;;;2.57;;0.44;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM389719;MM389719;C#CC(=C)C(NC)C(=C)C;HIVUXGWQYSLQHR-UHFFFAOYSA-N;135.21;1.34;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_N0";;;;;;;1.17;;-2.36;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM389720;MM389720;CN=C(CCF)NCCF;CEMMVRVZSUUBOU-UHFFFAOYSA-N;150.17;0.93;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1_C5";;;;;;;0.81;;-3.66;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM389721;MM389721;C#CC(=O)C(OC)C(N)=O;SXYGHYSSOBMQID-UHFFFAOYSA-N;141.13;-1.31;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_P1";;;;;;;-1.06;;-3.82;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM389722;MM389722;NN=C(CCO)NCCO;AGTYFWVKZXWBPW-UHFFFAOYSA-N;147.18;-1.78;;;;;DOPC;MDCG;27;1;"MARTINI bead: P3_P1";;;;;;;-1.93;;-5.81;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM389723;MM389723;C#CC(=O)C(OC)C(=C)F;HIYFBSCIACDVNE-UHFFFAOYSA-N;142.13;0.69;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_C5";;;;;;;0.81;;-0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM389724;MM389724;CC1(C)CC1C1CC1(C)O;QZFUZAQANYPVLE-UHFFFAOYSA-N;140.23;1.8;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC4_SNda";;;;;;;2.2;;0.49;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM389725;MM389725;C#CC(=C)N(NC)C(=N)N;URHAQEMZLRHDKZ-UHFFFAOYSA-N;138.17;-0.54;;;;;DOPC;MDCG;27;1;"MARTINI bead: P4_N0";;;;;;;-0.88;;-7.02;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM389726;MM389726;CNC(COC)=NCCF;AWOPSCJMIOBMJH-UHFFFAOYSA-N;148.18;0.22;;;;;DOPC;MDCG;27;1;"MARTINI bead: P2_C5";;;;;;;0.54;;-3.53;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM389727;MM389727;CCCc1ccc(N)[nH]1;GQSDRTOIFRXEMF-UHFFFAOYSA-N;124.19;1.55;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC4_SP1";;;;;;;1.37;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM389728;MM389728;COCC(=NO)NCCF;AKZFCJXXTFDPPC-UHFFFAOYSA-N;150.15;-0.02;;;;;DOPC;MDCG;27;0;"MARTINI bead: P3_C5";;;;;;;-0.33;;-2.01;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM389729;MM389729;C#CC(=O)N(NC)C(=N)N;IPIAUWUFWJZIRI-UHFFFAOYSA-N;140.15;-1.52;;;;;DOPC;MDCG;27;1;"MARTINI bead: P4_P1";;;;;;;-2.01;;-6.5;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM389730;MM389730;CCON=C(CCN)NC;DDXKDKSLEHXVLY-UHFFFAOYSA-N;145.21;-0.1;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nda_P2";;;;;;;-0.24;;-4.41;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM389731;MM389731;Cc1cn(N)c(=NN)o1;RGMYUXPWENKBBO-UHFFFAOYSA-N;128.14;-1.12;;;;;DOPC;MDCG;27;0;"MARTINI bead: SN0_SP2";;;;;;;0.06;;-2.21;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM389732;MM389732;CC#CCCC(C)(C)CO;XRMUSUBYHXOIHM-UHFFFAOYSA-N;140.23;1.81;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4_C5";;;;;;;2.97;;0.45;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM389733;MM389733;C#CC(=C)N(OC)C(=N)N;AUVXBURJLXKLOX-UHFFFAOYSA-N;139.16;-0.11;;;;;DOPC;MDCG;27;1;"MARTINI bead: P3_N0";;;;;;;-0.8;;-5.4;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM389734;MM389734;C=CC1=CC(C)(O)C(=C)C1;QLYDWADRDAPWCG-UHFFFAOYSA-N;136.19;1.81;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNda_SC3";;;;;;;2.57;;0.44;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM389735;MM389735;C=CC(C(=C)C)C(=C)CN;ABVVLPPZKCFJSP-UHFFFAOYSA-N;137.23;1.88;;;;;DOPC;MDCG;27;1;"MARTINI bead: C1_P1";;;;;;;2.08;;-0.63;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM389736;MM389736;CN=C(NCCO)NNC;AAODSNSDINEYCZ-UHFFFAOYSA-N;146.19;-1.72;;;;;DOPC;MDCG;27;1;"MARTINI bead: P3_P1";;;;;;;-1.93;;-8.39;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM389737;MM389737;C=C(C)C(C#N)C(=C)CO;WIWXYLPSYRGHEC-UHFFFAOYSA-N;137.18;1.25;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4_P1";;;;;;;1.37;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM389738;MM389738;CNNC(=NN)NCCO;ODQLHGCNNREQAT-UHFFFAOYSA-N;147.18;-2.48;;;;;DOPC;MDCG;27;1;"MARTINI bead: P4_P1";;;;;;;-2.01;;-7.54;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM389739;MM389739;C=CC(C(=C)CC)C(=N)N;UXPILTXMKXLGQR-UHFFFAOYSA-N;138.21;1.69;;;;;DOPC;MDCG;27;1;"MARTINI bead: C1_P3";;;;;;;0.94;;-3.85;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM389740;MM389740;CN=C(NCCO)NOC;FQBBAKQMCBQWDB-UHFFFAOYSA-N;147.18;-1.29;;;;;DOPC;MDCG;27;1;"MARTINI bead: P2_P1";;;;;;;-1.06;;-6.34;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM389741;MM389741;C=CC(C(=C)CN)C(=N)N;TXBKCGJXLLDIQR-UHFFFAOYSA-N;139.2;0.24;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1_P1";;;;;;;-0.79;;-7.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM389742;MM389742;CONC(=NN)NCCO;RJEKFEIPBKKDGJ-UHFFFAOYSA-N;148.17;-2.05;;;;;DOPC;MDCG;27;1;"MARTINI bead: P3_P1";;;;;;;-1.93;;-5.76;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM389743;MM389743;C=C(CO)C(C=O)C(=N)N;KISZSKRXYIZHCK-UHFFFAOYSA-N;142.16;-0.71;;;;;DOPC;MDCG;27;1;"MARTINI bead: P3_Nda";;;;;;;-1.1;;-7.34;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM389744;MM389744;C=CC(=O)CC(C)=NN=C;AJGYRYKEHKJUHA-UHFFFAOYSA-N;138.17;1.21;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_Na";;;;;;;1.64;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM389745;MM389745;C=CC(C(=C)CO)C(N)=O;AKOIAMMZLSEAIT-UHFFFAOYSA-N;141.17;-0.18;;;;;DOPC;MDCG;27;0;"MARTINI bead: P3_C5";;;;;;;-0.33;;-2.01;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM389746;MM389746;CCNNC(=NN)NCC;HPDGOGUIWOJHQK-UHFFFAOYSA-N;145.21;-1.06;;;;;DOPC;MDCG;27;1;"MARTINI bead: P3_C5";;;;;;;-0.33;;-5.11;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM389747;MM389747;C=C(CC)C(C=O)C(N)=O;XBMICJDJXDUGKM-UHFFFAOYSA-N;141.17;0.25;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4_P3";;;;;;;0.23;;-1.03;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM389748;MM389748;CCNNC(=NN)NNC;VCKFQLIQKKXDHH-UHFFFAOYSA-N;146.2;-1.95;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1_P4";;;;;;;-2.01;;-7.61;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM389749;MM389749;C=C(F)C(C=O)C(=C)CC;JWLKUJHMMPIJEB-UHFFFAOYSA-N;142.17;2.25;;;;;DOPC;MDCG;27;0;"MARTINI bead: C3_Na";;;;;;;2.57;;0.45;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM389750;MM389750;CCNC(=NC)NOCC;SMQSCEXCBXMVRJ-UHFFFAOYSA-N;145.21;0.12;;;;;DOPC;MDCG;27;1;"MARTINI bead: C5_P1";;;;;;;0.81;;-3.69;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM389751;MM389751;C=CC(C(=C)C)C(=O)CF;HIDDQUBBKPZXRJ-UHFFFAOYSA-N;142.17;1.9;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1_P2";;;;;;;1.8;;0.4;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM389752;MM389752;CCONC(=NC)NNC;XKOLLTIHBVHSSM-UHFFFAOYSA-N;146.19;-0.76;;;;;DOPC;MDCG;27;1;"MARTINI bead: C5_P3";;;;;;;-0.33;;-4.55;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM389753;MM389753;C=C(C)C(C=O)C(=O)CO;UAJLCNHUCUNAGW-UHFFFAOYSA-N;142.15;-0.06;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_P2";;;;;;;-0.24;;-3.24;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM389754;MM389754;CCOC(=NC)NCCN;RUCFDRGGUUIKHW-UHFFFAOYSA-N;145.21;-0.44;;;;;DOPC;MDCG;27;1;"MARTINI bead: P4_C5";;;;;;;-0.41;;-3.79;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM389755;MM389755;C=CC(C(C)=O)C(=O)CO;HKNRDCJPGRRWKU-UHFFFAOYSA-N;142.15;-0.06;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_P2";;;;;;;-0.24;;-3.24;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM389756;MM389756;CCONC(=NC)OCC;QMCNKOGRGDRFFF-UHFFFAOYSA-N;146.19;0.55;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_C5";;;;;;;0.81;;-0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM389757;MM389757;NN=c1nncnc(=O)[nH]1;XBTGWJBWNNUSSR-UHFFFAOYSA-N;140.11;-2.67;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP4_SP4";;;;;;;-3.24;;-10.91;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM389758;MM389758;CC=C(CCC)OCOC;JUCYZRDUTRPKDT-UHFFFAOYSA-N;144.21;2.31;;;;;DOPC;MDCG;27;0;"MARTINI bead: C3_P1";;;;;;;1.74;;0.29;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM389759;MM389759;C=CC(C(=N)N)C(=O)CC;QWJMCNCCVRRSJM-UHFFFAOYSA-N;140.19;0.7;;;;;DOPC;MDCG;27;1;"MARTINI bead: Na_P1";;;;;;;0.04;;-6.09;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM389760;MM389760;COCOC(=CF)CCN;UCQQKTJSYIJFNZ-UHFFFAOYSA-N;149.17;0.77;;;;;DOPC;MDCG;27;1;"MARTINI bead: Na_P2";;;;;;;-0.24;;-5.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM389761;MM389761;C=CC(C(=N)N)C(=O)CO;SGMXHTKQMBKEAU-UHFFFAOYSA-N;142.16;-0.71;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1_P2";;;;;;;-1.06;;-7.3;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM389762;MM389762;CNCC(=CF)OCCO;UDMUMHVILFFFCB-UHFFFAOYSA-N;149.17;0.03;;;;;DOPC;MDCG;27;1;"MARTINI bead: P2_Na";;;;;;;-0.24;;-4.31;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM389763;MM389763;CCC(=O)C(C#N)C(=N)N;KZGMUHBNOFYYCG-UHFFFAOYSA-N;139.16;0.04;;;;;DOPC;MDCG;27;1;"MARTINI bead: C5_P3";;;;;;;-0.33;;-3.23;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM389764;MM389764;CC=C(COC)OCCN;XWUKTSJSZJFPCY-UHFFFAOYSA-N;145.2;0.51;;;;;DOPC;MDCG;27;1;"MARTINI bead: C4_P3";;;;;;;0.23;;-3.03;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM389765;MM389765;C=CC(C(=C)C)C(=N)NC;FHZLQYGWJZVUAH-UHFFFAOYSA-N;138.21;1.56;;;;;DOPC;MDCG;27;1;"MARTINI bead: P3_C1";;;;;;;0.94;;-3.93;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM389766;MM389766;COCC(=CF)OCCO;KHRYTHWIPHFBAV-UHFFFAOYSA-N;150.15;0.45;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_P1";;;;;;;0.04;;-2.54;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM389767;MM389767;C=CC(C(=C)C)C(=N)NN;JZCIPAQPJAQJTN-UHFFFAOYSA-N;139.2;0.81;;;;;DOPC;MDCG;27;1;"MARTINI bead: C1_P4";;;;;;;0.85;;-3.32;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM389768;MM389768;C#CCC(C=C)CC(C)O;WQBLEXQOUYMTMC-UHFFFAOYSA-N;138.21;1.58;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda_C3";;;;;;;2.57;;0.44;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM389769;MM389769;NN=c1oc(N)cn1N;ZIVODCXTJNBLRV-UHFFFAOYSA-N;129.12;-1.85;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP2_SP1";;;;;;;-1.06;;-3.82;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM389770;MM389770;NCCOC(CCO)=NO;WUMFAPWZZKAXSX-UHFFFAOYSA-N;148.16;-0.87;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1_P3";;;;;;;-1.93;;-7.26;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM389771;MM389771;OCCOC(CCO)=NO;KPUBPJITARDZRI-UHFFFAOYSA-N;149.15;-0.83;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_P3";;;;;;;-1.93;;-4.72;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM389772;MM389772;CNC(=O)C(C#N)C(C)=O;MHDSPHMMBNWNHK-UHFFFAOYSA-N;140.14;-0.54;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_Na";;;;;;;-0.24;;-3.24;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM389773;MM389773;COCOC(CCO)=NO;JGMDAHOKXRLXSB-UHFFFAOYSA-N;149.15;-0.22;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_P2";;;;;;;-1.06;;-3.82;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM389774;MM389774;C=C(OC)C(C#N)C(=N)N;RWRNTFNZCVAGNF-UHFFFAOYSA-N;139.16;0.22;;;;;DOPC;MDCG;27;1;"MARTINI bead: Na_P2";;;;;;;-0.24;;-4.76;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM389775;MM389775;CNCC(=NO)OCCN;HPNMXQBETRLRIV-UHFFFAOYSA-N;147.18;-1.03;;;;;DOPC;MDCG;27;1;"MARTINI bead: P3_P1";;;;;;;-1.93;;-7.08;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM389776;MM389776;C=CC(C(C)=O)C(=O)OC;CIKHHCBBRNKJIS-UHFFFAOYSA-N;142.15;0.55;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_N0";;;;;;;0.34;;-1.53;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM389777;MM389777;CC12CC(C=O)(CC1=O)N2;MLZRMXSPIBBMCW-UHFFFAOYSA-N;139.15;-0.35;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP1_SP1";;;;;;;-0.79;;-3.13;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM389778;MM389778;C=C(C)N(C=N)C(=C)CC;LCFLKODJLJVRDW-UHFFFAOYSA-N;138.21;2.35;;;;;DOPC;MDCG;27;1;"MARTINI bead: C5_Nd";;;;;;;1.64;;-3.07;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM389779;MM389779;CCNC(=NC)OCCN;BTGVHCWWMUWOHZ-UHFFFAOYSA-N;145.21;-0.44;;;;;DOPC;MDCG;27;1;"MARTINI bead: C5_P3";;;;;;;-0.33;;-3.6;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM389780;MM389780;C=CN(C(=C)CC)C(C)=N;PMXDBSNQYDTPFS-UHFFFAOYSA-N;138.21;2.35;;;;;DOPC;MDCG;27;1;"MARTINI bead: C5_Nd";;;;;;;1.64;;-4.07;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM389781;MM389781;C=C(CC=O)CC=NOC;CQXRVUXMFMTFOU-UHFFFAOYSA-N;141.17;1.15;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_Na";;;;;;;0.87;;-2.22;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM389782;MM389782;C=CN(C(=C)CN)C(C)=N;UAHDRTPJQCKMRQ-UHFFFAOYSA-N;139.2;0.9;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_P2";;;;;;;-0.24;;-7.03;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM389783;MM389783;CNNC(=NO)OCCN;TXRQVFWFAFDEJM-UHFFFAOYSA-N;148.17;-1.57;;;;;DOPC;MDCG;27;1;"MARTINI bead: P4_P1";;;;;;;-2.01;;-6.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM389784;MM389784;C=CN(C(=C)CN)C(C)=O;GJYDFOOFTNSAPK-UHFFFAOYSA-N;140.19;0.45;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nda_P2";;;;;;;-0.24;;-4.48;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM389785;MM389785;C=CC#CCC(C)C(C)O;JGMFPKIQMXHYIG-UHFFFAOYSA-N;138.21;1.58;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda_C4";;;;;;;2.2;;0.49;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM389786;MM389786;C=C(CF)N(C=N)C(C)=O;DSGZNADJZKLKSP-UHFFFAOYSA-N;144.15;0.93;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_Na";;;;;;;0.04;;-2.54;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM389787;MM389787;CN=C(NOC)OCCN;MBOQIZMIDBEJBG-UHFFFAOYSA-N;147.18;-0.9;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1_P1";;;;;;;-0.79;;-4.56;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM389788;MM389788;C=C(CO)N(C=O)C(C)=O;IHRFEBJHNRZIKA-UHFFFAOYSA-N;143.14;-0.5;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_Nda";;;;;;;-0.24;;-3.31;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM389789;MM389789;C=CC#CCC(O)C(C)C;HHAHVXVTGDLBFW-UHFFFAOYSA-N;138.21;1.58;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda_C4";;;;;;;2.2;;0.49;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM389790;MM389790;C=C(CF)N(C=O)C(C)=O;QIVUWYQICANVIT-UHFFFAOYSA-N;145.13;0.47;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_P1";;;;;;;0.04;;-2.54;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM389791;MM389791;C=CCNN=C(C)C(C)=O;XTZFNSGJXXAHIZ-UHFFFAOYSA-N;140.19;0.73;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_Nd";;;;;;;0.87;;-1.88;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM389792;MM389792;C=CN(C(=C)CC)C(=N)N;VZLUPWVKPZXSKZ-UHFFFAOYSA-N;139.2;1.25;;;;;DOPC;MDCG;27;1;"MARTINI bead: C4_P3";;;;;;;0.23;;-5.41;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM389793;MM389793;CONC(=NO)OCCN;NRLMQXUPZLLUDU-UHFFFAOYSA-N;149.15;-1.14;;;;;DOPC;MDCG;27;1;"MARTINI bead: P2_P2";;;;;;;-1.34;;-5.72;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM389794;MM389794;C=CN(C(=C)CN)C(=N)N;IQAXGHYXADZKTP-UHFFFAOYSA-N;140.19;-0.2;;;;;DOPC;MDCG;27;1;"MARTINI bead: P2_P1";;;;;;;-1.06;;-8.4;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM389795;MM389795;CONC(=NO)OCCO;UNAVZNORYLQCQD-UHFFFAOYSA-N;150.13;-1.11;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_P1";;;;;;;-1.06;;-3.82;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM389796;MM389796;C=CN(C(=C)CO)C(=N)N;SIKAIKMPZRRWSP-UHFFFAOYSA-N;141.17;-0.17;;;;;DOPC;MDCG;27;1;"MARTINI bead: P3_Nda";;;;;;;-1.1;;-7.87;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM389797;MM389797;CONC(=NO)OCCF;HXFMPDSQVFOSMU-UHFFFAOYSA-N;152.13;-0.13;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_Na";;;;;;;-0.24;;-3.24;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM389798;MM389798;C=C(CC)N(C=N)C(=N)N;ZIGATBKIOOTNEJ-UHFFFAOYSA-N;140.19;0.71;;;;;DOPC;MDCG;27;1;"MARTINI bead: C5_P3";;;;;;;-0.33;;-5.64;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM389799;MM389799;C#CCC1(O)CC1C=CC;RORFADQWZXHQJW-UHFFFAOYSA-N;136.19;1.34;;;;;DOPC;MDCG;27;0;"MARTINI bead: C2_SNda";;;;;;;2.83;;0.57;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM389800;MM389800;C=C(CO)N(C=N)C(=N)N;UEHNRHOAGTVVQO-UHFFFAOYSA-N;142.16;-0.71;;;;;DOPC;MDCG;27;1;"MARTINI bead: P4_Nda";;;;;;;-1.19;;-7.73;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM389801;MM389801;C=COC(=CC=O)NN=C;YMOSAXKQRPBTGE-UHFFFAOYSA-N;140.14;0.39;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda_Na";;;;;;;0.87;;-1.99;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM389802;MM389802;C=C(CC)N(C=O)C(=N)N;ZEYBXLJTUSAISA-UHFFFAOYSA-N;141.17;0.26;;;;;DOPC;MDCG;27;1;"MARTINI bead: C5_P3";;;;;;;-0.33;;-3.85;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM389803;MM389803;CCC(C)(CC)C(C)CO;VAXORPXAEVUYTE-UHFFFAOYSA-N;144.26;2.44;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1_Nda";;;;;;;2.91;;0.57;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM389804;MM389804;C=CN(C(=C)CN)C(N)=O;TXPZUGMLQQRNBZ-UHFFFAOYSA-N;141.17;-0.02;;;;;DOPC;MDCG;27;1;"MARTINI bead: P2_Nda";;;;;;;-0.24;;-4.48;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM389805;MM389805;CCCOC(=NO)OCC;NANSXQAAFBNQGO-UHFFFAOYSA-N;147.17;1.19;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_Nda";;;;;;;0.87;;-1.99;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM389806;MM389806;C=CN(C(=C)CF)C(N)=O;LREXDWUOQYAGOQ-UHFFFAOYSA-N;144.15;0.99;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda_Na";;;;;;;0.87;;-1.99;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM389807;MM389807;CC=C(CCC)CCC=O;BWEWUZIPASOMMS-UHFFFAOYSA-N;140.23;2.71;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1_Na";;;;;;;2.91;;0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM389808;MM389808;NN=c1oc(F)cn1N;BYVRJKFDFBGTOL-UHFFFAOYSA-N;132.1;-1.29;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP2_SNa";;;;;;;-0.24;;-3.24;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM389809;MM389809;CC=C(CCF)CCC=O;GKXLAYGRXBCLQW-UHFFFAOYSA-N;144.19;2.27;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1_Na";;;;;;;2.91;;0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM389810;MM389810;C=C(CF)N(C=O)C(N)=O;MGCKYYBFCVEUSW-UHFFFAOYSA-N;146.12;0.01;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_Na";;;;;;;-0.24;;-3.24;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM389811;MM389811;C=CCCC(=CF)CCN;NBLFJHBZWNSSAA-UHFFFAOYSA-N;143.21;2.15;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nda_C4";;;;;;;2.2;;-2;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM389812;MM389812;C=C(C)N(C=O)C(=N)CC;IRGSINVUUBRLOW-UHFFFAOYSA-N;140.19;1.37;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_P2";;;;;;;0.54;;-1.09;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM389813;MM389813;O=CCCC(=CF)CCF;BPGZMRQCNXHIQZ-UHFFFAOYSA-N;148.15;2.18;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_C5";;;;;;;1.64;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM389814;MM389814;Cc1nn(C)c(=NN)o1;BUUWQRVLPJGFIZ-UHFFFAOYSA-N;128.14;-0.9;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP1_SP3";;;;;;;-1.93;;-4.72;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM389815;MM389815;C=CCCC(=CC)CNC;OOZARMLKGMNLFN-UHFFFAOYSA-N;139.24;2.12;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_C4";;;;;;;2.2;;-1.86;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM389816;MM389816;CCC(=N)N(C=O)C(C)=N;FBKVYIGAVZLQCT-UHFFFAOYSA-N;141.17;0.83;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_Nd";;;;;;;-0.24;;-3.16;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM389817;MM389817;CC=C(CCC=O)CNC;YQDJOKSPFQLZDK-UHFFFAOYSA-N;141.21;1.13;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_Na";;;;;;;0.87;;-4.22;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM389818;MM389818;CC(=N)N(C=O)C(=N)CF;ALJFNSJXHBBIEG-UHFFFAOYSA-N;145.14;0.39;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nd_P2";;;;;;;-0.24;;-3.16;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM389819;MM389819;C=CCCC(=CF)CNC;ATNAJCBIZJYDST-UHFFFAOYSA-N;143.21;2.03;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nda_C4";;;;;;;2.2;;-1.24;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM389820;MM389820;CC(=O)N(C=N)C(=N)CF;OJUDPRPKOSZJKW-UHFFFAOYSA-N;145.14;0.39;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_P2";;;;;;;-0.24;;-3.24;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM389821;MM389821;CCCC(CCC#N)=NO;ARVRRGXUQJHKFJ-UHFFFAOYSA-N;140.19;1.92;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_P1";;;;;;;0.81;;-0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM389822;MM389822;CCC(=N)N(C=O)C(C)=O;NMJWYBKQURLBFR-UHFFFAOYSA-N;142.16;0.38;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_P3";;;;;;;-0.33;;-2.01;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM389823;MM389823;CC=C(CCN)CNC=O;FSQXFTLEGNRTNP-UHFFFAOYSA-N;142.2;0.03;;;;;DOPC;MDCG;27;1;"MARTINI bead: C5_P3";;;;;;;-0.33;;-4.42;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM389824;MM389824;C=CN(C(=N)N)C(=N)CC;JFTLUERAVDSBPN-UHFFFAOYSA-N;140.19;0.71;;;;;DOPC;MDCG;27;1;"MARTINI bead: C5_P3";;;;;;;-0.33;;-5.72;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM389825;MM389825;CC=C(CCF)CNC=N;JAXUASNXOCMYFX-UHFFFAOYSA-N;144.19;1.49;;;;;DOPC;MDCG;27;1;"MARTINI bead: C3_P3";;;;;;;0.6;;-4.49;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM389826;MM389826;C=CN(C(=N)N)C(=N)CO;CGCAARZWXPCLIJ-UHFFFAOYSA-N;142.16;-0.71;;;;;DOPC;MDCG;27;1;"MARTINI bead: N0_P4";;;;;;;-0.88;;-6.69;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM389827;MM389827;C=CC(=C)C1CC1(O)C=C;CMJGCTCCYYMBIB-UHFFFAOYSA-N;136.19;1.67;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNda_C3";;;;;;;2.57;;0.44;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM389828;MM389828;N=CN(C(=N)N)C(=N)CN;XYXSXOJWTRAJHT-UHFFFAOYSA-N;142.17;-1.28;;;;;DOPC;MDCG;27;1;"MARTINI bead: P2_P3";;;;;;;-2.2;;-7.66;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM389829;MM389829;CCCC(=CF)CNC=N;HWFGOUSFRLRJSX-UHFFFAOYSA-N;144.19;1.84;;;;;DOPC;MDCG;27;1;"MARTINI bead: C1_P3";;;;;;;0.94;;-3.53;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM389830;MM389830;N=CN(C(=N)N)C(=N)CF;QAODFDIRHTWJFW-UHFFFAOYSA-N;145.14;-0.26;;;;;DOPC;MDCG;27;1;"MARTINI bead: P3_Na";;;;;;;-1.1;;-6.36;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM389831;MM389831;N=CNCC(=CF)CCF;XUMDNPSMBZESOI-UHFFFAOYSA-N;148.16;1.4;;;;;DOPC;MDCG;27;1;"MARTINI bead: C4_P3";;;;;;;0.23;;-4.8;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM389832;MM389832;Cn1nc(F)oc1=NN;ROHFVXPEWDYYTP-UHFFFAOYSA-N;132.1;-1.07;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP1_SP3";;;;;;;-1.93;;-4.72;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM389833;MM389833;O=CNCC(=CF)CCF;HEJXAVAUEHPSCN-UHFFFAOYSA-N;149.14;0.95;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4_P3";;;;;;;0.23;;-1.03;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM389834;MM389834;N=C(CF)N(C=O)C(N)=O;LYXTVBTVVKQMAX-UHFFFAOYSA-N;147.11;-0.53;;;;;DOPC;MDCG;27;0;"MARTINI bead: P4_Na";;;;;;;-1.19;;-4.76;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM389835;MM389835;C=NNCC(=CC)CCC;IWPTUNVZULIEFH-UHFFFAOYSA-N;140.23;1.94;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1_P2";;;;;;;1.8;;0.41;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM389836;MM389836;CCC(=O)N(C=N)C(C)=O;JGZWDEFXCLRXRC-UHFFFAOYSA-N;142.16;0.38;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_P3";;;;;;;-0.33;;-2.01;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM389837;MM389837;C=NNCC(=CC)CCN;JWGDOVOHXKVCBO-UHFFFAOYSA-N;141.22;0.49;;;;;DOPC;MDCG;27;1;"MARTINI bead: C5_P2";;;;;;;0.54;;-3.82;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM389838;MM389838;CC(=O)N(C=N)C(=O)CF;ABYQNCIYRGZLKD-UHFFFAOYSA-N;146.12;-0.06;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_P2";;;;;;;-0.24;;-3.24;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM389839;MM389839;CC=C(CNC)CNC=N;FMOVTXNCSAMKSW-UHFFFAOYSA-N;141.22;0.35;;;;;DOPC;MDCG;27;1;"MARTINI bead: C5_P3";;;;;;;-0.33;;-5.75;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM389840;MM389840;CC(=O)N(C=O)C(=O)CO;FNLDWUWYEAQUPR-UHFFFAOYSA-N;145.11;-1.49;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_P4";;;;;;;-1.19;;-4.76;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM389841;MM389841;C=NNCC(=CC)CNC;FTSGTOISHRGUIG-UHFFFAOYSA-N;141.22;0.36;;;;;DOPC;MDCG;27;1;"MARTINI bead: C5_P2";;;;;;;0.54;;-3.14;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM389842;MM389842;CC(=O)N(C=O)C(=O)CF;PLIKCHUHDFCSAE-UHFFFAOYSA-N;147.11;-0.51;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_Na";;;;;;;-0.24;;-3.24;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM389843;MM389843;C=NNCC(=CF)CNC;HAJQICMTQFOUAW-UHFFFAOYSA-N;145.18;0.26;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nda_P2";;;;;;;-0.24;;-4.93;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM389844;MM389844;Cc1coc(=NN)n1N;PVAKYSBTCPKEMZ-UHFFFAOYSA-N;128.14;-1.12;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP1_SP1";;;;;;;-0.79;;-3.13;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM389845;MM389845;CC=C(CNC=N)COC;JUEWCQNXHLRRNY-UHFFFAOYSA-N;142.2;0.78;;;;;DOPC;MDCG;27;1;"MARTINI bead: C4_P3";;;;;;;0.23;;-4.81;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM389846;MM389846;NN=c1occ(N)n1N;WCAGEYUSGBWIBK-UHFFFAOYSA-N;129.12;-1.85;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP1_SP3";;;;;;;-1.93;;-4.72;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM389847;MM389847;C=CC1C=CC(O)(C=C)C1;DSOWVBFMWLYFOZ-UHFFFAOYSA-N;136.19;1.67;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNda_SC4";;;;;;;2.2;;0.49;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM389848;MM389848;C=CN(C(N)=O)C(=O)CF;GMZJCUNTDCQRPX-UHFFFAOYSA-N;146.12;0.01;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_Na";;;;;;;-0.24;;-3.24;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM389849;MM389849;C=NNCC(=CF)COC;SSVLFIUITGBMBK-UHFFFAOYSA-N;146.17;0.69;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_Nda";;;;;;;0.04;;-2.73;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM389850;MM389850;N=CN(C(N)=O)C(=O)CO;FLXRYVYYINNLDE-UHFFFAOYSA-N;145.12;-1.51;;;;;DOPC;MDCG;27;0;"MARTINI bead: P4_P2";;;;;;;-2.29;;-5.95;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM389851;MM389851;C=CC1=CC(O)(C=C)CC1;PAHOLKZHEDSVNC-UHFFFAOYSA-N;136.19;1.81;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNda_SC3";;;;;;;2.57;;0.44;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM389852;MM389852;N=CN(C(N)=O)C(=O)CF;FAMZUNLTYSJDTQ-UHFFFAOYSA-N;147.11;-0.53;;;;;DOPC;MDCG;27;0;"MARTINI bead: P4_Na";;;;;;;-1.19;;-4.76;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM389853;MM389853;CCCC(CNC=N)=NO;ZPMZVRYWOOAOHV-UHFFFAOYSA-N;143.19;0.81;;;;;DOPC;MDCG;27;1;"MARTINI bead: C5_P3";;;;;;;-0.33;;-5.74;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM389854;MM389854;NC(=O)N(C=O)C(=O)CF;ZWDLKYPPRHTWAB-UHFFFAOYSA-N;148.09;-0.98;;;;;DOPC;MDCG;27;0;"MARTINI bead: P3_Na";;;;;;;-1.1;;-4.2;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM389855;MM389855;CCCC(CNC=O)=NO;XPMMSYIOOVMMNP-UHFFFAOYSA-N;144.17;0.36;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_P3";;;;;;;-0.33;;-2.01;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM389856;MM389856;C=C(C)N(C=N)C(=N)NN;VQZLUKJFNBAYGR-UHFFFAOYSA-N;141.18;-0.17;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_P4";;;;;;;-1.19;;-7.89;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM389857;MM389857;O=CNCC(CCO)=NO;CPUFJSJDNUMTLM-UHFFFAOYSA-N;146.15;-1.06;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_P3";;;;;;;-2.2;;-5.19;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM389858;MM389858;C=CN(C(C)=N)C(=N)NO;BYORCGIREUMURF-UHFFFAOYSA-N;142.16;0.34;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_P4";;;;;;;-1.19;;-7.1;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM389859;MM389859;C=NNCC(CCC)=NN;ULQAPURENRPNCA-UHFFFAOYSA-N;142.21;0.31;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_P2";;;;;;;0.54;;-1.09;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM389860;MM389860;CNC(=N)N(C=N)C(C)=N;ZEAZBSDPZFLNCJ-UHFFFAOYSA-N;141.18;0.05;;;;;DOPC;MDCG;27;1;"MARTINI bead: P3_Nd";;;;;;;-1.1;;-6.78;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM389861;MM389861;C=NNCC(CCN)=NO;AWLBUVVFFUVQFV-UHFFFAOYSA-N;144.18;-0.63;;;;;DOPC;MDCG;27;1;"MARTINI bead: P2_P2";;;;;;;-1.34;;-6.96;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM389862;MM389862;CC(=N)N(C=N)C(=N)NN;OWJGOIDXTHUACL-UHFFFAOYSA-N;142.17;-0.71;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_P4";;;;;;;-1.19;;-6.97;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM389863;MM389863;COCC(CNC=N)=NN;QQBMVVKXVDCZFE-UHFFFAOYSA-N;144.18;-0.86;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nda_P3";;;;;;;-1.1;;-7.33;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM389864;MM389864;NN=c1occ(F)n1N;YPRLRODPKLHRNF-UHFFFAOYSA-N;132.1;-1.29;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP1_SP1";;;;;;;-0.79;;-3.13;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM389865;MM389865;C=CC(O)CC1(C=C)CC1;JKEHQNRYWMLARL-UHFFFAOYSA-N;138.21;1.89;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda_SC4";;;;;;;2.2;;0.49;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM389866;MM389866;CNC(=N)N(C=O)C(=N)N;UFEMMVLZVBIQNI-UHFFFAOYSA-N;143.15;-1.51;;;;;DOPC;MDCG;27;1;"MARTINI bead: P2_P3";;;;;;;-2.2;;-6.77;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM389867;MM389867;CC=C(CCF)COC=O;JVJIZJUFLLQIDL-UHFFFAOYSA-N;146.16;1.47;;;;;DOPC;MDCG;27;0;"MARTINI bead: C3_P1";;;;;;;1.74;;0.29;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM389868;MM389868;CNC(=N)N(C=N)C(N)=O;RYDCCTAMXOITAV-UHFFFAOYSA-N;143.15;-0.87;;;;;DOPC;MDCG;27;1;"MARTINI bead: P2_P3";;;;;;;-2.2;;-6.79;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM389869;MM389869;O=COCC(=CF)CCF;YTTSNZLBGYMKLG-UHFFFAOYSA-N;150.12;1.37;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_P1";;;;;;;0.81;;-0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM389870;MM389870;Cc1noc(=NN)n1C;WLBPGLPYKIFODK-UHFFFAOYSA-N;128.14;-0.9;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNa_SP2";;;;;;;-0.24;;-3.24;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM389871;MM389871;C=COCC(=CF)CNC;ZRZIKDOJEZFKPS-UHFFFAOYSA-N;145.18;1.22;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nda_Na";;;;;;;0.87;;-3.77;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM389872;MM389872;Cn1c(N)noc1=NN;JBBFYOAMSTVFJQ-UHFFFAOYSA-N;129.12;-1.63;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP2_SP1";;;;;;;-1.06;;-3.82;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM389873;MM389873;C=NOCC(=CC)CNC;IHBAHJAGDOXNDL-UHFFFAOYSA-N;142.2;0.78;;;;;DOPC;MDCG;27;1;"MARTINI bead: C5_P1";;;;;;;0.81;;-2.69;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM389874;MM389874;C=CN(C(=C)C)C(=O)NO;JZXKJQRPJFNBCF-UHFFFAOYSA-N;142.16;1.06;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4_P3";;;;;;;0.23;;-1.03;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM389875;MM389875;CCCC(COC=O)=NN;UOVWIPFCBXKIMI-UHFFFAOYSA-N;144.17;0.27;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_P1";;;;;;;0.81;;-0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM389876;MM389876;COC(=NN)NOC=O;LOKYMGPTPILLBA-UHFFFAOYSA-N;133.11;-1.46;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_P2";;;;;;;-1.06;;-3.82;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM389877;MM389877;C=NOCC(CCF)=NN;UHLJWQXPMPVLQJ-UHFFFAOYSA-N;147.15;0.29;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda_P1";;;;;;;0.04;;-2.73;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM389878;MM389878;C=CN(C(C)=N)C(=O)NO;UKQNOUAYEMYXIT-UHFFFAOYSA-N;143.15;0.53;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nd_P4";;;;;;;-1.19;;-4.91;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM389879;MM389879;O=c1nnc(O)c(F)o1;KXZADKSUDDMRJV-UHFFFAOYSA-N;132.05;-0.73;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP3_SP2";;;;;;;-2.2;;-9.02;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM389880;MM389880;C=CC(C=O)C=NN=C;MNKAWACLNHYKTQ-UHFFFAOYSA-N;124.14;0.67;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_N0";;;;;;;1.17;;-1.18;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM389881;MM389881;C=NOCC(COC)=NN;VVWUWORZOIZJJS-UHFFFAOYSA-N;145.16;-0.42;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda_P1";;;;;;;0.04;;-2.73;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM389882;MM389882;CNC(=O)N(C=O)C(C)=N;AFIBWTCLOYPXBU-UHFFFAOYSA-N;143.15;-0.22;;;;;DOPC;MDCG;27;0;"MARTINI bead: P3_Nd";;;;;;;-1.1;;-3.93;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM389883;MM389883;CCN=C(CCC#N)NC;CPZIIDHQLXPNDH-UHFFFAOYSA-N;139.2;0.93;;;;;DOPC;MDCG;27;1;"MARTINI bead: C5_P1";;;;;;;0.81;;-4.71;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM389884;MM389884;CC(=O)N(C=N)C(=O)NO;WJCLHXYYXVJFHX-UHFFFAOYSA-N;145.12;-0.46;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_P4";;;;;;;-1.19;;-4.76;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM389885;MM389885;CCN=C(CCC#N)NO;IWAGQHPMELEKRE-UHFFFAOYSA-N;141.17;0.69;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nda_P1";;;;;;;0.04;;-4.07;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM389886;MM389886;CC(=O)N(C=O)C(=O)NN;WKMWYVGUYGAUDZ-UHFFFAOYSA-N;145.12;-1.43;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_P4";;;;;;;-1.19;;-4.76;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM389887;MM389887;CNN=C(CNC=N)NN;COMKSFLAVQLWFM-UHFFFAOYSA-N;144.18;-1.82;;;;;DOPC;MDCG;27;1;"MARTINI bead: P2_P4";;;;;;;-2.29;;-8.86;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM389888;MM389888;CC(=O)N(C=O)C(=O)NO;BRUGMWSHXZYTCN-UHFFFAOYSA-N;146.1;-0.91;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_P4";;;;;;;-1.19;;-4.76;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM389889;MM389889;CNN=C(CNC=N)NO;UVLWYVSMWUTNGG-UHFFFAOYSA-N;145.17;-1.31;;;;;DOPC;MDCG;27;1;"MARTINI bead: P2_P4";;;;;;;-2.29;;-8.84;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM389890;MM389890;CNC(=O)N(C=N)C(=N)N;SRLBYGGVRCSGDN-UHFFFAOYSA-N;143.15;-0.87;;;;;DOPC;MDCG;27;1;"MARTINI bead: P2_P3";;;;;;;-2.2;;-6.54;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM389891;MM389891;C#CC(=C)C(C)C(O)C=C;QKYVRJIOGZRFMN-UHFFFAOYSA-N;136.19;1.36;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_N0";;;;;;;1.94;;0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM389892;MM389892;CNN=CC(=NN)NN;XMFAFNISJFXLQT-UHFFFAOYSA-N;130.16;-2.07;;;;;DOPC;MDCG;27;0;"MARTINI bead: P3_P1";;;;;;;-1.93;;-4.72;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM389893;MM389893;CCON=C(C)C(C)C#N;GOFSWWOUHDEXTD-UHFFFAOYSA-N;140.19;1.56;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_C5";;;;;;;0.81;;-0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM389894;MM389894;N=CN(C(N)=O)C(=O)NO;YGCJLXVXJNWUJM-UHFFFAOYSA-N;146.11;-0.93;;;;;DOPC;MDCG;27;0;"MARTINI bead: P4_P2";;;;;;;-2.29;;-5.95;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM389895;MM389895;C=CC#CCCC(O)CC;RBNASHQPQFTISZ-UHFFFAOYSA-N;138.21;1.73;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda_C4";;;;;;;2.2;;0.49;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM389896;MM389896;CNC(=O)N(C=O)C(N)=O;MOEYBXDIEZEXOM-UHFFFAOYSA-N;145.12;-1.14;;;;;DOPC;MDCG;27;0;"MARTINI bead: P3_P2";;;;;;;-2.2;;-5.19;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM389897;MM389897;CNC(CNC=N)=NOC;FKQOIFSBYDPYDS-UHFFFAOYSA-N;144.18;-0.64;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nda_P3";;;;;;;-1.1;;-7.07;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM389898;MM389898;C=C(OC)N(C=O)C(C)=N;NBIWHMCBGGSYEQ-UHFFFAOYSA-N;142.16;0.56;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda_P2";;;;;;;-0.24;;-3.31;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM389899;MM389899;CC=NN=CNC(=N)CF;ONAUHRIUDXZEBE-UHFFFAOYSA-N;144.15;0.56;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_P2";;;;;;;0.54;;-1.09;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM389900;MM389900;C=CN(C(=C)OC)C(C)=O;AEQCSDNHOYMQKD-UHFFFAOYSA-N;141.17;1.1;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda_Na";;;;;;;0.87;;-1.99;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM389901;MM389901;CON=C(CNC=N)NN;JIFPMZPHXWWEAC-UHFFFAOYSA-N;145.17;-1.39;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1_P3";;;;;;;-1.93;;-7.79;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM389902;MM389902;C=C(OC)N(C=N)C(C)=O;DBCGQSOOWMQMMZ-UHFFFAOYSA-N;142.16;0.56;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda_P2";;;;;;;-0.24;;-3.31;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM389903;MM389903;CC=NN=CNC(=N)OC;YDMLMVPDLCCQMP-UHFFFAOYSA-N;142.16;0.19;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_C5";;;;;;;0.54;;-1.09;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM389904;MM389904;C=C(OC)N(C=O)C(C)=O;DLNRUPBQRFHIKC-UHFFFAOYSA-N;143.14;0.11;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_Na";;;;;;;0.04;;-2.54;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM389905;MM389905;CON=C(CNC=N)NO;XHJCUCAPUHFDOS-UHFFFAOYSA-N;146.15;-0.88;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1_P3";;;;;;;-1.93;;-7.77;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM389906;MM389906;C=C(OC)N(C=N)C(=N)N;GDUYBWIPIQTWEJ-UHFFFAOYSA-N;142.16;-0.09;;;;;DOPC;MDCG;27;1;"MARTINI bead: Na_P4";;;;;;;-1.19;;-8.09;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM389907;MM389907;CC=CCCCC1(O)CC1;PAOMQSCPPLUNTF-UHFFFAOYSA-N;140.23;2.26;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1_SNda";;;;;;;2.91;;0.57;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM389908;MM389908;CCC1ONC(=NN)O1;BYNYKRWPHBZCIF-UHFFFAOYSA-N;131.14;-0.5;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP1_SP2";;;;;;;-1.06;;-3.82;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM389909;MM389909;CNN=C(C=NOC)NN;IIOVPKWZOLGWQD-UHFFFAOYSA-N;145.17;-1.39;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_P2";;;;;;;-1.34;;-4.31;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM389910;MM389910;COC(=N)N(C=N)C(C)=N;PIJQPPWDGVVITA-UHFFFAOYSA-N;142.16;0.47;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_Nd";;;;;;;-0.24;;-3.16;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM389911;MM389911;CNN=C(CF)N=CNN;YFMHSBIFOPWAHT-UHFFFAOYSA-N;147.16;-1.02;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda_P4";;;;;;;-1.19;;-4.91;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM389912;MM389912;COC(=O)N(C=O)C(C)=O;HJBGWSGFDPUMLJ-UHFFFAOYSA-N;145.11;-0.24;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_Na";;;;;;;-0.24;;-3.24;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM389913;MM389913;C=COCC(=NCC)NN;MKUIXTIJUSHFLC-UHFFFAOYSA-N;143.19;0.03;;;;;DOPC;MDCG;27;1;"MARTINI bead: C5_P1";;;;;;;0.81;;-1.84;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM389914;MM389914;COC(=O)N(C=O)C(=N)N;RFLHSNLRVFEWNA-UHFFFAOYSA-N;145.12;-0.9;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_P2";;;;;;;-1.34;;-4.31;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM389915;MM389915;CC#CCC(C=O)=C(N)N;PUBAGVWMBCMUEG-UHFFFAOYSA-N;138.17;-0.27;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4_P3";;;;;;;0.23;;-1.03;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM389916;MM389916;C=NN(C(=C)CN)C(=N)N;NXNRXPUAQOVJJG-UHFFFAOYSA-N;141.18;-0.73;;;;;DOPC;MDCG;27;1;"MARTINI bead: P2_P2";;;;;;;-1.34;;-6.85;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM389917;MM389917;CC#CC1CN=C(NN)O1;GAKRKEQCBRPENL-UHFFFAOYSA-N;139.16;-0.77;;;;;DOPC;MDCG;27;0;"MARTINI bead: SN0_SP2";;;;;;;0.06;;-2.21;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM389918;MM389918;C=CC1ONC(=NN)O1;QRTQNBQDOFXFAV-UHFFFAOYSA-N;129.12;-0.72;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP2_SP1";;;;;;;-1.06;;-3.82;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM389919;MM389919;C=CC1CC2CC2(CO)C1;RPLYRHIMDLPYTK-UHFFFAOYSA-N;138.21;1.58;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNda_SC2";;;;;;;2.83;;0.57;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM389920;MM389920;C=NN=CC1NC1C=O;RSTQWHQARYBZMD-UHFFFAOYSA-N;125.13;-0.79;;;;;DOPC;MDCG;27;0;"MARTINI bead: N0_SP2";;;;;;;0.06;;-2.21;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM389921;MM389921;C=C1C(C)CC2(CO)CC12;SZCOKYLFNKLYHA-UHFFFAOYSA-N;138.21;1.58;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNda_SC3";;;;;;;2.57;;0.44;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM389922;MM389922;C=NN(C(=N)CF)C(C)=O;WABMCHKWJLRMIO-UHFFFAOYSA-N;145.14;0.4;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_P1";;;;;;;0.04;;-2.54;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM389923;MM389923;CCOC(CCC#N)=NO;PZLRGQSSMKOZNN-UHFFFAOYSA-N;142.16;1.11;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda_P1";;;;;;;0.04;;-2.73;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM389924;MM389924;C=NN(C(=N)N)C(=N)CC;YYDMNCXDSPXSCQ-UHFFFAOYSA-N;141.18;0.18;;;;;DOPC;MDCG;27;1;"MARTINI bead: C5_P3";;;;;;;-0.33;;-3.57;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM389925;MM389925;CC=C(CNC=N)OCC;LUYLZHKWILIGFL-UHFFFAOYSA-N;142.2;1.12;;;;;DOPC;MDCG;27;1;"MARTINI bead: C3_P3";;;;;;;0.6;;-4.04;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM389926;MM389926;C=NN(C(=N)N)C(=N)CN;SBPCMCUQDVWRDJ-UHFFFAOYSA-N;142.17;-1.27;;;;;DOPC;MDCG;27;1;"MARTINI bead: P2_P3";;;;;;;-2.2;;-6.62;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM389927;MM389927;C=CC12CC(O)C(=C)C1C2;ZQJDECXPUIFUGJ-UHFFFAOYSA-N;136.19;1.5;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC4_SNda";;;;;;;2.2;;0.49;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM389928;MM389928;C=CC#CC(=O)C1CN1;SIIJOOJCIMDXEK-UHFFFAOYSA-N;121.14;-0.28;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_SP2";;;;;;;-0.24;;-3.24;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM389929;MM389929;CCOC(=CF)CNC=O;UUPQJAAHVMOPNB-UHFFFAOYSA-N;147.15;0.58;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4_P3";;;;;;;0.23;;-1.03;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM389930;MM389930;C=C1C(=C)C2CC2C1O;YWUCQENVAMBMBD-UHFFFAOYSA-N;122.17;1.11;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC4_SNda";;;;;;;2.2;;0.49;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM389931;MM389931;C=NNCC(=CF)OCC;UCPJEKZCVPTFLP-UHFFFAOYSA-N;146.17;1.04;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_P2";;;;;;;0.54;;-1.09;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM389932;MM389932;CNN=CN(N)C=C(F)F;FRFYEXMMBXQOBV-UHFFFAOYSA-N;150.13;0.06;;;;;DOPC;MDCG;27;0;"MARTINI bead: P3_C4";;;;;;;0.23;;-1.03;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM389933;MM389933;CCOC(CNC=N)=NN;RMOKQFXNPGSHCL-UHFFFAOYSA-N;144.18;-0.51;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nda_P3";;;;;;;-1.1;;-6.85;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM389934;MM389934;C=NN(C(N)=O)C(=O)CO;VYUUUZUWTOSTBG-UHFFFAOYSA-N;145.12;-1.5;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_P2";;;;;;;-1.06;;-3.82;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM389935;MM389935;C=CC1NN=C(C=O)C1=C;UEHCBDWKWVAKBQ-UHFFFAOYSA-N;136.15;0.26;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNd_SP1";;;;;;;0.04;;-2.63;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM389936;MM389936;C=NN(C(=N)N)C(=N)NN;UNALAUCCBOSYSK-UHFFFAOYSA-N;143.15;-1.8;;;;;DOPC;MDCG;27;1;"MARTINI bead: P4_P2";;;;;;;-2.29;;-7.89;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM389937;MM389937;C#Cc1[nH]cc(CF)c1N;QDGNGMOXOCKMGQ-UHFFFAOYSA-N;138.15;1.05;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNa_SNd";;;;;;;0.87;;-1.88;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM389938;MM389938;C=NN(C(=N)N)C(=N)NO;GGULPUKWPMEVLD-UHFFFAOYSA-N;144.14;-1.29;;;;;DOPC;MDCG;27;1;"MARTINI bead: P3_P2";;;;;;;-2.2;;-6.3;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM389939;MM389939;N#CCNC(CCO)=NO;DRQHLBMFKVWRKN-UHFFFAOYSA-N;143.15;-0.73;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_P2";;;;;;;-1.06;;-3.82;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM389940;MM389940;C=NN(C(=C)C)C(=N)OC;OXTONNOWQHGXJQ-UHFFFAOYSA-N;141.17;1.02;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_N0";;;;;;;0.34;;-1.53;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM389941;MM389941;CNCC(=NCC#N)NC;OIUHSVWQFPODAQ-UHFFFAOYSA-N;140.19;-0.65;;;;;DOPC;MDCG;27;1;"MARTINI bead: P2_Nd";;;;;;;-0.24;;-4.31;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM389942;MM389942;C=NN(C(=N)N)C(=N)OC;QZFBYJRZESHMQN-UHFFFAOYSA-N;143.15;-0.62;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1_P2";;;;;;;-1.06;;-5.65;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM389943;MM389943;C=CCN=C(COC)NC;BMPARCZFJIQKEB-UHFFFAOYSA-N;142.2;0.44;;;;;DOPC;MDCG;27;1;"MARTINI bead: P2_C4";;;;;;;1.09;;-2.98;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM389944;MM389944;C=CCC1C=CC(C)(O)C1;TWUNLPIEGNBCHI-UHFFFAOYSA-N;138.21;1.89;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNda_SC1";;;;;;;2.91;;0.57;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM389945;MM389945;CCCC(=NC)NNC=N;NGFIMZVKTBCCSO-UHFFFAOYSA-N;142.21;0.52;;;;;DOPC;MDCG;27;1;"MARTINI bead: C5_P3";;;;;;;-0.33;;-4.55;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM389946;MM389946;C=NN(C(N)=O)C(=O)OC;HJSVHWVUNVSJAL-UHFFFAOYSA-N;145.12;-0.25;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_P1";;;;;;;-0.79;;-3.13;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM389947;MM389947;CCCC(=NN)NNC=N;DQNHYOHDJINOLS-UHFFFAOYSA-N;143.19;-0.24;;;;;DOPC;MDCG;27;1;"MARTINI bead: C5_P4";;;;;;;-0.41;;-4.95;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM389948;MM389948;C=CC(C(=C)C)C(=C)C=O;JLVQDADYXYVPBR-UHFFFAOYSA-N;136.19;2.12;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1_Na";;;;;;;2.91;;0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM389949;MM389949;COCC(=NN)NNC=N;XPQNZUJFGSUPCH-UHFFFAOYSA-N;145.17;-1.39;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1_P4";;;;;;;-2.01;;-7.28;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM389950;MM389950;C=CC(C(=C)C)C(=C)C#N;CUXNMBKTPNHLNU-UHFFFAOYSA-N;133.19;2.44;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1_N0";;;;;;;3.21;;0.46;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM389951;MM389951;CCNC(=NC)NCC=O;NHYJHYHYMPXKQR-UHFFFAOYSA-N;143.19;-0.63;;;;;DOPC;MDCG;27;1;"MARTINI bead: C5_P3";;;;;;;-0.33;;-5.23;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM389952;MM389952;C=CC(=C)C(C=O)C(=C)C;BKJQDBIZRBXACN-UHFFFAOYSA-N;136.19;2.12;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4_C5";;;;;;;2.97;;0.45;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM389953;MM389953;CN=C(NCC=O)NNC;CQOIORMURUHORN-UHFFFAOYSA-N;144.18;-1.52;;;;;DOPC;MDCG;27;1;"MARTINI bead: P3_Na";;;;;;;-1.1;;-6.82;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM389954;MM389954;C=C(C)C(C=O)C(=C)C=O;JKHYEHWADQMBTC-UHFFFAOYSA-N;138.17;1.13;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_Na";;;;;;;0.87;;-2.22;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM389955;MM389955;N#CC1NC1C(=O)C=CN;LKTIIKQXESKTER-UHFFFAOYSA-N;137.14;-1.11;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_SP2";;;;;;;-1.34;;-4.31;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM389956;MM389956;C=C(C)C(C=O)C(=C)C#N;JMRBQSZOMQIFDD-UHFFFAOYSA-N;135.17;1.46;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_N0";;;;;;;1.17;;-1.18;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM389957;MM389957;CNNC(=NN)NNC=N;NJJFCHKIAKRABJ-UHFFFAOYSA-N;145.17;-2.36;;;;;DOPC;MDCG;27;1;"MARTINI bead: P4_P4";;;;;;;-3.24;;-9.71;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM389958;MM389958;C=CC(C(=C)C#N)C(C)=O;OXXOSQGRFSAZHI-UHFFFAOYSA-N;135.17;1.46;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_N0";;;;;;;1.17;;-1.18;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM389959;MM389959;CNNC(=NN)NNC=O;ZZAVZNXSGKCTFH-UHFFFAOYSA-N;146.15;-2.81;;;;;DOPC;MDCG;27;1;"MARTINI bead: P4_P4";;;;;;;-3.24;;-9.16;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM389960;MM389960;C=CC(=C)C(C=C)C(=N)N;WKIWYMYPWSYCRW-UHFFFAOYSA-N;136.2;1.47;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1_C4";;;;;;;1.37;;-4.26;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM389961;MM389961;CNNC(=NO)NNC=N;KSFZDFWYIFAAHL-UHFFFAOYSA-N;146.15;-1.84;;;;;DOPC;MDCG;27;1;"MARTINI bead: P4_P4";;;;;;;-3.24;;-9.5;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM389962;MM389962;C=NN=CNOC=NN=C;NEIXCLKGRLHRTQ-UHFFFAOYSA-N;141.13;-0.2;;;;;DOPC;MDCG;27;0;"MARTINI bead: N0_Nda";;;;;;;1.17;;-1.13;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM389963;MM389963;C=CC(=C)C(C=C)C(N)=O;YIFDAULQRSNWGZ-UHFFFAOYSA-N;137.18;1.02;;;;;DOPC;MDCG;27;0;"MARTINI bead: P3_C1";;;;;;;0.94;;0.03;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM389964;MM389964;CCC1C(O)C1CC=CF;NWRRLTFPBMQIFC-UHFFFAOYSA-N;144.19;1.88;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNda_C4";;;;;;;2.2;;0.49;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM389965;MM389965;C=CC(=O)C(C=O)C(=C)C;WZDIUDABJVFSDT-UHFFFAOYSA-N;138.17;1.13;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_Na";;;;;;;0.87;;-2.22;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM389966;MM389966;CCOC(=NC)NCC#N;BLICCLBEYSODEJ-UHFFFAOYSA-N;141.17;0.12;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_P2";;;;;;;0.54;;-1.09;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM389967;MM389967;C=CC(=O)C(C#N)C(=C)C;NZUMAVDRMUTIPJ-UHFFFAOYSA-N;135.17;1.46;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4_P1";;;;;;;1.37;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM389968;MM389968;CC(=CC#N)C(=O)C1CN1;YEKGGXXPOKRGJC-UHFFFAOYSA-N;136.15;;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_SP2";;;;;;;-0.24;;-3.24;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM389969;MM389969;C=CC(=O)C(C=C)C(C)=O;JMUAGOBCAYMCGD-UHFFFAOYSA-N;138.17;1.13;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_Na";;;;;;;0.87;;-2.22;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM389970;MM389970;CCOC(=NO)NCC=O;WORRQYNXGMHTEW-UHFFFAOYSA-N;146.15;-0.44;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_P3";;;;;;;-0.33;;-2.01;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM389971;MM389971;NN=c1ncnnc(=O)[nH]1;QALXQLGFYTUVKU-UHFFFAOYSA-N;140.11;-2.67;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP4_SP4";;;;;;;-3.24;;-10.91;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM389972;MM389972;CCC1=NN=C(NN)OC1;VKGIJSLOLPWUNE-UHFFFAOYSA-N;142.16;-0.4;;;;;DOPC;MDCG;27;0;"MARTINI bead: SN0_SP1";;;;;;;0.34;;-1.53;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM389973;MM389973;N#CC(C(=N)N)C(=O)C=O;XBLBJEDSFVLCCW-UHFFFAOYSA-N;139.11;-1.17;;;;;DOPC;MDCG;27;1;"MARTINI bead: P3_Na";;;;;;;-1.1;;-5.25;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM389974;MM389974;CCOC(=NN)NNC=N;AWAGDOJDZHSBRT-UHFFFAOYSA-N;145.17;-1.05;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nda_P4";;;;;;;-1.19;;-6.77;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM389975;MM389975;CC(C#N)ONC(=O)CF;SNDIVYFEGMEWDX-UHFFFAOYSA-N;146.12;-0.08;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda_P2";;;;;;;-0.24;;-7.3;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM389976;MM389976;CCOC(=NO)NNC=N;STYYYXFVWFJBRF-UHFFFAOYSA-N;146.15;-0.53;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nda_P4";;;;;;;-1.19;;-6.74;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM389977;MM389977;C=C(C=O)N(C=O)C(C)=N;KQKZOSFAIFVJHK-UHFFFAOYSA-N;140.14;0.15;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nd_P2";;;;;;;-0.24;;-3.16;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM389978;MM389978;C=CC1CCC2(CO)CC12;NVDRCGQHYSOKNR-UHFFFAOYSA-N;138.21;1.58;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNda_SC2";;;;;;;2.83;;0.57;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM389979;MM389979;C=C(C=O)N(C=N)C(C)=O;PSRIWLWOHMUGNF-UHFFFAOYSA-N;140.14;0.15;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_P2";;;;;;;-0.24;;-3.24;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM389980;MM389980;CCOC(=NO)NOC=O;HRMVKYCXBHWEPC-UHFFFAOYSA-N;148.12;-0.55;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda_P2";;;;;;;-0.24;;-3.31;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM389981;MM389981;C=C(C#N)N(C=O)C(C)=O;LPNLALXJWHKABM-UHFFFAOYSA-N;138.13;0.03;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_N0";;;;;;;0.06;;-2.21;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM389982;MM389982;C=CCOC(=CF)CCN;XIVIQSGSLMANRM-UHFFFAOYSA-N;145.18;1.35;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1_C5";;;;;;;0.81;;-3.16;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM389983;MM389983;C=CC(=C)N(C=C)C(=N)N;ZSMICARHGUWSAU-UHFFFAOYSA-N;137.19;1.03;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1_N0";;;;;;;0.34;;-6.08;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM389984;MM389984;O=CCOC(=CF)CCO;YQIKOKSIVIRCJY-UHFFFAOYSA-N;148.13;0.4;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_Na";;;;;;;0.04;;-2.54;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM389985;MM389985;C=C(C=O)N(C=N)C(=N)N;HMROCJOEUCXBTB-UHFFFAOYSA-N;140.15;-0.5;;;;;DOPC;MDCG;27;1;"MARTINI bead: P4_Na";;;;;;;-1.19;;-5.88;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM389986;MM389986;O=CCOC(=CF)CCF;UDCPNGNUTGWAFG-UHFFFAOYSA-N;150.12;1.37;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_Na";;;;;;;0.87;;-2.22;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM389987;MM389987;C=CC(=C)N(C=O)C(=N)N;DYFWHFHUSVYUBR-UHFFFAOYSA-N;139.16;0.04;;;;;DOPC;MDCG;27;1;"MARTINI bead: P3_N0";;;;;;;-0.8;;-4.46;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM389988;MM389988;CNCC(=CF)OCC#N;VTGBCKNVHCMKBG-UHFFFAOYSA-N;144.15;0.56;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1_Na";;;;;;;0.04;;-3.59;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM389989;MM389989;C=CCC1=CC(C)(O)CC1;MUNQMUSEUHSEQG-UHFFFAOYSA-N;138.21;2.03;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNda_SC3";;;;;;;2.57;;0.44;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM389990;MM389990;O=CC1CCC2(CO)CC12;TXGOKISBUGJAHA-UHFFFAOYSA-N;140.18;0.59;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNda_SNa";;;;;;;0.87;;-1.99;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM389991;MM389991;CNN=C(C)NOC(C)=O;AEIUWSRVLLWHFM-UHFFFAOYSA-N;145.16;-0.39;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nd_P2";;;;;;;-0.24;;-3.16;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM389992;MM389992;NN=C(CCO)ONC=O;FYSAJVXRLXQFTE-UHFFFAOYSA-N;147.13;-1.68;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_P4";;;;;;;-2.29;;-5.95;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM389993;MM389993;C=C(C#N)N(C=O)C(N)=O;VLSFDQFQDONYSA-UHFFFAOYSA-N;139.11;-0.44;;;;;DOPC;MDCG;27;0;"MARTINI bead: P4_N0";;;;;;;-0.88;;-3.74;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM389994;MM389994;COCC(=NN)ONC=O;SKOGOYILEXYDGH-UHFFFAOYSA-N;147.13;-1.42;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_P2";;;;;;;-1.34;;-4.31;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM389995;MM389995;C=CC(=N)N(C=O)C(=C)C;GTGRKNWAMLYFQH-UHFFFAOYSA-N;138.17;1.14;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda_P1";;;;;;;0.04;;-2.73;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM389996;MM389996;CCNC(=NO)OCC=O;MHXSAPFKAJGVAF-UHFFFAOYSA-N;146.15;-0.44;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_P3";;;;;;;-0.33;;-2.01;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM389997;MM389997;C=C(C)N(C=O)C(=N)C=O;KWOXAHLAVZCVPH-UHFFFAOYSA-N;140.14;0.15;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda_P2";;;;;;;-0.24;;-3.31;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM389998;MM389998;C=CC1CC1C1(CO)CC1;ZTTDRPHUWBALGN-UHFFFAOYSA-N;138.21;1.58;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNda_SC4";;;;;;;2.2;;0.49;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM389999;MM389999;CC(=N)N(C=N)C(=N)C#N;SGYDPWNUMRXQRI-UHFFFAOYSA-N;137.15;0.39;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nd_P2";;;;;;;-0.24;;-3.16;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM390000;MM390000;CONC(=NO)OCC=O;BMBAOURSBVXGEL-UHFFFAOYSA-N;148.12;-0.9;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_P2";;;;;;;-1.34;;-4.31;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM390001;MM390001;C=CC(=N)N(C=O)C(C)=N;NBTDNJSJVKTNGM-UHFFFAOYSA-N;139.16;0.61;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nd_P2";;;;;;;-0.24;;-3.16;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM390002;MM390002;CCNC(=NN)ONC=O;JOFFKCYKBDATPP-UHFFFAOYSA-N;146.15;-1.5;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_P2";;;;;;;-1.06;;-3.82;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM390003;MM390003;C=CC(=N)N(C=N)C(C)=O;BKGNLWMDUOTJGJ-UHFFFAOYSA-N;139.16;0.61;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_P2";;;;;;;-0.24;;-3.24;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM390004;MM390004;CCNC(=NO)ONC=O;CAVHURRKWGTVQN-UHFFFAOYSA-N;147.13;-0.98;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_P2";;;;;;;-1.06;;-3.82;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM390005;MM390005;CC(=O)N(C=N)C(=N)C#N;CTCGMWKJIBGWMQ-UHFFFAOYSA-N;138.13;-0.06;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_P2";;;;;;;-0.24;;-3.24;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM390006;MM390006;O=CC1C2CC(CF)CN12;XZVSWFVYMMQXSD-UHFFFAOYSA-N;143.16;0.23;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNa_SP2";;;;;;;-0.24;;-3.24;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM390007;MM390007;CONC(=NN)ONC=O;WYUPFHZVFDMVKM-UHFFFAOYSA-N;148.12;-1.96;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_P3";;;;;;;-2.2;;-5.19;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM390008;MM390008;CC(=O)N(C=O)C(=N)C=O;QUMYHVXIZYLLHQ-UHFFFAOYSA-N;142.11;-0.83;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_P4";;;;;;;-1.19;;-4.76;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM390009;MM390009;CONC(=NO)ONC=O;KKRZGFKARKHCTA-UHFFFAOYSA-N;149.11;-1.44;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_P3";;;;;;;-2.2;;-5.19;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM390010;MM390010;C=CN(C(=N)N)C(=N)C=O;VXTBXIDFFFWMFK-UHFFFAOYSA-N;140.15;-0.5;;;;;DOPC;MDCG;27;1;"MARTINI bead: P2_P2";;;;;;;-1.34;;-5.6;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM390011;MM390011;O=CC1NC1CF;DERFUKODWYJINV-UHFFFAOYSA-N;103.1;-0.5;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_SP2";;;;;;;-0.24;;-3.24;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM390012;MM390012;C=CC(=N)N(C=N)C(=N)N;VMDKARITJKZGJP-UHFFFAOYSA-N;139.16;-0.05;;;;;DOPC;MDCG;27;1;"MARTINI bead: P3_N0";;;;;;;-0.8;;-5.42;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM390013;MM390013;C=CCOC(=NO)OCC;FTEQIJQHEYNSSJ-UHFFFAOYSA-N;145.16;0.97;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_Nda";;;;;;;0.87;;-1.99;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM390014;MM390014;CCC(O)CC(C)CC#N;RSTHORSXDDFLBG-UHFFFAOYSA-N;141.21;1.7;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda_N0";;;;;;;1.17;;-1.13;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM390015;MM390015;CCOC(=NO)OCC=O;RRCYAVQYXMVZGT-UHFFFAOYSA-N;147.13;-0.02;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_Nda";;;;;;;-0.24;;-3.31;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM390016;MM390016;N#CC(=N)N(C=O)C(N)=O;FTMREJIQXALHPC-UHFFFAOYSA-N;140.1;-0.98;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_P2";;;;;;;-1.34;;-4.31;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM390017;MM390017;CCOC(=NN)ONC=O;LJRJJLMEAAOPAO-UHFFFAOYSA-N;147.13;-1.07;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_P4";;;;;;;-0.41;;-2.78;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM390018;MM390018;C=CC(=O)N(C=N)C(=C)C;LGGGYOFRPXMHFL-UHFFFAOYSA-N;138.17;1.14;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_N0";;;;;;;0.06;;-2.21;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM390019;MM390019;C#CCCC(=CF)CCN;PKGJBZUMLHMFJD-UHFFFAOYSA-N;141.19;1.6;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nda_N0";;;;;;;1.17;;-3.88;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM390020;MM390020;C=C(C)N(C=O)C(=O)C#N;JAJGGMSWEQATDL-UHFFFAOYSA-N;138.13;0.03;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4_P3";;;;;;;0.23;;-1.03;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM390021;MM390021;C#CCCC(=CF)CNC;BTPNDYNCCUJNNM-UHFFFAOYSA-N;141.19;1.47;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nda_N0";;;;;;;1.17;;-3.12;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM390022;MM390022;C=CC(=O)N(C=N)C(C)=N;XJEIMJJLBJREED-UHFFFAOYSA-N;139.16;0.61;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nd_P2";;;;;;;-0.24;;-3.16;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM390023;MM390023;C#CCCC(CCN)=NO;OBBTWCJVCHUNFH-UHFFFAOYSA-N;140.19;0.58;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1_Nda";;;;;;;0.04;;-6.43;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM390024;MM390024;C=CC(=O)N(C=O)C(C)=O;JKLTTZUJPAITBT-UHFFFAOYSA-N;141.13;-0.3;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_Na";;;;;;;-0.24;;-3.24;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM390025;MM390025;C#CCCC(CCF)=NO;RMJSPYCVMOGLBR-UHFFFAOYSA-N;143.16;1.59;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda_N0";;;;;;;1.17;;-1.13;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM390026;MM390026;C#CC(=O)CC(N)=NOC;JEYQTKLNJAHJBR-UHFFFAOYSA-N;140.14;-0.5;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_Na";;;;;;;-0.24;;-3.24;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM390027;MM390027;C#CCCC(=NOC)NN;GJXMDAVOJXDJNJ-UHFFFAOYSA-N;141.17;-0.18;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_N0";;;;;;;0.34;;-1.53;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM390028;MM390028;N=CN(C(N)=O)C(=O)C=O;HEUXQIUGOOKIFQ-UHFFFAOYSA-N;143.1;-1.3;;;;;DOPC;MDCG;27;0;"MARTINI bead: P4_Na";;;;;;;-1.19;;-4.76;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM390029;MM390029;C#CCNC(=NC)NNC;IHSFBDHHWJTXEC-UHFFFAOYSA-N;140.19;-1.08;;;;;DOPC;MDCG;27;1;"MARTINI bead: P3_N0";;;;;;;-0.8;;-6.55;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM390030;MM390030;N#CC(=O)N(C=N)C(N)=O;CMABIAMRSGUSCW-UHFFFAOYSA-N;140.1;-0.98;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_P2";;;;;;;-1.34;;-4.31;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM390031;MM390031;C#CCNC(=NN)NNC;PLXHEAAWUUEZST-UHFFFAOYSA-N;141.18;-1.84;;;;;DOPC;MDCG;27;1;"MARTINI bead: P4_N0";;;;;;;-0.88;;-5.96;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM390032;MM390032;C=CC(=O)N(C=O)C(N)=O;MDEPZEKPOXJJQB-UHFFFAOYSA-N;142.11;-0.76;;;;;DOPC;MDCG;27;0;"MARTINI bead: P3_N0";;;;;;;-0.8;;-2.99;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM390033;MM390033;C#CCOC(=CF)CCO;LSSDWRXYDUDXRA-UHFFFAOYSA-N;144.15;0.83;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_N0";;;;;;;0.34;;-1.53;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM390034;MM390034;NC(=O)N(C=O)C(=O)C=O;VIMAUVYOINFWJS-UHFFFAOYSA-N;144.09;-1.75;;;;;DOPC;MDCG;27;0;"MARTINI bead: P3_P2";;;;;;;-2.2;;-5.19;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM390035;MM390035;CC(CO)C(C)(C)C;IWWVOLGZHKFWKK-UHFFFAOYSA-N;116.2;1.66;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda_C3";;;;;;;2.57;;0.44;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM390036;MM390036;N#CC(=O)N(C=O)C(N)=O;MVHYFZVXONPSBW-UHFFFAOYSA-N;141.09;-1.43;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_P2";;;;;;;-1.34;;-4.31;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM390037;MM390037;CCC1CCC(O)C1;CRHZGBUSTWVQAQ-UHFFFAOYSA-N;114.19;1.56;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC1_SNda";;;;;;;2.91;;0.57;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM390038;MM390038;C=NN(C(=C)C#N)C(C)=N;OPUBLSXEQHRTQW-UHFFFAOYSA-N;136.16;0.94;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_N0";;;;;;;0.34;;-1.53;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM390039;MM390039;CCC1CC1C(C)O;VSAOKFDRJGNCNV-UHFFFAOYSA-N;114.19;1.41;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC3_P1";;;;;;;1.74;;0.29;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM390040;MM390040;C=C(C#CC)CC(O)CC;ZVKGGSMBIXGZSQ-UHFFFAOYSA-N;138.21;1.73;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda_C3";;;;;;;2.57;;0.44;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM390041;MM390041;C#CCOC(=NC)NOC;SXARFEJIKDORCX-UHFFFAOYSA-N;142.16;-0.23;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_N0";;;;;;;0.34;;-1.53;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM390042;MM390042;C=NN(C(=C)C)C(=N)C#N;RCUAPOLEQXXMBG-UHFFFAOYSA-N;136.16;0.94;;;;;DOPC;MDCG;27;0;"MARTINI bead: N0_P1";;;;;;;0.34;;-1.53;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM390043;MM390043;CC(O)C1CC(C)(C)C1;XQERHWOTHHSQJD-UHFFFAOYSA-N;128.22;1.8;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNda_SC3";;;;;;;2.57;;0.44;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM390044;MM390044;C=CC(=N)N(N=C)C(C)=N;PWRTWCBZFILINS-UHFFFAOYSA-N;138.17;1.06;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_N0";;;;;;;0.34;;-1.53;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM390045;MM390045;C#CCOC(=NO)NOC;XAQDPNFHZLYXAR-UHFFFAOYSA-N;144.13;-0.47;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_Nda";;;;;;;-0.24;;-3.31;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM390046;MM390046;CC(=CC#N)NC(C)C=O;IUQUXIAOFJREQZ-UHFFFAOYSA-N;138.17;0.59;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_Nd";;;;;;;0.87;;-1.88;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM390047;MM390047;C=CCC(=CC)CCCC;ZAZXOTUQBHWRRA-UHFFFAOYSA-N;138.25;3.7;;;;;DOPC;MDCG;27;0;"MARTINI bead: C3_C1";;;;;;;4.61;;0.31;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM390048;MM390048;CNNC(=NN)OC(C)=O;PDODGRBTMNSPRK-UHFFFAOYSA-N;146.15;-1.5;;;;;DOPC;MDCG;27;0;"MARTINI bead: P4_P1";;;;;;;-2.01;;-5.13;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM390049;MM390049;C=CCC(=CC)CCCF;CDUOMOVSKYTRJG-UHFFFAOYSA-N;142.22;3.26;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1_C5";;;;;;;3.68;;0.46;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM390050;MM390050;C=CC1(CC(C)O)CC1C;VQQKKWILLFKEON-UHFFFAOYSA-N;140.23;1.97;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda_SC4";;;;;;;2.2;;0.49;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM390051;MM390051;CC=C(CC#N)CCCC;ZLLDXRSMGURESM-UHFFFAOYSA-N;137.23;3.04;;;;;DOPC;MDCG;27;0;"MARTINI bead: C3_C5";;;;;;;3.34;;0.48;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM390052;MM390052;C=NN(C(=N)C#N)C(N)=O;NXYXJHMTRVRUEE-UHFFFAOYSA-N;139.12;-0.52;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_P1";;;;;;;-0.79;;-3.13;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM390053;MM390053;CC(C)C1CC(C)(O)C1;HJSPQIDEZVQEEE-UHFFFAOYSA-N;128.22;1.8;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC2_SNda";;;;;;;2.83;;0.57;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM390054;MM390054;C=NN(C(=C)C)C(=O)C#N;UGPFOMNHKPYOBR-UHFFFAOYSA-N;137.14;0.49;;;;;DOPC;MDCG;27;0;"MARTINI bead: N0_P1";;;;;;;0.34;;-1.53;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM390055;MM390055;CC=C(CC=O)CCCF;HDODACPKMICKER-UHFFFAOYSA-N;144.19;2.27;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4_C5";;;;;;;2.97;;0.45;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM390056;MM390056;C=CC1(C)C=C(C)C(O)C1;QAWLAEBUOCPYOZ-UHFFFAOYSA-N;138.21;1.89;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNda_SC2";;;;;;;2.83;;0.57;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM390057;MM390057;CC=C(CC#N)CCCF;SNUXLUZBQRRXCU-UHFFFAOYSA-N;141.19;2.6;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_C5";;;;;;;2.41;;0.64;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM390058;MM390058;C#CC(=C)C(C=C)C(C)=O;ZFYWFLZGTFLBEX-UHFFFAOYSA-N;134.18;1.57;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_C4";;;;;;;2.2;;0.34;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM390059;MM390059;C=CCC(=CF)CCCN;FLXVPDIESSLAKN-UHFFFAOYSA-N;143.21;2.15;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1_C1";;;;;;;2.08;;-1.17;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM390060;MM390060;C=CC1CC(O)(C=C)C1;AHMJSRCCFXLZQJ-UHFFFAOYSA-N;124.18;1.5;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNda_SC4";;;;;;;2.2;;0.49;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM390061;MM390061;C#CC(=O)C(C=C)C(=C)C;AYZHOHKDHXOUOP-UHFFFAOYSA-N;134.18;1.57;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1_P1";;;;;;;2.08;;0.48;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM390062;MM390062;C=CCC(=CF)CCCF;ANMDFMJWSGEPBO-UHFFFAOYSA-N;146.18;3.17;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_C1";;;;;;;3.68;;0.46;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM390063;MM390063;C#CC(=O)C(C=C)C(=C)F;QPBBERIDIAKTQV-UHFFFAOYSA-N;138.14;1.47;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_Na";;;;;;;1.64;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM390064;MM390064;CC1=CC(C)(CO)C=C1;PVYILABJSZMSNQ-UHFFFAOYSA-N;124.18;1.5;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC5_SC5";;;;;;;2.41;;0.64;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM390065;MM390065;C#CC(=O)C(C#N)C(=C)F;VVRZIWPAFKUCFQ-UHFFFAOYSA-N;137.11;0.81;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_P1";;;;;;;0.81;;-0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM390066;MM390066;O=CCC(=CF)CCCF;BSZNQWOFZZYXJJ-UHFFFAOYSA-N;148.15;2.18;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_Na";;;;;;;1.64;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM390067;MM390067;C#CC(=C)N(C=O)C(C)=O;FZUZVZSBUXNIDJ-UHFFFAOYSA-N;137.14;0.14;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda_P2";;;;;;;-0.24;;-3.31;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM390068;MM390068;C=CCC(=CC)CCNC;DGHXKILXSBTDKN-UHFFFAOYSA-N;139.24;2.12;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1_C1";;;;;;;2.08;;-1.4;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM390069;MM390069;C#CC(=C)N(C=N)C(=N)N;RHHQJANJXSUVCH-UHFFFAOYSA-N;136.16;-0.06;;;;;DOPC;MDCG;27;1;"MARTINI bead: P4_N0";;;;;;;-0.88;;-6.51;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM390070;MM390070;CC=C(CC=O)CCNC;KSNUMCFVZATJLJ-UHFFFAOYSA-N;141.21;1.13;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1_C4";;;;;;;1.37;;-2.87;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM390071;MM390071;C#CC(=C)N(C=O)C(N)=O;WYLJSVOBIJPNPB-UHFFFAOYSA-N;138.13;-0.33;;;;;DOPC;MDCG;27;0;"MARTINI bead: P4_N0";;;;;;;-0.88;;-3.74;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM390072;MM390072;CC=C(CC#N)CCNC;KZFVDLRRXFTLGF-UHFFFAOYSA-N;138.21;1.46;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1_C5";;;;;;;0.81;;-3.5;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM390073;MM390073;C#CC(=N)N(C=O)C(C)=O;OVLBJYMCHYTADK-UHFFFAOYSA-N;138.13;-0.4;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_P1";;;;;;;-1.06;;-3.82;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM390074;MM390074;C=CCC(=CF)CCNC;RKYOMZBQHNDVFN-UHFFFAOYSA-N;143.21;2.03;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1_C1";;;;;;;2.08;;-1.39;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM390075;MM390075;C#CC(=N)N(C=O)C(N)=O;NXUVKWLQRKTXBO-UHFFFAOYSA-N;139.11;-0.87;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_P2";;;;;;;-1.34;;-4.31;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM390076;MM390076;CC=C(CC=O)CCOC;MRAWHLGLLURMDF-UHFFFAOYSA-N;142.2;1.56;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_C4";;;;;;;1.37;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM390077;MM390077;C#CC(=O)N(C=N)C(=C)C;BXVHZXMDGMBDDB-UHFFFAOYSA-N;136.15;0.59;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nd_P1";;;;;;;0.04;;-2.63;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM390078;MM390078;CC=C(CC#N)CCOC;VGJJCTWELIKXAZ-UHFFFAOYSA-N;139.2;1.88;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_C5";;;;;;;0.81;;-0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM390079;MM390079;C#CC(=O)N(C=C)C(C)=N;CBJDCXLJOQESLW-UHFFFAOYSA-N;136.15;0.59;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nd_P1";;;;;;;0.04;;-2.63;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM390080;MM390080;C=CCC(CCCN)=NO;ALZZPHWDNFTLDQ-UHFFFAOYSA-N;142.2;1.13;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1_C5";;;;;;;0.81;;-2.98;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM390081;MM390081;CCCC(O)CCCC#N;LIADVNKTBZZEIM-UHFFFAOYSA-N;141.21;1.84;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda_N0";;;;;;;1.17;;-1.13;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM390082;MM390082;C=CCC(CCCO)=NO;PMSUAWTYGYXFFN-UHFFFAOYSA-N;143.19;1.17;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_C5";;;;;;;0.81;;-0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM390083;MM390083;C#CC(=O)N(C=O)C(N)=O;QFXWCPWHFARBLO-UHFFFAOYSA-N;140.1;-1.32;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_P2";;;;;;;-1.34;;-4.31;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM390084;MM390084;C=CCC(CCOC)=NO;HYMJGYQQISBSJU-UHFFFAOYSA-N;143.19;1.43;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_C5";;;;;;;0.81;;-0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM390085;MM390085;C#CC(=N)N(N=C)C(N)=O;VFMCCOJBQDYYHT-UHFFFAOYSA-N;138.13;-0.41;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_P1";;;;;;;-0.79;;-3.13;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM390086;MM390086;C=CCC(=CC)CNCC;WVGNKYBWKHEKCG-UHFFFAOYSA-N;139.24;2.12;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_C1";;;;;;;2.91;;-0.34;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM390087;MM390087;C#CC(=O)N(N=C)C(N)=O;VKINJNSWTMRCJB-UHFFFAOYSA-N;139.11;-0.86;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_P1";;;;;;;-0.79;;-3.13;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM390088;MM390088;CC=C(CC=O)CNCC;TXNQZPCGDMACDY-UHFFFAOYSA-N;141.21;1.13;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_C5";;;;;;;1.64;;-2.14;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM390089;MM390089;C#CC(C(=C)C)C(=C)CN;AKWLHTBNZPXHFD-UHFFFAOYSA-N;135.21;1.33;;;;;DOPC;MDCG;27;1;"MARTINI bead: C4_P1";;;;;;;1.37;;-2.14;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM390090;MM390090;C=CCC(=CF)CNCC;KFKZIIAQNGGTCE-UHFFFAOYSA-N;143.21;2.03;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nda_C4";;;;;;;2.2;;-1.35;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM390091;MM390091;C#CC(C(=C)CC)C(C)=O;SVOHIMYJXPMRLY-UHFFFAOYSA-N;136.19;1.79;;;;;DOPC;MDCG;27;0;"MARTINI bead: C3_Na";;;;;;;2.57;;0.45;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM390092;MM390092;CCNCC(=CF)CC=O;FHIFVBJAHCQPFF-UHFFFAOYSA-N;145.18;1.04;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_Na";;;;;;;0.87;;-3.67;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM390093;MM390093;C#CC(C(=C)CC)C(=N)N;IEZIDFNKRYQEOY-UHFFFAOYSA-N;136.2;1.14;;;;;DOPC;MDCG;27;1;"MARTINI bead: C1_P3";;;;;;;0.94;;-2.94;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM390094;MM390094;C=CCC(CNCC)=NO;CNEKWXPIASXNJD-UHFFFAOYSA-N;142.2;1;;;;;DOPC;MDCG;27;1;"MARTINI bead: C4_P3";;;;;;;0.23;;-3.65;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM390095;MM390095;C#CC(C(=C)CF)C(N)=O;IFHIKXRCUKHFRK-UHFFFAOYSA-N;141.15;0.25;;;;;DOPC;MDCG;27;0;"MARTINI bead: P3_C4";;;;;;;0.23;;-1.03;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM390096;MM390096;N#Cc1oc(=O)oc1O;HPJUFLLJKNFBFT-UHFFFAOYSA-N;127.06;-0.19;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP2_P2";;;;;;;-1.34;;-8.29;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM390097;MM390097;C#CC(C(=C)C)C(=O)CC;PNRDSCJFISPWLK-UHFFFAOYSA-N;136.19;1.79;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_C4";;;;;;;2.2;;0.34;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM390098;MM390098;CC=C(CCCN)NC=N;GKFAFGDIDOGVQQ-UHFFFAOYSA-N;141.22;0.83;;;;;DOPC;MDCG;27;1;"MARTINI bead: C4_P3";;;;;;;0.23;;-4.73;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM390099;MM390099;C#CC(C(=C)C)C(=O)CF;OEDBXLZOIFADEJ-UHFFFAOYSA-N;140.16;1.35;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4_P2";;;;;;;1.09;;-0.38;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM390100;MM390100;CC=C(CCCO)NC=N;XGFUTPGTZASZQR-UHFFFAOYSA-N;142.2;0.86;;;;;DOPC;MDCG;27;1;"MARTINI bead: C4_P3";;;;;;;0.23;;-4.71;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM390101;MM390101;C#CC(C(C)=O)C(=O)CO;PHDLURUFQLERFD-UHFFFAOYSA-N;140.14;-0.61;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_P2";;;;;;;-0.24;;-3.24;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM390102;MM390102;CC=C(CCCF)NC=N;UYEQYIXMVDROQV-UHFFFAOYSA-N;144.19;1.84;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_C5";;;;;;;1.64;;-3.74;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM390103;MM390103;C#CC(C(N)=O)C(N)=NC;XSPSSMAOUKLYHK-UHFFFAOYSA-N;139.16;-1.29;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_P3";;;;;;;-1.1;;-5.18;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM390104;MM390104;CC=C(CCCF)NC=O;ZSTGRIJGCAGZPC-UHFFFAOYSA-N;145.18;1.39;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda_C5";;;;;;;1.64;;0.05;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM390105;MM390105;CNCC(=O)ON=CNN;RJKMCVZJXDOVLC-UHFFFAOYSA-N;146.15;-1.84;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_P3";;;;;;;-1.93;;-4.72;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM390106;MM390106;C=CNC(CCCO)=NN;RAXHQAHRSCMCNG-UHFFFAOYSA-N;143.19;-0.24;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nda_P2";;;;;;;-0.24;;-5.2;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM390107;MM390107;C#CC(C(=N)N)C(=O)NC;RVNNANSEGJFHGV-UHFFFAOYSA-N;139.16;-1.08;;;;;DOPC;MDCG;27;1;"MARTINI bead: P2_P2";;;;;;;-1.34;;-6.29;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM390108;MM390108;COC=NNCC(F)F;CVRJNXUVIDIRIE-UHFFFAOYSA-N;138.12;0.43;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_N0";;;;;;;0.34;;-1.53;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM390109;MM390109;C#CC(C(N)=O)C(=O)NO;LQWIZEWOJDKKAY-UHFFFAOYSA-N;142.11;-1.77;;;;;DOPC;MDCG;27;0;"MARTINI bead: P3_P2";;;;;;;-2.2;;-5.19;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM390110;MM390110;C=CN=C(CCOC)NC;AMVDDJITIRVGOY-UHFFFAOYSA-N;142.2;0.78;;;;;DOPC;MDCG;27;1;"MARTINI bead: Na_Nd";;;;;;;0.87;;-5.91;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM390111;MM390111;C=COC(OC=C)C(=O)O;RWHNCYNQSXUCPI-UHFFFAOYSA-N;144.13;0.72;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_C5";;;;;;;0.81;;-4.5;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM390112;MM390112;CON=C(C)C(C)C#N;GUVRZTBJBOPVGK-UHFFFAOYSA-N;126.16;1.17;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_C5";;;;;;;0.54;;-1.09;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM390113;MM390113;CCCC1CCC(O)C1;IKOXJOTULSXNNR-UHFFFAOYSA-N;128.22;1.95;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC1_SNda";;;;;;;2.91;;0.57;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM390114;MM390114;C#CC(C(=C)C)C(=O)OC;NDYROKZZAAOVLY-UHFFFAOYSA-N;138.17;0.98;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_C4";;;;;;;1.37;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM390115;MM390115;CCOCC(=CF)NC=O;OJGFCQUFCHVQJG-UHFFFAOYSA-N;147.15;0.58;;;;;DOPC;MDCG;27;0;"MARTINI bead: P3_C4";;;;;;;0.23;;-1.03;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM390116;MM390116;C#CC(C(=N)N)C(=O)OC;BFTWYUIIMATMQC-UHFFFAOYSA-N;140.14;-0.66;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1_P1";;;;;;;-0.79;;-4.82;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM390117;MM390117;C=CN=C(COCC)NC;MOEQFBXYNCIELJ-UHFFFAOYSA-N;142.2;0.78;;;;;DOPC;MDCG;27;1;"MARTINI bead: Na_Nd";;;;;;;0.87;;-5.08;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM390118;MM390118;C#CC(C(=C)C)C(=C)C=O;YXVPHJLLJAQMRD-UHFFFAOYSA-N;134.18;1.57;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4_Na";;;;;;;2.2;;0.34;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM390119;MM390119;CCOCC(=NN)NC=O;NIWANGDGZKXNOX-UHFFFAOYSA-N;145.16;-0.96;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_P4";;;;;;;-1.19;;-4.76;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM390120;MM390120;C#CC(C(=C)C)C(=C)C#N;HVBBUGRCIINEQK-UHFFFAOYSA-N;131.18;1.89;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4_N0";;;;;;;2.5;;0.44;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM390121;MM390121;C=CCn1cc(N)nn1;MUSKRSNKYQBWJI-UHFFFAOYSA-N;124.15;0.05;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP2_SNa";;;;;;;-0.24;;-3.24;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM390122;MM390122;C#CC(C(=C)C=C)C(C)=O;GVXADLTVNLPGMY-UHFFFAOYSA-N;134.18;1.57;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_C4";;;;;;;2.2;;0.34;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM390123;MM390123;CC=C(CNCC)OC=O;AMDDGRIESIPABX-UHFFFAOYSA-N;143.19;0.67;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1_C4";;;;;;;1.37;;-1.17;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM390124;MM390124;C#CC(C(=C)C=O)C(C)=O;IYSKNTIWMPUABL-UHFFFAOYSA-N;136.15;0.58;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_Na";;;;;;;0.87;;-2.22;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM390125;MM390125;NN=c1nc(N)on1N;OLCGVSAJYCLBLU-UHFFFAOYSA-N;130.11;-2.45;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP3_SP1";;;;;;;-1.93;;-4.72;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM390126;MM390126;C#CC(C(=C)C#N)C(C)=O;TVMVULAKMFVNOH-UHFFFAOYSA-N;133.15;0.9;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_N0";;;;;;;1.17;;-1.18;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM390127;MM390127;N=c1nc(O)nnc(=O)[nH]1;FITXDCIORRVCRC-UHFFFAOYSA-N;141.09;-2.26;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP4_SP4";;;;;;;-3.24;;-10.91;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM390128;MM390128;C#CC(C(=C)C)C(=O)C=C;JTZHLYYIZGPGCP-UHFFFAOYSA-N;134.18;1.57;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4_Na";;;;;;;2.2;;0.34;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM390129;MM390129;C=CCC(=NC)NCCN;IXIJRAULARSEPA-UHFFFAOYSA-N;141.22;0.14;;;;;DOPC;MDCG;27;1;"MARTINI bead: P3_C4";;;;;;;0.23;;-4.71;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM390130;MM390130;C#CC(C(=C)C)C(=O)C#N;MHHMAIDAXLQTHA-UHFFFAOYSA-N;133.15;0.9;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4_P1";;;;;;;1.37;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM390131;MM390131;CCCN=C(CC#N)NC;NXQWKWXARGBOPQ-UHFFFAOYSA-N;139.2;0.93;;;;;DOPC;MDCG;27;1;"MARTINI bead: C3_P2";;;;;;;1.46;;-1.85;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM390132;MM390132;C#CC(C(C)=O)C(=O)C=C;BHOITMRFPFXMDW-UHFFFAOYSA-N;136.15;0.58;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_Na";;;;;;;0.87;;-2.22;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM390133;MM390133;N#CCC(=NO)NCCF;KXSFYCMYOSGITR-UHFFFAOYSA-N;145.14;0.25;;;;;DOPC;MDCG;27;0;"MARTINI bead: P4_C5";;;;;;;-0.41;;-2.78;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM390134;MM390134;C#CC(C(=N)N)C(=O)C#N;WEZZUWTWLNOTHT-UHFFFAOYSA-N;135.13;-0.74;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1_P1";;;;;;;-0.79;;-5.14;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM390135;MM390135;C=CNC(=NC)NCCN;GZYVBZUSQCVRBJ-UHFFFAOYSA-N;142.21;-0.75;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1_P1";;;;;;;-0.79;;-7.92;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM390136;MM390136;C#CC(C(=C)F)C(=O)C=C;ULUFSFWKUMNDFO-UHFFFAOYSA-N;138.14;1.47;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_Na";;;;;;;1.64;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM390137;MM390137;C=CNC(=NC)NCCO;VESQHQARMDMJCG-UHFFFAOYSA-N;143.19;-0.71;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1_P1";;;;;;;-0.79;;-7.49;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM390138;MM390138;C#CC(C(=C)F)C(=O)C=O;ZTJOOOXVJRXSOB-UHFFFAOYSA-N;140.11;0.49;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_P1";;;;;;;0.81;;-0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM390139;MM390139;CN=C(NC=N)NCCN;DQEXZWIEQLDLDJ-UHFFFAOYSA-N;143.19;-1.28;;;;;DOPC;MDCG;27;1;"MARTINI bead: P3_P1";;;;;;;-1.93;;-8.26;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM390140;MM390140;C#CC(=C)C(C#C)C(=N)N;PAYRTEFBQGQTFR-UHFFFAOYSA-N;132.17;0.36;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1_N0";;;;;;;0.34;;-4.5;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM390141;MM390141;CN=C(NC=O)NCCO;LRNCJKVEXSBUMA-UHFFFAOYSA-N;145.16;-1.7;;;;;DOPC;MDCG;27;1;"MARTINI bead: P3_P1";;;;;;;-1.93;;-6.24;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM390142;MM390142;C#CC(=O)C(C#C)C(=C)C;RYWWWHLZUYRTNQ-UHFFFAOYSA-N;132.16;1.01;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4_P1";;;;;;;1.37;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM390143;MM390143;C=CNC(=NN)NCCO;LCAGKEMBEVUBEF-UHFFFAOYSA-N;144.18;-1.47;;;;;DOPC;MDCG;27;1;"MARTINI bead: P2_P1";;;;;;;-1.06;;-6.71;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM390144;MM390144;C#CC(=O)C(C#C)C(=N)N;ICTATTNGKITRDM-UHFFFAOYSA-N;134.14;-0.63;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1_P1";;;;;;;-0.79;;-5.18;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM390145;MM390145;N=CNC(=NN)NCCO;LBTMRNCISSBDQS-UHFFFAOYSA-N;145.17;-2.01;;;;;DOPC;MDCG;27;1;"MARTINI bead: P4_P1";;;;;;;-2.01;;-7.57;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM390146;MM390146;CC(=CF)C(CN)C(C)C;JBRCPDCKLLLNCT-UHFFFAOYSA-N;145.22;2.09;;;;;DOPC;MDCG;27;1;"MARTINI bead: P2_C1";;;;;;;1.8;;-1.62;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM390147;MM390147;N=CNC(=NO)NCCN;IWBZPOMQPWEIBA-UHFFFAOYSA-N;145.17;-1.52;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1_P4";;;;;;;-2.01;;-6.76;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM390148;MM390148;CC=C(C)C(CN)C(C)N;AWQCLBGCMVBQJN-UHFFFAOYSA-N;142.25;0.87;;;;;DOPC;MDCG;27;1;"MARTINI bead: C5_P1";;;;;;;0.81;;-3.34;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM390149;MM390149;N=CNC(=NO)NCCO;PSRAQPYGUUGTNP-UHFFFAOYSA-N;146.15;-1.49;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1_P4";;;;;;;-2.01;;-6.71;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM390150;MM390150;CC=C(C)C(CF)C(C)N;RIBANIYRSHUVDQ-UHFFFAOYSA-N;145.22;1.89;;;;;DOPC;MDCG;27;1;"MARTINI bead: C1_P1";;;;;;;2.08;;-1.29;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM390151;MM390151;CNc1nnn(N)c1C;ZELKVXPHBHGRLS-UHFFFAOYSA-N;127.15;-0.66;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP1_SP2";;;;;;;-1.06;;-3.82;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM390152;MM390152;CC(=CF)C(CF)C(C)N;DAGBACLFKBCVFU-UHFFFAOYSA-N;149.18;1.79;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nda_Na";;;;;;;0.87;;-4.91;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM390153;MM390153;CCCC1CC1C(C)O;UABWSENGLRTIQW-UHFFFAOYSA-N;128.22;1.8;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC2_P1";;;;;;;2;;0.29;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM390154;MM390154;CC(=CF)C(CF)C(C)O;FDTKXNNUNALKIM-UHFFFAOYSA-N;150.17;1.83;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_C4";;;;;;;1.37;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM390155;MM390155;CCC1=CCC(O)CC1;FGXDNDHDFNGONI-UHFFFAOYSA-N;126.2;1.87;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC1_SNda";;;;;;;2.91;;0.57;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM390156;MM390156;CC=C(C)C(CN)C(C)F;DPUQMFRQYRBFFI-UHFFFAOYSA-N;145.22;1.89;;;;;DOPC;MDCG;27;1;"MARTINI bead: C1_P2";;;;;;;1.8;;-1.55;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM390157;MM390157;C=NNC(=NC)NNCC;HLIQLBFNZBXWGW-UHFFFAOYSA-N;143.19;-0.71;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1_P1";;;;;;;-0.79;;-5.1;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM390158;MM390158;CC=C(C)C(CN)C(F)F;BDMXSNLGKDUJHZ-UHFFFAOYSA-N;149.18;1.79;;;;;DOPC;MDCG;27;1;"MARTINI bead: C5_N0";;;;;;;1.94;;-1.35;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM390159;MM390159;C=NNCC=CCC=O;RIWGPSMQMAZBLL-UHFFFAOYSA-N;126.16;0.34;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nd_Na";;;;;;;0.87;;-1.88;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM390160;MM390160;CC(=CF)C(CN)C(F)F;DYTGZTDRNLZGHU-UHFFFAOYSA-N;153.15;1.7;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nda_N0";;;;;;;1.17;;-3.72;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM390161;MM390161;O=COC(=NO)NCCO;GUDRFWGMNCDSCS-UHFFFAOYSA-N;148.12;-1.51;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_P2";;;;;;;-1.06;;-3.82;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM390162;MM390162;CC(=CF)C(CF)C(F)F;XHWSUUCOOZQFGK-UHFFFAOYSA-N;156.12;2.71;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4_N0";;;;;;;2.5;;0.44;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM390163;MM390163;C#CCC(C)=CC(C)(C)O;CTCIZQVZPBRIJU-UHFFFAOYSA-N;138.21;1.73;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4_Nda";;;;;;;2.2;;0.49;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM390164;MM390164;CC=C(F)C(CN)C(C)C;FAYXYSYFKPJBRD-UHFFFAOYSA-N;145.22;2.09;;;;;DOPC;MDCG;27;1;"MARTINI bead: C4_C5";;;;;;;2.97;;0.04;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM390165;MM390165;CN(N)C(=O)CC(C)(C)F;ZYONUDGSCKVFJL-UHFFFAOYSA-N;148.18;0.46;;;;;DOPC;MDCG;27;0;"MARTINI bead: P4_C4";;;;;;;0.15;;-2.18;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM390166;MM390166;CC(N)C(CN)C(F)=CF;HBDSUOQVBQMNCQ-UHFFFAOYSA-N;150.17;0.69;;;;;DOPC;MDCG;27;1;"MARTINI bead: P2_Nda";;;;;;;-0.24;;-6.05;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM390167;MM390167;C=NOC(=NO)NCCC;UTCAZSCMXCHOJW-UHFFFAOYSA-N;145.16;0.36;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nd_Nda";;;;;;;0.87;;-1.92;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM390168;MM390168;CC=C(F)C(CF)C(C)N;DOVQJEHROZBVPX-UHFFFAOYSA-N;149.18;1.79;;;;;DOPC;MDCG;27;1;"MARTINI bead: C5_Na";;;;;;;1.64;;-2.77;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM390169;MM390169;C=NOC(=NO)NCCO;PVKYNBHNUQTDHE-UHFFFAOYSA-N;147.13;-1.05;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_P1";;;;;;;-0.79;;-3.13;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM390170;MM390170;CC=C(F)C(CN)C(C)F;LNIYKDUWDSBNFA-UHFFFAOYSA-N;149.18;1.79;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nda_C5";;;;;;;1.64;;-2.48;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM390171;MM390171;CC(C#N)=CCC(C)(C)O;HGAQIZYLBKSIQY-UHFFFAOYSA-N;139.2;1.62;;;;;DOPC;MDCG;27;0;"MARTINI bead: N0_Nda";;;;;;;1.17;;-1.13;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM390172;MM390172;C=C(C(C)O)C(C)(C)CC;CIASUWDFJZJVOE-UHFFFAOYSA-N;142.24;2.36;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1_Nda";;;;;;;2.91;;0.57;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM390173;MM390173;CCC(C(C)=NO)C(C)N;LCOVNBORKAUZKL-UHFFFAOYSA-N;144.22;1.21;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1_C5";;;;;;;0.81;;-4.51;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM390174;MM390174;CC=C(NC=N)OCCF;CQMWSNVMHDPPFM-UHFFFAOYSA-N;146.17;1.03;;;;;DOPC;MDCG;27;1;"MARTINI bead: P3_C4";;;;;;;0.23;;-3.3;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM390175;MM390175;CC=C(C)C(NC)C(C)C;PGLJODJUFRQQBV-UHFFFAOYSA-N;141.26;2.2;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_C2";;;;;;;2.83;;-0.76;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM390176;MM390176;CC=C(NC=O)OCCF;CLBIPUYXEDOSHV-UHFFFAOYSA-N;147.15;0.58;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_C5";;;;;;;0.54;;-1.09;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM390177;MM390177;CNC(C(C)=CF)C(C)C;ZKIZSDBUWOYESY-UHFFFAOYSA-N;145.22;2.1;;;;;DOPC;MDCG;27;1;"MARTINI bead: P2_C1";;;;;;;1.8;;-1.25;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM390178;MM390178;N=CNC(=CF)OCCN;MBAWKWDNWPCTDO-UHFFFAOYSA-N;147.15;-0.07;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1_P1";;;;;;;-0.79;;-4.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM390179;MM390179;CC=C(C)C(NC)C(C)F;LHCMNMUHMUTONP-UHFFFAOYSA-N;145.22;1.9;;;;;DOPC;MDCG;27;1;"MARTINI bead: C5_Nd";;;;;;;1.64;;-1.03;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM390180;MM390180;O=CNC(=CF)OCCO;MIQAUSWCDVUHBY-UHFFFAOYSA-N;149.12;-0.49;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_P1";;;;;;;-0.79;;-3.13;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM390181;MM390181;CNC(C(C)=CF)C(F)F;UXAWLPVYTRKRNL-UHFFFAOYSA-N;153.15;1.71;;;;;DOPC;MDCG;27;0;"MARTINI bead: N0_Nda";;;;;;;1.17;;-1.13;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM390182;MM390182;CN=C(NC=O)OCCF;IJPQYVDYVUXRGI-UHFFFAOYSA-N;148.14;-0.3;;;;;DOPC;MDCG;27;0;"MARTINI bead: P3_C5";;;;;;;-0.33;;-2.01;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM390183;MM390183;CNC(C(C)=NN)C(C)C;LRNGUMDXHKZANT-UHFFFAOYSA-N;143.23;0.57;;;;;DOPC;MDCG;27;1;"MARTINI bead: C4_P3";;;;;;;0.23;;-2.13;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM390184;MM390184;NN=C(NC=O)OCCO;FSHDLHKLJGHRQQ-UHFFFAOYSA-N;147.13;-2.03;;;;;DOPC;MDCG;27;0;"MARTINI bead: P4_P1";;;;;;;-2.01;;-5.13;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM390185;MM390185;CNC(C(C)=NO)C(C)C;FFQCMLTYSUMMIK-UHFFFAOYSA-N;144.22;1.08;;;;;DOPC;MDCG;27;1;"MARTINI bead: C4_P3";;;;;;;0.23;;-2.42;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM390186;MM390186;C=CNC(=NO)OCCO;DYJHFVBPPYZIIX-UHFFFAOYSA-N;146.15;-0.53;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_P2";;;;;;;-1.06;;-3.82;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM390187;MM390187;CC=C(C)C(CN)N(C)C;XNFXHOSHEKTFNW-UHFFFAOYSA-N;142.25;0.84;;;;;DOPC;MDCG;27;1;"MARTINI bead: C5_P1";;;;;;;0.81;;-2.5;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM390188;MM390188;NCCOC(=NO)NC=O;NWZWJZIYKXBOJL-UHFFFAOYSA-N;147.13;-1.55;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1_P4";;;;;;;-2.01;;-6.78;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM390189;MM390189;CC(=NN)C(CF)N(C)C;VANSOZNLLJDASW-UHFFFAOYSA-N;147.2;0.22;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_Nda";;;;;;;0.04;;-2.73;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM390190;MM390190;O=CNC(=NO)OCCO;JZYIVLGBZSGFIX-UHFFFAOYSA-N;148.12;-1.51;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_P4";;;;;;;-2.01;;-5.13;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM390191;MM390191;CCN(C(C)=NN)C(C)C;YQSCJEDMJLDMFJ-UHFFFAOYSA-N;143.23;1.01;;;;;DOPC;MDCG;27;1;"MARTINI bead: C5_Nd";;;;;;;1.64;;-1.81;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM390192;MM390192;C=CC(O)CC(C)(C)CC;FEUYFEJVIXJSLO-UHFFFAOYSA-N;142.24;2.36;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1_Nda";;;;;;;2.91;;0.57;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM390193;MM390193;CN=C(C)N(NC)C(C)C;UBIDCZMMMKYNCB-UHFFFAOYSA-N;143.23;0.88;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1_N0";;;;;;;0.34;;-3.99;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM390194;MM390194;C=CNC(=NO)OCOC;JPMRCOJVELITIK-UHFFFAOYSA-N;146.15;0.09;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_P2";;;;;;;-1.06;;-3.82;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM390195;MM390195;COC=NN=C(C)NOC;CAISYQXEDLEFAO-UHFFFAOYSA-N;145.16;0.15;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_C5";;;;;;;0.54;;-1.09;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM390196;MM390196;C=CC(=C)CC1CC1(C)O;ALKXLPJRDDMBTH-UHFFFAOYSA-N;138.21;1.89;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNda_C3";;;;;;;2.57;;0.44;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM390197;MM390197;CC=C(C)C(C=O)C(C)C;MNRLYZZWIKQELD-UHFFFAOYSA-N;140.23;2.42;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4_C3";;;;;;;3.9;;0.47;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM390198;MM390198;NN=C(OC=O)OCCO;WZEQZGJQFLYRJT-UHFFFAOYSA-N;148.12;-1.6;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_P1";;;;;;;-1.06;;-3.82;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM390199;MM390199;CC=C(C)C(C#N)C(C)C;KDJAWEONROOVQN-UHFFFAOYSA-N;137.23;2.75;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_C3";;;;;;;3.34;;0.48;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM390200;MM390200;NCCOC(=NO)OC=O;IAZHYKZVWSTUKN-UHFFFAOYSA-N;148.12;-1.12;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1_P2";;;;;;;-1.06;;-6.14;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM390201;MM390201;CC(=CF)C(C#N)C(C)C;OFLVJCXBXNCSKD-UHFFFAOYSA-N;141.19;2.66;;;;;DOPC;MDCG;27;0;"MARTINI bead: C3_Na";;;;;;;2.57;;0.45;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM390202;MM390202;O=COC(=NO)OCCO;QNRYJWARRRVTDT-UHFFFAOYSA-N;149.1;-1.09;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_P2";;;;;;;-1.06;;-3.82;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM390203;MM390203;C=CC(C(C)=CC)C(C)N;QVXCRKCOPWDGDG-UHFFFAOYSA-N;139.24;2.1;;;;;DOPC;MDCG;27;1;"MARTINI bead: C1_P1";;;;;;;2.08;;-1.33;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM390204;MM390204;C=NOC(=NO)OCCC;NJFKTEYRTXQNIX-UHFFFAOYSA-N;146.15;0.79;;;;;DOPC;MDCG;27;0;"MARTINI bead: C3_P1";;;;;;;1.74;;0.3;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM390205;MM390205;CC=C(C)C(C=O)C(C)O;CXCFBFDBEURCTA-UHFFFAOYSA-N;142.2;1.15;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4_P1";;;;;;;1.37;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM390206;MM390206;C=NOC(=NO)OCCN;JSCVSSOABWBOKT-UHFFFAOYSA-N;147.13;-0.66;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1_P1";;;;;;;-0.79;;-5.45;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM390207;MM390207;C=CC(C(F)=CF)C(C)C;VLIUFESHHUURJP-UHFFFAOYSA-N;146.18;3.23;;;;;DOPC;MDCG;27;0;"MARTINI bead: C3_C3";;;;;;;4.27;;0.2;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM390208;MM390208;C=CCC(=CC)CCC=O;IBAUIYZQODHTQA-UHFFFAOYSA-N;138.21;2.49;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1_Na";;;;;;;2.91;;0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM390209;MM390209;CC=C(F)C(C=O)C(C)C;UTXLDQPGPQRTEL-UHFFFAOYSA-N;144.19;2.33;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_C3";;;;;;;3.34;;0.48;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM390210;MM390210;C=CCCC(=CC)CC=O;XZEYLYSBXQTVHL-UHFFFAOYSA-N;138.21;2.49;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1_Na";;;;;;;2.91;;0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM390211;MM390211;CC(C)C(C=O)C(F)=CF;RDKAYQDQUOCPMJ-UHFFFAOYSA-N;148.15;2.24;;;;;DOPC;MDCG;27;0;"MARTINI bead: C3_Na";;;;;;;2.57;;0.45;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM390212;MM390212;CC=C(CC=O)CCC=O;VMQPUMKDMYCYCO-UHFFFAOYSA-N;140.18;1.5;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4_Na";;;;;;;2.2;;0.34;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM390213;MM390213;C=CC(C(F)=CC)C(C)N;WCHFYZOERPXJCN-UHFFFAOYSA-N;143.21;2.01;;;;;DOPC;MDCG;27;1;"MARTINI bead: C4_Nd";;;;;;;2.2;;-2.3;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM390214;MM390214;CC=C(CC#N)CCC#N;GSQJWYYGJUUQGG-UHFFFAOYSA-N;134.18;2.15;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_P1";;;;;;;0.81;;-0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM390215;MM390215;CC(O)C(C#N)C(F)=CF;VHVRVEXNDKMRCW-UHFFFAOYSA-N;147.12;1.29;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_C5";;;;;;;0.81;;-0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM390216;MM390216;C=CCC(=CF)CCC=O;SMGJCMJFQUIREK-UHFFFAOYSA-N;142.17;2.4;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_C3";;;;;;;2.57;;0.45;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM390217;MM390217;C=CC(C(F)=CF)C(F)F;OWZPPTUBLZHDHI-UHFFFAOYSA-N;154.11;2.83;;;;;DOPC;MDCG;27;0;"MARTINI bead: C3_N0";;;;;;;2.87;;0.37;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM390218;MM390218;C=CCCC(=CF)CC=O;LLWRIWSCXRTOKD-UHFFFAOYSA-N;142.17;2.4;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_C4";;;;;;;2.2;;0.34;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM390219;MM390219;CC(=NO)C(C=O)C(C)C;IVFWEEBJNVAFCJ-UHFFFAOYSA-N;143.19;1.31;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_P1";;;;;;;0.81;;-0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM390220;MM390220;O=CCCC(=CF)CC=O;VEBLJXVXVHOZQK-UHFFFAOYSA-N;144.15;1.41;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_Na";;;;;;;0.87;;-2.22;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM390221;MM390221;CC=C(C)C(C#N)N(C)C;UDTCCEUVOJSNCP-UHFFFAOYSA-N;138.21;1.41;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_P1";;;;;;;0.81;;-0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM390222;MM390222;C=CCCC(CC=C)=NN;HXXLVNURHOVJDQ-UHFFFAOYSA-N;138.21;1.84;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_C4";;;;;;;2.97;;0.45;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM390223;MM390223;CN(C)C(C#N)C(F)=CF;VNGYWGYTBJRAMM-UHFFFAOYSA-N;146.14;1.22;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_C5";;;;;;;0.81;;-0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM390224;MM390224;C=CCC(CCC=O)=NO;YJHBSEWIBUUOFN-UHFFFAOYSA-N;141.17;1.37;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_Nda";;;;;;;0.87;;-1.99;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM390225;MM390225;CC(=NO)C(C=O)N(C)C;MPFPKZDKEBWMLP-UHFFFAOYSA-N;144.17;-0.03;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_P1";;;;;;;-0.79;;-3.13;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM390226;MM390226;CC=C(CC=O)CN=CN;IROFAERAYYAUDR-UHFFFAOYSA-N;140.19;0.51;;;;;DOPC;MDCG;27;1;"MARTINI bead: C5_P2";;;;;;;0.54;;-4.17;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM390227;MM390227;CC=C(C)N(C=N)N(C)C;UAQHHWPTEKMVJO-UHFFFAOYSA-N;141.22;1.3;;;;;DOPC;MDCG;27;1;"MARTINI bead: C2_P4";;;;;;;0.77;;-3.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM390228;MM390228;C=CCC(=CF)CNC=N;LYWUMSPFIASDHB-UHFFFAOYSA-N;142.18;1.61;;;;;DOPC;MDCG;27;1;"MARTINI bead: C3_P3";;;;;;;0.6;;-4.45;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM390229;MM390229;CC=C(C)N(C=O)N(C)C;HINLJTPMUFSODB-UHFFFAOYSA-N;142.2;0.85;;;;;DOPC;MDCG;27;0;"MARTINI bead: C2_P3";;;;;;;0.86;;-0.3;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM390230;MM390230;C=CCC(=CC)CNN=C;BSFXDKQJLGDMPN-UHFFFAOYSA-N;138.21;1.71;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1_P2";;;;;;;1.8;;0.41;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM390231;MM390231;C=CN(C(C)=NC)N(C)C;NAPOLEUFJFPGMQ-UHFFFAOYSA-N;141.22;0.96;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1_N0";;;;;;;0.34;;-4.28;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM390232;MM390232;C=C(C=O)CC1CC1(C)O;MDTKJNRUZKJMKK-UHFFFAOYSA-N;140.18;0.9;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNda_Na";;;;;;;0.87;;-1.99;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM390233;MM390233;C#CCC(=C)C(O)CC=C;UDCYIVUINSPKQY-UHFFFAOYSA-N;136.19;1.5;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4_Nda";;;;;;;2.2;;0.49;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM390234;MM390234;C=CCC(=CF)CNN=C;OCSUZKOMROHMGT-UHFFFAOYSA-N;142.18;1.62;;;;;DOPC;MDCG;27;0;"MARTINI bead: C3_P2";;;;;;;1.46;;-0.15;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM390235;MM390235;C#CC(C(C)=CC)C(C)C;ZICAZJYWQXDJSH-UHFFFAOYSA-N;136.24;2.86;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1_C3";;;;;;;4.61;;0.31;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM390236;MM390236;C=CCC(CNC=N)=NN;NSHVLIHKAOWLEX-UHFFFAOYSA-N;140.19;0.07;;;;;DOPC;MDCG;27;1;"MARTINI bead: C5_P3";;;;;;;-0.33;;-5.44;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM390237;MM390237;C#CC(C(C)=CF)C(C)C;XLOLXBLPIIOJLZ-UHFFFAOYSA-N;140.2;2.77;;;;;DOPC;MDCG;27;0;"MARTINI bead: C3_C4";;;;;;;3.9;;0.47;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM390238;MM390238;CC(CC#N)=NNC(C)C;CEVFLGWFRCAZFL-UHFFFAOYSA-N;139.2;1.27;;;;;DOPC;MDCG;27;0;"MARTINI bead: C3_P1";;;;;;;1.74;;0.29;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM390239;MM390239;C#CC(C(C)=CC)C(C)N;YJCDXGXLIZURAH-UHFFFAOYSA-N;137.23;1.55;;;;;DOPC;MDCG;27;1;"MARTINI bead: C1_P1";;;;;;;2.08;;-1.03;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM390240;MM390240;C=CCC(CNC=O)=NO;YOOBGDFLPLMRQQ-UHFFFAOYSA-N;142.16;0.14;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_P3";;;;;;;-0.33;;-2.01;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM390241;MM390241;C#CC(C(C)=CF)C(C)N;UOAAWFBNTFURNT-UHFFFAOYSA-N;141.19;1.46;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1_C4";;;;;;;1.37;;-2.59;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM390242;MM390242;C=CCC(=CC)COC=O;OFGHRMMWNPKNGB-UHFFFAOYSA-N;140.18;1.68;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1_P1";;;;;;;2.08;;0.48;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM390243;MM390243;C=C(C)C(O)CCC=CC;YIUMJDWKYZGCOL-UHFFFAOYSA-N;140.23;2.28;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1_Nda";;;;;;;2.91;;0.57;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM390244;MM390244;CC=C(CC=O)COC=O;GTHANHOVEBLIIV-UHFFFAOYSA-N;142.15;0.69;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_P1";;;;;;;0.81;;-0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM390245;MM390245;C#CC(C(C)=CF)C(C)O;CHIAVJKPWQISAW-UHFFFAOYSA-N;142.17;1.49;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_C4";;;;;;;1.37;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM390246;MM390246;CC=C(CC#N)COC=O;LHPKMMIGBREYPO-UHFFFAOYSA-N;139.15;1.02;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_P1";;;;;;;0.81;;-0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM390247;MM390247;C#CC(C(C)=CF)C(C)F;QJWLZJYXEQMMJN-UHFFFAOYSA-N;144.16;2.47;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_C4";;;;;;;2.97;;0.45;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM390248;MM390248;CCC(C)ON=CC(C)=O;MYIOPAHDBOREHR-UHFFFAOYSA-N;143.19;1.38;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1_P2";;;;;;;1.8;;0.4;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM390249;MM390249;C#CC(C(F)=CF)C(C)C;YHDPICXYDVQVNI-UHFFFAOYSA-N;144.16;2.67;;;;;DOPC;MDCG;27;0;"MARTINI bead: C3_C4";;;;;;;3.9;;0.47;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM390250;MM390250;O=CNN(C=O)CC(=O)O;WJIYENWAMYZMJM-UHFFFAOYSA-N;146.1;-1.81;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_P4";;;;;;;-2.01;;-8.76;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM390251;MM390251;C#CC(C(F)=CF)C(C)N;ABIGJUWGDYEFAF-UHFFFAOYSA-N;145.15;1.36;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1_C4";;;;;;;1.37;;-2.5;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM390252;MM390252;O=CCCC(=CF)NC=O;FUKUJEOIBFOCBS-UHFFFAOYSA-N;145.13;0.52;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_Na";;;;;;;0.04;;-2.54;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM390253;MM390253;C#CC(C(F)=CC)C(C)O;YHSPPFUUNKUQRN-UHFFFAOYSA-N;142.17;1.49;;;;;DOPC;MDCG;27;0;"MARTINI bead: C3_P1";;;;;;;1.74;;0.29;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM390254;MM390254;C=CNC(CCC#N)=NC;RHZZREDNBPSZMH-UHFFFAOYSA-N;137.19;1.05;;;;;DOPC;MDCG;27;1;"MARTINI bead: N0_P1";;;;;;;0.34;;-5.44;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM390255;MM390255;C#CC(C(F)=CF)C(C)O;OXHIKERWAAQLGT-UHFFFAOYSA-N;146.14;1.4;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_C4";;;;;;;1.37;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM390256;MM390256;C#CC(N)=NN=CC(C)=O;NSQUUHJFFJYTKZ-UHFFFAOYSA-N;137.14;-0.45;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_Nd";;;;;;;0.87;;-1.88;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM390257;MM390257;C#CC(C(C)=NO)C(C)C;ADAJFROVOFJLFN-UHFFFAOYSA-N;139.2;1.74;;;;;DOPC;MDCG;27;0;"MARTINI bead: C3_P1";;;;;;;1.74;;0.29;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM390258;MM390258;C=CCCC(=NN)NC=O;JKRBOXWJVXPMCM-UHFFFAOYSA-N;141.17;-0.03;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_P3";;;;;;;-0.33;;-2.01;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM390259;MM390259;C#CC(C(C)=NO)C(C)F;VLJGHFUBKPTBGM-UHFFFAOYSA-N;143.16;1.44;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4_P1";;;;;;;1.37;;-0.05;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM390260;MM390260;CN=C(CNC=N)NC=N;QLLYNQQRAHQDNP-UHFFFAOYSA-N;141.18;-0.59;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1_P3";;;;;;;-1.93;;-7.87;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM390261;MM390261;C=C(C)C(CN)C(C)=CF;IYXWEPJTILVDFC-UHFFFAOYSA-N;143.21;2.01;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_C4";;;;;;;2.2;;-2.14;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM390262;MM390262;N=CNCC(=NN)NC=N;KXIOAQOSNYAPIK-UHFFFAOYSA-N;142.17;-1.35;;;;;DOPC;MDCG;27;1;"MARTINI bead: P2_P3";;;;;;;-2.2;;-8.31;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM390263;MM390263;CC(=O)C(CF)C(C)=CF;FLEFOIYTKSJONP-UHFFFAOYSA-N;148.15;2.03;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_C4";;;;;;;1.37;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM390264;MM390264;C=CNC(CNC=N)=NO;GZQRMXMNWOUABS-UHFFFAOYSA-N;142.16;-0.3;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nda_P3";;;;;;;-1.1;;-7.5;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM390265;MM390265;C=C(C)C(O)CCC=CF;OXBPHFZIFOCIKG-UHFFFAOYSA-N;144.19;2.19;;;;;DOPC;MDCG;27;0;"MARTINI bead: N0_C4";;;;;;;2.5;;0.44;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM390266;MM390266;C=CNC(CNC=O)=NO;RHAPGHNTKYNLJB-UHFFFAOYSA-N;143.15;-0.75;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda_P3";;;;;;;-1.1;;-3.97;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM390267;MM390267;CCC(C(N)=O)C(C)=CF;GDRBSEZUAKHFSO-UHFFFAOYSA-N;145.18;1.37;;;;;DOPC;MDCG;27;0;"MARTINI bead: P3_C1";;;;;;;0.94;;0.03;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM390268;MM390268;N=CNCC(=NO)NC=N;JGMVVMQBAJALPF-UHFFFAOYSA-N;143.15;-0.83;;;;;DOPC;MDCG;27;1;"MARTINI bead: P2_P3";;;;;;;-2.2;;-8.68;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM390269;MM390269;CC=C(C)C(CN)C(N)=O;HUIKTKAFXISULX-UHFFFAOYSA-N;142.2;0.01;;;;;DOPC;MDCG;27;1;"MARTINI bead: C5_P3";;;;;;;-0.33;;-3.68;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM390270;MM390270;C=CNC(CNN=C)=NC;JBUIBFMGWXSEMQ-UHFFFAOYSA-N;140.19;-0.05;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_P2";;;;;;;-0.24;;-5.49;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM390271;MM390271;CC=C(C)C(CF)C(N)=O;PIKKDKZPLJJJSF-UHFFFAOYSA-N;145.18;1.02;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1_P3";;;;;;;0.94;;0.03;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM390272;MM390272;C=NNCC(=NC)NC=N;GTRJNNTUYPZLJZ-UHFFFAOYSA-N;141.18;-0.58;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1_P1";;;;;;;-0.79;;-4.58;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM390273;MM390273;CC=C(C)C(CF)C(=O)O;REBJDVFUNPYOST-UHFFFAOYSA-N;146.16;1.62;;;;;DOPC;MDCG;27;-1;"MARTINI bead: C2_P1";;;;;;;2;;-1.42;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM390274;MM390274;CCCC(O)C=C(C)CC;PIFOYUKCOGCSNO-UHFFFAOYSA-N;142.24;2.5;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda_C1";;;;;;;2.91;;0.57;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM390275;MM390275;CC(=NO)C(CO)C(=N)N;FPYHLHGXUSZCKV-UHFFFAOYSA-N;145.16;-0.62;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1_P4";;;;;;;-2.01;;-8.71;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM390276;MM390276;C=NOCC(=CF)NC=N;REAYPTONTDXETE-UHFFFAOYSA-N;145.14;0.63;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nda_P1";;;;;;;0.04;;-4.3;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM390277;MM390277;CC(C)C(O)C=CC=CF;KGYGNIPKFKEYAM-UHFFFAOYSA-N;144.19;2.04;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda_C4";;;;;;;2.2;;0.49;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM390278;MM390278;CC(F)CC(=O)N(C)C=N;NLQCHQHZFRBKSH-UHFFFAOYSA-N;146.17;0.8;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_P3";;;;;;;-0.33;;-2.01;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM390279;MM390279;CCC(C(N)=O)C(C)=NO;BAVNAOWRCSCGGY-UHFFFAOYSA-N;144.17;0.35;;;;;DOPC;MDCG;27;0;"MARTINI bead: P3_C5";;;;;;;-0.33;;-2.01;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM390280;MM390280;CN=C(COC=O)NC=N;IZUUCDRJVISFBN-UHFFFAOYSA-N;143.15;-0.62;;;;;DOPC;MDCG;27;1;"MARTINI bead: P2_P1";;;;;;;-1.06;;-5.07;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM390281;MM390281;O=C(O)C(O)CF;UYIAUFVPRSSBGY-UHFFFAOYSA-N;108.07;-0.6;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_P1";;;;;;;-1.06;;-7.81;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM390282;MM390282;C=CC1(O)CC(C=CC)C1;LMOKFEQCXIUSDU-UHFFFAOYSA-N;138.21;1.89;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC2_SNda";;;;;;;2.83;;0.57;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM390283;MM390283;C=C(C#CC)C(C)C(C)O;QAQTWYRZQMZCKO-UHFFFAOYSA-N;138.21;1.58;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1_P1";;;;;;;2.08;;0.48;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM390284;MM390284;CC=C(CNC=O)OC=O;ZQQJKRFQISGKBI-UHFFFAOYSA-N;143.14;-0.19;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda_P1";;;;;;;0.04;;-2.73;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM390285;MM390285;C=C(C)C(NC)C(C)=CC;CIZNXLFIOTXYFS-UHFFFAOYSA-N;139.24;2.12;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_C2";;;;;;;2.83;;-0.02;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM390286;MM390286;C=C(C)C(NC)C(C)=CF;UPPHKIGSSHVLIE-UHFFFAOYSA-N;143.21;2.02;;;;;DOPC;MDCG;27;1;"MARTINI bead: C5_Na";;;;;;;1.64;;-1.47;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM390287;MM390287;C=COC(=CF)CNC=N;OVUIWKAAKOXHME-UHFFFAOYSA-N;144.15;1.15;;;;;DOPC;MDCG;27;1;"MARTINI bead: C4_P3";;;;;;;0.23;;-4.3;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM390288;MM390288;CNC(C(=N)N)C(C)=CF;BMOUWILNBDQJFZ-UHFFFAOYSA-N;145.18;0.38;;;;;DOPC;MDCG;27;1;"MARTINI bead: P3_Nda";;;;;;;-1.1;;-7.23;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM390289;MM390289;C=COC(CNC=N)=NN;HDVBLEJINRYNGX-UHFFFAOYSA-N;142.16;-0.38;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nda_P3";;;;;;;-1.1;;-6.84;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM390290;MM390290;CC=C(F)C(OC)C(N)=O;LSNZEWFXGRRIHG-UHFFFAOYSA-N;147.15;0.36;;;;;DOPC;MDCG;27;0;"MARTINI bead: P3_C4";;;;;;;0.23;;-1.03;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM390291;MM390291;C=CC(CC=O)CC(C)O;UXXOBWNUCAAPKA-UHFFFAOYSA-N;142.2;1.15;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_C5";;;;;;;0.81;;-0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM390292;MM390292;CC=C(C)N(CC)C(=N)N;RNTFCMBTBOEXQS-UHFFFAOYSA-N;141.22;1.13;;;;;DOPC;MDCG;27;1;"MARTINI bead: P3_C3";;;;;;;0.6;;-5;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM390293;MM390293;C=NOC(CNC=N)=NN;ILGKWWQXHBXOJK-UHFFFAOYSA-N;143.15;-0.91;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nda_P3";;;;;;;-1.1;;-6.8;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM390294;MM390294;C=COC(=CC)CON=C;RNPBXLZBJVWEOG-UHFFFAOYSA-N;141.17;1.68;;;;;DOPC;MDCG;27;0;"MARTINI bead: C3_P1";;;;;;;1.74;;0.29;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM390295;MM390295;CCN(C(=N)N)C(C)=CF;SBGAHOSZOWJHNR-UHFFFAOYSA-N;145.18;1.03;;;;;DOPC;MDCG;27;1;"MARTINI bead: C5_P2";;;;;;;0.54;;-4.94;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM390296;MM390296;CNN=C(C=C(F)F)NN;TVKFXTRRMRBXKL-UHFFFAOYSA-N;150.13;-0.24;;;;;DOPC;MDCG;27;0;"MARTINI bead: P3_C4";;;;;;;0.23;;-1.03;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM390297;MM390297;CC=C(C)N(CC)C(N)=O;ZKBAXABVBSDYOT-UHFFFAOYSA-N;142.2;1.31;;;;;DOPC;MDCG;27;0;"MARTINI bead: C3_P3";;;;;;;0.6;;-0.8;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM390298;MM390298;CCC1(C)CC(C(C)O)C1;BZOCWQSEUNDYPC-UHFFFAOYSA-N;142.24;2.19;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC1_SNda";;;;;;;2.91;;0.57;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM390299;MM390299;C=C(C)N(CC)C(C)=NN;SKOJZYKQFWRWNJ-UHFFFAOYSA-N;141.22;1.13;;;;;DOPC;MDCG;27;1;"MARTINI bead: C5_Nd";;;;;;;1.64;;-1.38;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM390300;MM390300;CC=CC#CC(O)C(=O)O;ZLUWGVREDDNGKT-UHFFFAOYSA-N;140.14;0.01;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4_P2";;;;;;;1.09;;-4.32;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM390301;MM390301;C=C(CC=O)CC1CN1C;YERJKIYKPDUYDK-UHFFFAOYSA-N;139.2;0.84;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP1_Na";;;;;;;0.04;;-2.54;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM390302;MM390302;CC(O)C1CC(C)(CF)C1;NVRRTBBXPZWPHD-UHFFFAOYSA-N;146.21;1.75;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNda_SC4";;;;;;;2.2;;0.49;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM390303;MM390303;CC=C(C)N(NC)C(C)=O;HBTRZDMKBLWHCH-UHFFFAOYSA-N;142.2;0.89;;;;;DOPC;MDCG;27;0;"MARTINI bead: P3_C2";;;;;;;0.86;;-0.3;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM390304;MM390304;C=CC#CC(OC)C(=O)O;VROMVDSUYZCVEA-UHFFFAOYSA-N;140.14;0.28;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_P1";;;;;;;0.81;;-4.48;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM390305;MM390305;CC=C(C)N(NC)C(=N)N;GXXMEQZNNYEPJW-UHFFFAOYSA-N;142.21;0.24;;;;;DOPC;MDCG;27;1;"MARTINI bead: P3_C5";;;;;;;-0.33;;-6.12;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM390306;MM390306;N#CCNC(CC#N)=NO;ZDJBODQRQIGNGF-UHFFFAOYSA-N;138.13;-0.2;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_P1";;;;;;;-1.06;;-3.82;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM390307;MM390307;CN=C(C)N(NC)C(=N)N;DSKXLRMVVKPUAX-UHFFFAOYSA-N;143.19;-0.64;;;;;DOPC;MDCG;27;1;"MARTINI bead: P4_N0";;;;;;;-0.88;;-6.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM390308;MM390308;C=CCC(=NC)NNC=N;LYKCWBTWOWNYQL-UHFFFAOYSA-N;140.19;0.29;;;;;DOPC;MDCG;27;1;"MARTINI bead: C5_P4";;;;;;;-0.41;;-5.1;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM390309;MM390309;CNN(C(=N)N)C(C)=NN;OPGCUHLUZBTFSI-UHFFFAOYSA-N;144.18;-1.39;;;;;DOPC;MDCG;27;1;"MARTINI bead: P4_Nd";;;;;;;-1.19;;-7.81;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM390310;MM390310;C=CCC(=NC)NNC=O;ACHSWUDMHHOFNX-UHFFFAOYSA-N;141.17;-0.16;;;;;DOPC;MDCG;27;1;"MARTINI bead: C5_P4";;;;;;;-0.41;;-4.37;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM390311;MM390311;C=C1CC(=C)C(O)CC1=C;NLGIUJDWZWPOLF-UHFFFAOYSA-N;136.19;1.81;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC5_SC3";;;;;;;3.34;;0.48;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM390312;MM390312;C=CCC(=NO)NNC=N;ZDQQPQSYZASKGZ-UHFFFAOYSA-N;142.16;0.05;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nda_P4";;;;;;;-1.19;;-6.99;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM390313;MM390313;CC#CCC(C)(CC)CO;ATBDEGSCYVIYKK-UHFFFAOYSA-N;140.23;1.81;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_C4";;;;;;;2.97;;0.45;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM390314;MM390314;C=CCC(=NO)NNC=O;PDHJGFXEZHLURP-UHFFFAOYSA-N;143.15;-0.4;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda_P4";;;;;;;-1.19;;-4.91;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM390315;MM390315;CNN(C(N)=O)C(C)=NO;VATGKCNIYPZVLG-UHFFFAOYSA-N;146.15;-0.69;;;;;DOPC;MDCG;27;0;"MARTINI bead: P4_P1";;;;;;;-2.01;;-5.13;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM390316;MM390316;CN=C(N=CN)NCC=O;BCXYIHLWKXBUCO-UHFFFAOYSA-N;142.16;-1.25;;;;;DOPC;MDCG;27;1;"MARTINI bead: P3_Na";;;;;;;-1.1;;-8.23;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM390317;MM390317;CON(C(=N)N)C(C)=CF;VNEWCXJUOUGWQA-UHFFFAOYSA-N;147.15;0.57;;;;;DOPC;MDCG;27;1;"MARTINI bead: P3_C4";;;;;;;0.23;;-2.95;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM390318;MM390318;C=CCNC(=NC)NC=O;VLGUEPADXYUFAL-UHFFFAOYSA-N;141.17;-0.51;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_P2";;;;;;;-0.24;;-4.84;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM390319;MM390319;CC=C(C)N(OC)C(N)=O;CYBIRWQMEGPXHV-UHFFFAOYSA-N;144.17;0.85;;;;;DOPC;MDCG;27;0;"MARTINI bead: P3_C2";;;;;;;0.86;;-0.3;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM390320;MM390320;CN=C(NC=O)NCC=O;YJXKEUTUOKMTEW-UHFFFAOYSA-N;143.15;-1.49;;;;;DOPC;MDCG;27;1;"MARTINI bead: P3_Na";;;;;;;-1.1;;-5.3;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM390321;MM390321;CON(C(N)=O)C(C)=CF;PGVDIKDLSQKPKN-UHFFFAOYSA-N;148.14;0.76;;;;;DOPC;MDCG;27;0;"MARTINI bead: P3_C4";;;;;;;0.23;;-1.03;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM390322;MM390322;CC1(C)CC1CC1(O)CC1;CRBDPVFSLLPMPD-UHFFFAOYSA-N;140.23;1.95;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC4_SNda";;;;;;;2.2;;0.49;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM390323;MM390323;CN=C(C)N(OC)C(=N)N;OTCAWLKJOCHBKU-UHFFFAOYSA-N;144.18;-0.21;;;;;DOPC;MDCG;27;1;"MARTINI bead: P3_N0";;;;;;;-0.8;;-5.04;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM390324;MM390324;C=CNC(=NN)NNC=N;NQVBRLLGWJPZGY-UHFFFAOYSA-N;142.17;-1.35;;;;;DOPC;MDCG;27;1;"MARTINI bead: P2_P4";;;;;;;-2.29;;-8.34;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM390325;MM390325;C=CC(C(=C)C)C(C)=CF;WQOBHYPEKUVCJL-UHFFFAOYSA-N;140.2;3.24;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4_C1";;;;;;;4.24;;0.42;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM390326;MM390326;N=CNNC(=NN)NC=N;LSHQJSLNDOJRRH-UHFFFAOYSA-N;143.15;-1.89;;;;;DOPC;MDCG;27;1;"MARTINI bead: P4_P2";;;;;;;-2.29;;-8.2;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM390327;MM390327;C=CC(C(C)=O)C(C)=CF;UXTNBGCNYDBIMN-UHFFFAOYSA-N;142.17;2.25;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_C4";;;;;;;2.2;;0.34;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM390328;MM390328;CCCNN=C(C)CC#N;MHQFAQDHCPWORY-UHFFFAOYSA-N;139.2;1.28;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nd_N0";;;;;;;1.17;;-1.04;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM390329;MM390329;C=CC(C(=N)N)C(C)=CC;FVDIEUPERLZAPC-UHFFFAOYSA-N;138.21;1.69;;;;;DOPC;MDCG;27;1;"MARTINI bead: C1_P3";;;;;;;0.94;;-3.85;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM390330;MM390330;C=CNC(=NO)NNC=N;OFRNJAACOISVPM-UHFFFAOYSA-N;143.15;-0.83;;;;;DOPC;MDCG;27;1;"MARTINI bead: P2_P4";;;;;;;-2.29;;-7.97;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM390331;MM390331;C=CC(C(=N)N)C(C)=CF;WISNZBZHEMWRKZ-UHFFFAOYSA-N;142.18;1.6;;;;;DOPC;MDCG;27;1;"MARTINI bead: C1_P3";;;;;;;0.94;;-3.81;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM390332;MM390332;CC=C(C)C(C=O)C(=N)N;CIUHRQOHMLLYIR-UHFFFAOYSA-N;140.19;0.7;;;;;DOPC;MDCG;27;1;"MARTINI bead: C4_P3";;;;;;;0.23;;-4.5;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM390333;MM390333;N=CNC(=NO)NNC=O;WFKIBRCFLUELCS-UHFFFAOYSA-N;145.12;-1.82;;;;;DOPC;MDCG;27;1;"MARTINI bead: P4_P4";;;;;;;-3.24;;-8.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM390334;MM390334;CC(=CF)C(C=O)C(=N)N;DWOWGXWLXAWYLU-UHFFFAOYSA-N;144.15;0.61;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nda_P2";;;;;;;-0.24;;-6.77;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM390335;MM390335;N=CNNC(=NO)NC=O;KRKKLQAAJGGDBU-UHFFFAOYSA-N;145.12;-1.82;;;;;DOPC;MDCG;27;1;"MARTINI bead: P4_P4";;;;;;;-3.24;;-9.51;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM390336;MM390336;C#CC1=CCC(C)(O)C1=C;LVVCMZCQIOFEOR-UHFFFAOYSA-N;134.18;1.26;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNda_SC5";;;;;;;1.64;;0.05;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM390337;MM390337;O=CNNC(=NO)NC=O;ZNPHODJOXQJWHO-UHFFFAOYSA-N;146.11;-2.27;;;;;DOPC;MDCG;27;0;"MARTINI bead: P4_P4";;;;;;;-3.24;;-7.51;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM390338;MM390338;CC=C(C)C(C=O)C(N)=O;NXRMYOBESULOAF-UHFFFAOYSA-N;141.17;0.25;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4_P3";;;;;;;0.23;;-1.03;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM390339;MM390339;C=CN(C=N)C(=O)C(C)=O;UWVLKQRNVPIUIY-UHFFFAOYSA-N;140.14;0.15;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_P2";;;;;;;-0.24;;-3.24;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM390340;MM390340;CC(=CF)C(C#N)C(N)=O;WERVPTSIXODZOW-UHFFFAOYSA-N;142.13;0.48;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_P1";;;;;;;0.04;;-2.54;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM390341;MM390341;O=CNC(=NO)NOC=O;MAMFIYRUPQRJTO-UHFFFAOYSA-N;147.09;-1.84;;;;;DOPC;MDCG;27;0;"MARTINI bead: P4_P2";;;;;;;-2.29;;-5.95;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM390342;MM390342;C=C(C)C(C=O)C(F)=CF;LQLXMFDFRBWJPK-UHFFFAOYSA-N;146.14;2.16;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4_Na";;;;;;;2.2;;0.34;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM390343;MM390343;N=CNNC(=NO)OC=O;MYJJUZOOOMNYBC-UHFFFAOYSA-N;146.11;-1.39;;;;;DOPC;MDCG;27;1;"MARTINI bead: P4_P1";;;;;;;-2.01;;-6.96;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM390344;MM390344;C=CC(C(=N)N)C(F)=CF;MPKREIHEAPGLBJ-UHFFFAOYSA-N;146.14;1.5;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1_C5";;;;;;;0.81;;-4.15;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM390345;MM390345;C=NOC(=NN)NNC=N;ZBLXJVUJAWXUFY-UHFFFAOYSA-N;144.14;-1.45;;;;;DOPC;MDCG;27;1;"MARTINI bead: P4_P1";;;;;;;-2.01;;-7;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM390346;MM390346;CC=C(F)C(C#N)C(=N)N;BEOAQFGZLHPHCU-UHFFFAOYSA-N;141.15;0.94;;;;;DOPC;MDCG;27;1;"MARTINI bead: C4_P2";;;;;;;1.09;;-1.72;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM390347;MM390347;NN=CCOC(=O)C(F)F;IBRFIEDXKYRHMA-UHFFFAOYSA-N;152.1;-0.26;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_N0";;;;;;;0.34;;-1.53;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM390348;MM390348;N#CC(C(=N)N)C(F)=CF;KWULYJQDUTYFCL-UHFFFAOYSA-N;145.11;0.84;;;;;DOPC;MDCG;27;1;"MARTINI bead: P2_C5";;;;;;;0.54;;-2.42;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM390349;MM390349;C=NOC(=NO)NNC=O;MMCFTYYIXANQJV-UHFFFAOYSA-N;146.11;-1.39;;;;;DOPC;MDCG;27;0;"MARTINI bead: P4_Nda";;;;;;;-1.19;;-4.91;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM390350;MM390350;CC=C(F)C(C#N)C(N)=O;XVMZHRFPBRGVQR-UHFFFAOYSA-N;142.13;0.48;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4_P3";;;;;;;0.23;;-1.03;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM390351;MM390351;CCON(C=NN)C=NN;AISZXYTVVCDMQA-UHFFFAOYSA-N;145.17;-0.96;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_P3";;;;;;;-0.33;;-2.01;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM390352;MM390352;C=C(F)C(C=O)C(F)=CC;HTBCFYJDETVDEV-UHFFFAOYSA-N;146.14;2.16;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_C5";;;;;;;2.41;;0.64;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM390353;MM390353;O=CONC(=NO)OC=O;FLTUTIQBOVVHFH-UHFFFAOYSA-N;148.07;-1.42;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_P1";;;;;;;-1.06;;-3.82;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM390354;MM390354;CC=C(C)N(C=N)C(C)=N;PXOFJWNJHYRBCJ-UHFFFAOYSA-N;139.2;1.82;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_Nd";;;;;;;0.87;;-4.1;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM390355;MM390355;C=NOC(=NO)NOC=O;POWHDGMRAIUREB-UHFFFAOYSA-N;147.09;-0.96;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda_P2";;;;;;;-0.24;;-3.31;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM390356;MM390356;CC=C(C)N(C=O)C(C)=N;RTVGRUNVKJFYBP-UHFFFAOYSA-N;140.19;1.37;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda_Nd";;;;;;;0.87;;-1.92;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM390357;MM390357;C=CCC(=CC)OCC=O;OOPMURYZBHUSLO-UHFFFAOYSA-N;140.18;1.68;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4_Na";;;;;;;2.2;;0.34;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM390358;MM390358;CC=C(C)N(C=N)C(C)=O;YKNMECSFWOILLE-UHFFFAOYSA-N;140.19;1.37;;;;;DOPC;MDCG;27;0;"MARTINI bead: C2_P3";;;;;;;0.86;;-0.3;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM390359;MM390359;O=CCOC(=CF)NC=O;SOOTZCCKFOKPBI-UHFFFAOYSA-N;147.11;-0.28;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda_P2";;;;;;;-0.24;;-3.31;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM390360;MM390360;C=CN(C(=N)N)C(C)=CC;SMEAHYMCWIEIPX-UHFFFAOYSA-N;139.2;1.25;;;;;DOPC;MDCG;27;1;"MARTINI bead: C2_P2";;;;;;;1.72;;-3.95;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM390361;MM390361;C=CCOC(=NN)NC=O;PRMITSXGUZTHHG-UHFFFAOYSA-N;143.15;-0.84;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda_P3";;;;;;;-1.1;;-3.97;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM390362;MM390362;CC(=CF)N(C=N)C(=N)N;CTIGYWJZBNKYPH-UHFFFAOYSA-N;144.15;0.62;;;;;DOPC;MDCG;27;1;"MARTINI bead: Na_P2";;;;;;;-0.24;;-5.77;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM390363;MM390363;C=CCOC(=NO)NC=C;VZNOXEZFIBCJSZ-UHFFFAOYSA-N;142.16;0.67;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_N0";;;;;;;0.34;;-1.53;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM390364;MM390364;CN=C(C)N(C=N)C(=N)N;PBIZKSYPCZFFFF-UHFFFAOYSA-N;141.18;-0.16;;;;;DOPC;MDCG;27;1;"MARTINI bead: N0_P4";;;;;;;-0.88;;-6.23;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM390365;MM390365;C#CC(=O)CNC(C)C#N;VCVUQVYUCCPXSO-UHFFFAOYSA-N;136.15;-0.31;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_Na";;;;;;;-0.24;;-3.24;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM390366;MM390366;CC(=NN)N(C=N)C(=N)N;IFBDJDAOVPSTSM-UHFFFAOYSA-N;142.17;-0.92;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_P4";;;;;;;-1.19;;-7;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM390367;MM390367;CCC1=CC(C)(CO)C=C1;BJPYYCBPPIFNHI-UHFFFAOYSA-N;138.21;1.89;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC3_SC5";;;;;;;3.34;;0.48;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM390368;MM390368;CC(=NO)N(C=N)C(=N)N;VOCVFZHSVKWIHJ-UHFFFAOYSA-N;143.15;-0.4;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1_P4";;;;;;;-2.01;;-6.74;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM390369;MM390369;C=CCOC(=NO)NC=O;LLEILGFZLPFZLD-UHFFFAOYSA-N;144.13;-0.32;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda_P3";;;;;;;-1.1;;-3.97;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM390370;MM390370;CCC1(C)ONC(=NN)O1;RHSNVOZCAZKEJD-UHFFFAOYSA-N;145.16;-0.11;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNa_SP2";;;;;;;-0.24;;-3.24;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM390371;MM390371;O=CCOC(=NO)NC=O;FCCKAEKOQCQYQJ-UHFFFAOYSA-N;146.1;-1.31;;;;;DOPC;MDCG;27;0;"MARTINI bead: P4_Na";;;;;;;-1.19;;-4.76;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM390372;MM390372;C=CC1(C)ONC(=NN)O1;DUMNJLMUAWRYNN-UHFFFAOYSA-N;143.15;-0.33;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP1_SP2";;;;;;;-1.06;;-3.82;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM390373;MM390373;CC1(CO)C=CC(CF)=C1;VCYBPKXOMNCCJQ-UHFFFAOYSA-N;142.17;1.45;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC5_SC5";;;;;;;2.41;;0.64;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM390374;MM390374;CN=C(C)N(C=O)C(N)=O;SZDLXFCFZIJMRW-UHFFFAOYSA-N;143.15;-0.43;;;;;DOPC;MDCG;27;0;"MARTINI bead: N0_P4";;;;;;;-0.88;;-3.74;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM390375;MM390375;C=CNC(=NN)ONC=O;JGMCAODKCAPAMF-UHFFFAOYSA-N;144.13;-1.37;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_P2";;;;;;;-1.06;;-3.82;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM390376;MM390376;CC(=NN)N(C=O)C(N)=O;YRKFTLFBJQSSHZ-UHFFFAOYSA-N;144.13;-1.18;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nd_P4";;;;;;;-1.19;;-4.91;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM390377;MM390377;C=CNC(=NO)ONC=O;CNTNIVISFKMHIS-UHFFFAOYSA-N;145.12;-0.86;;;;;DOPC;MDCG;27;0;"MARTINI bead: P4_N0";;;;;;;-0.88;;-3.74;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM390378;MM390378;C=NN(C(=N)N)C(C)=CC;LMKDEPZJJWWNPU-UHFFFAOYSA-N;140.19;0.72;;;;;DOPC;MDCG;27;1;"MARTINI bead: C4_P3";;;;;;;0.23;;-3.63;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM390379;MM390379;N=CNC(=NO)ONC=O;ROZSAYUOWSDYMJ-UHFFFAOYSA-N;146.11;-1.39;;;;;DOPC;MDCG;27;0;"MARTINI bead: P4_P2";;;;;;;-2.29;;-5.95;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM390380;MM390380;C=NN(C(C)=N)C(C)=NC;LIJYHYXDCDMHLM-UHFFFAOYSA-N;140.19;0.95;;;;;DOPC;MDCG;27;0;"MARTINI bead: N0_P1";;;;;;;0.34;;-1.53;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM390381;MM390381;O=CNOC(=NO)NC=O;ZURIZMGOMOKHTC-UHFFFAOYSA-N;147.09;-1.84;;;;;DOPC;MDCG;27;0;"MARTINI bead: P4_P2";;;;;;;-2.29;;-5.95;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM390382;MM390382;C=NN(C(=N)N)C(C)=NC;XUDFGUOPWYBTNC-UHFFFAOYSA-N;141.18;-0.15;;;;;DOPC;MDCG;27;1;"MARTINI bead: N0_P3";;;;;;;-0.8;;-4.51;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM390383;MM390383;C=NNC(=NN)ONC=O;YOPGUMFMLMZNGQ-UHFFFAOYSA-N;145.12;-1.9;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_P2";;;;;;;-1.06;;-3.82;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM390384;MM390384;C=CC1C=CC(C)(CO)C1;ACMFDOYCMXBCKM-UHFFFAOYSA-N;138.21;1.75;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNda_SC4";;;;;;;2.2;;0.49;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM390385;MM390385;C=CCOC(=NO)ON=C;CHEHESDIVGFKBO-UHFFFAOYSA-N;144.13;0.57;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda_Na";;;;;;;0.87;;-1.99;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM390386;MM390386;C=NN(C(N)=O)C(C)=NO;MPEKFMIHLWAVJW-UHFFFAOYSA-N;144.13;-0.21;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_P1";;;;;;;-0.79;;-3.13;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM390387;MM390387;C#CCCC(=CC)CC=O;RLFXWKMXTWJVCZ-UHFFFAOYSA-N;136.19;1.94;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4_N0";;;;;;;2.5;;0.44;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM390388;MM390388;C#CC(C(=C)C)C(C)=CF;RVBYFQICLRBTKR-UHFFFAOYSA-N;138.19;2.69;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4_C4";;;;;;;3.53;;0.53;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM390389;MM390389;C#CCCC(=CC)CC#N;XDYBBJXHICPHOB-UHFFFAOYSA-N;133.19;2.26;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_N0";;;;;;;1.94;;0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM390390;MM390390;C#CC(C(C)=O)C(C)=CC;QIFMRBAMULCGQA-UHFFFAOYSA-N;136.19;1.79;;;;;DOPC;MDCG;27;0;"MARTINI bead: C2_Na";;;;;;;2.83;;0.35;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM390391;MM390391;C#CCCC(=CF)CC=O;CIULEKQYWNTYIY-UHFFFAOYSA-N;140.16;1.84;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_N0";;;;;;;1.17;;-1.18;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM390392;MM390392;C#CC(C(=N)N)C(C)=CC;PGKALHVGLYOEAZ-UHFFFAOYSA-N;136.2;1.14;;;;;DOPC;MDCG;27;1;"MARTINI bead: C1_P3";;;;;;;0.94;;-2.94;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM390393;MM390393;C#CC(C(N)=O)C(C)=CF;KVPSMKFOPQQFEE-UHFFFAOYSA-N;141.15;0.59;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4_P3";;;;;;;0.23;;-1.03;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM390394;MM390394;C#CC(C(=C)F)C(C)=CF;LYTNTNIXCLKNNJ-UHFFFAOYSA-N;142.15;2.59;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4_C5";;;;;;;2.97;;0.45;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM390395;MM390395;C#CC(C(=C)C)C(F)=CC;HWSLHMRQZJUPMZ-UHFFFAOYSA-N;138.19;2.69;;;;;DOPC;MDCG;27;0;"MARTINI bead: C3_C4";;;;;;;3.9;;0.47;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM390396;MM390396;C#CC(C(C)=O)C(F)=CC;MIKYAGBTASVNTP-UHFFFAOYSA-N;140.16;1.7;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4_Na";;;;;;;2.2;;0.34;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM390397;MM390397;C#CC(C(=C)C)C(C)=NO;RLBYKRBGYMGSKC-UHFFFAOYSA-N;137.18;1.66;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4_P1";;;;;;;1.37;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM390398;MM390398;C#CCC1=CC(=CO)N=N1;GZTKNNWKYBNDQW-UHFFFAOYSA-N;134.14;1.76;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNda_SC5";;;;;;;1.64;;-3.91;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM390399;MM390399;C=CC1=CC(C)(CO)CC1;PYPWCJSTDKENOP-UHFFFAOYSA-N;138.21;1.89;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNda_SC3";;;;;;;2.57;;0.44;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM390400;MM390400;CC(C)C(=CF)C(C)CF;HWTRSJLPRIWBJL-UHFFFAOYSA-N;148.2;3.1;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1_Na";;;;;;;2.91;;0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM390401;MM390401;CC=C(C(C)N)C(C)CF;ACRIAWIINIBZSM-UHFFFAOYSA-N;145.22;1.89;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_C4";;;;;;;2.2;;-1.89;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM390402;MM390402;CC(N)C(=CF)C(C)CF;ZFHFTQKAGFZUPC-UHFFFAOYSA-N;149.18;1.79;;;;;DOPC;MDCG;27;1;"MARTINI bead: C5_Na";;;;;;;1.64;;-2.32;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM390403;MM390403;CC=C(C(C)O)C(C)CN;OKUNWHWTOBURIV-UHFFFAOYSA-N;143.23;0.91;;;;;DOPC;MDCG;27;1;"MARTINI bead: C5_Nd";;;;;;;1.64;;-2.37;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM390404;MM390404;CC=C(C(C)F)C(C)CN;UIBSYRDTOPKINO-UHFFFAOYSA-N;145.22;1.89;;;;;DOPC;MDCG;27;1;"MARTINI bead: C3_Nd";;;;;;;2.57;;-1.49;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM390405;MM390405;CC=C(C(F)F)C(C)CN;PSVBNURZPSGYBA-UHFFFAOYSA-N;149.18;1.79;;;;;DOPC;MDCG;27;1;"MARTINI bead: C5_N0";;;;;;;1.94;;-1.53;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM390406;MM390406;CC=C(C(C)C)C(N)CN;RPTJSEQGCRYDFG-UHFFFAOYSA-N;142.25;0.87;;;;;DOPC;MDCG;27;1;"MARTINI bead: C4_P2";;;;;;;1.09;;-2.48;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM390407;MM390407;CC=C(C(C)C)C(N)CF;LZCAJHSPJLWADQ-UHFFFAOYSA-N;145.22;1.89;;;;;DOPC;MDCG;27;1;"MARTINI bead: C4_Na";;;;;;;2.2;;-0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM390408;MM390408;CC(C)C(=CF)C(N)CF;AKIDNFWXSAOJAC-UHFFFAOYSA-N;149.18;1.79;;;;;DOPC;MDCG;27;1;"MARTINI bead: C5_Na";;;;;;;1.64;;-1.1;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM390409;MM390409;CC=C(C(C)N)C(N)CC;CMFYHBBQXBCXML-UHFFFAOYSA-N;142.25;1.02;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_Nd";;;;;;;0.87;;-4.57;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM390410;MM390410;CC=C(C(C)O)C(N)CO;GWARLVIORWNZSO-UHFFFAOYSA-N;145.2;-0.37;;;;;DOPC;MDCG;27;1;"MARTINI bead: C5_P3";;;;;;;-0.33;;-3.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM390411;MM390411;CC(F)C(=CF)C(N)CN;QFYSOPSTPWIHHV-UHFFFAOYSA-N;150.17;0.48;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nda_P2";;;;;;;-0.24;;-5.39;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM390412;MM390412;CC=C(C(C)C)C(O)CN;FGFOWTYDMNYJJT-UHFFFAOYSA-N;143.23;0.91;;;;;DOPC;MDCG;27;1;"MARTINI bead: C1_P3";;;;;;;0.94;;-1.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM390413;MM390413;CC=C(C(C)O)C(O)CO;MIIPTPNUFIUDFZ-UHFFFAOYSA-N;146.19;-0.33;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_P3";;;;;;;-0.33;;-2.01;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM390414;MM390414;CC=C(C(C)F)C(O)CO;VMLGTPDZIORAIU-UHFFFAOYSA-N;148.18;0.64;;;;;DOPC;MDCG;27;0;"MARTINI bead: C3_P3";;;;;;;0.6;;-0.8;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM390415;MM390415;CC(F)C(=CF)C(O)CN;ZMMNLYJXZIRWIX-UHFFFAOYSA-N;151.16;0.52;;;;;DOPC;MDCG;27;1;"MARTINI bead: C5_P3";;;;;;;-0.33;;-4.11;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM390416;MM390416;CC=C(C(F)F)C(O)CO;YROIXHLEQOOZBC-UHFFFAOYSA-N;152.14;0.55;;;;;DOPC;MDCG;27;0;"MARTINI bead: P3_C4";;;;;;;0.23;;-1.03;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM390417;MM390417;CC(C)C(=CF)C(F)CN;ZITZRXGBCVUMHV-UHFFFAOYSA-N;149.18;1.79;;;;;DOPC;MDCG;27;1;"MARTINI bead: C3_P2";;;;;;;1.46;;-1.47;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM390418;MM390418;CCC(F)C(=CF)C(C)N;ZZBLYFZOXILBOH-UHFFFAOYSA-N;149.18;1.94;;;;;DOPC;MDCG;27;1;"MARTINI bead: C5_Nda";;;;;;;1.64;;-2.19;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM390419;MM390419;CC=C(C(C)F)C(F)CN;YIRPGSHUFSFKRA-UHFFFAOYSA-N;149.18;1.59;;;;;DOPC;MDCG;27;1;"MARTINI bead: C3_P2";;;;;;;1.46;;-1.47;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM390420;MM390420;CC=C(C(C)C)C(C)NC;KLEIGIQFIVEHTI-UHFFFAOYSA-N;141.26;2.2;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_C1";;;;;;;2.91;;-0.32;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM390421;MM390421;CC=C(C(C)N)C(C)NC;CKDWXVNIKQYDEQ-UHFFFAOYSA-N;142.25;0.89;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_Nd";;;;;;;0.87;;-4.57;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM390422;MM390422;CC=C(C(C)O)C(C)NC;MYLRUWCTOCFYSE-UHFFFAOYSA-N;143.23;0.92;;;;;DOPC;MDCG;27;1;"MARTINI bead: C5_P1";;;;;;;0.81;;-2.5;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM390423;MM390423;CC=C(C(C)F)C(C)NC;IEZPSOXFFNNHAT-UHFFFAOYSA-N;145.22;1.9;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_C3";;;;;;;2.57;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM390424;MM390424;CNC(C)C(=CF)C(C)F;SCPOSFOHKJOCBP-UHFFFAOYSA-N;149.18;1.81;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nda_Na";;;;;;;0.87;;-3.74;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM390425;MM390425;CNC(C)C(=CF)C(F)F;QFKCDSHWAWOPOD-UHFFFAOYSA-N;153.15;1.71;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nda_N0";;;;;;;1.17;;-2.49;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM390426;MM390426;CCC(N)C(=NO)C(C)C;UPIQYYMUIMZHIH-UHFFFAOYSA-N;144.22;1.21;;;;;DOPC;MDCG;27;1;"MARTINI bead: C5_P1";;;;;;;0.81;;-3.38;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM390427;MM390427;NN=C(C(F)F)C(O)CF;HUIARJALRZEATD-UHFFFAOYSA-N;156.11;-0.1;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_N0";;;;;;;0.06;;-2.21;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM390428;MM390428;N#CC(COC(N)=O)=NO;GFAXCGHRBHDWOO-UHFFFAOYSA-N;143.1;-0.56;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_P2";;;;;;;-1.34;;-8.31;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM390429;MM390429;Cn1nc(F)c(O)c1F;FTZLFBKRQPYSRY-UHFFFAOYSA-N;134.09;0.4;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNa_SNda";;;;;;;0.87;;-6.03;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM390430;MM390430;CC1(CO)C=C(C=O)CC1;PHEYUVZUJBDFGM-UHFFFAOYSA-N;140.18;0.9;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNda_SNa";;;;;;;0.87;;-1.99;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM390431;MM390431;ON=c1[nH]nco1;PCVIPFOGVBCXBL-UHFFFAOYSA-N;101.07;-0.71;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP3_SP2";;;;;;;-2.2;;-9.03;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM390432;MM390432;COC(=NN)NOC(C)=O;XYRYSOVAMHBMEK-UHFFFAOYSA-N;147.13;-1.07;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_Na";;;;;;;-0.24;;-3.24;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM390433;MM390433;CN=C(C(C)CO)N(C)N;XPAVRKUDOJDRFV-UHFFFAOYSA-N;145.21;-0.55;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nda_P2";;;;;;;-0.24;;-5.7;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM390434;MM390434;CN(C)C(=NO)C(O)CF;JSOMRLIPBOTCPU-UHFFFAOYSA-N;150.15;-0.33;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_Na";;;;;;;-0.24;;-3.24;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM390435;MM390435;C#CC1(CC)NC1C(C)=O;ZVGNEADWOKRBRT-UHFFFAOYSA-N;137.18;0.33;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNd_Na";;;;;;;0.87;;-1.88;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM390436;MM390436;C=CC(O)C(C)CC=CC;DYRYSXSTPTVNJY-UHFFFAOYSA-N;140.23;2.14;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1_Nda";;;;;;;2.91;;0.57;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM390437;MM390437;CC=CC=C(C)C(O)CC;MAMRSZGMGZRJHC-UHFFFAOYSA-N;140.23;2.28;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda_C1";;;;;;;2.91;;0.57;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM390438;MM390438;C=CCC(CO)C(C)C=C;UTRIJQWJDPDFMU-UHFFFAOYSA-N;140.23;1.99;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_C4";;;;;;;2.97;;0.45;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM390439;MM390439;CCOC(=NN)N(C)OC;DMCJLUCDPZTWAT-UHFFFAOYSA-N;147.18;-0.25;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_P2";;;;;;;0.54;;-1.09;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM390440;MM390440;CCC(O)C(=NO)N(C)O;VOMJODKVSPRKCX-UHFFFAOYSA-N;148.16;-0.13;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda_P2";;;;;;;-0.24;;-3.31;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM390441;MM390441;CCOC(=NN)NOC=O;AASMHXCCKZCALC-UHFFFAOYSA-N;147.13;-1.07;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda_P2";;;;;;;-0.24;;-3.31;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM390442;MM390442;C#CCOC(=NN)NOC;YUTUAWGLYXVADQ-UHFFFAOYSA-N;143.15;-0.98;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_Nda";;;;;;;-0.24;;-3.31;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM390443;MM390443;CC=NOC(=NN)NCC;JNVZTOABJYXZQY-UHFFFAOYSA-N;144.18;-0.15;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_P1";;;;;;;0.81;;-0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM390444;MM390444;COC(C)C(=NO)N(C)O;UUQXGEIAHVRGQK-UHFFFAOYSA-N;148.16;0.13;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_P2";;;;;;;-0.24;;-3.24;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM390445;MM390445;C=NOC(=NN)NC=CC;UJXWPJDPFLKOTK-UHFFFAOYSA-N;142.16;-0.03;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4_P2";;;;;;;1.09;;-0.38;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM390446;MM390446;C=CNC(=NN)ON=CC;MDBXYHGVWUPATI-UHFFFAOYSA-N;142.16;-0.03;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_N0";;;;;;;0.34;;-1.53;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM390447;MM390447;CCN(O)C(=NO)C(C)C;DLKATCWFYJQIQP-UHFFFAOYSA-N;146.19;1.14;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_C5";;;;;;;0.54;;-1.09;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM390448;MM390448;CON(C)C(=NO)C(C)C;SVIOSFLKGCIKKG-UHFFFAOYSA-N;146.19;0.92;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_C5";;;;;;;0.81;;-0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM390449;MM390449;CN=C(C(C)F)N(C)OC;SZRZASNPCSPZFJ-UHFFFAOYSA-N;148.18;0.87;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_C5";;;;;;;0.81;;-0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM390450;MM390450;CCN(C)C(=NC)N(C)N;DSWNDRFXIODDFJ-UHFFFAOYSA-N;144.22;-0.27;;;;;DOPC;MDCG;27;1;"MARTINI bead: C5_P1";;;;;;;0.81;;-5.19;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM390451;MM390451;CCN(C)C(=NC)N(C)O;DVVXARDPSBRHNB-UHFFFAOYSA-N;145.21;0.24;;;;;DOPC;MDCG;27;1;"MARTINI bead: C5_P1";;;;;;;0.81;;-3.72;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM390452;MM390452;CCN(N)C(=NC)N(C)C;BRIMBRPKXJRPFQ-UHFFFAOYSA-N;144.22;-0.27;;;;;DOPC;MDCG;27;1;"MARTINI bead: C5_P1";;;;;;;0.81;;-5.2;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM390453;MM390453;CCN(N)C(=NN)N(C)N;RRFCJBUFQKKCAB-UHFFFAOYSA-N;146.2;-1.78;;;;;DOPC;MDCG;27;1;"MARTINI bead: C5_P4";;;;;;;-0.41;;-5.21;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM390454;MM390454;CN=C(N(C)C)N(C)NC;SIJNYIZZARDHBD-UHFFFAOYSA-N;144.22;-0.4;;;;;DOPC;MDCG;27;1;"MARTINI bead: P2_Nd";;;;;;;-0.24;;-7.79;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM390455;MM390455;CNN(C)C(=NN)N(C)N;FCJROUWDSDKJSH-UHFFFAOYSA-N;146.2;-1.91;;;;;DOPC;MDCG;27;1;"MARTINI bead: P2_P2";;;;;;;-1.34;;-6.92;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM390456;MM390456;CNN(C)C(=NN)N(C)O;HEMLZZNTWBDJJY-UHFFFAOYSA-N;147.18;-1.4;;;;;DOPC;MDCG;27;1;"MARTINI bead: P2_P2";;;;;;;-1.34;;-5.34;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM390457;MM390457;CNN=CN(C=CF)NC;WNTVKMDAQHIWPA-UHFFFAOYSA-N;146.17;0.03;;;;;DOPC;MDCG;27;0;"MARTINI bead: P3_C5";;;;;;;-0.33;;-2.01;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM390458;MM390458;C=CC(C)C(=CF)C(C)O;YSXSKTAKZOTBFZ-UHFFFAOYSA-N;144.19;2.04;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda_C3";;;;;;;2.57;;0.44;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM390459;MM390459;CC=C(C(C)F)C(C)C=O;QPNQGZXBLLAXLF-UHFFFAOYSA-N;144.19;2.13;;;;;DOPC;MDCG;27;0;"MARTINI bead: C3_Na";;;;;;;2.57;;0.45;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM390460;MM390460;CC(F)C(=CF)C(C)C=O;QGWHMUHZXFHSSR-UHFFFAOYSA-N;148.15;2.03;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_Na";;;;;;;1.64;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM390461;MM390461;C=CC(N)C(=CF)C(C)C;BLQXGCOKHXASHH-UHFFFAOYSA-N;143.21;2.01;;;;;DOPC;MDCG;27;1;"MARTINI bead: C3_Nda";;;;;;;2.57;;-0.77;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM390462;MM390462;C=CC(N)C(=CC)C(C)N;VJUCMQQPNGTIMR-UHFFFAOYSA-N;140.23;0.79;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1_N0";;;;;;;0.34;;-3.77;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM390463;MM390463;C=CC(N)C(=CF)C(C)O;STKTVYRWSMDCIT-UHFFFAOYSA-N;145.18;0.73;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nda_P1";;;;;;;0.04;;-4.21;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM390464;MM390464;CC=C(C(C)O)C(O)C#N;PSKWYWBOQNXPIM-UHFFFAOYSA-N;141.17;0.2;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_Nda";;;;;;;0.04;;-2.73;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM390465;MM390465;CC(O)C(=CF)C(F)C=O;YLUGVILLAYDSSO-UHFFFAOYSA-N;150.12;0.76;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_Na";;;;;;;0.04;;-2.54;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM390466;MM390466;CC(C)C(=NO)C(C)C=O;PBCJDAKEVIXTLN-UHFFFAOYSA-N;143.19;1.31;;;;;DOPC;MDCG;27;0;"MARTINI bead: C3_P3";;;;;;;0.6;;-0.8;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM390467;MM390467;CNN=CN(C=N)C=CF;SYSLRBFTPOXOIE-UHFFFAOYSA-N;144.15;0.5;;;;;DOPC;MDCG;27;0;"MARTINI bead: P3_C5";;;;;;;-0.33;;-2.01;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM390468;MM390468;NN=CC(=O)OCC(=O)O;SAIJJPGLNWJWQI-UHFFFAOYSA-N;146.1;-1.44;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_P1";;;;;;;-0.79;;-7.16;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM390469;MM390469;Oc1n[nH]c(O)n1;UDATXMIGEVPXTR-UHFFFAOYSA-N;101.07;-0.78;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP2_SP2";;;;;;;-1.34;;-8.31;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM390470;MM390470;C=CC(O)C(=NN)C(F)F;RUQCIDILKOTIOR-UHFFFAOYSA-N;150.13;0.11;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_N0";;;;;;;0.34;;-1.53;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM390471;MM390471;O=CNN=COCC(=O)O;JGYDDRJJBKVKJW-UHFFFAOYSA-N;146.1;-1.22;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_P3";;;;;;;-1.93;;-8.54;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM390472;MM390472;NC(=CC(=O)O)C(F)(F)F;WJAFQSJKHIPRDX-UHFFFAOYSA-N;155.08;0.48;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_P1";;;;;;;0.81;;-4.5;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM390473;MM390473;CNC(NC)=C(F)C(=O)O;ZQQNNVSBWRXFGJ-UHFFFAOYSA-N;148.14;-0.35;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda_P1";;;;;;;0.04;;-6.74;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM390474;MM390474;C#CCOC(C#N)=NNC;LLSSSSCELZXIEX-UHFFFAOYSA-N;137.14;-0.31;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_N0";;;;;;;0.06;;-2.21;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM390475;MM390475;C=CC(O)C(=NO)N(C)C;QWNLEGFFIRMZEP-UHFFFAOYSA-N;144.17;-0.12;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_Nda";;;;;;;-0.24;;-3.31;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM390476;MM390476;C=CC(O)C(=NO)N(C)N;SLHANDWXQVDXEF-UHFFFAOYSA-N;145.16;-0.87;;;;;DOPC;MDCG;27;0;"MARTINI bead: P3_Nda";;;;;;;-1.1;;-3.97;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM390477;MM390477;Cn1c(=O)oc(=NN)n1C;XFWRSUIKSYBLSX-UHFFFAOYSA-N;144.13;-1.91;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP3_SP3";;;;;;;-3.07;;-6.15;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM390478;MM390478;Cn1c(=NN)oc(=N)n1N;MIFJWWOGIFXHSP-UHFFFAOYSA-N;144.14;-2.61;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP3_SP3";;;;;;;-3.07;;-6.15;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM390479;MM390479;CC(C)C(=CF)N(C)C=N;JDSMGUDIWWPXJG-UHFFFAOYSA-N;144.19;1.99;;;;;DOPC;MDCG;27;1;"MARTINI bead: C3_P3";;;;;;;0.6;;-2.75;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM390480;MM390480;CC(O)C(=CF)N(C)C=N;KUYCVGMBRWCNBQ-UHFFFAOYSA-N;146.17;0.72;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1_Nda";;;;;;;0.04;;-4.27;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM390481;MM390481;CC=C(C(C)C)N(N)C=N;IQNKORSVFTUAEM-UHFFFAOYSA-N;141.22;1.33;;;;;DOPC;MDCG;27;1;"MARTINI bead: C1_P4";;;;;;;0.85;;-2.93;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM390482;MM390482;CC=C(C(C)C)N(O)C=N;NNNAIDGUEJZFKT-UHFFFAOYSA-N;142.2;1.84;;;;;DOPC;MDCG;27;1;"MARTINI bead: C1_P4";;;;;;;0.85;;-1.63;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM390483;MM390483;CN=C(C(C)C)N(C)C=O;HXUOQPKXWMDSBJ-UHFFFAOYSA-N;142.2;0.76;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_P2";;;;;;;0.54;;-1.09;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM390484;MM390484;Cn1c(=NN)oc(=O)n1N;JAIGRZBUQJEBRP-UHFFFAOYSA-N;145.12;-2.73;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP3_SP3";;;;;;;-3.07;;-6.15;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM390485;MM390485;CN=C(C(C)O)N(C)C=N;YAUYESBRPVAECB-UHFFFAOYSA-N;143.19;-0.07;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nda_P2";;;;;;;-0.24;;-4.59;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM390486;MM390486;CC(O)C(=NO)N(C)C=O;PWXXHUKEXUFULF-UHFFFAOYSA-N;146.15;-0.76;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_P2";;;;;;;-1.34;;-4.31;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM390487;MM390487;Cc1oc(=NN)n(N)c1C;SCZBJHCJEGUXHP-UHFFFAOYSA-N;142.16;-0.81;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP2_SN0";;;;;;;0.06;;-2.21;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM390488;MM390488;C=CN(N)C(=NO)C(C)O;PLYJEMHFIOFXHS-UHFFFAOYSA-N;145.16;-0.53;;;;;DOPC;MDCG;27;0;"MARTINI bead: P3_N0";;;;;;;-0.8;;-2.99;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM390489;MM390489;CC(O)C(=NO)N(N)C=N;IBBVMVHJZDFGIZ-UHFFFAOYSA-N;146.15;-1.06;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_P3";;;;;;;-1.93;;-4.72;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM390490;MM390490;Cc1c(N)oc(=NN)n1N;KNNGWIPPIZEHSD-UHFFFAOYSA-N;143.15;-1.54;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP1_SP1";;;;;;;-0.79;;-3.13;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM390491;MM390491;Cc1c(F)oc(=NN)n1N;DSHAAJNZRYMXPP-UHFFFAOYSA-N;146.13;-0.98;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNa_SP2";;;;;;;-0.24;;-3.24;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM390492;MM390492;Cc1oc(=NN)n(N)c1N;YCDLLZZOHGKSIQ-UHFFFAOYSA-N;143.15;-1.54;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNd_SP2";;;;;;;-0.24;;-3.16;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM390493;MM390493;OC=C1C=NC(CO)=N1;YGOQDEBQRDKOKC-UHFFFAOYSA-N;126.12;-0.14;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP2_SNda";;;;;;;-0.24;;-7.3;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM390494;MM390494;C=CN(O)C(=NN)C(F)F;LUBDFYNYRVIQKR-UHFFFAOYSA-N;151.12;0.36;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda_N0";;;;;;;1.17;;-1.13;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM390495;MM390495;CCc1cc(O)on1;KGMAWWYCDGFEAL-UHFFFAOYSA-N;113.12;0.94;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC5_SNda";;;;;;;1.64;;-3.91;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM390496;MM390496;CN=C(N(C)N)N(C)C=O;ZRYVYXMLKJTABV-UHFFFAOYSA-N;144.18;-1.13;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1_P2";;;;;;;-1.06;;-5.16;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM390497;MM390497;C=CN(C)C(=NN)N(C)N;KIRIEYDEKHKGRY-UHFFFAOYSA-N;143.19;-0.9;;;;;DOPC;MDCG;27;1;"MARTINI bead: P2_Nd";;;;;;;-0.24;;-6.23;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM390498;MM390498;CN(N)C(=NN)N(C)C=N;GWCIDICALOLDHC-UHFFFAOYSA-N;144.18;-1.44;;;;;DOPC;MDCG;27;1;"MARTINI bead: P2_P2";;;;;;;-1.34;;-6.49;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM390499;MM390499;CN(N)C(=NO)N(C)C=N;KTTQLRZMCKMLPM-UHFFFAOYSA-N;145.17;-0.92;;;;;DOPC;MDCG;27;1;"MARTINI bead: P2_P2";;;;;;;-1.34;;-5.34;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM390500;MM390500;NN=c1oc(F)c(N)n1N;GQSRNNZHUFGELM-UHFFFAOYSA-N;147.11;-1.71;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP2_SNda";;;;;;;-0.24;;-3.31;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM390501;MM390501;C=CN(C)C(=NC)N(C)O;MISOLNKKELIXLR-UHFFFAOYSA-N;143.19;0.37;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1_N0";;;;;;;0.34;;-4.51;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM390502;MM390502;C=CN(C)C(=NN)N(C)O;QSLMQUHRQJBEMP-UHFFFAOYSA-N;144.18;-0.39;;;;;DOPC;MDCG;27;1;"MARTINI bead: P2_Nd";;;;;;;-0.24;;-4.66;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM390503;MM390503;CN(O)C(=NN)N(C)C=N;CPYNUSKTGKEBAT-UHFFFAOYSA-N;145.17;-0.92;;;;;DOPC;MDCG;27;1;"MARTINI bead: P2_P2";;;;;;;-1.34;;-5.59;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM390504;MM390504;Cc1oc(=NN)n(N)c1F;MUQRPYSHEBPQND-UHFFFAOYSA-N;146.13;-0.98;;;;;DOPC;MDCG;27;0;"MARTINI bead: SN0_SP1";;;;;;;0.34;;-1.53;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM390505;MM390505;NN=c1oc(F)c(F)n1N;PEBJFIDGXNESHY-UHFFFAOYSA-N;150.09;-1.15;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNa_SP1";;;;;;;0.04;;-2.54;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM390506;MM390506;CN(O)C(=NO)N(C)C=O;MICCYCOGHQPMKQ-UHFFFAOYSA-N;147.13;-0.86;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_P2";;;;;;;-1.34;;-4.31;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM390507;MM390507;CN(C)C(=NN)N(N)C=N;OMIRCZXACOHQTQ-UHFFFAOYSA-N;144.18;-1.44;;;;;DOPC;MDCG;27;1;"MARTINI bead: P2_P2";;;;;;;-1.34;;-6.64;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM390508;MM390508;CNc1nc(=O)onc1N;PJKHZJYFOIXDAI-UHFFFAOYSA-N;142.12;-0.95;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP2_SP3";;;;;;;-2.2;;-5.19;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM390509;MM390509;CN=C(N(C)N)N(N)C=N;YHHJRUXULQUWEC-UHFFFAOYSA-N;144.18;-1.44;;;;;DOPC;MDCG;27;1;"MARTINI bead: P2_P2";;;;;;;-1.34;;-7.23;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM390510;MM390510;CN=C(N(C)N)N(N)C=O;SSQQPVMRXFUMIY-UHFFFAOYSA-N;145.17;-1.89;;;;;DOPC;MDCG;27;1;"MARTINI bead: P2_P2";;;;;;;-1.34;;-5.34;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM390511;MM390511;C=CN(N)C(=NN)N(C)N;PMBSRAZHQOWHHC-UHFFFAOYSA-N;144.18;-1.66;;;;;DOPC;MDCG;27;1;"MARTINI bead: P4_N0";;;;;;;-0.88;;-6.21;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM390512;MM390512;CN=C(N(C)O)N(N)C=N;ONTFRZMPDOYCHQ-UHFFFAOYSA-N;145.17;-0.92;;;;;DOPC;MDCG;27;1;"MARTINI bead: P2_P2";;;;;;;-1.34;;-5.74;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM390513;MM390513;CN(O)C(=NO)N(N)C=O;NPVIMKGHBCKFLK-UHFFFAOYSA-N;148.12;-1.62;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_P2";;;;;;;-1.34;;-4.31;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM390514;MM390514;C=CN(O)C(=NC)N(C)C;HDVWEBYXCJNRAD-UHFFFAOYSA-N;143.19;0.37;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1_N0";;;;;;;0.34;;-4.83;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM390515;MM390515;CN=C(N(C)N)N(O)C=N;GOZUOMVLKVOEPX-UHFFFAOYSA-N;145.17;-0.92;;;;;DOPC;MDCG;27;1;"MARTINI bead: P2_P2";;;;;;;-1.34;;-5.68;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM390516;MM390516;Cn1ncc(=O)oc1=NN;HXGKCMUETFLPQA-UHFFFAOYSA-N;142.12;-1.85;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP3_SP2";;;;;;;-2.2;;-5.19;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM390517;MM390517;C#CC(N)C(=CC)C(C)C;TYMCRIRGTANTAJ-UHFFFAOYSA-N;137.23;1.55;;;;;DOPC;MDCG;27;1;"MARTINI bead: C1_P2";;;;;;;1.8;;-0.22;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM390518;MM390518;C#CC(N)C(=CF)C(C)C;QTEKKPYCCGKYAC-UHFFFAOYSA-N;141.19;1.46;;;;;DOPC;MDCG;27;1;"MARTINI bead: C3_P2";;;;;;;1.46;;-1.22;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM390519;MM390519;C#CC(O)C(=CC)C(C)C;ZHMWAZXZDDECNY-UHFFFAOYSA-N;138.21;1.58;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1_P2";;;;;;;1.8;;0.4;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM390520;MM390520;C#CC(O)C(=NN)C(C)O;DXMOKYYTYJADCA-UHFFFAOYSA-N;142.16;-1.32;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_P2";;;;;;;-1.06;;-3.82;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM390521;MM390521;COC(C=NO)C(=O)O;IOUCJPVVOSIEKL-UHFFFAOYSA-N;133.1;-0.45;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_P1";;;;;;;-0.79;;-7.16;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM390522;MM390522;Cn1nnc(=N)oc1=NN;ZUDCOEWSDUUJTK-UHFFFAOYSA-N;142.12;-2.34;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP3_SP2";;;;;;;-2.2;;-5.19;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM390523;MM390523;Cn1nnc(=O)oc1=NN;CIKYDHVWAABDKH-UHFFFAOYSA-N;143.11;-2.46;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP3_SP2";;;;;;;-2.2;;-5.19;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM390524;MM390524;COC(=NN)N(C=N)OC;IYINEUICWJZKKM-UHFFFAOYSA-N;146.15;-0.67;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_P1";;;;;;;-1.06;;-3.82;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM390525;MM390525;CC(CN)C(=CF)C(=N)N;GHDTWTZCFIPXGW-UHFFFAOYSA-N;145.18;0.37;;;;;DOPC;MDCG;27;1;"MARTINI bead: P2_Nda";;;;;;;-0.24;;-6.44;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM390526;MM390526;CC=C(C(N)=O)C(C)CN;NQFBSPRKLGJJBX-UHFFFAOYSA-N;142.2;0.01;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nda_P2";;;;;;;-0.24;;-5.86;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM390527;MM390527;C=NN(C=N)C(=NN)OC;KGMOOYRGIOTIFT-UHFFFAOYSA-N;143.15;-0.61;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_P2";;;;;;;-1.06;;-3.82;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM390528;MM390528;C=C(F)C(=CC)C(C)CN;MOFVKDFTRQRLDG-UHFFFAOYSA-N;143.21;2.01;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_C1";;;;;;;2.91;;-0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM390529;MM390529;C=C(C)C(=CC)C(N)CO;FEFGDFPSXFKBFU-UHFFFAOYSA-N;141.21;0.83;;;;;DOPC;MDCG;27;1;"MARTINI bead: P3_C1";;;;;;;0.94;;-1.62;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM390530;MM390530;C=C(C)C(=CF)C(N)CO;SNWSCKBWEZZZKK-UHFFFAOYSA-N;145.18;0.74;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1_Na";;;;;;;0.04;;-4.29;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM390531;MM390531;C=C(C)C(=CF)C(N)CF;PXWQWNUETHONKN-UHFFFAOYSA-N;147.17;1.71;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nda_Na";;;;;;;0.87;;-3.08;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM390532;MM390532;CC=C(C(=N)N)C(N)CC;VFPHYTWFIAEXRM-UHFFFAOYSA-N;141.22;0.61;;;;;DOPC;MDCG;27;1;"MARTINI bead: C4_P3";;;;;;;0.23;;-5.26;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM390533;MM390533;CCC(N)C(=CF)C(=N)N;VSYJQIWWAMNKMU-UHFFFAOYSA-N;145.18;0.51;;;;;DOPC;MDCG;27;1;"MARTINI bead: C5_P3";;;;;;;-0.33;;-4.85;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM390534;MM390534;C=C(C)C(=CC)C(O)CN;MBVGSXJJWXPQQS-UHFFFAOYSA-N;141.21;0.83;;;;;DOPC;MDCG;27;1;"MARTINI bead: P3_C1";;;;;;;0.94;;-1.89;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM390535;MM390535;CC=C(C(C)=O)C(O)CO;WGQQOABNKZATGV-UHFFFAOYSA-N;144.17;-0.13;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_P3";;;;;;;-0.33;;-2.01;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM390536;MM390536;CC=C(C(C)=O)C(O)CF;WWEVCALXEXXBEH-UHFFFAOYSA-N;146.16;0.85;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_C5";;;;;;;0.54;;-1.09;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM390537;MM390537;CC=C(C(=N)N)C(O)CC;LBYRIGPPVFXZNR-UHFFFAOYSA-N;142.2;0.64;;;;;DOPC;MDCG;27;1;"MARTINI bead: C4_P3";;;;;;;0.23;;-5.15;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM390538;MM390538;CCC(O)C(=CN)C(=N)N;DDOVRMGZPPWVPT-UHFFFAOYSA-N;143.19;-0.46;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nda_P3";;;;;;;-1.1;;-7.76;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM390539;MM390539;N=C(N)C(=CN)C(O)CN;KUWVMFGUTCUIIN-UHFFFAOYSA-N;144.18;-1.92;;;;;DOPC;MDCG;27;1;"MARTINI bead: P3_P3";;;;;;;-3.07;;-9.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM390540;MM390540;N=C(N)C(=CN)C(O)CO;VZURPDMFIQEIFY-UHFFFAOYSA-N;145.16;-1.88;;;;;DOPC;MDCG;27;1;"MARTINI bead: P3_P3";;;;;;;-3.07;;-9.89;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM390541;MM390541;CCC(O)C(=CN)C(N)=O;VGRUAUITPOGCBS-UHFFFAOYSA-N;144.17;-0.91;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda_P3";;;;;;;-1.1;;-3.97;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM390542;MM390542;C=C(F)C(=CF)C(O)CO;GMIGXWHBOIPOPK-UHFFFAOYSA-N;150.12;0.68;;;;;DOPC;MDCG;27;0;"MARTINI bead: P3_C4";;;;;;;0.23;;-1.03;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM390543;MM390543;CCC(F)C(=CN)C(=N)N;BMFVMBBGSDOKDS-UHFFFAOYSA-N;145.18;0.51;;;;;DOPC;MDCG;27;1;"MARTINI bead: C4_P3";;;;;;;0.23;;-4.91;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM390544;MM390544;Nn1nncc1O;QFYMHFDJUAVPLJ-UHFFFAOYSA-N;100.08;-1.3;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP2_SP2";;;;;;;-1.34;;-8.31;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM390545;MM390545;C=C(C)C(=CC)C(C)NC;HMTLNVPLYNZVDE-UHFFFAOYSA-N;139.24;2.12;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_C1";;;;;;;2.91;;-0.23;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM390546;MM390546;C=C(C)C(=CF)C(C)NC;HYKLQOCKNIRMIV-UHFFFAOYSA-N;143.21;2.02;;;;;DOPC;MDCG;27;1;"MARTINI bead: P2_C1";;;;;;;1.8;;-0.88;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM390547;MM390547;CNC(C)C(=CN)C(C)=O;CRSQGINNXNOUAF-UHFFFAOYSA-N;142.2;0.03;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_P2";;;;;;;-0.24;;-4.59;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM390548;MM390548;CNC(C)C(=CF)C(N)=O;LBCMLAICNBJJFA-UHFFFAOYSA-N;146.17;-0.07;;;;;DOPC;MDCG;27;1;"MARTINI bead: P2_Nda";;;;;;;-0.24;;-4.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM390549;MM390549;C=C(F)C(=CC)C(C)NC;FAWXKOYQWPGDEU-UHFFFAOYSA-N;143.21;2.02;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_C1";;;;;;;2.91;;0.12;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM390550;MM390550;C=C(F)C(=CF)C(C)NC;JVNYWUBTEJBSMO-UHFFFAOYSA-N;147.17;1.93;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nda_C5";;;;;;;1.64;;-1.45;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM390551;MM390551;COC(C)C(=CN)C(=N)N;MVXMQQUNWASQMH-UHFFFAOYSA-N;143.19;-0.2;;;;;DOPC;MDCG;27;1;"MARTINI bead: Na_P3";;;;;;;-1.1;;-8;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM390552;MM390552;COC(C)C(=CF)C(N)=O;VOTGXXHEELHVLH-UHFFFAOYSA-N;147.15;0.36;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_P1";;;;;;;0.04;;-2.54;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM390553;MM390553;N#CC(=CN)N(C=N)C=O;ZMGRDTUTHTVDGH-UHFFFAOYSA-N;138.13;-0.62;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_P2";;;;;;;-1.34;;-4.31;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM390554;MM390554;C=C(C)C(=NO)C(C)CN;GWJXLCYOQHJVNJ-UHFFFAOYSA-N;142.2;0.99;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_Nda";;;;;;;0.87;;-4.09;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM390555;MM390555;C#Cc1nnn(N=C)c1O;YAFVLXHHIIUQOM-UHFFFAOYSA-N;136.11;-0.57;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP1_SP2";;;;;;;-1.06;;-7.81;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM390556;MM390556;NN=C(C(N)=O)C(O)CO;CNTYLGRVDZBJJV-UHFFFAOYSA-N;147.13;-2.86;;;;;DOPC;MDCG;27;0;"MARTINI bead: P3_P3";;;;;;;-3.07;;-6.15;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM390557;MM390557;CC1C=C(CN)C(C)C1F;OKRSMCWZMDFJOA-UHFFFAOYSA-N;143.21;1.5;;;;;DOPC;MDCG;27;1;"MARTINI bead: SC4_SC5";;;;;;;2.97;;0.37;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM390558;MM390558;CNC=C(C)C(=O)O;FOGHFLHNVLOXEE-UHFFFAOYSA-N;115.13;0.19;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_Nda";;;;;;;-0.24;;-7.3;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM390559;MM390559;CCC1=CC(N)C(C)C1N;RHFCWMUXNDNLGU-UHFFFAOYSA-N;140.23;0.63;;;;;DOPC;MDCG;27;1;"MARTINI bead: SC5_SNd";;;;;;;1.64;;-2.38;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM390560;MM390560;Cn1c(O)nn(C=O)c1=O;VUUDDCDZYIVUAD-UHFFFAOYSA-N;143.1;-1.67;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP2_SP3";;;;;;;-2.2;;-9.04;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM390561;MM390561;C=CC1=CC(C)C(C)C1C;IOPWONPOYPXUIS-UHFFFAOYSA-N;136.24;3.02;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC2_SC4";;;;;;;4.16;;0.44;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM390562;MM390562;CNC(=NN)ON=CNN;OFFIBUDEOOGBDJ-UHFFFAOYSA-N;146.15;-2.14;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda_P3";;;;;;;-1.1;;-3.97;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM390563;MM390563;CC1C=C(C#N)C(C)C1C;OWCGHWWXIXAQPC-UHFFFAOYSA-N;135.21;2.36;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC5_SC4";;;;;;;2.97;;0.45;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM390564;MM390564;CCN(C)C(=NN)C(=N)N;LMMRUKZLASZWIC-UHFFFAOYSA-N;143.19;-0.85;;;;;DOPC;MDCG;27;1;"MARTINI bead: C5_P3";;;;;;;-0.33;;-4.92;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM390565;MM390565;C=CC1=CC(N)C(C)C1C;LKDDBWSXSIBYRL-UHFFFAOYSA-N;137.23;1.71;;;;;DOPC;MDCG;27;1;"MARTINI bead: SNd_SC2";;;;;;;2.83;;-0.45;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM390566;MM390566;CCC=NN=C(C=O)NC;IPWYAMROACWUNZ-UHFFFAOYSA-N;141.17;0.2;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4_P2";;;;;;;1.09;;-0.38;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM390567;MM390567;C=CC1=CC(C)C(N)C1C;JSTWZHXCFZTFMX-UHFFFAOYSA-N;137.23;1.71;;;;;DOPC;MDCG;27;1;"MARTINI bead: SC2_SNd";;;;;;;2.83;;-0.97;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM390568;MM390568;CCN(N)C(=NC)C(=N)N;SYWSOPYKTDQTRJ-UHFFFAOYSA-N;143.19;-0.85;;;;;DOPC;MDCG;27;1;"MARTINI bead: C5_P3";;;;;;;-0.33;;-4.85;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM390569;MM390569;CC1C=C(C=O)C(C)C1O;GFXDPNUBLYOVKY-UHFFFAOYSA-N;140.18;0.76;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC5_SNda";;;;;;;1.64;;0.05;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM390570;MM390570;CN=C(C#N)NN=CCF;OMJOMAWCQWKCAV-UHFFFAOYSA-N;142.14;0.08;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_C5";;;;;;;0.54;;-1.09;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM390571;MM390571;CC1C=C(C#N)C(C)C1O;UFLJECXTJVZWEO-UHFFFAOYSA-N;137.18;1.08;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC5_SNda";;;;;;;1.64;;0.05;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM390572;MM390572;C=CC(C=O)C=NN=CC;VBHRLMOXSVTCOP-UHFFFAOYSA-N;138.17;1.06;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_Na";;;;;;;1.64;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM390573;MM390573;CC1C(C#N)=CC(O)C1O;YOMLIFNIVXIHML-UHFFFAOYSA-N;139.15;-0.19;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP2_SC5";;;;;;;0.54;;-1.09;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM390574;MM390574;CCNN=CC(=NN)NN;HCVWZYNJHOSHGX-UHFFFAOYSA-N;144.18;-1.68;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nd_P4";;;;;;;-1.19;;-4.91;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM390575;MM390575;C=CC1=CC(C)C(F)C1C;FLNMRWHACUOWIW-UHFFFAOYSA-N;140.2;2.72;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC2_SC5";;;;;;;3.6;;0.34;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM390576;MM390576;C=CCC#CC(C#N)NC;STTPEZVIVKWIOE-UHFFFAOYSA-N;134.18;0.68;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_C5";;;;;;;0.54;;-1.09;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM390577;MM390577;CC1C=C(C=O)C(C)C1F;IWPMBUBEIVKJIW-UHFFFAOYSA-N;142.17;1.74;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC5_SC5";;;;;;;2.41;;0.64;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM390578;MM390578;C#CCNN=C(C=C)OC;DNNNEPJIAJWQOV-UHFFFAOYSA-N;138.17;0.36;;;;;DOPC;MDCG;27;0;"MARTINI bead: N0_P1";;;;;;;0.34;;-1.53;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM390579;MM390579;CC1C=C(C#N)C(C)C1F;RRFPPSJYPFPSLZ-UHFFFAOYSA-N;139.17;2.06;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC5_SC5";;;;;;;2.41;;0.64;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM390580;MM390580;CCN(NC)C(=O)COC;JOBFGPCXGRMBCS-UHFFFAOYSA-N;146.19;-0.38;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_P3";;;;;;;-0.33;;-2.01;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM390581;MM390581;C=CC1=CC(C)C(C)C1N;FRSFXCBAYLIOFF-UHFFFAOYSA-N;137.23;1.71;;;;;DOPC;MDCG;27;1;"MARTINI bead: SNd_SC4";;;;;;;2.2;;-1.92;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM390582;MM390582;C=NNC(=N)C(C=O)CC;YBLXEXIGDCVYEA-UHFFFAOYSA-N;141.17;0.39;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_P2";;;;;;;0.54;;-1.09;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM390583;MM390583;C=CC1=CC(C)C(N)C1N;VHLXGFDKOFCDFZ-UHFFFAOYSA-N;138.21;0.4;;;;;DOPC;MDCG;27;1;"MARTINI bead: SNd_SNd";;;;;;;0.87;;-4.45;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM390584;MM390584;C=C(C)C(=CC)C(C)C=O;VUZQHXIHQKCBRD-UHFFFAOYSA-N;138.21;2.34;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1_Na";;;;;;;2.91;;0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM390585;MM390585;C=CC1=CC(O)C(N)C1N;QRBNWWNSJPQTQD-UHFFFAOYSA-N;140.19;-0.87;;;;;DOPC;MDCG;27;1;"MARTINI bead: SP2_SNd";;;;;;;-0.24;;-4.94;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM390586;MM390586;C=C(C)C(=CF)C(C)C=O;RNERCINKSVNXCG-UHFFFAOYSA-N;142.17;2.25;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_C4";;;;;;;2.2;;0.34;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM390587;MM390587;C#CC1=CC(C)C(C)C1C;PUCPFPWYDQZAFI-UHFFFAOYSA-N;134.22;2.47;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC4_SC4";;;;;;;3.53;;0.53;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM390588;MM390588;C=CC(C)C(=CN)C(C)=O;FDWSUWDMSBADQA-UHFFFAOYSA-N;139.2;1.24;;;;;DOPC;MDCG;27;0;"MARTINI bead: C3_P2";;;;;;;1.46;;-0.15;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM390589;MM390589;C#CC1=CC(N)C(C)C1C;GSNCFHMDBBIDHL-UHFFFAOYSA-N;135.21;1.16;;;;;DOPC;MDCG;27;1;"MARTINI bead: SNd_SC4";;;;;;;2.2;;-1.89;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM390590;MM390590;C=CC(C)C(=CC)C(=N)N;KISLMLVDHLTDOS-UHFFFAOYSA-N;138.21;1.69;;;;;DOPC;MDCG;27;1;"MARTINI bead: C1_P3";;;;;;;0.94;;-4.01;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM390591;MM390591;C#CC1=CC(C)C(N)C1C;WHEAZHKJFGIFKU-UHFFFAOYSA-N;135.21;1.16;;;;;DOPC;MDCG;27;1;"MARTINI bead: SC4_SNd";;;;;;;2.2;;-2.44;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM390592;MM390592;CC=C(C(=N)N)C(C)C#N;ICCOBOYTRJRSIS-UHFFFAOYSA-N;137.19;1.03;;;;;DOPC;MDCG;27;1;"MARTINI bead: C4_P3";;;;;;;0.23;;-5.26;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM390593;MM390593;C#CC1=CC(N)C(N)C1C;DLDQICDXXREAFY-UHFFFAOYSA-N;136.2;-0.15;;;;;DOPC;MDCG;27;1;"MARTINI bead: SP2_SC4";;;;;;;1.09;;-2.64;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM390594;MM390594;C=CC(C)C(=CN)C(=N)N;RCAZCKIMGRKNRC-UHFFFAOYSA-N;139.2;0.59;;;;;DOPC;MDCG;27;1;"MARTINI bead: C5_P3";;;;;;;-0.33;;-6.07;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM390595;MM390595;C=CC(C)C(=CF)C(=N)N;UOYRRMMEHPXHIA-UHFFFAOYSA-N;142.18;1.6;;;;;DOPC;MDCG;27;1;"MARTINI bead: C1_P3";;;;;;;0.94;;-2.79;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM390596;MM390596;C#CC1=CC(O)C(N)C1C;QARSRUKMCYDHIR-UHFFFAOYSA-N;137.18;-0.12;;;;;DOPC;MDCG;27;1;"MARTINI bead: SP2_SC4";;;;;;;1.09;;-2.73;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM390597;MM390597;CCON(C)C(=NN)OC;NBKQGUMKLLHEBC-UHFFFAOYSA-N;147.18;-0.25;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_P2";;;;;;;0.54;;-1.09;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM390598;MM390598;Cn1ccc(NN)nc1=O;KNEVTBDRQLAOSI-UHFFFAOYSA-N;140.15;-0.93;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP1_SNda";;;;;;;0.04;;-2.73;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM390599;MM390599;Cn1nc(NN)cnc1=O;RBCZXHRWSWXIDE-UHFFFAOYSA-N;141.13;-1.54;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP2_SP2";;;;;;;-1.34;;-4.31;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM390600;MM390600;C#CC1=CC(N)C(O)C1C;QHCHZSLZKANCCH-UHFFFAOYSA-N;137.18;-0.12;;;;;DOPC;MDCG;27;1;"MARTINI bead: SP2_SC4";;;;;;;1.09;;-2.17;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM390601;MM390601;CC(C=O)C(=CF)C(N)=O;YKKZSXVRVYDKMH-UHFFFAOYSA-N;145.13;0.16;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_Na";;;;;;;-0.24;;-3.24;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM390602;MM390602;C#CC1=CC(O)C(O)C1C;QMFPTLURMIJARS-UHFFFAOYSA-N;138.17;-0.08;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP2_SC4";;;;;;;1.09;;-0.38;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM390603;MM390603;CC=C(C(C)=O)C(O)C=O;UEZNLBPYZWYWBY-UHFFFAOYSA-N;142.15;0.08;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_P2";;;;;;;0.54;;-1.09;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM390604;MM390604;C#CC1=CC(C)C(F)C1C;YFECMTMFLLECSP-UHFFFAOYSA-N;138.19;2.17;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC4_SC5";;;;;;;2.97;;0.45;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM390605;MM390605;C=CC(O)C(=CN)C(C)=O;GOAWFGYPBJOMBQ-UHFFFAOYSA-N;141.17;-0.04;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_Nda";;;;;;;-0.24;;-3.31;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM390606;MM390606;C#CC1=CC(N)C(F)C1C;PAIHCHJMJSQXST-UHFFFAOYSA-N;139.17;0.86;;;;;DOPC;MDCG;27;1;"MARTINI bead: SNda_SC4";;;;;;;2.2;;-0.44;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM390607;MM390607;C=CC(O)C(=CF)C(=N)N;IAUUPNDPNVZXPZ-UHFFFAOYSA-N;144.15;0.32;;;;;DOPC;MDCG;27;1;"MARTINI bead: P2_Na";;;;;;;-0.24;;-5.84;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM390608;MM390608;C#CC1=CC(C)C(C)C1N;BGRLAKMBSZLADL-UHFFFAOYSA-N;135.21;1.16;;;;;DOPC;MDCG;27;1;"MARTINI bead: SNd_SC4";;;;;;;2.2;;-1.51;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM390609;MM390609;N#CC(O)C(=CF)C(N)=O;QCTUNPDCNNDAFE-UHFFFAOYSA-N;144.11;-0.79;;;;;DOPC;MDCG;27;0;"MARTINI bead: P4_Na";;;;;;;-1.19;;-4.76;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM390610;MM390610;C#CC1=CC(C)C(N)C1N;CTINHKLZACABMQ-UHFFFAOYSA-N;136.2;-0.15;;;;;DOPC;MDCG;27;1;"MARTINI bead: SNd_SNd";;;;;;;0.87;;-4.37;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM390611;MM390611;C#CC1(C)OC1C(=O)O;ZJCNJGOILUUVGI-UHFFFAOYSA-N;126.11;-0.14;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNa_P1";;;;;;;0.04;;-6.57;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM390612;MM390612;C#CC1=CC(O)C(N)C1N;IYGATPVLUWYXGI-UHFFFAOYSA-N;138.17;-1.42;;;;;DOPC;MDCG;27;1;"MARTINI bead: SP2_SNd";;;;;;;-0.24;;-4.82;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM390613;MM390613;C=CC(O)C(=CC)C(=C)F;COFILBGHRPZNFJ-UHFFFAOYSA-N;142.17;1.96;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda_C1";;;;;;;2.91;;0.57;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM390614;MM390614;C#CC1=CC(C)C(O)C1N;WDGDYCLGWZUWMN-UHFFFAOYSA-N;137.18;-0.12;;;;;DOPC;MDCG;27;1;"MARTINI bead: SNd_SNda";;;;;;;0.87;;-3.4;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM390615;MM390615;C=CC(C)C(=NO)C(N)=O;YMNJOOUTDHSAQO-UHFFFAOYSA-N;142.16;0.12;;;;;DOPC;MDCG;27;0;"MARTINI bead: N0_P2";;;;;;;0.06;;-2.21;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM390616;MM390616;C#CC1=CC(C)N(C)C1C;IEULMXRERCOESQ-UHFFFAOYSA-N;135.21;1.27;;;;;DOPC;MDCG;27;1;"MARTINI bead: SP1_SNd";;;;;;;0.04;;-4.36;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM390617;MM390617;CC(=O)C(O)C(F)C(=O)O;BQKIKXQHADGYCW-UHFFFAOYSA-N;150.11;-0.64;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_P2";;;;;;;-0.24;;-7.25;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM390618;MM390618;CCC1=CC(=N)N(C)C1C;FVFGHQZGBSTNCH-UHFFFAOYSA-N;138.21;1.63;;;;;DOPC;MDCG;27;1;"MARTINI bead: SN0_SNd";;;;;;;1.17;;-4.78;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM390619;MM390619;CNC(=O)ON=CC(=O)O;WOCQONVLTFKQOR-UHFFFAOYSA-N;146.1;-0.59;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_Nda";;;;;;;-0.24;;-7.31;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM390620;MM390620;CCc1cc(=N)n(C)n1C;RQBMBEDIABCCRC-UHFFFAOYSA-N;139.2;0.41;;;;;DOPC;MDCG;27;1;"MARTINI bead: SN0_SP2";;;;;;;0.06;;-6.45;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM390621;MM390621;N#CC(=NO)C(O)CC=O;SWJOXQBOBGXVEE-UHFFFAOYSA-N;142.11;-0.71;;;;;DOPC;MDCG;27;0;"MARTINI bead: P3_Na";;;;;;;-1.1;;-8.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM390622;MM390622;Cn1c(CN)cc(=N)n1C;IPSOLUKVYLEWDY-UHFFFAOYSA-N;140.19;-0.7;;;;;DOPC;MDCG;27;1;"MARTINI bead: SP2_SP2";;;;;;;-1.34;;-8.46;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM390623;MM390623;C=CC(O)C(=NN)C(=C)F;WEOPYSKEBALUMA-UHFFFAOYSA-N;144.15;0.33;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_C5";;;;;;;0.81;;-0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM390624;MM390624;Cn1c(CO)cc(=N)n1C;UAGVMHWYTSAKGK-UHFFFAOYSA-N;141.17;-0.66;;;;;DOPC;MDCG;27;1;"MARTINI bead: SP1_SP2";;;;;;;-1.06;;-7.86;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM390625;MM390625;N#Cc1n[nH]c(C#N)c1O;ZVQKJFWLIBFEFD-UHFFFAOYSA-N;134.1;-0.14;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNda_SNda";;;;;;;0.87;;-6.12;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM390626;MM390626;Cn1c(CF)cc(=N)n1C;HPINDGOYMNZXGC-UHFFFAOYSA-N;143.17;0.31;;;;;DOPC;MDCG;27;1;"MARTINI bead: SNa_SP2";;;;;;;-0.24;;-7.24;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM390627;MM390627;OCc1n[nH]c(O)n1;UPCXBOISTZRVFS-UHFFFAOYSA-N;115.09;-1;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP2_SP2";;;;;;;-1.34;;-8.32;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM390628;MM390628;CCc1cc(=O)n(C)n1C;NQPHXKBGLGABBC-UHFFFAOYSA-N;140.19;0.29;;;;;DOPC;MDCG;27;0;"MARTINI bead: SN0_SP2";;;;;;;0.06;;-2.21;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM390629;MM390629;Nc1nn[nH]c1O;NZACDECOAVIYAJ-UHFFFAOYSA-N;100.08;-0.91;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP2_SP2";;;;;;;-1.34;;-8.32;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM390630;MM390630;Cn1c(CN)cc(=O)n1C;IVEZAQQXVJNDPI-UHFFFAOYSA-N;141.17;-0.82;;;;;DOPC;MDCG;27;1;"MARTINI bead: SP2_SP2";;;;;;;-1.34;;-5.64;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM390631;MM390631;CCCc1cc(O)on1;NNOPQDQPJYCAFZ-UHFFFAOYSA-N;127.14;1.33;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC5_SNda";;;;;;;1.64;;-3.92;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM390632;MM390632;Cn1c(CO)cc(=O)n1C;DTYNEXQWFYDSLG-UHFFFAOYSA-N;142.16;-0.78;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP1_SP2";;;;;;;-1.06;;-3.82;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM390633;MM390633;C=C(C)C(=CC)N(C)C=O;BTILAWSSHCYVBB-UHFFFAOYSA-N;139.2;1.55;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1_P3";;;;;;;0.94;;0.03;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM390634;MM390634;Cn1c(CF)cc(=O)n1C;FCHOQYHLUWMLSO-UHFFFAOYSA-N;144.15;0.19;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNa_SP2";;;;;;;-0.24;;-3.24;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM390635;MM390635;C=C(C)C(=CF)N(C)C=N;QWPIISLDVYNZKN-UHFFFAOYSA-N;142.18;1.91;;;;;DOPC;MDCG;27;1;"MARTINI bead: P2_C5";;;;;;;0.54;;-3;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM390636;MM390636;CCc1cc(=N)n(N)n1C;BKRVXCNDCQZBNP-UHFFFAOYSA-N;140.19;-0.42;;;;;DOPC;MDCG;27;1;"MARTINI bead: SN0_SP3";;;;;;;-0.8;;-5.36;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM390637;MM390637;CN(C=O)C(=CN)C(=N)N;DNFRIOMWDJFVEL-UHFFFAOYSA-N;142.16;-1.19;;;;;DOPC;MDCG;27;1;"MARTINI bead: P2_P3";;;;;;;-2.2;;-9.09;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM390638;MM390638;Cn1c(CO)cc(=N)n1N;KYMOCMIEKLNRFC-UHFFFAOYSA-N;142.16;-1.49;;;;;DOPC;MDCG;27;1;"MARTINI bead: SP1_SP3";;;;;;;-1.93;;-6.84;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM390639;MM390639;C=CC1CC2CC2(O)C1=C;XEKUTBUAKCKVQM-UHFFFAOYSA-N;136.19;1.5;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNda_SC2";;;;;;;2.83;;0.57;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM390640;MM390640;Cn1c(CF)cc(=N)n1N;XXMHPCUAIGGALK-UHFFFAOYSA-N;144.15;-0.51;;;;;DOPC;MDCG;27;1;"MARTINI bead: SNa_SP3";;;;;;;-1.1;;-6.28;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM390641;MM390641;CN(C=N)C(=CN)C(N)=O;WBHNFDWBYMQKSP-UHFFFAOYSA-N;142.16;-1.19;;;;;DOPC;MDCG;27;1;"MARTINI bead: P2_P3";;;;;;;-2.2;;-6.34;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM390642;MM390642;C=CCC1ONC(=NN)O1;WDRCDDWJMICGPX-UHFFFAOYSA-N;143.15;-0.33;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP2_SP1";;;;;;;-1.06;;-3.82;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM390643;MM390643;CCc1cc(=O)n(N)n1C;CVEXIZBYJSCWGQ-UHFFFAOYSA-N;141.17;-0.54;;;;;DOPC;MDCG;27;0;"MARTINI bead: SN0_SP2";;;;;;;0.06;;-2.21;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM390644;MM390644;C=C(C)C(=CC)N(N)C=N;MMUHBLUIGPMHDK-UHFFFAOYSA-N;139.2;1.25;;;;;DOPC;MDCG;27;1;"MARTINI bead: P4_C1";;;;;;;0.85;;-2.7;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM390645;MM390645;CNc1nnc(=O)n(N)n1;LAROCKYMTZQRGK-UHFFFAOYSA-N;142.12;-2.21;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP2_SP4";;;;;;;-2.29;;-5.95;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM390646;MM390646;N=C(N)C(=CN)N(N)C=O;LSJXHGBNDZRVOK-UHFFFAOYSA-N;143.15;-1.95;;;;;DOPC;MDCG;27;1;"MARTINI bead: P4_P2";;;;;;;-2.29;;-9.2;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM390647;MM390647;Cn1c(CF)cc(=O)n1N;ZIDXCWPDJAYZQK-UHFFFAOYSA-N;145.14;-0.63;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNa_SP2";;;;;;;-0.24;;-3.24;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM390648;MM390648;C#CC1CN=C(CC#N)N1;XWKCWVVPFBZGRG-UHFFFAOYSA-N;133.15;-0.1;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP1_SP1";;;;;;;-0.79;;-3.13;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM390649;MM390649;CCc1cc(=N)n(O)n1C;JEOGAVYDXNOSEP-UHFFFAOYSA-N;141.17;0.11;;;;;DOPC;MDCG;27;1;"MARTINI bead: SN0_SP2";;;;;;;0.06;;-4.74;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM390650;MM390650;CCNc1c[nH]c(CF)c1;WUFIBHBWLJSBRM-UHFFFAOYSA-N;142.18;1.92;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC5_SNda";;;;;;;1.64;;0.05;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM390651;MM390651;Cn1c(CN)cc(=N)n1O;SICLBACYZGANLA-UHFFFAOYSA-N;142.16;-1;;;;;DOPC;MDCG;27;1;"MARTINI bead: SP2_SP2";;;;;;;-1.34;;-6.7;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM390652;MM390652;CC(=CCN1CC1)CC=O;YPZCREKVBNIDJT-UHFFFAOYSA-N;139.2;0.84;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_SP1";;;;;;;0.04;;-2.54;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM390653;MM390653;Cn1c(CO)cc(=N)n1O;HQEQAKMAPGOSJD-UHFFFAOYSA-N;143.15;-0.96;;;;;DOPC;MDCG;27;1;"MARTINI bead: SP1_SP2";;;;;;;-1.06;;-6.1;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM390654;MM390654;N=CN(O)C(=CN)C(=N)N;JJCPDEPJFPSVHT-UHFFFAOYSA-N;143.15;-0.98;;;;;DOPC;MDCG;27;1;"MARTINI bead: P5_P2";;;;;;;-2.22;;-9.23;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM390655;MM390655;Cn1c(CF)cc(=N)n1O;LOHZUCLSJQLPDR-UHFFFAOYSA-N;145.14;0.01;;;;;DOPC;MDCG;27;1;"MARTINI bead: SNa_SP2";;;;;;;-0.24;;-5.47;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM390656;MM390656;C=C(C)C(=NO)N(C)C=O;PSUNJLIYVIFGJE-UHFFFAOYSA-N;142.16;0.44;;;;;DOPC;MDCG;27;0;"MARTINI bead: P3_C4";;;;;;;0.23;;-1.03;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM390657;MM390657;CCc1cc(=N)n(C)n1N;RTPRFEQIESWZNO-UHFFFAOYSA-N;140.19;-0.42;;;;;DOPC;MDCG;27;1;"MARTINI bead: SN0_SP3";;;;;;;-0.8;;-6.66;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM390658;MM390658;CCc1cn(N)c(=NN)o1;PKBMKWPLNHTBRD-UHFFFAOYSA-N;142.16;-0.87;;;;;DOPC;MDCG;27;0;"MARTINI bead: SN0_SP2";;;;;;;0.06;;-2.21;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM390659;MM390659;Cn1c(=N)cc(CO)n1N;YGOVUJRNWWPPGX-UHFFFAOYSA-N;142.16;-1.49;;;;;DOPC;MDCG;27;1;"MARTINI bead: SP3_SP1";;;;;;;-1.93;;-8.2;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM390660;MM390660;C=CN(C)C(=NO)C(C)=O;LGSGNEVBNUAWDB-UHFFFAOYSA-N;142.16;0.44;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nd_P2";;;;;;;-0.24;;-3.16;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM390661;MM390661;Cn1c(=N)cc(CF)n1N;DHSYVASJOQTQHU-UHFFFAOYSA-N;144.15;-0.51;;;;;DOPC;MDCG;27;1;"MARTINI bead: SP3_SNa";;;;;;;-1.1;;-7.64;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM390662;MM390662;CN=C(C(=N)N)N(C)C=N;UGVNBUNEEBZAMH-UHFFFAOYSA-N;141.18;-0.51;;;;;DOPC;MDCG;27;1;"MARTINI bead: P2_P2";;;;;;;-1.34;;-7.01;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM390663;MM390663;CCc1cc(=O)n(C)n1N;NWDXVVLGLIWRJW-UHFFFAOYSA-N;141.17;-0.54;;;;;DOPC;MDCG;27;0;"MARTINI bead: SN0_SP3";;;;;;;-0.8;;-2.99;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM390664;MM390664;CN(C=N)C(=NN)C(=N)N;OKQZDHKQWODTMC-UHFFFAOYSA-N;142.17;-1.27;;;;;DOPC;MDCG;27;1;"MARTINI bead: P2_P3";;;;;;;-2.2;;-7.48;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM390665;MM390665;COC1=NNC(CC#N)C1;PAFJKSWUICXFPJ-UHFFFAOYSA-N;139.16;0.22;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP1_SNd";;;;;;;0.04;;-2.63;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM390666;MM390666;C=CN(C)C(=NO)C(=N)N;VBEFKTFMUUIUMP-UHFFFAOYSA-N;142.16;-0.21;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_P3";;;;;;;-1.1;;-5.57;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM390667;MM390667;Cn1c(=O)cc(CF)n1N;VPKSHNLWSRBTKZ-UHFFFAOYSA-N;145.14;-0.63;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP3_SNa";;;;;;;-1.1;;-4.2;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM390668;MM390668;CN(C=N)C(=NO)C(=N)N;CMMJSPLUVCFFOE-UHFFFAOYSA-N;143.15;-0.75;;;;;DOPC;MDCG;27;1;"MARTINI bead: P2_P3";;;;;;;-2.2;;-6.64;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM390669;MM390669;CCc1cc(=N)n(N)n1N;WMGSAXCVFGIYSB-UHFFFAOYSA-N;141.18;-1.24;;;;;DOPC;MDCG;27;1;"MARTINI bead: SN0_SP3";;;;;;;-0.8;;-5.05;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM390670;MM390670;CN=C(C(N)=O)N(C)C=O;KWOFFXYOIUJROK-UHFFFAOYSA-N;143.15;-1.41;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_P2";;;;;;;-1.34;;-4.31;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM390671;MM390671;N=c1cc(CO)n(N)n1N;KMCLGRFIDHBDTG-UHFFFAOYSA-N;143.15;-2.31;;;;;DOPC;MDCG;27;1;"MARTINI bead: SP1_SP3";;;;;;;-1.93;;-6.53;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM390672;MM390672;NN=c1oc(CF)cn1N;CLJYSGPPXQUKML-UHFFFAOYSA-N;146.13;-0.96;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP2_SNa";;;;;;;-0.24;;-3.24;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM390673;MM390673;N=c1cc(CF)n(N)n1N;SPKNZFMYOTVNAM-UHFFFAOYSA-N;145.14;-1.33;;;;;DOPC;MDCG;27;1;"MARTINI bead: SNa_SP3";;;;;;;-1.1;;-5.96;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM390674;MM390674;C=NOC(=O)NCC(=O)O;LFKOGSJHIZTHCA-UHFFFAOYSA-N;146.1;-0.59;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_P2";;;;;;;-1.06;;-7.82;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM390675;MM390675;CCc1cc(=O)n(N)n1N;OPLYBABPLRHHAN-UHFFFAOYSA-N;142.16;-1.36;;;;;DOPC;MDCG;27;0;"MARTINI bead: SN0_SP3";;;;;;;-0.8;;-2.99;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM390676;MM390676;CNc1cn(N)c(=NN)o1;XCYPBLHNBVCEBV-UHFFFAOYSA-N;143.15;-1.39;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNd_SP2";;;;;;;-0.24;;-3.16;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM390677;MM390677;N=c1c(=NN)n(N)on1N;ZODBVRHIWLLAOX-UHFFFAOYSA-N;145.13;-3.44;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP2_SP3";;;;;;;-2.2;;-5.19;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM390678;MM390678;C=C(C)C(=NO)N(N)C=O;MFDZAXHAUDKRND-UHFFFAOYSA-N;143.15;-0.32;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4_P4";;;;;;;0.15;;-2.18;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM390679;MM390679;Nn1c(CF)cc(=O)n1N;QOFMLTDYQPLQNR-UHFFFAOYSA-N;146.13;-1.45;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNa_SP3";;;;;;;-1.1;;-4.2;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM390680;MM390680;CN=C(C(=N)N)N(N)C=N;FWYQQZOCUDVTQK-UHFFFAOYSA-N;142.17;-1.27;;;;;DOPC;MDCG;27;1;"MARTINI bead: P3_P2";;;;;;;-2.2;;-7.45;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM390681;MM390681;CCc1cc(=N)n(O)n1N;DJMGPIJJJOVHRT-UHFFFAOYSA-N;142.16;-0.72;;;;;DOPC;MDCG;27;1;"MARTINI bead: SN0_SP2";;;;;;;0.06;;-4.42;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM390682;MM390682;C=CN(N)C(=NN)C(=N)N;QIESJBRRPUGDNV-UHFFFAOYSA-N;142.17;-1.49;;;;;DOPC;MDCG;27;1;"MARTINI bead: P4_N0";;;;;;;-0.88;;-5.76;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM390683;MM390683;N=c1cc(CO)n(N)n1O;MAQNFJVYPPGBRU-UHFFFAOYSA-N;144.13;-1.79;;;;;DOPC;MDCG;27;1;"MARTINI bead: SP1_SP2";;;;;;;-1.06;;-5.78;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM390684;MM390684;N=CN(N)C(=NN)C(=N)N;UDAMFRLXDDSUSX-UHFFFAOYSA-N;143.15;-2.02;;;;;DOPC;MDCG;27;1;"MARTINI bead: P4_P2";;;;;;;-2.29;;-7.79;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM390685;MM390685;N=c1cc(CF)n(N)n1O;BHLFUCPRYLXQLR-UHFFFAOYSA-N;146.13;-0.81;;;;;DOPC;MDCG;27;1;"MARTINI bead: SNa_SP2";;;;;;;-0.24;;-5.15;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM390686;MM390686;N=C(N)C(=NN)N(N)C=O;RUZSJLAHEZNBQA-UHFFFAOYSA-N;144.14;-2.47;;;;;DOPC;MDCG;27;1;"MARTINI bead: P4_P2";;;;;;;-2.29;;-7.56;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM390687;MM390687;CCc1cc(=N)n(C)n1O;UGXLJYGWEJYCBZ-UHFFFAOYSA-N;141.17;0.11;;;;;DOPC;MDCG;27;1;"MARTINI bead: SN0_SP2";;;;;;;0.06;;-4.78;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM390688;MM390688;C=CN(N)C(=NO)C(=N)N;UKXTYLVSMRCSPI-UHFFFAOYSA-N;143.15;-0.97;;;;;DOPC;MDCG;27;1;"MARTINI bead: N0_P4";;;;;;;-0.88;;-4.95;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM390689;MM390689;Cn1c(=N)cc(CN)n1O;RLYCJMRYLYXHDG-UHFFFAOYSA-N;142.16;-1;;;;;DOPC;MDCG;27;1;"MARTINI bead: SP2_SP2";;;;;;;-1.34;;-6.74;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM390690;MM390690;N=CN(N)C(=NO)C(=N)N;HOYLQROXMIYYHU-UHFFFAOYSA-N;144.14;-1.51;;;;;DOPC;MDCG;27;1;"MARTINI bead: P2_P4";;;;;;;-2.29;;-6.99;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM390691;MM390691;Cn1c(=N)cc(CO)n1O;YLDOPIIXTFIEKK-UHFFFAOYSA-N;143.15;-0.96;;;;;DOPC;MDCG;27;1;"MARTINI bead: SP2_SP1";;;;;;;-1.06;;-6.14;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM390692;MM390692;COc1cn(N)c(=NN)o1;BXAOBYXUPWHJMT-UHFFFAOYSA-N;144.13;-1.42;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNa_SP2";;;;;;;-0.24;;-3.24;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM390693;MM390693;Cn1c(=N)cc(CF)n1O;CZHAGBVWLVVGDB-UHFFFAOYSA-N;145.14;0.01;;;;;DOPC;MDCG;27;1;"MARTINI bead: SP2_SNa";;;;;;;-0.24;;-5.5;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM390694;MM390694;CCc1nn(C)c(=NN)o1;WWVSYLMZTLBDDR-UHFFFAOYSA-N;142.16;-0.65;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNa_SP3";;;;;;;-1.1;;-4.2;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM390695;MM390695;CCc1cc(=O)n(C)n1O;ACEYNXMXPKPMRU-UHFFFAOYSA-N;142.16;-0.01;;;;;DOPC;MDCG;27;0;"MARTINI bead: SN0_SP2";;;;;;;0.06;;-2.21;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM390696;MM390696;Cn1nc(CF)oc1=NN;VIVZJOFPFPCHKZ-UHFFFAOYSA-N;146.13;-0.74;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP1_SP3";;;;;;;-1.93;;-4.72;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM390697;MM390697;Cn1c(=O)cc(CF)n1O;FIRCZZORTUYZIE-UHFFFAOYSA-N;146.12;-0.11;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP2_SNa";;;;;;;-0.24;;-3.24;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM390698;MM390698;COc1nn(C)c(=NN)o1;XJZNMSWONPSGQA-UHFFFAOYSA-N;144.13;-1.2;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP1_SP3";;;;;;;-1.93;;-4.72;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM390699;MM390699;NN=c1c(N)c(N)on1N;KJUQSFJVHMYJLI-UHFFFAOYSA-N;144.14;-2.27;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP3_SP1";;;;;;;-1.93;;-4.72;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM390700;MM390700;C=Cc1cn(N)c(=NN)o1;WPARQBONIVKXSG-UHFFFAOYSA-N;140.15;-0.79;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP2_SN0";;;;;;;0.06;;-2.21;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM390701;MM390701;Cc1on(N)c(=NN)c1F;MJOBWNUQQKLNMY-UHFFFAOYSA-N;146.13;-0.98;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNa_SP2";;;;;;;-0.24;;-3.24;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM390702;MM390702;C=C(F)C(=NO)N(N)C=O;VGZZNRQVFWHLAF-UHFFFAOYSA-N;147.11;-0.41;;;;;DOPC;MDCG;27;0;"MARTINI bead: P4_C5";;;;;;;-0.41;;-2.78;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM390703;MM390703;O=C(O)C(O)C#CCO;CDTUJKGORJZTBE-UHFFFAOYSA-N;130.1;-1.57;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_P2";;;;;;;-1.34;;-8.67;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM390704;MM390704;C=Cc1nn(C)c(=NN)o1;PROUXQRAMPHBLI-UHFFFAOYSA-N;140.15;-0.57;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP1_SP3";;;;;;;-1.93;;-4.72;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM390705;MM390705;CC(O)C(C=O)=CC(=O)O;VQYIIHYECFDEIR-UHFFFAOYSA-N;144.13;-0.42;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_Nda";;;;;;;-0.24;;-7.65;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM390706;MM390706;C=CN(O)C(=NC)C(=N)N;MUNKDQFOYFUFBO-UHFFFAOYSA-N;142.16;-0.21;;;;;DOPC;MDCG;27;1;"MARTINI bead: P3_N0";;;;;;;-0.8;;-4.81;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM390707;MM390707;CNc1cc(=N)n(C)n1C;IQVSRMYAOLMFNO-UHFFFAOYSA-N;140.19;-0.12;;;;;DOPC;MDCG;27;1;"MARTINI bead: SNd_SP2";;;;;;;-0.24;;-7.36;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM390708;MM390708;C=CN(O)C(=NN)C(=N)N;HLGDDOJEFKWGKU-UHFFFAOYSA-N;143.15;-0.97;;;;;DOPC;MDCG;27;1;"MARTINI bead: P5_N0";;;;;;;-0.81;;-5.79;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM390709;MM390709;CNc1cc(=O)n(C)n1C;ASUAJCHETSCNPG-UHFFFAOYSA-N;141.17;-0.23;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNd_SP2";;;;;;;-0.24;;-3.16;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM390710;MM390710;C#Cc1cn(N)c(=NN)o1;GQGHMEFAQUMZGP-UHFFFAOYSA-N;138.13;-1.45;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP2_SN0";;;;;;;0.06;;-2.21;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM390711;MM390711;CNc1cc(=N)n(N)n1C;BJYIFTHNNUHWRO-UHFFFAOYSA-N;141.18;-0.94;;;;;DOPC;MDCG;27;1;"MARTINI bead: SNd_SP3";;;;;;;-1.1;;-6.25;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM390712;MM390712;C=CN(O)C(=NO)C(N)=O;KANSPELFBNVNCJ-UHFFFAOYSA-N;145.12;-0.91;;;;;DOPC;MDCG;27;0;"MARTINI bead: P3_N0";;;;;;;-0.8;;-2.99;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM390713;MM390713;CNc1cc(=O)n(N)n1C;VINVIAHBYULSCT-UHFFFAOYSA-N;142.16;-1.06;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNd_SP2";;;;;;;-0.24;;-3.16;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM390714;MM390714;C=NNC(=CN=O)C(=O)O;OUFPEVGKTQGHNC-UHFFFAOYSA-N;143.1;-0.12;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_Nd";;;;;;;0.04;;-6.67;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM390715;MM390715;CNc1cc(=N)n(O)n1C;ACSZPDQAPSZAMG-UHFFFAOYSA-N;142.16;-0.41;;;;;DOPC;MDCG;27;1;"MARTINI bead: SNd_SP2";;;;;;;-0.24;;-5.61;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM390716;MM390716;CN=c1[nH]c(O)nc(=O)o1;YJJNKFKJYDYZRT-UHFFFAOYSA-N;143.1;-1.4;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP2_SP3";;;;;;;-2.2;;-9.04;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM390717;MM390717;CNc1cc(=N)n(C)n1N;ROQKDEVESZDHGA-UHFFFAOYSA-N;141.18;-0.94;;;;;DOPC;MDCG;27;1;"MARTINI bead: SNd_SP3";;;;;;;-1.1;;-7.63;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM390718;MM390718;C#Cc1nn(C)c(=NN)o1;XMODDMGQIYZIOM-UHFFFAOYSA-N;138.13;-1.23;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP1_SP3";;;;;;;-1.93;;-4.72;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM390719;MM390719;CNc1cc(=O)n(C)n1N;RESLHTYTWIAJHZ-UHFFFAOYSA-N;142.16;-1.06;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNd_SP3";;;;;;;-1.1;;-3.93;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM390720;MM390720;Cn1c(=N)cnoc1=NN;DFIPQRLWBQLFGT-UHFFFAOYSA-N;141.13;-1.73;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP3_SP2";;;;;;;-2.2;;-5.19;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM390721;MM390721;CNc1cc(=N)n(N)n1N;YPQBBKHCOMDXDZ-UHFFFAOYSA-N;142.17;-1.76;;;;;DOPC;MDCG;27;1;"MARTINI bead: SNd_SP3";;;;;;;-1.1;;-5.96;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM390722;MM390722;C=NN(C)C(=NO)C(C)=O;UJVPCPAZJWBMBK-UHFFFAOYSA-N;143.15;-0.09;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_Na";;;;;;;-0.24;;-3.24;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM390723;MM390723;CNc1cc(=O)n(N)n1N;LMGUOWUCMDTLTA-UHFFFAOYSA-N;143.15;-1.88;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNd_SP3";;;;;;;-1.1;;-3.93;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM390724;MM390724;C=C1C(C=O)=NNC1CC;QKTGPZFJORKUDS-UHFFFAOYSA-N;138.17;0.48;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNd_SP1";;;;;;;0.04;;-2.63;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM390725;MM390725;CNc1cc(=N)n(O)n1N;AZXGEQSDAWBARF-UHFFFAOYSA-N;143.15;-1.24;;;;;DOPC;MDCG;27;1;"MARTINI bead: SNd_SP2";;;;;;;-0.24;;-5.33;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM390726;MM390726;C#CC(C)C(=CC)C(C)=O;HMRKVXNRYQZUGG-UHFFFAOYSA-N;136.19;1.79;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_C5";;;;;;;2.41;;0.64;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM390727;MM390727;CNc1cc(=N)n(C)n1O;LGUWOPYEQGOFHZ-UHFFFAOYSA-N;142.16;-0.41;;;;;DOPC;MDCG;27;1;"MARTINI bead: SNd_SP2";;;;;;;-0.24;;-5.66;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM390728;MM390728;C#CC(C)C(=CN)C(C)=O;LRAPLIPPJJVNLI-UHFFFAOYSA-N;137.18;0.69;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_P2";;;;;;;0.54;;-1.09;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM390729;MM390729;CNc1cc(=O)n(C)n1O;RDYUZEWHVBQLDJ-UHFFFAOYSA-N;143.15;-0.53;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNd_SP2";;;;;;;-0.24;;-3.16;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM390730;MM390730;C#CC(C)C(=CC)C(=O)O;WTVVAYOTUJZUNQ-UHFFFAOYSA-N;138.17;1.29;;;;;DOPC;MDCG;27;-1;"MARTINI bead: C5_Nda";;;;;;;1.64;;-2.77;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM390731;MM390731;NN=c1c(F)c(F)on1N;KBLBJHNBNZIZTA-UHFFFAOYSA-N;150.09;-1.15;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP1_SNa";;;;;;;0.04;;-2.54;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM390732;MM390732;C#CC(N)C(=CC)C(=C)C;AQCPQHNKRWBLGR-UHFFFAOYSA-N;135.21;1.47;;;;;DOPC;MDCG;27;1;"MARTINI bead: P2_C1";;;;;;;1.8;;-0.17;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM390733;MM390733;N#CCC1=NC(=CO)C=N1;QCWKYLJOMNFTIY-UHFFFAOYSA-N;135.13;0.78;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNda_SP1";;;;;;;0.04;;-7.13;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM390734;MM390734;C#CC(O)C(=CC)C(=C)C;FJGFZWXABOLECJ-UHFFFAOYSA-N;136.19;1.5;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1_P2";;;;;;;1.8;;0.4;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM390735;MM390735;COc1cc(=N)n(C)n1C;RNGYAXHFUVOOMG-UHFFFAOYSA-N;141.17;-0.15;;;;;DOPC;MDCG;27;1;"MARTINI bead: SNa_SP2";;;;;;;-0.24;;-6.34;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM390736;MM390736;C#CC(O)C(=CC)C(C)=O;CPQOPPAUWSUQPA-UHFFFAOYSA-N;138.17;0.52;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_P2";;;;;;;0.54;;-1.09;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM390737;MM390737;COc1cc(=O)n(C)n1C;LPEAPWYANIXKDO-UHFFFAOYSA-N;142.16;-0.27;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNa_SP2";;;;;;;-0.24;;-3.24;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM390738;MM390738;C#CC(O)C(=CN)C(=N)N;BEIYAYSRUXZSDA-UHFFFAOYSA-N;139.16;-1.24;;;;;DOPC;MDCG;27;1;"MARTINI bead: P2_P3";;;;;;;-2.2;;-8.85;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM390739;MM390739;COc1cc(=O)n(N)n1C;XZZXAKDAKVVKEC-UHFFFAOYSA-N;143.15;-1.09;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNa_SP2";;;;;;;-0.24;;-3.24;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM390740;MM390740;NN=CC=CC(O)C(=O)O;GWQGYIMMFAHKBT-UHFFFAOYSA-N;144.13;-1.07;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_P1";;;;;;;-0.79;;-7.17;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM390741;MM390741;COc1cc(=N)n(O)n1C;LLPAFEDWIKASNT-UHFFFAOYSA-N;143.15;-0.45;;;;;DOPC;MDCG;27;1;"MARTINI bead: SNa_SP2";;;;;;;-0.24;;-4.5;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM390742;MM390742;C#CC(F)C(=CF)C(=N)N;AIINZZKGCKVVJY-UHFFFAOYSA-N;144.12;0.75;;;;;DOPC;MDCG;27;1;"MARTINI bead: P3_C4";;;;;;;0.23;;-3.38;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM390743;MM390743;COc1cc(=N)n(C)n1N;CCSFKZQODYEJEX-UHFFFAOYSA-N;142.16;-0.97;;;;;DOPC;MDCG;27;1;"MARTINI bead: SNa_SP3";;;;;;;-1.1;;-6.82;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM390744;MM390744;C#CC(F)C(=CF)C(N)=O;SSINFBJFZIASQZ-UHFFFAOYSA-N;145.11;0.3;;;;;DOPC;MDCG;27;0;"MARTINI bead: P3_C4";;;;;;;0.23;;-1.03;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM390745;MM390745;COc1cc(=O)n(C)n1N;RJODOVNHBNWGIK-UHFFFAOYSA-N;143.15;-1.09;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNa_SP3";;;;;;;-1.1;;-4.2;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM390746;MM390746;C#CC(C)C(=NN)C(=N)N;QHDWWCSPDMYINZ-UHFFFAOYSA-N;138.17;-0.49;;;;;DOPC;MDCG;27;1;"MARTINI bead: C5_P3";;;;;;;-0.33;;-3.73;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM390747;MM390747;COc1cc(=O)n(N)n1N;CHAJUZJNCXYFGV-UHFFFAOYSA-N;144.13;-1.91;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNa_SP3";;;;;;;-1.1;;-4.2;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM390748;MM390748;Cn1c(CF)noc1=NN;WTWUQOPXDHYGQQ-UHFFFAOYSA-N;146.13;-0.74;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNa_SP2";;;;;;;-0.24;;-3.24;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM390749;MM390749;COc1cc(=N)n(C)n1O;GWCNCARBMDAACG-UHFFFAOYSA-N;143.15;-0.45;;;;;DOPC;MDCG;27;1;"MARTINI bead: SNa_SP2";;;;;;;-0.24;;-4.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM390750;MM390750;NN(C=O)CCC(=O)O;USJRIHAVRRXMOE-UHFFFAOYSA-N;132.12;-1.21;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_P1";;;;;;;-1.06;;-7.82;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM390751;MM390751;COc1cc(=O)n(C)n1O;XJAHRPGUFIRIDG-UHFFFAOYSA-N;144.13;-0.57;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNa_SP2";;;;;;;-0.24;;-3.24;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM390752;MM390752;N#CC(N=CN1CC1)=NO;FRFZVFIWJYMKLP-UHFFFAOYSA-N;138.13;-0.36;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_SP1";;;;;;;-1.06;;-7.82;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM390753;MM390753;C#CCC1CC1C1(O)CC1;DSYSCGDPWYKBDW-UHFFFAOYSA-N;136.19;1.17;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP1_SC4";;;;;;;1.37;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM390754;MM390754;NC(=O)C(F)C(O)C(=O)O;SFEMZCAWXBCMAH-UHFFFAOYSA-N;151.09;-1.74;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_P2";;;;;;;-1.34;;-8.32;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM390755;MM390755;C=Cn1nnc(=NO)[nH]1;LPSIKJIUEWKNIV-UHFFFAOYSA-N;127.11;-1;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP3_SP1";;;;;;;-1.93;;-8.78;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM390756;MM390756;C#CC(O)C(=NN)C(=C)F;DPBMUBWEZMCHBM-UHFFFAOYSA-N;142.13;-0.22;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_C5";;;;;;;0.54;;-1.09;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM390757;MM390757;CCc1nc(=N)n(C)n1C;LZIOAEAGFZILDG-UHFFFAOYSA-N;140.19;-0.2;;;;;DOPC;MDCG;27;1;"MARTINI bead: SNa_SP3";;;;;;;-1.1;;-8.38;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM390758;MM390758;CCOC(C(N)=O)C(=O)O;ACRRITJBLRUIBJ-UHFFFAOYSA-N;147.13;-1.04;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda_P3";;;;;;;-1.1;;-7.86;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM390759;MM390759;Cn1c(CN)nc(=N)n1C;YTRXZGRWEMJCIU-UHFFFAOYSA-N;141.18;-1.3;;;;;DOPC;MDCG;27;1;"MARTINI bead: SP2_SP3";;;;;;;-2.2;;-9.29;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM390760;MM390760;C=C(CN)C(=CF)C(C)N;ASNMLBWOGKHYMC-UHFFFAOYSA-N;144.19;0.7;;;;;DOPC;MDCG;27;1;"MARTINI bead: P2_Na";;;;;;;-0.24;;-5.8;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM390761;MM390761;Cn1c(CO)nc(=N)n1C;AFWLFSMURZZKDL-UHFFFAOYSA-N;142.16;-1.27;;;;;DOPC;MDCG;27;1;"MARTINI bead: SP2_SP3";;;;;;;-2.2;;-9.26;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM390762;MM390762;C=C(CN)C(=CC)C(C)F;GCIODNAKNDVUOV-UHFFFAOYSA-N;143.21;1.81;;;;;DOPC;MDCG;27;1;"MARTINI bead: C1_P2";;;;;;;1.8;;-1.08;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM390763;MM390763;Cn1c(CF)nc(=N)n1C;BMZNCVJESMFFGE-UHFFFAOYSA-N;144.15;-0.29;;;;;DOPC;MDCG;27;1;"MARTINI bead: SP1_SP3";;;;;;;-1.93;;-8.81;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM390764;MM390764;CC=C(C(=O)CC)C(C)F;KXUVWULUVKSACT-UHFFFAOYSA-N;144.19;2.27;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_C5";;;;;;;2.41;;0.64;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM390765;MM390765;CCc1nc(=O)n(C)n1C;AGHUNJJUQDMSEL-UHFFFAOYSA-N;141.17;-0.32;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNa_SP2";;;;;;;-0.24;;-3.24;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM390766;MM390766;CC=C(C(=N)NO)C(C)C;XSUPTVGANLSXHH-UHFFFAOYSA-N;142.2;1.54;;;;;DOPC;MDCG;27;1;"MARTINI bead: C1_P4";;;;;;;0.85;;-2.72;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM390767;MM390767;Cn1c(CO)nc(=O)n1C;GYGRWJINLAPCLJ-UHFFFAOYSA-N;143.15;-1.39;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP2_SP2";;;;;;;-1.34;;-4.31;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM390768;MM390768;CC(C)C(=CF)C(=N)NN;NNKCVJFRRBIJGG-UHFFFAOYSA-N;145.18;0.94;;;;;DOPC;MDCG;27;1;"MARTINI bead: C3_P4";;;;;;;0.52;;-3.17;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM390769;MM390769;Cn1c(CF)nc(=O)n1C;DTXXNKNQXAMVBD-UHFFFAOYSA-N;145.14;-0.41;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP1_SP2";;;;;;;-1.06;;-3.82;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM390770;MM390770;CNC(=N)C(=CN)C(F)F;ZLQCFBRFBUKDMC-UHFFFAOYSA-N;149.14;0.29;;;;;DOPC;MDCG;27;1;"MARTINI bead: P2_N0";;;;;;;0.06;;-5.86;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM390771;MM390771;CCc1nc(=N)n(N)n1C;IYPLNXIXFKPIKE-UHFFFAOYSA-N;141.18;-1.02;;;;;DOPC;MDCG;27;1;"MARTINI bead: SNa_SP3";;;;;;;-1.1;;-7.73;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM390772;MM390772;N#CCNC=NN=CCF;XMFSFFAXWVKLRL-UHFFFAOYSA-N;142.14;0.08;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_P2";;;;;;;0.54;;-1.09;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM390773;MM390773;Cn1c(CO)nc(=N)n1N;NNBJZBSPQQAPEZ-UHFFFAOYSA-N;143.15;-2.09;;;;;DOPC;MDCG;27;1;"MARTINI bead: SP2_SP3";;;;;;;-2.2;;-8.32;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM390774;MM390774;CC=C(C(=O)NO)C(C)C;VQCPTRCWQMBVBD-UHFFFAOYSA-N;143.19;1.09;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1_P4";;;;;;;0.85;;-0.64;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM390775;MM390775;CCc1nc(=O)n(N)n1C;HFGAGCRGVLUQRQ-UHFFFAOYSA-N;142.16;-1.14;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNa_SP3";;;;;;;-1.1;;-4.2;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM390776;MM390776;CC=CC#CC(=O)C1CN1;IYWZVJQDJSYUNJ-UHFFFAOYSA-N;135.17;0.11;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4_SP2";;;;;;;1.09;;-0.38;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM390777;MM390777;CCc1nc(=N)n(O)n1C;FDGQLARHYSQYIK-UHFFFAOYSA-N;142.16;-0.5;;;;;DOPC;MDCG;27;1;"MARTINI bead: SNa_SP3";;;;;;;-1.1;;-7.72;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM390778;MM390778;CNC1=NN=C(CF)CO1;GZNLMKYKNPZRCL-UHFFFAOYSA-N;145.14;-0.08;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP1_SNa";;;;;;;0.04;;-2.54;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM390779;MM390779;Cn1c(CN)nc(=N)n1O;MFFGMGDCJYVRGK-UHFFFAOYSA-N;143.15;-1.6;;;;;DOPC;MDCG;27;1;"MARTINI bead: SP2_SP3";;;;;;;-2.2;;-8.51;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM390780;MM390780;CC=C(C(=O)NO)C(C)F;DXOSNDLPJBVNBU-UHFFFAOYSA-N;147.15;0.8;;;;;DOPC;MDCG;27;0;"MARTINI bead: C3_P4";;;;;;;0.52;;-1.59;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM390781;MM390781;Cn1c(CO)nc(=N)n1O;AHYQVLWJRDLJFY-UHFFFAOYSA-N;144.13;-1.57;;;;;DOPC;MDCG;27;1;"MARTINI bead: SP2_SP3";;;;;;;-2.2;;-8.31;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM390782;MM390782;COC(=O)C(=CN)C(C)C;KWAJMFROHOQYPJ-UHFFFAOYSA-N;143.19;0.66;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_C5";;;;;;;0.81;;-0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM390783;MM390783;Cn1c(CF)nc(=N)n1O;QNUGFPZJAOEUIR-UHFFFAOYSA-N;146.13;-0.59;;;;;DOPC;MDCG;27;1;"MARTINI bead: SP1_SP3";;;;;;;-1.93;;-7.74;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM390784;MM390784;CC=C(C(=O)OC)C(C)N;XBCBMSQPMFWFNX-UHFFFAOYSA-N;143.19;0.45;;;;;DOPC;MDCG;27;1;"MARTINI bead: C5_P1";;;;;;;0.81;;-2.04;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM390785;MM390785;C=C(C#CC(=O)O)C=NN;DBYYIEAJTOKTFU-UHFFFAOYSA-N;138.13;-0.42;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_N0";;;;;;;0.34;;-5.95;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM390786;MM390786;CNC(=O)C(OC)C(=O)O;VTZWWVLRQXKDHI-UHFFFAOYSA-N;147.13;-1.17;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_P1";;;;;;;-1.06;;-7.83;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM390787;MM390787;CCc1nc(=N)n(C)n1N;IMVLPZSLLCIGGI-UHFFFAOYSA-N;141.18;-1.02;;;;;DOPC;MDCG;27;1;"MARTINI bead: SNa_SP3";;;;;;;-1.1;;-8.27;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM390788;MM390788;O=C(O)C(O)C1CO1;SWMXQXQASCFLLG-UHFFFAOYSA-N;118.09;-1.17;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP1_P2";;;;;;;-1.06;;-7.83;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM390789;MM390789;Cn1c(=N)nc(CO)n1N;PSIGNAMZVGOFAQ-UHFFFAOYSA-N;143.15;-2.09;;;;;DOPC;MDCG;27;1;"MARTINI bead: SP3_SP2";;;;;;;-2.2;;-9.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM390790;MM390790;CNC(=N)C(=NN)C(C)O;CJIHOSIZNQQOAP-UHFFFAOYSA-N;144.18;-1.12;;;;;DOPC;MDCG;27;1;"MARTINI bead: P2_P1";;;;;;;-1.06;;-5.48;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM390791;MM390791;Cn1c(=N)nc(CF)n1N;SWDUKPASGOWVKA-UHFFFAOYSA-N;145.14;-1.12;;;;;DOPC;MDCG;27;1;"MARTINI bead: SP3_SP1";;;;;;;-1.93;;-8.56;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM390792;MM390792;CNC(C#N)C#CC1CC1;POCYDDQISNZXRC-UHFFFAOYSA-N;134.18;0.51;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_SC5";;;;;;;0.81;;-0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM390793;MM390793;CCc1nc(=O)n(C)n1N;USRBNCXKMSTVAD-UHFFFAOYSA-N;142.16;-1.14;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNa_SP3";;;;;;;-1.1;;-4.2;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM390794;MM390794;CC1C(C=O)N1C;GZCWPYVOCAIMQD-UHFFFAOYSA-N;99.13;-0.11;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNd_P2";;;;;;;-0.24;;-3.16;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM390795;MM390795;C=CCNN=c1ocno1;NDJDKTYEAMEALO-UHFFFAOYSA-N;141.13;-0.14;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_SP2";;;;;;;-1.06;;-3.82;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM390796;MM390796;C=C(C)C1CC1(C)O;HGAQHUJNSIHYNP-UHFFFAOYSA-N;112.17;1.33;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4_SNda";;;;;;;2.2;;0.49;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM390797;MM390797;Cn1c(=O)nc(CF)n1N;KKQZGWMWTOMEHR-UHFFFAOYSA-N;146.13;-1.23;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP3_SP1";;;;;;;-1.93;;-4.72;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM390798;MM390798;CNC(=O)C(=NO)C(C)C;MGDKBVZFOGQQTL-UHFFFAOYSA-N;144.17;0.22;;;;;DOPC;MDCG;27;0;"MARTINI bead: P3_C5";;;;;;;-0.33;;-2.01;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM390799;MM390799;CCc1nc(=N)n(N)n1N;IIHVJJCNHAPOJC-UHFFFAOYSA-N;142.17;-1.85;;;;;DOPC;MDCG;27;1;"MARTINI bead: SNa_SP3";;;;;;;-1.1;;-7.19;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM390800;MM390800;CC(O)C(=NN)C(=O)NO;UIIKHHOEXWRSIT-UHFFFAOYSA-N;147.13;-1.81;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_P4";;;;;;;-2.01;;-5.13;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM390801;MM390801;N=c1nc(CO)n(N)n1N;VFDYJKINRDCUMJ-UHFFFAOYSA-N;144.14;-2.92;;;;;DOPC;MDCG;27;1;"MARTINI bead: SP2_SP3";;;;;;;-2.2;;-7.72;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM390802;MM390802;CC(O)(COC=O)C(=O)O;RZQZKIPNHWACLY-UHFFFAOYSA-N;148.11;-1.01;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_P1";;;;;;;-1.06;;-7.83;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM390803;MM390803;N=c1nc(CF)n(N)n1N;QCPFNKIETDMDPV-UHFFFAOYSA-N;146.13;-1.94;;;;;DOPC;MDCG;27;1;"MARTINI bead: SP1_SP3";;;;;;;-1.93;;-7.15;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM390804;MM390804;Cc1c(O)nnn1C=O;LIDILALGPOXIJS-UHFFFAOYSA-N;127.1;-0.67;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP2_SP1";;;;;;;-1.06;;-7.83;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM390805;MM390805;CCc1nc(=O)n(N)n1N;RNWRFQRLURZICQ-UHFFFAOYSA-N;143.15;-1.97;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNa_SP5";;;;;;;-1.11;;-5.49;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM390806;MM390806;COC(=O)C(=NN)C(F)F;QBTXQZJQMDWLPF-UHFFFAOYSA-N;152.1;-0.26;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_N0";;;;;;;0.34;;-1.53;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM390807;MM390807;CCc1nc(=N)n(O)n1N;ALXDDARMVQWWFX-UHFFFAOYSA-N;143.15;-1.32;;;;;DOPC;MDCG;27;1;"MARTINI bead: SNa_SP3";;;;;;;-1.1;;-7.19;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM390808;MM390808;Cc1cc(=O)n(O)c(O)n1;UQIWMEVEOREUST-UHFFFAOYSA-N;142.11;-0.51;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNa_SP2";;;;;;;-0.24;;-7.26;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM390809;MM390809;N=c1nc(CO)n(N)n1O;GBAAZWRKVGCELW-UHFFFAOYSA-N;145.12;-2.39;;;;;DOPC;MDCG;27;1;"MARTINI bead: SP2_SP3";;;;;;;-2.2;;-7.73;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM390810;MM390810;C=C(CO)C(=NN)N(C)C;YZYRBBDVRSBTGJ-UHFFFAOYSA-N;143.19;-0.63;;;;;DOPC;MDCG;27;1;"MARTINI bead: P2_Nda";;;;;;;-0.24;;-5.23;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM390811;MM390811;N=c1nc(CF)n(N)n1O;YVVLSJPWCPHDDH-UHFFFAOYSA-N;147.11;-1.42;;;;;DOPC;MDCG;27;1;"MARTINI bead: SP1_SP3";;;;;;;-1.93;;-7.15;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM390812;MM390812;C=C(CN)C(=NC)N(C)O;BFOBIFGEDNFZQE-UHFFFAOYSA-N;143.19;-0.15;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nda_P2";;;;;;;-0.24;;-4.41;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM390813;MM390813;Nc1nnc(=O)[nH]c(=O)n1;BLRGFCSHVOXORS-UHFFFAOYSA-N;141.09;-2.5;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP4_SP4";;;;;;;-3.24;;-11.01;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM390814;MM390814;CN(C)C(=NO)C(=O)CF;FMMSKJIVXYBEFP-UHFFFAOYSA-N;148.14;-0.13;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_Na";;;;;;;-0.24;;-3.24;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM390815;MM390815;CCc1nc(=N)n(C)n1O;GICHZFVPSLINMI-UHFFFAOYSA-N;142.16;-0.5;;;;;DOPC;MDCG;27;1;"MARTINI bead: SNa_SP3";;;;;;;-1.1;;-7.04;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM390816;MM390816;C=C1C=CC(C)(O)C1;IDTGSHHAARYWTP-UHFFFAOYSA-N;110.16;1.25;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNda_SC4";;;;;;;2.2;;0.49;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM390817;MM390817;Cn1c(=N)nc(CN)n1O;WEXISVOGWVKWNW-UHFFFAOYSA-N;143.15;-1.6;;;;;DOPC;MDCG;27;1;"MARTINI bead: SP3_SP2";;;;;;;-2.2;;-7.77;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM390818;MM390818;CNNC(=NN)OC;MLYDXQXNCRUPFC-UHFFFAOYSA-N;118.14;-1.41;;;;;DOPC;MDCG;27;0;"MARTINI bead: P3_P1";;;;;;;-1.93;;-4.72;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM390819;MM390819;Cn1c(=N)nc(CO)n1O;LHYNBNDLEDUQQE-UHFFFAOYSA-N;144.13;-1.57;;;;;DOPC;MDCG;27;1;"MARTINI bead: SP3_SP2";;;;;;;-2.2;;-7.55;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM390820;MM390820;CNC(=N)C(=NO)N(C)C;DCFJCFABVXIWQJ-UHFFFAOYSA-N;144.18;-0.47;;;;;DOPC;MDCG;27;1;"MARTINI bead: P2_P2";;;;;;;-1.34;;-6.63;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM390821;MM390821;Cn1c(=N)nc(CF)n1O;KWBKIOYPJGVOTF-UHFFFAOYSA-N;146.13;-0.59;;;;;DOPC;MDCG;27;1;"MARTINI bead: SP3_SP1";;;;;;;-1.93;;-6.97;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM390822;MM390822;CN=C(C(=O)NO)N(C)C;CLQHJELODQDMQY-UHFFFAOYSA-N;145.16;-0.92;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda_P3";;;;;;;-1.1;;-3.97;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM390823;MM390823;CCc1nc(=O)n(C)n1O;IREKCAFYTZRIDO-UHFFFAOYSA-N;143.15;-0.62;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNa_SP3";;;;;;;-1.1;;-4.2;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM390824;MM390824;C=CC1C(C=O)N1C;KNBBKPGMEMGCCW-UHFFFAOYSA-N;111.14;0.05;;;;;DOPC;MDCG;27;0;"MARTINI bead: N0_SP2";;;;;;;0.06;;-2.21;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM390825;MM390825;Cn1c(=O)nc(CO)n1O;VOWYIAAWEOJSGV-UHFFFAOYSA-N;145.12;-1.69;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP3_SP2";;;;;;;-2.2;;-5.19;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM390826;MM390826;CN=C(C(=O)OC)N(C)C;YRAXXOHALNWODF-UHFFFAOYSA-N;144.17;-0.25;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_Nd";;;;;;;0.04;;-2.63;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM390827;MM390827;Cn1c(=O)nc(CF)n1O;XNVGPWNYPKXPPV-UHFFFAOYSA-N;147.11;-0.71;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP3_SP1";;;;;;;-1.93;;-4.72;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM390828;MM390828;C=CCC1CC(C)(O)C1;SINPBHHHJOECSS-UHFFFAOYSA-N;126.2;1.72;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNda_SC2";;;;;;;2.83;;0.57;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM390829;MM390829;CCc1nc(=N)n(N)n1O;KDXGAFUDGRKPSY-UHFFFAOYSA-N;143.15;-1.32;;;;;DOPC;MDCG;27;1;"MARTINI bead: SNa_SP3";;;;;;;-1.1;;-5.41;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM390830;MM390830;C=CC1(C)CC(O)C1C;UHKCVMFKXRFEPF-UHFFFAOYSA-N;126.2;1.58;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNda_SC3";;;;;;;2.57;;0.44;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM390831;MM390831;C#CC(=O)C1NC1C=CC;JBDCVZHHYDWZQY-UHFFFAOYSA-N;135.17;0.11;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNd_P1";;;;;;;0.04;;-2.63;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM390832;MM390832;C=C(C#N)C(=CC)C(C)C;LMFUJNPLTCCQDH-UHFFFAOYSA-N;135.21;2.67;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1_N0";;;;;;;3.21;;0.46;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM390833;MM390833;C=C(C=O)C(=CF)C(C)C;IGCLWTMPXCKYOB-UHFFFAOYSA-N;142.17;2.25;;;;;DOPC;MDCG;27;0;"MARTINI bead: C3_Na";;;;;;;2.57;;0.45;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM390834;MM390834;CCc1nc(=N)n(O)n1O;KFSBLDBQXQXYKE-UHFFFAOYSA-N;144.13;-0.8;;;;;DOPC;MDCG;27;1;"MARTINI bead: SNa_SP2";;;;;;;-0.24;;-4.44;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM390835;MM390835;C=CC(=O)C(=CC)C(C)C;DQELDBJFLJRHCI-UHFFFAOYSA-N;138.21;2.34;;;;;DOPC;MDCG;27;0;"MARTINI bead: C3_C5";;;;;;;3.34;;0.48;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM390836;MM390836;O=c1cnc(=O)oc(O)c1;JNRZGXDBCLXKPG-UHFFFAOYSA-N;141.08;-0.9;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP2_SP2";;;;;;;-1.34;;-8.68;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM390837;MM390837;CC=C(C(=O)C#N)C(C)C;PRMCHPVEUYRSJJ-UHFFFAOYSA-N;137.18;1.68;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1_P1";;;;;;;2.08;;0.48;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM390838;MM390838;C=C(OCC)C(=O)C(=O)O;SHWJOZJGGDZWSJ-UHFFFAOYSA-N;144.13;0.19;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_P2";;;;;;;0.54;;-5.43;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM390839;MM390839;CC(C)C(=CN)C(=O)C#N;SFOSTPAJRCBWDO-UHFFFAOYSA-N;138.17;0.58;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_P1";;;;;;;0.81;;-0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM390840;MM390840;CNc1nc(=N)n(C)n1C;ZSLGQYCCRZRLPN-UHFFFAOYSA-N;141.18;-0.72;;;;;DOPC;MDCG;27;1;"MARTINI bead: SP1_SP3";;;;;;;-1.93;;-8.88;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM390841;MM390841;CC=C(C(=O)C#N)C(C)O;KDAXOBCHIHKPMZ-UHFFFAOYSA-N;139.15;0.41;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_P1";;;;;;;0.81;;-0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM390842;MM390842;CCOC=NNC=CC#N;VCPVKRSUDJDYCU-UHFFFAOYSA-N;139.16;0.59;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda_N0";;;;;;;1.17;;-1.13;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM390843;MM390843;CC(O)C(=CN)C(=O)C=O;HWDQXOWIROAQKM-UHFFFAOYSA-N;143.14;-1.02;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_P1";;;;;;;-0.79;;-3.13;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM390844;MM390844;CNc1nc(=N)n(N)n1C;HCTNQIWEQPSXQD-UHFFFAOYSA-N;142.17;-1.54;;;;;DOPC;MDCG;27;1;"MARTINI bead: SP1_SP3";;;;;;;-1.93;;-8.88;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM390845;MM390845;N#Cc1onc(O)c1N;WBEFYJPCRDLLPU-UHFFFAOYSA-N;125.09;-0.17;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP1_SN0";;;;;;;0.34;;-5.58;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM390846;MM390846;C=CCCC=NNC=NN;QSPJPAUBTXNKJH-UHFFFAOYSA-N;140.19;0.43;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_C5";;;;;;;0.81;;-0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM390847;MM390847;CC1CCC(C)(CO)C1;SPOLBNWYLOCANF-UHFFFAOYSA-N;128.22;1.81;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC3_SC5";;;;;;;3.34;;0.48;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM390848;MM390848;CNc1nc(=N)n(O)n1C;RJQBCUDYSAPZMO-UHFFFAOYSA-N;143.15;-1.02;;;;;DOPC;MDCG;27;1;"MARTINI bead: SP1_SP3";;;;;;;-1.93;;-7.55;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM390849;MM390849;COC(=NN)NN(C)C;VHHJMYZAKZZIRO-UHFFFAOYSA-N;132.17;-1.07;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_P2";;;;;;;-1.06;;-3.82;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM390850;MM390850;CC=C(OC)C(=O)C(=O)O;BMZRAPZJAWWOBN-UHFFFAOYSA-N;144.13;0.19;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_P2";;;;;;;0.54;;-5.43;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM390851;MM390851;C=C(C=O)C(=NO)N(C)O;OZDSFBUPYGZWAW-UHFFFAOYSA-N;144.13;-0.15;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_Na";;;;;;;-0.24;;-3.24;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM390852;MM390852;CNc1nc(=N)n(C)n1N;HRUSKLIPKLMAHK-UHFFFAOYSA-N;142.17;-1.54;;;;;DOPC;MDCG;27;1;"MARTINI bead: SP1_SP3";;;;;;;-1.93;;-8.88;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM390853;MM390853;C=C(C#N)C(=NO)N(C)O;PONFWJVEWGXHCZ-UHFFFAOYSA-N;141.13;0.17;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_N0";;;;;;;0.06;;-2.21;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM390854;MM390854;C=CCN=NC=CNN=C;YWTASBZXKMGVTB-UHFFFAOYSA-N;138.17;1.3;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4_P2";;;;;;;1.09;;-0.38;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM390855;MM390855;C#CC(=O)C(=CF)C(C)C;ORPIDBXSQWEADO-UHFFFAOYSA-N;140.16;1.7;;;;;DOPC;MDCG;27;0;"MARTINI bead: C3_P1";;;;;;;1.74;;0.29;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM390856;MM390856;CNc1nc(=N)n(N)n1N;UJHPBLSNBCFMLV-UHFFFAOYSA-N;143.15;-2.37;;;;;DOPC;MDCG;27;1;"MARTINI bead: SP1_SP3";;;;;;;-1.93;;-8.88;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM390857;MM390857;CC1CC1C(C)(C)CO;KKCJFTFGRWKSHC-UHFFFAOYSA-N;128.22;1.66;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC5_Nda";;;;;;;1.64;;0.05;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM390858;MM390858;NN=c1c(F)cnnn1N;CIACABHMLVDGCT-UHFFFAOYSA-N;144.11;-2.09;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP2_SP1";;;;;;;-1.06;;-3.82;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM390859;MM390859;C=C(F)C(=CF)C(=C)CN;PGGNGKJWSSCVCM-UHFFFAOYSA-N;145.15;1.84;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nda_C5";;;;;;;1.64;;-2.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM390860;MM390860;CNc1nc(=N)n(O)n1N;KHNVXWWRRMDDEX-UHFFFAOYSA-N;144.14;-1.84;;;;;DOPC;MDCG;27;1;"MARTINI bead: SP1_SP3";;;;;;;-1.93;;-8.88;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM390861;MM390861;CC=C(C(C)=O)C(=O)CO;ARZIPWPOLLEORD-UHFFFAOYSA-N;142.15;0.08;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_P2";;;;;;;0.54;;-1.09;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM390862;MM390862;C=COC(C)C#CC(=O)O;FANWGJNLSWLGGC-UHFFFAOYSA-N;140.14;0.62;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_P1";;;;;;;0.81;;-4.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM390863;MM390863;CC(=O)C(=CF)C(=O)CF;NZUOLYDMPNAXDD-UHFFFAOYSA-N;148.11;0.97;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_Na";;;;;;;0.87;;-2.22;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM390864;MM390864;CNc1nc(=N)n(C)n1O;XYBHUGLTADZHHW-UHFFFAOYSA-N;143.15;-1.02;;;;;DOPC;MDCG;27;1;"MARTINI bead: SP1_SP3";;;;;;;-1.93;;-6.58;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM390865;MM390865;N=C(N)C(=CN)C(=O)CO;MCYKZBGKNVPKBG-UHFFFAOYSA-N;143.15;-1.67;;;;;DOPC;MDCG;27;1;"MARTINI bead: P3_P2";;;;;;;-2.2;;-7.25;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM390866;MM390866;C#CC1=NNC(=NN)CC1;FOXUFWBJVDHGMO-UHFFFAOYSA-N;136.16;-0.37;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP1_SP1";;;;;;;-0.79;;-3.13;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM390867;MM390867;N=C(N)C(=CN)C(=O)CF;ZYJMYRLOPUNJDI-UHFFFAOYSA-N;145.14;-0.7;;;;;DOPC;MDCG;27;1;"MARTINI bead: P3_Na";;;;;;;-1.1;;-6.22;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM390868;MM390868;CNc1nc(=N)n(N)n1O;YIHXVVOTQFZFEU-UHFFFAOYSA-N;144.14;-1.84;;;;;DOPC;MDCG;27;1;"MARTINI bead: SP1_SP3";;;;;;;-1.93;;-6.09;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM390869;MM390869;NC=C(C(N)=O)C(=O)CF;HTLVCYYGZFZZFW-UHFFFAOYSA-N;146.12;-1.15;;;;;DOPC;MDCG;27;0;"MARTINI bead: P3_Na";;;;;;;-1.1;;-4.2;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM390870;MM390870;C#CC(C#N)NCC1CC1;FYSPQWGIZAEOCB-UHFFFAOYSA-N;134.18;0.51;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_SC5";;;;;;;0.81;;-0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM390871;MM390871;CCC(=O)C(=CF)C(N)=O;OXTUJGOPSPPPBJ-UHFFFAOYSA-N;145.13;0.3;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_P1";;;;;;;0.04;;-2.54;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM390872;MM390872;O=C(O)C(O)C#CC=CF;USRJQUGBCJBIFO-UHFFFAOYSA-N;144.1;-0.08;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_P2";;;;;;;0.54;;-5.43;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM390873;MM390873;C=CC#Cc1nnn[nH]1;IUURJJQPQTWSAG-UHFFFAOYSA-N;120.12;-0.26;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNda_SP1";;;;;;;0.04;;-6.76;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM390874;MM390874;COc1nc(=N)n(C)n1C;PXRLHVNIDZDHKJ-UHFFFAOYSA-N;142.16;-0.75;;;;;DOPC;MDCG;27;1;"MARTINI bead: SP1_SP3";;;;;;;-1.93;;-8.51;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM390875;MM390875;CC=C(C(C)=O)C(N)=NC;BDAVGLGUMIUFSZ-UHFFFAOYSA-N;140.19;0.51;;;;;DOPC;MDCG;27;1;"MARTINI bead: C5_P2";;;;;;;0.54;;-2.8;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM390876;MM390876;COc1nc(=O)n(C)n1C;PVNTYGAZSMMSQG-UHFFFAOYSA-N;143.15;-0.87;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP1_SP2";;;;;;;-1.06;;-3.82;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM390877;MM390877;CNC(=N)C(=CN)C(=N)N;YSEUSBUNTFWIMD-UHFFFAOYSA-N;141.18;-1.04;;;;;DOPC;MDCG;27;1;"MARTINI bead: P2_P3";;;;;;;-2.2;;-8.74;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM390878;MM390878;COc1nc(=N)n(N)n1C;WHYFCXKGKHKMLD-UHFFFAOYSA-N;143.15;-1.58;;;;;DOPC;MDCG;27;1;"MARTINI bead: SP1_SP3";;;;;;;-1.93;;-6.96;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM390879;MM390879;N=C(N)C(=CN)C(=N)NN;ALCSZJLIVKWVGX-UHFFFAOYSA-N;142.17;-1.79;;;;;DOPC;MDCG;27;1;"MARTINI bead: P2_P3";;;;;;;-2.2;;-8.34;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM390880;MM390880;COc1nc(=N)n(O)n1C;HSGZUVBCAINGJH-UHFFFAOYSA-N;144.13;-1.05;;;;;DOPC;MDCG;27;1;"MARTINI bead: SP1_SP3";;;;;;;-1.93;;-6.96;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM390881;MM390881;N=C(N)C(=CN)C(=N)NO;UHOHSONESZAJKU-UHFFFAOYSA-N;143.15;-1.28;;;;;DOPC;MDCG;27;1;"MARTINI bead: P3_P2";;;;;;;-2.2;;-8.22;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM390882;MM390882;C#CC1(C#C)OC1C(=O)O;XLWIPFMLRPIUGK-UHFFFAOYSA-N;136.11;-0.53;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_SNa";;;;;;;0.04;;-6.97;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM390883;MM390883;CNC(=N)C(=CF)C(=N)N;IOJPJSDIMGOARO-UHFFFAOYSA-N;144.15;-0.03;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nda_P3";;;;;;;-1.1;;-6.46;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM390884;MM390884;COc1nc(=N)n(C)n1N;DUFAXQBSPZQSNH-UHFFFAOYSA-N;143.15;-1.58;;;;;DOPC;MDCG;27;1;"MARTINI bead: SP1_SP3";;;;;;;-1.93;;-8.03;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM390885;MM390885;COc1nc(=O)n(C)n1N;FVBGNTYNTGUEDZ-UHFFFAOYSA-N;144.13;-1.7;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP1_SP3";;;;;;;-1.93;;-4.72;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM390886;MM390886;N=C(N)C(=CF)C(=N)NN;BVNSLGQHDYYZPH-UHFFFAOYSA-N;145.14;-0.78;;;;;DOPC;MDCG;27;1;"MARTINI bead: P4_Na";;;;;;;-1.19;;-6.69;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM390887;MM390887;COc1nc(=N)n(N)n1N;NCEYNURIRKFPOJ-UHFFFAOYSA-N;144.14;-2.4;;;;;DOPC;MDCG;27;1;"MARTINI bead: SP1_SP3";;;;;;;-1.93;;-6.43;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM390888;MM390888;N=C(N)C(=CF)C(=N)NO;BANGCVGGVJXPSX-UHFFFAOYSA-N;146.13;-0.27;;;;;DOPC;MDCG;27;1;"MARTINI bead: P4_Na";;;;;;;-1.19;;-6.56;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM390889;MM390889;COc1nc(=O)n(N)n1N;FWWFETGKSDEYSU-UHFFFAOYSA-N;145.12;-2.52;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP1_SP5";;;;;;;-1.94;;-5.95;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM390890;MM390890;CN=C(N)C(=CN)C(N)=O;GLIPAILTEVEYNT-UHFFFAOYSA-N;142.16;-1.7;;;;;DOPC;MDCG;27;1;"MARTINI bead: P2_P3";;;;;;;-2.2;;-6.7;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM390891;MM390891;COc1nc(=N)n(O)n1N;QORPOOFSDPJUAS-UHFFFAOYSA-N;145.12;-1.88;;;;;DOPC;MDCG;27;1;"MARTINI bead: SP1_SP3";;;;;;;-1.93;;-6.45;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM390892;MM390892;CNN=CN(N)C=CF;ZLISFAPTWHVNJJ-UHFFFAOYSA-N;132.14;-0.23;;;;;DOPC;MDCG;27;0;"MARTINI bead: P3_C5";;;;;;;-0.33;;-2.01;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM390893;MM390893;COC(N)=CC(=O)C(=O)O;FBJUWYQYOZLYCT-UHFFFAOYSA-N;145.11;-0.91;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda_P2";;;;;;;-0.24;;-7.66;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM390894;MM390894;C=C(C)C(=CC)C(=O)NO;TWMCMPWLKABPKU-UHFFFAOYSA-N;141.17;1.01;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1_P4";;;;;;;0.85;;-0.64;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM390895;MM390895;COc1nc(=N)n(C)n1O;LTAPZNVHLRYWLJ-UHFFFAOYSA-N;144.13;-1.05;;;;;DOPC;MDCG;27;1;"MARTINI bead: SP1_SP3";;;;;;;-1.93;;-6.27;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM390896;MM390896;CCOC(C#N)=NNC;PUZLYEMWZFCHIU-UHFFFAOYSA-N;127.15;0.08;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_P2";;;;;;;0.54;;-1.09;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM390897;MM390897;COc1nc(=O)n(C)n1O;GAUWEGPGFLKGAB-UHFFFAOYSA-N;145.12;-1.17;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP1_SP3";;;;;;;-1.93;;-4.72;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM390898;MM390898;CCOC(=NN)N(C)N;DPZSOYIFCVBBMF-UHFFFAOYSA-N;132.17;-0.94;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_P3";;;;;;;-0.33;;-2.01;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM390899;MM390899;CC(=O)C1CN1C;IGIRLPRIMRPZEA-UHFFFAOYSA-N;99.13;-0.11;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP1_Na";;;;;;;0.04;;-2.54;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM390900;MM390900;NNC(=O)C(=CF)C(N)=O;COSVUZGWIWZCLB-UHFFFAOYSA-N;147.11;-1.69;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_P3";;;;;;;-1.93;;-4.72;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM390901;MM390901;OC=C1C=C(CF)N=N1;OZICYDBVZGIWME-UHFFFAOYSA-N;128.11;1.71;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNda_SC5";;;;;;;1.64;;-4.32;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM390902;MM390902;Cn1[nH]nnc(=N)c1=NO;LFCZTHBUOQJMTO-UHFFFAOYSA-N;142.12;-2.09;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP1_SP3";;;;;;;-1.93;;-8.55;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM390903;MM390903;C=C1C=C(C#N)C(C)C1O;NOQVEKNCDKDZPF-UHFFFAOYSA-N;135.17;1;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNda_SC5";;;;;;;1.64;;0.05;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM390904;MM390904;C=C(OC)C(=CF)C(=N)N;PNEYHZBQBHUKQN-UHFFFAOYSA-N;144.15;0.94;;;;;DOPC;MDCG;27;1;"MARTINI bead: C4_P3";;;;;;;0.23;;-3.19;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM390905;MM390905;C=C1C=C(C#N)C(C)C1F;DHMIDKASQWCPIH-UHFFFAOYSA-N;137.16;1.98;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC5_SC5";;;;;;;2.41;;0.64;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM390906;MM390906;CC=C(C(C)=O)C(=O)OC;APFYEWRWAZDBLH-UHFFFAOYSA-N;142.15;0.69;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_C5";;;;;;;0.81;;-0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM390907;MM390907;C=CC1=CC(=N)N(C)C1C;FEOQTCOCPIVXNU-UHFFFAOYSA-N;136.2;1.41;;;;;DOPC;MDCG;27;1;"MARTINI bead: SNd_SP1";;;;;;;0.04;;-6.1;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM390908;MM390908;COC(=O)C(=CF)C(C)=O;CTIXSUHPFHZMHX-UHFFFAOYSA-N;146.12;0.6;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_Na";;;;;;;0.87;;-2.22;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM390909;MM390909;CC1C(C#N)=CC(=N)N1C;VUIGEELYBAJDDQ-UHFFFAOYSA-N;135.17;0.75;;;;;DOPC;MDCG;27;1;"MARTINI bead: SNd_SP1";;;;;;;0.04;;-4.83;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM390910;MM390910;C=C(F)C(=CN)C(=O)OC;KCMVGUIWRLCJLO-UHFFFAOYSA-N;145.13;0.49;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_C5";;;;;;;0.81;;-0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM390911;MM390911;C=CC1=CC(=N)N(N)C1C;HHTAPELKNLWCFU-UHFFFAOYSA-N;137.19;0.65;;;;;DOPC;MDCG;27;1;"MARTINI bead: SP1_SP1";;;;;;;-0.79;;-4.79;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM390912;MM390912;C=C(CF)C(=NN)C(=N)N;COXDMSYVEWXOQC-UHFFFAOYSA-N;144.15;-0.24;;;;;DOPC;MDCG;27;1;"MARTINI bead: P2_Na";;;;;;;-0.24;;-5.05;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM390913;MM390913;C=CC1=CC(=O)N(N)C1C;ZNYOWGOAHBRCSE-UHFFFAOYSA-N;138.17;0.2;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP1_SP1";;;;;;;-0.79;;-3.13;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM390914;MM390914;C=C(CF)C(=NO)C(=N)N;RCHXTAXDJZNPQO-UHFFFAOYSA-N;145.14;0.28;;;;;DOPC;MDCG;27;1;"MARTINI bead: P2_Na";;;;;;;-0.24;;-4.27;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM390915;MM390915;C=Cc1cc(=N)n(C)n1C;HXLJJUVMVAAXFD-UHFFFAOYSA-N;137.19;0.49;;;;;DOPC;MDCG;27;1;"MARTINI bead: SN0_SP2";;;;;;;0.06;;-6.14;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM390916;MM390916;N=CN(C=O)OCC(=O)O;JRPOWVJKLUMEEO-UHFFFAOYSA-N;146.1;-0.93;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_P3";;;;;;;-1.93;;-8.55;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM390917;MM390917;Cn1c(C=O)cc(=N)n1C;ZICHEZVSFDIPOW-UHFFFAOYSA-N;139.16;-0.34;;;;;DOPC;MDCG;27;1;"MARTINI bead: SP1_SP2";;;;;;;-1.06;;-7.17;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM390918;MM390918;C=C(F)C(=NO)C(=C)CO;BRPQCBDSROSXNL-UHFFFAOYSA-N;145.13;0.85;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_C5";;;;;;;0.81;;-0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM390919;MM390919;Cn1c(C#N)cc(=N)n1C;DIUCHZXHUKTLGB-UHFFFAOYSA-N;136.16;-0.29;;;;;DOPC;MDCG;27;1;"MARTINI bead: SP1_SP2";;;;;;;-1.06;;-6.84;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM390920;MM390920;CC(=O)C(=NO)C(=N)NO;XTEFHSRUDCATIQ-UHFFFAOYSA-N;145.12;-0.64;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_P3";;;;;;;-1.1;;-4.2;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM390921;MM390921;C=Cc1cc(=O)n(C)n1C;HNIQOHWLQSXCED-UHFFFAOYSA-N;138.17;0.37;;;;;DOPC;MDCG;27;0;"MARTINI bead: SN0_SP2";;;;;;;0.06;;-2.21;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM390922;MM390922;CNC(=N)C(=NN)C(=N)N;QCISGVNPDDAYSN-UHFFFAOYSA-N;142.17;-1.57;;;;;DOPC;MDCG;27;1;"MARTINI bead: P2_P3";;;;;;;-2.2;;-6.71;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM390923;MM390923;Cn1c(C=O)cc(=O)n1C;JDNFCOQQQHATFN-UHFFFAOYSA-N;140.14;-0.46;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP1_SP2";;;;;;;-1.06;;-3.82;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM390924;MM390924;N=Cn1nc(N)c(=O)o1;VZXPRQANMMEXFA-UHFFFAOYSA-N;128.09;-1.13;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP2_SP3";;;;;;;-2.2;;-5.19;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM390925;MM390925;Cn1c(C#N)cc(=O)n1C;CHNIOIDCFPVQNH-UHFFFAOYSA-N;137.14;-0.4;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP1_SP2";;;;;;;-1.06;;-3.82;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM390926;MM390926;Cn1cc(N)oc1=NN;GMHQSBKXIACTRT-UHFFFAOYSA-N;128.14;-1.03;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP1_SP1";;;;;;;-0.79;;-3.13;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM390927;MM390927;C=Cc1cc(=N)n(N)n1C;ZQEMJSMJOYTCLF-UHFFFAOYSA-N;138.17;-0.34;;;;;DOPC;MDCG;27;1;"MARTINI bead: SN0_SP3";;;;;;;-0.8;;-5;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM390928;MM390928;C#Cc1n[nH]c(O)n1;LZUDQVFNGVFJFH-UHFFFAOYSA-N;109.09;-0.51;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP2_SP1";;;;;;;-1.06;;-7.83;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM390929;MM390929;C=Cc1cc(=O)n(N)n1C;RRBDUOGTYDCMRS-UHFFFAOYSA-N;139.16;-0.46;;;;;DOPC;MDCG;27;0;"MARTINI bead: SN0_SP2";;;;;;;0.06;;-2.21;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM390930;MM390930;C=CC(O)(C=NO)C(=O)O;RJFQQMGPHMPKIV-UHFFFAOYSA-N;145.11;-0.55;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_P1";;;;;;;-0.79;;-7.18;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM390931;MM390931;C=Cc1cc(=N)n(O)n1C;NOSSPMCSIABOOO-UHFFFAOYSA-N;139.16;0.19;;;;;DOPC;MDCG;27;1;"MARTINI bead: SN0_SP2";;;;;;;0.06;;-4.36;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM390932;MM390932;C=C(F)C(=NN)C(=O)NO;PSXYWUMFMIRBPX-UHFFFAOYSA-N;147.11;-0.71;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_P3";;;;;;;-0.33;;-2.01;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM390933;MM390933;Cn1c(C=O)cc(=N)n1O;VPJDDCYOCPLGHN-UHFFFAOYSA-N;141.13;-0.64;;;;;DOPC;MDCG;27;1;"MARTINI bead: SP1_SP2";;;;;;;-1.06;;-5.33;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM390934;MM390934;C=C(C=O)C(=CN)C(C)=O;JUXWJSSUADQHEI-UHFFFAOYSA-N;139.15;0.17;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_Na";;;;;;;-0.24;;-3.24;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM390935;MM390935;Cn1c(C#N)cc(=N)n1O;RULMMTILJFHPIT-UHFFFAOYSA-N;138.13;-0.58;;;;;DOPC;MDCG;27;1;"MARTINI bead: SP1_SP2";;;;;;;-1.06;;-4.98;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM390936;MM390936;C=CC(=C)C(=CC)C(=N)N;BVVUYSCCZFCBBK-UHFFFAOYSA-N;136.2;1.61;;;;;DOPC;MDCG;27;1;"MARTINI bead: P3_C1";;;;;;;0.94;;-3.77;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM390937;MM390937;C=Cc1cc(=N)n(C)n1N;VZIQENBALUOXAP-UHFFFAOYSA-N;138.17;-0.34;;;;;DOPC;MDCG;27;1;"MARTINI bead: SP3_SN0";;;;;;;-0.8;;-6.4;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM390938;MM390938;C=C(C#N)C(=CN)C(=N)N;PBRYBQNHTAUUFC-UHFFFAOYSA-N;136.16;-0.16;;;;;DOPC;MDCG;27;1;"MARTINI bead: P3_N0";;;;;;;-0.8;;-6.31;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM390939;MM390939;C=Cc1cc(=O)n(C)n1N;LJCHBGUGCZPHOA-UHFFFAOYSA-N;139.16;-0.46;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP3_SN0";;;;;;;-0.8;;-2.99;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM390940;MM390940;CNC(=O)C(N)=CC(=O)O;HDOTUPYMQOUDKE-UHFFFAOYSA-N;144.13;-1.34;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_P1";;;;;;;-1.06;;-7.83;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM390941;MM390941;C=Cc1cc(=N)n(N)n1N;SLCYAHYGVUUFKL-UHFFFAOYSA-N;139.16;-1.16;;;;;DOPC;MDCG;27;1;"MARTINI bead: SN0_SP3";;;;;;;-0.8;;-4.7;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM390942;MM390942;C=C(C)C(=CC)C(=O)C#N;SOFJSEJDMIGAOP-UHFFFAOYSA-N;135.17;1.6;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1_P1";;;;;;;2.08;;0.48;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM390943;MM390943;C=Cc1cc(=O)n(N)n1N;SQPWHMDRVFPXLJ-UHFFFAOYSA-N;140.15;-1.28;;;;;DOPC;MDCG;27;0;"MARTINI bead: SN0_SP3";;;;;;;-0.8;;-2.99;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM390944;MM390944;C=CC(=O)C(=CN)C(=C)C;TXKNHTHGOLLGNN-UHFFFAOYSA-N;137.18;1.16;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nd_Na";;;;;;;0.87;;-1.88;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM390945;MM390945;C=Cc1cc(=N)n(O)n1N;QBIRIDGAHXBDKA-UHFFFAOYSA-N;140.15;-0.64;;;;;DOPC;MDCG;27;1;"MARTINI bead: SN0_SP2";;;;;;;0.06;;-4.07;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM390946;MM390946;C=C(C=O)C(=NO)C(N)=O;RQDIGADQOAGMDH-UHFFFAOYSA-N;142.11;-0.94;;;;;DOPC;MDCG;27;0;"MARTINI bead: P3_Nda";;;;;;;-1.1;;-3.97;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM390947;MM390947;C=Cc1cc(=N)n(C)n1O;IQJSPJXMUHEEBX-UHFFFAOYSA-N;139.16;0.19;;;;;DOPC;MDCG;27;1;"MARTINI bead: SP2_SN0";;;;;;;0.06;;-4.44;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM390948;MM390948;N#Cc1c[nH]n(C=N)c1=O;XATAMOYOYSZRRC-UHFFFAOYSA-N;136.11;-0.5;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP3_SP1";;;;;;;-1.93;;-8.55;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM390949;MM390949;Cn1c(=N)cc(C=O)n1O;WFEJDJPBPJZYRT-UHFFFAOYSA-N;141.13;-0.64;;;;;DOPC;MDCG;27;1;"MARTINI bead: SP2_SP1";;;;;;;-1.06;;-5.39;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM390950;MM390950;N=c1ncc(=O)cc(O)o1;FPQBXRSFWOBSHZ-UHFFFAOYSA-N;140.1;-0.78;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP2_SP2";;;;;;;-1.34;;-8.32;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM390951;MM390951;Cn1c(=N)cc(C#N)n1O;RNKUZMSQAAVGOT-UHFFFAOYSA-N;138.13;-0.58;;;;;DOPC;MDCG;27;1;"MARTINI bead: SP2_SP1";;;;;;;-1.06;;-5.03;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM390952;MM390952;Nn1[nH]nc(O)c1=O;HUELVJWSLTXTKE-UHFFFAOYSA-N;116.08;-2.01;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP3_SP2";;;;;;;-2.2;;-9.05;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM390953;MM390953;C=Cc1cc(=O)n(C)n1O;JITIHHGFKSTJJV-UHFFFAOYSA-N;140.14;0.07;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP2_SN0";;;;;;;0.06;;-2.21;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM390954;MM390954;C#CC(=O)C(=CC)C(=C)C;DOGASLQYMJIVEC-UHFFFAOYSA-N;134.18;1.71;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1_P1";;;;;;;2.08;;0.48;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM390955;MM390955;Cn1c(=O)cc(C=O)n1O;RVPYVVLNVHDLSV-UHFFFAOYSA-N;142.11;-0.76;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP2_SP1";;;;;;;-1.06;;-3.82;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM390956;MM390956;C#CC(=O)C(=CC)C(C)=O;DQRDEUWIBYJHOI-UHFFFAOYSA-N;136.15;0.72;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_P1";;;;;;;0.81;;-0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM390957;MM390957;CCC1NC(C)C1=O;AIYUOYIGXUNKIS-UHFFFAOYSA-N;113.16;0.33;;;;;DOPC;MDCG;27;0;"MARTINI bead: SN0_SP2";;;;;;;0.06;;-2.21;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM390958;MM390958;C#CC(=O)C(=CC)C(=N)N;ZZWKZCOAIFMVFA-UHFFFAOYSA-N;136.15;0.07;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_P1";;;;;;;0.04;;-4.77;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM390959;MM390959;CC#Cc1nnc(O)o1;YJZYXRQQWHIFGO-UHFFFAOYSA-N;124.1;0.15;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNa_SP1";;;;;;;0.04;;-6.97;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM390960;MM390960;C#CC(=O)C(=CF)C(N)=O;VFOYDFSRQSVBEP-UHFFFAOYSA-N;141.1;-0.47;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_P2";;;;;;;-0.24;;-3.24;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM390961;MM390961;C=Cc1nnc(O)o1;JVRFZNVNCJEXEW-UHFFFAOYSA-N;112.09;0.42;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP1_SP1";;;;;;;-0.79;;-7.57;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM390962;MM390962;C#CC(=O)C(=CN)C(=C)F;UYXPGEXWCOTQFR-UHFFFAOYSA-N;139.13;0.51;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_C5";;;;;;;0.81;;-0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM390963;MM390963;CC=C(C(C)=NN)C(C)C;QJNWIHRTAYDSPM-UHFFFAOYSA-N;140.23;1.92;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1_Nd";;;;;;;2.91;;0.63;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM390964;MM390964;NN=c1oc(O)c(CF)o1;UKGGSZQUSXRXLZ-UHFFFAOYSA-N;148.09;-0.18;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP2_Na";;;;;;;-0.24;;-7.62;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM390965;MM390965;Cn1cc(F)oc1=NN;QCBXAOSJUPOUQZ-UHFFFAOYSA-N;131.11;-0.47;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNa_SP1";;;;;;;0.04;;-2.54;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM390966;MM390966;C=Cc1nc(=N)n(C)n1C;YCDQQCAELQMFMI-UHFFFAOYSA-N;138.17;-0.12;;;;;DOPC;MDCG;27;1;"MARTINI bead: SNa_SP3";;;;;;;-1.1;;-8.37;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM390967;MM390967;Cn1c(F)coc1=NN;ZZSIZNINOYFKRF-UHFFFAOYSA-N;131.11;-0.47;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNa_SP1";;;;;;;0.04;;-2.54;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM390968;MM390968;Cn1c(C=O)nc(=N)n1C;VLHRHQGGBONSDX-UHFFFAOYSA-N;140.15;-0.95;;;;;DOPC;MDCG;27;1;"MARTINI bead: SP2_SP3";;;;;;;-2.2;;-8.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM390969;MM390969;CC(=NN)C(=CF)C(C)C;RUHGTESSXPMLGG-UHFFFAOYSA-N;144.19;1.83;;;;;DOPC;MDCG;27;0;"MARTINI bead: C3_Nd";;;;;;;2.57;;0.53;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM390970;MM390970;Cn1c(C#N)nc(=N)n1C;XTPFVWQYZUBKHX-UHFFFAOYSA-N;137.15;-0.89;;;;;DOPC;MDCG;27;1;"MARTINI bead: SP1_SP3";;;;;;;-1.93;;-7.8;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM390971;MM390971;CC(=NO)C(=CF)C(C)C;MPJQTHGFZOLXOK-UHFFFAOYSA-N;145.18;2.35;;;;;DOPC;MDCG;27;0;"MARTINI bead: C3_P1";;;;;;;1.74;;0.29;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM390972;MM390972;C=Cc1nc(=O)n(C)n1C;NNLZSTQVJYAKNA-UHFFFAOYSA-N;139.16;-0.24;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNa_SP2";;;;;;;-0.24;;-3.24;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM390973;MM390973;CC=C(C(C)=NO)C(C)N;WYXNSVOMZBPURI-UHFFFAOYSA-N;142.2;1.13;;;;;DOPC;MDCG;27;1;"MARTINI bead: C5_P1";;;;;;;0.81;;-2.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM390974;MM390974;Cn1c(C=O)nc(=O)n1C;IKNUPAYURQGARA-UHFFFAOYSA-N;141.13;-1.07;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP2_SP2";;;;;;;-1.34;;-4.31;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM390975;MM390975;C=Cc1nnn(N=C)c1O;XXNDLPAPNKYXPH-UHFFFAOYSA-N;138.13;0.09;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP1_SP2";;;;;;;-1.06;;-7.83;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM390976;MM390976;Cn1c(C#N)nc(=O)n1C;GSEXKVDSNKJLEQ-UHFFFAOYSA-N;138.13;-1.01;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP1_SP2";;;;;;;-1.06;;-3.82;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM390977;MM390977;CCN(N)C(=NN)OC;JOJJKMOIOQIYFQ-UHFFFAOYSA-N;132.17;-0.94;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_P3";;;;;;;-0.33;;-2.01;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM390978;MM390978;C=Cc1nc(=N)n(N)n1C;CKELCYUAPSBLQT-UHFFFAOYSA-N;139.16;-0.94;;;;;DOPC;MDCG;27;1;"MARTINI bead: SNa_SP3";;;;;;;-1.1;;-7.73;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM390979;MM390979;CC=CC=CC(=O)C(=O)O;HBPWRBZUGCJWKF-UHFFFAOYSA-N;140.14;0.77;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1_P2";;;;;;;1.8;;-2.89;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM390980;MM390980;C=Cc1nc(=O)n(N)n1C;OQONDAPAZUUSNT-UHFFFAOYSA-N;140.15;-1.06;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNa_SP3";;;;;;;-1.1;;-4.2;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM390981;MM390981;CC(=CN)C(=NN)N(C)C;TUEWBYGXNACPDY-UHFFFAOYSA-N;142.21;-0.32;;;;;DOPC;MDCG;27;1;"MARTINI bead: P2_Nd";;;;;;;-0.24;;-5.17;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM390982;MM390982;C=Cc1nc(=N)n(O)n1C;FWXGTWCTKDGACP-UHFFFAOYSA-N;140.15;-0.42;;;;;DOPC;MDCG;27;1;"MARTINI bead: SNa_SP3";;;;;;;-1.1;;-7.74;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM390983;MM390983;CCNNC(=NN)OC;QNSVHHCDRLZSTI-UHFFFAOYSA-N;132.17;-1.02;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_P1";;;;;;;-0.79;;-3.13;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM390984;MM390984;Cn1c(C=O)nc(=N)n1O;DNGJFCWWAVRDLI-UHFFFAOYSA-N;142.12;-1.25;;;;;DOPC;MDCG;27;1;"MARTINI bead: SP2_SP3";;;;;;;-2.2;;-6.75;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM390985;MM390985;NN=C(NN)OCCF;UXNPUUZXWKICIB-UHFFFAOYSA-N;136.13;-1.33;;;;;DOPC;MDCG;27;0;"MARTINI bead: P3_Na";;;;;;;-1.1;;-4.2;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM390986;MM390986;Cn1c(C#N)nc(=N)n1O;JXTACMCGNHQFFI-UHFFFAOYSA-N;139.12;-1.19;;;;;DOPC;MDCG;27;1;"MARTINI bead: SP1_SP3";;;;;;;-1.93;;-5.99;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM390987;MM390987;NN=C1NC(=CF)CO1;FEAUJMZUNGLOGV-UHFFFAOYSA-N;131.11;-0.35;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP2_SP1";;;;;;;-1.06;;-3.82;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM390988;MM390988;NN=C(OCCO)C(=O)O;WMWDPWUTNJOYCL-UHFFFAOYSA-N;148.12;-1.65;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_P1";;;;;;;-1.06;;-8.18;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM390989;MM390989;CNc1c[nH]c(CF)c1;CFFRBNRCGNZFIS-UHFFFAOYSA-N;128.15;1.53;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNd_SNda";;;;;;;0.87;;-1.92;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM390990;MM390990;CCc1nnc(O)o1;FOOOCOAXYKESPO-UHFFFAOYSA-N;114.1;0.34;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNa_SP1";;;;;;;0.04;;-6.97;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM390991;MM390991;NN=C(NN)OC1CC1;XIRJCRZKSWIMEO-UHFFFAOYSA-N;130.15;-1.14;;;;;DOPC;MDCG;27;0;"MARTINI bead: P3_SC5";;;;;;;-0.33;;-2.01;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM390992;MM390992;C=Cc1nc(=N)n(C)n1N;BSPZCZKTLGXTSH-UHFFFAOYSA-N;139.16;-0.94;;;;;DOPC;MDCG;27;1;"MARTINI bead: SP3_SNa";;;;;;;-1.1;;-8.3;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM390993;MM390993;CC(=NN)C(=NO)N(C)O;DEIMDESBDNFCSA-UHFFFAOYSA-N;146.15;-0.57;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_Nd";;;;;;;-0.24;;-3.16;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM390994;MM390994;C=Cc1nc(=O)n(C)n1N;CWKOMKHTKDZNOR-UHFFFAOYSA-N;140.15;-1.06;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP3_SNa";;;;;;;-1.1;;-4.2;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM390995;MM390995;CC=C(C(C)=O)C(C)=CF;QILOQSIIUCYXRE-UHFFFAOYSA-N;142.17;2.4;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_C1";;;;;;;2.91;;0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM390996;MM390996;C=Cc1nc(=N)n(N)n1N;LRDGRNATPPUFRZ-UHFFFAOYSA-N;140.15;-1.77;;;;;DOPC;MDCG;27;1;"MARTINI bead: SNa_SP3";;;;;;;-1.1;;-7.31;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM390997;MM390997;CC=C(C)C(=CN)C(C)=O;VFZFGGCBLGGOJP-UHFFFAOYSA-N;139.2;1.38;;;;;DOPC;MDCG;27;0;"MARTINI bead: C2_P2";;;;;;;1.72;;0.27;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM390998;MM390998;C=Cc1nc(=O)n(N)n1N;VIDXTSMTXDSGTC-UHFFFAOYSA-N;141.13;-1.88;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNa_SP5";;;;;;;-1.11;;-5.49;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM390999;MM390999;CC=C(C)C(=CN)C(=N)N;IMTIVTVKDGNNLF-UHFFFAOYSA-N;139.2;0.73;;;;;DOPC;MDCG;27;1;"MARTINI bead: C4_P3";;;;;;;0.23;;-5.03;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM391000;MM391000;C=Cc1nc(=N)n(O)n1N;YRQOTIXTTDUEOS-UHFFFAOYSA-N;141.13;-1.24;;;;;DOPC;MDCG;27;1;"MARTINI bead: SNa_SP3";;;;;;;-1.1;;-7.34;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM391001;MM391001;CC#CC1(C)CC(C)(O)C1;RPQBWFBAFMOOEW-UHFFFAOYSA-N;138.21;1.56;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC2_SNda";;;;;;;2.83;;0.57;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM391002;MM391002;Nn1oc(F)c(O)c1=O;LBYHZERIUPOWDI-UHFFFAOYSA-N;134.07;-1;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNa_SP2";;;;;;;-0.24;;-7.62;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM391003;MM391003;CC=C(F)C(=CN)C(C)=O;WMVXUXGTEPVUPR-UHFFFAOYSA-N;143.16;1.29;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4_P2";;;;;;;1.09;;-0.38;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM391004;MM391004;C=Cc1nc(=N)n(C)n1O;SHGBLPXOLFRVIX-UHFFFAOYSA-N;140.15;-0.42;;;;;DOPC;MDCG;27;1;"MARTINI bead: SP3_SNa";;;;;;;-1.1;;-7.24;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM391005;MM391005;CC(=O)C(=CN)C(F)=CF;UDAJPWOYSGVWHC-UHFFFAOYSA-N;147.12;1.2;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_C5";;;;;;;0.54;;-1.09;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM391006;MM391006;C=Cc1nc(=O)n(C)n1O;KKRHLEYWDQYPQM-UHFFFAOYSA-N;141.13;-0.54;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP3_SNa";;;;;;;-1.1;;-4.2;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM391007;MM391007;C=C(C)C(=CC)C(C)=NN;FAEGPXAXHKIZFV-UHFFFAOYSA-N;138.21;1.84;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1_Nd";;;;;;;2.91;;0.63;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM391008;MM391008;Cn1c(=O)nc(C=O)n1O;KYQQXUNXTIQCFP-UHFFFAOYSA-N;143.1;-1.37;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP3_SP2";;;;;;;-2.2;;-5.19;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM391009;MM391009;CC(=NN)C(=CN)C(=N)N;IHDVMRVDVNAKBB-UHFFFAOYSA-N;141.18;-0.9;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_P3";;;;;;;-1.1;;-7.14;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM391010;MM391010;Cn1c(=O)nc(C#N)n1O;AQWRCPSBSIFXQK-UHFFFAOYSA-N;140.1;-1.31;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP3_SP1";;;;;;;-1.93;;-4.72;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM391011;MM391011;CC(C)(C)OC(=NN)NN;OKKVWHOFRDLIMA-UHFFFAOYSA-N;146.19;-0.51;;;;;DOPC;MDCG;27;0;"MARTINI bead: C3_P3";;;;;;;0.6;;-0.8;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM391012;MM391012;C=Cc1nc(=N)n(N)n1O;FIHOBQOLZNHUSA-UHFFFAOYSA-N;141.13;-1.24;;;;;DOPC;MDCG;27;1;"MARTINI bead: SP3_SNa";;;;;;;-1.1;;-5.68;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM391013;MM391013;CC(=O)C(=NO)C(C)=CN;IFLCHHOISTUDIF-UHFFFAOYSA-N;142.16;0.27;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_Nd";;;;;;;-0.24;;-3.16;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM391014;MM391014;O=CC=NNC1CC1;FRUQZMDPKKVHMA-UHFFFAOYSA-N;112.13;-0.08;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_SC5";;;;;;;0.81;;-0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM391015;MM391015;CC(=CN)C(=NN)C(=N)N;CXGBDGJPHBADQT-UHFFFAOYSA-N;141.18;-0.9;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_P3";;;;;;;-1.1;;-5.79;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM391016;MM391016;C=Cc1nc(=N)n(O)n1O;LLAGOUIKWMFFJT-UHFFFAOYSA-N;142.12;-0.72;;;;;DOPC;MDCG;27;1;"MARTINI bead: SNa_SP2";;;;;;;-0.24;;-4.72;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM391017;MM391017;O=c1[nH]c(O)c(F)o1;IMUIFWMYVUFLHC-UHFFFAOYSA-N;119.05;-0.19;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP2_SNda";;;;;;;-0.24;;-7.33;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM391018;MM391018;NN=c1cnon1N;QOZIGMDRENEPII-UHFFFAOYSA-N;115.1;-2.04;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP2_SP1";;;;;;;-1.06;;-3.82;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM391019;MM391019;O=c1[nH]c(O)c(O)o1;XLLFKDOEVVTMJR-UHFFFAOYSA-N;117.06;-0.62;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP2_SP1";;;;;;;-1.06;;-7.84;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM391020;MM391020;Nc1oc(=O)oc1C(=O)O;GURBHZLRNUUPSV-UHFFFAOYSA-N;145.07;-0.49;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP3_P1";;;;;;;-1.93;;-8.79;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM391021;MM391021;C=C(C(C)C)C(C)(C)CO;JBYUVNQKFWGGKJ-UHFFFAOYSA-N;142.24;2.22;;;;;DOPC;MDCG;27;0;"MARTINI bead: C2_Nda";;;;;;;2.83;;0.57;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM391022;MM391022;O=C(O)COC=C(F)F;RYQOSIHUCGHEKQ-UHFFFAOYSA-N;138.07;0.83;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_C5";;;;;;;0.81;;-4.91;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM391023;MM391023;NN=C(C(N)=O)C(F)=CF;CJJCUFCAMPCZQY-UHFFFAOYSA-N;149.1;-0.43;;;;;DOPC;MDCG;27;0;"MARTINI bead: P3_C5";;;;;;;-0.33;;-2.01;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM391024;MM391024;C#CC1=CC(=C)C(C)C1C;XMZACQHUJOHMIY-UHFFFAOYSA-N;132.21;2.39;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC3_SC4";;;;;;;3.9;;0.47;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM391025;MM391025;N=CC(F)=C(NO)C(N)=O;XWWIXVSZRRHWCH-UHFFFAOYSA-N;147.11;-0.72;;;;;DOPC;MDCG;27;1;"MARTINI bead: P2_P2";;;;;;;-1.34;;-5.32;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM391026;MM391026;C#CC1=CC(=C)C(N)C1C;JUALKTUXQAILKZ-UHFFFAOYSA-N;133.19;1.08;;;;;DOPC;MDCG;27;1;"MARTINI bead: SNd_SC4";;;;;;;2.2;;-1.86;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM391027;MM391027;CC(C)C(=O)C=CC(=O)O;TZKNMZPMBZQSMV-UHFFFAOYSA-N;142.15;0.85;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_Nda";;;;;;;0.87;;-6.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM391028;MM391028;NC=CC(=O)C1CN1;JKHVCYJSGOBMLU-UHFFFAOYSA-N;112.13;-1;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_SP2";;;;;;;-1.34;;-4.31;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM391029;MM391029;CCCC(=O)C=CC(=O)O;LUXOYEZTEWTGMD-UHFFFAOYSA-N;142.15;1;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_Nda";;;;;;;1.64;;-3.94;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM391030;MM391030;C#CC1=CC(=N)N(C)C1C;AIRNTJCYFOEYPM-UHFFFAOYSA-N;134.18;0.86;;;;;DOPC;MDCG;27;1;"MARTINI bead: SNd_SP1";;;;;;;0.04;;-5.48;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM391031;MM391031;C#CC1=CC(=O)N(C)C1C;NCINPPUAUFFQTO-UHFFFAOYSA-N;135.17;0.41;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNda_SP1";;;;;;;0.04;;-2.73;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM391032;MM391032;O=C(O)C1CO1;OTGHWLKHGCENJV-UHFFFAOYSA-N;88.06;-0.53;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_SP1";;;;;;;-0.79;;-7.19;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM391033;MM391033;C#CC1=CC(=N)N(N)C1C;DMKYYDJMPBITHZ-UHFFFAOYSA-N;135.17;0.1;;;;;DOPC;MDCG;27;1;"MARTINI bead: SP1_SP1";;;;;;;-0.79;;-4.14;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM391034;MM391034;CC(C)=C(CN)C(C)CF;GOWOEJMFWWDJNI-UHFFFAOYSA-N;145.22;1.89;;;;;DOPC;MDCG;27;1;"MARTINI bead: Na_C4";;;;;;;2.2;;-1.5;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM391035;MM391035;C#CC1=CC(=O)N(N)C1C;KLDKZRHQJHODLK-UHFFFAOYSA-N;136.15;-0.35;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP1_SP1";;;;;;;-0.79;;-3.13;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM391036;MM391036;CCC(=C(C)F)C(C)CN;SSGGEKFHKWIQLU-UHFFFAOYSA-N;145.22;2.23;;;;;DOPC;MDCG;27;1;"MARTINI bead: C1_P2";;;;;;;1.8;;-1.64;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM391037;MM391037;C#Cc1cc(=N)n(C)n1C;ZYSDUECNFSIYJB-UHFFFAOYSA-N;135.17;-0.18;;;;;DOPC;MDCG;27;1;"MARTINI bead: SP1_SP2";;;;;;;-1.06;;-7.28;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM391038;MM391038;CCC(C)C(CN)=C(C)F;CUKNLNNWBLBUOC-UHFFFAOYSA-N;145.22;2.23;;;;;DOPC;MDCG;27;1;"MARTINI bead: C5_Nda";;;;;;;1.64;;-2.02;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM391039;MM391039;C#Cc1cc(=O)n(C)n1C;DRXDOOOZEIMZJG-UHFFFAOYSA-N;136.15;-0.29;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP1_SP2";;;;;;;-1.06;;-3.82;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM391040;MM391040;CC(F)=C(CN)C(C)CF;TYNFQOZPSGOTLI-UHFFFAOYSA-N;149.18;1.79;;;;;DOPC;MDCG;27;1;"MARTINI bead: Na_Nda";;;;;;;0.87;;-4.14;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM391041;MM391041;C#Cc1cc(=N)n(N)n1C;UIDAGIDYYGJJTA-UHFFFAOYSA-N;136.16;-1;;;;;DOPC;MDCG;27;1;"MARTINI bead: SP1_SP3";;;;;;;-1.93;;-6.22;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM391042;MM391042;CC(F)=C(CF)C(C)CN;QCGJWFGNAPRGQL-UHFFFAOYSA-N;149.18;1.79;;;;;DOPC;MDCG;27;1;"MARTINI bead: P2_C2";;;;;;;1.72;;-2.04;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM391043;MM391043;C#Cc1cc(=O)n(N)n1C;VHBGESHSTDMXEB-UHFFFAOYSA-N;137.14;-1.12;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP1_SP2";;;;;;;-1.06;;-3.82;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM391044;MM391044;CC(F)=C(CF)C(C)CF;ZNCGGZAZWMWLLC-UHFFFAOYSA-N;152.16;2.81;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4_C5";;;;;;;2.97;;0.45;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM391045;MM391045;C#Cc1cc(=N)n(O)n1C;BSJWQZNWDQIQGF-UHFFFAOYSA-N;137.14;-0.48;;;;;DOPC;MDCG;27;1;"MARTINI bead: SP1_SP2";;;;;;;-1.06;;-5.46;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM391046;MM391046;CCC(C)C(CN)=C(F)F;HFLOZRQDHGOLOD-UHFFFAOYSA-N;149.18;2.14;;;;;DOPC;MDCG;27;1;"MARTINI bead: C5_C5";;;;;;;2.41;;0.16;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM391047;MM391047;C#Cc1cc(=N)n(C)n1N;JSSSKEOACWMMAV-UHFFFAOYSA-N;136.16;-1;;;;;DOPC;MDCG;27;1;"MARTINI bead: SP3_SP1";;;;;;;-1.93;;-7.69;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM391048;MM391048;CC(CF)C(CN)=C(F)F;ZUCVNFORCPWBHS-UHFFFAOYSA-N;153.15;1.7;;;;;DOPC;MDCG;27;1;"MARTINI bead: Na_C5";;;;;;;1.64;;-2.01;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM391049;MM391049;C#Cc1cc(=O)n(C)n1N;LZXSAVXQYCYOOX-UHFFFAOYSA-N;137.14;-1.12;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP3_SP1";;;;;;;-1.93;;-4.72;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM391050;MM391050;CC(C)=C(CN)C(N)CN;NYDBLHRHYCHLIB-UHFFFAOYSA-N;143.23;-0.43;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1_P2";;;;;;;-1.06;;-6.09;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM391051;MM391051;C#Cc1cc(=N)n(N)n1N;GLLBJMQCXSNYDT-UHFFFAOYSA-N;137.15;-1.82;;;;;DOPC;MDCG;27;1;"MARTINI bead: SP1_SP3";;;;;;;-1.93;;-5.92;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM391052;MM391052;CC(C)=C(CN)C(N)CF;WVLIFPWPAKMBGD-UHFFFAOYSA-N;146.21;0.58;;;;;DOPC;MDCG;27;1;"MARTINI bead: P2_Na";;;;;;;-0.24;;-5.16;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM391053;MM391053;C#Cc1cc(=O)n(N)n1N;WWHSNQUMVBUJPE-UHFFFAOYSA-N;138.13;-1.94;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP1_SP3";;;;;;;-1.93;;-4.72;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM391054;MM391054;CC(C)=C(CF)C(N)CN;ZUJRDHAIYAGYQF-UHFFFAOYSA-N;146.21;0.58;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nda_P2";;;;;;;-0.24;;-5.42;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM391055;MM391055;C#Cc1cc(=N)n(O)n1N;PWKLHLRFFLXOIL-UHFFFAOYSA-N;138.13;-1.3;;;;;DOPC;MDCG;27;1;"MARTINI bead: SP1_SP2";;;;;;;-1.06;;-5.16;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM391056;MM391056;CC(C)=C(CF)C(N)CF;MMYPVEPBXUWQSJ-UHFFFAOYSA-N;149.18;1.59;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nda_Na";;;;;;;0.87;;-3.14;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM391057;MM391057;C#Cc1cc(=N)n(C)n1O;DAMWMIOQXUZFTG-UHFFFAOYSA-N;137.14;-0.48;;;;;DOPC;MDCG;27;1;"MARTINI bead: SP2_SP1";;;;;;;-1.06;;-5.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM391058;MM391058;CC(F)=C(CF)C(N)CF;DALQQKOGKZPFDE-UHFFFAOYSA-N;153.15;1.5;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nda_Na";;;;;;;0.87;;-3.05;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM391059;MM391059;C#Cc1cc(=O)n(C)n1O;CRTQNPKZXPDIQM-UHFFFAOYSA-N;138.13;-0.59;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP2_SP1";;;;;;;-1.06;;-3.82;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM391060;MM391060;CCC(=C(F)F)C(N)CC;UQEFIWNOHYYION-UHFFFAOYSA-N;149.18;2.28;;;;;DOPC;MDCG;27;1;"MARTINI bead: C5_C5";;;;;;;2.41;;-0.07;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM391061;MM391061;C=C(C)CC(C)C(C)O;FJNRIEVKMCNHNO-UHFFFAOYSA-N;128.22;1.97;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda_C4";;;;;;;2.2;;0.49;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM391062;MM391062;CCC(=C(F)F)C(N)CN;DKMRDDUTNXCIKM-UHFFFAOYSA-N;150.17;0.83;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1_N0";;;;;;;0.34;;-3.62;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM391063;MM391063;COC(C)(OC=O)C(=O)O;CZDWJBLZOZWYGY-UHFFFAOYSA-N;148.11;-0.39;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_P1";;;;;;;0.04;;-6.98;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM391064;MM391064;CCC(=C(F)F)C(N)CF;LREFWKBOSTVZTQ-UHFFFAOYSA-N;153.15;1.84;;;;;DOPC;MDCG;27;1;"MARTINI bead: C5_Na";;;;;;;1.64;;-1.01;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM391065;MM391065;C#Cc1nc(=N)n(C)n1C;GZTVSTMVOBTUCC-UHFFFAOYSA-N;136.16;-0.78;;;;;DOPC;MDCG;27;1;"MARTINI bead: SP1_SP3";;;;;;;-1.93;;-8.76;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM391066;MM391066;CCC(=C(C)C)C(O)CO;VBEMYSMAIGLACK-UHFFFAOYSA-N;144.21;1.09;;;;;DOPC;MDCG;27;0;"MARTINI bead: P3_C1";;;;;;;0.94;;0.03;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM391067;MM391067;CC(C)=C(CO)C(O)CO;NHITXJCHKQNNAE-UHFFFAOYSA-N;146.19;-0.33;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda_P3";;;;;;;-1.1;;-3.97;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM391068;MM391068;C#Cc1nc(=O)n(C)n1C;GBMKZWLEGQJNQH-UHFFFAOYSA-N;137.14;-0.9;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP1_SP2";;;;;;;-1.06;;-3.82;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM391069;MM391069;C#Cc1nc(=N)n(N)n1C;NUIZDGSOGAYQSI-UHFFFAOYSA-N;137.15;-1.6;;;;;DOPC;MDCG;27;1;"MARTINI bead: SP1_SP3";;;;;;;-1.93;;-7.57;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM391070;MM391070;CC(F)=C(CO)C(O)CN;HMMTZLXJRBAKDV-UHFFFAOYSA-N;149.17;-0.46;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nda_P3";;;;;;;-1.1;;-5.78;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM391071;MM391071;C#Cc1nc(=O)n(N)n1C;NZMKWDTZHDTCTF-UHFFFAOYSA-N;138.13;-1.72;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP1_SP3";;;;;;;-1.93;;-4.72;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM391072;MM391072;OCC(O)C(CF)=C(F)F;QTVMCORVPLPGDU-UHFFFAOYSA-N;156.1;0.46;;;;;DOPC;MDCG;27;0;"MARTINI bead: P3_C4";;;;;;;0.23;;-1.03;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM391073;MM391073;C#Cc1nc(=N)n(O)n1C;HSNCDWORRUPGSG-UHFFFAOYSA-N;138.13;-1.08;;;;;DOPC;MDCG;27;1;"MARTINI bead: SP1_SP3";;;;;;;-1.93;;-7.58;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM391074;MM391074;CCC(F)C(CN)=C(C)C;HUICNXVJMQDOQT-UHFFFAOYSA-N;145.22;2.03;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nda_C3";;;;;;;2.57;;-1.05;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM391075;MM391075;O=c1[nH]on(O)c1=NO;NZHMEYFCDLIMRP-UHFFFAOYSA-N;133.06;-1.7;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP3_SP2";;;;;;;-2.2;;-9.3;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM391076;MM391076;CC(C)=C(CN)C(F)CN;POXGEAUEFIVAKN-UHFFFAOYSA-N;146.21;0.58;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nda_P2";;;;;;;-0.24;;-5.53;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM391077;MM391077;C#Cc1nc(=N)n(C)n1N;BEVJIFGPPIQZFF-UHFFFAOYSA-N;137.15;-1.6;;;;;DOPC;MDCG;27;1;"MARTINI bead: SP3_SP1";;;;;;;-1.93;;-8.5;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM391078;MM391078;CC(C)=C(CN)C(F)CF;FGJYSGOASGWFGE-UHFFFAOYSA-N;149.18;1.59;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nda_Na";;;;;;;0.87;;-4.14;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM391079;MM391079;C#Cc1nc(=O)n(C)n1N;VUTAETKNJGAYCN-UHFFFAOYSA-N;138.13;-1.72;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP3_SP1";;;;;;;-1.93;;-4.72;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM391080;MM391080;CCC(F)C(CF)=C(C)C;QEBCRWMZMGDYOU-UHFFFAOYSA-N;148.2;3.04;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4_C4";;;;;;;3.53;;0.53;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM391081;MM391081;C#Cc1nc(=N)n(N)n1N;XHTVQACPZJUART-UHFFFAOYSA-N;138.13;-2.43;;;;;DOPC;MDCG;27;1;"MARTINI bead: SP1_SP3";;;;;;;-1.93;;-7.1;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM391082;MM391082;CC(C)=C(CF)C(F)CN;PWGDDBXQFLLVEK-UHFFFAOYSA-N;149.18;1.59;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nda_Na";;;;;;;0.87;;-3.43;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM391083;MM391083;C#Cc1nc(=O)n(N)n1N;MRLNJUCWXYMKCF-UHFFFAOYSA-N;139.12;-2.55;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP1_SP5";;;;;;;-1.94;;-5.95;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM391084;MM391084;CCC(F)C(CN)=C(C)F;FMDMWMWXFRCBJP-UHFFFAOYSA-N;149.18;1.94;;;;;DOPC;MDCG;27;1;"MARTINI bead: C5_Nda";;;;;;;1.64;;-1.94;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM391085;MM391085;C#Cc1nc(=N)n(O)n1N;STALXUADLQLASY-UHFFFAOYSA-N;139.12;-1.9;;;;;DOPC;MDCG;27;1;"MARTINI bead: SP1_SP3";;;;;;;-1.93;;-7.12;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM391086;MM391086;CC(F)=C(CN)C(F)CN;LWGTWBLDLUIKIT-UHFFFAOYSA-N;150.17;0.49;;;;;DOPC;MDCG;27;1;"MARTINI bead: C5_P3";;;;;;;-0.33;;-4.14;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM391087;MM391087;O=C(O)C(=O)CCO;PUWWONYMIXRVQF-UHFFFAOYSA-N;118.09;-0.98;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_P2";;;;;;;-1.06;;-8.19;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM391088;MM391088;CC(F)=C(CN)C(F)CF;NECDTNHZLBOCOQ-UHFFFAOYSA-N;153.15;1.5;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nda_Na";;;;;;;0.87;;-4.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM391089;MM391089;C#Cc1nc(=N)n(C)n1O;LIEIKWWNILCPSU-UHFFFAOYSA-N;138.13;-1.08;;;;;DOPC;MDCG;27;1;"MARTINI bead: SP3_SP1";;;;;;;-1.93;;-6.99;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM391090;MM391090;CC(F)=C(CO)C(F)CN;UXFZJMFUZRSGNQ-UHFFFAOYSA-N;151.16;0.52;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nda_P2";;;;;;;-0.24;;-4.45;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM391091;MM391091;C#Cc1nc(=O)n(C)n1O;PZNRFSKCHPMDNQ-UHFFFAOYSA-N;139.11;-1.2;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP3_SP1";;;;;;;-1.93;;-4.72;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM391092;MM391092;CCC(=C(F)F)C(F)CN;YHEAQDYJEJGRID-UHFFFAOYSA-N;153.15;1.84;;;;;DOPC;MDCG;27;1;"MARTINI bead: P2_C1";;;;;;;1.8;;-0.37;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM391093;MM391093;C=CC(=C)C(C)(C)CO;IDNDFAPVDFSZHX-UHFFFAOYSA-N;126.2;1.75;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda_C4";;;;;;;2.2;;0.49;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM391094;MM391094;NCC(F)C(CF)=C(F)F;JYBQDEKCBWNTTJ-UHFFFAOYSA-N;157.11;1.4;;;;;DOPC;MDCG;27;1;"MARTINI bead: P2_C4";;;;;;;1.09;;-1.78;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM391095;MM391095;NN=C(C=C(F)F)C(=O)O;UGFORAIYJWPTJZ-UHFFFAOYSA-N;150.08;0.17;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_N0";;;;;;;0.34;;-5.97;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM391096;MM391096;CCC(=C(C)C)C(C)NC;YXLJHLAJGCPSBV-UHFFFAOYSA-N;141.26;2.34;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_C1";;;;;;;2.91;;-0.32;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM391097;MM391097;C=C1C(C)C=C(CC)C1C;PQNVLUDCGICWAI-UHFFFAOYSA-N;136.24;3.16;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC1_SC4";;;;;;;4.24;;0.42;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM391098;MM391098;CCC(=C(C)F)C(C)NC;IPQUDQJCLKBANO-UHFFFAOYSA-N;145.22;2.25;;;;;DOPC;MDCG;27;1;"MARTINI bead: C5_Nda";;;;;;;1.64;;-1.97;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM391099;MM391099;C=C1C(C)C=C(CN)C1C;KZQSNXMOVLXXNH-UHFFFAOYSA-N;137.23;1.71;;;;;DOPC;MDCG;27;1;"MARTINI bead: SC4_SC4";;;;;;;3.53;;0.69;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM391100;MM391100;CNC(C)C(CF)=C(C)F;PJGOPHZJGMZUQV-UHFFFAOYSA-N;149.18;1.81;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nda_Na";;;;;;;0.87;;-3.74;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM391101;MM391101;C#CC(=O)C1NC1(C)C;VVGXGLGCNFHJBF-UHFFFAOYSA-N;123.16;-0.06;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNd_P1";;;;;;;0.04;;-2.63;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM391102;MM391102;CCC(=C(F)F)C(C)NC;BTRBYUFDGASQRB-UHFFFAOYSA-N;149.18;2.15;;;;;DOPC;MDCG;27;1;"MARTINI bead: C1_P2";;;;;;;1.8;;-0.5;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM391103;MM391103;C=C1C(N)C=C(CC)C1C;JKEXZFUTUCKVFV-UHFFFAOYSA-N;137.23;1.86;;;;;DOPC;MDCG;27;1;"MARTINI bead: SC1_SNd";;;;;;;2.91;;0.16;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM391104;MM391104;CNC(C)C(CF)=C(F)F;YXNKAEYUKVMDHL-UHFFFAOYSA-N;153.15;1.71;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nda_N0";;;;;;;1.17;;-2.39;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM391105;MM391105;C=C1C(N)C=C(CN)C1C;NDPVTCHXTSZXQV-UHFFFAOYSA-N;138.21;0.4;;;;;DOPC;MDCG;27;1;"MARTINI bead: SNd_SC4";;;;;;;2.2;;-1.82;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM391106;MM391106;COC(C)C(CO)=C(C)F;AQAVKFBOFZBGKZ-UHFFFAOYSA-N;148.18;1.26;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_Nda";;;;;;;0.87;;-1.99;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM391107;MM391107;CC#CC(=O)C=NNC;NSDICHBWJXMKEE-UHFFFAOYSA-N;124.14;-0.22;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_C5";;;;;;;0.54;;-1.09;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM391108;MM391108;COC(=C(C)C)C(C)CN;WSXMETPSACWCFA-UHFFFAOYSA-N;143.23;1.52;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_C4";;;;;;;2.2;;-2.12;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM391109;MM391109;CCC1=CC(C)C(=O)C1C;FLTFZTNTGRNCBT-UHFFFAOYSA-N;138.21;2.18;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC2_SNa";;;;;;;2.83;;0.35;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM391110;MM391110;COC(=C(C)C)C(C)CO;DVPYMZQFTHPTPS-UHFFFAOYSA-N;144.21;1.56;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda_C4";;;;;;;2.2;;0.49;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM391111;MM391111;CC1C=C(CO)C(C)C1=O;XYERDQHGPPBQMY-UHFFFAOYSA-N;140.18;0.76;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNda_SNa";;;;;;;0.87;;-1.99;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM391112;MM391112;COC(=C(C)F)C(N)CO;KBYIZRKEFRTKAV-UHFFFAOYSA-N;149.17;0.15;;;;;DOPC;MDCG;27;1;"MARTINI bead: P3_C5";;;;;;;-0.33;;-3.05;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM391113;MM391113;CCC1=CC(O)C(=O)C1C;CITRQWANHWZKJO-UHFFFAOYSA-N;140.18;0.9;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC2_SP1";;;;;;;2;;0.29;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM391114;MM391114;COC(=C(F)F)C(N)CN;HSNXXEFEWYELKK-UHFFFAOYSA-N;152.14;0.03;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nda_P2";;;;;;;-0.24;;-5.21;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM391115;MM391115;C=C1C(C)C=C(CC)C1N;HUQSLJHYZDUENJ-UHFFFAOYSA-N;137.23;1.86;;;;;DOPC;MDCG;27;1;"MARTINI bead: SC5_SC4";;;;;;;2.97;;0.54;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM391116;MM391116;COC(=C(C)F)C(O)CN;XLNAYBZSAXQOKE-UHFFFAOYSA-N;149.17;0.15;;;;;DOPC;MDCG;27;1;"MARTINI bead: P3_C5";;;;;;;-0.33;;-4.04;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM391117;MM391117;CCC(O)C(OC)=C(F)F;KACCYTBHWPEQQU-UHFFFAOYSA-N;152.14;1.51;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda_C5";;;;;;;1.64;;0.05;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM391118;MM391118;CCC1=CN(C)C(=N)C1C;SFUCRHOXMJLBHR-UHFFFAOYSA-N;138.21;1.84;;;;;DOPC;MDCG;27;1;"MARTINI bead: SN0_SNd";;;;;;;1.17;;-4.83;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM391119;MM391119;COC(=C(F)F)C(O)CN;YVYKEUFLGQATFN-UHFFFAOYSA-N;153.13;0.06;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nda_P2";;;;;;;-0.24;;-5.36;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM391120;MM391120;CCC1=CN(C)C(=O)C1C;ROVVFVDMNCEDCB-UHFFFAOYSA-N;139.2;1.39;;;;;DOPC;MDCG;27;0;"MARTINI bead: SN0_SNda";;;;;;;1.17;;-1.13;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM391121;MM391121;COC(=C(F)F)C(O)CF;ZSOXEVWEOTWXML-UHFFFAOYSA-N;156.1;1.07;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_C5";;;;;;;0.54;;-1.09;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM391122;MM391122;CCC1=CN(N)C(=O)C1C;KBGDJJVQYXPAFU-UHFFFAOYSA-N;140.19;0.63;;;;;DOPC;MDCG;27;0;"MARTINI bead: SN0_SP1";;;;;;;0.34;;-1.53;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM391123;MM391123;COC(=C(C)F)C(F)CO;OLJRNFZNDFBMGP-UHFFFAOYSA-N;152.14;1.16;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_C5";;;;;;;0.81;;-0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM391124;MM391124;CCC1=CC(C)C(=N)N1C;LTORYQBXJBRFJV-UHFFFAOYSA-N;138.21;1.84;;;;;DOPC;MDCG;27;1;"MARTINI bead: SC5_SNd";;;;;;;1.64;;-3.58;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM391125;MM391125;COC(=C(F)F)C(F)CO;VYITVLCZNKKHAP-UHFFFAOYSA-N;156.1;1.07;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_C5";;;;;;;0.54;;-1.09;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM391126;MM391126;CCC1=CC(C)C(=O)N1C;NJUDHMFXOFNRJX-UHFFFAOYSA-N;139.2;1.39;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC5_SNda";;;;;;;1.64;;0.05;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM391127;MM391127;CC(C)=C(CF)C(C)C=O;USCJUFDVDYVSBG-UHFFFAOYSA-N;144.19;2.13;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_C4";;;;;;;2.2;;0.34;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM391128;MM391128;C#CC=NN=C(C)NN;INSIZQTXRXCJLZ-UHFFFAOYSA-N;124.15;-0.51;;;;;DOPC;MDCG;27;0;"MARTINI bead: P3_C4";;;;;;;0.23;;-1.03;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM391129;MM391129;C=CC(C)C(CN)=C(C)F;KUOBVTVAYXEGSX-UHFFFAOYSA-N;143.21;2.01;;;;;DOPC;MDCG;27;1;"MARTINI bead: C1_P2";;;;;;;1.8;;-1.03;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM391130;MM391130;Cn1cc(CN)n(O)c1=N;OJNHXNWMIDTYLM-UHFFFAOYSA-N;142.16;-1;;;;;DOPC;MDCG;27;1;"MARTINI bead: SP2_SP2";;;;;;;-1.34;;-6.41;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM391131;MM391131;CC(F)=C(CF)C(C)C=O;WWRFPKWNXIFBQU-UHFFFAOYSA-N;148.15;2.03;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_C5";;;;;;;1.64;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM391132;MM391132;CNc1cn(N)c(=N)n1C;ZKYOJNRBCSZVEQ-UHFFFAOYSA-N;141.18;-0.94;;;;;DOPC;MDCG;27;1;"MARTINI bead: SNd_SP2";;;;;;;-0.24;;-7.23;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM391133;MM391133;CCC(=C(F)F)C(C)C=O;LAXMOXBSNNPHHY-UHFFFAOYSA-N;148.15;2.38;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_C1";;;;;;;2.91;;0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM391134;MM391134;CNc1cn(O)c(=N)n1C;CQMXCCCUPUTQJT-UHFFFAOYSA-N;142.16;-0.41;;;;;DOPC;MDCG;27;1;"MARTINI bead: SNd_SP2";;;;;;;-0.24;;-5.7;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM391135;MM391135;C=CC(C)C(CN)=C(F)F;VGCIHTCFGZHKEQ-UHFFFAOYSA-N;147.17;1.92;;;;;DOPC;MDCG;27;1;"MARTINI bead: C5_N0";;;;;;;1.94;;-0.82;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM391136;MM391136;CNc1cn(N)c(=O)n1N;SXXRPZXYZMWTKI-UHFFFAOYSA-N;143.15;-1.88;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNd_SP3";;;;;;;-1.1;;-3.93;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM391137;MM391137;CC(C=O)C(CO)=C(F)F;BGUYIUJEXCQZGJ-UHFFFAOYSA-N;150.12;0.96;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_N0";;;;;;;0.34;;-1.53;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM391138;MM391138;COc1cn(N)c(=N)n1C;UXSICXCYTPYCQK-UHFFFAOYSA-N;142.16;-0.97;;;;;DOPC;MDCG;27;1;"MARTINI bead: SNa_SP2";;;;;;;-0.24;;-6.6;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM391139;MM391139;C=CC(N)C(CN)=C(C)F;FULKMWLVMJDRES-UHFFFAOYSA-N;144.19;0.7;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nda_P2";;;;;;;-0.24;;-5.29;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM391140;MM391140;Cn1nc(CF)n(C)c1=O;URBXZDWWQBXNIZ-UHFFFAOYSA-N;145.14;-0.41;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP1_SP2";;;;;;;-1.06;;-3.82;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM391141;MM391141;C=CC(N)C(CF)=C(F)F;UPYQATFYQYNELQ-UHFFFAOYSA-N;151.13;1.62;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1_C4";;;;;;;1.37;;-1.64;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM391142;MM391142;C=NNC(=N)C(=O)C=O;CHXZEWWXAUPISS-UHFFFAOYSA-N;127.1;-1.06;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_Na";;;;;;;-0.24;;-3.24;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM391143;MM391143;CC(C)=C(CF)C(O)C#N;ZIKWAODPMXZZIO-UHFFFAOYSA-N;143.16;1.18;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4_P3";;;;;;;0.23;;-1.03;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM391144;MM391144;CCc1nn(C)c(=O)n1N;DSNDVAIPUURSFK-UHFFFAOYSA-N;142.16;-1.14;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNa_SP3";;;;;;;-1.1;;-4.2;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM391145;MM391145;C=CC(O)C(CO)=C(C)F;YAVIKSVHXBALFG-UHFFFAOYSA-N;146.16;0.77;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_N0";;;;;;;0.34;;-1.53;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM391146;MM391146;CNC1=NC(=N)C(=O)O1;CJWUGAIGGBWSGS-UHFFFAOYSA-N;127.1;-0.9;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP1_SP2";;;;;;;-1.06;;-3.82;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM391147;MM391147;CC(F)=C(CO)C(O)C#N;IAABWCMNDSVJQU-UHFFFAOYSA-N;145.13;0.11;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_P3";;;;;;;-0.33;;-2.01;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM391148;MM391148;Cn1nc(CF)n(N)c1=O;UPWZOSQMZBOBMH-UHFFFAOYSA-N;146.13;-1.23;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP1_SP3";;;;;;;-1.93;;-4.72;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM391149;MM391149;CC(F)=C(CF)C(O)C#N;XWTWNSFVNZHTDI-UHFFFAOYSA-N;147.12;1.08;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4_P3";;;;;;;0.23;;-1.03;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM391150;MM391150;CCc1nn(N)c(=O)n1N;CKBZLFMVYNTBKZ-UHFFFAOYSA-N;143.15;-1.97;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNa_SP3";;;;;;;-1.1;;-4.2;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM391151;MM391151;C=CC(O)C(CO)=C(F)F;NAFQRZGIBGUWEA-UHFFFAOYSA-N;150.12;0.68;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_N0";;;;;;;0.34;;-1.53;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM391152;MM391152;C=NN1C(C)C1C(C)=O;OLFVSSVUKLLJLR-UHFFFAOYSA-N;126.16;0.26;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP1_Na";;;;;;;0.04;;-2.54;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM391153;MM391153;CCC(=C(C)C)C(F)C#N;PNCBITCXXOTFIJ-UHFFFAOYSA-N;141.19;2.59;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1_Na";;;;;;;2.91;;0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM391154;MM391154;Nn1nc(CF)n(N)c1=O;OYLIRRNNAFAPLX-UHFFFAOYSA-N;147.11;-2.06;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP1_SP3";;;;;;;-1.93;;-4.72;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM391155;MM391155;COC(=C(C)F)C(C)C#N;MFINSUIQLPGWEQ-UHFFFAOYSA-N;143.16;1.99;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_P1";;;;;;;0.81;;-0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM391156;MM391156;CCCc1nnc(O)o1;VNOBKMZJKWBFLD-UHFFFAOYSA-N;128.13;0.73;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNa_SP1";;;;;;;0.04;;-6.98;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM391157;MM391157;COC(=C(F)F)C(F)C#N;TUNLNANSEMELMS-UHFFFAOYSA-N;151.09;1.6;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_C5";;;;;;;1.64;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM391158;MM391158;CC(F)(F)C=NO;IZMKIRHUCCJLMZ-UHFFFAOYSA-N;109.08;1.1;;;;;DOPC;MDCG;27;0;"MARTINI bead: N0_P1";;;;;;;0.34;;-5.97;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM391159;MM391159;CC(F)=C(CN)N(C)C=O;PODPXYBEHARPBA-UHFFFAOYSA-N;146.17;0.23;;;;;DOPC;MDCG;27;1;"MARTINI bead: P4_C5";;;;;;;-0.41;;-3.84;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM391160;MM391160;C=Nn1ccc(NN)n1;LJOAWSCZCLFIRY-UHFFFAOYSA-N;125.14;-0.37;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP1_SP1";;;;;;;-0.79;;-3.13;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM391161;MM391161;CC(C)=C(CF)N(N)C=O;UWNDKBDEWZLTBE-UHFFFAOYSA-N;146.17;0.58;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4_P4";;;;;;;0.15;;-2.18;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM391162;MM391162;CC1=NN=C(NN)CC1;WPNYKDRBHVLKQT-UHFFFAOYSA-N;126.16;0.02;;;;;DOPC;MDCG;27;0;"MARTINI bead: SN0_SNd";;;;;;;1.17;;-1.04;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM391163;MM391163;NN(C=O)C(CF)=C(F)F;GRVJZNULPIMPBA-UHFFFAOYSA-N;154.09;0.4;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda_Na";;;;;;;0.87;;-1.99;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM391164;MM391164;O=c1nc(O)on1C=NO;YDKFYHKKKIKJLG-UHFFFAOYSA-N;145.07;-1.19;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP3_SP1";;;;;;;-1.93;;-8.79;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM391165;MM391165;C#CC(C)(C=C)CC(C)O;LZVCMJFXGJHRFQ-UHFFFAOYSA-N;138.21;1.58;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda_C4";;;;;;;2.2;;0.49;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM391166;MM391166;COC(=C(C)F)N(C)C=O;DKTQCJQVOXFHLT-UHFFFAOYSA-N;147.15;0.88;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_C5";;;;;;;0.54;;-1.09;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM391167;MM391167;NC(=O)n1oc(O)nc1=O;NMOYLVGCZUKNJY-UHFFFAOYSA-N;145.07;-1.53;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP2_SP1";;;;;;;-1.06;;-8.2;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM391168;MM391168;COC(=C(C)C)N(N)C=N;KHEQGZDEDFFXHR-UHFFFAOYSA-N;143.19;0.67;;;;;DOPC;MDCG;27;1;"MARTINI bead: C4_P4";;;;;;;0.15;;-3.32;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM391169;MM391169;CCC(=O)C=C(N)C(=O)O;CRCNKDQPRUQJBX-UHFFFAOYSA-N;143.14;-0.11;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_P1";;;;;;;0.04;;-6.99;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM391170;MM391170;C#CC(C)C(CC)=C(F)F;YIEXYZRWBJTJDG-UHFFFAOYSA-N;144.16;2.82;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_C1";;;;;;;3.68;;0.46;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM391171;MM391171;C=C1CC(=O)C(=O)CC1=O;UWSXRCMPRCXEJZ-UHFFFAOYSA-N;138.12;0.04;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNa_SNa";;;;;;;0.87;;-6.68;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM391172;MM391172;C#CC(N)C(CN)=C(F)F;DKOIKBYNJYYFIY-UHFFFAOYSA-N;146.14;0.06;;;;;DOPC;MDCG;27;1;"MARTINI bead: P2_Nd";;;;;;;-0.24;;-4.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM391173;MM391173;C=CC(C#CC(=O)O)OC;QYFYTESIEPJEKS-UHFFFAOYSA-N;140.14;0.28;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_P1";;;;;;;0.81;;-4.92;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM391174;MM391174;C#CC(O)C(CN)=C(C)C;ONRKWEGLFJFXOD-UHFFFAOYSA-N;139.2;0.28;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nda_P2";;;;;;;-0.24;;-5.14;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM391175;MM391175;COCCNC(=O)C(=O)O;XUQDDHNFRFFREK-UHFFFAOYSA-N;147.13;-1.17;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_P1";;;;;;;-1.06;;-8.2;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM391176;MM391176;C#CC(O)C(CO)=C(C)C;NOTVJUNVAJKUCZ-UHFFFAOYSA-N;140.18;0.31;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda_P2";;;;;;;-0.24;;-3.31;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM391177;MM391177;C=Cn1[nH]nc(O)c1=O;AEEUKKRMWLQDRX-UHFFFAOYSA-N;127.1;-0.62;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP2_SP2";;;;;;;-1.34;;-8.7;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM391178;MM391178;C#CC(O)C(CF)=C(C)C;WYRSNWOZCFCETH-UHFFFAOYSA-N;142.17;1.29;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda_Na";;;;;;;0.87;;-1.99;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM391179;MM391179;C#CC1=C(C)C(=CO)N=N1;JUTVCDVGLTVMBI-UHFFFAOYSA-N;134.14;1.76;;;;;DOPC;MDCG;27;0;"MARTINI bead: SN0_SNda";;;;;;;1.17;;-5.59;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM391180;MM391180;C#CC(O)C(CN)=C(C)F;QZQSYTSHRCMYCX-UHFFFAOYSA-N;143.16;0.18;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nda_P2";;;;;;;-0.24;;-5.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM391181;MM391181;CNc1nn(C)c(=N)n1C;ANHIBMOBWHLRKH-UHFFFAOYSA-N;141.18;-0.72;;;;;DOPC;MDCG;27;1;"MARTINI bead: SP1_SP2";;;;;;;-1.06;;-7.2;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM391182;MM391182;C#CC(O)C(CO)=C(C)F;ACTBBMHBNOAMJZ-UHFFFAOYSA-N;144.15;0.22;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda_P2";;;;;;;-0.24;;-3.31;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM391183;MM391183;CNc1nn(N)c(=N)n1C;QZLIAPJBVZCKEO-UHFFFAOYSA-N;142.17;-1.54;;;;;DOPC;MDCG;27;1;"MARTINI bead: SP1_SP3";;;;;;;-1.93;;-6.58;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM391184;MM391184;C#CC(O)C(CN)=C(F)F;FBZDVHJVYPZDOR-UHFFFAOYSA-N;147.12;0.09;;;;;DOPC;MDCG;27;1;"MARTINI bead: P2_N0";;;;;;;0.06;;-3.87;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM391185;MM391185;CNc1nn(C)c(=N)n1N;KNMCCVUBNNYWOW-UHFFFAOYSA-N;142.17;-1.54;;;;;DOPC;MDCG;27;1;"MARTINI bead: SP1_SP3";;;;;;;-1.93;;-8.88;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM391186;MM391186;C#CC(O)C(CO)=C(F)F;SAAGHAJIAJWMTM-UHFFFAOYSA-N;148.11;0.12;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_N0";;;;;;;0.06;;-2.21;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM391187;MM391187;Cn1occ(F)c1=NN;IJQCPTNHADAATR-UHFFFAOYSA-N;131.11;-0.47;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP1_SNa";;;;;;;0.04;;-2.54;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM391188;MM391188;C#CC(F)C(CO)=C(C)F;URGYKMFCEFMJIH-UHFFFAOYSA-N;146.14;1.19;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda_Na";;;;;;;0.87;;-1.99;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM391189;MM391189;C=C(C=CC)C(C)(C)CO;DLIAPSKQJRDVPP-UHFFFAOYSA-N;140.23;2.14;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1_Nda";;;;;;;2.91;;0.57;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM391190;MM391190;C#CC(O)C(OC)=C(C)F;FVSFIAJLINKRIJ-UHFFFAOYSA-N;144.15;0.83;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_C5";;;;;;;0.54;;-1.09;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM391191;MM391191;Cn1onc(O)c1=O;RTOAVZLLFYLGRR-UHFFFAOYSA-N;116.08;-0.92;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP2_SP1";;;;;;;-1.06;;-8.2;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM391192;MM391192;C#CC(O)C(OC)=C(F)F;MQHRRCGJEXHYQO-UHFFFAOYSA-N;148.11;0.74;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_C5";;;;;;;0.54;;-1.09;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM391193;MM391193;CN(CCO)C(=O)C(=O)O;OFTGLHPLRMAXQX-UHFFFAOYSA-N;147.13;-1.48;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_P2";;;;;;;-1.06;;-8.2;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM391194;MM391194;C#CC(F)C(OC)=C(C)C;SYKJOYQXMKTEBM-UHFFFAOYSA-N;142.17;1.9;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_C4";;;;;;;2.2;;0.34;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM391195;MM391195;COc1nn(C)c(=O)n1N;JPUWEDYVSMKBFV-UHFFFAOYSA-N;144.13;-1.7;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP1_SP3";;;;;;;-1.93;;-4.72;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM391196;MM391196;C#CC(F)C(OC)=C(F)F;ZSUXFCHYYVFDKJ-UHFFFAOYSA-N;150.1;1.71;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_C5";;;;;;;1.64;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM391197;MM391197;COc1nn(N)c(=O)n1N;FUHRNONUMNMKDP-UHFFFAOYSA-N;145.12;-2.52;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP1_SP3";;;;;;;-1.93;;-4.72;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM391198;MM391198;CC(C)=C(C=O)C(C)CF;CAOKWEXHSXSQJE-UHFFFAOYSA-N;144.19;2.13;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4_N0";;;;;;;2.5;;0.44;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM391199;MM391199;O=C(O)n1ccncc1=O;GAAUQXBXAMABRW-UHFFFAOYSA-N;140.1;-0.23;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP4_SP1";;;;;;;-2.01;;-8.94;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM391200;MM391200;CC(N)=C(C#N)C(C)CF;VPARMGCOWXTYNK-UHFFFAOYSA-N;142.18;1.35;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_Nd";;;;;;;0.87;;-1.88;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM391201;MM391201;CC(F)(C=O)C(C=O)=NO;PYUVONHTTAMMAR-UHFFFAOYSA-N;147.11;-0.06;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda_P2";;;;;;;-0.24;;-7.68;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM391202;MM391202;CC(F)=C(C=O)C(C)CF;DZHUITCXNYYJNG-UHFFFAOYSA-N;148.15;2.03;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_C5";;;;;;;1.64;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM391203;MM391203;CC=Cc1nnc(O)o1;DBFXLCXYRYAAJX-UHFFFAOYSA-N;126.12;0.81;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNa_SP1";;;;;;;0.04;;-6.99;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM391204;MM391204;C=CC(=C(F)F)C(C)CN;PBNOQUZJWFMJNJ-UHFFFAOYSA-N;147.17;1.92;;;;;DOPC;MDCG;27;1;"MARTINI bead: P2_C1";;;;;;;1.8;;-1.63;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM391205;MM391205;NC1=C(CF)N=NC1=CO;QZXBIGKGJBZCAI-UHFFFAOYSA-N;143.12;0.99;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNda_SNda";;;;;;;0.87;;-6.54;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM391206;MM391206;CC(CF)C(C=O)=C(F)F;ZBCMFBQFSBOXFF-UHFFFAOYSA-N;152.12;1.94;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_C5";;;;;;;1.64;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM391207;MM391207;C=CC1=CC(C)C(=C)C1C;FLQMTYRAWFBUAV-UHFFFAOYSA-N;134.22;2.94;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC2_SC4";;;;;;;4.16;;0.44;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM391208;MM391208;C=CC(=C(C)F)C(N)CN;IXQPQDIEPMROEK-UHFFFAOYSA-N;144.19;0.7;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nda_P2";;;;;;;-0.24;;-5.39;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM391209;MM391209;C=C1C(C)C=C(C=O)C1C;KHIXQZWYPUJPSE-UHFFFAOYSA-N;136.19;1.95;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC5_SC4";;;;;;;2.97;;0.45;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM391210;MM391210;C=CC(=C(F)F)C(N)CN;YQLJYMJIMRGJQC-UHFFFAOYSA-N;148.16;0.61;;;;;DOPC;MDCG;27;1;"MARTINI bead: P2_N0";;;;;;;0.06;;-4.27;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM391211;MM391211;C=C1C(C)C=C(C#N)C1C;BLUGHZUHASQNKT-UHFFFAOYSA-N;133.19;2.28;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC5_SC4";;;;;;;2.97;;0.45;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM391212;MM391212;CCC(C)(C=C(C)C)CO;SDSHUTJGWAQFND-UHFFFAOYSA-N;142.24;2.36;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_C4";;;;;;;2.97;;0.45;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM391213;MM391213;C=CC1=CC(N)C(=C)C1C;AASZEKOUJPHGNR-UHFFFAOYSA-N;135.21;1.63;;;;;DOPC;MDCG;27;1;"MARTINI bead: SC2_SNd";;;;;;;2.83;;0.04;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM391214;MM391214;CCC(O)C(C=O)=C(C)F;JTMLVVZABUECHV-UHFFFAOYSA-N;146.16;1.2;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda_Na";;;;;;;0.87;;-1.99;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM391215;MM391215;C=C(CC)CC(C)C(C)O;FBGKYGFKTGTRNW-UHFFFAOYSA-N;142.24;2.36;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1_Nda";;;;;;;2.91;;0.57;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM391216;MM391216;CC(F)=C(C#N)C(O)CO;RZDQYVHDOTYZSH-UHFFFAOYSA-N;145.13;0.11;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_P3";;;;;;;-0.33;;-2.01;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM391217;MM391217;C=C1C(O)C=C(C#N)C1C;PJTVZTBKULXSFE-UHFFFAOYSA-N;135.17;1;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNda_SC5";;;;;;;1.64;;0.05;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM391218;MM391218;C=CC(C)(O)C(C)C#CC;BPICBDKZULUUQW-UHFFFAOYSA-N;138.21;1.58;;;;;DOPC;MDCG;27;0;"MARTINI bead: C3_Nda";;;;;;;2.57;;0.44;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM391219;MM391219;C=CC1=CC(C)C(=O)C1C;QVRQXHZUZQTGJB-UHFFFAOYSA-N;136.19;1.95;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC3_SNa";;;;;;;2.57;;0.45;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM391220;MM391220;N#CC(=C(N)N)C(O)CO;RPLOQZWDQOKBPC-UHFFFAOYSA-N;143.15;-2.01;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_P3";;;;;;;-1.93;;-4.72;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM391221;MM391221;CC1C=C(C=O)C(C)C1=O;AHGQXMJOFWDQPZ-UHFFFAOYSA-N;138.17;0.97;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNa_SNa";;;;;;;0.87;;-2.22;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM391222;MM391222;N#CC(=C(N)N)C(O)CF;GTCQDJDYOBHWIJ-UHFFFAOYSA-N;145.14;-1.03;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_P2";;;;;;;-1.06;;-3.82;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM391223;MM391223;CC1C=C(C#N)C(C)C1=O;KXBOPXYNQBVLFT-UHFFFAOYSA-N;135.17;1.29;;;;;DOPC;MDCG;27;0;"MARTINI bead: SN0_SNa";;;;;;;1.17;;-1.18;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM391224;MM391224;C=CC(=C(F)F)C(O)CO;QREJAQHIMBNNDZ-UHFFFAOYSA-N;150.12;0.68;;;;;DOPC;MDCG;27;0;"MARTINI bead: P3_C3";;;;;;;0.6;;-0.8;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM391225;MM391225;C=CC1=CC(O)C(=O)C1C;QESIVFGPSCRDJN-UHFFFAOYSA-N;138.17;0.68;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP1_SC3";;;;;;;1.74;;0.29;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM391226;MM391226;CCC(F)C(C=O)=C(C)N;XRKZWHSDGSDNAI-UHFFFAOYSA-N;145.18;1.17;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_P1";;;;;;;0.81;;-0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM391227;MM391227;CC1C(=O)C(O)C=C1C#N;CZBQAVMZWSOAPU-UHFFFAOYSA-N;137.14;0.02;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP1_SN0";;;;;;;0.34;;-1.53;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM391228;MM391228;C=NN=C(C)NC(=C)C#N;KBBVXBWWTBDOAT-UHFFFAOYSA-N;136.16;0.65;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_C5";;;;;;;0.81;;-0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM391229;MM391229;C=CC1=CC(C)C(=C)C1N;NSKSSVGZSUAPGW-UHFFFAOYSA-N;135.21;1.63;;;;;DOPC;MDCG;27;1;"MARTINI bead: SC3_SNd";;;;;;;2.57;;-0.66;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM391230;MM391230;C=NOC(C)C(=O)C#CC;ZBESXNGYZHCHEA-UHFFFAOYSA-N;139.15;0.6;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_Na";;;;;;;1.64;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM391231;MM391231;C=CC1=CC(N)C(=C)C1N;PROKLAJYVKWVLY-UHFFFAOYSA-N;136.2;0.32;;;;;DOPC;MDCG;27;1;"MARTINI bead: SNd_SNd";;;;;;;0.87;;-3.99;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM391232;MM391232;C=CC(=C(F)F)C(F)CN;DXGWVOZGLCGYTP-UHFFFAOYSA-N;151.13;1.62;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nda_N0";;;;;;;1.17;;-2.56;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM391233;MM391233;C=CC1=CN(C)C(=N)C1C;LRGSEZBQDWFEAF-UHFFFAOYSA-N;136.2;1.62;;;;;DOPC;MDCG;27;1;"MARTINI bead: SN0_SNd";;;;;;;1.17;;-4.68;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM391234;MM391234;C=CC(=C(C)C)C(C)NC;FBKYDKJIOFOFFP-UHFFFAOYSA-N;139.24;2.12;;;;;DOPC;MDCG;27;1;"MARTINI bead: C5_N0";;;;;;;1.94;;-1.19;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM391235;MM391235;CC1C(=N)N(C)C=C1C#N;LSTJAUHANHLVHI-UHFFFAOYSA-N;135.17;0.95;;;;;DOPC;MDCG;27;1;"MARTINI bead: SNd_SP1";;;;;;;0.04;;-6.26;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM391236;MM391236;CNC(C)C(C=O)=C(C)C;NXOBMQVKFLGJQW-UHFFFAOYSA-N;141.21;1.13;;;;;DOPC;MDCG;27;1;"MARTINI bead: C5_P2";;;;;;;0.54;;-2.89;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM391237;MM391237;C=CC1=CN(C)C(=O)C1C;WYDQUTPDPKEHRY-UHFFFAOYSA-N;137.18;1.16;;;;;DOPC;MDCG;27;0;"MARTINI bead: SN0_SNda";;;;;;;1.17;;-1.13;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM391238;MM391238;CNC(C)C(C=O)=C(C)F;APXGPOWZBOVTHY-UHFFFAOYSA-N;145.18;1.04;;;;;DOPC;MDCG;27;1;"MARTINI bead: P2_C5";;;;;;;0.54;;-2.46;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM391239;MM391239;C=CC(=C(F)F)C(C)NC;HUTBQRMJPSQKJU-UHFFFAOYSA-N;147.17;1.93;;;;;DOPC;MDCG;27;1;"MARTINI bead: P2_C1";;;;;;;1.8;;-0.38;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM391240;MM391240;CC1C(=O)N(C)C=C1C#N;ZLNBUKIYVWPSSJ-UHFFFAOYSA-N;136.15;0.5;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNda_SP1";;;;;;;0.04;;-2.73;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM391241;MM391241;C=CC(C)C(C=O)=C(C)N;ZCCVHRKCSZHXNJ-UHFFFAOYSA-N;139.2;1.24;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_P2";;;;;;;0.54;;-1.09;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM391242;MM391242;CC(=CF)CC(C)C(C)O;XPLYSIJVXYSDRM-UHFFFAOYSA-N;146.21;2.27;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda_C4";;;;;;;2.2;;0.49;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM391243;MM391243;CC(F)=C(C#N)C(C)C#N;SLFDZHCBJLXFLC-UHFFFAOYSA-N;138.15;1.91;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_C5";;;;;;;0.81;;-0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM391244;MM391244;CCC1(O)CC(CC#N)C1;OQQRJYOUAHJKBD-UHFFFAOYSA-N;139.2;1.45;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNda_SC5";;;;;;;1.64;;0.05;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM391245;MM391245;C=CC(C)C(C=O)=C(N)N;IGOVPYFFIUMBHT-UHFFFAOYSA-N;140.19;0.14;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nd_P2";;;;;;;-0.24;;-3.16;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM391246;MM391246;C=CC1=CC(C)C(=N)N1C;IMPAUSRDTVUZLI-UHFFFAOYSA-N;136.2;1.62;;;;;DOPC;MDCG;27;1;"MARTINI bead: SN0_SNd";;;;;;;1.17;;-4.5;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM391247;MM391247;C=CC(C)C(C#N)=C(N)N;QWKOZEJCCUEAKX-UHFFFAOYSA-N;137.19;0.46;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4_P4";;;;;;;0.15;;-2.18;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM391248;MM391248;CC1C=C(C#N)N(C)C1=N;UFZQWZLVLZIEPY-UHFFFAOYSA-N;135.17;0.95;;;;;DOPC;MDCG;27;1;"MARTINI bead: SP1_SNd";;;;;;;0.04;;-3.98;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM391249;MM391249;C=CC(=C(F)F)C(C)C=O;RDANEBVEQPFWCK-UHFFFAOYSA-N;146.14;2.16;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_C3";;;;;;;2.57;;0.45;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM391250;MM391250;C=CC1=CC(C)C(=O)N1C;KBQMEJOPLCJOBO-UHFFFAOYSA-N;137.18;1.16;;;;;DOPC;MDCG;27;0;"MARTINI bead: SN0_SNda";;;;;;;1.17;;-1.13;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM391251;MM391251;C=CC(C)C(C=O)=C(F)F;CIMOUULMMACIAP-UHFFFAOYSA-N;146.14;2.16;;;;;DOPC;MDCG;27;0;"MARTINI bead: C3_Na";;;;;;;2.57;;0.45;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM391252;MM391252;CC1C=C(C#N)N(C)C1=O;LAZIELPNZJZUJW-UHFFFAOYSA-N;136.15;0.5;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP1_SNda";;;;;;;0.04;;-2.73;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM391253;MM391253;CC(C#N)C(C#N)=C(F)F;KAHRSJYINQLYMB-UHFFFAOYSA-N;142.11;1.82;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_C4";;;;;;;1.37;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM391254;MM391254;C=CC1=CC(C)C(=N)N1N;DUQRUPVHRUTFFE-UHFFFAOYSA-N;137.19;0.86;;;;;DOPC;MDCG;27;1;"MARTINI bead: SN0_SP1";;;;;;;0.34;;-3.96;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM391255;MM391255;C=CC(=C(F)F)C(N)C=C;DEMXILGFAASSLN-UHFFFAOYSA-N;145.15;1.84;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1_C3";;;;;;;1.74;;-1.07;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM391256;MM391256;C=CC(C)(C)C1C(C)C1O;DOCKFEFVTWIWEB-UHFFFAOYSA-N;140.23;1.83;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNda_C2";;;;;;;2.83;;0.57;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM391257;MM391257;C=CC(O)C(C=O)=C(C)N;UNPQQHPQFVOXLT-UHFFFAOYSA-N;141.17;-0.04;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda_P2";;;;;;;-0.24;;-3.31;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM391258;MM391258;Cn1nc(C#N)n(C)c1=N;RTTOVOKUWYSTSS-UHFFFAOYSA-N;137.15;-0.89;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP1_SP2";;;;;;;-1.06;;-3.82;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM391259;MM391259;C=CC(=C(C)F)C(O)C#N;OQIALPGZOMATBL-UHFFFAOYSA-N;141.15;1.3;;;;;DOPC;MDCG;27;0;"MARTINI bead: C3_P3";;;;;;;0.6;;-0.8;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM391260;MM391260;C=NOC(C)C(=O)C=CC;RBVLVDWXSIVCJC-UHFFFAOYSA-N;141.17;1.15;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_Na";;;;;;;0.87;;-2.22;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM391261;MM391261;C=CC(O)C(C=O)=C(C)F;ITYNZCLQQKBUQX-UHFFFAOYSA-N;144.15;0.98;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_N0";;;;;;;0.34;;-1.53;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM391262;MM391262;C=CCC(O)C(C)C#CC;HGXFYKLGGHVYBO-UHFFFAOYSA-N;138.21;1.58;;;;;DOPC;MDCG;27;0;"MARTINI bead: C3_Nda";;;;;;;2.57;;0.44;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM391263;MM391263;C=CC(O)C(C=O)=C(F)F;WDXQODFKXXXURC-UHFFFAOYSA-N;148.11;0.88;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda_Na";;;;;;;0.87;;-1.99;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM391264;MM391264;Cn1nc(C=O)n(C)c1=O;PMLSZALGCGCYSB-UHFFFAOYSA-N;141.13;-1.07;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP2_SP2";;;;;;;-1.34;;-4.31;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM391265;MM391265;CC(C)=C(C=O)C(F)C#N;WFSAYXRVDIWVDC-UHFFFAOYSA-N;141.15;1.38;;;;;DOPC;MDCG;27;0;"MARTINI bead: N0_Na";;;;;;;1.17;;-1.18;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM391266;MM391266;C=Cc1nn(C)c(=O)n1N;OIMQDOCKCGROLL-UHFFFAOYSA-N;140.15;-1.06;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNa_SP3";;;;;;;-1.1;;-4.2;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM391267;MM391267;COC(=NN)N(C)N(C)C;ADIKOZILWXRWSI-UHFFFAOYSA-N;146.19;-0.73;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_P2";;;;;;;-1.06;;-3.82;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM391268;MM391268;N#CC#Cc1n[nH]c(O)n1;PJUZCJNUCLZRJH-UHFFFAOYSA-N;134.1;-0.61;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP2_SP1";;;;;;;-1.06;;-8.2;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM391269;MM391269;CC(F)=C(C#N)C(F)C=O;SBALQJBTNANUOZ-UHFFFAOYSA-N;145.11;1.29;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_P2";;;;;;;0.54;;-1.09;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM391270;MM391270;OC=C1C=NC(O)=N1;XRHWNZOMHWLAEP-UHFFFAOYSA-N;112.09;0.38;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNda_SP1";;;;;;;0.04;;-7.16;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM391271;MM391271;CC(F)=C(C#N)N(C)C=O;QOGKBQLNKNGJFU-UHFFFAOYSA-N;142.13;0.8;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_C5";;;;;;;0.54;;-1.09;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM391272;MM391272;C#CC1=NC(=CO)C=N1;JAUKBPPGOZKYPE-UHFFFAOYSA-N;120.11;0.5;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNda_SP1";;;;;;;0.04;;-7.16;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM391273;MM391273;CN(C=N)C(C=O)=C(N)N;PKCLSLPCLMHATF-UHFFFAOYSA-N;142.16;-1.19;;;;;DOPC;MDCG;27;1;"MARTINI bead: P2_P3";;;;;;;-2.2;;-6.2;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM391274;MM391274;NC(=O)C(N)=C(N)C(=O)O;WONNFZWOVAHCLS-UHFFFAOYSA-N;145.12;-2.31;;;;;DOPC;MDCG;27;0;"MARTINI bead: P4_P1";;;;;;;-2.01;;-8.94;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM391275;MM391275;CN(C=O)C(C#N)=C(N)N;OQKQILPNHFEFIG-UHFFFAOYSA-N;140.15;-1.32;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_P2";;;;;;;-1.34;;-4.31;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM391276;MM391276;O=C(O)CNC(=NO)NO;HGUBQZMKWVSSSH-UHFFFAOYSA-N;149.11;-1.62;;;;;DOPC;MDCG;27;0;"MARTINI bead: P4_P1";;;;;;;-2.01;;-8.94;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM391277;MM391277;C=CC(=C(C)F)N(N)C=O;UUVFIISDEHUKHQ-UHFFFAOYSA-N;144.15;0.71;;;;;DOPC;MDCG;27;0;"MARTINI bead: C3_P4";;;;;;;0.52;;-1.59;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM391278;MM391278;CC(C(=O)O)N1CC1;TUPRYIWOYUHTSP-UHFFFAOYSA-N;115.13;-0.22;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNd_P1";;;;;;;0.04;;-7.08;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM391279;MM391279;CC#CC(=NNC)N(C)N;RBUHPKZVHBYQRF-UHFFFAOYSA-N;140.19;-0.65;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_N0";;;;;;;0.06;;-2.21;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM391280;MM391280;CC(C#CC(=O)O)CC=O;NLAHWLWIKGOUGY-UHFFFAOYSA-N;140.14;0.3;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_P1";;;;;;;0.81;;-4.93;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM391281;MM391281;CC(=N)n1nc(N)c(=O)o1;YDDVGNVWUDFZRC-UHFFFAOYSA-N;142.12;-0.74;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP2_SP2";;;;;;;-1.34;;-4.31;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM391282;MM391282;CCC(C=O)=C(N)C(=O)O;SOAOWZQAXVUPJQ-UHFFFAOYSA-N;143.14;-0.11;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda_P1";;;;;;;0.04;;-7.17;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM391283;MM391283;C#CC1C=CC(C)(O)CC1;KUMPYMAXUUEDAR-UHFFFAOYSA-N;136.19;1.34;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC5_SC4";;;;;;;2.97;;0.45;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM391284;MM391284;C#CC1=CC(C)C(=C)C1C;NVPBEYPAYBJTRC-UHFFFAOYSA-N;132.21;2.39;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC4_SC4";;;;;;;3.53;;0.53;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM391285;MM391285;C#CC(O)C(C#N)=C(C)N;JLNMODZNNYCHDZ-UHFFFAOYSA-N;136.15;-0.26;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nd_P2";;;;;;;-0.24;;-3.16;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM391286;MM391286;C#CC1=CC(N)C(=C)C1C;LLDOZAPPOXTOAX-UHFFFAOYSA-N;133.19;1.08;;;;;DOPC;MDCG;27;1;"MARTINI bead: SNd_SC4";;;;;;;2.2;;-1.32;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM391287;MM391287;C#CC(O)C(C#N)=C(C)F;YAZVJRGRNJFCNJ-UHFFFAOYSA-N;139.13;0.75;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_P2";;;;;;;0.54;;-1.09;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM391288;MM391288;C=NNC(=CC=O)NN=C;FVKGFIZDHGUJMC-UHFFFAOYSA-N;140.15;-0.56;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4_P2";;;;;;;1.09;;-0.38;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM391289;MM391289;C#CC(O)C(C#N)=C(N)N;HZACXIQNSKHHKY-UHFFFAOYSA-N;137.14;-1.37;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_P2";;;;;;;-1.06;;-3.82;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM391290;MM391290;C#CC1=CC(F)C(=C)C1C;CLOUFALKGBNHDF-UHFFFAOYSA-N;136.17;2.09;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC5_SC4";;;;;;;2.97;;0.45;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM391291;MM391291;CCC1CCC(C)(CO)C1;KGDPATKRACUCMG-UHFFFAOYSA-N;142.24;2.2;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC1_SC5";;;;;;;3.68;;0.46;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM391292;MM391292;C#CC1=CC(C)C(=O)C1C;UPLHYHCMIPJBEI-UHFFFAOYSA-N;134.18;1.4;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC5_SNa";;;;;;;1.64;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM391293;MM391293;C#CC(=C(F)F)C(N)CO;MLAIXDHCBDLTKV-UHFFFAOYSA-N;147.12;0.09;;;;;DOPC;MDCG;27;1;"MARTINI bead: P2_N0";;;;;;;0.06;;-3.39;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM391294;MM391294;C#CC1=CC(O)C(=O)C1C;FQBFIIRBJDKYPA-UHFFFAOYSA-N;136.15;0.13;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP1_SC5";;;;;;;0.81;;-0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM391295;MM391295;C#CC(=C(F)F)C(O)CN;ARJBPQJRPYDICG-UHFFFAOYSA-N;147.12;0.09;;;;;DOPC;MDCG;27;1;"MARTINI bead: P3_C4";;;;;;;0.23;;-3.1;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM391296;MM391296;C#CC1=CC(C)C(=C)C1N;ONXNIJKRWQGHDG-UHFFFAOYSA-N;133.19;1.08;;;;;DOPC;MDCG;27;1;"MARTINI bead: SNd_SC4";;;;;;;2.2;;-0.94;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM391297;MM391297;C#CC(=C(C)C)C(C)C#N;MJDVXRRHIGUBQM-UHFFFAOYSA-N;133.19;2.12;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_C4";;;;;;;1.37;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM391298;MM391298;C#CC(=C(C)F)C(C)C#N;ZGPJDCSTVQVJNK-UHFFFAOYSA-N;137.16;2.02;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_C4";;;;;;;1.37;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM391299;MM391299;C#CC1=CC(N)C(=C)C1N;HBRWIPKYHBAZGX-UHFFFAOYSA-N;134.18;-0.23;;;;;DOPC;MDCG;27;1;"MARTINI bead: SNd_SNd";;;;;;;0.87;;-3.81;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM391300;MM391300;C#CC(=C(C)F)C(N)C=C;GYDMHKSDCQLJDJ-UHFFFAOYSA-N;139.17;1.38;;;;;DOPC;MDCG;27;1;"MARTINI bead: C4_P1";;;;;;;1.37;;-1.3;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM391301;MM391301;C#CC1=CN(C)C(=N)C1C;UEGTWJJIEHSBSR-UHFFFAOYSA-N;134.18;1.06;;;;;DOPC;MDCG;27;1;"MARTINI bead: SNd_SP1";;;;;;;0.04;;-5.69;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM391302;MM391302;C#CC(=C(F)F)C(O)C#N;XCZAYPRQOXWMLW-UHFFFAOYSA-N;143.09;0.65;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_N0";;;;;;;0.34;;-1.53;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM391303;MM391303;C#CC1=CN(N)C(=N)C1C;XIXFIRQRSWJAQS-UHFFFAOYSA-N;135.17;0.31;;;;;DOPC;MDCG;27;1;"MARTINI bead: SP1_SP1";;;;;;;-0.79;;-4.93;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM391304;MM391304;C#CC(=C(C)F)C(F)C=O;MEKNILFHLCLDFK-UHFFFAOYSA-N;144.12;1.4;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4_P2";;;;;;;1.09;;-0.38;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM391305;MM391305;C#CC1=CN(C)C(=O)C1C;MLTJYWOQEXZTBA-UHFFFAOYSA-N;135.17;0.61;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNda_SP1";;;;;;;0.04;;-2.73;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM391306;MM391306;C#CC(=C(C)C)N(C)C=N;SDAGLXGRCWDHRZ-UHFFFAOYSA-N;136.2;1.45;;;;;DOPC;MDCG;27;1;"MARTINI bead: P2_C5";;;;;;;0.54;;-3.73;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM391307;MM391307;C#CC1=CN(N)C(=O)C1C;TVXINRQSMBQDOA-UHFFFAOYSA-N;136.15;-0.14;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP1_SP1";;;;;;;-0.79;;-3.13;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM391308;MM391308;C#CC(=C(C)F)N(C)C=O;GOSCLEPFDUIDIW-UHFFFAOYSA-N;141.15;0.91;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_C5";;;;;;;0.54;;-1.09;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM391309;MM391309;C#CCc1cc(N)c(C)[nH]1;OAMYJFFCNQXMEM-UHFFFAOYSA-N;134.18;1.08;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNd_SN0";;;;;;;1.17;;-1.04;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM391310;MM391310;C#CC(=C(F)F)N(C)C=O;QRGNVRXBRJAYQK-UHFFFAOYSA-N;145.11;0.82;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_C5";;;;;;;0.54;;-1.09;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM391311;MM391311;C#CC1=NN(C)C(=O)C1C;WXCUFHLMXDHELK-UHFFFAOYSA-N;136.15;0.08;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP1_SP1";;;;;;;-0.79;;-3.13;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM391312;MM391312;C#CC(=C(C)C)N(N)C=N;WLTJJOFQAXIKLR-UHFFFAOYSA-N;137.19;0.7;;;;;DOPC;MDCG;27;1;"MARTINI bead: C4_P4";;;;;;;0.15;;-3.71;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM391313;MM391313;C#CC1=CC(C)C(=N)N1C;BXVQTNQYLUGBHB-UHFFFAOYSA-N;134.18;1.06;;;;;DOPC;MDCG;27;1;"MARTINI bead: SNd_SNd";;;;;;;0.87;;-4.99;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM391314;MM391314;C#CC(=C(C)C)N(N)C=O;SIMKMLCRLYUQGA-UHFFFAOYSA-N;138.17;0.25;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4_P4";;;;;;;0.15;;-2.18;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM391315;MM391315;C#CC1=CC(C)C(=O)N1C;WRIMWQMKWHNGNV-UHFFFAOYSA-N;135.17;0.61;;;;;DOPC;MDCG;27;0;"MARTINI bead: SN0_SNda";;;;;;;1.17;;-1.13;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM391316;MM391316;C#CC(=C(C)F)N(N)C=O;NLVHCJOWSXUKJZ-UHFFFAOYSA-N;142.13;0.15;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_P2";;;;;;;0.54;;-1.09;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM391317;MM391317;C#CC1=CC(C)C(=N)N1N;UZHHFSNITCGVET-UHFFFAOYSA-N;135.17;0.31;;;;;DOPC;MDCG;27;1;"MARTINI bead: SN0_SP1";;;;;;;0.34;;-3.35;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM391318;MM391318;C#CC(=C(C)F)C(O)C#C;FWAOYEKJUOSZPL-UHFFFAOYSA-N;138.14;0.86;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4_P2";;;;;;;1.09;;-0.38;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM391319;MM391319;C#CC1=CC(C)C(=O)N1N;BDRVPCROQLBBSN-UHFFFAOYSA-N;136.15;-0.14;;;;;DOPC;MDCG;27;0;"MARTINI bead: SN0_SP1";;;;;;;0.34;;-1.53;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM391320;MM391320;C=C(CN)C(CO)=C(C)C;YDQRWTDTDIQWAS-UHFFFAOYSA-N;141.21;0.83;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nda_P1";;;;;;;0.04;;-4.62;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM391321;MM391321;C=CC(C)(CO)CC=CF;QMLQDSYJUAAUBG-UHFFFAOYSA-N;144.19;2.04;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda_C4";;;;;;;2.2;;0.49;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM391322;MM391322;C=C(CO)C(CO)=C(C)C;ZKHOQIDDKFZASS-UHFFFAOYSA-N;142.2;0.86;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4_P3";;;;;;;0.23;;-1.03;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM391323;MM391323;C#CC1=NC(C)C(=O)N1C;QJKUMAXLFDSXAT-UHFFFAOYSA-N;136.15;-0.12;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP1_SP1";;;;;;;-0.79;;-3.13;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM391324;MM391324;C=C(CN)C(CN)=C(C)F;AGBINYGIPZCDSZ-UHFFFAOYSA-N;144.19;0.7;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nda_P2";;;;;;;-0.24;;-5.75;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM391325;MM391325;C#Cc1nn(C)c(=O)n1C;MSTOGQIAGMATDN-UHFFFAOYSA-N;137.14;-0.9;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP1_SP2";;;;;;;-1.06;;-3.82;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM391326;MM391326;C=C(CN)C(CC)=C(F)F;LWTNIUOZRUHJDS-UHFFFAOYSA-N;147.17;2.06;;;;;DOPC;MDCG;27;1;"MARTINI bead: C1_P2";;;;;;;1.8;;-1.08;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM391327;MM391327;C#Cc1nn(C)c(=O)n1N;OGINJOWCEPUPRF-UHFFFAOYSA-N;138.13;-1.72;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP1_SP3";;;;;;;-1.93;;-4.72;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM391328;MM391328;C=C(CC)C(CN)=C(F)F;CIZCPBQXLIGJBO-UHFFFAOYSA-N;147.17;2.06;;;;;DOPC;MDCG;27;1;"MARTINI bead: C5_Nd";;;;;;;1.64;;-1.91;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM391329;MM391329;C#Cc1nn(N)c(=O)n1N;IIUSJLBANBJAIE-UHFFFAOYSA-N;139.12;-2.55;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP1_SP3";;;;;;;-1.93;;-4.72;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM391330;MM391330;C=C(CN)C(CF)=C(F)F;RNNAPLICDNYODT-UHFFFAOYSA-N;151.13;1.62;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1_C4";;;;;;;1.37;;-2.13;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM391331;MM391331;C=COC=C(F)C(=O)O;SAOHSJDIZVZTOQ-UHFFFAOYSA-N;132.09;1.04;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_C5";;;;;;;0.81;;-4.93;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM391332;MM391332;CC(C)=C(CO)C(=O)CF;IZPSDSPJSDHGAN-UHFFFAOYSA-N;146.16;0.85;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_Na";;;;;;;0.04;;-2.54;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM391333;MM391333;COn1oc(O)nc1=O;OXMNKEZXIQCSOE-UHFFFAOYSA-N;132.08;-1.4;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP2_SP1";;;;;;;-1.06;;-8.2;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM391334;MM391334;CCC(=O)C(CF)=C(C)C;PJFMVNDWPIUGGK-UHFFFAOYSA-N;144.19;2.27;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_C4";;;;;;;2.2;;0.34;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM391335;MM391335;O=C1N=CC(=CO)O1;PZYLAGPCIWCSCA-UHFFFAOYSA-N;113.07;0.61;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNda_SP2";;;;;;;-0.24;;-7.68;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM391336;MM391336;CC(C)=C(CF)C(=O)CO;HYXAMNRNBYPQFQ-UHFFFAOYSA-N;146.16;0.85;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_Na";;;;;;;0.04;;-2.54;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM391337;MM391337;C=CC(C)(O)C#CC(=O)O;PTZOXICGXSAZJO-UHFFFAOYSA-N;140.14;0.01;;;;;DOPC;MDCG;27;0;"MARTINI bead: N0_P1";;;;;;;0.34;;-5.99;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM391338;MM391338;CC(C)=C(CF)C(=O)CF;OSBAAGFTFRDUHG-UHFFFAOYSA-N;148.15;1.83;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4_P2";;;;;;;1.09;;-0.38;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM391339;MM391339;C=C1C=C(CC)C(C)C1=C;KFZPUDKXABECKO-UHFFFAOYSA-N;134.22;3.08;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC2_SC3";;;;;;;4.53;;0.32;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM391340;MM391340;CCC(=O)C(CC)=C(C)N;YAOOGEQBLFSINS-UHFFFAOYSA-N;141.21;1.61;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_C5";;;;;;;1.64;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM391341;MM391341;C=C1C=C(CN)C(C)C1=C;BWJWFBNJJQVUDN-UHFFFAOYSA-N;135.21;1.63;;;;;DOPC;MDCG;27;1;"MARTINI bead: SNd_SC3";;;;;;;2.57;;-0.94;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM391342;MM391342;CCC(C(=O)CF)=C(C)N;UHWKPXNDLVAHRN-UHFFFAOYSA-N;145.18;1.17;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_P2";;;;;;;0.54;;-1.09;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM391343;MM391343;C=C1C=C(CC)C(C)C1=O;TYRGIXDQIKBUCM-UHFFFAOYSA-N;136.19;2.1;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC2_SNa";;;;;;;2.83;;0.35;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM391344;MM391344;CCC(=O)C(CO)=C(C)N;KSQGWGBWBORTAS-UHFFFAOYSA-N;143.19;0.19;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_P2";;;;;;;-0.24;;-3.24;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM391345;MM391345;C=C1C=C(CC)C(N)C1=C;FFKVRLWAPLIZJH-UHFFFAOYSA-N;135.21;1.78;;;;;DOPC;MDCG;27;1;"MARTINI bead: SC2_SNd";;;;;;;2.83;;0.04;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM391346;MM391346;CCC(=O)C(CF)=C(C)N;KFRZHHYBDBYEPJ-UHFFFAOYSA-N;145.18;1.17;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_Nda";;;;;;;0.87;;-1.99;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM391347;MM391347;C=CC1=CC(=C)C(=C)C1C;UOMFNWVANMBUMQ-UHFFFAOYSA-N;132.21;2.86;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC3_SC3";;;;;;;4.27;;0.2;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM391348;MM391348;CCC(=O)C(CO)=C(C)F;LPYRMAMWIGDTIS-UHFFFAOYSA-N;146.16;1.2;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_Nda";;;;;;;0.87;;-1.99;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM391349;MM391349;C=CC1=CC(=O)C(=C)C1C;FXKXGGVQEDDMCA-UHFFFAOYSA-N;134.18;1.87;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNa_SC3";;;;;;;2.57;;0.45;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM391350;MM391350;CC(F)=C(CO)C(=O)CO;LWVQFWYQBNMLFY-UHFFFAOYSA-N;148.13;-0.22;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_P3";;;;;;;-0.33;;-2.01;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM391351;MM391351;C=C1C(=O)C=C(C#N)C1C;WAYHKQFQJFSNQI-UHFFFAOYSA-N;133.15;1.21;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNa_SN0";;;;;;;1.17;;-1.18;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM391352;MM391352;CCC(=O)C(CC)=C(N)N;HBIZRXJEVHGZKZ-UHFFFAOYSA-N;142.2;0.5;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4_P4";;;;;;;0.15;;-2.18;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM391353;MM391353;C=CC1=CC(=C)C(=O)C1C;SSHZDLBSGIRKGO-UHFFFAOYSA-N;134.18;1.87;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC3_SNa";;;;;;;2.57;;0.45;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM391354;MM391354;CCC(C(=O)CF)=C(N)N;VHWQAGVWHJHFQT-UHFFFAOYSA-N;146.17;0.06;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nd_P2";;;;;;;-0.24;;-3.16;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM391355;MM391355;C=C1C=C(C#N)C(C)C1=O;VMPKDJODDWFIIT-UHFFFAOYSA-N;133.15;1.21;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNa_SN0";;;;;;;1.17;;-1.18;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM391356;MM391356;CCC(=O)C(CO)=C(N)N;QPXWQUCUYWBBQH-UHFFFAOYSA-N;144.17;-0.91;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_P3";;;;;;;-1.1;;-4.2;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM391357;MM391357;C=CC1=CC(=O)C(=O)C1C;CFQCHFMPQPBKRV-UHFFFAOYSA-N;136.15;0.89;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC3_SNa";;;;;;;2.57;;0.45;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM391358;MM391358;CNC(=N)C(CN)=C(C)C;IZXWGMMUYKYSQH-UHFFFAOYSA-N;141.22;0.48;;;;;DOPC;MDCG;27;1;"MARTINI bead: P3_C5";;;;;;;-0.33;;-6.14;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM391359;MM391359;CC1C(=O)C(=O)C=C1C#N;AMGLESJKGRKJAN-UHFFFAOYSA-N;135.12;0.22;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNa_SN0";;;;;;;1.17;;-1.18;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM391360;MM391360;CNC(=N)C(CO)=C(C)N;YGENQNUTMKVWRG-UHFFFAOYSA-N;143.19;-0.59;;;;;DOPC;MDCG;27;1;"MARTINI bead: P2_P2";;;;;;;-1.34;;-8.46;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM391361;MM391361;C=CC1=CC(=C)C(=C)C1N;JBVJULYXMMPSLU-UHFFFAOYSA-N;133.19;1.55;;;;;DOPC;MDCG;27;1;"MARTINI bead: SC3_SNd";;;;;;;2.57;;-0.6;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM391362;MM391362;CNC(=N)C(CN)=C(C)F;JWGFBBAXDQEVBB-UHFFFAOYSA-N;145.18;0.39;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nda_P2";;;;;;;-0.24;;-6.27;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM391363;MM391363;C=CC1=CC(=C)C(=N)N1C;UZFSMCGSDZPCHZ-UHFFFAOYSA-N;134.18;1.54;;;;;DOPC;MDCG;27;1;"MARTINI bead: SN0_SNd";;;;;;;1.17;;-3.88;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM391364;MM391364;CNC(=N)C(CO)=C(N)N;DVKJHWUFAUIVOI-UHFFFAOYSA-N;144.18;-1.7;;;;;DOPC;MDCG;27;1;"MARTINI bead: P2_P4";;;;;;;-2.29;;-9.19;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM391365;MM391365;C=CC1=CC(=C)C(=O)N1C;UAMOFSBLNHNHDR-UHFFFAOYSA-N;135.17;1.08;;;;;DOPC;MDCG;27;0;"MARTINI bead: SN0_SNda";;;;;;;1.17;;-1.13;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM391366;MM391366;N=C(NN)C(CF)=C(N)N;PIAULWJODFBRIB-UHFFFAOYSA-N;147.16;-1.47;;;;;DOPC;MDCG;27;1;"MARTINI bead: P4_Na";;;;;;;-1.19;;-6.92;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM391367;MM391367;C#CC1=CC(=O)C(=C)C1C;PYFWKNQQGVOFHT-UHFFFAOYSA-N;132.16;1.32;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNa_SC5";;;;;;;1.64;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM391368;MM391368;CC(C)=C(CO)C(=O)NO;CZSWTKGNTDXAFI-UHFFFAOYSA-N;145.16;-0.18;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda_P4";;;;;;;-1.19;;-4.91;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM391369;MM391369;C#CC1=CC(=C)C(=O)C1C;KOTJSOOZVSPECE-UHFFFAOYSA-N;132.16;1.32;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNa_SC5";;;;;;;1.64;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM391370;MM391370;CNC(=O)C(CO)=C(C)N;ANIZCOSZPPPSFZ-UHFFFAOYSA-N;144.17;-1.04;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_P2";;;;;;;-1.34;;-4.31;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM391371;MM391371;C#CC1=CC(=O)C(=O)C1C;ZXQSLNSDGLGOLS-UHFFFAOYSA-N;134.13;0.33;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNa_SC5";;;;;;;1.64;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM391372;MM391372;CC1(CO)CCC(CF)C1;ZZLOHCKXMGZPLW-UHFFFAOYSA-N;146.21;1.75;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC5_SC3";;;;;;;3.34;;0.48;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM391373;MM391373;C#CC1=CC(=C)C(=C)C1N;FOUOGGAKUMOHAB-UHFFFAOYSA-N;131.18;1;;;;;DOPC;MDCG;27;1;"MARTINI bead: SNd_SC5";;;;;;;1.64;;-1.34;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM391374;MM391374;CC(N)=C(CO)C(=O)NO;QKQQTJPZQXKQIN-UHFFFAOYSA-N;146.15;-1.28;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_P4";;;;;;;-2.01;;-5.13;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM391375;MM391375;C#CC1=CC(=C)C(=C)C1O;OYCBBXAJNRECNY-UHFFFAOYSA-N;132.16;1.03;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNda_SC5";;;;;;;1.64;;0.05;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM391376;MM391376;CNC(=O)C(CO)=C(N)N;ONHURVUJNIJBBE-UHFFFAOYSA-N;145.16;-2.15;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_P4";;;;;;;-2.29;;-5.95;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM391377;MM391377;C#CC1=CC(=C)C(=O)N1C;UYGLLQWYNNQVGD-UHFFFAOYSA-N;133.15;0.53;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNda_SN0";;;;;;;1.17;;-1.13;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM391378;MM391378;CCC1=CC(C)N(N)C1=N;PIHBOBUJWKUXHP-UHFFFAOYSA-N;139.2;0.88;;;;;DOPC;MDCG;27;1;"MARTINI bead: SN0_SP1";;;;;;;0.34;;-3.63;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM391379;MM391379;CNC(=O)C(CF)=C(N)N;MNIZCUFMLBNCRH-UHFFFAOYSA-N;147.15;-1.17;;;;;DOPC;MDCG;27;0;"MARTINI bead: P3_Na";;;;;;;-1.1;;-4.2;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM391380;MM391380;CCc1cn(C)n(C)c1=N;ZGYUGXVLVOMAAR-UHFFFAOYSA-N;139.2;0.41;;;;;DOPC;MDCG;27;1;"MARTINI bead: SN0_SP2";;;;;;;0.06;;-6.53;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM391381;MM391381;NC(N)=C(CF)C(=O)NO;REAUFMIGHPQGFY-UHFFFAOYSA-N;149.13;-1.41;;;;;DOPC;MDCG;27;0;"MARTINI bead: P4_Na";;;;;;;-1.19;;-4.76;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM391382;MM391382;Cn1cc(CN)c(=N)n1C;ASCKCMSUYYTNKI-UHFFFAOYSA-N;140.19;-0.7;;;;;DOPC;MDCG;27;1;"MARTINI bead: SP2_SP2";;;;;;;-1.34;;-8.47;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM391383;MM391383;C=C(OC)C(CO)=C(C)F;PYIPWVPIXKGJPS-UHFFFAOYSA-N;146.16;1.38;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_Nda";;;;;;;0.87;;-1.99;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM391384;MM391384;Cn1cc(CO)c(=N)n1C;ALTOSCKRTDJUID-UHFFFAOYSA-N;141.17;-0.66;;;;;DOPC;MDCG;27;1;"MARTINI bead: SP1_SP2";;;;;;;-1.06;;-7.8;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM391385;MM391385;COC(=O)C(CF)=C(C)C;ZFXZOFOEBLWTPU-UHFFFAOYSA-N;146.16;1.47;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_C4";;;;;;;1.37;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM391386;MM391386;CCc1cn(N)n(C)c1=N;YIEOJVOVHXRBPU-UHFFFAOYSA-N;140.19;-0.42;;;;;DOPC;MDCG;27;1;"MARTINI bead: SN0_SP3";;;;;;;-0.8;;-6.73;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM391387;MM391387;CCC(C(=O)OC)=C(C)N;KWZABWOTTQCERW-UHFFFAOYSA-N;143.19;0.8;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_P1";;;;;;;0.81;;-0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM391388;MM391388;Cn1c(=N)c(CO)cn1N;FJIXJWUZJFONFC-UHFFFAOYSA-N;142.16;-1.49;;;;;DOPC;MDCG;27;1;"MARTINI bead: SP3_SP1";;;;;;;-1.93;;-8.15;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM391389;MM391389;COC(=O)C(CO)=C(C)N;YILFFUSBNJPWIO-UHFFFAOYSA-N;145.16;-0.62;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_P1";;;;;;;-0.79;;-3.13;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM391390;MM391390;CCc1cn(O)n(C)c1=N;AKXSPWYTVXGFLP-UHFFFAOYSA-N;141.17;0.11;;;;;DOPC;MDCG;27;1;"MARTINI bead: SN0_SP2";;;;;;;0.06;;-4.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM391391;MM391391;COC(=O)C(CF)=C(N)N;FCOKZBISDHUJJS-UHFFFAOYSA-N;148.14;-0.74;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_Na";;;;;;;-0.24;;-3.24;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM391392;MM391392;Cn1c(=N)c(CN)cn1O;LKKQOPJDQKOBKH-UHFFFAOYSA-N;142.16;-1;;;;;DOPC;MDCG;27;1;"MARTINI bead: SP2_SP2";;;;;;;-1.34;;-6.76;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM391393;MM391393;COC(=O)C(CO)=C(F)F;PZYYVJHBFHQYBS-UHFFFAOYSA-N;152.1;0.3;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_N0";;;;;;;0.34;;-1.53;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM391394;MM391394;Cn1c(=N)c(CO)cn1O;YNGFZKGSAYQZEJ-UHFFFAOYSA-N;143.15;-0.96;;;;;DOPC;MDCG;27;1;"MARTINI bead: SP2_SP1";;;;;;;-1.06;;-6.07;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM391395;MM391395;C=C(CN)C(OC)=C(C)C;AYGCCNLLOAADPL-UHFFFAOYSA-N;141.21;1.44;;;;;DOPC;MDCG;27;1;"MARTINI bead: C4_P1";;;;;;;1.37;;-2.07;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM391396;MM391396;CCc1cn(C)n(N)c1=N;BDNOUPUENOHEEH-UHFFFAOYSA-N;140.19;-0.42;;;;;DOPC;MDCG;27;1;"MARTINI bead: SN0_SP3";;;;;;;-0.8;;-5.48;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM391397;MM391397;C=C(CN)C(OC)=C(F)F;HIURNPBJKCQVEA-UHFFFAOYSA-N;149.14;1.26;;;;;DOPC;MDCG;27;1;"MARTINI bead: C5_P1";;;;;;;0.81;;-2.61;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM391398;MM391398;Cn1cc(CO)c(=N)n1N;WOTFPFNPPFMRFT-UHFFFAOYSA-N;142.16;-1.49;;;;;DOPC;MDCG;27;1;"MARTINI bead: SP1_SP3";;;;;;;-1.93;;-6.78;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM391399;MM391399;COC(C(=O)CF)=C(C)N;UXWABPDSULMESP-UHFFFAOYSA-N;147.15;0.36;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_Na";;;;;;;0.04;;-2.54;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM391400;MM391400;Cn1cc(CF)c(=N)n1N;BUJYAPZFAKPFEW-UHFFFAOYSA-N;144.15;-0.51;;;;;DOPC;MDCG;27;1;"MARTINI bead: SNa_SP3";;;;;;;-1.1;;-6.17;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM391401;MM391401;CCC(=O)C(OC)=C(C)F;DZCMBCUILWBJGE-UHFFFAOYSA-N;146.16;1.81;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_C5";;;;;;;1.64;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM391402;MM391402;COC(C(=O)CF)=C(C)F;PRKNDRZZXHZKTB-UHFFFAOYSA-N;150.12;1.37;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_P2";;;;;;;0.54;;-1.09;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM391403;MM391403;CCc1cn(N)n(N)c1=N;VVVVGPOWVDJRCI-UHFFFAOYSA-N;141.18;-1.24;;;;;DOPC;MDCG;27;1;"MARTINI bead: SN0_SP3";;;;;;;-0.8;;-5.16;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM391404;MM391404;CCC(=O)C(OC)=C(N)N;OTTLQLFRXYIYJB-UHFFFAOYSA-N;144.17;-0.3;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_P2";;;;;;;-0.24;;-3.24;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM391405;MM391405;N=c1c(CO)cn(N)n1N;SDLDHRADJXAMOO-UHFFFAOYSA-N;143.15;-2.31;;;;;DOPC;MDCG;27;1;"MARTINI bead: SP1_SP3";;;;;;;-1.93;;-6.46;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM391406;MM391406;COC(C(=O)CO)=C(N)N;MRJOECWHEMKRJX-UHFFFAOYSA-N;146.15;-1.72;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_P2";;;;;;;-1.34;;-4.31;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM391407;MM391407;CCc1cn(C)n(O)c1=N;UKLNSCYJBUDOLE-UHFFFAOYSA-N;141.17;0.11;;;;;DOPC;MDCG;27;1;"MARTINI bead: SN0_SP2";;;;;;;0.06;;-4.86;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM391408;MM391408;CNC(=N)C(OC)=C(C)C;QSPBOAQAAGSDQR-UHFFFAOYSA-N;142.2;1.12;;;;;DOPC;MDCG;27;1;"MARTINI bead: P2_C5";;;;;;;0.54;;-5.49;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM391409;MM391409;Cn1cc(CN)c(=N)n1O;FOCIODKWONRQHM-UHFFFAOYSA-N;142.16;-1;;;;;DOPC;MDCG;27;1;"MARTINI bead: SP2_SP2";;;;;;;-1.34;;-6.72;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM391410;MM391410;COC(C(=N)NN)=C(C)C;KHOWMOJPTVJFSC-UHFFFAOYSA-N;143.19;0.37;;;;;DOPC;MDCG;27;1;"MARTINI bead: C3_P3";;;;;;;0.6;;-3.66;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM391411;MM391411;Cn1cc(CO)c(=N)n1O;BUSDHTBDBKABJF-UHFFFAOYSA-N;143.15;-0.96;;;;;DOPC;MDCG;27;1;"MARTINI bead: SP1_SP2";;;;;;;-1.06;;-6.04;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM391412;MM391412;CNC(=N)C(OC)=C(C)F;WRAAWCMAGPMSNQ-UHFFFAOYSA-N;146.17;1.03;;;;;DOPC;MDCG;27;1;"MARTINI bead: P2_C5";;;;;;;0.54;;-4.1;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM391413;MM391413;Cn1cc(CF)c(=N)n1O;LRNYTHSJVFBDQN-UHFFFAOYSA-N;145.14;0.01;;;;;DOPC;MDCG;27;1;"MARTINI bead: SNa_SP2";;;;;;;-0.24;;-5.36;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM391414;MM391414;C=NN(C)CC(C=O)OC;KJBUIUCCBREYCQ-UHFFFAOYSA-N;144.17;-0.25;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_P2";;;;;;;-0.24;;-3.24;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM391415;MM391415;CCc1cn(N)n(O)c1=N;JDPUKIRZYAQQSY-UHFFFAOYSA-N;142.16;-0.72;;;;;DOPC;MDCG;27;1;"MARTINI bead: SN0_SP2";;;;;;;0.06;;-4.55;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM391416;MM391416;N=c1c(CO)cn(N)n1O;ASNZSQDVSRYNNM-UHFFFAOYSA-N;144.13;-1.79;;;;;DOPC;MDCG;27;1;"MARTINI bead: SP1_SP2";;;;;;;-1.06;;-5.71;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM391417;MM391417;CNC(=O)C(OC)=C(C)F;QFXBCQJQGAOCRP-UHFFFAOYSA-N;147.15;0.58;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_C5";;;;;;;0.54;;-1.09;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM391418;MM391418;C=C(OC)C(OC)=C(C)F;NLQAVEAGFBBWDE-UHFFFAOYSA-N;146.16;1.99;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_C5";;;;;;;1.64;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM391419;MM391419;CCc1cn(O)n(O)c1=N;ZCYOVSLGCWPTAN-UHFFFAOYSA-N;143.15;-0.19;;;;;DOPC;MDCG;27;1;"MARTINI bead: SN0_SP2";;;;;;;0.06;;-3.27;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM391420;MM391420;C=C(OC)C(OC)=C(F)F;WLSVNYZZYFKGAE-UHFFFAOYSA-N;150.12;1.9;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_C5";;;;;;;1.64;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM391421;MM391421;CCc1cn(C)n(C)c1=O;TTWNVCDTNZBOBK-UHFFFAOYSA-N;140.19;0.29;;;;;DOPC;MDCG;27;0;"MARTINI bead: SN0_SP2";;;;;;;0.06;;-2.21;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM391422;MM391422;COC(=O)C(OC)=C(C)C;ZGKHICOQQQVAHJ-UHFFFAOYSA-N;144.17;1.1;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_C4";;;;;;;1.37;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM391423;MM391423;Cn1cc(CN)c(=O)n1C;BGPMJAGNROMDRP-UHFFFAOYSA-N;141.17;-0.82;;;;;DOPC;MDCG;27;1;"MARTINI bead: SP2_SP2";;;;;;;-1.34;;-5.42;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM391424;MM391424;COC(=O)C(OC)=C(C)F;QIYLFINHERMYDV-UHFFFAOYSA-N;148.13;1.01;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_C5";;;;;;;0.81;;-0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM391425;MM391425;Cn1cc(CO)c(=O)n1C;LMHUFLIOOKSJRG-UHFFFAOYSA-N;142.16;-0.78;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP1_SP2";;;;;;;-1.06;;-3.82;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM391426;MM391426;COC(=O)C(OC)=C(F)F;MGCHLXMESWQPNI-UHFFFAOYSA-N;152.1;0.91;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_C5";;;;;;;0.81;;-0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM391427;MM391427;CCc1cn(N)n(C)c1=O;FKABCHAHXDTPRG-UHFFFAOYSA-N;141.17;-0.54;;;;;DOPC;MDCG;27;0;"MARTINI bead: SN0_SP3";;;;;;;-0.8;;-2.99;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM391428;MM391428;C=C(C#N)C(CF)=C(C)C;LFOYOGPMSDDGBY-UHFFFAOYSA-N;139.17;2.37;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4_N0";;;;;;;2.5;;0.44;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM391429;MM391429;CC(CF)=NN=C(C)NN;RUDQQXNRJBDNSW-UHFFFAOYSA-N;146.17;0.21;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4_P3";;;;;;;0.23;;-1.03;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM391430;MM391430;C=C(C#N)C(CO)=C(C)F;IDWJCGDMXJVYEU-UHFFFAOYSA-N;141.15;1.3;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda_N0";;;;;;;1.17;;-1.13;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM391431;MM391431;CCc1cn(O)n(C)c1=O;HHNLRIMOYHQLMI-UHFFFAOYSA-N;142.16;-0.01;;;;;DOPC;MDCG;27;0;"MARTINI bead: SN0_SP2";;;;;;;0.06;;-2.21;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM391432;MM391432;CCC(C(=O)C#N)=C(C)C;DMDARFQBUOJMGF-UHFFFAOYSA-N;137.18;1.83;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1_P1";;;;;;;2.08;;0.48;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM391433;MM391433;Cn1c(=O)c(CO)cn1O;HZJBGNIZHLPGGF-UHFFFAOYSA-N;144.13;-1.08;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP2_SP1";;;;;;;-1.06;;-3.82;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM391434;MM391434;C=CC(=O)C(CF)=C(C)C;ISOZAEDVGRWABK-UHFFFAOYSA-N;142.17;2.05;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4_Na";;;;;;;2.2;;0.34;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM391435;MM391435;CCc1cn(C)n(N)c1=O;QKVCWEAHFXBXCU-UHFFFAOYSA-N;141.17;-0.54;;;;;DOPC;MDCG;27;0;"MARTINI bead: SN0_SP2";;;;;;;0.06;;-2.21;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM391436;MM391436;C=CC(=O)C(CO)=C(N)N;RKYUGRUDWQBPIV-UHFFFAOYSA-N;142.16;-1.14;;;;;DOPC;MDCG;27;0;"MARTINI bead: P3_Na";;;;;;;-1.1;;-4.2;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM391437;MM391437;C=CC(C)=NN=C(C)NN;LXUDQSYTPAXJRV-UHFFFAOYSA-N;140.19;0.43;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_C5";;;;;;;0.81;;-0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM391438;MM391438;C=C(C#N)C(OC)=C(C)F;GBWZBDYJTVNJTK-UHFFFAOYSA-N;141.15;1.91;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_N0";;;;;;;1.94;;0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM391439;MM391439;CCc1cn(N)n(N)c1=O;AJTABDCBPQQWQF-UHFFFAOYSA-N;142.16;-1.36;;;;;DOPC;MDCG;27;0;"MARTINI bead: SN0_SP3";;;;;;;-0.8;;-2.99;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM391440;MM391440;C=C(C=O)C(OC)=C(F)F;VEFMUTYRBDVPTJ-UHFFFAOYSA-N;148.11;1.5;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_Na";;;;;;;1.64;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM391441;MM391441;C=CC1=CCC(C)(CO)C1;YTFDDZHPUFFOGS-UHFFFAOYSA-N;138.21;1.89;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC5_SC3";;;;;;;3.34;;0.48;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM391442;MM391442;C=CC(=O)C(OC)=C(C)N;HCKRHPMAJWNDPR-UHFFFAOYSA-N;141.17;0.58;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_Na";;;;;;;0.04;;-2.54;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM391443;MM391443;C=CC(C=O)NC(=N)CF;QVRLOTFKKKPGIH-UHFFFAOYSA-N;144.15;0.28;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_Na";;;;;;;-0.24;;-3.24;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM391444;MM391444;COC(C(=O)C#N)=C(C)F;JEEUURLBRCUEES-UHFFFAOYSA-N;143.12;0.93;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_P1";;;;;;;0.81;;-0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM391445;MM391445;CCC#CC(=O)C=NNC;MILZEOITIWZOGN-UHFFFAOYSA-N;138.17;0.17;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_P2";;;;;;;0.54;;-1.09;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM391446;MM391446;C=CC(=O)C(OC)=C(N)N;RTHXGAKOBBKAHK-UHFFFAOYSA-N;142.16;-0.53;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_Na";;;;;;;-0.24;;-3.24;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM391447;MM391447;Cn1c(=O)onc(O)c1=O;MCSHAGVEMVMMKL-UHFFFAOYSA-N;144.09;-1.56;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP2_SP3";;;;;;;-2.2;;-9.31;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM391448;MM391448;COC(C(=O)C#N)=C(F)F;QRZPIZSSEDDHQB-UHFFFAOYSA-N;147.08;0.83;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_P1";;;;;;;0.81;;-0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM391449;MM391449;CNc1cn(C)n(C)c1=N;QPYLYXCKSSZCTM-UHFFFAOYSA-N;140.19;-0.12;;;;;DOPC;MDCG;27;1;"MARTINI bead: SNd_SP2";;;;;;;-0.24;;-5.38;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM391450;MM391450;C#CC(=C)C(CO)=C(C)F;OLHZPIHICHXXPE-UHFFFAOYSA-N;140.16;1.41;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda_N0";;;;;;;1.17;;-1.13;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM391451;MM391451;CNc1cn(N)n(C)c1=N;FROSJSFKWHRBGW-UHFFFAOYSA-N;141.18;-0.94;;;;;DOPC;MDCG;27;1;"MARTINI bead: SNd_SP3";;;;;;;-1.1;;-5.69;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM391452;MM391452;C#CC(=O)C(CO)=C(C)N;WJMNYCWPALCWAX-UHFFFAOYSA-N;139.15;-0.59;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_P1";;;;;;;-1.06;;-3.82;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM391453;MM391453;CC=NOC(C)C(=O)CC;NVXWHNFIGXFEBL-UHFFFAOYSA-N;143.19;1.38;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_C5";;;;;;;1.64;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM391454;MM391454;C#CC(=O)C(CO)=C(N)N;CMCLNKNSIAJRDE-UHFFFAOYSA-N;140.14;-1.69;;;;;DOPC;MDCG;27;0;"MARTINI bead: P3_P1";;;;;;;-1.93;;-4.72;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM391455;MM391455;CNc1cn(C)n(C)c1=O;XCYOLJQRJAFCCB-UHFFFAOYSA-N;141.17;-0.23;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNd_SP2";;;;;;;-0.24;;-3.16;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM391456;MM391456;C#CC(=O)C(CF)=C(N)N;NYFUVVZCBVZYFZ-UHFFFAOYSA-N;142.13;-0.71;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_Na";;;;;;;-0.24;;-3.24;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM391457;MM391457;CNc1cn(N)n(C)c1=O;GZZOAPQAAOBYFA-UHFFFAOYSA-N;142.16;-1.06;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNd_SP3";;;;;;;-1.1;;-3.93;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM391458;MM391458;C#CC(=O)C(OC)=C(C)C;NHOWQDASHUIMRC-UHFFFAOYSA-N;138.17;1.13;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4_P1";;;;;;;1.37;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM391459;MM391459;CC#CC=NN=C(C)NN;MDLALRRRYNDJDE-UHFFFAOYSA-N;138.17;-0.12;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1_P3";;;;;;;0.94;;0.03;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM391460;MM391460;C#CC(=O)C(OC)=C(C)F;HZAQFOXKFFSHOU-UHFFFAOYSA-N;142.13;1.04;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_P1";;;;;;;0.81;;-0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM391461;MM391461;CNc1cn(C)n(N)c1=O;CBJFRPLMIGBDBG-UHFFFAOYSA-N;142.16;-1.06;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNd_SP2";;;;;;;-0.24;;-3.16;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM391462;MM391462;C#CC(=O)C(OC)=C(F)F;PXGYTGGOFXISBB-UHFFFAOYSA-N;146.09;0.94;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_P1";;;;;;;0.81;;-0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM391463;MM391463;CNc1cn(N)n(N)c1=O;QFFUYZYZSDCRAE-UHFFFAOYSA-N;143.15;-1.88;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNd_SP3";;;;;;;-1.1;;-3.93;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM391464;MM391464;C=C(CO)C(C#N)=C(C)C;IUEDRCNQTLHAHS-UHFFFAOYSA-N;137.18;1.39;;;;;DOPC;MDCG;27;0;"MARTINI bead: C3_P3";;;;;;;0.6;;-0.8;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM391465;MM391465;C=CCNN=CC(=O)C=C;AOYVLTKAVOIQQE-UHFFFAOYSA-N;138.17;0.5;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nd_Na";;;;;;;0.87;;-1.88;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM391466;MM391466;C=C(CO)C(C=O)=C(C)N;ZSNHHFCXFLWXPD-UHFFFAOYSA-N;141.17;-0.03;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda_P2";;;;;;;-0.24;;-3.31;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM391467;MM391467;NC(=O)C(O)(CO)C(=O)O;PKUJSLZIAVHHDC-UHFFFAOYSA-N;149.1;-2.72;;;;;DOPC;MDCG;27;0;"MARTINI bead: P3_P4";;;;;;;-3.15;;-10.24;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM391468;MM391468;C=C(CO)C(C=O)=C(F)F;JTYYEKDEPQNWMJ-UHFFFAOYSA-N;148.11;0.88;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda_Na";;;;;;;0.87;;-1.99;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM391469;MM391469;COc1cn(N)n(C)c1=N;MYFHAKGDGOKDAZ-UHFFFAOYSA-N;142.16;-0.97;;;;;DOPC;MDCG;27;1;"MARTINI bead: SNa_SP3";;;;;;;-1.1;;-7.61;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM391470;MM391470;CC(F)=C(C#N)C(=O)CF;OPRFXFPLFVYXSZ-UHFFFAOYSA-N;145.11;1.29;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_P2";;;;;;;0.54;;-1.09;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM391471;MM391471;COc1cn(O)n(C)c1=N;NQHVXGGZNOYSJM-UHFFFAOYSA-N;143.15;-0.45;;;;;DOPC;MDCG;27;1;"MARTINI bead: SNa_SP2";;;;;;;-0.24;;-5.47;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM391472;MM391472;CCC(=O)C(C=O)=C(N)N;ZMQWCOJZHPCUQL-UHFFFAOYSA-N;142.16;-0.71;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_P3";;;;;;;-0.33;;-2.01;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM391473;MM391473;COc1cn(C)n(N)c1=N;CTJKTRXGCBVJOE-UHFFFAOYSA-N;142.16;-0.97;;;;;DOPC;MDCG;27;1;"MARTINI bead: SNa_SP3";;;;;;;-1.1;;-6.29;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM391474;MM391474;N#CC(C(=O)CO)=C(N)N;OVXLZXQQXUJOGT-UHFFFAOYSA-N;141.13;-1.8;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_P2";;;;;;;-1.06;;-3.82;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM391475;MM391475;COc1cn(N)n(N)c1=N;DVIDERRWZREFOB-UHFFFAOYSA-N;143.15;-1.79;;;;;DOPC;MDCG;27;1;"MARTINI bead: SNa_SP3";;;;;;;-1.1;;-5.99;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM391476;MM391476;NC(N)=C(C=O)C(=O)CF;VVQAAWRSWZMNQI-UHFFFAOYSA-N;146.12;-1.15;;;;;DOPC;MDCG;27;0;"MARTINI bead: P3_Na";;;;;;;-1.1;;-4.2;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM391477;MM391477;COc1cn(N)n(O)c1=N;UZCUAVVFAXJGOX-UHFFFAOYSA-N;144.13;-1.27;;;;;DOPC;MDCG;27;1;"MARTINI bead: SNa_SP2";;;;;;;-0.24;;-5.2;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM391478;MM391478;CCC(C)OC(=NN)NN;LNJACWFPABWLAA-UHFFFAOYSA-N;146.19;-0.51;;;;;DOPC;MDCG;27;0;"MARTINI bead: P3_C4";;;;;;;0.23;;-1.03;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM391479;MM391479;COc1cn(C)n(C)c1=O;HMQIRGRRDCIBMI-UHFFFAOYSA-N;142.16;-0.27;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNa_SP2";;;;;;;-0.24;;-3.24;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM391480;MM391480;C=CC(C(=N)NC)=C(N)N;HXEKWCHFGOPMCK-UHFFFAOYSA-N;140.19;-0.5;;;;;DOPC;MDCG;27;1;"MARTINI bead: P3_Nd";;;;;;;-1.1;;-7.91;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM391481;MM391481;COc1cn(N)n(C)c1=O;OLOYKPMCCDUAPQ-UHFFFAOYSA-N;143.15;-1.09;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNa_SP3";;;;;;;-1.1;;-4.2;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM391482;MM391482;C=CC(C(=N)NO)=C(N)N;BNKOLKBENMDQIR-UHFFFAOYSA-N;142.16;-0.74;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_P4";;;;;;;-1.19;;-6.35;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM391483;MM391483;COc1cn(O)n(C)c1=O;ITZYHOPQSXBOLV-UHFFFAOYSA-N;144.13;-0.57;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNa_SP2";;;;;;;-0.24;;-3.24;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM391484;MM391484;CNC(=O)C(C=O)=C(C)N;FARLZSHRKIIURC-UHFFFAOYSA-N;142.16;-0.84;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_P1";;;;;;;-1.06;;-3.82;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM391485;MM391485;COc1cn(C)n(N)c1=O;NUYIUHNTJXZGSM-UHFFFAOYSA-N;143.15;-1.09;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNa_SP2";;;;;;;-0.24;;-3.24;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM391486;MM391486;C=CC(C(=O)NC)=C(C)F;SBSYSROOWQSUAA-UHFFFAOYSA-N;143.16;1.16;;;;;DOPC;MDCG;27;0;"MARTINI bead: P3_C3";;;;;;;0.6;;-0.8;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM391487;MM391487;COc1cn(N)n(N)c1=O;NSWAVFUUFHLUAX-UHFFFAOYSA-N;144.13;-1.91;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNa_SP3";;;;;;;-1.1;;-4.2;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM391488;MM391488;CNC(=O)C(C#N)=C(C)F;CMVAFVMMQFDHFE-UHFFFAOYSA-N;142.13;0.5;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_C5";;;;;;;0.54;;-1.09;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM391489;MM391489;C=CC(=C)C=NNC=NN;SFWKHFPWAXZURS-UHFFFAOYSA-N;138.17;0.21;;;;;DOPC;MDCG;27;0;"MARTINI bead: P4_C3";;;;;;;0.52;;-1.59;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM391490;MM391490;CC(CF)OC(=NN)NN;TUBGTFQZKYRGCK-UHFFFAOYSA-N;150.16;-0.95;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_P2";;;;;;;-0.24;;-3.24;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM391491;MM391491;CC=Cn1onc(O)c1=O;IJPSFJANRCTTFJ-UHFFFAOYSA-N;142.11;0.03;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP1_SP1";;;;;;;-0.79;;-7.6;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM391492;MM391492;CNC(=O)C(C=O)=C(N)N;PSBWKBMNYKRCGO-UHFFFAOYSA-N;143.15;-1.94;;;;;DOPC;MDCG;27;0;"MARTINI bead: P3_P2";;;;;;;-2.2;;-5.19;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM391493;MM391493;O=C(O)C(=O)C(CO)CO;PLNCEPSXQNLXFQ-UHFFFAOYSA-N;148.11;-1.76;;;;;DOPC;MDCG;27;0;"MARTINI bead: P3_P2";;;;;;;-2.2;;-9.31;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM391494;MM391494;C=C(OC)C(C#N)=C(C)N;MWDHTGQCBHTXJQ-UHFFFAOYSA-N;138.17;0.9;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_Nd";;;;;;;0.87;;-1.88;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM391495;MM391495;C=CC(F)C(CC)=NNC;PFZBKBFRMSEVKS-UHFFFAOYSA-N;144.19;1.5;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nd_Na";;;;;;;0.87;;-1.88;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM391496;MM391496;C=C(OC)C(C#N)=C(C)F;UYIVCKXSEDIXNT-UHFFFAOYSA-N;141.15;1.91;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_C5";;;;;;;1.64;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM391497;MM391497;C=CC1=CC(C)C(C)C1=C;RMUFPGFQZXXJBL-UHFFFAOYSA-N;134.22;2.94;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC3_SC4";;;;;;;3.9;;0.47;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM391498;MM391498;C=C(OC)C(C#N)=C(N)N;OISVLLUAJZSRIE-UHFFFAOYSA-N;139.16;-0.2;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_P1";;;;;;;0.04;;-2.54;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM391499;MM391499;C=CC1=CC(C)C(N)C1=C;SHGVZMKROJSSLP-UHFFFAOYSA-N;135.21;1.63;;;;;DOPC;MDCG;27;1;"MARTINI bead: SC3_SNd";;;;;;;2.57;;-1.18;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM391500;MM391500;COC(=O)C(C#N)=C(C)F;FPWSTGUBFSRXPR-UHFFFAOYSA-N;143.12;0.93;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_C5";;;;;;;0.81;;-0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM391501;MM391501;C=C1C(=C)C2(O)CC2C1C;ZRDODSLGONEMAR-UHFFFAOYSA-N;136.19;1.5;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNda_SC3";;;;;;;2.57;;0.44;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM391502;MM391502;C=C(C#N)C(C=O)=C(C)C;VBFXFZIRZMOEEP-UHFFFAOYSA-N;135.17;1.6;;;;;DOPC;MDCG;27;0;"MARTINI bead: N0_N0";;;;;;;1.47;;-0.05;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM391503;MM391503;C=C1C(C#N)=CC(C)C1O;DFRVDWRQTBOBQG-UHFFFAOYSA-N;135.17;1;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC5_SNda";;;;;;;1.64;;0.05;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM391504;MM391504;C=C(C#N)C(C=O)=C(C)N;VQZZFABNABKPOW-UHFFFAOYSA-N;136.15;0.5;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_N0";;;;;;;0.34;;-1.53;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM391505;MM391505;C=CC(=O)C(C=C)=C(C)N;BFPZECYZHJNCQI-UHFFFAOYSA-N;137.18;1.16;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nd_Na";;;;;;;0.87;;-1.88;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM391506;MM391506;C=C1C(C#N)=CC(C)C1F;LUPCUDDBHKVEJY-UHFFFAOYSA-N;137.16;1.98;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC5_SC5";;;;;;;2.41;;0.64;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM391507;MM391507;CC(F)=C(C#N)C(=O)C#N;VOPQXCDVVXZQJM-UHFFFAOYSA-N;138.1;0.85;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_P1";;;;;;;0.81;;-0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM391508;MM391508;C=CC1=CC(C)N(C)C1=N;RKQAAGHCBFOHAT-UHFFFAOYSA-N;136.2;1.41;;;;;DOPC;MDCG;27;1;"MARTINI bead: SP1_SNd";;;;;;;0.04;;-6.17;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM391509;MM391509;O=CC(=O)C(C=O)=C(F)F;ZMVSVWQPASLOJY-UHFFFAOYSA-N;148.06;0.1;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_Na";;;;;;;0.87;;-2.22;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM391510;MM391510;C=CC1=CC(C)N(N)C1=N;GCNHQPAZORWWDV-UHFFFAOYSA-N;137.19;0.65;;;;;DOPC;MDCG;27;1;"MARTINI bead: SP1_SP1";;;;;;;-0.79;;-4.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM391511;MM391511;C#CC(=O)C(C#N)=C(C)F;ZNANSAQIXDXRQN-UHFFFAOYSA-N;137.11;0.96;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_P1";;;;;;;0.81;;-0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM391512;MM391512;C=C1C(C)C(=C)C2(O)CC12;PIQCWHNIZOVEJB-UHFFFAOYSA-N;136.19;1.5;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC3_SNda";;;;;;;2.57;;0.44;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM391513;MM391513;C#CC(C(=C)CN)=C(C)F;CAKYHIQVUSBDCC-UHFFFAOYSA-N;139.17;1.38;;;;;DOPC;MDCG;27;1;"MARTINI bead: C4_P1";;;;;;;1.37;;-2.11;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM391514;MM391514;C=CC1=CC(C)N(C)C1=O;CWHAKETUSQKTCT-UHFFFAOYSA-N;137.18;0.96;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP1_SNda";;;;;;;0.04;;-2.73;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM391515;MM391515;C#CC(C(=O)CF)=C(C)F;BHGMUDGLVXXLLV-UHFFFAOYSA-N;144.12;1.4;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4_P2";;;;;;;1.09;;-0.38;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM391516;MM391516;C=Cc1cn(C)n(C)c1=N;LBKWLXOTSWRJQV-UHFFFAOYSA-N;137.19;0.49;;;;;DOPC;MDCG;27;1;"MARTINI bead: SN0_SP2";;;;;;;0.06;;-6.22;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM391517;MM391517;C#CC(C(=O)CF)=C(N)N;GMRVEZVACOHUPD-UHFFFAOYSA-N;142.13;-0.71;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_Na";;;;;;;-0.24;;-3.24;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM391518;MM391518;Cn1cc(C=O)c(=N)n1C;KLQCYEGKHBYHKC-UHFFFAOYSA-N;139.16;-0.34;;;;;DOPC;MDCG;27;1;"MARTINI bead: SP1_SP2";;;;;;;-1.06;;-5.93;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM391519;MM391519;C#CC(C(=N)NC)=C(N)N;OOFGELXELNZNRU-UHFFFAOYSA-N;138.17;-1.05;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_P4";;;;;;;-1.19;;-7.88;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM391520;MM391520;Cn1cc(C#N)c(=N)n1C;GFCQSHPNOAKRTF-UHFFFAOYSA-N;136.16;-0.29;;;;;DOPC;MDCG;27;1;"MARTINI bead: SP1_SP2";;;;;;;-1.06;;-5.12;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM391521;MM391521;C#CC(C(=N)NN)=C(N)N;BLJMOMFTEKWYJH-UHFFFAOYSA-N;139.16;-1.81;;;;;DOPC;MDCG;27;1;"MARTINI bead: P4_P1";;;;;;;-2.01;;-6.81;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM391522;MM391522;C=Cc1cn(N)n(C)c1=N;ODEYDZZVCXHQPP-UHFFFAOYSA-N;138.17;-0.34;;;;;DOPC;MDCG;27;1;"MARTINI bead: SP3_SN0";;;;;;;-0.8;;-6.47;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM391523;MM391523;C#CC(C(=O)NC)=C(C)C;YRTFITWDLZKYLD-UHFFFAOYSA-N;137.18;0.7;;;;;DOPC;MDCG;27;0;"MARTINI bead: P3_C4";;;;;;;0.23;;-1.03;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM391524;MM391524;C=Cc1cn(O)n(C)c1=N;BXFCKFFBHAUYGJ-UHFFFAOYSA-N;139.16;0.19;;;;;DOPC;MDCG;27;1;"MARTINI bead: SP2_SN0";;;;;;;0.06;;-4.54;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM391525;MM391525;COC(C)OC(=NN)NN;RJMJVGWTTKVSIS-UHFFFAOYSA-N;148.17;-1.31;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_P3";;;;;;;-1.1;;-4.2;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM391526;MM391526;C=Cc1cn(C)n(N)c1=N;KYROWOKNVBBJPA-UHFFFAOYSA-N;138.17;-0.34;;;;;DOPC;MDCG;27;1;"MARTINI bead: SN0_SP3";;;;;;;-0.8;;-5.11;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM391527;MM391527;C#CC(C(=O)NN)=C(C)F;DMSHBPGZILOYQZ-UHFFFAOYSA-N;142.13;-0.15;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4_P4";;;;;;;0.15;;-2.18;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM391528;MM391528;C=Cc1cn(N)n(N)c1=N;XBCUXKPQWVJEEV-UHFFFAOYSA-N;139.16;-1.16;;;;;DOPC;MDCG;27;1;"MARTINI bead: SN0_SP3";;;;;;;-0.8;;-4.83;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM391529;MM391529;C#CC(C(=O)OC)=C(C)F;NGLXBSSOBWXXEF-UHFFFAOYSA-N;142.13;1.04;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_C4";;;;;;;1.37;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM391530;MM391530;C=Cc1cn(C)n(O)c1=N;PAWJXXUPSCJGJK-UHFFFAOYSA-N;139.16;0.19;;;;;DOPC;MDCG;27;1;"MARTINI bead: SN0_SP2";;;;;;;0.06;;-4.51;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM391531;MM391531;C#CC(C(=O)C=O)=C(C)N;ATBLLEQKZDYIPB-UHFFFAOYSA-N;137.14;-0.38;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda_P2";;;;;;;-0.24;;-3.31;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM391532;MM391532;C=Cc1cn(N)n(O)c1=N;RXHFXNMAPCGBAL-UHFFFAOYSA-N;140.15;-0.64;;;;;DOPC;MDCG;27;1;"MARTINI bead: SN0_SP2";;;;;;;0.06;;-4.23;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM391533;MM391533;C#CC(C(=O)C=O)=C(F)F;ZJBFSTRERGDUDU-UHFFFAOYSA-N;144.08;0.54;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_P2";;;;;;;0.54;;-1.09;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM391534;MM391534;CNN=Cc1noc(=O)o1;NCBXNMVXVVVKLY-UHFFFAOYSA-N;143.1;-0.82;;;;;DOPC;MDCG;27;0;"MARTINI bead: P3_SP2";;;;;;;-2.2;;-5.19;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM391535;MM391535;C#CC(=O)C(C#C)=C(C)F;BJZYTWUTFALJKA-UHFFFAOYSA-N;136.13;1.07;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4_P1";;;;;;;1.37;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM391536;MM391536;C=Cc1cn(C)n(C)c1=O;WMTRAEBNSMOEIW-UHFFFAOYSA-N;138.17;0.37;;;;;DOPC;MDCG;27;0;"MARTINI bead: SN0_SP2";;;;;;;0.06;;-2.21;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM391537;MM391537;CC=C(C)C(CN)=C(C)F;ZMVSZTMFLGSLOR-UHFFFAOYSA-N;143.21;2.15;;;;;DOPC;MDCG;27;1;"MARTINI bead: C1_P2";;;;;;;1.8;;-1;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM391538;MM391538;Cn1cc(C=O)c(=O)n1C;AKKAKCDRYWIFQV-UHFFFAOYSA-N;140.14;-0.46;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP1_SP2";;;;;;;-1.06;;-3.82;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM391539;MM391539;CC(=CF)C(CN)=C(C)F;NUTINLCGRQPGTK-UHFFFAOYSA-N;147.17;2.06;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nda_Na";;;;;;;0.87;;-4.1;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM391540;MM391540;Cn1cc(C#N)c(=O)n1C;KHXSUGUMJYDIDG-UHFFFAOYSA-N;137.14;-0.4;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP1_SP2";;;;;;;-1.06;;-3.82;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM391541;MM391541;CC(=NO)C(CN)=C(C)C;HLHQQDCNGPOAQN-UHFFFAOYSA-N;142.2;1.13;;;;;DOPC;MDCG;27;1;"MARTINI bead: C4_P3";;;;;;;0.23;;-2.82;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM391542;MM391542;C=CC(C)OC(=NN)NN;WKCNUXYQTZKUSR-UHFFFAOYSA-N;144.18;-0.73;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_N0";;;;;;;0.06;;-2.21;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM391543;MM391543;C=Cc1cn(N)n(C)c1=O;WQUUFTQYWONBOE-UHFFFAOYSA-N;139.16;-0.46;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP3_SN0";;;;;;;-0.8;;-2.99;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM391544;MM391544;CNC(=NN)ON(C)C=O;NGNLRMXBHMVWRK-UHFFFAOYSA-N;146.15;-1.54;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_P2";;;;;;;-1.34;;-4.31;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM391545;MM391545;C=Cc1cn(O)n(C)c1=O;XWCVKYRCBJJAHT-UHFFFAOYSA-N;140.14;0.07;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP2_SN0";;;;;;;0.06;;-2.21;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM391546;MM391546;CNC(C#N)C#CC(C)C;QSNMJICHLIVWFR-UHFFFAOYSA-N;136.2;0.76;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_C4";;;;;;;1.09;;-0.38;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM391547;MM391547;Cn1c(=O)c(C#N)cn1O;BECAOWGCHXORJH-UHFFFAOYSA-N;139.11;-0.7;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP2_SP1";;;;;;;-1.06;;-3.82;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM391548;MM391548;COC(C(C)=NN)=C(C)C;DPNCTPACGCBJLB-UHFFFAOYSA-N;142.2;1.26;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4_Nd";;;;;;;2.2;;0.32;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM391549;MM391549;C=Cc1cn(C)n(N)c1=O;YCZXRHKMBRPAHP-UHFFFAOYSA-N;139.16;-0.46;;;;;DOPC;MDCG;27;0;"MARTINI bead: SN0_SP2";;;;;;;0.06;;-2.21;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM391550;MM391550;COC(C(C)=NN)=C(C)N;FJSHLMZAICYJQX-UHFFFAOYSA-N;143.19;0.16;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_Nda";;;;;;;0.04;;-2.73;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM391551;MM391551;C=Cc1cn(N)n(N)c1=O;ZCMXYQMZCIZPTD-UHFFFAOYSA-N;140.15;-1.28;;;;;DOPC;MDCG;27;0;"MARTINI bead: SN0_SP3";;;;;;;-0.8;;-2.99;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM391552;MM391552;COC(C(C)=NO)=C(C)F;VLUMFDYPOUYHOO-UHFFFAOYSA-N;147.15;1.68;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_P1";;;;;;;0.81;;-0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM391553;MM391553;C=NN=C(C)C(C=O)CC;CIJDNIFUUVYXHP-UHFFFAOYSA-N;140.19;1.29;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_C5";;;;;;;2.41;;0.64;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM391554;MM391554;CC(=CF)C(C=O)=C(C)C;UUTSCKPGQYVEDP-UHFFFAOYSA-N;142.17;2.4;;;;;DOPC;MDCG;27;0;"MARTINI bead: N0_C4";;;;;;;2.5;;0.44;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM391555;MM391555;CC#CC(F)C(C=O)=NO;LJOSKXKIXDMMSN-UHFFFAOYSA-N;143.12;0.38;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_P1";;;;;;;0.81;;-4.93;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM391556;MM391556;C=CC(C(C)=CF)=C(F)F;YOONACDINREFQV-UHFFFAOYSA-N;148.13;3.2;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4_C3";;;;;;;3.9;;0.47;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM391557;MM391557;CC(F)C(=O)NOC=NO;JCOFJPIOJRFPRW-UHFFFAOYSA-N;150.11;-0.19;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_P3";;;;;;;-0.33;;-6.03;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM391558;MM391558;N#CC(C(F)=CF)=C(N)N;RZXMCBOMCULSNY-UHFFFAOYSA-N;145.11;0.42;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_C5";;;;;;;0.81;;-0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM391559;MM391559;OC=C1C=C(O)C(F)=N1;FTMWXOQNUWKOLB-UHFFFAOYSA-N;129.09;1.21;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNda_SNda";;;;;;;0.87;;-6.55;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM391560;MM391560;CC(=NO)C(C#N)=C(N)N;DWLIIJPKJPZDIM-UHFFFAOYSA-N;140.15;-0.51;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_P1";;;;;;;-0.79;;-3.13;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM391561;MM391561;C#CC1=CC(C)C(C)C1=C;RNORNVQGGNBQTJ-UHFFFAOYSA-N;132.21;2.39;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC5_SC4";;;;;;;2.97;;0.45;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM391562;MM391562;C#CC(C(C)=NO)=C(C)F;QCQKOPUOAILHJJ-UHFFFAOYSA-N;141.15;1.71;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4_P1";;;;;;;1.37;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM391563;MM391563;C#CC1=CC(C)C(N)C1=C;MPQJQXFEPHPTLD-UHFFFAOYSA-N;133.19;1.08;;;;;DOPC;MDCG;27;1;"MARTINI bead: SC5_SNd";;;;;;;1.64;;-2.33;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM391564;MM391564;C#CC(C(C)=NO)=C(N)N;TXCLVYRUMMYMCJ-UHFFFAOYSA-N;139.16;-0.4;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_P1";;;;;;;-0.79;;-3.13;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM391565;MM391565;Cn1nc(N)c(=NN)n1N;URQGJMIUIMFOGJ-UHFFFAOYSA-N;143.15;-2.71;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP3_SP3";;;;;;;-3.07;;-6.15;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM391566;MM391566;CC(CO)=C(CN)C(C)C;WSAKEJDXISMXON-UHFFFAOYSA-N;143.23;0.91;;;;;DOPC;MDCG;27;1;"MARTINI bead: C4_P3";;;;;;;0.23;;-2.94;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM391567;MM391567;C#CC1=CC(C)C(F)C1=C;VXNNLZBZCWUCGK-UHFFFAOYSA-N;136.17;2.09;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC5_SC5";;;;;;;2.41;;0.64;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM391568;MM391568;CC(CF)=C(CN)C(C)C;YAXYPGFJNYYNEU-UHFFFAOYSA-N;145.22;1.89;;;;;DOPC;MDCG;27;1;"MARTINI bead: C4_Na";;;;;;;2.2;;-1.5;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM391569;MM391569;C#CC1=CC(C)N(C)C1=N;MUIOVURFTKHICX-UHFFFAOYSA-N;134.18;0.86;;;;;DOPC;MDCG;27;1;"MARTINI bead: SP1_SNd";;;;;;;0.04;;-5.22;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM391570;MM391570;CC(CO)=C(CO)C(C)C;WIYQRPSBVYKSSO-UHFFFAOYSA-N;144.21;0.94;;;;;DOPC;MDCG;27;0;"MARTINI bead: P3_C4";;;;;;;0.23;;-1.03;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM391571;MM391571;C#Cc1cn(C)n(C)c1=N;WXGUAUUADQJWOV-UHFFFAOYSA-N;135.17;-0.18;;;;;DOPC;MDCG;27;1;"MARTINI bead: SP1_SP2";;;;;;;-1.06;;-6.96;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM391572;MM391572;CC(CF)=C(CO)C(C)C;IUOBOWIXDUDUOY-UHFFFAOYSA-N;146.21;1.92;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4_Na";;;;;;;2.2;;0.34;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM391573;MM391573;C#Cc1cn(N)n(C)c1=N;OYLNMKXSULPRRX-UHFFFAOYSA-N;136.16;-1;;;;;DOPC;MDCG;27;1;"MARTINI bead: SP3_SP1";;;;;;;-1.93;;-7.38;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM391574;MM391574;CC(CN)=C(CF)C(C)C;RFYGGXVUSPYFST-UHFFFAOYSA-N;145.22;1.89;;;;;DOPC;MDCG;27;1;"MARTINI bead: C1_P2";;;;;;;1.8;;-1.13;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM391575;MM391575;C#Cc1cn(O)n(C)c1=N;QHOPGYILFYFOFU-UHFFFAOYSA-N;137.14;-0.48;;;;;DOPC;MDCG;27;1;"MARTINI bead: SP2_SP1";;;;;;;-1.06;;-5.18;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM391576;MM391576;CC(CF)=C(CF)C(C)C;AXYMDJNIOFDWEC-UHFFFAOYSA-N;148.2;2.9;;;;;DOPC;MDCG;27;0;"MARTINI bead: C3_C5";;;;;;;3.34;;0.48;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM391577;MM391577;C#Cc1cn(C)n(N)c1=N;CJLAPKZZPWHIPF-UHFFFAOYSA-N;136.16;-1;;;;;DOPC;MDCG;27;1;"MARTINI bead: SP1_SP3";;;;;;;-1.93;;-5.91;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM391578;MM391578;CC(CF)=C(CN)C(C)N;AIWITOXRLVGPNX-UHFFFAOYSA-N;146.21;0.58;;;;;DOPC;MDCG;27;1;"MARTINI bead: P2_Nda";;;;;;;-0.24;;-5.62;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM391579;MM391579;C#Cc1cn(C)n(O)c1=N;GWTBRMXHSCKEAC-UHFFFAOYSA-N;137.14;-0.48;;;;;DOPC;MDCG;27;1;"MARTINI bead: SP1_SP2";;;;;;;-1.06;;-5.18;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM391580;MM391580;CC(CF)=C(CF)C(C)N;WOELKSZQJFNBOL-UHFFFAOYSA-N;149.18;1.59;;;;;DOPC;MDCG;27;1;"MARTINI bead: Na_Nda";;;;;;;0.87;;-4.38;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM391581;MM391581;C#Cc1cn(N)n(O)c1=N;HWMVUUPFOWMBEB-UHFFFAOYSA-N;138.13;-1.3;;;;;DOPC;MDCG;27;1;"MARTINI bead: SP1_SP2";;;;;;;-1.06;;-4.88;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM391582;MM391582;CCC(=C(C)CF)C(C)O;MAIGDYOXSYFACQ-UHFFFAOYSA-N;146.21;2.06;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4_Na";;;;;;;2.2;;0.34;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM391583;MM391583;C#Cc1cn(C)n(C)c1=O;JSUMRHUAVAKWNB-UHFFFAOYSA-N;136.15;-0.29;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP1_SP2";;;;;;;-1.06;;-3.82;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM391584;MM391584;CC(CF)=C(CN)C(C)O;VMXDBSFJHKLYII-UHFFFAOYSA-N;147.19;0.61;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nda_P2";;;;;;;-0.24;;-5.17;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM391585;MM391585;C#Cc1cn(N)n(C)c1=O;CGYFEWLIBNJQJW-UHFFFAOYSA-N;137.14;-1.12;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP3_SP1";;;;;;;-1.93;;-4.72;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM391586;MM391586;CCC(C)=C(CF)C(C)O;RUHSEAPSNLMLAI-UHFFFAOYSA-N;146.21;2.06;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1_P1";;;;;;;2.08;;0.48;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM391587;MM391587;C#Cc1cn(O)n(C)c1=O;HYTAIECTRUVYQB-UHFFFAOYSA-N;138.13;-0.59;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP2_SP1";;;;;;;-1.06;;-3.82;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM391588;MM391588;CC(CF)=C(CF)C(C)O;FYHZHRABCZQXFH-UHFFFAOYSA-N;150.17;1.62;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_C5";;;;;;;0.81;;-0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM391589;MM391589;C#Cc1cn(C)n(N)c1=O;CFTBWMJOHNBVPS-UHFFFAOYSA-N;137.14;-1.12;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP1_SP2";;;;;;;-1.06;;-3.82;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM391590;MM391590;CCC(=C(C)CN)C(C)F;JMABOUXPJWSMTK-UHFFFAOYSA-N;145.22;2.03;;;;;DOPC;MDCG;27;1;"MARTINI bead: C1_P2";;;;;;;1.8;;-1.13;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM391591;MM391591;C#Cc1cn(N)n(N)c1=O;HLCPWSCPINEJBU-UHFFFAOYSA-N;138.13;-1.94;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP1_SP3";;;;;;;-1.93;;-4.72;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM391592;MM391592;CCC(=C(C)CF)C(C)F;HSVFMPIVXNPMHU-UHFFFAOYSA-N;148.2;3.04;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1_Na";;;;;;;2.91;;0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM391593;MM391593;Cn1on(N)c(=N)c1=NN;MJRRINUJHLGTGE-UHFFFAOYSA-N;144.14;-2.61;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP3_SP2";;;;;;;-2.2;;-5.19;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM391594;MM391594;CCC(C)=C(CN)C(C)F;NDEUIFBEQSVWAG-UHFFFAOYSA-N;145.22;2.03;;;;;DOPC;MDCG;27;1;"MARTINI bead: C5_C5";;;;;;;2.41;;0.09;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM391595;MM391595;NC(=O)C=C(N)C(=O)O;SPQIOSNDBKICOH-UHFFFAOYSA-N;130.1;-1.6;;;;;DOPC;MDCG;27;0;"MARTINI bead: P3_P1";;;;;;;-1.93;;-8.8;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM391596;MM391596;CC(CN)=C(CN)C(C)F;DPRHFHXMWQYULA-UHFFFAOYSA-N;146.21;0.58;;;;;DOPC;MDCG;27;1;"MARTINI bead: P2_Nda";;;;;;;-0.24;;-5.79;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM391597;MM391597;C=C1C(CC)=CC(=O)C1O;OBUWBZVPDMUUOO-UHFFFAOYSA-N;138.17;0.82;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC1_SP1";;;;;;;2.08;;0.48;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM391598;MM391598;CC(CO)=C(CN)C(C)F;ZFYKBKPXODILIW-UHFFFAOYSA-N;147.19;0.61;;;;;DOPC;MDCG;27;1;"MARTINI bead: P2_Nda";;;;;;;-0.24;;-5.16;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM391599;MM391599;C=C1C(CC)=CC(=N)N1N;YTEJLBNYHDVXBG-UHFFFAOYSA-N;137.19;1;;;;;DOPC;MDCG;27;1;"MARTINI bead: SN0_SNd";;;;;;;1.17;;-2.91;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM391600;MM391600;CC(CF)=C(CN)C(C)F;MLHVIQQZDJTYFE-UHFFFAOYSA-N;149.18;1.59;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nda_Na";;;;;;;0.87;;-4.14;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM391601;MM391601;C=C1C=C(CF)C(=N)N1N;MVDABAZJXWKANK-UHFFFAOYSA-N;141.15;0.56;;;;;DOPC;MDCG;27;1;"MARTINI bead: SNd_SNa";;;;;;;0.87;;-3.32;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM391602;MM391602;CCC(C)=C(CF)C(C)F;SMWQRJXODPJBOH-UHFFFAOYSA-N;148.2;3.04;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_C2";;;;;;;3.6;;0.34;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM391603;MM391603;C=C1C(OC)=NC(=O)N1C;ULBUSEJBMGMWBG-UHFFFAOYSA-N;140.14;0.61;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP2_SP1";;;;;;;-1.06;;-3.82;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM391604;MM391604;CC(CN)=C(CF)C(C)F;DFVXCIFWHSHLHZ-UHFFFAOYSA-N;149.18;1.59;;;;;DOPC;MDCG;27;1;"MARTINI bead: Na_Nda";;;;;;;0.87;;-4.23;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM391605;MM391605;C=C1C(OC)=NC(=N)N1N;RSWYFGCQNIZMLV-UHFFFAOYSA-N;140.15;-0.33;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP2_SP1";;;;;;;-1.06;;-3.82;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM391606;MM391606;CC(CF)=C(CN)C(F)F;WIHMXGBFWIGCPS-UHFFFAOYSA-N;153.15;1.5;;;;;DOPC;MDCG;27;1;"MARTINI bead: Na_Nd";;;;;;;0.87;;-3.95;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM391607;MM391607;C=C1C=C(C#N)C(=C)C1C;PRLNKLCFLLLCAR-UHFFFAOYSA-N;131.18;2.2;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC3_SC5";;;;;;;3.34;;0.48;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM391608;MM391608;CC(CF)=C(CF)C(F)F;YLCOFONWGVBATK-UHFFFAOYSA-N;156.12;2.51;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_N0";;;;;;;1.94;;0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM391609;MM391609;C=C1C(C#N)=NC(=O)N1C;KXFQHZSCRISIHC-UHFFFAOYSA-N;135.13;0.53;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP1_SP2";;;;;;;-1.06;;-3.82;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM391610;MM391610;CCC(F)=C(CN)C(C)C;LLQVLXXSYLGPQY-UHFFFAOYSA-N;145.22;2.23;;;;;DOPC;MDCG;27;1;"MARTINI bead: C5_C5";;;;;;;2.41;;0.09;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM391611;MM391611;NN=c1c(F)cn(N)n1N;MNWGBKDZBAIUOB-UHFFFAOYSA-N;146.13;-2.37;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNa_SP3";;;;;;;-1.1;;-4.2;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM391612;MM391612;CC(C)C(CN)=C(F)CF;LSTQEIISDHGBBO-UHFFFAOYSA-N;149.18;1.79;;;;;DOPC;MDCG;27;1;"MARTINI bead: C5_Na";;;;;;;1.64;;-2.08;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM391613;MM391613;CN1C(=N)N=C(C=O)C1=N;VMLBYYYZLJGMNO-UHFFFAOYSA-N;138.13;-0.52;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP1_SP2";;;;;;;-1.06;;-3.82;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM391614;MM391614;CC(N)C(CO)=C(F)CO;WMXNXJWDNUVAHZ-UHFFFAOYSA-N;149.17;-0.46;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1_P1";;;;;;;-0.79;;-4.85;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM391615;MM391615;C#CC1=CC(=C)C(C)C1=C;QMDQOQMXRBVXPX-UHFFFAOYSA-N;130.19;2.31;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC3_SC5";;;;;;;3.34;;0.48;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM391616;MM391616;CCC(F)=C(CF)C(C)N;YQLWHJGXEMIPQF-UHFFFAOYSA-N;149.18;1.94;;;;;DOPC;MDCG;27;1;"MARTINI bead: C3_P1";;;;;;;1.74;;-1.64;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM391617;MM391617;C#CC1=CC(=C)C(N)C1=C;SVRBMTBPSLHVFC-UHFFFAOYSA-N;131.18;1;;;;;DOPC;MDCG;27;1;"MARTINI bead: SNd_SC5";;;;;;;1.64;;-1.75;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM391618;MM391618;CCC(=C(F)CF)C(C)O;PVNZCXLTEPLGBP-UHFFFAOYSA-N;150.17;1.97;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_Na";;;;;;;1.64;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM391619;MM391619;C#CC1=CC(=C)C(O)C1=C;AGYNOPCPZGMKDW-UHFFFAOYSA-N;132.16;1.03;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNda_SC5";;;;;;;1.64;;0.05;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM391620;MM391620;CC(O)C(CO)=C(F)CO;JZJDXMMPZRDMLF-UHFFFAOYSA-N;150.15;-0.42;;;;;DOPC;MDCG;27;0;"MARTINI bead: P3_Nda";;;;;;;-1.1;;-3.97;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM391621;MM391621;C#CC1=CC(=C)C(F)C1=C;YGTCMHFRGZGUSU-UHFFFAOYSA-N;134.15;2.01;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC5_SC5";;;;;;;2.41;;0.64;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM391622;MM391622;CCC(F)=C(CN)C(C)F;XHTUDIIJNVWNQV-UHFFFAOYSA-N;149.18;1.94;;;;;DOPC;MDCG;27;1;"MARTINI bead: C5_Nda";;;;;;;1.64;;-1.94;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM391623;MM391623;C#CC1=CC(=O)N(N)C1=C;UBQZSMOXFWLBTM-UHFFFAOYSA-N;134.14;-0.22;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNda_SP1";;;;;;;0.04;;-2.73;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM391624;MM391624;CC(F)C(CN)=C(F)CN;KSDBBQQYGDXJNM-UHFFFAOYSA-N;150.17;0.49;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nda_P2";;;;;;;-0.24;;-5.39;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM391625;MM391625;C#CC1=NC(=N)N(N)C1=N;MIQOIRSXUDQFGG-UHFFFAOYSA-N;135.13;-0.84;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP2_SP2";;;;;;;-1.34;;-4.31;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM391626;MM391626;NCC(=C(F)CO)C(F)F;HLAMHWIPUMRFNC-UHFFFAOYSA-N;155.12;0.43;;;;;DOPC;MDCG;27;1;"MARTINI bead: N0_P2";;;;;;;0.06;;-3.89;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM391627;MM391627;C#CC1=NC(=O)N(N)C1=N;BGRVNAJYKAMPCY-UHFFFAOYSA-N;136.11;-0.65;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP2_SP2";;;;;;;-1.34;;-4.31;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM391628;MM391628;COC(=C(F)CO)C(F)F;ALAOWIAARJBIRX-UHFFFAOYSA-N;156.1;1.07;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda_N0";;;;;;;1.17;;-1.13;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM391629;MM391629;C=C1C(=C)C(C)C=C1CC;FZADEUGOXAXZIH-UHFFFAOYSA-N;134.22;3.08;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC1_SC4";;;;;;;4.24;;0.42;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM391630;MM391630;COC(C)=C(OC)C(C)O;IXDXEVJQJCYZLJ-UHFFFAOYSA-N;146.19;0.89;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_P1";;;;;;;0.81;;-0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM391631;MM391631;C=C1C(=C)C(C)C=C1CN;AZPGUGMAQCXKMT-UHFFFAOYSA-N;135.21;1.63;;;;;DOPC;MDCG;27;1;"MARTINI bead: SNd_SC4";;;;;;;2.2;;-1.61;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM391632;MM391632;COC(C)=C(OC)C(F)F;SAYAELBKNYXBRY-UHFFFAOYSA-N;152.14;1.78;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_N0";;;;;;;1.94;;0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM391633;MM391633;C=C1C(=C)C(N)C=C1CN;UGPGNUCFXPNRED-UHFFFAOYSA-N;136.2;0.32;;;;;DOPC;MDCG;27;1;"MARTINI bead: SNd_SNd";;;;;;;0.87;;-4.47;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM391634;MM391634;C=CC(C)=C(CN)C(C)C;ZALJURGUURTLKP-UHFFFAOYSA-N;139.24;2.1;;;;;DOPC;MDCG;27;1;"MARTINI bead: C4_N0";;;;;;;2.5;;-0.67;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM391635;MM391635;C=C1C(=C)C(O)C=C1CC;MZMVIWUINZUGLY-UHFFFAOYSA-N;136.19;1.81;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC1_SNda";;;;;;;2.91;;0.57;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM391636;MM391636;CC(C=O)=C(CF)C(C)C;NIJWTWTUMBIJEE-UHFFFAOYSA-N;144.19;2.13;;;;;DOPC;MDCG;27;0;"MARTINI bead: C3_Na";;;;;;;2.57;;0.45;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM391637;MM391637;C=C1C(=O)C(C)C=C1CC;CAQSZFHDGBZXTC-UHFFFAOYSA-N;136.19;2.1;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC2_SNa";;;;;;;2.83;;0.35;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM391638;MM391638;C=CC(C)=C(CN)C(C)N;GJDDTMLYDWWECN-UHFFFAOYSA-N;140.23;0.79;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1_N0";;;;;;;0.34;;-3.84;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM391639;MM391639;C=C1C(=O)C(C)C=C1CO;BXMHNGDCNSZJMY-UHFFFAOYSA-N;138.17;0.68;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNda_SNa";;;;;;;0.87;;-1.99;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM391640;MM391640;C=CC(C)=C(CN)C(C)O;HYXMCADGXDBZBY-UHFFFAOYSA-N;141.21;0.83;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1_N0";;;;;;;0.34;;-3.38;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM391641;MM391641;C=C1C(=N)N(C)C=C1CC;QINZGFQTPNDOLL-UHFFFAOYSA-N;136.2;1.76;;;;;DOPC;MDCG;27;1;"MARTINI bead: SN0_SNd";;;;;;;1.17;;-4.28;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM391642;MM391642;C=CC(C)=C(CO)C(C)O;IPDHYFYOXPQMMQ-UHFFFAOYSA-N;142.2;0.86;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_C5";;;;;;;0.81;;-0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM391643;MM391643;C=C1C(=C)C(C)C=C1C=O;PVFZZCGGOBNNRE-UHFFFAOYSA-N;134.18;1.87;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC5_SC4";;;;;;;2.97;;0.45;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM391644;MM391644;CC(C#N)=C(CO)C(C)O;NUEPGQZZWVATDN-UHFFFAOYSA-N;141.17;0.2;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_P1";;;;;;;-0.79;;-3.13;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM391645;MM391645;C=C1C(=C)C(C)C=C1C#N;OTJVVKIBHGOTSI-UHFFFAOYSA-N;131.18;2.2;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC5_SC4";;;;;;;2.97;;0.45;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM391646;MM391646;CC(C=O)=C(CF)C(C)O;HODONHWDUZPXKV-UHFFFAOYSA-N;146.16;0.85;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_Na";;;;;;;0.04;;-2.54;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM391647;MM391647;C=CC1=CC(N)C(=C)C1=C;LJNYMLMMHBGBSC-UHFFFAOYSA-N;133.19;1.55;;;;;DOPC;MDCG;27;1;"MARTINI bead: SC3_SNd";;;;;;;2.57;;-0.6;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM391648;MM391648;C=CC(C)=C(CN)C(C)F;YWICGSBYROPICV-UHFFFAOYSA-N;143.21;1.81;;;;;DOPC;MDCG;27;1;"MARTINI bead: C5_N0";;;;;;;1.94;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM391649;MM391649;C=CC1=CC(O)C(=C)C1=C;VTANFOPTARUSOD-UHFFFAOYSA-N;134.18;1.59;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC3_SNda";;;;;;;2.57;;0.44;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM391650;MM391650;CC(C=O)=C(CF)C(C)F;BDVMOTBKUMAQFA-UHFFFAOYSA-N;148.15;1.83;;;;;DOPC;MDCG;27;0;"MARTINI bead: C2_P2";;;;;;;1.72;;0.27;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM391651;MM391651;C=C1C(=C)C(O)C=C1C=O;AAIVYUKTSJNCIV-UHFFFAOYSA-N;136.15;0.6;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNa_SNda";;;;;;;0.87;;-1.99;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM391652;MM391652;C=CC(C)=C(CN)C(F)F;OPHQAPLZRVPQEX-UHFFFAOYSA-N;147.17;1.71;;;;;DOPC;MDCG;27;1;"MARTINI bead: N0_Nd";;;;;;;1.17;;-3.1;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM391653;MM391653;C=CC1=CC(F)C(=C)C1=C;PCTWYLNDOLUVCH-UHFFFAOYSA-N;136.17;2.56;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC3_SC4";;;;;;;3.9;;0.47;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM391654;MM391654;CCC(=C(F)C#N)C(C)C;TZSFLQKUHQMRGQ-UHFFFAOYSA-N;141.19;2.8;;;;;DOPC;MDCG;27;0;"MARTINI bead: C3_C4";;;;;;;3.9;;0.47;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM391655;MM391655;C=CC1=CC(C)C(=O)C1=C;DGXZGBRIYTYUFX-UHFFFAOYSA-N;134.18;1.87;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC3_SNa";;;;;;;2.57;;0.45;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM391656;MM391656;C=CC(F)=C(CN)C(C)N;MJDBFZQEKJWTGW-UHFFFAOYSA-N;144.19;0.7;;;;;DOPC;MDCG;27;1;"MARTINI bead: P2_Na";;;;;;;-0.24;;-5.47;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM391657;MM391657;C=C1C(=O)C(C)C=C1C=O;ZGOODMQZWCJUSN-UHFFFAOYSA-N;136.15;0.89;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNa_SNa";;;;;;;0.87;;-2.22;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM391658;MM391658;CCC(=C(F)C=O)C(C)O;DYQHFKUMJFXOJG-UHFFFAOYSA-N;146.16;1.2;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_C5";;;;;;;0.81;;-0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM391659;MM391659;C=C1C(=O)C(C)C=C1C#N;PYIBZDCNDSIUGR-UHFFFAOYSA-N;133.15;1.21;;;;;DOPC;MDCG;27;0;"MARTINI bead: SN0_SNa";;;;;;;1.17;;-1.18;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM391660;MM391660;C=CC(F)=C(CN)C(C)F;SPTVDIYOJILPAR-UHFFFAOYSA-N;147.17;1.71;;;;;DOPC;MDCG;27;1;"MARTINI bead: C5_Nda";;;;;;;1.64;;-1.93;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM391661;MM391661;C=CC1=CC(C)C(=O)C1=O;BKYHWCHZJFPFOL-UHFFFAOYSA-N;136.15;0.89;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC3_SNa";;;;;;;2.57;;0.45;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM391662;MM391662;N#CC(F)=C(CO)C(F)F;DMZHMZWAAGRYAI-UHFFFAOYSA-N;151.09;0.99;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda_N0";;;;;;;1.17;;-1.13;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM391663;MM391663;CC1C=C(C#N)C(=O)C1=O;DNVQGDIKHXVBSF-UHFFFAOYSA-N;135.12;0.22;;;;;DOPC;MDCG;27;0;"MARTINI bead: SN0_SNa";;;;;;;1.17;;-1.18;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM391664;MM391664;COC(=C(F)C=O)C(C)O;FJXCCCARCHSQGC-UHFFFAOYSA-N;148.13;0.39;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_P1";;;;;;;0.04;;-2.54;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM391665;MM391665;C=CC1=CN(C)C(=N)C1=C;ZJXBCSTYXXGALT-UHFFFAOYSA-N;134.18;1.54;;;;;DOPC;MDCG;27;1;"MARTINI bead: SN0_SNd";;;;;;;1.17;;-4.03;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM391666;MM391666;COC(=C(F)C#N)C(C)O;MIVIEKRRCJFQOE-UHFFFAOYSA-N;145.13;0.72;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_P1";;;;;;;0.81;;-0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM391667;MM391667;C#CC1=CC(C)C(=C)C1=C;XFXIMTQHHYAJPD-UHFFFAOYSA-N;130.19;2.31;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC5_SC4";;;;;;;2.97;;0.45;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM391668;MM391668;COC(=C(F)C#N)C(F)F;YJNNKQWLMJVOFM-UHFFFAOYSA-N;151.09;1.6;;;;;DOPC;MDCG;27;0;"MARTINI bead: N0_C5";;;;;;;1.94;;0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM391669;MM391669;C#CC1=CC(N)C(=C)C1=C;YMKSIYUJPICLBR-UHFFFAOYSA-N;131.18;1;;;;;DOPC;MDCG;27;1;"MARTINI bead: SC5_SNd";;;;;;;1.64;;-1.74;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM391670;MM391670;COC(=NNC(C)C)NN;XXAZJWNMCVZFST-UHFFFAOYSA-N;146.19;-0.63;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_Nd";;;;;;;-0.24;;-3.16;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM391671;MM391671;CN(C)C(CO)=C(F)C=O;BSXFIQBJMZVGOK-UHFFFAOYSA-N;147.15;-0.08;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda_P2";;;;;;;-0.24;;-3.31;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM391672;MM391672;C#CC1=CC(O)C(=C)C1=C;XGOCIRCZUMQTJO-UHFFFAOYSA-N;132.16;1.03;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC5_SNda";;;;;;;1.64;;0.05;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM391673;MM391673;CNC(=C(C)C#N)N(C)C;FOLPHVTXVGKFRF-UHFFFAOYSA-N;139.2;0.52;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_P2";;;;;;;0.54;;-1.09;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM391674;MM391674;C#CC1=CC(C)C(=O)C1=C;DNAFQEUBHUFIOU-UHFFFAOYSA-N;132.16;1.32;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC5_SNa";;;;;;;1.64;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM391675;MM391675;COC(=C(C)C=O)N(C)C;HAOHXNFNQCLZQU-UHFFFAOYSA-N;143.19;0.62;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_P2";;;;;;;0.54;;-1.09;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM391676;MM391676;C#CC1=CC(O)C(=O)C1=C;CLTSHJAJJJDGHJ-UHFFFAOYSA-N;134.13;0.05;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC5_SNda";;;;;;;1.64;;0.05;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM391677;MM391677;COC(=C(C)C#N)N(C)C;WPMPPPSSPFZQNS-UHFFFAOYSA-N;140.19;0.95;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_P2";;;;;;;0.54;;-1.09;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM391678;MM391678;C#CC1=CC(C)C(=C)C1=O;MKOSCXMFDVLDFP-UHFFFAOYSA-N;132.16;1.32;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNa_SC4";;;;;;;2.2;;0.34;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM391679;MM391679;COC(=C(F)C#N)N(C)C;BZHKYBYLYPOFIP-UHFFFAOYSA-N;144.15;0.86;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_C5";;;;;;;0.81;;-0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM391680;MM391680;C#CC1=CC(C)C(=O)C1=O;PWECDCBJUKELOY-UHFFFAOYSA-N;134.13;0.33;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC5_SNa";;;;;;;1.64;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM391681;MM391681;C#CC(C)=C(CN)C(C)C;ADSJVFMBRWMFBU-UHFFFAOYSA-N;137.23;1.55;;;;;DOPC;MDCG;27;1;"MARTINI bead: C3_Nd";;;;;;;2.57;;-0.93;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM391682;MM391682;C#CC1=CN(C)C(=O)C1=C;GMBWFMYETGDMNG-UHFFFAOYSA-N;133.15;0.53;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP1_SNda";;;;;;;0.04;;-2.73;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM391683;MM391683;C#CC(C)=C(CN)C(C)N;NEHYZKFCRBFVLL-UHFFFAOYSA-N;138.21;0.24;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_P2";;;;;;;-0.24;;-5.45;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM391684;MM391684;C=C1C=C(CC)C(=C)C1=O;XNLOLTNILCYYSF-UHFFFAOYSA-N;134.18;2.02;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC2_SNa";;;;;;;2.83;;0.35;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM391685;MM391685;C#CC(C)=C(CO)C(C)N;GIBSHKBJJRYRAG-UHFFFAOYSA-N;139.2;0.28;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1_Nda";;;;;;;0.04;;-4.8;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM391686;MM391686;CCc1cc(=O)c(=O)c1=O;KFPSCICWKVLKCK-UHFFFAOYSA-N;138.12;-0.79;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_SNa";;;;;;;1.64;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM391687;MM391687;C#CC(C)=C(CF)C(C)N;CMORVWUHYWFVNH-UHFFFAOYSA-N;141.19;1.25;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_Na";;;;;;;0.87;;-4.25;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM391688;MM391688;O=c1cc(CO)c(=O)c1=O;YPHUNYCHDFQWNZ-UHFFFAOYSA-N;140.09;-1.86;;;;;DOPC;MDCG;27;0;"MARTINI bead: P3_SNa";;;;;;;-1.1;;-4.2;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM391689;MM391689;C#CC(C)=C(CF)C(C)O;XXHJLBZSRVDTNS-UHFFFAOYSA-N;142.17;1.29;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_Nda";;;;;;;0.87;;-1.99;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM391690;MM391690;CNc1cc(=O)c(=O)c1=O;UCAXTSHJNPSVOH-UHFFFAOYSA-N;139.11;-1.32;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_SNa";;;;;;;-0.24;;-3.24;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM391691;MM391691;C#CC(C)=C(CO)C(F)F;SMRAVVVBMUURND-UHFFFAOYSA-N;146.14;1.19;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda_N0";;;;;;;1.17;;-1.13;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM391692;MM391692;COc1cc(=O)c(=O)c1=O;PVCGRCOLMPBUHN-UHFFFAOYSA-N;140.09;-1.35;;;;;DOPC;MDCG;27;0;"MARTINI bead: P3_SNa";;;;;;;-1.1;;-4.2;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM391693;MM391693;C#CC(F)=C(OC)C(C)N;CLRBMBBTBYWXGG-UHFFFAOYSA-N;143.16;0.79;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1_C5";;;;;;;0.81;;-2.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM391694;MM391694;CCc1nc(=N)c(=O)c1=O;JSASNUVKBPLKRZ-UHFFFAOYSA-N;138.13;-1.28;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC5_SP2";;;;;;;0.54;;-1.09;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM391695;MM391695;C#CC(F)=C(OC)C(C)O;IINXYHGXYRFUDY-UHFFFAOYSA-N;144.15;0.83;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_C5";;;;;;;0.81;;-0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM391696;MM391696;Cc1c(N)on(N)c1=NN;DNECZCPHWZWNIK-UHFFFAOYSA-N;143.15;-1.54;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNd_SP2";;;;;;;-0.24;;-3.16;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM391697;MM391697;CC(CO)=C(C=O)C(C)C;WCXVNCHTEFGNCL-UHFFFAOYSA-N;142.2;1.15;;;;;DOPC;MDCG;27;0;"MARTINI bead: C3_P3";;;;;;;0.6;;-0.8;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM391698;MM391698;NN=c1c(N)c(F)on1N;WDZDEHPYCIDZEJ-UHFFFAOYSA-N;147.11;-1.71;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP2_SNda";;;;;;;-0.24;;-3.31;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM391699;MM391699;CC(CF)=C(C=O)C(C)C;RQDFPEXWYFWMMA-UHFFFAOYSA-N;144.19;2.13;;;;;DOPC;MDCG;27;0;"MARTINI bead: C3_Na";;;;;;;2.57;;0.45;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM391700;MM391700;CCc1nc(=O)c(=O)c1=O;UEEJSSKXTRZDSK-UHFFFAOYSA-N;139.11;-1.4;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC5_SP2";;;;;;;0.54;;-1.09;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM391701;MM391701;CC(CF)=C(C#N)C(C)C;SXPAECIJBWXWCA-UHFFFAOYSA-N;141.19;2.45;;;;;DOPC;MDCG;27;0;"MARTINI bead: C3_Na";;;;;;;2.57;;0.45;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM391702;MM391702;O=c1nc(CO)c(=O)c1=O;SXYOAHVFVZLFKU-UHFFFAOYSA-N;141.08;-2.47;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNda_SP2";;;;;;;-0.24;;-3.31;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM391703;MM391703;C=CC(=C(C)CN)C(C)O;UXDOAAAUULVFIG-UHFFFAOYSA-N;141.21;0.83;;;;;DOPC;MDCG;27;1;"MARTINI bead: N0_P1";;;;;;;0.34;;-3.47;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM391704;MM391704;O=c1nc(CF)c(=O)c1=O;LDGVSJDGQXGFFS-UHFFFAOYSA-N;143.07;-1.49;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNa_SP2";;;;;;;-0.24;;-3.24;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM391705;MM391705;C=CC(=C(C)CN)C(C)F;ZPGLJONBTCIEAL-UHFFFAOYSA-N;143.21;1.81;;;;;DOPC;MDCG;27;1;"MARTINI bead: C5_Nd";;;;;;;1.64;;-2.13;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM391706;MM391706;C=C1C(=O)C(=N)N=C1OC;GHIUMEFPQMDIIR-UHFFFAOYSA-N;138.13;0.15;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNa_SP1";;;;;;;0.04;;-2.54;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM391707;MM391707;CC(CO)=C(C=O)C(C)F;DDQYPNQCSQGQFG-UHFFFAOYSA-N;146.16;0.85;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4_P3";;;;;;;0.23;;-1.03;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM391708;MM391708;COc1nc(=N)c(=O)c1=O;PMHQRLQFAKWOTA-UHFFFAOYSA-N;140.1;-1.83;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNa_SP2";;;;;;;-0.24;;-3.24;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM391709;MM391709;C=CC(=C(C)CN)C(F)F;KHXTWXBUQOUXDT-UHFFFAOYSA-N;147.17;1.71;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_N0";;;;;;;1.17;;-3.27;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM391710;MM391710;COc1nc(=O)c(=O)c1=O;XXUSRFJZFSVMDI-UHFFFAOYSA-N;141.08;-1.95;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNa_SP2";;;;;;;-0.24;;-3.24;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM391711;MM391711;C=CC1CC(CC)(CO)C1;JREGHOLSZZZPJX-UHFFFAOYSA-N;140.23;1.97;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC5_SC4";;;;;;;2.97;;0.45;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM391712;MM391712;C=CC1=CC(=C)C(=C)C1=C;JNJLMFOSYQQASD-UHFFFAOYSA-N;130.19;2.78;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC3_SC4";;;;;;;3.9;;0.47;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM391713;MM391713;C=CC(=C(F)CN)C(C)N;GZWMIQHTESLHKV-UHFFFAOYSA-N;144.19;0.7;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_P2";;;;;;;-0.24;;-5.51;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM391714;MM391714;C=C1C=C(C#N)C(=C)C1=C;URRNRVOCSLOSGT-UHFFFAOYSA-N;129.16;2.12;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC4_SC5";;;;;;;2.97;;0.45;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM391715;MM391715;N#CC(=C(F)CO)C(F)F;QIIBLTMOHOXKDL-UHFFFAOYSA-N;151.09;0.99;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda_N0";;;;;;;1.17;;-1.13;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM391716;MM391716;C=CC1=CC(=C)C(=O)C1=C;KFIVUYSJDBVTFV-UHFFFAOYSA-N;132.16;1.79;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC3_SNa";;;;;;;2.57;;0.45;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM391717;MM391717;CNC(C)=C(C=O)C(C)C;FZIYUFHFINUUIG-UHFFFAOYSA-N;141.21;1.33;;;;;DOPC;MDCG;27;0;"MARTINI bead: C3_P2";;;;;;;1.46;;-0.15;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM391718;MM391718;C=C1C=C(C#N)C(=C)C1=O;RSFATLSUSXZXPB-UHFFFAOYSA-N;131.13;1.13;;;;;DOPC;MDCG;27;0;"MARTINI bead: SN0_SNa";;;;;;;1.17;;-1.18;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM391719;MM391719;CNC(C)=C(C=O)C(C)O;FTPIHBZMAWNDLU-UHFFFAOYSA-N;143.19;0.06;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_Nda";;;;;;;-0.24;;-3.31;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM391720;MM391720;C=Cc1cc(=O)c(=O)c1=O;LTJCKWPWCZOLBL-UHFFFAOYSA-N;136.11;-0.71;;;;;DOPC;MDCG;27;0;"MARTINI bead: N0_SNa";;;;;;;1.17;;-1.18;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM391721;MM391721;CCC1CC1C(C)(C)CO;NTJIQCIDCUHRCO-UHFFFAOYSA-N;142.24;2.05;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC3_Nda";;;;;;;2.57;;0.44;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM391722;MM391722;O=Cc1cc(=O)c(=O)c1=O;SEMBXJXINCBHLI-UHFFFAOYSA-N;138.08;-1.54;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_SNa";;;;;;;-0.24;;-3.24;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM391723;MM391723;CNC(N)=C(C=O)C(C)F;FESFOKYHCXPQKN-UHFFFAOYSA-N;146.17;-0.07;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_Nda";;;;;;;-0.24;;-3.31;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM391724;MM391724;N#Cc1cc(=O)c(=O)c1=O;SCXWNKGZEFLAPI-UHFFFAOYSA-N;135.08;-1.49;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_SNa";;;;;;;-0.24;;-3.24;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM391725;MM391725;CNC(N)=C(C=O)C(F)F;LXHUGRVRRYEFJK-UHFFFAOYSA-N;150.13;-0.16;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_N0";;;;;;;0.06;;-2.21;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM391726;MM391726;C=Cc1nc(=N)c(=O)c1=O;WRALHHFRARDMJY-UHFFFAOYSA-N;136.11;-1.2;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNa_SP2";;;;;;;-0.24;;-3.24;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM391727;MM391727;CNC(N)=C(C#N)C(F)F;SVEVMYFGVBROSA-UHFFFAOYSA-N;147.13;0.16;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_N0";;;;;;;0.34;;-1.53;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM391728;MM391728;N=c1nc(C=O)c(=O)c1=O;ASIUHYTWQCPSSF-UHFFFAOYSA-N;138.08;-2.03;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNa_SP2";;;;;;;-0.24;;-3.24;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM391729;MM391729;COC(N)=C(C=O)C(F)F;KQXMQBAMYWVFCN-UHFFFAOYSA-N;151.11;0.27;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_N0";;;;;;;0.34;;-1.53;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM391730;MM391730;N#Cc1nc(=N)c(=O)c1=O;WSEMWOFMPDGJCJ-UHFFFAOYSA-N;135.08;-1.97;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNa_SP2";;;;;;;-0.24;;-3.24;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM391731;MM391731;CC(C#N)=C(C#N)C(C)C;CAMXYMUWTJPWNO-UHFFFAOYSA-N;134.18;2.01;;;;;DOPC;MDCG;27;0;"MARTINI bead: C3_P1";;;;;;;1.74;;0.29;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM391732;MM391732;C=Cc1nc(=O)c(=O)c1=O;KNSIKJWSVPWSRR-UHFFFAOYSA-N;137.09;-1.32;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNa_SP2";;;;;;;-0.24;;-3.24;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM391733;MM391733;C=CC(=C(C)C=O)C(C)F;XOCGJYNGIWJYDA-UHFFFAOYSA-N;142.17;2.05;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1_P2";;;;;;;1.8;;0.4;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM391734;MM391734;O=Cc1nc(=O)c(=O)c1=O;FEGCYWNZIORZFT-UHFFFAOYSA-N;139.07;-2.15;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNa_SP2";;;;;;;-0.24;;-3.24;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM391735;MM391735;CC(C)(CO)C1CC1CF;SJNTWFOEJCFWEM-UHFFFAOYSA-N;146.21;1.61;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda_SC5";;;;;;;1.64;;0.05;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM391736;MM391736;N#Cc1nc(=O)c(=O)c1=O;XIRVDUBUFXTVEJ-UHFFFAOYSA-N;136.07;-2.09;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNa_SP2";;;;;;;-0.24;;-3.24;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM391737;MM391737;CC(O)C(C#N)=C(N)C=O;MEEFSJMTRYCCFV-UHFFFAOYSA-N;140.14;-0.7;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_P1";;;;;;;-0.79;;-3.13;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM391738;MM391738;C#CC1=CC(=C)C(=C)C1=C;ULRWKWVPLDBTBE-UHFFFAOYSA-N;128.17;2.23;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC4_SC5";;;;;;;2.97;;0.45;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM391739;MM391739;CC(O)C(C=O)=C(N)C#N;QZRVEGKADMUOIE-UHFFFAOYSA-N;140.14;-0.7;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_P1";;;;;;;-0.79;;-3.13;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM391740;MM391740;C#CC1=CC(=C)C(=O)C1=C;DDJVYYSNXBUXHE-UHFFFAOYSA-N;130.15;1.24;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC5_SNa";;;;;;;1.64;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM391741;MM391741;C=C(C1CC1)C(C)(C)CO;FXUUZKFUSJCBKO-UHFFFAOYSA-N;140.23;1.97;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda_SC4";;;;;;;2.2;;0.49;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM391742;MM391742;C#CC1=CC(=O)C(=O)C1=C;YYNPRTWYBZNLHL-UHFFFAOYSA-N;132.12;0.25;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNa_SC5";;;;;;;1.64;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM391743;MM391743;C=CC(N)=C(C#N)C(F)F;YBTAPKKAWIVMEZ-UHFFFAOYSA-N;144.12;1.17;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nd_N0";;;;;;;1.17;;-1.04;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM391744;MM391744;C#CC1=CC(=C)C(=C)C1=O;NEYSPOMNLWQRON-UHFFFAOYSA-N;130.15;1.24;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC5_SNa";;;;;;;1.64;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM391745;MM391745;N#CC(N)=C(C#N)C(F)F;PHJQQRUNIKJOSX-UHFFFAOYSA-N;143.1;0.51;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_N0";;;;;;;0.34;;-1.53;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM391746;MM391746;C#CC1=CC(=C)C(=O)C1=O;QWZIOVJTHMATRA-UHFFFAOYSA-N;132.12;0.25;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC5_SNa";;;;;;;1.64;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM391747;MM391747;CC(C)C(C=O)=C(F)C#N;YLFYHSHJFCHPOZ-UHFFFAOYSA-N;141.15;1.59;;;;;DOPC;MDCG;27;0;"MARTINI bead: C3_Na";;;;;;;2.57;;0.45;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM391748;MM391748;C#Cc1cc(=O)c(=O)c1=O;VFEUJZWMSHFVFO-UHFFFAOYSA-N;134.09;-1.38;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_SNa";;;;;;;0.04;;-2.54;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM391749;MM391749;CC(O)C(C=O)=C(F)C=O;NTNKQQQNRZTOIH-UHFFFAOYSA-N;146.12;-0.01;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_Na";;;;;;;0.04;;-2.54;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM391750;MM391750;C#Cc1nc(=N)c(=O)c1=O;WZGQLUITPBWZQN-UHFFFAOYSA-N;134.09;-1.86;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNa_SP2";;;;;;;-0.24;;-3.24;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM391751;MM391751;CC(O)C(C#N)=C(F)C#N;NVQZHGCTYKGHEJ-UHFFFAOYSA-N;140.12;0.64;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_N0";;;;;;;0.34;;-1.53;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM391752;MM391752;C#Cc1nc(=O)c(=O)c1=O;KKSPFKSXNKTRAO-UHFFFAOYSA-N;135.08;-1.98;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNa_SP2";;;;;;;-0.24;;-3.24;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM391753;MM391753;N#CC(=C(F)C=O)C(F)F;UKSDJLCRHVXYKA-UHFFFAOYSA-N;149.07;1.2;;;;;DOPC;MDCG;27;0;"MARTINI bead: N0_Na";;;;;;;1.17;;-1.18;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM391754;MM391754;CCn1oc(N)c(O)c1=N;RZRPVAFMKPEAGI-UHFFFAOYSA-N;143.15;-0.13;;;;;DOPC;MDCG;27;1;"MARTINI bead: SP1_SP2";;;;;;;-1.06;;-7.16;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM391755;MM391755;CC(C=O)=C(C#N)N(C)C;UKOPFPVUOPTGSX-UHFFFAOYSA-N;138.17;0.54;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_P2";;;;;;;0.54;;-1.09;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM391756;MM391756;Nc1noc(F)c1O;AQFDXIYGZLNQQS-UHFFFAOYSA-N;118.07;0.1;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP1_SNa";;;;;;;0.04;;-7;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM391757;MM391757;CC(C#N)=C(C#N)N(C)C;PVYZWDVHWUEAKF-UHFFFAOYSA-N;135.17;0.87;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_P2";;;;;;;0.54;;-1.09;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM391758;MM391758;C#CC(=N)N=C(N)C(=O)O;ZOYIEXRPLAZZIT-UHFFFAOYSA-N;139.11;-0.96;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_P1";;;;;;;-1.06;;-8.2;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM391759;MM391759;CN(C)C(C#N)=C(N)C=O;DVIVJZVVVPIMPP-UHFFFAOYSA-N;139.16;-0.56;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nd_P2";;;;;;;-0.24;;-3.16;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM391760;MM391760;CN=c1[nH]nnc(=N)o1;BPOYTUFSDGTOIA-UHFFFAOYSA-N;127.11;-1.59;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP2_SP3";;;;;;;-2.2;;-9.31;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM391761;MM391761;C#CC(C)=C(C#N)C(C)O;YBDCYQFWVWKDEG-UHFFFAOYSA-N;135.17;0.84;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_C5";;;;;;;0.81;;-0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM391762;MM391762;Cc1on(C)c(=NN)c1F;QRRGSJPUINRDOZ-UHFFFAOYSA-N;145.14;-0.16;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNa_SP1";;;;;;;0.04;;-2.54;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM391763;MM391763;C#CC(F)=C(C#N)C(C)O;BQVJKSYKAYSALZ-UHFFFAOYSA-N;139.13;0.75;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_C5";;;;;;;0.81;;-0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM391764;MM391764;CN=c1[nH]c(C)c(C)n1C;HTDYABAIEOSZJR-UHFFFAOYSA-N;139.2;0.5;;;;;DOPC;MDCG;27;1;"MARTINI bead: SP1_SNd";;;;;;;0.04;;-6.75;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM391765;MM391765;C#CC(=C(C)CO)C(C)N;DJSOCQJHKBTFPX-UHFFFAOYSA-N;139.2;0.28;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1_Nda";;;;;;;0.04;;-4.42;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM391766;MM391766;Cc1[nH]c(=NN)n(C)c1C;AFDDBTBZRORLTD-UHFFFAOYSA-N;140.19;-0.26;;;;;DOPC;MDCG;27;1;"MARTINI bead: SP2_SNd";;;;;;;-0.24;;-5.83;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM391767;MM391767;C#CC(=C(C)C#N)C(C)O;PYYWEXVYYZEMDL-UHFFFAOYSA-N;135.17;0.84;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_C5";;;;;;;0.81;;-0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM391768;MM391768;CN=c1[nH]c(N)c(C)n1C;UZJQJJQYSNFUAR-UHFFFAOYSA-N;140.19;-0.23;;;;;DOPC;MDCG;27;1;"MARTINI bead: SP1_SP1";;;;;;;-0.79;;-7.51;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM391769;MM391769;C#CC(=C(F)C=O)C(C)O;MUBFSMGLDWYHJL-UHFFFAOYSA-N;142.13;0.42;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_N0";;;;;;;0.34;;-1.53;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM391770;MM391770;Cc1c(N)[nH]c(=NN)n1C;OIDIXNMSIXXNNG-UHFFFAOYSA-N;141.18;-0.98;;;;;DOPC;MDCG;27;1;"MARTINI bead: SP1_SP2";;;;;;;-1.06;;-6.74;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM391771;MM391771;C#CC(=C(C)C=O)N(C)C;RJJYNPXFRIEKHG-UHFFFAOYSA-N;137.18;0.65;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nd_Na";;;;;;;0.87;;-1.88;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM391772;MM391772;CN=c1[nH]c(O)c(C)n1C;NWBSTJSZPIEKPM-UHFFFAOYSA-N;141.17;-0.1;;;;;DOPC;MDCG;27;1;"MARTINI bead: SP1_SNda";;;;;;;0.04;;-5;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM391773;MM391773;C#CC(=C(C)C#N)N(C)C;YWFWJRLJETZNMS-UHFFFAOYSA-N;134.18;0.98;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_C5";;;;;;;0.81;;-0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM391774;MM391774;Cc1c(O)[nH]c(=NO)n1C;GMSBRNSLVWPLAZ-UHFFFAOYSA-N;143.15;-0.34;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNda_SP3";;;;;;;-1.1;;-3.97;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM391775;MM391775;C#CC(=C(F)C=O)N(C)C;BJLBSAFCXRJGQJ-UHFFFAOYSA-N;141.15;0.56;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_P2";;;;;;;0.54;;-1.09;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM391776;MM391776;CN=c1[nH]c(F)c(C)n1C;QOSDTBQXCVMNPH-UHFFFAOYSA-N;143.17;0.33;;;;;DOPC;MDCG;27;1;"MARTINI bead: SP1_SNda";;;;;;;0.04;;-4.12;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM391777;MM391777;C#CC(=C(F)C#N)N(C)C;HHAPUZAQWOFEJH-UHFFFAOYSA-N;138.15;0.89;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_C5";;;;;;;0.81;;-0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM391778;MM391778;Cc1c(F)[nH]c(=NO)n1C;QLGQGMZSAIOYLT-UHFFFAOYSA-N;145.14;0.09;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNda_SP2";;;;;;;-0.24;;-3.31;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM391779;MM391779;C#CC(C)=C(C#C)C(C)N;ZGBNIQCJOHZLMC-UHFFFAOYSA-N;133.19;0.92;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1_C4";;;;;;;1.37;;-1.91;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM391780;MM391780;CN=c1[nH]c(C)c(N)n1C;NQYWPJGMDJGKLM-UHFFFAOYSA-N;140.19;-0.23;;;;;DOPC;MDCG;27;1;"MARTINI bead: SP1_SP1";;;;;;;-0.79;;-7.49;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM391781;MM391781;C#CC(C)=C(C#C)C(C)O;NWYTUJJQUDJKGC-UHFFFAOYSA-N;134.18;0.95;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_C4";;;;;;;1.37;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM391782;MM391782;Cc1[nH]c(=NN)n(C)c1N;JEBJCIUQYROUDV-UHFFFAOYSA-N;141.18;-0.98;;;;;DOPC;MDCG;27;1;"MARTINI bead: SP2_SP1";;;;;;;-1.06;;-6.73;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM391783;MM391783;C#CC(F)=C(C#C)C(C)N;OFCJAJZLXFNCIH-UHFFFAOYSA-N;137.16;0.82;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1_C4";;;;;;;1.37;;-1.78;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM391784;MM391784;CN=c1[nH]c(N)c(N)n1C;UVKNHAKVWCDPKO-UHFFFAOYSA-N;141.18;-0.95;;;;;DOPC;MDCG;27;1;"MARTINI bead: SP1_SP2";;;;;;;-1.06;;-8.33;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM391785;MM391785;C#CC(F)=C(C#C)C(C)O;IUNIYWXCYKDSIT-UHFFFAOYSA-N;138.14;0.86;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_C4";;;;;;;1.37;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM391786;MM391786;Cn1c(N)c(N)[nH]c1=NN;YABCOUIIRYKNRM-UHFFFAOYSA-N;142.17;-1.71;;;;;DOPC;MDCG;27;1;"MARTINI bead: SP2_SP2";;;;;;;-1.34;;-7.58;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM391787;MM391787;C=C(C)C(CF)=C(C)CN;UEXNSZSMNLPZJI-UHFFFAOYSA-N;143.21;1.81;;;;;DOPC;MDCG;27;1;"MARTINI bead: C1_P2";;;;;;;1.8;;-1.12;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM391788;MM391788;C=C(C)C(CF)=C(C)CF;YGYPQZBEQLDSQB-UHFFFAOYSA-N;146.18;2.82;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1_Na";;;;;;;2.91;;0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM391789;MM391789;CN=c1[nH]c(O)c(N)n1C;WBBGSWYWGJXSMA-UHFFFAOYSA-N;142.16;-0.83;;;;;DOPC;MDCG;27;1;"MARTINI bead: SP1_SP1";;;;;;;-0.79;;-5.88;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM391790;MM391790;CCC(C)=C(CF)C(C)=O;NPVJCHMQIVOFIG-UHFFFAOYSA-N;144.19;2.27;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1_P1";;;;;;;2.08;;0.48;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM391791;MM391791;Cn1c(N)c(O)[nH]c1=NN;PFAXNAWFJWWBPR-UHFFFAOYSA-N;143.15;-1.58;;;;;DOPC;MDCG;27;1;"MARTINI bead: SP1_SP2";;;;;;;-1.06;;-5.1;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM391792;MM391792;CC(=O)C(CF)=C(C)CO;ZLCXNAYFVLCSAD-UHFFFAOYSA-N;146.16;0.85;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_Nda";;;;;;;0.04;;-2.73;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM391793;MM391793;Cn1oc(F)c(F)c1=NN;AGADXOBVUXUSKJ-UHFFFAOYSA-N;149.1;-0.33;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNa_SP1";;;;;;;0.04;;-2.54;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM391794;MM391794;CCC(C(=N)N)=C(C)CF;YZADBZFUQCIUDE-UHFFFAOYSA-N;144.19;1.62;;;;;DOPC;MDCG;27;1;"MARTINI bead: P3_C1";;;;;;;0.94;;-3.87;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM391795;MM391795;CN=c1[nH]c(F)c(N)n1C;QLTPTPGHBYGFMX-UHFFFAOYSA-N;144.15;-0.4;;;;;DOPC;MDCG;27;1;"MARTINI bead: SP1_SNda";;;;;;;0.04;;-4.39;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM391796;MM391796;CC=NNC(C)=NNCC;OFWSAEIMQQKFTA-UHFFFAOYSA-N;142.21;0.52;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nd_Nd";;;;;;;0.87;;-2.11;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM391797;MM391797;Cn1c(N)c(F)[nH]c1=NO;DEHMCOMSAWZBBL-UHFFFAOYSA-N;146.13;-0.64;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNda_SP3";;;;;;;-1.1;;-3.97;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM391798;MM391798;CCC(C)=C(CN)C(N)=O;BPHOWGAYGBXPEX-UHFFFAOYSA-N;142.2;0.16;;;;;DOPC;MDCG;27;1;"MARTINI bead: C5_P3";;;;;;;-0.33;;-3.15;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM391799;MM391799;CN=c1[nH]c(C)c(O)n1C;CEAADICFLOXZDI-UHFFFAOYSA-N;141.17;-0.1;;;;;DOPC;MDCG;27;1;"MARTINI bead: SP1_SP1";;;;;;;-0.79;;-5.41;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM391800;MM391800;CCC(C)=C(CO)C(N)=O;GOEBECMFULFPSK-UHFFFAOYSA-N;143.19;0.19;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_P3";;;;;;;-0.33;;-2.01;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM391801;MM391801;Cc1[nH]c(=NO)n(C)c1O;FYEDZUHVNSPVNH-UHFFFAOYSA-N;143.15;-0.34;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP3_SP1";;;;;;;-1.93;;-4.72;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM391802;MM391802;N=C(NC=NN)C(F)=CN;INNXVIADXMNBGO-UHFFFAOYSA-N;145.14;-0.78;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_P1";;;;;;;-1.06;;-3.82;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM391803;MM391803;CN=c1[nH]c(N)c(O)n1C;ZSAIFKAOBKPPFK-UHFFFAOYSA-N;142.16;-0.83;;;;;DOPC;MDCG;27;1;"MARTINI bead: SP1_SP1";;;;;;;-0.79;;-5.89;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM391804;MM391804;CCC(C)=C(CC)C(=O)O;CNYJVFLIXLEHTP-UHFFFAOYSA-N;142.2;2.21;;;;;DOPC;MDCG;27;-1;"MARTINI bead: C1_P1";;;;;;;2.08;;-0.83;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM391805;MM391805;Cn1c(O)c(N)[nH]c1=NN;WQKQPZHUPWONSI-UHFFFAOYSA-N;143.15;-1.58;;;;;DOPC;MDCG;27;1;"MARTINI bead: SP1_SP2";;;;;;;-1.06;;-5.09;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM391806;MM391806;CC(CF)=C(CF)C(=O)O;DIFIGSRKTKRQGD-UHFFFAOYSA-N;150.12;1.33;;;;;DOPC;MDCG;27;-1;"MARTINI bead: C5_P1";;;;;;;0.81;;-3.74;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM391807;MM391807;CC12CC(C1)C(C=O)=NN2;IWHXHKBUXSMDBU-UHFFFAOYSA-N;138.17;0.31;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNd_SP1";;;;;;;0.04;;-2.63;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM391808;MM391808;CCC(N)=C(CO)C(=N)N;OAHVOAYVUMVNSV-UHFFFAOYSA-N;143.19;-0.46;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nda_P3";;;;;;;-1.1;;-7.71;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM391809;MM391809;Cn1c(O)c(O)[nH]c1=NO;SWDBCYVKIPBTAQ-UHFFFAOYSA-N;145.12;-0.95;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP2_SP3";;;;;;;-2.2;;-5.19;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM391810;MM391810;N=C(N)C(CO)=C(N)CN;IODJCLMTRHCPGC-UHFFFAOYSA-N;144.18;-1.91;;;;;DOPC;MDCG;27;1;"MARTINI bead: P4_P3";;;;;;;-3.15;;-10.1;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM391811;MM391811;CN=c1[nH]c(C)c(F)n1C;UYQMDYWLURKLPR-UHFFFAOYSA-N;143.17;0.33;;;;;DOPC;MDCG;27;1;"MARTINI bead: SP1_SNda";;;;;;;0.04;;-4.14;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM391812;MM391812;N=C(N)C(CO)=C(N)CO;VTFSVSWFWXFKAS-UHFFFAOYSA-N;145.16;-1.88;;;;;DOPC;MDCG;27;1;"MARTINI bead: P3_P3";;;;;;;-3.07;;-9.73;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM391813;MM391813;Cc1[nH]c(=NO)n(C)c1F;CRCLHYPXIYTNKW-UHFFFAOYSA-N;145.14;0.09;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP3_SNda";;;;;;;-1.1;;-3.97;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM391814;MM391814;N=C(N)C(CO)=C(N)CF;HECKWRBFEVECMF-UHFFFAOYSA-N;147.15;-0.9;;;;;DOPC;MDCG;27;1;"MARTINI bead: P3_P1";;;;;;;-1.93;;-8.3;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM391815;MM391815;CN=c1[nH]c(N)c(F)n1C;IRTAMTISRZPALQ-UHFFFAOYSA-N;144.15;-0.4;;;;;DOPC;MDCG;27;1;"MARTINI bead: SP1_SNda";;;;;;;0.04;;-4.59;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM391816;MM391816;C=CC(O)C(C=C)C=CC;PGKYUWUREAGYME-UHFFFAOYSA-N;138.21;1.91;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1_Nda";;;;;;;2.91;;0.57;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM391817;MM391817;Cn1c(F)c(N)[nH]c1=NO;ZXLCMNFIQZBOGV-UHFFFAOYSA-N;146.13;-0.64;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNda_SP3";;;;;;;-1.1;;-3.97;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM391818;MM391818;C=CN(C=O)C(=N)C(=O)O;FNZGLHVYVFGMQF-UHFFFAOYSA-N;142.11;-0.35;;;;;DOPC;MDCG;27;0;"MARTINI bead: P3_N0";;;;;;;-0.8;;-6.84;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM391819;MM391819;CCC(N)=C(OC)C(=O)O;RLBAMLFZSZVWFE-UHFFFAOYSA-N;145.16;0.3;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda_P1";;;;;;;0.04;;-7.17;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM391820;MM391820;C=C(C)C(CN)=C(F)CN;SXANMYHXLJPORN-UHFFFAOYSA-N;144.19;0.7;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_P2";;;;;;;-0.24;;-5.28;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM391821;MM391821;CN=c1[nH]c(C)c(C)n1N;IDWGOJCBNIPIGB-UHFFFAOYSA-N;140.19;-0.32;;;;;DOPC;MDCG;27;1;"MARTINI bead: SP2_SN0";;;;;;;0.06;;-5.72;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM391822;MM391822;CCC(F)=C(CO)C(C)=O;YXCKFZXGCYXDCC-UHFFFAOYSA-N;146.16;1.2;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_P1";;;;;;;0.81;;-0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM391823;MM391823;Cc1[nH]c(=NN)n(N)c1C;AAZFPDIXRUJPHK-UHFFFAOYSA-N;141.18;-1.08;;;;;DOPC;MDCG;27;1;"MARTINI bead: SP2_SNd";;;;;;;-0.24;;-5.25;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM391824;MM391824;CC(=O)C(CO)=C(F)CF;CHGAGUQZOBEADZ-UHFFFAOYSA-N;150.12;0.76;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_Na";;;;;;;0.04;;-2.54;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM391825;MM391825;CN=c1[nH]c(N)c(C)n1N;NSMGCZJXYHRSRR-UHFFFAOYSA-N;141.18;-1.05;;;;;DOPC;MDCG;27;1;"MARTINI bead: SP1_SP1";;;;;;;-0.79;;-6.97;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM391826;MM391826;CCC(C(=N)N)=C(F)CN;FECXWRCCFYIIIK-UHFFFAOYSA-N;145.18;0.51;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nda_P2";;;;;;;-0.24;;-6.21;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM391827;MM391827;Cc1c(N)[nH]c(=NN)n1N;MFJORBOEZDTRCP-UHFFFAOYSA-N;142.17;-1.8;;;;;DOPC;MDCG;27;1;"MARTINI bead: SP1_SP2";;;;;;;-1.06;;-6.2;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM391828;MM391828;CCC(C(=N)N)=C(F)CO;UHYZYKHIPKCTOE-UHFFFAOYSA-N;146.17;0.55;;;;;DOPC;MDCG;27;1;"MARTINI bead: P3_C5";;;;;;;-0.33;;-4.77;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM391829;MM391829;CN=c1[nH]c(O)c(C)n1N;SRBJDIFEKZFGTD-UHFFFAOYSA-N;142.16;-0.93;;;;;DOPC;MDCG;27;1;"MARTINI bead: SP1_SP1";;;;;;;-0.79;;-4.86;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM391830;MM391830;CCC(C(=N)N)=C(F)CF;HOAKZKGNBQKAPE-UHFFFAOYSA-N;148.16;1.53;;;;;DOPC;MDCG;27;1;"MARTINI bead: C3_P3";;;;;;;0.6;;-3.46;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM391831;MM391831;CN=c1[nH]c(C)c(N)n1N;AZUJKAKXEWVSPG-UHFFFAOYSA-N;141.18;-1.05;;;;;DOPC;MDCG;27;1;"MARTINI bead: SP2_SP1";;;;;;;-1.06;;-7.63;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM391832;MM391832;N=C(N)C(CO)=C(F)CO;OKWQPRHUGVFHRZ-UHFFFAOYSA-N;148.14;-0.87;;;;;DOPC;MDCG;27;1;"MARTINI bead: P3_P1";;;;;;;-1.93;;-7.04;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM391833;MM391833;Cc1[nH]c(=NN)n(N)c1N;VYXDGVGNDJMGAU-UHFFFAOYSA-N;142.17;-1.8;;;;;DOPC;MDCG;27;1;"MARTINI bead: SP1_SP3";;;;;;;-1.93;;-7.13;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM391834;MM391834;NC(=O)C(CO)=C(F)CO;SSAJMVJSDMKYGO-UHFFFAOYSA-N;149.12;-1.32;;;;;DOPC;MDCG;27;0;"MARTINI bead: P3_P1";;;;;;;-1.93;;-4.72;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM391835;MM391835;CN=c1[nH]c(N)c(N)n1N;XLJFEGIWBSRECR-UHFFFAOYSA-N;142.17;-1.78;;;;;DOPC;MDCG;27;1;"MARTINI bead: SP1_SP2";;;;;;;-1.06;;-7.99;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM391836;MM391836;O=C(O)C(O)CC(F)F;BGOLDFOBUFLIRO-UHFFFAOYSA-N;140.09;0.09;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_P1";;;;;;;-0.79;;-7.19;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM391837;MM391837;NN=c1[nH]c(N)c(N)n1N;AKIDJCADRNQAKH-UHFFFAOYSA-N;143.15;-2.53;;;;;DOPC;MDCG;27;1;"MARTINI bead: SP2_SP2";;;;;;;-1.34;;-7.15;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM391838;MM391838;CCC(C(=N)N)=C(C)NC;LFFJMWQZUZSBRJ-UHFFFAOYSA-N;141.22;0.83;;;;;DOPC;MDCG;27;1;"MARTINI bead: P3_C3";;;;;;;0.6;;-4.79;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM391839;MM391839;CN=c1[nH]c(O)c(N)n1N;LBAALLRFEWAALF-UHFFFAOYSA-N;143.15;-1.65;;;;;DOPC;MDCG;27;1;"MARTINI bead: SP1_SP2";;;;;;;-1.06;;-6.09;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM391840;MM391840;CNC(C)=C(CO)C(=N)N;QQKSXJBGPNEPGI-UHFFFAOYSA-N;143.19;-0.59;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nda_P3";;;;;;;-1.1;;-7.71;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM391841;MM391841;CN=c1[nH]c(C)c(O)n1N;OEWHDNBCXJOWRS-UHFFFAOYSA-N;142.16;-0.93;;;;;DOPC;MDCG;27;1;"MARTINI bead: SP1_SP1";;;;;;;-0.79;;-4.98;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM391842;MM391842;CNC(N)=C(CO)C(=N)N;WHRJGBWQKLSAJW-UHFFFAOYSA-N;144.18;-1.7;;;;;DOPC;MDCG;27;1;"MARTINI bead: P2_P4";;;;;;;-2.29;;-9.14;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM391843;MM391843;Cc1[nH]c(=NO)n(N)c1O;XUBACBBANZPWSW-UHFFFAOYSA-N;144.13;-1.17;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP3_SP1";;;;;;;-1.93;;-4.72;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM391844;MM391844;CNC(N)=C(CF)C(=N)N;JZTRAQNFKVSERG-UHFFFAOYSA-N;146.17;-0.72;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nda_P3";;;;;;;-1.1;;-7.47;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM391845;MM391845;CN=c1[nH]c(N)c(O)n1N;OYBCODWRCUGLNX-UHFFFAOYSA-N;143.15;-1.65;;;;;DOPC;MDCG;27;1;"MARTINI bead: SP1_SP2";;;;;;;-1.06;;-6.17;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM391846;MM391846;CNC(N)=C(CO)C(N)=O;RMEXMMCPFDHGMF-UHFFFAOYSA-N;145.16;-2.15;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_P4";;;;;;;-2.29;;-5.95;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM391847;MM391847;C=C(C)C1CC1C1(O)CC1;XCTPFGITMHYIPH-UHFFFAOYSA-N;138.21;1.72;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC4_SP1";;;;;;;1.37;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM391848;MM391848;CCN(N)C(=NN)OC=O;UAVPIAFPLAUGBL-UHFFFAOYSA-N;146.15;-1.42;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_P3";;;;;;;-0.33;;-2.01;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM391849;MM391849;C#CC1CN(N=CC)C1=O;IYQKUWYEUDASCO-UHFFFAOYSA-N;136.15;0.08;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP1_SP2";;;;;;;-1.06;;-3.82;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM391850;MM391850;COC(C)=C(CO)C(N)=O;IBAHBXWDBRILDF-UHFFFAOYSA-N;145.16;-0.62;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda_P3";;;;;;;-1.1;;-3.97;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM391851;MM391851;Nn1c(O)c(O)[nH]c1=NO;IBJZWKLLTJVFEV-UHFFFAOYSA-N;146.11;-1.77;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP2_SP3";;;;;;;-2.2;;-5.19;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM391852;MM391852;CCC(C(=N)N)=C(N)OC;PGDQAZKPPYTCJW-UHFFFAOYSA-N;143.19;0.15;;;;;DOPC;MDCG;27;1;"MARTINI bead: P3_C5";;;;;;;-0.33;;-5.3;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM391853;MM391853;CN=c1[nH]c(C)c(F)n1N;UWOAHZNWUZBVGH-UHFFFAOYSA-N;144.15;-0.49;;;;;DOPC;MDCG;27;1;"MARTINI bead: SP1_SNda";;;;;;;0.04;;-3.73;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM391854;MM391854;CNN(C)C(=NN)OC=O;PHFJSKOAWHDFAG-UHFFFAOYSA-N;146.15;-1.54;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_P1";;;;;;;-1.06;;-3.82;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM391855;MM391855;Cc1[nH]c(=NO)n(N)c1F;VWZVQNZBQGEYSP-UHFFFAOYSA-N;146.13;-0.73;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP3_SNda";;;;;;;-1.1;;-3.97;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM391856;MM391856;COC(N)=C(CO)C(N)=O;UGCNPXHOALVVRM-UHFFFAOYSA-N;146.15;-1.72;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_P3";;;;;;;-2.2;;-5.19;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM391857;MM391857;CN=c1[nH]c(N)c(F)n1N;NOHRVJUEMHDXSX-UHFFFAOYSA-N;145.14;-1.22;;;;;DOPC;MDCG;27;1;"MARTINI bead: SP1_SP1";;;;;;;-0.79;;-4.63;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM391858;MM391858;N#Cc1[nH]oc(=O)c1O;TYAVBANUDLBIGR-UHFFFAOYSA-N;126.07;-0.45;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNd_SP2";;;;;;;-0.24;;-7.18;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM391859;MM391859;Nc1[nH]c(=NO)n(N)c1F;BNIPSEGQZVWDLD-UHFFFAOYSA-N;147.11;-1.46;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP3_SP1";;;;;;;-1.93;;-4.72;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM391860;MM391860;O=C(O)C(O)(CO)CO;OJSKBWPAXWEHAA-UHFFFAOYSA-N;136.1;-2.21;;;;;DOPC;MDCG;27;0;"MARTINI bead: P4_P1";;;;;;;-2.01;;-8.78;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM391861;MM391861;CN=c1[nH]c(C)c(C)n1O;XTXDQFGXPFWUNW-UHFFFAOYSA-N;141.17;0.2;;;;;DOPC;MDCG;27;1;"MARTINI bead: SP1_SNda";;;;;;;0.04;;-4.64;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM391862;MM391862;CCC(N)=C(OC)C(=N)N;QHDIWOSNOGFSIM-UHFFFAOYSA-N;143.19;0.15;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_P2";;;;;;;-0.24;;-7.26;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM391863;MM391863;Cc1[nH]c(=NO)n(O)c1C;JNIJOBQMEWCACE-UHFFFAOYSA-N;143.15;-0.04;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP3_SNda";;;;;;;-1.1;;-3.97;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM391864;MM391864;CCC(N)=C(OC)C(N)=O;ZAXAMEDCRCKSEO-UHFFFAOYSA-N;144.17;-0.3;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_P3";;;;;;;-0.33;;-2.01;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM391865;MM391865;CN=c1[nH]c(N)c(C)n1O;UZLCBRBYMOBDAR-UHFFFAOYSA-N;142.16;-0.53;;;;;DOPC;MDCG;27;1;"MARTINI bead: SP1_SP2";;;;;;;-1.06;;-6.03;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM391866;MM391866;COC(C(N)=O)=C(N)CO;FEUDVSPTFITZQL-UHFFFAOYSA-N;146.15;-1.72;;;;;DOPC;MDCG;27;0;"MARTINI bead: P3_P2";;;;;;;-2.2;;-5.19;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM391867;MM391867;Nc1c(C=O)ncn1C=O;MLWBCYBJVQUGBF-UHFFFAOYSA-N;139.11;-0.68;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP1_SP2";;;;;;;-1.06;;-3.82;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM391868;MM391868;CC(CO)(OC=O)C(=O)O;RCDURCYBWBCQRK-UHFFFAOYSA-N;148.11;-1.01;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_P1";;;;;;;-0.79;;-7.19;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM391869;MM391869;CN=c1[nH]c(C)c(N)n1O;ZNWYGEQINZGGDK-UHFFFAOYSA-N;142.16;-0.53;;;;;DOPC;MDCG;27;1;"MARTINI bead: SP2_SP1";;;;;;;-1.06;;-6.14;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM391870;MM391870;O=C(O)C1OC1CO;LSGZBGRCKNOCHE-UHFFFAOYSA-N;118.09;-1.17;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP2_P1";;;;;;;-1.06;;-7.84;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM391871;MM391871;Cc1[nH]c(=NO)n(O)c1N;JRTKOAWHKRPWKA-UHFFFAOYSA-N;144.13;-0.77;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP3_SP1";;;;;;;-1.93;;-4.72;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM391872;MM391872;C=C(F)C(OC)=C(F)CO;WWGVPVNCTMWQBA-UHFFFAOYSA-N;150.12;1.29;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda_C5";;;;;;;1.64;;0.05;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM391873;MM391873;CN=c1[nH]c(N)c(N)n1O;KMBXGDXDXOHWDX-UHFFFAOYSA-N;143.15;-1.25;;;;;DOPC;MDCG;27;1;"MARTINI bead: SP1_SP2";;;;;;;-1.06;;-6.53;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM391874;MM391874;CNC(C)=C(OC)C(=N)N;BFZRVRWQJGAJDZ-UHFFFAOYSA-N;143.19;0.02;;;;;DOPC;MDCG;27;1;"MARTINI bead: P2_Nda";;;;;;;-0.24;;-7.33;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM391875;MM391875;NN=c1[nH]c(N)c(N)n1O;ZCOLTAAFGQYYCA-UHFFFAOYSA-N;144.14;-2.01;;;;;DOPC;MDCG;27;1;"MARTINI bead: SP2_SP2";;;;;;;-1.34;;-5.57;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM391876;MM391876;CNC(C)=C(OC)C(N)=O;UAOFVJZMIWQBRH-UHFFFAOYSA-N;144.17;-0.43;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_Nda";;;;;;;-0.24;;-3.31;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM391877;MM391877;C#CC1OC1C(=NN)NN;RDLDLJQYTDUENR-UHFFFAOYSA-N;140.15;-1.88;;;;;DOPC;MDCG;27;0;"MARTINI bead: P4_SNa";;;;;;;-1.19;;-4.76;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM391878;MM391878;O=CNC=NOCC(=O)O;SINKYIFYAONNAK-UHFFFAOYSA-N;146.1;-1.22;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_P4";;;;;;;-2.01;;-8.78;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM391879;MM391879;NN=CC=NNCC=CF;ZVBPWICXFKQDPE-UHFFFAOYSA-N;144.15;-0.01;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_C5";;;;;;;0.81;;-0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM391880;MM391880;CNC(N)=C(OC)C(=N)N;QERXJZDEWPZBHA-UHFFFAOYSA-N;144.18;-1.08;;;;;DOPC;MDCG;27;1;"MARTINI bead: P2_P2";;;;;;;-1.34;;-8.23;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM391881;MM391881;Nc1[nH]c(=NO)n(O)c1O;VBTGBOVPCNKZHJ-UHFFFAOYSA-N;146.11;-1.37;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP3_SP2";;;;;;;-2.2;;-5.19;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM391882;MM391882;COC(N)=C(OC)C(=N)N;PUZNTSCRBAMJJV-UHFFFAOYSA-N;145.16;-0.66;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nda_P3";;;;;;;-1.1;;-7.09;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM391883;MM391883;COc1con(N)c1=NN;KOOWIZCRSLNGNK-UHFFFAOYSA-N;144.13;-1.42;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNa_SP2";;;;;;;-0.24;;-3.24;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM391884;MM391884;COC(N)=C(OC)C(N)=O;QUSNWUNIHZERLX-UHFFFAOYSA-N;146.15;-1.11;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda_P3";;;;;;;-1.1;;-3.97;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM391885;MM391885;C=Cc1non(N)c1=NN;LTCAIXCPNYGOBF-UHFFFAOYSA-N;141.13;-1.39;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNa_SP2";;;;;;;-0.24;;-3.24;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM391886;MM391886;C=CC(C)=C(CN)C(=C)C;OTMKVGFHLSFJFW-UHFFFAOYSA-N;137.23;2.02;;;;;DOPC;MDCG;27;1;"MARTINI bead: C4_N0";;;;;;;2.5;;-0.63;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM391887;MM391887;O=c1[nH]oc2c(O)nnn12;UTWAAEYEZPONHP-UHFFFAOYSA-N;142.07;-1.28;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP2_SP2";;;;;;;-1.34;;-8.72;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM391888;MM391888;C=C(C)C(CF)=C(C)C=O;RKFRRUYZJCMLGS-UHFFFAOYSA-N;142.17;2.05;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4_Na";;;;;;;2.2;;0.34;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM391889;MM391889;NN=c1c(N)cnnn1N;ROGXAFHHDIVXLW-UHFFFAOYSA-N;141.14;-2.65;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP3_SP2";;;;;;;-2.2;;-5.19;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM391890;MM391890;CCC(C(=N)N)=C(C)C=O;ALSLGFJRIFSNRQ-UHFFFAOYSA-N;140.19;0.85;;;;;DOPC;MDCG;27;1;"MARTINI bead: P3_C4";;;;;;;0.23;;-4.83;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM391891;MM391891;Cc1oc(=NO)n(C)c1C;FSAAKFODMDKVGH-UHFFFAOYSA-N;142.16;0.52;;;;;DOPC;MDCG;27;0;"MARTINI bead: SN0_SP1";;;;;;;0.34;;-1.53;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM391892;MM391892;C=CC(C)=C(CN)C(=N)N;KHRIDULRVIAXLW-UHFFFAOYSA-N;139.2;0.38;;;;;DOPC;MDCG;27;1;"MARTINI bead: N0_P3";;;;;;;-0.8;;-6.89;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM391893;MM391893;N#CC(C=O)=C(N)C1CN1;FIPILVVOVRBLPM-UHFFFAOYSA-N;137.14;-1.11;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP2_P2";;;;;;;-1.34;;-4.31;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM391894;MM391894;C=CC(C)=C(CO)C(=N)N;AMCFXDNPJSFDHE-UHFFFAOYSA-N;140.19;0.42;;;;;DOPC;MDCG;27;1;"MARTINI bead: C5_P3";;;;;;;-0.33;;-5.85;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM391895;MM391895;Cc1c(N)oc(=NO)n1C;ZSRIUWSLRSCSAB-UHFFFAOYSA-N;143.15;-0.2;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNd_SP1";;;;;;;0.04;;-2.63;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM391896;MM391896;CC(C=O)=C(CO)C(=N)N;UJEYIPUGSAHLAJ-UHFFFAOYSA-N;142.16;-0.57;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1_P3";;;;;;;-1.93;;-8.08;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM391897;MM391897;CN=c1oc(F)c(C)n1C;ZGRJYZMJOGTHDR-UHFFFAOYSA-N;144.15;0.6;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNa_SN0";;;;;;;1.17;;-1.18;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM391898;MM391898;C=NNC(OC)=C(C)C=O;RKKROFMPXCKEAS-UHFFFAOYSA-N;142.16;0.27;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_P2";;;;;;;0.54;;-1.09;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM391899;MM391899;CCC1=NN=C(NN)CC1;OZOLRNRGRPFAGX-UHFFFAOYSA-N;140.19;0.41;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC5_SNd";;;;;;;1.64;;0.03;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM391900;MM391900;C=CC(C)=C(CN)C(N)=O;XDEYKATWEOQRSA-UHFFFAOYSA-N;140.19;-0.07;;;;;DOPC;MDCG;27;1;"MARTINI bead: N0_P3";;;;;;;-0.8;;-4.12;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM391901;MM391901;CN=c1oc(C)c(N)n1C;QYLYFDRVMIYUEN-UHFFFAOYSA-N;141.17;0.04;;;;;DOPC;MDCG;27;1;"MARTINI bead: SP1_SNd";;;;;;;0.04;;-4.77;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM391902;MM391902;C=C(F)C(CO)=C(C)C=O;CWPCXGUEEQIHDJ-UHFFFAOYSA-N;144.15;0.98;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_C5";;;;;;;0.54;;-1.09;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM391903;MM391903;Cc1oc(=NO)n(C)c1N;YJKIZHJPZDVPLV-UHFFFAOYSA-N;143.15;-0.2;;;;;DOPC;MDCG;27;0;"MARTINI bead: SN0_SP2";;;;;;;0.06;;-2.21;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM391904;MM391904;C=CC(N)=C(CO)C(=N)N;KNBGYDUETVDSKP-UHFFFAOYSA-N;141.17;-0.69;;;;;DOPC;MDCG;27;1;"MARTINI bead: P3_P1";;;;;;;-1.93;;-8.35;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM391905;MM391905;CN=c1oc(N)c(N)n1C;ZRTIVTATAUHWQO-UHFFFAOYSA-N;142.16;-0.69;;;;;DOPC;MDCG;27;1;"MARTINI bead: SP1_SP2";;;;;;;-1.06;;-6;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM391906;MM391906;N=C(N)C(CO)=C(N)C=O;UEKLYGVAZFOTQI-UHFFFAOYSA-N;143.15;-1.67;;;;;DOPC;MDCG;27;1;"MARTINI bead: P4_P2";;;;;;;-2.29;;-8.94;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM391907;MM391907;Cn1c(N)c(N)oc1=NO;CMFIQCPYGVQMFT-UHFFFAOYSA-N;144.13;-0.93;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP1_SP1";;;;;;;-0.79;;-3.13;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM391908;MM391908;N=C(N)C(CF)=C(N)C=O;NPDLNCOTQRCDMC-UHFFFAOYSA-N;145.14;-0.7;;;;;DOPC;MDCG;27;1;"MARTINI bead: P2_P2";;;;;;;-1.34;;-7.55;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM391909;MM391909;C=CCC(O)CC;UOGFCIYBLKSQHL-UHFFFAOYSA-N;100.16;1.33;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda_C4";;;;;;;2.2;;0.49;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM391910;MM391910;NC(=O)C(CF)=C(N)C=O;AAHUZDBQSVEQKU-UHFFFAOYSA-N;146.12;-1.15;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_P2";;;;;;;-1.34;;-4.31;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM391911;MM391911;Cn1c(N)c(O)oc1=NO;FESVXYNQVPNOMQ-UHFFFAOYSA-N;145.12;-0.8;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP2_SP1";;;;;;;-1.06;;-3.82;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM391912;MM391912;N#CC(N)=C(CF)C(N)=O;BZDGUYKDMSEOID-UHFFFAOYSA-N;143.12;-0.82;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_Na";;;;;;;-0.24;;-3.24;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM391913;MM391913;C=CC(C)C(C)O;COIPQIFWUIDWLU-UHFFFAOYSA-N;100.16;1.19;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_C3";;;;;;;1.74;;0.29;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM391914;MM391914;CON=C(CO)C(=O)O;RQWJBBNNWXMCJK-UHFFFAOYSA-N;133.1;-0.93;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_P1";;;;;;;-0.79;;-7.19;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM391915;MM391915;Cn1c(O)c(N)oc1=NN;QIRLLCJSMBLONY-UHFFFAOYSA-N;144.13;-1.32;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP2_SP1";;;;;;;-1.06;;-3.82;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM391916;MM391916;C=C(C)C(CC)=C(F)C=O;INIJGRBPLGHSIL-UHFFFAOYSA-N;142.17;2.4;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4_C5";;;;;;;2.97;;0.45;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM391917;MM391917;Cn1c(O)c(N)oc1=NO;WJVJZVCZKBHPOY-UHFFFAOYSA-N;145.12;-0.8;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP2_SP1";;;;;;;-1.06;;-3.82;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM391918;MM391918;C=CC(F)=C(CN)C(=C)C;BKHRAWYRIWJVAT-UHFFFAOYSA-N;141.19;1.93;;;;;DOPC;MDCG;27;1;"MARTINI bead: C4_Nda";;;;;;;2.2;;-1.35;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM391919;MM391919;O=C1NOCC1F;CNGJXAXAYRZYDU-UHFFFAOYSA-N;105.07;-0.61;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP1_SP1";;;;;;;-0.79;;-7.61;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM391920;MM391920;C=CC(F)=C(CC)C(C)=O;WLOZKCUURGHKNY-UHFFFAOYSA-N;142.17;2.4;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_C1";;;;;;;2.91;;0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM391921;MM391921;O=c1[nH]c(O)c(O)c(=O)o1;ISYVSBRALKZIOZ-UHFFFAOYSA-N;145.07;-1.26;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP2_SP3";;;;;;;-2.2;;-9.31;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM391922;MM391922;CCC(C(C)=O)=C(F)C=O;BCPPSISBUXVYQN-UHFFFAOYSA-N;144.15;1.41;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_C5";;;;;;;1.64;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM391923;MM391923;CCC(C(C)=O)=C(F)C#N;UCWRBYPPNCOLAI-UHFFFAOYSA-N;141.15;1.73;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_C4";;;;;;;2.2;;0.34;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM391924;MM391924;C=C(C)n1onc(O)c1=O;TXTISLLCZDAKGM-UHFFFAOYSA-N;142.11;0.03;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP1_SP1";;;;;;;-0.79;;-7.61;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM391925;MM391925;CC(=O)C(CF)=C(F)C=O;VBGWULVSESAGCT-UHFFFAOYSA-N;148.11;0.97;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_Na";;;;;;;0.87;;-2.22;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM391926;MM391926;CN=c1oc(C)c(F)n1C;PNXGCMRPFQGOTG-UHFFFAOYSA-N;144.15;0.6;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP1_SNa";;;;;;;0.04;;-2.54;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM391927;MM391927;C=CC(F)=C(CC)C(=N)N;NTEKZZWBRUBFJT-UHFFFAOYSA-N;142.18;1.74;;;;;DOPC;MDCG;27;1;"MARTINI bead: P3_C1";;;;;;;0.94;;-2.73;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM391928;MM391928;CC=NN=CC(C)=O;USHAFHCSYDADDO-UHFFFAOYSA-N;112.13;0.65;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_Na";;;;;;;1.64;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM391929;MM391929;N=C(N)C(CO)=C(F)C=O;IIGWQKNXZFRCKA-UHFFFAOYSA-N;146.12;-0.66;;;;;DOPC;MDCG;27;1;"MARTINI bead: P3_Nda";;;;;;;-1.1;;-5.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM391930;MM391930;C=NOC1=NNCC1;CLHPZUPVKSBPSN-UHFFFAOYSA-N;113.12;-0.07;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP1_SP1";;;;;;;-0.79;;-3.13;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM391931;MM391931;NC(=O)C(CF)=C(F)C=O;SYENHHXPNYFYOL-UHFFFAOYSA-N;149.1;-0.14;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda_P2";;;;;;;-0.24;;-3.31;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM391932;MM391932;C=CC(C)(C)CC(C)O;WWMIHTXQUFJMCN-UHFFFAOYSA-N;128.22;1.97;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda_C2";;;;;;;2.83;;0.57;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM391933;MM391933;CCC(C(=O)O)=C(F)C#N;ROPWJVOJZNODFC-UHFFFAOYSA-N;143.12;1.23;;;;;DOPC;MDCG;27;-1;"MARTINI bead: P1_C4";;;;;;;1.37;;-5.66;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM391934;MM391934;CN(C)n1onc(O)c1=O;AQQUWKTWBQEKQE-UHFFFAOYSA-N;145.12;-1.26;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP3_SP1";;;;;;;-1.93;;-8.8;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM391935;MM391935;C=C(C)C(NC)=C(C)C=O;WOZFBKKTMIRKGN-UHFFFAOYSA-N;139.2;1.25;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4_P2";;;;;;;1.09;;-0.38;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM391936;MM391936;COC(C#N)(C#N)C=NO;PXFWQXKMJLXTNJ-UHFFFAOYSA-N;139.11;-0.12;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_P1";;;;;;;-0.79;;-7.61;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM391937;MM391937;CNC(C(=N)N)=C(C)C=O;DYYBLMAKVPYCTK-UHFFFAOYSA-N;141.17;-0.39;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1_P2";;;;;;;-1.06;;-8.33;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM391938;MM391938;N=C(N=CNC=O)C(=O)O;MPGLMXLDZSIELB-UHFFFAOYSA-N;143.1;-1.18;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_P3";;;;;;;-1.93;;-8.8;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM391939;MM391939;C#CCOC(=NN)NNC;XCRGDSSNSUBRQJ-UHFFFAOYSA-N;142.16;-1.41;;;;;DOPC;MDCG;27;0;"MARTINI bead: P3_Nda";;;;;;;-1.1;;-3.97;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM391940;MM391940;CN=c1oc(F)c(F)n1C;LGXRBJYRBAGNNV-UHFFFAOYSA-N;148.11;0.43;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNa_SNa";;;;;;;0.87;;-2.22;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM391941;MM391941;NN=C(NC=CF)OC=O;QSQTVIRBDDJPEV-UHFFFAOYSA-N;147.11;-0.58;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda_P1";;;;;;;0.04;;-2.73;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM391942;MM391942;CC1=CC2(C)CC1(O)C2;FTBGFWCAGUKUCV-UHFFFAOYSA-N;124.18;1.48;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC3_SNda";;;;;;;2.57;;0.44;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM391943;MM391943;CNC(C(=N)N)=C(N)C=O;YTUVTKFZKPBTJI-UHFFFAOYSA-N;142.16;-1.49;;;;;DOPC;MDCG;27;1;"MARTINI bead: P3_P2";;;;;;;-2.2;;-9.17;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM391944;MM391944;CN=c1oc(C)c(C)n1N;ZCQSTRWBKZRYHD-UHFFFAOYSA-N;141.17;-0.06;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP1_SN0";;;;;;;0.34;;-1.53;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM391945;MM391945;C=CC#CC(=NN)NN=C;GBVGNTNGCWIQLN-UHFFFAOYSA-N;136.16;-0.35;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_C4";;;;;;;1.37;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM391946;MM391946;CC(C)=NN=C(C)NN;HXMCHEKUHUZZBH-UHFFFAOYSA-N;128.18;0.26;;;;;DOPC;MDCG;27;0;"MARTINI bead: N0_P1";;;;;;;0.34;;-1.53;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM391947;MM391947;C=C(C)C(OC)=C(C)C#N;DPSGUQVEBVIMFH-UHFFFAOYSA-N;137.18;2.01;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4_Na";;;;;;;2.2;;0.34;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM391948;MM391948;Cc1oc(=NO)n(N)c1C;HTYHSTLAQPVXBU-UHFFFAOYSA-N;143.15;-0.3;;;;;DOPC;MDCG;27;0;"MARTINI bead: SN0_SP1";;;;;;;0.34;;-1.53;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM391949;MM391949;COC(C(C)=O)=C(C)C#N;VXZOSMBDMXGRQV-UHFFFAOYSA-N;139.15;1.02;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_Na";;;;;;;0.87;;-2.22;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM391950;MM391950;C#CC12CCC(O)(C1)C2;IPJYVSCKWIXLJJ-UHFFFAOYSA-N;122.17;0.92;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNda_SC4";;;;;;;2.2;;0.49;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM391951;MM391951;COC(C(=N)N)=C(C)C#N;OXFWWVNFAGLQAZ-UHFFFAOYSA-N;139.16;0.37;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nda_P2";;;;;;;-0.24;;-6.65;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM391952;MM391952;CCCC(=O)C=NNC;FMZYICNXQRJDEY-UHFFFAOYSA-N;128.18;0.56;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_P2";;;;;;;0.54;;-1.09;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM391953;MM391953;COC(C(N)=O)=C(C)C#N;HYXJZDUGTWKTNK-UHFFFAOYSA-N;140.14;-0.08;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda_P2";;;;;;;-0.24;;-3.31;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM391954;MM391954;Cc1c(N)oc(=NO)n1N;JIEFLNQSVDUMQL-UHFFFAOYSA-N;144.13;-1.02;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNd_SP2";;;;;;;-0.24;;-3.16;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM391955;MM391955;C#CC(C(=O)O)N(C)C=O;CPFNWSNSAYGVEI-UHFFFAOYSA-N;141.13;-0.84;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_P1";;;;;;;-0.79;;-7.19;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM391956;MM391956;CN=c1oc(F)c(C)n1N;CQEHXOYKTJSAOI-UHFFFAOYSA-N;145.14;-0.23;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNa_SP1";;;;;;;0.04;;-2.54;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM391957;MM391957;C=C(F)C(OC)=C(C)C#N;PKZFOEMERODKAT-UHFFFAOYSA-N;141.15;1.91;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_Na";;;;;;;1.64;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM391958;MM391958;CN(C=NN)N=CCF;HKRMGLJPFULPRN-UHFFFAOYSA-N;132.14;-0.22;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_Na";;;;;;;-0.24;;-3.24;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM391959;MM391959;COC(C(=N)N)=C(N)C=O;BLGVDTDNDKLZMB-UHFFFAOYSA-N;143.15;-1.06;;;;;DOPC;MDCG;27;1;"MARTINI bead: P2_P2";;;;;;;-1.34;;-7.82;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM391960;MM391960;C=C(C)C(=C)C(O)CC;AUFKGSHUKWBNPV-UHFFFAOYSA-N;126.2;1.89;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda_C3";;;;;;;2.57;;0.44;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM391961;MM391961;NN=c1[nH]n(O)c(=O)n1O;RYBNCMREGGLMKE-UHFFFAOYSA-N;147.09;-2.77;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP5_SP3";;;;;;;-3.08;;-10.26;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM391962;MM391962;Cc1oc(=NO)n(N)c1N;JEWIULZUERAQAZ-UHFFFAOYSA-N;144.13;-1.02;;;;;DOPC;MDCG;27;0;"MARTINI bead: SN0_SP3";;;;;;;-0.8;;-2.99;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM391963;MM391963;COC(C(C)=O)=C(F)C#N;OEESZBAHKZZQIX-UHFFFAOYSA-N;143.12;0.93;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_C5";;;;;;;1.64;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM391964;MM391964;CCC=NN=C(C)NN;QZMBUIVMEIFXOO-UHFFFAOYSA-N;128.18;0.26;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1_P3";;;;;;;0.94;;0.03;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM391965;MM391965;COC(C(=N)N)=C(F)C=O;QNIIHMNEXWJYAV-UHFFFAOYSA-N;146.12;-0.05;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nda_P2";;;;;;;-0.24;;-5.6;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM391966;MM391966;Nc1oc(=NO)n(N)c1N;ZSGSJBCAHSVGJG-UHFFFAOYSA-N;145.12;-1.75;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP1_SP2";;;;;;;-1.06;;-3.82;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM391967;MM391967;COC(C(N)=O)=C(F)C=O;PVBSTOQKUSBNCP-UHFFFAOYSA-N;147.11;-0.5;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda_P2";;;;;;;-0.24;;-3.31;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM391968;MM391968;C=CC=NN=C(C)NN;AZORYSGLSPISOD-UHFFFAOYSA-N;126.16;0.04;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_N0";;;;;;;0.34;;-1.53;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM391969;MM391969;Oc1nc(CF)n[nH]1;NEGNYWQMVMSZDJ-UHFFFAOYSA-N;117.08;-0.02;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP2_SP1";;;;;;;-1.06;;-7.84;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM391970;MM391970;NN=c1oc(O)c(N)n1N;XGOUOAWDZRUVEJ-UHFFFAOYSA-N;145.12;-2.14;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP1_SP3";;;;;;;-1.93;;-4.72;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM391971;MM391971;C#CC(C)=C(CN)C(=C)C;IEGJCOHWDLVIMI-UHFFFAOYSA-N;135.21;1.47;;;;;DOPC;MDCG;27;1;"MARTINI bead: C4_P1";;;;;;;1.37;;-2.1;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM391972;MM391972;Nc1c(O)oc(=NO)n1N;DESNJBNNXYUVDN-UHFFFAOYSA-N;146.11;-1.63;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP1_SP3";;;;;;;-1.93;;-4.72;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM391973;MM391973;C#CC(C)=C(CF)C(=C)C;JHEOXLYEGFWQFQ-UHFFFAOYSA-N;138.19;2.48;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1_P1";;;;;;;2.08;;0.48;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM391974;MM391974;CN=c1oc(F)c(N)n1N;YWJXXFLFKAXLCD-UHFFFAOYSA-N;146.13;-0.95;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNa_SP2";;;;;;;-0.24;;-3.24;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM391975;MM391975;C#CC(C)=C(CO)C(C)=O;NBWLGEOLDGDBSD-UHFFFAOYSA-N;138.17;0.52;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda_P1";;;;;;;0.04;;-2.73;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM391976;MM391976;C=CC(=C)C(O)CCC;JXGUMORYQSMGJQ-UHFFFAOYSA-N;126.2;1.89;;;;;DOPC;MDCG;27;0;"MARTINI bead: C3_Nda";;;;;;;2.57;;0.44;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM391977;MM391977;C#CC(C)=C(CF)C(=N)N;UZDGVTSGUSWPPB-UHFFFAOYSA-N;140.16;0.84;;;;;DOPC;MDCG;27;1;"MARTINI bead: C4_P3";;;;;;;0.23;;-4.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM391978;MM391978;CN=c1oc(N)c(O)n1N;KBMXFMYWBVYKDE-UHFFFAOYSA-N;144.13;-1.39;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP1_SP2";;;;;;;-1.06;;-3.82;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM391979;MM391979;C#CC(C)=C(CO)C(N)=O;VBAZUCOAJIXIDR-UHFFFAOYSA-N;139.15;-0.59;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda_P3";;;;;;;-1.1;;-3.97;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM391980;MM391980;NN=c1oc(N)c(O)n1N;XVPQENYDYXFIPN-UHFFFAOYSA-N;145.12;-2.14;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP1_SP2";;;;;;;-1.06;;-3.82;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM391981;MM391981;C#CC(C)=C(CF)C(N)=O;VIHBSPUTUOGTBU-UHFFFAOYSA-N;141.15;0.39;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4_P3";;;;;;;0.23;;-1.03;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM391982;MM391982;Nc1oc(=NO)n(N)c1O;FXMOBVFAHNBHTA-UHFFFAOYSA-N;146.11;-1.63;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP2_SP2";;;;;;;-1.34;;-4.31;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM391983;MM391983;C#CC(N)=C(CC)C(=N)N;ZZUNGCOCTJGHBB-UHFFFAOYSA-N;137.19;0.18;;;;;DOPC;MDCG;27;1;"MARTINI bead: P3_C5";;;;;;;-0.33;;-5.7;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM391984;MM391984;N=c1nncc(O)o1;ILRXQTNLQXCVOF-UHFFFAOYSA-N;113.08;-0.75;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP3_SP3";;;;;;;-3.07;;-10.09;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM391985;MM391985;C#CC(N)=C(CO)C(=N)N;BOQDUUIKRQZBFY-UHFFFAOYSA-N;139.16;-1.24;;;;;DOPC;MDCG;27;1;"MARTINI bead: P3_P2";;;;;;;-2.2;;-8.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM391986;MM391986;C#Cc1n[nH]n(C=N)c1=O;NSXFVQCZLYFOCS-UHFFFAOYSA-N;136.11;-0.99;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP3_SP1";;;;;;;-1.93;;-8.8;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM391987;MM391987;C#CC(N)=C(CO)C(N)=O;YBJBMLFZCRXICK-UHFFFAOYSA-N;140.14;-1.69;;;;;DOPC;MDCG;27;0;"MARTINI bead: P3_P2";;;;;;;-2.2;;-5.19;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM391988;MM391988;CN=c1nn[nH]c(=NC)o1;JKASTBORLFELOO-UHFFFAOYSA-N;141.13;-1.54;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP2_SP2";;;;;;;-1.34;;-8.72;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM391989;MM391989;CC#Cc1n[nH]c(O)n1;RPVVYFNMOMVJBA-UHFFFAOYSA-N;123.12;-0.12;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNda_SP2";;;;;;;-0.24;;-7.33;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM391990;MM391990;CN=c1oc(C)c(F)n1N;KNHAQLWYKISHMH-UHFFFAOYSA-N;145.14;-0.23;;;;;DOPC;MDCG;27;0;"MARTINI bead: SN0_SNda";;;;;;;1.17;;-1.13;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM391991;MM391991;C#CC(F)=C(CF)C(C)=O;CUMYSFJWSPHSOV-UHFFFAOYSA-N;144.12;1.4;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_C5";;;;;;;1.64;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM391992;MM391992;CN1CC(=O)C1(C)C#N;IBCGWMNICBPKLH-UHFFFAOYSA-N;124.14;-0.22;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP2_SP1";;;;;;;-1.06;;-3.82;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM391993;MM391993;C#CC(F)=C(CO)C(=N)N;XPQVSGFXPHPGGQ-UHFFFAOYSA-N;142.13;-0.23;;;;;DOPC;MDCG;27;1;"MARTINI bead: P2_P1";;;;;;;-1.06;;-5.92;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM391994;MM391994;C#CC(=CC=O)NN=C;QGBQRFDTLLIEJH-UHFFFAOYSA-N;122.13;-0.09;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_P2";;;;;;;0.54;;-1.09;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM391995;MM391995;C#CC(N)=C(OC)C(=N)N;IUHPAHSTUKQIGA-UHFFFAOYSA-N;139.16;-0.63;;;;;DOPC;MDCG;27;1;"MARTINI bead: P3_Nda";;;;;;;-1.1;;-7.46;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM391996;MM391996;Cc1[nH]c(N)c(C)c1C;VYYAORSNLWIOSS-UHFFFAOYSA-N;124.19;1.52;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNd_SC5";;;;;;;1.64;;0.03;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM391997;MM391997;C#CC(F)=C(OC)C(C)=O;FNIJETXKBPVCGD-UHFFFAOYSA-N;142.13;1.04;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_C5";;;;;;;1.64;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM391998;MM391998;C=NOC(CC=O)C(=O)O;JJSBZVFDOCFDEU-UHFFFAOYSA-N;145.11;-0.34;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_Na";;;;;;;0.04;;-7.01;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM391999;MM391999;C#CC(F)=C(OC)C(N)=O;HEICMJKGWOUJRK-UHFFFAOYSA-N;143.12;-0.07;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda_P1";;;;;;;0.04;;-2.73;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM392000;MM392000;NC=C(C(=O)O)C(=O)NN;KZRJOEVWPFKCKK-UHFFFAOYSA-N;145.12;-2.1;;;;;DOPC;MDCG;27;0;"MARTINI bead: P4_P1";;;;;;;-2.01;;-8.95;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM392001;MM392001;O=CC(=NO)C(F)C=NO;FYKYEHBJXARHTJ-UHFFFAOYSA-N;148.09;-0.19;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda_P2";;;;;;;-0.24;;-7.33;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM392002;MM392002;NC(C#CCF)=CC(=O)O;NOKXSNUQHLMFOK-UHFFFAOYSA-N;143.12;-0.11;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_Nda";;;;;;;0.04;;-7.18;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM392003;MM392003;C=C(C)C(C=O)=C(C)CO;UUIYWMCHBMHVGF-UHFFFAOYSA-N;140.18;1.07;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4_P3";;;;;;;0.23;;-1.03;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM392004;MM392004;CN=c1oc(F)c(F)n1N;VTWYODSGNHOSJC-UHFFFAOYSA-N;149.1;-0.4;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNa_SNda";;;;;;;0.87;;-1.99;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM392005;MM392005;C=C(C)C(C=O)=C(C)CF;MORCSOGIBCYZBX-UHFFFAOYSA-N;142.17;2.05;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4_Na";;;;;;;2.2;;0.34;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM392006;MM392006;C=C(C)C(C#N)=C(C)CF;XEJRGPQIIOANBP-UHFFFAOYSA-N;139.17;2.37;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4_Na";;;;;;;2.2;;0.34;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM392007;MM392007;NN=Cn1ncc(=O)o1;HDHSZOCPTPUTLV-UHFFFAOYSA-N;128.09;-1.41;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP2_SP3";;;;;;;-2.2;;-5.19;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM392008;MM392008;C=CC(C(C)=O)=C(C)CO;ZZKSPTCGZILFCM-UHFFFAOYSA-N;140.18;1.07;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4_P3";;;;;;;0.23;;-1.03;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM392009;MM392009;NN=c1cc(N)on1N;WYNVLRHRLSHMOA-UHFFFAOYSA-N;129.12;-1.85;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP1_SP2";;;;;;;-1.06;;-3.82;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM392010;MM392010;CCC(C)=C(C#N)C(C)=O;JTLBMVPODDUGJX-UHFFFAOYSA-N;137.18;1.83;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_Na";;;;;;;1.64;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM392011;MM392011;CC(=O)C(C)(C)N1CC1;MXUDCTCAOCMLLB-UHFFFAOYSA-N;127.19;0.67;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_SNd";;;;;;;0.87;;-1.88;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM392012;MM392012;C=CC(C(=N)N)=C(C)CF;VYOWOWUGBNIEME-UHFFFAOYSA-N;142.18;1.39;;;;;DOPC;MDCG;27;1;"MARTINI bead: C3_P3";;;;;;;0.6;;-4.61;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM392013;MM392013;Cc1oc(=NO)n(O)c1C;XGJKENHOEUEVBU-UHFFFAOYSA-N;144.13;0.23;;;;;DOPC;MDCG;27;0;"MARTINI bead: SN0_SP1";;;;;;;0.34;;-1.53;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM392014;MM392014;C=CC(C(N)=O)=C(C)CN;PIPMLGIXNZMOEF-UHFFFAOYSA-N;140.19;-0.07;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_P3";;;;;;;-1.1;;-5.95;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM392015;MM392015;C#CC1CN(N=C)C1=O;ZUINCUZRNKFAGO-UHFFFAOYSA-N;122.13;-0.31;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP2_SP2";;;;;;;-1.34;;-4.31;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM392016;MM392016;C=C(C)C(C=O)=C(N)CF;JYBKVTGQJUGSJC-UHFFFAOYSA-N;143.16;0.94;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda_Na";;;;;;;0.87;;-1.99;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM392017;MM392017;C=C1C(=O)ONC1=NN;ZPJLOTVTVWALEF-UHFFFAOYSA-N;127.1;-1.12;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP2_SP1";;;;;;;-1.06;;-3.82;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM392018;MM392018;CC(=O)C(C=O)=C(N)CF;QGUBXPHHZLPTSS-UHFFFAOYSA-N;145.13;-0.04;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_Na";;;;;;;0.04;;-2.54;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM392019;MM392019;Cc1c(N)oc(=NO)n1O;OOJPAOOEBXGXES-UHFFFAOYSA-N;145.12;-0.5;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNd_SP2";;;;;;;-0.24;;-3.16;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM392020;MM392020;CN(N)C(=NN)OCCF;PNGZLUWCUVAGKQ-UHFFFAOYSA-N;150.16;-0.99;;;;;DOPC;MDCG;27;0;"MARTINI bead: P3_C5";;;;;;;-0.33;;-2.01;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM392021;MM392021;Cn1ncc(=NN)n1N;BMQPDDTVOWUPEI-UHFFFAOYSA-N;128.14;-2.29;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP3_SP3";;;;;;;-3.07;;-6.15;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM392022;MM392022;NC(=O)C(C=O)=C(N)CF;IQRNACVEXYLVHC-UHFFFAOYSA-N;146.12;-1.15;;;;;DOPC;MDCG;27;0;"MARTINI bead: P3_Na";;;;;;;-1.1;;-4.2;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM392023;MM392023;C=Cn1nnc(N)c1C;VPDDYUQGBPSEBI-UHFFFAOYSA-N;124.15;0.27;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP2_SP1";;;;;;;-1.06;;-3.82;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM392024;MM392024;N#CC(C(N)=O)=C(N)CF;MVFZSAABFMDLMK-UHFFFAOYSA-N;143.12;-0.82;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_Na";;;;;;;-0.24;;-3.24;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM392025;MM392025;Cc1[nH]cc(CF)c1N;ZAZCWYTWBWUSFI-UHFFFAOYSA-N;128.15;1.37;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNd_SNda";;;;;;;0.87;;-1.92;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM392026;MM392026;N=CN=CN=C(N)C(=O)O;YCCZWMIRJNCOSM-UHFFFAOYSA-N;142.12;-0.94;;;;;DOPC;MDCG;27;0;"MARTINI bead: P3_P1";;;;;;;-1.93;;-8.56;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM392027;MM392027;Cc1oc(=NO)n(O)c1N;WGEIHEMGKOFFPD-UHFFFAOYSA-N;145.12;-0.5;;;;;DOPC;MDCG;27;0;"MARTINI bead: SN0_SP2";;;;;;;0.06;;-2.21;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM392028;MM392028;NC(C=O)=NOCC(=O)O;GGCCKDHSNJWACY-UHFFFAOYSA-N;146.1;-1.44;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_P1";;;;;;;-1.06;;-7.84;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM392029;MM392029;NN=C(NN)C(F)CF;YOYYUUURTCENRP-UHFFFAOYSA-N;138.12;-0.97;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_Na";;;;;;;-0.24;;-3.24;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM392030;MM392030;C=C(C)C(C=O)=C(F)CC;AFKZUSJMEGZFIH-UHFFFAOYSA-N;142.17;2.4;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_C4";;;;;;;2.97;;0.45;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM392031;MM392031;Nc1oc(=NO)n(O)c1N;FJEAYXBVOVWISG-UHFFFAOYSA-N;146.11;-1.23;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP1_SP2";;;;;;;-1.06;;-3.82;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM392032;MM392032;CCC(F)=C(C=O)C(C)=O;GDKUTZRESCXCQU-UHFFFAOYSA-N;144.15;1.41;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_Na";;;;;;;1.64;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM392033;MM392033;C=CC(=NN)C(F)C=C;UNFOCWSVYHSLQO-UHFFFAOYSA-N;128.15;1.01;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nd_Na";;;;;;;0.87;;-1.88;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM392034;MM392034;CC(=O)C(C=O)=C(F)CO;YSQGCYWSQZDACN-UHFFFAOYSA-N;146.12;-0.01;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_P1";;;;;;;0.04;;-2.54;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM392035;MM392035;C#CC(=O)C1NC1C=C;FDTJYFGZLKLWRR-UHFFFAOYSA-N;121.14;-0.28;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP1_P1";;;;;;;-0.79;;-3.13;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM392036;MM392036;CC(=O)C(C=O)=C(F)CF;SBTHSSWKQIVIPR-UHFFFAOYSA-N;148.11;0.97;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_Na";;;;;;;0.87;;-2.22;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM392037;MM392037;CN=c1oc(N)c(O)n1O;BIBYWAHWWWBEEU-UHFFFAOYSA-N;145.12;-0.86;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP1_SP2";;;;;;;-1.06;;-3.82;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM392038;MM392038;C=CC(C(=N)N)=C(F)CC;KSYJLUXCPDKEOJ-UHFFFAOYSA-N;142.18;1.74;;;;;DOPC;MDCG;27;1;"MARTINI bead: C1_P3";;;;;;;0.94;;-2.73;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM392039;MM392039;NN=c1oc(N)c(O)n1O;WLXBXUWYFPACHA-UHFFFAOYSA-N;146.11;-1.62;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP1_SP2";;;;;;;-1.06;;-3.82;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM392040;MM392040;CCC(F)=C(C#N)C(N)=O;MRVIZLPAYVMUNF-UHFFFAOYSA-N;142.13;0.63;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_P1";;;;;;;0.81;;-0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM392041;MM392041;O=C(O)C(=O)CC=CF;RPUWWXLMMUQMMP-UHFFFAOYSA-N;132.09;0.51;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_C5";;;;;;;0.81;;-4.95;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM392042;MM392042;C=C(C)C(C=O)=C(C)NC;HDPJRAHOOSDLRY-UHFFFAOYSA-N;139.2;1.25;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_C4";;;;;;;1.09;;-0.38;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM392043;MM392043;CCC(C#CC(=O)O)C=O;LBUKBDYPOAVJKV-UHFFFAOYSA-N;140.14;0.3;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_P1";;;;;;;0.81;;-4.95;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM392044;MM392044;CNC(C)=C(C=O)C(C)=O;DYJVKBPZALWPFS-UHFFFAOYSA-N;141.17;0.27;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_C5";;;;;;;0.54;;-1.09;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM392045;MM392045;O=c1[nH]nc(O)n1O;YLISVVKTUVAGCN-UHFFFAOYSA-N;117.06;-1.49;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP2_SP4";;;;;;;-2.29;;-9.56;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM392046;MM392046;CNC(C)=C(C#N)C(N)=O;KPXMMOQQKLGELJ-UHFFFAOYSA-N;139.16;-0.51;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_Nda";;;;;;;-0.24;;-3.31;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM392047;MM392047;Cn1[nH]c(C=O)cc1=O;STDWOWWTAXKOPZ-UHFFFAOYSA-N;126.12;-0.47;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP3_SP1";;;;;;;-1.93;;-8.81;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM392048;MM392048;C=CC(C(=N)N)=C(N)NC;FOADFISXYYMCFE-UHFFFAOYSA-N;140.19;-0.5;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_P3";;;;;;;-1.1;;-7.79;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM392049;MM392049;CC(O)CC(F)(F)C(=O)O;IONDISAPPXQFAH-UHFFFAOYSA-N;154.11;0.48;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_N0";;;;;;;0.34;;-6.01;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM392050;MM392050;CNC(N)=C(C=O)C(=N)N;XKMYOILCQOHBGS-UHFFFAOYSA-N;142.16;-1.49;;;;;DOPC;MDCG;27;1;"MARTINI bead: P2_P3";;;;;;;-2.2;;-7.27;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM392051;MM392051;CNc1noc(F)c1O;XBUFBXAXPADJKJ-UHFFFAOYSA-N;132.09;0.56;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNda_SNda";;;;;;;0.87;;-6.57;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM392052;MM392052;COCOC(=NN)N(C)N;BKRUREWFKAFQQA-UHFFFAOYSA-N;148.17;-1.36;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_P2";;;;;;;-1.34;;-4.31;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM392053;MM392053;NN=c1c(N)con1N;SXKFYHYOMFBZTK-UHFFFAOYSA-N;129.12;-1.85;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP1_SP2";;;;;;;-1.06;;-3.82;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM392054;MM392054;C=CN(O)C(=N)C(=O)O;RTNVRYQNQDIVME-UHFFFAOYSA-N;130.1;-0.12;;;;;DOPC;MDCG;27;0;"MARTINI bead: N0_P3";;;;;;;-0.8;;-6.84;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM392055;MM392055;Cc1oc(=NN)n(O)c1F;OPEUOVMGFXTRNB-UHFFFAOYSA-N;147.11;-0.46;;;;;DOPC;MDCG;27;0;"MARTINI bead: SN0_SP1";;;;;;;0.34;;-1.53;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM392056;MM392056;C=C(F)C(C#N)=C(N)NC;XWLSNEIWZZUIHJ-UHFFFAOYSA-N;141.15;0.38;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_C5";;;;;;;0.81;;-0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM392057;MM392057;NN=C(N)C(=O)N1CC1;KKIFBEIDEZWVBL-UHFFFAOYSA-N;128.14;-1.94;;;;;DOPC;MDCG;27;0;"MARTINI bead: P3_SP2";;;;;;;-2.2;;-5.19;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM392058;MM392058;C=C(C)C(C=O)=C(C)C#N;AMHQQHNRPXMDFL-UHFFFAOYSA-N;135.17;1.6;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4_P2";;;;;;;1.09;;-0.38;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM392059;MM392059;NN=c1oc(N)c(F)n1O;SZJMZNLEBRTODU-UHFFFAOYSA-N;148.1;-1.19;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP1_SP1";;;;;;;-0.79;;-3.13;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM392060;MM392060;C=CC(C(C)=O)=C(C)C=O;JRDFAWYSFBLZLH-UHFFFAOYSA-N;138.17;1.28;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4_P2";;;;;;;1.09;;-0.38;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM392061;MM392061;CCN=CNC(=O)C(=O)O;JAIDXFKQMPXVHU-UHFFFAOYSA-N;144.13;-0.76;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_P3";;;;;;;-0.33;;-6.03;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM392062;MM392062;C=CC(C)=C(C#N)C(C)=O;DHGVWPIUGRHFIH-UHFFFAOYSA-N;135.17;1.6;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_N0";;;;;;;1.17;;-1.18;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM392063;MM392063;NN=c1[nH]c(=NO)nco1;ZGLMERPFWVGJSV-UHFFFAOYSA-N;143.11;-1.93;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP3_SP3";;;;;;;-3.07;;-10.09;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM392064;MM392064;C=CC(C(=N)N)=C(C)C=O;ZZOMUIQPZJXWBT-UHFFFAOYSA-N;138.17;0.62;;;;;DOPC;MDCG;27;1;"MARTINI bead: P2_Nd";;;;;;;-0.24;;-6.86;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM392065;MM392065;C=NOC(CO)C(=O)O;UMANDNOCMBUEMP-UHFFFAOYSA-N;133.1;-0.94;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_P1";;;;;;;-1.06;;-8.22;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM392066;MM392066;CC(C#N)=C(C#N)C(N)=O;RRYYKPAHMHGLHV-UHFFFAOYSA-N;135.13;-0.16;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_Nda";;;;;;;-0.24;;-3.31;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM392067;MM392067;CN=c1oc(F)c(F)n1O;TZNMGZPLXLUPFG-UHFFFAOYSA-N;150.08;0.13;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNa_SNda";;;;;;;0.87;;-1.99;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM392068;MM392068;C=C(C)C(C=O)=C(N)C=O;ALWHKTZATWTYCN-UHFFFAOYSA-N;139.15;0.17;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda_P2";;;;;;;-0.24;;-3.31;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM392069;MM392069;NN=c1oc(F)c(F)n1O;BZKNOAACTLDANZ-UHFFFAOYSA-N;151.07;-0.63;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNa_SP1";;;;;;;0.04;;-2.54;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM392070;MM392070;C=CC(N)=C(C=C)C(C)=O;LNWBSEIVPIEEGB-UHFFFAOYSA-N;137.18;1.16;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda_N0";;;;;;;1.17;;-1.13;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM392071;MM392071;CCOC(C(=O)O)=C(C)N;PEJYIKWMZXCVFE-UHFFFAOYSA-N;145.16;0.3;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda_P1";;;;;;;0.04;;-7.19;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM392072;MM392072;CC(=O)C(C#N)=C(N)C#N;QTSFAARDAKRYGB-UHFFFAOYSA-N;135.13;-0.16;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_P1";;;;;;;0.04;;-2.54;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM392073;MM392073;C=c1c(C)c(C)oc1=CC;FQJABHMXOZSHOO-UHFFFAOYSA-N;136.19;1.11;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC5_SC5";;;;;;;2.41;;0.64;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM392074;MM392074;C=CC(N)=C(C#N)C(=N)N;KJPONJTXJKAMAV-UHFFFAOYSA-N;136.16;-0.16;;;;;DOPC;MDCG;27;1;"MARTINI bead: P3_N0";;;;;;;-0.8;;-4.29;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM392075;MM392075;C=c1c(C)c(C)oc1=CF;FUTQHGPBKDTATL-UHFFFAOYSA-N;140.16;1.01;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC5_SNa";;;;;;;1.64;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM392076;MM392076;Cc1c(N)oc(=NN)n1C;RZUWKXJZGKEEGQ-UHFFFAOYSA-N;142.16;-0.72;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP1_SP1";;;;;;;-0.79;;-3.13;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM392077;MM392077;C=c1c(F)c(C)oc1=CC;PQHJPGGKHYUWNZ-UHFFFAOYSA-N;140.16;0.94;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC5_SC5";;;;;;;2.41;;0.64;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM392078;MM392078;Nc1cc(O)on1;IRMKCBJLJJEEIM-UHFFFAOYSA-N;100.08;-0.04;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNda_SNda";;;;;;;0.87;;-6.14;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM392079;MM392079;C=c1c(F)c(C)oc1=CF;DAMLHSXBYSIDMS-UHFFFAOYSA-N;144.12;0.84;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC5_SNa";;;;;;;1.64;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM392080;MM392080;C=C(F)C(C#N)=C(N)C#N;ONTXIELOSYYWDE-UHFFFAOYSA-N;137.12;0.73;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_C5";;;;;;;0.81;;-0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM392081;MM392081;CC1=C(C)C(C)C(CN)=C1;SCDJYDKOOUIOCR-UHFFFAOYSA-N;137.23;1.86;;;;;DOPC;MDCG;27;1;"MARTINI bead: SC3_SNd";;;;;;;2.57;;-0.94;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM392082;MM392082;C=C(C)C(C=O)=C(F)C=O;RYYKKOIHGCEBRS-UHFFFAOYSA-N;142.13;1.18;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_P2";;;;;;;0.54;;-1.09;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM392083;MM392083;CCC1=CC(C)=C(F)C1C;QSGBCSHMOAISRE-UHFFFAOYSA-N;140.2;3.22;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC3_SC4";;;;;;;3.9;;0.47;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM392084;MM392084;C=CC(C(C)=O)=C(F)C=O;PSHNKRMMTDWSOL-UHFFFAOYSA-N;142.13;1.18;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_N0";;;;;;;1.17;;-1.18;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM392085;MM392085;CC1=C(F)C(C)C(CN)=C1;SOESLGZGMKRTFC-UHFFFAOYSA-N;141.19;1.76;;;;;DOPC;MDCG;27;1;"MARTINI bead: SNd_SC4";;;;;;;2.2;;-1.64;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM392086;MM392086;C=CC(F)=C(C=O)C(C)=O;KENWBTIXRBGUQS-UHFFFAOYSA-N;142.13;1.18;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_N0";;;;;;;1.17;;-1.18;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM392087;MM392087;C=CC12C=C(C)C(O)(C1)C2;VKWYYXSPLNDLNG-UHFFFAOYSA-N;136.19;1.64;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC3_SNda";;;;;;;2.57;;0.44;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM392088;MM392088;CC(=O)C(C#N)=C(F)C=O;OGQBNQJDFSACNW-UHFFFAOYSA-N;141.1;0.52;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_Na";;;;;;;0.87;;-2.22;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM392089;MM392089;COc1cc(O)c(N)n1C;FHXDDXCYMUHCAU-UHFFFAOYSA-N;142.16;0.32;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNa_SNda";;;;;;;0.87;;-1.99;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM392090;MM392090;C=CC(F)=C(C#N)C(N)=O;TXJAGMHURDWBBN-UHFFFAOYSA-N;140.12;0.4;;;;;DOPC;MDCG;27;0;"MARTINI bead: P3_C4";;;;;;;0.23;;-1.03;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM392091;MM392091;COc1cc(F)c(O)n1C;ZDUJXZOGCPELHE-UHFFFAOYSA-N;145.13;0.88;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNa_SNda";;;;;;;0.87;;-1.99;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM392092;MM392092;C#CC(C)=C(C=O)C(C)=O;DAPGRFVLSRWSQK-UHFFFAOYSA-N;136.15;0.72;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_Na";;;;;;;0.87;;-2.22;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM392093;MM392093;COc1nc(C)c(O)n1C;XQJCHWYUMXIUPK-UHFFFAOYSA-N;142.16;0.44;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNa_SP1";;;;;;;0.04;;-2.54;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM392094;MM392094;C#CC(C)=C(C#N)C(=O)O;IBDAKUOGHKUJGL-UHFFFAOYSA-N;135.12;0.54;;;;;DOPC;MDCG;27;-1;"MARTINI bead: C5_P1";;;;;;;0.81;;-5.66;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM392095;MM392095;COc1nc(O)c(O)n1C;JPUZKDOHEOFIDZ-UHFFFAOYSA-N;144.13;-0.16;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNa_SP2";;;;;;;-0.24;;-3.24;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM392096;MM392096;C#CC(N)=C(C=C)C(C)=O;RQFOOIPOYIOPNX-UHFFFAOYSA-N;135.17;0.61;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_Nd";;;;;;;0.87;;-1.88;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM392097;MM392097;C=CC1=CC(C)=C(C)C1C;RSUNSMGTJXVZDG-UHFFFAOYSA-N;134.22;3.08;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC3_SC4";;;;;;;3.9;;0.47;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM392098;MM392098;C#CC(N)=C(C=O)C(=N)N;HFNOAJQVXHOWFS-UHFFFAOYSA-N;137.14;-1.03;;;;;DOPC;MDCG;27;1;"MARTINI bead: P3_Nda";;;;;;;-1.1;;-5.76;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM392099;MM392099;CC1=C(C)C(C)C(C#N)=C1;UVBAHIHYANQRDJ-UHFFFAOYSA-N;133.19;2.42;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC3_SN0";;;;;;;2.87;;0.37;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM392100;MM392100;C#CC(N)=C(C=O)C(N)=O;VFPSOEOSPPUDLR-UHFFFAOYSA-N;138.13;-1.48;;;;;DOPC;MDCG;27;0;"MARTINI bead: P3_Nda";;;;;;;-1.1;;-3.97;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM392101;MM392101;C=CC1=CC(C)=C(F)C1C;GYVAJHTYMJVNEH-UHFFFAOYSA-N;138.19;2.99;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC4_SC4";;;;;;;3.53;;0.53;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM392102;MM392102;C#CC(F)=C(C#N)C(=O)O;ANQBILOSSCZNLZ-UHFFFAOYSA-N;139.09;0.45;;;;;DOPC;MDCG;27;-1;"MARTINI bead: P1_C5";;;;;;;0.81;;-6.04;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM392103;MM392103;CC1=C(F)C(C)C(C=O)=C1;MXECIKNRGATTEH-UHFFFAOYSA-N;140.16;2;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC4_SNa";;;;;;;2.2;;0.34;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM392104;MM392104;C#CC(C(C)=O)=C(C)CF;AJDAJFXYGLOJAN-UHFFFAOYSA-N;140.16;1.49;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_Na";;;;;;;1.64;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM392105;MM392105;CC1=C(F)C(C)C(C#N)=C1;WKCFKZMPTLYNJY-UHFFFAOYSA-N;137.16;2.33;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC4_SN0";;;;;;;2.5;;0.44;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM392106;MM392106;C#CC(C(=N)N)=C(C)CN;UMVCBDBGOHCGCJ-UHFFFAOYSA-N;137.19;-0.17;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_P3";;;;;;;-1.1;;-7.22;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM392107;MM392107;C=CC1=CC(C)=C(C)C1N;ZCRFHNNJPZJXQN-UHFFFAOYSA-N;135.21;1.78;;;;;DOPC;MDCG;27;1;"MARTINI bead: SNd_SC4";;;;;;;2.2;;-1.34;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM392108;MM392108;C#CC(C(N)=O)=C(C)CN;CTSGKAOYHKPRCL-UHFFFAOYSA-N;138.17;-0.62;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_P3";;;;;;;-1.1;;-5.93;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM392109;MM392109;Cc1c(F)cc(C=O)n1C;AOKWXQPPTUFKAO-UHFFFAOYSA-N;141.15;1.29;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNa_SNa";;;;;;;0.87;;-2.22;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM392110;MM392110;C#CC(C(=O)O)=C(C)CF;KQESSHNCSMSEKL-UHFFFAOYSA-N;142.13;0.99;;;;;DOPC;MDCG;27;-1;"MARTINI bead: Na_Nda";;;;;;;0.87;;-5.74;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM392111;MM392111;C=Cc1cc(F)c(C)n1N;RAZZFCAFIVJZIK-UHFFFAOYSA-N;140.16;1.29;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNa_SNd";;;;;;;0.87;;-1.88;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM392112;MM392112;C#CC(C(=N)N)=C(N)CN;VUBYGDINDBNJEJ-UHFFFAOYSA-N;138.17;-1.27;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1_P3";;;;;;;-1.93;;-7.82;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM392113;MM392113;Cc1c(F)nc(C=O)n1C;MYGSVUUEHXGARO-UHFFFAOYSA-N;142.13;0.68;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNa_SP1";;;;;;;0.04;;-2.54;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM392114;MM392114;C#CC(C(=N)N)=C(N)CO;KRNXDMOUQWAQKM-UHFFFAOYSA-N;139.16;-1.24;;;;;DOPC;MDCG;27;1;"MARTINI bead: P3_P2";;;;;;;-2.2;;-8.22;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM392115;MM392115;C#CC1=CC(C)=C(C)C1C;DRDYZHACRPCGPS-UHFFFAOYSA-N;132.21;2.53;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC3_SC5";;;;;;;3.34;;0.48;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM392116;MM392116;C#CC(C(=N)N)=C(N)CF;XKSQCTWMFABEJQ-UHFFFAOYSA-N;141.15;-0.26;;;;;DOPC;MDCG;27;1;"MARTINI bead: P3_Nda";;;;;;;-1.1;;-6.96;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM392117;MM392117;C#CC1=CC(C)=C(F)C1C;QPOSYRQZYIFAST-UHFFFAOYSA-N;136.17;2.44;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC4_SC5";;;;;;;2.97;;0.45;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM392118;MM392118;C#CC(C(N)=O)=C(N)CN;UJBPITSVGQECFZ-UHFFFAOYSA-N;139.16;-1.72;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1_P3";;;;;;;-1.93;;-5.85;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM392119;MM392119;C#CC1=CC(C)=C(C)C1N;BQYHVXYTQMJACT-UHFFFAOYSA-N;133.19;1.22;;;;;DOPC;MDCG;27;1;"MARTINI bead: SC3_SNd";;;;;;;2.57;;-0.26;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM392120;MM392120;C#CC(C(N)=O)=C(N)CO;BNGYQUXEPJOOCP-UHFFFAOYSA-N;140.14;-1.69;;;;;DOPC;MDCG;27;0;"MARTINI bead: P3_P2";;;;;;;-2.2;;-5.19;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM392121;MM392121;C#Cc1cc(F)c(C)n1N;ICKPYXNHSBGGGP-UHFFFAOYSA-N;138.15;0.63;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNa_SNd";;;;;;;0.87;;-1.88;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM392122;MM392122;C#CC(C(N)=O)=C(N)CF;ZBKDLPPRFKMNJR-UHFFFAOYSA-N;142.13;-0.71;;;;;DOPC;MDCG;27;0;"MARTINI bead: P3_Nda";;;;;;;-1.1;;-3.97;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM392123;MM392123;C=C1C(CC)=CC(C)=C1C;IYEFGPWMFWVWFE-UHFFFAOYSA-N;134.22;3.23;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC3_SC3";;;;;;;4.27;;0.2;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM392124;MM392124;N=Cn1nc(O)c(F)n1;GYPQJAOSKXIUBT-UHFFFAOYSA-N;130.08;-0.42;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP2_SNda";;;;;;;-0.24;;-7.33;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM392125;MM392125;C=C1C(CC)=CC(C)=C1F;CFIMWFGSTLUXAO-UHFFFAOYSA-N;138.19;3.14;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC3_SC4";;;;;;;3.9;;0.47;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM392126;MM392126;C#CC(C(=N)N)=C(F)CC;JGPRVIAEPLXQHQ-UHFFFAOYSA-N;140.16;1.19;;;;;DOPC;MDCG;27;1;"MARTINI bead: C3_P3";;;;;;;0.6;;-2.74;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM392127;MM392127;C=CC1=CC(C)=C(C)C1=C;GDQOJOJGIGOLED-UHFFFAOYSA-N;132.21;3.01;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC3_SC4";;;;;;;3.9;;0.47;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM392128;MM392128;C#CC(C(=N)N)=C(F)CN;MOPOOGOJNLRJNO-UHFFFAOYSA-N;141.15;-0.26;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nda_P3";;;;;;;-1.1;;-5.85;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM392129;MM392129;C=C1C(C#N)=CC(C)=C1C;KLYVSTJFWDQXMV-UHFFFAOYSA-N;131.18;2.34;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC3_SC5";;;;;;;3.34;;0.48;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM392130;MM392130;C#CC(C(=N)N)=C(F)CO;DOECDRSVANFKRC-UHFFFAOYSA-N;142.13;-0.23;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1_P2";;;;;;;-1.06;;-5.62;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM392131;MM392131;C=CC1=CC(C)=C(F)C1=C;BVJYFZRHEHKMHY-UHFFFAOYSA-N;136.17;2.91;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC4_SC4";;;;;;;3.53;;0.53;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM392132;MM392132;C#CC(C(N)=O)=C(F)CC;HOPJHKSGDJMWGV-UHFFFAOYSA-N;141.15;0.74;;;;;DOPC;MDCG;27;0;"MARTINI bead: C3_P3";;;;;;;0.6;;-0.8;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM392133;MM392133;C=C1C(C#N)=CC(C)=C1F;NPIVQVNLFRRCBV-UHFFFAOYSA-N;135.14;2.25;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC4_SN0";;;;;;;2.5;;0.44;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM392134;MM392134;Cc1c(F)oc(=NN)n1C;AIEPPWUKXCBQLJ-UHFFFAOYSA-N;145.14;-0.16;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNa_SP1";;;;;;;0.04;;-2.54;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM392135;MM392135;C#CC1=CC(C)=C(C)C1=C;QUQFQBCSAZPHFG-UHFFFAOYSA-N;130.19;2.45;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC3_SC5";;;;;;;3.34;;0.48;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM392136;MM392136;C#CC(C(=N)N)=C(N)NC;UAIKYZSSCADPBF-UHFFFAOYSA-N;138.17;-1.05;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_P3";;;;;;;-1.1;;-7;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM392137;MM392137;C#CC1=CC(C)=C(F)C1=C;NWKMGMRWMFFNCM-UHFFFAOYSA-N;134.15;2.36;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC4_SC5";;;;;;;2.97;;0.45;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM392138;MM392138;C#CC(C(N)=O)=C(N)NC;RHOOPRGWROEGRL-UHFFFAOYSA-N;139.16;-1.51;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nd_P3";;;;;;;-1.1;;-3.93;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM392139;MM392139;C=C(C)OC=NNCCF;WYUZRBPSTQDRSS-UHFFFAOYSA-N;146.17;1.04;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_P2";;;;;;;0.54;;-1.09;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM392140;MM392140;C#CC(C(=N)N)=C(N)OC;LCYSEKSOHCONJR-UHFFFAOYSA-N;139.16;-0.63;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nda_P3";;;;;;;-1.1;;-6.33;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM392141;MM392141;C#CC1C=CC(=O)N1N;XROODUHXYMFBGV-UHFFFAOYSA-N;122.13;-0.74;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP1_SP2";;;;;;;-1.06;;-8.22;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM392142;MM392142;C#CC(C(=N)N)=C(C)C=C;OGURYEAICHEEKO-UHFFFAOYSA-N;134.18;1.06;;;;;DOPC;MDCG;27;1;"MARTINI bead: C3_P3";;;;;;;0.6;;-3.96;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM392143;MM392143;C=CC1(C)NC1C(=O)O;OEZRLKFMYUNVKB-UHFFFAOYSA-N;127.14;-0.01;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP1_P1";;;;;;;-0.79;;-7.62;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM392144;MM392144;C#CC(C(=N)N)=C(C)C=O;WKOSERNWIWNWNX-UHFFFAOYSA-N;136.15;0.07;;;;;DOPC;MDCG;27;1;"MARTINI bead: P2_Nd";;;;;;;-0.24;;-5.92;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM392145;MM392145;Cc1c(N)c(N)nn1C=N;YMFOAZDGMWDLHN-UHFFFAOYSA-N;139.16;-0.19;;;;;DOPC;MDCG;27;1;"MARTINI bead: SP2_SP1";;;;;;;-1.06;;-5.63;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM392146;MM392146;Cn1c(N)c(F)oc1=NN;WQIONLJPJJNMEQ-UHFFFAOYSA-N;146.13;-0.89;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP2_SNa";;;;;;;-0.24;;-3.24;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM392147;MM392147;NN=c1nn[nH]c(=O)nn1;AIKBPUIXQVCXEY-UHFFFAOYSA-N;141.09;-3.27;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP4_SP4";;;;;;;-3.24;;-11.02;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM392148;MM392148;C#CC(C(=O)O)=C(C)C#N;BYFAOPPDZMQDKJ-UHFFFAOYSA-N;135.12;0.54;;;;;DOPC;MDCG;27;-1;"MARTINI bead: C5_P1";;;;;;;0.81;;-6.19;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM392149;MM392149;CC=CCC1C(O)C1(C)C;VIDIZMNCUHJSGN-UHFFFAOYSA-N;140.23;1.97;;;;;DOPC;MDCG;27;0;"MARTINI bead: C2_SNda";;;;;;;2.83;;0.57;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM392150;MM392150;C#CC(C(=N)N)=C(N)C=C;SNBAHKWJSCACPA-UHFFFAOYSA-N;135.17;-0.05;;;;;DOPC;MDCG;27;1;"MARTINI bead: P3_N0";;;;;;;-0.8;;-6.07;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM392151;MM392151;N=Cn1nc(N)c(N)c1N;QSZDRICUGZQUBF-UHFFFAOYSA-N;140.15;-0.92;;;;;DOPC;MDCG;27;1;"MARTINI bead: SP2_SP2";;;;;;;-1.34;;-5.55;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM392152;MM392152;C#CC(C(=N)N)=C(N)C=O;PVTBETMWMUNTHH-UHFFFAOYSA-N;137.14;-1.03;;;;;DOPC;MDCG;27;1;"MARTINI bead: P3_Nda";;;;;;;-1.1;;-6.6;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM392153;MM392153;CC=C1CC(C)C(C)=C1C;HJTGKUXHGHYGRU-UHFFFAOYSA-N;136.24;3.31;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC3_SC1";;;;;;;4.61;;0.31;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM392154;MM392154;C#CC(C(=N)N)=C(N)C#N;QRTQLUDDPKYCQY-UHFFFAOYSA-N;134.14;-0.71;;;;;DOPC;MDCG;27;1;"MARTINI bead: P3_Nd";;;;;;;-1.1;;-6.37;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM392155;MM392155;CC=C1CC(C)C(F)=C1C;KQHQNHOKQHUHAP-UHFFFAOYSA-N;140.2;3.22;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC3_SC4";;;;;;;3.9;;0.47;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM392156;MM392156;C#CC(C(N)=O)=C(N)C=O;AVYUOQGATGUFCS-UHFFFAOYSA-N;138.13;-1.48;;;;;DOPC;MDCG;27;0;"MARTINI bead: P3_Nda";;;;;;;-1.1;;-3.97;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM392157;MM392157;CC(=NNCCF)OC=O;XZYKFKYILQBPAX-UHFFFAOYSA-N;148.14;0.05;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_Nda";;;;;;;0.04;;-2.73;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM392158;MM392158;CN=c1[nH]nc(F)c(=O)o1;JTLTVIGDOCGOFP-UHFFFAOYSA-N;145.09;-0.97;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP2_SP2";;;;;;;-1.34;;-8.33;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM392159;MM392159;Cc1c(C)n(C)oc1=NO;KEOZYRROUQBZNY-UHFFFAOYSA-N;142.16;0.52;;;;;DOPC;MDCG;27;0;"MARTINI bead: SN0_SP2";;;;;;;0.06;;-2.21;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM392160;MM392160;C#CC(C(=N)N)=C(F)C=C;ZUGPKIMQXJBEJV-UHFFFAOYSA-N;138.15;0.97;;;;;DOPC;MDCG;27;1;"MARTINI bead: P3_C3";;;;;;;0.6;;-2.76;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM392161;MM392161;Cc1nn(C=NN)oc1=O;MOMWGVGBOAPXGS-UHFFFAOYSA-N;142.12;-1.11;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP1_SP3";;;;;;;-1.93;;-4.72;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM392162;MM392162;C#CC(C(=N)N)=C(F)C=O;WOIDOKMXQJSNGU-UHFFFAOYSA-N;140.12;-0.02;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nda_P2";;;;;;;-0.24;;-4.77;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM392163;MM392163;Cc1c(C)n(N)oc1=NO;LEBKZYVYNGPQOG-UHFFFAOYSA-N;143.15;-0.3;;;;;DOPC;MDCG;27;0;"MARTINI bead: SN0_SP2";;;;;;;0.06;;-2.21;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM392164;MM392164;C#CC(C(N)=O)=C(F)C=O;XDEUECRABJSDAH-UHFFFAOYSA-N;141.1;-0.47;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda_P2";;;;;;;-0.24;;-3.31;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM392165;MM392165;Nc1nc(=O)on(N)c1=O;BRNOOYZIWIMRJL-UHFFFAOYSA-N;144.09;-2.51;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP3_SP2";;;;;;;-2.2;;-5.19;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM392166;MM392166;Cc1c(C)n(O)oc1=NO;XCPNBVZEHBTWFQ-UHFFFAOYSA-N;144.13;0.23;;;;;DOPC;MDCG;27;0;"MARTINI bead: SN0_SP2";;;;;;;0.06;;-2.21;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM392167;MM392167;C#CC(F)=C(C#C)C(=N)N;XCENIXFGUZQSDU-UHFFFAOYSA-N;136.13;0.41;;;;;DOPC;MDCG;27;1;"MARTINI bead: P3_C4";;;;;;;0.23;;-2.64;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM392168;MM392168;CNN=c1on(N)cc1F;RZKRCPJJVARFJC-UHFFFAOYSA-N;146.13;-1.03;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP2_SNa";;;;;;;-0.24;;-3.24;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM392169;MM392169;C#CC(F)=C(C#C)C(=O)O;XFLJNWAMZGTWJA-UHFFFAOYSA-N;138.1;0.56;;;;;DOPC;MDCG;27;-1;"MARTINI bead: P1_C4";;;;;;;1.37;;-4.72;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM392170;MM392170;Cc1c(N)n(C)oc1=NO;AAWLOKZQLCUZCX-UHFFFAOYSA-N;143.15;-0.2;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNd_SP2";;;;;;;-0.24;;-3.16;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM392171;MM392171;CC(C)C(CN)CCCN;NRJLIPBDNTZBKD-UHFFFAOYSA-N;144.26;0.96;;;;;DOPC;MDCG;27;1;"MARTINI bead: C5_P1";;;;;;;0.81;;-3.57;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM392172;MM392172;C#CCCC(C)(CC)CO;YTBQGEBINITDSV-UHFFFAOYSA-N;140.23;1.81;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_C5";;;;;;;2.41;;0.64;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM392173;MM392173;CC(C)C(CN)CCCF;PUFSYBSXRUGJAN-UHFFFAOYSA-N;147.24;1.97;;;;;DOPC;MDCG;27;1;"MARTINI bead: C5_C5";;;;;;;2.41;;-0.49;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM392174;MM392174;Cc1c(N)n(N)oc1=NO;WVBQATHZSZXYMJ-UHFFFAOYSA-N;144.13;-1.02;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNd_SP2";;;;;;;-0.24;;-3.16;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM392175;MM392175;Cc1oc(=NN)n(C)c1F;GVXAWVXOEPUEQJ-UHFFFAOYSA-N;145.14;-0.16;;;;;DOPC;MDCG;27;0;"MARTINI bead: SN0_SP1";;;;;;;0.34;;-1.53;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM392176;MM392176;CCC(C)=NN=C(C)NN;DIKSVIDAJURCFO-UHFFFAOYSA-N;142.21;0.65;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_P2";;;;;;;0.54;;-1.09;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM392177;MM392177;CC(C)C(CF)CCCN;GJAMGOWYOVWCQI-UHFFFAOYSA-N;147.24;1.97;;;;;DOPC;MDCG;27;1;"MARTINI bead: C2_Nd";;;;;;;2.83;;-0.75;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM392178;MM392178;Cc1c(N)n(O)oc1=NO;KQBKTTXERUWJLP-UHFFFAOYSA-N;145.12;-0.5;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNd_SP2";;;;;;;-0.24;;-3.16;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM392179;MM392179;CC(C)C(CF)CCCO;SHUINTLGKVPITJ-UHFFFAOYSA-N;148.22;2;;;;;DOPC;MDCG;27;0;"MARTINI bead: C2_Nda";;;;;;;2.83;;0.57;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM392180;MM392180;CC(C)(C#CC(=O)O)C=O;AASWNWQYNKEIMJ-UHFFFAOYSA-N;140.14;0.3;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_P1";;;;;;;0.81;;-4.95;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM392181;MM392181;CC(C)C(CF)CCCF;SBVBTPLHHUSKCS-UHFFFAOYSA-N;150.21;2.98;;;;;DOPC;MDCG;27;0;"MARTINI bead: C2_C4";;;;;;;4.16;;0.44;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM392182;MM392182;C=CC(C=O)C=NN(C)C;QHLNKVZTGXSKLX-UHFFFAOYSA-N;140.19;0.53;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_Na";;;;;;;0.04;;-2.54;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM392183;MM392183;CCC(CCCF)C(C)N;KLMBLSDLSVRYKG-UHFFFAOYSA-N;147.24;2.11;;;;;DOPC;MDCG;27;1;"MARTINI bead: C5_C4";;;;;;;2.97;;-0.29;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM392184;MM392184;O=CC1CC(C=O)(C=O)N1;WBNWABOOLQTFDG-UHFFFAOYSA-N;141.13;-1.32;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP2_SP2";;;;;;;-1.34;;-4.31;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM392185;MM392185;CC(N)C(CN)CCCO;MVUPCCDTQDYNFN-UHFFFAOYSA-N;146.23;-0.32;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1_P1";;;;;;;-0.79;;-6.03;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM392186;MM392186;C=CC1(CO)C=C(C)CC1;ULDIMYYBOGKYLG-UHFFFAOYSA-N;138.21;1.89;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC4_SC5";;;;;;;2.97;;0.45;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM392187;MM392187;CCCCC(CF)C(C)N;NNMNAMPTZHNFHU-UHFFFAOYSA-N;147.24;2.11;;;;;DOPC;MDCG;27;1;"MARTINI bead: C1_Nda";;;;;;;2.91;;-0.8;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM392188;MM392188;CCC1(CO)C=CC(C)=C1;KIRWNAHYRMUQKE-UHFFFAOYSA-N;138.21;1.89;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC5_SC5";;;;;;;2.41;;0.64;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM392189;MM392189;CC(N)C(CF)CCCF;MHXNVDWNRHJQSN-UHFFFAOYSA-N;151.2;1.67;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nda_Na";;;;;;;0.87;;-4.96;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM392190;MM392190;Cc1c(N)c(=NO)on1C;GEUFYIQXUSDTAU-UHFFFAOYSA-N;143.15;-0.2;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNd_SP2";;;;;;;-0.24;;-3.16;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM392191;MM392191;CCC(CCCN)C(C)O;JBRHBXTWBAAOEP-UHFFFAOYSA-N;145.25;1.13;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_C5";;;;;;;1.64;;-2.7;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM392192;MM392192;C=CC(=O)CC1(C#N)CN1;OXGNZUNHOJCQSZ-UHFFFAOYSA-N;136.15;;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_SP2";;;;;;;-0.24;;-3.24;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM392193;MM392193;Cn1c(F)c(F)oc1=NN;KXYRIKNBRGYNEY-UHFFFAOYSA-N;149.1;-0.33;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNa_SP1";;;;;;;0.04;;-2.54;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM392194;MM392194;Cc1c(N)c(=NO)on1N;RHNGFQGRIBDUGX-UHFFFAOYSA-N;144.13;-1.02;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNd_SP2";;;;;;;-0.24;;-3.16;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM392195;MM392195;CC(O)C(CN)CCCF;JXCSKKPHSUSHFA-UHFFFAOYSA-N;149.21;0.69;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1_Nda";;;;;;;0.04;;-5.15;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM392196;MM392196;C=NN(C)C(C)C(=O)C=O;JTNJQMMCILYVBS-UHFFFAOYSA-N;142.16;-0.31;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_Na";;;;;;;-0.24;;-3.24;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM392197;MM392197;CC(O)C(CF)CCCN;OUPTXBZOTSTKMK-UHFFFAOYSA-N;149.21;0.69;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nda_P1";;;;;;;0.04;;-5.51;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM392198;MM392198;Cc1c(N)c(=NO)on1O;LGYPHASOAMSONU-UHFFFAOYSA-N;145.12;-0.5;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNd_SP2";;;;;;;-0.24;;-3.16;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM392199;MM392199;CC(O)C(CF)CCCF;KREDXPIMSOJKLC-UHFFFAOYSA-N;152.18;1.7;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_C4";;;;;;;1.37;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM392200;MM392200;CCCCC(=O)C=NNC;DVOVEEUYIQOSBX-UHFFFAOYSA-N;142.2;0.95;;;;;DOPC;MDCG;27;0;"MARTINI bead: C3_P1";;;;;;;1.74;;0.29;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM392201;MM392201;CCC(CCCN)C(C)F;RFWAFBBWDLEYHR-UHFFFAOYSA-N;147.24;2.11;;;;;DOPC;MDCG;27;1;"MARTINI bead: C1_Nd";;;;;;;2.91;;-0.56;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM392202;MM392202;Cn1oc(=NO)c(N)c1N;MQWVTPDUJMYGOP-UHFFFAOYSA-N;144.13;-0.93;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP2_SP1";;;;;;;-1.06;;-3.82;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM392203;MM392203;CCC(CCCF)C(C)F;NNBZWCPZGUCSNJ-UHFFFAOYSA-N;150.21;3.12;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1_C4";;;;;;;4.24;;0.42;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM392204;MM392204;C#CC(F)CONC=NN;OFEFJDLPDHOJIN-UHFFFAOYSA-N;145.14;-0.62;;;;;DOPC;MDCG;27;0;"MARTINI bead: P4_C5";;;;;;;-0.41;;-2.77;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM392205;MM392205;CC(F)C(CN)CCCN;PCWXNTSPVDUMTG-UHFFFAOYSA-N;148.23;0.66;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nda_P1";;;;;;;0.04;;-5.76;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM392206;MM392206;Nc1c(N)n(N)oc1=NO;KSDROZNRSSPXCA-UHFFFAOYSA-N;145.12;-1.75;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP1_SP2";;;;;;;-1.06;;-3.82;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM392207;MM392207;CC(F)C(CF)CCCN;VDGQQLAPZSZUSD-UHFFFAOYSA-N;151.2;1.67;;;;;DOPC;MDCG;27;1;"MARTINI bead: C4_P1";;;;;;;1.37;;-2.73;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM392208;MM392208;C#CC(C)CNN=CC=O;PGYRTJDJPPWXMO-UHFFFAOYSA-N;138.17;0.03;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_P1";;;;;;;0.81;;-0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM392209;MM392209;CC(F)C(CF)CCCO;ILTNNIQRKVWVBQ-UHFFFAOYSA-N;152.18;1.7;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_Nda";;;;;;;1.64;;0.05;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM392210;MM392210;Nc1c(N)n(O)oc1=NO;KXSCUQRXDAFFBE-UHFFFAOYSA-N;146.11;-1.23;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP1_SP2";;;;;;;-1.06;;-3.82;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM392211;MM392211;CC(F)C(CF)CCCF;KEHQUHIEUCVFNX-UHFFFAOYSA-N;154.18;2.68;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_C4";;;;;;;2.97;;0.45;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM392212;MM392212;Cn1oc(=NN)c(N)c1O;OQYFZMZRGMRTGV-UHFFFAOYSA-N;144.13;-1.32;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP2_SP1";;;;;;;-1.06;;-3.82;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM392213;MM392213;NCC(CCCF)C(F)F;XCFKGMGSIHYDDM-UHFFFAOYSA-N;155.16;1.58;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nda_N0";;;;;;;1.17;;-3.77;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM392214;MM392214;Cn1oc(=NO)c(N)c1O;PXHMDMHDALLLOW-UHFFFAOYSA-N;145.12;-0.8;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP2_SP1";;;;;;;-1.06;;-3.82;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM392215;MM392215;NCCCC(CF)C(F)F;JZVKZUXGZMUMMB-UHFFFAOYSA-N;155.16;1.58;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_Na";;;;;;;0.87;;-4.68;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM392216;MM392216;NN=c1on(N)c(O)c1N;WXZVAXSNNZPBTG-UHFFFAOYSA-N;145.12;-2.14;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP2_SP1";;;;;;;-1.06;;-3.82;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM392217;MM392217;CCC(CCNC)C(C)C;BYSJLGQDVDYQPY-UHFFFAOYSA-N;143.27;2.28;;;;;DOPC;MDCG;27;1;"MARTINI bead: C1_Nd";;;;;;;2.91;;-0.85;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM392218;MM392218;C#CC(=O)C#CC=NNC;ZVRYZXDJRJNLEX-UHFFFAOYSA-N;134.14;-0.6;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nd_Na";;;;;;;0.87;;-1.88;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM392219;MM392219;CNCCC(CN)C(C)C;WYZPMTQMBYSPJJ-UHFFFAOYSA-N;144.26;0.83;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1_C5";;;;;;;0.81;;-3.75;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM392220;MM392220;C#CC(=O)C#CC=NOC;QIVCDXOJJKYBES-UHFFFAOYSA-N;135.12;-0.18;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_Na";;;;;;;0.87;;-2.22;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM392221;MM392221;CNCCC(CO)C(C)C;PNNOJAMQAQUEHB-UHFFFAOYSA-N;145.25;0.86;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1_C5";;;;;;;0.81;;-3.29;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM392222;MM392222;CCOC(N=CNN)=NC;IHGLAFHIVSVFEF-UHFFFAOYSA-N;144.18;-0.5;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_P4";;;;;;;-0.41;;-2.77;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM392223;MM392223;CNCCC(CF)C(C)C;JTHLNQXBRKBEEM-UHFFFAOYSA-N;147.24;1.84;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1_C1";;;;;;;2.08;;-1.47;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM392224;MM392224;CCN=C(N=CNN)OC;OYKOTRHQBOVXEY-UHFFFAOYSA-N;144.18;-0.5;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_P4";;;;;;;-0.41;;-2.77;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM392225;MM392225;CCC(CCNC)C(C)F;LIOWXVLGGDRILG-UHFFFAOYSA-N;147.24;1.98;;;;;DOPC;MDCG;27;1;"MARTINI bead: C1_Nd";;;;;;;2.91;;-0.84;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM392226;MM392226;C=C(F)C(=NN)N(C)OC;RONSVRMHKJXDDF-UHFFFAOYSA-N;147.15;0.24;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_C5";;;;;;;0.54;;-1.09;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM392227;MM392227;CNCCC(CN)C(C)F;YYDHVONVDOVTRB-UHFFFAOYSA-N;148.23;0.53;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1_Nda";;;;;;;0.04;;-5.95;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM392228;MM392228;Cc1c(O)c(=NN)on1O;CSFWAKVFJDZVIM-UHFFFAOYSA-N;145.12;-0.89;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNda_SP2";;;;;;;-0.24;;-3.31;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM392229;MM392229;CCC(CCNC)C(F)F;TYOOFXGCPVVBOV-UHFFFAOYSA-N;151.2;1.89;;;;;DOPC;MDCG;27;1;"MARTINI bead: C3_P1";;;;;;;1.74;;-2.41;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM392230;MM392230;N#Cc1oc(=O)n(O)c1O;POVJJEPRWPMVIU-UHFFFAOYSA-N;142.07;-0.74;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP1_SP2";;;;;;;-1.06;;-8.23;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM392231;MM392231;CNCCC(CF)C(F)F;HTGJBMBSTGRSDS-UHFFFAOYSA-N;155.16;1.45;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_Na";;;;;;;0.87;;-4.98;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM392232;MM392232;C=CN(N)C(=NN)C(=C)F;QDBPKSLGGDQNFL-UHFFFAOYSA-N;144.15;0.06;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda_N0";;;;;;;1.17;;-1.13;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM392233;MM392233;CNC(CCCN)C(C)C;DOUOWMHOLDCDIZ-UHFFFAOYSA-N;144.26;0.97;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_Nd";;;;;;;0.87;;-5.66;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM392234;MM392234;Cn1oc(=NO)c(O)c1N;LATINSCEINEAPD-UHFFFAOYSA-N;145.12;-0.8;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP2_SP1";;;;;;;-1.06;;-3.82;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM392235;MM392235;CNC(CCCO)C(C)C;KOTMCDOTIDENRN-UHFFFAOYSA-N;145.25;1;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_Nda";;;;;;;0.87;;-5.09;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM392236;MM392236;C=NN(C)C(=NN)C(=C)F;KXAXICQREXEBDA-UHFFFAOYSA-N;144.15;0.29;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_C5";;;;;;;0.54;;-1.09;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM392237;MM392237;CNC(CCCF)C(C)C;ACQUUTVELBEXFP-UHFFFAOYSA-N;147.24;1.98;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_C4";;;;;;;2.2;;-2.88;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM392238;MM392238;NN=c1on(O)c(N)c1O;KXOYKHOFDINBOD-UHFFFAOYSA-N;146.11;-1.62;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP2_SP1";;;;;;;-1.06;;-3.82;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM392239;MM392239;CCCCC(NC)C(C)F;PAIAPSIWEMGFTD-UHFFFAOYSA-N;147.24;2.12;;;;;DOPC;MDCG;27;1;"MARTINI bead: C1_Nda";;;;;;;2.91;;0.17;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM392240;MM392240;CC1CN1C(=O)C(=O)O;PJPLWARCZZKTTP-UHFFFAOYSA-N;129.12;-0.7;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP1_P1";;;;;;;-0.79;;-7.63;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM392241;MM392241;CNCCC(NC)C(C)C;ZHRVFHNNOPHSJA-UHFFFAOYSA-N;144.26;0.84;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_Nd";;;;;;;0.87;;-5.38;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM392242;MM392242;CCOc1oc(=O)oc1O;RIYRBMZABWKKLI-UHFFFAOYSA-N;146.1;0.34;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_SP2";;;;;;;-1.06;;-8.23;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM392243;MM392243;CNCCC(OC)C(C)C;HIBYHJBPYONQNC-UHFFFAOYSA-N;145.25;1.27;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1_C4";;;;;;;1.37;;-2.82;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM392244;MM392244;Cn1oc(=NN)c(O)c1F;ZLTJBNIZQVUCJP-UHFFFAOYSA-N;147.11;-0.76;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP2_SNda";;;;;;;-0.24;;-3.31;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM392245;MM392245;CCNCC(CC)C(C)C;FLRFGFQMWBVYER-UHFFFAOYSA-N;143.27;2.28;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_C1";;;;;;;2.91;;-1.07;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM392246;MM392246;O=c1cc(O)nc(O)n1O;FGNZRPNYUVBPAW-UHFFFAOYSA-N;144.09;-1.11;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP1_SP2";;;;;;;-1.06;;-8.23;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM392247;MM392247;CCNCC(CN)C(C)C;GHYFDBOMBYYULW-UHFFFAOYSA-N;144.26;0.83;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1_C5";;;;;;;0.81;;-3.57;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM392248;MM392248;NN=c1on(N)c(F)c1O;NQBUCEMNGHCVPJ-UHFFFAOYSA-N;148.1;-1.59;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP2_SNda";;;;;;;-0.24;;-3.31;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM392249;MM392249;CCNCC(CO)C(C)C;RIHUQBLLQLDAIF-UHFFFAOYSA-N;145.25;0.86;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1_C5";;;;;;;0.81;;-3.32;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM392250;MM392250;COC(OC(N)=O)C(=O)O;WOEBZIFXQRLJLV-UHFFFAOYSA-N;149.1;-0.86;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_P2";;;;;;;-1.06;;-8.23;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM392251;MM392251;CCNCC(CF)C(C)C;GYEOBMHDYVBIBJ-UHFFFAOYSA-N;147.24;1.84;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nda_C3";;;;;;;2.57;;-1.89;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM392252;MM392252;NN=c1on(O)c(F)c1O;PROCFGHRHWFMPL-UHFFFAOYSA-N;149.08;-1.06;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP2_SNda";;;;;;;-0.24;;-3.31;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM392253;MM392253;CCNCC(CC)C(C)N;GNTQYWRNQMVRGY-UHFFFAOYSA-N;144.26;0.97;;;;;DOPC;MDCG;27;1;"MARTINI bead: C4_P1";;;;;;;1.37;;-3.09;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM392254;MM392254;CC1OC1CC#CC(=O)O;GAZOZDFVEQVULP-UHFFFAOYSA-N;140.14;0.25;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNa_P1";;;;;;;0.04;;-7.03;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM392255;MM392255;CCNCC(CC)C(C)O;KKKCHHKNKCYXTH-UHFFFAOYSA-N;145.25;1;;;;;DOPC;MDCG;27;1;"MARTINI bead: C4_P1";;;;;;;1.37;;-2.77;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM392256;MM392256;CN(N)C(=NN)C(F)=CN;RIFCYWJDKGMKNP-UHFFFAOYSA-N;147.16;-1.17;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_Nda";;;;;;;-0.24;;-3.31;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM392257;MM392257;CCNCC(CF)C(C)F;LYHKQVNFACRJGY-UHFFFAOYSA-N;151.2;1.54;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nda_C5";;;;;;;1.64;;-2.54;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM392258;MM392258;CN(N)C(=NN)C(F)=CF;PSTKLUXXAWVCQZ-UHFFFAOYSA-N;150.13;-0.16;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_C5";;;;;;;0.54;;-1.09;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM392259;MM392259;CCNCC(CO)C(F)F;RFGFDMVCRAXZOO-UHFFFAOYSA-N;153.17;0.47;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_P1";;;;;;;0.04;;-4.74;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM392260;MM392260;CCC1CC2C(C1)C2(C)O;DXCUINLKHARQJK-UHFFFAOYSA-N;140.23;1.8;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC1_SNda";;;;;;;2.91;;0.57;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM392261;MM392261;CCNCC(CF)C(F)F;FLYHCHPZYBHOCZ-UHFFFAOYSA-N;155.16;1.45;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_Na";;;;;;;0.87;;-4.16;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM392262;MM392262;C=CC1=CC2C(C1)C2(C)O;YIHUIBBRYPYNEV-UHFFFAOYSA-N;136.19;1.5;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNda_SC3";;;;;;;2.57;;0.44;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM392263;MM392263;CCNCC(NC)C(C)C;PRVQCBNOLFIOFQ-UHFFFAOYSA-N;144.26;0.84;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_Nd";;;;;;;0.87;;-4.86;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM392264;MM392264;CC1(O)C2C=C(C=O)CC21;QDXDDBKTYXHFPE-UHFFFAOYSA-N;138.17;0.51;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNda_SNa";;;;;;;0.87;;-1.99;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM392265;MM392265;CCNCC(NC)C(F)F;YIXFILWGNGKTEW-UHFFFAOYSA-N;152.19;0.45;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_P1";;;;;;;0.04;;-4.23;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM392266;MM392266;NN=c1on(O)c(N)c1F;WZBDVHUDSVXGPR-UHFFFAOYSA-N;148.1;-1.19;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP2_SNda";;;;;;;-0.24;;-3.31;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM392267;MM392267;CCNCC(OC)C(C)F;SQCLTKCFECJBGM-UHFFFAOYSA-N;149.21;0.97;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_Na";;;;;;;0.87;;-4.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM392268;MM392268;Oc1nnc(O)o1;OHXLAJQMPZYGMI-UHFFFAOYSA-N;102.05;-0.52;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP1_SP1";;;;;;;-0.79;;-7.63;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM392269;MM392269;CCOCC(CO)C(C)N;VATYGXSNOSZQSP-UHFFFAOYSA-N;147.22;-0.02;;;;;DOPC;MDCG;27;1;"MARTINI bead: Na_P2";;;;;;;-0.24;;-5.83;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM392270;MM392270;O=C(O)CC(=NO)C(=O)O;SVYFTMFOIYMVCO-UHFFFAOYSA-N;147.09;-0.62;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_P1";;;;;;;-1.06;;-8.23;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM392271;MM392271;CCOCC(CN)C(C)F;QATTZXRKAAVZKD-UHFFFAOYSA-N;149.21;0.96;;;;;DOPC;MDCG;27;1;"MARTINI bead: Na_Nda";;;;;;;0.87;;-4.65;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM392272;MM392272;Oc1noc(F)c1O;CNJNBJNMTADFCB-UHFFFAOYSA-N;119.05;0.22;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNda_SNa";;;;;;;0.87;;-6.51;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM392273;MM392273;Oc1noc(O)c1F;VWJWOPPNMWJTLY-UHFFFAOYSA-N;119.05;0.22;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNda_SNda";;;;;;;0.87;;-6.58;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM392274;MM392274;CCC(NCCN)C(C)C;BZQGGVZIRUIQJN-UHFFFAOYSA-N;144.26;0.97;;;;;DOPC;MDCG;27;1;"MARTINI bead: C1_P4";;;;;;;0.85;;-3.47;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM392275;MM392275;N=c1cccnn1C(=O)O;QECRVCCDZHRHBH-UHFFFAOYSA-N;139.11;-0.11;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP3_SP1";;;;;;;-1.93;;-8.81;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM392276;MM392276;CCC(NCCO)C(C)C;YVNZTAQXNWSCIY-UHFFFAOYSA-N;145.25;1;;;;;DOPC;MDCG;27;1;"MARTINI bead: C1_P3";;;;;;;0.94;;-2.68;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM392277;MM392277;NC(=NOC=NO)C(=O)O;XOBCAFMOJAULKB-UHFFFAOYSA-N;147.09;-1.22;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_P1";;;;;;;-1.06;;-8.23;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM392278;MM392278;CCC(NCCF)C(C)C;PFPJYBNGPLMYES-UHFFFAOYSA-N;147.24;1.98;;;;;DOPC;MDCG;27;1;"MARTINI bead: C1_P2";;;;;;;1.8;;-0.92;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM392279;MM392279;C#CC=NN=C(CC)NN;CMGKYWDPLCHBBI-UHFFFAOYSA-N;138.17;-0.12;;;;;DOPC;MDCG;27;0;"MARTINI bead: P3_C3";;;;;;;0.6;;-0.8;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM392280;MM392280;CC(C)C(CN)NCCO;KOTVVZCTJYVUHS-UHFFFAOYSA-N;146.23;-0.45;;;;;DOPC;MDCG;27;1;"MARTINI bead: P2_P1";;;;;;;-1.06;;-6.33;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM392281;MM392281;N=CN(C=O)C(=N)CC=O;GZIKDYSAUNORAD-UHFFFAOYSA-N;141.13;-0.38;;;;;DOPC;MDCG;27;0;"MARTINI bead: P4_Na";;;;;;;-1.19;;-4.76;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM392282;MM392282;CC(C)C(CN)NCCF;YAKKMSFHMYUNPG-UHFFFAOYSA-N;148.23;0.53;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1_Na";;;;;;;0.04;;-4.63;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM392283;MM392283;NN=c1on(O)c(F)c1F;NZLQJVKEJFZQSN-UHFFFAOYSA-N;151.07;-0.63;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP2_SNa";;;;;;;-0.24;;-3.24;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM392284;MM392284;CC(C)C(CO)NCCO;XGHALZSQDJLJGU-UHFFFAOYSA-N;147.22;-0.41;;;;;DOPC;MDCG;27;1;"MARTINI bead: C5_P3";;;;;;;-0.33;;-4.21;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM392285;MM392285;O=C(O)C(C=NO)=NO;RFZPMOIOSVOBEK-UHFFFAOYSA-N;132.08;-0.64;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_P1";;;;;;;-1.06;;-8.23;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM392286;MM392286;CCCNC(CF)C(C)C;VXTXLWSIWKRFTR-UHFFFAOYSA-N;147.24;1.98;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_C2";;;;;;;2.83;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM392287;MM392287;C=c1oc(=CC)c(C)c1C;IVPXXYJOKGZGEM-UHFFFAOYSA-N;136.19;1.11;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC4_SC4";;;;;;;3.53;;0.53;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM392288;MM392288;CCC(NCCO)C(C)N;WONDIJAGCPCDDO-UHFFFAOYSA-N;146.23;-0.31;;;;;DOPC;MDCG;27;1;"MARTINI bead: C5_P3";;;;;;;-0.33;;-4.57;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM392289;MM392289;C=c1oc(=CF)c(C)c1C;MXIJNIKWLWOHTD-UHFFFAOYSA-N;140.16;1.01;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC4_SNa";;;;;;;2.2;;0.34;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM392290;MM392290;CC(N)C(CO)NCCN;FBLMKWFKTZUQEI-UHFFFAOYSA-N;147.22;-1.76;;;;;DOPC;MDCG;27;1;"MARTINI bead: P2_P4";;;;;;;-2.29;;-8.2;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM392291;MM392291;C=c1oc(=CC)c(C)c1F;BNMHUJUYQKJOPC-UHFFFAOYSA-N;140.16;0.94;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC4_SC5";;;;;;;2.97;;0.45;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM392292;MM392292;CC(N)C(CO)NCCO;HOOGLGFHNYGUDC-UHFFFAOYSA-N;148.21;-1.72;;;;;DOPC;MDCG;27;1;"MARTINI bead: P2_P3";;;;;;;-2.2;;-7.23;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM392293;MM392293;C=c1oc(=CF)c(C)c1F;VULHFWLCNJAAGR-UHFFFAOYSA-N;144.12;0.84;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC5_SNa";;;;;;;1.64;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM392294;MM392294;CCC(NCCO)C(C)O;IUKZNGWBBJVKKR-UHFFFAOYSA-N;147.22;-0.27;;;;;DOPC;MDCG;27;1;"MARTINI bead: C5_P3";;;;;;;-0.33;;-4.21;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM392295;MM392295;C=c1oc(=CC)c(F)c1C;WEQJSPDMPFAWFT-UHFFFAOYSA-N;140.16;0.94;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC4_SC5";;;;;;;2.97;;0.45;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM392296;MM392296;CC(O)C(CO)NCCN;IJCNPEJPFRKGKV-UHFFFAOYSA-N;148.21;-1.72;;;;;DOPC;MDCG;27;1;"MARTINI bead: P2_P4";;;;;;;-2.29;;-8.02;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM392297;MM392297;C=c1oc(=CF)c(F)c1C;SEJRPZNIOPRLLQ-UHFFFAOYSA-N;144.12;0.84;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC5_SNa";;;;;;;1.64;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM392298;MM392298;CC(O)C(CO)NCCO;CLNZSLWZOMOAGO-UHFFFAOYSA-N;149.19;-1.69;;;;;DOPC;MDCG;27;1;"MARTINI bead: P3_P1";;;;;;;-1.93;;-6.22;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM392299;MM392299;C=c1oc(=CC)c(F)c1F;PZVVAMOJNXACKP-UHFFFAOYSA-N;144.12;0.77;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC4_SC5";;;;;;;2.97;;0.45;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM392300;MM392300;CC(F)C(CN)NCCF;IASDMULLNRNDOI-UHFFFAOYSA-N;152.19;0.23;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nda_P2";;;;;;;-0.24;;-5.21;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM392301;MM392301;C=c1oc(=CF)c(F)c1F;CXFPAZILRVIJMH-UHFFFAOYSA-N;148.08;0.68;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNa_SC5";;;;;;;1.64;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM392302;MM392302;CC(F)C(CF)NCCN;SGGBRVXTEYKAFC-UHFFFAOYSA-N;152.19;0.23;;;;;DOPC;MDCG;27;1;"MARTINI bead: C5_P4";;;;;;;-0.41;;-4.69;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM392303;MM392303;CCn1cc(N)c(C)c1O;MPFAGMBLARCKSZ-UHFFFAOYSA-N;140.19;1.1;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC5_SNd";;;;;;;1.64;;0.02;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM392304;MM392304;CC(F)C(CF)NCCF;PKHANIXBHJXALP-UHFFFAOYSA-N;155.16;1.24;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_P2";;;;;;;0.54;;-1.09;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM392305;MM392305;CCn1cc(F)c(C)c1O;HMGQIPDMCSDOQZ-UHFFFAOYSA-N;143.16;1.66;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC5_SNa";;;;;;;1.64;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM392306;MM392306;CCC(OCCN)C(C)C;DAYAQTIMTOVSFN-UHFFFAOYSA-N;145.25;1.4;;;;;DOPC;MDCG;27;1;"MARTINI bead: C1_P3";;;;;;;0.94;;-1.82;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM392307;MM392307;CCn1cc(C)c(N)c1O;FBTWZDPRIMSLRO-UHFFFAOYSA-N;140.19;1.1;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC5_SNd";;;;;;;1.64;;0.02;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM392308;MM392308;CC(C)C(CN)OCCN;FCMQWWYBNQQHTJ-UHFFFAOYSA-N;146.23;-0.05;;;;;DOPC;MDCG;27;1;"MARTINI bead: C5_P3";;;;;;;-0.33;;-4.33;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM392309;MM392309;CCn1cc(F)c(F)c1O;QCDYLQVIDWJHLI-UHFFFAOYSA-N;147.12;1.49;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC5_SC5";;;;;;;2.41;;0.64;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM392310;MM392310;CC(C)C(CN)OCCO;JNMWLQKVVUGUFJ-UHFFFAOYSA-N;147.22;-0.02;;;;;DOPC;MDCG;27;1;"MARTINI bead: P2_Nda";;;;;;;-0.24;;-5.37;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM392311;MM392311;CNn1cc(C)c(F)c1C;HPEMHAJIRXSYRF-UHFFFAOYSA-N;142.18;1.42;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNd_SNa";;;;;;;0.87;;-1.88;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM392312;MM392312;CC(C)C(CN)OCCF;NDFMSUDSMSRMFN-UHFFFAOYSA-N;149.21;0.96;;;;;DOPC;MDCG;27;1;"MARTINI bead: C5_P2";;;;;;;0.54;;-3.14;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM392313;MM392313;CNn1cc(N)c(F)c1N;CZJULGOVIVTIOL-UHFFFAOYSA-N;144.15;-0.04;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP1_SNda";;;;;;;0.04;;-2.73;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM392314;MM392314;CC(C)C(CO)OCCN;DRBGREVWWFDPPG-UHFFFAOYSA-N;147.22;-0.02;;;;;DOPC;MDCG;27;1;"MARTINI bead: C5_P3";;;;;;;-0.33;;-4.03;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM392315;MM392315;CNn1cc(F)c(F)c1N;LJSIKSKSMDVBBA-UHFFFAOYSA-N;147.13;0.52;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP1_SC5";;;;;;;0.81;;-0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM392316;MM392316;CC(C)C(CO)OCCO;GVDLMMMUAUEWAZ-UHFFFAOYSA-N;148.2;0.01;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_P3";;;;;;;-0.33;;-2.01;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM392317;MM392317;CCn1nc(F)c(C)c1N;RPRPVGRTOXDNAU-UHFFFAOYSA-N;143.17;0.93;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNda_SNa";;;;;;;0.87;;-1.99;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM392318;MM392318;CC(C)C(CF)OCCF;LRRWUEAJKCUJHQ-UHFFFAOYSA-N;152.18;1.97;;;;;DOPC;MDCG;27;0;"MARTINI bead: C2_P2";;;;;;;1.72;;0.27;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM392319;MM392319;CCn1nc(C)c(N)c1N;MEKRUGGNBTYVRV-UHFFFAOYSA-N;140.19;0.38;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNda_SP1";;;;;;;0.04;;-2.73;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM392320;MM392320;CC(N)C(CO)OCCO;SKMNOKWWUHGYGT-UHFFFAOYSA-N;149.19;-1.3;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1_P3";;;;;;;-1.93;;-6.64;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM392321;MM392321;NN=C(NN)C(F)=CCF;YVNJIENVLBSLGW-UHFFFAOYSA-N;150.13;-0.46;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_C5";;;;;;;0.54;;-1.09;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM392322;MM392322;CC(O)C(CO)OCCN;MTBGQQXHTJQWGC-UHFFFAOYSA-N;149.19;-1.3;;;;;DOPC;MDCG;27;1;"MARTINI bead: P2_P3";;;;;;;-2.2;;-7.21;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM392323;MM392323;Cn1nnc(O)c1F;KGTYNNMXMVFNSQ-UHFFFAOYSA-N;117.08;-0.34;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP1_SP2";;;;;;;-1.06;;-8.23;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM392324;MM392324;CC(O)C(CO)OCCO;JQHGBHICOQGXOE-UHFFFAOYSA-N;150.17;-1.26;;;;;DOPC;MDCG;27;0;"MARTINI bead: P3_P1";;;;;;;-1.93;;-4.72;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM392325;MM392325;Cc1cn(C=N)c(C)c1C;FPYFDIHACCHSRX-UHFFFAOYSA-N;136.2;1.87;;;;;DOPC;MDCG;27;1;"MARTINI bead: SNd_SC5";;;;;;;1.64;;-4.75;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM392326;MM392326;NCCOC(CO)C(F)F;MEHUDWFQJXDOJI-UHFFFAOYSA-N;155.14;-0.41;;;;;DOPC;MDCG;27;1;"MARTINI bead: P3_N0";;;;;;;-0.8;;-5.01;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM392327;MM392327;Cc1cn(C=O)c(C)c1C;KXXMGQHGIAOSRA-UHFFFAOYSA-N;137.18;1.45;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNa_SC5";;;;;;;1.64;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM392328;MM392328;OCCOC(CO)C(F)F;VTSMSTITQGEWBG-UHFFFAOYSA-N;156.13;-0.38;;;;;DOPC;MDCG;27;0;"MARTINI bead: P3_N0";;;;;;;-0.8;;-2.99;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM392329;MM392329;Cc1c(N)cn(C=O)c1C;ABYCHLCNDKWPDB-UHFFFAOYSA-N;138.17;0.73;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNd_SNa";;;;;;;0.87;;-1.88;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM392330;MM392330;COCOC(CO)C(C)F;MRJJTSWABDUZJE-UHFFFAOYSA-N;152.17;0.33;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_Nda";;;;;;;-0.24;;-3.31;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM392331;MM392331;C=Cn1cc(C)c(O)c1C;HXLPYOKHVRTSEG-UHFFFAOYSA-N;137.18;1.91;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC5_SNda";;;;;;;1.64;;0.05;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM392332;MM392332;COC(OCCN)C(C)N;SELKQJRRGZBKMC-UHFFFAOYSA-N;148.21;-0.72;;;;;DOPC;MDCG;27;1;"MARTINI bead: P3_P1";;;;;;;-1.93;;-6.85;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM392333;MM392333;C=Cn1cc(N)c(O)c1C;QGSGXUIKVVMRJQ-UHFFFAOYSA-N;138.17;1.18;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP1_SC5";;;;;;;0.81;;-0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM392334;MM392334;C=Cn1cc(N)c(C)c1N;CHYGLHTYIZYBFA-UHFFFAOYSA-N;137.19;1.06;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNd_SNd";;;;;;;0.87;;-2.11;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM392335;MM392335;COC(OCCO)C(C)N;XQMKUHWHJOYQJL-UHFFFAOYSA-N;149.19;-0.69;;;;;DOPC;MDCG;27;1;"MARTINI bead: P2_P1";;;;;;;-1.06;;-5.38;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM392336;MM392336;Cc1c(N)cn(C=N)c1N;VVGGZXGDZKWHDT-UHFFFAOYSA-N;138.17;0.42;;;;;DOPC;MDCG;27;1;"MARTINI bead: SNd_SP1";;;;;;;0.04;;-8.24;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM392337;MM392337;COC(OCCO)C(C)O;NTEGMYMNAQNMGC-UHFFFAOYSA-N;150.17;-0.65;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_P1";;;;;;;-1.06;;-3.82;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM392338;MM392338;C=Cn1cc(F)c(O)c1N;MZKYTUWUEOORIW-UHFFFAOYSA-N;142.13;1.02;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNda_SNd";;;;;;;0.87;;-1.92;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM392339;MM392339;COC(OCCN)C(C)F;MAOXJDWOJURLTG-UHFFFAOYSA-N;151.18;0.29;;;;;DOPC;MDCG;27;1;"MARTINI bead: P3_C5";;;;;;;-0.33;;-4.02;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM392340;MM392340;C=Cn1cc(C)c(F)c1N;AZSBCSDZSCTQFR-UHFFFAOYSA-N;140.16;1.62;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNd_SNa";;;;;;;0.87;;-1.88;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM392341;MM392341;COCOC(OC)C(C)C;KPFFXYJHJOMFGL-UHFFFAOYSA-N;148.2;1.24;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_C5";;;;;;;0.54;;-1.09;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM392342;MM392342;N=Cn1cc(F)c(F)c1O;FOFHABZMTOJGGJ-UHFFFAOYSA-N;146.1;0.93;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC5_SNda";;;;;;;1.64;;0.05;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM392343;MM392343;COCOC(OC)C(C)N;PPTDRSDVSSJIKQ-UHFFFAOYSA-N;149.19;-0.07;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1_P1";;;;;;;-0.79;;-4.69;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM392344;MM392344;C=Cn1cc(N)c(F)c1F;VVGWBUHNPVEMPS-UHFFFAOYSA-N;144.12;1.45;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC5_SNda";;;;;;;1.64;;0.05;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM392345;MM392345;CN(C)C(CO)CCCN;IVHGDBDSIWWMMN-UHFFFAOYSA-N;146.23;-0.35;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1_P1";;;;;;;-0.79;;-6;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM392346;MM392346;C=Nn1cc(N)c(C)c1C;POZJFQPXZPWNGH-UHFFFAOYSA-N;137.19;1.15;;;;;DOPC;MDCG;27;1;"MARTINI bead: SNd_SN0";;;;;;;1.17;;-3.37;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM392347;MM392347;CN(C)C(CF)CCCN;IDSONBRUFLBVPP-UHFFFAOYSA-N;148.23;0.63;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nda_P1";;;;;;;0.04;;-5.51;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM392348;MM392348;C=Nn1cc(C)c(N)c1C;IZCVTRZPOYIFFY-UHFFFAOYSA-N;137.19;1.15;;;;;DOPC;MDCG;27;1;"MARTINI bead: SN0_SNd";;;;;;;1.17;;-3.36;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM392349;MM392349;CCN(CCCN)C(C)C;IBRHEERYRVZERA-UHFFFAOYSA-N;144.26;1.07;;;;;DOPC;MDCG;27;1;"MARTINI bead: C5_P1";;;;;;;0.81;;-3.44;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM392350;MM392350;C=Nn1cc(N)c(N)c1C;BRPBFLOIJUFWFH-UHFFFAOYSA-N;138.17;0.42;;;;;DOPC;MDCG;27;1;"MARTINI bead: SP1_SN0";;;;;;;0.34;;-4.3;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM392351;MM392351;CCN(CCCO)C(C)C;CSNVHQHWOLPVET-UHFFFAOYSA-N;145.25;1.1;;;;;DOPC;MDCG;27;1;"MARTINI bead: C5_P1";;;;;;;0.81;;-3.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM392352;MM392352;C=Nn1cc(C)c(N)c1N;BORMWRIAVMVABQ-UHFFFAOYSA-N;138.17;0.42;;;;;DOPC;MDCG;27;1;"MARTINI bead: SNd_SNd";;;;;;;0.87;;-4.11;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM392353;MM392353;CC(C)C(CF)CCC=O;AWYZMUXTYDHLLN-UHFFFAOYSA-N;146.21;2.21;;;;;DOPC;MDCG;27;0;"MARTINI bead: C3_Na";;;;;;;2.57;;0.45;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM392354;MM392354;C=Nn1cc(F)c(F)c1N;LHSJKUNODJGZSE-UHFFFAOYSA-N;145.11;0.81;;;;;DOPC;MDCG;27;1;"MARTINI bead: SC5_SNd";;;;;;;1.64;;-1.01;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM392355;MM392355;C=CCCC(CF)C(C)N;CSTYHMPDERYMEJ-UHFFFAOYSA-N;145.22;1.89;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nda_C4";;;;;;;2.2;;-2.22;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM392356;MM392356;C=Nn1cc(C)c(N)c1O;UUEQEJQBHVQLTO-UHFFFAOYSA-N;139.16;0.55;;;;;DOPC;MDCG;27;1;"MARTINI bead: SNda_SNd";;;;;;;0.87;;-3.15;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM392357;MM392357;CCC(CCC=O)C(C)F;QYCKLGUXADVGAP-UHFFFAOYSA-N;146.21;2.35;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1_Na";;;;;;;2.91;;0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM392358;MM392358;C=Nn1cc(F)c(N)c1O;OFCIAMROAGKYLL-UHFFFAOYSA-N;143.12;0.38;;;;;DOPC;MDCG;27;1;"MARTINI bead: SNda_SNda";;;;;;;0.87;;-3.07;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM392359;MM392359;C=CCCC(CN)C(C)F;FIEVUGSFQCMZRY-UHFFFAOYSA-N;145.22;1.89;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nda_C4";;;;;;;2.2;;-1.97;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM392360;MM392360;C=Cn1nc(F)c(C)c1N;COWRGRNJVAKHJA-UHFFFAOYSA-N;141.15;1.01;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNa_SP1";;;;;;;0.04;;-2.54;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM392361;MM392361;C=CCCC(NC)C(C)C;JIEOXGWKFKWHNF-UHFFFAOYSA-N;141.26;2.2;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_C3";;;;;;;2.57;;-2.21;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM392362;MM392362;N=Cn1nc(F)c(F)c1N;ZOBVQMGZLZDIIU-UHFFFAOYSA-N;146.1;0.2;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNa_SP2";;;;;;;-0.24;;-3.24;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM392363;MM392363;CNC(CCC=O)C(C)C;IPWMVPUUEXFSDC-UHFFFAOYSA-N;143.23;1.21;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_Na";;;;;;;0.87;;-5.08;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM392364;MM392364;C=Nn1nc(C)c(C)c1C;NTNAWKLCSBURAF-UHFFFAOYSA-N;137.19;1.27;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNa_SN0";;;;;;;1.17;;-1.17;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM392365;MM392365;C=CCCC(NC)C(C)N;MQPNJDLGDYDAOH-UHFFFAOYSA-N;142.25;0.89;;;;;DOPC;MDCG;27;1;"MARTINI bead: C5_P1";;;;;;;0.81;;-3.47;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM392366;MM392366;C=Nn1nc(C)c(F)c1C;XGJYGQPXOXUUIG-UHFFFAOYSA-N;141.15;1.1;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNa_SNa";;;;;;;0.87;;-2.22;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM392367;MM392367;C=CCCC(NC)C(C)O;VMLDMDAJPVHENL-UHFFFAOYSA-N;143.23;0.92;;;;;DOPC;MDCG;27;1;"MARTINI bead: C5_P1";;;;;;;0.81;;-3.26;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM392368;MM392368;CNc1ncn(N)c(=O)n1;XNSCDZZLWXDTBO-UHFFFAOYSA-N;141.13;-1.61;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNda_SP4";;;;;;;-1.19;;-4.91;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM392369;MM392369;CNC(CCC=O)C(C)F;VJETWYQBSZFWEW-UHFFFAOYSA-N;147.19;0.91;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nda_Na";;;;;;;0.87;;-3.53;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM392370;MM392370;CNN=CC(=O)C(=O)O;OVIHODIJFXHVPK-UHFFFAOYSA-N;130.1;-1.15;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_P1";;;;;;;-0.79;;-7.63;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM392371;MM392371;COC(CCC=O)C(C)O;ZGXWZFGATSODLU-UHFFFAOYSA-N;146.19;0.36;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_Na";;;;;;;0.04;;-2.54;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM392372;MM392372;Cc1[nH]c(N=N)c(N)c1N;AQVWMHPXFFIIAQ-UHFFFAOYSA-N;139.16;1.15;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP1_SNd";;;;;;;0.04;;-2.63;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM392373;MM392373;CC(C)C(CN)CNC=O;AXDOXLOQTFTWLF-UHFFFAOYSA-N;144.22;-0.04;;;;;DOPC;MDCG;27;1;"MARTINI bead: C5_P3";;;;;;;-0.33;;-4.34;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM392374;MM392374;CCC1=CC(C)C(C)=C1C;MYCYJMSIJNTGFA-UHFFFAOYSA-N;136.24;3.31;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC3_SC3";;;;;;;4.27;;0.2;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM392375;MM392375;CC(C)C(CF)CNC=N;QNIGAPJQBSCMGM-UHFFFAOYSA-N;146.21;1.42;;;;;DOPC;MDCG;27;1;"MARTINI bead: C2_P3";;;;;;;0.86;;-4.17;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM392376;MM392376;CC1=C(C)C(C)C=C1CN;TVMLMUITEGYGIX-UHFFFAOYSA-N;137.23;1.86;;;;;DOPC;MDCG;27;1;"MARTINI bead: SNd_SC3";;;;;;;2.57;;-0.92;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM392377;MM392377;NN=c1oc(N)noc1=O;FDHLOYKZZAPORF-UHFFFAOYSA-N;144.09;-2.02;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP2_SP3";;;;;;;-2.2;;-5.19;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM392378;MM392378;CCC1=CC(C)C(F)=C1C;DIIYMKZCNHIDAW-UHFFFAOYSA-N;140.2;3.22;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC3_SC4";;;;;;;3.9;;0.47;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM392379;MM392379;CCC(CNC=N)C(C)F;DGOPCXOWKWNCLP-UHFFFAOYSA-N;146.21;1.57;;;;;DOPC;MDCG;27;1;"MARTINI bead: C1_P3";;;;;;;0.94;;-3.83;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM392380;MM392380;CC1=C(F)C(C)C=C1CN;KPUIBRYIYKMOKF-UHFFFAOYSA-N;141.19;1.76;;;;;DOPC;MDCG;27;1;"MARTINI bead: SNd_SC4";;;;;;;2.2;;-1.61;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM392381;MM392381;COC(=NN)N(C=N)C=N;JLZKXPPOTMNHKA-UHFFFAOYSA-N;143.15;-0.62;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_P2";;;;;;;-1.34;;-4.31;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM392382;MM392382;C=CC1=CC(C)C(C)=C1C;YNRVXQUUQHISIY-UHFFFAOYSA-N;134.22;3.08;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC4_SC3";;;;;;;3.9;;0.47;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM392383;MM392383;N=CNCC(CF)C(F)F;RQNSPPWAZIAKAW-UHFFFAOYSA-N;154.14;1.03;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1_N0";;;;;;;0.34;;-5.82;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM392384;MM392384;CC1=C(C)C(C)C=C1C=O;RPNYUDZOCDJFFB-UHFFFAOYSA-N;136.19;2.1;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNa_SC3";;;;;;;2.57;;0.45;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM392385;MM392385;C=NNCC(CC)C(C)C;NUGHFPNFNVOHBU-UHFFFAOYSA-N;142.25;1.87;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1_P2";;;;;;;1.8;;0.41;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM392386;MM392386;CC1=C(C)C(C)C=C1C#N;ZLYVNIHDVANUQW-UHFFFAOYSA-N;133.19;2.42;;;;;DOPC;MDCG;27;0;"MARTINI bead: SN0_SC3";;;;;;;2.87;;0.37;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM392387;MM392387;C=NNCC(CN)C(C)C;DUZLNVOUBGBNIB-UHFFFAOYSA-N;143.23;0.42;;;;;DOPC;MDCG;27;1;"MARTINI bead: C5_P2";;;;;;;0.54;;-3.54;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM392388;MM392388;C=CC1=CC(N)C(C)=C1C;ZQAIJDFGKSAUET-UHFFFAOYSA-N;135.21;1.78;;;;;DOPC;MDCG;27;1;"MARTINI bead: SNd_SC4";;;;;;;2.2;;-1.33;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM392389;MM392389;C=NNCC(CC)C(C)N;VPXWQURUEDVAKL-UHFFFAOYSA-N;143.23;0.57;;;;;DOPC;MDCG;27;1;"MARTINI bead: C5_P2";;;;;;;0.54;;-3.78;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM392390;MM392390;C=CC1=CC(O)C(C)=C1C;BDDRDCPJOOAMHT-UHFFFAOYSA-N;136.19;1.81;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNda_SC4";;;;;;;2.2;;0.49;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM392391;MM392391;C=NNCC(CO)C(C)N;YDWKGIREUMGHMU-UHFFFAOYSA-N;145.21;-0.85;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1_P2";;;;;;;-1.06;;-6.16;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM392392;MM392392;C=CC1=CC(C)C(F)=C1C;KADSSDSDKACACJ-UHFFFAOYSA-N;138.19;2.99;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC4_SC4";;;;;;;3.53;;0.53;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM392393;MM392393;NN=C(NN)OCCCF;MMZVYZNXZUMUSP-UHFFFAOYSA-N;150.16;-0.94;;;;;DOPC;MDCG;27;0;"MARTINI bead: P3_C5";;;;;;;-0.33;;-2.01;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM392394;MM392394;CC1=C(F)C(C)C=C1C=O;MINATRJUNCRCGR-UHFFFAOYSA-N;140.16;2;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNa_SC4";;;;;;;2.2;;0.34;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM392395;MM392395;CNC(CNC=N)C(C)C;AIPOLXGPLSUWOH-UHFFFAOYSA-N;143.23;0.43;;;;;DOPC;MDCG;27;1;"MARTINI bead: C5_P3";;;;;;;-0.33;;-5.88;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM392396;MM392396;CC1=C(F)C(C)C=C1C#N;OALCUNLSORQFAA-UHFFFAOYSA-N;137.16;2.33;;;;;DOPC;MDCG;27;0;"MARTINI bead: SN0_SC4";;;;;;;2.5;;0.44;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM392397;MM392397;COCCOC(=NN)NN;NJIZZFHNMDMORW-UHFFFAOYSA-N;148.17;-1.66;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_P3";;;;;;;-1.1;;-4.2;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM392398;MM392398;C=Cc1cn(N)c(C)c1F;KCODDPASCQENHU-UHFFFAOYSA-N;140.16;1.29;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNda_SN0";;;;;;;1.17;;-1.13;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM392399;MM392399;CC(C)C(CO)COC=O;KXNHWZXZUQDHTJ-UHFFFAOYSA-N;146.19;0.42;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_P1";;;;;;;0.81;;-0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM392400;MM392400;C=Cc1nn(N)c(C)c1F;XQPFBASGOJPFIN-UHFFFAOYSA-N;141.15;0.69;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNda_SNa";;;;;;;0.87;;-1.99;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM392401;MM392401;CCC(COC=O)C(C)N;SXLCXTOJQSXMPA-UHFFFAOYSA-N;145.2;0.53;;;;;DOPC;MDCG;27;1;"MARTINI bead: C5_P1";;;;;;;0.81;;-3.45;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM392402;MM392402;C#CC1=CC(C)C(C)=C1C;JVJXIYCLWZIVTE-UHFFFAOYSA-N;132.21;2.53;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC5_SC3";;;;;;;3.34;;0.48;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM392403;MM392403;CCC(COC=O)C(C)O;OCZHONQCEMMLGH-UHFFFAOYSA-N;146.19;0.57;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_P1";;;;;;;0.81;;-0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM392404;MM392404;C#CC1=CC(N)C(C)=C1C;XBXINUUTLFBFGO-UHFFFAOYSA-N;133.19;1.22;;;;;DOPC;MDCG;27;1;"MARTINI bead: SNd_SC5";;;;;;;1.64;;-1.78;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM392405;MM392405;C=COCC(CO)C(C)O;SNDGAMABNIRPQR-UHFFFAOYSA-N;146.19;0.14;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_Nda";;;;;;;0.04;;-2.73;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM392406;MM392406;C#CC1=CC(O)C(C)=C1C;JEGJVAXBHMNKQX-UHFFFAOYSA-N;134.18;1.26;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNda_SC5";;;;;;;1.64;;0.05;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM392407;MM392407;CCC(COC=O)C(C)F;RLIIHDYMXKUJRB-UHFFFAOYSA-N;148.18;1.54;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1_P1";;;;;;;2.08;;0.48;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM392408;MM392408;C#CC1=CC(C)C(F)=C1C;YAHYYYPJEXCZTD-UHFFFAOYSA-N;136.17;2.44;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC5_SC4";;;;;;;2.97;;0.45;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM392409;MM392409;CC(F)C(CF)COC=O;QWJBZTKWIPYSAN-UHFFFAOYSA-N;152.14;1.1;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_P1";;;;;;;0.81;;-0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM392410;MM392410;C#CC1=CC(O)C(F)=C1C;LAZAQMJYUXSIIK-UHFFFAOYSA-N;138.14;1.16;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNda_SC5";;;;;;;1.64;;0.05;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM392411;MM392411;C=NOCC(CN)C(C)C;WNVCURKSTBOGCO-UHFFFAOYSA-N;144.22;0.85;;;;;DOPC;MDCG;27;1;"MARTINI bead: C5_P1";;;;;;;0.81;;-3.21;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM392412;MM392412;C#Cc1cn(C)c(O)c1C;WGYCAHFFFCCNAW-UHFFFAOYSA-N;135.17;1.02;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNda_SN0";;;;;;;1.17;;-1.13;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM392413;MM392413;C=NOCC(CF)C(C)F;YMNFGJOOQSLEQY-UHFFFAOYSA-N;151.16;1.56;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_P1";;;;;;;0.81;;-0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM392414;MM392414;C#Cc1cn(C)c(F)c1C;GCQZXXVYROFENW-UHFFFAOYSA-N;137.16;1.45;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC5_SN0";;;;;;;1.94;;0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM392415;MM392415;C=CCNNC(=NN)OC;WWNDNYDGJYZUSV-UHFFFAOYSA-N;144.18;-0.86;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_P2";;;;;;;-1.06;;-3.82;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM392416;MM392416;C#Cc1cn(N)c(C)c1F;PTKGBFZASOMYDM-UHFFFAOYSA-N;138.15;0.63;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNd_SNa";;;;;;;0.87;;-1.88;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM392417;MM392417;CNC(COC=O)C(C)O;GMRZXEIFOJALJJ-UHFFFAOYSA-N;147.17;-0.87;;;;;DOPC;MDCG;27;1;"MARTINI bead: P2_P1";;;;;;;-1.06;;-5.36;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM392418;MM392418;C=C1C=C(CC)C(C)=C1F;XADAMQGRSUDLAU-UHFFFAOYSA-N;138.19;3.14;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC3_SC4";;;;;;;3.9;;0.47;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM392419;MM392419;C=CCNC(CC)C(C)C;ILHVIRWFVDTLBI-UHFFFAOYSA-N;141.26;2.2;;;;;DOPC;MDCG;27;1;"MARTINI bead: C5_C3";;;;;;;3.34;;0.28;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM392420;MM392420;C=CC1=CC(=C)C(C)=C1C;OBEKZEOPRCPPIE-UHFFFAOYSA-N;132.21;3.01;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC3_SC4";;;;;;;3.9;;0.47;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM392421;MM392421;CCC(NCC=O)C(C)C;DEEINVSGPSZDKM-UHFFFAOYSA-N;143.23;1.21;;;;;DOPC;MDCG;27;1;"MARTINI bead: C1_P5";;;;;;;0.93;;-2.85;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM392422;MM392422;C=C1C=C(C#N)C(C)=C1C;ZUXZVWUTQBZOFQ-UHFFFAOYSA-N;131.18;2.34;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC3_SN0";;;;;;;2.87;;0.37;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM392423;MM392423;CCC(NCC#N)C(C)C;AHWXLFNIJMWMNF-UHFFFAOYSA-N;140.23;1.53;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1_P3";;;;;;;0.94;;0.05;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM392424;MM392424;C=CCNC(CO)C(C)C;ATDOGFIHPAWEMT-UHFFFAOYSA-N;143.23;0.78;;;;;DOPC;MDCG;27;1;"MARTINI bead: C5_P1";;;;;;;0.81;;-2.64;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM392425;MM392425;C=CC1=CC(=C)C(F)=C1C;GNNPLTOGQUBOIT-UHFFFAOYSA-N;136.17;2.91;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC4_SC4";;;;;;;3.53;;0.53;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM392426;MM392426;C=CCNC(CF)C(C)C;TZAKFANVLGASMW-UHFFFAOYSA-N;145.22;1.76;;;;;DOPC;MDCG;27;1;"MARTINI bead: C2_P1";;;;;;;2;;0.04;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM392427;MM392427;C=C1C=C(C#N)C(C)=C1F;LKWOREZJAXMCAQ-UHFFFAOYSA-N;135.14;2.25;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC4_SN0";;;;;;;2.5;;0.44;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM392428;MM392428;C=CCNC(CC)C(C)N;DCXGIILRJGABHZ-UHFFFAOYSA-N;142.25;0.89;;;;;DOPC;MDCG;27;1;"MARTINI bead: C5_P1";;;;;;;0.81;;-3.04;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM392429;MM392429;C#CC1=CC(=C)C(C)=C1C;NUZWZDQOUPHRIZ-UHFFFAOYSA-N;130.19;2.45;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC3_SC5";;;;;;;3.34;;0.48;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM392430;MM392430;C=CCNC(CF)C(C)N;QQBZDDZJSMMJDR-UHFFFAOYSA-N;146.21;0.45;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nda_P1";;;;;;;0.04;;-4.89;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM392431;MM392431;C#CC1=CC(=C)C(F)=C1C;KFDBCNYOCZYPQN-UHFFFAOYSA-N;134.15;2.36;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC4_SC5";;;;;;;2.97;;0.45;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM392432;MM392432;CCC(NNC=N)C(C)C;NMUYWNUJJDJYBL-UHFFFAOYSA-N;143.23;1.12;;;;;DOPC;MDCG;27;1;"MARTINI bead: C4_P3";;;;;;;0.23;;-3.98;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM392433;MM392433;C#CC1=CC(=O)C(F)=C1C;LUNJHKGRUMKHSX-UHFFFAOYSA-N;136.13;1.37;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNa_SC5";;;;;;;1.64;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM392434;MM392434;C=COCOC(=NN)NN;CAKDBHMHANSIJR-UHFFFAOYSA-N;146.15;-1.19;;;;;DOPC;MDCG;27;0;"MARTINI bead: P3_Na";;;;;;;-1.1;;-4.2;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM392435;MM392435;CCC1=C(C)C(N)C(C)C1;VHHDYVDQXSXPMQ-UHFFFAOYSA-N;139.24;2.08;;;;;DOPC;MDCG;27;1;"MARTINI bead: SC1_SNd";;;;;;;2.91;;-0.34;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM392436;MM392436;CC(C)C(CF)NNC=N;HCXTUBQVOCTKHI-UHFFFAOYSA-N;147.2;0.68;;;;;DOPC;MDCG;27;1;"MARTINI bead: P2_Na";;;;;;;-0.24;;-6.21;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM392437;MM392437;CCC1=C(C)C(F)C(C)C1;BQRMHNGZXRUHHO-UHFFFAOYSA-N;142.22;3.09;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC1_SC5";;;;;;;3.68;;0.46;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM392438;MM392438;CC(F)C(CF)NNC=N;XRWJBJRTOMQTLA-UHFFFAOYSA-N;151.16;0.38;;;;;DOPC;MDCG;27;1;"MARTINI bead: C5_P4";;;;;;;-0.41;;-5.55;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM392439;MM392439;CC1=C(CN)CN(C)C1C;IFQFVBAVOURKIY-UHFFFAOYSA-N;140.23;0.6;;;;;DOPC;MDCG;27;1;"MARTINI bead: SNd_SP2";;;;;;;-0.24;;-5.46;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM392440;MM392440;CCC(NNC=O)C(F)F;XHHAPOBKCKMXFG-UHFFFAOYSA-N;152.14;0.28;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4_P4";;;;;;;0.15;;-2.18;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM392441;MM392441;C=CC1=C(C)C(C)C(C)C1;LWZQLRPVYZXLPP-UHFFFAOYSA-N;136.24;3.16;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC3_SC4";;;;;;;3.9;;0.47;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM392442;MM392442;C=CCOC(CN)C(C)C;PLBCVWVQFJBIII-UHFFFAOYSA-N;143.23;1.17;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1_C4";;;;;;;1.37;;-2.01;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM392443;MM392443;C=CC1=C(C)C(N)C(C)C1;WUXIMEPBSYNUJK-UHFFFAOYSA-N;137.23;1.86;;;;;DOPC;MDCG;27;1;"MARTINI bead: SC3_SNd";;;;;;;2.57;;-1.26;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM392444;MM392444;C=CCOC(CN)C(C)O;NUIKTMPEMSJKDW-UHFFFAOYSA-N;145.2;-0.1;;;;;DOPC;MDCG;27;1;"MARTINI bead: P2_Na";;;;;;;-0.24;;-4.93;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM392445;MM392445;C=CC1=C(C)C(F)C(C)C1;LDFCBYIYEHVEOT-UHFFFAOYSA-N;140.2;2.87;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC3_SC5";;;;;;;3.34;;0.48;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM392446;MM392446;C=CCOC(CO)C(C)O;MANZFMNOOAUWHL-UHFFFAOYSA-N;146.19;-0.07;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_Na";;;;;;;-0.24;;-3.24;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM392447;MM392447;CC1=C(C#N)CC(C)N1C;MZFGWEVEWBFDAK-UHFFFAOYSA-N;136.2;1.51;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP1_SNd";;;;;;;0.04;;-2.63;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM392448;MM392448;CC(O)C(CO)OCC#N;CSABFXBMQWBPMB-UHFFFAOYSA-N;145.16;-0.73;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_P2";;;;;;;-1.06;;-3.82;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM392449;MM392449;C#CC1=C(C)C(N)C(C)C1;IMFHNVNQDIQPOF-UHFFFAOYSA-N;135.21;1.3;;;;;DOPC;MDCG;27;1;"MARTINI bead: SC5_SNd";;;;;;;1.64;;-2.42;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM392450;MM392450;C=CCOC(CO)C(C)F;PFTNZEQROPUJPB-UHFFFAOYSA-N;148.18;0.91;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda_Na";;;;;;;0.87;;-1.99;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM392451;MM392451;N=c1cnn(C=NN)nn1;SDOFJFLFJZZVDA-UHFFFAOYSA-N;139.12;-2.1;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP2_SP4";;;;;;;-2.29;;-5.95;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM392452;MM392452;CC(F)C(CO)OCC=O;LHTYXMHBNPJTLB-UHFFFAOYSA-N;150.15;-0.08;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda_P2";;;;;;;-0.24;;-3.31;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM392453;MM392453;C#CC1=C(C)C(F)C(C)C1;GDBHKUWGDGUSGF-UHFFFAOYSA-N;138.19;2.31;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC5_SC5";;;;;;;2.41;;0.64;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM392454;MM392454;C=CCOC(CO)C(F)F;DHPQUNOOOSSYFO-UHFFFAOYSA-N;152.14;0.82;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_N0";;;;;;;0.34;;-1.53;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM392455;MM392455;C=C1CC(CC)=C(C)C1C;WGNDRNXSKHTXFN-UHFFFAOYSA-N;136.24;3.31;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC1_SC4";;;;;;;4.24;;0.42;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM392456;MM392456;C=CCOC(OC)C(C)O;HJQVNNBJHRTHKE-UHFFFAOYSA-N;146.19;0.54;;;;;DOPC;MDCG;27;0;"MARTINI bead: P3_C4";;;;;;;0.23;;-1.03;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM392457;MM392457;NN=Cn1ncc(=O)nn1;MIMLBCXHWAOYDJ-UHFFFAOYSA-N;140.11;-2.22;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP2_SP3";;;;;;;-2.2;;-5.19;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM392458;MM392458;COC(OCC=O)C(C)O;SFYAKRLTMGVAQP-UHFFFAOYSA-N;148.16;-0.44;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_P1";;;;;;;-0.79;;-3.13;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM392459;MM392459;C=C1CC(CF)=C(C)C1N;JQESOKZIGPEFPX-UHFFFAOYSA-N;141.19;1.56;;;;;DOPC;MDCG;27;1;"MARTINI bead: SC4_SNd";;;;;;;2.2;;-1.4;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM392460;MM392460;COC(OCC#N)C(F)F;HBYIEDCTIWWBJM-UHFFFAOYSA-N;151.11;0.76;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_N0";;;;;;;1.17;;-1.18;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM392461;MM392461;C=C1CC(CO)=C(C)C1O;KZWFCLNIBKHLJY-UHFFFAOYSA-N;140.18;0.62;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNda_SNda";;;;;;;0.87;;-2.07;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM392462;MM392462;CCC(ONC=N)C(C)C;LWTNKBTVYXHUGW-UHFFFAOYSA-N;144.22;1.55;;;;;DOPC;MDCG;27;1;"MARTINI bead: C1_P4";;;;;;;0.85;;-2.31;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM392463;MM392463;C=C1CC(CO)=C(C)C1F;SLJIVQFQOIDPPX-UHFFFAOYSA-N;142.17;1.59;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNda_SC5";;;;;;;1.64;;0.05;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM392464;MM392464;CCC(ONC=O)C(C)C;VMVWXNPOEPNCTD-UHFFFAOYSA-N;145.2;1.1;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1_P4";;;;;;;0.85;;-0.64;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM392465;MM392465;CC1=C(CN)NC(=N)C1N;CQLCDUXOYRLZRN-UHFFFAOYSA-N;140.19;-0.87;;;;;DOPC;MDCG;27;1;"MARTINI bead: SP2_SP3";;;;;;;-2.2;;-7.16;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM392466;MM392466;CC(C)C(CN)ONC=N;QLJJZUJXBILAQB-UHFFFAOYSA-N;145.21;0.1;;;;;DOPC;MDCG;27;1;"MARTINI bead: C5_P4";;;;;;;-0.41;;-4.57;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM392467;MM392467;CC1=C(CN)NC(=O)C1N;XHYWQGCUFMZYEJ-UHFFFAOYSA-N;141.17;-1.32;;;;;DOPC;MDCG;27;1;"MARTINI bead: SP2_SP3";;;;;;;-2.2;;-6.43;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM392468;MM392468;CCC(ONC=O)C(C)O;SDPFWIWJMOEETQ-UHFFFAOYSA-N;147.17;-0.18;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_P4";;;;;;;-0.41;;-2.78;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM392469;MM392469;CC1=C(CO)CC(=N)N1N;ZILOWAARCSUYAH-UHFFFAOYSA-N;141.17;-0.19;;;;;DOPC;MDCG;27;1;"MARTINI bead: SP1_SP1";;;;;;;-0.79;;-5.31;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM392470;MM392470;N=CNOC(CN)C(F)F;DMGLLJWYKYQHPV-UHFFFAOYSA-N;153.13;-0.29;;;;;DOPC;MDCG;27;1;"MARTINI bead: P4_N0";;;;;;;-0.88;;-5.49;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM392471;MM392471;CC1=C(CO)CC(=O)N1N;WSRHGZKXLNUAEM-UHFFFAOYSA-N;142.16;-0.64;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP1_SP2";;;;;;;-1.06;;-3.82;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM392472;MM392472;COC(ONC=O)C(C)F;KRCLKNRSQPCJHL-UHFFFAOYSA-N;151.14;-0.01;;;;;DOPC;MDCG;27;0;"MARTINI bead: P3_C5";;;;;;;-0.33;;-2.01;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM392473;MM392473;Cn1c(N)c(CO)[nH]c1=N;UUOGOXFLXBZRDD-UHFFFAOYSA-N;142.16;-1.09;;;;;DOPC;MDCG;27;1;"MARTINI bead: SP3_SP2";;;;;;;-2.2;;-8.82;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM392474;MM392474;COC(ONC=N)C(F)F;GHGUZMYESHPWAA-UHFFFAOYSA-N;154.12;0.35;;;;;DOPC;MDCG;27;1;"MARTINI bead: P2_N0";;;;;;;0.06;;-3.68;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM392475;MM392475;CNN=C(N)C(=O)C(=O)O;SMAZFGIFODBCHP-UHFFFAOYSA-N;145.12;-1.87;;;;;DOPC;MDCG;27;0;"MARTINI bead: P3_P2";;;;;;;-2.2;;-9.32;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM392476;MM392476;CCC(CCC#N)N(C)C;KYUVVXYATPYJHT-UHFFFAOYSA-N;140.23;1.63;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1_C5";;;;;;;0.81;;-2.27;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM392477;MM392477;C=NN(C)CC(=O)C(=O)O;QNTRIZRGPRNKHM-UHFFFAOYSA-N;144.13;-0.81;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_P2";;;;;;;-1.06;;-8.23;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM392478;MM392478;CCC(CNC=N)N(C)C;ZTCLBOFOELSVDJ-UHFFFAOYSA-N;143.23;0.52;;;;;DOPC;MDCG;27;1;"MARTINI bead: C5_P3";;;;;;;-0.33;;-5.88;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM392479;MM392479;CN(C)C(CN)CNC=O;PNLCDUBLZUXDTG-UHFFFAOYSA-N;145.21;-1.38;;;;;DOPC;MDCG;27;1;"MARTINI bead: P2_P3";;;;;;;-2.2;;-6.78;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM392480;MM392480;CNc1[nH]c(=O)n(C)c1O;LVSZBYSSGMFMNG-UHFFFAOYSA-N;143.15;-0.54;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNd_SP3";;;;;;;-1.1;;-3.93;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM392481;MM392481;CN(C)C(CO)CNC=N;LUSRYFHEFSWAKQ-UHFFFAOYSA-N;145.21;-0.89;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1_P3";;;;;;;-1.93;;-8.49;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM392482;MM392482;CNc1[nH]c(=N)n(N)c1O;FQAMULCJDKYUQZ-UHFFFAOYSA-N;143.15;-1.24;;;;;DOPC;MDCG;27;1;"MARTINI bead: SNd_SP3";;;;;;;-1.1;;-6.44;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM392483;MM392483;C=NNCC(CF)N(C)C;PYYOXSQZVNAVMT-UHFFFAOYSA-N;147.2;0.09;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda_P1";;;;;;;0.04;;-2.73;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM392484;MM392484;CCc1oc(=N)n(C)c1C;HBQDZFVUMZBQGS-UHFFFAOYSA-N;140.19;0.97;;;;;DOPC;MDCG;27;1;"MARTINI bead: SN0_SP1";;;;;;;0.34;;-2.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM392485;MM392485;CCC(COC=O)N(C)C;QDWDPDTXPKCTAF-UHFFFAOYSA-N;145.2;0.5;;;;;DOPC;MDCG;27;1;"MARTINI bead: C5_P1";;;;;;;0.81;;-2.03;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM392486;MM392486;Cc1c(CN)oc(=N)n1C;NGGFHBRMUASJHD-UHFFFAOYSA-N;141.17;-0.14;;;;;DOPC;MDCG;27;1;"MARTINI bead: SP2_SP1";;;;;;;-1.06;;-5.12;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM392487;MM392487;C=NOCC(CN)N(C)C;HTLUMZJFDMXHHD-UHFFFAOYSA-N;145.21;-0.49;;;;;DOPC;MDCG;27;1;"MARTINI bead: P2_P1";;;;;;;-1.06;;-5.73;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM392488;MM392488;Cc1c(CO)oc(=N)n1C;IWTLEDRTNTVKNO-UHFFFAOYSA-N;142.16;-0.1;;;;;DOPC;MDCG;27;1;"MARTINI bead: SP1_SP1";;;;;;;-0.79;;-4.23;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM392489;MM392489;C#CCCC(CN)C(C)C;SSEBXDXEZVVQIU-UHFFFAOYSA-N;139.24;1.63;;;;;DOPC;MDCG;27;1;"MARTINI bead: C5_C5";;;;;;;2.41;;-0.49;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM392490;MM392490;Cc1c(CF)oc(=N)n1C;FTNQGNHQJUEUJV-UHFFFAOYSA-N;144.15;0.88;;;;;DOPC;MDCG;27;1;"MARTINI bead: SNa_SP1";;;;;;;0.04;;-3.58;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM392491;MM392491;C#CCCC(CN)C(C)N;BPNGEJUGLGGLDL-UHFFFAOYSA-N;140.23;0.32;;;;;DOPC;MDCG;27;1;"MARTINI bead: P2_N0";;;;;;;0.06;;-5.09;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM392492;MM392492;C=CCc1cc(NC)c[nH]1;WBNKBVOKFLXWQP-UHFFFAOYSA-N;136.2;1.78;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNd_SC5";;;;;;;1.64;;0.02;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM392493;MM392493;C#CCCC(NC)C(C)N;GCLWHMCTCDCIDV-UHFFFAOYSA-N;140.23;0.34;;;;;DOPC;MDCG;27;1;"MARTINI bead: P2_N0";;;;;;;0.06;;-5.14;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM392494;MM392494;C=c1oc(=C)n(N)c1=NN;MRBSJBOWRXQTRT-UHFFFAOYSA-N;140.15;-2.61;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP1_SP1";;;;;;;-0.79;;-3.13;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM392495;MM392495;C#CCCC(OC)C(C)O;NVLZBRNHKTYCQB-UHFFFAOYSA-N;142.2;0.8;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_C5";;;;;;;0.81;;-0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM392496;MM392496;NC(=CC(=O)O)OC=NO;KKULWCDDXGSMIC-UHFFFAOYSA-N;146.1;-0.69;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_P1";;;;;;;-0.79;;-7.63;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM392497;MM392497;C#CCNC(CN)C(C)C;UXFGUXPDIGBVBJ-UHFFFAOYSA-N;140.23;0.19;;;;;DOPC;MDCG;27;1;"MARTINI bead: P2_N0";;;;;;;0.06;;-4.39;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM392498;MM392498;CCc1oc(=N)n(C)c1N;AJQYQNZOIWLOHO-UHFFFAOYSA-N;141.17;0.24;;;;;DOPC;MDCG;27;1;"MARTINI bead: SN0_SP3";;;;;;;-0.8;;-5.78;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM392499;MM392499;C#CCNC(CO)C(C)C;SPDWOPDTIYAZPC-UHFFFAOYSA-N;141.21;0.23;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1_N0";;;;;;;0.34;;-3.15;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM392500;MM392500;Cn1c(N)c(CN)oc1=N;OFIGJJMUWNVKBP-UHFFFAOYSA-N;142.16;-0.86;;;;;DOPC;MDCG;27;1;"MARTINI bead: SP3_SP2";;;;;;;-2.2;;-7.87;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM392501;MM392501;C#CCNC(CC)C(C)N;VYLNULXJNDPESM-UHFFFAOYSA-N;140.23;0.34;;;;;DOPC;MDCG;27;1;"MARTINI bead: C5_P2";;;;;;;0.54;;-3.43;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM392502;MM392502;Cn1c(N)c(CO)oc1=N;CZQIGZQSMKIIPZ-UHFFFAOYSA-N;143.15;-0.83;;;;;DOPC;MDCG;27;1;"MARTINI bead: SP3_SP1";;;;;;;-1.93;;-7.29;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM392503;MM392503;C#CCNC(CF)C(C)N;SVXBJFDPXDNVJQ-UHFFFAOYSA-N;144.19;-0.11;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nda_P2";;;;;;;-0.24;;-5.46;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM392504;MM392504;Cn1c(N)c(CF)oc1=N;RDFMQDOCTDEJDU-UHFFFAOYSA-N;145.14;0.15;;;;;DOPC;MDCG;27;1;"MARTINI bead: SP3_SNa";;;;;;;-1.1;;-6.73;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM392505;MM392505;C#CCNC(CC)C(C)O;BCRXEGNVONZQJE-UHFFFAOYSA-N;141.21;0.37;;;;;DOPC;MDCG;27;1;"MARTINI bead: C5_P2";;;;;;;0.54;;-2.7;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM392506;MM392506;CCc1oc(=O)n(C)c1N;XBQHRLXKMDYTPJ-UHFFFAOYSA-N;142.16;0.12;;;;;DOPC;MDCG;27;0;"MARTINI bead: SN0_SP3";;;;;;;-0.8;;-2.99;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM392507;MM392507;C#CCOC(CO)C(C)N;KVIOQPDYFVUGGD-UHFFFAOYSA-N;143.19;-0.66;;;;;DOPC;MDCG;27;1;"MARTINI bead: P3_N0";;;;;;;-0.8;;-4.91;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM392508;MM392508;Cn1c(N)c(CF)oc1=O;FUAMSZIFTZPFPP-UHFFFAOYSA-N;146.12;0.03;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP3_SNa";;;;;;;-1.1;;-4.2;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM392509;MM392509;C#CCOC(CO)C(F)F;RVFFSCZXCLAQNA-UHFFFAOYSA-N;150.12;0.26;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_N0";;;;;;;0.34;;-1.53;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM392510;MM392510;CCc1oc(=N)n(N)c1N;BWQIPANEBNRJAG-UHFFFAOYSA-N;142.16;-0.58;;;;;DOPC;MDCG;27;1;"MARTINI bead: SN0_SP3";;;;;;;-0.8;;-3.99;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM392511;MM392511;C=CC(CCCC)C(C)C;MTUSYINHNJFEEX-UHFFFAOYSA-N;140.27;3.63;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1_C3";;;;;;;4.61;;0.31;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM392512;MM392512;CCc1oc(=O)n(N)c1N;LJVSCYOUZOHDGB-UHFFFAOYSA-N;143.15;-0.7;;;;;DOPC;MDCG;27;0;"MARTINI bead: SN0_SP3";;;;;;;-0.8;;-2.99;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM392513;MM392513;C=CC(CCCN)C(C)C;XJKJUGOCOZEBNI-UHFFFAOYSA-N;141.26;2.18;;;;;DOPC;MDCG;27;1;"MARTINI bead: C1_Nd";;;;;;;2.91;;-0.55;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM392514;MM392514;Cn1cc(F)c(=NN)n1C;AVJBUPKDHPXWGA-UHFFFAOYSA-N;144.15;-0.72;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNa_SP2";;;;;;;-0.24;;-3.24;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM392515;MM392515;C=CC(CCCF)C(C)C;FSCMTDZETPXOBO-UHFFFAOYSA-N;144.23;3.19;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1_C5";;;;;;;3.68;;0.46;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM392516;MM392516;Nc1c(CF)oc(=O)n1N;VMLOOZPZAOKLID-UHFFFAOYSA-N;147.11;-0.79;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNa_SP3";;;;;;;-1.1;;-4.2;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM392517;MM392517;CCCCC(C=O)C(C)C;OGDMZPMAVHIUPM-UHFFFAOYSA-N;142.24;2.65;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1_C5";;;;;;;3.68;;0.46;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM392518;MM392518;O=C(O)c1coc(=O)o1;IUHCODXHBPGXCT-UHFFFAOYSA-N;130.06;-0.07;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_SP1";;;;;;;-0.79;;-7.64;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM392519;MM392519;NN=C(NN)OCOC=O;DFQUTWDRLLXOMS-UHFFFAOYSA-N;148.12;-2.17;;;;;DOPC;MDCG;27;0;"MARTINI bead: P3_P1";;;;;;;-1.93;;-4.72;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM392520;MM392520;C#CCCNC(=O)C(=O)O;RIHLHCNUAPQHQW-UHFFFAOYSA-N;141.13;-0.79;;;;;DOPC;MDCG;27;0;"MARTINI bead: P3_C5";;;;;;;-0.33;;-6.04;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM392521;MM392521;CC(C)C(C=O)CCCF;OYKBLAAVLXFWHI-UHFFFAOYSA-N;146.21;2.21;;;;;DOPC;MDCG;27;0;"MARTINI bead: C3_Na";;;;;;;2.57;;0.45;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM392522;MM392522;N#CCCOCCC(=O)O;SEOLSBRTLWFREZ-UHFFFAOYSA-N;143.14;0.39;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda_P2";;;;;;;-0.24;;-7.72;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM392523;MM392523;CC(C)C(C#N)CCCF;XVFUSXAHKQKJOH-UHFFFAOYSA-N;143.21;2.53;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_C4";;;;;;;2.97;;0.45;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM392524;MM392524;OC=C1C=C(O)N=N1;NPBAZFRMAVAROL-UHFFFAOYSA-N;112.09;1.25;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNda_SNda";;;;;;;0.87;;-6.59;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM392525;MM392525;C=CC(CCCF)C(C)N;RJSNYZNQXWQDEK-UHFFFAOYSA-N;145.22;1.89;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_C5";;;;;;;1.64;;-2.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM392526;MM392526;C#CC(F)(CO)C(=O)O;AZQYAUOJVYFJRG-UHFFFAOYSA-N;132.09;-0.6;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_P1";;;;;;;-0.79;;-7.64;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM392527;MM392527;C#CCNNC(=NN)OC;KSBDNYKVFIMLQS-UHFFFAOYSA-N;142.16;-1.41;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_P2";;;;;;;-1.34;;-4.31;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM392528;MM392528;O=c1cc(O)oc(CO)n1;IBPMPKWLLFDIPX-UHFFFAOYSA-N;143.1;-0.77;;;;;DOPC;MDCG;27;0;"MARTINI bead: P3_SP3";;;;;;;-3.07;;-10.1;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM392529;MM392529;CCCCC(C=O)C(C)O;ADCZEDIFXNLRHV-UHFFFAOYSA-N;144.21;1.37;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1_P1";;;;;;;2.08;;0.48;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM392530;MM392530;N#CCC(O)C(C#N)=NO;ABENDQXMCRHPGF-UHFFFAOYSA-N;139.11;-0.39;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_P2";;;;;;;-1.34;;-8.74;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM392531;MM392531;C=CC(CCCF)C(C)F;WLVJSHHJWMXGCZ-UHFFFAOYSA-N;148.2;2.9;;;;;DOPC;MDCG;27;0;"MARTINI bead: C3_C4";;;;;;;3.9;;0.47;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM392532;MM392532;C=C(C#CC(=O)O)CCO;UANWEMGXYMQPBG-UHFFFAOYSA-N;140.14;0.01;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_N0";;;;;;;0.34;;-6.03;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM392533;MM392533;CCCCC(C=O)C(C)F;AUKGAYDACIGGCE-UHFFFAOYSA-N;146.21;2.35;;;;;DOPC;MDCG;27;0;"MARTINI bead: C2_C5";;;;;;;3.6;;0.34;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM392534;MM392534;Oc1oncc1F;SLFWCQVVNSRGAD-UHFFFAOYSA-N;103.05;0.52;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNda_SNa";;;;;;;0.87;;-6.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM392535;MM392535;CC(F)C(C=O)CCCF;IJZGNQCZPBXVNS-UHFFFAOYSA-N;150.17;1.91;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_Na";;;;;;;1.64;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM392536;MM392536;ON=c1[nH]c(O)c(F)o1;YJUCZUQDCSUJQW-UHFFFAOYSA-N;134.07;-0.26;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP2_SNda";;;;;;;-0.24;;-7.72;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM392537;MM392537;C=CC(CCNC)C(C)C;AYCGLMWFENBKNW-UHFFFAOYSA-N;141.26;2.05;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_C1";;;;;;;2.91;;-0.88;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM392538;MM392538;CCc1oc(=N)n(C)c1F;JMVGVDYMEVAHES-UHFFFAOYSA-N;144.15;0.8;;;;;DOPC;MDCG;27;0;"MARTINI bead: SN0_SP1";;;;;;;0.34;;-1.53;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM392539;MM392539;CNCCC(C=O)C(C)C;PIUCAXIMDFXNRO-UHFFFAOYSA-N;143.23;1.07;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1_C4";;;;;;;1.37;;-2.78;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM392540;MM392540;Cn1c(=NN)c(F)cn1N;ULOWDFOFPIEJMD-UHFFFAOYSA-N;145.14;-1.55;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP1_SP2";;;;;;;-1.06;;-3.82;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM392541;MM392541;C=CC(CCNC)C(C)F;LHODBVIUIGOMEF-UHFFFAOYSA-N;145.22;1.76;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1_C3";;;;;;;1.74;;-2.45;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM392542;MM392542;Cn1c(F)c(CF)oc1=N;KWANCGRPKDOLNS-UHFFFAOYSA-N;148.11;0.71;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP1_SNa";;;;;;;0.04;;-2.54;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM392543;MM392543;C=CC(CCNC)C(F)F;ODFANWMMJHQXTF-UHFFFAOYSA-N;149.18;1.66;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1_C4";;;;;;;1.37;;-3.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM392544;MM392544;CCc1oc(=O)n(C)c1F;MXDOIXJCYQMQSH-UHFFFAOYSA-N;145.13;0.68;;;;;DOPC;MDCG;27;0;"MARTINI bead: SN0_SP1";;;;;;;0.34;;-1.53;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM392545;MM392545;COCCC(C=O)C(C)C;JROXRBKHSPDTCI-UHFFFAOYSA-N;144.21;1.49;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_C5";;;;;;;1.64;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM392546;MM392546;Cn1c(F)c(CO)oc1=O;CKYMGCQDVMBCIJ-UHFFFAOYSA-N;147.11;-0.39;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP1_SP1";;;;;;;-0.79;;-3.13;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM392547;MM392547;COCCC(C=O)C(C)F;WXHNWICTTOAPHA-UHFFFAOYSA-N;148.18;1.2;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_Na";;;;;;;0.87;;-2.22;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM392548;MM392548;Cn1c(F)c(CF)oc1=O;NHCZHGUNDLTELT-UHFFFAOYSA-N;149.1;0.59;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP1_SNa";;;;;;;0.04;;-2.54;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM392549;MM392549;C=CC(CNCC)C(C)C;OESOHNZFEHHEBB-UHFFFAOYSA-N;141.26;2.05;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_C1";;;;;;;2.91;;-0.98;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM392550;MM392550;CCc1oc(=N)n(N)c1F;OKBODYWMEGOCCH-UHFFFAOYSA-N;145.14;-0.02;;;;;DOPC;MDCG;27;0;"MARTINI bead: SN0_SP2";;;;;;;0.06;;-2.21;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM392551;MM392551;CCNCC(C=O)C(C)C;KIKCLFVPOTXMGP-UHFFFAOYSA-N;143.23;1.07;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_C5";;;;;;;1.64;;-2.54;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM392552;MM392552;Cc1nn(C)n(N)c1=NN;OYNKHCXGRAIXAM-UHFFFAOYSA-N;142.17;-1.98;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP3_SP2";;;;;;;-2.2;;-5.19;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM392553;MM392553;C=CC(CNCC)C(C)O;NKERUUYODLWQIZ-UHFFFAOYSA-N;143.23;0.78;;;;;DOPC;MDCG;27;1;"MARTINI bead: C5_P1";;;;;;;0.81;;-3.23;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM392554;MM392554;N=c1oc(CF)c(F)n1N;KCUAVWLNKJCSTH-UHFFFAOYSA-N;149.1;-0.12;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP2_SNa";;;;;;;-0.24;;-3.24;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM392555;MM392555;C=CC(CNCC)C(C)F;FYXJIMWQJSJOBX-UHFFFAOYSA-N;145.22;1.76;;;;;DOPC;MDCG;27;1;"MARTINI bead: C5_C5";;;;;;;2.41;;-0.58;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM392556;MM392556;CCc1oc(=O)n(N)c1F;INBBDQASYDGFJS-UHFFFAOYSA-N;146.12;-0.14;;;;;DOPC;MDCG;27;0;"MARTINI bead: SN0_SP2";;;;;;;0.06;;-2.21;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM392557;MM392557;C=CC(CNCC)C(F)F;XACIHXBGOWDDEB-UHFFFAOYSA-N;149.18;1.66;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_C5";;;;;;;1.64;;-2.38;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM392558;MM392558;Cc1c(F)on(N)c1=NN;XYJWIHZUKVVOOP-UHFFFAOYSA-N;146.13;-0.98;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNa_SP2";;;;;;;-0.24;;-3.24;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM392559;MM392559;C=CC(COCC)C(C)C;HEAFYHRQFQJLLL-UHFFFAOYSA-N;142.24;2.48;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_C1";;;;;;;2.91;;0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM392560;MM392560;Nn1c(F)c(CF)oc1=O;QGWGQNHTSNYEGJ-UHFFFAOYSA-N;150.08;-0.24;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP2_SNa";;;;;;;-0.24;;-3.24;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM392561;MM392561;C=CC(COCC)C(C)N;IVNUFQRKARSUOS-UHFFFAOYSA-N;143.23;1.17;;;;;DOPC;MDCG;27;1;"MARTINI bead: Na_Nd";;;;;;;0.87;;-4.82;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM392562;MM392562;Cn1oc(N)c(N)c1=NN;VMPXFMKHIVNEAI-UHFFFAOYSA-N;143.15;-1.44;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP1_SP1";;;;;;;-0.79;;-3.13;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM392563;MM392563;C=CC(NCCF)C(C)C;URVWLGNMYMJETC-UHFFFAOYSA-N;145.22;1.76;;;;;DOPC;MDCG;27;1;"MARTINI bead: C1_P2";;;;;;;1.8;;-0.17;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM392564;MM392564;Cc1on(N)c(=NN)c1N;WKUUDQAWHHCPNY-UHFFFAOYSA-N;143.15;-1.54;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNd_SP2";;;;;;;-0.24;;-3.16;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM392565;MM392565;CCCNC(C=O)C(C)C;MYKLAJGDNKCCNE-UHFFFAOYSA-N;143.23;1.21;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_C5";;;;;;;1.64;;-1.54;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM392566;MM392566;CNc1cc(=NN)n(N)o1;ZMRVUXBJFHIGTA-UHFFFAOYSA-N;143.15;-1.39;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNd_SP2";;;;;;;-0.24;;-3.16;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM392567;MM392567;CCCNC(C#N)C(C)C;HQKLCGHGRDTJCW-UHFFFAOYSA-N;140.23;1.53;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_C3";;;;;;;1.74;;0.33;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM392568;MM392568;CCn1nnc(O)c1F;YZLQLDLYILPDAM-UHFFFAOYSA-N;131.11;0.14;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNa_SP2";;;;;;;-0.24;;-7.68;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM392569;MM392569;CC(C)C(C#N)NCCF;VIMPSGFDPJEWJH-UHFFFAOYSA-N;144.19;1.09;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_P2";;;;;;;0.54;;-1.09;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM392570;MM392570;C=CC(NCCO)C(C)N;HPBMCOSCTAJANK-UHFFFAOYSA-N;144.22;-0.53;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1_P1";;;;;;;-0.79;;-5.41;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM392571;MM392571;NC(=NC=C(F)F)C(=O)O;NHSPQSJJWXLTLT-UHFFFAOYSA-N;150.08;0.17;;;;;DOPC;MDCG;27;0;"MARTINI bead: P3_C4";;;;;;;0.23;;-5.31;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM392572;MM392572;C=CC(NCCF)C(C)N;ZKVDRMVCPHUOBA-UHFFFAOYSA-N;146.21;0.45;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_P2";;;;;;;-0.24;;-5.35;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM392573;MM392573;C#Cc1nc(=N)onc1O;WYIGIFQMEJHLQP-UHFFFAOYSA-N;137.1;-0.76;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP3_SP3";;;;;;;-3.07;;-10.1;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM392574;MM392574;C=CC(NCCN)C(C)F;PNWYNAYKTABFKK-UHFFFAOYSA-N;146.21;0.45;;;;;DOPC;MDCG;27;1;"MARTINI bead: P2_N0";;;;;;;0.06;;-4.2;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM392575;MM392575;CNc1oc(=N)n(C)c1N;VYOAEZVQUAZCLV-UHFFFAOYSA-N;142.16;-0.28;;;;;DOPC;MDCG;27;1;"MARTINI bead: SNd_SP3";;;;;;;-1.1;;-6.79;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM392576;MM392576;NN=CCOC(=NN)NN;CDEVGUNMTUQRJZ-UHFFFAOYSA-N;146.15;-2.36;;;;;DOPC;MDCG;27;0;"MARTINI bead: P3_Nd";;;;;;;-1.1;;-3.93;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM392577;MM392577;CNc1oc(=O)n(C)c1N;FVBRYOOTDXAKKG-UHFFFAOYSA-N;143.15;-0.4;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNd_SP3";;;;;;;-1.1;;-3.93;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM392578;MM392578;CC(F)C(C#N)NCCF;KMSIUCHOWOBOJX-UHFFFAOYSA-N;148.16;0.8;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_P2";;;;;;;0.54;;-1.09;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM392579;MM392579;CCn1ncc(=NN)n1N;AYELFJWIQGJPIL-UHFFFAOYSA-N;142.17;-1.81;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP3_SP3";;;;;;;-3.07;;-6.15;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM392580;MM392580;C=CC(OCCN)C(C)C;NRSOXHLFFJMDHF-UHFFFAOYSA-N;143.23;1.17;;;;;DOPC;MDCG;27;1;"MARTINI bead: C1_P3";;;;;;;0.94;;-1.82;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM392581;MM392581;C=Cn1ncc(=NN)n1N;XMJVBOAITJPGQA-UHFFFAOYSA-N;140.15;-1.73;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP3_SP3";;;;;;;-3.07;;-6.15;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM392582;MM392582;C=CC(OCCF)C(C)C;UJFHSNQLWBWNSG-UHFFFAOYSA-N;146.21;2.18;;;;;DOPC;MDCG;27;0;"MARTINI bead: C3_Na";;;;;;;2.57;;0.45;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM392583;MM392583;CNc1oc(=N)n(O)c1O;VZOQVULRAGAVBV-UHFFFAOYSA-N;145.12;-0.45;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNd_SP2";;;;;;;-0.24;;-3.16;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM392584;MM392584;CC(C)C(C=O)OCCF;FLQBSVPOMCOCEC-UHFFFAOYSA-N;148.18;1.2;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_P2";;;;;;;0.54;;-1.09;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM392585;MM392585;N=Cn1ncc(=NN)n1N;IILCEKLIKNOLQZ-UHFFFAOYSA-N;141.14;-2.37;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP3_SP3";;;;;;;-3.07;;-6.15;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM392586;MM392586;C=CC(OCCN)C(C)N;KZTLBBQBOJKOFE-UHFFFAOYSA-N;144.22;-0.14;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_P3";;;;;;;-1.1;;-6.38;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM392587;MM392587;CNc1oc(=O)n(C)c1F;RZBSPVREHSZTOI-UHFFFAOYSA-N;146.12;0.16;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNd_SP1";;;;;;;0.04;;-2.63;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM392588;MM392588;CC(O)C(C#N)OCCO;XRIMGVXELDDNJO-UHFFFAOYSA-N;145.16;-0.73;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_P2";;;;;;;-1.06;;-3.82;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM392589;MM392589;NN=c1cnn(C=O)n1N;AFDYVBJMUDJNKY-UHFFFAOYSA-N;142.12;-2.79;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP3_SP4";;;;;;;-3.15;;-6.87;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM392590;MM392590;CC(O)C(C#N)OCCF;VNDFRHQMGNPYJN-UHFFFAOYSA-N;147.15;0.25;;;;;DOPC;MDCG;27;0;"MARTINI bead: P3_C5";;;;;;;-0.33;;-2.01;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM392591;MM392591;C#Cc1c[nH]c(N=N)c1N;LHSXVBLIPUVHAK-UHFFFAOYSA-N;134.14;1.24;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNd_SP1";;;;;;;0.04;;-2.63;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM392592;MM392592;C=CC(OCCO)C(C)F;CXEKRRVBJLDURM-UHFFFAOYSA-N;148.18;0.91;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_P1";;;;;;;0.81;;-0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM392593;MM392593;CCOC=NNCC=NN;BSPSBGSXRRDUQM-UHFFFAOYSA-N;144.18;-0.5;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda_P1";;;;;;;0.04;;-2.73;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM392594;MM392594;COCOC(C#N)C(C)C;KEHNCWWTMHWZQJ-UHFFFAOYSA-N;143.19;1.16;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_C5";;;;;;;0.54;;-1.09;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM392595;MM392595;Nn1nc(O)c(F)nc1=O;PPXAOYLGKVJFFA-UHFFFAOYSA-N;146.08;-1.8;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP3_SP1";;;;;;;-1.93;;-8.82;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM392596;MM392596;C=CC(OCOC)C(C)N;GAPMLQUVRAKSKH-UHFFFAOYSA-N;145.2;0.51;;;;;DOPC;MDCG;27;1;"MARTINI bead: P2_Nd";;;;;;;-0.24;;-5.42;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM392597;MM392597;Nn1c(O)noc(=O)c1=O;SWTMAIPFWWCLIA-UHFFFAOYSA-N;145.07;-2.38;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP3_SP3";;;;;;;-3.07;;-10.1;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM392598;MM392598;C=CC(OCOC)C(C)O;JQWXONRMUOALJC-UHFFFAOYSA-N;146.19;0.54;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_P1";;;;;;;0.04;;-2.54;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM392599;MM392599;COc1oc(=N)n(C)c1N;PRAXIGNKPMGEMR-UHFFFAOYSA-N;143.15;-0.31;;;;;DOPC;MDCG;27;1;"MARTINI bead: SNa_SP3";;;;;;;-1.1;;-5.88;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM392600;MM392600;COCOC(C#N)C(F)F;UJHRCLQQCBFBHV-UHFFFAOYSA-N;151.11;0.76;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_N0";;;;;;;1.17;;-1.18;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM392601;MM392601;COc1oc(=O)n(C)c1N;ULIWTQYRBCSCBU-UHFFFAOYSA-N;144.13;-0.43;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNa_SP3";;;;;;;-1.1;;-4.2;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM392602;MM392602;C=CC(CCCF)N(C)C;LLXLUUGUHIGWRW-UHFFFAOYSA-N;145.22;1.85;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_C5";;;;;;;1.64;;-1.92;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM392603;MM392603;CNN(C=O)C(=N)C(=O)O;KQASRZLKLHTXCP-UHFFFAOYSA-N;145.12;-1.36;;;;;DOPC;MDCG;27;0;"MARTINI bead: P5_P1";;;;;;;-1.94;;-9.07;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM392604;MM392604;CNCCC(C=O)N(C)C;PLYGHIMUVZCOBM-UHFFFAOYSA-N;144.22;-0.28;;;;;DOPC;MDCG;27;1;"MARTINI bead: P2_Nd";;;;;;;-0.24;;-5.63;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM392605;MM392605;COC1=CC(=CO)N=C1;UOTFXAQBWUYZPY-UHFFFAOYSA-N;125.13;1;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNa_SNda";;;;;;;0.87;;-6.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM392606;MM392606;CCNCC(C=O)N(C)C;RBWCMURQVAIOAA-UHFFFAOYSA-N;144.22;-0.28;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_P1";;;;;;;0.04;;-4.69;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM392607;MM392607;COc1oc(=N)n(C)c1F;DLKSQEZDIFXIBG-UHFFFAOYSA-N;146.12;0.25;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNa_SP1";;;;;;;0.04;;-2.54;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM392608;MM392608;CCCCN(C=N)C(C)C;RNOLQTWFJOMJGI-UHFFFAOYSA-N;142.25;2.1;;;;;DOPC;MDCG;27;1;"MARTINI bead: C3_Nd";;;;;;;2.57;;-2.8;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM392609;MM392609;COc1oc(=O)n(C)c1F;QWYHXSVQSAXVKV-UHFFFAOYSA-N;147.11;0.13;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNa_SP1";;;;;;;0.04;;-2.54;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM392610;MM392610;CCCCN(C=O)C(C)C;XVACMSCLAZPTCV-UHFFFAOYSA-N;143.23;1.65;;;;;DOPC;MDCG;27;0;"MARTINI bead: C3_Nda";;;;;;;2.57;;0.44;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM392611;MM392611;COc1oc(=N)n(N)c1F;SEJXHVBTUFNXIC-UHFFFAOYSA-N;147.11;-0.58;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNa_SP2";;;;;;;-0.24;;-3.24;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM392612;MM392612;COCCN(C=O)C(C)C;VSQGOYUVXIQHSN-UHFFFAOYSA-N;145.2;0.5;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_Nda";;;;;;;0.04;;-2.73;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM392613;MM392613;COc1oc(=O)n(N)c1F;BGWKWYZZYXIQPL-UHFFFAOYSA-N;148.09;-0.7;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNa_SP2";;;;;;;-0.24;;-3.24;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM392614;MM392614;C=NN(CCCC)C(C)C;DNUYIRNDHKHJDZ-UHFFFAOYSA-N;142.25;2.11;;;;;DOPC;MDCG;27;0;"MARTINI bead: C3_N0";;;;;;;2.87;;0.37;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM392615;MM392615;CNc1con(N)c1=NN;JWJLWUGDBBDMLT-UHFFFAOYSA-N;143.15;-1.39;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNd_SP2";;;;;;;-0.24;;-3.16;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM392616;MM392616;C=NN(CCCF)C(C)C;UISBNCGTCLLTEN-UHFFFAOYSA-N;146.21;1.67;;;;;DOPC;MDCG;27;0;"MARTINI bead: N0_C5";;;;;;;1.94;;0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM392617;MM392617;Cn1c(O)noc1=O;KCULGASWLVYMCC-UHFFFAOYSA-N;116.08;-0.92;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP1_SP2";;;;;;;-1.06;;-8.24;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM392618;MM392618;CC(C)N(C=N)NCCF;XKGDEIYCTGJVLZ-UHFFFAOYSA-N;147.2;0.78;;;;;DOPC;MDCG;27;1;"MARTINI bead: P2_Na";;;;;;;-0.24;;-5.6;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM392619;MM392619;C#CCOCC1NC1C=O;GNAXTSVSEJCIER-UHFFFAOYSA-N;139.15;-0.82;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP2_Na";;;;;;;-0.24;;-3.24;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM392620;MM392620;C=CC(CCC=O)C(C)C;KORDLJZSBNUYQB-UHFFFAOYSA-N;140.23;2.42;;;;;DOPC;MDCG;27;0;"MARTINI bead: C3_C5";;;;;;;3.34;;0.48;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM392621;MM392621;C=CC1=C(C)C(F)C(=C)C1;RBEMNCHKRFHDOF-UHFFFAOYSA-N;138.19;2.79;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC3_SC5";;;;;;;3.34;;0.48;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM392622;MM392622;C=CCCC(C=O)C(C)C;MLCYMTOPFYVXEP-UHFFFAOYSA-N;140.23;2.42;;;;;DOPC;MDCG;27;0;"MARTINI bead: C3_C5";;;;;;;3.34;;0.48;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM392623;MM392623;C=C1OC(C#N)=C(N)C1C;ORZPPELFHZKFDJ-UHFFFAOYSA-N;136.15;0.86;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC5_SP1";;;;;;;0.81;;-0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM392624;MM392624;CC(C)C(C=O)CCC=O;CZQWCLPFVSPOKD-UHFFFAOYSA-N;142.2;1.44;;;;;DOPC;MDCG;27;0;"MARTINI bead: C3_Na";;;;;;;2.57;;0.45;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM392625;MM392625;CN1C(=N)CC(C=O)=C1N;IOSXKLKKANPMHS-UHFFFAOYSA-N;139.16;-0.33;;;;;DOPC;MDCG;27;1;"MARTINI bead: SP1_SP2";;;;;;;-1.06;;-8.4;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM392626;MM392626;CC(C)C(C#N)CCC#N;IYWNBJVGHSVRKO-UHFFFAOYSA-N;136.2;2.09;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_P1";;;;;;;0.81;;-0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM392627;MM392627;CN1C(=N)CC(C#N)=C1N;GNZGHZJGABVGGF-UHFFFAOYSA-N;136.16;-0.01;;;;;DOPC;MDCG;27;1;"MARTINI bead: SP1_SP1";;;;;;;-0.79;;-7.54;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM392628;MM392628;CC#CCOC(=NN)NN;HDMHQQVPSHXKIB-UHFFFAOYSA-N;142.16;-1.28;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4_P3";;;;;;;0.23;;-1.03;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM392629;MM392629;CN1C(=O)CC(C#N)=C1N;HVSYCMSHRHYUER-UHFFFAOYSA-N;137.14;-0.46;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP1_SP1";;;;;;;-0.79;;-3.13;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM392630;MM392630;CCCN(N)C(=NN)OC;IOORKVZNXZJZMV-UHFFFAOYSA-N;146.19;-0.55;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nd_P1";;;;;;;0.04;;-2.63;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM392631;MM392631;C=Cc1[nH]c(=N)n(C)c1C;LASMJWISEHNUOY-UHFFFAOYSA-N;137.19;0.78;;;;;DOPC;MDCG;27;1;"MARTINI bead: SNd_SNd";;;;;;;0.87;;-6.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM392632;MM392632;C=CCCC(C=O)C(C)O;HAUCYRYHCIZTLG-UHFFFAOYSA-N;142.2;1.15;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_C5";;;;;;;0.81;;-0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM392633;MM392633;Cn1c(N)c(C=O)[nH]c1=O;XBRTUBDQQUVLCC-UHFFFAOYSA-N;141.13;-0.89;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP3_SP1";;;;;;;-1.93;;-4.72;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM392634;MM392634;C=CC(CCC=O)C(C)F;YCJMQORLYQRDJV-UHFFFAOYSA-N;144.19;2.13;;;;;DOPC;MDCG;27;0;"MARTINI bead: C3_Na";;;;;;;2.57;;0.45;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM392635;MM392635;C=Cc1[nH]c(=N)n(C)c1O;IQLGSGLKRHVUEO-UHFFFAOYSA-N;139.16;0.18;;;;;DOPC;MDCG;27;1;"MARTINI bead: SP2_SNd";;;;;;;-0.24;;-5.39;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM392636;MM392636;CC(F)C(C=O)CCC=O;NUTHXDUSYNPYHA-UHFFFAOYSA-N;146.16;1.14;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_Na";;;;;;;0.87;;-2.22;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM392637;MM392637;C=Cc1[nH]c(=N)n(N)c1O;BGJMZPYQFWWTHP-UHFFFAOYSA-N;140.15;-0.64;;;;;DOPC;MDCG;27;1;"MARTINI bead: SP3_SNd";;;;;;;-1.1;;-5.76;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM392638;MM392638;CC(F)C(C#N)CCC#N;LTJITCQOZMBDJD-UHFFFAOYSA-N;140.16;1.79;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_P1";;;;;;;0.81;;-0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM392639;MM392639;CCOC(C=O)=CC(=O)O;SZGLICFGJPDVKD-UHFFFAOYSA-N;144.13;0.19;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_C5";;;;;;;0.54;;-5.49;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM392640;MM392640;C=CC(CCC=O)C(F)F;AROSFHHOPRRCCI-UHFFFAOYSA-N;148.15;2.03;;;;;DOPC;MDCG;27;0;"MARTINI bead: N0_C5";;;;;;;1.94;;0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM392641;MM392641;C=Cc1oc(=N)n(C)c1C;KZFQQNSNHJMTSO-UHFFFAOYSA-N;138.17;1.05;;;;;DOPC;MDCG;27;1;"MARTINI bead: SN0_SP1";;;;;;;0.34;;-2.59;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM392642;MM392642;C=CC(CNC=N)C(C)C;LIQUKJZMXWVIDE-UHFFFAOYSA-N;140.23;1.64;;;;;DOPC;MDCG;27;1;"MARTINI bead: C1_P3";;;;;;;0.94;;-3.81;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM392643;MM392643;Cc1c(C#N)oc(=O)n1C;KELVRZBXRRIRRV-UHFFFAOYSA-N;138.13;0.16;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP1_SNa";;;;;;;0.04;;-2.54;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM392644;MM392644;COC(=NN)N(N)CCF;KRSYTKSUOUFPLW-UHFFFAOYSA-N;150.16;-0.99;;;;;DOPC;MDCG;27;0;"MARTINI bead: P3_C5";;;;;;;-0.33;;-2.01;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM392645;MM392645;NN=c1c(F)cccn1N;SCVWGZXDYVSUNT-UHFFFAOYSA-N;142.14;-0.88;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNd_SNa";;;;;;;0.87;;-1.88;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM392646;MM392646;CC(C)C(C=O)CN=CN;WSLZGLSIGJIBSJ-UHFFFAOYSA-N;142.2;0.44;;;;;DOPC;MDCG;27;1;"MARTINI bead: C4_P3";;;;;;;0.23;;-4.37;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM392647;MM392647;NN=c1c(N)cncn1N;BOOXELLJGRWVEU-UHFFFAOYSA-N;140.15;-2.05;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP3_SP1";;;;;;;-1.93;;-4.72;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM392648;MM392648;C=CC(CNC=O)C(C)N;LHXYNICPRYFYDY-UHFFFAOYSA-N;142.2;-0.12;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_P3";;;;;;;-1.1;;-6.47;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM392649;MM392649;CC(=NN(C)C=O)C(=O)O;TWJFJGOGKCWFRE-UHFFFAOYSA-N;144.13;-0.46;;;;;DOPC;MDCG;27;0;"MARTINI bead: P4_Nda";;;;;;;-1.19;;-8.43;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM392650;MM392650;C=CC(CNC=N)C(C)O;HDFZYBKSEWMPJR-UHFFFAOYSA-N;142.2;0.37;;;;;DOPC;MDCG;27;1;"MARTINI bead: C5_P3";;;;;;;-0.33;;-5.97;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM392651;MM392651;CC(=O)NN=C(C)C(=O)O;DTRRZDYZHCDJFI-UHFFFAOYSA-N;144.13;-0.42;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_P2";;;;;;;-1.34;;-8.75;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM392652;MM392652;C=CC(CNC=O)C(C)O;HMFSXBRGICJJOG-UHFFFAOYSA-N;143.19;-0.08;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_P3";;;;;;;-0.33;;-2.01;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM392653;MM392653;C=Cc1oc(=N)n(C)c1N;BODHPODHAXKMDJ-UHFFFAOYSA-N;139.16;0.32;;;;;DOPC;MDCG;27;1;"MARTINI bead: SP3_SN0";;;;;;;-0.8;;-5.55;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM392654;MM392654;CC(O)C(C#N)CNC=N;IOKITXHJLFCPPH-UHFFFAOYSA-N;141.17;-0.3;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1_P2";;;;;;;-1.06;;-7.85;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM392655;MM392655;Cn1c(N)c(C#N)oc1=N;QTCZKHBWWIYXBS-UHFFFAOYSA-N;138.13;-0.45;;;;;DOPC;MDCG;27;1;"MARTINI bead: SP3_SP1";;;;;;;-1.93;;-6.34;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM392656;MM392656;CC(O)C(C#N)CNC=O;ARGFUVZIPCRVGN-UHFFFAOYSA-N;142.16;-0.75;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_P2";;;;;;;-1.06;;-3.82;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM392657;MM392657;C=Cc1oc(=O)n(C)c1N;CYFVNYAGJMFQSV-UHFFFAOYSA-N;140.14;0.2;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP3_SN0";;;;;;;-0.8;;-2.99;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM392658;MM392658;C=CC(CNC=N)C(C)F;CAOBSULVQOXERT-UHFFFAOYSA-N;144.19;1.34;;;;;DOPC;MDCG;27;1;"MARTINI bead: C3_P3";;;;;;;0.6;;-4.7;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM392659;MM392659;Nn1nc(O)n(O)c1=O;FJMRQJYPVNQGOO-UHFFFAOYSA-N;132.08;-2.3;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP2_SP3";;;;;;;-2.2;;-9.33;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM392660;MM392660;CN=CN(N)C(=NN)OC;HRRXMLUOCSYMJB-UHFFFAOYSA-N;145.17;-1.3;;;;;DOPC;MDCG;27;0;"MARTINI bead: P3_N0";;;;;;;-0.8;;-2.99;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM392661;MM392661;Cn1oc(O)c2ncnc1-2;OGIIDSVXVWSFBU-UHFFFAOYSA-N;139.11;0.22;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNda_SP1";;;;;;;0.04;;-7.21;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM392662;MM392662;N#CC(CNC=N)C(F)F;IKFYCNXEBMFFKW-UHFFFAOYSA-N;147.13;0.59;;;;;DOPC;MDCG;27;1;"MARTINI bead: N0_P2";;;;;;;0.06;;-6.18;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM392663;MM392663;NN=c1nconc1O;OITSFSDLOQVXHQ-UHFFFAOYSA-N;128.09;-1.45;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP3_SP3";;;;;;;-3.07;;-10.1;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM392664;MM392664;C=CC(COC=O)C(C)C;DQVGQZOZGBQDJA-UHFFFAOYSA-N;142.2;1.62;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1_P1";;;;;;;2.08;;0.48;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM392665;MM392665;C=Cc1oc(=N)n(N)c1O;VKAIAJMFMKHXSS-UHFFFAOYSA-N;141.13;-0.38;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP3_SN0";;;;;;;-0.8;;-2.99;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM392666;MM392666;C=COCC(C=O)C(C)C;PADAOHBVTNNBMX-UHFFFAOYSA-N;142.2;1.62;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_Na";;;;;;;1.64;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM392667;MM392667;CC(C)C(C#N)COC=O;DMQGIEYNALWTLZ-UHFFFAOYSA-N;141.17;0.96;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_P1";;;;;;;0.81;;-0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM392668;MM392668;Cc1noc(=NO)nc1O;XQZSHOFWULCPES-UHFFFAOYSA-N;143.1;-0.63;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP2_SP2";;;;;;;-1.34;;-8.75;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM392669;MM392669;C=COCC(C=O)C(C)O;RKOGOLBMIGPABW-UHFFFAOYSA-N;144.17;0.34;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_Na";;;;;;;0.04;;-2.54;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM392670;MM392670;NN=c1[nH]c(F)c(O)o1;QRAZQTBMIWQCAK-UHFFFAOYSA-N;133.08;-0.77;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP2_SNda";;;;;;;-0.24;;-7.72;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM392671;MM392671;CC(O)C(C=O)COC=O;MJEIRJDBRNMXEY-UHFFFAOYSA-N;146.14;-0.64;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_P1";;;;;;;-0.79;;-3.13;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM392672;MM392672;C=CCc1cc(O)[nH]n1;GIXVZAYKONHSBH-UHFFFAOYSA-N;124.14;0.84;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP1_SNda";;;;;;;0.04;;-7.21;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM392673;MM392673;C=CC(COC=O)C(F)F;NGWQRCZPKUGTIT-UHFFFAOYSA-N;150.12;1.23;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_P1";;;;;;;0.81;;-0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM392674;MM392674;C=Cc1oc(=N)n(C)c1F;NJLZOFIEHHYTAA-UHFFFAOYSA-N;142.13;0.88;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP1_SN0";;;;;;;0.34;;-1.53;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM392675;MM392675;O=COCC(C=O)C(F)F;CMBNNAGMUIGVHT-UHFFFAOYSA-N;152.1;0.24;;;;;DOPC;MDCG;27;0;"MARTINI bead: N0_P1";;;;;;;0.34;;-1.53;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM392676;MM392676;Cn1c(F)c(C=O)oc1=N;LNDKIWXXDRAUOT-UHFFFAOYSA-N;144.11;0.05;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP1_SP1";;;;;;;-0.79;;-3.13;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM392677;MM392677;N#CC(COC=O)C(F)F;VUFFAJLYRLIBFV-UHFFFAOYSA-N;149.1;0.56;;;;;DOPC;MDCG;27;0;"MARTINI bead: N0_P1";;;;;;;0.34;;-1.53;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM392678;MM392678;Cn1c(F)c(C#N)oc1=N;ILRRYRDXCRVMDS-UHFFFAOYSA-N;141.11;0.11;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP1_SP1";;;;;;;-0.79;;-3.13;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM392679;MM392679;CNN=C(C)C(=NN)NN;IJXBCAKGJWERFD-UHFFFAOYSA-N;144.18;-1.68;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nd_P4";;;;;;;-1.19;;-4.91;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM392680;MM392680;C=Cc1oc(=O)n(C)c1F;FFQAVDSBFFQQHW-UHFFFAOYSA-N;143.12;0.76;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP1_SN0";;;;;;;0.34;;-1.53;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM392681;MM392681;C=CCNC(C=C)C(C)C;FHJOYTOPIKMBIN-UHFFFAOYSA-N;139.24;1.97;;;;;DOPC;MDCG;27;1;"MARTINI bead: C1_P1";;;;;;;2.08;;-0.49;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM392682;MM392682;Cn1c(F)c(C=O)oc1=O;HIRLXDOZDMNOFW-UHFFFAOYSA-N;145.09;-0.07;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP1_SP1";;;;;;;-0.79;;-3.13;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM392683;MM392683;C=CC(NCC#N)C(C)C;DBZYMDJKQZTGEF-UHFFFAOYSA-N;138.21;1.31;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1_P3";;;;;;;0.94;;0.03;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM392684;MM392684;Cn1c(F)c(C#N)oc1=O;CXYDQVBOCVVCHW-UHFFFAOYSA-N;142.09;-0.01;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP1_SP1";;;;;;;-0.79;;-3.13;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM392685;MM392685;N#CC=C1CCC(=O)CN1;DMKJADFKNAXVNF-UHFFFAOYSA-N;136.15;0.35;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP2_SNd";;;;;;;-0.24;;-3.16;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM392686;MM392686;C=Cc1oc(=N)n(N)c1F;LNSMTFBHWNUMKC-UHFFFAOYSA-N;143.12;0.06;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP2_SN0";;;;;;;0.06;;-2.21;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM392687;MM392687;CC(C)C(C#N)NCC#N;GLCHNEFIILQJNS-UHFFFAOYSA-N;137.19;0.65;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_P1";;;;;;;-0.79;;-3.13;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM392688;MM392688;C=Cc1oc(=O)n(N)c1F;WWRCIZCPGUVWDY-UHFFFAOYSA-N;144.11;-0.06;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP2_SN0";;;;;;;0.06;;-2.21;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM392689;MM392689;CNc1cn(C)c(=NN)o1;SAVCJQXPIFMKMB-UHFFFAOYSA-N;142.16;-0.57;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNd_SP1";;;;;;;0.04;;-2.63;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM392690;MM392690;NN=c1c(F)cncn1N;BGOLYGQZZMPMTA-UHFFFAOYSA-N;143.13;-1.49;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP3_SNa";;;;;;;-1.1;;-4.2;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM392691;MM392691;COc1cn(C)c(=NN)o1;BINRNOFIBKHEBY-UHFFFAOYSA-N;143.15;-0.6;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNa_SP1";;;;;;;0.04;;-2.54;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM392692;MM392692;Cn1nncc(N)c1=NN;MTSMBNCGUUKJRY-UHFFFAOYSA-N;140.15;-1.83;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP2_SP3";;;;;;;-2.2;;-5.19;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM392693;MM392693;C#Cc1cn(C)c(=NN)o1;FUIXDUGSUSLDFO-UHFFFAOYSA-N;137.14;-0.63;;;;;DOPC;MDCG;27;0;"MARTINI bead: SN0_SP1";;;;;;;0.34;;-1.53;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM392694;MM392694;Cn1nncc(F)c1=NN;YLTDCHWNZQXHGE-UHFFFAOYSA-N;143.13;-1.27;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP1_SP2";;;;;;;-1.06;;-3.82;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM392695;MM392695;OC12CCCC1C2;NHPHSQKWQYLZSA-UHFFFAOYSA-N;98.15;0.92;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNda_SC4";;;;;;;2.2;;0.49;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM392696;MM392696;C=COC1=CC(=CO)N=C1;NHOGVYSIGOKTLR-UHFFFAOYSA-N;137.14;1.51;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNda_SC5";;;;;;;1.64;;-4.4;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM392697;MM392697;CC(C)C(C#N)NNC=N;QHILVAKOCOOXLM-UHFFFAOYSA-N;140.19;0.24;;;;;DOPC;MDCG;27;1;"MARTINI bead: C5_P4";;;;;;;-0.41;;-5.5;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM392698;MM392698;CC#CC(=O)OCC(=O)O;KRLKZSAJSCHKMN-UHFFFAOYSA-N;142.11;-0.36;;;;;DOPC;MDCG;27;0;"MARTINI bead: N0_P1";;;;;;;0.34;;-6.04;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM392699;MM392699;CC(C)C(C#N)NNC=O;ITMAMAUSFFOSIL-UHFFFAOYSA-N;141.17;-0.21;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_P4";;;;;;;-0.41;;-2.78;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM392700;MM392700;COC(=O)C=C(C)C(=O)O;TXHMXVHHWXUAQZ-UHFFFAOYSA-N;144.13;0.19;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_P1";;;;;;;0.81;;-4.98;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM392701;MM392701;N#CCOC(C=O)C(F)F;XKTODUVQJGQPDG-UHFFFAOYSA-N;149.1;0.36;;;;;DOPC;MDCG;27;0;"MARTINI bead: N0_Na";;;;;;;1.17;;-1.18;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM392702;MM392702;C#CC1=C(C)C(O)C(=N)N1;MFMVQCIQUWWDGN-UHFFFAOYSA-N;136.15;-0.17;;;;;DOPC;MDCG;27;1;"MARTINI bead: SNd_SP2";;;;;;;-0.24;;-4.3;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM392703;MM392703;N#CC(OCC=O)C(F)F;XDFQEMVZNJWNTH-UHFFFAOYSA-N;149.1;0.36;;;;;DOPC;MDCG;27;0;"MARTINI bead: N0_Na";;;;;;;1.17;;-1.18;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM392704;MM392704;C#CC1=C(C)C(O)C(=C)O1;WJQLBVVIRLQGSK-UHFFFAOYSA-N;136.15;0.8;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNa_SNda";;;;;;;0.87;;-1.99;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM392705;MM392705;C=CC(ONC=N)C(C)C;RNAXSKSEOCMGFA-UHFFFAOYSA-N;142.2;1.33;;;;;DOPC;MDCG;27;1;"MARTINI bead: C1_P4";;;;;;;0.85;;-2.27;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM392706;MM392706;C#Cc1[nH]c(=N)n(N)c1O;NZTCVVRZEZCKBY-UHFFFAOYSA-N;138.13;-1.3;;;;;DOPC;MDCG;27;1;"MARTINI bead: SP3_SNd";;;;;;;-1.1;;-5.03;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM392707;MM392707;C=CC(ONC=O)C(C)C;QXLBPFBGBCUHSH-UHFFFAOYSA-N;143.19;0.87;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1_P4";;;;;;;0.85;;-0.64;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM392708;MM392708;CONC(=O)C=O;NAMQPKZREBEBTR-UHFFFAOYSA-N;103.08;-1.14;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_P2";;;;;;;-1.34;;-8.76;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM392709;MM392709;CC(C)C(C=O)ONC=O;COONHVFLIBWQAF-UHFFFAOYSA-N;145.16;-0.11;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_P4";;;;;;;-0.41;;-2.78;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM392710;MM392710;C#Cc1[nH]c(=O)n(C)c1F;MGBGMCHTBWMEDG-UHFFFAOYSA-N;140.12;-0.17;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP1_SNd";;;;;;;0.04;;-2.63;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM392711;MM392711;CC(F)C(C=O)ONC=O;OURPTMWWMMMOAF-UHFFFAOYSA-N;149.12;-0.41;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_P3";;;;;;;-0.33;;-2.01;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM392712;MM392712;N#CCC(=O)C(C#N)=NO;YKNSTISISYDTCM-UHFFFAOYSA-N;137.1;-0.18;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_Na";;;;;;;-0.24;;-7.7;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM392713;MM392713;CC(F)C(C#N)ONC=O;UGZDHBGOESUYQT-UHFFFAOYSA-N;146.12;-0.09;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda_P2";;;;;;;-0.24;;-3.31;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM392714;MM392714;C#Cc1oc(=O)n(C)c1C;SEOXUDVPTFOXTE-UHFFFAOYSA-N;137.14;0.27;;;;;DOPC;MDCG;27;0;"MARTINI bead: SN0_SNa";;;;;;;1.17;;-1.18;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM392715;MM392715;CN(C)C(C=O)CN=CN;YJHIWNYNRNHOCY-UHFFFAOYSA-N;143.19;-0.9;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1_P2";;;;;;;-1.06;;-6.93;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM392716;MM392716;C#Cc1oc(=N)n(N)c1C;UZMUNOPCNFUXIH-UHFFFAOYSA-N;137.14;-0.44;;;;;DOPC;MDCG;27;0;"MARTINI bead: SN0_SP2";;;;;;;0.06;;-2.21;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM392717;MM392717;CN(C)C(C#N)CNC=N;IIIZOOVIZJAIKU-UHFFFAOYSA-N;140.19;-0.36;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_P3";;;;;;;-1.1;;-7.63;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM392718;MM392718;C=CC1=NNC(=NN)CC1;CGBDFODVDQPJTL-UHFFFAOYSA-N;138.17;0.18;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP1_SN0";;;;;;;0.34;;-1.53;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM392719;MM392719;C#CCC(C)C(C)O;AUPRNXWFKHDIKF-UHFFFAOYSA-N;112.17;1.03;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_C3";;;;;;;1.74;;0.29;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM392720;MM392720;C#Cc1oc(=N)n(C)c1N;IKOQLOGGXSVKNT-UHFFFAOYSA-N;137.14;-0.34;;;;;DOPC;MDCG;27;1;"MARTINI bead: SP3_SN0";;;;;;;-0.8;;-5.07;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM392721;MM392721;C#CCCC(O)CC;OOKKLYNRILHHCI-UHFFFAOYSA-N;112.17;1.17;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda_C5";;;;;;;1.64;;0.05;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM392722;MM392722;C#Cc1oc(=O)n(C)c1N;SAWOWLDXRFBWAU-UHFFFAOYSA-N;138.13;-0.46;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP3_SN0";;;;;;;-0.8;;-2.99;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM392723;MM392723;C=CCCN(N=C)C(C)C;HXTIWIWQVNXHGJ-UHFFFAOYSA-N;140.23;1.89;;;;;DOPC;MDCG;27;0;"MARTINI bead: N0_C4";;;;;;;2.5;;0.44;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM392724;MM392724;C#Cc1oc(=O)n(N)c1N;SZAXJNCOZFNWGR-UHFFFAOYSA-N;139.11;-1.28;;;;;DOPC;MDCG;27;0;"MARTINI bead: SN0_SP3";;;;;;;-0.8;;-2.99;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM392725;MM392725;C=NN(CCC#N)C(C)C;WIMHGLKXUPEBQK-UHFFFAOYSA-N;139.2;1.23;;;;;DOPC;MDCG;27;0;"MARTINI bead: N0_P1";;;;;;;0.34;;-1.53;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM392726;MM392726;C=C(C#CC(=O)O)C(C)O;JLNFXPCHLBPHKM-UHFFFAOYSA-N;140.14;0.01;;;;;DOPC;MDCG;27;0;"MARTINI bead: N0_P1";;;;;;;0.34;;-6.04;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM392727;MM392727;C=CCCN(C=O)N(C)C;LOUVBFMPOXYTRW-UHFFFAOYSA-N;142.2;0.5;;;;;DOPC;MDCG;27;0;"MARTINI bead: N0_P2";;;;;;;0.06;;-2.21;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM392728;MM392728;O=c1nnc(=NO)n(O)[nH]1;GRHYXMQWGNCDIT-UHFFFAOYSA-N;145.08;-2.51;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP3_SP4";;;;;;;-3.15;;-10.24;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM392729;MM392729;C#CCCC(C=O)C(C)C;MVWGUVIFHVWLIE-UHFFFAOYSA-N;138.21;1.87;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_C5";;;;;;;2.41;;0.64;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM392730;MM392730;CN=c1[nH]nnc(=NN)o1;IUIGTECCSHQSPH-UHFFFAOYSA-N;142.12;-2.3;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP2_SP3";;;;;;;-2.2;;-9.34;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM392731;MM392731;C#CCCC(C=O)C(C)O;LTEGQCDAJLNAJN-UHFFFAOYSA-N;140.18;0.6;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_N0";;;;;;;0.34;;-1.53;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM392732;MM392732;C=NNCC=C(F)C(=O)O;UUQMXSWCUFVFSS-UHFFFAOYSA-N;146.12;0.13;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda_P2";;;;;;;-0.24;;-7.73;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM392733;MM392733;C#CCCC(C=C)C(C)F;QUBCCLCYTFFMSP-UHFFFAOYSA-N;140.2;2.56;;;;;DOPC;MDCG;27;0;"MARTINI bead: C3_C5";;;;;;;3.34;;0.48;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM392734;MM392734;C#Cc1oc(=N)n(C)c1F;XMCTXWUVGJHZHU-UHFFFAOYSA-N;140.12;0.22;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP1_SN0";;;;;;;0.34;;-1.53;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM392735;MM392735;C#CCNC(C=C)C(C)C;LUYMBNMGHAFPBH-UHFFFAOYSA-N;137.23;1.42;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_N0";;;;;;;1.17;;-2.58;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM392736;MM392736;C#Cc1oc(=O)n(C)c1F;NSZGXGLMQYREPY-UHFFFAOYSA-N;141.1;0.1;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP1_SN0";;;;;;;0.34;;-1.53;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM392737;MM392737;C#CCNC(C#N)C(C)C;SSRJRDOFDLUVFR-UHFFFAOYSA-N;136.2;0.76;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_N0";;;;;;;0.34;;-1.53;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM392738;MM392738;C#Cc1oc(=N)n(N)c1F;CUPNGNNLHDEMNM-UHFFFAOYSA-N;141.11;-0.61;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP2_SN0";;;;;;;0.06;;-2.21;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM392739;MM392739;C#CCNC(C=C)C(C)N;JRRTUBPWCMLXEK-UHFFFAOYSA-N;138.21;0.11;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_P2";;;;;;;-0.24;;-5.37;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM392740;MM392740;C#Cc1oc(=O)n(N)c1F;FHXPNWKPMSSEIP-UHFFFAOYSA-N;142.09;-0.72;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP2_SN0";;;;;;;0.06;;-2.21;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM392741;MM392741;C#CCOC(C#N)C(F)F;MWHUAHLLPMJLIF-UHFFFAOYSA-N;145.11;0.79;;;;;DOPC;MDCG;27;0;"MARTINI bead: N0_Na";;;;;;;1.17;;-1.18;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM392742;MM392742;C=CC(C=O)C=NN1CC1;BGVHCDATKXXDCZ-UHFFFAOYSA-N;138.17;0.29;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_SP3";;;;;;;-1.1;;-4.2;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM392743;MM392743;C#CCCN(C=N)C(C)C;XAAXYMIGMMJOMX-UHFFFAOYSA-N;138.21;1.33;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_N0";;;;;;;1.17;;-4.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM392744;MM392744;NN=C(NN)OCC(=O)O;ZTGDGTJQWMZBKP-UHFFFAOYSA-N;148.12;-2.22;;;;;DOPC;MDCG;27;0;"MARTINI bead: P3_P1";;;;;;;-1.93;;-8.83;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM392745;MM392745;C#CCCN(N=C)C(C)C;MIRWQJFTMSICHL-UHFFFAOYSA-N;138.21;1.34;;;;;DOPC;MDCG;27;0;"MARTINI bead: N0_N0";;;;;;;1.47;;-0.05;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM392746;MM392746;C=C1C(C)=C(CC)CC1C;FLJDVBBREYPPOE-UHFFFAOYSA-N;136.24;3.31;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC1_SC3";;;;;;;4.61;;0.31;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM392747;MM392747;C#CCCN(C=N)N(C)C;LTAQUFSRCYIVKN-UHFFFAOYSA-N;139.2;0.4;;;;;DOPC;MDCG;27;1;"MARTINI bead: P3_N0";;;;;;;-0.8;;-5.18;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM392748;MM392748;C=C1C(C)=C(CN)CC1C;UUUNEXRZYYWRTI-UHFFFAOYSA-N;137.23;1.86;;;;;DOPC;MDCG;27;1;"MARTINI bead: SNd_SC3";;;;;;;2.57;;-0.95;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM392749;MM392749;C#CCCN(C=O)N(C)C;KRJHMIGOGYTDKQ-UHFFFAOYSA-N;140.19;-0.06;;;;;DOPC;MDCG;27;0;"MARTINI bead: P3_C5";;;;;;;-0.33;;-2.01;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM392750;MM392750;C=C1C(C)=C(CN)CC1N;CXFJJTVBVZYLQX-UHFFFAOYSA-N;138.21;0.55;;;;;DOPC;MDCG;27;1;"MARTINI bead: SNd_SNd";;;;;;;0.87;;-4.74;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM392751;MM392751;C#CC(CCCC)C(C)C;GNTJGLLSHZEFQR-UHFFFAOYSA-N;138.25;3.08;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1_C3";;;;;;;4.61;;0.31;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM392752;MM392752;C=C1C(C)=C(CO)CC1N;BRBDZDIBNQJTBL-UHFFFAOYSA-N;139.2;0.58;;;;;DOPC;MDCG;27;1;"MARTINI bead: SNda_SNd";;;;;;;0.87;;-4.03;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM392753;MM392753;C#CC(CCCN)C(C)C;XKEDYKZFJCSGRU-UHFFFAOYSA-N;139.24;1.63;;;;;DOPC;MDCG;27;1;"MARTINI bead: C3_Nd";;;;;;;2.57;;-1.51;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM392754;MM392754;C=C1C(C)=C(CN)CC1O;JGJZBWJMJDHDFX-UHFFFAOYSA-N;139.2;0.58;;;;;DOPC;MDCG;27;1;"MARTINI bead: SNd_SNda";;;;;;;0.87;;-3.84;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM392755;MM392755;C#CC(CCCF)C(C)C;SSSIJOQTROSEAG-UHFFFAOYSA-N;142.22;2.64;;;;;DOPC;MDCG;27;0;"MARTINI bead: C3_C4";;;;;;;3.9;;0.47;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM392756;MM392756;C=C1C(C)=C(CF)CC1O;NFTYCSVEPNDVEV-UHFFFAOYSA-N;142.17;1.59;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC4_SNda";;;;;;;2.2;;0.49;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM392757;MM392757;C#CC(CCCF)C(C)N;IQYXPLBJIRHSFC-UHFFFAOYSA-N;143.21;1.33;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1_C4";;;;;;;1.37;;-2.64;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM392758;MM392758;CCC1=C(C)C(=O)C(C)C1;DMUKXRSGZJPGBJ-UHFFFAOYSA-N;138.21;2.32;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC1_SNa";;;;;;;2.91;;0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM392759;MM392759;C#CC(CCCN)C(C)F;OCWFMYBMWVEIFN-UHFFFAOYSA-N;143.21;1.33;;;;;DOPC;MDCG;27;1;"MARTINI bead: C5_Nd";;;;;;;1.64;;-2.69;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM392760;MM392760;CCc1[nH]c(C)c(O)c1F;XQJGLZSERAALQV-UHFFFAOYSA-N;143.16;1.73;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC5_SNda";;;;;;;1.64;;0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM392761;MM392761;C#CC(CCCN)C(F)F;CETQOIKJRZNKRQ-UHFFFAOYSA-N;147.17;1.24;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_N0";;;;;;;1.17;;-3.83;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM392762;MM392762;CNc1[nH]c(C)c(O)c1F;BKTBLVSFOPHXMZ-UHFFFAOYSA-N;144.15;1.21;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNd_SNda";;;;;;;0.87;;-1.92;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM392763;MM392763;C#CC(CCNC)C(C)O;QMEBWOYDRIPGOZ-UHFFFAOYSA-N;141.21;0.23;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_P1";;;;;;;0.04;;-5.42;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM392764;MM392764;COc1on(N)c(=O)c1C;FOZBKFCITUQHMM-UHFFFAOYSA-N;144.13;-0.53;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNa_SP2";;;;;;;-0.24;;-3.24;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM392765;MM392765;C#CC(CCNC)C(F)F;BZUVIEFTLCXCGH-UHFFFAOYSA-N;147.17;1.11;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1_C5";;;;;;;0.81;;-3.55;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM392766;MM392766;C=CC1=C(C)C(=C)C(C)C1;HJACDYKCLPENLB-UHFFFAOYSA-N;134.22;3.08;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC3_SC3";;;;;;;4.27;;0.2;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM392767;MM392767;C#CC(CNCC)C(C)C;OIYFGFKJRZXTAF-UHFFFAOYSA-N;139.24;1.5;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1_C1";;;;;;;2.08;;-1.19;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM392768;MM392768;C=C1C(C)=C(C=O)CC1C;CQXBPNFUABACCW-UHFFFAOYSA-N;136.19;2.1;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNa_SC3";;;;;;;2.57;;0.45;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM392769;MM392769;C#CC(CNCC)C(C)N;DVUKEPJUCSHWEH-UHFFFAOYSA-N;140.23;0.19;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_P1";;;;;;;0.04;;-5.34;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM392770;MM392770;C=C1C(C)=C(C#N)CC1C;QPIPBFKTTPFYBW-UHFFFAOYSA-N;133.19;2.42;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC5_SC3";;;;;;;3.34;;0.48;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM392771;MM392771;C#CC(CNCC)C(C)F;ZQBDNIFDKGWMLL-UHFFFAOYSA-N;143.21;1.2;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1_C4";;;;;;;1.37;;-2.39;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM392772;MM392772;C=CC1=C(C)C(=C)C(N)C1;CKGMZVCDHAOXAE-UHFFFAOYSA-N;135.21;1.78;;;;;DOPC;MDCG;27;1;"MARTINI bead: SC3_SNd";;;;;;;2.57;;-1.13;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM392773;MM392773;C#CC(CNCC)C(F)F;YYMWZDBLAMSWJS-UHFFFAOYSA-N;147.17;1.11;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_N0";;;;;;;1.17;;-3.08;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM392774;MM392774;CC(C)C(C)(C)CO;FAMOAJMEFGYSNY-UHFFFAOYSA-N;116.2;1.66;;;;;DOPC;MDCG;27;0;"MARTINI bead: C3_Nda";;;;;;;2.57;;0.44;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM392775;MM392775;C#CC(NCCO)C(C)C;GYAVBVRVUVDVLO-UHFFFAOYSA-N;141.21;0.23;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_P1";;;;;;;0.04;;-4.25;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM392776;MM392776;C#CC(NCCN)C(C)F;OLTXPEHFLVBJPG-UHFFFAOYSA-N;144.19;-0.11;;;;;DOPC;MDCG;27;1;"MARTINI bead: C5_P3";;;;;;;-0.33;;-3.96;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM392777;MM392777;C=C1C(C)=C(C=O)CC1O;LYYMGAWSPPBPLA-UHFFFAOYSA-N;138.17;0.82;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNa_SNda";;;;;;;0.87;;-1.99;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM392778;MM392778;C#CC(OCCO)C(C)C;QRTWDFXZLPQUQA-UHFFFAOYSA-N;142.2;0.65;;;;;DOPC;MDCG;27;0;"MARTINI bead: C3_P3";;;;;;;0.6;;-0.8;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM392779;MM392779;C=C1C(C)=C(C=O)CC1F;OVAKLLHRTGOOGH-UHFFFAOYSA-N;140.16;1.8;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNa_SC5";;;;;;;1.64;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM392780;MM392780;C#CC(OCCO)C(C)N;ZTIQNVPAPDUQNS-UHFFFAOYSA-N;143.19;-0.66;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1_P1";;;;;;;-0.79;;-5.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM392781;MM392781;C=CC1=C(C)C(=O)C(C)C1;KMHCLXCTRWXXFT-UHFFFAOYSA-N;136.19;2.1;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC3_SNa";;;;;;;2.57;;0.45;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM392782;MM392782;C#CC(OCCF)C(C)N;MNJQRXDROHANOM-UHFFFAOYSA-N;145.18;0.32;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_P2";;;;;;;-0.24;;-5.08;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM392783;MM392783;CC1=C(C#N)CC(C)C1=O;LOIHLPKVZHAJGU-UHFFFAOYSA-N;135.17;1.44;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC5_SNa";;;;;;;1.64;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM392784;MM392784;C#CC(OCCO)C(C)O;QITLOTKVXJCCKS-UHFFFAOYSA-N;144.17;-0.62;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_P1";;;;;;;-0.79;;-3.13;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM392785;MM392785;C=C1C(N)=C(C#N)CC1C;LCMRVHHSNODHHK-UHFFFAOYSA-N;134.18;1.32;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNd_SC3";;;;;;;2.57;;0.53;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM392786;MM392786;C#CC(OCCN)C(F)F;DRLMYZHNKNWJLN-UHFFFAOYSA-N;149.14;0.23;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1_N0";;;;;;;0.34;;-3.57;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM392787;MM392787;CC1CC(C#N)=C(N)C1=O;MQFVVAIHKJAHMV-UHFFFAOYSA-N;136.15;0.33;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNd_SNa";;;;;;;0.87;;-1.88;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM392788;MM392788;C#CC(OCCO)C(F)F;XGABVXHWTVNPPF-UHFFFAOYSA-N;150.12;0.26;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_N0";;;;;;;0.34;;-1.53;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM392789;MM392789;C#CC1=C(C)C(=C)C(C)C1;LAMMHIZRLJQUSG-UHFFFAOYSA-N;132.21;2.53;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC5_SC3";;;;;;;3.34;;0.48;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM392790;MM392790;C#CC(CCCF)N(C)C;MLRVQOKCSPUNPY-UHFFFAOYSA-N;143.21;1.3;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1_C4";;;;;;;1.37;;-1.46;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM392791;MM392791;C#CC1=C(C)C(=C)C(N)C1;QQIHUCAPXNBSFP-UHFFFAOYSA-N;133.19;1.22;;;;;DOPC;MDCG;27;1;"MARTINI bead: SC5_SNd";;;;;;;1.64;;-2.28;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM392792;MM392792;C#CC(CCC=O)C(C)C;CVUPMRLNLPWESA-UHFFFAOYSA-N;138.21;1.87;;;;;DOPC;MDCG;27;0;"MARTINI bead: C3_Na";;;;;;;2.57;;0.45;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM392793;MM392793;Cc1c[nH]c(N)c1C;UMTZVLJISSMAPK-UHFFFAOYSA-N;110.16;1.21;;;;;DOPC;MDCG;27;0;"MARTINI bead: SN0_SNd";;;;;;;1.17;;-1.04;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM392794;MM392794;C=C1COC(=NN)N1;DQHMAWDZJMFVGM-UHFFFAOYSA-N;113.12;-0.65;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP2_SP1";;;;;;;-1.06;;-3.82;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM392795;MM392795;C#CC1=C(C)C(=C)C(F)C1;GCGLDZGVVNMIJB-UHFFFAOYSA-N;136.17;2.23;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC5_SC5";;;;;;;2.41;;0.64;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM392796;MM392796;C#CC(CCC=C)C(C)F;BQRKEAXJOCBDRV-UHFFFAOYSA-N;140.2;2.56;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_C1";;;;;;;3.68;;0.46;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM392797;MM392797;C#CC1=C(C)C(=O)C(C)C1;ZQSFDLKQLQZQJB-UHFFFAOYSA-N;134.18;1.55;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC5_SNa";;;;;;;1.64;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM392798;MM392798;C#CC(CCC=O)C(C)F;UUTDFQWKENGPHI-UHFFFAOYSA-N;142.17;1.57;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4_Na";;;;;;;2.2;;0.34;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM392799;MM392799;C=C1CC(CC)=C(C)C1=C;DTQMSZKSTUNFHC-UHFFFAOYSA-N;134.22;3.23;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC1_SC4";;;;;;;4.24;;0.42;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM392800;MM392800;C#CC(CNC=N)C(C)C;VHHUBEVUTYBGSC-UHFFFAOYSA-N;138.21;1.09;;;;;DOPC;MDCG;27;1;"MARTINI bead: C3_P3";;;;;;;0.6;;-4.63;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM392801;MM392801;C=C1CC(CC)=C(C)C1=O;JPWQUXLVOHJCFM-UHFFFAOYSA-N;136.19;2.24;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC1_SNa";;;;;;;2.91;;0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM392802;MM392802;C=C1CC(CO)=C(C)C1=O;YDQCGQXBHJUERU-UHFFFAOYSA-N;138.17;0.82;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNda_SNa";;;;;;;0.87;;-1.99;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM392803;MM392803;CCc1ccc(N)[nH]1;NDLONQIWRDRQPE-UHFFFAOYSA-N;110.16;1.16;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC5_SP1";;;;;;;0.81;;-0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM392804;MM392804;C=C1CC(CF)=C(C)C1=O;QZCYJFWFKONZGV-UHFFFAOYSA-N;140.16;1.8;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC4_SNa";;;;;;;2.2;;0.34;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM392805;MM392805;C#CC(CNC=O)C(C)F;TWLCPUJDTIEIPM-UHFFFAOYSA-N;143.16;0.34;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4_P3";;;;;;;0.23;;-1.03;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM392806;MM392806;C=C1CC(NC)=C(C)C1=O;LMCCCRXYZWFPSV-UHFFFAOYSA-N;137.18;1.01;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC5_SNa";;;;;;;1.64;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM392807;MM392807;C#CC(CNN=C)C(C)C;ZOZCLZMSFSQTQE-UHFFFAOYSA-N;138.21;1.1;;;;;DOPC;MDCG;27;0;"MARTINI bead: C3_P2";;;;;;;1.46;;-0.15;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM392808;MM392808;C=c1oc(CC)c(C)c1=C;ICUHGDSFADKMBC-UHFFFAOYSA-N;136.19;0.97;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC4_SC4";;;;;;;3.53;;0.53;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM392809;MM392809;C#CC(COC=O)C(C)C;GXQQAJYDRDIITF-UHFFFAOYSA-N;140.18;1.06;;;;;DOPC;MDCG;27;0;"MARTINI bead: C3_P1";;;;;;;1.74;;0.29;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM392810;MM392810;C=c1oc(CN)c(C)c1=C;SIHOJGLVGMSVNZ-UHFFFAOYSA-N;137.18;-0.13;;;;;DOPC;MDCG;27;1;"MARTINI bead: SP1_SC4";;;;;;;1.37;;-1.36;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM392811;MM392811;C#CC(COC=O)C(C)N;KIFBDESUAQFULX-UHFFFAOYSA-N;141.17;-0.24;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_P1";;;;;;;0.04;;-5.26;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM392812;MM392812;C=c1oc(CO)c(C)c1=C;SKXVFBSTKXKISL-UHFFFAOYSA-N;138.17;-0.1;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNda_SC4";;;;;;;2.2;;0.49;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM392813;MM392813;C#CC(NCC=C)C(C)C;RCXBTIOVRVIROY-UHFFFAOYSA-N;137.23;1.42;;;;;DOPC;MDCG;27;1;"MARTINI bead: C3_P1";;;;;;;1.74;;-0.88;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM392814;MM392814;C=c1oc(CF)c(C)c1=C;FEHYFVXRCVNGNH-UHFFFAOYSA-N;140.16;0.88;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC5_SC4";;;;;;;2.97;;0.45;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM392815;MM392815;C#CC(NNC=N)C(F)F;INWMGKAKESYLQD-UHFFFAOYSA-N;147.13;-0.05;;;;;DOPC;MDCG;27;1;"MARTINI bead: C5_P4";;;;;;;-0.41;;-5.48;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM392816;MM392816;C=c1oc(CC)c(F)c1=C;WQGZZHPKDRWMBK-UHFFFAOYSA-N;140.16;0.8;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC4_SC5";;;;;;;2.97;;0.45;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM392817;MM392817;C#CC(NNC=O)C(F)F;IBEVYIMTTNRORA-UHFFFAOYSA-N;148.11;-0.5;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_P4";;;;;;;-0.41;;-2.78;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM392818;MM392818;C=c1oc(CN)c(F)c1=C;RDLVNYSBJPGYSJ-UHFFFAOYSA-N;141.15;-0.3;;;;;DOPC;MDCG;27;1;"MARTINI bead: SNda_SC5";;;;;;;1.64;;-1.21;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM392819;MM392819;C#CC(OCC#N)C(F)F;NBLDNEAJJLPMOR-UHFFFAOYSA-N;145.11;0.79;;;;;DOPC;MDCG;27;0;"MARTINI bead: N0_Na";;;;;;;1.17;;-1.18;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM392820;MM392820;C=c1oc(CO)c(F)c1=C;WYKFOXSQHJAOCV-UHFFFAOYSA-N;142.13;-0.27;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNda_SC5";;;;;;;1.64;;0.05;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM392821;MM392821;C#CC(ONC=O)C(C)O;KCMPZZFALQRCBK-UHFFFAOYSA-N;143.14;-0.95;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda_P4";;;;;;;-1.19;;-4.91;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM392822;MM392822;C=c1oc(CF)c(F)c1=C;CMTQSEFPJAMAEG-UHFFFAOYSA-N;144.12;0.71;;;;;DOPC;MDCG;27;0;"MARTINI bead: SN0_SC5";;;;;;;1.94;;0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM392823;MM392823;C#CCOC(C#C)C(F)F;SJXKTHJNELVGLP-UHFFFAOYSA-N;144.12;0.9;;;;;DOPC;MDCG;27;0;"MARTINI bead: N0_Na";;;;;;;1.17;;-1.18;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM392824;MM392824;C=CC1=C(C)C(=C)C(=C)C1;CDAVWVKNWRQRLC-UHFFFAOYSA-N;132.21;3.01;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC3_SC4";;;;;;;3.9;;0.47;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM392825;MM392825;C=C(C)C(CN)CCCF;QIWVQPHKQMKDIE-UHFFFAOYSA-N;145.22;1.89;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_C4";;;;;;;2.2;;-2.18;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM392826;MM392826;C=CC1=C(C)C(=O)C(=C)C1;FQRKIIDPRSKWQO-UHFFFAOYSA-N;134.18;2.02;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC3_SNa";;;;;;;2.57;;0.45;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM392827;MM392827;C=C(C)C(CF)CCCN;PRPJQQTZUHPHRU-UHFFFAOYSA-N;145.22;1.89;;;;;DOPC;MDCG;27;1;"MARTINI bead: C4_Nd";;;;;;;2.2;;-2.21;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM392828;MM392828;C=C1CC(C#N)=C(C)C1=O;ZIGXGLZCZCHRGM-UHFFFAOYSA-N;133.15;1.36;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC5_SNa";;;;;;;1.64;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM392829;MM392829;CC(=O)C(CO)CCCO;YBNXAHHVWRCYCR-UHFFFAOYSA-N;146.19;-0.04;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_Nda";;;;;;;-0.24;;-3.31;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM392830;MM392830;C=Cc1oc(=C)c(=C)c1C;UORQTSUYZJFMSI-UHFFFAOYSA-N;134.18;1.05;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC5_SC4";;;;;;;2.97;;0.45;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM392831;MM392831;CC(=O)C(CF)CCCF;RNRLTJXLVGNMAV-UHFFFAOYSA-N;150.17;1.91;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_C4";;;;;;;1.37;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM392832;MM392832;C=c1oc(C=O)c(C)c1=C;FVIWNKJHFBBPNR-UHFFFAOYSA-N;136.15;0.22;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNa_SC5";;;;;;;1.64;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM392833;MM392833;N=C(N)C(CN)CCCF;PVMXVHSKBNYEOR-UHFFFAOYSA-N;147.2;0.25;;;;;DOPC;MDCG;27;1;"MARTINI bead: P3_C5";;;;;;;-0.33;;-6.21;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM392834;MM392834;C=c1oc(C#N)c(C)c1=C;KSLNTCHNQDNLSL-UHFFFAOYSA-N;133.15;0.28;;;;;DOPC;MDCG;27;0;"MARTINI bead: SN0_SC5";;;;;;;1.94;;0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM392835;MM392835;CCCCC(CF)C(=N)N;WOMFRMQKTQIGDP-UHFFFAOYSA-N;146.21;1.7;;;;;DOPC;MDCG;27;1;"MARTINI bead: C3_P1";;;;;;;1.74;;-3.85;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM392836;MM392836;C=c1oc(C=O)c(N)c1=C;CJEOUTVPTUAIBD-UHFFFAOYSA-N;137.14;-0.51;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNa_SP1";;;;;;;0.04;;-2.54;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM392837;MM392837;N=C(N)C(CF)CCCN;NWQKCRRDIHNBBG-UHFFFAOYSA-N;147.2;0.25;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1_P1";;;;;;;-0.79;;-7.7;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM392838;MM392838;C=c1oc(C#N)c(N)c1=C;KOYBQCDSMBWMCG-UHFFFAOYSA-N;134.14;-0.45;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNd_SC5";;;;;;;1.64;;0.02;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM392839;MM392839;N=C(N)C(CF)CCCF;PQHVWYYRLSVFKZ-UHFFFAOYSA-N;150.17;1.26;;;;;DOPC;MDCG;27;1;"MARTINI bead: P3_C4";;;;;;;0.23;;-5.24;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM392840;MM392840;C=C1OC(C#N)=C(N)C1=O;FTOCFYMXGPVDQD-UHFFFAOYSA-N;136.11;-0.21;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP1_SNa";;;;;;;0.04;;-2.54;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM392841;MM392841;COC(=NN)N1CC1;OIKVOFHTFIIAAU-UHFFFAOYSA-N;115.14;-0.82;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_SP2";;;;;;;-1.06;;-3.82;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM392842;MM392842;C=Cc1oc(=C)c(=C)c1F;WLFVVYULCZCTIA-UHFFFAOYSA-N;138.14;0.88;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC5_SC5";;;;;;;2.41;;0.64;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM392843;MM392843;NCC(CCCF)C(N)=O;LJTJEXSVPXYIAW-UHFFFAOYSA-N;148.18;-0.2;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nda_P3";;;;;;;-1.1;;-5.69;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM392844;MM392844;C=c1oc(C=O)c(F)c1=C;NUBJGJYZZMUDBD-UHFFFAOYSA-N;140.11;0.05;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNa_SC5";;;;;;;1.64;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM392845;MM392845;CCCCC(CF)C(N)=O;UZALUWCTIYTFBZ-UHFFFAOYSA-N;147.19;1.25;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1_P3";;;;;;;0.94;;0.03;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM392846;MM392846;C=c1oc(C#N)c(F)c1=C;KSLUWIWYUZQPNI-UHFFFAOYSA-N;137.11;0.11;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNa_SC5";;;;;;;1.64;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM392847;MM392847;CCC(CCCF)C(=O)O;YUXKJPBCGSHNGH-UHFFFAOYSA-N;148.18;1.85;;;;;DOPC;MDCG;27;-1;"MARTINI bead: Nda_C4";;;;;;;2.2;;-1.84;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM392848;MM392848;C#CC1=C(C)C(=C)C(=C)C1;BGPWUOXDLQCVAL-UHFFFAOYSA-N;130.19;2.45;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC5_SC4";;;;;;;2.97;;0.45;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM392849;MM392849;O=C(O)C(CF)CCCF;IWRGQADMNQMYPF-UHFFFAOYSA-N;152.14;1.41;;;;;DOPC;MDCG;27;-1;"MARTINI bead: Nda_Na";;;;;;;0.87;;-4.99;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM392850;MM392850;C#CC1=C(C)C(=O)C(=C)C1;WSXUZWFRLMWLCO-UHFFFAOYSA-N;132.16;1.47;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC5_SNa";;;;;;;1.64;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM392851;MM392851;C=C(F)C(CN)CCCO;DFDBUGROMFQTKH-UHFFFAOYSA-N;147.19;0.82;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nda_P1";;;;;;;0.04;;-5.39;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM392852;MM392852;C#Cc1oc(=C)c(=C)c1C;HPYIIJUAFJTQAV-UHFFFAOYSA-N;132.16;0.39;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC5_SC5";;;;;;;2.41;;0.64;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM392853;MM392853;C=C(F)C(CN)CCCF;GRCXNKRUPIHRNY-UHFFFAOYSA-N;149.18;1.79;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nda_C5";;;;;;;1.64;;-2.56;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM392854;MM392854;C#Cc1oc(=C)c(=C)c1F;LWVQFZFZJGBDDO-UHFFFAOYSA-N;136.13;0.22;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC5_SC5";;;;;;;2.41;;0.64;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM392855;MM392855;C=C(F)C(CF)CCCN;LPIUEXIVKISZQJ-UHFFFAOYSA-N;149.18;1.79;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_C5";;;;;;;1.64;;-2.69;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM392856;MM392856;CC1=CC(CO)=C(C)C1C;HUJCKRZHJDMEIN-UHFFFAOYSA-N;138.21;1.89;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC4_SNda";;;;;;;2.2;;0.49;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM392857;MM392857;CNCCC(CO)C(C)=O;FDNIJKBTWPWIFH-UHFFFAOYSA-N;145.2;-0.21;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_P2";;;;;;;-0.24;;-5.69;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM392858;MM392858;CC1=CC(CO)=C(C)C1O;JZWFKTJYJIPZPA-UHFFFAOYSA-N;140.18;0.62;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNda_SNda";;;;;;;0.87;;-2.07;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM392859;MM392859;CNCCC(CF)C(=N)N;LZCNGXAXXMTAPS-UHFFFAOYSA-N;147.2;0.12;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1_P1";;;;;;;-0.79;;-7.67;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM392860;MM392860;CCc1cc(C)n(C)c1C;HUQPYNMJMFCZBO-UHFFFAOYSA-N;137.23;2.2;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC5_SC5";;;;;;;2.41;;0.64;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM392861;MM392861;CNCCC(CF)C(N)=O;VIZJYBPVMPBCMO-UHFFFAOYSA-N;148.18;-0.33;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1_P1";;;;;;;-0.79;;-6.07;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM392862;MM392862;Cc1cc(CN)c(C)n1C;QDKVKIHUOVMMCG-UHFFFAOYSA-N;138.21;1.1;;;;;DOPC;MDCG;27;1;"MARTINI bead: SP1_SC5";;;;;;;0.81;;-2.43;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM392863;MM392863;C=C(F)C(CF)CCNC;RADODRPYBUSLIS-UHFFFAOYSA-N;149.18;1.66;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1_C4";;;;;;;1.37;;-3.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM392864;MM392864;Cc1c(CN)cc(N)n1C;ZTEZOBGFWQQKJJ-UHFFFAOYSA-N;139.2;0.37;;;;;DOPC;MDCG;27;1;"MARTINI bead: SP1_SNd";;;;;;;0.04;;-4.68;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM392865;MM392865;COCCC(CO)C(=N)N;RVGPMWKIHQYLAU-UHFFFAOYSA-N;146.19;-0.43;;;;;DOPC;MDCG;27;1;"MARTINI bead: Na_P4";;;;;;;-1.19;;-8.34;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM392866;MM392866;CCc1cc(N)n(N)c1C;LCPAHPZXQPYZMC-UHFFFAOYSA-N;139.2;0.65;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC5_SP1";;;;;;;0.81;;-0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM392867;MM392867;COCCC(CF)C(=N)N;KEKVNYOPOQBAIF-UHFFFAOYSA-N;148.18;0.54;;;;;DOPC;MDCG;27;1;"MARTINI bead: Na_P2";;;;;;;-0.24;;-7.63;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM392868;MM392868;COCC1NC1C=O;BMQYDNYFZFLZDO-UHFFFAOYSA-N;115.13;-0.83;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_SP2";;;;;;;-1.06;;-3.82;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM392869;MM392869;C=C(F)C(CO)CCOC;XVZFTXGEFGHSAG-UHFFFAOYSA-N;148.18;1.11;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_Nda";;;;;;;0.87;;-1.99;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM392870;MM392870;CCc1cc(O)n(O)c1C;RXLVEULQHDMOPF-UHFFFAOYSA-N;141.17;1.3;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC5_SNda";;;;;;;1.64;;0.05;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM392871;MM392871;C=C(C)C(CCCC)NC;QXMWBVYUWFHJDK-UHFFFAOYSA-N;141.26;2.34;;;;;DOPC;MDCG;27;1;"MARTINI bead: C1_Nd";;;;;;;2.91;;-0.43;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM392872;MM392872;NN=c1ccon1N;RINPSZPPQWJYEZ-UHFFFAOYSA-N;114.11;-1.43;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP2_SN0";;;;;;;0.06;;-2.21;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM392873;MM392873;C=C(C)C(CCCF)NC;ALQHOUCWQQADSQ-UHFFFAOYSA-N;145.22;1.9;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_C5";;;;;;;1.64;;-2.56;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM392874;MM392874;Cn1oncc1=NN;AXKQELCDTMLEMA-UHFFFAOYSA-N;114.11;-1.21;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP1_SP2";;;;;;;-1.06;;-3.82;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM392875;MM392875;CCCCC(NC)C(=N)N;WQFJCAAWOSFEIF-UHFFFAOYSA-N;143.23;0.7;;;;;DOPC;MDCG;27;1;"MARTINI bead: C4_P3";;;;;;;0.23;;-4.78;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM392876;MM392876;Nc1cc(CF)c(N)n1N;YLXYKLNSCHHXJX-UHFFFAOYSA-N;144.15;-0.16;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNa_SP1";;;;;;;0.04;;-2.54;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM392877;MM392877;CNC(CCCF)C(=N)N;FBXYRYKCAIEIPN-UHFFFAOYSA-N;147.2;0.26;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nda_P3";;;;;;;-1.1;;-7.61;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM392878;MM392878;CCc1cc(F)n(C)c1O;XKVDQKGZNZVYNR-UHFFFAOYSA-N;143.16;1.43;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC5_SNda";;;;;;;1.64;;0.05;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM392879;MM392879;CCCCC(NC)C(N)=O;BQGOJPMXVPPJRL-UHFFFAOYSA-N;144.22;0.25;;;;;DOPC;MDCG;27;1;"MARTINI bead: C4_P3";;;;;;;0.23;;-2.66;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM392880;MM392880;CCc1cc(C)n(N)c1O;NSBDGMJSNWWPJF-UHFFFAOYSA-N;140.19;0.78;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC5_SNda";;;;;;;1.64;;0.05;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM392881;MM392881;C=C(F)C(CCCN)NC;VTBNURLETJVCPC-UHFFFAOYSA-N;146.21;0.8;;;;;DOPC;MDCG;27;1;"MARTINI bead: P2_C5";;;;;;;0.54;;-3.87;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM392882;MM392882;Cc1cc(CN)c(O)n1O;WHIVRQGBFVSZIX-UHFFFAOYSA-N;142.16;0.2;;;;;DOPC;MDCG;27;1;"MARTINI bead: SP1_SNda";;;;;;;0.04;;-4.36;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM392883;MM392883;CCCCC(OC)C(C)=O;OBUTYKNVOYWARY-UHFFFAOYSA-N;144.21;1.78;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1_P1";;;;;;;2.08;;0.48;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM392884;MM392884;Cn1c(F)cc(CN)c1F;FRCNDOIVADQRAI-UHFFFAOYSA-N;146.14;0.76;;;;;DOPC;MDCG;27;1;"MARTINI bead: SC5_SP1";;;;;;;0.81;;-1.66;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM392885;MM392885;CCc1cc(C)n(O)c1F;ZRJJRYYRBBHSDW-UHFFFAOYSA-N;143.16;1.74;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC5_SNda";;;;;;;1.64;;0.05;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM392886;MM392886;C=C(C)C(CN)CNCC;FVPYPWPIEIIFGY-UHFFFAOYSA-N;142.25;0.75;;;;;DOPC;MDCG;27;1;"MARTINI bead: P2_C5";;;;;;;0.54;;-4.08;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM392887;MM392887;Cc1cc(CO)c(F)n1O;AOXLTPWBDLZVFL-UHFFFAOYSA-N;145.13;0.67;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNda_SNda";;;;;;;0.87;;-2.07;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM392888;MM392888;C=C(C)C(CF)CNCC;AMDCOIQJSZECPU-UHFFFAOYSA-N;145.22;1.76;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_C4";;;;;;;2.2;;-2.32;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM392889;MM392889;NCc1cc(N)n(O)c1F;UIDIVVFJFNQMHS-UHFFFAOYSA-N;145.14;-0.09;;;;;DOPC;MDCG;27;1;"MARTINI bead: SP1_SNda";;;;;;;0.04;;-3.76;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM392890;MM392890;CCNCC(CO)C(C)=O;LNHPYGXPMJZFAC-UHFFFAOYSA-N;145.2;-0.21;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_P2";;;;;;;-0.24;;-5.3;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM392891;MM392891;CNc1cc(N)n(N)c1C;WODRFVZWRKAQOC-UHFFFAOYSA-N;140.19;0.13;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNd_SP1";;;;;;;0.04;;-2.63;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM392892;MM392892;CCNCC(CC)C(=N)N;BNKOSBJQOHVTLV-UHFFFAOYSA-N;143.23;0.56;;;;;DOPC;MDCG;27;1;"MARTINI bead: C4_P3";;;;;;;0.23;;-5.41;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM392893;MM392893;CNc1cc(N)n(N)c1N;UTARMBTZIOROCS-UHFFFAOYSA-N;141.18;-0.59;;;;;DOPC;MDCG;27;1;"MARTINI bead: SNd_SP1";;;;;;;0.04;;-3.99;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM392894;MM392894;CCNCC(CF)C(=N)N;CEPIQAOTRCMZPC-UHFFFAOYSA-N;147.2;0.12;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_P2";;;;;;;-0.24;;-7.38;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM392895;MM392895;CNN(C=O)CC(C)=O;HHYGRPAEMLQGNB-UHFFFAOYSA-N;130.15;-0.83;;;;;DOPC;MDCG;27;0;"MARTINI bead: P3_Na";;;;;;;-1.1;;-4.2;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM392896;MM392896;CCNCC(CC)C(N)=O;FHWZSNIWUNAZNM-UHFFFAOYSA-N;144.22;0.11;;;;;DOPC;MDCG;27;1;"MARTINI bead: C4_P3";;;;;;;0.23;;-3.47;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM392897;MM392897;COc1cc(C)n(N)c1N;HQNFADKMKADDGY-UHFFFAOYSA-N;141.17;0.1;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNa_SP1";;;;;;;0.04;;-2.54;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM392898;MM392898;CCNCC(CF)C(N)=O;ZEQTUOZEJCTYLW-UHFFFAOYSA-N;148.18;-0.33;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1_P1";;;;;;;-0.79;;-5.27;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM392899;MM392899;COc1cc(F)n(C)c1O;HGLQTMZFSSPNNX-UHFFFAOYSA-N;145.13;0.88;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNa_SNda";;;;;;;0.87;;-1.99;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM392900;MM392900;CCNCC(NC)C(C)=O;NUKAHSOXCWCXAQ-UHFFFAOYSA-N;144.22;-0.23;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_P2";;;;;;;-0.24;;-4.83;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM392901;MM392901;C=NOC(=N)NC=NN;YBQNWIVQSWXRSD-UHFFFAOYSA-N;129.12;-0.96;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_P2";;;;;;;-1.06;;-3.82;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM392902;MM392902;CCNCC(OC)C(=N)N;SBIIHLWLUISQCR-UHFFFAOYSA-N;145.21;-0.45;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1_P2";;;;;;;-1.06;;-7.4;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM392903;MM392903;COc1cc(F)n(N)c1O;FFGOLDPHYQNFEW-UHFFFAOYSA-N;146.12;0.06;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNa_SNda";;;;;;;0.87;;-1.99;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM392904;MM392904;CCNCC(OC)C(N)=O;ZPDZAOYOUDBZAE-UHFFFAOYSA-N;146.19;-0.9;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1_P2";;;;;;;-1.06;;-5.47;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM392905;MM392905;COc1cc(N)n(O)c1F;VCRRTMMWQZQARF-UHFFFAOYSA-N;146.12;0.46;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNa_SNda";;;;;;;0.87;;-1.99;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM392906;MM392906;CCOCC(CO)C(C)=O;RUQGOCHMGSZMMM-UHFFFAOYSA-N;146.19;0.22;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_P2";;;;;;;-0.24;;-3.24;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM392907;MM392907;CCc1nc(N)n(C)c1C;ANIMIQBSHCPPBA-UHFFFAOYSA-N;139.2;0.87;;;;;DOPC;MDCG;27;1;"MARTINI bead: SNa_SP1";;;;;;;0.04;;-4.2;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM392908;MM392908;CCOCC(CO)C(=N)N;UWFDSYUXKGJMBP-UHFFFAOYSA-N;146.19;-0.43;;;;;DOPC;MDCG;27;1;"MARTINI bead: Na_P4";;;;;;;-1.19;;-8.23;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM392909;MM392909;Cc1c(CN)nc(N)n1C;ANLRHNSJEDSOOE-UHFFFAOYSA-N;140.19;-0.23;;;;;DOPC;MDCG;27;1;"MARTINI bead: SP2_SP1";;;;;;;-1.06;;-5.28;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM392910;MM392910;CCOCC(CF)C(=N)N;MYRXEGREDCBMMM-UHFFFAOYSA-N;148.18;0.54;;;;;DOPC;MDCG;27;1;"MARTINI bead: Na_P2";;;;;;;-0.24;;-7.21;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM392911;MM392911;C=CC(O)C(C)C(=C)C;HSJTYNJGVHGDNL-UHFFFAOYSA-N;126.2;1.75;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda_C1";;;;;;;2.91;;0.57;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM392912;MM392912;CCOCC(CO)C(N)=O;QOWJONHSMXIJPK-UHFFFAOYSA-N;147.17;-0.88;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_P4";;;;;;;-1.19;;-4.76;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM392913;MM392913;C=CCC(O)C(=C)CC;GHHRCDMFXPVVJF-UHFFFAOYSA-N;126.2;1.89;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_C4";;;;;;;2.97;;0.45;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM392914;MM392914;CCOCC(CF)C(N)=O;ZHXQETCNWTZEKL-UHFFFAOYSA-N;149.17;0.09;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_P2";;;;;;;-0.24;;-3.24;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM392915;MM392915;C=CC(C)C(O)C=CC;GNLQOVSHGKKSBZ-UHFFFAOYSA-N;126.2;1.75;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda_C3";;;;;;;2.57;;0.44;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM392916;MM392916;CCOCC(NC)C(=N)N;QRUBFOWHFGTRNT-UHFFFAOYSA-N;145.21;-0.45;;;;;DOPC;MDCG;27;1;"MARTINI bead: Na_P4";;;;;;;-1.19;;-7.81;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM392917;MM392917;C=CCC(O)C(C)=CC;DZMNWBJXNUQUME-UHFFFAOYSA-N;126.2;1.89;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_C4";;;;;;;2.97;;0.45;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM392918;MM392918;CCOCC(OC)C(=N)N;YZWXUNPHTHJREC-UHFFFAOYSA-N;146.19;-0.03;;;;;DOPC;MDCG;27;1;"MARTINI bead: Na_P2";;;;;;;-0.24;;-6.58;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM392919;MM392919;C=CC1(C)C(C=O)N1C;URBXYDSRKBMNND-UHFFFAOYSA-N;125.17;0.44;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_SNd";;;;;;;-0.24;;-3.16;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM392920;MM392920;CCOCC(OC)C(N)=O;WPGPFPDKDFMRMM-UHFFFAOYSA-N;147.17;-0.48;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_P2";;;;;;;-0.24;;-3.24;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM392921;MM392921;C=CNC(=NN)C(=C)F;BJRFJINIDLONKF-UHFFFAOYSA-N;129.14;0.47;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_C5";;;;;;;0.54;;-1.09;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM392922;MM392922;C=C(C)C(CC)NCCN;MCSHRSLYCXPEOG-UHFFFAOYSA-N;142.25;0.89;;;;;DOPC;MDCG;27;1;"MARTINI bead: C5_P2";;;;;;;0.54;;-3.54;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM392923;MM392923;C=C(F)C(=NN)N(C)N;CBJZKVCCASLPIC-UHFFFAOYSA-N;132.14;-0.45;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_C5";;;;;;;0.54;;-1.09;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM392924;MM392924;C=C(C)C(CC)NCCO;XHDTXHQQTMAIEF-UHFFFAOYSA-N;143.23;0.92;;;;;DOPC;MDCG;27;1;"MARTINI bead: C1_P3";;;;;;;0.94;;-1.92;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM392925;MM392925;CCc1nc(O)n(O)c1N;ABEJISXCDXCVIO-UHFFFAOYSA-N;143.15;-0.03;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNa_SP2";;;;;;;-0.24;;-3.24;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM392926;MM392926;C=C(C)C(CC)NCCF;GAWPVGJSTGHIBQ-UHFFFAOYSA-N;145.22;1.9;;;;;DOPC;MDCG;27;1;"MARTINI bead: C1_P2";;;;;;;1.8;;-0.17;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM392927;MM392927;Cn1c(O)nc(CO)c1O;UVBGJJKMZPJXIP-UHFFFAOYSA-N;144.13;-0.68;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP2_SP2";;;;;;;-1.34;;-4.31;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM392928;MM392928;C=C(C)C(CN)NCCC;SLFHKZCPDHHXRT-UHFFFAOYSA-N;142.25;0.89;;;;;DOPC;MDCG;27;1;"MARTINI bead: C5_P2";;;;;;;0.54;;-3.53;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM392929;MM392929;Nn1c(O)nc(CO)c1O;TYYSKTWNHIRAKE-UHFFFAOYSA-N;145.12;-1.5;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP2_SP2";;;;;;;-1.34;;-4.31;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM392930;MM392930;C=C(C)C(CN)NCCN;SXQJQUJSBWVJDJ-UHFFFAOYSA-N;143.23;-0.56;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_P4";;;;;;;-1.19;;-7.14;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM392931;MM392931;CNc1nc(O)n(O)c1C;PJQHVCOIAXMXQN-UHFFFAOYSA-N;143.15;0.18;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNda_SP1";;;;;;;0.04;;-2.73;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM392932;MM392932;C=C(C)C(CN)NCCF;CKGVBNYZQVPTSS-UHFFFAOYSA-N;146.21;0.45;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_P2";;;;;;;-0.24;;-5.12;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM392933;MM392933;N=C1NC(=NN)C=C1F;QYVHMMAZGOFNTE-UHFFFAOYSA-N;128.11;-0.31;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP1_SNda";;;;;;;0.04;;-2.73;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM392934;MM392934;C=C(C)C(CF)NCCC;DPIFFQXBJMHTOF-UHFFFAOYSA-N;145.22;1.9;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_C4";;;;;;;2.2;;-0.64;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM392935;MM392935;CNc1nc(O)n(O)c1N;MAFKAGZIUWKCOW-UHFFFAOYSA-N;144.13;-0.55;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNda_SP2";;;;;;;-0.24;;-3.31;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM392936;MM392936;C=C(C)C(CF)NCCN;CMXVXSMQVJNPQL-UHFFFAOYSA-N;146.21;0.45;;;;;DOPC;MDCG;27;1;"MARTINI bead: P2_Na";;;;;;;-0.24;;-5.23;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM392937;MM392937;Cn1nc(N)nnc1=N;QVAKDNFDASMPDU-UHFFFAOYSA-N;126.12;-1.73;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP2_SP3";;;;;;;-2.2;;-5.19;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM392938;MM392938;CCCNC(CC)C(=N)N;VWSXABUMTFKMIL-UHFFFAOYSA-N;143.23;0.7;;;;;DOPC;MDCG;27;1;"MARTINI bead: C4_P3";;;;;;;0.23;;-4.78;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM392939;MM392939;COc1nc(O)n(C)c1C;JIWUPAAYPHQJBI-UHFFFAOYSA-N;142.16;0.44;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNa_SP1";;;;;;;0.04;;-2.54;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM392940;MM392940;N=C(N)C(CO)NCCN;ZWXKSJZSKNNSKF-UHFFFAOYSA-N;146.19;-2.17;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1_P4";;;;;;;-2.01;;-8.24;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM392941;MM392941;COc1nc(C)n(O)c1O;KBMXZJXNXFVTCH-UHFFFAOYSA-N;144.13;0.14;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNa_SP1";;;;;;;0.04;;-2.54;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM392942;MM392942;NCCNC(CO)C(N)=O;BBCQWHMODZISKF-UHFFFAOYSA-N;147.18;-2.62;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1_P4";;;;;;;-2.01;;-6.8;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM392943;MM392943;CC1=CC(C#N)=C(N)C1O;RUMPRANHLYARJF-UHFFFAOYSA-N;136.15;0.04;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNd_SNda";;;;;;;0.87;;-1.92;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM392944;MM392944;C=C(C)C(CN)OCCN;MFZIAZZZVONVLU-UHFFFAOYSA-N;144.22;-0.13;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_P3";;;;;;;-1.1;;-6.25;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM392945;MM392945;Cc1cc(C=O)c(C)n1C;QCRYBEPPXKKXEW-UHFFFAOYSA-N;137.18;1.45;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNa_SC5";;;;;;;1.64;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM392946;MM392946;C=C(C)C(CF)OCCN;KHHSBLJSAXEFEQ-UHFFFAOYSA-N;147.19;0.88;;;;;DOPC;MDCG;27;1;"MARTINI bead: Na_P1";;;;;;;0.04;;-4.58;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM392947;MM392947;Cc1c(C#N)cc(N)n1C;KHOQSNVPPAAPMO-UHFFFAOYSA-N;135.17;0.79;;;;;DOPC;MDCG;27;0;"MARTINI bead: SN0_SNd";;;;;;;1.17;;-1.04;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM392948;MM392948;CCCOC(CO)C(=N)N;GJQGGVJSNMDEJV-UHFFFAOYSA-N;146.19;-0.29;;;;;DOPC;MDCG;27;1;"MARTINI bead: Na_P4";;;;;;;-1.19;;-7.82;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM392949;MM392949;Cc1c(C#N)cc(O)n1C;DDDCOZRZABJSAM-UHFFFAOYSA-N;136.15;0.91;;;;;DOPC;MDCG;27;0;"MARTINI bead: SN0_SNda";;;;;;;1.17;;-1.13;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM392950;MM392950;N=C(N)C(CO)OCCO;XIWFGTXGACRLLB-UHFFFAOYSA-N;148.16;-1.71;;;;;DOPC;MDCG;27;1;"MARTINI bead: P4_P1";;;;;;;-2.01;;-8.24;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM392951;MM392951;C=Cc1cc(N)n(N)c1C;JJVGLDLAWXLNHK-UHFFFAOYSA-N;137.19;0.74;;;;;DOPC;MDCG;27;0;"MARTINI bead: SN0_SP1";;;;;;;0.34;;-1.53;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM392952;MM392952;N=C(N)C(CO)OCCF;MVPNVWVOJICHBB-UHFFFAOYSA-N;150.15;-0.73;;;;;DOPC;MDCG;27;1;"MARTINI bead: P4_P2";;;;;;;-2.29;;-8.95;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM392953;MM392953;Cc1c(C#N)cc(O)n1O;COQJATQHAPTPLD-UHFFFAOYSA-N;138.13;0.61;;;;;DOPC;MDCG;27;0;"MARTINI bead: SN0_SNda";;;;;;;1.17;;-1.13;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM392954;MM392954;NCCOC(CO)C(N)=O;PQMMGJBMJSKBLH-UHFFFAOYSA-N;148.16;-2.19;;;;;DOPC;MDCG;27;1;"MARTINI bead: P3_P4";;;;;;;-3.15;;-8.57;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM392955;MM392955;Cn1c(F)cc(C#N)c1N;JTASFBMXQPESCL-UHFFFAOYSA-N;139.13;0.62;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNda_SN0";;;;;;;1.17;;-1.13;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM392956;MM392956;NC(=O)C(CO)OCCO;OELLDSGAZLBEBF-UHFFFAOYSA-N;149.15;-2.16;;;;;DOPC;MDCG;27;0;"MARTINI bead: P4_P1";;;;;;;-2.01;;-5.13;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM392957;MM392957;Cn1c(F)cc(C#N)c1O;UBJYOFRQANGDKM-UHFFFAOYSA-N;140.12;0.74;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNda_SN0";;;;;;;1.17;;-1.13;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM392958;MM392958;CCCOC(CF)C(N)=O;AMMMOGOEIOWYAF-UHFFFAOYSA-N;149.17;0.24;;;;;DOPC;MDCG;27;0;"MARTINI bead: C3_P3";;;;;;;0.6;;-0.8;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM392959;MM392959;Cc1cc(C#N)c(O)n1O;OGZVYANYMHVDBT-UHFFFAOYSA-N;138.13;0.61;;;;;DOPC;MDCG;27;0;"MARTINI bead: SN0_SNda";;;;;;;1.17;;-1.13;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM392960;MM392960;C=C(F)C(CO)OCCO;DYLUVSBEZOSNCE-UHFFFAOYSA-N;150.15;-0.16;;;;;DOPC;MDCG;27;0;"MARTINI bead: P3_C5";;;;;;;-0.33;;-2.01;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM392961;MM392961;Cn1c(O)cc(C=O)c1F;DVYLMFMZEKMWIP-UHFFFAOYSA-N;143.12;0.68;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNda_SNa";;;;;;;0.87;;-1.99;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM392962;MM392962;CCC(OCOC)C(=N)N;SJXKTCKDKHAHDC-UHFFFAOYSA-N;146.19;0.32;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_P2";;;;;;;-0.24;;-6.97;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM392963;MM392963;N#Cc1cc(N)n(O)c1F;MBJOXURVLNYEJT-UHFFFAOYSA-N;141.11;0.32;;;;;DOPC;MDCG;27;0;"MARTINI bead: SN0_SNda";;;;;;;1.17;;-1.13;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM392964;MM392964;COCOC(CO)C(=N)N;LWASBJRVTLOKAC-UHFFFAOYSA-N;148.16;-1.1;;;;;DOPC;MDCG;27;1;"MARTINI bead: P2_P3";;;;;;;-2.2;;-8.38;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM392965;MM392965;Cc1nc(C=O)c(C)n1C;UNAYMFSMRDJDGT-UHFFFAOYSA-N;138.17;0.85;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP1_SN0";;;;;;;0.34;;-1.53;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM392966;MM392966;COCOC(CO)C(N)=O;RZVPTNOMCCYMOC-UHFFFAOYSA-N;149.15;-1.55;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_P3";;;;;;;-2.2;;-5.19;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM392967;MM392967;C=Cc1nc(N)n(C)c1C;LASMJWISEHNUOY-UHFFFAOYSA-N;137.19;0.95;;;;;DOPC;MDCG;27;1;"MARTINI bead: SNa_SP1";;;;;;;0.04;;-3.63;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM392968;MM392968;C=C(F)C(CN)OCOC;JQVUUVCXWQEEOC-UHFFFAOYSA-N;149.17;0.42;;;;;DOPC;MDCG;27;1;"MARTINI bead: P3_C5";;;;;;;-0.33;;-3.93;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM392969;MM392969;Cc1cc(=NN)n(N)o1;WJLIBGPRKCOUDB-UHFFFAOYSA-N;128.14;-1.12;;;;;DOPC;MDCG;27;0;"MARTINI bead: SN0_SP2";;;;;;;0.06;;-2.21;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM392970;MM392970;CCCOC(OC)C(=N)N;HVXWYJFJLKQJFE-UHFFFAOYSA-N;146.19;0.32;;;;;DOPC;MDCG;27;1;"MARTINI bead: Na_P2";;;;;;;-0.24;;-5.67;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM392971;MM392971;C=Cc1nc(C)n(N)c1C;UOPFPHUDPKYJPS-UHFFFAOYSA-N;137.19;0.86;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNa_SNd";;;;;;;0.87;;-1.88;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM392972;MM392972;COC(OCCO)C(=N)N;SDHARHASMOHPNZ-UHFFFAOYSA-N;148.16;-1.1;;;;;DOPC;MDCG;27;1;"MARTINI bead: P2_P3";;;;;;;-2.2;;-7.59;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM392973;MM392973;Cc1nc(C=O)c(C)n1O;OWCIGAYFZAOYGE-UHFFFAOYSA-N;140.14;0.55;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP1_SNda";;;;;;;0.04;;-2.73;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM392974;MM392974;CCCOC(OC)C(N)=O;DCIOCXLDBNIRCV-UHFFFAOYSA-N;147.17;-0.13;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_P2";;;;;;;-0.24;;-3.24;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM392975;MM392975;Cn1c(N)nc(C#N)c1N;ZYKDJFAXGQBPPE-UHFFFAOYSA-N;137.15;-0.54;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP2_SNa";;;;;;;-0.24;;-3.24;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM392976;MM392976;COC(OCCN)C(N)=O;AHUWWASBGMAMRQ-UHFFFAOYSA-N;148.16;-1.58;;;;;DOPC;MDCG;27;1;"MARTINI bead: P2_P3";;;;;;;-2.2;;-6.91;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM392977;MM392977;NN=c1cc(F)on1N;MKVNCUWZAQXFSJ-UHFFFAOYSA-N;132.1;-1.29;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNa_SP2";;;;;;;-0.24;;-3.24;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM392978;MM392978;COC(OCCO)C(N)=O;FNHTWUVCELXDIT-UHFFFAOYSA-N;149.15;-1.55;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_P3";;;;;;;-2.2;;-5.19;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM392979;MM392979;CC1=C(C)C2(O)CC1C2;VROCDEWIQPFQSH-UHFFFAOYSA-N;124.18;1.48;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC3_SNda";;;;;;;2.57;;0.44;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM392980;MM392980;C=C(F)C(OC)OCCN;WAQJKMPJDXJHJE-UHFFFAOYSA-N;149.17;0.42;;;;;DOPC;MDCG;27;1;"MARTINI bead: P3_C5";;;;;;;-0.33;;-4.02;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM392981;MM392981;Cn1c(O)nc(C#N)c1N;MMKNYDYWRQLOJW-UHFFFAOYSA-N;138.13;-0.42;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP1_SNa";;;;;;;0.04;;-2.54;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM392982;MM392982;C=C(F)C(OC)OCCO;VIWBRTDDAFOVLP-UHFFFAOYSA-N;150.15;0.45;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_P1";;;;;;;0.04;;-2.54;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM392983;MM392983;N=c1cnon1C=NN;HTPILSXGPCUECD-UHFFFAOYSA-N;127.11;-1.29;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP3_SP1";;;;;;;-1.93;;-4.72;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM392984;MM392984;C=C(F)C(OC)OCCF;SZIHFDDMLLKSHF-UHFFFAOYSA-N;152.14;1.43;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_C5";;;;;;;0.81;;-0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM392985;MM392985;Cc1nc(C#N)c(N)n1O;BCFKGFSBRYLCKD-UHFFFAOYSA-N;138.13;-0.12;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNa_SP2";;;;;;;-0.24;;-3.24;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM392986;MM392986;COCOC(OC)C(=N)N;YKJWSXKCOMYWPR-UHFFFAOYSA-N;148.16;-0.48;;;;;DOPC;MDCG;27;1;"MARTINI bead: P2_P2";;;;;;;-1.34;;-6.69;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM392987;MM392987;N#Cc1nc(N)n(O)c1N;CIZPYNARVIWOQS-UHFFFAOYSA-N;139.12;-0.84;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNa_SP2";;;;;;;-0.24;;-3.24;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM392988;MM392988;CC(C(=O)O)=C(N)CF;SEDNIGYXPQONOX-UHFFFAOYSA-N;133.12;0.27;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_Nda";;;;;;;-0.24;;-7.33;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM392989;MM392989;C=Cc1nc(O)n(C)c1O;HRPSDAHMTQMXDB-UHFFFAOYSA-N;140.14;0.47;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP2_SNa";;;;;;;-0.24;;-3.24;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM392990;MM392990;CCCCN(CC)C(C)=N;JDUWUYUKYWGNIP-UHFFFAOYSA-N;142.25;2.11;;;;;DOPC;MDCG;27;1;"MARTINI bead: C3_Nd";;;;;;;2.57;;-3.73;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM392991;MM392991;Cn1c(O)nc(C#N)c1O;YBOAJJWOGMUROL-UHFFFAOYSA-N;139.11;-0.3;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP2_SNa";;;;;;;-0.24;;-3.24;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM392992;MM392992;CCCCN(CC)C(C)=O;OCEMJNHDGIPDDE-UHFFFAOYSA-N;143.23;1.65;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1_P1";;;;;;;2.08;;0.48;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM392993;MM392993;C=Cc1nc(O)n(N)c1O;RNZTVAAJLHUDHM-UHFFFAOYSA-N;141.13;-0.35;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP2_SNa";;;;;;;-0.24;;-3.24;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM392994;MM392994;CCN(CCCN)C(=N)N;SFKXSTJTEVDGMT-UHFFFAOYSA-N;144.22;-0.45;;;;;DOPC;MDCG;27;1;"MARTINI bead: P2_P1";;;;;;;-1.06;;-8.66;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM392995;MM392995;C=Cc1nc(C)n(O)c1O;XNWZWSXDWOERDV-UHFFFAOYSA-N;140.14;0.78;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNa_SP1";;;;;;;0.04;;-2.54;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM392996;MM392996;CCN(CCCO)C(=N)N;YJWGEPRKIMSOAU-UHFFFAOYSA-N;145.21;-0.42;;;;;DOPC;MDCG;27;1;"MARTINI bead: P2_P1";;;;;;;-1.06;;-8.63;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM392997;MM392997;C=Cc1nc(O)n(C)c1F;IQBCZWMVNQNHHQ-UHFFFAOYSA-N;142.13;0.91;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNda_SNa";;;;;;;0.87;;-1.99;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM392998;MM392998;CCN(CCCF)C(=N)N;ZJTBILBGNKXPSC-UHFFFAOYSA-N;147.2;0.56;;;;;DOPC;MDCG;27;1;"MARTINI bead: P2_C5";;;;;;;0.54;;-5.96;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM392999;MM392999;C=Cc1nc(N)n(O)c1F;VOJZKVMHSPNEPU-UHFFFAOYSA-N;143.12;0.48;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNa_SP1";;;;;;;0.04;;-2.54;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM393000;MM393000;CCN(CCCN)C(N)=O;IGHMGZCAVZGIRE-UHFFFAOYSA-N;145.21;-0.26;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1_P1";;;;;;;-0.79;;-5.5;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM393001;MM393001;C#Cc1cc(N)n(C)c1C;KJTZVBHQUAVJIL-UHFFFAOYSA-N;134.18;0.9;;;;;DOPC;MDCG;27;0;"MARTINI bead: SN0_SNd";;;;;;;1.17;;-1.04;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM393002;MM393002;CCN(CCCO)C(N)=O;JOXIXTCZXDJMNY-UHFFFAOYSA-N;146.19;-0.23;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_P1";;;;;;;-0.79;;-3.13;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM393003;MM393003;C#Cc1cc(C)n(N)c1C;IMFZTSGKOSEULS-UHFFFAOYSA-N;134.18;0.8;;;;;DOPC;MDCG;27;0;"MARTINI bead: SN0_SNd";;;;;;;1.17;;-1.04;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM393004;MM393004;CCN(CCNC)C(C)=O;JSLOQAHLXYSTCK-UHFFFAOYSA-N;144.22;0.07;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nda_P1";;;;;;;0.04;;-4.88;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM393005;MM393005;C#Cc1cc(C)n(O)c1C;FMDOTRHMMGTLBD-UHFFFAOYSA-N;135.17;1.32;;;;;DOPC;MDCG;27;0;"MARTINI bead: SN0_SNda";;;;;;;1.17;;-1.13;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM393006;MM393006;CCN(CCNC)C(=N)N;IOIPMGXLKSRKAG-UHFFFAOYSA-N;144.22;-0.58;;;;;DOPC;MDCG;27;1;"MARTINI bead: P2_P1";;;;;;;-1.06;;-8.6;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM393007;MM393007;C#Cc1cc(C)n(N)c1N;PJQVJHCXHCXFEZ-UHFFFAOYSA-N;135.17;0.07;;;;;DOPC;MDCG;27;0;"MARTINI bead: SN0_SP1";;;;;;;0.34;;-1.53;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM393008;MM393008;CCN(CCOC)C(=N)N;WCDNCPFNBCSULB-UHFFFAOYSA-N;145.21;-0.15;;;;;DOPC;MDCG;27;1;"MARTINI bead: Na_P2";;;;;;;-0.24;;-7.94;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM393009;MM393009;CC1CC1NN=CC=O;ZURWWKAMSUHDDP-UHFFFAOYSA-N;126.16;0.17;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNd_P2";;;;;;;-0.24;;-3.16;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM393010;MM393010;CCN(CCOC)C(N)=O;GPLLBCUFTYUPEU-UHFFFAOYSA-N;146.19;0.03;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_P2";;;;;;;-0.24;;-3.24;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM393011;MM393011;C#Cc1cc(C)n(N)c1O;SYODPZCVWUSHAT-UHFFFAOYSA-N;136.15;0.2;;;;;DOPC;MDCG;27;0;"MARTINI bead: SN0_SNda";;;;;;;1.17;;-1.13;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM393012;MM393012;CNN(CCCF)C(C)=N;CGCFGVRFZURSOR-UHFFFAOYSA-N;147.2;0.78;;;;;DOPC;MDCG;27;1;"MARTINI bead: P2_Nda";;;;;;;-0.24;;-6.55;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM393013;MM393013;C#Cc1cc(F)n(N)c1O;MACFPOLKTRHBNO-UHFFFAOYSA-N;140.12;0.03;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNda_SN0";;;;;;;1.17;;-1.13;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM393014;MM393014;CNN(CCCN)C(N)=O;QIPCIBXERVCFQC-UHFFFAOYSA-N;146.19;-1.15;;;;;DOPC;MDCG;27;1;"MARTINI bead: P3_P1";;;;;;;-1.93;;-7.04;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM393015;MM393015;C#Cc1cc(N)n(O)c1O;FONFFRYDSULIEM-UHFFFAOYSA-N;138.13;-0.01;;;;;DOPC;MDCG;27;0;"MARTINI bead: SN0_SP1";;;;;;;0.34;;-1.53;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM393016;MM393016;Cn1ccoc1=NN;NXZYOXOIDRSKIV-UHFFFAOYSA-N;113.12;-0.61;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP1_SP1";;;;;;;-0.79;;-3.13;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM393017;MM393017;C#Cc1cc(F)n(O)c1O;PFJSKUHEFXFIJH-UHFFFAOYSA-N;141.1;0.55;;;;;DOPC;MDCG;27;0;"MARTINI bead: SN0_SNda";;;;;;;1.17;;-1.13;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM393018;MM393018;CNCCN(NC)C(=N)N;VHQRXJZGUZUMLE-UHFFFAOYSA-N;145.21;-1.46;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1_P4";;;;;;;-2.01;;-8.77;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM393019;MM393019;C#Cc1cc(O)n(C)c1F;WTATVZVAAPKZIC-UHFFFAOYSA-N;139.13;0.85;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNda_SN0";;;;;;;1.17;;-1.13;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM393020;MM393020;CNCCN(NC)C(N)=O;OGPNYVUMUXXXCP-UHFFFAOYSA-N;146.19;-1.28;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1_P3";;;;;;;-1.93;;-6.48;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM393021;MM393021;C#Cc1cc(F)n(C)c1F;DFKASTVALGEWDL-UHFFFAOYSA-N;141.12;1.28;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC5_SN0";;;;;;;1.94;;0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM393022;MM393022;CNN(CCOC)C(=N)N;SHEACTOHGHIVIN-UHFFFAOYSA-N;146.19;-1.04;;;;;DOPC;MDCG;27;1;"MARTINI bead: P4_P1";;;;;;;-2.01;;-8.72;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM393023;MM393023;C#Cc1cc(N)n(O)c1F;CXLCQKLIFYXLPF-UHFFFAOYSA-N;140.12;0.43;;;;;DOPC;MDCG;27;0;"MARTINI bead: SN0_SNda";;;;;;;1.17;;-1.13;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM393024;MM393024;OC12CC3CC3C1C2;LHFWYDPQAZJWLZ-UHFFFAOYSA-N;110.16;0.78;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNda_SC4";;;;;;;2.2;;0.49;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM393025;MM393025;C#Cc1cc(O)n(O)c1F;QWZQLTGVURULTF-UHFFFAOYSA-N;141.1;0.55;;;;;DOPC;MDCG;27;0;"MARTINI bead: SN0_SNda";;;;;;;1.17;;-1.13;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM393026;MM393026;CON(CCCN)C(C)=O;PUAFURSHOWQRQO-UHFFFAOYSA-N;146.19;-0.25;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1_P1";;;;;;;-0.79;;-5.49;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM393027;MM393027;C=CCN1CC1C(C)=O;XWZLTQUYZLNYTR-UHFFFAOYSA-N;125.17;0.45;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_SNd";;;;;;;0.87;;-1.88;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM393028;MM393028;CON(CCCO)C(C)=O;PUKHQDBRQWSVBX-UHFFFAOYSA-N;147.17;-0.22;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_P1";;;;;;;-0.79;;-3.13;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM393029;MM393029;C=CC(O)C(C=C)CC;AGLMVIHDEKZHRS-UHFFFAOYSA-N;126.2;1.75;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1_Nda";;;;;;;2.91;;0.57;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM393030;MM393030;CON(CCCO)C(N)=O;QECOMWSJTPTKRD-UHFFFAOYSA-N;148.16;-0.69;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_P1";;;;;;;-1.06;;-3.82;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM393031;MM393031;CCC(F)C(=NN)NN;CRUTYYRCCYRJOJ-UHFFFAOYSA-N;134.16;-0.53;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4_P4";;;;;;;0.15;;-2.18;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM393032;MM393032;CNCCN(OC)C(N)=O;JQMLCVMFIQEBES-UHFFFAOYSA-N;147.18;-0.85;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1_P2";;;;;;;-1.06;;-5.74;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM393033;MM393033;CN=C(N=CNN)OC;CCFWLTZZDVJHED-UHFFFAOYSA-N;130.15;-0.89;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_P3";;;;;;;-1.1;;-4.2;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM393034;MM393034;COCCN(OC)C(=N)N;SKLIVIXSJVXJOO-UHFFFAOYSA-N;147.18;-0.61;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1_P2";;;;;;;-1.06;;-6.54;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM393035;MM393035;C#Cc1nc(C)n(N)c1N;ZWCHAFDHBOXPRW-UHFFFAOYSA-N;136.16;-0.53;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNa_SP1";;;;;;;0.04;;-2.54;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM393036;MM393036;CCCNN(CC)C(C)=N;OTOTZERPBSNWKH-UHFFFAOYSA-N;143.23;1.22;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_Nd";;;;;;;0.87;;-5.51;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM393037;MM393037;C#Cc1nc(O)n(O)c1N;QCYSOCDXEWRMIQ-UHFFFAOYSA-N;139.11;-0.61;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNa_SP2";;;;;;;-0.24;;-3.24;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM393038;MM393038;CCCNN(CC)C(=N)N;USBZXPPWRPJROD-UHFFFAOYSA-N;144.22;0.12;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_P2";;;;;;;-0.24;;-7.65;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM393039;MM393039;C#Cc1nc(C)n(O)c1O;VCYYMAFIUKIUSC-UHFFFAOYSA-N;138.13;0.12;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNa_SP1";;;;;;;0.04;;-2.54;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM393040;MM393040;CCN(OCCF)C(C)=O;PBEQGPKOEFZGBD-UHFFFAOYSA-N;149.17;0.76;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_C5";;;;;;;0.54;;-1.09;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM393041;MM393041;C#Cc1nc(N)n(O)c1O;NTKMXSCBEJQWLF-UHFFFAOYSA-N;139.11;-0.61;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNa_SP2";;;;;;;-0.24;;-3.24;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM393042;MM393042;CCN(OCCO)C(=N)N;AGMYEYHVCJODIY-UHFFFAOYSA-N;147.18;-0.87;;;;;DOPC;MDCG;27;1;"MARTINI bead: P2_P1";;;;;;;-1.06;;-6.84;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM393043;MM393043;C#Cc1nc(O)n(C)c1F;MGBGMCHTBWMEDG-UHFFFAOYSA-N;140.12;0.25;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNda_SNa";;;;;;;0.87;;-1.99;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM393044;MM393044;CCCON(CC)C(N)=O;YCHZVBWLKJNIHY-UHFFFAOYSA-N;146.19;0.73;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_P1";;;;;;;0.81;;-0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM393045;MM393045;C=C1C(C)=CC(CC)=C1C;SSJAFRXPBNTBCM-UHFFFAOYSA-N;134.22;3.23;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC1_SC4";;;;;;;4.24;;0.42;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM393046;MM393046;CCN(OCCO)C(N)=O;RABKCXZEPBGPCX-UHFFFAOYSA-N;148.16;-0.69;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_P1";;;;;;;-1.06;;-3.82;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM393047;MM393047;C=C1C(C)=CC(CN)=C1C;YNJIBYRLHPMARH-UHFFFAOYSA-N;135.21;1.78;;;;;DOPC;MDCG;27;1;"MARTINI bead: SNd_SC4";;;;;;;2.2;;-1.61;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM393048;MM393048;CCC(CCC=O)C(=N)N;PZZLJRUNIAZZSN-UHFFFAOYSA-N;142.2;0.93;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_Na";;;;;;;0.87;;-7.07;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM393049;MM393049;CCC1=C(C)C(=O)C(C)=C1;JGVARNCJLDSLLJ-UHFFFAOYSA-N;136.19;2.24;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC1_SNa";;;;;;;2.91;;0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM393050;MM393050;C=CCCC(CN)C(=N)N;YYXVGLCBMHJWDU-UHFFFAOYSA-N;141.22;0.46;;;;;DOPC;MDCG;27;1;"MARTINI bead: P2_Nd";;;;;;;-0.24;;-7.88;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM393051;MM393051;CNC1=C(C)C(=O)C(C)=C1;GIQAAZJATQKUFQ-UHFFFAOYSA-N;137.18;1.01;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC5_SNa";;;;;;;1.64;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM393052;MM393052;N#CCCC(CO)C(=N)N;LVVQMIYUVKRZLX-UHFFFAOYSA-N;141.17;-0.17;;;;;DOPC;MDCG;27;1;"MARTINI bead: P3_Nda";;;;;;;-1.1;;-7.98;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM393053;MM393053;C=C1C(C)=CC(OC)=C1C;KXHJRJJQROKJQT-UHFFFAOYSA-N;136.19;2.42;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC4_SC4";;;;;;;3.53;;0.53;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM393054;MM393054;C=CCCC(CF)C(=N)N;GKVKEVGRTAPRAH-UHFFFAOYSA-N;144.19;1.47;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_Na";;;;;;;0.87;;-6.47;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM393055;MM393055;NN=C1COC(=CF)N1;LYZCESRQURMVGY-UHFFFAOYSA-N;131.11;-0.35;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP2_SNda";;;;;;;-0.24;;-3.31;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM393056;MM393056;C=CCCC(CF)C(N)=O;FKDOQDPUTXDGFX-UHFFFAOYSA-N;145.18;1.02;;;;;DOPC;MDCG;27;0;"MARTINI bead: P3_C1";;;;;;;0.94;;0.03;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM393057;MM393057;C=CC1=C(C)C(=C)C(C)=C1;GFGIGXVDHRXXKZ-UHFFFAOYSA-N;132.21;3.01;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC3_SC4";;;;;;;3.9;;0.47;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM393058;MM393058;NC(=O)C(CF)CCC=O;PUWVHJJWAWZYHY-UHFFFAOYSA-N;147.15;0.04;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_Na";;;;;;;-0.24;;-3.24;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM393059;MM393059;C=C1C(C)=CC(C=O)=C1C;AOVGSTSLRWSMHA-UHFFFAOYSA-N;134.18;2.02;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNa_SC4";;;;;;;2.2;;0.34;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM393060;MM393060;C=CCCC(CF)C(=O)O;GUWCOEOCCVNACY-UHFFFAOYSA-N;146.16;1.62;;;;;DOPC;MDCG;27;-1;"MARTINI bead: P1_C3";;;;;;;1.74;;-2.04;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM393061;MM393061;C=CC1=C(C)C(=O)C(C)=C1;DXUDMROJJPDDLQ-UHFFFAOYSA-N;134.18;2.02;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC3_SNa";;;;;;;2.57;;0.45;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM393062;MM393062;C=CCCC(NC)C(=C)C;SUIAQIUYEZWXTA-UHFFFAOYSA-N;139.24;2.12;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_C3";;;;;;;2.57;;-1.42;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM393063;MM393063;C=CC1CC(OC)=NN1;SISKRCNYRZDPLE-UHFFFAOYSA-N;126.16;0.49;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP1_SNd";;;;;;;0.04;;-2.63;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM393064;MM393064;C=C(C)C(CCC=O)NC;FFIXRTYKKDIDDO-UHFFFAOYSA-N;141.21;1.13;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_Na";;;;;;;0.87;;-4.28;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM393065;MM393065;C=CC1=C(C)C(=O)C(C)=N1;PUZCXPUNFHEALB-UHFFFAOYSA-N;135.17;1.49;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC4_SNa";;;;;;;2.2;;0.34;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM393066;MM393066;CNC(CCC=O)C(N)=O;RJXUKMNPTRSBMU-UHFFFAOYSA-N;144.17;-0.96;;;;;DOPC;MDCG;27;1;"MARTINI bead: P5_Na";;;;;;;-1.11;;-6.81;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM393067;MM393067;CC1=NC(C=O)=C(C)C1=O;ILUILHJQMGBSND-UHFFFAOYSA-N;137.14;0.5;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNa_SNa";;;;;;;0.87;;-2.22;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM393068;MM393068;C=CCCC(OC)C(C)=O;DNQDSRGYVQDDGY-UHFFFAOYSA-N;142.2;1.56;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_C3";;;;;;;1.74;;0.29;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM393069;MM393069;C#CC1=C(C)C(=C)C(C)=C1;LKNMYIQZUKMJLG-UHFFFAOYSA-N;130.19;2.45;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC5_SC4";;;;;;;2.97;;0.45;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM393070;MM393070;CC(=O)C(CO)CN=CN;VMWQKXDBZBQOBC-UHFFFAOYSA-N;144.17;-0.83;;;;;DOPC;MDCG;27;1;"MARTINI bead: P2_P2";;;;;;;-1.34;;-7.67;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM393071;MM393071;C#CC1=C(C)C(=O)C(C)=C1;PLVFHPQCWLZPFV-UHFFFAOYSA-N;132.16;1.47;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC5_SNa";;;;;;;1.64;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM393072;MM393072;CC(C)CC(C)C(C)O;VGGMROOHXNLMTP-UHFFFAOYSA-N;130.23;2.05;;;;;DOPC;MDCG;27;0;"MARTINI bead: C3_Nda";;;;;;;2.57;;0.44;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM393073;MM393073;CCC1=C(C)C(F)=C(C)C1;CWQZAXMYUOANGC-UHFFFAOYSA-N;140.2;3.36;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC1_SC4";;;;;;;4.24;;0.42;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM393074;MM393074;C=NNCC(CN)C(=C)F;QYAARCVARGWOEV-UHFFFAOYSA-N;145.18;0.25;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nda_P1";;;;;;;0.04;;-5.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM393075;MM393075;CCc1[nH]c(C)c(C)c1C;COLWCZJTSIGRQI-UHFFFAOYSA-N;137.23;2.5;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC4_SC5";;;;;;;2.97;;0.45;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM393076;MM393076;C=C(C)C(CNC=N)NC;HWEXXJWVNQXWNY-UHFFFAOYSA-N;141.22;0.35;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_P3";;;;;;;-1.1;;-7.8;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM393077;MM393077;Cc1[nH]c(CN)c(C)c1C;DNXJSCWPEUSWIN-UHFFFAOYSA-N;138.21;1.4;;;;;DOPC;MDCG;27;1;"MARTINI bead: SP1_SC5";;;;;;;0.81;;-2.01;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM393078;MM393078;C=C(C)C(CNC=O)NC;YMLIBDSEZGOBTG-UHFFFAOYSA-N;142.2;-0.1;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_P3";;;;;;;-1.1;;-5.63;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM393079;MM393079;Cc1[nH]c(CO)c(C)c1C;ZGOYAZACEFOHMF-UHFFFAOYSA-N;139.2;1.43;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNda_SC5";;;;;;;1.64;;0.05;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM393080;MM393080;CNC(CNC=O)C(=N)N;GPOXERWMQCOGSR-UHFFFAOYSA-N;144.18;-1.74;;;;;DOPC;MDCG;27;1;"MARTINI bead: P4_P3";;;;;;;-3.15;;-9.98;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM393081;MM393081;Cc1c(N)[nH]c(CN)c1C;LVVJXKUGUAPHNE-UHFFFAOYSA-N;139.2;0.67;;;;;DOPC;MDCG;27;1;"MARTINI bead: SNd_SP1";;;;;;;0.04;;-4.26;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM393082;MM393082;COC(CNC=N)C(=N)N;RKIPWIKEHAUOKA-UHFFFAOYSA-N;144.18;-0.87;;;;;DOPC;MDCG;27;1;"MARTINI bead: P2_P3";;;;;;;-2.2;;-8.88;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM393083;MM393083;Cc1c(CN)[nH]c(O)c1N;OGQMBWJBEJXRLW-UHFFFAOYSA-N;141.17;0.07;;;;;DOPC;MDCG;27;1;"MARTINI bead: SNda_SP1";;;;;;;0.04;;-3.85;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM393084;MM393084;COC(CNC=O)C(=N)N;FWQVGGNQIVESDR-UHFFFAOYSA-N;145.16;-1.32;;;;;DOPC;MDCG;27;1;"MARTINI bead: P2_P3";;;;;;;-2.2;;-8.62;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM393085;MM393085;CCc1[nH]c(O)c(O)c1C;VJBGLCVELCBTBK-UHFFFAOYSA-N;141.17;1.3;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC5_SNda";;;;;;;1.64;;0.05;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM393086;MM393086;COC(CN=CN)C(N)=O;FGPAUGDAHMAKSZ-UHFFFAOYSA-N;145.16;-1.53;;;;;DOPC;MDCG;27;1;"MARTINI bead: P2_P2";;;;;;;-1.34;;-7.14;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM393087;MM393087;NN=c1ccnnn1N;YIUJNEWMDAZPMF-UHFFFAOYSA-N;126.12;-2.23;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP2_SP2";;;;;;;-1.34;;-4.31;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM393088;MM393088;COC(CNC=O)C(N)=O;DBZKZZVIHUOPMA-UHFFFAOYSA-N;146.15;-1.77;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_P3";;;;;;;-2.2;;-5.19;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM393089;MM393089;CCc1[nH]c(F)c(F)c1N;ULMOKCNFXCIUSW-UHFFFAOYSA-N;146.14;1.44;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC5_SNda";;;;;;;1.64;;0.05;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM393090;MM393090;C=NNCC(OC)C(=N)N;WNJCGTZLVYPLES-UHFFFAOYSA-N;144.18;-0.86;;;;;DOPC;MDCG;27;1;"MARTINI bead: P2_P2";;;;;;;-1.34;;-7.86;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM393091;MM393091;CNc1[nH]c(C)c(N)c1N;MAPSTXVYYWOFNV-UHFFFAOYSA-N;140.19;0.53;;;;;DOPC;MDCG;27;1;"MARTINI bead: SNd_SP1";;;;;;;0.04;;-4.29;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM393092;MM393092;CC1(C)COC(=NN)N1;KGEOSXLJZWOXDK-UHFFFAOYSA-N;129.16;-0.39;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP1_SP2";;;;;;;-1.06;;-3.82;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM393093;MM393093;CNc1[nH]c(C)c(O)c1N;CVAOMVGAUGGINM-UHFFFAOYSA-N;141.17;0.65;;;;;DOPC;MDCG;27;1;"MARTINI bead: SNd_SNda";;;;;;;0.87;;-3.15;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM393094;MM393094;CC(=O)C(CO)COC=O;KSBWEYHOFQGOQQ-UHFFFAOYSA-N;146.14;-0.64;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_P1";;;;;;;-1.06;;-3.82;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM393095;MM393095;CCOCC1NC1C=O;VHVIMFXRGQXOKU-UHFFFAOYSA-N;129.16;-0.44;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_SP2";;;;;;;-0.24;;-3.24;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM393096;MM393096;C=COCC(CO)C(=N)N;APACHVHURXAPOZ-UHFFFAOYSA-N;144.17;-0.31;;;;;DOPC;MDCG;27;1;"MARTINI bead: P4_Na";;;;;;;-1.19;;-8.23;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM393097;MM393097;COc1[nH]c(O)c(F)c1N;DGFBMEXJVBQYRJ-UHFFFAOYSA-N;146.12;0.45;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNda_SNda";;;;;;;0.87;;-2.07;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM393098;MM393098;C=COCC(CO)C(N)=O;GCUUQKXLGBMJGF-UHFFFAOYSA-N;145.16;-0.76;;;;;DOPC;MDCG;27;0;"MARTINI bead: P4_Na";;;;;;;-1.19;;-4.76;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM393099;MM393099;CCc1oc(N)c(N)c1C;SFIZWIKAPLUSSC-UHFFFAOYSA-N;140.19;1.31;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC4_SNd";;;;;;;2.2;;0.32;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM393100;MM393100;CC1(C)CNC(=NN)O1;FZCQNOMPVFTCKV-UHFFFAOYSA-N;129.16;-0.39;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP1_SP2";;;;;;;-1.06;;-3.82;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM393101;MM393101;Cc1oc(CO)c(C)c1F;WGBRTMOBPOCLGE-UHFFFAOYSA-N;144.15;1.53;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNda_SC5";;;;;;;1.64;;0.05;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM393102;MM393102;C=NOCC(CO)C(=N)N;PNPAIJDIZHFURF-UHFFFAOYSA-N;145.16;-0.84;;;;;DOPC;MDCG;27;1;"MARTINI bead: P4_P1";;;;;;;-2.01;;-8.66;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM393103;MM393103;CCc1oc(F)c(C)c1N;BYYFNLZJPGSNNN-UHFFFAOYSA-N;143.16;1.87;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC4_SNda";;;;;;;2.2;;0.49;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM393104;MM393104;CN=CN=C(NN)C(=O)O;RNKBGBUKFOQSJC-UHFFFAOYSA-N;144.13;-1.41;;;;;DOPC;MDCG;27;0;"MARTINI bead: N0_P3";;;;;;;-0.8;;-6.84;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM393105;MM393105;CCc1oc(C)c(N)c1N;HHXNIWCGGFGVST-UHFFFAOYSA-N;140.19;1.31;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC4_SP1";;;;;;;1.37;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM393106;MM393106;C=COCC(NC)C(=C)C;KRTFWXXNDPYAMS-UHFFFAOYSA-N;141.21;1.31;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_Na";;;;;;;0.87;;-3.73;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM393107;MM393107;CCc1oc(F)c(N)c1N;MPRCZMRZCQTIHX-UHFFFAOYSA-N;144.15;1.15;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC4_SNda";;;;;;;2.2;;0.49;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM393108;MM393108;C=COCC(NC)C(=N)N;BOFTXYDFHUKBIT-UHFFFAOYSA-N;143.19;-0.33;;;;;DOPC;MDCG;27;1;"MARTINI bead: P4_Na";;;;;;;-1.19;;-7.81;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM393109;MM393109;C=CC(N)=C(C)C(=O)O;SUELRQPHQPDIQL-UHFFFAOYSA-N;127.14;0.49;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_P1";;;;;;;0.81;;-4.98;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM393110;MM393110;C=COCC(OC)C(=N)N;SXNXDDQRIVFQLF-UHFFFAOYSA-N;144.17;0.1;;;;;DOPC;MDCG;27;1;"MARTINI bead: P2_Na";;;;;;;-0.24;;-6.56;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM393111;MM393111;C#CC(C)=CC(=O)C(=O)O;YTVUVBUVYLMAGM-UHFFFAOYSA-N;138.12;0.22;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_P2";;;;;;;0.54;;-5.51;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM393112;MM393112;COC(COC=O)C(=N)N;XNVHYWJIMCNRLH-UHFFFAOYSA-N;146.15;-0.89;;;;;DOPC;MDCG;27;1;"MARTINI bead: P2_P1";;;;;;;-1.06;;-7.14;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM393113;MM393113;CNc1oc(C)c(N)c1N;AHOGIQQTXJEAOZ-UHFFFAOYSA-N;141.17;0.79;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNd_SP1";;;;;;;0.04;;-2.63;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM393114;MM393114;C=COCC(OC)C(N)=O;LKFPOOOTNALKON-UHFFFAOYSA-N;145.16;-0.35;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_Na";;;;;;;-0.24;;-3.24;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM393115;MM393115;Cn1occ(N)c1=NN;INLMDUKHFYFVON-UHFFFAOYSA-N;128.14;-1.03;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP1_SP1";;;;;;;-0.79;;-3.13;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM393116;MM393116;COC(COC=O)C(N)=O;NMYBRMFIQDBOFE-UHFFFAOYSA-N;147.13;-1.34;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_P1";;;;;;;-1.06;;-3.82;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM393117;MM393117;C=CC1=C(C)C(F)=C(C)C1;NHFWTUKFSNKTHR-UHFFFAOYSA-N;138.19;3.14;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC4_SC3";;;;;;;3.9;;0.47;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM393118;MM393118;CCC(O)CCC(C)C;MNBIBGDICHMQFN-UHFFFAOYSA-N;130.23;2.19;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda_C1";;;;;;;2.91;;0.57;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM393119;MM393119;Cc1con(N)c1=NN;FQPCGXVOMPZOMZ-UHFFFAOYSA-N;128.14;-1.12;;;;;DOPC;MDCG;27;0;"MARTINI bead: SN0_SP2";;;;;;;0.06;;-2.21;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM393120;MM393120;C=C(C)C(CF)NCC#N;NBAWRHRBNWKUBM-UHFFFAOYSA-N;142.18;1.01;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4_P3";;;;;;;0.23;;-1.03;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM393121;MM393121;CN(N)C(=NN)C(C)(C)F;NLRJZTUYMAZTFE-UHFFFAOYSA-N;148.19;-0.19;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_C5";;;;;;;0.54;;-1.09;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM393122;MM393122;CC(=O)ON=C(N)C#N;HDHIBGFVRPNQHM-UHFFFAOYSA-N;127.1;-0.65;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_P2";;;;;;;-0.24;;-3.24;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM393123;MM393123;C=Cc1[nH]c(N)c(O)c1C;MIJAGWPQNLKDLC-UHFFFAOYSA-N;138.17;1.25;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNda_SNd";;;;;;;0.87;;-1.92;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM393124;MM393124;C=CCNC(CC)C(=N)N;WEOGCQSMUNEJGN-UHFFFAOYSA-N;141.22;0.48;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_P1";;;;;;;0.04;;-6.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM393125;MM393125;Cc1c(C=O)[nH]c(N)c1O;OQIFNVDYAOYQLT-UHFFFAOYSA-N;140.14;0.42;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNda_SNda";;;;;;;0.87;;-2.07;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM393126;MM393126;C=CCNC(CO)C(=N)N;PBKJVHLOJBERCZ-UHFFFAOYSA-N;143.19;-0.94;;;;;DOPC;MDCG;27;1;"MARTINI bead: P4_P1";;;;;;;-2.01;;-8.23;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM393127;MM393127;C=Cc1[nH]c(O)c(O)c1C;CEYZXOJQJVZENZ-UHFFFAOYSA-N;139.15;1.38;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNda_SNd";;;;;;;0.87;;-1.92;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM393128;MM393128;N=C(N)C(CO)NCC=O;PSCLZHYTZYFANE-UHFFFAOYSA-N;145.16;-1.93;;;;;DOPC;MDCG;27;1;"MARTINI bead: P3_P3";;;;;;;-3.07;;-9.35;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM393129;MM393129;Cc1[nH]c(C#N)c(C)c1F;WYPPKCURWKWKRU-UHFFFAOYSA-N;138.15;1.64;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNd_SC5";;;;;;;1.64;;0.02;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM393130;MM393130;N#CCNC(CO)C(=N)N;FUJMBQBZUNMWSK-UHFFFAOYSA-N;142.16;-1.6;;;;;DOPC;MDCG;27;1;"MARTINI bead: P4_P1";;;;;;;-2.01;;-8.22;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM393131;MM393131;CC(C)(O)CCC#CCF;ACPFKERKFOZHOV-UHFFFAOYSA-N;144.19;1.51;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_Na";;;;;;;1.64;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM393132;MM393132;C#CC1(C)CC1C(C)O;UHVAMONMYKEQHA-UHFFFAOYSA-N;124.18;1.03;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_SC5";;;;;;;0.81;;-0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM393133;MM393133;N#Cc1[nH]c(F)c(F)c1N;TVZDWBKRVJFQFP-UHFFFAOYSA-N;143.1;0.75;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNda_SNd";;;;;;;0.87;;-1.92;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM393134;MM393134;C#CC1(C)NC1C(C)=O;XNEOFIGBPDBAKS-UHFFFAOYSA-N;123.16;-0.06;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_SP1";;;;;;;0.04;;-2.54;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM393135;MM393135;C=Cc1[nH]c(O)c(C)c1O;VCCKEKMZVRGNNS-UHFFFAOYSA-N;139.15;1.38;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNda_SNd";;;;;;;0.87;;-1.92;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM393136;MM393136;C#CC1(C)CCC(O)C1;LQCKWVROVFQNIY-UHFFFAOYSA-N;124.18;1.17;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC3_SNda";;;;;;;2.57;;0.44;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM393137;MM393137;CC(=O)C(CF)NN=CN;BRLZPARSVKSFND-UHFFFAOYSA-N;147.15;-0.59;;;;;DOPC;MDCG;27;1;"MARTINI bead: Na_P2";;;;;;;-0.24;;-4.66;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM393138;MM393138;Cc1oc(C=O)c(C)c1C;MHDALBBSPUFMJD-UHFFFAOYSA-N;138.17;2.02;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNa_SC4";;;;;;;2.2;;0.34;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM393139;MM393139;NC=NNC(CN)C(N)=O;SGHFIVDHJNSMMT-UHFFFAOYSA-N;145.17;-2.71;;;;;DOPC;MDCG;27;1;"MARTINI bead: P2_P3";;;;;;;-2.2;;-6.64;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM393140;MM393140;C=Cc1oc(N)c(N)c1C;LDGDWBQCCVOBCB-UHFFFAOYSA-N;138.17;1.4;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNd_SC5";;;;;;;1.64;;0.02;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM393141;MM393141;C=CCOC(CN)C(=C)C;IWNZSACJJODWAL-UHFFFAOYSA-N;141.21;1.09;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_Na";;;;;;;0.87;;-3.91;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM393142;MM393142;O=C(O)C(=O)NC=CCF;KPSOQFMONUZTDD-UHFFFAOYSA-N;147.11;-0.33;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_Nda";;;;;;;-0.24;;-7.74;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM393143;MM393143;C=C(C)C(CF)OCC=O;DAGSUTWIAMMIPC-UHFFFAOYSA-N;146.16;1.12;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_Na";;;;;;;0.87;;-2.22;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM393144;MM393144;O=Cn1[nH]cc(F)c1=O;MKPDWYDGSGTYSV-UHFFFAOYSA-N;130.08;-0.65;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNa_SP3";;;;;;;-1.1;;-8.36;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM393145;MM393145;C=CCOC(CO)C(C)=O;QBPBJUZZHVQRMK-UHFFFAOYSA-N;144.17;0.14;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_Na";;;;;;;-0.24;;-3.24;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM393146;MM393146;C=Cc1oc(C)c(F)c1C;WSYJPTMVCRTURJ-UHFFFAOYSA-N;140.16;2.68;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC5_SC5";;;;;;;2.41;;0.64;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM393147;MM393147;CC(=O)C(CO)OCC#N;YAQDQHCXARRUOZ-UHFFFAOYSA-N;143.14;-0.52;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_P2";;;;;;;-0.24;;-3.24;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM393148;MM393148;Cc1c(N)oc(C#N)c1N;HSAJCIWPDXVUKM-UHFFFAOYSA-N;137.14;0.62;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNd_SNd";;;;;;;0.87;;-2.11;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM393149;MM393149;C=CCOC(CC)C(=N)N;XNRAYLPXFZGTIW-UHFFFAOYSA-N;142.2;0.9;;;;;DOPC;MDCG;27;1;"MARTINI bead: C4_P3";;;;;;;0.23;;-4.77;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM393150;MM393150;C=Cc1oc(F)c(C)c1N;XWRUUWGIFQRPQI-UHFFFAOYSA-N;141.15;1.95;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNda_SC5";;;;;;;1.64;;0.05;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM393151;MM393151;N=C(N)C(CO)OCC=O;WRKANCGJFLMSDY-UHFFFAOYSA-N;146.15;-1.5;;;;;DOPC;MDCG;27;1;"MARTINI bead: P4_P2";;;;;;;-2.29;;-8.94;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM393152;MM393152;C=Cc1oc(C)c(N)c1N;MPONNSONOOFJBI-UHFFFAOYSA-N;138.17;1.4;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC5_SP1";;;;;;;0.81;;-0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM393153;MM393153;N#CCOC(CO)C(=N)N;TWHDHBROPBWHAL-UHFFFAOYSA-N;143.15;-1.18;;;;;DOPC;MDCG;27;1;"MARTINI bead: P3_P2";;;;;;;-2.2;;-8.4;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM393154;MM393154;Cc1oc(C#N)c(N)c1N;NJKXJHVAKASCNA-UHFFFAOYSA-N;137.14;0.62;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNd_SNd";;;;;;;0.87;;-2.11;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM393155;MM393155;C=CCOC(CF)C(=N)N;UOPKZYMNBSITIZ-UHFFFAOYSA-N;146.17;0.46;;;;;DOPC;MDCG;27;1;"MARTINI bead: P2_Na";;;;;;;-0.24;;-6.45;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM393156;MM393156;N#Cc1oc(F)c(N)c1N;IFVVNILPWATATB-UHFFFAOYSA-N;141.11;0.45;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNda_SNd";;;;;;;0.87;;-1.92;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM393157;MM393157;C=CCOC(CC)C(N)=O;LCXFBZAMWBNFCS-UHFFFAOYSA-N;143.19;0.45;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4_P3";;;;;;;0.23;;-1.03;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM393158;MM393158;C=COC(=C)C(=O)C(=O)O;VRYTTXLKSLCPAH-UHFFFAOYSA-N;142.11;0.31;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_C5";;;;;;;0.54;;-5.51;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM393159;MM393159;CCC(=CC(=O)O)C(C)=O;PRNLBJNJFMMDDR-UHFFFAOYSA-N;142.15;1;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_P1";;;;;;;0.81;;-4.54;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM393160;MM393160;COC(C)=CC#CC(=O)O;VDTQBZFRCQVPBZ-UHFFFAOYSA-N;140.14;0.62;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_P1";;;;;;;0.81;;-4.99;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM393161;MM393161;N=c1nn[nH]c(O)nc1=O;HAEBGZWGXDJFPB-UHFFFAOYSA-N;141.09;-2.26;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP5_SP3";;;;;;;-3.08;;-10.26;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM393162;MM393162;C=Cc1oc(O)c(N)c1F;PPBMGEXNHCDZIE-UHFFFAOYSA-N;143.12;1.35;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNda_SC5";;;;;;;1.64;;0.05;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM393163;MM393163;C=CCOC(CO)C(=C)F;DAAFODATTSOWEA-UHFFFAOYSA-N;146.16;1.03;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda_Na";;;;;;;0.87;;-1.99;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM393164;MM393164;C#CC(=O)NOCC(=O)O;KMSQPNGIRQGSBF-UHFFFAOYSA-N;143.1;-1.25;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_P1";;;;;;;-0.79;;-7.67;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM393165;MM393165;C=CCOC(OC)C(=N)N;USOGDCBGPLVRQH-UHFFFAOYSA-N;144.17;0.1;;;;;DOPC;MDCG;27;1;"MARTINI bead: P2_Na";;;;;;;-0.24;;-5.67;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM393166;MM393166;C#CC1=C(C)C(C)=C(C)C1;BSKAHSVPJHJQAG-UHFFFAOYSA-N;132.21;2.68;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC3_SC5";;;;;;;3.34;;0.48;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM393167;MM393167;COC(OCC=O)C(=N)N;QJKXOIKXEOGNSU-UHFFFAOYSA-N;146.15;-0.89;;;;;DOPC;MDCG;27;1;"MARTINI bead: P2_P2";;;;;;;-1.34;;-6.74;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM393168;MM393168;C#CC1=C(C)C(F)=C(C)C1;AZSQKBHOYZCYBY-UHFFFAOYSA-N;136.17;2.58;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC4_SC5";;;;;;;2.97;;0.45;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM393169;MM393169;COC(OCC#N)C(=N)N;XHNLTCVUGPDUTF-UHFFFAOYSA-N;143.15;-0.56;;;;;DOPC;MDCG;27;1;"MARTINI bead: Na_P3";;;;;;;-1.1;;-6.58;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM393170;MM393170;CCC(C)=CC(O)C(C)C;CINWQISQZXQDAX-UHFFFAOYSA-N;142.24;2.36;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1_Nda";;;;;;;2.91;;0.57;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM393171;MM393171;CC(=O)NC=CC(=O)O;MWVBVDJUFFMLAR-UHFFFAOYSA-N;129.12;-0.28;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_Nda";;;;;;;-0.24;;-7.33;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM393172;MM393172;C#Cc1[nH]c(C)c(O)c1N;CILLBYYMYYMWEN-UHFFFAOYSA-N;136.15;0.59;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNda_SNd";;;;;;;0.87;;-1.92;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM393173;MM393173;C=C(C)C(CC)ONC=N;QUBSXRJGFSSUGY-UHFFFAOYSA-N;142.2;1.47;;;;;DOPC;MDCG;27;1;"MARTINI bead: C1_P4";;;;;;;0.85;;-2.27;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM393174;MM393174;C#Cc1[nH]c(O)c(F)c1N;BGEYFLPSWFNHKZ-UHFFFAOYSA-N;140.12;0.42;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNda_SNd";;;;;;;0.87;;-1.92;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM393175;MM393175;C=C(C)C(CN)ONC=O;DPTXUEIDMBORPJ-UHFFFAOYSA-N;144.17;-0.43;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_P4";;;;;;;-1.19;;-6.15;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM393176;MM393176;C#Cc1[nH]c(F)c(F)c1N;NMWDKQPJODVFGA-UHFFFAOYSA-N;142.11;0.86;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNda_SNd";;;;;;;0.87;;-1.92;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM393177;MM393177;C=C(C)C(CF)ONC=N;FCMHKGXUWQMGBO-UHFFFAOYSA-N;146.17;1.03;;;;;DOPC;MDCG;27;1;"MARTINI bead: C4_P4";;;;;;;0.15;;-3.84;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM393178;MM393178;C#Cc1[nH]c(N)c(O)c1O;YXFPNYDHOXWNQU-UHFFFAOYSA-N;138.13;-0.01;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNd_SP1";;;;;;;0.04;;-2.63;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM393179;MM393179;C=C(C)C(CF)ONC=O;XSHAYZXKVMUUON-UHFFFAOYSA-N;147.15;0.58;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4_P4";;;;;;;0.15;;-2.18;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM393180;MM393180;C#Cc1[nH]c(N)c(O)c1F;LIFKJVMMEMRHQL-UHFFFAOYSA-N;140.12;0.42;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNd_SNda";;;;;;;0.87;;-1.92;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM393181;MM393181;N=CNOC(CO)C(=N)N;BDWLQDORYJNDED-UHFFFAOYSA-N;146.15;-1.59;;;;;DOPC;MDCG;27;1;"MARTINI bead: P4_P3";;;;;;;-3.15;;-9.54;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM393182;MM393182;C#Cc1oc(N)c(C)c1N;XBPALGBXMILYGM-UHFFFAOYSA-N;136.15;0.73;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNd_SNd";;;;;;;0.87;;-2.11;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM393183;MM393183;NC(=O)C(CO)ONC=O;HFRJKHDQHQNVSL-UHFFFAOYSA-N;148.12;-2.49;;;;;DOPC;MDCG;27;0;"MARTINI bead: P4_P4";;;;;;;-3.24;;-7.51;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM393184;MM393184;C#Cc1oc(C)c(N)c1N;IEUDXZDNLRCNRV-UHFFFAOYSA-N;136.15;0.73;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNd_SNd";;;;;;;0.87;;-2.11;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM393185;MM393185;COC(ONC=N)C(=N)N;KNOOCWBCBPNXQU-UHFFFAOYSA-N;146.15;-0.98;;;;;DOPC;MDCG;27;1;"MARTINI bead: P2_P4";;;;;;;-2.29;;-7.97;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM393186;MM393186;C#Cc1oc(O)c(N)c1N;YEFDTSOVMXPZEK-UHFFFAOYSA-N;138.13;0.13;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP1_SN0";;;;;;;0.34;;-1.53;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM393187;MM393187;C=CCCN(CC)C(C)=N;SECVZZMTJNUVBN-UHFFFAOYSA-N;140.23;1.88;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_C4";;;;;;;2.2;;-4.36;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM393188;MM393188;C#Cc1oc(F)c(N)c1N;ZIWBZKYAIKWSDT-UHFFFAOYSA-N;140.12;0.56;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNda_SNd";;;;;;;0.87;;-1.92;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM393189;MM393189;C=CCCN(CC)C(C)=O;HYSLWYKMZNMXJO-UHFFFAOYSA-N;141.21;1.43;;;;;DOPC;MDCG;27;0;"MARTINI bead: C3_P1";;;;;;;1.74;;0.29;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM393190;MM393190;COCc1oc(=O)oc1O;XMAIBPUVPXVVBU-UHFFFAOYSA-N;146.1;0.08;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_SP2";;;;;;;-1.06;;-8.26;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM393191;MM393191;CCN(CCC=O)C(N)=O;SMLSUTNVKFUMCJ-UHFFFAOYSA-N;144.17;-0.02;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_P2";;;;;;;-0.24;;-3.24;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM393192;MM393192;N#CCC1=CC(=CO)N=N1;MMEAHWFKCNUXIO-UHFFFAOYSA-N;135.13;1.65;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNda_SC5";;;;;;;1.64;;-4.42;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM393193;MM393193;C=CCCN(NC)C(C)=O;RAKBOERCVHIJLP-UHFFFAOYSA-N;142.2;0.55;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_Na";;;;;;;0.04;;-2.54;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM393194;MM393194;CC1C(O)CC2C(N)C12C;VETLMLHGEQXKGT-UHFFFAOYSA-N;141.21;0.35;;;;;DOPC;MDCG;27;1;"MARTINI bead: SNda_SNd";;;;;;;0.87;;-3.95;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM393195;MM393195;CON(CCC=O)C(C)=O;UFQUPSOCRPBJAN-UHFFFAOYSA-N;145.16;-0.01;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_P2";;;;;;;-0.24;;-3.24;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM393196;MM393196;CC1C(F)CC2C(C)C12N;KNEFLGAFOOSKIG-UHFFFAOYSA-N;143.21;1.33;;;;;DOPC;MDCG;27;1;"MARTINI bead: SC5_SNd";;;;;;;1.64;;-2.81;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM393197;MM393197;CON(CCC#N)C(=N)N;UFIJOHBSVQCBSL-UHFFFAOYSA-N;142.16;-0.34;;;;;DOPC;MDCG;27;1;"MARTINI bead: P2_P1";;;;;;;-1.06;;-5.6;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM393198;MM393198;CC1C2CN(C)C(C)C12N;OZTQNBQQWMAWLR-UHFFFAOYSA-N;140.23;0.28;;;;;DOPC;MDCG;27;1;"MARTINI bead: SNd_SNd";;;;;;;0.87;;-4.45;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM393199;MM393199;CCN(NCC=O)C(=N)N;FBHPNXHNJBHFLX-UHFFFAOYSA-N;144.18;-1.09;;;;;DOPC;MDCG;27;1;"MARTINI bead: P3_Na";;;;;;;-1.1;;-8.19;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM393200;MM393200;CC1CC2C(C)C2(C)N1C;LWLAIGGFFRRXRS-UHFFFAOYSA-N;139.24;1.74;;;;;DOPC;MDCG;27;1;"MARTINI bead: SNd_SN0";;;;;;;1.17;;-4.14;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM393201;MM393201;CNC(=NN)OC(C)=O;GOARPRULOJAFBO-UHFFFAOYSA-N;131.14;-1;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_Na";;;;;;;-0.24;;-3.24;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM393202;MM393202;CC1CN2C(C)C2(C)C1C;YMNOJSBICUWYDV-UHFFFAOYSA-N;139.24;1.74;;;;;DOPC;MDCG;27;1;"MARTINI bead: SN0_SNd";;;;;;;1.17;;-2.22;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM393203;MM393203;C#CCCC(CO)C(C)=O;XSTAYHJWDRZHFC-UHFFFAOYSA-N;140.18;0.6;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_N0";;;;;;;0.34;;-1.53;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM393204;MM393204;CC1C(N)CN2C(C)C12C;RMMVHHQTFILNEQ-UHFFFAOYSA-N;140.23;0.43;;;;;DOPC;MDCG;27;1;"MARTINI bead: SP2_SNd";;;;;;;-0.24;;-5.38;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM393205;MM393205;C#CCCC(CN)C(=N)N;ZCQOTGHICWMZEZ-UHFFFAOYSA-N;139.2;-0.09;;;;;DOPC;MDCG;27;1;"MARTINI bead: P4_C5";;;;;;;-0.41;;-6.3;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM393206;MM393206;C=C1CC2C(N)C2(C)C1C;TZUTUSINNVQCCO-UHFFFAOYSA-N;137.23;1.55;;;;;DOPC;MDCG;27;1;"MARTINI bead: SC3_SNd";;;;;;;2.57;;-1.05;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM393207;MM393207;C#CCCC(CO)C(=N)N;MHJCIYXTSCXGNO-UHFFFAOYSA-N;140.19;-0.06;;;;;DOPC;MDCG;27;1;"MARTINI bead: P4_C5";;;;;;;-0.41;;-6.28;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM393208;MM393208;C=C1CC(O)C(=C)C1(C)C;MGWNDWUQLQHRCN-UHFFFAOYSA-N;138.21;1.89;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC1_SNda";;;;;;;2.91;;0.57;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM393209;MM393209;C#CCCC(NC)C(=C)C;RVMAAILCSJZZBW-UHFFFAOYSA-N;137.23;1.56;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_C5";;;;;;;1.64;;-2.54;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM393210;MM393210;CC(F)C=NN(C)C=NN;ZMJDGFDZAQVEEJ-UHFFFAOYSA-N;146.17;0.16;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_P1";;;;;;;0.04;;-2.54;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM393211;MM393211;C#CCCC(OC)C(=N)N;XTRUZEZQMITWQW-UHFFFAOYSA-N;140.19;0.35;;;;;DOPC;MDCG;27;1;"MARTINI bead: P2_N0";;;;;;;0.06;;-6.03;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM393212;MM393212;CC1C(=N)NC2C(C)C12C;DUBFGNTTWPEHAX-UHFFFAOYSA-N;138.21;1.23;;;;;DOPC;MDCG;27;1;"MARTINI bead: SNd_SC5";;;;;;;1.64;;-4.39;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM393213;MM393213;C#CCNC(CC)C(=C)C;MVWDLTYDWDLMDO-UHFFFAOYSA-N;137.23;1.56;;;;;DOPC;MDCG;27;1;"MARTINI bead: C1_P2";;;;;;;1.8;;-0.45;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM393214;MM393214;CC1C(=O)NC2C(C)C12C;CZZAOVYZVCDNQG-UHFFFAOYSA-N;139.2;0.78;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP1_SC5";;;;;;;0.81;;-0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM393215;MM393215;C#CCNC(CC)C(=N)N;RDYJJWJEUQBSLK-UHFFFAOYSA-N;139.2;-0.08;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_P2";;;;;;;-0.24;;-7;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM393216;MM393216;CC1C(=N)NC2C(O)C12C;OYYDHKFLZLUBKQ-UHFFFAOYSA-N;140.19;-0.05;;;;;DOPC;MDCG;27;1;"MARTINI bead: SNd_SP1";;;;;;;0.04;;-6.47;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM393217;MM393217;C#CCOC(CO)C(=N)N;NTHORNSNWWONHE-UHFFFAOYSA-N;142.16;-1.07;;;;;DOPC;MDCG;27;1;"MARTINI bead: P4_N0";;;;;;;-0.88;;-6.76;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM393218;MM393218;C=C1OC2C(C)C2(C)C1C;WRWVPAKFTAGTKY-UHFFFAOYSA-N;138.21;2.19;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC5_SC5";;;;;;;2.41;;0.64;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM393219;MM393219;C#CCOC(CO)C(N)=O;FMBYWGHMMHRYAO-UHFFFAOYSA-N;143.14;-1.52;;;;;DOPC;MDCG;27;0;"MARTINI bead: P4_N0";;;;;;;-0.88;;-3.74;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM393220;MM393220;O=Cn1cc(O)c(F)n1;LEAATCOYZFXDRJ-UHFFFAOYSA-N;130.08;-0.23;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP1_SNda";;;;;;;0.04;;-6.78;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM393221;MM393221;CC1C(=O)OC2C(C)C12C;NXVYTPTVMGHTIP-UHFFFAOYSA-N;140.18;1.2;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNa_SC5";;;;;;;1.64;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM393222;MM393222;C#CCOC(OC)C(N)=O;ZSBMIDNWGIZCCM-UHFFFAOYSA-N;143.14;-0.91;;;;;DOPC;MDCG;27;0;"MARTINI bead: P3_N0";;;;;;;-0.8;;-2.99;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM393223;MM393223;CC1C2CC(=N)N(C)C12C;YZVVMRFSHZANLG-UHFFFAOYSA-N;138.21;1.32;;;;;DOPC;MDCG;27;1;"MARTINI bead: SNd_SC5";;;;;;;1.64;;-4.33;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM393224;MM393224;C#CCCN(CC)C(C)=N;NFFBEHJMJFUGMV-UHFFFAOYSA-N;138.21;1.33;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_N0";;;;;;;1.17;;-5.85;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM393225;MM393225;CN1C(=N)CC2C(N)C21C;ZAUFLGODTLUFFE-UHFFFAOYSA-N;139.2;0.01;;;;;DOPC;MDCG;27;1;"MARTINI bead: SNd_SP2";;;;;;;-0.24;;-7.18;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM393226;MM393226;C#CCCN(CC)C(C)=O;JNGUVVYDMNFKSA-UHFFFAOYSA-N;139.2;0.88;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda_N0";;;;;;;1.17;;-1.13;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM393227;MM393227;CN1C(=O)CC2C(N)C21C;SKANYRPWAILUSD-UHFFFAOYSA-N;140.19;-0.44;;;;;DOPC;MDCG;27;1;"MARTINI bead: SP1_SP2";;;;;;;-1.06;;-5.44;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM393228;MM393228;C#CCCN(NC)C(=N)N;DHMCIXWPYNODNM-UHFFFAOYSA-N;140.19;-0.66;;;;;DOPC;MDCG;27;1;"MARTINI bead: P4_N0";;;;;;;-0.88;;-7.14;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM393229;MM393229;CN1C(=N)CC2C(O)C21C;XCAZTVORHVJMLU-UHFFFAOYSA-N;140.19;0.05;;;;;DOPC;MDCG;27;1;"MARTINI bead: SNd_SP1";;;;;;;0.04;;-6.41;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM393230;MM393230;CNN=CNC(=N)OC;MIYBKYAVPPIXRB-UHFFFAOYSA-N;130.15;-0.68;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_P2";;;;;;;-1.34;;-4.31;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM393231;MM393231;CN1C(=O)CC2C(O)C21C;YQELMZKTPUGDPW-UHFFFAOYSA-N;141.17;-0.4;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP1_SP1";;;;;;;-0.79;;-3.13;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM393232;MM393232;C#CCCN(OC)C(C)=N;YFBWGPIMJHHZFQ-UHFFFAOYSA-N;140.19;0.87;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1_N0";;;;;;;0.34;;-3.14;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM393233;MM393233;C#CC(=O)C(N)=NN(C)C;QYRLISUUXISVKW-UHFFFAOYSA-N;139.16;-0.98;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_P2";;;;;;;-1.06;;-3.82;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM393234;MM393234;C#CCCN(OC)C(=N)N;BXBBLKZPAZCDOO-UHFFFAOYSA-N;141.17;-0.23;;;;;DOPC;MDCG;27;1;"MARTINI bead: C5_P3";;;;;;;-0.33;;-4.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM393235;MM393235;C=C1C(C)CC2C(C)C12C;CBZMTNHHTWHJCT-UHFFFAOYSA-N;136.24;2.85;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC3_SC4";;;;;;;3.9;;0.47;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM393236;MM393236;C#CCCN(OC)C(N)=O;VYPHNVKYXOEJKB-UHFFFAOYSA-N;142.16;-0.05;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_P3";;;;;;;-0.33;;-2.01;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM393237;MM393237;C=C1C(F)CC2C(O)C12C;IMYUOIUTKDTPEI-UHFFFAOYSA-N;142.17;1.28;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNda_SC5";;;;;;;1.64;;0.05;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM393238;MM393238;C=CC(CCCN)C(=C)C;AJFLDSQULKTHNM-UHFFFAOYSA-N;139.24;2.1;;;;;DOPC;MDCG;27;1;"MARTINI bead: C1_Nd";;;;;;;2.91;;-0.55;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM393239;MM393239;CN1CC2C(O)C2(C)C1=N;DVIANUYBOGOOKE-UHFFFAOYSA-N;140.19;-0.09;;;;;DOPC;MDCG;27;1;"MARTINI bead: SNd_SP1";;;;;;;0.04;;-6.87;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM393240;MM393240;CC1NC(=NN)OC1C;SXTVCCHTHQWCRD-UHFFFAOYSA-N;129.16;-0.39;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP1_SP2";;;;;;;-1.06;;-3.82;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM393241;MM393241;CC(=O)ON(C=N)C=NN;OXVRATFDPMUOCN-UHFFFAOYSA-N;144.13;-0.72;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_P3";;;;;;;-1.1;;-4.2;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM393242;MM393242;C=CC(CCCF)C(=C)C;OQXXXEOXNLSJDH-UHFFFAOYSA-N;142.22;3.11;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1_C4";;;;;;;4.24;;0.42;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM393243;MM393243;C=C1C(=O)CC2C(C)C12C;LTQXFEGPLCJCRM-UHFFFAOYSA-N;136.19;1.79;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNa_SC5";;;;;;;1.64;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM393244;MM393244;C=C(C)C(C=O)CCCC;RTNYOBHDSZVRHS-UHFFFAOYSA-N;140.23;2.57;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1_Na";;;;;;;2.91;;0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM393245;MM393245;C=C1CC2C(C)C2(C)C1=O;WXPCCOGLPVYVGF-UHFFFAOYSA-N;136.19;1.79;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNa_SC5";;;;;;;1.64;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM393246;MM393246;C=C(C)C(C#N)CCCO;YJGSSJNNPFKIQY-UHFFFAOYSA-N;139.2;1.47;;;;;DOPC;MDCG;27;0;"MARTINI bead: N0_Nda";;;;;;;1.17;;-1.13;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM393247;MM393247;C=C1C(=O)CC2C(C)C12O;YEVPRUIJWDBVMP-UHFFFAOYSA-N;138.17;0.51;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNa_SNda";;;;;;;0.87;;-1.99;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM393248;MM393248;C=C(C)C(C=O)CCCF;LWDXCCUNPBBOSZ-UHFFFAOYSA-N;144.19;2.13;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_C4";;;;;;;2.2;;0.34;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM393249;MM393249;C=C1C(=O)CC2C(O)C12O;LRXYBQRUQCYSHA-UHFFFAOYSA-N;140.14;-0.76;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNa_SP2";;;;;;;-0.24;;-3.24;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM393250;MM393250;C=C(C)C(C#N)CCCF;NDQRLKDPEDUONB-UHFFFAOYSA-N;141.19;2.45;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4_Na";;;;;;;2.2;;0.34;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM393251;MM393251;C=C1C(=O)CN2C(C)C12C;QIJHNLGMMHYPIT-UHFFFAOYSA-N;137.18;0.59;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP2_SP1";;;;;;;-1.06;;-3.82;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM393252;MM393252;C=CC(CCCC)C(C)=O;KWWQBJXDFJEIAG-UHFFFAOYSA-N;140.23;2.57;;;;;DOPC;MDCG;27;0;"MARTINI bead: C3_C5";;;;;;;3.34;;0.48;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM393253;MM393253;C=C1C(=O)NN2C(C)C12C;BTQMEFSMAZKKPK-UHFFFAOYSA-N;138.17;0.05;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP2_SP1";;;;;;;-1.06;;-3.82;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM393254;MM393254;C=CC(CCCO)C(C)=O;WVANSODQJOOFEQ-UHFFFAOYSA-N;142.2;1.15;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_Nda";;;;;;;0.87;;-1.99;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM393255;MM393255;CC1=CC2C(C)C2(C)C1C;PBWRTBSHLWHYLY-UHFFFAOYSA-N;136.24;2.85;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC2_SC5";;;;;;;3.6;;0.34;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM393256;MM393256;C=CC(CCCC)C(=N)N;XGDMXWRFJCRULL-UHFFFAOYSA-N;140.23;1.91;;;;;DOPC;MDCG;27;1;"MARTINI bead: C1_P1";;;;;;;2.08;;-3.17;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM393257;MM393257;CC1C(F)=CC2C(C)C12C;DVFMGHPXZNXSRZ-UHFFFAOYSA-N;140.2;2.76;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC4_SC5";;;;;;;2.97;;0.45;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM393258;MM393258;CCCCC(C=O)C(=N)N;NLXVFGBDXSHATL-UHFFFAOYSA-N;142.2;0.93;;;;;DOPC;MDCG;27;1;"MARTINI bead: C1_P3";;;;;;;0.94;;-3.58;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM393259;MM393259;CCC1CC2C(C)C2(C)C1;MZMDHDJDJJIAAP-UHFFFAOYSA-N;138.25;3.08;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC1_SC4";;;;;;;4.24;;0.42;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM393260;MM393260;CC=C1CC2CC2(O)C1;XUZHPYDBHGVXAX-UHFFFAOYSA-N;124.18;1.48;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC1_SNda";;;;;;;2.91;;0.57;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM393261;MM393261;CC1C2CC(CN)CC12C;AYJJCKXBKYUCKB-UHFFFAOYSA-N;139.24;1.63;;;;;DOPC;MDCG;27;1;"MARTINI bead: SC5_SC4";;;;;;;2.97;;-0.07;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM393262;MM393262;C=CC(CCCN)C(=C)F;LZGYHEBBSQRSCS-UHFFFAOYSA-N;143.21;2.01;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_C3";;;;;;;2.57;;-1.51;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM393263;MM393263;CC(F)CCNN=CC=O;SUOFVGUJWXBFRA-UHFFFAOYSA-N;146.17;0.51;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_P1";;;;;;;0.81;;-0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM393264;MM393264;C=CC(CCNC)C(=C)C;NCQTZJSBEMKSFQ-UHFFFAOYSA-N;139.24;1.97;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1_C1";;;;;;;2.08;;-1.55;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM393265;MM393265;CC1C2CC(CF)CC12C;LWYASDFBZVCKAV-UHFFFAOYSA-N;142.22;2.64;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC3_SC4";;;;;;;3.9;;0.47;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM393266;MM393266;C=CC(CCNC)C(=N)N;VOWFDIQTCWRABX-UHFFFAOYSA-N;141.22;0.33;;;;;DOPC;MDCG;27;1;"MARTINI bead: C5_P3";;;;;;;-0.33;;-6.18;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM393267;MM393267;CC12CC(CN)CC1C2N;ABWCGXJGTOFLOS-UHFFFAOYSA-N;140.23;0.32;;;;;DOPC;MDCG;27;1;"MARTINI bead: SNd_SC5";;;;;;;1.64;;-2.83;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM393268;MM393268;C=C(C)C(C=O)CCOC;CUNQOOPKADLZJK-UHFFFAOYSA-N;142.2;1.41;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_Na";;;;;;;0.87;;-2.22;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM393269;MM393269;CC12CC(CO)CC1C2N;IGPOIKPKJQFNDJ-UHFFFAOYSA-N;141.21;0.35;;;;;DOPC;MDCG;27;1;"MARTINI bead: SNd_SC5";;;;;;;1.64;;-2.25;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM393270;MM393270;C=CC(CCOC)C(C)=O;HQGFDNFHRGKANW-UHFFFAOYSA-N;142.2;1.41;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_Na";;;;;;;0.87;;-2.22;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM393271;MM393271;CC12CC(CF)CC1C2N;WMMHUJYZEBPGIK-UHFFFAOYSA-N;143.21;1.33;;;;;DOPC;MDCG;27;1;"MARTINI bead: SNd_SC3";;;;;;;2.57;;-1.08;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM393272;MM393272;COCCC(C=O)C(C)=O;HIDBXQPUKDEJBU-UHFFFAOYSA-N;144.17;0.43;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_Na";;;;;;;0.04;;-2.54;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM393273;MM393273;C#CC=CCC(O)CC=C;XGAFWBSNWVNWKC-UHFFFAOYSA-N;136.19;1.5;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda_C4";;;;;;;2.2;;0.49;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM393274;MM393274;C=C(F)C(C=O)CCOC;QDTVBMQHGOXZLO-UHFFFAOYSA-N;146.16;1.32;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_Na";;;;;;;0.87;;-2.22;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM393275;MM393275;CC12CC(CN)CC1C2O;FSZBCJSXGGYWAK-UHFFFAOYSA-N;141.21;0.35;;;;;DOPC;MDCG;27;1;"MARTINI bead: SNda_SC5";;;;;;;1.64;;-2.69;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM393276;MM393276;C=CC(CNCC)C(=C)C;AGNBOEWYBNVSKO-UHFFFAOYSA-N;139.24;1.97;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1_C1";;;;;;;2.08;;-1.53;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM393277;MM393277;CC#CC(=O)C=NNCC;LPJRVOPFAYQYKP-UHFFFAOYSA-N;138.17;0.17;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nd_C5";;;;;;;1.64;;0.02;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM393278;MM393278;C=C(C)C(C=O)CNCC;RAHCMFPKRZVXFO-UHFFFAOYSA-N;141.21;0.99;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_Na";;;;;;;0.87;;-4.44;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM393279;MM393279;CC12CC(CN)CC1C2F;SFIIOOKRHGQVKX-UHFFFAOYSA-N;143.21;1.33;;;;;DOPC;MDCG;27;1;"MARTINI bead: SC4_SC5";;;;;;;2.97;;-0.07;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM393280;MM393280;C=CC(CNCC)C(N)=O;GAGYRPULNUOHSQ-UHFFFAOYSA-N;142.2;-0.12;;;;;DOPC;MDCG;27;1;"MARTINI bead: C5_P3";;;;;;;-0.33;;-4.36;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM393281;MM393281;CC12CC(CF)CC1C2F;ICGQKFWONFQELJ-UHFFFAOYSA-N;146.18;2.34;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC4_SC3";;;;;;;3.9;;0.47;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM393282;MM393282;C=CC(CNCC)C(=C)F;QRVHDMQGBBZPSK-UHFFFAOYSA-N;143.21;1.88;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1_C1";;;;;;;2.08;;-1.1;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM393283;MM393283;CCC1CC2C(C)C2(N)C1;RXTCJNDDXLEUKH-UHFFFAOYSA-N;139.24;1.77;;;;;DOPC;MDCG;27;1;"MARTINI bead: SC1_SNd";;;;;;;2.91;;-0.69;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM393284;MM393284;C=C(C)C(C=O)COCC;MIVQYXVPRQZBOT-UHFFFAOYSA-N;142.2;1.41;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_Na";;;;;;;0.87;;-2.22;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM393285;MM393285;CC1C2CC(CN)CC12N;CYWRPTFYPYBELV-UHFFFAOYSA-N;140.23;0.32;;;;;DOPC;MDCG;27;1;"MARTINI bead: SC5_SNd";;;;;;;1.64;;-3.07;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM393286;MM393286;C=CC(COCC)C(C)=O;IZZPGZFMBJAIPM-UHFFFAOYSA-N;142.2;1.41;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_Na";;;;;;;0.87;;-2.22;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM393287;MM393287;CC1C2CC(CO)CC12N;RTSBVUMOYCPJRI-UHFFFAOYSA-N;141.21;0.35;;;;;DOPC;MDCG;27;1;"MARTINI bead: SC5_SNd";;;;;;;1.64;;-2.54;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM393288;MM393288;C=CC(COCC)C(=N)N;VSRKPEUIRJXWAF-UHFFFAOYSA-N;142.2;0.76;;;;;DOPC;MDCG;27;1;"MARTINI bead: Na_P1";;;;;;;0.04;;-6.83;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM393289;MM393289;CC1C2CC(CF)CC12N;ANSUFRFLTGDTCE-UHFFFAOYSA-N;143.21;1.33;;;;;DOPC;MDCG;27;1;"MARTINI bead: SC3_SNd";;;;;;;2.57;;-1.65;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM393290;MM393290;CCOCC(C#N)C(=N)N;QJRBEAPRTSTCMZ-UHFFFAOYSA-N;141.17;0.1;;;;;DOPC;MDCG;27;1;"MARTINI bead: Na_P2";;;;;;;-0.24;;-5.23;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM393291;MM393291;NCC1CC2C(N)C2(N)C1;RDSKGTMYCXABCP-UHFFFAOYSA-N;141.22;-0.99;;;;;DOPC;MDCG;27;1;"MARTINI bead: SC5_SP2";;;;;;;0.54;;-3.98;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM393292;MM393292;C=C(C)C(C#N)NCCC;HQNPKPPXUBINCQ-UHFFFAOYSA-N;138.21;1.45;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_C4";;;;;;;1.37;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM393293;MM393293;NC1C2CC(CO)CC12N;ORROHQUBVTZQFZ-UHFFFAOYSA-N;142.2;-0.96;;;;;DOPC;MDCG;27;1;"MARTINI bead: SC5_SP2";;;;;;;0.54;;-3.2;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM393294;MM393294;CC12CC1OC(=NN)N2;JHGLTYJTCVCWBE-UHFFFAOYSA-N;127.15;-0.63;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC5_SP2";;;;;;;0.54;;-1.09;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM393295;MM393295;CCC1CC2C(O)C2(N)C1;XTELLHPWNSHOQZ-UHFFFAOYSA-N;141.21;0.49;;;;;DOPC;MDCG;27;1;"MARTINI bead: SC1_SP1";;;;;;;2.08;;-0.67;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM393296;MM393296;CC12CC1NC(=NN)O2;QRXDEKKKEXWXKQ-UHFFFAOYSA-N;127.15;-0.63;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC5_SP2";;;;;;;0.54;;-1.09;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM393297;MM393297;C=C(CCC)C(O)CCC;MBOFOKXLTZFZNM-UHFFFAOYSA-N;142.24;2.5;;;;;DOPC;MDCG;27;0;"MARTINI bead: C3_C5";;;;;;;3.34;;0.48;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM393298;MM393298;C=CC(NCCN)C(=C)F;SDUBGVDALJJDCF-UHFFFAOYSA-N;144.19;0.57;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1_Nda";;;;;;;0.04;;-4.7;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM393299;MM393299;CC1C2CC(CO)CC12O;CYYKDLATFGKLHK-UHFFFAOYSA-N;142.2;0.39;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC5_SNda";;;;;;;1.64;;0.05;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM393300;MM393300;Cc1cn(C)c(=NN)o1;HBFJUOIHMIAWOX-UHFFFAOYSA-N;127.15;-0.3;;;;;DOPC;MDCG;27;0;"MARTINI bead: SN0_SP1";;;;;;;0.34;;-1.53;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM393301;MM393301;NCC1CC2C(N)C2(O)C1;TUUIIPOQGJBKMZ-UHFFFAOYSA-N;142.2;-0.96;;;;;DOPC;MDCG;27;1;"MARTINI bead: SC5_SP1";;;;;;;0.81;;-3.11;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM393302;MM393302;CC(O)C(C)CC1CC1;YTVURKUTAMUPMX-UHFFFAOYSA-N;128.22;1.8;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda_SC5";;;;;;;1.64;;0.05;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM393303;MM393303;NC1C2CC(CO)CC12O;WIUNLPJYJUAUFW-UHFFFAOYSA-N;143.19;-0.92;;;;;DOPC;MDCG;27;1;"MARTINI bead: SC5_SP2";;;;;;;0.54;;-3.09;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM393304;MM393304;C=CC(OCCN)C(=C)C;RDTOEEFMDOJFCZ-UHFFFAOYSA-N;141.21;1.09;;;;;DOPC;MDCG;27;1;"MARTINI bead: C1_P3";;;;;;;0.94;;-1.81;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM393305;MM393305;NC1C2CC(CF)CC12O;MPOSOYRRWQBIMS-UHFFFAOYSA-N;145.18;0.05;;;;;DOPC;MDCG;27;1;"MARTINI bead: SC3_SP2";;;;;;;1.46;;-2.04;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM393306;MM393306;CCCOC(C#N)C(C)=O;DVMYFNRCXDDZPQ-UHFFFAOYSA-N;141.17;0.89;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_Na";;;;;;;0.87;;-2.22;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM393307;MM393307;NCC1CC2C(O)C2(O)C1;KXNUECJYFPTDTK-UHFFFAOYSA-N;143.19;-0.92;;;;;DOPC;MDCG;27;1;"MARTINI bead: SC5_SP1";;;;;;;0.81;;-2.99;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM393308;MM393308;CC(=O)C(C#N)OCCF;SMJZKHDYAATPLW-UHFFFAOYSA-N;145.13;0.45;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_P1";;;;;;;0.04;;-2.54;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM393309;MM393309;OCC1CC2C(O)C2(O)C1;ZSWISFRSCOKSME-UHFFFAOYSA-N;144.17;-0.89;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC5_SP1";;;;;;;0.81;;-0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM393310;MM393310;C=CC(OCCC)C(=N)N;KEAQRJWZZOXIDI-UHFFFAOYSA-N;142.2;0.9;;;;;DOPC;MDCG;27;1;"MARTINI bead: C4_P3";;;;;;;0.23;;-4.45;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM393311;MM393311;CC1C2CC(CN)CC12F;MPXGPJHBORDXLP-UHFFFAOYSA-N;143.21;1.33;;;;;DOPC;MDCG;27;1;"MARTINI bead: SC5_SC5";;;;;;;2.41;;-0.5;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM393312;MM393312;CCCOC(C#N)C(=N)N;PNBBUDHJSDEPDT-UHFFFAOYSA-N;141.17;0.24;;;;;DOPC;MDCG;27;1;"MARTINI bead: Na_P2";;;;;;;-0.24;;-4.44;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM393313;MM393313;CC1C2CC(CO)CC12F;HRMHGEXSEFNPNB-UHFFFAOYSA-N;144.19;1.36;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC5_SC5";;;;;;;2.41;;0.64;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM393314;MM393314;N=C(N)C(C=O)OCCO;SNFKWNVZKUARBY-UHFFFAOYSA-N;146.15;-1.5;;;;;DOPC;MDCG;27;1;"MARTINI bead: P3_P2";;;;;;;-2.2;;-7.78;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM393315;MM393315;NCC1CC2C(N)C2(F)C1;KUCGALFGWNHJGJ-UHFFFAOYSA-N;144.19;0.02;;;;;DOPC;MDCG;27;1;"MARTINI bead: SC5_SNda";;;;;;;1.64;;-2.7;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM393316;MM393316;N#CC(OCCO)C(=N)N;KCPVLBCWOVYLEP-UHFFFAOYSA-N;143.15;-1.18;;;;;DOPC;MDCG;27;1;"MARTINI bead: P2_P3";;;;;;;-2.2;;-6.37;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM393317;MM393317;CCC1CC2C(O)C2(F)C1;VLWRANQCXLLDLB-UHFFFAOYSA-N;144.19;1.51;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC1_SNda";;;;;;;2.91;;0.57;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM393318;MM393318;N#CC(OCCF)C(=N)N;IKIYPDABLJRCEM-UHFFFAOYSA-N;145.14;-0.2;;;;;DOPC;MDCG;27;1;"MARTINI bead: P4_C5";;;;;;;-0.41;;-3.94;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM393319;MM393319;OCC1CC2C(O)C2(F)C1;OLIAWKRBPLGHNU-UHFFFAOYSA-N;146.16;0.09;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC5_SNda";;;;;;;1.64;;0.05;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM393320;MM393320;NC(=O)C(C=O)OCCO;CKJPPCOWTJQNBT-UHFFFAOYSA-N;147.13;-1.95;;;;;DOPC;MDCG;27;0;"MARTINI bead: P3_P2";;;;;;;-2.2;;-5.19;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM393321;MM393321;CNC1CC2C(C)C2(C)C1;WTTWJIRRKNEZCO-UHFFFAOYSA-N;139.24;1.64;;;;;DOPC;MDCG;27;1;"MARTINI bead: SNd_SC4";;;;;;;2.2;;-2.59;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM393322;MM393322;N#CC(OCCO)C(N)=O;ZAVLKHXHROOLFR-UHFFFAOYSA-N;144.13;-1.63;;;;;DOPC;MDCG;27;0;"MARTINI bead: P4_P1";;;;;;;-2.01;;-5.13;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM393323;MM393323;CNC1CC2C(C)C2(N)C1;RLNKBMNZKHWJFR-UHFFFAOYSA-N;140.23;0.33;;;;;DOPC;MDCG;27;1;"MARTINI bead: SNd_SNd";;;;;;;0.87;;-5.13;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM393324;MM393324;N#CC(OCCF)C(N)=O;JNLNOKMBSPKGLV-UHFFFAOYSA-N;146.12;-0.65;;;;;DOPC;MDCG;27;0;"MARTINI bead: P4_C5";;;;;;;-0.41;;-2.78;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM393325;MM393325;CNC1CC2C(N)C2(N)C1;LPEICJXJYAPLPD-UHFFFAOYSA-N;141.22;-0.98;;;;;DOPC;MDCG;27;1;"MARTINI bead: SNd_SP2";;;;;;;-0.24;;-6.02;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM393326;MM393326;C=CC(OCCO)C(=C)F;GMDULOBOLOXDQP-UHFFFAOYSA-N;146.16;1.03;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_C5";;;;;;;0.81;;-0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM393327;MM393327;CNC1CC2C(O)C2(N)C1;YFBPWEJCIGIDSW-UHFFFAOYSA-N;142.2;-0.94;;;;;DOPC;MDCG;27;1;"MARTINI bead: SNd_SP1";;;;;;;0.04;;-5.23;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM393328;MM393328;COCOC(C=O)C(C)=O;HNMAVCJKDCMSSL-UHFFFAOYSA-N;146.14;-0.24;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_Na";;;;;;;-0.24;;-3.24;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM393329;MM393329;CNC1CC2C(N)C2(O)C1;HSIHXFJCWIFWHI-UHFFFAOYSA-N;142.2;-0.94;;;;;DOPC;MDCG;27;1;"MARTINI bead: SNd_SP1";;;;;;;0.04;;-5.37;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM393330;MM393330;COCOC(C#N)C(=N)N;FYHQQGIZVBLZKL-UHFFFAOYSA-N;143.15;-0.56;;;;;DOPC;MDCG;27;1;"MARTINI bead: P2_P2";;;;;;;-1.34;;-5.44;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM393331;MM393331;CNC1CC2C(O)C2(O)C1;YFMNMYHUNRSSDQ-UHFFFAOYSA-N;143.19;-0.91;;;;;DOPC;MDCG;27;1;"MARTINI bead: SNd_SP1";;;;;;;0.04;;-4.98;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM393332;MM393332;COCOC(C#N)C(N)=O;NOWIKFUCGJMPKE-UHFFFAOYSA-N;144.13;-1.02;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_P3";;;;;;;-1.1;;-4.2;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM393333;MM393333;CNC1CC2C(C)C2(F)C1;WDSSGAPZXUQOFV-UHFFFAOYSA-N;143.21;1.34;;;;;DOPC;MDCG;27;1;"MARTINI bead: SNd_SC4";;;;;;;2.2;;-2.22;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM393334;MM393334;COCC(=NO)C(=O)O;QOBVLVWEQOWQDW-UHFFFAOYSA-N;133.1;-0.45;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_P1";;;;;;;-0.79;;-7.2;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM393335;MM393335;CNC1CC2C(N)C2(F)C1;WQSCNZKVNXGQLP-UHFFFAOYSA-N;144.19;0.03;;;;;DOPC;MDCG;27;1;"MARTINI bead: SNd_SNda";;;;;;;0.87;;-4.72;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM393336;MM393336;C=C(F)C(C#N)OCOC;ZXCZDWPENURPKN-UHFFFAOYSA-N;145.13;0.98;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_C5";;;;;;;0.54;;-1.09;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM393337;MM393337;COC1CC2C(N)C2(C)C1;AFQYNJICITVQMM-UHFFFAOYSA-N;141.21;0.76;;;;;DOPC;MDCG;27;1;"MARTINI bead: SC5_SNd";;;;;;;1.64;;-2.24;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM393338;MM393338;C=CN(CCCC)C(C)=N;QXANXYNIRMVLAI-UHFFFAOYSA-N;140.23;2.23;;;;;DOPC;MDCG;27;1;"MARTINI bead: C4_Nd";;;;;;;2.2;;-4.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM393339;MM393339;COC1CC2C(O)C2(C)C1;UDJSITSJWXYOOZ-UHFFFAOYSA-N;142.2;0.79;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC5_SNda";;;;;;;1.64;;0.05;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM393340;MM393340;C=CN(CCCF)C(C)=O;QPSFOQCYTNTPRV-UHFFFAOYSA-N;145.18;1.34;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_Nda";;;;;;;0.87;;-1.99;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM393341;MM393341;COC1CC2C(C)C2(N)C1;PERFNPBTVKCDAT-UHFFFAOYSA-N;141.21;0.76;;;;;DOPC;MDCG;27;1;"MARTINI bead: SC5_SNd";;;;;;;1.64;;-2.77;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM393342;MM393342;C=CN(CCCO)C(=N)N;BBYYSIJQUSRKKZ-UHFFFAOYSA-N;143.19;-0.29;;;;;DOPC;MDCG;27;1;"MARTINI bead: P2_P1";;;;;;;-1.06;;-8.51;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM393343;MM393343;COC1CC2C(N)C2(N)C1;JAZWTSZYYVHQBU-UHFFFAOYSA-N;142.2;-0.55;;;;;DOPC;MDCG;27;1;"MARTINI bead: SC5_SP2";;;;;;;0.54;;-3.32;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM393344;MM393344;N=CN(CCCN)C(=N)N;UZXDKXHZIUPOFW-UHFFFAOYSA-N;143.19;-0.86;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1_P3";;;;;;;-1.93;;-8.37;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM393345;MM393345;COC1CC2C(N)C2(O)C1;OKLGKLVEETYOOC-UHFFFAOYSA-N;143.19;-0.52;;;;;DOPC;MDCG;27;1;"MARTINI bead: SC5_SP1";;;;;;;0.81;;-2.5;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM393346;MM393346;N=CN(CCCO)C(=N)N;OUZALDCFVLEWHB-UHFFFAOYSA-N;144.18;-0.83;;;;;DOPC;MDCG;27;1;"MARTINI bead: P3_P1";;;;;;;-1.93;;-8.33;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM393347;MM393347;COC1CC2C(C)C2(F)C1;PHCHNCTZZRGARC-UHFFFAOYSA-N;144.19;1.77;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC5_SC4";;;;;;;2.97;;0.45;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM393348;MM393348;CCCCN(C=O)C(=N)N;VFBQRJWMKDDDEA-UHFFFAOYSA-N;143.19;0.14;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_P2";;;;;;;-0.24;;-5.12;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM393349;MM393349;CCC1CC2(C)C(C)C2N1;VZAIJWWWKPJYGE-UHFFFAOYSA-N;139.24;1.78;;;;;DOPC;MDCG;27;1;"MARTINI bead: SNd_SN0";;;;;;;1.17;;-4.77;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM393350;MM393350;N=C(N)N(C=O)CCCN;GWVAYQGNDHPMFN-UHFFFAOYSA-N;144.18;-1.31;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_P4";;;;;;;-1.19;;-7.09;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM393351;MM393351;CC1C2NC(CN)CC12C;VUOVDNUDQMUXNP-UHFFFAOYSA-N;140.23;0.33;;;;;DOPC;MDCG;27;1;"MARTINI bead: SP1_SC4";;;;;;;1.37;;-3.12;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM393352;MM393352;C=CN(CCCO)C(N)=O;CERCWDZVKBXQFJ-UHFFFAOYSA-N;144.17;-0.11;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_P1";;;;;;;-1.06;;-3.82;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM393353;MM393353;CC1C2NC(CF)CC12C;GZFMJSMYTRCKDP-UHFFFAOYSA-N;143.21;1.34;;;;;DOPC;MDCG;27;1;"MARTINI bead: SNda_SC4";;;;;;;2.2;;-1.33;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM393354;MM393354;N=CN(CCCN)C(N)=O;QUDGHMNENMKFAZ-UHFFFAOYSA-N;144.18;-0.68;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1_P3";;;;;;;-1.93;;-7.04;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM393355;MM393355;CCC1CC2(C)C(N)C2N1;YOLYIJKLWILDGM-UHFFFAOYSA-N;140.23;0.47;;;;;DOPC;MDCG;27;1;"MARTINI bead: SNd_SP2";;;;;;;-0.24;;-6.25;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM393356;MM393356;NC(=O)N(C=O)CCCO;DWOVPCBQRQAWOR-UHFFFAOYSA-N;146.15;-1.09;;;;;DOPC;MDCG;27;0;"MARTINI bead: P4_P1";;;;;;;-2.01;;-5.13;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM393357;MM393357;CCC1CC2(C)C(F)C2N1;LWLJANLSKHKDBU-UHFFFAOYSA-N;143.21;1.48;;;;;DOPC;MDCG;27;1;"MARTINI bead: SNd_SNa";;;;;;;0.87;;-3.84;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM393358;MM393358;C=C(C)N(C=O)CCNC;WCDCSNWRDBYGPY-UHFFFAOYSA-N;142.2;0.2;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_P2";;;;;;;-0.24;;-5.34;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM393359;MM393359;CC1C2NC(CN)CC12N;SSZCYVUDWBRGQG-UHFFFAOYSA-N;141.22;-0.98;;;;;DOPC;MDCG;27;1;"MARTINI bead: SP1_SNd";;;;;;;0.04;;-5.49;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM393360;MM393360;C=CN(CCNC)C(C)=N;QEEHNYKLNXJUAC-UHFFFAOYSA-N;141.22;0.65;;;;;DOPC;MDCG;27;1;"MARTINI bead: P2_Nd";;;;;;;-0.24;;-7.43;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM393361;MM393361;NCC1CC2(N)C(N)C2N1;WTUNUCZDVLHNOT-UHFFFAOYSA-N;142.21;-2.29;;;;;DOPC;MDCG;27;1;"MARTINI bead: SP1_SP3";;;;;;;-1.93;;-7.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM393362;MM393362;C=CN(CCNC)C(=N)N;WODNJTFPBYVKDM-UHFFFAOYSA-N;142.21;-0.46;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1_P2";;;;;;;-1.06;;-8.46;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM393363;MM393363;NC1C2NC(CF)CC12N;MDHBBBLILQFLRO-UHFFFAOYSA-N;145.18;-1.28;;;;;DOPC;MDCG;27;1;"MARTINI bead: SNda_SP2";;;;;;;-0.24;;-4.86;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM393364;MM393364;CNCCN(C=N)C(N)=O;PFKOLXLXYZYTSU-UHFFFAOYSA-N;144.18;-0.81;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1_P3";;;;;;;-1.93;;-6.87;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM393365;MM393365;CCC1CC2(N)C(O)C2N1;GUAOIRSTCQBGCI-UHFFFAOYSA-N;142.2;-0.8;;;;;DOPC;MDCG;27;1;"MARTINI bead: SNd_SP3";;;;;;;-1.1;;-6.41;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM393366;MM393366;CNCCN(C=O)C(N)=O;LKCYURMFGZQZKS-UHFFFAOYSA-N;145.16;-1.26;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1_P4";;;;;;;-2.01;;-7.24;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM393367;MM393367;NCC1CC2(N)C(O)C2N1;ZIFVXHDSFRNKRW-UHFFFAOYSA-N;143.19;-2.25;;;;;DOPC;MDCG;27;1;"MARTINI bead: SP1_SP3";;;;;;;-1.93;;-6.97;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM393368;MM393368;COCCN(C=N)C(=N)N;KQIZBRGUUMYXKU-UHFFFAOYSA-N;144.18;-0.56;;;;;DOPC;MDCG;27;1;"MARTINI bead: Na_P4";;;;;;;-1.19;;-7.97;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM393369;MM393369;NC12CC(CO)NC1C2O;JRALAIJTURXKMR-UHFFFAOYSA-N;144.17;-2.22;;;;;DOPC;MDCG;27;1;"MARTINI bead: SP3_SP1";;;;;;;-1.93;;-6.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM393370;MM393370;CCC1CC2(O)C(N)C2N1;IHIUAVVQZYPIJW-UHFFFAOYSA-N;142.2;-0.8;;;;;DOPC;MDCG;27;1;"MARTINI bead: SNd_SP3";;;;;;;-1.1;;-6.36;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM393371;MM393371;COCCN(C=O)C(=N)N;XUAOFWUTUBBRRM-UHFFFAOYSA-N;145.16;-1.02;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1_P3";;;;;;;-1.93;;-6.3;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM393372;MM393372;NCC1CC2(O)C(N)C2N1;GKXVIXVPOZWWDH-UHFFFAOYSA-N;143.19;-2.25;;;;;DOPC;MDCG;27;1;"MARTINI bead: SP1_SP3";;;;;;;-1.93;;-6.81;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM393373;MM393373;Cc1coc(=NN)n1C;MNNFDOLOBZNTBK-UHFFFAOYSA-N;127.15;-0.3;;;;;DOPC;MDCG;27;0;"MARTINI bead: SN0_SP1";;;;;;;0.34;;-1.53;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM393374;MM393374;CCC1CC2(O)C(O)C2N1;WRLOZOVQYZMWPB-UHFFFAOYSA-N;143.19;-0.77;;;;;DOPC;MDCG;27;1;"MARTINI bead: SNd_SP2";;;;;;;-0.24;;-5.39;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM393375;MM393375;C=NN(CCCN)C(C)=N;FTQFTEUSLAXAQR-UHFFFAOYSA-N;142.21;0.25;;;;;DOPC;MDCG;27;1;"MARTINI bead: P2_P1";;;;;;;-1.06;;-5.69;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM393376;MM393376;NCC1CC2(N)C(N)C2O1;VSWWZWWTZCUCJP-UHFFFAOYSA-N;143.19;-1.86;;;;;DOPC;MDCG;27;1;"MARTINI bead: SP1_SP3";;;;;;;-1.93;;-6.85;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM393377;MM393377;C=NN(CCCC)C(C)=O;MYPCWQICJWFKDB-UHFFFAOYSA-N;142.2;1.25;;;;;DOPC;MDCG;27;0;"MARTINI bead: C3_P2";;;;;;;1.46;;-0.15;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM393378;MM393378;NCC1CC2(N)C(O)C2O1;NIYZKQOMGVOONL-UHFFFAOYSA-N;144.17;-1.83;;;;;DOPC;MDCG;27;1;"MARTINI bead: SP1_SP2";;;;;;;-1.06;;-5.98;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM393379;MM393379;C=C(C)N(C=N)NCCF;BVPCAIJZYDUNCF-UHFFFAOYSA-N;145.18;0.9;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_P2";;;;;;;-0.24;;-5.7;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM393380;MM393380;CC1C2OC(CO)CC12O;MYYYQRHDBLCTNA-UHFFFAOYSA-N;144.17;-0.48;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP1_SNda";;;;;;;0.04;;-2.73;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM393381;MM393381;C=CN(NCCF)C(C)=N;CNWXGVPRVXHOON-UHFFFAOYSA-N;145.18;0.9;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_P2";;;;;;;-0.24;;-6.66;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM393382;MM393382;CCC1CC2(O)C(N)C2O1;QZCNIYQUKFBFHP-UHFFFAOYSA-N;143.19;-0.37;;;;;DOPC;MDCG;27;1;"MARTINI bead: SC5_SP2";;;;;;;0.54;;-2.32;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM393383;MM393383;N=C(N)N(C=O)NCCN;KYUVTRJUIPJYMT-UHFFFAOYSA-N;145.17;-2.2;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1_P4";;;;;;;-2.01;;-6.92;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM393384;MM393384;NCC1CC2(O)C(N)C2O1;WMOXCRXHWQFYCW-UHFFFAOYSA-N;144.17;-1.83;;;;;DOPC;MDCG;27;1;"MARTINI bead: SP1_SP2";;;;;;;-1.06;;-5.71;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM393385;MM393385;N=C(N)N(C=O)NCCO;AYONKJKOEBRZBV-UHFFFAOYSA-N;146.15;-2.16;;;;;DOPC;MDCG;27;1;"MARTINI bead: P4_P1";;;;;;;-2.01;;-6.76;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM393386;MM393386;CCC1CC2(O)C(O)C2O1;HPDNMZKTLQZXMH-UHFFFAOYSA-N;144.17;-0.34;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC5_SP2";;;;;;;0.54;;-1.09;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM393387;MM393387;N=CN(NCCN)C(N)=O;CVCWXCXEVNVQDO-UHFFFAOYSA-N;145.17;-1.56;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1_P4";;;;;;;-2.01;;-6.63;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM393388;MM393388;CCC1CC2C(C)C2(C)N1;CURKZBDJYKSTFR-UHFFFAOYSA-N;139.24;1.78;;;;;DOPC;MDCG;27;1;"MARTINI bead: SNd_SN0";;;;;;;1.17;;-4.99;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM393389;MM393389;NCCNN(C=O)C(N)=O;XKURNSVOPBSUKG-UHFFFAOYSA-N;146.15;-2.01;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1_P4";;;;;;;-2.01;;-6.63;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM393390;MM393390;CC1C2CC(CN)NC12C;UVZJQGPXPDSLMW-UHFFFAOYSA-N;140.23;0.33;;;;;DOPC;MDCG;27;1;"MARTINI bead: SP1_SNd";;;;;;;0.04;;-6.03;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM393391;MM393391;CC(=O)N(C=O)OCCO;KQDZQTRURJPHNC-UHFFFAOYSA-N;147.13;-1.08;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_P1";;;;;;;-1.06;;-3.82;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM393392;MM393392;CC1C2CC(CO)NC12C;DGNATSRFMKQHSQ-UHFFFAOYSA-N;141.21;0.37;;;;;DOPC;MDCG;27;1;"MARTINI bead: SP1_SNd";;;;;;;0.04;;-5.86;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM393393;MM393393;C=CN(OCCN)C(=N)N;PMAHPEZMZMKBFH-UHFFFAOYSA-N;144.18;-0.78;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1_P2";;;;;;;-1.06;;-6.93;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM393394;MM393394;CCC1CC2C(N)C2(C)N1;PPZRHHIOBMESDW-UHFFFAOYSA-N;140.23;0.47;;;;;DOPC;MDCG;27;1;"MARTINI bead: SN0_SP2";;;;;;;0.06;;-5.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM393395;MM393395;C=CN(OCCO)C(=N)N;NFJVEWXFYAVZQQ-UHFFFAOYSA-N;145.16;-0.75;;;;;DOPC;MDCG;27;1;"MARTINI bead: P2_P1";;;;;;;-1.06;;-6.88;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM393396;MM393396;CC12NC(CN)CC1C2N;QFNMONCJWJWQRL-UHFFFAOYSA-N;141.22;-0.98;;;;;DOPC;MDCG;27;1;"MARTINI bead: SP2_SP1";;;;;;;-1.06;;-6.66;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM393397;MM393397;C=CN(OCCF)C(=N)N;XARSHXOUFWUSPU-UHFFFAOYSA-N;147.15;0.23;;;;;DOPC;MDCG;27;1;"MARTINI bead: P2_Na";;;;;;;-0.24;;-6.23;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM393398;MM393398;CCC1CC2C(F)C2(C)N1;LAZOPVYABQQAIH-UHFFFAOYSA-N;143.21;1.48;;;;;DOPC;MDCG;27;1;"MARTINI bead: SN0_SNda";;;;;;;1.17;;-3.31;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM393399;MM393399;N=CN(OCCN)C(=N)N;BGMPRSHFXFOMIW-UHFFFAOYSA-N;145.17;-1.32;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1_P4";;;;;;;-2.01;;-7.13;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM393400;MM393400;CCC1CC2C(C)C2(C)O1;QYUBLBCQSOEEAO-UHFFFAOYSA-N;140.23;2.21;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC5_SN0";;;;;;;1.94;;0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM393401;MM393401;N=CN(OCCO)C(=N)N;RDQNMNIOBBBSKF-UHFFFAOYSA-N;146.15;-1.29;;;;;DOPC;MDCG;27;1;"MARTINI bead: P4_P1";;;;;;;-2.01;;-7.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM393402;MM393402;CCN1CC2C(C)C2(C)C1;WJWKXIZHHQSAIY-UHFFFAOYSA-N;139.24;1.59;;;;;DOPC;MDCG;27;1;"MARTINI bead: SNd_SN0";;;;;;;1.17;;-3.53;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM393403;MM393403;N=C(N)N(C=O)OCCN;JYCFWKADZYRIIQ-UHFFFAOYSA-N;146.15;-1.77;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1_P3";;;;;;;-1.93;;-6.02;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM393404;MM393404;CCN1CC2C(N)C2(C)C1;OZAMYHRYYHGQAY-UHFFFAOYSA-N;140.23;0.29;;;;;DOPC;MDCG;27;1;"MARTINI bead: SNd_SP2";;;;;;;-0.24;;-5.47;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM393405;MM393405;C=CN(OCCN)C(N)=O;XBIHUAKJYVMGOS-UHFFFAOYSA-N;145.16;-0.6;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1_P2";;;;;;;-1.06;;-5.4;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM393406;MM393406;CCN1CC2C(C)C2(N)C1;DESUFZDWNMWVIG-UHFFFAOYSA-N;140.23;0.29;;;;;DOPC;MDCG;27;1;"MARTINI bead: SNd_SP2";;;;;;;-0.24;;-5.45;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM393407;MM393407;C=CN(OCCO)C(N)=O;BRISNIZLUVVQMT-UHFFFAOYSA-N;146.15;-0.57;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_P1";;;;;;;-1.06;;-3.82;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM393408;MM393408;CCN1CC2C(N)C2(N)C1;ZTNDODMGOQSYAA-UHFFFAOYSA-N;141.22;-1.02;;;;;DOPC;MDCG;27;1;"MARTINI bead: SNd_SP3";;;;;;;-1.1;;-5.78;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM393409;MM393409;N=CN(OCCN)C(N)=O;GSYGZRZSEINIKG-UHFFFAOYSA-N;146.15;-1.14;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1_P3";;;;;;;-1.93;;-6.29;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM393410;MM393410;CCN1CC2C(O)C2(N)C1;PRYYCGUOAPRUPU-UHFFFAOYSA-N;142.2;-0.99;;;;;DOPC;MDCG;27;1;"MARTINI bead: SNd_SP3";;;;;;;-1.1;;-5.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM393411;MM393411;C#CCNC(=NN)OC;LWIFLBIVMDSJAP-UHFFFAOYSA-N;127.15;-0.91;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_N0";;;;;;;0.06;;-2.21;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM393412;MM393412;CCN1CC2C(C)C2(O)C1;QWIMXBWCVGWEGN-UHFFFAOYSA-N;141.21;0.32;;;;;DOPC;MDCG;27;1;"MARTINI bead: SNd_SP1";;;;;;;0.04;;-4.69;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM393413;MM393413;NCCON(C=O)C(N)=O;QPRJYECIIUCMFA-UHFFFAOYSA-N;147.13;-1.59;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1_P3";;;;;;;-1.93;;-6.29;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM393414;MM393414;CCN1CC2C(N)C2(O)C1;YYVSCRNRFMDQMA-UHFFFAOYSA-N;142.2;-0.99;;;;;DOPC;MDCG;27;1;"MARTINI bead: SNd_SP3";;;;;;;-1.1;;-5.84;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM393415;MM393415;NC(=O)N(C=O)OCCO;JLPNNZRBKAIUMN-UHFFFAOYSA-N;148.12;-1.55;;;;;DOPC;MDCG;27;0;"MARTINI bead: P3_P1";;;;;;;-1.93;;-4.72;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM393416;MM393416;CCN1CC2C(N)C2(F)C1;JSWLJVWXGSGLQW-UHFFFAOYSA-N;144.19;-0.01;;;;;DOPC;MDCG;27;1;"MARTINI bead: SNd_SP2";;;;;;;-0.24;;-4.21;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM393417;MM393417;NN=C1NC(CF)CO1;GYXYGIBKABYDQC-UHFFFAOYSA-N;133.13;-0.83;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP2_SP2";;;;;;;-1.34;;-4.31;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM393418;MM393418;CCC1CC2N(C)C2(C)C1;VLYPQJVOCFVRAF-UHFFFAOYSA-N;139.24;1.88;;;;;DOPC;MDCG;27;1;"MARTINI bead: SC1_SNd";;;;;;;2.91;;0.47;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM393419;MM393419;C=CC(CCC=O)C(=C)C;WQUYNFCEZAEZJF-UHFFFAOYSA-N;138.21;2.34;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1_Na";;;;;;;2.91;;0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM393420;MM393420;CN1C2CC(CN)CC21C;HEOWNPDPMYPMRA-UHFFFAOYSA-N;140.23;0.43;;;;;DOPC;MDCG;27;1;"MARTINI bead: SC5_SNd";;;;;;;1.64;;-2.72;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM393421;MM393421;C=C(C)C(C#N)CCC=O;PSDBDHLFPZOWLA-UHFFFAOYSA-N;137.18;1.68;;;;;DOPC;MDCG;27;0;"MARTINI bead: N0_Na";;;;;;;1.17;;-1.18;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM393422;MM393422;COC1CC2N(C)C2(C)C1;WHLKRTWYEQQRIM-UHFFFAOYSA-N;141.21;0.87;;;;;DOPC;MDCG;27;1;"MARTINI bead: SC5_SNd";;;;;;;1.64;;-1.01;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM393423;MM393423;C=CCCC(C=C)C(C)=O;IMQYMJIOFVWXEF-UHFFFAOYSA-N;138.21;2.34;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_C3";;;;;;;2.57;;0.45;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM393424;MM393424;CCC1CN2C(C)C2(C)C1;CRSRWOYWTQZWJK-UHFFFAOYSA-N;139.24;1.88;;;;;DOPC;MDCG;27;1;"MARTINI bead: SN0_SNd";;;;;;;1.17;;-2.21;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM393425;MM393425;C=CC(CCC=O)C(C)=O;VWJXQXSVAORPPL-UHFFFAOYSA-N;140.18;1.36;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_Na";;;;;;;0.87;;-2.22;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM393426;MM393426;COC1CN2C(C)C2(C)C1;RVTQJXUVROSPEE-UHFFFAOYSA-N;141.21;0.87;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP1_SNd";;;;;;;0.04;;-2.63;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM393427;MM393427;CC(=O)C(C=O)CCC=O;VTOLSKLEJBORFD-UHFFFAOYSA-N;142.15;0.37;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_Na";;;;;;;0.87;;-2.22;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM393428;MM393428;C=CC1CC2C(C)C2(C)C1;VDILDLXQGCDQCV-UHFFFAOYSA-N;136.24;2.85;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC2_SC4";;;;;;;4.16;;0.44;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM393429;MM393429;CC(=O)C(C#N)CCC#N;CJDLLIFAVXSPPM-UHFFFAOYSA-N;136.15;1.02;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_P1";;;;;;;0.04;;-2.54;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM393430;MM393430;CC1C2CC(C=O)CC12C;OIJIBWMZRHDWPZ-UHFFFAOYSA-N;138.21;1.87;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNa_SC5";;;;;;;1.64;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM393431;MM393431;C=CCCC(C=C)C(=N)N;AQRFBQPFFXEEFM-UHFFFAOYSA-N;138.21;1.69;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1_C4";;;;;;;1.37;;-4.72;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM393432;MM393432;CC1C2CC(C#N)CC12C;ULEUDOOZPJPUNQ-UHFFFAOYSA-N;135.21;2.19;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC5_SC4";;;;;;;2.97;;0.45;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM393433;MM393433;C=CC(CCC#N)C(N)=O;SBPXWFWEJYQGLZ-UHFFFAOYSA-N;138.17;0.58;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda_P1";;;;;;;0.04;;-2.73;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM393434;MM393434;C=CC1CC2C(N)C2(C)C1;RRHBDXKHVUWYRY-UHFFFAOYSA-N;137.23;1.55;;;;;DOPC;MDCG;27;1;"MARTINI bead: SNd_SC2";;;;;;;2.83;;-0.34;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM393435;MM393435;C=CC(CNC=N)C(=C)C;BLODILRCQJWOCD-UHFFFAOYSA-N;138.21;1.56;;;;;DOPC;MDCG;27;1;"MARTINI bead: C1_P3";;;;;;;0.94;;-3.77;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM393436;MM393436;CC12CC(C#N)CC1C2F;ZKCRJUQIIRSHOI-UHFFFAOYSA-N;139.17;1.89;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC4_SC5";;;;;;;2.97;;0.45;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM393437;MM393437;NN=C1NCC(CF)O1;BWVVFGDJKGCSMM-UHFFFAOYSA-N;133.13;-0.83;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP2_SP2";;;;;;;-1.34;;-4.31;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM393438;MM393438;CC(=N)N(C)C(=O)CCF;ISPZMJUJQUKSMD-UHFFFAOYSA-N;146.17;0.8;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nd_P2";;;;;;;-0.24;;-3.16;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM393439;MM393439;C=C(C)C(C#N)CNC=N;RAOCTALPPNOZHR-UHFFFAOYSA-N;137.19;0.9;;;;;DOPC;MDCG;27;1;"MARTINI bead: C4_P3";;;;;;;0.23;;-4.91;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM393440;MM393440;C=CC1CC2C(N)C2(O)C1;XBNOOOBOHQHDSP-UHFFFAOYSA-N;139.2;0.27;;;;;DOPC;MDCG;27;1;"MARTINI bead: SC2_SP2";;;;;;;1.72;;-1.31;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM393441;MM393441;C=C(C)C(C#N)CNC=O;VZVUIMLJTPYIJJ-UHFFFAOYSA-N;138.17;0.45;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4_P3";;;;;;;0.23;;-1.03;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM393442;MM393442;C=CC1CC2C(C)C2(F)C1;GIWCADCAROGQDF-UHFFFAOYSA-N;140.2;2.56;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC2_SC5";;;;;;;3.6;;0.34;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM393443;MM393443;N#CC(CNC=O)C(=N)N;RDQVUBIOQPRZHO-UHFFFAOYSA-N;140.15;-1.19;;;;;DOPC;MDCG;27;1;"MARTINI bead: P2_P3";;;;;;;-2.2;;-7.45;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM393444;MM393444;CC1C2CC(C=O)CC12F;BNPBVVAYHPCDLY-UHFFFAOYSA-N;142.17;1.57;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNa_SC5";;;;;;;1.64;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM393445;MM393445;N#CC(CNC=N)C(N)=O;OMBOMFYZXKWDIH-UHFFFAOYSA-N;140.15;-1.19;;;;;DOPC;MDCG;27;1;"MARTINI bead: P2_P3";;;;;;;-2.2;;-8.79;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM393446;MM393446;CC1C2CC(C#N)CC12F;RLQVQYVKMDZVRA-UHFFFAOYSA-N;139.17;1.89;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC5_SC5";;;;;;;2.41;;0.64;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM393447;MM393447;N#CC(CNC=O)C(N)=O;QXLFNWUGJASZDO-UHFFFAOYSA-N;141.13;-1.64;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_P3";;;;;;;-2.2;;-5.19;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM393448;MM393448;C=CC1CC2(C)C(C)C2N1;DBFNBVPHBUPKLL-UHFFFAOYSA-N;137.23;1.56;;;;;DOPC;MDCG;27;1;"MARTINI bead: SNd_SC5";;;;;;;1.64;;-2.84;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM393449;MM393449;C=CC(CNC=N)C(=C)F;PKZIHHOZVHNIBA-UHFFFAOYSA-N;142.18;1.47;;;;;DOPC;MDCG;27;1;"MARTINI bead: C3_P3";;;;;;;0.6;;-4.65;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM393450;MM393450;C=CC1CC2(N)C(C)C2N1;UXKJKWHHXQOFBW-UHFFFAOYSA-N;138.21;0.25;;;;;DOPC;MDCG;27;1;"MARTINI bead: SNd_SNd";;;;;;;0.87;;-4.75;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM393451;MM393451;C=C(F)C(C=O)CNC=N;QMFZDZXPCHSFKO-UHFFFAOYSA-N;144.15;0.48;;;;;DOPC;MDCG;27;1;"MARTINI bead: C5_P3";;;;;;;-0.33;;-5.88;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM393452;MM393452;C=CC1CC2(C)C(C)C2O1;OEOVXJOUZJAJJA-UHFFFAOYSA-N;138.21;1.99;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNa_SC5";;;;;;;1.64;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM393453;MM393453;C=CC(CNN=C)C(=C)C;OGENYUDFTBRBLL-UHFFFAOYSA-N;138.21;1.57;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1_P2";;;;;;;1.8;;0.41;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM393454;MM393454;C=CC1CC2C(C)C2(C)N1;FIDNZMUKELQCQR-UHFFFAOYSA-N;137.23;1.56;;;;;DOPC;MDCG;27;1;"MARTINI bead: SNd_SC5";;;;;;;1.64;;-3.07;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM393455;MM393455;C=NNCC(C=O)C(C)=O;BUTZJVASSCQVLU-UHFFFAOYSA-N;142.16;-0.4;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_P1";;;;;;;0.04;;-2.54;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM393456;MM393456;C=CC1CC2C(C)C2(C)O1;BAUYSJDPUDEVBE-UHFFFAOYSA-N;138.21;1.99;;;;;DOPC;MDCG;27;0;"MARTINI bead: SN0_SNa";;;;;;;1.17;;-1.18;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM393457;MM393457;C=NNCC(C=O)C(=N)N;YMXQKUFOGHTGNI-UHFFFAOYSA-N;142.16;-1.06;;;;;DOPC;MDCG;27;1;"MARTINI bead: P2_P1";;;;;;;-1.06;;-7.45;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM393458;MM393458;CC1C2CN(C=N)CC12C;WGXSXSIYRDZKKV-UHFFFAOYSA-N;138.21;1.18;;;;;DOPC;MDCG;27;1;"MARTINI bead: SP1_SC5";;;;;;;0.81;;-4.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM393459;MM393459;C=NNCC(C#N)C(=N)N;MCVOGBRWXQSAQK-UHFFFAOYSA-N;139.16;-0.73;;;;;DOPC;MDCG;27;1;"MARTINI bead: P2_P1";;;;;;;-1.06;;-6.08;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM393460;MM393460;CC1C2CN(C=O)CC12C;FMGJINDDKNWJCB-UHFFFAOYSA-N;139.2;0.73;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP1_SC5";;;;;;;0.81;;-0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM393461;MM393461;COC1CNC(=NN)O1;YOANEGCXZFYFBJ-UHFFFAOYSA-N;131.14;-1.19;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP2_SP2";;;;;;;-1.34;;-4.31;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM393462;MM393462;CC12CN(C=N)CC1C2O;SHGAOECWTPUNMV-UHFFFAOYSA-N;140.19;-0.09;;;;;DOPC;MDCG;27;1;"MARTINI bead: SP1_SP1";;;;;;;-0.79;;-7.08;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM393463;MM393463;C=NNCC(C#N)C(N)=O;FHQFXMFAGKNRJW-UHFFFAOYSA-N;140.15;-1.18;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_P1";;;;;;;-1.06;;-3.82;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM393464;MM393464;CC12CN(C=O)CC1C2O;UIYOCQFFVSHMPX-UHFFFAOYSA-N;141.17;-0.54;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP1_SP1";;;;;;;-0.79;;-3.13;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM393465;MM393465;C=CC1COC(=NN)N1;YYCUAYGZSOYNHQ-UHFFFAOYSA-N;127.15;-0.61;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP2_SP1";;;;;;;-1.06;;-3.82;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM393466;MM393466;CC12CN(C=N)CC1C2F;OORNLPFVDGODLX-UHFFFAOYSA-N;142.18;0.88;;;;;DOPC;MDCG;27;1;"MARTINI bead: SNa_SP1";;;;;;;0.04;;-6.45;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM393467;MM393467;C=CC(COC=O)C(=C)C;XSOIQRWITAVOIG-UHFFFAOYSA-N;140.18;1.54;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1_P1";;;;;;;2.08;;0.48;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM393468;MM393468;CC1C2CN(C=N)CC12N;BEGXUKHEAPYRSV-UHFFFAOYSA-N;139.2;-0.13;;;;;DOPC;MDCG;27;1;"MARTINI bead: SP1_SNd";;;;;;;0.04;;-6.36;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM393469;MM393469;C=CC(COC=O)C(C)=O;OLKHQRUHOUVUGY-UHFFFAOYSA-N;142.15;0.55;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_P1";;;;;;;0.81;;-0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM393470;MM393470;CC1C2CN(C=O)CC12N;ZXPSYVBUCRCISD-UHFFFAOYSA-N;140.19;-0.58;;;;;DOPC;MDCG;27;1;"MARTINI bead: SP1_SNd";;;;;;;0.04;;-4.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM393471;MM393471;C=COCC(C#N)C(=N)N;AQLJVPWLLNXGME-UHFFFAOYSA-N;139.16;0.22;;;;;DOPC;MDCG;27;1;"MARTINI bead: P2_Na";;;;;;;-0.24;;-5.27;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM393472;MM393472;CC1C2CN(C=N)CC12O;BECOSBNFKBUXBB-UHFFFAOYSA-N;140.19;-0.09;;;;;DOPC;MDCG;27;1;"MARTINI bead: SP1_SNda";;;;;;;0.04;;-6.15;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM393473;MM393473;N#CC(COC=O)C(=N)N;WCFNTACEPXLHMK-UHFFFAOYSA-N;141.13;-0.76;;;;;DOPC;MDCG;27;1;"MARTINI bead: P2_P1";;;;;;;-1.06;;-5.84;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM393474;MM393474;CC1C2CN(C=O)CC12O;QGFAMVNOXCXHTA-UHFFFAOYSA-N;141.17;-0.54;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP1_SNda";;;;;;;0.04;;-2.73;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM393475;MM393475;C=NOCC(C=O)C(=N)N;CPGCWBQGGHBATG-UHFFFAOYSA-N;143.15;-0.63;;;;;DOPC;MDCG;27;1;"MARTINI bead: P3_Na";;;;;;;-1.1;;-7.46;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM393476;MM393476;N=CN1CC2C(O)C2(O)C1;VWWFZQJAZGBKCU-UHFFFAOYSA-N;142.16;-1.37;;;;;DOPC;MDCG;27;1;"MARTINI bead: SP1_SP2";;;;;;;-1.06;;-7.14;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM393477;MM393477;C=NOCC(C#N)C(=N)N;VZKIVJBMKQBPRE-UHFFFAOYSA-N;140.15;-0.31;;;;;DOPC;MDCG;27;1;"MARTINI bead: P2_P1";;;;;;;-1.06;;-5.8;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM393478;MM393478;O=CN1CC2C(O)C2(O)C1;HYJSKLBPRDDOOQ-UHFFFAOYSA-N;143.14;-1.82;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP1_SP2";;;;;;;-1.06;;-3.82;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM393479;MM393479;C=NOCC(C#N)C(N)=O;XHILIUSDRGJTKJ-UHFFFAOYSA-N;141.13;-0.76;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_P1";;;;;;;-1.06;;-3.82;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM393480;MM393480;CC1C2CN(C=N)CC12F;ADJFDUBKIBYLAA-UHFFFAOYSA-N;142.18;0.88;;;;;DOPC;MDCG;27;1;"MARTINI bead: SP1_SNa";;;;;;;0.04;;-5.86;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM393481;MM393481;C=NOCC(C#N)C(=C)F;JBHRSSTXJCARFM-UHFFFAOYSA-N;142.13;1.24;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_P1";;;;;;;0.81;;-0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM393482;MM393482;CC1C2CN(C=O)CC12F;PFPJFCBKQLHEFF-UHFFFAOYSA-N;143.16;0.43;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP1_SNa";;;;;;;0.04;;-2.54;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM393483;MM393483;C=CC(NCC#N)C(=C)C;FDZPQWIVDDWLTG-UHFFFAOYSA-N;136.2;1.23;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1_P3";;;;;;;0.94;;0.03;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM393484;MM393484;C=NN1CC2C(C)C2(C)C1;NDOQSGOBBZUPCZ-UHFFFAOYSA-N;138.21;1.19;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP1_SC5";;;;;;;0.81;;-0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM393485;MM393485;C=CCNC(C#N)C(=C)C;WBOTVOSOQMGBNY-UHFFFAOYSA-N;136.2;1.23;;;;;DOPC;MDCG;27;0;"MARTINI bead: N0_P1";;;;;;;0.34;;-1.53;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM393486;MM393486;C=NOC(=NNC)C(=C)F;UMQIHBZJCRLKRD-UHFFFAOYSA-N;145.14;0.63;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_C5";;;;;;;0.81;;-0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM393487;MM393487;C=C(C)C(C#N)NCC#N;UOONXDJOKXDWOJ-UHFFFAOYSA-N;135.17;0.57;;;;;DOPC;MDCG;27;0;"MARTINI bead: N0_P3";;;;;;;-0.8;;-2.99;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM393488;MM393488;C=NN1CC2C(F)C2(C)C1;FTFXDQPIZCNXOH-UHFFFAOYSA-N;142.18;0.89;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNa_SP1";;;;;;;0.04;;-2.54;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM393489;MM393489;C=CC1CNC(=NN)O1;IUZUJNVFPPDDBJ-UHFFFAOYSA-N;127.15;-0.61;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP2_SP1";;;;;;;-1.06;;-3.82;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM393490;MM393490;C=NN1CC2C(C)C2(N)C1;GELODENXTZQVGV-UHFFFAOYSA-N;139.2;-0.12;;;;;DOPC;MDCG;27;1;"MARTINI bead: SP1_SNd";;;;;;;0.04;;-4.37;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM393491;MM393491;CC(=O)C(C=O)NCC#N;YMJYZEYTMLNXEN-UHFFFAOYSA-N;140.14;-0.74;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_P2";;;;;;;-0.24;;-3.24;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM393492;MM393492;C=C1C=C(C)CC(O)C1=C;XEGLWRCAUSEMME-UHFFFAOYSA-N;136.19;1.81;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC2_SC5";;;;;;;3.6;;0.34;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM393493;MM393493;CC(=O)C(C#N)NCC=O;KSNRDRSAYQREIA-UHFFFAOYSA-N;140.14;-0.74;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_P2";;;;;;;-0.24;;-3.24;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM393494;MM393494;N=c1oc(=O)on1C=NN;LRPJRSFTCKMHLO-UHFFFAOYSA-N;144.09;-1.74;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_SP2";;;;;;;-1.06;;-3.82;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM393495;MM393495;C=CCNC(C#N)C(=N)N;RLNDBLNKYSIWGO-UHFFFAOYSA-N;138.17;-0.41;;;;;DOPC;MDCG;27;1;"MARTINI bead: P2_P1";;;;;;;-1.06;;-4.95;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM393496;MM393496;C=NN1CC2C(C)C2(F)C1;TZCWTOWQILSYJS-UHFFFAOYSA-N;142.18;0.89;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP1_SNa";;;;;;;0.04;;-2.54;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM393497;MM393497;N#CCNC(C=O)C(=N)N;WREMVAMVOQHFPX-UHFFFAOYSA-N;140.15;-1.4;;;;;DOPC;MDCG;27;1;"MARTINI bead: P4_P1";;;;;;;-2.01;;-7.62;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM393498;MM393498;CC1C2NN(C=N)CC12C;GYSGMKUZRYHFBI-UHFFFAOYSA-N;139.2;0.44;;;;;DOPC;MDCG;27;1;"MARTINI bead: SP3_SC5";;;;;;;-0.33;;-4.34;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM393499;MM393499;N#CC(NCC=O)C(=N)N;HCMCEKUCGSHLLT-UHFFFAOYSA-N;140.15;-1.4;;;;;DOPC;MDCG;27;1;"MARTINI bead: P2_P5";;;;;;;-2.22;;-7.61;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM393500;MM393500;CC1C2NN(C=N)CC12O;BFTBOJIHHNBJMK-UHFFFAOYSA-N;141.17;-0.84;;;;;DOPC;MDCG;27;1;"MARTINI bead: SP3_SNda";;;;;;;-1.1;;-5.75;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM393501;MM393501;C#CC1COC(=NN)N1;KSLCRJMIUUJUFX-UHFFFAOYSA-N;125.13;-1.16;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP2_SP2";;;;;;;-1.34;;-4.31;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM393502;MM393502;N=CN1CC2(O)C(N)C2N1;ROHFEADNSFOFSU-UHFFFAOYSA-N;142.16;-2.15;;;;;DOPC;MDCG;27;1;"MARTINI bead: SP3_SP2";;;;;;;-2.2;;-6.94;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM393503;MM393503;N#CCNC(C#N)C(N)=O;ZQUIONTVXYXBEX-UHFFFAOYSA-N;138.13;-1.52;;;;;DOPC;MDCG;27;0;"MARTINI bead: P4_P1";;;;;;;-2.01;;-5.13;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM393504;MM393504;CC1C2NN(C=N)CC12F;KHLPDZZSNRSKOY-UHFFFAOYSA-N;143.17;0.14;;;;;DOPC;MDCG;27;1;"MARTINI bead: SP3_SNa";;;;;;;-1.1;;-5.86;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM393505;MM393505;C=C(F)C(C#N)NCC#N;TXPFVUWDZDZFCN-UHFFFAOYSA-N;139.13;0.47;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda_P1";;;;;;;0.04;;-2.73;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM393506;MM393506;CC1C2CN(C=N)NC12C;AAWIJPOAYRMHLM-UHFFFAOYSA-N;139.2;0.44;;;;;DOPC;MDCG;27;1;"MARTINI bead: SP3_SC5";;;;;;;-0.33;;-4.38;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM393507;MM393507;C=CC(NNC=N)C(=C)C;QESVTIBWKPKHIQ-UHFFFAOYSA-N;139.2;0.82;;;;;DOPC;MDCG;27;1;"MARTINI bead: N0_P3";;;;;;;-0.8;;-5.86;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM393508;MM393508;CC1C2CN(C=O)NC12C;UEYAHFLGPMHYRQ-UHFFFAOYSA-N;140.19;-0.01;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP2_SC5";;;;;;;0.54;;-1.09;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM393509;MM393509;C#CC1CNC(=NN)O1;BQPFHWJYPVDIOI-UHFFFAOYSA-N;125.13;-1.16;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP2_SP2";;;;;;;-1.34;;-4.31;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM393510;MM393510;CC1C2CN(C=O)OC12C;FPXZWVCSDRICNH-UHFFFAOYSA-N;141.17;0.41;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP2_SC5";;;;;;;0.54;;-1.09;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM393511;MM393511;N#CC(NNC=N)C(=N)N;SCZDQLYEGFPWHW-UHFFFAOYSA-N;140.15;-1.48;;;;;DOPC;MDCG;27;1;"MARTINI bead: P2_P4";;;;;;;-2.29;;-8.62;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM393512;MM393512;CC12ON(C=O)CC1C2N;CERFAACVBOUHCN-UHFFFAOYSA-N;142.16;-0.89;;;;;DOPC;MDCG;27;1;"MARTINI bead: SP2_SP2";;;;;;;-1.34;;-5.72;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM393513;MM393513;N#CC(NNC=N)C(N)=O;HPUGXTKYIYBXEI-UHFFFAOYSA-N;141.13;-1.93;;;;;DOPC;MDCG;27;1;"MARTINI bead: P3_P4";;;;;;;-3.15;;-9.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM393514;MM393514;CN1C2CN(C=O)CC21C;ZGRXDVMIODGFHS-UHFFFAOYSA-N;140.19;-0.47;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP1_SNd";;;;;;;0.04;;-2.63;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM393515;MM393515;N#CC(NNC=O)C(N)=O;RFLBFRDSAMDVAY-UHFFFAOYSA-N;142.12;-2.39;;;;;DOPC;MDCG;27;0;"MARTINI bead: P3_P2";;;;;;;-2.2;;-5.19;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM393516;MM393516;C#CC1CC2C(C)C2(C)C1;DZVKHANEWOTVDF-UHFFFAOYSA-N;134.22;2.3;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC4_SC5";;;;;;;2.97;;0.45;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM393517;MM393517;CC(=O)C(C#N)OCC#N;IYOLCELMXXVRHS-UHFFFAOYSA-N;138.13;0.01;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_P2";;;;;;;-0.24;;-3.24;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM393518;MM393518;Cc1nc(=N)n(C=NN)o1;GHBFNHBRIUFOMH-UHFFFAOYSA-N;141.13;-0.99;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNa_SP2";;;;;;;-0.24;;-3.24;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM393519;MM393519;C=CCOC(C#N)C(=N)N;BJUOXPLEHVHDME-UHFFFAOYSA-N;139.16;0.02;;;;;DOPC;MDCG;27;1;"MARTINI bead: P2_Na";;;;;;;-0.24;;-4.43;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM393520;MM393520;C#CC1CC2C(C)C2(F)C1;LESIAQDTIXLFAP-UHFFFAOYSA-N;138.19;2;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC4_SC5";;;;;;;2.97;;0.45;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM393521;MM393521;N#CCOC(C=O)C(=N)N;AHKZHJOSLCDQKQ-UHFFFAOYSA-N;141.13;-0.97;;;;;DOPC;MDCG;27;1;"MARTINI bead: P3_Na";;;;;;;-1.1;;-6.76;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM393522;MM393522;C#CC1CC2(C)C(C)C2N1;IFIOQSHUGBALRE-UHFFFAOYSA-N;135.21;1.01;;;;;DOPC;MDCG;27;1;"MARTINI bead: SNd_SC5";;;;;;;1.64;;-2.3;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM393523;MM393523;N#CC(OCC=O)C(=N)N;RPPRACOEMGFOHS-UHFFFAOYSA-N;141.13;-0.97;;;;;DOPC;MDCG;27;1;"MARTINI bead: P3_Na";;;;;;;-1.1;;-5.38;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM393524;MM393524;C#CC1CC2(N)C(C)C2N1;KNYAKGJUVKZZRE-UHFFFAOYSA-N;136.2;-0.3;;;;;DOPC;MDCG;27;1;"MARTINI bead: SNd_SNd";;;;;;;0.87;;-4.41;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM393525;MM393525;C=CCOC(C=C)C(N)=O;OWTTYYARNZEPHL-UHFFFAOYSA-N;141.17;0.23;;;;;DOPC;MDCG;27;0;"MARTINI bead: P3_C4";;;;;;;0.23;;-1.03;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM393526;MM393526;C#CC1CC2(O)C(C)C2N1;OPIWNSLAPXSJHG-UHFFFAOYSA-N;137.18;-0.27;;;;;DOPC;MDCG;27;1;"MARTINI bead: SNd_SNda";;;;;;;0.87;;-3.65;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM393527;MM393527;NC(=O)C(C=O)OCC=O;CMZPCUVXAXTEOF-UHFFFAOYSA-N;145.11;-1.75;;;;;DOPC;MDCG;27;0;"MARTINI bead: P4_Na";;;;;;;-1.19;;-4.76;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM393528;MM393528;C#CC1CC2(C)C(C)C2O1;AJMBYAUSJXQFFT-UHFFFAOYSA-N;136.19;1.43;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNa_SC5";;;;;;;1.64;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM393529;MM393529;C=C(F)C(C#N)OCC#N;SGWCKDJQRAWYSW-UHFFFAOYSA-N;140.12;0.9;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_P2";;;;;;;0.54;;-1.09;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM393530;MM393530;CC=C1CC2C(C)C2(C)C1;QZUIQUIREJUEQN-UHFFFAOYSA-N;136.24;3;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC1_SC4";;;;;;;4.24;;0.42;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM393531;MM393531;C=CC(ONC=N)C(=C)C;OFDAJTSHYNXRCT-UHFFFAOYSA-N;140.19;1.25;;;;;DOPC;MDCG;27;1;"MARTINI bead: C1_P4";;;;;;;0.85;;-2.24;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM393532;MM393532;CC1C2CC(=CF)CC12C;KJCFIIAOLVPDLT-UHFFFAOYSA-N;140.2;2.91;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC4_SC5";;;;;;;2.97;;0.45;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM393533;MM393533;C=CC(ONC=O)C(=C)C;DQZWAGNPQQZXQZ-UHFFFAOYSA-N;141.17;0.79;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1_P4";;;;;;;0.85;;-0.64;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM393534;MM393534;CC=C1CC2C(N)C2(C)C1;KNAHOAHPMFYONM-UHFFFAOYSA-N;137.23;1.69;;;;;DOPC;MDCG;27;1;"MARTINI bead: SC1_SNd";;;;;;;2.91;;-0.15;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM393535;MM393535;N=CNOC(C=O)C(=N)N;LSLRDTWDRKRIPN-UHFFFAOYSA-N;144.13;-1.38;;;;;DOPC;MDCG;27;1;"MARTINI bead: P4_P2";;;;;;;-2.29;;-8.11;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM393536;MM393536;C=CC(C=C)C1CC1(C)O;YBIHUTNWSCWQQR-UHFFFAOYSA-N;138.21;1.75;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNda_C2";;;;;;;2.83;;0.57;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM393537;MM393537;N#CC(ONC=N)C(=N)N;YUDIDXKMADGJRB-UHFFFAOYSA-N;141.13;-1.06;;;;;DOPC;MDCG;27;1;"MARTINI bead: P3_P2";;;;;;;-2.2;;-6.82;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM393538;MM393538;N=C(CF)NC(CF)=NN;LRTZRUIIEHWRAS-UHFFFAOYSA-N;150.13;-0.24;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_Na";;;;;;;-0.24;;-3.24;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM393539;MM393539;NC(=O)C(C=O)ONC=O;ZGPNIHFJICKAIN-UHFFFAOYSA-N;146.1;-2.28;;;;;DOPC;MDCG;27;0;"MARTINI bead: P3_P2";;;;;;;-2.2;;-5.19;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM393541;MM393541;C=C(F)C(C=O)ONC=N;XOQSUOKMVSLNKN-UHFFFAOYSA-N;146.12;0.17;;;;;DOPC;MDCG;27;1;"MARTINI bead: C5_P4";;;;;;;-0.41;;-4.39;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM393540;MM393540;CC=C1CC2C(C)C2(N)C1;CIIQUXQBJNKCMR-UHFFFAOYSA-N;137.23;1.69;;;;;DOPC;MDCG;27;1;"MARTINI bead: SC1_SNd";;;;;;;2.91;;-0.64;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM393542;MM393542;CC(=N)N(C=N)CCC#N;OUOIHPIXRMAEDM-UHFFFAOYSA-N;138.17;0.81;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_P2";;;;;;;-0.24;;-5.43;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM393543;MM393543;CC=C1CC2C(N)C2(N)C1;SYWOTOQXZAJPKG-UHFFFAOYSA-N;138.21;0.38;;;;;DOPC;MDCG;27;1;"MARTINI bead: SC1_SP2";;;;;;;1.8;;-1.13;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM393544;MM393544;CC(=N)N(C=O)CCC#N;BQGVXCQODNFWAH-UHFFFAOYSA-N;139.16;0.36;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nd_P2";;;;;;;-0.24;;-3.16;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM393545;MM393545;CCC(=NN=C(C)C)NN;QLMRZZUXTJKENJ-UHFFFAOYSA-N;142.21;0.65;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nd_N0";;;;;;;1.17;;-1.04;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM393546;MM393546;CC(=O)N(C=O)CCC#N;GNRLXGJYVOKWMV-UHFFFAOYSA-N;140.14;-0.1;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_P1";;;;;;;-0.79;;-3.13;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM393547;MM393547;CC1C2CC(=CF)CC12O;YNIUHKQPHVXUQS-UHFFFAOYSA-N;142.17;1.63;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC4_SNda";;;;;;;2.2;;0.49;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM393548;MM393548;N=CN(CCC=O)C(=N)N;VNBLZGKTTIXXDZ-UHFFFAOYSA-N;142.16;-0.62;;;;;DOPC;MDCG;27;1;"MARTINI bead: P3_Na";;;;;;;-1.1;;-7.78;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM393549;MM393549;CC=C1CC2C(N)C2(O)C1;ZNVJZDLBSZCDEC-UHFFFAOYSA-N;139.2;0.41;;;;;DOPC;MDCG;27;1;"MARTINI bead: SC1_SP1";;;;;;;2.08;;-0.42;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM393550;MM393550;N#CCCN(C=O)C(=N)N;QTQPAEBYACYAOC-UHFFFAOYSA-N;140.15;-0.75;;;;;DOPC;MDCG;27;1;"MARTINI bead: P2_P2";;;;;;;-1.34;;-5.93;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM393551;MM393551;OC1C2CC(=CF)CC12O;OXNPITMCPRMMLH-UHFFFAOYSA-N;144.15;0.36;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC4_SP2";;;;;;;1.09;;-0.38;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM393552;MM393552;CC=C1COC(=NN)N1;BWUVVKXGUOKIQK-UHFFFAOYSA-N;127.15;-0.26;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP1_SP2";;;;;;;-1.06;;-3.82;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM393553;MM393553;CC=C1CC2C(C)C2(F)C1;RPZVASITCZJXCY-UHFFFAOYSA-N;140.2;2.7;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC1_SC4";;;;;;;4.24;;0.42;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM393554;MM393554;NC(=O)N(C=O)CCC=O;UIJSJWGEPPNGEQ-UHFFFAOYSA-N;144.13;-0.89;;;;;DOPC;MDCG;27;0;"MARTINI bead: P4_Na";;;;;;;-1.19;;-4.76;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM393555;MM393555;CC1C2CC(=CF)CC12F;PSNLFUMFZLHHII-UHFFFAOYSA-N;144.16;2.61;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC4_SNa";;;;;;;2.2;;0.34;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM393556;MM393556;CCC(O)CCC1CC1;USONYTFUVNKBOD-UHFFFAOYSA-N;128.22;1.95;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda_SC5";;;;;;;1.64;;0.05;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM393557;MM393557;CC1C2CC(=NN)CC12C;SGJTXRFLEJHHRE-UHFFFAOYSA-N;138.21;1.37;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNd_SC5";;;;;;;1.64;;0.02;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM393558;MM393558;N#CC#CC(F)C1CN1;PKGBZCPWGBQXHG-UHFFFAOYSA-N;124.12;-0.18;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_SP2";;;;;;;-0.24;;-3.24;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM393559;MM393559;CC1C2CC(=NO)CC12C;YUWLUAWCAWJKQI-UHFFFAOYSA-N;139.2;1.88;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNda_SC5";;;;;;;1.64;;0.05;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM393560;MM393560;C=CCNN(C=O)C(=C)C;XSYPENNZVJLWKB-UHFFFAOYSA-N;140.19;0.67;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_P1";;;;;;;0.04;;-2.54;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM393561;MM393561;C=CC(O)C(C)C(C)CC;NEDYNMGCWAGAQZ-UHFFFAOYSA-N;142.24;2.22;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1_C5";;;;;;;3.68;;0.46;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM393562;MM393562;CC(=O)N(C=N)NCC#N;XTDXTUDDYOGWOT-UHFFFAOYSA-N;140.15;-0.53;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_P3";;;;;;;-1.1;;-4.2;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM393563;MM393563;CC12CC(=NO)CC1C2O;WRKFWBLDYGINJA-UHFFFAOYSA-N;141.17;0.61;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNda_SNda";;;;;;;0.87;;-2.07;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM393564;MM393564;CC(=O)N(C=O)NCC#N;BYHPMVZFGPSQJY-UHFFFAOYSA-N;141.13;-0.98;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_P1";;;;;;;-1.06;;-3.82;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM393565;MM393565;CC12CC(=NN)CC1C2F;ULSJTXOONZWYOF-UHFFFAOYSA-N;142.18;1.07;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC4_SNd";;;;;;;2.2;;0.32;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM393566;MM393566;C=CCNN(C=C)C(=N)N;IZFRUXPKCMGBRK-UHFFFAOYSA-N;140.19;0.02;;;;;DOPC;MDCG;27;1;"MARTINI bead: P2_P1";;;;;;;-1.06;;-8.29;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM393567;MM393567;CC1C2CC(=NO)CC12N;UHYWDCQTRFISMC-UHFFFAOYSA-N;140.19;0.57;;;;;DOPC;MDCG;27;1;"MARTINI bead: SNda_SNd";;;;;;;0.87;;-4.3;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM393568;MM393568;C=CN(NCC#N)C(=N)N;IARWLGWMAYXLNG-UHFFFAOYSA-N;139.16;-0.65;;;;;DOPC;MDCG;27;1;"MARTINI bead: P2_P1";;;;;;;-1.06;;-7.26;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM393569;MM393569;NC12CC(=NO)CC1C2O;OHBIWMIGKYLDLM-UHFFFAOYSA-N;142.16;-0.7;;;;;DOPC;MDCG;27;1;"MARTINI bead: SP1_SNda";;;;;;;0.04;;-4.47;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM393570;MM393570;N#CCNN(C=N)C(=N)N;IGCHRXWKHUHHQD-UHFFFAOYSA-N;140.15;-1.18;;;;;DOPC;MDCG;27;1;"MARTINI bead: P4_P1";;;;;;;-2.01;;-7.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM393571;MM393571;CCC(C)=C(C)C(O)CC;VVDZCJKCKHWERG-UHFFFAOYSA-N;142.24;2.5;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda_C1";;;;;;;2.91;;0.57;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM393572;MM393572;N=C(N)N(C=O)NCC=O;WXNCXLGZTDTUIM-UHFFFAOYSA-N;144.13;-1.96;;;;;DOPC;MDCG;27;1;"MARTINI bead: P4_Na";;;;;;;-1.19;;-6.36;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM393573;MM393573;CC1C2CC(=NO)CC12O;VLRFETOYIFVXNX-UHFFFAOYSA-N;141.17;0.61;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNda_SNda";;;;;;;0.87;;-2.07;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM393574;MM393574;N#CCNN(C=O)C(=N)N;TVRJLDDIMGPFGW-UHFFFAOYSA-N;141.13;-1.63;;;;;DOPC;MDCG;27;1;"MARTINI bead: P4_P1";;;;;;;-2.01;;-6.6;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM393575;MM393575;CC1C2CC(=NN)CC12F;YQDHCVKNGHCAMO-UHFFFAOYSA-N;142.18;1.07;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNd_SNa";;;;;;;0.87;;-1.88;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM393576;MM393576;C=CC(C)(O)CC=C(C)C;GCIBXLKDWKQSNJ-UHFFFAOYSA-N;140.23;2.28;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1_Nda";;;;;;;2.91;;0.57;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM393577;MM393577;CC1C2CC(=NO)CC12F;RLHDFBRNYNUEMG-UHFFFAOYSA-N;143.16;1.58;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNda_SNa";;;;;;;0.87;;-1.99;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM393578;MM393578;CCC(C)CC(C)C(C)O;CGRIEYNIJQGHBV-UHFFFAOYSA-N;144.26;2.44;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1_Nda";;;;;;;2.91;;0.57;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM393579;MM393579;CN=C1CC2(C)C(C)C2N1;VQDYKUZALBESQQ-UHFFFAOYSA-N;138.21;1.03;;;;;DOPC;MDCG;27;1;"MARTINI bead: SNd_SN0";;;;;;;1.17;;-4.85;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM393580;MM393580;C=CC(C)=CC(C)C(C)O;RVRJRZABPVNBIY-UHFFFAOYSA-N;140.23;2.14;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda_C3";;;;;;;2.57;;0.44;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM393581;MM393581;CC1C2N=C(NN)CC12C;YCKDCZABUGSGLZ-UHFFFAOYSA-N;139.2;0.28;;;;;DOPC;MDCG;27;1;"MARTINI bead: SNd_SC5";;;;;;;1.64;;-1.97;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM393582;MM393582;C=CN(OCC=O)C(C)=N;DSWCXJZOYPQCQC-UHFFFAOYSA-N;142.16;0.56;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_P2";;;;;;;-0.24;;-5.2;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM393583;MM393583;CN=C1CC2(C)C(N)C2N1;FSPBSUVBHGEKPL-UHFFFAOYSA-N;139.2;-0.28;;;;;DOPC;MDCG;27;1;"MARTINI bead: SNd_SP2";;;;;;;-0.24;;-6.59;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM393584;MM393584;CC(=O)N(C=O)OCC=O;AWUWQYINNXJAHS-UHFFFAOYSA-N;145.11;-0.88;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_Na";;;;;;;-0.24;;-3.24;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM393585;MM393585;CN=C1CC2(C)C(O)C2N1;RYDGKAUUVUTWLV-UHFFFAOYSA-N;140.19;-0.24;;;;;DOPC;MDCG;27;1;"MARTINI bead: SNd_SP1";;;;;;;0.04;;-5.79;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM393586;MM393586;N=CN(OCC=O)C(=N)N;PTANVDXGCXMKEH-UHFFFAOYSA-N;144.13;-1.08;;;;;DOPC;MDCG;27;1;"MARTINI bead: P4_Na";;;;;;;-1.19;;-6.65;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM393587;MM393587;CC12CC(NN)=NC1C2O;PBDWSWJSOSWPNL-UHFFFAOYSA-N;141.17;-1;;;;;DOPC;MDCG;27;1;"MARTINI bead: SNda_SNd";;;;;;;0.87;;-3.33;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM393588;MM393588;CC(C=O)=CC(C)C(C)O;RIWKVAXVFLUJBK-UHFFFAOYSA-N;142.2;1.15;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda_Na";;;;;;;0.87;;-1.99;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM393589;MM393589;C=CC(F)C(C)=NOC=O;HEXQUEXAEPZHSN-UHFFFAOYSA-N;145.13;1.06;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_C3";;;;;;;1.46;;-0.15;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM393590;MM393590;C#CC1=CC(=C)C(C)(O)C1;YWPWHFTWKXWNRD-UHFFFAOYSA-N;134.18;1.26;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNda_SC5";;;;;;;1.64;;0.05;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM393591;MM393591;CN=C1CC2(N)C(C)C2N1;JAUJPHMQPIKGBF-UHFFFAOYSA-N;139.2;-0.28;;;;;DOPC;MDCG;27;1;"MARTINI bead: SNd_SP2";;;;;;;-0.24;;-6.32;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM393592;MM393592;NC(=O)N(C=O)OCC=O;SEPSAPGOQKLBBF-UHFFFAOYSA-N;146.1;-1.35;;;;;DOPC;MDCG;27;0;"MARTINI bead: P3_Na";;;;;;;-1.1;;-4.2;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM393593;MM393593;CN=C1CC2(N)C(N)C2N1;WCVJCVFEKHLEIK-UHFFFAOYSA-N;140.19;-1.59;;;;;DOPC;MDCG;27;1;"MARTINI bead: SNd_SP3";;;;;;;-1.1;;-6.72;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM393594;MM393594;C#CCCC(C=C)C(=C)C;GAYXVAORSLHAQJ-UHFFFAOYSA-N;134.22;2.78;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1_C5";;;;;;;3.68;;0.46;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM393595;MM393595;CN=C1CC2(O)C(C)C2N1;FIDLXHUUALBXIA-UHFFFAOYSA-N;140.19;-0.24;;;;;DOPC;MDCG;27;1;"MARTINI bead: SNd_SP1";;;;;;;0.04;;-5.28;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM393596;MM393596;C#CCCC(C=C)C(C)=O;OMTVFWDIFZVEBZ-UHFFFAOYSA-N;136.19;1.79;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_C5";;;;;;;1.64;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM393597;MM393597;CN=C1CC2(O)C(N)C2N1;BKJQSAWCDAYEOA-UHFFFAOYSA-N;141.17;-1.55;;;;;DOPC;MDCG;27;1;"MARTINI bead: SNd_SP3";;;;;;;-1.1;;-6.2;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM393598;MM393598;C#CCCC(C#N)C(N)=O;WAAMWJXZIVNBME-UHFFFAOYSA-N;136.15;0.02;;;;;DOPC;MDCG;27;0;"MARTINI bead: P3_C5";;;;;;;-0.33;;-2.01;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM393599;MM393599;CN=C1CC2(O)C(O)C2N1;FJVXWIPQOOPMOW-UHFFFAOYSA-N;142.16;-1.52;;;;;DOPC;MDCG;27;1;"MARTINI bead: SNd_SP2";;;;;;;-0.24;;-5.13;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM393600;MM393600;CC(C)NC(=NN)OC=O;SEMAWKVFCALEMA-UHFFFAOYSA-N;145.16;-0.61;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nd_P1";;;;;;;0.04;;-2.63;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM393601;MM393601;CC=C1CC2(C)C(C)C2O1;QGJMMXLXAJGNGF-UHFFFAOYSA-N;138.21;2.34;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC5_SN0";;;;;;;1.94;;0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM393602;MM393602;C#CCNC(C#N)C(=N)N;XVPADQZOZKZTPU-UHFFFAOYSA-N;136.16;-0.96;;;;;DOPC;MDCG;27;1;"MARTINI bead: P2_P2";;;;;;;-1.34;;-5.43;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM393603;MM393603;CC=C1CC2(C)C(O)C2O1;AWEBMACEVFZRPQ-UHFFFAOYSA-N;140.18;1.06;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC5_SP1";;;;;;;0.81;;-0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM393604;MM393604;C=C(C)NC(=NN)OCC;BGDKNQSFKJQCMO-UHFFFAOYSA-N;143.19;0.38;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_C4";;;;;;;1.09;;-0.37;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM393605;MM393605;CC=C1CC2(N)C(N)C2O1;IEHUPBLTSYGLTM-UHFFFAOYSA-N;140.19;-0.28;;;;;DOPC;MDCG;27;1;"MARTINI bead: SC5_SP3";;;;;;;-0.33;;-3.42;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM393606;MM393606;C#CCOC(C=O)C(C)=O;VAMLRUKKEDOFJT-UHFFFAOYSA-N;140.14;-0.21;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_N0";;;;;;;0.06;;-2.21;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM393607;MM393607;NC1C2OC(=CF)CC12N;MXDUXNFZMXYQLF-UHFFFAOYSA-N;144.15;-0.38;;;;;DOPC;MDCG;27;1;"MARTINI bead: SNa_SP3";;;;;;;-1.1;;-5.61;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM393608;MM393608;C#CCOC(C=O)C(=N)N;WDZHOQRGMWSFPP-UHFFFAOYSA-N;140.14;-0.86;;;;;DOPC;MDCG;27;1;"MARTINI bead: P4_N0";;;;;;;-0.88;;-6.23;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM393609;MM393609;CC=C1CC2(O)C(C)C2O1;PIBSMVLPVAWOQP-UHFFFAOYSA-N;140.18;1.06;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC5_SP1";;;;;;;0.81;;-0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM393610;MM393610;C#CCOC(C=O)C(N)=O;KPCBTXNTROYEQH-UHFFFAOYSA-N;141.13;-1.31;;;;;DOPC;MDCG;27;0;"MARTINI bead: P4_N0";;;;;;;-0.88;;-3.74;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM393611;MM393611;CC=C1CC2(F)C(C)C2O1;YPTCPIZXYRUGET-UHFFFAOYSA-N;142.17;2.04;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC5_SNa";;;;;;;1.64;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM393612;MM393612;C#CCCN(C=C)C(C)=O;GYYSNQVFSNDEDW-UHFFFAOYSA-N;137.18;1;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_Nd";;;;;;;0.87;;-1.88;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM393613;MM393613;CC12CC(=NO)OC1C2N;ZYHYBIGTVOXOIW-UHFFFAOYSA-N;142.16;-0.09;;;;;DOPC;MDCG;27;1;"MARTINI bead: SP1_SP1";;;;;;;-0.79;;-4.61;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM393614;MM393614;C#CCCN(C=O)C(C)=O;JGHZRNYKSHKVPE-UHFFFAOYSA-N;139.15;0.01;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_N0";;;;;;;0.34;;-1.53;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM393615;MM393615;C#CC(=O)C#CCON=C;WBMBDAWVRFMWCK-UHFFFAOYSA-N;135.12;-0.18;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_Na";;;;;;;0.87;;-2.22;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM393616;MM393616;C#CCCN(C=N)C(=N)N;LVEDDVHJUJNBQD-UHFFFAOYSA-N;138.17;-0.19;;;;;DOPC;MDCG;27;1;"MARTINI bead: P3_N0";;;;;;;-0.8;;-6.59;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM393617;MM393617;CC12CC(=NO)OC1C2O;XQMBFDFAOWGERX-UHFFFAOYSA-N;143.14;-0.06;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP1_SP1";;;;;;;-0.79;;-3.13;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM393618;MM393618;C#CCCN(C=O)C(=N)N;LYXDRFYQFNMQPX-UHFFFAOYSA-N;139.16;-0.64;;;;;DOPC;MDCG;27;1;"MARTINI bead: P3_N0";;;;;;;-0.8;;-4.8;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM393619;MM393619;NC1C2OC(=NO)CC12N;AWKZHEFRYAWQCJ-UHFFFAOYSA-N;143.15;-1.4;;;;;DOPC;MDCG;27;1;"MARTINI bead: SP1_SP3";;;;;;;-1.93;;-5.89;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM393620;MM393620;CC(=O)OC(=NN)N(C)C;XEHBDGJWGGZDRC-UHFFFAOYSA-N;145.16;-0.66;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_Na";;;;;;;-0.24;;-3.24;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM393621;MM393621;C#CC(=N)N(C=NN)OC;ZYBVLRMPLJEBNY-UHFFFAOYSA-N;140.15;-0.64;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_P1";;;;;;;-0.79;;-3.13;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM393622;MM393622;C#CCNN(C=N)C(C)=O;JRMNJXHPUSPMDC-UHFFFAOYSA-N;139.16;-0.42;;;;;DOPC;MDCG;27;0;"MARTINI bead: P3_N0";;;;;;;-0.8;;-2.99;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM393623;MM393623;CN=C1CC2C(C)C2(C)N1;LLQOPOWMQYVIOT-UHFFFAOYSA-N;138.21;1.03;;;;;DOPC;MDCG;27;1;"MARTINI bead: SNd_SN0";;;;;;;1.17;;-4.73;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM393624;MM393624;C#CCNN(C=C)C(=N)N;NISFXFXOCSQBFT-UHFFFAOYSA-N;138.17;-0.54;;;;;DOPC;MDCG;27;1;"MARTINI bead: P2_P2";;;;;;;-1.34;;-8.73;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM393625;MM393625;CC1C2CC(=NN)NC12C;SDPWTVUXTOBEAY-UHFFFAOYSA-N;139.2;0.28;;;;;DOPC;MDCG;27;1;"MARTINI bead: SNd_SC5";;;;;;;1.64;;-1.28;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM393626;MM393626;C#CCNN(C=N)C(=N)N;DFTZBGWEQWWFOV-UHFFFAOYSA-N;139.16;-1.07;;;;;DOPC;MDCG;27;1;"MARTINI bead: P4_N0";;;;;;;-0.88;;-6.87;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM393627;MM393627;C=CNC(=NN)C(F)=CN;ANVPWBUPUHICTB-UHFFFAOYSA-N;144.15;-0.24;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda_P1";;;;;;;0.04;;-2.73;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM393628;MM393628;CCOC(=N)NC=NNC;QRLIVQIQUXULPA-UHFFFAOYSA-N;144.18;-0.29;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_P3";;;;;;;-0.33;;-2.01;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM393629;MM393629;CN=C1CC2C(N)C2(C)N1;MNEDZHWWRAVMFJ-UHFFFAOYSA-N;139.2;-0.28;;;;;DOPC;MDCG;27;1;"MARTINI bead: SNd_SP2";;;;;;;-0.24;;-6.48;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM393630;MM393630;C=NOC(=NOC)C(F)F;NRAXPKOTFBMGIK-UHFFFAOYSA-N;152.1;0.84;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_N0";;;;;;;1.17;;-1.18;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM393631;MM393631;CC12N=C(NN)CC1C2O;VPRSYTCBJKESCK-UHFFFAOYSA-N;141.17;-1;;;;;DOPC;MDCG;27;1;"MARTINI bead: SNda_SNd";;;;;;;0.87;;-3.2;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM393632;MM393632;CON=C(C=CF)C(C)=O;GFQZDROFSXTVJD-UHFFFAOYSA-N;145.13;1.06;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_Na";;;;;;;0.87;;-2.22;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM393633;MM393633;CN=C1CC2C(F)C2(C)N1;BARPUUUXMZJFJK-UHFFFAOYSA-N;142.18;0.73;;;;;DOPC;MDCG;27;1;"MARTINI bead: SNd_SNa";;;;;;;0.87;;-4.79;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM393634;MM393634;C#CCON(C=O)C(=C)C;RKAIJVAWKYVYSY-UHFFFAOYSA-N;139.15;0.54;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_N0";;;;;;;0.34;;-1.53;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM393635;MM393635;CN=C1NC2C(C)C2(C)N1;JFXHNBORAYCDFA-UHFFFAOYSA-N;139.2;-0.06;;;;;DOPC;MDCG;27;1;"MARTINI bead: SP1_SP2";;;;;;;-1.06;;-7.86;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM393636;MM393636;C#CCON(C=C)C(C)=N;DWVFTTKQNIUBBZ-UHFFFAOYSA-N;138.17;0.99;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1_N0";;;;;;;0.34;;-3.53;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM393637;MM393637;CC1C2NC(=NN)NC12C;WRDGWQKDTRLCLY-UHFFFAOYSA-N;140.19;-0.81;;;;;DOPC;MDCG;27;1;"MARTINI bead: SP2_SC5";;;;;;;0.54;;-3.73;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM393638;MM393638;C#CCON(C=N)C(=N)N;ZKKZEOQCPDMCBI-UHFFFAOYSA-N;140.15;-0.65;;;;;DOPC;MDCG;27;1;"MARTINI bead: P4_N0";;;;;;;-0.88;;-5.65;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM393639;MM393639;CC12NC(=NN)NC1C2O;FZWJEVFXKVELMT-UHFFFAOYSA-N;142.16;-2.09;;;;;DOPC;MDCG;27;1;"MARTINI bead: SP3_SP2";;;;;;;-2.2;;-6.82;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM393640;MM393640;CCC=C1CC2CC2(O)C1;MLBHGIXTILFXAH-UHFFFAOYSA-N;138.21;1.87;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC1_SNda";;;;;;;2.91;;0.57;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM393641;MM393641;C=CC(=O)C(=NNC)OC;FMAPKXHPARTAER-UHFFFAOYSA-N;142.16;-0.08;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_N0";;;;;;;0.34;;-1.53;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM393642;MM393642;C#CCON(C=O)C(N)=O;MHVLZKWGQHTUMO-UHFFFAOYSA-N;142.11;-0.91;;;;;DOPC;MDCG;27;0;"MARTINI bead: P3_N0";;;;;;;-0.8;;-2.99;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM393643;MM393643;CC=C1CC2C(C)C2(C)O1;HXSLYLIUJYGGEM-UHFFFAOYSA-N;138.21;2.34;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC5_SN0";;;;;;;1.94;;0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM393644;MM393644;C#CC(CCCC)C(=C)C;GUOKLTCAKYBHMT-UHFFFAOYSA-N;136.24;3;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1_C4";;;;;;;4.24;;0.42;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM393645;MM393645;CC1C2CC(=CF)OC12C;YBYMUMFNHQGCJC-UHFFFAOYSA-N;142.17;2.24;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNa_SC5";;;;;;;1.64;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM393646;MM393646;C#CC(CCCN)C(=C)C;XXLNAIDLGHYOAJ-UHFFFAOYSA-N;137.23;1.55;;;;;DOPC;MDCG;27;1;"MARTINI bead: C4_Nd";;;;;;;2.2;;-2.21;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM393647;MM393647;CC=C1CC2C(N)C2(C)O1;FTUGKKJXYSFWFO-UHFFFAOYSA-N;139.2;1.03;;;;;DOPC;MDCG;27;1;"MARTINI bead: SC5_SP1";;;;;;;0.81;;-2.37;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM393648;MM393648;COC(=NN)N1CC1(C)C;GRTDVTUVQKWUKQ-UHFFFAOYSA-N;143.19;-0.04;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_SP1";;;;;;;-1.06;;-3.82;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM393649;MM393649;CC12OC(=CF)CC1C2N;DFDCBCLGUFMFRF-UHFFFAOYSA-N;143.16;0.93;;;;;DOPC;MDCG;27;1;"MARTINI bead: SP1_SNa";;;;;;;0.04;;-4.42;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM393650;MM393650;C#CC(CCCC)C(C)=O;DBZUBRUUROVPSW-UHFFFAOYSA-N;138.21;2.02;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1_Na";;;;;;;2.91;;0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM393651;MM393651;CC=C1CC2C(O)C2(C)O1;QHMABJSLEYQSIA-UHFFFAOYSA-N;140.18;1.06;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC5_SNda";;;;;;;1.64;;0.05;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM393652;MM393652;C#CC(CCCF)C(C)=O;PABPXHVBHKDXKB-UHFFFAOYSA-N;142.17;1.57;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_C5";;;;;;;1.64;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM393653;MM393653;CON=CN(C=NN)OC;ZKOXPMQNTAAREL-UHFFFAOYSA-N;146.15;-0.66;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_P1";;;;;;;-0.79;;-3.13;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM393654;MM393654;C#CC(CCCF)C(=N)N;GQQJFEZRBQWTRK-UHFFFAOYSA-N;142.18;0.92;;;;;DOPC;MDCG;27;1;"MARTINI bead: P3_C4";;;;;;;0.23;;-4.6;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM393655;MM393655;CC1C2CC(=NO)OC12C;KBBFPBWAYFWDPA-UHFFFAOYSA-N;141.17;1.22;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP1_SC5";;;;;;;0.81;;-0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM393656;MM393656;C#CC(CCCC)C(=O)O;RHYAMRPYLMUAIO-UHFFFAOYSA-N;140.18;1.51;;;;;DOPC;MDCG;27;-1;"MARTINI bead: C1_P1";;;;;;;2.08;;-1.3;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM393657;MM393657;CC12OC(=NO)CC1C2N;VSMXPDIOCQCOTD-UHFFFAOYSA-N;142.16;-0.09;;;;;DOPC;MDCG;27;1;"MARTINI bead: SP1_SP1";;;;;;;-0.79;;-4.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM393658;MM393658;C#CC(CCCN)C(=C)F;OREYFQIUXZDGJU-UHFFFAOYSA-N;141.19;1.46;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_C5";;;;;;;1.64;;-2.69;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM393659;MM393659;CC12OC(=NO)CC1C2O;LGZOIDRQRPCNNV-UHFFFAOYSA-N;143.14;-0.06;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNda_SP1";;;;;;;0.04;;-2.73;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM393660;MM393660;C#CC(CCNC)C(=C)C;FQKNDFMBOGIZRO-UHFFFAOYSA-N;137.23;1.42;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1_C4";;;;;;;1.37;;-3.04;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM393661;MM393661;CC1C2OC(=NO)OC12C;PZDQQMPIHGWPNL-UHFFFAOYSA-N;143.14;0.56;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP2_SC5";;;;;;;0.54;;-1.09;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM393662;MM393662;C#CC(CCOC)C(C)=O;ZSQOJBLSOUIRHH-UHFFFAOYSA-N;140.18;0.86;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_Na";;;;;;;0.87;;-2.22;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM393663;MM393663;CC=C1CC2N(C)C2(C)C1;HAIZPGWQVKJWOY-UHFFFAOYSA-N;137.23;1.8;;;;;DOPC;MDCG;27;1;"MARTINI bead: SC1_SNd";;;;;;;2.91;;0.53;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM393664;MM393664;C#CC(CNCC)C(=C)C;ZCOVRFOVTGBYND-UHFFFAOYSA-N;137.23;1.42;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_C4";;;;;;;2.2;;-2.14;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM393665;MM393665;C=CN(N)C(=NN)C(C)F;CNVGSSVOXPYKEF-UHFFFAOYSA-N;146.17;-0.06;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_P2";;;;;;;0.54;;-1.09;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM393666;MM393666;C#CC(CNCC)C(=C)F;PTTRXJZJFJXTRX-UHFFFAOYSA-N;141.19;1.33;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_C5";;;;;;;1.64;;-2.17;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM393667;MM393667;CCC1=CC2C(C)C2(C)C1;KWBDGIXNLYAFSV-UHFFFAOYSA-N;136.24;3;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC2_SC5";;;;;;;3.6;;0.34;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM393668;MM393668;CCC(C)CCC(O)CC;MFYHIHFYDULUQP-UHFFFAOYSA-N;144.26;2.58;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1_Nda";;;;;;;2.91;;0.57;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM393669;MM393669;CC1C2C=C(CN)CC12C;KJNKEBLWQOYSGH-UHFFFAOYSA-N;137.23;1.55;;;;;DOPC;MDCG;27;1;"MARTINI bead: SNd_SC5";;;;;;;1.64;;-2.14;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM393670;MM393670;C#CC(OCCN)C(=C)C;CWYHGAMUEWYGDD-UHFFFAOYSA-N;139.2;0.54;;;;;DOPC;MDCG;27;1;"MARTINI bead: C4_P3";;;;;;;0.23;;-3.04;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM393671;MM393671;CC1C2C=C(CO)CC12C;FSJVTFPLWRIXEL-UHFFFAOYSA-N;138.21;1.58;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNda_SC5";;;;;;;1.64;;0.05;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM393672;MM393672;C#CC(OCCC)C(=N)N;AXMPTTWXKYFMIB-UHFFFAOYSA-N;140.19;0.35;;;;;DOPC;MDCG;27;1;"MARTINI bead: C4_P3";;;;;;;0.23;;-3.27;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM393673;MM393673;CC1C2C=C(CF)CC12C;OAOVIOKLTDNNIK-UHFFFAOYSA-N;140.2;2.56;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC5_SC5";;;;;;;2.41;;0.64;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM393674;MM393674;C#CC(OCCN)C(=N)N;BMRGIAFVULEERE-UHFFFAOYSA-N;141.17;-1.1;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1_P3";;;;;;;-1.93;;-7.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM393675;MM393675;CCC1=CC2C(N)C2(C)C1;ZXEMJUXJVLRMJE-UHFFFAOYSA-N;137.23;1.69;;;;;DOPC;MDCG;27;1;"MARTINI bead: SC2_SNd";;;;;;;2.83;;-0.28;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM393676;MM393676;C#CC(OCCN)C(N)=O;TVUCMEJCQILSFF-UHFFFAOYSA-N;142.16;-1.55;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1_P3";;;;;;;-1.93;;-6.44;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM393677;MM393677;CC12CC(CN)=CC1C2N;XKMAFTSSEPRRKI-UHFFFAOYSA-N;138.21;0.24;;;;;DOPC;MDCG;27;1;"MARTINI bead: SNd_SNd";;;;;;;0.87;;-4.69;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM393678;MM393678;C#CC(OCCO)C(N)=O;RSDUIPBPOFFJHU-UHFFFAOYSA-N;143.14;-1.52;;;;;DOPC;MDCG;27;0;"MARTINI bead: P3_P1";;;;;;;-1.93;;-4.72;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM393679;MM393679;CC12CC(CO)=CC1C2N;XSPYPJKZRSKXCH-UHFFFAOYSA-N;139.2;0.27;;;;;DOPC;MDCG;27;1;"MARTINI bead: SNd_SNda";;;;;;;0.87;;-4.21;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM393680;MM393680;C=Cc1nc(=O)onc1O;CVWNGIFTLVMRPL-UHFFFAOYSA-N;140.1;-0.22;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP3_SP2";;;;;;;-2.2;;-9.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM393681;MM393681;CC12CC(CN)=CC1C2O;BJLILSLWLCVEND-UHFFFAOYSA-N;139.2;0.27;;;;;DOPC;MDCG;27;1;"MARTINI bead: SNda_SNd";;;;;;;0.87;;-4.16;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM393682;MM393682;C#CC(OCOC)C(=N)N;SNQSBGNNWFDPAD-UHFFFAOYSA-N;142.16;-0.46;;;;;DOPC;MDCG;27;1;"MARTINI bead: P2_P1";;;;;;;-1.06;;-6.03;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM393683;MM393683;CCC1=CC2C(F)C2(C)C1;XMSFFHZIGRQBMR-UHFFFAOYSA-N;140.2;2.7;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC2_SC5";;;;;;;3.6;;0.34;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM393684;MM393684;C#CC(OCOC)C(N)=O;GKSTVFJKGFPRID-UHFFFAOYSA-N;143.14;-0.91;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_P3";;;;;;;-1.1;;-4.2;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM393685;MM393685;CC12CC(CN)=CC1C2F;WAAVANMTTCNIBK-UHFFFAOYSA-N;141.19;1.25;;;;;DOPC;MDCG;27;1;"MARTINI bead: SC5_SNd";;;;;;;1.64;;-2.14;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM393686;MM393686;C#CC(CCC=C)C(=C)C;RMIVSBVAXRRMMV-UHFFFAOYSA-N;134.22;2.78;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4_C3";;;;;;;3.9;;0.47;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM393687;MM393687;CCC1=CC2C(C)C2(N)C1;VJKQDRRQIRSYAN-UHFFFAOYSA-N;137.23;1.69;;;;;DOPC;MDCG;27;1;"MARTINI bead: SC2_SNd";;;;;;;2.83;;-0.8;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM393688;MM393688;C#CC(CCC=O)C(=C)C;QPTJBMVYBHBQSS-UHFFFAOYSA-N;136.19;1.79;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4_Na";;;;;;;2.2;;0.34;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM393689;MM393689;CC1C2C=C(CN)CC12N;XJBJAOBGFIOQLJ-UHFFFAOYSA-N;138.21;0.24;;;;;DOPC;MDCG;27;1;"MARTINI bead: SNd_SNd";;;;;;;0.87;;-5.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM393690;MM393690;C#CC(CCC=C)C(C)=O;QZAHZNWYIOBBHH-UHFFFAOYSA-N;136.19;1.79;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_C3";;;;;;;2.57;;0.45;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM393691;MM393691;CC1C2C=C(CO)CC12N;PGOHKUCWEDCDHO-UHFFFAOYSA-N;139.2;0.27;;;;;DOPC;MDCG;27;1;"MARTINI bead: SNda_SNd";;;;;;;0.87;;-4.47;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM393692;MM393692;C#CC(CCC=O)C(C)=O;YEDVODNZXCGBOZ-UHFFFAOYSA-N;138.17;0.8;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_Na";;;;;;;0.87;;-2.22;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM393693;MM393693;CC1C2C=C(CF)CC12N;CHRNSNFMBNGILG-UHFFFAOYSA-N;141.19;1.25;;;;;DOPC;MDCG;27;1;"MARTINI bead: SC5_SNd";;;;;;;1.64;;-2.75;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM393694;MM393694;C#CC(CNC=N)C(=C)C;HKBCHILREFPIHM-UHFFFAOYSA-N;136.2;1.01;;;;;DOPC;MDCG;27;1;"MARTINI bead: C4_P3";;;;;;;0.23;;-4.95;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM393695;MM393695;CCC1=CC2C(N)C2(N)C1;JGYBZARIFGDCHD-UHFFFAOYSA-N;138.21;0.38;;;;;DOPC;MDCG;27;1;"MARTINI bead: SC2_SP2";;;;;;;1.72;;-1.5;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM393696;MM393696;COC(=O)ON=C(C)NN;GDTCTTXDYFQFOP-UHFFFAOYSA-N;147.13;-0.43;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_P2";;;;;;;-0.24;;-3.24;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM393697;MM393697;NC1C2C=C(CO)CC12N;MKMAOLLWOZLDTA-UHFFFAOYSA-N;140.19;-1.04;;;;;DOPC;MDCG;27;1;"MARTINI bead: SNda_SP3";;;;;;;-1.1;;-5.99;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM393698;MM393698;C#CC(CNC=N)C(=N)N;OSQKSXNIQJOXBT-UHFFFAOYSA-N;138.17;-0.63;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1_P3";;;;;;;-1.93;;-8.5;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM393699;MM393699;CCC1=CC2C(O)C2(N)C1;STPQLDBHMJEBDB-UHFFFAOYSA-N;139.2;0.41;;;;;DOPC;MDCG;27;1;"MARTINI bead: SC2_SP2";;;;;;;1.72;;-1.46;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM393700;MM393700;C#CC(CNC=N)C(=C)F;XVYSAEJDGZWXAX-UHFFFAOYSA-N;140.16;0.92;;;;;DOPC;MDCG;27;1;"MARTINI bead: C4_P3";;;;;;;0.23;;-4.91;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM393701;MM393701;NCC1=CC2C(O)C2(N)C1;OGRUDIPIMBNVJF-UHFFFAOYSA-N;140.19;-1.04;;;;;DOPC;MDCG;27;1;"MARTINI bead: SNd_SP2";;;;;;;-0.24;;-5.65;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM393702;MM393702;C#CC(CNC=O)C(=C)F;PXLBKUDPLDPHFE-UHFFFAOYSA-N;141.15;0.47;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4_P3";;;;;;;0.23;;-1.03;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM393703;MM393703;CCC1=CC2C(F)C2(N)C1;LITRRWJNXAQSQD-UHFFFAOYSA-N;141.19;1.39;;;;;DOPC;MDCG;27;1;"MARTINI bead: SC2_SNda";;;;;;;2.83;;0.27;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM393704;MM393704;C#CC(CNN=C)C(=C)C;UXVFXDBIRHXGAV-UHFFFAOYSA-N;136.2;1.02;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4_P2";;;;;;;1.09;;-0.38;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM393705;MM393705;Nc1noc(=O)ncc1=O;GMZVZCRCQQEXDD-UHFFFAOYSA-N;141.09;-1.63;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP3_SP2";;;;;;;-2.2;;-5.19;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM393706;MM393706;C#CC(COC=O)C(=C)C;JUSDAWMFMJMEJJ-UHFFFAOYSA-N;138.17;0.98;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4_P1";;;;;;;1.37;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM393707;MM393707;CC1C2C=C(CN)CC12O;LRUDPEXQIIEBSI-UHFFFAOYSA-N;139.2;0.27;;;;;DOPC;MDCG;27;1;"MARTINI bead: SNd_SNda";;;;;;;0.87;;-3.86;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM393708;MM393708;C#CC(COC=C)C(C)=O;IPFIYGFJOPEQQN-UHFFFAOYSA-N;138.17;0.98;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_Na";;;;;;;0.87;;-2.22;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM393709;MM393709;CC1C2C=C(CO)CC12O;JEDCFWWERIBDPZ-UHFFFAOYSA-N;140.18;0.31;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNda_SNda";;;;;;;0.87;;-2.07;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM393710;MM393710;C#CC(COC=O)C(=N)N;QXRUSOHZWPSVPM-UHFFFAOYSA-N;140.14;-0.66;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1_P1";;;;;;;-0.79;;-6.27;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM393711;MM393711;CC1C2C=C(CF)CC12O;VFFADKPKCITTRY-UHFFFAOYSA-N;142.17;1.28;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC5_SNda";;;;;;;1.64;;0.05;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM393712;MM393712;C#CC(COC=O)C(=C)F;UXURETNGOLXYFS-UHFFFAOYSA-N;142.13;0.89;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_P1";;;;;;;0.81;;-0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM393713;MM393713;CCC1=CC2C(N)C2(O)C1;WWVPBAFLZHYFRF-UHFFFAOYSA-N;139.2;0.41;;;;;DOPC;MDCG;27;1;"MARTINI bead: SC2_SP2";;;;;;;1.72;;-1.26;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM393714;MM393714;C#CC(NCC#N)C(=C)C;AEKNFUXJGPRXDY-UHFFFAOYSA-N;134.18;0.68;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nd_P1";;;;;;;0.04;;-2.63;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM393715;MM393715;NC1C2C=C(CO)CC12O;ZZKZKZHANJNRSS-UHFFFAOYSA-N;141.17;-1;;;;;DOPC;MDCG;27;1;"MARTINI bead: SNda_SP2";;;;;;;-0.24;;-5.26;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM393716;MM393716;C#CC(NCC=O)C(=N)N;HVSSSKOPGAXLPJ-UHFFFAOYSA-N;139.16;-1.29;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1_P5";;;;;;;-1.94;;-8.01;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM393717;MM393717;NCC1=CC2C(O)C2(O)C1;KVNANNDHCIAHLV-UHFFFAOYSA-N;141.17;-1;;;;;DOPC;MDCG;27;1;"MARTINI bead: SNd_SP1";;;;;;;0.04;;-4.58;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM393718;MM393718;C#CC(NNC=O)C(C)=O;QNCRLRBJHGVNAG-UHFFFAOYSA-N;140.14;-1.17;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_P4";;;;;;;-1.19;;-4.76;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM393719;MM393719;CCC1=CC2C(C)C2(F)C1;IZEWFEACMPEPBI-UHFFFAOYSA-N;140.2;2.7;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC2_SC5";;;;;;;3.6;;0.34;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM393720;MM393720;C#CC(OCC=O)C(C)=O;WNOJNHABYBFLOF-UHFFFAOYSA-N;140.14;-0.21;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_P1";;;;;;;0.04;;-2.54;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM393721;MM393721;CC1C2C=C(CN)CC12F;RFXOFSCBXJFJMQ-UHFFFAOYSA-N;141.19;1.25;;;;;DOPC;MDCG;27;1;"MARTINI bead: SNd_SNa";;;;;;;0.87;;-4.13;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM393722;MM393722;C#CC(OCC=O)C(=N)N;VGFZSLOXPWXEPB-UHFFFAOYSA-N;140.14;-0.86;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1_P2";;;;;;;-1.06;;-6.08;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM393723;MM393723;CC1C2C=C(CO)CC12F;HJMVRBLOSNHBSB-UHFFFAOYSA-N;142.17;1.28;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNda_SNa";;;;;;;0.87;;-1.99;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM393724;MM393724;C#CC(OCC=O)C(N)=O;XWSDRWRDNMSPPT-UHFFFAOYSA-N;141.13;-1.31;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_P2";;;;;;;-1.34;;-4.31;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM393725;MM393725;CC1C2C=C(CF)CC12F;YOXGHVHZZUXNCF-UHFFFAOYSA-N;144.16;2.26;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC5_SNa";;;;;;;1.64;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM393726;MM393726;C#CC(OCC#N)C(=C)F;PYMLDUVDQZSTSG-UHFFFAOYSA-N;139.13;1.01;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_Na";;;;;;;1.64;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM393727;MM393727;NC1C2C=C(CO)CC12F;MLIXQYLNAVTRGO-UHFFFAOYSA-N;143.16;-0.03;;;;;DOPC;MDCG;27;1;"MARTINI bead: SNda_SP1";;;;;;;0.04;;-3.99;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM393728;MM393728;C#CC(ONC=N)C(=C)C;DOCSUXOMFHSVOM-UHFFFAOYSA-N;138.17;0.69;;;;;DOPC;MDCG;27;1;"MARTINI bead: C4_P4";;;;;;;0.15;;-3.76;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM393729;MM393729;CCC1=CC2C(O)C2(F)C1;BUJDJXGGTVMGTK-UHFFFAOYSA-N;142.17;1.43;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC2_SNda";;;;;;;2.83;;0.57;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM393730;MM393730;C#CC(ONC=O)C(=C)C;PBUZBSOITLNXTK-UHFFFAOYSA-N;139.15;0.24;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4_P4";;;;;;;0.15;;-2.18;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM393731;MM393731;COC1=CC2C(C)C2(C)C1;STEPJXFLYVCRDJ-UHFFFAOYSA-N;138.21;2.19;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC5_SC5";;;;;;;2.41;;0.64;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM393732;MM393732;C#CCCC(C#C)C(=C)C;DUBGIDXIYMQGMW-UHFFFAOYSA-N;132.21;2.23;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4_C5";;;;;;;2.97;;0.45;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM393733;MM393733;COC1=CC2C(N)C2(C)C1;HEMNFLGLXUTYQH-UHFFFAOYSA-N;139.2;0.88;;;;;DOPC;MDCG;27;1;"MARTINI bead: SC5_SNd";;;;;;;1.64;;-2.18;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM393734;MM393734;C#CCCC(C#C)C(C)=O;QQOISYWFBBMUGR-UHFFFAOYSA-N;134.18;1.24;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_C5";;;;;;;1.64;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM393735;MM393735;COC1=CC2C(O)C2(C)C1;LBCPWCHWIDNNJL-UHFFFAOYSA-N;140.18;0.92;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC5_SNda";;;;;;;1.64;;0.05;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM393736;MM393736;C#CCNC(C#C)C(=N)N;OPBYHUVAXUWTBZ-UHFFFAOYSA-N;135.17;-0.85;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1_P2";;;;;;;-1.06;;-6.05;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM393737;MM393737;COC1=CC2C(C)C2(N)C1;MRJXFHNOGAZSGJ-UHFFFAOYSA-N;139.2;0.88;;;;;DOPC;MDCG;27;1;"MARTINI bead: SC5_SNd";;;;;;;1.64;;-2.68;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM393738;MM393738;CC(C)C(CN)CC=CF;PKVLNANYBYRALF-UHFFFAOYSA-N;145.22;2.09;;;;;DOPC;MDCG;27;1;"MARTINI bead: C5_C5";;;;;;;2.41;;-0.48;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM393739;MM393739;COC1=CC2C(C)C2(O)C1;IZPXQIUVGVYACT-UHFFFAOYSA-N;140.18;0.92;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC5_SNda";;;;;;;1.64;;0.05;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM393740;MM393740;CC(C)C(CF)CC=CF;HUDATFDJWNRUBO-UHFFFAOYSA-N;148.2;3.1;;;;;DOPC;MDCG;27;0;"MARTINI bead: C2_C4";;;;;;;4.16;;0.44;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM393741;MM393741;COC1=CC2C(C)C2(F)C1;JYVTZAYZXYUROY-UHFFFAOYSA-N;142.17;1.89;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC5_SC5";;;;;;;2.41;;0.64;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM393742;MM393742;CCC(CC=CF)C(C)N;ZOLJGHZHXCXIAV-UHFFFAOYSA-N;145.22;2.23;;;;;DOPC;MDCG;27;1;"MARTINI bead: C5_C4";;;;;;;2.97;;-0.28;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM393743;MM393743;CCC1=NC2(C)C(C)C2N1;WCUDNSXXVQHVLS-UHFFFAOYSA-N;138.21;1.18;;;;;DOPC;MDCG;27;1;"MARTINI bead: SNd_SP1";;;;;;;0.04;;-4.81;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM393744;MM393744;CC=CCC(CN)C(C)N;LZWNPCMPBLSROF-UHFFFAOYSA-N;142.25;0.87;;;;;DOPC;MDCG;27;1;"MARTINI bead: C4_P2";;;;;;;1.09;;-3.21;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM393745;MM393745;CC1C2N=C(CF)NC12C;WRAVFNTXCKVETC-UHFFFAOYSA-N;142.18;0.73;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNda_SC5";;;;;;;1.64;;0.05;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM393746;MM393746;CC(N)C(CN)CC=CF;LBFZLTRBHGDYIW-UHFFFAOYSA-N;146.21;0.78;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1_Nda";;;;;;;0.04;;-5.59;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM393747;MM393747;CNC1=NC2C(C)C2(C)N1;JFXHNBORAYCDFA-UHFFFAOYSA-N;139.2;-0.06;;;;;DOPC;MDCG;27;1;"MARTINI bead: SP1_SP1";;;;;;;-0.79;;-7.17;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM393748;MM393748;CC(N)C(CF)CC=CF;BNOQVXCAORGNNQ-UHFFFAOYSA-N;149.18;1.79;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1_C4";;;;;;;1.37;;-2.89;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM393749;MM393749;CC1C2N=C(NO)NC12C;KILGHJCRBOWFDD-UHFFFAOYSA-N;141.17;-0.3;;;;;DOPC;MDCG;27;1;"MARTINI bead: SP2_SC5";;;;;;;0.54;;-2.96;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM393750;MM393750;CC=CCC(CF)C(C)O;MCTZEVQIEFERJT-UHFFFAOYSA-N;146.21;1.92;;;;;DOPC;MDCG;27;0;"MARTINI bead: C2_Nda";;;;;;;2.83;;0.57;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM393751;MM393751;CC12NC(NO)=NC1C2N;HYYRFVVOEIKNLT-UHFFFAOYSA-N;142.16;-1.61;;;;;DOPC;MDCG;27;1;"MARTINI bead: SP2_SP2";;;;;;;-1.34;;-5.84;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM393752;MM393752;CC(O)C(CF)CC=CF;XPHZLXHNUJREBX-UHFFFAOYSA-N;150.17;1.83;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_C4";;;;;;;1.37;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM393753;MM393753;CC12NC(NO)=NC1C2O;ODAZLCTWOHECTF-UHFFFAOYSA-N;143.15;-1.57;;;;;DOPC;MDCG;27;1;"MARTINI bead: SP2_SP2";;;;;;;-1.34;;-5.47;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM393754;MM393754;CC=CCC(CN)C(C)F;OSALXJMAXHTEGY-UHFFFAOYSA-N;145.22;1.89;;;;;DOPC;MDCG;27;1;"MARTINI bead: C2_Nda";;;;;;;2.83;;-0.75;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM393755;MM393755;CCC1=CC2C(C)C2(C)O1;BRLPRFNGFRWBMF-UHFFFAOYSA-N;138.21;2.34;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC5_SC5";;;;;;;2.41;;0.64;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM393756;MM393756;CC(F)C(CN)CC=CF;HSFOXJNIDUVLAZ-UHFFFAOYSA-N;149.18;1.79;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nda_C5";;;;;;;1.64;;-2.6;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM393757;MM393757;CC1C2C=C(CF)OC12C;GORFMKBXDQUCKR-UHFFFAOYSA-N;142.17;1.89;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNa_SC5";;;;;;;1.64;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM393758;MM393758;CC(F)C(CF)CC=CF;YRIKFVMMTTZPOH-UHFFFAOYSA-N;152.16;2.8;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_C4";;;;;;;2.97;;0.45;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM393759;MM393759;CCC1=CC2C(N)C2(C)O1;MIUIHQVAUVRTAN-UHFFFAOYSA-N;139.2;1.03;;;;;DOPC;MDCG;27;1;"MARTINI bead: SC5_SNd";;;;;;;1.64;;-1.75;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM393760;MM393760;NCC(CC=CF)C(F)F;AUSDJXMGMZOEBE-UHFFFAOYSA-N;153.15;1.7;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1_C4";;;;;;;1.37;;-2.57;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM393761;MM393761;CCC1=CC2C(O)C2(C)O1;WQOYWOGSZLQZHG-UHFFFAOYSA-N;140.18;1.06;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC5_SNda";;;;;;;1.64;;0.05;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM393762;MM393762;CC(C)C(CO)CC=NO;OVLYPYGGYYZDJV-UHFFFAOYSA-N;145.2;1.1;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_P1";;;;;;;0.81;;-0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM393763;MM393763;CC12OC(CF)=CC1C2O;VCXNYALPDYQFCI-UHFFFAOYSA-N;144.15;0.62;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNda_SNa";;;;;;;0.87;;-1.99;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM393764;MM393764;CC(C)C(CF)CC=NO;KYFMEPMQAFYADF-UHFFFAOYSA-N;147.19;2.08;;;;;DOPC;MDCG;27;0;"MARTINI bead: C2_P1";;;;;;;2;;0.3;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM393765;MM393765;CC(=NN)n1ncc(=O)o1;NIQSRRUSBJUACE-UHFFFAOYSA-N;142.12;-1.02;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP2_SP3";;;;;;;-2.2;;-5.19;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM393766;MM393766;CCC(CC=NO)C(C)N;XPLYJOVZMIXALO-UHFFFAOYSA-N;144.22;1.21;;;;;DOPC;MDCG;27;1;"MARTINI bead: C5_P1";;;;;;;0.81;;-3.3;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM393767;MM393767;Cc1cc(=NN)n(N)nn1;MUWXFGQEUQPVGP-UHFFFAOYSA-N;140.15;-1.93;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP1_SP2";;;;;;;-1.06;;-3.82;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM393768;MM393768;CCC(CC=NO)C(C)O;CXLOIEWVWCRMDD-UHFFFAOYSA-N;145.2;1.24;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_P1";;;;;;;0.81;;-0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM393769;MM393769;NN=c1cc(F)nnn1N;DBUCGEVJLWLHAE-UHFFFAOYSA-N;144.11;-2.09;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP1_SP2";;;;;;;-1.06;;-3.82;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM393770;MM393770;CC(F)C(CF)CC=NN;XNNUOVMTALJGHH-UHFFFAOYSA-N;150.17;1.26;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_Nd";;;;;;;1.64;;0.02;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM393771;MM393771;C=NN(C=N)C(CF)=NN;BADFKMMFLXDZHV-UHFFFAOYSA-N;145.14;-0.25;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_P2";;;;;;;-0.24;;-3.24;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM393772;MM393772;CC(F)C(CF)CC=NO;XXVRSNIOJFUHNF-UHFFFAOYSA-N;151.16;1.78;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_P1";;;;;;;0.81;;-0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM393773;MM393773;C=CC=NNC(C=C)=NN;UCUMZVRMGGLXPE-UHFFFAOYSA-N;138.17;0.21;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nd_Nd";;;;;;;0.87;;-2.11;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM393774;MM393774;CC(C=O)C=NN(C)C=O;QLUYUVVXATUDDP-UHFFFAOYSA-N;142.16;-0.1;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_P2";;;;;;;-0.24;;-3.24;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM393775;MM393775;CCC1=NN2C(C)C2(C)C1;SXPNGEFMHJJUMA-UHFFFAOYSA-N;138.21;1.62;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP1_SN0";;;;;;;0.34;;-1.53;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM393776;MM393776;CNC(CC=CF)C(C)C;GQKNTZICLCSRHZ-UHFFFAOYSA-N;145.22;2.1;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_C4";;;;;;;2.2;;-2.8;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM393777;MM393777;C=CC(C=O)C=NNCC;NUUHPZJGWLTWOY-UHFFFAOYSA-N;140.19;0.58;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nd_Na";;;;;;;0.87;;-1.88;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM393778;MM393778;CNC(CC=CF)C(C)O;LWIRPMASQBUDMJ-UHFFFAOYSA-N;147.19;0.83;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1_C5";;;;;;;0.81;;-3.14;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM393779;MM393779;CC1N2N=C(CF)CC12C;RRGZODSKVXKSEU-UHFFFAOYSA-N;142.18;1.18;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP1_SP1";;;;;;;-0.79;;-3.13;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM393780;MM393780;CNC(CC=CF)C(C)F;PCYLKLLYYXTQQM-UHFFFAOYSA-N;149.18;1.81;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nda_C5";;;;;;;1.64;;-1.59;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM393781;MM393781;COC1=NN2C(C)C2(C)C1;PGNXGZKUTZOWTG-UHFFFAOYSA-N;140.19;0.81;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP1_SN0";;;;;;;0.34;;-1.53;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM393782;MM393782;CNC(CC=NN)C(C)C;BIAJNWFIMAHUNC-UHFFFAOYSA-N;143.23;0.57;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_Nd";;;;;;;0.87;;-5.03;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM393783;MM393783;C=CC1=CC2C(C)C2(C)C1;RUNXKNNWQAFITA-UHFFFAOYSA-N;134.22;2.77;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC3_SC5";;;;;;;3.34;;0.48;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM393784;MM393784;CNC(CC=NO)C(C)C;BHVSBQNOSGCGRS-UHFFFAOYSA-N;144.22;1.08;;;;;DOPC;MDCG;27;1;"MARTINI bead: C5_P1";;;;;;;0.81;;-4.69;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM393785;MM393785;CC1C2C=C(C=O)CC12C;ONVKJICCJJDEOG-UHFFFAOYSA-N;136.19;1.79;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNa_SC5";;;;;;;1.64;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM393786;MM393786;CNC(CC=NN)C(C)F;ACKYPCMXOVPAHK-UHFFFAOYSA-N;147.2;0.27;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nda_P1";;;;;;;0.04;;-3.96;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM393787;MM393787;CC1C2C=C(C#N)CC12C;VKOWMYPQKYZBDE-UHFFFAOYSA-N;133.19;2.11;;;;;DOPC;MDCG;27;0;"MARTINI bead: SN0_SC5";;;;;;;1.94;;0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM393788;MM393788;CNC(CC=NO)C(C)F;USEDSDKDOZTQQE-UHFFFAOYSA-N;148.18;0.78;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nda_P1";;;;;;;0.04;;-3.83;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM393789;MM393789;CC(C)C(CO)N=CNN;YXYHIHSOVQKMKZ-UHFFFAOYSA-N;145.21;-0.51;;;;;DOPC;MDCG;27;1;"MARTINI bead: C5_P4";;;;;;;-0.41;;-3.93;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM393790;MM393790;C=CC1=CC2C(N)C2(C)C1;OZKJZROQBWNLMR-UHFFFAOYSA-N;135.21;1.47;;;;;DOPC;MDCG;27;1;"MARTINI bead: SNd_SC3";;;;;;;2.57;;-1.02;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM393791;MM393791;CCC(N=CNN)C(C)O;UKWQMLDSZDAKCE-UHFFFAOYSA-N;145.21;-0.36;;;;;DOPC;MDCG;27;1;"MARTINI bead: C5_P4";;;;;;;-0.41;;-3.93;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM393792;MM393792;C=CC1=CC2C(C)C2(N)C1;JRFLJFNMNKCCIA-UHFFFAOYSA-N;135.21;1.47;;;;;DOPC;MDCG;27;1;"MARTINI bead: SC3_SNd";;;;;;;2.57;;-1.55;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM393793;MM393793;CN=CNC(CF)C(C)O;LMUIVTKUKPNBNJ-UHFFFAOYSA-N;148.18;-0.05;;;;;DOPC;MDCG;27;1;"MARTINI bead: P2_Nda";;;;;;;-0.24;;-5.56;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM393794;MM393794;C=CC1=CC2C(F)C2(N)C1;SVJXIYZEPBOKLB-UHFFFAOYSA-N;139.17;1.17;;;;;DOPC;MDCG;27;1;"MARTINI bead: SNda_SC3";;;;;;;2.57;;-0.42;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM393795;MM393795;CN=CNC(CO)C(F)F;QOGZGQVDRNZULW-UHFFFAOYSA-N;152.14;-0.14;;;;;DOPC;MDCG;27;1;"MARTINI bead: N0_P2";;;;;;;0.06;;-3.73;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM393796;MM393796;NN=C(CF)N(N)C=CF;HFISRMJLTLOFKW-UHFFFAOYSA-N;150.13;-0.16;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_C5";;;;;;;0.54;;-1.09;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM393797;MM393797;C=CC(C)=CCC(O)CC;VPHBJCJPFJAQON-UHFFFAOYSA-N;140.23;2.28;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda_C3";;;;;;;2.57;;0.44;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM393798;MM393798;CC1C2C=C(C=O)CC12O;YHPCVDIJJHJANU-UHFFFAOYSA-N;138.17;0.51;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNa_SNda";;;;;;;0.87;;-1.99;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM393799;MM393799;CC=NNC(CN)C(C)F;QYYPNYPKPFEMEF-UHFFFAOYSA-N;147.2;0.27;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1_C5";;;;;;;0.81;;-2.04;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM393800;MM393800;CC1C2C=C(C#N)CC12O;QROMJNXCDNFHLD-UHFFFAOYSA-N;135.17;0.84;;;;;DOPC;MDCG;27;0;"MARTINI bead: SN0_SNda";;;;;;;1.17;;-1.13;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM393801;MM393801;CCC(O)CC=C(C)C=O;WMZBUXGAZYCMAJ-UHFFFAOYSA-N;142.2;1.29;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda_Na";;;;;;;0.87;;-1.99;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM393802;MM393802;C=CC1=CC2C(N)C2(O)C1;VRCCFKVMQNTLLP-UHFFFAOYSA-N;137.18;0.19;;;;;DOPC;MDCG;27;1;"MARTINI bead: SC3_SP2";;;;;;;1.46;;-1.98;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM393803;MM393803;CC=COC(CO)C(C)N;NDNRQTMTGOKMGF-UHFFFAOYSA-N;145.2;0.24;;;;;DOPC;MDCG;27;1;"MARTINI bead: C4_P3";;;;;;;0.23;;-2.95;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM393804;MM393804;C=CC1=CC2C(O)C2(O)C1;BAWVBOWRKIMYLY-UHFFFAOYSA-N;138.17;0.22;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC3_SP2";;;;;;;1.46;;-0.15;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM393805;MM393805;CC(O)C(CN)OC=NO;ITVDDAOCPGDSCZ-UHFFFAOYSA-N;148.16;-0.87;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1_P2";;;;;;;-1.06;;-5.39;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM393806;MM393806;C=CC1=CC2C(C)C2(F)C1;AYWWEWNCXKHYAU-UHFFFAOYSA-N;138.19;2.48;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC3_SNa";;;;;;;2.57;;0.45;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM393807;MM393807;C=CC(O)C1CC1(C)C=C;HWGSTRZYJHXTFW-UHFFFAOYSA-N;138.21;1.75;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC4_Nda";;;;;;;2.2;;0.49;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM393808;MM393808;CC1C2C=C(C=O)CC12F;VDGCHLZVTYBPHG-UHFFFAOYSA-N;140.16;1.49;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNa_SNa";;;;;;;0.87;;-2.22;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM393809;MM393809;CCC1(C)COC(=NN)N1;LECOJSLANIMFIT-UHFFFAOYSA-N;143.19;;;;;;DOPC;MDCG;27;0;"MARTINI bead: SN0_SP2";;;;;;;0.06;;-2.21;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM393810;MM393810;CC1C2C=C(C#N)CC12F;QZDHAAOYHVCHJL-UHFFFAOYSA-N;137.16;1.81;;;;;DOPC;MDCG;27;0;"MARTINI bead: SN0_SNa";;;;;;;1.17;;-1.18;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM393811;MM393811;CC(O)C(CF)OC=NO;HEAVZNGFCABQEP-UHFFFAOYSA-N;151.14;0.14;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_P2";;;;;;;-0.24;;-3.24;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM393812;MM393812;CN=CN(N)C(CF)=NN;ABGLZRUZZSGCQQ-UHFFFAOYSA-N;147.16;-0.94;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_Na";;;;;;;-0.24;;-3.24;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM393813;MM393813;CCC1(C)CNC(=NN)O1;UIHFOMHDHJTNNN-UHFFFAOYSA-N;143.19;;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP1_SP2";;;;;;;-1.06;;-3.82;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM393814;MM393814;C=CC1=CC2C(C)C2(C)O1;YPMXUZUQFJQHHE-UHFFFAOYSA-N;136.19;2.11;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNa_SC5";;;;;;;1.64;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM393815;MM393815;COC(OC=CF)C(C)N;GTLJVMFCTJYFCX-UHFFFAOYSA-N;149.17;0.76;;;;;DOPC;MDCG;27;1;"MARTINI bead: Na_P1";;;;;;;0.04;;-4.08;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM393816;MM393816;C=CC1=CC2C(F)C2(C)O1;STEUBUBBWJEASJ-UHFFFAOYSA-N;140.16;1.81;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC5_SNa";;;;;;;1.64;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM393817;MM393817;COC1(C)CNC(=NN)O1;QNAXQMBBUIFALQ-UHFFFAOYSA-N;145.16;-0.8;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP1_SP2";;;;;;;-1.06;;-3.82;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM393818;MM393818;CN1C2C=C(C=O)CC21C;OJJMNIFZFZLFNE-UHFFFAOYSA-N;137.18;0.59;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNa_SNd";;;;;;;0.87;;-1.88;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM393819;MM393819;COC(OC=NO)C(C)O;GLTOZGHFURDZQT-UHFFFAOYSA-N;149.15;-0.23;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_P1";;;;;;;-1.06;;-3.82;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM393820;MM393820;CN1C2C=C(C#N)CC21C;KOWVDTLXTMGHED-UHFFFAOYSA-N;134.18;0.91;;;;;DOPC;MDCG;27;0;"MARTINI bead: SN0_SNd";;;;;;;1.17;;-1.04;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM393821;MM393821;C=CC1(C)COC(=NN)N1;AQFHVLMPTNBWFI-UHFFFAOYSA-N;141.17;-0.22;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP1_SP2";;;;;;;-1.06;;-3.82;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM393822;MM393822;CC1N2C=C(C=O)CC12C;YQGVYAYOQDIRQD-UHFFFAOYSA-N;137.18;0.94;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP2_SP1";;;;;;;-1.06;;-3.82;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM393823;MM393823;COC(OC=NO)C(C)F;QXARYKFTJBJRTP-UHFFFAOYSA-N;151.14;0.75;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_C5";;;;;;;0.54;;-1.09;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM393824;MM393824;CC1N2C=C(C#N)CC12C;XTSFTTPNVDWKHB-UHFFFAOYSA-N;134.18;1.26;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP1_SP1";;;;;;;-0.79;;-3.13;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM393825;MM393825;CC=NOC(CF)C(C)C;FIOIRSUGUSDUFH-UHFFFAOYSA-N;147.19;2;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_C3";;;;;;;2.57;;0.45;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM393826;MM393826;C=CC1=NN2C(C)C2(C)C1;UHWIFAOYKCSIPJ-UHFFFAOYSA-N;136.2;1.39;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP1_SN0";;;;;;;0.34;;-1.53;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM393827;MM393827;CC=NOC(CN)C(C)F;CNLSTANWSHYWFY-UHFFFAOYSA-N;148.18;0.69;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1_C5";;;;;;;0.81;;-1.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM393828;MM393828;CC1N2N=C(C=O)CC12C;TZJHXDJRUKBKSD-UHFFFAOYSA-N;138.17;0.41;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP1_SN0";;;;;;;0.34;;-1.53;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM393829;MM393829;CC=NOC(OC)C(C)F;MGDIAKXOQYBUGF-UHFFFAOYSA-N;149.17;1.34;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_C5";;;;;;;1.64;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM393830;MM393830;CC1N2N=C(C#N)CC12C;YTHUBWLSNPAUAU-UHFFFAOYSA-N;135.17;0.73;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP1_SP1";;;;;;;-0.79;;-3.13;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM393831;MM393831;CC=NOC(OC)C(F)F;CJMXQTVTAMLRPY-UHFFFAOYSA-N;153.13;1.25;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_N0";;;;;;;1.17;;-1.18;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM393832;MM393832;C#CC1=CC2C(C)C2(C)C1;RXDOGMADYBLFHQ-UHFFFAOYSA-N;132.21;2.22;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC5_SC5";;;;;;;2.41;;0.64;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM393833;MM393833;CC=CCC(CO)N(C)C;MACWUHIVOIQGIZ-UHFFFAOYSA-N;143.23;0.88;;;;;DOPC;MDCG;27;1;"MARTINI bead: C2_P1";;;;;;;2;;-0.7;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM393834;MM393834;C#CC1=CC2C(N)C2(C)C1;HAEQNQKMRPZVBI-UHFFFAOYSA-N;133.19;0.91;;;;;DOPC;MDCG;27;1;"MARTINI bead: SNd_SC5";;;;;;;1.64;;-2.19;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM393835;MM393835;CN(C)C(CO)CC=NN;OBLOKDFCIXRBBX-UHFFFAOYSA-N;145.21;-0.76;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1_P1";;;;;;;-0.79;;-4.62;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM393836;MM393836;C#CC1=CC2C(F)C2(C)C1;AOCCOZXGTJQLRY-UHFFFAOYSA-N;136.17;1.92;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC5_SC5";;;;;;;2.41;;0.64;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM393837;MM393837;CCN(N=CNC)C(C)C;KQEJNFIFTSZHBP-UHFFFAOYSA-N;143.23;0.88;;;;;DOPC;MDCG;27;1;"MARTINI bead: N0_P1";;;;;;;0.34;;-3.09;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM393838;MM393838;C#CC1=CC2C(N)C2(N)C1;GMRUZFOJNGUSGA-UHFFFAOYSA-N;134.18;-0.4;;;;;DOPC;MDCG;27;1;"MARTINI bead: SC5_SP3";;;;;;;-0.33;;-4.17;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM393839;MM393839;CC=CCC(C=O)C(C)C;BVBBBQQYBQQSLF-UHFFFAOYSA-N;140.23;2.42;;;;;DOPC;MDCG;27;0;"MARTINI bead: C2_C5";;;;;;;3.6;;0.34;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM393840;MM393840;Cn1cc(N)c(=NN)n1N;JQUQMAWBTZLRHD-UHFFFAOYSA-N;142.17;-2.1;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP1_SP2";;;;;;;-1.06;;-3.82;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM393841;MM393841;CC=CCC(C#N)C(C)C;JYXPUSJQTKEQPC-UHFFFAOYSA-N;137.23;2.75;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_C3";;;;;;;3.34;;0.48;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM393842;MM393842;C#CC1=CC2C(N)C2(O)C1;HZFQXVLHHJHYNH-UHFFFAOYSA-N;135.17;-0.36;;;;;DOPC;MDCG;27;1;"MARTINI bead: SC5_SP2";;;;;;;0.54;;-3.02;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM393843;MM393843;C=CC(CC=CC)C(C)N;CPQBVRULMWTROH-UHFFFAOYSA-N;139.24;2.1;;;;;DOPC;MDCG;27;1;"MARTINI bead: C2_Nd";;;;;;;2.83;;-0.94;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM393844;MM393844;C#CC1=CC2C(C)C2(F)C1;ZZEDGCXCVGBYTR-UHFFFAOYSA-N;136.17;1.92;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC5_SNa";;;;;;;1.64;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM393845;MM393845;C=CC(CC=CF)C(C)N;RXJVEYJDEDDUCF-UHFFFAOYSA-N;143.21;2.01;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_C4";;;;;;;2.2;;-2.42;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM393846;MM393846;C#CC1=NN2C(C)C2(C)C1;VDBOKQXZERZIJZ-UHFFFAOYSA-N;134.18;0.84;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP1_SP1";;;;;;;-0.79;;-3.13;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM393847;MM393847;C=CC1(C)CNC(=NN)O1;KYYIWDKCQNHMPK-UHFFFAOYSA-N;141.17;-0.22;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP1_SP2";;;;;;;-1.06;;-3.82;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM393848;MM393848;CN1CCC2(F)C(N)C2C1;FVMSGOZJHJHMMO-UHFFFAOYSA-N;144.19;-0.01;;;;;DOPC;MDCG;27;1;"MARTINI bead: SNd_SP2";;;;;;;-0.24;;-5.68;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM393849;MM393849;C=CC(CC=CF)C(C)F;YHGXPSSHJNVNFW-UHFFFAOYSA-N;146.18;3.02;;;;;DOPC;MDCG;27;0;"MARTINI bead: C3_C4";;;;;;;3.9;;0.47;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM393850;MM393850;NC1C2CC(F)C=CC12N;KSKHMBPBQJWQLG-UHFFFAOYSA-N;142.18;-0.06;;;;;DOPC;MDCG;27;1;"MARTINI bead: SC4_SP2";;;;;;;1.09;;-2.31;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM393851;MM393851;CC(F)C(C=O)CC=CF;WDMYLEASNPMTFE-UHFFFAOYSA-N;148.15;2.03;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_C4";;;;;;;2.2;;0.34;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM393852;MM393852;CC1C2CC(N)C=CC12O;CPFCRXGCGVMKBQ-UHFFFAOYSA-N;139.2;0.27;;;;;DOPC;MDCG;27;1;"MARTINI bead: SNd_SNda";;;;;;;0.87;;-4.08;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM393853;MM393853;C=CC(CC=NN)C(C)C;NFOGUNYEGHHLMV-UHFFFAOYSA-N;140.23;1.78;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1_Nd";;;;;;;2.91;;0.64;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM393854;MM393854;CC1C2CC(O)C=CC12O;PQAHEJKMHSADKG-UHFFFAOYSA-N;140.18;0.3;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNda_SNda";;;;;;;0.87;;-2.07;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM393855;MM393855;CC(C)C(C=O)CC=NO;NLKSVQDYLDJGLA-UHFFFAOYSA-N;143.19;1.31;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_P1";;;;;;;0.81;;-0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM393856;MM393856;CC1C2CC(F)C=CC12O;XGWUYXADEUFWCG-UHFFFAOYSA-N;142.17;1.28;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC4_SNda";;;;;;;2.2;;0.49;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM393857;MM393857;CC(C)C(C#N)CC=NO;JJVATSIULQXFSB-UHFFFAOYSA-N;140.19;1.63;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_P1";;;;;;;0.81;;-0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM393858;MM393858;CC1C=CC2(O)C(N)C2C1;PRJAIENTVQKKTD-UHFFFAOYSA-N;139.2;0.27;;;;;DOPC;MDCG;27;1;"MARTINI bead: SC3_SP1";;;;;;;1.74;;-1.29;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM393859;MM393859;C=CC(CC=NN)C(C)F;BJFYBFPRAMTGAK-UHFFFAOYSA-N;144.19;1.48;;;;;DOPC;MDCG;27;0;"MARTINI bead: C3_Nd";;;;;;;2.57;;0.53;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM393860;MM393860;CC1C=CC2(F)C(C)C2C1;NLUKRXUMGTYFKC-UHFFFAOYSA-N;140.2;2.56;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC3_SC3";;;;;;;4.27;;0.2;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM393861;MM393861;C=CC(NC=NC)C(C)C;VREVBUQWPUMHDW-UHFFFAOYSA-N;140.23;1.44;;;;;DOPC;MDCG;27;1;"MARTINI bead: P2_C1";;;;;;;1.8;;-1.87;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM393862;MM393862;CC1C2CC(N)C=CC12F;UNKINUJROYYWRH-UHFFFAOYSA-N;141.19;1.25;;;;;DOPC;MDCG;27;1;"MARTINI bead: SNd_SC5";;;;;;;1.64;;-2.36;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM393863;MM393863;C=CC(N=CNN)C(C)C;AGOPIGCUQPDDLH-UHFFFAOYSA-N;141.22;0.69;;;;;DOPC;MDCG;27;1;"MARTINI bead: C1_P4";;;;;;;0.85;;-1.81;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM393864;MM393864;CN=CNC(C=O)C(C)C;IGXKXPBQWKTJRM-UHFFFAOYSA-N;142.2;0.46;;;;;DOPC;MDCG;27;1;"MARTINI bead: N0_P1";;;;;;;0.34;;-3.65;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM393865;MM393865;CC1C2CC(O)C=CC12F;UUQKZFPBFNNCOS-UHFFFAOYSA-N;142.17;1.28;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNda_SC5";;;;;;;1.64;;0.05;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM393866;MM393866;C=CC(NC=NC)C(C)N;XYCWVMWJYJOGFO-UHFFFAOYSA-N;141.22;0.14;;;;;DOPC;MDCG;27;1;"MARTINI bead: P2_Nd";;;;;;;-0.24;;-5.87;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM393867;MM393867;CN1CC2C(N)C2(N)C=N1;JMTOHWHCGFVBCU-UHFFFAOYSA-N;140.19;-1.43;;;;;DOPC;MDCG;27;1;"MARTINI bead: SN0_SP2";;;;;;;0.06;;-3.35;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM393868;MM393868;C#CC1(C)COC(=NN)N1;OVQDHIWIKRENIZ-UHFFFAOYSA-N;139.16;-0.77;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP1_SP2";;;;;;;-1.06;;-3.82;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM393869;MM393869;CCC(C)C1CC(C)C1N;MEPZBZJUORRMMM-UHFFFAOYSA-N;141.26;2.02;;;;;DOPC;MDCG;27;1;"MARTINI bead: SC1_SNd";;;;;;;2.91;;-0.65;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM393870;MM393870;CN=CNC(C=O)C(C)F;QSHLMRANKXIRCD-UHFFFAOYSA-N;146.17;0.16;;;;;DOPC;MDCG;27;1;"MARTINI bead: N0_P2";;;;;;;0.06;;-3.63;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM393871;MM393871;CNC(C)C1CC(N)C1F;SXPGLRWNRNZIFB-UHFFFAOYSA-N;146.21;0.28;;;;;DOPC;MDCG;27;1;"MARTINI bead: SNd_SNda";;;;;;;0.87;;-4.84;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM393872;MM393872;C#CC1(C)CNC(=NN)O1;XVWKYIOEBOIQLC-UHFFFAOYSA-N;139.16;-0.77;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP1_SP2";;;;;;;-1.06;;-3.82;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM393873;MM393873;CCC(C)C1CC(C)N1C;MHZMQNYHORUWMM-UHFFFAOYSA-N;141.26;2.13;;;;;DOPC;MDCG;27;1;"MARTINI bead: SC5_SNd";;;;;;;1.64;;-2.54;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM393874;MM393874;CNC(=NN)OC(=O)CF;IIGFTBBBAGIIDR-UHFFFAOYSA-N;149.13;-1.05;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_Na";;;;;;;-0.24;;-3.24;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM393875;MM393875;CC(CF)C1CC(C)N1C;NPFQWXHMRLGBPU-UHFFFAOYSA-N;145.22;1.68;;;;;DOPC;MDCG;27;1;"MARTINI bead: SNa_SNd";;;;;;;0.87;;-3.92;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM393876;MM393876;N#CC(OC=CF)C(F)F;ARZMVMPQISUSDG-UHFFFAOYSA-N;151.09;1.6;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_N0";;;;;;;1.17;;-1.18;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM393877;MM393877;CC1CC(C(N)CO)N1C;JNWIZYSRQRDUJG-UHFFFAOYSA-N;144.22;-0.6;;;;;DOPC;MDCG;27;1;"MARTINI bead: SP1_SP2";;;;;;;-1.06;;-5.56;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM393878;MM393878;C=CC(=C)NC(=NN)OC;BKAIATZQWQBALU-UHFFFAOYSA-N;141.17;0.15;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_C4";;;;;;;1.09;;-0.37;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM393879;MM393879;NN=c1c(N)cn(N)n1N;BZWDMLMFELPRCW-UHFFFAOYSA-N;143.15;-2.93;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP3_SP2";;;;;;;-2.2;;-5.19;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM393880;MM393880;CC(O)C(C#N)OC=NO;QAZUOIXZUHKZKP-UHFFFAOYSA-N;144.13;-0.31;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_P2";;;;;;;-1.06;;-3.82;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM393881;MM393881;C=NN(C)C1CC(C)C1F;ASUCZJQEDSQNJR-UHFFFAOYSA-N;144.19;1.28;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC5_SN0";;;;;;;1.94;;0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM393882;MM393882;CC=NOC(C#N)C(F)F;AFBXCKCLQXHJNX-UHFFFAOYSA-N;148.11;1.17;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_N0";;;;;;;1.17;;-1.18;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM393883;MM393883;C=CC(O)C1CC(C)N1C;UQPLTQDGFFPTQY-UHFFFAOYSA-N;141.21;0.63;;;;;DOPC;MDCG;27;1;"MARTINI bead: SNd_SP1";;;;;;;0.04;;-4.41;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM393884;MM393884;CC(C)N(C=N)CC=CF;MHZLUFGULXNOOB-UHFFFAOYSA-N;144.19;1.79;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_C5";;;;;;;1.64;;-3.47;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM393885;MM393885;C#CC(N)C1CC(C)N1C;HJPRMRNSHQUWEG-UHFFFAOYSA-N;138.21;0.04;;;;;DOPC;MDCG;27;1;"MARTINI bead: SNd_SP2";;;;;;;-0.24;;-4.45;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM393886;MM393886;CC=CCN(C=O)C(C)C;WHSUFNVVGQFDGQ-UHFFFAOYSA-N;141.21;1.43;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4_Nda";;;;;;;2.2;;0.49;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM393887;MM393887;C=C(CN)C1CC(N)C1N;WHXYVOCAVPXOOM-UHFFFAOYSA-N;141.22;-0.82;;;;;DOPC;MDCG;27;1;"MARTINI bead: SC5_SP2";;;;;;;0.54;;-3.66;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM393888;MM393888;CC(C)N(C=O)CC=CF;GORWCXNGXMANHT-UHFFFAOYSA-N;145.18;1.34;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda_C5";;;;;;;1.64;;0.05;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM393889;MM393889;C=C(CC)C1CC(C)C1F;PXFRDMHQIMOMEW-UHFFFAOYSA-N;142.22;2.95;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC1_SC5";;;;;;;3.68;;0.46;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM393890;MM393890;CC(C)N(C=N)CC=NN;UIPDWRNRTOMDJQ-UHFFFAOYSA-N;142.21;0.25;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_P1";;;;;;;0.04;;-5.81;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM393891;MM393891;Cc1nn(C)n(C)c1=NN;JTUIPNOKWKNYBO-UHFFFAOYSA-N;141.18;-1.16;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP2_SP2";;;;;;;-1.34;;-4.31;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM393892;MM393892;CC(C)N(C=N)CC=NO;MBJUZIZNCMEKGS-UHFFFAOYSA-N;143.19;0.76;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_P1";;;;;;;0.04;;-6.23;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM393893;MM393893;Cc1on(N)c(=NN)c1C;HKMRLKARSMGGJV-UHFFFAOYSA-N;142.16;-0.81;;;;;DOPC;MDCG;27;0;"MARTINI bead: SN0_SP2";;;;;;;0.06;;-2.21;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM393894;MM393894;C=NN(CC=CF)C(C)C;LSNVZCUGWPFGIP-UHFFFAOYSA-N;144.19;1.8;;;;;DOPC;MDCG;27;0;"MARTINI bead: N0_C5";;;;;;;1.94;;0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM393895;MM393895;CC1C(O)CC1C(=O)C=O;BVPDVUOBRWUVCN-UHFFFAOYSA-N;142.15;-0.23;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNda_SNa";;;;;;;0.87;;-1.99;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM393896;MM393896;C=NN(CC=NO)C(C)C;NBPODFGFQLLUFI-UHFFFAOYSA-N;143.19;0.77;;;;;DOPC;MDCG;27;0;"MARTINI bead: N0_P1";;;;;;;0.34;;-1.53;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM393897;MM393897;O=CC(=O)C1CC(F)C1O;BHVQUAAYLYHVMJ-UHFFFAOYSA-N;146.12;-0.53;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNda_SNa";;;;;;;0.87;;-1.99;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM393898;MM393898;CC=CCN(C=N)N(C)C;QZYZGAHJIPUHDX-UHFFFAOYSA-N;141.22;0.95;;;;;DOPC;MDCG;27;1;"MARTINI bead: C4_P3";;;;;;;0.23;;-3.02;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM393899;MM393899;C=CC(=C)C1CC(F)C1F;FNJSEMHWSUBZJI-UHFFFAOYSA-N;144.16;2.42;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNa_SC2";;;;;;;2.83;;0.35;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM393900;MM393900;CN(C)N(C=N)CC=CF;ZUKUORKPOISFTF-UHFFFAOYSA-N;145.18;0.86;;;;;DOPC;MDCG;27;1;"MARTINI bead: P3_C5";;;;;;;-0.33;;-3.94;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM393901;MM393901;Cc1on(C)c(=NN)c1N;ZXZHRBLUZHOXFH-UHFFFAOYSA-N;142.16;-0.72;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNd_SP1";;;;;;;0.04;;-2.63;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM393902;MM393902;CN(C)N(C=O)CC=NO;FXZGPJFENJDCTA-UHFFFAOYSA-N;145.16;-0.62;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_P1";;;;;;;-1.06;;-3.82;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM393903;MM393903;Cn1oc(F)c(N)c1=NN;MJKDAIFPIVFSAW-UHFFFAOYSA-N;146.13;-0.89;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNda_SP1";;;;;;;0.04;;-2.73;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM393904;MM393904;C#CC(CC=CC)C(C)C;CPYFADXKZVXPRB-UHFFFAOYSA-N;136.24;2.86;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1_C3";;;;;;;4.61;;0.31;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM393905;MM393905;C#CC(=C)C1CC(O)C1N;IRBXSRDRKRDFFJ-UHFFFAOYSA-N;137.18;-0.12;;;;;DOPC;MDCG;27;1;"MARTINI bead: SP1_SC4";;;;;;;1.37;;-2.15;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM393906;MM393906;C#CC(CC=CF)C(C)C;KBBUSLDIVYEGHZ-UHFFFAOYSA-N;140.2;2.77;;;;;DOPC;MDCG;27;0;"MARTINI bead: C3_C4";;;;;;;3.9;;0.47;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM393907;MM393907;C#CC(=N)N1CC(O)C1C;XJXOOJFWKBDSAC-UHFFFAOYSA-N;138.17;-0.34;;;;;DOPC;MDCG;27;1;"MARTINI bead: SP2_SNd";;;;;;;-0.24;;-4.43;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM393908;MM393908;C#CC(CC=CF)C(C)F;OCIQFXUWVPBLCA-UHFFFAOYSA-N;144.16;2.47;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_C4";;;;;;;2.97;;0.45;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM393909;MM393909;CCC(C)C1CC(C)C1=O;VFXLABVOJVNNJT-UHFFFAOYSA-N;140.23;2.26;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC1_SNa";;;;;;;2.91;;0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM393910;MM393910;C#CC(CC=NN)C(C)C;AWPWBQPBLWXTQW-UHFFFAOYSA-N;138.21;1.23;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1_P1";;;;;;;2.08;;0.48;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM393911;MM393911;CC1CC(N(C)C=N)C1=O;NNHHVZJTPXUUMY-UHFFFAOYSA-N;140.19;0.5;;;;;DOPC;MDCG;27;1;"MARTINI bead: SNa_SNd";;;;;;;0.87;;-4.73;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM393912;MM393912;C#CC(CC=NO)C(C)C;MNFCYVZFLORQFJ-UHFFFAOYSA-N;139.2;1.74;;;;;DOPC;MDCG;27;0;"MARTINI bead: C3_P1";;;;;;;1.74;;0.29;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM393913;MM393913;C=C(CC)C1CC(C)C1=O;HOFGORDDLIVMIM-UHFFFAOYSA-N;138.21;2.18;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC1_SNa";;;;;;;2.91;;0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM393914;MM393914;C#CC(CC=NO)C(C)N;SEHLFFKNLAILLE-UHFFFAOYSA-N;140.19;0.43;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_P1";;;;;;;0.04;;-6.19;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM393915;MM393915;CC(=CF)C1CC(N)C1C;CDQGVOVKVWXWMJ-UHFFFAOYSA-N;143.21;1.84;;;;;DOPC;MDCG;27;1;"MARTINI bead: SNd_SC4";;;;;;;2.2;;-2.25;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM393916;MM393916;COC(=NN)NC=C(C)C;NFJHTZPUNJYYBS-UHFFFAOYSA-N;143.19;0.38;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_C4";;;;;;;1.09;;-0.37;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM393917;MM393917;CCc1cc(=NN)n(N)o1;FTGNIXSXARWHAU-UHFFFAOYSA-N;142.16;-0.87;;;;;DOPC;MDCG;27;0;"MARTINI bead: SN0_SP2";;;;;;;0.06;;-2.21;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM393918;MM393918;C#CC(NC=NO)C(F)F;IYJJQXYETPBJML-UHFFFAOYSA-N;148.11;0.26;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_N0";;;;;;;0.06;;-2.21;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM393919;MM393919;NN=c1cc(CF)on1N;INRJSQCHVYNDMM-UHFFFAOYSA-N;146.13;-0.96;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNa_SP2";;;;;;;-0.24;;-3.24;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM393920;MM393920;C#CC(NN=CC)C(C)N;CLPYPHOIRSTQCD-UHFFFAOYSA-N;139.2;-0.07;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_P1";;;;;;;0.04;;-4.14;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM393921;MM393921;CC(=NO)C1CC(O)C1C;JYJRHVOTUGTLNJ-UHFFFAOYSA-N;143.19;0.85;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNda_SNda";;;;;;;0.87;;-2.07;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM393922;MM393922;C#CC(OC=CC)C(C)N;OSQHRWIOWAOAAO-UHFFFAOYSA-N;139.2;0.89;;;;;DOPC;MDCG;27;1;"MARTINI bead: C5_P1";;;;;;;0.81;;-2.39;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM393923;MM393923;CCC1CC1C(N)C(C)C;NFJFSBUGMNXDLD-UHFFFAOYSA-N;141.26;2.02;;;;;DOPC;MDCG;27;1;"MARTINI bead: SC3_Nd";;;;;;;2.57;;-1.84;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM393924;MM393924;C#CC(OC=CC)C(C)O;XSWUNYQZYBHBNV-UHFFFAOYSA-N;140.18;0.92;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_P1";;;;;;;0.81;;-0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM393925;MM393925;CC(C)C(N)C1CC1CO;RJDNTGSCMVMAPF-UHFFFAOYSA-N;143.23;0.6;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_SNda";;;;;;;0.87;;-4.76;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM393926;MM393926;C#CC(ON=CC)C(C)C;VTJSATCNPKBVJV-UHFFFAOYSA-N;139.2;1.67;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_C3";;;;;;;3.34;;0.48;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM393927;MM393927;CC(N)C(N)C1CC1CN;MEZVVVIJOCNHQT-UHFFFAOYSA-N;143.23;-0.74;;;;;DOPC;MDCG;27;1;"MARTINI bead: P3_SNd";;;;;;;-1.1;;-6.87;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM393928;MM393928;COC(=NN)NC=C(C)F;CKMIZYXTFWAIEV-UHFFFAOYSA-N;147.15;0.28;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_C5";;;;;;;0.54;;-1.09;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM393929;MM393929;CNC1CC1C(C)C(C)C;UWONOHCUUCRLHZ-UHFFFAOYSA-N;141.26;1.89;;;;;DOPC;MDCG;27;1;"MARTINI bead: SNd_C1";;;;;;;2.91;;-0.54;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM393930;MM393930;C#CC(ON=CC)C(F)F;OGLXJWVFSBAUMY-UHFFFAOYSA-N;147.12;1.28;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_N0";;;;;;;1.94;;0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM393931;MM393931;CNC1CC1C(N)C(C)C;XYVNSFKBKMJAIQ-UHFFFAOYSA-N;142.25;0.58;;;;;DOPC;MDCG;27;1;"MARTINI bead: SNd_Nd";;;;;;;0.87;;-5.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM393932;MM393932;C=C(C)C(CN)CC=CF;NNBKSHBKOYKUJX-UHFFFAOYSA-N;143.21;2.01;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_C4";;;;;;;2.2;;-2.18;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM393933;MM393933;COC1CC1C(N)C(C)N;UBUMEGMIHRDQPU-UHFFFAOYSA-N;144.22;-0.3;;;;;DOPC;MDCG;27;1;"MARTINI bead: SNa_P3";;;;;;;-1.1;;-6.69;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM393934;MM393934;CCC(CC=CF)C(=N)N;XJVNZWBFAJOABX-UHFFFAOYSA-N;144.19;1.82;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_C5";;;;;;;1.64;;-5.05;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM393935;MM393935;CCC1CC1C(C)N(C)C;UQWAEVQQRGBDJI-UHFFFAOYSA-N;141.26;1.98;;;;;DOPC;MDCG;27;1;"MARTINI bead: SC3_Nd";;;;;;;2.57;;-1.45;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM393936;MM393936;N=C(N)C(CN)CC=CF;HGSPENMEPODJJC-UHFFFAOYSA-N;145.18;0.37;;;;;DOPC;MDCG;27;1;"MARTINI bead: P3_C5";;;;;;;-0.33;;-6.19;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM393937;MM393937;CNC1CC1C(C)N(C)C;ADAXMYJFMHNQCX-UHFFFAOYSA-N;142.25;0.54;;;;;DOPC;MDCG;27;1;"MARTINI bead: SNd_Nd";;;;;;;0.87;;-4.8;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM393938;MM393938;CC=CCC(CF)C(=N)N;BNLDVWHUELWWOM-UHFFFAOYSA-N;144.19;1.47;;;;;DOPC;MDCG;27;1;"MARTINI bead: C4_P1";;;;;;;1.37;;-4.41;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM393939;MM393939;COc1cc(=NN)n(N)o1;KMIFOIKGNKYEGT-UHFFFAOYSA-N;144.13;-1.42;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNa_SP2";;;;;;;-0.24;;-3.24;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM393940;MM393940;C#CC(=O)C(C)NCC=O;NEWYPGFVPBNTOL-UHFFFAOYSA-N;139.15;-0.63;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_Na";;;;;;;-0.24;;-3.24;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM393941;MM393941;CCC1NC1C(C)N(C)C;RKABGKIWFUYBOU-UHFFFAOYSA-N;142.25;0.69;;;;;DOPC;MDCG;27;1;"MARTINI bead: SNd_Nd";;;;;;;0.87;;-3.31;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM393942;MM393942;CC=CCC(CN)C(N)=O;AQFAPDHXTDOLDN-UHFFFAOYSA-N;142.2;0.01;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nda_P2";;;;;;;-0.24;;-5.03;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM393943;MM393943;CC(C1NC1CN)N(C)C;GHPQBCAVMJREHN-UHFFFAOYSA-N;143.23;-0.76;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_SP2";;;;;;;-0.24;;-5.16;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM393944;MM393944;NCC(CC=CF)C(N)=O;DXJHAHCHCYRVMN-UHFFFAOYSA-N;146.17;-0.08;;;;;DOPC;MDCG;27;1;"MARTINI bead: P4_C5";;;;;;;-0.41;;-4.45;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM393945;MM393945;CC(C1NC1CF)N(C)C;YGUBDJYPAAKFCD-UHFFFAOYSA-N;146.21;0.25;;;;;DOPC;MDCG;27;1;"MARTINI bead: SP1_Nd";;;;;;;0.04;;-3.78;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM393946;MM393946;CC=CCC(CF)C(N)=O;XZNDTGFFCFTVMZ-UHFFFAOYSA-N;145.18;1.02;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1_P3";;;;;;;0.94;;0.03;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM393947;MM393947;CCC1OC1C(C)C(C)C;ZTCXVBBQBNZLDW-UHFFFAOYSA-N;142.24;2.46;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNa_C1";;;;;;;2.91;;0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM393948;MM393948;NC(=O)C(CF)CC=CF;CUVUPOOSYDSERP-UHFFFAOYSA-N;149.14;0.93;;;;;DOPC;MDCG;27;0;"MARTINI bead: P3_C4";;;;;;;0.23;;-1.03;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM393949;MM393949;CCC1OC1C(C)C(C)N;WQNAWGQUGZKSBU-UHFFFAOYSA-N;143.23;1.15;;;;;DOPC;MDCG;27;1;"MARTINI bead: SNa_Nd";;;;;;;0.87;;-4.85;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM393950;MM393950;CC=CCC(CF)C(=O)O;VSWTXSVCKGFPSP-UHFFFAOYSA-N;146.16;1.62;;;;;DOPC;MDCG;27;-1;"MARTINI bead: C5_Na";;;;;;;1.64;;-2.65;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM393951;MM393951;CC(N)C(C)C1OC1CO;YJXWNLHLOPPXLZ-UHFFFAOYSA-N;145.2;-0.27;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_SP2";;;;;;;-0.24;;-6.11;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM393952;MM393952;C=C(F)C(CN)CC=CC;YVHIBYXZTGPPMU-UHFFFAOYSA-N;143.21;2.01;;;;;DOPC;MDCG;27;1;"MARTINI bead: C4_Nda";;;;;;;2.2;;-1.93;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM393953;MM393953;CCC1OC1C(C)C(C)O;HKQODCVATIDBLS-UHFFFAOYSA-N;144.21;1.18;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNa_Nda";;;;;;;0.87;;-1.99;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM393954;MM393954;CCOCC(=O)N(C)NC;DNAOYUQQILAXAZ-UHFFFAOYSA-N;146.19;-0.38;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_P2";;;;;;;-0.24;;-3.24;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM393955;MM393955;CCC1OC1C(N)C(C)C;IOGCKHMFHFVWIV-UHFFFAOYSA-N;143.23;1.15;;;;;DOPC;MDCG;27;1;"MARTINI bead: SNa_Nd";;;;;;;0.87;;-4.25;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM393956;MM393956;CNN=CNNC(=N)C#N;AWOPTVQFKLTXKT-UHFFFAOYSA-N;140.15;-1.26;;;;;DOPC;MDCG;27;0;"MARTINI bead: P3_P2";;;;;;;-2.2;;-5.19;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM393957;MM393957;CCC1OC1C(N)C(C)N;KGQHZIJVZQGQJH-UHFFFAOYSA-N;144.22;-0.16;;;;;DOPC;MDCG;27;1;"MARTINI bead: SNa_P3";;;;;;;-1.1;;-6.42;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM393958;MM393958;C=C(C)C(CC=CF)NC;JQMLBPDHKKQQMN-UHFFFAOYSA-N;143.21;2.02;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_C4";;;;;;;2.2;;-2.01;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM393959;MM393959;CCC1OC1C(C)N(C)C;OGQRLWORDYKMTK-UHFFFAOYSA-N;143.23;1.11;;;;;DOPC;MDCG;27;1;"MARTINI bead: SNa_Nd";;;;;;;0.87;;-3.33;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM393960;MM393960;CC=CCC(NC)C(=N)N;KVOMKYHHEMNINH-UHFFFAOYSA-N;141.22;0.48;;;;;DOPC;MDCG;27;1;"MARTINI bead: C4_P3";;;;;;;0.23;;-4.71;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM393961;MM393961;CCN1CC1C(N)C(C)C;NPKYEKMTVHOSAN-UHFFFAOYSA-N;142.25;0.67;;;;;DOPC;MDCG;27;1;"MARTINI bead: SNd_Nd";;;;;;;0.87;;-4.41;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM393962;MM393962;CC=CCC(NC)C(N)=O;DZEMWDJOXCMZNV-UHFFFAOYSA-N;142.2;0.03;;;;;DOPC;MDCG;27;1;"MARTINI bead: C4_P3";;;;;;;0.23;;-2.57;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM393963;MM393963;CC(C)C(C)C1CC1C#N;PGGCMILCHFSBCJ-UHFFFAOYSA-N;137.23;2.44;;;;;DOPC;MDCG;27;0;"MARTINI bead: C3_SC5";;;;;;;3.34;;0.48;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM393964;MM393964;CC=CCC(OC)C(C)=O;ALSAGVNLCARLBD-UHFFFAOYSA-N;142.2;1.56;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_C2";;;;;;;2;;0.29;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM393965;MM393965;C=CC1CC1C(N)C(C)N;FCLNZZHFFSQJFR-UHFFFAOYSA-N;140.23;0.48;;;;;DOPC;MDCG;27;1;"MARTINI bead: P3_SC4";;;;;;;0.23;;-3.56;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM393966;MM393966;COC(CC=CF)C(C)=O;SCAKLEAXNNSHSX-UHFFFAOYSA-N;146.16;1.46;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_C4";;;;;;;1.37;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM393967;MM393967;CCNN=CNC(=N)C#N;NXTLMHGKHDEECK-UHFFFAOYSA-N;139.16;-0.37;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nd_P2";;;;;;;-0.24;;-3.16;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM393968;MM393968;CC(C)N(C)C1CC1C=O;YXMTVULODXYJEE-UHFFFAOYSA-N;141.21;0.91;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_SNa";;;;;;;0.87;;-3.35;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM393969;MM393969;COC(CC=NO)C(N)=O;HGBLNBYFACWTLP-UHFFFAOYSA-N;146.15;-0.66;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_P1";;;;;;;-1.06;;-3.82;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM393970;MM393970;CC(C)C(C)C1NC1C#N;URDDAGRNEUXGKY-UHFFFAOYSA-N;138.21;1.14;;;;;DOPC;MDCG;27;0;"MARTINI bead: C3_SP1";;;;;;;1.74;;0.29;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM393971;MM393971;C=C(C)C(CN)NC=NC;YGOCOKUZKLMGKO-UHFFFAOYSA-N;141.22;0.14;;;;;DOPC;MDCG;27;1;"MARTINI bead: P2_Nd";;;;;;;-0.24;;-5.87;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM393972;MM393972;C=Cc1cc(=NN)n(N)o1;FMDRVUJOKQWPBJ-UHFFFAOYSA-N;140.15;-0.79;;;;;DOPC;MDCG;27;0;"MARTINI bead: SN0_SP2";;;;;;;0.06;;-2.21;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM393973;MM393973;N=C(N)C(CO)NC=NN;KPUZCRUDLAWYAY-UHFFFAOYSA-N;145.17;-2.23;;;;;DOPC;MDCG;27;1;"MARTINI bead: P3_P4";;;;;;;-3.15;;-9.79;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM393974;MM393974;C=CC1OC1C(F)C(C)C;CIVNZYQVXCWJSQ-UHFFFAOYSA-N;144.19;1.93;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4_SNa";;;;;;;2.2;;0.34;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM393975;MM393975;N=C(N)C(CF)N=CNO;QHLSXICQENACAO-UHFFFAOYSA-N;148.14;-0.73;;;;;DOPC;MDCG;27;1;"MARTINI bead: P4_Na";;;;;;;-1.19;;-6.68;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM393976;MM393976;C=CC1OC1C(C)N(C)C;ULPPSRDLLSRATK-UHFFFAOYSA-N;141.21;0.89;;;;;DOPC;MDCG;27;1;"MARTINI bead: SNa_Nd";;;;;;;0.87;;-3.38;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM393977;MM393977;C=CN(C)C(=NN)OCC;XATQJADYWWLRHU-UHFFFAOYSA-N;143.19;0.33;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda_Nd";;;;;;;0.87;;-1.92;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM393978;MM393978;CC(C)C(C)C1CN1C=N;ULECZVBRXMHAJQ-UHFFFAOYSA-N;140.23;1.57;;;;;DOPC;MDCG;27;1;"MARTINI bead: C1_SP2";;;;;;;1.8;;-2.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM393979;MM393979;C=C(F)C(CN)NC=NC;UARNQJZNNPYMNM-UHFFFAOYSA-N;145.18;0.04;;;;;DOPC;MDCG;27;1;"MARTINI bead: P3_C5";;;;;;;-0.33;;-3.98;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM393980;MM393980;CC(C)C(N)C1CN1C=N;DDUQBLBSZRGIQW-UHFFFAOYSA-N;141.22;0.26;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_SP2";;;;;;;-0.24;;-6.03;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM393981;MM393981;C=CNC(=NN)OCOC;PFEWCYZDWRXHHA-UHFFFAOYSA-N;145.16;-0.43;;;;;DOPC;MDCG;27;0;"MARTINI bead: P3_N0";;;;;;;-0.8;;-2.99;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM393982;MM393982;CC(C)C(O)C1CN1C=N;YKMVGCAAFZDFKS-UHFFFAOYSA-N;142.2;0.29;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nda_SP2";;;;;;;-0.24;;-5.89;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM393983;MM393983;C#CCOC(=NN)NC=C;MMBFUSGQGSTPLB-UHFFFAOYSA-N;139.16;-0.4;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_N0";;;;;;;0.34;;-1.53;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM393984;MM393984;CC(C)C(O)C1CN1C=O;LQOWHZMTLQOLJC-UHFFFAOYSA-N;143.19;-0.16;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda_SP2";;;;;;;-0.24;;-3.31;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM393985;MM393985;CC=NNC(CO)C(=N)N;SNAAKCPKGAUMLM-UHFFFAOYSA-N;144.18;-1.12;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_P4";;;;;;;-1.19;;-7.56;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM393986;MM393986;CC(C)C(F)C1CN1C=O;APQZFDJQEBPVAR-UHFFFAOYSA-N;145.18;0.82;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4_SP2";;;;;;;1.09;;-0.38;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM393987;MM393987;CC=NNC(CF)C(=N)N;UUEFFDZSXRCGKY-UHFFFAOYSA-N;146.17;-0.14;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_P2";;;;;;;-0.24;;-5.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM393988;MM393988;C=NN1CC1C(C)C(C)C;YTRXZLOFYVIHMF-UHFFFAOYSA-N;140.23;1.58;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1_SP2";;;;;;;1.8;;0.4;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM393989;MM393989;CC=CNC(=NN)OCC;YQLARVNQXLHGSH-UHFFFAOYSA-N;143.19;0.38;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda_Nd";;;;;;;0.87;;-1.92;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM393990;MM393990;C#Cc1cc(=NN)n(N)o1;HKPYOSZWPNHSAA-UHFFFAOYSA-N;138.13;-1.45;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP2_SN0";;;;;;;0.06;;-2.21;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM393991;MM393991;C=C(F)C(CC)NN=CC;FSYWKHIRHZQQJR-UHFFFAOYSA-N;144.19;1.84;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nd_C5";;;;;;;1.64;;0.02;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM393992;MM393992;CC(C1CN1C=N)N(C)C;VVFKTKJKAWXHRK-UHFFFAOYSA-N;141.22;0.23;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_SP2";;;;;;;-0.24;;-6.04;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM393993;MM393993;CC#CC(=NN=CC)NN;AUXAQAOGIMOUHT-UHFFFAOYSA-N;138.17;-0.12;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1_P3";;;;;;;0.94;;0.03;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM393994;MM393994;C=NN1CC1C(C)N(C)C;JQZIJHQULRGUAH-UHFFFAOYSA-N;141.22;0.24;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_SP2";;;;;;;-0.24;;-4.3;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM393995;MM393995;CC=COC(CO)C(C)=O;YWQNIOVDSZAXKY-UHFFFAOYSA-N;144.17;0.49;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4_P3";;;;;;;0.23;;-1.03;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM393996;MM393996;C#CC1CC1C(N)C(C)N;HHDMMGNAWXFLCY-UHFFFAOYSA-N;138.21;-0.07;;;;;DOPC;MDCG;27;1;"MARTINI bead: P3_SC5";;;;;;;-0.33;;-4.53;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM393997;MM393997;CC(=O)C(CO)OC=CF;MJWAUHDIJJVFOP-UHFFFAOYSA-N;148.13;0.39;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_Na";;;;;;;-0.24;;-3.24;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM393998;MM393998;CN=c1nnc(N)nn1C;VCCQQBWGJYYFGC-UHFFFAOYSA-N;140.15;-1.68;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP2_SP2";;;;;;;-1.34;;-4.31;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM393999;MM393999;N=C(N)C(CO)OC=CF;ADINUXUORRVXNX-UHFFFAOYSA-N;148.14;-0.26;;;;;DOPC;MDCG;27;1;"MARTINI bead: P4_Na";;;;;;;-1.19;;-7.72;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM394000;MM394000;C#CC1CC1C(C)N(C)C;ZKSLWIMOMHJURS-UHFFFAOYSA-N;137.23;1.21;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_SC5";;;;;;;1.64;;-2.62;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM394001;MM394001;NC(=O)C(CO)OC=CF;IKOHIXUIGGICKD-UHFFFAOYSA-N;149.12;-0.71;;;;;DOPC;MDCG;27;0;"MARTINI bead: P4_C5";;;;;;;-0.41;;-2.78;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM394002;MM394002;C#CC1NC1C(N)C(C)O;KOQPJYYSWDLUTN-UHFFFAOYSA-N;140.19;-1.33;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1_SP2";;;;;;;-1.06;;-5.48;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM394003;MM394003;NC(=O)C(CF)OC=CF;ALJJBLBZPQTXLF-UHFFFAOYSA-N;151.11;0.27;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_Na";;;;;;;-0.24;;-3.24;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM394004;MM394004;C#CC1NC1C(C)N(C)C;DTSAUOGSFXPSOQ-UHFFFAOYSA-N;138.21;-0.09;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_SP3";;;;;;;-1.1;;-5.04;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM394005;MM394005;CCC(OC=NO)C(=N)N;RTLVDGJLHJAUAF-UHFFFAOYSA-N;145.16;0.14;;;;;DOPC;MDCG;27;1;"MARTINI bead: C5_P3";;;;;;;-0.33;;-5.48;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM394006;MM394006;C#CC1OC1C(C)C(C)N;ZQXMEPFFKZIRQV-UHFFFAOYSA-N;139.2;0.37;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1_SNa";;;;;;;0.04;;-5.49;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM394007;MM394007;N=C(N)C(CO)OC=NN;SJURIULENFKLDP-UHFFFAOYSA-N;146.15;-1.8;;;;;DOPC;MDCG;27;1;"MARTINI bead: P2_P3";;;;;;;-2.2;;-7.65;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM394008;MM394008;C#CC1OC1C(O)C(C)N;ZNIWIQQZTGJMQX-UHFFFAOYSA-N;141.17;-0.9;;;;;DOPC;MDCG;27;1;"MARTINI bead: P2_SNa";;;;;;;-0.24;;-5.57;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM394009;MM394009;N=C(N)C(CO)OC=NO;JTOGRJQCMYBANT-UHFFFAOYSA-N;147.13;-1.28;;;;;DOPC;MDCG;27;1;"MARTINI bead: P4_P1";;;;;;;-2.01;;-8.05;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM394010;MM394010;C=C(C)C(O)C1CC1CN;ZSDHCXWXNQOWGC-UHFFFAOYSA-N;141.21;0.52;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nda_SNd";;;;;;;0.87;;-4.42;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM394011;MM394011;N=C(N)C(CF)OC=NO;IRDWRUREMFMYJB-UHFFFAOYSA-N;149.13;-0.31;;;;;DOPC;MDCG;27;1;"MARTINI bead: P3_Na";;;;;;;-1.1;;-7.09;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM394012;MM394012;C=C(C)C(O)C1CC1NC;PSAZTXDMKHSSHS-UHFFFAOYSA-N;141.21;0.53;;;;;DOPC;MDCG;27;1;"MARTINI bead: SNd_Nda";;;;;;;0.87;;-4.21;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM394013;MM394013;CC=COC(C=O)=NNC;JYUIGHRNELGUBX-UHFFFAOYSA-N;142.16;0.27;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_C4";;;;;;;1.09;;-0.38;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM394014;MM394014;C=C(C)C(N)C1CC1OC;NAJWUDJHKBFVDG-UHFFFAOYSA-N;141.21;0.92;;;;;DOPC;MDCG;27;1;"MARTINI bead: SNa_Nd";;;;;;;0.87;;-4.37;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM394015;MM394015;NC(=O)C(CO)OC=NO;BJLZPBICXSRHMH-UHFFFAOYSA-N;148.12;-1.73;;;;;DOPC;MDCG;27;0;"MARTINI bead: P4_P1";;;;;;;-2.01;;-5.13;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM394016;MM394016;CCC1CC1N(C)C(C)=N;ZGLCNJXPZITRMS-UHFFFAOYSA-N;140.23;1.71;;;;;DOPC;MDCG;27;1;"MARTINI bead: SC3_Nd";;;;;;;2.57;;-3.61;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM394017;MM394017;CNN=C(C=O)OC=CF;GDXYFKQZUKOZKM-UHFFFAOYSA-N;146.12;0.18;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_C5";;;;;;;0.54;;-1.09;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM394018;MM394018;CC(=O)N(C)C1CC1CF;PDXKEDMOGKWGSE-UHFFFAOYSA-N;145.18;0.82;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_SC5";;;;;;;0.54;;-1.09;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM394019;MM394019;NC(=O)C(CF)OC=NO;YWQVRNGULRJNLQ-UHFFFAOYSA-N;150.11;-0.76;;;;;DOPC;MDCG;27;0;"MARTINI bead: P3_Na";;;;;;;-1.1;;-4.2;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM394020;MM394020;CCC1CC1N(O)C(C)=N;LTRBYURIRZQERX-UHFFFAOYSA-N;142.2;1.47;;;;;DOPC;MDCG;27;1;"MARTINI bead: SC3_P2";;;;;;;1.46;;-1.65;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM394021;MM394021;C=Cn1[nH]nc(N)c1=O;DMAGRWQLAUBPMU-UHFFFAOYSA-N;126.12;-0.75;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP2_SP2";;;;;;;-1.34;;-8.34;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM394022;MM394022;CNC1CC1N(C)C(C)=N;IDZRWKSUCWTTEW-UHFFFAOYSA-N;141.22;0.28;;;;;DOPC;MDCG;27;1;"MARTINI bead: SNd_Nd";;;;;;;0.87;;-6.73;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM394023;MM394023;CC=COC(OC)C(=N)N;ZCYSSKRCNRYZHK-UHFFFAOYSA-N;144.17;0.45;;;;;DOPC;MDCG;27;1;"MARTINI bead: P4_C4";;;;;;;0.15;;-4.41;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM394024;MM394024;CNC1CC1N(N)C(C)=N;OHQSUGDOOYOEIY-UHFFFAOYSA-N;142.21;-0.48;;;;;DOPC;MDCG;27;1;"MARTINI bead: SNd_P2";;;;;;;-0.24;;-5.91;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM394025;MM394025;COC(OC=CF)C(=N)N;RARCXKGAGWMWAB-UHFFFAOYSA-N;148.14;0.35;;;;;DOPC;MDCG;27;1;"MARTINI bead: P2_Na";;;;;;;-0.24;;-5.56;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM394026;MM394026;COC1CC1N(C)C(C)=O;YKNDSXLMFYLIAM-UHFFFAOYSA-N;143.19;0.25;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNa_P2";;;;;;;-0.24;;-3.24;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM394027;MM394027;CC=COC(OC)C(N)=O;MMZHFTYBBUDJFA-UHFFFAOYSA-N;145.16;-0.01;;;;;DOPC;MDCG;27;0;"MARTINI bead: P3_C4";;;;;;;0.23;;-1.03;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM394028;MM394028;COC1CC1N(N)C(C)=N;BTNYRSMKQVUKAW-UHFFFAOYSA-N;143.19;-0.05;;;;;DOPC;MDCG;27;1;"MARTINI bead: SNa_P2";;;;;;;-0.24;;-5.72;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM394029;MM394029;C=CC(=CC(=O)O)C(N)=O;XDFIYXPGBFZQRW-UHFFFAOYSA-N;141.13;-0.33;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda_P1";;;;;;;0.04;;-6.78;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM394030;MM394030;COC1CC1N(N)C(C)=O;TVLWYVJBNHRLEM-UHFFFAOYSA-N;144.17;-0.5;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNa_P3";;;;;;;-1.1;;-4.2;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM394031;MM394031;CC(=CC(=O)O)C(N)=O;GWENLLRIMBJBRA-UHFFFAOYSA-N;129.12;-0.5;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_P1";;;;;;;-0.79;;-7.2;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM394032;MM394032;C=C(C)C(N)C1NC1CC;HLELZUVAUPVJLL-UHFFFAOYSA-N;140.23;0.64;;;;;DOPC;MDCG;27;1;"MARTINI bead: SNd_Nd";;;;;;;0.87;;-3.83;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM394033;MM394033;Nc1c(F)c(N)n(N)c1F;JVBFZXRXMKPZKX-UHFFFAOYSA-N;148.12;-0.36;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNda_SNda";;;;;;;0.87;;-2.07;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM394034;MM394034;C=C(C)C(N)C1NC1CO;ZAXBHWLQPKDLTH-UHFFFAOYSA-N;142.2;-0.78;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_SP2";;;;;;;-0.24;;-4.56;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM394035;MM394035;C=C(F)C(OC)OC=NO;PHFSOLYLZNVAHG-UHFFFAOYSA-N;149.12;0.88;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_C5";;;;;;;0.54;;-1.09;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM394036;MM394036;C=C(C)C(C)C1OC1CC;ROTYPCOEAFGRSV-UHFFFAOYSA-N;140.23;2.38;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNa_C1";;;;;;;2.91;;0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM394037;MM394037;CC=NOC(CN)C(=N)N;QGSQFUVVZOLQPO-UHFFFAOYSA-N;144.18;-0.73;;;;;DOPC;MDCG;27;1;"MARTINI bead: P2_P1";;;;;;;-1.06;;-5.17;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM394038;MM394038;CCC1CN1N(C)C(C)=O;FAFZLVYELQCMTR-UHFFFAOYSA-N;142.2;0.47;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP1_P3";;;;;;;-1.93;;-4.72;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM394039;MM394039;CC=NOC(CO)C(=N)N;AFOXAPVHDCHGAV-UHFFFAOYSA-N;145.16;-0.69;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nda_P3";;;;;;;-1.1;;-5.04;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM394040;MM394040;CC(=O)N(C)N1CC1CN;GMHRLCXABGWFGY-UHFFFAOYSA-N;143.19;-0.98;;;;;DOPC;MDCG;27;1;"MARTINI bead: P3_SP2";;;;;;;-2.2;;-6.69;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM394041;MM394041;Cc1oc(=NN)n(C)c1C;ZHOCRZWOVNFLLI-UHFFFAOYSA-N;141.17;0.01;;;;;DOPC;MDCG;27;0;"MARTINI bead: SN0_SP1";;;;;;;0.34;;-1.53;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM394042;MM394042;C=C(C)C(C)C1CC1C=O;LOVSGSPZNCLYHO-UHFFFAOYSA-N;138.21;2.03;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1_SNa";;;;;;;2.91;;0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM394043;MM394043;C=C(F)C(OC)ON=CC;SJNPYOKOZRQDRU-UHFFFAOYSA-N;147.15;1.46;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_C5";;;;;;;1.64;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM394044;MM394044;C=C(C)C(C)C1CC1C#N;XYGHGFXLVJVCJW-UHFFFAOYSA-N;135.21;2.36;;;;;DOPC;MDCG;27;0;"MARTINI bead: SN0_C1";;;;;;;3.21;;0.46;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM394045;MM394045;CCN(CC=CF)C(C)=N;ICRQYOJYUXOKIA-UHFFFAOYSA-N;144.19;1.79;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_C5";;;;;;;1.64;;-4.46;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM394046;MM394046;C=C(F)C(C)C1CC1C#N;WQZNEOCFVFKTPB-UHFFFAOYSA-N;139.17;2.27;;;;;DOPC;MDCG;27;0;"MARTINI bead: SN0_C3";;;;;;;2.87;;0.37;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM394047;MM394047;CC=CCN(CC)C(C)=O;MESOHJAWNKAATM-UHFFFAOYSA-N;141.21;1.43;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda_C4";;;;;;;2.2;;0.49;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM394048;MM394048;CC(=O)C(O)C1CC1C#N;BDJDOHASUUTBBQ-UHFFFAOYSA-N;139.15;0.1;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_SN0";;;;;;;0.06;;-2.21;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM394049;MM394049;CC=CCN(CC)C(=N)N;DKAZHBLITCLGAL-UHFFFAOYSA-N;141.22;0.78;;;;;DOPC;MDCG;27;1;"MARTINI bead: P2_C4";;;;;;;1.09;;-5.18;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM394050;MM394050;CC(=N)N(C)C1CC1C#N;MWRBVTBUNPYCCA-UHFFFAOYSA-N;137.19;0.83;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_SN0";;;;;;;1.17;;-5.66;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM394051;MM394051;CCN(CC=CF)C(=N)N;KOQDOEWHZMFRSV-UHFFFAOYSA-N;145.18;0.68;;;;;DOPC;MDCG;27;1;"MARTINI bead: P2_C5";;;;;;;0.54;;-5.81;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM394052;MM394052;CC(=O)N(C)C1CC1C#N;HFXYEBLCWNURNI-UHFFFAOYSA-N;138.17;0.38;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_SN0";;;;;;;0.06;;-2.21;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM394053;MM394053;C#CC(=NN)ONC=NN;ZPAUJJQRJDHNCX-UHFFFAOYSA-N;141.13;-1.69;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_P1";;;;;;;-0.79;;-3.13;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM394054;MM394054;C=C(C)C(C)C1NC1C#N;RSZQZJGGFRESHH-UHFFFAOYSA-N;136.2;1.06;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP2_C1";;;;;;;1.8;;0.4;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM394055;MM394055;CCN(CC=CF)C(N)=O;JUIHDFRUEOUAGH-UHFFFAOYSA-N;146.17;0.87;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_C5";;;;;;;0.81;;-0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM394056;MM394056;Cc1non(C=NN)c1=N;MXZAQSVNHPBPNZ-UHFFFAOYSA-N;141.13;-0.99;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNa_SP3";;;;;;;-1.1;;-4.2;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM394057;MM394057;CCN(CC=NO)C(C)=N;YQKQOVIAYRYDIA-UHFFFAOYSA-N;143.19;0.77;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_P1";;;;;;;0.04;;-7.15;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM394058;MM394058;C=CC1NC1C(C)C(=N)N;XCQSQQMEPIBJAM-UHFFFAOYSA-N;139.2;0.08;;;;;DOPC;MDCG;27;1;"MARTINI bead: SP1_P1";;;;;;;-0.79;;-7.98;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM394059;MM394059;CC#CCNC(=NN)OC;ZVHKRIBQFGJATM-UHFFFAOYSA-N;141.17;-0.52;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_N0";;;;;;;0.34;;-1.53;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM394060;MM394060;CC(C(=N)N)C1NC1C#N;JBGRRNVXORXIQL-UHFFFAOYSA-N;138.17;-0.58;;;;;DOPC;MDCG;27;1;"MARTINI bead: SP2_P1";;;;;;;-1.06;;-8.44;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM394061;MM394061;COC=CNC(=NN)OC;STZURNUCUKWJGT-UHFFFAOYSA-N;145.16;-0.43;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_P2";;;;;;;-0.24;;-3.24;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM394062;MM394062;C=C(C)C(C)C1CN1C=N;CVIOUVZJQFCSET-UHFFFAOYSA-N;138.21;1.49;;;;;DOPC;MDCG;27;1;"MARTINI bead: SP2_C1";;;;;;;1.8;;-1.98;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM394063;MM394063;C=C(C)C(C)C1CN1C=O;QFOXOGHDSGSXII-UHFFFAOYSA-N;139.2;1.04;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP2_C1";;;;;;;1.8;;0.4;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM394064;MM394064;CCCNN=C(NN)OC;CBAYWSDCPRONMP-UHFFFAOYSA-N;146.19;-0.63;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nd_P2";;;;;;;-0.24;;-3.16;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM394065;MM394065;CC(C(=N)N)C1CN1C=O;LAVCWZJFFKRQJN-UHFFFAOYSA-N;141.17;-0.6;;;;;DOPC;MDCG;27;1;"MARTINI bead: SP2_P1";;;;;;;-1.06;;-8.45;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM394066;MM394066;CNN(CC=NO)C(N)=O;YJRGULMBHIGJJD-UHFFFAOYSA-N;146.15;-1.04;;;;;DOPC;MDCG;27;0;"MARTINI bead: P3_P1";;;;;;;-1.93;;-4.72;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM394067;MM394067;N=C(N)C(N)C1CN1C=O;HQWURAGRVQZDDY-UHFFFAOYSA-N;142.16;-1.91;;;;;DOPC;MDCG;27;1;"MARTINI bead: SP2_P4";;;;;;;-2.29;;-9.04;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM394068;MM394068;CC=CCN(OC)C(C)=N;GWCALTIXVAJHSH-UHFFFAOYSA-N;142.2;1.42;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1_C4";;;;;;;1.37;;-1.35;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM394069;MM394069;C=NN1CC1C(C)C(=C)C;HQYJFBWQJXQLNP-UHFFFAOYSA-N;138.21;1.5;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP2_C1";;;;;;;1.8;;0.4;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM394070;MM394070;CC=CCN(OC)C(C)=O;PVGXEWSTCMJSRC-UHFFFAOYSA-N;143.19;0.97;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_C4";;;;;;;1.37;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM394071;MM394071;CCOC=NN=CNNC;YMCQANDGTGRBDR-UHFFFAOYSA-N;144.18;-0.28;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_P3";;;;;;;-0.33;;-2.01;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM394072;MM394072;CON(CC=CF)C(C)=O;UEIADBWZMWGTKL-UHFFFAOYSA-N;147.15;0.88;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_C5";;;;;;;0.81;;-0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM394073;MM394073;C=CC1CN1N(C)C(C)=O;AVZPOVCIQDABBL-UHFFFAOYSA-N;140.19;0.25;;;;;DOPC;MDCG;27;0;"MARTINI bead: P3_SP1";;;;;;;-1.93;;-4.72;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM394074;MM394074;CON(CC=NN)C(=N)N;YEYVELLIJUJCAG-UHFFFAOYSA-N;145.17;-1.31;;;;;DOPC;MDCG;27;1;"MARTINI bead: P2_P1";;;;;;;-1.06;;-6.39;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM394075;MM394075;CC(=O)N(C)N1CC1C#N;SSOOPUONINUNLU-UHFFFAOYSA-N;139.16;-0.41;;;;;DOPC;MDCG;27;0;"MARTINI bead: P3_SP2";;;;;;;-2.2;;-5.19;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM394076;MM394076;CON(CC=NO)C(=N)N;GGJHDKORZOQFEQ-UHFFFAOYSA-N;146.15;-0.8;;;;;DOPC;MDCG;27;1;"MARTINI bead: P2_P1";;;;;;;-1.06;;-6.59;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM394077;MM394077;CN(C(N)=O)N1CC1C#N;LGDMGPXKIRJIQN-UHFFFAOYSA-N;140.15;-0.88;;;;;DOPC;MDCG;27;0;"MARTINI bead: P4_SP2";;;;;;;-2.29;;-5.95;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM394078;MM394078;C=CCN(C)C(=NN)OC;FOQKQLDIRSELNK-UHFFFAOYSA-N;143.19;-0.02;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_N0";;;;;;;0.34;;-1.53;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM394079;MM394079;C#CC1CC1C(C)C(=C)C;YGXZSCXIHFVIOU-UHFFFAOYSA-N;134.22;2.47;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC5_C1";;;;;;;3.68;;0.46;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM394080;MM394080;CON(CC=NO)C(N)=O;MDLDGNWRGXSPCI-UHFFFAOYSA-N;147.13;-0.61;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_P1";;;;;;;-1.06;;-3.82;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM394081;MM394081;Cn1cncc(F)c1=NN;KLEGPMMZCMFJKQ-UHFFFAOYSA-N;142.14;-0.67;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNa_SP2";;;;;;;-0.24;;-3.24;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM394082;MM394082;CCN(OC=NO)C(C)=O;MPTLTUZBJZNGGO-UHFFFAOYSA-N;146.15;0.2;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_Na";;;;;;;0.04;;-2.54;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM394083;MM394083;C#CC1CC1C(C)C(=C)F;IAZWPBJPZGIVPR-UHFFFAOYSA-N;138.19;2.38;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC5_C3";;;;;;;3.34;;0.48;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM394084;MM394084;C=C(C)C(C=O)CC=CC;YHAHFVBZEPBQLT-UHFFFAOYSA-N;138.21;2.34;;;;;DOPC;MDCG;27;0;"MARTINI bead: C2_Na";;;;;;;2.83;;0.35;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM394085;MM394085;C#CC1CC1C(F)C(=C)F;ALDDNXBQCABOAV-UHFFFAOYSA-N;142.15;2.08;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC5_C5";;;;;;;2.41;;0.64;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM394086;MM394086;C=C(C)C(C#N)CC=CF;UBDZXGQOCCAKKW-UHFFFAOYSA-N;139.17;2.58;;;;;DOPC;MDCG;27;0;"MARTINI bead: N0_C4";;;;;;;2.5;;0.44;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM394087;MM394087;C#CC1CC1N(C)C(C)=N;KXGWQYNGXCFYCN-UHFFFAOYSA-N;136.2;0.94;;;;;DOPC;MDCG;27;1;"MARTINI bead: SC5_P1";;;;;;;0.81;;-5.1;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM394088;MM394088;C=CC(CC=CC)C(C)=O;OYLOXDNOLSZOLL-UHFFFAOYSA-N;138.21;2.34;;;;;DOPC;MDCG;27;0;"MARTINI bead: C2_Na";;;;;;;2.83;;0.35;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM394089;MM394089;Cc1cnnn(N)c1=NN;OBLRLLNOWGIARY-UHFFFAOYSA-N;140.15;-1.93;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP2_SP2";;;;;;;-1.34;;-4.31;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM394090;MM394090;C=CC(CC=CC)C(=N)N;BFOSHKOPUPUAGR-UHFFFAOYSA-N;138.21;1.69;;;;;DOPC;MDCG;27;1;"MARTINI bead: C2_P1";;;;;;;2;;-3.33;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM394091;MM394091;C#CC1NC1C(C)C(=N)N;AORLYPUKSDZDHJ-UHFFFAOYSA-N;137.19;-0.47;;;;;DOPC;MDCG;27;1;"MARTINI bead: SP3_P1";;;;;;;-1.93;;-8.78;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM394092;MM394092;C=CC(CC=CF)C(=N)N;NRRQQRZJXWHBAR-UHFFFAOYSA-N;142.18;1.6;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1_C5";;;;;;;0.81;;-5.22;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM394093;MM394093;C#CC1NC1C(N)C(=C)C;OHSXVSIRNUPLJD-UHFFFAOYSA-N;136.2;-0.14;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_SP3";;;;;;;-1.1;;-5.6;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM394094;MM394094;CC=CCC(C=O)C(=N)N;BASXKQRZDNVYFK-UHFFFAOYSA-N;140.19;0.7;;;;;DOPC;MDCG;27;1;"MARTINI bead: C2_P3";;;;;;;0.86;;-3.88;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM394095;MM394095;C#CC1NC1C(N)C(=N)N;KPPVIWOXLHWPHE-UHFFFAOYSA-N;138.17;-1.78;;;;;DOPC;MDCG;27;1;"MARTINI bead: SP3_P4";;;;;;;-3.15;;-9.95;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM394096;MM394096;COC(=NN)N(C)C=CF;RVUMMVUZQSYMMH-UHFFFAOYSA-N;147.15;0.24;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_C5";;;;;;;0.81;;-0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM394097;MM394097;C#CC1OC1C(N)C(=C)C;JORPMJJFRPMIPW-UHFFFAOYSA-N;137.18;0.29;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_SNa";;;;;;;0.87;;-3.63;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM394098;MM394098;C=CC(CC=CF)C(N)=O;BVSVQRASJVZBNU-UHFFFAOYSA-N;143.16;1.15;;;;;DOPC;MDCG;27;0;"MARTINI bead: P3_C1";;;;;;;0.94;;0.03;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM394099;MM394099;C=C(C(C)C)C1CC1CF;CQIDGFIMLGHLID-UHFFFAOYSA-N;142.22;2.8;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1_SC5";;;;;;;3.68;;0.46;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM394100;MM394100;C=CC(CC=CF)C(=C)F;DBEARPWDKILASL-UHFFFAOYSA-N;144.16;3.15;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4_C3";;;;;;;3.9;;0.47;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM394101;MM394101;C=C(C(C)N)C1CC1CC;SJEZGAZOPXUKHX-UHFFFAOYSA-N;139.24;1.94;;;;;DOPC;MDCG;27;1;"MARTINI bead: SC3_Nd";;;;;;;2.57;;-1.2;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM394102;MM394102;C=CC(CC=NN)C(=C)C;UDSLWXDWFQMDRH-UHFFFAOYSA-N;138.21;1.7;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1_Nd";;;;;;;2.91;;0.64;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM394103;MM394103;C=C(C(C)N)C1CC1CN;HXHKXFJHWQFBNZ-UHFFFAOYSA-N;140.23;0.48;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_SNd";;;;;;;0.87;;-5.07;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM394104;MM394104;CC(=O)C(C=O)CC=NO;CAVXVEXQRYXMQA-UHFFFAOYSA-N;143.14;0.24;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_P1";;;;;;;0.04;;-2.54;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM394105;MM394105;CON(C)C=NN;WUEKFVFGYVNZRQ-UHFFFAOYSA-N;103.13;-0.62;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_P1";;;;;;;-0.79;;-3.13;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM394106;MM394106;N#CC(CC=NO)C(=N)N;HODGGYMTMKRTOO-UHFFFAOYSA-N;140.15;-0.09;;;;;DOPC;MDCG;27;1;"MARTINI bead: P2_P1";;;;;;;-1.06;;-6.59;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM394107;MM394107;C=NN(C)C=NN;CYWLZUZGXMILFQ-UHFFFAOYSA-N;100.13;-0.56;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_P1";;;;;;;-1.06;;-3.82;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM394108;MM394108;N#CC(CC=NO)C(N)=O;AAAHBNPUYPTTJN-UHFFFAOYSA-N;141.13;-0.54;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_P1";;;;;;;-1.06;;-3.82;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM394109;MM394109;NN=CNOC=O;LMXNGJZPXCBUKD-UHFFFAOYSA-N;103.08;-1.43;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_P2";;;;;;;-1.06;;-3.82;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM394110;MM394110;C=CC(NC=NC)C(=C)C;CFHSBXJJZREJNP-UHFFFAOYSA-N;138.21;1.36;;;;;DOPC;MDCG;27;1;"MARTINI bead: P2_C1";;;;;;;1.8;;-1.41;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM394111;MM394111;C=C(C(C)C)C1NC1CF;DWGOLQWLQCPSHI-UHFFFAOYSA-N;143.21;1.51;;;;;DOPC;MDCG;27;0;"MARTINI bead: C2_SP1";;;;;;;2;;0.31;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM394112;MM394112;CCC=C1CCC(O)CC1;QXQBDVITEDNZNM-UHFFFAOYSA-N;140.23;2.26;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC1_SNda";;;;;;;2.91;;0.57;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM394113;MM394113;C=C(C(C)N)C1NC1CC;RFLMOZILKQVQIK-UHFFFAOYSA-N;140.23;0.64;;;;;DOPC;MDCG;27;1;"MARTINI bead: SNd_Nd";;;;;;;0.87;;-4.25;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM394114;MM394114;CN=CNC(C#N)C(=N)N;TWPUAZLXJCGPSJ-UHFFFAOYSA-N;139.16;-0.94;;;;;DOPC;MDCG;27;1;"MARTINI bead: P2_P2";;;;;;;-1.34;;-5.37;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM394115;MM394115;C=C(C(C)C)C1OC1CC;HUBOCPRTVWFOBD-UHFFFAOYSA-N;140.23;2.38;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNa_C2";;;;;;;2.83;;0.35;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM394116;MM394116;N#CC(NC=NO)C(=N)N;YVOQAJKAAGEJKL-UHFFFAOYSA-N;141.13;-1.18;;;;;DOPC;MDCG;27;1;"MARTINI bead: P4_P1";;;;;;;-2.01;;-6.14;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM394117;MM394117;C=C(C(C)C)C1OC1CN;VDWIXYPKTQNHTB-UHFFFAOYSA-N;141.21;0.92;;;;;DOPC;MDCG;27;1;"MARTINI bead: C2_SP2";;;;;;;1.72;;-1.29;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM394118;MM394118;CN(C=NO)C(=N)C(=O)O;HMHIENSOTZLWRW-UHFFFAOYSA-N;145.12;-0.6;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_P1";;;;;;;-1.06;;-7.85;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM394119;MM394119;C=C(C(C)C)C1OC1CO;NZGFESSIYQLSHZ-UHFFFAOYSA-N;142.2;0.96;;;;;DOPC;MDCG;27;0;"MARTINI bead: C2_SP2";;;;;;;1.72;;0.27;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM394120;MM394120;C=C(F)C(C#N)NC=NO;VNCMJXRKGXNHSJ-UHFFFAOYSA-N;143.12;0.37;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_C5";;;;;;;0.54;;-1.09;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM394121;MM394121;CCC1OC1C(=O)C(C)C;YKEAUOBWVDKXIP-UHFFFAOYSA-N;142.2;1.39;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNa_Na";;;;;;;0.87;;-2.22;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM394122;MM394122;CC=COC(C#N)C(=N)N;BIEFILWBVUYWFR-UHFFFAOYSA-N;139.16;0.36;;;;;DOPC;MDCG;27;1;"MARTINI bead: C4_P4";;;;;;;0.15;;-3.22;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM394123;MM394123;C=C(C(C)N)C1CN1CC;WHMXBDPXFGYBEH-UHFFFAOYSA-N;140.23;0.59;;;;;DOPC;MDCG;27;1;"MARTINI bead: SNd_Nd";;;;;;;0.87;;-4.25;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM394124;MM394124;C=CC(OC=CC)C(N)=O;UFEGZLZWINVOSY-UHFFFAOYSA-N;141.17;0.58;;;;;DOPC;MDCG;27;0;"MARTINI bead: C2_P3";;;;;;;0.86;;-0.3;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM394125;MM394125;NN=CNC=C(F)F;RATFOHZRUHROGJ-UHFFFAOYSA-N;121.09;0.22;;;;;DOPC;MDCG;27;0;"MARTINI bead: P3_C4";;;;;;;0.23;;-1.03;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM394126;MM394126;CC=COC(C#N)C(N)=O;SXDDMKZTQKXXAM-UHFFFAOYSA-N;140.14;-0.09;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4_P4";;;;;;;0.15;;-2.18;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM394127;MM394127;CCN1CC1C(=O)C(C)C;CVYUNTOXWBCYDM-UHFFFAOYSA-N;141.21;0.92;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNd_Na";;;;;;;0.87;;-1.88;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM394128;MM394128;N#CC(OC=CF)C(N)=O;DOKJAOPHOCQBCQ-UHFFFAOYSA-N;144.11;-0.18;;;;;DOPC;MDCG;27;0;"MARTINI bead: P4_C5";;;;;;;-0.41;;-2.78;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM394129;MM394129;C=CC1CC1C(=C)C(C)C;VVIBPPXZCQEHHV-UHFFFAOYSA-N;136.24;3.02;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1_SC4";;;;;;;4.24;;0.42;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM394130;MM394130;CC(=O)C(C=O)OC=NO;IPZHVFHQSDDNKY-UHFFFAOYSA-N;145.11;-0.42;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_P2";;;;;;;-0.24;;-3.24;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM394131;MM394131;C=C(C(C)C)C1CC1C=O;PVBWSNWDVOGJFE-UHFFFAOYSA-N;138.21;2.03;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1_SNa";;;;;;;2.91;;0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM394132;MM394132;CC(=O)C(C#N)OC=NO;HALGNAUXVCGBNZ-UHFFFAOYSA-N;142.11;-0.1;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_P2";;;;;;;-0.24;;-3.24;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM394133;MM394133;CN1C(C=O)C1(C)C;NDSANEVQRZCFFV-UHFFFAOYSA-N;113.16;0.28;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_SNd";;;;;;;-0.24;;-3.16;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM394134;MM394134;C=CC(OC=NO)C(=N)N;VDNKXPSUYHSKRZ-UHFFFAOYSA-N;143.15;-0.09;;;;;DOPC;MDCG;27;1;"MARTINI bead: P3_N0";;;;;;;-0.8;;-6.14;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM394135;MM394135;CC(C)C(=O)C1CC1C#N;CFHYNRLILKBUMT-UHFFFAOYSA-N;137.18;1.37;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_SN0";;;;;;;1.17;;-1.18;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM394136;MM394136;N=C(N)C(C=O)OC=NO;OPRMOHAVVZZYOP-UHFFFAOYSA-N;145.12;-1.08;;;;;DOPC;MDCG;27;1;"MARTINI bead: P3_P2";;;;;;;-2.2;;-7.68;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM394137;MM394137;C=CC1NC1C(=C)C(C)C;WOKWCQZMBYIYBM-UHFFFAOYSA-N;137.23;1.73;;;;;DOPC;MDCG;27;0;"MARTINI bead: C2_SP1";;;;;;;2;;0.36;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM394138;MM394138;N=C(CO)N=C(N)C(=O)O;VYFJYXPGXKATSM-UHFFFAOYSA-N;145.12;-1.6;;;;;DOPC;MDCG;27;0;"MARTINI bead: P4_P1";;;;;;;-2.01;;-8.79;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM394139;MM394139;C=C(C(C)F)C1NC1C#N;CWSVZKHEBFGSRA-UHFFFAOYSA-N;140.16;0.76;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_SP1";;;;;;;0.81;;-0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM394140;MM394140;C=C(F)C(C#N)OC=NO;LJAAAOXNVKDJSA-UHFFFAOYSA-N;144.11;0.8;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_C5";;;;;;;0.54;;-1.09;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM394141;MM394141;C=CC1OC1C(=C)C(C)C;JVGPCMRYJYKLFJ-UHFFFAOYSA-N;138.21;2.15;;;;;DOPC;MDCG;27;0;"MARTINI bead: C2_SNa";;;;;;;2.83;;0.35;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM394142;MM394142;CC=CC1COC(=NN)N1;MWKALHDPUOUCIG-UHFFFAOYSA-N;141.17;-0.22;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP1_SP2";;;;;;;-1.06;;-3.82;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM394143;MM394143;C=C(C(C)C)C1CN1C=N;FNXNXHISMZBPST-UHFFFAOYSA-N;138.21;1.49;;;;;DOPC;MDCG;27;1;"MARTINI bead: C2_SP2";;;;;;;1.72;;-1.92;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM394144;MM394144;CC#CC1COC(=NN)N1;VHBSBMNKZFJWIY-UHFFFAOYSA-N;139.16;-0.77;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP1_SP2";;;;;;;-1.06;;-3.82;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM394145;MM394145;C=C(C(C)N)C1CN1C=N;JEUXQGWIADUDJD-UHFFFAOYSA-N;139.2;0.18;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_SP2";;;;;;;-0.24;;-5.79;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM394146;MM394146;C=C(C)N(C=N)CC=CC;UPKFXNOWHGRCAG-UHFFFAOYSA-N;138.21;2.01;;;;;DOPC;MDCG;27;1;"MARTINI bead: C4_Nd";;;;;;;2.2;;-2.64;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM394147;MM394147;C=C(C(C)N)C1CN1C=O;AULIBLKNUNFXLO-UHFFFAOYSA-N;140.19;-0.27;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_SP2";;;;;;;-0.24;;-5.19;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM394148;MM394148;C=CN(CC=CF)C(C)=N;BYGDKAPHUHXXQD-UHFFFAOYSA-N;142.18;1.91;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_C5";;;;;;;1.64;;-4.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM394149;MM394149;C=C(C(C)O)C1CN1C=N;IZYJFUBRRBQYJQ-UHFFFAOYSA-N;140.19;0.21;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nda_SP2";;;;;;;-0.24;;-5.88;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM394150;MM394150;CC(=N)N(C=O)CC=CF;BTGAXMFVKIDIEA-UHFFFAOYSA-N;144.15;0.93;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nd_P1";;;;;;;0.04;;-2.63;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM394151;MM394151;CC(C)C(=O)C1CN1C=N;KPQDGGWHSQNHOL-UHFFFAOYSA-N;140.19;0.5;;;;;DOPC;MDCG;27;1;"MARTINI bead: Na_SP2";;;;;;;-0.24;;-4.89;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM394152;MM394152;C=CN(CC=CF)C(C)=O;KZVCPMRGOJGBMW-UHFFFAOYSA-N;143.16;1.46;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_C4";;;;;;;1.37;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM394153;MM394153;C=NN(C=N)C=NN;ZKVSFDULNQCRHO-UHFFFAOYSA-N;113.12;-0.59;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_P2";;;;;;;-1.06;;-3.82;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM394154;MM394154;N=CN(CC=CF)C(=N)N;CSYDGCSNTMVESB-UHFFFAOYSA-N;144.15;0.27;;;;;DOPC;MDCG;27;1;"MARTINI bead: P3_C5";;;;;;;-0.33;;-5.42;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM394155;MM394155;C=NN1CC1C(=C)C(C)N;GJDQSGLGBVYQHQ-UHFFFAOYSA-N;139.2;0.19;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_SP2";;;;;;;-0.24;;-5.29;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM394156;MM394156;C=CN(CC=CF)C(N)=O;QZPQEYSEPHFMAV-UHFFFAOYSA-N;144.15;0.99;;;;;DOPC;MDCG;27;0;"MARTINI bead: P3_C4";;;;;;;0.23;;-1.03;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM394157;MM394157;C#CCONC=NN;YDTWHLOMZWTCES-UHFFFAOYSA-N;113.12;-0.96;;;;;DOPC;MDCG;27;0;"MARTINI bead: P4_N0";;;;;;;-0.88;;-3.74;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM394158;MM394158;CC#CC1CNC(=NN)O1;GAKRKEQCBRPENL-UHFFFAOYSA-N;139.16;-0.77;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP1_SP2";;;;;;;-1.06;;-3.82;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM394159;MM394159;NN=CNOC1CC1;NPTSVXIHQILITK-UHFFFAOYSA-N;115.14;-0.43;;;;;DOPC;MDCG;27;0;"MARTINI bead: P3_SP1";;;;;;;-1.93;;-4.72;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM394160;MM394160;CC=CCN(C=O)C(N)=O;WHCZSRMOQBIWSX-UHFFFAOYSA-N;142.16;0.1;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_P3";;;;;;;-0.33;;-2.01;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM394161;MM394161;C#CC1CC1C(=O)C(C)C;PDDLYSQURMBSEH-UHFFFAOYSA-N;136.19;1.48;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_SC5";;;;;;;1.64;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM394162;MM394162;NC(=O)N(C=O)CC=CF;ZSYCVVIQMFLVCV-UHFFFAOYSA-N;146.12;0.01;;;;;DOPC;MDCG;27;0;"MARTINI bead: P4_C5";;;;;;;-0.41;;-2.78;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM394163;MM394163;C#CC1NC1C(=C)C(C)N;VSCADQKOQGSKFJ-UHFFFAOYSA-N;136.2;-0.14;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_SP3";;;;;;;-1.1;;-6.05;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM394164;MM394164;C=CN(CC=NN)C(=N)N;UCLRQNAOXCTIDE-UHFFFAOYSA-N;141.18;-0.73;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1_P2";;;;;;;-1.06;;-8.22;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM394165;MM394165;C#CC1NC1C(=N)N(C)N;PVVSXGFBNRVIFU-UHFFFAOYSA-N;138.17;-1.26;;;;;DOPC;MDCG;27;1;"MARTINI bead: P3_SP3";;;;;;;-3.07;;-7.69;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM394166;MM394166;C=CN(CC=NO)C(=N)N;PAAGKFLPEYYZHM-UHFFFAOYSA-N;142.16;-0.21;;;;;DOPC;MDCG;27;1;"MARTINI bead: P2_P1";;;;;;;-1.06;;-8.37;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM394167;MM394167;C#CC1OC1C(=C)C(C)N;JTLJYMAABPMVJS-UHFFFAOYSA-N;137.18;0.29;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1_SNa";;;;;;;0.04;;-4.94;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM394168;MM394168;N=CN(CC=NN)C(=N)N;WSLJNNYSMFXCAZ-UHFFFAOYSA-N;142.17;-1.27;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1_P3";;;;;;;-1.93;;-8;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM394169;MM394169;C#CC1OC1C(=C)C(C)F;YJFWEDJYIGPIBE-UHFFFAOYSA-N;140.16;1.3;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_SNa";;;;;;;1.64;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM394170;MM394170;N=CN(CC=NO)C(=N)N;OBXVAYOZGCMARC-UHFFFAOYSA-N;143.15;-0.75;;;;;DOPC;MDCG;27;1;"MARTINI bead: P3_P1";;;;;;;-1.93;;-8.17;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM394171;MM394171;C#CC1OC1C(=O)C(C)C;JQHCQUJFBGLCAL-UHFFFAOYSA-N;138.17;0.61;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_SNa";;;;;;;0.87;;-2.22;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM394172;MM394172;N=C(N)N(C=O)CC=NN;YMXDQHOFDPGWAZ-UHFFFAOYSA-N;143.15;-1.72;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1_P3";;;;;;;-1.93;;-6.13;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM394173;MM394173;C#CC1OC1C(=N)N(C)C;UQCULZILWRBXBR-UHFFFAOYSA-N;138.17;-0.07;;;;;DOPC;MDCG;27;1;"MARTINI bead: P2_SNa";;;;;;;-0.24;;-6.45;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM394174;MM394174;N=C(N)N(C=O)CC=NO;VHBVJWBHVNPSFE-UHFFFAOYSA-N;144.13;-1.2;;;;;DOPC;MDCG;27;1;"MARTINI bead: P3_P1";;;;;;;-1.93;;-5.91;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM394175;MM394175;C=C(C)C(=C)C1CC1CC;DNMOAAAQRRRSLP-UHFFFAOYSA-N;136.24;3.16;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC3_C1";;;;;;;4.61;;0.31;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM394176;MM394176;CCC=C1COC(=NN)N1;AHUGKVQDSJDYCW-UHFFFAOYSA-N;141.17;0.13;;;;;DOPC;MDCG;27;0;"MARTINI bead: SN0_SP2";;;;;;;0.06;;-2.21;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM394177;MM394177;C=C(C)C(=C)C1CC1CN;OPXSZDRQZVYDHC-UHFFFAOYSA-N;137.23;1.71;;;;;DOPC;MDCG;27;1;"MARTINI bead: C1_SNd";;;;;;;2.91;;-0.55;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM394178;MM394178;C=CN(CC=NO)C(N)=O;ADMICZWNZODECL-UHFFFAOYSA-N;143.15;-0.03;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_P1";;;;;;;-1.06;;-3.82;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM394179;MM394179;C=C(C(=N)N)C1CC1CF;HTBZWHXIXHDYQO-UHFFFAOYSA-N;142.18;1.08;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1_SC5";;;;;;;0.81;;-5.38;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM394180;MM394180;C=CC=C1COC(=NN)N1;OZSPRHGZYGMUID-UHFFFAOYSA-N;139.16;-0.09;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP2_SP1";;;;;;;-1.06;;-3.82;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM394181;MM394181;C=C(C(C)=O)C1CC1OC;QJCWDUSDADVWTJ-UHFFFAOYSA-N;140.18;1.17;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNa_Na";;;;;;;0.87;;-2.22;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM394182;MM394182;N=CN(CC=NO)C(N)=O;XVHBXQXVYWNGSG-UHFFFAOYSA-N;144.13;-0.57;;;;;DOPC;MDCG;27;0;"MARTINI bead: P3_P1";;;;;;;-1.93;;-4.72;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM394183;MM394183;C=C(C(=N)N)C1CC1OC;MTRUIYAVHVGUEJ-UHFFFAOYSA-N;140.19;0.51;;;;;DOPC;MDCG;27;1;"MARTINI bead: SNa_P1";;;;;;;0.04;;-7.37;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM394184;MM394184;C#CC=C1COC(=NN)N1;SFPHLMUMINJDIF-UHFFFAOYSA-N;137.14;-0.65;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP2_SP1";;;;;;;-1.06;;-3.82;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM394185;MM394185;C=C(CCC)C(C)(C)O;AASUBKLZJCHSNT-UHFFFAOYSA-N;128.22;2.11;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1_Nda";;;;;;;2.91;;0.57;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM394186;MM394186;NC(=O)N(C=O)CC=NO;CQEQRVODAAWALN-UHFFFAOYSA-N;145.12;-1.02;;;;;DOPC;MDCG;27;0;"MARTINI bead: P4_P1";;;;;;;-2.01;;-5.13;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM394187;MM394187;C=C(C)C(=C)C1OC1CC;FZCQJEVTVZBPSQ-UHFFFAOYSA-N;138.21;2.3;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNa_C3";;;;;;;2.57;;0.45;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM394188;MM394188;C=NN(CC=CC)C(C)=N;AFUXVOBCXZFHSV-UHFFFAOYSA-N;139.2;1.48;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4_P2";;;;;;;1.09;;-0.37;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM394189;MM394189;C=C(C)C(=C)C1OC1CN;KZSOJPBMKWDPMD-UHFFFAOYSA-N;139.2;0.84;;;;;DOPC;MDCG;27;1;"MARTINI bead: C3_SP2";;;;;;;1.46;;-2.01;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM394190;MM394190;C=NN(CC=CC)C(C)=O;MXJPYVQJDGSKHZ-UHFFFAOYSA-N;140.19;1.03;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4_P2";;;;;;;1.09;;-0.38;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM394191;MM394191;C=C(C)C(=C)C1CN1CC;UNVMTOFLEJDDQG-UHFFFAOYSA-N;137.23;1.82;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNd_C3";;;;;;;2.57;;0.58;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM394192;MM394192;C=NN(CC=NN)C(C)=O;JLBPWKVAOHTULM-UHFFFAOYSA-N;142.16;-0.61;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_P1";;;;;;;-1.06;;-3.82;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM394193;MM394193;C=CC1CC1C(=C)C(=C)C;VRUMHKPALABAGD-UHFFFAOYSA-N;134.22;2.94;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1_SC4";;;;;;;4.24;;0.42;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM394194;MM394194;C=NN(CC=NO)C(C)=O;QAPAHIRCBHOXJX-UHFFFAOYSA-N;143.15;-0.09;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_P1";;;;;;;-1.06;;-3.82;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM394195;MM394195;C=C(C)C(=C)C1CC1C#N;LIGICKKNJOILBM-UHFFFAOYSA-N;133.19;2.28;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1_SN0";;;;;;;3.21;;0.46;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM394196;MM394196;C=NN(CC=NO)C(=N)N;FKQCHIHXGOBYKO-UHFFFAOYSA-N;143.15;-0.74;;;;;DOPC;MDCG;27;1;"MARTINI bead: P2_P1";;;;;;;-1.06;;-6.1;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM394197;MM394197;C=C(C(C)=O)C1CC1C#N;CIGFCYOOABTKAV-UHFFFAOYSA-N;135.17;1.29;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_SN0";;;;;;;1.17;;-1.18;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM394198;MM394198;C=NN(CC=NO)C(N)=O;HAACKDLPNNPPPI-UHFFFAOYSA-N;144.13;-0.56;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_P1";;;;;;;-0.79;;-3.13;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM394199;MM394199;C=C(C(=N)N)C1CC1C#N;NGXVZAAGQQZRHH-UHFFFAOYSA-N;135.17;0.64;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1_SN0";;;;;;;0.34;;-6.41;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM394200;MM394200;C=CN(NC=NN)C(=N)N;DISPWIVXUAYQGE-UHFFFAOYSA-N;142.17;-1.27;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1_P2";;;;;;;-1.06;;-7.59;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM394201;MM394201;C=C(C)C(=O)C1CC1C#N;JURYHKWPMKCDPZ-UHFFFAOYSA-N;135.17;1.29;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_SN0";;;;;;;1.17;;-1.18;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM394202;MM394202;N=CN(NC=NN)C(=N)N;SNELYULYXFQWDU-UHFFFAOYSA-N;143.15;-1.8;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1_P4";;;;;;;-2.01;;-7.76;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM394203;MM394203;C=CC1CC1C(=O)C(C)=O;PPHKZOYBODTTTA-UHFFFAOYSA-N;138.17;0.97;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_SC4";;;;;;;2.2;;0.34;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM394204;MM394204;CCc1cn(C)c(=NN)o1;JOXIBZPCENWNHX-UHFFFAOYSA-N;141.17;-0.05;;;;;DOPC;MDCG;27;0;"MARTINI bead: SN0_SP1";;;;;;;0.34;;-1.53;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM394205;MM394205;C=CC1CC1C(=O)C(=N)N;PFCQPLJFTWOKMY-UHFFFAOYSA-N;138.17;0.31;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_SC4";;;;;;;1.09;;-0.37;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM394206;MM394206;Cn1cc(CF)oc1=NN;ZRUCPVPKTKJMAK-UHFFFAOYSA-N;145.14;-0.14;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNa_SP1";;;;;;;0.04;;-2.54;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM394207;MM394207;C=CC1NC1C(=C)C(=C)C;LNWZCQBTVRWOND-UHFFFAOYSA-N;135.21;1.65;;;;;DOPC;MDCG;27;0;"MARTINI bead: C3_SP1";;;;;;;1.74;;0.31;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM394208;MM394208;C=Cc1cn(C)c(=NN)o1;NOPNDMDTTRSSES-UHFFFAOYSA-N;139.16;0.04;;;;;DOPC;MDCG;27;0;"MARTINI bead: SN0_SP1";;;;;;;0.34;;-1.53;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM394209;MM394209;C=C(C)C(=C)C1NC1C#N;DEJYPLIHAUAGPN-UHFFFAOYSA-N;134.18;0.98;;;;;DOPC;MDCG;27;0;"MARTINI bead: C3_SP2";;;;;;;1.46;;-0.15;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM394210;MM394210;Cn1nc(N)nnc1=NN;XOISWFFZPFNACE-UHFFFAOYSA-N;141.14;-2.43;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP2_SP3";;;;;;;-2.2;;-5.19;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM394211;MM394211;C=C(C)C(=C)C1OC1C=O;LBTZVJWQNHTNGN-UHFFFAOYSA-N;138.17;1.09;;;;;DOPC;MDCG;27;0;"MARTINI bead: C3_SP2";;;;;;;1.46;;-0.15;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM394212;MM394212;NC(=O)N(C=O)N=CNO;OYFVKOVDGVRKIB-UHFFFAOYSA-N;146.11;-1.55;;;;;DOPC;MDCG;27;0;"MARTINI bead: P4_P3";;;;;;;-3.15;;-6.87;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM394213;MM394213;C=C(C(=N)N)C1OC1C=O;AEAFDGZXHKGYMV-UHFFFAOYSA-N;140.14;-0.56;;;;;DOPC;MDCG;27;1;"MARTINI bead: P2_SP2";;;;;;;-1.34;;-8.66;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM394214;MM394214;C=CN(OC=NN)C(=N)N;LGWNKPIGWMDDFZ-UHFFFAOYSA-N;143.15;-0.84;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1_P2";;;;;;;-1.06;;-6.16;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM394215;MM394215;C=C(C)C(=O)C1OC1C=O;OWYFUWKBMKXNQS-UHFFFAOYSA-N;140.14;0.1;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_SP2";;;;;;;-0.24;;-3.24;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM394216;MM394216;N=CN(OC=NO)C(=N)N;MWKGPEWFLSUNJJ-UHFFFAOYSA-N;145.12;-0.86;;;;;DOPC;MDCG;27;1;"MARTINI bead: P4_P1";;;;;;;-2.01;;-6.22;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM394217;MM394217;C=C(C)C(=C)C1CN1C=N;ZSLQVXUJFXMBEW-UHFFFAOYSA-N;136.2;1.41;;;;;DOPC;MDCG;27;1;"MARTINI bead: C3_SP2";;;;;;;1.46;;-2.55;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM394218;MM394218;C#CC1=C(C)CC(O)CC1;ZHCXBHCTCJXDLR-UHFFFAOYSA-N;136.19;1.48;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC4_SNda";;;;;;;2.2;;0.49;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM394219;MM394219;C=C(C)C(=C)C1CN1C=O;TVKGAVXTLIYGHZ-UHFFFAOYSA-N;137.18;0.96;;;;;DOPC;MDCG;27;0;"MARTINI bead: C3_SP2";;;;;;;1.46;;-0.15;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM394220;MM394220;NC(=O)N(C=O)OC=NO;UIBCNUKWXVHRII-UHFFFAOYSA-N;147.09;-1.13;;;;;DOPC;MDCG;27;0;"MARTINI bead: P3_P1";;;;;;;-1.93;;-4.72;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM394221;MM394221;C=C(C(C)=O)C1CN1C=N;AUAOVCIEPUNJJA-UHFFFAOYSA-N;138.17;0.42;;;;;DOPC;MDCG;27;1;"MARTINI bead: Na_SP2";;;;;;;-0.24;;-5.7;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM394222;MM394222;C#CC(CC=CF)C(=C)C;MRPNCEQMINACCP-UHFFFAOYSA-N;138.19;2.69;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4_C4";;;;;;;3.53;;0.53;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM394223;MM394223;CCC=C(C)C(C)(C)O;ODKSTFWIZVYGLI-UHFFFAOYSA-N;128.22;2.11;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1_Nda";;;;;;;2.91;;0.57;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM394224;MM394224;C#CC(CC=CC)C(C)=O;IADQXORVYIBFRS-UHFFFAOYSA-N;136.19;1.79;;;;;DOPC;MDCG;27;0;"MARTINI bead: C2_Na";;;;;;;2.83;;0.35;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM394225;MM394225;C=C(C(=N)N)C1CN1C=N;QCXWVRBJKSGYOE-UHFFFAOYSA-N;138.17;-0.23;;;;;DOPC;MDCG;27;1;"MARTINI bead: P2_SP2";;;;;;;-1.34;;-8.82;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM394226;MM394226;C#CC(CC=CF)C(C)=O;VOMQSSPETQLUJW-UHFFFAOYSA-N;140.16;1.7;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_C5";;;;;;;1.64;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM394227;MM394227;C=C(C)C(=O)C1CN1C=N;AXNXYGGONTUJSH-UHFFFAOYSA-N;138.17;0.42;;;;;DOPC;MDCG;27;1;"MARTINI bead: Na_SP2";;;;;;;-0.24;;-4.79;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM394228;MM394228;C#CC(CC=CF)C(N)=O;QCKUBXSAJVDFAO-UHFFFAOYSA-N;141.15;0.59;;;;;DOPC;MDCG;27;0;"MARTINI bead: P3_C4";;;;;;;0.23;;-1.03;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM394229;MM394229;CC(=O)ON(C)C=NN;HCZMNXSLZMMVGE-UHFFFAOYSA-N;131.14;-0.7;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_Na";;;;;;;-0.24;;-3.24;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM394230;MM394230;C#CC(CC=CC)C(=O)O;RLYPGNWTCQMQNZ-UHFFFAOYSA-N;138.17;1.29;;;;;DOPC;MDCG;27;-1;"MARTINI bead: C1_P1";;;;;;;2.08;;-1.38;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM394231;MM394231;CC(=O)C(=O)C1CN1C=N;JXVCRSQAPLELHY-UHFFFAOYSA-N;140.14;-0.56;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1_SP2";;;;;;;-1.06;;-5.29;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM394232;MM394232;C#CC(CC=NN)C(=C)C;UHKLIAJPVPTUFJ-UHFFFAOYSA-N;136.2;1.15;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4_Nd";;;;;;;2.2;;0.32;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM394233;MM394233;CC(=O)C(=O)C1CN1C=O;ZVQJAIYYJVOSAN-UHFFFAOYSA-N;141.13;-1.01;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_SP2";;;;;;;-1.06;;-3.82;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM394234;MM394234;C#CC(CC=NO)C(=C)C;WZBRJALATKGDDM-UHFFFAOYSA-N;137.18;1.66;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4_P1";;;;;;;1.37;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM394235;MM394235;C=NN1CC1C(=C)C(=C)C;VGVBPVFCHLJFND-UHFFFAOYSA-N;136.2;1.42;;;;;DOPC;MDCG;27;0;"MARTINI bead: C3_SP2";;;;;;;1.46;;-0.15;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM394236;MM394236;CCC12CC1OC(=NN)N2;UOLWREYXSXIYTP-UHFFFAOYSA-N;141.17;-0.24;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC3_SP2";;;;;;;1.46;;-0.15;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM394237;MM394237;C=C1CC2(C)CC1(O)C2;RBIKDZKTRXYREN-UHFFFAOYSA-N;124.18;1.48;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC3_SNda";;;;;;;2.57;;0.44;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM394238;MM394238;CCC12CC1NC(=NN)O2;FPGZJQYCLSRIKL-UHFFFAOYSA-N;141.17;-0.24;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC3_SP2";;;;;;;1.46;;-0.15;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM394239;MM394239;C=NN1CC1C(=C)C(=N)N;INHMZYZULBHEKL-UHFFFAOYSA-N;138.17;-0.22;;;;;DOPC;MDCG;27;1;"MARTINI bead: P2_SP2";;;;;;;-1.34;;-8.8;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM394240;MM394240;Oc1cnc2c(O)o[nH]c1-2;YZSBUUNHGNHOLC-UHFFFAOYSA-N;140.1;0.52;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNda_SNda";;;;;;;0.87;;-6.15;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM394241;MM394241;COC=NN(C)C=NN;GBWCUPVHBKFRRJ-UHFFFAOYSA-N;130.15;-0.59;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_P1";;;;;;;-0.79;;-3.13;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM394242;MM394242;C=CC12CC1OC(=NN)N2;GVJQYAIGCCQXCK-UHFFFAOYSA-N;139.16;-0.47;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP2_SP1";;;;;;;-1.06;;-3.82;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM394243;MM394243;N=CN=CN(N)C=NN;JGTQEMIEKNALRH-UHFFFAOYSA-N;128.14;-1.3;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_P5";;;;;;;-1.94;;-5.95;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM394244;MM394244;C#CC(OC=CC)C(=N)N;MILGQMRCZNMNNT-UHFFFAOYSA-N;138.17;0.47;;;;;DOPC;MDCG;27;1;"MARTINI bead: C4_P3";;;;;;;0.23;;-3.14;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM394245;MM394245;C#CC1CC1C(=C)C(=C)C;GWIOKJMYDNXECK-UHFFFAOYSA-N;132.21;2.39;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1_SC5";;;;;;;3.68;;0.46;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM394246;MM394246;C#CC(OC=CC)C(N)=O;NXNYPAVIBHPIJZ-UHFFFAOYSA-N;139.15;0.02;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4_P3";;;;;;;0.23;;-1.03;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM394247;MM394247;C#CC1CC1C(=O)C(C)=O;QJGQZDNWIXAOOK-UHFFFAOYSA-N;136.15;0.41;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_SC5";;;;;;;1.64;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM394248;MM394248;C#CC(OC=NN)C(=N)N;ITMZBTJIBRLREL-UHFFFAOYSA-N;140.15;-1.16;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nda_P3";;;;;;;-1.1;;-5.36;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM394249;MM394249;C#CC1CC1C(=O)C(=N)N;JPOKIWRIAQCZPU-UHFFFAOYSA-N;136.15;-0.24;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_SC5";;;;;;;0.54;;-1.09;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM394250;MM394250;C#CC(OC=NO)C(=N)N;YFOHDJJOMODNDN-UHFFFAOYSA-N;141.13;-0.64;;;;;DOPC;MDCG;27;1;"MARTINI bead: P3_Nda";;;;;;;-1.1;;-5.85;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM394251;MM394251;C#CC1NC1C(=C)C(=C)C;BOSLCZAXRYDFEP-UHFFFAOYSA-N;133.19;1.09;;;;;DOPC;MDCG;27;0;"MARTINI bead: C3_SP3";;;;;;;0.6;;-0.8;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM394252;MM394252;C=CC12CC1NC(=NN)O2;SYWQTQFWBJQHCX-UHFFFAOYSA-N;139.16;-0.47;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP2_SP1";;;;;;;-1.06;;-3.82;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM394253;MM394253;C#CC1OC1C(=C)C(=C)C;ISGCKLMQLNWGFV-UHFFFAOYSA-N;134.18;1.52;;;;;DOPC;MDCG;27;0;"MARTINI bead: C3_SNa";;;;;;;2.57;;0.45;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM394254;MM394254;C#CC(OC=NO)C(N)=O;RIZPWCCAJFTLSI-UHFFFAOYSA-N;142.11;-1.09;;;;;DOPC;MDCG;27;0;"MARTINI bead: P3_Nda";;;;;;;-1.1;;-3.97;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM394255;MM394255;C#CC1OC1C(=C)C(C)=O;RRYGMMKGIJRFOU-UHFFFAOYSA-N;136.15;0.53;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_SNa";;;;;;;0.87;;-2.22;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM394256;MM394256;CC#CCC(CN)C(C)C;ZWFFCJQJAVPEBW-UHFFFAOYSA-N;139.24;1.63;;;;;DOPC;MDCG;27;1;"MARTINI bead: C4_C5";;;;;;;2.97;;-0.04;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM394257;MM394257;C#CC1OC1C(=C)C(=N)N;NVAYYGFQYKQESV-UHFFFAOYSA-N;136.15;-0.12;;;;;DOPC;MDCG;27;1;"MARTINI bead: P2_SNa";;;;;;;-0.24;;-7.57;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM394258;MM394258;CC#CCC(NC)C(C)C;ROUKACJVGIADJG-UHFFFAOYSA-N;139.24;1.64;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_C4";;;;;;;2.2;;-2.36;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM394259;MM394259;C#CC1OC1C(=O)C(=C)C;VGHHNUKJYNOWNV-UHFFFAOYSA-N;136.15;0.53;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_SNa";;;;;;;0.87;;-2.22;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM394260;MM394260;C=CC(CC#CC)C(C)N;LCFKGLNORRTDTK-UHFFFAOYSA-N;137.23;1.55;;;;;DOPC;MDCG;27;1;"MARTINI bead: C4_Nd";;;;;;;2.2;;-2.4;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM394261;MM394261;CCC1CC1C(C)=C(C)F;PYSYZRIPFSZBKZ-UHFFFAOYSA-N;142.22;3.3;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC3_C3";;;;;;;4.27;;0.2;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM394262;MM394262;C=CC(CC#CC)C(C)F;MKGNHCIVHAXODE-UHFFFAOYSA-N;140.2;2.56;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4_C3";;;;;;;3.9;;0.47;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM394263;MM394263;COC1CC1C(C)=C(C)F;LJXBDBOBUVBIKI-UHFFFAOYSA-N;144.19;2.28;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNa_C3";;;;;;;2.57;;0.45;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM394264;MM394264;C=CC(CC#CC)C(F)F;QVMVIFLRDLTYLD-UHFFFAOYSA-N;144.16;2.47;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4_C5";;;;;;;2.97;;0.45;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM394265;MM394265;CC(C)=C(C)C1NC1CN;VUHOIRLKNJSQEQ-UHFFFAOYSA-N;140.23;0.64;;;;;DOPC;MDCG;27;1;"MARTINI bead: C1_SP2";;;;;;;1.8;;-0.84;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM394266;MM394266;C=NN(CC#CC)C(C)C;GRAVMHPHEUAVRS-UHFFFAOYSA-N;138.21;1.34;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4_P1";;;;;;;1.37;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM394267;MM394267;CCC1OC1C(C)=C(C)C;DHEHVHXXSPEZOG-UHFFFAOYSA-N;140.23;2.52;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNa_C1";;;;;;;2.91;;0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM394268;MM394268;CC#CCC(CO)C(C)=O;HTRXINSEOJTAHS-UHFFFAOYSA-N;140.18;0.6;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4_P2";;;;;;;1.09;;-0.38;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM394269;MM394269;C=C(C)C(CC#CC)NC;RLYSJUDIACCNKD-UHFFFAOYSA-N;137.23;1.56;;;;;DOPC;MDCG;27;1;"MARTINI bead: C4_Nd";;;;;;;2.2;;-1.54;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM394270;MM394270;CCC1OC1C(C)=C(F)F;CCYQZONXVIHPMZ-UHFFFAOYSA-N;148.15;2.33;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNa_C4";;;;;;;2.2;;0.34;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM394271;MM394271;CC#CCN(CC)C(C)=O;ATLFKEDTCVSUPU-UHFFFAOYSA-N;139.2;0.88;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_C4";;;;;;;1.37;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM394272;MM394272;C=CC1CC1C(C)=C(C)C;HMNVDTHQSXUTNO-UHFFFAOYSA-N;136.24;3.16;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1_SC4";;;;;;;4.24;;0.42;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM394273;MM394273;CC#CCN(NC)C(C)=N;KKVRZJRWLQDWNW-UHFFFAOYSA-N;139.2;0.44;;;;;DOPC;MDCG;27;1;"MARTINI bead: P4_C4";;;;;;;0.15;;-3.93;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM394274;MM394274;CC(C)=C(C)C1CC1C#N;CXTCTOLJPKJVHE-UHFFFAOYSA-N;135.21;2.5;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1_SN0";;;;;;;3.21;;0.46;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM394275;MM394275;CC#CCN(OC)C(=N)N;KDOQGSKPYZUGBK-UHFFFAOYSA-N;141.17;-0.23;;;;;DOPC;MDCG;27;1;"MARTINI bead: C4_P3";;;;;;;0.23;;-3.24;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM394276;MM394276;C=CC1NC1C(C)=C(C)F;UIGMIIWERDJUJQ-UHFFFAOYSA-N;141.19;1.78;;;;;DOPC;MDCG;27;0;"MARTINI bead: C3_SP1";;;;;;;1.74;;0.3;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM394277;MM394277;CC#CCN(OC)C(N)=O;DBBYGMRZGAOUOA-UHFFFAOYSA-N;142.16;-0.05;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4_P3";;;;;;;0.23;;-1.03;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM394278;MM394278;C=CCCC(C)C(C)O;ZEWJFQRAPALZPS-UHFFFAOYSA-N;128.22;1.97;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_C1";;;;;;;2.08;;0.48;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM394279;MM394279;C=C(C)C(C=O)CC#CC;PVYHKXUTQBVPRN-UHFFFAOYSA-N;136.19;1.79;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4_Na";;;;;;;2.2;;0.34;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM394280;MM394280;CC(C)=C(C)C1CN1C=N;AKMYITMQSZLIFU-UHFFFAOYSA-N;138.21;1.63;;;;;DOPC;MDCG;27;1;"MARTINI bead: C1_SP2";;;;;;;1.8;;-1.51;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM394281;MM394281;C=CC(CC#CC)C(C)=O;IQGREEAAVFLLNJ-UHFFFAOYSA-N;136.19;1.79;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4_Na";;;;;;;2.2;;0.34;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM394282;MM394282;CC(C)=C(C)C1CN1C=O;QLWRXOKQQYYPFI-UHFFFAOYSA-N;139.2;1.18;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1_SP2";;;;;;;1.8;;0.4;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM394283;MM394283;C=CC(CC#CC)C(=N)N;OIFGLHRYTYIFIJ-UHFFFAOYSA-N;136.2;1.14;;;;;DOPC;MDCG;27;1;"MARTINI bead: C4_P1";;;;;;;1.37;;-4.51;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM394284;MM394284;CC(F)=C(C)C1CN1C=N;FOBDBQGLTZDYCR-UHFFFAOYSA-N;142.18;1.54;;;;;DOPC;MDCG;27;1;"MARTINI bead: C3_SP2";;;;;;;1.46;;-2.59;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM394285;MM394285;CC#CCC(C=O)C(N)=O;DHIAUNWCLNSQFN-UHFFFAOYSA-N;139.15;-0.3;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4_P3";;;;;;;0.23;;-1.03;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM394286;MM394286;CC(F)=C(C)C1CN1C=O;AEEPQQLIWPTGBS-UHFFFAOYSA-N;143.16;1.09;;;;;DOPC;MDCG;27;0;"MARTINI bead: C3_SP2";;;;;;;1.46;;-0.15;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM394287;MM394287;CC#CCC(C#N)C(N)=O;VWWBYWAGBHHAQT-UHFFFAOYSA-N;136.15;0.02;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4_P3";;;;;;;0.23;;-1.03;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM394288;MM394288;C=NN1CC1C(C)=C(C)C;MJKBBVDIDBAIGV-UHFFFAOYSA-N;138.21;1.64;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1_SP2";;;;;;;1.8;;0.4;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM394289;MM394289;CC#CCN(C=O)C(C)=N;SGSUBGVHAACSGU-UHFFFAOYSA-N;138.17;0.47;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4_P3";;;;;;;0.23;;-1.03;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM394290;MM394290;C=NN1CC1C(C)=C(C)F;QXGBWCSUJREHJD-UHFFFAOYSA-N;142.18;1.55;;;;;DOPC;MDCG;27;0;"MARTINI bead: C3_SP2";;;;;;;1.46;;-0.15;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM394291;MM394291;C=CN(CC#CC)C(C)=O;ASVWSUVPNFVPAX-UHFFFAOYSA-N;137.18;1;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4_P1";;;;;;;1.37;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM394292;MM394292;C#CC1CC1C(F)=C(C)F;SJCDYLGKUMZVET-UHFFFAOYSA-N;142.15;2.43;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_SC5";;;;;;;2.41;;0.64;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM394293;MM394293;C=CN(CC#CC)C(N)=O;HMXWCICDILKEBB-UHFFFAOYSA-N;138.17;0.53;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4_P3";;;;;;;0.23;;-1.03;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM394294;MM394294;C#CC1NC1C(C)=C(C)F;ZATBYBRHOPRPHF-UHFFFAOYSA-N;139.17;1.22;;;;;DOPC;MDCG;27;0;"MARTINI bead: C3_SP3";;;;;;;0.6;;-0.8;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM394295;MM394295;C=NN(CC#CC)C(C)=N;WVIIVHNEVMIUTP-UHFFFAOYSA-N;137.19;0.92;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4_P1";;;;;;;1.37;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM394296;MM394296;C#CC1NC1C(C)=C(F)F;CDKCKQIEGYTJQT-UHFFFAOYSA-N;143.14;1.13;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP3_C4";;;;;;;0.23;;-1.03;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM394297;MM394297;C=NN(CC#CC)C(C)=O;IPVSLVDLQVMZOS-UHFFFAOYSA-N;138.17;0.47;;;;;DOPC;MDCG;27;0;"MARTINI bead: N0_Na";;;;;;;1.17;;-1.18;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM394298;MM394298;CCN(C)N=c1occo1;TZAHLDMWDZHGNP-UHFFFAOYSA-N;142.16;0.64;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_SP2";;;;;;;-1.06;;-3.82;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM394299;MM394299;C#CC(CC#CC)C(=C)C;WLCXEUACSSSIIL-UHFFFAOYSA-N;132.21;2.23;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4_C4";;;;;;;3.53;;0.53;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM394300;MM394300;CCN(C)N=c1ocno1;OXRQNAGRQARVCK-UHFFFAOYSA-N;143.15;0.04;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_SP2";;;;;;;-1.06;;-3.82;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM394301;MM394301;CC(C)C(=CF)CCCN;QCXJADCECKPRCO-UHFFFAOYSA-N;145.22;2.23;;;;;DOPC;MDCG;27;1;"MARTINI bead: C1_P1";;;;;;;2.08;;-1.17;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM394302;MM394302;CCN(C)N=c1onno1;OYNNNBIQRGEJAN-UHFFFAOYSA-N;144.13;-0.57;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_SP1";;;;;;;-0.79;;-3.13;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM394303;MM394303;C#CC12CC1OC(=NN)N2;UUMPHLNGVOHMER-UHFFFAOYSA-N;137.14;-1.02;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP2_SP2";;;;;;;-1.34;;-4.31;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM394304;MM394304;CN(C=N)N=c1occo1;LDOROFFIBZHFAX-UHFFFAOYSA-N;141.13;0.23;;;;;DOPC;MDCG;27;0;"MARTINI bead: P3_SP2";;;;;;;-2.2;;-5.19;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM394305;MM394305;CC(C)C(=CF)CCCF;OKYLFAXEZAMBDU-UHFFFAOYSA-N;148.2;3.25;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1_C5";;;;;;;3.68;;0.46;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM394306;MM394306;CN(C=O)N=c1occo1;NYIIMFDILDOGNN-UHFFFAOYSA-N;142.11;-0.22;;;;;DOPC;MDCG;27;0;"MARTINI bead: P3_SP2";;;;;;;-2.2;;-5.19;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM394307;MM394307;CC=C(CCCN)C(C)N;LLPQNZFEGDSLIF-UHFFFAOYSA-N;142.25;1.02;;;;;DOPC;MDCG;27;1;"MARTINI bead: C5_P1";;;;;;;0.81;;-3.43;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM394308;MM394308;CN(C=O)N=c1ocno1;FJCQSXKNNJSOCL-UHFFFAOYSA-N;143.1;-0.83;;;;;DOPC;MDCG;27;0;"MARTINI bead: P3_SP2";;;;;;;-2.2;;-5.19;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM394309;MM394309;CC(N)C(=CF)CCCF;UNXYWAJWNHIMOG-UHFFFAOYSA-N;149.18;1.94;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nda_Na";;;;;;;0.87;;-4.4;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM394310;MM394310;CN(C=N)N=c1onno1;VXKYTEPBPBPCJD-UHFFFAOYSA-N;143.11;-0.98;;;;;DOPC;MDCG;27;0;"MARTINI bead: P3_SP1";;;;;;;-1.93;;-4.72;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM394311;MM394311;C#CC12CC1NC(=NN)O2;ZSTLSWSXHJEDLV-UHFFFAOYSA-N;137.14;-1.02;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP2_SP2";;;;;;;-1.34;;-4.31;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM394312;MM394312;CN(C=O)N=c1onno1;WWJAPABKRIGIJE-UHFFFAOYSA-N;144.09;-1.43;;;;;DOPC;MDCG;27;0;"MARTINI bead: P3_SP1";;;;;;;-1.93;;-4.72;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM394313;MM394313;CC=C(CCCN)C(C)F;ISQIGKKORHBRJW-UHFFFAOYSA-N;145.22;2.03;;;;;DOPC;MDCG;27;1;"MARTINI bead: C1_P1";;;;;;;2.08;;-1.17;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM394314;MM394314;CCC(C)C1CC1C(C)C;JSYWIKQVYXEKMF-UHFFFAOYSA-N;140.27;3.32;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1_SC4";;;;;;;4.24;;0.42;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM394315;MM394315;COC=CCNN=CC=O;OMNIVFMAJWUSPH-UHFFFAOYSA-N;142.16;-0.08;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_P1";;;;;;;0.81;;-0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM394316;MM394316;CC(C)C1CC1C(C)CN;CVEDJKWCHBVFJK-UHFFFAOYSA-N;141.26;1.87;;;;;DOPC;MDCG;27;1;"MARTINI bead: SC4_Nd";;;;;;;2.2;;-2.23;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM394317;MM394317;CC=C(CCCF)C(C)F;GGIRZBNFEYQJML-UHFFFAOYSA-N;148.2;3.04;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1_C5";;;;;;;3.68;;0.46;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM394318;MM394318;C=CC1CC1(O)C(=C)C;ASSNLDRZXVKFBZ-UHFFFAOYSA-N;124.18;1.5;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNda_C4";;;;;;;2.2;;0.49;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM394319;MM394319;CC(F)C(=CF)CCCN;ZIGGFMJNMADLHS-UHFFFAOYSA-N;149.18;1.94;;;;;DOPC;MDCG;27;1;"MARTINI bead: C4_P1";;;;;;;1.37;;-2.72;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM394320;MM394320;CC(C)C1CC1C(C)CF;PEEROKJISSMDLF-UHFFFAOYSA-N;144.23;2.88;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC4_C4";;;;;;;3.53;;0.53;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM394321;MM394321;CC(F)C(=CF)CCCF;DFAVNJVMBQOTPB-UHFFFAOYSA-N;152.16;2.95;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4_C5";;;;;;;2.97;;0.45;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM394322;MM394322;CC(C)C1CC1C(N)CO;SIIJHZVNJJTTAU-UHFFFAOYSA-N;143.23;0.6;;;;;DOPC;MDCG;27;1;"MARTINI bead: SC4_P3";;;;;;;0.23;;-3.46;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM394323;MM394323;CC=C(CCCN)C(F)F;MWQSWEBNQHLPIY-UHFFFAOYSA-N;149.18;1.94;;;;;DOPC;MDCG;27;1;"MARTINI bead: C3_P1";;;;;;;1.74;;-2.11;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM394324;MM394324;C=CCCCC(O)CC;TVNHCNIXIDWVRO-UHFFFAOYSA-N;128.22;2.11;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda_C1";;;;;;;2.91;;0.57;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM394325;MM394325;CC=C(CCCF)C(F)F;CZIJANAOAGFMDO-UHFFFAOYSA-N;152.16;2.95;;;;;DOPC;MDCG;27;0;"MARTINI bead: C3_C5";;;;;;;3.34;;0.48;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM394326;MM394326;CC(C)C1CC1C(O)CN;MRROYPZNUHIEIU-UHFFFAOYSA-N;143.23;0.6;;;;;DOPC;MDCG;27;1;"MARTINI bead: SC4_P3";;;;;;;0.23;;-3.18;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM394327;MM394327;CC=C(CCNC)C(C)C;RXAZGXUXDTYJCQ-UHFFFAOYSA-N;141.26;2.2;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1_C1";;;;;;;2.08;;-1.4;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM394328;MM394328;CC(C)C1CC1C(F)CN;AERFOOZXUQVHPQ-UHFFFAOYSA-N;145.22;1.58;;;;;DOPC;MDCG;27;1;"MARTINI bead: SC4_P2";;;;;;;1.09;;-1.85;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM394329;MM394329;CNCCC(=CF)C(C)C;JZWUEKKUEZKEEX-UHFFFAOYSA-N;145.22;2.11;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1_C1";;;;;;;2.08;;-1.39;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM394330;MM394330;CC(C)C1CC1C(F)CO;SHJSOFSJJWGVNW-UHFFFAOYSA-N;146.21;1.61;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC4_P2";;;;;;;1.09;;-0.38;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM394331;MM394331;CC=C(CCNC)C(C)N;KQGCSUJOTWESKL-UHFFFAOYSA-N;142.25;0.89;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1_C5";;;;;;;0.81;;-3.61;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM394332;MM394332;CN(C)C1CC1C(O)CN;APZGMPDMRZEONW-UHFFFAOYSA-N;144.22;-0.74;;;;;DOPC;MDCG;27;1;"MARTINI bead: SNd_P3";;;;;;;-1.1;;-6.17;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM394333;MM394333;CC=C(CCNC)C(C)F;NGIKGRWNNYQMEZ-UHFFFAOYSA-N;145.22;1.9;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1_C1";;;;;;;2.08;;-1.39;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM394334;MM394334;CC(CN)C1CN1C(C)C;OVZKHNMLOXJNBM-UHFFFAOYSA-N;142.25;0.67;;;;;DOPC;MDCG;27;1;"MARTINI bead: SNd_Nd";;;;;;;0.87;;-4.59;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM394335;MM394335;CNCCC(=CF)C(C)F;VBFYBGNVFPZSAN-UHFFFAOYSA-N;149.18;1.81;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1_C4";;;;;;;1.37;;-2.95;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM394336;MM394336;CC(C)C1CC1C(C)C#N;BZRVSPOUEPDZRT-UHFFFAOYSA-N;137.23;2.44;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC4_P1";;;;;;;1.37;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM394337;MM394337;CC=C(CCNC)C(F)F;FETDTAXCWRABNP-UHFFFAOYSA-N;149.18;1.81;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1_C3";;;;;;;1.74;;-2.34;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM394338;MM394338;C=CC(N)C1CC1C(C)C;CVVCPDBJXLAXIN-UHFFFAOYSA-N;139.24;1.79;;;;;DOPC;MDCG;27;1;"MARTINI bead: SC4_P1";;;;;;;1.37;;-2.45;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM394339;MM394339;CCCCC(=NN)C(C)C;NSWLLOVSULUWRT-UHFFFAOYSA-N;142.25;2.15;;;;;DOPC;MDCG;27;0;"MARTINI bead: C3_C5";;;;;;;3.34;;0.48;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM394340;MM394340;C=CC(F)C1CC1C(C)C;QHHAESJDMRKBSG-UHFFFAOYSA-N;142.22;2.8;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC4_Na";;;;;;;2.2;;0.34;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM394341;MM394341;CC(C)C(CCCF)=NN;MJIHDWKIEWEUJK-UHFFFAOYSA-N;146.21;1.71;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_C5";;;;;;;2.41;;0.64;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM394342;MM394342;CC(C)C1CC1C(F)C=O;XRJVHWLNGYQALF-UHFFFAOYSA-N;144.19;1.82;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC4_P2";;;;;;;1.09;;-0.38;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM394343;MM394343;CCCCC(=NO)C(C)C;SYBMIVPIOCFGJT-UHFFFAOYSA-N;143.23;2.66;;;;;DOPC;MDCG;27;0;"MARTINI bead: C3_C5";;;;;;;3.34;;0.48;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM394344;MM394344;C=CC(C)C1CC1N(C)C;SUUXONWQUSHVIY-UHFFFAOYSA-N;139.24;1.76;;;;;DOPC;MDCG;27;1;"MARTINI bead: C3_SNd";;;;;;;2.57;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM394345;MM394345;CC(N)C(CCCO)=NO;OOUAIZWQEKMCOY-UHFFFAOYSA-N;146.19;-0.06;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1_P1";;;;;;;-0.79;;-5.94;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM394346;MM394346;CC(C=O)C1CC1N(C)C;HFRKKPAGQKJVPJ-UHFFFAOYSA-N;141.21;0.77;;;;;DOPC;MDCG;27;1;"MARTINI bead: Na_SNd";;;;;;;0.87;;-3.26;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM394347;MM394347;CCNCC(=CF)C(C)C;XJSVFSIINXLNMD-UHFFFAOYSA-N;145.22;2.11;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_C3";;;;;;;2.57;;-0.82;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM394348;MM394348;CC(C#N)C1CC1N(C)C;IRMBYTURKSTDED-UHFFFAOYSA-N;138.21;1.1;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1_SNd";;;;;;;0.04;;-3.64;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM394349;MM394349;CC=C(CNCC)C(C)N;ZQQIZKLMXYIESI-UHFFFAOYSA-N;142.25;0.89;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_Nd";;;;;;;0.87;;-4.57;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM394350;MM394350;CC(C)C1CC1N(C)C=O;AOTJBHXVBRWZEE-UHFFFAOYSA-N;141.21;1.12;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC4_P2";;;;;;;1.09;;-0.38;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM394351;MM394351;CC=C(CNCC)C(C)O;OWRXELHNWLPVTF-UHFFFAOYSA-N;143.23;0.92;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1_C4";;;;;;;1.37;;-1.95;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM394352;MM394352;C#CC(C)C1CC1N(C)C;BBVZJYWQDAKZTE-UHFFFAOYSA-N;137.23;1.21;;;;;DOPC;MDCG;27;1;"MARTINI bead: C5_SNd";;;;;;;1.64;;-1.99;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM394353;MM394353;CC=C(CNCC)C(C)F;CXJNMUJSUFPLRD-UHFFFAOYSA-N;145.22;1.9;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_C3";;;;;;;2.57;;-0.89;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM394354;MM394354;C=C(C)C1CC1C(C)CC;VRUCYVACYHSQCL-UHFFFAOYSA-N;138.25;3.24;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1_SC4";;;;;;;4.24;;0.42;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM394355;MM394355;CCNCC(=CF)C(C)F;NTEFHLDIXJHCMK-UHFFFAOYSA-N;149.18;1.81;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_C5";;;;;;;1.64;;-1.65;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM394356;MM394356;CCNN=CC(=O)CC;IHYXSXSOLDZWRL-UHFFFAOYSA-N;128.18;0.56;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nd_Na";;;;;;;0.87;;-1.88;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM394357;MM394357;CC=C(CNCC)C(F)F;FUCLKTVLNLHFQW-UHFFFAOYSA-N;149.18;1.81;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_C4";;;;;;;2.2;;-1.16;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM394358;MM394358;C=C(C)C1CC1C(O)CO;RHMFCEQVHNUAJO-UHFFFAOYSA-N;142.2;0.55;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC4_P3";;;;;;;0.23;;-1.03;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM394359;MM394359;CCCN=C(NN)C(C)O;WIBQUTODWQWMIO-UHFFFAOYSA-N;145.21;-0.36;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_P1";;;;;;;0.04;;-4.16;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM394360;MM394360;CCC(C)C1CN1C(C)=N;ATOCZWLEJKMDIZ-UHFFFAOYSA-N;140.23;1.71;;;;;DOPC;MDCG;27;1;"MARTINI bead: C1_SP1";;;;;;;2.08;;-2.32;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM394361;MM394361;C=NOC=NNC=CC#N;MBPLQMINCBJUCO-UHFFFAOYSA-N;138.13;0.19;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_N0";;;;;;;0.34;;-1.53;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM394362;MM394362;CC(=N)N1CC1C(C)CN;GILXCRCSVQYBJG-UHFFFAOYSA-N;141.22;0.26;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_SP1";;;;;;;0.04;;-6.55;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM394363;MM394363;CC=C(OCCN)C(C)C;VSJBDTXCAWKGDZ-UHFFFAOYSA-N;143.23;1.52;;;;;DOPC;MDCG;27;1;"MARTINI bead: C4_P1";;;;;;;1.37;;-1.97;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM394364;MM394364;CC(=N)N1CC1C(C)CO;SNYXDUQQOSRBHY-UHFFFAOYSA-N;142.2;0.3;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nda_SP1";;;;;;;0.04;;-6.59;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM394365;MM394365;CCC1=CNC(=NN)OC1;GUKPMDVNNNHSQS-UHFFFAOYSA-N;141.17;0.13;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP1_SP1";;;;;;;-0.79;;-3.13;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM394366;MM394366;CC(=O)N1CC1C(C)CO;CVIYVJFOBNHOGK-UHFFFAOYSA-N;143.19;-0.15;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda_SP2";;;;;;;-0.24;;-3.31;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM394367;MM394367;COC1=CNC(=NN)OC1;LEYGHDOFJACXHI-UHFFFAOYSA-N;143.15;-0.68;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP2_SP1";;;;;;;-1.06;;-3.82;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM394368;MM394368;CCC(C)C1CN1C(=N)N;MSHBMBLYALJRNI-UHFFFAOYSA-N;141.22;0.61;;;;;DOPC;MDCG;27;1;"MARTINI bead: C1_SP2";;;;;;;1.8;;-3.34;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM394369;MM394369;COCOC(=NO)C(C)C;QBIWZAQPGPUDNM-UHFFFAOYSA-N;147.17;1.05;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_C5";;;;;;;0.54;;-1.09;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM394370;MM394370;CC(CN)C1CN1C(=N)N;OYWHVUQGPKPFAX-UHFFFAOYSA-N;142.21;-0.84;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_SP2";;;;;;;-0.24;;-7.6;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM394371;MM394371;C=CC1=CNC(=NN)OC1;CHXRAVLNYCYYOM-UHFFFAOYSA-N;139.16;-0.09;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP1_SP1";;;;;;;-0.79;;-3.13;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM394372;MM394372;CC(CO)C1CN1C(=N)N;FGZVBFANUITEHZ-UHFFFAOYSA-N;143.19;-0.81;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nda_SP2";;;;;;;-0.24;;-7.59;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM394373;MM394373;CCC12COC(=NN)N1C2;FEXYMVRWXHVVPS-UHFFFAOYSA-N;141.17;-0.29;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP1_SP2";;;;;;;-1.06;;-3.82;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM394374;MM394374;CCC(N)C1CN1C(C)=N;XVCJQJVCWWDYSH-UHFFFAOYSA-N;141.22;0.41;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_SP1";;;;;;;0.04;;-6.26;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM394375;MM394375;CN(C)C(CCCN)=NO;YWOQMTVHFYLXII-UHFFFAOYSA-N;145.21;0.07;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1_P1";;;;;;;-0.79;;-5.32;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM394376;MM394376;CC(=N)N1CC1C(N)CN;MPPVOZMUKTXLBM-UHFFFAOYSA-N;142.21;-1.05;;;;;DOPC;MDCG;27;1;"MARTINI bead: SP1_P4";;;;;;;-2.01;;-8.41;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM394377;MM394377;NN=C1NCCO1;UXDBLKOGDSGXED-UHFFFAOYSA-N;101.11;-1.16;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP2_SP2";;;;;;;-1.34;;-4.31;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM394378;MM394378;CCC(N)C1CN1C(C)=O;AVANOMFORKDVMV-UHFFFAOYSA-N;142.2;-0.05;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_SP2";;;;;;;-0.24;;-5.17;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM394379;MM394379;CN(O)C(CCCN)=NO;DNRPUFWTFHBFQN-UHFFFAOYSA-N;147.18;-0.17;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1_P1";;;;;;;-0.79;;-5.27;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM394380;MM394380;CCC(N)C1CN1C(=N)N;WSRDFVBODZUMFN-UHFFFAOYSA-N;142.21;-0.7;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_SP2";;;;;;;-0.24;;-7.48;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM394381;MM394381;CN(O)C(CCCO)=NO;RUBINXJRPTYSDT-UHFFFAOYSA-N;148.16;-0.13;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_P1";;;;;;;-0.79;;-3.13;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM394382;MM394382;CCC(O)C1CN1C(C)=N;KAZHVCALHLFFTP-UHFFFAOYSA-N;142.2;0.44;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nda_SP1";;;;;;;0.04;;-6.07;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM394383;MM394383;CNCCC(=NN)N(C)C;AWCHFJRWMLHWAG-UHFFFAOYSA-N;144.22;-0.57;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1_P1";;;;;;;-0.79;;-5.56;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM394384;MM394384;CCC(O)C1CN1C(=N)N;XMYOOBYDHQOSRZ-UHFFFAOYSA-N;143.19;-0.67;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nda_SP2";;;;;;;-0.24;;-7.14;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM394385;MM394385;CNCCC(=NN)N(C)N;GRZKPNSOVOIEMO-UHFFFAOYSA-N;145.21;-1.33;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1_P2";;;;;;;-1.06;;-5.62;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM394386;MM394386;N=C(N)N1CC1C(F)CO;SJYIIIGNPUCBEL-UHFFFAOYSA-N;147.15;-1.11;;;;;DOPC;MDCG;27;1;"MARTINI bead: SP2_P2";;;;;;;-1.34;;-8.24;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM394387;MM394387;CNCCC(=NO)N(C)N;ARWLCMFDPFRYGK-UHFFFAOYSA-N;146.19;-0.81;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1_P2";;;;;;;-1.06;;-5.57;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM394388;MM394388;CNC(C)C1CN1C(C)=N;ASPHPTZAODVHOH-UHFFFAOYSA-N;141.22;0.28;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_SP1";;;;;;;0.04;;-6.27;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM394389;MM394389;CNCCC(=NN)N(C)O;RMGGWPCZDJUVII-UHFFFAOYSA-N;146.19;-0.81;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1_P1";;;;;;;-0.79;;-4.61;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM394390;MM394390;COC(C)C1CN1C(C)=N;WUDYFCJXEKRERW-UHFFFAOYSA-N;142.2;0.7;;;;;DOPC;MDCG;27;1;"MARTINI bead: Na_SP1";;;;;;;0.04;;-5.89;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM394391;MM394391;CNCCC(=NO)N(C)O;WOWLWULZYRROEL-UHFFFAOYSA-N;147.18;-0.3;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1_P1";;;;;;;-0.79;;-4.53;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM394392;MM394392;C=CC(C)C1CC1C(=C)C;MWTXGCRFUWTUTI-UHFFFAOYSA-N;136.24;3.02;;;;;DOPC;MDCG;27;0;"MARTINI bead: C3_SC4";;;;;;;3.9;;0.47;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM394393;MM394393;O=CC1=NNCC1;IKDADRUQGDGHCW-UHFFFAOYSA-N;98.11;-0.47;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP1_SP1";;;;;;;-0.79;;-3.13;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM394394;MM394394;C=C(C)C1CC1C(O)C=O;JYQYQPXFQJFQCY-UHFFFAOYSA-N;140.18;0.76;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC4_P2";;;;;;;1.09;;-0.38;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM394395;MM394395;COCCC(=NO)N(C)O;SNMNKIVPLLZQJC-UHFFFAOYSA-N;148.16;0.13;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_P1";;;;;;;-0.79;;-3.13;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM394396;MM394396;CC(=N)N1CC1C(C)C#N;NSAYBMFVVRRCDN-UHFFFAOYSA-N;137.19;0.83;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1_SP1";;;;;;;-0.79;;-6.77;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM394397;MM394397;CCOCC(=NO)N(C)C;QCEPJSVBHUCFLY-UHFFFAOYSA-N;146.19;0.37;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda_P1";;;;;;;0.04;;-2.73;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM394398;MM394398;CC(=O)N1CC1C(C)C#N;KFRQPWSFKSIBCU-UHFFFAOYSA-N;138.17;0.38;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_SP2";;;;;;;-1.06;;-3.82;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM394399;MM394399;OC1(C2CC2)CC1;NCSLLWAWZBUTHC-UHFFFAOYSA-N;98.15;0.92;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP1_SC5";;;;;;;0.81;;-0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM394400;MM394400;CC(C#N)C1CN1C(=N)N;ORIMUOKEJZVMEU-UHFFFAOYSA-N;138.17;-0.28;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1_SP2";;;;;;;-1.06;;-7.12;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM394401;MM394401;CCOCC(=NO)N(C)O;WQRQAAUDNPULPG-UHFFFAOYSA-N;148.16;0.13;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_P2";;;;;;;-0.24;;-3.24;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM394402;MM394402;C#CC(C)C1CC1C(=C)C;CJKJTMPSQHXPNK-UHFFFAOYSA-N;134.22;2.47;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_SC4";;;;;;;2.97;;0.45;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM394403;MM394403;CN=C(NCCN)N(C)C;CLRPUNQLRSEFHS-UHFFFAOYSA-N;144.22;-0.92;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1_P1";;;;;;;-0.79;;-8.24;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM394404;MM394404;C#CC(N)C1CN1C(=N)N;TYSOXASGBKPRMJ-UHFFFAOYSA-N;138.17;-1.48;;;;;DOPC;MDCG;27;1;"MARTINI bead: P2_SP2";;;;;;;-1.34;;-8.47;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM394405;MM394405;CN=C(NCCF)N(C)C;OBAFFVHUZSKABN-UHFFFAOYSA-N;147.2;0.09;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1_C5";;;;;;;0.81;;-5.3;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM394406;MM394406;C#CC(O)C1CN1C(C)=N;IJZSQUTVFPZMOG-UHFFFAOYSA-N;138.17;-0.34;;;;;DOPC;MDCG;27;1;"MARTINI bead: SP1_P2";;;;;;;-1.06;;-6.88;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM394407;MM394407;CN(N)C(=NN)NCCF;HVHSETZHEWKOAT-UHFFFAOYSA-N;149.17;-1.42;;;;;DOPC;MDCG;27;1;"MARTINI bead: P3_C5";;;;;;;-0.33;;-4.58;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM394408;MM394408;C=C(CC)C1CC1C(C)C;VFJJZRXDQGOINF-UHFFFAOYSA-N;138.25;3.24;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1_SC4";;;;;;;4.24;;0.42;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM394409;MM394409;CCCNC(=NC)N(C)O;NCQAOPODKRTVNS-UHFFFAOYSA-N;145.21;0.29;;;;;DOPC;MDCG;27;1;"MARTINI bead: C5_P1";;;;;;;0.81;;-3.54;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM394410;MM394410;C=C(CN)C1CC1C(C)C;AOHBOSSHSAMJJW-UHFFFAOYSA-N;139.24;1.79;;;;;DOPC;MDCG;27;1;"MARTINI bead: SC4_Nd";;;;;;;2.2;;-1.67;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM394411;MM394411;CN=C(NCCN)N(C)O;MBKVBVUNKRCOES-UHFFFAOYSA-N;146.19;-1.16;;;;;DOPC;MDCG;27;1;"MARTINI bead: P2_P1";;;;;;;-1.06;;-6.7;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM394412;MM394412;C=C(CO)C1CC1C(C)C;VLBDXQLSGDLFSZ-UHFFFAOYSA-N;140.23;1.83;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC4_Nda";;;;;;;2.2;;0.49;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM394413;MM394413;CN=C(NCCO)N(C)O;ZIISKUBVVJPWCV-UHFFFAOYSA-N;147.18;-1.12;;;;;DOPC;MDCG;27;1;"MARTINI bead: P2_P1";;;;;;;-1.06;;-6.21;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM394414;MM394414;C=C(CC)C1CC1C(C)N;IPDGUKBZNNBHLX-UHFFFAOYSA-N;139.24;1.94;;;;;DOPC;MDCG;27;1;"MARTINI bead: C1_SNd";;;;;;;2.91;;-0.77;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM394415;MM394415;CC=CC(C)C(C)O;BQPWJGJNFLTCBK-UHFFFAOYSA-N;114.19;1.58;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1_P1";;;;;;;2.08;;0.48;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM394416;MM394416;N=C(CF)N(N)C=NN;OGCAXPOMQOCSGH-UHFFFAOYSA-N;133.13;-0.99;;;;;DOPC;MDCG;27;0;"MARTINI bead: P3_Na";;;;;;;-1.1;;-4.2;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM394417;MM394417;CCNNC(=NC)N(C)C;LVFOYMUFGSWEPA-UHFFFAOYSA-N;144.22;-0.35;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1_Nd";;;;;;;0.04;;-7.34;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM394418;MM394418;CCC(=O)C1CC1C(C)C;DZXDMXHEXOJBBL-UHFFFAOYSA-N;140.23;2.26;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_SC4";;;;;;;2.2;;0.34;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM394419;MM394419;CCNNC(=NN)N(C)N;VPAMAFPBUMQRRW-UHFFFAOYSA-N;146.2;-1.86;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1_P2";;;;;;;-1.06;;-6.37;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM394420;MM394420;CC(C)C1CC1C(=O)CO;UMAWHXCWOWYGDM-UHFFFAOYSA-N;142.2;0.84;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC4_P2";;;;;;;1.09;;-0.38;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM394421;MM394421;CC=CCC(O)CC;FUTQIDIPFHFSNC-UHFFFAOYSA-N;114.19;1.72;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda_C2";;;;;;;2.83;;0.57;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM394422;MM394422;C=CC(=C)C1CC1C(C)C;VCVZFNYWWPYHLR-UHFFFAOYSA-N;136.24;3.02;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC4_C3";;;;;;;3.9;;0.47;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM394423;MM394423;CN(C)C(=NO)OCCN;KJOZAGBAAJHYPX-UHFFFAOYSA-N;147.18;-0.73;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1_P2";;;;;;;-1.06;;-5.25;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM394424;MM394424;C=C(C#N)C1CC1C(C)C;XWAVJSCEUHKASP-UHFFFAOYSA-N;135.21;2.36;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC4_N0";;;;;;;2.5;;0.44;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM394425;MM394425;CN(C)C(=NO)OCCO;AQMGTLMTGVDVIQ-UHFFFAOYSA-N;148.16;-0.7;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_P1";;;;;;;-1.06;;-3.82;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM394426;MM394426;C=CC(=O)C1CC1C(C)C;YCVMMVCBQCXUGX-UHFFFAOYSA-N;138.21;2.03;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC4_Na";;;;;;;2.2;;0.34;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM394427;MM394427;C#CC(=NNC)NN;XARMHRQGJBLFGX-UHFFFAOYSA-N;112.14;-1.38;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_P2";;;;;;;-1.34;;-4.31;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM394428;MM394428;C=CC(=C)C1CC1N(C)C;JMTDGWXIYODKSN-UHFFFAOYSA-N;137.23;1.68;;;;;DOPC;MDCG;27;1;"MARTINI bead: SNd_C3";;;;;;;2.57;;-0.86;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM394429;MM394429;CC1COC(=NN)N1;WLYOQGZTAGOESC-UHFFFAOYSA-N;115.14;-0.78;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP1_SP2";;;;;;;-1.06;;-3.82;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM394430;MM394430;C=C(C#N)C1NC1C(C)C;VCFQIOAPAZGCEW-UHFFFAOYSA-N;136.2;1.06;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNd_N0";;;;;;;1.17;;-1.04;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM394431;MM394431;CN=C(OCCN)N(C)O;OUWGOJJVEITISV-UHFFFAOYSA-N;147.18;-0.73;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1_P1";;;;;;;-0.79;;-4.56;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM394432;MM394432;C#CC(=C)C1CC1C(C)C;UQZLMQPXQDPYCZ-UHFFFAOYSA-N;134.22;2.47;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC4_C5";;;;;;;2.97;;0.45;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM394433;MM394433;CC1CNC(=NN)O1;LWJYDGLMDRRIKV-UHFFFAOYSA-N;115.14;-0.78;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP1_SP2";;;;;;;-1.06;;-3.82;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM394434;MM394434;C=C(C)C1CC1C(=C)CC;VAXMMPPCCINRMF-UHFFFAOYSA-N;136.24;3.16;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1_SC4";;;;;;;4.24;;0.42;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM394435;MM394435;N=Nc1cc(N)c[nH]1;ROPIUJKYGANIEA-UHFFFAOYSA-N;110.12;1.26;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP1_SP1";;;;;;;-0.79;;-3.13;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM394436;MM394436;COC(=N)N(N)C=NN;BKOFALZYSUGDQO-UHFFFAOYSA-N;131.14;-1.35;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_P1";;;;;;;-1.06;;-3.82;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM394437;MM394437;C=Cc1c[nH]c(N)c1;LZWJTPARAZIUQQ-UHFFFAOYSA-N;108.14;1.24;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP1_SN0";;;;;;;0.34;;-1.53;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM394438;MM394438;C=C(C)C1CC1C(=C)OC;IMEFSPQRBILQRT-UHFFFAOYSA-N;138.21;2.36;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_SC4";;;;;;;2.97;;0.45;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM394439;MM394439;CN(O)C(=NO)OCCN;UWRKQKMXJIDSPD-UHFFFAOYSA-N;149.15;-0.97;;;;;DOPC;MDCG;27;1;"MARTINI bead: P2_P1";;;;;;;-1.06;;-5.23;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM394440;MM394440;C=C(CC)C1CN1C(C)=N;QPLRYSBYINITAS-UHFFFAOYSA-N;138.21;1.63;;;;;DOPC;MDCG;27;1;"MARTINI bead: C3_SP1";;;;;;;1.74;;-2.71;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM394441;MM394441;CN(O)C(=NO)OCCO;KPSPTGQWRNJGGU-UHFFFAOYSA-N;150.13;-0.94;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_P1";;;;;;;-1.06;;-3.82;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM394442;MM394442;C=C(CF)C1CN1C(C)=N;HIZWRYRBBYEJPA-UHFFFAOYSA-N;142.18;1.19;;;;;DOPC;MDCG;27;1;"MARTINI bead: SP1_Na";;;;;;;0.04;;-5.87;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM394443;MM394443;Nc1c[nH]c(CF)c1;IPLXPHJCPMKNDY-UHFFFAOYSA-N;114.12;1.07;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP1_SNda";;;;;;;0.04;;-2.73;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM394444;MM394444;CCC(=O)C1CN1C(C)=N;ASBGZQZTUHICCD-UHFFFAOYSA-N;140.19;0.65;;;;;DOPC;MDCG;27;1;"MARTINI bead: Na_SP1";;;;;;;0.04;;-4.97;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM394445;MM394445;CC(C)C(=O)C1CN1;MDLHLKFOVDIIEK-UHFFFAOYSA-N;113.16;0.18;;;;;DOPC;MDCG;27;0;"MARTINI bead: C3_SP2";;;;;;;1.46;;-0.15;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM394446;MM394446;CNC(=N)C1CN1C(C)=N;KEHQZOJXHLUNEM-UHFFFAOYSA-N;140.19;-0.14;;;;;DOPC;MDCG;27;1;"MARTINI bead: P3_SP1";;;;;;;-1.93;;-8.16;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM394447;MM394447;C#CC(C)C(C)(C)CO;DIRVORQFIRYCOU-UHFFFAOYSA-N;126.2;1.27;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_Nda";;;;;;;1.64;;0.05;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM394448;MM394448;C=C(C)C1CC1C(=C)C=O;HKHRZSDLVUPRBI-UHFFFAOYSA-N;136.19;1.95;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC4_Na";;;;;;;2.2;;0.34;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM394449;MM394449;COCOC(=NO)N(C)O;GTXOTOLNTVWRCD-UHFFFAOYSA-N;150.13;-0.33;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_P2";;;;;;;-1.06;;-3.82;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM394450;MM394450;C=C(C)C1CC1C(=C)C#N;JHMGFTCQORXXLF-UHFFFAOYSA-N;133.19;2.28;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC4_N0";;;;;;;2.5;;0.44;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM394451;MM394451;CC(O)C(=CF)CCC=O;WILANFIJNBAXFK-UHFFFAOYSA-N;146.16;1.2;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda_Na";;;;;;;0.87;;-1.99;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM394452;MM394452;C=CC(=C)C1CC1C(=N)N;NFCGPUYZFQJNSI-UHFFFAOYSA-N;136.2;1.3;;;;;DOPC;MDCG;27;1;"MARTINI bead: SP1_C3";;;;;;;1.74;;-4.26;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM394453;MM394453;CC(F)C(=CF)CCC=O;OKGPORMLSYITIF-UHFFFAOYSA-N;148.15;2.18;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_Na";;;;;;;1.64;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM394454;MM394454;C=C(C)C1CC1C(=O)C=O;BQOXGWHYXUOGTE-UHFFFAOYSA-N;138.17;0.97;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC4_P1";;;;;;;1.37;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM394455;MM394455;CC(C)C(CCC=O)=NO;BPFXOUXCQRAXKE-UHFFFAOYSA-N;143.19;1.45;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1_P3";;;;;;;0.94;;0.03;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM394456;MM394456;C=C(C#N)C1CN1C(C)=N;GTFZTSAVNRROMX-UHFFFAOYSA-N;135.17;0.75;;;;;DOPC;MDCG;27;1;"MARTINI bead: SP1_N0";;;;;;;0.34;;-4.59;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM394457;MM394457;CC(C)C(CCC#N)=NO;FVYKFKIHFAIJFH-UHFFFAOYSA-N;140.19;1.78;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_P1";;;;;;;0.81;;-0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM394458;MM394458;C=C(C#N)C1CN1C(C)=O;QBDFZLWEVRNUKE-UHFFFAOYSA-N;136.15;0.3;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP2_N0";;;;;;;0.06;;-2.21;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM394459;MM394459;CC=C(CNC=N)C(C)C;AZJAGEINBBLBFK-UHFFFAOYSA-N;140.23;1.79;;;;;DOPC;MDCG;27;1;"MARTINI bead: C1_P3";;;;;;;0.94;;-3.56;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM394460;MM394460;C=CC(=C)C1CN1C(=N)N;CQJDUUKVOPAOKK-UHFFFAOYSA-N;137.19;0.31;;;;;DOPC;MDCG;27;1;"MARTINI bead: SP2_C4";;;;;;;1.09;;-4.58;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM394461;MM394461;CC=C(CNC=O)C(C)N;NZCQVJTYJZPAEP-UHFFFAOYSA-N;142.2;0.03;;;;;DOPC;MDCG;27;1;"MARTINI bead: C5_P3";;;;;;;-0.33;;-4.03;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM394462;MM394462;C=CC(=C)C1CN1C(N)=O;XPIXVNCZBJOXGQ-UHFFFAOYSA-N;138.17;0.49;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP3_C4";;;;;;;0.23;;-1.03;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM394463;MM394463;C=CC(=C)C1CC1(C)O;CBEHBYNXSYUTKW-UHFFFAOYSA-N;124.18;1.5;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNda_C3";;;;;;;2.57;;0.44;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM394464;MM394464;C=CC(=O)C1CN1C(C)=N;AHWFFTQATPZJLO-UHFFFAOYSA-N;138.17;0.42;;;;;DOPC;MDCG;27;1;"MARTINI bead: SP1_Na";;;;;;;0.04;;-4.87;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM394465;MM394465;C=NNCC(=CF)C(C)N;ISQNJYLCDYWUHQ-UHFFFAOYSA-N;145.18;0.39;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1_Nda";;;;;;;0.04;;-4.78;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM394466;MM394466;CC(=N)N1CC1C(=O)C#N;GNVODRKVHLMLMR-UHFFFAOYSA-N;137.14;-0.24;;;;;DOPC;MDCG;27;1;"MARTINI bead: SP1_P1";;;;;;;-0.79;;-5.2;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM394467;MM394467;C=C1C=CC(C)(CO)C1;ILOIVGJWHUFZBE-UHFFFAOYSA-N;124.18;1.5;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNda_SC4";;;;;;;2.2;;0.49;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM394468;MM394468;C=CC(=O)C1CN1C(=N)N;KLDSZTVPXHDTRH-UHFFFAOYSA-N;139.16;-0.68;;;;;DOPC;MDCG;27;1;"MARTINI bead: SP2_Na";;;;;;;-0.24;;-5.8;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM394469;MM394469;CC(C)C(CNC=N)=NN;VYDHCJWIWOWXOC-UHFFFAOYSA-N;142.21;0.15;;;;;DOPC;MDCG;27;1;"MARTINI bead: C5_P3";;;;;;;-0.33;;-5.44;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM394470;MM394470;C#CC(=C)C1CC1C(=C)C;CIVVHYNYDOQYBY-UHFFFAOYSA-N;132.21;2.39;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC4_C5";;;;;;;2.97;;0.45;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM394471;MM394471;C=CC1(CC(C)O)CC1;DQOHUENDLQOTKB-UHFFFAOYSA-N;126.2;1.72;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_SC4";;;;;;;1.37;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM394472;MM394472;CC(=NO)C1CC1C(C)C;ZPLGZAXWYLIQDW-UHFFFAOYSA-N;141.21;2.13;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC4_Nda";;;;;;;2.2;;0.49;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM394473;MM394473;CC(C)C(CNC=N)=NO;JENSWCMRNFHDKY-UHFFFAOYSA-N;143.19;0.67;;;;;DOPC;MDCG;27;1;"MARTINI bead: C5_P3";;;;;;;-0.33;;-5.73;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM394474;MM394474;CC=C(C)C1CC1N(C)C;VBHIJNFFGLYUON-UHFFFAOYSA-N;139.24;1.9;;;;;DOPC;MDCG;27;1;"MARTINI bead: C1_SNd";;;;;;;2.91;;0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM394475;MM394475;CC(C)C(CNC=O)=NO;LCLQBCZOKVQKBZ-UHFFFAOYSA-N;144.17;0.22;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_P3";;;;;;;-0.33;;-2.01;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM394476;MM394476;C=C(C)C1CC1C(C)=CC;GPFSPHBALMTGGF-UHFFFAOYSA-N;136.24;3.16;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1_SC4";;;;;;;4.24;;0.42;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM394477;MM394477;CN(C)C(C=O)=CC(=O)O;QFHJCGRIALWUQB-UHFFFAOYSA-N;143.14;-0.28;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda_P1";;;;;;;0.04;;-6.78;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM394478;MM394478;CC=C(C)C1CN1C(C)=N;LFJCOSOCIPHGQH-UHFFFAOYSA-N;138.21;1.63;;;;;DOPC;MDCG;27;1;"MARTINI bead: C2_SP1";;;;;;;2;;-2;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM394479;MM394479;CC(=O)N1CC1C(C)=NN;PEEWBDQAWWPTED-UHFFFAOYSA-N;141.17;-0.45;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP2_Nd";;;;;;;-0.24;;-3.16;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM394480;MM394480;CNN=CNC=C(F)F;VVUWOUCYMSKORY-UHFFFAOYSA-N;135.12;0.48;;;;;DOPC;MDCG;27;0;"MARTINI bead: P3_C4";;;;;;;0.23;;-1.03;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM394481;MM394481;CC(=O)N1CC1C(C)=NO;LNNYUAFBPYLOBD-UHFFFAOYSA-N;142.16;0.07;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP2_P1";;;;;;;-1.06;;-3.82;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM394482;MM394482;CC(C)C(=CF)COC=O;CIZNZZXGIIOQST-UHFFFAOYSA-N;146.16;1.67;;;;;DOPC;MDCG;27;0;"MARTINI bead: C3_P1";;;;;;;1.74;;0.29;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM394483;MM394483;CC(O)C(=O)C(=O)O;QWZIITCYKKSZGN-UHFFFAOYSA-N;118.09;-0.98;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_P2";;;;;;;-1.06;;-8.26;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM394484;MM394484;C=COCC(=CF)C(C)N;ZTOSEQFBFAUAPI-UHFFFAOYSA-N;145.18;1.35;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1_C5";;;;;;;0.81;;-2.81;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM394485;MM394485;CCC(C)n1ncc(=O)o1;VNUSINPHCOZTDA-UHFFFAOYSA-N;142.16;0.81;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP2_SNa";;;;;;;-0.24;;-3.24;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM394486;MM394486;CC(C)C(COC=O)=NN;IGWZJTAHAWRGHG-UHFFFAOYSA-N;144.17;0.13;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_P1";;;;;;;0.81;;-0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM394487;MM394487;CC(CN)n1ncc(=O)o1;MFIUHYVMYRCVBH-UHFFFAOYSA-N;143.15;-0.64;;;;;DOPC;MDCG;27;1;"MARTINI bead: SP2_SP3";;;;;;;-2.2;;-7.55;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM394488;MM394488;C=CC(C#CC=O)C(=O)O;LEWVBLJKQABOHD-UHFFFAOYSA-N;138.12;0.08;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_C5";;;;;;;0.81;;-4.55;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM394489;MM394489;CC(CO)n1ncc(=O)o1;WKAZCXCEVXUEIK-UHFFFAOYSA-N;144.13;-0.61;;;;;DOPC;MDCG;27;0;"MARTINI bead: P3_SP2";;;;;;;-2.2;;-5.19;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM394490;MM394490;Cn1c(=O)[nH]n(O)c1=O;MROSLTZMOKYIJY-UHFFFAOYSA-N;131.09;-1.89;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP4_SP3";;;;;;;-3.15;;-10.18;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM394491;MM394491;CC(CF)n1ncc(=O)o1;XZIFFWZCZIHEQY-UHFFFAOYSA-N;146.12;0.37;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP2_SP1";;;;;;;-1.06;;-3.82;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM394492;MM394492;C#CCN(N)C=NNC;ASILPKFKXXSQTC-UHFFFAOYSA-N;126.16;-1.04;;;;;DOPC;MDCG;27;0;"MARTINI bead: P3_N0";;;;;;;-0.8;;-2.99;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM394493;MM394493;C=CC(C)n1ncc(=O)o1;DBIZDASBQAQVFU-UHFFFAOYSA-N;140.14;0.58;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP2_SP1";;;;;;;-1.06;;-3.82;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM394494;MM394494;CC(OC(=O)NO)C(=O)O;UXSBOAMBGMEOBF-UHFFFAOYSA-N;149.1;-0.43;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_Nda";;;;;;;-0.24;;-7.34;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM394495;MM394495;CC(C=O)n1ncc(=O)o1;HAKQZSKXEMXZGM-UHFFFAOYSA-N;142.11;-0.4;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP2_SP2";;;;;;;-1.34;;-4.31;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM394496;MM394496;CC(O)C(=NO)NCC#N;YCLKGLUQJOBHBV-UHFFFAOYSA-N;143.15;-0.73;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_P2";;;;;;;-1.06;;-3.82;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM394497;MM394497;CC(C#N)n1ncc(=O)o1;QNCGJJSOHOZVLL-UHFFFAOYSA-N;139.11;-0.08;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP2_SP1";;;;;;;-1.06;;-3.82;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM394498;MM394498;CCC=CC(C)C(C)O;RBHKMEQWVYREPZ-UHFFFAOYSA-N;128.22;1.97;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1_P1";;;;;;;2.08;;0.48;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM394499;MM394499;C#CC(C)n1ncc(=O)o1;CDQNMQYISROYPO-UHFFFAOYSA-N;138.13;0.03;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP2_SP2";;;;;;;-1.34;;-4.31;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM394500;MM394500;NN=C(NNC=O)C(F)F;OXWCRXDMIHTALD-UHFFFAOYSA-N;152.1;-1.23;;;;;DOPC;MDCG;27;0;"MARTINI bead: P4_Nd";;;;;;;-1.19;;-4.91;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM394501;MM394501;C=C(CC)n1ncc(=O)o1;FBMOCJLHXJYTSD-UHFFFAOYSA-N;140.14;0.72;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP2_SNa";;;;;;;-0.24;;-3.24;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM394502;MM394502;CN=C(NOC=O)C(C)N;MDXYUNPANNPTAO-UHFFFAOYSA-N;145.16;-0.96;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1_P2";;;;;;;-1.06;;-5.04;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM394503;MM394503;C=C(CO)n1ncc(=O)o1;RVLVQVBAUYXCDO-UHFFFAOYSA-N;142.11;-0.7;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP2_SP2";;;;;;;-1.34;;-4.31;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM394504;MM394504;CCC=CCC(O)CC;UGRZKHOGKYSHQP-UHFFFAOYSA-N;128.22;2.11;;;;;DOPC;MDCG;27;0;"MARTINI bead: C3_Nda";;;;;;;2.57;;0.44;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM394505;MM394505;CC(O)C(=CF)OCC=O;USUBPVMDPXLQDC-UHFFFAOYSA-N;148.13;0.39;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_Na";;;;;;;0.04;;-2.54;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM394506;MM394506;C=C(CF)n1ncc(=O)o1;SXPCBNUZGJNDLO-UHFFFAOYSA-N;144.11;0.28;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP2_SP1";;;;;;;-1.06;;-3.82;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM394507;MM394507;N#CCOC(=CF)C(F)F;SRNNDCATQQHRNF-UHFFFAOYSA-N;151.09;1.6;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_N0";;;;;;;1.17;;-1.18;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM394508;MM394508;C#CC(=N)N(N)C=NN;DYFNIENKNNHZAL-UHFFFAOYSA-N;125.14;-1.33;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_P2";;;;;;;-1.06;;-3.82;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM394509;MM394509;O=CNOCC(=O)O;KDIUPLRJWAJTMN-UHFFFAOYSA-N;119.08;-1.25;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_P2";;;;;;;-1.06;;-7.86;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM394510;MM394510;N=C(CF)n1ncc(=O)o1;RWJKRHUTFICBJX-UHFFFAOYSA-N;145.09;-0.37;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP2_SP2";;;;;;;-1.34;;-4.31;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM394511;MM394511;CC(O)C(=NN)ONC=O;BPPZMURBNMTZJT-UHFFFAOYSA-N;147.13;-1.68;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_P4";;;;;;;-2.01;;-5.13;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM394512;MM394512;CCC(=O)n1ncc(=O)o1;FKUSXRLOWFZTST-UHFFFAOYSA-N;142.11;-0.11;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP2_SP2";;;;;;;-1.34;;-4.31;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM394513;MM394513;CN(O)C(CCC#N)=NO;RGQOSFNSMRNRIG-UHFFFAOYSA-N;143.15;0.4;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_P1";;;;;;;-0.79;;-3.13;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM394514;MM394514;O=C(CO)n1ncc(=O)o1;JZSCXOFZMYXLQC-UHFFFAOYSA-N;144.09;-1.53;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP2_SP2";;;;;;;-1.34;;-4.31;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM394515;MM394515;CN(C)C(CNC=N)=NO;XTPMJYWSIMPEHJ-UHFFFAOYSA-N;144.18;-0.47;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1_P3";;;;;;;-1.93;;-7.66;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM394516;MM394516;O=C(CF)n1ncc(=O)o1;OUFMJXQJSBVFJD-UHFFFAOYSA-N;146.08;-0.55;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP2_SP2";;;;;;;-1.34;;-4.31;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM394517;MM394517;CCC(O)CC=CCF;UJUAGWVOWFQSTM-UHFFFAOYSA-N;132.18;1.67;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda_C4";;;;;;;2.2;;0.49;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM394518;MM394518;CNC(=O)n1ncc(=O)o1;JNMOSAUZSBOTAM-UHFFFAOYSA-N;143.1;-0.98;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP2_SP2";;;;;;;-1.34;;-4.31;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM394519;MM394519;CN(N)C(CNC=N)=NN;XBGOHAIOGUMVSY-UHFFFAOYSA-N;144.18;-1.74;;;;;DOPC;MDCG;27;1;"MARTINI bead: P2_P3";;;;;;;-2.2;;-8.28;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM394520;MM394520;NNC(=O)n1ncc(=O)o1;HNMMSOGTCMWJFO-UHFFFAOYSA-N;144.09;-1.73;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP2_SP3";;;;;;;-2.2;;-5.19;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM394521;MM394521;CN(N)C(CNC=N)=NO;YBBXWZDQCJSNQQ-UHFFFAOYSA-N;145.17;-1.22;;;;;DOPC;MDCG;27;1;"MARTINI bead: P2_P3";;;;;;;-2.2;;-8.69;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM394522;MM394522;COC(=N)n1ncc(=O)o1;WWQRGTONEKEUKK-UHFFFAOYSA-N;143.1;-0.73;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP2_SP2";;;;;;;-1.34;;-4.31;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM394523;MM394523;CNN=CNC(=N)CF;ZAJHGCOLDUWHFA-UHFFFAOYSA-N;132.14;-0.31;;;;;DOPC;MDCG;27;0;"MARTINI bead: P3_Na";;;;;;;-1.1;;-4.2;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM394524;MM394524;COC(=O)n1ncc(=O)o1;ADHNZYQRQYJCOQ-UHFFFAOYSA-N;144.09;-0.55;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP2_SP2";;;;;;;-1.34;;-4.31;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM394525;MM394525;CN=C(CNC=N)N(C)O;WKPDEMPSLAFPSE-UHFFFAOYSA-N;144.18;-0.47;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nda_P3";;;;;;;-1.1;;-7.08;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM394526;MM394526;C=C(C=O)n1ncc(=O)o1;RNPXXVSTHMNYFD-UHFFFAOYSA-N;140.1;-0.49;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_SP2";;;;;;;-1.34;;-4.31;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM394527;MM394527;C=C(C#N)n1ncc(=O)o1;VSOKLBOUGUIHLJ-UHFFFAOYSA-N;137.1;-0.17;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP2_SP1";;;;;;;-1.06;;-3.82;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM394528;MM394528;CNN(C)C(=O)COC;WORUCTCEKVNGPG-UHFFFAOYSA-N;132.16;-0.77;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_P1";;;;;;;-1.06;;-3.82;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM394529;MM394529;C=CC(=N)n1ncc(=O)o1;NPWRWBJARCGUOD-UHFFFAOYSA-N;139.11;-0.15;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP2_SP2";;;;;;;-1.34;;-4.31;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM394530;MM394530;CN(O)C(CNC=O)=NO;AWLWGPRJIXWPMB-UHFFFAOYSA-N;147.13;-1.16;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_P3";;;;;;;-2.2;;-5.19;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM394531;MM394531;N=C(C=O)n1ncc(=O)o1;FTHUYVNWSICWAT-UHFFFAOYSA-N;141.09;-1.14;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_SP3";;;;;;;-2.2;;-5.19;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM394532;MM394532;C=C1NC(OC)=NC1=N;LYEPGWQPPMJIQM-UHFFFAOYSA-N;125.13;0.08;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP1_SP1";;;;;;;-0.79;;-3.13;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM394533;MM394533;N#CC(=N)n1ncc(=O)o1;AKXSJIFTAPZKEF-UHFFFAOYSA-N;138.09;-0.81;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP2_SP2";;;;;;;-1.34;;-4.31;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM394534;MM394534;C=NNCC(=NC)N(C)N;XJIQWPSYQOXYLL-UHFFFAOYSA-N;143.19;-0.97;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1_P1";;;;;;;-0.79;;-4.19;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM394535;MM394535;C=CC(=O)n1ncc(=O)o1;ZGMNHOTXGQZRRX-UHFFFAOYSA-N;140.1;-0.34;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP2_SP2";;;;;;;-1.34;;-4.31;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM394536;MM394536;Cc1[nH]c(CF)cc1N;UFHOMWCFLSWZST-UHFFFAOYSA-N;128.15;1.37;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNd_SNa";;;;;;;0.87;;-1.88;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM394537;MM394537;O=CC(=O)n1ncc(=O)o1;TYUJNXPFWCAINS-UHFFFAOYSA-N;142.07;-1.32;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP2_SP2";;;;;;;-1.34;;-4.31;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM394538;MM394538;CC=Cc1nc(N)co1;UKLGXNJSPAXRSJ-UHFFFAOYSA-N;124.14;1.29;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC5_SP1";;;;;;;0.81;;-0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM394539;MM394539;N#CC(=O)n1ncc(=O)o1;DYXNVJCNANUWQI-UHFFFAOYSA-N;139.07;-1;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP2_SP2";;;;;;;-1.34;;-4.31;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM394540;MM394540;C=NNCC(=NO)N(C)O;RYVYBBDNYKJSPB-UHFFFAOYSA-N;146.15;-0.7;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_P2";;;;;;;-1.34;;-4.31;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM394541;MM394541;C#CC(=C)n1ncc(=O)o1;ARJQIBGOVPNRGI-UHFFFAOYSA-N;136.11;-0.06;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP2_SP2";;;;;;;-1.34;;-4.31;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM394542;MM394542;CC=C1CC(O)CC1C;JJPOXWFPPDCHSB-UHFFFAOYSA-N;126.2;1.72;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC1_SNda";;;;;;;2.91;;0.57;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM394543;MM394543;C#CC(=N)n1ncc(=O)o1;NVDPVWAFICFOTD-UHFFFAOYSA-N;137.1;-0.71;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP2_SP2";;;;;;;-1.34;;-4.31;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM394544;MM394544;Cc1c(N)nnn1C=N;SRMUOTAVAMIVCN-UHFFFAOYSA-N;125.14;-0.38;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP2_SP2";;;;;;;-1.34;;-4.31;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM394545;MM394545;C#CC(=O)n1ncc(=O)o1;KXONKZCYXBQJLS-UHFFFAOYSA-N;138.08;-0.89;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP2_SP2";;;;;;;-1.34;;-4.31;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM394546;MM394546;C#CC1C(C)C1C(C)O;GGQFQICYZOBYSR-UHFFFAOYSA-N;124.18;0.88;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_SC5";;;;;;;0.81;;-0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM394547;MM394547;CC=C(C)n1ncc(=O)o1;QREHTZZHGLHLGA-UHFFFAOYSA-N;140.14;0.72;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP2_SNa";;;;;;;-0.24;;-3.24;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM394548;MM394548;C=COCC(=NO)N(C)O;LMVOLGHSLSYQLY-UHFFFAOYSA-N;146.15;0.26;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_Na";;;;;;;-0.24;;-3.24;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM394549;MM394549;CC(=CF)n1ncc(=O)o1;QRLQWZXKYHWRCW-UHFFFAOYSA-N;144.11;0.62;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_SP2";;;;;;;-0.24;;-3.24;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM394550;MM394550;CC#CC1NC1C(C)=O;SSIFXOCRSSSVES-UHFFFAOYSA-N;123.16;-0.06;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP1_Na";;;;;;;0.04;;-2.54;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM394551;MM394551;C=CC1C(C)C1(O)C=C;MXINJSAKGCFJML-UHFFFAOYSA-N;124.18;1.36;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4_SNda";;;;;;;2.2;;0.49;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM394552;MM394552;CN(C)C(=NN)NNC=N;CPASKGDVAVPCEZ-UHFFFAOYSA-N;144.18;-1.52;;;;;DOPC;MDCG;27;1;"MARTINI bead: P2_P3";;;;;;;-2.2;;-7.92;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM394553;MM394553;CC(=NO)n1ncc(=O)o1;LBMCZQCPOZZDHX-UHFFFAOYSA-N;143.1;-0.51;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP2_SP2";;;;;;;-1.34;;-4.31;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM394554;MM394554;CN=C(NNC=N)N(C)N;FWUWDVHNZJMZBY-UHFFFAOYSA-N;144.18;-1.52;;;;;DOPC;MDCG;27;1;"MARTINI bead: P2_P4";;;;;;;-2.29;;-8.94;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM394555;MM394555;CCC(C)c1coc(=O)o1;XIPJQNILXDSECR-UHFFFAOYSA-N;142.15;1.75;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1_SP1";;;;;;;2.08;;0.48;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM394556;MM394556;CN(N)C(=NN)NNC=N;NAADXVAAAAOQRL-UHFFFAOYSA-N;145.17;-2.28;;;;;DOPC;MDCG;27;1;"MARTINI bead: P2_P4";;;;;;;-2.29;;-8.16;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM394557;MM394557;CC(CN)c1coc(=O)o1;FKRCGWCPHZYPES-UHFFFAOYSA-N;143.14;0.3;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_SP1";;;;;;;0.04;;-4.98;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM394558;MM394558;CN(N)C(=NN)NNC=O;RRGGFABEIGGCNW-UHFFFAOYSA-N;146.15;-2.73;;;;;DOPC;MDCG;27;1;"MARTINI bead: P2_P4";;;;;;;-2.29;;-7.6;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM394559;MM394559;CC(CO)c1coc(=O)o1;SPXLEBWWNICMGM-UHFFFAOYSA-N;144.13;0.33;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda_SP1";;;;;;;0.04;;-2.73;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM394560;MM394560;CCC#CC(C#N)NC;KYNVQRKDCMUNFB-UHFFFAOYSA-N;122.17;0.51;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_P2";;;;;;;0.54;;-1.09;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM394561;MM394561;CCC(N)c1coc(=O)o1;WIFDWKJBOGLEAT-UHFFFAOYSA-N;143.14;0.64;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_SP1";;;;;;;0.04;;-4.08;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM394562;MM394562;CN=C(NNC=O)N(C)O;MOCFUHYZWMFUGU-UHFFFAOYSA-N;146.15;-1.46;;;;;DOPC;MDCG;27;1;"MARTINI bead: P4_P2";;;;;;;-2.29;;-7.49;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM394563;MM394563;NCC(N)c1coc(=O)o1;KHAZKDPEIDUMJK-UHFFFAOYSA-N;144.13;-0.81;;;;;DOPC;MDCG;27;1;"MARTINI bead: P4_SP1";;;;;;;-2.01;;-6.68;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM394564;MM394564;CN(O)C(=NN)NNC=N;FOBWSXXLKSDBBY-UHFFFAOYSA-N;146.15;-1.76;;;;;DOPC;MDCG;27;1;"MARTINI bead: P2_P4";;;;;;;-2.29;;-7.97;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM394565;MM394565;CCC(O)c1coc(=O)o1;HIVGXCFZGJPAJY-UHFFFAOYSA-N;144.13;0.68;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda_SP1";;;;;;;0.04;;-2.73;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM394566;MM394566;CN(O)C(=NO)NNC=N;XSPXFCJXEJIWOG-UHFFFAOYSA-N;147.14;-1.25;;;;;DOPC;MDCG;27;1;"MARTINI bead: P2_P4";;;;;;;-2.29;;-7.94;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM394567;MM394567;NCC(O)c1coc(=O)o1;QOLSEHFQGZEEFJ-UHFFFAOYSA-N;145.11;-0.78;;;;;DOPC;MDCG;27;1;"MARTINI bead: P3_SP1";;;;;;;-1.93;;-6.41;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM394568;MM394568;CCC1COC(=NN)N1;ZVLLWHMXIBBCLM-UHFFFAOYSA-N;129.16;-0.39;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP1_SP2";;;;;;;-1.06;;-3.82;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM394569;MM394569;O=c1occ(C(O)CF)o1;BTOFVLBLLGVTHT-UHFFFAOYSA-N;148.09;0.24;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_SP1";;;;;;;-1.06;;-3.82;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM394570;MM394570;CCC1CNC(=NN)O1;FAEZBFVKVSXKMX-UHFFFAOYSA-N;129.16;-0.39;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP1_SP2";;;;;;;-1.06;;-3.82;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM394571;MM394571;CCC(F)c1coc(=O)o1;WBDSFFHAZBPMKB-UHFFFAOYSA-N;146.12;1.65;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4_SP1";;;;;;;1.37;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM394572;MM394572;CN(O)C(=NO)NOC=O;KLWHPVYTCZJMNJ-UHFFFAOYSA-N;149.11;-1.27;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_P2";;;;;;;-1.34;;-4.31;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM394573;MM394573;NCC(F)c1coc(=O)o1;SJPBYOVMVQVECH-UHFFFAOYSA-N;147.11;0.2;;;;;DOPC;MDCG;27;1;"MARTINI bead: P2_SP1";;;;;;;-1.06;;-4.84;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM394574;MM394574;C#CC1COC(=NN)O1;KEXTTWZAQPQTNX-UHFFFAOYSA-N;126.12;-0.74;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP2_SP1";;;;;;;-1.06;;-3.82;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM394575;MM394575;COC(C)c1coc(=O)o1;AAEVYDVJDXRACH-UHFFFAOYSA-N;144.13;0.94;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_SP1";;;;;;;0.04;;-2.54;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM394576;MM394576;CN(C)C(=NO)OCC=O;WFHBIZWPHZYZEK-UHFFFAOYSA-N;146.15;-0.49;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_P2";;;;;;;-1.06;;-3.82;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM394577;MM394577;CCC(C)c1noc(=O)o1;AQYMGTOYDSOHOI-UHFFFAOYSA-N;143.14;1.14;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1_SP2";;;;;;;1.8;;0.4;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM394578;MM394578;CN(O)C(=NO)OCC=O;ZTJSYHGVEWYCGC-UHFFFAOYSA-N;148.12;-0.73;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_P2";;;;;;;-1.34;;-4.31;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM394579;MM394579;CC(CN)c1noc(=O)o1;LJZBZIAHEURSRD-UHFFFAOYSA-N;144.13;-0.31;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_SP2";;;;;;;-0.24;;-5.51;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM394580;MM394580;CN(C)C(=NN)ONC=O;JCZBVXBHGPPWRC-UHFFFAOYSA-N;146.15;-1.54;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_P2";;;;;;;-1.06;;-3.82;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM394581;MM394581;CC(CO)c1noc(=O)o1;FQXPEGWNYJVSRD-UHFFFAOYSA-N;145.11;-0.28;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda_SP2";;;;;;;-0.24;;-3.31;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM394582;MM394582;COn1ccc(NN)n1;ZSKGXLQYLWINAA-UHFFFAOYSA-N;128.14;-0.77;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNa_SP1";;;;;;;0.04;;-2.54;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM394583;MM394583;CC(CF)c1noc(=O)o1;GXHJUCWDKCIIMN-UHFFFAOYSA-N;147.11;0.7;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_SP1";;;;;;;0.04;;-2.54;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM394584;MM394584;CN(N)C(=NN)ONC=O;FAWVXIJJNFNSGM-UHFFFAOYSA-N;147.14;-2.3;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_P2";;;;;;;-1.34;;-4.31;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM394585;MM394585;NCC(N)c1noc(=O)o1;OURLQLDOXBFJIK-UHFFFAOYSA-N;145.12;-1.41;;;;;DOPC;MDCG;27;1;"MARTINI bead: P4_SP2";;;;;;;-2.29;;-7.45;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM394586;MM394586;CN(N)C(=NO)ONC=O;YCRAUBVKPMJIDU-UHFFFAOYSA-N;148.12;-1.79;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_P3";;;;;;;-2.2;;-5.19;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM394587;MM394587;CCC(O)c1noc(=O)o1;UJNCCVQHBJZPBH-UHFFFAOYSA-N;145.11;0.07;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda_SP2";;;;;;;-0.24;;-3.31;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM394588;MM394588;CN=C(ONC=O)N(C)O;AOPUPEXRKVQVBO-UHFFFAOYSA-N;147.13;-1.03;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_P2";;;;;;;-1.06;;-3.82;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM394589;MM394589;COC(C)c1noc(=O)o1;IJXQFPUXSIQRPV-UHFFFAOYSA-N;145.11;0.34;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_SP2";;;;;;;-0.24;;-3.24;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM394590;MM394590;C#CCCC(=NN)C(C)C;CTHYIOHIKKXOBF-UHFFFAOYSA-N;138.21;1.37;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_N0";;;;;;;1.94;;0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM394591;MM394591;CCN(C)c1coc(=O)o1;CRNGEENMUWMVQM-UHFFFAOYSA-N;143.14;0.69;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_SP1";;;;;;;-0.79;;-3.13;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM394592;MM394592;C#CCCC(=NO)C(C)C;IVMYNTWRMRLPGA-UHFFFAOYSA-N;139.2;1.89;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_N0";;;;;;;1.94;;0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM394593;MM394593;CCN(C)c1noc(=O)o1;VFSAUJAPYVUBCE-UHFFFAOYSA-N;144.13;0.08;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_SP2";;;;;;;-1.06;;-3.82;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM394594;MM394594;C#CCOC(=CC)C(C)O;VLIPSXVBZDKEJN-UHFFFAOYSA-N;140.18;0.92;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda_N0";;;;;;;1.17;;-1.13;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM394595;MM394595;C=CC(C)c1coc(=O)o1;KKWQOWXQUNTRNQ-UHFFFAOYSA-N;140.14;1.52;;;;;DOPC;MDCG;27;0;"MARTINI bead: C3_SP1";;;;;;;1.74;;0.29;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM394596;MM394596;C#CCOC(=CF)C(C)O;MWTYYDIQLCUIEE-UHFFFAOYSA-N;144.15;0.83;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_C5";;;;;;;0.81;;-0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM394597;MM394597;CC(C=O)c1coc(=O)o1;ZPBRAOMCEJOVAN-UHFFFAOYSA-N;142.11;0.54;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_SP1";;;;;;;0.04;;-2.54;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM394598;MM394598;CC(O)CC(C)(C)C(C)C;UYKSWVGEUDVEHP-UHFFFAOYSA-N;144.26;2.44;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda_C1";;;;;;;2.91;;0.57;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM394599;MM394599;CC(C#N)c1coc(=O)o1;OOAQOQONZWCDIB-UHFFFAOYSA-N;139.11;0.86;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_SP1";;;;;;;-0.79;;-3.13;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM394600;MM394600;C#CC(C=O)OCC(=O)O;FPZGJXJAMYBIJF-UHFFFAOYSA-N;142.11;-0.71;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_Na";;;;;;;-0.24;;-7.29;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM394601;MM394601;C=CC(O)c1coc(=O)o1;YRNIAPKPCGDADY-UHFFFAOYSA-N;142.11;0.45;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda_SP1";;;;;;;0.04;;-2.73;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM394602;MM394602;C=C(C#N)CCC(C)(C)O;OHSVXGQUJNHBGG-UHFFFAOYSA-N;139.2;1.62;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda_N0";;;;;;;1.17;;-1.13;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM394603;MM394603;O=CC(O)c1coc(=O)o1;TZDFCYUDADTBJQ-UHFFFAOYSA-N;144.08;-0.53;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_SP1";;;;;;;-1.06;;-3.82;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM394604;MM394604;CC#CC=NN=CC(=O)O;OCNGPHJBEBZZRA-UHFFFAOYSA-N;138.13;0.15;;;;;DOPC;MDCG;27;0;"MARTINI bead: N0_P1";;;;;;;0.34;;-5.6;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM394605;MM394605;N#CC(O)c1coc(=O)o1;RROAFIPRYPVRGE-UHFFFAOYSA-N;141.08;-0.21;;;;;DOPC;MDCG;27;0;"MARTINI bead: P3_SP1";;;;;;;-1.93;;-4.72;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM394606;MM394606;C#CCOC(=NC)N(C)C;JCBUNRSSNHPIAF-UHFFFAOYSA-N;140.19;0.18;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1_N0";;;;;;;0.34;;-2.88;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM394607;MM394607;C=CC(F)c1coc(=O)o1;PNWBBUXJSJNNDB-UHFFFAOYSA-N;144.1;1.43;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_SP1";;;;;;;0.04;;-2.54;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM394608;MM394608;C#CCOC(=NO)N(C)C;HMUNUUDJCLOSEI-UHFFFAOYSA-N;142.16;-0.06;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_Nda";;;;;;;0.04;;-2.73;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM394609;MM394609;O=CC(F)c1coc(=O)o1;HQFWJFUMWWCIDN-UHFFFAOYSA-N;146.07;0.44;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_SP1";;;;;;;-1.06;;-3.82;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM394610;MM394610;CCC(C)(CC)CC(C)O;NXCGIASXPQOTGF-UHFFFAOYSA-N;144.26;2.58;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1_Nda";;;;;;;2.91;;0.57;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM394611;MM394611;N#CC(F)c1coc(=O)o1;HWTIEDSFCJHWRF-UHFFFAOYSA-N;143.07;0.77;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_SP1";;;;;;;0.04;;-2.54;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM394612;MM394612;C#CCOC(=NO)N(C)O;KFMZTGWTGHSOTN-UHFFFAOYSA-N;144.13;-0.3;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_N0";;;;;;;0.06;;-2.21;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM394613;MM394613;C=CC(C)c1noc(=O)o1;JLTGGWYHZPTLHO-UHFFFAOYSA-N;141.13;0.92;;;;;DOPC;MDCG;27;0;"MARTINI bead: C3_SP2";;;;;;;1.46;;-0.15;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM394614;MM394614;C=C(C)C(=CF)CCCN;RVBHYRAFBWLYAI-UHFFFAOYSA-N;143.21;2.15;;;;;DOPC;MDCG;27;1;"MARTINI bead: C1_P1";;;;;;;2.08;;-1.17;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM394615;MM394615;CC(C=O)c1noc(=O)o1;HOXBUPAMVLEIQJ-UHFFFAOYSA-N;143.1;-0.07;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_SP2";;;;;;;-0.24;;-3.24;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM394616;MM394616;CC(F)C=CC(C)C(C)O;RSNUTSPNHCJYJJ-UHFFFAOYSA-N;146.21;1.92;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda_C5";;;;;;;1.64;;0.05;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM394617;MM394617;CC(C#N)c1noc(=O)o1;HVEMTHNFAUGAKT-UHFFFAOYSA-N;140.1;0.25;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_SP2";;;;;;;-1.06;;-3.82;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM394618;MM394618;C=CC(O)c1noc(=O)o1;TUVFSZRXRUBXDY-UHFFFAOYSA-N;143.1;-0.15;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda_SP2";;;;;;;-0.24;;-3.31;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM394619;MM394619;C=C(C)C(=CF)CCCF;SQAHKRKEFAUDRA-UHFFFAOYSA-N;146.18;3.17;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1_C5";;;;;;;3.68;;0.46;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM394620;MM394620;O=CC(O)c1noc(=O)o1;QXLUJWXUXZXBKZ-UHFFFAOYSA-N;145.07;-1.14;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_SP2";;;;;;;-1.34;;-4.31;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM394621;MM394621;CC=C(CCCC)C(C)=O;WBQLJTHOKVVSRN-UHFFFAOYSA-N;140.23;2.71;;;;;DOPC;MDCG;27;0;"MARTINI bead: C3_C5";;;;;;;3.34;;0.48;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM394622;MM394622;N#CC(O)c1noc(=O)o1;CDVPBBRSYDGKST-UHFFFAOYSA-N;142.07;-0.82;;;;;DOPC;MDCG;27;0;"MARTINI bead: P3_SP2";;;;;;;-2.2;;-5.19;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM394623;MM394623;CCC(O)CC=CC(C)F;WVMRXRHUSPVKEN-UHFFFAOYSA-N;146.21;2.06;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda_C4";;;;;;;2.2;;0.49;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM394624;MM394624;CN(C=O)c1coc(=O)o1;SXIAYDYSQMLGNN-UHFFFAOYSA-N;143.1;-0.17;;;;;DOPC;MDCG;27;0;"MARTINI bead: P3_SP1";;;;;;;-1.93;;-4.72;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM394625;MM394625;CC=C(CCCF)C(C)=O;LTUVQIPYJOTUKF-UHFFFAOYSA-N;144.19;2.27;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_C5";;;;;;;2.41;;0.64;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM394626;MM394626;N=CN(N)c1coc(=O)o1;JRPRZHQQUVQUDS-UHFFFAOYSA-N;143.1;-0.48;;;;;DOPC;MDCG;27;0;"MARTINI bead: P4_SP1";;;;;;;-2.01;;-5.13;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM394627;MM394627;CCCCC(=CN)C(C)=O;AVRQMTJITVEEPZ-UHFFFAOYSA-N;141.21;1.61;;;;;DOPC;MDCG;27;0;"MARTINI bead: C3_P1";;;;;;;1.74;;0.29;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM394628;MM394628;NN(C=O)c1coc(=O)o1;JXWLMFBAGXETDP-UHFFFAOYSA-N;144.09;-0.93;;;;;DOPC;MDCG;27;0;"MARTINI bead: P4_SP1";;;;;;;-2.01;;-5.13;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM394629;MM394629;CCOC(=NN)NC(C)C;IJLMPWSDNNEKBE-UHFFFAOYSA-N;145.21;0.25;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda_Nd";;;;;;;0.87;;-1.92;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM394630;MM394630;C=NN(C=NN)CCF;TVRGXYOCMNYSBA-UHFFFAOYSA-N;132.14;-0.22;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_Na";;;;;;;-0.24;;-3.24;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM394631;MM394631;CC=C(CCCF)C(=N)N;VCCOFWBGAPILKV-UHFFFAOYSA-N;144.19;1.62;;;;;DOPC;MDCG;27;1;"MARTINI bead: C1_P3";;;;;;;0.94;;-4.05;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM394632;MM394632;CN(C=N)c1noc(=O)o1;VTOHVOGLFKKKER-UHFFFAOYSA-N;143.1;-0.33;;;;;DOPC;MDCG;27;0;"MARTINI bead: P3_SP2";;;;;;;-2.2;;-5.19;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM394633;MM394633;C#CC(=NNC)NN(C)C;XONGADNSVIVRNR-UHFFFAOYSA-N;140.19;-0.78;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_P2";;;;;;;-1.06;;-3.82;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM394634;MM394634;CN(C=O)c1noc(=O)o1;UKOHENCTIPHQCQ-UHFFFAOYSA-N;144.09;-0.78;;;;;DOPC;MDCG;27;0;"MARTINI bead: P3_SP2";;;;;;;-2.2;;-5.19;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM394635;MM394635;CNC(=NC(C)=O)OC=O;UUKRWOMXIOENJO-UHFFFAOYSA-N;144.13;-0.72;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_Na";;;;;;;-0.24;;-3.24;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM394636;MM394636;N=CN(N)c1noc(=O)o1;NCGAIEOORVYAIJ-UHFFFAOYSA-N;144.09;-1.09;;;;;DOPC;MDCG;27;0;"MARTINI bead: P4_SP2";;;;;;;-2.29;;-5.95;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM394637;MM394637;CC1=C(CO)N=NC1=CO;PVPAXNDBKKAYOF-UHFFFAOYSA-N;140.14;1.12;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNda_SNda";;;;;;;0.87;;-6.16;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM394638;MM394638;NN(C=O)c1noc(=O)o1;JPYMSXZOSBGHLE-UHFFFAOYSA-N;145.07;-1.54;;;;;DOPC;MDCG;27;0;"MARTINI bead: P4_SP2";;;;;;;-2.29;;-5.95;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM394639;MM394639;O=C(O)C(=CF)CCCF;YYHBHHVXFXTSJJ-UHFFFAOYSA-N;150.12;1.67;;;;;DOPC;MDCG;27;-1;"MARTINI bead: P1_C4";;;;;;;1.37;;-3.32;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM394640;MM394640;C=CN(C=NN)OCC;HLHJCSNXPUOPEW-UHFFFAOYSA-N;129.16;0.29;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_P1";;;;;;;0.04;;-2.54;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM394641;MM394641;C=C(F)C(=CC)CCCN;YODFMVCTMHDQJU-UHFFFAOYSA-N;143.21;2.15;;;;;DOPC;MDCG;27;1;"MARTINI bead: C1_P1";;;;;;;2.08;;-1.17;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM394642;MM394642;C#CC(C)c1coc(=O)o1;LJMIOFQNKNCFLR-UHFFFAOYSA-N;138.12;0.97;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_SP1";;;;;;;0.81;;-0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM394643;MM394643;C=C(C)C(=CC)CCNC;HOCLHOLMJXEKHM-UHFFFAOYSA-N;139.24;2.12;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1_C1";;;;;;;2.08;;-1.43;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM394644;MM394644;C#CC(O)c1coc(=O)o1;WKBHYMIBCOTCTH-UHFFFAOYSA-N;140.09;-0.1;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_SP1";;;;;;;-1.06;;-3.82;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM394645;MM394645;C=C(C)C(=CF)CCNC;FSEOSAVHFRXAAW-UHFFFAOYSA-N;143.21;2.03;;;;;DOPC;MDCG;27;1;"MARTINI bead: C5_Na";;;;;;;1.64;;-3;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM394646;MM394646;C#CC(F)c1coc(=O)o1;VXXMLPHOGWQAMC-UHFFFAOYSA-N;142.09;0.88;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_SP1";;;;;;;0.04;;-2.54;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM394647;MM394647;CC=C(CCNC)C(C)=O;SBKAUVAUZCYNHY-UHFFFAOYSA-N;141.21;1.13;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1_C5";;;;;;;0.81;;-3.25;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM394648;MM394648;C#CC(C)c1noc(=O)o1;TVNQXGAGOVQCCY-UHFFFAOYSA-N;139.11;0.36;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_SP2";;;;;;;0.54;;-1.09;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM394649;MM394649;CNCCC(=CN)C(C)=O;BXLNCFUNEDAJIH-UHFFFAOYSA-N;142.2;0.03;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1_P1";;;;;;;-0.79;;-5.89;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM394650;MM394650;C#CC(O)c1noc(=O)o1;SZKBMHZDFPVPIG-UHFFFAOYSA-N;141.08;-0.71;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_SP2";;;;;;;-1.34;;-4.31;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM394651;MM394651;CNCCC(=CF)C(=N)N;ZRJXHRUCAXDBDL-UHFFFAOYSA-N;145.18;0.39;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nda_P3";;;;;;;-1.1;;-7.1;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM394652;MM394652;C#CC(F)c1noc(=O)o1;LEUYUQWAYPVZJC-UHFFFAOYSA-N;143.07;0.27;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_SP2";;;;;;;-0.24;;-3.24;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM394653;MM394653;C=C(F)C(=CC)CCNC;PVYBTDPKTHLCHC-UHFFFAOYSA-N;143.21;2.03;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1_C1";;;;;;;2.08;;-1.43;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM394654;MM394654;C=C(CC)c1coc(=O)o1;LARZOSFNUACYHV-UHFFFAOYSA-N;140.14;1.66;;;;;DOPC;MDCG;27;0;"MARTINI bead: C3_SP1";;;;;;;1.74;;0.29;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM394655;MM394655;COCCC(=CN)C(=N)N;ARMGUOGBQOBQKU-UHFFFAOYSA-N;143.19;-0.2;;;;;DOPC;MDCG;27;1;"MARTINI bead: Na_P3";;;;;;;-1.1;;-8.2;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM394656;MM394656;C=C(CN)c1coc(=O)o1;XWDBNFDCRXJGDV-UHFFFAOYSA-N;141.13;0.2;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1_SP1";;;;;;;-0.79;;-4.91;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM394657;MM394657;CC1=CC(C)(O)C(C)=C1C;NVUNLESBLBUWOI-UHFFFAOYSA-N;138.21;2.03;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNda_SC3";;;;;;;2.57;;0.44;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM394658;MM394658;C=C(CO)c1coc(=O)o1;VKGSBSDAZMPEEQ-UHFFFAOYSA-N;142.11;0.24;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda_SP1";;;;;;;0.04;;-2.73;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM394659;MM394659;C#CC#CC1C=CC(=O)N1;FLPATFKZPAMCHQ-UHFFFAOYSA-N;131.13;-0.32;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP2_SN0";;;;;;;0.06;;-6.23;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM394660;MM394660;C=C(CF)c1coc(=O)o1;VZQHNMUYPMBNCG-UHFFFAOYSA-N;144.1;1.22;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_SP1";;;;;;;0.04;;-2.54;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM394661;MM394661;C=CC(=C)C1CC(C)(O)C1;ZJMIIOQNPDRFPE-UHFFFAOYSA-N;138.21;1.89;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNda_SC2";;;;;;;2.83;;0.57;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM394662;MM394662;CCC(=O)c1coc(=O)o1;YNLOGDGIQTZHAH-UHFFFAOYSA-N;142.11;0.83;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_SP1";;;;;;;0.04;;-2.54;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM394663;MM394663;C=C(C)C(CCCF)=NN;PABONAHDZWLXQC-UHFFFAOYSA-N;144.19;1.63;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_C5";;;;;;;2.41;;0.64;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM394664;MM394664;O=C(CO)c1coc(=O)o1;WQIODGFBTDIFJL-UHFFFAOYSA-N;144.08;-0.59;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_SP1";;;;;;;-1.06;;-3.82;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM394665;MM394665;C=C(C)C(CCCN)=NO;VGPHOVUAIJSRNB-UHFFFAOYSA-N;142.2;1.13;;;;;DOPC;MDCG;27;1;"MARTINI bead: C5_P1";;;;;;;0.81;;-3.21;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM394666;MM394666;O=C(CF)c1coc(=O)o1;KYVCEAOAZCXNFQ-UHFFFAOYSA-N;146.07;0.39;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_SP1";;;;;;;-1.06;;-3.82;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM394667;MM394667;C=C(C)C(CCCO)=NO;OTZNKROSJAKVDY-UHFFFAOYSA-N;143.19;1.17;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_P1";;;;;;;0.81;;-0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM394668;MM394668;CNC(=N)c1coc(=O)o1;MEHALFXBYGSCEJ-UHFFFAOYSA-N;142.11;-0.22;;;;;DOPC;MDCG;27;1;"MARTINI bead: P3_SP1";;;;;;;-1.93;;-6.37;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM394669;MM394669;C=C(C)C(CCCF)=NO;DSJNWDSSQWWZBT-UHFFFAOYSA-N;145.18;2.14;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_C5";;;;;;;2.41;;0.64;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM394670;MM394670;C=CCN(C=NN)N=C;VLEFMSXSOLALTQ-UHFFFAOYSA-N;126.16;-0.01;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_N0";;;;;;;0.06;;-2.21;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM394671;MM394671;COCCC(=NN)C(=N)N;FFAYWWGFOKIZTF-UHFFFAOYSA-N;144.18;-0.73;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1_P2";;;;;;;-1.06;;-5.78;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM394672;MM394672;CNC(=O)c1coc(=O)o1;RSGHDCMWHQQGRH-UHFFFAOYSA-N;143.1;-0.41;;;;;DOPC;MDCG;27;0;"MARTINI bead: P3_SP1";;;;;;;-1.93;;-4.72;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM394673;MM394673;C=C(C)C(=CC)CNCC;KEBHKFWJDOPGBW-UHFFFAOYSA-N;139.24;2.12;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_C1";;;;;;;2.91;;-0.23;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM394674;MM394674;NNC(=O)c1coc(=O)o1;RRVGEXARKUYNKM-UHFFFAOYSA-N;144.09;-1.16;;;;;DOPC;MDCG;27;0;"MARTINI bead: P4_SP1";;;;;;;-2.01;;-5.13;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM394675;MM394675;C=C(C)C(=CF)CNCC;QZYFVPFHQAFFRO-UHFFFAOYSA-N;143.21;2.03;;;;;DOPC;MDCG;27;1;"MARTINI bead: C5_Na";;;;;;;1.64;;-1.92;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM394676;MM394676;O=C(NO)c1coc(=O)o1;UVEIHBSVRMHSNL-UHFFFAOYSA-N;145.07;-0.65;;;;;DOPC;MDCG;27;0;"MARTINI bead: P4_SP1";;;;;;;-2.01;;-5.13;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM394677;MM394677;CC=C(CNCC)C(C)=O;ATTKYARSBNOAIP-UHFFFAOYSA-N;141.21;1.13;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1_C5";;;;;;;0.81;;-2.28;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM394678;MM394678;C=C(OC)c1coc(=O)o1;VQXDRXXZSSZCMG-UHFFFAOYSA-N;142.11;0.85;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_SP1";;;;;;;0.04;;-2.54;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM394679;MM394679;CCNCC(=CN)C(C)=O;JFLISCPGNHZNTG-UHFFFAOYSA-N;142.2;0.03;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_P2";;;;;;;-0.24;;-4.58;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM394680;MM394680;COC(=O)c1coc(=O)o1;IFMMZUMWYJRDGG-UHFFFAOYSA-N;144.08;0.02;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_SP1";;;;;;;-0.79;;-3.13;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM394681;MM394681;CC=C(CNCC)C(=N)N;LFFGIMCUGADWSQ-UHFFFAOYSA-N;141.22;0.48;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1_Nd";;;;;;;0.04;;-7.24;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM394682;MM394682;C=C(F)C(=CC)CNCC;VWYNSIORJGASQS-UHFFFAOYSA-N;143.21;2.03;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_C1";;;;;;;2.91;;0.12;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM394683;MM394683;C=C(CC)c1noc(=O)o1;KQIHBFTZCLMTIH-UHFFFAOYSA-N;141.13;1.05;;;;;DOPC;MDCG;27;0;"MARTINI bead: C3_SP2";;;;;;;1.46;;-0.15;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM394684;MM394684;CC=C(COCC)C(C)=O;GEJIJVIYBGNDJL-UHFFFAOYSA-N;142.2;1.56;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_C5";;;;;;;1.64;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM394685;MM394685;C=C(CN)c1noc(=O)o1;MAIAABZSOXEYAZ-UHFFFAOYSA-N;142.11;-0.4;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1_SP2";;;;;;;-1.06;;-5.6;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM394686;MM394686;C=C(C=O)C1CC(C)(O)C1;DBCWMHIONWHGRF-UHFFFAOYSA-N;140.18;0.9;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNda_SC5";;;;;;;1.64;;0.05;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM394687;MM394687;C=C(CO)c1noc(=O)o1;IQGLBPKUYFLARI-UHFFFAOYSA-N;143.1;-0.37;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda_SP2";;;;;;;-0.24;;-3.31;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM394688;MM394688;CCC(C)(C)C1C(C)C1O;UABNYMQPVZLZDX-UHFFFAOYSA-N;142.24;2.05;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1_SNda";;;;;;;2.91;;0.57;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM394689;MM394689;C=C(CF)c1noc(=O)o1;WWCUNIGINDXDQE-UHFFFAOYSA-N;145.09;0.61;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_SP2";;;;;;;-0.24;;-3.24;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM394690;MM394690;C=C(C)C(=NC)NCCN;HSZPVTPCONDBFM-UHFFFAOYSA-N;141.22;0.14;;;;;DOPC;MDCG;27;1;"MARTINI bead: P3_C4";;;;;;;0.23;;-4.82;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM394691;MM394691;CCC(=O)c1noc(=O)o1;JPGFGGQLHMFJCB-UHFFFAOYSA-N;143.1;0.22;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_SP2";;;;;;;-0.24;;-3.24;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM394692;MM394692;CC1NC(C)(C#N)CC1=O;RSFUXNXQFSYUST-UHFFFAOYSA-N;138.17;0.22;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNd_SP1";;;;;;;0.04;;-2.63;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM394693;MM394693;O=C(CO)c1noc(=O)o1;PVWUXXLQPYLKBG-UHFFFAOYSA-N;145.07;-1.2;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_SP2";;;;;;;-1.34;;-4.31;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM394694;MM394694;CN=C(NCCO)C(=N)N;MYRSNHIFMDEDMR-UHFFFAOYSA-N;144.18;-1.47;;;;;DOPC;MDCG;27;1;"MARTINI bead: P3_P1";;;;;;;-1.93;;-8.03;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM394695;MM394695;O=C(CF)c1noc(=O)o1;MQUCIMONVLPIRF-UHFFFAOYSA-N;147.06;-0.22;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_SP2";;;;;;;-1.34;;-4.31;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM394696;MM394696;N=C(N)C(=NN)NCCO;WKPBLMJTDPAHIU-UHFFFAOYSA-N;145.17;-2.22;;;;;DOPC;MDCG;27;1;"MARTINI bead: P4_P1";;;;;;;-2.01;;-8.01;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM394697;MM394697;CC=CN(C=NN)OC;NAVVHGIBGZUBRG-UHFFFAOYSA-N;129.16;0.29;;;;;DOPC;MDCG;27;0;"MARTINI bead: P3_C4";;;;;;;0.23;;-1.03;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM394698;MM394698;N=C(N)C(=NCCN)NO;LCVHZGQQGGVGMV-UHFFFAOYSA-N;145.17;-1.74;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1_P4";;;;;;;-2.01;;-7.38;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM394699;MM394699;CON(C=CF)C=NN;RWUKSOVFKWADJL-UHFFFAOYSA-N;133.13;0.19;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_P1";;;;;;;0.04;;-2.54;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM394700;MM394700;N=C(N)C(=NO)NCCO;HRAQUEROCJGVHS-UHFFFAOYSA-N;146.15;-1.71;;;;;DOPC;MDCG;27;1;"MARTINI bead: P4_P1";;;;;;;-2.01;;-7.26;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM394701;MM394701;CNC(=O)c1noc(=O)o1;MZWYTENWMPLKMC-UHFFFAOYSA-N;144.09;-1.01;;;;;DOPC;MDCG;27;0;"MARTINI bead: P3_SP2";;;;;;;-2.2;;-5.19;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM394702;MM394702;CCC1(O)C=C(C)C(C)=C1;NTNQXIIVUCBREY-UHFFFAOYSA-N;138.21;2.03;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC5_SC3";;;;;;;3.34;;0.48;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM394703;MM394703;NNC(=O)c1noc(=O)o1;GNWNDDVJEQHIOE-UHFFFAOYSA-N;145.07;-1.77;;;;;DOPC;MDCG;27;0;"MARTINI bead: P4_SP2";;;;;;;-2.29;;-5.95;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM394704;MM394704;CC1=C(C)CC(C)(CO)C1;IMXIWZJNOQQMEX-UHFFFAOYSA-N;140.23;2.12;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC3_SC5";;;;;;;3.34;;0.48;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM394705;MM394705;C=C(OC)c1noc(=O)o1;QJZDYSYNJINYAV-UHFFFAOYSA-N;143.1;0.24;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_SP2";;;;;;;-0.24;;-3.24;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM394706;MM394706;C=NN=CNC(=N)C#CC;RFAAEOQCURSBFZ-UHFFFAOYSA-N;136.16;0.22;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nd_Nd";;;;;;;0.87;;-2.11;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM394707;MM394707;COC(=O)c1noc(=O)o1;VIWDUQNIYIGLOA-UHFFFAOYSA-N;145.07;-0.59;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_SP2";;;;;;;-1.06;;-3.82;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM394708;MM394708;NC(=O)C(=NO)NCCO;VVEYVQVQWKFWSE-UHFFFAOYSA-N;147.13;-2.16;;;;;DOPC;MDCG;27;0;"MARTINI bead: P4_P1";;;;;;;-2.01;;-5.13;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM394709;MM394709;O=C(O)COC(CO)=NO;QAXWXCWBPDZPRI-UHFFFAOYSA-N;149.1;-1.13;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_P1";;;;;;;-1.06;;-7.86;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM394710;MM394710;C=CC(=C)c1coc(=O)o1;OVHJMPLSYJVHCQ-UHFFFAOYSA-N;138.12;1.43;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4_SP1";;;;;;;1.37;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM394711;MM394711;CNN=CNN(C)C(C)=O;WMDBUVMTSGZHQZ-UHFFFAOYSA-N;144.18;-0.87;;;;;DOPC;MDCG;27;0;"MARTINI bead: P3_Na";;;;;;;-1.1;;-4.2;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM394712;MM394712;C=C(C=O)c1coc(=O)o1;PCRLDMXRHSCBMF-UHFFFAOYSA-N;140.09;0.44;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_SP1";;;;;;;0.04;;-2.54;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM394713;MM394713;N=C(N)C(=CN)OCCN;BTXDOUYJULKJAF-UHFFFAOYSA-N;144.18;-1.3;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1_P3";;;;;;;-1.93;;-8.57;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM394714;MM394714;C=C(C#N)c1coc(=O)o1;GETDETGFRQPKBM-UHFFFAOYSA-N;137.09;0.77;;;;;DOPC;MDCG;27;0;"MARTINI bead: N0_SP1";;;;;;;0.34;;-1.53;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM394715;MM394715;N=C(N)C(=CN)OCCO;FQABJSSANXFUQS-UHFFFAOYSA-N;145.16;-1.27;;;;;DOPC;MDCG;27;1;"MARTINI bead: P2_P3";;;;;;;-2.2;;-9.04;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM394716;MM394716;C=CC(=O)c1coc(=O)o1;UPJAFVFDBNASAK-UHFFFAOYSA-N;140.09;0.6;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_SP1";;;;;;;0.04;;-2.54;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM394717;MM394717;CCCOC(=CF)C(=N)N;KHTQDYORVHFBIY-UHFFFAOYSA-N;146.17;1.16;;;;;DOPC;MDCG;27;1;"MARTINI bead: C3_P3";;;;;;;0.6;;-3.62;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM394718;MM394718;O=CC(=O)c1coc(=O)o1;WIFSXYCWGLTASC-UHFFFAOYSA-N;142.07;-0.39;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_SP1";;;;;;;0.04;;-2.54;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM394719;MM394719;CC=C(OCCN)C(N)=O;NUPLIJOUJIZTHW-UHFFFAOYSA-N;144.17;-0.65;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1_P1";;;;;;;-0.79;;-4.86;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM394720;MM394720;N#CC(=O)c1coc(=O)o1;XBWGKTTVHWJSQK-UHFFFAOYSA-N;139.07;-0.06;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_SP1";;;;;;;-0.79;;-3.13;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM394721;MM394721;CC=C(OCCF)C(N)=O;JEQLGTYCHKRARZ-UHFFFAOYSA-N;147.15;0.36;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4_P3";;;;;;;0.23;;-1.03;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM394722;MM394722;C=CC(=C)c1noc(=O)o1;FMGIQXGTTONEQJ-UHFFFAOYSA-N;139.11;0.83;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4_SP2";;;;;;;1.09;;-0.38;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM394723;MM394723;NC=C(OCCN)C(N)=O;KACKBPBJWGVHNS-UHFFFAOYSA-N;145.16;-1.75;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1_P4";;;;;;;-2.01;;-6.82;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM394724;MM394724;C=C(C=O)c1noc(=O)o1;FKISUOKUQHKOPB-UHFFFAOYSA-N;141.08;-0.16;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_SP2";;;;;;;-0.24;;-3.24;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM394725;MM394725;NC=C(OCCO)C(N)=O;MBXWOOTVEGXPEA-UHFFFAOYSA-N;146.15;-1.72;;;;;DOPC;MDCG;27;0;"MARTINI bead: P4_P1";;;;;;;-2.01;;-5.13;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM394726;MM394726;C=C(C#N)c1noc(=O)o1;PVWUDXGYYWABEC-UHFFFAOYSA-N;138.08;0.16;;;;;DOPC;MDCG;27;0;"MARTINI bead: N0_SP2";;;;;;;0.06;;-2.21;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM394727;MM394727;NC=C(OCCF)C(N)=O;CZINWHMXGKVMOW-UHFFFAOYSA-N;148.14;-0.74;;;;;DOPC;MDCG;27;0;"MARTINI bead: P4_C5";;;;;;;-0.41;;-2.78;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM394728;MM394728;C=CC(=O)c1noc(=O)o1;DSZWBYKCQCYFLB-UHFFFAOYSA-N;141.08;;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_SP2";;;;;;;-0.24;;-3.24;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM394729;MM394729;NC(=O)C(=CF)OCCO;UBJWZPFSNZKWKM-UHFFFAOYSA-N;149.12;-0.71;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_P1";;;;;;;-1.06;;-3.82;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM394730;MM394730;O=CC(=O)c1noc(=O)o1;ZVPSCBMTQXOMFM-UHFFFAOYSA-N;143.05;-0.99;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_SP2";;;;;;;-0.24;;-3.24;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM394731;MM394731;Cc1oc(=NO)[nH]c1F;OYSUFHALZVFXPH-UHFFFAOYSA-N;132.09;0.35;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP2_SNda";;;;;;;-0.24;;-7.34;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM394732;MM394732;N#CC(=O)c1noc(=O)o1;UYLRIFGEHUNFPK-UHFFFAOYSA-N;140.05;-0.67;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_SP2";;;;;;;-1.06;;-3.82;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM394733;MM394733;NC(=NOCCF)C(=O)O;AGYOCAATFNWEFQ-UHFFFAOYSA-N;150.11;-0.67;;;;;DOPC;MDCG;27;0;"MARTINI bead: P3_C5";;;;;;;-0.33;;-5.82;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM394734;MM394734;C#CC(=C)c1coc(=O)o1;YMPKNTCZKITNJZ-UHFFFAOYSA-N;136.11;0.88;;;;;DOPC;MDCG;27;0;"MARTINI bead: N0_SP1";;;;;;;0.34;;-1.53;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM394735;MM394735;C#CC#Cc1n[nH]c(O)n1;RJEGUIQSFDROHJ-UHFFFAOYSA-N;133.11;-0.51;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP2_SNda";;;;;;;-0.24;;-7.34;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM394736;MM394736;C#CC(=O)c1coc(=O)o1;BNAIUCLHEUTDNK-UHFFFAOYSA-N;138.08;0.05;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_SP1";;;;;;;-0.79;;-3.13;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM394737;MM394737;C=C(C)C(=NO)OCCO;QZMOSJNHAOBOLW-UHFFFAOYSA-N;145.16;0.36;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4_P3";;;;;;;0.23;;-1.03;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM394738;MM394738;C#CC(=C)c1noc(=O)o1;BGDHQZQZUKFIHN-UHFFFAOYSA-N;137.09;0.27;;;;;DOPC;MDCG;27;0;"MARTINI bead: N0_SP2";;;;;;;0.06;;-2.21;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM394739;MM394739;N=C(N)C(=NN)OCCO;KNYXQVUDQAZNMK-UHFFFAOYSA-N;146.15;-1.8;;;;;DOPC;MDCG;27;1;"MARTINI bead: P2_P3";;;;;;;-2.2;;-6.3;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM394740;MM394740;C#CC(=O)c1noc(=O)o1;PAXCKDMAHAFWQN-UHFFFAOYSA-N;139.07;-0.56;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_SP2";;;;;;;-1.06;;-3.82;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM394741;MM394741;N=C(N)C(=NO)OCCN;GYJODVIFRWVKHA-UHFFFAOYSA-N;146.15;-1.31;;;;;DOPC;MDCG;27;1;"MARTINI bead: P2_P3";;;;;;;-2.2;;-7.03;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM394742;MM394742;CC=C(C)c1coc(=O)o1;JNVCONUGLFAMBZ-UHFFFAOYSA-N;140.14;1.66;;;;;DOPC;MDCG;27;0;"MARTINI bead: C2_SP1";;;;;;;2;;0.29;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM394743;MM394743;NN=C(OCCO)C(N)=O;KJKZZCXUPBRGRZ-UHFFFAOYSA-N;147.13;-2.25;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_P3";;;;;;;-2.2;;-5.19;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM394744;MM394744;CC(=CF)c1coc(=O)o1;SQMIANDFXFLMBW-UHFFFAOYSA-N;144.1;1.56;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4_SP1";;;;;;;1.37;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM394745;MM394745;NCCOC(=NO)C(N)=O;CORHFGHMWXYWCC-UHFFFAOYSA-N;147.13;-1.77;;;;;DOPC;MDCG;27;1;"MARTINI bead: P2_P3";;;;;;;-2.2;;-6.67;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM394746;MM394746;CC=C(F)c1coc(=O)o1;GYGPUWCMZBDPHS-UHFFFAOYSA-N;144.1;1.56;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4_SP1";;;;;;;1.37;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM394747;MM394747;NC(=O)C(=NO)OCCO;ZAWLEQZHAUNLTL-UHFFFAOYSA-N;148.12;-1.73;;;;;DOPC;MDCG;27;0;"MARTINI bead: P3_P1";;;;;;;-1.93;;-4.72;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM394748;MM394748;O=c1occ(C(F)=CF)o1;QWIYGXIJUMDXEX-UHFFFAOYSA-N;148.06;1.47;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_SP1";;;;;;;0.81;;-0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM394749;MM394749;CNC(=CC(=O)O)C(N)=O;JUWANGINJDNTPB-UHFFFAOYSA-N;144.13;-1.34;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_P1";;;;;;;-1.06;;-7.86;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM394750;MM394750;CC(=NN)c1coc(=O)o1;XYVDWMVOGDFYQM-UHFFFAOYSA-N;142.11;-0.08;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nd_SP1";;;;;;;0.04;;-2.63;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM394751;MM394751;CCNc1cc(O)on1;JWRVSSCIYGDPQQ-UHFFFAOYSA-N;128.13;0.81;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNda_SNda";;;;;;;0.87;;-6.16;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM394752;MM394752;CC=C(C)c1noc(=O)o1;BFQVHEMIOSVUHG-UHFFFAOYSA-N;141.13;1.05;;;;;DOPC;MDCG;27;0;"MARTINI bead: C2_SP2";;;;;;;1.72;;0.27;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM394753;MM394753;CNN=CNC(=N)C(C)F;KDSCBIPANHHCKH-UHFFFAOYSA-N;146.17;0.07;;;;;DOPC;MDCG;27;0;"MARTINI bead: P3_C5";;;;;;;-0.33;;-2.01;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM394754;MM394754;CC(=CF)c1noc(=O)o1;VSJYDZUYGAJMJS-UHFFFAOYSA-N;145.09;0.96;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4_SP2";;;;;;;1.09;;-0.38;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM394755;MM394755;C=CCCC(=CC)C(C)=O;GTKNWICZVSHMGX-UHFFFAOYSA-N;138.21;2.49;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_C4";;;;;;;2.97;;0.45;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM394756;MM394756;CC=C(F)c1noc(=O)o1;ZAQMSOHSMHUOSR-UHFFFAOYSA-N;145.09;0.96;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4_SP2";;;;;;;1.09;;-0.38;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM394757;MM394757;CC=C(CCC=O)C(C)=O;CBBCBVQGPFINLP-UHFFFAOYSA-N;140.18;1.5;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_Na";;;;;;;1.64;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM394758;MM394758;O=c1onc(C(F)=CF)o1;HDXTWFZOYSQCFU-UHFFFAOYSA-N;149.05;0.87;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_SP2";;;;;;;0.54;;-1.09;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM394759;MM394759;C=CCCC(=CN)C(C)=O;OPXOAHSTQHGKSZ-UHFFFAOYSA-N;139.2;1.38;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_C4";;;;;;;1.37;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM394760;MM394760;C=NN(C=CC)C=NN;FVRSSOVDFHUUGH-UHFFFAOYSA-N;126.16;0.34;;;;;DOPC;MDCG;27;0;"MARTINI bead: N0_P1";;;;;;;0.34;;-1.53;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM394761;MM394761;C=CCCC(=CC)C(=N)N;DEDOFAKUQWFGIR-UHFFFAOYSA-N;138.21;1.83;;;;;DOPC;MDCG;27;1;"MARTINI bead: C1_P3";;;;;;;0.94;;-4.05;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM394762;MM394762;CCC(F)c1nc(=O)[nH]o1;GQSABLRSFMAJSH-UHFFFAOYSA-N;146.12;0.78;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_SP2";;;;;;;0.54;;-1.09;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM394763;MM394763;N#CCCC(=CN)C(=N)N;GBUPJVJYECCOMH-UHFFFAOYSA-N;138.17;0.07;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_P3";;;;;;;-1.1;;-8.1;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM394764;MM394764;O=c1nc(C(F)CO)o[nH]1;UNRIORNRTUHYKP-UHFFFAOYSA-N;148.09;-0.63;;;;;DOPC;MDCG;27;0;"MARTINI bead: P3_SP2";;;;;;;-2.2;;-5.19;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM394765;MM394765;C=CCCC(=CF)C(=N)N;SITFOMMJJDXXAV-UHFFFAOYSA-N;142.18;1.74;;;;;DOPC;MDCG;27;1;"MARTINI bead: P3_C1";;;;;;;0.94;;-2.89;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM394766;MM394766;O=c1nc(C(F)CF)o[nH]1;YDILVGCXCWAKLB-UHFFFAOYSA-N;150.08;0.34;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_SP2";;;;;;;-0.24;;-3.24;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM394767;MM394767;C=C(F)C(=N)NC=NNC;ZAKKBBFOTKHRIG-UHFFFAOYSA-N;144.15;0.2;;;;;DOPC;MDCG;27;0;"MARTINI bead: P3_C5";;;;;;;-0.33;;-2.01;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM394768;MM394768;C=CC(F)c1nc(=O)[nH]o1;POMSMQBJVGWQSA-UHFFFAOYSA-N;144.11;0.56;;;;;DOPC;MDCG;27;0;"MARTINI bead: N0_SP2";;;;;;;0.06;;-2.21;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM394769;MM394769;CCCC=CC(C)C(C)O;WBDKCDWBUOMSLX-UHFFFAOYSA-N;142.24;2.36;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1_P1";;;;;;;2.08;;0.48;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM394770;MM394770;O=CC(F)c1nc(=O)[nH]o1;HVQQVYDJHUFXKE-UHFFFAOYSA-N;146.08;-0.43;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_SP2";;;;;;;-1.34;;-4.31;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM394771;MM394771;NC(=O)C(=CF)CCC=O;FKSNYUOWCSWGCV-UHFFFAOYSA-N;145.13;0.3;;;;;DOPC;MDCG;27;0;"MARTINI bead: P3_C5";;;;;;;-0.33;;-2.01;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM394772;MM394772;O=C(O)C(=O)COCCO;XGXBGSZAMONBRS-UHFFFAOYSA-N;148.11;-1.35;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_P2";;;;;;;-1.34;;-8.76;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM394773;MM394773;C=CCCC(=CC)C(=O)O;VJGUSTPFVLRBKN-UHFFFAOYSA-N;140.18;1.98;;;;;DOPC;MDCG;27;-1;"MARTINI bead: C5_C4";;;;;;;2.97;;0.07;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM394774;MM394774;C#Cc1noc(O)c1F;IULMUXBBVFYOTG-UHFFFAOYSA-N;127.07;0.5;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNda_SNa";;;;;;;0.87;;-6.55;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM394775;MM394775;CNc1cc(O)on1;DLMDWVSOIRTICC-UHFFFAOYSA-N;114.1;0.42;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNda_SNda";;;;;;;0.87;;-6.16;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM394776;MM394776;N=Cn1nc(O)n(O)c1=O;AWNZFAWYUNDUEL-UHFFFAOYSA-N;144.09;-1.56;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP2_SP3";;;;;;;-2.2;;-9.34;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM394777;MM394777;CNn1oc(O)nc1=O;LFUYXEJDXAWZQY-UHFFFAOYSA-N;131.09;-1.28;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP2_SP1";;;;;;;-1.06;;-7.86;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM394778;MM394778;C#Cc1n[nH]c(=NO)o1;SRYYMRVHUJEGBG-UHFFFAOYSA-N;125.09;-0.73;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP3_SP1";;;;;;;-1.93;;-8.83;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM394779;MM394779;C=C(F)C(=CC)CCC=O;VXSVPNOHNCJBJV-UHFFFAOYSA-N;142.17;2.4;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1_Na";;;;;;;2.91;;0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM394780;MM394780;OCC(F)C(CF)=NO;CXQRERYBOWRSGG-UHFFFAOYSA-N;139.1;0.12;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_Na";;;;;;;-0.24;;-7.7;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM394781;MM394781;CC(O)C(C)C=CCCF;SWTBEHBBWFYGEH-UHFFFAOYSA-N;146.21;1.92;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda_C4";;;;;;;2.2;;0.49;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM394782;MM394782;N#CC(F)(C=NO)C=NO;RUBRCVGVXIIUNO-UHFFFAOYSA-N;145.09;0.14;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_Nda";;;;;;;0.04;;-7.23;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM394783;MM394783;C=C(C)C(CCC=O)=NO;YXRHCMVQOVTZJP-UHFFFAOYSA-N;141.17;1.37;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4_P3";;;;;;;0.23;;-1.03;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM394784;MM394784;COC=C(C)C#CC(=O)O;CYICMVCYLOSRRG-UHFFFAOYSA-N;140.14;0.62;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_P1";;;;;;;0.81;;-5;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM394785;MM394785;C=CCC=CC(C)C(C)O;IAKSYYIZBSVUBN-UHFFFAOYSA-N;140.23;2.14;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_C1";;;;;;;2.08;;0.48;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM394786;MM394786;C=c1ccc(=C(C)CN)o1;WXHOVKQBIKLYPX-UHFFFAOYSA-N;137.18;-0.18;;;;;DOPC;MDCG;27;1;"MARTINI bead: SNd_SN0";;;;;;;1.17;;-2.86;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM394787;MM394787;C=CCCC(=NO)C(N)=O;PDXBXNAZZJVWCB-UHFFFAOYSA-N;142.16;0.27;;;;;DOPC;MDCG;27;0;"MARTINI bead: P3_C5";;;;;;;-0.33;;-2.01;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM394788;MM394788;C=c1ccc(=C(C)CO)o1;GGPQGQWRQRBMQD-UHFFFAOYSA-N;138.17;-0.15;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNda_SN0";;;;;;;1.17;;-1.13;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM394789;MM394789;C=NN=C(NN=C)C(=O)O;QGNOMFVNSRNBGW-UHFFFAOYSA-N;142.12;-0.71;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_C4";;;;;;;1.37;;-4.01;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM394790;MM394790;C=c1ccc(=C(C)CF)o1;PMGDPMLQVPKISH-UHFFFAOYSA-N;140.16;0.83;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC5_SN0";;;;;;;1.94;;0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM394791;MM394791;C#CC1NC1CC(=O)O;BLIVRCYKUJPEGB-UHFFFAOYSA-N;125.13;-0.57;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_SP3";;;;;;;-1.93;;-8.57;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM394792;MM394792;C=c1ccc(=C(F)CC)o1;HGUBEMNZVURMMC-UHFFFAOYSA-N;140.16;1.18;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC4_SN0";;;;;;;2.5;;0.44;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM394793;MM394793;C=C(C)C(=CC)CNC=N;AOWPYXIDVTXHGX-UHFFFAOYSA-N;138.21;1.71;;;;;DOPC;MDCG;27;1;"MARTINI bead: C1_P3";;;;;;;0.94;;-3.5;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM394794;MM394794;C=CC(C)=c1ccc(=C)o1;VQBOXJHQXIFEAB-UHFFFAOYSA-N;134.18;1.05;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC3_SN0";;;;;;;2.87;;0.37;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM394795;MM394795;C=C(C)C(=CF)CNC=O;MVTZURQZZNYAPL-UHFFFAOYSA-N;143.16;1.16;;;;;DOPC;MDCG;27;0;"MARTINI bead: C2_P3";;;;;;;0.86;;-0.3;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM394796;MM394796;C=c1ccc(=C(C)C=O)o1;CPPJAKCHISPFRD-UHFFFAOYSA-N;136.15;0.06;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNa_SN0";;;;;;;1.17;;-1.18;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM394797;MM394797;CC=C(CN=CN)C(C)=O;ZNKDTEZLNGAWPE-UHFFFAOYSA-N;140.19;0.51;;;;;DOPC;MDCG;27;1;"MARTINI bead: C5_P2";;;;;;;0.54;;-4.02;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM394798;MM394798;C=c1ccc(=C(C)C#N)o1;KNHJOOGDVPLXFD-UHFFFAOYSA-N;133.15;0.38;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC5_SN0";;;;;;;1.94;;0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM394799;MM394799;CC(=O)C(=CF)CN=CN;JKXWVZDHDUGQTE-UHFFFAOYSA-N;144.15;0.42;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1_Na";;;;;;;0.04;;-5.42;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM394800;MM394800;C=CC(F)=c1ccc(=C)o1;NCLGIBCDJMQWIM-UHFFFAOYSA-N;138.14;0.95;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC4_SN0";;;;;;;2.5;;0.44;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM394801;MM394801;O=CN(C=O)CC(=O)O;OBPIZOQPBLWMGZ-UHFFFAOYSA-N;131.09;-1.31;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_P2";;;;;;;-1.06;;-7.87;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM394802;MM394802;C=c1ccc(=C(F)C=O)o1;RPFZUGUPOQWEJA-UHFFFAOYSA-N;140.11;-0.03;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNa_SN0";;;;;;;1.17;;-1.18;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM394803;MM394803;C=NNCC(=CC)C(=C)C;PKTOGQRBSUBFTQ-UHFFFAOYSA-N;138.21;1.71;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1_P2";;;;;;;1.8;;0.41;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM394804;MM394804;C=c1ccc(=C(F)C#N)o1;AZVKCMCIVRFUBP-UHFFFAOYSA-N;137.11;0.29;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC5_SN0";;;;;;;1.94;;0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM394805;MM394805;C#CCC=CC(C)C(C)O;VTAVZVGTKCJDBT-UHFFFAOYSA-N;138.21;1.58;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_C1";;;;;;;2.08;;0.48;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM394806;MM394806;C=c1cnc(=C(C)C=O)o1;IGWRAGPSTAEVKH-UHFFFAOYSA-N;137.14;-0.55;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP1_SNa";;;;;;;0.04;;-2.54;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM394807;MM394807;CNN=C(NC=O)C(=O)O;POUFJDZVHAXDPF-UHFFFAOYSA-N;145.12;-1.65;;;;;DOPC;MDCG;27;0;"MARTINI bead: P3_P1";;;;;;;-1.93;;-8.58;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM394808;MM394808;C=c1cnc(=C(C)C#N)o1;UOLZLWKEMPXYNV-UHFFFAOYSA-N;134.14;-0.22;;;;;DOPC;MDCG;27;0;"MARTINI bead: SN0_SNa";;;;;;;1.17;;-1.18;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM394809;MM394809;C=C(C)C(CNC=N)=NN;OTRPDFTUDCFNAB-UHFFFAOYSA-N;140.19;0.07;;;;;DOPC;MDCG;27;1;"MARTINI bead: C5_P3";;;;;;;-0.33;;-5.36;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM394810;MM394810;C=c1cnc(=C(F)C=O)o1;SYINDVJORPTOAH-UHFFFAOYSA-N;141.1;-0.64;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNa_SNa";;;;;;;0.87;;-2.22;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM394811;MM394811;C=CC(O)(CC)CC#CC;SMZNMTYTFZWZOF-UHFFFAOYSA-N;138.21;1.73;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_N0";;;;;;;1.94;;0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM394812;MM394812;C=c1cnc(=C(F)C#N)o1;UUNNTQAFMRVUHJ-UHFFFAOYSA-N;138.1;-0.31;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNa_SNa";;;;;;;0.87;;-2.22;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM394813;MM394813;C=C(C)C(CNC=N)=NO;MUTXEQSGACRGRI-UHFFFAOYSA-N;141.17;0.59;;;;;DOPC;MDCG;27;1;"MARTINI bead: C5_P3";;;;;;;-0.33;;-5.7;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM394814;MM394814;C#CC(C)=c1ccc(=C)o1;MXZMPMGCGPPWGX-UHFFFAOYSA-N;132.16;0.49;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC5_SN0";;;;;;;1.94;;0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM394815;MM394815;C=C(C)C(CNC=O)=NO;VJYKNNBMHRESNZ-UHFFFAOYSA-N;142.16;0.14;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_P3";;;;;;;-0.33;;-2.01;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM394816;MM394816;C#CC(F)=c1ccc(=C)o1;YROYTXDTNIRQKV-UHFFFAOYSA-N;136.13;0.4;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC5_SN0";;;;;;;1.94;;0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM394817;MM394817;N=C(N)C(CNC=O)=NN;DAXIOEZUJMRYKI-UHFFFAOYSA-N;143.15;-2.02;;;;;DOPC;MDCG;27;1;"MARTINI bead: P3_P3";;;;;;;-3.07;;-7.87;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM394818;MM394818;C=CN(C=NN)N=CC;KNZKTZXSBPIVHU-UHFFFAOYSA-N;126.16;0.34;;;;;DOPC;MDCG;27;0;"MARTINI bead: N0_P1";;;;;;;0.34;;-1.53;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM394819;MM394819;C=C(F)C(CNC=N)=NN;BMZHYHQRVNNVNQ-UHFFFAOYSA-N;144.15;-0.02;;;;;DOPC;MDCG;27;1;"MARTINI bead: P3_C5";;;;;;;-0.33;;-5.31;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM394820;MM394820;CC1CC(C#CC#N)CN1;DSKNIOZPKPJPFF-UHFFFAOYSA-N;134.18;0.51;;;;;DOPC;MDCG;27;1;"MARTINI bead: SNd_SP1";;;;;;;0.04;;-5.81;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM394821;MM394821;C=NNCC(=NN)C(=C)F;YSEBUMAYIWLKLX-UHFFFAOYSA-N;144.15;-0.01;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_C5";;;;;;;0.81;;-0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM394822;MM394822;CC1CC(C#CC#N)CO1;CVJSOSWRPVONNZ-UHFFFAOYSA-N;135.17;0.94;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNa_SN0";;;;;;;1.17;;-1.18;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM394823;MM394823;CC=C(COC=O)C(C)=O;LNKBPMNAYRGTDG-UHFFFAOYSA-N;142.15;0.69;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_P1";;;;;;;0.81;;-0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM394824;MM394824;CC1CCC(C#CC#N)N1;IOVPBMFOPAEGGH-UHFFFAOYSA-N;134.18;0.65;;;;;DOPC;MDCG;27;1;"MARTINI bead: SN0_SNd";;;;;;;1.17;;-2.44;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM394825;MM394825;C=CC(C)(C=CC=O)CO;DDGRCOSSFKFYOX-UHFFFAOYSA-N;140.18;0.93;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda_Na";;;;;;;0.87;;-1.99;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM394826;MM394826;C#CC#CC1CCC(C)C1;UEBFCERWHIVCBV-UHFFFAOYSA-N;132.21;2.06;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC3_SC3";;;;;;;4.27;;0.2;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM394827;MM394827;C=CC1=CCC(C)(O)C=C1;ASUNABNGHPFHFS-UHFFFAOYSA-N;136.19;1.81;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNda_SC3";;;;;;;2.57;;0.44;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM394828;MM394828;C#CC#CC1CCC(N)C1;XEFUUZLSOZAUKT-UHFFFAOYSA-N;133.19;0.75;;;;;DOPC;MDCG;27;1;"MARTINI bead: SNd_SC3";;;;;;;2.57;;-1.72;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM394829;MM394829;C#CC(=COC)C(=O)O;OHZSTBGFRLVCLP-UHFFFAOYSA-N;126.11;0.23;;;;;DOPC;MDCG;27;0;"MARTINI bead: N0_P1";;;;;;;0.34;;-5.61;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM394830;MM394830;C=NN=C(CCC)NN;WMQUTDYUTFQNAS-UHFFFAOYSA-N;128.18;0.26;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_P1";;;;;;;0.81;;-0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM394831;MM394831;CN=C(NC=O)C(=O)O;YTUFQFKEFGGGSP-UHFFFAOYSA-N;130.1;-1.15;;;;;DOPC;MDCG;27;0;"MARTINI bead: P3_Nda";;;;;;;-1.1;;-7.89;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM394832;MM394832;C#CC#CC1CNC(C)C1;OJDIYKQYGHEHOY-UHFFFAOYSA-N;133.19;0.62;;;;;DOPC;MDCG;27;1;"MARTINI bead: SNd_SN0";;;;;;;1.17;;-4.37;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM394833;MM394833;C=NOCC(=NN)C(=N)N;LITOIOMYLAJZDZ-UHFFFAOYSA-N;143.15;-1.13;;;;;DOPC;MDCG;27;1;"MARTINI bead: P2_P1";;;;;;;-1.06;;-5.31;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM394834;MM394834;C#CC#CC1COC(C)C1;MQYAJBYNKRVVCH-UHFFFAOYSA-N;134.18;1.05;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNa_SN0";;;;;;;1.17;;-1.18;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM394835;MM394835;CC(=O)C(=NO)NCC#N;VCBDXQAUNGYVJC-UHFFFAOYSA-N;141.13;-0.52;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_P2";;;;;;;-0.24;;-3.24;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM394836;MM394836;C#CC#CC1CC(C)CN1;RTSHQQIEIOJZJX-UHFFFAOYSA-N;133.19;0.62;;;;;DOPC;MDCG;27;1;"MARTINI bead: SN0_SNd";;;;;;;1.17;;-3.54;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM394837;MM394837;CN=C(NCC=O)C(=N)N;USWIPJUQVTWOOG-UHFFFAOYSA-N;142.16;-1.26;;;;;DOPC;MDCG;27;1;"MARTINI bead: P3_Na";;;;;;;-1.1;;-7.46;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM394838;MM394838;C#CC#CC1CC(N)CN1;IYQLMYRURMXOAS-UHFFFAOYSA-N;134.18;-0.69;;;;;DOPC;MDCG;27;1;"MARTINI bead: SP2_SNd";;;;;;;-0.24;;-5.49;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM394839;MM394839;N=C(N)C(=NO)NCC=O;JDPGMXZLLPVJIK-UHFFFAOYSA-N;144.13;-1.5;;;;;DOPC;MDCG;27;1;"MARTINI bead: P4_Na";;;;;;;-1.19;;-6.83;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM394840;MM394840;C#CC#CC1CC(O)CN1;RKAJSQMCYGBVOO-UHFFFAOYSA-N;135.17;-0.65;;;;;DOPC;MDCG;27;1;"MARTINI bead: SP2_SNd";;;;;;;-0.24;;-4.83;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM394841;MM394841;NC(=O)C(=NO)NCC=O;HENLGKBZZFCXBA-UHFFFAOYSA-N;145.12;-1.95;;;;;DOPC;MDCG;27;0;"MARTINI bead: P4_Na";;;;;;;-1.19;;-4.76;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM394842;MM394842;C#CC#CC1CC(C)CO1;WNJIUQSOZMBCIY-UHFFFAOYSA-N;134.18;1.05;;;;;DOPC;MDCG;27;0;"MARTINI bead: SN0_SC5";;;;;;;1.94;;0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM394843;MM394843;O=CN(O)CC(O)C(=O)O;DJWMSPVBKLGPPI-UHFFFAOYSA-N;149.1;-1.72;;;;;DOPC;MDCG;27;0;"MARTINI bead: P3_P2";;;;;;;-2.2;;-9.07;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM394844;MM394844;C#CC#CC1CCC(C)N1;IBXONMVTKOJGRU-UHFFFAOYSA-N;133.19;0.76;;;;;DOPC;MDCG;27;1;"MARTINI bead: SN0_SNd";;;;;;;1.17;;-3.5;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM394845;MM394845;C=C(F)C(=NO)NCC#N;ACNTZMMOKAZXMR-UHFFFAOYSA-N;143.12;0.37;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_C5";;;;;;;0.54;;-1.09;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM394846;MM394846;C=C1CCC(C#CC#N)C1;PQHWCQDEFXGSDE-UHFFFAOYSA-N;131.18;1.87;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC4_SC4";;;;;;;3.53;;0.53;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM394847;MM394847;C#CC1CCC(C)(CO)C1;NGDNVWBWUKVVJB-UHFFFAOYSA-N;138.21;1.42;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC5_SC4";;;;;;;2.97;;0.45;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM394848;MM394848;N#CC#CC1CNC(=N)C1;VGBLCAABNOEEJB-UHFFFAOYSA-N;133.15;0.1;;;;;DOPC;MDCG;27;1;"MARTINI bead: SNd_SP1";;;;;;;0.04;;-7.11;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM394849;MM394849;N=CNNC(=NN)C(=N)N;ZEPJANCYFVBLMZ-UHFFFAOYSA-N;143.15;-2.1;;;;;DOPC;MDCG;27;1;"MARTINI bead: P4_P2";;;;;;;-2.29;;-8.46;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM394850;MM394850;N#CC#CC1CNC(=O)C1;VBBWIYLKGNSBQS-UHFFFAOYSA-N;134.14;-0.35;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP2_SP1";;;;;;;-1.06;;-3.82;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM394851;MM394851;N=C(N)C(=NO)NNC=O;GXCJBWVPOWJIJU-UHFFFAOYSA-N;145.12;-2.04;;;;;DOPC;MDCG;27;1;"MARTINI bead: P3_P4";;;;;;;-3.15;;-8.44;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM394852;MM394852;C=C1CC(C#CC#N)CO1;FJYDDDXTNZXLBT-UHFFFAOYSA-N;133.15;1.06;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNa_SN0";;;;;;;1.17;;-1.18;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM394853;MM394853;CC=C1C=CC(C)(CO)C1;REZFFMZDGDBGLJ-UHFFFAOYSA-N;138.21;1.89;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC3_SNda";;;;;;;2.57;;0.44;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM394854;MM394854;C#CC#CC1CCC(=C)C1;IYWOCOCZRWSFBP-UHFFFAOYSA-N;130.19;1.98;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC4_SC3";;;;;;;3.9;;0.47;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM394855;MM394855;N=CNNC(=NO)C(N)=O;LVVJPAUGPGJBLY-UHFFFAOYSA-N;145.12;-2.04;;;;;DOPC;MDCG;27;1;"MARTINI bead: P3_P4";;;;;;;-3.15;;-8.75;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM394856;MM394856;C#CC#CC1CCC(=O)C1;HUCZGVLZOQYRSY-UHFFFAOYSA-N;132.16;0.99;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNa_SC3";;;;;;;2.57;;0.45;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM394857;MM394857;NC(=O)C(=NO)NNC=O;LFEWIFQOLVNIMW-UHFFFAOYSA-N;146.11;-2.49;;;;;DOPC;MDCG;27;0;"MARTINI bead: P3_P4";;;;;;;-3.15;;-6.87;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM394858;MM394858;C#CC#CC1CNC(=N)C1;RQSNAJMELHUGCA-UHFFFAOYSA-N;132.17;0.21;;;;;DOPC;MDCG;27;1;"MARTINI bead: SNd_SN0";;;;;;;1.17;;-5.57;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM394859;MM394859;C=C(F)C(=NO)NNC=N;WOWUCQWSINBREG-UHFFFAOYSA-N;146.13;-0.04;;;;;DOPC;MDCG;27;1;"MARTINI bead: P4_C5";;;;;;;-0.41;;-4.63;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM394860;MM394860;C#CC#CC1CNC(=O)C1;IGMMREYIWLEDTE-UHFFFAOYSA-N;133.15;-0.24;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP2_SN0";;;;;;;0.06;;-2.21;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM394861;MM394861;CC1(CO)C=CC(=CF)C1;JWIAVVMLCORPBZ-UHFFFAOYSA-N;142.17;1.8;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNda_SC4";;;;;;;2.2;;0.49;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM394862;MM394862;C#CC#CC1COC(=C)C1;PAQFJIRCMJOGJQ-UHFFFAOYSA-N;132.16;1.17;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNa_SN0";;;;;;;1.17;;-1.18;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM394863;MM394863;CCC(C)NC(=NN)OC;LRDCAHHTSGNATB-UHFFFAOYSA-N;145.21;0.25;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_P1";;;;;;;0.81;;-0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM394864;MM394864;C#CC#CC1COC(=O)C1;ZGBLXTPYGGCOQK-UHFFFAOYSA-N;134.13;0.19;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNa_SN0";;;;;;;1.17;;-1.18;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM394865;MM394865;C=CC(C)NC(=NN)OC;GZZBQCHGRNDSQI-UHFFFAOYSA-N;143.19;0.03;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_N0";;;;;;;0.34;;-1.53;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM394866;MM394866;C#CC#CC1CC(=N)NN1;LIKUEZDJLHBEHF-UHFFFAOYSA-N;133.15;-0.53;;;;;DOPC;MDCG;27;1;"MARTINI bead: SP3_SP1";;;;;;;-1.93;;-7.58;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM394867;MM394867;N=C(N)C(=NN)NOC=O;BAEHKBVNHVFSRF-UHFFFAOYSA-N;145.12;-2.13;;;;;DOPC;MDCG;27;1;"MARTINI bead: P4_P1";;;;;;;-2.01;;-6.86;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM394868;MM394868;C#CC#CC1CC(=O)NN1;HRGPJFQVFNHYFY-UHFFFAOYSA-N;134.14;-0.98;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP3_SP1";;;;;;;-1.93;;-4.72;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM394869;MM394869;COC(=NN)NCC(C)F;ITKWXIYDELQZBL-UHFFFAOYSA-N;149.17;-0.19;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_C5";;;;;;;0.54;;-1.09;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM394870;MM394870;C#CC#CC1CC(=C)CO1;VLQUMFWBGYKJAB-UHFFFAOYSA-N;132.16;0.97;;;;;DOPC;MDCG;27;0;"MARTINI bead: SN0_SC5";;;;;;;1.94;;0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM394871;MM394871;NC(=O)C(=NOC=O)NO;VEDHXNPMVGSVPE-UHFFFAOYSA-N;147.09;-2.06;;;;;DOPC;MDCG;27;0;"MARTINI bead: P4_P1";;;;;;;-2.01;;-5.13;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM394872;MM394872;C#CC#CC1CC(=O)CO1;LYERERDYITYSHF-UHFFFAOYSA-N;134.13;-0.02;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP1_SC5";;;;;;;0.81;;-0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM394873;MM394873;C=CCOC(=CN)C(C)=O;YYXYJMDFSMKEKD-UHFFFAOYSA-N;141.17;0.58;;;;;DOPC;MDCG;27;0;"MARTINI bead: P3_C4";;;;;;;0.23;;-1.03;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM394874;MM394874;C#CC#CC1CCC(=N)N1;JFDHCHIEXWNVNX-UHFFFAOYSA-N;132.17;0.35;;;;;DOPC;MDCG;27;1;"MARTINI bead: SNd_SN0";;;;;;;1.17;;-4.31;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM394875;MM394875;CC(=O)C(=CN)OCC=O;MFCGDVMIGKAXAC-UHFFFAOYSA-N;143.14;-0.41;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_P2";;;;;;;-0.24;;-3.24;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM394876;MM394876;C#CC#CC1CCC(=O)N1;VHDCHLMWTGETKO-UHFFFAOYSA-N;133.15;-0.1;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP2_SN0";;;;;;;0.06;;-2.21;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM394877;MM394877;C#CC#CC1CNC(=N)N1;DYGZPAYSWDBCNN-UHFFFAOYSA-N;133.15;-0.88;;;;;DOPC;MDCG;27;1;"MARTINI bead: SP2_SP2";;;;;;;-1.34;;-7.75;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM394878;MM394878;N=C(N)C(=CN)OCC=O;TVWGVHQTOXTSOJ-UHFFFAOYSA-N;143.15;-1.06;;;;;DOPC;MDCG;27;1;"MARTINI bead: P3_Na";;;;;;;-1.1;;-8.04;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM394879;MM394879;N=C(N)C(=CF)OCC=O;FWYMXULFZLIQFD-UHFFFAOYSA-N;146.12;-0.05;;;;;DOPC;MDCG;27;1;"MARTINI bead: P2_Na";;;;;;;-0.24;;-6.11;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM394880;MM394880;C#CC#CC1CNC(=O)N1;NQRAHGVLPGKGLC-UHFFFAOYSA-N;134.14;-0.7;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP3_SP2";;;;;;;-2.2;;-5.19;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM394881;MM394881;C#CC#CC1CCC(=C)O1;ZTGVVYDFTNLSKZ-UHFFFAOYSA-N;132.16;1.32;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNa_SC5";;;;;;;1.64;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM394882;MM394882;NC=C(OCC=O)C(N)=O;HVVNOHROFXTVPT-UHFFFAOYSA-N;144.13;-1.51;;;;;DOPC;MDCG;27;0;"MARTINI bead: P4_Na";;;;;;;-1.19;;-4.76;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM394883;MM394883;CC(C)CONC(=O)C=O;CBWIVZRCEDZQSM-UHFFFAOYSA-N;145.16;-0.11;;;;;DOPC;MDCG;27;0;"MARTINI bead: C3_P3";;;;;;;0.6;;-4.83;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM394884;MM394884;N#CC(=NO)C(=O)CC=O;CSDSBTOMXHUTHH-UHFFFAOYSA-N;140.1;-0.5;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_Na";;;;;;;-0.24;;-7.29;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM394885;MM394885;C=CCCONC(=O)C=O;JAKBJIIVDHALPB-UHFFFAOYSA-N;143.14;-0.19;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda_P2";;;;;;;-0.24;;-7.75;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM394886;MM394886;NC(=O)C(=NO)OCC=O;URUZUQCYFCTNBL-UHFFFAOYSA-N;146.1;-1.53;;;;;DOPC;MDCG;27;0;"MARTINI bead: P3_Na";;;;;;;-1.1;;-4.2;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM394887;MM394887;O=CCCONC(=O)C=O;LGEUJNLBBZKOQK-UHFFFAOYSA-N;145.11;-1.18;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_Na";;;;;;;-0.24;;-7.71;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM394888;MM394888;O=C(O)C=C(CO)C(=O)O;STHTXXUMGAISCI-UHFFFAOYSA-N;146.1;-0.93;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_P1";;;;;;;-0.79;;-7.22;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM394889;MM394889;C#CCCONC(=O)C=O;IIYWRVZIFYARMF-UHFFFAOYSA-N;141.13;-0.74;;;;;DOPC;MDCG;27;0;"MARTINI bead: P3_C5";;;;;;;-0.33;;-6.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM394890;MM394890;Cn1c(=N)onc(O)c1=O;CBRNUGBQWVLXSB-UHFFFAOYSA-N;143.1;-1.44;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP2_SP3";;;;;;;-2.2;;-9.07;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM394891;MM394891;CCONC(=O)C=O;VUWSBWGIYVQRKL-UHFFFAOYSA-N;117.1;-0.75;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_P3";;;;;;;-0.33;;-6.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM394892;MM394892;C#CCCC(=CC)C(C)=O;DAXSCIOEIUPMHT-UHFFFAOYSA-N;136.19;1.94;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_N0";;;;;;;1.94;;0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM394893;MM394893;CCOCC#CC(=O)O;DRDPGZLWOIGRPB-UHFFFAOYSA-N;128.13;0.11;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_P1";;;;;;;0.81;;-5;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM394894;MM394894;C#CCCC(=CN)C(C)=O;BAMWQCLOSRGZKQ-UHFFFAOYSA-N;137.18;0.83;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_N0";;;;;;;0.34;;-1.53;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM394895;MM394895;C#CC1=CC(=CO)N=N1;OWABRQJOFVTBAS-UHFFFAOYSA-N;120.11;1.37;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNda_SN0";;;;;;;1.17;;-5.68;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM394896;MM394896;C#CCCC(=CF)C(N)=O;ZARGXCYWEXPGDT-UHFFFAOYSA-N;141.15;0.74;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_N0";;;;;;;0.34;;-1.53;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM394897;MM394897;CNC(=O)NN=CC(=O)O;QZFXGMYDQIGCHO-UHFFFAOYSA-N;145.12;-1.01;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_P1";;;;;;;-0.79;;-7.67;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM394898;MM394898;C#CCCC(=CC)C(=O)O;URQWFXGQKISXHD-UHFFFAOYSA-N;138.17;1.43;;;;;DOPC;MDCG;27;-1;"MARTINI bead: C5_N0";;;;;;;1.94;;-1.6;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM394899;MM394899;COC(CO)C(=O)C(=O)O;AJYDLJMBBDQRST-UHFFFAOYSA-N;148.11;-1.35;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_P2";;;;;;;-1.34;;-8.77;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM394900;MM394900;C#CCCC(=NO)C(=C)C;VQGJTAJQGYEYBS-UHFFFAOYSA-N;137.18;1.81;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_N0";;;;;;;1.94;;0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM394901;MM394901;C=CC(=O)NN=CC(=O)O;QFLJQAWJOGYAIC-UHFFFAOYSA-N;142.11;-0.64;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_P2";;;;;;;-1.06;;-8.27;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM394902;MM394902;C#CCNC(=NO)C(=N)N;NIULGGMDRXBSLD-UHFFFAOYSA-N;140.15;-1.07;;;;;DOPC;MDCG;27;1;"MARTINI bead: P4_N0";;;;;;;-0.88;;-5.81;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM394903;MM394903;CC#Cc1n[nH]c(=NO)o1;OGSIBIRYQBXBJQ-UHFFFAOYSA-N;139.11;-0.34;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNda_SP3";;;;;;;-1.1;;-8.18;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM394904;MM394904;C=C(F)CNC(=NN)OC;XFWJAZSNOQVBDK-UHFFFAOYSA-N;147.15;-0.06;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_C5";;;;;;;0.54;;-1.09;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM394905;MM394905;CCNN=c1o[nH]c(=O)o1;DMGSGUNJANQWTL-UHFFFAOYSA-N;145.12;-1.01;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_SP2";;;;;;;-1.06;;-3.82;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM394906;MM394906;C#CCNC(=NO)C(N)=O;TUKFUSBYKKGCQN-UHFFFAOYSA-N;141.13;-1.52;;;;;DOPC;MDCG;27;0;"MARTINI bead: P4_N0";;;;;;;-0.88;;-3.74;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM394907;MM394907;C#Cc1n[nH]nc1O;AUOALHSQNSJHCV-UHFFFAOYSA-N;109.09;-0.51;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP2_SP1";;;;;;;-1.06;;-8.27;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM394908;MM394908;C#CC1(C=O)CC(C=O)N1;WXFGJDXHPFESLB-UHFFFAOYSA-N;137.14;-0.88;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP2_SP2";;;;;;;-1.34;;-4.31;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM394909;MM394909;COC(OC=NO)C(=O)O;QRSUYBWNWRJJCF-UHFFFAOYSA-N;149.1;-0.52;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_P1";;;;;;;-1.06;;-8.27;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM394910;MM394910;C#CCOC(=CN)C(C)=O;ULJYOBHUKMYZLL-UHFFFAOYSA-N;139.15;0.03;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_P1";;;;;;;0.04;;-2.54;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM394911;MM394911;NN=COC(N)=CC(=O)O;PYMTXUPLBPGJOS-UHFFFAOYSA-N;145.12;-1.21;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_P1";;;;;;;-0.79;;-7.67;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM394912;MM394912;C#CCOC(=CC)C(=N)N;BFGRAPQHSOPAGC-UHFFFAOYSA-N;138.17;0.48;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1_N0";;;;;;;0.34;;-5.89;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM394913;MM394913;C#CC(=O)N(N)CC(=O)O;BHZBKEHXSCODSZ-UHFFFAOYSA-N;142.11;-1.59;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_P1";;;;;;;-0.79;;-7.67;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM394914;MM394914;C#CCOC(=CN)C(=N)N;ILTRETJRPNNVGC-UHFFFAOYSA-N;139.16;-0.63;;;;;DOPC;MDCG;27;1;"MARTINI bead: P3_N0";;;;;;;-0.8;;-6.82;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM394915;MM394915;Cn1c(O)noc(=O)c1=O;YAYXMMUHLUPNSC-UHFFFAOYSA-N;144.09;-1.56;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP3_SP3";;;;;;;-3.07;;-10.12;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM394916;MM394916;C#CCOC(=CC)C(N)=O;RYRMOEXFCWEFSR-UHFFFAOYSA-N;139.15;0.03;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_N0";;;;;;;0.34;;-1.53;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM394917;MM394917;O=c1nnc(=O)c(O)no1;ZWVSCFLWNRMKTR-UHFFFAOYSA-N;143.06;-2.11;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP3_SP3";;;;;;;-3.07;;-10.12;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM394918;MM394918;C#CCOC(=CN)C(N)=O;LAPXLKRIGXBUNS-UHFFFAOYSA-N;140.14;-1.08;;;;;DOPC;MDCG;27;0;"MARTINI bead: P4_N0";;;;;;;-0.88;;-3.74;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM394919;MM394919;O=CC(=O)NOCC=CF;XKHDXFBOWNQRCG-UHFFFAOYSA-N;147.11;-0.28;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4_P3";;;;;;;0.23;;-5.35;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM394920;MM394920;C#CCOC(=NN)C(=N)N;HNUXEPDISWKXRP-UHFFFAOYSA-N;140.15;-1.16;;;;;DOPC;MDCG;27;1;"MARTINI bead: P4_N0";;;;;;;-0.88;;-4.78;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM394921;MM394921;O=CC(=O)NOCCF;ZGTVQQUUJWLUKA-UHFFFAOYSA-N;135.09;-0.8;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_P3";;;;;;;-0.33;;-6.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM394922;MM394922;C#CCOC(=NN)C(N)=O;DDHBYHOGDYUCCA-UHFFFAOYSA-N;141.13;-1.61;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda_P3";;;;;;;-1.1;;-3.97;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM394923;MM394923;CC(F)CONC(=O)C=O;PFUMXMURSKVRCN-UHFFFAOYSA-N;149.12;-0.41;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_P3";;;;;;;-0.33;;-6.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM394924;MM394924;C#CCOC(=NO)C(N)=O;OJKBRJGOBYZVMB-UHFFFAOYSA-N;142.11;-1.09;;;;;DOPC;MDCG;27;0;"MARTINI bead: P3_Nda";;;;;;;-1.1;;-3.97;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM394925;MM394925;CCC(C)ONC(=O)C=O;IMRKIVURRALYSP-UHFFFAOYSA-N;145.16;0.03;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_P2";;;;;;;0.54;;-5.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM394926;MM394926;CNC1(C#N)CCC(=O)C1;XLSSXYRISQVYAL-UHFFFAOYSA-N;138.17;0.22;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNd_SNa";;;;;;;0.87;;-1.88;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM394927;MM394927;CCC(O)C#CC(=O)O;IZCNBNCALXUGHN-UHFFFAOYSA-N;128.13;-0.15;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda_P1";;;;;;;0.04;;-7.25;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM394928;MM394928;CC=C(CC=CF)C(C)N;SMQSDXOSJFPRMS-UHFFFAOYSA-N;143.21;2.15;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_C4";;;;;;;2.2;;-1.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM394929;MM394929;CC(O)(CO)C(=O)C(=O)O;VMGIJWHLCYGEAE-UHFFFAOYSA-N;148.11;-1.62;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_P1";;;;;;;-1.06;;-8.28;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM394930;MM394930;CC=CCC(=CF)C(C)N;RPLOENZNGAOJAU-UHFFFAOYSA-N;143.21;2.15;;;;;DOPC;MDCG;27;1;"MARTINI bead: C2_Nda";;;;;;;2.83;;-0.45;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM394931;MM394931;O=c1c(=NO)o[nH]n1O;SWWDANYTLWPWJU-UHFFFAOYSA-N;133.06;-1.7;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP2_SP2";;;;;;;-1.34;;-8.78;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM394932;MM394932;CC(N)C(=CF)CC=CF;PVVCMPGQKYBFOV-UHFFFAOYSA-N;147.17;2.06;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1_C3";;;;;;;1.74;;-1.72;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM394933;MM394933;NN=COC(=NN)C(=O)O;FUIGOSBIIDIISZ-UHFFFAOYSA-N;146.11;-1.74;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_P1";;;;;;;-1.06;;-8.28;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM394934;MM394934;CC=C(CC=CF)C(F)F;JZWQFDOVEAJKNS-UHFFFAOYSA-N;150.14;3.07;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4_C4";;;;;;;3.53;;0.53;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM394935;MM394935;C=C(C)N(C=NN)OC;NKNNMIKFVXLBDR-UHFFFAOYSA-N;129.16;0.29;;;;;DOPC;MDCG;27;0;"MARTINI bead: P3_C4";;;;;;;0.23;;-1.03;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM394936;MM394936;CC(C)C(=CF)CC=NO;HBSMPAYHTCITGU-UHFFFAOYSA-N;145.18;2.35;;;;;DOPC;MDCG;27;0;"MARTINI bead: C3_P1";;;;;;;1.74;;0.29;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM394937;MM394937;O=CNN=c1o[nH]c(=O)o1;ACRXUHAGNZZGME-UHFFFAOYSA-N;145.07;-1.88;;;;;DOPC;MDCG;27;0;"MARTINI bead: P3_SP2";;;;;;;-2.2;;-5.19;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM394938;MM394938;CC=CCC(=NN)C(C)C;OVTQXXXJSPIYLB-UHFFFAOYSA-N;140.23;1.92;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4_C3";;;;;;;3.9;;0.47;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM394939;MM394939;ON=c1ncc(O)no1;IRITWCIJMSNRLT-UHFFFAOYSA-N;129.08;-0.93;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP3_SP3";;;;;;;-3.07;;-10.12;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM394940;MM394940;CC(C)C(CC=CF)=NN;ZQECCMJIICTRJL-UHFFFAOYSA-N;144.19;1.83;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nd_C4";;;;;;;2.2;;0.32;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM394941;MM394941;C#CCc1noc(=NN)[nH]1;GUVVFYSICDKZPR-UHFFFAOYSA-N;138.13;-1.05;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP3_SNda";;;;;;;-1.1;;-8.18;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM394942;MM394942;C#CCc1cc(O)[nH]n1;FSVBVUJDUFXNOM-UHFFFAOYSA-N;122.13;0.29;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP1_SNda";;;;;;;0.04;;-7.25;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM394943;MM394943;CC=CCC(=NN)C(C)F;JBHCOBXWDUQHDK-UHFFFAOYSA-N;144.19;1.63;;;;;DOPC;MDCG;27;0;"MARTINI bead: C2_Nda";;;;;;;2.83;;0.57;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM394944;MM394944;N=c1[nH]oc(=NC=NO)[nH]1;DWEHMSFWBKCFIQ-UHFFFAOYSA-N;143.11;-1.27;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_SP3";;;;;;;-1.93;;-4.72;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM394945;MM394945;CC(C)C(CC=NN)=NN;WHNINADLRXOVBX-UHFFFAOYSA-N;142.21;0.29;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nd_Nd";;;;;;;0.87;;-2.11;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM394946;MM394946;C=CC(N)=C(OC)C(=O)O;GCXWWZIQUCBANU-UHFFFAOYSA-N;143.14;0.07;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_N0";;;;;;;0.34;;-6.07;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM394947;MM394947;CC(C)C(CC=NO)=NN;IWWNUVPJWVNQGH-UHFFFAOYSA-N;143.19;0.81;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_P1";;;;;;;0.81;;-0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM394948;MM394948;CC1=NC(=CO)C=C1O;MUZPQIXFWFHDAF-UHFFFAOYSA-N;125.13;1.3;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNda_SNda";;;;;;;0.87;;-6.64;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM394949;MM394949;CC(O)C(CC=NO)=NN;RRGYNFGHWXCJGC-UHFFFAOYSA-N;145.16;-0.47;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_P1";;;;;;;-0.79;;-3.13;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM394950;MM394950;O=c1[nH]oc(=NC=NO)[nH]1;VMFNBYCICYJLRY-UHFFFAOYSA-N;144.09;-1.39;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_SP3";;;;;;;-1.93;;-4.72;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM394951;MM394951;C#CC1CC1C(C)(C)CO;SJAZQKGXZPTGFY-UHFFFAOYSA-N;138.21;1.27;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda_SC5";;;;;;;1.64;;0.05;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM394952;MM394952;C#CC(C)NC(=O)C(=O)O;FQHXOPZBCHHJGU-UHFFFAOYSA-N;141.13;-0.79;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_P3";;;;;;;-0.33;;-6.07;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM394953;MM394953;NN=C(CC=NO)C(F)F;BNGQSJRETCDIDY-UHFFFAOYSA-N;151.12;0.42;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_N0";;;;;;;0.34;;-1.53;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM394954;MM394954;NNC=Cc1coc(=O)o1;OXKYMWRYBRCRDV-UHFFFAOYSA-N;142.11;-0.33;;;;;DOPC;MDCG;27;0;"MARTINI bead: P3_SP1";;;;;;;-1.93;;-4.72;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM394955;MM394955;COC(=NO)OCC(=O)O;NQUJKBFWJZEMMA-UHFFFAOYSA-N;149.1;-0.52;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_P1";;;;;;;-0.79;;-7.22;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM394956;MM394956;C#CC(=O)N(O)CC(=O)O;YKIAXXNUMFQVPI-UHFFFAOYSA-N;143.1;-1.08;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_P1";;;;;;;-0.79;;-7.69;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM394957;MM394957;CC=C(N=CNN)C(C)C;OGTNXEVDGZBNHN-UHFFFAOYSA-N;141.22;1.04;;;;;DOPC;MDCG;27;1;"MARTINI bead: C1_P4";;;;;;;0.85;;-2.25;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM394958;MM394958;N=c1nnc(=O)[nH]c(O)n1;BLRGFCSHVOXORS-UHFFFAOYSA-N;141.09;-2.26;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP4_SP4";;;;;;;-3.24;;-11.03;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM394959;MM394959;CN=C(NC=CF)C(C)C;DUSXHGMLSMLBJW-UHFFFAOYSA-N;144.19;1.7;;;;;DOPC;MDCG;27;1;"MARTINI bead: C4_Nda";;;;;;;2.2;;-1.63;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM394960;MM394960;O=c1o[nH]c(=NC=NO)o1;XPRILMBMOZNTTB-UHFFFAOYSA-N;145.07;-1.12;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_SP2";;;;;;;-1.06;;-3.82;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM394961;MM394961;CC=COC(=O)C=NNC;OYJMREWAMAUOJR-UHFFFAOYSA-N;142.16;0.27;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_C5";;;;;;;0.54;;-1.09;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM394962;MM394962;CC(C)(C)ONC(=O)C=O;KQBVDMAFSZFCEN-UHFFFAOYSA-N;145.16;0.03;;;;;DOPC;MDCG;27;0;"MARTINI bead: C3_P3";;;;;;;0.6;;-4.84;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM394963;MM394963;CC(C)C(N=CNO)=NO;OYZOGJYJUKQOSD-UHFFFAOYSA-N;145.16;0.44;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_P4";;;;;;;-0.41;;-2.78;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM394964;MM394964;CC#CCN(N)C=NNC;NQWYACNNIODOMY-UHFFFAOYSA-N;140.19;-0.65;;;;;DOPC;MDCG;27;0;"MARTINI bead: P3_C4";;;;;;;0.23;;-1.03;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM394965;MM394965;CC(CF)ONC(=O)C=O;IJZJAGSJMMSCDZ-UHFFFAOYSA-N;149.12;-0.41;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_P2";;;;;;;-0.24;;-7.73;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM394966;MM394966;CNN=CN(C)C=NC=N;RAMMIWASRNVCDT-UHFFFAOYSA-N;141.18;-0.28;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_P2";;;;;;;-1.34;;-4.31;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM394967;MM394967;CC=NN=c1o[nH]c(=O)o1;AZWCGJFMXKFXQE-UHFFFAOYSA-N;143.1;-0.53;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_SP2";;;;;;;-1.06;;-3.82;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM394968;MM394968;CNN=CN(C)C(=N)CF;JOAFVRGPKQUNHA-UHFFFAOYSA-N;146.17;0.03;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_Na";;;;;;;-0.24;;-3.24;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM394969;MM394969;COCCn1ncc(=O)o1;MTZYXFYNUJVVIQ-UHFFFAOYSA-N;144.13;-0.52;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP2_SP2";;;;;;;-1.34;;-4.31;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM394970;MM394970;N=CN=CNOC(=O)C=O;FLQGQPWCKPKCBK-UHFFFAOYSA-N;143.1;-1.13;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_P2";;;;;;;-1.34;;-4.31;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM394971;MM394971;NN=CCn1ncc(=O)o1;SWMPFCFSUWHOEO-UHFFFAOYSA-N;142.12;-1.22;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP2_SP2";;;;;;;-1.34;;-4.31;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM394972;MM394972;CC=NN=C(NO)C(F)F;HPGVCWWAOWQSRQ-UHFFFAOYSA-N;151.12;0.63;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda_N0";;;;;;;1.17;;-1.13;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM394973;MM394973;COC=Cn1ncc(=O)o1;LACOSBWIFHUPKA-UHFFFAOYSA-N;142.11;-0.09;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP2_SP2";;;;;;;-1.34;;-4.31;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM394974;MM394974;COc1n[nH]c(O)n1;ZDINYQOPDQBHQW-UHFFFAOYSA-N;115.09;-0.48;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP1_SP2";;;;;;;-1.06;;-7.87;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM394975;MM394975;C=NN(C=NN)C(=C)C;OQSZIISXLVJEFV-UHFFFAOYSA-N;126.16;0.34;;;;;DOPC;MDCG;27;0;"MARTINI bead: N0_P1";;;;;;;0.34;;-1.53;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM394976;MM394976;CCCC=CCC(O)CC;VGEQNNXHWYORJH-UHFFFAOYSA-N;142.24;2.5;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1_Nda";;;;;;;2.91;;0.57;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM394977;MM394977;CON=Cn1ncc(=O)o1;QWQWKNBTXJHQCT-UHFFFAOYSA-N;143.1;-0.73;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP2_SP2";;;;;;;-1.34;;-4.31;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM394978;MM394978;CC(C)C(F)(F)C=NO;WZHFDJATMHBPQN-UHFFFAOYSA-N;137.13;1.74;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4_P1";;;;;;;1.37;;-4.02;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM394979;MM394979;C=NN=Cn1ncc(=O)o1;MSYLQPQSTBGUET-UHFFFAOYSA-N;140.1;-0.67;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP2_SP1";;;;;;;-1.06;;-3.82;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM394980;MM394980;O=Cc1coc(=NO)[nH]1;DSPHDIPVDBMDSI-UHFFFAOYSA-N;128.09;-0.29;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP2_SP1";;;;;;;-1.06;;-7.87;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM394981;MM394981;CC1C=CC(C#CC#N)C1;MEAIVGHZUPOSOH-UHFFFAOYSA-N;131.18;1.73;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC4_SC5";;;;;;;2.97;;0.45;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM394982;MM394982;O=C(O)C=NOCC=NO;JFYRPLTYDFSIFK-UHFFFAOYSA-N;146.1;-0.47;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_P1";;;;;;;-1.06;;-7.87;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM394983;MM394983;N#CC#CC1C=CC(F)C1;DFRUGQVAZOLCON-UHFFFAOYSA-N;135.14;1.43;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC5_SC5";;;;;;;2.41;;0.64;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM394984;MM394984;CCC(O)CC=CCC#N;BLPPJJUJUQMSEW-UHFFFAOYSA-N;139.2;1.62;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda_N0";;;;;;;1.17;;-1.13;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM394985;MM394985;C#CC#CC1C=CC(C)C1;IHIPWHUEWLDAGW-UHFFFAOYSA-N;130.19;1.84;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC4_SC4";;;;;;;3.53;;0.53;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM394986;MM394986;CN(O)C(=N)C(=O)O;VWHWCTNPTMYOCI-UHFFFAOYSA-N;118.09;-0.63;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_P1";;;;;;;-1.06;;-7.87;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM394987;MM394987;C#CC#CC1C=CC(N)C1;POJZFERIRYQONN-UHFFFAOYSA-N;131.18;0.53;;;;;DOPC;MDCG;27;1;"MARTINI bead: SNd_SC4";;;;;;;2.2;;-1.86;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM394988;MM394988;C#CCC=CCC(O)CC;RUBFKGVDPYDFDR-UHFFFAOYSA-N;138.21;1.73;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda_C5";;;;;;;1.64;;0.05;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM394989;MM394989;C#CC#CC1C=CC(F)C1;LGMODQTZYAWYQO-UHFFFAOYSA-N;134.15;1.54;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC5_SC4";;;;;;;2.97;;0.45;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM394990;MM394990;CN(C)C(CC=NN)=NN;DCTHLNHSPAVUFW-UHFFFAOYSA-N;143.19;-0.85;;;;;DOPC;MDCG;27;1;"MARTINI bead: P2_Nd";;;;;;;-0.24;;-4.92;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM394991;MM394991;C#CC#CC1C=CC(C)O1;YSWXCVOSCVBSPN-UHFFFAOYSA-N;132.16;0.97;;;;;DOPC;MDCG;27;0;"MARTINI bead: SN0_SNa";;;;;;;1.17;;-1.18;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM394992;MM394992;C=CCNC(=NN)OCC;KZFSSXBPCKLVOZ-UHFFFAOYSA-N;143.19;0.03;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_P1";;;;;;;0.81;;-0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM394993;MM394993;C#CC#CC1C=NN(C)C1;OGSCRQDJIUOLJG-UHFFFAOYSA-N;132.17;0.17;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP1_SP1";;;;;;;-0.79;;-3.13;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM394994;MM394994;C#CCOC(=NC=N)NN;MFQZFZKNIWTNIC-UHFFFAOYSA-N;140.15;-0.94;;;;;DOPC;MDCG;27;0;"MARTINI bead: P4_N0";;;;;;;-0.88;;-3.74;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM394995;MM394995;C=NN(C=NN)C(C)=N;HGIUUGGFUZLIOB-UHFFFAOYSA-N;127.15;-0.2;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_P1";;;;;;;-0.79;;-3.13;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM394996;MM394996;C=NOC(=NOC=O)NC;CRKAINFSDRBUIY-UHFFFAOYSA-N;145.12;-0.72;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_Na";;;;;;;-0.24;;-3.24;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM394997;MM394997;C=C1C=CC(C#CC#N)C1;WJNQPVLSWPLTJT-UHFFFAOYSA-N;129.16;1.65;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC4_SC5";;;;;;;2.97;;0.45;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM394998;MM394998;CN(O)C(CC=NN)=NO;CZDPDVBVCVDBTN-UHFFFAOYSA-N;146.15;-0.57;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_P1";;;;;;;-0.79;;-3.13;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM394999;MM394999;N#CC#CC1C=CC(=O)C1;DZFXRIQOTMDFHM-UHFFFAOYSA-N;131.13;0.66;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNa_SC5";;;;;;;1.64;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM395000;MM395000;CN(O)C(CC=NO)=NO;VFULCIDTSRGWPZ-UHFFFAOYSA-N;147.13;-0.05;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_P1";;;;;;;-0.79;;-3.13;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM395001;MM395001;C#CC#CC1C=CC(=C)C1;AOECIXIDRMBLRH-UHFFFAOYSA-N;128.17;1.76;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC4_SC4";;;;;;;3.53;;0.53;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM395002;MM395002;CC=CNC(=NN)N(C)N;DUJLTDBRHIDMDX-UHFFFAOYSA-N;143.19;-0.86;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_P2";;;;;;;-0.24;;-6.04;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM395003;MM395003;C#CC#CC1C=CC(=O)C1;CRHXKXCNANLQBP-UHFFFAOYSA-N;130.15;0.77;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNa_SC4";;;;;;;2.2;;0.34;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM395004;MM395004;CN(N)C(=NN)NC=CF;NTRONIHVGJXEPE-UHFFFAOYSA-N;147.16;-0.95;;;;;DOPC;MDCG;27;1;"MARTINI bead: P2_Nda";;;;;;;-0.24;;-4.93;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM395005;MM395005;C#CC#CC1C=CC(=N)N1;UCVAXZFJBWVZCF-UHFFFAOYSA-N;130.15;0.13;;;;;DOPC;MDCG;27;1;"MARTINI bead: SP1_SN0";;;;;;;0.34;;-3.71;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM395006;MM395006;CCNN=C(C#N)OCC;JKUJDVMOOPBCCF-UHFFFAOYSA-N;141.17;0.47;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_C5";;;;;;;0.81;;-0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM395007;MM395007;O=c1cnc(O)noc1=O;MGFUWUKZWRHAAY-UHFFFAOYSA-N;142.07;-1.5;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP2_SP3";;;;;;;-2.2;;-9.36;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM395008;MM395008;CN=C(NC=CF)N(C)O;SMJYXPCWIFMTKG-UHFFFAOYSA-N;147.15;0.32;;;;;DOPC;MDCG;27;1;"MARTINI bead: P2_C5";;;;;;;0.54;;-2.6;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM395009;MM395009;C#CC#CC1C=CC(=C)O1;OMKAMSANUXZLAE-UHFFFAOYSA-N;130.15;1.09;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNa_SN0";;;;;;;1.17;;-1.18;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM395010;MM395010;CC=CNC(=NN)N(C)O;KJEGSKZRBJJEQL-UHFFFAOYSA-N;144.18;-0.34;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_P2";;;;;;;-0.24;;-4.47;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM395011;MM395011;C#CC=CC1CC=C(F)C1;BKPOVQZYOLLROD-UHFFFAOYSA-N;136.17;2.44;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC5_SC3";;;;;;;3.34;;0.48;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM395012;MM395012;C=NN=CCC(C=O)OC;JBKNAXMPFUEEEF-UHFFFAOYSA-N;142.16;0.28;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_N0";;;;;;;1.17;;-1.18;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM395013;MM395013;CC1=CCC(C#CC#N)C1;AYDRKWOFCKYICL-UHFFFAOYSA-N;131.18;1.87;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC4_SC5";;;;;;;2.97;;0.45;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM395014;MM395014;CN=CNC(=NC)N(C)C;FSTFBQLNCOKJAU-UHFFFAOYSA-N;142.21;-0.22;;;;;DOPC;MDCG;27;1;"MARTINI bead: P2_Nd";;;;;;;-0.24;;-7.11;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM395015;MM395015;N#CC#CC1CC=C(F)C1;BNRFHYPUAWEADG-UHFFFAOYSA-N;135.14;1.78;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC5_SC5";;;;;;;2.41;;0.64;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM395016;MM395016;CN=C(NC=NO)N(C)C;QUUAZZGKWWDISJ-UHFFFAOYSA-N;144.18;-0.46;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1_P1";;;;;;;-0.79;;-6.17;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM395017;MM395017;C#CC#CC1CC=C(C)C1;LGUSVPRDTYPXAN-UHFFFAOYSA-N;130.19;1.98;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC4_SC3";;;;;;;3.9;;0.47;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM395018;MM395018;CN(C)C(=NN)NC=NO;AFTIZLCFZZEQNB-UHFFFAOYSA-N;145.17;-1.22;;;;;DOPC;MDCG;27;1;"MARTINI bead: P2_P1";;;;;;;-1.06;;-5.38;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM395019;MM395019;C#CC#CC1CC=C(F)C1;GXUDIMICZYRTRF-UHFFFAOYSA-N;134.15;1.89;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC5_SC3";;;;;;;3.34;;0.48;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM395020;MM395020;CN=C(NC=NO)N(C)N;JPKNDKCIRUQXFI-UHFFFAOYSA-N;145.17;-1.22;;;;;DOPC;MDCG;27;1;"MARTINI bead: P2_P1";;;;;;;-1.06;;-6.03;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM395021;MM395021;C=CCc1cc(N)c[nH]1;USBGYFJVKALCAT-UHFFFAOYSA-N;122.17;1.33;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP1_SC5";;;;;;;0.81;;-0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM395022;MM395022;CN=CNC(=NN)N(C)N;KXTIBHGMKIBXRM-UHFFFAOYSA-N;144.18;-1.73;;;;;DOPC;MDCG;27;1;"MARTINI bead: N0_P3";;;;;;;-0.8;;-4.8;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM395023;MM395023;C#CC#CC1CC(C)=CO1;NCOFOAMXIWLQHE-UHFFFAOYSA-N;132.16;1.32;;;;;DOPC;MDCG;27;0;"MARTINI bead: SN0_SNa";;;;;;;1.17;;-1.18;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM395024;MM395024;CC=C(CC=CF)C(C)=O;JPIAPJYGHQCJKP-UHFFFAOYSA-N;142.17;2.4;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_C4";;;;;;;2.97;;0.45;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM395025;MM395025;C#CC#CC1CNC(C)=N1;JFIDZJSYYBWVFI-UHFFFAOYSA-N;132.17;0.01;;;;;DOPC;MDCG;27;1;"MARTINI bead: SNd_SP1";;;;;;;0.04;;-3.84;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM395026;MM395026;CC=CCC(=CN)C(C)=O;BANIAVXRMXPVJO-UHFFFAOYSA-N;139.2;1.38;;;;;DOPC;MDCG;27;0;"MARTINI bead: C2_P2";;;;;;;1.72;;0.27;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM395027;MM395027;C#CC#CC1CC=C(C)O1;KNEDFEJZEPZTMQ-UHFFFAOYSA-N;132.16;1.32;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNa_SN0";;;;;;;1.17;;-1.18;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM395028;MM395028;CC(=O)C(=CF)CC=CF;YLJIPZBDNFOLSF-UHFFFAOYSA-N;146.14;2.3;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_C4";;;;;;;2.2;;0.34;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM395029;MM395029;CC(=O)C1=NC(=N)C=C1;LCBHPNODTUQUEX-UHFFFAOYSA-N;122.13;0.56;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNa_SNd";;;;;;;0.87;;-1.88;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM395030;MM395030;CC=C(CC=CF)C(=N)N;MIDLLRVKTGEGHD-UHFFFAOYSA-N;142.18;1.74;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_C5";;;;;;;1.64;;-4.74;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM395031;MM395031;Cn1oc(F)cc1=NN;QXVZZWDBAYZWGY-UHFFFAOYSA-N;131.11;-0.47;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNa_SP1";;;;;;;0.04;;-2.54;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM395032;MM395032;N=C(N)C(=CF)CC=CF;DBGRVNVHOVEFES-UHFFFAOYSA-N;146.14;1.65;;;;;DOPC;MDCG;27;1;"MARTINI bead: P3_C3";;;;;;;0.6;;-3.79;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM395033;MM395033;COCCNC(=NN)OC;SMYVWDLSBXVFKJ-UHFFFAOYSA-N;147.18;-0.9;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_P2";;;;;;;-0.24;;-3.24;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM395034;MM395034;O=C(O)C(=NO)C(F)CO;LFQHOXRAAACQQC-UHFFFAOYSA-N;151.09;-0.77;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_P1";;;;;;;-1.06;;-8.29;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM395035;MM395035;C#CCCNC(=NN)OC;FVAMNUMNGFSZDT-UHFFFAOYSA-N;141.17;-0.52;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_C5";;;;;;;0.54;;-1.09;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM395036;MM395036;Cn1ncc(=NN)n1C;IOPHVWHYFJRIPC-UHFFFAOYSA-N;127.15;-1.47;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP2_SP3";;;;;;;-2.2;;-5.19;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM395037;MM395037;CC=CCC(=CC)C(=O)O;UPVUPTQRLFGMLL-UHFFFAOYSA-N;140.18;1.98;;;;;DOPC;MDCG;27;-1;"MARTINI bead: C2_Nda";;;;;;;2.83;;-0.63;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM395038;MM395038;CCON=c1occ(C)o1;ULZICJKBSIPIBK-UHFFFAOYSA-N;143.14;1.03;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_SP1";;;;;;;-0.79;;-3.13;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM395039;MM395039;CC=C(CC=CF)C(=O)O;ZPAVMJGTCFQIAZ-UHFFFAOYSA-N;144.15;1.89;;;;;DOPC;MDCG;27;-1;"MARTINI bead: Nda_C4";;;;;;;2.2;;-2.26;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM395040;MM395040;CCON=c1occ(N)o1;KSRJPGCDTGETMQ-UHFFFAOYSA-N;144.13;0.31;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_SP3";;;;;;;-1.93;;-4.72;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM395041;MM395041;C=C(C)C(=CC)CC=NN;XWDSWRCOOZIECJ-UHFFFAOYSA-N;138.21;1.84;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1_Nd";;;;;;;2.91;;0.63;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM395042;MM395042;Cn1[nH]c2nnc(=O)c=2[nH]1;LLAJQIAEDFKBKG-UHFFFAOYSA-N;139.12;-1.44;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP1_SP2";;;;;;;-1.06;;-8.29;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM395043;MM395043;CC=C(CC=NO)C(C)=O;AXGJGQLWSREWPY-UHFFFAOYSA-N;141.17;1.37;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_P1";;;;;;;0.81;;-0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM395044;MM395044;CCON=c1occ(F)o1;JNAWBXXXHCAUCV-UHFFFAOYSA-N;147.11;0.86;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_SP1";;;;;;;-0.79;;-3.13;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM395045;MM395045;N=C(N)C(=CN)CC=NN;SAWZBTAZNQZNMY-UHFFFAOYSA-N;141.18;-0.9;;;;;DOPC;MDCG;27;1;"MARTINI bead: P3_Nd";;;;;;;-1.1;;-8.07;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM395046;MM395046;CNn1nnc(N)c1N;RHAFIURRIRQAGQ-UHFFFAOYSA-N;128.14;-1.38;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP2_SP2";;;;;;;-1.34;;-4.31;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM395047;MM395047;CC=C(CC=NO)C(N)=O;YOGCPGITEYFOIA-UHFFFAOYSA-N;142.16;0.27;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_P3";;;;;;;-0.33;;-2.01;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM395048;MM395048;NN=C(CF)NN1CC1;NUKDQKCDLZNSSV-UHFFFAOYSA-N;132.14;-0.95;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_SP3";;;;;;;-1.93;;-4.72;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM395049;MM395049;NC=C(CC=NO)C(N)=O;WKVDDGODZYHILZ-UHFFFAOYSA-N;143.15;-0.84;;;;;DOPC;MDCG;27;0;"MARTINI bead: P3_P1";;;;;;;-1.93;;-4.72;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM395050;MM395050;NN=c1[nH]nc(F)o1;WHEKSZCGPBUUSM-UHFFFAOYSA-N;118.07;-1.08;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP3_SP1";;;;;;;-1.93;;-8.84;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM395051;MM395051;C=C(C)C(CC=CF)=NN;GNCGXXKKTWXWIT-UHFFFAOYSA-N;142.18;1.75;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_C4";;;;;;;2.97;;0.45;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM395052;MM395052;CCNN=c1onc(F)o1;LVFJWJXVELEMOD-UHFFFAOYSA-N;147.11;-0.17;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_SP2";;;;;;;-1.06;;-3.82;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM395053;MM395053;C=C(C)C(CC=CF)=NO;WEPCZZYQFUOJOM-UHFFFAOYSA-N;143.16;2.27;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda_C4";;;;;;;2.2;;0.49;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM395054;MM395054;CCON=c1onc(C)o1;KAAVWCQDQWQVBL-UHFFFAOYSA-N;144.13;0.43;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_SP2";;;;;;;-1.06;;-3.82;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM395055;MM395055;CC=CCC(=NN)C(=N)N;VVEJIFKXAKIAJP-UHFFFAOYSA-N;140.19;0.2;;;;;DOPC;MDCG;27;1;"MARTINI bead: C4_P3";;;;;;;0.23;;-2.95;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM395056;MM395056;C#CC(=O)C#CC1CN1;ASZFKJBFSPOLIS-UHFFFAOYSA-N;119.12;-0.84;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_SP1";;;;;;;0.04;;-2.54;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM395057;MM395057;NNC(=O)C(O)C(=O)O;WDRMUTSHBONEDM-UHFFFAOYSA-N;134.09;-2.58;;;;;DOPC;MDCG;27;0;"MARTINI bead: P4_P2";;;;;;;-2.29;;-9.46;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM395058;MM395058;CN(N)C(=O)OCC(=O)O;RRIRPAFNXGOULV-UHFFFAOYSA-N;148.12;-0.99;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_P1";;;;;;;-0.79;;-7.69;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM395059;MM395059;NC(=O)C(CC=NO)=NO;RTERWAIWDBNRDP-UHFFFAOYSA-N;145.12;-0.85;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_P1";;;;;;;-1.06;;-3.82;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM395060;MM395060;CCON=c1onc(F)o1;RDNMUCMECBYDDX-UHFFFAOYSA-N;148.09;0.26;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_SP2";;;;;;;-1.06;;-3.82;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM395061;MM395061;CC=C(NC=NC)C(=N)N;RYULAVGYCXDTSK-UHFFFAOYSA-N;140.19;0.07;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_P2";;;;;;;-0.24;;-7.84;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM395062;MM395062;CCN1CC1C(=O)C=O;DYSFICGAXLDHRW-UHFFFAOYSA-N;127.14;-0.54;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNd_Na";;;;;;;0.87;;-1.88;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM395063;MM395063;CC=C(N=CNN)C(=N)N;PWEKMSSGFKGTHZ-UHFFFAOYSA-N;141.18;-0.68;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_P4";;;;;;;-1.19;;-7.05;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM395064;MM395064;Cc1coc(=NNC=O)o1;MIVWOFILFQOOCH-UHFFFAOYSA-N;142.11;-0.26;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP1_P3";;;;;;;-1.93;;-4.72;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM395065;MM395065;CN=CNC(=CN)C(=N)N;RWDQPGZUIKUALI-UHFFFAOYSA-N;141.18;-1.03;;;;;DOPC;MDCG;27;1;"MARTINI bead: N0_P4";;;;;;;-0.88;;-7.16;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM395066;MM395066;C#CC(=O)C1CN1N=C;BOWNPXUXYDFJJC-UHFFFAOYSA-N;122.13;-0.51;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP2_P1";;;;;;;-1.06;;-3.82;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM395067;MM395067;N=C(N)C(=CN)NC=NN;YEZKYYKLKRZJOA-UHFFFAOYSA-N;142.17;-1.79;;;;;DOPC;MDCG;27;1;"MARTINI bead: P4_P1";;;;;;;-2.01;;-8.81;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM395068;MM395068;Nc1coc(=NNC=O)o1;KHBHKUCMXXVNIJ-UHFFFAOYSA-N;143.1;-0.98;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP3_P3";;;;;;;-3.07;;-6.15;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM395069;MM395069;COC(=NN)NCC=NN;OSHMZMYUFOSPLE-UHFFFAOYSA-N;145.17;-1.6;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_P1";;;;;;;-0.79;;-3.13;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM395070;MM395070;CCCOC(=CN)C(=O)O;JAOVDBDZRCDNDO-UHFFFAOYSA-N;145.16;0.3;;;;;DOPC;MDCG;27;0;"MARTINI bead: C3_P3";;;;;;;0.6;;-4.84;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM395071;MM395071;CNNC=NC(=NN)OC;CGFVUGNERCQRGV-UHFFFAOYSA-N;145.17;-1.39;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_P2";;;;;;;-1.34;;-4.31;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM395072;MM395072;NN=CNOCCCF;IFVXZXSBQNKRNK-UHFFFAOYSA-N;135.14;-0.23;;;;;DOPC;MDCG;27;0;"MARTINI bead: P3_C5";;;;;;;-0.33;;-2.01;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM395073;MM395073;CCCC#CC(C#N)NC;ANLDSNSVKCERAQ-UHFFFAOYSA-N;136.2;0.9;;;;;DOPC;MDCG;27;0;"MARTINI bead: C3_P2";;;;;;;1.46;;-0.15;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM395074;MM395074;O=CNN=c1occ(F)o1;DCNPQDOFWLWEIE-UHFFFAOYSA-N;146.08;-0.43;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP1_P3";;;;;;;-1.93;;-4.72;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM395075;MM395075;N=C(N)C(=NN)NC=CF;SNWCMGCDJNQXRU-UHFFFAOYSA-N;145.14;-0.78;;;;;DOPC;MDCG;27;1;"MARTINI bead: P3_Nda";;;;;;;-1.1;;-6.46;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM395076;MM395076;Cc1coc(=NOC=O)o1;SXHXPLDAZPSJET-UHFFFAOYSA-N;143.1;0.17;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP1_P1";;;;;;;-0.79;;-3.13;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM395077;MM395077;N=C(N)C(=NO)NC=CF;YXCHECQBXSIWQD-UHFFFAOYSA-N;146.13;-0.26;;;;;DOPC;MDCG;27;1;"MARTINI bead: P3_Nda";;;;;;;-1.1;;-5.62;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM395078;MM395078;Nc1coc(=NOC=O)o1;MLDSIMLRSAAIDI-UHFFFAOYSA-N;144.09;-0.56;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP3_P1";;;;;;;-1.93;;-4.72;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM395079;MM395079;CNC1(C#N)C(=O)CC1C;SWGONMZPCNGRTQ-UHFFFAOYSA-N;138.17;0.08;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNd_SNa";;;;;;;0.87;;-1.88;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM395080;MM395080;N=CN=c1ncc(O)no1;ARSPPLUBMXCJCQ-UHFFFAOYSA-N;140.1;-0.72;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP3_SP3";;;;;;;-3.07;;-10.12;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM395081;MM395081;NC(=O)C(=NO)NC=CF;OWULUKVQIBQHNZ-UHFFFAOYSA-N;147.11;-0.71;;;;;DOPC;MDCG;27;0;"MARTINI bead: P3_Nda";;;;;;;-1.1;;-3.97;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM395082;MM395082;O=CON=c1occ(F)o1;VQYMLVPRMSMJHK-UHFFFAOYSA-N;147.06;;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP1_P1";;;;;;;-0.79;;-3.13;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM395083;MM395083;N=Cn1nc(O)c(=NO)o1;QAZXGHYOGCACEJ-UHFFFAOYSA-N;144.09;-1.07;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP2_SP3";;;;;;;-2.2;;-9.07;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM395084;MM395084;C=CCCONC=NN;DBQHOSZNHXKSJC-UHFFFAOYSA-N;129.16;-0.01;;;;;DOPC;MDCG;27;0;"MARTINI bead: P3_C4";;;;;;;0.23;;-1.03;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM395085;MM395085;C=C(C)C(=NC=NO)NN;VHVSDHKTFNKZJF-UHFFFAOYSA-N;142.16;-0.16;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4_P3";;;;;;;0.23;;-1.03;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM395086;MM395086;Cc1noc(=NNC=O)o1;LXEJDRZTCNINGC-UHFFFAOYSA-N;143.1;-0.86;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP2_P3";;;;;;;-2.2;;-5.19;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM395087;MM395087;CN=CN=C(NC)C(=N)N;VSGUJUNLFUCOJQ-UHFFFAOYSA-N;141.18;-0.8;;;;;DOPC;MDCG;27;1;"MARTINI bead: P3_N0";;;;;;;-0.8;;-5.89;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM395088;MM395088;C=COCONC=NN;LHJYRUZTFQFLKQ-UHFFFAOYSA-N;131.14;-0.47;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_P1";;;;;;;-0.79;;-3.13;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM395089;MM395089;CN=CN=C(NN)C(=N)N;ASWNSPFHKKGPKX-UHFFFAOYSA-N;142.17;-1.56;;;;;DOPC;MDCG;27;1;"MARTINI bead: N0_P4";;;;;;;-0.88;;-6.14;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM395090;MM395090;Nc1noc(=NNC=O)o1;DKSXEJOGPKIDGT-UHFFFAOYSA-N;144.09;-1.59;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP3_P3";;;;;;;-3.07;;-6.15;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM395091;MM395091;N=C(N)C(=NN)NC=NN;OIPLRNQOROVYRS-UHFFFAOYSA-N;143.15;-2.31;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1_P4";;;;;;;-2.01;;-7.42;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM395092;MM395092;O=C(O)C(=O)NCCF;PMZGQVHLBRDTFA-UHFFFAOYSA-N;135.09;-0.84;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_P2";;;;;;;-1.06;;-8.29;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM395093;MM395093;CN=CN=C(NO)C(=N)N;HQSCOHZSBYUYRS-UHFFFAOYSA-N;143.15;-1.04;;;;;DOPC;MDCG;27;1;"MARTINI bead: N0_P4";;;;;;;-0.88;;-5.56;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM395094;MM395094;O=CCONC(=O)C=O;KBFQWPCKQIZTHD-UHFFFAOYSA-N;131.09;-1.57;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_Na";;;;;;;-0.24;;-7.74;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM395095;MM395095;N=C(N)C(=NC=NN)NO;CIBVUYIYHDFKEK-UHFFFAOYSA-N;144.14;-1.8;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1_P4";;;;;;;-2.01;;-6.91;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM395096;MM395096;C=NOCONC=NN;QGRCQVBOWQZHQA-UHFFFAOYSA-N;132.12;-1;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_P2";;;;;;;-1.06;;-3.82;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM395097;MM395097;N=C(N)C(=NO)NC=NO;AKVAXTQZIKJZPD-UHFFFAOYSA-N;145.12;-1.28;;;;;DOPC;MDCG;27;1;"MARTINI bead: P4_P1";;;;;;;-2.01;;-6.59;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM395098;MM395098;O=CNN=c1onc(F)o1;UNZNNFGPUFXXRL-UHFFFAOYSA-N;147.07;-1.03;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP2_P3";;;;;;;-2.2;;-5.19;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM395099;MM395099;C=CCC1COC(=NN)N1;BLPDYVIOVWUNMM-UHFFFAOYSA-N;141.17;-0.22;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP2_SP1";;;;;;;-1.06;;-3.82;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM395100;MM395100;Cc1noc(=NOC=O)o1;MGPDVUYVEBWOAR-UHFFFAOYSA-N;144.09;-0.44;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP2_P1";;;;;;;-1.06;;-3.82;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM395101;MM395101;C#CCC1COC(=NN)N1;LOXXAXPKZRFNFP-UHFFFAOYSA-N;139.16;-0.77;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP2_SP1";;;;;;;-1.06;;-3.82;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM395102;MM395102;C#CCCONC=NN;YGAFUPMPLYQAIN-UHFFFAOYSA-N;127.15;-0.57;;;;;DOPC;MDCG;27;0;"MARTINI bead: P4_C5";;;;;;;-0.41;;-2.77;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM395103;MM395103;CCC1ON=C(CC#N)O1;XOBKOUOMTQRJDS-UHFFFAOYSA-N;140.14;1;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNa_SP1";;;;;;;0.04;;-2.54;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM395104;MM395104;CC(=O)CONC(=O)C=O;QRRRLKSAYMEOSC-UHFFFAOYSA-N;145.11;-1.18;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_Na";;;;;;;-0.24;;-7.74;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM395105;MM395105;C=C(CC=O)CCN1CC1;WAKBQNNXLBIGSG-UHFFFAOYSA-N;139.2;0.84;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_SP1";;;;;;;0.04;;-2.54;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM395106;MM395106;O=CON=c1onc(F)o1;LQHNHDZKLFYDPY-UHFFFAOYSA-N;148.05;-0.6;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP2_P1";;;;;;;-1.06;;-3.82;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM395107;MM395107;C#CC12CC(N1)C(=O)C2=C;AEOQPBNWAGZOOX-UHFFFAOYSA-N;133.15;-0.14;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNa_SP2";;;;;;;-0.24;;-3.24;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM395108;MM395108;CC=NN=c1occ(C)o1;YRODUZYMKSOMSE-UHFFFAOYSA-N;140.14;1.09;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_SP1";;;;;;;-0.79;;-3.13;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM395109;MM395109;CC=Nn1onc(N)c1=O;CUIPRYYATRCGRI-UHFFFAOYSA-N;142.12;-0.73;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP1_SP1";;;;;;;-0.79;;-3.13;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM395110;MM395110;CC=NN=c1occ(N)o1;DXPJRWMSXCZXGH-UHFFFAOYSA-N;141.13;0.36;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_SP3";;;;;;;-1.93;;-4.72;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM395111;MM395111;NC=NOC(=O)CC(=O)O;IPBLGLKSCHVVDN-UHFFFAOYSA-N;146.1;-1.09;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_P1";;;;;;;-0.79;;-7.22;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM395112;MM395112;O=CC(O)C=C(F)C(=O)O;UGXOCFNRBYPIAZ-UHFFFAOYSA-N;148.09;-0.52;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_Nda";;;;;;;-0.24;;-7.77;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM395113;MM395113;CC1N(CC(=O)O)C1(C)C;NSZZDRKLNAQNSS-UHFFFAOYSA-N;143.19;0.55;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_SNd";;;;;;;0.04;;-6.71;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM395114;MM395114;CC=NN=c1occ(F)o1;ZTBFHPIIILSRRG-UHFFFAOYSA-N;144.11;0.92;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_SP1";;;;;;;-0.79;;-3.13;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM395115;MM395115;CC(=NOCC(=O)O)NN;QGRQLBJUFYSSJQ-UHFFFAOYSA-N;147.13;-1.12;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_P1";;;;;;;-0.79;;-7.22;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM395116;MM395116;CC=NN=c1onc(C)o1;VKCHGSSIFZCCSS-UHFFFAOYSA-N;141.13;0.48;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_SP2";;;;;;;-1.06;;-3.82;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM395117;MM395117;N=C(N)C(=CN)OC=CF;LTEQVQODYYTTII-UHFFFAOYSA-N;145.14;0.18;;;;;DOPC;MDCG;27;1;"MARTINI bead: P3_C5";;;;;;;-0.33;;-5.68;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM395118;MM395118;NN=CNOCC=CF;OMYVLMVIXRWDBK-UHFFFAOYSA-N;133.13;-0.11;;;;;DOPC;MDCG;27;0;"MARTINI bead: P3_C5";;;;;;;-0.33;;-2.01;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM395119;MM395119;N=C(N)C(=CF)OC=CF;DMAFDXMCPLQPKO-UHFFFAOYSA-N;148.11;1.19;;;;;DOPC;MDCG;27;1;"MARTINI bead: P3_C4";;;;;;;0.23;;-3.53;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM395120;MM395120;O=C(O)C=CC(=O)CO;JXKHAEWBGBMSSK-UHFFFAOYSA-N;130.1;-0.81;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_P1";;;;;;;-0.79;;-7.7;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM395121;MM395121;CC=COC(=CC)C(N)=O;CIFXFEQMDVXVOJ-UHFFFAOYSA-N;141.17;0.93;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_Nda";;;;;;;0.87;;-1.99;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM395122;MM395122;CC=NN=c1onc(F)o1;JGJGXJWYRNAJLW-UHFFFAOYSA-N;145.09;0.31;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_SP2";;;;;;;-1.06;;-3.82;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM395123;MM395123;CC=COC(=CF)C(N)=O;NTPVHWJQKAHLBA-UHFFFAOYSA-N;145.13;0.83;;;;;DOPC;MDCG;27;0;"MARTINI bead: C3_P3";;;;;;;0.6;;-0.8;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM395124;MM395124;CCCCc1coc(=O)o1;DAUVWNSVSAPZET-UHFFFAOYSA-N;142.15;1.58;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1_SP1";;;;;;;2.08;;0.48;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM395125;MM395125;NC(=O)C(=CF)OC=CF;DMOKHBCCHBXJHT-UHFFFAOYSA-N;149.1;0.74;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_C5";;;;;;;0.54;;-1.09;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM395126;MM395126;NCCCc1coc(=O)o1;GQYBYJBYBLBMMF-UHFFFAOYSA-N;143.14;0.12;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_SP1";;;;;;;0.04;;-5.26;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM395127;MM395127;C=C(CC)C(=O)C(=O)O;NJKDGHMROBSTPU-UHFFFAOYSA-N;128.13;0.61;;;;;DOPC;MDCG;27;0;"MARTINI bead: C3_P2";;;;;;;1.46;;-4.04;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM395128;MM395128;O=c1occ(CCCO)o1;RQRDBQCZMLPXOK-UHFFFAOYSA-N;144.13;0.16;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda_SP1";;;;;;;0.04;;-2.73;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM395129;MM395129;C#CC=COC(=C)C(=O)O;OYGSQAHIGHSIKU-UHFFFAOYSA-N;138.12;0.75;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_C5";;;;;;;0.81;;-4.57;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM395130;MM395130;O=c1occ(CCCF)o1;DSZNEDRIWBBZPT-UHFFFAOYSA-N;146.12;1.13;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4_SP1";;;;;;;1.37;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM395131;MM395131;C#CC(O)(CCF)C(=O)O;AAOCZZMQCXVNEB-UHFFFAOYSA-N;146.12;-0.21;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_P1";;;;;;;-0.79;;-7.23;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM395132;MM395132;CNCCc1coc(=O)o1;DDJMYAVQZUFDFR-UHFFFAOYSA-N;143.14;-0.01;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_SP1";;;;;;;0.04;;-5.08;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM395133;MM395133;CC=COC(=NN)C(N)=O;HHHCWENLSITNNG-UHFFFAOYSA-N;143.15;-0.71;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4_P3";;;;;;;0.23;;-1.03;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM395134;MM395134;COCCc1coc(=O)o1;DMPLDWBUDXTIKB-UHFFFAOYSA-N;144.13;0.42;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_SP1";;;;;;;0.04;;-2.54;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM395135;MM395135;NN=C(OC=CF)C(N)=O;SJKZNGCRFQHNNS-UHFFFAOYSA-N;147.11;-0.8;;;;;DOPC;MDCG;27;0;"MARTINI bead: P3_C5";;;;;;;-0.33;;-2.01;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM395136;MM395136;CCOCc1coc(=O)o1;RNMCTPDGWVMYGJ-UHFFFAOYSA-N;144.13;0.77;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_SP1";;;;;;;0.04;;-2.54;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM395137;MM395137;NC(=O)C(=NO)OC=CF;OMYKIYTVJAWOKP-UHFFFAOYSA-N;148.09;-0.28;;;;;DOPC;MDCG;27;0;"MARTINI bead: P3_C5";;;;;;;-0.33;;-2.01;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM395138;MM395138;CCCNc1coc(=O)o1;AVZYABHWYCTCBO-UHFFFAOYSA-N;143.14;1.05;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nd_SP1";;;;;;;0.04;;-2.63;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM395139;MM395139;CNN=C(C(N)=O)C(=O)O;SFKUSSWEPDPRAJ-UHFFFAOYSA-N;145.12;-1.87;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_P1";;;;;;;-1.06;;-7.87;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM395140;MM395140;NCCNc1coc(=O)o1;LHMSQEXIKASKQV-UHFFFAOYSA-N;144.13;-0.4;;;;;DOPC;MDCG;27;1;"MARTINI bead: P4_SP1";;;;;;;-2.01;;-6.89;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM395141;MM395141;On1onc2ncnc1-2;YXVIMAKQRZUNLR-UHFFFAOYSA-N;126.08;-0.39;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP1_SP1";;;;;;;-0.79;;-7.23;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM395142;MM395142;CCCOc1coc(=O)o1;DTGMXXAXWDMSQX-UHFFFAOYSA-N;144.13;1.02;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_SP1";;;;;;;0.04;;-2.54;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM395143;MM395143;CC1C=CC(C)(O)C1;UJWAOEFTYFCCCW-UHFFFAOYSA-N;112.17;1.33;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC4_SNda";;;;;;;2.2;;0.49;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM395144;MM395144;NCCOc1coc(=O)o1;BZKCACQIEWITKO-UHFFFAOYSA-N;145.11;-0.43;;;;;DOPC;MDCG;27;1;"MARTINI bead: P3_SP1";;;;;;;-1.93;;-6.58;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM395145;MM395145;C=C(C)C(=NN)OC=NO;JUHNGJOVPZNYFV-UHFFFAOYSA-N;143.15;0.27;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4_P2";;;;;;;1.09;;-0.37;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM395146;MM395146;O=c1occ(OCCO)o1;BHNOZXKGRBEGQR-UHFFFAOYSA-N;146.1;-0.4;;;;;DOPC;MDCG;27;0;"MARTINI bead: P3_SP1";;;;;;;-1.93;;-4.72;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM395147;MM395147;C=C(C)C(=NO)OC=NN;BHQJKUGXGFFEIE-UHFFFAOYSA-N;143.15;0.27;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4_P2";;;;;;;1.09;;-0.37;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM395148;MM395148;COCOc1coc(=O)o1;OLNIKHRPCPKCLJ-UHFFFAOYSA-N;146.1;0.22;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_SP2";;;;;;;-1.06;;-3.82;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM395149;MM395149;CC1=CC(C)(O)CC1;HSIBNMIHRZUZOO-UHFFFAOYSA-N;112.17;1.48;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC4_SNda";;;;;;;2.2;;0.49;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM395150;MM395150;CCCCc1noc(=O)o1;UXVHJNSLHUKFSJ-UHFFFAOYSA-N;143.14;0.97;;;;;DOPC;MDCG;27;0;"MARTINI bead: C3_SP2";;;;;;;1.46;;-0.15;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM395151;MM395151;N=c1cnc(=O)[nH]c(O)n1;LZJQPJONMWYQSU-UHFFFAOYSA-N;140.1;-1.65;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP3_SP3";;;;;;;-3.07;;-9.92;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM395152;MM395152;NCCCc1noc(=O)o1;QVFIIGOQUQKANQ-UHFFFAOYSA-N;144.13;-0.48;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1_SP2";;;;;;;-1.06;;-6.58;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM395153;MM395153;C=C(C)CC1(O)CC1;GJYCOXBZXQVYOG-UHFFFAOYSA-N;112.17;1.48;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4_SP1";;;;;;;1.37;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM395154;MM395154;O=c1onc(CCCO)o1;FUGBDXQZSODGGR-UHFFFAOYSA-N;145.11;-0.45;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_SP2";;;;;;;-1.06;;-3.82;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM395155;MM395155;C=C(F)C(=NN)OC=NO;LFUKTWWNKITAIZ-UHFFFAOYSA-N;147.11;0.18;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_C5";;;;;;;0.54;;-1.09;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM395156;MM395156;O=c1onc(CCCF)o1;ZGXMMZCLDFSJKE-UHFFFAOYSA-N;147.11;0.53;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_SP2";;;;;;;0.54;;-1.09;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM395157;MM395157;Cn1[nH]nnc(=O)c1=N;YUOYLGNGICDGJZ-UHFFFAOYSA-N;127.11;-2.02;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP1_SP3";;;;;;;-1.93;;-8.59;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM395158;MM395158;CNCCc1noc(=O)o1;LPKVSYUXKSGPHJ-UHFFFAOYSA-N;144.13;-0.61;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1_SP2";;;;;;;-1.06;;-6.13;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM395159;MM395159;C=C1CC(O)CC1=C;FJEKRDBYZQWOKW-UHFFFAOYSA-N;110.16;1.25;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNda_SC4";;;;;;;2.2;;0.49;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM395160;MM395160;COCCc1noc(=O)o1;YLXJAPWWGLDBDO-UHFFFAOYSA-N;145.11;-0.18;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_SP2";;;;;;;-1.06;;-3.82;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM395161;MM395161;CC#CCC(=NN)C(C)C;WWAGEBIWDGOELT-UHFFFAOYSA-N;138.21;1.37;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_C3";;;;;;;3.34;;0.48;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM395162;MM395162;CCOCc1noc(=O)o1;OYCUROJIOTZAPO-UHFFFAOYSA-N;145.11;0.16;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_SP2";;;;;;;-0.24;;-3.24;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM395163;MM395163;CC#CCC(=CF)C(=N)N;MERPSZXPMFYKPF-UHFFFAOYSA-N;140.16;1.19;;;;;DOPC;MDCG;27;1;"MARTINI bead: C4_P1";;;;;;;1.37;;-2.91;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM395164;MM395164;CN(C)C(=NN)C(C)(C)F;KJTABDGIOMOBSR-UHFFFAOYSA-N;147.2;0.57;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_C5";;;;;;;0.54;;-1.09;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM395165;MM395165;C=Cc1nc(N)co1;WCJSYBABVWDRQW-UHFFFAOYSA-N;110.12;0.9;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP1_SN0";;;;;;;0.34;;-1.53;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM395166;MM395166;CCCOc1noc(=O)o1;DRBJHULASFLXSI-UHFFFAOYSA-N;145.11;0.42;;;;;DOPC;MDCG;27;0;"MARTINI bead: C3_SP2";;;;;;;1.46;;-0.15;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM395167;MM395167;CC#CCC(=CF)C(N)=O;VIRHNZRVVUCAJS-UHFFFAOYSA-N;141.15;0.74;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4_P1";;;;;;;1.37;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM395168;MM395168;NCCOc1noc(=O)o1;QKAQCFROEKDLRI-UHFFFAOYSA-N;146.1;-1.03;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1_SP2";;;;;;;-1.06;;-5.84;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM395169;MM395169;CC#CCC(=CC)C(=O)O;KZNOBKCQROKVIF-UHFFFAOYSA-N;138.17;1.43;;;;;DOPC;MDCG;27;-1;"MARTINI bead: C4_Nda";;;;;;;2.2;;-2.18;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM395170;MM395170;O=c1onc(OCCO)o1;KNBSAKFNQPLLMX-UHFFFAOYSA-N;147.09;-1;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_SP2";;;;;;;-1.06;;-3.82;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM395171;MM395171;C=C(C)C(CC#CC)=NN;OBCIALCDZMRXOQ-UHFFFAOYSA-N;136.2;1.29;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4_C5";;;;;;;2.97;;0.45;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM395172;MM395172;COCOc1noc(=O)o1;RBJWQCOJANLWBC-UHFFFAOYSA-N;147.09;-0.39;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_SP2";;;;;;;-1.06;;-3.82;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM395173;MM395173;C=C(C)C(CC#CC)=NO;BHLNUKHGWQWRKD-UHFFFAOYSA-N;137.18;1.81;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4_Nda";;;;;;;2.2;;0.49;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM395174;MM395174;C=CCCc1coc(=O)o1;HHGMSECKVATZFI-UHFFFAOYSA-N;140.14;1.35;;;;;DOPC;MDCG;27;0;"MARTINI bead: C3_SP1";;;;;;;1.74;;0.29;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM395175;MM395175;CC#CCC(=NN)C(=N)N;OFLBVXXFQFISTC-UHFFFAOYSA-N;138.17;-0.35;;;;;DOPC;MDCG;27;1;"MARTINI bead: C4_P3";;;;;;;0.23;;-2.8;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM395176;MM395176;O=CCCc1coc(=O)o1;ZQNHDGXLSPTAOB-UHFFFAOYSA-N;142.11;0.36;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_SP1";;;;;;;0.04;;-2.54;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM395177;MM395177;CCC=CC(CN)C(C)C;PRKXMXYLFGLVAU-UHFFFAOYSA-N;141.26;2.18;;;;;DOPC;MDCG;27;1;"MARTINI bead: C3_C5";;;;;;;3.34;;0.35;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM395178;MM395178;N#CCCc1coc(=O)o1;LOYMYBVCYVNJLY-UHFFFAOYSA-N;139.11;0.69;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP1_P1";;;;;;;-0.79;;-3.13;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM395179;MM395179;CC(C)C(C=CCN)CF;OHEAKORKIDHTQR-UHFFFAOYSA-N;145.22;1.74;;;;;DOPC;MDCG;27;1;"MARTINI bead: C2_P1";;;;;;;2;;-0.88;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM395180;MM395180;N=CNCc1coc(=O)o1;IZRPJLMBAVDILT-UHFFFAOYSA-N;142.11;-0.07;;;;;DOPC;MDCG;27;1;"MARTINI bead: P3_SP1";;;;;;;-1.93;;-7.93;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM395181;MM395181;CCC(C=CCN)C(C)N;OUHDUSWOIVGDAH-UHFFFAOYSA-N;142.25;0.87;;;;;DOPC;MDCG;27;1;"MARTINI bead: C5_P1";;;;;;;0.81;;-3.55;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM395182;MM395182;O=CNCc1coc(=O)o1;XLBPHKJGKCAXEU-UHFFFAOYSA-N;143.1;-0.52;;;;;DOPC;MDCG;27;0;"MARTINI bead: P3_SP1";;;;;;;-1.93;;-4.72;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM395183;MM395183;CC(N)C(C=CCF)CF;UTEACVYJYVGUIG-UHFFFAOYSA-N;149.18;1.45;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nda_Na";;;;;;;0.87;;-4.92;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM395184;MM395184;C=NNCc1coc(=O)o1;JYNKXPAFURXJGQ-UHFFFAOYSA-N;142.11;-0.06;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_SP1";;;;;;;-1.06;;-3.82;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM395185;MM395185;CCC=CC(CN)C(C)F;AKCYSFMCNWQQFH-UHFFFAOYSA-N;145.22;1.89;;;;;DOPC;MDCG;27;1;"MARTINI bead: C3_Nda";;;;;;;2.57;;-1.59;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM395186;MM395186;C=COCc1coc(=O)o1;MFKSOGMGFCXXPH-UHFFFAOYSA-N;142.11;0.89;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_SP1";;;;;;;0.04;;-2.54;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM395187;MM395187;CC(F)C(C=CCN)CN;PNXPUPIPHPTPQZ-UHFFFAOYSA-N;146.21;0.43;;;;;DOPC;MDCG;27;1;"MARTINI bead: P2_Nda";;;;;;;-0.24;;-6.1;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM395188;MM395188;O=COCc1coc(=O)o1;VZDDMUYLLLKLPO-UHFFFAOYSA-N;144.08;-0.09;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_SP1";;;;;;;-0.79;;-3.13;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM395189;MM395189;OCC=CC(CO)C(F)F;MBHJOHDKNJSTJQ-UHFFFAOYSA-N;152.14;0.41;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_N0";;;;;;;0.34;;-1.53;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM395190;MM395190;C=NOCc1coc(=O)o1;FYHPDDNDTSRNJY-UHFFFAOYSA-N;143.1;0.37;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_SP1";;;;;;;-0.79;;-3.13;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM395191;MM395191;COC=CC(CN)C(C)C;YAXOKFVYUSIRBF-UHFFFAOYSA-N;143.23;1.38;;;;;DOPC;MDCG;27;1;"MARTINI bead: Na_C5";;;;;;;1.64;;-2.69;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM395192;MM395192;C=CCNc1coc(=O)o1;YDWSEWYXXGYEHE-UHFFFAOYSA-N;141.13;0.83;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_SP1";;;;;;;-0.79;;-3.13;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM395193;MM395193;CNC(C=CCN)C(C)C;LNMLCKPZOCKHSO-UHFFFAOYSA-N;142.25;0.75;;;;;DOPC;MDCG;27;1;"MARTINI bead: C5_P1";;;;;;;0.81;;-3.28;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM395194;MM395194;N#CCNc1coc(=O)o1;RARKKGYBDKLXPC-UHFFFAOYSA-N;140.1;0.17;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP1_P3";;;;;;;-1.93;;-4.72;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM395195;MM395195;CNC(C=CCF)C(C)O;YHPLOJDLVWHBJH-UHFFFAOYSA-N;147.19;0.48;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nda_P1";;;;;;;0.04;;-4.65;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM395196;MM395196;O=CNNc1coc(=O)o1;NDRBZFSDRYPAIG-UHFFFAOYSA-N;144.09;-0.69;;;;;DOPC;MDCG;27;0;"MARTINI bead: P4_SP1";;;;;;;-2.01;;-5.13;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM395197;MM395197;COC(C=CCO)C(C)F;HHFRVWGQDYFDBY-UHFFFAOYSA-N;148.18;0.91;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_Nda";;;;;;;0.87;;-1.99;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM395198;MM395198;C=CCCc1noc(=O)o1;HOMJRAUSCOWQKY-UHFFFAOYSA-N;141.13;0.75;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4_SP2";;;;;;;1.09;;-0.38;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM395199;MM395199;CCC(C=NNC)C(C)C;BHEOOEVUJRYYNE-UHFFFAOYSA-N;142.25;1.87;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1_P2";;;;;;;1.8;;0.4;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM395200;MM395200;O=CCCc1noc(=O)o1;QAGCDXWITZFWSG-UHFFFAOYSA-N;143.1;-0.24;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_SP2";;;;;;;-0.24;;-3.24;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM395201;MM395201;CCC(C=NNC)C(C)N;YHAVMIYLZXRMCY-UHFFFAOYSA-N;143.23;0.57;;;;;DOPC;MDCG;27;1;"MARTINI bead: C5_P2";;;;;;;0.54;;-3.73;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM395202;MM395202;N#CCCc1noc(=O)o1;AQUSCJICHNKHTK-UHFFFAOYSA-N;140.1;0.08;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP2_P1";;;;;;;-1.06;;-3.82;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM395203;MM395203;CNN=CC(CO)C(C)N;RXTIVCVJCQDEAD-UHFFFAOYSA-N;145.21;-0.85;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1_P1";;;;;;;-0.79;;-5.43;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM395204;MM395204;N=CNCc1noc(=O)o1;RYICORDOWSNVNY-UHFFFAOYSA-N;143.1;-0.68;;;;;DOPC;MDCG;27;1;"MARTINI bead: P3_SP2";;;;;;;-2.2;;-8.03;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM395205;MM395205;C#CC1NC1C(C)=O;GDOVWQWCUMXHRV-UHFFFAOYSA-N;109.13;-0.45;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_SP3";;;;;;;-1.1;;-4.2;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM395206;MM395206;O=CNCc1noc(=O)o1;KRUQGQQFJHHOJE-UHFFFAOYSA-N;144.09;-1.13;;;;;DOPC;MDCG;27;0;"MARTINI bead: P3_SP2";;;;;;;-2.2;;-5.19;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM395207;MM395207;CNN=CC(CN)C(F)F;HNXNQUNRCMGOAG-UHFFFAOYSA-N;151.16;0.03;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1_N0";;;;;;;0.34;;-3.79;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM395208;MM395208;CN(C=NN)OC(C)(C)C;MYHIXKUBZUEJNQ-UHFFFAOYSA-N;145.21;0.55;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_C3";;;;;;;1.46;;-0.15;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM395209;MM395209;CON=CC(CN)C(C)C;ZSGQKZQFEVQLEJ-UHFFFAOYSA-N;144.22;0.85;;;;;DOPC;MDCG;27;1;"MARTINI bead: P2_C5";;;;;;;0.54;;-3.5;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM395210;MM395210;C=COCc1noc(=O)o1;YZXMNCZPSLCIMX-UHFFFAOYSA-N;143.1;0.29;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_SP2";;;;;;;-0.24;;-3.24;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM395211;MM395211;CCC(C=NOC)C(C)N;BYTPGIASPYWUIK-UHFFFAOYSA-N;144.22;0.99;;;;;DOPC;MDCG;27;1;"MARTINI bead: C5_P1";;;;;;;0.81;;-3.14;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM395212;MM395212;O=COCc1noc(=O)o1;ZFLPQEQHKNMDIZ-UHFFFAOYSA-N;145.07;-0.7;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_SP2";;;;;;;-1.06;;-3.82;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM395213;MM395213;CON=CC(CF)C(C)N;NSNZAGALDJJJQS-UHFFFAOYSA-N;148.18;0.55;;;;;DOPC;MDCG;27;1;"MARTINI bead: P2_Nda";;;;;;;-0.24;;-5.87;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM395214;MM395214;C=NOCc1noc(=O)o1;IWHAFINRNMDDDD-UHFFFAOYSA-N;144.09;-0.24;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_SP2";;;;;;;-1.06;;-3.82;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM395215;MM395215;CNC(C=NOC)C(C)C;SLQLYFKVKSILQA-UHFFFAOYSA-N;144.22;0.86;;;;;DOPC;MDCG;27;1;"MARTINI bead: C5_P2";;;;;;;0.54;;-2.6;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM395216;MM395216;C#CC(C)=C(C)C(C)(C)O;CAUHTUNCKPVFIW-UHFFFAOYSA-N;138.21;1.73;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4_Nda";;;;;;;2.2;;0.49;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM395217;MM395217;CNC(C=NOC)C(F)F;UNRJSNULWUKRCG-UHFFFAOYSA-N;152.14;0.47;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_N0";;;;;;;0.34;;-1.53;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM395218;MM395218;N#CCNc1noc(=O)o1;CLYQOSLKMBXQGJ-UHFFFAOYSA-N;141.09;-0.44;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP3_P1";;;;;;;-1.93;;-4.72;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM395219;MM395219;CNN=CC(OC)C(C)C;DFCWKJMDKLZVFD-UHFFFAOYSA-N;144.22;0.86;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_C5";;;;;;;0.54;;-1.09;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM395220;MM395220;O=CNNc1noc(=O)o1;ZWNQPONWKZKFAU-UHFFFAOYSA-N;145.07;-1.3;;;;;DOPC;MDCG;27;0;"MARTINI bead: P4_SP2";;;;;;;-2.29;;-5.95;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM395221;MM395221;CON=CC(OC)C(C)N;RDMKTKVXKARHCT-UHFFFAOYSA-N;146.19;-0.02;;;;;DOPC;MDCG;27;1;"MARTINI bead: P2_Nda";;;;;;;-0.24;;-5.23;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM395222;MM395222;C=CCOc1noc(=O)o1;JSJNSFKMVSEMFU-UHFFFAOYSA-N;143.1;0.19;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4_SP2";;;;;;;1.09;;-0.38;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM395223;MM395223;CN(C)C(C=CCN)CO;LHEXVXQFRHWNIY-UHFFFAOYSA-N;144.22;-0.58;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1_P1";;;;;;;-0.79;;-5.42;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM395224;MM395224;N#CCOc1noc(=O)o1;QESPCLRMGFLJRV-UHFFFAOYSA-N;142.07;-0.47;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP2_P1";;;;;;;-1.06;;-3.82;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM395225;MM395225;CCN=CN(NC)C(C)C;QTVRFWDAPPTCBC-UHFFFAOYSA-N;143.23;0.88;;;;;DOPC;MDCG;27;1;"MARTINI bead: C5_P1";;;;;;;0.81;;-1.94;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM395226;MM395226;C#CCCc1coc(=O)o1;ZYVQTMCOKAEFHO-UHFFFAOYSA-N;138.12;0.8;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP1_C5";;;;;;;0.81;;-0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM395227;MM395227;NN=CNOC=NN;PGINGWOYMRJYHY-UHFFFAOYSA-N;117.11;-1.69;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_P2";;;;;;;-1.06;;-3.82;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM395228;MM395228;C#CCNc1coc(=O)o1;DYSBPVQHVWUNQW-UHFFFAOYSA-N;139.11;0.28;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP1_P2";;;;;;;-1.06;;-3.82;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM395229;MM395229;CCN=CN(CC)N(C)C;NAHSYOIECPUDID-UHFFFAOYSA-N;143.23;0.83;;;;;DOPC;MDCG;27;1;"MARTINI bead: C5_P1";;;;;;;0.81;;-2.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM395230;MM395230;C#CCOc1coc(=O)o1;IKYRCKWGVWZTSZ-UHFFFAOYSA-N;140.09;0.24;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP1_P2";;;;;;;-1.06;;-3.82;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM395231;MM395231;CCN(C=NOC)N(C)C;GIECOSOXHMZAKW-UHFFFAOYSA-N;145.21;0.37;;;;;DOPC;MDCG;27;0;"MARTINI bead: N0_P2";;;;;;;0.06;;-2.21;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM395232;MM395232;C#CCCc1noc(=O)o1;FWKFITMURGTWCV-UHFFFAOYSA-N;139.11;0.19;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP2_N0";;;;;;;0.06;;-2.21;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM395233;MM395233;C=CC=CC(CN)C(C)C;KYJJZSRWPAZMQO-UHFFFAOYSA-N;139.24;1.96;;;;;DOPC;MDCG;27;1;"MARTINI bead: C3_C5";;;;;;;3.34;;0.35;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM395234;MM395234;C#CCNc1noc(=O)o1;PZTSJZGJBHDSPQ-UHFFFAOYSA-N;140.1;-0.33;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP3_N0";;;;;;;-0.8;;-2.99;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM395235;MM395235;CC(C)C(C=CC=O)CF;KXXBRYQPYLDLGY-UHFFFAOYSA-N;144.19;1.98;;;;;DOPC;MDCG;27;0;"MARTINI bead: C2_Na";;;;;;;2.83;;0.35;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM395236;MM395236;C#CCOc1noc(=O)o1;UOALMOVJUDWYGL-UHFFFAOYSA-N;141.08;-0.36;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP2_N0";;;;;;;0.06;;-2.21;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM395237;MM395237;CC(C)C(C=CC#N)CF;GNNHAHXEXAYYGY-UHFFFAOYSA-N;141.19;2.31;;;;;DOPC;MDCG;27;0;"MARTINI bead: C3_Na";;;;;;;2.57;;0.45;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM395238;MM395238;CC=CCc1coc(=O)o1;ANQFHBJLLJMNMC-UHFFFAOYSA-N;140.14;1.35;;;;;DOPC;MDCG;27;0;"MARTINI bead: C2_SP1";;;;;;;2;;0.29;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM395239;MM395239;CC(O)C(C=CC=O)CO;WPWUKAWMTSSWMC-UHFFFAOYSA-N;144.17;-0.27;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_Na";;;;;;;-0.24;;-3.24;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM395240;MM395240;NN=CCc1coc(=O)o1;RBPYCPBTEXQXGZ-UHFFFAOYSA-N;142.11;-0.28;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nd_SP1";;;;;;;0.04;;-2.63;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM395241;MM395241;C=CC=CC(CN)C(C)F;BWFZUINTJMQJHK-UHFFFAOYSA-N;143.21;1.66;;;;;DOPC;MDCG;27;1;"MARTINI bead: C1_P2";;;;;;;1.8;;-1.56;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM395242;MM395242;O=c1occ(CC=NO)o1;YZFXMIHIUUKTLB-UHFFFAOYSA-N;143.1;0.24;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_SP1";;;;;;;-0.79;;-3.13;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM395243;MM395243;C=CC=CC(NC)C(C)C;VCZVMSFLWDDLBV-UHFFFAOYSA-N;139.24;1.97;;;;;DOPC;MDCG;27;1;"MARTINI bead: C5_C4";;;;;;;2.97;;0.02;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM395244;MM395244;O=c1occ(NC=NO)o1;DRCCWHNBUGBKIW-UHFFFAOYSA-N;144.09;0.06;;;;;DOPC;MDCG;27;0;"MARTINI bead: P3_SP1";;;;;;;-1.93;;-4.72;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM395245;MM395245;CNC(C=CC=O)C(C)C;CMIKYISZMDUSPN-UHFFFAOYSA-N;141.21;0.99;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_Na";;;;;;;0.87;;-4.29;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM395246;MM395246;CC=COc1coc(=O)o1;AXRNOUFKOHEFNC-UHFFFAOYSA-N;142.11;1.15;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_SP1";;;;;;;0.04;;-2.54;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM395247;MM395247;CNC(C=CC#N)C(C)C;HHQVBLKEDZLPRH-UHFFFAOYSA-N;138.21;1.31;;;;;DOPC;MDCG;27;1;"MARTINI bead: C5_P1";;;;;;;0.81;;-2.2;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM395248;MM395248;CCC1(C)C=CC(C)(O)C1;IBSHJXJQWSBGRH-UHFFFAOYSA-N;140.23;2.11;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC1_SNda";;;;;;;2.91;;0.57;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM395249;MM395249;COC(C=CC=O)C(C)O;MZYMRYZFFSONEZ-UHFFFAOYSA-N;144.17;0.14;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_Na";;;;;;;0.04;;-2.54;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM395250;MM395250;O=c1occ(OC=NO)o1;AYUYSJCIYGJYCP-UHFFFAOYSA-N;145.07;0.03;;;;;DOPC;MDCG;27;0;"MARTINI bead: P3_SP1";;;;;;;-1.93;;-4.72;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM395251;MM395251;COC(C=CC#N)C(C)O;ZMAHDUIGBRMHHG-UHFFFAOYSA-N;141.17;0.46;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_N0";;;;;;;0.34;;-1.53;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM395252;MM395252;CC=CCc1noc(=O)o1;MCMGVBHFRGYLRA-UHFFFAOYSA-N;141.13;0.75;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4_SP2";;;;;;;1.09;;-0.38;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM395253;MM395253;C=NN=CC(CC)C(C)C;RZTDRXGWHUJVPH-UHFFFAOYSA-N;140.23;2.36;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1_N0";;;;;;;3.21;;0.46;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM395254;MM395254;O=c1onc(CC=CF)o1;ZKLTXSZUDJHOAN-UHFFFAOYSA-N;145.09;0.65;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_SP2";;;;;;;0.54;;-1.09;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM395255;MM395255;C=NN=CC(CN)C(C)C;ZJRQLQYOFHEUED-UHFFFAOYSA-N;141.22;0.9;;;;;DOPC;MDCG;27;1;"MARTINI bead: C5_P1";;;;;;;0.81;;-2.91;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM395256;MM395256;NN=CCc1noc(=O)o1;PRICSBKPFQBFBF-UHFFFAOYSA-N;143.1;-0.89;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_SP2";;;;;;;-1.06;;-3.82;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM395257;MM395257;C=NN=CC(CC)C(C)N;BGYLGHOMYCYARM-UHFFFAOYSA-N;141.22;1.05;;;;;DOPC;MDCG;27;1;"MARTINI bead: C3_P1";;;;;;;1.74;;-1.98;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM395258;MM395258;O=c1onc(CC=NO)o1;KNQPZUZZEAECDX-UHFFFAOYSA-N;144.09;-0.37;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_SP2";;;;;;;-1.06;;-3.82;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM395259;MM395259;C=NN=CC(OC)C(C)O;GZCHCXDLCKHRPE-UHFFFAOYSA-N;144.17;0.07;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_N0";;;;;;;0.34;;-1.53;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM395260;MM395260;C=C(CCCC)C(C)(C)O;PMQLTEPDOMWIJU-UHFFFAOYSA-N;142.24;2.5;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1_Nda";;;;;;;2.91;;0.57;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM395261;MM395261;C=NN=CN(CC)C(C)C;QCTABERNXRUMKR-UHFFFAOYSA-N;141.22;1.36;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_N0";;;;;;;1.94;;0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM395262;MM395262;C=C(CCCF)C(C)(C)O;VHKIQPKJQCMYGL-UHFFFAOYSA-N;146.21;2.06;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda_C3";;;;;;;2.57;;0.44;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM395263;MM395263;C=NN=CN(OC)C(C)C;WSJFZARMYGIXHS-UHFFFAOYSA-N;143.19;0.9;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_N0";;;;;;;1.17;;-1.18;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM395264;MM395264;O=c1onc(NC=NO)o1;XPRILMBMOZNTTB-UHFFFAOYSA-N;145.07;-0.54;;;;;DOPC;MDCG;27;0;"MARTINI bead: P3_SP2";;;;;;;-2.2;;-5.19;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM395265;MM395265;CCN(N=CC=O)C(C)C;RZJUARWZVIGMSF-UHFFFAOYSA-N;142.2;0.9;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_P2";;;;;;;0.54;;-1.09;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM395266;MM395266;CC=COc1noc(=O)o1;FIYRMYUNGIYHMN-UHFFFAOYSA-N;143.1;0.54;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4_SP2";;;;;;;1.09;;-0.38;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM395267;MM395267;CCN(N=CC#N)C(C)C;ZEDXQAAGXDNCIO-UHFFFAOYSA-N;139.2;1.23;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_P1";;;;;;;0.81;;-0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM395268;MM395268;CCCC=C(C)C(C)(C)O;HQSGSAOXRZTIQG-UHFFFAOYSA-N;142.24;2.5;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1_Nda";;;;;;;2.91;;0.57;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM395269;MM395269;CCN(C=NC=O)N(C)C;HIWIOZMYWQGMOT-UHFFFAOYSA-N;143.19;-0.03;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_P3";;;;;;;-0.33;;-2.01;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM395270;MM395270;CC#CCc1coc(=O)o1;GKSLZYYSCUKLTE-UHFFFAOYSA-N;138.12;0.8;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4_SP1";;;;;;;1.37;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM395271;MM395271;C=NN=CN(CC)N(C)C;JGMQFINPFNVPEK-UHFFFAOYSA-N;142.21;0.43;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_N0";;;;;;;0.34;;-1.53;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM395272;MM395272;CC#CCc1noc(=O)o1;VMQNOSGOOJAMRX-UHFFFAOYSA-N;139.11;0.19;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4_SP2";;;;;;;1.09;;-0.38;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM395273;MM395273;C#CC=CC(CN)C(C)O;QZBFHIUKZGBLNZ-UHFFFAOYSA-N;139.2;0.13;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1_Nd";;;;;;;0.04;;-5.02;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM395274;MM395274;CCC=Cc1coc(=O)o1;MFRUYZZQDSVCDO-UHFFFAOYSA-N;140.14;1.66;;;;;DOPC;MDCG;27;0;"MARTINI bead: C3_SP1";;;;;;;1.74;;0.29;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM395275;MM395275;C#CC=CC(CO)C(C)O;AHHXFBUNDMDQLD-UHFFFAOYSA-N;140.18;0.17;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_N0";;;;;;;0.06;;-2.21;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM395276;MM395276;NCC=Cc1coc(=O)o1;LQPWHHJYFYKZGA-UHFFFAOYSA-N;141.13;0.2;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1_SP1";;;;;;;-0.79;;-5.22;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM395277;MM395277;C#CC=CC(CC)C(C)F;MMGUWSIGBNJZCW-UHFFFAOYSA-N;140.2;2.56;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1_C5";;;;;;;3.68;;0.46;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM395278;MM395278;O=c1occ(C=CCO)o1;IYSXMYQKPYAKBE-UHFFFAOYSA-N;142.11;0.24;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda_SP1";;;;;;;0.04;;-2.73;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM395279;MM395279;C#CC=CC(CF)C(C)F;AFVXAFLGCKGETA-UHFFFAOYSA-N;144.16;2.12;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_C4";;;;;;;2.97;;0.45;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM395280;MM395280;CCC=Cc1noc(=O)o1;VGMISJIPUORJLC-UHFFFAOYSA-N;141.13;1.05;;;;;DOPC;MDCG;27;0;"MARTINI bead: C3_SP2";;;;;;;1.46;;-0.15;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM395281;MM395281;C#CC=CC(CN)N(C)C;DOIXDRVPVHPDAK-UHFFFAOYSA-N;138.21;0.06;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1_N0";;;;;;;0.34;;-3.51;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM395282;MM395282;NCC=Cc1noc(=O)o1;SJUMOEIADKNVIJ-UHFFFAOYSA-N;142.11;-0.4;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1_SP2";;;;;;;-1.06;;-6.05;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM395283;MM395283;C=CC(C=CCN)C(C)C;XLHPKXPYEPOMAI-UHFFFAOYSA-N;139.24;1.96;;;;;DOPC;MDCG;27;1;"MARTINI bead: C1_P1";;;;;;;2.08;;-0.65;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM395284;MM395284;COC=Cc1noc(=O)o1;RFYBTORJLWCVGH-UHFFFAOYSA-N;143.1;0.24;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_SP2";;;;;;;-1.06;;-3.82;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM395285;MM395285;CCC=CC(C=O)C(C)C;PICKKDHLYCPBJV-UHFFFAOYSA-N;140.23;2.42;;;;;DOPC;MDCG;27;0;"MARTINI bead: C3_C5";;;;;;;3.34;;0.48;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM395286;MM395286;CC(=CCCF)C(C)(C)O;QSTWGJRXLRTXRU-UHFFFAOYSA-N;146.21;2.06;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4_C5";;;;;;;2.97;;0.45;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM395287;MM395287;C=CC(C=CCC)C(C)N;BZLVMCNJGSOGGQ-UHFFFAOYSA-N;139.24;2.1;;;;;DOPC;MDCG;27;1;"MARTINI bead: C1_P1";;;;;;;2.08;;-1.34;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM395288;MM395288;CON=Cc1noc(=O)o1;JKAWXZFZHZYZGG-UHFFFAOYSA-N;144.09;-0.39;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_SP2";;;;;;;-1.34;;-4.31;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM395289;MM395289;C=CC(C=CCF)C(C)N;NCXHNSGGNKZKEP-UHFFFAOYSA-N;143.21;1.66;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_Na";;;;;;;0.87;;-4.85;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM395290;MM395290;C=CC=Cc1coc(=O)o1;YUVOBDHJKUNIJK-UHFFFAOYSA-N;138.12;1.43;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4_SP1";;;;;;;1.37;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM395291;MM395291;C=CC(C=CCN)C(C)O;GNGWLNMXKBCECT-UHFFFAOYSA-N;141.21;0.68;;;;;DOPC;MDCG;27;1;"MARTINI bead: C5_P1";;;;;;;0.81;;-2.73;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM395292;MM395292;N#CC=Cc1coc(=O)o1;SAYGTMKDHKPWHM-UHFFFAOYSA-N;137.09;0.77;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP1_N0";;;;;;;0.34;;-1.53;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM395293;MM395293;C=CC(C=CCN)C(C)F;CSBWXTOOYRELEH-UHFFFAOYSA-N;143.21;1.66;;;;;DOPC;MDCG;27;1;"MARTINI bead: C3_P1";;;;;;;1.74;;-1.57;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM395294;MM395294;C=NN=Cc1coc(=O)o1;CAYYYKVJGWQBAG-UHFFFAOYSA-N;140.1;0.27;;;;;DOPC;MDCG;27;0;"MARTINI bead: N0_SP1";;;;;;;0.34;;-1.53;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM395295;MM395295;CC(F)C(C=O)C=CCF;HXLMETGUFWHULF-UHFFFAOYSA-N;148.15;1.69;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_Na";;;;;;;0.87;;-2.22;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM395296;MM395296;C=CC=Cc1noc(=O)o1;JYKKAGWTYVEVBS-UHFFFAOYSA-N;139.11;0.83;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4_SP2";;;;;;;1.09;;-0.38;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM395297;MM395297;C=CC(C=NNC)C(C)C;YJOMOSGAOJSFJU-UHFFFAOYSA-N;140.23;1.65;;;;;DOPC;MDCG;27;0;"MARTINI bead: P3_C1";;;;;;;0.94;;0.03;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM395298;MM395298;O=CC=Cc1noc(=O)o1;JXVUXEBLAWWIEP-UHFFFAOYSA-N;141.08;-0.16;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_SP2";;;;;;;-0.24;;-3.24;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM395299;MM395299;C=Cc1[nH]ccc1N;IOSXSHFLBAVVML-UHFFFAOYSA-N;108.14;1.24;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP1_SNd";;;;;;;0.04;;-2.63;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM395300;MM395300;N#CC=Cc1noc(=O)o1;IYKWLVRRRQXVLH-UHFFFAOYSA-N;138.08;0.16;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP2_P1";;;;;;;-1.06;;-3.82;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM395301;MM395301;CC(=O)C1N(C)C1(C)C;MYFPGPJJPKSTKG-UHFFFAOYSA-N;127.19;0.67;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_SNd";;;;;;;0.87;;-1.88;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM395302;MM395302;C=NN=Cc1noc(=O)o1;MEFSTMPVQUPYDQ-UHFFFAOYSA-N;141.09;-0.34;;;;;DOPC;MDCG;27;0;"MARTINI bead: N0_SP2";;;;;;;0.06;;-2.21;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM395303;MM395303;C=C(CC)C(C)(C)CO;TYODQQLEVVCXNB-UHFFFAOYSA-N;128.22;1.97;;;;;DOPC;MDCG;27;0;"MARTINI bead: C3_Nda";;;;;;;2.57;;0.44;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM395304;MM395304;C#CC=Cc1coc(=O)o1;LFATXZNDPGSAFW-UHFFFAOYSA-N;136.11;0.88;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP1_N0";;;;;;;0.34;;-1.53;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM395305;MM395305;C=CC(=C)C(C)(O)C=C;GDLIJOVVZAKIQH-UHFFFAOYSA-N;124.18;1.67;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda_C4";;;;;;;2.2;;0.49;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM395306;MM395306;C#CC=Cc1noc(=O)o1;YUPKXQJCCYARAO-UHFFFAOYSA-N;137.09;0.27;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP2_N0";;;;;;;0.06;;-2.21;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM395307;MM395307;CC=C(C)C(C)(C)CO;ZQAPKTXFVOPKBP-UHFFFAOYSA-N;128.22;1.97;;;;;DOPC;MDCG;27;0;"MARTINI bead: C2_Nda";;;;;;;2.83;;0.57;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM395308;MM395308;C=CC#CC1=CCC(C)C1;YLHSMOXOUYXPNL-UHFFFAOYSA-N;132.21;2.53;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC4_SC3";;;;;;;3.9;;0.47;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM395309;MM395309;CC=CC(C)(CC)CO;YEHDSBQAVPOJQA-UHFFFAOYSA-N;128.22;1.97;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_C4";;;;;;;2.97;;0.45;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM395310;MM395310;CC1CC=C(C#CC#N)C1;RFZVRCRRHWSSAU-UHFFFAOYSA-N;131.18;1.87;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC4_SC5";;;;;;;2.97;;0.45;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM395311;MM395311;CC(C)N(C=N)C=CCO;FJDCGCCPNVVVMH-UHFFFAOYSA-N;142.2;0.81;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1_Nda";;;;;;;0.04;;-6.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM395312;MM395312;C=CC#CC1=CCC(N)C1;LWSLYESXSGSJMT-UHFFFAOYSA-N;133.19;1.22;;;;;DOPC;MDCG;27;1;"MARTINI bead: SNd_SC3";;;;;;;2.57;;-1.64;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM395313;MM395313;CCC=CN(C=O)C(C)C;DXJNAWZMLYGZAV-UHFFFAOYSA-N;141.21;1.78;;;;;DOPC;MDCG;27;0;"MARTINI bead: C3_P1";;;;;;;1.74;;0.29;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM395314;MM395314;C=CNC(=NN)C(C)(C)F;HUBMVRIYFMSLLF-UHFFFAOYSA-N;145.18;0.74;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_P1";;;;;;;0.81;;-0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM395315;MM395315;CON=CN(C=O)C(C)C;GKBBEITWWOZSGQ-UHFFFAOYSA-N;144.17;0.44;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_Nda";;;;;;;-0.24;;-3.31;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM395316;MM395316;CN(C=NN)OCC(F)F;BYUQPADSVHYITM-UHFFFAOYSA-N;153.13;0.02;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_N0";;;;;;;0.06;;-2.21;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM395317;MM395317;C=NN(C=NCC)C(C)C;MULHRTUBMWZHCG-UHFFFAOYSA-N;141.22;1.36;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_P1";;;;;;;0.81;;-0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM395318;MM395318;C=CC#CC1=CCC(F)C1;KAMRAKGTYGUWRK-UHFFFAOYSA-N;136.17;2.23;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC5_SC3";;;;;;;3.34;;0.48;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM395319;MM395319;C=CC1C=CC(C)(O)C1;JGIOLLPAYONIMF-UHFFFAOYSA-N;124.18;1.5;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNda_SC4";;;;;;;2.2;;0.49;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM395320;MM395320;N#CC#CC1=CCC(F)C1;QDGFNLCIACOHPE-UHFFFAOYSA-N;135.14;1.57;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC5_SC5";;;;;;;2.41;;0.64;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM395321;MM395321;CCC=NN(C=O)C(C)C;PPUPIRUDPNBCIZ-UHFFFAOYSA-N;142.2;1.25;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_P2";;;;;;;0.54;;-1.09;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM395322;MM395322;C=CC#CC1=COC(C)C1;HOFVMCQTIKRZMA-UHFFFAOYSA-N;134.18;1.87;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNa_SC5";;;;;;;1.64;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM395323;MM395323;CN(C)N(C=N)C=CCF;WZLNDWUNVGLJIR-UHFFFAOYSA-N;145.18;0.86;;;;;DOPC;MDCG;27;1;"MARTINI bead: P3_C5";;;;;;;-0.33;;-4.25;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM395324;MM395324;CC1CC(C#CC#N)=CO1;UOXFORIVUFCIKQ-UHFFFAOYSA-N;133.15;1.21;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNa_SN0";;;;;;;1.17;;-1.18;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM395325;MM395325;CCN=CN(C=O)N(C)C;HJWCVEJBKIDPPW-UHFFFAOYSA-N;143.19;-0.03;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_P3";;;;;;;-0.33;;-2.01;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM395326;MM395326;C=CC#CC1=NNC(C)C1;RKRZWBVDIVVFNU-UHFFFAOYSA-N;134.18;0.91;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP1_SN0";;;;;;;0.34;;-1.53;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM395327;MM395327;C=CC(C=CC=O)C(C)C;PUSPXOWWVQGSAM-UHFFFAOYSA-N;138.21;2.2;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1_Na";;;;;;;2.91;;0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM395328;MM395328;CC1CC(C#CC#N)=NN1;BTUPMTUMHHHXEB-UHFFFAOYSA-N;133.15;0.25;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP1_SN0";;;;;;;0.34;;-1.53;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM395329;MM395329;C=CC=CC(C=O)C(C)C;FRGZBFRYTZEQCP-UHFFFAOYSA-N;138.21;2.2;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_C4";;;;;;;2.97;;0.45;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM395330;MM395330;CC1CC(C#CC#N)=NO1;ODSVICZCESRWAF-UHFFFAOYSA-N;134.14;0.68;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNa_SP1";;;;;;;0.04;;-2.54;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM395331;MM395331;CC(C)C(C=O)C=CC=O;HJYODPBGQUWOMO-UHFFFAOYSA-N;140.18;1.21;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_Na";;;;;;;1.64;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM395332;MM395332;CC1CN=C(C#CC#N)N1;IKWRWJRGYCDPBM-UHFFFAOYSA-N;133.15;-0.1;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP1_SP1";;;;;;;-0.79;;-3.13;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM395333;MM395333;CC(C)C(C#N)C=CC=O;XAHJMAZJYSNWLA-UHFFFAOYSA-N;137.18;1.54;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_Na";;;;;;;1.64;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM395334;MM395334;CC1CC=C(C#CC#N)O1;XNCYZUSYAUITFP-UHFFFAOYSA-N;133.15;1.21;;;;;DOPC;MDCG;27;0;"MARTINI bead: SN0_SNa";;;;;;;1.17;;-1.18;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM395335;MM395335;CC(C)C(C=O)C=CC#N;WSRXRGVETRMOHY-UHFFFAOYSA-N;137.18;1.54;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_N0";;;;;;;1.94;;0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM395336;MM395336;CC1OC=C(C#CC#N)O1;CTGYYOPCQOSFGV-UHFFFAOYSA-N;135.12;0.75;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNa_SNa";;;;;;;0.87;;-2.22;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM395337;MM395337;CC(C)C(C#N)C=CC#N;APHRVKOPMITDCQ-UHFFFAOYSA-N;134.18;1.86;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_P1";;;;;;;0.81;;-0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM395338;MM395338;C#CC#CC1=CCC(C)C1;XAQGWLRBDLRFIB-UHFFFAOYSA-N;130.19;1.98;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC4_SC4";;;;;;;3.53;;0.53;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM395339;MM395339;CC(O)C(C#N)C=CC=O;KNZJEULEJQDHPY-UHFFFAOYSA-N;139.15;0.26;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_Na";;;;;;;0.04;;-2.54;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM395340;MM395340;C#CC#CC1=CCC(N)C1;ZYSSFCKVTLSIGZ-UHFFFAOYSA-N;131.18;0.67;;;;;DOPC;MDCG;27;1;"MARTINI bead: SNd_SC4";;;;;;;2.2;;-2.35;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM395341;MM395341;CC(O)C(C=O)C=CC#N;OZYCGJJMYNTDRB-UHFFFAOYSA-N;139.15;0.26;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_N0";;;;;;;0.34;;-1.53;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM395342;MM395342;CC(C)C=NN(C)C=NN;USDUJDRESVYFEH-UHFFFAOYSA-N;142.21;0.46;;;;;DOPC;MDCG;27;0;"MARTINI bead: N0_P1";;;;;;;0.34;;-1.53;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM395343;MM395343;C=CC=CC(C=O)C(C)F;YKRZGQFFTPCKAS-UHFFFAOYSA-N;142.17;1.9;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_C4";;;;;;;2.2;;0.34;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM395344;MM395344;C#CC#CC1=CCC(F)C1;FDSYOFAQBHTUCG-UHFFFAOYSA-N;134.15;1.68;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC5_SC4";;;;;;;2.97;;0.45;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM395345;MM395345;N#CC(C=CC=O)C(F)F;SYOPJSZLMFZNHO-UHFFFAOYSA-N;145.11;1.15;;;;;DOPC;MDCG;27;0;"MARTINI bead: N0_Na";;;;;;;1.17;;-1.18;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM395346;MM395346;C#CC#CC1=COC(C)C1;NSGRJSPWTUBBGE-UHFFFAOYSA-N;132.16;1.32;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNa_SC5";;;;;;;1.64;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM395347;MM395347;C=CC(C=NN=C)C(C)C;DDOXLNYNUNCVHA-UHFFFAOYSA-N;138.21;2.13;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1_N0";;;;;;;3.21;;0.46;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM395348;MM395348;C#CC#CC1=NNC(C)C1;HZDQMCXACCVXBC-UHFFFAOYSA-N;132.17;0.36;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP1_SN0";;;;;;;0.34;;-1.53;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM395349;MM395349;C=CC1=CC(C)(O)CC1;BSYRLHYUUFRDIQ-UHFFFAOYSA-N;124.18;1.64;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNda_SC3";;;;;;;2.57;;0.44;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM395350;MM395350;C#CC#CC1=NOC(C)C1;GNABCOYACYWGMA-UHFFFAOYSA-N;133.15;0.79;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNa_SN0";;;;;;;1.17;;-1.18;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM395351;MM395351;C=CC(C=NN=C)C(C)N;KZINKETVNUOIQA-UHFFFAOYSA-N;139.2;0.82;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_N0";;;;;;;1.17;;-3.66;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM395352;MM395352;C#CC#CC1=CCC(C)O1;HCJJKJJKLPLTJJ-UHFFFAOYSA-N;132.16;1.32;;;;;DOPC;MDCG;27;0;"MARTINI bead: SN0_SC5";;;;;;;1.94;;0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM395353;MM395353;C=NN=CC(C=O)C(C)O;HVGCJQNGGSEIRF-UHFFFAOYSA-N;142.16;-0.13;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_N0";;;;;;;0.34;;-1.53;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM395354;MM395354;C#CC#CC1=COC(C)O1;DNTSUWVQSFLXQK-UHFFFAOYSA-N;134.13;0.86;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNa_SNa";;;;;;;0.87;;-2.22;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM395355;MM395355;C=NN=CC(C#N)C(C)O;ZKYCJOKZOGZMMD-UHFFFAOYSA-N;139.16;0.19;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_C5";;;;;;;0.81;;-0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM395356;MM395356;C#CC#CC1=NOC(C)O1;YFQIPLSKSOCFQA-UHFFFAOYSA-N;135.12;0.33;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP1_SNa";;;;;;;0.04;;-2.54;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM395357;MM395357;CN(C)C(C#N)C=CC=O;JADXXIKWTSUYFE-UHFFFAOYSA-N;138.17;0.2;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_Na";;;;;;;0.04;;-2.54;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM395358;MM395358;CCC#Cc1coc(=O)o1;YTIOAJFTTMQAAP-UHFFFAOYSA-N;138.12;0.99;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_SP1";;;;;;;0.81;;-0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM395359;MM395359;C#CC(=C)CC(O)CC;ZPLNFKJLLQPHGI-UHFFFAOYSA-N;124.18;1.34;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda_C5";;;;;;;1.64;;0.05;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM395360;MM395360;O=c1occ(C#CCO)o1;LHKZYIYSDUXQTK-UHFFFAOYSA-N;140.09;-0.42;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_SP1";;;;;;;-1.06;;-3.82;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM395361;MM395361;CCCC1C(O)C1(C)C;QXYZXGHKKUVDFU-UHFFFAOYSA-N;128.22;1.8;;;;;DOPC;MDCG;27;0;"MARTINI bead: C3_SNda";;;;;;;2.57;;0.44;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM395362;MM395362;O=c1occ(C#CCF)o1;XZKQVBZCOXXJBA-UHFFFAOYSA-N;142.09;0.55;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_SP1";;;;;;;0.04;;-2.54;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM395363;MM395363;C=NN=CC(C#N)N(C)C;JJCFTFQYUXZRTJ-UHFFFAOYSA-N;138.17;0.13;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_N0";;;;;;;0.34;;-1.53;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM395364;MM395364;CCC#Cc1noc(=O)o1;CTFZSQHNVDKIPI-UHFFFAOYSA-N;139.11;0.39;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_SP2";;;;;;;0.54;;-1.09;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM395365;MM395365;C=CC=CN(C=O)C(C)C;DYBMRCIWKXGVOR-UHFFFAOYSA-N;139.2;1.55;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_C4";;;;;;;1.37;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM395366;MM395366;NCC#Cc1noc(=O)o1;HPFYTKULDVLQSZ-UHFFFAOYSA-N;140.1;-1.06;;;;;DOPC;MDCG;27;1;"MARTINI bead: P2_SP2";;;;;;;-1.34;;-5.32;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM395367;MM395367;CC(C)N(C=O)C=CC#N;JTYDWIGTNBSWLA-UHFFFAOYSA-N;138.17;0.89;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_N0";;;;;;;0.34;;-1.53;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM395368;MM395368;O=c1onc(C#CCO)o1;DRSNOPQGLKLGNG-UHFFFAOYSA-N;141.08;-1.03;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_SP2";;;;;;;-1.34;;-4.31;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM395369;MM395369;C=CC=NN(C=N)C(C)C;KGHZDXDJRFQHLV-UHFFFAOYSA-N;139.2;1.48;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_C4";;;;;;;1.37;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM395370;MM395370;O=c1onc(C#CCF)o1;KYYAKHGTJIRXLG-UHFFFAOYSA-N;143.07;-0.05;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_SP2";;;;;;;-0.24;;-3.24;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM395371;MM395371;CC(C)N(C=O)N=CC=O;ADZKEYVYODICIN-UHFFFAOYSA-N;142.16;0.04;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_Na";;;;;;;0.04;;-2.54;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM395372;MM395372;C=CC#CC1=CCC(=C)C1;PJSSZZRPDLVFBZ-UHFFFAOYSA-N;130.19;2.45;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC3_SC5";;;;;;;3.34;;0.48;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM395373;MM395373;CC(C)N(C=O)N=CC#N;GEOCUFRDOBFTPN-UHFFFAOYSA-N;139.16;0.36;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_N0";;;;;;;0.06;;-2.21;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM395374;MM395374;C=C1CC=C(C#CC#N)C1;BUEGMOXSDBPSBS-UHFFFAOYSA-N;129.16;1.79;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC5_SC5";;;;;;;2.41;;0.64;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM395375;MM395375;CN(C)N(C=O)C=CC=O;ZUZPOOMHNKWBJI-UHFFFAOYSA-N;142.16;-0.37;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_Na";;;;;;;-0.24;;-3.24;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM395376;MM395376;C=CC#CC1=CCC(=O)C1;ONMBOHRRIPCIIB-UHFFFAOYSA-N;132.16;1.47;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC3_SNa";;;;;;;2.57;;0.45;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM395377;MM395377;C#CC=CC(C=O)C(C)O;SNQFYTLJFDQSAC-UHFFFAOYSA-N;138.17;0.37;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_N0";;;;;;;0.34;;-1.53;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM395378;MM395378;N#CC#CC1=CCC(=O)C1;FGPPTWWJDADNLX-UHFFFAOYSA-N;131.13;0.8;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNa_SC5";;;;;;;1.64;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM395379;MM395379;C#CC=CC(C=C)C(C)F;HLUVWWQOVLHQMM-UHFFFAOYSA-N;138.19;2.34;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_C2";;;;;;;3.6;;0.34;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM395380;MM395380;C=CC#CC1=CNC(=N)C1;YTNRZMUXXDKDBI-UHFFFAOYSA-N;132.17;1.03;;;;;DOPC;MDCG;27;1;"MARTINI bead: SN0_SP1";;;;;;;0.34;;-4.64;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM395381;MM395381;C#CC=CC(C#N)N(C)C;NRPQAYSFIRLLOE-UHFFFAOYSA-N;134.18;0.63;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_N0";;;;;;;0.34;;-1.53;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM395382;MM395382;N#CC#CC1=CNC(=N)C1;GMMWLSOYFJIPEE-UHFFFAOYSA-N;131.14;0.37;;;;;DOPC;MDCG;27;1;"MARTINI bead: SP1_SN0";;;;;;;0.34;;-4.59;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM395383;MM395383;C#CC=CN(C=O)N(C)C;XWABGVFOWJIGOZ-UHFFFAOYSA-N;138.17;0.07;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_N0";;;;;;;0.06;;-2.21;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM395384;MM395384;C=CC#CC1=CNC(=O)C1;IZPGBGOIHDGFSU-UHFFFAOYSA-N;133.15;0.58;;;;;DOPC;MDCG;27;0;"MARTINI bead: SN0_SP2";;;;;;;0.06;;-2.21;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM395385;MM395385;C#CC(C=CCO)C(C)C;IZXYDKCDRZBWOM-UHFFFAOYSA-N;138.21;1.44;;;;;DOPC;MDCG;27;0;"MARTINI bead: C3_Nda";;;;;;;2.57;;0.44;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM395386;MM395386;N#CC#CC1=CNC(=O)C1;UMBSSMUQRAAZSE-UHFFFAOYSA-N;132.12;-0.08;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP2_SN0";;;;;;;0.06;;-2.21;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM395387;MM395387;C#CC(C=CCO)C(C)O;DUNZPXNCUJPNDL-UHFFFAOYSA-N;140.18;0.17;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_Nda";;;;;;;0.04;;-2.73;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM395388;MM395388;C=CC#CC1=COC(=C)C1;LNQDNVWABLYKOD-UHFFFAOYSA-N;132.16;1.99;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC5_SC5";;;;;;;2.41;;0.64;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM395389;MM395389;C#CC(C=CCN)C(C)F;VWJOQXMDFRBLAU-UHFFFAOYSA-N;141.19;1.11;;;;;DOPC;MDCG;27;1;"MARTINI bead: C4_P1";;;;;;;1.37;;-2.18;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM395390;MM395390;C=C1CC(C#CC#N)=CO1;WITIBKXEKCRRSN-UHFFFAOYSA-N;131.13;1.33;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC5_SN0";;;;;;;1.94;;0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM395391;MM395391;C#CC(C=CC=O)C(C)C;LIFLQNUNVILUNL-UHFFFAOYSA-N;136.19;1.65;;;;;DOPC;MDCG;27;0;"MARTINI bead: C3_Na";;;;;;;2.57;;0.45;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM395392;MM395392;C=CC#CC1=COC(=O)C1;TXQZYFRCTYAIBS-UHFFFAOYSA-N;134.13;1.01;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC5_SNa";;;;;;;1.64;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM395393;MM395393;C#CC(C=CC#N)C(C)C;UIVNDMZGKBFXHU-UHFFFAOYSA-N;133.19;1.97;;;;;DOPC;MDCG;27;0;"MARTINI bead: C3_N0";;;;;;;2.87;;0.37;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM395394;MM395394;N#CC#CC1=COC(=O)C1;FRYNDAXAOZGTKM-UHFFFAOYSA-N;133.11;0.34;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNa_SN0";;;;;;;1.17;;-1.18;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM395395;MM395395;C#CC(C=CC=O)C(C)F;RONWLSDIFIVNLG-UHFFFAOYSA-N;140.16;1.35;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4_Na";;;;;;;2.2;;0.34;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM395396;MM395396;CN(C)N=CN(N)C=NN;ZBKBWIMXGIRFTR-UHFFFAOYSA-N;144.18;-1.43;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_P2";;;;;;;-1.34;;-4.31;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM395397;MM395397;C#CC(C=CC#N)C(C)F;WGPRYQHEKILBKE-UHFFFAOYSA-N;137.16;1.67;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_N0";;;;;;;1.94;;0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM395398;MM395398;CN(N)C=NN(C)C=NN;JTTVZUGSPWJKNC-UHFFFAOYSA-N;144.18;-1.43;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_P2";;;;;;;-1.34;;-4.31;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM395399;MM395399;C#CC(C=NN=C)C(C)C;CTPBSFBUVPTXBT-UHFFFAOYSA-N;136.2;1.58;;;;;DOPC;MDCG;27;0;"MARTINI bead: C3_N0";;;;;;;2.87;;0.37;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM395400;MM395400;C=CC#CC1=NNC(=O)C1;ZGOATLPHSPARSH-UHFFFAOYSA-N;134.14;0.05;;;;;DOPC;MDCG;27;0;"MARTINI bead: SN0_SP1";;;;;;;0.34;;-1.53;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM395401;MM395401;C#CC(C=NN=C)C(C)N;JFBISULLMNOEOW-UHFFFAOYSA-N;137.19;0.27;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1_C5";;;;;;;0.81;;-2.8;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM395402;MM395402;N#CC#CC1=NNC(=O)C1;CIZXNXBBNFKYMD-UHFFFAOYSA-N;133.11;-0.61;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP1_SN0";;;;;;;0.34;;-1.53;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM395403;MM395403;C#CC(C=NN=C)N(C)C;POCZKOVGMJNLME-UHFFFAOYSA-N;137.19;0.24;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_C5";;;;;;;0.81;;-0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM395404;MM395404;N#CC#CC1=NOC(=O)C1;VUKJHUVJSSYHMO-UHFFFAOYSA-N;134.09;-0.18;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP1_SP1";;;;;;;-0.79;;-3.13;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM395405;MM395405;CCC(C=CCN)C(N)=O;PUKSJBZMTXDHCC-UHFFFAOYSA-N;142.2;0.01;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1_P1";;;;;;;-0.79;;-5.08;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM395406;MM395406;C=CC#CC1=CCC(=N)N1;CDTZEJICYCJGMZ-UHFFFAOYSA-N;132.17;1.03;;;;;DOPC;MDCG;27;1;"MARTINI bead: SN0_SP1";;;;;;;0.34;;-4.36;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM395407;MM395407;NC(=NO)C(O)C(=O)O;UWBHIJNLGPVOTD-UHFFFAOYSA-N;134.09;-1.82;;;;;DOPC;MDCG;27;0;"MARTINI bead: P3_P2";;;;;;;-2.2;;-9.08;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM395408;MM395408;N#CC#CC1=CCC(=N)N1;ZXCZDWONAGCMCQ-UHFFFAOYSA-N;131.14;0.37;;;;;DOPC;MDCG;27;1;"MARTINI bead: SP1_SN0";;;;;;;0.34;;-4.17;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM395409;MM395409;N=c1nc2nconc-2[nH]1;AIKYWDWSXQJNGJ-UHFFFAOYSA-N;137.1;-0.62;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP2_SNda";;;;;;;-0.24;;-7.36;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM395410;MM395410;C=CC#CC1=CCC(=O)N1;XKHMYUCSHKUJMA-UHFFFAOYSA-N;133.15;0.58;;;;;DOPC;MDCG;27;0;"MARTINI bead: SN0_SP2";;;;;;;0.06;;-2.21;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM395411;MM395411;COC=CC(CO)C(=N)N;SEIVIVFHNNPPLQ-UHFFFAOYSA-N;144.17;-0.31;;;;;DOPC;MDCG;27;1;"MARTINI bead: Na_P4";;;;;;;-1.19;;-8.26;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM395412;MM395412;N#CC#CC1=CCC(=O)N1;DNUYOIXTGJIEJU-UHFFFAOYSA-N;132.12;-0.08;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP2_SN0";;;;;;;0.06;;-2.21;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM395413;MM395413;COC=CC(CF)C(N)=O;PWLCBCBKPTZFAV-UHFFFAOYSA-N;147.15;0.22;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_P1";;;;;;;0.04;;-2.54;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM395414;MM395414;C=CC#Cc1c[nH]c(=N)[nH]1;QWTCBIZZFLEWNO-UHFFFAOYSA-N;133.15;0.36;;;;;DOPC;MDCG;27;1;"MARTINI bead: SNd_SP2";;;;;;;-0.24;;-5.82;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM395415;MM395415;CCc1oc(=O)oc1O;ZBZXKQBQUWFVCY-UHFFFAOYSA-N;130.1;0.5;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_SP2";;;;;;;0.54;;-5.14;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM395416;MM395416;N#CC#Cc1c[nH]c(=N)[nH]1;VYCWQXHXLHUNRU-UHFFFAOYSA-N;132.13;-0.3;;;;;DOPC;MDCG;27;1;"MARTINI bead: SP2_SNd";;;;;;;-0.24;;-5.46;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM395417;MM395417;C=C(C)C(C=CCC)NC;FVQMZHPYDSROBM-UHFFFAOYSA-N;139.24;2.12;;;;;DOPC;MDCG;27;1;"MARTINI bead: C3_Nd";;;;;;;2.57;;-0.59;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM395418;MM395418;C=CC#Cc1c[nH]c(=O)[nH]1;ATUPJXIQBRLMNG-UHFFFAOYSA-N;134.14;0.24;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNd_SP3";;;;;;;-1.1;;-3.93;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM395419;MM395419;C=C(C)C(C=CCF)NC;QSPKTZLNSITPLY-UHFFFAOYSA-N;143.21;1.68;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_Na";;;;;;;0.87;;-3.72;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM395420;MM395420;N#CC#Cc1c[nH]c(=O)[nH]1;WKHVULPAWWYQQQ-UHFFFAOYSA-N;133.11;-0.42;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP3_SNd";;;;;;;-1.1;;-3.93;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM395421;MM395421;CNC(C=COC)C(=N)N;MRGKRFISVVXECQ-UHFFFAOYSA-N;143.19;-0.33;;;;;DOPC;MDCG;27;1;"MARTINI bead: Na_P4";;;;;;;-1.19;;-7.88;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM395422;MM395422;N#CC#Cc1coc(=O)[nH]1;RXXRCSSBTRQPAQ-UHFFFAOYSA-N;134.09;-0.16;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP2_SNd";;;;;;;-0.24;;-3.16;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM395423;MM395423;CCC=CC(OC)C(=N)N;YKDHAKMGMATFIO-UHFFFAOYSA-N;142.2;0.9;;;;;DOPC;MDCG;27;1;"MARTINI bead: C3_P3";;;;;;;0.6;;-4.12;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM395424;MM395424;C=C1CN=C(C#CC#N)N1;KJVLOQBODQPRPB-UHFFFAOYSA-N;131.14;0.03;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNd_SP1";;;;;;;0.04;;-2.63;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM395425;MM395425;COC(C=CCN)C(=N)N;NNIFOCDQGGVIRH-UHFFFAOYSA-N;143.19;-0.55;;;;;DOPC;MDCG;27;1;"MARTINI bead: P2_P1";;;;;;;-1.06;;-7.31;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM395426;MM395426;CC(=N)N=CN(N)C=NN;YPCKPTFHFIMHAM-UHFFFAOYSA-N;142.17;-0.91;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nd_P3";;;;;;;-1.1;;-3.93;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM395427;MM395427;COC(C=CCO)C(=N)N;DURDYXGXNYYXBA-UHFFFAOYSA-N;144.17;-0.51;;;;;DOPC;MDCG;27;1;"MARTINI bead: P2_P1";;;;;;;-1.06;;-7.3;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM395428;MM395428;N#CC#CC1=NCC(=O)N1;ZUGNVPBHNSHFJQ-UHFFFAOYSA-N;133.11;-0.96;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP3_SP1";;;;;;;-1.93;;-4.72;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM395429;MM395429;COC(C=CCF)C(=N)N;MRCCPIKRNQYNNL-UHFFFAOYSA-N;146.17;0.46;;;;;DOPC;MDCG;27;1;"MARTINI bead: P2_Na";;;;;;;-0.24;;-6.72;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM395430;MM395430;CC(O)c1oc(=O)oc1O;MNLGPEHIUOCSFO-UHFFFAOYSA-N;146.1;-0.01;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_SP2";;;;;;;-1.06;;-8.29;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM395431;MM395431;CCC=CC(OC)C(N)=O;YLJWSBGHSQHJJG-UHFFFAOYSA-N;143.19;0.45;;;;;DOPC;MDCG;27;0;"MARTINI bead: C3_P3";;;;;;;0.6;;-0.8;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM395432;MM395432;N#Cc1onc(O)c1O;XKBUYUXRQLKCSZ-UHFFFAOYSA-N;126.07;-0.04;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNda_SNda";;;;;;;0.87;;-6.66;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM395433;MM395433;COC(C=CCF)C(N)=O;NBBQYMYKEBGHPP-UHFFFAOYSA-N;147.15;0.01;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_Na";;;;;;;-0.24;;-3.24;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM395434;MM395434;C=CC#CC1=CCC(=C)O1;WSIPJZSGPNIBBL-UHFFFAOYSA-N;132.16;1.99;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC5_SC5";;;;;;;2.41;;0.64;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM395435;MM395435;COC=CC(OC)C(=N)N;GOSCOCBERDTAOO-UHFFFAOYSA-N;144.17;0.1;;;;;DOPC;MDCG;27;1;"MARTINI bead: Na_P2";;;;;;;-0.24;;-6.67;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM395436;MM395436;C=C1CC=C(C#CC#N)O1;XRLVJPRPPMFAFY-UHFFFAOYSA-N;131.13;1.33;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC5_SNa";;;;;;;1.64;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM395437;MM395437;C=C(C)C(C=NNC)CC;OSBRGDOTMNPEEL-UHFFFAOYSA-N;140.23;1.79;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1_P2";;;;;;;1.8;;0.4;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM395438;MM395438;C=CC#CC1=CCC(=O)O1;IFCAVSVKKMXAGQ-UHFFFAOYSA-N;134.13;1.01;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC5_SNa";;;;;;;1.64;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM395439;MM395439;CNN=CC(CO)C(=N)N;LJDTYVSCTLHEMX-UHFFFAOYSA-N;144.18;-1.26;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1_P3";;;;;;;-1.93;;-8.36;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM395440;MM395440;N#CC#CC1=CCC(=O)O1;PQQDBUSDTKSSPU-UHFFFAOYSA-N;133.11;0.34;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNa_SN0";;;;;;;1.17;;-1.18;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM395441;MM395441;C#CC(=C)C(C)C(C)O;HYBJNOJBHBIBBE-UHFFFAOYSA-N;124.18;1.19;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_C4";;;;;;;1.37;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM395442;MM395442;N#CC#Cc1c[nH]c(=O)o1;TVIUTCYRSUQVTJ-UHFFFAOYSA-N;134.09;-0.16;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP2_SN0";;;;;;;0.06;;-2.21;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM395443;MM395443;Cc1[nH]c(N=N)cc1N;OZXCHOWDRDDBQP-UHFFFAOYSA-N;124.15;1.57;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP1_SNd";;;;;;;0.04;;-2.63;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM395444;MM395444;C=CC#Cc1coc(=O)o1;BOWABFYTLQSAAN-UHFFFAOYSA-N;136.11;0.77;;;;;DOPC;MDCG;27;0;"MARTINI bead: N0_SP1";;;;;;;0.34;;-1.53;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM395445;MM395445;C=C(C)C(C=NNC)OC;PDKVCQUGLNYFTG-UHFFFAOYSA-N;142.2;0.78;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_C5";;;;;;;0.54;;-1.09;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM395446;MM395446;O=CC#Cc1coc(=O)o1;UJZGFEOEKDXHCW-UHFFFAOYSA-N;138.08;-0.22;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_SP1";;;;;;;-0.79;;-3.13;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM395447;MM395447;N=c1nc(F)c(N)no1;AIHFSZXDWAWLAZ-UHFFFAOYSA-N;130.08;-0.73;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP3_SP2";;;;;;;-2.2;;-5.19;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM395448;MM395448;N#CC#Cc1coc(=O)o1;YNYNICHJNTZPPW-UHFFFAOYSA-N;135.08;0.11;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP1_N0";;;;;;;0.34;;-1.53;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM395449;MM395449;CCN(C=CCN)C(C)=N;MGRBZIKWOGBFIB-UHFFFAOYSA-N;141.22;0.78;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_P1";;;;;;;0.04;;-7.04;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM395450;MM395450;C=CC#Cc1noc(=O)o1;DYWVLPKZQAXFOJ-UHFFFAOYSA-N;137.09;0.17;;;;;DOPC;MDCG;27;0;"MARTINI bead: N0_SP2";;;;;;;0.06;;-2.21;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM395451;MM395451;CCN(C=COC)C(=N)N;NNWGJIAAPURUJU-UHFFFAOYSA-N;143.19;0.32;;;;;DOPC;MDCG;27;1;"MARTINI bead: P2_Na";;;;;;;-0.24;;-7.38;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM395452;MM395452;O=CC#Cc1noc(=O)o1;JOZDMWUVGAHSPR-UHFFFAOYSA-N;139.07;-0.82;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_SP2";;;;;;;-1.06;;-3.82;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM395453;MM395453;CCC=CN(NC)C(C)=N;CSTWZFPHWAFQMY-UHFFFAOYSA-N;141.22;1.34;;;;;DOPC;MDCG;27;1;"MARTINI bead: C3_P4";;;;;;;0.52;;-4.61;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM395454;MM395454;N#CC#Cc1noc(=O)o1;KHRYKCMZMCFCCI-UHFFFAOYSA-N;136.07;-0.5;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP2_N0";;;;;;;0.06;;-2.21;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM395455;MM395455;CCC=CN(NC)C(C)=O;UKXHNJMEOVMXKX-UHFFFAOYSA-N;142.2;0.89;;;;;DOPC;MDCG;27;0;"MARTINI bead: C3_P3";;;;;;;0.6;;-0.8;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM395456;MM395456;C#CC#CC1=CCC(=C)C1;AVWUKLPYFPICOK-UHFFFAOYSA-N;128.17;1.9;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC5_SC4";;;;;;;2.97;;0.45;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM395457;MM395457;CNN(C=CCN)C(=N)N;PTXFYFLDEANCDM-UHFFFAOYSA-N;143.19;-1.21;;;;;DOPC;MDCG;27;1;"MARTINI bead: P4_P1";;;;;;;-2.01;;-8.78;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM395458;MM395458;C#CC#CC1=CCC(=O)C1;YOLJFLFLHOZKDW-UHFFFAOYSA-N;130.15;0.91;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNa_SC4";;;;;;;2.2;;0.34;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM395459;MM395459;CNN(C=CCN)C(N)=O;RWBKHRMQLJGOJY-UHFFFAOYSA-N;144.18;-1.03;;;;;DOPC;MDCG;27;1;"MARTINI bead: P3_P1";;;;;;;-1.93;;-6.51;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM395460;MM395460;C#CC#CC1=CNC(=N)C1;YLUCILQEEBHAHG-UHFFFAOYSA-N;130.15;0.48;;;;;DOPC;MDCG;27;1;"MARTINI bead: SP1_SN0";;;;;;;0.34;;-4.61;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM395461;MM395461;CC1ON=C(CC#N)O1;GEZCTZVLKQMKLV-UHFFFAOYSA-N;126.12;0.61;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP1_SP1";;;;;;;-0.79;;-3.13;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM395462;MM395462;C#CC#CC1=CNC(=O)C1;KFKIKUIRCHTWTL-UHFFFAOYSA-N;131.13;0.03;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP2_SN0";;;;;;;0.06;;-2.21;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM395463;MM395463;CCNc1ccc(C)[nH]1;DAWGIRWPKULAQU-UHFFFAOYSA-N;124.19;1.75;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC5_SN0";;;;;;;1.94;;0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM395464;MM395464;C#CC#CC1=COC(=C)C1;LESVHCXCFNUCCT-UHFFFAOYSA-N;130.15;1.44;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC5_SC5";;;;;;;2.41;;0.64;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM395465;MM395465;CNN(C=COC)C(=N)N;BCNNUQHDOVSXAV-UHFFFAOYSA-N;144.18;-0.57;;;;;DOPC;MDCG;27;1;"MARTINI bead: P4_Na";;;;;;;-1.19;;-8.09;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM395466;MM395466;C#CC#CC1=COC(=O)C1;YJISDEKCZOMIPD-UHFFFAOYSA-N;132.12;0.45;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNa_SC5";;;;;;;1.64;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM395467;MM395467;C=CC12CC(O)CC1C2;MYQYNBFKMBVCTO-UHFFFAOYSA-N;124.18;1.33;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNda_SC4";;;;;;;2.2;;0.49;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM395468;MM395468;C=C(C)C=NN(C)C=NN;BECXOFQJBQXXHA-UHFFFAOYSA-N;140.19;0.38;;;;;DOPC;MDCG;27;0;"MARTINI bead: N0_P1";;;;;;;0.34;;-1.53;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM395469;MM395469;CCC=CN(OC)C(C)=O;KCVWIZLOZGDOIJ-UHFFFAOYSA-N;143.19;1.32;;;;;DOPC;MDCG;27;0;"MARTINI bead: C3_P2";;;;;;;1.46;;-0.15;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM395470;MM395470;C#CC#CC1=NNC(=O)C1;DXLCOFJPFIPPCC-UHFFFAOYSA-N;132.12;-0.5;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP1_SN0";;;;;;;0.34;;-1.53;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM395471;MM395471;CON(C=CCN)C(=N)N;UXJOWRSUHAMMNT-UHFFFAOYSA-N;144.18;-0.78;;;;;DOPC;MDCG;27;1;"MARTINI bead: P2_P1";;;;;;;-1.06;;-6.82;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM395472;MM395472;C#CC#CC1=NOC(=O)C1;RVEHKVHLJCHDFC-UHFFFAOYSA-N;133.11;-0.07;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP1_SN0";;;;;;;0.34;;-1.53;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM395473;MM395473;CON(C=CCO)C(=N)N;SVAWIOMEXHWIEF-UHFFFAOYSA-N;145.16;-0.75;;;;;DOPC;MDCG;27;1;"MARTINI bead: P3_Nda";;;;;;;-1.1;;-6.81;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM395474;MM395474;C#CC#CC1=CCC(=N)N1;OFROCHOENKIBCH-UHFFFAOYSA-N;130.15;0.48;;;;;DOPC;MDCG;27;1;"MARTINI bead: SP1_SN0";;;;;;;0.34;;-4.23;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM395475;MM395475;CCC=CN(OC)C(N)=O;MHVSDGJWOLLWJY-UHFFFAOYSA-N;144.17;0.85;;;;;DOPC;MDCG;27;0;"MARTINI bead: C3_P3";;;;;;;0.6;;-0.8;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM395476;MM395476;C#CC#CC1=CCC(=O)N1;RNAWJRVXHSCJNR-UHFFFAOYSA-N;131.13;0.03;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP2_SN0";;;;;;;0.06;;-2.21;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM395477;MM395477;CON(C=CCN)C(N)=O;IUBUWBXVRINNHA-UHFFFAOYSA-N;145.16;-0.6;;;;;DOPC;MDCG;27;1;"MARTINI bead: P2_P1";;;;;;;-1.06;;-5.63;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM395478;MM395478;C#CC#Cc1c[nH]c(=N)[nH]1;QSFXNSUNNGXYGH-UHFFFAOYSA-N;131.14;-0.19;;;;;DOPC;MDCG;27;1;"MARTINI bead: SP2_SNd";;;;;;;-0.24;;-5.64;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM395479;MM395479;CON(C=CCO)C(N)=O;AOUALQUXJWWJKH-UHFFFAOYSA-N;146.15;-0.57;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_P1";;;;;;;-1.06;;-3.82;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM395480;MM395480;C#CC#Cc1c[nH]c(=O)[nH]1;LTLLZOMEXFFSFE-UHFFFAOYSA-N;132.12;-0.31;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP3_SNd";;;;;;;-1.1;;-3.93;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM395481;MM395481;CCN=CN(CC)C(C)=N;NHXGFJHEMNWGGT-UHFFFAOYSA-N;141.22;1.35;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_Nd";;;;;;;0.87;;-4.57;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM395482;MM395482;C#CC#Cc1coc(=O)[nH]1;OVRRHBSTVDGREZ-UHFFFAOYSA-N;133.11;-0.05;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP2_SNd";;;;;;;-0.24;;-3.16;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM395483;MM395483;C=Nn1onc(N)c1=O;MYJLJAGYEYMZAH-UHFFFAOYSA-N;128.09;-1.12;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP1_SP2";;;;;;;-1.06;;-3.82;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM395484;MM395484;C#CC#CC1=NCC(=C)N1;BRVVABCXWWRDPG-UHFFFAOYSA-N;130.15;0.14;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNd_SN0";;;;;;;1.17;;-1.04;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM395485;MM395485;C=C(C)N(C=NCC)NC;NQCCETSJILGUTF-UHFFFAOYSA-N;141.22;1;;;;;DOPC;MDCG;27;1;"MARTINI bead: C5_P2";;;;;;;0.54;;-2.7;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM395486;MM395486;C=C(F)C=NN(C)C=NN;AGCPRAMDIJXDSP-UHFFFAOYSA-N;144.15;0.29;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_C5";;;;;;;0.54;;-1.09;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM395487;MM395487;CCN=CN(NC)C(C)=N;JIVQIWCMLOHGGF-UHFFFAOYSA-N;142.21;0.47;;;;;DOPC;MDCG;27;1;"MARTINI bead: C5_P4";;;;;;;-0.41;;-4.17;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM395488;MM395488;C#CC#CC1=NCC(=O)N1;QFZACLBJWDVUGY-UHFFFAOYSA-N;132.12;-0.85;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP3_SN0";;;;;;;-0.8;;-2.99;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM395489;MM395489;C=CC1C=CC(=C)C1O;LLPYHUNCGAGEHM-UHFFFAOYSA-N;122.17;1.28;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC4_SNda";;;;;;;2.2;;0.49;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM395490;MM395490;O=c1nnc(=NO)nn[nH]1;OFRSBQAIPXOVFA-UHFFFAOYSA-N;142.08;-2.76;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP4_SP4";;;;;;;-3.24;;-11.03;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM395491;MM395491;CNN=CN(NC)C(=N)N;ALJPLFDPBNEITD-UHFFFAOYSA-N;144.18;-1.52;;;;;DOPC;MDCG;27;1;"MARTINI bead: P2_P4";;;;;;;-2.29;;-8.81;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM395492;MM395492;C#CC#CC1=CCC(=C)O1;YFKWRUPKMHQFMA-UHFFFAOYSA-N;130.15;1.44;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC5_SC5";;;;;;;2.41;;0.64;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM395493;MM395493;CNN(C=NOC)C(=N)N;LERQUNIRRLSLOS-UHFFFAOYSA-N;145.17;-1.09;;;;;DOPC;MDCG;27;1;"MARTINI bead: P4_P1";;;;;;;-2.01;;-7.63;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM395494;MM395494;C#CC#CC1=CCC(=O)O1;YHJVWVNAYRESJB-UHFFFAOYSA-N;132.12;0.45;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNa_SC5";;;;;;;1.64;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM395495;MM395495;CCN=CN(OC)C(=N)N;ODQFVAAAXXPEKU-UHFFFAOYSA-N;144.18;-0.21;;;;;DOPC;MDCG;27;1;"MARTINI bead: C5_P3";;;;;;;-0.33;;-3.96;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM395496;MM395496;C#CC#Cc1c[nH]c(=O)o1;ACDPHYFWRXOCAQ-UHFFFAOYSA-N;133.11;-0.05;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP2_SN0";;;;;;;0.06;;-2.21;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM395497;MM395497;C=NOC=NNCCF;LRXFVTYLUCXJGK-UHFFFAOYSA-N;133.13;0.12;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_P1";;;;;;;0.04;;-2.54;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM395498;MM395498;C#CC#Cc1coc(=O)o1;OLXHRZKVFATXGN-UHFFFAOYSA-N;134.09;0.22;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP1_N0";;;;;;;0.34;;-1.53;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM395499;MM395499;CON=CN(OC)C(=N)N;JQFPHUMUBCPQAZ-UHFFFAOYSA-N;146.15;-0.67;;;;;DOPC;MDCG;27;1;"MARTINI bead: P2_P2";;;;;;;-1.34;;-5.35;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM395500;MM395500;C#CC#Cc1noc(=O)o1;SLBWIKGEOGRBAI-UHFFFAOYSA-N;135.08;-0.39;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP2_N0";;;;;;;0.06;;-2.21;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM395501;MM395501;C=C(C)C(C=CC=O)CF;XJHIOEVWCFTILY-UHFFFAOYSA-N;142.17;1.9;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4_Na";;;;;;;2.2;;0.34;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM395502;MM395502;CCC#CC1=CC=C(C)C1;PZSALAHFUBCKGD-UHFFFAOYSA-N;132.21;2.68;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC3_SC5";;;;;;;3.34;;0.48;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM395503;MM395503;C=C(C)C(C=CC#N)CF;LPHRVEGCSFWRDP-UHFFFAOYSA-N;139.17;2.23;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4_N0";;;;;;;2.5;;0.44;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM395504;MM395504;C=CC#CC1=CC=C(C)C1;CKFWTQOUMIFPJD-UHFFFAOYSA-N;130.19;2.45;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC5_SC4";;;;;;;2.97;;0.45;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM395505;MM395505;C=CC=CC(CC)C(=N)N;CHAYELRFKXRGMJ-UHFFFAOYSA-N;138.21;1.69;;;;;DOPC;MDCG;27;1;"MARTINI bead: C1_P3";;;;;;;0.94;;-4.04;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM395506;MM395506;CC1=CC=C(C#CC#N)C1;UDEDUDXPGPZDKL-UHFFFAOYSA-N;129.16;1.79;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC5_SN0";;;;;;;1.94;;0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM395507;MM395507;C=CC=CC(CN)C(=N)N;XTEIQRHPBDGCFS-UHFFFAOYSA-N;139.2;0.24;;;;;DOPC;MDCG;27;1;"MARTINI bead: C5_P3";;;;;;;-0.33;;-6.09;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM395508;MM395508;C=CC#CC1=CC=C(F)C1;JREWOCUKQMAMKC-UHFFFAOYSA-N;134.15;2.36;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC5_SC4";;;;;;;2.97;;0.45;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM395509;MM395509;N=C(N)C(C=CC=O)CO;SNWVDGYGOXDTHA-UHFFFAOYSA-N;142.16;-0.71;;;;;DOPC;MDCG;27;1;"MARTINI bead: P4_Na";;;;;;;-1.19;;-8.27;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM395510;MM395510;N#CC#CC1=CC=C(F)C1;WUAFISKCAXJOPY-UHFFFAOYSA-N;133.13;1.7;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC5_SN0";;;;;;;1.94;;0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM395511;MM395511;N#CC=CC(CF)C(=N)N;KDLXCBHECJSTMH-UHFFFAOYSA-N;141.15;0.59;;;;;DOPC;MDCG;27;1;"MARTINI bead: P2_N0";;;;;;;0.06;;-6.3;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM395512;MM395512;C=CC#CC1=NN=C(C)C1;ZSVVAMYNFDIDAA-UHFFFAOYSA-N;132.17;1.4;;;;;DOPC;MDCG;27;0;"MARTINI bead: SN0_SC5";;;;;;;1.94;;0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM395513;MM395513;C#CC(=C)C(=O)C1CN1;GSPZCQBHXRBWIN-UHFFFAOYSA-N;121.14;-0.28;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_SP2";;;;;;;-0.24;;-3.24;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM395514;MM395514;CC1=NN=C(C#CC#N)C1;VOXXNNPMRQYYMU-UHFFFAOYSA-N;131.14;0.73;;;;;DOPC;MDCG;27;0;"MARTINI bead: SN0_SC5";;;;;;;1.94;;0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM395515;MM395515;NC(=O)C(C=CC=O)CO;MJGDPGZDYCKQDG-UHFFFAOYSA-N;143.14;-1.16;;;;;DOPC;MDCG;27;0;"MARTINI bead: P3_Nda";;;;;;;-1.1;;-3.97;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM395516;MM395516;C=CC#Cc1ccc(C)[nH]1;IZWCWJXBFKSRBQ-UHFFFAOYSA-N;131.18;1.86;;;;;DOPC;MDCG;27;0;"MARTINI bead: SN0_SC4";;;;;;;2.5;;0.44;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM395517;MM395517;N#CC=CC(CF)C(=O)O;MTVICAGIFXLRHW-UHFFFAOYSA-N;143.12;0.74;;;;;DOPC;MDCG;27;-1;"MARTINI bead: P1_N0";;;;;;;0.34;;-6.46;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM395518;MM395518;Cc1ccc(C#CC#N)[nH]1;NQNAZITWCXSMEV-UHFFFAOYSA-N;130.15;1.2;;;;;DOPC;MDCG;27;0;"MARTINI bead: SN0_SC5";;;;;;;1.94;;0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM395519;MM395519;C=C(F)C(C=CC=O)CF;AUPVZMDEJSPVPY-UHFFFAOYSA-N;146.14;1.81;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_C5";;;;;;;1.64;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM395520;MM395520;COC(C)ON(C)C=NN;RNAFECNOLVVKAO-UHFFFAOYSA-N;147.18;-0.26;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_P2";;;;;;;-0.24;;-3.24;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM395521;MM395521;C=CC=CC(NC)C(=C)C;FFERQGPIWMJWFN-UHFFFAOYSA-N;137.23;1.89;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_C4";;;;;;;2.2;;-1.31;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM395522;MM395522;COC(C)=NN(C)C=NN;PHZYOMDLCGYVJF-UHFFFAOYSA-N;144.18;-0.2;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_P2";;;;;;;-0.24;;-3.24;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM395523;MM395523;C=C(C)C(C=CC=O)NC;GXXBRMJUWMDYMU-UHFFFAOYSA-N;139.2;0.91;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_Na";;;;;;;0.87;;-3.46;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM395524;MM395524;C=CC#Cc1ccc(O)[nH]1;HASSBDCXLPGARU-UHFFFAOYSA-N;133.15;1.26;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNda_SC4";;;;;;;2.2;;0.5;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM395525;MM395525;CNC(C=CC#N)C(=N)N;GFOJDHGUDTYRCJ-UHFFFAOYSA-N;138.17;-0.41;;;;;DOPC;MDCG;27;1;"MARTINI bead: N0_P4";;;;;;;-0.88;;-6.84;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM395526;MM395526;N#CC#Cc1ccc(O)[nH]1;URUNVABDHXTVCO-UHFFFAOYSA-N;132.12;0.6;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNda_SC5";;;;;;;1.64;;0.05;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM395527;MM395527;C=CC=CC(OC)C(=N)N;OJGJGAWXBYZRNV-UHFFFAOYSA-N;140.19;0.68;;;;;DOPC;MDCG;27;1;"MARTINI bead: C4_P3";;;;;;;0.23;;-4.45;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM395528;MM395528;C=CC#Cc1ccc(F)[nH]1;UUBIRGNWBIBOHC-UHFFFAOYSA-N;135.14;1.69;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNda_SC4";;;;;;;2.2;;0.49;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM395529;MM395529;C=CC=CC(OC)C(N)=O;CBAHKZILSJGSBE-UHFFFAOYSA-N;141.17;0.23;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4_P3";;;;;;;0.23;;-1.03;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM395530;MM395530;N#CC#Cc1ccc(F)[nH]1;OYMCGBRFEFIWJN-UHFFFAOYSA-N;134.11;1.03;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNda_SC5";;;;;;;1.64;;0.05;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM395531;MM395531;CC(C)(C)NC(=O)C(=O)O;BPCATNGVUSFCNY-UHFFFAOYSA-N;145.16;-0.01;;;;;DOPC;MDCG;27;0;"MARTINI bead: C3_P3";;;;;;;0.6;;-4.6;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM395532;MM395532;CON(C=NN)CC(C)C;WTRJZNQIZJDTOX-UHFFFAOYSA-N;145.21;0.41;;;;;DOPC;MDCG;27;0;"MARTINI bead: P3_C3";;;;;;;0.6;;-0.8;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM395533;MM395533;C=NN=CC(CC)C(=C)C;DNWVEBUTLYSUEF-UHFFFAOYSA-N;138.21;2.28;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1_N0";;;;;;;3.21;;0.46;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM395534;MM395534;CON(C=NN)CC(C)F;SOLFBTDSZJJAGC-UHFFFAOYSA-N;149.17;0.11;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_P1";;;;;;;0.04;;-2.54;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM395535;MM395535;C=NN=CC(CN)C(=C)C;OHWAQJMXLRNZES-UHFFFAOYSA-N;139.2;0.82;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_N0";;;;;;;1.17;;-3.42;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM395536;MM395536;C=CC#Cc1cnc(N)[nH]1;QWTCBIZZFLEWNO-UHFFFAOYSA-N;133.15;0.53;;;;;DOPC;MDCG;27;1;"MARTINI bead: SP1_SNd";;;;;;;0.04;;-3.79;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM395537;MM395537;C=NN=CC(CF)C(=N)N;KPDXKAJNDBDYOS-UHFFFAOYSA-N;144.15;0.19;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1_Na";;;;;;;0.04;;-6.31;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM395538;MM395538;N#CC#Cc1cnc(N)[nH]1;VYCWQXHXLHUNRU-UHFFFAOYSA-N;132.13;-0.13;;;;;DOPC;MDCG;27;1;"MARTINI bead: SP1_SNd";;;;;;;0.04;;-3.66;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM395539;MM395539;C#CC(OC)C(=O)O;SAFCDBMXBHWHBO-UHFFFAOYSA-N;114.1;-0.28;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_P1";;;;;;;0.04;;-6.64;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM395540;MM395540;C=CC#Cc1cnc(O)[nH]1;ATUPJXIQBRLMNG-UHFFFAOYSA-N;134.14;0.65;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP1_SNd";;;;;;;0.04;;-2.63;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM395541;MM395541;C=NN=CC(CN)C(=C)F;RFNKXZVUHWVPSB-UHFFFAOYSA-N;143.17;0.73;;;;;DOPC;MDCG;27;1;"MARTINI bead: N0_Nda";;;;;;;1.17;;-3.43;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM395542;MM395542;N#CC#Cc1cnc(O)[nH]1;WKHVULPAWWYQQQ-UHFFFAOYSA-N;133.11;-0.01;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP1_SNd";;;;;;;0.04;;-2.63;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM395543;MM395543;C=NN=CC(NC)C(=N)N;MCGYTIBLOUGESO-UHFFFAOYSA-N;141.18;-0.8;;;;;DOPC;MDCG;27;1;"MARTINI bead: N0_P4";;;;;;;-0.88;;-6.58;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM395544;MM395544;C=C(C)CN(C=NN)OC;VKYJMTWHJBXEPG-UHFFFAOYSA-N;143.19;0.33;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4_P3";;;;;;;0.23;;-1.03;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM395545;MM395545;CCN(C=CC#N)C(C)=O;SMOOZDOWZMUZMV-UHFFFAOYSA-N;138.17;0.89;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_N0";;;;;;;0.34;;-1.53;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM395546;MM395546;C=NN(C=NN)CC(=C)C;IOCJNMQLBVQACJ-UHFFFAOYSA-N;140.19;0.38;;;;;DOPC;MDCG;27;0;"MARTINI bead: N0_P1";;;;;;;0.34;;-1.53;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM395547;MM395547;CCN(C=CC#N)C(=N)N;DXPZOVZJTUGFCF-UHFFFAOYSA-N;138.17;0.24;;;;;DOPC;MDCG;27;1;"MARTINI bead: P2_N0";;;;;;;0.06;;-5.3;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM395548;MM395548;C#CC1=C(N)C(=CO)N=N1;UWZWLUFKBODPIJ-UHFFFAOYSA-N;135.13;0.66;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNd_SNda";;;;;;;0.87;;-6.51;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM395549;MM395549;CCN(C=CC=O)C(N)=O;MISKKQQRXORNOY-UHFFFAOYSA-N;142.16;0.1;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_Na";;;;;;;-0.24;;-3.24;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM395550;MM395550;N#CC#Cc1nc(F)c[nH]1;CEXOIKCFQQAVQB-UHFFFAOYSA-N;135.1;0.42;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNda_SNd";;;;;;;0.87;;-1.92;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM395551;MM395551;C=CC=CN(NC)C(C)=N;BKAZRIRBKJRDOD-UHFFFAOYSA-N;139.2;1.12;;;;;DOPC;MDCG;27;1;"MARTINI bead: P4_C4";;;;;;;0.15;;-5.08;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM395552;MM395552;Cc1n[nH]c(C#CC#N)n1;ISIKCKYBPDGVEF-UHFFFAOYSA-N;132.13;-0.01;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP1_SP1";;;;;;;-0.79;;-3.13;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM395553;MM395553;CNN(C=CC=O)C(C)=N;HONQGSYGRRBPMT-UHFFFAOYSA-N;141.17;0.13;;;;;DOPC;MDCG;27;1;"MARTINI bead: P2_Na";;;;;;;-0.24;;-5.83;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM395554;MM395554;N#CC#Cc1nc(N)n[nH]1;PETVDCOFBUADJD-UHFFFAOYSA-N;133.11;-0.74;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP2_SP1";;;;;;;-1.06;;-3.82;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM395555;MM395555;CNN(C=CC#N)C(C)=O;LDIHRACWYQNYRS-UHFFFAOYSA-N;139.16;0.01;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_Na";;;;;;;0.04;;-2.54;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM395556;MM395556;C=CC#Cc1ccc(C)o1;IZSPAQTVWILLEN-UHFFFAOYSA-N;132.16;2.13;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC5_SC4";;;;;;;2.97;;0.45;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM395557;MM395557;CNN(C=CC=O)C(=N)N;UOSOOAPSOBZQTE-UHFFFAOYSA-N;142.16;-0.97;;;;;DOPC;MDCG;27;1;"MARTINI bead: P4_Na";;;;;;;-1.19;;-8.11;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM395558;MM395558;Cc1ccc(C#CC#N)o1;VFYKTVANHYRPLT-UHFFFAOYSA-N;131.13;1.46;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC5_SN0";;;;;;;1.94;;0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM395559;MM395559;CNN(C=CC#N)C(=N)N;CDRJMWAZEJOWKY-UHFFFAOYSA-N;139.16;-0.65;;;;;DOPC;MDCG;27;1;"MARTINI bead: P4_N0";;;;;;;-0.88;;-6.26;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM395560;MM395560;C=CC#Cc1ccc(N)o1;NRUXPJUAFXAIEC-UHFFFAOYSA-N;133.15;1.4;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNd_SC4";;;;;;;2.2;;0.32;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM395561;MM395561;C=CC1(O)C=CC(C)(C)C1;LMZMFEHFEPYLCF-UHFFFAOYSA-N;138.21;1.89;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC3_SNda";;;;;;;2.57;;0.44;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM395562;MM395562;N#CC#Cc1ccc(N)o1;QUCCGHPUKWTGRO-UHFFFAOYSA-N;132.12;0.74;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNd_SN0";;;;;;;1.17;;-1.04;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM395563;MM395563;CON(C=CC#N)C(C)=O;HDTKAHNZBSDLCI-UHFFFAOYSA-N;140.14;0.43;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_N0";;;;;;;0.06;;-2.21;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM395564;MM395564;N#CC#Cc1ccc(F)o1;IPEDUMJCODYQOL-UHFFFAOYSA-N;135.1;1.29;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNa_SN0";;;;;;;1.17;;-1.18;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM395565;MM395565;CON(C=CC=O)C(=N)N;YEWGGUGRCFBETO-UHFFFAOYSA-N;143.15;-0.54;;;;;DOPC;MDCG;27;1;"MARTINI bead: P3_Na";;;;;;;-1.1;;-6.5;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM395566;MM395566;Cc1ncc(C#CC#N)o1;UGRAWWCYSMUMHW-UHFFFAOYSA-N;132.12;0.86;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNa_SN0";;;;;;;1.17;;-1.18;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM395567;MM395567;C=CC=CN(OC)C(N)=O;OCLUWUGAVHSHTF-UHFFFAOYSA-N;142.16;0.63;;;;;DOPC;MDCG;27;0;"MARTINI bead: P3_C4";;;;;;;0.23;;-1.03;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM395568;MM395568;C=NN(C=NN)C=C(C)C;AJGGLFPXUKYQNT-UHFFFAOYSA-N;140.19;0.73;;;;;DOPC;MDCG;27;0;"MARTINI bead: N0_P1";;;;;;;0.34;;-1.53;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM395569;MM395569;CCN(C=NC=O)C(C)=N;PJNHCMBQISXUSA-UHFFFAOYSA-N;141.17;0.49;;;;;DOPC;MDCG;27;1;"MARTINI bead: P2_Nd";;;;;;;-0.24;;-4.71;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM395570;MM395570;N#CC#Cc1cnc(F)o1;CGZSXHFZXLKIKR-UHFFFAOYSA-N;136.09;0.69;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNa_SN0";;;;;;;1.17;;-1.18;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM395571;MM395571;C=NN=CN(CC)C(C)=N;UJHIFXLBVJYWQU-UHFFFAOYSA-N;140.19;0.95;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_N0";;;;;;;1.17;;-2.05;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM395572;MM395572;Cc1cnc(C#CC#N)o1;AUVYQUUMTYXYJB-UHFFFAOYSA-N;132.12;0.86;;;;;DOPC;MDCG;27;0;"MARTINI bead: SN0_SNa";;;;;;;1.17;;-1.18;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM395573;MM395573;C=NN=CN(CC)C(=N)N;XWUYOYGXQBRMPR-UHFFFAOYSA-N;141.18;-0.15;;;;;DOPC;MDCG;27;1;"MARTINI bead: P2_N0";;;;;;;0.06;;-5.08;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM395574;MM395574;CC(F)C(=NN)NN(C)C;DCITXCSOXAOYHJ-UHFFFAOYSA-N;148.19;-0.32;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_P3";;;;;;;-0.33;;-2.01;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM395575;MM395575;CNN(C=NC=N)C(=N)N;BRERZAJAGJKNRT-UHFFFAOYSA-N;142.17;-1.05;;;;;DOPC;MDCG;27;1;"MARTINI bead: P4_P2";;;;;;;-2.29;;-8.69;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM395576;MM395576;C=CN=CNC(=O)C(=O)O;RTCREUSPTXEQOP-UHFFFAOYSA-N;142.11;-0.64;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_Nd";;;;;;;-0.24;;-7.63;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM395577;MM395577;CNN(C=NC=O)C(=N)N;HIYZTRHOIUMNSI-UHFFFAOYSA-N;143.15;-1.5;;;;;DOPC;MDCG;27;1;"MARTINI bead: P4_P1";;;;;;;-2.01;;-7.76;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM395578;MM395578;N#CC#Cc1ncc(F)o1;VBPXHAIUWNUHJP-UHFFFAOYSA-N;136.09;0.69;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNa_SNa";;;;;;;0.87;;-2.22;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM395579;MM395579;C=C(CCF)C(C)(C)CO;KCVMZONVOIAIDJ-UHFFFAOYSA-N;146.21;1.92;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda_C5";;;;;;;1.64;;0.05;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM395580;MM395580;Cc1nnc(C#CC#N)o1;WJVUWCNPVHUCDX-UHFFFAOYSA-N;133.11;0.25;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP1_SP1";;;;;;;-0.79;;-3.13;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM395581;MM395581;C=NN=CN(NC)C(=N)N;JDSABVFIOJQJDD-UHFFFAOYSA-N;142.17;-1.04;;;;;DOPC;MDCG;27;1;"MARTINI bead: P4_N0";;;;;;;-0.88;;-6.16;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM395582;MM395582;N#CC#Cc1nnc(N)o1;KAZVUCPFSVEESE-UHFFFAOYSA-N;134.1;-0.47;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP2_SP1";;;;;;;-1.06;;-3.82;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM395583;MM395583;CCC=C(C)C(C)(C)CO;YVMPMBBNRKZVPQ-UHFFFAOYSA-N;142.24;2.36;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1_Nda";;;;;;;2.91;;0.57;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM395584;MM395584;Nn1[nH]nc(F)c1=O;WWXOCBKSPSXKQN-UHFFFAOYSA-N;118.07;-1.58;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP3_SP1";;;;;;;-1.93;;-8.85;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM395585;MM395585;C=C(C)N(C=NC=O)OC;SXVSKKFIAXNOPQ-UHFFFAOYSA-N;142.16;0.57;;;;;DOPC;MDCG;27;0;"MARTINI bead: P3_C4";;;;;;;0.23;;-1.03;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM395586;MM395586;N#CC#Cc1nnc(F)o1;RTRHMNRKZSZSOF-UHFFFAOYSA-N;137.07;0.08;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP1_SP1";;;;;;;-0.79;;-3.13;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM395587;MM395587;CON(C=NC=O)C(N)=O;YPLANWHAYJUEQH-UHFFFAOYSA-N;145.12;-0.89;;;;;DOPC;MDCG;27;0;"MARTINI bead: P3_P1";;;;;;;-1.93;;-4.72;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM395588;MM395588;C#CC#CC1=CC=C(C)C1;USAOSYHSVIRGJK-UHFFFAOYSA-N;128.17;1.9;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC5_SC4";;;;;;;2.97;;0.45;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM395589;MM395589;C=NN=CN(OC)C(C)=N;FQEFBHVCOKUIRG-UHFFFAOYSA-N;142.16;0.49;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_N0";;;;;;;0.34;;-1.53;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM395590;MM395590;C#CC#CC1=CC=C(F)C1;MNYKSCBFKCRQDF-UHFFFAOYSA-N;132.14;1.81;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC5_SC4";;;;;;;2.97;;0.45;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM395591;MM395591;C=CC=NN(CC)C(C)=O;XTRRWPIIYJYMIG-UHFFFAOYSA-N;140.19;1.03;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_C4";;;;;;;1.09;;-0.38;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM395592;MM395592;C#CC#CC1=NN=C(C)C1;QGCJPAGVVCOJGE-UHFFFAOYSA-N;130.15;0.84;;;;;DOPC;MDCG;27;0;"MARTINI bead: SN0_SC5";;;;;;;1.94;;0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM395593;MM395593;C#CC=CC(CO)C(=N)N;BNVVKYFCXNZILV-UHFFFAOYSA-N;138.17;-0.28;;;;;DOPC;MDCG;27;1;"MARTINI bead: P4_N0";;;;;;;-0.88;;-7.12;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM395594;MM395594;C#CC#Cc1ccc(C)[nH]1;QIAXERBMTGXOSK-UHFFFAOYSA-N;129.16;1.31;;;;;DOPC;MDCG;27;0;"MARTINI bead: SN0_SC4";;;;;;;2.5;;0.44;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM395595;MM395595;C#CC=CC(CO)C(N)=O;UAYQHJMXVPBXTH-UHFFFAOYSA-N;139.15;-0.73;;;;;DOPC;MDCG;27;0;"MARTINI bead: P4_N0";;;;;;;-0.88;;-3.74;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM395596;MM395596;CCC1=CC(C)(O)CC1C;WVAJSOFGBXUPEK-UHFFFAOYSA-N;140.23;2.11;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC1_SNda";;;;;;;2.91;;0.57;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM395597;MM395597;NC(=O)C(O)C(O)C(=O)O;ZYPJGOCQEPYWIE-UHFFFAOYSA-N;149.1;-2.72;;;;;DOPC;MDCG;27;0;"MARTINI bead: P4_P2";;;;;;;-2.29;;-9.47;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM395598;MM395598;C#CC#Cc1ccc(O)[nH]1;FPEHNXFOKQDRMD-UHFFFAOYSA-N;131.13;0.71;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNda_SC4";;;;;;;2.2;;0.5;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM395599;MM395599;C#CC=CC(NC)C(=C)C;LHGGEWMPOMKXMI-UHFFFAOYSA-N;135.21;1.34;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_N0";;;;;;;1.17;;-2.81;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM395600;MM395600;C#CC#Cc1ccc(F)[nH]1;WNXDEOJCPVNOHP-UHFFFAOYSA-N;133.13;1.14;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNda_SC4";;;;;;;2.2;;0.49;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM395601;MM395601;C#CC=CC(OC)C(=N)N;LCBVHXVXOBKTLW-UHFFFAOYSA-N;138.17;0.13;;;;;DOPC;MDCG;27;1;"MARTINI bead: P2_N0";;;;;;;0.06;;-5.67;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM395602;MM395602;CC1CC1(C)C1CC1(C)O;SUHJDCZSPBMMSM-UHFFFAOYSA-N;140.23;1.8;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC5_SNda";;;;;;;1.64;;0.05;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM395603;MM395603;C#CC=CN(NC)C(=N)N;VUAXHYXUZZRBLE-UHFFFAOYSA-N;138.17;-0.54;;;;;DOPC;MDCG;27;1;"MARTINI bead: P4_N0";;;;;;;-0.88;;-7.04;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM395604;MM395604;C#CC#Cc1cnc(N)[nH]1;QSFXNSUNNGXYGH-UHFFFAOYSA-N;131.14;-0.02;;;;;DOPC;MDCG;27;1;"MARTINI bead: SP1_SNd";;;;;;;0.04;;-3.7;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM395605;MM395605;C#CC(C)CC(C)C(C)O;DNYGYRQDBDCYDY-UHFFFAOYSA-N;140.23;1.66;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda_C4";;;;;;;2.2;;0.49;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM395606;MM395606;C#CC#Cc1cnc(O)[nH]1;LTLLZOMEXFFSFE-UHFFFAOYSA-N;132.12;0.1;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP1_SNd";;;;;;;0.04;;-2.63;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM395607;MM395607;C=CC(C=CCN)C(=C)C;BAPFHLWPSILWKT-UHFFFAOYSA-N;137.23;1.88;;;;;DOPC;MDCG;27;1;"MARTINI bead: C1_P1";;;;;;;2.08;;-0.65;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM395608;MM395608;C=C(C)C(C=O)C=CCC;LVCWZTFZIUHLJU-UHFFFAOYSA-N;138.21;2.34;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4_C4";;;;;;;3.53;;0.53;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM395609;MM395609;C=CC12CC(=C)C(O)(C1)C2;FGYGBXJIZIBJKZ-UHFFFAOYSA-N;136.19;1.64;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNda_SC3";;;;;;;2.57;;0.44;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM395610;MM395610;C=C(C)C(C=O)C=CCO;BLLJVQMSMOLUAZ-UHFFFAOYSA-N;140.18;0.93;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_P1";;;;;;;0.81;;-0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM395611;MM395611;C=C(F)CCONC=NN;LIKITKQTKRNGBH-UHFFFAOYSA-N;147.15;0.28;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_Nda";;;;;;;0.04;;-2.73;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM395612;MM395612;C=C(C)C(C#N)C=CCO;VVTHMTANXZVMOW-UHFFFAOYSA-N;137.18;1.25;;;;;DOPC;MDCG;27;0;"MARTINI bead: N0_Nda";;;;;;;1.17;;-1.13;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM395613;MM395613;C#CC#Cc1nc(F)c[nH]1;ZKPKSGZDNNHEOD-UHFFFAOYSA-N;134.11;0.53;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNda_SNd";;;;;;;0.87;;-1.92;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM395614;MM395614;C=CC(C=CCC)C(C)=O;NWVXFVGNIZKRAS-UHFFFAOYSA-N;138.21;2.34;;;;;DOPC;MDCG;27;0;"MARTINI bead: C3_C5";;;;;;;3.34;;0.48;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM395615;MM395615;C#CC#Cc1nc(C)n[nH]1;WVJWTIBGAGQNQC-UHFFFAOYSA-N;131.14;0.1;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP1_SNda";;;;;;;0.04;;-2.73;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM395616;MM395616;C=CC(C=CCO)C(C)=O;YVEAMJIXVRPCOF-UHFFFAOYSA-N;140.18;0.93;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_P1";;;;;;;0.81;;-0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM395617;MM395617;C#CC#Cc1nc(N)n[nH]1;GKZUUONPSQEBHF-UHFFFAOYSA-N;132.13;-0.63;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP2_SNda";;;;;;;-0.24;;-3.31;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM395618;MM395618;C=CC(C=CCF)C(C)=O;VRBCXIOWTXZQOM-UHFFFAOYSA-N;142.17;1.9;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_Na";;;;;;;0.87;;-2.22;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM395619;MM395619;C#CC#Cc1ccc(C)o1;IQPJYRVMBCGNMH-UHFFFAOYSA-N;130.15;1.57;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC5_SC5";;;;;;;2.41;;0.64;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM395620;MM395620;C=CC(C=CCC)C(=N)N;PDHGUGATROYNLV-UHFFFAOYSA-N;138.21;1.69;;;;;DOPC;MDCG;27;1;"MARTINI bead: C3_P1";;;;;;;1.74;;-3.76;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM395621;MM395621;C#CC#Cc1ccc(N)o1;QTDPWNJPTXLANT-UHFFFAOYSA-N;131.13;0.85;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNd_SC5";;;;;;;1.64;;0.02;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM395622;MM395622;C=CC(C=CCN)C(=N)N;VEWLHVMBTSMLMW-UHFFFAOYSA-N;139.2;0.24;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1_P1";;;;;;;-0.79;;-7.6;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM395623;MM395623;C#CC#Cc1ccc(F)o1;LTJPHHDUDBYCLG-UHFFFAOYSA-N;134.11;1.4;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNa_SC5";;;;;;;1.64;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM395624;MM395624;C=CC(C=CCN)C(N)=O;GGZXWOJUYOSYAX-UHFFFAOYSA-N;140.19;-0.21;;;;;DOPC;MDCG;27;1;"MARTINI bead: C5_P3";;;;;;;-0.33;;-3.93;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM395625;MM395625;C#CC#Cc1cnc(C)o1;MRPADCIPLLROBP-UHFFFAOYSA-N;131.13;0.97;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNa_SN0";;;;;;;1.17;;-1.18;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM395626;MM395626;C=CC(C=CCO)C(N)=O;ILPNSIOFXBCUCU-UHFFFAOYSA-N;141.17;-0.18;;;;;DOPC;MDCG;27;0;"MARTINI bead: P3_C5";;;;;;;-0.33;;-2.01;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM395627;MM395627;CNN=CCOCC(C)=O;DYWQLUXQALTBKW-UHFFFAOYSA-N;144.17;-0.2;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_Na";;;;;;;0.04;;-2.54;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM395628;MM395628;C=CC(C=CCC)C(=O)O;KXGODFMGGDGNKD-UHFFFAOYSA-N;140.18;1.84;;;;;DOPC;MDCG;27;-1;"MARTINI bead: C3_Nda";;;;;;;2.57;;-1.44;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM395629;MM395629;C#CC#Cc1cnc(F)o1;GEKDCDPJKFWNDV-UHFFFAOYSA-N;135.1;0.8;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNa_SN0";;;;;;;1.17;;-1.18;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM395630;MM395630;C=C(F)C(C=O)C=CCF;UVSJMXJPZSXCKG-UHFFFAOYSA-N;146.14;1.81;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_Na";;;;;;;0.87;;-2.22;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM395631;MM395631;C#CC#Cc1ncc(C)o1;BJUIXDQLFUSRQL-UHFFFAOYSA-N;131.13;0.97;;;;;DOPC;MDCG;27;0;"MARTINI bead: SN0_SNa";;;;;;;1.17;;-1.18;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM395632;MM395632;COC=CC(C#N)C(=N)N;QWPVZZTYIULXQI-UHFFFAOYSA-N;139.16;0.22;;;;;DOPC;MDCG;27;1;"MARTINI bead: Na_P2";;;;;;;-0.24;;-5.38;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM395633;MM395633;NN=CNOCC=C(F)F;ZKBSUYGVUZYCHK-UHFFFAOYSA-N;151.12;0.19;;;;;DOPC;MDCG;27;0;"MARTINI bead: P3_C4";;;;;;;0.23;;-1.03;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM395634;MM395634;CC=CC1=CC(C)(O)CC1;ILHORVAEVBUZDN-UHFFFAOYSA-N;138.21;2.03;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC2_SNda";;;;;;;2.83;;0.57;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM395635;MM395635;NNC(=O)NCC(=O)O;UCYRZTINKXSNJL-UHFFFAOYSA-N;133.11;-1.76;;;;;DOPC;MDCG;27;0;"MARTINI bead: P4_P1";;;;;;;-2.01;;-8.97;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM395636;MM395636;CNN=CC(C=O)C(=N)N;IBGKZPUJJRXTAQ-UHFFFAOYSA-N;142.16;-1.06;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nda_P3";;;;;;;-1.1;;-7.07;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM395637;MM395637;C#CC#Cc1ncc(F)o1;SJGWADWGBHOHMG-UHFFFAOYSA-N;135.1;0.8;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNa_SNa";;;;;;;0.87;;-2.22;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM395638;MM395638;CNN=CC(C#N)C(=N)N;CWHOVYHDVXDNQM-UHFFFAOYSA-N;139.16;-0.73;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_P3";;;;;;;-1.1;;-5.68;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM395639;MM395639;C#CC#Cc1nnc(C)o1;OFAMDEQVLJFDNO-UHFFFAOYSA-N;132.12;0.36;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP1_SNa";;;;;;;0.04;;-2.54;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM395640;MM395640;CC(=O)CN=CN(C)C=O;PWFRNYKARFRUAJ-UHFFFAOYSA-N;142.16;-0.31;;;;;DOPC;MDCG;27;0;"MARTINI bead: P3_Na";;;;;;;-1.1;;-4.2;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM395641;MM395641;C#CC#Cc1nnc(N)o1;LGIGDSOFTGUPSV-UHFFFAOYSA-N;133.11;-0.36;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP2_SNa";;;;;;;-0.24;;-3.24;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM395642;MM395642;CC(=NN)ON(C)C=NN;VCIJAPTYAROQIZ-UHFFFAOYSA-N;145.17;-0.96;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_Nd";;;;;;;-0.24;;-3.16;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM395643;MM395643;CC1=C(O)C=NC1=CO;DGKYXTKDYRPQNM-UHFFFAOYSA-N;125.13;1.3;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNda_SNda";;;;;;;0.87;;-6.66;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM395644;MM395644;C=C(C)C(C)C1CC1(C)O;HXBSPYTVMUAXDG-UHFFFAOYSA-N;140.23;1.97;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1_SNda";;;;;;;2.91;;0.57;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM395645;MM395645;C#CC#Cc1nnc(F)o1;VNCZLXQDEUWSHR-UHFFFAOYSA-N;136.09;0.19;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP1_SNa";;;;;;;0.04;;-2.54;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM395646;MM395646;C=CC1(O)C=C(C)C(C)C1;LRYFIHFMGVJJDQ-UHFFFAOYSA-N;138.21;1.89;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNda_SC2";;;;;;;2.83;;0.57;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM395647;MM395647;CC1=CC(C#CC#N)CC1;CAAPZWFMNQDZKS-UHFFFAOYSA-N;131.18;1.87;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC4_SC5";;;;;;;2.97;;0.45;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM395648;MM395648;CCC12C=C(C)C(O)(C1)C2;RHRNZXMOJLKOQV-UHFFFAOYSA-N;138.21;1.87;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC1_SNda";;;;;;;2.91;;0.57;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM395649;MM395649;C#CC#CC1C=C(C)CC1;FAGIEZJYHYOPKO-UHFFFAOYSA-N;130.19;1.98;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC4_SC4";;;;;;;3.53;;0.53;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM395650;MM395650;CON=CC(C=O)C(=N)N;OCJXIQFULMBHKH-UHFFFAOYSA-N;143.15;-0.63;;;;;DOPC;MDCG;27;1;"MARTINI bead: Na_P3";;;;;;;-1.1;;-7.27;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM395651;MM395651;C#CC#CC1C=C(F)CC1;JPSRXFQLTSJHRL-UHFFFAOYSA-N;134.15;1.89;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC5_SC4";;;;;;;2.97;;0.45;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM395652;MM395652;CON=CC(C#N)C(N)=O;AMYWBHJITHPANL-UHFFFAOYSA-N;141.13;-0.76;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_P3";;;;;;;-1.1;;-4.2;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM395653;MM395653;C#CC#CC1C=C(C)OC1;OLBXOTHLHNAJSP-UHFFFAOYSA-N;132.16;1.17;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNa_SN0";;;;;;;1.17;;-1.18;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM395654;MM395654;CCCCC1C(O)C1(C)C;PZHAPNPVQOWVJP-UHFFFAOYSA-N;142.24;2.19;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1_SNda";;;;;;;2.91;;0.57;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM395655;MM395655;C#CC#CC1C=C(C)CN1;QCFKFONSZBLJRE-UHFFFAOYSA-N;131.18;0.54;;;;;DOPC;MDCG;27;1;"MARTINI bead: SP1_SNd";;;;;;;0.04;;-4.44;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM395656;MM395656;C=CN(C=CCN)C(C)=O;SQJJMWCXXIBNRU-UHFFFAOYSA-N;140.19;0.45;;;;;DOPC;MDCG;27;1;"MARTINI bead: Na_P2";;;;;;;-0.24;;-5.04;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM395657;MM395657;CC1=CC(C#CC#N)C=C1;REDANDJYXHDCRB-UHFFFAOYSA-N;129.16;1.65;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC5_SN0";;;;;;;1.94;;0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM395658;MM395658;C=CN(C=CCN)C(=N)N;QSJXYKFJENXAKA-UHFFFAOYSA-N;140.19;-0.2;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1_P2";;;;;;;-1.06;;-8.36;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM395659;MM395659;N#CC#CC1C=CC(F)=C1;KMBKDQUZJYIJJJ-UHFFFAOYSA-N;133.13;1.55;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC5_SN0";;;;;;;1.94;;0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM395660;MM395660;C=CN(C=CCO)C(=N)N;MIZTXOBJRVQDFD-UHFFFAOYSA-N;141.17;-0.17;;;;;DOPC;MDCG;27;1;"MARTINI bead: P2_P1";;;;;;;-1.06;;-8.29;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM395661;MM395661;C#CC#CC1C=CC(C)=C1;FQCSSASAZMNLSZ-UHFFFAOYSA-N;128.17;1.76;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC5_SC4";;;;;;;2.97;;0.45;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM395662;MM395662;N=CN(C=CCN)C(=N)N;QSHMXWWWJUUUQI-UHFFFAOYSA-N;141.18;-0.74;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1_P3";;;;;;;-1.93;;-8.17;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM395663;MM395663;C#CC#CC1C=CC(F)=C1;SXRZDRLULUCKFR-UHFFFAOYSA-N;132.14;1.66;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC5_SC4";;;;;;;2.97;;0.45;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM395664;MM395664;N=CN(C=CCO)C(=N)N;YGROJJQCBLBUAZ-UHFFFAOYSA-N;142.16;-0.71;;;;;DOPC;MDCG;27;1;"MARTINI bead: P3_P1";;;;;;;-1.93;;-8.1;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM395665;MM395665;CCC#CC1=CCC(C)=C1;SJTXDRDPGDNFPZ-UHFFFAOYSA-N;132.21;2.68;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC3_SC5";;;;;;;3.34;;0.48;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM395666;MM395666;N=C(N)N(C=O)C=CCN;KLOWCTCXYBGQOA-UHFFFAOYSA-N;142.16;-1.19;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1_P4";;;;;;;-2.01;;-6.98;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM395667;MM395667;CCC#Cc1c[nH]c(C)c1;AEHHKEIUKQDODH-UHFFFAOYSA-N;133.19;2.08;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC4_SNd";;;;;;;2.2;;0.32;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM395668;MM395668;N=C(N)N(C=O)C=CCO;JNQSJBRNSUNVMJ-UHFFFAOYSA-N;143.15;-1.16;;;;;DOPC;MDCG;27;1;"MARTINI bead: P3_P1";;;;;;;-1.93;;-6.27;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM395669;MM395669;C=CC#CC1=CCC(C)=C1;PCDKCJHUNQTOAV-UHFFFAOYSA-N;130.19;2.45;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC5_SC4";;;;;;;2.97;;0.45;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM395670;MM395670;C=CN(C=CCC)C(N)=O;ZPWKYVQPOMAJKM-UHFFFAOYSA-N;140.19;1.43;;;;;DOPC;MDCG;27;0;"MARTINI bead: C3_P3";;;;;;;0.6;;-0.8;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM395671;MM395671;CC1=CC(C#CC#N)=CC1;WPPYVKHFGHIHOP-UHFFFAOYSA-N;129.16;1.79;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC5_SN0";;;;;;;1.94;;0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM395672;MM395672;C=CN(C=CCN)C(N)=O;JTXNNHQHUFVULF-UHFFFAOYSA-N;141.17;-0.02;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1_P2";;;;;;;-1.06;;-5.63;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM395673;MM395673;C=CC#CC1=CCC(F)=C1;ZWCZYVYHJSSPAU-UHFFFAOYSA-N;134.15;2.36;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC5_SC4";;;;;;;2.97;;0.45;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM395674;MM395674;N=CN(C=CCN)C(N)=O;XZJFPIORUKONTO-UHFFFAOYSA-N;142.16;-0.55;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1_P3";;;;;;;-1.93;;-6.51;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM395675;MM395675;N#CC#CC1=CCC(F)=C1;IJWGZVMMKTYXLU-UHFFFAOYSA-N;133.13;1.7;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC5_SN0";;;;;;;1.94;;0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM395676;MM395676;C=NOC(C)C(=O)C(C)C;VVVQMDNNBXYVOX-UHFFFAOYSA-N;143.19;1.23;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_Na";;;;;;;0.87;;-2.22;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM395677;MM395677;C=CC#Cc1c[nH]c(C)c1;GXTDFYJSIYDOID-UHFFFAOYSA-N;131.18;1.86;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNd_SC4";;;;;;;2.2;;0.32;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM395678;MM395678;NC(=O)N(C=O)C=CCO;QVLXJOMMFARTMX-UHFFFAOYSA-N;144.13;-0.97;;;;;DOPC;MDCG;27;0;"MARTINI bead: P4_P1";;;;;;;-2.01;;-5.13;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM395679;MM395679;Cc1cc(C#CC#N)c[nH]1;QVJFYBUHJGQNJH-UHFFFAOYSA-N;130.15;1.2;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNd_SC5";;;;;;;1.64;;0.02;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM395680;MM395680;COC=CN(C=N)C(C)=O;FPVOKDRUVSLSTB-UHFFFAOYSA-N;142.16;0.56;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_Na";;;;;;;-0.24;;-3.24;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM395681;MM395681;COC=CN(C=N)C(=N)N;QDOXOYGWETYOPL-UHFFFAOYSA-N;142.16;-0.09;;;;;DOPC;MDCG;27;1;"MARTINI bead: Na_P4";;;;;;;-1.19;;-7.48;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM395682;MM395682;C=NOC(=N)NNC=NN;KTFOJFYWXAHOGR-UHFFFAOYSA-N;144.14;-1.45;;;;;DOPC;MDCG;27;0;"MARTINI bead: P4_P1";;;;;;;-2.01;;-5.13;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM395683;MM395683;CNN=C(C=CN)NOC;OYITVKCIXUTWLA-UHFFFAOYSA-N;144.18;-0.86;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_P1";;;;;;;-1.06;;-3.82;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM395684;MM395684;CN(C=NN)OCCCF;FLRNQQDGPLQARI-UHFFFAOYSA-N;149.17;0.11;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_P1";;;;;;;0.04;;-2.54;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM395685;MM395685;COC=CN(C=O)C(N)=O;AIBQARPCHOWJHG-UHFFFAOYSA-N;144.13;-0.36;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_P4";;;;;;;-1.19;;-4.76;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM395686;MM395686;C=CC#Cc1c[nH]c(O)c1;KLQHDTRERPWDTL-UHFFFAOYSA-N;133.15;1.26;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNda_SC4";;;;;;;2.2;;0.5;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM395687;MM395687;C=NN(C=CCC)C(C)=O;COQZGIRYPABPKW-UHFFFAOYSA-N;140.19;1.37;;;;;DOPC;MDCG;27;0;"MARTINI bead: C3_P1";;;;;;;1.74;;0.29;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM395688;MM395688;C=CC#Cc1c[nH]c(F)c1;LEBVKDHANQVDAS-UHFFFAOYSA-N;135.14;1.69;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNda_SC4";;;;;;;2.2;;0.49;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM395689;MM395689;C=NN(C=CCN)C(=N)N;RUHYLZBBDXQYOA-UHFFFAOYSA-N;141.18;-0.73;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1_P2";;;;;;;-1.06;;-6.31;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM395690;MM395690;N#CC#Cc1c[nH]c(F)c1;YTBIJXRCGJSCJI-UHFFFAOYSA-N;134.11;1.03;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNda_SC5";;;;;;;1.64;;0.05;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM395691;MM395691;C=NN(C=CCF)C(=N)N;PDJBMXBOWIRMOI-UHFFFAOYSA-N;144.15;0.28;;;;;DOPC;MDCG;27;1;"MARTINI bead: P3_C5";;;;;;;-0.33;;-4.25;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM395692;MM395692;C=CC#Cc1coc(C)c1;WGEMCAYFSMTPSH-UHFFFAOYSA-N;132.16;2.13;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC5_SC4";;;;;;;2.97;;0.45;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM395693;MM395693;C=COC(ON=C)C(F)F;ZYYQWWUREYMFFY-UHFFFAOYSA-N;151.11;1.37;;;;;DOPC;MDCG;27;0;"MARTINI bead: N0_Na";;;;;;;1.17;;-1.18;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM395694;MM395694;Cc1cc(C#CC#N)co1;DVUXXZNKEZWRGT-UHFFFAOYSA-N;131.13;1.46;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC5_SN0";;;;;;;1.94;;0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM395695;MM395695;C=NN(C=CCN)C(N)=O;NBROLQIOOCGDKB-UHFFFAOYSA-N;142.16;-0.54;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1_P1";;;;;;;-0.79;;-4.94;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM395696;MM395696;C=CC#Cc1coc(N)c1;NNAOXRFEZOTYTA-UHFFFAOYSA-N;133.15;1.4;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNd_SC4";;;;;;;2.2;;0.32;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM395697;MM395697;C=NN(C=COC)C(C)=N;AUDZQRLWZRUSRT-UHFFFAOYSA-N;141.17;1.02;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda_P2";;;;;;;-0.24;;-3.31;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM395698;MM395698;N#CC#Cc1coc(N)c1;SBJWDOWVBDMVCP-UHFFFAOYSA-N;132.12;0.74;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNd_SN0";;;;;;;1.17;;-1.04;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM395699;MM395699;C=NN(C=COC)C(=N)N;NPBRGUDWRLRSGQ-UHFFFAOYSA-N;142.16;-0.08;;;;;DOPC;MDCG;27;1;"MARTINI bead: Na_P3";;;;;;;-1.1;;-5.94;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM395700;MM395700;CCN1CC1C(=O)O;ZZUJDTVAJUUTCZ-UHFFFAOYSA-N;115.13;-0.22;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNd_P1";;;;;;;0.04;;-7.18;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM395701;MM395701;CCN=CN(C=N)C(C)=O;JGRRWCGMLWWLDY-UHFFFAOYSA-N;141.17;0.49;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_Na";;;;;;;0.04;;-2.54;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM395702;MM395702;CCC1(CO)NC1C(=O)O;QBZNAVDLGSXPQY-UHFFFAOYSA-N;145.16;-0.82;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP1_P1";;;;;;;-0.79;;-7.7;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM395703;MM395703;CCN=CN(C=O)C(C)=O;QDSWEXDTKDQSNY-UHFFFAOYSA-N;142.16;0.04;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_Na";;;;;;;-0.24;;-3.24;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM395704;MM395704;C=CC#Cc1coc(F)c1;QXSLLQVLAKYUSP-UHFFFAOYSA-N;136.13;1.96;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNa_SC4";;;;;;;2.2;;0.34;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM395705;MM395705;CCN=CN(C=N)C(=N)N;BDTYURSOKIJWKM-UHFFFAOYSA-N;141.18;-0.16;;;;;DOPC;MDCG;27;1;"MARTINI bead: C5_P4";;;;;;;-0.41;;-5.2;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM395706;MM395706;N#CC#Cc1coc(F)c1;VDQIUMNFIOHCEZ-UHFFFAOYSA-N;135.1;1.29;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNa_SN0";;;;;;;1.17;;-1.18;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM395707;MM395707;C=C(C)C(O)CC1CC1C;PSJLUSTXEYCQPW-UHFFFAOYSA-N;140.23;1.97;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC5_Nda";;;;;;;1.64;;0.05;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM395708;MM395708;COCCON(C)C=NN;LWBXQWMTOYECNB-UHFFFAOYSA-N;147.18;-0.6;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_P2";;;;;;;-0.24;;-3.24;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM395709;MM395709;C=CC(C)(CO)CCCC;KEOOBVHFELBRTA-UHFFFAOYSA-N;142.24;2.36;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1_Nda";;;;;;;2.91;;0.57;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM395710;MM395710;CCOCON(C)C=NN;OJFUXPZLYVLCLE-UHFFFAOYSA-N;147.18;-0.25;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_P2";;;;;;;-0.24;;-3.24;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM395711;MM395711;C=C(C)N(C=O)C=NOC;KXLVBOGZNVWDLW-UHFFFAOYSA-N;142.16;0.57;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_Nda";;;;;;;0.04;;-2.73;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM395712;MM395712;C=COCON(C)C=NN;DBQIJSXRJGAUFX-UHFFFAOYSA-N;145.16;-0.13;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_Na";;;;;;;-0.24;;-3.24;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM395713;MM395713;CON=CN(C=O)C(C)=N;BADCJEQIJCLFQX-UHFFFAOYSA-N;143.15;0.03;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_P2";;;;;;;-1.34;;-4.31;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM395714;MM395714;C=NOCON(C)C=NN;DCIXVOAZVNTUOQ-UHFFFAOYSA-N;146.15;-0.66;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_P1";;;;;;;-1.06;;-3.82;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM395715;MM395715;CON=CN(C=O)C(C)=O;YLOYWAHWDDDILI-UHFFFAOYSA-N;144.13;-0.42;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_P2";;;;;;;-1.06;;-3.82;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM395716;MM395716;O=C(O)C(O)C(=O)NO;OUUIXDZXVMJXEZ-UHFFFAOYSA-N;135.08;-2.06;;;;;DOPC;MDCG;27;0;"MARTINI bead: P4_P2";;;;;;;-2.29;;-9.58;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM395717;MM395717;C=CN(C=NOC)C(=N)N;YANGDEVKZNWSIA-UHFFFAOYSA-N;142.16;-0.08;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1_P2";;;;;;;-1.06;;-6.57;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM395718;MM395718;NC(=O)C(=NO)C(=O)O;DUJYRMDLIKCWFR-UHFFFAOYSA-N;132.08;-1.61;;;;;DOPC;MDCG;27;0;"MARTINI bead: P3_P1";;;;;;;-1.93;;-8.85;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM395719;MM395719;C=NN(C=NCC)C(=N)N;DSDXUZLREMSUQO-UHFFFAOYSA-N;141.18;-0.15;;;;;DOPC;MDCG;27;1;"MARTINI bead: C5_P3";;;;;;;-0.33;;-3.45;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM395720;MM395720;C=CC#Cc1cc(F)n[nH]1;WRYZEONIBIPMOQ-UHFFFAOYSA-N;136.13;1.09;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNda_SNd";;;;;;;0.87;;-1.92;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM395721;MM395721;C=NN(C=NNC)C(=N)N;MCYGFBSGLRSLTP-UHFFFAOYSA-N;142.17;-1.04;;;;;DOPC;MDCG;27;1;"MARTINI bead: P2_P2";;;;;;;-1.34;;-5.36;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM395722;MM395722;N#CC#Cc1cc(F)n[nH]1;IRZDZUZUYWRTSW-UHFFFAOYSA-N;135.1;0.42;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNda_SNd";;;;;;;0.87;;-1.92;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM395723;MM395723;C=CC(C)(CO)CCCF;BJABIAQOUNXKSI-UHFFFAOYSA-N;146.21;1.92;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda_C4";;;;;;;2.2;;0.49;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM395724;MM395724;C=CC#Cc1cc(C)on1;SNTDWKSVIWCZHO-UHFFFAOYSA-N;133.15;1.52;;;;;DOPC;MDCG;27;0;"MARTINI bead: SN0_SC5";;;;;;;1.94;;0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM395725;MM395725;CCC=CC(C)(CC)CO;WAJQMALRGDIYQH-UHFFFAOYSA-N;142.24;2.36;;;;;DOPC;MDCG;27;0;"MARTINI bead: C3_C5";;;;;;;3.34;;0.48;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM395726;MM395726;Cc1cc(C#CC#N)no1;UAIWCCOEHAUJTG-UHFFFAOYSA-N;132.12;0.86;;;;;DOPC;MDCG;27;0;"MARTINI bead: SN0_SNa";;;;;;;1.17;;-1.18;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM395727;MM395727;CCC=NN(C=O)C(C)=O;AFLLCALHFFKCTQ-UHFFFAOYSA-N;142.16;0.39;;;;;DOPC;MDCG;27;0;"MARTINI bead: N0_P2";;;;;;;0.06;;-2.21;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM395728;MM395728;N=c1nc(O)n(O)c(=O)[nH]1;PYZXJADVWMXKIF-UHFFFAOYSA-N;144.09;-2.01;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP3_SP4";;;;;;;-3.15;;-10.25;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM395729;MM395729;C=CN(N=CCC)C(=N)N;OVSCTPGNXIQPDS-UHFFFAOYSA-N;140.19;0.72;;;;;DOPC;MDCG;27;1;"MARTINI bead: N0_P2";;;;;;;0.06;;-4.81;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM395730;MM395730;C#CC(O)C(=NO)C(=O)O;MPPHMSAQBQYINQ-UHFFFAOYSA-N;143.1;-1.1;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_P1";;;;;;;-1.06;;-8.3;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM395731;MM395731;C=CN(N=CCN)C(=N)N;AGJHJFOTPHPRRI-UHFFFAOYSA-N;141.18;-0.73;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1_P2";;;;;;;-1.06;;-6.4;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM395732;MM395732;C=CC#Cc1cc(F)on1;SIXNUAXLPSMABC-UHFFFAOYSA-N;137.11;1.35;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNa_SC5";;;;;;;1.64;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM395733;MM395733;N=CN(N=CCN)C(=N)N;UJGOARHLRSJFKR-UHFFFAOYSA-N;142.17;-1.27;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1_P4";;;;;;;-2.01;;-6.6;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM395734;MM395734;N#CC#Cc1cc(F)on1;SAWRFQHSIFXTSD-UHFFFAOYSA-N;136.09;0.69;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNa_SNa";;;;;;;0.87;;-2.22;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM395735;MM395735;N=CN(N=CCO)C(=N)N;PJHWUSZSZDBVLI-UHFFFAOYSA-N;143.15;-1.23;;;;;DOPC;MDCG;27;1;"MARTINI bead: P4_P1";;;;;;;-2.01;;-6.53;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM395736;MM395736;C=CC#Cc1c[nH]c(O)n1;ATUPJXIQBRLMNG-UHFFFAOYSA-N;134.14;0.65;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP1_SNda";;;;;;;0.04;;-2.73;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM395737;MM395737;N=CN(N=CCF)C(=N)N;MZBNHAYVBMZBNO-UHFFFAOYSA-N;145.14;-0.26;;;;;DOPC;MDCG;27;1;"MARTINI bead: P4_C5";;;;;;;-0.41;;-4.1;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM395738;MM395738;N#CC#Cc1c[nH]c(O)n1;WKHVULPAWWYQQQ-UHFFFAOYSA-N;133.11;-0.01;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP1_SNda";;;;;;;0.04;;-2.73;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM395739;MM395739;C=CN(N=CCF)C(N)=O;JVBHVCUYYZAWCD-UHFFFAOYSA-N;145.14;0.47;;;;;DOPC;MDCG;27;0;"MARTINI bead: P3_C5";;;;;;;-0.33;;-2.01;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM395740;MM395740;N=CN(N=CCN)C(N)=O;ZSDOKRUTLYYBTB-UHFFFAOYSA-N;143.15;-1.08;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1_P4";;;;;;;-2.01;;-6.16;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM395741;MM395741;C=CC#Cc1coc(C)n1;MTVZLYIRBODXFP-UHFFFAOYSA-N;133.15;1.52;;;;;DOPC;MDCG;27;0;"MARTINI bead: SN0_SNa";;;;;;;1.17;;-1.18;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM395742;MM395742;CCC(C)(C=CCF)CO;RXSKTQPBVRWHGD-UHFFFAOYSA-N;146.21;1.92;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_Na";;;;;;;1.64;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM395743;MM395743;Cc1nc(C#CC#N)co1;ZSZVGXFHIBSXIN-UHFFFAOYSA-N;132.12;0.86;;;;;DOPC;MDCG;27;0;"MARTINI bead: SN0_SNa";;;;;;;1.17;;-1.18;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM395744;MM395744;C=CC(CC)C1CC1(C)O;HRJCXNACWMONLM-UHFFFAOYSA-N;140.23;1.97;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1_SNda";;;;;;;2.91;;0.57;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM395745;MM395745;C=CC#Cc1coc(N)n1;IZJIMJBNURRWMJ-UHFFFAOYSA-N;134.14;0.79;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP1_SNa";;;;;;;0.04;;-2.54;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM395746;MM395746;NCC=NN(C=O)C(N)=O;RMDAJKUCRZXJQV-UHFFFAOYSA-N;144.13;-1.53;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1_P4";;;;;;;-2.01;;-6.16;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM395747;MM395747;N#CC#Cc1coc(N)n1;XGCLCVVYFRWZOH-UHFFFAOYSA-N;133.11;0.13;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP1_SNa";;;;;;;0.04;;-2.54;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM395748;MM395748;NC(=O)N(C=O)N=CCO;IIOHLAUAASAMDQ-UHFFFAOYSA-N;145.12;-1.5;;;;;DOPC;MDCG;27;0;"MARTINI bead: P4_P1";;;;;;;-2.01;;-5.13;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM395749;MM395749;C=CC#Cc1coc(F)n1;YIIIATZXJZWLQA-UHFFFAOYSA-N;137.11;1.35;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNa_SNa";;;;;;;0.87;;-2.22;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM395750;MM395750;COC=NN(C=O)C(N)=O;KYFHUSORMKABMK-UHFFFAOYSA-N;145.12;-0.89;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_P2";;;;;;;-1.06;;-3.82;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM395751;MM395751;N#CC#Cc1coc(F)n1;WGKRJOZIWNMFTI-UHFFFAOYSA-N;136.09;0.69;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNa_SNa";;;;;;;0.87;;-2.22;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM395752;MM395752;C=C(C)C(C=O)C=CC#N;GNWSKQKWGFCMTN-UHFFFAOYSA-N;135.17;1.46;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_P1";;;;;;;0.81;;-0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM395753;MM395753;N#CC#Cc1n[nH]c(N)n1;PETVDCOFBUADJD-UHFFFAOYSA-N;133.11;-0.74;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP2_SP1";;;;;;;-1.06;;-3.82;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM395754;MM395754;C=CC=CC(C=C)C(C)=O;HPEUHHBAXAEUAY-UHFFFAOYSA-N;136.19;2.12;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_C4";;;;;;;2.2;;0.34;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM395755;MM395755;N#CC(=NO)C(O)C=CF;LCYNMPGVDPBTCR-UHFFFAOYSA-N;144.11;0.18;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_Nda";;;;;;;-0.24;;-7.78;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM395756;MM395756;C=CC(C=CC=O)C(C)=O;BGVGGMIRXIGQBT-UHFFFAOYSA-N;138.17;1.13;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_Na";;;;;;;0.87;;-2.22;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM395757;MM395757;Cc1nc(C#CC#N)no1;AJXZVODDZNIKDE-UHFFFAOYSA-N;133.11;0.25;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNa_SNa";;;;;;;0.87;;-2.22;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM395758;MM395758;C=CC(C=CC#N)C(C)=O;VUCVILTZGGJGPX-UHFFFAOYSA-N;135.17;1.46;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_N0";;;;;;;1.17;;-1.18;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM395759;MM395759;N#CC#Cc1noc(N)n1;NIEDOZHJPKWXKZ-UHFFFAOYSA-N;134.1;-0.47;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP1_SNa";;;;;;;0.04;;-2.54;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM395760;MM395760;C=CC=CC(C=C)C(N)=O;PFUVMTIEHZTKQD-UHFFFAOYSA-N;137.18;1.02;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_C4";;;;;;;1.37;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM395761;MM395761;C#Cc1noc(F)c1O;INDKJKWQBNBJBP-UHFFFAOYSA-N;127.07;0.5;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNda_SNa";;;;;;;0.87;;-6.6;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM395762;MM395762;C=CC=CC(C#N)C(N)=O;DSQHYDFAXLUPBN-UHFFFAOYSA-N;136.15;0.35;;;;;DOPC;MDCG;27;0;"MARTINI bead: P3_C4";;;;;;;0.23;;-1.03;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM395763;MM395763;N#CC#Cc1noc(F)n1;VPURDEYIAUECKS-UHFFFAOYSA-N;137.07;0.08;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNa_SNa";;;;;;;0.87;;-2.22;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM395764;MM395764;N#CC(C=CC=O)C(N)=O;MRDSVFMAGPNSKW-UHFFFAOYSA-N;138.13;-0.63;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_Na";;;;;;;-0.24;;-3.24;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM395765;MM395765;C#CC#CC1=CCC(C)=C1;MEFRMEPKNXPBJP-UHFFFAOYSA-N;128.17;1.9;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC5_SC4";;;;;;;2.97;;0.45;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM395766;MM395766;Cn1c(O)ncc(F)c1=O;BGXNFCXYRIAWDO-UHFFFAOYSA-N;144.11;-0.38;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNda_SP2";;;;;;;-0.24;;-7.37;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM395767;MM395767;C#CC#CC1=CCC(F)=C1;SUWSZAYAIUYVAH-UHFFFAOYSA-N;132.14;1.81;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC5_SC4";;;;;;;2.97;;0.45;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM395768;MM395768;CC(=N)N(C=N)C=CC=O;ZFPWHCYRKZVISE-UHFFFAOYSA-N;139.16;0.61;;;;;DOPC;MDCG;27;1;"MARTINI bead: P2_Na";;;;;;;-0.24;;-4.62;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM395769;MM395769;C#CC#Cc1c[nH]c(C)c1;YEYDKAIEXMGYAN-UHFFFAOYSA-N;129.16;1.31;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNd_SC4";;;;;;;2.2;;0.32;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM395770;MM395770;CC(=N)N(C=O)C=CC=O;KFSJPBLTXVSGPC-UHFFFAOYSA-N;140.14;0.15;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_Na";;;;;;;-0.24;;-3.24;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM395771;MM395771;C=NOC(=N)NC=CC=O;YPHFRBZIHJFMTM-UHFFFAOYSA-N;141.13;-0.14;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_Na";;;;;;;-0.24;;-3.24;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM395772;MM395772;C=CN(C=CC#N)C(C)=O;PCHHBMKSOQBNFE-UHFFFAOYSA-N;136.15;1.02;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_N0";;;;;;;0.34;;-1.53;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM395773;MM395773;C#CC#Cc1c[nH]c(O)c1;YWQFQRYLDBKUDN-UHFFFAOYSA-N;131.13;0.71;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNda_SC4";;;;;;;2.2;;0.5;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM395774;MM395774;CC(=O)N(C=N)C=CC=O;UCQSTEWNXVAPOM-UHFFFAOYSA-N;140.14;0.15;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_Na";;;;;;;-0.24;;-3.24;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM395775;MM395775;C#CC#Cc1c[nH]c(F)c1;KMBKOVUHLRTMNL-UHFFFAOYSA-N;133.13;1.14;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNda_SC4";;;;;;;2.2;;0.49;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM395776;MM395776;CC(=O)N(C=N)C=CC#N;JEGOEKXQJVEZKS-UHFFFAOYSA-N;137.14;0.48;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda_P2";;;;;;;-0.24;;-3.31;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM395777;MM395777;C#CC#Cc1coc(C)c1;GTKZDMBGMXUAMC-UHFFFAOYSA-N;130.15;1.57;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC5_SC5";;;;;;;2.41;;0.64;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM395778;MM395778;CC(=O)N(C=O)C=CC=O;DJLFJXLSQYXASA-UHFFFAOYSA-N;141.13;-0.3;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_Na";;;;;;;-0.24;;-3.24;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM395779;MM395779;C#CC#Cc1coc(N)c1;UYEQVIYOCYEPTA-UHFFFAOYSA-N;131.13;0.85;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNd_SC5";;;;;;;1.64;;0.02;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM395780;MM395780;N#CC=CN(C=N)C(=N)N;PSJBXKBRZHVELN-UHFFFAOYSA-N;137.15;-0.17;;;;;DOPC;MDCG;27;1;"MARTINI bead: P4_N0";;;;;;;-0.88;;-5.54;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM395781;MM395781;N=Cn1c(O)nncc1=O;AYJURFCNAINSKV-UHFFFAOYSA-N;140.1;-1.2;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP2_SP3";;;;;;;-2.2;;-9.37;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM395782;MM395782;C#CC(C)CCC(O)CC;VEMVBWLJHZPIPS-UHFFFAOYSA-N;140.23;1.81;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda_C4";;;;;;;2.2;;0.49;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM395783;MM395783;C#CC#Cc1coc(F)c1;BIZSAGBNKSMWAN-UHFFFAOYSA-N;134.11;1.4;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNa_SC5";;;;;;;1.64;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM395784;MM395784;CC(=NOC(=O)CF)NN;KUCUQMYSQYFCAJ-UHFFFAOYSA-N;149.13;-0.7;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_Na";;;;;;;-0.24;;-3.24;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM395785;MM395785;CCCC(=O)C=NNCC;YKPOSDCRYQCJST-UHFFFAOYSA-N;142.2;0.95;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_Nd";;;;;;;1.64;;0.02;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM395786;MM395786;NC(=O)N(C=O)C=CC=O;DULOHPHWTZVWRH-UHFFFAOYSA-N;142.11;-0.76;;;;;DOPC;MDCG;27;0;"MARTINI bead: P4_Na";;;;;;;-1.19;;-4.76;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM395787;MM395787;COCC=NN(C)C=NN;NBEBRTREVSGHGF-UHFFFAOYSA-N;144.18;-0.55;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_P2";;;;;;;-0.24;;-3.24;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM395788;MM395788;C=NN(C=CC#N)C(C)=N;OQGHCAYFVRZLOA-UHFFFAOYSA-N;136.16;0.94;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_N0";;;;;;;0.34;;-1.53;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM395789;MM395789;CNN=CNC(=O)C(=O)O;XNZVUJUIOUPARJ-UHFFFAOYSA-N;145.12;-1.65;;;;;DOPC;MDCG;27;0;"MARTINI bead: P3_P1";;;;;;;-1.93;;-8.85;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM395790;MM395790;C=CC=CN(N=C)C(C)=O;MOEAVXQCMVROSG-UHFFFAOYSA-N;138.17;1.15;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_C4";;;;;;;1.09;;-0.38;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM395791;MM395791;C#CC#Cc1cc(F)n[nH]1;XCUQODQPFJKVKE-UHFFFAOYSA-N;134.11;0.53;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNda_SC5";;;;;;;1.64;;0.05;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM395792;MM395792;C=NN(C=CC=O)C(=N)N;LUIRSAILUOVBRL-UHFFFAOYSA-N;140.15;-0.49;;;;;DOPC;MDCG;27;1;"MARTINI bead: P2_Na";;;;;;;-0.24;;-5.04;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM395793;MM395793;C#CC#Cc1cc(C)on1;SXRGNNWGIDOCIY-UHFFFAOYSA-N;131.13;0.97;;;;;DOPC;MDCG;27;0;"MARTINI bead: SN0_SNa";;;;;;;1.17;;-1.18;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM395794;MM395794;CNC1(C#N)CC1C(C)=O;CYAYVDOXNQIXMH-UHFFFAOYSA-N;138.17;0.08;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP1_P1";;;;;;;-0.79;;-3.13;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM395795;MM395795;O=c1[nH]c(O)nc(=NO)o1;OKFPUDDHCKSOBM-UHFFFAOYSA-N;145.07;-1.64;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP3_SP3";;;;;;;-3.07;;-10.13;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM395796;MM395796;C=C(C)N(C=O)C=NC=N;RONFQFALVGGAGR-UHFFFAOYSA-N;139.16;0.61;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda_P2";;;;;;;-0.24;;-3.31;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM395797;MM395797;C#CC#Cc1cc(F)on1;NWTVUZKKUFKJPW-UHFFFAOYSA-N;135.1;0.8;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNa_SNa";;;;;;;0.87;;-2.22;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM395798;MM395798;CC(=N)N(C=O)C=NC=N;MHORMSLHUGCEGX-UHFFFAOYSA-N;140.15;0.08;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nd_P3";;;;;;;-1.1;;-3.93;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM395799;MM395799;C#CC#Cc1c[nH]c(O)n1;LTLLZOMEXFFSFE-UHFFFAOYSA-N;132.12;0.1;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP1_SNda";;;;;;;0.04;;-2.73;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM395800;MM395800;C=CN(C=NC=N)C(C)=O;YFBMCXSPEJCIKN-UHFFFAOYSA-N;139.16;0.61;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_P2";;;;;;;-0.24;;-3.24;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM395801;MM395801;C#CC#Cc1coc(C)n1;VHLNZATUUMZWSJ-UHFFFAOYSA-N;131.13;0.97;;;;;DOPC;MDCG;27;0;"MARTINI bead: SN0_SNa";;;;;;;1.17;;-1.18;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM395802;MM395802;CC(=O)N(C=N)C=NC=N;NXKNOEOMLSWQCV-UHFFFAOYSA-N;140.15;0.08;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_P3";;;;;;;-1.1;;-4.2;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM395803;MM395803;C#CC#Cc1coc(N)n1;CZLKXBOZJLACKV-UHFFFAOYSA-N;132.12;0.24;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP1_SNa";;;;;;;0.04;;-2.54;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM395804;MM395804;CC(=O)N(C=O)C=NC=N;CSVWRXAOCXBROY-UHFFFAOYSA-N;141.13;-0.37;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_P2";;;;;;;-1.34;;-4.31;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM395805;MM395805;C#CC#Cc1coc(F)n1;SJLSMSIAUDWLNA-UHFFFAOYSA-N;135.1;0.8;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNa_SNa";;;;;;;0.87;;-2.22;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM395806;MM395806;C=CN(C=NC=N)C(=N)N;JWORNFICEHIQPU-UHFFFAOYSA-N;139.16;-0.04;;;;;DOPC;MDCG;27;1;"MARTINI bead: P2_P2";;;;;;;-1.34;;-7.44;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM395807;MM395807;C#CC#Cc1n[nH]c(N)n1;GKZUUONPSQEBHF-UHFFFAOYSA-N;132.13;-0.63;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP2_SNda";;;;;;;-0.24;;-3.31;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM395808;MM395808;CCC12C=CC(O)(C1)C2C;IJJWMHBDVGHSHS-UHFFFAOYSA-N;138.21;1.72;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC1_SNda";;;;;;;2.91;;0.57;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM395809;MM395809;C=CC1(C=C)NC1C(=O)O;KTSOQBVQSQUTOB-UHFFFAOYSA-N;139.15;0.15;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_SNd";;;;;;;0.04;;-7.19;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM395810;MM395810;C=NN=CN(C=N)C(C)=N;SAMDUWFTWQMTOM-UHFFFAOYSA-N;139.16;0.54;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_N0";;;;;;;0.06;;-2.21;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM395811;MM395811;C#CC#Cc1noc(C)n1;NNBHUXYZENIIAR-UHFFFAOYSA-N;132.12;0.36;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNa_SNa";;;;;;;0.87;;-2.22;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM395812;MM395812;C=NN=CN(C=N)C(=N)N;LSMOKDBGRMKDLB-UHFFFAOYSA-N;140.15;-0.57;;;;;DOPC;MDCG;27;1;"MARTINI bead: P4_N0";;;;;;;-0.88;;-5.22;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM395813;MM395813;C#CC#Cc1noc(N)n1;VBNSKQLKPZGWJR-UHFFFAOYSA-N;133.11;-0.36;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP1_SNa";;;;;;;0.04;;-2.54;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM395814;MM395814;C=NN(C=NC=N)C(=C)C;NPNPXWUCEFJTDI-UHFFFAOYSA-N;138.17;1.07;;;;;DOPC;MDCG;27;0;"MARTINI bead: N0_P2";;;;;;;0.06;;-2.21;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM395815;MM395815;CC1C(C(=O)O)N1C;GHSMUILLOYAZEF-UHFFFAOYSA-N;115.13;-0.23;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNd_P1";;;;;;;0.04;;-7.19;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM395816;MM395816;CNN=CN(N)CC=NN;HCILZLBZIWASKJ-UHFFFAOYSA-N;144.18;-1.73;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_P1";;;;;;;-1.06;;-3.82;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM395817;MM395817;C#CC#Cc1noc(F)n1;CBHZNTMGHKUDAT-UHFFFAOYSA-N;136.09;0.19;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNa_SNa";;;;;;;0.87;;-2.22;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM395818;MM395818;CCCCC1(C)C(C)C1O;KHEDUEBGCYKFCZ-UHFFFAOYSA-N;142.24;2.19;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1_SNda";;;;;;;2.91;;0.57;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM395819;MM395819;CC(=O)OC=C(C)C(=O)O;NNAXEZDVTMQXPB-UHFFFAOYSA-N;144.13;0.54;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_Nda";;;;;;;0.87;;-6.61;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM395820;MM395820;C=NN=CN(N=C)C(C)=N;OBLOEINFHMKGHW-UHFFFAOYSA-N;139.16;0.55;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_N0";;;;;;;0.34;;-1.53;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM395821;MM395821;CC#CCNC(=O)C(=O)O;OQALGMPQDHSRJP-UHFFFAOYSA-N;141.13;-0.79;;;;;DOPC;MDCG;27;0;"MARTINI bead: N0_P2";;;;;;;0.06;;-6.68;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM395822;MM395822;CCNN=CNC(=N)OC;KEPJOZWUKGBFDH-UHFFFAOYSA-N;144.18;-0.29;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_P1";;;;;;;-0.79;;-3.13;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM395823;MM395823;COC=C(F)C(=O)O;VEEAZULUHOYAHG-UHFFFAOYSA-N;120.08;0.53;;;;;DOPC;MDCG;27;0;"MARTINI bead: N0_P1";;;;;;;0.34;;-6.11;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM395824;MM395824;O=c1cn[nH]n1O;IBPBHYNDOQFKIN-UHFFFAOYSA-N;101.07;-1.19;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP2_SP3";;;;;;;-2.2;;-9.37;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM395825;MM395825;C=CC=NN(C=O)C(C)=O;PLHWNTGSRKWWKR-UHFFFAOYSA-N;140.14;0.16;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_P2";;;;;;;-0.24;;-3.24;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM395826;MM395826;CC(F)C(O)C#CC(=O)O;ZFUCOCJBBKWOHY-UHFFFAOYSA-N;146.12;-0.21;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda_P1";;;;;;;0.04;;-7.29;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM395827;MM395827;CC(=O)N(C=O)N=CC#N;VMCIOGPTIHWDIJ-UHFFFAOYSA-N;139.11;-0.5;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_P2";;;;;;;-0.24;;-3.24;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM395828;MM395828;N=c1cnnc(O)n1C=O;BROVJYPXSDSIRH-UHFFFAOYSA-N;140.1;-1.5;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP2_SP3";;;;;;;-2.2;;-9.37;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM395829;MM395829;C=CN(N=CC=O)C(=N)N;PKJKPESRZUSCFQ-UHFFFAOYSA-N;140.15;-0.49;;;;;DOPC;MDCG;27;1;"MARTINI bead: P2_Na";;;;;;;-0.24;;-5.46;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM395830;MM395830;O=Cn1cc(O)nn1;IWQXDDVTSZJQNW-UHFFFAOYSA-N;113.08;-0.98;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP2_SP2";;;;;;;-1.34;;-8.81;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM395831;MM395831;N=CN(N=CC=O)C(=N)N;JVWSLMZMSBELSH-UHFFFAOYSA-N;141.13;-1.03;;;;;DOPC;MDCG;27;1;"MARTINI bead: P4_Na";;;;;;;-1.19;;-5.85;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM395832;MM395832;C#CC#Cc1nnc(O)o1;KHEYTALXRKDLGE-UHFFFAOYSA-N;134.09;-0.24;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP1_SNa";;;;;;;0.04;;-7.12;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM395833;MM395833;C=CN(N=CC=O)C(N)=O;OAWKJDWFRLFDIF-UHFFFAOYSA-N;141.13;-0.3;;;;;DOPC;MDCG;27;0;"MARTINI bead: P3_Na";;;;;;;-1.1;;-4.2;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM395834;MM395834;O=CC(=CC(=O)O)CO;VLKNQXFABIAYNZ-UHFFFAOYSA-N;130.1;-0.81;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_P1";;;;;;;-1.06;;-8.31;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM395835;MM395835;N#CC(=N)NC=COC=O;GWMZMXMCGZZTEW-UHFFFAOYSA-N;139.11;-0.28;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_Na";;;;;;;-0.24;;-3.24;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM395836;MM395836;CC(=O)NCC#CC(=O)O;HTQCEXSKHYEJKU-UHFFFAOYSA-N;141.13;-0.79;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_Nda";;;;;;;-0.24;;-7.79;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM395837;MM395837;NC(=O)N(C=O)N=CC=O;UNNQCFHGZPJLIB-UHFFFAOYSA-N;143.1;-1.29;;;;;DOPC;MDCG;27;0;"MARTINI bead: P4_Na";;;;;;;-1.19;;-4.76;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM395838;MM395838;N#Cc1onc(N)c1O;PPQAGEDKPOUXBH-UHFFFAOYSA-N;125.09;-0.17;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP1_SN0";;;;;;;0.34;;-6.11;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM395839;MM395839;N#CC=NN(C=O)C(N)=O;GBQGKJNPNHDFGI-UHFFFAOYSA-N;140.1;-0.97;;;;;DOPC;MDCG;27;0;"MARTINI bead: P3_Na";;;;;;;-1.1;;-4.2;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM395840;MM395840;COC(=O)N(N)CC(=O)O;XUYSOFMXDUXCMH-UHFFFAOYSA-N;148.12;-0.99;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_P1";;;;;;;-0.79;;-7.72;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM395841;MM395841;C#CC=CC(C=O)C(=C)C;KZUPOAFALYOETQ-UHFFFAOYSA-N;134.18;1.57;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_N0";;;;;;;1.17;;-1.18;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM395842;MM395842;C#CC=CC(C=C)C(C)=O;JBOPRQXVSVAONX-UHFFFAOYSA-N;134.18;1.57;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_N0";;;;;;;1.17;;-1.18;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM395843;MM395843;C=CCN1CC1C(=O)O;ZVWAMORYOWMYIW-UHFFFAOYSA-N;127.14;-0.06;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_SNd";;;;;;;0.04;;-7.2;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM395844;MM395844;C#CC=CC(C#N)C(=N)N;LCJPAAQPMGHOJA-UHFFFAOYSA-N;133.15;0.25;;;;;DOPC;MDCG;27;1;"MARTINI bead: P2_N0";;;;;;;0.06;;-4.38;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM395845;MM395845;C=CC#CC1=CC(C)CC1;OCMWUQLBADNFPH-UHFFFAOYSA-N;132.21;2.53;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC4_SC3";;;;;;;3.9;;0.47;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM395846;MM395846;C#CC=CC(C=O)C(N)=O;USIQUJUXTPUQTM-UHFFFAOYSA-N;137.14;-0.52;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda_P2";;;;;;;-0.24;;-3.31;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM395847;MM395847;CC1C=C(C#CC#N)CC1;RGZZGZMQMXYVPS-UHFFFAOYSA-N;131.18;1.87;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC4_SC5";;;;;;;2.97;;0.45;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM395848;MM395848;C#CC=CN(C=N)C(=N)N;DZAFTSQCOPRQLW-UHFFFAOYSA-N;136.16;-0.06;;;;;DOPC;MDCG;27;1;"MARTINI bead: P3_N0";;;;;;;-0.8;;-5.98;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM395849;MM395849;C=CC#CC1=CC(N)CC1;JITIBBOIQRXTHS-UHFFFAOYSA-N;133.19;1.22;;;;;DOPC;MDCG;27;1;"MARTINI bead: SNd_SC3";;;;;;;2.57;;-1.16;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM395850;MM395850;C#CC=CN(C=O)C(=N)N;GDWNKXNHVNWCLY-UHFFFAOYSA-N;137.14;-0.51;;;;;DOPC;MDCG;27;1;"MARTINI bead: P3_N0";;;;;;;-0.8;;-4.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM395851;MM395851;C=CC#CC1=CC(O)CC1;VRCYHLFVEAHEHD-UHFFFAOYSA-N;134.18;1.26;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNda_SC3";;;;;;;2.57;;0.44;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM395852;MM395852;C#CC=CN(C=C)C(N)=O;YTPHSYPJOFBJOL-UHFFFAOYSA-N;136.15;0.66;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_N0";;;;;;;0.06;;-2.21;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM395853;MM395853;N#CC#CC1=CC(O)CC1;IKXHDXOMEBZCMM-UHFFFAOYSA-N;133.15;0.59;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNda_SC5";;;;;;;1.64;;0.05;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM395854;MM395854;C=C(C#N)C(C=O)=NNC;BMSWJVPQDOFOHA-UHFFFAOYSA-N;137.14;-0.16;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_N0";;;;;;;0.34;;-1.53;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM395855;MM395855;C=CC#CC1=CC(F)CC1;MANXZJADRRGFLD-UHFFFAOYSA-N;136.17;2.23;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC5_SC3";;;;;;;3.34;;0.48;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM395856;MM395856;C#CC=NN(C=O)C(C)=N;WZIJTBKABUXUQD-UHFFFAOYSA-N;137.14;0.06;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nd_P2";;;;;;;-0.24;;-3.16;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM395857;MM395857;N#CC#CC1=CC(F)CC1;PMTZMFNTPASPLD-UHFFFAOYSA-N;135.14;1.57;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC5_SC5";;;;;;;2.41;;0.64;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM395858;MM395858;C#CC=NN(C=N)C(=N)N;YMPPQRFPXHRWAT-UHFFFAOYSA-N;137.15;-0.59;;;;;DOPC;MDCG;27;1;"MARTINI bead: P4_N0";;;;;;;-0.88;;-4.8;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM395859;MM395859;C=CC#CC1=CC(C)NC1;ZWBBOZXPHYEPRQ-UHFFFAOYSA-N;133.19;1.09;;;;;DOPC;MDCG;27;1;"MARTINI bead: SNd_SN0";;;;;;;1.17;;-3.66;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM395860;MM395860;NN=CC(N=CNN)=NN;JSSCOXUWLZNGNZ-UHFFFAOYSA-N;143.15;-2.31;;;;;DOPC;MDCG;27;0;"MARTINI bead: P3_P1";;;;;;;-1.93;;-4.72;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM395861;MM395861;CC1C=C(C#CC#N)CN1;APNMSNOSSOHIAH-UHFFFAOYSA-N;132.17;0.43;;;;;DOPC;MDCG;27;1;"MARTINI bead: SNd_SP1";;;;;;;0.04;;-5.04;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM395862;MM395862;C#CC=NN(C=O)C(N)=O;DQMRQYPVYLPDKB-UHFFFAOYSA-N;139.11;-0.86;;;;;DOPC;MDCG;27;0;"MARTINI bead: P4_N0";;;;;;;-0.88;;-3.74;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM395863;MM395863;C=CC#CC1=CC(C)OC1;KOIMHNVQUWUWMG-UHFFFAOYSA-N;134.18;1.52;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNa_SC5";;;;;;;1.64;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM395864;MM395864;C#CC(C=CCC)C(C)=O;WVYXPXHVXAFGDB-UHFFFAOYSA-N;136.19;1.79;;;;;DOPC;MDCG;27;0;"MARTINI bead: C3_Na";;;;;;;2.57;;0.45;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM395865;MM395865;CC1C=C(C#CC#N)CO1;WZRXPINWPJZPPT-UHFFFAOYSA-N;133.15;0.86;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNa_SN0";;;;;;;1.17;;-1.18;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM395866;MM395866;C#CC(C=COC)C(C)=O;VQUFCGVIHHMJPF-UHFFFAOYSA-N;138.17;0.98;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_Na";;;;;;;0.87;;-2.22;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM395867;MM395867;CC1C=C(C#CC#N)OC1;SCHZBPKXVSLOCX-UHFFFAOYSA-N;133.15;1.06;;;;;DOPC;MDCG;27;0;"MARTINI bead: SN0_SNa";;;;;;;1.17;;-1.18;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM395868;MM395868;C#CC(C=COC)C(=N)N;AXLOFWSMZWNWMB-UHFFFAOYSA-N;138.17;0.33;;;;;DOPC;MDCG;27;1;"MARTINI bead: Na_P1";;;;;;;0.04;;-5.79;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM395869;MM395869;N#CC#CC1=CC(O)CO1;ICJAANKAAYWMFU-UHFFFAOYSA-N;135.12;-0.21;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP1_SNa";;;;;;;0.04;;-2.54;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM395870;MM395870;CC#CC(=NNCC)NN;XRLBFXGPMNIPTK-UHFFFAOYSA-N;140.19;-0.6;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_N0";;;;;;;0.06;;-2.21;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM395871;MM395871;N#CC#CC1=CC(F)CO1;UGENKVCHAZYEPF-UHFFFAOYSA-N;137.11;0.77;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNa_SNa";;;;;;;0.87;;-2.22;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM395872;MM395872;C#CC(C=CC=O)C(=C)C;IZTSKTJSYVZOGP-UHFFFAOYSA-N;134.18;1.57;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4_Na";;;;;;;2.2;;0.34;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM395873;MM395873;C=CC#CC1=NN(C)CC1;BKBPUXFRSVSYSS-UHFFFAOYSA-N;134.18;0.87;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP1_SN0";;;;;;;0.34;;-1.53;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM395874;MM395874;C#CC(C=NN=C)C(=C)C;NFACSRNIRQCLLL-UHFFFAOYSA-N;134.18;1.5;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4_N0";;;;;;;2.5;;0.44;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM395875;MM395875;CN1CCC(C#CC#N)=N1;HPPZPMORMZKIMS-UHFFFAOYSA-N;133.15;0.2;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP1_SN0";;;;;;;0.34;;-1.53;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM395876;MM395876;C#CC=CC(C#C)C(N)=O;QDWLUVNMEMDBQR-UHFFFAOYSA-N;133.15;-0.09;;;;;DOPC;MDCG;27;0;"MARTINI bead: P3_C3";;;;;;;0.6;;-0.8;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM395877;MM395877;C#CC#CC1=CC(C)CC1;BLOHLVNJGFNFQD-UHFFFAOYSA-N;130.19;1.98;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC4_SC4";;;;;;;3.53;;0.53;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM395878;MM395878;CC(C)C(C=CCN)=CF;NNPIIYSYANCKGB-UHFFFAOYSA-N;143.21;2.01;;;;;DOPC;MDCG;27;1;"MARTINI bead: C3_Nda";;;;;;;2.57;;-1.14;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM395879;MM395879;C#CC#CC1=CC(N)CC1;AXDUNDGULCLQSK-UHFFFAOYSA-N;131.18;0.67;;;;;DOPC;MDCG;27;1;"MARTINI bead: SNd_SC4";;;;;;;2.2;;-1.86;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM395880;MM395880;CC(F)C(C=CCN)=CF;SFXFDEJZDSQDPO-UHFFFAOYSA-N;147.17;1.71;;;;;DOPC;MDCG;27;1;"MARTINI bead: C5_P1";;;;;;;0.81;;-2.72;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM395881;MM395881;C#CC#CC1=CC(O)CC1;DHCMXHGPIMCKLX-UHFFFAOYSA-N;132.16;0.7;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNda_SC4";;;;;;;2.2;;0.49;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM395882;MM395882;COC=CC(=CF)C(C)N;JGDGNVCCCFMQTN-UHFFFAOYSA-N;145.18;1.35;;;;;DOPC;MDCG;27;1;"MARTINI bead: Na_Nda";;;;;;;0.87;;-4.35;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM395883;MM395883;C#CC#CC1=CC(F)CC1;UZDONSOEMPQACI-UHFFFAOYSA-N;134.15;1.68;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC5_SC4";;;;;;;2.97;;0.45;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM395884;MM395884;CCC=CC(=NN)C(C)C;IGJOCYMIEZFYKO-UHFFFAOYSA-N;140.23;1.92;;;;;DOPC;MDCG;27;0;"MARTINI bead: C3_Nd";;;;;;;2.57;;0.53;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM395885;MM395885;C#CC#CC1=CC(C)NC1;PGHJFXJWQYCYHG-UHFFFAOYSA-N;131.18;0.54;;;;;DOPC;MDCG;27;1;"MARTINI bead: SNd_SN0";;;;;;;1.17;;-3.58;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM395886;MM395886;CC=NNC(=CC=O)OC;QBQGMFDJJVXKAU-UHFFFAOYSA-N;142.16;0.27;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_Nd";;;;;;;0.87;;-1.88;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM395887;MM395887;C#CC#CC1=CC(C)OC1;XAVKXGUESAPCBP-UHFFFAOYSA-N;132.16;0.97;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNa_SN0";;;;;;;1.17;;-1.18;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM395888;MM395888;C#CC(=CN=NC)NN=C;VLSKRHHNKXUARG-UHFFFAOYSA-N;136.16;0.75;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_C5";;;;;;;0.54;;-1.09;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM395889;MM395889;C#CC#CC1=CC(C)CO1;GVICEWSNRAQUNI-UHFFFAOYSA-N;132.16;1.17;;;;;DOPC;MDCG;27;0;"MARTINI bead: SN0_SC5";;;;;;;1.94;;0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM395890;MM395890;C#CC(=NN)C(=NN)NN;NDFCZKXBIWXEPE-UHFFFAOYSA-N;140.15;-2.33;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nd_P3";;;;;;;-1.1;;-3.93;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM395891;MM395891;C#CC#CC1=CC(N)CO1;UJSLFJFEXGGONV-UHFFFAOYSA-N;133.15;-0.14;;;;;DOPC;MDCG;27;1;"MARTINI bead: SP2_SC5";;;;;;;0.54;;-2.7;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM395892;MM395892;C#CC(=NN=CCC)NN;OTPKLVQUVITGHH-UHFFFAOYSA-N;138.17;-0.12;;;;;DOPC;MDCG;27;0;"MARTINI bead: C3_P3";;;;;;;0.6;;-0.8;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM395893;MM395893;C#CC#CC1=CC(O)CO1;NIHRQSLKCZAGJD-UHFFFAOYSA-N;134.13;-0.1;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP1_SC5";;;;;;;0.81;;-0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM395894;MM395894;CC=C(C=NNC)C(C)C;ZBYFETOLVXOGPH-UHFFFAOYSA-N;140.23;1.79;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_C1";;;;;;;1.8;;0.4;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM395895;MM395895;C#CC#CC1=CC(F)CO1;JVHNZBAFVWKNFF-UHFFFAOYSA-N;136.13;0.88;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNa_SC5";;;;;;;1.64;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM395896;MM395896;CNN=CC(=CF)C(C)C;VYBZWEQGHOAWEM-UHFFFAOYSA-N;144.19;1.7;;;;;DOPC;MDCG;27;0;"MARTINI bead: P3_C1";;;;;;;0.94;;0.03;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM395897;MM395897;C#CC#CC1=NN(C)CC1;IZDLEVUYEDJCIK-UHFFFAOYSA-N;132.17;0.31;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP1_SN0";;;;;;;0.34;;-1.53;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM395898;MM395898;CC=C(C=NNC)C(C)F;ZEEJDRJOYXPOFZ-UHFFFAOYSA-N;144.19;1.5;;;;;DOPC;MDCG;27;0;"MARTINI bead: P3_C1";;;;;;;0.94;;0.03;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM395899;MM395899;C=C1C=C(C#CCC)CC1;YAZUUPTXCZDGCC-UHFFFAOYSA-N;132.21;2.68;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC2_SC4";;;;;;;4.16;;0.44;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM395900;MM395900;C=CN(O)C(=NO)C(F)F;SNXLYSDGFOAICK-UHFFFAOYSA-N;152.1;0.87;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda_N0";;;;;;;1.17;;-5.24;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM395901;MM395901;C=CC#CC1=CC(=C)CC1;QYBUXBLIQAQNCD-UHFFFAOYSA-N;130.19;2.45;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC3_SC4";;;;;;;3.9;;0.47;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM395902;MM395902;CN(C)C(C=CCO)=NN;JLCSCBFAEWYJKO-UHFFFAOYSA-N;143.19;-0.63;;;;;DOPC;MDCG;27;1;"MARTINI bead: P2_Nda";;;;;;;-0.24;;-5.35;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM395903;MM395903;C=C1C=C(C#CC#N)CC1;XWQJYBFHDPMUTL-UHFFFAOYSA-N;129.16;1.79;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC4_SC5";;;;;;;2.97;;0.45;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM395904;MM395904;N=Cn1nnc(=O)c(N)n1;ZUWAWBCJVMBIBL-UHFFFAOYSA-N;140.11;-1.93;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP2_SP4";;;;;;;-2.29;;-5.95;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM395905;MM395905;C=CC#CC1=CC(=O)CC1;XZZLEHVLDQUMLM-UHFFFAOYSA-N;132.16;1.47;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC3_SNa";;;;;;;2.57;;0.45;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM395906;MM395906;CN=C(C=CCO)N(C)N;QGZASDZORSLNHK-UHFFFAOYSA-N;143.19;-0.63;;;;;DOPC;MDCG;27;1;"MARTINI bead: P2_Nda";;;;;;;-0.24;;-5.68;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM395907;MM395907;N#CC#CC1=CC(=O)CC1;BXKIEZCTWKABQI-UHFFFAOYSA-N;131.13;0.8;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNa_SC5";;;;;;;1.64;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM395908;MM395908;CNC1=NC(=O)C(=O)C=N1;SYTLDVOBYORRQP-UHFFFAOYSA-N;139.11;-1.26;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNd_SP1";;;;;;;0.04;;-2.63;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM395909;MM395909;C=CC#CC1=CC(=N)NC1;GNOIPCHSDNDAAH-UHFFFAOYSA-N;132.17;0.68;;;;;DOPC;MDCG;27;1;"MARTINI bead: SN0_SP1";;;;;;;0.34;;-4.59;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM395910;MM395910;CN=c1nc(F)c(N)no1;LNLCLPVKVXPELI-UHFFFAOYSA-N;144.11;-0.68;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP2_SP3";;;;;;;-2.2;;-5.19;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM395911;MM395911;N#CC#CC1=CC(=N)NC1;UKQXARZSOILTES-UHFFFAOYSA-N;131.14;0.02;;;;;DOPC;MDCG;27;1;"MARTINI bead: SP1_SP1";;;;;;;-0.79;;-6.17;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM395912;MM395912;CN(O)C(C=CCO)=NO;TWUPWVSBNKCSMF-UHFFFAOYSA-N;146.15;-0.36;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_Nda";;;;;;;-0.24;;-3.31;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM395913;MM395913;C=CC#CC1=CC(=O)NC1;GKBWAPAMDKLGPP-UHFFFAOYSA-N;133.15;0.23;;;;;DOPC;MDCG;27;0;"MARTINI bead: SN0_SP2";;;;;;;0.06;;-2.21;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM395914;MM395914;O=c1nccc2[nH]onc1-2;FFAURNOQMBBYLQ-UHFFFAOYSA-N;137.1;-0.14;;;;;DOPC;MDCG;27;0;"MARTINI bead: SN0_SP1";;;;;;;0.34;;-1.53;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM395915;MM395915;N#CC#CC1=CC(=O)NC1;XZDYEYBPPXQTIJ-UHFFFAOYSA-N;132.12;-0.43;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP2_SP1";;;;;;;-1.06;;-3.82;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM395916;MM395916;NN=C(C#CC1CO1)NN;RAASVUXRJYKMPG-UHFFFAOYSA-N;140.15;-1.88;;;;;DOPC;MDCG;27;0;"MARTINI bead: P3_SNa";;;;;;;-1.1;;-4.2;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM395917;MM395917;C=CC#CC1=CC(=C)OC1;MMBZINCUNZSHSZ-UHFFFAOYSA-N;132.16;1.65;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC5_SNa";;;;;;;1.64;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM395918;MM395918;CN=C(C=NNC)N(C)C;ITEIRCCDYJUQRD-UHFFFAOYSA-N;142.21;-0.22;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_P1";;;;;;;0.04;;-4.16;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM395919;MM395919;C=C1C=C(C#CC#N)CO1;ZHVYFDKRLCFWRK-UHFFFAOYSA-N;131.13;0.98;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNa_SN0";;;;;;;1.17;;-1.18;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM395920;MM395920;N=C1NC=CC1=O;DFFNHRZYDKYGPS-UHFFFAOYSA-N;96.09;-0.35;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP1_SP2";;;;;;;-1.06;;-3.82;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM395921;MM395921;C=CC#CC1=CC(=O)OC1;XBPXZPCCAMDVAW-UHFFFAOYSA-N;134.13;0.66;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC5_SNa";;;;;;;1.64;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM395922;MM395922;CC1NC(C)C1=O;RPDJHFWNEUNGNM-UHFFFAOYSA-N;99.13;-0.06;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNd_SP3";;;;;;;-1.1;;-3.93;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM395923;MM395923;N#CC#CC1=CC(=O)OC1;VSKVGFFDHYARIV-UHFFFAOYSA-N;133.11;;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNa_SN0";;;;;;;1.17;;-1.18;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM395924;MM395924;C=CC1CC(C)(O)C1;FWVAVXULACDEIW-UHFFFAOYSA-N;112.17;1.33;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNda_SC4";;;;;;;2.2;;0.49;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM395925;MM395925;C=CC#Cc1cc(O)c[nH]1;QRCATZWZKHVZCE-UHFFFAOYSA-N;133.15;1.26;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNda_SC4";;;;;;;2.2;;0.49;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM395926;MM395926;CN(C)C(=NN)NC=NN;VVRUGDTZOPUVLV-UHFFFAOYSA-N;144.18;-1.73;;;;;DOPC;MDCG;27;1;"MARTINI bead: P2_P1";;;;;;;-1.06;;-5.94;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM395927;MM395927;N#CC#Cc1cc(O)c[nH]1;XCNYISXJZJLJFV-UHFFFAOYSA-N;132.12;0.6;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNda_SC5";;;;;;;1.64;;0.05;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM395928;MM395928;CC=C(C=CC#N)C(C)C;WVPCWEUFOWOKDF-UHFFFAOYSA-N;135.21;2.67;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1_N0";;;;;;;3.21;;0.46;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM395929;MM395929;OC=C1C=C(O)C=N1;QNWZYJHUFRMCCI-UHFFFAOYSA-N;111.1;0.91;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNda_SNda";;;;;;;0.87;;-6.68;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM395930;MM395930;CC(C)C(C=CC#N)=CF;AYUBCIACWMKMKM-UHFFFAOYSA-N;139.17;2.58;;;;;DOPC;MDCG;27;0;"MARTINI bead: C3_N0";;;;;;;2.87;;0.37;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM395931;MM395931;C=NNC=NC=CC(=O)O;KVIBJTVJPXBALY-UHFFFAOYSA-N;141.13;-0.18;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_P1";;;;;;;-0.79;;-7.72;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM395932;MM395932;CC(C)C(C=CC#N)=NO;BWNQFHKOIMIZBB-UHFFFAOYSA-N;138.17;1.55;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_P1";;;;;;;0.81;;-0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM395933;MM395933;C=CC#CC1=CC(=C)CO1;JDPGODCFPWGVPA-UHFFFAOYSA-N;132.16;1.65;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC5_SN0";;;;;;;1.94;;0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM395934;MM395934;C=NN=CC(=CC)C(C)C;DESKWOPEEZSNTG-UHFFFAOYSA-N;138.21;2.28;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1_N0";;;;;;;3.21;;0.46;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM395935;MM395935;C=C1C=C(C#CC#N)OC1;YUIMDVRZFNBCQE-UHFFFAOYSA-N;131.13;0.98;;;;;DOPC;MDCG;27;0;"MARTINI bead: SN0_SNa";;;;;;;1.17;;-1.18;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM395936;MM395936;C=NN=CC(=CN)C(C)C;MJDQGFDDYWPQNY-UHFFFAOYSA-N;139.2;1.17;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4_P1";;;;;;;1.37;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM395937;MM395937;CN(C=NN)N=COC=O;MPYKQGFVMQFYFY-UHFFFAOYSA-N;144.13;-1.06;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_P1";;;;;;;-0.79;;-3.13;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM395938;MM395938;C=NN=CC(=CC)C(C)N;LQQLMTGFBJXJRT-UHFFFAOYSA-N;139.2;0.97;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_N0";;;;;;;1.17;;-3.13;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM395939;MM395939;C=CC(C#CC(=O)O)C=O;XWBKVKZZQYWDHN-UHFFFAOYSA-N;138.12;0.08;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_P2";;;;;;;0.54;;-5.56;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM395940;MM395940;C=NN=CC(=CN)C(C)N;UABPTSZSFLGBAX-UHFFFAOYSA-N;140.19;-0.14;;;;;DOPC;MDCG;27;1;"MARTINI bead: P2_N0";;;;;;;0.06;;-3.95;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM395941;MM395941;C#CC#CC1=CC(=C)CC1;YUOBQPSUJOCRKQ-UHFFFAOYSA-N;128.17;1.9;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC4_SC4";;;;;;;3.53;;0.53;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM395942;MM395942;C=NN=CC(=CF)C(C)N;OLHMXJISRBQWON-UHFFFAOYSA-N;143.17;0.87;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nda_N0";;;;;;;1.17;;-3.14;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM395943;MM395943;C#CC#CC1=CC(=O)CC1;XCBKPHRHZRPJSH-UHFFFAOYSA-N;130.15;0.91;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNa_SC4";;;;;;;2.2;;0.34;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM395944;MM395944;C=NN=CC(=CF)C(C)O;KVOMNGZGBVRTOZ-UHFFFAOYSA-N;144.15;0.91;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda_N0";;;;;;;1.17;;-1.13;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM395945;MM395945;C#CC#CC1=CC(=N)NC1;RSEDYCVGUOPCGV-UHFFFAOYSA-N;130.15;0.13;;;;;DOPC;MDCG;27;1;"MARTINI bead: SP1_SN0";;;;;;;0.34;;-4.57;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM395946;MM395946;C=CC1C(O)C1(C)C;CNUALGOQAJYZBQ-UHFFFAOYSA-N;112.17;1.19;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNda_C4";;;;;;;2.2;;0.49;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM395947;MM395947;C#CC#CC1=CC(=O)NC1;AUTFOXVGBFZZBW-UHFFFAOYSA-N;131.13;-0.32;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP2_SN0";;;;;;;0.06;;-2.21;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM395948;MM395948;CC1(CO)CCCC1;MXJAKZQKSYGLTK-UHFFFAOYSA-N;114.19;1.56;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC5_SC4";;;;;;;2.97;;0.45;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM395949;MM395949;C#CC#CC1=CC(=C)OC1;SIYPKDWIHKRYDR-UHFFFAOYSA-N;130.15;1.09;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNa_SN0";;;;;;;1.17;;-1.18;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM395950;MM395950;C=CC1(C)C(C)C1O;RFYMDBACEBHGDB-UHFFFAOYSA-N;112.17;1.19;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNda_C3";;;;;;;2.57;;0.44;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM395951;MM395951;C#CC#CC1=CC(=O)OC1;ITUWQTLAZRSXRV-UHFFFAOYSA-N;132.12;0.11;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNa_SN0";;;;;;;1.17;;-1.18;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM395952;MM395952;CC(C)(CO)C1CC1;YIKMOVUMRQAOIK-UHFFFAOYSA-N;114.19;1.41;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda_SC5";;;;;;;1.64;;0.05;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM395953;MM395953;C#CC#Cc1cc(O)c[nH]1;CQLNCLBSMDHSBU-UHFFFAOYSA-N;131.13;0.71;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNda_SC4";;;;;;;2.2;;0.49;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM395954;MM395954;CC1CC(C=O)=NN1;YPIKILBINSFHMV-UHFFFAOYSA-N;112.13;-0.08;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP1_SP1";;;;;;;-0.79;;-3.13;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM395955;MM395955;O=CNC(=O)C(F)C(=O)O;RQXHPZPKGXKFSI-UHFFFAOYSA-N;149.08;-1.32;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda_P3";;;;;;;-1.1;;-8.21;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM395956;MM395956;CN(O)C(C=CC=O)=NO;DHBSECSPECEHIC-UHFFFAOYSA-N;144.13;-0.15;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_Na";;;;;;;-0.24;;-3.24;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM395957;MM395957;C#CC#CC1=CC(=C)CO1;IXKPJVWWIZRVNI-UHFFFAOYSA-N;130.15;1.09;;;;;DOPC;MDCG;27;0;"MARTINI bead: SN0_SC5";;;;;;;1.94;;0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM395958;MM395958;C#CC=CC(=NO)C(C)C;SOLSHHBUPUMCDW-UHFFFAOYSA-N;137.18;1.66;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_N0";;;;;;;1.94;;0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM395959;MM395959;C#CCC=NN(C)C=NN;XMMKIWYSDYSJRS-UHFFFAOYSA-N;138.17;-0.17;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_N0";;;;;;;0.06;;-2.21;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM395960;MM395960;C#CC(=O)C1NC1C;FGNKEQDATIFHOU-UHFFFAOYSA-N;109.13;-0.45;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP1_P1";;;;;;;-0.79;;-3.13;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM395961;MM395961;CC(OC=O)=C(C)C(=O)O;PGGUYIBZLZIRKR-UHFFFAOYSA-N;144.13;0.54;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_C5";;;;;;;0.81;;-5.05;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM395962;MM395962;C#CC=CC(=NN)N(C)C;ABXSXNFUOWPMAB-UHFFFAOYSA-N;137.19;0.01;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_N0";;;;;;;1.17;;-2.64;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM395963;MM395963;C=CC#CC1=CC(C)C=C1;MEGMZHWFSOCMLI-UHFFFAOYSA-N;130.19;2.31;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC4_SC4";;;;;;;3.53;;0.53;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM395964;MM395964;C=NN=CNCC#N;NYLJRLHYHHVFAY-UHFFFAOYSA-N;110.12;-0.26;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nd_P1";;;;;;;0.04;;-2.63;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM395965;MM395965;CC1C=CC(C#CC#N)=C1;UFFSWJGCUNVBLX-UHFFFAOYSA-N;129.16;1.65;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC4_SN0";;;;;;;2.5;;0.44;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM395966;MM395966;C#CC=CC(=NO)N(C)O;YYWYCOWRFBPKDY-UHFFFAOYSA-N;140.14;0.28;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_N0";;;;;;;0.34;;-1.53;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM395967;MM395967;C=CC#CC1=CC(N)C=C1;VNZFQSBHFGOSNE-UHFFFAOYSA-N;131.18;1;;;;;DOPC;MDCG;27;1;"MARTINI bead: SNd_SC4";;;;;;;2.2;;-1.29;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM395968;MM395968;CCC=CC(=CN)C(C)=O;BNTABPVSSKIZNF-UHFFFAOYSA-N;139.2;1.38;;;;;DOPC;MDCG;27;0;"MARTINI bead: C3_P2";;;;;;;1.46;;-0.15;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM395969;MM395969;C=CC#CC1=CC(O)C=C1;RXPZFCZUGKFKMI-UHFFFAOYSA-N;132.16;1.03;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNda_SC4";;;;;;;2.2;;0.49;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM395970;MM395970;CC(=O)C(C=CCO)=CN;IFPPGIJQGDILJV-UHFFFAOYSA-N;141.17;-0.03;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_Nda";;;;;;;-0.24;;-3.31;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM395971;MM395971;N#CC#CC1=CC(O)C=C1;KOIHJOOYTWCOKF-UHFFFAOYSA-N;131.13;0.37;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNda_SN0";;;;;;;1.17;;-1.13;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM395972;MM395972;CCC=CC(=CF)C(C)=O;RJZHIIDTZDSUBB-UHFFFAOYSA-N;142.17;2.4;;;;;DOPC;MDCG;27;0;"MARTINI bead: C3_Na";;;;;;;2.57;;0.45;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM395973;MM395973;C=CC#CC1=CC(F)C=C1;GQBRQAHYBHYYIG-UHFFFAOYSA-N;134.15;2.01;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC5_SC4";;;;;;;2.97;;0.45;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM395974;MM395974;CC=C(C=CCN)C(=N)N;JRXBHYDHFYBSBB-UHFFFAOYSA-N;139.2;0.38;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_P1";;;;;;;0.04;;-7.07;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM395975;MM395975;N#CC#CC1=CC(F)C=C1;OTVHGTXQOGNLSN-UHFFFAOYSA-N;133.13;1.35;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC5_SN0";;;;;;;1.94;;0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM395976;MM395976;CC=C(C=CCO)C(=N)N;OONLYSNGPFVJCG-UHFFFAOYSA-N;140.19;0.42;;;;;DOPC;MDCG;27;1;"MARTINI bead: C4_P3";;;;;;;0.23;;-5.17;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM395977;MM395977;C=CC#Cc1ccn(C)c1;AZJLYJCZTKXLGQ-UHFFFAOYSA-N;131.18;1.56;;;;;DOPC;MDCG;27;0;"MARTINI bead: SN0_SC4";;;;;;;2.5;;0.44;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM395978;MM395978;CCC=CC(=CN)C(=N)N;HOPAYRIUVGSSFF-UHFFFAOYSA-N;139.2;0.73;;;;;DOPC;MDCG;27;1;"MARTINI bead: C3_P3";;;;;;;0.6;;-4.7;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM395979;MM395979;Cn1ccc(C#CC#N)c1;NJXCHOJIELWDPQ-UHFFFAOYSA-N;130.15;0.9;;;;;DOPC;MDCG;27;0;"MARTINI bead: SN0_SC5";;;;;;;1.94;;0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM395980;MM395980;CCC(C)(C)CC(C)O;CJGWLHDFPXIKQX-UHFFFAOYSA-N;130.23;2.19;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1_Nda";;;;;;;2.91;;0.57;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM395981;MM395981;C=CC#Cc1ccn(N)c1;FSVLUPAAQCHHRJ-UHFFFAOYSA-N;132.17;0.74;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNd_SC4";;;;;;;2.2;;0.32;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM395982;MM395982;CC(=O)C(C=CCO)=NO;KOFYOZIUIYYJAK-UHFFFAOYSA-N;143.14;-0.05;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda_P1";;;;;;;0.04;;-2.73;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM395983;MM395983;C=CC#Cc1ccn(O)c1;GIIXLSPNULDZAY-UHFFFAOYSA-N;133.15;1.26;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNda_SC4";;;;;;;2.2;;0.49;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM395984;MM395984;N#CC(COC=CF)=NO;RUZXOKLDAGRAON-UHFFFAOYSA-N;144.11;0.8;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_N0";;;;;;;0.06;;-6.26;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM395985;MM395985;N#CC#Cc1ccn(O)c1;CYWVLCUBJJCFIH-UHFFFAOYSA-N;132.12;0.6;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNda_SC5";;;;;;;1.64;;0.05;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM395986;MM395986;CN=CC=C(NO)C(C)=O;WMSLMPUOBGRMQA-UHFFFAOYSA-N;142.16;0.14;;;;;DOPC;MDCG;27;1;"MARTINI bead: N0_P2";;;;;;;0.06;;-5.34;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM395987;MM395987;C=CC#Cc1cnn(C)c1;BEMHBADFVMPDHG-UHFFFAOYSA-N;132.17;0.96;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNa_SN0";;;;;;;1.17;;-1.18;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM395988;MM395988;CN=CC=C(NN)C(=N)N;UAWYBIKBGLSFQT-UHFFFAOYSA-N;141.18;-1.03;;;;;DOPC;MDCG;27;1;"MARTINI bead: N0_P4";;;;;;;-0.88;;-7.16;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM395989;MM395989;Cn1cc(C#CC#N)cn1;ZUFULZGPQXLITE-UHFFFAOYSA-N;131.14;0.3;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNa_SN0";;;;;;;1.17;;-1.18;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM395990;MM395990;C=CC#Cc1cnn(N)c1;CZMRISYJKBXCJV-UHFFFAOYSA-N;133.15;0.13;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP1_SN0";;;;;;;0.34;;-1.53;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM395991;MM395991;CN=CC=C(NO)C(=N)N;QBOIJNLUMOXMLI-UHFFFAOYSA-N;142.16;-0.51;;;;;DOPC;MDCG;27;1;"MARTINI bead: N0_P4";;;;;;;-0.88;;-7.07;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM395992;MM395992;C=CC#Cc1cnn(O)c1;VDUXWJHOFKOFRM-UHFFFAOYSA-N;134.14;0.66;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP1_SN0";;;;;;;0.34;;-1.53;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM395993;MM395993;CN=CC=C(NN)C(N)=O;QCTZPALDSVRPDC-UHFFFAOYSA-N;142.16;-1.48;;;;;DOPC;MDCG;27;1;"MARTINI bead: N0_P4";;;;;;;-0.88;;-6.73;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM395994;MM395994;N#CC#Cc1cnn(O)c1;USCWCPGBOJUNIX-UHFFFAOYSA-N;133.11;;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP1_SN0";;;;;;;0.34;;-1.53;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM395995;MM395995;CN=CC=C(NO)C(N)=O;YVTPALMCRLVXLK-UHFFFAOYSA-N;143.15;-0.97;;;;;DOPC;MDCG;27;1;"MARTINI bead: N0_P3";;;;;;;-0.8;;-5.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM395996;MM395996;C=CC#Cc1cn(C)cn1;FIUVDQYKASCLCY-UHFFFAOYSA-N;132.17;0.96;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP1_SNa";;;;;;;0.04;;-2.54;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM395997;MM395997;C=C(C)C(C=NNC)=CC;OKMNDXVKIGFUPF-UHFFFAOYSA-N;138.21;1.71;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_C1";;;;;;;1.8;;0.4;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM395998;MM395998;Cn1cnc(C#CC#N)c1;JVWWPAJBGFKIQU-UHFFFAOYSA-N;131.14;0.3;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP1_SNa";;;;;;;0.04;;-2.54;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM395999;MM395999;CC=C(C=NNC)C(=N)N;ZPECOAHEABUYTN-UHFFFAOYSA-N;140.19;0.07;;;;;DOPC;MDCG;27;1;"MARTINI bead: P2_Nd";;;;;;;-0.24;;-6.68;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM396000;MM396000;C=CC#Cc1cn(N)cn1;QPTBIKSZOGTYOP-UHFFFAOYSA-N;133.15;0.13;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP2_SNa";;;;;;;-0.24;;-3.24;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM396001;MM396001;C#CC1(C)CC(C)(O)C1;BNUNSZDOCVZGLW-UHFFFAOYSA-N;124.18;1.17;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNda_SC4";;;;;;;2.2;;0.49;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM396002;MM396002;C=CC#Cc1cn(O)cn1;UCYILGJFTVBKKW-UHFFFAOYSA-N;134.14;0.66;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP2_SNa";;;;;;;-0.24;;-3.24;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM396003;MM396003;CON=CC(=CN)C(=N)N;VPPJKGCLMLKPDH-UHFFFAOYSA-N;142.16;-0.6;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nda_P3";;;;;;;-1.1;;-7.05;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM396004;MM396004;N#CC#Cc1cn(O)cn1;SAPUAZALCGJFCC-UHFFFAOYSA-N;133.11;;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP2_SNa";;;;;;;-0.24;;-3.24;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM396005;MM396005;CC=CC1CC(C)(O)C1;MRPQTQJGRQYSDZ-UHFFFAOYSA-N;126.2;1.72;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC2_SNda";;;;;;;2.83;;0.57;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM396006;MM396006;C=CC#Cc1cn(C)nn1;SXOGQMYQHAKAJO-UHFFFAOYSA-N;133.15;0.35;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP1_SNa";;;;;;;0.04;;-2.54;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM396007;MM396007;CN=NC=C(NN)C(=N)N;AGQSGQWRARXQDP-UHFFFAOYSA-N;142.17;-0.69;;;;;DOPC;MDCG;27;1;"MARTINI bead: C5_P4";;;;;;;-0.41;;-6.07;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM396008;MM396008;Cn1cc(C#CC#N)nn1;NTGFLRPQSWIAHF-UHFFFAOYSA-N;132.13;-0.31;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP1_SP1";;;;;;;-0.79;;-3.13;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM396009;MM396009;CN=NC=C(NO)C(=N)N;XJHBBSHZJAAWLF-UHFFFAOYSA-N;143.15;-0.18;;;;;DOPC;MDCG;27;1;"MARTINI bead: C5_P4";;;;;;;-0.41;;-5.72;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM396010;MM396010;C=CC#Cc1cn(N)nn1;AIQIDFPNCZYTCN-UHFFFAOYSA-N;134.14;-0.47;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP2_SNa";;;;;;;-0.24;;-3.24;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM396011;MM396011;C=CCC(O)(C=C)C=C;UUIJJCAHHHOAKY-UHFFFAOYSA-N;124.18;1.67;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda_C4";;;;;;;2.2;;0.49;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM396012;MM396012;C=CC#Cc1ccn(C)n1;JDHRLHCZBPPJIW-UHFFFAOYSA-N;132.17;0.96;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNa_SN0";;;;;;;1.17;;-1.18;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM396013;MM396013;CON=CC(=NO)C(N)=O;BNRNXQYVNODCGO-UHFFFAOYSA-N;145.12;-1.07;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_P2";;;;;;;-1.34;;-4.31;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM396014;MM396014;Cn1ccc(C#CC#N)n1;FJHQBJXFCQZGBW-UHFFFAOYSA-N;131.14;0.3;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNa_SN0";;;;;;;1.17;;-1.18;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM396015;MM396015;C=CC=CC(=CF)C(C)=O;KVZMNBMWGKKLQY-UHFFFAOYSA-N;140.16;2.17;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_C4";;;;;;;2.2;;0.34;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM396016;MM396016;C=CC#Cc1ccn(N)n1;CXEARSAFQOYLJN-UHFFFAOYSA-N;133.15;0.13;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP1_SN0";;;;;;;0.34;;-1.53;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM396017;MM396017;CC(CO)CC(=O)C(=O)O;NWDWLNROTWGLKL-UHFFFAOYSA-N;146.14;-0.34;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda_P2";;;;;;;-0.24;;-7.37;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM396018;MM396018;C=CC#Cc1ccn(O)n1;DSYMHTAUEYCGFH-UHFFFAOYSA-N;134.14;0.66;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP1_SN0";;;;;;;0.34;;-1.53;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM396019;MM396019;C=C(C)C(C=CC#N)=NO;YEJTUQWOEBRTPD-UHFFFAOYSA-N;136.15;1.47;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda_N0";;;;;;;1.17;;-1.13;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM396020;MM396020;N#CC#Cc1ccn(O)n1;SPVFABBLWFVYHW-UHFFFAOYSA-N;133.11;;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP1_SN0";;;;;;;0.34;;-1.53;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM396021;MM396021;N#CC=CC(=NO)C(=N)N;CPPKRMQNSABUGJ-UHFFFAOYSA-N;138.13;-0.17;;;;;DOPC;MDCG;27;1;"MARTINI bead: P3_N0";;;;;;;-0.8;;-4.01;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM396022;MM396022;C=CC#Cc1cnn(C)n1;GRXPTYQQESKRNT-UHFFFAOYSA-N;133.15;0.35;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP1_SN0";;;;;;;0.34;;-1.53;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM396023;MM396023;N#CC=CC(=NO)C(N)=O;KEONVPHTWCFXOJ-UHFFFAOYSA-N;139.11;-0.62;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_P1";;;;;;;-1.06;;-3.82;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM396024;MM396024;Cn1ncc(C#CC#N)n1;PVNSVNMPMWWAKZ-UHFFFAOYSA-N;132.13;-0.31;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP1_SP1";;;;;;;-0.79;;-3.13;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM396025;MM396025;C=NN=CC(=CN)C(=C)C;NJINTFSYDRNGRD-UHFFFAOYSA-N;137.19;1.09;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nd_N0";;;;;;;1.17;;-1.04;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM396026;MM396026;Cn1cnc(C#CC#N)n1;PAGVJDQFSHWNEL-UHFFFAOYSA-N;132.13;-0.31;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP1_SP1";;;;;;;-0.79;;-3.13;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM396027;MM396027;CC(=O)ON=C(C)NN;FERXHNNYHOAYOK-UHFFFAOYSA-N;131.14;-0.65;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_P2";;;;;;;-0.24;;-3.24;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM396028;MM396028;Cn1nnc(C#CC#N)n1;ZWEPLIYVBNBARL-UHFFFAOYSA-N;133.11;-0.91;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP2_SP1";;;;;;;-1.06;;-3.82;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM396029;MM396029;Nc1c(O)noc1F;ZRFYWLJHXZDJSX-UHFFFAOYSA-N;118.07;0.1;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP1_SNa";;;;;;;0.04;;-6.64;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM396030;MM396030;C#CC#CC1=CC(C)C=C1;YYEBSFQSSSFGHT-UHFFFAOYSA-N;128.17;1.76;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC4_SC4";;;;;;;3.53;;0.53;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM396031;MM396031;Oc1noc(O)c1O;ZTBFTCBGKILWBJ-UHFFFAOYSA-N;117.06;-0.21;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNda_SNda";;;;;;;0.87;;-6.18;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM396032;MM396032;C#CC#CC1=CC(N)C=C1;BFNYJADKYMSJPE-UHFFFAOYSA-N;129.16;0.45;;;;;DOPC;MDCG;27;1;"MARTINI bead: SNd_SC4";;;;;;;2.2;;-1.29;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM396033;MM396033;CCOCC(=O)N(C)N;KRTZYUJQPUWCQI-UHFFFAOYSA-N;132.16;-0.65;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_P3";;;;;;;-0.33;;-2.01;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM396034;MM396034;C#CC#CC1=CC(O)C=C1;XQYHRBMIHUDFSL-UHFFFAOYSA-N;130.15;0.48;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNda_SC4";;;;;;;2.2;;0.49;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM396035;MM396035;O=C(O)C(=O)CCCCO;KIKUKXLMZJYPTL-UHFFFAOYSA-N;146.14;-0.2;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda_P2";;;;;;;-0.24;;-7.37;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM396036;MM396036;C#CC#CC1=CC(F)C=C1;YGGJPABFXOSCIM-UHFFFAOYSA-N;132.14;1.46;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC5_SC4";;;;;;;2.97;;0.45;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM396037;MM396037;C#CC=CC(=NO)C(N)=O;BDJDRPFIEANXSH-UHFFFAOYSA-N;138.13;-0.51;;;;;DOPC;MDCG;27;0;"MARTINI bead: P3_N0";;;;;;;-0.8;;-2.99;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM396038;MM396038;C#CC#Cc1ccn(C)c1;ILGUEZPEEKTUHG-UHFFFAOYSA-N;129.16;1.01;;;;;DOPC;MDCG;27;0;"MARTINI bead: SN0_SC4";;;;;;;2.5;;0.44;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM396039;MM396039;C=Cc1noc(F)c1O;YGMJSQYJKOSHGQ-UHFFFAOYSA-N;129.09;1.16;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNda_SNa";;;;;;;0.87;;-6.11;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM396040;MM396040;C#CC#Cc1ccn(N)c1;CDSAHUTURXFKQF-UHFFFAOYSA-N;130.15;0.19;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNd_SC4";;;;;;;2.2;;0.32;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM396041;MM396041;CC(=NO)C(F)C(=O)O;AYQFYSIRZRDBLN-UHFFFAOYSA-N;135.09;0.26;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda_P1";;;;;;;0.04;;-6.82;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM396042;MM396042;C#CC#Cc1ccn(O)c1;ZXUNTDOMCARILA-UHFFFAOYSA-N;131.13;0.71;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNda_SC4";;;;;;;2.2;;0.49;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM396043;MM396043;CCC(C#CCN)C(C)C;DIPBODJUTCJIRW-UHFFFAOYSA-N;139.24;1.63;;;;;DOPC;MDCG;27;1;"MARTINI bead: C1_P2";;;;;;;1.8;;-0.43;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM396044;MM396044;C#CC#Cc1cnn(C)c1;MVIGPPZKSXOVLT-UHFFFAOYSA-N;130.15;0.4;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNa_SC5";;;;;;;1.64;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM396045;MM396045;CCC(C#CCO)C(C)C;BEXWIMDGRUEUFX-UHFFFAOYSA-N;140.23;1.66;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1_P2";;;;;;;1.8;;0.4;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM396046;MM396046;C#CC#Cc1cnn(N)c1;LXKMGOWUGMPENX-UHFFFAOYSA-N;131.14;-0.42;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP1_SC5";;;;;;;0.81;;-0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM396047;MM396047;CCC#CC(CN)C(C)C;MRJDDTPOZOFIQH-UHFFFAOYSA-N;139.24;1.63;;;;;DOPC;MDCG;27;1;"MARTINI bead: C5_C5";;;;;;;2.41;;-0.16;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM396048;MM396048;C#CC#Cc1cnn(O)c1;QOIDXWVBMDCJDR-UHFFFAOYSA-N;132.12;0.11;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP1_SC5";;;;;;;0.81;;-0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM396049;MM396049;CC(C)C(C#CCF)CN;UERDMUYRXNBHPT-UHFFFAOYSA-N;143.21;1.19;;;;;DOPC;MDCG;27;1;"MARTINI bead: C5_Na";;;;;;;1.64;;-2.35;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM396050;MM396050;C#CC#Cc1cn(C)cn1;AEARJSPNQBUMOA-UHFFFAOYSA-N;130.15;0.4;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP1_SNa";;;;;;;0.04;;-2.54;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM396051;MM396051;CC(C)C(C#CCN)CF;GXMDMIUZPPEIPA-UHFFFAOYSA-N;143.21;1.19;;;;;DOPC;MDCG;27;1;"MARTINI bead: C2_P2";;;;;;;1.72;;-0.81;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM396052;MM396052;C#CC#Cc1cn(N)cn1;NGCDOAXGMVSUEW-UHFFFAOYSA-N;131.14;-0.42;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP2_SNa";;;;;;;-0.24;;-3.24;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM396053;MM396053;CC(C)C(C#CCF)CF;PSJFJSDYDAAKTH-UHFFFAOYSA-N;146.18;2.2;;;;;DOPC;MDCG;27;0;"MARTINI bead: C2_Na";;;;;;;2.83;;0.35;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM396054;MM396054;C#CC#Cc1cn(O)cn1;IGPBYCIQNUTFDF-UHFFFAOYSA-N;132.12;0.11;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP2_SNa";;;;;;;-0.24;;-3.24;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM396055;MM396055;CCC(C#CCO)C(C)N;VLYXBZSONFDOJB-UHFFFAOYSA-N;141.21;0.36;;;;;DOPC;MDCG;27;1;"MARTINI bead: C5_P2";;;;;;;0.54;;-3.73;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM396056;MM396056;C#CC#Cc1cn(C)nn1;CZZMORRSNQGQLS-UHFFFAOYSA-N;131.14;-0.2;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP1_SNa";;;;;;;0.04;;-2.54;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM396057;MM396057;CCC#CC(CF)C(C)N;FBOCVNSIUOZRTL-UHFFFAOYSA-N;143.21;1.33;;;;;DOPC;MDCG;27;1;"MARTINI bead: C3_P1";;;;;;;1.74;;-1.93;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM396058;MM396058;C#CC#Cc1cn(N)nn1;OWJLWHJAHGWOJM-UHFFFAOYSA-N;132.13;-1.02;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP2_SNa";;;;;;;-0.24;;-3.24;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM396059;MM396059;CC(N)C(C#CCN)CF;PVGXXLVDRUOVIV-UHFFFAOYSA-N;144.19;-0.12;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nda_P2";;;;;;;-0.24;;-5.91;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM396060;MM396060;C#CC#Cc1ccn(C)n1;MEMZHHCIRHVHPM-UHFFFAOYSA-N;130.15;0.4;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNa_SC5";;;;;;;1.64;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM396061;MM396061;CC(N)C(C#CCO)CF;WFPJQVXKWCVWMG-UHFFFAOYSA-N;145.18;-0.09;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nda_P2";;;;;;;-0.24;;-5.87;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM396062;MM396062;C#CC#Cc1ccn(N)n1;BKVDMXMEQALHNL-UHFFFAOYSA-N;131.14;-0.42;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP1_SC5";;;;;;;0.81;;-0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM396063;MM396063;CC(N)C(C#CCF)CF;MRUBDHUBRLGSKD-UHFFFAOYSA-N;147.17;0.89;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nda_Na";;;;;;;0.87;;-4.57;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM396064;MM396064;C#CC#Cc1ccn(O)n1;LSUKSQVGJZEMFY-UHFFFAOYSA-N;132.12;0.11;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP1_SC5";;;;;;;0.81;;-0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM396065;MM396065;CCC(C#CCN)C(C)O;CLHUUJPPKLOMTO-UHFFFAOYSA-N;141.21;0.36;;;;;DOPC;MDCG;27;1;"MARTINI bead: C5_P2";;;;;;;0.54;;-2.57;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM396066;MM396066;C#CC#Cc1cnn(C)n1;HFWPZYYVRRSUED-UHFFFAOYSA-N;131.14;-0.2;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP1_SN0";;;;;;;0.34;;-1.53;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM396067;MM396067;CCC(C#CCO)C(C)O;MMWPJBVRKBLRSW-UHFFFAOYSA-N;142.2;0.39;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_P1";;;;;;;0.81;;-0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM396068;MM396068;C#CC#Cc1ncn(C)n1;IQYJQCCIFSFNDX-UHFFFAOYSA-N;131.14;-0.2;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP1_SNa";;;;;;;0.04;;-2.54;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM396069;MM396069;CC(O)C(C#CCF)CN;UACMKAUZHOJUOJ-UHFFFAOYSA-N;145.18;-0.09;;;;;DOPC;MDCG;27;1;"MARTINI bead: P2_Na";;;;;;;-0.24;;-5.28;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM396070;MM396070;C#CC#Cc1ncn(N)n1;USIFEUPLRMXHNO-UHFFFAOYSA-N;132.13;-1.02;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP3_SNa";;;;;;;-1.1;;-4.2;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM396071;MM396071;CC(O)C(C#CCN)CF;HJNLLYAFJGIRGT-UHFFFAOYSA-N;145.18;-0.09;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nda_P2";;;;;;;-0.24;;-4.79;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM396072;MM396072;C#CC#Cc1nnn(C)n1;WVWCTVXAKODPHS-UHFFFAOYSA-N;132.13;-0.81;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP2_SNa";;;;;;;-0.24;;-3.24;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM396073;MM396073;CC(O)C(C#CCO)CF;NYCKCPWZRDURDM-UHFFFAOYSA-N;146.16;-0.05;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda_P2";;;;;;;-0.24;;-3.31;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM396074;MM396074;C=C1C=CC(C#CCC)=C1;NRSDIVWSRAQQSB-UHFFFAOYSA-N;130.19;2.45;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC3_SC5";;;;;;;3.34;;0.48;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM396075;MM396075;CC(O)C(C#CCF)CF;AOHBFAJLMSUVPZ-UHFFFAOYSA-N;148.15;0.93;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda_Na";;;;;;;0.87;;-1.99;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM396076;MM396076;CCC#CC1=CC(=O)C=C1;UKYOURAEPGCXHU-UHFFFAOYSA-N;132.16;1.47;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC3_SNa";;;;;;;2.57;;0.45;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM396077;MM396077;CCC(C#CCN)C(C)F;KYEOCDHWDCSDRP-UHFFFAOYSA-N;143.21;1.33;;;;;DOPC;MDCG;27;1;"MARTINI bead: C5_C5";;;;;;;2.41;;0.53;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM396078;MM396078;CCC#CC1=CC(=N)N=C1;CVWMNPWDJBYJFK-UHFFFAOYSA-N;132.17;1.39;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC5_SNd";;;;;;;1.64;;0.03;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM396079;MM396079;CC(F)C(C#CCN)CN;MQSATCKMZMHIFI-UHFFFAOYSA-N;144.19;-0.12;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nda_P2";;;;;;;-0.24;;-5.7;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM396080;MM396080;C=CC#CC1=CC(=C)C=C1;XMYGJCDKYBLZRU-UHFFFAOYSA-N;128.17;2.23;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC4_SC5";;;;;;;2.97;;0.45;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM396081;MM396081;CC(F)C(C#CCO)CO;UZBHQPACDZKYKE-UHFFFAOYSA-N;146.16;-0.05;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda_P2";;;;;;;-0.24;;-3.31;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM396082;MM396082;C=C1C=CC(C#CC#N)=C1;GNEWFGBVLSGEHW-UHFFFAOYSA-N;127.15;1.57;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC5_SN0";;;;;;;1.94;;0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM396083;MM396083;CC(F)C(C#CCN)CF;YNCRWCJYGDHXFQ-UHFFFAOYSA-N;147.17;0.89;;;;;DOPC;MDCG;27;1;"MARTINI bead: C5_P2";;;;;;;0.54;;-2.56;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM396084;MM396084;C=CC#CC1=CC(=O)C=C1;KHBVNDHAFVOHJK-UHFFFAOYSA-N;130.15;1.24;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC4_SNa";;;;;;;2.2;;0.34;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM396085;MM396085;NCC(C#CCO)C(F)F;WIBZYSAMQZZBCR-UHFFFAOYSA-N;149.14;-0.18;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1_Nd";;;;;;;0.04;;-4.87;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM396086;MM396086;N#CC#CC1=CC(=O)C=C1;NILHXZFTOFZGHD-UHFFFAOYSA-N;129.12;0.58;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNa_SN0";;;;;;;1.17;;-1.18;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM396087;MM396087;NCC#CC(CF)C(F)F;ZTBSIYWHGBSYMQ-UHFFFAOYSA-N;151.13;0.8;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nda_N0";;;;;;;1.17;;-2.44;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM396088;MM396088;C=CC#CC1=CC(=N)N=C1;HLIVNFHZWAYIGH-UHFFFAOYSA-N;130.15;1.16;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC5_SNd";;;;;;;1.64;;0.03;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM396089;MM396089;CCC#CC(NC)C(C)C;ZRLVSTASZXWCLV-UHFFFAOYSA-N;139.24;1.64;;;;;DOPC;MDCG;27;1;"MARTINI bead: C5_Nd";;;;;;;1.64;;-1.98;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM396090;MM396090;N#CC#CC1=CC(=N)N=C1;QKQPNYADNAHSQR-UHFFFAOYSA-N;129.12;0.5;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNd_SN0";;;;;;;1.17;;-1.04;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM396091;MM396091;CNC(C#CCF)C(C)C;IXSSYIVASVYANL-UHFFFAOYSA-N;143.21;1.2;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_Na";;;;;;;0.87;;-3.89;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM396092;MM396092;C=CC#CC1=CC(=O)N=C1;OOKSPMDZGMBIMA-UHFFFAOYSA-N;131.13;0.71;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC5_SNa";;;;;;;1.64;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM396093;MM396093;CCC#CC(OC)C(C)N;SDJNDFUIMOGVOB-UHFFFAOYSA-N;141.21;0.76;;;;;DOPC;MDCG;27;1;"MARTINI bead: C4_P1";;;;;;;1.37;;-1.85;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM396094;MM396094;N#CC#CC1=CC(=O)N=C1;QTJZZGRCWYHZEE-UHFFFAOYSA-N;130.11;0.05;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNa_SN0";;;;;;;1.17;;-1.18;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM396095;MM396095;COC(C#CCN)C(C)N;FUIOLBTYXZOQTE-UHFFFAOYSA-N;142.2;-0.69;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1_P1";;;;;;;-0.79;;-5.15;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM396096;MM396096;C=CC#CC1=CC(=O)C=N1;WEASSYZKKIIDPQ-UHFFFAOYSA-N;131.13;0.71;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC5_SNa";;;;;;;1.64;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM396097;MM396097;COC(C#CCO)C(C)N;NOSYIVJZTMJMFG-UHFFFAOYSA-N;143.19;-0.66;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1_P1";;;;;;;-0.79;;-5.02;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM396098;MM396098;N#CC#CC1=CC(=O)C=N1;ZAWFLEWLJKRVDM-UHFFFAOYSA-N;130.11;0.05;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNa_SN0";;;;;;;1.17;;-1.18;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM396099;MM396099;CCC#CC(OC)C(C)O;MRWUGNOZOJDLJS-UHFFFAOYSA-N;142.2;0.8;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_P1";;;;;;;0.81;;-0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM396100;MM396100;C=CC#CC1=NC(=N)C=C1;LDEPRQCRYLPMTH-UHFFFAOYSA-N;130.15;1.16;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC5_SNd";;;;;;;1.64;;0.02;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM396101;MM396101;COC(C#CCN)C(C)O;IQIYTLDUJIYLEA-UHFFFAOYSA-N;143.19;-0.66;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1_P1";;;;;;;-0.79;;-4.53;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM396102;MM396102;N#CC#CC1=NC(=N)C=C1;CQIVFNUCYYKQOW-UHFFFAOYSA-N;129.12;0.5;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNd_SN0";;;;;;;1.17;;-1.04;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM396103;MM396103;COC(C#CCN)C(F)F;ASAXAJNYMCUNMV-UHFFFAOYSA-N;149.14;0.23;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1_N0";;;;;;;0.34;;-2.92;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM396104;MM396104;C=CC#CC1=NC(=O)C=C1;WOCBMNRIBOLBGI-UHFFFAOYSA-N;131.13;0.71;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC5_SNa";;;;;;;1.64;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM396105;MM396105;CCC(C#CCN)N(C)C;CDJXVGFWFBRCDY-UHFFFAOYSA-N;140.23;0.29;;;;;DOPC;MDCG;27;1;"MARTINI bead: C5_P2";;;;;;;0.54;;-2.8;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM396106;MM396106;N#CC#CC1=NC(=O)C=C1;SPODILCMROYZTO-UHFFFAOYSA-N;130.11;0.05;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNa_SN0";;;;;;;1.17;;-1.18;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM396107;MM396107;CCC(C#CCO)N(C)C;LDEWXKCEBOMNOW-UHFFFAOYSA-N;141.21;0.32;;;;;DOPC;MDCG;27;1;"MARTINI bead: C5_P2";;;;;;;0.54;;-2.13;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM396108;MM396108;C=CC#CC1=NC(=N)N=C1;SLCACZQVTOASOD-UHFFFAOYSA-N;131.14;0.64;;;;;DOPC;MDCG;27;0;"MARTINI bead: SN0_SP1";;;;;;;0.34;;-1.53;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM396109;MM396109;CCC#CC(CN)N(C)C;QTGVZUSHJAFBSY-UHFFFAOYSA-N;140.23;0.29;;;;;DOPC;MDCG;27;1;"MARTINI bead: C5_P2";;;;;;;0.54;;-2.71;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM396110;MM396110;N#CC#CC1=NC(=N)N=C1;FBWHTJKCEFCRDF-UHFFFAOYSA-N;130.11;-0.03;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP1_SP1";;;;;;;-0.79;;-3.13;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM396111;MM396111;C=CC#CC1=NC(=O)N=C1;GTFNKFWXOHXSEY-UHFFFAOYSA-N;132.12;0.82;;;;;DOPC;MDCG;27;0;"MARTINI bead: SN0_SP1";;;;;;;0.34;;-1.53;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM396112;MM396112;CN(C)C(C#CCF)CN;OCIIXJWHKLAWLT-UHFFFAOYSA-N;144.19;-0.15;;;;;DOPC;MDCG;27;1;"MARTINI bead: P2_Na";;;;;;;-0.24;;-4.82;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM396113;MM396113;CCC(C#CC#N)C(C)C;KNKMTGFMTSFEBH-UHFFFAOYSA-N;135.21;2.2;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1_N0";;;;;;;3.21;;0.46;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM396114;MM396114;N#CC#CC1=NC(=O)N=C1;PDPDANIMORXQQO-UHFFFAOYSA-N;131.09;0.16;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP1_SP1";;;;;;;-0.79;;-3.13;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM396115;MM396115;C=CC#CC(CN)C(C)C;YQBWLZIBHFRTMR-UHFFFAOYSA-N;137.23;1.41;;;;;DOPC;MDCG;27;1;"MARTINI bead: C3_Nd";;;;;;;2.57;;-1.14;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM396116;MM396116;C=CC#CC1=NC(=N)C=N1;ZGGBKPDFOCZVMO-UHFFFAOYSA-N;131.14;0.64;;;;;DOPC;MDCG;27;0;"MARTINI bead: SN0_SP1";;;;;;;0.34;;-1.53;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM396117;MM396117;CC(C)C(C#CC=O)CF;OMVXKFBKQDZFLR-UHFFFAOYSA-N;142.17;1.43;;;;;DOPC;MDCG;27;0;"MARTINI bead: C2_P1";;;;;;;2;;0.29;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM396118;MM396118;N#CC#CC1=NC(=N)C=N1;NDOHHWXJODMMPM-UHFFFAOYSA-N;130.11;-0.03;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP1_SP1";;;;;;;-0.79;;-3.13;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM396119;MM396119;CC(C)C(C#CC#N)CF;QNBYFXQGHSGNFU-UHFFFAOYSA-N;139.17;1.76;;;;;DOPC;MDCG;27;0;"MARTINI bead: C3_Na";;;;;;;2.57;;0.45;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM396120;MM396120;C=CC#CC1=NC(=O)C=N1;TXRHDPDJCSXIJN-UHFFFAOYSA-N;132.12;0.19;;;;;DOPC;MDCG;27;0;"MARTINI bead: SN0_SP1";;;;;;;0.34;;-1.53;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM396121;MM396121;C=CC#CC(CO)C(C)N;OKPAUAQPDMFBAU-UHFFFAOYSA-N;139.2;0.13;;;;;DOPC;MDCG;27;1;"MARTINI bead: P2_N0";;;;;;;0.06;;-4.48;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM396122;MM396122;N#CC#CC1=NC(=O)C=N1;HUXDYPNHSACNRS-UHFFFAOYSA-N;131.09;-0.48;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP1_SP1";;;;;;;-0.79;;-3.13;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM396123;MM396123;C=CC#CC(CF)C(C)N;MOKVBXZRDRFGLL-UHFFFAOYSA-N;141.19;1.11;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1_C4";;;;;;;1.37;;-2.51;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM396124;MM396124;C#CC#CC1=CC(=C)C=C1;AZHDKYILBPHSAN-UHFFFAOYSA-N;126.16;1.68;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC5_SC4";;;;;;;2.97;;0.45;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM396125;MM396125;C=CC#CC(CC)C(C)F;KIOJYWAARBCDHX-UHFFFAOYSA-N;140.2;2.56;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1_C5";;;;;;;3.68;;0.46;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM396126;MM396126;C#CC#CC1=CC(=O)C=C1;NDIQJAFGGVFVBD-UHFFFAOYSA-N;128.13;0.69;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNa_SC4";;;;;;;2.2;;0.34;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM396127;MM396127;CC(F)C(C#CC#N)CF;JRYNBFSVNSTMFQ-UHFFFAOYSA-N;143.14;1.46;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_Na";;;;;;;1.64;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM396128;MM396128;C#CC#CC1=CC(=N)N=C1;RMUMMZPQDDXRHI-UHFFFAOYSA-N;128.13;0.61;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNd_SC5";;;;;;;1.64;;0.02;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM396129;MM396129;O=CC#CC(CO)C(F)F;YEOYWFMVMVXHNK-UHFFFAOYSA-N;148.11;0.06;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_N0";;;;;;;0.34;;-1.53;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM396130;MM396130;C#CC#CC1=CC(=O)N=C1;DXGFXDUFACXEBN-UHFFFAOYSA-N;129.12;0.16;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNa_SC5";;;;;;;1.64;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM396131;MM396131;N#CC#CC(CO)C(F)F;YBTJVAAYQHXGHG-UHFFFAOYSA-N;145.11;0.39;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_N0";;;;;;;0.34;;-1.53;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM396132;MM396132;C#CC#CC1=CC(=O)C=N1;AGRRDIHTTAHIOI-UHFFFAOYSA-N;129.12;0.16;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNa_SC5";;;;;;;1.64;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM396133;MM396133;C=CC#CC(NC)C(C)C;YQJCAVBCANMYFO-UHFFFAOYSA-N;137.23;1.42;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_N0";;;;;;;1.17;;-3.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM396134;MM396134;C#CC#CC1=NC(=N)C=C1;SXCMPZCDFCWNEC-UHFFFAOYSA-N;128.13;0.61;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNd_SC5";;;;;;;1.64;;0.02;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM396135;MM396135;C=CC#CC(NC)C(C)O;NLIIQWVEHLWIOX-UHFFFAOYSA-N;139.2;0.14;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_P1";;;;;;;0.04;;-3.91;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM396136;MM396136;C#CC#CC1=NC(=O)C=C1;PGBMSBFEJUPLCJ-UHFFFAOYSA-N;129.12;0.16;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNa_SC5";;;;;;;1.64;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM396137;MM396137;CC(=O)C1CC(C#N)N1;YEWLCDSHSVRXNC-UHFFFAOYSA-N;124.14;-0.17;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP1_SP2";;;;;;;-1.06;;-3.82;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM396138;MM396138;C#CC#CC1=NC(=N)N=C1;QLDKKHAKOALOOO-UHFFFAOYSA-N;129.12;0.08;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP1_SN0";;;;;;;0.34;;-1.53;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM396139;MM396139;COC(C#CC#N)C(C)C;HCYRYBXVYATMQB-UHFFFAOYSA-N;137.18;1.18;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_N0";;;;;;;1.94;;0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM396140;MM396140;C#CC#CC1=NC(=O)N=C1;HIYFEKJQSTYNDH-UHFFFAOYSA-N;130.11;0.27;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP1_SN0";;;;;;;0.34;;-1.53;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM396141;MM396141;C=CC#CC(OC)C(C)O;VSNJOCKVRFCMST-UHFFFAOYSA-N;140.18;0.57;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_P1";;;;;;;0.81;;-0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM396142;MM396142;C#CC#CC1=NC(=N)C=N1;ZGXZKISDMUJFGU-UHFFFAOYSA-N;129.12;0.08;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP1_SN0";;;;;;;0.34;;-1.53;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM396143;MM396143;COC(C#CC=O)C(C)O;GEVASBHASDMELW-UHFFFAOYSA-N;142.15;-0.42;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_P1";;;;;;;0.04;;-2.54;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM396144;MM396144;C#CC#CC1=NC(=O)C=N1;PXNJGUPABDYHNJ-UHFFFAOYSA-N;130.11;-0.37;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP1_SN0";;;;;;;0.34;;-1.53;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM396145;MM396145;COC(C#CC#N)C(C)O;VRBMDZDBAFGEIF-UHFFFAOYSA-N;139.15;-0.09;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_N0";;;;;;;0.34;;-1.53;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM396146;MM396146;CCC#CC1=CC(C)=CC1;WTPNCBIQQOOAIL-UHFFFAOYSA-N;132.21;2.68;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC3_SC5";;;;;;;3.34;;0.48;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM396147;MM396147;C#CC#CC(CN)C(C)C;IKXSWPMYCKYHFV-UHFFFAOYSA-N;135.21;0.85;;;;;DOPC;MDCG;27;1;"MARTINI bead: C3_Nd";;;;;;;2.57;;-1.08;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM396148;MM396148;C=CC#CC1=CC(C)=CC1;FLIJMMXGYLMOBL-UHFFFAOYSA-N;130.19;2.45;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC5_SC4";;;;;;;2.97;;0.45;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM396149;MM396149;Nc1noc(=O)c(=O)o1;BXRQSTMLUNTIQN-UHFFFAOYSA-N;130.06;-1.43;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP3_SP2";;;;;;;-2.2;;-5.19;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM396150;MM396150;CC1=CCC(C#CC#N)=C1;IQKSEKTYFZTEFP-UHFFFAOYSA-N;129.16;1.79;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC5_SN0";;;;;;;1.94;;0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM396151;MM396151;C#CC#CC(CF)C(C)C;MGADQTGKBFCTEB-UHFFFAOYSA-N;138.19;1.86;;;;;DOPC;MDCG;27;0;"MARTINI bead: C3_C4";;;;;;;3.9;;0.47;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM396152;MM396152;C=CC#CC1=CC(F)=CC1;YTNWMPDGXPZGEX-UHFFFAOYSA-N;134.15;2.36;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC5_SC4";;;;;;;2.97;;0.45;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM396153;MM396153;C#CC#CC(CN)C(C)N;UYWJADDEJIJBIM-UHFFFAOYSA-N;136.2;-0.45;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1_Nd";;;;;;;0.04;;-5.08;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM396154;MM396154;N#CC#CC1=CC(F)=CC1;IBNMEJDPVNCYDE-UHFFFAOYSA-N;133.13;1.7;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC5_SN0";;;;;;;1.94;;0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM396155;MM396155;C#CC#CC(NC)C(C)C;BVXNQDDTSHTNFV-UHFFFAOYSA-N;135.21;0.87;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_N0";;;;;;;1.17;;-2.81;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM396156;MM396156;C=CC#Cc1cc(C)c[nH]1;UEVRTYSHBHEIRE-UHFFFAOYSA-N;131.18;1.86;;;;;DOPC;MDCG;27;0;"MARTINI bead: SN0_SC4";;;;;;;2.5;;0.44;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM396157;MM396157;C#CC#CC(OC)C(C)N;LECUDYYADFFXFK-UHFFFAOYSA-N;137.18;-0.01;;;;;DOPC;MDCG;27;1;"MARTINI bead: C5_P1";;;;;;;0.81;;-2.31;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM396158;MM396158;Cc1c[nH]c(C#CC#N)c1;JXWMTNNWZUIPOX-UHFFFAOYSA-N;130.15;1.2;;;;;DOPC;MDCG;27;0;"MARTINI bead: SN0_SC5";;;;;;;1.94;;0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM396159;MM396159;C#CC#CC(OC)C(C)O;LBVOGGOSPYYURJ-UHFFFAOYSA-N;138.17;0.02;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_P1";;;;;;;0.81;;-0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM396160;MM396160;CC#CC=NN(C)C=NN;FLYWTCCKHNEJDS-UHFFFAOYSA-N;138.17;-0.17;;;;;DOPC;MDCG;27;0;"MARTINI bead: N0_P1";;;;;;;0.34;;-1.53;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM396161;MM396161;C=CC(C#CCN)C(C)C;VWFHWRQQVMQRCO-UHFFFAOYSA-N;137.23;1.41;;;;;DOPC;MDCG;27;1;"MARTINI bead: C3_Nd";;;;;;;2.57;;-0.25;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM396162;MM396162;C=C(OCC)N(N)C=NN;SVZOMPJSEPCGEH-UHFFFAOYSA-N;144.18;-0.43;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda_P1";;;;;;;0.04;;-2.73;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM396163;MM396163;C=CC(C#CCO)C(C)C;KUPGAYZWPQRAIE-UHFFFAOYSA-N;138.21;1.44;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1_P2";;;;;;;1.8;;0.4;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM396164;MM396164;C=CC#Cc1cc(F)c[nH]1;MLLYJILITFCDDV-UHFFFAOYSA-N;135.14;1.69;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNa_SC4";;;;;;;2.2;;0.34;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM396165;MM396165;C=CC(C#CCF)C(C)C;CGGBWYUJAWMJAO-UHFFFAOYSA-N;140.2;2.42;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1_Na";;;;;;;2.91;;0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM396166;MM396166;N#CC#Cc1cc(F)c[nH]1;OCBNTIFXRBNPLA-UHFFFAOYSA-N;134.11;1.03;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNa_SC5";;;;;;;1.64;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM396167;MM396167;CC(C)C(C#CCO)C=O;VCHZMTVUQXWLIF-UHFFFAOYSA-N;140.18;0.45;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_P2";;;;;;;0.54;;-1.09;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM396168;MM396168;C=CC#Cc1cc(C)co1;WVVCQLWKWHSQBB-UHFFFAOYSA-N;132.16;2.13;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC5_SC4";;;;;;;2.97;;0.45;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM396169;MM396169;CC(C)C(C#CCF)C=O;VXWFQRINXQHQSB-UHFFFAOYSA-N;142.17;1.43;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_Na";;;;;;;1.64;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM396170;MM396170;Cc1coc(C#CC#N)c1;PVDSQQVFQIRAEL-UHFFFAOYSA-N;131.13;1.46;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC5_SN0";;;;;;;1.94;;0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM396171;MM396171;C=CC(C#CCO)C(C)N;NEFXDERDLFOCPN-UHFFFAOYSA-N;139.2;0.13;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_P2";;;;;;;-0.24;;-5.76;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM396172;MM396172;N#CC#Cc1cc(N)co1;YKXUYODCPZEZBB-UHFFFAOYSA-N;132.12;0.74;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNd_SN0";;;;;;;1.17;;-1.04;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM396173;MM396173;C=CC(C#CCO)C(C)O;RRRZPTGVACMCCI-UHFFFAOYSA-N;140.18;0.17;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_P2";;;;;;;0.54;;-1.09;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM396174;MM396174;N#CC#Cc1cc(F)co1;RUDOQEHKLARGCT-UHFFFAOYSA-N;135.1;1.29;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNa_SN0";;;;;;;1.17;;-1.18;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM396175;MM396175;C=CC(C#CCN)C(C)F;IMNIWWSJKCGIKM-UHFFFAOYSA-N;141.19;1.11;;;;;DOPC;MDCG;27;1;"MARTINI bead: C3_P2";;;;;;;1.46;;-1.5;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM396176;MM396176;Cc1cc(C#CC#N)on1;PICIKLRFVJOLGE-UHFFFAOYSA-N;132.12;0.86;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNa_SN0";;;;;;;1.17;;-1.18;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM396177;MM396177;C=CC(C#CCO)C(C)F;DZDDARAWKNRLSD-UHFFFAOYSA-N;142.17;1.14;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_Nda";;;;;;;1.64;;0.05;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM396178;MM396178;N#CC#Cc1cc(F)no1;PSYKEUOAEDJVKN-UHFFFAOYSA-N;136.09;0.69;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNa_SN0";;;;;;;1.17;;-1.18;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM396179;MM396179;CC(F)C(C#N)C#CCO;WKVNICAPQZTTKX-UHFFFAOYSA-N;141.15;0.48;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_P1";;;;;;;0.81;;-0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM396180;MM396180;Cc1coc(C#CC#N)n1;XTQZGLYBMQKCKM-UHFFFAOYSA-N;132.12;0.86;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNa_SN0";;;;;;;1.17;;-1.18;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM396181;MM396181;C=CC(C#CCN)C(F)F;ABZUUJQLVSDIJY-UHFFFAOYSA-N;145.15;1.02;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_N0";;;;;;;1.17;;-2.51;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM396182;MM396182;C=NOC(=N)N(N)C=NN;VICXOXIDFGZDEM-UHFFFAOYSA-N;144.14;-1.37;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_P2";;;;;;;-1.06;;-3.82;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM396183;MM396183;O=CC(C#CCO)C(F)F;OFDBBOBFIUJRAY-UHFFFAOYSA-N;148.11;0.06;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_N0";;;;;;;0.34;;-1.53;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM396184;MM396184;N#CC#Cc1nc(F)co1;OCYZZEIAFXGBKT-UHFFFAOYSA-N;136.09;0.69;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNa_SN0";;;;;;;1.17;;-1.18;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM396185;MM396185;N#CC(C#CCO)C(F)F;SICCWSWMYFLGCV-UHFFFAOYSA-N;145.11;0.39;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_N0";;;;;;;0.34;;-1.53;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM396186;MM396186;Cc1noc(C#CC#N)n1;BDMDWCSYJYAHLO-UHFFFAOYSA-N;133.11;0.25;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNa_SNa";;;;;;;0.87;;-2.22;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM396187;MM396187;N#CC(C#CCF)C(F)F;XQWKUVFEQDBTFT-UHFFFAOYSA-N;147.1;1.36;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_N0";;;;;;;1.17;;-1.18;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM396188;MM396188;N#CC#Cc1nc(N)no1;GUCLQDQKZXUILU-UHFFFAOYSA-N;134.1;-0.47;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP1_SNa";;;;;;;0.04;;-2.54;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM396189;MM396189;C=CC(C#CC=O)C(C)C;YHFPAKKONYVIKW-UHFFFAOYSA-N;136.19;1.65;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1_P1";;;;;;;2.08;;0.48;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM396190;MM396190;C#CC(=CC(=O)O)NC=O;GRERCGCPPGRMFY-UHFFFAOYSA-N;139.11;-0.67;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda_P2";;;;;;;-0.24;;-7.79;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM396191;MM396191;C=CC#CC(C=O)C(C)C;YCFOPGFASVHILF-UHFFFAOYSA-N;136.19;1.65;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_N0";;;;;;;1.94;;0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM396192;MM396192;C#CC#CC1=CC(C)=CC1;HKXAPHHJQXNNOP-UHFFFAOYSA-N;128.17;1.9;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC5_SC4";;;;;;;2.97;;0.45;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM396193;MM396193;CC(O)C(C#CC#N)C=O;AFJIIVKHCBYVOP-UHFFFAOYSA-N;137.14;-0.29;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_N0";;;;;;;0.34;;-1.53;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM396194;MM396194;C#CC#CC1=CC(F)=CC1;ALVCFGJPMLEOID-UHFFFAOYSA-N;132.14;1.81;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC5_SC4";;;;;;;2.97;;0.45;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM396195;MM396195;C=CC(C#CC=O)C(C)F;CCJXDOPHFGXLSH-UHFFFAOYSA-N;140.16;1.35;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_C5";;;;;;;2.41;;0.64;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM396196;MM396196;C#CC#Cc1cc(C)c[nH]1;ZVPVCAXPJHHLBZ-UHFFFAOYSA-N;129.16;1.31;;;;;DOPC;MDCG;27;0;"MARTINI bead: SN0_SC4";;;;;;;2.5;;0.44;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM396197;MM396197;C=CC(C#CC#N)C(C)F;BAVVFMZBDVHWKA-UHFFFAOYSA-N;137.16;1.67;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_N0";;;;;;;1.94;;0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM396198;MM396198;CON=C(C)N(N)C=NN;IORSNUIQBAXHHZ-UHFFFAOYSA-N;145.17;-0.96;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_P1";;;;;;;-0.79;;-3.13;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM396199;MM396199;N#CC(C#CC=O)C(F)F;NWBZMEBWGVSPLA-UHFFFAOYSA-N;143.09;0.59;;;;;DOPC;MDCG;27;0;"MARTINI bead: N0_Na";;;;;;;1.17;;-1.18;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM396200;MM396200;C#CC#Cc1cc(F)c[nH]1;KNNGSCHBRBSIGK-UHFFFAOYSA-N;133.13;1.14;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNa_SC4";;;;;;;2.2;;0.34;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM396201;MM396201;C=CC(C#CC#N)N(C)C;XRZTVWOAAVBIET-UHFFFAOYSA-N;134.18;0.63;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_N0";;;;;;;0.34;;-1.53;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM396202;MM396202;C#CC#Cc1cc(C)co1;QMRNRYQUAZFFDT-UHFFFAOYSA-N;130.15;1.57;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC5_SC5";;;;;;;2.41;;0.64;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM396203;MM396203;C=NN=C1C=CC(=O)C1;FEKCDOUBYOYAJA-UHFFFAOYSA-N;122.13;0.57;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC5_SNa";;;;;;;1.64;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM396204;MM396204;C#CC#Cc1cc(N)co1;JINPJCUBIZZVPN-UHFFFAOYSA-N;131.13;0.85;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNd_SC5";;;;;;;1.64;;0.02;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM396205;MM396205;C=CC1=CNC(=N)C1=O;OVHCDCZDQCULRB-UHFFFAOYSA-N;122.13;0.21;;;;;DOPC;MDCG;27;0;"MARTINI bead: SN0_SP2";;;;;;;0.06;;-2.21;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM396206;MM396206;C#CC#Cc1cc(F)co1;QHVJDUYMJJLLLN-UHFFFAOYSA-N;134.11;1.4;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNa_SC5";;;;;;;1.64;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM396207;MM396207;C#CC#CC(C=O)C(C)C;WIPROEYHWKPPRC-UHFFFAOYSA-N;134.18;1.09;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_N0";;;;;;;1.94;;0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM396208;MM396208;C#CC#Cc1cc(C)no1;VJXXVUKKHFMBOG-UHFFFAOYSA-N;131.13;0.97;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNa_SN0";;;;;;;1.17;;-1.18;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM396209;MM396209;C#CC#CC(C#N)C(C)O;HTPWPANAYRJDSW-UHFFFAOYSA-N;133.15;0.14;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_C5";;;;;;;0.81;;-0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM396210;MM396210;C#CC#Cc1cc(F)no1;JKQKLTBXBIOFDC-UHFFFAOYSA-N;135.1;0.8;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNa_SN0";;;;;;;1.17;;-1.18;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM396211;MM396211;C#CC#CC(C=C)C(C)F;SMCMYJJMVBQENC-UHFFFAOYSA-N;136.17;1.78;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_C3";;;;;;;3.34;;0.48;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM396212;MM396212;C#CC#Cc1nc(C)co1;HZFSGTFJAVFNTB-UHFFFAOYSA-N;131.13;0.97;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNa_SN0";;;;;;;1.17;;-1.18;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM396213;MM396213;C#CC#CC(C=O)C(C)F;YLCTXZUPWPAWRM-UHFFFAOYSA-N;138.14;0.8;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_N0";;;;;;;1.17;;-1.18;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM396214;MM396214;CC(=NC=N)N(N)C=NN;BNEWUTZGAPYGRH-UHFFFAOYSA-N;142.17;-0.91;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_P1";;;;;;;-1.06;;-3.82;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM396215;MM396215;C#Cc1n[nH]c(C)c1N;RWLDXBFWLJZWFP-UHFFFAOYSA-N;121.14;0.28;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNd_SNda";;;;;;;0.87;;-1.92;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM396216;MM396216;C#CC#Cc1nc(F)co1;JUFMIIFXJXUYPR-UHFFFAOYSA-N;135.1;0.8;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNa_SN0";;;;;;;1.17;;-1.18;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM396217;MM396217;C#CC(C#CCO)C(C)C;FKXDFCPMOWOMNA-UHFFFAOYSA-N;136.19;0.89;;;;;DOPC;MDCG;27;0;"MARTINI bead: C3_P2";;;;;;;1.46;;-0.15;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM396218;MM396218;C#CC#Cc1nc(C)no1;DOPCJDGAPKIPQQ-UHFFFAOYSA-N;132.12;0.36;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNa_SNa";;;;;;;0.87;;-2.22;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM396219;MM396219;C#CC(C#CCO)C(C)O;NHSDGKGWEBSTJB-UHFFFAOYSA-N;138.17;-0.39;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_Nda";;;;;;;0.04;;-2.73;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM396220;MM396220;C#CC#Cc1nc(N)no1;XBIRTIUHUVEDBX-UHFFFAOYSA-N;133.11;-0.36;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP1_SNa";;;;;;;0.04;;-2.54;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM396221;MM396221;C#CC(C#CC#N)C(C)C;NGRQBCDNABKVBD-UHFFFAOYSA-N;131.18;1.42;;;;;DOPC;MDCG;27;0;"MARTINI bead: C3_C5";;;;;;;3.34;;0.48;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM396222;MM396222;C#CC(C#CC#N)C(C)O;JCKIAGZUZXZHCD-UHFFFAOYSA-N;133.15;0.14;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_C5";;;;;;;0.81;;-0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM396223;MM396223;CC(C=O)=C(N)C(=O)O;LJILDXSLYCUDGZ-UHFFFAOYSA-N;129.12;-0.5;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_Nda";;;;;;;-0.24;;-7.79;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM396224;MM396224;C#CC(C#CC#N)C(C)F;PZUKXKSKFUOQBO-UHFFFAOYSA-N;135.14;1.12;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_C5";;;;;;;2.41;;0.64;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM396225;MM396225;CC=CCCC(C)C(C)O;VHGMJWRFFGJBGG-UHFFFAOYSA-N;142.24;2.36;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1_Nda";;;;;;;2.91;;0.57;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM396226;MM396226;C#CC(C#CC#N)N(C)C;IDQGDQJNICLPLW-UHFFFAOYSA-N;132.17;0.08;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_C5";;;;;;;0.81;;-0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM396227;MM396227;CC(C)ON=c1occo1;UKGJXLUKPQMXSN-UHFFFAOYSA-N;143.14;1.11;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_SP2";;;;;;;-0.24;;-3.24;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM396228;MM396228;CC(O)C(C)CCC=NN;PSKWOHMLZDBGLE-UHFFFAOYSA-N;144.22;0.73;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda_Nd";;;;;;;0.87;;-1.92;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM396229;MM396229;C=C(C)C(C#CCN)CC;MEQFNWHULLQTQY-UHFFFAOYSA-N;137.23;1.55;;;;;DOPC;MDCG;27;1;"MARTINI bead: C5_C4";;;;;;;2.97;;0.73;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM396230;MM396230;C=C(C)C(C#CCF)CN;FYTNJFHWLUYNKY-UHFFFAOYSA-N;141.19;1.11;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_Na";;;;;;;0.87;;-4.26;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM396231;MM396231;CC(C)ON=c1ocno1;ZUYWTEXVBPDPBZ-UHFFFAOYSA-N;144.13;0.51;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_SP2";;;;;;;-0.24;;-3.24;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM396232;MM396232;C=C(C)C(C#CCN)CF;KDZGMQRDEXYZNG-UHFFFAOYSA-N;141.19;1.11;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_Na";;;;;;;0.87;;-3.36;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM396233;MM396233;CC(C)NN=c1onno1;HVUKAIZFICVJNF-UHFFFAOYSA-N;144.13;-0.52;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nd_SP1";;;;;;;0.04;;-2.63;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM396234;MM396234;C=C(C)C(C#CCO)CF;RWWULLAHZGDNQQ-UHFFFAOYSA-N;142.17;1.14;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4_P2";;;;;;;1.09;;-0.38;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM396235;MM396235;CC(C)ON=c1onno1;YJVBJOAIWLLLHU-UHFFFAOYSA-N;145.12;-0.1;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_SP1";;;;;;;0.04;;-2.54;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM396236;MM396236;CC(=O)C(C#CCF)CO;KTMRHUKFCHZEGU-UHFFFAOYSA-N;144.15;0.16;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_Na";;;;;;;-0.24;;-3.24;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM396237;MM396237;CC(=O)NN=c1occo1;PODJVBPVQCGSND-UHFFFAOYSA-N;142.11;-0.18;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_SP2";;;;;;;-1.34;;-4.31;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM396238;MM396238;CCC(C#CCN)C(=N)N;NUOUSZMLLGUWPQ-UHFFFAOYSA-N;139.2;-0.09;;;;;DOPC;MDCG;27;1;"MARTINI bead: C5_P3";;;;;;;-0.33;;-5.51;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM396239;MM396239;N=C(N)NN=c1occo1;PLPPIKNCVJJGKB-UHFFFAOYSA-N;142.12;-0.83;;;;;DOPC;MDCG;27;1;"MARTINI bead: P4_SP2";;;;;;;-2.29;;-7;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM396240;MM396240;CCC(C#CCO)C(=N)N;GAOMBSHVJARDFF-UHFFFAOYSA-N;140.19;-0.06;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_P2";;;;;;;-0.24;;-6.76;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM396241;MM396241;NC(=O)NN=c1occo1;GIKVJTCVUNLCDY-UHFFFAOYSA-N;143.1;-0.64;;;;;DOPC;MDCG;27;0;"MARTINI bead: P4_SP2";;;;;;;-2.29;;-5.95;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM396242;MM396242;CCC#CC(CN)C(=N)N;OWTUCPBIJZYMKC-UHFFFAOYSA-N;139.2;-0.09;;;;;DOPC;MDCG;27;1;"MARTINI bead: C5_P3";;;;;;;-0.33;;-5.27;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM396243;MM396243;CC(=O)ON=c1occo1;LFZUNAKYYDKKKL-UHFFFAOYSA-N;143.1;0.25;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_SP2";;;;;;;-1.06;;-3.82;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM396244;MM396244;CCC#CC(CO)C(=N)N;JAISOEGDZSNJLG-UHFFFAOYSA-N;140.19;-0.06;;;;;DOPC;MDCG;27;1;"MARTINI bead: C5_P3";;;;;;;-0.33;;-5.05;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM396245;MM396245;NC(=O)ON=c1occo1;PZHMAOZYUXWUKU-UHFFFAOYSA-N;144.09;-0.22;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_SP2";;;;;;;-1.34;;-4.31;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM396246;MM396246;N=C(N)C(C#CCN)CO;YEZCWAGVKJBONP-UHFFFAOYSA-N;141.17;-1.51;;;;;DOPC;MDCG;27;1;"MARTINI bead: P2_P3";;;;;;;-2.2;;-8.2;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM396247;MM396247;CC(=O)NN=c1ocno1;XVTGWGOSBVCITR-UHFFFAOYSA-N;143.1;-0.78;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_SP2";;;;;;;-1.34;;-4.31;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM396248;MM396248;N=C(N)C(C#CCO)CO;FTSYYBFTCJKEOB-UHFFFAOYSA-N;142.16;-1.47;;;;;DOPC;MDCG;27;1;"MARTINI bead: P3_P2";;;;;;;-2.2;;-8.18;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM396249;MM396249;NC(=O)NN=c1ocno1;YIBXFMJAZVAIEO-UHFFFAOYSA-N;144.09;-1.25;;;;;DOPC;MDCG;27;0;"MARTINI bead: P4_SP2";;;;;;;-2.29;;-5.95;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM396250;MM396250;CCC(C#CCN)C(N)=O;BRZAONKEOVUGIS-UHFFFAOYSA-N;140.19;-0.54;;;;;DOPC;MDCG;27;1;"MARTINI bead: C5_P3";;;;;;;-0.33;;-3.17;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM396251;MM396251;CC(=O)ON=c1ocno1;JMCAHTQDWBBSPF-UHFFFAOYSA-N;144.09;-0.35;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_SP2";;;;;;;-1.06;;-3.82;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM396252;MM396252;CCC#CC(CN)C(N)=O;RRFDDLWYQZQEFH-UHFFFAOYSA-N;140.19;-0.54;;;;;DOPC;MDCG;27;1;"MARTINI bead: C5_P3";;;;;;;-0.33;;-3.36;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM396253;MM396253;NC(=O)ON=c1ocno1;PNYSOVQFQAWIOS-UHFFFAOYSA-N;145.07;-0.82;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_SP2";;;;;;;-1.34;;-4.31;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM396254;MM396254;NC(=O)C(C#CCO)CO;ALPTZUKKDVOIRO-UHFFFAOYSA-N;143.14;-1.92;;;;;DOPC;MDCG;27;0;"MARTINI bead: P3_P2";;;;;;;-2.2;;-5.19;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM396255;MM396255;CC(=O)NN=c1onno1;BHYXOZMNYBALGO-UHFFFAOYSA-N;144.09;-1.39;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_SP1";;;;;;;-1.06;;-3.82;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM396256;MM396256;NC(=O)C(C#CCF)CO;CTGSEOWQRDLLIX-UHFFFAOYSA-N;145.13;-0.95;;;;;DOPC;MDCG;27;0;"MARTINI bead: P3_Nda";;;;;;;-1.1;;-3.97;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM396257;MM396257;NC(=O)NN=c1onno1;SQJBCFCWQTUIIP-UHFFFAOYSA-N;145.08;-1.85;;;;;DOPC;MDCG;27;0;"MARTINI bead: P4_SP1";;;;;;;-2.01;;-5.13;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM396258;MM396258;CCC#CC(CF)C(N)=O;PDLKPZBXPLTLOD-UHFFFAOYSA-N;143.16;0.47;;;;;DOPC;MDCG;27;0;"MARTINI bead: C3_P3";;;;;;;0.6;;-0.8;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM396259;MM396259;CC(=O)ON=c1onno1;PAXADWNZSDOXPP-UHFFFAOYSA-N;145.07;-0.96;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_SP1";;;;;;;-0.79;;-3.13;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM396260;MM396260;C=C(F)C(C#CCO)CN;TVCKWDVIGDSQKM-UHFFFAOYSA-N;143.16;0.04;;;;;DOPC;MDCG;27;1;"MARTINI bead: P2_Nda";;;;;;;-0.24;;-5.6;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM396261;MM396261;NC(=O)ON=c1onno1;QGJWDLQYQSEIHI-UHFFFAOYSA-N;146.06;-1.43;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_SP1";;;;;;;-1.06;;-3.82;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM396262;MM396262;C=C(F)C(C#CCN)CF;AGNUGKODJXYHOV-UHFFFAOYSA-N;145.15;1.02;;;;;DOPC;MDCG;27;1;"MARTINI bead: P2_C5";;;;;;;0.54;;-2.55;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM396263;MM396263;CC(C)=NN=c1occo1;XOWIRNVBEVMBJH-UHFFFAOYSA-N;140.14;1.17;;;;;DOPC;MDCG;27;0;"MARTINI bead: N0_SP2";;;;;;;0.06;;-2.21;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM396264;MM396264;C=C(C)C(C#CCC)NC;VTZZKFCBOCSGRP-UHFFFAOYSA-N;137.23;1.56;;;;;DOPC;MDCG;27;1;"MARTINI bead: C5_Nd";;;;;;;1.64;;-1.15;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM396265;MM396265;CC(C)=NN=c1ocno1;ROYKQGNZBAGIPM-UHFFFAOYSA-N;141.13;0.56;;;;;DOPC;MDCG;27;0;"MARTINI bead: N0_SP2";;;;;;;0.06;;-2.21;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM396266;MM396266;C=C(C)C(C#CCF)NC;NRIGJMMFSSFWFE-UHFFFAOYSA-N;141.19;1.12;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_Na";;;;;;;0.87;;-3.05;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM396267;MM396267;CC(C)=NN=c1onno1;ITQBYRDJXIHCLI-UHFFFAOYSA-N;142.12;-0.04;;;;;DOPC;MDCG;27;0;"MARTINI bead: N0_SP1";;;;;;;0.34;;-1.53;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM396268;MM396268;CCC#CC(OC)C(=N)N;BBANCPSEGPCHGB-UHFFFAOYSA-N;140.19;0.35;;;;;DOPC;MDCG;27;1;"MARTINI bead: C4_P3";;;;;;;0.23;;-3.26;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM396269;MM396269;CC(C)C(C)C1C(C)C1C;PAFPDEGTFLUNMW-UHFFFAOYSA-N;140.27;3.18;;;;;DOPC;MDCG;27;0;"MARTINI bead: C3_SC4";;;;;;;3.9;;0.47;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM396270;MM396270;COC(C#CCN)C(=N)N;XPERRMNDUBKLGR-UHFFFAOYSA-N;141.17;-1.1;;;;;DOPC;MDCG;27;1;"MARTINI bead: P2_P2";;;;;;;-1.34;;-6.57;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM396271;MM396271;N=C(N)C(=O)ONC=NN;AINCLFYJPAJPRF-UHFFFAOYSA-N;145.12;-2.13;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_P3";;;;;;;-1.93;;-4.72;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM396272;MM396272;COC(C#CCO)C(=N)N;BJVYCWVUWIFHOQ-UHFFFAOYSA-N;142.16;-1.07;;;;;DOPC;MDCG;27;1;"MARTINI bead: P2_P2";;;;;;;-1.34;;-6.53;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM396273;MM396273;CC(C)C(N)C1C(C)C1C;BUHYIKCOJLPWFQ-UHFFFAOYSA-N;141.26;1.87;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_SC5";;;;;;;1.64;;-3.02;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM396274;MM396274;CCC#CC(OC)C(N)=O;DORZIXKKWAXUTJ-UHFFFAOYSA-N;141.17;-0.1;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_P2";;;;;;;0.54;;-1.09;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM396275;MM396275;CC(F)C(N)C1C(C)C1C;UZFFNBDGBMDLAI-UHFFFAOYSA-N;145.22;1.57;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1_SC5";;;;;;;0.81;;-2.35;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM396276;MM396276;COC(C#CCO)C(N)=O;XBWPPXDWDVXFTD-UHFFFAOYSA-N;143.14;-1.52;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_P2";;;;;;;-1.34;;-4.31;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM396277;MM396277;CC(C)C(C)C1C(C)C1N;ZOKGXHZAKHLHIW-UHFFFAOYSA-N;141.26;1.87;;;;;DOPC;MDCG;27;1;"MARTINI bead: C1_SNd";;;;;;;2.91;;-0.43;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM396278;MM396278;COC(C#CCF)C(N)=O;KYUPPSXWSMHUOB-UHFFFAOYSA-N;145.13;-0.54;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_Na";;;;;;;-0.24;;-3.24;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM396279;MM396279;CC(O)C(C)C1C(C)C1N;DWFQPWJRKHPKKV-UHFFFAOYSA-N;143.23;0.6;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1_SNd";;;;;;;0.04;;-4.99;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM396280;MM396280;Oc1o[nH]c2c(F)cnc1-2;AWHVBACLNXGDCP-UHFFFAOYSA-N;142.09;0.95;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNda_SNda";;;;;;;0.87;;-6.18;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM396281;MM396281;CC(C)C(N)C1C(C)C1N;XINSCFXAVLWPER-UHFFFAOYSA-N;142.25;0.56;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_SNd";;;;;;;0.87;;-5.04;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM396282;MM396282;C=CC#CC(CN)C(=C)C;QZTKNSXSHUNGGD-UHFFFAOYSA-N;135.21;1.33;;;;;DOPC;MDCG;27;1;"MARTINI bead: C4_Nd";;;;;;;2.2;;-1.79;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM396283;MM396283;CCNN=CC(=O)C(C)C;CXQQICUDEKXIJZ-UHFFFAOYSA-N;142.2;0.81;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nd_Na";;;;;;;0.87;;-1.88;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM396284;MM396284;C=C(C)C(C#CC#N)CF;PAWUOHUYWXMZSN-UHFFFAOYSA-N;137.16;1.68;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_Na";;;;;;;1.64;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM396285;MM396285;CC(C)C(N)C1C(C)C1O;IQNRSZWJJNFOQV-UHFFFAOYSA-N;143.23;0.6;;;;;DOPC;MDCG;27;1;"MARTINI bead: C3_SP1";;;;;;;1.74;;-2.08;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM396286;MM396286;C=CC#CC(CC)C(C)=O;NKGJVTHJDZGOSQ-UHFFFAOYSA-N;136.19;1.79;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1_Na";;;;;;;2.91;;0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM396287;MM396287;CC(C)C(C)C1C(C)C1F;BVGQBHMHRAJFAX-UHFFFAOYSA-N;144.23;2.88;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1_SNa";;;;;;;2.91;;0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM396288;MM396288;CCC(C#CC=O)C(C)=O;CJJLYVBWWFOAAT-UHFFFAOYSA-N;138.17;0.8;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4_Na";;;;;;;2.2;;0.34;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM396289;MM396289;CC(N)C(C)C1C(C)C1F;JZILAUDEORKYEA-UHFFFAOYSA-N;145.22;1.57;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_SNa";;;;;;;0.87;;-4.92;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM396290;MM396290;C=CC#CC(CO)C(=N)N;PCBMKRIXMGPKTQ-UHFFFAOYSA-N;138.17;-0.28;;;;;DOPC;MDCG;27;1;"MARTINI bead: P4_N0";;;;;;;-0.88;;-6.58;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM396291;MM396291;CC(O)C(C)C1C(C)C1F;JZQDDJNVKSOGSH-UHFFFAOYSA-N;146.21;1.61;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda_SNa";;;;;;;0.87;;-1.99;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM396292;MM396292;N=C(N)C(C#CC=O)CF;LSWHAYSYBCQDNM-UHFFFAOYSA-N;142.13;-0.29;;;;;DOPC;MDCG;27;1;"MARTINI bead: P2_Na";;;;;;;-0.24;;-6.08;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM396293;MM396293;CC(C)C(N)C1C(C)C1F;GLNPXNMXDHTXAX-UHFFFAOYSA-N;145.22;1.57;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_SNa";;;;;;;0.87;;-4.93;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM396294;MM396294;C=CC#CC(CC)C(N)=O;FBQJHHUGJXSXAQ-UHFFFAOYSA-N;137.18;0.69;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1_P3";;;;;;;0.94;;0.03;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM396295;MM396295;CC(C)C(C)C1C(N)C1N;KIMZQFUXRLKDDD-UHFFFAOYSA-N;142.25;0.56;;;;;DOPC;MDCG;27;1;"MARTINI bead: C1_SP3";;;;;;;0.94;;-1.88;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM396296;MM396296;C=CC#CC(CO)C(N)=O;JQLDPYOMGRJXTC-UHFFFAOYSA-N;139.15;-0.73;;;;;DOPC;MDCG;27;0;"MARTINI bead: P3_Nda";;;;;;;-1.1;;-3.97;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM396297;MM396297;CC(N)C(N)C1C(N)C1N;DMDURWBWOBDJGK-UHFFFAOYSA-N;144.22;-2.05;;;;;DOPC;MDCG;27;1;"MARTINI bead: P3_SP3";;;;;;;-3.07;;-8.54;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM396298;MM396298;C=CC#CC(CF)C(N)=O;RNKLJQQQWUYOQD-UHFFFAOYSA-N;141.15;0.25;;;;;DOPC;MDCG;27;0;"MARTINI bead: P3_C4";;;;;;;0.23;;-1.03;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM396299;MM396299;CC(C)C(C)C1C(N)C1O;LREZACWTNFFDJA-UHFFFAOYSA-N;143.23;0.6;;;;;DOPC;MDCG;27;1;"MARTINI bead: C1_SP2";;;;;;;1.8;;-0.86;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM396300;MM396300;CCC(C#CC#N)C(=O)O;YOGRFYVMWBSFLX-UHFFFAOYSA-N;137.14;0.62;;;;;DOPC;MDCG;27;-1;"MARTINI bead: C5_P1";;;;;;;0.81;;-5.87;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM396301;MM396301;CC(O)C(C)C1C(N)C1O;VKOLTLLXMRQHQJ-UHFFFAOYSA-N;145.2;-0.68;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1_SP1";;;;;;;-0.79;;-4.8;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM396302;MM396302;N#CC#CC(CF)C(=O)O;VNVDLSJMXUSDGW-UHFFFAOYSA-N;141.1;0.18;;;;;DOPC;MDCG;27;-1;"MARTINI bead: P1_N0";;;;;;;0.34;;-7.11;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM396303;MM396303;CC(C)C(N)C1C(N)C1O;FHTZQQIXZSYUHG-UHFFFAOYSA-N;144.22;-0.71;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_SP2";;;;;;;-0.24;;-5.63;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM396304;MM396304;C=CC#CC(CN)C(=C)F;WKXWSIUAUAYTLA-UHFFFAOYSA-N;139.17;1.23;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_C5";;;;;;;1.64;;-2.17;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM396305;MM396305;CC(C)C(C)C1C(N)C1F;VCQYOIXPELZPJG-UHFFFAOYSA-N;145.22;1.57;;;;;DOPC;MDCG;27;1;"MARTINI bead: C1_SP1";;;;;;;2.08;;0.15;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM396306;MM396306;C=CC#CC(NC)C(=C)C;CGXONMICJWSFPJ-UHFFFAOYSA-N;135.21;1.34;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_N0";;;;;;;1.17;;-2.22;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM396307;MM396307;CC(C)C(N)C1C(N)C1F;ZKNBUQXVLBYJON-UHFFFAOYSA-N;146.21;0.26;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_SP1";;;;;;;0.04;;-5.35;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM396308;MM396308;CNC(C#CC#N)C(=N)N;OFVSRAJRNUAMSO-UHFFFAOYSA-N;136.16;-0.96;;;;;DOPC;MDCG;27;1;"MARTINI bead: N0_P4";;;;;;;-0.88;;-5.71;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM396309;MM396309;CC(N)C(C)C1C(O)C1O;MYVOHJVQLCEXOV-UHFFFAOYSA-N;145.2;-0.68;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_SP2";;;;;;;-0.24;;-5.59;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM396310;MM396310;C=C(C)C(C#CC#N)OC;WAOIRAMJHSIUSC-UHFFFAOYSA-N;135.17;1.1;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_N0";;;;;;;1.94;;0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM396311;MM396311;CC(C)C(N)C1C(O)C1O;FOYQPWUMDGSZQU-UHFFFAOYSA-N;145.2;-0.68;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_SP2";;;;;;;-0.24;;-5.54;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM396312;MM396312;COC(C#CC=O)C(C)=O;AEKMFPGVDDEGBW-UHFFFAOYSA-N;140.14;-0.21;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_Na";;;;;;;0.87;;-2.22;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM396313;MM396313;CC(C)C(C)C1C(O)C1F;RUIRAQAUORKPSX-UHFFFAOYSA-N;146.21;1.61;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1_SP1";;;;;;;2.08;;0.48;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM396314;MM396314;Nc1nc(O)n(N)c(=O)n1;CFKZWCPUNVWEPA-UHFFFAOYSA-N;143.11;-2.36;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP1_SP4";;;;;;;-2.01;;-8.81;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM396315;MM396315;CC(N)C(C)C1C(O)C1F;HHFLGCKVGCAPRH-UHFFFAOYSA-N;147.19;0.3;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_SP1";;;;;;;0.04;;-5.37;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM396316;MM396316;Nn1c(O)nn(O)c1=O;YJNBIQIZOXDNNJ-UHFFFAOYSA-N;132.08;-2.3;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP2_SP3";;;;;;;-2.2;;-9.09;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM396317;MM396317;CC1C(O)C1C(C)N(C)C;JSEWLKGVKHOBRO-UHFFFAOYSA-N;143.23;0.56;;;;;DOPC;MDCG;27;1;"MARTINI bead: SNda_Nd";;;;;;;0.87;;-4.04;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM396318;MM396318;C#CC#CC(CO)C(=N)N;IRQBLRGDDCBGDI-UHFFFAOYSA-N;136.15;-0.83;;;;;DOPC;MDCG;27;1;"MARTINI bead: P4_N0";;;;;;;-0.88;;-6.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM396319;MM396319;CC(C1C(N)C1F)N(C)C;LUTYOCPMQZVLIY-UHFFFAOYSA-N;146.21;0.23;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_SP1";;;;;;;0.04;;-4.49;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM396320;MM396320;C#CC#CC(OC)C(=N)N;UPLIDGCNPRHLQG-UHFFFAOYSA-N;136.15;-0.43;;;;;DOPC;MDCG;27;1;"MARTINI bead: P2_N0";;;;;;;0.06;;-4.33;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM396321;MM396321;CC(C1C(O)C1O)N(C)C;MOFCHNKYMQLUSE-UHFFFAOYSA-N;145.2;-0.71;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_SP2";;;;;;;-0.24;;-4.69;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM396322;MM396322;C#CC=NOC(C)C(=O)O;UPVGKNSQLZOXDH-UHFFFAOYSA-N;141.13;0.1;;;;;DOPC;MDCG;27;0;"MARTINI bead: N0_P1";;;;;;;0.34;;-5.63;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM396323;MM396323;CC1C(C)C1N(C)C(C)C;KQFIEFXKQJLQHY-UHFFFAOYSA-N;141.26;1.98;;;;;DOPC;MDCG;27;1;"MARTINI bead: SC5_Nd";;;;;;;1.64;;-2.84;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM396324;MM396324;C=CC(C#CCN)C(=C)C;IDLFPLSBVUCKSV-UHFFFAOYSA-N;135.21;1.33;;;;;DOPC;MDCG;27;1;"MARTINI bead: C1_P2";;;;;;;1.8;;-0.4;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM396325;MM396325;CC1C(N)C1N(C)C(C)C;NJCYVBNIGGJFQY-UHFFFAOYSA-N;142.25;0.67;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_SNd";;;;;;;0.87;;-4.25;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM396326;MM396326;C=CC(C#CCO)C(=C)C;JPAUSFOUHRRTEP-UHFFFAOYSA-N;136.19;1.36;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1_P2";;;;;;;1.8;;0.4;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM396327;MM396327;CC(N)C(C)C1C(C)N1C;JAWFRANMGCGLCB-UHFFFAOYSA-N;142.25;0.67;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1_SNd";;;;;;;0.04;;-5.34;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM396328;MM396328;C=CC(C#CCF)C(=C)C;SEHKVRDSFXRVMH-UHFFFAOYSA-N;138.19;2.34;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1_Na";;;;;;;2.91;;0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM396329;MM396329;CC(C)C(N)C1C(C)N1C;LKNCDKARGUHDAV-UHFFFAOYSA-N;142.25;0.67;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_SNd";;;;;;;0.87;;-4.4;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM396330;MM396330;C=C(C)C(C#CCC)C=O;ZYJDNBXJASUWJN-UHFFFAOYSA-N;136.19;1.79;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_Na";;;;;;;1.64;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM396331;MM396331;C=C(C)C(C)C1C(C)C1C;YSSMKHJMCWFHFL-UHFFFAOYSA-N;138.25;3.1;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC5_C1";;;;;;;3.68;;0.46;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM396332;MM396332;C=C(C)C(C#CCF)C=O;JKQPVDOVNJQXIC-UHFFFAOYSA-N;140.16;1.35;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_Na";;;;;;;0.87;;-2.22;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM396333;MM396333;CC(C(=N)N)C1C(C)C1C;PXHKVHGJOOJZKA-UHFFFAOYSA-N;140.23;1.46;;;;;DOPC;MDCG;27;1;"MARTINI bead: SC5_P1";;;;;;;0.81;;-5.58;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM396334;MM396334;C=C(F)C(C)C1C(C)C1C;QTOVENNKCADMNN-UHFFFAOYSA-N;142.22;3.01;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC5_C3";;;;;;;3.34;;0.48;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM396335;MM396335;C=CC(C#CCC)C(C)=O;JHLPNBHCAQZLAZ-UHFFFAOYSA-N;136.19;1.79;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1_Na";;;;;;;2.91;;0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM396336;MM396336;C=C(C)C(N)C1C(C)C1C;BVTJTJDCYLJXRE-UHFFFAOYSA-N;139.24;1.79;;;;;DOPC;MDCG;27;1;"MARTINI bead: SC5_Nd";;;;;;;1.64;;-2.45;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM396337;MM396337;C=CC(C#CCF)C(C)=O;HHNXJSKUEGAGFV-UHFFFAOYSA-N;140.16;1.35;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_Na";;;;;;;0.87;;-2.22;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM396338;MM396338;CC1C(C)C1C(N)C(=N)N;ZFOOQJXRJGEJOE-UHFFFAOYSA-N;141.22;0.15;;;;;DOPC;MDCG;27;1;"MARTINI bead: SC5_P4";;;;;;;-0.41;;-6.1;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM396339;MM396339;CC(=O)C(C#CCO)C=O;XWUDEEBIPWPSPF-UHFFFAOYSA-N;140.14;-0.61;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_P2";;;;;;;-0.24;;-3.24;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM396340;MM396340;CC1C(C)C1C(N)C(N)=O;LDGUHEBJJASSSA-UHFFFAOYSA-N;142.2;-0.3;;;;;DOPC;MDCG;27;1;"MARTINI bead: SC5_P4";;;;;;;-0.41;;-3.85;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM396341;MM396341;CC(=O)C(C#N)C#CCO;YTMMQAULFKVNMU-UHFFFAOYSA-N;137.14;-0.29;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_P2";;;;;;;-0.24;;-3.24;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM396342;MM396342;C=C(F)C(N)C1C(C)C1C;JFQNLBRDZCQQHK-UHFFFAOYSA-N;143.21;1.7;;;;;DOPC;MDCG;27;1;"MARTINI bead: SC5_P1";;;;;;;0.81;;-1.6;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM396343;MM396343;C=CC(C#CCC)C(=N)N;VMJPYPCAWIPCQO-UHFFFAOYSA-N;136.2;1.14;;;;;DOPC;MDCG;27;1;"MARTINI bead: C1_P3";;;;;;;0.94;;-2.97;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM396344;MM396344;CC1C(N)C1C(N)C(=N)N;PTJBGZYKYXULAA-UHFFFAOYSA-N;142.21;-1.16;;;;;DOPC;MDCG;27;1;"MARTINI bead: SNd_P4";;;;;;;-1.19;;-8.14;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM396345;MM396345;C=CC(C#CCN)C(=N)N;OSYJJGRDEHTUHT-UHFFFAOYSA-N;137.19;-0.31;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_P3";;;;;;;-1.1;;-7.13;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM396346;MM396346;C=C(C)C(O)C1C(C)C1N;NSVLCXYMHLHEEH-UHFFFAOYSA-N;141.21;0.52;;;;;DOPC;MDCG;27;1;"MARTINI bead: SNd_Nda";;;;;;;0.87;;-4.2;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM396347;MM396347;C=CC(C#CCF)C(=N)N;WSEQXAFFKPQUHN-UHFFFAOYSA-N;140.16;0.7;;;;;DOPC;MDCG;27;1;"MARTINI bead: P3_C4";;;;;;;0.23;;-4.2;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM396348;MM396348;CC(F)C(=N)N(N)C=NN;MYEAQXUWEFBEHA-UHFFFAOYSA-N;147.16;-0.6;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_P3";;;;;;;-0.33;;-2.01;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM396349;MM396349;CCC#CC(C=O)C(=N)N;KNCNXZKNOTVUAY-UHFFFAOYSA-N;138.17;0.15;;;;;DOPC;MDCG;27;1;"MARTINI bead: C4_P3";;;;;;;0.23;;-3.39;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM396350;MM396350;CC(C(=N)N)C1C(C)C1O;JQWMIWBUUXQFRQ-UHFFFAOYSA-N;142.2;0.19;;;;;DOPC;MDCG;27;1;"MARTINI bead: SNda_P1";;;;;;;0.04;;-7.64;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM396351;MM396351;N=C(N)C(C#CCF)C=O;NFTZYGFBJYNUBG-UHFFFAOYSA-N;142.13;-0.29;;;;;DOPC;MDCG;27;1;"MARTINI bead: P2_Nda";;;;;;;-0.24;;-5.65;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM396352;MM396352;C=C(C)C(N)C1C(C)C1O;LWUVUWXOYNXJFE-UHFFFAOYSA-N;141.21;0.52;;;;;DOPC;MDCG;27;1;"MARTINI bead: SNda_Nd";;;;;;;0.87;;-4.1;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM396353;MM396353;C=CC(C#CCN)C(N)=O;NRCMUWXMPJIIRI-UHFFFAOYSA-N;138.17;-0.76;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_P3";;;;;;;-1.1;;-5.09;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM396354;MM396354;C=C(C)C(C)C1C(N)C1F;MQLWPYDPZPDCKO-UHFFFAOYSA-N;143.21;1.49;;;;;DOPC;MDCG;27;1;"MARTINI bead: C1_SP1";;;;;;;2.08;;0.16;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM396355;MM396355;C=CC(C#CCF)C(N)=O;CALHXYZUPTYIPR-UHFFFAOYSA-N;141.15;0.25;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_Na";;;;;;;0.04;;-2.54;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM396356;MM396356;C=C(C)C(C)C1C(O)C1O;WIXWSHYAIMMXDI-UHFFFAOYSA-N;142.2;0.55;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1_SP2";;;;;;;1.8;;0.4;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM396357;MM396357;CCC#CC(C=O)C(N)=O;FMTRKEYTHCYFIV-UHFFFAOYSA-N;139.15;-0.3;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4_P3";;;;;;;0.23;;-1.03;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM396358;MM396358;CC(C(=N)N)C1C(O)C1O;MZHYXHUWSIBVPQ-UHFFFAOYSA-N;144.17;-1.09;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1_SP2";;;;;;;-1.06;;-8.56;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM396359;MM396359;ONc1cc(O)[nH]n1;CGZXHQGJFUOMJE-UHFFFAOYSA-N;115.09;-0.08;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP1_SP1";;;;;;;-0.79;;-7.24;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM396360;MM396360;CC(=O)N(C)C1C(C)C1C;HJJQCAPZNZYCDG-UHFFFAOYSA-N;141.21;1.12;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC5_P2";;;;;;;0.54;;-1.09;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM396361;MM396361;C#CC1(CC(=O)O)CN1;MPQJJFOCSKLLIH-UHFFFAOYSA-N;125.13;-0.56;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_SP3";;;;;;;-1.93;;-8.59;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM396362;MM396362;CC(=N)N(N)C1C(C)C1C;YRUZJOSAOKTCID-UHFFFAOYSA-N;141.22;0.81;;;;;DOPC;MDCG;27;1;"MARTINI bead: SC5_P2";;;;;;;0.54;;-4.09;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM396363;MM396363;C=CC(C#CCN)C(=C)F;UWIUGYZVYBKYPV-UHFFFAOYSA-N;139.17;1.23;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_C5";;;;;;;1.64;;-1.36;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM396364;MM396364;CC(=O)N(N)C1C(C)C1C;CQIFGACVXDGCQE-UHFFFAOYSA-N;142.2;0.36;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC5_P3";;;;;;;-0.33;;-2.01;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM396365;MM396365;C=CC(C#CCO)C(=C)F;YUKUWJKAAKWDGT-UHFFFAOYSA-N;140.16;1.27;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_C3";;;;;;;1.46;;-0.15;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM396366;MM396366;CC(=N)N(C)C1C(C)C1N;RBVCODNMRTVEFM-UHFFFAOYSA-N;141.22;0.26;;;;;DOPC;MDCG;27;1;"MARTINI bead: SNd_Nd";;;;;;;0.87;;-6.67;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM396367;MM396367;C=C(F)C(C#N)C#CCO;VXSWCLFWWSFOJC-UHFFFAOYSA-N;139.13;0.61;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_C5";;;;;;;0.81;;-0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM396368;MM396368;CC(=O)N(C)C1C(C)C1N;QLFVKSQIPXNNQL-UHFFFAOYSA-N;142.2;-0.19;;;;;DOPC;MDCG;27;1;"MARTINI bead: SNd_P2";;;;;;;-0.24;;-4.75;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM396369;MM396369;C=C(F)C(C#CCF)C=O;UVSVDNAXMOMLNK-UHFFFAOYSA-N;144.12;1.26;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_Na";;;;;;;0.87;;-2.22;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM396370;MM396370;CC(=N)N(C)C1C(N)C1N;MVDBVWHMIKRYJK-UHFFFAOYSA-N;142.21;-1.05;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_SP3";;;;;;;-1.1;;-7.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM396371;MM396371;C=CC(C#CC=O)C(=C)C;GIMYYGGSZMDROB-UHFFFAOYSA-N;134.18;1.57;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1_P1";;;;;;;2.08;;0.48;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM396372;MM396372;C=CCN(C=NN)OCC;CWNNQMPPWFTLGF-UHFFFAOYSA-N;143.19;0.33;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_N0";;;;;;;0.34;;-1.53;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM396373;MM396373;C=CC(C#CC#N)C(=C)C;GGQSFJRLSDJCLI-UHFFFAOYSA-N;131.18;1.89;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4_N0";;;;;;;2.5;;0.44;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM396374;MM396374;C=C(C)C(N)C1C(C)N1C;WZDVCUFUGPUHAK-UHFFFAOYSA-N;140.23;0.59;;;;;DOPC;MDCG;27;1;"MARTINI bead: SNd_Nd";;;;;;;0.87;;-3.82;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM396375;MM396375;C=CC#CC(C=O)C(=C)C;GIPKZRVIRVWCRH-UHFFFAOYSA-N;134.18;1.57;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_N0";;;;;;;1.17;;-1.18;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM396376;MM396376;C#CCN(C=NN)OCC;XJGQJFXBUAGWLI-UHFFFAOYSA-N;141.17;-0.22;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_P2";;;;;;;0.54;;-1.09;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM396377;MM396377;C=C(C)C(C#CC#N)C=O;WEDXDIPZWONYGY-UHFFFAOYSA-N;133.15;0.9;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_N0";;;;;;;1.17;;-1.18;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM396378;MM396378;C=CCN(C=NN)OC=O;NLMUETXYAIVQCM-UHFFFAOYSA-N;143.15;-0.54;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_Na";;;;;;;0.04;;-2.54;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM396379;MM396379;C=C(C)C(C#N)C#CC#N;BFCUUASTHJHMCI-UHFFFAOYSA-N;130.15;1.23;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4_P2";;;;;;;1.09;;-0.37;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM396380;MM396380;CC(=N)N(C)N1C(C)C1C;ICDMEFXHBGPCEJ-UHFFFAOYSA-N;141.22;0.92;;;;;DOPC;MDCG;27;1;"MARTINI bead: SP1_P2";;;;;;;-1.06;;-7.21;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM396381;MM396381;C=CC#CC(C=C)C(C)=O;LJTCYYKZAFMAOD-UHFFFAOYSA-N;134.18;1.57;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_N0";;;;;;;1.17;;-1.18;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM396382;MM396382;CC(=O)N(C)N1C(C)C1C;LXOYSKKKJPLPSP-UHFFFAOYSA-N;142.2;0.47;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP1_P3";;;;;;;-1.93;;-4.72;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM396383;MM396383;C=CC(C#CC=O)C(C)=O;XHMAHLXSAMPBOD-UHFFFAOYSA-N;136.15;0.58;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_C5";;;;;;;1.64;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM396384;MM396384;C=C(C(C)C)C1C(C)C1C;VFTDSSGROHPMBY-UHFFFAOYSA-N;138.25;3.1;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1_SC5";;;;;;;3.68;;0.46;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM396385;MM396385;C=CC(C#CC#N)C(C)=O;HKZFFGMMGAWBGF-UHFFFAOYSA-N;133.15;0.9;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_N0";;;;;;;1.17;;-1.18;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM396386;MM396386;CC(C)C(=O)C1C(C)C1C;FDGRGULWNCUISB-UHFFFAOYSA-N;140.23;2.11;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_SC5";;;;;;;1.64;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM396387;MM396387;C=CC#CC(C#N)C(C)=O;PMAKBRIOZHOVBY-UHFFFAOYSA-N;133.15;0.9;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_N0";;;;;;;1.17;;-1.18;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM396388;MM396388;C=C(C(C)C)C1C(C)C1N;UVISOCSLDSKZCQ-UHFFFAOYSA-N;139.24;1.79;;;;;DOPC;MDCG;27;1;"MARTINI bead: C1_SNd";;;;;;;2.91;;-0.39;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM396389;MM396389;N=C(N)C(C#CC=O)C=O;TVWXVEIUGMNVQF-UHFFFAOYSA-N;138.13;-1.06;;;;;DOPC;MDCG;27;1;"MARTINI bead: P2_Na";;;;;;;-0.24;;-5.47;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM396390;MM396390;C=CCN(C=NN)N=CC;FEIDPUPUUOOPEC-UHFFFAOYSA-N;140.19;0.38;;;;;DOPC;MDCG;27;0;"MARTINI bead: N0_P1";;;;;;;0.34;;-1.53;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM396391;MM396391;O=c1[nH]nc(O)c(=NO)o1;XSMYQGDVIWFZJE-UHFFFAOYSA-N;145.07;-1.64;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP2_SP3";;;;;;;-2.2;;-9.1;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM396392;MM396392;C=C(C(C)O)C1C(C)C1O;OJOFMIFFRPPKIV-UHFFFAOYSA-N;142.2;0.55;;;;;DOPC;MDCG;27;0;"MARTINI bead: N0_SNda";;;;;;;1.17;;-1.13;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM396393;MM396393;C=C(F)C(C#N)C#CC=O;ORAMWTZKXNGCNC-UHFFFAOYSA-N;137.11;0.81;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_P1";;;;;;;0.81;;-0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM396394;MM396394;C=C(C(C)F)C1C(C)C1O;DLRZXFMYHOKNCE-UHFFFAOYSA-N;144.19;1.53;;;;;DOPC;MDCG;27;0;"MARTINI bead: C3_SNda";;;;;;;2.57;;0.44;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM396395;MM396395;C#CC#CC(C=C)C(=C)C;HLFGYWKYQHSTHJ-UHFFFAOYSA-N;130.19;2;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1_N0";;;;;;;3.21;;0.46;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM396396;MM396396;CC(C)C(=O)C1C(C)C1O;HVJBGZRDBVHUQZ-UHFFFAOYSA-N;142.2;0.84;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_SNda";;;;;;;0.87;;-1.99;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM396397;MM396397;C#CC#CC(C=O)C(=C)C;NOLFHPAZENBQJZ-UHFFFAOYSA-N;132.16;1.01;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_N0";;;;;;;1.17;;-1.18;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM396398;MM396398;C=C(C(C)C)C1C(N)C1N;QHHWCOVFONHUAN-UHFFFAOYSA-N;140.23;0.48;;;;;DOPC;MDCG;27;1;"MARTINI bead: C1_SP3";;;;;;;0.94;;-1.83;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM396399;MM396399;C#CC#CC(C=C)C(C)=O;ATVVRKTWAALVCN-UHFFFAOYSA-N;132.16;1.01;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_N0";;;;;;;1.17;;-1.18;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM396400;MM396400;C=C(C(C)O)C1C(O)C1O;RWDCJRXBSAWLLE-UHFFFAOYSA-N;144.17;-0.73;;;;;DOPC;MDCG;27;0;"MARTINI bead: N0_SP2";;;;;;;0.06;;-2.21;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM396401;MM396401;C#CC#CC(C=O)C(C)=O;YLKVJIDLKQLVAZ-UHFFFAOYSA-N;134.13;0.03;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_N0";;;;;;;1.17;;-1.18;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM396402;MM396402;CC(C)C(=O)C1C(O)C1O;FOYCTFIUUYAGMI-UHFFFAOYSA-N;144.17;-0.44;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_SP2";;;;;;;-0.24;;-3.24;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM396403;MM396403;C#CC#CC(C=C)C(N)=O;KODJEKZAHJDUFV-UHFFFAOYSA-N;133.15;-0.09;;;;;DOPC;MDCG;27;0;"MARTINI bead: P3_C3";;;;;;;0.6;;-0.8;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM396404;MM396404;CC(O)C(=O)C1C(O)C1O;KSHZKENRBCGZCE-UHFFFAOYSA-N;146.14;-1.71;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_SP2";;;;;;;-1.34;;-4.31;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM396405;MM396405;C#CC#CC(C=O)C(N)=O;AEGIDNGTASOQLZ-UHFFFAOYSA-N;135.12;-1.08;;;;;DOPC;MDCG;27;0;"MARTINI bead: P3_C5";;;;;;;-0.33;;-2.01;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM396406;MM396406;CC(C)C(=O)C1C(O)C1F;RGIFFOWIATXVQX-UHFFFAOYSA-N;146.16;0.54;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_SP1";;;;;;;0.04;;-2.54;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM396407;MM396407;C#CC#CC(C=C)C(=O)O;QGEODUAYWNNEIU-UHFFFAOYSA-N;134.13;0.51;;;;;DOPC;MDCG;27;-1;"MARTINI bead: P1_C3";;;;;;;1.74;;-3.32;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM396408;MM396408;C=C(C(C)C)C1C(F)C1F;HTSYVOFGOZRQCW-UHFFFAOYSA-N;146.18;2.5;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1_SNa";;;;;;;2.91;;0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM396409;MM396409;C#CC(C#CCN)C(=C)C;LJPAKPYRTQAOAM-UHFFFAOYSA-N;133.19;0.77;;;;;DOPC;MDCG;27;1;"MARTINI bead: C4_P2";;;;;;;1.09;;-1.78;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM396410;MM396410;CC1C(C)C1C(=O)N(C)O;FHNOACZJCHIMQM-UHFFFAOYSA-N;143.19;0.74;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC5_P3";;;;;;;-0.33;;-2.01;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM396411;MM396411;C#CC(C#CCO)C(=C)C;HFVBRGWRGWCYJK-UHFFFAOYSA-N;134.18;0.81;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4_P2";;;;;;;1.09;;-0.38;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM396412;MM396412;CC1C(O)C1C(=O)N(C)C;BWPVMQSDEJADBJ-UHFFFAOYSA-N;143.19;-0.3;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNda_P2";;;;;;;-0.24;;-3.31;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM396413;MM396413;C#CC(C#CCC)C(=N)N;ZFMGXZPBFOJIBT-UHFFFAOYSA-N;134.18;0.59;;;;;DOPC;MDCG;27;1;"MARTINI bead: C1_P3";;;;;;;0.94;;-1.8;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM396414;MM396414;CN(N)C(=N)C1C(O)C1O;YYOKPAWWIHELHS-UHFFFAOYSA-N;145.16;-1.88;;;;;DOPC;MDCG;27;1;"MARTINI bead: P2_SP2";;;;;;;-1.34;;-6.55;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM396415;MM396415;C#CC(C#CCF)C(=N)N;WPTKLETUPACBTH-UHFFFAOYSA-N;138.15;0.14;;;;;DOPC;MDCG;27;1;"MARTINI bead: P3_C4";;;;;;;0.23;;-2.99;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM396416;MM396416;C=C(C(C)C)C1C(C)N1C;NMWDZWMAZDTFSC-UHFFFAOYSA-N;139.24;1.9;;;;;DOPC;MDCG;27;0;"MARTINI bead: C2_SNd";;;;;;;2.83;;0.66;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM396417;MM396417;C#CC(C#CCC)C(N)=O;JQZGQDMXXMVECP-UHFFFAOYSA-N;135.17;0.13;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1_P3";;;;;;;0.94;;0.03;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM396418;MM396418;C=C(C(C)N)C1C(C)N1C;DGYXNPVQNNFXON-UHFFFAOYSA-N;140.23;0.59;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_SNd";;;;;;;0.87;;-4.25;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM396419;MM396419;C#CC(C#CC=C)C(=N)N;VKWDTENCKKHAFP-UHFFFAOYSA-N;132.17;0.36;;;;;DOPC;MDCG;27;1;"MARTINI bead: P3_C3";;;;;;;0.6;;-2.72;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM396420;MM396420;C#CC(C#CC=O)C(=N)N;BPCXWDVKLVOICO-UHFFFAOYSA-N;134.14;-0.63;;;;;DOPC;MDCG;27;1;"MARTINI bead: P3_C5";;;;;;;-0.33;;-3.88;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM396421;MM396421;C=C(C)N(C=NN)OC=O;FWQRBVTYLAHVKK-UHFFFAOYSA-N;143.15;-0.19;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4_P3";;;;;;;0.23;;-1.03;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM396422;MM396422;CC(C)C(=O)C1C(C)N1C;AXUISGPEQYWBNR-UHFFFAOYSA-N;141.21;0.91;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_SNd";;;;;;;0.87;;-1.88;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM396423;MM396423;C#CC(C#CC=C)C(N)=O;KCASKZAYNXWTKL-UHFFFAOYSA-N;133.15;-0.09;;;;;DOPC;MDCG;27;0;"MARTINI bead: P3_C3";;;;;;;0.6;;-0.8;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM396424;MM396424;CC1C(C(=N)N(C)C)N1C;HLLBWEARHHPUAQ-UHFFFAOYSA-N;141.22;0.23;;;;;DOPC;MDCG;27;1;"MARTINI bead: SNd_P2";;;;;;;-0.24;;-6.83;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM396425;MM396425;C#CC(C#CC=O)C(N)=O;MLBFYMDOHUKFTP-UHFFFAOYSA-N;135.12;-1.08;;;;;DOPC;MDCG;27;0;"MARTINI bead: P3_C5";;;;;;;-0.33;;-2.01;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM396426;MM396426;CC(C)C(=N)N1C(C)C1C;YJSQPJSMIBRWOF-UHFFFAOYSA-N;140.23;1.71;;;;;DOPC;MDCG;27;1;"MARTINI bead: C3_SP1";;;;;;;1.74;;-3.05;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM396427;MM396427;C#CC(C#CC#N)C(=O)O;QLSXZOJFANXARE-UHFFFAOYSA-N;133.11;-0.15;;;;;DOPC;MDCG;27;-1;"MARTINI bead: P1_C5";;;;;;;0.81;;-6.14;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM396428;MM396428;CC(N)C(=N)N1C(C)C1C;SMJUYDRLEWYCEL-UHFFFAOYSA-N;141.22;0.4;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1_SP1";;;;;;;-0.79;;-5.53;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM396429;MM396429;C#CC#CC(C#C)C(=N)N;ZTOHWVYDVUFAKT-UHFFFAOYSA-N;130.15;-0.19;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1_N0";;;;;;;0.34;;-3.42;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM396430;MM396430;CC(O)C(=N)N1C(C)C1C;DCORDQISXBNCIP-UHFFFAOYSA-N;142.2;0.44;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1_SP1";;;;;;;-0.79;;-5.54;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM396431;MM396431;C#CC#CC(C#C)C(N)=O;MKRJEIDSAMPZMA-UHFFFAOYSA-N;131.13;-0.64;;;;;DOPC;MDCG;27;0;"MARTINI bead: P3_C4";;;;;;;0.23;;-1.03;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM396432;MM396432;CC(C)C(=O)N1C(C)C1C;JICAWXDPSZWTKD-UHFFFAOYSA-N;141.21;1.26;;;;;DOPC;MDCG;27;0;"MARTINI bead: C3_SP1";;;;;;;1.74;;0.29;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM396433;MM396433;CC(C)C(C#CCN)=CF;QJEMOCNVZABHPH-UHFFFAOYSA-N;141.19;1.46;;;;;DOPC;MDCG;27;1;"MARTINI bead: C3_P2";;;;;;;1.46;;-1.32;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM396434;MM396434;CC1C(C)N1C(=N)N(C)C;NKRIWZLDBIMZJE-UHFFFAOYSA-N;141.22;0.58;;;;;DOPC;MDCG;27;1;"MARTINI bead: SP1_P1";;;;;;;-0.79;;-8.07;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM396435;MM396435;CC(C)C(C#CCO)=CF;ZGZHTWGUGVAXDB-UHFFFAOYSA-N;142.17;1.49;;;;;DOPC;MDCG;27;0;"MARTINI bead: C3_P2";;;;;;;1.46;;-0.15;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM396436;MM396436;CC1C(C)N1C(=O)N(C)C;XQSGATDHSYNROT-UHFFFAOYSA-N;142.2;0.76;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP1_P1";;;;;;;-0.79;;-3.13;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM396437;MM396437;CC=C(C#CCN)C(C)F;NAEDGJCMXITPRC-UHFFFAOYSA-N;141.19;1.25;;;;;DOPC;MDCG;27;1;"MARTINI bead: P2_C3";;;;;;;1.46;;-1.35;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM396438;MM396438;CC1C(C)N1C(=O)N(C)N;JIUATPMLYCZNIC-UHFFFAOYSA-N;143.19;;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP1_P3";;;;;;;-1.93;;-4.72;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM396439;MM396439;CC(F)C(C#CCN)=CF;QGZIQVIYJWWICT-UHFFFAOYSA-N;145.15;1.16;;;;;DOPC;MDCG;27;1;"MARTINI bead: C5_P2";;;;;;;0.54;;-2.33;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM396440;MM396440;CC1C(C)N1C(=O)N(C)O;VNHDWQXDPWGRFY-UHFFFAOYSA-N;144.17;0.52;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP1_P3";;;;;;;-1.93;;-4.72;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM396441;MM396441;CC(F)C(C#CCO)=CF;QVLJWONGIRLIAE-UHFFFAOYSA-N;146.14;1.19;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_P2";;;;;;;0.54;;-1.09;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM396442;MM396442;CC(C)C(C#CCF)=NO;MLVDKYBYZOKPBJ-UHFFFAOYSA-N;143.16;1.45;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_Na";;;;;;;1.64;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM396443;MM396443;C=C(C)C(=C)C1C(C)C1C;XSSOYCZKUPTHOQ-UHFFFAOYSA-N;136.24;3.02;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC5_C1";;;;;;;3.68;;0.46;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM396444;MM396444;C=NOCCC#CC#N;HORKFTXIYJXKFS-UHFFFAOYSA-N;122.13;0.54;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_N0";;;;;;;0.34;;-1.53;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM396445;MM396445;C=C(C(C)=O)C1C(C)C1C;XKXORLPCINDXMS-UHFFFAOYSA-N;138.21;2.03;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC5_Na";;;;;;;1.64;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM396446;MM396446;C=C(CC#CC)C(C)(C)O;YFINIMOWUBKPON-UHFFFAOYSA-N;138.21;1.73;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4_C5";;;;;;;2.97;;0.45;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM396447;MM396447;C=C(C)C(=O)C1C(C)C1C;QRUSJAPKEGNVPH-UHFFFAOYSA-N;138.21;2.03;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC5_Na";;;;;;;1.64;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM396448;MM396448;CN=C(C#CCN)N(C)C;NMEVSKOQUUAVTR-UHFFFAOYSA-N;139.2;-0.46;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_P1";;;;;;;0.04;;-5;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM396449;MM396449;C=C(C)C(=C)C1C(C)C1N;VYURPVRMIQGLQA-UHFFFAOYSA-N;137.23;1.71;;;;;DOPC;MDCG;27;1;"MARTINI bead: SNd_C1";;;;;;;2.91;;-0.38;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM396450;MM396450;C=NNC(=N)CC(F)=CF;XHUKDGDLFHFOJJ-UHFFFAOYSA-N;147.13;1.34;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_P2";;;;;;;0.54;;-1.09;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM396451;MM396451;C=C(C(=N)N)C1C(C)C1N;WYRHJGRQUJOSRV-UHFFFAOYSA-N;139.2;0.07;;;;;DOPC;MDCG;27;1;"MARTINI bead: SNd_P1";;;;;;;0.04;;-7.49;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM396452;MM396452;CNN=C(C)NC(=N)C#N;PEJNMRGELWCNAD-UHFFFAOYSA-N;139.16;-0.37;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nd_P2";;;;;;;-0.24;;-3.16;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM396453;MM396453;CC=NN(C=NN)C(C)C;XSMKSJULLNSYIU-UHFFFAOYSA-N;142.21;0.6;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_P1";;;;;;;0.81;;-0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM396454;MM396454;C=COC(=O)C=NNCC;ZJYXMYLIIGSANQ-UHFFFAOYSA-N;142.16;0.27;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nd_Na";;;;;;;0.87;;-1.88;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM396455;MM396455;C=C(C)C(=C)C1C(N)C1O;CGRVQHGQUAUGLJ-UHFFFAOYSA-N;139.2;0.44;;;;;DOPC;MDCG;27;1;"MARTINI bead: C1_SP2";;;;;;;1.8;;-0.81;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM396456;MM396456;CCC(=O)ON=C(C)NN;IMFIIIVQIPJTKG-UHFFFAOYSA-N;145.16;-0.26;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_P2";;;;;;;-0.24;;-3.24;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM396457;MM396457;C=C(C(=N)N)C1C(N)C1O;DWINDFVVJLSTMG-UHFFFAOYSA-N;141.17;-1.2;;;;;DOPC;MDCG;27;1;"MARTINI bead: SP2_P1";;;;;;;-1.06;;-8.45;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM396458;MM396458;C#CC1=CCC(O)(C=C)C1;LVQSBYWYQWGDAS-UHFFFAOYSA-N;134.18;1.26;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNda_SC5";;;;;;;1.64;;0.05;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM396459;MM396459;C=C(C)C(=C)C1C(N)C1F;DPAFABSFEYJUHF-UHFFFAOYSA-N;141.19;1.41;;;;;DOPC;MDCG;27;1;"MARTINI bead: C1_SP1";;;;;;;2.08;;0.2;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM396460;MM396460;CCC(=N)N=C(NN)OC;CSNBIOPQXMNCLO-UHFFFAOYSA-N;144.18;-0.16;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nd_P2";;;;;;;-0.24;;-3.16;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM396461;MM396461;C=C(C(C)=O)C1C(O)C1O;RTHFVRTZCCJHQU-UHFFFAOYSA-N;142.15;-0.52;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_SP2";;;;;;;-0.24;;-3.24;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM396462;MM396462;C=CC1(C=C)CC(O)C1C;HXPJGEWKRUFWDV-UHFFFAOYSA-N;138.21;1.75;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNda_SC3";;;;;;;2.57;;0.44;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM396463;MM396463;C=C(C)C(=O)C1C(O)C1O;DBYHZBZALCQGDC-UHFFFAOYSA-N;142.15;-0.52;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_SP2";;;;;;;-0.24;;-3.24;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM396464;MM396464;C#CC1(C=C)NC1C(C)=O;XEGRQKJFJCIJJP-UHFFFAOYSA-N;135.17;0.11;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_SP1";;;;;;;0.04;;-2.54;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM396465;MM396465;C=C(C(C)=O)C1C(O)C1F;GVDFWSNZVKRNKS-UHFFFAOYSA-N;144.15;0.46;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_SP1";;;;;;;0.04;;-2.54;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM396466;MM396466;CCC#CC(=NO)N(C)O;QDLACCFMYGVNPR-UHFFFAOYSA-N;142.16;0.51;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_P2";;;;;;;0.54;;-1.09;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM396467;MM396467;C=C(C(=N)N)C1C(O)C1F;LDJBBDMXRADSJR-UHFFFAOYSA-N;144.15;-0.19;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1_SP1";;;;;;;-0.79;;-7.94;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM396468;MM396468;CN(O)C(C#CCO)=NO;KHRJKRYELDQXFQ-UHFFFAOYSA-N;144.13;-0.91;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_P2";;;;;;;-1.34;;-4.31;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM396469;MM396469;C=C(C)C(=O)C1C(O)C1F;ZNSAJELLILVNBT-UHFFFAOYSA-N;144.15;0.46;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_SP1";;;;;;;0.04;;-2.54;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM396470;MM396470;CC=C(C#CC#N)C(C)C;YZSZBRWVYIQUJT-UHFFFAOYSA-N;133.19;2.12;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_C3";;;;;;;3.34;;0.48;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM396471;MM396471;C=C(C)C(=C)C1C(C)N1C;JEBGXQCKHYUZSK-UHFFFAOYSA-N;137.23;1.82;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNd_C3";;;;;;;2.57;;0.57;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM396472;MM396472;CC(C)C(C#CC#N)=CF;PCHMEYKHRBBOIV-UHFFFAOYSA-N;137.16;2.02;;;;;DOPC;MDCG;27;0;"MARTINI bead: C3_Na";;;;;;;2.57;;0.45;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM396473;MM396473;CNN=C(COC)C(F)F;MJISTEIDSMUVPY-UHFFFAOYSA-N;152.14;0.47;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nd_P1";;;;;;;0.04;;-2.63;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM396474;MM396474;CC=C(C#CC#N)C(C)F;QYMBFDIFHYBNFG-UHFFFAOYSA-N;137.16;1.82;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_C5";;;;;;;2.41;;0.64;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM396475;MM396475;C=C(C(=N)N)C1C(C)N1C;CXDOFOGLCLQRII-UHFFFAOYSA-N;139.2;0.18;;;;;DOPC;MDCG;27;1;"MARTINI bead: SNd_P2";;;;;;;-0.24;;-7.71;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM396476;MM396476;CC(C)C(C#CC=O)=NO;KMJBLUXGWSFJIX-UHFFFAOYSA-N;139.15;0.67;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_P1";;;;;;;0.81;;-0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM396477;MM396477;C=C(C)C(=N)N1C(C)C1C;HHLLUHCGNVOONY-UHFFFAOYSA-N;138.21;1.63;;;;;DOPC;MDCG;27;1;"MARTINI bead: SP1_C4";;;;;;;1.37;;-3.38;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM396478;MM396478;C#CC1(C#C)NC1C(C)=O;HJCPWJPJOYBNBX-UHFFFAOYSA-N;133.15;-0.45;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_SP1";;;;;;;0.04;;-2.54;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM396479;MM396479;C=CCc1cc(N)c(C)[nH]1;XEDWBKVZXMMYRX-UHFFFAOYSA-N;136.2;1.63;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNd_SC5";;;;;;;1.64;;0.02;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM396480;MM396480;C=C(C)C(C#CCN)=CC;GZIDCZGBKAFPHI-UHFFFAOYSA-N;135.21;1.47;;;;;DOPC;MDCG;27;1;"MARTINI bead: C1_P2";;;;;;;1.8;;-0.27;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM396481;MM396481;CC1C(C)N1C(=N)C(=N)N;IBULXGRFJUVMBS-UHFFFAOYSA-N;140.19;-0.01;;;;;DOPC;MDCG;27;1;"MARTINI bead: SP1_P3";;;;;;;-1.93;;-7.98;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM396482;MM396482;C=C(C)C(C#CCO)=CF;OKVHOEPXSVCGII-UHFFFAOYSA-N;140.16;1.41;;;;;DOPC;MDCG;27;0;"MARTINI bead: C2_P2";;;;;;;1.72;;0.27;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM396483;MM396483;C=CCC1CC2CC2(O)C1;KSBYOXPXXQMWGB-UHFFFAOYSA-N;138.21;1.72;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNda_SC1";;;;;;;2.91;;0.57;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM396484;MM396484;CC=C(C#CCO)C(C)=O;ADUOBFIBIOASEU-UHFFFAOYSA-N;138.17;0.52;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_C5";;;;;;;0.54;;-1.09;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM396485;MM396485;CC(C)=C(C)C1C(C)C1C;BNXIWUMAAZOHJY-UHFFFAOYSA-N;138.25;3.24;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC5_C1";;;;;;;3.68;;0.46;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM396486;MM396486;CC(=O)C(C#CCF)=CF;QJTBAFIYAWVBJV-UHFFFAOYSA-N;144.12;1.4;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_Na";;;;;;;0.87;;-2.22;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM396487;MM396487;CC(F)=C(C)C1C(C)C1C;JTOSKBDHZKCXIW-UHFFFAOYSA-N;142.22;3.15;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC5_C3";;;;;;;3.34;;0.48;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM396488;MM396488;CC=C(C#CCN)C(=N)N;HARFQAKPNOHRNP-UHFFFAOYSA-N;137.19;-0.17;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_P2";;;;;;;-0.24;;-6.64;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM396489;MM396489;CC(F)=C(C)C1C(C)C1N;UPPCIUZQDKFDJG-UHFFFAOYSA-N;143.21;1.84;;;;;DOPC;MDCG;27;1;"MARTINI bead: SNd_C3";;;;;;;2.57;;-1.33;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM396490;MM396490;N=C(N)C(C#CCN)=CN;AZHFXNOSQNBNQN-UHFFFAOYSA-N;138.17;-1.27;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1_P3";;;;;;;-1.93;;-7.92;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM396491;MM396491;CC(=C(F)F)C1C(C)C1N;ZMHYSXZODCSLRU-UHFFFAOYSA-N;147.17;1.75;;;;;DOPC;MDCG;27;1;"MARTINI bead: SNd_C4";;;;;;;2.2;;-2.04;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM396492;MM396492;N=C(N)C(C#CCO)=CN;VKMAFRSTUKXSQR-UHFFFAOYSA-N;139.16;-1.24;;;;;DOPC;MDCG;27;1;"MARTINI bead: P3_P2";;;;;;;-2.2;;-8.37;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM396493;MM396493;CC(=C(F)F)C1C(C)C1O;DTYFLWQGEJSFNF-UHFFFAOYSA-N;148.15;1.78;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNda_C4";;;;;;;2.2;;0.49;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM396494;MM396494;N=C(N)C(C#CCF)=CF;KBIGXDIGUWVWMK-UHFFFAOYSA-N;144.12;0.75;;;;;DOPC;MDCG;27;1;"MARTINI bead: P3_C4";;;;;;;0.23;;-2.98;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM396495;MM396495;CC(C)=C(C)C1C(N)C1N;YSNOCVVJDBKYMM-UHFFFAOYSA-N;140.23;0.63;;;;;DOPC;MDCG;27;1;"MARTINI bead: C1_SP3";;;;;;;0.94;;-1.83;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM396496;MM396496;CCC(=O)C=C(C)C(=O)O;MDDQAVHYGMRQBB-UHFFFAOYSA-N;142.15;1;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_Nda";;;;;;;0.87;;-6.12;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM396497;MM396497;CC(C)=C(C)C1C(N)C1O;RXHCDOOSMAXNML-UHFFFAOYSA-N;141.21;0.66;;;;;DOPC;MDCG;27;1;"MARTINI bead: C1_SP2";;;;;;;1.8;;-0.82;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM396498;MM396498;C=C(C)C(C#CCF)=NO;IYLMYSIUIMRVNN-UHFFFAOYSA-N;141.15;1.37;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda_Na";;;;;;;0.87;;-1.99;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM396499;MM396499;CC(F)=C(C)C1C(N)C1O;XSFOJZMFCXIDTK-UHFFFAOYSA-N;145.18;0.57;;;;;DOPC;MDCG;27;1;"MARTINI bead: C3_SP2";;;;;;;1.46;;-1.94;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM396500;MM396500;NN=C(C#CCO)C(N)=O;UNKIFLBDHMBFOF-UHFFFAOYSA-N;141.13;-2.22;;;;;DOPC;MDCG;27;0;"MARTINI bead: P3_P2";;;;;;;-2.2;;-5.19;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM396501;MM396501;CC(C)=C(C)C1C(N)C1F;KLWNHDLKEBJNKN-UHFFFAOYSA-N;143.21;1.64;;;;;DOPC;MDCG;27;1;"MARTINI bead: C1_SP1";;;;;;;2.08;;0.19;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM396502;MM396502;NC(=O)C(C#CCO)=NO;ISRZLXOAKDAERX-UHFFFAOYSA-N;142.11;-1.7;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_P1";;;;;;;-1.06;;-3.82;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM396503;MM396503;CC(C)=C(C)C1C(C)N1C;RRBYCTFPVBZIQZ-UHFFFAOYSA-N;139.24;2.05;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNd_C1";;;;;;;2.91;;0.67;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM396504;MM396504;O=CC=NN=CC(=O)O;PKRULYXENYQCCY-UHFFFAOYSA-N;128.09;-0.67;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_P1";;;;;;;-0.79;;-7.25;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM396505;MM396505;CC(F)=C(C)C1C(C)N1C;BWDWZLQRYZAJJX-UHFFFAOYSA-N;143.21;1.95;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNd_C3";;;;;;;2.57;;0.54;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM396506;MM396506;C=C(C)C(C#CC#N)=CC;KYBDBIRYXYPQOB-UHFFFAOYSA-N;131.18;2.04;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1_N0";;;;;;;3.21;;0.46;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM396507;MM396507;N#CC=COCCC(=O)O;WFJOKBKLAOLZBS-UHFFFAOYSA-N;141.13;0.51;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_N0";;;;;;;0.06;;-6.69;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM396508;MM396508;C=C(C)C(C#CC#N)=CF;RJBILDJOMALSDI-UHFFFAOYSA-N;135.14;1.94;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4_Na";;;;;;;2.2;;0.34;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM396509;MM396509;C=C(CO)NC(=O)C(=O)O;YXCIJIRWWXDINX-UHFFFAOYSA-N;145.11;-1.31;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda_P3";;;;;;;-1.1;;-8.21;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM396510;MM396510;CC=C(C#CC#N)C(C)=O;JAMDWKCEMYDPBD-UHFFFAOYSA-N;133.15;1.05;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_Na";;;;;;;1.64;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM396511;MM396511;CC(F)C(O)C(C#N)=NO;BVLRBNMMQWZPDA-UHFFFAOYSA-N;146.12;0.06;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_P3";;;;;;;-0.33;;-6.08;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM396512;MM396512;CC(=O)C(C#CC=O)=CN;FPKYIPQCKLBFAZ-UHFFFAOYSA-N;137.14;-0.38;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_Na";;;;;;;0.04;;-2.54;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM396513;MM396513;CNN=c1cnoc(C)n1;QWLIXYKOHPWBLN-UHFFFAOYSA-N;140.15;-0.59;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP3_SP2";;;;;;;-2.2;;-5.19;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM396514;MM396514;CC(=O)C(C#CC#N)=CF;RYXXGPXGGFEWEU-UHFFFAOYSA-N;137.11;0.96;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_Na";;;;;;;0.87;;-2.22;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM396515;MM396515;CC1(C)OC1C(=NN)NN;JSKONDUFOQKGOA-UHFFFAOYSA-N;144.18;-1.1;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNa_P4";;;;;;;-1.19;;-4.76;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM396516;MM396516;C=CC#CC(=CN)C(=N)N;WBYFRYNVZHNMJI-UHFFFAOYSA-N;135.17;-0.05;;;;;DOPC;MDCG;27;1;"MARTINI bead: C5_P3";;;;;;;-0.33;;-5.18;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM396517;MM396517;C=CC(C=C)CC1(O)CC1;GVKWHZWTSHYAKV-UHFFFAOYSA-N;138.21;1.89;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNda_C2";;;;;;;2.83;;0.57;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM396518;MM396518;N=C(N)C(C#CC=O)=CN;IXIDZWIVJBMYBA-UHFFFAOYSA-N;137.14;-1.03;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nda_P3";;;;;;;-1.1;;-6.98;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM396519;MM396519;CC(=O)OCC(=NN)NN;ISBLRARHZSNXLL-UHFFFAOYSA-N;146.15;-1.72;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_P4";;;;;;;-1.19;;-4.76;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM396520;MM396520;C=CC#CC(=CN)C(N)=O;XHHCRBUPWIFELR-UHFFFAOYSA-N;136.15;-0.5;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_P3";;;;;;;-0.33;;-2.01;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM396521;MM396521;CC(C)(C#N)C1NC1C=O;FAVODCJYBOHIGA-UHFFFAOYSA-N;138.17;0.08;;;;;DOPC;MDCG;27;0;"MARTINI bead: N0_SP2";;;;;;;0.06;;-2.21;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM396522;MM396522;NC=C(C#CC=O)C(N)=O;LUQSXRIUMJZJIT-UHFFFAOYSA-N;138.13;-1.48;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda_P3";;;;;;;-1.1;;-3.97;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM396523;MM396523;CCC1(C2CC2(C)O)CC1;JPUGCCJLIQHABO-UHFFFAOYSA-N;140.23;1.95;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC3_SNda";;;;;;;2.57;;0.44;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM396524;MM396524;N#CC#CC(=CN)C(N)=O;DIISWLQWWUPJFI-UHFFFAOYSA-N;135.13;-1.16;;;;;DOPC;MDCG;27;0;"MARTINI bead: N0_P3";;;;;;;-0.8;;-2.99;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM396525;MM396525;O=Cc1cc(O)on1;BQAUSLQPYCDIFM-UHFFFAOYSA-N;113.07;0.19;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNda_SNa";;;;;;;0.87;;-6.61;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM396526;MM396526;CC=C(C#CC#N)C(=O)O;FTKKHKIUBKHZKY-UHFFFAOYSA-N;135.12;0.54;;;;;DOPC;MDCG;27;-1;"MARTINI bead: C5_P1";;;;;;;0.81;;-6.07;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM396527;MM396527;CC(C#CC(=O)O)NC=O;URQOYHQDJFGKLR-UHFFFAOYSA-N;141.13;-0.79;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_P1";;;;;;;-0.79;;-7.73;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM396528;MM396528;Cn1c(O)nncc1=O;XEMKAWDHPYXCKU-UHFFFAOYSA-N;127.1;-1.12;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP3_SP2";;;;;;;-2.2;;-9.1;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM396529;MM396529;O=c1cc2[nH]ncoc-2c1;LSMWPUSJIQFTBX-UHFFFAOYSA-N;136.11;0.47;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNa_SP1";;;;;;;0.04;;-7.13;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM396530;MM396530;C=C(F)C(C#CC#N)=CC;YSGAYILGTNATMJ-UHFFFAOYSA-N;135.14;1.94;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_C5";;;;;;;2.41;;0.64;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM396531;MM396531;Nc1n[nH]c(=O)oc1=NO;LUCLHDXMEXJKIL-UHFFFAOYSA-N;144.09;-1.77;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP2_SP3";;;;;;;-2.2;;-5.19;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM396532;MM396532;C=CC1(CO)C=CC(C)=C1;SSSXUMFEZOYTJU-UHFFFAOYSA-N;136.19;1.67;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC5_SC5";;;;;;;2.41;;0.64;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM396533;MM396533;C#CC(N)=CC(=O)O;NCEGXUVOVWWKGU-UHFFFAOYSA-N;111.1;-0.45;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nd_P1";;;;;;;0.04;;-7.21;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM396534;MM396534;C=CC#CC(=NO)C(N)=O;PHYVQEGGFQGQTC-UHFFFAOYSA-N;138.13;-0.51;;;;;DOPC;MDCG;27;0;"MARTINI bead: P3_N0";;;;;;;-0.8;;-2.99;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM396535;MM396535;O=c1o[nH]c(F)c1F;JRRBJMATWNKZTE-UHFFFAOYSA-N;121.04;0.25;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNda_SP2";;;;;;;-0.24;;-7.8;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM396536;MM396536;C#CC#CC(=CF)C(=C)C;SAQLNPPCJPHOGH-UHFFFAOYSA-N;134.15;2.05;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4_C4";;;;;;;3.53;;0.53;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM396537;MM396537;Oc1c(F)nn(O)c1F;INGDVIGJGCXCOJ-UHFFFAOYSA-N;136.06;0.1;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNda_SNda";;;;;;;0.87;;-6.7;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM396538;MM396538;C#CC#CC(=CF)C(C)=O;KQNXDBXEMPTITI-UHFFFAOYSA-N;136.13;1.07;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_C4";;;;;;;2.2;;0.34;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM396539;MM396539;NN=c1oc(=O)[nH]oc1=O;PMBCHZDIVGSZEK-UHFFFAOYSA-N;145.07;-2.3;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP2_SP2";;;;;;;-1.34;;-4.31;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM396540;MM396540;COC(=CF)C(=O)O;BQEKNNDXJVTVOW-UHFFFAOYSA-N;120.08;0.53;;;;;DOPC;MDCG;27;0;"MARTINI bead: N0_P1";;;;;;;0.34;;-5.64;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM396541;MM396541;O=c1[nH]oc(=O)c(=NO)o1;MFPGODTYNUVXHJ-UHFFFAOYSA-N;146.06;-1.79;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP2_SP2";;;;;;;-1.34;;-4.31;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM396542;MM396542;C#CC#CC(=NO)C(=C)C;HPQVLZKSVZDFOW-UHFFFAOYSA-N;133.15;1.03;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda_N0";;;;;;;1.17;;-1.13;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM396543;MM396543;C#CC(=O)C(=N)N(C)NC;MCLAOXQPUVNOGS-UHFFFAOYSA-N;139.16;-0.77;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_P1";;;;;;;-1.06;;-3.82;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM396544;MM396544;CCC(=CCCN)C(C)C;SRZCLFXDKMRMSQ-UHFFFAOYSA-N;141.26;2.33;;;;;DOPC;MDCG;27;1;"MARTINI bead: C1_P1";;;;;;;2.08;;-1.14;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM396545;MM396545;C=Cn1onc(O)c1=O;BRTZNGFEDNBOEA-UHFFFAOYSA-N;128.09;-0.36;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP1_SP2";;;;;;;-1.06;;-8.32;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM396546;MM396546;CC(C)C(=CCCN)CN;MAJQYNOJCSKYES-UHFFFAOYSA-N;142.25;0.88;;;;;DOPC;MDCG;27;1;"MARTINI bead: C5_P1";;;;;;;0.81;;-3.36;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM396547;MM396547;COC(CF)C(C#N)=NO;SOFYWKAFYFGCLP-UHFFFAOYSA-N;146.12;0.32;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_P2";;;;;;;-0.24;;-7.77;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM396548;MM396548;CC(C)C(=CCCO)CN;QZGYABSCEVBFIJ-UHFFFAOYSA-N;143.23;0.91;;;;;DOPC;MDCG;27;1;"MARTINI bead: C5_P1";;;;;;;0.81;;-2.72;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM396549;MM396549;C#CC(F)C(C=O)=NO;NAZBPDMGXWSTDD-UHFFFAOYSA-N;129.09;-0.01;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_Na";;;;;;;0.04;;-7.14;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM396550;MM396550;CC(C)C(=CCCF)CN;IBSJKLDCQIIRSI-UHFFFAOYSA-N;145.22;1.89;;;;;DOPC;MDCG;27;1;"MARTINI bead: C5_C5";;;;;;;2.41;;0.02;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM396551;MM396551;CCn1oc(=O)ccc1=O;NFOGXVJRVHTQMG-UHFFFAOYSA-N;141.13;-0.18;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP1_SP1";;;;;;;-0.79;;-3.13;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM396552;MM396552;CCCC=C(CN)C(C)N;YBZUUYDSTNZAOJ-UHFFFAOYSA-N;142.25;1.02;;;;;DOPC;MDCG;27;1;"MARTINI bead: C3_P3";;;;;;;0.6;;-3.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM396553;MM396553;CNn1oc(=O)ccc1=O;RMYGQAPTBJMTPT-UHFFFAOYSA-N;142.11;-1.03;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP2_SP1";;;;;;;-1.06;;-3.82;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM396554;MM396554;CC(N)C(=CCCF)CN;VXLZMBNJYSZQRI-UHFFFAOYSA-N;146.21;0.58;;;;;DOPC;MDCG;27;1;"MARTINI bead: P3_C5";;;;;;;-0.33;;-4.31;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM396555;MM396555;COn1oc(=O)ccc1=O;LIIACVJKHOWAHO-UHFFFAOYSA-N;143.1;-1.14;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP1_SP1";;;;;;;-0.79;;-3.13;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM396556;MM396556;CC(N)C(=CCCF)CF;CXNZIHNULOSIPQ-UHFFFAOYSA-N;149.18;1.59;;;;;DOPC;MDCG;27;1;"MARTINI bead: Na_Nda";;;;;;;0.87;;-4.4;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM396557;MM396557;CCn1oc(=N)ncc1=N;JLNWXAWEZFOFOY-UHFFFAOYSA-N;140.15;-0.55;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP2_SP3";;;;;;;-2.2;;-5.19;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM396558;MM396558;CC(O)C(=CCCN)CF;GGUOVUZPWKZKJW-UHFFFAOYSA-N;147.19;0.61;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1_Nda";;;;;;;0.04;;-5.47;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM396559;MM396559;CCn1oc(=O)ncc1=N;OJFBPCWUUYMAKW-UHFFFAOYSA-N;141.13;-0.66;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP2_SP3";;;;;;;-2.2;;-5.19;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM396560;MM396560;CCC(=CCCN)C(C)F;OGBVSLADAHBMGT-UHFFFAOYSA-N;145.22;2.03;;;;;DOPC;MDCG;27;1;"MARTINI bead: C1_P1";;;;;;;2.08;;-1.14;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM396561;MM396561;CCn1oc(=N)ncc1=O;PHQQPWCJOYJFJR-UHFFFAOYSA-N;141.13;-0.66;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP2_SP3";;;;;;;-2.2;;-5.19;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM396562;MM396562;CCCC=C(CN)C(C)F;STRYMGTZUBPQOD-UHFFFAOYSA-N;145.22;2.03;;;;;DOPC;MDCG;27;1;"MARTINI bead: C3_Nda";;;;;;;2.57;;-1.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM396563;MM396563;CCn1oc(=O)ncc1=O;WIWYOCVHEGMJLC-UHFFFAOYSA-N;142.11;-0.78;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP1_SP3";;;;;;;-1.93;;-4.72;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM396564;MM396564;CC(F)C(=CCCN)CN;OHWZUVSRWVNFCF-UHFFFAOYSA-N;146.21;0.58;;;;;DOPC;MDCG;27;1;"MARTINI bead: P2_Nda";;;;;;;-0.24;;-6.14;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM396565;MM396565;CNn1oc(=N)ncc1=N;IDILSZJUSVIESI-UHFFFAOYSA-N;141.13;-1.39;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP3_SP3";;;;;;;-3.07;;-6.15;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM396566;MM396566;CCC(=CCCN)C(F)F;ZWAXHTOQRSUTPS-UHFFFAOYSA-N;149.18;1.94;;;;;DOPC;MDCG;27;1;"MARTINI bead: C3_P1";;;;;;;1.74;;-2.08;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM396567;MM396567;CNn1oc(=O)ncc1=N;KIAMWMKDCKUFRY-UHFFFAOYSA-N;142.12;-1.51;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP2_SP3";;;;;;;-2.2;;-5.19;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM396568;MM396568;NCC(=CCCF)C(F)F;JHDCPEUIKURAGJ-UHFFFAOYSA-N;153.15;1.5;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nda_N0";;;;;;;1.17;;-3.21;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM396569;MM396569;CNn1oc(=N)ncc1=O;BWNCPKIOFFAUSU-UHFFFAOYSA-N;142.12;-1.51;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP3_SP3";;;;;;;-3.07;;-6.15;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM396570;MM396570;OCCC=C(CO)C(F)F;UDODXAKBDYAGLM-UHFFFAOYSA-N;152.14;0.55;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_Nda";;;;;;;0.04;;-2.73;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM396571;MM396571;CNn1oc(=O)ncc1=O;JHUHEZQMOZLUCL-UHFFFAOYSA-N;143.1;-1.63;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP2_SP3";;;;;;;-2.2;;-5.19;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM396572;MM396572;CNCC=C(CN)C(C)C;CBPDNQRXNUHKSC-UHFFFAOYSA-N;142.25;0.75;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1_C5";;;;;;;0.81;;-3.05;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM396573;MM396573;COn1oc(=N)ncc1=N;ITTRWQQCYSXRKD-UHFFFAOYSA-N;142.12;-1.51;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP2_SP3";;;;;;;-2.2;;-5.19;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM396574;MM396574;CNCC=C(CF)C(C)C;CHSVBALLFXEPBK-UHFFFAOYSA-N;145.22;1.76;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1_C3";;;;;;;1.74;;-1.63;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM396575;MM396575;COn1oc(=O)ncc1=N;ZACMQWZACMZLHB-UHFFFAOYSA-N;143.1;-1.63;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP2_SP3";;;;;;;-2.2;;-5.19;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM396576;MM396576;CNCC=C(CO)C(C)N;CQELPPKVMBVCKT-UHFFFAOYSA-N;144.22;-0.53;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1_P1";;;;;;;-0.79;;-5.49;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM396577;MM396577;COn1oc(=N)ncc1=O;XKACDUHSZMTZPT-UHFFFAOYSA-N;143.1;-1.63;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP3_SP3";;;;;;;-3.07;;-6.15;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM396578;MM396578;CCC(=CCNC)C(C)F;JLUFWATZTJDSOV-UHFFFAOYSA-N;145.22;1.9;;;;;DOPC;MDCG;27;1;"MARTINI bead: C1_P1";;;;;;;2.08;;-0.7;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM396579;MM396579;COn1oc(=O)ncc1=O;QKIODITYBUKKAF-UHFFFAOYSA-N;144.09;-1.75;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP1_SP3";;;;;;;-1.93;;-4.72;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM396580;MM396580;CNCC=C(CN)C(C)F;KANBHXUIDQQPNK-UHFFFAOYSA-N;146.21;0.45;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nda_P2";;;;;;;-0.24;;-5.83;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM396581;MM396581;COn1oc(=O)nnc1=N;KBXWBNRNKBJPDK-UHFFFAOYSA-N;144.09;-2.23;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP2_SP3";;;;;;;-2.2;;-5.19;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM396582;MM396582;CNCC=C(CN)C(F)F;MFEWVTNESDZEES-UHFFFAOYSA-N;150.17;0.36;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_P2";;;;;;;-0.24;;-5.64;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM396583;MM396583;COn1oc(=N)nnc1=O;PLYYHYMGHBNHLE-UHFFFAOYSA-N;144.09;-2.23;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP3_SP3";;;;;;;-3.07;;-6.15;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM396584;MM396584;COCC=C(CN)C(C)C;VSHYSLSFKYTRNY-UHFFFAOYSA-N;143.23;1.17;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1_C5";;;;;;;0.81;;-2.72;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM396585;MM396585;O=C(O)C(=O)NCCO;IYENBEYPOIXIHY-UHFFFAOYSA-N;133.1;-1.82;;;;;DOPC;MDCG;27;0;"MARTINI bead: P4_P1";;;;;;;-2.01;;-8.98;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM396586;MM396586;COCC=C(CO)C(C)F;NMXDEAZGPCHVAR-UHFFFAOYSA-N;148.18;0.91;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_Nda";;;;;;;0.87;;-1.99;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM396587;MM396587;N#CC(=O)NOC=NO;LEAZLFAGYTUGKX-UHFFFAOYSA-N;129.08;-1.02;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_P1";;;;;;;-1.06;;-8.32;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM396588;MM396588;CCOC=C(OC)C(C)N;BXEVNRAWAPMFMM-UHFFFAOYSA-N;145.2;0.86;;;;;DOPC;MDCG;27;1;"MARTINI bead: C5_P1";;;;;;;0.81;;-2.11;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM396589;MM396589;C=Nn1nc(N)ccc1=N;QRLDHVMAWUVSBV-UHFFFAOYSA-N;137.15;-0.59;;;;;DOPC;MDCG;27;1;"MARTINI bead: SP1_SP2";;;;;;;-1.06;;-4.91;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM396590;MM396590;CCOC=C(OC)C(C)O;BWHYTTINTGYFOI-UHFFFAOYSA-N;146.19;0.89;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_P1";;;;;;;0.81;;-0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM396591;MM396591;C=Cn1nnc(F)c1O;CXJOUBVHASXWIX-UHFFFAOYSA-N;129.09;0.22;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP1_SP1";;;;;;;-0.79;;-7.74;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM396592;MM396592;CCOC=C(OC)C(F)F;ZRPOSTXQXMYQBC-UHFFFAOYSA-N;152.14;1.78;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_N0";;;;;;;1.94;;0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM396593;MM396593;OCc1cc(O)[nH]n1;UAVGIEIWZYNZML-UHFFFAOYSA-N;114.1;-0.39;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP1_SP1";;;;;;;-0.79;;-7.74;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM396594;MM396594;CCNN=C(CC)C(C)C;WMFYZTLXLUHDIN-UHFFFAOYSA-N;142.25;2.02;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_C4";;;;;;;1.37;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM396595;MM396595;C#CC(F)C(=N)NC=CF;IMAIJORTSOXEOJ-UHFFFAOYSA-N;144.12;0.97;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda_Nda";;;;;;;0.87;;-2.07;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM396596;MM396596;N=c1nc(O)c(F)nn1O;BVLKPRROEZEMCH-UHFFFAOYSA-N;146.08;-1.16;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP1_SP3";;;;;;;-1.93;;-8.87;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM396597;MM396597;CC(=NN)N(C)OC=NN;ZHXVSGVHMZSCOR-UHFFFAOYSA-N;145.17;-0.96;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_Nd";;;;;;;-0.24;;-3.16;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM396598;MM396598;CNn1[nH]c(=O)n(N)c1=O;CAZFYLMUNMNFJU-UHFFFAOYSA-N;145.12;-2.77;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP2_SP3";;;;;;;-2.2;;-9.38;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM396599;MM396599;CCNN=CNN(C)C=O;FTLDNGJKCYMYTQ-UHFFFAOYSA-N;144.18;-0.87;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nd_P4";;;;;;;-1.19;;-4.91;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM396600;MM396600;C=NN(C=N)CC(=O)O;VWNRGUBEVCDJSX-UHFFFAOYSA-N;129.12;-0.4;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_P2";;;;;;;-1.06;;-8.32;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM396601;MM396601;CCNN=C(CO)C(F)F;SIBQNBPKIUZIKY-UHFFFAOYSA-N;152.14;0.21;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_N0";;;;;;;0.34;;-1.53;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM396602;MM396602;N=Cn1oc(=O)ccc1=N;MJNUAIXTKDDKSS-UHFFFAOYSA-N;139.11;-0.62;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP2_SP1";;;;;;;-1.06;;-3.82;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM396603;MM396603;N=c1ccc(=O)on1C=O;ZJMROVSLBUQYMF-UHFFFAOYSA-N;140.1;-1.04;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP1_SP2";;;;;;;-1.06;;-3.82;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM396604;MM396604;CC(C=NNCCF)=NN;ZCWLCNHAULQJPJ-UHFFFAOYSA-N;146.17;-0.13;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nd_P2";;;;;;;-0.24;;-3.16;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM396605;MM396605;C=Cn1oc(=O)ccc1=O;WNDALXKFXAOJHK-UHFFFAOYSA-N;139.11;-0.1;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNa_SP1";;;;;;;0.04;;-2.54;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM396606;MM396606;CCON=C(CN)C(C)C;QBMIXXUGSUUBEX-UHFFFAOYSA-N;144.22;0.99;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1_C5";;;;;;;0.81;;-1.91;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM396607;MM396607;N=Cn1oc(=O)ccc1=O;JWBOBVUUUDSYSQ-UHFFFAOYSA-N;140.1;-0.74;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP2_SP1";;;;;;;-1.06;;-3.82;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM396608;MM396608;CCON=C(CF)C(C)C;CFJHDINISIVJPJ-UHFFFAOYSA-N;147.19;2;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_C3";;;;;;;2.57;;0.45;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM396609;MM396609;O=Cn1oc(=O)ccc1=O;DGGCPKCATIHYHX-UHFFFAOYSA-N;141.08;-1.16;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP1_SP1";;;;;;;-0.79;;-3.13;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM396610;MM396610;CCON=C(OC)C(C)O;QPTPHTJDZZUVAM-UHFFFAOYSA-N;147.17;0.36;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_P2";;;;;;;0.54;;-1.09;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM396611;MM396611;C=Nn1oc(=O)ccc1=N;UELZJSVZKNNSQN-UHFFFAOYSA-N;139.11;-0.62;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP1_SP1";;;;;;;-0.79;;-3.13;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM396612;MM396612;CCC(=NCCO)N(C)C;CVEQOYRTQMKPCT-UHFFFAOYSA-N;144.22;0.35;;;;;DOPC;MDCG;27;1;"MARTINI bead: C5_P2";;;;;;;0.54;;-5.1;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM396613;MM396613;C=Nn1oc(=O)ccc1=O;FBPYFZJJOVIZLA-UHFFFAOYSA-N;140.1;-0.73;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP1_SP1";;;;;;;-0.79;;-3.13;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM396614;MM396614;CCCN=C(CN)N(C)C;FBSQRDLAFCSZTP-UHFFFAOYSA-N;143.23;0.32;;;;;DOPC;MDCG;27;1;"MARTINI bead: C3_P3";;;;;;;0.6;;-3.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM396615;MM396615;C=Cn1oc(=N)ncc1=N;HGHGBYXHYAYKBT-UHFFFAOYSA-N;138.13;-0.46;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP2_SP3";;;;;;;-2.2;;-5.19;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM396616;MM396616;CCCN=C(CO)N(C)C;SADLMUKLYZPEDK-UHFFFAOYSA-N;144.22;0.35;;;;;DOPC;MDCG;27;1;"MARTINI bead: C3_P3";;;;;;;0.6;;-3.91;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM396617;MM396617;N=Cn1oc(=N)ncc1=N;IBEDPKXFUQLHOY-UHFFFAOYSA-N;139.12;-1.11;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP2_SP3";;;;;;;-2.2;;-5.19;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM396618;MM396618;CNC(=NCCN)N(C)C;CLRPUNQLRSEFHS-UHFFFAOYSA-N;144.22;-0.92;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1_P1";;;;;;;-0.79;;-8.24;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM396619;MM396619;N=c1ncc(=N)n(C=O)o1;PAJZMKAMJBBGCZ-UHFFFAOYSA-N;140.1;-1.53;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP3_SP2";;;;;;;-2.2;;-5.19;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM396620;MM396620;CNC(=NCCF)N(C)C;OBAFFVHUZSKABN-UHFFFAOYSA-N;147.2;0.09;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1_C5";;;;;;;0.81;;-5.3;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM396621;MM396621;C=Cn1oc(=O)ncc1=N;IQGYDHLTJLKYOJ-UHFFFAOYSA-N;139.11;-0.58;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP1_SP3";;;;;;;-1.93;;-4.72;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM396622;MM396622;CN(C)C(=NCCO)NO;KKCDRGBSKDYTQX-UHFFFAOYSA-N;147.18;-1.12;;;;;DOPC;MDCG;27;1;"MARTINI bead: P2_P1";;;;;;;-1.06;;-6.72;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM396623;MM396623;N=Cn1oc(=O)ncc1=N;SZMDXPXNDINDFP-UHFFFAOYSA-N;140.1;-1.23;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP2_SP3";;;;;;;-2.2;;-5.19;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM396624;MM396624;CN(N)C(=NCCO)NN;CMGAXHYATBGZJO-UHFFFAOYSA-N;147.18;-2.4;;;;;DOPC;MDCG;27;1;"MARTINI bead: P3_P1";;;;;;;-1.93;;-8.08;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM396625;MM396625;N=c1cnc(=O)on1C=O;KGKIJFZXUQZAEG-UHFFFAOYSA-N;141.09;-1.65;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP3_SP2";;;;;;;-2.2;;-5.19;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM396626;MM396626;CN(N)C(=NCCF)NN;HVHSETZHEWKOAT-UHFFFAOYSA-N;149.17;-1.42;;;;;DOPC;MDCG;27;1;"MARTINI bead: P3_C5";;;;;;;-0.33;;-5.27;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM396627;MM396627;C=Cn1oc(=N)ncc1=O;UDEQWSDTQPZRDX-UHFFFAOYSA-N;139.11;-0.58;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP1_SP3";;;;;;;-1.93;;-4.72;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM396628;MM396628;CNC(=NCCN)N(C)O;MBKVBVUNKRCOES-UHFFFAOYSA-N;146.19;-1.16;;;;;DOPC;MDCG;27;1;"MARTINI bead: P2_P1";;;;;;;-1.06;;-6.7;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM396629;MM396629;N=Cn1oc(=N)ncc1=O;ZKYBSYMIGKQZIO-UHFFFAOYSA-N;140.1;-1.23;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP3_SP3";;;;;;;-3.07;;-6.15;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM396630;MM396630;CNC(=NCCO)N(C)O;ZIISKUBVVJPWCV-UHFFFAOYSA-N;147.18;-1.12;;;;;DOPC;MDCG;27;1;"MARTINI bead: P2_P1";;;;;;;-1.06;;-6.49;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM396631;MM396631;N=c1ncc(=O)n(C=O)o1;AVICJMNVJBBHFT-UHFFFAOYSA-N;141.09;-1.65;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP3_SP2";;;;;;;-2.2;;-5.19;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM396632;MM396632;CN(O)C(=NCCF)NN;LPKLKELJQIRVDN-UHFFFAOYSA-N;150.16;-0.9;;;;;DOPC;MDCG;27;1;"MARTINI bead: P3_C5";;;;;;;-0.33;;-3.81;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM396633;MM396633;C=Cn1oc(=O)ncc1=O;WLGIFLUGWQSCAO-UHFFFAOYSA-N;140.1;-0.7;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP1_SP3";;;;;;;-1.93;;-4.72;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM396634;MM396634;CN(O)C(=NCCN)NO;YTLBJAOGFWUXTN-UHFFFAOYSA-N;148.17;-1.4;;;;;DOPC;MDCG;27;1;"MARTINI bead: P2_P1";;;;;;;-1.06;;-4.85;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM396635;MM396635;N=Cn1oc(=O)ncc1=O;WNGVUZULWLLXGL-UHFFFAOYSA-N;141.09;-1.35;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP2_SP3";;;;;;;-2.2;;-5.19;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM396636;MM396636;CCCN=C(OC)N(C)C;XWNRKKQJHXHHFJ-UHFFFAOYSA-N;144.22;0.96;;;;;DOPC;MDCG;27;1;"MARTINI bead: C5_P1";;;;;;;0.81;;-1.65;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM396637;MM396637;O=Cn1oc(=O)ncc1=O;LXFBQIZGAGLXKJ-UHFFFAOYSA-N;142.07;-1.77;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP2_SP3";;;;;;;-2.2;;-5.19;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM396638;MM396638;CC(C#N)=NNC=CC=O;TUDMJUGYHDHFNS-UHFFFAOYSA-N;137.14;0.19;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nd_Na";;;;;;;0.87;;-1.88;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM396639;MM396639;C=Nn1oc(=N)ncc1=N;XWVXWYOCIXFXLN-UHFFFAOYSA-N;139.12;-1.1;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP2_SP3";;;;;;;-2.2;;-5.19;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM396640;MM396640;C#CC(=NNCC)NNC;JWQYOWXHMVODEV-UHFFFAOYSA-N;140.19;-0.73;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nd_P3";;;;;;;-1.1;;-3.93;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM396641;MM396641;C=Nn1oc(=O)ncc1=N;XZKIZUYPLFLLAT-UHFFFAOYSA-N;140.1;-1.22;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP2_SP3";;;;;;;-2.2;;-5.19;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM396642;MM396642;CCON=C(OC)N(C)C;VPZHEWKBDAQWDB-UHFFFAOYSA-N;146.19;0.5;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_P1";;;;;;;0.81;;-0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM396643;MM396643;C=Nn1oc(=N)ncc1=O;VCMZTYKEVAZYQD-UHFFFAOYSA-N;140.1;-1.22;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP2_SP3";;;;;;;-2.2;;-5.19;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM396644;MM396644;CCON=C(OC)N(C)N;HJTQVMUZZQPKPF-UHFFFAOYSA-N;147.18;-0.25;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_P2";;;;;;;0.54;;-1.09;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM396645;MM396645;C=Nn1oc(=O)ncc1=O;SMXAMZIAWHITMH-UHFFFAOYSA-N;141.09;-1.34;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP2_SP3";;;;;;;-2.2;;-5.19;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM396646;MM396646;C=CCC=C(CN)C(C)C;DDRLINYSJDOGKQ-UHFFFAOYSA-N;139.24;2.1;;;;;DOPC;MDCG;27;1;"MARTINI bead: C3_C5";;;;;;;3.34;;0.58;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM396647;MM396647;N=c1nnc(=N)n(C=O)o1;XMQLEJFJPDFCHV-UHFFFAOYSA-N;141.09;-2.13;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP3_SP3";;;;;;;-3.07;;-6.15;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM396648;MM396648;C=CCC=C(CN)C(C)N;ZVQQNAJINFVTMC-UHFFFAOYSA-N;140.23;0.79;;;;;DOPC;MDCG;27;1;"MARTINI bead: P3_C4";;;;;;;0.23;;-3.33;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM396649;MM396649;N=c1nnc(=O)on1C=O;BDLWDRLJWOYLAK-UHFFFAOYSA-N;142.07;-2.25;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP3_SP3";;;;;;;-3.07;;-6.15;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM396650;MM396650;C=CCC=C(CF)C(C)N;XOSVZKBNXPUYJZ-UHFFFAOYSA-N;143.21;1.81;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1_C2";;;;;;;2;;-1.03;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM396651;MM396651;C=Nn1oc(=N)nnc1=N;REBDZLIEODHZLG-UHFFFAOYSA-N;140.11;-1.71;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP2_SP3";;;;;;;-2.2;;-5.19;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM396652;MM396652;C=CCC=C(CN)C(C)O;XNZBJXBWEBXENM-UHFFFAOYSA-N;141.21;0.83;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1_C5";;;;;;;0.81;;-2.35;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM396653;MM396653;C=Nn1oc(=O)nnc1=O;DGDASTIVLHDOCF-UHFFFAOYSA-N;142.07;-1.94;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP2_SP3";;;;;;;-2.2;;-5.19;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM396654;MM396654;C=CCC=C(CN)C(C)F;ZEXUSACQSIEWDQ-UHFFFAOYSA-N;143.21;1.81;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nda_C4";;;;;;;2.2;;-1.41;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM396655;MM396655;Cn1ccc(O)cc1=NO;GOZKEAHCBFUMGK-UHFFFAOYSA-N;140.14;0.02;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNda_SNda";;;;;;;0.87;;-2.07;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM396656;MM396656;COC(=CCC#N)C(C)F;ZZALBOWAIQVMHA-UHFFFAOYSA-N;143.16;1.79;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_C5";;;;;;;1.64;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM396657;MM396657;ON=c1cc(O)ccn1O;WTXJNHUNAWHPHM-UHFFFAOYSA-N;142.11;-0.28;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNda_SP1";;;;;;;0.04;;-2.73;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM396658;MM396658;COC(=CCC#N)C(F)F;SOROAQVAAOJALG-UHFFFAOYSA-N;147.12;1.7;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_N0";;;;;;;1.17;;-1.18;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM396659;MM396659;CCC(=O)C(=O)ON=CN;SKDLKCGMMSCYRM-UHFFFAOYSA-N;144.13;-0.59;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_P2";;;;;;;-0.24;;-3.24;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM396660;MM396660;CCC(=CNC=N)C(C)C;ZBCWEVSEOFJZNC-UHFFFAOYSA-N;140.23;2.13;;;;;DOPC;MDCG;27;1;"MARTINI bead: C1_P3";;;;;;;0.94;;-3.51;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM396661;MM396661;CN=c1nc(N)ccn1C;MRIQHZIWLUPGTD-UHFFFAOYSA-N;138.17;-0.47;;;;;DOPC;MDCG;27;1;"MARTINI bead: SN0_SP1";;;;;;;0.34;;-7.12;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM396662;MM396662;CCC(=CNC=O)C(C)C;FXSJIUPTZDXSNQ-UHFFFAOYSA-N;141.21;1.68;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1_P3";;;;;;;0.94;;0.03;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM396663;MM396663;Cn1ccc(N)nc1=NN;NNHOYGYFTXBPFM-UHFFFAOYSA-N;139.16;-1.22;;;;;DOPC;MDCG;27;1;"MARTINI bead: SP1_SP1";;;;;;;-0.79;;-7.61;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM396664;MM396664;CC(C)C(=CNC=N)CN;XQDNAYSMCXAAAF-UHFFFAOYSA-N;141.22;0.68;;;;;DOPC;MDCG;27;1;"MARTINI bead: C5_P3";;;;;;;-0.33;;-5.62;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM396665;MM396665;Cn1ccc(=O)[nH]c1=NN;KOWGAHGEURNTHE-UHFFFAOYSA-N;140.15;-1.51;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP1_SP3";;;;;;;-1.93;;-4.72;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM396666;MM396666;CC(C)C(=CNC=O)CN;RUDGNAVZGWVPIH-UHFFFAOYSA-N;142.2;0.23;;;;;DOPC;MDCG;27;1;"MARTINI bead: C5_P3";;;;;;;-0.33;;-3.79;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM396667;MM396667;CN=c1nc(N)ccn1N;IHQMPLPSETYXLJ-UHFFFAOYSA-N;139.16;-1.29;;;;;DOPC;MDCG;27;1;"MARTINI bead: SP1_SP1";;;;;;;-0.79;;-7.38;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM396668;MM396668;CC(C)C(=CNC=N)CF;OCEMVQNDYYGRSJ-UHFFFAOYSA-N;144.19;1.69;;;;;DOPC;MDCG;27;1;"MARTINI bead: C3_P3";;;;;;;0.6;;-4.22;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM396669;MM396669;NN=c1nc(N)ccn1N;GKKQMDHQNHFMIJ-UHFFFAOYSA-N;140.15;-2.05;;;;;DOPC;MDCG;27;1;"MARTINI bead: SP2_SP1";;;;;;;-1.06;;-6.17;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM396670;MM396670;CC(C)C(=CNC=O)CF;YNDZGBFZNDCQRE-UHFFFAOYSA-N;145.18;1.24;;;;;DOPC;MDCG;27;0;"MARTINI bead: C3_P3";;;;;;;0.6;;-0.8;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM396671;MM396671;CN=c1nc(N)ccn1O;HRPOYPBEDORJRC-UHFFFAOYSA-N;140.15;-0.77;;;;;DOPC;MDCG;27;1;"MARTINI bead: SP1_SP1";;;;;;;-0.79;;-6.96;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM396672;MM396672;CCC(=CNC=O)C(C)N;WSOQMRAYTMDCBF-UHFFFAOYSA-N;142.2;0.37;;;;;DOPC;MDCG;27;1;"MARTINI bead: P3_C5";;;;;;;-0.33;;-4.03;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM396673;MM396673;NN=c1nc(N)ccn1O;SJODSAMYFJRRHE-UHFFFAOYSA-N;141.13;-1.52;;;;;DOPC;MDCG;27;1;"MARTINI bead: SP2_SP1";;;;;;;-1.06;;-5.7;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM396674;MM396674;CC(O)C(=CNC=N)CO;AQPHPPXMJZFSQO-UHFFFAOYSA-N;144.17;-0.56;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1_P3";;;;;;;-1.93;;-8.03;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM396675;MM396675;NN=c1[nH]c(=O)ccn1O;WQDGTGIQJNHBGS-UHFFFAOYSA-N;142.12;-1.81;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP3_SP2";;;;;;;-2.2;;-5.19;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM396676;MM396676;CC(O)C(=CNC=O)CO;ZCOMDHOFALSETC-UHFFFAOYSA-N;145.16;-1.01;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_P3";;;;;;;-1.93;;-4.72;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM396677;MM396677;C#CC=C(OC=O)C(=O)O;AYPZQRKOEPMZSB-UHFFFAOYSA-N;140.09;-0.24;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_N0";;;;;;;0.34;;-6.14;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM396678;MM396678;CCC(=CNC=O)C(C)F;SBSWXIYGQVCYJZ-UHFFFAOYSA-N;145.18;1.38;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1_P3";;;;;;;0.94;;0.03;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM396679;MM396679;C=COC(C=O)=CC(=O)O;AMGGJKOOAMBJIG-UHFFFAOYSA-N;142.11;0.31;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_P2";;;;;;;0.54;;-5.58;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM396680;MM396680;O=CNC=C(CF)C(F)F;FFCPXOWVNOKKPW-UHFFFAOYSA-N;153.1;0.85;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4_P3";;;;;;;0.23;;-1.03;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM396681;MM396681;C=C(C#CC(=O)O)OCC;NFXXTXWRWDRBOL-UHFFFAOYSA-N;140.14;0.62;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_P1";;;;;;;0.81;;-5.07;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM396682;MM396682;COC(=CNC=N)C(C)N;RIDIAHBYJSGFNX-UHFFFAOYSA-N;143.19;0.02;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nda_P3";;;;;;;-1.1;;-6.56;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM396683;MM396683;CC=C(C#CC(=O)O)OC;IBRDZLSRGBJEMZ-UHFFFAOYSA-N;140.14;0.62;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_P1";;;;;;;0.81;;-5.07;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM396684;MM396684;COC(=CNC=O)C(C)N;CMNAUYAPYOMDFK-UHFFFAOYSA-N;144.17;-0.43;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nda_P3";;;;;;;-1.1;;-5.22;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM396685;MM396685;COC(=CNC=N)C(C)O;IPHKOLLEYNFDQW-UHFFFAOYSA-N;144.17;0.05;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nda_P3";;;;;;;-1.1;;-6.46;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM396686;MM396686;CN(C=O)N=CC(=O)O;NABRXOYTBYBHMX-UHFFFAOYSA-N;130.1;-0.86;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_P1";;;;;;;-1.06;;-8.33;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM396687;MM396687;COC(=CNC=O)C(C)O;LMNSVALOMAGFCF-UHFFFAOYSA-N;145.16;-0.4;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_P1";;;;;;;-0.79;;-3.13;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM396688;MM396688;CN=c1nc(N)cnn1C;SXCGMQQZNNZEAX-UHFFFAOYSA-N;139.16;-1.07;;;;;DOPC;MDCG;27;1;"MARTINI bead: SP2_SP2";;;;;;;-1.34;;-5.7;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM396689;MM396689;CCC(=COC=O)C(C)N;IUEWVXNSOMLTIA-UHFFFAOYSA-N;143.19;0.8;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1_C5";;;;;;;0.81;;-2.89;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM396690;MM396690;Cn1ncc(N)nc1=NO;ZCGBJDZRXBTOAP-UHFFFAOYSA-N;141.13;-1.31;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP2_SP2";;;;;;;-1.34;;-4.31;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM396691;MM396691;NCC(=COC=O)C(F)F;OQIASFFRDDMACB-UHFFFAOYSA-N;151.11;0.27;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_P1";;;;;;;0.04;;-4.64;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM396692;MM396692;O=CNCC(=O)C(=O)O;QHMYWENCIWVSFI-UHFFFAOYSA-N;131.09;-1.61;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_P3";;;;;;;-2.2;;-9.38;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM396693;MM396693;O=COC=C(CO)C(F)F;LYSJIKFAAUQZNZ-UHFFFAOYSA-N;152.1;0.3;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda_P1";;;;;;;0.04;;-2.73;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM396694;MM396694;CNC(C=O)=C(N)C(=O)O;SPCJKXRNTHFSRF-UHFFFAOYSA-N;144.13;-1.34;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_P1";;;;;;;-1.06;;-8.33;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM396695;MM396695;C=COC=C(OC)C(C)N;IIPXZGSHLUNGIO-UHFFFAOYSA-N;143.19;0.98;;;;;DOPC;MDCG;27;1;"MARTINI bead: C5_P1";;;;;;;0.81;;-2.11;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM396696;MM396696;C=C(C#N)C(=O)C=NNC;YZEVPSRJFGNQBG-UHFFFAOYSA-N;137.14;-0.16;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_N0";;;;;;;0.34;;-1.53;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM396697;MM396697;COC(=COC=O)C(C)N;KGLVBLDQBTZWOE-UHFFFAOYSA-N;145.16;-0.01;;;;;DOPC;MDCG;27;1;"MARTINI bead: P2_P1";;;;;;;-1.06;;-5.44;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM396698;MM396698;Nc1cnn(N)c(=NO)n1;PDNXIEGNFUZIOJ-UHFFFAOYSA-N;142.12;-2.14;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP2_SP3";;;;;;;-2.2;;-5.19;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM396699;MM396699;C=COC=C(OC)C(C)O;RCNVAYSLSYRFID-UHFFFAOYSA-N;144.17;1.02;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_P1";;;;;;;0.81;;-0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM396700;MM396700;CNc1noc(C#N)c1O;FKWWYFPXBNCJDT-UHFFFAOYSA-N;139.11;0.29;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNda_SNda";;;;;;;0.87;;-6.71;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM396701;MM396701;CC(O)C(CO)=NNC=O;ZFVSPJZZMLKGQH-UHFFFAOYSA-N;146.15;-1.54;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_P2";;;;;;;-1.06;;-3.82;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM396702;MM396702;NN=c1[nH]nc(O)c(=O)o1;YONPKPWJFKNRGA-UHFFFAOYSA-N;144.09;-2.16;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP3_SP4";;;;;;;-3.15;;-10.25;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM396703;MM396703;CC(O)C(CF)=NNC=O;XAGNQAAWLZLJQF-UHFFFAOYSA-N;148.14;-0.56;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_Na";;;;;;;-0.24;;-3.24;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM396704;MM396704;CC=CCCCC(O)CC;NXTZXNYLFFQTQH-UHFFFAOYSA-N;142.24;2.5;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda_C1";;;;;;;2.91;;0.57;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM396705;MM396705;CON=CC(C#N)C(F)F;NSWLDRQEZWMQNH-UHFFFAOYSA-N;148.11;1.02;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_N0";;;;;;;1.17;;-1.18;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM396706;MM396706;C=CCOC(=CN)C(=O)O;ADNRXCRQRVKNBA-UHFFFAOYSA-N;143.14;0.07;;;;;DOPC;MDCG;27;0;"MARTINI bead: P3_C4";;;;;;;0.23;;-5.39;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM396707;MM396707;CC(O)C(CO)=NOC=O;DIWNUTJEUCMOJL-UHFFFAOYSA-N;147.13;-1.11;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_P2";;;;;;;-1.06;;-3.82;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM396708;MM396708;CN1CC1(C)C(=O)O;QQUYUIPQHPSWKJ-UHFFFAOYSA-N;115.13;-0.22;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNd_P1";;;;;;;0.04;;-7.23;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM396709;MM396709;C=CCN=C(CO)N(C)C;GCPQYKYKKYVDME-UHFFFAOYSA-N;142.2;0.12;;;;;DOPC;MDCG;27;1;"MARTINI bead: P3_C4";;;;;;;0.23;;-3.77;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM396710;MM396710;CC(C(=O)O)=C(N)C=CF;GSUNWJPAZHADIH-UHFFFAOYSA-N;145.13;0.79;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_P1";;;;;;;0.81;;-5.07;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM396711;MM396711;NN=c1cc(N)nnn1N;QXVQAPOLGQWAKX-UHFFFAOYSA-N;141.14;-2.65;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP2_SP2";;;;;;;-1.34;;-4.31;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM396712;MM396712;C=NN(C=N)C=CC(=O)O;MGBMFSKKCOVSHG-UHFFFAOYSA-N;141.13;0.11;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_P2";;;;;;;-1.06;;-8.33;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM396713;MM396713;C=CC(O)C(C)C1CC1C;GFHPYKZGHYQPNM-UHFFFAOYSA-N;140.23;1.83;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC5_C5";;;;;;;2.41;;0.64;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM396714;MM396714;Cn1c(O)nnnc1=O;WRTAGOAIUGEPJF-UHFFFAOYSA-N;128.09;-1.72;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP2_SP3";;;;;;;-2.2;;-9.39;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM396715;MM396715;CN(O)C(CF)=NCC#N;HFOMEILHDMNQQV-UHFFFAOYSA-N;145.14;0.2;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_Na";;;;;;;0.04;;-2.54;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM396716;MM396716;O=C(O)C(O)C(O)C(=O)O;FEWJPZIEWOKRBE-UHFFFAOYSA-N;150.09;-2.12;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_P2";;;;;;;-1.34;;-8.84;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM396717;MM396717;COC(C#CC=NN)CF;UYWDPCZTGGPOJN-UHFFFAOYSA-N;144.15;-0.08;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_Nd";;;;;;;0.87;;-1.88;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM396718;MM396718;NN=C(OC=CF)C(=O)O;KRIOYEKPSNGWHJ-UHFFFAOYSA-N;148.09;-0.2;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_C5";;;;;;;0.54;;-5.58;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM396719;MM396719;CC=NNC=C(C=O)CF;KYACSKQYUMSAPN-UHFFFAOYSA-N;144.15;0.63;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nd_Na";;;;;;;0.87;;-1.88;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM396720;MM396720;C=Cn1nnc(O)c1F;QKMFQAMQPXMAOP-UHFFFAOYSA-N;129.09;0.22;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP2_SNa";;;;;;;-0.24;;-7.79;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM396721;MM396721;CN(C)C(CO)=NNC=O;VAVJISIGQNJDGH-UHFFFAOYSA-N;145.16;-1.4;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_P2";;;;;;;-1.06;;-3.82;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM396722;MM396722;CCc1nc(=O)onc1O;MPXKOUJCAKKATP-UHFFFAOYSA-N;142.11;-0.3;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP1_SP3";;;;;;;-1.93;;-8.87;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM396723;MM396723;C=Cc1[nH]c(NC)cc1N;UFGJSPUPICASIG-UHFFFAOYSA-N;137.19;1.28;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNd_SNd";;;;;;;0.87;;-2.11;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM396724;MM396724;CCC(O)CCCC=CF;BSBJINFNMWBNMJ-UHFFFAOYSA-N;146.21;2.41;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda_C3";;;;;;;2.57;;0.44;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM396725;MM396725;CCC(=NNC=O)N(C)O;PNUXLIZTIBAZSA-UHFFFAOYSA-N;145.16;-0.22;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_P3";;;;;;;-0.33;;-2.01;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM396726;MM396726;Oc1cc(CF)n[nH]1;VDXWLWFUMTWHMP-UHFFFAOYSA-N;116.1;0.58;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP1_SNda";;;;;;;0.04;;-7.32;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM396727;MM396727;CN(N)C(CF)=NOC=O;YHNASJOJSNWOLT-UHFFFAOYSA-N;149.13;-0.75;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_Na";;;;;;;-0.24;;-3.24;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM396728;MM396728;N#CC(=NO)C1CN1;ZYFDIMAIYPALJJ-UHFFFAOYSA-N;111.1;-0.69;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_SP2";;;;;;;-1.34;;-8.84;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM396729;MM396729;CCC1=C(C)C2(O)CC1C2;BXKISAYIQMZHDE-UHFFFAOYSA-N;138.21;1.87;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC1_SNda";;;;;;;2.91;;0.57;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM396730;MM396730;O=CCCNC(=O)C(=O)O;LSTHHZUKTNJPBK-UHFFFAOYSA-N;145.11;-1.22;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_P2";;;;;;;-1.06;;-8.35;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM396731;MM396731;CN(O)C(=NOC=O)NO;KLWHPVYTCZJMNJ-UHFFFAOYSA-N;149.11;-1.27;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_P1";;;;;;;-1.06;;-3.82;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM396732;MM396732;CN=c1oc(=O)cnn1C;QTDZCPAJXZUNAV-UHFFFAOYSA-N;141.13;-1.1;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP1_SP3";;;;;;;-1.93;;-4.72;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM396733;MM396733;C#CCC=C(OC)C(C)O;IUGHVROGTKZKEN-UHFFFAOYSA-N;140.18;0.92;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_P1";;;;;;;0.81;;-0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM396734;MM396734;CCC(O)CCCC=NN;JSYWFVSJBJUWFG-UHFFFAOYSA-N;144.22;0.87;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda_Nd";;;;;;;0.87;;-1.92;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM396735;MM396735;CC1NC2(C#N)CC2C1=O;DDMJQEHJTIREKB-UHFFFAOYSA-N;136.15;-0.17;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP1_SP1";;;;;;;-0.79;;-3.13;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM396736;MM396736;CN=c1oc(=O)cnn1N;VARWDDHPEDVWLN-UHFFFAOYSA-N;142.12;-1.92;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP2_SP3";;;;;;;-2.2;;-5.19;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM396737;MM396737;C=CC(=CCCN)C(C)C;IPOCZCZCARJWEN-UHFFFAOYSA-N;139.24;2.1;;;;;DOPC;MDCG;27;1;"MARTINI bead: C3_C5";;;;;;;3.34;;0.35;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM396738;MM396738;NN=CNOCC(F)=CF;PYXQOJTYPHHNLZ-UHFFFAOYSA-N;151.12;0.19;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_Nda";;;;;;;0.04;;-2.73;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM396739;MM396739;C=CC(=CCCO)C(C)C;NUYVRECESLAXGE-UHFFFAOYSA-N;140.23;2.14;;;;;DOPC;MDCG;27;0;"MARTINI bead: C3_C5";;;;;;;3.34;;0.48;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM396740;MM396740;COC=NNC=C(C)C#N;RQOIPKNRKPGKIG-UHFFFAOYSA-N;139.16;0.59;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_N0";;;;;;;0.34;;-1.53;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM396741;MM396741;CC(O)C(C=O)=CCCO;RAELWNBIMOEANO-UHFFFAOYSA-N;144.17;-0.13;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_Nda";;;;;;;0.04;;-2.73;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM396742;MM396742;NN=c1oc(=O)cnn1O;LWFDPOQOZYVLCR-UHFFFAOYSA-N;144.09;-2.15;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP3_SP2";;;;;;;-2.2;;-5.19;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM396743;MM396743;CC(O)C(C=O)=CCCF;ZFLJEERFLSYBRN-UHFFFAOYSA-N;146.16;0.85;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_C5";;;;;;;0.81;;-0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM396744;MM396744;C=NN(C=NN)C(C)CC;HYXDGNLAVZJJCE-UHFFFAOYSA-N;142.21;0.6;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_P1";;;;;;;0.81;;-0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM396745;MM396745;C=CC(=CCNC)C(C)C;WMBOOQACZWJOMC-UHFFFAOYSA-N;139.24;1.97;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1_C1";;;;;;;2.08;;-0.74;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM396746;MM396746;C=NN(C=NN)C(C)CF;POURXDOMLOTBPA-UHFFFAOYSA-N;146.17;0.16;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_P1";;;;;;;0.04;;-2.54;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM396747;MM396747;CNCC=C(C=O)C(C)C;KBYOFPMFMWLVNP-UHFFFAOYSA-N;141.21;0.99;;;;;DOPC;MDCG;27;1;"MARTINI bead: C4_P2";;;;;;;1.09;;-2.37;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM396748;MM396748;CNc1nn(C)ncc1=O;YOSJGDRZXHTUCB-UHFFFAOYSA-N;140.15;-0.78;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP1_SP3";;;;;;;-1.93;;-4.72;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM396749;MM396749;CCNC=C(C=O)C(C)C;JSLKNSKOSKVZJZ-UHFFFAOYSA-N;141.21;1.33;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_C4";;;;;;;1.37;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM396750;MM396750;C=CC(C)N(C=NN)N=C;ZMVMOFKJXOMGRB-UHFFFAOYSA-N;140.19;0.38;;;;;DOPC;MDCG;27;0;"MARTINI bead: N0_P1";;;;;;;0.34;;-1.53;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM396751;MM396751;C=CC(=NNCC)C(C)C;LAWVSPKDHLHZIM-UHFFFAOYSA-N;140.23;1.79;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_C5";;;;;;;0.81;;-0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM396752;MM396752;C#CC(C=CC)C(O)CC;MZHKGPSTLPDEFR-UHFFFAOYSA-N;138.21;1.58;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda_C3";;;;;;;2.57;;0.44;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM396753;MM396753;C#Cc1c[nH]c(C=C)c1N;OMGSAJSRCJKRAF-UHFFFAOYSA-N;132.17;1.22;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNd_SNd";;;;;;;0.87;;-2.11;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM396754;MM396754;CNN(C=NN)C(=N)CF;YWNYAHCVFVVAGT-UHFFFAOYSA-N;147.16;-0.73;;;;;DOPC;MDCG;27;0;"MARTINI bead: P4_Na";;;;;;;-1.19;;-4.76;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM396755;MM396755;C=CC(=NNCC)C(C)F;JDTPSSNCDMWQBJ-UHFFFAOYSA-N;144.19;1.5;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_C5";;;;;;;0.81;;-0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM396756;MM396756;C=NN(C=NN)C(=N)CF;SDNLOYZSHVKQEO-UHFFFAOYSA-N;145.14;-0.25;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_Na";;;;;;;-0.24;;-3.24;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM396757;MM396757;C=CCC1NC1C(=O)CC;XQEUTDOWASJBQE-UHFFFAOYSA-N;139.2;0.88;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_SNd";;;;;;;0.87;;-1.88;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM396758;MM396758;C=NN(C=NN)C(=N)OC;UFGBRLNFWYFRFT-UHFFFAOYSA-N;143.15;-0.61;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_P1";;;;;;;-0.79;;-3.13;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM396759;MM396759;NN=CNOCOC=NN;ZVZTXEVVTJUYKY-UHFFFAOYSA-N;147.14;-1.71;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_P2";;;;;;;-1.06;;-3.82;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM396760;MM396760;C#CCNC(C=O)CC#N;JRCFJWRZFFGUHU-UHFFFAOYSA-N;136.15;-0.31;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_P2";;;;;;;-0.24;;-3.24;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM396761;MM396761;CC=NOCCC#CC#N;UWAJIYRKNJWOIK-UHFFFAOYSA-N;136.15;0.93;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_N0";;;;;;;1.17;;-1.18;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM396762;MM396762;CNc1nn(O)cnc1=O;BXVFNTCJXMFLFQ-UHFFFAOYSA-N;142.12;-1.08;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP1_SP4";;;;;;;-2.01;;-5.13;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM396763;MM396763;CCC=NN=CNCC#N;KGROHQBSPAEUQU-UHFFFAOYSA-N;138.17;0.52;;;;;DOPC;MDCG;27;0;"MARTINI bead: C3_P2";;;;;;;1.46;;-0.15;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM396764;MM396764;O=c1ncn(O)nc1NO;UZYVURXJXXNVQI-UHFFFAOYSA-N;144.09;-1.32;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP2_SP4";;;;;;;-2.29;;-5.95;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM396765;MM396765;NN=C1CCC(=NN)ON1;DDNUZPXTWGOJAK-UHFFFAOYSA-N;143.15;-1.15;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP1_SP1";;;;;;;-0.79;;-3.13;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM396766;MM396766;CNc1nn(C)nnc1=N;PBTINLGHONEHLH-UHFFFAOYSA-N;140.15;-1.27;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP1_SP2";;;;;;;-1.06;;-3.82;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM396767;MM396767;CCc1ncc(NC)nn1;WMRPACZEOOOZBG-UHFFFAOYSA-N;138.17;0.48;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP1_SP1";;;;;;;-0.79;;-3.13;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM396768;MM396768;Cn1nnc(=N)c(NN)n1;LPPKTXNOSFOXJY-UHFFFAOYSA-N;141.14;-2.02;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP2_SP2";;;;;;;-1.34;;-4.31;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM396769;MM396769;C=CCC=C(C=O)C(C)C;OFPZTOKPFAZUMC-UHFFFAOYSA-N;138.21;2.34;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4_C4";;;;;;;3.53;;0.53;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM396770;MM396770;CCCCN(C=NN)OC;CNWARTIMWUGMGJ-UHFFFAOYSA-N;145.21;0.55;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_P1";;;;;;;0.81;;-0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM396771;MM396771;CC(C)C(C#N)=CCC#N;IMXHZRRBZGTOCC-UHFFFAOYSA-N;134.18;2.01;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_P1";;;;;;;0.81;;-0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM396772;MM396772;C=CCCN(C=NN)N=C;VTUOLAAQBWHWQY-UHFFFAOYSA-N;140.19;0.38;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_N0";;;;;;;0.34;;-1.53;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM396773;MM396773;C=CCC=C(C=O)C(C)O;CBLIKDFKWQASGS-UHFFFAOYSA-N;140.18;1.07;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_C4";;;;;;;1.09;;-0.38;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM396774;MM396774;CON(C=NN)CC=CF;GSJRYYDYPOICSX-UHFFFAOYSA-N;147.15;0.24;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4_P3";;;;;;;0.23;;-1.03;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM396775;MM396775;CC(O)C(C#N)=CCC#N;ZGKKVTBBTHINHN-UHFFFAOYSA-N;136.15;0.73;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda_P1";;;;;;;0.04;;-2.73;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM396776;MM396776;Cn1nnc(=O)c(NO)n1;QRQKQJCMEHIRDN-UHFFFAOYSA-N;143.11;-1.63;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP4_SP2";;;;;;;-2.29;;-5.95;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM396777;MM396777;C=CCC=C(C=O)C(C)F;IBRCGFCPMHEJLT-UHFFFAOYSA-N;142.17;2.05;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_C3";;;;;;;2.57;;0.45;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM396778;MM396778;C=NN(C=NN)CC=NN;HXYAYIUOMFMNMY-UHFFFAOYSA-N;142.17;-1.25;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_P2";;;;;;;-1.06;;-3.82;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM396779;MM396779;CC(C)C(C#N)=CNC=N;DPWHOAIQWUBBGQ-UHFFFAOYSA-N;137.19;1.25;;;;;DOPC;MDCG;27;1;"MARTINI bead: C4_P3";;;;;;;0.23;;-3.81;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM396780;MM396780;Cn1ccc(=O)c(=NO)o1;ZQEOAGJMDCCYHC-UHFFFAOYSA-N;142.11;-0.73;;;;;DOPC;MDCG;27;0;"MARTINI bead: SN0_SP2";;;;;;;0.06;;-2.21;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM396781;MM396781;CC(C)C(C=O)=CNC=O;QFZQWFGUGBFGLS-UHFFFAOYSA-N;141.17;0.47;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_N0";;;;;;;0.06;;-2.21;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM396782;MM396782;CC#CCN(C=NN)OC;NBPNJQGSBJDWNM-UHFFFAOYSA-N;141.17;-0.22;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4_P3";;;;;;;0.23;;-1.03;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM396783;MM396783;CC(O)C(C#N)=CNC=N;AGRBCFPVMRCSPN-UHFFFAOYSA-N;139.16;-0.03;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1_P1";;;;;;;-0.79;;-5.75;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM396784;MM396784;C=NN(C=NN)CC#CC;APDPOGSCSQMHHW-UHFFFAOYSA-N;138.17;-0.17;;;;;DOPC;MDCG;27;0;"MARTINI bead: N0_P1";;;;;;;0.34;;-1.53;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM396785;MM396785;CC(O)C(C=O)=CNC=O;PBNZZNVPOQLAHT-UHFFFAOYSA-N;143.14;-0.8;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_P2";;;;;;;-1.34;;-4.31;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM396786;MM396786;CON(C=CCF)C=NN;SNSBMIVQIOIWHK-UHFFFAOYSA-N;147.15;0.24;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_P1";;;;;;;0.04;;-2.54;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM396787;MM396787;CC(O)C(C#N)=CNC=O;KRYPIYNHYHZUBN-UHFFFAOYSA-N;140.14;-0.48;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda_P3";;;;;;;-1.1;;-3.97;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM396788;MM396788;O=c1ccn(O)oc1=NO;KGRZBYJAWKXFSP-UHFFFAOYSA-N;144.09;-1.03;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP2_SP1";;;;;;;-1.06;;-3.82;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM396789;MM396789;C=CC(=CNC=N)C(C)F;PGTGTIRZWYWOLB-UHFFFAOYSA-N;142.18;1.61;;;;;DOPC;MDCG;27;1;"MARTINI bead: C3_P3";;;;;;;0.6;;-4.1;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM396790;MM396790;CNN(C=NN)C=NC=N;YDBUYSGNEKPZIC-UHFFFAOYSA-N;142.17;-1.04;;;;;DOPC;MDCG;27;0;"MARTINI bead: P4_P2";;;;;;;-2.29;;-5.95;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM396791;MM396791;C=CC(=CNC=O)C(C)F;RFESOZBUOQMTFF-UHFFFAOYSA-N;143.16;1.16;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1_P3";;;;;;;0.94;;0.03;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM396792;MM396792;Cn1ncc(=O)c(=NO)o1;KCPAEHKPMOWDBX-UHFFFAOYSA-N;143.1;-1.34;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP2_SP2";;;;;;;-1.34;;-4.31;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM396793;MM396793;N#CC(=CNC=N)C(F)F;NPTOHFKRYDZVDS-UHFFFAOYSA-N;145.11;0.86;;;;;DOPC;MDCG;27;1;"MARTINI bead: N0_P1";;;;;;;0.34;;-3.83;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM396794;MM396794;C=CC=NN(C=NN)CC;LYYLMEFFEAFUTR-UHFFFAOYSA-N;140.19;0.38;;;;;DOPC;MDCG;27;0;"MARTINI bead: N0_P1";;;;;;;0.34;;-1.53;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM396795;MM396795;CC1CC(C)(O)C1;LDLCPCMYFDWVHY-UHFFFAOYSA-N;100.16;1.17;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC4_SNda";;;;;;;2.2;;0.49;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM396796;MM396796;Cn1cnc(=N)c(=NO)o1;LYDOBMIFWXATQX-UHFFFAOYSA-N;142.12;-1.22;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP2_SP3";;;;;;;-2.2;;-5.19;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM396797;MM396797;O=CN1CC(=O)C1;ZZSDQSYSCFALIH-UHFFFAOYSA-N;99.09;-0.97;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP1_SP3";;;;;;;-1.93;;-4.72;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM396798;MM396798;C=NN(C=COC)C=NN;VSNBTLKEFVDYQH-UHFFFAOYSA-N;142.16;-0.08;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_P2";;;;;;;-0.24;;-3.24;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM396799;MM396799;C=COC=C(C=O)C(C)C;UZAAIZJYXYANTK-UHFFFAOYSA-N;140.18;1.89;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4_P1";;;;;;;1.37;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM396800;MM396800;C=NN(C=NN)C=NC=N;YBGAJICNKKVWGN-UHFFFAOYSA-N;140.15;-0.56;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_P1";;;;;;;-0.79;;-3.13;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM396801;MM396801;CC(C)C(C=O)=COC=O;LMNXUWQMZZROQD-UHFFFAOYSA-N;142.15;0.9;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4_P1";;;;;;;1.37;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM396802;MM396802;C=NN(C=NN)C=NC=O;WHOAHYREBZPUQM-UHFFFAOYSA-N;141.13;-1.01;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_P1";;;;;;;-0.79;;-3.13;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM396803;MM396803;C=COC=C(C#N)C(C)O;QTBKUXDHXPHMFY-UHFFFAOYSA-N;139.15;0.93;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_C5";;;;;;;0.81;;-0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM396804;MM396804;N=c1ncn(O)oc1=NO;LXKLKPSBHXLQPO-UHFFFAOYSA-N;144.09;-1.52;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP3_SP2";;;;;;;-2.2;;-5.19;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM396805;MM396805;C=CC(=NNC=O)C(C)C;POQCMMRKUNSPJJ-UHFFFAOYSA-N;140.19;0.93;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1_P4";;;;;;;0.85;;-0.64;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM396806;MM396806;Cn1cnc(=O)c(=NN)o1;CYWFOFDVYQBIOS-UHFFFAOYSA-N;142.12;-1.85;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP2_SP3";;;;;;;-2.2;;-5.19;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM396807;MM396807;CC(O)C(C=O)=NNC=O;XWAOACOQIIEZFC-UHFFFAOYSA-N;144.13;-1.33;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_P1";;;;;;;-0.79;;-3.13;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM396808;MM396808;Cn1cnc(=O)c(=NO)o1;AMESLMZTYROIES-UHFFFAOYSA-N;143.1;-1.34;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP2_SP3";;;;;;;-2.2;;-5.19;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM396809;MM396809;CNN=CC(=O)C=O;CWIJZHVYIIKOPT-UHFFFAOYSA-N;114.1;-1.04;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_Na";;;;;;;-0.24;;-3.24;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM396810;MM396810;C=NN=CN(C=NN)N=C;VYVDHANXYFACCQ-UHFFFAOYSA-N;140.15;-0.55;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_N0";;;;;;;0.06;;-2.21;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM396811;MM396811;CNc1ccc(C)[nH]1;UQYMXKGWSOYHGE-UHFFFAOYSA-N;110.16;1.36;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNd_SNd";;;;;;;0.87;;-2.11;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM396812;MM396812;C#CC=CN(C=NN)N=C;PUASQQREHKXIOB-UHFFFAOYSA-N;136.16;-0.05;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_N0";;;;;;;0.34;;-1.53;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM396813;MM396813;O=CNN=C(C=O)C(F)F;BFCOUJRWHCVOBO-UHFFFAOYSA-N;150.08;-0.45;;;;;DOPC;MDCG;27;0;"MARTINI bead: N0_P1";;;;;;;0.34;;-1.53;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM396814;MM396814;NN=c1on(O)cnc1=O;YVFROLSBPSFMIB-UHFFFAOYSA-N;144.09;-2.15;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP3_SP2";;;;;;;-2.2;;-5.19;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM396815;MM396815;C=CCN=C(C#N)N(C)C;DIVMOGYGKLNFDS-UHFFFAOYSA-N;137.19;0.66;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_C5";;;;;;;0.81;;-0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM396816;MM396816;O=c1ncn(O)oc1=NO;NCMMURFVDJGRCB-UHFFFAOYSA-N;145.07;-1.64;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP2_SP3";;;;;;;-2.2;;-5.19;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM396817;MM396817;C=CC1(O)CC(C)(C)C1;RNAMMONUGMZJEL-UHFFFAOYSA-N;126.2;1.72;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC3_SNda";;;;;;;2.57;;0.44;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM396818;MM396818;Cn1nnc(=N)c(=NN)o1;TVNRBDRSQHGYRF-UHFFFAOYSA-N;142.12;-2.34;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP2_SP2";;;;;;;-1.34;;-4.31;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM396819;MM396819;CN(O)C(C#N)=NCC=O;YMXKVVIEUUKEKT-UHFFFAOYSA-N;141.13;-0.57;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_Na";;;;;;;-0.24;;-3.24;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM396820;MM396820;Cn1nnc(=N)c(=NO)o1;YKNPHCKNGWHFLS-UHFFFAOYSA-N;143.11;-1.82;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP2_SP2";;;;;;;-1.34;;-4.31;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM396821;MM396821;CC(C)(C)C1(C)CC1O;YBLYYULTAUDPBB-UHFFFAOYSA-N;128.22;1.8;;;;;DOPC;MDCG;27;0;"MARTINI bead: C3_SNda";;;;;;;2.57;;0.44;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM396822;MM396822;Cn1nnc(=O)c(=NN)o1;RGMLDLKGMXYJFZ-UHFFFAOYSA-N;143.11;-2.46;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP2_SP2";;;;;;;-1.34;;-4.31;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM396823;MM396823;CC1C(O)C1C(C)(C)C;GHUVRAKBOPJBAN-UHFFFAOYSA-N;128.22;1.66;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNda_C3";;;;;;;2.57;;0.44;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM396824;MM396824;Cn1nnc(=O)c(=NO)o1;JPJFWPXMAQURLO-UHFFFAOYSA-N;144.09;-1.94;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP2_SP2";;;;;;;-1.34;;-4.31;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM396825;MM396825;C#CCC=C(C=O)C(C)O;RIENCMNBRQMGGE-UHFFFAOYSA-N;138.17;0.52;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_N0";;;;;;;0.34;;-1.53;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM396826;MM396826;C=c1ccc(=N)[nH]c1=CC;UBKZCYBKVDHNMV-UHFFFAOYSA-N;134.18;-0.3;;;;;DOPC;MDCG;27;1;"MARTINI bead: SNd_SC5";;;;;;;1.64;;-4.93;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM396827;MM396827;C#CCN=C(C=O)N(C)C;XJDDBWSKSMTFQG-UHFFFAOYSA-N;138.17;-0.22;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_N0";;;;;;;0.06;;-2.21;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM396828;MM396828;C=c1ccc(=O)[nH]c1=CC;ZMXDENYBMDHEDA-UHFFFAOYSA-N;135.17;-0.41;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC5_SP1";;;;;;;0.81;;-0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM396829;MM396829;C#CCN=C(C#N)N(C)C;VNFSPFDWZAMLME-UHFFFAOYSA-N;135.17;0.1;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_N0";;;;;;;0.34;;-1.53;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM396830;MM396830;C=c1ccc(=O)[nH]c1=CF;PWNYYQNXLCUXLS-UHFFFAOYSA-N;139.13;-0.51;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNa_SP1";;;;;;;0.04;;-2.54;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM396831;MM396831;CC1=CCC(C)(CO)C1;HVQZPQYNDKDNCN-UHFFFAOYSA-N;126.2;1.73;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC4_SC5";;;;;;;2.97;;0.45;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM396832;MM396832;C=c1ccc(=C)c(=NC)[nH]1;WIRXQHVUSYNSDE-UHFFFAOYSA-N;134.18;-0.63;;;;;DOPC;MDCG;27;1;"MARTINI bead: SC5_SNd";;;;;;;1.64;;-4.39;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM396833;MM396833;C#CC(=CCCF)C(C)N;RCZHGZPXSQGEAG-UHFFFAOYSA-N;141.19;1.25;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1_C4";;;;;;;1.37;;-1.96;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM396834;MM396834;C=c1ccc(=C)c(=NN)[nH]1;OYWSOINRHOXRCA-UHFFFAOYSA-N;135.17;-1.39;;;;;DOPC;MDCG;27;1;"MARTINI bead: SNd_SNd";;;;;;;0.87;;-4.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM396835;MM396835;C#CC(=CCNC)C(C)C;QFWCQARBAWZAKB-UHFFFAOYSA-N;137.23;1.42;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1_C3";;;;;;;1.74;;-1.54;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM396836;MM396836;C#CC=NN(C=C)C=NN;RIHPPRVJMBGJPT-UHFFFAOYSA-N;136.16;-0.05;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_N0";;;;;;;0.34;;-1.53;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM396837;MM396837;C=CC(=C)CC1(O)CC1;ZGEICOMBWQFOJP-UHFFFAOYSA-N;124.18;1.64;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP1_C3";;;;;;;1.74;;0.29;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM396838;MM396838;C=c1cnc(=N)[nH]c1=CC;PTAGEHQLLOMWAS-UHFFFAOYSA-N;135.17;-0.9;;;;;DOPC;MDCG;27;1;"MARTINI bead: SP1_SP1";;;;;;;-0.79;;-8.88;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM396839;MM396839;C#CC(=NOCC)C(C)N;ORFMUXFBWPRCAQ-UHFFFAOYSA-N;140.19;0.36;;;;;DOPC;MDCG;27;1;"MARTINI bead: N0_P1";;;;;;;0.34;;-2.62;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM396840;MM396840;C=c1cnc(=O)[nH]c1=CC;ZXQPDXOAOGRVFB-UHFFFAOYSA-N;136.15;-1.02;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP2_SP1";;;;;;;-1.06;;-3.82;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM396841;MM396841;C=NN1CC1(C)C(C)=O;ZPGNRRBIGGANQS-UHFFFAOYSA-N;126.16;0.27;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_SP1";;;;;;;0.04;;-2.54;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM396842;MM396842;C=c1cnc(=O)[nH]c1=CF;HCLGLBMPHDMBHN-UHFFFAOYSA-N;140.12;-1.11;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP1_SP2";;;;;;;-1.06;;-3.82;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM396843;MM396843;C#CC(=CNC=O)C(C)C;IQKAMFYFXCDFOU-UHFFFAOYSA-N;137.18;0.91;;;;;DOPC;MDCG;27;0;"MARTINI bead: C3_P3";;;;;;;0.6;;-0.8;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM396844;MM396844;C=c1cnc(=N)c(=CC)o1;AWITXVRWQPBABE-UHFFFAOYSA-N;136.15;-0.64;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP1_SNda";;;;;;;0.04;;-2.73;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM396845;MM396845;C#CC(=CNC=N)C(C)N;KZJRUSAPFSVSPS-UHFFFAOYSA-N;137.19;0.05;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1_P1";;;;;;;-0.79;;-6.31;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM396846;MM396846;C=c1cnc(=N)c(=CF)o1;JWWQQHZEQWLGBK-UHFFFAOYSA-N;140.12;-0.73;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP1_SP1";;;;;;;-0.79;;-3.13;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM396847;MM396847;C#CC(=CNC=N)C(C)O;PPQHIUSGIFEOTB-UHFFFAOYSA-N;138.17;0.08;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1_P1";;;;;;;-0.79;;-6.21;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM396848;MM396848;C=c1cnc(=O)c(=CC)o1;QXIYLNTUHNFHKC-UHFFFAOYSA-N;137.14;-0.75;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP1_SNa";;;;;;;0.04;;-2.54;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM396849;MM396849;C#CC(=CNC=O)C(C)O;VFQDIXVZZKUWHW-UHFFFAOYSA-N;139.15;-0.37;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda_P3";;;;;;;-1.1;;-3.97;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM396850;MM396850;C=c1cnc(=O)c(=CN)o1;KCYVGDOUMKXJHA-UHFFFAOYSA-N;138.13;-1.86;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP2_SP1";;;;;;;-1.06;;-3.82;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM396851;MM396851;C#CC(=CNC=N)C(F)F;MILNYGXXOLBYLV-UHFFFAOYSA-N;144.12;0.97;;;;;DOPC;MDCG;27;1;"MARTINI bead: N0_P1";;;;;;;0.34;;-4.31;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM396852;MM396852;C=c1cnc(=O)c(=CF)o1;RUSVQOTWNSUUDF-UHFFFAOYSA-N;141.1;-0.85;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP1_SP1";;;;;;;-0.79;;-3.13;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM396853;MM396853;C#CC(=NCC=C)N(C)C;CPZWPDVZYAPXBU-UHFFFAOYSA-N;136.2;0.77;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1_C5";;;;;;;0.81;;-2.45;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM396854;MM396854;C#CC=NN(C=N)C=NN;CCEDCMCTYAHLAV-UHFFFAOYSA-N;137.15;-0.58;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_Nd";;;;;;;-0.24;;-3.16;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM396855;MM396855;CNc1nc(=O)n(N)o1;DPXUVNRYBPAWNR-UHFFFAOYSA-N;130.11;-1.41;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNda_SP3";;;;;;;-1.1;;-3.97;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM396856;MM396856;CNc1nc(N)c[nH]c1=O;ZCFAILCULSRYNJ-UHFFFAOYSA-N;140.15;-0.61;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_SP4";;;;;;;-2.29;;-5.95;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM396857;MM396857;CC1NN=C(C=O)C1C;UNGLWHOWOQTPLZ-UHFFFAOYSA-N;126.16;0.17;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP1_SP1";;;;;;;-0.79;;-3.13;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM396858;MM396858;NNc1[nH]c(=O)cnc1O;FMTXPAAOFKEITP-UHFFFAOYSA-N;142.12;-1.24;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNd_SP3";;;;;;;-1.1;;-3.93;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM396859;MM396859;C#CCC=C(C#C)C(C)N;RSFRKPKPLQMRMR-UHFFFAOYSA-N;133.19;0.92;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1_C3";;;;;;;1.74;;-1.35;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM396860;MM396860;Cc1coc(=O)c(=NN)o1;ACQKZWZRELCRAF-UHFFFAOYSA-N;142.11;-0.68;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP1_SP1";;;;;;;-0.79;;-3.13;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM396861;MM396861;C=C(C)C(=CCCF)CN;VHMNOYHOMQPUQX-UHFFFAOYSA-N;143.21;1.81;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_C5";;;;;;;1.64;;-2.09;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM396862;MM396862;Cc1coc(=O)c(=NO)o1;GRRAGNNVCWFOIS-UHFFFAOYSA-N;143.1;-0.17;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP1_SP2";;;;;;;-1.06;;-3.82;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM396863;MM396863;CC(=O)C(=CCCO)CO;WLXQSYOPCYSLSH-UHFFFAOYSA-N;144.17;-0.12;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_Nda";;;;;;;-0.24;;-3.31;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM396864;MM396864;CNN=C(C=O)C=CC#N;YFGIIOPFHPYNDH-UHFFFAOYSA-N;137.14;-0.16;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_N0";;;;;;;0.34;;-1.53;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM396865;MM396865;Nc1coc(=O)c(=NO)o1;KNAYXZPXBAMMLI-UHFFFAOYSA-N;144.09;-0.9;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP2_SP2";;;;;;;-1.34;;-4.31;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM396866;MM396866;CC(=O)C(=CCCF)CF;IVQKJXYQHABZGP-UHFFFAOYSA-N;148.15;1.83;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_C4";;;;;;;1.37;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM396867;MM396867;CCONC(=O)C(C)=O;LJBDDGGAHLOTNO-UHFFFAOYSA-N;131.13;-0.36;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_P3";;;;;;;-0.33;;-6.09;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM396868;MM396868;C=Cc1cc(NC)c[nH]1;YDTAJEHYHKKERJ-UHFFFAOYSA-N;122.17;1.7;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNd_SNd";;;;;;;0.87;;-2.11;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM396869;MM396869;O=Cn1ncc(O)n1;AVDQPCUKKYYQRO-UHFFFAOYSA-N;113.08;-0.98;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP2_SP2";;;;;;;-1.34;;-8.85;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM396870;MM396870;C=C(F)C(=CCCN)CC;IAGXGFYLUZAMJV-UHFFFAOYSA-N;143.21;2.15;;;;;DOPC;MDCG;27;1;"MARTINI bead: C1_P1";;;;;;;2.08;;-1.14;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM396871;MM396871;NN=c1oc(F)coc1=O;BTYFFUZXIRXZEG-UHFFFAOYSA-N;146.08;-0.85;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNa_SP1";;;;;;;0.04;;-2.54;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM396872;MM396872;C=C(F)C(=CCCO)CN;DQXVKQGIPMPVTO-UHFFFAOYSA-N;145.18;0.74;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nda_P1";;;;;;;0.04;;-4.84;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM396873;MM396873;CCC(F)C(=NN)N(C)N;KRUJHWXUIBDPMY-UHFFFAOYSA-N;148.19;-0.19;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_P2";;;;;;;0.54;;-1.09;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM396874;MM396874;C=C(F)C(=CCCO)CO;IBGJFKSNWCNQSR-UHFFFAOYSA-N;146.16;0.77;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_C5";;;;;;;0.81;;-0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM396875;MM396875;Cc1noc(=O)c(=NO)o1;JFDRJDKXVOCHFK-UHFFFAOYSA-N;144.09;-0.77;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP1_SP2";;;;;;;-1.06;;-3.82;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM396876;MM396876;C=C(C)C(=CCNC)CC;NRLQEOHNDHMPQE-UHFFFAOYSA-N;139.24;2.12;;;;;DOPC;MDCG;27;1;"MARTINI bead: C1_P1";;;;;;;2.08;;-0.74;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM396877;MM396877;CN(N)C(COC=O)=NN;CMSMOTDEWCJSIQ-UHFFFAOYSA-N;146.15;-1.76;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_P1";;;;;;;-1.06;;-3.82;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM396878;MM396878;C=C(C)C(=CCNC)CF;OWVWWOUCQNSVGZ-UHFFFAOYSA-N;143.21;1.68;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1_C2";;;;;;;2;;-0.97;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM396879;MM396879;Nc1noc(=O)c(=NO)o1;VODUGMXOSQLGFW-UHFFFAOYSA-N;145.07;-1.5;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP3_SP2";;;;;;;-2.2;;-5.19;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM396880;MM396880;CCC(=CCOC)C(=N)N;IZFKRDMUEJIZPO-UHFFFAOYSA-N;142.2;0.91;;;;;DOPC;MDCG;27;1;"MARTINI bead: C3_P3";;;;;;;0.6;;-4.86;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM396881;MM396881;CC(F)(C#CC(=O)O)CO;PJVVAFBIBHVTQL-UHFFFAOYSA-N;146.12;-0.21;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda_P1";;;;;;;0.04;;-7.33;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM396882;MM396882;COCC=C(CO)C(=N)N;AABFHRDFKYUDOG-UHFFFAOYSA-N;144.17;-0.51;;;;;DOPC;MDCG;27;1;"MARTINI bead: Na_P4";;;;;;;-1.19;;-8.24;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM396883;MM396883;CN=C1N=CC(=CO)N=N1;DFNPIWWTLMJFRO-UHFFFAOYSA-N;138.13;0.91;;;;;DOPC;MDCG;27;0;"MARTINI bead: SN0_SNda";;;;;;;1.17;;-5.77;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM396884;MM396884;COCC=C(CF)C(=N)N;JICXZHKGWNEOBL-UHFFFAOYSA-N;146.17;0.46;;;;;DOPC;MDCG;27;1;"MARTINI bead: Na_P2";;;;;;;-0.24;;-7.28;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM396885;MM396885;NN=c1oc(F)noc1=O;NCEKEZZKKMDFLD-UHFFFAOYSA-N;147.07;-1.46;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP2_SP2";;;;;;;-1.34;;-4.31;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM396886;MM396886;CC=CCNN=CC=O;FFPAKYGKXLLXLW-UHFFFAOYSA-N;126.16;0.34;;;;;DOPC;MDCG;27;0;"MARTINI bead: C2_P1";;;;;;;2;;0.29;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM396887;MM396887;C#CCNC(=NN)C(=C)F;OFQPNBHSNDAWNZ-UHFFFAOYSA-N;141.15;-0.04;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_C5";;;;;;;0.54;;-1.09;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM396888;MM396888;COC(=CCCN)C(=N)N;GUONNDNJELRSQM-UHFFFAOYSA-N;143.19;-0.2;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1_P1";;;;;;;-0.79;;-7.55;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM396889;MM396889;N=c1ncc(=O)c(N)no1;GZEJJIGHFQKYCB-UHFFFAOYSA-N;140.1;-1.51;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP3_SP3";;;;;;;-3.07;;-6.15;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM396890;MM396890;COC(=CCCO)C(=N)N;LVMGPLTYBPYCCG-UHFFFAOYSA-N;144.17;-0.16;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1_P1";;;;;;;-0.79;;-7.54;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM396891;MM396891;NN=c1cc(F)n(N)n1N;CBMNPMYQLMULAV-UHFFFAOYSA-N;146.13;-2.37;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNa_SP3";;;;;;;-1.1;;-4.2;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM396892;MM396892;COC(=CCCO)C(N)=O;BAGXIQFSGCZISB-UHFFFAOYSA-N;145.16;-0.62;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_P1";;;;;;;-0.79;;-3.13;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM396893;MM396893;CNc1nc(=O)onc1C;RXZUEQVAHPDKLU-UHFFFAOYSA-N;141.13;-0.22;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP2_SP2";;;;;;;-1.34;;-4.31;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM396894;MM396894;CNCC=C(OC)C(=N)N;ANRJFIKBGVNIBZ-UHFFFAOYSA-N;143.19;-0.33;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nda_P3";;;;;;;-1.1;;-7.85;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM396895;MM396895;Cc1cnn(N)c(=NN)c1;AERLZXLGVXLPIZ-UHFFFAOYSA-N;139.16;-1.32;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP1_SP2";;;;;;;-1.06;;-3.82;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM396896;MM396896;CNCC=C(OC)C(N)=O;WNBOVWFCQIDRLS-UHFFFAOYSA-N;144.17;-0.78;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1_P1";;;;;;;-0.79;;-5.03;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM396897;MM396897;Cc1noc(=O)nc1NO;MFKFOODYEILEQM-UHFFFAOYSA-N;143.1;-0.46;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP3_SP2";;;;;;;-2.2;;-5.19;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM396898;MM396898;COCC=C(OC)C(=N)N;VDKYZRLZUZCBJV-UHFFFAOYSA-N;144.17;0.1;;;;;DOPC;MDCG;27;1;"MARTINI bead: Na_P2";;;;;;;-0.24;;-7.37;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM396899;MM396899;Cn1nnc(F)cc1=NN;LUDVXOCJCCJPRZ-UHFFFAOYSA-N;143.13;-1.27;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP1_SP2";;;;;;;-1.06;;-3.82;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM396900;MM396900;COCC=C(OC)C(N)=O;WZNCOMBNJNYKSG-UHFFFAOYSA-N;145.16;-0.35;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_P2";;;;;;;-0.24;;-3.24;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM396901;MM396901;CCC(=NN)N(C=N)OC;CIMVVTGRMBLRHF-UHFFFAOYSA-N;144.18;0.14;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda_P2";;;;;;;-0.24;;-3.31;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM396902;MM396902;CC(F)C(=O)NOCC=O;QBEBVSXFOIUHKJ-UHFFFAOYSA-N;149.12;-0.41;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_P3";;;;;;;-0.33;;-5.84;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM396903;MM396903;C=CC(=NN)N(C=N)OC;HJAMQMQQINXRFG-UHFFFAOYSA-N;142.16;-0.08;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_Nda";;;;;;;-0.24;;-3.31;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM396904;MM396904;CCNC=C(OC)C(=N)N;ICCRSCZILDYASX-UHFFFAOYSA-N;143.19;0.02;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1_P1";;;;;;;-0.79;;-7.39;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM396905;MM396905;CNc1nc(=O)onc1F;FCCDKHSPUBPNSD-UHFFFAOYSA-N;145.09;-0.39;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP2_SP2";;;;;;;-1.34;;-4.31;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM396906;MM396906;CCNC=C(OC)C(N)=O;HKQIHHGQNNWHPZ-UHFFFAOYSA-N;144.17;-0.43;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nd_P2";;;;;;;-0.24;;-3.16;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM396907;MM396907;C=CC(C=C)ONC=NN;PACIUXGNAPGQOP-UHFFFAOYSA-N;141.17;0.15;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_N0";;;;;;;0.34;;-1.53;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM396908;MM396908;CCOC=C(CF)C(=N)N;OCTYEJKYFPYWNR-UHFFFAOYSA-N;146.17;0.81;;;;;DOPC;MDCG;27;1;"MARTINI bead: C4_P3";;;;;;;0.23;;-4.17;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM396909;MM396909;O=c1nc(NO)c(F)no1;SEQMEJFZRNONEO-UHFFFAOYSA-N;147.07;-0.63;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP3_SP2";;;;;;;-2.2;;-5.19;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM396910;MM396910;O=COCOCC(=O)O;PPBXBWMBRUYCQV-UHFFFAOYSA-N;134.09;-0.78;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_P2";;;;;;;-1.06;;-7.89;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM396911;MM396911;Cc1c[nH]c(=N)oc1=NN;SAHZQTGOBNTFGY-UHFFFAOYSA-N;140.15;-0.83;;;;;DOPC;MDCG;27;1;"MARTINI bead: SP1_SP2";;;;;;;-1.06;;-5.17;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM396912;MM396912;C=C(C)C(CC)=NNCC;NVZDDUNQPCWYCH-UHFFFAOYSA-N;140.23;1.94;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_C4";;;;;;;1.37;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM396913;MM396913;Cc1c[nH]c(=O)oc1=NN;AOQVUBIYBWXMDT-UHFFFAOYSA-N;141.13;-0.95;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP2_SP2";;;;;;;-1.34;;-4.31;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM396914;MM396914;CC=C1CC2CC2C1O;RLUMCMQSUHXDAM-UHFFFAOYSA-N;124.18;1.33;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC5_SC4";;;;;;;2.97;;0.45;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM396915;MM396915;NN=c1oc(=O)[nH]cc1N;OXOMDWVZWAXHJG-UHFFFAOYSA-N;142.12;-1.68;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP3_SP2";;;;;;;-2.2;;-5.19;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM396916;MM396916;C#CC1(C)C=CC(C)(O)C1;LRCYEXKRBAJVDW-UHFFFAOYSA-N;136.19;1.34;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNda_SC4";;;;;;;2.2;;0.49;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM396917;MM396917;CCC(N)=C(C#N)C(=O)O;CELDFBJYISMUSL-UHFFFAOYSA-N;140.14;0.22;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nd_P1";;;;;;;0.04;;-7.24;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM396918;MM396918;CCNN=C(OC)C(=N)N;VDMVWCHFCSJQNA-UHFFFAOYSA-N;144.18;-0.51;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nda_P3";;;;;;;-1.1;;-5.1;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM396919;MM396919;Nc1n[nH]c(=O)cc1NO;VANRRAYZXTXVSM-UHFFFAOYSA-N;142.12;-0.85;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP3_SP1";;;;;;;-1.93;;-4.72;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM396920;MM396920;CC(C#CCF)C(C)(C)O;NMXBRAKJYOCNAK-UHFFFAOYSA-N;144.19;1.37;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_C5";;;;;;;1.64;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM396921;MM396921;CN(C=N)C(=O)C(=O)O;XSMKMWFHHJBAKS-UHFFFAOYSA-N;130.1;-0.86;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_P2";;;;;;;-1.34;;-8.85;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM396922;MM396922;CCON=C(CC)C(=N)N;HGWUJOLHONKJOM-UHFFFAOYSA-N;143.19;0.72;;;;;DOPC;MDCG;27;1;"MARTINI bead: C4_P3";;;;;;;0.23;;-2.07;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM396923;MM396923;Nn1[nH]c(O)c(F)c1=O;ZTHVTXZUYIYKFB-UHFFFAOYSA-N;133.08;-1.27;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP3_SNda";;;;;;;-1.1;;-8.22;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM396924;MM396924;CCON=C(CO)C(N)=O;GXMZIEFXWHJDRN-UHFFFAOYSA-N;146.15;-1.14;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda_P3";;;;;;;-1.1;;-3.97;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM396925;MM396925;Cn1[nH]nnc(=O)c1=O;GBHJAZUZXBNUBY-UHFFFAOYSA-N;128.09;-2.14;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP1_SP3";;;;;;;-1.93;;-8.88;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM396926;MM396926;C=C(F)C(CN)=NOCC;NHKBMXHJRKZBNH-UHFFFAOYSA-N;146.17;0.82;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1_C5";;;;;;;0.81;;-1.77;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM396927;MM396927;C#CC(F)=C(OC)C(=O)O;HGGRNTKYCKHSAI-UHFFFAOYSA-N;144.1;0.53;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_C5";;;;;;;0.81;;-5.1;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM396928;MM396928;C=C(C)C(=CCC=O)CF;YROHBEMJUXENOM-UHFFFAOYSA-N;142.17;2.05;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4_Na";;;;;;;2.2;;0.34;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM396929;MM396929;COc1oc(=O)oc1O;XULYOLCGSRNUBM-UHFFFAOYSA-N;132.07;-0.05;;;;;DOPC;MDCG;27;0;"MARTINI bead: P3_SP2";;;;;;;-2.2;;-9.4;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM396930;MM396930;C=CCC=C(CF)C(C)=O;WWLUGWUKIDZOTK-UHFFFAOYSA-N;142.17;2.05;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_C3";;;;;;;1.74;;0.29;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM396931;MM396931;NNc1cc(N)coc1=O;XFGSYLWYAVZBRG-UHFFFAOYSA-N;141.13;-0.49;;;;;DOPC;MDCG;27;0;"MARTINI bead: P3_SP2";;;;;;;-2.2;;-5.19;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM396932;MM396932;C=CCC=C(CN)C(=N)N;PBNBDLOUNLLMGS-UHFFFAOYSA-N;139.2;0.38;;;;;DOPC;MDCG;27;1;"MARTINI bead: C5_P3";;;;;;;-0.33;;-6.1;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM396933;MM396933;Cc1cc(=NO)c(=O)o[nH]1;AUWPUTYYIUXKOY-UHFFFAOYSA-N;142.11;-0.43;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNd_SP2";;;;;;;-0.24;;-3.16;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM396934;MM396934;C=CCC=C(CO)C(=N)N;UMMUHZOWODPWEM-UHFFFAOYSA-N;140.19;0.42;;;;;DOPC;MDCG;27;1;"MARTINI bead: P3_C5";;;;;;;-0.33;;-6.01;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM396935;MM396935;C=COCC#CC(=O)O;BAGGTHVINNVNME-UHFFFAOYSA-N;126.11;0.23;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_C5";;;;;;;0.81;;-5.1;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM396936;MM396936;N=C(N)C(=CCC=O)CO;PZYBYTRPFDVNKF-UHFFFAOYSA-N;142.16;-0.57;;;;;DOPC;MDCG;27;1;"MARTINI bead: P3_Na";;;;;;;-1.1;;-8.11;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM396937;MM396937;CNN(C=O)C(=N)CC=O;PBGONWDCQJIZQL-UHFFFAOYSA-N;143.15;-0.85;;;;;DOPC;MDCG;27;0;"MARTINI bead: P5_Na";;;;;;;-1.11;;-5.49;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM396938;MM396938;CNN=CC(=O)OC(C)C;WDAURVRMBBXGBK-UHFFFAOYSA-N;144.17;0.14;;;;;DOPC;MDCG;27;0;"MARTINI bead: P3_C3";;;;;;;0.6;;-0.8;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM396939;MM396939;CNn1cc(F)ncc1=O;ZFRPOXOOWBFDPW-UHFFFAOYSA-N;143.12;-0.44;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNa_SP3";;;;;;;-1.1;;-4.2;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM396940;MM396940;C=CCC=C(CO)C(N)=O;FZBQHOHAOQNJGO-UHFFFAOYSA-N;141.17;-0.03;;;;;DOPC;MDCG;27;0;"MARTINI bead: P3_C4";;;;;;;0.23;;-1.03;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM396941;MM396941;COn1cc(F)ncc1=N;YRTWKPLHWMQXIU-UHFFFAOYSA-N;143.12;-0.44;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP2_SNa";;;;;;;-0.24;;-3.24;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM396942;MM396942;N#CCC=C(CO)C(N)=O;CNQNWTRDVSYEQI-UHFFFAOYSA-N;140.14;-0.7;;;;;DOPC;MDCG;27;0;"MARTINI bead: P3_Nda";;;;;;;-1.1;;-3.97;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM396943;MM396943;CNn1nc(F)ccc1=N;PJIOWBNNWKSICD-UHFFFAOYSA-N;142.14;-0.33;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP2_SNa";;;;;;;-0.24;;-3.24;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM396944;MM396944;C#CC=CCC(C)(O)C=C;YBSFDLKOZFPVFM-UHFFFAOYSA-N;136.19;1.5;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda_C4";;;;;;;2.2;;0.49;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM396945;MM396945;CNn1nc(C)ccc1=O;IOQJCMHECJRVQI-UHFFFAOYSA-N;139.16;-0.27;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNa_SP2";;;;;;;-0.24;;-3.24;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM396946;MM396946;O=COC=CC(O)C(=O)O;NISXBLOLOUVQCP-UHFFFAOYSA-N;146.1;-0.88;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_P2";;;;;;;-0.24;;-7.32;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM396947;MM396947;CNn1nc(F)ccc1=O;UCQINWCSTFOOSU-UHFFFAOYSA-N;143.12;-0.44;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP2_SNa";;;;;;;-0.24;;-3.24;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM396948;MM396948;C=CCC=C(OC)C(=N)N;QWXJHQNEUHPMNF-UHFFFAOYSA-N;140.19;1.03;;;;;DOPC;MDCG;27;1;"MARTINI bead: C3_P3";;;;;;;0.6;;-4.75;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM396949;MM396949;COn1nc(F)ccc1=N;WITJYMURIZRSKQ-UHFFFAOYSA-N;143.12;-0.44;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP1_SNa";;;;;;;0.04;;-2.54;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM396950;MM396950;COC(=CCC=O)C(N)=O;IYBICXMFNDIXMU-UHFFFAOYSA-N;143.14;-0.41;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_P2";;;;;;;-0.24;;-3.24;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM396951;MM396951;COn1nc(F)ccc1=O;AZPQFQQPNLJCFA-UHFFFAOYSA-N;144.11;-0.56;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP2_SNa";;;;;;;-0.24;;-3.24;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM396952;MM396952;C=C(C)C(=CNC=N)CC;RSKHYCMVVBCTGE-UHFFFAOYSA-N;138.21;2.05;;;;;DOPC;MDCG;27;1;"MARTINI bead: C1_P3";;;;;;;0.94;;-3.35;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM396953;MM396953;CCn1nc(C)ncc1=N;GQSFUNXSLXFUTM-UHFFFAOYSA-N;138.17;0.09;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP2_SP1";;;;;;;-1.06;;-3.82;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM396954;MM396954;C=C(C)C(=CNC=O)CO;CSWUVVRFEOAXEB-UHFFFAOYSA-N;141.17;0.18;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_P3";;;;;;;-0.33;;-2.01;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM396955;MM396955;CCCONC(=O)C(C)=O;UUWDJQNVOQSCIL-UHFFFAOYSA-N;145.16;0.03;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda_P1";;;;;;;0.04;;-7.34;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM396956;MM396956;N=C(N)C(=CNC=O)CO;XLAHYCDUCBKAAZ-UHFFFAOYSA-N;143.15;-1.46;;;;;DOPC;MDCG;27;1;"MARTINI bead: P3_P3";;;;;;;-3.07;;-9.84;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM396957;MM396957;CNn1nc(C)ncc1=N;XCHRSRFZMBWERF-UHFFFAOYSA-N;139.16;-0.76;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP3_SP1";;;;;;;-1.93;;-4.72;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM396958;MM396958;CCC(O)CC(=O)C(=O)O;ALFQPWXBAWHVDP-UHFFFAOYSA-N;146.14;-0.2;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda_P2";;;;;;;-0.24;;-7.38;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM396959;MM396959;NN=C(CF)N(N)CCF;ISNRIPXEFDTYTL-UHFFFAOYSA-N;152.15;-0.63;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_P2";;;;;;;-0.24;;-3.24;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM396960;MM396960;C#CC(=C)CC(C)C(C)O;CMVVAFHAMXIKGL-UHFFFAOYSA-N;138.21;1.58;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda_C5";;;;;;;1.64;;0.05;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM396961;MM396961;CNn1nc(C)ncc1=O;RAHKWRUXWMWFBY-UHFFFAOYSA-N;140.15;-0.88;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP1_SP3";;;;;;;-1.93;;-4.72;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM396962;MM396962;C=C(C)C(=CNC=O)OC;UIWCRZBEQQMPTR-UHFFFAOYSA-N;141.17;0.8;;;;;DOPC;MDCG;27;0;"MARTINI bead: C2_P3";;;;;;;0.86;;-0.3;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM396963;MM396963;C=CCN(N)C(CF)=NN;VTUBXOCDWPKQMM-UHFFFAOYSA-N;146.17;-0.41;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_P1";;;;;;;0.04;;-2.54;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM396964;MM396964;COC(=CNC=N)C(=N)N;MWSFBOQUTTVSAJ-UHFFFAOYSA-N;142.16;-0.39;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1_P3";;;;;;;-1.93;;-8.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM396965;MM396965;O=CC(=NO)C(=O)O;FTZLKPGLKNWVFJ-UHFFFAOYSA-N;117.06;-0.9;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_P1";;;;;;;-0.79;;-7.77;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM396966;MM396966;COC(=CNC=O)C(=N)N;VUWDLNFGCVZSGI-UHFFFAOYSA-N;143.15;-0.84;;;;;DOPC;MDCG;27;1;"MARTINI bead: P3_P2";;;;;;;-2.2;;-8.96;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM396967;MM396967;N=c1cnc(F)cn1C=O;DLGULURWOSKLOI-UHFFFAOYSA-N;141.11;-0.46;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNa_SP3";;;;;;;-1.1;;-4.2;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM396968;MM396968;COC(=CN=CN)C(N)=O;RAFFOTDYIYFBNW-UHFFFAOYSA-N;143.15;-1.05;;;;;DOPC;MDCG;27;1;"MARTINI bead: P2_P2";;;;;;;-1.34;;-5.68;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM396969;MM396969;Cc1cn(C=N)c(=O)cn1;QMHVLBGGUFVQCW-UHFFFAOYSA-N;137.14;0.01;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNa_SP3";;;;;;;-1.1;;-4.2;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM396970;MM396970;C#Cc1onc(C#N)c1O;OIQYSEQCVSQSSM-UHFFFAOYSA-N;134.09;0.23;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNa_SNda";;;;;;;0.87;;-6.12;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM396971;MM396971;C=Cn1cc(F)ncc1=O;VFIYDZYXQJLUGJ-UHFFFAOYSA-N;140.12;0.48;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNa_SP2";;;;;;;-0.24;;-3.24;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM396972;MM396972;C=C(F)C(=CNC=N)OC;PCINYLZWRMLLDN-UHFFFAOYSA-N;144.15;1.15;;;;;DOPC;MDCG;27;1;"MARTINI bead: C3_P3";;;;;;;0.6;;-2.95;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM396973;MM396973;C=C(F)C(=CNC=O)OC;SNGMLABABQLFGT-UHFFFAOYSA-N;145.13;0.7;;;;;DOPC;MDCG;27;0;"MARTINI bead: C3_P3";;;;;;;0.6;;-0.8;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM396974;MM396974;N=Cn1cc(F)ncc1=O;MIYGBIVTDATOSP-UHFFFAOYSA-N;141.11;-0.16;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNa_SP3";;;;;;;-1.1;;-4.2;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM396975;MM396975;C=NNC=C(OC)C(=N)N;GWNIIPKWKBMRCU-UHFFFAOYSA-N;142.16;-0.38;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1_P1";;;;;;;-0.79;;-7.13;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM396976;MM396976;Cc1ccc(=N)n(C=O)n1;BSTVDQUEEONOCZ-UHFFFAOYSA-N;137.14;-0.29;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP1_SP2";;;;;;;-1.06;;-3.82;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM396977;MM396977;CCC(=COC=O)C(C)=O;RGEQHCAQRZOAMR-UHFFFAOYSA-N;142.15;1.04;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_P1";;;;;;;0.81;;-0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM396978;MM396978;C=Cn1nc(F)ccc1=O;HQNVYLYOVKBCKW-UHFFFAOYSA-N;140.12;0.48;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNa_SP1";;;;;;;0.04;;-2.54;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM396979;MM396979;COC(=COC=O)C(=N)N;DNWVUZLAMWSABU-UHFFFAOYSA-N;144.13;-0.42;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1_P1";;;;;;;-0.79;;-6.45;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM396980;MM396980;N=Cn1nc(F)ccc1=O;LIAWZNKPOZLQIB-UHFFFAOYSA-N;141.11;-0.16;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNa_SP2";;;;;;;-0.24;;-3.24;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM396981;MM396981;CC(C)(O)CC(=O)C(=O)O;IUCVHWOEHKADHP-UHFFFAOYSA-N;146.14;-0.2;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda_P2";;;;;;;-0.24;;-7.38;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM396982;MM396982;C=Nn1nc(C)ccc1=N;XDDQSMQERYDBHI-UHFFFAOYSA-N;136.16;0.13;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP1_SP2";;;;;;;-1.06;;-3.82;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM396983;MM396983;N=C(N)C(CN)=NNC=O;ZCKGYMWUOJMYSC-UHFFFAOYSA-N;143.15;-2.02;;;;;DOPC;MDCG;27;1;"MARTINI bead: P4_P2";;;;;;;-2.29;;-7.49;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM396984;MM396984;C=Cn1nc(C)ncc1=N;BSBVDQNWVQDZQN-UHFFFAOYSA-N;136.16;0.17;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP1_SP3";;;;;;;-1.93;;-4.72;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM396985;MM396985;N=C(N)C(CF)=NNC=O;FLQMOVRKSYXUEG-UHFFFAOYSA-N;146.13;-1.01;;;;;DOPC;MDCG;27;1;"MARTINI bead: P3_Na";;;;;;;-1.1;;-5.45;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM396986;MM396986;Cc1ncc(=N)n(C=N)n1;DFXLXOJCYHNIFY-UHFFFAOYSA-N;137.15;-0.48;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP1_SP3";;;;;;;-1.93;;-4.72;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM396987;MM396987;C=C(C=CC)CC1(O)CC1;MSWFGRRWEQMEPB-UHFFFAOYSA-N;138.21;2.03;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1_SP1";;;;;;;2.08;;0.48;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM396988;MM396988;Cc1ncc(=N)n(C=O)n1;KBKFLXMLKWILPN-UHFFFAOYSA-N;138.13;-0.9;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP1_SP3";;;;;;;-1.93;;-4.72;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM396989;MM396989;COC(=NNC=O)C(N)=O;YBNVSBITLKOXLD-UHFFFAOYSA-N;145.12;-1.82;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_P2";;;;;;;-1.34;;-4.31;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM396990;MM396990;CN=C(OC)N(N)C=NN;FTADVTJNOQXJBL-UHFFFAOYSA-N;145.17;-1.3;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_P1";;;;;;;-0.79;;-3.13;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM396991;MM396991;C=C(C)C(C)CC1(O)CC1;OPSPWHNSBUEXSY-UHFFFAOYSA-N;140.23;2.11;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1_SNda";;;;;;;2.91;;0.57;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM396992;MM396992;C#CCOCC(=O)C(=O)O;KQPYFRLHMDNOHS-UHFFFAOYSA-N;142.11;-0.71;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_Na";;;;;;;-0.24;;-7.8;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM396993;MM396993;C=C(F)C(=NNC=O)OC;QMWJRQRSNRHKQX-UHFFFAOYSA-N;146.12;0.18;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_C5";;;;;;;0.54;;-1.09;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM396994;MM396994;C=Nn1nc(C)ncc1=N;WVGOJNQBXIYJNM-UHFFFAOYSA-N;137.15;-0.47;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP1_SP3";;;;;;;-1.93;;-4.72;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM396995;MM396995;C=C(C)C(CN)=NOC=O;JLTLNKUWOTZJHH-UHFFFAOYSA-N;142.16;0.05;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_P2";;;;;;;-0.24;;-4.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM396996;MM396996;C#CC(=CC)N(N)C=NN;GVHBUKSYHKDCDX-UHFFFAOYSA-N;138.17;-0.4;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_P2";;;;;;;0.54;;-1.09;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM396997;MM396997;NC(=O)C(CO)=NOC=O;HVIHTACBCHCUHR-UHFFFAOYSA-N;146.1;-2.01;;;;;DOPC;MDCG;27;0;"MARTINI bead: P4_P1";;;;;;;-2.01;;-5.13;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM396998;MM396998;CN=c1cc(C)ccn1C;KWHODFDXKFXEBK-UHFFFAOYSA-N;136.2;0.86;;;;;DOPC;MDCG;27;1;"MARTINI bead: SN0_SN0";;;;;;;1.47;;-5.26;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM396999;MM396999;N=c1nnoc(O)c1F;LCFIRUHWHNYPEI-UHFFFAOYSA-N;131.07;-0.61;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP2_SP2";;;;;;;-1.34;;-8.39;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM397000;MM397000;Cc1ccn(C)c(=NN)c1;DSLFDUBBYPBZCS-UHFFFAOYSA-N;137.19;0.11;;;;;DOPC;MDCG;27;1;"MARTINI bead: SN0_SNd";;;;;;;1.17;;-4.19;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM397001;MM397001;C=C(C)C(=NO)NOC=O;KYBMFVXJUDSTJS-UHFFFAOYSA-N;144.13;0.03;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4_P3";;;;;;;0.23;;-1.03;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM397002;MM397002;CN=c1cc(N)ccn1C;CFLATLXAQPSPLA-UHFFFAOYSA-N;137.19;0.14;;;;;DOPC;MDCG;27;1;"MARTINI bead: SN0_SNd";;;;;;;1.17;;-6.17;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM397003;MM397003;C=C(F)C(=NOC=O)OC;DATKZRAQAVQJRT-UHFFFAOYSA-N;147.11;0.6;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_C5";;;;;;;0.81;;-0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM397004;MM397004;Cn1ccc(N)cc1=NN;PYTBRMYHXMDPEL-UHFFFAOYSA-N;138.17;-0.62;;;;;DOPC;MDCG;27;1;"MARTINI bead: SNd_SNd";;;;;;;0.87;;-5.16;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM397005;MM397005;C#CCC=C(CN)C(=C)C;ZNUVRBIJNKIJMM-UHFFFAOYSA-N;135.21;1.47;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_N0";;;;;;;1.17;;-3.24;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM397006;MM397006;Cn1ccc(O)cc1=NN;YAFBAJNSLWNGRY-UHFFFAOYSA-N;139.16;-0.49;;;;;DOPC;MDCG;27;1;"MARTINI bead: SNda_SNd";;;;;;;0.87;;-3.39;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM397007;MM397007;C#CCC=C(OC)C(=N)N;CAPQGXUOBQYLAM-UHFFFAOYSA-N;138.17;0.48;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1_N0";;;;;;;0.34;;-5.87;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM397008;MM397008;CN=c1cc(F)ccn1C;QGEREJMDTMISJB-UHFFFAOYSA-N;140.16;0.69;;;;;DOPC;MDCG;27;1;"MARTINI bead: SNa_SN0";;;;;;;1.17;;-4.25;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM397009;MM397009;C=C1CC2(CC)CC1(O)C2;NMKOWHLCIMJOIR-UHFFFAOYSA-N;138.21;1.87;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC1_SNda";;;;;;;2.91;;0.57;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM397010;MM397010;Cn1ccc(F)cc1=NO;BJUZIJQWZHRTTE-UHFFFAOYSA-N;142.13;0.45;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNda_SNa";;;;;;;0.87;;-1.99;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM397011;MM397011;C#CCCC1C(O)C1(C)C;GMJODIILMACJGD-UHFFFAOYSA-N;138.21;1.42;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNda_C5";;;;;;;1.64;;0.05;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM397012;MM397012;CN=c1cc(C)ccn1N;NEQFIONFYGRVDR-UHFFFAOYSA-N;137.19;0.04;;;;;DOPC;MDCG;27;1;"MARTINI bead: SNd_SN0";;;;;;;1.17;;-3.97;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM397013;MM397013;N#CC(=CCCF)C(=N)N;LVGWYWDBGAYJND-UHFFFAOYSA-N;141.15;0.73;;;;;DOPC;MDCG;27;1;"MARTINI bead: P2_C5";;;;;;;0.54;;-2.77;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM397014;MM397014;CNC=C(F)C(=NN)NC;DFAHZIVPAPEYIO-UHFFFAOYSA-N;146.17;-0.49;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_Nda";;;;;;;-0.24;;-3.31;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM397015;MM397015;C=CC(=CCNC)C(=C)C;MTWXKPPFKIHMTC-UHFFFAOYSA-N;137.23;1.89;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1_C1";;;;;;;2.08;;-0.77;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM397016;MM397016;CN=c1cc(N)ccn1N;XPSBBNMXTOLMDE-UHFFFAOYSA-N;138.17;-0.69;;;;;DOPC;MDCG;27;1;"MARTINI bead: SNd_SNd";;;;;;;0.87;;-4.94;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM397017;MM397017;CNCC=C(C#N)C(=N)N;IXRLLEPXVOIRIQ-UHFFFAOYSA-N;138.17;-0.41;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1_P2";;;;;;;-1.06;;-5.47;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM397018;MM397018;CNC(=NN)C(F)=COC;VFQVDLCAKRGGHJ-UHFFFAOYSA-N;147.15;-0.06;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_C5";;;;;;;0.54;;-1.09;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM397019;MM397019;CNCC=C(C#N)C(N)=O;CTIFXLHDEQVNAD-UHFFFAOYSA-N;139.16;-0.86;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1_P1";;;;;;;-0.79;;-4.24;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM397020;MM397020;CN=c1cc(O)ccn1N;YRQVHYNATJOVND-UHFFFAOYSA-N;139.16;-0.56;;;;;DOPC;MDCG;27;1;"MARTINI bead: SNda_SNd";;;;;;;0.87;;-3.19;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM397021;MM397021;COCC=C(C#N)C(=N)N;JXCNSXCNIWVKOB-UHFFFAOYSA-N;139.16;0.02;;;;;DOPC;MDCG;27;1;"MARTINI bead: Na_P2";;;;;;;-0.24;;-4.73;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM397022;MM397022;Nn1ccc(O)cc1=NO;HVNNMXUDAZMMTF-UHFFFAOYSA-N;141.13;-0.8;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP1_SNda";;;;;;;0.04;;-2.73;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM397023;MM397023;C=NNC(=N)ONC=NN;OMUKFZYVHDNACD-UHFFFAOYSA-N;144.14;-1.45;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_P1";;;;;;;-0.79;;-3.13;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM397024;MM397024;COC(C=O)CN1CC1C;LRNXOYWPELVARA-UHFFFAOYSA-N;143.19;-0.1;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_SNd";;;;;;;0.04;;-2.63;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM397025;MM397025;C=C(C)C(C=O)=CNCC;BTHBBSOMUBUHFT-UHFFFAOYSA-N;139.2;1.25;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_C5";;;;;;;0.81;;-0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM397026;MM397026;Nn1ccc(F)cc1=NO;ZLFNSTBVJWQHEU-UHFFFAOYSA-N;143.12;-0.37;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNa_SP1";;;;;;;0.04;;-2.54;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM397027;MM397027;C=CC(=CNCC)C(C)=O;SIBVNDCZCABGRI-UHFFFAOYSA-N;139.2;1.25;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_C5";;;;;;;0.81;;-0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM397028;MM397028;CN=c1cc(C)ccn1O;HMBFYDQQBFJKCG-UHFFFAOYSA-N;138.17;0.56;;;;;DOPC;MDCG;27;1;"MARTINI bead: SN0_SNda";;;;;;;1.17;;-3.64;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM397029;MM397029;C#CC(C#C)C(C)C(C)O;GPGONAFAUAJWFG-UHFFFAOYSA-N;136.19;0.89;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_C4";;;;;;;1.37;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM397030;MM397030;Cc1ccn(O)c(=NO)c1;GKATYXLGWIYXRC-UHFFFAOYSA-N;140.14;0.32;;;;;DOPC;MDCG;27;0;"MARTINI bead: SN0_SP1";;;;;;;0.34;;-1.53;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM397031;MM397031;C=C(C)C(C=O)=COCC;WZTUWVQRIIKNDZ-UHFFFAOYSA-N;140.18;1.68;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_C5";;;;;;;0.81;;-0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM397032;MM397032;CN=c1cc(N)ccn1O;KFJYNLCUPQRLJN-UHFFFAOYSA-N;139.16;-0.16;;;;;DOPC;MDCG;27;1;"MARTINI bead: SNd_SNda";;;;;;;0.87;;-4.33;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM397033;MM397033;CCOC=C(C=O)C(=N)N;RQZAIWVYGVNEAS-UHFFFAOYSA-N;142.16;0.04;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nda_P2";;;;;;;-0.24;;-4.91;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM397034;MM397034;Nc1ccn(O)c(=NO)c1;HCLHMDRTCWJNMC-UHFFFAOYSA-N;141.13;-0.4;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNd_SP1";;;;;;;0.04;;-2.63;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM397035;MM397035;CCOC=C(C=O)C(N)=O;MMRSPFMPZFCJFD-UHFFFAOYSA-N;143.14;-0.41;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda_P2";;;;;;;-0.24;;-3.31;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM397036;MM397036;CNc1nnc(=N)n(N)n1;YZYXWNRGYZKHEP-UHFFFAOYSA-N;141.14;-2.09;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP2_SP3";;;;;;;-2.2;;-5.19;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM397037;MM397037;C=CC(=NNCC)C(=C)C;LCPIHPFSDCSHPJ-UHFFFAOYSA-N;138.21;1.71;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_C5";;;;;;;0.81;;-0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM397038;MM397038;CC=CC1CC(OC)=NN1;VLFKGWXQYDEYBV-UHFFFAOYSA-N;140.19;0.88;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP1_SNd";;;;;;;0.04;;-2.63;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM397039;MM397039;C=CCC1=CC(=O)C(=N)N1;LCRNIITYWHRNGO-UHFFFAOYSA-N;136.15;0.6;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC5_SP2";;;;;;;0.54;;-1.09;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM397040;MM397040;CN=c1cc(C)ncn1C;JCDKXDYKZVOBSF-UHFFFAOYSA-N;137.19;0.26;;;;;DOPC;MDCG;27;1;"MARTINI bead: SP1_SNa";;;;;;;0.04;;-4.66;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM397041;MM397041;CC=CC1=CC(=O)C(=N)N1;COMBPSHYHDNSFQ-UHFFFAOYSA-N;136.15;0.6;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC5_SP2";;;;;;;0.54;;-1.09;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM397042;MM397042;C#CC(=O)C#CCN1CC1;FBKCSFPDZPWKSF-UHFFFAOYSA-N;133.15;-0.49;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_SP1";;;;;;;0.04;;-2.54;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM397043;MM397043;C=NOC(C(=O)O)C(F)F;SAOMOXLIRCQAFF-UHFFFAOYSA-N;153.08;0.34;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda_N0";;;;;;;1.17;;-5.25;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM397044;MM397044;CN=c1cc(N)ncn1C;KNNRYKRIPUMKTJ-UHFFFAOYSA-N;138.17;-0.47;;;;;DOPC;MDCG;27;1;"MARTINI bead: SP1_SP1";;;;;;;-0.79;;-5.19;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM397045;MM397045;C=C(C)C(C#N)=CCC=O;ODNDSRYBYGWXLO-UHFFFAOYSA-N;135.17;1.6;;;;;DOPC;MDCG;27;0;"MARTINI bead: N0_Na";;;;;;;1.17;;-1.18;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM397046;MM397046;Cn1cnc(N)cc1=NO;LJMAXUFZGQOIDB-UHFFFAOYSA-N;140.15;-0.71;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP1_SP2";;;;;;;-1.06;;-3.82;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM397047;MM397047;C=C(C)C(C=O)=CCC#N;YGEYDWICNVSALG-UHFFFAOYSA-N;135.17;1.6;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_P1";;;;;;;0.81;;-0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM397048;MM397048;Cc1c(F)on(C)c1=NN;LJKLKPVWBXPBPY-UHFFFAOYSA-N;145.14;-0.16;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNa_SP1";;;;;;;0.04;;-2.54;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM397049;MM397049;C=CCC=C(C=C)C(C)=O;PCNZUDAPLVCYTN-UHFFFAOYSA-N;136.19;2.26;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_C1";;;;;;;2.91;;0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM397050;MM397050;NN=c1on(C=O)nc1N;LZSCNFOVNAWHRR-UHFFFAOYSA-N;143.11;-2.13;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP3_SP3";;;;;;;-3.07;;-6.15;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM397051;MM397051;C=CC(=CCC#N)C(C)=O;ZLCFALJIRQPFGU-UHFFFAOYSA-N;135.17;1.6;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_P1";;;;;;;0.81;;-0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM397052;MM397052;Cc1cc(=NO)n(N)cn1;OQPLACFMBZOFCF-UHFFFAOYSA-N;140.15;-0.8;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNa_SP2";;;;;;;-0.24;;-3.24;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM397053;MM397053;N=C(N)C(C=O)=CCC=O;HSEWIHBNIVWSIS-UHFFFAOYSA-N;140.14;-0.36;;;;;DOPC;MDCG;27;1;"MARTINI bead: P2_Na";;;;;;;-0.24;;-5.72;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM397054;MM397054;Cn1oc(CF)cc1=NN;FOJIXOFPBVXZIC-UHFFFAOYSA-N;145.14;-0.14;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP1_SNa";;;;;;;0.04;;-2.54;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM397055;MM397055;NC(=O)C(C=O)=CCC=O;HKRWLVJVBDFJMV-UHFFFAOYSA-N;141.13;-0.81;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_Na";;;;;;;-0.24;;-3.24;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM397056;MM397056;Nc1cc(=NO)n(N)cn1;UVCCNXKRBCJVKG-UHFFFAOYSA-N;141.13;-1.53;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP1_SP2";;;;;;;-1.06;;-3.82;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM397057;MM397057;C=CC(=CNC=N)C(=C)C;FLQYINSTFKZPSJ-UHFFFAOYSA-N;136.2;1.83;;;;;DOPC;MDCG;27;1;"MARTINI bead: C1_P3";;;;;;;0.94;;-3.22;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM397058;MM397058;CN=c1cc(F)ncn1N;OAJGVHZSWFESFP-UHFFFAOYSA-N;142.14;-0.73;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNa_SP2";;;;;;;-0.24;;-3.24;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM397059;MM397059;C=CC(=CNC=O)C(=C)C;DDRUVPIQIIBZQC-UHFFFAOYSA-N;137.18;1.38;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1_P3";;;;;;;0.94;;0.03;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM397060;MM397060;COc1cc(=NN)n(C)o1;YFSFNIDZBVERMW-UHFFFAOYSA-N;143.15;-0.6;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNa_SP1";;;;;;;0.04;;-2.54;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM397061;MM397061;CC(=O)C(C=O)=CNC=O;PNSONDQBIYLKMC-UHFFFAOYSA-N;141.13;-0.6;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_P2";;;;;;;-0.24;;-3.24;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM397062;MM397062;C=Cc1cc(=NN)n(C)o1;GYTZFJCGHHBEMH-UHFFFAOYSA-N;139.16;0.04;;;;;DOPC;MDCG;27;0;"MARTINI bead: SN0_SP1";;;;;;;0.34;;-1.53;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM397063;MM397063;N#CC(=CNC=N)C(=N)N;GKKYINIZNFQSLN-UHFFFAOYSA-N;137.15;-0.47;;;;;DOPC;MDCG;27;1;"MARTINI bead: P3_P1";;;;;;;-1.93;;-7.07;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM397064;MM397064;Cc1cc(=NO)n(O)cn1;VKTKDSOAGZHRPR-UHFFFAOYSA-N;141.13;-0.28;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNa_SP2";;;;;;;-0.24;;-3.24;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM397065;MM397065;C=CC(=CNC=O)C(N)=O;RQQJWOOURMLTMK-UHFFFAOYSA-N;140.14;-0.71;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda_P3";;;;;;;-1.1;;-3.97;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM397066;MM397066;C#Cc1cc(=NN)n(C)o1;XQNKXBZEOJSKHH-UHFFFAOYSA-N;137.14;-0.63;;;;;DOPC;MDCG;27;0;"MARTINI bead: SN0_SP1";;;;;;;0.34;;-1.53;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM397067;MM397067;NC(=O)C(C=O)=CNC=O;JCODHFHCZJEQEE-UHFFFAOYSA-N;142.11;-1.7;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_P3";;;;;;;-2.2;;-5.19;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM397068;MM397068;Nc1cc(=NO)n(O)cn1;GWIJMMGQGPALNW-UHFFFAOYSA-N;142.12;-1.01;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP1_SP2";;;;;;;-1.06;;-3.82;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM397069;MM397069;NN=C(NO)C(O)C(=O)O;GBDNTHPCHBAYSH-UHFFFAOYSA-N;149.11;-2.32;;;;;DOPC;MDCG;27;0;"MARTINI bead: P5_P1";;;;;;;-1.94;;-9.04;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM397070;MM397070;Cn1[nH]c(C#N)cc1=O;QVNCIEMJIWAHRC-UHFFFAOYSA-N;123.12;-0.41;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP3_SP1";;;;;;;-1.93;;-8.88;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM397071;MM397071;CC=Cc1cc(N)c(C)[nH]1;LLZVPDHTRBUBRY-UHFFFAOYSA-N;136.2;1.94;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC5_SNd";;;;;;;1.64;;0.02;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM397072;MM397072;C=CC1=CCC(O)CC1C;VCOCTQGYBOOEOT-UHFFFAOYSA-N;138.21;1.89;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNda_SC1";;;;;;;2.91;;0.57;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM397073;MM397073;Nc1nn(N)c(=O)oc1=O;IGXRRIWYLKGAPL-UHFFFAOYSA-N;144.09;-2.51;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP2_SP3";;;;;;;-2.2;;-5.19;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM397074;MM397074;C=C1CCC2(CO)C(C)C12;TWEKCFBYMLFCME-UHFFFAOYSA-N;138.21;1.58;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC4_SNda";;;;;;;2.2;;0.49;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM397075;MM397075;C=CC(=COC=O)C(C)=O;YEPVPMCDYWWGTC-UHFFFAOYSA-N;140.14;0.82;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_P1";;;;;;;0.81;;-0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM397076;MM397076;C=CC1=C(C)C2(O)CC1C2;VNWLUPIOKMEHBI-UHFFFAOYSA-N;136.19;1.64;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC3_SNda";;;;;;;2.57;;0.44;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM397077;MM397077;N=C(N)C(C=O)=COC=O;IHTYXXHLVAGDCN-UHFFFAOYSA-N;142.11;-0.82;;;;;DOPC;MDCG;27;1;"MARTINI bead: P2_P1";;;;;;;-1.06;;-5.26;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM397078;MM397078;Cc1cnn(C)c(=NO)c1;FYGLCSAOUQQSCE-UHFFFAOYSA-N;139.16;0.02;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP1_SP2";;;;;;;-1.06;;-3.82;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM397079;MM397079;C=C1C=C(C)C2CC1(O)C2;BLAFGCGYAXEVFQ-UHFFFAOYSA-N;136.19;1.64;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC2_SNda";;;;;;;2.83;;0.57;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM397080;MM397080;CCn1ncc(=NN)n1C;OCORCPSAZOHJNW-UHFFFAOYSA-N;141.18;-0.98;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP2_SP3";;;;;;;-2.2;;-5.19;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM397081;MM397081;C=NOC(C)(C)C(=O)O;AUIQUBRLOVENFX-UHFFFAOYSA-N;131.13;0.48;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_P1";;;;;;;0.81;;-4.59;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM397082;MM397082;Cn1ncc(N)cc1=NO;JWOSPKKJYNGVAI-UHFFFAOYSA-N;140.15;-0.71;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP1_SP2";;;;;;;-1.06;;-3.82;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM397083;MM397083;Nn1nnc(=O)c(F)c1O;WTCWNDVLMQTJRR-UHFFFAOYSA-N;146.08;-1.8;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP2_SP2";;;;;;;-1.34;;-8.39;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM397084;MM397084;Cn1ncc(O)cc1=NN;JICGDUDXRQELOU-UHFFFAOYSA-N;140.15;-1.1;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP2_SP2";;;;;;;-1.34;;-4.31;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM397085;MM397085;C#CC(=C)CCC(O)CC;XYENJIITCKGBCV-UHFFFAOYSA-N;138.21;1.73;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda_C5";;;;;;;1.64;;0.05;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM397086;MM397086;CN=c1cc(F)cnn1C;HRULKPMJPKRQBX-UHFFFAOYSA-N;141.15;0.09;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP1_SP1";;;;;;;-0.79;;-3.13;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM397087;MM397087;CCC1=CCC(C)(CO)C1;YCTZUWIVQXHJKR-UHFFFAOYSA-N;140.23;2.12;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC2_SC5";;;;;;;3.6;;0.34;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM397088;MM397088;C=Cn1ncc(=NN)n1C;KKLKGTQPEMHNCJ-UHFFFAOYSA-N;139.16;-0.9;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP2_SP3";;;;;;;-2.2;;-5.19;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM397089;MM397089;CC1(CO)CC=C(CF)C1;BMWOIRCLERNIFM-UHFFFAOYSA-N;144.19;1.67;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC5_SC5";;;;;;;2.41;;0.64;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM397090;MM397090;CN=c1cc(C)cnn1N;PMHQYAVXWMQBKS-UHFFFAOYSA-N;138.17;-0.56;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP1_SP2";;;;;;;-1.06;;-3.82;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM397091;MM397091;Cn1c(O)nn(O)c1=O;MROSLTZMOKYIJY-UHFFFAOYSA-N;131.09;-1.48;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP2_SP3";;;;;;;-2.2;;-9.1;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM397092;MM397092;Cn1c(=NN)cnn1C=N;MHIJZPGIUVEPAO-UHFFFAOYSA-N;140.15;-1.55;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP2_SP3";;;;;;;-2.2;;-5.19;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM397093;MM397093;CC(=O)C(C)=C(C)C(=O)O;GJIWJSZYGQVZNC-UHFFFAOYSA-N;142.15;1;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_P1";;;;;;;0.81;;-4.6;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM397094;MM397094;Cc1cnn(N)c(=NO)c1;RMDOFPAUZPIROW-UHFFFAOYSA-N;140.15;-0.8;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP1_SP2";;;;;;;-1.06;;-3.82;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM397095;MM397095;C=CC(CC)CC1(O)CC1;ZYUCHZZUIABBQX-UHFFFAOYSA-N;140.23;2.11;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1_SNda";;;;;;;2.91;;0.57;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM397096;MM397096;Cn1c(=NN)cnn1C=O;YZVGARZBFLVNIO-UHFFFAOYSA-N;141.13;-1.97;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP3_SP3";;;;;;;-3.07;;-6.15;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM397097;MM397097;ON=c1onnc(O)c1F;HPSMHCYSGDEZLQ-UHFFFAOYSA-N;147.07;-0.8;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP2_SP2";;;;;;;-1.34;;-8.4;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM397098;MM397098;Nc1cnn(N)c(=NO)c1;OABDTYFNTQQNSV-UHFFFAOYSA-N;141.13;-1.53;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP1_SP2";;;;;;;-1.06;;-3.82;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM397099;MM397099;C=C(F)C(C#N)=NOC=O;JKYHWYAAYTUNJN-UHFFFAOYSA-N;142.09;0.52;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_P1";;;;;;;0.81;;-0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM397100;MM397100;C#CCC=C(C=C)C(=N)N;AJQICRWRPHAORW-UHFFFAOYSA-N;134.18;1.06;;;;;DOPC;MDCG;27;1;"MARTINI bead: P3_C2";;;;;;;0.86;;-4.18;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM397101;MM397101;CN=c1cc(F)cnn1N;LSTPCLIYQGGMKE-UHFFFAOYSA-N;142.14;-0.73;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP1_SP2";;;;;;;-1.06;;-3.82;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM397102;MM397102;C#CC(=CCCO)C(=C)C;GKNGGKIRQJEZFM-UHFFFAOYSA-N;136.19;1.5;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4_Nda";;;;;;;2.2;;0.49;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM397103;MM397103;C=CC1NN=C(OC)C1C;CLKHREQGQYARGY-UHFFFAOYSA-N;140.19;0.74;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNa_SNd";;;;;;;0.87;;-1.88;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM397104;MM397104;C#CC(=CCCF)C(=N)N;TXAIJWWMTMIHKJ-UHFFFAOYSA-N;140.16;0.84;;;;;DOPC;MDCG;27;1;"MARTINI bead: P3_C4";;;;;;;0.23;;-4.49;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM397105;MM397105;Nc1c(C=O)cnn1C=O;AXNYIFRXCUOYTG-UHFFFAOYSA-N;139.11;-0.68;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP1_SP2";;;;;;;-1.06;;-3.82;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM397106;MM397106;C#CC(=CCNC)C(=N)N;RQTCHRJXHSTYRJ-UHFFFAOYSA-N;137.19;-0.3;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_P3";;;;;;;-1.1;;-7.32;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM397107;MM397107;Cc1cnn(O)c(=NO)c1;HMNDESXSCZYIDN-UHFFFAOYSA-N;141.13;-0.28;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP1_SP2";;;;;;;-1.06;;-3.82;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM397108;MM397108;C#CC(=CCNC)C(N)=O;RQJNYZJFIVXJTD-UHFFFAOYSA-N;138.17;-0.75;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_P3";;;;;;;-1.1;;-5.92;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM397109;MM397109;Nc1cnn(O)c(=NO)c1;YOESRVADECTEBH-UHFFFAOYSA-N;142.12;-1.01;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP1_SP2";;;;;;;-1.06;;-3.82;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM397110;MM397110;C#CC(=NNCC)C(=C)F;YNWYWBMYBAGEJB-UHFFFAOYSA-N;140.16;1.07;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_C5";;;;;;;0.81;;-0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM397111;MM397111;C=COCCONC=NN;MNOFEFPPWJAZAG-UHFFFAOYSA-N;145.16;-0.43;;;;;DOPC;MDCG;27;0;"MARTINI bead: P4_C5";;;;;;;-0.41;;-2.77;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM397112;MM397112;C#CC(=NOCC)C(=C)C;VWPUDAONQGDGLE-UHFFFAOYSA-N;137.18;1.59;;;;;DOPC;MDCG;27;0;"MARTINI bead: N0_C4";;;;;;;2.5;;0.44;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM397113;MM397113;CN=c1cc(C)nnn1C;OXHFDLXEBWDZPQ-UHFFFAOYSA-N;138.17;-0.35;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP1_SP2";;;;;;;-1.06;;-3.82;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM397114;MM397114;C#CC(=CNC=O)C(=C)C;QZWOMGUIVGPZLZ-UHFFFAOYSA-N;135.17;0.83;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4_P3";;;;;;;0.23;;-1.03;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM397115;MM397115;C#CCOCONC=NN;MXTYHNSBIIRXFN-UHFFFAOYSA-N;143.15;-0.98;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_P1";;;;;;;-0.79;;-3.13;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM397116;MM397116;C#CC(=CNC=O)C(=N)N;VOJNBKIIZOWGOI-UHFFFAOYSA-N;137.14;-0.81;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1_P3";;;;;;;-1.93;;-7.87;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM397117;MM397117;Cc1cc(=NO)n(C)nn1;AVINPEDKHMVGAD-UHFFFAOYSA-N;140.15;-0.59;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP1_SP2";;;;;;;-1.06;;-3.82;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM397118;MM397118;CC(=CNC=O)C(=O)O;QXHFXNLTWUIHQV-UHFFFAOYSA-N;129.12;-0.28;;;;;DOPC;MDCG;27;0;"MARTINI bead: P3_Nda";;;;;;;-1.1;;-7.92;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM397119;MM397119;NN=CNOCCC=CF;FMSDVWFYPXWAPX-UHFFFAOYSA-N;147.15;0.28;;;;;DOPC;MDCG;27;0;"MARTINI bead: P3_C4";;;;;;;0.23;;-1.03;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM397120;MM397120;C#CC(=NC(C)=NN)NN;CLQFVNCCWRZHBV-UHFFFAOYSA-N;139.16;-1.23;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nd_P2";;;;;;;-0.24;;-3.16;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM397121;MM397121;C#CC=CCONC=NN;WJRSUHPFCDRECH-UHFFFAOYSA-N;139.16;-0.4;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_Nda";;;;;;;0.04;;-2.73;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM397122;MM397122;CC=CC=C(CN)C(C)C;CLIBXRVHYAWXEX-UHFFFAOYSA-N;139.24;2.1;;;;;DOPC;MDCG;27;1;"MARTINI bead: C4_C5";;;;;;;2.97;;0.38;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM397123;MM397123;Cn1nnc(N)cc1=NO;ZBNQSWSSPLSEGD-UHFFFAOYSA-N;141.13;-1.31;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP2_SP2";;;;;;;-1.34;;-4.31;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM397124;MM397124;CC(N)C(=CC=CF)CN;WAZUYTYUOUZRRQ-UHFFFAOYSA-N;144.19;0.7;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1_Nda";;;;;;;0.04;;-5.04;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM397125;MM397125;Oc1n[nH]nc1O;BRRDISUTOXUKFS-UHFFFAOYSA-N;101.07;-0.78;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP2_SP2";;;;;;;-1.34;;-8.86;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM397126;MM397126;CC(O)C(=CC=CF)CO;DZLPTAQVEBRWBI-UHFFFAOYSA-N;146.16;0.77;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_C5";;;;;;;0.81;;-0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM397127;MM397127;CN=CNC(=O)C(=O)O;COULMRQYQHSYRN-UHFFFAOYSA-N;130.1;-1.15;;;;;DOPC;MDCG;27;0;"MARTINI bead: N0_P3";;;;;;;-0.8;;-7.18;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM397128;MM397128;CC(F)C(=CC=CF)CN;RKPSBGVREBQPQQ-UHFFFAOYSA-N;147.17;1.71;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nda_C5";;;;;;;1.64;;-2.02;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM397129;MM397129;CN=c1cc(F)nnn1C;VNWIVHBRRBTSCK-UHFFFAOYSA-N;142.14;-0.52;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP1_SP2";;;;;;;-1.06;;-3.82;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM397130;MM397130;CC(C)C(=CC=NO)CN;DCCGCRKBCVAGEM-UHFFFAOYSA-N;142.2;0.99;;;;;DOPC;MDCG;27;1;"MARTINI bead: C5_P1";;;;;;;0.81;;-2.67;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM397131;MM397131;C=CC#CCONC=NN;MHBHEJJGNGKHPL-UHFFFAOYSA-N;139.16;-0.4;;;;;DOPC;MDCG;27;0;"MARTINI bead: P4_C4";;;;;;;0.15;;-2.18;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM397132;MM397132;CC(C)C(=CC=NN)CF;BNOABJNCWNZRGK-UHFFFAOYSA-N;144.19;1.48;;;;;DOPC;MDCG;27;0;"MARTINI bead: C3_P1";;;;;;;1.74;;0.29;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM397133;MM397133;CN=c1cc(C)nnn1N;WUSQCOZAKHHXHO-UHFFFAOYSA-N;139.16;-1.17;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP1_SP2";;;;;;;-1.06;;-3.82;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM397134;MM397134;CC(C)C(=CC=NO)CF;UVXVXXKSCYCCPL-UHFFFAOYSA-N;145.18;2;;;;;DOPC;MDCG;27;0;"MARTINI bead: C3_P1";;;;;;;1.74;;0.29;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM397135;MM397135;C#CC#CCONC=NN;XJPTZPCCLYVERD-UHFFFAOYSA-N;137.14;-0.95;;;;;DOPC;MDCG;27;0;"MARTINI bead: P4_C4";;;;;;;0.15;;-2.18;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM397136;MM397136;C#CC1(C=C)CC1C(C)O;BPVFDIXZRDEDED-UHFFFAOYSA-N;136.19;1.19;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_SC5";;;;;;;0.81;;-0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM397137;MM397137;Cc1cc(=NO)n(N)nn1;DZUABTFTVDJDTI-UHFFFAOYSA-N;141.13;-1.41;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP1_SP2";;;;;;;-1.06;;-3.82;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM397138;MM397138;CC=NN=C(CO)C(F)F;AXWXTZIIDSEHEX-UHFFFAOYSA-N;150.13;0.69;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda_N0";;;;;;;1.17;;-1.13;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM397139;MM397139;NN=c1c(N)cccn1N;IFHZEGCRFNFIAX-UHFFFAOYSA-N;139.16;-1.44;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNd_SNd";;;;;;;0.87;;-2.11;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM397140;MM397140;CC=NN=C(OC)C(C)O;AJNHEOKDPCVDFK-UHFFFAOYSA-N;144.17;0.42;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_P1";;;;;;;0.81;;-0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM397141;MM397141;Cc1cnnn(C)c1=NN;PFSOJUFMMYSOHW-UHFFFAOYSA-N;139.16;-1.1;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP2_SP2";;;;;;;-1.34;;-4.31;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM397142;MM397142;CC=NN=C(OC)C(C)F;ZKUWSROHTAKWDU-UHFFFAOYSA-N;146.17;1.4;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_C5";;;;;;;2.41;;0.64;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM397143;MM397143;Nc1cc(=NO)n(N)nn1;FICJYIQWDMFORG-UHFFFAOYSA-N;142.12;-2.14;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP2_SP2";;;;;;;-1.34;;-4.31;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM397144;MM397144;CC=NN=C(OC)C(F)F;HSZPUMLIWPXBKK-UHFFFAOYSA-N;150.13;1.3;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_N0";;;;;;;1.94;;0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM397145;MM397145;COC(=NN)NCC(=O)O;UNMMVOAHGLNCIQ-UHFFFAOYSA-N;147.13;-1.46;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_P1";;;;;;;-1.06;;-8.35;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM397146;MM397146;C#CC1(C=C)CCC(O)C1;JTMWKTPRUDQNBU-UHFFFAOYSA-N;136.19;1.34;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNda_SC4";;;;;;;2.2;;0.49;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM397147;MM397147;CN(CC=O)C(=O)C(=O)O;PWUYEHYOBTUVET-UHFFFAOYSA-N;145.11;-1.27;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_P1";;;;;;;-1.06;;-8.36;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM397148;MM397148;CCC(=NC=NC)N(C)C;ZHDXJTOTIXNUGM-UHFFFAOYSA-N;141.22;1.01;;;;;DOPC;MDCG;27;1;"MARTINI bead: C5_P1";;;;;;;0.81;;-2.85;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM397149;MM397149;N#CCOC=CCC(=O)O;ANGXORKIUKYLBO-UHFFFAOYSA-N;141.13;0.51;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_Na";;;;;;;0.04;;-7.18;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM397150;MM397150;CN(C)C(CF)=NC=NO;MQYWNPTYUISUJX-UHFFFAOYSA-N;147.15;0.33;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda_P1";;;;;;;0.04;;-2.73;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM397151;MM397151;CN=c1cc(F)nnn1N;XDUIBVFLXMLQDB-UHFFFAOYSA-N;143.13;-1.34;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP1_SP2";;;;;;;-1.06;;-3.82;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM397152;MM397152;CCCOC(=O)C=NNC;WQUQFKNVNDWQAO-UHFFFAOYSA-N;144.17;0.14;;;;;DOPC;MDCG;27;0;"MARTINI bead: C3_P3";;;;;;;0.6;;-0.8;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM397153;MM397153;Cc1ccc(N)[nH]1;HEHBBRXNJWHZGB-UHFFFAOYSA-N;96.13;0.91;;;;;DOPC;MDCG;27;0;"MARTINI bead: SN0_SP1";;;;;;;0.34;;-1.53;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM397154;MM397154;CN(N)C(CF)=NC=NO;IILPUFFNJAKNJG-UHFFFAOYSA-N;148.14;-0.42;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_Na";;;;;;;-0.24;;-3.24;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM397155;MM397155;CC(C#N)CNN=CC=O;HDYSZSDYRNGJEA-UHFFFAOYSA-N;139.16;-0.08;;;;;DOPC;MDCG;27;0;"MARTINI bead: N0_P1";;;;;;;0.34;;-1.53;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM397156;MM397156;NN=C1CCON1;NSGPLDVFPDRKQD-UHFFFAOYSA-N;101.11;-0.82;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP2_SP1";;;;;;;-1.06;;-3.82;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM397157;MM397157;C=CC(=NNC)NOC=O;JYYJFIYZBYOSOT-UHFFFAOYSA-N;143.15;-0.62;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nd_P2";;;;;;;-0.24;;-3.16;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM397158;MM397158;C=CC(=O)C1CN1;YTOAIDXVAKRSSD-UHFFFAOYSA-N;97.12;-0.29;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_SP2";;;;;;;-0.24;;-3.24;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM397159;MM397159;CN=CN=C(NC)N(C)C;FSTFBQLNCOKJAU-UHFFFAOYSA-N;142.21;-0.22;;;;;DOPC;MDCG;27;1;"MARTINI bead: P2_Nd";;;;;;;-0.24;;-7.23;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM397160;MM397160;CC(O)C1CC1(C)C;AKQRSQFZYZHSBT-UHFFFAOYSA-N;114.19;1.41;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_SC4";;;;;;;1.37;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM397161;MM397161;CN(C)C(=NC=NN)NN;VVRUGDTZOPUVLV-UHFFFAOYSA-N;144.18;-1.73;;;;;DOPC;MDCG;27;1;"MARTINI bead: P2_P1";;;;;;;-1.06;;-6.82;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM397162;MM397162;CC1(C)CCC(O)C1;QKFKROULLRFXMV-UHFFFAOYSA-N;114.19;1.56;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC2_SNda";;;;;;;2.83;;0.57;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM397163;MM397163;CN(C)C(=NC=NO)NN;AFTIZLCFZZEQNB-UHFFFAOYSA-N;145.17;-1.22;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_P1";;;;;;;-1.06;;-3.82;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM397164;MM397164;CCC(=O)C(=O)NOC;VHWCKNSLEXXKDJ-UHFFFAOYSA-N;131.13;-0.36;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_P2";;;;;;;-0.24;;-7.81;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM397165;MM397165;CN(C)C(=NC=NN)NO;MINGDHNFFDUTQZ-UHFFFAOYSA-N;145.17;-1.22;;;;;DOPC;MDCG;27;1;"MARTINI bead: P2_P1";;;;;;;-1.06;;-5.38;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM397166;MM397166;Cc1n[nH]n(O)c1=O;FNCCMNRLIPIHAM-UHFFFAOYSA-N;115.09;-0.88;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP1_SP3";;;;;;;-1.93;;-8.88;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM397167;MM397167;CN(C)C(=NC=NO)NO;ROXMIKMMPMQUQO-UHFFFAOYSA-N;146.15;-0.7;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_P1";;;;;;;-1.06;;-3.82;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM397168;MM397168;C=C(C(N)=O)C(=O)C(=O)O;LDSXBFGMEMWVSM-UHFFFAOYSA-N;143.1;-1.32;;;;;DOPC;MDCG;27;0;"MARTINI bead: P3_Nda";;;;;;;-1.1;;-8.23;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM397169;MM397169;CNC(=NC=NN)N(C)N;WTYLGHFEPYMFKX-UHFFFAOYSA-N;144.18;-1.73;;;;;DOPC;MDCG;27;1;"MARTINI bead: P2_P1";;;;;;;-1.06;;-6.7;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM397170;MM397170;C#CCN(N)C=NN;HWZOFEJGLOXPKE-UHFFFAOYSA-N;112.14;-1.3;;;;;DOPC;MDCG;27;0;"MARTINI bead: P4_N0";;;;;;;-0.88;;-3.74;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM397171;MM397171;CNC(=NC=NO)N(C)N;JPKNDKCIRUQXFI-UHFFFAOYSA-N;145.17;-1.22;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_P1";;;;;;;-1.06;;-3.82;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM397172;MM397172;NN=c1cc(F)nnn1O;DIMBUMBVWOEULO-UHFFFAOYSA-N;145.1;-1.57;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP1_SP2";;;;;;;-1.06;;-3.82;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM397173;MM397173;CN=CN=C(NN)N(C)N;KXTIBHGMKIBXRM-UHFFFAOYSA-N;144.18;-1.73;;;;;DOPC;MDCG;27;1;"MARTINI bead: N0_P3";;;;;;;-0.8;;-5.54;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM397174;MM397174;CN=c1nc(C)ccn1C;FLLGVRZELPWZOJ-UHFFFAOYSA-N;137.19;0.26;;;;;DOPC;MDCG;27;1;"MARTINI bead: SN0_SNa";;;;;;;1.17;;-6.49;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM397175;MM397175;CN=CN=C(NO)N(C)N;QFRRTMANLVBWTC-UHFFFAOYSA-N;145.17;-1.22;;;;;DOPC;MDCG;27;1;"MARTINI bead: N0_P3";;;;;;;-0.8;;-4.12;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM397176;MM397176;Cc1ccn(C)c(=NN)n1;NUCWJKNNDDPZME-UHFFFAOYSA-N;138.17;-0.5;;;;;DOPC;MDCG;27;1;"MARTINI bead: SNa_SP1";;;;;;;0.04;;-6.05;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM397177;MM397177;CN(O)C(=NC=NO)NO;WPGCUOIDYFPEKK-UHFFFAOYSA-N;148.12;-0.94;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_P1";;;;;;;-1.06;;-3.82;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM397178;MM397178;CN=c1nc(F)ccn1C;MFAHURBLHNRLOV-UHFFFAOYSA-N;141.15;0.09;;;;;DOPC;MDCG;27;1;"MARTINI bead: SN0_SNa";;;;;;;1.17;;-3.46;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM397179;MM397179;CN=CN=C(OC)N(C)C;NEGPSYSHKNMVSC-UHFFFAOYSA-N;143.19;0.21;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_N0";;;;;;;0.34;;-1.53;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM397180;MM397180;CN=c1nc(C)ccn1N;YETUVYDUTBRAMY-UHFFFAOYSA-N;138.17;-0.56;;;;;DOPC;MDCG;27;1;"MARTINI bead: SP1_SNa";;;;;;;0.04;;-5.81;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM397181;MM397181;CC=NN=C(CF)N(C)N;PLUZPHTVHWZPCV-UHFFFAOYSA-N;146.17;0.17;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nd_Na";;;;;;;0.87;;-1.88;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM397182;MM397182;Cc1ccn(N)c(=NN)n1;KQXTYFZIEXQFJO-UHFFFAOYSA-N;139.16;-1.32;;;;;DOPC;MDCG;27;1;"MARTINI bead: SNa_SP2";;;;;;;-0.24;;-4.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM397183;MM397183;CC=NN=C(CF)N(C)O;NKGDZKUZGMHZJB-UHFFFAOYSA-N;147.15;0.68;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda_Na";;;;;;;0.87;;-1.99;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM397184;MM397184;Cc1ccn(N)c(=NO)n1;PWQSFKSXJCDWRZ-UHFFFAOYSA-N;140.15;-0.8;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNa_SP2";;;;;;;-0.24;;-3.24;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM397185;MM397185;CC=NN=C(OC)N(C)C;KGAQXHXNUWRIMA-UHFFFAOYSA-N;143.19;0.56;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_P1";;;;;;;0.81;;-0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM397186;MM397186;NN=CN(N)C=CF;RHBUUQBXKFYYIY-UHFFFAOYSA-N;118.12;-0.5;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_Na";;;;;;;-0.24;;-3.24;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM397187;MM397187;CC(F)C(C=O)=CC=CF;YPXHMOUMUGQPGQ-UHFFFAOYSA-N;146.14;1.95;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_C5";;;;;;;1.64;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM397188;MM397188;CN=c1nc(C)ccn1O;UBODPTKEYJFOTD-UHFFFAOYSA-N;139.16;-0.04;;;;;DOPC;MDCG;27;1;"MARTINI bead: SNa_SP1";;;;;;;0.04;;-5.36;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM397189;MM397189;CC(C)C(C=O)=CC=NO;SOHGSFYCFPRQQW-UHFFFAOYSA-N;141.17;1.23;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_P1";;;;;;;0.81;;-0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM397190;MM397190;Cc1ccn(O)c(=NO)n1;DYJFGTOEQBKSEC-UHFFFAOYSA-N;141.13;-0.28;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNa_SP3";;;;;;;-1.1;;-4.2;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM397191;MM397191;CC(C)C(C#N)=CC=NO;FGFYJEPTQWTQBD-UHFFFAOYSA-N;138.17;1.55;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_P1";;;;;;;0.81;;-0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM397192;MM397192;CC1CC(O)CC1C;UMJCOSIPVBOCGS-UHFFFAOYSA-N;114.19;1.41;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNda_SC2";;;;;;;2.83;;0.57;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM397193;MM397193;CC=NN=C(C=O)C(C)O;JGTRYPPEJZWESW-UHFFFAOYSA-N;142.16;0.01;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_P2";;;;;;;0.54;;-1.09;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM397194;MM397194;CN=c1nc(C)ncn1C;KRVMSVAYZFIQKQ-UHFFFAOYSA-N;138.17;-0.35;;;;;DOPC;MDCG;27;1;"MARTINI bead: SP2_SP1";;;;;;;-1.06;;-4.83;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM397195;MM397195;CC=NN=C(C#N)C(C)O;VKCIQTISSOHNGG-UHFFFAOYSA-N;139.16;0.34;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4_P1";;;;;;;1.37;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM397196;MM397196;NN=C(C=CF)NN;NCNRFSKMJZOLPI-UHFFFAOYSA-N;118.12;-0.79;;;;;DOPC;MDCG;27;0;"MARTINI bead: P4_C5";;;;;;;-0.41;;-2.77;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM397197;MM397197;CN(C)C(C#N)=CC=NO;VUWKGGRRHSTMBS-UHFFFAOYSA-N;139.16;0.42;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nd_P1";;;;;;;0.04;;-2.63;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM397198;MM397198;Cc1ncn(C)c(=NO)n1;BCDYJKGDNLKIFK-UHFFFAOYSA-N;140.15;-0.59;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP1_SP3";;;;;;;-1.93;;-4.72;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM397199;MM397199;CC=NN=C(C#N)N(C)C;GOMAMUPBGVGIFC-UHFFFAOYSA-N;138.17;0.48;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4_P1";;;;;;;1.37;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM397200;MM397200;CN=c1nc(N)ncn1C;NSMLPTWFHCKRJI-UHFFFAOYSA-N;139.16;-1.07;;;;;DOPC;MDCG;27;1;"MARTINI bead: SP1_SP2";;;;;;;-1.06;;-6.91;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM397201;MM397201;C=CC(=NN=CC)N(C)N;BBLYNITVCVCOFZ-UHFFFAOYSA-N;140.19;0.38;;;;;DOPC;MDCG;27;0;"MARTINI bead: N0_Nd";;;;;;;1.17;;-1.04;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM397202;MM397202;Cn1cnc(N)nc1=NN;SRNWDECMXBQKLQ-UHFFFAOYSA-N;140.15;-1.83;;;;;DOPC;MDCG;27;1;"MARTINI bead: SP1_SP2";;;;;;;-1.06;;-6.49;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM397203;MM397203;C#CC(=CC=CF)C(C)N;AFYJLILQKROCMW-UHFFFAOYSA-N;139.17;1.38;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_C5";;;;;;;1.64;;-1.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM397204;MM397204;NN=c1cn[nH]c(=NO)o1;NHQNNSIDDNOKDR-UHFFFAOYSA-N;143.11;-1.93;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP3_SP3";;;;;;;-3.07;;-10.15;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM397205;MM397205;C#CC(=NN=CC)C(C)O;JSSCZJVNVWUSCG-UHFFFAOYSA-N;138.17;0.45;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4_P1";;;;;;;1.37;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM397206;MM397206;C=Nn1nc(O)n(O)c1=O;SAHGEOUOMCBBIB-UHFFFAOYSA-N;144.09;-1.55;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP2_SP3";;;;;;;-2.2;;-9.4;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM397207;MM397207;C#CC(=NC=NC)N(C)N;CRPKYZVPVBEFDM-UHFFFAOYSA-N;138.17;-0.52;;;;;DOPC;MDCG;27;0;"MARTINI bead: N0_P2";;;;;;;0.06;;-2.21;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM397208;MM397208;CN=c1nc(C)ncn1N;SQBZWLJEIZOYMF-UHFFFAOYSA-N;139.16;-1.17;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP1_SP3";;;;;;;-1.93;;-4.72;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM397209;MM397209;C=C1C(=C)C2CC2(O)C1=C;UGEFSTAJJUATNU-UHFFFAOYSA-N;134.18;1.42;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNda_SC4";;;;;;;2.2;;0.49;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM397210;MM397210;CN(C)C(CF)=NN;MXOHEGYELDJEGM-UHFFFAOYSA-N;119.14;-0.21;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_Na";;;;;;;-0.24;;-3.24;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM397211;MM397211;C#CC(=NN=CC)N(C)C;GFDNAVUVKAMLQO-UHFFFAOYSA-N;137.19;0.59;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4_P1";;;;;;;1.37;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM397212;MM397212;Cc1ncn(N)c(=NO)n1;YDXBYUMAPTWGNL-UHFFFAOYSA-N;141.13;-1.41;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP1_SP3";;;;;;;-1.93;;-4.72;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM397213;MM397213;C=C(C)C(=CC=CC)CN;NWIKVPBJOWQSTE-UHFFFAOYSA-N;137.23;2.02;;;;;DOPC;MDCG;27;1;"MARTINI bead: C4_Nd";;;;;;;2.2;;-1.61;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM397214;MM397214;CN=c1nc(N)ncn1N;UWNZRWFMNUUWTD-UHFFFAOYSA-N;140.15;-1.9;;;;;DOPC;MDCG;27;1;"MARTINI bead: SP1_SP3";;;;;;;-1.93;;-7.1;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM397215;MM397215;NC(=O)C(=CC=CF)CO;VIAKNZXXBLRBCG-UHFFFAOYSA-N;145.13;-0.13;;;;;DOPC;MDCG;27;0;"MARTINI bead: P3_C5";;;;;;;-0.33;;-2.01;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM397216;MM397216;NN=c1nc(N)ncn1N;ZOHXYEFZKMGWCE-UHFFFAOYSA-N;141.14;-2.65;;;;;DOPC;MDCG;27;1;"MARTINI bead: SP1_SP3";;;;;;;-1.93;;-6.75;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM397217;MM397217;CCC(=CC=CF)C(=O)O;SYTAMWZFJADYGT-UHFFFAOYSA-N;144.15;1.89;;;;;DOPC;MDCG;27;-1;"MARTINI bead: C4_Nda";;;;;;;2.2;;-2.27;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM397218;MM397218;O=C(O)CN1CC1;SKSORCHTXOEUIU-UHFFFAOYSA-N;101.11;-0.61;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_SP1";;;;;;;-0.79;;-7.78;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM397219;MM397219;C=C(C)C(=CC=NN)CF;UICVTHAWBZDTNW-UHFFFAOYSA-N;142.18;1.4;;;;;DOPC;MDCG;27;0;"MARTINI bead: C2_P1";;;;;;;2;;0.3;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM397220;MM397220;O=CCCC(F)(F)C(=O)O;GUKXKTSKYHILOV-UHFFFAOYSA-N;152.1;0.69;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_Na";;;;;;;0.04;;-7.19;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM397221;MM397221;CCC(=CC=NO)C(C)=O;BXWCARLCRFGARZ-UHFFFAOYSA-N;141.17;1.37;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_P1";;;;;;;0.81;;-0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM397222;MM397222;C=C1NC(=NN)CO1;BIUIDMJRUUJMDG-UHFFFAOYSA-N;113.12;-0.65;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP2_SP1";;;;;;;-1.06;;-3.82;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM397223;MM397223;CC(=O)C(=CC=NO)CO;NAJSAWGFRRDAKR-UHFFFAOYSA-N;143.14;-0.05;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_P2";;;;;;;-0.24;;-3.24;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM397224;MM397224;CC(O)C1C(C)C1C;LQAFMCMKCBWNEL-UHFFFAOYSA-N;114.19;1.27;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_SC5";;;;;;;0.81;;-0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM397225;MM397225;N=C(N)C(=CC=NN)CF;XBVHCKNUGYWQDL-UHFFFAOYSA-N;144.15;-0.24;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_P2";;;;;;;-0.24;;-6.98;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM397226;MM397226;O=c1nnc(=O)n(O)[nH]1;YGMMVIRXABXOEC-UHFFFAOYSA-N;130.06;-2.44;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP4_SP5";;;;;;;-3.17;;-11.09;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM397227;MM397227;C=CNC(=O)C(O)C(=O)O;DOFGZULZLJFUDP-UHFFFAOYSA-N;145.11;-1.31;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_P2";;;;;;;-1.34;;-8.4;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM397228;MM397228;CC(N)=C(F)C(=O)C(=O)O;FABYVZXJMUCZSE-UHFFFAOYSA-N;147.11;-0.2;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda_P2";;;;;;;-0.24;;-7.84;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM397229;MM397229;Nc1noc(=O)n(N)c1=O;ZJUGJZJPBVWIKO-UHFFFAOYSA-N;144.09;-2.51;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP4_SP2";;;;;;;-2.29;;-5.95;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM397230;MM397230;COn1nc(O)n(O)c1=O;HSZXVDYOBPQLRH-UHFFFAOYSA-N;147.09;-1.95;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP2_SP3";;;;;;;-2.2;;-9.4;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM397231;MM397231;CNC(=CC=NO)C(=N)N;PCNPSGVKFYAJNG-UHFFFAOYSA-N;142.16;-0.51;;;;;DOPC;MDCG;27;1;"MARTINI bead: P2_P1";;;;;;;-1.06;;-8.86;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM397232;MM397232;CCC1(C)CC(C)(O)C1;CWCVQSBBKUSYSN-UHFFFAOYSA-N;128.22;1.95;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC1_SNda";;;;;;;2.91;;0.57;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM397233;MM397233;COC(=CC=CF)C(N)=O;OEDOQEHCWRGYSM-UHFFFAOYSA-N;145.13;0.49;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4_P3";;;;;;;0.23;;-1.03;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM397234;MM397234;Cc1cnn(C)c(=NO)n1;NBNPMVVLRSPGHY-UHFFFAOYSA-N;140.15;-0.59;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP2_SP2";;;;;;;-1.34;;-4.31;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM397235;MM397235;COC(=CC=NN)C(=N)N;SBMHBPBHAJVLAM-UHFFFAOYSA-N;142.16;-0.6;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1_P1";;;;;;;-0.79;;-7.16;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM397236;MM397236;CN=c1nc(F)cnn1C;VKWLSSABSVXNGV-UHFFFAOYSA-N;142.14;-0.52;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP2_SP2";;;;;;;-1.34;;-4.31;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM397237;MM397237;NN=C(CF)C(=NN)NN;IFRGQXCRGHTUTI-UHFFFAOYSA-N;148.15;-1.99;;;;;DOPC;MDCG;27;0;"MARTINI bead: P3_Na";;;;;;;-1.1;;-4.2;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM397238;MM397238;CC(=O)C(C)=NN(C)C;QBYQXWQLIUTWNW-UHFFFAOYSA-N;128.18;0.51;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_Na";;;;;;;-0.24;;-3.24;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM397239;MM397239;COC(=CC=NO)C(N)=O;YWOMIEZZXYPSHL-UHFFFAOYSA-N;144.13;-0.54;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_P1";;;;;;;-0.79;;-3.13;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM397240;MM397240;CN=c1nc(C)cnn1N;WAFFYKYUXWCVAD-UHFFFAOYSA-N;139.16;-1.17;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP2_SP2";;;;;;;-1.34;;-4.31;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM397241;MM397241;CC=NN=C(CO)C(C)=O;ZJKMOMMBRWVRFO-UHFFFAOYSA-N;142.16;0.01;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda_Na";;;;;;;0.87;;-1.99;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM397242;MM397242;CC(F)=CN(N)C=NN;BUYMCCXTUJKQIX-UHFFFAOYSA-N;132.14;-0.11;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_P2";;;;;;;0.54;;-1.09;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM397243;MM397243;CC=NN=C(CF)C(N)=O;MUEKHWCGKLCYQP-UHFFFAOYSA-N;145.14;-0.11;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda_Na";;;;;;;0.87;;-1.99;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM397244;MM397244;Cc1cnn(N)c(=NO)n1;JHYCHBOOAUJEDV-UHFFFAOYSA-N;141.13;-1.41;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP2_SP3";;;;;;;-2.2;;-5.19;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM397245;MM397245;CC=NN=C(OC)C(C)=O;UDZRIJAYMPELGI-UHFFFAOYSA-N;142.16;0.63;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_Na";;;;;;;1.64;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM397246;MM397246;CN=c1nc(F)cnn1N;HAZWWSBQELLKRP-UHFFFAOYSA-N;143.13;-1.34;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP2_SP2";;;;;;;-1.34;;-4.31;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM397247;MM397247;C=C(F)C(=NN=CC)OC;ULMJWUWJPHNNRE-UHFFFAOYSA-N;144.15;1.52;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_C5";;;;;;;2.41;;0.64;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM397248;MM397248;C=CC(C)(O)CCCC;KQPHSLFDLUPNRQ-UHFFFAOYSA-N;128.22;2.11;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1_Nda";;;;;;;2.91;;0.57;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM397249;MM397249;N=C(N)C(C=O)=CC=CF;GXPFOOZFUXSWGW-UHFFFAOYSA-N;142.13;0.53;;;;;DOPC;MDCG;27;1;"MARTINI bead: P3_C4";;;;;;;0.23;;-3.3;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM397250;MM397250;CCC=CC(C)(O)CC;CRWWBSSRFJGHAT-UHFFFAOYSA-N;128.22;2.11;;;;;DOPC;MDCG;27;0;"MARTINI bead: C3_Nda";;;;;;;2.57;;0.44;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM397251;MM397251;N#CC(=CC=CF)C(=N)N;PVAGKDHPQFCAHP-UHFFFAOYSA-N;139.13;0.86;;;;;DOPC;MDCG;27;1;"MARTINI bead: P2_C5";;;;;;;0.54;;-2.56;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM397252;MM397252;CC(=NN)NC=C(F)F;ATLCWDDNFQZEDY-UHFFFAOYSA-N;135.12;0.61;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nd_Nd";;;;;;;0.87;;-2.11;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM397253;MM397253;C=CC(=CC=NN)C(=N)N;QPWGKSOFWKCURX-UHFFFAOYSA-N;138.17;-0.02;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_P1";;;;;;;0.04;;-6.71;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM397254;MM397254;N=C(N)C(C=O)=CC=NO;RUMDBDHWVMVJEP-UHFFFAOYSA-N;141.13;-0.49;;;;;DOPC;MDCG;27;1;"MARTINI bead: P2_P1";;;;;;;-1.06;;-5.66;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM397255;MM397255;NN=CCN(N)C=NN;IVDKADIBQPFTFZ-UHFFFAOYSA-N;130.16;-1.99;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_P2";;;;;;;-1.06;;-3.82;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM397256;MM397256;N#CC(=CC=NO)C(N)=O;BJRXJLPMIYNPTH-UHFFFAOYSA-N;139.11;-0.62;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_P1";;;;;;;-0.79;;-3.13;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM397257;MM397257;NN=c1nc(F)cnn1O;KLTNBQCEGKKXHF-UHFFFAOYSA-N;145.1;-1.57;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP2_SP3";;;;;;;-2.2;;-5.19;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM397258;MM397258;NNc1ccn(N)c(=O)n1;GBUCPEQGGTXZOK-UHFFFAOYSA-N;141.13;-1.76;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNda_SP2";;;;;;;-0.24;;-3.31;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM397259;MM397259;CN=c1nc(C)nnn1C;SOUFQYQNYMUVFT-UHFFFAOYSA-N;139.16;-0.95;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP2_SP2";;;;;;;-1.34;;-4.31;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM397260;MM397260;C#CC(=CC=CF)C(=C)C;DBABQAPJPVPOGW-UHFFFAOYSA-N;136.17;2.61;;;;;DOPC;MDCG;27;0;"MARTINI bead: C3_C5";;;;;;;3.34;;0.48;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM397261;MM397261;COC=CN(N)C=NN;JSLAIJKWTDVNMC-UHFFFAOYSA-N;130.15;-0.82;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_P2";;;;;;;-1.06;;-3.82;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM397262;MM397262;C#CC(=CC=CF)C(=N)N;BNEUKLQLVKGUKD-UHFFFAOYSA-N;138.15;0.97;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1_C5";;;;;;;0.81;;-3.84;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM397263;MM397263;Cc1nnn(C)c(=NO)n1;GKRSTVJPLAAOMC-UHFFFAOYSA-N;141.13;-1.19;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP2_SP3";;;;;;;-2.2;;-5.19;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM397264;MM397264;C#CC(=CC=NN)C(=C)C;XPXFLLUWSLZZFC-UHFFFAOYSA-N;134.18;1.07;;;;;DOPC;MDCG;27;0;"MARTINI bead: C3_P1";;;;;;;1.74;;0.29;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM397265;MM397265;COC(=N)N(C)C=NN;UGQBGGVVMMNCEG-UHFFFAOYSA-N;130.15;-0.6;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_P1";;;;;;;-0.79;;-3.13;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM397266;MM397266;C#CC(=CC=NO)C(=C)C;NFRNYVWWOCIFGU-UHFFFAOYSA-N;135.17;1.58;;;;;DOPC;MDCG;27;0;"MARTINI bead: C3_P1";;;;;;;1.74;;0.29;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM397267;MM397267;CC(=NN)N(C)OC=O;KQFJLTJCNFYYDF-UHFFFAOYSA-N;131.14;-0.7;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_Nd";;;;;;;-0.24;;-3.16;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM397268;MM397268;C#CC(=NN=CC)C(N)=O;USWPVFUIAOEOAP-UHFFFAOYSA-N;137.14;-0.45;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4_P3";;;;;;;0.23;;-1.03;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM397269;MM397269;Cn1nnc(N)nc1=NO;KUEJIFZWJGRRQQ-UHFFFAOYSA-N;142.12;-1.92;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP2_SP3";;;;;;;-2.2;;-5.19;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM397270;MM397270;C#CC(=CC#CC)C(C)C;JOLVMWPOQODJKZ-UHFFFAOYSA-N;132.21;2.23;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4_C3";;;;;;;3.9;;0.47;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM397271;MM397271;CCc1n[nH]n(O)c1=O;MGHSBNNDNFZFBN-UHFFFAOYSA-N;129.12;-0.63;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNda_SP3";;;;;;;-1.1;;-8.23;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM397272;MM397272;C#CC(=CC#CC)C(C)N;DSXRQAKLMGGYIH-UHFFFAOYSA-N;133.19;0.92;;;;;DOPC;MDCG;27;1;"MARTINI bead: C4_Nd";;;;;;;2.2;;-1.41;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM397273;MM397273;C#CC#CC(OC)C(=O)O;WVCIHEPFDHWIJT-UHFFFAOYSA-N;138.12;-0.28;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_P1";;;;;;;0.81;;-5.11;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM397274;MM397274;CC#CC=C(OC)C(=N)N;PPBZXHZHOOOIJP-UHFFFAOYSA-N;138.17;0.48;;;;;DOPC;MDCG;27;1;"MARTINI bead: C4_P2";;;;;;;1.09;;-4.2;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM397275;MM397275;O=C(O)C(=O)CC#CCO;GEDLNRMANCPUJS-UHFFFAOYSA-N;142.11;-0.97;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda_P2";;;;;;;-0.24;;-7.84;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM397276;MM397276;CC#CC=C(OC)C(N)=O;XDGDYVXUVVHHAL-UHFFFAOYSA-N;139.15;0.03;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4_P2";;;;;;;1.09;;-0.38;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM397277;MM397277;CN=c1nc(C)nnn1N;GRIKSZYYYBXTMX-UHFFFAOYSA-N;140.15;-1.77;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP2_SP3";;;;;;;-2.2;;-5.19;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM397278;MM397278;C=CC(=CC#CC)C(=C)C;BKTHUHDJWUNFFC-UHFFFAOYSA-N;132.21;2.7;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1_C4";;;;;;;4.24;;0.42;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM397279;MM397279;CC(=CF)N(N)C=NN;BYKVIJCREAOYJT-UHFFFAOYSA-N;132.14;-0.11;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4_P4";;;;;;;0.15;;-2.18;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM397280;MM397280;C=CC(=CC#CC)C(=N)N;MTGWSXBDQVREQT-UHFFFAOYSA-N;134.18;1.06;;;;;DOPC;MDCG;27;1;"MARTINI bead: C1_P3";;;;;;;0.94;;-3.56;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM397281;MM397281;N=CN(C=CF)C=NN;RTNWXRDUYZGWDY-UHFFFAOYSA-N;130.13;0.24;;;;;DOPC;MDCG;27;0;"MARTINI bead: P4_C5";;;;;;;-0.41;;-2.77;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM397282;MM397282;CC#CC=C(C#N)C(N)=O;APKLSCUAIYAKSI-UHFFFAOYSA-N;134.14;-0.06;;;;;DOPC;MDCG;27;0;"MARTINI bead: N0_P1";;;;;;;0.34;;-1.53;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM397283;MM397283;N=c1nc(N)c(F)no1;NWVLAJPLWPXBBI-UHFFFAOYSA-N;130.08;-0.73;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP3_SP2";;;;;;;-2.2;;-5.19;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM397284;MM397284;C#CC(=CC#CC)C(=C)C;WJUOQPOMMZWUIK-UHFFFAOYSA-N;130.19;2.15;;;;;DOPC;MDCG;27;0;"MARTINI bead: C2_C4";;;;;;;4.16;;0.44;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM397285;MM397285;Nc1nnn(N)c(=NO)n1;KTBQCBDCLGHTQQ-UHFFFAOYSA-N;143.11;-2.74;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP2_SP3";;;;;;;-2.2;;-5.19;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM397286;MM397286;CC(C)=C(CN)CCCO;QILGUUWMWJSZBC-UHFFFAOYSA-N;143.23;1.05;;;;;DOPC;MDCG;27;1;"MARTINI bead: C5_P1";;;;;;;0.81;;-2.72;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM397287;MM397287;CC(=O)OC(=NN)C(=O)O;YTGCRURVMOJHCQ-UHFFFAOYSA-N;146.1;-1.09;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_P2";;;;;;;-0.24;;-7.82;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM397288;MM397288;C=NN=C1C=C(OC)CC1;JQLGEZGGVAAGAJ-UHFFFAOYSA-N;138.17;1.37;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC5_SC5";;;;;;;2.41;;0.64;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM397289;MM397289;N#CC=NNCCC(=O)O;BRROXQDLTFECGD-UHFFFAOYSA-N;141.13;-0.44;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda_P2";;;;;;;-0.24;;-7.84;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM397290;MM397290;C=Cc1cc(NCC)c[nH]1;QVJOITCPKBPURX-UHFFFAOYSA-N;136.2;2.09;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC5_SNd";;;;;;;1.64;;0.02;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM397291;MM397291;N=C(N)n1oc(O)nc1=O;NOSAYUAGXGKWGT-UHFFFAOYSA-N;144.09;-1.72;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP3_SP1";;;;;;;-1.93;;-8.89;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM397292;MM397292;CC(C)=C(CF)CCCF;CFHNOQMLZPWKQA-UHFFFAOYSA-N;148.2;3.04;;;;;DOPC;MDCG;27;0;"MARTINI bead: C3_C5";;;;;;;3.34;;0.48;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM397293;MM397293;C=C1C(C)C2CC1(O)C2;CEXHBJMFRZYTSF-UHFFFAOYSA-N;124.18;1.33;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC3_SNda";;;;;;;2.57;;0.44;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM397294;MM397294;CC=Cc1cc(NC)c[nH]1;QQAKXWSMELTPMM-UHFFFAOYSA-N;136.2;2.09;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNd_SC5";;;;;;;1.64;;0.02;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM397295;MM397295;Cc1nnn(O)c(=NN)n1;FMYHUZDWBQWTNS-UHFFFAOYSA-N;142.12;-2.01;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP2_SP3";;;;;;;-2.2;;-5.19;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM397296;MM397296;CCCCC(CN)=C(C)F;SAAUFDYXFDCYKR-UHFFFAOYSA-N;145.22;2.38;;;;;DOPC;MDCG;27;1;"MARTINI bead: C3_Nda";;;;;;;2.57;;-1.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM397297;MM397297;C=C1OCC(=NN)N1C;UYMNLODCXAGWSW-UHFFFAOYSA-N;127.15;-0.31;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNda_SP2";;;;;;;-0.24;;-3.31;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM397298;MM397298;CC(F)=C(CN)CCCN;GBXVWUXQNKUFPT-UHFFFAOYSA-N;146.21;0.93;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nda_P2";;;;;;;-0.24;;-6.16;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM397299;MM397299;CC=NN1CC1C(C)=O;VOYRXRVVSBGCGD-UHFFFAOYSA-N;126.16;0.27;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP1_Na";;;;;;;0.04;;-2.54;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM397300;MM397300;CC(F)=C(CF)CCCN;PADRGBQTIVTZAR-UHFFFAOYSA-N;149.18;1.94;;;;;DOPC;MDCG;27;1;"MARTINI bead: C4_P1";;;;;;;1.37;;-2.72;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM397301;MM397301;O=CCC=CC#CC(=O)O;LYTNKVWJAMYCDA-UHFFFAOYSA-N;138.12;0.22;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_C5";;;;;;;0.81;;-5.12;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM397302;MM397302;CC(F)=C(CF)CCCF;XLZKBNXNJHYTPN-UHFFFAOYSA-N;152.16;2.95;;;;;DOPC;MDCG;27;0;"MARTINI bead: C3_Na";;;;;;;2.57;;0.45;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM397303;MM397303;COn1c(O)nncc1=O;NDPMYJDDFOSYHN-UHFFFAOYSA-N;143.1;-1.6;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP3_SP2";;;;;;;-2.2;;-9.41;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM397304;MM397304;NCC(CCCF)=C(F)F;VJIHYKCNULJTQD-UHFFFAOYSA-N;153.15;1.85;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nda_N0";;;;;;;1.17;;-3.21;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM397305;MM397305;CONC(=O)C(O)C#N;YLUMAOVDUDXNDJ-UHFFFAOYSA-N;130.1;-1.45;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_P2";;;;;;;-1.34;;-8.88;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM397306;MM397306;NCCCC(CF)=C(F)F;YDGOZEWDRQDYIY-UHFFFAOYSA-N;153.15;1.85;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1_C4";;;;;;;1.37;;-2.72;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM397307;MM397307;C=c1ccc(C)cc1=CC;MQTGTLARHBFMCP-UHFFFAOYSA-N;132.21;1.21;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC1_SC4";;;;;;;4.24;;0.42;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM397308;MM397308;CCC(CCNC)=C(C)C;UGWFPLTVJSINQM-UHFFFAOYSA-N;141.26;2.34;;;;;DOPC;MDCG;27;1;"MARTINI bead: C1_P1";;;;;;;2.08;;-1.4;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM397309;MM397309;C=c1ccc(C)cc1=CF;ZTEMBTIJSKEPMG-UHFFFAOYSA-N;136.17;1.11;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC4_SC4";;;;;;;3.53;;0.53;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM397310;MM397310;CCC(CCNC)=C(C)F;POOVHJCFDHGMSY-UHFFFAOYSA-N;145.22;2.25;;;;;DOPC;MDCG;27;1;"MARTINI bead: C1_P1";;;;;;;2.08;;-1.39;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM397311;MM397311;C=c1ccc(F)cc1=CC;GXZUTMZFJWAWSE-UHFFFAOYSA-N;136.17;1.04;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC5_SC1";;;;;;;3.68;;0.46;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM397312;MM397312;CNCCC(CN)=C(C)F;ITYDKACNJWOZMD-UHFFFAOYSA-N;146.21;0.8;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nda_P2";;;;;;;-0.24;;-6.34;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM397313;MM397313;C=c1ccc(F)cc1=CF;KJBSBOQZPGBYNJ-UHFFFAOYSA-N;140.13;0.94;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC4_SC5";;;;;;;2.97;;0.45;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM397314;MM397314;CNCCC(CF)=C(C)F;HAKUYSWEXUDBDH-UHFFFAOYSA-N;149.18;1.81;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nda_Na";;;;;;;0.87;;-5.02;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM397315;MM397315;COCC(O)C#CC(=O)O;WWWHLMYBKFXCRO-UHFFFAOYSA-N;144.13;-0.92;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_P1";;;;;;;-1.06;;-8.38;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM397316;MM397316;CCC(CCNC)=C(F)F;HDVQSFDLEKDDRY-UHFFFAOYSA-N;149.18;2.16;;;;;DOPC;MDCG;27;1;"MARTINI bead: C1_P1";;;;;;;2.08;;-1.39;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM397317;MM397317;CCc1cc(=O)[nH]nc1N;DLVDEZBMSUPTIK-UHFFFAOYSA-N;139.16;-0.09;;;;;DOPC;MDCG;27;0;"MARTINI bead: SN0_SP3";;;;;;;-0.8;;-2.99;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM397318;MM397318;CNCCC(CF)=C(F)F;ZWWQPWSHMDMNOQ-UHFFFAOYSA-N;153.15;1.72;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_Na";;;;;;;0.87;;-4.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM397319;MM397319;Nc1n[nH]c(=O)cc1CO;DDODVLIBYFTHBG-UHFFFAOYSA-N;141.13;-1.16;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP3_SP1";;;;;;;-1.93;;-4.72;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM397320;MM397320;COCCC(OC)=C(C)C;VCNZIPHBGXNBFD-UHFFFAOYSA-N;144.21;1.96;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_C2";;;;;;;2;;0.29;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM397321;MM397321;Nc1n[nH]c(=O)cc1CF;IEIYQMIRHHVHMJ-UHFFFAOYSA-N;143.12;-0.18;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP3_SNa";;;;;;;-1.1;;-4.2;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM397322;MM397322;COCCC(OC)=C(C)F;STKSKAHMEIZXDQ-UHFFFAOYSA-N;148.18;1.87;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_C4";;;;;;;1.37;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM397323;MM397323;CCc1cc(N)n[nH]c1=O;XQLJETHUVQBPPV-UHFFFAOYSA-N;139.16;-0.09;;;;;DOPC;MDCG;27;0;"MARTINI bead: SN0_SP3";;;;;;;-0.8;;-2.99;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM397324;MM397324;COCCC(OC)=C(F)F;PCMFQMJHFRVMBY-UHFFFAOYSA-N;152.14;1.78;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_C4";;;;;;;1.37;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM397325;MM397325;Nc1cc(CO)c(=O)[nH]n1;CFCRPXJIKQJWRP-UHFFFAOYSA-N;141.13;-1.16;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP1_SP3";;;;;;;-1.93;;-4.72;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM397326;MM397326;CCNCC(CC)=C(C)C;DCBVEVUCSGQQKG-UHFFFAOYSA-N;141.26;2.34;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_C1";;;;;;;2.91;;-0.31;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM397327;MM397327;Nc1cc(CF)c(=O)[nH]n1;XFWQCNWLUOMTGS-UHFFFAOYSA-N;143.12;-0.18;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP1_SP2";;;;;;;-1.06;;-3.82;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM397328;MM397328;CCNCC(CF)=C(C)C;OCOZHYMJZKVGBS-UHFFFAOYSA-N;145.22;1.9;;;;;DOPC;MDCG;27;1;"MARTINI bead: C5_Na";;;;;;;1.64;;-2.09;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM397329;MM397329;C=CC(=NN)N(C)N=C;LRNKJHIGVQZZOM-UHFFFAOYSA-N;126.16;-0.01;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_N0";;;;;;;0.06;;-2.21;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM397330;MM397330;CCNCC(CC)=C(C)F;KCKCRSAURBMGOK-UHFFFAOYSA-N;145.22;2.25;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1_C1";;;;;;;2.08;;-0.5;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM397331;MM397331;CCNCC(CF)=C(C)F;ZHYUNRGHOCSZSG-UHFFFAOYSA-N;149.18;1.81;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1_C4";;;;;;;1.37;;-1.68;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM397332;MM397332;CNc1cc(N)n[nH]c1=O;ACKLIPGQGJGZHX-UHFFFAOYSA-N;140.15;-0.61;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNd_SP3";;;;;;;-1.1;;-3.93;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM397333;MM397333;COc1cc(=O)[nH]nc1N;PDRRPQYRFGRKIM-UHFFFAOYSA-N;141.13;-0.64;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP1_SP3";;;;;;;-1.93;;-4.72;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM397334;MM397334;CCNCC(CC)=C(F)F;DBSHJGVJOGKLQN-UHFFFAOYSA-N;149.18;2.16;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1_C1";;;;;;;2.08;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM397335;MM397335;CCNCC(CF)=C(F)F;BRNNEAJIOWTVMI-UHFFFAOYSA-N;153.15;1.72;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1_C4";;;;;;;1.37;;-1.2;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM397336;MM397336;COc1cc(N)n[nH]c1=O;CIFFSNSUUYEHJB-UHFFFAOYSA-N;141.13;-0.64;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP1_SP3";;;;;;;-1.93;;-4.72;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM397337;MM397337;CCOCC(CO)=C(C)F;LIDONYWREADQRP-UHFFFAOYSA-N;148.18;1.26;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_Nda";;;;;;;0.87;;-1.99;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM397338;MM397338;CC(=CF)C(=NN)NN;QSQZKDVBWNJXDY-UHFFFAOYSA-N;132.14;-0.4;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4_P4";;;;;;;0.15;;-2.18;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM397339;MM397339;CCOCC(OC)=C(C)C;ZCPVJWBJOXGOBQ-UHFFFAOYSA-N;144.21;1.96;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_C4";;;;;;;2.2;;0.34;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM397340;MM397340;C=CN(C=O)NC=NN;DBUSJUVQYNSUQB-UHFFFAOYSA-N;128.14;-1.01;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_P2";;;;;;;-1.06;;-3.82;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM397341;MM397341;CCOCC(OC)=C(C)F;YCEMXYOZRIJACV-UHFFFAOYSA-N;148.18;1.87;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_C5";;;;;;;1.64;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM397342;MM397342;N=CN(C=O)NC=NN;JBMSPNIVWBWSGL-UHFFFAOYSA-N;129.12;-1.54;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_P4";;;;;;;-2.01;;-5.13;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM397343;MM397343;CCOCC(OC)=C(F)F;GCYNVHPYEKIYNE-UHFFFAOYSA-N;152.14;1.78;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_C5";;;;;;;1.64;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM397344;MM397344;CCC1(CO)C=CC=C1;KHRWTTSFCGSRIM-UHFFFAOYSA-N;124.18;1.5;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC5_SC5";;;;;;;2.41;;0.64;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM397345;MM397345;CCCOC(CO)=C(C)C;ZMARWRQBGKALPH-UHFFFAOYSA-N;144.21;1.7;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_Nda";;;;;;;0.87;;-1.99;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM397346;MM397346;C=CC1CC(=NN)NO1;RTVLHPYESHADJT-UHFFFAOYSA-N;127.15;-0.26;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP2_SP1";;;;;;;-1.06;;-3.82;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM397347;MM397347;CC(C)=C(CO)OCCN;OAHZMCNJVQOATA-UHFFFAOYSA-N;145.2;0.25;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1_P1";;;;;;;-0.79;;-5.16;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM397348;MM397348;C#CC1CC(=NN)NO1;HPAYGQJSCXOLNA-UHFFFAOYSA-N;125.13;-0.81;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP2_SP1";;;;;;;-1.06;;-3.82;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM397349;MM397349;CC(C)=C(CO)OCCF;BGLQQTLPBAUODH-UHFFFAOYSA-N;148.18;1.26;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_C5";;;;;;;0.81;;-0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM397350;MM397350;CC(O)C(O)C#CC(=O)O;QUAAXJNNMIWVNH-UHFFFAOYSA-N;144.13;-1.18;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_P2";;;;;;;-1.06;;-8.38;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM397351;MM397351;CC(C)=C(CF)OCCN;MOMXDRNBVNYXBU-UHFFFAOYSA-N;147.19;1.23;;;;;DOPC;MDCG;27;1;"MARTINI bead: C4_P3";;;;;;;0.23;;-3.03;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM397352;MM397352;COC(C#CC(=O)O)CO;LJICNGFDFGUYGR-UHFFFAOYSA-N;144.13;-0.92;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_P1";;;;;;;-0.79;;-7.8;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM397353;MM397353;CCCOC(CO)=C(C)F;RPPPVZULOJJVLO-UHFFFAOYSA-N;148.18;1.61;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_Nda";;;;;;;0.87;;-1.99;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM397354;MM397354;O=C(O)C(=NO)OCCO;ZBGHMWSSJROFFM-UHFFFAOYSA-N;149.1;-1.13;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_P2";;;;;;;-1.06;;-8.38;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM397355;MM397355;CC(F)=C(CO)OCCF;AYYXQOSQALGLQY-UHFFFAOYSA-N;152.14;1.17;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_C5";;;;;;;0.81;;-0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM397356;MM397356;N#CC(O)(C#N)C=NO;KGEGKVNKKYTEMB-UHFFFAOYSA-N;125.09;-0.78;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_P2";;;;;;;-1.06;;-8.38;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM397357;MM397357;CCCOC(CO)=C(F)F;FFRWCWABSJPUBE-UHFFFAOYSA-N;152.14;1.51;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_Nda";;;;;;;0.87;;-1.99;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM397358;MM397358;CC(=O)OC(N)=CC(=O)O;BPQULRVHGOLFMD-UHFFFAOYSA-N;145.11;-0.57;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_P2";;;;;;;-0.24;;-7.82;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM397359;MM397359;CC(F)=C(CF)CCC=O;XEWAQMMVNFAVGH-UHFFFAOYSA-N;148.15;2.18;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_Na";;;;;;;1.64;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM397360;MM397360;CC=NNC(=O)C(=O)O;AZFLEJBMOCEVCC-UHFFFAOYSA-N;130.1;-0.81;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_P1";;;;;;;-0.79;;-7.8;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM397361;MM397361;CCC(CCC=O)=C(F)F;YLSPYVLUTCVBDA-UHFFFAOYSA-N;148.15;2.53;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_C1";;;;;;;2.91;;0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM397362;MM397362;CC=C1NC(=NN)CO1;XDWPFYPBDMJPFI-UHFFFAOYSA-N;127.15;-0.26;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNda_SP2";;;;;;;-0.24;;-3.31;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM397363;MM397363;O=CCCC(CF)=C(F)F;UBWLDDOGTVMBLD-UHFFFAOYSA-N;152.12;2.09;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4_Na";;;;;;;2.2;;0.34;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM397364;MM397364;NN=C1CCC(=O)ON1;VFAKRMRCDVZTOU-UHFFFAOYSA-N;129.12;-0.9;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP1_SP1";;;;;;;-0.79;;-3.13;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM397365;MM397365;COC(CCC#N)=C(C)F;XIUFRVPTFLLEMQ-UHFFFAOYSA-N;143.16;2.14;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4_P1";;;;;;;1.37;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM397366;MM397366;Nn1[nH]oc(=O)c1=O;OUHFEBGWLPQDHI-UHFFFAOYSA-N;117.06;-2.16;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP2_SP2";;;;;;;-1.34;;-8.88;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM397367;MM397367;COC(CCC#N)=C(F)F;DIIIUPUXDWKAMQ-UHFFFAOYSA-N;147.12;2.04;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4_P1";;;;;;;1.37;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM397368;MM397368;C=Cc1cc(=O)[nH]nc1N;XFUIVRVDZRZJHB-UHFFFAOYSA-N;137.14;;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP3_SP1";;;;;;;-1.93;;-4.72;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM397369;MM397369;CCC(CNC=N)=C(C)C;LQYHZQHWXPFMNO-UHFFFAOYSA-N;140.23;1.93;;;;;DOPC;MDCG;27;1;"MARTINI bead: C1_P3";;;;;;;0.94;;-3.56;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM397370;MM397370;Nc1n[nH]c(=O)cc1C=O;CAAYQVMFTSGUGM-UHFFFAOYSA-N;139.11;-0.84;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP3_SP2";;;;;;;-2.2;;-5.19;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM397371;MM397371;CC(C)=C(CO)CNC=O;CYANLIRNWUOCDU-UHFFFAOYSA-N;143.19;0.06;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_P3";;;;;;;-0.33;;-2.01;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM397372;MM397372;C=Cc1cc(N)n[nH]c1=O;GXQMHWRVXMGBDR-UHFFFAOYSA-N;137.14;;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP1_SP3";;;;;;;-1.93;;-4.72;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM397373;MM397373;CNc1nc(=O)n(NC)o1;HKSUCIDPQOHSCO-UHFFFAOYSA-N;144.13;-0.95;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNda_SP2";;;;;;;-0.24;;-3.31;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM397374;MM397374;C=CC1NC1C(=O)O;JNFCBQUMLMYNIM-UHFFFAOYSA-N;113.12;-0.4;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_SP1";;;;;;;-0.79;;-7.8;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM397375;MM397375;COC(C=O)CN1CC1;BCYPVILYWCEJRC-UHFFFAOYSA-N;129.16;-0.48;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_SP1";;;;;;;-0.79;;-3.13;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM397376;MM397376;CC(F)=C(CO)CNC=N;XERUJKVKAWVURE-UHFFFAOYSA-N;146.17;0.42;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nda_P3";;;;;;;-1.1;;-7.6;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM397377;MM397377;NN=C(CF)NC1CC1;YBXCTBWXPLUVKH-UHFFFAOYSA-N;131.15;-0.02;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_SC5";;;;;;;0.54;;-1.09;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM397378;MM397378;CCC(CNC=N)=C(F)F;UTPGLZRBSIWCKK-UHFFFAOYSA-N;148.16;1.74;;;;;DOPC;MDCG;27;1;"MARTINI bead: P3_C1";;;;;;;0.94;;-3.48;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM397379;MM397379;NN=c1ccncn1N;BQUIIOPIZCFMLV-UHFFFAOYSA-N;125.14;-1.63;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP3_SP1";;;;;;;-1.93;;-4.72;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM397380;MM397380;CCC(CNC=O)=C(F)F;RFBRXMLFFAYGFM-UHFFFAOYSA-N;149.14;1.29;;;;;DOPC;MDCG;27;0;"MARTINI bead: P3_C1";;;;;;;0.94;;0.03;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM397381;MM397381;Cn1nnccc1=NN;OTZINIVSQHZOEB-UHFFFAOYSA-N;125.14;-1.41;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP2_SP2";;;;;;;-1.34;;-4.31;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM397382;MM397382;N=CNCC(CF)=C(F)F;YSIKSGIHILJSFX-UHFFFAOYSA-N;152.12;1.3;;;;;DOPC;MDCG;27;1;"MARTINI bead: P3_C4";;;;;;;0.23;;-4.71;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM397383;MM397383;C#CC(C)=CC(C)(O)CC;LZQAPFLATKDWHJ-UHFFFAOYSA-N;138.21;1.73;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda_C5";;;;;;;1.64;;0.05;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM397384;MM397384;C#Cc1[nH]cc(CC)c1N;DZLRDRXCCVTXNV-UHFFFAOYSA-N;134.18;1.14;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC5_SNd";;;;;;;1.64;;0.02;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM397385;MM397385;C=CC(C)(O)CCCCC;DRKRLMZMGTWUSQ-UHFFFAOYSA-N;142.24;2.5;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1_Nda";;;;;;;2.91;;0.57;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM397386;MM397386;COC(CNC=O)=C(C)F;VMTZSJRKQKLNJW-UHFFFAOYSA-N;147.15;0.58;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4_P3";;;;;;;0.23;;-1.03;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM397387;MM397387;C=NNC(CC(=O)O)=NC;HMHGMLAYLDHBQX-UHFFFAOYSA-N;143.15;-0.31;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_P1";;;;;;;-0.79;;-7.8;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM397388;MM397388;COC(CNC=O)=C(F)F;WXSXQODIGXEXFE-UHFFFAOYSA-N;151.11;0.49;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4_P3";;;;;;;0.23;;-1.03;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM397389;MM397389;N=C(NN)ON=CC(=O)O;LOVWPOKDYMKLDU-UHFFFAOYSA-N;146.11;-1.53;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_P1";;;;;;;-1.06;;-8.38;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM397390;MM397390;C=NNCC(OC)=C(C)F;QFXUGHTUWANXHO-UHFFFAOYSA-N;146.17;1.04;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_P2";;;;;;;0.54;;-1.09;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM397391;MM397391;O=C(O)C(=O)N1CC1;AYBOCCBAKJKXMA-UHFFFAOYSA-N;115.09;-1.09;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_SP2";;;;;;;-1.06;;-8.38;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM397392;MM397392;CCC(O)C1CC1CC#N;OVSNHLRUZVCRMB-UHFFFAOYSA-N;139.2;1.31;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda_SC5";;;;;;;1.64;;0.05;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM397393;MM397393;C=CCC(=O)C(=O)NOC;KOOXFVWMNQAMHU-UHFFFAOYSA-N;143.14;-0.19;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_Na";;;;;;;-0.24;;-7.83;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM397394;MM397394;C=COCC(CN)=C(C)F;MJACVMXYRIPMON-UHFFFAOYSA-N;145.18;1.35;;;;;DOPC;MDCG;27;1;"MARTINI bead: C5_P1";;;;;;;0.81;;-2.57;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM397395;MM397395;CCONC(=O)C(O)C#N;KEQPGWRWXXWIAX-UHFFFAOYSA-N;144.13;-1.06;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_P2";;;;;;;-1.06;;-8.38;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM397396;MM397396;C=COCC(CO)=C(C)F;VLPUODQKEFAFDG-UHFFFAOYSA-N;146.16;1.38;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda_Na";;;;;;;0.87;;-1.99;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM397397;MM397397;CC(O)(C#CC(=O)O)CO;BSLOPAUIAFMXIC-UHFFFAOYSA-N;144.13;-1.18;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_P1";;;;;;;-1.06;;-8.38;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM397398;MM397398;CCC(COC=O)=C(F)F;RWNATLLRCQQGBH-UHFFFAOYSA-N;150.12;1.72;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_C1";;;;;;;2.08;;0.48;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM397399;MM397399;C#Cc1cc(=O)[nH]nc1N;KIMRNKSGDSGBSP-UHFFFAOYSA-N;135.13;-0.67;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP3_SP1";;;;;;;-1.93;;-4.72;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM397400;MM397400;C=COCC(CN)=C(F)F;SJVUBDZACVXYIX-UHFFFAOYSA-N;149.14;1.26;;;;;DOPC;MDCG;27;1;"MARTINI bead: Na_Nd";;;;;;;0.87;;-3.89;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM397401;MM397401;C#Cc1cc(N)n[nH]c1=O;DBUMNMZOVUALLP-UHFFFAOYSA-N;135.13;-0.67;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP1_SP3";;;;;;;-1.93;;-4.72;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM397402;MM397402;C=CC=CCNN=CC=O;HWMVSNXTRMYQCH-UHFFFAOYSA-N;138.17;0.5;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4_P1";;;;;;;1.37;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM397403;MM397403;C=CC(C)(O)CCCCF;UEACADPDTDFFDM-UHFFFAOYSA-N;146.21;2.06;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda_C4";;;;;;;2.2;;0.49;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM397404;MM397404;CC=CC=CC(=O)C1CN1;IVHNESWYPZXHPX-UHFFFAOYSA-N;137.18;0.66;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4_SP2";;;;;;;1.09;;-0.37;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM397405;MM397405;CCCC=CC(C)(O)CC;IYSDPVZVXOOJJY-UHFFFAOYSA-N;142.24;2.5;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1_Nda";;;;;;;2.91;;0.57;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM397406;MM397406;C=COCC(OC)=C(C)C;DNRJYAGRZFXWOD-UHFFFAOYSA-N;142.2;2.09;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4_Na";;;;;;;2.2;;0.34;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM397407;MM397407;CN(C)N=c1onc(O)o1;NEEZKAFFUNTKNS-UHFFFAOYSA-N;145.12;-0.65;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_SP3";;;;;;;-1.93;;-8.89;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM397408;MM397408;COC(COC=O)=C(C)C;IRFPBMJWXJKILG-UHFFFAOYSA-N;144.17;1.1;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4_P1";;;;;;;1.37;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM397409;MM397409;CCNN=c1onc(O)o1;DMGSGUNJANQWTL-UHFFFAOYSA-N;145.12;-0.6;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_SP3";;;;;;;-1.93;;-8.89;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM397410;MM397410;C=COCC(OC)=C(C)F;LIJYARFLPZHAEB-UHFFFAOYSA-N;146.16;1.99;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_Na";;;;;;;1.64;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM397411;MM397411;CCc1cc(=O)ccn1C;WGRLTUULEIMFOD-UHFFFAOYSA-N;137.18;0.95;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC5_SP1";;;;;;;0.81;;-0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM397412;MM397412;COC(COC=O)=C(C)F;WKUPNTDQMZQTAF-UHFFFAOYSA-N;148.13;1.01;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_P1";;;;;;;0.81;;-0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM397413;MM397413;Cn1ccc(=O)cc1CN;PZFFPXZHSWFQOY-UHFFFAOYSA-N;138.17;-0.16;;;;;DOPC;MDCG;27;1;"MARTINI bead: SP1_SP1";;;;;;;-0.79;;-4.49;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM397414;MM397414;C=COCC(OC)=C(F)F;CIFSPXPHYVHYSF-UHFFFAOYSA-N;150.12;1.9;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_Na";;;;;;;1.64;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM397415;MM397415;Cn1ccc(=O)cc1CO;RONNHGABSFDWKU-UHFFFAOYSA-N;139.15;-0.12;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP1_SNda";;;;;;;0.04;;-2.73;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM397416;MM397416;COC(COC=O)=C(F)F;WSYLNIKNIKBMMF-UHFFFAOYSA-N;152.1;0.91;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_P1";;;;;;;0.81;;-0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM397417;MM397417;Cn1ccc(=O)cc1CF;GQIAYZNEJJYYMQ-UHFFFAOYSA-N;141.15;0.85;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP1_SNa";;;;;;;0.04;;-2.54;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM397418;MM397418;C=NOCC(OC)=C(C)C;KGZFCSJPDNBQDN-UHFFFAOYSA-N;143.19;1.56;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4_P1";;;;;;;1.37;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM397419;MM397419;CCc1cc(=O)ccn1N;YPADLGLHEASICV-UHFFFAOYSA-N;138.17;0.12;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC5_SP2";;;;;;;0.54;;-1.09;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM397420;MM397420;C=NOCC(OC)=C(C)F;YGGRGCKMVFFMDI-UHFFFAOYSA-N;147.15;1.47;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_P1";;;;;;;0.81;;-0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM397421;MM397421;CC(C)(CF)N(N)C=NN;OMJKQTFFTBDKIE-UHFFFAOYSA-N;148.19;-0.19;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda_P1";;;;;;;0.04;;-2.73;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM397422;MM397422;C=NOCC(OC)=C(F)F;MXKUYVNUVQFMTQ-UHFFFAOYSA-N;151.11;1.37;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_P1";;;;;;;0.81;;-0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM397423;MM397423;Nn1ccc(=O)cc1CF;GFQHOJNSILZWOA-UHFFFAOYSA-N;142.13;0.03;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP2_SNa";;;;;;;-0.24;;-3.24;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM397424;MM397424;C=CCOC(CO)=C(C)C;MKTUEYKSYGCYRR-UHFFFAOYSA-N;142.2;1.48;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda_Na";;;;;;;0.87;;-1.99;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM397425;MM397425;CCc1cc(=O)ccn1O;JCVVMPSAXYJRRP-UHFFFAOYSA-N;139.15;0.65;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC5_SP2";;;;;;;0.54;;-1.09;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM397426;MM397426;C#CCCC(CN)=C(C)F;SFQQXIGBHHRYIN-UHFFFAOYSA-N;141.19;1.6;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nda_C5";;;;;;;1.64;;-2.03;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM397427;MM397427;O=c1ccn(O)c(CO)c1;RELSFEPNSRCBPV-UHFFFAOYSA-N;141.13;-0.42;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNda_SP2";;;;;;;-0.24;;-3.31;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM397428;MM397428;C#CCOC(CN)=C(C)F;YKOVTNAWBBFVAG-UHFFFAOYSA-N;143.16;0.8;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1_N0";;;;;;;0.34;;-2.88;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM397429;MM397429;O=c1ccn(O)c(CF)c1;TTZDULKLIOCPFI-UHFFFAOYSA-N;143.12;0.56;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP2_SNa";;;;;;;-0.24;;-3.24;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM397430;MM397430;C#CCOC(CN)=C(F)F;GLVPXBVWMNRBPX-UHFFFAOYSA-N;147.12;0.7;;;;;DOPC;MDCG;27;1;"MARTINI bead: P2_C4";;;;;;;1.09;;-1.61;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM397431;MM397431;CNc1cc(=O)ccn1C;JVNUIAZJSSNQIE-UHFFFAOYSA-N;138.17;0.43;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNd_SP1";;;;;;;0.04;;-2.63;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM397432;MM397432;C#CCOC(CO)=C(F)F;LICUHWBEZNPZBC-UHFFFAOYSA-N;148.11;0.74;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda_N0";;;;;;;1.17;;-1.13;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM397433;MM397433;CNc1cc(=O)ccn1N;QGCLQXHCHURYIG-UHFFFAOYSA-N;139.16;-0.4;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNd_SP2";;;;;;;-0.24;;-3.16;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM397434;MM397434;C#CC(C)(C)C(C)O;RTLIPWPBSWZKLT-UHFFFAOYSA-N;112.17;1.03;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_C4";;;;;;;1.37;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM397435;MM397435;CNc1cc(=O)ccn1O;AKCKNNRTIGKKEH-UHFFFAOYSA-N;140.14;0.13;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNd_SP2";;;;;;;-0.24;;-3.16;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM397436;MM397436;CC(C)=C(C#N)CCCO;BJEWWLLWOVUAHN-UHFFFAOYSA-N;139.2;1.62;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_P1";;;;;;;0.81;;-0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM397437;MM397437;COc1cc(=O)ccn1C;SOSBYIQGIFQPKM-UHFFFAOYSA-N;139.15;0.39;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNa_SP1";;;;;;;0.04;;-2.54;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM397438;MM397438;CC(C)=C(C#N)CCCF;YOAUPTQWMYRACW-UHFFFAOYSA-N;141.19;2.6;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_C5";;;;;;;2.41;;0.64;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM397439;MM397439;COc1cc(=O)ccn1N;JEENXNWNRMEQAF-UHFFFAOYSA-N;140.14;-0.43;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNa_SP2";;;;;;;-0.24;;-3.24;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM397440;MM397440;C=CC(CCCN)=C(C)F;RLSJADQLVRQCID-UHFFFAOYSA-N;143.21;2.15;;;;;DOPC;MDCG;27;1;"MARTINI bead: C1_P1";;;;;;;2.08;;-1.17;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM397441;MM397441;COc1cc(=O)ccn1O;CIFFZKOCLPNIAJ-UHFFFAOYSA-N;141.13;0.09;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNa_SP2";;;;;;;-0.24;;-3.24;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM397442;MM397442;CC(F)=C(C=O)CCCF;SALSKSYNUXNGAY-UHFFFAOYSA-N;148.15;2.18;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_C5";;;;;;;1.64;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM397443;MM397443;CCCCC(C=O)=C(N)N;WPUGUYRHCQAYAB-UHFFFAOYSA-N;142.2;0.5;;;;;DOPC;MDCG;27;0;"MARTINI bead: C3_P3";;;;;;;0.6;;-0.8;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM397444;MM397444;CCc1cc(=N)ncn1C;ZOXAPEZQJHOCAI-UHFFFAOYSA-N;137.19;0.46;;;;;DOPC;MDCG;27;1;"MARTINI bead: SN0_SP2";;;;;;;0.06;;-4.67;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM397445;MM397445;NC(N)=C(C=O)CCCF;KWPMRHCLLUMYCF-UHFFFAOYSA-N;146.17;0.06;;;;;DOPC;MDCG;27;0;"MARTINI bead: P3_C5";;;;;;;-0.33;;-2.01;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM397446;MM397446;Cn1cnc(=N)cc1CN;CZKWICCMELNGDT-UHFFFAOYSA-N;138.17;-0.64;;;;;DOPC;MDCG;27;1;"MARTINI bead: SP2_SP2";;;;;;;-1.34;;-6.51;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM397447;MM397447;C=CC(CCCN)=C(F)F;FSZFURKSWWLIDN-UHFFFAOYSA-N;147.17;2.06;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1_C3";;;;;;;1.74;;-2.11;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM397448;MM397448;Cn1cnc(=N)cc1CO;DDNDHXKFWGQGPJ-UHFFFAOYSA-N;139.16;-0.61;;;;;DOPC;MDCG;27;1;"MARTINI bead: SP2_SP1";;;;;;;-1.06;;-5.79;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM397449;MM397449;C=CC(CCCF)=C(F)F;HSPXJIPUZKCLKA-UHFFFAOYSA-N;150.14;3.07;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_C3";;;;;;;3.34;;0.48;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM397450;MM397450;Cn1cnc(=N)cc1CF;HDSJOBGLFUEQOS-UHFFFAOYSA-N;141.15;0.37;;;;;DOPC;MDCG;27;1;"MARTINI bead: SP2_SNa";;;;;;;-0.24;;-5.11;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM397451;MM397451;N#CC(CCCO)=C(F)F;PUFOTGFRWMOEKR-UHFFFAOYSA-N;147.12;1.43;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_C4";;;;;;;1.37;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM397452;MM397452;CCc1cc(=O)ncn1C;YVGIDGWJCBBATB-UHFFFAOYSA-N;138.17;0.34;;;;;DOPC;MDCG;27;0;"MARTINI bead: SN0_SP2";;;;;;;0.06;;-2.21;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM397453;MM397453;O=CC(CCCF)=C(F)F;MESWRTMTIQDFJZ-UHFFFAOYSA-N;152.12;2.09;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_Na";;;;;;;1.64;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM397454;MM397454;Cn1cnc(=O)cc1CO;QWROQZFMBDOBPN-UHFFFAOYSA-N;140.14;-0.73;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP2_SP1";;;;;;;-1.06;;-3.82;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM397455;MM397455;C=CC(CCNC)=C(C)C;JETRIHPPFQZLIV-UHFFFAOYSA-N;139.24;2.12;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1_C1";;;;;;;2.08;;-1.43;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM397456;MM397456;Cn1cnc(=O)cc1CF;WZBROWVZHZCLDA-UHFFFAOYSA-N;142.13;0.25;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP2_SNa";;;;;;;-0.24;;-3.24;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM397457;MM397457;CNCCC(C#N)=C(C)C;KBWFQTRHZIODGR-UHFFFAOYSA-N;138.21;1.46;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1_C5";;;;;;;0.81;;-2.55;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM397458;MM397458;CCc1cc(=N)ncn1N;WQALCNZNRCVRAP-UHFFFAOYSA-N;138.17;-0.36;;;;;DOPC;MDCG;27;1;"MARTINI bead: SN0_SP3";;;;;;;-0.8;;-4.43;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM397459;MM397459;CNCCC(C=O)=C(C)N;NZWSCANOIVBLHK-UHFFFAOYSA-N;142.2;0.03;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1_P1";;;;;;;-0.79;;-5.89;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM397460;MM397460;CCc1cc(=O)ncn1N;UPVJDGKPRWFXBG-UHFFFAOYSA-N;139.16;-0.48;;;;;DOPC;MDCG;27;0;"MARTINI bead: SN0_SP3";;;;;;;-0.8;;-2.99;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM397461;MM397461;C=CC(CCNC)=C(F)F;MGLGVGBQKHYWQU-UHFFFAOYSA-N;147.17;1.93;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1_C3";;;;;;;1.74;;-2.37;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM397462;MM397462;C#CCC1(O)CC1C(=C)C;VUEQLAUHHVEPFD-UHFFFAOYSA-N;136.19;1.34;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4_SNda";;;;;;;2.2;;0.49;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM397463;MM397463;COCCC(C=O)=C(C)C;OFOBRHFMHWNICP-UHFFFAOYSA-N;142.2;1.56;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_C5";;;;;;;0.81;;-0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM397464;MM397464;Nn1cnc(=O)cc1CF;LFJQFHINFDPZQC-UHFFFAOYSA-N;143.12;-0.57;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP3_SNa";;;;;;;-1.1;;-4.2;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM397465;MM397465;C=CC(CNCC)=C(C)C;CUCNLDWUPBXJMU-UHFFFAOYSA-N;139.24;2.12;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1_C1";;;;;;;2.08;;-0.82;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM397466;MM397466;C=C(C)C1(C)CC1C(C)O;INOPGLFYMZVRTH-UHFFFAOYSA-N;140.23;1.97;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_SC3";;;;;;;1.74;;0.29;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM397467;MM397467;CCNCC(C=O)=C(C)C;GQOMEMKURYVWMU-UHFFFAOYSA-N;141.21;1.13;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_N0";;;;;;;1.17;;-2.84;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM397468;MM397468;CCc1cc(=O)ncn1O;RQYGMCKTVYUYGI-UHFFFAOYSA-N;140.14;0.04;;;;;DOPC;MDCG;27;0;"MARTINI bead: SN0_SP3";;;;;;;-0.8;;-2.99;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM397469;MM397469;C=CC(CNCC)=C(C)F;HAXSYZBJTIKLGM-UHFFFAOYSA-N;143.21;2.03;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1_C1";;;;;;;2.08;;-0.4;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM397470;MM397470;O=c1cc(CO)n(O)cn1;FLIFELLIDMXZEF-UHFFFAOYSA-N;142.11;-1.03;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP1_SP3";;;;;;;-1.93;;-4.72;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM397471;MM397471;C=CC(CNCC)=C(F)F;XEWDNPDFROSCKN-UHFFFAOYSA-N;147.17;1.93;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1_C3";;;;;;;1.74;;-0.79;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM397472;MM397472;CNc1cc(=N)ncn1C;PEEXZEMGNJADJD-UHFFFAOYSA-N;138.17;-0.06;;;;;DOPC;MDCG;27;1;"MARTINI bead: SNd_SP2";;;;;;;-0.24;;-6.28;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM397473;MM397473;CC(C)=C(C#N)OCCO;CVGGSXVCTDFDHF-UHFFFAOYSA-N;141.17;0.81;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_P1";;;;;;;0.04;;-2.54;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM397474;MM397474;CNc1cc(=O)ncn1C;HOWWLPFGVAKAAJ-UHFFFAOYSA-N;139.16;-0.18;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNd_SP2";;;;;;;-0.24;;-3.16;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM397475;MM397475;CC(C)=C(C#N)OCCF;SHGYANRQDJKDBX-UHFFFAOYSA-N;143.16;1.79;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_P2";;;;;;;0.54;;-1.09;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM397476;MM397476;CNc1cc(=N)ncn1N;YUMPQGUINBYNET-UHFFFAOYSA-N;139.16;-0.88;;;;;DOPC;MDCG;27;1;"MARTINI bead: SNd_SP3";;;;;;;-1.1;;-6.24;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM397477;MM397477;CCCOC(C#N)=C(C)N;BKOGPNRGWAVXGD-UHFFFAOYSA-N;140.19;1.13;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_Nd";;;;;;;0.87;;-1.88;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM397478;MM397478;CNc1cc(=O)ncn1N;VFNVRUCNPASRAD-UHFFFAOYSA-N;140.15;-1;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNd_SP3";;;;;;;-1.1;;-3.93;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM397479;MM397479;CC(C)C1CC1(C)O;RGQRVUROKCZJHG-UHFFFAOYSA-N;114.19;1.41;;;;;DOPC;MDCG;27;0;"MARTINI bead: C3_SNda";;;;;;;2.57;;0.44;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM397480;MM397480;CNc1cc(=O)ncn1O;YDMWLFLBFXVJJN-UHFFFAOYSA-N;141.13;-0.48;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNd_SP3";;;;;;;-1.1;;-3.93;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM397481;MM397481;C=CC(OCCO)=C(C)F;AYTWXIIFRIDJSD-UHFFFAOYSA-N;146.16;1.38;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_P1";;;;;;;0.81;;-0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM397482;MM397482;COc1cc(=O)ncn1C;PPRHFPIGLVDGIN-UHFFFAOYSA-N;140.14;-0.21;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNa_SP2";;;;;;;-0.24;;-3.24;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM397483;MM397483;CCCOC(C#N)=C(C)F;JLXJSBZYIYMGRW-UHFFFAOYSA-N;143.16;2.14;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_C5";;;;;;;1.64;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM397484;MM397484;COc1cc(=O)ncn1N;VKLGSKVJXPLTEE-UHFFFAOYSA-N;141.13;-1.03;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNa_SP3";;;;;;;-1.1;;-4.2;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM397485;MM397485;NC(N)=C(C=O)OCCO;DWMNNKYHASOHSV-UHFFFAOYSA-N;146.15;-1.72;;;;;DOPC;MDCG;27;0;"MARTINI bead: P5_P1";;;;;;;-1.94;;-5.95;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM397486;MM397486;C=C(C)C1(C)CCC(O)C1;VEILMFKLKZFJQA-UHFFFAOYSA-N;140.23;2.11;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC1_SNda";;;;;;;2.91;;0.57;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM397487;MM397487;CC1(C)CC(C=O)=NN1;UQTHHPWAHZHXCH-UHFFFAOYSA-N;126.16;0.31;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNd_SP1";;;;;;;0.04;;-2.63;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM397488;MM397488;COc1cc(=O)ncn1O;SAOVIEVUYYWHPB-UHFFFAOYSA-N;142.11;-0.51;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNa_SP3";;;;;;;-1.1;;-4.2;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM397489;MM397489;COCOC(C#N)=C(C)C;MECIPRCFVZJBBU-UHFFFAOYSA-N;141.17;1.42;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_C5";;;;;;;0.54;;-1.09;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM397490;MM397490;CCc1cc(=N)nnn1C;MDOKWMILZRYWOH-UHFFFAOYSA-N;138.17;-0.14;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP1_SP2";;;;;;;-1.06;;-3.82;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM397491;MM397491;COCOC(C=O)=C(C)F;UCRZPPMCSUYYFL-UHFFFAOYSA-N;148.13;1.01;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_P2";;;;;;;0.54;;-1.09;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM397492;MM397492;Cn1nnc(=N)cc1CN;RPTOQZMPNVBLFJ-UHFFFAOYSA-N;139.16;-1.25;;;;;DOPC;MDCG;27;1;"MARTINI bead: SP2_SP3";;;;;;;-2.2;;-6.88;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM397493;MM397493;COCOC(C=O)=C(N)N;LONYBOOQXCPWTI-UHFFFAOYSA-N;146.15;-1.11;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_P2";;;;;;;-1.34;;-4.31;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM397494;MM397494;Cn1nnc(=N)cc1CO;SLZYYHBMWCOTAH-UHFFFAOYSA-N;140.15;-1.21;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP1_SP3";;;;;;;-1.93;;-4.72;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM397495;MM397495;COCOC(C#N)=C(F)F;DFNBNUXSJNGOOL-UHFFFAOYSA-N;149.1;1.24;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_C4";;;;;;;1.09;;-0.38;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM397496;MM397496;Cn1nnc(=N)cc1CF;WZTFAZCHRVZCBY-UHFFFAOYSA-N;142.14;-0.24;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP3_SNa";;;;;;;-1.1;;-4.2;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM397497;MM397497;C=CCCC(C=O)=C(C)N;JLSMUAXTWSQSJF-UHFFFAOYSA-N;139.2;1.38;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_C4";;;;;;;1.37;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM397498;MM397498;CCc1cc(=O)nnn1C;WCXSEVALYJMXKJ-UHFFFAOYSA-N;139.16;-0.26;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP1_SP2";;;;;;;-1.06;;-3.82;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM397499;MM397499;CC(N)=C(C=O)CCC=O;DJCPVJJAKOOHQX-UHFFFAOYSA-N;141.17;0.4;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_Na";;;;;;;0.04;;-2.54;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM397500;MM397500;Cn1nnc(=O)cc1CN;QWZCWMKCSSOYBQ-UHFFFAOYSA-N;140.15;-1.37;;;;;DOPC;MDCG;27;1;"MARTINI bead: SP2_SP3";;;;;;;-2.2;;-6.49;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM397501;MM397501;C=CC(CCC=O)=C(C)F;ZRUUMRIXKKALEE-UHFFFAOYSA-N;142.17;2.4;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_N0";;;;;;;1.94;;0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM397502;MM397502;Cn1nnc(=O)cc1CO;UHJXVATWPMSROK-UHFFFAOYSA-N;141.13;-1.33;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP1_SP3";;;;;;;-1.93;;-4.72;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM397503;MM397503;C=CC(CCC=O)=C(F)F;MGNIUDOZEVNVNP-UHFFFAOYSA-N;146.14;2.3;;;;;DOPC;MDCG;27;0;"MARTINI bead: C3_Na";;;;;;;2.57;;0.45;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM397504;MM397504;Cn1nnc(=O)cc1CF;JKSJOKIAYWEUQI-UHFFFAOYSA-N;143.12;-0.36;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP3_SNa";;;;;;;-1.1;;-4.2;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM397505;MM397505;CC(N)=C(C#N)CNC=N;MBKGYMUFGYHAQB-UHFFFAOYSA-N;138.17;-0.06;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_P3";;;;;;;-1.1;;-7.46;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM397506;MM397506;CCc1cc(=N)nnn1N;ZXKDUDVCBWHNBL-UHFFFAOYSA-N;139.16;-0.97;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP1_SP2";;;;;;;-1.06;;-3.82;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM397507;MM397507;CC(=O)C1(C)NC1C#N;AUHHXEMWQSIALM-UHFFFAOYSA-N;124.14;-0.17;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_SP2";;;;;;;-0.24;;-3.24;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM397508;MM397508;COC(=O)CN(N)C=NN;WWRFTHGCPLKGJC-UHFFFAOYSA-N;146.15;-1.76;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_P2";;;;;;;-1.06;;-3.82;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM397509;MM397509;C=CC(CNC=O)=C(C)F;KJBRDXDHBXFKBR-UHFFFAOYSA-N;143.16;1.16;;;;;DOPC;MDCG;27;0;"MARTINI bead: C3_P3";;;;;;;0.6;;-0.8;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM397510;MM397510;N=c1cc(CF)n(N)nn1;UXXSUSPXNFZEDX-UHFFFAOYSA-N;143.13;-1.06;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP3_SP1";;;;;;;-1.93;;-4.72;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM397511;MM397511;CC(F)=C(C=O)CNC=O;IVQDBTQCTGLJCP-UHFFFAOYSA-N;145.13;0.17;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda_P2";;;;;;;-0.24;;-3.31;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM397512;MM397512;CCc1cc(=O)nnn1N;PAYQWJWMLGNFOS-UHFFFAOYSA-N;140.15;-1.09;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP1_SP3";;;;;;;-1.93;;-4.72;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM397513;MM397513;CC1=CC2C(C1)C2(C)O;GMRQIVHTBZAGJX-UHFFFAOYSA-N;124.18;1.33;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC4_SNda";;;;;;;2.2;;0.49;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM397514;MM397514;CC=C(F)CN(N)C=NN;YNEMDPDDFRNLRB-UHFFFAOYSA-N;146.17;-0.06;;;;;DOPC;MDCG;27;0;"MARTINI bead: C3_P4";;;;;;;0.52;;-1.59;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM397515;MM397515;N#CC(CNC=O)=C(F)F;NWVWSKSVNMCVKW-UHFFFAOYSA-N;146.1;0.41;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4_P3";;;;;;;0.23;;-1.03;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM397516;MM397516;Nn1nnc(=O)cc1CF;NBSNSDQYTVCCLD-UHFFFAOYSA-N;144.11;-1.18;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP1_SP3";;;;;;;-1.93;;-4.72;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM397517;MM397517;N#CC(=N)NC=CC=O;IPODMABPTPZBED-UHFFFAOYSA-N;123.12;-0.21;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_Na";;;;;;;-0.24;;-3.24;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM397518;MM397518;CCc1cc(=N)nnn1O;HEEVVJWJYNEGBU-UHFFFAOYSA-N;140.15;-0.44;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP1_SP2";;;;;;;-1.06;;-3.82;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM397519;MM397519;C=NN=CNC(=C)C=O;CQDOPBWWOJJNFS-UHFFFAOYSA-N;125.13;-0.07;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nd_Na";;;;;;;0.87;;-1.88;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM397520;MM397520;N=c1cc(CN)n(O)nn1;SIKWLDGSXIGIOM-UHFFFAOYSA-N;141.13;-1.55;;;;;DOPC;MDCG;27;1;"MARTINI bead: SP2_SP2";;;;;;;-1.34;;-5.64;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM397521;MM397521;CCOC(=NC=N)NN;QAYUGSZLRWIIFW-UHFFFAOYSA-N;130.15;-0.55;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_P4";;;;;;;-0.41;;-2.78;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM397522;MM397522;N=c1cc(CO)n(O)nn1;WQLKQZNZIPKFJS-UHFFFAOYSA-N;142.12;-1.51;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP2_SP2";;;;;;;-1.34;;-4.31;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM397523;MM397523;CN(N)C(C=NN)=NN;HLBIIVSGQGXZLC-UHFFFAOYSA-N;130.16;-1.99;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_P1";;;;;;;-1.06;;-3.82;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM397524;MM397524;N=c1cc(CF)n(O)nn1;VFGHSIKJSCOBTQ-UHFFFAOYSA-N;144.11;-0.54;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNda_SP3";;;;;;;-1.1;;-3.97;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM397525;MM397525;C=COCC(C=O)=C(C)C;HADQNPVVPKKVOI-UHFFFAOYSA-N;140.18;1.68;;;;;DOPC;MDCG;27;0;"MARTINI bead: N0_Na";;;;;;;1.17;;-1.18;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM397526;MM397526;CCc1cc(=O)nnn1O;HLXAXOWQBVSVEU-UHFFFAOYSA-N;141.13;-0.56;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP1_SP3";;;;;;;-1.93;;-4.72;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM397527;MM397527;CC(N)=C(C#N)COC=O;ACIVRUMTUUSHMI-UHFFFAOYSA-N;140.14;-0.08;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda_P2";;;;;;;-0.24;;-3.31;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM397528;MM397528;O=c1cc(CO)n(O)nn1;DXZRFHNMCPXROG-UHFFFAOYSA-N;143.1;-1.63;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP2_SP3";;;;;;;-2.2;;-5.19;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM397529;MM397529;CC(F)=C(C#N)COC=O;DMOHGURLFIRXCB-UHFFFAOYSA-N;143.12;0.93;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_P1";;;;;;;0.81;;-0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM397530;MM397530;O=c1cc(CF)n(O)nn1;WWLXXHKMZGNQAV-UHFFFAOYSA-N;145.09;-0.65;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP3_SNda";;;;;;;-1.1;;-3.97;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM397531;MM397531;C=COCC(C#N)=C(N)N;IIZKTZGWKUCHGD-UHFFFAOYSA-N;139.16;-0.2;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda_P2";;;;;;;-0.24;;-3.31;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM397532;MM397532;CNc1cc(=N)nnn1C;GWLUIANQXFLPQF-UHFFFAOYSA-N;139.16;-0.66;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP1_SP2";;;;;;;-1.06;;-3.82;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM397533;MM397533;N#CC(COC=O)=C(N)N;DYDBHZQRGUSPEM-UHFFFAOYSA-N;141.13;-1.19;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_P1";;;;;;;-0.79;;-3.13;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM397534;MM397534;CNc1cc(=O)nnn1C;KOKYWKLNTBAJQY-UHFFFAOYSA-N;140.15;-0.78;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP1_SP2";;;;;;;-1.06;;-3.82;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM397535;MM397535;C=NOCC(C#N)=C(C)C;BJGPFNMZNQJASB-UHFFFAOYSA-N;138.17;1.48;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_P1";;;;;;;0.81;;-0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM397536;MM397536;CNc1cc(=N)nnn1N;WQUWZHXDAYBGLW-UHFFFAOYSA-N;140.15;-1.49;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP1_SP2";;;;;;;-1.06;;-3.82;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM397537;MM397537;C=NOCC(C#N)=C(C)F;XVDHSPRPADQOQZ-UHFFFAOYSA-N;142.13;1.39;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_P1";;;;;;;0.81;;-0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM397538;MM397538;CCC(F)=CN(N)C=NN;PKSQNINOGZUILM-UHFFFAOYSA-N;146.17;0.29;;;;;DOPC;MDCG;27;0;"MARTINI bead: C3_P4";;;;;;;0.52;;-1.59;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM397539;MM397539;C=NOCC(C#N)=C(N)N;JMHYJEBVOKPGLG-UHFFFAOYSA-N;140.15;-0.73;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_P1";;;;;;;-0.79;;-3.13;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM397540;MM397540;COC(C)=CN(N)C=NN;DXRKALLXMSUMHF-UHFFFAOYSA-N;144.18;-0.43;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_P4";;;;;;;-0.41;;-2.77;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM397541;MM397541;C=CCOC(C#N)=C(C)N;WEAWHOPGMIWDFE-UHFFFAOYSA-N;138.17;0.9;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nd_Na";;;;;;;0.87;;-1.88;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM397542;MM397542;CNc1cc(=O)nnn1O;FEHUFCVXUXOXSC-UHFFFAOYSA-N;142.12;-1.08;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP1_SP3";;;;;;;-1.93;;-4.72;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM397543;MM397543;C=Cc1cc(N)c(C)[nH]1;LOAMRUBOJYTSSA-UHFFFAOYSA-N;122.17;1.55;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNd_SN0";;;;;;;1.17;;-1.04;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM397544;MM397544;COc1cc(=N)nnn1C;WDWZFMIWPQMNQC-UHFFFAOYSA-N;140.15;-0.7;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP1_SP2";;;;;;;-1.06;;-3.82;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM397545;MM397545;CC(F)=C(C#N)OCC=O;QNCDBPFSYRJFOU-UHFFFAOYSA-N;143.12;0.93;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_Na";;;;;;;0.87;;-2.22;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM397546;MM397546;COc1cc(=O)nnn1C;SAHQHDHHVCMGLT-UHFFFAOYSA-N;141.13;-0.82;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP1_SP2";;;;;;;-1.06;;-3.82;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM397547;MM397547;C=CCOC(C#N)=C(N)N;JPTAXJBAFKFWMZ-UHFFFAOYSA-N;139.16;-0.2;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_Na";;;;;;;0.04;;-2.54;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM397548;MM397548;COc1cc(=N)nnn1N;AFCPNMNMPLRURS-UHFFFAOYSA-N;141.13;-1.52;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP1_SP2";;;;;;;-1.06;;-3.82;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM397549;MM397549;NC(N)=C(C=O)OCC=O;USDVLMGTLLPFFS-UHFFFAOYSA-N;144.13;-1.51;;;;;DOPC;MDCG;27;0;"MARTINI bead: P5_Na";;;;;;;-1.11;;-5.49;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM397550;MM397550;COc1cc(=O)nnn1N;DXVQWHIVAVFCPY-UHFFFAOYSA-N;142.12;-1.64;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP1_SP3";;;;;;;-1.93;;-4.72;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM397551;MM397551;O=CCOC(C=O)=C(F)F;IWHXRXULNWDXLR-UHFFFAOYSA-N;150.08;0.51;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_Na";;;;;;;0.87;;-2.22;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM397552;MM397552;COc1cc(=N)nnn1O;HRGZHHXXMUZCSB-UHFFFAOYSA-N;142.12;-1;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP1_SP2";;;;;;;-1.06;;-3.82;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM397553;MM397553;N#CCOC(C=O)=C(F)F;LZCYGXHEQRIVOT-UHFFFAOYSA-N;147.08;0.83;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_P2";;;;;;;0.54;;-1.09;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM397554;MM397554;COc1cc(=O)nnn1O;OPOYWSVJOKEHES-UHFFFAOYSA-N;143.1;-1.12;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP1_SP3";;;;;;;-1.93;;-4.72;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM397555;MM397555;N#CC(OCC=O)=C(F)F;QMKXGKSXIGSVNV-UHFFFAOYSA-N;147.08;0.83;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4_P2";;;;;;;1.09;;-0.38;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM397556;MM397556;Cn1ccc(=N)nc1CN;SPUJNYNAQYJNHS-UHFFFAOYSA-N;138.17;-0.64;;;;;DOPC;MDCG;27;1;"MARTINI bead: SP1_SP3";;;;;;;-1.93;;-7.39;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM397557;MM397557;C#CCOC(C#N)=C(C)C;KHJHRIMSVSZTCP-UHFFFAOYSA-N;135.17;1.45;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_N0";;;;;;;1.17;;-1.18;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM397558;MM397558;Cn1ccc(=N)nc1CO;JAYJSRQLDJOUQS-UHFFFAOYSA-N;139.16;-0.61;;;;;DOPC;MDCG;27;1;"MARTINI bead: SP1_SP3";;;;;;;-1.93;;-7.4;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM397559;MM397559;C#CCOC(C#N)=C(C)N;WMXACNDYZGPTSD-UHFFFAOYSA-N;136.15;0.35;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_N0";;;;;;;0.34;;-1.53;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM397560;MM397560;CCc1nc(=O)ccn1C;UIXGHGWJGCXPNW-UHFFFAOYSA-N;138.17;0.34;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_SP2";;;;;;;0.54;;-1.09;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM397561;MM397561;C#CCOC(C#N)=C(C)F;POLUFIKTPMIFTE-UHFFFAOYSA-N;139.13;1.36;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_N0";;;;;;;1.17;;-1.18;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM397562;MM397562;CC(=O)ON(C)C(C)=NN;KCEPEVBESJQPRW-UHFFFAOYSA-N;145.16;-0.31;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_Nd";;;;;;;-0.24;;-3.16;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM397563;MM397563;C#CCOC(C=O)=C(F)F;ZMRZRJQEVPBFRO-UHFFFAOYSA-N;146.09;0.94;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_N0";;;;;;;1.17;;-1.18;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM397564;MM397564;CCc1nc(=N)ccn1N;ZRDLTOYNIWTTKR-UHFFFAOYSA-N;138.17;-0.36;;;;;DOPC;MDCG;27;1;"MARTINI bead: SP1_SP1";;;;;;;-0.79;;-6.22;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM397565;MM397565;C#CCOC(C#N)=C(F)F;VNAQPRBPJSRUAT-UHFFFAOYSA-N;143.09;1.27;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4_P2";;;;;;;1.09;;-0.38;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM397566;MM397566;N=c1ccn(N)c(CO)n1;WHMMORNZYIUALG-UHFFFAOYSA-N;140.15;-1.43;;;;;DOPC;MDCG;27;1;"MARTINI bead: SP1_SP3";;;;;;;-1.93;;-6.44;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM397567;MM397567;C#CC(CNCC)=C(C)C;LCRAQRYDNNHFBA-UHFFFAOYSA-N;137.23;1.57;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1_C4";;;;;;;1.37;;-1.8;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM397568;MM397568;CCc1nc(=O)ccn1N;ZDZNBNXAJIELCC-UHFFFAOYSA-N;139.16;-0.48;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP1_SP1";;;;;;;-0.79;;-3.13;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM397569;MM397569;C#CC(OCCN)=C(F)F;BDAHNHYPLMGEKI-UHFFFAOYSA-N;147.12;0.7;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1_C5";;;;;;;0.81;;-2.51;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM397570;MM397570;CNN(C=NN)C=C(C)F;SHAFKQPPZHRQLS-UHFFFAOYSA-N;146.17;0.16;;;;;DOPC;MDCG;27;0;"MARTINI bead: P4_C5";;;;;;;-0.41;;-2.77;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM397571;MM397571;C#CC(OCCO)=C(F)F;GBLWUKCKPRZOMX-UHFFFAOYSA-N;148.11;0.74;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_C5";;;;;;;0.81;;-0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM397572;MM397572;CCc1nc(=O)ccn1O;HILGUWCUFYHSJS-UHFFFAOYSA-N;140.14;0.04;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_SP3";;;;;;;-0.33;;-2.01;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM397573;MM397573;C#CC(OCCF)=C(F)F;SAEYJGLGTPYHFA-UHFFFAOYSA-N;150.1;1.71;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_C5";;;;;;;2.41;;0.64;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM397574;MM397574;O=c1ccn(O)c(CO)n1;HVXSAXTVTRCVDY-UHFFFAOYSA-N;142.11;-1.03;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP3_SP1";;;;;;;-1.93;;-4.72;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM397575;MM397575;C#CC(OCOC)=C(C)F;ZXXIPTLBANOAPU-UHFFFAOYSA-N;144.15;1.44;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_C4";;;;;;;1.09;;-0.38;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM397576;MM397576;O=c1ccn(O)c(CF)n1;GXWTWTQAUZHAAH-UHFFFAOYSA-N;144.11;-0.05;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP1_SP2";;;;;;;-1.06;;-3.82;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM397577;MM397577;C#CC(CCC#N)=C(C)C;ZMZBAYDEXSYREW-UHFFFAOYSA-N;133.19;2.26;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4_P1";;;;;;;1.37;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM397578;MM397578;CNc1nc(=N)ccn1C;MRIQHZIWLUPGTD-UHFFFAOYSA-N;138.17;-0.06;;;;;DOPC;MDCG;27;1;"MARTINI bead: SP2_SP1";;;;;;;-1.06;;-8.88;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM397579;MM397579;C#CC(CCC#N)=C(C)F;GLVBCIDLLRFDPZ-UHFFFAOYSA-N;137.16;2.17;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4_P1";;;;;;;1.37;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM397580;MM397580;C=CN(C=NN)C=C(C)F;USOGWDDMZMHTGS-UHFFFAOYSA-N;143.17;1.16;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_P2";;;;;;;0.54;;-1.09;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM397581;MM397581;C#CC(CNC=N)=C(C)C;MNGOOMMTCIIIOK-UHFFFAOYSA-N;136.2;1.15;;;;;DOPC;MDCG;27;1;"MARTINI bead: C4_P3";;;;;;;0.23;;-4.63;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM397582;MM397582;CNc1nc(=N)ccn1N;IHQMPLPSETYXLJ-UHFFFAOYSA-N;139.16;-0.88;;;;;DOPC;MDCG;27;1;"MARTINI bead: SP2_SP1";;;;;;;-1.06;;-8.88;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM397583;MM397583;Nc1nnc(=O)n(N)n1;WXBVYRUGABTHAW-UHFFFAOYSA-N;128.1;-2.67;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP2_SP4";;;;;;;-2.29;;-5.95;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM397584;MM397584;CC(F)=CN(C=N)C=NN;SMQKZAZNMFJVDO-UHFFFAOYSA-N;144.15;0.63;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_P3";;;;;;;-0.33;;-2.01;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM397585;MM397585;C#CC(CNC=N)=C(C)F;QJQHQGMXJPPZDA-UHFFFAOYSA-N;140.16;1.06;;;;;DOPC;MDCG;27;1;"MARTINI bead: C4_P3";;;;;;;0.23;;-4.58;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM397586;MM397586;CNc1nc(=N)ccn1O;HRPOYPBEDORJRC-UHFFFAOYSA-N;140.15;-0.36;;;;;DOPC;MDCG;27;1;"MARTINI bead: SP2_SP1";;;;;;;-1.06;;-6.21;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM397587;MM397587;C#CC(CNC=O)=C(C)F;ZJFKAXWAPMZEBA-UHFFFAOYSA-N;141.15;0.61;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4_P3";;;;;;;0.23;;-1.03;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM397588;MM397588;CC(F)=CC(=NN)N(C)N;WEUAHLRLFJTEJJ-UHFFFAOYSA-N;146.17;-0.06;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_C5";;;;;;;0.54;;-1.09;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM397589;MM397589;C#CC(CNC=N)=C(F)F;CRBVDJHSOMMQIB-UHFFFAOYSA-N;144.12;0.97;;;;;DOPC;MDCG;27;1;"MARTINI bead: C4_P3";;;;;;;0.23;;-4.53;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM397590;MM397590;COc1nc(=N)ccn1C;CLNUBMROGBJFDV-UHFFFAOYSA-N;139.16;-0.09;;;;;DOPC;MDCG;27;1;"MARTINI bead: SP2_SP1";;;;;;;-1.06;;-4.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM397591;MM397591;C#CC(CNN=C)=C(C)F;QKJXSAQIXRJXLQ-UHFFFAOYSA-N;140.16;1.07;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4_P2";;;;;;;1.09;;-0.38;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM397592;MM397592;COc1nc(=O)ccn1C;KXJAGRHCQGTMDK-UHFFFAOYSA-N;140.14;-0.21;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP2_SP1";;;;;;;-1.06;;-3.82;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM397593;MM397593;C#CC(COC=O)=C(C)F;BVEFTMCESIRNQS-UHFFFAOYSA-N;142.13;1.04;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4_P1";;;;;;;1.37;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM397594;MM397594;COc1nc(=O)ccn1N;UGOZRYFCMIQHNI-UHFFFAOYSA-N;141.13;-1.03;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP2_SP1";;;;;;;-1.06;;-3.82;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM397595;MM397595;C#CC(CON=C)=C(C)F;OMJDATCSUMMCAD-UHFFFAOYSA-N;141.15;1.5;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4_P1";;;;;;;1.37;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM397596;MM397596;COc1nc(=O)ccn1O;OTPNKRKSKDUOBL-UHFFFAOYSA-N;142.11;-0.51;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP2_SP1";;;;;;;-1.06;;-3.82;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM397597;MM397597;C#CC(OCC#N)=C(F)F;MBAGTSTXSPLQCE-UHFFFAOYSA-N;143.09;1.27;;;;;DOPC;MDCG;27;0;"MARTINI bead: N0_Na";;;;;;;1.17;;-1.18;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM397598;MM397598;C=C1CC(C)(CO)CC1=C;QCVOMRKPDVFSHE-UHFFFAOYSA-N;138.21;1.89;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC5_SC4";;;;;;;2.97;;0.45;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM397599;MM397599;C#CCOC(C#C)=C(C)C;OVZDPRDYTDXOAD-UHFFFAOYSA-N;134.18;1.56;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4_P2";;;;;;;1.09;;-0.38;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM397600;MM397600;Cn1cnc(=N)nc1CF;PPNSUPRDBRXXSB-UHFFFAOYSA-N;142.14;-0.24;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP3_SP1";;;;;;;-1.93;;-4.72;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM397601;MM397601;C#CCOC(C#C)=C(C)F;XZBWCFWPQDKFMT-UHFFFAOYSA-N;138.14;1.47;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4_P2";;;;;;;1.09;;-0.38;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM397602;MM397602;CCc1nc(=O)ncn1C;UWQUCVTYYQMXKT-UHFFFAOYSA-N;139.16;-0.26;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNa_SP3";;;;;;;-1.1;;-4.2;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM397603;MM397603;C#CCOC(C#C)=C(F)F;YXGGWYZNQLNEDJ-UHFFFAOYSA-N;142.1;1.38;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4_P2";;;;;;;1.09;;-0.38;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM397604;MM397604;Cn1cnc(=O)nc1CO;QYYQPTFBRJTKSH-UHFFFAOYSA-N;141.13;-1.33;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP3_SP2";;;;;;;-2.2;;-5.19;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM397605;MM397605;CC=CCC(CN)=C(C)F;YBYYFBSHQXKYCY-UHFFFAOYSA-N;143.21;2.15;;;;;DOPC;MDCG;27;1;"MARTINI bead: C4_Nda";;;;;;;2.2;;-1.4;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM397606;MM397606;Cn1cnc(=O)nc1CF;MQSWVHJCBPNZBU-UHFFFAOYSA-N;143.12;-0.36;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP3_SP1";;;;;;;-1.93;;-4.72;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM397607;MM397607;CC(F)=C(CN)CC=CF;UCEIWQXOTSKQRK-UHFFFAOYSA-N;147.17;2.06;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nda_C5";;;;;;;1.64;;-2.02;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM397608;MM397608;CC1CC1(C)CC1(O)CC1;OVOAPSSJHQJKRE-UHFFFAOYSA-N;140.23;1.95;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC5_SNda";;;;;;;1.64;;0.05;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM397609;MM397609;NCC(CC=CF)=C(F)F;FNTHXTXSPDGGLV-UHFFFAOYSA-N;151.13;1.97;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_C5";;;;;;;1.64;;-1.96;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM397610;MM397610;N=c1ncn(N)c(CF)n1;BCZSLAZIHVWKIS-UHFFFAOYSA-N;143.13;-1.06;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP4_SP1";;;;;;;-2.01;;-5.13;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM397611;MM397611;CC(C)=C(CN)CC=NO;KWNHIFOCYXKCRS-UHFFFAOYSA-N;142.2;1.13;;;;;DOPC;MDCG;27;1;"MARTINI bead: C5_P2";;;;;;;0.54;;-3.19;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM397612;MM397612;CCc1nc(=O)ncn1N;ULJPOGULVOTOII-UHFFFAOYSA-N;140.15;-1.09;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNa_SP4";;;;;;;-1.19;;-4.76;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM397613;MM397613;CC(C)=C(CO)CC=NO;LJPMCWIPCUBQOH-UHFFFAOYSA-N;143.19;1.17;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_P1";;;;;;;0.81;;-0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM397614;MM397614;C=CCC(O)CCC#CC;WOSGTTXCKSEMIU-UHFFFAOYSA-N;138.21;1.73;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4_C5";;;;;;;2.97;;0.45;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM397615;MM397615;COC(CC=NN)=C(C)C;ZZLLKZFALFWNNU-UHFFFAOYSA-N;142.2;1.26;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4_Nd";;;;;;;2.2;;0.32;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM397616;MM397616;CNN=CCN(N)C=NN;GUOJQMQMOPGKMV-UHFFFAOYSA-N;144.18;-1.73;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_P2";;;;;;;-1.34;;-4.31;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM397617;MM397617;COC(CC=NO)=C(C)C;BTIJCIVZFPWCSB-UHFFFAOYSA-N;143.19;1.78;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4_P1";;;;;;;1.37;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM397618;MM397618;CCC#CCN(N)C=NN;OHTSPDYQRWVDKU-UHFFFAOYSA-N;140.19;-0.52;;;;;DOPC;MDCG;27;0;"MARTINI bead: C3_P4";;;;;;;0.52;;-1.59;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM397619;MM397619;COC(CC=NN)=C(C)F;XAWYBIKNXYDJIH-UHFFFAOYSA-N;146.17;1.17;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_Nd";;;;;;;1.64;;0.02;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM397620;MM397620;C=CC#CCN(N)C=NN;IIVAZTXTYVQCPA-UHFFFAOYSA-N;138.17;-0.75;;;;;DOPC;MDCG;27;0;"MARTINI bead: P4_C4";;;;;;;0.15;;-2.18;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM397621;MM397621;COC(CC=NO)=C(C)F;MJFKYXJMEFSGOW-UHFFFAOYSA-N;147.15;1.68;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_P1";;;;;;;0.81;;-0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM397622;MM397622;CCc1nc(=O)ncn1O;BRZMRVXPHLANEE-UHFFFAOYSA-N;141.13;-0.56;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNa_SP5";;;;;;;-1.11;;-5.49;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM397623;MM397623;CN=CNC(CO)=C(C)C;XAKZTZHTXTXXBY-UHFFFAOYSA-N;142.2;0.52;;;;;DOPC;MDCG;27;1;"MARTINI bead: N0_P1";;;;;;;0.34;;-4.07;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM397624;MM397624;C#CC#CCN(N)C=NN;FZXMNIIEMBTHRR-UHFFFAOYSA-N;136.16;-1.3;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_N0";;;;;;;0.06;;-2.21;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM397625;MM397625;CNC=NC(OC)=C(C)C;OVGGPKSWQAOTQE-UHFFFAOYSA-N;142.2;1.13;;;;;DOPC;MDCG;27;1;"MARTINI bead: P2_C4";;;;;;;1.09;;-2.41;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM397626;MM397626;O=c1ncn(O)c(CO)n1;COMFQNOMAUUOHL-UHFFFAOYSA-N;143.1;-1.63;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP2_SP5";;;;;;;-2.22;;-6.53;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM397627;MM397627;COC(N=CNN)=C(C)F;DNUZVPSZZHFBLE-UHFFFAOYSA-N;147.15;0.28;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4_P3";;;;;;;0.23;;-1.03;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM397628;MM397628;CNc1nc(=N)ncn1C;NSMLPTWFHCKRJI-UHFFFAOYSA-N;139.16;-0.66;;;;;DOPC;MDCG;27;1;"MARTINI bead: SNda_SP3";;;;;;;-1.1;;-6.64;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM397629;MM397629;C=NN=c1onc(N)o1;GQTPCGHDVIYPIA-UHFFFAOYSA-N;128.09;-0.63;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP3_P2";;;;;;;-2.2;;-5.19;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM397630;MM397630;CCOC=CN(N)C=NN;XLMCBZZTHAHEKR-UHFFFAOYSA-N;144.18;-0.43;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_P2";;;;;;;-0.24;;-3.24;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM397631;MM397631;CC(C)=C(CN)OC=CF;SCQMBWDOHFBNSB-UHFFFAOYSA-N;145.18;1.7;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1_C5";;;;;;;0.81;;-1.91;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM397632;MM397632;CNc1nc(=N)ncn1N;UWNZRWFMNUUWTD-UHFFFAOYSA-N;140.15;-1.49;;;;;DOPC;MDCG;27;1;"MARTINI bead: SNda_SP4";;;;;;;-1.19;;-7.12;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM397633;MM397633;CC=COC(CO)=C(C)C;KJMFXSDGJYIEAZ-UHFFFAOYSA-N;142.2;1.82;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4_P1";;;;;;;1.37;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM397634;MM397634;C=COC=CN(N)C=NN;LCUWDNSXPCWQOK-UHFFFAOYSA-N;142.16;-0.3;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_Na";;;;;;;-0.24;;-3.24;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM397635;MM397635;CC=COC(CO)=C(C)F;KMWNPRWLWXLUNR-UHFFFAOYSA-N;146.16;1.73;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4_P1";;;;;;;1.37;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM397636;MM397636;CNc1nc(=O)ncn1O;GONGMDASTCLRPW-UHFFFAOYSA-N;142.12;-1.08;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNda_SP5";;;;;;;-1.11;;-5.66;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM397637;MM397637;CC(F)=C(CO)OC=CF;LFKZXDRJFQHOMD-UHFFFAOYSA-N;150.12;1.64;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_C5";;;;;;;0.81;;-0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM397638;MM397638;COc1nc(=N)ncn1N;DIBYLFQNIAUFHQ-UHFFFAOYSA-N;141.13;-1.52;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNa_SP4";;;;;;;-1.19;;-4.76;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM397639;MM397639;CC=COC(CO)=C(F)F;NQSILFSRTHRQIV-UHFFFAOYSA-N;150.12;1.64;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4_Nda";;;;;;;2.2;;0.49;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM397640;MM397640;C=Cc1[nH]c(N)cc1N;GHEUCCJUTQDPNS-UHFFFAOYSA-N;123.16;0.82;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP1_SNd";;;;;;;0.04;;-2.63;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM397641;MM397641;COc1nc(=O)ncn1N;AZWHCDORWSYIPY-UHFFFAOYSA-N;142.12;-1.64;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNa_SP4";;;;;;;-1.19;;-4.76;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM397642;MM397642;CC(F)=C(CF)OC=NO;WHIVKOLUAURWRD-UHFFFAOYSA-N;151.11;1.59;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_P1";;;;;;;0.81;;-0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM397643;MM397643;C=COC(C)=NNCCF;LYXKVFFVJXZPEJ-UHFFFAOYSA-N;146.17;1.04;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_P2";;;;;;;0.54;;-1.09;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM397644;MM397644;CC(C)=C(C=O)CC=CF;LZTGELCXKYJHRX-UHFFFAOYSA-N;142.17;2.4;;;;;DOPC;MDCG;27;0;"MARTINI bead: N0_C4";;;;;;;2.5;;0.44;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM397645;MM397645;COc1nc(=O)ncn1O;MUTSWASCBUVJRW-UHFFFAOYSA-N;143.1;-1.12;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNa_SP5";;;;;;;-1.11;;-5.49;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM397646;MM397646;CC=CCC(C=O)=C(C)N;MRRIPSOQIYEQDG-UHFFFAOYSA-N;139.2;1.38;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_C3";;;;;;;1.46;;-0.15;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM397647;MM397647;Cn1ncc(=O)nc1CO;CSFCGIISPCRXAC-UHFFFAOYSA-N;141.13;-1.33;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP4_P3";;;;;;;-3.15;;-6.87;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM397648;MM397648;CC=CCC(C=O)=C(N)N;QUUVNGAECKAWGL-UHFFFAOYSA-N;140.19;0.28;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4_P3";;;;;;;0.23;;-1.03;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM397649;MM397649;CCc1nc(=N)cnn1N;CJPSDXGNUKVYSI-UHFFFAOYSA-N;139.16;-0.97;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_SP3";;;;;;;-0.33;;-2.01;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM397650;MM397650;O=CC(CC=CF)=C(F)F;TTXFMQLMRSTBNK-UHFFFAOYSA-N;150.1;2.21;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4_Na";;;;;;;2.2;;0.34;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM397651;MM397651;CCc1nc(=O)cnn1N;HKPQRNJNWJKATN-UHFFFAOYSA-N;140.15;-1.09;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_SP4";;;;;;;-0.41;;-2.78;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM397652;MM397652;CC(F)=C(C#N)CC=NO;ZOKIQXJXPMQXTG-UHFFFAOYSA-N;142.13;1.6;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_P1";;;;;;;0.81;;-0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM397653;MM397653;CNc1nc(=N)cnn1C;SXCGMQQZNNZEAX-UHFFFAOYSA-N;139.16;-0.66;;;;;DOPC;MDCG;27;1;"MARTINI bead: P2_SP3";;;;;;;-2.2;;-7.47;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM397654;MM397654;N#CC(CC=NO)=C(N)N;OBTWCVFQHUAPJW-UHFFFAOYSA-N;140.15;-0.51;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_P1";;;;;;;-0.79;;-3.13;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM397655;MM397655;CN(C=NN)C(=N)OC=O;KPWJLVNMIWSEJC-UHFFFAOYSA-N;144.13;-1.07;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_P2";;;;;;;-1.06;;-3.82;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM397656;MM397656;CC(=NN)C(=NN)NN;QNCQYBISZGZCIY-UHFFFAOYSA-N;130.16;-1.94;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nd_P4";;;;;;;-1.19;;-4.91;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM397657;MM397657;CCc1nc(=N)nnn1C;DLSNSMRAFLUSBW-UHFFFAOYSA-N;139.16;-0.75;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP2_SP3";;;;;;;-2.2;;-5.19;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM397658;MM397658;C=CCNC(C=O)CF;GGLVRGRLRPAWHB-UHFFFAOYSA-N;131.15;0.3;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_P1";;;;;;;0.04;;-2.54;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM397659;MM397659;C=NOC(=N)N(C)C=NN;WWWVIJYYCXZWMH-UHFFFAOYSA-N;143.15;-0.61;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_P1";;;;;;;-0.79;;-3.13;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM397660;MM397660;CCC(=NOC=O)NN;URASOAFVKWQYOP-UHFFFAOYSA-N;131.14;-0.65;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nd_P2";;;;;;;-0.24;;-3.16;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM397661;MM397661;Cn1nnc(=N)nc1CF;AGQPASBOAFQWRI-UHFFFAOYSA-N;143.13;-0.84;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP4_SP1";;;;;;;-2.01;;-5.13;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM397662;MM397662;CC=COC(C#N)=C(C)N;YZXPSRLLGDTDNU-UHFFFAOYSA-N;138.17;1.25;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4_P1";;;;;;;1.37;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM397663;MM397663;CCc1nc(=O)nnn1C;WIILUODREKNZOX-UHFFFAOYSA-N;140.15;-0.87;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP2_SP3";;;;;;;-2.2;;-5.19;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM397664;MM397664;CC(N)=C(C#N)OC=CF;QLOGVMWTGFUNHJ-UHFFFAOYSA-N;142.13;1.16;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_C5";;;;;;;0.81;;-0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM397665;MM397665;Cn1nnc(=O)nc1CO;ALTUHEVZMXKYKW-UHFFFAOYSA-N;142.12;-1.94;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP2_SP5";;;;;;;-2.22;;-6.53;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM397666;MM397666;CC(F)=C(C#N)OC=CF;WVSAMNLWXXXVDU-UHFFFAOYSA-N;145.11;2.17;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_Na";;;;;;;1.64;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM397667;MM397667;Cn1nnc(=O)nc1CF;ZDUWCMJXQVEWJX-UHFFFAOYSA-N;144.11;-0.96;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP1_SP5";;;;;;;-1.94;;-5.95;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM397668;MM397668;CC=COC(C=O)=C(N)N;JMMXDLQCGRUJMA-UHFFFAOYSA-N;142.16;-0.18;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4_P5";;;;;;;0.22;;-2.65;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM397669;MM397669;CCc1nc(=N)nnn1N;HOVUXDNCCSVGDZ-UHFFFAOYSA-N;140.15;-1.57;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP2_SP4";;;;;;;-2.29;;-5.95;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM397670;MM397670;CC=COC(C#N)=C(N)N;RTCLIETVYKGIMH-UHFFFAOYSA-N;139.16;0.15;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4_P2";;;;;;;1.09;;-0.38;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM397671;MM397671;C=C(C=NN)N(N)C=NN;WNRKIDNKMWUCOK-UHFFFAOYSA-N;142.17;-1.48;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_P1";;;;;;;-0.79;;-3.13;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM397672;MM397672;NC(N)=C(C=O)OC=CF;TYFSKWDWLSQZRS-UHFFFAOYSA-N;146.12;-0.27;;;;;DOPC;MDCG;27;0;"MARTINI bead: P5_C5";;;;;;;-0.34;;-3.42;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM397673;MM397673;N=c1nnn(N)c(CF)n1;SCCGONIIHPAXFB-UHFFFAOYSA-N;144.11;-1.66;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP2_SP4";;;;;;;-2.29;;-5.95;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM397674;MM397674;N#CC(OC=CF)=C(N)N;AWULPAZQCNUFTQ-UHFFFAOYSA-N;143.12;0.05;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_C5";;;;;;;0.54;;-1.09;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM397675;MM397675;CCc1nc(=O)nnn1N;JGJYXQFHSSXKBO-UHFFFAOYSA-N;141.13;-1.69;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP2_SP4";;;;;;;-2.29;;-5.95;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM397676;MM397676;CC(=CN)C(=O)C1CN1;SKGYNAMAUNGROK-UHFFFAOYSA-N;126.16;-0.61;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_SP2";;;;;;;-1.06;;-3.82;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM397677;MM397677;Nn1nnc(=O)nc1CO;IUTFYLWZLUSHKA-UHFFFAOYSA-N;143.11;-2.76;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP2_SP5";;;;;;;-2.22;;-6.53;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM397678;MM397678;C=CC(OC=NO)=C(C)C;HPURBMQLVMOBRB-UHFFFAOYSA-N;141.17;1.9;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4_P1";;;;;;;1.37;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM397679;MM397679;Nn1nnc(=O)nc1CF;XPUIULVJQDRTQL-UHFFFAOYSA-N;145.1;-1.78;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP2_SP5";;;;;;;-2.22;;-6.53;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM397680;MM397680;C#CC(=C)C(=C)C(C)(C)O;XQCBHWWMGUCYIV-UHFFFAOYSA-N;136.19;1.5;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda_C4";;;;;;;2.2;;0.49;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM397681;MM397681;C=C(F)C(=C)C(=NN)NN;RXDCCSRREZMCPO-UHFFFAOYSA-N;144.15;-0.24;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_C5";;;;;;;0.81;;-0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM397682;MM397682;NC(N)=C(C=O)OC=NO;FZKPESAZPARKQW-UHFFFAOYSA-N;145.12;-1.29;;;;;DOPC;MDCG;27;0;"MARTINI bead: P5_P1";;;;;;;-1.94;;-5.95;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM397683;MM397683;N=c1nnn(O)c(CO)n1;QWLXOYNGSDGBDJ-UHFFFAOYSA-N;143.11;-2.12;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP2_SP5";;;;;;;-2.22;;-6.53;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM397684;MM397684;C#CC(N=CNN)=C(C)C;BLPNKVHEDUPRCV-UHFFFAOYSA-N;137.19;0.41;;;;;DOPC;MDCG;27;1;"MARTINI bead: C4_P4";;;;;;;0.15;;-3.22;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM397685;MM397685;N=c1nnn(O)c(CF)n1;AOLBCFHNBIYWFR-UHFFFAOYSA-N;145.1;-1.14;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP1_SP4";;;;;;;-2.01;;-5.13;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM397686;MM397686;C#CC1(C=C)CC(C)(O)C1;CAQLMFAYHHUCHT-UHFFFAOYSA-N;136.19;1.34;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNda_SC5";;;;;;;1.64;;0.05;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM397687;MM397687;CCc1nc(=O)nnn1O;YANZZQPOPPJAPD-UHFFFAOYSA-N;142.12;-1.17;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP2_SP3";;;;;;;-2.2;;-5.19;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM397688;MM397688;CC#CCC(CN)=C(F)F;QADQCBYBKKQBKY-UHFFFAOYSA-N;145.15;1.51;;;;;DOPC;MDCG;27;1;"MARTINI bead: C4_Nd";;;;;;;2.2;;-1.47;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM397689;MM397689;O=c1nnn(O)c(CO)n1;HMPMHNATIUZNPO-UHFFFAOYSA-N;144.09;-2.24;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP2_SP3";;;;;;;-2.2;;-5.19;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM397690;MM397690;C=CC(C)(O)CCC#CC;VUSBNEMFCJSECR-UHFFFAOYSA-N;138.21;1.73;;;;;DOPC;MDCG;27;0;"MARTINI bead: C3_Nda";;;;;;;2.57;;0.44;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM397691;MM397691;O=c1nnn(O)c(CF)n1;YGFPXARESBJPFD-UHFFFAOYSA-N;146.08;-1.26;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP1_SP5";;;;;;;-1.94;;-5.95;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM397692;MM397692;CC(C)=C(C=CCO)CN;QAHMWKQXCPGFQY-UHFFFAOYSA-N;141.21;0.83;;;;;DOPC;MDCG;27;1;"MARTINI bead: C5_P1";;;;;;;0.81;;-2.68;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM397693;MM397693;CNc1nc(=O)nnn1C;QGALPQLJIQVONT-UHFFFAOYSA-N;141.13;-1.39;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP2_SP3";;;;;;;-2.2;;-5.19;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM397694;MM397694;CC(F)=C(C=CCO)CN;NBYVYYXGZXQNCQ-UHFFFAOYSA-N;145.18;0.74;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nda_P1";;;;;;;0.04;;-4.84;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM397695;MM397695;CNc1nc(=O)nnn1N;AUCZZXPFHFALPG-UHFFFAOYSA-N;142.12;-2.21;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP2_SP4";;;;;;;-2.29;;-5.95;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM397696;MM397696;COC=CC(CN)=C(C)F;GHSRVHBMZFVNIH-UHFFFAOYSA-N;145.18;1.35;;;;;DOPC;MDCG;27;1;"MARTINI bead: Na_Nda";;;;;;;0.87;;-4.11;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM397697;MM397697;C=C(F)C(=C)N(N)C=NN;DQXJKFKQDBPHTI-UHFFFAOYSA-N;144.15;0.06;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_C5";;;;;;;0.54;;-1.09;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM397698;MM397698;COC=CC(CO)=C(C)F;HDLMCYRFXATTLP-UHFFFAOYSA-N;146.16;1.38;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_Nda";;;;;;;0.87;;-1.99;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM397699;MM397699;CNc1nc(=O)nnn1O;GLILWFCASWGFHY-UHFFFAOYSA-N;143.11;-1.69;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP2_SP3";;;;;;;-2.2;;-5.19;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM397700;MM397700;COC(C=CCN)=C(C)C;WRCQBLDGSSGHPQ-UHFFFAOYSA-N;141.21;1.44;;;;;DOPC;MDCG;27;1;"MARTINI bead: C4_P1";;;;;;;1.37;;-2.17;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM397701;MM397701;COc1nc(=N)nnn1C;UTVUPILTWLDNDW-UHFFFAOYSA-N;141.13;-1.3;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP2_SP3";;;;;;;-2.2;;-5.19;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM397702;MM397702;COC(C=CCN)=C(C)F;NZSQVAXUIKSSCN-UHFFFAOYSA-N;145.18;1.35;;;;;DOPC;MDCG;27;1;"MARTINI bead: C5_P1";;;;;;;0.81;;-2.72;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM397703;MM397703;COc1nc(=O)nnn1C;QCYIFHQDHYIDHM-UHFFFAOYSA-N;142.12;-1.42;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP2_SP3";;;;;;;-2.2;;-5.19;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM397704;MM397704;COC(C=CCO)=C(C)F;UTNLWGBMGWVKAH-UHFFFAOYSA-N;146.16;1.38;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4_P1";;;;;;;1.37;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM397705;MM397705;COc1nc(=N)nnn1N;NFZHORKDKSRWOH-UHFFFAOYSA-N;142.12;-2.13;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP2_SP4";;;;;;;-2.29;;-5.95;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM397706;MM397706;COc1nc(=O)nnn1N;JWZAJZDNYGWFCR-UHFFFAOYSA-N;143.11;-2.24;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP2_SP4";;;;;;;-2.29;;-5.95;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM397707;MM397707;COC(C=CCN)=C(F)F;JHRKEMFLEADRAX-UHFFFAOYSA-N;149.14;1.26;;;;;DOPC;MDCG;27;1;"MARTINI bead: C5_P1";;;;;;;0.81;;-2.72;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM397708;MM397708;COc1nc(=N)nnn1O;RVAQCNJGPINGED-UHFFFAOYSA-N;143.11;-1.6;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP2_SP5";;;;;;;-2.22;;-6.53;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM397709;MM397709;COC=CC(OC)=C(C)C;XYPZEDADRIKAAV-UHFFFAOYSA-N;142.2;2.09;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_C2";;;;;;;2;;0.29;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM397710;MM397710;COc1nc(=O)nnn1O;JQLPWWLMXFVUFY-UHFFFAOYSA-N;144.09;-1.72;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP2_SP3";;;;;;;-2.2;;-5.19;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM397711;MM397711;COC=CC(OC)=C(C)F;SOBCBHRYBCILRQ-UHFFFAOYSA-N;146.16;1.99;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_C4";;;;;;;1.37;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM397712;MM397712;C=Cc1cc(=O)ccn1C;BRVXIOPNUVDSOH-UHFFFAOYSA-N;135.17;1.03;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP1_SC5";;;;;;;0.81;;-0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM397713;MM397713;COC=CC(OC)=C(F)F;CPOSRELDUSRCOR-UHFFFAOYSA-N;150.12;1.9;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_C5";;;;;;;1.64;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM397714;MM397714;Cn1ccc(=O)cc1C=O;WZWZCYONMCFSLC-UHFFFAOYSA-N;137.14;0.2;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP1_SNa";;;;;;;0.04;;-2.54;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM397715;MM397715;CCC(C=NNC)=C(C)C;VMLKNNUHPJRFKW-UHFFFAOYSA-N;140.23;1.94;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1_P2";;;;;;;1.8;;0.4;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM397716;MM397716;Cn1ccc(=O)cc1C#N;IKVPLFYPMCVINP-UHFFFAOYSA-N;134.14;0.26;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP1_SN0";;;;;;;0.34;;-1.53;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM397717;MM397717;C#CC(C)CC(O)C(=C)C;FULKBEFDCFZOHB-UHFFFAOYSA-N;138.21;1.58;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4_Nda";;;;;;;2.2;;0.49;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM397718;MM397718;C=Cc1cc(=O)ccn1N;DBIAISARBUQKQA-UHFFFAOYSA-N;136.15;0.21;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP2_SC5";;;;;;;0.54;;-1.09;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM397719;MM397719;CNN=CC(CF)=C(C)C;ZJLLWUNURNHEAL-UHFFFAOYSA-N;144.19;1.5;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_C4";;;;;;;1.09;;-0.38;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM397720;MM397720;C=Cc1cc(=O)ccn1O;TYVKCAYIBORCGH-UHFFFAOYSA-N;137.14;0.73;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP2_SC5";;;;;;;0.54;;-1.09;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM397721;MM397721;C=CCC(C)C1CC1(C)O;LQGXFFGSSJSYFY-UHFFFAOYSA-N;140.23;1.97;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1_SNda";;;;;;;2.91;;0.57;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM397722;MM397722;O=Cc1cc(=O)ccn1O;DNGXYKCYIDJYKA-UHFFFAOYSA-N;139.11;-0.1;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP2_SNa";;;;;;;-0.24;;-3.24;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM397723;MM397723;CNN=CC(OC)=C(C)C;HIYOIYWUDDUSAC-UHFFFAOYSA-N;142.2;1.13;;;;;DOPC;MDCG;27;0;"MARTINI bead: P3_C2";;;;;;;0.86;;-0.3;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM397724;MM397724;N#Cc1cc(=O)ccn1O;GWTGYTWHKLVNAT-UHFFFAOYSA-N;136.11;-0.04;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP2_SN0";;;;;;;0.06;;-2.21;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM397725;MM397725;CNN=CC(OC)=C(C)F;VXURKLONWIPNPY-UHFFFAOYSA-N;146.17;1.04;;;;;DOPC;MDCG;27;0;"MARTINI bead: P3_C4";;;;;;;0.23;;-1.03;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM397726;MM397726;C=Cc1cc(=N)ncn1C;QDZATGGVDCVMFB-UHFFFAOYSA-N;135.17;0.54;;;;;DOPC;MDCG;27;1;"MARTINI bead: SP2_SN0";;;;;;;0.06;;-4.19;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM397727;MM397727;CNN=CC(OC)=C(F)F;DKFGBMDIDJGTKD-UHFFFAOYSA-N;150.13;0.95;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_C5";;;;;;;0.54;;-1.09;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM397728;MM397728;C=Cc1cc(=O)ncn1C;LZWZJIRNPCRBPS-UHFFFAOYSA-N;136.15;0.42;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP2_SN0";;;;;;;0.06;;-2.21;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM397729;MM397729;CON=CC(OC)=C(C)C;KKQYHPONTSWGPS-UHFFFAOYSA-N;143.19;1.56;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_C2";;;;;;;1.72;;0.27;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM397730;MM397730;Cn1cnc(=O)cc1C=O;MHAIBYLYCDIURZ-UHFFFAOYSA-N;138.13;-0.41;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP2_SP1";;;;;;;-1.06;;-3.82;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM397731;MM397731;CON=CC(OC)=C(C)F;TXICQIPXTCVYRC-UHFFFAOYSA-N;147.15;1.47;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_C5";;;;;;;0.81;;-0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM397732;MM397732;Cn1cnc(=O)cc1C#N;AOHXDMUNAGYNED-UHFFFAOYSA-N;135.13;-0.35;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP2_SP1";;;;;;;-1.06;;-3.82;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM397733;MM397733;CON=CC(OC)=C(F)F;SBYUJHHCEBVLNS-UHFFFAOYSA-N;151.11;1.37;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_C4";;;;;;;1.09;;-0.38;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM397734;MM397734;C=Cc1cc(=N)ncn1N;UNWNDGVPWYPIGL-UHFFFAOYSA-N;136.16;-0.28;;;;;DOPC;MDCG;27;1;"MARTINI bead: SP3_SN0";;;;;;;-0.8;;-4.1;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM397735;MM397735;C=CC=CC(CN)=C(C)F;GYSKOHTWCSQNEJ-UHFFFAOYSA-N;141.19;1.93;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nda_C4";;;;;;;2.2;;-1.37;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM397736;MM397736;C=Cc1cc(=O)ncn1N;GIIXLSDFZNAGNQ-UHFFFAOYSA-N;137.14;-0.4;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP3_SN0";;;;;;;-0.8;;-2.99;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM397737;MM397737;C=CC=CC(CN)=C(F)F;HUAVZGHWYJHXQU-UHFFFAOYSA-N;145.15;1.84;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_C4";;;;;;;2.2;;-1.46;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM397738;MM397738;CNN=c1on(C)cc1F;JUHBGLCUYOXMSJ-UHFFFAOYSA-N;145.14;-0.21;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP1_SNa";;;;;;;0.04;;-2.54;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM397739;MM397739;C=NN=CC(CN)=C(C)C;RRIBBVCMXSFXFQ-UHFFFAOYSA-N;139.2;0.97;;;;;DOPC;MDCG;27;1;"MARTINI bead: C5_P1";;;;;;;0.81;;-2.33;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM397740;MM397740;Nc1nc(=O)n(N)nc1F;KNUCUZLJSVPCBB-UHFFFAOYSA-N;145.1;-1.93;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP3_SP1";;;;;;;-1.93;;-4.72;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM397741;MM397741;C=NN=CC(CF)=C(C)C;CCGKLWFEMHZREX-UHFFFAOYSA-N;142.18;1.98;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4_N0";;;;;;;2.5;;0.44;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM397742;MM397742;C=Cc1cc(=O)ncn1O;XTAXHUSBWKAVNO-UHFFFAOYSA-N;138.13;0.12;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP3_SN0";;;;;;;-0.8;;-2.99;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM397743;MM397743;C=NN=CC(CC)=C(C)N;ZADYYXGRDGGIGJ-UHFFFAOYSA-N;139.2;1.32;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_N0";;;;;;;1.94;;0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM397744;MM397744;C=NN=CC(CO)=C(C)F;GFPGUIBTSFCLOW-UHFFFAOYSA-N;144.15;0.91;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda_N0";;;;;;;1.17;;-1.13;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM397745;MM397745;O=Cc1cc(=O)ncn1O;PJVRKTPAHVMDFT-UHFFFAOYSA-N;140.1;-0.71;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP3_SP1";;;;;;;-1.93;;-4.72;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM397746;MM397746;C=NN=CC(OC)=C(C)F;RYVFYAUHCFPRIN-UHFFFAOYSA-N;144.15;1.52;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_N0";;;;;;;1.94;;0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM397747;MM397747;N#Cc1cc(=O)ncn1O;XIBGAIVZOOJLIU-UHFFFAOYSA-N;137.1;-0.65;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP3_SP1";;;;;;;-1.93;;-4.72;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM397748;MM397748;C#CC=CC(CO)=C(C)F;LJLLDSJFXVKMQH-UHFFFAOYSA-N;140.16;1.41;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda_N0";;;;;;;1.17;;-1.13;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM397749;MM397749;C=Cc1cc(=N)nnn1C;LOEIDDVFAAGNIB-UHFFFAOYSA-N;136.16;-0.06;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNa_SP3";;;;;;;-1.1;;-4.2;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM397750;MM397750;C#CC=CC(OC)=C(C)C;AGTHEMHYGDANEL-UHFFFAOYSA-N;136.19;2.12;;;;;DOPC;MDCG;27;0;"MARTINI bead: C2_N0";;;;;;;3.13;;0.3;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM397751;MM397751;Cn1nnc(=N)cc1C=O;PZHJMQJVJOWDJP-UHFFFAOYSA-N;138.13;-0.89;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP1_SP3";;;;;;;-1.93;;-4.72;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM397752;MM397752;C#CC=CC(OC)=C(F)F;YGEGQSIAZUWPEJ-UHFFFAOYSA-N;144.12;1.93;;;;;DOPC;MDCG;27;0;"MARTINI bead: N0_C5";;;;;;;1.94;;0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM397753;MM397753;Cn1nnc(=N)cc1C#N;OAOHPNVWWZVNCJ-UHFFFAOYSA-N;135.13;-0.83;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP1_SP3";;;;;;;-1.93;;-4.72;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM397754;MM397754;CC(C)=C(C=O)C=CCO;OYDDOOGBTKOZPL-UHFFFAOYSA-N;140.18;1.07;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_P1";;;;;;;0.81;;-0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM397755;MM397755;C=Cc1cc(=O)nnn1C;GKRIBPJFMQFDRX-UHFFFAOYSA-N;137.14;-0.18;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNa_SP3";;;;;;;-1.1;;-4.2;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM397756;MM397756;CC(N)=C(C=O)C=CCO;HEIHIIFQOJPJHU-UHFFFAOYSA-N;141.17;-0.03;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_P1";;;;;;;-0.79;;-3.13;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM397757;MM397757;Cn1nnc(=O)cc1C=O;YTXIQVKBYZGVPX-UHFFFAOYSA-N;139.11;-1.01;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP1_SP3";;;;;;;-1.93;;-4.72;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM397758;MM397758;CC(N)=C(C#N)C=CCF;KLIMIFFDBALXRX-UHFFFAOYSA-N;140.16;1.27;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nd_Na";;;;;;;0.87;;-1.88;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM397759;MM397759;Cn1nnc(=O)cc1C#N;LEWDJBGPZMOHNJ-UHFFFAOYSA-N;136.11;-0.95;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP1_SP3";;;;;;;-1.93;;-4.72;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM397760;MM397760;CC=CC(O)CC1(C)CC1;ZBKJHIPWJGYXOX-UHFFFAOYSA-N;140.23;2.11;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda_SC4";;;;;;;2.2;;0.49;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM397761;MM397761;C=Cc1cc(=N)nnn1N;ZNBWYEHZTQBQQA-UHFFFAOYSA-N;137.15;-0.89;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP2_SP1";;;;;;;-1.06;;-3.82;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM397762;MM397762;C=C(C)OC=NN=CNN;WCTFCAVTDNEHBX-UHFFFAOYSA-N;142.16;-0.03;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4_P3";;;;;;;0.23;;-1.03;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM397763;MM397763;C=Cc1cc(=O)nnn1N;CLWPLYKDKADKQD-UHFFFAOYSA-N;138.13;-1;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP3_SP1";;;;;;;-1.93;;-4.72;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM397764;MM397764;CNN=CC(C=O)=C(N)N;DQFBBAGLXOTYIV-UHFFFAOYSA-N;142.16;-1.48;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_P2";;;;;;;-1.34;;-4.31;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM397765;MM397765;C=Cc1cc(=N)nnn1O;AMNQYQFHHXTMBA-UHFFFAOYSA-N;138.13;-0.36;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP2_SP1";;;;;;;-1.06;;-3.82;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM397766;MM397766;C=C(C=CC)C(O)CCC;KFCHNMJBZJHRHB-UHFFFAOYSA-N;140.23;2.28;;;;;DOPC;MDCG;27;0;"MARTINI bead: C3_C5";;;;;;;3.34;;0.48;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM397767;MM397767;N=c1cc(C=O)n(O)nn1;ZGRYBJIXZVVGTK-UHFFFAOYSA-N;140.1;-1.19;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP1_SP3";;;;;;;-1.93;;-4.72;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM397768;MM397768;C=C(CC=O)C(N)=CC#N;ULFSKCSGVMJKLJ-UHFFFAOYSA-N;136.15;0.5;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_Na";;;;;;;0.04;;-2.54;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM397769;MM397769;N#Cc1cc(=N)nnn1O;QUNQWDCXYSVCPD-UHFFFAOYSA-N;137.1;-1.13;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP2_SP1";;;;;;;-1.06;;-3.82;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM397770;MM397770;CON=CC(C=O)=C(C)N;KWAAQRIWJNXKMK-UHFFFAOYSA-N;142.16;0.05;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_Nda";;;;;;;-0.24;;-3.31;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM397771;MM397771;C=Cc1cc(=O)nnn1O;ZNNWVIAXWNHKJD-UHFFFAOYSA-N;139.11;-0.48;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP3_SP1";;;;;;;-1.93;;-4.72;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM397772;MM397772;CON=CC(C#N)=C(C)F;YGUJUQPTEHXCJO-UHFFFAOYSA-N;142.13;1.39;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_C5";;;;;;;0.81;;-0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM397773;MM397773;O=Cc1cc(=O)nnn1O;LKKDDBJNXDBCAE-UHFFFAOYSA-N;141.09;-1.31;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP1_SP3";;;;;;;-1.93;;-4.72;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM397774;MM397774;CON=CC(C#N)=C(F)F;JVGJVOVXRVVYFA-UHFFFAOYSA-N;146.1;1.29;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_C4";;;;;;;1.09;;-0.38;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM397775;MM397775;N#Cc1cc(=O)nnn1O;NRVPSQLDYFZZCZ-UHFFFAOYSA-N;138.09;-1.25;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP3_SP1";;;;;;;-1.93;;-4.72;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM397776;MM397776;N#CC=CC(C=O)=C(N)N;KQVWFCLDIWZHCQ-UHFFFAOYSA-N;137.14;-0.61;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nd_P2";;;;;;;-0.24;;-3.16;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM397777;MM397777;C=Cc1nc(=N)ccn1C;AOBMBNNUUATSCI-UHFFFAOYSA-N;135.17;0.54;;;;;DOPC;MDCG;27;1;"MARTINI bead: SP1_SP1";;;;;;;-0.79;;-6.22;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM397778;MM397778;C=CC(C=NN=C)=C(C)N;RZFVGVWTEWEWTA-UHFFFAOYSA-N;137.19;1.09;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nd_N0";;;;;;;1.17;;-1.04;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM397779;MM397779;Cn1ccc(=N)nc1C=O;NBAWZUFYXGYWQB-UHFFFAOYSA-N;137.14;-0.29;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP1_SP2";;;;;;;-1.06;;-3.82;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM397780;MM397780;C#CC(C=NOC)=C(C)F;ZPEBXPNLBCHMGR-UHFFFAOYSA-N;141.15;1.5;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_C4";;;;;;;1.37;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM397781;MM397781;C=Cc1nc(=O)ccn1C;DFPYDKLZXKEUIR-UHFFFAOYSA-N;136.15;0.42;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP1_SP1";;;;;;;-0.79;;-3.13;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM397782;MM397782;C#CC(C=CC=C)=C(C)C;SQDBEELICVNBPC-UHFFFAOYSA-N;132.21;2.7;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4_C4";;;;;;;3.53;;0.53;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM397783;MM397783;Cn1ccc(=O)nc1C=O;FDKKZOHEUFVFSX-UHFFFAOYSA-N;138.13;-0.41;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP1_SP2";;;;;;;-1.06;;-3.82;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM397784;MM397784;C#CC(C=NN=C)=C(N)N;GUEGFHWVIMYJOH-UHFFFAOYSA-N;136.16;-0.57;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_N0";;;;;;;0.34;;-1.53;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM397785;MM397785;C=Cc1nc(=N)ccn1N;FOVVUFVAEBMNJZ-UHFFFAOYSA-N;136.16;-0.28;;;;;DOPC;MDCG;27;1;"MARTINI bead: SP1_SP2";;;;;;;-1.06;;-5.92;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM397786;MM397786;CC(F)=C(C#CCN)CN;WPAVWGSKQKFXRN-UHFFFAOYSA-N;142.18;0.15;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nda_P2";;;;;;;-0.24;;-5.09;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM397787;MM397787;C=Cc1nc(=O)ccn1N;FVPYJVFARJVBBY-UHFFFAOYSA-N;137.14;-0.4;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP1_SP2";;;;;;;-1.06;;-3.82;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM397788;MM397788;CC(F)=C(C#CCO)CN;DBCUEUZZAVIJIL-UHFFFAOYSA-N;143.16;0.18;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nda_P2";;;;;;;-0.24;;-4.92;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM397789;MM397789;CC1(C)NC1C(=NN)NN;SKLRYWDNIPXDHM-UHFFFAOYSA-N;143.19;-1.53;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNd_P4";;;;;;;-1.19;;-4.91;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM397790;MM397790;CC(F)=C(C#CCF)CN;CCOOUNUSEFOGPO-UHFFFAOYSA-N;145.15;1.16;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nda_Na";;;;;;;0.87;;-3.6;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM397791;MM397791;C=Cc1nc(=O)ccn1O;RZQPHNQLMRTVQG-UHFFFAOYSA-N;138.13;0.12;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP1_SP2";;;;;;;-1.06;;-3.82;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM397792;MM397792;CC(F)=C(C#CCN)CO;XKTOREQUSWBDJQ-UHFFFAOYSA-N;143.16;0.18;;;;;DOPC;MDCG;27;1;"MARTINI bead: C5_P3";;;;;;;-0.33;;-3.25;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM397793;MM397793;O=Cc1nc(=O)ccn1O;FBHHZWCXBAQAFN-UHFFFAOYSA-N;140.1;-0.71;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP3_P2";;;;;;;-2.2;;-5.19;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM397794;MM397794;CC(F)=C(C#CCO)CO;BXDYNIVWFSZBNL-UHFFFAOYSA-N;144.15;0.22;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda_P2";;;;;;;-0.24;;-3.31;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM397795;MM397795;C=Cc1nc(=N)ncn1C;HLEHDBJCMDUYMJ-UHFFFAOYSA-N;136.16;-0.06;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP3_SNa";;;;;;;-1.1;;-4.2;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM397796;MM397796;CC(F)=C(C#CCF)CO;YNQFBKRXCZJALB-UHFFFAOYSA-N;146.14;1.2;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda_Na";;;;;;;0.87;;-1.99;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM397797;MM397797;Cn1cnc(=N)nc1C=O;NTNZCCYPYQOFGW-UHFFFAOYSA-N;138.13;-0.89;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP3_SP1";;;;;;;-1.93;;-4.72;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM397798;MM397798;CCC(C#CCN)=C(F)F;IDDMUZUCEJHWNH-UHFFFAOYSA-N;145.15;1.51;;;;;DOPC;MDCG;27;1;"MARTINI bead: C1_P2";;;;;;;1.8;;-0.18;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM397799;MM397799;Cn1cnc(=N)nc1C#N;RJUYBWZGPVCALK-UHFFFAOYSA-N;135.13;-0.83;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP3_SP1";;;;;;;-1.93;;-4.72;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM397800;MM397800;COC(C#CCN)=C(C)C;CCNYOUDKPDJMJB-UHFFFAOYSA-N;139.2;0.89;;;;;DOPC;MDCG;27;1;"MARTINI bead: C4_P2";;;;;;;1.09;;-1.54;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM397801;MM397801;C=Cc1nc(=O)ncn1C;BFEIVCGPVYRCRA-UHFFFAOYSA-N;137.14;-0.18;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP3_SNa";;;;;;;-1.1;;-4.2;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM397802;MM397802;COC(C#CCO)=C(C)C;PMRPYJULSOFVFK-UHFFFAOYSA-N;140.18;0.92;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4_P2";;;;;;;1.09;;-0.38;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM397803;MM397803;Cn1cnc(=O)nc1C=O;FQBBZUPMKBEZOE-UHFFFAOYSA-N;139.11;-1.01;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP3_SP1";;;;;;;-1.93;;-4.72;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM397804;MM397804;COC(C#CCF)=C(C)C;PNXPPUDSXCETDZ-UHFFFAOYSA-N;142.17;1.9;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4_Na";;;;;;;2.2;;0.34;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM397805;MM397805;Cn1cnc(=O)nc1C#N;ZJCSJGLJPWQNGY-UHFFFAOYSA-N;136.11;-0.95;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP3_SP1";;;;;;;-1.93;;-4.72;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM397806;MM397806;CCC#CC(OC)=C(C)F;IOUPMYCVGWIZGU-UHFFFAOYSA-N;142.17;2.25;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_C5";;;;;;;2.41;;0.64;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM397807;MM397807;C=Cc1nc(=N)ncn1N;PVGJRRGBMZWUGL-UHFFFAOYSA-N;137.15;-0.89;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP4_SNa";;;;;;;-1.19;;-4.76;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM397808;MM397808;COC(C#CCN)=C(C)F;URTQHQGXMQGNQO-UHFFFAOYSA-N;143.16;0.8;;;;;DOPC;MDCG;27;1;"MARTINI bead: P2_C5";;;;;;;0.54;;-2.23;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM397809;MM397809;C=Cc1nc(=O)ncn1N;ZXXJGSWBWSJQNV-UHFFFAOYSA-N;138.13;-1;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP4_SNa";;;;;;;-1.19;;-4.76;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM397810;MM397810;COC(C#CCO)=C(C)F;GFGACIMGVUDVCK-UHFFFAOYSA-N;144.15;0.83;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_P2";;;;;;;0.54;;-1.09;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM397811;MM397811;C=CC1(C)CC(OC)=NN1;XBXWXWQTRUNSBU-UHFFFAOYSA-N;140.19;0.88;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP1_SNd";;;;;;;0.04;;-2.63;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM397812;MM397812;COC(C#CCF)=C(C)F;UKAYCVZQABPINC-UHFFFAOYSA-N;146.14;1.81;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_Na";;;;;;;1.64;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM397813;MM397813;C=CC(=C)NC(CF)=NN;JVNPYHAKYICNCY-UHFFFAOYSA-N;143.17;0.52;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_C4";;;;;;;1.09;;-0.38;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM397814;MM397814;COC(C#CCN)=C(F)F;BTKXBQSUDRDKOT-UHFFFAOYSA-N;147.12;0.7;;;;;DOPC;MDCG;27;1;"MARTINI bead: C5_P2";;;;;;;0.54;;-2.17;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM397815;MM397815;C=Cc1nc(=O)ncn1O;YAZQQFCAIXBMTN-UHFFFAOYSA-N;139.11;-0.48;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP5_SNa";;;;;;;-1.11;;-5.49;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM397816;MM397816;COC(C#CCO)=C(F)F;SHFRUEJKNOYJJM-UHFFFAOYSA-N;148.11;0.74;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4_P1";;;;;;;1.37;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM397817;MM397817;O=Cc1nc(=O)ncn1O;DAPBCDMFBAKNLK-UHFFFAOYSA-N;141.09;-1.31;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP5_SP1";;;;;;;-1.94;;-5.95;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM397818;MM397818;COC(C#CCF)=C(F)F;IKOQYHTWKBAXJQ-UHFFFAOYSA-N;150.1;1.71;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_Na";;;;;;;1.64;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM397819;MM397819;CC(C)=C(C#CC#N)CF;WONGYRJTQSVCDZ-UHFFFAOYSA-N;137.16;1.82;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4_Na";;;;;;;2.2;;0.34;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM397820;MM397820;N#Cc1nc(=O)ncn1O;QXWMVJUBYIEEJP-UHFFFAOYSA-N;138.09;-1.25;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP5_SP1";;;;;;;-1.94;;-5.95;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM397821;MM397821;CCC(C#CC=O)=C(C)F;JNPTVGFIWPRVCU-UHFFFAOYSA-N;140.16;1.84;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1_P1";;;;;;;2.08;;0.48;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM397822;MM397822;C=Cc1nc(=N)cnn1C;VBWMDMSQHHYBMY-UHFFFAOYSA-N;136.16;-0.06;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP3_N0";;;;;;;-0.8;;-2.99;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM397823;MM397823;C=CC#CC(CO)=C(C)F;OKQSNKQRKKTQGN-UHFFFAOYSA-N;140.16;1.41;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda_N0";;;;;;;1.17;;-1.13;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM397824;MM397824;C=Cc1nc(=O)cnn1C;XSDJJNJCPIFMCQ-UHFFFAOYSA-N;137.14;-0.18;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP4_N0";;;;;;;-0.88;;-3.74;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM397825;MM397825;N#CC#CC(CF)=C(F)F;WJZHKTZLCHGGSJ-UHFFFAOYSA-N;145.08;1.63;;;;;DOPC;MDCG;27;0;"MARTINI bead: N0_C4";;;;;;;2.5;;0.44;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM397826;MM397826;C=Cc1nc(=N)nnn1C;JYGKENFZVGEZMH-UHFFFAOYSA-N;137.15;-0.67;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNa_SP4";;;;;;;-1.19;;-4.76;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM397827;MM397827;C=CC#CC(OC)=C(C)C;QMKMCGGZUFKJGU-UHFFFAOYSA-N;136.19;2.12;;;;;DOPC;MDCG;27;0;"MARTINI bead: N0_C4";;;;;;;2.5;;0.44;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM397828;MM397828;Cn1nnc(=N)nc1C=O;KOTNLUPGKKNPSI-UHFFFAOYSA-N;139.12;-1.5;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP4_SP2";;;;;;;-2.29;;-5.95;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM397829;MM397829;COC(C#CC=O)=C(C)C;DMCCVWBDLUSJPF-UHFFFAOYSA-N;138.17;1.13;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4_P1";;;;;;;1.37;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM397830;MM397830;Cn1nnc(=N)nc1C#N;QZYYZIWCXJBDSR-UHFFFAOYSA-N;136.12;-1.44;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP2_SP4";;;;;;;-2.29;;-5.95;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM397831;MM397831;C=CC#CC(OC)=C(C)F;HXCIKRHJBBIFLM-UHFFFAOYSA-N;140.16;2.02;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_N0";;;;;;;1.94;;0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM397832;MM397832;C=Cc1nc(=O)nnn1C;NNHOPKAIXNUVQZ-UHFFFAOYSA-N;138.13;-0.79;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNa_SP5";;;;;;;-1.11;;-5.49;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM397833;MM397833;COC(C#CC=O)=C(C)F;NHWMFBKUYQZXFM-UHFFFAOYSA-N;142.13;1.04;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_P1";;;;;;;0.81;;-0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM397834;MM397834;Cn1nnc(=O)nc1C=O;MMIRZIBJJZJWKA-UHFFFAOYSA-N;140.1;-1.62;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP2_SP5";;;;;;;-2.22;;-6.53;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM397835;MM397835;COC(C#CC#N)=C(C)F;NLNNHNVJJRCASS-UHFFFAOYSA-N;139.13;1.36;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_N0";;;;;;;1.94;;0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM397836;MM397836;Cn1nnc(=O)nc1C#N;RYKPKGCYONIULK-UHFFFAOYSA-N;137.1;-1.56;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP2_SP5";;;;;;;-2.22;;-6.53;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM397837;MM397837;C=CC#CC(OC)=C(F)F;CBQNIKGRTIYJSX-UHFFFAOYSA-N;144.12;1.93;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_N0";;;;;;;1.94;;0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM397838;MM397838;C=Cc1nc(=N)nnn1N;VGYDUSZMEYJOOT-UHFFFAOYSA-N;138.13;-1.49;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP4_SP2";;;;;;;-2.29;;-5.95;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM397839;MM397839;COC(C#CC=O)=C(F)F;PQPAVRJPAPLESK-UHFFFAOYSA-N;146.09;0.94;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_N0";;;;;;;1.17;;-1.18;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM397840;MM397840;C=Cc1nc(=O)nnn1N;YTZBUSAMYRZGNV-UHFFFAOYSA-N;139.12;-1.61;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP4_SP2";;;;;;;-2.29;;-5.95;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM397841;MM397841;COC(C#CC#N)=C(F)F;QQLRIKDOBYWHDZ-UHFFFAOYSA-N;143.09;1.27;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_N0";;;;;;;1.94;;0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM397842;MM397842;C=Cc1nc(=N)nnn1O;UPKYORATOGJSKT-UHFFFAOYSA-N;139.12;-0.97;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP5_SP2";;;;;;;-2.22;;-6.53;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM397843;MM397843;C#CC#CC(CO)=C(C)F;JTNXDYWRNIXPFR-UHFFFAOYSA-N;138.14;0.86;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda_N0";;;;;;;1.17;;-1.13;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM397844;MM397844;N=c1nnn(O)c(C=O)n1;ZCOXEUZVXNAREQ-UHFFFAOYSA-N;141.09;-1.8;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP1_SP4";;;;;;;-2.01;;-5.13;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM397845;MM397845;C#CC#CC(OC)=C(C)C;VLMWWRPIYJKVNB-UHFFFAOYSA-N;134.18;1.56;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4_N0";;;;;;;2.5;;0.44;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM397846;MM397846;N#Cc1nc(=N)nnn1O;RMMIIWMVAQIFSK-UHFFFAOYSA-N;138.09;-1.74;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP5_SP2";;;;;;;-2.22;;-6.53;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM397847;MM397847;C#CC#CC(OC)=C(C)F;ZPIPPTFQXRCSRT-UHFFFAOYSA-N;138.14;1.47;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_N0";;;;;;;1.94;;0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM397848;MM397848;C=Cc1nc(=O)nnn1O;NBKHAUSIDYVKAP-UHFFFAOYSA-N;140.1;-1.09;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP3_SP2";;;;;;;-2.2;;-5.19;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM397849;MM397849;CC(C)=C(C#CCO)C=O;JDQULTWISAVPIR-UHFFFAOYSA-N;138.17;0.52;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_P1";;;;;;;0.81;;-0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM397850;MM397850;O=Cc1nc(=O)nnn1O;KFEVOFDHHNVVPY-UHFFFAOYSA-N;142.07;-1.92;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP1_SP5";;;;;;;-1.94;;-5.95;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM397851;MM397851;C#CC(C#N)NC1(C)CC1;ORVSNRFIZYETTI-UHFFFAOYSA-N;134.18;0.65;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC5_P1";;;;;;;0.81;;-0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM397852;MM397852;N#Cc1nc(=O)nnn1O;DSYPSWGFZDMZME-UHFFFAOYSA-N;139.07;-1.86;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP3_SP2";;;;;;;-2.2;;-5.19;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM397853;MM397853;CC(N)=C(C#N)C#CCF;MIJAJISSYPOMMB-UHFFFAOYSA-N;138.15;0.72;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nd_Na";;;;;;;0.87;;-1.88;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM397854;MM397854;C#Cc1cc(=O)ccn1C;WOWMGZZBYVAKSC-UHFFFAOYSA-N;133.15;0.37;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP1_SN0";;;;;;;0.34;;-1.53;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM397855;MM397855;C=CC(C#CCF)=C(C)F;IQCZEKRQZVPUIG-UHFFFAOYSA-N;142.15;2.39;;;;;DOPC;MDCG;27;0;"MARTINI bead: C3_Na";;;;;;;2.57;;0.45;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM397856;MM397856;C#Cc1cc(=O)ccn1N;GFDHZYYOCKWTBS-UHFFFAOYSA-N;134.14;-0.46;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP2_SN0";;;;;;;0.06;;-2.21;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM397857;MM397857;CC(F)=C(C#N)C#CCO;BQXOBYWAKBWBSW-UHFFFAOYSA-N;139.13;0.75;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_P2";;;;;;;0.54;;-1.09;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM397858;MM397858;C#Cc1cc(=O)ccn1O;KVCBFIAANUWECQ-UHFFFAOYSA-N;135.12;0.07;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP2_SN0";;;;;;;0.06;;-2.21;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM397859;MM397859;N#CC(C#CCO)=C(N)N;SVZOFAULMQBPGI-UHFFFAOYSA-N;137.14;-1.37;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_P2";;;;;;;-1.06;;-3.82;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM397860;MM397860;C#Cc1cc(=N)ncn1C;RHKKAOMGIBNDGB-UHFFFAOYSA-N;133.15;-0.12;;;;;DOPC;MDCG;27;1;"MARTINI bead: SP2_SN0";;;;;;;0.06;;-3.4;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM397861;MM397861;C=CC(C#CCO)=C(F)F;TVLDBHOBWCMZRU-UHFFFAOYSA-N;144.12;1.32;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_C3";;;;;;;1.46;;-0.15;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM397862;MM397862;C#Cc1cc(=O)ncn1C;YCHBRXAWENLTHL-UHFFFAOYSA-N;134.14;-0.24;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP2_SN0";;;;;;;0.06;;-2.21;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM397863;MM397863;N#CC(C#CCO)=C(F)F;ALNCFJABIGSOLJ-UHFFFAOYSA-N;143.09;0.66;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_C4";;;;;;;1.09;;-0.38;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM397864;MM397864;C#Cc1cc(=O)ncn1N;DDCSGFJCRBHUSZ-UHFFFAOYSA-N;135.13;-1.06;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP3_SN0";;;;;;;-0.8;;-2.99;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM397865;MM397865;CC(C)=C(C#N)C#CC=O;PVULAMHZEWJUJT-UHFFFAOYSA-N;133.15;1.05;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_P1";;;;;;;0.81;;-0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM397866;MM397866;CCC(F)=CC(=NN)NN;YHKDCNJEHXCFIW-UHFFFAOYSA-N;146.17;-0.01;;;;;DOPC;MDCG;27;0;"MARTINI bead: C3_P4";;;;;;;0.52;;-1.59;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM397867;MM397867;C=CC#CC(C#N)=C(C)N;VRXRXSLIJSLIFU-UHFFFAOYSA-N;132.17;0.93;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nd_N0";;;;;;;1.17;;-1.04;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM397868;MM397868;C#Cc1cc(=O)ncn1O;SGRHZFWSNJFAGJ-UHFFFAOYSA-N;136.11;-0.54;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP3_SN0";;;;;;;-0.8;;-2.99;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM397869;MM397869;C=CC(C#CC=O)=C(C)F;YLTNPNVAIVIXGB-UHFFFAOYSA-N;138.14;1.62;;;;;DOPC;MDCG;27;0;"MARTINI bead: C3_P1";;;;;;;1.74;;0.29;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM397870;MM397870;C#Cc1cc(=N)nnn1C;NBOUTAQWNMDEAR-UHFFFAOYSA-N;134.14;-0.72;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP1_SP3";;;;;;;-1.93;;-4.72;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM397871;MM397871;CC(F)=C(C#N)C#CC=O;FNEXCCFPNHIUDI-UHFFFAOYSA-N;137.11;0.96;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_P1";;;;;;;0.81;;-0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM397872;MM397872;C#Cc1cc(=O)nnn1C;JQQGOTRTAHUMTH-UHFFFAOYSA-N;135.13;-0.84;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP1_SP3";;;;;;;-1.93;;-4.72;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM397873;MM397873;C=CC#CC(C#N)=C(N)N;WMGWTRJDPRBSNF-UHFFFAOYSA-N;133.15;-0.17;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_N0";;;;;;;0.34;;-1.53;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM397874;MM397874;C#Cc1cc(=N)nnn1N;HMMXPIALGMRCBU-UHFFFAOYSA-N;135.13;-1.55;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP2_SP1";;;;;;;-1.06;;-3.82;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM397875;MM397875;C=CC(C#CC=O)=C(F)F;SRCXYNVJOCNZPP-UHFFFAOYSA-N;142.1;1.53;;;;;DOPC;MDCG;27;0;"MARTINI bead: C3_P1";;;;;;;1.74;;0.29;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM397876;MM397876;C#Cc1cc(=O)nnn1N;LNAQPAGGNSWFRP-UHFFFAOYSA-N;136.11;-1.67;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP3_SP1";;;;;;;-1.93;;-4.72;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM397877;MM397877;N#CC(C#CC=O)=C(F)F;YIBSZZLIBKIMPD-UHFFFAOYSA-N;141.08;0.86;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4_P1";;;;;;;1.37;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM397878;MM397878;C#Cc1cc(=N)nnn1O;ISWDMKJYEPINSB-UHFFFAOYSA-N;136.11;-1.02;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP2_SP1";;;;;;;-1.06;;-3.82;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM397879;MM397879;C#CC(C#CCO)=C(C)C;NVEOGJCZNBAVDN-UHFFFAOYSA-N;134.18;0.95;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4_P2";;;;;;;1.09;;-0.38;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM397880;MM397880;C#Cc1cc(=O)nnn1O;SCXBQPQVJINMNP-UHFFFAOYSA-N;137.1;-1.14;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP3_SP1";;;;;;;-1.93;;-4.72;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM397881;MM397881;C#CC(C#CCF)=C(C)C;BFXFGRXEAHYKAY-UHFFFAOYSA-N;136.17;1.93;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4_Na";;;;;;;2.2;;0.34;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM397882;MM397882;C#Cc1nc(=N)ccn1C;KDZNAFWEPZVDEU-UHFFFAOYSA-N;133.15;-0.12;;;;;DOPC;MDCG;27;1;"MARTINI bead: SP1_SP2";;;;;;;-1.06;;-5;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM397883;MM397883;C#CC(C#CCN)=C(C)F;QJRJKXFLZCAMOA-UHFFFAOYSA-N;137.16;0.83;;;;;DOPC;MDCG;27;1;"MARTINI bead: C4_P2";;;;;;;1.09;;-1.55;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM397884;MM397884;C#Cc1nc(=O)ccn1C;UGTFFQUEDZTTTG-UHFFFAOYSA-N;134.14;-0.24;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP1_SP2";;;;;;;-1.06;;-3.82;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM397885;MM397885;C#CC(C#CCO)=C(C)F;RUVGWOYAIAHCOK-UHFFFAOYSA-N;138.14;0.86;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4_P2";;;;;;;1.09;;-0.38;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM397886;MM397886;C#Cc1nc(=O)ccn1N;WDGHULMTCZREGN-UHFFFAOYSA-N;135.13;-1.06;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP1_SP2";;;;;;;-1.06;;-3.82;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM397887;MM397887;C#CC(C#CCO)=C(F)F;MCRROEAUUWIANT-UHFFFAOYSA-N;142.1;0.77;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_C4";;;;;;;1.09;;-0.38;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM397888;MM397888;CCC(=NN)NC=C(F)F;YUTRYFZJYZPLAH-UHFFFAOYSA-N;149.14;1;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nd_Nd";;;;;;;0.87;;-2.11;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM397889;MM397889;C#CC(C#CCF)=C(F)F;PVTMOJCRXCWWKL-UHFFFAOYSA-N;144.1;1.74;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_C4";;;;;;;2.2;;0.34;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM397890;MM397890;C#Cc1nc(=O)ccn1O;BLPNCVJDMZJTEE-UHFFFAOYSA-N;136.11;-0.54;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP3_P1";;;;;;;-1.93;;-4.72;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM397891;MM397891;C#CC(C#CC=O)=C(C)C;SUOXMJRFTOHDLN-UHFFFAOYSA-N;132.16;1.16;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4_P1";;;;;;;1.37;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM397892;MM397892;C#Cc1nc(=N)ncn1C;AODJRSUBQNSMFV-UHFFFAOYSA-N;134.14;-0.72;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP3_SP1";;;;;;;-1.93;;-4.72;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM397893;MM397893;C#CC(C#CC=O)=C(C)F;APRFQMDUXKTASK-UHFFFAOYSA-N;136.13;1.07;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4_P1";;;;;;;1.37;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM397894;MM397894;C#Cc1nc(=O)ncn1C;HSYXUERFPWNECE-UHFFFAOYSA-N;135.13;-0.84;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP3_SP1";;;;;;;-1.93;;-4.72;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM397895;MM397895;C#CC(C#CC=O)=C(F)F;BKKGUACNJMPLCO-UHFFFAOYSA-N;140.09;0.97;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4_P1";;;;;;;1.37;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM397896;MM397896;C#Cc1nc(=N)ncn1N;XDBVUPXLVWZXJP-UHFFFAOYSA-N;135.13;-1.55;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP4_SP1";;;;;;;-2.01;;-5.13;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM397897;MM397897;CC#CC1(CC)C=CC=C1;UBHIELKUQSTISA-UHFFFAOYSA-N;132.21;2.53;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC2_SC5";;;;;;;3.6;;0.34;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM397898;MM397898;C#Cc1nc(=O)ncn1N;BMZVSRGXVGXERF-UHFFFAOYSA-N;136.11;-1.67;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP4_SP1";;;;;;;-2.01;;-5.13;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM397899;MM397899;C=CCC1(COC=C)CC1;ASBAEWJWNONNRY-UHFFFAOYSA-N;138.21;2.5;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC4_Na";;;;;;;2.2;;0.34;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM397900;MM397900;C#Cc1nc(=O)ncn1O;ZVLGBSMITNSHLD-UHFFFAOYSA-N;137.1;-1.14;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP5_SP1";;;;;;;-1.94;;-5.95;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM397901;MM397901;C#CCC1(CCCC)CC1;GGOGVBZFZFEEBI-UHFFFAOYSA-N;136.24;2.98;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1_SC4";;;;;;;4.24;;0.42;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM397902;MM397902;C#Cc1nc(=N)nnn1C;ATJRBAZJRCCUER-UHFFFAOYSA-N;135.13;-1.33;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP1_SP4";;;;;;;-2.01;;-5.13;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM397903;MM397903;C#CCC1(CCNC)CC1;KRIRFKTYVCGWDI-UHFFFAOYSA-N;137.23;1.4;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_SC4";;;;;;;2.2;;-2.53;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM397904;MM397904;C#Cc1nc(=O)nnn1C;MJUAFHMMZJUGHP-UHFFFAOYSA-N;136.11;-1.45;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP1_SP5";;;;;;;-1.94;;-5.95;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM397905;MM397905;C#CCC1(CCOC)CC1;ZMGUBLDYNOUZLE-UHFFFAOYSA-N;138.21;1.83;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_SC4";;;;;;;2.2;;0.34;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM397906;MM397906;C#Cc1nc(=N)nnn1N;SVIVMTULXIPWBJ-UHFFFAOYSA-N;136.12;-2.15;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP4_SP2";;;;;;;-2.29;;-5.95;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM397907;MM397907;C#CCC1(CCCO)CO1;NTMHREYTBWGLHL-UHFFFAOYSA-N;140.18;0.55;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda_SNa";;;;;;;0.87;;-1.99;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM397908;MM397908;C#Cc1nc(=O)nnn1N;CZCZTEFACQMKBR-UHFFFAOYSA-N;137.1;-2.27;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP4_SP2";;;;;;;-2.29;;-5.95;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM397909;MM397909;C#CCC1(CCC=C)CC1;LIAYVSPLMYCGLN-UHFFFAOYSA-N;134.22;2.76;;;;;DOPC;MDCG;27;0;"MARTINI bead: C3_SC4";;;;;;;3.9;;0.47;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM397910;MM397910;C#Cc1nc(=N)nnn1O;SVEMKGMMOPMZRX-UHFFFAOYSA-N;137.1;-1.63;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP5_SP2";;;;;;;-2.22;;-6.53;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM397911;MM397911;C#CCC1(CCC=C)CO1;BZQWIOUKFRRHAN-UHFFFAOYSA-N;136.19;1.74;;;;;DOPC;MDCG;27;0;"MARTINI bead: C3_SNa";;;;;;;2.57;;0.45;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM397912;MM397912;C#Cc1nc(=O)nnn1O;BHWAKXFPBMCOGJ-UHFFFAOYSA-N;138.09;-1.75;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP3_SP2";;;;;;;-2.2;;-5.19;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM397913;MM397913;C#CCC1(CCC#N)CO1;WUGWEDPHYNRYMV-UHFFFAOYSA-N;135.17;1.08;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNa_P1";;;;;;;0.04;;-2.54;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM397914;MM397914;CCc1cn(C)ccc1=O;SACVLPNWGFEOCW-UHFFFAOYSA-N;137.18;0.95;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC5_SP1";;;;;;;0.81;;-0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM397915;MM397915;C#CCCC1(CC#C)CC1;DLXLACIUQSELCX-UHFFFAOYSA-N;132.21;2.2;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_SC4";;;;;;;2.97;;0.45;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM397916;MM397916;Cn1ccc(=O)c(CN)c1;GTVNRIMMMAUEFL-UHFFFAOYSA-N;138.17;-0.16;;;;;DOPC;MDCG;27;1;"MARTINI bead: SP1_P2";;;;;;;-1.06;;-5.47;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM397917;MM397917;C#CCNC1(CC#C)CC1;UXZYSGWQCYDIIA-UHFFFAOYSA-N;133.19;0.77;;;;;DOPC;MDCG;27;1;"MARTINI bead: P2_SC4";;;;;;;1.09;;-1.58;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM397918;MM397918;Cn1ccc(=O)c(CO)c1;XQMRGJBJZITOMH-UHFFFAOYSA-N;139.15;-0.12;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP1_SNda";;;;;;;0.04;;-2.73;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM397919;MM397919;C#CCC1(CC=CC)CC1;CXQKQGMBTJESCL-UHFFFAOYSA-N;134.22;2.76;;;;;DOPC;MDCG;27;0;"MARTINI bead: C2_SC4";;;;;;;4.16;;0.44;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM397920;MM397920;Cn1ccc(=O)c(CF)c1;ZXSJRYNLCWMURG-UHFFFAOYSA-N;141.15;0.85;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP1_SNa";;;;;;;0.04;;-2.54;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM397921;MM397921;C#CCC1(NN=CC)CC1;MTZVPNXXAICFRE-UHFFFAOYSA-N;136.2;1.14;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nd_SC4";;;;;;;2.2;;0.32;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM397922;MM397922;CCc1cn(N)ccc1=O;OZVLPRNPFSSEAL-UHFFFAOYSA-N;138.17;0.12;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC5_SP2";;;;;;;0.54;;-1.09;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM397923;MM397923;C=CCC1(CC#CC)CC1;PVIPYJDWBMCIBR-UHFFFAOYSA-N;134.22;2.76;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4_SC4";;;;;;;3.53;;0.53;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM397924;MM397924;C=CC1(CC)CC1C(C)O;SEDNDGIFXUTNNR-UHFFFAOYSA-N;140.23;1.97;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC3_P1";;;;;;;1.74;;0.29;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM397925;MM397925;CC(C)C1(CN)CCC1C;TYMIMVGYVBZLOA-UHFFFAOYSA-N;141.26;2.02;;;;;DOPC;MDCG;27;1;"MARTINI bead: SC5_SC4";;;;;;;2.97;;0.2;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM397926;MM397926;Nn1ccc(=O)c(CF)c1;YIAKYZSFMNIAMT-UHFFFAOYSA-N;142.13;0.03;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP2_SNa";;;;;;;-0.24;;-3.24;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM397927;MM397927;C#CC1(C(C)C)CCN1C;RNWFBMNZVDPBPI-UHFFFAOYSA-N;137.23;1.35;;;;;DOPC;MDCG;27;1;"MARTINI bead: SN0_SNd";;;;;;;1.17;;-2.5;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM397928;MM397928;CCc1cn(O)ccc1=O;XVLACCANRLGCIA-UHFFFAOYSA-N;139.15;0.65;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC5_SP2";;;;;;;0.54;;-1.09;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM397929;MM397929;C=C(C)C1(CN)CCC1C;YDOUVJBZTJCTOU-UHFFFAOYSA-N;139.24;1.94;;;;;DOPC;MDCG;27;1;"MARTINI bead: SC4_SC5";;;;;;;2.97;;0.23;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM397930;MM397930;O=c1ccn(O)cc1CF;KLMJUAQXWQQNFK-UHFFFAOYSA-N;143.12;0.56;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP2_SNa";;;;;;;-0.24;;-3.24;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM397931;MM397931;C=C(C)C1(CC)CCC1N;RXWCIMDVQRJFKK-UHFFFAOYSA-N;139.24;2.08;;;;;DOPC;MDCG;27;1;"MARTINI bead: SC1_SNd";;;;;;;2.91;;-0.29;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM397932;MM397932;CNc1cn(C)ccc1=O;CHFULTYWPRQFCL-UHFFFAOYSA-N;138.17;0.43;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNd_SP1";;;;;;;0.04;;-2.63;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM397933;MM397933;C=C(C)C1(CC)CNC1C;VPNNSTSOVREKTM-UHFFFAOYSA-N;139.24;1.95;;;;;DOPC;MDCG;27;1;"MARTINI bead: SN0_SNd";;;;;;;1.17;;-3.89;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM397934;MM397934;CNc1cn(N)ccc1=O;DHIYHGLAIULTNY-UHFFFAOYSA-N;139.16;-0.4;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNd_SP2";;;;;;;-0.24;;-3.16;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM397935;MM397935;C=CC1(C(=C)C)CCC1C;DAEGCGLBNCCTBO-UHFFFAOYSA-N;136.24;3.16;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC4_SC1";;;;;;;4.24;;0.42;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM397936;MM397936;C=CC1(CC)CCC(O)C1;IDXVJPNLPHUXLH-UHFFFAOYSA-N;140.23;2.11;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC1_SNda";;;;;;;2.91;;0.57;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM397937;MM397937;C=C(C)C1(C=O)CCC1C;HIFVLMLOUAFHIO-UHFFFAOYSA-N;138.21;2.18;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC4_SC5";;;;;;;2.97;;0.45;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM397938;MM397938;COc1cn(C)ccc1=O;QMGCHKIKEVZBKZ-UHFFFAOYSA-N;139.15;0.39;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNa_SP1";;;;;;;0.04;;-2.54;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM397939;MM397939;C=CC1(C(=C)C)NCC1C;XHPSGYLEEUVYRN-UHFFFAOYSA-N;137.23;1.73;;;;;DOPC;MDCG;27;1;"MARTINI bead: SNd_SN0";;;;;;;1.17;;-3.21;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM397940;MM397940;COc1cn(N)ccc1=O;VFSAHUBUUXWFKP-UHFFFAOYSA-N;140.14;-0.43;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNa_SP2";;;;;;;-0.24;;-3.24;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM397941;MM397941;C=CC1(C(=C)C)OCC1C;IBKQTQVXUQHGMP-UHFFFAOYSA-N;138.21;2.15;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNa_SC4";;;;;;;2.2;;0.34;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM397942;MM397942;C=CC1(C(=C)C)CCN1C;VJFODOCOLZHEMY-UHFFFAOYSA-N;137.23;1.82;;;;;DOPC;MDCG;27;1;"MARTINI bead: SNd_SN0";;;;;;;1.17;;-2.16;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM397943;MM397943;COc1cn(O)ccc1=O;PKOXOCGWVGYVRU-UHFFFAOYSA-N;141.13;0.09;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNa_SP2";;;;;;;-0.24;;-3.24;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM397944;MM397944;C#CC1(C(=C)C)NCC1C;AFHZCRJCNZEETF-UHFFFAOYSA-N;135.21;1.17;;;;;DOPC;MDCG;27;1;"MARTINI bead: SNd_SN0";;;;;;;1.17;;-2.64;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM397945;MM397945;CCc1cn(C)cnc1=N;JDMFYJYOOARABH-UHFFFAOYSA-N;137.19;0.46;;;;;DOPC;MDCG;27;1;"MARTINI bead: SN0_SP2";;;;;;;0.06;;-4.74;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM397946;MM397946;C=C(C)C1(C#N)CCC1=O;SGBQNPVKKANWBE-UHFFFAOYSA-N;135.17;1.44;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC5_SNa";;;;;;;1.64;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM397947;MM397947;Cn1cnc(=N)c(CN)c1;GAISGRVXBFZDQZ-UHFFFAOYSA-N;138.17;-0.64;;;;;DOPC;MDCG;27;1;"MARTINI bead: SP2_SP2";;;;;;;-1.34;;-6.65;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM397948;MM397948;C=C(C)C1(C#N)CNC1=O;IXHKNSNIIKDXKN-UHFFFAOYSA-N;136.15;0.2;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP1_SP2";;;;;;;-1.06;;-3.82;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM397949;MM397949;Cn1cnc(=N)c(CO)c1;PHSXMRAQOQQPPY-UHFFFAOYSA-N;139.16;-0.61;;;;;DOPC;MDCG;27;1;"MARTINI bead: SP2_SP1";;;;;;;-1.06;;-5.96;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM397950;MM397950;Cn1cnc(=N)c(CF)c1;FJVNSYDHWBGCEA-UHFFFAOYSA-N;141.15;0.37;;;;;DOPC;MDCG;27;1;"MARTINI bead: SP2_SNa";;;;;;;-0.24;;-5.3;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM397951;MM397951;C#CC(C#C)CC(O)CC;GDTFGVXQMPYTPJ-UHFFFAOYSA-N;136.19;1.03;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda_C5";;;;;;;1.64;;0.05;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM397952;MM397952;CCc1cn(N)cnc1=N;YFEKNFQFCTYHJN-UHFFFAOYSA-N;138.17;-0.36;;;;;DOPC;MDCG;27;1;"MARTINI bead: SN0_SP3";;;;;;;-0.8;;-4.46;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM397953;MM397953;C#CC1(C(=C)C)CCC1=O;JIBBNEXMFSLQKA-UHFFFAOYSA-N;134.18;1.55;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC4_SNa";;;;;;;2.2;;0.34;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM397954;MM397954;N=c1ncn(N)cc1CO;VBRINZNOBPZTTQ-UHFFFAOYSA-N;140.15;-1.43;;;;;DOPC;MDCG;27;1;"MARTINI bead: SP3_SP1";;;;;;;-1.93;;-5.82;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM397955;MM397955;CCCCC1(CC)CC1C;KUMMLKUHBYAPDG-UHFFFAOYSA-N;140.27;3.61;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1_SC3";;;;;;;4.61;;0.31;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM397956;MM397956;N=c1ncn(N)cc1CF;JEIZYVILWSSABY-UHFFFAOYSA-N;142.14;-0.45;;;;;DOPC;MDCG;27;1;"MARTINI bead: SP3_SNa";;;;;;;-1.1;;-5.22;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM397957;MM397957;CCC1(CCCN)CC1C;ZWVOQPIIFVQRDP-UHFFFAOYSA-N;141.26;2.16;;;;;DOPC;MDCG;27;1;"MARTINI bead: SC3_Nd";;;;;;;2.57;;-1.51;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM397958;MM397958;CCc1cn(C)cnc1=O;VJSMQHQPPYTBDO-UHFFFAOYSA-N;138.17;0.34;;;;;DOPC;MDCG;27;0;"MARTINI bead: SN0_SP2";;;;;;;0.06;;-2.21;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM397959;MM397959;CCC1(CCCO)CC1C;PQUSQVOSXIGFOS-UHFFFAOYSA-N;142.24;2.2;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC3_Nda";;;;;;;2.57;;0.44;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM397960;MM397960;Cn1cnc(=O)c(CO)c1;UYLZOMNJMKHNDP-UHFFFAOYSA-N;140.14;-0.73;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP2_SP1";;;;;;;-1.06;;-3.82;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM397961;MM397961;CC1CC1(CN)CCCO;MDAGLGJKUHXWPU-UHFFFAOYSA-N;143.23;0.74;;;;;DOPC;MDCG;27;1;"MARTINI bead: SNd_Nda";;;;;;;0.87;;-4.41;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM397962;MM397962;Cn1cnc(=O)c(CF)c1;NEDWAMMTHHEVKE-UHFFFAOYSA-N;142.13;0.25;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP2_SNa";;;;;;;-0.24;;-3.24;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM397963;MM397963;CC1CC1(CN)CCCF;BFVHLGFAIXQDHL-UHFFFAOYSA-N;145.22;1.72;;;;;DOPC;MDCG;27;1;"MARTINI bead: SNd_C4";;;;;;;2.2;;-1.92;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM397964;MM397964;CCc1cn(N)cnc1=O;SJOXGXFOEMHVCO-UHFFFAOYSA-N;139.16;-0.48;;;;;DOPC;MDCG;27;0;"MARTINI bead: SN0_SP3";;;;;;;-0.8;;-2.99;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM397965;MM397965;CC(F)C#CC(=NN)NN;JYATTZMLOHWYHE-UHFFFAOYSA-N;144.15;-0.92;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_P2";;;;;;;0.54;;-1.09;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM397966;MM397966;CCC1(CC2(O)CC2)CC1;CJLCEITWWBVVRE-UHFFFAOYSA-N;140.23;2.09;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC3_SNda";;;;;;;2.57;;0.44;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM397967;MM397967;CCC1(CCCO)CC1N;HPXDBMUEDSNHKV-UHFFFAOYSA-N;143.23;0.89;;;;;DOPC;MDCG;27;1;"MARTINI bead: SNd_Nda";;;;;;;0.87;;-4.23;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM397968;MM397968;Nn1cnc(=O)c(CF)c1;JZYGIIQPYJLQRP-UHFFFAOYSA-N;143.12;-0.57;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP3_SNa";;;;;;;-1.1;;-4.2;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM397969;MM397969;NC1CC1(CO)CCCF;IADAKZAHGWHHKG-UHFFFAOYSA-N;147.19;0.45;;;;;DOPC;MDCG;27;1;"MARTINI bead: SP1_C5";;;;;;;0.81;;-2.43;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM397970;MM397970;CCc1cn(O)cnc1=O;STUPBKDCQBUCID-UHFFFAOYSA-N;140.14;0.04;;;;;DOPC;MDCG;27;0;"MARTINI bead: SN0_SP3";;;;;;;-0.8;;-2.99;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM397971;MM397971;CCCCC1(CN)CC1O;WJCGFVLNXWABEK-UHFFFAOYSA-N;143.23;0.89;;;;;DOPC;MDCG;27;1;"MARTINI bead: C1_SP2";;;;;;;1.8;;-1.02;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM397972;MM397972;O=c1ncn(O)cc1CO;JJQDQHJJHGNDPL-UHFFFAOYSA-N;142.11;-1.03;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP1_SP3";;;;;;;-1.93;;-4.72;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM397973;MM397973;CCC1(CCNC)CC1C;WGUBGNUSOMXLNR-UHFFFAOYSA-N;141.26;2.03;;;;;DOPC;MDCG;27;1;"MARTINI bead: SC3_Nd";;;;;;;2.57;;-1.83;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM397974;MM397974;O=c1ncn(O)cc1CF;CMBSLZWWHKGUFZ-UHFFFAOYSA-N;144.11;-0.05;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP3_SNa";;;;;;;-1.1;;-4.2;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM397975;MM397975;CCC1(CCOC)CC1C;NBALXFCJFXCQOP-UHFFFAOYSA-N;142.24;2.46;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC3_Na";;;;;;;2.57;;0.45;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM397976;MM397976;CNc1cn(C)cnc1=N;UNJZTGPGKUOLPL-UHFFFAOYSA-N;138.17;-0.06;;;;;DOPC;MDCG;27;1;"MARTINI bead: SNd_SP2";;;;;;;-0.24;;-5.69;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM397977;MM397977;CCC1(CCOC)CC1N;DIVNORKOJICZJF-UHFFFAOYSA-N;143.23;1.15;;;;;DOPC;MDCG;27;1;"MARTINI bead: SNd_Na";;;;;;;0.87;;-4.2;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM397978;MM397978;CNc1cn(N)cnc1=N;YJRHNZWINBFJFP-UHFFFAOYSA-N;139.16;-0.88;;;;;DOPC;MDCG;27;1;"MARTINI bead: SNd_SP3";;;;;;;-1.1;;-5.46;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM397979;MM397979;CCC1(CCOC)CC1O;XWBUEYVTGUTMQU-UHFFFAOYSA-N;144.21;1.18;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNda_Na";;;;;;;0.87;;-1.99;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM397980;MM397980;C#CC(=O)C(=N)N(C)C=C;DOAHABYWSARYHP-UHFFFAOYSA-N;136.15;0.24;;;;;DOPC;MDCG;27;0;"MARTINI bead: N0_P1";;;;;;;0.34;;-1.53;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM397981;MM397981;CCNCC1(CC)CC1C;MDYGIVFMVRMJHB-UHFFFAOYSA-N;141.26;2.03;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_SC3";;;;;;;2.57;;-1.83;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM397982;MM397982;COCON(C)C(C)=NN;DLCHTRKTPGILNQ-UHFFFAOYSA-N;147.18;-0.25;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_Nd";;;;;;;-0.24;;-3.16;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM397983;MM397983;CCNCC1(CN)CC1C;MLPZVAVWJNTTTH-UHFFFAOYSA-N;142.25;0.58;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_SNd";;;;;;;0.87;;-4.98;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM397984;MM397984;CNc1cn(O)cnc1=O;WOAZVMFKOADZHV-UHFFFAOYSA-N;141.13;-0.48;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNd_SP3";;;;;;;-1.1;;-3.93;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM397985;MM397985;CCNCC1(CO)CC1C;ZUULEHZHKWXDOQ-UHFFFAOYSA-N;143.23;0.61;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_SNda";;;;;;;0.87;;-4.54;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM397986;MM397986;C=C(C#N)CNN=COC;FVAYAZRFBASPNU-UHFFFAOYSA-N;139.16;0.25;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_N0";;;;;;;0.34;;-1.53;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM397987;MM397987;CCNCC1(CC)CC1N;RRYJFZFAVRXMDF-UHFFFAOYSA-N;142.25;0.72;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_SNd";;;;;;;0.87;;-4.95;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM397988;MM397988;COc1cn(C)cnc1=O;ANTZUOBHSWZLMC-UHFFFAOYSA-N;140.14;-0.21;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNa_SP2";;;;;;;-0.24;;-3.24;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM397989;MM397989;CCNCC1(CO)CC1N;JIUUMZBDAKKASD-UHFFFAOYSA-N;144.22;-0.69;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_SP2";;;;;;;-0.24;;-5.5;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM397990;MM397990;COc1cn(N)cnc1=O;LOBBAEPABCITRR-UHFFFAOYSA-N;141.13;-1.03;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNa_SP3";;;;;;;-1.1;;-4.2;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM397991;MM397991;CCOCC1(CC)CC1C;UWDTYFQWQYNNJL-UHFFFAOYSA-N;142.24;2.46;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_SC3";;;;;;;2.57;;0.45;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM397992;MM397992;COc1cn(O)cnc1=O;QUGLLFNRJJTYLZ-UHFFFAOYSA-N;142.11;-0.51;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNa_SP3";;;;;;;-1.1;;-4.2;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM397993;MM397993;COCCC1(OC)CC1C;UOAOIYUMAQIIIN-UHFFFAOYSA-N;144.21;1.45;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_SNa";;;;;;;0.87;;-2.22;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM397994;MM397994;CCc1cn(C)nnc1=N;CEKRMDRZPVEPMN-UHFFFAOYSA-N;138.17;-0.14;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP1_SP2";;;;;;;-1.06;;-3.82;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM397995;MM397995;CCNCC1(OC)CC1N;GQJITNQGRVRLDV-UHFFFAOYSA-N;144.22;-0.29;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_SP1";;;;;;;0.04;;-4.89;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM397996;MM397996;Cn1cc(CN)c(=N)nn1;ZNQSAXMNQSFPFN-UHFFFAOYSA-N;139.16;-1.25;;;;;DOPC;MDCG;27;1;"MARTINI bead: SP2_SP2";;;;;;;-1.34;;-5.76;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM397997;MM397997;CCCNC1(CC)CC1C;XJVQYVUCQSAWGO-UHFFFAOYSA-N;141.26;2.17;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_SC3";;;;;;;2.57;;-1.94;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM397998;MM397998;Cn1cc(CO)c(=N)nn1;SKLNZCZKRGBWJT-UHFFFAOYSA-N;140.15;-1.21;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP2_SP2";;;;;;;-1.34;;-4.31;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM397999;MM397999;Cn1cc(CF)c(=N)nn1;OQALVIIUOFJTSO-UHFFFAOYSA-N;142.14;-0.24;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP1_SP2";;;;;;;-1.06;;-3.82;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM398000;MM398000;CCC1(NCCO)CC1C;NZWIBQRWBWGCKZ-UHFFFAOYSA-N;143.23;0.76;;;;;DOPC;MDCG;27;1;"MARTINI bead: SNd_P1";;;;;;;0.04;;-5.13;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM398001;MM398001;CCc1cn(N)nnc1=N;HIVXFDYKNVDRLX-UHFFFAOYSA-N;139.16;-0.97;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP1_SP2";;;;;;;-1.06;;-3.82;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM398002;MM398002;CCC1(NCCF)CC1C;RHBFVGAKZOBSBI-UHFFFAOYSA-N;145.22;1.73;;;;;DOPC;MDCG;27;1;"MARTINI bead: SNd_C5";;;;;;;1.64;;-1.46;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM398003;MM398003;CCC(F)CC#CC=NN;SMUCIVJARUDHNR-UHFFFAOYSA-N;142.18;1.07;;;;;DOPC;MDCG;27;0;"MARTINI bead: C2_P1";;;;;;;2;;0.29;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM398004;MM398004;CC1CC1(CN)NCCF;SUHYIYYDJOQYNW-UHFFFAOYSA-N;146.21;0.28;;;;;DOPC;MDCG;27;1;"MARTINI bead: SNd_P2";;;;;;;-0.24;;-5.21;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM398005;MM398005;N=c1nnn(N)cc1CF;POSLOSQEMUFHCQ-UHFFFAOYSA-N;143.13;-1.06;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP1_SP2";;;;;;;-1.06;;-3.82;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM398006;MM398006;CCCNC1(CO)CC1C;UAAHXVKPUZYHJZ-UHFFFAOYSA-N;143.23;0.76;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_SNda";;;;;;;0.87;;-4.42;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM398007;MM398007;CCc1cn(O)nnc1=N;DWDHVJLOSVHYGY-UHFFFAOYSA-N;140.15;-0.44;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP1_SP2";;;;;;;-1.06;;-3.82;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM398008;MM398008;CCCOC1(CC)CC1C;MTRCXBBXRHXSSL-UHFFFAOYSA-N;142.24;2.6;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_SC3";;;;;;;2.57;;0.45;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM398009;MM398009;N=c1nnn(O)cc1CN;PHAHTLVSIRWNNT-UHFFFAOYSA-N;141.13;-1.55;;;;;DOPC;MDCG;27;1;"MARTINI bead: SP2_SP2";;;;;;;-1.34;;-5.45;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM398010;MM398010;CCC1(OCCN)CC1C;XXVAXZWZQCCREY-UHFFFAOYSA-N;143.23;1.15;;;;;DOPC;MDCG;27;1;"MARTINI bead: SC3_P3";;;;;;;0.6;;-2.79;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM398011;MM398011;N=c1nnn(O)cc1CO;ZMHYFSCJXSELKA-UHFFFAOYSA-N;142.12;-1.51;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP2_SP2";;;;;;;-1.34;;-4.31;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM398012;MM398012;CCC1(OCCO)CC1C;BNKUWYOQSSCKTH-UHFFFAOYSA-N;144.21;1.18;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC3_P3";;;;;;;0.6;;-0.8;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM398013;MM398013;N=c1nnn(O)cc1CF;AZLVFRPUTBBZSY-UHFFFAOYSA-N;144.11;-0.54;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP1_SP2";;;;;;;-1.06;;-3.82;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM398014;MM398014;CCC1(OCCF)CC1C;IIUXXEQSQSQNRO-UHFFFAOYSA-N;146.21;2.16;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC3_P2";;;;;;;1.46;;-0.15;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM398015;MM398015;CCc1cn(C)nnc1=O;WJMUZSVPEYGABM-UHFFFAOYSA-N;139.16;-0.26;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP1_SP2";;;;;;;-1.06;;-3.82;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM398016;MM398016;CCC1(OCCN)CC1O;IOIAEBCQGGAALJ-UHFFFAOYSA-N;145.2;-0.12;;;;;DOPC;MDCG;27;1;"MARTINI bead: SNda_P3";;;;;;;-1.1;;-5.99;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM398017;MM398017;Cn1cc(CN)c(=O)nn1;KGLRWJDKIPMUJW-UHFFFAOYSA-N;140.15;-1.37;;;;;DOPC;MDCG;27;1;"MARTINI bead: SP2_SP2";;;;;;;-1.34;;-5.89;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM398018;MM398018;CCC1(OCOC)CC1C;XQNFHSQJMAOZBZ-UHFFFAOYSA-N;144.21;1.8;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC3_P2";;;;;;;1.46;;-0.15;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM398019;MM398019;Cn1cc(CO)c(=O)nn1;YMADZIAPAFKODY-UHFFFAOYSA-N;141.13;-1.33;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP2_SP2";;;;;;;-1.34;;-4.31;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM398020;MM398020;CCC1(CCCN)NC1C;CYZYTZWECOCMRM-UHFFFAOYSA-N;142.25;0.87;;;;;DOPC;MDCG;27;1;"MARTINI bead: SNd_Nd";;;;;;;0.87;;-4.92;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM398021;MM398021;Cn1cc(CF)c(=O)nn1;LHECURTVKZPXSL-UHFFFAOYSA-N;143.12;-0.36;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP1_SP2";;;;;;;-1.06;;-3.82;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM398022;MM398022;CC1NC1(CN)CCCO;ALUFDWKKHFSRJL-UHFFFAOYSA-N;144.22;-0.55;;;;;DOPC;MDCG;27;1;"MARTINI bead: SP2_Nda";;;;;;;-0.24;;-5.29;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM398023;MM398023;CCc1cn(N)nnc1=O;QDWYFTIDKWZDTM-UHFFFAOYSA-N;140.15;-1.09;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP1_SP3";;;;;;;-1.93;;-4.72;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM398024;MM398024;CC1NC1(CN)CCCF;JLYDZWBHFPQNNN-UHFFFAOYSA-N;146.21;0.43;;;;;DOPC;MDCG;27;1;"MARTINI bead: SP2_C4";;;;;;;1.09;;-2.32;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM398025;MM398025;COC(=N)N(C=N)C=NN;YLBCPGAZSROIPO-UHFFFAOYSA-N;143.15;-0.62;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_P1";;;;;;;-1.06;;-3.82;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM398026;MM398026;CCNCC1(CC)NC1C;JCVRKELGPIQNNA-UHFFFAOYSA-N;142.25;0.74;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_SNd";;;;;;;0.87;;-4.45;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM398027;MM398027;Nn1cc(CF)c(=O)nn1;MNEDRKYCPQGNED-UHFFFAOYSA-N;144.11;-1.18;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP1_SP3";;;;;;;-1.93;;-4.72;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM398028;MM398028;CCNCC1(CN)NC1C;OQHAGANFDSENGH-UHFFFAOYSA-N;143.23;-0.71;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_SP2";;;;;;;-0.24;;-5.29;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM398029;MM398029;CCc1cn(O)nnc1=O;YPZLUZDIDPNQJX-UHFFFAOYSA-N;141.13;-0.56;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP1_SP3";;;;;;;-1.93;;-4.72;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM398030;MM398030;CCC1(CCCO)OC1C;LKQOIGFNMMMAIT-UHFFFAOYSA-N;144.21;1.33;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNa_Nda";;;;;;;0.87;;-1.99;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM398031;MM398031;NCc1cn(O)nnc1=O;CUEJNMVVQBGXQT-UHFFFAOYSA-N;142.12;-1.67;;;;;DOPC;MDCG;27;1;"MARTINI bead: SP2_SP3";;;;;;;-2.2;;-6.47;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM398032;MM398032;CCC1(CCCF)OC1C;NOHQHWXKVQRINT-UHFFFAOYSA-N;146.21;2.3;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNa_C4";;;;;;;2.2;;0.34;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM398033;MM398033;O=c1nnn(O)cc1CO;NTCUZPGZWQTLAG-UHFFFAOYSA-N;143.1;-1.63;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP2_SP3";;;;;;;-2.2;;-5.19;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM398034;MM398034;CCCCC1(CN)OC1C;NEBPEFVSLQRNTM-UHFFFAOYSA-N;143.23;1.29;;;;;DOPC;MDCG;27;1;"MARTINI bead: C1_SP1";;;;;;;2.08;;-0.46;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM398035;MM398035;O=c1nnn(O)cc1CF;HORWZSCDVBPJKF-UHFFFAOYSA-N;145.09;-0.65;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP1_SP3";;;;;;;-1.93;;-4.72;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM398036;MM398036;CCNCC1(CC)OC1C;VZJMZXLIARISSL-UHFFFAOYSA-N;143.23;1.16;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_SNa";;;;;;;0.87;;-4.34;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM398037;MM398037;CNc1cn(C)nnc1=N;YRPDQPOLNMYRQG-UHFFFAOYSA-N;139.16;-0.66;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP1_SP2";;;;;;;-1.06;;-3.82;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM398038;MM398038;CCNCC1(CN)OC1C;OEMFQCGGAOTVHW-UHFFFAOYSA-N;144.22;-0.29;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_SP1";;;;;;;0.04;;-4.86;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM398039;MM398039;CNc1cn(N)nnc1=N;KRWLHDIOXMTEFD-UHFFFAOYSA-N;140.15;-1.49;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP1_SP2";;;;;;;-1.06;;-3.82;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM398040;MM398040;CCCCC1(CN)CN1C;ZJAUSQCVDFWHJP-UHFFFAOYSA-N;142.25;0.82;;;;;DOPC;MDCG;27;1;"MARTINI bead: C1_SP2";;;;;;;1.8;;-0.88;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM398041;MM398041;C#CC(=N)N(C=N)C=NN;YDLFLMKXKCSUBX-UHFFFAOYSA-N;137.15;-0.59;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_P2";;;;;;;-1.06;;-3.82;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM398042;MM398042;CNCCC1(CN)CN1C;LLYBVLUDOGHQGD-UHFFFAOYSA-N;143.23;-0.76;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_SP2";;;;;;;-0.24;;-5.96;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM398043;MM398043;CNc1cn(C)nnc1=O;AEEYMTGVDPQJCF-UHFFFAOYSA-N;140.15;-0.78;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP1_SP2";;;;;;;-1.06;;-3.82;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM398044;MM398044;CCNCC1(CC)CN1C;DVOUPZVGHQDZPK-UHFFFAOYSA-N;142.25;0.69;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_SNd";;;;;;;0.87;;-4.85;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM398045;MM398045;CNc1cn(N)nnc1=O;OFAVUTULIVLIPH-UHFFFAOYSA-N;141.13;-1.61;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP1_SP3";;;;;;;-1.93;;-4.72;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM398046;MM398046;CCNCC1(CN)CN1C;PEWYJPWCZQQVQT-UHFFFAOYSA-N;143.23;-0.76;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_SP2";;;;;;;-0.24;;-5.3;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM398047;MM398047;CNc1cn(O)nnc1=O;PXXXOGGKUUYJNG-UHFFFAOYSA-N;142.12;-1.08;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP1_SP3";;;;;;;-1.93;;-4.72;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM398048;MM398048;C=CCCC1(CC)CC1C;LQPCITYWRLHOJS-UHFFFAOYSA-N;138.25;3.39;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC3_C3";;;;;;;4.27;;0.2;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM398049;MM398049;CCC1(CCC=O)CC1C;QZVUOZDDJVNPTM-UHFFFAOYSA-N;140.23;2.4;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC3_Na";;;;;;;2.57;;0.45;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM398050;MM398050;COc1cn(C)nnc1=N;CCPWYYPWFOGAQC-UHFFFAOYSA-N;140.15;-0.7;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP2_SP2";;;;;;;-1.34;;-4.31;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM398051;MM398051;C=C(C)C#CC(=NN)NN;XHCSRYHBFCRFIG-UHFFFAOYSA-N;138.17;-0.7;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4_P3";;;;;;;0.23;;-1.03;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM398052;MM398052;COc1cn(N)nnc1=N;SXLBRBCLHQQYLI-UHFFFAOYSA-N;141.13;-1.52;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP2_SP2";;;;;;;-1.34;;-4.31;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM398053;MM398053;CCC1(CNC=N)CC1C;DVYSFJFKBARWBJ-UHFFFAOYSA-N;140.23;1.62;;;;;DOPC;MDCG;27;1;"MARTINI bead: SC3_P3";;;;;;;0.6;;-4.73;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM398054;MM398054;COc1cn(O)nnc1=N;RVJPHLCXONQOPW-UHFFFAOYSA-N;142.12;-1;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP2_SP2";;;;;;;-1.34;;-4.31;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM398055;MM398055;CC1CC1(CN)CNC=O;CTCKHFZLPPXJDI-UHFFFAOYSA-N;142.2;-0.28;;;;;DOPC;MDCG;27;1;"MARTINI bead: SNd_P3";;;;;;;-1.1;;-5.98;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM398056;MM398056;COc1cn(C)nnc1=O;AKZTXWCMBHWGCR-UHFFFAOYSA-N;141.13;-0.82;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP2_SP2";;;;;;;-1.34;;-4.31;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM398057;MM398057;CC1CC1(CO)CNC=N;PKXRSEORLHKDSW-UHFFFAOYSA-N;142.2;0.2;;;;;DOPC;MDCG;27;1;"MARTINI bead: SNda_P3";;;;;;;-1.1;;-7.85;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM398058;MM398058;COc1cn(N)nnc1=O;LDXKGSZRVJYQFV-UHFFFAOYSA-N;142.12;-1.64;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP2_SP3";;;;;;;-2.2;;-5.19;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM398059;MM398059;CCC1(CNC=N)CC1N;ZXAJWUSMDVGNOM-UHFFFAOYSA-N;141.22;0.31;;;;;DOPC;MDCG;27;1;"MARTINI bead: SNd_P3";;;;;;;-1.1;;-7.97;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM398060;MM398060;COc1cn(O)nnc1=O;KZEJTUVAPHYJQG-UHFFFAOYSA-N;143.1;-1.12;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP2_SP3";;;;;;;-2.2;;-5.19;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM398061;MM398061;CCC1(CNC=O)CC1N;JJXVCZGCWCTEFG-UHFFFAOYSA-N;142.2;-0.14;;;;;DOPC;MDCG;27;1;"MARTINI bead: SNd_P3";;;;;;;-1.1;;-5.8;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM398062;MM398062;CCc1nn(C)ncc1=O;PTUHDRWJBRIAKS-UHFFFAOYSA-N;139.16;-0.26;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNa_SP3";;;;;;;-1.1;;-4.2;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM398063;MM398063;N=CNCC1(CN)CC1N;LKEBVYLFDKHTPW-UHFFFAOYSA-N;142.21;-1.14;;;;;DOPC;MDCG;27;1;"MARTINI bead: SP2_P3";;;;;;;-2.2;;-9.07;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM398064;MM398064;Cn1ncc(=O)c(CO)n1;YWLKJTBYVNQXJO-UHFFFAOYSA-N;141.13;-1.33;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP3_SP2";;;;;;;-2.2;;-5.19;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM398065;MM398065;CCC1(CNC=N)CC1O;QACJQHJCXWNFFP-UHFFFAOYSA-N;142.2;0.34;;;;;DOPC;MDCG;27;1;"MARTINI bead: SNda_P3";;;;;;;-1.1;;-7.85;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM398066;MM398066;Cn1ncc(=O)c(CF)n1;KKXGLXUQURTEMW-UHFFFAOYSA-N;143.12;-0.36;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP3_SP1";;;;;;;-1.93;;-4.72;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM398067;MM398067;NCC1(CNC=O)CC1O;ISOIKENUEKUJOX-UHFFFAOYSA-N;144.17;-1.56;;;;;DOPC;MDCG;27;1;"MARTINI bead: SP2_P3";;;;;;;-2.2;;-6.86;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM398068;MM398068;COc1nn(C)ncc1=O;RIYUZHDWAANTEW-UHFFFAOYSA-N;141.13;-0.82;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP1_SP3";;;;;;;-1.93;;-4.72;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM398069;MM398069;O=CNCC1(CO)CC1O;LSZZTDNVTOZGQB-UHFFFAOYSA-N;145.16;-1.52;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP2_P3";;;;;;;-2.2;;-5.19;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM398070;MM398070;CCc1nn(C)cnc1=N;SIWLKCHZDOGOEE-UHFFFAOYSA-N;138.17;-0.14;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_SP3";;;;;;;-0.33;;-2.01;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM398071;MM398071;C=NNCC1(CC)CC1C;RSWUXESJAVJPST-UHFFFAOYSA-N;140.23;1.63;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC3_P2";;;;;;;1.46;;-0.15;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM398072;MM398072;C=CCN(OC)C(C)=NN;XOZXKKNYXVCZTM-UHFFFAOYSA-N;143.19;0.33;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_N0";;;;;;;0.34;;-1.53;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM398073;MM398073;C=NNCC1(CN)CC1C;MHCAQEMOZWOCEB-UHFFFAOYSA-N;141.22;0.18;;;;;DOPC;MDCG;27;1;"MARTINI bead: SNd_P2";;;;;;;-0.24;;-5.31;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM398074;MM398074;CCON(C=N)C(C)=NN;FVDJKCHKTUPTGP-UHFFFAOYSA-N;144.18;0.14;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_Nd";;;;;;;-0.24;;-3.16;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM398075;MM398075;C=NNCC1(CC)CC1N;ZHOVWKWPZYAYPR-UHFFFAOYSA-N;141.22;0.32;;;;;DOPC;MDCG;27;1;"MARTINI bead: SNd_P2";;;;;;;-0.24;;-5.13;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM398076;MM398076;C#CCN(N=C)C(C)=NN;ANIMUWCIUOUNNY-UHFFFAOYSA-N;138.17;-0.17;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_N0";;;;;;;0.34;;-1.53;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM398077;MM398077;C=COCC1(CC)CC1C;BEISCMCPMWRWGM-UHFFFAOYSA-N;140.23;2.58;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC3_Na";;;;;;;2.57;;0.45;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM398078;MM398078;CCc1nn(O)cnc1=O;VNCKPMCUADJIBA-UHFFFAOYSA-N;141.13;-0.56;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP1_SP4";;;;;;;-2.01;;-5.13;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM398079;MM398079;CC1CC1(CN)COC=O;HTWINHZYZULFRK-UHFFFAOYSA-N;143.19;0.14;;;;;DOPC;MDCG;27;1;"MARTINI bead: SNd_P1";;;;;;;0.04;;-5.05;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM398080;MM398080;CCc1nn(C)nnc1=N;MMBSBPGQGFULDA-UHFFFAOYSA-N;139.16;-0.75;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP1_SP2";;;;;;;-1.06;;-3.82;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM398081;MM398081;C=NOCC1(CC)CC1C;VBRBJJFIGHYCKZ-UHFFFAOYSA-N;141.21;2.05;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC3_P1";;;;;;;1.74;;0.29;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM398082;MM398082;Cn1nnc(=N)c(CO)n1;AAOCPWYTEVJLFR-UHFFFAOYSA-N;141.13;-1.82;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP2_SP3";;;;;;;-2.2;;-5.19;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM398083;MM398083;C=NOCC1(CC)CC1N;QKYUISPFBYRRTN-UHFFFAOYSA-N;142.2;0.75;;;;;DOPC;MDCG;27;1;"MARTINI bead: SNd_P1";;;;;;;0.04;;-4.87;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM398084;MM398084;Cn1nnc(=N)c(CF)n1;ZAKWNIFWJIMQRX-UHFFFAOYSA-N;143.13;-0.84;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP2_SP2";;;;;;;-1.34;;-4.31;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM398085;MM398085;CNC1(CCC=O)CC1C;SSOKFRDMXVROOL-UHFFFAOYSA-N;141.21;0.96;;;;;DOPC;MDCG;27;1;"MARTINI bead: SNd_Na";;;;;;;0.87;;-4.63;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM398086;MM398086;CCc1nn(C)nnc1=O;TWZABPCVKZUUKP-UHFFFAOYSA-N;140.15;-0.87;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP1_SP4";;;;;;;-2.01;;-5.13;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM398087;MM398087;CNC1(CCC#N)CC1C;XLZNZTSHOGUJKL-UHFFFAOYSA-N;138.21;1.29;;;;;DOPC;MDCG;27;1;"MARTINI bead: SNd_P1";;;;;;;0.04;;-4.69;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM398088;MM398088;Cn1nnc(=O)c(CO)n1;QBMGNHPYGWNQQQ-UHFFFAOYSA-N;142.12;-1.94;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP4_SP2";;;;;;;-2.29;;-5.95;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM398089;MM398089;CNC1(CNC=O)CC1C;WFXXSDGCWUISFV-UHFFFAOYSA-N;142.2;-0.27;;;;;DOPC;MDCG;27;1;"MARTINI bead: SNd_P3";;;;;;;-1.1;;-5.99;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM398090;MM398090;Cn1nnc(=O)c(CF)n1;GKBCRJXDJPQLAL-UHFFFAOYSA-N;144.11;-0.96;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP2_SP2";;;;;;;-1.34;;-4.31;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM398091;MM398091;C=NNCC1(NC)CC1C;KCJFMSMPNKYWQK-UHFFFAOYSA-N;141.22;0.19;;;;;DOPC;MDCG;27;1;"MARTINI bead: SNd_P2";;;;;;;-0.24;;-4.73;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM398092;MM398092;COc1nn(C)nnc1=N;IOTTUKPANQDCPM-UHFFFAOYSA-N;141.13;-1.3;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP1_SP2";;;;;;;-1.06;;-3.82;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM398093;MM398093;CNC1(COC=O)CC1C;MVEBXACXTODQHG-UHFFFAOYSA-N;143.19;0.16;;;;;DOPC;MDCG;27;1;"MARTINI bead: SNd_P1";;;;;;;0.04;;-4.44;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM398094;MM398094;COc1nn(C)nnc1=O;MFGCOIPUCXXPJR-UHFFFAOYSA-N;142.12;-1.42;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP1_SP4";;;;;;;-2.01;;-5.13;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM398095;MM398095;C=COCC1(NC)CC1N;WQCQMTBFRGYIEH-UHFFFAOYSA-N;142.2;-0.16;;;;;DOPC;MDCG;27;1;"MARTINI bead: SP2_Na";;;;;;;-0.24;;-5.19;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM398096;MM398096;C=Cc1cn(C)ccc1=O;XNQCLKIBNWONBL-UHFFFAOYSA-N;135.17;1.03;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP1_SN0";;;;;;;0.34;;-1.53;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM398097;MM398097;C=NOCC1(NC)CC1C;PQORAKNPBARCAL-UHFFFAOYSA-N;142.2;0.62;;;;;DOPC;MDCG;27;1;"MARTINI bead: SNd_P1";;;;;;;0.04;;-3.93;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM398098;MM398098;Cn1ccc(=O)c(C=O)c1;JAJXDPPRPROQFI-UHFFFAOYSA-N;137.14;0.2;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP1_SNa";;;;;;;0.04;;-2.54;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM398099;MM398099;COC1(COC=O)CC1C;OONYBGLANRXEJF-UHFFFAOYSA-N;144.17;0.58;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNa_P1";;;;;;;0.04;;-2.54;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM398100;MM398100;Cn1ccc(=O)c(C#N)c1;VVNHMAOQCMDJHT-UHFFFAOYSA-N;134.14;0.26;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP1_SN0";;;;;;;0.34;;-1.53;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM398101;MM398101;C=CCNC1(CC)CC1C;OUUGYAFKRGSFFT-UHFFFAOYSA-N;139.24;1.95;;;;;DOPC;MDCG;27;1;"MARTINI bead: SC3_P1";;;;;;;1.74;;-1.75;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM398102;MM398102;C=Cc1cn(N)ccc1=O;KAAAGIBBDKHIMC-UHFFFAOYSA-N;136.15;0.21;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP2_SN0";;;;;;;0.06;;-2.21;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM398103;MM398103;CCC1(NCC=O)CC1C;LAMMHNMJPIWELQ-UHFFFAOYSA-N;141.21;0.96;;;;;DOPC;MDCG;27;1;"MARTINI bead: SC3_P5";;;;;;;0.59;;-3.28;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM398104;MM398104;C=Cc1cn(O)ccc1=O;MYSYECYZYGQTJK-UHFFFAOYSA-N;137.14;0.73;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP2_SN0";;;;;;;0.06;;-2.21;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM398105;MM398105;CCC1(NNC=N)CC1C;CUOANHPUDGJQQA-UHFFFAOYSA-N;141.22;0.88;;;;;DOPC;MDCG;27;1;"MARTINI bead: SC3_P4";;;;;;;0.52;;-4.32;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM398106;MM398106;O=Cc1cn(O)ccc1=O;CPYIDBOTSJGJGP-UHFFFAOYSA-N;139.11;-0.1;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP2_SNa";;;;;;;-0.24;;-3.24;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM398107;MM398107;C#CC(=NN)NC=C(F)F;NMPAHAVWCKFENV-UHFFFAOYSA-N;145.11;0.22;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_C4";;;;;;;1.09;;-0.38;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM398108;MM398108;N#Cc1cn(O)ccc1=O;YMIRQJAHDJCOPQ-UHFFFAOYSA-N;136.11;-0.04;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP2_SN0";;;;;;;0.06;;-2.21;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM398109;MM398109;CC1CC1(CN)NNC=N;QQNRZFDJEOBMFS-UHFFFAOYSA-N;142.21;-0.58;;;;;DOPC;MDCG;27;1;"MARTINI bead: SNd_P4";;;;;;;-1.19;;-7.64;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM398110;MM398110;C=Cc1cn(C)cnc1=N;SCYMAYIQXNMNDU-UHFFFAOYSA-N;135.17;0.54;;;;;DOPC;MDCG;27;1;"MARTINI bead: SP2_SP1";;;;;;;-1.06;;-5.99;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM398111;MM398111;CCC(=O)CC1(C=O)CN1;RCBKDRSLFYGARA-UHFFFAOYSA-N;141.17;-0.1;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_SP2";;;;;;;-0.24;;-3.24;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM398112;MM398112;Cn1cnc(=N)c(C=O)c1;JDAPQMHXLGHXQB-UHFFFAOYSA-N;137.14;-0.29;;;;;DOPC;MDCG;27;1;"MARTINI bead: SP2_SP1";;;;;;;-1.06;;-4.91;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM398113;MM398113;C=CCOC1(CC)CC1C;LWTWCEQGKUJJDS-UHFFFAOYSA-N;140.23;2.38;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC3_Na";;;;;;;2.57;;0.45;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM398114;MM398114;C=Cc1cn(N)cnc1=N;LYPZTPRNBPRDMV-UHFFFAOYSA-N;136.16;-0.28;;;;;DOPC;MDCG;27;1;"MARTINI bead: SP3_SP1";;;;;;;-1.93;;-5.85;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM398115;MM398115;CCC1(ONC=N)CC1C;GOTSZXDLGZVCIM-UHFFFAOYSA-N;142.2;1.3;;;;;DOPC;MDCG;27;1;"MARTINI bead: SC3_P4";;;;;;;0.52;;-3.26;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM398116;MM398116;CN=C(C)N(C=N)C=NN;UQEYJKVQRQECIN-UHFFFAOYSA-N;141.18;-0.15;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_P1";;;;;;;-0.79;;-3.13;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM398117;MM398117;CC1CC1(CN)ONC=O;GNLZQRRBXDPXHM-UHFFFAOYSA-N;144.17;-0.6;;;;;DOPC;MDCG;27;1;"MARTINI bead: SNd_P4";;;;;;;-1.19;;-6.99;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM398118;MM398118;C=CCC(=NN)N(C)OC;FNGMSOJPRNHEJC-UHFFFAOYSA-N;143.19;0.33;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_N0";;;;;;;0.34;;-1.53;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM398119;MM398119;C=CCCC1(CN)NC1C;ZQFACTHHHJUKTF-UHFFFAOYSA-N;140.23;0.64;;;;;DOPC;MDCG;27;1;"MARTINI bead: SP2_C3";;;;;;;1.46;;-2.01;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM398120;MM398120;C=Cc1cn(C)cnc1=O;JOOGNKZCMKXQAX-UHFFFAOYSA-N;136.15;0.42;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP2_SP1";;;;;;;-1.06;;-3.82;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM398121;MM398121;C=NNCC1(CN)NC1C;SSMFZXJGXAHBBL-UHFFFAOYSA-N;142.21;-1.12;;;;;DOPC;MDCG;27;1;"MARTINI bead: SP2_P2";;;;;;;-1.34;;-5.95;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM398122;MM398122;Cn1cnc(=O)c(C=O)c1;WBYZLRUWHCQNRK-UHFFFAOYSA-N;138.13;-0.41;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP2_SP1";;;;;;;-1.06;;-3.82;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM398123;MM398123;CCC1(CNC=N)CN1C;SICXDIKCRYIQGZ-UHFFFAOYSA-N;141.22;0.28;;;;;DOPC;MDCG;27;1;"MARTINI bead: SNd_P3";;;;;;;-1.1;;-7.79;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM398124;MM398124;Cn1cnc(=O)c(C#N)c1;NOSLLXMTHWULMN-UHFFFAOYSA-N;135.13;-0.35;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP2_SP1";;;;;;;-1.06;;-3.82;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM398125;MM398125;C=NNCC1(CN)CN1C;AIHGEAIIMQODHD-UHFFFAOYSA-N;142.21;-1.17;;;;;DOPC;MDCG;27;1;"MARTINI bead: SP2_P2";;;;;;;-1.34;;-5.95;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM398126;MM398126;C=Cc1cn(N)cnc1=O;NYHIQHAWZHXJDF-UHFFFAOYSA-N;137.14;-0.4;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP3_SP1";;;;;;;-1.93;;-4.72;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM398127;MM398127;CN1CC1(CN)COC=O;JZLIYDCUJQLOQF-UHFFFAOYSA-N;144.17;-1.2;;;;;DOPC;MDCG;27;1;"MARTINI bead: SP2_P1";;;;;;;-1.06;;-5.73;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM398128;MM398128;C=Cc1cn(O)cnc1=O;NRQWCWNTSAXHKP-UHFFFAOYSA-N;138.13;0.12;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP3_SP1";;;;;;;-1.93;;-4.72;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM398129;MM398129;O=Cc1cn(O)cnc1=O;KLVFDLCMSWQGLF-UHFFFAOYSA-N;140.1;-0.71;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP3_SP1";;;;;;;-1.93;;-4.72;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM398130;MM398130;C=NOCC1(CN)CN1C;RROFJDODIQOQCV-UHFFFAOYSA-N;143.19;-0.74;;;;;DOPC;MDCG;27;1;"MARTINI bead: SP2_P1";;;;;;;-1.06;;-5.73;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM398131;MM398131;N#Cc1cn(O)cnc1=O;FLZYMSSLXGPAFV-UHFFFAOYSA-N;137.1;-0.65;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP3_SP1";;;;;;;-1.93;;-4.72;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM398132;MM398132;C=CC1(CCCC)CC1C;PTNVBHITSHSXKM-UHFFFAOYSA-N;138.25;3.39;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1_SC4";;;;;;;4.24;;0.42;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM398133;MM398133;C=Cc1cn(C)nnc1=N;ZOURBQFPJWRFQD-UHFFFAOYSA-N;136.16;-0.06;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP1_SP2";;;;;;;-1.06;;-3.82;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM398134;MM398134;C=CC1(CCCN)CC1C;BAZARNAMSDEQAB-UHFFFAOYSA-N;139.24;1.94;;;;;DOPC;MDCG;27;1;"MARTINI bead: SC4_Nd";;;;;;;2.2;;-2.21;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM398135;MM398135;Cn1cc(C=O)c(=N)nn1;HBFIGYGXJUXZDW-UHFFFAOYSA-N;138.13;-0.89;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP2_SP2";;;;;;;-1.34;;-4.31;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM398136;MM398136;C=CC1(CCCO)CC1C;XRMDBOSMWLZSNM-UHFFFAOYSA-N;140.23;1.97;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC4_Nda";;;;;;;2.2;;0.49;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM398137;MM398137;Cn1cc(C#N)c(=N)nn1;UYENLTKRIBZBCI-UHFFFAOYSA-N;135.13;-0.83;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP2_SP2";;;;;;;-1.34;;-4.31;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM398138;MM398138;C=CC1(CCCF)CC1C;MKWNNQXMSUYYCQ-UHFFFAOYSA-N;142.22;2.95;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC4_C4";;;;;;;3.53;;0.53;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM398139;MM398139;C=Cc1cn(N)nnc1=N;GRCQMEYEWUDQQR-UHFFFAOYSA-N;137.15;-0.89;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP1_SP2";;;;;;;-1.06;;-3.82;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM398140;MM398140;N#CC1(CCCF)CC1O;HFTTZLORHNKOLW-UHFFFAOYSA-N;143.16;1.01;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP2_C4";;;;;;;1.09;;-0.38;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM398141;MM398141;C=Cc1cn(O)nnc1=N;HGZODKHLUKSFLZ-UHFFFAOYSA-N;138.13;-0.36;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP1_SP2";;;;;;;-1.06;;-3.82;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM398142;MM398142;COCCC1(C#N)CC1C;YROBDPZJCHTDAQ-UHFFFAOYSA-N;139.2;1.57;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_SN0";;;;;;;1.17;;-1.18;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM398143;MM398143;N=c1nnn(O)cc1C=O;DNYTVQZBAPGILX-UHFFFAOYSA-N;140.1;-1.19;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP2_SP2";;;;;;;-1.34;;-4.31;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM398144;MM398144;COCCC1(C#N)CC1O;AEETYZVZRMBUAL-UHFFFAOYSA-N;141.17;0.3;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_SP2";;;;;;;-0.24;;-3.24;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM398145;MM398145;N#Cc1cn(O)nnc1=N;PIUMRUMAWKVLNJ-UHFFFAOYSA-N;137.1;-1.13;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP2_SP2";;;;;;;-1.34;;-4.31;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM398146;MM398146;C=CC1(CNCC)CC1N;GWICTXBSPBOUOS-UHFFFAOYSA-N;140.23;0.5;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_SNd";;;;;;;0.87;;-4.86;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM398147;MM398147;C=Cc1cn(C)nnc1=O;LADVAIWHKGUNPU-UHFFFAOYSA-N;137.14;-0.18;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP1_SP2";;;;;;;-1.06;;-3.82;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM398148;MM398148;C=CC1(COCC)CC1C;DIHPOMZNJBFGIK-UHFFFAOYSA-N;140.23;2.24;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_SC4";;;;;;;2.2;;0.34;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM398149;MM398149;Cn1cc(C=O)c(=O)nn1;DCVYUIAKANIOKG-UHFFFAOYSA-N;139.11;-1.01;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP2_SP2";;;;;;;-1.34;;-4.31;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM398150;MM398150;CCOCC1(C#N)CC1C;VYZRDHYNPLTCEN-UHFFFAOYSA-N;139.2;1.57;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_SN0";;;;;;;1.17;;-1.18;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM398151;MM398151;Cn1cc(C#N)c(=O)nn1;MBQFOEKUPFSOOI-UHFFFAOYSA-N;136.11;-0.95;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP2_SP2";;;;;;;-1.34;;-4.31;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM398152;MM398152;C=CC1(COCC)CC1N;IMBRHLJOANENAV-UHFFFAOYSA-N;141.21;0.93;;;;;DOPC;MDCG;27;1;"MARTINI bead: Na_SNd";;;;;;;0.87;;-4.08;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM398153;MM398153;C=Cc1cn(N)nnc1=O;FMQKTTNCLOHLGZ-UHFFFAOYSA-N;138.13;-1;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP1_SP3";;;;;;;-1.93;;-4.72;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM398154;MM398154;C=CC1(NCCC)CC1C;MROLDMMEUYDWKH-UHFFFAOYSA-N;139.24;1.95;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_SC4";;;;;;;2.2;;-1.86;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM398155;MM398155;C=Cc1cn(O)nnc1=O;MGHQGFLFOPRNER-UHFFFAOYSA-N;139.11;-0.48;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP1_SP3";;;;;;;-1.93;;-4.72;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM398156;MM398156;C=CC1(NCCN)CC1C;FMOUZADEFGZBPR-UHFFFAOYSA-N;140.23;0.5;;;;;DOPC;MDCG;27;1;"MARTINI bead: SC4_P4";;;;;;;0.15;;-4.29;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM398157;MM398157;O=Cc1cn(O)nnc1=O;CKNAKWNAALNLNT-UHFFFAOYSA-N;141.09;-1.31;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP2_SP3";;;;;;;-2.2;;-5.19;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM398158;MM398158;CCCNC1(C#N)CC1C;RBJRYKLFSDYWKW-UHFFFAOYSA-N;138.21;1.29;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nd_SN0";;;;;;;1.17;;-1.04;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM398159;MM398159;N#Cc1cn(O)nnc1=O;HBTOHSVMXDZNLT-UHFFFAOYSA-N;138.09;-1.25;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP2_SP3";;;;;;;-2.2;;-5.19;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM398160;MM398160;C=CC1(OCCC)CC1C;XHNWXIUTMKREFU-UHFFFAOYSA-N;140.23;2.38;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_SC4";;;;;;;2.2;;0.34;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM398161;MM398161;C=Cc1nn(C)ncc1=O;PZHXRUKKFIRYKJ-UHFFFAOYSA-N;137.14;-0.18;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP3_SP1";;;;;;;-1.93;;-4.72;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM398162;MM398162;C=CC1(OCCO)CC1C;QKCWADODNBHCKL-UHFFFAOYSA-N;142.2;0.96;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC4_P3";;;;;;;0.23;;-1.03;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM398163;MM398163;Cn1ncc(=O)c(C=O)n1;MKROZQBAMQBAFM-UHFFFAOYSA-N;139.11;-1.01;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP3_SP1";;;;;;;-1.93;;-4.72;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM398164;MM398164;C=C(CC)C(=C)C(O)CC;GWBGLRZROXECIG-UHFFFAOYSA-N;140.23;2.28;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda_C1";;;;;;;2.91;;0.57;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM398165;MM398165;Cn1ncc(=O)c(C#N)n1;SYHLPMQCOYKJMO-UHFFFAOYSA-N;136.11;-0.95;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP3_SP1";;;;;;;-1.93;;-4.72;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM398166;MM398166;C=CC1(CNCC)NC1C;JGWDQHYGTUEGSK-UHFFFAOYSA-N;140.23;0.51;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_SP1";;;;;;;0.04;;-4.86;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM398167;MM398167;C=Cc1nn(N)cnc1=N;VTDXKDQEZUHCGD-UHFFFAOYSA-N;137.15;-0.89;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP3_SP1";;;;;;;-1.93;;-4.72;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM398168;MM398168;C=CC1(CCOC)OC1C;HWYBIEFRWBSLGB-UHFFFAOYSA-N;142.2;1.37;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_SNa";;;;;;;0.87;;-2.22;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM398169;MM398169;C=CN(N)C(C=CF)=NN;WHCBEJUANFPILF-UHFFFAOYSA-N;144.15;0.06;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_P2";;;;;;;0.54;;-1.09;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM398170;MM398170;C=CC1(CCNC)CN1C;DURABSCIEXAHPW-UHFFFAOYSA-N;140.23;0.47;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1_SNd";;;;;;;0.04;;-5.41;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM398171;MM398171;C=NN(C)C(C=CF)=NN;WLLBGMIMMPUOHW-UHFFFAOYSA-N;144.15;0.29;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_C5";;;;;;;0.54;;-1.09;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM398172;MM398172;C=CC1(CNCC)CN1C;VCIWHASOVDUKKW-UHFFFAOYSA-N;140.23;0.47;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_SNd";;;;;;;0.87;;-4.76;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM398173;MM398173;C=Cc1nn(O)cnc1=O;LQSJSCZKKJRXAN-UHFFFAOYSA-N;139.11;-0.48;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP4_SP1";;;;;;;-2.01;;-5.13;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM398174;MM398174;C=CC1(COCC)CN1C;GJNARCGGWOHVOY-UHFFFAOYSA-N;141.21;0.89;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_SNd";;;;;;;0.87;;-1.88;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM398175;MM398175;O=Cc1nn(O)cnc1=O;GTVAZPMTVVEFAB-UHFFFAOYSA-N;141.09;-1.31;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP4_SP2";;;;;;;-2.29;;-5.95;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM398176;MM398176;C=CCCC1(C=C)CC1N;RXSDXFGZKGLRJL-UHFFFAOYSA-N;137.23;1.86;;;;;DOPC;MDCG;27;1;"MARTINI bead: SNd_C3";;;;;;;2.57;;-0.99;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM398177;MM398177;C=Cc1nn(C)nnc1=N;RXACITSRGIWISX-UHFFFAOYSA-N;137.15;-0.67;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP2_SP1";;;;;;;-1.06;;-3.82;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM398178;MM398178;N#CCCC1(C#N)CC1O;IKMOKMPOQZXURN-UHFFFAOYSA-N;136.15;0.56;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP2_P1";;;;;;;-1.06;;-3.82;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM398179;MM398179;Cn1nnc(=N)c(C=O)n1;JWAFFVLBFITJJZ-UHFFFAOYSA-N;139.12;-1.5;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP2_SP3";;;;;;;-2.2;;-5.19;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM398180;MM398180;CON=CNOC(C)C=O;LSTRHSQJZWMTAI-UHFFFAOYSA-N;146.15;-0.32;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_P2";;;;;;;-1.06;;-3.82;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM398181;MM398181;Cn1nnc(=N)c(C#N)n1;QXRDVJJFLLOKFM-UHFFFAOYSA-N;136.12;-1.44;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP2_SP3";;;;;;;-2.2;;-5.19;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM398182;MM398182;C=COCC1(C=C)CC1C;JXLYCQKOYACQSI-UHFFFAOYSA-N;138.21;2.36;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC4_Na";;;;;;;2.2;;0.34;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM398183;MM398183;C=Cc1nn(C)nnc1=O;OBGCDUIEBVXBFL-UHFFFAOYSA-N;138.13;-0.79;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP4_SP1";;;;;;;-2.01;;-5.13;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM398184;MM398184;CC1CC1(C#N)COC=O;QZPDYJWQCHWXHS-UHFFFAOYSA-N;139.15;0.71;;;;;DOPC;MDCG;27;0;"MARTINI bead: SN0_P1";;;;;;;0.34;;-1.53;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM398185;MM398185;Cn1nnc(=O)c(C=O)n1;FYYPHBCECHNRMM-UHFFFAOYSA-N;140.1;-1.62;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP4_SP2";;;;;;;-2.29;;-5.95;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM398186;MM398186;C=CC1(NCC#N)CC1C;VEVDNZXKLUSLQJ-UHFFFAOYSA-N;136.2;1.06;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC4_P3";;;;;;;0.23;;-1.03;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM398187;MM398187;Cn1nnc(=O)c(C#N)n1;ZWAXFIKBXPFKCX-UHFFFAOYSA-N;137.1;-1.56;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP4_SP2";;;;;;;-2.29;;-5.95;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM398188;MM398188;CC1CC1(C#N)NNC=N;UCWYCTBEENSXJR-UHFFFAOYSA-N;138.17;-0.01;;;;;DOPC;MDCG;27;1;"MARTINI bead: SN0_P4";;;;;;;-0.88;;-6.44;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM398189;MM398189;C#Cc1cn(N)ccc1=O;ZFZFJWBHGCMEQL-UHFFFAOYSA-N;134.14;-0.46;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP2_SN0";;;;;;;0.06;;-2.21;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM398190;MM398190;CC1CC1(C#N)NNC=O;PRZVMLIMMJJELX-UHFFFAOYSA-N;139.16;-0.46;;;;;DOPC;MDCG;27;0;"MARTINI bead: SN0_P4";;;;;;;-0.88;;-3.74;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM398191;MM398191;C#Cc1cn(O)ccc1=O;URSGHTXUTUTNJD-UHFFFAOYSA-N;135.12;0.07;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP2_SN0";;;;;;;0.06;;-2.21;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM398192;MM398192;C=CC1(OCC=O)CC1C;APFSWCYBWUQEFD-UHFFFAOYSA-N;140.18;1.17;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNa_Na";;;;;;;0.87;;-2.22;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM398193;MM398193;C#Cc1cn(C)cnc1=N;GCJRIKITIZGJKP-UHFFFAOYSA-N;133.15;-0.12;;;;;DOPC;MDCG;27;1;"MARTINI bead: SP2_SP1";;;;;;;-1.06;;-5.23;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM398194;MM398194;C=CC1(CCC#N)NC1C;VBJIOXDMCMGPDW-UHFFFAOYSA-N;136.2;1.21;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP1_P1";;;;;;;-0.79;;-3.13;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM398195;MM398195;C#CCN(C=O)NC=NN;MLMMEIDOUQOQAH-UHFFFAOYSA-N;140.15;-1.52;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_P2";;;;;;;-1.06;;-3.82;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM398196;MM398196;C#CCCC1(C=C)CC1C;SODOJUGMOSHEKS-UHFFFAOYSA-N;134.22;2.61;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC4_C5";;;;;;;2.97;;0.45;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM398197;MM398197;C#Cc1cn(C)cnc1=O;WGNIFBXJGBTSOY-UHFFFAOYSA-N;134.14;-0.24;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP2_SP1";;;;;;;-1.06;;-3.82;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM398198;MM398198;C#CCNC1(C=C)CC1C;ZHGXPLFXCRAIMV-UHFFFAOYSA-N;135.21;1.17;;;;;DOPC;MDCG;27;1;"MARTINI bead: SC4_P2";;;;;;;1.09;;-1.42;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM398199;MM398199;C#Cc1cn(N)cnc1=O;VAEVAHGYAGICRR-UHFFFAOYSA-N;135.13;-1.06;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP3_SP1";;;;;;;-1.93;;-4.72;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM398200;MM398200;C#CC1(CCCC)CC1C;DOUYKZHSJBKNRX-UHFFFAOYSA-N;136.24;2.84;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1_SC5";;;;;;;3.68;;0.46;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM398201;MM398201;C#Cc1cn(O)cnc1=O;GCGOJQCEGFJNHE-UHFFFAOYSA-N;136.11;-0.54;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP3_SP1";;;;;;;-1.93;;-4.72;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM398202;MM398202;C#CC1(CCCN)CC1C;RYTAUDAUOUSVDX-UHFFFAOYSA-N;137.23;1.38;;;;;DOPC;MDCG;27;1;"MARTINI bead: SC5_Nd";;;;;;;1.64;;-2.69;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM398203;MM398203;C#Cc1cn(C)nnc1=N;SKMUPSAEVUSABY-UHFFFAOYSA-N;134.14;-0.72;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP2_SP2";;;;;;;-1.34;;-4.31;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM398204;MM398204;C#CC1(CCCO)CC1C;PYBJSYQENSDBNV-UHFFFAOYSA-N;138.21;1.42;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC5_Nda";;;;;;;1.64;;0.05;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM398205;MM398205;C#Cc1cn(N)nnc1=N;JMNGXOWTVYYILU-UHFFFAOYSA-N;135.13;-1.55;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP2_SP2";;;;;;;-1.34;;-4.31;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM398206;MM398206;C#CC1(CCCF)CC1N;LVAPGWDILFIXEE-UHFFFAOYSA-N;141.19;1.09;;;;;DOPC;MDCG;27;1;"MARTINI bead: SP1_C4";;;;;;;1.37;;-2.23;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM398207;MM398207;C#Cc1cn(O)nnc1=N;CRKMMUYWTUOVGS-UHFFFAOYSA-N;136.11;-1.02;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP2_SP2";;;;;;;-1.34;;-4.31;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM398208;MM398208;C#CC1(CCNC)CC1C;AHQSIHQJDUVURL-UHFFFAOYSA-N;137.23;1.26;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1_SC4";;;;;;;1.37;;-3.01;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM398209;MM398209;C#Cc1cn(C)nnc1=O;AVJLKQXLOVHXDC-UHFFFAOYSA-N;135.13;-0.84;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP2_SP2";;;;;;;-1.34;;-4.31;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM398210;MM398210;C#CC1(CCNC)CC1N;OYHWLVDQKOBJRW-UHFFFAOYSA-N;138.21;-0.05;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_SP1";;;;;;;0.04;;-5.77;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM398211;MM398211;C#Cc1cn(N)nnc1=O;FZZASDMRATWEFI-UHFFFAOYSA-N;136.11;-1.67;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP2_SP3";;;;;;;-2.2;;-5.19;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM398212;MM398212;C#CC1(CCOC)CC1C;PJBOBYJNTGAAFT-UHFFFAOYSA-N;138.21;1.68;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_SC5";;;;;;;1.64;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM398213;MM398213;C#Cc1cn(O)nnc1=O;XRPJIBQHVKFOLO-UHFFFAOYSA-N;137.1;-1.14;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP2_SP3";;;;;;;-2.2;;-5.19;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM398214;MM398214;C#CC1(CCOC)CC1N;SKGMLRXDAGWZGK-UHFFFAOYSA-N;139.2;0.37;;;;;DOPC;MDCG;27;1;"MARTINI bead: Na_SP1";;;;;;;0.04;;-4.82;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM398215;MM398215;C#Cc1nn(C)nnc1=N;XYDCUUOSOJAOHC-UHFFFAOYSA-N;135.13;-1.33;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP2_SP2";;;;;;;-1.34;;-4.31;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM398216;MM398216;C#CC1(CCOC)CC1O;CUASTBFRKOBTGQ-UHFFFAOYSA-N;140.18;0.41;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_SP1";;;;;;;0.04;;-2.54;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM398217;MM398217;C#Cc1nn(C)nnc1=O;CKLYIIOGQYIICN-UHFFFAOYSA-N;136.11;-1.45;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP4_SP2";;;;;;;-2.29;;-5.95;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM398218;MM398218;C#CC1(CNCC)CC1C;OTLXVPYLQQYZCF-UHFFFAOYSA-N;137.23;1.26;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_SC5";;;;;;;1.64;;-2.74;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM398219;MM398219;C=c1ccc(=C)c(CC)c1;WAIDEZYEZFSITA-UHFFFAOYSA-N;132.21;1.07;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC3_SC3";;;;;;;4.27;;0.2;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM398220;MM398220;C#CC1(CNCC)CC1N;IGXVOAJCDLZITJ-UHFFFAOYSA-N;138.21;-0.05;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_SP1";;;;;;;0.04;;-5.21;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM398221;MM398221;C=c1ccc(=C)c(CN)c1;LOVMTIGKNJNMDI-UHFFFAOYSA-N;133.19;-0.03;;;;;DOPC;MDCG;27;1;"MARTINI bead: SNd_SC3";;;;;;;2.57;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM398222;MM398222;C#CC1(COCC)CC1C;VIFONXJRLRPVLU-UHFFFAOYSA-N;138.21;1.68;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_SC5";;;;;;;1.64;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM398223;MM398223;CNN(C=COC)C=NN;ROQXSARIIGBBEW-UHFFFAOYSA-N;144.18;-0.56;;;;;DOPC;MDCG;27;0;"MARTINI bead: P4_Na";;;;;;;-1.19;;-4.76;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM398224;MM398224;C#CC1(NCCC)CC1C;BOHRHEOFIFDMFY-UHFFFAOYSA-N;137.23;1.4;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_SC5";;;;;;;1.64;;-1.8;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM398225;MM398225;C=c1ccc(=C)c(CF)c1;GGWAIKXUVPFTBI-UHFFFAOYSA-N;136.17;0.98;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC4_SC3";;;;;;;3.9;;0.47;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM398226;MM398226;C#CC1(OCCC)CC1C;XXVYYDCXJMXQKX-UHFFFAOYSA-N;138.21;1.82;;;;;DOPC;MDCG;27;0;"MARTINI bead: C3_SNa";;;;;;;2.57;;0.45;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM398227;MM398227;C=c1ccc(=C)c(OC)c1;HHRFXZKZXUCYQB-UHFFFAOYSA-N;134.18;0.52;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC5_SC3";;;;;;;3.34;;0.48;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM398228;MM398228;C#CC1(CCCF)NC1C;YSVUGCRTVZDVIU-UHFFFAOYSA-N;141.19;1.1;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP2_C4";;;;;;;1.09;;-0.37;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM398229;MM398229;C=Cc1cc(=C)ccc1=C;WJAQJYHIJZHCGQ-UHFFFAOYSA-N;130.19;1.15;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC4_SC3";;;;;;;3.9;;0.47;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM398230;MM398230;C#CC1(CNCC)NC1C;JPRQHLUGCQKDCO-UHFFFAOYSA-N;138.21;-0.04;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_SP2";;;;;;;-0.24;;-4.91;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM398231;MM398231;C=c1ccc(=C)c(C=O)c1;RCHZLRFRVJHLMI-UHFFFAOYSA-N;132.16;0.32;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC3_SC5";;;;;;;3.34;;0.48;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM398232;MM398232;C#CC1(CNCC)OC1C;BPOMYVDFXCWNAK-UHFFFAOYSA-N;139.2;0.39;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_SNa";;;;;;;0.87;;-3.72;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM398233;MM398233;C=c1ccc(=C)c(C#N)c1;SATVGZIFRMOJIJ-UHFFFAOYSA-N;129.16;0.38;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC3_SC5";;;;;;;3.34;;0.48;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM398234;MM398234;C#CC1(CCOC)CN1C;OZBPMPVYEWSVCK-UHFFFAOYSA-N;139.2;0.34;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_SP1";;;;;;;0.04;;-2.54;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM398235;MM398235;C#Cc1cc(=C)ccc1=C;DUIQFZPQSSTDSY-UHFFFAOYSA-N;128.17;0.49;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC3_SC4";;;;;;;3.9;;0.47;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM398236;MM398236;C#CC1(CCC=C)CC1C;LYNSWMFOUIJRME-UHFFFAOYSA-N;134.22;2.61;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC5_C3";;;;;;;3.34;;0.48;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM398237;MM398237;CNc1cc(N)coc1=O;DQFMTTOCZFDVTE-UHFFFAOYSA-N;140.14;0.26;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_SP2";;;;;;;-1.34;;-4.31;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM398238;MM398238;C#CC1(CCC#N)CC1C;LWGZHUHCZYQXPE-UHFFFAOYSA-N;133.19;1.95;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC5_P1";;;;;;;0.81;;-0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM398239;MM398239;CCN=CN(C=N)C=NN;RBYUIHZUBZWVJX-UHFFFAOYSA-N;141.18;-0.15;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_P4";;;;;;;-0.41;;-2.77;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM398240;MM398240;C#CC1(CNC=N)CC1C;AEVRMEYYVUVAED-UHFFFAOYSA-N;136.2;0.84;;;;;DOPC;MDCG;27;1;"MARTINI bead: SC5_P3";;;;;;;-0.33;;-5.86;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM398241;MM398241;Nc1c[nH]c(=O)c(CF)n1;AEQLKYTXUCPHJK-UHFFFAOYSA-N;143.12;-0.18;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP1_SP2";;;;;;;-1.06;;-3.82;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM398242;MM398242;C=C(C=O)NC=NNCC;FQMJKLXGVQCIMD-UHFFFAOYSA-N;141.17;-0.16;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_Na";;;;;;;0.04;;-2.54;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM398243;MM398243;CNc1nc(O)c[nH]c1=O;VTEVUXQEWMVUFA-UHFFFAOYSA-N;141.13;-0.48;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_SP3";;;;;;;-2.2;;-5.19;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM398244;MM398244;C#CC1(CNC=O)CC1N;ABGFPVBKQNHRAT-UHFFFAOYSA-N;138.17;-0.92;;;;;DOPC;MDCG;27;1;"MARTINI bead: SP1_P3";;;;;;;-1.93;;-6.56;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM398245;MM398245;Nc1n[nH]c(=O)c(CF)n1;LYCLHZGNSZLGEQ-UHFFFAOYSA-N;144.11;-0.78;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP2_SP3";;;;;;;-2.2;;-5.19;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM398246;MM398246;C#CC1(CNC=O)CC1F;CDTHFUIGPHPGII-UHFFFAOYSA-N;141.15;0.09;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNa_P3";;;;;;;-1.1;;-4.2;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM398247;MM398247;C=Cc1cc(N)coc1=O;AALKYYNBVUJKEF-UHFFFAOYSA-N;137.14;0.87;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP2_N0";;;;;;;0.06;;-2.21;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM398248;MM398248;C#CC1(CNN=C)CC1C;PJVFDPCBBYDNOE-UHFFFAOYSA-N;136.2;0.85;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC5_P2";;;;;;;0.54;;-1.09;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM398249;MM398249;C#Cc1cc(C)coc1=O;SLKHZNJHJLQHKT-UHFFFAOYSA-N;134.13;0.93;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNa_P1";;;;;;;0.04;;-2.54;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM398250;MM398250;C#CC1(COC=C)CC1C;PVZLADSFPXDBMM-UHFFFAOYSA-N;136.19;1.81;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC5_Na";;;;;;;1.64;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM398251;MM398251;CCc1nc(=N)onc1C;LMWXSXQWRXILPX-UHFFFAOYSA-N;139.16;0.42;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP1_SP2";;;;;;;-1.06;;-3.82;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM398252;MM398252;C#CC1(COC=O)CC1C;DCTUUMUMOWYPST-UHFFFAOYSA-N;138.17;0.82;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC5_P1";;;;;;;0.81;;-0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM398253;MM398253;CON=CN(C=N)C=NN;KEJVPUPYIDBZLJ-UHFFFAOYSA-N;143.15;-0.61;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_P1";;;;;;;-1.06;;-3.82;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM398254;MM398254;C#CC1(NCC#N)CC1C;AHJVKIARBNBFPU-UHFFFAOYSA-N;134.18;0.51;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC5_P3";;;;;;;-0.33;;-2.01;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM398255;MM398255;Cc1noc(=N)nc1CF;JTPMZSOXQSHZPU-UHFFFAOYSA-N;143.12;0.33;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP2_SP2";;;;;;;-1.34;;-4.31;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM398256;MM398256;CC=NN=CNC(C)C#N;USJACVBRLJONTC-UHFFFAOYSA-N;138.17;0.52;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_P2";;;;;;;0.54;;-1.09;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM398257;MM398257;CCc1nc(=O)onc1C;OGWHYVFVPHMDGK-UHFFFAOYSA-N;140.14;0.3;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP1_SP2";;;;;;;-1.06;;-3.82;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM398258;MM398258;C#CC1(CCC=C)NC1C;OTWWXLZJKCLTJY-UHFFFAOYSA-N;135.21;1.32;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP2_C3";;;;;;;1.46;;-0.14;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM398259;MM398259;Cc1noc(=O)nc1CO;PEJPGSFCQRMQRB-UHFFFAOYSA-N;142.11;-0.77;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP2_SP3";;;;;;;-2.2;;-5.19;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM398260;MM398260;C=C(C=O)NC=NN=CC;UMAMEWVGWLFWSV-UHFFFAOYSA-N;139.16;0.32;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nd_Na";;;;;;;0.87;;-1.88;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM398261;MM398261;Cc1noc(=O)nc1CF;QRDBNJXAESLOCR-UHFFFAOYSA-N;144.11;0.21;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP3_SP2";;;;;;;-2.2;;-5.19;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM398262;MM398262;C=CC1(C(C)C)CCOC1;OQRNGSQFNNYBIM-UHFFFAOYSA-N;140.23;2.24;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC4_SNa";;;;;;;2.2;;0.34;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM398263;MM398263;CCc1nc(=N)onc1F;GTBVZCWIHSUSDD-UHFFFAOYSA-N;143.12;0.25;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP1_SP2";;;;;;;-1.06;;-3.82;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM398264;MM398264;C=C(C)C1(NC)CCNC1;AVARKPSIHPUCIF-UHFFFAOYSA-N;140.23;0.51;;;;;DOPC;MDCG;27;1;"MARTINI bead: SP1_SNd";;;;;;;0.04;;-5.64;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM398265;MM398265;C#CC1(C(=C)C)CCNC1;ZOQHGFLTEVIERV-UHFFFAOYSA-N;135.21;1.18;;;;;DOPC;MDCG;27;1;"MARTINI bead: SN0_SNd";;;;;;;1.17;;-4.48;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM398266;MM398266;N=c1nc(CO)c(F)no1;GIYDAQHENGHGGZ-UHFFFAOYSA-N;145.09;-0.82;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP3_SP2";;;;;;;-2.2;;-5.19;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM398267;MM398267;C=C(C)C1(NC)CC=CC1;NFIXKQKTHWUGLE-UHFFFAOYSA-N;137.23;1.87;;;;;DOPC;MDCG;27;1;"MARTINI bead: SC5_SC5";;;;;;;2.41;;-0.24;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM398268;MM398268;CCc1nc(=O)onc1F;CIKNGRQWVMBBQU-UHFFFAOYSA-N;144.11;0.13;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP1_SP2";;;;;;;-1.06;;-3.82;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM398269;MM398269;C=C(C)C1(OC)CC=CC1;PWYFRURXKFRYCI-UHFFFAOYSA-N;138.21;2.3;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC4_SC5";;;;;;;2.97;;0.45;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM398270;MM398270;O=c1nc(CO)c(F)no1;ASFXHTTVLTZFGP-UHFFFAOYSA-N;146.08;-0.94;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP3_SP2";;;;;;;-2.2;;-5.19;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM398271;MM398271;COc1nc(=N)onc1C;ZGMVNXABQAJKLO-UHFFFAOYSA-N;141.13;-0.13;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP2_SP2";;;;;;;-1.34;;-4.31;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM398272;MM398272;C=CC1(C(=C)C)CC=CC1;UXDRYDNQIVIFIN-UHFFFAOYSA-N;134.22;3.08;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC1_SC5";;;;;;;3.68;;0.46;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM398273;MM398273;COc1nc(=O)onc1C;CSWSHQGZDCOYTD-UHFFFAOYSA-N;142.11;-0.25;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP2_SP2";;;;;;;-1.34;;-4.31;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM398274;MM398274;C=C(C)C1(C#N)CC=CC1;MJKFLINAJOEFCQ-UHFFFAOYSA-N;133.19;2.42;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC4_SC5";;;;;;;2.97;;0.45;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM398275;MM398275;COc1nc(=N)onc1F;ZFVBNTNAHKCFDA-UHFFFAOYSA-N;145.09;-0.3;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP2_SP2";;;;;;;-1.34;;-4.31;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM398276;MM398276;C=CC1(C(=C)C)C=NNC1;MBJKUKTYYOZLHP-UHFFFAOYSA-N;136.2;1.32;;;;;DOPC;MDCG;27;0;"MARTINI bead: SN0_SP1";;;;;;;0.34;;-1.53;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM398277;MM398277;COc1nc(=O)onc1F;VXVOYUZLEJIFGW-UHFFFAOYSA-N;146.08;-0.42;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP2_SP2";;;;;;;-1.34;;-4.31;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM398278;MM398278;C=C(C)C1(CC)C=CC=C1;IQPFHQYASWCXKF-UHFFFAOYSA-N;134.22;3.08;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC1_SC5";;;;;;;3.68;;0.46;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM398279;MM398279;C=Cc1cc(=O)occ1F;HGJDDWZGPCFYTL-UHFFFAOYSA-N;140.11;1.42;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP1_N0";;;;;;;0.34;;-1.53;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM398280;MM398280;C=CC1(C(=C)C)C=CC=C1;LDKVEWLHAJPNRT-UHFFFAOYSA-N;132.21;2.86;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC1_SC5";;;;;;;3.68;;0.46;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM398281;MM398281;C=Cc1nc(=N)onc1C;PHKICRQGXAIALC-UHFFFAOYSA-N;137.14;0.5;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP1_SP2";;;;;;;-1.06;;-3.82;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM398282;MM398282;CCCCC1(C(C)C)CC1;PUONMQPETYQURM-UHFFFAOYSA-N;140.27;3.61;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1_SC4";;;;;;;4.24;;0.42;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM398283;MM398283;Cc1noc(=N)nc1C=O;XIZUPUHLOMXSOV-UHFFFAOYSA-N;139.11;-0.33;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP2_SP2";;;;;;;-1.34;;-4.31;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM398284;MM398284;CC(C)C1(NCCF)CC1;UKSMEZDKEDUMEN-UHFFFAOYSA-N;145.22;1.73;;;;;DOPC;MDCG;27;1;"MARTINI bead: SNd_C5";;;;;;;1.64;;-1.47;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM398285;MM398285;Cc1noc(=N)nc1C#N;VGYFGBRMKKCAGL-UHFFFAOYSA-N;136.11;-0.27;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP2_SP2";;;;;;;-1.34;;-4.31;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM398286;MM398286;CCCOC1(C(C)C)CC1;YGTXSFDJOUTSMS-UHFFFAOYSA-N;142.24;2.6;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_SC4";;;;;;;2.2;;0.34;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM398287;MM398287;C=Cc1nc(=O)onc1C;JFQOCEWTOLQOGA-UHFFFAOYSA-N;138.13;0.38;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP3_SP1";;;;;;;-1.93;;-4.72;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM398288;MM398288;COCCC1(C(C)N)CN1;YPUCHSVYABVKMP-UHFFFAOYSA-N;144.22;-0.29;;;;;DOPC;MDCG;27;1;"MARTINI bead: Na_SP2";;;;;;;-0.24;;-5.47;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM398289;MM398289;Cc1noc(=O)nc1C=O;AGKRTPHFWVOBOR-UHFFFAOYSA-N;140.1;-0.45;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP3_SP2";;;;;;;-2.2;;-5.19;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM398290;MM398290;CCNCC1(C(C)C)CN1;YDRXVNMHNNNZTF-UHFFFAOYSA-N;142.25;0.59;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_SNd";;;;;;;0.87;;-4.45;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM398291;MM398291;Cc1noc(=O)nc1C#N;NTWGMLGAKVGYEW-UHFFFAOYSA-N;137.1;-0.39;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP2_SP3";;;;;;;-2.2;;-5.19;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM398292;MM398292;CC(C)C1(CCC=O)CC1;XSLARRJGCDWWCH-UHFFFAOYSA-N;140.23;2.4;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC4_Na";;;;;;;2.2;;0.34;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM398293;MM398293;C=Cc1nc(=N)onc1F;AKVNOBPGCZFNCW-UHFFFAOYSA-N;141.11;0.33;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP2_SP2";;;;;;;-1.34;;-4.31;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM398294;MM398294;C=CC(F)C=NNC=NN;MDGJRSJBZZKTOR-UHFFFAOYSA-N;144.15;-0.01;;;;;DOPC;MDCG;27;0;"MARTINI bead: P4_C4";;;;;;;0.15;;-2.18;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM398295;MM398295;N=c1nc(C=O)c(F)no1;FJUBXYFNJYEBGG-UHFFFAOYSA-N;143.08;-0.5;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP2_SP3";;;;;;;-2.2;;-5.19;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM398296;MM398296;C=C(C)C1(CCCC)CC1;QXUONOILSGHUPY-UHFFFAOYSA-N;138.25;3.53;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1_SC4";;;;;;;4.24;;0.42;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM398297;MM398297;N#Cc1nc(=N)onc1F;UUNZMZGMNJSCHB-UHFFFAOYSA-N;140.08;-0.44;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP2_SP2";;;;;;;-1.34;;-4.31;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM398298;MM398298;C=C(C)C1(CCCN)CC1;MVBSLQLQGLZVNT-UHFFFAOYSA-N;139.24;2.08;;;;;DOPC;MDCG;27;1;"MARTINI bead: SC4_Nd";;;;;;;2.2;;-2.21;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM398299;MM398299;C=Cc1nc(=O)onc1F;PQTMYBWEZIAVHL-UHFFFAOYSA-N;142.09;0.21;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP2_SP2";;;;;;;-1.34;;-4.31;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM398300;MM398300;C=C(C)C1(CCCO)CC1;TXMHYWSPLSDNQV-UHFFFAOYSA-N;140.23;2.12;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC4_Nda";;;;;;;2.2;;0.49;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM398301;MM398301;O=Cc1nc(=O)onc1F;SXOUCQJZXHBQNB-UHFFFAOYSA-N;144.06;-0.62;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP2_SP3";;;;;;;-2.2;;-5.19;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM398302;MM398302;C=C(C)C1(CCNC)CC1;UVLWZJBCGXWTSE-UHFFFAOYSA-N;139.24;1.95;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_SC4";;;;;;;2.2;;-2.56;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM398303;MM398303;N#Cc1nc(=O)onc1F;RKEKZZVQZSAJOR-UHFFFAOYSA-N;141.06;-0.56;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP2_SP2";;;;;;;-1.34;;-4.31;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM398304;MM398304;C=C(C)C1(NCCC)CC1;XPPHCYHZZCEZQI-UHFFFAOYSA-N;139.24;2.09;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_SC4";;;;;;;2.2;;-1.86;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM398305;MM398305;C#Cc1nc(=N)onc1C;VHYFGVKWKJSYMX-UHFFFAOYSA-N;135.13;-0.16;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP2_SP2";;;;;;;-1.34;;-4.31;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM398306;MM398306;C=C(C)C1(NCCN)CC1;BMFHJVOHSGNBSC-UHFFFAOYSA-N;140.23;0.64;;;;;DOPC;MDCG;27;1;"MARTINI bead: SNd_P1";;;;;;;0.04;;-4.84;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM398307;MM398307;C#Cc1nc(=O)onc1C;ODPAQPIFQNHZNT-UHFFFAOYSA-N;136.11;-0.28;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP2_SP3";;;;;;;-2.2;;-5.19;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM398308;MM398308;C=C(C)C1(OCCC)CC1;BSDGNWJDMWOLRI-UHFFFAOYSA-N;140.23;2.52;;;;;DOPC;MDCG;27;0;"MARTINI bead: C3_SNa";;;;;;;2.57;;0.45;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM398309;MM398309;C#Cc1nc(=N)onc1F;XUQIHXZPZVQDAV-UHFFFAOYSA-N;139.09;-0.33;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP2_SP3";;;;;;;-2.2;;-5.19;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM398310;MM398310;C=C(C)C1(OCCN)CC1;JWNWZISOBRILFI-UHFFFAOYSA-N;141.21;1.07;;;;;DOPC;MDCG;27;1;"MARTINI bead: SNa_P1";;;;;;;0.04;;-4.57;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM398311;MM398311;C#Cc1nc(=O)onc1F;QXPMHMOYIQKTQD-UHFFFAOYSA-N;140.07;-0.45;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP2_SP3";;;;;;;-2.2;;-5.19;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM398312;MM398312;C=CCCC1(C(=C)C)CC1;CXWZSOZBTWAJOG-UHFFFAOYSA-N;136.24;3.31;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC4_C3";;;;;;;3.9;;0.47;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM398313;MM398313;CCc1[nH]c(=O)cnc1N;OLJGNMMTZQEWCM-UHFFFAOYSA-N;139.16;-0.09;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNd_SP4";;;;;;;-1.19;;-4.91;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM398314;MM398314;C=C(C)C1(CCC=O)CC1;XACFVAWBFJDWMF-UHFFFAOYSA-N;138.21;2.32;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC4_Na";;;;;;;2.2;;0.34;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM398315;MM398315;Nc1ncc(=O)[nH]c1CO;OWEMNFMRIVPKKZ-UHFFFAOYSA-N;141.13;-1.16;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP4_SP1";;;;;;;-2.01;;-5.13;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM398316;MM398316;C=NNCC1(C(=C)C)CC1;ITULQJIRXUOMPZ-UHFFFAOYSA-N;138.21;1.55;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC4_P2";;;;;;;1.09;;-0.37;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM398317;MM398317;Nc1ncc(=O)[nH]c1CF;APCRSKCSVNYHEO-UHFFFAOYSA-N;143.12;-0.18;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP4_SNda";;;;;;;-1.19;;-4.91;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM398318;MM398318;C=COCC1(C(=C)C)CC1;WUPWYGXXADGQCF-UHFFFAOYSA-N;138.21;2.5;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC4_Na";;;;;;;2.2;;0.34;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM398319;MM398319;CN=c1oc(=N)[nH]cc1C;YMLJONWEAFDOTO-UHFFFAOYSA-N;139.16;-0.07;;;;;DOPC;MDCG;27;1;"MARTINI bead: SP1_SP1";;;;;;;-0.79;;-4.56;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM398320;MM398320;C=NOCC1(C(=C)C)CC1;WMMIPUFLCIKDOR-UHFFFAOYSA-N;139.2;1.97;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC4_P1";;;;;;;1.37;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM398321;MM398321;CN=c1oc(=O)[nH]cc1C;PSILNOZUIVNLKY-UHFFFAOYSA-N;140.14;-0.19;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP1_SP2";;;;;;;-1.06;;-3.82;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM398322;MM398322;C=C(C)C1(NNC=N)CC1;YSUNRKUYMVJVPE-UHFFFAOYSA-N;139.2;0.8;;;;;DOPC;MDCG;27;1;"MARTINI bead: SC4_P4";;;;;;;0.15;;-4.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM398323;MM398323;CN=c1oc(=N)[nH]cc1N;AKPANSFNBKPDKD-UHFFFAOYSA-N;140.15;-0.8;;;;;DOPC;MDCG;27;1;"MARTINI bead: SP2_SP1";;;;;;;-1.06;;-4.85;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM398324;MM398324;C#CCCC1(C(=C)C)CC1;KAWGXYGENYBYNV-UHFFFAOYSA-N;134.22;2.76;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC4_C5";;;;;;;2.97;;0.45;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM398325;MM398325;CC1C(C)N(C)C(=N)N1C;PDIUDZDCASCCRM-UHFFFAOYSA-N;141.22;0.58;;;;;DOPC;MDCG;27;1;"MARTINI bead: SNd_SP2";;;;;;;-0.24;;-7.92;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM398326;MM398326;Cc1nnc(=N)oc1CN;AWRHJIAOPGUUTD-UHFFFAOYSA-N;140.15;-0.68;;;;;DOPC;MDCG;27;1;"MARTINI bead: SP3_SP2";;;;;;;-2.2;;-6.34;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM398327;MM398327;C=C1C(=C)C(C)C(C)C1C;USFCMRLNYFEVNL-UHFFFAOYSA-N;136.24;3.02;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC3_SC2";;;;;;;4.53;;0.32;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM398328;MM398328;C=CN(C=NN)C=NC=N;XQRXDEQVFJUWPL-UHFFFAOYSA-N;139.16;-0.03;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_P2";;;;;;;-1.06;;-3.82;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM398329;MM398329;C=C1C(=O)C(C)C(C)C1C;VXIVWXUFXGRMOS-UHFFFAOYSA-N;138.21;2.03;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC2_SNa";;;;;;;2.83;;0.35;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM398330;MM398330;Cc1nnc(=N)oc1CF;NAVSJGBRABMEOF-UHFFFAOYSA-N;143.12;0.33;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP3_SP2";;;;;;;-2.2;;-5.19;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM398331;MM398331;C=C1C(=O)C(C)C(C)C1O;DXNNIOSKENXXGG-UHFFFAOYSA-N;140.18;0.76;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNa_SNda";;;;;;;0.87;;-1.99;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM398332;MM398332;Cc1nnc(=O)oc1CN;UFRDQQIVHQZBDG-UHFFFAOYSA-N;141.13;-0.8;;;;;DOPC;MDCG;27;1;"MARTINI bead: SP2_SP2";;;;;;;-1.34;;-5.46;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM398333;MM398333;C=C1C(=C)C(C)C(N)C1C;RTQPMBIBJRLNSZ-UHFFFAOYSA-N;137.23;1.71;;;;;DOPC;MDCG;27;1;"MARTINI bead: SNd_SC3";;;;;;;2.57;;-1.73;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM398334;MM398334;Cc1nnc(=O)oc1CO;ZCIUMRQCBVGGTL-UHFFFAOYSA-N;142.11;-0.77;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP2_SP2";;;;;;;-1.34;;-4.31;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM398335;MM398335;C=C1C(=C)C(N)C(N)C1C;LTFUGNGRSAQEPM-UHFFFAOYSA-N;138.21;0.4;;;;;DOPC;MDCG;27;1;"MARTINI bead: SP1_SC3";;;;;;;1.74;;-1.64;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM398336;MM398336;Cc1nnc(=O)oc1CF;UXSDSQFBFKVZAL-UHFFFAOYSA-N;144.11;0.21;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP2_SP2";;;;;;;-1.34;;-4.31;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM398337;MM398337;C=CN(N)C(C=NN)=NN;WQXMLMUEKORYDB-UHFFFAOYSA-N;142.17;-1.48;;;;;DOPC;MDCG;27;0;"MARTINI bead: P3_N0";;;;;;;-0.8;;-2.99;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM398338;MM398338;CNC(=N)N(C=O)C(C)=O;MKCYEDHMWJQATN-UHFFFAOYSA-N;143.15;-0.85;;;;;DOPC;MDCG;27;0;"MARTINI bead: P4_Na";;;;;;;-1.19;;-4.76;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM398339;MM398339;C=C1C(=C)C(C)C(F)C1C;WKUCIBRJOHJYCO-UHFFFAOYSA-N;140.2;2.72;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC4_SC3";;;;;;;3.9;;0.47;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM398340;MM398340;CON(C(C)=NN)C(C)C;XIRUKNRMWOMMFS-UHFFFAOYSA-N;145.21;0.55;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_Nd";;;;;;;0.87;;-1.88;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM398341;MM398341;C=C1C(=N)N(C)C(C)C1C;QHLLAXBEWVBANK-UHFFFAOYSA-N;138.21;1.49;;;;;DOPC;MDCG;27;1;"MARTINI bead: SP1_SNd";;;;;;;0.04;;-7.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM398342;MM398342;Nc1nnc(=O)oc1CO;KEHIAMJOQSWFTF-UHFFFAOYSA-N;143.1;-1.5;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP2_SP3";;;;;;;-2.2;;-5.19;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM398343;MM398343;C=C1C(=O)N(C)C(C)C1C;HCVRKYBYSYOITG-UHFFFAOYSA-N;139.2;1.04;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP1_SNda";;;;;;;0.04;;-2.73;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM398344;MM398344;Nc1nnc(=O)oc1CF;PCGFETNVMXAHFG-UHFFFAOYSA-N;145.09;-0.52;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP2_SP3";;;;;;;-2.2;;-5.19;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM398345;MM398345;CC1C(=O)C(=N)N(C)C1C;RJSLGYFLUNADDT-UHFFFAOYSA-N;140.19;0.5;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP2_SNd";;;;;;;-0.24;;-3.16;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM398346;MM398346;N#CC(F)C(C=NO)=NO;IWIXJRNGGODFJR-UHFFFAOYSA-N;145.09;0.14;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_Na";;;;;;;-0.24;;-7.83;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM398347;MM398347;C=C1C(=N)N(N)C(C)C1C;VUZAIFPXGFCUJG-UHFFFAOYSA-N;139.2;0.73;;;;;DOPC;MDCG;27;1;"MARTINI bead: SP1_SP1";;;;;;;-0.79;;-5.8;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM398348;MM398348;CNN=CC(F)(F)C(=O)O;ONJZYJJXYFWDOD-UHFFFAOYSA-N;152.1;-0.09;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_Nda";;;;;;;-0.24;;-7.86;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM398349;MM398349;C=C1C(=C)C(C)N(C)C1C;FWFLDOLHUCZOEI-UHFFFAOYSA-N;137.23;1.82;;;;;DOPC;MDCG;27;1;"MARTINI bead: SC5_SP1";;;;;;;0.81;;-2.01;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM398350;MM398350;C=Cc1[nH]c(=O)cnc1N;XOSFYPXLGREKHH-UHFFFAOYSA-N;137.14;;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP4_SNd";;;;;;;-1.19;;-4.91;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM398351;MM398351;Cc1c(O)c(O)c(C)n1C;YVDOPYITDINSNV-UHFFFAOYSA-N;141.17;1.05;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP1_SC5";;;;;;;0.81;;-0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM398352;MM398352;C=Cc1oc(=N)nnc1C;QMVYKMQVDNBHIK-UHFFFAOYSA-N;137.14;0.5;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP2_SP3";;;;;;;-2.2;;-5.19;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM398353;MM398353;Cc1c(O)c(=N)n(C)n1C;NEALFGBLIACGSE-UHFFFAOYSA-N;141.17;-0.14;;;;;DOPC;MDCG;27;1;"MARTINI bead: SNda_SP2";;;;;;;-0.24;;-8.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM398354;MM398354;Cc1nnc(=N)oc1C=O;AKLKNYGSUVSZAD-UHFFFAOYSA-N;139.11;-0.33;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP3_SP2";;;;;;;-2.2;;-5.19;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM398355;MM398355;Cc1c(O)c(=O)n(C)n1C;BSEFJECYJVUCIJ-UHFFFAOYSA-N;142.16;-0.26;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNda_SP2";;;;;;;-0.24;;-3.31;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM398356;MM398356;Cc1nnc(=N)oc1C#N;PZNXHFQWALQZHM-UHFFFAOYSA-N;136.11;-0.27;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP3_SP2";;;;;;;-2.2;;-5.19;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM398357;MM398357;Cn1c(=N)c(=N)n(C)n1C;XYIWOMGTCAQVGE-UHFFFAOYSA-N;141.18;-1.34;;;;;DOPC;MDCG;27;1;"MARTINI bead: SP1_SP3";;;;;;;-1.93;;-7.74;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM398358;MM398358;C=Cc1oc(=O)nnc1C;NSDWKKBVZMLULX-UHFFFAOYSA-N;138.13;0.38;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP2_SP2";;;;;;;-1.34;;-4.31;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM398359;MM398359;Cn1c(=O)c(=O)n(C)n1C;PCMWFCQKLQDICQ-UHFFFAOYSA-N;143.15;-1.58;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP1_SP2";;;;;;;-1.06;;-3.82;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM398360;MM398360;Cc1nnc(=O)oc1C=O;YUOJNUDZDKLBEJ-UHFFFAOYSA-N;140.1;-0.45;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP2_SP2";;;;;;;-1.34;;-4.31;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM398361;MM398361;Cn1c(=N)c(=N)n(N)n1C;VAYIZZWXFUHSIZ-UHFFFAOYSA-N;142.17;-2.16;;;;;DOPC;MDCG;27;1;"MARTINI bead: SP3_SP2";;;;;;;-2.2;;-7.68;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM398362;MM398362;Cc1nnc(=O)oc1C#N;DUOBPZKHSXBMPJ-UHFFFAOYSA-N;137.1;-0.39;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP2_SP2";;;;;;;-1.34;;-4.31;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM398363;MM398363;Cn1c(=N)c(=O)n(N)n1C;BFOKLCIVWOSVHJ-UHFFFAOYSA-N;143.15;-2.28;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP2_SP3";;;;;;;-2.2;;-5.19;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM398364;MM398364;CCN(C)C(=NN)C(C)F;NRMWYTOJNQAUSU-UHFFFAOYSA-N;147.2;0.57;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nd_Nda";;;;;;;0.87;;-1.92;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM398365;MM398365;Cn1c(=O)c(=N)n(N)n1C;RADOYSCMKYYCRC-UHFFFAOYSA-N;143.15;-2.28;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP3_SP2";;;;;;;-2.2;;-5.19;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM398366;MM398366;CON=CC(=NN)N(C)C;UNCKHAZUYPGOCO-UHFFFAOYSA-N;144.18;-0.55;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_Nd";;;;;;;-0.24;;-3.16;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM398367;MM398367;Cn1c(=O)c(=O)n(N)n1C;WEYFGCGKUIBPJU-UHFFFAOYSA-N;144.13;-2.4;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP3_SP4";;;;;;;-3.15;;-6.87;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM398368;MM398368;Nc1nnc(=O)oc1C=O;XPROBQRSMYZDGB-UHFFFAOYSA-N;141.09;-1.18;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP3_SP2";;;;;;;-2.2;;-5.19;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM398369;MM398369;Cn1c(=N)c(=N)n(O)n1C;KZBCKWVRTRVTAI-UHFFFAOYSA-N;143.15;-1.64;;;;;DOPC;MDCG;27;1;"MARTINI bead: SP3_SP2";;;;;;;-2.2;;-6.67;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM398370;MM398370;N#Cc1oc(=O)nnc1N;YZCAMOPXETWCDC-UHFFFAOYSA-N;138.09;-1.12;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP2_SP2";;;;;;;-1.34;;-4.31;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM398371;MM398371;C#CC(F)C(=NOC)OC;NQDHOGYKCSZCPJ-UHFFFAOYSA-N;145.13;0.56;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_Na";;;;;;;0.87;;-2.22;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM398372;MM398372;C#Cc1oc(=N)nnc1C;HHGHNSBNXWIAIN-UHFFFAOYSA-N;135.13;-0.16;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP2_SP3";;;;;;;-2.2;;-5.19;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM398373;MM398373;O=CC(C=O)OCC(=O)O;VNTIMNNXGKZXEM-UHFFFAOYSA-N;146.1;-1.15;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_Na";;;;;;;0.04;;-6.66;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM398374;MM398374;C#Cc1oc(=O)nnc1C;ROQZMJKPHWUEPF-UHFFFAOYSA-N;136.11;-0.28;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP2_SP2";;;;;;;-1.34;;-4.31;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM398375;MM398375;Cn1n(N)c(=N)c(=O)n1N;JAXZUEQLYCVYFU-UHFFFAOYSA-N;144.14;-3.1;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP2_SP3";;;;;;;-2.2;;-5.19;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM398376;MM398376;C#CC=CC1CC(OC)C1;PYBXGKJFWHSEGR-UHFFFAOYSA-N;136.19;1.6;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNa_SC3";;;;;;;2.57;;0.45;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM398377;MM398377;Cn1n(N)c(=O)c(=O)n1N;GIELVLQECQQWHN-UHFFFAOYSA-N;145.12;-3.22;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP4_SP3";;;;;;;-3.15;;-6.87;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM398378;MM398378;C#CC=CC1CC(CO)N1;NYBHYVRTGYLMFW-UHFFFAOYSA-N;137.18;-0.1;;;;;DOPC;MDCG;27;1;"MARTINI bead: SP2_SNd";;;;;;;-0.24;;-5.16;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM398379;MM398379;C=CC(=NNC)N(C)OC;PPJYJTAGOBFVDL-UHFFFAOYSA-N;143.19;0.2;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nd_P1";;;;;;;0.04;;-2.63;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM398380;MM398380;C#CC=CC1CC(CO)O1;PTMJDPSPUKBUHE-UHFFFAOYSA-N;138.17;0.33;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP1_SN0";;;;;;;0.34;;-1.53;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM398381;MM398381;O=CC#CC(O)CC(=O)O;RNEQXLPLZNSTAA-UHFFFAOYSA-N;142.11;-0.98;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_P1";;;;;;;-0.79;;-7.26;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM398382;MM398382;N#CC=CC1CC(C=O)C1;ZCBXZAQCDLIZOB-UHFFFAOYSA-N;135.17;1.29;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNa_SC5";;;;;;;1.64;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM398383;MM398383;O=C(O)COC(=O)CO;NYCQHRWCDWJIEG-UHFFFAOYSA-N;134.09;-1.39;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_P1";;;;;;;-1.06;;-7.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM398384;MM398384;N#CC=CC1CN(C=N)C1;QLWINFPJSROHIH-UHFFFAOYSA-N;135.17;0.61;;;;;DOPC;MDCG;27;1;"MARTINI bead: SP1_SP1";;;;;;;-0.79;;-7.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM398385;MM398385;CNN=C(C(=O)O)C(F)F;BTDPQCVMEQBURI-UHFFFAOYSA-N;152.1;-0.09;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nd_P1";;;;;;;0.04;;-6.75;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM398386;MM398386;C=NN1CC(C=CC#N)C1;ADKBBCVAVIDQLW-UHFFFAOYSA-N;135.17;0.61;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP1_SP1";;;;;;;-0.79;;-3.13;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM398387;MM398387;C=C1C(C)C(=C)C(C)C1C;UFUKQBRMGHJEBK-UHFFFAOYSA-N;136.24;3.02;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC3_SC2";;;;;;;4.53;;0.32;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM398388;MM398388;C#CC=CC1CC(C=C)N1;QHUOTJFWLHOWIK-UHFFFAOYSA-N;133.19;1.09;;;;;DOPC;MDCG;27;1;"MARTINI bead: SP1_SNd";;;;;;;0.04;;-4.56;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM398389;MM398389;C=C1C(N)C(=C)C(C)C1C;MALCOHDPYURAFQ-UHFFFAOYSA-N;137.23;1.71;;;;;DOPC;MDCG;27;1;"MARTINI bead: SC3_SC5";;;;;;;3.34;;0.65;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM398390;MM398390;C#CC=CC1CN(C=N)C1;HUEWENRKNNEMCZ-UHFFFAOYSA-N;134.18;0.71;;;;;DOPC;MDCG;27;1;"MARTINI bead: SP1_SP1";;;;;;;-0.79;;-7.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM398391;MM398391;C=C1C(C)C(=O)C(C)C1C;RRGVLJMXNDSHHU-UHFFFAOYSA-N;138.21;2.03;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC5_SC3";;;;;;;3.34;;0.48;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM398392;MM398392;C#CC=CC1CN(N=C)C1;PJVXHZMSZUEPCV-UHFFFAOYSA-N;134.18;0.72;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP1_SP1";;;;;;;-0.79;;-3.13;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM398393;MM398393;C=C1C(C)C(=C)C(N)C1C;LAPFQPDPSXDRPO-UHFFFAOYSA-N;137.23;1.71;;;;;DOPC;MDCG;27;1;"MARTINI bead: SC5_SC3";;;;;;;3.34;;0.49;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM398394;MM398394;CCC1CC(C#CC#N)C1;MHYVHFSXTIMZLJ-UHFFFAOYSA-N;133.19;1.95;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC2_SC5";;;;;;;3.6;;0.34;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM398395;MM398395;C=C1C(C)C(C)C(=N)N1C;BFNSZDYUNRXTLJ-UHFFFAOYSA-N;138.21;1.69;;;;;DOPC;MDCG;27;1;"MARTINI bead: SNd_SN0";;;;;;;1.17;;-5.39;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM398396;MM398396;C=CC#CC1CC(CN)C1;XJYMOMGJISXMNZ-UHFFFAOYSA-N;135.21;1.16;;;;;DOPC;MDCG;27;1;"MARTINI bead: SNd_SC3";;;;;;;2.57;;-1.53;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM398397;MM398397;C=C1C(C)C(C)C(=O)N1C;YASUIPNZGCPDKK-UHFFFAOYSA-N;139.2;1.24;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNda_SN0";;;;;;;1.17;;-1.13;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM398398;MM398398;Cn1c(=NN)cc(F)n1N;LBKBFMKHALHLCZ-UHFFFAOYSA-N;145.14;-1.55;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP2_SNa";;;;;;;-0.24;;-3.24;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM398399;MM398399;C=C1C(C)C(C)C(=O)N1N;OYIBPJPZOYWHKV-UHFFFAOYSA-N;140.19;0.49;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP1_SN0";;;;;;;0.34;;-1.53;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM398400;MM398400;CNC1CC(C#CC#N)C1;RGOVJKBVNTUBEE-UHFFFAOYSA-N;134.18;0.51;;;;;DOPC;MDCG;27;1;"MARTINI bead: SNd_SC5";;;;;;;1.64;;-2.68;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM398401;MM398401;CC1C(=N)N(N)C(=N)C1C;GDJFKXZIUYXJNE-UHFFFAOYSA-N;140.19;0.4;;;;;DOPC;MDCG;27;1;"MARTINI bead: SNd_SP1";;;;;;;0.04;;-3.97;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM398402;MM398402;C=CC#CC1CC(OC)C1;RAFSLDRWKIHFOW-UHFFFAOYSA-N;136.19;1.6;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNa_SC3";;;;;;;2.57;;0.45;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM398403;MM398403;CC1C(=N)N(C)C(=O)C1C;AHQPXPMZUAIUGN-UHFFFAOYSA-N;140.19;0.71;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNda_SNd";;;;;;;0.87;;-1.92;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM398404;MM398404;C=CC#CC1CC(CC)N1;HZMYZWOXRSZKEU-UHFFFAOYSA-N;135.21;1.32;;;;;DOPC;MDCG;27;1;"MARTINI bead: SN0_SNd";;;;;;;1.17;;-3.19;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM398405;MM398405;CC1C(=N)N(N)C(=O)C1C;OWDKCGOXPWJAFA-UHFFFAOYSA-N;141.17;-0.05;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP1_SNd";;;;;;;0.04;;-2.63;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM398406;MM398406;CCC1CC(C#CC#N)O1;BKJVUBNADHBHIG-UHFFFAOYSA-N;135.17;1.08;;;;;DOPC;MDCG;27;0;"MARTINI bead: SN0_SNa";;;;;;;1.17;;-1.18;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM398407;MM398407;CC1C(=O)N(C)C(=O)C1C;QWAXPPSBSBVTPN-UHFFFAOYSA-N;141.17;0.26;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNda_SP1";;;;;;;0.04;;-2.73;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM398408;MM398408;N#CC#CC1CC(CO)O1;XDRXTNGGAPWNAC-UHFFFAOYSA-N;137.14;-0.34;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP1_SNa";;;;;;;0.04;;-2.54;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM398409;MM398409;C=C1C(N)C(C)C(=N)N1C;DOBJUUSHSPXSDY-UHFFFAOYSA-N;139.2;0.39;;;;;DOPC;MDCG;27;1;"MARTINI bead: SP1_SNd";;;;;;;0.04;;-6.43;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM398410;MM398410;N#CC#CC1CC(CF)O1;CKRLWHWMGDRPIT-UHFFFAOYSA-N;139.13;0.64;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNa_SNa";;;;;;;0.87;;-2.22;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM398411;MM398411;C=C1C(N)C(N)C(=N)N1C;UTRSAYYHBVWPNU-UHFFFAOYSA-N;140.19;-0.92;;;;;DOPC;MDCG;27;1;"MARTINI bead: SP1_SP2";;;;;;;-1.06;;-6.21;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM398412;MM398412;C#CC#CC1CC(CC)C1;YQNZFTDMEOILGD-UHFFFAOYSA-N;132.21;2.06;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC2_SC4";;;;;;;4.16;;0.44;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM398413;MM398413;C=C1C(C)C(=N)N(C)C1C;UNQPXWAOXJTXFF-UHFFFAOYSA-N;138.21;1.49;;;;;DOPC;MDCG;27;1;"MARTINI bead: SNd_SP1";;;;;;;0.04;;-6.58;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM398414;MM398414;C#CC#CC1CC(CN)C1;UZKBMYVAVLOEFC-UHFFFAOYSA-N;133.19;0.61;;;;;DOPC;MDCG;27;1;"MARTINI bead: SNd_SC4";;;;;;;2.2;;-2.23;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM398415;MM398415;Cn1c(=N)n(C)n(C)c1=N;DZPABUBQVNYHFJ-UHFFFAOYSA-N;141.18;-1.34;;;;;DOPC;MDCG;27;1;"MARTINI bead: SP2_SP3";;;;;;;-2.2;;-8.43;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM398416;MM398416;C#CC#CC1CC(CF)C1;NBVBDZBZSKLWJC-UHFFFAOYSA-N;136.17;1.62;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC5_SC4";;;;;;;2.97;;0.45;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM398417;MM398417;Cn1c(=N)n(N)c(=N)n1C;MAJAYNORMBAINX-UHFFFAOYSA-N;142.17;-2.16;;;;;DOPC;MDCG;27;1;"MARTINI bead: SP3_SP3";;;;;;;-3.07;;-9.12;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM398418;MM398418;C#CC#CC1CC(NC)C1;ISGLUKNAPHSFHA-UHFFFAOYSA-N;133.19;0.62;;;;;DOPC;MDCG;27;1;"MARTINI bead: SNd_SC4";;;;;;;2.2;;-2.24;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM398419;MM398419;Cn1c(=N)n(O)c(=N)n1C;OTGXKBZGKYCJRX-UHFFFAOYSA-N;143.15;-1.64;;;;;DOPC;MDCG;27;1;"MARTINI bead: SP3_SP3";;;;;;;-3.07;;-7.69;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM398420;MM398420;C#CC#CC1CC(OC)C1;HIPDPOQHXYGONO-UHFFFAOYSA-N;134.18;1.05;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNa_SC4";;;;;;;2.2;;0.34;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM398421;MM398421;Cn1c(=N)n(C)n(C)c1=O;QQVLMVBNNZJHSN-UHFFFAOYSA-N;142.16;-1.46;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP2_SP3";;;;;;;-2.2;;-5.19;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM398422;MM398422;C#CC#CC1CC(CC)N1;NKWIZVVSJWHLQR-UHFFFAOYSA-N;133.19;0.76;;;;;DOPC;MDCG;27;1;"MARTINI bead: SN0_SNd";;;;;;;1.17;;-2.93;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM398423;MM398423;Cn1c(=N)n(N)c(=O)n1C;SOAVZWOHIJGZBU-UHFFFAOYSA-N;143.15;-2.28;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP3_SP3";;;;;;;-3.07;;-6.15;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM398424;MM398424;C#CC#CC1CC(CO)N1;DUHJNAWKMKCWBL-UHFFFAOYSA-N;135.17;-0.65;;;;;DOPC;MDCG;27;1;"MARTINI bead: SP2_SNd";;;;;;;-0.24;;-4.31;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM398425;MM398425;Cn1c(=O)n(C)n(C)c1=O;RHUJUWUOLJJHCJ-UHFFFAOYSA-N;143.15;-1.58;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP3_SP2";;;;;;;-2.2;;-5.19;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM398426;MM398426;C#CC#CC1CC(CC)O1;XEDVUDGMXWGGMM-UHFFFAOYSA-N;134.18;1.19;;;;;DOPC;MDCG;27;0;"MARTINI bead: SN0_SNa";;;;;;;1.17;;-1.18;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM398427;MM398427;Cn1c(=O)n(N)c(=O)n1C;HTYHGAVCIVNQOS-UHFFFAOYSA-N;144.13;-2.4;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP3_SP3";;;;;;;-3.07;;-6.15;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM398428;MM398428;C#CC#CC1CC(CF)O1;PWTVFZLPAROZDC-UHFFFAOYSA-N;138.14;0.75;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNa_SNa";;;;;;;0.87;;-2.22;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM398429;MM398429;OC=C1C=C(CO)N=N1;QLBNOJCLIRSIOQ-UHFFFAOYSA-N;126.12;0.73;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNda_SNda";;;;;;;0.87;;-6.2;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM398430;MM398430;C=CC1CC(C#CC#N)C1;MWPLZJYLHYVHOO-UHFFFAOYSA-N;131.18;1.73;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC4_SC5";;;;;;;2.97;;0.45;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM398431;MM398431;Cn1c(=N)n(C)n(N)c1=N;SMRSNNXXLBQPAZ-UHFFFAOYSA-N;142.17;-2.16;;;;;DOPC;MDCG;27;1;"MARTINI bead: SP3_SP3";;;;;;;-3.07;;-8.98;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM398432;MM398432;N#CC#CC1CC(C=O)C1;ZAEHFXKRYRGYAT-UHFFFAOYSA-N;133.15;0.74;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNa_SC5";;;;;;;1.64;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM398433;MM398433;Cn1c(=N)n(N)c(=N)n1N;ZINRCXNIBSMCLM-UHFFFAOYSA-N;143.15;-2.99;;;;;DOPC;MDCG;27;1;"MARTINI bead: SP3_SP3";;;;;;;-3.07;;-8.72;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM398434;MM398434;N#CC#CC1CC(C#N)C1;SHYLIUQUPSMMNY-UHFFFAOYSA-N;130.15;1.06;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC5_SN0";;;;;;;1.94;;0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM398435;MM398435;Cn1c(=N)n(O)c(=N)n1N;FFUPJCICYLGCED-UHFFFAOYSA-N;144.14;-2.46;;;;;DOPC;MDCG;27;1;"MARTINI bead: SP3_SP3";;;;;;;-3.07;;-7.24;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM398436;MM398436;N#CC#CC1CC(C#N)N1;HVZSBTOLFRZEDG-UHFFFAOYSA-N;131.14;-0.23;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP1_SP2";;;;;;;-1.06;;-3.82;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM398437;MM398437;Cn1c(=N)n(C)n(N)c1=O;VITOEZLMMMOOOS-UHFFFAOYSA-N;143.15;-2.28;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP3_SP3";;;;;;;-3.07;;-6.15;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM398438;MM398438;C=CC1CC(C#CC#N)O1;MPGZLOCMRYQDTE-UHFFFAOYSA-N;133.15;0.86;;;;;DOPC;MDCG;27;0;"MARTINI bead: SN0_SNa";;;;;;;1.17;;-1.18;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM398439;MM398439;Cn1c(=N)n(N)c(=O)n1N;SLWLGSLYOUIKRH-UHFFFAOYSA-N;144.14;-3.1;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP3_SP3";;;;;;;-3.07;;-6.15;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM398440;MM398440;N#CC#CC1CC(C#N)O1;FDWPENAYHNSLQX-UHFFFAOYSA-N;132.12;0.19;;;;;DOPC;MDCG;27;0;"MARTINI bead: SN0_SP1";;;;;;;0.34;;-1.53;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM398441;MM398441;Cn1c(=O)n(N)c(=N)n1N;HKFJIFSKGOOGRJ-UHFFFAOYSA-N;144.14;-3.1;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP3_SP3";;;;;;;-3.07;;-6.15;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM398442;MM398442;C=CC#CC1CN(C=N)C1;ZZPYACGVTOELDX-UHFFFAOYSA-N;134.18;0.71;;;;;DOPC;MDCG;27;1;"MARTINI bead: SP1_SP1";;;;;;;-0.79;;-6.72;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM398443;MM398443;Cn1c(=O)n(C)n(N)c1=O;OIVXAQVSEVUIMN-UHFFFAOYSA-N;144.13;-2.4;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP3_SP3";;;;;;;-3.07;;-6.15;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM398444;MM398444;N#CC#CC1CN(C=N)C1;QDPMTJVBEGVNND-UHFFFAOYSA-N;133.15;0.05;;;;;DOPC;MDCG;27;1;"MARTINI bead: SP1_SP1";;;;;;;-0.79;;-6.71;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM398445;MM398445;Cn1c(=O)n(N)c(=O)n1N;ZUGSXXHFZWAUMR-UHFFFAOYSA-N;145.12;-3.22;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP3_SP3";;;;;;;-3.07;;-6.15;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM398446;MM398446;C=CC#CC1CN(C=O)C1;DOSBEHLZJFXVEI-UHFFFAOYSA-N;135.17;0.26;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP1_SP1";;;;;;;-0.79;;-3.13;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM398447;MM398447;C#CC(OCCO)C(=O)O;AKGGMUNIXHRJOG-UHFFFAOYSA-N;144.13;-0.92;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_P1";;;;;;;-0.79;;-7.26;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM398448;MM398448;C#CC1=CC2C(C)C2(O)C1;AWTAIDWVHVUSDV-UHFFFAOYSA-N;134.18;0.95;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC5_SNda";;;;;;;1.64;;0.05;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM398449;MM398449;Cn1c(=N)n(C)n(O)c1=N;AIELRZLSEHTKLX-UHFFFAOYSA-N;143.15;-1.64;;;;;DOPC;MDCG;27;1;"MARTINI bead: SP3_SP3";;;;;;;-3.07;;-7.79;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM398450;MM398450;C=CC#CC1CN(N=C)C1;PRWZPPOJWQDADM-UHFFFAOYSA-N;134.18;0.72;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP1_SP1";;;;;;;-0.79;;-3.13;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM398451;MM398451;Cn1c(=N)n(N)c(=N)n1O;CPTDRYICQBKTHB-UHFFFAOYSA-N;144.14;-2.46;;;;;DOPC;MDCG;27;1;"MARTINI bead: SP3_SP3";;;;;;;-3.07;;-7.53;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM398452;MM398452;NN=c1cc(F)ccn1N;SVPCGONCYINFPA-UHFFFAOYSA-N;142.14;-0.88;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNa_SNd";;;;;;;0.87;;-1.88;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM398453;MM398453;C=CC(C)(O)C(C#N)=NO;CBQUCPWDYZGHCC-UHFFFAOYSA-N;140.14;0.28;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda_P2";;;;;;;-0.24;;-7.39;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM398454;MM398454;C#CC#CC1CC(C=C)C1;SMZCSFMVDJTTBA-UHFFFAOYSA-N;130.19;1.84;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC4_SC4";;;;;;;3.53;;0.53;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM398455;MM398455;CCNN=C(C=O)OCC;NVAWTEBYMHDBFB-UHFFFAOYSA-N;144.17;0.14;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_C5";;;;;;;0.81;;-0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM398456;MM398456;C#CC#CC1CC(C=O)C1;KRSMJONEHPMDCN-UHFFFAOYSA-N;132.16;0.85;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNa_SC4";;;;;;;2.2;;0.34;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM398457;MM398457;CN(N)C(C#CCF)=NN;IHDATMPRCAXSNS-UHFFFAOYSA-N;144.15;-0.96;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_Na";;;;;;;-0.24;;-3.24;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM398458;MM398458;C#CC#CC1CC(C#N)C1;MUWBRNKCCOUWRK-UHFFFAOYSA-N;129.16;1.17;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC4_SN0";;;;;;;2.5;;0.44;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM398459;MM398459;COC(OC)C(C=O)=NO;CNNMQXVNLZMETC-UHFFFAOYSA-N;147.13;-0.37;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_P1";;;;;;;-0.79;;-7.26;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM398460;MM398460;C#CC#CC1CC(C=C)N1;AFLRNOKPKLFFKN-UHFFFAOYSA-N;131.18;0.54;;;;;DOPC;MDCG;27;1;"MARTINI bead: SP1_SNd";;;;;;;0.04;;-3.69;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM398461;MM398461;Cn1c(=N)n(N)n(N)c1=N;DWQDQQCGHQFIBV-UHFFFAOYSA-N;143.15;-2.99;;;;;DOPC;MDCG;27;1;"MARTINI bead: SP3_SP3";;;;;;;-3.07;;-8.56;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM398462;MM398462;C#CC#CC1CC(C#N)N1;BFDGBDBUJIXSSJ-UHFFFAOYSA-N;130.15;-0.12;;;;;DOPC;MDCG;27;0;"MARTINI bead: SN0_SP2";;;;;;;0.06;;-2.21;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM398463;MM398463;N=c1n(N)c(=N)n(N)n1N;ZSXOCCRMZPUQRJ-UHFFFAOYSA-N;144.14;-3.81;;;;;DOPC;MDCG;27;1;"MARTINI bead: SP3_SP3";;;;;;;-3.07;;-8.31;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM398464;MM398464;C#CC#CC1CN(C=N)C1;MUWAUJFNPOSQLR-UHFFFAOYSA-N;132.17;0.16;;;;;DOPC;MDCG;27;1;"MARTINI bead: SP1_SP1";;;;;;;-0.79;;-6.71;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM398465;MM398465;Cn1c(=N)n(N)n(N)c1=O;ZQPAPKNCAGXNNH-UHFFFAOYSA-N;144.14;-3.1;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP3_SP3";;;;;;;-3.07;;-6.15;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM398466;MM398466;N=c1n(N)c(=O)n(N)n1N;PADKVCMYUAVCQT-UHFFFAOYSA-N;145.13;-3.93;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP3_SP3";;;;;;;-3.07;;-6.15;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM398467;MM398467;C#CC#CC1CN(C=O)C1;IPENTPNKENPANX-UHFFFAOYSA-N;133.15;-0.29;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP1_SP1";;;;;;;-0.79;;-3.13;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM398468;MM398468;C#CC(O)C(=NN)C(=O)O;BNQLJUDHWKBJND-UHFFFAOYSA-N;142.11;-1.62;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_P1";;;;;;;-1.06;;-7.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM398469;MM398469;Cc1cc(=NN)n(N)cn1;OCMUUEJDEBRGDP-UHFFFAOYSA-N;139.16;-1.32;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNa_SP3";;;;;;;-1.1;;-4.2;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM398470;MM398470;Cn1c(=O)n(N)n(N)c1=O;JEBFCZMKSAEKHY-UHFFFAOYSA-N;145.12;-3.22;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP5_SP3";;;;;;;-3.08;;-7.6;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM398471;MM398471;C#CC1CC(C#CC#N)C1;WRRHAXCJBJOPSZ-UHFFFAOYSA-N;129.16;1.17;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC5_SC5";;;;;;;2.41;;0.64;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM398472;MM398472;Nn1c(=O)n(N)n(N)c1=O;SSPINNRFRWGVEY-UHFFFAOYSA-N;146.11;-4.05;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP5_SP3";;;;;;;-3.08;;-7.6;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM398473;MM398473;C#CC#CC1CC(C#C)C1;IQKJPWUOIIZESF-UHFFFAOYSA-N;128.17;1.28;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC4_SC5";;;;;;;2.97;;0.45;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM398474;MM398474;NN=c1oc(O)c(CO)o1;AOQTWGXGACMNPQ-UHFFFAOYSA-N;146.1;-1.16;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP2_P3";;;;;;;-2.2;;-9.1;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM398475;MM398475;CN(C)CCC1CC1C#N;JUQOLNSKBQSIRW-UHFFFAOYSA-N;138.21;1.1;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1_SN0";;;;;;;0.34;;-3.86;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM398476;MM398476;Cn1c(=N)n(N)n(O)c1=N;USJXFKMGRWNUCQ-UHFFFAOYSA-N;144.14;-2.46;;;;;DOPC;MDCG;27;1;"MARTINI bead: SP3_SP3";;;;;;;-3.07;;-7.43;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM398477;MM398477;CC(C)CCC1NC1C#N;VDZVWDOLNRKUQD-UHFFFAOYSA-N;138.21;1.29;;;;;DOPC;MDCG;27;0;"MARTINI bead: C3_SP2";;;;;;;1.46;;-0.15;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM398478;MM398478;N=c1n(N)c(=N)n(O)n1N;IUHGCDWVFHTWDM-UHFFFAOYSA-N;145.13;-3.29;;;;;DOPC;MDCG;27;1;"MARTINI bead: SP3_SP3";;;;;;;-3.07;;-7.19;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM398479;MM398479;C#CC1NC1CCC(C)C;BFEAQFMPIULOEI-UHFFFAOYSA-N;137.23;1.4;;;;;DOPC;MDCG;27;0;"MARTINI bead: C3_SP2";;;;;;;1.46;;-0.14;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM398480;MM398480;C#CC#Cc1nnn[nH]1;OKGMGRPENGTYBQ-UHFFFAOYSA-N;118.1;-0.82;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNda_SP1";;;;;;;0.04;;-6.84;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM398481;MM398481;N#CC1CC1CCC(=O)O;JIJKSZULVXPXPY-UHFFFAOYSA-N;139.15;1.01;;;;;DOPC;MDCG;27;-1;"MARTINI bead: P1_SN0";;;;;;;0.34;;-6.18;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM398482;MM398482;C=CC(=NN=CN)C(C)=O;ORHOFFXTJFHDKS-UHFFFAOYSA-N;139.16;0.1;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_Nd";;;;;;;0.87;;-1.88;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM398483;MM398483;N#CC1CC1CNC(N)=O;BWOPJAZAYULWRR-UHFFFAOYSA-N;139.16;-0.19;;;;;DOPC;MDCG;27;0;"MARTINI bead: P4_SN0";;;;;;;-0.88;;-3.74;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM398484;MM398484;CC=NN=c1onc(N)o1;COTFJLVZZPRCLQ-UHFFFAOYSA-N;142.12;-0.24;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_SP3";;;;;;;-1.93;;-4.72;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM398485;MM398485;NN=c1cc(F)ncn1N;QAXKHJJLEKRFMC-UHFFFAOYSA-N;143.13;-1.49;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNa_SP3";;;;;;;-1.1;;-4.2;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM398486;MM398486;Cc1n[nH]c(=NO)o1;YUFYMPUTDBUCOZ-UHFFFAOYSA-N;115.09;-0.4;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP1_SP3";;;;;;;-1.93;;-8.61;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM398487;MM398487;C#CC1CN1C=NN(C)C;LPZDVFGRTCIPQC-UHFFFAOYSA-N;137.19;-0.19;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_SP1";;;;;;;-1.06;;-3.82;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM398488;MM398488;CON=C(N)C(=O)O;BRXPBXVCBBXWTA-UHFFFAOYSA-N;118.09;-1.01;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_P1";;;;;;;-1.06;;-7.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM398489;MM398489;C#CC1CN1N=CN(C)C;MBABOZSCIZYYCC-UHFFFAOYSA-N;137.19;-0.19;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1_SP2";;;;;;;-1.06;;-5.32;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM398490;MM398490;CN=c1c(=O)nn[nH]n1C;CXWOCODQQOVXHS-UHFFFAOYSA-N;141.13;-1.97;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP3_SP1";;;;;;;-1.93;;-8.61;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM398491;MM398491;Cc1cnn(C)c(=NN)c1;MUJDGINRVFNUKQ-UHFFFAOYSA-N;138.17;-0.5;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP1_SP2";;;;;;;-1.06;;-3.82;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM398492;MM398492;Cn1nnc(N)cc1=NN;QMPQBYYFZPQPJM-UHFFFAOYSA-N;140.15;-1.83;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP2_SP2";;;;;;;-1.34;;-4.31;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM398493;MM398493;C=CC1CN1C=CC(=N)N;YRJPVWDAGYMGTN-UHFFFAOYSA-N;137.19;0.31;;;;;DOPC;MDCG;27;1;"MARTINI bead: P2_SNd";;;;;;;-0.24;;-7.65;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM398494;MM398494;C=Nn1[nH]c(=O)n(N)c1=O;RNQJZEAWXFZIRZ-UHFFFAOYSA-N;143.11;-2.48;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP3_SP2";;;;;;;-2.2;;-9.1;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM398495;MM398495;C#CC1NC1C=CC(=C)C;SXNUFYDLUHUEAS-UHFFFAOYSA-N;133.19;1.09;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4_SP2";;;;;;;1.09;;-0.37;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM398496;MM398496;N=NC(N)=C(NO)C(=O)O;IYOASBIQRKIMOY-UHFFFAOYSA-N;146.11;-0.79;;;;;DOPC;MDCG;27;0;"MARTINI bead: P4_P1";;;;;;;-2.01;;-8.82;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM398497;MM398497;C#CC1CN1C=CC(C)=O;SIFDUQQPLVABIY-UHFFFAOYSA-N;135.17;0.41;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_SP1";;;;;;;-0.79;;-3.13;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM398498;MM398498;N=CNC(=O)CC(=O)O;KLMBYWYMXXEDHU-UHFFFAOYSA-N;130.1;-0.82;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_P4";;;;;;;-2.01;;-8.82;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM398499;MM398499;Cn1ncc(N)cc1=NN;USVMVSMOAYHGIQ-UHFFFAOYSA-N;139.16;-1.22;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP1_SP2";;;;;;;-1.06;;-3.82;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM398500;MM398500;NC(=CC(=O)O)OCCO;FGFAHUQEJXJDDB-UHFFFAOYSA-N;147.13;-1.12;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_P1";;;;;;;-1.06;;-7.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM398501;MM398501;C#CC1CN1N=CC(=C)C;ZLUCCCRRGIBGMY-UHFFFAOYSA-N;134.18;0.87;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4_SP2";;;;;;;1.09;;-0.38;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM398502;MM398502;COCOC(N)=CC(=O)O;VQDSVNCXBXSFLP-UHFFFAOYSA-N;147.13;-0.51;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_P1";;;;;;;-0.79;;-7.26;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM398503;MM398503;C#CC1CN1N=CC(=C)F;DMRIHESZJCUDJU-UHFFFAOYSA-N;138.15;0.77;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_SP2";;;;;;;0.54;;-1.09;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM398504;MM398504;C=C1C(=C)C(C)C(C)C1=C;MUFXXQYRFOVQRL-UHFFFAOYSA-N;134.22;2.94;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC3_SC3";;;;;;;4.27;;0.2;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM398505;MM398505;CCC1CC1C#CC(C)=O;DFZCQQYRRITYDR-UHFFFAOYSA-N;136.19;1.62;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC3_Na";;;;;;;2.57;;0.45;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM398506;MM398506;C=C1C(=O)C(=C)C(C)C1C;NQKUIBXXYWIVQT-UHFFFAOYSA-N;136.19;1.95;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC2_SNa";;;;;;;2.83;;0.35;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM398507;MM398507;CCC1OC1C#CC(C)=O;MSJZPDOSUCDPDH-UHFFFAOYSA-N;138.17;0.76;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNa_Na";;;;;;;0.87;;-2.22;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM398508;MM398508;C=C1C(=C)C(C)C(C)C1=O;GEDMPNHVHNSFDZ-UHFFFAOYSA-N;136.19;1.95;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNa_SC3";;;;;;;2.57;;0.45;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM398509;MM398509;Cn1ncc(F)cc1=NN;MXTNBMXJUMROGX-UHFFFAOYSA-N;142.14;-0.67;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP1_SP2";;;;;;;-1.06;;-3.82;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM398510;MM398510;C=C1C(=O)C(=O)C(C)C1C;XDVNZLQWNLDCGI-UHFFFAOYSA-N;138.17;0.97;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNa_SC3";;;;;;;2.57;;0.45;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM398511;MM398511;CC(=O)C#CC1CC1C=O;QBJLVQTWZYNJDM-UHFFFAOYSA-N;136.15;0.41;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_SNa";;;;;;;0.87;;-2.22;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM398512;MM398512;C=C1C(=C)C(C)N(C)C1=N;WRXUMBCZLGBLAJ-UHFFFAOYSA-N;136.2;1.41;;;;;DOPC;MDCG;27;1;"MARTINI bead: SNd_SP1";;;;;;;0.04;;-6.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM398513;MM398513;CC(=O)C#CC1CN1C=O;DRBHWTCVODKFBI-UHFFFAOYSA-N;137.14;-0.58;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_SP2";;;;;;;-0.24;;-3.24;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM398514;MM398514;C=C1C(=O)C(=N)N(C)C1C;WKQYMZOYRSKMHL-UHFFFAOYSA-N;138.17;0.42;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNd_SP2";;;;;;;-0.24;;-3.16;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM398515;MM398515;Cc1cc(=NN)n(C)nn1;ZEGHHIDNPJRFKX-UHFFFAOYSA-N;139.16;-1.1;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP1_SP2";;;;;;;-1.06;;-3.82;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM398516;MM398516;C=C1C(=C)C(C)N(N)C1=N;DEXZICWWSYWUHY-UHFFFAOYSA-N;137.19;0.65;;;;;DOPC;MDCG;27;1;"MARTINI bead: SP1_SP1";;;;;;;-0.79;;-4.78;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM398517;MM398517;C#CC1CC1C#CC(C)=O;BHWPCIASRRVAHX-UHFFFAOYSA-N;132.16;0.85;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_SC5";;;;;;;1.64;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM398518;MM398518;C=C1C(=N)N(C)N(C)C1=N;YRYZHSHKFOJVKI-UHFFFAOYSA-N;138.17;0.29;;;;;DOPC;MDCG;27;1;"MARTINI bead: SP2_SP2";;;;;;;-1.34;;-5.41;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM398519;MM398519;C#CC1OC1C#CC(N)=O;IRSIACKCYPLJDB-UHFFFAOYSA-N;135.12;-1.12;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_SNa";;;;;;;-0.24;;-3.24;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM398520;MM398520;C=C1C(=C)C(C)C(=C)C1C;NFTMTFKJUSJZHT-UHFFFAOYSA-N;134.22;2.94;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC3_SC3";;;;;;;4.27;;0.2;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM398521;MM398521;Nn1onc(O)c1=O;TZKDDORBBACHTM-UHFFFAOYSA-N;117.06;-1.74;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP3_SP1";;;;;;;-1.93;;-8.89;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM398522;MM398522;C=C1C(=O)C(C)C(=C)C1C;MWOHYBSDNPZWCI-UHFFFAOYSA-N;136.19;1.95;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC3_SNa";;;;;;;2.57;;0.45;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM398523;MM398523;Oc1cc(O)[nH]n1;BLZBTELUFMBNLX-UHFFFAOYSA-N;100.08;-0.18;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP1_SP1";;;;;;;-0.79;;-7.81;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM398524;MM398524;C=C1C(=C)C(N)C(=C)C1C;JBGVBRKTWASFTA-UHFFFAOYSA-N;135.21;1.63;;;;;DOPC;MDCG;27;1;"MARTINI bead: SC3_SNd";;;;;;;2.57;;-0.65;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM398525;MM398525;C#CC(C)(ON=C)C(=O)O;BLZYCJMYYLQFEB-UHFFFAOYSA-N;141.13;0.1;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_P1";;;;;;;0.04;;-7.21;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM398526;MM398526;C=C1C(=O)C(C)C(=O)C1C;ZAMOASNJKKFIKS-UHFFFAOYSA-N;138.17;0.97;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNa_SNa";;;;;;;0.87;;-2.22;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM398527;MM398527;CC=NNCC(=NN)NN;CXTGVYOVZOBUHG-UHFFFAOYSA-N;144.18;-1.68;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nd_P4";;;;;;;-1.19;;-4.91;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM398528;MM398528;C=C1C(=N)N(C)C(=C)C1C;DCPXYRAUDXNERZ-UHFFFAOYSA-N;136.2;1.62;;;;;DOPC;MDCG;27;1;"MARTINI bead: SN0_SNd";;;;;;;1.17;;-5.08;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM398529;MM398529;CC=COC(=CN)C(=O)O;ZSZLWRGICCKALY-UHFFFAOYSA-N;143.14;0.42;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_P1";;;;;;;0.81;;-5.13;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM398530;MM398530;C=C1C(=O)N(C)C(=C)C1C;UCGRMSBXXWDGOW-UHFFFAOYSA-N;137.18;1.16;;;;;DOPC;MDCG;27;0;"MARTINI bead: SN0_SNda";;;;;;;1.17;;-1.13;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM398531;MM398531;CC(=O)N(C)C(=O)C(=O)O;GQGUBYSXXQOIQF-UHFFFAOYSA-N;145.11;-0.92;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_P2";;;;;;;-0.24;;-7.84;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM398532;MM398532;C=C1C(=N)N(N)C(=C)C1C;IVPMQCYTCCHQKT-UHFFFAOYSA-N;137.19;0.86;;;;;DOPC;MDCG;27;1;"MARTINI bead: SN0_SP1";;;;;;;0.34;;-4.37;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM398533;MM398533;CC(=O)CC#CC(=O)O;SXEQUWDJHOWACY-UHFFFAOYSA-N;126.11;0.05;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_P1";;;;;;;0.04;;-7.22;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM398534;MM398534;C=NN1CC(C#CC#N)C1;KRYABLSMZQKZFS-UHFFFAOYSA-N;133.15;0.06;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP1_SP1";;;;;;;-0.79;;-3.13;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM398535;MM398535;NN=CCNC(CF)=NN;FFSOFLNZLSASHJ-UHFFFAOYSA-N;147.16;-1.24;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nd_P2";;;;;;;-0.24;;-3.16;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM398536;MM398536;C=C1C(=N)N(O)C(=C)C1C;XDNUSBXYAFWRAD-UHFFFAOYSA-N;138.17;1.37;;;;;DOPC;MDCG;27;1;"MARTINI bead: SN0_SP1";;;;;;;0.34;;-2.97;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM398537;MM398537;C#CC=CNC(CF)=NN;VIPCEUIWCKTOMQ-UHFFFAOYSA-N;141.15;-0.04;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_Nd";;;;;;;0.87;;-1.88;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM398538;MM398538;CCC1=CC2C(C1)C2(C)O;DRFQLBZVXSELEM-UHFFFAOYSA-N;138.21;1.72;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC2_SNda";;;;;;;2.83;;0.57;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM398539;MM398539;N=c1ncnnc(=NO)[nH]1;SHJIKBFLFITXLE-UHFFFAOYSA-N;140.11;-2.03;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP5_SP4";;;;;;;-3.17;;-8.53;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM398540;MM398540;C=C1C(=C)N(C)C(=N)C1C;JINYQYZZEAJVOQ-UHFFFAOYSA-N;136.2;1.62;;;;;DOPC;MDCG;27;1;"MARTINI bead: SN0_SNd";;;;;;;1.17;;-4.45;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM398541;MM398541;O=C(O)n1cnncc1=O;NKVYQGRDARMDSH-UHFFFAOYSA-N;141.09;-0.84;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP4_SP2";;;;;;;-2.29;;-9.59;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM398542;MM398542;C=C1C(=N)N(C)C(=N)C1C;ZGQKYJKNABGWCB-UHFFFAOYSA-N;137.19;1.08;;;;;DOPC;MDCG;27;1;"MARTINI bead: SNd_SNd";;;;;;;0.87;;-4.19;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM398543;MM398543;CC(=O)C(=O)NOCC#N;PESMDXPWNNYUKE-UHFFFAOYSA-N;142.11;-0.85;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_P2";;;;;;;-0.24;;-7.84;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM398544;MM398544;C=C1C(=O)N(C)C(=N)C1C;QVSPNEPBBBKIOK-UHFFFAOYSA-N;138.17;0.63;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNda_SNd";;;;;;;0.87;;-1.92;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM398545;MM398545;O=c1oc(O)c(CO)o1;IWEXAQZVFRDQBN-UHFFFAOYSA-N;132.07;-0.57;;;;;DOPC;MDCG;27;0;"MARTINI bead: P3_SP2";;;;;;;-2.2;;-9.41;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM398546;MM398546;C=C1C(=C)N(N)C(=N)C1C;QUBHIFYGWMZEME-UHFFFAOYSA-N;137.19;0.86;;;;;DOPC;MDCG;27;1;"MARTINI bead: SNd_SNd";;;;;;;0.87;;-4.43;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM398547;MM398547;CN=c1nnnnc(=N)[nH]1;WPWFTPNVLXEOEK-UHFFFAOYSA-N;139.12;-2.4;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP3_SP4";;;;;;;-3.15;;-6.87;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM398548;MM398548;C=C1C(=O)N(N)C(=N)C1C;LMVAKSLZJKHQCY-UHFFFAOYSA-N;139.16;-0.13;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP1_SNd";;;;;;;0.04;;-2.63;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM398549;MM398549;N=c1nnnnc(=NN)[nH]1;NLIJCDADRXAXQY-UHFFFAOYSA-N;140.11;-3.15;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP5_SP4";;;;;;;-3.17;;-8.53;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM398550;MM398550;C=C1C(=C)N(C)C(=O)C1C;XRLFHFVYWHHDQT-UHFFFAOYSA-N;137.18;1.16;;;;;DOPC;MDCG;27;0;"MARTINI bead: SN0_SNda";;;;;;;1.17;;-1.13;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM398551;MM398551;N=c1nnnnc(=NO)[nH]1;JLYDLTJXDQXTQB-UHFFFAOYSA-N;141.09;-2.64;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP3_SP4";;;;;;;-3.15;;-6.87;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM398552;MM398552;C=C1C(=O)N(C)C(=O)C1C;ZRJKQQBZEHNMEL-UHFFFAOYSA-N;139.15;0.18;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNda_SP1";;;;;;;0.04;;-2.73;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM398553;MM398553;C#Cc1noc(C#N)c1O;MVASLZGMMBNVOC-UHFFFAOYSA-N;134.09;0.23;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNa_SNda";;;;;;;0.87;;-6.71;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM398554;MM398554;C=C1C(=N)N(C)C(=C)C1N;XDAGHXLJOAWEDD-UHFFFAOYSA-N;137.19;0.31;;;;;DOPC;MDCG;27;1;"MARTINI bead: SNd_SP2";;;;;;;-0.24;;-6.69;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM398555;MM398555;OCc1nnn(O)c1O;CCERXWCUNNJETE-UHFFFAOYSA-N;131.09;-1.29;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP2_SP2";;;;;;;-1.34;;-8.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM398556;MM398556;C=C1C(=C)N(C)C(=N)C1N;VXCKAEQHZGQHMG-UHFFFAOYSA-N;137.19;0.31;;;;;DOPC;MDCG;27;1;"MARTINI bead: SP2_SN0";;;;;;;0.06;;-4.17;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM398557;MM398557;N=c1nc(F)c(=O)nn[nH]1;YKQOUQSHYFCTNG-UHFFFAOYSA-N;143.08;-1.82;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP3_SP3";;;;;;;-3.07;;-10.16;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM398558;MM398558;C=C1N(C)C(=N)C(=N)N1C;KJFHICQANDSZJR-UHFFFAOYSA-N;138.17;0.29;;;;;DOPC;MDCG;27;1;"MARTINI bead: SP1_SP3";;;;;;;-1.93;;-7.09;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM398559;MM398559;CC(C)NCC(N)C1CC1;KMYPRDWTLOOORU-UHFFFAOYSA-N;142.25;0.72;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_SNd";;;;;;;0.87;;-5.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM398560;MM398560;C=c1c(=C)n(C)c(=N)n1C;GQCGPKPGGOUCTJ-UHFFFAOYSA-N;137.19;-1.34;;;;;DOPC;MDCG;27;1;"MARTINI bead: SP1_SP1";;;;;;;-0.79;;-7.27;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM398561;MM398561;CC(N)CCN(C)C1CC1;IGNPKTNIQPYBHX-UHFFFAOYSA-N;142.25;0.82;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_SNd";;;;;;;0.87;;-4.89;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM398562;MM398562;C=C1C(=N)N(C)C(=N)N1C;WSOZTHMFCQXOPU-UHFFFAOYSA-N;138.17;0.29;;;;;DOPC;MDCG;27;1;"MARTINI bead: SP1_SP1";;;;;;;-0.79;;-6.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM398563;MM398563;CC(O)CCN(C)C1CC1;KUFOUABRFJIDSH-UHFFFAOYSA-N;143.23;0.85;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nda_SNd";;;;;;;0.87;;-3.72;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM398564;MM398564;C=c1c(=C)n(N)c(=N)n1C;PTLMEDMWCFLQQY-UHFFFAOYSA-N;138.17;-2.16;;;;;DOPC;MDCG;27;1;"MARTINI bead: SP2_SP2";;;;;;;-1.34;;-7.93;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM398565;MM398565;CN(C)CCN(C)C1CC1;LMDNXCYBNMBAMP-UHFFFAOYSA-N;142.25;0.64;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_SNd";;;;;;;0.87;;-3.76;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM398566;MM398566;C=c1c(=C)n(O)c(=N)n1C;LDZBNTUEYCMSRL-UHFFFAOYSA-N;139.16;-1.64;;;;;DOPC;MDCG;27;1;"MARTINI bead: SP2_SP2";;;;;;;-1.34;;-6.41;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM398567;MM398567;CC(CCN(C)C)N1CC1;ZAIICTKPONFCFY-UHFFFAOYSA-N;142.25;0.64;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_SNd";;;;;;;0.87;;-4.07;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM398568;MM398568;C=c1c(=C)n(C)c(=O)n1C;UIWUTLFLZQKEST-UHFFFAOYSA-N;138.17;-1.46;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP2_SP1";;;;;;;-1.06;;-3.82;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM398569;MM398569;CC(=O)CCC(C)C1CC1;IGJRGAGZUTYQEZ-UHFFFAOYSA-N;140.23;2.4;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_SC3";;;;;;;2.57;;0.45;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM398570;MM398570;C=c1c(=C)n(N)c(=N)n1N;BPHXKAQNPMPTOX-UHFFFAOYSA-N;139.16;-2.98;;;;;DOPC;MDCG;27;1;"MARTINI bead: SP2_SP2";;;;;;;-1.34;;-7.48;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM398571;MM398571;C=C(C)OCC(C)C1CC1;SHIXIFVZQXZDIB-UHFFFAOYSA-N;140.23;2.58;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_SC3";;;;;;;3.34;;0.48;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM398572;MM398572;C=c1c(=C)n(O)c(=N)n1N;UTWSQUVBJSKVDR-UHFFFAOYSA-N;140.15;-2.46;;;;;DOPC;MDCG;27;1;"MARTINI bead: SP1_SP2";;;;;;;-1.06;;-5.45;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM398573;MM398573;CC(=O)OCC(C)C1CC1;SFCOBTOSPJDJBI-UHFFFAOYSA-N;142.2;1.6;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_SC3";;;;;;;2.57;;0.45;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM398574;MM398574;C=c1c(=C)n(N)c(=O)n1N;FDFDEZYORIQCEY-UHFFFAOYSA-N;140.15;-3.1;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP2_SP3";;;;;;;-2.2;;-5.19;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM398575;MM398575;CC(COC(=N)N)C1CC1;DKLSFYLXVJISIZ-UHFFFAOYSA-N;142.2;0.94;;;;;DOPC;MDCG;27;1;"MARTINI bead: P2_SC3";;;;;;;1.46;;-2.04;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM398576;MM398576;C=C(OC(C)=O)C(=O)O;CFVZILWIXKITDD-UHFFFAOYSA-N;130.1;0.15;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_Nda";;;;;;;0.87;;-6.14;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM398577;MM398577;CN(C)CCC(=N)N1CC1;OXPUABIWOSHWOD-UHFFFAOYSA-N;141.22;0.23;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_SP2";;;;;;;-0.24;;-7.12;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM398578;MM398578;C=C1C(=C)C(=C)C(C)C1=C;ZMHOKBOVAXAPPB-UHFFFAOYSA-N;132.21;2.86;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC4_SC3";;;;;;;3.9;;0.47;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM398579;MM398579;C=C(C)CCC(=N)N1CC1;YWBIJGKIUBXVNL-UHFFFAOYSA-N;138.21;1.64;;;;;DOPC;MDCG;27;1;"MARTINI bead: C1_SP2";;;;;;;1.8;;-3.02;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM398580;MM398580;C=C1C(=C)C(C)C(=C)C1=O;ITZOSJWGPNBVPG-UHFFFAOYSA-N;134.18;1.87;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC3_SNa";;;;;;;2.57;;0.45;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM398581;MM398581;CC(C)C=CC(N)C1CN1;IAYQUIPLPQNBOO-UHFFFAOYSA-N;140.23;0.5;;;;;DOPC;MDCG;27;1;"MARTINI bead: C2_SP2";;;;;;;1.72;;-0.98;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM398582;MM398582;C=C1C(=O)C(=O)C(=C)C1C;KMSZXJGHXGMSGM-UHFFFAOYSA-N;136.15;0.89;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC3_SNa";;;;;;;2.57;;0.45;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM398583;MM398583;CN(C)C=NC(=N)N1CC1;LVOSNHBFOMQOIW-UHFFFAOYSA-N;140.19;-0.17;;;;;DOPC;MDCG;27;1;"MARTINI bead: P2_SP2";;;;;;;-1.34;;-9.21;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM398584;MM398584;C=C1C(=C)C(=O)C(C)C1=C;WQGWTVQLIUDVNE-UHFFFAOYSA-N;134.18;1.87;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC4_SNa";;;;;;;2.2;;0.34;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM398585;MM398585;CC(C)=CCC(=N)N1CC1;YYXHBZDDVHHYND-UHFFFAOYSA-N;138.21;1.64;;;;;DOPC;MDCG;27;1;"MARTINI bead: C1_SP2";;;;;;;1.8;;-2.75;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM398586;MM398586;C=C1C(=O)C(=C)C(C)C1=O;LFMKSORHIQYQHT-UHFFFAOYSA-N;136.15;0.89;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNa_SNa";;;;;;;0.87;;-2.22;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM398587;MM398587;N=C(CC=C(F)F)N1CC1;RIAPUIFTCLJLNV-UHFFFAOYSA-N;146.14;1.45;;;;;DOPC;MDCG;27;1;"MARTINI bead: C4_SP2";;;;;;;1.09;;-4.1;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM398588;MM398588;C=C1C(=O)C(=O)C(=O)C1C;UNXVBRABWOIUGR-UHFFFAOYSA-N;138.12;-0.1;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNa_SNa";;;;;;;0.87;;-2.22;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM398589;MM398589;CC(C)=CNC(=N)N1CC1;GMBQLPVLYLQHDU-UHFFFAOYSA-N;139.2;0.75;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_SP2";;;;;;;-0.24;;-7.62;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM398590;MM398590;C=C1C(=C)C(=O)C(C)C1=O;HQLGLPBWRSICPO-UHFFFAOYSA-N;136.15;0.89;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNa_SNa";;;;;;;0.87;;-2.22;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM398591;MM398591;CC(C)=CNC(=O)N1CC1;FUJMZCJDRKJNPS-UHFFFAOYSA-N;140.19;0.94;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nd_SP2";;;;;;;-0.24;;-3.16;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM398592;MM398592;C=C1C(=C)C(=C)C(N)C1=C;CHXGQLRHVNDHQV-UHFFFAOYSA-N;133.19;1.55;;;;;DOPC;MDCG;27;1;"MARTINI bead: SC4_SNd";;;;;;;2.2;;-1.29;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM398593;MM398593;O=C(NC=C(F)F)N1CC1;OPLMVZMFJURZRH-UHFFFAOYSA-N;148.11;0.75;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nd_SP2";;;;;;;-0.24;;-3.16;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM398594;MM398594;C=C1C(=C)C(=N)N(C)C1=C;MZLLPHKJITXFSD-UHFFFAOYSA-N;134.18;1.54;;;;;DOPC;MDCG;27;1;"MARTINI bead: SN0_SNd";;;;;;;1.17;;-3.8;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM398595;MM398595;CC(C#CC#N)CC1CC1;SIDNPJWAYHCDGE-UHFFFAOYSA-N;133.19;1.95;;;;;DOPC;MDCG;27;0;"MARTINI bead: N0_SC5";;;;;;;1.94;;0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM398596;MM398596;C=C1C(=C)N(C)C(=N)C1=O;UWGWLIYPGZVNJV-UHFFFAOYSA-N;136.15;0.55;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNd_SP2";;;;;;;-0.24;;-3.16;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM398597;MM398597;N#CC#CC(O)CC1CC1;JJXUHFZWXWYQTM-UHFFFAOYSA-N;135.17;0.67;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC5_P1";;;;;;;0.81;;-0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM398598;MM398598;C=C1C(=C)C(=O)N(C)C1=C;SAHRYCCVXVUCGT-UHFFFAOYSA-N;135.17;1.08;;;;;DOPC;MDCG;27;0;"MARTINI bead: SN0_SNda";;;;;;;1.17;;-1.13;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM398599;MM398599;N#CC#CC(O)CC1CO1;ZAWCUQGMUIVRQS-UHFFFAOYSA-N;137.14;-0.34;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNa_P1";;;;;;;0.04;;-2.54;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM398600;MM398600;C=C1C(=C)C(=N)N(C)C1=N;DOAGWEVQQMTGKA-UHFFFAOYSA-N;135.17;1;;;;;DOPC;MDCG;27;1;"MARTINI bead: SP1_SP1";;;;;;;-0.79;;-4.21;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM398601;MM398601;CC(C#CC#N)CN1CC1;OVKXOHREEJUYSQ-UHFFFAOYSA-N;134.18;0.47;;;;;DOPC;MDCG;27;0;"MARTINI bead: N0_SP1";;;;;;;0.34;;-1.53;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM398602;MM398602;C=C1C(=N)N(C)C(=N)C1=O;HRELEVJGPINVDF-UHFFFAOYSA-N;137.14;0.01;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP1_SP2";;;;;;;-1.06;;-3.82;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM398603;MM398603;C#CC#CC(C)CC1CC1;DFQKWVINKRNHGN-UHFFFAOYSA-N;132.21;2.06;;;;;DOPC;MDCG;27;0;"MARTINI bead: C2_SC5";;;;;;;3.6;;0.34;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM398604;MM398604;Cn1c(=N)c(=O)c(=O)c1=N;CYQRBGBJWKNVDL-UHFFFAOYSA-N;139.11;-2.42;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP1_SP2";;;;;;;-1.06;;-3.82;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM398605;MM398605;C#CC#CC(O)CC1CC1;AIDBNNZCRMOVAI-UHFFFAOYSA-N;134.18;0.78;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC5_Nda";;;;;;;1.64;;0.05;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM398606;MM398606;C=C1C(=C)C(=O)N(C)C1=N;QAKPPKKKMUPQGC-UHFFFAOYSA-N;136.15;0.55;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNd_SNda";;;;;;;0.87;;-1.92;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM398607;MM398607;C#CC#CC(C)OC1CC1;QYDFRTNYFHZRBV-UHFFFAOYSA-N;134.18;1.19;;;;;DOPC;MDCG;27;0;"MARTINI bead: C2_SP1";;;;;;;2;;0.29;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM398608;MM398608;Cn1c(=N)c(=O)c(=O)c1=O;LHOQGSAWKZBPPF-UHFFFAOYSA-N;140.1;-2.54;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP2_SP2";;;;;;;-1.34;;-4.31;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM398609;MM398609;C#CC#CC(N)CC1CN1;VXJCXSNXYVRLRK-UHFFFAOYSA-N;134.18;-0.69;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_SP2";;;;;;;-0.24;;-4.32;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM398610;MM398610;C=C1C(=C)C(=O)N(C)C1=O;QKEPXPLODPRGJU-UHFFFAOYSA-N;137.14;0.1;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNda_SP1";;;;;;;0.04;;-2.73;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM398611;MM398611;C=C(C#CC#N)CC1CC1;CYSHYBHGWZEBGJ-UHFFFAOYSA-N;131.18;1.87;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_SC5";;;;;;;2.41;;0.64;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM398612;MM398612;Cn1c(=O)c(=O)c(=O)c1=O;AMOMGMOWXYVNRP-UHFFFAOYSA-N;141.08;-2.66;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP2_SP2";;;;;;;-1.34;;-4.31;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM398613;MM398613;C=CC#CC(=O)CC1CC1;YRCZQGRAFPGVFJ-UHFFFAOYSA-N;134.18;1.55;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_SC5";;;;;;;1.64;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM398614;MM398614;C=C1C(=C)C(=N)N(N)C1=C;JOICEIURNBHNCR-UHFFFAOYSA-N;135.17;0.78;;;;;DOPC;MDCG;27;1;"MARTINI bead: SP1_SP1";;;;;;;-0.79;;-4.81;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM398615;MM398615;N#CC#CC(=O)CC1CC1;HYWGMRCZTSDOIB-UHFFFAOYSA-N;133.15;0.88;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC5_Na";;;;;;;1.64;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM398616;MM398616;C=C1C(=C)C(=O)N(N)C1=O;MITGDTCSHJSILZ-UHFFFAOYSA-N;138.13;-0.66;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP1_SP1";;;;;;;-0.79;;-3.13;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM398617;MM398617;N#CC#CC(=O)NC1CC1;MRTQSWJZGJJRKT-UHFFFAOYSA-N;134.14;-0.21;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP1_Na";;;;;;;0.04;;-2.54;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM398618;MM398618;CC1(O)C2C=C(CF)CC21;QQINCNPUKNLHMA-UHFFFAOYSA-N;142.17;1.28;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNda_SC5";;;;;;;1.64;;0.05;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM398619;MM398619;C=CC#CC(=C)OC1CC1;JHGOSXDNKAJRSU-UHFFFAOYSA-N;134.18;1.87;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_SC5";;;;;;;2.41;;0.64;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM398620;MM398620;C#CC(=NN)N(C=C)NC;RKRURFYJIAPREI-UHFFFAOYSA-N;138.17;-0.53;;;;;DOPC;MDCG;27;0;"MARTINI bead: N0_P3";;;;;;;-0.8;;-2.99;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM398621;MM398621;C=C(C#CC#N)OC1CC1;DGMOYGOEXIDJLH-UHFFFAOYSA-N;133.15;1.21;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_SC5";;;;;;;1.64;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM398622;MM398622;N=c1c(=O)c(=O)c(=N)n1O;SKTJZKAEYKFSKZ-UHFFFAOYSA-N;141.09;-2.72;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP1_SP2";;;;;;;-1.06;;-3.82;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM398623;MM398623;N#CC#CC(=O)OC1CC1;GAIKZLYTXXFJOB-UHFFFAOYSA-N;135.12;0.22;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_SC5";;;;;;;1.64;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM398624;MM398624;C=C1C(=C)C(=C)C(=C)C1=C;RVBXYBDJWKWCLW-UHFFFAOYSA-N;130.19;2.78;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC4_SC4";;;;;;;3.53;;0.53;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM398625;MM398625;C=C(C#CC#N)CC1CO1;ZPMXXIGUGMXPES-UHFFFAOYSA-N;133.15;0.86;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_SP1";;;;;;;0.81;;-0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM398626;MM398626;C=C1C(=C)C(=C)C(=O)C1=C;IUYZMCKLZMSFSK-UHFFFAOYSA-N;132.16;1.79;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC4_SNa";;;;;;;2.2;;0.34;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM398627;MM398627;C=C(C#CC#N)CN1CC1;ULDLGHWSOCESEI-UHFFFAOYSA-N;132.17;0.39;;;;;DOPC;MDCG;27;0;"MARTINI bead: N0_SP1";;;;;;;0.34;;-1.53;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM398628;MM398628;C=C1C(=C)C(=O)C(=O)C1=C;DBIFSNRZYAHULW-UHFFFAOYSA-N;134.13;0.81;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNa_SC4";;;;;;;2.2;;0.34;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM398629;MM398629;CCNN=CC(=NN)OC;UVAOHOIETMLBOW-UHFFFAOYSA-N;144.18;-0.5;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_Nda";;;;;;;0.04;;-2.73;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM398630;MM398630;C=C1C(=C)C(=O)C(=C)C1=O;FAOVDKNOBPYTAN-UHFFFAOYSA-N;134.13;0.81;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNa_SNa";;;;;;;0.87;;-2.22;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM398631;MM398631;N#CC#CC(=O)NN1CC1;LCADJPWDKSTZJW-UHFFFAOYSA-N;135.13;-1.14;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_SP3";;;;;;;-1.1;;-4.2;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM398632;MM398632;CC1=C(C)C(C)C(C)C1C;ZTKTZVXSSKVBTH-UHFFFAOYSA-N;138.25;3.24;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC1_SC4";;;;;;;4.24;;0.42;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM398633;MM398633;C#CC#CC(=C)CC1CC1;CXPYVYJWJRMVOD-UHFFFAOYSA-N;130.19;1.98;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4_SC5";;;;;;;2.97;;0.45;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM398634;MM398634;CC1=C(C)C(N)C(C)C1C;JRQIDJWYPPMVDI-UHFFFAOYSA-N;139.24;1.94;;;;;DOPC;MDCG;27;1;"MARTINI bead: SC1_SNd";;;;;;;2.91;;-0.33;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM398635;MM398635;C#CC#CC(=O)CC1CC1;AAXMJAHMXDXCJU-UHFFFAOYSA-N;132.16;0.99;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC5_Na";;;;;;;1.64;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM398636;MM398636;C#CC(C#C)NC=NNC;JKIQLMPSXMIQCH-UHFFFAOYSA-N;135.17;-0.63;;;;;DOPC;MDCG;27;0;"MARTINI bead: P3_N0";;;;;;;-0.8;;-2.99;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM398637;MM398637;C#CC#CC(=N)NC1CC1;SLIBELXELQOQEX-UHFFFAOYSA-N;132.17;0.35;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1_SC5";;;;;;;0.81;;-1.93;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM398638;MM398638;CC1=C(C)C(C)C(N)C1C;ZADCVLBWEOFZMH-UHFFFAOYSA-N;139.24;1.94;;;;;DOPC;MDCG;27;1;"MARTINI bead: SNd_SC1";;;;;;;2.91;;-0.78;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM398639;MM398639;C#CC#CC(=O)NC1CC1;FWAJXGGNXOCCBJ-UHFFFAOYSA-N;133.15;-0.1;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda_SC5";;;;;;;1.64;;0.05;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM398640;MM398640;CC1=C(C)C(N)C(N)C1C;JTKWUYYFJUTKIR-UHFFFAOYSA-N;140.23;0.63;;;;;DOPC;MDCG;27;1;"MARTINI bead: SNd_SNd";;;;;;;0.87;;-4.46;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM398641;MM398641;C#CC#CC(=C)OC1CC1;FTPIIDWDJUXXGT-UHFFFAOYSA-N;132.16;1.32;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_SC5";;;;;;;1.64;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM398642;MM398642;CC1=C(C)C(C)N(C)C1C;FQRHZNHEPMFYPG-UHFFFAOYSA-N;139.24;2.05;;;;;DOPC;MDCG;27;1;"MARTINI bead: SNd_SP1";;;;;;;0.04;;-5.39;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM398643;MM398643;C#CC#CC(=O)OC1CC1;UTHVEPFHCKQSFX-UHFFFAOYSA-N;134.13;0.33;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_SC5";;;;;;;1.64;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM398644;MM398644;C=C1C(C)=C(C)C(C)C1C;JIUIPTZTHJHGGG-UHFFFAOYSA-N;136.24;3.16;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC3_SC1";;;;;;;4.61;;0.31;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM398645;MM398645;C#CC#CC(=C)CC1CO1;KYILEWLWQRGRJP-UHFFFAOYSA-N;132.16;0.97;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4_SP1";;;;;;;1.37;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM398646;MM398646;C=C1C(C)=C(F)C(C)C1C;LJJBCIIJZWMCMY-UHFFFAOYSA-N;140.2;3.07;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC3_SC4";;;;;;;3.9;;0.47;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM398647;MM398647;C#CC#CC(=O)CC1CO1;NWYKXHCOUOQVSO-UHFFFAOYSA-N;134.13;-0.02;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNa_Na";;;;;;;0.87;;-2.22;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM398648;MM398648;CC1=C(C)C(C)C(C)C1=O;ARUAYSANQMCCEN-UHFFFAOYSA-N;138.21;2.18;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNa_SC1";;;;;;;2.91;;0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM398649;MM398649;C#CC#CC(=C)CN1CC1;JSJGZHGVPLQEES-UHFFFAOYSA-N;131.18;0.49;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4_SP1";;;;;;;1.37;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM398650;MM398650;CC1=C(N)C(C)C(C)C1=O;UDHQOLOXRWIHHB-UHFFFAOYSA-N;139.2;1.07;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNa_SNd";;;;;;;0.87;;-1.88;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM398651;MM398651;CCC(CF)N(N)C=NN;AUQWLPCNKHAQAG-UHFFFAOYSA-N;148.19;-0.19;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_P1";;;;;;;0.04;;-2.54;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM398652;MM398652;C=C1C(C)=C(C)C(N)C1C;RIYPJWJYFRAHEL-UHFFFAOYSA-N;137.23;1.86;;;;;DOPC;MDCG;27;1;"MARTINI bead: SNd_SC3";;;;;;;2.57;;-1.21;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM398653;MM398653;C#CC#CC(=O)NN1CC1;QUYITCWLSVKCNV-UHFFFAOYSA-N;134.14;-1.03;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP3_Na";;;;;;;-1.1;;-4.2;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM398654;MM398654;C=C1C(C)=C(C)C(C)C1N;WYNWCPRBWKTQRE-UHFFFAOYSA-N;137.23;1.86;;;;;DOPC;MDCG;27;1;"MARTINI bead: SNd_SC1";;;;;;;2.91;;-0.25;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM398655;MM398655;CCC#CC(C)=CC1CC1;KOFBYPFBDOBHMR-UHFFFAOYSA-N;134.22;2.76;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1_SC5";;;;;;;3.68;;0.46;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM398656;MM398656;Cc1c(O)c(C)n(C)c1C;GLDAJXOTBRHOLK-UHFFFAOYSA-N;139.2;1.66;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC5_SNda";;;;;;;1.64;;0.05;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM398657;MM398657;CCC#CC(C)=CC1CO1;VJVCKFSIWJHDIN-UHFFFAOYSA-N;136.19;1.74;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1_SP1";;;;;;;2.08;;0.48;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM398658;MM398658;Cc1c(O)c(C)n(C)c1N;ACBQZXUOECUKBJ-UHFFFAOYSA-N;140.19;0.93;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNd_SNda";;;;;;;0.87;;-1.92;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM398659;MM398659;C=CC#CC(C)=CC1CC1;MLAVAOYJBRLBKX-UHFFFAOYSA-N;132.21;2.53;;;;;DOPC;MDCG;27;0;"MARTINI bead: C3_SC5";;;;;;;3.34;;0.48;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM398660;MM398660;N#CC#CC(F)=CC1CN1;QZZYXDGUTVFVFY-UHFFFAOYSA-N;136.13;0.34;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_SP2";;;;;;;0.54;;-1.09;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM398661;MM398661;Cc1c(O)c(F)c(N)n1C;MXUOHGISFWWORD-UHFFFAOYSA-N;144.15;0.76;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNda_SNd";;;;;;;0.87;;-1.92;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM398662;MM398662;C#CC#CC(F)=CC1CC1;RCJBOYKSPUTVOP-UHFFFAOYSA-N;134.15;1.89;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4_SC5";;;;;;;2.97;;0.45;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM398663;MM398663;CC1=C(C)C(C)N(C)C1=N;YLYKWSWFIRYVST-UHFFFAOYSA-N;138.21;1.63;;;;;DOPC;MDCG;27;1;"MARTINI bead: SP1_SN0";;;;;;;0.34;;-5.27;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM398664;MM398664;CC(O)C#CC=CC1CC1;AEJFCFYKZBZKRB-UHFFFAOYSA-N;136.19;1.34;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_SC4";;;;;;;1.37;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM398665;MM398665;CC1=C(N)C(C)N(C)C1=N;FGCBKLCQPCGSOG-UHFFFAOYSA-N;139.2;0.53;;;;;DOPC;MDCG;27;1;"MARTINI bead: SNd_SP2";;;;;;;-0.24;;-6.32;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM398666;MM398666;CC(C)C#CC#CC1CC1;JSENTWOIEGGHDX-UHFFFAOYSA-N;132.21;2.06;;;;;DOPC;MDCG;27;0;"MARTINI bead: C2_SC5";;;;;;;3.6;;0.34;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM398667;MM398667;Cc1c(C)n(C)n(C)c1=N;LZMMUQXXZPBRSX-UHFFFAOYSA-N;139.2;0.46;;;;;DOPC;MDCG;27;1;"MARTINI bead: SN0_SP2";;;;;;;0.06;;-6.6;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM398668;MM398668;CC(F)C#CC#CC1CC1;GOHGRDVGTFPPSJ-UHFFFAOYSA-N;136.17;1.76;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4_SC5";;;;;;;2.97;;0.45;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM398669;MM398669;Cc1c(N)c(=N)n(C)n1C;MNDJTIVUVVLRAY-UHFFFAOYSA-N;140.19;-0.27;;;;;DOPC;MDCG;27;1;"MARTINI bead: SP1_SP2";;;;;;;-1.06;;-6.19;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM398670;MM398670;FC(F)C#CC#CC1CC1;MALUUWUQYAFBFU-UHFFFAOYSA-N;140.13;1.67;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4_SC5";;;;;;;2.97;;0.45;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM398671;MM398671;Cc1c(N)n(C)n(C)c1=N;HSYUXGMDQTZLJI-UHFFFAOYSA-N;140.19;-0.27;;;;;DOPC;MDCG;27;1;"MARTINI bead: SP1_SP2";;;;;;;-1.06;;-8.17;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM398672;MM398672;CC(C)C#CC#CC1CN1;NYZSHFSLCMYSIW-UHFFFAOYSA-N;133.19;0.62;;;;;DOPC;MDCG;27;0;"MARTINI bead: C2_SP1";;;;;;;2;;0.31;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM398673;MM398673;Cn1c(N)c(N)c(=N)n1C;LFYWFAAERMQMGI-UHFFFAOYSA-N;141.18;-0.99;;;;;DOPC;MDCG;27;1;"MARTINI bead: SP2_SP2";;;;;;;-1.34;;-6.68;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM398674;MM398674;CC(F)C#CC#CC1CN1;IUBZTHWGPRNUTN-UHFFFAOYSA-N;137.16;0.32;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4_SP1";;;;;;;1.37;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM398675;MM398675;Cn1c(N)c(O)c(=N)n1C;KACDGAJCMYXMOC-UHFFFAOYSA-N;142.16;-0.87;;;;;DOPC;MDCG;27;1;"MARTINI bead: SP1_SP2";;;;;;;-1.06;;-8.79;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM398676;MM398676;NN=CN(N)C(CF)CF;IKOYZKUQEDGGOD-UHFFFAOYSA-N;152.15;-0.63;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_Na";;;;;;;-0.24;;-3.24;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM398677;MM398677;Cc1c(F)n(C)n(C)c1=N;CXSLKPFCJNSCLD-UHFFFAOYSA-N;143.17;0.29;;;;;DOPC;MDCG;27;1;"MARTINI bead: SNa_SP2";;;;;;;-0.24;;-5.65;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM398678;MM398678;CC(F)C#CC#CC1CO1;LRHROXPUYSIAPR-UHFFFAOYSA-N;138.14;0.75;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4_SNa";;;;;;;2.2;;0.34;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM398679;MM398679;Cn1c(F)c(F)c(=N)n1C;RQZDJZVBSYETCN-UHFFFAOYSA-N;147.13;0.12;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNa_SP3";;;;;;;-1.1;;-4.2;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM398680;MM398680;Cc1c(C)n(C)n(C)c1=O;CXRYULZRMNCUBK-UHFFFAOYSA-N;140.19;0.34;;;;;DOPC;MDCG;27;0;"MARTINI bead: SN0_SP2";;;;;;;0.06;;-2.21;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM398681;MM398681;FC(F)C#CC#CC1CO1;LFNJOPBXWSAAQL-UHFFFAOYSA-N;142.1;0.66;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4_SNa";;;;;;;2.2;;0.34;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM398682;MM398682;Cc1c(N)c(=O)n(C)n1C;WPMVPXQSYCMWSY-UHFFFAOYSA-N;141.17;-0.39;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP1_SP2";;;;;;;-1.06;;-3.82;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM398683;MM398683;C=C(C)C#CC#CC1CC1;QKVQCSJKFAZRBB-UHFFFAOYSA-N;130.19;1.98;;;;;DOPC;MDCG;27;0;"MARTINI bead: C3_SC5";;;;;;;3.34;;0.48;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM398684;MM398684;Cc1c(F)c(=O)n(C)n1C;DHLRDQCPRWIYFC-UHFFFAOYSA-N;144.15;0.17;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNa_SP2";;;;;;;-0.24;;-3.24;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM398685;MM398685;CC(=O)C#CC#CC1CC1;YJRFTOROERJZNY-UHFFFAOYSA-N;132.16;0.99;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_SC5";;;;;;;1.64;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM398686;MM398686;Cc1c(N)n(C)n(C)c1=O;MOCQOPVBGCFSMS-UHFFFAOYSA-N;141.17;-0.39;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP1_SP2";;;;;;;-1.06;;-3.82;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM398687;MM398687;NC(=O)C#CC#CC1CC1;JTOHFAWGDCHTTP-UHFFFAOYSA-N;133.15;-0.11;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_SC5";;;;;;;0.81;;-0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM398688;MM398688;Cn1c(N)c(N)c(=O)n1C;ASOBQCCABLUIIH-UHFFFAOYSA-N;142.16;-1.11;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP2_SP2";;;;;;;-1.34;;-4.31;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM398689;MM398689;O=C(O)C#CC#CC1CC1;XZZGETLQUZTYJQ-UHFFFAOYSA-N;134.13;0.49;;;;;DOPC;MDCG;27;-1;"MARTINI bead: Nda_SC5";;;;;;;1.64;;-4.93;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM398690;MM398690;Cn1c(N)c(O)c(=O)n1C;IQTCJUKMJMNPNV-UHFFFAOYSA-N;143.15;-0.99;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP1_SP2";;;;;;;-1.06;;-3.82;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM398691;MM398691;C=C(C)C#CC#CC1CN1;FDNXQEZCMQXQGO-UHFFFAOYSA-N;131.18;0.54;;;;;DOPC;MDCG;27;0;"MARTINI bead: C3_SP1";;;;;;;1.74;;0.3;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM398692;MM398692;Cn1c(N)c(F)c(=O)n1C;NXVWPKLGGNIZTE-UHFFFAOYSA-N;145.14;-0.55;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNda_SP2";;;;;;;-0.24;;-3.31;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM398693;MM398693;CCN(C=O)N(C)C=NN;MRXJIPDODWKXNX-UHFFFAOYSA-N;144.18;-0.79;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_P1";;;;;;;-1.06;;-3.82;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM398694;MM398694;Cc1c(O)n(C)n(C)c1=O;YOJAYJRGLIDWFF-UHFFFAOYSA-N;142.16;-0.26;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP1_SP2";;;;;;;-1.06;;-3.82;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM398695;MM398695;CNC(=NN)C(F)COC;JZLDDFFCJBNLQE-UHFFFAOYSA-N;149.17;-0.54;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_Nda";;;;;;;-0.24;;-3.31;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM398696;MM398696;Cn1c(O)c(N)c(=O)n1C;FUXBJBBCTBOQTF-UHFFFAOYSA-N;143.15;-0.99;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP2_SP2";;;;;;;-1.34;;-4.31;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM398697;MM398697;CN1C(=N)CC(N)=CC1=O;HWAJGJZXHHQGCP-UHFFFAOYSA-N;139.16;-0.33;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP1_SP1";;;;;;;-0.79;;-7.82;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM398698;MM398698;Cc1c(F)n(C)n(C)c1=O;DGTKDULIULKIBM-UHFFFAOYSA-N;144.15;0.17;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNa_SP2";;;;;;;-0.24;;-3.24;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM398699;MM398699;C=C(C)C#CC#CC1CO1;KZPIHCHMHWFRSQ-UHFFFAOYSA-N;132.16;0.97;;;;;DOPC;MDCG;27;0;"MARTINI bead: C3_SNa";;;;;;;2.57;;0.45;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM398700;MM398700;Cn1c(F)c(N)c(=O)n1C;WIIQRTAAZGJBBJ-UHFFFAOYSA-N;145.14;-0.55;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP1_SP2";;;;;;;-1.06;;-3.82;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM398701;MM398701;CC(=O)C#CC#CC1CO1;YRRDYYNISQKVJQ-UHFFFAOYSA-N;134.13;-0.02;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_SNa";;;;;;;0.87;;-2.22;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM398702;MM398702;Cn1c(F)c(F)c(=O)n1C;LTLIYCQZXJUYKW-UHFFFAOYSA-N;148.11;;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNa_SP2";;;;;;;-0.24;;-3.24;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM398703;MM398703;NC(=O)C#CC#CC1CO1;HBQBYVZLDJSZRX-UHFFFAOYSA-N;135.12;-1.12;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_SNa";;;;;;;0.04;;-2.54;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM398704;MM398704;Cc1c(C)n(N)n(C)c1=N;DIKBSDRIFQZOPY-UHFFFAOYSA-N;140.19;-0.36;;;;;DOPC;MDCG;27;1;"MARTINI bead: SN0_SP3";;;;;;;-0.8;;-6.79;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM398705;MM398705;CC(=O)C(F)=C(C)C(=O)O;RNGRDVFOIGMRAQ-UHFFFAOYSA-N;146.12;0.9;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_P1";;;;;;;0.81;;-5.15;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM398706;MM398706;Cc1c(N)c(=N)n(C)n1N;CHKYDFGIHVGOEF-UHFFFAOYSA-N;141.18;-1.09;;;;;DOPC;MDCG;27;1;"MARTINI bead: SP1_SP3";;;;;;;-1.93;;-6.62;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM398707;MM398707;CC(C)CC1C(C)N1C=O;JMXVMVQVVIYKDV-UHFFFAOYSA-N;141.21;1.26;;;;;DOPC;MDCG;27;0;"MARTINI bead: C3_SP1";;;;;;;1.74;;0.29;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM398708;MM398708;Cc1c(O)c(=N)n(C)n1N;DBDWGMUBRDFWDL-UHFFFAOYSA-N;142.16;-0.97;;;;;DOPC;MDCG;27;1;"MARTINI bead: SNda_SP3";;;;;;;-1.1;;-8.08;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM398709;MM398709;C#CC1C(C)C1CC(C)F;JQIYNSXVGWCNEB-UHFFFAOYSA-N;140.2;2.25;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_SC5";;;;;;;2.41;;0.64;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM398710;MM398710;Cc1c(N)n(N)n(C)c1=N;FIMLNOVXEKWPIJ-UHFFFAOYSA-N;141.18;-1.09;;;;;DOPC;MDCG;27;1;"MARTINI bead: SP1_SP3";;;;;;;-1.93;;-8.46;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM398711;MM398711;C#CC1C(CC(C)N)N1C;XXAXOQLGHMYVLG-UHFFFAOYSA-N;138.21;0.04;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_SP1";;;;;;;0.04;;-5.3;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM398712;MM398712;Cn1c(=N)c(N)c(N)n1N;OJBRRLKEMTWYJW-UHFFFAOYSA-N;142.17;-1.82;;;;;DOPC;MDCG;27;1;"MARTINI bead: SP3_SP2";;;;;;;-2.2;;-7.13;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM398713;MM398713;CCC(=NN)N(C)OC=O;RKZNRXMCLUYYBG-UHFFFAOYSA-N;145.16;-0.31;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nd_P1";;;;;;;0.04;;-2.63;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM398714;MM398714;Cn1c(=N)c(O)c(N)n1N;IFYSDVROCLYHSM-UHFFFAOYSA-N;143.15;-1.69;;;;;DOPC;MDCG;27;1;"MARTINI bead: SP3_SP1";;;;;;;-1.93;;-8.84;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM398715;MM398715;CCC1C(O)C1NC(C)=O;UHGMSVQAWIKAFY-UHFFFAOYSA-N;143.19;-0.11;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNda_P2";;;;;;;-0.24;;-3.31;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM398716;MM398716;Cc1c(F)n(N)n(C)c1=N;OAGUCSKKUVRLLA-UHFFFAOYSA-N;144.15;-0.53;;;;;DOPC;MDCG;27;1;"MARTINI bead: SNa_SP3";;;;;;;-1.1;;-6.15;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM398717;MM398717;CCC1C(O)C1OC(C)=O;IJOGEGREJHBQLR-UHFFFAOYSA-N;144.17;0.32;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNda_Na";;;;;;;0.87;;-1.99;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM398718;MM398718;Cn1c(=N)c(F)c(F)n1N;VNOLWIVPAJRWHV-UHFFFAOYSA-N;148.12;-0.7;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNda_SP3";;;;;;;-1.1;;-3.97;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM398719;MM398719;CCC1C(O)C1OC(=N)N;GYCLUANGJQSJMY-UHFFFAOYSA-N;144.17;-0.33;;;;;DOPC;MDCG;27;1;"MARTINI bead: SNda_P2";;;;;;;-0.24;;-5.27;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM398720;MM398720;Cc1c(C)n(N)n(C)c1=O;DHAJBAYXZVRDOU-UHFFFAOYSA-N;141.17;-0.48;;;;;DOPC;MDCG;27;0;"MARTINI bead: SN0_SP3";;;;;;;-0.8;;-2.99;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM398721;MM398721;CCC1C(O)C1OC(N)=O;SPWJMQSMDZUKIC-UHFFFAOYSA-N;145.16;-0.15;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNda_P2";;;;;;;-0.24;;-3.31;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM398722;MM398722;Cc1c(N)c(=O)n(C)n1N;APKJRWJCJTXXLI-UHFFFAOYSA-N;142.16;-1.21;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP1_SP3";;;;;;;-1.93;;-4.72;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM398723;MM398723;CC1C(C#N)C1CC(=N)N;DBNKOFKNOSLVQX-UHFFFAOYSA-N;137.19;0.72;;;;;DOPC;MDCG;27;1;"MARTINI bead: SN0_P2";;;;;;;0.06;;-6.96;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM398724;MM398724;Cc1c(O)c(=O)n(C)n1N;AMRJPQGOSQTKRK-UHFFFAOYSA-N;143.15;-1.09;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNda_SP3";;;;;;;-1.1;;-3.97;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM398725;MM398725;C=CC(=NN)N(C)OC=O;NWIAFZCFKHCLNQ-UHFFFAOYSA-N;143.15;-0.54;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_N0";;;;;;;0.34;;-1.53;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM398726;MM398726;Cc1c(F)c(=O)n(C)n1N;ZUNMIECGKNORCN-UHFFFAOYSA-N;145.14;-0.65;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNa_SP3";;;;;;;-1.1;;-4.2;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM398727;MM398727;CC(=O)NC1C(O)C1C#N;ZRAWACVKZISKDF-UHFFFAOYSA-N;140.14;-0.99;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_SP2";;;;;;;-1.34;;-4.31;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM398728;MM398728;Cc1c(N)n(N)n(C)c1=O;CCXNHVYDIHTROT-UHFFFAOYSA-N;142.16;-1.21;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP1_SP3";;;;;;;-1.93;;-4.72;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM398729;MM398729;C=CC1C(F)C1NC(N)=O;POFFSRXIFQXSPX-UHFFFAOYSA-N;144.15;0.18;;;;;DOPC;MDCG;27;0;"MARTINI bead: P5_SC5";;;;;;;-0.34;;-3.42;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM398730;MM398730;CC=CC#CC(=NN)NN;NOXQLJYVKWHFGM-UHFFFAOYSA-N;138.17;-0.7;;;;;DOPC;MDCG;27;0;"MARTINI bead: C2_P3";;;;;;;0.86;;-0.29;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM398731;MM398731;C=C(C)CC1C(C)N1C=N;FFZKFIMCZAWIJY-UHFFFAOYSA-N;138.21;1.63;;;;;DOPC;MDCG;27;1;"MARTINI bead: C4_SP1";;;;;;;1.37;;-2.81;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM398732;MM398732;Cn1c(=O)c(O)c(N)n1N;VESIFSRGQMPYBK-UHFFFAOYSA-N;144.13;-1.81;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP3_SP1";;;;;;;-1.93;;-4.72;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM398733;MM398733;C#CC1C(C)C1CC(=N)N;ZZZYHEJJZCSVQM-UHFFFAOYSA-N;136.2;0.83;;;;;DOPC;MDCG;27;1;"MARTINI bead: SC5_P2";;;;;;;0.54;;-5.98;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM398734;MM398734;NN=C(C#CC=CF)NN;ZUAZQOBVSBPIEP-UHFFFAOYSA-N;142.14;-0.79;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_C5";;;;;;;0.54;;-1.09;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM398735;MM398735;C#CC1C(N)C1CC(=N)N;ZIEIOILBQCDBHO-UHFFFAOYSA-N;137.19;-0.48;;;;;DOPC;MDCG;27;1;"MARTINI bead: SP1_P2";;;;;;;-1.06;;-8.61;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM398736;MM398736;Cc1c(O)n(N)n(C)c1=O;JXYNSXJWTNUYOD-UHFFFAOYSA-N;143.15;-1.09;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP1_SP3";;;;;;;-1.93;;-4.72;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM398737;MM398737;C#CC1C(C)C1NC(C)=O;OSYLNBQSSKLUTA-UHFFFAOYSA-N;137.18;0.39;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_SC5";;;;;;;0.54;;-1.09;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM398738;MM398738;Cn1c(=O)c(N)c(O)n1N;USTQQTHIKLFWOR-UHFFFAOYSA-N;144.13;-1.81;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP3_SP2";;;;;;;-2.2;;-5.19;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM398739;MM398739;C#CC1C(N)C1NC(N)=O;RWTKTEVCDPMEMD-UHFFFAOYSA-N;139.16;-1.39;;;;;DOPC;MDCG;27;1;"MARTINI bead: P5_SP1";;;;;;;-1.94;;-7.13;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM398740;MM398740;Cc1c(F)n(N)n(C)c1=O;UTIAMUOSZRKSRP-UHFFFAOYSA-N;145.14;-0.65;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNa_SP3";;;;;;;-1.1;;-4.2;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM398741;MM398741;C#CC1C(F)C1NC(C)=O;SNCAWELTVVFBKN-UHFFFAOYSA-N;141.15;0.09;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_SNa";;;;;;;-0.24;;-3.24;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM398742;MM398742;Cn1c(=O)c(N)c(F)n1N;AMISXPOMOCOLGK-UHFFFAOYSA-N;146.13;-1.38;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP3_SP1";;;;;;;-1.93;;-4.72;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM398743;MM398743;C#CC1C(O)C1OC(=N)N;QQUVEZKXAGHQMK-UHFFFAOYSA-N;140.14;-1.11;;;;;DOPC;MDCG;27;1;"MARTINI bead: P2_SP1";;;;;;;-1.06;;-5.77;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM398744;MM398744;Cn1c(=O)c(F)c(F)n1N;HUDONOOJBPPLQN-UHFFFAOYSA-N;149.1;-0.82;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP3_SNa";;;;;;;-1.1;;-4.2;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM398745;MM398745;C#CCN(N)C(C=C)=NN;ZDNIVEMOFTWQNB-UHFFFAOYSA-N;138.17;-0.75;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_N0";;;;;;;0.34;;-1.53;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM398746;MM398746;Cc1c(C)n(O)n(C)c1=N;ABMCFQYKXQSNHW-UHFFFAOYSA-N;141.17;0.16;;;;;DOPC;MDCG;27;1;"MARTINI bead: SN0_SP2";;;;;;;0.06;;-4.99;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM398747;MM398747;CCC1C(O)C1C=C(C)F;MTZPLGDDYGRGRL-UHFFFAOYSA-N;144.19;1.88;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNda_C3";;;;;;;2.57;;0.44;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM398748;MM398748;Cc1c(O)c(=N)n(C)n1O;WDWCZEDIYNLOTP-UHFFFAOYSA-N;143.15;-0.44;;;;;DOPC;MDCG;27;1;"MARTINI bead: SNda_SP2";;;;;;;-0.24;;-7.21;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM398749;MM398749;CCC1C(O)C1C=C(F)F;NCZSVQKTOWYNCU-UHFFFAOYSA-N;148.15;1.78;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNda_C4";;;;;;;2.2;;0.49;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM398750;MM398750;C#CC(=NN)N(N)C=CF;NSDVFCJRRBJMPH-UHFFFAOYSA-N;142.14;-0.49;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_C5";;;;;;;0.54;;-1.09;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM398751;MM398751;CC(F)=CC1C(O)C1C#N;XZLZUOMCUVDBQC-UHFFFAOYSA-N;141.15;0.99;;;;;DOPC;MDCG;27;0;"MARTINI bead: C3_SP2";;;;;;;1.46;;-0.15;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM398752;MM398752;Cc1c(N)n(O)n(C)c1=N;YLSNRKWTCVEMRG-UHFFFAOYSA-N;142.16;-0.57;;;;;DOPC;MDCG;27;1;"MARTINI bead: SP1_SP2";;;;;;;-1.06;;-6.54;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM398753;MM398753;CC(F)=CC1C(F)C1C#N;WIZDUNKCZMYYON-UHFFFAOYSA-N;143.14;1.97;;;;;DOPC;MDCG;27;0;"MARTINI bead: C3_SNa";;;;;;;2.57;;0.45;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM398754;MM398754;Cn1c(=N)c(O)c(N)n1O;HRTBUVBUPXKTRD-UHFFFAOYSA-N;144.13;-1.17;;;;;DOPC;MDCG;27;1;"MARTINI bead: SP2_SP1";;;;;;;-1.06;;-7.94;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM398755;MM398755;C=CC1C(F)C1C=C(F)F;SRZQEDWYLZBXHQ-UHFFFAOYSA-N;148.13;2.54;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC5_C4";;;;;;;2.97;;0.45;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM398756;MM398756;C#CC1=CC(=O)N(N)CC1;SEBMPVJHKQEWKV-UHFFFAOYSA-N;136.15;-0.35;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP1_SP1";;;;;;;-0.79;;-3.13;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM398757;MM398757;CC(C)=CC1C(C)N1C=O;JJDHIEGASOVYPL-UHFFFAOYSA-N;139.2;1.18;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4_SP1";;;;;;;1.37;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM398758;MM398758;CNN=c1ncc(N)no1;XQZVOSAZYPAZEP-UHFFFAOYSA-N;141.13;-1.31;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP3_SP2";;;;;;;-2.2;;-5.19;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM398759;MM398759;CC1C(C=C(F)F)N1C=N;FRHFHDUOUBWXNX-UHFFFAOYSA-N;146.14;1.45;;;;;DOPC;MDCG;27;1;"MARTINI bead: C4_SP1";;;;;;;1.37;;-2.2;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM398760;MM398760;N=c1on(N)c(=NN)n1N;NHYPDXSKQXBMQC-UHFFFAOYSA-N;145.13;-3.44;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP3_SP3";;;;;;;-3.07;;-6.15;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM398761;MM398761;CC1C(C=C(F)F)N1C=O;GLCLZGKBPPREBU-UHFFFAOYSA-N;147.12;1;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4_SP1";;;;;;;1.37;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM398762;MM398762;Cc1c(C)n(O)n(C)c1=O;QELZMINSCQXMMR-UHFFFAOYSA-N;142.16;0.04;;;;;DOPC;MDCG;27;0;"MARTINI bead: SN0_SP2";;;;;;;0.06;;-2.21;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM398763;MM398763;C=NN1C(C)C1C=C(C)F;JLEFRIHXALEQQX-UHFFFAOYSA-N;142.18;1.55;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_SP1";;;;;;;0.81;;-0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM398764;MM398764;Cc1c(N)c(=O)n(C)n1O;FEXCTEHPTIVNAV-UHFFFAOYSA-N;143.15;-0.69;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP1_SP2";;;;;;;-1.06;;-3.82;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM398765;MM398765;C=NN1C(C)C1C=C(F)F;JSJADWHIDBXQOU-UHFFFAOYSA-N;146.14;1.46;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4_SP1";;;;;;;1.37;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM398766;MM398766;Cc1c(O)c(=O)n(C)n1O;PVDCEVWZDQZFGK-UHFFFAOYSA-N;144.13;-0.56;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNda_SP2";;;;;;;-0.24;;-3.31;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM398767;MM398767;C#CC1C(F)C1C=C(C)F;CVOXXUCTPIZBFX-UHFFFAOYSA-N;142.15;2.08;;;;;DOPC;MDCG;27;0;"MARTINI bead: C3_SNa";;;;;;;2.57;;0.45;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM398768;MM398768;Cc1c(F)c(=O)n(C)n1O;RYUJHMVTFYJAPN-UHFFFAOYSA-N;146.12;-0.13;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNa_SP2";;;;;;;-0.24;;-3.24;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM398769;MM398769;CCn1oc(=O)oc1=NC;GSNZFDZKOUQBIS-UHFFFAOYSA-N;144.13;-0.42;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_SP1";;;;;;;0.81;;-0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM398770;MM398770;Cc1c(N)n(O)n(C)c1=O;DUDFHUXEUQHVKP-UHFFFAOYSA-N;143.15;-0.69;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP1_SP2";;;;;;;-1.06;;-3.82;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM398771;MM398771;N=C1NC(=NN)C2CC12F;MQLKLAJHNFXDHW-UHFFFAOYSA-N;142.14;-0.43;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNd_SP1";;;;;;;0.04;;-2.63;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM398772;MM398772;Cn1c(=O)c(N)c(N)n1O;KFZLMQILSSPJCT-UHFFFAOYSA-N;144.13;-1.41;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP2_SP2";;;;;;;-1.34;;-4.31;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM398773;MM398773;CN=c1oc(=O)on1OC;NVZXDMLFOAFOAA-UHFFFAOYSA-N;146.1;-1.38;;;;;DOPC;MDCG;27;0;"MARTINI bead: P3_SP1";;;;;;;-1.93;;-4.72;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM398774;MM398774;Cn1c(=O)c(O)c(N)n1O;GTMWTWWOQYDOGC-UHFFFAOYSA-N;145.12;-1.29;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP2_SP1";;;;;;;-1.06;;-3.82;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM398775;MM398775;C#CCC1CC(=NN)NO1;XFLSVWYAWOFAGJ-UHFFFAOYSA-N;139.16;-0.42;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP2_SP1";;;;;;;-1.06;;-3.82;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM398776;MM398776;Cn1c(=O)c(F)c(N)n1O;YRQVSFHWTMBPHW-UHFFFAOYSA-N;147.11;-0.85;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP2_SNda";;;;;;;-0.24;;-3.31;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM398777;MM398777;O=c1[nH]c(O)no1;XDENVSFWQSKKLZ-UHFFFAOYSA-N;102.05;-0.93;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP1_SP3";;;;;;;-1.93;;-8.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM398778;MM398778;Cc1c(O)n(O)n(C)c1=O;AQXBNUMCPKJQSU-UHFFFAOYSA-N;144.13;-0.56;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP1_SP2";;;;;;;-1.06;;-3.82;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM398779;MM398779;C=Cn1oc(=O)oc1=NC;FBWZGUUZIACDTR-UHFFFAOYSA-N;142.11;-0.33;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP1_N0";;;;;;;0.34;;-1.53;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM398780;MM398780;Cn1c(=O)c(N)c(O)n1O;FBBXHYOTWYETJZ-UHFFFAOYSA-N;145.12;-1.29;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP2_SP2";;;;;;;-1.34;;-4.31;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM398781;MM398781;C=CC=C1NC(=NN)CO1;ILPKIVRVHLXGRF-UHFFFAOYSA-N;139.16;-0.09;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP2_SNda";;;;;;;-0.24;;-3.31;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM398782;MM398782;Cc1c(F)n(O)n(C)c1=O;SKXGBDNPLHMFHC-UHFFFAOYSA-N;146.12;-0.13;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNa_SP2";;;;;;;-0.24;;-3.24;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM398783;MM398783;CN=c1oc(=O)on1C=N;QNRVXOCFYRDMRA-UHFFFAOYSA-N;143.1;-0.98;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP1_P2";;;;;;;-1.06;;-3.82;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM398784;MM398784;Cn1c(=O)c(N)c(F)n1O;UHWWMVFZDUDKPO-UHFFFAOYSA-N;147.11;-0.85;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP2_SP1";;;;;;;-1.06;;-3.82;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM398785;MM398785;C#CC=C1NC(=NN)CO1;GXDKPILEJZBWCJ-UHFFFAOYSA-N;137.14;-0.65;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP2_SNda";;;;;;;-0.24;;-3.31;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM398786;MM398786;C=Cn1[nH]c(=O)n(O)c1=O;ALBSIJMKBKETIP-UHFFFAOYSA-N;143.1;-1.32;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP3_SNd";;;;;;;-1.1;;-7.87;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM398787;MM398787;CN=c1oc(=O)on1C=O;YFHCGBYTMIUKDB-UHFFFAOYSA-N;144.09;-1.4;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP1_P2";;;;;;;-1.06;;-3.82;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM398788;MM398788;Cn1c(=O)c(F)c(F)n1O;BZUYDVURYLPNAU-UHFFFAOYSA-N;150.08;-0.3;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP2_SNa";;;;;;;-0.24;;-3.24;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM398789;MM398789;NN=c1oc(=O)on1C=O;VEMUKTQXWBSUTM-UHFFFAOYSA-N;145.07;-2.15;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP2_P2";;;;;;;-1.34;;-4.31;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM398790;MM398790;Cc1c(C)n(C)n(N)c1=N;SJKGQNGZHWRSJK-UHFFFAOYSA-N;140.19;-0.36;;;;;DOPC;MDCG;27;1;"MARTINI bead: SN0_SP3";;;;;;;-0.8;;-5.56;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM398791;MM398791;C=Nn1oc(=O)oc1=NC;RGBLKPIWMGQUBC-UHFFFAOYSA-N;143.1;-0.97;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP1_P2";;;;;;;-1.06;;-3.82;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM398792;MM398792;Cc1c(O)c(=N)n(N)n1C;QHZVJSGDUDEKDY-UHFFFAOYSA-N;142.16;-0.97;;;;;DOPC;MDCG;27;1;"MARTINI bead: SNda_SP3";;;;;;;-1.1;;-7.7;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM398793;MM398793;C#Cc1coc(NC=N)n1;YILUJWARCDRLLK-UHFFFAOYSA-N;135.13;0.67;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP1_SNa";;;;;;;0.04;;-2.54;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM398794;MM398794;Cc1c(N)n(C)n(N)c1=N;PZHFSDZXSAMLBZ-UHFFFAOYSA-N;141.18;-1.09;;;;;DOPC;MDCG;27;1;"MARTINI bead: SP1_SP3";;;;;;;-1.93;;-7.23;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM398795;MM398795;C#CCC(=NN)NN1CC1;WMAUAIXOZORMKT-UHFFFAOYSA-N;138.17;-0.9;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nd_SP3";;;;;;;-1.1;;-3.93;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM398796;MM398796;Cn1c(N)c(O)c(=N)n1N;XKJWCBUYJCTHAC-UHFFFAOYSA-N;143.15;-1.69;;;;;DOPC;MDCG;27;1;"MARTINI bead: SP1_SP3";;;;;;;-1.93;;-6.93;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM398797;MM398797;Cn1oc(=NN)c(=NO)o1;HIFAQMLQNRANDJ-UHFFFAOYSA-N;146.11;-1.72;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP1_SP1";;;;;;;-0.79;;-3.13;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM398798;MM398798;Cc1c(C)n(C)n(N)c1=O;LFRAIIGKQSFPJX-UHFFFAOYSA-N;141.17;-0.48;;;;;DOPC;MDCG;27;0;"MARTINI bead: SN0_SP2";;;;;;;0.06;;-2.21;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM398799;MM398799;CC=c1[nH]c(=N)[nH]c1=CC;PQKZRHSAIVQHPV-UHFFFAOYSA-N;137.19;-0.58;;;;;DOPC;MDCG;27;1;"MARTINI bead: SN0_SP2";;;;;;;0.06;;-5.96;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM398800;MM398800;Cc1c(N)c(=O)n(N)n1C;STQLPTFATGLXRQ-UHFFFAOYSA-N;142.16;-1.21;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP1_SP2";;;;;;;-1.06;;-3.82;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM398801;MM398801;CC=c1[nH]c(=N)[nH]c1=CF;HJQCIXISWRYPES-UHFFFAOYSA-N;141.15;-0.67;;;;;DOPC;MDCG;27;1;"MARTINI bead: SP2_SNa";;;;;;;-0.24;;-5.77;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM398802;MM398802;Cc1c(O)c(=O)n(N)n1C;HQUNXJKVVFGBAW-UHFFFAOYSA-N;143.15;-1.09;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNda_SP2";;;;;;;-0.24;;-3.31;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM398803;MM398803;CC=c1[nH]c(=O)[nH]c1=CC;CNFCECMNKVQLCN-UHFFFAOYSA-N;138.17;-0.7;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP3_SN0";;;;;;;-0.8;;-2.99;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM398804;MM398804;Cc1c(F)c(=O)n(N)n1C;GRZSRVFELSVVGZ-UHFFFAOYSA-N;145.14;-0.65;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNa_SP2";;;;;;;-0.24;;-3.24;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM398805;MM398805;CC=c1[nH]c(=O)[nH]c1=CF;FMCWPEQZASBOPY-UHFFFAOYSA-N;142.13;-0.79;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP3_SNa";;;;;;;-1.1;;-4.2;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM398806;MM398806;Cc1c(N)n(C)n(N)c1=O;LXIXYZNWBIEXDD-UHFFFAOYSA-N;142.16;-1.21;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP1_SP2";;;;;;;-1.06;;-3.82;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM398807;MM398807;CC=CN(O)C(=O)C(=O)O;SINDXHKVSOVHQY-UHFFFAOYSA-N;145.11;-0.18;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4_P3";;;;;;;0.23;;-5.44;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM398808;MM398808;Cn1c(N)c(N)c(=O)n1N;DVGSFDJVWCWCTR-UHFFFAOYSA-N;143.15;-1.94;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP2_SP2";;;;;;;-1.34;;-4.31;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM398809;MM398809;CN=c1nc(C)on1C=N;IIURBLGPOVHFTG-UHFFFAOYSA-N;140.15;-0.23;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNa_SP2";;;;;;;-0.24;;-3.24;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM398810;MM398810;Cn1c(N)c(O)c(=O)n1N;NCOVGNMTQGLLHD-UHFFFAOYSA-N;144.13;-1.81;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP1_SP2";;;;;;;-1.06;;-3.82;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM398811;MM398811;CN=c1nc(C)on1C=O;GABULTYHLOWPPZ-UHFFFAOYSA-N;141.13;-0.65;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNa_SP2";;;;;;;-0.24;;-3.24;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM398812;MM398812;NN=c1n(N)oc(=O)n1N;YMVVHHNOPQPCJA-UHFFFAOYSA-N;146.11;-3.56;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP3_SP3";;;;;;;-3.07;;-6.15;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM398813;MM398813;C=Cn1oc(N)nc1=NC;VTNSTQHVSWXKRP-UHFFFAOYSA-N;140.15;-0.31;;;;;DOPC;MDCG;27;1;"MARTINI bead: SP1_SP1";;;;;;;-0.79;;-4.79;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM398814;MM398814;Cc1c(O)n(C)n(N)c1=O;GTABKFRDHLGPBV-UHFFFAOYSA-N;143.15;-1.09;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP1_SP2";;;;;;;-1.06;;-3.82;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM398815;MM398815;CONC(=O)C(=O)CC=O;NLLUYXLQTHRRGS-UHFFFAOYSA-N;145.11;-1.18;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_Na";;;;;;;-0.24;;-7.85;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM398816;MM398816;Cn1c(O)c(N)c(=O)n1N;BGCOOSCMUOODAA-UHFFFAOYSA-N;144.13;-1.81;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP1_SP3";;;;;;;-1.93;;-4.72;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM398817;MM398817;CC#CC#CC(O)C(=O)O;MAAFPCHPWWXELN-UHFFFAOYSA-N;138.12;-0.54;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_P1";;;;;;;0.81;;-5.15;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM398818;MM398818;Cc1c(F)n(C)n(N)c1=O;COFYRRGJBVWNRX-UHFFFAOYSA-N;145.14;-0.65;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNa_SP2";;;;;;;-0.24;;-3.24;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM398819;MM398819;O=C(O)C(=O)C(O)C=CF;RIXMNAYLTOIULM-UHFFFAOYSA-N;148.09;-0.52;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda_P2";;;;;;;-0.24;;-7.87;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM398820;MM398820;Cn1c(F)c(N)c(=O)n1N;YFEZIEZALCWASV-UHFFFAOYSA-N;146.13;-1.38;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP1_SP2";;;;;;;-1.06;;-3.82;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM398821;MM398821;NC(=O)C(=O)C=CC(=O)O;FRXVUPPYTFWCKR-UHFFFAOYSA-N;143.1;-1.32;;;;;DOPC;MDCG;27;0;"MARTINI bead: P3_Nda";;;;;;;-1.1;;-8.25;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM398822;MM398822;Cn1c(F)c(F)c(=O)n1N;VAHIGRNSXCZXSE-UHFFFAOYSA-N;149.1;-0.82;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNa_SP2";;;;;;;-0.24;;-3.24;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM398823;MM398823;Cc1c(C)n(N)n(N)c1=N;LCAXQPPPGIBYGS-UHFFFAOYSA-N;141.18;-1.19;;;;;DOPC;MDCG;27;1;"MARTINI bead: SN0_SP3";;;;;;;-0.8;;-5.26;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM398824;MM398824;C=Cn1oc(F)nc1=NC;CEHYDHXRAJKVFZ-UHFFFAOYSA-N;143.12;0.25;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNa_SP1";;;;;;;0.04;;-2.54;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM398825;MM398825;Cc1c(O)c(=N)n(N)n1N;VXOOEYZRILGRAB-UHFFFAOYSA-N;143.15;-1.79;;;;;DOPC;MDCG;27;1;"MARTINI bead: SNda_SP3";;;;;;;-1.1;;-7.44;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM398826;MM398826;N=Cn1nc(N)c(=NN)o1;VQKCZNQZEOZFOB-UHFFFAOYSA-N;142.12;-1.71;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP3_SP3";;;;;;;-3.07;;-6.15;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM398827;MM398827;Cc1c(F)c(=N)n(N)n1N;ZGMSLYDAHGHSNM-UHFFFAOYSA-N;145.14;-1.36;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNa_SP3";;;;;;;-1.1;;-4.2;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM398828;MM398828;CN=c1nc(F)on1C=N;KDILHXCHUZDHTL-UHFFFAOYSA-N;144.11;-0.4;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNa_SP2";;;;;;;-0.24;;-3.24;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM398829;MM398829;Cc1c(N)n(N)n(N)c1=N;CMPBDLDRJPKWHJ-UHFFFAOYSA-N;142.17;-1.91;;;;;DOPC;MDCG;27;1;"MARTINI bead: SP1_SP3";;;;;;;-1.93;;-6.95;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM398830;MM398830;NN=c1ccc(F)cn1N;VVZKCFRIXHORFW-UHFFFAOYSA-N;142.14;-0.88;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNd_SNa";;;;;;;0.87;;-1.88;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM398831;MM398831;N=c1c(O)c(N)n(N)n1N;UJOHQRXDHMLFPS-UHFFFAOYSA-N;144.14;-2.52;;;;;DOPC;MDCG;27;1;"MARTINI bead: SP1_SP3";;;;;;;-1.93;;-6.63;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM398832;MM398832;CC=c1cc(C)oc1=CC;MTHLKGOYRYIGCE-UHFFFAOYSA-N;136.19;1.19;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC5_SC4";;;;;;;2.97;;0.45;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM398833;MM398833;CC1NC1C(=O)C#CC#N;FPKCPXNLIKAZBM-UHFFFAOYSA-N;134.14;-0.56;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP1_Na";;;;;;;0.04;;-2.54;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM398834;MM398834;CC=c1oc(C)cc1=CF;INJXWLJJVAMMIX-UHFFFAOYSA-N;140.16;1.1;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC5_SC5";;;;;;;2.41;;0.64;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM398835;MM398835;C=CC1=NOC(NN)=NC1;SJZAPNMTHUGNDA-UHFFFAOYSA-N;140.15;-0.62;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP1_SN0";;;;;;;0.34;;-1.53;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM398836;MM398836;CC=c1cc(C)oc1=CF;INGCLZISRZNTPH-UHFFFAOYSA-N;140.16;1.1;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC5_SC5";;;;;;;2.41;;0.64;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM398837;MM398837;N=c1c(N)c(F)n(N)n1N;YIDPEFNYCLHPAH-UHFFFAOYSA-N;146.13;-2.08;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP1_SP3";;;;;;;-1.93;;-4.72;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM398838;MM398838;C=CCC1CC1C1(O)CC1;HGQWMAOHZJHWHN-UHFFFAOYSA-N;138.21;1.72;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP1_SC4";;;;;;;1.37;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM398839;MM398839;N=c1c(F)c(F)n(N)n1N;KERVBCAEHPZCEF-UHFFFAOYSA-N;149.1;-1.53;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNa_SP3";;;;;;;-1.1;;-4.2;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM398840;MM398840;CCC12CC(C)C(=O)C1N2;CWNNLNUYEAYZJE-UHFFFAOYSA-N;139.2;0.72;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNd_SNa";;;;;;;0.87;;-1.88;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM398841;MM398841;Cc1c(C)n(N)n(N)c1=O;KXSWSSSCDKSEJD-UHFFFAOYSA-N;142.16;-1.31;;;;;DOPC;MDCG;27;0;"MARTINI bead: SN0_SP3";;;;;;;-0.8;;-2.99;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM398842;MM398842;C=C1CC2(CC)NC2C1=O;TTZDMONZKKMEDE-UHFFFAOYSA-N;137.18;0.64;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNd_SNa";;;;;;;0.87;;-1.88;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM398843;MM398843;Cc1c(N)c(=O)n(N)n1N;QLKFCYJLIIMWIV-UHFFFAOYSA-N;143.15;-2.03;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP1_SP3";;;;;;;-1.93;;-4.72;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM398844;MM398844;CCc1cn(C)oc1=NO;UYHYAUWHANEZBP-UHFFFAOYSA-N;142.16;0.47;;;;;DOPC;MDCG;27;0;"MARTINI bead: SN0_SP2";;;;;;;0.06;;-2.21;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM398845;MM398845;Cc1c(O)c(=O)n(N)n1N;VCYFPDHQHACAQR-UHFFFAOYSA-N;144.13;-1.91;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNda_SP3";;;;;;;-1.1;;-3.97;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM398846;MM398846;Cn1cc(CN)c(=NO)o1;PVHPEQDRSHMJMX-UHFFFAOYSA-N;143.15;-0.63;;;;;DOPC;MDCG;27;1;"MARTINI bead: SP1_SP2";;;;;;;-1.06;;-5.79;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM398847;MM398847;Cc1c(F)c(=O)n(N)n1N;RQGRYMGLUVIVIP-UHFFFAOYSA-N;146.13;-1.48;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNa_SP3";;;;;;;-1.1;;-4.2;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM398848;MM398848;Cn1cc(CO)c(=NO)o1;PCWHJXMQSWHZKD-UHFFFAOYSA-N;144.13;-0.6;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP1_SP2";;;;;;;-1.06;;-3.82;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM398849;MM398849;Cc1c(N)n(N)n(N)c1=O;JUCNMMCTMFBHLW-UHFFFAOYSA-N;143.15;-2.03;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP1_SP3";;;;;;;-1.93;;-4.72;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM398850;MM398850;Cn1cc(CF)c(=NO)o1;ZYCRGVVAHIKNDI-UHFFFAOYSA-N;146.12;0.38;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNa_SP2";;;;;;;-0.24;;-3.24;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM398851;MM398851;Nc1c(N)n(N)n(N)c1=O;VSWKQNZAVWNRBX-UHFFFAOYSA-N;144.14;-2.76;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP2_SP3";;;;;;;-2.2;;-5.19;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM398852;MM398852;C=CC1(CO)CC2CC2C1;MCLSYBYJWVZHII-UHFFFAOYSA-N;138.21;1.58;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC5_SC4";;;;;;;2.97;;0.45;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM398853;MM398853;Nc1c(O)c(=O)n(N)n1N;CFCMTGVVRNGOSI-UHFFFAOYSA-N;145.12;-2.63;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP1_SP3";;;;;;;-1.93;;-4.72;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM398854;MM398854;NN=c1cccc(F)n1N;VHTPNCGTLLRHPS-UHFFFAOYSA-N;142.14;-0.88;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNd_SNa";;;;;;;0.87;;-1.88;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM398855;MM398855;CCC(=O)C1CN1;HZNZEGCULWMGPJ-UHFFFAOYSA-N;99.13;-0.06;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_SP2";;;;;;;-0.24;;-3.24;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM398856;MM398856;CCc1cn(N)oc1=NO;BZVPMRULWWQOQX-UHFFFAOYSA-N;143.15;-0.35;;;;;DOPC;MDCG;27;0;"MARTINI bead: SN0_SP2";;;;;;;0.06;;-2.21;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM398857;MM398857;Cc1c(O)n(N)n(N)c1=O;SBGKXOHFJTYQBM-UHFFFAOYSA-N;144.13;-1.91;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP1_SP3";;;;;;;-1.93;;-4.72;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM398858;MM398858;Nn1cc(CO)c(=NO)o1;AKMLQHAMJQJFTM-UHFFFAOYSA-N;145.12;-1.42;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP1_SP2";;;;;;;-1.06;;-3.82;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM398859;MM398859;Nc1c(O)n(N)n(N)c1=O;LLTABLUVQXZUTN-UHFFFAOYSA-N;145.12;-2.63;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP2_SP3";;;;;;;-2.2;;-5.19;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM398860;MM398860;N=c1cnncn1C=NN;DJPYXTFFQOLJRC-UHFFFAOYSA-N;138.13;-1.49;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP3_SP2";;;;;;;-2.2;;-5.19;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM398861;MM398861;Cc1c(F)n(N)n(N)c1=O;UNGDXXLOQQNFPW-UHFFFAOYSA-N;146.13;-1.48;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNa_SP3";;;;;;;-1.1;;-4.2;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM398862;MM398862;C=NN1CC1C(=NN)NN;OWMNMZXSIAYMET-UHFFFAOYSA-N;142.17;-1.98;;;;;DOPC;MDCG;27;0;"MARTINI bead: P4_SP2";;;;;;;-2.29;;-5.95;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM398863;MM398863;Nc1c(F)n(N)n(N)c1=O;DCYPWRVGRBGAGG-UHFFFAOYSA-N;147.11;-2.2;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP1_SP3";;;;;;;-1.93;;-4.72;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM398864;MM398864;CCc1cn(O)oc1=NO;HFLINKNMBDSUAT-UHFFFAOYSA-N;144.13;0.17;;;;;DOPC;MDCG;27;0;"MARTINI bead: SN0_SP2";;;;;;;0.06;;-2.21;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM398865;MM398865;Nn1c(F)c(F)c(=O)n1N;ARUQGOOSXKAKBY-UHFFFAOYSA-N;150.09;-1.64;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNa_SP3";;;;;;;-1.1;;-4.2;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM398866;MM398866;C#CC1CN1C(CF)=NN;OYPOIBLFEMFVPZ-UHFFFAOYSA-N;141.15;-0.45;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_SP3";;;;;;;-2.2;;-5.19;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM398867;MM398867;Cc1c(C)n(O)n(N)c1=N;UBTYKYNCIMDIAH-UHFFFAOYSA-N;142.16;-0.66;;;;;DOPC;MDCG;27;1;"MARTINI bead: SN0_SP2";;;;;;;0.06;;-3.24;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM398868;MM398868;CNc1cn(C)oc1=NO;WJGPEEPPZPGWOI-UHFFFAOYSA-N;143.15;-0.05;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNd_SP2";;;;;;;-0.24;;-3.16;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM398869;MM398869;C=C(C)C(C)(C)CO;KZDIANLKFXXHBV-UHFFFAOYSA-N;114.19;1.58;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4_Nda";;;;;;;2.2;;0.49;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM398870;MM398870;C#CC=NNC=CN=NC;ZZWPWROYFAJMKB-UHFFFAOYSA-N;136.16;0.75;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_P1";;;;;;;0.81;;-0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM398871;MM398871;CC(C)CC1(O)CC1;RDRUUONAUGDHDK-UHFFFAOYSA-N;114.19;1.56;;;;;DOPC;MDCG;27;0;"MARTINI bead: C3_SNda";;;;;;;2.57;;0.44;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM398872;MM398872;CNc1cn(N)oc1=NO;ZBRFMIOQTCYVMR-UHFFFAOYSA-N;144.13;-0.87;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNd_SP2";;;;;;;-0.24;;-3.16;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM398873;MM398873;CCCC(C)C(C)O;IRLSKJITMWPWNY-UHFFFAOYSA-N;116.2;1.8;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1_P1";;;;;;;2.08;;0.48;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM398874;MM398874;Cc1cncn(N)c1=NN;RXQXIKMAIJBVMN-UHFFFAOYSA-N;139.16;-1.32;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNa_SP3";;;;;;;-1.1;;-4.2;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM398875;MM398875;C=CC(C)(CC)CO;LDUFZYPBRHVUPU-UHFFFAOYSA-N;114.19;1.58;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1_P3";;;;;;;0.94;;0.03;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM398876;MM398876;CNc1cn(O)oc1=NO;MLPYYSSXKCPMFB-UHFFFAOYSA-N;145.12;-0.35;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNd_SP2";;;;;;;-0.24;;-3.16;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM398877;MM398877;C#CC(C)C(O)CC;GEPHQNMPZFBYOQ-UHFFFAOYSA-N;112.17;1.03;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda_C5";;;;;;;1.64;;0.05;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM398878;MM398878;NN=C1NOC2(CF)CC12;BCYNDIAUBRIRAC-UHFFFAOYSA-N;145.14;-0.48;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP2_SP1";;;;;;;-1.06;;-3.82;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM398879;MM398879;CCCCC(O)CC;RZKSECIXORKHQS-UHFFFAOYSA-N;116.2;1.95;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1_Nda";;;;;;;2.91;;0.57;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM398880;MM398880;COc1cn(C)oc1=NO;XWJJCDWEHYLINH-UHFFFAOYSA-N;144.13;-0.08;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNa_SP2";;;;;;;-0.24;;-3.24;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM398881;MM398881;CC1=CCC(C)C1O;IRQKXYDZHRJRLF-UHFFFAOYSA-N;112.17;1.33;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC4_SNda";;;;;;;2.2;;0.49;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM398882;MM398882;C=CC12CC1C(=NN)NO2;JETMMMWXEVNVFL-UHFFFAOYSA-N;139.16;-0.26;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP2_SNa";;;;;;;-0.24;;-3.24;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM398883;MM398883;C#Cc1n[nH]cc1N;ITRIPWNQVVRQEJ-UHFFFAOYSA-N;107.12;-0.03;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP1_SNda";;;;;;;0.04;;-2.73;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM398884;MM398884;COc1cn(N)oc1=NO;XIJRFTHQBXMLRF-UHFFFAOYSA-N;145.12;-0.91;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNa_SP2";;;;;;;-0.24;;-3.24;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM398885;MM398885;Nc1c(O)c(=O)n(N)n1O;DTDNRRXBXFIQCB-UHFFFAOYSA-N;146.11;-2.11;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP1_SP3";;;;;;;-1.93;;-4.72;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM398886;MM398886;C#CC12CC1C(=NN)NO2;RMRYMMGEPGVWSU-UHFFFAOYSA-N;137.14;-0.81;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP2_SP1";;;;;;;-1.06;;-3.82;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM398887;MM398887;CCCC(=O)C1CN1;HAWNWGFUOCXSCI-UHFFFAOYSA-N;113.16;0.33;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_SP2";;;;;;;0.54;;-1.09;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM398888;MM398888;CCCC(O)CC;ZOCHHNOQQHDWHG-UHFFFAOYSA-N;102.18;1.56;;;;;DOPC;MDCG;27;0;"MARTINI bead: C3_Nda";;;;;;;2.57;;0.44;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM398889;MM398889;Nc1c(O)n(O)n(N)c1=O;FLYIGPFIRYNRIC-UHFFFAOYSA-N;146.11;-2.11;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP2_SP3";;;;;;;-2.2;;-5.19;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM398890;MM398890;CC1CC2CC2(O)C1;BCJAVDPQSZKFEL-UHFFFAOYSA-N;112.17;1.17;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC3_SNda";;;;;;;2.57;;0.44;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM398891;MM398891;C#CC(C#N)C(=O)NOC;JEDWHGXKNBGZOZ-UHFFFAOYSA-N;138.13;-0.56;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_Na";;;;;;;-0.24;;-7.34;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM398892;MM398892;C=CC(C)(O)C(C)=CC;DSIJUYJXDVMHIZ-UHFFFAOYSA-N;126.2;1.89;;;;;DOPC;MDCG;27;0;"MARTINI bead: C2_Nda";;;;;;;2.83;;0.57;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM398893;MM398893;C=Cc1cn(C)oc1=NO;MZEOSLFQCQHBPO-UHFFFAOYSA-N;140.14;0.55;;;;;DOPC;MDCG;27;0;"MARTINI bead: SN0_SP2";;;;;;;0.06;;-2.21;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM398894;MM398894;C=CC(O)(C=C)CCC;YPDJPKPVKBQLGJ-UHFFFAOYSA-N;126.2;1.89;;;;;DOPC;MDCG;27;0;"MARTINI bead: C3_Nda";;;;;;;2.57;;0.44;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM398895;MM398895;N=C(CF)NC=NN;HQOZVVRWSKBJQD-UHFFFAOYSA-N;118.12;-0.58;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_P2";;;;;;;-1.06;;-3.82;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM398896;MM398896;O=C(O)C(F)CO;SVYXLQRWNWOHSJ-UHFFFAOYSA-N;108.07;-0.6;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_P1";;;;;;;-1.06;;-7.91;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM398897;MM398897;C=Cc1cn(N)oc1=NO;ZACNASPMOQPZKB-UHFFFAOYSA-N;141.13;-0.27;;;;;DOPC;MDCG;27;0;"MARTINI bead: SN0_SP2";;;;;;;0.06;;-2.21;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM398898;MM398898;C=CC(O)(C=CC)CC;CZUFIOWSMXGVBA-UHFFFAOYSA-N;126.2;1.89;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_C4";;;;;;;2.97;;0.45;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM398899;MM398899;COC(=N)NC=NN;WKZQRXWOVDSMRC-UHFFFAOYSA-N;116.12;-0.94;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_P1";;;;;;;-1.06;;-3.82;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM398900;MM398900;Cc1c(C)n(C)n(O)c1=N;FFMDJVROZXDPTM-UHFFFAOYSA-N;141.17;0.16;;;;;DOPC;MDCG;27;1;"MARTINI bead: SN0_SP2";;;;;;;0.06;;-4.96;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM398901;MM398901;C=Cc1cn(O)oc1=NO;MTWXWAMYTLNUCV-UHFFFAOYSA-N;142.11;0.25;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP2_SN0";;;;;;;0.06;;-2.21;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM398902;MM398902;Cc1c(O)c(=N)n(O)n1C;RELLOAONGKIVJQ-UHFFFAOYSA-N;143.15;-0.44;;;;;DOPC;MDCG;27;1;"MARTINI bead: SNda_SP2";;;;;;;-0.24;;-7.23;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM398903;MM398903;Nc1nnn(N)c1N;ZJDSXJKQQHGMJK-UHFFFAOYSA-N;114.11;-1.84;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP2_SP3";;;;;;;-2.2;;-5.19;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM398904;MM398904;CCCCC(C)C(C)O;SZERMVMTUUAYML-UHFFFAOYSA-N;130.23;2.19;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1_P1";;;;;;;2.08;;0.48;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM398905;MM398905;C=C(F)C1NC1C=O;OQVSACMMQSTZOS-UHFFFAOYSA-N;115.11;0.01;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_SP2";;;;;;;0.54;;-1.09;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM398906;MM398906;Cc1c(N)n(C)n(O)c1=N;OVPDMFQSMFGTAZ-UHFFFAOYSA-N;142.16;-0.57;;;;;DOPC;MDCG;27;1;"MARTINI bead: SP1_SP2";;;;;;;-1.06;;-6.5;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM398907;MM398907;C#Cc1cn(C)oc1=NO;VMXIYNFWPWESJV-UHFFFAOYSA-N;138.13;-0.11;;;;;DOPC;MDCG;27;0;"MARTINI bead: SN0_SP2";;;;;;;0.06;;-2.21;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM398908;MM398908;Cn1c(N)c(O)c(=N)n1O;JCZLJXVJXJUGFA-UHFFFAOYSA-N;144.13;-1.17;;;;;DOPC;MDCG;27;1;"MARTINI bead: SP1_SP2";;;;;;;-1.06;;-7.95;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM398909;MM398909;C=NN1CC1C(C)=O;XGBRJGPQNJCYMI-UHFFFAOYSA-N;112.13;-0.12;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_SP2";;;;;;;-0.24;;-3.24;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM398910;MM398910;CC(O)C(C)CCCF;UVHHFHRFGNQUKG-UHFFFAOYSA-N;134.19;1.75;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda_C4";;;;;;;2.2;;0.49;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM398911;MM398911;C=NNC=CN=NC;NRTYLJFNXWDZSE-UHFFFAOYSA-N;112.14;0.74;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_P2";;;;;;;0.54;;-1.09;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM398912;MM398912;CCCCCC(O)CC;NMRPBPVERJPACX-UHFFFAOYSA-N;130.23;2.34;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1_Nda";;;;;;;2.91;;0.57;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM398913;MM398913;C#CC1CN1C=NN;YSKIVLRQYXVAGM-UHFFFAOYSA-N;109.13;-0.79;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP2_N0";;;;;;;0.06;;-2.21;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM398914;MM398914;CCC(O)CCCCF;KYXAXJAZEXBVNW-UHFFFAOYSA-N;134.19;1.9;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda_C4";;;;;;;2.2;;0.49;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM398915;MM398915;C=c1cc(CC)c(=CC)o1;XFELKQGQZWPIJR-UHFFFAOYSA-N;136.19;1.05;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC4_SC4";;;;;;;3.53;;0.53;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM398916;MM398916;CC(=O)ON=CC(=O)O;KKAXFYDPDIJKPR-UHFFFAOYSA-N;131.09;-0.38;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_P1";;;;;;;0.04;;-6.67;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM398917;MM398917;C=c1cc(CN)c(=CC)o1;ZTFSCDOCHBFLCZ-UHFFFAOYSA-N;137.18;-0.05;;;;;DOPC;MDCG;27;1;"MARTINI bead: SC4_SNd";;;;;;;2.2;;-1.53;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM398918;MM398918;C#Cc1n[nH]n(C=C)c1=O;VESKDQXOPLGSOR-UHFFFAOYSA-N;135.13;-0.35;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP2_SP1";;;;;;;-1.06;;-7.91;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM398919;MM398919;C=c1cc(CO)c(=CC)o1;LUGXLUOUXWCBKC-UHFFFAOYSA-N;138.17;-0.02;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC4_SNda";;;;;;;2.2;;0.49;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM398920;MM398920;CCc1n[nH]c(=NO)o1;AWYUXEGIVBEEAT-UHFFFAOYSA-N;129.12;-0.15;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNda_SP3";;;;;;;-1.1;;-7.92;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM398921;MM398921;C=c1cc(CF)c(=CC)o1;IWNCPDMXLOUIND-UHFFFAOYSA-N;140.16;0.96;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC4_SC5";;;;;;;2.97;;0.45;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM398922;MM398922;CC(=NO)C(F)F;VNWVMFRXDOXYPP-UHFFFAOYSA-N;109.08;1.1;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_N0";;;;;;;0.34;;-5.66;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM398923;MM398923;C=c1cc(CC)c(=CF)o1;GMVDXGAXARFZGN-UHFFFAOYSA-N;140.16;0.96;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC4_SNa";;;;;;;2.2;;0.34;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM398924;MM398924;N=C(C(=O)O)N(O)CCO;JVLBXPQODUJPSI-UHFFFAOYSA-N;148.12;-1.27;;;;;DOPC;MDCG;27;0;"MARTINI bead: P4_P1";;;;;;;-2.01;;-8.82;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM398925;MM398925;C=c1cc(CN)c(=CF)o1;ZPBYGDWSMABFBA-UHFFFAOYSA-N;141.15;-0.14;;;;;DOPC;MDCG;27;1;"MARTINI bead: SNd_SNa";;;;;;;0.87;;-3.99;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM398926;MM398926;Nn1[nH]c(=O)nnc1=O;PWMOQFKWWOQOMS-UHFFFAOYSA-N;129.08;-2.96;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP4_SP4";;;;;;;-3.24;;-10.95;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM398927;MM398927;C=c1cc(CO)c(=CF)o1;WLZPZKCTKDHSLT-UHFFFAOYSA-N;142.13;-0.11;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNda_SNa";;;;;;;0.87;;-1.99;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM398928;MM398928;CCOC(N)=C(F)C(=O)O;DJXIBHGMTMEDSV-UHFFFAOYSA-N;149.12;0.2;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_P2";;;;;;;0.54;;-5.16;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM398929;MM398929;C=c1cc(CF)c(=CF)o1;PXEDXIZBKGFDKM-UHFFFAOYSA-N;144.12;0.87;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC5_SNa";;;;;;;1.64;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM398930;MM398930;Cc1c(C)n(N)n(O)c1=N;JREDZAMTJSMPRT-UHFFFAOYSA-N;142.16;-0.66;;;;;DOPC;MDCG;27;1;"MARTINI bead: SN0_SP2";;;;;;;0.06;;-4.64;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM398931;MM398931;C=c1cc(OC)c(=CC)o1;BHFARISAZARMCJ-UHFFFAOYSA-N;138.17;0.5;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNa_SC4";;;;;;;2.2;;0.34;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM398932;MM398932;CC(=NN=CCF)NN;FREWYOPEVNCXNP-UHFFFAOYSA-N;132.14;-0.18;;;;;DOPC;MDCG;27;0;"MARTINI bead: P3_C4";;;;;;;0.23;;-1.03;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM398933;MM398933;C=c1cc(OC)c(=CF)o1;WFGYKGUSHUWJOL-UHFFFAOYSA-N;142.13;0.41;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNa_SNa";;;;;;;0.87;;-2.22;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM398934;MM398934;Cc1c(N)n(N)n(O)c1=N;ROUBFKMOXSNTBZ-UHFFFAOYSA-N;143.15;-1.39;;;;;DOPC;MDCG;27;1;"MARTINI bead: SP1_SP2";;;;;;;-1.06;;-6.22;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM398935;MM398935;C=Cc1cc(=C)oc1=CC;ZTNVDHJBUDYYSO-UHFFFAOYSA-N;134.18;1.13;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC4_SC5";;;;;;;2.97;;0.45;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM398936;MM398936;N=c1c(O)c(N)n(N)n1O;VTWJAHWQOKTXIP-UHFFFAOYSA-N;145.12;-1.99;;;;;DOPC;MDCG;27;1;"MARTINI bead: SP1_SP2";;;;;;;-1.06;;-7.65;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM398937;MM398937;C=c1cc(C=O)c(=CC)o1;LKVMFLDALUMWHN-UHFFFAOYSA-N;136.15;0.3;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC4_SNa";;;;;;;2.2;;0.34;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM398938;MM398938;C=C1C=C(C)C(C)C1O;RJWBPKMNWYMNGZ-UHFFFAOYSA-N;124.18;1.5;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNda_SC2";;;;;;;2.83;;0.57;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM398939;MM398939;C=c1cc(C#N)c(=CC)o1;ULPDGHXYZSJYPC-UHFFFAOYSA-N;133.15;0.36;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC4_SN0";;;;;;;2.5;;0.44;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM398940;MM398940;C=C1C(C)=CC(C)C1O;FRUGFZGWRZJWMD-UHFFFAOYSA-N;124.18;1.5;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC3_SNda";;;;;;;2.57;;0.44;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM398941;MM398941;C=Cc1cc(=C)oc1=CF;IYJZQVGANCJXCJ-UHFFFAOYSA-N;138.14;1.04;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNa_SC5";;;;;;;1.64;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM398942;MM398942;C=CC1=CC(=O)C(=N)N1;OSUCRVLIAKVPRE-UHFFFAOYSA-N;122.13;0.21;;;;;DOPC;MDCG;27;0;"MARTINI bead: SN0_SP2";;;;;;;0.06;;-2.21;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM398943;MM398943;C=c1cc(C=O)c(=CF)o1;CWXGBXHBTPJDFV-UHFFFAOYSA-N;140.11;0.21;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNa_SNa";;;;;;;0.87;;-2.22;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM398944;MM398944;CCC1CC2CC2(O)C1;PNHJWKJGRGRVLK-UHFFFAOYSA-N;126.2;1.56;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC1_SNda";;;;;;;2.91;;0.57;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM398945;MM398945;C=c1cc(C#N)c(=CF)o1;RLAIWWRNBSBEEJ-UHFFFAOYSA-N;137.11;0.27;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNa_SN0";;;;;;;1.17;;-1.18;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM398946;MM398946;N=c1c(=O)c(N)n[nH]n1O;FSRDQXHJUSTMNG-UHFFFAOYSA-N;143.11;-2.13;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP2_SP3";;;;;;;-2.2;;-9.11;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM398947;MM398947;C#Cc1cc(=C)oc1=CC;JOJRDOSLAQNOIV-UHFFFAOYSA-N;132.16;0.47;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC4_SN0";;;;;;;2.5;;0.44;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM398948;MM398948;C=Nn1nnc(O)c1O;HSBROBMHUDTFSH-UHFFFAOYSA-N;128.09;-0.85;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP2_SP2";;;;;;;-1.34;;-8.41;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM398949;MM398949;C#Cc1cc(=C)oc1=CF;AKUWNJYPVDLWMA-UHFFFAOYSA-N;136.13;0.38;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNa_SN0";;;;;;;1.17;;-1.18;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM398950;MM398950;C#CCN(N)C(=N)C(=O)O;HMUWUJIXOPLKRN-UHFFFAOYSA-N;141.13;-1.14;;;;;DOPC;MDCG;27;0;"MARTINI bead: N0_P3";;;;;;;-0.8;;-6.89;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM398951;MM398951;CCc1oc(=O)oc1CC;SSPIBMWEJNSGAF-UHFFFAOYSA-N;142.15;1.36;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_SNa";;;;;;;1.64;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM398952;MM398952;Cn1oc(O)nc1=O;SHCJTIUGKXHXGW-UHFFFAOYSA-N;116.08;-0.92;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP1_SP2";;;;;;;-1.06;;-7.92;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM398953;MM398953;CCc1oc(=O)oc1CN;PSUYJQPMANLKTK-UHFFFAOYSA-N;143.14;0.25;;;;;DOPC;MDCG;27;1;"MARTINI bead: C5_SP2";;;;;;;0.54;;-2.22;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM398954;MM398954;C=CCC(=O)C=CC(=O)O;ISIPTGQEQMBEPW-UHFFFAOYSA-N;140.14;0.77;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda_Na";;;;;;;0.87;;-6.15;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM398955;MM398955;CCc1oc(=O)oc1CO;JTVYTOGUSGWMFF-UHFFFAOYSA-N;144.13;0.29;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNa_P3";;;;;;;-1.1;;-4.2;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM398956;MM398956;O=C(O)CONC(=O)NO;FSQVCEFTLCOCFY-UHFFFAOYSA-N;150.09;-1.31;;;;;DOPC;MDCG;27;0;"MARTINI bead: P4_P2";;;;;;;-2.29;;-9.48;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM398957;MM398957;CCc1oc(=O)oc1CF;GPVIIVPFRGANSA-UHFFFAOYSA-N;146.12;1.26;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNa_Na";;;;;;;0.87;;-2.22;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM398958;MM398958;C#CC1(CF)OC1C(=O)O;VLEPWGSXUDUDSQ-UHFFFAOYSA-N;144.1;-0.19;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_SNa";;;;;;;0.04;;-6.68;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM398959;MM398959;NCc1oc(=O)oc1CN;RKNBTJGLNXYGNB-UHFFFAOYSA-N;144.13;-0.85;;;;;DOPC;MDCG;27;1;"MARTINI bead: P2_SP2";;;;;;;-1.34;;-5.86;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM398960;MM398960;COC(C(=O)O)C(F)F;DFHUEHBXRQDOAV-UHFFFAOYSA-N;140.09;0.35;;;;;DOPC;MDCG;27;0;"MARTINI bead: N0_P1";;;;;;;0.34;;-5.67;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM398961;MM398961;NCc1oc(=O)oc1CO;MFUKQHNKFOLXPI-UHFFFAOYSA-N;145.11;-0.82;;;;;DOPC;MDCG;27;1;"MARTINI bead: SP2_P3";;;;;;;-2.2;;-6.22;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM398962;MM398962;N#CCOCC(C#N)=NO;VJEBRVLMGOGTCK-UHFFFAOYSA-N;139.11;-0.12;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_P1";;;;;;;-1.06;;-7.92;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM398963;MM398963;NCc1oc(=O)oc1CF;UUQCDSJWDOERFM-UHFFFAOYSA-N;147.11;0.16;;;;;DOPC;MDCG;27;1;"MARTINI bead: SP2_Na";;;;;;;-0.24;;-4.58;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM398964;MM398964;N#CC(F)=CC(C#N)=NO;PPKMJIZWLSHCIG-UHFFFAOYSA-N;139.09;0.72;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_C5";;;;;;;0.54;;-5.17;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM398965;MM398965;O=c1oc(CO)c(CO)o1;HPOLRHWMNQEXDI-UHFFFAOYSA-N;146.1;-0.78;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP2_P3";;;;;;;-2.2;;-5.19;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM398966;MM398966;CC(=NOC=NO)C(=O)O;PJKYYZLFBXSZGF-UHFFFAOYSA-N;146.1;-0.12;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_Nda";;;;;;;-0.24;;-7.4;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM398967;MM398967;O=c1oc(CO)c(CF)o1;FBSKNRATNKUDSN-UHFFFAOYSA-N;148.09;0.19;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP2_Na";;;;;;;-0.24;;-3.24;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM398968;MM398968;Oc1nnn(O)c1O;MQFYYVMWSLKHJD-UHFFFAOYSA-N;117.06;-1.07;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP2_SP2";;;;;;;-1.34;;-8.42;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM398969;MM398969;O=c1oc(CF)c(CF)o1;GQQBCZCATRWMPF-UHFFFAOYSA-N;150.08;1.17;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_SP1";;;;;;;0.04;;-2.54;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM398970;MM398970;Cc1c(C)n(O)n(O)c1=N;MEXZDYBWDPEDHA-UHFFFAOYSA-N;143.15;-0.14;;;;;DOPC;MDCG;27;1;"MARTINI bead: SN0_SP2";;;;;;;0.06;;-3.37;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM398971;MM398971;CCc1oc(=O)oc1NC;KRXIKIWNVJTWRQ-UHFFFAOYSA-N;143.14;0.84;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNa_P2";;;;;;;-0.24;;-3.24;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM398972;MM398972;CC=Cc1cc(N)c[nH]1;QYCOURLWFKITPH-UHFFFAOYSA-N;122.17;1.63;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC5_SP1";;;;;;;0.81;;-0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM398973;MM398973;CNc1oc(=O)oc1CO;WVIDQYDBCQYNOZ-UHFFFAOYSA-N;145.11;-0.23;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP2_P3";;;;;;;-2.2;;-5.19;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM398974;MM398974;NN=c1cnoc(N)n1;JWSSZZAYRCSYHI-UHFFFAOYSA-N;127.11;-1.57;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP3_SP3";;;;;;;-3.07;;-6.15;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM398975;MM398975;CNc1oc(=O)oc1CF;PESNLHRTHUDCHW-UHFFFAOYSA-N;147.11;0.74;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP2_Na";;;;;;;-0.24;;-3.24;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM398976;MM398976;Cc1c(N)n(O)n(O)c1=N;MZMZFYDKQXIBAP-UHFFFAOYSA-N;144.13;-0.87;;;;;DOPC;MDCG;27;1;"MARTINI bead: SP1_SP2";;;;;;;-1.06;;-4.95;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM398977;MM398977;CCc1oc(=O)oc1OC;AYSBLINZJUPTNP-UHFFFAOYSA-N;144.13;0.8;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNa_P3";;;;;;;-1.1;;-4.2;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM398978;MM398978;C=Cc1[nH]c(C)cc1N;IEOTYUPGNGWIFC-UHFFFAOYSA-N;122.17;1.55;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNd_SNd";;;;;;;0.87;;-2.11;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM398979;MM398979;COc1oc(=O)oc1CN;ZKMJRFQVHNXAMQ-UHFFFAOYSA-N;145.11;-0.3;;;;;DOPC;MDCG;27;1;"MARTINI bead: P3_SP2";;;;;;;-2.2;;-6.24;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM398980;MM398980;N=c1c(N)c(O)n(O)n1O;AMZZNSFFOQEVTM-UHFFFAOYSA-N;146.11;-1.47;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP2_SP2";;;;;;;-1.34;;-4.31;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM398981;MM398981;COc1oc(=O)oc1CO;GIZQJKBZFQZVSY-UHFFFAOYSA-N;146.1;-0.27;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP1_P3";;;;;;;-1.93;;-4.72;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM398982;MM398982;On1onc2cnnc1-2;SORIZLZEFLPHQL-UHFFFAOYSA-N;126.08;-0.39;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP1_SP1";;;;;;;-0.79;;-7.28;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM398983;MM398983;NN=CN1CC(F)(F)C1;KTNKEXGZUOSNBY-UHFFFAOYSA-N;135.12;-0.16;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP1_SP1";;;;;;;-0.79;;-3.13;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM398984;MM398984;CC=C1C=CC(C)C1O;DXKVXRNHYMJUJW-UHFFFAOYSA-N;124.18;1.5;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC5_SC4";;;;;;;2.97;;0.45;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM398985;MM398985;CNc1oc(=O)oc1OC;WLPKIEPSMGFISC-UHFFFAOYSA-N;145.11;0.28;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP2_P3";;;;;;;-2.2;;-5.19;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM398986;MM398986;COC=NNC1CC1F;URHKFKBYEAEHTE-UHFFFAOYSA-N;132.14;0.28;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_SNa";;;;;;;0.04;;-2.54;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM398987;MM398987;COc1oc(=O)oc1OC;RYQWNFZMUQMZDU-UHFFFAOYSA-N;146.1;0.25;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP1_P3";;;;;;;-1.93;;-4.72;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM398988;MM398988;CCC1CCC2(O)CC12;WDMNHTQOWYHFOP-UHFFFAOYSA-N;126.2;1.56;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC1_SNda";;;;;;;2.91;;0.57;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM398989;MM398989;C=Cc1oc(=O)oc1CC;PZBFXUHAFQHHKL-UHFFFAOYSA-N;140.14;1.44;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_SNa";;;;;;;1.64;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM398990;MM398990;O=C(O)C(O)COC=NO;POEORSJGWNVVJQ-UHFFFAOYSA-N;149.1;-1.13;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_P2";;;;;;;-1.34;;-8.42;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM398991;MM398991;CCc1oc(=O)oc1C=O;PUEXAOVODKZXEE-UHFFFAOYSA-N;142.11;0.61;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNa_P2";;;;;;;-0.24;;-3.24;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM398992;MM398992;Cc1c(F)n[nH]c1O;ASGXHWJGSSZXKP-UHFFFAOYSA-N;116.1;0.56;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP1_SNda";;;;;;;0.04;;-6.86;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM398993;MM398993;CCc1oc(=O)oc1C#N;ONLQUHSBBSEPPY-UHFFFAOYSA-N;139.11;0.67;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNa_P2";;;;;;;-0.24;;-3.24;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM398994;MM398994;O=CNN=CC(O)C(=O)O;UHDVVUITRLAAQZ-UHFFFAOYSA-N;146.1;-1.84;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_P2";;;;;;;-1.34;;-8.42;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM398995;MM398995;C=Cc1oc(=O)oc1CN;BMHLEJNQHNTHKR-UHFFFAOYSA-N;141.13;0.33;;;;;DOPC;MDCG;27;1;"MARTINI bead: P2_SNa";;;;;;;-0.24;;-4.57;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM398996;MM398996;CC(O)C(N)=CC(=O)O;YHVHIGFPICAUEO-UHFFFAOYSA-N;131.13;-0.71;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_P1";;;;;;;-0.79;;-7.28;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM398997;MM398997;C=Cc1oc(=O)oc1CO;FUZPSEVTJMNEJN-UHFFFAOYSA-N;142.11;0.37;;;;;DOPC;MDCG;27;0;"MARTINI bead: P3_SNa";;;;;;;-1.1;;-4.2;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM398998;MM398998;C=CCC(=O)C(=O)O;NOXRYJAWRSNUJD-UHFFFAOYSA-N;114.1;0.22;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_N0";;;;;;;0.34;;-5.68;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM398999;MM398999;O=Cc1oc(=O)oc1CO;XUXQHLBWDKNDMY-UHFFFAOYSA-N;144.08;-0.46;;;;;DOPC;MDCG;27;0;"MARTINI bead: P3_SP2";;;;;;;-2.2;;-5.19;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM399000;MM399000;Cn1c(F)c(O)oc1=O;MEFCLCKRQWWKHS-UHFFFAOYSA-N;133.08;-0.18;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP1_SP1";;;;;;;-0.79;;-7.29;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM399001;MM399001;N#Cc1oc(=O)oc1CO;NVZXWRJEMKTYKH-UHFFFAOYSA-N;141.08;-0.4;;;;;DOPC;MDCG;27;0;"MARTINI bead: P3_SP1";;;;;;;-1.93;;-4.72;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM399002;MM399002;C=C(C)C(=O)C=CC(=O)O;MJDYNFRKRVOWGT-UHFFFAOYSA-N;140.14;0.77;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_Nda";;;;;;;0.87;;-6.16;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM399003;MM399003;C=Cc1oc(=O)oc1CF;ODWCHNJTZDIMPD-UHFFFAOYSA-N;144.1;1.35;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_SNa";;;;;;;0.87;;-2.22;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM399004;MM399004;C#CC(O)C(O)C(=O)O;XDXGHQORMSPYHR-UHFFFAOYSA-N;130.1;-1.57;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_P2";;;;;;;-1.34;;-8.42;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM399005;MM399005;O=Cc1oc(=O)oc1CF;ZNEUAAZOXBWOFR-UHFFFAOYSA-N;146.07;0.51;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_SP2";;;;;;;-0.24;;-3.24;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM399006;MM399006;C#CC(NC(N)=O)C(=O)O;UFZKOMZOZDWODU-UHFFFAOYSA-N;142.11;-1.26;;;;;DOPC;MDCG;27;0;"MARTINI bead: P4_Nda";;;;;;;-1.19;;-8.36;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM399007;MM399007;N#Cc1oc(=O)oc1CF;LKYMZFVNYHZEII-UHFFFAOYSA-N;143.07;0.57;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP1_P2";;;;;;;-1.06;;-3.82;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM399008;MM399008;C=CCc1n[nH]c(=NO)o1;VQQUUYPFEFHBGU-UHFFFAOYSA-N;141.13;0.02;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP3_SNda";;;;;;;-1.1;;-7.94;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM399009;MM399009;C=Cc1oc(=O)oc1NC;LHKOGVXITZMWKQ-UHFFFAOYSA-N;141.13;0.92;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP2_N0";;;;;;;0.06;;-2.21;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM399010;MM399010;O=c1nc[nH]c(=NO)o1;XTQCQUXYUTUKQA-UHFFFAOYSA-N;129.08;-1.35;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP3_SP3";;;;;;;-3.07;;-9.95;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM399011;MM399011;CNc1oc(=O)oc1C=O;YMEPBGUVHHRZMX-UHFFFAOYSA-N;143.1;0.09;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP2_P2";;;;;;;-1.34;;-4.31;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM399012;MM399012;O=CC(F)(C=NO)C(F)F;POCMOGJAXLLILZ-UHFFFAOYSA-N;155.08;0.62;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_C5";;;;;;;0.81;;-4.63;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM399013;MM399013;CNc1oc(=O)oc1C#N;FLWMOVCMRWSWLB-UHFFFAOYSA-N;140.1;0.15;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_SP1";;;;;;;-1.06;;-3.82;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM399014;MM399014;ON=c1cn[nH]n1O;JZWDLWUOYABBHX-UHFFFAOYSA-N;116.08;-1.26;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP3_SP2";;;;;;;-2.2;;-9.12;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM399015;MM399015;C=Cc1oc(=O)oc1OC;RKAYNTKQWYOPDM-UHFFFAOYSA-N;142.11;0.88;;;;;DOPC;MDCG;27;0;"MARTINI bead: P3_SNa";;;;;;;-1.1;;-4.2;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM399016;MM399016;O=C(O)C(O)C(O)C=NO;UHXAEZUTIXRHJC-UHFFFAOYSA-N;149.1;-1.75;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_P2";;;;;;;-1.34;;-8.42;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM399017;MM399017;COc1oc(=O)oc1C=O;JMYLVMXFXKYXKG-UHFFFAOYSA-N;144.08;0.05;;;;;DOPC;MDCG;27;0;"MARTINI bead: P3_SP2";;;;;;;-2.2;;-5.19;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM399018;MM399018;NN=c1o[nH]n(N)c1=O;ZOYKOIHOEZOIBA-UHFFFAOYSA-N;131.1;-2.74;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP2_SP2";;;;;;;-1.34;;-8.42;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM399019;MM399019;COc1oc(=O)oc1C#N;ZBFKXYFHYZQIRU-UHFFFAOYSA-N;141.08;0.11;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP1_P2";;;;;;;-1.06;;-3.82;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM399020;MM399020;CN=c1[nH]c(O)no1;XGMQWLYUJSFADA-UHFFFAOYSA-N;115.09;-0.76;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP2_SP1";;;;;;;-1.06;;-7.93;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM399021;MM399021;C#Cc1oc(=O)oc1CC;CCINMTCBTLADJX-UHFFFAOYSA-N;138.12;0.78;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNa_P1";;;;;;;0.04;;-2.54;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM399022;MM399022;C=C1C(C)=C(C)C(=C)C1C;AEVFNLNYAZGFQW-UHFFFAOYSA-N;134.22;3.08;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC3_SC3";;;;;;;4.27;;0.2;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM399023;MM399023;C#Cc1oc(=O)oc1CN;PJLIKMHZQSDYKO-UHFFFAOYSA-N;139.11;-0.33;;;;;DOPC;MDCG;27;1;"MARTINI bead: P2_SNa";;;;;;;-0.24;;-4.55;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM399024;MM399024;C=C1C(C)=C(F)C(=C)C1C;OUCPJIPFGBLVME-UHFFFAOYSA-N;138.19;2.99;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC3_SC4";;;;;;;3.9;;0.47;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM399025;MM399025;C#Cc1oc(=O)oc1CO;SMBVUYULUKKTMR-UHFFFAOYSA-N;140.09;-0.29;;;;;DOPC;MDCG;27;0;"MARTINI bead: P3_SNa";;;;;;;-1.1;;-4.2;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM399026;MM399026;C=C1C(C)=C(C)C(=O)C1C;NUPOFQCBTWUAJT-UHFFFAOYSA-N;136.19;2.1;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC3_SNa";;;;;;;2.57;;0.45;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM399027;MM399027;C#Cc1oc(=O)oc1CF;UDOSYVDUPVNHPY-UHFFFAOYSA-N;142.09;0.68;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_SNa";;;;;;;0.87;;-2.22;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM399028;MM399028;C=C1C(N)=C(C)C(=O)C1C;LLUUCOZNLJLEAF-UHFFFAOYSA-N;137.18;0.99;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNd_SNa";;;;;;;0.87;;-1.88;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM399029;MM399029;C#Cc1oc(=O)oc1NC;YLILJCMQDMEAEA-UHFFFAOYSA-N;139.11;0.26;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_SNa";;;;;;;-0.24;;-3.24;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM399030;MM399030;C=C1C(F)=C(C)C(=O)C1C;WKIQKCRNUNOEMB-UHFFFAOYSA-N;140.16;2;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC4_SNa";;;;;;;2.2;;0.34;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM399031;MM399031;C#Cc1oc(=O)oc1OC;BXLXXLBPPUEYEJ-UHFFFAOYSA-N;140.09;0.22;;;;;DOPC;MDCG;27;0;"MARTINI bead: P3_SNa";;;;;;;-1.1;;-4.2;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM399032;MM399032;CC1=C(C)C(=O)C(C)C1=O;LQLKNPQLVSFIAX-UHFFFAOYSA-N;138.17;1.11;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC5_SNa";;;;;;;1.64;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM399033;MM399033;C=Cc1oc(=O)oc1C=C;WNIUJYZKCQVGBR-UHFFFAOYSA-N;138.12;1.52;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNa_N0";;;;;;;1.17;;-1.18;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM399034;MM399034;C=C1C(C)=C(C)C(=C)C1N;CILHLDWWDRCHJF-UHFFFAOYSA-N;135.21;1.78;;;;;DOPC;MDCG;27;1;"MARTINI bead: SC3_SNd";;;;;;;2.57;;-0.62;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM399035;MM399035;C=Cc1oc(=O)oc1C=O;LEVINNRQUYEUPW-UHFFFAOYSA-N;140.09;0.69;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNa_P2";;;;;;;-0.24;;-3.24;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM399036;MM399036;C=C1C(C)=C(F)C(=C)C1N;RRYAKHSMYPGJMU-UHFFFAOYSA-N;139.17;1.68;;;;;DOPC;MDCG;27;1;"MARTINI bead: SC4_SNd";;;;;;;2.2;;-1.22;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM399037;MM399037;C=Cc1oc(=O)oc1C#N;HOGBPRFSSMIABE-UHFFFAOYSA-N;137.09;0.75;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNa_P2";;;;;;;-0.24;;-3.24;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM399038;MM399038;C=C1C(C)=C(C)C(=N)N1C;FZHBPJNSOBDYLB-UHFFFAOYSA-N;136.2;1.76;;;;;DOPC;MDCG;27;1;"MARTINI bead: SNd_SP1";;;;;;;0.04;;-5.62;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM399039;MM399039;O=Cc1oc(=O)oc1C=O;BUUFZGKQEWXMCG-UHFFFAOYSA-N;142.07;-0.14;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_SP2";;;;;;;-1.34;;-4.31;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM399040;MM399040;C=C1C(N)=C(C)C(=N)N1C;QXXXUQKCSIYSSM-UHFFFAOYSA-N;137.19;0.66;;;;;DOPC;MDCG;27;1;"MARTINI bead: SP1_SP1";;;;;;;-0.79;;-5.78;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM399041;MM399041;N#Cc1oc(=O)oc1C=O;XKHYNVNNZHATOG-UHFFFAOYSA-N;139.07;-0.08;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP2_P2";;;;;;;-1.34;;-4.31;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM399042;MM399042;C=C1C(C)=C(C)C(=O)N1C;YKLBRFYYVJGYEF-UHFFFAOYSA-N;137.18;1.31;;;;;DOPC;MDCG;27;0;"MARTINI bead: SN0_SNda";;;;;;;1.17;;-1.13;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM399043;MM399043;N#Cc1oc(=O)oc1C#N;WYVFRVANKMEEOK-UHFFFAOYSA-N;136.07;-0.02;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP1_P2";;;;;;;-1.06;;-3.82;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM399044;MM399044;CC1=C(C)C(=N)N(C)C1=N;DTGCIZGBRWKEGR-UHFFFAOYSA-N;137.19;1.22;;;;;DOPC;MDCG;27;1;"MARTINI bead: SNd_SNd";;;;;;;0.87;;-3.34;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM399045;MM399045;C#Cc1oc(=O)oc1C=C;RKMHJDADMDSBTM-UHFFFAOYSA-N;136.11;0.86;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNa_P1";;;;;;;0.04;;-2.54;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM399046;MM399046;CC1=C(N)C(=N)N(C)C1=N;YVDRNHIPDRWIFE-UHFFFAOYSA-N;138.17;0.12;;;;;DOPC;MDCG;27;1;"MARTINI bead: SNd_SP2";;;;;;;-0.24;;-4.84;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM399047;MM399047;C#Cc1oc(=O)oc1C=O;PQMZXBZVSXRTDB-UHFFFAOYSA-N;138.08;0.03;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_SNa";;;;;;;-0.24;;-3.24;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM399048;MM399048;CN1C(=N)C(N)=C(N)C1=N;BKUKVXBQMKBMDY-UHFFFAOYSA-N;139.16;-0.98;;;;;DOPC;MDCG;27;1;"MARTINI bead: SP2_SP2";;;;;;;-1.34;;-6.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM399049;MM399049;C#Cc1oc(=O)oc1C#N;UCQQZPLIOHKOSH-UHFFFAOYSA-N;135.08;0.09;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNa_P2";;;;;;;-0.24;;-3.24;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM399050;MM399050;CC1=C(C)C(=O)N(C)C1=N;LIWCCPOSGRWNDQ-UHFFFAOYSA-N;138.17;0.77;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNd_SNda";;;;;;;0.87;;-1.92;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM399051;MM399051;C#Cc1oc(=O)oc1C#C;SKDQLCKRUUFTIY-UHFFFAOYSA-N;134.09;0.2;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_SNa";;;;;;;0.04;;-2.54;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM399052;MM399052;CC1=C(C)C(=O)N(C)C1=O;BOFFSYCYDOFJBZ-UHFFFAOYSA-N;139.15;0.32;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP1_SNda";;;;;;;0.04;;-2.73;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM399053;MM399053;CCC12CC(C)CC1C2C;GOPQRYUIOPDSRH-UHFFFAOYSA-N;138.25;3.08;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC3_SC3";;;;;;;4.27;;0.2;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM399054;MM399054;C=C1C(C)=C(C)C(=N)N1N;WGJYTYVKEYPAAK-UHFFFAOYSA-N;137.19;1;;;;;DOPC;MDCG;27;1;"MARTINI bead: SP1_SN0";;;;;;;0.34;;-3.4;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM399055;MM399055;CC1CC2C(C)C2(CN)C1;OXEYPXHTAZGVAL-UHFFFAOYSA-N;139.24;1.63;;;;;DOPC;MDCG;27;1;"MARTINI bead: SC3_SNd";;;;;;;2.57;;-1.2;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM399056;MM399056;C=C1C(N)=C(C)C(=N)N1N;XKFJTADXXZFIKR-UHFFFAOYSA-N;138.17;-0.1;;;;;DOPC;MDCG;27;1;"MARTINI bead: SP1_SNd";;;;;;;0.04;;-4.18;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM399057;MM399057;CCC12CC(N)CC1C2C;WAHMXJVCWRXNOV-UHFFFAOYSA-N;139.24;1.77;;;;;DOPC;MDCG;27;1;"MARTINI bead: SC3_SNd";;;;;;;2.57;;-1.73;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM399058;MM399058;CCC1CC(C=O)=NN1;CIDPLXJMRQJQGM-UHFFFAOYSA-N;126.16;0.31;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNd_SP1";;;;;;;0.04;;-2.63;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM399059;MM399059;CNC12CC(O)CC1C2C;KZMYFEWVAOAQEF-UHFFFAOYSA-N;141.21;0.37;;;;;DOPC;MDCG;27;1;"MARTINI bead: SNd_SNda";;;;;;;0.87;;-4.44;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM399060;MM399060;C=C1C(C)C(C)=C(C)C1C;AMGOTXDUPZEKAA-UHFFFAOYSA-N;136.24;3.16;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC1_SC4";;;;;;;4.24;;0.42;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM399061;MM399061;C=CC12CC(C)CC1C2C;XSUIKFNKOGAXJV-UHFFFAOYSA-N;136.24;2.85;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC3_SC4";;;;;;;3.9;;0.47;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM399062;MM399062;C=C1C(C)C(C)=C(C)C1N;WQGIXSRUADXVSC-UHFFFAOYSA-N;137.23;1.86;;;;;DOPC;MDCG;27;1;"MARTINI bead: SNd_SC4";;;;;;;2.2;;-1.39;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM399063;MM399063;C=CC12CC(N)CC1C2C;UQUMFHAGUUKZHG-UHFFFAOYSA-N;137.23;1.55;;;;;DOPC;MDCG;27;1;"MARTINI bead: SNd_SC4";;;;;;;2.2;;-2.43;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM399064;MM399064;CC1=C(C)C(C)C(=O)C1C;XIWFHVYYOPVFGB-UHFFFAOYSA-N;138.21;2.18;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC3_SNa";;;;;;;2.57;;0.45;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM399065;MM399065;CC1C2CC(O)CC12C#N;KQJWXLOFRUHRGX-UHFFFAOYSA-N;137.18;0.92;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNda_SN0";;;;;;;1.17;;-1.13;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM399066;MM399066;CC1=C(C)N(C)C(=N)C1C;CZMZNRWTDJBUEJ-UHFFFAOYSA-N;138.21;1.84;;;;;DOPC;MDCG;27;1;"MARTINI bead: SNd_SN0";;;;;;;1.17;;-4.68;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM399067;MM399067;C=CC12CC(F)CC1C2C;NHRNPUMSLNTFNO-UHFFFAOYSA-N;140.2;2.56;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC5_SC4";;;;;;;2.97;;0.45;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM399068;MM399068;CC1=C(C)N(N)C(=N)C1C;QNFTZNDHGWZVBO-UHFFFAOYSA-N;139.2;1.08;;;;;DOPC;MDCG;27;1;"MARTINI bead: SN0_SP1";;;;;;;0.34;;-4.01;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM399069;MM399069;C=CC12CC(C)NC1C2C;KETFNSFRYSXEJK-UHFFFAOYSA-N;137.23;1.56;;;;;DOPC;MDCG;27;1;"MARTINI bead: SNd_SN0";;;;;;;1.17;;-4.53;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM399070;MM399070;Cc1c(C)n(C)c(=N)n1C;WEXCHJGHUKIJND-UHFFFAOYSA-N;139.2;0.46;;;;;DOPC;MDCG;27;1;"MARTINI bead: SN0_SP1";;;;;;;0.34;;-5.97;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM399071;MM399071;C=CC12NC(C)CC1C2C;XAWPLNICRPUMJS-UHFFFAOYSA-N;137.23;1.56;;;;;DOPC;MDCG;27;1;"MARTINI bead: SNd_SN0";;;;;;;1.17;;-4.21;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM399072;MM399072;Cc1c(N)n(C)c(=N)n1C;TVURYKZGAOTMBR-UHFFFAOYSA-N;140.19;-0.27;;;;;DOPC;MDCG;27;1;"MARTINI bead: SP1_SP1";;;;;;;-0.79;;-7.8;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM399073;MM399073;C=CC12OC(C)CC1C2C;BEVQTSXZKSVIBK-UHFFFAOYSA-N;138.21;1.99;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNa_SN0";;;;;;;1.17;;-1.18;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM399074;MM399074;Cc1c(O)n(C)c(=N)n1C;WMUAQXOHTUIQFZ-UHFFFAOYSA-N;141.17;-0.14;;;;;DOPC;MDCG;27;1;"MARTINI bead: SP1_SP1";;;;;;;-0.79;;-5.64;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM399075;MM399075;C=CC12CN(C)CC1C2C;YJISNROQKRGCJH-UHFFFAOYSA-N;137.23;1.37;;;;;DOPC;MDCG;27;1;"MARTINI bead: SNd_SC4";;;;;;;2.2;;-1.62;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM399076;MM399076;Cc1c(F)n(C)c(=N)n1C;CQDIRTVKVDDDTE-UHFFFAOYSA-N;143.17;0.29;;;;;DOPC;MDCG;27;1;"MARTINI bead: SNa_SP1";;;;;;;0.04;;-4.3;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM399077;MM399077;CC1C2CN(C)CC12C=O;XZKYOOYBQBFSAV-UHFFFAOYSA-N;139.2;0.38;;;;;DOPC;MDCG;27;1;"MARTINI bead: SNd_SNa";;;;;;;0.87;;-3.34;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM399078;MM399078;Cn1c(N)c(N)n(C)c1=N;YIVJWCXTUGILBU-UHFFFAOYSA-N;141.18;-0.99;;;;;DOPC;MDCG;27;1;"MARTINI bead: SP2_SP1";;;;;;;-1.06;;-8.53;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM399079;MM399079;C#CC12CC(C)CC1C2C;RGPOKBDRADBEAE-UHFFFAOYSA-N;134.22;2.3;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC3_SC5";;;;;;;3.34;;0.48;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM399080;MM399080;Cn1c(N)c(O)n(C)c1=N;PFBUVGYXORQGGQ-UHFFFAOYSA-N;142.16;-0.87;;;;;DOPC;MDCG;27;1;"MARTINI bead: SP1_SP1";;;;;;;-0.79;;-6.19;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM399081;MM399081;C#CC(C)C(C)(O)C=C;ONWPXZBWZDYDPW-UHFFFAOYSA-N;124.18;1.19;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_Nda";;;;;;;1.64;;0.05;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM399082;MM399082;Cn1c(N)c(F)n(C)c1=N;ZNKYPGIJGCPSIT-UHFFFAOYSA-N;144.15;-0.44;;;;;DOPC;MDCG;27;1;"MARTINI bead: SNda_SP1";;;;;;;0.04;;-4.93;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM399083;MM399083;C#CC12CC(F)CC1C2C;NKWZJONLUOHLHU-UHFFFAOYSA-N;138.19;2;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC5_SC5";;;;;;;2.41;;0.64;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM399084;MM399084;Cc1c(C)n(N)c(=N)n1C;ULIPQENFHQYJFK-UHFFFAOYSA-N;140.19;-0.36;;;;;DOPC;MDCG;27;1;"MARTINI bead: SP2_SP1";;;;;;;-1.06;;-7.64;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM399085;MM399085;C#CC12CC(C)CC1C2N;QECNRFPMASEMJI-UHFFFAOYSA-N;135.21;0.99;;;;;DOPC;MDCG;27;1;"MARTINI bead: SC3_SNd";;;;;;;2.57;;-1.05;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM399086;MM399086;Cc1c(N)n(N)c(=N)n1C;UHLGXLNCVAJVCQ-UHFFFAOYSA-N;141.18;-1.09;;;;;DOPC;MDCG;27;1;"MARTINI bead: SP1_SP1";;;;;;;-0.79;;-7.36;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM399087;MM399087;C#CC12CN(C)CC1C2C;JKPXDJCTOMIIMO-UHFFFAOYSA-N;135.21;0.82;;;;;DOPC;MDCG;27;1;"MARTINI bead: SNd_SC5";;;;;;;1.64;;-1.97;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM399088;MM399088;Cc1c(O)n(N)c(=N)n1C;MRZZPPCGVLPQPZ-UHFFFAOYSA-N;142.16;-0.97;;;;;DOPC;MDCG;27;1;"MARTINI bead: SP1_SP1";;;;;;;-0.79;;-5.24;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM399089;MM399089;C#CC12CN(C)CC1C2N;KLFHNUYQHFUKKG-UHFFFAOYSA-N;136.2;-0.49;;;;;DOPC;MDCG;27;1;"MARTINI bead: SNd_SP2";;;;;;;-0.24;;-5.26;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM399090;MM399090;Cc1c(F)n(N)c(=N)n1C;PLCJDFJUOSGYHQ-UHFFFAOYSA-N;144.15;-0.53;;;;;DOPC;MDCG;27;1;"MARTINI bead: SNda_SP1";;;;;;;0.04;;-4.09;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM399091;MM399091;C#CC12CC(N)CC1N2C;QMRJELSLBWNTAW-UHFFFAOYSA-N;136.2;-0.21;;;;;DOPC;MDCG;27;1;"MARTINI bead: SNd_SP1";;;;;;;0.04;;-5.24;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM399092;MM399092;Cc1c(N)n(C)c(=N)n1N;XVWGRPFLKJUGAU-UHFFFAOYSA-N;141.18;-1.09;;;;;DOPC;MDCG;27;1;"MARTINI bead: SP1_SP2";;;;;;;-1.06;;-7.88;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM399093;MM399093;C=C1CC2C(C)C2(CC)C1;ZHHHWNJJWUWCII-UHFFFAOYSA-N;136.24;3;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC3_SC4";;;;;;;3.9;;0.47;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM399094;MM399094;Cn1c(N)c(N)n(N)c1=N;QRNDVYAGGXPZPQ-UHFFFAOYSA-N;142.17;-1.82;;;;;DOPC;MDCG;27;1;"MARTINI bead: SP2_SP1";;;;;;;-1.06;;-8.24;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM399095;MM399095;C=C1CC2C(C)C2(CN)C1;PULGCBWCXAUJCY-UHFFFAOYSA-N;137.23;1.55;;;;;DOPC;MDCG;27;1;"MARTINI bead: SC4_SNd";;;;;;;2.2;;-1.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM399096;MM399096;Cn1c(N)c(O)n(N)c1=N;OINALXAXYUXQNB-UHFFFAOYSA-N;143.15;-1.69;;;;;DOPC;MDCG;27;1;"MARTINI bead: SP2_SP3";;;;;;;-2.2;;-7.8;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM399097;MM399097;CNC12CC(=O)CC1C2C;FLYUNFNRTCQFLU-UHFFFAOYSA-N;139.2;0.57;;;;;DOPC;MDCG;27;1;"MARTINI bead: SNd_SNa";;;;;;;0.87;;-4.2;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM399098;MM399098;Cn1c(N)c(F)n(N)c1=N;UTRCGFFWCWQFBF-UHFFFAOYSA-N;145.14;-1.26;;;;;DOPC;MDCG;27;1;"MARTINI bead: SP1_SP1";;;;;;;-0.79;;-4.98;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM399099;MM399099;CCC12CC(=N)NC1C2C;SPNYMISVHWTZKR-UHFFFAOYSA-N;138.21;1.37;;;;;DOPC;MDCG;27;1;"MARTINI bead: SN0_SNd";;;;;;;1.17;;-5.54;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM399100;MM399100;Cc1c(O)n(C)c(=N)n1N;BMPDNASEIKRNCK-UHFFFAOYSA-N;142.16;-0.97;;;;;DOPC;MDCG;27;1;"MARTINI bead: SP1_SP2";;;;;;;-1.06;;-5.78;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM399101;MM399101;CCC12NC(=N)CC1C2C;ZZBFNQSMSJWCNA-UHFFFAOYSA-N;138.21;1.37;;;;;DOPC;MDCG;27;1;"MARTINI bead: SN0_SNd";;;;;;;1.17;;-5.37;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM399102;MM399102;Cn1c(O)c(N)n(N)c1=N;CXKVVEWVNMKJAH-UHFFFAOYSA-N;143.15;-1.69;;;;;DOPC;MDCG;27;1;"MARTINI bead: SP1_SP5";;;;;;;-1.94;;-8.29;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM399103;MM399103;CCC12NC(=O)CC1C2C;JJSYWTXAYPNHFG-UHFFFAOYSA-N;139.2;0.92;;;;;DOPC;MDCG;27;0;"MARTINI bead: SN0_SP2";;;;;;;0.06;;-2.21;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM399104;MM399104;Cc1c(F)n(C)c(=N)n1N;IDTSGFURKIDYEU-UHFFFAOYSA-N;144.15;-0.53;;;;;DOPC;MDCG;27;1;"MARTINI bead: SNa_SP2";;;;;;;-0.24;;-4.43;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM399105;MM399105;C=C1CC2C(C)C2(CC)O1;IHALBUMPEHQNHI-UHFFFAOYSA-N;138.21;2.34;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC5_SNa";;;;;;;1.64;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM399106;MM399106;Cn1c(F)c(N)n(N)c1=N;PHCAVAZDFCQDIE-UHFFFAOYSA-N;145.14;-1.26;;;;;DOPC;MDCG;27;1;"MARTINI bead: SNda_SP2";;;;;;;-0.24;;-5.07;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM399107;MM399107;C=CC12CC(=C)CC1C2C;NIWFISIJOCINGN-UHFFFAOYSA-N;134.22;2.77;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC4_SC4";;;;;;;3.53;;0.53;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM399108;MM399108;Cn1c(F)c(F)n(N)c1=N;ORRBAOKEXVEZFF-UHFFFAOYSA-N;148.12;-0.7;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNa_SP2";;;;;;;-0.24;;-3.24;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM399109;MM399109;C=C1CC2C(C)C2(C=O)C1;CNXUMMNKBJMVCG-UHFFFAOYSA-N;136.19;1.79;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC4_SNa";;;;;;;2.2;;0.34;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM399110;MM399110;Cc1c(C)n(O)c(=N)n1C;OJXKSSDCUALKFY-UHFFFAOYSA-N;141.17;0.16;;;;;DOPC;MDCG;27;1;"MARTINI bead: SP2_SP1";;;;;;;-1.06;;-6.08;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM399111;MM399111;Cc1c(N)n(O)c(=N)n1C;ZZDNBBGVLWUKCU-UHFFFAOYSA-N;142.16;-0.57;;;;;DOPC;MDCG;27;1;"MARTINI bead: SP1_SP1";;;;;;;-0.79;;-5.81;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM399112;MM399112;C=C1CC2C(C)C2(C#N)C1;WUEGEDYFUOMPCQ-UHFFFAOYSA-N;133.19;2.11;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC4_SN0";;;;;;;2.5;;0.44;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM399113;MM399113;Cc1c(N)n(C)c(=N)n1O;DBHLUTHKJNMKOG-UHFFFAOYSA-N;142.16;-0.57;;;;;DOPC;MDCG;27;1;"MARTINI bead: SP2_SP2";;;;;;;-1.34;;-6.85;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM399114;MM399114;CC1C2CC(=O)CC12C#N;RHONMMXLIRYFPU-UHFFFAOYSA-N;135.17;1.13;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNa_SN0";;;;;;;1.17;;-1.18;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM399115;MM399115;Cn1c(N)c(N)n(O)c1=N;ZVTYTIXLDYVJEE-UHFFFAOYSA-N;143.15;-1.29;;;;;DOPC;MDCG;27;1;"MARTINI bead: SP2_SP2";;;;;;;-1.34;;-7.35;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM399116;MM399116;C=CC12CC(=C)CC1C2N;SUZBDUQTFHBCQW-UHFFFAOYSA-N;135.21;1.47;;;;;DOPC;MDCG;27;1;"MARTINI bead: SC4_SNd";;;;;;;2.2;;-1.7;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM399117;MM399117;Cn1c(N)c(O)n(O)c1=N;DLDYIQPZEFJGLU-UHFFFAOYSA-N;144.13;-1.17;;;;;DOPC;MDCG;27;1;"MARTINI bead: SP2_SP1";;;;;;;-1.06;;-4.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM399118;MM399118;C=C1CC2(C#N)C(C)C2O1;CTWVQQUYYKQDGW-UHFFFAOYSA-N;135.17;1.45;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNa_SN0";;;;;;;1.17;;-1.18;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM399119;MM399119;Cn1c(O)c(N)n(O)c1=N;LVTOONWTIHIXSS-UHFFFAOYSA-N;144.13;-1.17;;;;;DOPC;MDCG;27;1;"MARTINI bead: SP1_SP3";;;;;;;-1.93;;-5.76;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM399120;MM399120;CC1C2CC(=N)NC12C#N;OZLCDMRWFQPXIV-UHFFFAOYSA-N;135.17;0.49;;;;;DOPC;MDCG;27;1;"MARTINI bead: SNd_SN0";;;;;;;1.17;;-3.19;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM399121;MM399121;C#CC(=NN)NN1CC1;JEXGZAIGXJKNHW-UHFFFAOYSA-N;124.15;-1.29;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_SP3";;;;;;;-1.93;;-4.72;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM399122;MM399122;C#CC12CC(=C)CC1C2C;VAFAVFFJMJCXME-UHFFFAOYSA-N;132.21;2.22;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC4_SC5";;;;;;;2.97;;0.45;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM399123;MM399123;Cc1c(C)n(N)c(=N)n1N;XEADYNXVTQVOMB-UHFFFAOYSA-N;141.18;-1.19;;;;;DOPC;MDCG;27;1;"MARTINI bead: SP2_SP1";;;;;;;-1.06;;-7.11;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM399124;MM399124;CCC12CC(C)=CC1C2C;KPFKKSGDOMSEDI-UHFFFAOYSA-N;136.24;3;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC4_SC4";;;;;;;3.53;;0.53;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM399125;MM399125;Cc1c(N)n(N)c(=N)n1N;ICQJFBCKBIWLTR-UHFFFAOYSA-N;142.17;-1.91;;;;;DOPC;MDCG;27;1;"MARTINI bead: SP2_SP2";;;;;;;-1.34;;-7.97;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM399126;MM399126;CCC12CC(F)=CC1C2C;JZGBKCXXXPJKKN-UHFFFAOYSA-N;140.2;2.91;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC4_SC5";;;;;;;2.97;;0.45;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM399127;MM399127;Cc1c(O)n(N)c(=N)n1N;IKZUFHOMTRMSMQ-UHFFFAOYSA-N;143.15;-1.79;;;;;DOPC;MDCG;27;1;"MARTINI bead: SP1_SP2";;;;;;;-1.06;;-5.4;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM399128;MM399128;CC1=CC2C(N)C2(CN)C1;NBOQAYKMFLHZTE-UHFFFAOYSA-N;138.21;0.24;;;;;DOPC;MDCG;27;1;"MARTINI bead: SC4_SP1";;;;;;;1.37;;-2.28;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM399129;MM399129;N=c1n(N)c(N)c(N)n1N;RAKNDCRFGULENM-UHFFFAOYSA-N;143.15;-2.64;;;;;DOPC;MDCG;27;1;"MARTINI bead: SP5_SP2";;;;;;;-2.22;;-9.29;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM399130;MM399130;CNC12CC(C)=CC1C2C;UKXRJXRKSFJBCG-UHFFFAOYSA-N;137.23;1.56;;;;;DOPC;MDCG;27;1;"MARTINI bead: SNd_SC4";;;;;;;2.2;;-2.19;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM399131;MM399131;N=c1n(N)c(N)c(O)n1N;FOVZBGXBZBHLIC-UHFFFAOYSA-N;144.14;-2.52;;;;;DOPC;MDCG;27;1;"MARTINI bead: SP2_SP2";;;;;;;-1.34;;-6.55;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM399132;MM399132;CNC12CC(F)=CC1C2C;WGYLAMWNGYGZTL-UHFFFAOYSA-N;141.19;1.47;;;;;DOPC;MDCG;27;1;"MARTINI bead: SNd_SC5";;;;;;;1.64;;-2.2;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM399133;MM399133;N=c1n(N)c(N)c(F)n1N;KLRCMCBIXKJABH-UHFFFAOYSA-N;146.13;-2.08;;;;;DOPC;MDCG;27;1;"MARTINI bead: SP1_SP2";;;;;;;-1.06;;-5.24;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM399134;MM399134;C=CC12CC(C)=CC1C2C;XNJPLVJBXHRSMM-UHFFFAOYSA-N;134.22;2.77;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC4_SC4";;;;;;;3.53;;0.53;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM399135;MM399135;N=c1n(N)c(F)c(F)n1N;IYWMCJJYLWQOIZ-UHFFFAOYSA-N;149.1;-1.53;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP2_SP1";;;;;;;-1.06;;-3.82;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM399136;MM399136;CC1=CC2C(C)C2(C#N)C1;JMPKGXWZONRYMD-UHFFFAOYSA-N;133.19;2.11;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC4_SN0";;;;;;;2.5;;0.44;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM399137;MM399137;Cc1c(C)n(O)c(=N)n1N;LPFHMFDNRLYUKY-UHFFFAOYSA-N;142.16;-0.66;;;;;DOPC;MDCG;27;1;"MARTINI bead: SP1_SP2";;;;;;;-1.06;;-5.5;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM399138;MM399138;C=CC12OC(C)=CC1C2C;QBFVJAGQUDNHCJ-UHFFFAOYSA-N;136.19;2.11;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNa_SC4";;;;;;;2.2;;0.34;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM399139;MM399139;Cc1c(N)n(O)c(=N)n1N;ABCDORMDMGOXDZ-UHFFFAOYSA-N;143.15;-1.39;;;;;DOPC;MDCG;27;1;"MARTINI bead: SP2_SP2";;;;;;;-1.34;;-6.44;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM399140;MM399140;C#CC12CC(C)=CC1C2C;HPIMQVDVRGOXNC-UHFFFAOYSA-N;132.21;2.22;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC4_SC5";;;;;;;2.97;;0.45;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM399141;MM399141;Cc1c(N)n(N)c(=N)n1O;VZBFTRAPVDNZLK-UHFFFAOYSA-N;143.15;-1.39;;;;;DOPC;MDCG;27;1;"MARTINI bead: SP2_SP2";;;;;;;-1.34;;-6.4;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM399142;MM399142;C#CC12CC(C)=CC1C2N;WKUJPZPAYSRZEY-UHFFFAOYSA-N;133.19;0.91;;;;;DOPC;MDCG;27;1;"MARTINI bead: SC4_SNd";;;;;;;2.2;;-1.68;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM399143;MM399143;N=c1n(N)c(N)c(N)n1O;VMXMDVMKOUBNPQ-UHFFFAOYSA-N;144.14;-2.12;;;;;DOPC;MDCG;27;1;"MARTINI bead: SP3_SP2";;;;;;;-2.2;;-7.77;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM399144;MM399144;C#CC12CC(C)=CC1N2C;PPLUHAMSQBAXSV-UHFFFAOYSA-N;133.19;1.02;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC4_SP1";;;;;;;1.37;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM399145;MM399145;CCCCC(=O)C1CN1;BLTKDAJLXZQSFJ-UHFFFAOYSA-N;127.19;0.72;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1_SP2";;;;;;;1.8;;0.41;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM399146;MM399146;CCOC(=N)NC=NN;LGJORWZUILPDAS-UHFFFAOYSA-N;130.15;-0.55;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_P5";;;;;;;-0.34;;-3.42;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM399147;MM399147;CCC#CC(=O)C1CN1;IQDXIOGGKQZAIO-UHFFFAOYSA-N;123.16;-0.06;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_SP2";;;;;;;0.54;;-1.09;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM399148;MM399148;CC1(C)CC1C1NC1CN;SXKKHQCLQURIGV-UHFFFAOYSA-N;140.23;0.33;;;;;DOPC;MDCG;27;1;"MARTINI bead: SC4_SP2";;;;;;;1.09;;-2.29;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM399149;MM399149;N=c1n(O)c(N)c(N)n1O;PFPKZBYFALQIOS-UHFFFAOYSA-N;145.12;-1.59;;;;;DOPC;MDCG;27;1;"MARTINI bead: SP3_SP2";;;;;;;-2.2;;-6.22;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM399150;MM399150;CC1(N)CC1C1CN1C=N;QNOYWNKPZNDBRU-UHFFFAOYSA-N;139.2;0.01;;;;;DOPC;MDCG;27;1;"MARTINI bead: SNd_SP2";;;;;;;-0.24;;-6.32;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM399151;MM399151;O=C(C#CCF)C1CN1;TWJGLEKRQRLIAI-UHFFFAOYSA-N;127.12;-0.5;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_SP2";;;;;;;-0.24;;-3.24;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM399152;MM399152;CC1(F)CC1C1CN1C=N;OQARZWNRJXWCCL-UHFFFAOYSA-N;142.18;1.03;;;;;DOPC;MDCG;27;1;"MARTINI bead: SC5_SP2";;;;;;;0.54;;-4.2;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM399153;MM399153;N=CNC(=O)NCC(=O)O;AVDOFHJDFHHTID-UHFFFAOYSA-N;145.12;-1.02;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_P4";;;;;;;-2.01;;-8.83;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM399154;MM399154;C#CC1CC1C1CC1(C)C;CHISTZXFWZAOQX-UHFFFAOYSA-N;134.22;2.3;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC4_SC5";;;;;;;2.97;;0.45;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM399155;MM399155;CC(=CC(C)C)C(C)(C)O;AGSCMINMRQRFCF-UHFFFAOYSA-N;142.24;2.36;;;;;DOPC;MDCG;27;0;"MARTINI bead: C3_C5";;;;;;;3.34;;0.48;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM399156;MM399156;C#CC1CC1C1CC1(F)F;VSKUOBHFSFBPIC-UHFFFAOYSA-N;142.15;1.91;;;;;DOPC;MDCG;27;0;"MARTINI bead: SN0_SC5";;;;;;;1.94;;0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM399157;MM399157;Cc1c(C)n(C)c(=O)n1C;SCNTXMCSFWQUMR-UHFFFAOYSA-N;140.19;0.34;;;;;DOPC;MDCG;27;0;"MARTINI bead: SN0_SP1";;;;;;;0.34;;-1.53;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM399158;MM399158;C#CC1OC1C1CC1(C)N;ORYXZJIBCRGVID-UHFFFAOYSA-N;137.18;0.12;;;;;DOPC;MDCG;27;1;"MARTINI bead: SNd_SNa";;;;;;;0.87;;-4.68;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM399159;MM399159;Cc1c(N)n(C)c(=O)n1C;SMSUKNOGCQCMPD-UHFFFAOYSA-N;141.17;-0.39;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP1_SP1";;;;;;;-0.79;;-3.13;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM399160;MM399160;C#CC1OC1C1OC1(C)C;OJRMTUAWSDLZRS-UHFFFAOYSA-N;138.17;0.56;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNa_SNa";;;;;;;0.87;;-2.22;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM399161;MM399161;Cc1c(F)n(C)c(=O)n1C;MXIIOPFWAHXNBB-UHFFFAOYSA-N;144.15;0.17;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNa_SP2";;;;;;;-0.24;;-3.24;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM399162;MM399162;CON=CN(C)C=NN;NLJXNYBZKZUSBR-UHFFFAOYSA-N;130.15;-0.59;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_P1";;;;;;;-0.79;;-3.13;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM399163;MM399163;Cn1c(N)c(N)n(C)c1=O;BISRYBPSRZRIRG-UHFFFAOYSA-N;142.16;-1.11;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP2_SP2";;;;;;;-1.34;;-4.31;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM399164;MM399164;C=C1C2CC2N(C)C1(C)C;MBOXNIQTFQGPFJ-UHFFFAOYSA-N;137.23;1.66;;;;;DOPC;MDCG;27;1;"MARTINI bead: SNd_SN0";;;;;;;1.17;;-3.14;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM399165;MM399165;Cn1c(N)c(O)n(C)c1=O;NPUYXQNREWQYNU-UHFFFAOYSA-N;143.15;-0.99;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP1_SP2";;;;;;;-1.06;;-3.82;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM399166;MM399166;C=C1C2CC2C(=C)C1(C)C;UAAZAUHTFBGYGN-UHFFFAOYSA-N;134.22;2.77;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC1_SC5";;;;;;;3.68;;0.46;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM399167;MM399167;Cn1c(N)c(F)n(C)c1=O;MMNZPCRUUWKENE-UHFFFAOYSA-N;145.14;-0.55;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNda_SP2";;;;;;;-0.24;;-3.31;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM399168;MM399168;C=C1C2NC2C(=C)C1(C)C;VEBNBFVBVBTCEZ-UHFFFAOYSA-N;135.21;1.48;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC1_SP1";;;;;;;2.08;;0.5;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM399169;MM399169;O=c1nn[nH][nH]c1=O;QMLFVAPMHNGCDQ-UHFFFAOYSA-N;114.06;-2.15;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP3_SP2";;;;;;;-2.2;;-9.13;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM399170;MM399170;C=C1C2OC2C(=C)C1(C)C;GDPOYVLANCMLSG-UHFFFAOYSA-N;136.19;1.91;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC1_SNa";;;;;;;2.91;;0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM399171;MM399171;C=CCC(C=O)=CC(=O)O;CCJOMGAUABCQEC-UHFFFAOYSA-N;140.14;0.77;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_C5";;;;;;;0.81;;-4.63;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM399172;MM399172;CCC1CC2C(C1)C2(C)C;PXOCIGXADRHQLV-UHFFFAOYSA-N;138.25;3.08;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC1_SC4";;;;;;;4.24;;0.42;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM399173;MM399173;Cn1c(F)c(F)n(C)c1=O;CLSUGJAGDSUFME-UHFFFAOYSA-N;148.11;;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNa_SP2";;;;;;;-0.24;;-3.24;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM399174;MM399174;CC1(C)C2CC(CN)CC21;CDPZRIFBXVOGSM-UHFFFAOYSA-N;139.24;1.63;;;;;DOPC;MDCG;27;1;"MARTINI bead: SC4_SC5";;;;;;;2.97;;-0.07;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM399175;MM399175;Cc1c(C)n(N)c(=O)n1C;FDWIEDPWIUJYLF-UHFFFAOYSA-N;141.17;-0.48;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP2_SP1";;;;;;;-1.06;;-3.82;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM399176;MM399176;CN(C=NN)C=NC=N;DKVGOZHQYSDIEA-UHFFFAOYSA-N;127.15;-0.54;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_P1";;;;;;;-1.06;;-3.82;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM399177;MM399177;Cc1c(N)n(N)c(=O)n1C;MNCWFKTXTFPJQW-UHFFFAOYSA-N;142.16;-1.21;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP1_SP2";;;;;;;-1.06;;-3.82;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM399178;MM399178;CCC1CC2C(C1)C2(C)N;YVHUOKPZMVZCOM-UHFFFAOYSA-N;139.24;1.77;;;;;DOPC;MDCG;27;1;"MARTINI bead: SC1_SNd";;;;;;;2.91;;-0.65;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM399179;MM399179;Cc1c(F)n(N)c(=O)n1C;HPGFKNYFZWNZHF-UHFFFAOYSA-N;145.14;-0.65;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNda_SP2";;;;;;;-0.24;;-3.31;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM399180;MM399180;CC1(N)C2CC(CN)CC21;XPOSTMMNYCBBQF-UHFFFAOYSA-N;140.23;0.32;;;;;DOPC;MDCG;27;1;"MARTINI bead: SNd_SC5";;;;;;;1.64;;-3.05;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM399181;MM399181;Cc1c(N)n(C)c(=O)n1N;LWPPJWOVYHGZSG-UHFFFAOYSA-N;142.16;-1.21;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP2_SP2";;;;;;;-1.34;;-4.31;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM399182;MM399182;CC1(N)C2CC(CO)CC21;ZRHRYWXKQWLTFG-UHFFFAOYSA-N;141.21;0.35;;;;;DOPC;MDCG;27;1;"MARTINI bead: SNd_SC5";;;;;;;1.64;;-2.8;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM399183;MM399183;Cn1c(N)c(N)n(N)c1=O;QXNNDJLLUJQRFS-UHFFFAOYSA-N;143.15;-1.94;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP2_SP2";;;;;;;-1.34;;-4.31;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM399184;MM399184;CN(C=O)C(=N)CC=O;IRKAERVTCYUZQA-UHFFFAOYSA-N;128.13;-0.36;;;;;DOPC;MDCG;27;0;"MARTINI bead: P3_Na";;;;;;;-1.1;;-4.2;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM399185;MM399185;Cn1c(N)c(O)n(N)c1=O;ZHEWALIRNJGKFT-UHFFFAOYSA-N;144.13;-1.81;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP2_SP2";;;;;;;-1.34;;-4.31;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM399186;MM399186;CC1(O)C2CC(CN)CC21;DAQNAHHGTPSKAD-UHFFFAOYSA-N;141.21;0.35;;;;;DOPC;MDCG;27;1;"MARTINI bead: SNda_SC5";;;;;;;1.64;;-2.69;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM399187;MM399187;Cn1c(N)c(F)n(N)c1=O;FOCSCAXVOPBAND-UHFFFAOYSA-N;146.13;-1.38;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP1_SP2";;;;;;;-1.06;;-3.82;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM399188;MM399188;CNC1CC2C(C1)C2(C)C;KNXALPJEICCVRE-UHFFFAOYSA-N;139.24;1.64;;;;;DOPC;MDCG;27;1;"MARTINI bead: SNd_SC4";;;;;;;2.2;;-2.59;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM399189;MM399189;Cn1c(O)c(N)n(N)c1=O;JCGWANIMNANAMX-UHFFFAOYSA-N;144.13;-1.81;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP2_SP2";;;;;;;-1.34;;-4.31;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM399190;MM399190;CNC1CC2C(C1)C2(C)N;FFAQLNGRSRDIGY-UHFFFAOYSA-N;140.23;0.33;;;;;DOPC;MDCG;27;1;"MARTINI bead: SNd_SNd";;;;;;;0.87;;-5.47;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM399191;MM399191;C=CC(=O)C(C)=CC(=O)O;HMMZIRHOENPUMT-UHFFFAOYSA-N;140.14;0.77;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda_Na";;;;;;;0.87;;-6.17;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM399192;MM399192;CNC1CC2C(C1)C2(C)O;WUUBBXJUGSQAEZ-UHFFFAOYSA-N;141.21;0.37;;;;;DOPC;MDCG;27;1;"MARTINI bead: SNd_SNda";;;;;;;0.87;;-4.8;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM399193;MM399193;Cn1[nH]c(O)c(F)c1=O;INDXHAWPPWCEQS-UHFFFAOYSA-N;132.09;-0.44;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP1_SP2";;;;;;;-1.06;;-7.94;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM399194;MM399194;CNC1CC2C(C1)C2(C)F;JANCGVXKLDPCSV-UHFFFAOYSA-N;143.21;1.34;;;;;DOPC;MDCG;27;1;"MARTINI bead: SNd_SC5";;;;;;;1.64;;-3.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM399195;MM399195;Cc1c(F)n(C)c(=O)n1N;OQSDLCUOZLAHCF-UHFFFAOYSA-N;145.14;-0.65;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNa_SP2";;;;;;;-0.24;;-3.24;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM399196;MM399196;COC1CC2C(C1)C2(C)C;AACILOTWIDRJRD-UHFFFAOYSA-N;140.23;2.07;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC5_SC4";;;;;;;2.97;;0.45;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM399197;MM399197;Cn1c(F)c(N)n(N)c1=O;UADLORFJYFGWCH-UHFFFAOYSA-N;146.13;-1.38;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNa_SP4";;;;;;;-1.19;;-4.76;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM399198;MM399198;COC1CC2C(C1)C2(C)N;PJFITQDXUHKCCE-UHFFFAOYSA-N;141.21;0.76;;;;;DOPC;MDCG;27;1;"MARTINI bead: SC5_SNd";;;;;;;1.64;;-2.8;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM399199;MM399199;CN1C(=O)N=NC1=CO;RKJWMJBMMYQLCP-UHFFFAOYSA-N;127.1;0.86;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP1_SP1";;;;;;;-0.79;;-7.3;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM399200;MM399200;COC1CC2C(C1)C2(C)O;OWGKYFQLIKHWMX-UHFFFAOYSA-N;142.2;0.79;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC5_SNda";;;;;;;1.64;;0.05;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM399201;MM399201;Cn1c(F)c(F)n(N)c1=O;BWFYFJFYVCEBNG-UHFFFAOYSA-N;149.1;-0.82;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNa_SP2";;;;;;;-0.24;;-3.24;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM399202;MM399202;COC1CC2C(C1)C2(C)F;UEOFGNBXSCZMHF-UHFFFAOYSA-N;144.19;1.77;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC5_SC5";;;;;;;2.41;;0.64;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM399203;MM399203;Cc1c(F)[nH]n(C)c1=O;YDAJDQYMABATCF-UHFFFAOYSA-N;130.12;0.16;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNda_SP2";;;;;;;-0.24;;-7.42;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM399204;MM399204;CCC1CC2C(N1)C2(C)C;PUAQTPABYGOPJR-UHFFFAOYSA-N;139.24;1.78;;;;;DOPC;MDCG;27;1;"MARTINI bead: SNd_SC4";;;;;;;2.2;;-3.15;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM399205;MM399205;N#Cc1noc(O)c1O;CWKAUZZGWRSUMH-UHFFFAOYSA-N;126.07;-0.04;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNda_SNda";;;;;;;0.87;;-6.24;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM399206;MM399206;CCC1CC2C(N1)C2(C)N;TUPUKDSSHCPCKA-UHFFFAOYSA-N;140.23;0.47;;;;;DOPC;MDCG;27;1;"MARTINI bead: SNd_SNd";;;;;;;0.87;;-5.49;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM399207;MM399207;Cc1n[nH]c(O)c(C)c1=O;JVWQFLWZJTZCJI-UHFFFAOYSA-N;140.14;0.09;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP1_SP2";;;;;;;-1.06;;-7.94;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM399208;MM399208;CC1(N)C2CC(CO)NC21;GEGUFGDMQISADR-UHFFFAOYSA-N;142.2;-0.94;;;;;DOPC;MDCG;27;1;"MARTINI bead: SNd_SP1";;;;;;;0.04;;-5.36;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM399209;MM399209;N#CC#Cc1nnn[nH]1;MOSXKNFLEYFZKM-UHFFFAOYSA-N;119.09;-0.93;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP1_SP1";;;;;;;-0.79;;-7.3;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM399210;MM399210;CC1(O)C2CC(CN)NC21;IRRSZAVHYXMUIE-UHFFFAOYSA-N;142.2;-0.94;;;;;DOPC;MDCG;27;1;"MARTINI bead: SNda_SP1";;;;;;;0.04;;-5.4;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM399211;MM399211;CN=CN=C(NO)C(=O)O;XKBJDUGQTSNOBF-UHFFFAOYSA-N;145.12;-0.89;;;;;DOPC;MDCG;27;0;"MARTINI bead: N0_P3";;;;;;;-0.8;;-6.91;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM399212;MM399212;CC1(F)C2CC(CN)NC21;PJTUMGCRJUGUNB-UHFFFAOYSA-N;144.19;0.03;;;;;DOPC;MDCG;27;1;"MARTINI bead: SC5_SP1";;;;;;;0.81;;-2.63;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM399213;MM399213;CC(=N)N=C(NO)C(=O)O;XYFDPADQHSQANT-UHFFFAOYSA-N;145.12;-0.55;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nd_P3";;;;;;;-1.1;;-7.89;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM399214;MM399214;CCC1CC2C(O1)C2(C)C;LYILIHBSPXKFKK-UHFFFAOYSA-N;140.23;2.21;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC5_SC4";;;;;;;2.97;;0.45;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM399215;MM399215;CN(O)C(=NC=N)C(=O)O;MGMDSPRUVFDOIG-UHFFFAOYSA-N;145.12;-0.6;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_P1";;;;;;;-1.06;;-7.94;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM399216;MM399216;CCC1CC2C(O1)C2(C)O;NIHFYUYIJHNLNH-UHFFFAOYSA-N;142.2;0.93;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC5_SNda";;;;;;;1.64;;0.05;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM399217;MM399217;C=Cc1cc(O)on1;HBVPVTNUYCCDRB-UHFFFAOYSA-N;111.1;1.02;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNda_SNa";;;;;;;0.87;;-6.17;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM399218;MM399218;CCC1CC2C(O1)C2(C)F;XLIHYISWRVWHCX-UHFFFAOYSA-N;144.19;1.91;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC5_SC5";;;;;;;2.41;;0.64;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM399219;MM399219;O=CNC(C=NO)C(=O)O;DMIMBZMCMSZMHP-UHFFFAOYSA-N;146.1;-1.35;;;;;DOPC;MDCG;27;0;"MARTINI bead: P3_P1";;;;;;;-1.93;;-8.63;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM399220;MM399220;CCN1CC2C(C1)C2(C)C;KNLFTAYQVRRHDP-UHFFFAOYSA-N;139.24;1.59;;;;;DOPC;MDCG;27;1;"MARTINI bead: SNd_SC4";;;;;;;2.2;;-2.17;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM399221;MM399221;NC(=O)C(N)=CC(=O)O;BAAVWUURKBFVLK-UHFFFAOYSA-N;130.1;-1.6;;;;;DOPC;MDCG;27;0;"MARTINI bead: P4_P1";;;;;;;-2.01;;-8.83;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM399222;MM399222;CCN1CC2C(C1)C2(C)N;ASFOMKVBXRXMOT-UHFFFAOYSA-N;140.23;0.29;;;;;DOPC;MDCG;27;1;"MARTINI bead: SNd_SNd";;;;;;;0.87;;-4.84;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM399223;MM399223;Cc1c(C)n(N)c(=O)n1N;BRAAFSRNGLEDIV-UHFFFAOYSA-N;142.16;-1.31;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP1_SP2";;;;;;;-1.06;;-3.82;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM399224;MM399224;CCN1CC2C(C1)C2(C)O;MVWHUPCIIPQIMF-UHFFFAOYSA-N;141.21;0.32;;;;;DOPC;MDCG;27;1;"MARTINI bead: SNd_SNda";;;;;;;0.87;;-3.93;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM399225;MM399225;Cc1c(N)n(N)c(=O)n1N;IULBVMYEUVBHPA-UHFFFAOYSA-N;143.15;-2.03;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP4_SP1";;;;;;;-2.01;;-5.13;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM399226;MM399226;CCN1CC2C(C1)C2(C)F;JIDQVBXOFNMCNL-UHFFFAOYSA-N;143.21;1.3;;;;;DOPC;MDCG;27;1;"MARTINI bead: SNd_SC5";;;;;;;1.64;;-1.92;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM399227;MM399227;Cc1c(F)n(N)c(=O)n1N;IPNBKOSIPDYGSG-UHFFFAOYSA-N;146.13;-1.48;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP1_SP2";;;;;;;-1.06;;-3.82;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM399228;MM399228;CCC1CC2N(C1)C2(C)C;PMNNMRMANOFJQX-UHFFFAOYSA-N;139.24;1.88;;;;;DOPC;MDCG;27;1;"MARTINI bead: SN0_SNd";;;;;;;1.17;;-2.21;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM399229;MM399229;Nc1c(N)n(N)c(=O)n1N;PTQQLSIAOJNQRB-UHFFFAOYSA-N;144.14;-2.76;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP2_SP4";;;;;;;-2.29;;-5.95;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM399230;MM399230;CC1(C)C2CC(CN)CN21;QYKHIWVXZAIXBX-UHFFFAOYSA-N;140.23;0.43;;;;;DOPC;MDCG;27;1;"MARTINI bead: SNd_SP2";;;;;;;-0.24;;-5.63;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM399231;MM399231;Nc1c(O)n(N)c(=O)n1N;BMCIITUQWYUJCW-UHFFFAOYSA-N;145.12;-2.63;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP2_SP3";;;;;;;-2.2;;-5.19;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM399232;MM399232;CNC1CC2N(C1)C2(C)C;HZDYUDVNYNQEQA-UHFFFAOYSA-N;140.23;0.44;;;;;DOPC;MDCG;27;1;"MARTINI bead: SP1_SNd";;;;;;;0.04;;-5.17;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM399233;MM399233;C=CC(C)(O)CCC(C)C;SQZZIWOOJKZCDF-UHFFFAOYSA-N;142.24;2.36;;;;;DOPC;MDCG;27;0;"MARTINI bead: C3_C5";;;;;;;3.34;;0.48;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM399234;MM399234;C=CC1CC2C(C1)C2(C)C;QBJYQLHCSVBJAV-UHFFFAOYSA-N;136.24;2.85;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC4_SC2";;;;;;;4.16;;0.44;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM399235;MM399235;CN(C)N(C)C(=O)C(=O)O;FRUGZFNUOJCGOF-UHFFFAOYSA-N;146.15;-0.99;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_P1";;;;;;;-1.06;;-7.94;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM399236;MM399236;CC1(C)C2CC(C=O)CC21;DHVKCABLJBFEBW-UHFFFAOYSA-N;138.21;1.87;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC4_SNa";;;;;;;2.2;;0.34;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM399237;MM399237;C=NOC(C)C(O)C(=O)O;WJYZCWOLRFUPTO-UHFFFAOYSA-N;147.13;-0.55;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_P2";;;;;;;-0.24;;-7.37;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM399238;MM399238;CC1(C)C2CC(C#N)CC21;HDTPPHKEBNQIIK-UHFFFAOYSA-N;135.21;2.19;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC4_SC5";;;;;;;2.97;;0.45;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM399239;MM399239;Nn1c(F)c(F)n(N)c1=O;BWNKKLUCVOSCQU-UHFFFAOYSA-N;150.09;-1.64;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP1_SP2";;;;;;;-1.06;;-3.82;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM399240;MM399240;CC1(F)C2CC(C=O)CC21;XEDBTDHNVROUDX-UHFFFAOYSA-N;142.17;1.57;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC5_SNa";;;;;;;1.64;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM399241;MM399241;COC(=NCC(=O)O)NO;GWFSRKYKUPWKDS-UHFFFAOYSA-N;148.12;-0.95;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_P1";;;;;;;-1.06;;-7.94;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM399242;MM399242;CC1(F)C2CC(C#N)CC21;YUFMOZFCSCUIGG-UHFFFAOYSA-N;139.17;1.89;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC5_SC5";;;;;;;2.41;;0.64;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM399243;MM399243;NN=c1nnc(=O)[nH]n1O;YZRKDDXNWWFVTN-UHFFFAOYSA-N;144.09;-3.02;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP3_SP4";;;;;;;-3.15;;-10.2;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM399244;MM399244;C=CC1CC2C(O1)C2(C)N;NWEWNRWGYOBHCT-UHFFFAOYSA-N;139.2;0.68;;;;;DOPC;MDCG;27;1;"MARTINI bead: SNd_SNa";;;;;;;0.87;;-3.99;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM399245;MM399245;O=C(O)C=CNCCCO;MLJZVLBCCFTVEH-UHFFFAOYSA-N;145.16;-0.44;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_P1";;;;;;;-1.06;;-7.94;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM399246;MM399246;C=CC1OC2C(O1)C2(C)C;MKBWRBHSUNUKAU-UHFFFAOYSA-N;140.18;1.32;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC4_SNa";;;;;;;2.2;;0.34;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM399247;MM399247;Cc1oc(=O)c(=O)oc1O;YBSDKWGFYYKIGE-UHFFFAOYSA-N;144.08;-0.39;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP1_SP1";;;;;;;-0.79;;-7.31;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM399248;MM399248;C=CC1OC2C(O1)C2(C)N;SAKIXOWZQDEUIJ-UHFFFAOYSA-N;141.17;0.01;;;;;DOPC;MDCG;27;1;"MARTINI bead: SNd_SNa";;;;;;;0.87;;-3.21;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM399249;MM399249;O=c1nc(O)c(=O)[nH][nH]1;AJTHJBGLCVQLHQ-UHFFFAOYSA-N;129.08;-1.84;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP2_SP5";;;;;;;-2.22;;-9.6;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM399250;MM399250;CC1(C)C2CN(C=N)CC21;LZIFSIFBFFCYGC-UHFFFAOYSA-N;138.21;1.18;;;;;DOPC;MDCG;27;1;"MARTINI bead: SC4_SP1";;;;;;;1.37;;-4.02;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
"Malic Acid";MM00666;O=C(O)CC(O)C(=O)O;BJEPYKJPYRNKOW-UHFFFAOYSA-N;134.09;-1.09;525;DB12751;;CHEMBL1455497;DOPC;MDCG;27;0;"MARTINI bead: P1_P2";;;;;;;-1.06;;-7.94;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM399251;MM399251;CC1(C)C2CN(C=O)CC21;VZAGOWCJOWHMHW-UHFFFAOYSA-N;139.2;0.73;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC4_SP1";;;;;;;1.37;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM399252;MM399252;O=CC(=O)CC(O)C(=O)O;KNDIXNNKZAPZAO-UHFFFAOYSA-N;146.1;-1.41;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_Na";;;;;;;-0.24;;-7.38;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM399253;MM399253;CC1(N)C2CN(C=N)CC21;NYTHYAGJZSZGHV-UHFFFAOYSA-N;139.2;-0.13;;;;;DOPC;MDCG;27;1;"MARTINI bead: SNd_SP1";;;;;;;0.04;;-6.67;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM399254;MM399254;CNC(N)=CC(=O)C(=O)O;CAUMRFLCKMCXCV-UHFFFAOYSA-N;144.13;-1.34;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_P2";;;;;;;-1.34;;-8.44;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM399255;MM399255;CC1(N)C2CN(C=O)CC21;YBCLEKREIVSFJB-UHFFFAOYSA-N;140.19;-0.58;;;;;DOPC;MDCG;27;1;"MARTINI bead: SNd_SP1";;;;;;;0.04;;-5.05;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM399256;MM399256;Nc1nnoc1O;SNXUMMLPEOJIOV-UHFFFAOYSA-N;101.07;-0.64;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP2_SP1";;;;;;;-1.06;;-7.94;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM399257;MM399257;CC1(F)C2CN(C=O)CC21;YGFLMNNCRGVHOX-UHFFFAOYSA-N;143.16;0.43;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC5_SP1";;;;;;;0.81;;-0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM399258;MM399258;C#Cc1nnn(O)c1O;AXOMVIWMXVWXKK-UHFFFAOYSA-N;125.09;-0.8;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP1_SP2";;;;;;;-1.06;;-7.94;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM399259;MM399259;C=NN1CC2C(C1)C2(C)C;TXHWCBGXIWKFRC-UHFFFAOYSA-N;138.21;1.19;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC4_SP1";;;;;;;1.37;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM399260;MM399260;Oc1ccno1;UBMXBBULKSCXLZ-UHFFFAOYSA-N;85.06;0.38;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNda_SNa";;;;;;;0.87;;-6.18;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM399261;MM399261;C=NN1CC2C(C1)C2(C)N;BNLLMLJTRAULRJ-UHFFFAOYSA-N;139.2;-0.12;;;;;DOPC;MDCG;27;1;"MARTINI bead: SNd_SP1";;;;;;;0.04;;-5.15;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM399262;MM399262;CC=Cc1cc(O)on1;NTSNKGPREAVXHT-UHFFFAOYSA-N;125.13;1.41;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC5_SNda";;;;;;;1.64;;-4.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM399263;MM399263;CC1(C)C2CN(C=O)NC21;DWKJFMZFUCYHQM-UHFFFAOYSA-N;140.19;-0.01;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC4_SP2";;;;;;;1.09;;-0.38;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM399264;MM399264;O=C(O)COC(=NO)NO;MIMOGSZGDQYXNY-UHFFFAOYSA-N;150.09;-1.19;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_P1";;;;;;;-1.06;;-7.94;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM399265;MM399265;CC1(N)C2CN(C=N)NC21;COKNLWUJHNPWEB-UHFFFAOYSA-N;140.19;-0.87;;;;;DOPC;MDCG;27;1;"MARTINI bead: SNd_SP3";;;;;;;-1.1;;-6.31;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM399266;MM399266;C#CC(F)C(=NO)ON=C;IMCNMSYFNHBJSL-UHFFFAOYSA-N;144.11;0.38;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda_Na";;;;;;;0.87;;-6.18;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM399267;MM399267;CC1(C)C2CN(C=O)OC21;PNWAPCWANKOCLH-UHFFFAOYSA-N;141.17;0.41;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC4_SP2";;;;;;;1.09;;-0.38;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM399268;MM399268;NN=c1nno[nH]1;JFIZAQYQSXUKJL-UHFFFAOYSA-N;101.07;-1.83;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP3_SP2";;;;;;;-2.2;;-9.13;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM399269;MM399269;CC1(N)C2CN(C=N)OC21;BCENOFXDFVGPMI-UHFFFAOYSA-N;141.17;-0.44;;;;;DOPC;MDCG;27;1;"MARTINI bead: SNd_SP1";;;;;;;0.04;;-3.94;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM399270;MM399270;C#CC(=C)C(N)=CC(=O)O;PDUIVTVHYGGKEE-UHFFFAOYSA-N;137.14;0.1;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_N0";;;;;;;0.34;;-5.7;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM399271;MM399271;CC1(N)C2CN(C=O)OC21;XFTBTGUMEMHVHY-UHFFFAOYSA-N;142.16;-0.89;;;;;DOPC;MDCG;27;1;"MARTINI bead: SNd_SP2";;;;;;;-0.24;;-4.76;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM399272;MM399272;NNc1n[nH]c(F)c1O;NERQVSLUHNVIEM-UHFFFAOYSA-N;132.1;-0.46;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP1_SNda";;;;;;;0.04;;-6.89;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM399273;MM399273;C#CC1CC2C(C1)C2(C)C;GBKSWOITKTWHNH-UHFFFAOYSA-N;134.22;2.3;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC4_SC4";;;;;;;3.53;;0.53;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
"2-oxobutanoic Acid";MM17703;CCC(=O)C(=O)O;TYEYBOSBBBHJIV-UHFFFAOYSA-N;102.09;0.05;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_P1";;;;;;;0.04;;-6.72;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM399274;MM399274;C#CC1CC2C(C1)C2(C)N;NVMMZDCLCYRICQ-UHFFFAOYSA-N;135.21;0.99;;;;;DOPC;MDCG;27;1;"MARTINI bead: SNd_SC4";;;;;;;2.2;;-2.32;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM399275;MM399275;CCn1nc(O)n(O)c1=O;PFWLKIWNWDLTDB-UHFFFAOYSA-N;145.12;-0.99;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP2_SP2";;;;;;;-1.34;;-8.45;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM399276;MM399276;C#CC1OC2C(O1)C2(C)C;KSFDJDCRHWHBQI-UHFFFAOYSA-N;138.17;0.77;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC4_SP1";;;;;;;1.37;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM399277;MM399277;C=C1C(=C)C(C)C(C)=C1C;NSFNUDISRZIRPO-UHFFFAOYSA-N;134.22;3.08;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC1_SC4";;;;;;;4.24;;0.42;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM399278;MM399278;CC=C1CC2C(C1)C2(C)C;ZNXGSGXGBWUZMZ-UHFFFAOYSA-N;136.24;3;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC1_SC4";;;;;;;4.24;;0.42;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM399279;MM399279;C=C1C(=C)C(C)C(F)=C1C;KCQHTAVUCXHPNW-UHFFFAOYSA-N;138.19;2.99;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC4_SC4";;;;;;;3.53;;0.53;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM399280;MM399280;CC1(C)C2CC(=CF)CC21;CFNMYWUTFACYLV-UHFFFAOYSA-N;140.2;2.91;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC4_SC4";;;;;;;3.53;;0.53;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM399281;MM399281;C=C1C(=O)C(C)=C(C)C1C;RCNQFRKRAWMYRY-UHFFFAOYSA-N;136.19;2.1;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC1_SNa";;;;;;;2.91;;0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM399282;MM399282;CC=C1CC2C(C1)C2(C)N;NYTDJRHMAZXXTH-UHFFFAOYSA-N;137.23;1.69;;;;;DOPC;MDCG;27;1;"MARTINI bead: SC1_SNd";;;;;;;2.91;;-0.63;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM399283;MM399283;C=C1C(=O)C(C)=C(N)C1C;COFTYXSCMLSTEY-UHFFFAOYSA-N;137.18;0.99;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNd_SNa";;;;;;;0.87;;-1.88;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM399284;MM399284;CC1(N)C2CC(=CF)CC21;VWYWRSDXDTYTNR-UHFFFAOYSA-N;141.19;1.6;;;;;DOPC;MDCG;27;1;"MARTINI bead: SNd_SC4";;;;;;;2.2;;-2.3;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM399285;MM399285;C=C1C(=O)C(C)=C(F)C1C;ZNTOJENAKKQFRT-UHFFFAOYSA-N;140.16;2;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC4_SNa";;;;;;;2.2;;0.34;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM399286;MM399286;CN(C=NN)C(=N)CF;ZLQUSHUEZNRPMN-UHFFFAOYSA-N;132.14;-0.23;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_P1";;;;;;;-0.79;;-3.13;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM399287;MM399287;C=C1C(=C)C(N)C(C)=C1C;OFSSDYAURRNFDI-UHFFFAOYSA-N;135.21;1.78;;;;;DOPC;MDCG;27;1;"MARTINI bead: SC3_SNd";;;;;;;2.57;;-0.65;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM399288;MM399288;CC=C1CC2C(C1)C2(C)F;JVLDJJYRAAOZRY-UHFFFAOYSA-N;140.2;2.7;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC1_SC5";;;;;;;3.68;;0.46;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM399289;MM399289;C=C1C(=O)C(C)C(C)=C1C;YQUJSYQQGAFPFD-UHFFFAOYSA-N;136.19;2.1;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC3_SNa";;;;;;;2.57;;0.45;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM399290;MM399290;CC1(F)C2CC(=CF)CC21;UDMLKRCQZZUBSX-UHFFFAOYSA-N;144.16;2.61;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC5_SC4";;;;;;;2.97;;0.45;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM399291;MM399291;C=C1C(=N)N(C)C(C)=C1C;XVMGTRLVQRWRQR-UHFFFAOYSA-N;136.2;1.76;;;;;DOPC;MDCG;27;1;"MARTINI bead: SP1_SN0";;;;;;;0.34;;-4.53;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM399292;MM399292;CC1(C)C2CC(=NN)CC21;HJCKNFGAIQZFCE-UHFFFAOYSA-N;138.21;1.37;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC4_SNd";;;;;;;2.2;;0.32;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM399293;MM399293;CC1=C(C)N(C)C(=N)C1=O;ILPBNVYTBCNGER-UHFFFAOYSA-N;138.17;0.77;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNd_SP2";;;;;;;-0.24;;-3.16;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM399294;MM399294;CC1(C)C2CC(=NO)CC21;MUPPTESXIVIXIJ-UHFFFAOYSA-N;139.2;1.88;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC4_SNda";;;;;;;2.2;;0.49;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM399295;MM399295;CC1=C(N)N(C)C(=N)C1=O;WEHQGIMVZDHHJS-UHFFFAOYSA-N;139.16;-0.33;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNd_SP2";;;;;;;-0.24;;-3.16;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM399296;MM399296;CC1(N)C2CC(=NO)CC21;LDVFPXIHPRHOCL-UHFFFAOYSA-N;140.19;0.57;;;;;DOPC;MDCG;27;1;"MARTINI bead: SNd_SNda";;;;;;;0.87;;-4.57;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM399297;MM399297;C=C1C(=N)N(N)C(C)=C1C;NVGWYTXOCRRUJQ-UHFFFAOYSA-N;137.19;1;;;;;DOPC;MDCG;27;1;"MARTINI bead: SN0_SP1";;;;;;;0.34;;-3.29;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM399298;MM399298;C=C1NC(=NN)C=C1F;CMLKNZVRSNCFQW-UHFFFAOYSA-N;127.12;0.23;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP1_SNa";;;;;;;0.04;;-2.54;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM399299;MM399299;C=C1C(=O)N(C)C(C)=C1C;PZQJBFSNUCLONO-UHFFFAOYSA-N;137.18;1.31;;;;;DOPC;MDCG;27;0;"MARTINI bead: SN0_SNda";;;;;;;1.17;;-1.13;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM399300;MM399300;CC1(F)C2CC(=NO)CC21;LNUFCUBPLZRRST-UHFFFAOYSA-N;143.16;1.58;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC5_SNda";;;;;;;1.64;;0.05;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM399301;MM399301;C=C1C(=O)N(N)C(C)=C1C;YYQORPLPKPRYDM-UHFFFAOYSA-N;138.17;0.55;;;;;DOPC;MDCG;27;0;"MARTINI bead: SN0_SP1";;;;;;;0.34;;-1.53;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM399302;MM399302;CN=C1CC2C(N1)C2(C)C;AFIXZDGCHQOTRH-UHFFFAOYSA-N;138.21;1.03;;;;;DOPC;MDCG;27;1;"MARTINI bead: SNd_SC4";;;;;;;2.2;;-3.28;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM399303;MM399303;C=C1C(=C)C(C)=C(C)C1=C;SFDLDTHSCPQKNV-UHFFFAOYSA-N;132.21;3.01;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC3_SC4";;;;;;;3.9;;0.47;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM399304;MM399304;CC1(C)C2CC(=NN)NC21;YAZTZUGRVMZMDV-UHFFFAOYSA-N;139.2;0.28;;;;;DOPC;MDCG;27;1;"MARTINI bead: SC4_SNd";;;;;;;2.2;;-0.99;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM399305;MM399305;C=C1C(=C)C(C)=C(F)C1=C;ONYVPYBAKKKAAG-UHFFFAOYSA-N;136.17;2.91;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC4_SC4";;;;;;;3.53;;0.53;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM399306;MM399306;CCC12CC(O)C(C1)C2;DWUCMDIIPHAXLF-UHFFFAOYSA-N;126.2;1.56;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC1_SNda";;;;;;;2.91;;0.57;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM399307;MM399307;C=C1C(=C)C(C)=C(C)C1=O;JCBYWPRGTGNLFM-UHFFFAOYSA-N;134.18;2.02;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC3_SNa";;;;;;;2.57;;0.45;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM399308;MM399308;CN=C1CC2C(N1)C2(C)N;JQJKFTXVURCCQK-UHFFFAOYSA-N;139.2;-0.28;;;;;DOPC;MDCG;27;1;"MARTINI bead: SNd_SNd";;;;;;;0.87;;-5.64;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM399309;MM399309;C=C1C(=C)C(N)=C(C)C1=O;PHBATVZBWCQNNI-UHFFFAOYSA-N;135.17;0.91;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNd_SNa";;;;;;;0.87;;-1.88;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM399310;MM399310;CN=C1CC2C(N1)C2(C)O;LZJUSKWEZLOZRY-UHFFFAOYSA-N;140.19;-0.24;;;;;DOPC;MDCG;27;1;"MARTINI bead: SNd_SNda";;;;;;;0.87;;-5.14;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM399311;MM399311;C=C1C(=C)C(F)=C(C)C1=O;WWTKAYUIUKUZBO-UHFFFAOYSA-N;138.14;1.93;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC4_SNa";;;;;;;2.2;;0.34;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM399312;MM399312;CC1(O)C2CC(NN)=NC21;SVJLJEQSMBTFAC-UHFFFAOYSA-N;141.17;-1;;;;;DOPC;MDCG;27;1;"MARTINI bead: SNda_SNd";;;;;;;0.87;;-3.38;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM399313;MM399313;C=C1C(=O)C(C)=C(C)C1=O;MQHUKNPXQVESPL-UHFFFAOYSA-N;136.15;1.03;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNa_SNa";;;;;;;0.87;;-2.22;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM399314;MM399314;CN=C1CC2C(N1)C2(C)F;OTLCJNBWLUDSIM-UHFFFAOYSA-N;142.18;0.73;;;;;DOPC;MDCG;27;1;"MARTINI bead: SNd_SC5";;;;;;;1.64;;-2.98;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM399315;MM399315;C=C1C(=O)C(=C)C(C)=C1C;MSAJTZCPHUKQST-UHFFFAOYSA-N;134.18;2.02;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC3_SNa";;;;;;;2.57;;0.45;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM399316;MM399316;CC1(F)C2CC(NN)=NC21;XXUHRNWSPZGXDT-UHFFFAOYSA-N;143.17;-0.02;;;;;DOPC;MDCG;27;1;"MARTINI bead: SC5_SNd";;;;;;;1.64;;-1.22;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM399317;MM399317;C=C1C(=O)C(=C)C(F)=C1C;HNJOTUYVLBGLRG-UHFFFAOYSA-N;138.14;1.93;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC4_SNa";;;;;;;2.2;;0.34;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM399318;MM399318;CC=C1CC2C(O1)C2(C)C;GGZNMMKVTFKIKV-UHFFFAOYSA-N;138.21;2.34;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC5_SC4";;;;;;;2.97;;0.45;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM399319;MM399319;C=C1C(=O)C(=O)C(C)=C1C;HZQCLCDEWNJEFB-UHFFFAOYSA-N;136.15;1.03;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC3_SNa";;;;;;;2.57;;0.45;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM399320;MM399320;CC1(C)C2CC(=CF)OC21;TYIJBGYERGFIAF-UHFFFAOYSA-N;142.17;2.24;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC4_SNa";;;;;;;2.2;;0.34;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM399321;MM399321;C=C1C(=O)C(=O)C(C)=C1N;HIPKLTLIKBVOLN-UHFFFAOYSA-N;137.14;-0.07;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNd_SNa";;;;;;;0.87;;-1.88;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM399322;MM399322;CC=C1CC2C(O1)C2(C)N;YQJYGNDZNCOTDU-UHFFFAOYSA-N;139.2;1.03;;;;;DOPC;MDCG;27;1;"MARTINI bead: SC5_SNd";;;;;;;1.64;;-1.98;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM399323;MM399323;CC1=C(C)C(C)C(C)=C1C;WQIQNKQYEUMPBM-UHFFFAOYSA-N;136.24;3.31;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC3_SC3";;;;;;;4.27;;0.2;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM399324;MM399324;CC1(N)C2CC(=CF)OC21;XJKYXNRUAUNUPC-UHFFFAOYSA-N;143.16;0.93;;;;;DOPC;MDCG;27;1;"MARTINI bead: SNd_SNa";;;;;;;0.87;;-3.97;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM399325;MM399325;CC1=C(C)C(N)C(C)=C1C;ADDGLIRGMNGPCG-UHFFFAOYSA-N;137.23;2;;;;;DOPC;MDCG;27;1;"MARTINI bead: SNd_SC3";;;;;;;2.57;;-0.69;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM399326;MM399326;CC1(O)C2CC(=CF)OC21;RGYCHOQJLQPIQT-UHFFFAOYSA-N;144.15;0.97;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNda_SNa";;;;;;;0.87;;-1.99;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM399327;MM399327;Cc1c(C)c(C)n(C)c1C;IQBFHKGECNYUMS-UHFFFAOYSA-N;137.23;2.26;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC5_SC5";;;;;;;2.41;;0.64;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM399328;MM399328;CC=C1CC2C(O1)C2(C)F;BHFFTBYKEBHSCQ-UHFFFAOYSA-N;142.17;2.04;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC5_SC5";;;;;;;2.41;;0.64;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM399329;MM399329;Cc1c(N)c(C)n(C)c1C;KLXNPTYNZBNRDR-UHFFFAOYSA-N;138.21;1.53;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC5_SNd";;;;;;;1.64;;0.02;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM399330;MM399330;CC1(F)C2CC(=CF)OC21;YRZAULODCZMCRT-UHFFFAOYSA-N;146.14;1.94;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC5_SNa";;;;;;;1.64;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM399331;MM399331;Cc1c(F)c(C)n(C)c1C;ZVSKCFOECCUUPX-UHFFFAOYSA-N;141.19;2.09;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC5_SNa";;;;;;;1.64;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM399332;MM399332;C=C1C(F)=CNC1=NN;ZUZVWWBQIJSFRJ-UHFFFAOYSA-N;127.12;0.23;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP1_SNa";;;;;;;0.04;;-2.54;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM399333;MM399333;Cc1c(N)c(N)c(C)n1C;AABHZZWXENOIOL-UHFFFAOYSA-N;139.2;0.81;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP1_SC5";;;;;;;0.81;;-0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM399334;MM399334;CC1(C)C2CC(=NO)OC21;IHBMRRZRYZQTHH-UHFFFAOYSA-N;141.17;1.22;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC4_SP1";;;;;;;1.37;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM399335;MM399335;Cc1c(N)c(O)c(C)n1C;DFWLGYJJULXOGL-UHFFFAOYSA-N;140.19;0.93;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP1_SC5";;;;;;;0.81;;-0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM399336;MM399336;CC1(N)C2CC(=NO)OC21;DPGUCBWRXGUQJZ-UHFFFAOYSA-N;142.16;-0.09;;;;;DOPC;MDCG;27;1;"MARTINI bead: SNd_SP1";;;;;;;0.04;;-4.54;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM399337;MM399337;Cc1c(N)c(F)c(C)n1C;RZXPACDFFBPLBI-UHFFFAOYSA-N;142.18;1.36;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNda_SC5";;;;;;;1.64;;0.05;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM399338;MM399338;CC#CC1CN1C=NN;KYGINBMSMWRPEJ-UHFFFAOYSA-N;123.16;-0.4;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4_SP2";;;;;;;1.09;;-0.37;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM399339;MM399339;Cc1c(F)c(F)c(C)n1C;ZMPQSNVFFOGYIC-UHFFFAOYSA-N;145.15;1.92;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC5_SC5";;;;;;;2.41;;0.64;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM399340;MM399340;CC1(O)C2CC(=NO)OC21;DRASUSVIKXNLDI-UHFFFAOYSA-N;143.14;-0.06;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNda_SP1";;;;;;;0.04;;-2.73;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM399341;MM399341;CC(=NN)N(C=N)C=N;VXUIUUGNXYEKDZ-UHFFFAOYSA-N;127.15;-0.21;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nd_P4";;;;;;;-1.19;;-4.91;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM399342;MM399342;Cc1c(C)c(N)n(C)c1C;QGLDXDBYAXRMPA-UHFFFAOYSA-N;138.21;1.53;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNd_SC5";;;;;;;1.64;;0.02;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM399343;MM399343;CC1(F)C2CC(=NO)OC21;IMBWUJRDAMIODL-UHFFFAOYSA-N;145.13;0.92;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC5_SP1";;;;;;;0.81;;-0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM399344;MM399344;Cc1c(O)c(N)n(C)c1C;JYPAFQAZQKGNJT-UHFFFAOYSA-N;140.19;0.93;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNd_SNda";;;;;;;0.87;;-1.92;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM399345;MM399345;CN=C1NC2C(N1)C2(C)C;IAVJPEBHWKLFIC-UHFFFAOYSA-N;139.2;-0.06;;;;;DOPC;MDCG;27;1;"MARTINI bead: SP1_SC4";;;;;;;1.37;;-4.03;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM399346;MM399346;Cc1c(F)c(N)n(C)c1C;LAAIXUURWNASKH-UHFFFAOYSA-N;142.18;1.36;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNd_SNa";;;;;;;0.87;;-1.88;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM399347;MM399347;CC1(C)C2NC(=NN)NC21;UDINFLLMGDFIRN-UHFFFAOYSA-N;140.19;-0.81;;;;;DOPC;MDCG;27;1;"MARTINI bead: SC4_SP2";;;;;;;1.09;;-2.97;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM399348;MM399348;Cc1c(N)c(C)n(C)c1N;FDZCIIGSASKUQL-UHFFFAOYSA-N;139.2;0.81;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNd_SNd";;;;;;;0.87;;-2.11;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM399349;MM399349;CN=C1NC2C(N1)C2(C)N;BJTNCEHFLJIPHF-UHFFFAOYSA-N;140.19;-1.37;;;;;DOPC;MDCG;27;1;"MARTINI bead: SP1_SNd";;;;;;;0.04;;-6.39;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM399350;MM399350;Cc1c(N)c(O)c(N)n1C;MQYUOWLFYMHPSV-UHFFFAOYSA-N;141.17;0.2;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP1_SNd";;;;;;;0.04;;-2.63;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM399351;MM399351;CN=C1NC2C(N1)C2(C)F;GAOTZSOAAJMXCJ-UHFFFAOYSA-N;143.17;-0.36;;;;;DOPC;MDCG;27;1;"MARTINI bead: SP1_SC5";;;;;;;0.81;;-3.68;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM399352;MM399352;Cc1c(N)c(F)c(N)n1C;JNQAZSDIVJOPHT-UHFFFAOYSA-N;143.17;0.64;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNda_SNd";;;;;;;0.87;;-1.92;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM399353;MM399353;CC1(F)C2NC(=NN)NC21;VSHCTPIEHWJQBL-UHFFFAOYSA-N;144.15;-1.11;;;;;DOPC;MDCG;27;1;"MARTINI bead: SC5_SP2";;;;;;;0.54;;-2.78;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM399354;MM399354;Cc1c(O)c(O)c(N)n1C;IMDASSKSPRJPPK-UHFFFAOYSA-N;142.16;0.33;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNda_SNda";;;;;;;0.87;;-2.07;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM399355;MM399355;CCC12CCC(O)C1C2;NYALXPAHMXSUOD-UHFFFAOYSA-N;126.2;1.56;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC2_SNda";;;;;;;2.83;;0.57;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM399356;MM399356;Cc1c(F)c(C)n(C)c1N;IVSQDGYOJQTFKB-UHFFFAOYSA-N;142.18;1.36;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNd_SNa";;;;;;;0.87;;-1.88;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM399357;MM399357;C=NNC=CN=NCC;OFZPCXAHXJCDFD-UHFFFAOYSA-N;126.16;1.13;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4_P1";;;;;;;1.37;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM399358;MM399358;Cc1c(F)c(O)c(N)n1C;BFCWLTDICAYNKU-UHFFFAOYSA-N;144.15;0.76;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNda_SNd";;;;;;;0.87;;-1.92;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM399359;MM399359;C#CC1C(C)N1C=NN;KSDWOHJLOHJYBR-UHFFFAOYSA-N;123.16;-0.41;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP2_P3";;;;;;;-2.2;;-5.19;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM399360;MM399360;Cc1c(F)c(F)c(N)n1C;VOFOVBNPYBVNEU-UHFFFAOYSA-N;146.14;1.19;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC5_SNd";;;;;;;1.64;;0.02;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM399361;MM399361;CC1(C)C2OC(=NO)OC21;ROSGSGQSLMYVHP-UHFFFAOYSA-N;143.14;0.56;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC4_SP2";;;;;;;1.09;;-0.38;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM399362;MM399362;Cc1c(C)c(O)n(C)c1C;CIJVDRIBPWVXBY-UHFFFAOYSA-N;139.2;1.66;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNda_SC5";;;;;;;1.64;;0.05;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM399363;MM399363;CC1(N)C2OC(=NO)OC21;GUEPCMFLDAUMKE-UHFFFAOYSA-N;144.13;-0.75;;;;;DOPC;MDCG;27;1;"MARTINI bead: SNd_SP2";;;;;;;-0.24;;-4.35;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM399364;MM399364;Cc1c(N)c(O)n(C)c1C;MERYOQLFLSQBGH-UHFFFAOYSA-N;140.19;0.93;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNda_SC5";;;;;;;1.64;;0.05;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM399365;MM399365;CC1(O)C2OC(=NN)OC21;WDESATVBONGNJM-UHFFFAOYSA-N;144.13;-1.24;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNda_SP2";;;;;;;-0.24;;-3.31;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM399366;MM399366;Cc1c(O)c(O)n(C)c1C;UGDLIGDMBHKWHX-UHFFFAOYSA-N;141.17;1.05;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNda_SNda";;;;;;;0.87;;-2.07;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM399367;MM399367;CC1(O)C2OC(=NO)OC21;VPQVROJDNCPLOC-UHFFFAOYSA-N;145.11;-0.72;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNda_SP2";;;;;;;-0.24;;-3.31;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM399368;MM399368;Cc1c(F)c(O)n(C)c1C;JEVTWYVFLVICIZ-UHFFFAOYSA-N;143.16;1.49;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNda_SNa";;;;;;;0.87;;-1.99;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM399369;MM399369;C#CC(=O)C(=N)N1CC1;NPEGDSFAJLNPMW-UHFFFAOYSA-N;122.13;-0.52;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP2_P1";;;;;;;-1.06;;-3.82;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM399370;MM399370;Cc1c(N)c(C)n(C)c1O;WXNUGCJXFIUSPC-UHFFFAOYSA-N;140.19;0.93;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNd_SNda";;;;;;;0.87;;-1.92;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM399371;MM399371;CC1(F)C2OC(=NO)OC21;KRMDMIDIZCMDMS-UHFFFAOYSA-N;147.11;0.26;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC5_SP2";;;;;;;0.54;;-1.09;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM399372;MM399372;Cc1c(N)c(N)c(O)n1C;SWMQVOKDEVCPNZ-UHFFFAOYSA-N;141.17;0.2;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNd_SNda";;;;;;;0.87;;-1.92;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM399373;MM399373;CN=C1CC2N(N1)C2(C)C;VUXWHSUERPRPKK-UHFFFAOYSA-N;139.2;0.39;;;;;DOPC;MDCG;27;1;"MARTINI bead: SP2_SP1";;;;;;;-1.06;;-6.15;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM399374;MM399374;Cc1c(N)c(O)c(O)n1C;HSZJMRHZQAFULR-UHFFFAOYSA-N;142.16;0.33;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNd_SNda";;;;;;;0.87;;-1.92;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM399375;MM399375;CC=CC(O)CC(C)(C)C;GWBRMLZVVFLSQN-UHFFFAOYSA-N;142.24;2.36;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_C3";;;;;;;3.34;;0.48;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM399376;MM399376;Cc1c(N)c(F)c(O)n1C;MZNZIPGGTUYDQH-UHFFFAOYSA-N;144.15;0.76;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNda_SNda";;;;;;;0.87;;-2.07;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM399377;MM399377;CCC1=CC2C(C1)C2(C)C;OQQUIXNPUIZBQN-UHFFFAOYSA-N;136.24;3;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC2_SC4";;;;;;;4.16;;0.44;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM399378;MM399378;Cc1c(O)c(C)n(C)c1O;UHKVTDXGBYHWHF-UHFFFAOYSA-N;141.17;1.05;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNda_SNda";;;;;;;0.87;;-2.07;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM399379;MM399379;CC1(C)C2C=C(CN)CC21;PGYUKZLXBUWFIR-UHFFFAOYSA-N;137.23;1.55;;;;;DOPC;MDCG;27;1;"MARTINI bead: SC4_SNd";;;;;;;2.2;;-1.67;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM399380;MM399380;Cc1c(O)c(N)c(O)n1C;PWVOHZTYLFYBDF-UHFFFAOYSA-N;142.16;0.33;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNda_SNda";;;;;;;0.87;;-2.07;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM399381;MM399381;CC1(C)C2C=C(CO)CC21;ICAVNGJVEOSRDO-UHFFFAOYSA-N;138.21;1.58;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC4_SNda";;;;;;;2.2;;0.49;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM399382;MM399382;Cc1c(F)c(C)n(C)c1O;PUKDCBFKRNXLOG-UHFFFAOYSA-N;143.16;1.49;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNda_SC5";;;;;;;1.64;;0.05;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM399383;MM399383;CC1(C)C2C=C(CF)CC21;SPIUUPLJXKZYMA-UHFFFAOYSA-N;140.2;2.56;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC4_SC5";;;;;;;2.97;;0.45;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM399384;MM399384;Cc1c(F)c(N)c(O)n1C;SVTAWDUWHNWZKN-UHFFFAOYSA-N;144.15;0.76;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNda_SNda";;;;;;;0.87;;-2.07;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM399385;MM399385;CCC1=CC2C(C1)C2(C)N;XWWLZIWHSUQZOQ-UHFFFAOYSA-N;137.23;1.69;;;;;DOPC;MDCG;27;1;"MARTINI bead: SC2_SNd";;;;;;;2.83;;-0.79;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM399386;MM399386;Cc1c(F)c(F)c(O)n1C;BNJKKFGIBUEDNL-UHFFFAOYSA-N;147.12;1.32;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC5_SNda";;;;;;;1.64;;0.05;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM399387;MM399387;CC1(N)C2C=C(CN)CC21;KNPPIQWAGDTFHL-UHFFFAOYSA-N;138.21;0.24;;;;;DOPC;MDCG;27;1;"MARTINI bead: SNd_SNd";;;;;;;0.87;;-5.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM399388;MM399388;Cc1c(C)c(F)n(C)c1C;OJMFZCUGADHFAO-UHFFFAOYSA-N;141.19;2.09;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC5_SC5";;;;;;;2.41;;0.64;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM399389;MM399389;CC1(N)C2C=C(CO)CC21;JDMUJVPMNGRMRG-UHFFFAOYSA-N;139.2;0.27;;;;;DOPC;MDCG;27;1;"MARTINI bead: SNd_SNda";;;;;;;0.87;;-4.76;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM399390;MM399390;Cc1c(N)c(F)n(C)c1C;XWFBLRLTQAYHQF-UHFFFAOYSA-N;142.18;1.36;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNda_SC5";;;;;;;1.64;;0.05;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM399391;MM399391;CC1(N)C2C=C(CF)CC21;XSJQCDHTPGAIDD-UHFFFAOYSA-N;141.19;1.25;;;;;DOPC;MDCG;27;1;"MARTINI bead: SNd_SC5";;;;;;;1.64;;-2.74;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM399392;MM399392;Cc1c(F)c(F)n(C)c1C;PZGFEFRVTJXZRT-UHFFFAOYSA-N;145.15;1.92;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC5_SNa";;;;;;;1.64;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM399393;MM399393;CC(C)=CC(O)CC(C)C;ULPLLCDBEMMRTJ-UHFFFAOYSA-N;142.24;2.36;;;;;DOPC;MDCG;27;0;"MARTINI bead: C3_C5";;;;;;;3.34;;0.48;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM399394;MM399394;Cc1c(N)c(C)n(C)c1F;CSXBJNMLNXFVDV-UHFFFAOYSA-N;142.18;1.36;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNd_SC5";;;;;;;1.64;;0.02;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM399395;MM399395;CC1(O)C2C=C(CN)CC21;BJMOVMRDBSDZEM-UHFFFAOYSA-N;139.2;0.27;;;;;DOPC;MDCG;27;1;"MARTINI bead: SNda_SNd";;;;;;;0.87;;-4.16;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM399396;MM399396;Cc1c(N)c(N)c(F)n1C;GIRSGMUNYGNJRW-UHFFFAOYSA-N;143.17;0.64;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNd_SNda";;;;;;;0.87;;-1.92;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM399397;MM399397;N=C(C=C(F)F)NC=NN;ZXGIGBUOXQLHTH-UHFFFAOYSA-N;148.12;0.24;;;;;DOPC;MDCG;27;0;"MARTINI bead: P4_C4";;;;;;;0.15;;-2.18;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM399398;MM399398;Cc1c(N)c(F)c(F)n1C;VQTDDXJQLXTYOE-UHFFFAOYSA-N;146.14;1.19;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNda_SC5";;;;;;;1.64;;0.05;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM399399;MM399399;C=CC(=C)CC(O)C(=C)C;BNHQPMIROGKBLF-UHFFFAOYSA-N;138.21;2.06;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda_C3";;;;;;;2.57;;0.44;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM399400;MM399400;Cc1c(O)c(C)n(C)c1F;VLQIANOLJVJQRJ-UHFFFAOYSA-N;143.16;1.49;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNda_SC5";;;;;;;1.64;;0.05;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM399401;MM399401;CCC1=CC2C(C1)C2(C)F;DGGCOOGDMKRGIW-UHFFFAOYSA-N;140.2;2.7;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC2_SC5";;;;;;;3.6;;0.34;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM399402;MM399402;Cc1c(F)c(C)n(C)c1F;ICPCSHGVITYBGD-UHFFFAOYSA-N;145.15;1.92;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC5_SNa";;;;;;;1.64;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM399403;MM399403;CC1(F)C2C=C(CN)CC21;XZEMSMDQBFJXLJ-UHFFFAOYSA-N;141.19;1.25;;;;;DOPC;MDCG;27;1;"MARTINI bead: SC5_SNd";;;;;;;1.64;;-2.14;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM399404;MM399404;Cc1c(F)c(N)c(F)n1C;JENDKBIDRQBYDP-UHFFFAOYSA-N;146.14;1.19;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNda_SNa";;;;;;;0.87;;-1.99;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM399405;MM399405;CC1(F)C2C=C(CO)CC21;NATUQEHKAPBZBA-UHFFFAOYSA-N;142.17;1.28;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC5_SNda";;;;;;;1.64;;0.05;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM399406;MM399406;Cc1c(F)c(F)c(F)n1C;KAERDAOABCAMNF-UHFFFAOYSA-N;149.12;1.75;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC5_SNa";;;;;;;1.64;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM399407;MM399407;CC1(F)C2C=C(CF)CC21;LYQSTHACUWBDSA-UHFFFAOYSA-N;144.16;2.26;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC5_SC5";;;;;;;2.41;;0.64;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM399408;MM399408;Cc1c(N)c(N)n(C)c1N;BIAOQNCVOIIYSU-UHFFFAOYSA-N;140.19;0.08;;;;;DOPC;MDCG;27;1;"MARTINI bead: SP1_SNd";;;;;;;0.04;;-4.74;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM399409;MM399409;COC1=CC2C(C1)C2(C)C;RTZRVSQCGQZOOM-UHFFFAOYSA-N;138.21;2.19;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC5_SC4";;;;;;;2.97;;0.45;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM399410;MM399410;Cc1c(F)c(N)n(C)c1N;VINJTVPDFUQRQV-UHFFFAOYSA-N;143.17;0.64;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP1_SNa";;;;;;;0.04;;-2.54;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM399411;MM399411;COC1=CC2C(C1)C2(C)N;TTXHQMFFDGPEFL-UHFFFAOYSA-N;139.2;0.88;;;;;DOPC;MDCG;27;1;"MARTINI bead: SC5_SNd";;;;;;;1.64;;-2.74;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM399412;MM399412;Cn1c(N)c(N)c(N)c1N;SNIKQSZVYYOJCA-UHFFFAOYSA-N;141.18;-0.65;;;;;DOPC;MDCG;27;1;"MARTINI bead: SP1_SP1";;;;;;;-0.79;;-5.31;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM399413;MM399413;COC1=CC2C(C1)C2(C)O;AEQNTMYSLXWHDX-UHFFFAOYSA-N;140.18;0.92;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC5_SNda";;;;;;;1.64;;0.05;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM399414;MM399414;Cn1c(N)c(N)c(O)c1N;CWVGKSDJGOQUTQ-UHFFFAOYSA-N;142.16;-0.52;;;;;DOPC;MDCG;27;1;"MARTINI bead: SP1_SP1";;;;;;;-0.79;;-4.53;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM399415;MM399415;COC1=CC2C(C1)C2(C)F;JNKDVWJEPRMGBL-UHFFFAOYSA-N;142.17;1.89;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC5_SC5";;;;;;;2.41;;0.64;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM399416;MM399416;Cn1c(N)c(N)c(F)c1N;FAEPSLLRCZRGTN-UHFFFAOYSA-N;144.15;-0.09;;;;;DOPC;MDCG;27;1;"MARTINI bead: SNd_SNda";;;;;;;0.87;;-3.09;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM399417;MM399417;CC(=NN)NC(C)=C(F)F;KPWQDTOIIYZROE-UHFFFAOYSA-N;149.14;1;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_C4";;;;;;;1.09;;-0.37;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM399418;MM399418;CCC(C)(O)C=CC(C)C;UXNAKERUUYCZFU-UHFFFAOYSA-N;142.24;2.36;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda_C2";;;;;;;2.83;;0.57;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM399419;MM399419;CCC1=NC2C(N1)C2(C)C;VVWXONOSWKZQIX-UHFFFAOYSA-N;138.21;1.18;;;;;DOPC;MDCG;27;1;"MARTINI bead: SNd_SC4";;;;;;;2.2;;-1.8;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM399420;MM399420;Cn1c(N)c(O)c(F)c1N;SMWPUMWXFZINHJ-UHFFFAOYSA-N;145.14;0.03;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNd_SNda";;;;;;;0.87;;-1.92;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM399421;MM399421;CC1(N)C2N=C(CN)NC21;HUBUGVHCYVMOBR-UHFFFAOYSA-N;140.19;-1.59;;;;;DOPC;MDCG;27;1;"MARTINI bead: SNd_SP2";;;;;;;-0.24;;-4.28;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM399422;MM399422;Cn1c(N)c(F)c(F)c1N;FPVOQYQWDNRJFS-UHFFFAOYSA-N;147.13;0.47;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNd_SNda";;;;;;;0.87;;-1.92;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM399423;MM399423;CCC1=NC2C(N1)C2(C)O;CVCJFWSEGPFKJI-UHFFFAOYSA-N;140.19;-0.1;;;;;DOPC;MDCG;27;1;"MARTINI bead: SNd_SNda";;;;;;;0.87;;-3.05;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM399424;MM399424;C=CC1(C)CC(O)(C=C)C1;SDCWXTZGUNSSOH-UHFFFAOYSA-N;138.21;1.89;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC3_SNda";;;;;;;2.57;;0.44;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM399425;MM399425;CC1(O)C2N=C(CN)NC21;VEYGMFNJOKIDIB-UHFFFAOYSA-N;141.17;-1.55;;;;;DOPC;MDCG;27;1;"MARTINI bead: SNda_SP2";;;;;;;-0.24;;-4.37;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM399426;MM399426;CCC(C)(O)CC#CCF;HZHWQEKVNWDWTK-UHFFFAOYSA-N;144.19;1.51;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_Na";;;;;;;1.64;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM399427;MM399427;CN(C=NN)C=NN(C)C;SZMMFMXZMLYDMX-UHFFFAOYSA-N;143.19;-0.67;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_P1";;;;;;;-1.06;;-3.82;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM399428;MM399428;Cc1c(O)c(O)n(C)c1N;LDACFASSPXPPCR-UHFFFAOYSA-N;142.16;0.33;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNd_SNda";;;;;;;0.87;;-1.92;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM399429;MM399429;CNC1=NC2C(N1)C2(C)C;IAVJPEBHWKLFIC-UHFFFAOYSA-N;139.2;-0.06;;;;;DOPC;MDCG;27;1;"MARTINI bead: SP1_SC4";;;;;;;1.37;;-3.94;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM399430;MM399430;C=C(CC)CC(O)C(=C)C;WBMNSFLMGSAUHR-UHFFFAOYSA-N;140.23;2.28;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1_Nda";;;;;;;2.91;;0.57;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM399431;MM399431;CC1(C)C2N=C(NN)NC21;UDINFLLMGDFIRN-UHFFFAOYSA-N;140.19;-0.81;;;;;DOPC;MDCG;27;1;"MARTINI bead: SC4_SP2";;;;;;;1.09;;-3.63;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM399432;MM399432;Cc1c(O)c(N)n(C)c1O;SQKVJSMUARUENF-UHFFFAOYSA-N;142.16;0.33;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNda_SNda";;;;;;;0.87;;-2.07;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM399433;MM399433;CC1(C)C2N=C(NO)NC21;MUVVSWQJSSZQJI-UHFFFAOYSA-N;141.17;-0.3;;;;;DOPC;MDCG;27;1;"MARTINI bead: SC4_SP2";;;;;;;1.09;;-2.2;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM399434;MM399434;Cn1c(N)c(O)c(N)c1O;VBECFKYIVBLJSD-UHFFFAOYSA-N;143.15;-0.4;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP1_SNda";;;;;;;0.04;;-2.73;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM399435;MM399435;CNC1=NC2C(N1)C2(C)N;BJTNCEHFLJIPHF-UHFFFAOYSA-N;140.19;-1.37;;;;;DOPC;MDCG;27;1;"MARTINI bead: SP1_SNd";;;;;;;0.04;;-6.31;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM399436;MM399436;Cn1c(N)c(O)c(O)c1O;AVGGHXOITUUGOE-UHFFFAOYSA-N;144.13;-0.28;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP1_SNda";;;;;;;0.04;;-2.73;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM399437;MM399437;CC1(N)C2N=C(NO)NC21;KWCHHVUDLDPDIL-UHFFFAOYSA-N;142.16;-1.61;;;;;DOPC;MDCG;27;1;"MARTINI bead: SNd_SP2";;;;;;;-0.24;;-4.67;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM399438;MM399438;Cn1c(N)c(O)c(F)c1O;CCFPYGBQOUTAJP-UHFFFAOYSA-N;146.12;0.16;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNda_SNda";;;;;;;0.87;;-2.07;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM399439;MM399439;CC1(O)C2N=C(NN)NC21;XGAJTWVXPPXBSZ-UHFFFAOYSA-N;142.16;-2.09;;;;;DOPC;MDCG;27;1;"MARTINI bead: SNda_SP2";;;;;;;-0.24;;-5.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM399440;MM399440;C=C(C)C(O)CC(C)=CC;YCJBUJGBVPRCJV-UHFFFAOYSA-N;140.23;2.28;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1_Nda";;;;;;;2.91;;0.57;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM399441;MM399441;CC1(O)C2N=C(NO)NC21;MSOMIJBCRDMGCI-UHFFFAOYSA-N;143.15;-1.57;;;;;DOPC;MDCG;27;1;"MARTINI bead: SNda_SP2";;;;;;;-0.24;;-4.46;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM399442;MM399442;CC(O)C(C)CCC(F)F;GGIJPSOVBBGSMZ-UHFFFAOYSA-N;152.18;2.05;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda_N0";;;;;;;1.17;;-1.13;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM399443;MM399443;CNC1=NC2C(N1)C2(C)F;GAOTZSOAAJMXCJ-UHFFFAOYSA-N;143.17;-0.36;;;;;DOPC;MDCG;27;1;"MARTINI bead: SP1_SC5";;;;;;;0.81;;-3.6;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM399444;MM399444;Cn1c(N)c(F)c(O)c1O;NCIJLAXKGIRPDL-UHFFFAOYSA-N;146.12;0.16;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNda_SNda";;;;;;;0.87;;-2.07;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM399445;MM399445;CCC1=CC2C(O1)C2(C)C;NJYVBYRYLLYOJS-UHFFFAOYSA-N;138.21;2.34;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC5_SC4";;;;;;;2.97;;0.45;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM399446;MM399446;Cn1c(N)c(F)c(F)c1O;FDUVTJXYUNAHMY-UHFFFAOYSA-N;148.11;0.59;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNda_SNda";;;;;;;0.87;;-2.07;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM399447;MM399447;CC1(C)C2C=C(CF)OC21;RQNSRPWUCOJCIN-UHFFFAOYSA-N;142.17;1.89;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC4_SNa";;;;;;;2.2;;0.34;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM399448;MM399448;CCC1=CC2C(O1)C2(C)N;FGCXZNKYVRIMFK-UHFFFAOYSA-N;139.2;1.03;;;;;DOPC;MDCG;27;1;"MARTINI bead: SC5_SNd";;;;;;;1.64;;-1.94;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM399449;MM399449;Cc1c(C)c(F)n(C)c1N;RVVLGRZVMNBWLR-UHFFFAOYSA-N;142.18;1.36;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC5_SNd";;;;;;;1.64;;0.02;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM399450;MM399450;CC(F)=CN(N)C(C)=NN;ICTXGKDZNFRRBE-UHFFFAOYSA-N;146.17;0.29;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_P2";;;;;;;0.54;;-1.09;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM399451;MM399451;Cc1c(N)c(F)n(C)c1N;GHKBGGXCYFXKFC-UHFFFAOYSA-N;143.17;0.64;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNda_SNd";;;;;;;0.87;;-1.92;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM399452;MM399452;CCC1=NN2C(C1)C2(C)C;BEJCMIHOGFYKMT-UHFFFAOYSA-N;138.21;1.62;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP1_SP1";;;;;;;-0.79;;-3.13;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM399453;MM399453;Cc1c(O)c(F)n(C)c1N;IGOAFCBKZWUAEG-UHFFFAOYSA-N;144.15;0.76;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNd_SNda";;;;;;;0.87;;-1.92;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM399454;MM399454;CC(C)=NN(C)C(C)=NN;ZFNXNJMNETYENV-UHFFFAOYSA-N;142.21;0.61;;;;;DOPC;MDCG;27;0;"MARTINI bead: N0_P1";;;;;;;0.34;;-1.53;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM399455;MM399455;Cc1c(F)c(F)n(C)c1N;KLSFIZUBCZTJFC-UHFFFAOYSA-N;146.14;1.19;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNda_SNa";;;;;;;0.87;;-1.99;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM399456;MM399456;CC1(C)C2CC(CF)=NN21;IJQLWAKSUKUSFH-UHFFFAOYSA-N;142.18;1.18;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP1_SP1";;;;;;;-0.79;;-3.13;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM399457;MM399457;Cn1c(N)c(N)c(N)c1F;PAJYQLCUBIKONK-UHFFFAOYSA-N;144.15;-0.09;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP1_SNda";;;;;;;0.04;;-2.73;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM399458;MM399458;COC1=CC2N(C1)C2(C)C;SXLPZYIGGDEHBD-UHFFFAOYSA-N;139.2;0.99;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP1_SNd";;;;;;;0.04;;-2.63;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM399459;MM399459;Cn1c(N)c(N)c(F)c1F;QLFOKNQGMGXIRV-UHFFFAOYSA-N;147.13;0.47;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNda_SNda";;;;;;;0.87;;-2.07;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM399460;MM399460;C=CC1=CC2C(C1)C2(C)C;DPRAWESESVKLDN-UHFFFAOYSA-N;134.22;2.77;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC4_SC3";;;;;;;3.9;;0.47;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM399461;MM399461;Cc1c(O)c(N)n(C)c1F;OAGZFLNUZFBYNH-UHFFFAOYSA-N;144.15;0.76;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP1_SC5";;;;;;;0.81;;-0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM399462;MM399462;CC1(C)C2C=C(C=O)CC21;DQQPSGBQJQHYIR-UHFFFAOYSA-N;136.19;1.79;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC4_SNa";;;;;;;2.2;;0.34;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM399463;MM399463;Cc1c(F)c(N)n(C)c1F;RCKLGRCBJSOOSB-UHFFFAOYSA-N;146.14;1.19;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNda_SNa";;;;;;;0.87;;-1.99;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM399464;MM399464;CC1(C)C2C=C(C#N)CC21;XTVMHNSDDKBJBH-UHFFFAOYSA-N;133.19;2.11;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC4_SN0";;;;;;;2.5;;0.44;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM399465;MM399465;CC(O)C1CC1(C)C(C)C;BBWYHIUOSAWJPY-UHFFFAOYSA-N;142.24;2.05;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_SC3";;;;;;;1.74;;0.29;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM399466;MM399466;C=CC1=CC2C(C1)C2(C)N;SSEKLYKWWIQAQX-UHFFFAOYSA-N;135.21;1.47;;;;;DOPC;MDCG;27;1;"MARTINI bead: SNd_SC3";;;;;;;2.57;;-1.55;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM399467;MM399467;Cn1c(N)c(F)c(F)c1F;UFRJTIQARVLFQP-UHFFFAOYSA-N;150.1;1.02;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNda_SNa";;;;;;;0.87;;-1.99;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM399468;MM399468;C#CCC(O)CC1(C)CC1;JDFAEHDEDAPUSS-UHFFFAOYSA-N;138.21;1.56;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC5_Nda";;;;;;;1.64;;0.05;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM399469;MM399469;Cc1c(C)c(O)n(C)c1O;SSDGEGGMIOSNEE-UHFFFAOYSA-N;141.17;1.05;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNda_SNda";;;;;;;0.87;;-2.07;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM399470;MM399470;CC(=O)CN(C=O)N=CN;XHKMJDGHCSUDAL-UHFFFAOYSA-N;143.15;-1.06;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_P3";;;;;;;-1.1;;-4.2;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM399471;MM399471;Cc1c(N)c(O)n(C)c1O;YUMORKFVTNMTHP-UHFFFAOYSA-N;142.16;0.33;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNda_SNda";;;;;;;0.87;;-2.07;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM399472;MM399472;C=C(OC=O)N(C)C=NN;FQBGNWXSPMECGH-UHFFFAOYSA-N;143.15;-0.54;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_Nda";;;;;;;0.04;;-2.73;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM399473;MM399473;Cc1c(O)c(O)n(C)c1O;FMEUOVIRWFEQQX-UHFFFAOYSA-N;143.14;0.45;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNda_SNda";;;;;;;0.87;;-2.07;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM399474;MM399474;C=CC1=CC2C(C1)C2(C)F;BTJMETLVVCELJG-UHFFFAOYSA-N;138.19;2.48;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC5_SC3";;;;;;;3.34;;0.48;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM399475;MM399475;Cc1c(F)c(O)n(C)c1O;ZIEBJUWUXFBOJS-UHFFFAOYSA-N;145.13;0.88;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNda_SNda";;;;;;;0.87;;-2.07;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM399476;MM399476;CC1(F)C2C=C(C#N)CC21;NRNTXEJAEDMEES-UHFFFAOYSA-N;137.16;1.81;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC5_SN0";;;;;;;1.94;;0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM399477;MM399477;Cn1c(O)c(N)c(N)c1O;WUGQRMBCCKMFBS-UHFFFAOYSA-N;143.15;-0.4;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP1_SNda";;;;;;;0.04;;-2.73;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM399478;MM399478;C=CC1=CC2C(C1)C2(F)F;JPWFJLNZRCQLCG-UHFFFAOYSA-N;142.15;2.38;;;;;DOPC;MDCG;27;0;"MARTINI bead: SN0_SC3";;;;;;;2.87;;0.37;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM399479;MM399479;Cn1c(O)c(N)c(O)c1O;MTOHCFTUYJUXMM-UHFFFAOYSA-N;144.13;-0.28;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP1_SNda";;;;;;;0.04;;-2.73;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM399480;MM399480;N#CC1=CC2C(C1)C2(F)F;FYIRZLSLNMPRRV-UHFFFAOYSA-N;141.12;1.72;;;;;DOPC;MDCG;27;0;"MARTINI bead: SN0_SN0";;;;;;;1.47;;-0.05;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM399481;MM399481;Cn1c(O)c(N)c(F)c1O;QXQVNWGJSLXEKI-UHFFFAOYSA-N;146.12;0.16;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNda_SNda";;;;;;;0.87;;-2.07;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM399482;MM399482;C=CC1=NC2C(N1)C2(C)C;IDVBSUJPLCDIPB-UHFFFAOYSA-N;136.2;0.95;;;;;DOPC;MDCG;27;1;"MARTINI bead: SC4_SNd";;;;;;;2.2;;-1.49;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM399483;MM399483;Cn1c(O)c(F)c(F)c1O;HILPMGUNBPVNNI-UHFFFAOYSA-N;149.1;0.71;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNda_SNda";;;;;;;0.87;;-2.07;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM399484;MM399484;COC=NN=C(N)C(C)=O;WIKYYNFQBOOOKY-UHFFFAOYSA-N;143.15;-0.48;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_Na";;;;;;;0.04;;-2.54;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM399485;MM399485;Cc1c(C)c(F)n(C)c1O;OZXYOHJQAKFDFG-UHFFFAOYSA-N;143.16;1.49;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNda_SC5";;;;;;;1.64;;0.05;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM399486;MM399486;C=CC1=NC2C(N1)C2(C)N;GSVGZTQGFQZTCB-UHFFFAOYSA-N;137.19;-0.36;;;;;DOPC;MDCG;27;1;"MARTINI bead: SNd_SNd";;;;;;;0.87;;-3.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM399487;MM399487;Cc1c(N)c(F)n(C)c1O;IWZTXIQQZOQVGD-UHFFFAOYSA-N;144.15;0.76;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNda_SNda";;;;;;;0.87;;-2.07;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM399488;MM399488;C=CC1=CC2C(O1)C2(C)C;WODVJLWBAFKVRM-UHFFFAOYSA-N;136.19;2.11;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC4_SNa";;;;;;;2.2;;0.34;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM399489;MM399489;Cc1c(F)c(F)n(C)c1O;VMHDTYZZQSLGRJ-UHFFFAOYSA-N;147.12;1.32;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNda_SC5";;;;;;;1.64;;0.05;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM399490;MM399490;C=CC1=CC2C(O1)C2(C)N;BRLBQNJZBWDDTH-UHFFFAOYSA-N;137.18;0.8;;;;;DOPC;MDCG;27;1;"MARTINI bead: SNd_SNa";;;;;;;0.87;;-3.93;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM399491;MM399491;Cc1c(N)c(O)n(C)c1F;FPDRKZNLBLUNRL-UHFFFAOYSA-N;144.15;0.76;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP1_SC5";;;;;;;0.81;;-0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM399492;MM399492;C=CC1=CC2C(O1)C2(C)O;JMXNVDNWBONHMW-UHFFFAOYSA-N;138.17;0.84;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNda_SNa";;;;;;;0.87;;-1.99;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM399493;MM399493;Cn1c(O)c(N)c(N)c1F;CRAOZEYZQAKGSS-UHFFFAOYSA-N;145.14;0.03;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP1_SNda";;;;;;;0.04;;-2.73;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM399494;MM399494;C=CC1=CC2C(O1)C2(C)F;RJJYVDJIZCJIPZ-UHFFFAOYSA-N;140.16;1.81;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC5_SNa";;;;;;;1.64;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM399495;MM399495;Cn1c(O)c(N)c(F)c1F;QGURFUJUDXBSFH-UHFFFAOYSA-N;148.11;0.59;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNda_SC5";;;;;;;1.64;;0.05;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM399496;MM399496;CC1(C)C2CC(C=O)=CN21;WGRBQQXXSJNAJS-UHFFFAOYSA-N;137.18;0.94;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNd_SP2";;;;;;;-0.24;;-3.16;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM399497;MM399497;Cc1c(F)c(O)n(C)c1F;VELQFZXAIKZCOS-UHFFFAOYSA-N;147.12;1.32;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNda_SC5";;;;;;;1.64;;0.05;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM399498;MM399498;CC1(C)C2CC(C#N)=CN21;YAWAODKBGNQYKF-UHFFFAOYSA-N;134.18;1.26;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNd_SP1";;;;;;;0.04;;-2.63;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM399499;MM399499;Cn1c(O)c(F)c(N)c1F;GPYJORLZRKONKU-UHFFFAOYSA-N;148.11;0.59;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNda_SNa";;;;;;;0.87;;-1.99;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM399500;MM399500;C#CC1=CC2C(C1)C2(C)C;DZMLKXYZZGHJBT-UHFFFAOYSA-N;132.21;2.22;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC4_SC5";;;;;;;2.97;;0.45;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM399501;MM399501;Cn1c(O)c(F)c(F)c1F;ZMGUAWLRGLYDSM-UHFFFAOYSA-N;151.09;1.15;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNda_SNa";;;;;;;0.87;;-1.99;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM399502;MM399502;C#CC1=CC2C(C1)C2(C)N;OORFBBOAPLJCNK-UHFFFAOYSA-N;133.19;0.91;;;;;DOPC;MDCG;27;1;"MARTINI bead: SNd_SC5";;;;;;;1.64;;-2.74;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM399503;MM399503;Cc1c(C)c(F)n(C)c1F;KBUMMQJWTHITBZ-UHFFFAOYSA-N;145.15;1.92;;;;;DOPC;MDCG;27;0;"MARTINI bead: SN0_SC5";;;;;;;1.94;;0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM399504;MM399504;CC(=NN)NN(C=N)C=O;GVBITDKKKCNJCF-UHFFFAOYSA-N;143.15;-1.15;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nd_P4";;;;;;;-1.19;;-4.91;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM399505;MM399505;Cc1c(N)c(F)n(C)c1F;NXCGKGOTIOQYOZ-UHFFFAOYSA-N;146.14;1.19;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNda_SN0";;;;;;;1.17;;-1.13;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM399506;MM399506;C#CC1=CC2C(C1)C2(C)F;CHTKAYZHALANCQ-UHFFFAOYSA-N;136.17;1.92;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC5_SC5";;;;;;;2.41;;0.64;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM399507;MM399507;Cc1c(F)c(F)n(C)c1F;ZWLOTAPTJCOOHD-UHFFFAOYSA-N;149.12;1.75;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC5_SN0";;;;;;;1.94;;0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM399508;MM399508;C#CC1=CC2C(C1)C2(F)F;PPLDOKREXCVEHE-UHFFFAOYSA-N;140.13;1.83;;;;;DOPC;MDCG;27;0;"MARTINI bead: SN0_SC5";;;;;;;1.94;;0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM399509;MM399509;Cn1c(F)c(N)c(N)c1F;MJDBULRKWHJDGZ-UHFFFAOYSA-N;147.13;0.47;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNda_SNda";;;;;;;0.87;;-2.07;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM399510;MM399510;CC1(n2ncc(=O)o2)CC1;FVBMPQLPUFLOLX-UHFFFAOYSA-N;140.14;0.35;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC5_SP2";;;;;;;0.54;;-1.09;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM399511;MM399511;Cn1c(F)c(N)c(F)c1F;GQKVQXYSNVVJGM-UHFFFAOYSA-N;150.1;1.02;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNda_SC5";;;;;;;1.64;;0.05;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM399512;MM399512;CC1(c2coc(=O)o2)CC1;GQJARKLEWLLVJK-UHFFFAOYSA-N;140.14;1.28;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC5_SP1";;;;;;;0.81;;-0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM399513;MM399513;C#CC=C(OC)C(=O)O;QIPJSGBTLUJVTD-UHFFFAOYSA-N;126.11;0.23;;;;;DOPC;MDCG;27;0;"MARTINI bead: N0_P1";;;;;;;0.34;;-5.71;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM399514;MM399514;NC1(c2coc(=O)o2)CC1;PRJQZBWLPFSSAX-UHFFFAOYSA-N;141.13;0.18;;;;;DOPC;MDCG;27;1;"MARTINI bead: SP1_SP1";;;;;;;-0.79;;-4.41;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM399515;MM399515;C=C(F)C(O)C(=O)NOC;KHBPYAXNCRRNLB-UHFFFAOYSA-N;149.12;-0.49;;;;;DOPC;MDCG;27;0;"MARTINI bead: P3_C5";;;;;;;-0.33;;-5.88;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM399516;MM399516;O=c1occ(C2(O)CC2)o1;VIYBJDSJQJWXKG-UHFFFAOYSA-N;142.11;0.21;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP1_SP1";;;;;;;-0.79;;-3.13;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM399517;MM399517;Cn1c(F)c(F)c(F)c1F;LGNNKAAYVZGNTK-UHFFFAOYSA-N;153.08;1.58;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNa_SC5";;;;;;;1.64;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM399518;MM399518;O=c1occ(C2(F)CC2)o1;CGMMDUWOOZMVEP-UHFFFAOYSA-N;144.1;1.19;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNa_SP1";;;;;;;0.04;;-2.54;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM399519;MM399519;Cc1c(C)c(C)n(N)c1C;DBDSLJHKGKWABZ-UHFFFAOYSA-N;138.21;1.44;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC5_SNd";;;;;;;1.64;;0.02;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM399520;MM399520;CC1(c2noc(=O)o2)CC1;NXXPCSZSRXPYBG-UHFFFAOYSA-N;141.13;0.68;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC5_SP2";;;;;;;0.54;;-1.09;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM399521;MM399521;Cc1c(N)c(C)n(N)c1C;JNMMPCFOBDIBDS-UHFFFAOYSA-N;139.2;0.71;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNd_SNd";;;;;;;0.87;;-2.11;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM399522;MM399522;O=c1onc(C2(O)CC2)o1;MUEQNKHQVIVVFV-UHFFFAOYSA-N;143.1;-0.39;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP1_SP2";;;;;;;-1.06;;-3.82;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM399523;MM399523;Cc1c(O)c(C)n(N)c1C;ZKTRETSVCODPLM-UHFFFAOYSA-N;140.19;0.83;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNd_SNda";;;;;;;0.87;;-1.92;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM399524;MM399524;O=c1onc(C2(F)CC2)o1;HRKILRMCKTWESK-UHFFFAOYSA-N;145.09;0.59;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNa_SP2";;;;;;;-0.24;;-3.24;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM399525;MM399525;Cc1c(F)c(C)n(N)c1C;AQCOEVGKYQITKW-UHFFFAOYSA-N;142.18;1.27;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNd_SNa";;;;;;;0.87;;-1.88;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM399526;MM399526;CC1(c2coc(=O)o2)CN1;SCEPUGFCVIOREW-UHFFFAOYSA-N;141.13;0.05;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP1_SP1";;;;;;;-0.79;;-3.13;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM399527;MM399527;Cc1c(N)c(N)c(C)n1N;BPIRHRDPBRJXHQ-UHFFFAOYSA-N;140.19;-0.02;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP1_SNd";;;;;;;0.04;;-2.63;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM399528;MM399528;CC1(c2noc(=O)o2)CN1;LZSWWVLTFSEABD-UHFFFAOYSA-N;142.11;-0.55;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP1_SP2";;;;;;;-1.06;;-3.82;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM399529;MM399529;Cc1c(N)c(F)c(C)n1N;NQSHCVLBCGWQOQ-UHFFFAOYSA-N;143.17;0.54;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNda_SNd";;;;;;;0.87;;-1.92;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM399530;MM399530;CC1(c2coc(=O)o2)CO1;YOQNMASHXPVSCK-UHFFFAOYSA-N;142.11;0.48;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNa_SP1";;;;;;;0.04;;-2.54;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM399531;MM399531;Cc1c(F)c(F)c(C)n1N;CFVPUIAEPXOIRE-UHFFFAOYSA-N;146.14;1.1;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC5_SNd";;;;;;;1.64;;0.02;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM399532;MM399532;CC1(c2noc(=O)o2)CO1;VCNZQIIHMPYZGO-UHFFFAOYSA-N;143.1;-0.13;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNa_SP2";;;;;;;-0.24;;-3.24;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM399533;MM399533;Cc1c(C)c(N)n(N)c1C;VMERDXLJYMWIKW-UHFFFAOYSA-N;139.2;0.71;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC5_SP1";;;;;;;0.81;;-0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM399534;MM399534;CC1(CN)C2CC(F)CC21;NBUDNVAHVSWEIG-UHFFFAOYSA-N;143.21;1.33;;;;;DOPC;MDCG;27;1;"MARTINI bead: SNd_SC5";;;;;;;1.64;;-2.39;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM399535;MM399535;Cc1c(O)c(N)n(N)c1C;OOPPBBCAZGXGQZ-UHFFFAOYSA-N;141.17;0.11;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP1_SNda";;;;;;;0.04;;-2.73;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM399536;MM399536;C=CC1(O)C2CC(N)CC21;YWZMEMJCLDQMRW-UHFFFAOYSA-N;139.2;0.27;;;;;DOPC;MDCG;27;1;"MARTINI bead: SNd_SNda";;;;;;;0.87;;-4.64;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM399537;MM399537;Cc1c(F)c(N)n(N)c1C;SBYYIKPGLBYLFI-UHFFFAOYSA-N;143.17;0.54;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP1_SNa";;;;;;;0.04;;-2.54;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM399538;MM399538;C=CC1(O)C2CC(F)CC21;HIPUUFIYKIKHTH-UHFFFAOYSA-N;142.17;1.28;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNda_SC5";;;;;;;1.64;;0.05;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM399539;MM399539;Cc1c(N)c(C)n(N)c1N;ICVBETPIFIPJQX-UHFFFAOYSA-N;140.19;-0.02;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNd_SP1";;;;;;;0.04;;-2.63;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM399540;MM399540;CC1CC2C(C1)C2(F)C#N;SEBSFWJHTSCXJL-UHFFFAOYSA-N;139.17;1.89;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC3_SNa";;;;;;;2.57;;0.45;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM399541;MM399541;Cc1c(N)c(O)c(N)n1N;WMPXPTOKXAOZTB-UHFFFAOYSA-N;142.16;-0.62;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP1_SP1";;;;;;;-0.79;;-3.13;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM399542;MM399542;C=CC1(C)C2CN(C)CC21;KYQKEJWIJNFLAJ-UHFFFAOYSA-N;137.23;1.37;;;;;DOPC;MDCG;27;1;"MARTINI bead: SNd_SC4";;;;;;;2.2;;-1.85;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM399543;MM399543;Cc1c(N)c(F)c(N)n1N;LSVCHGRTRNGMDO-UHFFFAOYSA-N;144.15;-0.19;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNda_SP1";;;;;;;0.04;;-2.73;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM399544;MM399544;C=CC1(C)C2CC(N)CN21;TVYSKEAWLJMVHS-UHFFFAOYSA-N;138.21;0.35;;;;;DOPC;MDCG;27;1;"MARTINI bead: SP1_SP2";;;;;;;-1.06;;-5.99;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM399545;MM399545;Cc1c(O)c(C)n(N)c1N;CTHILBNCQQLBCG-UHFFFAOYSA-N;141.17;0.11;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP1_SNda";;;;;;;0.04;;-2.73;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM399546;MM399546;C#CC1(C)C2CC(N)CC21;STWSTXXDNZVTCM-UHFFFAOYSA-N;135.21;0.99;;;;;DOPC;MDCG;27;1;"MARTINI bead: SC5_SNd";;;;;;;1.64;;-2.91;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM399547;MM399547;Cc1c(F)c(C)n(N)c1N;QWBBZGQHEKQJQW-UHFFFAOYSA-N;143.17;0.54;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP1_SNa";;;;;;;0.04;;-2.54;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM399548;MM399548;C#CC1(N)C2CC(F)CC21;LXXKKLVBFGXTOV-UHFFFAOYSA-N;139.17;0.7;;;;;DOPC;MDCG;27;1;"MARTINI bead: SNd_SC5";;;;;;;1.64;;-1.62;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM399549;MM399549;Cc1c(F)c(N)c(N)n1N;TVYNOEMILNSAIN-UHFFFAOYSA-N;144.15;-0.19;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNda_SP1";;;;;;;0.04;;-2.73;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM399550;MM399550;C#CC1(O)C2CC(F)CC21;BMPZFZJDFQKWHG-UHFFFAOYSA-N;140.16;0.73;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP1_SC5";;;;;;;0.81;;-0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM399551;MM399551;Cc1c(F)c(F)c(N)n1N;ALYMOXUOSLNWRP-UHFFFAOYSA-N;147.13;0.37;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC5_SP1";;;;;;;0.81;;-0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM399552;MM399552;C#CC1(F)C2OC(C)OC21;MVKNQMUBSYBYFD-UHFFFAOYSA-N;142.13;0.47;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNa_SNa";;;;;;;0.87;;-2.22;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM399553;MM399553;Cc1c(C)c(O)n(N)c1C;QCDWKOAGKVEHTP-UHFFFAOYSA-N;140.19;0.83;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNda_SC5";;;;;;;1.64;;0.05;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM399554;MM399554;CC1(CN)C2CC(=N)NC21;FKCZRCVSIPFTFZ-UHFFFAOYSA-N;139.2;-0.08;;;;;DOPC;MDCG;27;1;"MARTINI bead: SNd_SNd";;;;;;;0.87;;-6.64;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM399555;MM399555;CCC(O)CCCC(C)C;IDCFJIMYNKBKMB-UHFFFAOYSA-N;144.26;2.58;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda_C1";;;;;;;2.91;;0.57;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM399556;MM399556;CC1(CO)C2CC(=N)NC21;BJAHKIGGAWMGNI-UHFFFAOYSA-N;140.19;-0.05;;;;;DOPC;MDCG;27;1;"MARTINI bead: SNda_SNd";;;;;;;0.87;;-6.41;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM399557;MM399557;Cc1c(F)c(O)n(N)c1C;KZNJCHFLSXKFAT-UHFFFAOYSA-N;144.15;0.66;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNda_SNa";;;;;;;0.87;;-1.99;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM399558;MM399558;CC1(CF)C2CC(=N)NC21;YVKSCPQWHZJZTJ-UHFFFAOYSA-N;142.18;0.93;;;;;DOPC;MDCG;27;1;"MARTINI bead: SC5_SNd";;;;;;;1.64;;-4.4;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM399559;MM399559;Cc1c(N)c(C)n(N)c1O;FRXNXFKUCAMAEW-UHFFFAOYSA-N;141.17;0.11;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNd_SNda";;;;;;;0.87;;-1.92;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM399560;MM399560;CCC1(C)C2CC(=O)NC21;NMVLRLYZBUMTSV-UHFFFAOYSA-N;139.2;0.92;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC3_SP2";;;;;;;1.46;;-0.15;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM399561;MM399561;CCC(O)CCCC(C)F;ZQMFHGUKRSSCLY-UHFFFAOYSA-N;148.22;2.29;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda_C2";;;;;;;2.83;;0.57;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM399562;MM399562;CC1(CN)C2CC(=O)NC21;SUKXBLUBOHPFKK-UHFFFAOYSA-N;140.19;-0.53;;;;;DOPC;MDCG;27;1;"MARTINI bead: SNd_SP2";;;;;;;-0.24;;-5.21;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM399563;MM399563;Cc1c(N)c(F)c(O)n1N;IAYBAFZCPMURNG-UHFFFAOYSA-N;145.14;-0.06;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNda_SNda";;;;;;;0.87;;-2.07;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM399564;MM399564;CCC1(N)C2CC(=N)NC21;LUPGXHDFWNXCQC-UHFFFAOYSA-N;139.2;0.06;;;;;DOPC;MDCG;27;1;"MARTINI bead: SNd_SNd";;;;;;;0.87;;-6.33;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM399565;MM399565;Cc1c(F)c(C)n(N)c1O;VCCKAVKRMUDKLZ-UHFFFAOYSA-N;144.15;0.66;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNda_SNa";;;;;;;0.87;;-1.99;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM399566;MM399566;CCC1(N)C2CC(=O)NC21;REFZAXZLINGXGS-UHFFFAOYSA-N;140.19;-0.39;;;;;DOPC;MDCG;27;1;"MARTINI bead: SNd_SP2";;;;;;;-0.24;;-5.03;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM399567;MM399567;CCC(O)CCCC(F)F;ZJZULCAJIAHNAE-UHFFFAOYSA-N;152.18;2.19;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda_C5";;;;;;;1.64;;0.05;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM399568;MM399568;NCC1(N)C2CC(=O)NC21;MZIBUEBTFCGVLP-UHFFFAOYSA-N;141.17;-1.84;;;;;DOPC;MDCG;27;1;"MARTINI bead: SP2_SP2";;;;;;;-1.34;;-6;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM399569;MM399569;Cc1c(F)c(F)c(O)n1N;IQNMTUJYFTWDOC-UHFFFAOYSA-N;148.11;0.49;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC5_SNda";;;;;;;1.64;;0.05;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM399570;MM399570;CCC1(O)C2CC(=N)NC21;GMGMWZNMQQPMGA-UHFFFAOYSA-N;140.19;0.1;;;;;DOPC;MDCG;27;1;"MARTINI bead: SNda_SNd";;;;;;;0.87;;-5.84;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM399571;MM399571;Cc1c(C)c(F)n(N)c1C;KTZYVGUSZILQMX-UHFFFAOYSA-N;142.18;1.27;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNda_SC5";;;;;;;1.64;;0.05;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM399572;MM399572;CCC1(O)C2CC(=O)NC21;VTDSAZMJGYXLCS-UHFFFAOYSA-N;141.17;-0.35;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNda_SP2";;;;;;;-0.24;;-3.31;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM399573;MM399573;Cc1c(N)c(F)n(N)c1C;SGCNFEALOLEQHG-UHFFFAOYSA-N;143.17;0.54;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNda_SC5";;;;;;;1.64;;0.05;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM399574;MM399574;CCC1(F)C2CC(=O)NC21;CGKTZKMXFYTNBC-UHFFFAOYSA-N;143.16;0.62;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC5_SP2";;;;;;;0.54;;-1.09;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM399575;MM399575;Cc1c(F)c(F)n(N)c1C;GOZQTXYZDQTTLL-UHFFFAOYSA-N;146.14;1.1;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNda_SNa";;;;;;;0.87;;-1.99;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM399576;MM399576;C=C1CC2C(O1)C2(C)CN;WLDSACZGEIXINF-UHFFFAOYSA-N;139.2;0.88;;;;;DOPC;MDCG;27;1;"MARTINI bead: SNd_SNa";;;;;;;0.87;;-4.3;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM399577;MM399577;Cc1c(N)c(C)n(N)c1F;KVPLYWIBOIVVIY-UHFFFAOYSA-N;143.17;0.54;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNd_SNda";;;;;;;0.87;;-1.92;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM399578;MM399578;C=C1CC2C(O1)C2(C)CO;PJHDOFMUIMBJMX-UHFFFAOYSA-N;140.18;0.92;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNda_SNa";;;;;;;0.87;;-1.99;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM399579;MM399579;Cc1c(N)c(N)c(F)n1N;NOKZKZWOJWDYAX-UHFFFAOYSA-N;144.15;-0.19;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNd_SNda";;;;;;;0.87;;-1.92;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM399580;MM399580;CCC1(C)C2CC(=O)OC21;MOKQTLPCGMFCGK-UHFFFAOYSA-N;140.18;1.35;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC3_SNa";;;;;;;2.57;;0.45;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM399581;MM399581;Cc1c(N)c(F)c(F)n1N;NHJOZSJCGNOIJP-UHFFFAOYSA-N;147.13;0.37;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNda_SNda";;;;;;;0.87;;-2.07;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM399582;MM399582;C=C1CC2C(O1)C2(N)CO;OYDICPWZQLNXNR-UHFFFAOYSA-N;141.17;-0.39;;;;;DOPC;MDCG;27;1;"MARTINI bead: SP2_SNa";;;;;;;-0.24;;-4.78;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM399583;MM399583;CN=Cn1oc(O)nc1=O;BREOTZUGMOALQA-UHFFFAOYSA-N;143.1;-0.95;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP2_SP1";;;;;;;-1.06;;-7.95;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM399584;MM399584;C=C1CC2C(O1)C2(O)CC;JRRABIVHOCJCIF-UHFFFAOYSA-N;140.18;1.06;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNda_SNa";;;;;;;0.87;;-1.99;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM399585;MM399585;CC(C)n1onc(O)c1=O;VQTLWKMZHOSXDI-UHFFFAOYSA-N;144.13;0.12;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP1_SP1";;;;;;;-0.79;;-7.32;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM399586;MM399586;CCC1(F)C2CC(=O)OC21;PNOOWYUSIBQOII-UHFFFAOYSA-N;144.15;1.05;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC5_SNa";;;;;;;1.64;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM399587;MM399587;CCC1(C)C2CC(=N)NN21;CPCIJNJJKSIDQO-UHFFFAOYSA-N;139.2;0.72;;;;;DOPC;MDCG;27;1;"MARTINI bead: SN0_SP3";;;;;;;-0.8;;-5.96;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM399588;MM399588;Cc1c(F)c(C)n(N)c1F;PEPDDQLGZILVBL-UHFFFAOYSA-N;146.14;1.1;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNa_SNda";;;;;;;0.87;;-1.99;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM399589;MM399589;CCC1(C)C2CC(=O)NN21;ZNFRVUZJEGCKRO-UHFFFAOYSA-N;140.19;0.27;;;;;DOPC;MDCG;27;0;"MARTINI bead: SN0_SP3";;;;;;;-0.8;;-2.99;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM399590;MM399590;C#CC(=N)NC(C)=NN=C;QIHNIRDNZQHRFF-UHFFFAOYSA-N;136.16;0.22;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_C5";;;;;;;0.54;;-1.09;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM399591;MM399591;C=C1CC2C(C1)C2(O)C=O;LKROKPUSSWZJEY-UHFFFAOYSA-N;138.17;0.51;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP2_SC4";;;;;;;1.09;;-0.38;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM399592;MM399592;C=COC(=NO)C(F)C#N;ZYFHVVGBRHCKOZ-UHFFFAOYSA-N;144.11;0.8;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda_Na";;;;;;;0.87;;-6.19;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM399593;MM399593;C=C1CC2C(C1)C2(O)C#N;RFWHNBGFLKAJAX-UHFFFAOYSA-N;135.17;0.84;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP2_SC4";;;;;;;1.09;;-0.38;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM399594;MM399594;Cc1c(F)c(F)c(F)n1N;WTIIPLFOHOCAOW-UHFFFAOYSA-N;150.1;0.93;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNa_SNda";;;;;;;0.87;;-1.99;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM399595;MM399595;C=CC1(O)C2CC(=O)CC21;LHMGKZAXCHAIFC-UHFFFAOYSA-N;138.17;0.51;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNda_SNa";;;;;;;0.87;;-1.99;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM399596;MM399596;Cc1c(N)c(N)n(N)c1N;YYHXZUKXZGSSPE-UHFFFAOYSA-N;141.18;-0.74;;;;;DOPC;MDCG;27;1;"MARTINI bead: SP1_SNd";;;;;;;0.04;;-4.14;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM399597;MM399597;C=CC1(F)C2CC(=C)CC21;HWUXBHWKZRUPGB-UHFFFAOYSA-N;138.19;2.48;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC5_SC4";;;;;;;2.97;;0.45;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM399598;MM399598;C=CCC(C)CC1(O)CC1;PWYFPHOLWMQAFW-UHFFFAOYSA-N;140.23;2.11;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1_SNda";;;;;;;2.91;;0.57;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM399599;MM399599;C=C1CC2C(C1)C2(F)C=O;KXLIHYDYJACUJF-UHFFFAOYSA-N;140.16;1.49;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNa_SC4";;;;;;;2.2;;0.34;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM399600;MM399600;Cc1c(F)c(N)n(N)c1N;DHBCBPGGAIHPPA-UHFFFAOYSA-N;144.15;-0.19;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP1_SNa";;;;;;;0.04;;-2.54;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM399601;MM399601;C=C1CC2C(C1)C2(F)C#N;ZKSDJFLMVFACOT-UHFFFAOYSA-N;137.16;1.81;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNa_SC4";;;;;;;2.2;;0.34;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM399602;MM399602;Nc1c(N)c(N)n(N)c1N;KECNVSGYUOWSCW-UHFFFAOYSA-N;142.17;-1.47;;;;;DOPC;MDCG;27;1;"MARTINI bead: SP1_SP1";;;;;;;-0.79;;-4.72;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM399603;MM399603;C=CC1(C)C2CC(=N)NC21;WUKUAONHJJBPGN-UHFFFAOYSA-N;136.2;1.15;;;;;DOPC;MDCG;27;1;"MARTINI bead: SC4_SNd";;;;;;;2.2;;-3.87;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM399604;MM399604;Nc1c(O)c(O)c(N)n1N;UWJBOEZJCLWGMR-UHFFFAOYSA-N;144.13;-1.22;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP1_SP1";;;;;;;-0.79;;-3.13;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM399605;MM399605;CC1(C#N)C2CC(=N)NC21;WSNRCFDXYKEBFR-UHFFFAOYSA-N;135.17;0.49;;;;;DOPC;MDCG;27;1;"MARTINI bead: SN0_SNd";;;;;;;1.17;;-5.26;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM399606;MM399606;Nc1c(F)c(F)c(N)n1N;RABVAKMSJJWUBF-UHFFFAOYSA-N;148.12;-0.36;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNda_SP1";;;;;;;0.04;;-2.73;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM399607;MM399607;C=CC1(C)C2CC(=O)NC21;PLQMPMGROUPSRO-UHFFFAOYSA-N;137.18;0.7;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC4_SP2";;;;;;;1.09;;-0.38;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM399608;MM399608;C=C1CC(C)(CO)CC1C;LOXOTSMTLVTDQL-UHFFFAOYSA-N;140.23;1.97;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC5_SC3";;;;;;;3.34;;0.48;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM399609;MM399609;C=CC1(N)C2CC(=N)NC21;GOCGYRRYAPVBNO-UHFFFAOYSA-N;137.19;-0.16;;;;;DOPC;MDCG;27;1;"MARTINI bead: SNd_SNd";;;;;;;0.87;;-6.24;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM399610;MM399610;CN(C)N=c1onc(N)o1;ZVAHFOKYWIFMKQ-UHFFFAOYSA-N;144.13;-0.77;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_SP3";;;;;;;-1.93;;-4.72;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM399611;MM399611;C=CC1(N)C2CC(=O)NC21;RYIJAZDJCWMRMQ-UHFFFAOYSA-N;138.17;-0.61;;;;;DOPC;MDCG;27;1;"MARTINI bead: SNd_SP2";;;;;;;-0.24;;-4.45;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM399612;MM399612;Cc1c(O)c(O)n(N)c1N;SCWJNMSOMMEPPK-UHFFFAOYSA-N;143.15;-0.5;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP1_SNda";;;;;;;0.04;;-2.73;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM399613;MM399613;C=CC1(O)C2CC(=N)NC21;ZIVRHTHNEMBPAU-UHFFFAOYSA-N;138.17;-0.13;;;;;DOPC;MDCG;27;1;"MARTINI bead: SNda_SNd";;;;;;;0.87;;-5.74;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM399614;MM399614;O=CC=NNCCC(F)F;ZYLKNZWRHVZJGS-UHFFFAOYSA-N;150.13;0.42;;;;;DOPC;MDCG;27;0;"MARTINI bead: N0_P1";;;;;;;0.34;;-1.53;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM399615;MM399615;N#CC1(O)C2CC(=N)NC21;MYJDAIGBRGVELQ-UHFFFAOYSA-N;137.14;-0.79;;;;;DOPC;MDCG;27;1;"MARTINI bead: SP2_SNd";;;;;;;-0.24;;-6.6;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM399616;MM399616;CN(C=NN)N=CC=NN;QQNLHRPMTNJVEK-UHFFFAOYSA-N;142.17;-1.25;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_P1";;;;;;;-0.79;;-3.13;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM399617;MM399617;C=CC1(F)C2CC(=O)NC21;LALFZHWGPHJIFT-UHFFFAOYSA-N;141.15;0.4;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC5_SP2";;;;;;;0.54;;-1.09;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM399618;MM399618;Cc1c(O)c(N)n(N)c1O;ZHGVCODMODAGSH-UHFFFAOYSA-N;143.15;-0.5;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNda_SP1";;;;;;;0.04;;-2.73;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM399619;MM399619;C=CC1(C)C2CC(=C)OC21;PPCMBICFAQLMHS-UHFFFAOYSA-N;136.19;2.11;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC4_SNa";;;;;;;2.2;;0.34;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM399620;MM399620;CC#CC(C)=NN=CNN;NTYCPKYBXVOITF-UHFFFAOYSA-N;138.17;-0.12;;;;;DOPC;MDCG;27;0;"MARTINI bead: N0_Nd";;;;;;;1.17;;-1.04;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM399621;MM399621;C=C1CC2C(O1)C2(C)C#N;LUPAAMSKXMLMHZ-UHFFFAOYSA-N;135.17;1.45;;;;;DOPC;MDCG;27;0;"MARTINI bead: SN0_SNa";;;;;;;1.17;;-1.18;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM399622;MM399622;C=NOC(C)C(=O)CCC;PXVLZXAWKMGYBT-UHFFFAOYSA-N;143.19;1.38;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_Na";;;;;;;1.64;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM399623;MM399623;Nc1c(F)c(F)c(O)n1N;VFMZFEKSHYRXIF-UHFFFAOYSA-N;149.1;-0.23;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNda_SNda";;;;;;;0.87;;-2.07;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM399624;MM399624;C=CC1(C)C2CC(=O)OC21;WZRLDXQGMIOYEX-UHFFFAOYSA-N;138.17;1.12;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC4_SNa";;;;;;;2.2;;0.34;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM399625;MM399625;Cc1c(C)c(F)n(N)c1N;ZLENHQIEWFEERS-UHFFFAOYSA-N;143.17;0.54;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNda_SNd";;;;;;;0.87;;-1.92;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM399626;MM399626;C=CC1(N)C2CC(=C)OC21;OCFHMNNIVWHAKE-UHFFFAOYSA-N;137.18;0.8;;;;;DOPC;MDCG;27;1;"MARTINI bead: SNd_SNa";;;;;;;0.87;;-3.45;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM399627;MM399627;Cc1c(N)c(F)n(N)c1N;XRFYDFRGPNEPLP-UHFFFAOYSA-N;144.15;-0.19;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNda_SNd";;;;;;;0.87;;-1.92;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM399628;MM399628;C=CC1(N)C2CC(=O)OC21;OBSKSEKVANIGOD-UHFFFAOYSA-N;139.15;-0.18;;;;;DOPC;MDCG;27;1;"MARTINI bead: SNd_SNa";;;;;;;0.87;;-3.24;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM399629;MM399629;Cc1c(F)c(F)n(N)c1N;OZOCHXIFOXNHMA-UHFFFAOYSA-N;147.13;0.37;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNda_SNa";;;;;;;0.87;;-1.99;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM399630;MM399630;C=CC1(F)C2CC(=C)OC21;DIFBIUMCMZIFIX-UHFFFAOYSA-N;140.16;1.81;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC5_SNa";;;;;;;1.64;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM399631;MM399631;Cc1c(N)c(N)n(N)c1F;FTMWYZMKFXYESD-UHFFFAOYSA-N;144.15;-0.19;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP1_SNda";;;;;;;0.04;;-2.73;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM399632;MM399632;C=CC1(F)C2CC(=O)OC21;XHFRLQTXVYCNDH-UHFFFAOYSA-N;142.13;0.83;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC5_SNa";;;;;;;1.64;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM399633;MM399633;Nc1c(N)c(F)n(N)c1N;VMTZMHLUNLMHDU-UHFFFAOYSA-N;145.14;-0.91;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNda_SP1";;;;;;;0.04;;-2.73;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM399634;MM399634;CC1(C#N)C2CC(=O)NN21;ILTUPBYWEWXZPP-UHFFFAOYSA-N;137.14;-0.61;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP1_SP3";;;;;;;-1.93;;-4.72;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM399635;MM399635;Nc1c(F)c(F)n(N)c1N;MEXZIAOGRPNFGN-UHFFFAOYSA-N;148.12;-0.36;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNda_SNda";;;;;;;0.87;;-2.07;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM399636;MM399636;C#CC1(O)C2CC(=C)CC21;IJLADRUTMGFSGO-UHFFFAOYSA-N;134.18;0.95;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP1_SC4";;;;;;;1.37;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM399637;MM399637;Cc1c(F)c(N)n(N)c1F;BGOOCFKYASCGTM-UHFFFAOYSA-N;147.13;0.37;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNda_SNda";;;;;;;0.87;;-2.07;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM399638;MM399638;C#CC1(C)C2CC(=N)NC21;GBZFFMVYWBFEOP-UHFFFAOYSA-N;134.18;0.59;;;;;DOPC;MDCG;27;1;"MARTINI bead: SC5_SNd";;;;;;;1.64;;-4.17;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM399639;MM399639;C#CCC(C)C(O)C=CC;NIWGQYLJCWIJOT-UHFFFAOYSA-N;138.21;1.58;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda_C3";;;;;;;2.57;;0.44;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM399640;MM399640;C#CC1(C)C2CC(=O)NC21;HHTZYHYATZHVHN-UHFFFAOYSA-N;135.17;0.14;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC5_SP2";;;;;;;0.54;;-1.09;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM399641;MM399641;CC(=N)n1oc(O)nc1=O;DLDQFDSFNWZTKK-UHFFFAOYSA-N;143.1;-0.61;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP2_SP1";;;;;;;-1.06;;-7.95;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM399642;MM399642;C#CC1(N)C2CC(=N)NC21;HANRDNLHSFRLLS-UHFFFAOYSA-N;135.17;-0.71;;;;;DOPC;MDCG;27;1;"MARTINI bead: SNd_SNd";;;;;;;0.87;;-6.04;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM399643;MM399643;Nc1c(F)c(F)c(F)n1N;VQKWIGKRQNFPRS-UHFFFAOYSA-N;151.09;0.2;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNda_SNda";;;;;;;0.87;;-2.07;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM399644;MM399644;C#CC1(O)C2CC(=N)NC21;FLOGUXAZGHGHGT-UHFFFAOYSA-N;136.15;-0.68;;;;;DOPC;MDCG;27;1;"MARTINI bead: SP1_SNd";;;;;;;0.04;;-6.22;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM399645;MM399645;Cc1c(C)c(O)n(N)c1O;HNPBOKVIMCXLRV-UHFFFAOYSA-N;142.16;0.23;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNda_SNda";;;;;;;0.87;;-2.07;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM399646;MM399646;C#CC1(O)C2CC(=O)NC21;ZGPMMZSZKCCCDX-UHFFFAOYSA-N;137.14;-1.13;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP1_SP2";;;;;;;-1.06;;-3.82;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM399647;MM399647;Cc1c(N)c(O)n(N)c1O;AWKKFNLCMNCSRP-UHFFFAOYSA-N;143.15;-0.5;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP1_SNda";;;;;;;0.04;;-2.73;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM399648;MM399648;C#CC1(C)C2CC(=C)OC21;SZMASARNSOPUJT-UHFFFAOYSA-N;134.18;1.56;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC5_SNa";;;;;;;1.64;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM399649;MM399649;Cc1c(F)c(O)n(N)c1O;LKLIZZNETWTAKU-UHFFFAOYSA-N;146.12;0.06;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP1_SNa";;;;;;;0.04;;-2.54;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM399650;MM399650;C#CC1(C)C2CC(=N)NN21;BJARPFVUKRLQGQ-UHFFFAOYSA-N;135.17;-0.05;;;;;DOPC;MDCG;27;1;"MARTINI bead: SP1_SP3";;;;;;;-1.93;;-7.57;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM399651;MM399651;N=C(C=NN)N(N)C=NN;MBUMILDNHOBHEJ-UHFFFAOYSA-N;143.15;-2.01;;;;;DOPC;MDCG;27;0;"MARTINI bead: P3_P1";;;;;;;-1.93;;-4.72;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM399652;MM399652;C#CC1(C)C2CC(=O)NN21;PPYGZGUMNSBQTC-UHFFFAOYSA-N;136.15;-0.5;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP1_SP3";;;;;;;-1.93;;-4.72;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM399653;MM399653;Nc1c(F)c(O)n(N)c1O;FONOCJBVAIYSEV-UHFFFAOYSA-N;147.11;-0.67;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP1_SNda";;;;;;;0.04;;-2.73;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM399654;MM399654;CC1=CC2C(C1)C2(C)CF;NDFNAPGHLNMGCH-UHFFFAOYSA-N;140.2;2.56;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC4_SC5";;;;;;;2.97;;0.45;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM399655;MM399655;Nn1c(O)c(F)c(F)c1O;JKNRTYVECCOVDT-UHFFFAOYSA-N;150.08;-0.11;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNda_SNda";;;;;;;0.87;;-2.07;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM399656;MM399656;CCC1(C)C2C=C(F)CC21;WBJWOPHRINIZLY-UHFFFAOYSA-N;140.2;2.91;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC3_SC5";;;;;;;3.34;;0.48;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM399657;MM399657;Cc1c(C)c(F)n(N)c1O;TZONZXOTUKLHPB-UHFFFAOYSA-N;144.15;0.66;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC5_SNda";;;;;;;1.64;;0.05;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM399658;MM399658;CCC1(N)C2C=C(F)CC21;GZPYFLQKXAULFT-UHFFFAOYSA-N;141.19;1.6;;;;;DOPC;MDCG;27;1;"MARTINI bead: SNd_SC5";;;;;;;1.64;;-2.78;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM399659;MM399659;Cc1c(N)c(F)n(N)c1O;WGJSEZOZWLQHJR-UHFFFAOYSA-N;145.14;-0.06;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNda_SNda";;;;;;;0.87;;-2.07;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM399660;MM399660;NCC1(N)C2C=C(F)CC21;FSVQBPFNSDOPNT-UHFFFAOYSA-N;142.18;0.15;;;;;DOPC;MDCG;27;1;"MARTINI bead: SP2_SC5";;;;;;;0.54;;-3.42;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM399661;MM399661;Cc1c(F)c(F)n(N)c1O;UERCRQDSWSTDCO-UHFFFAOYSA-N;148.11;0.49;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNda_SNda";;;;;;;0.87;;-2.07;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM399662;MM399662;CC(=NN)NN(C=O)C=O;BZYCPNLEHJYNIN-UHFFFAOYSA-N;144.13;-1.6;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nd_P3";;;;;;;-1.1;;-3.93;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM399663;MM399663;CCC1(O)C2C=C(F)CC21;JGXXVCLSHARITE-UHFFFAOYSA-N;142.17;1.63;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNda_SC5";;;;;;;1.64;;0.05;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM399664;MM399664;C=CN(NC)C(=O)C(C)=O;WUPRDTHJCHBTCX-UHFFFAOYSA-N;142.16;-0.32;;;;;DOPC;MDCG;27;0;"MARTINI bead: P3_Na";;;;;;;-1.1;;-4.2;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM399665;MM399665;CCC1(F)C2C=C(F)CC21;XNDULWXFYKTYPW-UHFFFAOYSA-N;144.16;2.61;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC5_SC5";;;;;;;2.41;;0.64;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM399666;MM399666;CCCCCC(C)C(C)O;WQADSKJNOTZWML-UHFFFAOYSA-N;144.26;2.58;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1_P1";;;;;;;2.08;;0.48;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM399667;MM399667;C=CC1(C)C2C=C(C)CC21;ULQUPBPLMISWBX-UHFFFAOYSA-N;134.22;2.77;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC4_SC4";;;;;;;3.53;;0.53;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM399668;MM399668;N#CC(O)C(CO)=NO;LXXYSWUTNIPCRY-UHFFFAOYSA-N;130.1;-1.31;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_P3";;;;;;;-2.2;;-9.14;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM399669;MM399669;CC1=CC2C(C1)C2(C)C=O;YIWCUTZTWIGPEJ-UHFFFAOYSA-N;136.19;1.79;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC4_SNa";;;;;;;2.2;;0.34;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM399670;MM399670;Nc1c(F)c(F)n(N)c1O;MREAOPUMQNUQJY-UHFFFAOYSA-N;149.1;-0.23;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP1_SNda";;;;;;;0.04;;-2.73;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM399671;MM399671;C=CC1(C)C2C=C(F)CC21;PCXMRQVVFREOLO-UHFFFAOYSA-N;138.19;2.68;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC4_SC5";;;;;;;2.97;;0.45;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM399672;MM399672;Cn1nnc(F)c1O;FRVAWXZFBRNJRE-UHFFFAOYSA-N;117.08;-0.34;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP2_SP1";;;;;;;-1.06;;-7.95;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM399673;MM399673;CC1(C=O)C2C=C(F)CC21;KWZFLIZMVAVKSS-UHFFFAOYSA-N;140.16;1.69;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNa_SC5";;;;;;;1.64;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM399674;MM399674;C=CCC(F)(F)C=NO;HNDSUPMXNLATDS-UHFFFAOYSA-N;135.11;1.66;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_C5";;;;;;;0.81;;-4.65;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM399675;MM399675;CC1(C#N)C2C=C(F)CC21;JGSQPNAQKNXADK-UHFFFAOYSA-N;137.16;2.02;;;;;DOPC;MDCG;27;0;"MARTINI bead: SN0_SC5";;;;;;;1.94;;0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM399676;MM399676;CN=c1nc(C)c(O)no1;CZBAOCDYRFZHKJ-UHFFFAOYSA-N;141.13;-0.39;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP2_SP2";;;;;;;-1.34;;-8.45;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM399677;MM399677;C=CC(=NN)NC(=N)CF;ZESXGROPWPJUMZ-UHFFFAOYSA-N;144.15;-0.02;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nd_P2";;;;;;;-0.24;;-3.16;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM399678;MM399678;Cc1c(F)c(O)n(N)c1F;HYZHJJBELVZHLN-UHFFFAOYSA-N;148.11;0.49;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNda_SNda";;;;;;;0.87;;-2.07;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM399679;MM399679;CC1=CC2C(C1)C2(O)C=O;JYTVDANDCFNQQK-UHFFFAOYSA-N;138.17;0.51;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC4_SP2";;;;;;;1.09;;-0.38;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM399680;MM399680;Nc1c(F)c(O)n(N)c1F;YWKCIXFNGDJIEV-UHFFFAOYSA-N;149.1;-0.23;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNda_SNda";;;;;;;0.87;;-2.07;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM399681;MM399681;C=CC1(O)C2C=C(F)CC21;YBVSERFIXSFBFL-UHFFFAOYSA-N;140.16;1.41;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNda_SC5";;;;;;;1.64;;0.05;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM399682;MM399682;CN=NC(=CNO)C(=O)O;HGCHSBJQRUBVMH-UHFFFAOYSA-N;145.12;-0.03;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_P3";;;;;;;-0.33;;-5.88;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM399683;MM399683;O=CC1(O)C2C=C(F)CC21;LMTMMXWATRFXSX-UHFFFAOYSA-N;142.13;0.42;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP2_SC5";;;;;;;0.54;;-1.09;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM399684;MM399684;Nn1c(O)c(F)c(F)c1F;XKZSYZYWNFMCDK-UHFFFAOYSA-N;152.08;0.32;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNda_SNda";;;;;;;0.87;;-2.07;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM399685;MM399685;C=CC1(F)C2C=C(C)CC21;HLBTYKKBWXVMLP-UHFFFAOYSA-N;138.19;2.48;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC4_SC5";;;;;;;2.97;;0.45;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM399686;MM399686;Cc1c(C)c(F)n(N)c1F;SKCMYWFLCZXXPQ-UHFFFAOYSA-N;146.14;1.1;;;;;DOPC;MDCG;27;0;"MARTINI bead: SN0_SNda";;;;;;;1.17;;-1.13;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM399687;MM399687;C=CC1(F)C2C=C(F)CC21;SBVHLXPTOQGLPK-UHFFFAOYSA-N;142.15;2.38;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC5_SC5";;;;;;;2.41;;0.64;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM399688;MM399688;Cc1c(N)c(F)n(N)c1F;RXWOIYMDVWAFNQ-UHFFFAOYSA-N;147.13;0.37;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNda_SN0";;;;;;;1.17;;-1.13;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM399689;MM399689;C#CC1(C)C2C=C(C)CC21;DFHMJCKKXNSRSY-UHFFFAOYSA-N;132.21;2.22;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC4_SC5";;;;;;;2.97;;0.45;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM399690;MM399690;CN=c1[nH]c(OC)no1;RIWBBFAPZNSBLX-UHFFFAOYSA-N;129.12;-0.46;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNda_SP2";;;;;;;-0.24;;-7.44;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM399691;MM399691;C#CC1(C)C2C=C(F)CC21;YBERHMBNPNEVDP-UHFFFAOYSA-N;136.17;2.13;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC5_SC5";;;;;;;2.41;;0.64;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM399692;MM399692;Cc1c(F)c(F)n(N)c1F;HYFNSXABBMOIJE-UHFFFAOYSA-N;150.1;0.93;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNda_SN0";;;;;;;1.17;;-1.13;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM399693;MM399693;C#CC1(N)C2C=C(C)CC21;ICGRXSGRJDYLAN-UHFFFAOYSA-N;133.19;0.91;;;;;DOPC;MDCG;27;1;"MARTINI bead: SC4_SNd";;;;;;;2.2;;-1.09;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM399694;MM399694;C=CCCCC(C)C(C)O;AQKLLSFYOWLPKI-UHFFFAOYSA-N;142.24;2.36;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_C1";;;;;;;2.08;;0.48;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM399695;MM399695;C#CC1(N)C2C=C(F)CC21;JGMKXEXZIWVYDK-UHFFFAOYSA-N;137.16;0.82;;;;;DOPC;MDCG;27;1;"MARTINI bead: SNd_SC5";;;;;;;1.64;;-1.56;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM399696;MM399696;C=NOCC(C)(O)C(=O)O;MRQQLIVPQHCZJQ-UHFFFAOYSA-N;147.13;-0.55;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_P1";;;;;;;-1.06;;-7.95;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM399697;MM399697;C#CC1(O)C2C=C(F)CC21;LLHOLVDHEIDPOZ-UHFFFAOYSA-N;138.14;0.85;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP1_SC5";;;;;;;0.81;;-0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM399698;MM399698;CC(=NN=CNN)N(C)N;GZDFDQCLLDIMIY-UHFFFAOYSA-N;144.18;-1.38;;;;;DOPC;MDCG;27;0;"MARTINI bead: P3_Nd";;;;;;;-1.1;;-3.93;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM399699;MM399699;CC1(C)C(N)C1CC1CC1;AKIUMFNHKWTPQI-UHFFFAOYSA-N;139.24;1.77;;;;;DOPC;MDCG;27;1;"MARTINI bead: SNd_SC5";;;;;;;1.64;;-2.26;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM399700;MM399700;CNN(C=O)CC(=O)O;TZKYQZFOGRJTKJ-UHFFFAOYSA-N;132.12;-1.34;;;;;DOPC;MDCG;27;0;"MARTINI bead: P3_P1";;;;;;;-1.93;;-8.64;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM399701;MM399701;CC1(C)C(N)C1OC1CC1;FNYUQDFDUADESY-UHFFFAOYSA-N;141.21;0.9;;;;;DOPC;MDCG;27;1;"MARTINI bead: SNd_SP1";;;;;;;0.04;;-4.21;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM399702;MM399702;NNc1n[nH]n(N)c1=O;CEIALWGEQNNCFP-UHFFFAOYSA-N;130.11;-2.43;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP2_SP3";;;;;;;-2.2;;-9.14;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM399703;MM399703;CC1(C)C(N)C1CC1CN1;BOUPTJHEHJKPTJ-UHFFFAOYSA-N;140.23;0.33;;;;;DOPC;MDCG;27;1;"MARTINI bead: SNd_SP1";;;;;;;0.04;;-4.99;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM399704;MM399704;Nn1c(F)c(F)c(F)c1F;NZOFORHEQWWLID-UHFFFAOYSA-N;154.07;0.76;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNda_SC5";;;;;;;1.64;;0.05;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM399705;MM399705;CC1C(CC2CO2)C1(C)C;PGNWZIAZJFLZGC-UHFFFAOYSA-N;140.23;2.07;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNa_SC4";;;;;;;2.2;;0.34;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM399706;MM399706;Cc1c(C)c(C)n(O)c1C;XQOKGIHDLZSPQI-UHFFFAOYSA-N;139.2;1.96;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC5_SNda";;;;;;;1.64;;0.05;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM399707;MM399707;CC1(C)C(N)C1CC1CO1;UGGMALBFKPFVEE-UHFFFAOYSA-N;141.21;0.76;;;;;DOPC;MDCG;27;1;"MARTINI bead: SNd_SNa";;;;;;;0.87;;-4.24;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM399708;MM399708;N=c1oc(=O)c(N)nn1N;CJCQBPBXMQCOOJ-UHFFFAOYSA-N;143.11;-2.39;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP2_SP3";;;;;;;-2.2;;-5.19;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM399709;MM399709;CC1(C)C(N)C1CN1CC1;QUKDJNBBLDROFA-UHFFFAOYSA-N;140.23;0.29;;;;;DOPC;MDCG;27;1;"MARTINI bead: SNd_SP1";;;;;;;0.04;;-4.66;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM399710;MM399710;Cc1c(F)c(C)n(O)c1C;BTVZKWXWXZVKIK-UHFFFAOYSA-N;143.16;1.79;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNda_SNa";;;;;;;0.87;;-1.99;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM399711;MM399711;CCC(C)C(C)C1CC1C;AMLPJEWORXZQTM-UHFFFAOYSA-N;140.27;3.32;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1_SC3";;;;;;;4.61;;0.31;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM399712;MM399712;C#CC(=O)C1NC1(C)CC;FVRKBSPZFZIJFQ-UHFFFAOYSA-N;137.18;0.33;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNd_P1";;;;;;;0.04;;-2.63;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM399713;MM399713;CC(=CF)N(N)C(C)=NN;ORJXHTMYJZSWHV-UHFFFAOYSA-N;146.17;0.29;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4_P3";;;;;;;0.23;;-1.03;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM399714;MM399714;Cc1c(N)c(F)c(C)n1O;QOINVNGLLFFOSW-UHFFFAOYSA-N;144.15;1.06;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNda_SNda";;;;;;;0.87;;-2.07;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM399715;MM399715;COCOC(=N)NC=NN;QBIIULDIYGHROR-UHFFFAOYSA-N;146.15;-0.97;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_P1";;;;;;;-1.06;;-3.82;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM399716;MM399716;Cc1c(F)c(F)c(C)n1O;LEPVLFDSEOZWTK-UHFFFAOYSA-N;147.12;1.62;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC5_SNda";;;;;;;1.64;;0.05;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM399717;MM399717;CC1CC1C(C)C(O)CN;RPSFPXFBXINCAL-UHFFFAOYSA-N;143.23;0.6;;;;;DOPC;MDCG;27;1;"MARTINI bead: SC5_P1";;;;;;;0.81;;-2.66;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM399718;MM399718;C=CC1CCC(C)(CO)C1;QSEKKJFGRYZDQI-UHFFFAOYSA-N;140.23;1.97;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC5_SC2";;;;;;;3.6;;0.34;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM399719;MM399719;CC1CC1C(C)C(O)CO;WNYLGMZPBRJUNJ-UHFFFAOYSA-N;144.21;0.63;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC5_P1";;;;;;;0.81;;-0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM399720;MM399720;CC(C)C#CC(=NN)NN;NGDDUPOSCIOOPC-UHFFFAOYSA-N;140.19;-0.62;;;;;DOPC;MDCG;27;0;"MARTINI bead: C3_P3";;;;;;;0.6;;-0.8;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM399721;MM399721;CC1CC1C(C)C(O)CF;QYPJPSCKJKQZTH-UHFFFAOYSA-N;146.21;1.61;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC5_Nda";;;;;;;1.64;;0.05;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM399722;MM399722;Cc1c(O)c(N)n(O)c1C;MOFAVNNBKJSDKA-UHFFFAOYSA-N;142.16;0.63;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP1_SNda";;;;;;;0.04;;-2.73;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM399723;MM399723;CC1CC1C(C)C(F)CN;HSFWJWAVEBUTGO-UHFFFAOYSA-N;145.22;1.58;;;;;DOPC;MDCG;27;1;"MARTINI bead: SC5_Nda";;;;;;;1.64;;-1.39;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM399724;MM399724;Cc1c(F)c(N)n(O)c1C;FFDFWMVKRBWMQM-UHFFFAOYSA-N;144.15;1.06;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP1_SNa";;;;;;;0.04;;-2.54;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM399725;MM399725;CCC(C)C(N)C1CC1C;IAEAWOUBVYFEPQ-UHFFFAOYSA-N;141.26;2.02;;;;;DOPC;MDCG;27;1;"MARTINI bead: C1_SNd";;;;;;;2.91;;-0.86;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM399726;MM399726;CCC1(CC)CC1C(C)O;FHLZOBCCBMFFJY-UHFFFAOYSA-N;142.24;2.19;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC1_P1";;;;;;;2.08;;0.48;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM399727;MM399727;CC1CC1C(N)C(O)CN;SHQKNOFNIRRABA-UHFFFAOYSA-N;144.22;-0.71;;;;;DOPC;MDCG;27;1;"MARTINI bead: SNd_P3";;;;;;;-1.1;;-6.26;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM399728;MM399728;CCC1(CC)CCC(O)C1;BZNFQCHLCNFMMJ-UHFFFAOYSA-N;142.24;2.34;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC1_SNda";;;;;;;2.91;;0.57;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM399729;MM399729;CCC(O)C(C)C1CC1N;VVQMSPGGRCAEFD-UHFFFAOYSA-N;143.23;0.74;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nda_SNd";;;;;;;0.87;;-4.25;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM399730;MM399730;Cc1c(N)c(F)c(N)n1O;PQYFTHSIKJKVLL-UHFFFAOYSA-N;145.14;0.34;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNda_SP1";;;;;;;0.04;;-2.73;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM399731;MM399731;CCC(O)C(C)C1CC1O;RCTURNDBBITZQR-UHFFFAOYSA-N;144.21;0.77;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda_SNda";;;;;;;0.87;;-2.07;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM399732;MM399732;CNC1(C#N)C=CC(=O)C1;VJBJSCDOWSFGLH-UHFFFAOYSA-N;136.15;;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNd_SNa";;;;;;;0.87;;-1.88;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM399733;MM399733;CCC(O)C(C)C1CC1F;PCASHUJVUIPJNY-UHFFFAOYSA-N;146.21;1.75;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda_SC5";;;;;;;1.64;;0.05;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM399734;MM399734;C=CC(C)(O)CCC1CC1;KLXXDYRNYVHQRB-UHFFFAOYSA-N;140.23;2.11;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_SC5";;;;;;;2.41;;0.64;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM399735;MM399735;CCC(C)N(C)C1CC1C;CJZQYOJIFKSAOQ-UHFFFAOYSA-N;141.26;2.13;;;;;DOPC;MDCG;27;1;"MARTINI bead: C1_SNd";;;;;;;2.91;;-0.71;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM399736;MM399736;Cc1c(F)c(F)c(N)n1O;NUIFOZLTTLCTPL-UHFFFAOYSA-N;148.11;0.89;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC5_SP1";;;;;;;0.81;;-0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM399737;MM399737;CCC(C)N(C)C1CC1N;CPBGNJALYORHDY-UHFFFAOYSA-N;142.25;0.82;;;;;DOPC;MDCG;27;1;"MARTINI bead: C1_SP2";;;;;;;1.8;;-1.02;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM399738;MM399738;Cc1c(C)c(O)n(O)c1C;MAIKRCLBRQQUIV-UHFFFAOYSA-N;141.17;1.36;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC5_SNda";;;;;;;1.64;;0.05;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM399739;MM399739;CCC(C)C(C)C1OC1C;PAQPJJYYBKVFOB-UHFFFAOYSA-N;142.24;2.46;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1_SNa";;;;;;;2.91;;0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM399740;MM399740;Cc1c(N)c(O)n(O)c1C;HTEUSBJLASUCPT-UHFFFAOYSA-N;142.16;0.63;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNd_SNda";;;;;;;0.87;;-1.92;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM399741;MM399741;CCC(N)C(C)C1OC1C;SVBNJYLCXLCUFB-UHFFFAOYSA-N;143.23;1.15;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_SNa";;;;;;;0.87;;-4.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM399742;MM399742;Cc1c(F)c(O)n(O)c1C;FRFRJGDTADIQLJ-UHFFFAOYSA-N;145.13;1.19;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNda_SNa";;;;;;;0.87;;-1.99;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM399743;MM399743;CCC(O)C(C)C1OC1C;YNJUKZJNIOSMLF-UHFFFAOYSA-N;144.21;1.18;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda_SNa";;;;;;;0.87;;-1.99;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM399744;MM399744;Cc1c(N)c(C)n(O)c1O;DTLXZHVROHHXII-UHFFFAOYSA-N;142.16;0.63;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNd_SNda";;;;;;;0.87;;-1.92;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM399745;MM399745;CCN(C)C(C)C1CN1C;BLYIAOMBBBSOED-UHFFFAOYSA-N;142.25;0.64;;;;;DOPC;MDCG;27;1;"MARTINI bead: C5_SP1";;;;;;;0.81;;-2.41;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM399746;MM399746;Cc1c(N)c(N)c(O)n1O;OGXAQTZFGSHZBB-UHFFFAOYSA-N;143.15;-0.1;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNd_SP1";;;;;;;0.04;;-2.63;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM399747;MM399747;CCC(N)C(C)N1CC1C;KOWYYRVYKKVJNN-UHFFFAOYSA-N;142.25;0.82;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_SNd";;;;;;;0.87;;-4.4;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM399748;MM399748;Cc1c(N)c(F)c(O)n1O;UXHHZHMLVMXCFS-UHFFFAOYSA-N;146.12;0.46;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNda_SNda";;;;;;;0.87;;-2.07;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM399749;MM399749;CC1CN1C(C)C(N)CN;ZALYQJCPSFSXNX-UHFFFAOYSA-N;143.23;-0.64;;;;;DOPC;MDCG;27;1;"MARTINI bead: SNd_P4";;;;;;;-1.19;;-6.71;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM399750;MM399750;Cc1c(F)c(C)n(O)c1O;ZBQOACWMUUXWGA-UHFFFAOYSA-N;145.13;1.19;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNda_SNa";;;;;;;0.87;;-1.99;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM399751;MM399751;C=CC(C)C(C)C1CC1C;PNQQKLLARBNRCI-UHFFFAOYSA-N;138.25;3.1;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC5_C1";;;;;;;3.68;;0.46;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM399752;MM399752;Cc1c(F)c(N)c(O)n1O;ZJUURYLDZBALBX-UHFFFAOYSA-N;146.12;0.46;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNda_SNda";;;;;;;0.87;;-2.07;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM399753;MM399753;C=CC(N)C(C)C1CC1C;UEUJHIKMBVYAOU-UHFFFAOYSA-N;139.24;1.79;;;;;DOPC;MDCG;27;1;"MARTINI bead: SC5_Nd";;;;;;;1.64;;-2.42;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM399754;MM399754;Cc1c(F)c(F)c(O)n1O;GXCXQGUMTDOKKV-UHFFFAOYSA-N;149.1;1.02;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC5_SNda";;;;;;;1.64;;0.05;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM399755;MM399755;C=NOCC(=N)NC=NN;MTZMLOAIDTUYOR-UHFFFAOYSA-N;143.15;-0.91;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_P2";;;;;;;-1.06;;-3.82;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM399756;MM399756;Cc1c(C)c(F)n(O)c1C;UNSFMOLRYXGUBU-UHFFFAOYSA-N;143.16;1.79;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNda_SC5";;;;;;;1.64;;0.05;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM399757;MM399757;C=CC(F)C(C)C1CC1C;NWEYFUFJOSTGKD-UHFFFAOYSA-N;142.22;2.8;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC5_C3";;;;;;;3.34;;0.48;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM399758;MM399758;Cc1c(N)c(F)n(O)c1C;JHOMAVZYJYQSEW-UHFFFAOYSA-N;144.15;1.06;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC5_SNda";;;;;;;1.64;;0.05;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM399759;MM399759;C=CC(N)C(N)C1CC1C;ZBFFJCLAYQBXFS-UHFFFAOYSA-N;140.23;0.48;;;;;DOPC;MDCG;27;1;"MARTINI bead: SNd_P1";;;;;;;0.04;;-5;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM399760;MM399760;Cc1c(F)c(F)n(O)c1C;DYWRMFFGTKXPFZ-UHFFFAOYSA-N;147.12;1.62;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNda_SNa";;;;;;;0.87;;-1.99;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM399761;MM399761;CC1CC1C(C)N(C)C=N;DKJZGCSNLFCWJM-UHFFFAOYSA-N;140.23;1.57;;;;;DOPC;MDCG;27;1;"MARTINI bead: SC5_Nd";;;;;;;1.64;;-4.18;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM399762;MM399762;Cc1c(N)c(C)n(O)c1F;BDTQMJNNWKPHPF-UHFFFAOYSA-N;144.15;1.06;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNd_SNda";;;;;;;0.87;;-1.92;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM399763;MM399763;CC1CC1C(C)N(C)C=O;UDOJGOASAXQNBO-UHFFFAOYSA-N;141.21;1.12;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC5_P1";;;;;;;0.81;;-0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM399764;MM399764;Cc1c(N)c(N)c(F)n1O;JAATYLKCDAUVCC-UHFFFAOYSA-N;145.14;0.34;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNd_SNda";;;;;;;0.87;;-1.92;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM399765;MM399765;CC1CC1C(C)N(N)C=N;LWJZTBRRSHGUOQ-UHFFFAOYSA-N;141.22;0.81;;;;;DOPC;MDCG;27;1;"MARTINI bead: SC5_P2";;;;;;;0.54;;-3.47;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM399766;MM399766;C=CC(=CC(=O)O)C(C)=O;WMPXWRYVUMMNHT-UHFFFAOYSA-N;140.14;0.77;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_P1";;;;;;;0.81;;-4.66;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM399767;MM399767;CC1CC1C(C)N(N)C=O;MYKFLKLJUREITK-UHFFFAOYSA-N;142.2;0.36;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC5_P2";;;;;;;0.54;;-1.09;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM399768;MM399768;Cc1c(N)c(F)c(F)n1O;YHFJRSYHRKPFSB-UHFFFAOYSA-N;148.11;0.89;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNda_SNda";;;;;;;0.87;;-2.07;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM399769;MM399769;CC(C1CC1N)N(C)C=O;HHKOAGMBUVSUTL-UHFFFAOYSA-N;142.2;-0.19;;;;;DOPC;MDCG;27;1;"MARTINI bead: SP1_P1";;;;;;;-0.79;;-5.34;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM399770;MM399770;CC=CC(C=O)=CC(=O)O;AKFBAZVEVWLJOM-UHFFFAOYSA-N;140.14;0.77;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_P1";;;;;;;0.81;;-4.66;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM399771;MM399771;C=NN(C)C(C)C1CC1C;FKRDIXKBJAMPMO-UHFFFAOYSA-N;140.23;1.58;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC5_P1";;;;;;;0.81;;-0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM399772;MM399772;O=CC#CC=CC(=O)O;JPAYYYFGMCSGED-UHFFFAOYSA-N;124.1;-0.17;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_C5";;;;;;;0.81;;-4.66;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM399773;MM399773;CC1CC1N(C)N(C)C=N;LIZJHLVTDFIZEO-UHFFFAOYSA-N;141.22;0.78;;;;;DOPC;MDCG;27;1;"MARTINI bead: SC5_P4";;;;;;;-0.41;;-5.36;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM399774;MM399774;O=CN=c1[nH]oc(=O)o1;XSOWDPXTMJXYBJ-UHFFFAOYSA-N;130.06;-1.38;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_SP2";;;;;;;-1.34;;-8.46;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM399775;MM399775;C=CC(N)C(C)C1NC1C;AKKYFOXBFGLLNA-UHFFFAOYSA-N;140.23;0.5;;;;;DOPC;MDCG;27;1;"MARTINI bead: SNd_P1";;;;;;;0.04;;-4.81;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM399776;MM399776;Cc1c(F)c(C)n(O)c1F;SCWZHEDYVPJPHQ-UHFFFAOYSA-N;147.12;1.62;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNa_SNda";;;;;;;0.87;;-1.99;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM399777;MM399777;CC1NC1C(C)N(N)C=N;YXBJYKACDBQFKQ-UHFFFAOYSA-N;142.21;-0.48;;;;;DOPC;MDCG;27;1;"MARTINI bead: SP1_P2";;;;;;;-1.06;;-5.88;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM399778;MM399778;Cc1c(F)c(N)c(F)n1O;YGJNOTPMPWJMOT-UHFFFAOYSA-N;148.11;0.89;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNa_SNda";;;;;;;0.87;;-1.99;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM399779;MM399779;CC1OC1C(C)N(C)C=O;MDMDBVXBHIINLR-UHFFFAOYSA-N;143.19;0.25;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNa_P1";;;;;;;0.04;;-2.54;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM399780;MM399780;C=C(C)CNC(=O)C(=O)O;YMHUCZBXWYILCO-UHFFFAOYSA-N;143.14;-0.24;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4_P3";;;;;;;0.23;;-5.08;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM399781;MM399781;CC(C1CN1C)N(N)C=O;SPZDFUVXMKSWGA-UHFFFAOYSA-N;143.19;-0.98;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP1_P2";;;;;;;-1.06;;-3.82;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM399782;MM399782;Cc1c(F)c(F)c(F)n1O;CXTQUCFACCKJCR-UHFFFAOYSA-N;151.09;1.45;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNa_SNda";;;;;;;0.87;;-1.99;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM399783;MM399783;C#CC(C)C(C)C1CC1C;CBDLFCIRUSSTDV-UHFFFAOYSA-N;136.24;2.55;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC5_C2";;;;;;;3.6;;0.34;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM399784;MM399784;CCC(C)(O)C=CC1CC1;ZGKCYTUHPSXBRO-UHFFFAOYSA-N;140.23;2.11;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_SC5";;;;;;;2.41;;0.64;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM399785;MM399785;C#CC(N)C(C)C1CC1C;XTDYCQWEWJRWON-UHFFFAOYSA-N;137.23;1.24;;;;;DOPC;MDCG;27;1;"MARTINI bead: SC5_Nd";;;;;;;1.64;;-1.76;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM399786;MM399786;Cc1c(O)c(N)n(O)c1N;XTXFZDHBKNYNRT-UHFFFAOYSA-N;143.15;-0.1;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP2_SNda";;;;;;;-0.24;;-3.31;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM399787;MM399787;C=CC(O)C(C)C(=C)CC;XBWKOUUVTVUBEI-UHFFFAOYSA-N;140.23;2.14;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1_Nda";;;;;;;2.91;;0.57;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM399788;MM399788;C=C(CC)C(C)C1CC1C;BFERAUGNSWZMCB-UHFFFAOYSA-N;138.25;3.24;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1_SC5";;;;;;;3.68;;0.46;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM399789;MM399789;C=CC(O)C(C)C(C)=CC;ODXJPMQNLBWITF-UHFFFAOYSA-N;140.23;2.14;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1_Nda";;;;;;;2.91;;0.57;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM399790;MM399790;C=C(CN)C(C)C1CC1C;HOVBFUDGUHEXMZ-UHFFFAOYSA-N;139.24;1.79;;;;;DOPC;MDCG;27;1;"MARTINI bead: SC5_Nd";;;;;;;1.64;;-2.14;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM399791;MM399791;Nc1c(F)c(F)c(N)n1O;HOOGKUBEOLFGTB-UHFFFAOYSA-N;149.1;0.17;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC5_SP2";;;;;;;0.54;;-1.09;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM399792;MM399792;C=C(CF)C(C)C1CC1C;YNZURQPCYRJONO-UHFFFAOYSA-N;142.22;2.8;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC5_C3";;;;;;;3.34;;0.48;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM399793;MM399793;C#CCCC(O)C(C)=CC;PSTJUVCBZKLWHY-UHFFFAOYSA-N;138.21;1.73;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_C5";;;;;;;2.41;;0.64;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM399794;MM399794;C=C(CC)C(N)C1CC1C;ARKNFQXOHZOXIR-UHFFFAOYSA-N;139.24;1.94;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_SC5";;;;;;;1.64;;-2.45;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM399795;MM399795;CNN=CC(=O)C(F)=CF;FEBULQWSTQUQKY-UHFFFAOYSA-N;148.11;0.54;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_C5";;;;;;;0.81;;-0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM399796;MM399796;C=C(CO)C(C)C1CC1N;LCDUPHGLGHZAES-UHFFFAOYSA-N;141.21;0.52;;;;;DOPC;MDCG;27;1;"MARTINI bead: SP1_C5";;;;;;;0.81;;-3.11;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM399797;MM399797;Cc1c(F)c(O)n(O)c1N;OURFPJAVNPPNLL-UHFFFAOYSA-N;146.12;0.46;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP1_SNa";;;;;;;0.04;;-2.54;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM399798;MM399798;C#CCOC(=N)NC=NN;HBZXRQLTIVGULX-UHFFFAOYSA-N;140.15;-0.94;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_P1";;;;;;;-0.79;;-3.13;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM399799;MM399799;C=CCCCCC(O)CC;JBJYLTZLJVABMW-UHFFFAOYSA-N;142.24;2.5;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda_C1";;;;;;;2.91;;0.57;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM399800;MM399800;CCC(=O)C(C)C1CC1O;ARPGPJHCIDGLJH-UHFFFAOYSA-N;142.2;0.98;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_SP1";;;;;;;0.81;;-0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM399801;MM399801;CCC(O)CCCCC#N;KPWIKDYRRGWTLY-UHFFFAOYSA-N;141.21;1.84;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda_N0";;;;;;;1.17;;-1.13;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM399802;MM399802;C=C(CN)C(C)C1CC1F;YBFBAVVFYKKSMI-UHFFFAOYSA-N;143.21;1.5;;;;;DOPC;MDCG;27;1;"MARTINI bead: SNa_Nd";;;;;;;0.87;;-4.13;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM399803;MM399803;CCC(=O)ON=CNNC;OHJPQWLXWDPPHO-UHFFFAOYSA-N;145.16;-0.39;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_P2";;;;;;;-0.24;;-3.24;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM399804;MM399804;CC1CC1C(C)C(=N)NN;RQRKTTCQZQVUPL-UHFFFAOYSA-N;141.22;0.72;;;;;DOPC;MDCG;27;1;"MARTINI bead: SC5_P1";;;;;;;0.81;;-4.23;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM399805;MM399805;Cc1c(O)c(N)n(O)c1O;NVFPCLQELFMZBS-UHFFFAOYSA-N;144.13;0.03;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP1_SNda";;;;;;;0.04;;-2.73;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM399806;MM399806;C=C(CN)C(C)C1NC1C;BJHJJLWZERWXDA-UHFFFAOYSA-N;140.23;0.5;;;;;DOPC;MDCG;27;1;"MARTINI bead: SP1_Nd";;;;;;;0.04;;-4.88;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM399807;MM399807;Cc1c(F)c(N)n(O)c1O;BAUYWTMGALZCMY-UHFFFAOYSA-N;146.12;0.46;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP1_SNa";;;;;;;0.04;;-2.54;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM399808;MM399808;CNC(=N)C(C)C1NC1C;UARKZOSBOFLBLC-UHFFFAOYSA-N;141.22;0.18;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_SP1";;;;;;;0.04;;-7.59;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM399809;MM399809;Nc1c(F)c(N)n(O)c1O;TVSQVYODHYYOQZ-UHFFFAOYSA-N;147.11;-0.27;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP1_SNda";;;;;;;0.04;;-2.73;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM399810;MM399810;C=C(CN)C(C)C1CN1C;RXNOOOAPNFAHKP-UHFFFAOYSA-N;140.23;0.45;;;;;DOPC;MDCG;27;1;"MARTINI bead: SP1_Nd";;;;;;;0.04;;-4.87;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM399811;MM399811;Nc1c(F)c(F)c(O)n1O;HIZSNGNPAQFQLV-UHFFFAOYSA-N;150.08;0.29;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNda_SNda";;;;;;;0.87;;-2.07;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM399812;MM399812;CCC(F)C(=N)NC=NN;WGEZRNATUVEDLB-UHFFFAOYSA-N;146.17;0.2;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda_P1";;;;;;;0.04;;-2.73;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM399813;MM399813;Cc1c(C)c(F)n(O)c1N;HDRWXSLRKWEYOD-UHFFFAOYSA-N;144.15;1.06;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNda_SNd";;;;;;;0.87;;-1.92;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM399814;MM399814;N=C(NC=NN)C(F)CF;MAFZLYMEMDYTRH-UHFFFAOYSA-N;150.13;-0.24;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_Na";;;;;;;-0.24;;-3.24;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM399815;MM399815;Cc1c(N)c(F)n(O)c1N;QTMBQDHGEPNBDR-UHFFFAOYSA-N;145.14;0.34;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNda_SNd";;;;;;;0.87;;-1.92;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM399816;MM399816;CC=C(F)C(=N)NC=NN;ORFQBXICHOEFFZ-UHFFFAOYSA-N;144.15;0.33;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4_P4";;;;;;;0.15;;-2.18;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM399817;MM399817;Cc1c(F)c(F)n(O)c1N;AZXIMGRTNWCADC-UHFFFAOYSA-N;148.11;0.89;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNda_SNa";;;;;;;0.87;;-1.99;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM399818;MM399818;C=CC(=C)C(C)C1CC1C;ASOXAYCUTOJXPP-UHFFFAOYSA-N;136.24;3.02;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC5_C1";;;;;;;3.68;;0.46;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM399819;MM399819;C#CCNN=CN(C)C=O;ZUAXYBOWSBLZCF-UHFFFAOYSA-N;139.16;-0.76;;;;;DOPC;MDCG;27;0;"MARTINI bead: P5_N0";;;;;;;-0.81;;-4.41;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM399820;MM399820;C=C(C=O)C(C)C1CC1C;DJMFNLWVURNPQP-UHFFFAOYSA-N;138.21;2.03;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC5_Na";;;;;;;1.64;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM399821;MM399821;CCN(N)C=NN=CNN;QNWPLZXWZKAEGO-UHFFFAOYSA-N;144.18;-1.38;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_P2";;;;;;;-1.06;;-3.82;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM399822;MM399822;C=C(C#N)C(C)C1CC1C;SGAAPDXUYZNNIH-UHFFFAOYSA-N;135.21;2.36;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC5_C5";;;;;;;2.41;;0.64;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM399823;MM399823;O=COCC(O)C(=O)O;REULCISECDCYEC-UHFFFAOYSA-N;134.09;-1.4;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_P2";;;;;;;-1.06;;-7.96;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM399824;MM399824;CC(=NN)N(N)C=NC=N;XQHIFUGTCJEQSR-UHFFFAOYSA-N;142.17;-0.91;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nd_P5";;;;;;;-1.11;;-5.62;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM399825;MM399825;CNN(C)C=NN=CNN;QXKQHZOLPZQHRJ-UHFFFAOYSA-N;144.18;-1.51;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_P2";;;;;;;-1.34;;-4.31;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM399826;MM399826;C=CC(=C)C(C)C1CC1N;KLNUULMPEZWNNR-UHFFFAOYSA-N;137.23;1.71;;;;;DOPC;MDCG;27;1;"MARTINI bead: SP1_C1";;;;;;;2.08;;-1.01;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM399827;MM399827;O=CC(F)=CC(O)C(=O)O;RAGYAKZTCXJZBC-UHFFFAOYSA-N;148.09;-0.52;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_P2";;;;;;;-0.24;;-7.39;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM399828;MM399828;C#CCCNN=C(C)C=O;VBCLZDHBUVLAPF-UHFFFAOYSA-N;138.17;0.17;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_N0";;;;;;;0.34;;-1.53;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM399829;MM399829;O=C(O)C=NO;PBZUAIHRZUBBAJ-UHFFFAOYSA-N;89.05;-0.47;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_P1";;;;;;;-0.79;;-7.33;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM399830;MM399830;CC1CC1N(C)C(=N)C#N;ZQMSSIGKZRXETP-UHFFFAOYSA-N;137.19;0.83;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC5_P2";;;;;;;0.54;;-1.09;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM399831;MM399831;Cc1c(F)c(N)n(O)c1F;CYNLLRXVWIBIOU-UHFFFAOYSA-N;148.11;0.89;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNda_SNda";;;;;;;0.87;;-2.07;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM399832;MM399832;C=CC(=O)C(C)N1CC1C;KVERPEUTRYLUHS-UHFFFAOYSA-N;139.2;0.83;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNd_Na";;;;;;;0.87;;-1.88;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM399833;MM399833;Nc1c(F)c(N)n(O)c1F;FARDYKYXZFGZOF-UHFFFAOYSA-N;149.1;0.17;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNda_SNda";;;;;;;0.87;;-2.07;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM399834;MM399834;C#CC(=C)C(C)C1CC1C;PJISEAWVJMNZEQ-UHFFFAOYSA-N;134.22;2.47;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC5_C4";;;;;;;2.97;;0.45;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM399835;MM399835;N=C(NC(N)=O)C(=O)O;CNGJULYKBDKOQN-UHFFFAOYSA-N;131.09;-1.28;;;;;DOPC;MDCG;27;0;"MARTINI bead: P4_P1";;;;;;;-2.01;;-8.84;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM399836;MM399836;C#CC(=C)C(O)C1CC1N;QSVUNNOQHHAVBM-UHFFFAOYSA-N;137.18;-0.12;;;;;DOPC;MDCG;27;1;"MARTINI bead: SP1_Nda";;;;;;;0.04;;-4.97;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM399837;MM399837;Nc1c(F)c(F)c(F)n1O;AUTNVBYIZNUYOO-UHFFFAOYSA-N;152.08;0.72;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNda_SNda";;;;;;;0.87;;-2.07;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM399838;MM399838;C#CC(=C)C(C)C1CC1F;YLBFWWMEDAFUOZ-UHFFFAOYSA-N;138.19;2.17;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNa_C4";;;;;;;2.2;;0.34;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM399839;MM399839;Cc1c(C)c(O)n(O)c1O;WXCSJXKSQWYTNP-UHFFFAOYSA-N;143.14;0.75;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNda_SNda";;;;;;;0.87;;-2.07;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM399840;MM399840;C#CC(=N)N(C)C1CC1C;AVZHDCPINDQZMG-UHFFFAOYSA-N;136.2;0.94;;;;;DOPC;MDCG;27;1;"MARTINI bead: SC5_P1";;;;;;;0.81;;-3.28;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM399841;MM399841;Cc1c(N)c(O)n(O)c1O;MPRYUDALXFBZIE-UHFFFAOYSA-N;144.13;0.03;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP1_SNda";;;;;;;0.04;;-2.73;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM399842;MM399842;C#CC(=N)N(C)C1CC1O;HLBHPOIXSATWCR-UHFFFAOYSA-N;138.17;-0.34;;;;;DOPC;MDCG;27;1;"MARTINI bead: SP1_P1";;;;;;;-0.79;;-5.32;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM399843;MM399843;Cc1c(F)c(O)n(O)c1O;YPDXNFQTFJTYHZ-UHFFFAOYSA-N;147.11;0.58;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP1_SNa";;;;;;;0.04;;-2.54;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM399844;MM399844;C=C(C(C)CC)C1CC1C;GYVNOAUJZWDABD-UHFFFAOYSA-N;138.25;3.24;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1_SC4";;;;;;;4.24;;0.42;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM399845;MM399845;Nc1c(N)c(O)n(O)c1O;QDSVEPNSLCMXCJ-UHFFFAOYSA-N;145.12;-0.7;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP1_SP1";;;;;;;-0.79;;-3.13;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM399846;MM399846;C=C(C(N)CN)C1CC1N;YZRPUFHYANADPS-UHFFFAOYSA-N;141.22;-0.82;;;;;DOPC;MDCG;27;1;"MARTINI bead: P4_SNd";;;;;;;-1.19;;-7.43;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM399847;MM399847;Nc1c(F)c(O)n(O)c1O;IWRGGDIAIZYOOD-UHFFFAOYSA-N;148.09;-0.14;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP1_SNda";;;;;;;0.04;;-2.73;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM399848;MM399848;C=C(C(O)CC)C1CC1N;FMCFZTJIBJTGII-UHFFFAOYSA-N;141.21;0.66;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nda_SNd";;;;;;;0.87;;-4.21;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM399849;MM399849;O=C(O)C(F)=CNCCO;ZQMCONOYZBCRAZ-UHFFFAOYSA-N;149.12;-0.54;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_P1";;;;;;;-1.06;;-7.96;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM399850;MM399850;C=C(C(O)CC)C1CC1O;NLWDGIVABFKEPY-UHFFFAOYSA-N;142.2;0.69;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda_SNda";;;;;;;0.87;;-2.07;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM399851;MM399851;Oc1c(F)c(F)c(O)n1O;WDKQJHFXLXGIKB-UHFFFAOYSA-N;151.07;0.41;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNda_SNda";;;;;;;0.87;;-2.07;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM399852;MM399852;CNN(C)C(=O)C1CC1N;ROXJQRJDQIFELE-UHFFFAOYSA-N;143.19;-1.07;;;;;DOPC;MDCG;27;1;"MARTINI bead: P3_SP1";;;;;;;-1.93;;-6.26;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM399853;MM399853;Cc1c(C)c(F)n(O)c1O;UHMVJPJUPZJERR-UHFFFAOYSA-N;145.13;1.19;;;;;DOPC;MDCG;27;0;"MARTINI bead: SN0_SNda";;;;;;;1.17;;-1.13;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM399854;MM399854;CCC(C)C(=N)N1CC1C;VVABMYJXZULDMI-UHFFFAOYSA-N;140.23;1.71;;;;;DOPC;MDCG;27;1;"MARTINI bead: C1_SP1";;;;;;;2.08;;-2.35;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM399855;MM399855;Cc1c(N)c(F)n(O)c1O;XTSVJQJBCSNQMR-UHFFFAOYSA-N;146.12;0.46;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNda_SNda";;;;;;;0.87;;-2.07;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM399856;MM399856;CCC(N)C(=N)N1CC1C;VEWKBGPEYIPMES-UHFFFAOYSA-N;141.22;0.41;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_SP1";;;;;;;0.04;;-5.27;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM399857;MM399857;Cc1c(F)c(F)n(O)c1O;NUJQEVRMZXMDFM-UHFFFAOYSA-N;149.1;1.02;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNda_SNda";;;;;;;0.87;;-2.07;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM399858;MM399858;CCC(O)C(=N)N1CC1C;QOEBNUCCXZZDET-UHFFFAOYSA-N;142.2;0.44;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nda_SP1";;;;;;;0.04;;-5.37;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM399859;MM399859;Cc1c(N)c(O)n(O)c1F;FXHUHIQBSLVZDA-UHFFFAOYSA-N;146.12;0.46;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP1_SN0";;;;;;;0.34;;-1.53;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM399860;MM399860;CCC(C)C(=O)N1CC1C;HDLDTZOQGMYIDE-UHFFFAOYSA-N;141.21;1.26;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1_SP1";;;;;;;2.08;;0.48;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM399861;MM399861;Nc1c(N)c(F)n(O)c1O;YFLMUTZXFATVMX-UHFFFAOYSA-N;147.11;-0.27;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNda_SP1";;;;;;;0.04;;-2.73;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM399862;MM399862;CCC(O)C(=O)N1CC1C;YUEFDCBYTURDPR-UHFFFAOYSA-N;143.19;-0.01;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda_SP1";;;;;;;0.04;;-2.73;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM399863;MM399863;N=c1cnccn1C(=O)O;XYLJWSVEPUWLHN-UHFFFAOYSA-N;139.11;-0.11;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP4_SP1";;;;;;;-2.01;;-8.84;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM399864;MM399864;CCN(C)C(=N)N1CC1C;CQMLGGCYOLNRDQ-UHFFFAOYSA-N;141.22;0.58;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_SP1";;;;;;;0.04;;-7.56;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM399865;MM399865;Nc1c(F)c(F)n(O)c1O;FVTBITBJCPACSA-UHFFFAOYSA-N;150.08;0.29;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP1_SNda";;;;;;;0.04;;-2.73;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM399866;MM399866;CCN(C)C(=O)N1CC1C;XHVHYBKPFIVSFM-UHFFFAOYSA-N;142.2;0.76;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nd_SP1";;;;;;;0.04;;-2.63;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM399867;MM399867;CN=c1c(O)non1O;UHGWHUAWWSLJBX-UHFFFAOYSA-N;131.09;-1.05;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP1_SP2";;;;;;;-1.06;;-7.96;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM399868;MM399868;CCN(N)C(=O)N1CC1C;DYPMLRIIUNFPHL-UHFFFAOYSA-N;143.19;0.01;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_SP1";;;;;;;-0.79;;-3.13;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM399869;MM399869;C#CC(NC)=C(C)C(=O)O;ZYGHYBNJEPOFNA-UHFFFAOYSA-N;139.15;0.2;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_P1";;;;;;;0.81;;-4.66;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM399870;MM399870;CCN(O)C(=O)N1CC1C;NDGOUXIQJMCQSD-UHFFFAOYSA-N;144.17;0.52;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_SP1";;;;;;;-1.06;;-3.82;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM399871;MM399871;C=COC(=O)C(O)C(=O)O;JGFQKZQPEUDMPB-UHFFFAOYSA-N;146.1;-0.88;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_Na";;;;;;;-0.24;;-7.4;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM399872;MM399872;C=CC(N)C(=C)C1CC1C;OUJMBDWISWWINA-UHFFFAOYSA-N;137.23;1.71;;;;;DOPC;MDCG;27;1;"MARTINI bead: SC5_Nd";;;;;;;1.64;;-1.85;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM399873;MM399873;Cc1c(F)c(O)n(O)c1F;SLNLTGHRJDASTR-UHFFFAOYSA-N;149.1;1.02;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNda_SNda";;;;;;;0.87;;-2.07;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM399874;MM399874;C=C(C(O)C=O)C1CC1C;JPKIJTABLSJNLD-UHFFFAOYSA-N;140.18;0.76;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC4_P2";;;;;;;1.09;;-0.38;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM399875;MM399875;Nc1c(F)c(O)n(O)c1F;JUKHRLVRTLIKEJ-UHFFFAOYSA-N;150.08;0.29;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNda_SNda";;;;;;;0.87;;-2.07;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM399876;MM399876;C=C(C1CC1C)N(N)C=O;LGLVAVLDJCCMJV-UHFFFAOYSA-N;140.19;0.49;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC5_P2";;;;;;;0.54;;-1.09;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM399877;MM399877;CCOC(C)C(=O)C(=O)O;QPHHXGYXMHGPLV-UHFFFAOYSA-N;146.14;0.07;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_P2";;;;;;;0.54;;-5.22;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM399878;MM399878;C=CN(O)C(=N)C1CC1C;FEQJBRSFPVBGFM-UHFFFAOYSA-N;140.19;1.45;;;;;DOPC;MDCG;27;1;"MARTINI bead: SC5_P2";;;;;;;0.54;;-3.11;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM399879;MM399879;Cc1c(C)c(F)n(O)c1F;LZEVWTVEXLXNOA-UHFFFAOYSA-N;147.12;1.62;;;;;DOPC;MDCG;27;0;"MARTINI bead: SN0_SNda";;;;;;;1.17;;-1.13;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM399880;MM399880;C=CN(C)C(=O)C1CC1C;SNQTYZGMDVKZTC-UHFFFAOYSA-N;139.2;1.24;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC5_P2";;;;;;;0.54;;-1.09;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM399881;MM399881;Cc1c(N)c(F)n(O)c1F;LQDCGTGERVVSSJ-UHFFFAOYSA-N;148.11;0.89;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNda_SN0";;;;;;;1.17;;-1.13;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM399882;MM399882;C=C(C1CC1N)N(O)C=N;FZWMIRRGQVEUPN-UHFFFAOYSA-N;141.17;0.15;;;;;DOPC;MDCG;27;1;"MARTINI bead: SP1_P2";;;;;;;-1.06;;-5.39;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM399883;MM399883;O=CC(O)C(O)C(=O)O;JYPFTOPPKDHQEW-UHFFFAOYSA-N;134.09;-2.01;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_P2";;;;;;;-1.34;;-8.47;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM399884;MM399884;C=C(C1CC1N)N(O)C=O;GZWMZZOOHBYACS-UHFFFAOYSA-N;142.16;-0.31;;;;;DOPC;MDCG;27;1;"MARTINI bead: SP1_P2";;;;;;;-1.06;;-5.88;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM399885;MM399885;Nc1c(N)c(F)n(O)c1F;QJLIMGPUIRUODE-UHFFFAOYSA-N;149.1;0.17;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNda_SNda";;;;;;;0.87;;-2.07;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM399886;MM399886;CN(C=O)C(=N)C1CC1N;TXEGHYWAJBEDCY-UHFFFAOYSA-N;141.17;-0.6;;;;;DOPC;MDCG;27;1;"MARTINI bead: P3_SP1";;;;;;;-1.93;;-6.8;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM399887;MM399887;COCOC(OC)C(=O)O;LDDDBRZLNPLTSD-UHFFFAOYSA-N;150.13;-0.34;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_P1";;;;;;;-0.79;;-7.34;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM399888;MM399888;CN(C=N)C(=O)C1CC1N;VORYYBOFFJKVPL-UHFFFAOYSA-N;141.17;-0.6;;;;;DOPC;MDCG;27;1;"MARTINI bead: P3_SP1";;;;;;;-1.93;;-6.26;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM399889;MM399889;Nc1c(F)c(F)n(O)c1F;XBLBGGBDEMIXQU-UHFFFAOYSA-N;152.08;0.72;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC5_SNda";;;;;;;1.64;;0.05;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM399890;MM399890;C=C(C1NC1C)N(C)C=O;OSFCXVYNOKMVEY-UHFFFAOYSA-N;140.19;-0.05;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP1_P2";;;;;;;-1.06;;-3.82;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM399891;MM399891;CC(N)=CC(=O)C(=O)O;KHPCIEASNNFOHA-UHFFFAOYSA-N;129.12;-0.5;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nd_P2";;;;;;;-0.24;;-7.31;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM399892;MM399892;N=C(NC=NN)C1(F)CC1;JJRQMNAAGRHSLK-UHFFFAOYSA-N;144.15;-0.04;;;;;DOPC;MDCG;27;0;"MARTINI bead: P4_SNa";;;;;;;-1.19;;-4.76;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM399893;MM399893;N=C(NC=O)C(F)C(=O)O;QVONOWRJTUVRDA-UHFFFAOYSA-N;148.09;-0.87;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_P2";;;;;;;-1.06;;-7.97;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM399894;MM399894;C=NN(CCF)C(C)=NN;TUYVYZXOIYSGSI-UHFFFAOYSA-N;146.17;0.17;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nd_P1";;;;;;;0.04;;-2.63;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM399895;MM399895;C=C1C(C)=C(C)C(C)=C1C;RYLMKTLFCIGRQD-UHFFFAOYSA-N;134.22;3.23;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC3_SC3";;;;;;;4.27;;0.2;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM399896;MM399896;C#CC(=O)C(=NCC)NC;HSCUDMXPGKGYBP-UHFFFAOYSA-N;138.17;-0.17;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_P1";;;;;;;0.81;;-0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM399897;MM399897;C=C1C(C)=C(C)C(F)=C1C;ILSHRSRKGIGNOT-UHFFFAOYSA-N;138.19;3.14;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC3_SC4";;;;;;;3.9;;0.47;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM399898;MM399898;CC(C#N)C(=N)N1CC1C;WEOMVQCSSWGVJP-UHFFFAOYSA-N;137.19;0.83;;;;;DOPC;MDCG;27;1;"MARTINI bead: SP1_P1";;;;;;;-0.79;;-4.44;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM399899;MM399899;C=C1C(C)=C(C)C(C)=C1F;TZSDRMRIQCYNPT-UHFFFAOYSA-N;138.19;3.14;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC3_SC4";;;;;;;3.9;;0.47;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM399900;MM399900;C=CC(O)C(=N)N1CC1C;COPZFXFOHYXWOH-UHFFFAOYSA-N;140.19;0.21;;;;;DOPC;MDCG;27;1;"MARTINI bead: SP1_Nda";;;;;;;0.04;;-4.96;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM399901;MM399901;C=C1C(C)=C(F)C(C)=C1F;BQKQGXATYPSEBO-UHFFFAOYSA-N;142.15;3.04;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC4_SC4";;;;;;;3.53;;0.53;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM399902;MM399902;C#CC(C=NN)NC=NN;PFYHGTUPGURHBM-UHFFFAOYSA-N;139.16;-1.58;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_P1";;;;;;;-1.06;;-3.82;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM399903;MM399903;CC1=C(C)C(C)=C(C)C1=O;UKQVTAOVYXWPSK-UHFFFAOYSA-N;136.19;2.24;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC3_SNa";;;;;;;2.57;;0.45;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM399904;MM399904;C=CC(O)C(=O)N1CC1C;SWCPSRCZICGFOE-UHFFFAOYSA-N;141.17;-0.24;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP1_Nda";;;;;;;0.04;;-2.73;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM399905;MM399905;CC1=C(C)C(N)=C(C)C1=O;FCLYTEVXCZTKOB-UHFFFAOYSA-N;137.18;1.14;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNa_SNd";;;;;;;0.87;;-1.88;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM399906;MM399906;C=CN(N)C(=O)N1CC1C;WAKUECJERZOWPZ-UHFFFAOYSA-N;141.17;0.13;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP1_P3";;;;;;;-1.93;;-4.72;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM399907;MM399907;CC1=C(N)C(N)=C(C)C1=O;CICMYEWYPAVCMQ-UHFFFAOYSA-N;138.17;0.03;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP1_SNa";;;;;;;0.04;;-2.54;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM399908;MM399908;CC1CN1C(=O)N(N)C=N;OWXFBRCVCGBUCZ-UHFFFAOYSA-N;142.16;-0.41;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP1_P4";;;;;;;-2.01;;-5.13;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM399909;MM399909;CON(C)C=NN=CNN;YTJCYEFZMQZEMI-UHFFFAOYSA-N;145.17;-1.09;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_P2";;;;;;;-1.06;;-3.82;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM399910;MM399910;C=CN(O)C(=O)N1CC1C;ZGQTXLWDFITXJN-UHFFFAOYSA-N;142.16;0.65;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP1_P2";;;;;;;-1.06;;-3.82;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM399911;MM399911;CN(C=O)C=NN=CNN;BAKBGCAYSSMWJO-UHFFFAOYSA-N;143.15;-1.49;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda_P3";;;;;;;-1.1;;-3.97;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM399912;MM399912;C=C(CN)C(=C)C1CC1C;VOKRCLZKGTYKCU-UHFFFAOYSA-N;137.23;1.71;;;;;DOPC;MDCG;27;1;"MARTINI bead: SC5_Nd";;;;;;;1.64;;-2.1;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM399913;MM399913;CCC1CC2(O)CC1C2N;GWZMXYSLOHLACI-UHFFFAOYSA-N;141.21;0.49;;;;;DOPC;MDCG;27;1;"MARTINI bead: SC1_SP1";;;;;;;2.08;;-0.74;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM399914;MM399914;C=C(C(=O)CF)C1CC1C;NSXPVQVTMLJXID-UHFFFAOYSA-N;142.17;1.74;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC5_Na";;;;;;;1.64;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM399915;MM399915;COC1CC2(O)CC1C2C;IISJQXJCUMONDN-UHFFFAOYSA-N;142.2;0.79;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC5_SNda";;;;;;;1.64;;0.05;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM399916;MM399916;C=C(CC)C(=N)N1CC1C;HOWDENMLPSFPOP-UHFFFAOYSA-N;138.21;1.63;;;;;DOPC;MDCG;27;1;"MARTINI bead: C3_SP1";;;;;;;1.74;;-3.01;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM399917;MM399917;CCC1CC2(C)CC1N2C;LILVSDAVORASTI-UHFFFAOYSA-N;139.24;1.88;;;;;DOPC;MDCG;27;1;"MARTINI bead: SC1_SNd";;;;;;;2.91;;-0.03;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM399918;MM399918;C=C(CN)C(=N)N1CC1C;UGBDVHLZBCABAH-UHFFFAOYSA-N;139.2;0.18;;;;;DOPC;MDCG;27;1;"MARTINI bead: SP1_P1";;;;;;;-0.79;;-6.61;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM399919;MM399919;CN1C2CC1(C)CC2CN;PDZPOWOQKWIMQJ-UHFFFAOYSA-N;140.23;0.43;;;;;DOPC;MDCG;27;1;"MARTINI bead: SNd_SC5";;;;;;;1.64;;-2.44;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM399920;MM399920;C=C(CO)C(=N)N1CC1C;CQHHPTZPFMYUKK-UHFFFAOYSA-N;140.19;0.22;;;;;DOPC;MDCG;27;1;"MARTINI bead: SP1_Nda";;;;;;;0.04;;-5.96;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM399921;MM399921;CNC1CC2(C)CC1N2C;JHSODPYYLZESBH-UHFFFAOYSA-N;140.23;0.44;;;;;DOPC;MDCG;27;1;"MARTINI bead: SNd_SNd";;;;;;;0.87;;-4.76;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM399922;MM399922;CCC(=O)C(=N)N1CC1C;WWXPYOJBJVGCHD-UHFFFAOYSA-N;140.19;0.65;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_SP1";;;;;;;0.04;;-2.54;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM399923;MM399923;CC1C2CC1(O)CC2C#N;KMRDWOCLCRAKCT-UHFFFAOYSA-N;137.18;0.92;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNda_SC5";;;;;;;1.64;;0.05;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM399924;MM399924;C=CC(=O)C(=C)C1CC1C;OMQWWWISWSGKPW-UHFFFAOYSA-N;136.19;1.95;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC5_Na";;;;;;;1.64;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM399925;MM399925;CC1C2CC1(O)CN2C=N;DVQDQQGRGMRAHQ-UHFFFAOYSA-N;140.19;0.05;;;;;DOPC;MDCG;27;1;"MARTINI bead: SNda_SP1";;;;;;;0.04;;-5.8;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM399926;MM399926;C=CC(=C)C(=C)C1CC1N;CCBSCQSLZPJPCZ-UHFFFAOYSA-N;135.21;1.63;;;;;DOPC;MDCG;27;1;"MARTINI bead: SP1_C2";;;;;;;2;;-1.21;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM399927;MM399927;C=CC(O)C(C=C)CCC;LHISLVCQVSXYST-UHFFFAOYSA-N;140.23;2.14;;;;;DOPC;MDCG;27;0;"MARTINI bead: C3_C5";;;;;;;3.34;;0.48;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM399928;MM399928;C=CC(=C)C(=C)C1OC1C;VRGANWVMGOTZCD-UHFFFAOYSA-N;136.19;2.07;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNa_C2";;;;;;;2.83;;0.35;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM399929;MM399929;C#CCNC(=NN=C)OC;WNQBKHILPVUSAH-UHFFFAOYSA-N;139.16;-0.17;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda_N0";;;;;;;1.17;;-1.13;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM399930;MM399930;C=C(C=O)C(=C)C1OC1C;GSJGILWUCMCIGO-UHFFFAOYSA-N;138.17;1.09;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNa_Na";;;;;;;0.87;;-2.22;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM399931;MM399931;CC12CC(CF)C(C1)C2=O;QALJIWNOZIPYBQ-UHFFFAOYSA-N;142.17;1.57;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNa_SC3";;;;;;;2.57;;0.45;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM399932;MM399932;C=CC(=C)C(=C)C1CN1C;HEJWCDOHUSTTQB-UHFFFAOYSA-N;135.21;1.6;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP1_C2";;;;;;;2;;0.34;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM399933;MM399933;COC1CC2(C)CC1C2=O;KQGPSZQVAYSBQP-UHFFFAOYSA-N;140.18;1;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC5_SNa";;;;;;;1.64;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM399934;MM399934;C=C(C#N)C(=O)N1CC1C;VXBJIJZIGNNGIB-UHFFFAOYSA-N;136.15;0.3;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP1_N0";;;;;;;0.34;;-1.53;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM399935;MM399935;COC1CC2(O)CC1C2=O;JOXJRYOMCXCKNB-UHFFFAOYSA-N;142.15;-0.27;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC5_SP1";;;;;;;0.81;;-0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM399936;MM399936;CC=C(C)C(C)C1CC1C;DRJSMTMWTSUWIY-UHFFFAOYSA-N;138.25;3.24;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1_SC5";;;;;;;3.68;;0.46;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM399937;MM399937;C=CC1CC2(O)CC1C2=O;KHUVTZNGVRLMOK-UHFFFAOYSA-N;138.17;0.51;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP1_SC2";;;;;;;2;;0.29;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM399938;MM399938;CC(=CF)C(C)C1CC1C;VTILPKVAIIKWHH-UHFFFAOYSA-N;142.22;3.15;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC5_C2";;;;;;;3.6;;0.34;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM399939;MM399939;N#CC1CC2(F)CC1C2=O;VOKUNOQQAKPIHO-UHFFFAOYSA-N;139.13;0.83;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNa_SC5";;;;;;;1.64;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM399940;MM399940;CC(=NO)C(C)C1CC1C;OWDFQPPIRLKJKV-UHFFFAOYSA-N;141.21;2.13;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC5_Nda";;;;;;;1.64;;0.05;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM399941;MM399941;CCC#CC(=NN)N(C)N;JXTQXRQTEAXBEG-UHFFFAOYSA-N;140.19;-0.52;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_P2";;;;;;;0.54;;-1.09;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM399942;MM399942;C#CCNC(CC#C)=NN;VSQQOZBQIYXKJV-UHFFFAOYSA-N;135.17;-0.5;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_N0";;;;;;;0.34;;-1.53;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM399943;MM399943;C#CC1CC2(C)CC1C2=O;ZBIVLDDJGSKUPA-UHFFFAOYSA-N;134.18;1.23;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNa_SC4";;;;;;;2.2;;0.34;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM399944;MM399944;C=CC(C)=C(C)C1CC1C;QCOODGMLXNXYCN-UHFFFAOYSA-N;136.24;3.16;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC5_C1";;;;;;;3.68;;0.46;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM399945;MM399945;C=CC(=NNCC)C(C)=O;LYNUKMYRIKKBRJ-UHFFFAOYSA-N;140.19;0.73;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nd_Na";;;;;;;0.87;;-1.88;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM399946;MM399946;CC(C=O)=C(C)C1CC1C;PMKLBLONJFWVAM-UHFFFAOYSA-N;138.21;2.18;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC5_Na";;;;;;;1.64;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM399947;MM399947;CCC1=CC2(C)CC1C2=O;ABKIDXHBFZLNOL-UHFFFAOYSA-N;136.19;1.93;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC2_SNa";;;;;;;2.83;;0.35;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM399948;MM399948;C=CC(C)=C(C)C1CN1C;JYGJUOOYUVZBCV-UHFFFAOYSA-N;137.23;1.82;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP1_C1";;;;;;;2.08;;0.51;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM399949;MM399949;C=CC1=CC2(C)CC1C2=O;CIAKTVRQTHMTDI-UHFFFAOYSA-N;134.18;1.71;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNa_SC3";;;;;;;2.57;;0.45;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM399950;MM399950;C#CC(C)=C(C)C1CC1N;WZUPVYQVUCTWJO-UHFFFAOYSA-N;135.21;1.3;;;;;DOPC;MDCG;27;1;"MARTINI bead: C4_SP1";;;;;;;1.37;;-2.53;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM399951;MM399951;CC12C=C(C#N)C(C1)C2=O;AYGLPCNGODTOEY-UHFFFAOYSA-N;133.15;1.05;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNa_SN0";;;;;;;1.17;;-1.18;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM399952;MM399952;C#CCC(=NN)NC=CF;WFFKDWDGCVWSKU-UHFFFAOYSA-N;141.15;0.31;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nd_Nda";;;;;;;0.87;;-1.92;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM399953;MM399953;C=CC1=CC2(O)CC1C2=O;UGYADQWTGYTARK-UHFFFAOYSA-N;136.15;0.43;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP2_SC3";;;;;;;1.46;;-0.15;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM399954;MM399954;CC1CC1C1(C)CN1C=N;DFAQOFLVHQWBMR-UHFFFAOYSA-N;138.21;1.32;;;;;DOPC;MDCG;27;1;"MARTINI bead: SC5_SP1";;;;;;;0.81;;-3.38;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM399955;MM399955;N#CC1=CC2(O)CC1C2=O;RNCLFCFZUQHTCJ-UHFFFAOYSA-N;135.12;-0.23;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP2_SN0";;;;;;;0.06;;-2.21;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM399956;MM399956;C=NN1CC1(C)C1CC1C;NOURRWIAIHHNCR-UHFFFAOYSA-N;138.21;1.33;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC5_SP1";;;;;;;0.81;;-0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM399957;MM399957;C=CC1=CC2(F)CC1C2=O;NCGNNMNBWGMVMF-UHFFFAOYSA-N;138.14;1.41;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNa_SC3";;;;;;;2.57;;0.45;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM399958;MM399958;CC1CC1C1(C)C(C)C1C;DFPSASPIFWYPPT-UHFFFAOYSA-N;138.25;2.93;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC5_SN0";;;;;;;1.94;;0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM399959;MM399959;N#CC1=CC2(F)CC1C2=O;DGMQNVRWQNDQHJ-UHFFFAOYSA-N;137.11;0.75;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNa_SN0";;;;;;;1.17;;-1.18;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM399960;MM399960;CC1C(C)C1(C)C1CC1F;XBNHLKUVOFCMOE-UHFFFAOYSA-N;142.22;2.64;;;;;DOPC;MDCG;27;0;"MARTINI bead: SN0_SNa";;;;;;;1.17;;-1.18;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM399961;MM399961;C#CC1=CC2(C)CC1C2=O;ADHASKPTYXYHRS-UHFFFAOYSA-N;132.16;1.15;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNa_SC5";;;;;;;1.64;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM399962;MM399962;CC1C(C)C1(C)CC1CC1;HYLSHVQLSWVUFD-UHFFFAOYSA-N;138.25;3.08;;;;;DOPC;MDCG;27;0;"MARTINI bead: SN0_SC5";;;;;;;1.94;;0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM399963;MM399963;C#CC1=CC2(O)CC1C2=O;PZUIHXQDFRHRNF-UHFFFAOYSA-N;134.13;-0.12;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP2_SC5";;;;;;;0.54;;-1.09;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM399964;MM399964;CC1C(N)C1(C)CC1CC1;WXSBUBKDJJFODZ-UHFFFAOYSA-N;139.24;1.77;;;;;DOPC;MDCG;27;1;"MARTINI bead: SNd_SC5";;;;;;;1.64;;-2.26;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM399965;MM399965;C#CC1=CC2(F)CC1C2=O;ZRROLPBROYCFDE-UHFFFAOYSA-N;136.13;0.86;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNa_SC5";;;;;;;1.64;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM399966;MM399966;CC1(CC2CC2)C(N)C1N;LLFBMDYNNFJEJP-UHFFFAOYSA-N;140.23;0.46;;;;;DOPC;MDCG;27;1;"MARTINI bead: SP2_SC5";;;;;;;0.54;;-2.89;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM399967;MM399967;CC1C=CC2(N)CC2N1C;JVKKHXZFYNMZSN-UHFFFAOYSA-N;138.21;0.35;;;;;DOPC;MDCG;27;1;"MARTINI bead: SP2_SNd";;;;;;;-0.24;;-4.76;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM399968;MM399968;CC1C(C)C1(N)CC1CC1;HBEVBPCMNUANTH-UHFFFAOYSA-N;139.24;1.77;;;;;DOPC;MDCG;27;1;"MARTINI bead: SNd_SC5";;;;;;;1.64;;-2.84;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM399969;MM399969;CC1C=CC2(O)CC2N1C;RUWJMXMBDMIYGX-UHFFFAOYSA-N;139.2;0.38;;;;;DOPC;MDCG;27;1;"MARTINI bead: SP1_SNd";;;;;;;0.04;;-3.83;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM399970;MM399970;CC1C(N)C1(O)CC1CC1;DJOWDYKXPCEELN-UHFFFAOYSA-N;141.21;0.49;;;;;DOPC;MDCG;27;1;"MARTINI bead: SP2_SC5";;;;;;;0.54;;-3.1;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM399971;MM399971;CN1C(=N)C=CC2(C)CC12;YJUVTOWITVVIDE-UHFFFAOYSA-N;136.2;1.24;;;;;DOPC;MDCG;27;1;"MARTINI bead: SNd_SN0";;;;;;;1.17;;-5.3;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM399972;MM399972;CC1C(C)C1(F)CC1CC1;ZDXWZFCPZQXDMS-UHFFFAOYSA-N;142.22;2.78;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNa_SC5";;;;;;;1.64;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM399973;MM399973;CN1C(=N)C=CC2(F)CC12;OLDXVZNABCWLHQ-UHFFFAOYSA-N;140.16;0.95;;;;;DOPC;MDCG;27;1;"MARTINI bead: SNd_SNa";;;;;;;0.87;;-5.14;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM399974;MM399974;CC1C(C)C1(C)NC1CC1;LIRAJEWUHRJIEC-UHFFFAOYSA-N;139.24;1.78;;;;;DOPC;MDCG;27;1;"MARTINI bead: SNd_SC5";;;;;;;1.64;;-2.68;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM399975;MM399975;C=C1C(N)C=CC2(O)CC12;UDNIYKRLGNBLNX-UHFFFAOYSA-N;137.18;0.19;;;;;DOPC;MDCG;27;1;"MARTINI bead: SNd_SNda";;;;;;;0.87;;-3.55;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM399976;MM399976;CC1C(N)C1(C)NC1CC1;WGSHQXSYRPCWNN-UHFFFAOYSA-N;140.23;0.47;;;;;DOPC;MDCG;27;1;"MARTINI bead: SNd_SP1";;;;;;;0.04;;-4.94;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM399977;MM399977;CC1C=CC2(F)CC2C1=O;QJKXRIKUNBHVBV-UHFFFAOYSA-N;140.16;1.49;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC4_SNa";;;;;;;2.2;;0.34;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM399978;MM399978;CC1(NC2CC2)C(N)C1N;JVQDSTQOLRXLIX-UHFFFAOYSA-N;141.22;-0.83;;;;;DOPC;MDCG;27;1;"MARTINI bead: SP2_SP1";;;;;;;-1.06;;-5.53;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM399979;MM399979;CC1C(N)C(N)C2CC12C;VRTBYXVWMBXOTH-UHFFFAOYSA-N;140.23;0.32;;;;;DOPC;MDCG;27;1;"MARTINI bead: SP1_SC3";;;;;;;1.74;;-1.92;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM399980;MM399980;CC1C(C)C1(C)OC1CC1;IIZZAAVHDBJLOZ-UHFFFAOYSA-N;140.23;2.21;;;;;DOPC;MDCG;27;0;"MARTINI bead: SN0_SP1";;;;;;;0.34;;-1.53;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM399981;MM399981;CC1C(F)C(C)C2(N)CC12;LQWAEAPBBRTUJM-UHFFFAOYSA-N;143.21;1.33;;;;;DOPC;MDCG;27;1;"MARTINI bead: SC4_SNd";;;;;;;2.2;;-2.28;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM399982;MM399982;CC1C(N)C1(C)CC1CN1;FWNOEJZQYWLJLA-UHFFFAOYSA-N;140.23;0.33;;;;;DOPC;MDCG;27;1;"MARTINI bead: SNd_SP1";;;;;;;0.04;;-4.99;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM399983;MM399983;C=C1C(N)C2CC2(C)C1C;SSRMVCCLLMICRQ-UHFFFAOYSA-N;137.23;1.55;;;;;DOPC;MDCG;27;1;"MARTINI bead: SC5_SC4";;;;;;;2.97;;0.16;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM399984;MM399984;CC1(CC2CN2)C(N)C1N;REQCTVFQCDGEBU-UHFFFAOYSA-N;141.22;-0.98;;;;;DOPC;MDCG;27;1;"MARTINI bead: SP2_SP1";;;;;;;-1.06;;-5.66;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM399985;MM399985;C=C1C(N)C2CC2(O)C1C;UNXNRUBYEIRONV-UHFFFAOYSA-N;139.2;0.27;;;;;DOPC;MDCG;27;1;"MARTINI bead: SC5_SNda";;;;;;;1.64;;-2.04;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM399986;MM399986;CC1C(C)C1(N)CC1CN1;HXRSZZPJOSIWKG-UHFFFAOYSA-N;140.23;0.33;;;;;DOPC;MDCG;27;1;"MARTINI bead: SNd_SP2";;;;;;;-0.24;;-5.76;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM399987;MM399987;CN1C(=N)N(C)C2(C)CC12;FWBNPXNQKHOOSG-UHFFFAOYSA-N;139.2;0.33;;;;;DOPC;MDCG;27;1;"MARTINI bead: SP2_SP1";;;;;;;-1.06;;-8.31;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM399988;MM399988;CC1C(N)C1(O)CC1CN1;BRSOBEYFBYGNCE-UHFFFAOYSA-N;142.2;-0.94;;;;;DOPC;MDCG;27;1;"MARTINI bead: SP2_SP1";;;;;;;-1.06;;-5.84;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM399989;MM399989;C=C1C(N)C2NC2(C)C1C;VDTVRUICULBQNO-UHFFFAOYSA-N;138.21;0.25;;;;;DOPC;MDCG;27;1;"MARTINI bead: SC5_SNd";;;;;;;1.64;;-1.59;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM399990;MM399990;CC1C(C)C1(C)CC1CO1;XFTQMVGXUBSNEL-UHFFFAOYSA-N;140.23;2.07;;;;;DOPC;MDCG;27;0;"MARTINI bead: SN0_SNa";;;;;;;1.17;;-1.18;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM399991;MM399991;C=C1C(=C)C2CC2(C)C1N;TZRYCKKHGXCETN-UHFFFAOYSA-N;135.21;1.47;;;;;DOPC;MDCG;27;1;"MARTINI bead: SC5_SNd";;;;;;;1.64;;-2.08;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM399992;MM399992;CC1C(N)C1(C)CC1CO1;FQRXCUXMSXZRBH-UHFFFAOYSA-N;141.21;0.76;;;;;DOPC;MDCG;27;1;"MARTINI bead: SNd_SNa";;;;;;;0.87;;-4.24;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM399993;MM399993;C=C1C(=N)N(C)C2(C)CC12;HQRCCVVJKWUUOW-UHFFFAOYSA-N;136.2;1.24;;;;;DOPC;MDCG;27;1;"MARTINI bead: SNd_SN0";;;;;;;1.17;;-5.18;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM399994;MM399994;CC1C(C)C1(N)CC1CO1;SDFBYXRARPCWRE-UHFFFAOYSA-N;141.21;0.76;;;;;DOPC;MDCG;27;1;"MARTINI bead: SNd_SNa";;;;;;;0.87;;-4.76;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM399995;MM399995;C=C1C(=O)N(C)C2(C)CC12;LXNAHURXHSQQEP-UHFFFAOYSA-N;137.18;0.79;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNda_SN0";;;;;;;1.17;;-1.13;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM399996;MM399996;CC1C(N)C1(C)CN1CC1;IOCHODXHVNUFDD-UHFFFAOYSA-N;140.23;0.29;;;;;DOPC;MDCG;27;1;"MARTINI bead: SNd_SP1";;;;;;;0.04;;-4.66;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM399997;MM399997;CN=c1nc(N)nnn1N;HMUJJNOFEAAHRA-UHFFFAOYSA-N;141.14;-2.5;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP2_SP3";;;;;;;-2.2;;-5.19;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM399998;MM399998;CC1(CN2CC2)C(N)C1N;SJBMVETXOPZHGM-UHFFFAOYSA-N;141.22;-1.02;;;;;DOPC;MDCG;27;1;"MARTINI bead: SP2_SP1";;;;;;;-1.06;;-5.3;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM399999;MM399999;C=C1C(=N)N(N)C2(C)CC12;KCNTXVGVHMOIRR-UHFFFAOYSA-N;137.19;0.49;;;;;DOPC;MDCG;27;1;"MARTINI bead: SC5_SP1";;;;;;;0.81;;-2.83;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM400000;MM400000;CC1C(C)C1(N)CN1CC1;IFIFQLZBFAZDCE-UHFFFAOYSA-N;140.23;0.29;;;;;DOPC;MDCG;27;1;"MARTINI bead: SNd_SP1";;;;;;;0.04;;-4.78;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM400001;MM400001;C=C1C(O)C(C)C2CC12O;WSVFEGIYXRLPQI-UHFFFAOYSA-N;140.18;0.3;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNda_SNda";;;;;;;0.87;;-2.07;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM400002;MM400002;CC1C(N)C1(F)CN1CC1;AENKETBWMGAWGF-UHFFFAOYSA-N;144.19;-0.01;;;;;DOPC;MDCG;27;1;"MARTINI bead: SP1_SP1";;;;;;;-0.79;;-4.14;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM400003;MM400003;CNN=CNC(C#N)CF;IROOLBKIFQCTTI-UHFFFAOYSA-N;144.15;-0.4;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_Na";;;;;;;-0.24;;-3.24;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM400004;MM400004;CC1C2CC(C)(N)C(N)C12;SRHZLEOTFVBTRU-UHFFFAOYSA-N;140.23;0.32;;;;;DOPC;MDCG;27;1;"MARTINI bead: SNd_SNd";;;;;;;0.87;;-4.86;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM400005;MM400005;C=C1C(=O)C(C)C2CC12O;VSWFZLLAPGPBQY-UHFFFAOYSA-N;138.17;0.51;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNda_SNa";;;;;;;0.87;;-1.99;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM400006;MM400006;CC1C2C(N)C2CC1(C)O;PMXRMJXDEYMOGS-UHFFFAOYSA-N;141.21;0.35;;;;;DOPC;MDCG;27;1;"MARTINI bead: SNd_SNda";;;;;;;0.87;;-4.26;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM400007;MM400007;C=C1C(=N)N(C)C2CC12O;AUXCJJGOFRTTFB-UHFFFAOYSA-N;138.17;-0.03;;;;;DOPC;MDCG;27;1;"MARTINI bead: SP2_SNd";;;;;;;-0.24;;-6.36;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM400008;MM400008;CC1C2C(O)C2CC1(C)O;UERCFEGOGPMALY-UHFFFAOYSA-N;142.2;0.38;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNda_SNda";;;;;;;0.87;;-2.07;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM400009;MM400009;C=C1C(C)C(=C)C2(C)CC12;KFJLRUDTEVWXQW-UHFFFAOYSA-N;134.22;2.77;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC3_SC4";;;;;;;3.9;;0.47;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM400010;MM400010;CN1C2C(N)C2CC1(C)C;KYISTMBDDMTNPO-UHFFFAOYSA-N;140.23;0.43;;;;;DOPC;MDCG;27;1;"MARTINI bead: SP2_SN0";;;;;;;0.06;;-4.43;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM400011;MM400011;C=C1C(C)C(=O)C2CC12C;BTPXPZBZIBQGCA-UHFFFAOYSA-N;136.19;1.79;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC4_SNa";;;;;;;2.2;;0.34;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM400012;MM400012;C#CCNC(C=CF)=NN;IAFFLBVFKIVDGU-UHFFFAOYSA-N;141.15;-0.04;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_C5";;;;;;;0.54;;-1.09;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM400013;MM400013;C=C1C(C)C(=C)C2(N)CC12;VRJYTRGFJGJYEN-UHFFFAOYSA-N;135.21;1.47;;;;;DOPC;MDCG;27;1;"MARTINI bead: SC3_SNd";;;;;;;2.57;;-1.04;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM400014;MM400014;CCN(C=NN)C=NC=O;IKRSNLYYHMARQI-UHFFFAOYSA-N;142.16;-0.61;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_P3";;;;;;;-0.33;;-2.01;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM400015;MM400015;C=C1C(N)C(=C)C2(N)CC12;LGQCALVYLXVAAT-UHFFFAOYSA-N;136.2;0.16;;;;;DOPC;MDCG;27;1;"MARTINI bead: SNd_SNd";;;;;;;0.87;;-4.25;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM400016;MM400016;CC1C(C)C1C1CC1(C)C;STIGEYNCJRBAFL-UHFFFAOYSA-N;138.25;2.93;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC5_SC4";;;;;;;2.97;;0.45;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM400017;MM400017;C#CC#CCC(C#N)NC;BZARUSFSFVXVGB-UHFFFAOYSA-N;132.17;0.12;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_N0";;;;;;;0.34;;-1.53;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM400018;MM400018;Cn1cnc(F)cc1=NN;PSOWODLBNXGNHE-UHFFFAOYSA-N;142.14;-0.67;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNa_SP2";;;;;;;-0.24;;-3.24;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM400019;MM400019;C=C1C(C)C(=O)C2CC12O;UNODRNDJKYPNIY-UHFFFAOYSA-N;138.17;0.51;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNa_SNda";;;;;;;0.87;;-1.99;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM400020;MM400020;CC1(C)CC1C1C(N)C1N;SJOYAXQUYHKSNC-UHFFFAOYSA-N;140.23;0.32;;;;;DOPC;MDCG;27;1;"MARTINI bead: SC4_SP3";;;;;;;0.23;;-3.11;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM400021;MM400021;C=C1N(C)C(=N)C2CC12C;MANAEORMHZQURL-UHFFFAOYSA-N;136.2;1.45;;;;;DOPC;MDCG;27;1;"MARTINI bead: SNd_SN0";;;;;;;1.17;;-5.19;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM400022;MM400022;CC1(C)CC1C1C(N)C1O;CNVQKBLLINBMOX-UHFFFAOYSA-N;141.21;0.35;;;;;DOPC;MDCG;27;1;"MARTINI bead: SC4_SP2";;;;;;;1.09;;-2.3;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM400023;MM400023;C=C1N(N)C(=N)C2CC12C;LMHIQXMJIYARNO-UHFFFAOYSA-N;137.19;0.69;;;;;DOPC;MDCG;27;1;"MARTINI bead: SC5_SP1";;;;;;;0.81;;-3.36;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM400024;MM400024;CC1(C)CC1C1C(N)C1F;ODVVRVZLMHXZCV-UHFFFAOYSA-N;143.21;1.33;;;;;DOPC;MDCG;27;1;"MARTINI bead: SC4_SP1";;;;;;;1.37;;-1.24;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM400025;MM400025;C=C1N(O)C(=N)C2CC12C;UGDRNONQNWZDGZ-UHFFFAOYSA-N;138.17;1.21;;;;;DOPC;MDCG;27;1;"MARTINI bead: SC5_SP1";;;;;;;0.81;;-1.94;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM400026;MM400026;CC1(C)CC1C1C(O)C1O;XAZXVCIVSHZHGC-UHFFFAOYSA-N;142.2;0.38;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC4_SP2";;;;;;;1.09;;-0.38;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM400027;MM400027;C=C1N(C)C(=O)C2CC12C;KOGDNZLRTCFLIT-UHFFFAOYSA-N;137.18;1;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNda_SN0";;;;;;;1.17;;-1.13;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM400028;MM400028;CC1C(C)C1C1CC1(C)N;AYAWAJYFARVHRF-UHFFFAOYSA-N;139.24;1.63;;;;;DOPC;MDCG;27;1;"MARTINI bead: SC5_SNd";;;;;;;1.64;;-2.77;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM400029;MM400029;C=C1C2CC2(C)C(=N)N1C;JCKZICZZBGXZMX-UHFFFAOYSA-N;136.2;1.45;;;;;DOPC;MDCG;27;1;"MARTINI bead: SNd_SN0";;;;;;;1.17;;-5.29;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM400030;MM400030;CC1C(O)C1C1CC1(C)N;HIYSSGNBHRFYRQ-UHFFFAOYSA-N;141.21;0.35;;;;;DOPC;MDCG;27;1;"MARTINI bead: SNda_SNd";;;;;;;0.87;;-4.49;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM400031;MM400031;C=C1C2CC2(C)C(=N)N1N;JWZUQHREQNPYNO-UHFFFAOYSA-N;137.19;0.69;;;;;DOPC;MDCG;27;1;"MARTINI bead: SC5_SP1";;;;;;;0.81;;-3.46;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM400032;MM400032;CC1(N)CC1C1C(N)C1O;OMFRAJVHAKNULC-UHFFFAOYSA-N;142.2;-0.96;;;;;DOPC;MDCG;27;1;"MARTINI bead: SNd_SP2";;;;;;;-0.24;;-5.81;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM400033;MM400033;CN1C(=N)C2CC2(C)C1=N;KGJIDDYPYIPGCH-UHFFFAOYSA-N;137.19;0.91;;;;;DOPC;MDCG;27;1;"MARTINI bead: SP1_SN0";;;;;;;0.34;;-3.85;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM400034;MM400034;CC1(N)CC1C1C(N)C1F;NONWKOWHVTWRQK-UHFFFAOYSA-N;144.19;0.02;;;;;DOPC;MDCG;27;1;"MARTINI bead: SNd_SP1";;;;;;;0.04;;-5.5;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM400035;MM400035;C=C1N(C)C(=N)C2CC12N;DSYIGTKOSQDHNV-UHFFFAOYSA-N;137.19;0.14;;;;;DOPC;MDCG;27;1;"MARTINI bead: SNd_SP2";;;;;;;-0.24;;-6.71;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM400036;MM400036;CC1C(O)C1C1CC1(C)O;AJYLQMJXTWOUGH-UHFFFAOYSA-N;142.2;0.38;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNda_SNda";;;;;;;0.87;;-2.07;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM400037;MM400037;C=C1C2CC2(N)C(=N)N1C;UEBUPOOOWUWUCN-UHFFFAOYSA-N;137.19;0.14;;;;;DOPC;MDCG;27;1;"MARTINI bead: SNd_SP2";;;;;;;-0.24;;-6;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM400038;MM400038;CC1(O)CC1C1C(N)C1N;LUYHRUUHKKHLGE-UHFFFAOYSA-N;142.2;-0.96;;;;;DOPC;MDCG;27;1;"MARTINI bead: SNda_SP3";;;;;;;-1.1;;-5.76;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM400039;MM400039;C=C1N(C)C(=N)C2CC12O;RHADIYBCZRRXNB-UHFFFAOYSA-N;138.17;0.17;;;;;DOPC;MDCG;27;1;"MARTINI bead: SNd_SP2";;;;;;;-0.24;;-6.24;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM400040;MM400040;CC1C(N)C1C1CC1(C)F;UJNMQXLXRXSKKA-UHFFFAOYSA-N;143.21;1.33;;;;;DOPC;MDCG;27;1;"MARTINI bead: SNd_SC5";;;;;;;1.64;;-2.56;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM400041;MM400041;C=C1N(N)C(=N)C2CC12O;GYFLYAUSANJWLB-UHFFFAOYSA-N;139.16;-0.58;;;;;DOPC;MDCG;27;1;"MARTINI bead: SP1_SP2";;;;;;;-1.06;;-5.66;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM400042;MM400042;CC1C(O)C1C1CC1(C)F;NIEDPAMTVUSKQE-UHFFFAOYSA-N;144.19;1.36;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNda_SC5";;;;;;;1.64;;0.05;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM400043;MM400043;C=C1C(C)C(=C)C2(C)NC12;KWTVKMUQEOUWQK-UHFFFAOYSA-N;135.21;1.48;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC3_SNd";;;;;;;2.57;;0.55;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM400044;MM400044;CC1C(C)C1C1CC1(F)F;NEGUHQKCPXNGMX-UHFFFAOYSA-N;146.18;2.54;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC5_SN0";;;;;;;1.94;;0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM400045;MM400045;C=C1C(=C)C2CC2(C)C1=C;DEKBHFPEKJHDTF-UHFFFAOYSA-N;132.21;2.69;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC5_SC4";;;;;;;2.97;;0.45;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM400046;MM400046;CC1C(N)C1C1CC1(F)F;VCJDOTGAFXBGSX-UHFFFAOYSA-N;147.17;1.23;;;;;DOPC;MDCG;27;1;"MARTINI bead: SNd_SN0";;;;;;;1.17;;-3.69;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM400047;MM400047;C=C1C(=O)C(=C)C2(C)CC12;QRDPNGWRRPPXFH-UHFFFAOYSA-N;134.18;1.71;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC5_SNa";;;;;;;1.64;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM400048;MM400048;CC1C(O)C1C1CC1(F)F;UGVNHLIODQJWPV-UHFFFAOYSA-N;148.15;1.27;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNda_SN0";;;;;;;1.17;;-1.13;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM400049;MM400049;C=C1C(=C)C2(C)CC2C1=O;XTFBEBLGGYEMIY-UHFFFAOYSA-N;134.18;1.71;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC5_SNa";;;;;;;1.64;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM400050;MM400050;NC1C(O)C1C1CC1(F)F;XVJLYRKNKYTCBD-UHFFFAOYSA-N;149.14;-0.04;;;;;DOPC;MDCG;27;1;"MARTINI bead: SP2_SN0";;;;;;;0.06;;-4.16;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM400051;MM400051;C=C1C(=O)C(=O)C2CC12C;ZAUIVNJYWRARJU-UHFFFAOYSA-N;136.15;0.72;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC5_SNa";;;;;;;1.64;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM400052;MM400052;CC1(C)NC1C1C(N)C1O;DMTYHAQNEFHMRB-UHFFFAOYSA-N;142.2;-0.95;;;;;DOPC;MDCG;27;1;"MARTINI bead: SNd_SP2";;;;;;;-0.24;;-4.78;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM400053;MM400053;C=C1C(=C)C2CC2(C)C1=O;MTDJFXPKRPPQAV-UHFFFAOYSA-N;134.18;1.71;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC5_SNa";;;;;;;1.64;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM400054;MM400054;CC1C(O)C1C1OC1(C)C;CAZVNAKVAYVNSK-UHFFFAOYSA-N;142.2;0.79;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNda_SNa";;;;;;;0.87;;-1.99;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM400055;MM400055;C=C1C(=C)C2CC2(N)C1=C;DAZBDELEQZWAHB-UHFFFAOYSA-N;133.19;1.39;;;;;DOPC;MDCG;27;1;"MARTINI bead: SNd_SC4";;;;;;;2.2;;-1.68;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM400056;MM400056;C#CC(=NN)NNCCF;PLQKFFRCMMWEPU-UHFFFAOYSA-N;144.15;-1.04;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_P2";;;;;;;-1.06;;-3.82;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM400057;MM400057;CC1(C)OC1C1C(N)C1N;JGQHYEGMAMAZCV-UHFFFAOYSA-N;142.2;-0.55;;;;;DOPC;MDCG;27;1;"MARTINI bead: SNa_SP3";;;;;;;-1.1;;-6.21;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM400058;MM400058;C=C1C(=O)C(=C)C2(O)CC12;NHLMVPFTAIJODA-UHFFFAOYSA-N;136.15;0.43;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP1_SNa";;;;;;;0.04;;-2.54;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM400059;MM400059;CC1C(C2CC2(C)N)N1C;CXWRLWUVVHYAJM-UHFFFAOYSA-N;140.23;0.43;;;;;DOPC;MDCG;27;1;"MARTINI bead: SNd_SNd";;;;;;;0.87;;-4.65;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM400060;MM400060;C=C1C(=C)C2(O)CC2C1=O;LGSXMOOVCPHSST-UHFFFAOYSA-N;136.15;0.43;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNda_SNa";;;;;;;0.87;;-1.99;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM400061;MM400061;CC1C(C2CC2(F)F)N1C;ZPKXRFAIOYAHJY-UHFFFAOYSA-N;147.17;1.34;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNd_SN0";;;;;;;1.17;;-1.04;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM400062;MM400062;C=C1C(=C)C2CC2(F)C1=C;TVTUQLAAKNIBGO-UHFFFAOYSA-N;136.17;2.4;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC5_SC4";;;;;;;2.97;;0.45;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM400063;MM400063;CC1C(C2OC2(C)C)N1C;YKMLPZHKYVLZPZ-UHFFFAOYSA-N;141.21;0.87;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNd_SNa";;;;;;;0.87;;-1.88;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM400064;MM400064;C=C1C(=O)C(=C)C2(F)CC12;YSGNQZDIVVFHLK-UHFFFAOYSA-N;138.14;1.41;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNa_SNa";;;;;;;0.87;;-2.22;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM400065;MM400065;CC1C(C)N1C1CC1(C)F;OWONXMUGVBSPLQ-UHFFFAOYSA-N;143.21;1.58;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNd_SC5";;;;;;;1.64;;0.02;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM400066;MM400066;C=C1C(=C)C2(F)CC2C1=O;BWYKRFJTZJAISY-UHFFFAOYSA-N;138.14;1.41;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC5_SNa";;;;;;;1.64;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM400067;MM400067;CC1C(C)N1C1CC1(F)F;PZBMHMYTJHXZFU-UHFFFAOYSA-N;147.17;1.49;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNd_SN0";;;;;;;1.17;;-1.04;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM400068;MM400068;C=C1C(C)=C(C)C2CC12C;NMMOAZUJBRNRNS-UHFFFAOYSA-N;134.22;2.92;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC3_SC4";;;;;;;3.9;;0.47;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM400069;MM400069;CC1(C)CN1C1C(N)C1N;MHOHFHGDUYCYMB-UHFFFAOYSA-N;141.22;-0.88;;;;;DOPC;MDCG;27;1;"MARTINI bead: SP1_SP3";;;;;;;-1.93;;-5.97;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM400070;MM400070;C=C1C(F)=C(C)C2CC12C;UHYFINBTFPYMBX-UHFFFAOYSA-N;138.19;2.83;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC4_SC4";;;;;;;3.53;;0.53;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM400071;MM400071;CCC1(C)CC2C(C)C2C1;WWTNPHIMJHKGPY-UHFFFAOYSA-N;138.25;3.08;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC1_SC5";;;;;;;3.68;;0.46;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM400072;MM400072;C=C1C(F)=C(C)C2CC12N;JXPIVGMULVGDCY-UHFFFAOYSA-N;139.17;1.52;;;;;DOPC;MDCG;27;1;"MARTINI bead: SC4_SNd";;;;;;;2.2;;-1.61;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM400073;MM400073;CC1C2CC(C)(CN)CC12;KXRHCSLDCWKCOF-UHFFFAOYSA-N;139.24;1.63;;;;;DOPC;MDCG;27;1;"MARTINI bead: SC5_SC5";;;;;;;2.41;;-0.22;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM400074;MM400074;CCCC#CC(=NN)NN;YKFKRANOOYJNDX-UHFFFAOYSA-N;140.19;-0.47;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1_P3";;;;;;;0.94;;0.04;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM400075;MM400075;CCC1(N)CC2C(C)C2C1;GFPQALZWYAMMAQ-UHFFFAOYSA-N;139.24;1.77;;;;;DOPC;MDCG;27;1;"MARTINI bead: SC5_SC5";;;;;;;2.41;;-0.99;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM400076;MM400076;C=C1C(F)=C(C)C2CC12O;IHZJUVHPITXCGG-UHFFFAOYSA-N;140.16;1.55;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC4_SNda";;;;;;;2.2;;0.49;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM400077;MM400077;CC1C2CC(N)(CN)CC12;VODMMNQXDAHSBB-UHFFFAOYSA-N;140.23;0.32;;;;;DOPC;MDCG;27;1;"MARTINI bead: SC5_SP1";;;;;;;0.81;;-3.11;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM400078;MM400078;C=C1C(C)=C(C)C2CC12F;PQXJQEGTUROJCZ-UHFFFAOYSA-N;138.19;2.62;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC3_SC5";;;;;;;3.34;;0.48;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM400079;MM400079;CC1C2CC(N)(CO)CC12;FCINDAIOASGGHN-UHFFFAOYSA-N;141.21;0.35;;;;;DOPC;MDCG;27;1;"MARTINI bead: SC5_SNda";;;;;;;1.64;;-2.58;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM400080;MM400080;CC1C(O)C2CC1(O)C2C;ROAPPDPJBCZJRA-UHFFFAOYSA-N;142.2;0.38;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNda_SC5";;;;;;;1.64;;0.05;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM400081;MM400081;CCC(=NN)N(C=N)C=N;OXOITQWBQIXFAX-UHFFFAOYSA-N;141.18;0.18;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_P3";;;;;;;-0.33;;-2.01;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM400082;MM400082;CC1C(=O)C2CC1(C)C2C;MPFURIWJOKLLMS-UHFFFAOYSA-N;138.21;1.87;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC4_SNa";;;;;;;2.2;;0.34;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM400083;MM400083;CC1C2CC(O)(CN)CC12;OVWPUNBHEZPCQE-UHFFFAOYSA-N;141.21;0.35;;;;;DOPC;MDCG;27;1;"MARTINI bead: SC5_SP1";;;;;;;0.81;;-2.72;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM400084;MM400084;C=C1C2CC(N)(C1C)C2C;YFJHLZMQOGTSQK-UHFFFAOYSA-N;137.23;1.55;;;;;DOPC;MDCG;27;1;"MARTINI bead: SNd_SC3";;;;;;;2.57;;-1.83;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM400085;MM400085;CC1C2CC(O)(CO)CC12;RKRSPSYOPNYEHI-UHFFFAOYSA-N;142.2;0.39;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC5_SNda";;;;;;;1.64;;0.05;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM400086;MM400086;C=C1C2CC(F)(C1C)C2C;KVLLNLJOHSWKPP-UHFFFAOYSA-N;140.2;2.56;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC5_SC3";;;;;;;3.34;;0.48;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM400087;MM400087;CCC1(F)CC2C(C)C2C1;SVPUIIVQJSAUPK-UHFFFAOYSA-N;142.22;2.78;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC3_SC5";;;;;;;3.34;;0.48;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM400088;MM400088;C=C1C(=O)C2CC1(C)N2C;KKBSMEXVIOZABE-UHFFFAOYSA-N;137.18;0.59;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNd_SNa";;;;;;;0.87;;-1.88;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM400089;MM400089;CC1C2CC(F)(CN)CC12;XOGZPTHTGRYRNO-UHFFFAOYSA-N;143.21;1.33;;;;;DOPC;MDCG;27;1;"MARTINI bead: SC5_SNda";;;;;;;1.64;;-1.45;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM400090;MM400090;C=C1C(=C)C2(C)CC1C2=O;BSVOTCAMZWRRTP-UHFFFAOYSA-N;134.18;1.71;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNa_SC4";;;;;;;2.2;;0.34;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM400091;MM400091;CCC1(C)CC2C(N)C2C1;RYWNCIDTVRUBPK-UHFFFAOYSA-N;139.24;1.77;;;;;DOPC;MDCG;27;1;"MARTINI bead: SC1_SNd";;;;;;;2.91;;-0.43;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM400092;MM400092;C=C1C(=O)C2CC1(C)C2=O;MEQNEWJTWLJGFI-UHFFFAOYSA-N;136.15;0.72;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNa_SNa";;;;;;;0.87;;-2.22;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM400093;MM400093;CCC1(N)CC2C(N)C2C1;PMXSLWHEQNCGGJ-UHFFFAOYSA-N;140.23;0.46;;;;;DOPC;MDCG;27;1;"MARTINI bead: SC5_SP1";;;;;;;0.81;;-3.86;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM400094;MM400094;CC1=C(C)C2(C)CC1C2=O;OVSVSSXPCOJAOZ-UHFFFAOYSA-N;136.19;1.93;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC3_SNa";;;;;;;2.57;;0.45;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM400095;MM400095;NCC1(N)CC2C(N)C2C1;JWAXTPDVXPDTCS-UHFFFAOYSA-N;141.22;-0.99;;;;;DOPC;MDCG;27;1;"MARTINI bead: SP1_SNd";;;;;;;0.04;;-5.56;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM400096;MM400096;NC1CC(C2(F)CC2)C1F;GLHUYRHINWACHP-UHFFFAOYSA-N;147.17;1.17;;;;;DOPC;MDCG;27;1;"MARTINI bead: SNda_SNa";;;;;;;0.87;;-3.54;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM400097;MM400097;NC1C2CC(N)(CO)CC12;DRRFAMKKPJHZEK-UHFFFAOYSA-N;142.2;-0.96;;;;;DOPC;MDCG;27;1;"MARTINI bead: SNd_SNda";;;;;;;0.87;;-4.89;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM400098;MM400098;CN1C(=N)CCC(=N)N1C;DYYSMVYNCWXXCF-UHFFFAOYSA-N;140.19;0.51;;;;;DOPC;MDCG;27;1;"MARTINI bead: SP2_SP2";;;;;;;-1.34;;-7.13;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM400099;MM400099;NC1C2CC(N)(CF)CC12;FHFXQEKRPXTKQB-UHFFFAOYSA-N;144.19;0.02;;;;;DOPC;MDCG;27;1;"MARTINI bead: SNd_SNda";;;;;;;0.87;;-4.67;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM400100;MM400100;C=C1C(N)CCN(C)C1C;DAZODAXDQXGQBF-UHFFFAOYSA-N;140.23;0.59;;;;;DOPC;MDCG;27;1;"MARTINI bead: SC5_SP2";;;;;;;0.54;;-3.31;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM400101;MM400101;CCC1(O)CC2C(N)C2C1;IXRJWRIESGIFDH-UHFFFAOYSA-N;141.21;0.49;;;;;DOPC;MDCG;27;1;"MARTINI bead: SC5_SNd";;;;;;;1.64;;-2.25;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM400102;MM400102;CC1CCC(C)N(C)C1=N;ZJGLMADAWNJMEB-UHFFFAOYSA-N;140.23;1.71;;;;;DOPC;MDCG;27;1;"MARTINI bead: SN0_SNd";;;;;;;1.17;;-5.99;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM400103;MM400103;NCC1(O)CC2C(N)C2C1;NTPDIPLXOIHMJU-UHFFFAOYSA-N;142.2;-0.96;;;;;DOPC;MDCG;27;1;"MARTINI bead: SP1_SP1";;;;;;;-0.79;;-5.73;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM400104;MM400104;C=CCC#CC(=NN)NN;HQPCRWLZCGJHPP-UHFFFAOYSA-N;138.17;-0.7;;;;;DOPC;MDCG;27;0;"MARTINI bead: P3_C3";;;;;;;0.6;;-0.8;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM400105;MM400105;CCC1(F)CC2C(N)C2C1;PJCYAFSVZPDRKZ-UHFFFAOYSA-N;143.21;1.47;;;;;DOPC;MDCG;27;1;"MARTINI bead: SC3_SNd";;;;;;;2.57;;-1.37;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM400106;MM400106;C=C1CCC(C)C(N)C1=C;NEVKKNKJICNCLI-UHFFFAOYSA-N;137.23;1.86;;;;;DOPC;MDCG;27;1;"MARTINI bead: SC3_SC5";;;;;;;3.34;;0.48;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM400107;MM400107;NC1C2CC(F)(CO)CC12;ZXECQNONKCODTD-UHFFFAOYSA-N;145.18;0.05;;;;;DOPC;MDCG;27;1;"MARTINI bead: SNda_SNd";;;;;;;0.87;;-4.57;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM400108;MM400108;C=C1CCN(C)C(C)C1=C;QENRSCVNZKZEEW-UHFFFAOYSA-N;137.23;1.82;;;;;DOPC;MDCG;27;1;"MARTINI bead: SC5_SN0";;;;;;;1.94;;0.07;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM400109;MM400109;CC1(CN)CC2C(O)C2C1;AVAKFFHWEOOGFK-UHFFFAOYSA-N;141.21;0.35;;;;;DOPC;MDCG;27;1;"MARTINI bead: SC5_SNda";;;;;;;1.64;;-2.38;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM400110;MM400110;C=C1CCC(=C)C(C)C1=C;TTXAQFCPKUALAY-UHFFFAOYSA-N;134.22;3.08;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC2_SC3";;;;;;;4.53;;0.32;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM400111;MM400111;CCC1(N)CC2C(O)C2C1;IKFGIHBUTIDZLR-UHFFFAOYSA-N;141.21;0.49;;;;;DOPC;MDCG;27;1;"MARTINI bead: SC5_SNda";;;;;;;1.64;;-2.88;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM400112;MM400112;Cc1c(O)c(N)n[nH]c1=O;RGCSEOBMFMUFKZ-UHFFFAOYSA-N;141.13;-0.63;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP1_SP3";;;;;;;-1.93;;-4.72;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM400113;MM400113;NC1(CO)CC2C(O)C2C1;GWWDJDMUPFPXNB-UHFFFAOYSA-N;143.19;-0.92;;;;;DOPC;MDCG;27;1;"MARTINI bead: SNda_SNda";;;;;;;0.87;;-4.47;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM400114;MM400114;N#CCc1n[nH]c(=NO)o1;MTVWFSMMJBBMEV-UHFFFAOYSA-N;140.1;-0.64;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP3_SP1";;;;;;;-1.93;;-8.65;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM400115;MM400115;NCC1(O)CC2C(O)C2C1;IYJLWZVMFJTLQI-UHFFFAOYSA-N;143.19;-0.92;;;;;DOPC;MDCG;27;1;"MARTINI bead: SP1_SNda";;;;;;;0.04;;-4.95;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM400116;MM400116;C#CCc1n[nH]c(=NO)o1;YRKROWUCJGWOIZ-UHFFFAOYSA-N;139.11;-0.53;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP3_SNda";;;;;;;-1.1;;-7.97;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM400117;MM400117;CC1(CN)CC2C(F)C2C1;ARILBQIJSSKGRE-UHFFFAOYSA-N;143.21;1.33;;;;;DOPC;MDCG;27;1;"MARTINI bead: SC5_SC5";;;;;;;2.41;;-0.22;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM400118;MM400118;Cn1[nH]nnc(=O)c1=NN;KCWRYJIIDBNCRP-UHFFFAOYSA-N;142.12;-2.72;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP1_SP3";;;;;;;-1.93;;-8.65;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM400119;MM400119;CCC1(N)CC2C(F)C2C1;OXTZMGXLKOFVTJ-UHFFFAOYSA-N;143.21;1.47;;;;;DOPC;MDCG;27;1;"MARTINI bead: SC5_SC5";;;;;;;2.41;;-0.98;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM400120;MM400120;Nc1nnc(N)c(F)c1O;SOZFLQVASUKUTF-UHFFFAOYSA-N;144.11;-0.51;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP2_SP1";;;;;;;-1.06;;-3.82;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM400121;MM400121;NC1(CO)CC2C(F)C2C1;HUCHWYWBODHAHE-UHFFFAOYSA-N;145.18;0.05;;;;;DOPC;MDCG;27;1;"MARTINI bead: SNda_SNa";;;;;;;0.87;;-4.69;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM400122;MM400122;CN=c1ncc(O)no1;UGFXYPCQOKCBGS-UHFFFAOYSA-N;127.1;-0.69;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP3_SP2";;;;;;;-2.2;;-9.15;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM400123;MM400123;CCC1(F)CC2C(F)C2C1;HCYCUKMOMRMPDN-UHFFFAOYSA-N;146.18;2.48;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC3_SC5";;;;;;;3.34;;0.48;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM400124;MM400124;C=C1COC(=C)C(C)C1=C;NRLDCKHIEZFSNN-UHFFFAOYSA-N;136.19;2.28;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC4_SC5";;;;;;;2.97;;0.45;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM400125;MM400125;CNC1(C)CC2C(C)C2C1;AYVYZNWCFBLHHV-UHFFFAOYSA-N;139.24;1.64;;;;;DOPC;MDCG;27;1;"MARTINI bead: SC5_SC5";;;;;;;2.41;;-0.95;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM400126;MM400126;C=Nn1onc(O)c1=N;SRYZTCQTFNLVAS-UHFFFAOYSA-N;128.09;-0.88;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP1_SP3";;;;;;;-1.93;;-8.65;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM400127;MM400127;CNC1(C)CC2C(N)C2C1;BTCVMOSPIBZNPM-UHFFFAOYSA-N;140.23;0.33;;;;;DOPC;MDCG;27;1;"MARTINI bead: SC5_SNd";;;;;;;1.64;;-3.25;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM400128;MM400128;C=C1CCC(=N)N(C)C1=C;VDSISVIIMKFHAJ-UHFFFAOYSA-N;136.2;1.76;;;;;DOPC;MDCG;27;1;"MARTINI bead: SNd_SN0";;;;;;;1.17;;-5.05;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM400129;MM400129;CNC1(C)CC2C(F)C2C1;JEDFTNLPNJTSMW-UHFFFAOYSA-N;143.21;1.34;;;;;DOPC;MDCG;27;1;"MARTINI bead: SC5_SC5";;;;;;;2.41;;-0.94;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM400130;MM400130;C=C1C(=O)CCC(=N)N1C;SJXMOPHUFRPFMQ-UHFFFAOYSA-N;138.17;0.77;;;;;DOPC;MDCG;27;1;"MARTINI bead: SNd_SP2";;;;;;;-0.24;;-5.08;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM400131;MM400131;COC1(C)CC2C(O)C2C1;SZZVWDNLLOETQA-UHFFFAOYSA-N;142.2;0.79;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC5_SNda";;;;;;;1.64;;0.05;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM400132;MM400132;C=C1CCC(=O)N(C)C1=C;OGXQPOKEXVGWGL-UHFFFAOYSA-N;137.18;1.31;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNda_SN0";;;;;;;1.17;;-1.13;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM400133;MM400133;CCC1(C)CC2C(C)C2N1;DZZOUJDJLOZFTI-UHFFFAOYSA-N;139.24;1.78;;;;;DOPC;MDCG;27;1;"MARTINI bead: SC5_SNd";;;;;;;1.64;;-3.85;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM400134;MM400134;C=C1CCC(=C)N(C)C1=N;CYXAPVRNALKOLI-UHFFFAOYSA-N;136.2;1.76;;;;;DOPC;MDCG;27;1;"MARTINI bead: SNd_SN0";;;;;;;1.17;;-5.34;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM400135;MM400135;CCC1(C)CC2C(N)C2N1;DZPYNUXSAHPFRO-UHFFFAOYSA-N;140.23;0.47;;;;;DOPC;MDCG;27;1;"MARTINI bead: SC5_SP2";;;;;;;0.54;;-4.4;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM400136;MM400136;C=C1CCC(=N)N(C)C1=N;WZKHPTSGUCRBDL-UHFFFAOYSA-N;137.19;1.22;;;;;DOPC;MDCG;27;1;"MARTINI bead: SNd_SNd";;;;;;;0.87;;-4.62;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM400137;MM400137;CC1(CO)CC2C(N)C2N1;RTKKZCYCTUWWBV-UHFFFAOYSA-N;142.2;-0.94;;;;;DOPC;MDCG;27;1;"MARTINI bead: SNda_SP2";;;;;;;-0.24;;-5.95;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM400138;MM400138;C=C1CCC(=O)N(C)C1=N;ACFBCKXVGHKYBK-UHFFFAOYSA-N;138.17;0.77;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNda_SNd";;;;;;;0.87;;-1.92;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM400139;MM400139;CC1C2CC(C)(CO)OC12;OVKCAUIOABMPDJ-UHFFFAOYSA-N;142.2;0.79;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNda_SNa";;;;;;;0.87;;-1.99;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM400140;MM400140;C=C1CCC(=N)N(N)C1=C;GNLSAJONQMBZOH-UHFFFAOYSA-N;137.19;1;;;;;DOPC;MDCG;27;1;"MARTINI bead: SP1_SN0";;;;;;;0.34;;-4.41;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM400141;MM400141;CCC1(C)CC2C(N)C2O1;OIOCXXNHLBSPNZ-UHFFFAOYSA-N;141.21;0.9;;;;;DOPC;MDCG;27;1;"MARTINI bead: SC5_SP2";;;;;;;0.54;;-2.95;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM400142;MM400142;C=C1CCC(=O)N(N)C1=C;KJRLFJBTFQBYMB-UHFFFAOYSA-N;138.17;0.55;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP1_SN0";;;;;;;0.34;;-1.53;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM400143;MM400143;CC1(CN)CC2C(O)C2O1;ZBTKDTGXAFGMPO-UHFFFAOYSA-N;143.19;-0.52;;;;;DOPC;MDCG;27;1;"MARTINI bead: SNd_SP1";;;;;;;0.04;;-4.77;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM400144;MM400144;C=C1CCC(=C)N(N)C1=N;JIPIVLLTSLAPRG-UHFFFAOYSA-N;137.19;1;;;;;DOPC;MDCG;27;1;"MARTINI bead: SNd_SN0";;;;;;;1.17;;-4.13;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM400145;MM400145;CCC1(C)CC2C(C1)N2C;GEVAFPVTJASBNJ-UHFFFAOYSA-N;139.24;1.88;;;;;DOPC;MDCG;27;1;"MARTINI bead: SC1_SNd";;;;;;;2.91;;0.41;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM400146;MM400146;C=C1CCC(=N)N(N)C1=N;FZUARZWDDCKPKI-UHFFFAOYSA-N;138.17;0.47;;;;;DOPC;MDCG;27;1;"MARTINI bead: SP1_SNd";;;;;;;0.04;;-4.11;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM400147;MM400147;CN1C2CC(C)(CN)CC21;GNWVJPXQPXKVRV-UHFFFAOYSA-N;140.23;0.43;;;;;DOPC;MDCG;27;1;"MARTINI bead: SNd_SC5";;;;;;;1.64;;-2.44;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM400148;MM400148;Cn1c(=N)[nH]cc(O)c1=O;FZVOYDVZJNTEOT-UHFFFAOYSA-N;141.13;-1.1;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNd_SP3";;;;;;;-1.1;;-3.93;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM400149;MM400149;CN1C2CC(C)(CF)CC21;OFNVWPMZYVGBKK-UHFFFAOYSA-N;143.21;1.44;;;;;DOPC;MDCG;27;1;"MARTINI bead: SP1_SC4";;;;;;;1.37;;-1.3;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM400150;MM400150;N=c1c(N)n[nH]c(=O)n1N;VTAVUHMURBMSKK-UHFFFAOYSA-N;142.12;-2.65;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP3_SP3";;;;;;;-3.07;;-6.15;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM400151;MM400151;CCC1(N)CC2C(C1)N2C;WOKIEHGWNQGEBB-UHFFFAOYSA-N;140.23;0.57;;;;;DOPC;MDCG;27;1;"MARTINI bead: SC5_SP1";;;;;;;0.81;;-3.41;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM400152;MM400152;CCC(=O)C(N)=CC(=O)O;KOCVGRJXFOASGE-UHFFFAOYSA-N;143.14;-0.11;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda_P1";;;;;;;0.04;;-6.91;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM400153;MM400153;CN1C2CC(N)(CN)CC21;RGEQJVSNMATXJD-UHFFFAOYSA-N;141.22;-0.88;;;;;DOPC;MDCG;27;1;"MARTINI bead: SNd_SP1";;;;;;;0.04;;-5.03;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM400154;MM400154;Cc1n[nH]n(C=N)c1=O;PZQNLFLQMFSZKA-UHFFFAOYSA-N;126.12;-0.67;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP1_SP3";;;;;;;-1.93;;-8.65;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM400155;MM400155;CN1C2CC(N)(CO)CC21;QNWQRBALXBPSPG-UHFFFAOYSA-N;142.2;-0.85;;;;;DOPC;MDCG;27;1;"MARTINI bead: SNd_SNda";;;;;;;0.87;;-4.24;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM400156;MM400156;Cn1c(=O)[nH]oc(=O)c1=N;WRRKDYKUAVEWDQ-UHFFFAOYSA-N;143.1;-1.85;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP2_SP3";;;;;;;-2.2;;-5.19;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM400157;MM400157;CN1C2CC(N)(CF)CC21;SNBHCPYLVTUTRU-UHFFFAOYSA-N;144.19;0.13;;;;;DOPC;MDCG;27;1;"MARTINI bead: SNda_SNd";;;;;;;0.87;;-3.67;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM400158;MM400158;Cn1c(=N)[nH]oc(=O)c1=O;WHGCXITWCMQKOA-UHFFFAOYSA-N;143.1;-1.85;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP2_SP3";;;;;;;-2.2;;-5.19;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM400159;MM400159;CN=C(CF)N(C)C=NN;IXCSHZWJAGOQNX-UHFFFAOYSA-N;146.17;-0.18;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_P2";;;;;;;-0.24;;-3.24;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM400160;MM400160;Cn1c(=O)[nH]oc(=O)c1=O;YAYXMMUHLUPNSC-UHFFFAOYSA-N;144.09;-1.97;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP2_SP3";;;;;;;-2.2;;-5.19;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM400161;MM400161;CN1C2CC(O)(CN)CC21;VHDXVUMLGGCHMI-UHFFFAOYSA-N;142.2;-0.85;;;;;DOPC;MDCG;27;1;"MARTINI bead: SNd_SP1";;;;;;;0.04;;-4.86;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM400162;MM400162;N=c1c(=O)o[nH]c(=O)n1N;HCAFNQNWPWBYFC-UHFFFAOYSA-N;144.09;-2.68;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP3_SP3";;;;;;;-3.07;;-6.15;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM400163;MM400163;CNc1ncn(C)c(=O)n1;AXSFTSOJCMPLKR-UHFFFAOYSA-N;140.15;-0.78;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNda_SP3";;;;;;;-1.1;;-3.97;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM400164;MM400164;N=c1[nH]oc(=O)c(=O)n1N;LLXNVTNKGGOBPS-UHFFFAOYSA-N;144.09;-2.68;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP2_SP3";;;;;;;-2.2;;-5.19;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM400165;MM400165;CCC1(F)CC2C(C1)N2C;ZOUALFBMFYQMCD-UHFFFAOYSA-N;143.21;1.58;;;;;DOPC;MDCG;27;1;"MARTINI bead: SC3_SNd";;;;;;;2.57;;;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM400166;MM400166;Nn1c(=O)[nH]oc(=O)c1=O;SWTMAIPFWWCLIA-UHFFFAOYSA-N;145.07;-2.8;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP3_SP3";;;;;;;-3.07;;-6.15;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM400167;MM400167;CN1C2CC(F)(CN)CC21;OFXYFFVIKPPBMK-UHFFFAOYSA-N;144.19;0.13;;;;;DOPC;MDCG;27;1;"MARTINI bead: SNd_SNda";;;;;;;0.87;;-3.64;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM400168;MM400168;N=c1[nH]oc(=O)c(=N)n1O;DRZOERQPUTUMFM-UHFFFAOYSA-N;144.09;-2.03;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP2_SP3";;;;;;;-2.2;;-5.19;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM400169;MM400169;C=COC1=CC(=NN)CC1;NIIWXANIMWMHKI-UHFFFAOYSA-N;138.17;1.14;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNd_SC4";;;;;;;2.2;;0.32;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM400170;MM400170;CCc1nc(=N)onc1O;NPTKHPJXRYNDDS-UHFFFAOYSA-N;141.13;-0.18;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP1_SP3";;;;;;;-1.93;;-8.65;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM400171;MM400171;CNC1(C)CC2C(C1)N2C;YCYXYJOCNXXOFD-UHFFFAOYSA-N;140.23;0.44;;;;;DOPC;MDCG;27;1;"MARTINI bead: SC5_SP1";;;;;;;0.81;;-3.34;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM400172;MM400172;C#CC(O)C(N)=CC(=O)O;CCBHZKKBOIKNOE-UHFFFAOYSA-N;141.13;-1.09;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_P1";;;;;;;-1.06;;-7.97;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM400173;MM400173;COC1(C)CC2C(C1)N2C;LTXDPVICPYDMRT-UHFFFAOYSA-N;141.21;0.87;;;;;DOPC;MDCG;27;1;"MARTINI bead: SC5_SNd";;;;;;;1.64;;-1.17;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM400174;MM400174;CC(C(=O)O)=C(N)CO;JCKPZROZSMFHNJ-UHFFFAOYSA-N;131.13;-0.7;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_P1";;;;;;;-0.79;;-7.34;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM400175;MM400175;CC1C2CC(C)(CN)CN12;HWNDTZXXUCQMGK-UHFFFAOYSA-N;140.23;0.43;;;;;DOPC;MDCG;27;1;"MARTINI bead: SP1_SP1";;;;;;;-0.79;;-5.3;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM400176;MM400176;Cn1c(=N)onc(N)c1=N;RVJXVFRLQVPPGX-UHFFFAOYSA-N;141.13;-1.45;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP2_SP3";;;;;;;-2.2;;-5.19;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM400177;MM400177;C#CC1CN1C(C=C)=NN;XYHARVPMNYUYHA-UHFFFAOYSA-N;135.17;-0.24;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_SP3";;;;;;;-1.93;;-4.72;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM400178;MM400178;O=c1occ(O)oc1=O;UGDSEVIYNBZMSZ-UHFFFAOYSA-N;130.06;-0.7;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP2_SP1";;;;;;;-1.06;;-7.98;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM400179;MM400179;CC1C2CC(C)(CF)CN12;ZWCKJRZTRCDWRP-UHFFFAOYSA-N;143.21;1.44;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP1_SNa";;;;;;;0.04;;-2.54;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM400180;MM400180;C#CC(CC)=NN=CNN;ZIZHLZXOLPLOBM-UHFFFAOYSA-N;138.17;-0.12;;;;;DOPC;MDCG;27;0;"MARTINI bead: P4_C3";;;;;;;0.52;;-1.59;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM400181;MM400181;CCC1(N)CC2C(C)N2C1;XTRXOHPRVYVPIK-UHFFFAOYSA-N;140.23;0.57;;;;;DOPC;MDCG;27;1;"MARTINI bead: SP1_SNd";;;;;;;0.04;;-5.1;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM400182;MM400182;O=CC=C(F)C(O)C(=O)O;VKWLNTPWPGETRY-UHFFFAOYSA-N;148.09;-0.52;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_Na";;;;;;;-0.24;;-7.41;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM400183;MM400183;CC1C2CC(N)(CN)CN12;LYFCCDWAKHVBTN-UHFFFAOYSA-N;141.22;-0.88;;;;;DOPC;MDCG;27;1;"MARTINI bead: SP1_SP3";;;;;;;-1.93;;-6.68;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM400184;MM400184;Cn1c(=N)onc(N)c1=O;GRRWPSDGKMMDNH-UHFFFAOYSA-N;142.12;-1.57;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP2_SP4";;;;;;;-2.29;;-5.95;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM400185;MM400185;CCC#CC1CN1C=NN;FDTKTEMCXDJCRX-UHFFFAOYSA-N;137.19;-0.01;;;;;DOPC;MDCG;27;0;"MARTINI bead: C3_SP2";;;;;;;1.46;;-0.15;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM400186;MM400186;COC(C(N)=O)C(=O)O;QGRGKRGVZVUFIV-UHFFFAOYSA-N;133.1;-1.43;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_P1";;;;;;;-1.06;;-7.98;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM400187;MM400187;CC1C2CC(O)(CN)CN12;APNAYTTZBFCERD-UHFFFAOYSA-N;142.2;-0.85;;;;;DOPC;MDCG;27;1;"MARTINI bead: SP1_SP3";;;;;;;-1.93;;-6.6;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM400188;MM400188;C#CC(CF)=NNC=NN;OHTOIJQHUUSYBV-UHFFFAOYSA-N;142.14;-0.56;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_Nda";;;;;;;0.04;;-2.73;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM400189;MM400189;CC1C2CC(F)(CN)CN12;SZBHYUQNDPGQTM-UHFFFAOYSA-N;144.19;0.13;;;;;DOPC;MDCG;27;1;"MARTINI bead: SP1_SP2";;;;;;;-1.06;;-5.07;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM400190;MM400190;CC(=CN)C(=O)C(=O)O;WTLCFDZLDFCXFK-UHFFFAOYSA-N;129.12;-0.5;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nd_P2";;;;;;;-0.24;;-7.32;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM400191;MM400191;C=CC1(C)CC2C(C)C2C1;HNIQJVKLVZGQEH-UHFFFAOYSA-N;136.24;2.85;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC5_SC1";;;;;;;3.68;;0.46;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM400192;MM400192;N=c1onc(N)c(=N)n1N;JPEZXBSNWINDJD-UHFFFAOYSA-N;142.12;-2.27;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP2_SP3";;;;;;;-2.2;;-5.19;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM400193;MM400193;C=CC1(N)CC2C(C)C2C1;HAKVOTIQYLUXCQ-UHFFFAOYSA-N;137.23;1.55;;;;;DOPC;MDCG;27;1;"MARTINI bead: SNd_SC5";;;;;;;1.64;;-2.64;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM400194;MM400194;O=C(O)Cc1noc(=O)o1;MXHZYOFOADXCDZ-UHFFFAOYSA-N;145.07;-0.75;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_SP2";;;;;;;-1.06;;-7.98;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM400195;MM400195;CC1C2CC(O)(C=O)CC12;JYPRTJUHEBVJLR-UHFFFAOYSA-N;140.18;0.59;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC5_SNda";;;;;;;1.64;;0.05;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM400196;MM400196;O=CC=C1N=C(CF)NN1;ZNZDZYBDXWBFOR-UHFFFAOYSA-N;143.12;-0.5;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP2_SP2";;;;;;;-1.34;;-4.31;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM400197;MM400197;C=CC1(F)CC2C(C)C2C1;NQPFPGAPFJYJJI-UHFFFAOYSA-N;140.2;2.56;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC5_SC4";;;;;;;2.97;;0.45;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM400198;MM400198;N#Cc1nc(F)c(O)o1;HGDUIQBUTQRYJA-UHFFFAOYSA-N;128.06;0.39;;;;;DOPC;MDCG;27;0;"MARTINI bead: SN0_SNda";;;;;;;1.17;;-5.35;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM400199;MM400199;C=CC1(C)CC2C(N)C2C1;BBEMZBHHKVXXCA-UHFFFAOYSA-N;137.23;1.55;;;;;DOPC;MDCG;27;1;"MARTINI bead: SC1_SNd";;;;;;;2.91;;-0.43;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM400200;MM400200;Cn1oc(=N)n(N)c1=NN;JZTBBGVRKDSQEK-UHFFFAOYSA-N;144.14;-2.61;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP2_SP3";;;;;;;-2.2;;-5.19;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM400201;MM400201;C=CC1(F)CC2C(N)C2C1;IIMUOHSPSUIRSW-UHFFFAOYSA-N;141.19;1.25;;;;;DOPC;MDCG;27;1;"MARTINI bead: SNd_SC4";;;;;;;2.2;;-2.07;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM400202;MM400202;C#CC(=O)NC(C)C(=O)O;UGERMGWPWLKZBM-UHFFFAOYSA-N;141.13;-0.79;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_Nda";;;;;;;-0.24;;-7.46;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM400203;MM400203;C=CC1(F)CC2C(O)C2C1;VUNNRMDAFXXKDF-UHFFFAOYSA-N;142.17;1.28;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP1_SC4";;;;;;;1.37;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM400204;MM400204;NN=c1c(F)c(N)on1N;ZEWXZQQZXQUMRO-UHFFFAOYSA-N;147.11;-1.71;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP1_SP1";;;;;;;-0.79;;-3.13;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM400205;MM400205;C=CC1(O)CC2C(F)C2C1;ZUBLJMDCGDRNBR-UHFFFAOYSA-N;142.17;1.28;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC5_SC5";;;;;;;2.41;;0.64;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM400206;MM400206;NC(=O)C#CCC(=O)O;URUKWEFUWGWQRR-UHFFFAOYSA-N;127.1;-1.05;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_P1";;;;;;;-1.06;;-7.98;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM400207;MM400207;C=CC1(F)CC2C(F)C2C1;HDHYSFDEZJYAAG-UHFFFAOYSA-N;144.16;2.26;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNa_SC4";;;;;;;2.2;;0.34;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM400208;MM400208;CC1CCC2(CO)C(C)C12;ZBZQWFWMPQJGJN-UHFFFAOYSA-N;140.23;1.66;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC3_SNda";;;;;;;2.57;;0.44;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM400209;MM400209;C=CC1(C)CC2C(C)C2O1;CNGDQXKIFQPXNS-UHFFFAOYSA-N;138.21;1.99;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC5_SNa";;;;;;;1.64;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM400210;MM400210;N#CC(C#N)C(CO)=NO;RRPBIFMOKVLQNE-UHFFFAOYSA-N;139.11;-0.53;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_P2";;;;;;;-1.34;;-8.48;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM400211;MM400211;C=CC1(C)CC2C(C1)N2C;RSADXDBXFHWIAU-UHFFFAOYSA-N;137.23;1.66;;;;;DOPC;MDCG;27;1;"MARTINI bead: SP1_SC1";;;;;;;2.08;;0.03;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM400212;MM400212;C#CC(=NN(C)C)C(=O)O;HCKYZRXGHQCUTA-UHFFFAOYSA-N;140.14;-0.38;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_Nda";;;;;;;-0.24;;-7.46;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM400213;MM400213;CN1C2CC(C)(C#N)CC21;XXLZBRKJCKTPSB-UHFFFAOYSA-N;136.2;0.99;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNd_SC5";;;;;;;1.64;;0.03;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM400214;MM400214;CC(F)C(=NO)C(O)C=O;YCKDHRRGISRGIX-UHFFFAOYSA-N;149.12;-0.27;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_P3";;;;;;;-0.33;;-5.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM400215;MM400215;C=CC1(N)CC2C(C1)N2C;RXKMGXBBAPEPAA-UHFFFAOYSA-N;138.21;0.35;;;;;DOPC;MDCG;27;1;"MARTINI bead: SP1_SNd";;;;;;;0.04;;-5.02;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM400216;MM400216;CCc1n[nH]n(C=N)c1=O;ZCFYEFPBTZTPEM-UHFFFAOYSA-N;140.15;-0.41;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNda_SP3";;;;;;;-1.1;;-7.98;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM400217;MM400217;C=CC1(F)CC2C(C1)N2C;XSXQTSYZMJBMDC-UHFFFAOYSA-N;141.19;1.36;;;;;DOPC;MDCG;27;1;"MARTINI bead: SNd_SC4";;;;;;;2.2;;-0.63;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM400218;MM400218;N=c1cc(O)oc(C=O)n1;QZLYBCJCANVQBA-UHFFFAOYSA-N;140.1;-0.33;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_SP3";;;;;;;-2.2;;-9.16;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM400219;MM400219;CN1C2CC(F)(C=O)CC21;VSOLMOVHTFJWDP-UHFFFAOYSA-N;143.16;0.37;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNd_SNa";;;;;;;0.87;;-1.88;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM400220;MM400220;N=C(NO)ON=CC(=O)O;IFBKYQYNSGHSFR-UHFFFAOYSA-N;147.09;-1.01;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_P1";;;;;;;-1.06;;-7.98;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM400221;MM400221;CN1C2CC(F)(C#N)CC21;NCFBRHBVXZZWRL-UHFFFAOYSA-N;140.16;0.69;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP1_SNa";;;;;;;0.04;;-2.54;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM400222;MM400222;C#CC(N)=C(CC)C(=O)O;ZGNPTNIIEJACJO-UHFFFAOYSA-N;139.15;0.33;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_C5";;;;;;;0.81;;-4.68;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM400223;MM400223;C=CC#CC1CN1C=NN;DJVCCASVCQWXBV-UHFFFAOYSA-N;135.17;-0.24;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP2_C4";;;;;;;1.09;;-0.37;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM400224;MM400224;C=C1C(=C)C(C)CCC1C;MQZBVHOSCKLCIT-UHFFFAOYSA-N;136.24;3.16;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC2_SC2";;;;;;;4.78;;0.59;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM400225;MM400225;C#CC#CC1CN1C=NN;CBRAKARLIQQPKH-UHFFFAOYSA-N;133.15;-0.79;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP2_C4";;;;;;;1.09;;-0.37;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM400226;MM400226;C=C1C(=C)C(N)CCC1C;OUIGLWNJEBMVCB-UHFFFAOYSA-N;137.23;1.86;;;;;DOPC;MDCG;27;1;"MARTINI bead: SNd_SC1";;;;;;;2.91;;-0.26;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM400227;MM400227;CC1C2CC(F)(C=O)CN12;WWUVOYQPLGETPI-UHFFFAOYSA-N;143.16;0.37;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP1_SP1";;;;;;;-0.79;;-3.13;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM400228;MM400228;C=C1C(=C)C(O)CCC1N;OAZKXFUOFGHCRA-UHFFFAOYSA-N;139.2;0.58;;;;;DOPC;MDCG;27;1;"MARTINI bead: SC5_SC5";;;;;;;2.41;;0.08;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM400229;MM400229;C#CC1(C)CC2C(C)C2C1;RUOCXODUGFQNLJ-UHFFFAOYSA-N;134.22;2.3;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC3_SC5";;;;;;;3.34;;0.48;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM400230;MM400230;C=C1C(=C)C(C)NCC1O;XNQOGLNUGJMXCB-UHFFFAOYSA-N;139.2;0.45;;;;;DOPC;MDCG;27;1;"MARTINI bead: SNd_SP2";;;;;;;-0.24;;-4.22;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM400231;MM400231;C#CC1(F)CC2C(C)C2C1;MCDWOFFDHFCFLH-UHFFFAOYSA-N;138.19;2;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC5_SC5";;;;;;;2.41;;0.64;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM400232;MM400232;C=C1C(=C)C(C)OCC1C;SAWJCFMWKMBECU-UHFFFAOYSA-N;138.21;2.15;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC5_SC5";;;;;;;2.41;;0.64;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM400233;MM400233;C#CC1(C)CC2C(N)C2C1;NEUBOGRVWQZXBP-UHFFFAOYSA-N;135.21;0.99;;;;;DOPC;MDCG;27;1;"MARTINI bead: SC3_SNd";;;;;;;2.57;;-1.38;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM400234;MM400234;C=C1C(=N)N(C)CCC1C;FZXKWPJGERKRPX-UHFFFAOYSA-N;138.21;1.49;;;;;DOPC;MDCG;27;1;"MARTINI bead: SNd_SN0";;;;;;;1.17;;-5.89;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM400235;MM400235;C#CC1(C)CC2C(F)C2C1;QHPGFRPBZYXMGA-UHFFFAOYSA-N;138.19;2;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC3_SC5";;;;;;;3.34;;0.48;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM400236;MM400236;CN=C(NO)OCC(=O)O;XVUZEKXEPBIGQP-UHFFFAOYSA-N;148.12;-0.95;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_P1";;;;;;;-1.06;;-7.98;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM400237;MM400237;CC1C(C)C1(C)C1(C)CC1;IFQUUZSEBNSHLN-UHFFFAOYSA-N;138.25;3.08;;;;;DOPC;MDCG;27;0;"MARTINI bead: SN0_SC5";;;;;;;1.94;;0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM400238;MM400238;O=CNC(=O)OCC(=O)O;SFYSYOYWULYDEO-UHFFFAOYSA-N;147.09;-1.05;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_P2";;;;;;;-1.06;;-7.99;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM400239;MM400239;CC1C(C)C1CC1(C)CC1;SDSUOICFYCIFPA-UHFFFAOYSA-N;138.25;3.08;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC5_SC4";;;;;;;2.97;;0.45;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM400240;MM400240;C=C1CCN(C)C(=N)C1=C;LDACXRUBWRMCOE-UHFFFAOYSA-N;136.2;1.41;;;;;DOPC;MDCG;27;1;"MARTINI bead: SNd_SN0";;;;;;;1.17;;-5.37;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM400241;MM400241;CC1C(N)C1CC1(C)CC1;HAJVMIXUPNJQEG-UHFFFAOYSA-N;139.24;1.77;;;;;DOPC;MDCG;27;1;"MARTINI bead: SNd_SC4";;;;;;;2.2;;-2.09;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM400242;MM400242;NC(=O)C(=O)OCC(=O)O;YNMNDPMIACDDBJ-UHFFFAOYSA-N;147.09;-1.9;;;;;DOPC;MDCG;27;0;"MARTINI bead: P3_P1";;;;;;;-1.93;;-8.66;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM400243;MM400243;CC1C(C)C1NN=CC=O;NFVKPFODVYOMNF-UHFFFAOYSA-N;140.19;0.42;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC5_P1";;;;;;;0.81;;-0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM400244;MM400244;O=C(O)COC(=O)NO;PYTDYXJPVQYHHC-UHFFFAOYSA-N;135.08;-0.81;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_P1";;;;;;;-1.06;;-7.99;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM400245;MM400245;CC1(CC2C(N)C2F)CC1;CRPPJLNHFYZSPD-UHFFFAOYSA-N;143.21;1.47;;;;;DOPC;MDCG;27;1;"MARTINI bead: SC5_SP1";;;;;;;0.81;;-1.79;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM400246;MM400246;C#CC(O)(COC)C(=O)O;XFTAMFKLFCZFSF-UHFFFAOYSA-N;144.13;-0.92;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_P2";;;;;;;-1.06;;-7.99;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM400247;MM400247;CC1C(C)C1CC1(N)CC1;RZHHWYYPHACTNO-UHFFFAOYSA-N;139.24;1.77;;;;;DOPC;MDCG;27;1;"MARTINI bead: SC5_SNd";;;;;;;1.64;;-2.78;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM400248;MM400248;C#CC(CO)(OC)C(=O)O;ZBAPCIBIDHWIJC-UHFFFAOYSA-N;144.13;-0.92;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_P1";;;;;;;-1.06;;-7.99;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM400249;MM400249;CC1C(O)C1CC1(N)CC1;ILZMPTRWVPQOSA-UHFFFAOYSA-N;141.21;0.49;;;;;DOPC;MDCG;27;1;"MARTINI bead: SNda_SNd";;;;;;;0.87;;-4.5;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM400250;MM400250;C#CC1(CO)OC1C(=O)O;RMIJOMOCCQOTMK-UHFFFAOYSA-N;142.11;-1.17;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP2_P1";;;;;;;-1.06;;-7.99;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM400251;MM400251;NC1C(O)C1CC1(N)CC1;NAMGBWOPYUFBEM-UHFFFAOYSA-N;142.2;-0.81;;;;;DOPC;MDCG;27;1;"MARTINI bead: SP2_SP1";;;;;;;-1.06;;-6.48;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM400252;MM400252;COCC(O)C(C#N)=NO;UIUMINFVFKSAIK-UHFFFAOYSA-N;144.13;-0.65;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_P2";;;;;;;-1.34;;-8.49;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM400253;MM400253;C=NNC=CN=NCCF;HMLVRXFDSXURGX-UHFFFAOYSA-N;144.15;1.08;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_P1";;;;;;;0.81;;-0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM400254;MM400254;Cn1occ(O)c(=O)c1=N;JDFKHHVIYHBBKR-UHFFFAOYSA-N;142.11;-0.84;;;;;DOPC;MDCG;27;0;"MARTINI bead: SN0_SP2";;;;;;;0.06;;-2.21;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM400255;MM400255;CC1C(N)C1CC1(O)CC1;PWVVDEOINMNXCN-UHFFFAOYSA-N;141.21;0.49;;;;;DOPC;MDCG;27;1;"MARTINI bead: SNd_SNda";;;;;;;0.87;;-4.28;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM400256;MM400256;C=C1CCC(=C)C(=C)C1=C;OGEIPYIMMYZPBU-UHFFFAOYSA-N;132.21;3.01;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC3_SC3";;;;;;;4.27;;0.2;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM400257;MM400257;CC1C(F)C1CC1(O)CC1;WWSICAOYHAEQFD-UHFFFAOYSA-N;144.19;1.51;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNa_SNda";;;;;;;0.87;;-1.99;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM400258;MM400258;C=C1CCC(=O)C(=C)C1=C;WDTMWSKFDGZGNA-UHFFFAOYSA-N;134.18;2.02;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNa_SC3";;;;;;;2.57;;0.45;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM400259;MM400259;NC1C(O)C1CC1(O)CC1;JNHAIICEHXMXOI-UHFFFAOYSA-N;143.19;-0.78;;;;;DOPC;MDCG;27;1;"MARTINI bead: SP2_SP1";;;;;;;-1.06;;-5.5;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM400260;MM400260;C=C1C(=C)C(=O)CCC1=O;MCPVQCGBGHHOFJ-UHFFFAOYSA-N;136.15;1.03;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNa_SNa";;;;;;;0.87;;-2.22;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM400261;MM400261;OC1C(O)C1CC1(O)CC1;KLFOOAVDSAQUGH-UHFFFAOYSA-N;144.17;-0.75;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP2_SNda";;;;;;;-0.24;;-3.31;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM400262;MM400262;C=C1CCC(=C)C(=O)C1=C;DDCPAXGQWAVIAF-UHFFFAOYSA-N;134.18;2.02;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNa_SC3";;;;;;;2.57;;0.45;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM400263;MM400263;CC1C(C)C1CC1(F)CC1;NSMWRPPTMDUVOD-UHFFFAOYSA-N;142.22;2.78;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC5_SC5";;;;;;;2.41;;0.64;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM400264;MM400264;C=C1CCC(=O)C(=C)C1=O;VKLLBTCUHRTAHY-UHFFFAOYSA-N;136.15;1.03;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNa_SNa";;;;;;;0.87;;-2.22;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM400265;MM400265;CC1C(N)C1CC1(F)CC1;GRGCRNWVNCINAZ-UHFFFAOYSA-N;143.21;1.47;;;;;DOPC;MDCG;27;1;"MARTINI bead: SNd_SNa";;;;;;;0.87;;-4.55;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM400266;MM400266;C=c1c(=N)[nH][nH]c(=N)c1=C;RWURAOIMFYRNIJ-UHFFFAOYSA-N;136.16;-1.88;;;;;DOPC;MDCG;27;1;"MARTINI bead: SP2_SP2";;;;;;;-1.34;;-8.19;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM400267;MM400267;CC1C(O)C1CC1(F)CC1;BWKOKSVWFFQSBV-UHFFFAOYSA-N;144.19;1.51;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNda_SC5";;;;;;;1.64;;0.05;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM400268;MM400268;C=Cc1n[nH]c(=NO)o1;ZTGNVJWERJTLFS-UHFFFAOYSA-N;127.1;-0.06;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP3_SP1";;;;;;;-1.93;;-8.66;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM400269;MM400269;NC1C(O)C1CC1(F)CC1;PYMAYAWESFCVFY-UHFFFAOYSA-N;145.18;0.2;;;;;DOPC;MDCG;27;1;"MARTINI bead: SP2_SC5";;;;;;;0.54;;-3.05;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM400270;MM400270;C=c1c(=O)[nH]oc(=O)c1=C;QNAWVDVKYYJYGI-UHFFFAOYSA-N;139.11;-1.85;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP1_SP1";;;;;;;-0.79;;-3.13;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM400271;MM400271;OC1C(O)C1CC1(F)CC1;IQZIKARZABFFDD-UHFFFAOYSA-N;146.16;0.23;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP2_SC5";;;;;;;0.54;;-1.09;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM400272;MM400272;C=C1C=CC(=N)N(C)C1C;PYCJLCJLNHFNNA-UHFFFAOYSA-N;136.2;1.41;;;;;DOPC;MDCG;27;1;"MARTINI bead: SNd_SN0";;;;;;;1.17;;-4.76;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM400273;MM400273;OC1C(F)C1CC1(F)CC1;NJSZFDXTKQJBNV-UHFFFAOYSA-N;148.15;1.21;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP1_SC5";;;;;;;0.81;;-0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM400274;MM400274;Cc1c(O)ccc(=N)n1C;ANHIXNHYJMIVAD-UHFFFAOYSA-N;138.17;0.52;;;;;DOPC;MDCG;27;1;"MARTINI bead: SNda_SNd";;;;;;;0.87;;-6.67;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM400275;MM400275;CC1C(C)C1NC1(C)CC1;NWWYQVFBOBZSPJ-UHFFFAOYSA-N;139.24;1.78;;;;;DOPC;MDCG;27;1;"MARTINI bead: SNd_SC5";;;;;;;1.64;;-2.67;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM400276;MM400276;Cn1c(=N)ccc(=N)n1C;OWIWFYAEWHHLSE-UHFFFAOYSA-N;138.17;-0.68;;;;;DOPC;MDCG;27;1;"MARTINI bead: SP2_SP2";;;;;;;-1.34;;-8.42;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM400277;MM400277;CC1C(O)C1NC1(C)CC1;ZUGLFIQWWBYBRD-UHFFFAOYSA-N;141.21;0.51;;;;;DOPC;MDCG;27;1;"MARTINI bead: SP2_SC5";;;;;;;0.54;;-3.01;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM400278;MM400278;Cn1c(=N)ccc(=O)n1C;MXEXZFKICAMSSF-UHFFFAOYSA-N;139.16;-0.8;;;;;DOPC;MDCG;27;1;"MARTINI bead: SP2_SP2";;;;;;;-1.34;;-7.59;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM400279;MM400279;CC1(NC2C(N)C2O)CC1;IFWZGLMBTVNXCJ-UHFFFAOYSA-N;142.2;-0.8;;;;;DOPC;MDCG;27;1;"MARTINI bead: SC5_SP3";;;;;;;-0.33;;-3.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM400280;MM400280;Cn1c(=O)ccc(=O)n1C;HXRNCEZWRFLKJN-UHFFFAOYSA-N;140.14;-0.92;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP2_SP2";;;;;;;-1.34;;-4.31;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM400281;MM400281;CC1C(C)C1OC1(C)CC1;GOLQEPNZXDFJJE-UHFFFAOYSA-N;140.23;2.21;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC5_SNa";;;;;;;1.64;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM400282;MM400282;Cn1c(=N)ccc(=N)n1N;LLDHUQVYTBAFOU-UHFFFAOYSA-N;139.16;-1.5;;;;;DOPC;MDCG;27;1;"MARTINI bead: SP2_SP2";;;;;;;-1.34;;-7.91;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM400283;MM400283;CC1C(O)C1OC1(C)CC1;ARCCKDLODXGNKY-UHFFFAOYSA-N;142.2;0.93;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP2_SC5";;;;;;;0.54;;-1.09;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM400284;MM400284;Cn1c(=N)ccc(=O)n1N;XUMGJHHRPLAVPX-UHFFFAOYSA-N;140.15;-1.62;;;;;DOPC;MDCG;27;1;"MARTINI bead: SP2_SP2";;;;;;;-1.34;;-7.31;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM400285;MM400285;CC1(OC2C(N)C2N)CC1;DYVBQDUOBABNFO-UHFFFAOYSA-N;142.2;-0.41;;;;;DOPC;MDCG;27;1;"MARTINI bead: SC5_SP3";;;;;;;-0.33;;-3.32;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM400286;MM400286;Cn1c(=O)ccc(=N)n1N;MFHCHJPQDDQSLQ-UHFFFAOYSA-N;140.15;-1.62;;;;;DOPC;MDCG;27;1;"MARTINI bead: SP2_SP2";;;;;;;-1.34;;-5.67;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM400287;MM400287;CC1(OC2C(N)C2O)CC1;OKWQAHYPQVNERL-UHFFFAOYSA-N;143.19;-0.37;;;;;DOPC;MDCG;27;1;"MARTINI bead: SC5_SP3";;;;;;;-0.33;;-3.19;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM400288;MM400288;Cn1c(=O)ccc(=O)n1N;UIHZXOSMKUCPND-UHFFFAOYSA-N;141.13;-1.74;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP2_SP2";;;;;;;-1.34;;-4.31;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM400289;MM400289;CC1C(C)C1CC1(C)CO1;KQHPDLYIIRBGMN-UHFFFAOYSA-N;140.23;2.07;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC5_SNa";;;;;;;1.64;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM400290;MM400290;Cn1c(=N)ccc(=N)n1O;WXQLGXGNNRLENE-UHFFFAOYSA-N;140.15;-0.98;;;;;DOPC;MDCG;27;1;"MARTINI bead: SP2_SP2";;;;;;;-1.34;;-6.88;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM400291;MM400291;CC1C(O)C1CC1(C)CO1;MULQYARATTVQCB-UHFFFAOYSA-N;142.2;0.79;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNda_SNa";;;;;;;0.87;;-1.99;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM400292;MM400292;Cn1c(=O)ccc(=N)n1O;BXVXRTNKTISSKP-UHFFFAOYSA-N;141.13;-1.1;;;;;DOPC;MDCG;27;1;"MARTINI bead: SP2_SP2";;;;;;;-1.34;;-5.81;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM400293;MM400293;CC1(CC2C(N)C2N)CO1;UHVFFYLEBZIHLP-UHFFFAOYSA-N;142.2;-0.55;;;;;DOPC;MDCG;27;1;"MARTINI bead: SNa_SP2";;;;;;;-0.24;;-5.35;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM400294;MM400294;N=c1ccc(=N)n(N)n1N;JOEDSGXVCGKFOU-UHFFFAOYSA-N;140.15;-2.32;;;;;DOPC;MDCG;27;1;"MARTINI bead: SP2_SP2";;;;;;;-1.34;;-6.43;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM400295;MM400295;CC1(CC2C(N)C2O)CO1;BBTAPSBXEXSZPH-UHFFFAOYSA-N;143.19;-0.52;;;;;DOPC;MDCG;27;1;"MARTINI bead: SNa_SP2";;;;;;;-0.24;;-5.21;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM400296;MM400296;N=c1ccc(=O)n(N)n1N;DHPICCUTAINLRA-UHFFFAOYSA-N;141.13;-2.44;;;;;DOPC;MDCG;27;1;"MARTINI bead: SP2_SP2";;;;;;;-1.34;;-5.53;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM400297;MM400297;CC1(CC2C(N)C2F)CO1;PVMPOMAZFGTVGP-UHFFFAOYSA-N;145.18;0.46;;;;;DOPC;MDCG;27;1;"MARTINI bead: SNa_SP1";;;;;;;0.04;;-3.82;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM400298;MM400298;Nn1c(=O)ccc(=O)n1N;PJSQSVWTWHAENH-UHFFFAOYSA-N;142.12;-2.56;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP2_SP2";;;;;;;-1.34;;-4.31;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM400299;MM400299;CC1C(CC2(N)CC2)N1C;IBPCGMSXKJTRMA-UHFFFAOYSA-N;140.23;0.57;;;;;DOPC;MDCG;27;1;"MARTINI bead: SNd_SNd";;;;;;;0.87;;-4.66;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM400300;MM400300;N=c1ccc(=N)n(O)n1N;DIMYGOORMRVQJP-UHFFFAOYSA-N;141.13;-1.8;;;;;DOPC;MDCG;27;1;"MARTINI bead: SP2_SP2";;;;;;;-1.34;;-6.3;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM400301;MM400301;CC1C(C)N1CC1(N)CC1;HPVVGUGQYQYFPO-UHFFFAOYSA-N;140.23;0.57;;;;;DOPC;MDCG;27;1;"MARTINI bead: SNd_SP1";;;;;;;0.04;;-4.7;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM400302;MM400302;N=c1ccc(=O)n(N)n1O;UWEQACPNHBTFEE-UHFFFAOYSA-N;142.12;-1.92;;;;;DOPC;MDCG;27;1;"MARTINI bead: SP2_SP2";;;;;;;-1.34;;-5.68;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM400303;MM400303;CC1C(C)N1CC1(F)CC1;ZCXFKXOYXDZTNL-UHFFFAOYSA-N;143.21;1.58;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNd_SNa";;;;;;;0.87;;-1.88;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM400304;MM400304;N=c1ccc(=N)n(O)n1O;MKSYSBKKUHVQBT-UHFFFAOYSA-N;142.12;-1.28;;;;;DOPC;MDCG;27;1;"MARTINI bead: SP2_SP2";;;;;;;-1.34;;-5.43;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM400305;MM400305;CC1C(C)N1CC1(C)CO1;WKPSHSGBSFGKTR-UHFFFAOYSA-N;141.21;0.87;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNd_SNa";;;;;;;0.87;;-1.88;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM400306;MM400306;NN=C(CC(=O)O)C(=O)O;BANCLBJVUOXUFR-UHFFFAOYSA-N;146.1;-1.14;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_P1";;;;;;;-1.06;;-7.99;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM400307;MM400307;CC1C2CC1(F)C1CC21C;NXUISXNIFKMHKM-UHFFFAOYSA-N;140.2;2.39;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC4_SC4";;;;;;;3.53;;0.53;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM400308;MM400308;Cn1c(=N)cnc(=N)n1C;FWNHZNUTGLCSEA-UHFFFAOYSA-N;139.16;-1.28;;;;;DOPC;MDCG;27;1;"MARTINI bead: SP3_SP3";;;;;;;-3.07;;-9.74;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM400309;MM400309;CC1C2CC1(N)C1CC21N;WBAQMLXVGRFDSA-UHFFFAOYSA-N;138.21;0.07;;;;;DOPC;MDCG;27;1;"MARTINI bead: SNd_SNd";;;;;;;0.87;;-5.13;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM400310;MM400310;Cn1c(=O)cnc(=N)n1C;MXKCLYUKODXTPA-UHFFFAOYSA-N;140.15;-1.4;;;;;DOPC;MDCG;27;1;"MARTINI bead: SP3_SP3";;;;;;;-3.07;;-8.32;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM400311;MM400311;CC1C2CC1(F)C1CC21N;ODSDZSQLOLXADR-UHFFFAOYSA-N;141.19;1.08;;;;;DOPC;MDCG;27;1;"MARTINI bead: SC4_SNd";;;;;;;2.2;;-2.26;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM400312;MM400312;Cn1c(=O)cnc(=O)n1C;BKHNRACZFJTOCD-UHFFFAOYSA-N;141.13;-1.52;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP2_SP3";;;;;;;-2.2;;-5.19;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM400313;MM400313;CC1C2CC1(N)C1CC21O;JEQKCJQXZBMWIP-UHFFFAOYSA-N;139.2;0.1;;;;;DOPC;MDCG;27;1;"MARTINI bead: SNd_SNda";;;;;;;0.87;;-4.71;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM400314;MM400314;Cn1c(=N)cnc(=N)n1N;OFEBAQPDYSASTR-UHFFFAOYSA-N;140.15;-2.11;;;;;DOPC;MDCG;27;1;"MARTINI bead: SP3_SP3";;;;;;;-3.07;;-8.22;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM400315;MM400315;CCC12CC1C1CC1(C)C2;GQIPHBCLKQOUPV-UHFFFAOYSA-N;136.24;2.83;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC3_SC4";;;;;;;3.9;;0.47;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM400316;MM400316;Cn1c(=O)cnc(=O)n1N;CZCZPRWLNJORCK-UHFFFAOYSA-N;142.12;-2.34;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP3_SP3";;;;;;;-3.07;;-6.15;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM400317;MM400317;CCC12CC1C1CC1(N)C2;SFZOXIXQRPWTSP-UHFFFAOYSA-N;137.23;1.52;;;;;DOPC;MDCG;27;1;"MARTINI bead: SC3_SP1";;;;;;;1.74;;-2.19;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM400318;MM400318;Cn1c(=N)cnc(=N)n1O;JWITXRIMUFCVJN-UHFFFAOYSA-N;141.13;-1.58;;;;;DOPC;MDCG;27;1;"MARTINI bead: SP3_SP3";;;;;;;-3.07;;-8.31;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM400319;MM400319;CNC12CC1C1CC1(N)C2;FHOJNHRUPAGDST-UHFFFAOYSA-N;138.21;0.09;;;;;DOPC;MDCG;27;1;"MARTINI bead: SNd_SNd";;;;;;;0.87;;-4.94;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM400320;MM400320;CC(F)(C=O)C(CO)=NO;IDRVPLOOPKNJGI-UHFFFAOYSA-N;149.12;-0.26;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_P2";;;;;;;-1.06;;-7.99;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM400321;MM400321;CNC12CC1C1CC1(O)C2;OAUGOADGOJUMBC-UHFFFAOYSA-N;139.2;0.12;;;;;DOPC;MDCG;27;1;"MARTINI bead: SNd_SNda";;;;;;;0.87;;-4.25;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM400322;MM400322;Cn1c(=N)ncc(=N)n1N;GOTISLZDVUNPRD-UHFFFAOYSA-N;140.15;-2.11;;;;;DOPC;MDCG;27;1;"MARTINI bead: SP3_SP3";;;;;;;-3.07;;-9.42;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM400323;MM400323;CCC12CC1C1CC1(C)N2;OSQLYSTVOLICPK-UHFFFAOYSA-N;137.23;1.54;;;;;DOPC;MDCG;27;1;"MARTINI bead: SNd_SC5";;;;;;;1.64;;-3.42;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM400324;MM400324;Cn1c(=O)ncc(=N)n1N;MIJKVOQBIYVVEO-UHFFFAOYSA-N;141.13;-2.22;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP3_SP2";;;;;;;-2.2;;-5.19;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM400325;MM400325;CC12CC3(CO)CC3C1O2;CPNOJMAUERYIRE-UHFFFAOYSA-N;140.18;0.55;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNa_SNda";;;;;;;0.87;;-1.99;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM400326;MM400326;Cn1c(=N)ncc(=O)n1N;LIAAHHOVNAPODZ-UHFFFAOYSA-N;141.13;-2.22;;;;;DOPC;MDCG;27;1;"MARTINI bead: SP3_SP3";;;;;;;-3.07;;-7.91;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM400327;MM400327;CNC12CC1C1OC1(C)C2;HCTAQLOMVMIEOJ-UHFFFAOYSA-N;139.2;0.53;;;;;DOPC;MDCG;27;1;"MARTINI bead: SNd_SNa";;;;;;;0.87;;-4.42;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM400328;MM400328;Cn1c(=O)ncc(=O)n1N;FPXSDSHTXOFUBI-UHFFFAOYSA-N;142.12;-2.34;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP3_SP2";;;;;;;-2.2;;-5.19;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM400329;MM400329;CC12CC1C1NC1(CN)C2;UOLFMZRNTQGZSK-UHFFFAOYSA-N;138.21;0.09;;;;;DOPC;MDCG;27;1;"MARTINI bead: SC5_SP2";;;;;;;0.54;;-3.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM400330;MM400330;N=c1cnc(=N)n(N)n1N;PGIKSUSAOCSGFT-UHFFFAOYSA-N;141.14;-2.93;;;;;DOPC;MDCG;27;1;"MARTINI bead: SP3_SP3";;;;;;;-3.07;;-7.91;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM400331;MM400331;CC12CC3(CN)NC3C1O2;IGBAEHNQZHYSQN-UHFFFAOYSA-N;140.19;-0.78;;;;;DOPC;MDCG;27;1;"MARTINI bead: SNa_SP2";;;;;;;-0.24;;-5.21;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM400332;MM400332;N=c1cnc(=O)n(N)n1N;PMOFUYXFQFQFAX-UHFFFAOYSA-N;142.12;-3.05;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP3_SP3";;;;;;;-3.07;;-6.15;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM400333;MM400333;CCC12CC3(C)CC3C1O2;GSBOPTSKVUHLRX-UHFFFAOYSA-N;138.21;1.96;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC5_SC4";;;;;;;2.97;;0.45;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM400334;MM400334;Nn1c(=O)cnc(=O)n1N;ZJOFUPIZRXFUSU-UHFFFAOYSA-N;143.11;-3.17;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP3_SP3";;;;;;;-3.07;;-6.15;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM400335;MM400335;CC12CC1C1OC1(CN)C2;ZIGDGOALZFYUNM-UHFFFAOYSA-N;139.2;0.51;;;;;DOPC;MDCG;27;1;"MARTINI bead: SC5_SP2";;;;;;;0.54;;-3.12;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM400336;MM400336;N=c1cnc(=N)n(O)n1N;RZNGLCYHGMRJMB-UHFFFAOYSA-N;142.12;-2.41;;;;;DOPC;MDCG;27;1;"MARTINI bead: SP3_SP3";;;;;;;-3.07;;-8.04;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM400337;MM400337;CCC12CC3(N)CC3C1O2;MIVNLIWHNZIDPW-UHFFFAOYSA-N;139.2;0.66;;;;;DOPC;MDCG;27;1;"MARTINI bead: SC5_SNd";;;;;;;1.64;;-2.64;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM400338;MM400338;NC(=NO)C(F)C(=O)O;AEHGNQXMMGIRSW-UHFFFAOYSA-N;136.08;-0.84;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_P1";;;;;;;-1.06;;-7.99;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM400339;MM400339;CCC12CC3(O)CC3C1O2;XCISIWHQEAGZRQ-UHFFFAOYSA-N;140.18;0.69;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC5_SNda";;;;;;;1.64;;0.05;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM400340;MM400340;NC(=O)C=CC(=O)O;FSQQTNAZHBEJLS-UHFFFAOYSA-N;115.09;-0.89;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_P1";;;;;;;-1.06;;-7.99;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM400341;MM400341;CCC12CC3(F)CC3C1O2;GHJMVGDIUGVVMF-UHFFFAOYSA-N;142.17;1.67;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC5_SC5";;;;;;;2.41;;0.64;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM400342;MM400342;Cn1c(=N)ncc(=N)n1O;QGCSAUOFIHDIAQ-UHFFFAOYSA-N;141.13;-1.58;;;;;DOPC;MDCG;27;1;"MARTINI bead: SP3_SP3";;;;;;;-3.07;;-8.19;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM400343;MM400343;CC12CC3(CN)OC3C1N2;RYDCGMWYRMERDA-UHFFFAOYSA-N;140.19;-0.78;;;;;DOPC;MDCG;27;1;"MARTINI bead: SNd_SP1";;;;;;;0.04;;-4.68;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM400344;MM400344;Nc1noc(=NN2CC2)o1;YONUFORFRLQRRT-UHFFFAOYSA-N;142.12;-1.02;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP3_SP2";;;;;;;-2.2;;-5.19;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM400345;MM400345;CCC12CC3(C)OC3C1O2;QNLHSNYTZUJYTR-UHFFFAOYSA-N;140.18;1.1;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC5_SNa";;;;;;;1.64;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM400346;MM400346;C=CC(=CC(N)=O)C(=O)O;QGUMXZLVEWLOFV-UHFFFAOYSA-N;141.13;-0.33;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda_P1";;;;;;;0.04;;-6.93;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM400347;MM400347;CCC12CC1N1CC1(C)C2;HVEFTANVFSUUEJ-UHFFFAOYSA-N;137.23;1.63;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC3_SP1";;;;;;;1.74;;0.32;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM400348;MM400348;CNc1c[nH]c(C#N)c1N;LEYOUXWMSYWWTJ-UHFFFAOYSA-N;136.16;0.51;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNd_SNd";;;;;;;0.87;;-2.11;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM400349;MM400349;CCC12CN1C1CC1(C)C2;DOAOHZRDWYZVRK-UHFFFAOYSA-N;137.23;1.63;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNd_SC4";;;;;;;2.2;;0.35;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM400350;MM400350;Nn1nnc(F)c1O;LUTJTLZWWDGPOP-UHFFFAOYSA-N;118.07;-1.16;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP2_SP1";;;;;;;-1.06;;-7.99;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM400351;MM400351;C=CC12C=CC(=NN)N1C2;RYCBVGGKJGOINM-UHFFFAOYSA-N;135.17;0.07;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP1_SN0";;;;;;;0.34;;-1.53;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM400352;MM400352;C=NOC1CC(=O)C1;WYWZXCFHSBQOHX-UHFFFAOYSA-N;113.12;0.35;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC5_SNa";;;;;;;1.64;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM400353;MM400353;Nn1nc(F)c(O)c1F;KDSZSCFNAXGKJB-UHFFFAOYSA-N;135.07;-0.42;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNda_SNda";;;;;;;0.87;;-6.3;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM400354;MM400354;NC1C2CC3(F)CC3C12F;LPFBVHJPTGCNQD-UHFFFAOYSA-N;145.15;0.78;;;;;DOPC;MDCG;27;1;"MARTINI bead: SC5_SP1";;;;;;;0.81;;-1.81;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM400355;MM400355;OC=C1C=NC(=NO)O1;URGKEGHUEBHTAJ-UHFFFAOYSA-N;128.09;0.23;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNda_SP1";;;;;;;0.04;;-6.93;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM400356;MM400356;CC12CC3C(N)C3(N)C1O2;VXQTVTZNVJTRGI-UHFFFAOYSA-N;140.19;-0.8;;;;;DOPC;MDCG;27;1;"MARTINI bead: SNa_SP2";;;;;;;-0.24;;-5.14;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM400357;MM400357;Cn1c(=N)nnc(=O)n1C;LOOGVHUWNCRLJW-UHFFFAOYSA-N;141.13;-2.01;;;;;DOPC;MDCG;27;1;"MARTINI bead: SP3_SP3";;;;;;;-3.07;;-7.54;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM400358;MM400358;CC12CC3C(O)C3(N)C1O2;FMOYKAXWPORYDB-UHFFFAOYSA-N;141.17;-0.76;;;;;DOPC;MDCG;27;1;"MARTINI bead: SNa_SP1";;;;;;;0.04;;-4.08;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM400359;MM400359;Nn1c(=O)nnc(=O)n1N;KPLPMTKZXCNYEX-UHFFFAOYSA-N;144.09;-3.77;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP4_SP4";;;;;;;-3.24;;-7.51;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM400360;MM400360;CN1C2CC3(C)OC3C21C;GSROBNSBSYILKN-UHFFFAOYSA-N;139.2;0.62;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNa_SNd";;;;;;;0.87;;-1.88;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
Hdmpp;MM15209;Cc1c(O)c(=O)ccn1C;TZXKOCQBRNJULO-UHFFFAOYSA-N;139.15;0.4;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNda_SP1";;;;;;;0.04;;-2.73;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM400361;MM400361;CCC12CC3C(C1)C3(C)C2;MAYGWUWQWXNELK-UHFFFAOYSA-N;136.24;2.83;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC1_SC4";;;;;;;4.24;;0.42;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM400362;MM400362;Cc1c(O)c(=O)ncn1C;BIMJVZMIHBGAOF-UHFFFAOYSA-N;140.14;-0.21;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNda_SP2";;;;;;;-0.24;;-3.31;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM400363;MM400363;CC12CC3(CN)CC1C2C3;ZTYCSYIRVXOSFE-UHFFFAOYSA-N;137.23;1.38;;;;;DOPC;MDCG;27;1;"MARTINI bead: SC4_SC5";;;;;;;2.97;;0.19;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM400364;MM400364;Cc1c(O)c(=O)ncn1O;JNLZJUYIQMTXAW-UHFFFAOYSA-N;142.11;-0.51;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNda_SP3";;;;;;;-1.1;;-3.97;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM400365;MM400365;CC1CC1C1(O)CC1;YMEHQAINMXMVNP-UHFFFAOYSA-N;112.17;1.17;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC5_SP1";;;;;;;0.81;;-0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM400366;MM400366;Cc1c(O)c(=O)cnn1C;GBSRIYINOSBFSN-UHFFFAOYSA-N;140.14;-0.21;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP4_SNa";;;;;;;-1.19;;-4.76;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM400367;MM400367;CC12CC3(CF)CC1C2C3;RLXJWWSTUBWZRM-UHFFFAOYSA-N;140.2;2.39;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC4_SC4";;;;;;;3.53;;0.53;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM400368;MM400368;Cc1ccc(O)c(=N)n1C;MOUVGPRFSUFOPT-UHFFFAOYSA-N;138.17;0.52;;;;;DOPC;MDCG;27;1;"MARTINI bead: SNda_SNd";;;;;;;0.87;;-8.08;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM400369;MM400369;CCC12CC3C(C1)C3(N)C2;QXZLQUNMWAAISO-UHFFFAOYSA-N;137.23;1.52;;;;;DOPC;MDCG;27;1;"MARTINI bead: SC1_SNd";;;;;;;2.91;;-0.67;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM400370;MM400370;Cc1ccc(O)c(=O)n1C;NUDBOWXKHDZWMC-UHFFFAOYSA-N;139.15;0.4;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNda_SNa";;;;;;;0.87;;-1.99;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM400371;MM400371;NC12CC3(CO)CC1C2C3;LFWVDLOAGKZNKZ-UHFFFAOYSA-N;139.2;0.11;;;;;DOPC;MDCG;27;1;"MARTINI bead: SNd_SC5";;;;;;;1.64;;-2.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM400372;MM400372;Cn1c(=N)c(=O)ccn1N;JLCNIYNGNAXKEA-UHFFFAOYSA-N;140.15;-1.62;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNd_SP3";;;;;;;-1.1;;-3.93;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM400373;MM400373;NC12CC3(CF)CC1C2C3;CWKVZTOVQLTAQJ-UHFFFAOYSA-N;141.19;1.08;;;;;DOPC;MDCG;27;1;"MARTINI bead: SNd_SC4";;;;;;;2.2;;-2.34;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM400374;MM400374;CC#Cc1[nH]cc(C)c1N;ALVHBIFSLPDJDR-UHFFFAOYSA-N;134.18;1.28;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNd_SN0";;;;;;;1.17;;-1.04;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM400375;MM400375;NCC12CC3C(C1)C3(O)C2;SZRPRNAJFHMNIR-UHFFFAOYSA-N;139.2;0.11;;;;;DOPC;MDCG;27;1;"MARTINI bead: SC5_SNda";;;;;;;1.64;;-2.07;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM400376;MM400376;Cn1ccc(=O)c(=O)n1C;BMYZPFKBOOANQE-UHFFFAOYSA-N;140.14;-0.92;;;;;DOPC;MDCG;27;0;"MARTINI bead: SN0_SP2";;;;;;;0.06;;-2.21;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM400377;MM400377;OC12CC3(CF)CC1C2C3;CMJZEKFTBIPRLW-UHFFFAOYSA-N;142.17;1.12;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNda_SC4";;;;;;;2.2;;0.49;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM400378;MM400378;Cn1c(=O)c(=O)ccn1N;OIKGLECTCDRFQN-UHFFFAOYSA-N;141.13;-1.74;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNd_SP2";;;;;;;-0.24;;-3.16;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM400379;MM400379;CCC12CC3C(C1)C3(F)C2;KXDIULYROJPBSR-UHFFFAOYSA-N;140.2;2.53;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC1_SC5";;;;;;;3.68;;0.46;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM400380;MM400380;Cn1c(=O)c(=O)ccn1O;OWBNCKBLNYSGBN-UHFFFAOYSA-N;142.11;-1.22;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNda_SP2";;;;;;;-0.24;;-3.31;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM400381;MM400381;FCC12CC3C(C1)C3(F)C2;MMQCDVUVKWQJCZ-UHFFFAOYSA-N;144.16;2.09;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC3_SC5";;;;;;;3.34;;0.48;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM400382;MM400382;Cn1ccc(=O)c(=N)n1N;BQYRIGREYSQUHA-UHFFFAOYSA-N;140.15;-1.62;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNd_SP3";;;;;;;-1.1;;-3.93;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM400383;MM400383;CNC12CC3C(C1)C3(C)C2;RGMSORYOUKNQSO-UHFFFAOYSA-N;137.23;1.39;;;;;DOPC;MDCG;27;1;"MARTINI bead: SNd_SC4";;;;;;;2.2;;-2.66;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM400384;MM400384;N=c1c(=O)ccn(N)n1N;VXNFDVPLRWCRHA-UHFFFAOYSA-N;141.13;-2.44;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP1_SP3";;;;;;;-1.93;;-4.72;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM400385;MM400385;COC12CC3C(C1)C3(C)C2;AJJICMYAAOEVIT-UHFFFAOYSA-N;138.21;1.82;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC5_SN0";;;;;;;1.94;;0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM400386;MM400386;C=CC(C#N)C1NC1C=O;ULYNKCPOUCRGLC-UHFFFAOYSA-N;136.15;-0.15;;;;;DOPC;MDCG;27;0;"MARTINI bead: N0_SP2";;;;;;;0.06;;-2.21;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM400387;MM400387;COC12CC3C(C1)C3(O)C2;JRSRFXSCGBMCFP-UHFFFAOYSA-N;140.18;0.55;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC5_SNda";;;;;;;1.64;;0.05;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM400388;MM400388;Cn1ccc(=O)c(=O)n1N;ACEPFEOHCVEKEN-UHFFFAOYSA-N;141.13;-1.74;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNd_SP2";;;;;;;-0.24;;-3.16;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM400389;MM400389;COC12CC3C(C1)C3(F)C2;NBGSDXFCDQRBSP-UHFFFAOYSA-N;142.17;1.52;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC5_SC5";;;;;;;2.41;;0.64;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM400390;MM400390;Nn1ccc(=O)c(=O)n1N;LPZQQDQWRYAYNE-UHFFFAOYSA-N;142.12;-2.56;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP1_SP2";;;;;;;-1.06;;-3.82;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM400391;MM400391;NC12CC3(CO)CC1C2N3;SUDXYMPMXOYXJB-UHFFFAOYSA-N;140.19;-1.19;;;;;DOPC;MDCG;27;1;"MARTINI bead: SNd_SNda";;;;;;;0.87;;-4.18;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM400392;MM400392;N#CC=CNN=COC=O;ZKNDGBKRXQMWDO-UHFFFAOYSA-N;139.11;-0.27;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_N0";;;;;;;0.34;;-1.53;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM400393;MM400393;OCC12CC3C(N1)C3(O)C2;KCJWTEPYTGGLAX-UHFFFAOYSA-N;141.17;-1.16;;;;;DOPC;MDCG;27;1;"MARTINI bead: SP1_SNda";;;;;;;0.04;;-4.6;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM400394;MM400394;CCCC#CC(=O)C1CN1;SVJJISPPSUHYKP-UHFFFAOYSA-N;137.18;0.33;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4_SP2";;;;;;;1.09;;-0.38;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM400395;MM400395;CC12CC3(CO)CC1C2O3;DIRKNHFXAFKQRV-UHFFFAOYSA-N;140.18;0.55;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC4_SNda";;;;;;;2.2;;0.49;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM400396;MM400396;C=CCC#CC(=O)C1CN1;MTSBENPPDJEWPV-UHFFFAOYSA-N;135.17;0.11;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_SP2";;;;;;;0.54;;-1.09;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM400397;MM400397;NC12CC3(CO)CC1C2O3;RXEDKQQPUKXHEI-UHFFFAOYSA-N;141.17;-0.76;;;;;DOPC;MDCG;27;1;"MARTINI bead: SNd_SNda";;;;;;;0.87;;-3.7;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM400398;MM400398;C#CCC#CC(=O)C1CN1;SKYIOXUVOBWYNH-UHFFFAOYSA-N;133.15;-0.45;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_SP2";;;;;;;0.54;;-1.09;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM400399;MM400399;CCC12CC3C(O1)C3(O)C2;FSLCIVLCUWNNJM-UHFFFAOYSA-N;140.18;0.69;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC5_SNda";;;;;;;1.64;;0.05;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM400400;MM400400;NNC(=NO)OCC(=O)O;QMCVAKCIUBPRIU-UHFFFAOYSA-N;149.11;-1.7;;;;;DOPC;MDCG;27;0;"MARTINI bead: P3_P1";;;;;;;-1.93;;-8.66;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM400401;MM400401;OCC12CC3C(O1)C3(O)C2;CEQHTGQFMQZFRX-UHFFFAOYSA-N;142.15;-0.73;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP1_SNda";;;;;;;0.04;;-2.73;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM400402;MM400402;CC(=O)N=c1[nH]oc(=O)o1;GHAYBYZDUCILQI-UHFFFAOYSA-N;144.09;-0.99;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_SP2";;;;;;;-0.24;;-7.43;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM400403;MM400403;CCC12CC3C(O1)C3(F)C2;YUPZZOCXHHKZRZ-UHFFFAOYSA-N;142.17;1.67;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC5_SC5";;;;;;;2.41;;0.64;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM400404;MM400404;CC(C)NC(=O)C(=O)O;KBMFHCMLHQGQEB-UHFFFAOYSA-N;131.13;-0.4;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nd_P2";;;;;;;-0.24;;-7.34;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM400405;MM400405;OCC12CC3C(O1)C3(F)C2;ANUQQZNZKGWWKX-UHFFFAOYSA-N;144.15;0.25;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP1_SC5";;;;;;;0.81;;-0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM400406;MM400406;Cn1cnc(=O)c(=N)n1C;FREOFRCDJCTQGF-UHFFFAOYSA-N;140.15;-1.4;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNa_SP4";;;;;;;-1.19;;-4.76;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM400407;MM400407;COC12CC3C(O1)C3(O)C2;ISGBLLPWMSGQFT-UHFFFAOYSA-N;142.15;-0.12;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNa_SNda";;;;;;;0.87;;-1.99;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM400408;MM400408;Cn1c(=N)c(=O)ncn1N;RMOHBYXDUULRHL-UHFFFAOYSA-N;141.13;-2.22;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP1_SP4";;;;;;;-2.01;;-5.13;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM400409;MM400409;CCC12CC3(C)C(O1)C3O2;DYVYBXTYXHTFHL-UHFFFAOYSA-N;140.18;1.3;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNa_SC4";;;;;;;2.2;;0.34;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM400410;MM400410;NN=C(C#CC1CC1)NN;HOQQURFAIRJZMP-UHFFFAOYSA-N;138.17;-0.86;;;;;DOPC;MDCG;27;0;"MARTINI bead: P3_SC5";;;;;;;-0.33;;-2.01;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM400411;MM400411;CC12CC3(CN)OC1C2O3;LBRQWHBLMNHYFC-UHFFFAOYSA-N;141.17;-0.15;;;;;DOPC;MDCG;27;1;"MARTINI bead: SC4_SP2";;;;;;;1.09;;-1.71;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM400412;MM400412;NN=C(C#CC1CN1)NN;ULTZKQLFZPEOIW-UHFFFAOYSA-N;139.16;-2.3;;;;;DOPC;MDCG;27;0;"MARTINI bead: P3_SP1";;;;;;;-1.93;;-4.72;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM400413;MM400413;CC12CC3(CO)OC1C2O3;YBSOVWXUSFGABH-UHFFFAOYSA-N;142.15;-0.12;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC4_SP2";;;;;;;1.09;;-0.38;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM400414;MM400414;Cn1cnc(=N)c(=O)n1C;XWQMCQMLBFMNDB-UHFFFAOYSA-N;140.15;-1.4;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNa_SP4";;;;;;;-1.19;;-4.76;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM400415;MM400415;CCC12CC3(N)C(O1)C3O2;LTNIDJIEMDNSQH-UHFFFAOYSA-N;141.17;-0.01;;;;;DOPC;MDCG;27;1;"MARTINI bead: SNa_SNd";;;;;;;0.87;;-3.11;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM400416;MM400416;Cn1cnc(=O)c(=O)n1C;MVSZYSKSMZUCMA-UHFFFAOYSA-N;141.13;-1.52;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNa_SP3";;;;;;;-1.1;;-4.2;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM400417;MM400417;CCC12CC3(O)C(O1)C3O2;PHVULNBKXXVCIA-UHFFFAOYSA-N;142.15;0.03;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNa_SNda";;;;;;;0.87;;-1.99;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM400418;MM400418;Cn1c(=O)c(=N)ncn1N;KMRIZIRJHJUKMT-UHFFFAOYSA-N;141.13;-2.22;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP1_SP4";;;;;;;-2.01;;-5.13;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM400419;MM400419;OCC12CC3(O)C(O1)C3O2;PSCXPLKQSZNIDL-UHFFFAOYSA-N;144.13;-1.39;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP2_SNda";;;;;;;-0.24;;-3.31;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM400420;MM400420;Cn1c(=O)c(=O)ncn1N;NYHKQAYTMJGJRZ-UHFFFAOYSA-N;142.12;-2.34;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP1_SP3";;;;;;;-1.93;;-4.72;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM400421;MM400421;CCC12CC3(F)C(O1)C3O2;NOQBYEJOXFXYEV-UHFFFAOYSA-N;144.15;1;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNa_SC5";;;;;;;1.64;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM400422;MM400422;CC(O)CC(C)(C)C;OIBKGNPMOMMSSI-UHFFFAOYSA-N;116.2;1.8;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda_C3";;;;;;;2.57;;0.44;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM400423;MM400423;NCC12CC3(F)C(O1)C3O2;CSDQYGNXVSCNDB-UHFFFAOYSA-N;145.13;-0.45;;;;;DOPC;MDCG;27;1;"MARTINI bead: SP2_SC5";;;;;;;0.54;;-2.45;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM400424;MM400424;Cn1c(=O)c(=O)ncn1O;FLFFYZPUFMOANO-UHFFFAOYSA-N;143.1;-1.82;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP1_SP3";;;;;;;-1.93;;-4.72;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM400425;MM400425;OCC12CC3(F)C(O1)C3O2;DDQMSEHRWSQNDA-UHFFFAOYSA-N;146.12;-0.42;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP2_SC5";;;;;;;0.54;;-1.09;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM400426;MM400426;Cn1cnc(=O)c(=N)n1N;YWQXXSDZPAFRSI-UHFFFAOYSA-N;141.13;-2.22;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP1_SP4";;;;;;;-2.01;;-5.13;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM400427;MM400427;CCC12CC3C(C1)C3(C)O2;FJHQVPQKHVBIAC-UHFFFAOYSA-N;138.21;1.96;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC1_SNa";;;;;;;2.91;;0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM400428;MM400428;N=c1c(=O)ncn(N)n1N;KGPZSZCQJLJKCV-UHFFFAOYSA-N;142.12;-3.05;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP2_SP4";;;;;;;-2.29;;-5.95;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM400429;MM400429;CCC12CC3N(C1)C3(C)C2;CKZNEWFKHHAZCJ-UHFFFAOYSA-N;137.23;1.63;;;;;DOPC;MDCG;27;0;"MARTINI bead: SN0_SNd";;;;;;;1.17;;-1.04;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM400430;MM400430;CC1(C)CC=CC1O;PBTXHOYVFIICNA-UHFFFAOYSA-N;112.17;1.33;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC3_SNda";;;;;;;2.57;;0.44;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM400431;MM400431;CC12CC3(CN)CC1N2C3;AHGRFYVJAHNVPD-UHFFFAOYSA-N;138.21;0.18;;;;;DOPC;MDCG;27;1;"MARTINI bead: SNd_SC5";;;;;;;1.64;;-2.05;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM400432;MM400432;CC1=CC(=O)C(=N)N1;KIWAPLWTFPETFW-UHFFFAOYSA-N;110.12;0.04;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNd_SP2";;;;;;;-0.24;;-3.16;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM400433;MM400433;C#CCC(C)(O)C(=C)C;BBAJIRHALVAOSN-UHFFFAOYSA-N;124.18;1.34;;;;;DOPC;MDCG;27;0;"MARTINI bead: N0_N0";;;;;;;1.47;;-0.05;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM400434;MM400434;Cn1cnc(=N)c(=O)n1N;XXLNUIJJBBOPKO-UHFFFAOYSA-N;141.13;-2.22;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP1_SP4";;;;;;;-2.01;;-5.13;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM400435;MM400435;CC12CC3(CF)CC1N2C3;FKSDNEXGHOQULA-UHFFFAOYSA-N;141.19;1.19;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNd_SC4";;;;;;;2.2;;0.32;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM400436;MM400436;Cn1cnc(=O)c(=O)n1N;BURMNNBVZXDOFH-UHFFFAOYSA-N;142.12;-2.34;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP1_SP3";;;;;;;-1.93;;-4.72;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM400437;MM400437;CNC12CC3N(C1)C3(C)C2;FWGCKNHITIJXFU-UHFFFAOYSA-N;138.21;0.19;;;;;DOPC;MDCG;27;1;"MARTINI bead: SP1_SP1";;;;;;;-0.79;;-5.7;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM400438;MM400438;N=c1ncn(N)n(N)c1=O;WVOGOTXQRMRXJM-UHFFFAOYSA-N;142.12;-3.05;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP2_SP4";;;;;;;-2.29;;-5.95;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM400439;MM400439;COC12CC3N(C1)C3(C)C2;WKLWSOPDABDNJP-UHFFFAOYSA-N;139.2;0.62;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNa_SP1";;;;;;;0.04;;-2.54;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM400440;MM400440;Nn1cnc(=O)c(=O)n1N;UBOJFTUIAAEHLV-UHFFFAOYSA-N;143.11;-3.17;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP2_SP3";;;;;;;-2.2;;-5.19;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM400441;MM400441;C=CC12CC3C(C1)C3(C)C2;JQCKYANOOUIDKE-UHFFFAOYSA-N;134.22;2.61;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC4_SC1";;;;;;;4.24;;0.42;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM400442;MM400442;C=Cc1cc(N)c[nH]1;CKIKVQXXBYPVBB-UHFFFAOYSA-N;108.14;1.24;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP1_SNd";;;;;;;0.04;;-2.63;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM400443;MM400443;CC12CC3(C=O)CC1C2C3;PAXZVWNKSNCVQW-UHFFFAOYSA-N;136.19;1.62;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC4_SC5";;;;;;;2.97;;0.45;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM400444;MM400444;C=C1CCC(C)C1O;DONFZZIDPDGJLI-UHFFFAOYSA-N;112.17;1.33;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC3_SNda";;;;;;;2.57;;0.44;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM400445;MM400445;C=CC12CC3C(C1)C3(N)C2;SJJAOBNIQASLKM-UHFFFAOYSA-N;135.21;1.3;;;;;DOPC;MDCG;27;1;"MARTINI bead: SNd_SC1";;;;;;;2.91;;-0.67;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM400446;MM400446;CC(=O)C1C(C)N1C;HDRUNJKYINELQG-UHFFFAOYSA-N;113.16;0.28;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNd_Na";;;;;;;0.87;;-1.88;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM400447;MM400447;CC(F)CC(=O)N(C)N;DKPDMWTWCLTBFA-UHFFFAOYSA-N;134.15;0.07;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_P3";;;;;;;-0.33;;-2.01;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM400448;MM400448;CC#CC(=O)C1CN1;AAYZZZUQCDHQBM-UHFFFAOYSA-N;109.13;-0.45;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_SP2";;;;;;;0.54;;-1.09;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM400449;MM400449;O=CC12CC3C(C1)C3(O)C2;SMMYFHWWZNWBNM-UHFFFAOYSA-N;138.17;0.35;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNda_SC5";;;;;;;1.64;;0.05;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM400450;MM400450;C=C(C)C(O)C1CC1;SOAOHZAWGOLOML-UHFFFAOYSA-N;112.17;1.33;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda_SC5";;;;;;;1.64;;0.05;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM400451;MM400451;C=CC12CC3C(C1)C3(F)C2;MYYIDSGPUVFUKH-UHFFFAOYSA-N;138.19;2.31;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC5_SC1";;;;;;;3.68;;0.46;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM400452;MM400452;CC(=O)CC1(C=O)CN1;LYKRVNUOWWOGMK-UHFFFAOYSA-N;127.14;-0.49;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_SP2";;;;;;;-1.06;;-3.82;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM400453;MM400453;O=CC12CC3C(C1)C3(F)C2;GKBMRRBTOZYIDB-UHFFFAOYSA-N;140.16;1.32;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC5_SC5";;;;;;;2.41;;0.64;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM400454;MM400454;C=C(C)C=NN=CNN;PXMMXVWMIYPPKE-UHFFFAOYSA-N;126.16;0.04;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4_P4";;;;;;;0.15;;-2.18;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM400455;MM400455;C=CC12CC3C(N1)C3(C)C2;DYWNATSWVFFTTD-UHFFFAOYSA-N;135.21;1.31;;;;;DOPC;MDCG;27;1;"MARTINI bead: SC4_SNd";;;;;;;2.2;;-1.92;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM400456;MM400456;N=c1c(=O)ncn(O)n1O;QILBYCUJYYYALJ-UHFFFAOYSA-N;144.09;-2;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP1_SP4";;;;;;;-2.01;;-5.13;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM400457;MM400457;C=CC12CC3C(N1)C3(N)C2;HQIJILWSCSYGPG-UHFFFAOYSA-N;136.2;;;;;;DOPC;MDCG;27;1;"MARTINI bead: SNd_SNd";;;;;;;0.87;;-4.45;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM400458;MM400458;C=CC12CC3C(O1)C3(C)C2;BAVLQPFKCUVOES-UHFFFAOYSA-N;136.19;1.74;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC4_SC5";;;;;;;2.97;;0.45;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM400459;MM400459;N=c1c(O)noc(=O)n1O;VWVLVXHDNPDGOU-UHFFFAOYSA-N;145.07;-1.74;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP2_SP3";;;;;;;-2.2;;-9.17;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM400460;MM400460;O=CC12CC3C(O1)C3(F)C2;VARQQACEGTVBET-UHFFFAOYSA-N;142.13;0.45;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC5_SNa";;;;;;;1.64;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM400461;MM400461;CCC(C)(F)C(=O)NOC;QKGRDEZFGJRBBW-UHFFFAOYSA-N;149.17;0.8;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_P2";;;;;;;0.54;;-5.25;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM400462;MM400462;C=CC12CC3(C)C(O1)C3O2;NUGNEVDWUCBELD-UHFFFAOYSA-N;138.17;1.08;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC4_SNa";;;;;;;2.2;;0.34;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM400463;MM400463;CCON=C(C=O)C(=O)O;UREGYRCLDNJFJF-UHFFFAOYSA-N;145.11;-0.34;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_P1";;;;;;;0.04;;-6.76;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM400464;MM400464;CC12CC3(C=O)OC1C2O3;RIVKYOVYENGPMK-UHFFFAOYSA-N;140.14;0.09;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC4_SP2";;;;;;;1.09;;-0.38;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM400465;MM400465;C=COC(=NNC)C(=O)O;RMYOHVFFSFPDQY-UHFFFAOYSA-N;144.13;-0.24;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_P1";;;;;;;-1.06;;-8;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM400466;MM400466;CC12CC3(C#N)OC1C2O3;GRMNFFFPFVMOGB-UHFFFAOYSA-N;137.14;0.41;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC4_SP1";;;;;;;1.37;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM400467;MM400467;C#CC(NC=O)C(=O)O;WCXKGKZMXXSQDI-UHFFFAOYSA-N;127.1;-1.18;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_P2";;;;;;;-1.06;;-8;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM400468;MM400468;C=CC12CC3(N)C(O1)C3O2;ZIXYIGHCZHHVKE-UHFFFAOYSA-N;139.15;-0.23;;;;;DOPC;MDCG;27;1;"MARTINI bead: SNd_SNa";;;;;;;0.87;;-3.1;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM400469;MM400469;C=C(C)OC(=NN)C(=O)O;WAHAUYDOIGBYLU-UHFFFAOYSA-N;144.13;-0.11;;;;;DOPC;MDCG;27;0;"MARTINI bead: N0_P1";;;;;;;0.34;;-5.76;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM400470;MM400470;C=CC12CC3(O)C(O1)C3O2;FOUPWPVJRINBOQ-UHFFFAOYSA-N;140.14;-0.2;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNda_SNa";;;;;;;0.87;;-1.99;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM400471;MM400471;Cn1ncc(=O)c(=N)n1C;QIQZGKRKCVUWFJ-UHFFFAOYSA-N;140.15;-1.4;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNa_SP3";;;;;;;-1.1;;-4.2;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM400472;MM400472;C=CC12CC3(F)C(O1)C3O2;NLMPSHMVLWCRIG-UHFFFAOYSA-N;142.13;0.78;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC5_SNa";;;;;;;1.64;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM400473;MM400473;Cn1ncc(=O)c(=O)n1C;STDMEFVRAIDFFZ-UHFFFAOYSA-N;141.13;-1.52;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNa_SP3";;;;;;;-1.1;;-4.2;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM400474;MM400474;O=CC12CC3(F)C(O1)C3O2;PRHAVTNUGHVQQH-UHFFFAOYSA-N;144.1;-0.21;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC5_SP2";;;;;;;0.54;;-1.09;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM400475;MM400475;Cn1ncc(=O)c(=N)n1N;UJMJHUVTONBHBU-UHFFFAOYSA-N;141.13;-2.22;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP1_SP3";;;;;;;-1.93;;-4.72;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM400476;MM400476;N#CC12CC3(F)C(O1)C3O2;DFNPPAQLNZAYOF-UHFFFAOYSA-N;141.1;0.12;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC5_SP1";;;;;;;0.81;;-0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM400477;MM400477;Cn1ncc(=O)c(=O)n1N;JZEZNUHXSHGWCQ-UHFFFAOYSA-N;142.12;-2.34;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP1_SP3";;;;;;;-1.93;;-4.72;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM400478;MM400478;C=CC12CC3N(C1)C3(C)C2;BGXMSJNMWGBGRP-UHFFFAOYSA-N;135.21;1.41;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNd_SC1";;;;;;;2.91;;0.63;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM400479;MM400479;N=C(C=NN)NC=NN;MAVFTLNJRFFARM-UHFFFAOYSA-N;128.14;-1.6;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_P3";;;;;;;-1.93;;-4.72;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM400480;MM400480;CC12CC3(C=O)CC1N2C3;ANVFQMLAKIFPHE-UHFFFAOYSA-N;137.18;0.42;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNd_SC5";;;;;;;1.64;;0.02;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM400481;MM400481;C#CC=CC(=NO)C(=O)O;AWTSBSJXXOWAEM-UHFFFAOYSA-N;139.11;0.09;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_N0";;;;;;;0.34;;-5.76;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM400482;MM400482;C#CC12CC3(F)C(O1)C3O2;DHGKUBGHURZLTP-UHFFFAOYSA-N;140.11;0.23;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC5_SP1";;;;;;;0.81;;-0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM400483;MM400483;Cn1nnc(=N)c(=N)n1C;AEBNYKNJDJXKCP-UHFFFAOYSA-N;140.15;-1.89;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP1_SP3";;;;;;;-1.93;;-4.72;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM400484;MM400484;CCC(CC)C(CN)CO;QKMIBCQRKXFLJE-UHFFFAOYSA-N;145.25;0.99;;;;;DOPC;MDCG;27;1;"MARTINI bead: C1_P2";;;;;;;1.8;;-1.31;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM400485;MM400485;Cn1nnc(=O)c(=N)n1C;UTCYFGONKNBSMS-UHFFFAOYSA-N;141.13;-2.01;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP1_SP3";;;;;;;-1.93;;-4.72;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM400486;MM400486;CCC(CN)C(CC)CN;FIUWSUJVEMMOCN-UHFFFAOYSA-N;144.26;0.96;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_Nd";;;;;;;0.87;;-5.21;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM400487;MM400487;Cn1nnc(=N)c(=O)n1C;WRGTYKRALSMKQK-UHFFFAOYSA-N;141.13;-2.01;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP1_SP3";;;;;;;-1.93;;-4.72;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM400488;MM400488;CCC(CN)C(CF)CF;LWKBBQZFWKBUTK-UHFFFAOYSA-N;151.2;1.53;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_Na";;;;;;;0.87;;-4.68;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM400489;MM400489;Cn1nnc(=O)c(=O)n1C;WNZUUXJNDQQMFI-UHFFFAOYSA-N;142.12;-2.13;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP1_SP3";;;;;;;-1.93;;-4.72;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM400490;MM400490;CCC(CF)C(CN)CF;FFSPIXAGKHKBKN-UHFFFAOYSA-N;151.2;1.53;;;;;DOPC;MDCG;27;1;"MARTINI bead: C4_P1";;;;;;;1.37;;-2.65;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM400491;MM400491;Cn1nnc(=N)c(=N)n1N;YJNJWASOFIXTLJ-UHFFFAOYSA-N;141.14;-2.71;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP2_SP3";;;;;;;-2.2;;-5.19;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM400492;MM400492;NCC(CF)C(CN)CF;AIWIGFSDWOXTHY-UHFFFAOYSA-N;152.19;0.08;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1_P1";;;;;;;-0.79;;-6.15;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM400493;MM400493;Cn1nnc(=O)c(=N)n1N;RHXLSXSOYHKVOD-UHFFFAOYSA-N;142.12;-2.83;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP2_SP3";;;;;;;-2.2;;-5.19;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM400494;MM400494;FCC(CF)C(CF)CF;JNPQLFCPKNKAIY-UHFFFAOYSA-N;158.14;2.1;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_Na";;;;;;;0.87;;-2.22;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM400495;MM400495;Cn1nnc(=N)c(=O)n1N;VQZFLCPHJMYJFF-UHFFFAOYSA-N;142.12;-2.83;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP2_SP3";;;;;;;-2.2;;-5.19;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM400496;MM400496;CCC(CN)C(CF)NC;BILXSZRNSRBQST-UHFFFAOYSA-N;148.23;0.53;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_P1";;;;;;;0.04;;-5.13;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM400497;MM400497;Cn1nnc(=O)c(=O)n1N;GRZCFDBYHYSSDK-UHFFFAOYSA-N;143.11;-2.95;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP2_SP3";;;;;;;-2.2;;-5.19;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM400498;MM400498;CCC(CF)C(CF)NC;QHDNQPJPGLBYPQ-UHFFFAOYSA-N;151.2;1.54;;;;;DOPC;MDCG;27;1;"MARTINI bead: C4_P1";;;;;;;1.37;;-1.44;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM400499;MM400499;N=C(C=O)NN=CCF;QFMLSIOKGDIVLJ-UHFFFAOYSA-N;131.11;-0.29;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_P1";;;;;;;0.04;;-2.54;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM400500;MM400500;CNC(CO)C(CO)CO;ADZNXGDTARWFKJ-UHFFFAOYSA-N;149.19;-1.83;;;;;DOPC;MDCG;27;1;"MARTINI bead: P2_P3";;;;;;;-2.2;;-6.94;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM400501;MM400501;Cn1nnc(=O)c(=N)n1O;SUSXMCZNBDKFJR-UHFFFAOYSA-N;143.11;-2.31;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP2_SP3";;;;;;;-2.2;;-5.19;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM400502;MM400502;CCC(CN)C(CN)OC;LJCPUBGHICZVDX-UHFFFAOYSA-N;146.23;-0.05;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_P2";;;;;;;-0.24;;-5.96;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM400503;MM400503;CCn1nnc(F)c1O;ABISEOONCCQQPA-UHFFFAOYSA-N;131.11;0.14;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP1_SP1";;;;;;;-0.79;;-7.37;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM400504;MM400504;COC(CN)C(CO)CO;WWQKCYWNWPIEBQ-UHFFFAOYSA-N;149.19;-1.44;;;;;DOPC;MDCG;27;1;"MARTINI bead: P2_P3";;;;;;;-2.2;;-6.65;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM400505;MM400505;C#CCN(O)C(=N)C(=O)O;ZHJANUMPUUSPRK-UHFFFAOYSA-N;142.11;-0.63;;;;;DOPC;MDCG;27;0;"MARTINI bead: N0_P3";;;;;;;-0.8;;-6.95;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM400506;MM400506;COC(CF)C(CO)CO;WJDGEWRUXYJBQU-UHFFFAOYSA-N;152.17;-0.43;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda_P3";;;;;;;-1.1;;-3.97;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM400507;MM400507;Cn1ccc(=N)n(C)c1=N;WRDOYIDUFAZBFM-UHFFFAOYSA-N;138.17;-0.68;;;;;DOPC;MDCG;27;1;"MARTINI bead: SNd_SP3";;;;;;;-1.1;;-8.04;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM400508;MM400508;COC(OC)C(CN)CF;IIMJYEXNJBOPFE-UHFFFAOYSA-N;151.18;0.15;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1_P1";;;;;;;-0.79;;-5.71;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM400509;MM400509;Cn1c(=N)ccn(N)c1=N;AOBZYSUKOGZEAO-UHFFFAOYSA-N;139.16;-1.5;;;;;DOPC;MDCG;27;1;"MARTINI bead: SP3_SP2";;;;;;;-2.2;;-8.71;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM400510;MM400510;CCC(NC)C(CO)NC;PCGQGWGCPCNPLY-UHFFFAOYSA-N;146.23;-0.44;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_P2";;;;;;;-0.24;;-5.36;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM400511;MM400511;Cn1ccc(=O)n(C)c1=N;RAEDYHMFALYLCR-UHFFFAOYSA-N;139.16;-0.8;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP2_SNd";;;;;;;-0.24;;-3.16;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM400512;MM400512;CNC(CO)C(CO)OC;ICILMFJNWHKGIO-UHFFFAOYSA-N;149.19;-1.43;;;;;DOPC;MDCG;27;1;"MARTINI bead: P2_P2";;;;;;;-1.34;;-5.76;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM400513;MM400513;Cn1c(=O)ccn(N)c1=N;YYXQAINPUHOKGJ-UHFFFAOYSA-N;140.15;-1.62;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP2_SP2";;;;;;;-1.34;;-4.31;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM400514;MM400514;CNC(CO)C(OC)OC;CNGXKVHTXTTWOF-UHFFFAOYSA-N;149.19;-0.81;;;;;DOPC;MDCG;27;1;"MARTINI bead: P2_P1";;;;;;;-1.06;;-4.88;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM400515;MM400515;C=CCC(O)C(=C)C=C;AEIAPBVGUJNNDY-UHFFFAOYSA-N;124.18;1.67;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4_Nda";;;;;;;2.2;;0.49;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM400516;MM400516;COC(CO)C(CO)OC;NGYWQOYLCHMYOO-UHFFFAOYSA-N;150.17;-1;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_P2";;;;;;;-1.34;;-4.31;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM400517;MM400517;Cn1ccc(=N)n(C)c1=O;SWCDFRWIRSWQJT-UHFFFAOYSA-N;139.16;-0.8;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP1_SP3";;;;;;;-1.93;;-4.72;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM400518;MM400518;COC(CO)C(CF)OC;JFTFNLLPVFGQKT-UHFFFAOYSA-N;152.17;-0.02;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_Na";;;;;;;-0.24;;-3.24;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM400519;MM400519;Cn1ccc(=O)n(C)c1=O;JSDBKAHWADVXFU-UHFFFAOYSA-N;140.14;-0.92;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP2_SP1";;;;;;;-1.06;;-3.82;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM400520;MM400520;COC(CN)C(OC)OC;KBURGWUJBARVIE-UHFFFAOYSA-N;149.19;-0.42;;;;;DOPC;MDCG;27;1;"MARTINI bead: P2_P1";;;;;;;-1.06;;-5.74;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM400521;MM400521;Cn1c(=O)ccn(N)c1=O;IYVBVBUSPIQQLS-UHFFFAOYSA-N;141.13;-1.74;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP2_SP2";;;;;;;-1.34;;-4.31;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM400522;MM400522;CCN(CC)C(CN)CO;YMRRBTPUOXEXDP-UHFFFAOYSA-N;146.23;-0.35;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_P2";;;;;;;-0.24;;-5.08;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM400523;MM400523;Cn1ccc(=N)n(N)c1=N;JGRSVHRTADIHSZ-UHFFFAOYSA-N;139.16;-1.5;;;;;DOPC;MDCG;27;1;"MARTINI bead: SNd_SP3";;;;;;;-1.1;;-7.01;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM400524;MM400524;C=CC(CF)C(CC)CN;DFIHQWYVBXBLQM-UHFFFAOYSA-N;145.22;1.74;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_C5";;;;;;;1.64;;-2.69;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM400525;MM400525;N=c1ccn(N)c(=N)n1N;AMXCMHNQEGIETD-UHFFFAOYSA-N;140.15;-2.32;;;;;DOPC;MDCG;27;1;"MARTINI bead: SP2_SP3";;;;;;;-2.2;;-7.71;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM400526;MM400526;C=CC(CN)C(CC)CO;OQGFFXIKLUGUET-UHFFFAOYSA-N;143.23;0.77;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nda_Nd";;;;;;;0.87;;-4.38;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM400527;MM400527;Cn1ccc(=O)n(N)c1=N;ZGRLFJUYZSXTSE-UHFFFAOYSA-N;140.15;-1.62;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP3_SNd";;;;;;;-1.1;;-3.93;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM400528;MM400528;CCC(CO)C(C#N)CO;ZMCWTQJPWNPMEK-UHFFFAOYSA-N;143.19;0.14;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda_P2";;;;;;;-0.24;;-3.31;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM400529;MM400529;N=c1n(N)ccc(=O)n1N;OSCLDXJEPVWMFQ-UHFFFAOYSA-N;141.13;-2.44;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP3_SP2";;;;;;;-2.2;;-5.19;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM400530;MM400530;C=CC(CF)C(CN)CN;PIXGRDMZXHBVRI-UHFFFAOYSA-N;146.21;0.29;;;;;DOPC;MDCG;27;1;"MARTINI bead: P3_C5";;;;;;;-0.33;;-4.7;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM400531;MM400531;CNC1=NC(=O)C(C)=N1;WAILJSHWNHMBQP-UHFFFAOYSA-N;125.13;-0.44;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP1_SP1";;;;;;;-0.79;;-3.13;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM400532;MM400532;C=CC(CC)C(CN)CF;OEYQZTRZRQOARV-UHFFFAOYSA-N;145.22;1.74;;;;;DOPC;MDCG;27;1;"MARTINI bead: C1_P1";;;;;;;2.08;;-1.1;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM400533;MM400533;Cn1ccc(=N)n(N)c1=O;KMSDRRLCQRCBHZ-UHFFFAOYSA-N;140.15;-1.62;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP1_SP3";;;;;;;-1.93;;-4.72;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM400534;MM400534;N#CC(CO)C(CO)CO;OMPCKXBXSOUKQS-UHFFFAOYSA-N;145.16;-1.28;;;;;DOPC;MDCG;27;0;"MARTINI bead: P3_P2";;;;;;;-2.2;;-5.19;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM400535;MM400535;Cn1ccc(=N)n(O)c1=N;HYCRLVVVFDJMMM-UHFFFAOYSA-N;140.15;-0.98;;;;;DOPC;MDCG;27;1;"MARTINI bead: SP3_SNd";;;;;;;-1.1;;-6.13;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM400536;MM400536;N#CC(CF)C(CO)CO;QBWCBXORGDQEOK-UHFFFAOYSA-N;147.15;-0.3;;;;;DOPC;MDCG;27;0;"MARTINI bead: P3_Na";;;;;;;-1.1;;-4.2;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM400537;MM400537;N=c1ccn(N)c(=N)n1O;VOBZBFGBSPZTQP-UHFFFAOYSA-N;141.13;-1.8;;;;;DOPC;MDCG;27;1;"MARTINI bead: SP3_SP2";;;;;;;-2.2;;-6.68;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM400538;MM400538;CCC(C=O)C(CO)CF;PDXVUPIXNDNSRX-UHFFFAOYSA-N;148.18;0.79;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_C5";;;;;;;0.54;;-1.09;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM400539;MM400539;Nn1c(=O)[nH]n(O)c1=O;YJNBIQIZOXDNNJ-UHFFFAOYSA-N;132.08;-2.71;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP4_SP3";;;;;;;-3.15;;-10.21;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM400540;MM400540;C=CC(CF)C(CF)CF;XXUHNRUYOKKAIN-UHFFFAOYSA-N;152.16;2.31;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_C5";;;;;;;1.64;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM400541;MM400541;NN=c1[nH]nc(N)c(=O)o1;JUXPHWBGGYEMND-UHFFFAOYSA-N;143.11;-2.28;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP3_SP3";;;;;;;-3.07;;-9.99;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM400542;MM400542;C=CC(NC)C(CC)CF;QCQHMXWYBQCDNF-UHFFFAOYSA-N;145.22;1.76;;;;;DOPC;MDCG;27;1;"MARTINI bead: C1_P2";;;;;;;1.8;;-1.2;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM400543;MM400543;C=CC(ON=C)C(=O)O;MGXRWGIWEKJZDW-UHFFFAOYSA-N;129.12;0.26;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_C5";;;;;;;0.81;;-4.7;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM400544;MM400544;C=CC(NC)C(CN)CF;RVGZTCQQIVCRIB-UHFFFAOYSA-N;146.21;0.3;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nda_P2";;;;;;;-0.24;;-5.81;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM400545;MM400545;N=c1cc(O)oc(=O)cn1;RPAKHLKXFQFRGI-UHFFFAOYSA-N;140.1;-0.78;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP2_SP2";;;;;;;-1.34;;-8.49;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM400546;MM400546;C=CC(NC)C(CO)CO;PUUBPLTTWPFREP-UHFFFAOYSA-N;145.2;-0.64;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_P3";;;;;;;-1.1;;-5.58;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM400547;MM400547;O=CC1(CC(=O)O)CN1;MVLXBEPOKLVSCU-UHFFFAOYSA-N;129.12;-1;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_SP2";;;;;;;-1.06;;-8;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM400548;MM400548;C=C1CC(C)(O)C=C1C;OLIMORIYGTUKSP-UHFFFAOYSA-N;124.18;1.64;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC3_SNda";;;;;;;2.57;;0.44;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM400549;MM400549;O=CCCC=C(F)C(=O)O;GWJHLTWQIAFFMN-UHFFFAOYSA-N;146.12;0.9;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_C5";;;;;;;0.81;;-4.71;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM400550;MM400550;CCC(CO)C(C=O)OC;KYQHTCAONZRCOK-UHFFFAOYSA-N;146.19;0.22;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda_P1";;;;;;;0.04;;-2.73;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM400551;MM400551;Cn1ncc(=N)n(C)c1=N;JTJHRVLYMRISNL-UHFFFAOYSA-N;139.16;-1.28;;;;;DOPC;MDCG;27;1;"MARTINI bead: SP3_SP3";;;;;;;-3.07;;-7.37;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM400552;MM400552;COC(C#N)C(CO)CF;HDHYPRQHVDBADH-UHFFFAOYSA-N;147.15;0.1;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_Na";;;;;;;-0.24;;-3.24;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM400553;MM400553;C=CC(CF)C(CN)NC;UQOKWZPELUCRJB-UHFFFAOYSA-N;146.21;0.3;;;;;DOPC;MDCG;27;1;"MARTINI bead: P3_C5";;;;;;;-0.33;;-4.54;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM400554;MM400554;Cn1ncc(=O)n(C)c1=N;QZWJQNFTQRCMOG-UHFFFAOYSA-N;140.15;-1.4;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP3_SP3";;;;;;;-3.07;;-6.15;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM400555;MM400555;Cn1c(=O)cnn(N)c1=N;JBNQIQWJTVFSDM-UHFFFAOYSA-N;141.13;-2.22;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP3_SP3";;;;;;;-3.07;;-6.15;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM400556;MM400556;C=CC(CC)C(CF)NC;FNUGSTHVTWBGRR-UHFFFAOYSA-N;145.22;1.76;;;;;DOPC;MDCG;27;1;"MARTINI bead: C1_P1";;;;;;;2.08;;-0.19;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM400557;MM400557;Cn1c(=O)cnn(O)c1=N;SRRFTNAMIVLBNM-UHFFFAOYSA-N;142.12;-1.7;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP3_SP3";;;;;;;-3.07;;-6.15;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM400558;MM400558;CCC(C=O)C(CF)NC;GBEVZKHRDWPRDQ-UHFFFAOYSA-N;147.19;0.77;;;;;DOPC;MDCG;27;1;"MARTINI bead: C5_P2";;;;;;;0.54;;-2.22;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM400559;MM400559;Cn1ncc(=N)n(C)c1=O;DEDBDKGMTWXWMW-UHFFFAOYSA-N;140.15;-1.4;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP2_SP3";;;;;;;-2.2;;-5.19;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM400560;MM400560;C=CC(CN)C(CF)NC;NWVDFUSFCFMULA-UHFFFAOYSA-N;146.21;0.3;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nda_P2";;;;;;;-0.24;;-5.76;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM400561;MM400561;Cn1ncc(=O)n(C)c1=O;IVFPHZYXZYQYNI-UHFFFAOYSA-N;141.13;-1.52;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP2_SP3";;;;;;;-2.2;;-5.19;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM400562;MM400562;C=CC(CF)C(CF)NC;CEWCGMHBRBXQEC-UHFFFAOYSA-N;149.18;1.32;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1_C5";;;;;;;0.81;;-1.89;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM400563;MM400563;CCC(=CC=O)C(=O)O;HNXWTHGWCGDLKB-UHFFFAOYSA-N;128.13;0.61;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_P1";;;;;;;0.81;;-4.71;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM400564;MM400564;COC(CO)C(C#N)CO;SAKPVFAKGOLZQM-UHFFFAOYSA-N;145.16;-0.87;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_P2";;;;;;;-1.34;;-4.31;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM400565;MM400565;Cn1ncc(=O)n(N)c1=N;OJGIRGAJMHMDAZ-UHFFFAOYSA-N;141.13;-2.22;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP5_SP3";;;;;;;-3.08;;-7.6;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM400566;MM400566;COC(CO)C(C#N)CF;BTTPOLWMYTYPCG-UHFFFAOYSA-N;147.15;0.1;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_Na";;;;;;;-0.24;;-3.24;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM400567;MM400567;N=c1n(N)ncc(=O)n1N;FSLPIPQAOTVTKX-UHFFFAOYSA-N;142.12;-3.05;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP3_SP5";;;;;;;-3.08;;-7.6;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM400568;MM400568;COC(CF)C(C#N)CO;IWYORLGIGGTUCN-UHFFFAOYSA-N;147.15;0.1;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_P2";;;;;;;-0.24;;-3.24;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM400569;MM400569;N=c1nc(N)nnn1N;FULKUAHALRZEKF-UHFFFAOYSA-N;127.11;-2.55;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP2_SP3";;;;;;;-2.2;;-5.19;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM400570;MM400570;CCC(OC)C(C#N)NC;GWBGSEZFIVBBMH-UHFFFAOYSA-N;142.2;0.52;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_P2";;;;;;;0.54;;-1.09;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM400571;MM400571;Cn1ncc(=N)n(N)c1=O;MQKBFBWKNZKDPL-UHFFFAOYSA-N;141.13;-2.22;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP2_SP3";;;;;;;-2.2;;-5.19;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM400572;MM400572;COC(=N)NC(C)=NN;CWDNDZMNSYHCOU-UHFFFAOYSA-N;130.15;-0.55;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_P2";;;;;;;-1.06;;-3.82;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM400573;MM400573;N=c1cnn(N)c(=O)n1N;NWEILCPVPJQMSM-UHFFFAOYSA-N;142.12;-3.05;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP3_SP3";;;;;;;-3.07;;-6.15;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM400574;MM400574;C=CC(OC)C(CO)OC;WNKBPOVJXVYYOI-UHFFFAOYSA-N;146.19;0.19;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_Na";;;;;;;-0.24;;-3.24;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM400575;MM400575;Cn1ncc(=O)n(N)c1=O;FYMOAUJUDUFVGH-UHFFFAOYSA-N;142.12;-2.34;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP5_SP2";;;;;;;-2.22;;-6.53;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM400576;MM400576;COC(C=O)C(CO)OC;TXGGZPPYZLJEJP-UHFFFAOYSA-N;148.16;-0.79;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_P1";;;;;;;-1.06;;-3.82;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM400577;MM400577;C=Cc1n[nH]c(C)c1N;JDACVWHXISYXPT-UHFFFAOYSA-N;123.16;0.94;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP1_SNda";;;;;;;0.04;;-2.73;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM400578;MM400578;COC(OC)C(C=O)CO;UGUPDPWQNKYWKD-UHFFFAOYSA-N;148.16;-0.59;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_P2";;;;;;;-1.06;;-3.82;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM400579;MM400579;CC(C=O)=C(C)C(=O)O;HLFIROOBCUFLFC-UHFFFAOYSA-N;128.13;0.61;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_C5";;;;;;;0.54;;-5.26;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM400580;MM400580;C=CC(CF)C(OC)OC;RYGKQDMSVYSCML-UHFFFAOYSA-N;148.18;1.38;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_C5";;;;;;;0.81;;-0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM400581;MM400581;O=CNC=CC(=O)O;FGNCYUHQCCULOW-UHFFFAOYSA-N;115.09;-0.67;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda_P3";;;;;;;-1.1;;-7.99;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM400582;MM400582;CNC(C#N)C(OC)OC;WWZYBOJQIOQCNZ-UHFFFAOYSA-N;144.17;-0.28;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_Na";;;;;;;-0.24;;-3.24;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM400583;MM400583;O=CN(C=O)OCC(=O)O;JTOLCLVNVRMCQJ-UHFFFAOYSA-N;147.09;-1.38;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_P2";;;;;;;-1.06;;-8;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM400584;MM400584;C=NN(CC)C(CN)CF;RETIXOCZTOGNNM-UHFFFAOYSA-N;147.2;0.22;;;;;DOPC;MDCG;27;1;"MARTINI bead: P2_Na";;;;;;;-0.24;;-4.78;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM400585;MM400585;COCC#CC(O)C(=O)O;CANMPYYSMHAHNT-UHFFFAOYSA-N;144.13;-0.92;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_P2";;;;;;;-0.24;;-7.44;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM400586;MM400586;CCC(CF)N(C=O)NC;SYIFHMRHSJFBHX-UHFFFAOYSA-N;148.18;0.33;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_P1";;;;;;;0.04;;-2.54;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM400587;MM400587;COCC(C(=O)O)=C(F)F;AEDQSLRRMVOZBR-UHFFFAOYSA-N;152.1;0.87;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_C5";;;;;;;0.81;;-4.71;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM400588;MM400588;CNN(C=N)C(CO)CO;TZKHOUJLDBGNNN-UHFFFAOYSA-N;147.18;-1.62;;;;;DOPC;MDCG;27;1;"MARTINI bead: P4_P3";;;;;;;-3.15;;-8.05;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM400589;MM400589;O=C(O)CC#CC(=O)CO;OUZPYVSFMRDDOX-UHFFFAOYSA-N;142.11;-0.97;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_P1";;;;;;;-1.06;;-8;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM400590;MM400590;CC=NN=C(N)C(C)=O;OEMBFFBSJNLXOY-UHFFFAOYSA-N;127.15;-0.06;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nd_Na";;;;;;;0.87;;-1.88;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM400591;MM400591;CC(O)C(=O)C(C#N)=NO;NYHVLMZSDIRRAX-UHFFFAOYSA-N;142.11;-0.71;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_P1";;;;;;;-0.79;;-7.38;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM400592;MM400592;CCC(CO)N(C=O)OC;RENHIVHXCAUULQ-UHFFFAOYSA-N;147.17;-0.22;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda_P2";;;;;;;-0.24;;-3.31;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM400593;MM400593;CC(O)C#CC(O)C(=O)O;ARUAZWQYUXWNPA-UHFFFAOYSA-N;144.13;-1.18;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_P2";;;;;;;-1.06;;-8;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM400594;MM400594;C=CC(CN)N(CC)CC;DEDFGGMNLGWXNC-UHFFFAOYSA-N;142.25;0.84;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_Nd";;;;;;;0.87;;-4.21;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM400595;MM400595;Cn1cnc(=N)n(C)c1=N;TXZCINNDQUUMNV-UHFFFAOYSA-N;139.16;-1.28;;;;;DOPC;MDCG;27;1;"MARTINI bead: SP3_SP3";;;;;;;-3.07;;-10.23;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM400596;MM400596;C#CC(CO)C(CC)CN;IELSZOGXLSQOHL-UHFFFAOYSA-N;141.21;0.21;;;;;DOPC;MDCG;27;1;"MARTINI bead: C4_P3";;;;;;;0.23;;-3.47;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM400597;MM400597;Cn1c(=N)ncn(N)c1=N;JSGJMDNXFVBVKO-UHFFFAOYSA-N;140.15;-2.11;;;;;DOPC;MDCG;27;1;"MARTINI bead: SP3_SP3";;;;;;;-3.07;;-10.04;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM400598;MM400598;C#CC(CO)C(CC)CO;XIOFHPSHWFKRDB-UHFFFAOYSA-N;142.2;0.25;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4_P3";;;;;;;0.23;;-1.03;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM400599;MM400599;Cn1c(=N)ncn(O)c1=N;JYACYDHUHYHEHI-UHFFFAOYSA-N;141.13;-1.58;;;;;DOPC;MDCG;27;1;"MARTINI bead: SP3_SP3";;;;;;;-3.07;;-9.11;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM400600;MM400600;C#CC(CF)C(CF)CF;SGPRJSKWOLFQMC-UHFFFAOYSA-N;150.14;1.76;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_Na";;;;;;;0.87;;-2.22;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM400601;MM400601;Cn1cnc(=O)n(C)c1=N;PMQZPCNMVWUQIP-UHFFFAOYSA-N;140.15;-1.4;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP3_SP3";;;;;;;-3.07;;-6.15;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM400602;MM400602;C#CC(NC)C(CC)CF;REKGBRCNAGNTRY-UHFFFAOYSA-N;143.21;1.2;;;;;DOPC;MDCG;27;1;"MARTINI bead: C4_P2";;;;;;;1.09;;-2.12;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM400603;MM400603;Cn1c(=O)ncn(N)c1=N;WXXHMDCJOBSFLA-UHFFFAOYSA-N;141.13;-2.22;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP3_SP3";;;;;;;-3.07;;-6.15;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM400604;MM400604;C#CC(OC)C(CC)CN;HFRASTAAAHCXFX-UHFFFAOYSA-N;141.21;0.62;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_Na";;;;;;;0.87;;-4.58;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM400605;MM400605;Cn1c(=O)ncn(O)c1=N;ZYVSGOMCQLGWLT-UHFFFAOYSA-N;142.12;-1.7;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP3_SP3";;;;;;;-3.07;;-6.15;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM400606;MM400606;C#CC(OC)C(CO)CO;NQLXLUQKEHWULN-UHFFFAOYSA-N;144.17;-0.76;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_P3";;;;;;;-1.1;;-4.2;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM400607;MM400607;Cn1cnc(=N)n(C)c1=O;ZXAHQOWDMMHTDP-UHFFFAOYSA-N;140.15;-1.4;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP3_SP3";;;;;;;-3.07;;-6.15;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM400608;MM400608;C#CC(CF)C(CO)NC;HHISTHAMVCISTR-UHFFFAOYSA-N;145.18;-0.21;;;;;DOPC;MDCG;27;1;"MARTINI bead: P2_Na";;;;;;;-0.24;;-5.12;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM400609;MM400609;Cn1c(=N)ncn(N)c1=O;GGDIAFFNPIELPF-UHFFFAOYSA-N;141.13;-2.22;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP3_SP4";;;;;;;-3.15;;-6.87;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM400610;MM400610;C#CC(NC)C(CC)NC;GAMSICSQKYSLPD-UHFFFAOYSA-N;140.23;0.21;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_P2";;;;;;;-0.24;;-5.16;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM400611;MM400611;C=NN=C(C(=C)F)C(=O)O;RTJZVBRSCYCUGR-UHFFFAOYSA-N;144.11;0.61;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_C5";;;;;;;0.54;;-5.26;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM400612;MM400612;C#CC(CO)C(CC)OC;YFCLMXZMCATQEV-UHFFFAOYSA-N;142.2;0.65;;;;;DOPC;MDCG;27;0;"MARTINI bead: C3_P3";;;;;;;0.6;;-0.8;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM400613;MM400613;Cn1cnc(=O)n(C)c1=O;WNWFNIVXSSVVOC-UHFFFAOYSA-N;141.13;-1.52;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP3_SP3";;;;;;;-3.07;;-6.15;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM400614;MM400614;C#CC(CC)C(CO)OC;RSIAGNSZIBAAIP-UHFFFAOYSA-N;142.2;0.65;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4_P3";;;;;;;0.23;;-1.03;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM400615;MM400615;Cn1c(=O)ncn(N)c1=O;FZTUGDUQNMKDSM-UHFFFAOYSA-N;142.12;-2.34;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP3_SP4";;;;;;;-3.15;;-6.87;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM400616;MM400616;C#CC(CO)C(CO)OC;YSDHJUXPAPHLBE-UHFFFAOYSA-N;144.17;-0.76;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda_P3";;;;;;;-1.1;;-3.97;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM400617;MM400617;C=C(CO)CC(=O)C(=O)O;IYCMAYIMTCREBK-UHFFFAOYSA-N;144.13;-0.42;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda_P2";;;;;;;-0.24;;-7.49;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM400618;MM400618;C#CC(CF)C(CO)OC;UNHGBQNSBQZDCA-UHFFFAOYSA-N;146.16;0.21;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_Na";;;;;;;-0.24;;-3.24;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM400619;MM400619;Cn1cnc(=N)n(N)c1=N;WGNXKJANZUMCGL-UHFFFAOYSA-N;140.15;-2.11;;;;;DOPC;MDCG;27;1;"MARTINI bead: SP3_SP3";;;;;;;-3.07;;-9.64;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM400620;MM400620;C#CC(OC)C(CO)OC;JTSLLVBRZFBSRT-UHFFFAOYSA-N;144.17;-0.36;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_Na";;;;;;;-0.24;;-3.24;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM400621;MM400621;N=c1ncn(N)c(=N)n1N;GVPDGDKGKILQKP-UHFFFAOYSA-N;141.14;-2.93;;;;;DOPC;MDCG;27;1;"MARTINI bead: SP3_SP3";;;;;;;-3.07;;-8.74;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM400622;MM400622;C#CC(CO)N(CC)CC;VBSSMAFTUXHQTO-UHFFFAOYSA-N;141.21;0.32;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_Nda";;;;;;;0.87;;-3.22;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM400623;MM400623;N=c1ncn(O)c(=N)n1N;AXFKFTZZXFFXGB-UHFFFAOYSA-N;142.12;-2.41;;;;;DOPC;MDCG;27;1;"MARTINI bead: SP3_SP3";;;;;;;-3.07;;-7.38;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM400624;MM400624;C=CC(C=O)C(CC)CF;CXMCXLMEWABCCP-UHFFFAOYSA-N;144.19;1.98;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4_Na";;;;;;;2.2;;0.34;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM400625;MM400625;Cn1cnc(=O)n(N)c1=N;RGFAZROPEKWPTO-UHFFFAOYSA-N;141.13;-2.22;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP4_SP3";;;;;;;-3.15;;-6.87;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM400626;MM400626;C=CC(C=C)C(CN)CF;JYQHXSLUISVJQL-UHFFFAOYSA-N;143.21;1.52;;;;;DOPC;MDCG;27;1;"MARTINI bead: Na_C5";;;;;;;1.64;;-2.65;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM400627;MM400627;N=c1n(N)cnc(=O)n1N;NMWKUGHFVFYIJG-UHFFFAOYSA-N;142.12;-3.05;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP4_SP3";;;;;;;-3.15;;-6.87;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM400628;MM400628;C=CC(C=C)C(CO)CO;QTVYEJRJDYSJAR-UHFFFAOYSA-N;142.2;0.58;;;;;DOPC;MDCG;27;0;"MARTINI bead: P3_C4";;;;;;;0.23;;-1.03;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM400629;MM400629;N=c1n(O)cnc(=O)n1N;VURPAGFUUSJPRB-UHFFFAOYSA-N;143.11;-2.52;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP4_SP3";;;;;;;-3.15;;-6.87;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM400630;MM400630;C=CC(C=O)C(CF)CF;ZYTVFDLPCWKOSM-UHFFFAOYSA-N;148.15;1.54;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_Na";;;;;;;0.87;;-2.22;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM400631;MM400631;Cn1cnc(=N)n(N)c1=O;OWINPVMJQFTQRF-UHFFFAOYSA-N;141.13;-2.22;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP3_SP3";;;;;;;-3.07;;-6.15;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM400632;MM400632;C=CC(C=C)C(CF)NC;UQAQJDOGDMRMBP-UHFFFAOYSA-N;143.21;1.53;;;;;DOPC;MDCG;27;1;"MARTINI bead: Na_Nd";;;;;;;0.87;;-3.53;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM400633;MM400633;N=c1ncn(N)c(=O)n1N;LPLLOHHFOPQSKS-UHFFFAOYSA-N;142.12;-3.05;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP4_SP3";;;;;;;-3.15;;-6.87;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM400634;MM400634;C=CC(C=O)C(CF)NC;ZLUNUJSMJWIXRE-UHFFFAOYSA-N;145.18;0.55;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nda_P2";;;;;;;-0.24;;-4.35;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM400635;MM400635;C=NN=C(C(=O)O)N(C)O;ROKKPNRWGRBFPU-UHFFFAOYSA-N;145.12;-0.59;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_P1";;;;;;;-0.79;;-7.38;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM400636;MM400636;CCC(OC)C(C#N)C=O;POKMHOUUYXIWRI-UHFFFAOYSA-N;141.17;0.75;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_Na";;;;;;;0.87;;-2.22;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM400637;MM400637;Cn1cnc(=O)n(N)c1=O;JTAVFEBYEBXZST-UHFFFAOYSA-N;142.12;-2.34;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP4_SP3";;;;;;;-3.15;;-6.87;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM400638;MM400638;CCC(OC)C(C#N)C#N;IGCVZMPWBSLYNK-UHFFFAOYSA-N;138.17;1.07;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_P1";;;;;;;0.81;;-0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM400639;MM400639;Nn1cnc(=O)n(N)c1=O;PQIBRANYGOBYQN-UHFFFAOYSA-N;143.11;-3.17;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP4_SP4";;;;;;;-3.24;;-7.51;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM400640;MM400640;C=CC(C#N)C(CO)OC;BXBMSKSETNXDHZ-UHFFFAOYSA-N;141.17;0.32;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_N0";;;;;;;0.06;;-2.21;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM400641;MM400641;Cn1[nH]c(F)c(N)c1=O;HYVAMWJDQJHTRS-UHFFFAOYSA-N;131.11;-0.57;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNda_SP3";;;;;;;-1.1;;-7.99;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM400642;MM400642;C=CC(C#N)C(OC)OC;FOJDZMGSXGBMQI-UHFFFAOYSA-N;141.17;0.93;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_N0";;;;;;;0.34;;-1.53;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM400643;MM400643;Cn1cnc(=N)n(O)c1=N;FQGXAVFNHWJATM-UHFFFAOYSA-N;141.13;-1.58;;;;;DOPC;MDCG;27;1;"MARTINI bead: SP3_SP3";;;;;;;-3.07;;-9.35;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM400644;MM400644;COC(OC)C(C#N)C=O;DMTKEBTZTJTEJX-UHFFFAOYSA-N;143.14;-0.06;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_P2";;;;;;;-0.24;;-3.24;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM400645;MM400645;N=c1ncn(N)c(=N)n1O;CDYOXNAGKJXRBM-UHFFFAOYSA-N;142.12;-2.41;;;;;DOPC;MDCG;27;1;"MARTINI bead: SP3_SP3";;;;;;;-3.07;;-8.37;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM400646;MM400646;C=CN(C=N)C(CC)CN;HJCRHXMBDXJUNL-UHFFFAOYSA-N;141.22;0.78;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_P2";;;;;;;-0.24;;-6.48;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM400647;MM400647;CNN=C(OC)C(=O)O;LMWVLKLNHHEQRD-UHFFFAOYSA-N;132.12;-0.75;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_P1";;;;;;;-0.79;;-7.38;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM400648;MM400648;CCC(CO)N(C=N)C=N;HUNDMQHPVOTWOW-UHFFFAOYSA-N;143.19;0.27;;;;;DOPC;MDCG;27;1;"MARTINI bead: C5_P3";;;;;;;-0.33;;-3.19;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM400649;MM400649;N#CCc1nnn[nH]1;XONQDQHBPSHLPD-UHFFFAOYSA-N;109.09;-0.73;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP1_SP1";;;;;;;-0.79;;-7.38;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM400650;MM400650;CCC(CF)N(C=N)C=N;QGEACPUHJHJSKI-UHFFFAOYSA-N;145.18;1.25;;;;;DOPC;MDCG;27;1;"MARTINI bead: C4_P4";;;;;;;0.15;;-3.23;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM400651;MM400651;COC(=NO)C(O)C(=O)O;ZKQRPVKQYFGJGD-UHFFFAOYSA-N;149.1;-1.13;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_P2";;;;;;;-1.34;;-8.5;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM400652;MM400652;CCC(CF)N(C=N)C=O;PFGAGFHMVVLSTN-UHFFFAOYSA-N;146.17;0.8;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda_P2";;;;;;;-0.24;;-3.31;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM400653;MM400653;O=C(O)C(O)C=NO;QZLKCVOCMSPGSO-UHFFFAOYSA-N;119.08;-1.11;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_P1";;;;;;;-1.06;;-8;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM400654;MM400654;CCC(CF)N(C=O)C=O;JUCMOOPAWMDPSP-UHFFFAOYSA-N;147.15;0.35;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_P1";;;;;;;0.04;;-2.54;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM400655;MM400655;NN=c1cn[nH]n1O;IXECVSWEPZXHQL-UHFFFAOYSA-N;115.1;-1.78;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP3_SP2";;;;;;;-2.2;;-9.18;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM400656;MM400656;C=CN(C=N)C(CO)CO;CQMZHJMORCYXHD-UHFFFAOYSA-N;144.17;-0.61;;;;;DOPC;MDCG;27;1;"MARTINI bead: P3_P2";;;;;;;-2.2;;-7.67;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM400657;MM400657;NC=NN(C=O)CC(=O)O;AMKCEOWFPLWZJH-UHFFFAOYSA-N;145.12;-1.57;;;;;DOPC;MDCG;27;0;"MARTINI bead: P3_P1";;;;;;;-1.93;;-8.67;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM400658;MM400658;C=CC(=O)C(C)ON=C;KNLIVDBPMIZPPR-UHFFFAOYSA-N;127.14;0.76;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_Na";;;;;;;0.87;;-2.22;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM400659;MM400659;C#CCOC(N)=CC(=O)O;SEDQSZZETWOHSR-UHFFFAOYSA-N;141.13;-0.48;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_N0";;;;;;;0.06;;-6.38;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM400660;MM400660;O=CN(C=O)C(CO)CO;BWUWTWOPKNUOAD-UHFFFAOYSA-N;147.13;-2.05;;;;;DOPC;MDCG;27;0;"MARTINI bead: P4_P2";;;;;;;-2.29;;-5.95;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM400661;MM400661;CC1C(C)N1CC(=O)O;ZOPYVMXAPFIKNR-UHFFFAOYSA-N;129.16;0.16;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNd_P1";;;;;;;0.04;;-6.86;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM400662;MM400662;C=NN(C=O)C(CC)CN;XPZZBDRMEMNGBT-UHFFFAOYSA-N;143.19;-0.2;;;;;DOPC;MDCG;27;1;"MARTINI bead: C5_P3";;;;;;;-0.33;;-3.42;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM400663;MM400663;CC1(C)CN1CC(=O)O;BGYPZEUHNYCCOQ-UHFFFAOYSA-N;129.16;0.17;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNd_P1";;;;;;;0.04;;-6.86;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM400664;MM400664;CN(C=N)C(=O)CCF;JZJMMFSJXJHIAQ-UHFFFAOYSA-N;132.14;0.41;;;;;DOPC;MDCG;27;0;"MARTINI bead: P3_C5";;;;;;;-0.33;;-2.01;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM400665;MM400665;Cn1nnc(=N)n(C)c1=N;PGODGNYTZZAQRX-UHFFFAOYSA-N;140.15;-1.89;;;;;DOPC;MDCG;27;1;"MARTINI bead: SP3_SP3";;;;;;;-3.07;;-7.56;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM400666;MM400666;CCC(=O)C(C)=NNC;QDRWEBHMDPXSJR-UHFFFAOYSA-N;128.18;0.56;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_Nd";;;;;;;0.87;;-1.88;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM400667;MM400667;Cn1nnc(=O)n(C)c1=N;BTYJWVPEPSUKFM-UHFFFAOYSA-N;141.13;-2.01;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP3_SP3";;;;;;;-3.07;;-6.15;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM400668;MM400668;C#CC(C=C)C(CN)CN;FPGQVCCRMHTRPI-UHFFFAOYSA-N;138.21;-0.04;;;;;DOPC;MDCG;27;1;"MARTINI bead: P3_C5";;;;;;;-0.33;;-4.68;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM400669;MM400669;Cn1c(=O)nnn(N)c1=N;WMJIJCAOXVJGRR-UHFFFAOYSA-N;142.12;-2.83;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP3_SP3";;;;;;;-3.07;;-6.15;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM400670;MM400670;C#CC(C=C)C(CN)CF;LDIWTVIVSMULIY-UHFFFAOYSA-N;141.19;0.97;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1_C5";;;;;;;0.81;;-3.17;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM400671;MM400671;Cn1c(=O)nnn(O)c1=N;OOJXJMPDICNUOA-UHFFFAOYSA-N;143.11;-2.31;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP3_SP3";;;;;;;-3.07;;-6.15;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM400672;MM400672;C#CC(C=C)C(CO)CO;UQUOFYKOUAOIDO-UHFFFAOYSA-N;140.18;0.02;;;;;DOPC;MDCG;27;0;"MARTINI bead: P3_C5";;;;;;;-0.33;;-2.01;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM400673;MM400673;Cn1nnc(=N)n(C)c1=O;SFKZNWDMAIGZKE-UHFFFAOYSA-N;141.13;-2.01;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP3_SP3";;;;;;;-3.07;;-6.15;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM400674;MM400674;C#CC(C#N)C(OC)OC;LVZZJQHNPUBIMT-UHFFFAOYSA-N;139.15;0.38;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_N0";;;;;;;0.34;;-1.53;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM400675;MM400675;Cn1c(=N)nnn(N)c1=O;LCRLIXGXIGBOHV-UHFFFAOYSA-N;142.12;-2.83;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP3_SP4";;;;;;;-3.15;;-6.87;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM400676;MM400676;CCC1(O)C=CC=C1C;HKCWFZGCAQSAIW-UHFFFAOYSA-N;124.18;1.64;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC5_SC5";;;;;;;2.41;;0.64;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM400677;MM400677;C=CC1(C(=O)NOC)CN1;XUTKZOILMJSVRJ-UHFFFAOYSA-N;142.16;-0.81;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_SP1";;;;;;;-1.06;;-8;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM400678;MM400678;C#CC(C#C)C(CN)CO;HICPUQCADSNWJS-UHFFFAOYSA-N;137.18;-0.56;;;;;DOPC;MDCG;27;1;"MARTINI bead: P2_Nda";;;;;;;-0.24;;-5.68;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM400679;MM400679;Cn1nnc(=O)n(C)c1=O;ZLFQZVDBVRXONF-UHFFFAOYSA-N;142.12;-2.13;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP3_SP3";;;;;;;-3.07;;-6.15;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM400680;MM400680;C#CC(C#C)C(CN)CF;HPNMIPODXOUSNL-UHFFFAOYSA-N;139.17;0.41;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1_N0";;;;;;;0.34;;-4.2;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM400681;MM400681;Cn1c(=O)nnn(N)c1=O;CHVFMOIDKDWFPR-UHFFFAOYSA-N;143.11;-2.95;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP3_SP4";;;;;;;-3.15;;-6.87;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM400682;MM400682;C#CC(C#C)C(CN)OC;WEWIXKNCPGMPPK-UHFFFAOYSA-N;137.18;-0.16;;;;;DOPC;MDCG;27;1;"MARTINI bead: P2_N0";;;;;;;0.06;;-4.22;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM400683;MM400683;O=C(O)C(=O)CCC=CF;RJGWWUBVLFCGRT-UHFFFAOYSA-N;146.12;0.9;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_C5";;;;;;;0.81;;-4.72;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM400684;MM400684;C=CC(CC)C(C=C)CN;WXDMSEIWPYDBFF-UHFFFAOYSA-N;139.24;1.96;;;;;DOPC;MDCG;27;1;"MARTINI bead: C1_Nd";;;;;;;2.91;;-0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM400685;MM400685;C#Cc1[nH]cc(C)c1N;LAHAGWRFKYHXKD-UHFFFAOYSA-N;120.16;0.89;;;;;DOPC;MDCG;27;0;"MARTINI bead: SN0_SNd";;;;;;;1.17;;-1.04;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM400686;MM400686;C=CC(CC)C(C=O)CO;ARIIAGMGQFUFTH-UHFFFAOYSA-N;142.2;1.01;;;;;DOPC;MDCG;27;0;"MARTINI bead: C3_P3";;;;;;;0.6;;-0.8;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM400687;MM400687;C=CC(CC)C(C#N)CO;OFQYWUIUXHGRJQ-UHFFFAOYSA-N;139.2;1.33;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1_P2";;;;;;;1.8;;0.4;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM400688;MM400688;Cn1nnc(=O)n(N)c1=N;SRZWNZYWFUEHPD-UHFFFAOYSA-N;142.12;-2.83;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP4_SP3";;;;;;;-3.15;;-6.87;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM400689;MM400689;CCC(C=O)C(C=O)CC;XGJHESDPXNAEHL-UHFFFAOYSA-N;142.2;1.44;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_C5";;;;;;;2.41;;0.64;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM400690;MM400690;N=c1n(N)nnc(=O)n1N;HSYOYCDIQNYUDB-UHFFFAOYSA-N;143.11;-3.65;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP3_SP4";;;;;;;-3.15;;-6.87;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM400691;MM400691;C=CC(CF)C(C=O)CC;IBSXJLHTBHBRPZ-UHFFFAOYSA-N;144.19;1.98;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_C5";;;;;;;2.41;;0.64;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM400692;MM400692;N=c1n(O)nnc(=O)n1N;BIIUUMUVUYYHIW-UHFFFAOYSA-N;144.09;-3.13;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP3_SP4";;;;;;;-3.15;;-6.87;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM400693;MM400693;C=CC(CN)C(C=C)CF;KIERRANMGZRZLH-UHFFFAOYSA-N;143.21;1.52;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_C5";;;;;;;1.64;;-2.65;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM400694;MM400694;Cn1nnc(=N)n(N)c1=O;QLWITXADGQOELJ-UHFFFAOYSA-N;142.12;-2.83;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP3_SP3";;;;;;;-3.07;;-6.15;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM400695;MM400695;C=CC(CO)C(C=C)CO;FTWXIOUHMZYEAY-UHFFFAOYSA-N;142.2;0.58;;;;;DOPC;MDCG;27;0;"MARTINI bead: P3_C4";;;;;;;0.23;;-1.03;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM400696;MM400696;N=c1nnn(N)c(=O)n1N;DFUHPUOIPHPRFC-UHFFFAOYSA-N;143.11;-3.65;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP4_SP3";;;;;;;-3.15;;-6.87;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM400697;MM400697;C=CC(CO)C(C#N)CO;CHHADJSFQCBNCO-UHFFFAOYSA-N;141.17;-0.09;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda_P2";;;;;;;-0.24;;-3.31;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM400698;MM400698;C=C(CC)NC(=O)C(=O)O;ROXBORFWWAGEQJ-UHFFFAOYSA-N;143.14;0.11;;;;;DOPC;MDCG;27;0;"MARTINI bead: C3_P3";;;;;;;0.6;;-4.68;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM400699;MM400699;O=CC(CO)C(C=O)CO;KJWQAKXSVWGICV-UHFFFAOYSA-N;146.14;-1.4;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_P2";;;;;;;-1.34;;-4.31;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM400700;MM400700;Cn1nnc(=O)n(N)c1=O;LYVFYBZPHYXHPP-UHFFFAOYSA-N;143.11;-2.95;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP4_SP3";;;;;;;-3.15;;-6.87;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM400701;MM400701;N#CC(CO)C(C#N)CO;RNWRTOUJBPDVDK-UHFFFAOYSA-N;140.14;-0.75;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_P2";;;;;;;-1.34;;-4.31;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM400702;MM400702;Nn1nnc(=O)n(N)c1=O;YRZIUWAXGAWRMM-UHFFFAOYSA-N;144.09;-3.77;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP4_SP4";;;;;;;-3.24;;-7.51;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM400703;MM400703;C=C(C)C1(CO)CCC1;GAPQKDWNCPCZSD-UHFFFAOYSA-N;126.2;1.73;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC5_SC4";;;;;;;2.97;;0.45;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM400704;MM400704;CC(C)=CNC(=O)C(=O)O;AZHMZCQBNZGZDT-UHFFFAOYSA-N;143.14;0.11;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda_P1";;;;;;;0.04;;-6.96;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM400705;MM400705;COC(C=O)C(C=O)CO;DNZJJFRZBRJEMI-UHFFFAOYSA-N;146.14;-0.99;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_P2";;;;;;;-1.06;;-3.82;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM400706;MM400706;C#CCC(O)C1CC1C;LCVDWSXCRSBTJP-UHFFFAOYSA-N;124.18;1.03;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC5_Nda";;;;;;;1.64;;0.05;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM400707;MM400707;COC(C#N)C(C#N)CO;TWOXIFDKYOJHLU-UHFFFAOYSA-N;140.14;-0.34;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_P2";;;;;;;-1.06;;-3.82;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM400708;MM400708;C#CC(=NN)NC=CF;ZGXMUBNBYUSZGU-UHFFFAOYSA-N;127.12;-0.08;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_C5";;;;;;;0.54;;-1.09;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM400709;MM400709;C=CC(CF)C(C=O)OC;DIXSPVPPBMWJRV-UHFFFAOYSA-N;146.16;0.97;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_C5";;;;;;;0.81;;-0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM400710;MM400710;N#CC(=NO)NC(=O)C=O;HQHVIJJRKOECCX-UHFFFAOYSA-N;141.09;-1.39;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_Na";;;;;;;-0.24;;-7.45;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM400711;MM400711;C=CC(NC)C(C=O)OC;KEADFDKXMBKNOK-UHFFFAOYSA-N;143.19;-0.03;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nda_P2";;;;;;;-0.24;;-4.43;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM400712;MM400712;C=CCC(=CC=O)C(=O)O;BPUANOCDEOFBCH-UHFFFAOYSA-N;140.14;0.77;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_C5";;;;;;;0.81;;-4.72;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM400713;MM400713;CNC(C#N)C(C#N)OC;OJOHZDCQTMKMSD-UHFFFAOYSA-N;139.16;-0.36;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_P1";;;;;;;-1.06;;-3.82;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM400714;MM400714;O=c1[nH]c(=O)n(O)[nH]1;BOXCCWIQBDUNJS-UHFFFAOYSA-N;117.06;-1.9;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP5_SP4";;;;;;;-3.17;;-11.08;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM400715;MM400715;C=CC(OC)C(C=O)OC;VVBBKAZADRBKKL-UHFFFAOYSA-N;144.17;0.4;;;;;DOPC;MDCG;27;0;"MARTINI bead: N0_P1";;;;;;;0.34;;-1.53;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM400716;MM400716;C=Cn1c(O)nncc1=O;UEQCBXMFQNMNJZ-UHFFFAOYSA-N;139.11;-0.56;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP2_SP3";;;;;;;-2.2;;-9.18;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM400717;MM400717;COC(C#N)C(C=O)OC;UEBNYZMKJFWPGO-UHFFFAOYSA-N;143.14;-0.26;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_P2";;;;;;;-0.24;;-3.24;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM400718;MM400718;CC(O)(C(N)=O)C(=O)O;XHKAFQJBUUAEKZ-UHFFFAOYSA-N;133.1;-1.69;;;;;DOPC;MDCG;27;0;"MARTINI bead: P3_P1";;;;;;;-1.93;;-8.68;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM400719;MM400719;C=CC(CO)N(C=N)CC;GSQVGVLPUIKIGE-UHFFFAOYSA-N;142.2;0.46;;;;;DOPC;MDCG;27;1;"MARTINI bead: P2_Nda";;;;;;;-0.24;;-6.3;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM400720;MM400720;CC#CC(=O)C(=O)NOC;XLDGBHZNKLYEFM-UHFFFAOYSA-N;141.13;-0.74;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_C5";;;;;;;0.54;;-5.26;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM400721;MM400721;N=C1NC(=NN)CC1F;ZXWIRPOJSOVXMP-UHFFFAOYSA-N;130.13;-0.43;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNd_SP1";;;;;;;0.04;;-2.63;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM400722;MM400722;C#CC1OC1C(=O)O;PTMUIIQEHLABOV-UHFFFAOYSA-N;112.08;-0.53;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_SNa";;;;;;;0.04;;-6.78;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM400723;MM400723;C=NN(CC)C(C#N)CC;CRRBCRUIKXSEBC-UHFFFAOYSA-N;139.2;1.23;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_P1";;;;;;;0.81;;-0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM400724;MM400724;CONC(=O)C(O)C=O;AZJXDLHMFIDXOL-UHFFFAOYSA-N;133.1;-1.78;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_P2";;;;;;;-1.34;;-8.51;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM400725;MM400725;CN(N)C(=O)C1CN1C;PYFQBZGEQJLEAU-UHFFFAOYSA-N;129.16;-1.37;;;;;DOPC;MDCG;27;0;"MARTINI bead: P4_SP1";;;;;;;-2.01;;-5.13;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM400726;MM400726;C#CC=NN=CC(=O)O;RCECTEQNZQNZHH-UHFFFAOYSA-N;124.1;-0.24;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_N0";;;;;;;0.06;;-6.39;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM400727;MM400727;C#CC(CC)C(C=O)CC;VXAWZTGBHTUQOJ-UHFFFAOYSA-N;138.21;1.87;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_C3";;;;;;;3.34;;0.48;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM400728;MM400728;C=c1ccc(=N)n(C)c1=C;DCFCUGHAXSLWQT-UHFFFAOYSA-N;134.18;-0.67;;;;;DOPC;MDCG;27;1;"MARTINI bead: SNd_SN0";;;;;;;1.17;;-6.29;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM400729;MM400729;C#CC(CF)C(C=O)CC;KYBSCJCDDVFPPT-UHFFFAOYSA-N;142.17;1.43;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_Na";;;;;;;1.64;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM400730;MM400730;C=c1ccc(=O)n(C)c1=C;ZMOMPAKZLAJXFP-UHFFFAOYSA-N;135.17;-0.79;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNa_SN0";;;;;;;1.17;;-1.18;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM400731;MM400731;C#CC(CF)C(C=C)CN;NJQRYUKVEPGGMH-UHFFFAOYSA-N;141.19;0.97;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_Na";;;;;;;0.87;;-4.61;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM400732;MM400732;C=c1ccc(=C)n(C)c1=N;WAKJXDKBQAAXDR-UHFFFAOYSA-N;134.18;-0.67;;;;;DOPC;MDCG;27;1;"MARTINI bead: SC5_SNd";;;;;;;1.64;;-5.25;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM400733;MM400733;C#CC(CN)C(C=C)CO;BEJHZEYGWRVRPM-UHFFFAOYSA-N;139.2;-0.01;;;;;DOPC;MDCG;27;1;"MARTINI bead: C5_P3";;;;;;;-0.33;;-4.14;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM400734;MM400734;C=c1ccc(=C)n(C)c1=O;SYTCDNZMNKSSIB-UHFFFAOYSA-N;135.17;-0.79;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC5_SNa";;;;;;;1.64;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM400735;MM400735;C#CC(CF)C(C=O)CO;YOXJBGTVIILMHQ-UHFFFAOYSA-N;144.15;0.01;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_Na";;;;;;;-0.24;;-3.24;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM400736;MM400736;C=c1ccc(=N)n(N)c1=C;LMAUVVOFLQPRGN-UHFFFAOYSA-N;135.17;-1.5;;;;;DOPC;MDCG;27;1;"MARTINI bead: SP1_SN0";;;;;;;0.34;;-4.68;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM400737;MM400737;C#CC(NC)C(C=O)CC;YEJRGEIEZDEXQR-UHFFFAOYSA-N;139.2;0.43;;;;;DOPC;MDCG;27;1;"MARTINI bead: C5_P2";;;;;;;0.54;;-2.51;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM400738;MM400738;C=c1ccc(=O)n(N)c1=C;XPADGWFVISYPIM-UHFFFAOYSA-N;136.15;-1.62;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP1_SN0";;;;;;;0.34;;-1.53;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM400739;MM400739;C#CC(OC)C(C#N)CO;YWQWRSJTPWFPKY-UHFFFAOYSA-N;139.15;-0.23;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_P2";;;;;;;-0.24;;-3.24;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM400740;MM400740;C=c1ccc(=C)n(N)c1=N;JNSBNDPTSQQIIX-UHFFFAOYSA-N;135.17;-1.5;;;;;DOPC;MDCG;27;1;"MARTINI bead: SNd_SNd";;;;;;;0.87;;-5.37;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM400741;MM400741;C#CC(CC)C(C#N)NC;TZVNYZVGCKVQCX-UHFFFAOYSA-N;136.2;0.76;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_P2";;;;;;;0.54;;-1.09;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM400742;MM400742;C=c1ccc(=C)n(N)c1=O;TUYMWRLNSQRCCE-UHFFFAOYSA-N;136.15;-1.62;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNd_SNa";;;;;;;0.87;;-1.88;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM400743;MM400743;CC=C1CC2(O)CC1C2;PXBHBGWLDOGZAJ-UHFFFAOYSA-N;124.18;1.48;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC1_SNda";;;;;;;2.91;;0.57;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM400744;MM400744;C=c1ccc(=N)n(O)c1=C;ZSNJQPPUSPXKEQ-UHFFFAOYSA-N;136.15;-0.97;;;;;DOPC;MDCG;27;1;"MARTINI bead: SNda_SN0";;;;;;;1.17;;-3.98;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM400745;MM400745;C#CC(NC)C(C#N)NC;YSSQXWCZJDRDMO-UHFFFAOYSA-N;137.19;-0.68;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_P2";;;;;;;-1.34;;-4.31;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM400746;MM400746;C=c1ccc(=C)n(O)c1=N;JAYGXINMZNLQLR-UHFFFAOYSA-N;136.15;-0.97;;;;;DOPC;MDCG;27;1;"MARTINI bead: SNda_SNd";;;;;;;0.87;;-4.89;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM400747;MM400747;C#CC(CC)N(CC)N=C;GVBDHHJLRCVENZ-UHFFFAOYSA-N;138.21;1.34;;;;;DOPC;MDCG;27;0;"MARTINI bead: C3_P1";;;;;;;1.74;;0.29;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM400748;MM400748;C=c1cnc(=N)n(C)c1=C;FYKYENTWXTVPDA-UHFFFAOYSA-N;135.17;-1.28;;;;;DOPC;MDCG;27;1;"MARTINI bead: SP1_SNda";;;;;;;0.04;;-7.86;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM400749;MM400749;C=C1C(=O)CNC1C#N;OAXAMCIUBBIUNW-UHFFFAOYSA-N;122.13;-0.39;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP1_SP2";;;;;;;-1.06;;-3.82;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM400750;MM400750;C=c1cnc(=O)n(C)c1=C;IBFVLCXWUBQJES-UHFFFAOYSA-N;136.15;-1.4;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP1_SP1";;;;;;;-0.79;;-3.13;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM400751;MM400751;C=CC(CC)C(C=O)C=O;LXEJLMMJAVTLCP-UHFFFAOYSA-N;140.18;1.21;;;;;DOPC;MDCG;27;0;"MARTINI bead: C3_P2";;;;;;;1.46;;-0.15;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM400752;MM400752;C=c1cnc(=N)n(N)c1=C;WJOKUIFJRANIOD-UHFFFAOYSA-N;136.16;-2.1;;;;;DOPC;MDCG;27;1;"MARTINI bead: SP1_SP2";;;;;;;-1.06;;-7.34;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM400753;MM400753;C=CC(C=O)C(C=O)CC;XMIMWKOVTPABCU-UHFFFAOYSA-N;140.18;1.21;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_Na";;;;;;;1.64;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM400754;MM400754;C=c1cnc(=O)n(N)c1=C;RICGEDFUKRMPER-UHFFFAOYSA-N;137.14;-2.22;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP1_SP2";;;;;;;-1.06;;-3.82;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM400755;MM400755;C=CC(C=C)C(C=C)CN;XGWDYGZYCHJFHS-UHFFFAOYSA-N;137.23;1.74;;;;;DOPC;MDCG;27;1;"MARTINI bead: P2_C1";;;;;;;1.8;;-1.62;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM400756;MM400756;C=c1cnc(=N)n(O)c1=C;QMLLKKXTSAWSGJ-UHFFFAOYSA-N;137.14;-1.58;;;;;DOPC;MDCG;27;1;"MARTINI bead: SP1_SP2";;;;;;;-1.06;;-7.02;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM400757;MM400757;C=CC(CO)C(C#N)C=O;ZDKNCSYFLKNFCT-UHFFFAOYSA-N;139.15;0.12;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_Nda";;;;;;;-0.24;;-3.31;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM400758;MM400758;CON=C(NOC)C(=O)O;XDOQYXYQGWGJCX-UHFFFAOYSA-N;148.12;-0.82;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_Nda";;;;;;;-0.24;;-7.5;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM400759;MM400759;C=CC(C=O)C(C=O)CO;DCRSXSUAVIWOHC-UHFFFAOYSA-N;142.15;-0.21;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_Na";;;;;;;-0.24;;-3.24;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM400760;MM400760;C=C1C(=C)C(C)C=CC1C;HINGZEULVFPKNX-UHFFFAOYSA-N;134.22;2.94;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC2_SC2";;;;;;;4.78;;0.59;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM400761;MM400761;C=CC(C=O)C(C#N)CO;GKEVPPZTGRIGFJ-UHFFFAOYSA-N;139.15;0.12;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_Na";;;;;;;-0.24;;-3.24;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM400762;MM400762;C=C1C(=C)C(N)C=CC1C;PXMPSWTUHNYBNS-UHFFFAOYSA-N;135.21;1.63;;;;;DOPC;MDCG;27;1;"MARTINI bead: SC2_SNd";;;;;;;2.83;;0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM400763;MM400763;O=CC(C=O)C(C=O)CO;BVUQJZCLFFQGNG-UHFFFAOYSA-N;144.13;-1.19;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_Na";;;;;;;-0.24;;-3.24;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM400764;MM400764;C=C1C(=C)C(N)C=CC1N;PKMMCKOJHFMBBK-UHFFFAOYSA-N;136.2;0.32;;;;;DOPC;MDCG;27;1;"MARTINI bead: SNd_SNd";;;;;;;0.87;;-4.3;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM400765;MM400765;C=CC(C=O)C(C=C)CF;SFSOMQOGJKNZFC-UHFFFAOYSA-N;142.17;1.76;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_Na";;;;;;;1.64;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM400766;MM400766;C=C1C(=C)C(O)C=CC1N;VHYWTCPOLYZCCT-UHFFFAOYSA-N;137.18;0.36;;;;;DOPC;MDCG;27;1;"MARTINI bead: SNd_SNda";;;;;;;0.87;;-3.51;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM400767;MM400767;C=CC(C=C)C(C=O)CF;NAUDGVVHAADLGC-UHFFFAOYSA-N;142.17;1.76;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_C2";;;;;;;2;;0.29;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM400768;MM400768;Cc1ccc(F)c(O)c1O;UNPFNOBUDPYGCW-UHFFFAOYSA-N;142.13;1.55;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC5_SC5";;;;;;;2.41;;0.69;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM400769;MM400769;C=CC(C#N)C(C=O)CF;BBNHYSSMKODEPH-UHFFFAOYSA-N;141.15;1.1;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_N0";;;;;;;0.34;;-1.53;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM400770;MM400770;Cn1ccn(C)c(=N)c1=N;QWNDIIUGPJCOHD-UHFFFAOYSA-N;138.17;-0.68;;;;;DOPC;MDCG;27;1;"MARTINI bead: SP2_SP2";;;;;;;-1.34;;-8.69;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM400771;MM400771;C=CC(NC)C(C=O)C=O;LAIPAXXGQXOVRH-UHFFFAOYSA-N;141.17;-0.23;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nda_P2";;;;;;;-0.24;;-4.46;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM400772;MM400772;Cn1ccn(N)c(=N)c1=N;IGPHALWTTSMONU-UHFFFAOYSA-N;139.16;-1.5;;;;;DOPC;MDCG;27;1;"MARTINI bead: SP2_SP3";;;;;;;-2.2;;-8.86;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM400773;MM400773;CC(C=O)=NNC1CC1;GQAIHSVZSHFZIQ-UHFFFAOYSA-N;126.16;0.31;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_SP1";;;;;;;-1.06;;-3.82;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM400774;MM400774;Cn1ccn(O)c(=N)c1=N;ICVKEXJBXQYFRA-UHFFFAOYSA-N;140.15;-0.98;;;;;DOPC;MDCG;27;1;"MARTINI bead: SP3_SP2";;;;;;;-2.2;;-7.85;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM400775;MM400775;C=CC(C#N)C(C=O)OC;WFLRGRJYTWVORM-UHFFFAOYSA-N;139.15;0.53;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_N0";;;;;;;0.34;;-1.53;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM400776;MM400776;N=c1c(=N)n(N)ccn1N;ZEKKQPRENRNCOP-UHFFFAOYSA-N;140.15;-2.32;;;;;DOPC;MDCG;27;1;"MARTINI bead: SP3_SP3";;;;;;;-3.07;;-8.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM400777;MM400777;COC(C#N)C(C=O)C=O;LDIHRFVSEPKFIF-UHFFFAOYSA-N;141.13;-0.46;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_P2";;;;;;;-0.24;;-3.24;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM400778;MM400778;N=c1c(=N)n(O)ccn1N;VSRYDNZFVQVYKW-UHFFFAOYSA-N;141.13;-1.8;;;;;DOPC;MDCG;27;1;"MARTINI bead: SP3_SP3";;;;;;;-3.07;;-7.43;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM400779;MM400779;COC(C=O)C(C#N)C=O;PQXRHGCYGJVWAI-UHFFFAOYSA-N;141.13;-0.46;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_P2";;;;;;;-0.24;;-3.24;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM400780;MM400780;Cn1ccn(N)c(=N)c1=O;VLNWQUWQRDVJPL-UHFFFAOYSA-N;140.15;-1.62;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP2_SP3";;;;;;;-2.2;;-5.19;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM400781;MM400781;C=CN(C=N)C(C#N)CC;VNXJSEFHOGEVGI-UHFFFAOYSA-N;137.19;1.34;;;;;DOPC;MDCG;27;1;"MARTINI bead: C5_P1";;;;;;;0.81;;-1.91;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM400782;MM400782;N=c1c(=O)n(N)ccn1N;DGRRFWUBZQUYBD-UHFFFAOYSA-N;141.13;-2.44;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP3_SP3";;;;;;;-3.07;;-6.15;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM400783;MM400783;C=CN(C=O)C(C#N)CC;MYVUHMBCXRQHNL-UHFFFAOYSA-N;138.17;0.89;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_P1";;;;;;;0.81;;-0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM400784;MM400784;C=C(F)C(=NOC)C(=O)O;UWSJCCBMJMBABA-UHFFFAOYSA-N;147.11;0.56;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_P1";;;;;;;0.81;;-4.72;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM400785;MM400785;CCC(C#N)N(C=N)C=O;XDBXTJRXTSTCQZ-UHFFFAOYSA-N;139.16;0.35;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda_P2";;;;;;;-0.24;;-3.31;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM400786;MM400786;C#CC(C#N)NC1CC1;RKJPWGHNNKSZOY-UHFFFAOYSA-N;120.16;0.26;;;;;DOPC;MDCG;27;0;"MARTINI bead: N0_SP1";;;;;;;0.34;;-1.53;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM400787;MM400787;C=CC(CO)N(C=C)C=N;RLURAODPAZETKR-UHFFFAOYSA-N;140.19;0.59;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nda_P2";;;;;;;-0.24;;-5.89;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM400788;MM400788;CCC1CC1C1(O)CC1;XCMLVLYRSTWNCI-UHFFFAOYSA-N;126.2;1.56;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC3_SP1";;;;;;;1.74;;0.29;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM400789;MM400789;C=CN(C=O)C(C#N)CO;BPNPMYDXNRAFBF-UHFFFAOYSA-N;140.14;-0.53;;;;;DOPC;MDCG;27;0;"MARTINI bead: P4_N0";;;;;;;-0.88;;-3.74;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM400790;MM400790;Nc1noc(O)c1F;CMKVZINMVDBIOK-UHFFFAOYSA-N;118.07;0.1;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNda_SNda";;;;;;;0.87;;-6.33;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM400791;MM400791;CCC(=O)C1NC1CC;VNIVXGBAQAOQEF-UHFFFAOYSA-N;127.19;0.72;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNd_Na";;;;;;;0.87;;-1.88;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM400792;MM400792;Cn1ccn(C)c(=O)c1=O;QYULNQDGTRMTBL-UHFFFAOYSA-N;140.14;-0.92;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP2_SP2";;;;;;;-1.34;;-4.31;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM400793;MM400793;CCN1CC1C(=O)C#N;HFJDLUCRCLXSHP-UHFFFAOYSA-N;124.14;-0.22;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNd_P1";;;;;;;0.04;;-2.63;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM400794;MM400794;Cn1ccn(N)c(=O)c1=O;HYYCIIUWILETNN-UHFFFAOYSA-N;141.13;-1.74;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP3_SP2";;;;;;;-2.2;;-5.19;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM400795;MM400795;C=CN(C=N)C(C=O)CF;WSRSBNKJBUSGDD-UHFFFAOYSA-N;144.15;0.58;;;;;DOPC;MDCG;27;1;"MARTINI bead: Na_P2";;;;;;;-0.24;;-4.82;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM400796;MM400796;N=c1c(O)non1O;SZZIDWCASHODNH-UHFFFAOYSA-N;117.06;-1.1;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP1_SP2";;;;;;;-1.06;;-8.01;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM400797;MM400797;N#CC(CF)N(C=N)C=O;QBIYEGRLNIUWOS-UHFFFAOYSA-N;143.12;-0.09;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_P4";;;;;;;-1.19;;-4.76;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM400798;MM400798;Nn1ccn(N)c(=O)c1=O;JWKYWYURRMVENN-UHFFFAOYSA-N;142.12;-2.56;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP3_SP3";;;;;;;-3.07;;-6.15;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM400799;MM400799;C=CC(CC)N(C=N)N=C;LEJZTKUIUMLSLF-UHFFFAOYSA-N;139.2;1.48;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_P1";;;;;;;0.81;;-0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM400800;MM400800;Cc1nc(=O)oc(=NN)[nH]1;JHVDWWIHJHJRSS-UHFFFAOYSA-N;142.12;-1.55;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP2_SP3";;;;;;;-2.2;;-9.18;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM400801;MM400801;C#CCNNC=NN=C;PMDOSNGTVZWKMH-UHFFFAOYSA-N;124.15;-0.64;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nd_P2";;;;;;;-0.24;;-3.16;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM400802;MM400802;NN(C=O)C(CO)C(=O)O;CTDOXGBYSLIOSD-UHFFFAOYSA-N;148.12;-2.24;;;;;DOPC;MDCG;27;0;"MARTINI bead: P4_P1";;;;;;;-2.01;;-8.87;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM400803;MM400803;C=NN(C=N)C(C#N)CF;TUUOSDOJEWWFGP-UHFFFAOYSA-N;142.14;0.37;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_P2";;;;;;;-0.24;;-3.24;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM400804;MM400804;Cn1cnn(C)c(=N)c1=N;JLBSOYIUKNEOAI-UHFFFAOYSA-N;139.16;-1.28;;;;;DOPC;MDCG;27;1;"MARTINI bead: SP3_SP3";;;;;;;-3.07;;-7.3;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM400805;MM400805;C=NN(C=O)C(C#N)CF;QBGNTCUTUPOROX-UHFFFAOYSA-N;143.12;-0.08;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_P2";;;;;;;-0.24;;-3.24;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM400806;MM400806;N=c1c(=N)n(N)ncn1N;RUJJSHYSDYIOHU-UHFFFAOYSA-N;141.14;-2.93;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP3_SP3";;;;;;;-3.07;;-6.15;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM400807;MM400807;C#CCCC(=C)C(C)(C)O;DLCPVNASQQQIKF-UHFFFAOYSA-N;138.21;1.73;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda_C3";;;;;;;2.57;;0.44;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM400808;MM400808;CC=CC=NN=CNN;WSXVSJXGWOSIIP-UHFFFAOYSA-N;126.16;0.04;;;;;DOPC;MDCG;27;0;"MARTINI bead: C2_P4";;;;;;;0.77;;-0.87;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM400809;MM400809;C=CC(C#N)N(CC)N=C;UPUQYGPNDMSBIV-UHFFFAOYSA-N;137.19;1;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_P2";;;;;;;0.54;;-1.09;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM400810;MM400810;CNN=CC(=O)C(C)(C)F;YYFXOHFXVLWBFR-UHFFFAOYSA-N;146.17;0.51;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_C5";;;;;;;0.81;;-0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM400811;MM400811;CNN=CC(=O)C=C(C)F;YXKPQPAOAJZAEK-UHFFFAOYSA-N;144.15;0.63;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_C5";;;;;;;0.81;;-0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM400812;MM400812;CNN=C(OC)C(C)(C)F;SHSSRBDNZHBNPA-UHFFFAOYSA-N;148.18;0.91;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_C5";;;;;;;0.81;;-0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM400813;MM400813;C=CC(C#N)N(C=O)NC;YJGHXSFNUFKLKD-UHFFFAOYSA-N;139.16;-0.34;;;;;DOPC;MDCG;27;0;"MARTINI bead: P4_N0";;;;;;;-0.88;;-3.74;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM400814;MM400814;C=C(C)CC1C(O)C1(C)C;FQINDOMNWDSWDP-UHFFFAOYSA-N;140.23;1.97;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4_SNda";;;;;;;2.2;;0.49;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM400815;MM400815;O=C(O)C(C=C(F)F)=NO;FRYNDYRDDPCVMQ-UHFFFAOYSA-N;151.07;0.68;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_N0";;;;;;;0.34;;-6.22;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM400816;MM400816;Cn1cnn(C)c(=O)c1=N;OJRUBXJYPQLDNS-UHFFFAOYSA-N;140.15;-1.4;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP3_SP3";;;;;;;-3.07;;-6.15;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM400817;MM400817;CON(C=O)C(C#N)C=O;CNCQOOFCRMGVDW-UHFFFAOYSA-N;142.11;-0.9;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_Na";;;;;;;-0.24;;-3.24;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM400818;MM400818;CC(=O)OC(=N)N=CNN;HMBJUKFZTHMLCE-UHFFFAOYSA-N;144.13;-1.02;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_P4";;;;;;;-1.19;;-4.76;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM400819;MM400819;C#CC(C=O)C(C=O)CC;HFNLBQBRBKLOKE-UHFFFAOYSA-N;138.17;0.66;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4_P2";;;;;;;1.09;;-0.38;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM400820;MM400820;C=CC(=NN=CN)C(=O)O;VQYCHADOKYFHMU-UHFFFAOYSA-N;141.13;-0.4;;;;;DOPC;MDCG;27;0;"MARTINI bead: P3_Nda";;;;;;;-1.1;;-8;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM400821;MM400821;C#CC(C=O)C(C=O)OC;JMLGXSZUBDURJU-UHFFFAOYSA-N;140.14;-0.35;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_Na";;;;;;;0.04;;-2.54;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM400822;MM400822;Cn1ncn(N)c(=N)c1=O;OJPCADATJLNWMD-UHFFFAOYSA-N;141.13;-2.22;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP3_SP3";;;;;;;-3.07;;-6.15;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM400823;MM400823;C#CC(C#N)C(C=O)OC;YRKKRCPEBYTZSG-UHFFFAOYSA-N;137.14;-0.03;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_N0";;;;;;;0.34;;-1.53;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM400824;MM400824;C=CCC(=C)C(C)(O)C=C;NVESGFLHHVGRNO-UHFFFAOYSA-N;138.21;2.06;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda_C2";;;;;;;2.83;;0.57;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM400825;MM400825;C#CC(C#N)C(C#N)OC;WQVHBJLSMZTZOV-UHFFFAOYSA-N;134.14;0.3;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_N0";;;;;;;0.34;;-1.53;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM400826;MM400826;O=c1nn[nH]c(O)nc1=O;NTZXONMHZTWJCJ-UHFFFAOYSA-N;142.07;-2.37;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP5_SP4";;;;;;;-3.17;;-11.08;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM400827;MM400827;C#CC(C=C)N(C=N)CC;HCKZBQJQCYXEAT-UHFFFAOYSA-N;136.2;1.1;;;;;DOPC;MDCG;27;1;"MARTINI bead: P2_C5";;;;;;;0.54;;-3.03;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM400828;MM400828;C=CC=C(C)C(C)(O)C=C;KUKRPYMZWXOCKH-UHFFFAOYSA-N;138.21;2.06;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1_Nda";;;;;;;2.91;;0.57;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM400829;MM400829;C#CC(C=C)N(CC)N=C;PEUTYJZWXOFYLF-UHFFFAOYSA-N;136.2;1.11;;;;;DOPC;MDCG;27;0;"MARTINI bead: N0_N0";;;;;;;1.47;;-0.05;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM400830;MM400830;CC1(O)CC=C(CC#N)C1;BYRDYGVUFBEVPC-UHFFFAOYSA-N;137.18;1.37;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNda_SC5";;;;;;;1.64;;0.05;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM400831;MM400831;C#CCCCC(C)(O)C=C;QRZWVDIRAGMJDH-UHFFFAOYSA-N;138.21;1.73;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda_C3";;;;;;;2.57;;0.44;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM400832;MM400832;O=c1nnoc(O)c1CF;XNTOBVJHSIDAON-UHFFFAOYSA-N;146.08;-0.4;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP2_SP2";;;;;;;-1.34;;-8.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM400833;MM400833;C#CCC=CC(C)(O)CC;YZBOMBVMGXOGMJ-UHFFFAOYSA-N;138.21;1.73;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_C5";;;;;;;2.41;;0.64;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM400834;MM400834;Cn1cnn(C)c(=N)c1=O;ITARNSKCGPZHHS-UHFFFAOYSA-N;140.15;-1.4;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP3_SP3";;;;;;;-3.07;;-6.15;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM400835;MM400835;C#CC(C=C)N(C=O)OC;CCXHMEOBZMIGHZ-UHFFFAOYSA-N;139.15;0.19;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_N0";;;;;;;0.34;;-1.53;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM400836;MM400836;Cn1cnn(N)c(=N)c1=O;KLYUUQYVDDJTNL-UHFFFAOYSA-N;141.13;-2.22;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP3_SP3";;;;;;;-3.07;;-6.15;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM400837;MM400837;C#CC(C#C)C(C=O)CO;JLHLELFUTLBQOV-UHFFFAOYSA-N;136.15;-0.32;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_N0";;;;;;;0.06;;-2.21;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM400838;MM400838;C=C(F)CNC(C)C(C)=O;BZNYZNZGUZUBAD-UHFFFAOYSA-N;145.18;1.04;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_C5";;;;;;;0.54;;-1.09;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM400839;MM400839;C#CC(C#C)N(C=O)NC;RDGORWKYJOEMSW-UHFFFAOYSA-N;136.15;-0.79;;;;;DOPC;MDCG;27;0;"MARTINI bead: P4_N0";;;;;;;-0.88;;-3.74;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM400840;MM400840;Cn1ncn(N)c(=O)c1=N;ZSRTWOSILVJKSP-UHFFFAOYSA-N;141.13;-2.22;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP5_SP3";;;;;;;-3.08;;-7.6;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM400841;MM400841;C#CC(OC)C(C#C)OC;JYMZSALQCMBRCM-UHFFFAOYSA-N;138.17;0.28;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_Na";;;;;;;0.87;;-2.22;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM400842;MM400842;N=c1c(=O)n(N)cnn1N;NGUQEPFHQYZMHA-UHFFFAOYSA-N;142.12;-3.05;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP3_SP5";;;;;;;-3.08;;-7.6;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM400843;MM400843;C#CC(CC)C(C=O)C=O;SSOKRLKFWMFPOT-UHFFFAOYSA-N;138.17;0.66;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_P2";;;;;;;0.54;;-1.09;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM400844;MM400844;CNN=C(C)NC(=N)CF;KZGHWKRXSSJKTD-UHFFFAOYSA-N;146.17;0.08;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nd_P2";;;;;;;-0.24;;-3.16;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM400845;MM400845;C=CCC(C)(CO)CCC;BDICSHPZPLAUJD-UHFFFAOYSA-N;142.24;2.36;;;;;DOPC;MDCG;27;0;"MARTINI bead: C3_C4";;;;;;;3.9;;0.47;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM400846;MM400846;Cn1[nH]nnc(=O)c1=NO;YAYLUVJBOAGGPR-UHFFFAOYSA-N;143.11;-2.21;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP1_SP3";;;;;;;-1.93;;-8.69;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM400847;MM400847;C#CC(CF)C(C=C)C=O;YKAMJTKWRAJLMQ-UHFFFAOYSA-N;140.16;1.21;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_Na";;;;;;;0.87;;-2.22;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM400848;MM400848;CC(=C(F)F)C(O)C(=O)O;CXHPEADUMVXADB-UHFFFAOYSA-N;152.1;0.6;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_N0";;;;;;;0.34;;-5.78;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM400849;MM400849;C#CC(OC)C(C=C)C=O;UJQMLIMMIAKZJJ-UHFFFAOYSA-N;138.17;0.64;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_Na";;;;;;;0.87;;-2.22;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM400850;MM400850;N=C(NC(=O)CO)C(=O)O;RQDJXXZTYNWSIR-UHFFFAOYSA-N;146.1;-1.84;;;;;DOPC;MDCG;27;0;"MARTINI bead: P4_P1";;;;;;;-2.01;;-8.87;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM400851;MM400851;C#CC(CC)N(C=O)N=C;VMMMPYBKTIGULN-UHFFFAOYSA-N;138.17;0.47;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_P1";;;;;;;0.81;;-0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM400852;MM400852;Cn1cnn(C)c(=O)c1=O;OWXJRGYLNJEEOU-UHFFFAOYSA-N;141.13;-1.52;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP3_SP3";;;;;;;-3.07;;-6.15;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM400853;MM400853;CC(=O)C(N)=NN=C(C)C;NMUXYMFIJJOAIZ-UHFFFAOYSA-N;141.17;0.33;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nd_Na";;;;;;;0.87;;-1.88;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM400854;MM400854;Cn1cnn(N)c(=O)c1=O;GLXVIFQXXQRIRN-UHFFFAOYSA-N;142.12;-2.34;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP3_SP3";;;;;;;-3.07;;-6.15;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM400855;MM400855;C#CC(C#N)C(C#C)CF;DDLXZFZQEPVNLJ-UHFFFAOYSA-N;135.14;0.98;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_N0";;;;;;;1.17;;-1.18;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM400856;MM400856;CC#CC(O)(CO)C(=O)O;ZVGUIHZAQDTNEG-UHFFFAOYSA-N;144.13;-1.18;;;;;DOPC;MDCG;27;0;"MARTINI bead: N0_P4";;;;;;;-0.88;;-7.3;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM400857;MM400857;C#CC(C#N)C(C#C)OC;QVJVZMYZYAZJBD-UHFFFAOYSA-N;133.15;0.41;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_N0";;;;;;;1.17;;-1.18;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM400858;MM400858;Cn1ncn(N)c(=O)c1=O;BPYGOGAWGFKSPA-UHFFFAOYSA-N;142.12;-2.34;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP5_SP3";;;;;;;-3.08;;-7.6;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM400859;MM400859;C=CC(C=C)C(C=O)C=O;NEFNKGXZBTXHMW-UHFFFAOYSA-N;138.17;0.99;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_P2";;;;;;;0.54;;-1.09;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM400860;MM400860;Nn1cnn(N)c(=O)c1=O;NROGKBZLACAZRA-UHFFFAOYSA-N;143.11;-3.17;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP3_SP5";;;;;;;-3.08;;-7.6;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM400861;MM400861;C=CC(C=O)C(C=C)C=O;JZSDRFWDLLXOGG-UHFFFAOYSA-N;138.17;0.99;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_Na";;;;;;;0.87;;-2.22;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM400862;MM400862;NN=C(C(N)=O)C(=O)O;GEFXVGLYIJUVPL-UHFFFAOYSA-N;131.09;-2.13;;;;;DOPC;MDCG;27;0;"MARTINI bead: P3_P1";;;;;;;-1.93;;-8.69;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM400863;MM400863;O=CC(C=O)C(C=O)C=O;HOSJFJKUKSYFNA-UHFFFAOYSA-N;142.11;-0.99;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_Na";;;;;;;0.87;;-2.22;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM400864;MM400864;N#CC(=O)NOCCCO;LARIXTXPCXJVBY-UHFFFAOYSA-N;144.13;-1.06;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_P1";;;;;;;-1.06;;-8.02;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM400865;MM400865;C=CC(C=C)N(C=N)C=O;LNJHUTJNIINQBW-UHFFFAOYSA-N;138.17;0.79;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nd_P2";;;;;;;-0.24;;-3.16;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM400866;MM400866;Cc1onnc1O;HWMRSUYVIRESGQ-UHFFFAOYSA-N;100.08;0.08;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP1_SP1";;;;;;;-0.79;;-7.39;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM400867;MM400867;C=CC(C#N)N(C=C)C=O;MCYPRLGSEPAXLI-UHFFFAOYSA-N;136.15;0.67;;;;;DOPC;MDCG;27;0;"MARTINI bead: N0_P1";;;;;;;0.34;;-1.53;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM400868;MM400868;N=c1[nH]nc(O)c(=O)n1O;WIMVYANISXBLDM-UHFFFAOYSA-N;144.09;-2.01;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP2_SP3";;;;;;;-2.2;;-9.19;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM400869;MM400869;C=NN=c1[nH]oc(=O)o1;VUPZACRAEGTJPR-UHFFFAOYSA-N;129.08;-0.92;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_SP2";;;;;;;-1.34;;-8.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM400870;MM400870;Cn1nnn(C)c(=N)c1=N;UOINCMROJDTHKD-UHFFFAOYSA-N;140.15;-1.89;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP3_SP3";;;;;;;-3.07;;-6.15;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM400871;MM400871;CCOC(=N)NC(C)=NN;RIRVSSUPMICWSO-UHFFFAOYSA-N;144.18;-0.16;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda_P2";;;;;;;-0.24;;-3.31;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM400872;MM400872;Cn1nnn(N)c(=N)c1=N;XHLWOHSEGDTGJW-UHFFFAOYSA-N;141.14;-2.71;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP3_SP3";;;;;;;-3.07;;-6.15;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM400873;MM400873;C=COC(COC)=NNC;MDNPNIJNHZQJDV-UHFFFAOYSA-N;144.17;0.33;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda_P1";;;;;;;0.04;;-2.73;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM400874;MM400874;CC(=O)CN(C)C(C)C=O;BHJCVKSBMIKGOI-UHFFFAOYSA-N;143.19;0.09;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_Na";;;;;;;0.04;;-2.54;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM400875;MM400875;N#CC(C=O)N(C=N)C=O;GTOINPQLNYZXDK-UHFFFAOYSA-N;139.11;-0.86;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_P2";;;;;;;-1.34;;-4.31;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM400876;MM400876;N=c1c(=N)n(N)nnn1N;JRAOVBPAJZAVKP-UHFFFAOYSA-N;142.13;-3.53;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP3_SP3";;;;;;;-3.07;;-6.15;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM400877;MM400877;N#CC(C#N)N(C=N)C=O;GCENCMNWJWXGHD-UHFFFAOYSA-N;136.11;-0.53;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_P2";;;;;;;-1.34;;-4.31;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM400878;MM400878;CC(C)=CC=NN=CNN;ZOUSDFVAWZQLIE-UHFFFAOYSA-N;140.19;0.43;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1_P4";;;;;;;0.85;;-0.64;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM400879;MM400879;C=NN=c1cnoc(N)n1;FCKVYBWNAQTGQC-UHFFFAOYSA-N;139.12;-0.83;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP2_SP3";;;;;;;-2.2;;-5.19;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM400880;MM400880;CC(F)=CC=NN=CNN;OUKSDPFKBZHLCL-UHFFFAOYSA-N;144.15;0.34;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_P2";;;;;;;0.54;;-1.09;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM400881;MM400881;C=CC(C#N)N(C=N)N=C;DALZFBICCHFKFO-UHFFFAOYSA-N;136.16;0.59;;;;;DOPC;MDCG;27;0;"MARTINI bead: N0_P2";;;;;;;0.06;;-2.21;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM400882;MM400882;Cn1nnn(C)c(=O)c1=N;YWSORDUVFJHRTB-UHFFFAOYSA-N;141.13;-2.01;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP3_SP3";;;;;;;-3.07;;-6.15;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM400883;MM400883;C=CN(C=O)N(C=O)C=O;SHRLCSARQWZJAF-UHFFFAOYSA-N;142.11;-0.88;;;;;DOPC;MDCG;27;0;"MARTINI bead: N0_P3";;;;;;;-0.8;;-2.99;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM400884;MM400884;CC(CCF)=NN=CNN;URWSMJWWABCWHV-UHFFFAOYSA-N;146.17;0.21;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4_P4";;;;;;;0.15;;-2.18;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM400885;MM400885;N=CN(C=O)N(C=N)C=O;ZTSDFYFXPUBNJD-UHFFFAOYSA-N;142.12;-0.97;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_P4";;;;;;;-2.29;;-5.95;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM400886;MM400886;CNn1nnc(F)c1O;GNMACCQVFFVOSS-UHFFFAOYSA-N;132.1;-0.7;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP2_SP1";;;;;;;-1.06;;-8.02;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM400887;MM400887;C#CC(C#N)N(C=C)C=O;AGUBYVDJEFEOPR-UHFFFAOYSA-N;134.14;0.11;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_N0";;;;;;;0.06;;-2.21;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM400888;MM400888;Cn1nnn(N)c(=N)c1=O;SYPGAZRVDONLKT-UHFFFAOYSA-N;142.12;-2.83;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP3_SP3";;;;;;;-3.07;;-6.15;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM400889;MM400889;COC(=O)ON=C(N)C=O;HSUKJNMEBGBCGD-UHFFFAOYSA-N;146.1;-0.76;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_P2";;;;;;;-1.06;;-3.82;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM400890;MM400890;C#CCC(C)=NN=CNN;DNSKOYGPRIPNCJ-UHFFFAOYSA-N;138.17;-0.12;;;;;DOPC;MDCG;27;0;"MARTINI bead: C3_P4";;;;;;;0.52;;-1.59;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM400891;MM400891;CCC(=NN)NC(=N)OC;IAQSFLNNEHQGHK-UHFFFAOYSA-N;144.18;-0.16;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nd_P2";;;;;;;-0.24;;-3.16;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM400892;MM400892;N=CN(C=O)C=CC(=O)O;JQGKVBFHGYNDBQ-UHFFFAOYSA-N;142.11;-0.35;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda_P4";;;;;;;-1.19;;-8.39;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM400893;MM400893;COC(=NN(C)C=O)NN;BTWIEEPCLCWKJC-UHFFFAOYSA-N;146.15;-1.54;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_P2";;;;;;;-1.34;;-4.31;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM400894;MM400894;Cn1nnn(O)c(=N)c1=O;OBAYKBYAUOXNPG-UHFFFAOYSA-N;143.11;-2.31;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP3_SP3";;;;;;;-3.07;;-6.15;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM400895;MM400895;C=CC(O)(C=C)CC1CC1;CQLRGKCZASRHNL-UHFFFAOYSA-N;138.21;1.89;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda_SC5";;;;;;;1.64;;0.05;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM400896;MM400896;N=c1c(=O)n(N)nnn1O;LKWOSHVQVDKGFN-UHFFFAOYSA-N;144.09;-3.13;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP3_SP3";;;;;;;-3.07;;-6.15;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM400897;MM400897;C=CC(=C)C(C)C(O)C=C;TWYFUONKKQEHBT-UHFFFAOYSA-N;138.21;1.91;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda_C1";;;;;;;2.91;;0.57;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM400898;MM400898;CN=NC(=CNN)C(=O)O;MBMPJDAICGVJCF-UHFFFAOYSA-N;144.13;-0.54;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_P3";;;;;;;-0.33;;-5.92;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM400899;MM400899;C#CC(C#N)C(C#C)C=C;FMSKEYIMCRYJGI-UHFFFAOYSA-N;129.16;1.19;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_N0";;;;;;;1.94;;0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM400900;MM400900;Cn1nnn(C)c(=O)c1=O;JOHWHRGIECRSRQ-UHFFFAOYSA-N;142.12;-2.13;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP3_SP3";;;;;;;-3.07;;-6.15;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM400901;MM400901;CCC(=CF)C(CN)CF;MXYIYPKTBUUVRT-UHFFFAOYSA-N;149.18;1.79;;;;;DOPC;MDCG;27;1;"MARTINI bead: Na_C5";;;;;;;1.64;;-2.62;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM400902;MM400902;Cn1nnn(N)c(=O)c1=O;CXKKQNKQIQGNTG-UHFFFAOYSA-N;143.11;-2.95;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP3_SP3";;;;;;;-3.07;;-6.15;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM400903;MM400903;CCC(CC)C(CN)=NO;UDCWEPNUOPEOEY-UHFFFAOYSA-N;144.22;1.21;;;;;DOPC;MDCG;27;1;"MARTINI bead: C1_P3";;;;;;;0.94;;-0.98;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM400904;MM400904;NC(=CC(=O)O)OC=CF;QBSMFPQYIZQZBT-UHFFFAOYSA-N;147.11;0.33;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_C5";;;;;;;0.54;;-5.27;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM400905;MM400905;C#CCCC(O)C(C)C#C;GRFUTVYXNJHYIS-UHFFFAOYSA-N;136.19;1.03;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_Nda";;;;;;;1.64;;0.05;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM400906;MM400906;Nn1nnn(N)c(=O)c1=O;PDUCYTMJJDMYBC-UHFFFAOYSA-N;144.09;-3.77;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP3_SP3";;;;;;;-3.07;;-6.15;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM400907;MM400907;C=Nn1[nH]c(=O)n(O)c1=O;SAHGEOUOMCBBIB-UHFFFAOYSA-N;144.09;-1.96;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP3_SP2";;;;;;;-2.2;;-9.42;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM400908;MM400908;O=c1nncnc(=NO)[nH]1;APNGCFGCCOEDJN-UHFFFAOYSA-N;141.09;-2.15;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP4_SP4";;;;;;;-3.24;;-10.98;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM400909;MM400909;C#CC(=C)C(=O)C=NNC;HUKJFRPQUAMOGQ-UHFFFAOYSA-N;136.15;-0.05;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_N0";;;;;;;0.34;;-1.53;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM400910;MM400910;O=c1ncnnc(=NO)[nH]1;GDPSCTRLWFGMNK-UHFFFAOYSA-N;141.09;-2.15;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP5_SP4";;;;;;;-3.17;;-11.08;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM400911;MM400911;CON=CN(C)C(C)=NN;GWDZZSLWNHOCBC-UHFFFAOYSA-N;144.18;-0.2;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_Nd";;;;;;;-0.24;;-3.16;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM400912;MM400912;C=c1ccn(C)c(=N)c1=C;UNSBQNUXSRKNMO-UHFFFAOYSA-N;134.18;-0.67;;;;;DOPC;MDCG;27;1;"MARTINI bead: SNd_SN0";;;;;;;1.17;;-6.46;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM400913;MM400913;C=CC(F)C(C)=NNCC;ZSXXCCSBIOFVHV-UHFFFAOYSA-N;144.19;1.5;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nd_Na";;;;;;;0.87;;-1.88;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM400914;MM400914;C=c1ccn(N)c(=N)c1=C;OXFWNEQWVSNXRY-UHFFFAOYSA-N;135.17;-1.5;;;;;DOPC;MDCG;27;1;"MARTINI bead: SP1_SN0";;;;;;;0.34;;-4.76;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM400915;MM400915;CCC(CF)C(=NO)NO;FZVMXARNYNJNJZ-UHFFFAOYSA-N;150.15;0.75;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4_P4";;;;;;;0.15;;-2.18;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM400916;MM400916;C=c1ccn(O)c(=N)c1=C;XDPJRKCLKCLNNB-UHFFFAOYSA-N;136.15;-0.97;;;;;DOPC;MDCG;27;1;"MARTINI bead: SNda_SN0";;;;;;;1.17;;-3.97;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM400917;MM400917;C=c1ccn(C)c(=O)c1=C;GYKJQBHXOSMERD-UHFFFAOYSA-N;135.17;-0.79;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNa_SN0";;;;;;;1.17;;-1.18;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM400918;MM400918;CC=C(OC)C(CN)CN;WPSLNPRXKUNQIK-UHFFFAOYSA-N;144.22;0.07;;;;;DOPC;MDCG;27;1;"MARTINI bead: C5_P3";;;;;;;-0.33;;-4.62;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM400919;MM400919;C=c1ccn(N)c(=O)c1=C;XRBUSSMDCCYSQK-UHFFFAOYSA-N;136.15;-1.62;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP1_SN0";;;;;;;0.34;;-1.53;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM400920;MM400920;CCCNN=CC(=O)CC;WBUAWXKYWONSEA-UHFFFAOYSA-N;142.2;0.95;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nd_Na";;;;;;;0.87;;-1.88;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM400921;MM400921;C=c1c(=N)ncn(C)c1=C;IOBQWVZCSBTQNT-UHFFFAOYSA-N;135.17;-1.28;;;;;DOPC;MDCG;27;1;"MARTINI bead: SP1_SP2";;;;;;;-1.06;;-5.81;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM400922;MM400922;COC(=NO)C(CN)CO;CCZOIPQYSOKKMH-UHFFFAOYSA-N;148.16;-1.01;;;;;DOPC;MDCG;27;1;"MARTINI bead: P2_P2";;;;;;;-1.34;;-6.53;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM400923;MM400923;C=c1c(=O)ncn(C)c1=C;BFRCSIUWKOJXBO-UHFFFAOYSA-N;136.15;-1.4;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP1_SP3";;;;;;;-1.93;;-4.72;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM400924;MM400924;CC=C(CN)C(CC)NC;PTGDFGMKZWOUTM-UHFFFAOYSA-N;142.25;0.89;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_Nd";;;;;;;0.87;;-4.56;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM400925;MM400925;C=c1c(=N)ncn(N)c1=C;JMDFPWPXXWAYLT-UHFFFAOYSA-N;136.16;-2.1;;;;;DOPC;MDCG;27;1;"MARTINI bead: SP1_SP2";;;;;;;-1.06;;-4.96;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM400926;MM400926;CC=C(CC)C(CN)NC;ZCGMBDJQLSAHOU-UHFFFAOYSA-N;142.25;0.89;;;;;DOPC;MDCG;27;1;"MARTINI bead: C1_P3";;;;;;;0.94;;-2.08;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM400927;MM400927;C=c1c(=O)ncn(N)c1=C;PMHNBRFLQPJPRE-UHFFFAOYSA-N;137.14;-2.22;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP1_SP3";;;;;;;-1.93;;-4.72;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM400928;MM400928;CC=C(CF)C(CN)NC;MUAPFBZYQSBAJC-UHFFFAOYSA-N;146.21;0.45;;;;;DOPC;MDCG;27;1;"MARTINI bead: P2_N0";;;;;;;0.06;;-4.35;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM400929;MM400929;C=c1c(=O)ncn(O)c1=C;HMBWTPSWPBACFB-UHFFFAOYSA-N;138.13;-1.7;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP2_SP3";;;;;;;-2.2;;-5.19;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM400930;MM400930;CNC(CN)C(=CF)CF;WFRDNAHGYLTCDJ-UHFFFAOYSA-N;150.17;0.36;;;;;DOPC;MDCG;27;1;"MARTINI bead: P3_C5";;;;;;;-0.33;;-4.01;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM400931;MM400931;C=c1ccc(=C)c(=C)c1=C;NDPZNGGGGCBTBS-UHFFFAOYSA-N;130.19;-0.67;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC3_SC3";;;;;;;4.27;;0.2;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM400932;MM400932;CC=C(CO)C(CO)NC;QZDIBDNHBCFHID-UHFFFAOYSA-N;145.2;-0.49;;;;;DOPC;MDCG;27;1;"MARTINI bead: P2_Nda";;;;;;;-0.24;;-4.74;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM400933;MM400933;C=C1C=CC(=C)C(=O)C1=O;ZKDUWCBBOPCTDS-UHFFFAOYSA-N;134.13;0.81;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC3_SNa";;;;;;;2.57;;0.45;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM400934;MM400934;CCC(=NO)C(CC)NC;IQKGIHOJDSDBTJ-UHFFFAOYSA-N;144.22;1.22;;;;;DOPC;MDCG;27;1;"MARTINI bead: C5_P1";;;;;;;0.81;;-1.75;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM400935;MM400935;O=c1ccc(=O)c(=O)c1=O;NKQPRNDTEUZYKT-UHFFFAOYSA-N;138.08;-2;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNa_SNa";;;;;;;0.87;;-2.22;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM400936;MM400936;C=CCC(C=C)C(O)C=C;OTQHGSCRXIMQNL-UHFFFAOYSA-N;138.21;1.91;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda_C1";;;;;;;2.91;;0.57;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM400937;MM400937;N=c1ncc(=O)c(=O)c1=O;ZRQNAZMMLOFEFQ-UHFFFAOYSA-N;138.08;-2.48;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP2_SP1";;;;;;;-1.06;;-3.82;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM400938;MM400938;CC=C(CN)C(CN)OC;MYLSGFWELLKUGI-UHFFFAOYSA-N;144.22;-0.13;;;;;DOPC;MDCG;27;1;"MARTINI bead: P2_Nd";;;;;;;-0.24;;-5.54;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM400939;MM400939;O=c1cnc(=O)c(=O)c1=O;GSFGSHJKCJXTAY-UHFFFAOYSA-N;139.07;-2.6;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP2_SP2";;;;;;;-1.34;;-4.31;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM400940;MM400940;CC=C(CN)C(CO)OC;VZAKJIJWWADVPE-UHFFFAOYSA-N;145.2;-0.1;;;;;DOPC;MDCG;27;1;"MARTINI bead: P2_Nd";;;;;;;-0.24;;-5.02;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM400941;MM400941;Cc1nnc(N)c(F)c1O;BTKAFYSOHBWQAL-UHFFFAOYSA-N;143.12;0.21;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP1_SP1";;;;;;;-0.79;;-3.13;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM400942;MM400942;CC=C(CO)C(CO)OC;FJPWELQWOQEVEK-UHFFFAOYSA-N;146.19;-0.07;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_Nda";;;;;;;-0.24;;-3.31;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM400943;MM400943;Cn1c(=N)[nH]cc(N)c1=N;CEVXEMDRKFAXRU-UHFFFAOYSA-N;139.16;-1.11;;;;;DOPC;MDCG;27;1;"MARTINI bead: SNd_SP3";;;;;;;-1.1;;-6.85;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM400944;MM400944;Nn1c(=O)onc(O)c1=O;XMJJOTYWBWGUQG-UHFFFAOYSA-N;145.07;-2.38;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP2_SP3";;;;;;;-2.2;;-9.42;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM400945;MM400945;Cc1n[nH]c(=O)n(C)c1=N;CRKWZHQWUCCUJU-UHFFFAOYSA-N;140.15;-1.1;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP3_SP2";;;;;;;-2.2;;-5.19;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM400946;MM400946;C#CC(=C)C(C=O)=NNC;WRIISYWTRKNAHD-UHFFFAOYSA-N;136.15;-0.05;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_N0";;;;;;;0.34;;-1.53;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM400947;MM400947;O=CON(C=O)CC(=O)O;AIENQPAJKLAFRO-UHFFFAOYSA-N;147.09;-1.38;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_P2";;;;;;;-1.06;;-8.03;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM400948;MM400948;NC=CC(=NOC=O)NN;GYGOMMVEIDTRCI-UHFFFAOYSA-N;144.13;-1.59;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_P1";;;;;;;-1.06;;-3.82;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM400949;MM400949;Cc1noc(=N)n(C)c1=N;PXSUWUZNOBNCRY-UHFFFAOYSA-N;140.15;-0.72;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP2_SP2";;;;;;;-1.34;;-4.31;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM400950;MM400950;O=CC(C#CC(=O)O)CF;ZXONRRXIMDHTRO-UHFFFAOYSA-N;144.1;-0.14;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_Na";;;;;;;0.04;;-7.24;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM400951;MM400951;Cn1c(=N)onc(F)c1=N;IGRNQTZDDXDPBP-UHFFFAOYSA-N;144.11;-0.89;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP2_SP2";;;;;;;-1.34;;-4.31;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM400952;MM400952;CNC(=NO)C(CO)OC;DHBRCCVLXVRPDJ-UHFFFAOYSA-N;148.16;-1;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_P2";;;;;;;-1.34;;-4.31;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM400953;MM400953;Cc1noc(=O)n(C)c1=N;MEQVNDJQSUTPDG-UHFFFAOYSA-N;141.13;-0.84;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP2_SP2";;;;;;;-1.34;;-4.31;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM400954;MM400954;C#CC(CF)C(C)NN=C;PWLUFVQUBYWDSZ-UHFFFAOYSA-N;142.18;0.8;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nd_Na";;;;;;;0.87;;-1.88;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM400955;MM400955;Cn1c(=O)onc(F)c1=N;JRMNBCNDFJMXOY-UHFFFAOYSA-N;145.09;-1.01;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP2_SP2";;;;;;;-1.34;;-4.31;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM400956;MM400956;COC(CO)C(=NO)NN;QHUFJIVRGZXPIZ-UHFFFAOYSA-N;149.15;-1.76;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_P3";;;;;;;-2.2;;-5.19;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM400957;MM400957;Cc1noc(=N)n(C)c1=O;SARQZGYOWULSOH-UHFFFAOYSA-N;141.13;-0.84;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP2_SP2";;;;;;;-1.34;;-4.31;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM400958;MM400958;CC=C(OC)C(CN)OC;QJIRWOIBRSKQFB-UHFFFAOYSA-N;145.2;0.51;;;;;DOPC;MDCG;27;1;"MARTINI bead: P2_C5";;;;;;;0.54;;-3.03;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM400959;MM400959;Cn1c(=N)onc(F)c1=O;FBBWUNQHVRLHMM-UHFFFAOYSA-N;145.09;-1.01;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP2_SP2";;;;;;;-1.34;;-4.31;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM400960;MM400960;CC=C(OC)C(CO)OC;JYWRDJLKZCJAEO-UHFFFAOYSA-N;146.19;0.54;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_C5";;;;;;;0.54;;-1.09;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM400961;MM400961;Cc1noc(=O)n(C)c1=O;UULRRQKKESQAOP-UHFFFAOYSA-N;142.11;-0.96;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP2_SP2";;;;;;;-1.34;;-4.31;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM400962;MM400962;COC(=CF)C(CO)OC;JPMLDMQLWLSWLN-UHFFFAOYSA-N;150.15;0.45;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_N0";;;;;;;0.06;;-2.21;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM400963;MM400963;Cn1c(=O)onc(F)c1=O;WJXUKQPYJVGHIP-UHFFFAOYSA-N;146.08;-1.13;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP2_SP2";;;;;;;-1.34;;-4.31;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM400964;MM400964;CNc1nnc(=O)n(C)n1;RPAFLSKOTVZVHC-UHFFFAOYSA-N;141.13;-1.39;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP2_SP3";;;;;;;-2.2;;-5.19;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM400965;MM400965;Cc1noc(=N)n(N)c1=N;HRUGFKCPBYCGOI-UHFFFAOYSA-N;141.13;-1.54;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP2_SP2";;;;;;;-1.34;;-4.31;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM400966;MM400966;CCC(=CF)C(OC)OC;ROFRRCJAYFYDHS-UHFFFAOYSA-N;148.18;1.87;;;;;DOPC;MDCG;27;0;"MARTINI bead: C3_P1";;;;;;;1.74;;0.29;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM400967;MM400967;N=c1onc(F)c(=N)n1N;IZTHUWDLCUNZEM-UHFFFAOYSA-N;145.1;-1.71;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP2_SP2";;;;;;;-1.34;;-4.31;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM400968;MM400968;C#CCc1c[nH]c(C)c1N;LIQYLRASMWFBRW-UHFFFAOYSA-N;134.18;1.08;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNd_SNd";;;;;;;0.87;;-2.11;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM400969;MM400969;Cc1noc(=O)n(N)c1=N;GFYLYPOEBIBTTI-UHFFFAOYSA-N;142.12;-1.66;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP2_SP2";;;;;;;-1.34;;-4.31;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM400970;MM400970;O=CCC(=O)C(=O)O;YEZSWHPLZBZVLH-UHFFFAOYSA-N;116.07;-0.77;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_Na";;;;;;;-0.24;;-7.85;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM400971;MM400971;N=c1c(F)noc(=O)n1N;FFBIESRUUXFUFL-UHFFFAOYSA-N;146.08;-1.83;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP2_SP2";;;;;;;-1.34;;-4.31;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM400972;MM400972;CC=C(OC)C(OC)OC;IVRRHEAZPSCXRA-UHFFFAOYSA-N;146.19;1.16;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_C5";;;;;;;0.81;;-0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM400973;MM400973;Cc1noc(=N)n(N)c1=O;PCEOGRFMPCPXLE-UHFFFAOYSA-N;142.12;-1.66;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP2_SP2";;;;;;;-1.34;;-4.31;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM400974;MM400974;CCN(CC)C(CO)=NC;HKZAYCAFFYYNOI-UHFFFAOYSA-N;144.22;0.35;;;;;DOPC;MDCG;27;1;"MARTINI bead: C5_P1";;;;;;;0.81;;-3.55;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM400975;MM400975;N=c1onc(F)c(=O)n1N;LHQSQXNJHDPZLZ-UHFFFAOYSA-N;146.08;-1.83;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP2_SP2";;;;;;;-1.34;;-4.31;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM400976;MM400976;CCN(NC)C(CO)=NC;RELYLKJRANICDP-UHFFFAOYSA-N;145.21;-0.54;;;;;DOPC;MDCG;27;1;"MARTINI bead: C5_P3";;;;;;;-0.33;;-3.32;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM400977;MM400977;Cc1noc(=O)n(N)c1=O;YMKGGNAGXVDBNC-UHFFFAOYSA-N;143.1;-1.78;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP2_SP2";;;;;;;-1.34;;-4.31;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM400978;MM400978;CCN(NC)C(=NC)NN;BDWSJYGYDRBYLW-UHFFFAOYSA-N;145.21;-1.11;;;;;DOPC;MDCG;27;1;"MARTINI bead: C5_P5";;;;;;;-0.34;;-6.28;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM400979;MM400979;Nn1c(=O)onc(F)c1=O;IJCSLTPFLAYMCD-UHFFFAOYSA-N;147.07;-1.95;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP2_SP2";;;;;;;-1.34;;-4.31;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM400980;MM400980;C=NNC1CC1C(=O)C#N;HVLSQAPPARNEJR-UHFFFAOYSA-N;137.14;-0.33;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNd_P1";;;;;;;0.04;;-2.63;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM400981;MM400981;Cc1noc(=N)n(O)c1=N;CDAGJUNUWZSBOC-UHFFFAOYSA-N;142.12;-1.02;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP2_SP2";;;;;;;-1.34;;-4.31;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM400982;MM400982;CCN(OC)C(CO)=NO;UWADUZAUTXDIJJ-UHFFFAOYSA-N;148.16;-0.35;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_P3";;;;;;;-0.33;;-2.01;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM400983;MM400983;N=c1onc(F)c(=N)n1O;AUWYWGVZTOLGBT-UHFFFAOYSA-N;146.08;-1.19;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP2_SP2";;;;;;;-1.34;;-4.31;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM400984;MM400984;C#CC12CCC(=NN)N1C2;TZNGGXBQMGOYLL-UHFFFAOYSA-N;135.17;-0.26;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNd_SN0";;;;;;;1.17;;-1.04;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM400985;MM400985;C=C1CC=C(C)C(C)C1=C;LTBMDGHDMFZYFI-UHFFFAOYSA-N;134.22;3.08;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC2_SC2";;;;;;;4.78;;0.59;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM400986;MM400986;c1noc(=NNC2CC2)o1;JCTVFUSZNVABGA-UHFFFAOYSA-N;141.13;-0.16;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP1_SP2";;;;;;;-1.06;;-3.82;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM400987;MM400987;Cn1[nH]nc(F)c1=O;WQPMMCMRJDCNRP-UHFFFAOYSA-N;117.08;-0.75;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP3_SP1";;;;;;;-1.93;;-8.69;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM400988;MM400988;C=CC(=CC)C(CN)CN;GKCNHABUZKVICC-UHFFFAOYSA-N;140.23;0.65;;;;;DOPC;MDCG;27;1;"MARTINI bead: N0_P1";;;;;;;0.34;;-4.25;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM400989;MM400989;O=c1[nH]c(O)nn1O;BOXCCWIQBDUNJS-UHFFFAOYSA-N;117.06;-1.49;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP2_SP5";;;;;;;-2.22;;-9.61;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM400990;MM400990;C=CC(=CF)C(CN)CN;ZVCAFSCMEVQAKJ-UHFFFAOYSA-N;144.19;0.56;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nda_P2";;;;;;;-0.24;;-6;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM400991;MM400991;Cc1cnc(N)c(=N)n1C;YZWOOZNJHJUXLV-UHFFFAOYSA-N;138.17;-0.21;;;;;DOPC;MDCG;27;1;"MARTINI bead: SP1_SP2";;;;;;;-1.06;;-7.3;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM400992;MM400992;C=CC(=CF)C(CN)CF;QEAOKMALFSCOMT-UHFFFAOYSA-N;147.17;1.57;;;;;DOPC;MDCG;27;1;"MARTINI bead: Na_Nda";;;;;;;0.87;;-4.66;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM400993;MM400993;Cn1c(N)cnc(N)c1=N;ATLRSZXLLFLTRY-UHFFFAOYSA-N;139.16;-0.94;;;;;DOPC;MDCG;27;1;"MARTINI bead: SP3_SP1";;;;;;;-1.93;;-8.77;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM400994;MM400994;C=CC(=CF)C(CO)CO;RZWFPFVDVVMEHV-UHFFFAOYSA-N;146.16;0.63;;;;;DOPC;MDCG;27;0;"MARTINI bead: P3_C4";;;;;;;0.23;;-1.03;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM400995;MM400995;Cn1c(N)c[nH]c(=O)c1=N;QPCZZTDMZCNFJX-UHFFFAOYSA-N;140.15;-1.22;;;;;DOPC;MDCG;27;1;"MARTINI bead: SP1_SP3";;;;;;;-1.93;;-6.55;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM400996;MM400996;NC=C(C=O)C(CO)CO;PPZUVYGXBDTKOO-UHFFFAOYSA-N;145.16;-1.37;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_P3";;;;;;;-2.2;;-5.19;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM400997;MM400997;Cc1cnc(N)c(=N)n1N;LZKISHSDOBGPES-UHFFFAOYSA-N;139.16;-1.03;;;;;DOPC;MDCG;27;1;"MARTINI bead: SP1_SP2";;;;;;;-1.06;;-5.18;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM400998;MM400998;C=CCC(C)C(C)O;KSXVDBSINBXKGA-UHFFFAOYSA-N;114.19;1.58;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_C1";;;;;;;2.08;;0.48;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM400999;MM400999;N=c1c(N)ncc(N)n1N;MAPWXPWWELZUCZ-UHFFFAOYSA-N;140.15;-1.76;;;;;DOPC;MDCG;27;1;"MARTINI bead: SP1_SP3";;;;;;;-1.93;;-7.47;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM401000;MM401000;C=CC(=NO)C(CO)CO;WRCGZINADJRUEU-UHFFFAOYSA-N;145.16;-0.4;;;;;DOPC;MDCG;27;0;"MARTINI bead: P3_Nda";;;;;;;-1.1;;-3.97;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM401001;MM401001;N=c1c(N)ncc(F)n1N;UIMCPSUDVCPPMC-UHFFFAOYSA-N;143.13;-1.2;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP1_SP2";;;;;;;-1.06;;-3.82;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM401002;MM401002;C=COC(=C)C#CC(=O)O;CGWSJYZSOZKSLM-UHFFFAOYSA-N;138.12;0.75;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_C5";;;;;;;0.81;;-5.16;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM401003;MM401003;CN=c1nc(O)[nH]c(=O)o1;YJJNKFKJYDYZRT-UHFFFAOYSA-N;143.1;-1.4;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP2_SP3";;;;;;;-2.2;;-9.19;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM401004;MM401004;C=CC(=CC)C(CN)NC;FNAPOMNDPIQHRS-UHFFFAOYSA-N;140.23;0.67;;;;;DOPC;MDCG;27;1;"MARTINI bead: P2_C5";;;;;;;0.54;;-3.33;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM401005;MM401005;COC(=O)NC(=N)C(=O)O;PLYSJFSWFXSZLU-UHFFFAOYSA-N;146.1;-0.6;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_P1";;;;;;;-1.06;;-8.03;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM401006;MM401006;C=CC(=CF)C(CN)NC;MQAFXWHTEAHECY-UHFFFAOYSA-N;144.19;0.57;;;;;DOPC;MDCG;27;1;"MARTINI bead: P2_Nda";;;;;;;-0.24;;-5.38;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM401007;MM401007;Cc1cnc(N)c(=O)n1C;HTNCBVSBTJMODY-UHFFFAOYSA-N;139.16;-0.33;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP1_SP2";;;;;;;-1.06;;-3.82;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM401008;MM401008;CC=C(C=O)C(CO)NC;DDMCAULXGIXXKH-UHFFFAOYSA-N;143.19;-0.29;;;;;DOPC;MDCG;27;1;"MARTINI bead: P2_Na";;;;;;;-0.24;;-4.46;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM401009;MM401009;CC=CC(C)=NN=CNN;RHRXSTBUBHTDAA-UHFFFAOYSA-N;140.19;0.43;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1_P4";;;;;;;0.85;;-0.64;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM401010;MM401010;C=CCCC(O)CC;XFXWEAWJVWCOBF-UHFFFAOYSA-N;114.19;1.72;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda_C3";;;;;;;2.57;;0.44;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM401011;MM401011;C=CC1(C(=O)NOC)CO1;QASJBUQPFGONJG-UHFFFAOYSA-N;143.14;-0.38;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_SNa";;;;;;;-0.24;;-7.46;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM401012;MM401012;C#CCC(O)(C=C)CC;CUGMHKLTUAYTMR-UHFFFAOYSA-N;124.18;1.34;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_N0";;;;;;;1.94;;0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM401013;MM401013;COCCONC(=O)C#N;MNJOJLDVBUSQIN-UHFFFAOYSA-N;144.13;-0.8;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_P2";;;;;;;-0.24;;-7.46;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM401014;MM401014;C=CC(=NO)C(CC)NC;RVGLIKIPXKNKCX-UHFFFAOYSA-N;142.2;1;;;;;DOPC;MDCG;27;1;"MARTINI bead: C4_P3";;;;;;;0.23;;-2.36;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM401015;MM401015;N#Cc1noc(O)n1;ZTFSXBYVHXLHNV-UHFFFAOYSA-N;111.06;-0.35;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP1_SNa";;;;;;;0.04;;-6.8;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM401016;MM401016;C=CC(=CC)C(CO)OC;IAKRKTSACXSUIK-UHFFFAOYSA-N;142.2;1.13;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_C1";;;;;;;1.8;;0.4;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM401017;MM401017;Oc1onc(F)c1O;ZKUGLBXFSUJPOF-UHFFFAOYSA-N;119.05;0.22;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP1_SNa";;;;;;;0.04;;-6.8;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM401018;MM401018;C=CC(=CF)C(CO)OC;RQVGHAXYIFIXPW-UHFFFAOYSA-N;146.16;1.03;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda_Na";;;;;;;0.87;;-1.99;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM401019;MM401019;Cn1c(N)nnc(N)c1=N;GULYQRUXQSXHDG-UHFFFAOYSA-N;140.15;-1.54;;;;;DOPC;MDCG;27;1;"MARTINI bead: SP2_SP3";;;;;;;-2.2;;-7.03;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM401020;MM401020;CC1C(C)(C)C1(C)CO;ISHBDCHKWWXYCD-UHFFFAOYSA-N;128.22;1.66;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC4_Nda";;;;;;;2.2;;0.49;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM401021;MM401021;CC(C=CF)=NN=CNN;AAHWHPCTEVDMMW-UHFFFAOYSA-N;144.15;0.34;;;;;DOPC;MDCG;27;0;"MARTINI bead: C3_P4";;;;;;;0.52;;-1.59;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM401022;MM401022;CC(O)CONC(=O)C#N;BWOWBCLKEJDVBB-UHFFFAOYSA-N;144.13;-1.06;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_P1";;;;;;;-1.06;;-8.03;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM401023;MM401023;COC(CO)C(C=O)=CF;HZTQSCFDRYDHMU-UHFFFAOYSA-N;148.13;0.05;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_Na";;;;;;;-0.24;;-3.24;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM401024;MM401024;N#CC(=O)NOCCO;VIZQGWGUBCRXRL-UHFFFAOYSA-N;130.1;-1.45;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_P2";;;;;;;-1.06;;-8.03;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM401025;MM401025;COC(CF)C(C#N)=CN;DJUMCALENFYPLU-UHFFFAOYSA-N;144.15;0.34;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_P1";;;;;;;0.04;;-2.54;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM401026;MM401026;O=C(O)COC(=O)C=NO;MVVDBKIZRIRJJL-UHFFFAOYSA-N;147.09;-0.93;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_P1";;;;;;;-0.79;;-7.4;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM401027;MM401027;O=C(O)C#CCC1CO1;RFLXJOHWPQIGME-UHFFFAOYSA-N;126.11;-0.14;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_SNa";;;;;;;0.04;;-7.24;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM401028;MM401028;N=c1c(=O)[nH]nc(N)n1O;CEVAQOWHCLQNHX-UHFFFAOYSA-N;143.11;-2.13;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP2_SP3";;;;;;;-2.2;;-5.19;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM401029;MM401029;C=CC(=CF)C(OC)OC;ACTXGMZGYSPPGX-UHFFFAOYSA-N;146.16;1.64;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_C4";;;;;;;1.37;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM401030;MM401030;Cc1coc(=O)c(=N)n1C;YMZDSALGCTXMRI-UHFFFAOYSA-N;140.14;-0.23;;;;;DOPC;MDCG;27;0;"MARTINI bead: SN0_SP2";;;;;;;0.06;;-2.21;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM401031;MM401031;COC(OC)C(C=O)=CN;NDQXDOJVVDGJCU-UHFFFAOYSA-N;145.16;-0.35;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_P2";;;;;;;-1.06;;-3.82;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM401032;MM401032;Cn1c(F)coc(=O)c1=N;LRUMHNPZBBYFTO-UHFFFAOYSA-N;144.11;-0.4;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNa_SP2";;;;;;;-0.24;;-3.24;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM401033;MM401033;COC(OC)C(C#N)=CN;IMOGCDCSAUFPKM-UHFFFAOYSA-N;142.16;-0.03;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_P2";;;;;;;-0.24;;-3.24;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM401034;MM401034;Cc1coc(=O)c(=N)n1N;BMWPFYYSROIQIS-UHFFFAOYSA-N;141.13;-1.06;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP1_SP2";;;;;;;-1.06;;-3.82;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM401035;MM401035;O=C(O)C(=O)C(F)CO;PJCHKOIGHCWGNI-UHFFFAOYSA-N;136.08;-1.03;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_P1";;;;;;;-1.06;;-8.41;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM401036;MM401036;N=c1c(=O)occ(N)n1N;CMNHBVJLCYWMHW-UHFFFAOYSA-N;142.12;-1.78;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP2_SP2";;;;;;;-1.34;;-4.31;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM401037;MM401037;C=Cc1n[nH]n(O)c1=O;AEZJIGLRFQOHMT-UHFFFAOYSA-N;127.1;-0.55;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP3_SP1";;;;;;;-1.93;;-8.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM401038;MM401038;N=c1c(=O)occ(F)n1N;PSZFKCBSSZBPNU-UHFFFAOYSA-N;145.09;-1.23;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP2_SP2";;;;;;;-1.34;;-4.31;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM401039;MM401039;C=CC(=NO)N(CC)OC;ASPVRDJAYQHTST-UHFFFAOYSA-N;144.17;0.84;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_N0";;;;;;;0.34;;-1.53;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM401040;MM401040;CN(C=NN)C(=N)C=NN;NSOOELQSASZXDB-UHFFFAOYSA-N;142.17;-1.26;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_P2";;;;;;;-1.06;;-3.82;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM401041;MM401041;CCN(OC)C(C=O)=NO;MAHDZQMUHANGKG-UHFFFAOYSA-N;146.15;-0.14;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_P3";;;;;;;-0.33;;-2.01;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM401042;MM401042;C=C(F)C(C)=NN=CNN;BWYVWCDMBHVJRA-UHFFFAOYSA-N;144.15;0.34;;;;;DOPC;MDCG;27;0;"MARTINI bead: P4_C3";;;;;;;0.52;;-1.59;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM401043;MM401043;C#CC(=CF)C(CO)CO;YBZJGOPFXIBVMP-UHFFFAOYSA-N;144.15;0.07;;;;;DOPC;MDCG;27;0;"MARTINI bead: P3_C5";;;;;;;-0.33;;-2.01;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM401044;MM401044;N=c1c(=O)occ(F)n1O;JZSKNUOGOQGDDS-UHFFFAOYSA-N;146.08;-0.7;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP1_SP2";;;;;;;-1.06;;-3.82;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM401045;MM401045;C#CC(=CF)C(OC)OC;HNNGDXFUWRYOQS-UHFFFAOYSA-N;144.15;1.09;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_C5";;;;;;;0.81;;-0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM401046;MM401046;Cc1coc(=O)c(=O)n1C;CWOZSIUAJRKYLN-UHFFFAOYSA-N;141.13;-0.35;;;;;DOPC;MDCG;27;0;"MARTINI bead: SN0_SP2";;;;;;;0.06;;-2.21;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM401047;MM401047;C#CC(=NO)N(CC)OC;JSOZUYJPJUATOY-UHFFFAOYSA-N;142.16;0.29;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_P2";;;;;;;0.54;;-1.09;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM401048;MM401048;Cn1c(N)coc(=O)c1=O;IOBXNIHQQUAKEZ-UHFFFAOYSA-N;142.11;-1.08;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP2_SP2";;;;;;;-1.34;;-4.31;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM401049;MM401049;C=CC(CN)C(=CF)CC;GCZFBWIUCNAFLG-UHFFFAOYSA-N;143.21;2.01;;;;;DOPC;MDCG;27;1;"MARTINI bead: C3_Nd";;;;;;;2.57;;-1.44;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM401050;MM401050;O=CC(=NO)OCC(=O)O;IDIPKSRXMLHJKH-UHFFFAOYSA-N;147.09;-0.93;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_P2";;;;;;;-1.06;;-8.03;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM401051;MM401051;C=CC(CN)C(=CF)CN;YJJUVHVCKBNNJY-UHFFFAOYSA-N;144.19;0.56;;;;;DOPC;MDCG;27;1;"MARTINI bead: P2_Nda";;;;;;;-0.24;;-6.1;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM401052;MM401052;Cn1c(F)coc(=O)c1=O;PBQZUQQYWUCNBO-UHFFFAOYSA-N;145.09;-0.52;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNa_SP2";;;;;;;-0.24;;-3.24;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM401053;MM401053;C=CC(CN)C(=CF)CF;QTBWATZWDKDPJQ-UHFFFAOYSA-N;147.17;1.57;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nda_Na";;;;;;;0.87;;-4.71;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM401054;MM401054;Cc1coc(=O)c(=O)n1N;RYCRINFTNKHUBX-UHFFFAOYSA-N;142.11;-1.18;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP1_SP2";;;;;;;-1.06;;-3.82;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM401055;MM401055;CCC(=NO)C(C=O)CC;CRUIDTQMUCDAIO-UHFFFAOYSA-N;143.19;1.45;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_Nda";;;;;;;1.64;;0.05;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM401056;MM401056;Nc1coc(=O)c(=O)n1N;SMOKLSODSONXJU-UHFFFAOYSA-N;143.1;-1.9;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP3_SP2";;;;;;;-2.2;;-5.19;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM401057;MM401057;C=NN=c1cnoc(O)n1;QHPJEGQOFKFZJI-UHFFFAOYSA-N;140.1;-0.71;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP3_SP3";;;;;;;-3.07;;-10.16;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM401058;MM401058;N#Cc1[nH]nc(F)c1O;NYKXOZIMOGTPAJ-UHFFFAOYSA-N;127.08;0.13;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNda_SNd";;;;;;;0.87;;-6.2;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM401059;MM401059;CC=NN=c1[nH]oc(=O)o1;BFMKDWYMWYIMOI-UHFFFAOYSA-N;143.1;-0.53;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_SP2";;;;;;;-1.06;;-8.41;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM401060;MM401060;Nn1c(F)coc(=O)c1=O;IHJOWQDHIWDIKI-UHFFFAOYSA-N;146.08;-1.35;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP2_SP2";;;;;;;-1.34;;-4.31;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM401061;MM401061;CCC(C=O)C(=NC)NC;YKKNRGNIPJWVKK-UHFFFAOYSA-N;142.2;0.46;;;;;DOPC;MDCG;27;1;"MARTINI bead: C5_P1";;;;;;;0.81;;-3.96;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM401062;MM401062;OCc1n[nH]c(=NO)o1;GTKPQCOEQLOHHN-UHFFFAOYSA-N;131.09;-1.22;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP2_SP3";;;;;;;-2.2;;-9.19;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM401063;MM401063;CC(=O)C1(C)CN1C=O;SISAMPGOJJRLHJ-UHFFFAOYSA-N;127.14;-0.19;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_SP1";;;;;;;0.04;;-2.54;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM401064;MM401064;C=CCc1cc(O)on1;KPQKLGPUXFRROJ-UHFFFAOYSA-N;125.13;1.11;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNda_SC5";;;;;;;1.64;;-4.15;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM401065;MM401065;C=CC(CO)C(=NO)NO;BHWIHWYSLNLWCL-UHFFFAOYSA-N;146.15;-0.45;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda_P4";;;;;;;-1.19;;-4.91;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM401066;MM401066;N=c1cc(O)oc(CF)n1;BXCCPZHXQSFPOS-UHFFFAOYSA-N;144.11;0.33;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_SP3";;;;;;;-1.1;;-8.21;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM401067;MM401067;O=CC(CO)C(=NO)NO;VFGMUTBMOZHAHM-UHFFFAOYSA-N;148.12;-1.44;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_P4";;;;;;;-2.29;;-5.95;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM401068;MM401068;NC=NN=CC(=O)O;LMJYKIOWQXCVIM-UHFFFAOYSA-N;115.09;-0.96;;;;;DOPC;MDCG;27;0;"MARTINI bead: P3_P1";;;;;;;-1.93;;-8.69;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM401069;MM401069;CC=C(OC)C(C#N)CO;FDHDKGZGHZICIX-UHFFFAOYSA-N;141.17;0.67;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_P2";;;;;;;0.54;;-1.09;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM401070;MM401070;Cc1noc(=O)c(=N)n1C;JFLJVOUBGCFZLI-UHFFFAOYSA-N;141.13;-0.84;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP2_SP3";;;;;;;-2.2;;-5.19;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM401071;MM401071;C=CC(CN)C(=NO)OC;VHVUEUJVWCLIDH-UHFFFAOYSA-N;144.17;0.18;;;;;DOPC;MDCG;27;1;"MARTINI bead: P2_Nd";;;;;;;-0.24;;-5.7;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM401072;MM401072;C#CCC1(O)CCC1C#C;JVZDWVQYCSORGT-UHFFFAOYSA-N;134.18;0.78;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNda_SC5";;;;;;;1.64;;0.05;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM401073;MM401073;C=CC(NC)C(=CF)CC;FIYKFZXXJJJENS-UHFFFAOYSA-N;143.21;2.02;;;;;DOPC;MDCG;27;1;"MARTINI bead: Na_C4";;;;;;;2.2;;-0.69;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM401074;MM401074;Cn1c(O)nc(O)nc1=O;JKFBDXNBNZXCCV-UHFFFAOYSA-N;143.1;-1.41;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP3_SP1";;;;;;;-1.93;;-8.7;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM401075;MM401075;C=CC(NC)C(=CF)CF;WHYXVOCBLKWYTM-UHFFFAOYSA-N;147.17;1.58;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nda_Na";;;;;;;0.87;;-3.03;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM401076;MM401076;Cc1noc(=O)c(=N)n1N;LEHHIZZFBIBYOA-UHFFFAOYSA-N;142.12;-1.66;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP2_SP3";;;;;;;-2.2;;-5.19;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM401077;MM401077;CCC(=CF)C(C#N)NC;DNAOCCNCCSBRFW-UHFFFAOYSA-N;142.18;1.36;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_Nd";;;;;;;0.87;;-1.88;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM401078;MM401078;C=CC=C1CC2CC2(O)C1;GODSXTSOYOXOTF-UHFFFAOYSA-N;136.19;1.64;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP1_SC2";;;;;;;2;;0.29;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM401079;MM401079;CC=CCCC(O)CC;GNODLGXMSNMNAM-UHFFFAOYSA-N;128.22;2.11;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda_C2";;;;;;;2.83;;0.57;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM401080;MM401080;CONC(=O)C1(F)CC1;LTWLTEIRBJIGHA-UHFFFAOYSA-N;133.12;0.17;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_SNa";;;;;;;-0.24;;-7.47;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM401081;MM401081;CC=C(OC)C(C#N)NC;QDVWXHOUCCXRFK-UHFFFAOYSA-N;140.19;0.65;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_C5";;;;;;;0.54;;-1.09;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM401082;MM401082;Cc1noc(=O)c(=N)n1O;ZDPFTXHAFJAHTF-UHFFFAOYSA-N;143.1;-1.14;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP2_SP3";;;;;;;-2.2;;-5.19;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM401083;MM401083;CNC(C#N)C(=CF)OC;CSVBYCRSZCVXSE-UHFFFAOYSA-N;144.15;0.56;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_N0";;;;;;;0.06;;-2.21;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM401084;MM401084;O=CC=C1CC2CC2(O)C1;MGEOZSULESMCEW-UHFFFAOYSA-N;138.17;0.66;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP1_SC5";;;;;;;0.81;;-0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM401085;MM401085;NN=c1[nH]c(O)no1;JFLCVEJLNRGUTE-UHFFFAOYSA-N;116.08;-1.52;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP3_SP1";;;;;;;-1.93;;-8.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM401086;MM401086;O=C1N=NC(=CO)N1;SAZKAAQJZJXBJD-UHFFFAOYSA-N;113.08;0.52;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP1_SP1";;;;;;;-0.79;;-7.41;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM401087;MM401087;COC(C#N)C(=CF)CO;RMULTADDIHAIQL-UHFFFAOYSA-N;145.13;0.37;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_Na";;;;;;;-0.24;;-3.24;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM401088;MM401088;Cc1noc(=O)c(=O)n1C;DKRYJMYKAKIMCA-UHFFFAOYSA-N;142.11;-0.96;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP2_SP2";;;;;;;-1.34;;-4.31;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM401089;MM401089;C=CC(OC)C(=NC)NC;MIQLZPJLGRVWKM-UHFFFAOYSA-N;142.2;0.44;;;;;DOPC;MDCG;27;1;"MARTINI bead: P2_C5";;;;;;;0.54;;-4.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM401090;MM401090;Cn1c(N)noc(=O)c1=O;WHGCXITWCMQKOA-UHFFFAOYSA-N;143.1;-1.68;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP3_SP3";;;;;;;-3.07;;-6.15;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM401091;MM401091;CN=C(NC)C(C=O)OC;MCWQYNFMAAKNOA-UHFFFAOYSA-N;144.17;-0.55;;;;;DOPC;MDCG;27;1;"MARTINI bead: P2_Na";;;;;;;-0.24;;-5.35;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM401092;MM401092;CONC(=O)C(=O)NOC;KEZFYZLGANJEQP-UHFFFAOYSA-N;148.12;-1.66;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_P2";;;;;;;-1.34;;-8.54;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM401093;MM401093;CC=C(OC)C(C=O)OC;DMPYRMVDUSQXLZ-UHFFFAOYSA-N;144.17;0.75;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_C5";;;;;;;0.81;;-0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM401094;MM401094;Cc1noc(=O)c(=O)n1N;DTGQUCAUBCVRFI-UHFFFAOYSA-N;143.1;-1.78;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP2_SP3";;;;;;;-2.2;;-5.19;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM401095;MM401095;CC=C(OC)C(C#N)OC;MJBRGMPOPDSOOV-UHFFFAOYSA-N;141.17;1.08;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_C5";;;;;;;0.81;;-0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM401096;MM401096;C=CC(C)CCC(O)CC;LOOXFHXVVDRFPA-UHFFFAOYSA-N;142.24;2.36;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda_C2";;;;;;;2.83;;0.57;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM401097;MM401097;COC(=CF)C(C=O)OC;XYJTWZXXHGCMSJ-UHFFFAOYSA-N;148.13;0.66;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_N0";;;;;;;0.34;;-1.53;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM401098;MM401098;CCOCCC#CC(=O)O;FKEMPDZYEIVCEI-UHFFFAOYSA-N;142.15;0.5;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_P1";;;;;;;0.81;;-4.75;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM401099;MM401099;COC(=CF)C(C#N)OC;RMICTHHUVCZNCT-UHFFFAOYSA-N;145.13;0.98;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_N0";;;;;;;0.34;;-1.53;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM401100;MM401100;O=C(O)C(CO)=NO;TYDNXKXKWYIXGE-UHFFFAOYSA-N;119.08;-1.11;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_P1";;;;;;;-1.06;;-8.04;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM401101;MM401101;CCC(O)CCC=CF;DHTKRWQREFLZHX-UHFFFAOYSA-N;132.18;2.02;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda_C4";;;;;;;2.2;;0.49;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM401102;MM401102;O=c1oc(O)c(CCO)o1;YXRUHJUDCPUOIB-UHFFFAOYSA-N;146.1;-0.53;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_SP2";;;;;;;-1.06;;-8.04;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM401103;MM401103;CCC(=CF)N(C=O)CC;ZCKREFIHGNKLNA-UHFFFAOYSA-N;145.18;1.69;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_C3";;;;;;;1.74;;0.29;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM401104;MM401104;Oc1cn(O)nn1;XDVKHDOWOBQZAC-UHFFFAOYSA-N;101.07;-0.78;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP2_SP2";;;;;;;-1.34;;-8.54;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM401105;MM401105;C=CN(CC)C(CO)=NO;XWPLFVDTECQFTI-UHFFFAOYSA-N;144.17;0.23;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nd_P2";;;;;;;-0.24;;-3.16;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM401106;MM401106;C=C1C(=C)C(C)NN=C1C;VXSVMWHRAIIQOT-UHFFFAOYSA-N;136.2;1.47;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNd_SP1";;;;;;;0.04;;-2.63;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM401107;MM401107;CCN(C=N)C(CO)=NC;CQXKJUWYTWQGGK-UHFFFAOYSA-N;143.19;-0.06;;;;;DOPC;MDCG;27;1;"MARTINI bead: C5_P3";;;;;;;-0.33;;-3.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM401108;MM401108;C=C1C(=C)C(C)OC=C1C;HYNSQQVJMQYMFX-UHFFFAOYSA-N;136.19;2.42;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC5_SC5";;;;;;;2.41;;0.64;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM401109;MM401109;CCN(C=O)C(CO)=NN;OIRDUYJQULUHMS-UHFFFAOYSA-N;145.16;-1.27;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_P2";;;;;;;-1.06;;-3.82;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM401110;MM401110;C=C1C(=C)C(C)ON=C1C;LKJIAEJGRKRKGX-UHFFFAOYSA-N;137.18;1.89;;;;;DOPC;MDCG;27;0;"MARTINI bead: SN0_SN0";;;;;;;1.47;;-0.05;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM401111;MM401111;CCN(C=O)C(CO)=NO;UHQYFVYTGOGMSD-UHFFFAOYSA-N;146.15;-0.76;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_P2";;;;;;;-1.06;;-3.82;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM401112;MM401112;Oc1nn(O)c(F)c1F;GMMXNZAUEDVKNA-UHFFFAOYSA-N;136.06;0.1;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNda_SNda";;;;;;;0.87;;-6.36;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM401113;MM401113;C=CN(CC)C(=NN)NN;FILDGBXEHCBNBN-UHFFFAOYSA-N;143.19;-0.86;;;;;DOPC;MDCG;27;1;"MARTINI bead: C5_P3";;;;;;;-0.33;;-4.96;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM401114;MM401114;C=C(C=O)C(=NO)C(=O)O;FMTSBYSYAUMLMR-UHFFFAOYSA-N;143.1;-0.34;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_Na";;;;;;;-0.24;;-7.47;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM401115;MM401115;C=CN(CC)C(=NN)NO;QCJANXBZQNVDCU-UHFFFAOYSA-N;144.18;-0.34;;;;;DOPC;MDCG;27;1;"MARTINI bead: C5_P3";;;;;;;-0.33;;-3.56;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM401116;MM401116;Cc1con(C)c(=N)c1=O;IVEWVEJCGSKCFE-UHFFFAOYSA-N;140.14;-0.23;;;;;DOPC;MDCG;27;0;"MARTINI bead: SN0_SP2";;;;;;;0.06;;-2.21;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM401117;MM401117;CCN(C=N)C(=NC)NO;SHMPREPKKMAICI-UHFFFAOYSA-N;144.18;-0.12;;;;;DOPC;MDCG;27;1;"MARTINI bead: C5_P3";;;;;;;-0.33;;-3.96;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM401118;MM401118;Cn1occ(N)c(=O)c1=N;VPBNJKZYAAZLII-UHFFFAOYSA-N;141.13;-0.96;;;;;DOPC;MDCG;27;0;"MARTINI bead: SN0_SP3";;;;;;;-0.8;;-2.99;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM401119;MM401119;C=CC1(O)CCC=C1C;GQZADPADHNCYSX-UHFFFAOYSA-N;124.18;1.64;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC4_SNda";;;;;;;2.2;;0.49;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM401120;MM401120;Cn1occ(F)c(=O)c1=N;GVQGHEDVSNZBCZ-UHFFFAOYSA-N;144.11;-0.4;;;;;DOPC;MDCG;27;0;"MARTINI bead: SN0_SP1";;;;;;;0.34;;-1.53;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM401121;MM401121;CCN(C=O)C(=NO)OC;KQDXXIWZZRRMAC-UHFFFAOYSA-N;146.15;-0.14;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_P3";;;;;;;-0.33;;-2.01;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM401122;MM401122;Cc1con(N)c(=N)c1=O;AAZNMYRFNYOOCB-UHFFFAOYSA-N;141.13;-1.06;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP1_SP2";;;;;;;-1.06;;-3.82;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM401123;MM401123;CC=C(CO)N(C=N)NC;BCCMGHLDXRYZTC-UHFFFAOYSA-N;143.19;-0.07;;;;;DOPC;MDCG;27;1;"MARTINI bead: P4_C5";;;;;;;-0.41;;-4.7;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM401124;MM401124;N=c1c(=O)c(N)con1N;ADMUCNDOTSRLQH-UHFFFAOYSA-N;142.12;-1.78;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP1_SP3";;;;;;;-1.93;;-4.72;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM401125;MM401125;CC=C(CF)N(C=N)NC;DKPMLTYKLKBIMM-UHFFFAOYSA-N;145.18;0.9;;;;;DOPC;MDCG;27;1;"MARTINI bead: P4_C4";;;;;;;0.15;;-4.02;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM401126;MM401126;N=c1c(=O)c(F)con1N;XCGCOEMTVXYMEL-UHFFFAOYSA-N;145.09;-1.23;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP1_SP1";;;;;;;-0.79;;-3.13;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM401127;MM401127;CCC1=CC(C)C(O)C1;XBVGFLIPSLNXAO-UHFFFAOYSA-N;126.2;1.72;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC2_SNda";;;;;;;2.83;;0.57;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM401128;MM401128;C#CC(=NN)NCC(=C)F;NVGHIYNNMSMRQQ-UHFFFAOYSA-N;141.15;-0.04;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_C5";;;;;;;0.54;;-1.09;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM401129;MM401129;C=C1CCC(O)CC1=C;POILFERUCOGZKB-UHFFFAOYSA-N;124.18;1.64;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNda_SC3";;;;;;;2.57;;0.44;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM401130;MM401130;CNC(C=O)C=NN(C)C;NJIXLHKXYYPTSD-UHFFFAOYSA-N;143.19;-0.68;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_P1";;;;;;;-1.06;;-3.82;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM401131;MM401131;C=CN(NC)C(=NC)NC;IDNJTCGLPWXXNX-UHFFFAOYSA-N;142.21;-0.23;;;;;DOPC;MDCG;27;1;"MARTINI bead: P2_Nd";;;;;;;-0.24;;-7.7;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM401132;MM401132;CNN=CC(=O)CCCF;HTIABGDMIHXNHL-UHFFFAOYSA-N;146.17;0.51;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_C5";;;;;;;0.81;;-0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM401133;MM401133;C=CN(NC)C(=NN)NC;SJCPOSVLXRIVDB-UHFFFAOYSA-N;143.19;-0.98;;;;;DOPC;MDCG;27;1;"MARTINI bead: N0_P3";;;;;;;-0.8;;-6.15;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM401134;MM401134;Cn1occ(F)c(=O)c1=O;NJYPAXLWRBRSJU-UHFFFAOYSA-N;145.09;-0.52;;;;;DOPC;MDCG;27;0;"MARTINI bead: SN0_SP1";;;;;;;0.34;;-1.53;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM401135;MM401135;C=CN(NC)C(=NC)NN;SJCPOSVLXRIVDB-UHFFFAOYSA-N;143.19;-0.98;;;;;DOPC;MDCG;27;1;"MARTINI bead: P5_N0";;;;;;;-0.81;;-7.16;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM401136;MM401136;Nn1occ(F)c(=O)c1=O;QQKPXTJTGRELGL-UHFFFAOYSA-N;146.08;-1.35;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP1_SP1";;;;;;;-0.79;;-3.13;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM401137;MM401137;C=CN(NC)C(=NC)NO;XVFUADXGJLYHDL-UHFFFAOYSA-N;144.18;-0.47;;;;;DOPC;MDCG;27;1;"MARTINI bead: N0_P3";;;;;;;-0.8;;-5.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM401138;MM401138;O=CC1=NC(=CO)C=N1;GOJMPJMJCMGDRW-UHFFFAOYSA-N;124.1;0.07;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNda_SP1";;;;;;;0.04;;-6.99;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM401139;MM401139;CCCc1nc(N)co1;YSYHOZMPICBIBI-UHFFFAOYSA-N;126.16;1.21;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC5_SP1";;;;;;;0.81;;-0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM401140;MM401140;ONc1cc(O)on1;UZPAKWOPNKEGPL-UHFFFAOYSA-N;116.08;0.18;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNda_SNda";;;;;;;0.87;;-6.36;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM401141;MM401141;C=Nn1oc(N)nc1=O;QMTYGQBVFFFUHZ-UHFFFAOYSA-N;128.09;-1.12;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP1_SP3";;;;;;;-1.93;;-4.72;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM401142;MM401142;C=C1C(C)=CC=C(C)C1C;KDSIWBAHLBHVHC-UHFFFAOYSA-N;134.22;3.08;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC3_SC3";;;;;;;4.27;;0.2;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM401143;MM401143;CNN(C=O)C(=NO)NO;FNPXPLTWLNIELW-UHFFFAOYSA-N;148.12;-1.7;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_P4";;;;;;;-2.29;;-5.95;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM401144;MM401144;N#CC(=O)NOCC=NO;SVSHHGMIUPJHSQ-UHFFFAOYSA-N;143.1;-0.98;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_P2";;;;;;;-1.06;;-8.04;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM401145;MM401145;CCC1=CCC(O)C1C;ZFZMGHTVSYCSBQ-UHFFFAOYSA-N;126.2;1.72;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC1_SNda";;;;;;;2.91;;0.57;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM401146;MM401146;Cc1ccc(C)n(C)c1=N;VPBOYLDBTBUFJK-UHFFFAOYSA-N;136.2;1.12;;;;;DOPC;MDCG;27;1;"MARTINI bead: SN0_SNd";;;;;;;1.17;;-6.81;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM401147;MM401147;CON(C=O)C(=CF)CO;XKZNQPBNTQVESM-UHFFFAOYSA-N;149.12;-0.19;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_Nda";;;;;;;-0.24;;-3.31;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM401148;MM401148;C=CC1CCC2(O)CC12;SSCBVBFQVIKVCA-UHFFFAOYSA-N;124.18;1.33;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNda_SC2";;;;;;;2.83;;0.57;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM401149;MM401149;Cc1ccc(N)c(=N)n1C;PURGIBNYVPGDCJ-UHFFFAOYSA-N;137.19;0.4;;;;;DOPC;MDCG;27;1;"MARTINI bead: SNd_SNd";;;;;;;0.87;;-5.91;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM401150;MM401150;C=CC(C)(O)CCC(=C)C;NDYNVFIHCSVWTI-UHFFFAOYSA-N;140.23;2.28;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1_Nda";;;;;;;2.91;;0.57;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM401151;MM401151;Cc1ccc(F)c(=N)n1C;CZUAKIACBTXBQB-UHFFFAOYSA-N;140.16;0.95;;;;;DOPC;MDCG;27;1;"MARTINI bead: SN0_SNda";;;;;;;1.17;;-3.24;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM401152;MM401152;C=CN(OC)C(=NC)NC;VQDHMRVYXYLEBQ-UHFFFAOYSA-N;143.19;0.2;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1_N0";;;;;;;0.34;;-4.73;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM401153;MM401153;Cc1ccc(N)n(C)c1=N;DTSAUBSDPRYCJJ-UHFFFAOYSA-N;137.19;0.4;;;;;DOPC;MDCG;27;1;"MARTINI bead: SN0_SP1";;;;;;;0.34;;-7.18;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM401154;MM401154;C=CN(OC)C(=NN)NN;IYRWFISSRICUPQ-UHFFFAOYSA-N;145.17;-1.31;;;;;DOPC;MDCG;27;1;"MARTINI bead: N0_P5";;;;;;;-0.81;;-5.41;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM401155;MM401155;Cn1c(N)ccc(N)c1=N;YIRUYHAFUUIEAL-UHFFFAOYSA-N;138.17;-0.33;;;;;DOPC;MDCG;27;1;"MARTINI bead: SP1_SNd";;;;;;;0.04;;-7.53;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM401156;MM401156;C=C(C)C=CC(C)(O)CC;SZHUIIRWMQAGMV-UHFFFAOYSA-N;140.23;2.28;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda_C3";;;;;;;2.57;;0.44;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM401157;MM401157;Cn1c(N)ccc(O)c1=N;NXWRVSDAQAMGFP-UHFFFAOYSA-N;139.16;-0.21;;;;;DOPC;MDCG;27;1;"MARTINI bead: SNd_SP1";;;;;;;0.04;;-8.35;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM401158;MM401158;CC=C(OC)N(C=O)OC;MFGIVWUMIMOYPR-UHFFFAOYSA-N;145.16;0.51;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_C5";;;;;;;0.54;;-1.09;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM401159;MM401159;Cn1c(N)ccc(F)c1=N;FNDRFXBBVQXESM-UHFFFAOYSA-N;141.15;0.23;;;;;DOPC;MDCG;27;1;"MARTINI bead: SP1_SNa";;;;;;;0.04;;-5.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM401160;MM401160;C=CN(OC)C(=NO)OC;GDYGUDYDXUOKEP-UHFFFAOYSA-N;146.15;0.38;;;;;DOPC;MDCG;27;0;"MARTINI bead: N0_P2";;;;;;;0.06;;-2.21;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM401161;MM401161;Cc1ccc(F)n(C)c1=N;RPVASVLTOASBNF-UHFFFAOYSA-N;140.16;0.95;;;;;DOPC;MDCG;27;1;"MARTINI bead: SN0_SNda";;;;;;;1.17;;-4.16;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM401162;MM401162;CCC#CC(C)C(C)(C)O;NLNRCSAPJDJRAJ-UHFFFAOYSA-N;140.23;1.81;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1_Nda";;;;;;;2.91;;0.57;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM401163;MM401163;Cn1c(F)ccc(F)c1=N;ZXIRADHFEVMFRB-UHFFFAOYSA-N;144.12;0.78;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNda_SNa";;;;;;;0.87;;-1.99;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM401164;MM401164;COC(=NN)N(C=O)OC;FLBQZCFKKPGYEE-UHFFFAOYSA-N;147.13;-1.12;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_P1";;;;;;;-1.06;;-3.82;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM401165;MM401165;Cc1ccc(C)n(C)c1=O;ZEMREZVDPYNKNL-UHFFFAOYSA-N;137.18;1;;;;;DOPC;MDCG;27;0;"MARTINI bead: SN0_SNa";;;;;;;1.17;;-1.18;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM401166;MM401166;C=CC(=CF)C(C=O)CC;BNIQCTXJBZGTBK-UHFFFAOYSA-N;142.17;2.25;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_C4";;;;;;;2.97;;0.45;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM401167;MM401167;Cc1ccc(N)c(=O)n1C;VFLVYBUNQQTDOV-UHFFFAOYSA-N;138.17;0.28;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNd_SNa";;;;;;;0.87;;-1.88;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM401168;MM401168;C=CC(=CF)C(C=C)CN;GLBCBFJFQRREPK-UHFFFAOYSA-N;141.19;1.79;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_C4";;;;;;;2.2;;-2.13;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM401169;MM401169;Cc1ccc(F)c(=O)n1C;JIVOHLTZBSDRTI-UHFFFAOYSA-N;141.15;0.83;;;;;DOPC;MDCG;27;0;"MARTINI bead: SN0_SNa";;;;;;;1.17;;-1.18;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM401170;MM401170;C=CC(=CC)C(C#N)CO;HGYMNZXORJKCDZ-UHFFFAOYSA-N;137.18;1.25;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1_P2";;;;;;;1.8;;0.4;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM401171;MM401171;Cc1ccc(N)n(C)c1=O;JFUCWQYZJUIYGS-UHFFFAOYSA-N;138.17;0.28;;;;;DOPC;MDCG;27;0;"MARTINI bead: SN0_SP2";;;;;;;0.06;;-2.21;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM401172;MM401172;N=c1nncc(C(=O)O)o1;UJWBRZMMILUZKY-UHFFFAOYSA-N;141.09;-0.75;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP4_SP3";;;;;;;-3.15;;-10.26;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM401173;MM401173;Cn1c(N)ccc(N)c1=O;MHNLHGWJHHSYBQ-UHFFFAOYSA-N;139.16;-0.45;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP2_SNd";;;;;;;-0.24;;-3.16;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM401174;MM401174;Cn1c(N)ccc(O)c1=O;OBBCFIYBKUTDLH-UHFFFAOYSA-N;140.14;-0.33;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNd_SP2";;;;;;;-0.24;;-3.16;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM401175;MM401175;Nc1n[nH]ncc(=O)c1=O;BTGPRYIRJKLUPU-UHFFFAOYSA-N;140.1;-1.89;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP3_SP3";;;;;;;-3.07;;-10.16;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM401176;MM401176;Cn1c(N)ccc(F)c1=O;SEICKYNAQUJLPR-UHFFFAOYSA-N;142.13;0.11;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNd_SNa";;;;;;;0.87;;-1.88;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM401177;MM401177;C#Cc1cc(O)[nH]n1;UKWXDXJOGNGXML-UHFFFAOYSA-N;108.1;0.1;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP1_SNda";;;;;;;0.04;;-7.4;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM401178;MM401178;Cc1ccc(F)n(C)c1=O;JFPLRAJRKKDXGX-UHFFFAOYSA-N;141.15;0.83;;;;;DOPC;MDCG;27;0;"MARTINI bead: SN0_SNa";;;;;;;1.17;;-1.18;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM401179;MM401179;C=NN(C)C(=N)CC(=O)O;VSTXCVAPUGBKSW-UHFFFAOYSA-N;143.15;-0.01;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_P1";;;;;;;-1.06;;-8.41;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM401180;MM401180;Cn1c(F)ccc(N)c1=O;ZLDDFUPMTFHBIJ-UHFFFAOYSA-N;142.13;0.11;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNa_SNd";;;;;;;0.87;;-1.88;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM401181;MM401181;O=c1[nH]c(O)c(F)c(=O)o1;ULZRITRAFOKURK-UHFFFAOYSA-N;147.06;-0.83;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP2_SP2";;;;;;;-1.34;;-8.92;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM401182;MM401182;Cn1c(F)ccc(F)c1=O;YRGXAONOFJNAQO-UHFFFAOYSA-N;145.11;0.66;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNa_SNa";;;;;;;0.87;;-2.22;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM401183;MM401183;O=Cn1nc(O)n(O)c1=O;QWAADRBBERLDGR-UHFFFAOYSA-N;145.07;-1.97;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP2_SP3";;;;;;;-2.2;;-9.43;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM401184;MM401184;Cc1ccc(C)n(N)c1=N;XDWQLOHBJILQJG-UHFFFAOYSA-N;137.19;0.3;;;;;DOPC;MDCG;27;1;"MARTINI bead: SN0_SNd";;;;;;;1.17;;-4.8;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM401185;MM401185;C=CC(=CF)C(C=C)NC;RCJSPNAKONLCQW-UHFFFAOYSA-N;141.19;1.8;;;;;DOPC;MDCG;27;1;"MARTINI bead: C5_Na";;;;;;;1.64;;-1.23;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM401186;MM401186;Cc1ccc(N)c(=N)n1N;ASPAEGCOXDYRPK-UHFFFAOYSA-N;138.17;-0.43;;;;;DOPC;MDCG;27;1;"MARTINI bead: SNd_SNd";;;;;;;0.87;;-3.53;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM401187;MM401187;C=CC(NC)C(C#N)=CN;CPICWDMPDBFEBE-UHFFFAOYSA-N;137.19;0.13;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nd_P2";;;;;;;-0.24;;-3.16;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM401188;MM401188;Cc1ccc(O)c(=N)n1N;CSYHYMRUJVSUQZ-UHFFFAOYSA-N;139.16;-0.3;;;;;DOPC;MDCG;27;1;"MARTINI bead: SNda_SNd";;;;;;;0.87;;-6.67;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM401189;MM401189;CC=NNC(C)(C)C(C)=O;WLGJDUFTYHJEDR-UHFFFAOYSA-N;142.2;0.95;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nd_Na";;;;;;;0.87;;-1.88;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM401190;MM401190;Cc1ccc(N)n(N)c1=N;FPVPGMBIJJGGCQ-UHFFFAOYSA-N;138.17;-0.43;;;;;DOPC;MDCG;27;1;"MARTINI bead: SN0_SP2";;;;;;;0.06;;-6.93;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM401191;MM401191;CNN=CC(=O)C=C(N)N;ZOWVQTUNMYNILW-UHFFFAOYSA-N;142.16;-1.48;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_P2";;;;;;;-1.06;;-3.82;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM401192;MM401192;N=c1c(N)ccc(N)n1N;ZGPQCMCRLYKQNP-UHFFFAOYSA-N;139.16;-1.15;;;;;DOPC;MDCG;27;1;"MARTINI bead: SNd_SP2";;;;;;;-0.24;;-6.05;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM401193;MM401193;CNC(C#N)C(C#N)=CN;ABMPEVHKTZIFES-UHFFFAOYSA-N;136.16;-0.54;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_P1";;;;;;;-1.06;;-3.82;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM401194;MM401194;N=c1c(F)ccc(N)n1N;NGWKASSPQRZBPY-UHFFFAOYSA-N;142.14;-0.6;;;;;DOPC;MDCG;27;1;"MARTINI bead: SNa_SP2";;;;;;;-0.24;;-4.47;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM401195;MM401195;O=c1c(F)c[nH]n1O;GSULNZDFVGWITR-UHFFFAOYSA-N;118.07;-0.45;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP2_SNa";;;;;;;-0.24;;-7.86;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM401196;MM401196;Cc1ccc(F)n(N)c1=N;OSPQHFGSJFWQQF-UHFFFAOYSA-N;141.15;0.13;;;;;DOPC;MDCG;27;1;"MARTINI bead: SN0_SP1";;;;;;;0.34;;-2.54;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM401197;MM401197;C#CCNC(=O)C(=O)O;TYOOIDURYVDUAA-UHFFFAOYSA-N;127.1;-1.18;;;;;DOPC;MDCG;27;0;"MARTINI bead: P3_N0";;;;;;;-0.8;;-7.21;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM401198;MM401198;N=c1c(N)ccc(F)n1N;BAJYXDITMQKIDU-UHFFFAOYSA-N;142.14;-0.6;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNd_SP1";;;;;;;0.04;;-2.63;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM401199;MM401199;C=CC=CCC(C)(O)C=C;NPKKQYHMAVGZGX-UHFFFAOYSA-N;138.21;2.06;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda_C1";;;;;;;2.91;;0.57;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM401200;MM401200;N=c1c(F)ccc(F)n1N;MSBNZYMVTPCITE-UHFFFAOYSA-N;145.11;-0.04;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP1_SNa";;;;;;;0.04;;-2.54;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM401201;MM401201;COC(C=O)C(C=O)=CF;DOWFXWIBKHACBC-UHFFFAOYSA-N;146.12;0.25;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_Na";;;;;;;0.04;;-2.54;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM401202;MM401202;Cc1ccc(C)n(O)c1=N;QWWDUCVOAICFTC-UHFFFAOYSA-N;138.17;0.82;;;;;DOPC;MDCG;27;1;"MARTINI bead: SN0_SNda";;;;;;;1.17;;-4.49;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM401203;MM401203;COC(C=O)C(C#N)=CF;YTHSZLMWEFMXSX-UHFFFAOYSA-N;143.12;0.58;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_Na";;;;;;;0.87;;-2.22;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM401204;MM401204;N=c1c(N)ccc(N)n1O;RZFWXHHWPOHDLP-UHFFFAOYSA-N;140.15;-0.63;;;;;DOPC;MDCG;27;1;"MARTINI bead: SNd_SP2";;;;;;;-0.24;;-5.74;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM401205;MM401205;CCN(C=O)C(C#N)=CN;AQOSJSKOQQDRDG-UHFFFAOYSA-N;139.16;-0.21;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_Nd";;;;;;;-0.24;;-3.16;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM401206;MM401206;CNN=CC(=O)C#CC#N;YVYUBGBHJNSHCU-UHFFFAOYSA-N;135.13;-0.71;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_N0";;;;;;;0.34;;-1.53;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM401207;MM401207;C=CN(CC)C(C=O)=NO;MTFRAXKKOIWUTI-UHFFFAOYSA-N;142.16;0.44;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nd_P1";;;;;;;0.04;;-2.63;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM401208;MM401208;Nc1n[nH]c(O)c1F;HQMSYCDPPFXPQS-UHFFFAOYSA-N;117.08;-0.16;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP1_SNda";;;;;;;0.04;;-6.99;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM401209;MM401209;C=CC(C)(O)CC=CC=O;UDFYIQDLMPSJBP-UHFFFAOYSA-N;140.18;1.07;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda_Na";;;;;;;0.87;;-1.99;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM401210;MM401210;NNc1noc(O)c1O;PXHGLGHTPCDCBB-UHFFFAOYSA-N;131.09;-0.63;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNda_SP1";;;;;;;0.04;;-6.99;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM401211;MM401211;CNN(C=N)C(C#N)=CF;IFBPRMXBFTURHQ-UHFFFAOYSA-N;142.14;0.36;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_Nda";;;;;;;-0.24;;-3.31;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM401212;MM401212;COC(N)=C(CO)C(=O)O;UGLTXRFTMNJAID-UHFFFAOYSA-N;147.13;-1.12;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_P1";;;;;;;-1.06;;-8.04;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM401213;MM401213;C=CC(=CF)N(C=O)NC;BAFODWXNCIBZNL-UHFFFAOYSA-N;144.15;0.58;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_N0";;;;;;;0.06;;-2.21;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM401214;MM401214;Cc1ncc(C)n(C)c1=N;MQWUTMWZCMVFKM-UHFFFAOYSA-N;137.19;0.52;;;;;DOPC;MDCG;27;1;"MARTINI bead: SNa_SP2";;;;;;;-0.24;;-5.93;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM401215;MM401215;C=CC(=NC)N(C=C)NC;XRDKCSOAUVWUAG-UHFFFAOYSA-N;139.2;0.78;;;;;DOPC;MDCG;27;1;"MARTINI bead: P2_N0";;;;;;;0.06;;-4.81;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM401216;MM401216;Cc1cnc(F)c(=N)n1C;QJVNQHSWCZMWDH-UHFFFAOYSA-N;141.15;0.35;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNa_SP2";;;;;;;-0.24;;-3.24;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM401217;MM401217;CN=C(C#N)N(C=N)NC;LAGWSTPOLMYKAX-UHFFFAOYSA-N;139.16;-0.42;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_P2";;;;;;;-1.34;;-4.31;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM401218;MM401218;Cc1ncc(N)n(C)c1=N;AWDCURLTDXBQQU-UHFFFAOYSA-N;138.17;-0.21;;;;;DOPC;MDCG;27;1;"MARTINI bead: SNa_SP3";;;;;;;-1.1;;-7.95;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM401219;MM401219;CNN(C=N)C(C=O)=NO;ONSFLAVIVYFSBP-UHFFFAOYSA-N;144.13;-0.98;;;;;DOPC;MDCG;27;0;"MARTINI bead: P4_P1";;;;;;;-2.01;;-5.13;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM401220;MM401220;Cc1ncc(C)n(C)c1=O;JKBIUQQDESSCPT-UHFFFAOYSA-N;138.17;0.4;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNa_SP2";;;;;;;-0.24;;-3.24;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM401221;MM401221;CN=C(C=O)N(C=O)NC;ANYOFEQHKFVWQA-UHFFFAOYSA-N;143.15;-1.19;;;;;DOPC;MDCG;27;0;"MARTINI bead: P4_Na";;;;;;;-1.19;;-4.76;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM401222;MM401222;CNN(C=O)C(C=O)=NO;OILURLGJYKZRSY-UHFFFAOYSA-N;145.12;-1.43;;;;;DOPC;MDCG;27;0;"MARTINI bead: P4_P1";;;;;;;-2.01;;-5.13;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM401223;MM401223;Cc1ncc(N)n(C)c1=O;MMAGDKWHFFEAJQ-UHFFFAOYSA-N;139.16;-0.33;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNa_SP3";;;;;;;-1.1;;-4.2;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM401224;MM401224;Cn1c(N)cnc(F)c1=O;UGPMJFXAQANWRQ-UHFFFAOYSA-N;143.12;-0.5;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP1_SP2";;;;;;;-1.06;;-3.82;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM401225;MM401225;C=CN(OC)C(C=O)=NC;IMQUIJULYUVZMH-UHFFFAOYSA-N;142.16;0.22;;;;;DOPC;MDCG;27;0;"MARTINI bead: N0_P1";;;;;;;0.34;;-1.53;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM401226;MM401226;O=Cn1nc(O)c(=NO)o1;RYGXSWJTNJDIBD-UHFFFAOYSA-N;145.07;-1.49;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP2_SP3";;;;;;;-2.2;;-9.21;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM401227;MM401227;C=CC(=C)CC(C)C(C)O;LXICNPRSWQRVMN-UHFFFAOYSA-N;140.23;2.14;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda_C3";;;;;;;2.57;;0.44;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM401228;MM401228;Cc1ncc(F)n(C)c1=O;HHRRCKSHMKCPAU-UHFFFAOYSA-N;142.13;0.23;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNa_SP2";;;;;;;-0.24;;-3.24;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM401229;MM401229;C=CC(=NC)N(C=O)OC;MBNMYNPXMQQXCW-UHFFFAOYSA-N;142.16;0.22;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_N0";;;;;;;0.06;;-2.21;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM401230;MM401230;Cn1c(F)cnc(F)c1=O;ZUZXQZHMONTILS-UHFFFAOYSA-N;146.1;0.06;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP2_SNa";;;;;;;-0.24;;-3.24;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM401231;MM401231;C#CC(=CF)C(C=C)CO;YQJYXOQNKZRRKT-UHFFFAOYSA-N;140.16;1.27;;;;;DOPC;MDCG;27;0;"MARTINI bead: P3_C3";;;;;;;0.6;;-0.8;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM401232;MM401232;Cc1ncc(N)n(N)c1=N;WVGUIFNVSLNEJU-UHFFFAOYSA-N;139.16;-1.03;;;;;DOPC;MDCG;27;1;"MARTINI bead: SNa_SP3";;;;;;;-1.1;;-6.13;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM401233;MM401233;C#CC(=CF)C(C=O)CF;JRSLRVYCBHTNAE-UHFFFAOYSA-N;144.12;1.26;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_C5";;;;;;;0.81;;-0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM401234;MM401234;N=c1c(F)ncc(N)n1N;JQHZPOJMSJIXTR-UHFFFAOYSA-N;143.13;-1.2;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP2_SP2";;;;;;;-1.34;;-4.31;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM401235;MM401235;C#CC(=NO)C(C=C)CF;KKATYOYIWJNTLY-UHFFFAOYSA-N;141.15;1.22;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda_Na";;;;;;;0.87;;-1.99;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM401236;MM401236;CC=NN=C(C)NCC#N;KEWASONCRDYDHX-UHFFFAOYSA-N;138.17;0.52;;;;;DOPC;MDCG;27;0;"MARTINI bead: C3_P3";;;;;;;0.6;;-0.8;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM401237;MM401237;C#CC(=CF)C(C#N)OC;RVHIXUVYJNCURW-UHFFFAOYSA-N;139.13;1.01;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_C5";;;;;;;0.81;;-0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM401238;MM401238;Cc1ncc(N)n(O)c1=N;BRYOXGQLCXPXDE-UHFFFAOYSA-N;140.15;-0.51;;;;;DOPC;MDCG;27;1;"MARTINI bead: SNa_SP3";;;;;;;-1.1;;-5.81;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM401239;MM401239;C=C(C=O)CC(C)C(C)O;DNQJHNKFMUHAGN-UHFFFAOYSA-N;142.2;1.15;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda_Na";;;;;;;0.87;;-1.99;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM401240;MM401240;CC#CCCCC(O)CC;ZFBFVJPEEVDXEO-UHFFFAOYSA-N;140.23;1.95;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda_C3";;;;;;;2.57;;0.44;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM401241;MM401241;CC#CC1=CCC(C)(O)C1;JUAMNHBCXLFNOK-UHFFFAOYSA-N;136.19;1.48;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC3_SNda";;;;;;;2.57;;0.44;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM401242;MM401242;CC=C(C)CNN=CC=O;ZSSVJTAQXSZIQR-UHFFFAOYSA-N;140.19;0.73;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1_P1";;;;;;;2.08;;0.48;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM401243;MM401243;C#CC(CN)C(=CF)CC;DJXSSWOQHGGRSB-UHFFFAOYSA-N;141.19;1.46;;;;;DOPC;MDCG;27;1;"MARTINI bead: Na_C5";;;;;;;1.64;;-2.35;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM401244;MM401244;N=c1c(F)ncc(F)n1O;RATONKKEORSZNJ-UHFFFAOYSA-N;147.08;-0.12;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNda_SP2";;;;;;;-0.24;;-3.31;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM401245;MM401245;C#CC(CN)C(=CC)CF;TWAAVQLXBCGGOH-UHFFFAOYSA-N;141.19;1.11;;;;;DOPC;MDCG;27;1;"MARTINI bead: C3_P2";;;;;;;1.46;;-2.43;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM401246;MM401246;CC(C)(C)ONC(=O)C#N;GLXWRCRRWXMWQJ-UHFFFAOYSA-N;142.16;0.36;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_P1";;;;;;;0.81;;-4.75;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM401247;MM401247;C#CC(CO)C(=CC)CF;HZTVNVFJNSCGRR-UHFFFAOYSA-N;142.17;1.14;;;;;DOPC;MDCG;27;0;"MARTINI bead: C3_P3";;;;;;;0.6;;-0.8;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM401248;MM401248;C=C(F)CONC(=O)C#N;XAJTYIQOJZTAOJ-UHFFFAOYSA-N;144.11;0.04;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_P2";;;;;;;0.54;;-5.3;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM401249;MM401249;C#CC(CF)C(=CC)CN;JRZUHDPVMGBTNT-UHFFFAOYSA-N;141.19;1.11;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_Na";;;;;;;0.87;;-4.09;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM401250;MM401250;Cc1ncc(N)c(=N)n1C;QYODISOACCTNOQ-UHFFFAOYSA-N;138.17;-0.21;;;;;DOPC;MDCG;27;1;"MARTINI bead: SNa_SP3";;;;;;;-1.1;;-5.64;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM401251;MM401251;C#CC(CF)C(=CC)CO;NWCHFSVSOPPUDL-UHFFFAOYSA-N;142.17;1.14;;;;;DOPC;MDCG;27;0;"MARTINI bead: P3_C3";;;;;;;0.6;;-0.8;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM401252;MM401252;Cc1cnc(N)n(C)c1=N;WEQZQMNNSZEUHL-UHFFFAOYSA-N;138.17;-0.21;;;;;DOPC;MDCG;27;1;"MARTINI bead: SNda_SP2";;;;;;;-0.24;;-7.78;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM401253;MM401253;CCC(O)CC1CC1(C)C;GPXZDFRELILHOE-UHFFFAOYSA-N;142.24;2.19;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda_SC4";;;;;;;2.2;;0.49;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM401254;MM401254;Cn1c(N)ncc(N)c1=N;CEVXEMDRKFAXRU-UHFFFAOYSA-N;139.16;-0.94;;;;;DOPC;MDCG;27;1;"MARTINI bead: SNda_SP3";;;;;;;-1.1;;-7.97;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM401255;MM401255;CCN(O)C(=O)C(=O)O;RPRYWPKSIXYHFF-UHFFFAOYSA-N;133.1;-0.69;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_P3";;;;;;;-0.33;;-6.12;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM401256;MM401256;Cc1ncc(F)c(=O)n1C;LJTOBXNDNVZNSZ-UHFFFAOYSA-N;142.13;0.23;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNa_SP2";;;;;;;-0.24;;-3.24;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM401257;MM401257;C#CC1CC(O)(C(=C)C)C1;PUTPKAGHARVJJA-UHFFFAOYSA-N;136.19;1.34;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNda_SC5";;;;;;;1.64;;0.05;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM401258;MM401258;Cn1c(N)ncc(F)c1=O;HESHJCIWRCAEFA-UHFFFAOYSA-N;143.12;-0.5;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNda_SP2";;;;;;;-0.24;;-3.31;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM401259;MM401259;C=C(F)C(O)C(=O)C(=O)O;YLVIDJWZAJGKCA-UHFFFAOYSA-N;148.09;-0.52;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda_P2";;;;;;;-0.24;;-7.88;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM401260;MM401260;CONC(=O)C(F)CC#N;CXZJNYQEIQGERF-UHFFFAOYSA-N;146.12;-0.08;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_Na";;;;;;;-0.24;;-7.48;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM401261;MM401261;CNN=C(C=O)C=C(N)N;MUGDVQJWJZEYMY-UHFFFAOYSA-N;142.16;-1.48;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_P2";;;;;;;-1.06;;-3.82;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM401262;MM401262;Cc1ncc(F)c(=N)n1N;FCSBNDCCTBPRKT-UHFFFAOYSA-N;142.14;-0.48;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNa_SP2";;;;;;;-0.24;;-3.24;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM401263;MM401263;C#CC(CC)C(=NO)NO;QVAOFASRRYWQHI-UHFFFAOYSA-N;142.16;0.41;;;;;DOPC;MDCG;27;0;"MARTINI bead: C3_P4";;;;;;;0.52;;-1.59;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM401264;MM401264;Cc1cnc(N)n(N)c1=N;AUKRPDLJONGRJX-UHFFFAOYSA-N;139.16;-1.03;;;;;DOPC;MDCG;27;1;"MARTINI bead: SNa_SP3";;;;;;;-1.1;;-8.2;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM401265;MM401265;CC#CCC1C(C)C1(C)O;PBNDMYYDLOJZDH-UHFFFAOYSA-N;138.21;1.42;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4_SNda";;;;;;;2.2;;0.49;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM401266;MM401266;N=c1c(N)cnc(N)n1N;JKIZRRKGRASBIP-UHFFFAOYSA-N;140.15;-1.76;;;;;DOPC;MDCG;27;1;"MARTINI bead: SP1_SP3";;;;;;;-1.93;;-8.71;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM401267;MM401267;C#CCC(O)C(C)C=CC;YNWUOUXVDGCDRV-UHFFFAOYSA-N;138.21;1.58;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1_Nda";;;;;;;2.91;;0.57;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM401268;MM401268;N=c1c(F)cnc(N)n1N;PAVPDEYDIBIYKK-UHFFFAOYSA-N;143.13;-1.2;;;;;DOPC;MDCG;27;1;"MARTINI bead: SNa_SP3";;;;;;;-1.1;;-6.8;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM401269;MM401269;C#CC(NC)C(=CC)CN;SYGJWEYDHBLFMX-UHFFFAOYSA-N;138.21;0.11;;;;;DOPC;MDCG;27;1;"MARTINI bead: P2_Nd";;;;;;;-0.24;;-5.07;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM401270;MM401270;CONC(=O)C(O)C(C)=O;RCYITNZCFIKTKK-UHFFFAOYSA-N;147.13;-1.39;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_P2";;;;;;;-1.34;;-8.55;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM401271;MM401271;CC#CC(C)C(O)CCC;AGDOJTDXLNPSET-UHFFFAOYSA-N;140.23;1.81;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda_C3";;;;;;;2.57;;0.44;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM401272;MM401272;CN(C=O)N=CNOC=O;CRRDURVWCXTYPC-UHFFFAOYSA-N;145.12;-1.3;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_P2";;;;;;;-1.34;;-4.31;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM401273;MM401273;C#CC(OC)C(=CC)CN;KJHNQLFZNSMUMY-UHFFFAOYSA-N;139.2;0.54;;;;;DOPC;MDCG;27;1;"MARTINI bead: Na_Nd";;;;;;;0.87;;-4.02;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM401274;MM401274;CONC(=O)C(C=O)OC;GQJSSWMXYZLQRK-UHFFFAOYSA-N;147.13;-1.12;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_P1";;;;;;;-1.06;;-8.05;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM401275;MM401275;C#CC(OC)C(CC)=NN;AEKMSVSPYQURKH-UHFFFAOYSA-N;140.19;0.36;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nd_Na";;;;;;;0.87;;-1.88;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM401276;MM401276;COC(CO)(OC)C(=O)O;RZVWKVDERULTOC-UHFFFAOYSA-N;150.13;-0.95;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_P1";;;;;;;-1.06;;-8.05;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM401277;MM401277;C#CC(OC)C(=CC)OC;DUVZBPCTBFSANG-UHFFFAOYSA-N;140.18;1.18;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_C5";;;;;;;1.64;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM401278;MM401278;Cc1nnc(F)c(=O)n1C;GLOYOMDGMAVHAC-UHFFFAOYSA-N;143.12;-0.38;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP1_SP2";;;;;;;-1.06;;-3.82;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM401279;MM401279;C#CC(OC)C(=CF)OC;LVCSVGWCXBDJRP-UHFFFAOYSA-N;144.15;1.09;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_N0";;;;;;;1.17;;-1.18;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM401280;MM401280;Cn1c(N)nnc(F)c1=O;NQUQHDBYAFVRJP-UHFFFAOYSA-N;144.11;-1.1;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP2_SP3";;;;;;;-2.2;;-5.19;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM401281;MM401281;C=CC=CCC(C)C(C)O;BRAJQUUQCGKSAZ-UHFFFAOYSA-N;140.23;2.14;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda_C1";;;;;;;2.91;;0.57;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM401282;MM401282;Cc1nnc(C)n(N)c1=N;XSFCGKFTDMKTGS-UHFFFAOYSA-N;139.16;-0.91;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP2_SP2";;;;;;;-1.34;;-4.31;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM401283;MM401283;C#CC(CC)C(C=C)=CF;GLPNPPXLPREKLD-UHFFFAOYSA-N;138.19;2.69;;;;;DOPC;MDCG;27;0;"MARTINI bead: C3_C4";;;;;;;3.9;;0.47;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM401284;MM401284;Cc1nnc(F)c(=N)n1N;VORSRCKRLIZEOU-UHFFFAOYSA-N;143.13;-1.08;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP1_SP2";;;;;;;-1.06;;-3.82;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM401285;MM401285;C#CC(CN)C(C=C)=CC;SBZWXYNCIVDEHZ-UHFFFAOYSA-N;135.21;1.33;;;;;DOPC;MDCG;27;1;"MARTINI bead: C1_P2";;;;;;;1.8;;-1.29;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM401286;MM401286;Cc1nnc(N)n(N)c1=N;CWGVAWPJSNUTQR-UHFFFAOYSA-N;140.15;-1.64;;;;;DOPC;MDCG;27;1;"MARTINI bead: SP2_SP3";;;;;;;-2.2;;-6.24;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM401287;MM401287;C#CC(CN)C(C=C)=CF;JXCXBQGHBYOQGD-UHFFFAOYSA-N;139.17;1.23;;;;;DOPC;MDCG;27;1;"MARTINI bead: P2_C3";;;;;;;1.46;;-2.42;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM401288;MM401288;C=C(C=NN=CNN)CC;XNCCIRRBNGGWHC-UHFFFAOYSA-N;140.19;0.43;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1_P4";;;;;;;0.85;;-0.64;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM401289;MM401289;C#CC(CO)C(C#N)=CC;AHDNZBCXEOINLR-UHFFFAOYSA-N;135.17;0.7;;;;;DOPC;MDCG;27;0;"MARTINI bead: N0_Nda";;;;;;;1.17;;-1.13;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM401290;MM401290;C=c1c(C)ccc(C)c1=C;MOXMBEOCKBDGLW-UHFFFAOYSA-N;132.21;1.12;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC4_SC1";;;;;;;4.24;;0.42;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM401291;MM401291;C#CC(CC)C(C=C)=NO;JOVKGVAMSLIHGK-UHFFFAOYSA-N;137.18;1.66;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_Nda";;;;;;;1.64;;0.05;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM401292;MM401292;C=c1c(C)ccc(F)c1=C;FIBGVZPPVANQLI-UHFFFAOYSA-N;136.17;0.95;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC4_SC4";;;;;;;3.53;;0.53;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM401293;MM401293;C#CC(CN)C(C=C)=NO;AGUGKGIPHDVQEI-UHFFFAOYSA-N;138.17;0.21;;;;;DOPC;MDCG;27;1;"MARTINI bead: P2_Nda";;;;;;;-0.24;;-5.84;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM401294;MM401294;C=c1c(F)ccc(F)c1=C;FSFTZBOZCCBGCH-UHFFFAOYSA-N;140.13;0.79;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC5_SC4";;;;;;;2.97;;0.45;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM401295;MM401295;C#CC(OC)C(C=O)=CN;XDDGZAIIDLRABO-UHFFFAOYSA-N;139.15;-0.32;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_P2";;;;;;;-0.24;;-3.24;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM401296;MM401296;C=c1c(C)nnc(C)c1=C;FIVTZXALTKASLC-UHFFFAOYSA-N;134.18;-0.09;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNa_SP1";;;;;;;0.04;;-2.54;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM401297;MM401297;C#CC(=CC)C(C#C)CN;VENWFPQNZNOTSG-UHFFFAOYSA-N;133.19;0.77;;;;;DOPC;MDCG;27;1;"MARTINI bead: C2_P2";;;;;;;1.72;;-1.68;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM401298;MM401298;CC1=C(C)N(C)C(=N)CC1;NTVMVCMLWIBCDQ-UHFFFAOYSA-N;138.21;1.98;;;;;DOPC;MDCG;27;1;"MARTINI bead: SNd_SC5";;;;;;;1.64;;-4.17;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM401299;MM401299;C#CC(=CF)C(C#C)CN;ZOVSTPLPIUDLNE-UHFFFAOYSA-N;137.16;0.68;;;;;DOPC;MDCG;27;1;"MARTINI bead: P2_C5";;;;;;;0.54;;-3.46;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM401300;MM401300;CC1=C(F)CCC(=N)N1C;JRBKOQPNYFOKBJ-UHFFFAOYSA-N;142.18;1.89;;;;;DOPC;MDCG;27;1;"MARTINI bead: SNd_SNa";;;;;;;0.87;;-4.36;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM401301;MM401301;CC(O)C(C)CC=CC#N;VLCBBZCZLXBCAZ-UHFFFAOYSA-N;139.2;1.47;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda_N0";;;;;;;1.17;;-1.13;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM401302;MM401302;CC1=C(C)N(C)C(=O)CC1;YXGRNYCODQJVJZ-UHFFFAOYSA-N;139.2;1.53;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP1_SC5";;;;;;;0.81;;-0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM401303;MM401303;C=CC(C=C)C(=CF)CF;ZRUNTAPELMDEDC-UHFFFAOYSA-N;144.16;2.8;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_C2";;;;;;;3.6;;0.34;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM401304;MM401304;C=C1C(C)=C(C)CCC1C;WNEFCSJJIDNUGB-UHFFFAOYSA-N;136.24;3.31;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC1_SC2";;;;;;;4.87;;0.53;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM401305;MM401305;C=CC(C=O)C(=CF)CC;OTWMEFNHDXZUBF-UHFFFAOYSA-N;142.17;2.25;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_C4";;;;;;;2.2;;0.34;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM401306;MM401306;C=C1C(C)=C(F)CCC1N;GNYSCCYMMPEMES-UHFFFAOYSA-N;141.19;1.91;;;;;DOPC;MDCG;27;1;"MARTINI bead: SC4_SNd";;;;;;;2.2;;-1.87;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM401307;MM401307;C=CC(C=O)C(=CC)CF;FAPJPUYAYCDSQS-UHFFFAOYSA-N;142.17;1.9;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4_Na";;;;;;;2.2;;0.34;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM401308;MM401308;C#CC(=O)C=CNN=CC;NDBCRIDWJOGSKL-UHFFFAOYSA-N;136.15;0.3;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nd_Na";;;;;;;0.87;;-1.88;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM401309;MM401309;C=CC(C=O)C(=CF)CF;QUCAZYDTGNHPSJ-UHFFFAOYSA-N;146.14;1.81;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_Na";;;;;;;1.64;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM401310;MM401310;C=C1C(C)=C(C)OCC1N;IDKJHEPQHXOUBF-UHFFFAOYSA-N;139.2;1.19;;;;;DOPC;MDCG;27;1;"MARTINI bead: SC4_SP1";;;;;;;1.37;;-1.66;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM401311;MM401311;C=CC(C=C)C(CC)=NN;FZXCMLSIYGULJC-UHFFFAOYSA-N;138.21;1.7;;;;;DOPC;MDCG;27;0;"MARTINI bead: P3_C1";;;;;;;0.94;;0.03;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM401312;MM401312;C=C1CCC(C)=C(C)C1=C;IBNGDEUEGGPETJ-UHFFFAOYSA-N;134.22;3.23;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC1_SC3";;;;;;;4.61;;0.31;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM401313;MM401313;Cc1nn(C=O)nc1O;OGMMLZVHQLKVCU-UHFFFAOYSA-N;127.1;-0.67;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP2_SNda";;;;;;;-0.24;;-7.88;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM401314;MM401314;C=C1CCC(F)=C(C)C1=C;CAWODMVDTWZPAI-UHFFFAOYSA-N;138.19;3.14;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC4_SC3";;;;;;;3.9;;0.47;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM401315;MM401315;O=Cc1nnn[nH]1;UTRBWZIEAHEEEB-UHFFFAOYSA-N;98.07;-0.99;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP1_SP1";;;;;;;-0.79;;-7.85;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM401316;MM401316;C=C1C(=O)CCC(C)=C1C;MIYDXBZDODAAHX-UHFFFAOYSA-N;136.19;2.24;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC1_SNa";;;;;;;2.91;;0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM401317;MM401317;CCCC1=CC(C)C(O)C1;IJCNDGVIRFIGOZ-UHFFFAOYSA-N;140.23;2.11;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC1_SNda";;;;;;;2.91;;0.57;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM401318;MM401318;C=C1C(=O)CCC(F)=C1C;ZOMNTQVLIXHIKK-UHFFFAOYSA-N;140.16;2.15;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC4_SNa";;;;;;;2.2;;0.34;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM401319;MM401319;CC=C(OC)C(C#N)C#N;WEYGSXSWZWIAHH-UHFFFAOYSA-N;136.15;1.2;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_P2";;;;;;;0.54;;-1.09;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM401320;MM401320;C=C1CCC(C)=C(C)C1=O;MZZQMSGVTAXEBT-UHFFFAOYSA-N;136.19;2.24;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC1_SNa";;;;;;;2.91;;0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM401321;MM401321;CC=Nn1oc(N)nc1=O;RWPJUDAPCSYVHS-UHFFFAOYSA-N;142.12;-0.73;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP1_SP1";;;;;;;-0.79;;-3.13;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM401322;MM401322;C=C1CCC(N)=C(C)C1=O;KNOWYYUKVMLUNW-UHFFFAOYSA-N;137.18;1.14;;;;;DOPC;MDCG;27;0;"MARTINI bead: SN0_SNa";;;;;;;1.17;;-1.18;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM401323;MM401323;C=CN(C=N)C(=CC)CO;FIAVPRVSTKTGPP-UHFFFAOYSA-N;140.19;0.94;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1_N0";;;;;;;0.34;;-4.37;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM401324;MM401324;C=C1CCC(F)=C(C)C1=O;IIWLWGUQIZHVDT-UHFFFAOYSA-N;140.16;2.15;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC4_SNa";;;;;;;2.2;;0.34;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM401325;MM401325;CC=C(CC)N(C=N)C=N;RGFSLBKOKSYMIW-UHFFFAOYSA-N;139.2;1.82;;;;;DOPC;MDCG;27;1;"MARTINI bead: C1_P4";;;;;;;0.85;;-1.98;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM401326;MM401326;Nc1ccc(O)c(O)c1F;ZKPGNHRGHDAWKE-UHFFFAOYSA-N;143.12;0.82;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNda_SNda";;;;;;;0.87;;-2.07;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM401327;MM401327;C=CC(=C)CCC(O)CC;PQKCGPPHHAGYSY-UHFFFAOYSA-N;140.23;2.28;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda_C3";;;;;;;2.57;;0.44;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM401328;MM401328;C=C1COC(C)=C(C)C1=C;INPLMXZENOAXKB-UHFFFAOYSA-N;136.19;2.42;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC4_SC5";;;;;;;2.97;;0.45;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM401329;MM401329;C=C(C=O)CCC(O)CC;KAOMTQYIOZYSKZ-UHFFFAOYSA-N;142.2;1.29;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda_Na";;;;;;;0.87;;-1.99;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM401330;MM401330;C=C1C(=O)COC(C)=C1C;LDLSALLARNDAAW-UHFFFAOYSA-N;138.17;1.44;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC4_SNa";;;;;;;2.2;;0.34;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM401331;MM401331;CC=C(CF)N(C=N)C=O;OYRGETHFPKBPMS-UHFFFAOYSA-N;144.15;0.93;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4_P4";;;;;;;0.15;;-2.18;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM401332;MM401332;Nc1n[nH]c(=O)c(N)c1O;MAUSMBRVFYRRQG-UHFFFAOYSA-N;142.12;-1.36;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP3_SP2";;;;;;;-2.2;;-5.19;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM401333;MM401333;C=CN(C=C)C(CN)=NC;NGCXQROMZAENAN-UHFFFAOYSA-N;139.2;0.56;;;;;DOPC;MDCG;27;1;"MARTINI bead: P2_N0";;;;;;;0.06;;-4.54;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM401334;MM401334;N=C(NC=O)C(=O)O;IXRWWVYQILGWKX-UHFFFAOYSA-N;116.08;-1.21;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_P4";;;;;;;-2.01;;-8.88;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM401335;MM401335;C=CN(C=C)C(CO)=NC;GILIEVCZJLGMOA-UHFFFAOYSA-N;140.19;0.6;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1_N0";;;;;;;0.34;;-3.87;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM401336;MM401336;CC(O)(C#CCO)C(=O)O;FPVAEBUDVXHUKN-UHFFFAOYSA-N;144.13;-1.18;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_P1";;;;;;;-0.79;;-7.42;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM401337;MM401337;C=CN(C=O)C(CF)=NN;OVXNZNYPLUMFHE-UHFFFAOYSA-N;145.14;-0.17;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_P2";;;;;;;-0.24;;-3.24;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM401338;MM401338;C#CCNC=C(F)C(=O)O;FZTBNAQYMZYDCI-UHFFFAOYSA-N;143.12;0.1;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_N0";;;;;;;0.34;;-5.81;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM401339;MM401339;CCC=CCCC(O)CC;BZZWJHLTQAJBKB-UHFFFAOYSA-N;142.24;2.5;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1_Nda";;;;;;;2.91;;0.57;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM401340;MM401340;Nc1[nH]oc(=O)c(=O)c1F;SCSHHSSBZHOGNP-UHFFFAOYSA-N;146.08;-0.95;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP2_SP1";;;;;;;-1.06;;-3.82;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM401341;MM401341;CCC(O)CCC=CC#N;INYHPPGZZBGETN-UHFFFAOYSA-N;139.2;1.62;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda_N0";;;;;;;1.17;;-1.13;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM401342;MM401342;Cc1c(F)ccc(=N)n1C;MQRWCKFQCUBAGB-UHFFFAOYSA-N;140.16;0.95;;;;;DOPC;MDCG;27;1;"MARTINI bead: SNa_SNd";;;;;;;0.87;;-5.65;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM401343;MM401343;C#CC=CCCC(O)CC;CYGVOHOOONUOEQ-UHFFFAOYSA-N;138.21;1.73;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda_C4";;;;;;;2.2;;0.49;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM401344;MM401344;Cc1c(F)ccc(=O)n1C;JBIWEUNWQCVVIT-UHFFFAOYSA-N;141.15;0.83;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNa_SNa";;;;;;;0.87;;-2.22;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM401345;MM401345;N=CN(C=O)C(CO)=NN;FFYCPYXAFVLIII-UHFFFAOYSA-N;144.13;-1.68;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_P4";;;;;;;-2.29;;-5.95;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM401346;MM401346;Cc1ccc(=N)n(C)c1N;IBBRXKKTNLAZPS-UHFFFAOYSA-N;137.19;0.4;;;;;DOPC;MDCG;27;1;"MARTINI bead: SN0_SP1";;;;;;;0.34;;-7.18;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM401347;MM401347;C#CC(N)C(=NNC)OC;SYCNGUVOCFTZIK-UHFFFAOYSA-N;141.17;-0.87;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_P2";;;;;;;-1.06;;-3.82;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM401348;MM401348;Cn1c(N)c(O)ccc1=N;SQXPZHSKAKWSKJ-UHFFFAOYSA-N;139.16;-0.21;;;;;DOPC;MDCG;27;1;"MARTINI bead: SP1_SNd";;;;;;;0.04;;-8.18;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM401349;MM401349;CCC(=NN)N(C=O)C=O;ATUONZJCCBRVFG-UHFFFAOYSA-N;143.15;-0.72;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_P4";;;;;;;-0.41;;-2.78;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM401350;MM401350;Cn1c(N)c(F)ccc1=N;PGRGNJVGYHOVGJ-UHFFFAOYSA-N;141.15;0.23;;;;;DOPC;MDCG;27;1;"MARTINI bead: SNda_SNd";;;;;;;0.87;;-7.05;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM401351;MM401351;NN=C(CO)N(C=O)C=O;FZWZGMLNORHWCE-UHFFFAOYSA-N;145.12;-2.13;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_P4";;;;;;;-2.29;;-5.95;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM401352;MM401352;Cn1c(N)c(F)ccc1=O;WDIUKEJAJMSKOY-UHFFFAOYSA-N;142.13;0.11;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNda_SNa";;;;;;;0.87;;-1.99;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM401353;MM401353;NN=C(CF)N(C=O)C=O;MVZUZZNURVAVHV-UHFFFAOYSA-N;147.11;-1.16;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_P4";;;;;;;-1.19;;-4.76;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM401354;MM401354;Cn1c(O)c(N)ccc1=N;YXXNEMCNSAWFJP-UHFFFAOYSA-N;139.16;-0.21;;;;;DOPC;MDCG;27;1;"MARTINI bead: SP1_SNd";;;;;;;0.04;;-6.72;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM401355;MM401355;O=CN(C=O)C(CF)=NO;LWOWIFFSZJFHGR-UHFFFAOYSA-N;148.09;-0.64;;;;;DOPC;MDCG;27;-1;"MARTINI bead: Na_P3";;;;;;;-1.1;;-5.31;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM401356;MM401356;N=c1nn[nH]cc(N)c1=O;VQTYIGNXTHPYBE-UHFFFAOYSA-N;139.12;-1.77;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP2_SP3";;;;;;;-2.2;;-9.21;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM401357;MM401357;C=CN(C=N)C(=NC)NN;LXWSDSFKNYOZNC-UHFFFAOYSA-N;141.18;-0.51;;;;;DOPC;MDCG;27;1;"MARTINI bead: P2_P2";;;;;;;-1.34;;-7.43;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM401358;MM401358;Cn1c(F)c(N)ccc1=N;DNLLAIDDBWONSH-UHFFFAOYSA-N;141.15;0.23;;;;;DOPC;MDCG;27;1;"MARTINI bead: SNda_SNd";;;;;;;0.87;;-4.34;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM401359;MM401359;C=CN(C=N)C(=NC)NO;UILCYMSDHQQCPW-UHFFFAOYSA-N;142.16;;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1_P2";;;;;;;-1.06;;-5.6;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM401360;MM401360;Cn1c(F)c(O)ccc1=N;AWDKQVIIDREWLE-UHFFFAOYSA-N;142.13;0.35;;;;;DOPC;MDCG;27;1;"MARTINI bead: SNda_SNd";;;;;;;0.87;;-3.12;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM401361;MM401361;C=CN(C=O)C(=NC)NC;CVYPKXKGEHOQAZ-UHFFFAOYSA-N;141.17;-0.21;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_P2";;;;;;;-0.24;;-5.01;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM401362;MM401362;Cc1ccc(=O)n(C)c1F;UDNIBTBPVGKUGN-UHFFFAOYSA-N;141.15;0.83;;;;;DOPC;MDCG;27;0;"MARTINI bead: SN0_SNa";;;;;;;1.17;;-1.18;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM401363;MM401363;CNC(=NN)N(C=N)C=N;IYBUHDOQPWYVHH-UHFFFAOYSA-N;142.17;-1.05;;;;;DOPC;MDCG;27;1;"MARTINI bead: P2_P2";;;;;;;-1.34;;-5.49;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM401364;MM401364;Cn1c(F)c(O)ccc1=O;VLIZVIIQKFRCQS-UHFFFAOYSA-N;143.12;0.23;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNa_SNda";;;;;;;0.87;;-1.99;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM401365;MM401365;CN=C(NN)N(C=N)C=N;IYBUHDOQPWYVHH-UHFFFAOYSA-N;142.17;-1.05;;;;;DOPC;MDCG;27;1;"MARTINI bead: P2_P2";;;;;;;-1.34;;-6.22;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM401366;MM401366;Cn1c(F)c(F)ccc1=O;UMWKXDFQGNITFC-UHFFFAOYSA-N;145.11;0.66;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNa_SNa";;;;;;;0.87;;-2.22;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM401367;MM401367;C=COCC(=NNC)OC;WGEFOWILMXFSSP-UHFFFAOYSA-N;144.17;0.33;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_Na";;;;;;;0.04;;-2.54;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM401368;MM401368;Cc1ccc(=N)n(N)c1C;FPCYERLMZDNNSP-UHFFFAOYSA-N;137.19;0.3;;;;;DOPC;MDCG;27;1;"MARTINI bead: SN0_SNd";;;;;;;1.17;;-4.67;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM401369;MM401369;CCC(O)CC1C(C)C1C;DOUZARUJAKUAFP-UHFFFAOYSA-N;142.24;2.05;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda_SN0";;;;;;;1.17;;-1.13;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM401370;MM401370;Cc1c(O)ccc(=N)n1N;TUBMSCJDEOIVDG-UHFFFAOYSA-N;139.16;-0.3;;;;;DOPC;MDCG;27;1;"MARTINI bead: SNda_SP1";;;;;;;0.04;;-4.78;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM401371;MM401371;CC(O)C(C)C1C(C)C1C;PQOQFHZJNKTWPL-UHFFFAOYSA-N;142.24;1.91;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_SC4";;;;;;;1.37;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM401372;MM401372;Cc1c(F)ccc(=N)n1N;ARGUAAWWBCLUOH-UHFFFAOYSA-N;141.15;0.13;;;;;DOPC;MDCG;27;1;"MARTINI bead: SNa_SP1";;;;;;;0.04;;-3.94;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM401373;MM401373;N#Cc1nc(=O)onc1N;KOZHWFSZJGZCBL-UHFFFAOYSA-N;138.09;-1.12;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP2_SP3";;;;;;;-2.2;;-5.19;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM401374;MM401374;Cc1ccc(=N)n(N)c1N;HYXGRBMYHSTVIJ-UHFFFAOYSA-N;138.17;-0.43;;;;;DOPC;MDCG;27;1;"MARTINI bead: SN0_SP2";;;;;;;0.06;;-6.87;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM401375;MM401375;CNC(=NO)N(C=O)C=O;IKYWFNCMVICQCA-UHFFFAOYSA-N;145.12;-1.43;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_P3";;;;;;;-2.2;;-5.19;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM401376;MM401376;N=c1ccc(N)c(N)n1N;SCRHMASHILFZRZ-UHFFFAOYSA-N;139.16;-1.15;;;;;DOPC;MDCG;27;1;"MARTINI bead: SNd_SP2";;;;;;;-0.24;;-7.6;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM401377;MM401377;C#CC(C=O)=CNN=CC;SZXIFAWAJINHDU-UHFFFAOYSA-N;136.15;0.3;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nd_Na";;;;;;;0.87;;-1.88;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM401378;MM401378;N=c1ccc(N)c(O)n1N;KVQHBBLHPUXDSZ-UHFFFAOYSA-N;140.15;-1.03;;;;;DOPC;MDCG;27;1;"MARTINI bead: SP1_SP1";;;;;;;-0.79;;-4.94;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM401379;MM401379;C#CC(C=O)C(C)=NN=C;CPNNFOIEAVRXHG-UHFFFAOYSA-N;136.15;0.51;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_Na";;;;;;;1.64;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM401380;MM401380;Cc1nc(=NN)onc1O;DTXWBOHGIFCABS-UHFFFAOYSA-N;142.12;-1.14;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP2_SP3";;;;;;;-2.2;;-9.21;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM401381;MM401381;C=NNC1=NCC(=NN)C1;CEQICWBKXPIDMS-UHFFFAOYSA-N;139.16;-0.69;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP1_SNd";;;;;;;0.04;;-2.63;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM401382;MM401382;N=c1ccc(F)c(N)n1O;YCHHZORYDUGMGZ-UHFFFAOYSA-N;143.12;-0.07;;;;;DOPC;MDCG;27;1;"MARTINI bead: SNa_SP2";;;;;;;-0.24;;-6.03;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM401383;MM401383;C=CC12CC1N=C(NN)O2;SYWQTQFWBJQHCX-UHFFFAOYSA-N;139.16;-0.47;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP2_SN0";;;;;;;0.06;;-2.21;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM401384;MM401384;CC=C(C)C=NN=CNN;HRJXWIIQODMHMC-UHFFFAOYSA-N;140.19;0.43;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1_P4";;;;;;;0.85;;-0.64;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM401385;MM401385;C=Cn1nnc(NC)c1C;WPGYJSCMGSTWIN-UHFFFAOYSA-N;138.17;0.73;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP1_SP1";;;;;;;-0.79;;-3.13;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM401386;MM401386;Cc1ncc(=N)n(C)c1N;FKRBNBPMCLKAGJ-UHFFFAOYSA-N;138.17;-0.21;;;;;DOPC;MDCG;27;1;"MARTINI bead: SNa_SP3";;;;;;;-1.1;;-7.87;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM401387;MM401387;O=CN(C=O)C(=NO)NO;IXKHHNZNIUXCGP-UHFFFAOYSA-N;147.09;-1.67;;;;;DOPC;MDCG;27;0;"MARTINI bead: P4_P2";;;;;;;-2.29;;-5.95;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM401388;MM401388;Cn1c(N)c(O)ncc1=N;OUWFXFFGFUDGQE-UHFFFAOYSA-N;140.15;-0.81;;;;;DOPC;MDCG;27;1;"MARTINI bead: SP1_SP2";;;;;;;-1.06;;-6.13;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM401389;MM401389;C=CN(C=O)C(=CC)OC;ASKJJOSPUFPALG-UHFFFAOYSA-N;141.17;1.1;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda_N0";;;;;;;1.17;;-1.13;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM401390;MM401390;Cn1c(N)c(F)ncc1=N;UKWCAMHTLRTAMA-UHFFFAOYSA-N;142.14;-0.38;;;;;DOPC;MDCG;27;1;"MARTINI bead: SNda_SP2";;;;;;;-0.24;;-5.29;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM401391;MM401391;COC(=CF)N(C=N)C=O;GOOTXRXBOXGJDQ-UHFFFAOYSA-N;146.12;0.47;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda_P2";;;;;;;-0.24;;-3.31;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM401392;MM401392;Cn1c(N)c(F)ncc1=O;IKGAYHQGZWCSJW-UHFFFAOYSA-N;143.12;-0.5;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNda_SP2";;;;;;;-0.24;;-3.31;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM401393;MM401393;CCc1n[nH]c(CC)c1N;IMBJNOJXJVXFSE-UHFFFAOYSA-N;139.2;1.12;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNda_SNd";;;;;;;0.87;;-1.92;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM401394;MM401394;Cn1[nH]oc(=O)c1=O;UQQIXZRWLXYFBJ-UHFFFAOYSA-N;116.08;-1.33;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP2_SP2";;;;;;;-1.34;;-8.55;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM401395;MM401395;CN=C(OC)N(C=N)C=O;XQNXTVZMNIIUOH-UHFFFAOYSA-N;143.15;-0.32;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_P4";;;;;;;-1.19;;-4.76;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM401396;MM401396;CN=c1nnc(C)c(O)o1;ORLDHWUWHHOYEP-UHFFFAOYSA-N;141.13;-0.39;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP2_SP3";;;;;;;-2.2;;-9.21;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM401397;MM401397;CCCC1=CCC(O)C1C;VWXIKXCNTRXIAA-UHFFFAOYSA-N;140.23;2.11;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC1_SNda";;;;;;;2.91;;0.57;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM401398;MM401398;O=CONC=NCC(=O)O;NTALPDWPGXFMER-UHFFFAOYSA-N;146.1;-1.22;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_P2";;;;;;;-1.06;;-8.05;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM401399;MM401399;Nc1nn2c(nc1=O)CC2;OILYWSDZZUWCAJ-UHFFFAOYSA-N;138.13;-1.22;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP2_SP3";;;;;;;-2.2;;-5.19;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM401400;MM401400;Cn1c(F)c(F)ncc1=N;QJVJZXXRVIDJBD-UHFFFAOYSA-N;145.11;0.18;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNa_SP2";;;;;;;-0.24;;-3.24;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM401401;MM401401;C#CC(=O)C1NC1C#CC;IDDCLSXFRUWDEL-UHFFFAOYSA-N;133.15;-0.45;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP1_P1";;;;;;;-0.79;;-3.13;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM401402;MM401402;CNN=CON=CC=NN;NTBIXOZGWKHJPO-UHFFFAOYSA-N;143.15;-0.9;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_Nd";;;;;;;-0.24;;-3.16;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM401403;MM401403;CC(=O)C(=O)CC(=O)C=O;GPIFCHFPYCMSRY-UHFFFAOYSA-N;142.11;-0.7;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_Na";;;;;;;0.87;;-6.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM401404;MM401404;Cn1c(F)c(F)ncc1=O;TWQBIYLDAGRCJB-UHFFFAOYSA-N;146.1;0.06;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP2_SNa";;;;;;;-0.24;;-3.24;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM401405;MM401405;CCC=NN=CNN1CC1;CIYMPCUCRUQDOL-UHFFFAOYSA-N;140.19;0.23;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4_SP3";;;;;;;0.23;;-1.03;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM401406;MM401406;Cc1c(F)ncc(=N)n1N;NROJCRAFWFETMI-UHFFFAOYSA-N;142.14;-0.48;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNa_SP3";;;;;;;-1.1;;-4.2;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM401407;MM401407;OC12CCC(C1)C2;VSFNIRMYWJSEFH-UHFFFAOYSA-N;98.15;0.92;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNda_SC4";;;;;;;2.2;;0.49;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM401408;MM401408;N=c1cnc(N)c(N)n1N;JXHICJWRBDLQCO-UHFFFAOYSA-N;140.15;-1.76;;;;;DOPC;MDCG;27;1;"MARTINI bead: SP1_SP3";;;;;;;-1.93;;-6.1;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM401409;MM401409;N=c1cnoc(N)n1;IJDWIPSXPBLGJS-UHFFFAOYSA-N;112.09;-0.87;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP3_SP3";;;;;;;-3.07;;-6.15;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM401410;MM401410;CC=C(F)C=NN=CNN;WVQYWXKYEPIRRF-UHFFFAOYSA-N;144.15;0.34;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4_P2";;;;;;;1.09;;-0.37;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM401411;MM401411;CCc1nc(N)co1;ZXRIXBNDPQFKJR-UHFFFAOYSA-N;112.13;0.82;;;;;DOPC;MDCG;27;0;"MARTINI bead: SN0_SP1";;;;;;;0.34;;-1.53;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM401412;MM401412;CC#CC(=NN)NC=CF;HGQFVQZVCFWVDA-UHFFFAOYSA-N;141.15;0.31;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_C5";;;;;;;0.81;;-0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM401413;MM401413;C=NN=CNN1CC1;HQRBQZZGXCPBCX-UHFFFAOYSA-N;112.14;-0.55;;;;;DOPC;MDCG;27;0;"MARTINI bead: N0_SP3";;;;;;;-0.8;;-2.99;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM401414;MM401414;N=c1cnc(F)c(F)n1N;JRVUSKVKFIBMRX-UHFFFAOYSA-N;146.1;-0.65;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP2_SNa";;;;;;;-0.24;;-3.24;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM401415;MM401415;C=NNC(C)(C)C(C)=O;AGTNHTUDKUKSOU-UHFFFAOYSA-N;128.18;0.56;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_Nd";;;;;;;0.87;;-1.88;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM401416;MM401416;COC(N=CNN)=NC=O;SJFKXIMQSXQULP-UHFFFAOYSA-N;144.13;-1.36;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_P3";;;;;;;-1.1;;-4.2;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM401417;MM401417;C=C(C)C(O)CC(C)C;HKYNMDHHMMRJGQ-UHFFFAOYSA-N;128.22;1.97;;;;;DOPC;MDCG;27;0;"MARTINI bead: C3_Nda";;;;;;;2.57;;0.44;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM401418;MM401418;N=c1cnc(N)c(N)n1O;DXHZTDNZVHFMIJ-UHFFFAOYSA-N;141.13;-1.24;;;;;DOPC;MDCG;27;1;"MARTINI bead: SP1_SP3";;;;;;;-1.93;;-5.77;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM401419;MM401419;C=NN(C=N)C(=CC)OC;UUCINODLLRSGKY-UHFFFAOYSA-N;141.17;1.02;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_P2";;;;;;;0.54;;-1.09;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM401420;MM401420;C=NNC(C#N)=NC=CF;RTKRGMAULSACCO-UHFFFAOYSA-N;140.12;0.55;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_P1";;;;;;;0.81;;-0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM401421;MM401421;C=NN(C=O)C(=CC)OC;HHJWQXSUAVBHQT-UHFFFAOYSA-N;142.16;0.57;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_P2";;;;;;;0.54;;-1.09;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM401422;MM401422;CC12CC3(CO)CC1C2C3;RMYGPFCFKKOHJE-UHFFFAOYSA-N;138.21;1.41;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC4_SC5";;;;;;;2.97;;0.45;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM401423;MM401423;CC(C)=CC(O)C(C)C;SUGIOGWYXCYSMP-UHFFFAOYSA-N;128.22;1.97;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda_C4";;;;;;;2.2;;0.49;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM401424;MM401424;N#CCCNC(C=O)CF;CNEIHXHAPAFDDN-UHFFFAOYSA-N;144.15;0.03;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_P2";;;;;;;-0.24;;-3.24;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM401425;MM401425;C=NN(C=N)C(=NO)OC;ZTVGJKPRZCLPMP-UHFFFAOYSA-N;144.13;-0.1;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_P2";;;;;;;-1.06;;-3.82;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM401426;MM401426;Cc1cnc(=N)n(C)c1N;GUHDYCAIBUTNQB-UHFFFAOYSA-N;138.17;-0.21;;;;;DOPC;MDCG;27;1;"MARTINI bead: SP1_SP2";;;;;;;-1.06;;-8.88;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM401427;MM401427;C=NN(C=O)C(=NC)OC;UBEQXTUAZIZDNF-UHFFFAOYSA-N;143.15;-0.31;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_P2";;;;;;;-0.24;;-3.24;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM401428;MM401428;Cn1c(N)c(N)cnc1=N;KYFXXJKSYOGSPC-UHFFFAOYSA-N;139.16;-0.94;;;;;DOPC;MDCG;27;1;"MARTINI bead: SP2_SP1";;;;;;;-1.06;;-8.87;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM401429;MM401429;CC(=O)ON=C(N)C=O;UPAKSTBYPSQCTC-UHFFFAOYSA-N;130.1;-0.98;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_P3";;;;;;;-1.1;;-4.2;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM401430;MM401430;Cn1c(N)c(O)cnc1=N;FCHYLQRVFSIWAI-UHFFFAOYSA-N;140.15;-0.81;;;;;DOPC;MDCG;27;1;"MARTINI bead: SP1_SNda";;;;;;;0.04;;-8.11;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM401431;MM401431;C=CC(C=C)C(C=O)=CF;KCQDTZYFZVRWSO-UHFFFAOYSA-N;140.16;2.03;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_C2";;;;;;;2.83;;0.35;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM401432;MM401432;Cn1c(N)c(F)cnc1=N;RFELQFIJALDDMZ-UHFFFAOYSA-N;142.14;-0.38;;;;;DOPC;MDCG;27;1;"MARTINI bead: SP1_SNda";;;;;;;0.04;;-6.96;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM401433;MM401433;C=CC(C=O)C(C=O)=CN;XYBOXIIBXQMDIP-UHFFFAOYSA-N;139.15;0.03;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_Na";;;;;;;-0.24;;-3.24;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM401434;MM401434;Cn1c(N)c(F)cnc1=O;MTOLUWFRBZWWOR-UHFFFAOYSA-N;143.12;-0.5;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP1_SP1";;;;;;;-0.79;;-3.13;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM401435;MM401435;C=CC(C#N)C(C=O)=CN;UJBWWPDSIQSWDN-UHFFFAOYSA-N;136.15;0.35;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_N0";;;;;;;0.06;;-2.21;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM401436;MM401436;C=Cn1nc(O)n(O)c1=O;ALBSIJMKBKETIP-UHFFFAOYSA-N;143.1;-0.91;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP2_SP2";;;;;;;-1.34;;-8.56;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM401437;MM401437;C=CC(C#N)C(C#N)=CN;GNXJSKXHNFFEAL-UHFFFAOYSA-N;133.15;0.68;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_N0";;;;;;;0.34;;-1.53;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM401438;MM401438;Cc1cnc(=N)n(C)c1F;YYNYECBOXKOFGU-UHFFFAOYSA-N;141.15;0.35;;;;;DOPC;MDCG;27;1;"MARTINI bead: SNa_SNda";;;;;;;0.87;;-4.76;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM401439;MM401439;C=CC(C=O)C(C#N)=CF;PXSHGKFLZIFRDP-UHFFFAOYSA-N;139.13;1.36;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_Na";;;;;;;0.87;;-2.22;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM401440;MM401440;Cn1c(F)c(N)cnc1=N;MUNHYAMQAAWSAE-UHFFFAOYSA-N;142.14;-0.38;;;;;DOPC;MDCG;27;1;"MARTINI bead: SNda_SNda";;;;;;;0.87;;-4.37;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM401441;MM401441;C=CC(=CC)C(C=O)C=O;DLIUQYZXFYJCRP-UHFFFAOYSA-N;138.17;1.13;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4_P2";;;;;;;1.09;;-0.38;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM401442;MM401442;Cc1cnc(=O)n(C)c1F;BFKKMUCRMJZZBW-UHFFFAOYSA-N;142.13;0.23;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP1_SP1";;;;;;;-0.79;;-3.13;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM401443;MM401443;N=c1nc(CO)c(O)no1;UQXGECHXFYZXSJ-UHFFFAOYSA-N;143.1;-1.25;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP3_SP3";;;;;;;-3.07;;-10.16;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM401444;MM401444;Cn1c(F)c(N)cnc1=O;ZTQSZUFUVVTAJF-UHFFFAOYSA-N;143.12;-0.5;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP1_SP1";;;;;;;-0.79;;-3.13;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM401445;MM401445;CNN=CC#CC(=O)O;BGRXODCLSUKCGN-UHFFFAOYSA-N;126.12;-0.72;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_P1";;;;;;;-0.79;;-7.85;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM401446;MM401446;Cc1cnc(=N)n(N)c1C;YBKGOKONUAHYQH-UHFFFAOYSA-N;138.17;-0.31;;;;;DOPC;MDCG;27;1;"MARTINI bead: SP1_SP1";;;;;;;-0.79;;-7.13;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM401447;MM401447;C#CC1(C)CC(C)C1O;GDVHIUGDZQVXPM-UHFFFAOYSA-N;124.18;1.03;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNda_SC4";;;;;;;2.2;;0.49;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM401448;MM401448;Cc1c(N)cnc(=N)n1N;GOBKKTPMDLSALA-UHFFFAOYSA-N;139.16;-1.03;;;;;DOPC;MDCG;27;1;"MARTINI bead: SP1_SP1";;;;;;;-0.79;;-6.56;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM401449;MM401449;C=CC(=CF)N(C=N)C=O;CFYUZVZTKDOOCM-UHFFFAOYSA-N;142.13;1.05;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4_P4";;;;;;;0.15;;-2.18;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM401450;MM401450;Cc1cnc(=N)n(N)c1N;BYZBSNDIKOTJKP-UHFFFAOYSA-N;139.16;-1.03;;;;;DOPC;MDCG;27;1;"MARTINI bead: SP1_SP3";;;;;;;-1.93;;-8.84;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM401451;MM401451;C=CC1(C)CC1C(C)O;DEQQNFNELOSYGA-UHFFFAOYSA-N;126.2;1.58;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_SC4";;;;;;;1.37;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM401452;MM401452;N=c1ncc(N)c(N)n1N;BEDSOTMRIXULAK-UHFFFAOYSA-N;140.15;-1.76;;;;;DOPC;MDCG;27;1;"MARTINI bead: SP1_SP3";;;;;;;-1.93;;-8.77;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM401453;MM401453;CC=C(C=O)N(C=O)C=O;GOTYDVJYTHDFIC-UHFFFAOYSA-N;141.13;-0.3;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_P2";;;;;;;0.54;;-1.09;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM401454;MM401454;N=c1ncc(F)c(N)n1N;QTPZZZGMDWWHTN-UHFFFAOYSA-N;143.13;-1.2;;;;;DOPC;MDCG;27;1;"MARTINI bead: SP1_SP2";;;;;;;-1.06;;-6.17;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM401455;MM401455;NC=C(C=O)N(C=O)C=O;XDRNHSOLEUAQDN-UHFFFAOYSA-N;142.11;-1.4;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_P2";;;;;;;-1.34;;-4.31;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM401456;MM401456;CCn1[nH]nc(F)c1=O;UOAIOSWRAVCVLX-UHFFFAOYSA-N;131.11;-0.27;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP2_SP1";;;;;;;-1.06;;-8.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM401457;MM401457;N#CC(=CN)N(C=O)C=O;IYCRJDAWFIAKGT-UHFFFAOYSA-N;139.11;-1.08;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_P2";;;;;;;-1.34;;-4.31;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM401458;MM401458;Cc1oc(=O)oc1C(=O)O;IYBMAPMWXIVDSE-UHFFFAOYSA-N;144.08;0.24;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNa_P1";;;;;;;0.04;;-6.83;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM401459;MM401459;N#CC(=CF)N(C=O)C=O;LNPSQBRKBFUNGC-UHFFFAOYSA-N;142.09;-0.06;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda_P2";;;;;;;-0.24;;-3.31;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM401460;MM401460;C=CN(C=O)C(C=O)=NC;OWALQWQSIKNMTK-UHFFFAOYSA-N;140.14;-0.18;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_P2";;;;;;;-0.24;;-3.24;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM401461;MM401461;N=c1ncc(F)c(F)n1N;MCUMFFXFTUJTDZ-UHFFFAOYSA-N;146.1;-0.65;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP2_SNa";;;;;;;-0.24;;-3.24;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM401462;MM401462;C=CC1(C)CCC(O)C1;BEDGQACDIOQOEM-UHFFFAOYSA-N;126.2;1.72;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC1_SNda";;;;;;;2.91;;0.57;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM401463;MM401463;Cc1cnc(=O)n(N)c1F;IFMTUCVBSKJHNB-UHFFFAOYSA-N;143.12;-0.6;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP1_SP2";;;;;;;-1.06;;-3.82;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM401464;MM401464;CC1(O)CC1C1(C)CC1;HBCVULWOKXWQIQ-UHFFFAOYSA-N;126.2;1.56;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNda_SC5";;;;;;;1.64;;0.05;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM401465;MM401465;CCC(CC)=NN=CNN;PATQHLAKCYYAHX-UHFFFAOYSA-N;142.21;0.65;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1_P4";;;;;;;0.85;;-0.64;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM401466;MM401466;C=CC(=NO)N(C=N)C=O;SFAJDJXJFRAZFT-UHFFFAOYSA-N;141.13;0.03;;;;;DOPC;MDCG;27;0;"MARTINI bead: N0_P4";;;;;;;-0.88;;-3.74;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM401467;MM401467;C=COC(=CF)C(=O)O;KTCKXPHGSATQFY-UHFFFAOYSA-N;132.09;1.04;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_C5";;;;;;;0.81;;-4.76;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM401468;MM401468;CN=C(C=O)N(C=N)C=O;GNADIICTCJWAJD-UHFFFAOYSA-N;141.13;-0.72;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_P4";;;;;;;-1.19;;-4.76;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM401469;MM401469;Nn1c(F)c(F)cnc1=O;CWZMCKYMPTUTFD-UHFFFAOYSA-N;147.08;-0.76;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP2_SNa";;;;;;;-0.24;;-3.24;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM401470;MM401470;CN=C(C=O)N(C=O)C=O;AKEXBNWSGBZGDX-UHFFFAOYSA-N;142.11;-1.17;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_P4";;;;;;;-1.19;;-4.76;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM401471;MM401471;C#CC(F)=COCC(=O)O;PEPPDXWNOPUUAO-UHFFFAOYSA-N;144.1;0.53;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_C5";;;;;;;0.54;;-5.31;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM401472;MM401472;C=CC(=CC)N(C=N)N=C;SOQWJTCQUULUKH-UHFFFAOYSA-N;137.19;1.6;;;;;DOPC;MDCG;27;0;"MARTINI bead: N0_Nd";;;;;;;1.17;;-1.04;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM401473;MM401473;C=COC(C)C(=O)C(=O)O;GRVAPECSESJACM-UHFFFAOYSA-N;144.13;0.19;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_P2";;;;;;;0.54;;-5.31;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM401474;MM401474;C#CCCC(O)CC=C;KSWNZTXYXRDYAM-UHFFFAOYSA-N;124.18;1.34;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda_C5";;;;;;;1.64;;0.05;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM401475;MM401475;N#CC(=O)NOCC(N)=O;RRZDISLUWPJCOD-UHFFFAOYSA-N;143.1;-1.96;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_P2";;;;;;;-1.34;;-8.56;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM401476;MM401476;C=CN(N=C)C(C=O)=NC;ZECMKVUWOSSHRZ-UHFFFAOYSA-N;139.16;0.27;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_N0";;;;;;;0.06;;-2.21;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM401477;MM401477;N=c1ncc(O)c(N)n1O;GDCLHQJQIGOQIR-UHFFFAOYSA-N;142.12;-1.11;;;;;DOPC;MDCG;27;1;"MARTINI bead: SP1_SP2";;;;;;;-1.06;;-7.08;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM401478;MM401478;C=CC(=NC)N(C=N)N=C;FVKXWGMHBTUASQ-UHFFFAOYSA-N;138.17;0.73;;;;;DOPC;MDCG;27;0;"MARTINI bead: N0_P2";;;;;;;0.06;;-2.21;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM401479;MM401479;N=c1ncc(F)c(N)n1O;IZNORZYKSVUFRY-UHFFFAOYSA-N;144.11;-0.68;;;;;DOPC;MDCG;27;1;"MARTINI bead: SNa_SP2";;;;;;;-0.24;;-5.21;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM401480;MM401480;C=NN(C=N)C(C=O)=NC;DXIOVIHODCZGLH-UHFFFAOYSA-N;140.15;-0.26;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_P2";;;;;;;-0.24;;-3.24;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM401481;MM401481;NC(N)=C(OC=O)C(=O)O;CNSAIRQBNKNPPJ-UHFFFAOYSA-N;146.1;-1.67;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_P1";;;;;;;-1.06;;-8.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM401482;MM401482;CC#Cc1cc(O)[nH]n1;UCSSJHBXOFCWPK-UHFFFAOYSA-N;122.13;0.49;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNda_SP1";;;;;;;0.04;;-7.4;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM401483;MM401483;C=CCC(O)C(=O)C(=O)O;JLWQRMJVJJXFMO-UHFFFAOYSA-N;144.13;-0.42;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda_P2";;;;;;;-0.24;;-7.54;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM401484;MM401484;C=CCC(O)CC=CC;BZEJOSPZJVUZMC-UHFFFAOYSA-N;126.2;1.89;;;;;DOPC;MDCG;27;0;"MARTINI bead: C2_Nda";;;;;;;2.83;;0.57;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM401485;MM401485;CC(O)C#CC(F)C(=O)O;QPCBEICYSUUOJZ-UHFFFAOYSA-N;146.12;-0.21;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda_P1";;;;;;;0.04;;-7.01;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM401486;MM401486;C=NN(C=O)C(C=O)=NC;ZZIIEQCYXKFRTI-UHFFFAOYSA-N;141.13;-0.71;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_P2";;;;;;;-0.24;;-3.24;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM401487;MM401487;C=CC(CC)=NN=CNN;PSRCENJBRZPWFD-UHFFFAOYSA-N;140.19;0.43;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1_P4";;;;;;;0.85;;-0.64;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM401488;MM401488;C#CC(=CF)C(C#N)C=O;ISDUEAUSXDLUKO-UHFFFAOYSA-N;137.11;0.81;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_P2";;;;;;;0.54;;-1.09;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM401489;MM401489;C#CC(C=O)C(C#N)=NO;QSFPZXNLVHWCMK-UHFFFAOYSA-N;136.11;-0.21;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_Na";;;;;;;-0.24;;-7.49;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM401490;MM401490;C#CC(=CF)C(C#N)C#N;OCISGNJENHTRPS-UHFFFAOYSA-N;134.11;1.14;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_P2";;;;;;;0.54;;-1.09;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM401491;MM401491;CC=Nn1oc(O)nc1=O;LINBYMBJSOYYKU-UHFFFAOYSA-N;143.1;-0.6;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP1_SP1";;;;;;;-0.79;;-7.43;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM401492;MM401492;C#CC(=CC)N(C=N)C=O;ORZOLTBYIHIOAM-UHFFFAOYSA-N;136.15;0.59;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4_P4";;;;;;;0.15;;-2.18;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM401493;MM401493;ON=c1[nH]nc(CF)o1;NEYCZLSEIHXQCE-UHFFFAOYSA-N;133.08;-0.24;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP3_SP1";;;;;;;-1.93;;-8.71;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM401494;MM401494;C#CC(=CC)N(C=O)C=O;RERAZUIQWQYDNO-UHFFFAOYSA-N;137.14;0.14;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_P2";;;;;;;0.54;;-1.09;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM401495;MM401495;Cc1nnc(=N)n(C)c1N;OLDUNSAACXVPNS-UHFFFAOYSA-N;139.16;-0.81;;;;;DOPC;MDCG;27;1;"MARTINI bead: SP3_SP1";;;;;;;-1.93;;-8.57;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM401496;MM401496;C#CC(=NO)N(C=C)C=C;IGFGWBVCDDXPAY-UHFFFAOYSA-N;136.15;1;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda_N0";;;;;;;1.17;;-1.13;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM401497;MM401497;Cn1c(N)c(N)nnc1=N;UNKUHVKCWLSEOT-UHFFFAOYSA-N;140.15;-1.54;;;;;DOPC;MDCG;27;1;"MARTINI bead: SP3_SP2";;;;;;;-2.2;;-8.79;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM401498;MM401498;C=NN=C(C)N=CNN;QRJPKVASZZXPJL-UHFFFAOYSA-N;127.15;-0.49;;;;;DOPC;MDCG;27;0;"MARTINI bead: P4_C5";;;;;;;-0.41;;-2.77;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM401499;MM401499;Cn1c(N)c(F)nnc1=N;JLNNGKYHNWUAGG-UHFFFAOYSA-N;143.13;-0.98;;;;;DOPC;MDCG;27;1;"MARTINI bead: SP1_SP3";;;;;;;-1.93;;-6.99;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM401500;MM401500;C=C(C(C)C)C(O)CC;VCGNHFNDKSMFCB-UHFFFAOYSA-N;128.22;1.97;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_C3";;;;;;;3.34;;0.48;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM401501;MM401501;Cn1c(N)c(O)nnc1=O;IVSQRKBFMRAMFQ-UHFFFAOYSA-N;142.12;-1.54;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP2_SP2";;;;;;;-1.34;;-4.31;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM401502;MM401502;C#CC(=NN)N(C=O)C=O;LDGPPXJTFUKJAV-UHFFFAOYSA-N;139.11;-1.49;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_P2";;;;;;;-1.34;;-4.31;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM401503;MM401503;Cn1c(N)c(F)nnc1=O;OEMZFSNIEMMDJO-UHFFFAOYSA-N;144.11;-1.1;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP1_SP2";;;;;;;-1.06;;-3.82;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM401504;MM401504;C#CC(=CF)N(C=N)N=C;GROUEYRYUFTOGV-UHFFFAOYSA-N;139.13;0.96;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_P2";;;;;;;0.54;;-1.09;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM401505;MM401505;C#CCc1cc(O)on1;ZCTXRPDZNBGQSI-UHFFFAOYSA-N;123.11;0.56;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNda_SNa";;;;;;;0.87;;-6.31;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM401506;MM401506;C#CC(=CF)N(C=O)N=C;VSGMMJROKSCNNF-UHFFFAOYSA-N;140.12;0.5;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_P2";;;;;;;0.54;;-1.09;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM401507;MM401507;Cc1noc(O)c1F;GNQIBVKDUMRSJH-UHFFFAOYSA-N;117.08;0.83;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNa_SNda";;;;;;;0.87;;-6.31;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM401508;MM401508;C#CC(C=C)C(CC)=NO;DQCZFDDGFSTSTM-UHFFFAOYSA-N;137.18;1.66;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda_C5";;;;;;;1.64;;0.05;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM401509;MM401509;N=CN=C(NC=O)C(=O)O;KNBPGGDSTHCEMI-UHFFFAOYSA-N;143.1;-1.18;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_P3";;;;;;;-1.93;;-8.71;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM401510;MM401510;N=c1nc(F)c(O)nn1O;QETBSVPRVOOBGJ-UHFFFAOYSA-N;146.08;-1.16;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP3_SP1";;;;;;;-1.93;;-8.91;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM401511;MM401511;Cn1c(F)c(F)nnc1=N;PDPUZJADPCYSPE-UHFFFAOYSA-N;146.1;-0.43;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP2_SP1";;;;;;;-1.06;;-3.82;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM401512;MM401512;C#CC(C=O)C(=NC)NC;JJUUFEPRCMOTBE-UHFFFAOYSA-N;138.17;-0.32;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1_Na";;;;;;;0.04;;-4.39;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM401513;MM401513;Cc1nnc(=O)n(C)c1F;YHUBNLWZTRJEDI-UHFFFAOYSA-N;143.12;-0.38;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP3_SNa";;;;;;;-1.1;;-4.2;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM401514;MM401514;C#CC(C=O)C(C=O)=CC;FWMWOILMFRPUTD-UHFFFAOYSA-N;136.15;0.58;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_Na";;;;;;;0.87;;-2.22;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM401515;MM401515;Cn1c(F)c(N)nnc1=O;UEJSRBNNKKOWQC-UHFFFAOYSA-N;144.11;-1.1;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP2_SP2";;;;;;;-1.34;;-4.31;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM401516;MM401516;C#CC(C#N)C(C#N)=CC;QPMUPVOPOBANJO-UHFFFAOYSA-N;130.15;1.23;;;;;DOPC;MDCG;27;0;"MARTINI bead: N0_N0";;;;;;;1.47;;-0.04;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM401517;MM401517;N=CN(O)C(=NN)C(=O)O;OBYYTXYYDWPKTE-UHFFFAOYSA-N;146.11;-1.36;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_P2";;;;;;;-1.34;;-8.56;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM401518;MM401518;C#CC(C=O)C(C=O)=CN;SOFBYNZJXKGOSV-UHFFFAOYSA-N;137.14;-0.52;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_Na";;;;;;;-0.24;;-3.24;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM401519;MM401519;Cn1c(F)c(F)nnc1=O;OEWKMLGSYCDAOD-UHFFFAOYSA-N;147.08;-0.55;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNa_SP2";;;;;;;-0.24;;-3.24;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM401520;MM401520;C#CC(C#N)C(C#N)=CN;HEZNYGPYENMLGK-UHFFFAOYSA-N;131.14;0.13;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_N0";;;;;;;0.34;;-1.53;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM401521;MM401521;N=c1nc(O)c(=N)n(O)o1;PIXLXXPLJSZBON-UHFFFAOYSA-N;144.09;-1.62;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP3_SP2";;;;;;;-2.2;;-9.21;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM401522;MM401522;C=CC1(CO)NC1C(=O)O;CKRBKLXHWCCJEI-UHFFFAOYSA-N;143.14;-1.04;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP2_P1";;;;;;;-1.06;;-8.41;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM401523;MM401523;Cc1nnc(=N)n(N)c1F;CDGWZKISNAQSLO-UHFFFAOYSA-N;143.13;-1.08;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP3_SP1";;;;;;;-1.93;;-4.72;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM401524;MM401524;C#CC(=O)NC(=N)C(=O)O;VHELXXRQMLIYBD-UHFFFAOYSA-N;140.1;-1.2;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_P2";;;;;;;-1.34;;-8.93;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM401525;MM401525;C#CC(C#N)NC1CC1C;UDHQJCDJUPCQRF-UHFFFAOYSA-N;134.18;0.51;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC5_P1";;;;;;;0.81;;-0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM401526;MM401526;C#CC(=NN)C(C#C)C=C;KUJMSIURFCXVDB-UHFFFAOYSA-N;132.17;0.37;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_C5";;;;;;;0.81;;-0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM401527;MM401527;O=C(O)C(=O)C1CC1;LCSYJVAKMPOJIB-UHFFFAOYSA-N;114.1;0.05;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_SC5";;;;;;;0.54;;-5.32;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM401528;MM401528;O=C(O)C(=O)C=C(F)CO;YNLSREBSDKXIQB-UHFFFAOYSA-N;148.09;-0.51;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda_P2";;;;;;;-0.24;;-7.89;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM401529;MM401529;N=c1nnc(F)c(F)n1N;SKPPYRDQUUEDNF-UHFFFAOYSA-N;147.09;-1.25;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP2_SP1";;;;;;;-1.06;;-3.82;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM401530;MM401530;CNN(C)C(=O)C(C)=O;YSGYCCLMIRHPDZ-UHFFFAOYSA-N;130.15;-0.83;;;;;DOPC;MDCG;27;0;"MARTINI bead: P3_Na";;;;;;;-1.1;;-4.2;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM401531;MM401531;Cc1nnc(=O)n(N)c1F;POUUMQIHCXRWDB-UHFFFAOYSA-N;144.11;-1.2;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP3_SP1";;;;;;;-1.93;;-4.72;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM401532;MM401532;CCC(O)C(C)=C(C)C;QPCYVZJJMPQKAM-UHFFFAOYSA-N;128.22;2.11;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda_C1";;;;;;;2.91;;0.57;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM401533;MM401533;CC=Cc1nc(NC)co1;DYPMCVTWUAGTGK-UHFFFAOYSA-N;138.17;1.75;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNda_SC5";;;;;;;1.64;;0.05;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM401534;MM401534;O=c1[nH]c(F)c(O)o1;HNVXYIXSQTYONL-UHFFFAOYSA-N;119.05;-0.19;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP2_SNda";;;;;;;-0.24;;-7.55;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM401535;MM401535;O=C(O)C(=O)C(O)CO;CODPBKJMVNZFKR-UHFFFAOYSA-N;134.09;-2.01;;;;;DOPC;MDCG;27;0;"MARTINI bead: P3_P2";;;;;;;-2.2;;-9.43;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM401536;MM401536;Nn1c(F)c(F)nnc1=O;HNAVZPPGCUCBAL-UHFFFAOYSA-N;148.07;-1.37;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP2_SP1";;;;;;;-1.06;;-3.82;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM401537;MM401537;CC=C(CN)C(=CF)CC;LPSKZNJFBBFLCL-UHFFFAOYSA-N;143.21;2.15;;;;;DOPC;MDCG;27;1;"MARTINI bead: C3_Nd";;;;;;;2.57;;-0.92;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM401538;MM401538;CC=C(CN)C(=CC)CN;FPYUFTRSVAETAZ-UHFFFAOYSA-N;140.23;0.8;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_Nd";;;;;;;0.87;;-4.61;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM401539;MM401539;Cc1nn(C)c(=NN)n1N;FPCJDJDYWFLCNR-UHFFFAOYSA-N;142.17;-1.98;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP2_SP3";;;;;;;-2.2;;-5.19;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM401540;MM401540;OCC(=CF)C(=CF)CO;MCSRXZAUEQZVMQ-UHFFFAOYSA-N;150.12;0.68;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_P1";;;;;;;0.04;;-2.54;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM401541;MM401541;Cn1oc(N)c(F)c1=NN;RUCMYQULFBZTDP-UHFFFAOYSA-N;146.13;-0.89;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNda_SP1";;;;;;;0.04;;-2.73;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM401542;MM401542;CC=C(CC)C(CN)=NO;XTFLTHOKKRDSOW-UHFFFAOYSA-N;142.2;1.13;;;;;DOPC;MDCG;27;1;"MARTINI bead: C1_P3";;;;;;;0.94;;-1.08;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM401543;MM401543;O=c1nc(O)c(=O)n(O)o1;RTCPQNGKOQHQQS-UHFFFAOYSA-N;146.06;-1.86;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP3_SP2";;;;;;;-2.2;;-9.22;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM401544;MM401544;CC=C(CN)C(CC)=NO;RHILGPBYXRWDKR-UHFFFAOYSA-N;142.2;1.13;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1_C5";;;;;;;0.81;;-2.29;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM401545;MM401545;O=c1cc(F)c(=O)n(O)[nH]1;XGNUPQQVCOUMAQ-UHFFFAOYSA-N;146.08;-1.09;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP2_SP1";;;;;;;-1.06;;-8.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM401546;MM401546;CC=C(CF)C(CF)=NN;HCEXJIBMYUTXMO-UHFFFAOYSA-N;148.16;1.19;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4_P1";;;;;;;1.37;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM401547;MM401547;CC(=O)N(O)C=CC(=O)O;CCRUSJWFKXCAMH-UHFFFAOYSA-N;145.11;-0.18;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_P2";;;;;;;-0.24;;-7.5;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM401548;MM401548;C=C(CC)C(O)CCC;UCBUYFVJWWIUEO-UHFFFAOYSA-N;128.22;2.11;;;;;DOPC;MDCG;27;0;"MARTINI bead: C3_C5";;;;;;;3.34;;0.48;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM401549;MM401549;CCCC1CC1C1(O)CC1;QVZYRDYIWLSXSQ-UHFFFAOYSA-N;140.23;1.95;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC2_SP1";;;;;;;2;;0.29;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM401550;MM401550;CC=CC(O)C(C)CC;PBUFFSDVAJFDKT-UHFFFAOYSA-N;128.22;1.97;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1_Nda";;;;;;;2.91;;0.57;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM401551;MM401551;Cc1ccc(N)c(F)c1O;RFSQTOQPSFDFIO-UHFFFAOYSA-N;141.15;1.42;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC5_SNda";;;;;;;1.64;;0.05;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM401552;MM401552;NC=C(CO)C(=NO)NO;LHEDWTCFZOBSIC-UHFFFAOYSA-N;147.13;-1.41;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_P4";;;;;;;-2.29;;-5.95;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM401553;MM401553;Cc1c(F)ccn(N)c1=N;PNIGOFJDVZWGAB-UHFFFAOYSA-N;141.15;0.13;;;;;DOPC;MDCG;27;1;"MARTINI bead: SNa_SP1";;;;;;;0.04;;-4.1;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM401554;MM401554;CC=C(C)C(O)CCC;ZNDVDCRTFTZPRQ-UHFFFAOYSA-N;128.22;2.11;;;;;DOPC;MDCG;27;0;"MARTINI bead: C3_C5";;;;;;;3.34;;0.48;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM401555;MM401555;Cc1ccn(N)c(=N)c1N;PGJGISOYPRHRDP-UHFFFAOYSA-N;138.17;-0.43;;;;;DOPC;MDCG;27;1;"MARTINI bead: SNd_SP1";;;;;;;0.04;;-4.13;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM401556;MM401556;COC(=CF)C(=CF)CN;FCNPNNSOURLNLF-UHFFFAOYSA-N;149.14;1.26;;;;;DOPC;MDCG;27;1;"MARTINI bead: N0_P1";;;;;;;0.34;;-3.57;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM401557;MM401557;Cc1ccn(O)c(=N)c1N;HPBLRWSZKJMIOE-UHFFFAOYSA-N;139.16;0.1;;;;;DOPC;MDCG;27;1;"MARTINI bead: SNd_SNda";;;;;;;0.87;;-3.02;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM401558;MM401558;COC(=CF)C(=CF)CO;IKFCRSCYQCCOHU-UHFFFAOYSA-N;150.12;1.29;;;;;DOPC;MDCG;27;0;"MARTINI bead: N0_Nda";;;;;;;1.17;;-1.13;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM401559;MM401559;Cn1ccc(N)c(O)c1=N;LHBARRYVDIPIJV-UHFFFAOYSA-N;139.16;-0.21;;;;;DOPC;MDCG;27;1;"MARTINI bead: SNd_SP1";;;;;;;0.04;;-8.34;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM401560;MM401560;CC=C(CN)C(=NO)OC;HJBMJSNCWGWMMD-UHFFFAOYSA-N;144.17;0.33;;;;;DOPC;MDCG;27;1;"MARTINI bead: P2_Nd";;;;;;;-0.24;;-6.23;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM401561;MM401561;Cc1ccn(N)c(=N)c1O;RHQAVXCKDUHLEZ-UHFFFAOYSA-N;139.16;-0.3;;;;;DOPC;MDCG;27;1;"MARTINI bead: SN0_SP2";;;;;;;0.06;;-6.77;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM401562;MM401562;C=CC1(O)C(C)C1CC;ANGUKZZPEWQTMV-UHFFFAOYSA-N;126.2;1.58;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_SNda";;;;;;;1.64;;0.05;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM401563;MM401563;Cc1ccn(C)c(=N)c1F;FTSAYERGIWGOPZ-UHFFFAOYSA-N;140.16;0.95;;;;;DOPC;MDCG;27;1;"MARTINI bead: SNd_SNa";;;;;;;0.87;;-4.1;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM401564;MM401564;COC(=NO)C(=CN)CO;GSTZMAPTELYRMA-UHFFFAOYSA-N;146.15;-0.74;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_P2";;;;;;;-1.34;;-4.31;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM401565;MM401565;N=c1c(F)c(F)ccn1N;CUQVKLJWNNQGMP-UHFFFAOYSA-N;145.11;-0.04;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNa_SP1";;;;;;;0.04;;-2.54;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM401566;MM401566;C=CN=C(C#N)NN=C;SNNQQDWLHSUCCE-UHFFFAOYSA-N;122.13;0.26;;;;;DOPC;MDCG;27;0;"MARTINI bead: N0_P1";;;;;;;0.34;;-1.53;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM401567;MM401567;N#CC12CCC(=O)C(C1)N2;MVEDLDNYIZXMNG-UHFFFAOYSA-N;136.15;-0.03;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNa_SP1";;;;;;;0.04;;-2.54;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM401568;MM401568;COC(=NO)C(=CN)CF;SRRNGHQGKKZKIZ-UHFFFAOYSA-N;148.14;0.23;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_Nda";;;;;;;-0.24;;-3.31;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM401569;MM401569;Cc1ccn(C)c(=O)c1F;JTMGIEJOLAXRAC-UHFFFAOYSA-N;141.15;0.83;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNa_SNa";;;;;;;0.87;;-2.22;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM401570;MM401570;CN=C1NC(=N)C(=O)O1;CJWUGAIGGBWSGS-UHFFFAOYSA-N;127.1;-0.9;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP1_SP2";;;;;;;-1.06;;-3.82;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM401571;MM401571;Cc1ccn(N)c(=O)c1F;MEOXMRDOCXNSNM-UHFFFAOYSA-N;142.13;0.01;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP1_SNa";;;;;;;0.04;;-2.54;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM401572;MM401572;CCC(=NO)C(CC)=NO;DFTMMVSDKIXUIX-UHFFFAOYSA-N;144.17;1.47;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda_Nda";;;;;;;0.87;;-2.07;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM401573;MM401573;COC(=O)C(O)C(=O)O;PQQRBNAMXNZVAL-UHFFFAOYSA-N;134.09;-1.4;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_P1";;;;;;;-1.06;;-8.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM401574;MM401574;CCC(=NO)C(CO)=NN;AASBPOYLDFLWAI-UHFFFAOYSA-N;145.16;-0.47;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda_P2";;;;;;;-0.24;;-3.31;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM401575;MM401575;CCC1NN=C(C=O)C1C;DLCAPGXWIJGODS-UHFFFAOYSA-N;140.19;0.56;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNd_SP1";;;;;;;0.04;;-2.63;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM401576;MM401576;N#CC(=NO)C(C#N)CF;DGQSZEUPBGPNLR-UHFFFAOYSA-N;141.11;0.45;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_Na";;;;;;;-0.24;;-7.87;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM401577;MM401577;CNc1nnn(C=N)c1C;MWEPYGAUKMQHHS-UHFFFAOYSA-N;139.16;0.08;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP1_SP2";;;;;;;-1.06;;-3.82;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM401578;MM401578;C=NN=C1COC(=C)N1;BREOQMPQUWWXAF-UHFFFAOYSA-N;125.13;0.09;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP1_SP1";;;;;;;-0.79;;-3.13;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM401579;MM401579;N#Cc1ncn(C=O)c1N;AXEBUIBRUVSSHM-UHFFFAOYSA-N;136.11;-0.62;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNa_SP2";;;;;;;-0.24;;-3.24;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM401580;MM401580;CN=c1cnoc(N)n1;WMLIZVDMIHEBII-UHFFFAOYSA-N;126.12;-0.82;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP3_SP3";;;;;;;-3.07;;-6.15;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM401581;MM401581;Cn1cnc(F)c(F)c1=N;YGQFXRAVJDQLMO-UHFFFAOYSA-N;145.11;0.18;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNa_SP3";;;;;;;-1.1;;-4.2;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM401582;MM401582;C=CC1C(C)C1C(C)O;BLVFDOYVTLTCIO-UHFFFAOYSA-N;126.2;1.44;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_SC4";;;;;;;1.37;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM401583;MM401583;CC(C=O)ONC(=O)C#N;BVRFISARNRCVSX-UHFFFAOYSA-N;142.11;-0.85;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_P2";;;;;;;-0.24;;-7.5;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM401584;MM401584;C=CC(C=C)(C=C)CO;DUNWKRJATSFIDA-UHFFFAOYSA-N;124.18;1.52;;;;;DOPC;MDCG;27;0;"MARTINI bead: P3_C1";;;;;;;0.94;;0.03;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM401585;MM401585;C#Cc1onc(C=C)c1N;ZDXSFNCCXQSZSR-UHFFFAOYSA-N;134.14;0.88;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNa_SNd";;;;;;;0.87;;-1.88;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM401586;MM401586;CCC(=NO)C(=CN)OC;LYDNRDQTSBXBJC-UHFFFAOYSA-N;144.17;0.67;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda_P1";;;;;;;0.04;;-2.73;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM401587;MM401587;CC1NC1C=NN=CNN;GOKDEKAHBQYMPH-UHFFFAOYSA-N;141.18;-1.18;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP1_P4";;;;;;;-2.01;;-5.13;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM401588;MM401588;CCC12CCC(=O)C1N2;CESNQMJCPKEHLF-UHFFFAOYSA-N;125.17;0.47;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNd_SNa";;;;;;;0.87;;-1.88;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM401589;MM401589;C#CC(=NN)N1CC1C=C;LDVLHQMEKLLIDX-UHFFFAOYSA-N;135.17;-0.24;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_SP1";;;;;;;-1.06;;-3.82;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM401590;MM401590;C#CC(=O)C1NC1C#C;AULJWMWCHACMDP-UHFFFAOYSA-N;119.12;-0.84;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_SP3";;;;;;;-1.93;;-4.72;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM401591;MM401591;Cc1cnn(N)c(=N)c1N;YVPXCQRSGQPJKD-UHFFFAOYSA-N;139.16;-1.03;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP1_SP2";;;;;;;-1.06;;-3.82;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM401592;MM401592;COC(=NO)C(CO)=NN;PTDFUJJRINHBRQ-UHFFFAOYSA-N;147.13;-1.27;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_P2";;;;;;;-1.34;;-4.31;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM401593;MM401593;C#CC(=NN)N1CC1C#C;RDMHLFQVJRZEEH-UHFFFAOYSA-N;133.15;-0.79;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_SP3";;;;;;;-2.2;;-5.19;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM401594;MM401594;O=C(O)C(=O)C(=CF)CO;XXECSKCLYGHNCQ-UHFFFAOYSA-N;148.09;-0.51;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda_P2";;;;;;;-0.24;;-7.89;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM401595;MM401595;N=c1c(N)c(O)cnn1O;WJIAWQLFAUHWAR-UHFFFAOYSA-N;142.12;-1.11;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP2_SP2";;;;;;;-1.34;;-4.31;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM401596;MM401596;C=C(C#CC(=O)O)CO;BYHFNDAQSWABBA-UHFFFAOYSA-N;126.11;-0.38;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda_P1";;;;;;;0.04;;-7.41;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM401597;MM401597;Cc1cnn(C)c(=N)c1F;UQYDLSINDNJCKI-UHFFFAOYSA-N;141.15;0.35;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNa_SP2";;;;;;;-0.24;;-3.24;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM401598;MM401598;CN=C(NC)C(=NN)NC;JGTSZFSYSMQFLV-UHFFFAOYSA-N;143.19;-1.27;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_P2";;;;;;;-0.24;;-5.71;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM401599;MM401599;CCC=CC=NN=CNN;MYMFUUNJPXEJBM-UHFFFAOYSA-N;140.19;0.43;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1_P4";;;;;;;0.85;;-0.64;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM401600;MM401600;CN=C(NC)C(=NO)NN;LLAWHRSLUYVKSM-UHFFFAOYSA-N;145.17;-1.51;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nda_P3";;;;;;;-1.1;;-5.18;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM401601;MM401601;Cc1cnn(N)c(=N)c1F;VXBKMWMPGVRENI-UHFFFAOYSA-N;142.14;-0.48;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNa_SP2";;;;;;;-0.24;;-3.24;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM401602;MM401602;CC=C(OC)C(=NN)NC;CCOQXBNUMDZUDH-UHFFFAOYSA-N;143.19;0.03;;;;;DOPC;MDCG;27;1;"MARTINI bead: P2_C5";;;;;;;0.54;;-2.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM401603;MM401603;O=CC1OC1C(=O)O;BIFCJMYQXQSHFE-UHFFFAOYSA-N;116.07;-0.96;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_SP2";;;;;;;-1.06;;-8.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM401604;MM401604;CON=CC=NN=CNN;QCGFHEWDEQNWJG-UHFFFAOYSA-N;143.15;-0.9;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_Nd";;;;;;;-0.24;;-3.16;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM401605;MM401605;COC(=CN)C(=NO)NO;KFIWXADXNMVXMH-UHFFFAOYSA-N;147.13;-0.8;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_P2";;;;;;;-1.34;;-4.31;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM401606;MM401606;C#CC1CN1C=NNCC;XZRRCBZMFQWHNY-UHFFFAOYSA-N;137.19;-0.14;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_SP1";;;;;;;-0.79;;-3.13;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM401607;MM401607;COC(=CF)C(=CF)OC;CPSCCCZQIGSIKD-UHFFFAOYSA-N;150.12;1.9;;;;;DOPC;MDCG;27;0;"MARTINI bead: N0_N0";;;;;;;1.47;;-0.05;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM401608;MM401608;Cc1c(F)nnn(N)c1=N;BMOZGJUSBIOOTI-UHFFFAOYSA-N;143.13;-1.08;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP1_SP3";;;;;;;-1.93;;-4.72;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM401609;MM401609;C=C(C)C1(C)CC(C)(O)C1;POTTUOHTTGKJJG-UHFFFAOYSA-N;140.23;2.11;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC1_SNda";;;;;;;2.91;;0.57;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM401610;MM401610;NN=C1CCC(CF)=NN1;BCDDHFVQFDOHJT-UHFFFAOYSA-N;144.15;-0.03;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP1_SNa";;;;;;;0.04;;-2.54;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM401611;MM401611;CC=C(OC)C(=NO)OC;ONMPFPSCFLHWDY-UHFFFAOYSA-N;145.16;0.97;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_P2";;;;;;;0.54;;-1.09;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM401612;MM401612;COC1=NN=C(NN)CC1;NCELDFAWLWTOAO-UHFFFAOYSA-N;142.16;-0.4;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNa_SNd";;;;;;;0.87;;-1.88;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM401613;MM401613;CC(C#N)NC=CC(=O)O;KHAGFYBXWFUJKE-UHFFFAOYSA-N;140.14;0.09;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_Nda";;;;;;;-0.24;;-7.89;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM401614;MM401614;C=C1CC(O)CC1C;NOVCSOORTWWFQC-UHFFFAOYSA-N;112.17;1.33;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNda_SC3";;;;;;;2.57;;0.44;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM401615;MM401615;Cn1nnc(C#N)c1O;OKASLYOAHCVOPY-UHFFFAOYSA-N;124.1;-0.61;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP2_SP1";;;;;;;-1.06;;-8.42;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM401616;MM401616;Cc1nnn(C)c(=N)c1F;PRQYMNBWLOMRPT-UHFFFAOYSA-N;142.14;-0.26;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP1_SP2";;;;;;;-1.06;;-3.82;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM401617;MM401617;CC=C(C#N)C(CC)=NO;WRJHZMRUWROBEF-UHFFFAOYSA-N;138.17;1.7;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda_N0";;;;;;;1.17;;-1.13;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM401618;MM401618;N=c1c(F)c(F)nnn1N;IEYWRPMWZQWUBV-UHFFFAOYSA-N;147.09;-1.25;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNa_SP3";;;;;;;-1.1;;-4.2;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM401619;MM401619;CC(F)(F)CC(C#N)=CN;XYFWKMJSUJNDFQ-UHFFFAOYSA-N;146.14;1.4;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_P1";;;;;;;0.81;;-0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM401620;MM401620;C=CC(O)C1(C)CC1;BXERQQVINYBPQN-UHFFFAOYSA-N;112.17;1.33;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC5_Nda";;;;;;;1.64;;0.05;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM401621;MM401621;CCON=c1[nH]oc(=O)o1;VTEMMZJSHJVKPD-UHFFFAOYSA-N;146.1;-0.59;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_SP2";;;;;;;-1.06;;-8.42;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM401622;MM401622;N=c1c(F)c(F)nnn1O;OYNKPAXFUBVJRQ-UHFFFAOYSA-N;148.07;-0.73;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNa_SP3";;;;;;;-1.1;;-4.2;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM401623;MM401623;CON=c1[nH]oc(=O)o1;ZDDUGCKXKRGXAH-UHFFFAOYSA-N;132.08;-0.98;;;;;DOPC;MDCG;27;0;"MARTINI bead: P3_SP2";;;;;;;-2.2;;-9.43;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM401624;MM401624;C=c1ccc(C)c(C)c1=C;DVZHYMKRTXPRFV-UHFFFAOYSA-N;132.21;1.12;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC3_SC3";;;;;;;4.27;;0.2;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM401625;MM401625;Cc1n[nH]c(O)c1F;LIMAINMWAMGRPC-UHFFFAOYSA-N;116.1;0.56;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNda_SNda";;;;;;;0.87;;-6.82;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM401626;MM401626;CN=C(NC)C(C#N)=CN;XCSYSWGGZVARDC-UHFFFAOYSA-N;138.17;-0.4;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_P2";;;;;;;-0.24;;-4.17;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM401627;MM401627;C=c1ccc(F)c(C)c1=C;OJJHUBFHNIKUOT-UHFFFAOYSA-N;136.17;0.95;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC4_SC3";;;;;;;3.9;;0.47;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM401628;MM401628;CC=C(OC)C(C=O)=CN;NGJXMDNNAAJPCW-UHFFFAOYSA-N;141.17;0.58;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_P2";;;;;;;0.54;;-1.09;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM401629;MM401629;C=c1ccc(C)c(F)c1=C;MPKMMDNWQKZRAB-UHFFFAOYSA-N;136.17;0.95;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC4_SC3";;;;;;;3.9;;0.47;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM401630;MM401630;CC=C(OC)C(C#N)=CN;DMWYHBLCHQNUPJ-UHFFFAOYSA-N;138.17;0.9;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_P1";;;;;;;0.81;;-0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM401631;MM401631;C=c1ccc(F)c(F)c1=C;KSOUAXICDPCQLC-UHFFFAOYSA-N;140.13;0.79;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC4_SC3";;;;;;;3.9;;0.47;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM401632;MM401632;C=CC#Cc1cc(O)[nH]n1;UABQIGCPEHMKAU-UHFFFAOYSA-N;134.14;0.65;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP1_SNda";;;;;;;0.04;;-7.41;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM401633;MM401633;Nc1[nH]cc(N)c(=O)c1O;IOVGHEWYZAZGDY-UHFFFAOYSA-N;141.13;-0.76;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP3_SP1";;;;;;;-1.93;;-4.72;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM401634;MM401634;COC(=CN)C(C=O)=NO;FRYSOQDIOIXYOS-UHFFFAOYSA-N;144.13;-0.54;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_P1";;;;;;;-0.79;;-3.13;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM401635;MM401635;CC1=C(C=O)N=NC1=CO;DFXDNDWGPOLNGG-UHFFFAOYSA-N;138.13;1.32;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNa_SNda";;;;;;;0.87;;-6.32;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM401636;MM401636;C=CC(C)(C=C)CC(C)O;BRMNAHZIPBLTFA-UHFFFAOYSA-N;140.23;2.14;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda_C1";;;;;;;2.91;;0.57;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM401637;MM401637;COc1nnc(O)o1;RJNMAVILZOIHES-UHFFFAOYSA-N;116.08;-0.22;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP1_SP1";;;;;;;-0.79;;-7.44;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM401638;MM401638;C=CC(=CF)C(=NO)OC;UMNUUYQIGPZSGD-UHFFFAOYSA-N;145.13;1.46;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_C4";;;;;;;1.09;;-0.37;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM401639;MM401639;CC1=C(C)C(C)=C(C)CC1;JJPAXBYLYZUQDL-UHFFFAOYSA-N;136.24;3.45;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC2_SC2";;;;;;;4.78;;0.59;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM401640;MM401640;C#CC(=NO)C(=CN)CO;VZNQBJCRKSODKX-UHFFFAOYSA-N;140.14;-0.72;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_P1";;;;;;;-1.06;;-3.82;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM401641;MM401641;CC1=C(C)C(C)=C(F)CC1;VZRZKGGFERSINV-UHFFFAOYSA-N;140.2;3.36;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC2_SC4";;;;;;;4.16;;0.44;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM401642;MM401642;C=CC1(CC)CC(C)(O)C1;RSYKVGHXTJDYMB-UHFFFAOYSA-N;140.23;2.11;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC1_SNda";;;;;;;2.91;;0.57;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM401643;MM401643;Nc1ccc(F)c(O)c1O;MDGACJHNCDMARY-UHFFFAOYSA-N;143.12;0.82;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNda_SC5";;;;;;;1.64;;0.05;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM401644;MM401644;CCC#CCC(C)(O)CC;HTLHCYISZDHSCD-UHFFFAOYSA-N;140.23;1.95;;;;;DOPC;MDCG;27;0;"MARTINI bead: C3_Nda";;;;;;;2.57;;0.44;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM401645;MM401645;Nc1ccc(N)c(F)c1O;CDGMWIJHZZJUPJ-UHFFFAOYSA-N;142.13;0.7;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNda_SNda";;;;;;;0.87;;-2.07;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM401646;MM401646;CCNNC(=O)C(=O)O;VEQNQYFIQPJMPF-UHFFFAOYSA-N;132.12;-1.29;;;;;DOPC;MDCG;27;0;"MARTINI bead: P3_P1";;;;;;;-1.93;;-8.91;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM401647;MM401647;Cc1ccc(C)c(F)c1F;DYSJQUQJVBYIOT-UHFFFAOYSA-N;142.15;2.58;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC4_SC4";;;;;;;3.53;;0.53;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM401648;MM401648;C#CC(=NO)C(CO)=NN;FJSORODNNNDJGF-UHFFFAOYSA-N;141.13;-1.24;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_P1";;;;;;;-1.06;;-3.82;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM401649;MM401649;Nc1cnc(N)c(F)c1O;OIMUFOKUJFMVAD-UHFFFAOYSA-N;143.12;0.09;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP2_SNda";;;;;;;-0.24;;-3.31;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM401650;MM401650;N#CC1ONC(=O)O1;GAEOQYGPBBBHOE-UHFFFAOYSA-N;114.06;-0.49;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP2_SP2";;;;;;;-1.34;;-8.93;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM401651;MM401651;CCC=NN=CNN;CRHJWKIPHXJUJY-UHFFFAOYSA-N;114.15;-0.13;;;;;DOPC;MDCG;27;0;"MARTINI bead: C3_P4";;;;;;;0.52;;-1.59;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM401652;MM401652;C#CC(=NO)C(CF)=NN;ILQCSIFULBJOPF-UHFFFAOYSA-N;143.12;-0.27;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_P1";;;;;;;0.04;;-2.54;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM401653;MM401653;Nc1n[nH]c(=O)c(N)c1N;HYPGURVSHJALHB-UHFFFAOYSA-N;141.13;-1.48;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP3_SP2";;;;;;;-2.2;;-5.19;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM401654;MM401654;C#CC(=CN)C(=NC)NN;NAXOOEREPUXWMG-UHFFFAOYSA-N;138.17;-1.05;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_P2";;;;;;;-0.24;;-4.42;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM401655;MM401655;Nc1n[nH]c(=O)c(O)c1N;LZFTWKIBEDLSJP-UHFFFAOYSA-N;142.12;-1.36;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP3_SP2";;;;;;;-2.2;;-5.19;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM401656;MM401656;C#CC=C(C)CC(O)CC;SNKUFIMJCKTWSS-UHFFFAOYSA-N;138.21;1.73;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda_C4";;;;;;;2.2;;0.49;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM401657;MM401657;Nc1n[nH]c(=O)c(N)c1F;FBMTXEUKPVKMER-UHFFFAOYSA-N;144.11;-0.93;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP3_SP1";;;;;;;-1.93;;-4.72;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM401658;MM401658;CC1=C(C)C(C)CCC1C;GZZBBYJSUJRPMA-UHFFFAOYSA-N;138.25;3.39;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC3_SC1";;;;;;;4.61;;0.31;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM401659;MM401659;CC#CCCC1(O)CC1C;YGGKNPQUTHOFSX-UHFFFAOYSA-N;138.21;1.56;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4_SNda";;;;;;;2.2;;0.49;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM401660;MM401660;C#CC(=NN)C(=CC)OC;PXKKNHYZNBBGSD-UHFFFAOYSA-N;138.17;0.48;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_P1";;;;;;;0.81;;-0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM401661;MM401661;C=C1CC2NC2C1=O;WBUDQAPHXCKBPA-UHFFFAOYSA-N;109.13;-0.14;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNa_SNd";;;;;;;0.87;;-1.88;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM401662;MM401662;C#CC(=NO)C(=CC)OC;VHGNUFQCLPEHOH-UHFFFAOYSA-N;139.15;1;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_P1";;;;;;;0.81;;-0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM401663;MM401663;CC1=C(C)C(F)CCC1N;QGLKOBODIGCXSC-UHFFFAOYSA-N;143.21;1.78;;;;;DOPC;MDCG;27;1;"MARTINI bead: SC5_SC4";;;;;;;2.97;;0.18;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM401664;MM401664;NC=C(C=O)C(C=O)=CN;CVJDFGZKGDQWDC-UHFFFAOYSA-N;140.14;-0.93;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_P2";;;;;;;-1.34;;-4.31;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM401665;MM401665;CC1=C(C)C(O)CCC1O;PJOXHKRSQPAMPT-UHFFFAOYSA-N;142.2;0.84;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC5_SNda";;;;;;;1.64;;0.05;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM401666;MM401666;C=CC(=NO)C(C#N)=CN;XMJBXJGKIOXTRX-UHFFFAOYSA-N;137.14;0.37;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_Nda";;;;;;;0.04;;-2.73;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM401667;MM401667;C=C1CCC(C)C(C)=C1C;FFKKVSHXQPCJEX-UHFFFAOYSA-N;136.24;3.31;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC3_SC1";;;;;;;4.61;;0.31;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM401668;MM401668;CC1=C(C)C(O)CCC1=O;NUWXUEXAMYUVGZ-UHFFFAOYSA-N;140.18;1.05;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC5_SNa";;;;;;;1.64;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM401669;MM401669;COC=CC#CC(=O)O;MOGQLHJZMMTUGA-UHFFFAOYSA-N;126.11;0.23;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_P1";;;;;;;0.81;;-5.18;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM401670;MM401670;CC1=C(N)C(C)CCC1=O;XQFRPTNKZFLNEE-UHFFFAOYSA-N;139.2;1.22;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNa_SC5";;;;;;;1.64;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM401671;MM401671;C#CC(=CF)C(C=O)=CN;HVQHQFDTQNADSM-UHFFFAOYSA-N;139.13;0.51;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_C5";;;;;;;0.54;;-1.09;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM401672;MM401672;C#CCC(=C)C(C)(C)O;GDANITGABBUJAW-UHFFFAOYSA-N;124.18;1.34;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda_C5";;;;;;;1.64;;0.05;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM401673;MM401673;C#CC(=CF)C(C#N)=CN;XQOHKHSACXRFMP-UHFFFAOYSA-N;136.13;0.84;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_C5";;;;;;;0.81;;-0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM401674;MM401674;C=C1CCC(=C)C(C)=C1C;ZEFLKOOMJAAPJC-UHFFFAOYSA-N;134.22;3.23;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC1_SC3";;;;;;;4.61;;0.31;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM401675;MM401675;C#CC(=CN)C(C=O)=NO;IIIYEQHRRCCQOY-UHFFFAOYSA-N;138.13;-0.51;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_P1";;;;;;;-0.79;;-3.13;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM401676;MM401676;C=C1CCC(=O)C(C)=C1C;NFGXBKOVZGUAER-UHFFFAOYSA-N;136.19;2.24;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC1_SNa";;;;;;;2.91;;0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM401677;MM401677;C#CCC(=O)C(=O)NOC;CXTSYKWFQCETAZ-UHFFFAOYSA-N;141.13;-0.74;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_Na";;;;;;;-0.24;;-7.88;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM401678;MM401678;C=C1CCC(=O)C(C)=C1N;NTWFGCZYLHFCDC-UHFFFAOYSA-N;137.18;1.14;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC5_SNa";;;;;;;1.64;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM401679;MM401679;C#CC(=CF)C(C#C)=NN;SLONSWUUTZEEOF-UHFFFAOYSA-N;136.13;0.42;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_C5";;;;;;;0.81;;-0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM401680;MM401680;Cc1c(N)n[nH]c(=O)c1C;UXJHRQTYVPGXCK-UHFFFAOYSA-N;139.16;-0.03;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP3_SP1";;;;;;;-1.93;;-4.72;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM401681;MM401681;CCC(CN)=C(CN)CF;WGXGZAFOTSTWBE-UHFFFAOYSA-N;146.21;0.58;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nda_P2";;;;;;;-0.24;;-5.79;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM401682;MM401682;Cc1c(N)n[nH]c(=O)c1N;NZFVAHVKQMAWGR-UHFFFAOYSA-N;140.15;-0.76;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP3_SP1";;;;;;;-1.93;;-4.72;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM401683;MM401683;NCC(CO)=C(CO)CO;GAWGLGFSMYCQND-UHFFFAOYSA-N;147.17;-1.78;;;;;DOPC;MDCG;27;1;"MARTINI bead: P2_P3";;;;;;;-2.2;;-6.45;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM401684;MM401684;Cc1c(F)c(N)n[nH]c1=O;LGILRAPROBAPCU-UHFFFAOYSA-N;143.12;-0.2;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNa_SP3";;;;;;;-1.1;;-4.2;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM401685;MM401685;CCC(OC)=C(CN)OC;DOASMYPGYJDZEP-UHFFFAOYSA-N;145.2;0.86;;;;;DOPC;MDCG;27;1;"MARTINI bead: C5_P2";;;;;;;0.54;;-2.45;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM401686;MM401686;Cc1c(C)n(C)ccc1=O;QOJBCQGCQPENSV-UHFFFAOYSA-N;137.18;1;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC5_SP1";;;;;;;0.81;;-0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM401687;MM401687;CCC(OC)=C(CO)OC;LVRDTIMCCKXLHP-UHFFFAOYSA-N;146.19;0.89;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_P1";;;;;;;0.81;;-0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM401688;MM401688;Cc1c(C)n(N)ccc1=O;QGHMKWQIVCCTRN-UHFFFAOYSA-N;138.17;0.18;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC5_SP2";;;;;;;0.54;;-1.09;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM401689;MM401689;COC(CN)=C(CF)OC;RFZIETUWQXZXAH-UHFFFAOYSA-N;149.17;0.42;;;;;DOPC;MDCG;27;1;"MARTINI bead: P2_Na";;;;;;;-0.24;;-4.6;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM401690;MM401690;Cc1c(C)n(O)ccc1=O;UQMJFZQJQRCCBI-UHFFFAOYSA-N;139.15;0.7;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC5_SP2";;;;;;;0.54;;-1.09;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM401691;MM401691;COC(CF)=C(CF)OC;FZJJMGVLVVIDGC-UHFFFAOYSA-N;152.14;1.43;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_Na";;;;;;;0.87;;-2.22;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM401692;MM401692;Cc1c(N)c(=O)ccn1C;PSPWBMGOUAQYRR-UHFFFAOYSA-N;138.17;0.28;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNd_SP1";;;;;;;0.04;;-2.63;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM401693;MM401693;CCC(CC)=C(C#N)CO;XTFASALFYQVXPT-UHFFFAOYSA-N;139.2;1.62;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_Nda";;;;;;;1.64;;0.05;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM401694;MM401694;Cc1c(N)c(=O)ccn1N;JVBBLJTVJYCVND-UHFFFAOYSA-N;139.16;-0.55;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNd_SP2";;;;;;;-0.24;;-3.16;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM401695;MM401695;C=CC(CO)=C(CO)CO;WWNZTFZDPPJHPJ-UHFFFAOYSA-N;144.17;-0.55;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda_P3";;;;;;;-1.1;;-3.97;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM401696;MM401696;Cc1c(N)c(=O)ccn1O;PAWBXBQWMDDCFN-UHFFFAOYSA-N;140.14;-0.02;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNd_SP2";;;;;;;-0.24;;-3.16;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM401697;MM401697;O=CC(CO)=C(CO)CO;BPUOPBTZLSNZAF-UHFFFAOYSA-N;146.14;-1.54;;;;;DOPC;MDCG;27;0;"MARTINI bead: P3_P2";;;;;;;-2.2;;-5.19;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM401698;MM401698;C=CC(C)C1CC1(C)O;XWRCXKLMCTXETP-UHFFFAOYSA-N;126.2;1.58;;;;;DOPC;MDCG;27;0;"MARTINI bead: C3_SNda";;;;;;;2.57;;0.44;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM401699;MM401699;C=CC(OC)=C(CO)CO;HBTUNVQOHPUDJB-UHFFFAOYSA-N;144.17;0.06;;;;;DOPC;MDCG;27;0;"MARTINI bead: N0_P2";;;;;;;0.06;;-2.21;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM401700;MM401700;Cc1c(O)c(=O)ccn1O;GBRIZXCGMOHIAD-UHFFFAOYSA-N;141.13;0.1;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNda_SP2";;;;;;;-0.24;;-3.31;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM401701;MM401701;CNC(CO)=C(C=O)CO;IMJDYGHAZSYLBY-UHFFFAOYSA-N;145.16;-1.36;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_P2";;;;;;;-1.34;;-4.31;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM401702;MM401702;Cc1c(F)c(=O)ccn1C;JNQPRXFNSZSFBL-UHFFFAOYSA-N;141.15;0.83;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNa_SP1";;;;;;;0.04;;-2.54;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM401703;MM401703;CNC(CO)=C(C#N)CO;PGJVRHVOEWEWDG-UHFFFAOYSA-N;142.16;-1.03;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_P2";;;;;;;-1.34;;-4.31;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM401704;MM401704;Cc1c(F)c(=O)ccn1N;LNSQTYNCRKHHBY-UHFFFAOYSA-N;142.13;0.01;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNa_SP2";;;;;;;-0.24;;-3.24;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM401705;MM401705;CNC(CO)=C(C#N)CF;HQGOHMHOFVEFDQ-UHFFFAOYSA-N;144.15;-0.05;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_Na";;;;;;;-0.24;;-3.24;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM401706;MM401706;Cc1c(F)c(=O)ccn1O;AVSFXUWGHCYSCE-UHFFFAOYSA-N;143.12;0.53;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNa_SP2";;;;;;;-0.24;;-3.24;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM401707;MM401707;CNC(CF)=C(C#N)CO;HRBPDOHNKYYTJF-UHFFFAOYSA-N;144.15;-0.05;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_P2";;;;;;;-0.24;;-3.24;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM401708;MM401708;Cc1c(N)n(C)ccc1=O;NVFVKTMGWWIBLX-UHFFFAOYSA-N;138.17;0.28;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNd_SP1";;;;;;;0.04;;-2.63;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM401709;MM401709;CNC(CO)=C(C=O)OC;LTQKLXCUFJVLNV-UHFFFAOYSA-N;145.16;-0.75;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_P1";;;;;;;-1.06;;-3.82;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM401710;MM401710;Cc1c(N)n(N)ccc1=O;PMOQMHHVHQYKIT-UHFFFAOYSA-N;139.16;-0.55;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNd_SP2";;;;;;;-0.24;;-3.16;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM401711;MM401711;C=CC(CF)=C(CN)OC;YDXSLPDJOURRQL-UHFFFAOYSA-N;145.18;1;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1_N0";;;;;;;0.34;;-2.96;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM401712;MM401712;Cc1c(N)n(O)ccc1=O;OKYHSGVAXYVVTA-UHFFFAOYSA-N;140.14;-0.02;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNd_SP2";;;;;;;-0.24;;-3.16;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM401713;MM401713;COC(CO)=C(C=O)CO;JUYHDCGOXJSPET-UHFFFAOYSA-N;146.14;-0.93;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_P2";;;;;;;-1.06;;-3.82;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM401714;MM401714;Cn1ccc(=O)c(N)c1N;MBQNRYMLBBOYFB-UHFFFAOYSA-N;139.16;-0.45;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP1_SP1";;;;;;;-0.79;;-3.13;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM401715;MM401715;COC(CO)=C(C#N)CO;MKBVNGSIQBLXLD-UHFFFAOYSA-N;143.14;-0.6;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_P2";;;;;;;-1.06;;-3.82;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM401716;MM401716;Nc1c(N)n(N)ccc1=O;PAZZMPDEGQZCRE-UHFFFAOYSA-N;140.15;-1.27;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP1_SP2";;;;;;;-1.06;;-3.82;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM401717;MM401717;COC(CO)=C(C=O)CF;LDMKCODVTAJSDZ-UHFFFAOYSA-N;148.13;0.05;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda_P2";;;;;;;-0.24;;-3.31;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM401718;MM401718;Nc1c(N)n(O)ccc1=O;YGLRBPKTORLSSB-UHFFFAOYSA-N;141.13;-0.75;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP1_SP2";;;;;;;-1.06;;-3.82;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM401719;MM401719;COC(CF)=C(C=O)CO;NKICNOZDANSMMF-UHFFFAOYSA-N;148.13;0.05;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda_P2";;;;;;;-0.24;;-3.31;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM401720;MM401720;Cn1ccc(=O)c(O)c1N;MMFLMLAYVPUDPR-UHFFFAOYSA-N;140.14;-0.33;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP1_SP1";;;;;;;-0.79;;-3.13;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM401721;MM401721;COC(CF)=C(C#N)CO;LFHROXWKKPXOTL-UHFFFAOYSA-N;145.13;0.37;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda_P2";;;;;;;-0.24;;-3.31;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM401722;MM401722;C=C1CCC(C)(CO)C1;VRTNGWRHUOUNEF-UHFFFAOYSA-N;126.2;1.73;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC5_SC4";;;;;;;2.97;;0.45;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM401723;MM401723;CCC(OC)=C(C=O)OC;GIKNQJGKBBXJEW-UHFFFAOYSA-N;144.17;1.1;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4_P2";;;;;;;1.09;;-0.38;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM401724;MM401724;Nc1c(O)c(=O)ccn1O;LYGSTLCXLOVHPH-UHFFFAOYSA-N;142.11;-0.63;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP1_SP2";;;;;;;-1.06;;-3.82;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM401725;MM401725;C=CC(OC)=C(CO)OC;FJXSEWATXAASMO-UHFFFAOYSA-N;144.17;0.67;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_N0";;;;;;;0.34;;-1.53;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM401726;MM401726;Cn1ccc(=O)c(F)c1N;UCQPMWCYIAVCRY-UHFFFAOYSA-N;142.13;0.11;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP1_SNda";;;;;;;0.04;;-2.73;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM401727;MM401727;COC(C#N)=C(CF)OC;NPSVGQIRQHQECW-UHFFFAOYSA-N;145.13;0.98;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_Na";;;;;;;0.87;;-2.22;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM401728;MM401728;Nc1c(F)c(=O)ccn1N;MAWPZEWJFMVQDE-UHFFFAOYSA-N;143.12;-0.72;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNda_SP2";;;;;;;-0.24;;-3.31;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM401729;MM401729;CNC(NC)=C(C=O)CO;KDKNHKGVGQXQNX-UHFFFAOYSA-N;144.17;-1.17;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_P2";;;;;;;-1.34;;-4.31;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM401730;MM401730;Nc1c(F)c(=O)ccn1O;KCRDTTJNOMWIEU-UHFFFAOYSA-N;144.11;-0.19;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNda_SP2";;;;;;;-0.24;;-3.31;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM401731;MM401731;CNC(NC)=C(C=O)OC;OBBTWFPVXKQSJN-UHFFFAOYSA-N;144.17;-0.56;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda_P2";;;;;;;-0.24;;-3.31;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM401732;MM401732;Cn1ccc(=O)c(N)c1O;WLBZOGHCMAQTDL-UHFFFAOYSA-N;140.14;-0.33;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP1_SP1";;;;;;;-0.79;;-3.13;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM401733;MM401733;CNC(OC)=C(C=O)CO;PZLSVGWGADBBIC-UHFFFAOYSA-N;145.16;-0.75;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_P2";;;;;;;-1.06;;-3.82;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM401734;MM401734;Nc1c(O)n(O)ccc1=O;OOQLSOZFPRZHDI-UHFFFAOYSA-N;142.11;-0.63;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP1_SP2";;;;;;;-1.06;;-3.82;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM401735;MM401735;C#CC(CO)=C(CO)CO;RORNVTZPCZBFNA-UHFFFAOYSA-N;142.15;-1.11;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_P3";;;;;;;-1.93;;-4.72;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM401736;MM401736;CCn1onc(O)c1=O;CAZTZMHELZOLHX-UHFFFAOYSA-N;130.1;-0.44;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP2_SP1";;;;;;;-1.06;;-8.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM401737;MM401737;C#CC(OC)=C(CC)CO;DGDUVRZADXJKFK-UHFFFAOYSA-N;140.18;0.92;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda_Na";;;;;;;0.87;;-1.99;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM401738;MM401738;N#CC(=NO)C(CF)=NO;RXOHELCABOVTHG-UHFFFAOYSA-N;145.09;0.14;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_P2";;;;;;;-0.24;;-7.5;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM401739;MM401739;C#CC(CO)=C(CC)OC;ZJTTZJOIGNYGEZ-UHFFFAOYSA-N;140.18;0.92;;;;;DOPC;MDCG;27;0;"MARTINI bead: C3_P3";;;;;;;0.6;;-0.8;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM401740;MM401740;Cc1c(F)n(C)ccc1=O;WBLFYPBURZNQOE-UHFFFAOYSA-N;141.15;0.83;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNa_SP1";;;;;;;0.04;;-2.54;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM401741;MM401741;C#CC(CO)=C(CN)OC;IDHFMBJUDLWLHI-UHFFFAOYSA-N;141.17;-0.53;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nda_P3";;;;;;;-1.1;;-5.08;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM401742;MM401742;Cc1c(F)n(N)ccc1=O;UGBAZUSYQKNHMW-UHFFFAOYSA-N;142.13;0.01;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNa_SP2";;;;;;;-0.24;;-3.24;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM401743;MM401743;C#CC(OC)=C(CF)OC;UBLQFEUMIJHGOD-UHFFFAOYSA-N;144.15;1.09;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_Na";;;;;;;0.87;;-2.22;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM401744;MM401744;Cc1c(F)n(O)ccc1=O;AQZBFAXIACWQSN-UHFFFAOYSA-N;143.12;0.53;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNa_SP2";;;;;;;-0.24;;-3.24;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM401745;MM401745;O=CC(C=O)=C(CO)CO;ZEANJEKNGWIKFM-UHFFFAOYSA-N;144.13;-1.33;;;;;DOPC;MDCG;27;0;"MARTINI bead: P3_Na";;;;;;;-1.1;;-4.2;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM401746;MM401746;Cn1ccc(=O)c(N)c1F;ARIHQGXTSZGSHB-UHFFFAOYSA-N;142.13;0.11;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP1_SNda";;;;;;;0.04;;-2.73;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM401747;MM401747;N#CC(C=O)=C(CO)CO;NPLORVHQWSGCGR-UHFFFAOYSA-N;141.13;-1.01;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_P2";;;;;;;-1.34;;-4.31;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM401748;MM401748;Nc1c(F)n(N)ccc1=O;KBLPIBRMZFNYCY-UHFFFAOYSA-N;143.12;-0.72;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNda_SP2";;;;;;;-0.24;;-3.31;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM401749;MM401749;C=CC(C=O)=C(CO)CF;YLEXCKZBNAVMOH-UHFFFAOYSA-N;144.15;0.63;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_N0";;;;;;;0.34;;-1.53;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM401750;MM401750;Nc1c(F)n(O)ccc1=O;XZRFSBDHAYQCBK-UHFFFAOYSA-N;144.11;-0.19;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNda_SP2";;;;;;;-0.24;;-3.31;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM401751;MM401751;CNC(CO)=C(C=O)C=O;WBOXXPVSODAWND-UHFFFAOYSA-N;143.14;-1.15;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_Na";;;;;;;-0.24;;-3.24;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM401752;MM401752;Cn1ccc(=O)c(O)c1F;MLAOOSRHRBRHIZ-UHFFFAOYSA-N;143.12;0.23;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP1_SNda";;;;;;;0.04;;-2.73;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM401753;MM401753;C=CC(C=C)=C(CO)OC;YBBNRXMVOMBDLG-UHFFFAOYSA-N;140.18;1.25;;;;;DOPC;MDCG;27;0;"MARTINI bead: P3_C2";;;;;;;0.86;;-0.3;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM401754;MM401754;Nn1ccc(=O)c(O)c1F;STUJYFFXVYHBPV-UHFFFAOYSA-N;144.11;-0.59;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP2_SNda";;;;;;;-0.24;;-3.31;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM401755;MM401755;COC(CO)=C(C#N)C=O;GVGMIPCFQSCSLW-UHFFFAOYSA-N;141.13;-0.4;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_Na";;;;;;;-0.24;;-3.24;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM401756;MM401756;Nn1ccc(=O)c(F)c1F;ZEQXNBZNQUJOFQ-UHFFFAOYSA-N;146.1;-0.16;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP2_SNa";;;;;;;-0.24;;-3.24;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM401757;MM401757;COC(CF)=C(C#N)C#N;CKXQGPLMYMFNQZ-UHFFFAOYSA-N;140.12;0.9;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_Na";;;;;;;0.87;;-2.22;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM401758;MM401758;O=c1ccn(O)c(F)c1F;QQAUHRFFTWCZGZ-UHFFFAOYSA-N;147.08;0.36;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP2_SNa";;;;;;;-0.24;;-3.24;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM401759;MM401759;CNC(NC)=C(C=O)C=O;QNBMKWNYCYIZNU-UHFFFAOYSA-N;142.16;-0.97;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_Na";;;;;;;-0.24;;-3.24;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM401760;MM401760;Cc1c(C)n(C)cnc1=N;YICIXSINPLSCCF-UHFFFAOYSA-N;137.19;0.52;;;;;DOPC;MDCG;27;1;"MARTINI bead: SN0_SP2";;;;;;;0.06;;-4.69;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM401761;MM401761;CNC(NC)=C(C#N)C=O;GNCYDBLPKXEWMZ-UHFFFAOYSA-N;139.16;-0.64;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nd_P2";;;;;;;-0.24;;-3.16;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM401762;MM401762;Cc1c(C)n(C)cnc1=O;BXKMYUXBTYJIDX-UHFFFAOYSA-N;138.17;0.4;;;;;DOPC;MDCG;27;0;"MARTINI bead: SN0_SP2";;;;;;;0.06;;-2.21;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM401763;MM401763;C#CC(C=C)=C(CN)CN;UTUUHEZUKBEETL-UHFFFAOYSA-N;136.2;0.02;;;;;DOPC;MDCG;27;1;"MARTINI bead: P3_C5";;;;;;;-0.33;;-4.14;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM401764;MM401764;Cc1c(C)n(N)cnc1=N;PIVYWIGPSFYKPI-UHFFFAOYSA-N;138.17;-0.31;;;;;DOPC;MDCG;27;1;"MARTINI bead: SN0_SP3";;;;;;;-0.8;;-4.45;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM401765;MM401765;C#CC(C=C)=C(CN)CO;MFROKEFYAJRNPD-UHFFFAOYSA-N;137.18;0.05;;;;;DOPC;MDCG;27;1;"MARTINI bead: P2_Nda";;;;;;;-0.24;;-5.14;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM401766;MM401766;Cc1c(C)n(N)cnc1=O;HOLJUUSYHLXZDL-UHFFFAOYSA-N;139.16;-0.43;;;;;DOPC;MDCG;27;0;"MARTINI bead: SN0_SP3";;;;;;;-0.8;;-2.99;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM401767;MM401767;C#CC(C=O)=C(CO)CO;DUSBOJZHVKOYHZ-UHFFFAOYSA-N;140.14;-0.9;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_P2";;;;;;;-1.06;;-3.82;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM401768;MM401768;Cc1c(C)n(O)cnc1=O;SHQIUEVKTZGKFS-UHFFFAOYSA-N;140.14;0.1;;;;;DOPC;MDCG;27;0;"MARTINI bead: SN0_SP3";;;;;;;-0.8;;-2.99;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM401769;MM401769;C#CC(C#N)=C(CO)CO;CNWLBDCOXHTGEM-UHFFFAOYSA-N;137.14;-0.58;;;;;DOPC;MDCG;27;0;"MARTINI bead: P3_N0";;;;;;;-0.8;;-2.99;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM401770;MM401770;Cc1c(N)c(=N)ncn1C;CCXVXVKIARQXNN-UHFFFAOYSA-N;138.17;-0.21;;;;;DOPC;MDCG;27;1;"MARTINI bead: SNd_SP2";;;;;;;-0.24;;-5.67;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM401771;MM401771;C=C1C(C)=CC(C)CC1O;SMJFAWJDPMVKGX-UHFFFAOYSA-N;138.21;1.89;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC3_SC5";;;;;;;3.34;;0.48;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM401772;MM401772;CC(=O)CC1(C#N)CN1;KMZXMPUKTNBVMZ-UHFFFAOYSA-N;124.14;-0.17;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_SP2";;;;;;;-1.06;;-3.82;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM401773;MM401773;C#CC(C#N)=C(CC)OC;VSRHJIPLMVFDFK-UHFFFAOYSA-N;135.17;1.45;;;;;DOPC;MDCG;27;0;"MARTINI bead: C3_P2";;;;;;;1.46;;-0.15;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM401774;MM401774;Cc1c(N)c(=N)ncn1N;AGGDGVMYQFDLQV-UHFFFAOYSA-N;139.16;-1.03;;;;;DOPC;MDCG;27;1;"MARTINI bead: SNd_SP3";;;;;;;-1.1;;-5.46;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM401775;MM401775;C#CC(C=O)=C(CO)OC;VTWDVDXKCWNJJC-UHFFFAOYSA-N;140.14;-0.29;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda_P2";;;;;;;-0.24;;-3.31;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM401776;MM401776;CC(C)C=NN=CNN;OAAXJAHFBAYBSA-UHFFFAOYSA-N;128.18;0.12;;;;;DOPC;MDCG;27;0;"MARTINI bead: C3_P4";;;;;;;0.52;;-1.59;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM401777;MM401777;C#CC(C=O)=C(CF)OC;CLLCXANHYSEARA-UHFFFAOYSA-N;142.13;0.69;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_P2";;;;;;;0.54;;-1.09;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM401778;MM401778;Cc1c(N)c(=O)ncn1O;FUKPHHKJSCIGCC-UHFFFAOYSA-N;141.13;-0.63;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNd_SP3";;;;;;;-1.1;;-3.93;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM401779;MM401779;C#CC(C#N)=C(CF)OC;QZJZDFKKWUBUCM-UHFFFAOYSA-N;139.13;1.01;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_Na";;;;;;;0.87;;-2.22;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM401780;MM401780;Cc1c(O)c(=O)ncn1N;DKGNHCSEAJYMKC-UHFFFAOYSA-N;141.13;-1.03;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNda_SP3";;;;;;;-1.1;;-3.97;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM401781;MM401781;C#CC(C=O)=C(NC)NC;CCYLHZVAMBCIJC-UHFFFAOYSA-N;138.17;-0.53;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_Nda";;;;;;;-0.24;;-3.31;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM401782;MM401782;Cc1c(F)c(=O)ncn1C;DZIQYMXKLYCLKZ-UHFFFAOYSA-N;142.13;0.23;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNa_SP2";;;;;;;-0.24;;-3.24;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM401783;MM401783;C#CC(C#C)=C(CC)CN;XNTPNNSZRUTPIY-UHFFFAOYSA-N;133.19;0.92;;;;;DOPC;MDCG;27;1;"MARTINI bead: P2_C4";;;;;;;1.09;;-2.51;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM401784;MM401784;Cc1c(F)c(=N)ncn1N;SFVWETSOJIANFS-UHFFFAOYSA-N;142.14;-0.48;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNa_SP3";;;;;;;-1.1;;-4.2;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM401785;MM401785;C#CC(C#C)=C(CN)CO;SNQSFUHQOWXZER-UHFFFAOYSA-N;135.17;-0.5;;;;;DOPC;MDCG;27;1;"MARTINI bead: P2_Nda";;;;;;;-0.24;;-5.12;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM401786;MM401786;Cc1c(F)c(=O)ncn1N;SUAXGFSVLBDZOC-UHFFFAOYSA-N;143.12;-0.6;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNa_SP3";;;;;;;-1.1;;-4.2;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM401787;MM401787;C#CC(C#C)=C(CN)CF;UJXSEXDSMOWPCZ-UHFFFAOYSA-N;137.16;0.48;;;;;DOPC;MDCG;27;1;"MARTINI bead: P2_C5";;;;;;;0.54;;-3.17;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM401788;MM401788;C=CC=CC(C)C(C)O;WVJQMLTTXRTMOI-UHFFFAOYSA-N;126.2;1.75;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_C1";;;;;;;2.08;;0.48;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM401789;MM401789;C#CC(C#C)=C(CO)CF;QHOFJAGJPGABLZ-UHFFFAOYSA-N;138.14;0.51;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_Nda";;;;;;;0.87;;-1.99;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM401790;MM401790;Cc1c(F)c(=O)ncn1O;QFIUOFCTWQFBFP-UHFFFAOYSA-N;144.11;-0.07;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNa_SP3";;;;;;;-1.1;;-4.2;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM401791;MM401791;CCC(C=O)=C(C=O)CC;KXWMXWYEVYZTCO-UHFFFAOYSA-N;140.18;1.5;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_C3";;;;;;;1.46;;-0.15;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM401792;MM401792;Cc1c(N)n(C)cnc1=N;KKXNUGLJMAOBPF-UHFFFAOYSA-N;138.17;-0.21;;;;;DOPC;MDCG;27;1;"MARTINI bead: SNd_SP2";;;;;;;-0.24;;-6.35;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM401793;MM401793;C=CC(CO)=C(C=C)CO;UQQONPIPGKKEJV-UHFFFAOYSA-N;140.18;0.64;;;;;DOPC;MDCG;27;0;"MARTINI bead: P3_C4";;;;;;;0.23;;-1.03;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM401794;MM401794;Cc1c(N)n(C)cnc1=O;SMNPZTFBYKELIW-UHFFFAOYSA-N;139.16;-0.33;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNd_SP2";;;;;;;-0.24;;-3.16;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM401795;MM401795;C=CC(CO)=C(C#N)CO;QURKKAGGHCKASG-UHFFFAOYSA-N;139.15;-0.02;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda_P2";;;;;;;-0.24;;-3.31;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM401796;MM401796;Cc1c(N)n(N)cnc1=N;RSSHHBOKIWDRTO-UHFFFAOYSA-N;139.16;-1.03;;;;;DOPC;MDCG;27;1;"MARTINI bead: SNd_SP3";;;;;;;-1.1;;-6.32;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM401797;MM401797;O=CC(CO)=C(C=O)CO;IWHPNOYWCPDRJT-UHFFFAOYSA-N;144.13;-1.33;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_P2";;;;;;;-1.34;;-4.31;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM401798;MM401798;Cc1c(N)n(N)cnc1=O;LFAIELYQEGNXRP-UHFFFAOYSA-N;140.15;-1.15;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNd_SP3";;;;;;;-1.1;;-3.93;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM401799;MM401799;N#CC(CO)=C(C=O)CO;YJRYREJUWBRVPK-UHFFFAOYSA-N;141.13;-1.01;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_P2";;;;;;;-1.34;;-4.31;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM401800;MM401800;Cc1c(N)n(O)cnc1=O;CZAVNOCOJVYXNH-UHFFFAOYSA-N;141.13;-0.63;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNd_SP3";;;;;;;-1.1;;-3.93;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM401801;MM401801;N#CC(CO)=C(C#N)CO;ORPIIDHBIBGPCP-UHFFFAOYSA-N;138.13;-0.69;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_P2";;;;;;;-1.34;;-4.31;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM401802;MM401802;Cn1cnc(=N)c(N)c1N;DPSXNLVBNVMJBL-UHFFFAOYSA-N;139.16;-0.94;;;;;DOPC;MDCG;27;1;"MARTINI bead: SP2_SP1";;;;;;;-1.06;;-7.13;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM401803;MM401803;C=CC(CF)=C(C=O)CO;OTTRSINBRDVHFH-UHFFFAOYSA-N;144.15;0.63;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_N0";;;;;;;0.34;;-1.53;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM401804;MM401804;CC(O)C(C)C=CC=O;RBIKHCJOXIUNOX-UHFFFAOYSA-N;128.17;0.76;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_C5";;;;;;;0.81;;-0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM401805;MM401805;C=CC(CO)=C(C#N)OC;YRZFECVHQNSAGD-UHFFFAOYSA-N;139.15;0.59;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_N0";;;;;;;0.34;;-1.53;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM401806;MM401806;N=c1ncn(N)c(N)c1N;FHYVYDVRBDQLDM-UHFFFAOYSA-N;140.15;-1.76;;;;;DOPC;MDCG;27;1;"MARTINI bead: SP1_SP3";;;;;;;-1.93;;-7.23;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM401807;MM401807;C=CC(OC)=C(C#N)CO;FZXHFFUJHALDST-UHFFFAOYSA-N;139.15;0.59;;;;;DOPC;MDCG;27;0;"MARTINI bead: N0_P1";;;;;;;0.34;;-1.53;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM401808;MM401808;C=CC=CCC(O)CC;MNZVNPXBJGMTLY-UHFFFAOYSA-N;126.2;1.89;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda_C1";;;;;;;2.91;;0.57;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM401809;MM401809;COC(C#N)=C(C#N)CF;YIFQXQXECYRKFM-UHFFFAOYSA-N;140.12;0.9;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_Na";;;;;;;0.87;;-2.22;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM401810;MM401810;Nc1c(N)n(O)cnc1=O;CXGYNQQHSUDQBA-UHFFFAOYSA-N;142.12;-1.36;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP1_SP3";;;;;;;-1.93;;-4.72;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM401811;MM401811;CNC(C=O)=C(C=O)NC;DYDJADCKDNXIOW-UHFFFAOYSA-N;142.16;-0.97;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda_P2";;;;;;;-0.24;;-3.31;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM401812;MM401812;Cn1cnc(=N)c(O)c1N;VLZIANOPCXZRDW-UHFFFAOYSA-N;140.15;-0.81;;;;;DOPC;MDCG;27;1;"MARTINI bead: SP2_SP1";;;;;;;-1.06;;-5.01;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM401813;MM401813;CCN=c1cnoc(N)n1;DQJIGYNWNSMTSU-UHFFFAOYSA-N;140.15;-0.43;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP3_SP2";;;;;;;-2.2;;-5.19;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM401814;MM401814;Cn1cnc(=O)c(O)c1N;PYEDJNLSRDESHA-UHFFFAOYSA-N;141.13;-0.93;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP2_SP1";;;;;;;-1.06;;-3.82;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM401815;MM401815;C=CC(OC)=C(C=C)OC;SAWKEIYWBLUGDX-UHFFFAOYSA-N;140.18;1.86;;;;;DOPC;MDCG;27;0;"MARTINI bead: N0_C5";;;;;;;1.94;;0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM401816;MM401816;CCC(O)CC=CC=O;NWAIOHPZEQWKOQ-UHFFFAOYSA-N;128.17;0.9;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda_Na";;;;;;;0.87;;-1.99;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM401817;MM401817;C=CC(OC)=C(C=O)OC;SSBVPXITMUYVNF-UHFFFAOYSA-N;142.15;0.88;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_P2";;;;;;;0.54;;-1.09;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM401818;MM401818;C=NOC(C)C(=O)CC;RMBVZBNSXWFMAT-UHFFFAOYSA-N;129.16;0.99;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_Na";;;;;;;0.87;;-2.22;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM401819;MM401819;C=CC(OC)=C(C#N)OC;GRSKNAWGCMPQMS-UHFFFAOYSA-N;139.15;1.2;;;;;DOPC;MDCG;27;0;"MARTINI bead: N0_Na";;;;;;;1.17;;-1.18;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM401820;MM401820;Nc1c(O)c(=O)ncn1O;DSQLXMGZPXMGBH-UHFFFAOYSA-N;143.1;-1.23;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP1_SP3";;;;;;;-1.93;;-4.72;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM401821;MM401821;C#CC(CO)=C(C=C)CC;XIDMZCKGCYRONT-UHFFFAOYSA-N;136.19;1.5;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1_P3";;;;;;;0.94;;0.03;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM401822;MM401822;Cn1cnc(=O)c(F)c1N;KWSKTILTFDSGFQ-UHFFFAOYSA-N;143.12;-0.5;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP2_SP1";;;;;;;-1.06;;-3.82;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM401823;MM401823;C#CC(CO)=C(C=C)CN;COEIZDHHAOVBIB-UHFFFAOYSA-N;137.18;0.05;;;;;DOPC;MDCG;27;1;"MARTINI bead: P2_Nda";;;;;;;-0.24;;-5.18;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM401824;MM401824;CCOC(CF)=NNC;WCAIJNTYHWYKPB-UHFFFAOYSA-N;134.15;0.53;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_P2";;;;;;;0.54;;-1.09;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM401825;MM401825;C#CC(CF)=C(C=O)CO;OUCRWKIWBHDXSI-UHFFFAOYSA-N;142.13;0.08;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_Nda";;;;;;;-0.24;;-3.31;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM401826;MM401826;C=C1CC(O)CCC1C;DKSBNVIURGOGEE-UHFFFAOYSA-N;126.2;1.72;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC2_SNda";;;;;;;2.83;;0.57;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM401827;MM401827;C#CC(CO)=C(C=O)CF;CVIMAWFRGWSDTK-UHFFFAOYSA-N;142.13;0.08;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda_P2";;;;;;;-0.24;;-3.31;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM401828;MM401828;Nc1c(F)c(=O)ncn1O;CZQVCQXINPWYAS-UHFFFAOYSA-N;145.09;-0.8;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP1_SP3";;;;;;;-1.93;;-4.72;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM401829;MM401829;C#CC(NC)=C(C#N)CF;SDXIJDUAPYUJGG-UHFFFAOYSA-N;138.15;0.59;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nd_Na";;;;;;;0.87;;-1.88;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM401830;MM401830;Oc1cc(O)on1;PNICOKLUBCGUPE-UHFFFAOYSA-N;101.06;0.09;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNda_SNda";;;;;;;0.87;;-6.39;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM401831;MM401831;C#CC(OC)=C(C=O)CO;YAKKVEQHTVXPQF-UHFFFAOYSA-N;140.14;-0.29;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda_P2";;;;;;;-0.24;;-3.31;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM401832;MM401832;Cn1cnc(=O)c(N)c1O;OYUOZWYMOSALSQ-UHFFFAOYSA-N;141.13;-0.93;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP2_SP1";;;;;;;-1.06;;-3.82;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM401833;MM401833;C#CC(OC)=C(C=O)CF;PZPAXDAFMOLMNW-UHFFFAOYSA-N;142.13;0.69;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_P2";;;;;;;0.54;;-1.09;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM401834;MM401834;Nc1c(O)n(N)cnc1=O;NVHUUGGDQWGLHJ-UHFFFAOYSA-N;142.12;-1.76;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP1_SP3";;;;;;;-1.93;;-4.72;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM401835;MM401835;C#CC(OC)=C(C#N)CF;ZPMWNAXWPMURRJ-UHFFFAOYSA-N;139.13;1.01;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_Na";;;;;;;0.87;;-2.22;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM401836;MM401836;N=c1ncn(O)c(O)c1N;SEFOJRPGMKDHRE-UHFFFAOYSA-N;142.12;-1.11;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP1_SP2";;;;;;;-1.06;;-3.82;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM401837;MM401837;C#CC(CN)=C(C=C)OC;XLZGSHPEMJTGLG-UHFFFAOYSA-N;137.18;0.66;;;;;DOPC;MDCG;27;1;"MARTINI bead: C5_P2";;;;;;;0.54;;-2.73;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM401838;MM401838;CC(=NO)C(=NO)C(=O)O;GMNWKAFPRGKROJ-UHFFFAOYSA-N;146.1;-0.25;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_P1";;;;;;;-0.79;;-7.44;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM401839;MM401839;C#CC(CO)=C(C=C)OC;JYBNRQJAKVSVIV-UHFFFAOYSA-N;138.17;0.7;;;;;DOPC;MDCG;27;0;"MARTINI bead: N0_Nda";;;;;;;1.17;;-1.13;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM401840;MM401840;N#CCc1cc(O)on1;SZWSTYQURIBGGP-UHFFFAOYSA-N;124.1;0.45;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNda_SNa";;;;;;;0.87;;-6.32;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM401841;MM401841;C#CC(CO)=C(C=O)OC;VELGFCHOXYFRKR-UHFFFAOYSA-N;140.14;-0.29;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_Nda";;;;;;;-0.24;;-3.31;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM401842;MM401842;CN=c1nncc(O)o1;WEOKQYYWEKCIBV-UHFFFAOYSA-N;127.1;-0.69;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP2_SP3";;;;;;;-2.2;;-9.22;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM401843;MM401843;C#CC(CO)=C(C#N)OC;OFFQXGRZOQSZJK-UHFFFAOYSA-N;137.14;0.04;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_Nda";;;;;;;0.04;;-2.73;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM401844;MM401844;Cn1[nH]nnc1=NO;FYOSWWSIPUVDCP-UHFFFAOYSA-N;115.1;-1.57;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP1_SP3";;;;;;;-1.93;;-8.71;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM401845;MM401845;C#CC(OC)=C(C=C)OC;SFMRMGNKTHBCHW-UHFFFAOYSA-N;138.17;1.31;;;;;DOPC;MDCG;27;0;"MARTINI bead: N0_Na";;;;;;;1.17;;-1.18;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM401846;MM401846;C=Cc1cc(O)[nH]n1;YGIAGQVZKYAVCD-UHFFFAOYSA-N;110.12;0.76;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP1_SNda";;;;;;;0.04;;-7.02;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM401847;MM401847;C=CC(CO)=C(C#N)C#N;JFCSRHRUNZPLQP-UHFFFAOYSA-N;134.14;0.51;;;;;DOPC;MDCG;27;0;"MARTINI bead: N0_P1";;;;;;;0.34;;-1.53;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM401848;MM401848;Cc1c(F)n(C)cnc1=N;UGZDGMIRYCPDHP-UHFFFAOYSA-N;141.15;0.35;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNa_SP2";;;;;;;-0.24;;-3.24;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM401849;MM401849;C=CC(C#N)=C(C=O)CO;OURFNQIICOQBLX-UHFFFAOYSA-N;137.14;0.18;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_Nda";;;;;;;-0.24;;-3.31;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM401850;MM401850;Cc1c(F)n(C)cnc1=O;ORXXQRKWFIMYIL-UHFFFAOYSA-N;142.13;0.23;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNa_SP2";;;;;;;-0.24;;-3.24;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM401851;MM401851;C=CC(C#N)=C(C#N)CO;NGAJGKBTEAYPNU-UHFFFAOYSA-N;134.14;0.51;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_N0";;;;;;;0.34;;-1.53;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM401852;MM401852;Cc1c(F)n(N)cnc1=N;JHVAFIZUUURXMQ-UHFFFAOYSA-N;142.14;-0.48;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNa_SP3";;;;;;;-1.1;;-4.2;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM401853;MM401853;N#CC(CO)=C(C=O)C=O;BYKIDUBGNSRMNK-UHFFFAOYSA-N;139.11;-0.8;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_Na";;;;;;;-0.24;;-3.24;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM401854;MM401854;Cc1c(F)n(N)cnc1=O;VBAMAPRRDMYDJU-UHFFFAOYSA-N;143.12;-0.6;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNa_SP3";;;;;;;-1.1;;-4.2;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM401855;MM401855;N#CC(C=O)=C(C=O)CO;XLUUYYYOAPXFCY-UHFFFAOYSA-N;139.11;-0.8;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_Na";;;;;;;-0.24;;-3.24;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM401856;MM401856;N=c1nnc(N)nn1N;QSYATSAVMJWOMA-UHFFFAOYSA-N;127.11;-2.55;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP2_SP3";;;;;;;-2.2;;-5.19;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM401857;MM401857;N#CC(C=O)=C(C#N)CO;HSIACBARGVFEPR-UHFFFAOYSA-N;136.11;-0.48;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_Na";;;;;;;-0.24;;-3.24;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM401858;MM401858;Cc1c(F)n(O)cnc1=O;VMAMMVVDKWWQIX-UHFFFAOYSA-N;144.11;-0.07;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNa_SP3";;;;;;;-1.1;;-4.2;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM401859;MM401859;C=CC(CF)=C(C#N)C#N;ICIXNGGZGOPMLR-UHFFFAOYSA-N;136.13;1.49;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_N0";;;;;;;1.17;;-1.18;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM401860;MM401860;CC1NC1C(=O)C(=N)N;FSZOYBOYWBUVLP-UHFFFAOYSA-N;127.15;-1.15;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP1_P3";;;;;;;-1.93;;-4.72;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM401861;MM401861;CNC(C#N)=C(C=O)C=O;FMXPSXUEJSKXDQ-UHFFFAOYSA-N;138.13;-0.62;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda_P2";;;;;;;-0.24;;-3.31;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM401862;MM401862;C=C1C(=C)C2(O)CC1C2;HMEFSJWGAVYSTM-UHFFFAOYSA-N;122.17;1.25;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNda_SC4";;;;;;;2.2;;0.49;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM401863;MM401863;CNC(C=O)=C(C#N)C=O;XMPBSPXQMHERBU-UHFFFAOYSA-N;138.13;-0.62;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda_P2";;;;;;;-0.24;;-3.31;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM401864;MM401864;C=C1C(C)=NN=C1NN;SMTUJEXGFGJBJR-UHFFFAOYSA-N;124.15;-0.21;;;;;DOPC;MDCG;27;0;"MARTINI bead: SN0_SP1";;;;;;;0.34;;-1.53;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM401865;MM401865;C#CC(C=O)=C(C#N)CO;ISWPKRLZOUDNFP-UHFFFAOYSA-N;135.12;-0.37;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda_P2";;;;;;;-0.24;;-3.31;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM401866;MM401866;CC1C=CC2C(O)C12C;IFLLZBZWYKDFBN-UHFFFAOYSA-N;124.18;1.19;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC4_SNda";;;;;;;2.2;;0.49;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM401867;MM401867;C#CC(C=O)=C(C#N)CF;JGDADBFMXLUBEP-UHFFFAOYSA-N;137.11;0.61;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_Na";;;;;;;0.87;;-2.22;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM401868;MM401868;Nc1c(F)n(O)cnc1=O;LODXRDXJXKGUKP-UHFFFAOYSA-N;145.09;-0.8;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNda_SP3";;;;;;;-1.1;;-3.97;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM401869;MM401869;C#CC(C=O)=C(C=O)NC;XXCMCNVVBNDGNN-UHFFFAOYSA-N;137.14;-0.51;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda_P2";;;;;;;-0.24;;-3.31;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM401870;MM401870;NC(C#CCC(=O)O)=NO;KDUZLYUHOLWHBI-UHFFFAOYSA-N;142.11;-0.79;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_P1";;;;;;;-1.06;;-8.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM401871;MM401871;C#CC(C#N)=C(C=O)OC;BIGBOFRZZDIYLF-UHFFFAOYSA-N;135.12;0.24;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_N0";;;;;;;0.34;;-1.53;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM401872;MM401872;Cn1cnc(=N)c(F)c1F;MMZOWFAVUBRWCF-UHFFFAOYSA-N;145.11;0.18;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP2_SNa";;;;;;;-0.24;;-3.24;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM401873;MM401873;C#CC(C#C)=C(C=C)CO;WKGDXTGFABEOCF-UHFFFAOYSA-N;132.16;0.73;;;;;DOPC;MDCG;27;0;"MARTINI bead: N0_Nda";;;;;;;1.17;;-1.13;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM401874;MM401874;Cn1cnc(=O)c(F)c1F;FOWUIUOSZUCOQC-UHFFFAOYSA-N;146.1;0.06;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP2_SNa";;;;;;;-0.24;;-3.24;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM401875;MM401875;C#CC(CN)=C(C#C)CO;HPWVQYYOMIZPBA-UHFFFAOYSA-N;135.17;-0.5;;;;;DOPC;MDCG;27;1;"MARTINI bead: P2_Nda";;;;;;;-0.24;;-4.73;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM401876;MM401876;N=c1ncn(N)c(F)c1F;NFANBIJUTKTCPP-UHFFFAOYSA-N;146.1;-0.65;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP3_SNa";;;;;;;-1.1;;-4.2;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM401877;MM401877;C#CC(OC)=C(C#C)OC;RZPXSAJFABVYCV-UHFFFAOYSA-N;136.15;0.76;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_Na";;;;;;;0.87;;-2.22;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM401878;MM401878;Nn1cnc(=O)c(F)c1F;QHRWEMYJYIQRMI-UHFFFAOYSA-N;147.08;-0.76;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP3_SNa";;;;;;;-1.1;;-4.2;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM401879;MM401879;C#CC(CO)=C(C=C)C=C;ZVDWXFJJDGTFEH-UHFFFAOYSA-N;134.18;1.28;;;;;DOPC;MDCG;27;0;"MARTINI bead: P3_C1";;;;;;;0.94;;0.03;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM401880;MM401880;N=c1ncn(O)c(F)c1F;SXIXWHCGSSBPNN-UHFFFAOYSA-N;147.08;-0.12;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP2_SNa";;;;;;;-0.24;;-3.24;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM401881;MM401881;C#CC(CO)=C(C#N)C=O;HLCFHYYHMVQRGB-UHFFFAOYSA-N;135.12;-0.37;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda_P2";;;;;;;-0.24;;-3.31;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM401882;MM401882;O=c1ncn(O)c(F)c1F;CKPAHAQIORMMMZ-UHFFFAOYSA-N;148.07;-0.24;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP3_SNa";;;;;;;-1.1;;-4.2;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM401883;MM401883;C#CC(NC)=C(C=O)C=O;LTXFFLPETBGEDI-UHFFFAOYSA-N;137.14;-0.51;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda_P2";;;;;;;-0.24;;-3.31;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM401884;MM401884;Cc1c(F)c(=O)cnn1C;OLJHBCDJWLABJD-UHFFFAOYSA-N;142.13;0.23;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP2_SNa";;;;;;;-0.24;;-3.24;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM401885;MM401885;C#CC(OC)=C(C#N)C=C;ZIYOFKJCUYJUJJ-UHFFFAOYSA-N;133.15;1.23;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_N0";;;;;;;1.17;;-1.18;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM401886;MM401886;Cc1c(F)c(=O)cnn1O;UULCMTCSKHJRMO-UHFFFAOYSA-N;144.11;-0.07;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP2_SNda";;;;;;;-0.24;;-3.31;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM401887;MM401887;C#CC(C=O)=C(C#C)NC;JWFWUBUCDYONKT-UHFFFAOYSA-N;133.15;-0.07;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_C5";;;;;;;0.54;;-1.09;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM401888;MM401888;Cn1ncc(=O)c(F)c1N;OHXJDAWHQUUGIU-UHFFFAOYSA-N;143.12;-0.5;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNa_SP3";;;;;;;-1.1;;-4.2;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM401889;MM401889;C#CC(C=C)=C(C#C)OC;LNCOXBSKEYIIAW-UHFFFAOYSA-N;132.16;1.34;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_N0";;;;;;;1.94;;0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM401890;MM401890;C#CC(C#N)NCCF;JAQZUMUUOZOHFP-UHFFFAOYSA-N;126.13;0.07;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_P2";;;;;;;-0.24;;-3.24;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM401891;MM401891;C#CC(C#N)=C(C#C)OC;KLMKAKNWLULIMY-UHFFFAOYSA-N;131.13;0.68;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_P2";;;;;;;0.54;;-1.09;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM401892;MM401892;Nc1c(F)c(=O)cnn1O;YLTGDESDXWRGLE-UHFFFAOYSA-N;145.09;-0.8;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP3_SNda";;;;;;;-1.1;;-3.97;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM401893;MM401893;C#CC(C#C)=C(C#C)CN;RNQMXALONYEUTE-UHFFFAOYSA-N;129.16;0.14;;;;;DOPC;MDCG;27;1;"MARTINI bead: P2_C5";;;;;;;0.54;;-2.76;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM401894;MM401894;CC=NOCC(=O)NOC;OHKXFWOVJBKHLQ-UHFFFAOYSA-N;146.15;-0.31;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_Na";;;;;;;-0.24;;-7.5;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM401895;MM401895;C#CC(C#C)=C(C#C)OC;DQWOFORJNJJJTF-UHFFFAOYSA-N;130.15;0.79;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_C5";;;;;;;0.81;;-0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM401896;MM401896;Cc1c(C)n(C)nnc1=N;GDGNGMWXJMZBSC-UHFFFAOYSA-N;138.17;-0.09;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP1_SP2";;;;;;;-1.06;;-3.82;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM401897;MM401897;O=CC(C=O)=C(C=O)C=O;NISDJYLFAPBDPG-UHFFFAOYSA-N;140.09;-0.92;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_Na";;;;;;;0.87;;-2.22;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM401898;MM401898;Cc1c(C)n(C)nnc1=O;XWIMCALESNCZQO-UHFFFAOYSA-N;139.16;-0.21;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP1_SP2";;;;;;;-1.06;;-3.82;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM401899;MM401899;N#CC(C=O)=C(C=O)C=O;YYBPMFLWHSLMGO-UHFFFAOYSA-N;137.09;-0.6;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_Na";;;;;;;0.87;;-2.22;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM401900;MM401900;Cc1c(C)n(N)nnc1=N;AIAVRVBDFDYOGX-UHFFFAOYSA-N;139.16;-0.91;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP1_SP2";;;;;;;-1.06;;-3.82;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM401901;MM401901;C#CC(C#N)=C(C#N)C#N;WIGACGQBKSHBMV-UHFFFAOYSA-N;127.11;0.49;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_N0";;;;;;;0.34;;-1.53;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM401902;MM401902;Cc1c(C)n(N)nnc1=O;VQJVQBPUUXZNBR-UHFFFAOYSA-N;140.15;-1.03;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP1_SP3";;;;;;;-1.93;;-4.72;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM401903;MM401903;C#CC(C#C)=C(C#C)C=O;SWOOIMQUUSZJSW-UHFFFAOYSA-N;128.13;0.38;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_C5";;;;;;;0.54;;-1.09;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM401904;MM401904;Cc1c(C)n(O)nnc1=N;MMFQVAPSCBXTOX-UHFFFAOYSA-N;140.15;-0.39;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP1_SP2";;;;;;;-1.06;;-3.82;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM401905;MM401905;C#CC(C#C)=C(C#C)C#C;MEXXLIUXUQOIGI-UHFFFAOYSA-N;124.14;0.82;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_P1";;;;;;;0.81;;-0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM401906;MM401906;Cc1c(C)n(O)nnc1=O;UEVMKYBKWNZJBA-UHFFFAOYSA-N;141.13;-0.51;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP1_SP3";;;;;;;-1.93;;-4.72;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM401907;MM401907;CCCCCC(CC)CC;OEYGTUAKNZFCDJ-UHFFFAOYSA-N;142.29;4;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1_C1";;;;;;;4.95;;0.69;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM401908;MM401908;Cc1c(N)c(=N)nnn1C;OSXFWMVMZOZGEK-UHFFFAOYSA-N;139.16;-0.81;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP2_SP2";;;;;;;-1.34;;-4.31;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM401909;MM401909;CCC(CC)CCCCN;GSUHHVZAJZVRIH-UHFFFAOYSA-N;143.27;2.55;;;;;DOPC;MDCG;27;1;"MARTINI bead: C1_Nd";;;;;;;2.91;;-0.56;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM401910;MM401910;Cc1c(N)c(=O)nnn1C;IDUDOTSDLBXWJN-UHFFFAOYSA-N;140.15;-0.93;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP2_SP2";;;;;;;-1.34;;-4.31;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM401911;MM401911;N=CN=c1cnoc(N)n1;RNODXVOXJXDGJZ-UHFFFAOYSA-N;139.12;-0.84;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP3_SP3";;;;;;;-3.07;;-6.15;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM401912;MM401912;Cc1c(N)c(=N)nnn1N;SPTZMMMDYQZWNY-UHFFFAOYSA-N;140.15;-1.64;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP2_SP2";;;;;;;-1.34;;-4.31;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM401913;MM401913;CCCCCC(CC)CN;ZOBFVGFMDXEBIN-UHFFFAOYSA-N;143.27;2.55;;;;;DOPC;MDCG;27;1;"MARTINI bead: C1_C5";;;;;;;3.68;;0.56;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM401914;MM401914;Cc1c(N)c(=O)nnn1N;GUYDHOZZJCTQAF-UHFFFAOYSA-N;141.13;-1.76;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP2_SP3";;;;;;;-2.2;;-5.19;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM401915;MM401915;CCC(CN)CCCCN;BDVFBLBNLVKMSH-UHFFFAOYSA-N;144.26;1.1;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_Nd";;;;;;;0.87;;-5.21;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM401916;MM401916;NN=C(CF)N=CNN;NVYKRBUVJJIHBF-UHFFFAOYSA-N;133.13;-1.28;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_P3";;;;;;;-1.1;;-4.2;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM401917;MM401917;CCC(CN)CCCCO;VLZVMYPTEJOKIO-UHFFFAOYSA-N;145.25;1.13;;;;;DOPC;MDCG;27;1;"MARTINI bead: C5_Nda";;;;;;;1.64;;-2.69;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM401918;MM401918;Cc1c(N)c(=O)nnn1O;FDRBCIOYUIKQAD-UHFFFAOYSA-N;142.12;-1.23;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP2_SP3";;;;;;;-2.2;;-5.19;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM401919;MM401919;CC1CC1C1C(O)C1(C)C;UFOQMBBCGJUAMJ-UHFFFAOYSA-N;140.23;1.66;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC5_SNda";;;;;;;1.64;;0.05;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM401920;MM401920;Cc1c(O)c(=O)nnn1C;AVFQFVBMJJCVPC-UHFFFAOYSA-N;141.13;-0.81;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP2_SP2";;;;;;;-1.34;;-4.31;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM401921;MM401921;CCC(CO)CCCCN;VVQWFJDWPBAMMV-UHFFFAOYSA-N;145.25;1.13;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nda_Nd";;;;;;;0.87;;-4.72;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM401922;MM401922;Cc1c(F)c(=N)nnn1C;WZRVDJNBVJXFTK-UHFFFAOYSA-N;142.14;-0.26;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP1_SP2";;;;;;;-1.06;;-3.82;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM401923;MM401923;CCCCCC(CC)CF;ZPCWPAGKABGDGV-UHFFFAOYSA-N;146.25;3.56;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1_C2";;;;;;;4.87;;0.53;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM401924;MM401924;Cc1c(F)c(=O)nnn1C;SVLYUQBLAJCZFR-UHFFFAOYSA-N;143.12;-0.38;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP1_SP2";;;;;;;-1.06;;-3.82;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM401925;MM401925;CCC(CF)CCCCN;HKPNXUANJBKADZ-UHFFFAOYSA-N;147.24;2.11;;;;;DOPC;MDCG;27;1;"MARTINI bead: C2_Nd";;;;;;;2.83;;-0.75;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM401926;MM401926;Cc1c(F)c(=N)nnn1N;CWGOGMRSJSCPGY-UHFFFAOYSA-N;143.13;-1.08;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP1_SP2";;;;;;;-1.06;;-3.82;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM401927;MM401927;CC=CCC(C)(CC)CO;YAGXQYBDCASBCH-UHFFFAOYSA-N;142.24;2.36;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_C2";;;;;;;3.6;;0.34;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM401928;MM401928;Cc1c(F)c(=O)nnn1N;JPEZIITUQYPLGP-UHFFFAOYSA-N;144.11;-1.2;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP1_SP3";;;;;;;-1.93;;-4.72;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM401929;MM401929;CCC(CF)CCCCF;GCFMWFARBYKWSN-UHFFFAOYSA-N;150.21;3.12;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4_C4";;;;;;;3.53;;0.53;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM401930;MM401930;Cc1c(F)c(=N)nnn1O;IPAMVZQIZYBNOM-UHFFFAOYSA-N;144.11;-0.56;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP1_SP2";;;;;;;-1.06;;-3.82;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM401931;MM401931;CCCCCC(CN)CN;NJZKEXYHQYLRSR-UHFFFAOYSA-N;144.26;1.1;;;;;DOPC;MDCG;27;1;"MARTINI bead: C1_P2";;;;;;;1.8;;-1.64;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM401932;MM401932;Cc1c(F)c(=O)nnn1O;GYWITTUODMGDFS-UHFFFAOYSA-N;145.09;-0.68;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP1_SP3";;;;;;;-1.93;;-4.72;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM401933;MM401933;CCCCCC(CN)CO;AHEVQVWVFKNUGF-UHFFFAOYSA-N;145.25;1.13;;;;;DOPC;MDCG;27;1;"MARTINI bead: C1_P2";;;;;;;1.8;;-1.32;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM401934;MM401934;Cc1c(N)n(N)nnc1=N;IEHQQJHUMBSCAI-UHFFFAOYSA-N;140.15;-1.64;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP2_SP2";;;;;;;-1.34;;-4.31;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM401935;MM401935;NCCCCC(CN)CO;CITZOUUIAHPGLU-UHFFFAOYSA-N;146.23;-0.32;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_P2";;;;;;;-0.24;;-6.09;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM401936;MM401936;Cc1c(N)n(N)nnc1=O;OQSAWEKEIUYXPA-UHFFFAOYSA-N;141.13;-1.76;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP2_SP3";;;;;;;-2.2;;-5.19;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM401937;MM401937;NCC(CO)CCCCO;QJCJSIRFWRHIOX-UHFFFAOYSA-N;147.22;-0.28;;;;;DOPC;MDCG;27;1;"MARTINI bead: P2_Nda";;;;;;;-0.24;;-5.74;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM401938;MM401938;Cc1c(N)n(O)nnc1=N;LFFROTYOGUUQQW-UHFFFAOYSA-N;141.13;-1.11;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP2_SP2";;;;;;;-1.34;;-4.31;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM401939;MM401939;CCCCCC(CN)CF;ZNMNMXUDWXOTNG-UHFFFAOYSA-N;147.24;2.11;;;;;DOPC;MDCG;27;1;"MARTINI bead: C1_Nda";;;;;;;2.91;;-0.58;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM401940;MM401940;Cc1c(N)n(O)nnc1=O;DHDHQAFUNVLEDK-UHFFFAOYSA-N;142.12;-1.23;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP2_SP3";;;;;;;-2.2;;-5.19;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM401941;MM401941;NCC(CF)CCCCO;HTCLAZGXHWYGJC-UHFFFAOYSA-N;149.21;0.69;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1_Nda";;;;;;;0.04;;-5.44;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM401942;MM401942;N=c1nnn(N)c(N)c1N;GZRXTMDLTMMUGC-UHFFFAOYSA-N;141.14;-2.36;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP2_SP2";;;;;;;-1.34;;-4.31;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM401943;MM401943;NCC(CF)CCCCF;DGRHVOHGUPLTQD-UHFFFAOYSA-N;151.2;1.67;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1_C4";;;;;;;1.37;;-2.66;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM401944;MM401944;Nc1c(N)n(N)nnc1=O;MPROTKVLRKHZGE-UHFFFAOYSA-N;142.12;-2.48;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP2_SP3";;;;;;;-2.2;;-5.19;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM401945;MM401945;CCCCCC(CO)CO;RHYUFGNCUXTFTC-UHFFFAOYSA-N;146.23;1.17;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1_P3";;;;;;;0.94;;0.03;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM401946;MM401946;N=c1nnn(O)c(N)c1N;KTJHUOWOOVCZSJ-UHFFFAOYSA-N;142.12;-1.84;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP2_SP2";;;;;;;-1.34;;-4.31;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM401947;MM401947;NCCCCC(CO)CO;KUZCSLNRDJKKMK-UHFFFAOYSA-N;147.22;-0.28;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_P2";;;;;;;-0.24;;-5.94;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM401948;MM401948;Nc1c(N)n(O)nnc1=O;ZVMWEDCHPBOCSR-UHFFFAOYSA-N;143.11;-1.96;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP2_SP3";;;;;;;-2.2;;-5.19;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM401949;MM401949;OCCCCC(CO)CO;IVSFJTXTBRZCCK-UHFFFAOYSA-N;148.2;-0.25;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda_P2";;;;;;;-0.24;;-3.31;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM401950;MM401950;N=c1nnn(N)c(N)c1O;UUAOADGANGUOMN-UHFFFAOYSA-N;142.12;-2.24;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP2_SP2";;;;;;;-1.34;;-4.31;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM401951;MM401951;CCCCCC(CO)CF;RCOBAGBYHSEODZ-UHFFFAOYSA-N;148.22;2.14;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1_Nda";;;;;;;2.91;;0.57;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM401952;MM401952;Nc1c(O)c(=O)nnn1N;XPNQXNZBYAMKKW-UHFFFAOYSA-N;143.11;-2.36;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP2_SP3";;;;;;;-2.2;;-5.19;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM401953;MM401953;NCCCCC(CF)CF;YNUZGPHPLGERCM-UHFFFAOYSA-N;151.2;1.67;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_Na";;;;;;;0.87;;-4.68;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM401954;MM401954;Nc1c(O)c(=O)nnn1O;QKSRVGFQFHMYLY-UHFFFAOYSA-N;144.09;-1.84;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP2_SP3";;;;;;;-2.2;;-5.19;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM401955;MM401955;CCC(CC)CCCNC;FKGWFWDQBCHHOA-UHFFFAOYSA-N;143.27;2.42;;;;;DOPC;MDCG;27;1;"MARTINI bead: C1_Nd";;;;;;;2.91;;-0.86;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM401956;MM401956;C=CC1(CO)C=CC=C1;REWRDEJUSXOEBZ-UHFFFAOYSA-N;122.17;1.28;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC5_SC5";;;;;;;2.41;;0.64;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM401957;MM401957;CCC(CN)CCCNC;DZCSBCSDAISJFK-UHFFFAOYSA-N;144.26;0.97;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_Nd";;;;;;;0.87;;-5.41;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM401958;MM401958;Cn1nnc(=O)c(F)c1N;HTXBSARVMVZRER-UHFFFAOYSA-N;144.11;-1.1;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP2_SP2";;;;;;;-1.34;;-4.31;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM401959;MM401959;CNCCCC(CO)CO;MTEFSRLRIPLMHV-UHFFFAOYSA-N;147.22;-0.41;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_P2";;;;;;;-0.24;;-6.26;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM401960;MM401960;CNCCCC(CF)CF;ZNRZFMXUAHHUAQ-UHFFFAOYSA-N;151.2;1.54;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_Na";;;;;;;0.87;;-5.01;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM401961;MM401961;C=Cc1nc(NC)co1;BJUIGQXYXOTYFN-UHFFFAOYSA-N;124.14;1.36;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNda_SN0";;;;;;;1.17;;-1.13;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM401962;MM401962;C#CC(=O)CNN(C)C=O;CQYGGGTZYOAEQC-UHFFFAOYSA-N;140.14;-1.22;;;;;DOPC;MDCG;27;0;"MARTINI bead: P4_Na";;;;;;;-1.19;;-4.76;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM401963;MM401963;CCCC=NN=CNN;WSHFJEBJNQEFDV-UHFFFAOYSA-N;128.18;0.26;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1_P4";;;;;;;0.85;;-0.64;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM401964;MM401964;CCC(CF)CCCOC;MIOIOCFRUMUOKP-UHFFFAOYSA-N;148.22;2.41;;;;;DOPC;MDCG;27;0;"MARTINI bead: C2_Na";;;;;;;2.83;;0.35;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM401965;MM401965;N=c1nnn(O)c(N)c1F;WOWUTGCNDKHBCO-UHFFFAOYSA-N;145.1;-1.28;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP2_SP2";;;;;;;-1.34;;-4.31;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM401966;MM401966;COCCCC(CN)CN;OCYTYMMFADZCJG-UHFFFAOYSA-N;146.23;-0.05;;;;;DOPC;MDCG;27;1;"MARTINI bead: Na_P2";;;;;;;-0.24;;-5.99;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM401967;MM401967;Nc1c(F)c(=O)nnn1O;XEUNNRJBEDTAGF-UHFFFAOYSA-N;146.08;-1.4;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP2_SP3";;;;;;;-2.2;;-5.19;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM401968;MM401968;COCCCC(CO)CO;HNNONNFIHONPSS-UHFFFAOYSA-N;148.2;0.01;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_Nda";;;;;;;0.04;;-2.73;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM401969;MM401969;CNn1[nH]c(=O)ncc1=O;BLPMKWSCFAVJGE-UHFFFAOYSA-N;142.12;-1.9;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP3_SP3";;;;;;;-3.07;;-10.02;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM401970;MM401970;CCNCCC(CC)CC;OJRIMOVKLABMIP-UHFFFAOYSA-N;143.27;2.42;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_C1";;;;;;;2.91;;-0.93;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM401971;MM401971;O=c1[nH]n(O)c(=O)nc1O;AMQDWEITQRXUKU-UHFFFAOYSA-N;145.07;-2.13;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP2_SP3";;;;;;;-2.2;;-9.22;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM401972;MM401972;CCNCCC(CC)CO;JJNHSKUVMZYFCT-UHFFFAOYSA-N;145.25;1;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_Nda";;;;;;;0.87;;-4.82;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM401973;MM401973;N=c1nnn(N)c(O)c1N;AJZFSHUXUZHKRB-UHFFFAOYSA-N;142.12;-2.24;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP2_SP3";;;;;;;-2.2;;-5.19;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM401974;MM401974;CCNCCC(CO)CO;WDLGLRAQBBXGAA-UHFFFAOYSA-N;147.22;-0.41;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_P2";;;;;;;-0.24;;-5.74;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM401975;MM401975;C=CC(OC)=C(F)C(=O)O;OPWZRODDRRBGGO-UHFFFAOYSA-N;146.12;1.08;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4_P1";;;;;;;1.37;;-4.24;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM401976;MM401976;CCOCCC(CC)CC;QYOKYPFZRQJDFU-UHFFFAOYSA-N;144.26;2.85;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_C1";;;;;;;3.68;;0.46;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM401977;MM401977;CC#CCONC(=O)C#N;DSNAHCQNRDIESJ-UHFFFAOYSA-N;138.13;-0.42;;;;;DOPC;MDCG;27;0;"MARTINI bead: N0_P1";;;;;;;0.34;;-5.84;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM401978;MM401978;CCOCCC(CC)CN;RHEYRWJIOIAPHP-UHFFFAOYSA-N;145.25;1.4;;;;;DOPC;MDCG;27;1;"MARTINI bead: C5_Nd";;;;;;;1.64;;-2.71;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM401979;MM401979;NN=c1ncc(O)no1;UBNDGOANWCEGAZ-UHFFFAOYSA-N;128.09;-1.45;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP3_SP3";;;;;;;-3.07;;-10.03;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM401980;MM401980;CCOCCC(CC)CO;XMNAOEFSSGFCJY-UHFFFAOYSA-N;146.23;1.43;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_Nda";;;;;;;1.64;;0.05;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM401981;MM401981;CCc1noc(O)c1F;VNLYLAFVANZZDK-UHFFFAOYSA-N;131.11;1.08;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC5_SNda";;;;;;;1.64;;-4.2;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM401982;MM401982;CCOCCC(CN)CN;HVTMIRSROFDTPR-UHFFFAOYSA-N;146.23;-0.05;;;;;DOPC;MDCG;27;1;"MARTINI bead: C5_P3";;;;;;;-0.33;;-4.72;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM401983;MM401983;N#Cc1coc(=NO)[nH]1;LHYZJLHAPQNXJS-UHFFFAOYSA-N;125.09;-0.23;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP2_SNd";;;;;;;-0.24;;-7.41;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM401984;MM401984;CCOCCC(CO)CO;MLMADDYHUNSHFN-UHFFFAOYSA-N;148.2;0.01;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_P2";;;;;;;-0.24;;-3.24;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM401985;MM401985;Cc1nc(=N)onc1O;KECDIYISLIAPOD-UHFFFAOYSA-N;127.1;-0.44;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP2_SP3";;;;;;;-2.2;;-9.22;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM401986;MM401986;CCCCCC(CC)NC;KBLQWZGEQMIAQV-UHFFFAOYSA-N;143.27;2.56;;;;;DOPC;MDCG;27;1;"MARTINI bead: C1_C5";;;;;;;3.68;;0.45;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM401987;MM401987;C=c1ccc(=C)c(C)c1C;BBWGQESLEKUTKC-UHFFFAOYSA-N;132.21;1.12;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC3_SC3";;;;;;;4.27;;0.2;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM401988;MM401988;CCC(CCCCN)NC;YZXUVMKVNLTBDJ-UHFFFAOYSA-N;144.26;1.11;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_Nd";;;;;;;0.87;;-5.55;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM401989;MM401989;C=c1ccc(=C)c(F)c1C;UCKFNFAQKCMXBR-UHFFFAOYSA-N;136.17;0.95;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC4_SC3";;;;;;;3.9;;0.47;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM401990;MM401990;CCC(CCCCO)NC;XESJINIDZNRYIU-UHFFFAOYSA-N;145.25;1.15;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_Nda";;;;;;;0.87;;-5.25;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM401991;MM401991;C=c1ccc(=C)c(F)c1F;PIFNTFKEAANFKN-UHFFFAOYSA-N;140.13;0.79;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC4_SC3";;;;;;;3.9;;0.47;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM401992;MM401992;CCCCCC(CN)NC;UMOAZCHNSHJBFE-UHFFFAOYSA-N;144.26;1.11;;;;;DOPC;MDCG;27;1;"MARTINI bead: C1_P2";;;;;;;1.8;;-1.69;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM401993;MM401993;O=c1ccc(=O)c(O)co1;GOZNXQOKQGDBOL-UHFFFAOYSA-N;140.09;-0.29;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNda_SP1";;;;;;;0.04;;-2.73;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM401994;MM401994;CNC(CN)CCCCF;MYJAGUYNPVYMQM-UHFFFAOYSA-N;148.23;0.67;;;;;DOPC;MDCG;27;1;"MARTINI bead: P3_C4";;;;;;;0.23;;-3.8;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM401995;MM401995;Nc1n[nH]c(=O)ccc1=O;QSMWYKALGRRMCI-UHFFFAOYSA-N;139.11;-1.29;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP3_SP2";;;;;;;-2.2;;-5.19;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM401996;MM401996;CNC(CO)CCCCN;OPZVWSHAAATLSK-UHFFFAOYSA-N;146.23;-0.3;;;;;DOPC;MDCG;27;1;"MARTINI bead: P2_Nd";;;;;;;-0.24;;-6.14;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM401997;MM401997;Nc1ccc(=O)c(=O)[nH]n1;QRYVWQMHUCCCST-UHFFFAOYSA-N;139.11;-1.29;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP2_SP3";;;;;;;-2.2;;-5.19;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM401998;MM401998;CNC(CO)CCCCO;SMVTVZNGXBYTAK-UHFFFAOYSA-N;147.22;-0.27;;;;;DOPC;MDCG;27;1;"MARTINI bead: P2_Nda";;;;;;;-0.24;;-5.89;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM401999;MM401999;O=CC=NNCC1CN1;YLGFSMZZRZAQEY-UHFFFAOYSA-N;127.15;-1.27;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_SP1";;;;;;;-0.79;;-3.13;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM402000;MM402000;CCCCCC(CF)NC;GOGBVZFFLVOYTK-UHFFFAOYSA-N;147.24;2.12;;;;;DOPC;MDCG;27;1;"MARTINI bead: C1_Nda";;;;;;;2.91;;0.26;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM402001;MM402001;NC(=CC(=O)O)OCC=O;ZSXYVVQWNBSTKY-UHFFFAOYSA-N;145.11;-0.91;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_Na";;;;;;;-0.24;;-7.51;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM402002;MM402002;CNC(CF)CCCCF;IOICFNXSCBEQIQ-UHFFFAOYSA-N;151.2;1.68;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1_C4";;;;;;;1.37;;-1.6;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM402003;MM402003;C=C(C)C(=C)C(C)(C)CO;WNFXUIBBJNXHJZ-UHFFFAOYSA-N;140.23;2.14;;;;;DOPC;MDCG;27;0;"MARTINI bead: C3_Nda";;;;;;;2.57;;0.44;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM402004;MM402004;CCC(CCCNC)NC;RNAVCIMRXGIHAQ-UHFFFAOYSA-N;144.26;0.98;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_Nd";;;;;;;0.87;;-5.65;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM402005;MM402005;C=CC#CC(C)C(C)(C)O;OBGMYUIOWVSESV-UHFFFAOYSA-N;138.21;1.58;;;;;DOPC;MDCG;27;0;"MARTINI bead: C2_Nda";;;;;;;2.83;;0.57;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM402006;MM402006;CNCCCC(CO)NC;BGMOXKWXEJBXKU-UHFFFAOYSA-N;146.23;-0.43;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_P2";;;;;;;-0.24;;-6.36;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM402007;MM402007;C#CC(N)=NOCC(=O)O;YIINCGSLQUHNPE-UHFFFAOYSA-N;142.11;-1.01;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_P1";;;;;;;-0.79;;-7.45;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM402008;MM402008;CCC(CCCOC)NC;HXFABPSNCTVZAC-UHFFFAOYSA-N;145.25;1.41;;;;;DOPC;MDCG;27;1;"MARTINI bead: C5_Na";;;;;;;1.64;;-3.26;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM402009;MM402009;CCNCCC(CC)NC;CIMBKTRCGQWTMR-UHFFFAOYSA-N;144.26;0.98;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_Nd";;;;;;;0.87;;-5.32;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM402010;MM402010;C#CC(OC(C)=O)C(=O)O;JURBWIDAKHYDGT-UHFFFAOYSA-N;142.11;-0.36;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_P1";;;;;;;0.04;;-6.86;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM402011;MM402011;CCNCCC(CO)NC;RRLHDYIFUIKVQZ-UHFFFAOYSA-N;146.23;-0.43;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_P2";;;;;;;-0.24;;-5.86;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM402012;MM402012;N=c1ncc(=O)[nH]nc1N;OWPPRMIBHNYEGV-UHFFFAOYSA-N;139.12;-1.77;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP3_SP3";;;;;;;-3.07;;-6.15;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM402013;MM402013;CCOCCC(CC)NC;YXDPVIUWEYHIBR-UHFFFAOYSA-N;145.25;1.41;;;;;DOPC;MDCG;27;1;"MARTINI bead: C5_Nd";;;;;;;1.64;;-3.01;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM402014;MM402014;Nc1n[nH]c(=O)cnc1=O;SESMUPHNSVQNEH-UHFFFAOYSA-N;140.1;-1.89;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP3_SP4";;;;;;;-3.15;;-6.87;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM402015;MM402015;CCCCCC(CC)OC;FRFFONQXEGIMOW-UHFFFAOYSA-N;144.26;2.99;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1_C4";;;;;;;4.24;;0.42;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM402016;MM402016;Nc1c[nH]c(=O)c(=O)nn1;VKRYXBPSSCOCMK-UHFFFAOYSA-N;140.1;-1.89;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP3_SP4";;;;;;;-3.15;;-6.87;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM402017;MM402017;CCC(CCCCN)OC;LGWISQFCMROWJR-UHFFFAOYSA-N;145.25;1.54;;;;;DOPC;MDCG;27;1;"MARTINI bead: C4_Nd";;;;;;;2.2;;-2.22;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM402018;MM402018;N=c1nnc(=O)[nH]nc1N;SOEIPKXPPRTTQL-UHFFFAOYSA-N;140.11;-2.38;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP4_SP4";;;;;;;-3.24;;-7.51;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM402019;MM402019;C#CC1CC(O)(C=C)C1C;IFPDRNXQXZMTRA-UHFFFAOYSA-N;136.19;1.19;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC4_SNda";;;;;;;2.2;;0.49;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM402020;MM402020;CC(C)(C)C=NN=CNN;ZKRFRNRVHJTPBT-UHFFFAOYSA-N;142.21;0.51;;;;;DOPC;MDCG;27;0;"MARTINI bead: C3_P2";;;;;;;1.46;;-0.15;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM402021;MM402021;CCCCCC(CN)OC;WMAGUWIAHCROKK-UHFFFAOYSA-N;145.25;1.54;;;;;DOPC;MDCG;27;1;"MARTINI bead: C1_P2";;;;;;;1.8;;-0.97;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM402022;MM402022;Nc1noc(=O)cnc1=O;WGKRKXRSBSPMRR-UHFFFAOYSA-N;141.09;-1.63;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP3_SP3";;;;;;;-3.07;;-6.15;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM402023;MM402023;COC(CN)CCCCO;ZFVZPQMOLCUKFG-UHFFFAOYSA-N;147.22;0.12;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nda_P1";;;;;;;0.04;;-4.8;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM402024;MM402024;Cn1nc(O)n(O)c1=O;OFVAVAVIUHAQCB-UHFFFAOYSA-N;131.09;-1.48;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP2_SP3";;;;;;;-2.2;;-9.23;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM402025;MM402025;CCCCCC(CO)OC;UQFSMTHOTMBTLV-UHFFFAOYSA-N;146.23;1.57;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1_P1";;;;;;;2.08;;0.48;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM402026;MM402026;C=C(OC(=O)CO)C(=O)O;ZUYFFOAXRUOEBV-UHFFFAOYSA-N;146.1;-0.88;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_Nda";;;;;;;-0.24;;-7.56;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM402027;MM402027;COC(CO)CCCCN;ULLFRGFMZARSSB-UHFFFAOYSA-N;147.22;0.12;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1_Nd";;;;;;;0.04;;-5.43;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM402028;MM402028;CC(=O)C=CC(C)C(C)O;ARGNMBBTCCUBQC-UHFFFAOYSA-N;142.2;1.15;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_C5";;;;;;;0.81;;-0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM402029;MM402029;CCCCCC(CF)OC;VWEOBWLLENPINJ-UHFFFAOYSA-N;148.22;2.55;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1_Na";;;;;;;2.91;;0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM402030;MM402030;C=C(F)C=CC(C)C(C)O;IJCVWMYLDWIMFL-UHFFFAOYSA-N;144.19;2.04;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda_C5";;;;;;;1.64;;0.05;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM402031;MM402031;CCC(CCCNC)OC;JFKMJRCOIZLLFE-UHFFFAOYSA-N;145.25;1.41;;;;;DOPC;MDCG;27;1;"MARTINI bead: C4_Nd";;;;;;;2.2;;-2.54;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM402032;MM402032;N=c1nnc(=O)c(N)no1;FGHWOEUMYKQZPA-UHFFFAOYSA-N;141.09;-2.11;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP3_SP3";;;;;;;-3.07;;-6.15;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM402033;MM402033;CNCCCC(CN)OC;CPKIXGNTDLZYNV-UHFFFAOYSA-N;146.23;-0.04;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_P2";;;;;;;-0.24;;-6.3;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM402034;MM402034;Nc1noc(=O)nnc1=O;XVFOVFGXOSTFQG-UHFFFAOYSA-N;142.07;-2.23;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP3_SP3";;;;;;;-3.07;;-6.15;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM402035;MM402035;CNCCCC(CO)OC;WZZDVAOZYMWXHU-UHFFFAOYSA-N;147.22;-0.01;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_P2";;;;;;;-0.24;;-6.26;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM402036;MM402036;O=Cc1noc(F)c1O;LVOISECLYNJNAE-UHFFFAOYSA-N;131.06;0.33;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNda_SNa";;;;;;;0.87;;-6.33;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM402037;MM402037;CCC(CCCOC)OC;DOLDNQDBWMPLIQ-UHFFFAOYSA-N;146.23;1.84;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4_Na";;;;;;;2.2;;0.34;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM402038;MM402038;CC(O)C=CC(=O)C(=O)O;KREFNAFBEMTFJQ-UHFFFAOYSA-N;144.13;-0.42;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda_P2";;;;;;;-0.24;;-7.56;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM402039;MM402039;CCNCCC(CC)OC;GPDPDDIFOTUIPF-UHFFFAOYSA-N;145.25;1.41;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_C4";;;;;;;2.2;;-2.39;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM402040;MM402040;O=C(O)C(=O)C=CCCO;AMOIZOSUDMPIOA-UHFFFAOYSA-N;144.13;-0.42;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda_P2";;;;;;;-0.24;;-7.56;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM402041;MM402041;CCNCCC(CF)OC;SMHCKOSAICCQNH-UHFFFAOYSA-N;149.21;0.97;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_Na";;;;;;;0.87;;-4.85;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM402042;MM402042;C#CC(F)(C=NO)C(F)F;GCCWEFXYAYQRTK-UHFFFAOYSA-N;151.09;1.05;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda_N0";;;;;;;1.17;;-5.46;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM402043;MM402043;CCOCCC(CC)OC;QQGJPMQAFGKRFF-UHFFFAOYSA-N;146.23;1.84;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_Na";;;;;;;1.64;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM402044;MM402044;Nc1c[nH]c(=O)c(=O)cn1;LDELCDLYDRVIIX-UHFFFAOYSA-N;139.11;-1.29;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP3_SP3";;;;;;;-3.07;;-6.15;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM402045;MM402045;CCOCCC(CN)OC;FHMYEQFNUWUXPQ-UHFFFAOYSA-N;147.22;0.39;;;;;DOPC;MDCG;27;1;"MARTINI bead: C5_P2";;;;;;;0.54;;-3.15;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM402046;MM402046;Cc1ccc(=O)c(=O)oc1;CFLJDGZDPIEWDY-UHFFFAOYSA-N;138.12;0.31;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC4_SNa";;;;;;;2.2;;0.34;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM402047;MM402047;CCCCCC(OC)OC;ZQUJUCJLDXTKKW-UHFFFAOYSA-N;146.23;2.19;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1_Na";;;;;;;2.91;;0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM402048;MM402048;Cc1ncc(=O)c(=O)on1;QKAQZCAODLAYEL-UHFFFAOYSA-N;140.1;-0.9;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP2_SP3";;;;;;;-2.2;;-5.19;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM402049;MM402049;CCNCCC(OC)OC;XOIYUDRMTQZUOZ-UHFFFAOYSA-N;147.22;0.6;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_Na";;;;;;;0.87;;-4.63;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM402050;MM402050;N=C(C(=O)O)N(O)CC=O;SOMILAYJTUZQFI-UHFFFAOYSA-N;146.1;-1.06;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_P1";;;;;;;-1.06;;-8.08;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM402051;MM402051;CCCNCC(CC)CC;XOVWEHYQNWHVMP-UHFFFAOYSA-N;143.27;2.42;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_C1";;;;;;;2.91;;-1.2;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM402052;MM402052;N=c1nnc(N)c[nH]c1=O;ZUTDSCUIQQLDIC-UHFFFAOYSA-N;139.12;-1.77;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP3_SP3";;;;;;;-3.07;;-6.15;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM402053;MM402053;CCC(CC)CNCCN;GTFLEZOKQPUEOU-UHFFFAOYSA-N;144.26;0.97;;;;;DOPC;MDCG;27;1;"MARTINI bead: C1_P3";;;;;;;0.94;;-2.67;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM402054;MM402054;N=c1nnc(N)n[nH]c1=O;PEJHELOUFQTOFW-UHFFFAOYSA-N;140.11;-2.38;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP4_SP4";;;;;;;-3.24;;-7.51;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM402055;MM402055;CCC(CC)CNCCO;NOKBDAJUQHJICZ-UHFFFAOYSA-N;145.25;1;;;;;DOPC;MDCG;27;1;"MARTINI bead: C1_P2";;;;;;;1.8;;-1.63;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM402056;MM402056;Cc1cnc(=N)c(=O)oc1;GGAMPJGRDIBJBJ-UHFFFAOYSA-N;138.13;-0.18;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNa_SP1";;;;;;;0.04;;-2.54;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM402057;MM402057;CCC(CC)CNCCF;BREYAPWUCZVFFQ-UHFFFAOYSA-N;147.24;1.98;;;;;DOPC;MDCG;27;1;"MARTINI bead: C1_P1";;;;;;;2.08;;-0.27;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM402058;MM402058;Cc1nnc(=N)c(=O)on1;UHERELJLTZMEOD-UHFFFAOYSA-N;140.1;-1.39;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP2_SP3";;;;;;;-2.2;;-5.19;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM402059;MM402059;CCCNCC(CC)CN;WVWIFEBXBQVNBX-UHFFFAOYSA-N;144.26;0.97;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_C5";;;;;;;1.64;;-3.1;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM402060;MM402060;Cc1nnc(=O)c(=O)on1;MMYFNMNLLGJXHS-UHFFFAOYSA-N;141.09;-1.51;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP2_SP3";;;;;;;-2.2;;-5.19;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM402061;MM402061;CCC(CN)CNCCN;YGWMUPVCANPYLM-UHFFFAOYSA-N;145.25;-0.48;;;;;DOPC;MDCG;27;1;"MARTINI bead: C5_P4";;;;;;;-0.41;;-5.35;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM402062;MM402062;Cc1coc(=O)ccc1=O;TUQNCSXJSWNZHX-UHFFFAOYSA-N;138.12;0.31;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC4_SP1";;;;;;;1.37;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM402063;MM402063;CCC(CN)CNCCO;ZUIUXJXSSRXSRW-UHFFFAOYSA-N;146.23;-0.45;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_P2";;;;;;;-0.24;;-5.89;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM402064;MM402064;Nc1coc(=O)ccc1=O;BZXHAKINQYTYNH-UHFFFAOYSA-N;139.11;-0.42;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNd_SP1";;;;;;;0.04;;-2.63;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM402065;MM402065;CCCNCC(CC)CO;VIYIIVIVBCPOBJ-UHFFFAOYSA-N;145.25;1;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_C5";;;;;;;1.64;;-2.87;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM402066;MM402066;O=c1ccc(=O)c(F)co1;NLHLNWWIXCOZNQ-UHFFFAOYSA-N;142.09;0.14;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNa_SP1";;;;;;;0.04;;-2.54;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM402067;MM402067;CCC(CO)CNCCO;YZJHPSPBRAPSCG-UHFFFAOYSA-N;147.22;-0.41;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nda_P2";;;;;;;-0.24;;-5.56;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM402068;MM402068;N=c1cnc(=O)[nH]cc1O;XHJXPRDBJMFNOD-UHFFFAOYSA-N;139.11;-1.05;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP3_SP1";;;;;;;-1.93;;-4.72;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM402069;MM402069;CCCNCC(CC)CF;JEDKJIMNNJITJV-UHFFFAOYSA-N;147.24;1.98;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_C4";;;;;;;2.2;;-2.54;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM402070;MM402070;Cc1coc(=N)ncc1=O;RULJZWNFNAHHLK-UHFFFAOYSA-N;138.13;-0.18;;;;;DOPC;MDCG;27;0;"MARTINI bead: SN0_SP2";;;;;;;0.06;;-2.21;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM402071;MM402071;CCC(CF)CNCCN;NSUZYNKZPRSFGT-UHFFFAOYSA-N;148.23;0.53;;;;;DOPC;MDCG;27;1;"MARTINI bead: C4_P3";;;;;;;0.23;;-3.63;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM402072;MM402072;Cc1coc(=O)ncc1=O;JJTLNSOOIBRHQC-UHFFFAOYSA-N;139.11;-0.3;;;;;DOPC;MDCG;27;0;"MARTINI bead: SN0_SP2";;;;;;;0.06;;-2.21;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM402073;MM402073;NCC(CN)CNCCO;CMKSHJPWCVLWQI-UHFFFAOYSA-N;147.22;-1.9;;;;;DOPC;MDCG;27;1;"MARTINI bead: P3_P2";;;;;;;-2.2;;-7.72;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM402074;MM402074;CCC(O)CC=CC(C)=O;OWOWXSFQNYDOEA-UHFFFAOYSA-N;142.2;1.29;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda_Na";;;;;;;0.87;;-1.99;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM402075;MM402075;NCC(CO)CNCCO;NOTVLIOPOCHYNW-UHFFFAOYSA-N;148.21;-1.86;;;;;DOPC;MDCG;27;1;"MARTINI bead: P2_P2";;;;;;;-1.34;;-6.62;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM402076;MM402076;Nc1coc(=O)ncc1=O;ANXKIKGSKNHCRT-UHFFFAOYSA-N;140.1;-1.02;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP2_SP2";;;;;;;-1.34;;-4.31;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM402077;MM402077;NCC(CO)CNCCF;IFOWFMSWZSKZSC-UHFFFAOYSA-N;150.2;-0.89;;;;;DOPC;MDCG;27;1;"MARTINI bead: P2_P2";;;;;;;-1.34;;-6.44;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM402078;MM402078;N=c1ncc(=O)c(F)co1;OZVWCPDUEOJZLK-UHFFFAOYSA-N;142.09;-0.35;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP1_SP2";;;;;;;-1.06;;-3.82;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM402079;MM402079;NCC(CF)CNCCO;SAWOADSLNMYVRL-UHFFFAOYSA-N;150.2;-0.89;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1_P2";;;;;;;-1.06;;-6.37;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM402080;MM402080;O=c1ncc(=O)c(F)co1;XAMRUBSVEVBCHA-UHFFFAOYSA-N;143.07;-0.47;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP1_SP2";;;;;;;-1.06;;-3.82;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM402081;MM402081;CCCNCC(CO)CO;WXVKJHPMVIGRNY-UHFFFAOYSA-N;147.22;-0.41;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_P2";;;;;;;-0.24;;-5.63;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM402082;MM402082;Cc1noc(=O)ccc1=O;LGHIVRYHZAEWGN-UHFFFAOYSA-N;139.11;-0.3;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNa_SP2";;;;;;;-0.24;;-3.24;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM402083;MM402083;NCCNCC(CO)CO;IVGQJZOYCDTZNS-UHFFFAOYSA-N;148.21;-1.86;;;;;DOPC;MDCG;27;1;"MARTINI bead: P4_P2";;;;;;;-2.29;;-8.1;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM402084;MM402084;O=c1ccc(=O)c(F)no1;PHMWPFYTXWKFDZ-UHFFFAOYSA-N;143.07;-0.47;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNa_SP2";;;;;;;-0.24;;-3.24;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM402085;MM402085;OCCNCC(CO)CO;XNHJSDDTGQTVIG-UHFFFAOYSA-N;149.19;-1.83;;;;;DOPC;MDCG;27;1;"MARTINI bead: P2_P3";;;;;;;-2.2;;-6.94;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM402086;MM402086;Cc1noc(=N)ncc1=O;CGXAJFOYTYVPLC-UHFFFAOYSA-N;139.11;-0.78;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP2_SP3";;;;;;;-2.2;;-5.19;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM402087;MM402087;CCCNCC(CF)CF;MXGKCFKLSONCIH-UHFFFAOYSA-N;151.2;1.54;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_Na";;;;;;;0.87;;-4.67;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM402088;MM402088;Cc1noc(=O)ncc1=O;XOISLMYSUVTIGX-UHFFFAOYSA-N;140.1;-0.9;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP2_SP2";;;;;;;-1.34;;-4.31;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM402089;MM402089;OCCNCC(CF)CF;NBQXVVMDKWCQIF-UHFFFAOYSA-N;153.17;0.12;;;;;DOPC;MDCG;27;1;"MARTINI bead: P2_Na";;;;;;;-0.24;;-5.32;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM402090;MM402090;CCCNCC(CC)NC;ZLHRIIAXCSMOMC-UHFFFAOYSA-N;144.26;0.98;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_Nd";;;;;;;0.87;;-4.85;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM402091;MM402091;N=c1ncc(=O)c(F)no1;JAPLUTUGNGKKEM-UHFFFAOYSA-N;143.08;-0.95;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP2_SP3";;;;;;;-2.2;;-5.19;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM402092;MM402092;CCC(CNCCO)NC;NWNZULOFLHOBPG-UHFFFAOYSA-N;146.23;-0.43;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_P2";;;;;;;-0.24;;-5.6;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM402093;MM402093;O=c1ncc(=O)c(F)no1;VOVUMOFKYBOGCL-UHFFFAOYSA-N;144.06;-1.07;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP2_SP2";;;;;;;-1.34;;-4.31;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM402094;MM402094;CNC(CN)CNCCO;URCXKDHOIBJBHI-UHFFFAOYSA-N;147.22;-1.89;;;;;DOPC;MDCG;27;1;"MARTINI bead: P3_P2";;;;;;;-2.2;;-7.14;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM402095;MM402095;Cc1coc(=O)cnc1=N;ACGAURXHIFFGTK-UHFFFAOYSA-N;138.13;-0.18;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP1_SP2";;;;;;;-1.06;;-3.82;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM402096;MM402096;CCCNCC(CO)NC;AEILYKREVWFDNR-UHFFFAOYSA-N;146.23;-0.43;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_P2";;;;;;;-0.24;;-5.3;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM402097;MM402097;N=c1ncc(=O)occ1F;QEKCGELPECZLTG-UHFFFAOYSA-N;142.09;-0.35;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP1_SP2";;;;;;;-1.06;;-3.82;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM402098;MM402098;CNC(CO)CNCCN;TWNKASRSTZVETJ-UHFFFAOYSA-N;147.22;-1.89;;;;;DOPC;MDCG;27;1;"MARTINI bead: P2_P3";;;;;;;-2.2;;-7.33;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM402099;MM402099;Cc1coc(=O)cnc1=O;DRRNTEWMJVTIOU-UHFFFAOYSA-N;139.11;-0.3;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP1_SP2";;;;;;;-1.06;;-3.82;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM402100;MM402100;CNC(CO)CNCCO;DOANCSRWQVJTJB-UHFFFAOYSA-N;148.21;-1.85;;;;;DOPC;MDCG;27;1;"MARTINI bead: P2_P2";;;;;;;-1.34;;-6.08;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM402101;MM402101;Nc1coc(=O)cnc1=O;RJSMREOGKBDUKD-UHFFFAOYSA-N;140.1;-1.02;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP2_SP2";;;;;;;-1.34;;-4.31;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM402102;MM402102;CNC(CF)CNCCO;MPHDQPVDMICQRB-UHFFFAOYSA-N;150.2;-0.87;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nda_P3";;;;;;;-1.1;;-5.46;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM402103;MM402103;O=c1cnc(=O)c(F)co1;NOAOISGSQQXOOS-UHFFFAOYSA-N;143.07;-0.47;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP1_SP2";;;;;;;-1.06;;-3.82;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM402104;MM402104;CCCNCC(CC)OC;LJDDOOWEIHPQIS-UHFFFAOYSA-N;145.25;1.41;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_C4";;;;;;;2.2;;-2.08;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM402105;MM402105;Cc1c[nH]c(=O)nnc1=N;FAQGBAXJCZRBBJ-UHFFFAOYSA-N;138.13;-1.05;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP3_SP3";;;;;;;-3.07;;-6.15;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM402106;MM402106;CCC(CNCCO)OC;HMQJPWZDXGUOMI-UHFFFAOYSA-N;147.22;-0.01;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nda_P1";;;;;;;0.04;;-4.66;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM402107;MM402107;Cc1c[nH]c(=O)nnc1=O;ZDBCJHRVKANPED-UHFFFAOYSA-N;139.11;-1.17;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP3_SP3";;;;;;;-3.07;;-6.15;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM402108;MM402108;COC(CO)CNCCN;HNPURPRNECVOPA-UHFFFAOYSA-N;148.21;-1.46;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1_P4";;;;;;;-2.01;;-7.18;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM402109;MM402109;Cc1coc(=N)nnc1=N;KRDMSCHCBCKNBI-UHFFFAOYSA-N;138.13;-0.66;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP2_SP2";;;;;;;-1.34;;-4.31;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM402110;MM402110;COC(CO)CNCCO;DWVCTCWWJIFLSO-UHFFFAOYSA-N;149.19;-1.42;;;;;DOPC;MDCG;27;1;"MARTINI bead: P2_P2";;;;;;;-1.34;;-5.75;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM402111;MM402111;Cc1coc(=O)nnc1=N;ZLXFOXLYBDANDS-UHFFFAOYSA-N;139.11;-0.78;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP2_SP2";;;;;;;-1.34;;-4.31;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM402112;MM402112;COC(CF)CNCCN;XAZNICXOHLUBBP-UHFFFAOYSA-N;150.2;-0.48;;;;;DOPC;MDCG;27;1;"MARTINI bead: Na_P3";;;;;;;-1.1;;-6.33;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM402113;MM402113;C=C(F)C=CCC(O)CC;QKBGZLNONSIKJF-UHFFFAOYSA-N;144.19;2.19;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda_C4";;;;;;;2.2;;0.49;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM402114;MM402114;CCCOCC(CC)CC;AIJUWJUORDWRCG-UHFFFAOYSA-N;144.26;2.85;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_C1";;;;;;;2.91;;0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM402115;MM402115;Nn1oc(O)nc1=O;HHRCPYHLHCJWHK-UHFFFAOYSA-N;117.06;-1.74;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP3_SP1";;;;;;;-1.93;;-8.73;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM402116;MM402116;CCC(CC)COCCN;GMBDZKZAMQRWFI-UHFFFAOYSA-N;145.25;1.4;;;;;DOPC;MDCG;27;1;"MARTINI bead: C1_P2";;;;;;;1.8;;-0.94;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM402117;MM402117;C=NOCC(O)C(=O)O;GIXDYOATODAAKQ-UHFFFAOYSA-N;133.1;-0.94;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_P2";;;;;;;-1.06;;-8.08;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM402118;MM402118;CCC(CC)COCCO;ZKCAGDPACLOVBN-UHFFFAOYSA-N;146.23;1.43;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1_P2";;;;;;;1.8;;0.4;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM402119;MM402119;N=c1nnc(=N)c(F)co1;ZBLUQZJKAIMDAW-UHFFFAOYSA-N;142.09;-0.83;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP2_SP2";;;;;;;-1.34;;-4.31;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM402120;MM402120;CCC(CC)COCCF;UFNNWWGURMBJRI-UHFFFAOYSA-N;148.22;2.41;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1_Na";;;;;;;2.91;;0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM402121;MM402121;N=c1nnc(=O)occ1F;RMIZCROLTVJTHJ-UHFFFAOYSA-N;143.08;-0.95;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP2_SP2";;;;;;;-1.34;;-4.31;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM402122;MM402122;CCC(CN)COCCN;NVOORVRSGBBRBK-UHFFFAOYSA-N;146.23;-0.05;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_P2";;;;;;;-0.24;;-5.96;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM402123;MM402123;Cc1coc(=N)nnc1=O;CAXTYUTWIFRPLC-UHFFFAOYSA-N;139.11;-0.78;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP2_SP3";;;;;;;-2.2;;-5.19;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM402124;MM402124;CCC(CF)COCCO;AWICUCGBGLSAMH-UHFFFAOYSA-N;150.19;0.99;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4_P2";;;;;;;1.09;;-0.38;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM402125;MM402125;Cc1coc(=O)nnc1=O;QRQNZRKHOHYFQW-UHFFFAOYSA-N;140.1;-0.9;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP2_SP2";;;;;;;-1.34;;-4.31;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM402126;MM402126;NCCOCC(CN)CN;RCBWLUUWURKCBO-UHFFFAOYSA-N;147.22;-1.5;;;;;DOPC;MDCG;27;1;"MARTINI bead: P2_P3";;;;;;;-2.2;;-7.91;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM402127;MM402127;CC(=NN)NC(=N)C=NN;PTPNVCNJYOPMBP-UHFFFAOYSA-N;142.17;-1.21;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nd_P3";;;;;;;-1.1;;-3.93;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM402128;MM402128;NCC(CN)COCCO;LIJPPNTWALCZDH-UHFFFAOYSA-N;148.21;-1.47;;;;;DOPC;MDCG;27;1;"MARTINI bead: P3_P2";;;;;;;-2.2;;-7.84;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM402129;MM402129;Nc1coc(=O)nnc1=O;IBDHYIHLDAQUST-UHFFFAOYSA-N;141.09;-1.63;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP3_SP2";;;;;;;-2.2;;-5.19;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM402130;MM402130;NCCOCC(CN)CO;FGRXQEZUDKKSEL-UHFFFAOYSA-N;148.21;-1.47;;;;;DOPC;MDCG;27;1;"MARTINI bead: P2_P2";;;;;;;-1.34;;-6.84;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM402131;MM402131;N=c1nnc(=O)c(F)co1;RGDYWPPRTSPCGT-UHFFFAOYSA-N;143.08;-0.95;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP2_SP3";;;;;;;-2.2;;-5.19;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM402132;MM402132;NCC(CO)COCCO;VKEFPTMOYJLIIU-UHFFFAOYSA-N;149.19;-1.44;;;;;DOPC;MDCG;27;1;"MARTINI bead: P2_P2";;;;;;;-1.34;;-6.68;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM402133;MM402133;O=c1nnc(=O)c(F)co1;CPPMLNNAKUHLSS-UHFFFAOYSA-N;144.06;-1.07;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP2_SP2";;;;;;;-1.34;;-4.31;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM402134;MM402134;NCCOCC(CN)CF;QYDQFYUUOSJPOH-UHFFFAOYSA-N;150.2;-0.49;;;;;DOPC;MDCG;27;1;"MARTINI bead: P2_P1";;;;;;;-1.06;;-6.56;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM402135;MM402135;Cc1noc(=O)cnc1=N;XFIUOYJHBBGUMJ-UHFFFAOYSA-N;139.11;-0.78;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP2_SP3";;;;;;;-2.2;;-5.19;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM402136;MM402136;NCC(CF)COCCO;JUBBYBKFBVGYAX-UHFFFAOYSA-N;151.18;-0.46;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1_P2";;;;;;;-1.06;;-6.47;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM402137;MM402137;N=c1ncc(=O)onc1F;DBOHGGUAWXESND-UHFFFAOYSA-N;143.08;-0.95;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP2_SP3";;;;;;;-2.2;;-5.19;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM402138;MM402138;NCCOCC(CO)CO;JGZHDTNCIGXVAC-UHFFFAOYSA-N;149.19;-1.44;;;;;DOPC;MDCG;27;1;"MARTINI bead: P2_P3";;;;;;;-2.2;;-7.21;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM402139;MM402139;Cc1noc(=O)cnc1=O;WPBDVIYLPKPFKJ-UHFFFAOYSA-N;140.1;-0.9;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP2_SP3";;;;;;;-2.2;;-5.19;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM402140;MM402140;OCCOCC(CO)CO;QNDKXOARHNUKAZ-UHFFFAOYSA-N;150.17;-1.4;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_P3";;;;;;;-1.93;;-4.72;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM402141;MM402141;O=c1cnc(=O)c(F)no1;ZJQRLQUOCUVIMP-UHFFFAOYSA-N;144.06;-1.07;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP2_SP3";;;;;;;-2.2;;-5.19;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM402142;MM402142;OCC(CO)COCCF;SYITYZFKRPZDDP-UHFFFAOYSA-N;152.17;-0.43;;;;;DOPC;MDCG;27;0;"MARTINI bead: P3_Na";;;;;;;-1.1;;-4.2;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM402143;MM402143;Cc1n[nH]c(=O)nnc1=N;HESBFBADBUMPPI-UHFFFAOYSA-N;139.12;-1.65;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP4_SP3";;;;;;;-3.15;;-6.87;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM402144;MM402144;OCCOCC(CO)CF;CLQXZZAGELURDV-UHFFFAOYSA-N;152.17;-0.43;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_P1";;;;;;;-1.06;;-3.82;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM402145;MM402145;CCC(CC)COCOC;GWVMBNVAQIOBLQ-UHFFFAOYSA-N;146.23;2.04;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1_P1";;;;;;;2.08;;0.48;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM402146;MM402146;N=CN(C=N)N=CC(=O)O;CMKVPTQJGUTUIX-UHFFFAOYSA-N;142.12;-0.43;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_P2";;;;;;;-1.06;;-8.08;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM402147;MM402147;CCC(CF)COCOC;NNQNATDODHXPQC-UHFFFAOYSA-N;150.19;1.6;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4_P1";;;;;;;1.37;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM402148;MM402148;C=CC=CNC(=O)C(=O)O;DNWADISQGYYJHR-UHFFFAOYSA-N;141.13;-0.11;;;;;DOPC;MDCG;27;0;"MARTINI bead: P3_C4";;;;;;;0.23;;-5.19;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM402149;MM402149;COCOCC(CN)CN;SAHLQLKBKFBYOI-UHFFFAOYSA-N;148.21;-0.86;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1_P3";;;;;;;-1.93;;-7.36;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM402150;MM402150;O=c1nnc(=O)c(F)n[nH]1;UWUHXOJQLLYJGP-UHFFFAOYSA-N;144.07;-1.94;;;;;DOPC;MDCG;27;-1;"MARTINI bead: SP3_SP4";;;;;;;-3.15;;-8.1;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM402151;MM402151;COCOCC(CN)CO;VQPDMVQRDHTXDV-UHFFFAOYSA-N;149.19;-0.83;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1_P2";;;;;;;-1.06;;-6.19;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM402152;MM402152;Cc1noc(=N)nnc1=N;BSROFKLKCRYPRF-UHFFFAOYSA-N;139.12;-1.27;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP2_SP3";;;;;;;-2.2;;-5.19;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM402153;MM402153;COCOCC(CN)CF;YPUIKJVXDXPHNS-UHFFFAOYSA-N;151.18;0.15;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1_P1";;;;;;;-0.79;;-5.79;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM402154;MM402154;Cc1noc(=O)nnc1=N;ZGIWXLVSLRBRRZ-UHFFFAOYSA-N;140.1;-1.39;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP2_SP3";;;;;;;-2.2;;-5.19;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM402155;MM402155;COCOCC(CO)CO;AGSRSPBSATZLDU-UHFFFAOYSA-N;150.17;-0.79;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_P2";;;;;;;-1.34;;-4.31;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM402156;MM402156;N=c1nnc(=N)c(F)no1;WMRVCJQSZFAVOX-UHFFFAOYSA-N;143.08;-1.44;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP3_SP3";;;;;;;-3.07;;-6.15;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM402157;MM402157;CCC(COCCO)NC;KJWYQAYUVVUFAG-UHFFFAOYSA-N;147.22;-0.01;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nda_P1";;;;;;;0.04;;-5.22;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM402158;MM402158;N=c1nnc(=O)onc1F;NVWWTBJGVNFDJF-UHFFFAOYSA-N;144.07;-1.56;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP3_SP3";;;;;;;-3.07;;-6.15;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM402159;MM402159;CNC(CN)COCCN;FSNACKJWCCFDKW-UHFFFAOYSA-N;147.22;-1.49;;;;;DOPC;MDCG;27;1;"MARTINI bead: P3_P2";;;;;;;-2.2;;-7.59;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM402160;MM402160;Cc1noc(=N)nnc1=O;JBKHYSJIJMVIMN-UHFFFAOYSA-N;140.1;-1.39;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP2_SP3";;;;;;;-2.2;;-5.19;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM402161;MM402161;CNC(CO)COCCN;FWKLCIAIIKRROC-UHFFFAOYSA-N;148.21;-1.46;;;;;DOPC;MDCG;27;1;"MARTINI bead: P2_P2";;;;;;;-1.34;;-6.53;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM402162;MM402162;Cc1noc(=O)nnc1=O;HGEVLLKMPDCHRB-UHFFFAOYSA-N;141.09;-1.51;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP2_SP3";;;;;;;-2.2;;-5.19;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM402163;MM402163;CNC(CO)COCCO;XKFULZQNZLSEHS-UHFFFAOYSA-N;149.19;-1.42;;;;;DOPC;MDCG;27;1;"MARTINI bead: P2_P2";;;;;;;-1.34;;-6.07;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM402164;MM402164;N=c1nnc(=O)c(F)no1;ZTQVGKJHVSPMPT-UHFFFAOYSA-N;144.07;-1.56;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP3_SP3";;;;;;;-3.07;;-6.15;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM402165;MM402165;CNC(CF)COCCN;GQSSHJGGGDZQLQ-UHFFFAOYSA-N;150.2;-0.48;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1_P2";;;;;;;-1.06;;-5.88;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM402166;MM402166;O=c1nnc(=O)c(F)no1;SUFSZCTUPPOQFB-UHFFFAOYSA-N;145.05;-1.68;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP3_SP3";;;;;;;-3.07;;-6.15;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM402167;MM402167;CCC(COCOC)NC;SDXLPBQERPBZRB-UHFFFAOYSA-N;147.22;0.6;;;;;DOPC;MDCG;27;1;"MARTINI bead: C5_P2";;;;;;;0.54;;-3.58;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM402168;MM402168;N=c1cnc(=O)[nH]cc1N;NLMXHRVOVLUKJX-UHFFFAOYSA-N;138.13;-1.17;;;;;DOPC;MDCG;27;1;"MARTINI bead: SP3_SP1";;;;;;;-1.93;;-8.2;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM402169;MM402169;CNC(CO)COCOC;AGNMWYICQFFEBY-UHFFFAOYSA-N;149.19;-0.81;;;;;DOPC;MDCG;27;1;"MARTINI bead: P2_P1";;;;;;;-1.06;;-5.59;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM402170;MM402170;Cn1ccn(C)cnnc1;QBCGACBABUGMDP-UHFFFAOYSA-N;138.17;0.28;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP2_SP3";;;;;;;-2.2;;-5.19;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM402171;MM402171;CCC(COCCO)OC;YTPQZZXKXMWNMF-UHFFFAOYSA-N;148.2;0.42;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4_P3";;;;;;;0.23;;-1.03;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM402172;MM402172;Cn1ccn(N)cnnc1;LZWRIMUGRPSYBH-UHFFFAOYSA-N;139.16;-0.55;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP3_SP3";;;;;;;-3.07;;-6.15;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM402173;MM402173;CCC(COCCF)OC;QOZSFRHDESZECN-UHFFFAOYSA-N;150.19;1.4;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_Na";;;;;;;0.87;;-2.22;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM402174;MM402174;Cn1ccn(O)cnnc1;WXTQYMKBCMIHJR-UHFFFAOYSA-N;140.15;-0.02;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP3_SP3";;;;;;;-3.07;;-6.15;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM402175;MM402175;CCCOCC(CN)OC;CDLMSGQTFKARAT-UHFFFAOYSA-N;147.22;0.39;;;;;DOPC;MDCG;27;1;"MARTINI bead: C3_P3";;;;;;;0.6;;-2.75;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM402176;MM402176;Nn1ccn(N)cnnc1;NMYZEOLSNGGTED-UHFFFAOYSA-N;140.15;-1.37;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP4_SP3";;;;;;;-3.15;;-6.87;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM402177;MM402177;COC(CN)COCCN;BWABFEKSLLOKET-UHFFFAOYSA-N;148.21;-1.06;;;;;DOPC;MDCG;27;1;"MARTINI bead: P2_P2";;;;;;;-1.34;;-6.63;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM402178;MM402178;Nn1ccn(O)cnnc1;PKWGXJDFIUAMIE-UHFFFAOYSA-N;141.13;-0.84;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP3_SP3";;;;;;;-3.07;;-6.15;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM402179;MM402179;COC(CN)COCCO;AMZNSZRTPSLADO-UHFFFAOYSA-N;149.19;-1.03;;;;;DOPC;MDCG;27;1;"MARTINI bead: P2_P2";;;;;;;-1.34;;-6.31;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM402180;MM402180;O=c1ccccc(=O)cc1;IRUVKAUMDKRKTH-UHFFFAOYSA-N;134.13;0.41;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC1_SNa";;;;;;;2.91;;0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM402181;MM402181;COC(CO)COCCO;AUVWPKBNYZWZJQ-UHFFFAOYSA-N;150.17;-1;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_P2";;;;;;;-1.34;;-4.31;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM402182;MM402182;CCC(C)CC1C(C)C1C;SARHKJIBPQDYLE-UHFFFAOYSA-N;140.27;3.32;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1_SN0";;;;;;;3.21;;0.46;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM402183;MM402183;COC(CO)COCCF;LFOYUWZHQKBJJH-UHFFFAOYSA-N;152.17;-0.02;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_Na";;;;;;;-0.24;;-3.24;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM402184;MM402184;CC(CN)CC1C(C)C1C;CMMMRXBYXFEARX-UHFFFAOYSA-N;141.26;1.87;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_SN0";;;;;;;1.17;;-3.86;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM402185;MM402185;COC(CF)COCCO;RDNNCDKRGXYRJA-UHFFFAOYSA-N;152.17;-0.02;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_P2";;;;;;;-0.24;;-3.24;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM402186;MM402186;CC(CF)CC1C(C)C1C;CDFGSKQZYZBOCN-UHFFFAOYSA-N;144.23;2.88;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4_SC5";;;;;;;2.97;;0.45;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM402187;MM402187;COCOCC(CN)OC;PNOCCCKOWAMPRX-UHFFFAOYSA-N;149.19;-0.42;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1_P2";;;;;;;-1.06;;-5.82;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM402188;MM402188;CCC(N)CC1C(C)C1C;WCMYBFHQADDVCY-UHFFFAOYSA-N;141.26;2.02;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_SN0";;;;;;;1.17;;-4.08;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM402189;MM402189;COC(COCCN)OC;CBEGMMFTEUNTQO-UHFFFAOYSA-N;149.19;-0.42;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1_P2";;;;;;;-1.06;;-5.86;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM402190;MM402190;CC1C(C)C1CC(N)CN;HLBUQIKRAUALEP-UHFFFAOYSA-N;142.25;0.56;;;;;DOPC;MDCG;27;1;"MARTINI bead: SN0_P4";;;;;;;-0.88;;-6.07;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM402191;MM402191;COC(COCCF)OC;RTRKMDIXZNWMOK-UHFFFAOYSA-N;152.17;0.59;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_Na";;;;;;;0.04;;-2.54;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM402192;MM402192;CC1C(C)C1CC(N)CO;MVVUEINOPLPVHP-UHFFFAOYSA-N;143.23;0.6;;;;;DOPC;MDCG;27;1;"MARTINI bead: SC5_P2";;;;;;;0.54;;-3.49;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM402193;MM402193;COCOCC(OC)OC;FSMYZIUGPPFYJC-UHFFFAOYSA-N;150.17;0.23;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_Na";;;;;;;-0.24;;-3.24;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM402194;MM402194;CC1C(C)C1CC(N)CF;QXPHIPXILAQLSO-UHFFFAOYSA-N;145.22;1.58;;;;;DOPC;MDCG;27;1;"MARTINI bead: SN0_P2";;;;;;;0.06;;-3.95;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM402195;MM402195;CCCCNC(CC)CC;KXGCICFQEZOPQK-UHFFFAOYSA-N;143.27;2.56;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_C1";;;;;;;2.91;;-1.27;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM402196;MM402196;C=NNC(CC(F)F)=NN;UPOLSFSQMYGVHA-UHFFFAOYSA-N;150.13;0.12;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_N0";;;;;;;0.34;;-1.53;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM402197;MM402197;CCC(CC)NCCCN;FFZJNUPJGAZQKN-UHFFFAOYSA-N;144.26;1.11;;;;;DOPC;MDCG;27;1;"MARTINI bead: C1_P3";;;;;;;0.94;;-2.95;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM402198;MM402198;CC1C(C)C1CC(O)CN;UBRFSDJWRRMBJR-UHFFFAOYSA-N;143.23;0.6;;;;;DOPC;MDCG;27;1;"MARTINI bead: SC5_P2";;;;;;;0.54;;-3.26;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM402199;MM402199;CCC(CC)NCCCO;RZURCWYBNICDHD-UHFFFAOYSA-N;145.25;1.15;;;;;DOPC;MDCG;27;1;"MARTINI bead: C5_Nda";;;;;;;1.64;;-2.92;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM402200;MM402200;CC1C(C)C1CC(O)CO;CWQKKLXFGHRDGF-UHFFFAOYSA-N;144.21;0.63;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC5_P3";;;;;;;-0.33;;-2.01;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM402201;MM402201;CCC(CC)NCCCF;FSERYEOBQTWVFB-UHFFFAOYSA-N;147.24;2.12;;;;;DOPC;MDCG;27;1;"MARTINI bead: C5_C4";;;;;;;2.97;;-0.41;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM402202;MM402202;CC1C(C)C1CC(O)CF;YBKWTRALOFTMKF-UHFFFAOYSA-N;146.21;1.61;;;;;DOPC;MDCG;27;0;"MARTINI bead: SN0_P2";;;;;;;0.06;;-2.21;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM402203;MM402203;CCCCNC(CC)CN;NFZGXGTVEREEKQ-UHFFFAOYSA-N;144.26;1.11;;;;;DOPC;MDCG;27;1;"MARTINI bead: C1_P2";;;;;;;1.8;;-1.87;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM402204;MM402204;CCC(F)CC1C(C)C1C;REGGTEXNDZJNNM-UHFFFAOYSA-N;144.23;3.03;;;;;DOPC;MDCG;27;0;"MARTINI bead: C2_SC5";;;;;;;3.6;;0.34;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM402205;MM402205;CCC(CN)NCCCN;HUVXVKWAZGROKD-UHFFFAOYSA-N;145.25;-0.34;;;;;DOPC;MDCG;27;1;"MARTINI bead: P2_Nd";;;;;;;-0.24;;-5.89;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM402206;MM402206;CC1C(C)C1CC(F)CN;TZTIJTVCDBYROA-UHFFFAOYSA-N;145.22;1.58;;;;;DOPC;MDCG;27;1;"MARTINI bead: SC5_P1";;;;;;;0.81;;-2.01;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM402207;MM402207;CCC(CN)NCCCO;PWORMVVGNRMVTN-UHFFFAOYSA-N;146.23;-0.3;;;;;DOPC;MDCG;27;1;"MARTINI bead: P2_Nda";;;;;;;-0.24;;-5.88;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM402208;MM402208;CC1C(C)C1CC(F)CO;BIOUWECJEZDCET-UHFFFAOYSA-N;146.21;1.61;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC5_P1";;;;;;;0.81;;-0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM402209;MM402209;CCCCNC(CC)CO;AXOMBJNAKPSAEX-UHFFFAOYSA-N;145.25;1.15;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_Nda";;;;;;;0.87;;-4.75;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM402210;MM402210;CC1C(C)C1CC(F)CF;JVAQRSVCUBCXFJ-UHFFFAOYSA-N;148.2;2.59;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC5_Na";;;;;;;1.64;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM402211;MM402211;CCC(CO)NCCCO;XTEGMVNGTDCKQI-UHFFFAOYSA-N;147.22;-0.27;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nda_P2";;;;;;;-0.24;;-5.62;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM402212;MM402212;CCC(C)CC1C(C)C1N;HRCKSHRBEKMVMG-UHFFFAOYSA-N;141.26;2.02;;;;;DOPC;MDCG;27;1;"MARTINI bead: C1_SNd";;;;;;;2.91;;-0.44;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM402213;MM402213;CCCCNC(CC)CF;FFHJBMCVFVLBFJ-UHFFFAOYSA-N;147.24;2.12;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_C4";;;;;;;2.2;;-1.33;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM402214;MM402214;CC(CN)CC1C(C)C1N;XZVUFSWMFSVYNM-UHFFFAOYSA-N;142.25;0.56;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_SNd";;;;;;;0.87;;-5.16;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM402215;MM402215;CCC(CF)NCCCN;QUMAXGBMLJNNHJ-UHFFFAOYSA-N;148.23;0.67;;;;;DOPC;MDCG;27;1;"MARTINI bead: C4_P3";;;;;;;0.23;;-3.5;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM402216;MM402216;CCC(CF)NCCCF;IEOQSKYUDOPYHS-UHFFFAOYSA-N;151.2;1.68;;;;;DOPC;MDCG;27;1;"MARTINI bead: C4_P1";;;;;;;1.37;;-1.49;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM402217;MM402217;CC(CF)CC1C(C)C1N;OXYVLRPCHXOFJQ-UHFFFAOYSA-N;145.22;1.58;;;;;DOPC;MDCG;27;1;"MARTINI bead: C4_SNd";;;;;;;2.2;;-2.09;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM402218;MM402218;CCCCNC(CN)CN;FQSLRIRCWQNPPY-UHFFFAOYSA-N;145.25;-0.34;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_P2";;;;;;;-0.24;;-5.67;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM402219;MM402219;CCC(N)CC1C(C)C1N;ODCYONGDSKDBAY-UHFFFAOYSA-N;142.25;0.71;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_SNd";;;;;;;0.87;;-5.31;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM402220;MM402220;NCC(CN)NCCCO;NLVVJJCQZICTTB-UHFFFAOYSA-N;147.22;-1.76;;;;;DOPC;MDCG;27;1;"MARTINI bead: P3_P2";;;;;;;-2.2;;-7.37;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM402221;MM402221;CC1C(N)C1CC(N)CF;ZMEJQAABTSSWMF-UHFFFAOYSA-N;146.21;0.27;;;;;DOPC;MDCG;27;1;"MARTINI bead: SNd_P2";;;;;;;-0.24;;-5.87;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM402222;MM402222;CCCCNC(CN)CO;BXKYIAQPAPVYNN-UHFFFAOYSA-N;146.23;-0.3;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_P2";;;;;;;-0.24;;-5.49;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM402223;MM402223;CCC(O)CC1C(C)C1N;PRTDNQDQRAYMEZ-UHFFFAOYSA-N;143.23;0.74;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nda_SNd";;;;;;;0.87;;-4.29;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM402224;MM402224;NCCCNC(CN)CO;UWALSLUPCQZPQE-UHFFFAOYSA-N;147.22;-1.76;;;;;DOPC;MDCG;27;1;"MARTINI bead: P3_P2";;;;;;;-2.2;;-7.69;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM402225;MM402225;CC1C(N)C1CC(O)CN;SZFVRURGNGDDPF-UHFFFAOYSA-N;144.22;-0.71;;;;;DOPC;MDCG;27;1;"MARTINI bead: SNd_P2";;;;;;;-0.24;;-5.73;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM402226;MM402226;NCC(CO)NCCCF;SCRDWCHZXGPROI-UHFFFAOYSA-N;150.2;-0.74;;;;;DOPC;MDCG;27;1;"MARTINI bead: P2_P1";;;;;;;-1.06;;-5.89;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM402227;MM402227;CCC(F)CC1C(C)C1N;LBSZRIPFBQDBGI-UHFFFAOYSA-N;145.22;1.72;;;;;DOPC;MDCG;27;1;"MARTINI bead: C2_SNd";;;;;;;2.83;;-0.62;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM402228;MM402228;NCCCNC(CN)CF;LDVBTAJUGRYSMH-UHFFFAOYSA-N;149.21;-0.78;;;;;DOPC;MDCG;27;1;"MARTINI bead: P3_P1";;;;;;;-1.93;;-7.23;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM402229;MM402229;CC1C(N)C1CC(F)CN;RYYUQXKAXHCUKW-UHFFFAOYSA-N;146.21;0.27;;;;;DOPC;MDCG;27;1;"MARTINI bead: SNd_P1";;;;;;;0.04;;-5.32;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM402230;MM402230;NCCCNC(CO)CO;OLBIYBKHCWVNIB-UHFFFAOYSA-N;148.21;-1.72;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_P4";;;;;;;-1.19;;-7.28;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM402231;MM402231;CC1C(N)C1CC(F)CF;BRKHWLPILRRUMS-UHFFFAOYSA-N;149.18;1.28;;;;;DOPC;MDCG;27;1;"MARTINI bead: SNd_Na";;;;;;;0.87;;-4.55;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM402232;MM402232;OCCCNC(CO)CO;PEAPYRRRHKZXOU-UHFFFAOYSA-N;149.19;-1.69;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nda_P4";;;;;;;-1.19;;-6.44;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM402233;MM402233;CNN=C(C=O)C=C(C)F;DBRMBABGQIMIPB-UHFFFAOYSA-N;144.15;0.63;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_C5";;;;;;;0.81;;-0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM402234;MM402234;CCC(CC)NCCNC;SOMVZZWBMCNHOX-UHFFFAOYSA-N;144.26;0.98;;;;;DOPC;MDCG;27;1;"MARTINI bead: C1_P3";;;;;;;0.94;;-2.45;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM402235;MM402235;CCC(N)CC1C(C)C1O;OXSBMNUPUCZDCI-UHFFFAOYSA-N;143.23;0.74;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_SNda";;;;;;;0.87;;-4.66;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM402236;MM402236;CCC(CF)NCCNC;XULORKXIOFILJZ-UHFFFAOYSA-N;148.23;0.54;;;;;DOPC;MDCG;27;1;"MARTINI bead: C4_P3";;;;;;;0.23;;-3.17;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM402237;MM402237;CC1C(O)C1CC(N)CN;SKNCFGMCFIVTGF-UHFFFAOYSA-N;144.22;-0.71;;;;;DOPC;MDCG;27;1;"MARTINI bead: SNda_P4";;;;;;;-1.19;;-7.03;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM402238;MM402238;CNCCNC(CN)CO;AMNORVOZUVHXNN-UHFFFAOYSA-N;147.22;-1.89;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_P4";;;;;;;-1.19;;-7.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM402239;MM402239;CC1C(O)C1CC(N)CF;HJBUCXLDCVYANC-UHFFFAOYSA-N;147.19;0.3;;;;;DOPC;MDCG;27;1;"MARTINI bead: SNda_P1";;;;;;;0.04;;-4.17;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM402240;MM402240;CNCCNC(CO)CO;ZYLPVQJKODFDHI-UHFFFAOYSA-N;148.21;-1.85;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_P4";;;;;;;-1.19;;-6.99;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM402241;MM402241;CCC(O)CC1C(C)C1O;XJZQIBLSRBEQNT-UHFFFAOYSA-N;144.21;0.77;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda_SNda";;;;;;;0.87;;-2.07;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM402242;MM402242;COCCNC(CO)CO;QHGGQCAZIJXKOZ-UHFFFAOYSA-N;149.19;-1.42;;;;;DOPC;MDCG;27;1;"MARTINI bead: Na_P4";;;;;;;-1.19;;-6.01;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM402243;MM402243;CC1C(O)C1CC(O)CF;DVMZGEMOSKVVIG-UHFFFAOYSA-N;148.18;0.33;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNda_P2";;;;;;;-0.24;;-3.31;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM402244;MM402244;CCCCOC(CC)CC;TVXVRRXTECATJB-UHFFFAOYSA-N;144.26;2.99;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1_C5";;;;;;;3.68;;0.46;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM402245;MM402245;CCC(C)CC1C(C)C1F;WQTCQLSEUHTZOH-UHFFFAOYSA-N;144.23;3.03;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1_SNa";;;;;;;2.91;;0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM402246;MM402246;CCC(CC)OCCCN;YOVWLOFZXAIWBV-UHFFFAOYSA-N;145.25;1.54;;;;;DOPC;MDCG;27;1;"MARTINI bead: C1_P2";;;;;;;1.8;;-1.6;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM402247;MM402247;CCC(N)CC1C(C)C1F;DJZVXVIHVGCXSP-UHFFFAOYSA-N;145.22;1.72;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_SNa";;;;;;;0.87;;-4.92;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM402248;MM402248;CCCCOC(CC)CN;GBCSUHMXQMZUFS-UHFFFAOYSA-N;145.25;1.54;;;;;DOPC;MDCG;27;1;"MARTINI bead: C1_P1";;;;;;;2.08;;-0.49;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM402249;MM402249;CC1C(F)C1CC(O)CO;DYMKAEIOSHQLHF-UHFFFAOYSA-N;148.18;0.33;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNa_P3";;;;;;;-1.1;;-4.2;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM402250;MM402250;CCC(CF)OCCCN;KHBULYZJROMIIJ-UHFFFAOYSA-N;149.21;1.1;;;;;DOPC;MDCG;27;1;"MARTINI bead: C4_P2";;;;;;;1.09;;-3.05;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM402251;MM402251;CCC(F)CC1C(C)C1F;MGWXZKIGXGJMTB-UHFFFAOYSA-N;148.2;2.73;;;;;DOPC;MDCG;27;0;"MARTINI bead: C2_SNa";;;;;;;2.83;;0.35;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM402252;MM402252;CCCCOC(CN)CN;GIECITFEVUSUMK-UHFFFAOYSA-N;146.23;0.09;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nda_P2";;;;;;;-0.24;;-5.35;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM402253;MM402253;CC1C(F)C1CC(F)CO;CNQUTCFGXXTZKY-UHFFFAOYSA-N;150.17;1.31;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNa_P1";;;;;;;0.04;;-2.54;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM402254;MM402254;NCCCOC(CN)CN;LAFHYHNKTUBAGF-UHFFFAOYSA-N;147.22;-1.36;;;;;DOPC;MDCG;27;1;"MARTINI bead: P2_P3";;;;;;;-2.2;;-7.93;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM402255;MM402255;CCC(C)CC1C(N)C1N;NWDLQVOUUIYYJF-UHFFFAOYSA-N;142.25;0.71;;;;;DOPC;MDCG;27;1;"MARTINI bead: C1_SP2";;;;;;;1.8;;-1.01;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM402256;MM402256;NCC(CN)OCCCO;UMPKQVAVJGAWON-UHFFFAOYSA-N;148.21;-1.33;;;;;DOPC;MDCG;27;1;"MARTINI bead: P4_Nda";;;;;;;-1.19;;-6.84;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM402257;MM402257;CC(CN)CC1C(N)C1N;BSLUSFUGSFCGNT-UHFFFAOYSA-N;143.23;-0.74;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_SP2";;;;;;;-0.24;;-6.04;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM402258;MM402258;NCC(CO)OCCCO;BZAROJCTOPFVBA-UHFFFAOYSA-N;149.19;-1.3;;;;;DOPC;MDCG;27;1;"MARTINI bead: P4_Nda";;;;;;;-1.19;;-6.54;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM402259;MM402259;CC(CO)CC1C(N)C1N;DFHOUJJGJMJETM-UHFFFAOYSA-N;144.22;-0.71;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nda_SP2";;;;;;;-0.24;;-5.42;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM402260;MM402260;NCCCOC(CO)CO;UCKUMIQVNFDMAR-UHFFFAOYSA-N;149.19;-1.3;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_P4";;;;;;;-1.19;;-7.44;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM402261;MM402261;CC(CF)CC1C(N)C1N;FSDZJZUOPFHNLC-UHFFFAOYSA-N;146.21;0.27;;;;;DOPC;MDCG;27;1;"MARTINI bead: C4_SP3";;;;;;;0.23;;-3.12;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM402262;MM402262;OCCCOC(CO)CO;FHQRIXGZTNWFPO-UHFFFAOYSA-N;150.17;-1.26;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda_P4";;;;;;;-1.19;;-4.91;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM402263;MM402263;CCC(N)CC1C(N)C1N;HWNIHUNNVLJGSN-UHFFFAOYSA-N;143.23;-0.6;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_SP2";;;;;;;-0.24;;-6.22;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM402264;MM402264;OCCCOC(CO)CF;HNCQWQANOIBPIM-UHFFFAOYSA-N;152.17;-0.28;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda_P3";;;;;;;-1.1;;-3.97;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM402265;MM402265;CCC(O)CC1C(N)C1N;XYAJILSVKJIXDP-UHFFFAOYSA-N;144.22;-0.57;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nda_SP2";;;;;;;-0.24;;-5.13;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM402266;MM402266;OCC(CF)OCCCF;WJQSJOREBOURMM-UHFFFAOYSA-N;154.16;0.69;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_P1";;;;;;;0.04;;-2.54;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM402267;MM402267;NCC(O)CC1C(N)C1N;NJCIBKQCAXOTMP-UHFFFAOYSA-N;145.21;-2.02;;;;;DOPC;MDCG;27;1;"MARTINI bead: P2_SP3";;;;;;;-2.2;;-7.49;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM402268;MM402268;CCC(CC)OCCNC;ZHZOLAVBSIDTRQ-UHFFFAOYSA-N;145.25;1.41;;;;;DOPC;MDCG;27;1;"MARTINI bead: C1_P2";;;;;;;1.8;;-1.16;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM402269;MM402269;NCC(F)CC1C(N)C1N;UVABYELRZNNQKV-UHFFFAOYSA-N;147.2;-1.04;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1_SP3";;;;;;;-1.93;;-6.89;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM402270;MM402270;CNCCOC(CN)CN;BKBLTOPVQJJCNU-UHFFFAOYSA-N;147.22;-1.49;;;;;DOPC;MDCG;27;1;"MARTINI bead: P2_P3";;;;;;;-2.2;;-7.62;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM402271;MM402271;CCC(N)CC1C(N)C1O;SWPJJWKYNVDWAT-UHFFFAOYSA-N;144.22;-0.57;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_SP2";;;;;;;-0.24;;-5.95;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM402272;MM402272;CNCCOC(CN)CO;NILMCWJRQXDZEI-UHFFFAOYSA-N;148.21;-1.46;;;;;DOPC;MDCG;27;1;"MARTINI bead: P2_P2";;;;;;;-1.34;;-6.69;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM402273;MM402273;CCC(F)CC1C(N)C1O;APFQEGMLUPZXHQ-UHFFFAOYSA-N;147.19;0.44;;;;;DOPC;MDCG;27;1;"MARTINI bead: C2_SP2";;;;;;;1.72;;-1.28;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM402274;MM402274;CNCCOC(CO)CO;RKDNGHLAVVJMKH-UHFFFAOYSA-N;149.19;-1.42;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_P4";;;;;;;-1.19;;-7.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM402275;MM402275;NCC(F)CC1C(N)C1O;XTAYEEABYBLYDM-UHFFFAOYSA-N;148.18;-1.01;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1_SP2";;;;;;;-1.06;;-5.92;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM402276;MM402276;CCC(CC)OCCOC;MGOGZMFACZUVOG-UHFFFAOYSA-N;146.23;1.84;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1_P2";;;;;;;1.8;;0.4;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM402277;MM402277;NC1C(O)C1CC(F)CO;DUWQCMFLBNPLAT-UHFFFAOYSA-N;149.17;-0.98;;;;;DOPC;MDCG;27;1;"MARTINI bead: SP2_P1";;;;;;;-1.06;;-5.79;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM402278;MM402278;CCC(CF)OCCOC;SNBZCBVFJBREFQ-UHFFFAOYSA-N;150.19;1.4;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_Na";;;;;;;0.87;;-2.22;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM402279;MM402279;NC1C(O)C1CC(F)CF;MUOQNDBZYICBRW-UHFFFAOYSA-N;151.16;;;;;;DOPC;MDCG;27;1;"MARTINI bead: SP2_Na";;;;;;;-0.24;;-5.21;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM402280;MM402280;COCCOC(CO)CO;GLTQDEMBQKJQMF-UHFFFAOYSA-N;150.17;-1;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_P4";;;;;;;-1.19;;-4.76;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM402281;MM402281;CCC(C)CC1C(N)C1F;YRDGJBWKZUKOQX-UHFFFAOYSA-N;145.22;1.72;;;;;DOPC;MDCG;27;1;"MARTINI bead: C1_SP1";;;;;;;2.08;;0.14;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM402282;MM402282;COCCOC(CO)CF;CCIRUSSHGMRVBC-UHFFFAOYSA-N;152.17;-0.02;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_Na";;;;;;;-0.24;;-3.24;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM402283;MM402283;CC(CN)CC1C(N)C1F;PMNUHEZJNAHIFF-UHFFFAOYSA-N;146.21;0.27;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_SP1";;;;;;;0.04;;-5.46;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM402284;MM402284;CCOCOC(CC)CC;LEKPXFHTUUSBNP-UHFFFAOYSA-N;146.23;2.19;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_C1";;;;;;;2.08;;0.48;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM402285;MM402285;CC(CO)CC1C(N)C1F;CCVWQQJFTNINDM-UHFFFAOYSA-N;147.19;0.3;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nda_SP1";;;;;;;0.04;;-4.02;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM402286;MM402286;CCOCOC(CC)CF;VFAXHJRGKLGRNJ-UHFFFAOYSA-N;150.19;1.75;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_C4";;;;;;;1.37;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM402287;MM402287;NCC(N)CC1C(N)C1F;JGGBYRAQXBXAMR-UHFFFAOYSA-N;147.2;-1.04;;;;;DOPC;MDCG;27;1;"MARTINI bead: P4_SP1";;;;;;;-2.01;;-7.49;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM402288;MM402288;CCOCOC(CN)CN;OKKZCNDAMHBFMZ-UHFFFAOYSA-N;148.21;-0.72;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1_P3";;;;;;;-1.93;;-6.73;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM402289;MM402289;CCC(C)CC1C(O)C1O;IPMNARDMYIJPKN-UHFFFAOYSA-N;144.21;0.77;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1_SP2";;;;;;;1.8;;0.4;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM402290;MM402290;CCOCOC(CN)CO;FTVPRGQCUXDOCR-UHFFFAOYSA-N;149.19;-0.68;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1_P2";;;;;;;-1.06;;-5.53;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM402291;MM402291;NCC(N)CC1C(O)C1O;LDRHAKLLXRRGLB-UHFFFAOYSA-N;146.19;-1.99;;;;;DOPC;MDCG;27;1;"MARTINI bead: P4_SP2";;;;;;;-2.29;;-8.03;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM402292;MM402292;COC(CN)OCCCO;IERSNFYYRHSSAK-UHFFFAOYSA-N;149.19;-0.68;;;;;DOPC;MDCG;27;1;"MARTINI bead: P5_Nda";;;;;;;-1.11;;-6.89;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM402293;MM402293;CCC(O)CC1C(O)C1O;PGWAEFKTOYZSBO-UHFFFAOYSA-N;146.19;-0.5;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda_SP2";;;;;;;-0.24;;-3.31;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM402294;MM402294;COC(CO)OCCCO;QXOFNNUPPSTGDD-UHFFFAOYSA-N;150.17;-0.65;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_P1";;;;;;;-1.06;;-3.82;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM402295;MM402295;CNC(C)CC1C(C)C1C;GMAFBWQGXIBWHC-UHFFFAOYSA-N;141.26;1.89;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_SN0";;;;;;;1.17;;-4.23;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM402296;MM402296;CCCCOC(CF)OC;DJNOPJSWGYTDGW-UHFFFAOYSA-N;150.19;1.75;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_Na";;;;;;;0.87;;-2.22;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM402297;MM402297;CNC(C)CC1C(C)C1N;CCYFVQMQBFKIAP-UHFFFAOYSA-N;142.25;0.58;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_SNd";;;;;;;0.87;;-5.42;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM402298;MM402298;CNCCOC(CN)OC;VCLYPNJYUUPDQN-UHFFFAOYSA-N;148.21;-0.85;;;;;DOPC;MDCG;27;1;"MARTINI bead: P2_P2";;;;;;;-1.34;;-6.63;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM402299;MM402299;CNC(C)CC1C(C)C1O;XDTGETJUYNEMKH-UHFFFAOYSA-N;143.23;0.61;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_SNda";;;;;;;0.87;;-4.82;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM402300;MM402300;CNCCOC(CO)OC;RQPSBHVTBCWERN-UHFFFAOYSA-N;149.19;-0.81;;;;;DOPC;MDCG;27;1;"MARTINI bead: P2_P2";;;;;;;-1.34;;-6.58;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM402301;MM402301;CNC(C)CC1C(N)C1N;WJAUNYGOBGMECO-UHFFFAOYSA-N;143.23;-0.73;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_SP2";;;;;;;-0.24;;-6.35;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM402302;MM402302;COCCOC(CN)OC;JJZYHKKSTYHZRP-UHFFFAOYSA-N;149.19;-0.42;;;;;DOPC;MDCG;27;1;"MARTINI bead: Na_P5";;;;;;;-1.11;;-6.75;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM402303;MM402303;CNC(C)CC1C(N)C1O;NEAADDCNNDVEGX-UHFFFAOYSA-N;144.22;-0.7;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_SP2";;;;;;;-0.24;;-6.09;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM402304;MM402304;COCCOC(CF)OC;HPONANOLYGNVLN-UHFFFAOYSA-N;152.17;0.59;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_Na";;;;;;;0.04;;-2.54;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM402305;MM402305;COC(C)CC1C(C)C1C;SLDPCUVLDDGAKK-UHFFFAOYSA-N;142.24;2.31;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_SC5";;;;;;;1.64;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM402306;MM402306;CCCCCN(CC)CC;YZULHOOBWDXEOT-UHFFFAOYSA-N;143.27;2.52;;;;;DOPC;MDCG;27;1;"MARTINI bead: C1_C5";;;;;;;3.68;;0.54;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM402307;MM402307;COC(C)CC1C(C)C1N;IWBPOKNMRRWMAA-UHFFFAOYSA-N;143.23;1;;;;;DOPC;MDCG;27;1;"MARTINI bead: Na_SNd";;;;;;;0.87;;-4.56;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM402308;MM402308;CCN(CC)CCCCN;JILXUIANNUALRZ-UHFFFAOYSA-N;144.26;1.07;;;;;DOPC;MDCG;27;1;"MARTINI bead: C5_Nd";;;;;;;1.64;;-3.05;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM402309;MM402309;COC(C)CC1C(C)C1O;KVNBSBNXKWZASK-UHFFFAOYSA-N;144.21;1.04;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_SNda";;;;;;;0.87;;-1.99;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM402310;MM402310;CCN(CC)CCCCO;KHYKXDSWXWVQTA-UHFFFAOYSA-N;145.25;1.1;;;;;DOPC;MDCG;27;1;"MARTINI bead: C5_Nda";;;;;;;1.64;;-2.49;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM402311;MM402311;COC(C)CC1C(O)C1O;NHGLEPSOKYTAEL-UHFFFAOYSA-N;146.19;-0.24;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_SP2";;;;;;;-0.24;;-3.24;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM402312;MM402312;CCN(CC)CCCNC;SMJVVYQWUFKTKZ-UHFFFAOYSA-N;144.26;0.94;;;;;DOPC;MDCG;27;1;"MARTINI bead: C5_Nd";;;;;;;1.64;;-2.85;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM402313;MM402313;CCC(C)NC1C(C)C1C;KFSCOZQSDVIOID-UHFFFAOYSA-N;141.26;2.03;;;;;DOPC;MDCG;27;1;"MARTINI bead: C1_SNd";;;;;;;2.91;;-0.95;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM402314;MM402314;CCN(CC)CCCOC;YOSZVGLIFGVSOL-UHFFFAOYSA-N;145.25;1.36;;;;;DOPC;MDCG;27;1;"MARTINI bead: C5_Na";;;;;;;1.64;;-2.54;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM402315;MM402315;CC(CN)NC1C(C)C1C;DZZJWCYAAGJVHK-UHFFFAOYSA-N;142.25;0.58;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_SNd";;;;;;;0.87;;-4.84;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM402316;MM402316;CCNCCN(CC)CC;HDCAZTXEZQWTIJ-UHFFFAOYSA-N;144.26;0.94;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_C5";;;;;;;1.64;;-2.53;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM402317;MM402317;CC(CO)NC1C(C)C1C;ZZLQTPRVAITEPG-UHFFFAOYSA-N;143.23;0.61;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nda_SNd";;;;;;;0.87;;-4.4;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM402318;MM402318;CCOCCN(CC)CC;IYFPJGYLQRTWNR-UHFFFAOYSA-N;145.25;1.36;;;;;DOPC;MDCG;27;1;"MARTINI bead: Na_C5";;;;;;;1.64;;-1.95;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM402319;MM402319;CC(CF)NC1C(C)C1C;IPBQRJAQDZWLQZ-UHFFFAOYSA-N;145.22;1.59;;;;;DOPC;MDCG;27;1;"MARTINI bead: C4_SNd";;;;;;;2.2;;-0.97;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM402320;MM402320;C=CCCCC(CC)CC;MKRMLNKSXZPIFY-UHFFFAOYSA-N;140.27;3.78;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1_C1";;;;;;;4.95;;0.69;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM402321;MM402321;CCC(C)NC1C(C)C1N;LOAFGGFKGFVRLW-UHFFFAOYSA-N;142.25;0.72;;;;;DOPC;MDCG;27;1;"MARTINI bead: C1_SP2";;;;;;;1.8;;-1.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM402322;MM402322;CCC(CC)CCCC=O;JUEZKARWXNYGFK-UHFFFAOYSA-N;142.24;2.79;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1_C5";;;;;;;3.68;;0.46;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM402323;MM402323;CCC(C)NC1C(C)C1O;LSGQVCLPSVLDFS-UHFFFAOYSA-N;143.23;0.75;;;;;DOPC;MDCG;27;1;"MARTINI bead: C1_SP2";;;;;;;1.8;;-1.27;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM402324;MM402324;CCC(CC)CCCC#N;LZPKTTVBODFAPL-UHFFFAOYSA-N;139.24;3.12;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1_N0";;;;;;;3.21;;0.46;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM402325;MM402325;CCC(C)NC1C(C)C1F;MNWDZYXTCMGQCK-UHFFFAOYSA-N;145.22;1.73;;;;;DOPC;MDCG;27;1;"MARTINI bead: C1_SP1";;;;;;;2.08;;0.05;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM402326;MM402326;C=CCCCC(CC)CN;VGOMMQQWQCWVBU-UHFFFAOYSA-N;141.26;2.33;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_C1";;;;;;;2.91;;-0.57;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM402327;MM402327;CCC(C)NC1C(N)C1N;RZTJZWHEFHBTIX-UHFFFAOYSA-N;143.23;-0.59;;;;;DOPC;MDCG;27;1;"MARTINI bead: C1_SP3";;;;;;;0.94;;-1.79;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM402328;MM402328;C=CC(=O)CC(C#N)NC;WUGJSFBODKDOGB-UHFFFAOYSA-N;138.17;0.24;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_Na";;;;;;;-0.24;;-3.24;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM402329;MM402329;CC(CN)NC1C(N)C1N;UTWSAMXGWWGSCC-UHFFFAOYSA-N;144.22;-2.04;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_SP3";;;;;;;-1.1;;-6.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM402330;MM402330;CNN=CC(=O)C=CC#N;UWNVJNKAZNHLMP-UHFFFAOYSA-N;137.14;-0.16;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_N0";;;;;;;0.34;;-1.53;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM402331;MM402331;CCC(C)NC1C(N)C1O;GLDUICYTHVHTRK-UHFFFAOYSA-N;144.22;-0.56;;;;;DOPC;MDCG;27;1;"MARTINI bead: C1_SP3";;;;;;;0.94;;-1.62;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM402332;MM402332;C=CCCCC(CC)CF;IMJOZURKIOUGIL-UHFFFAOYSA-N;144.23;3.34;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4_C1";;;;;;;4.24;;0.42;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM402333;MM402333;CCC(C)NC1C(O)C1O;KUVLGPSECWZNMX-UHFFFAOYSA-N;145.2;-0.52;;;;;DOPC;MDCG;27;1;"MARTINI bead: C1_SP3";;;;;;;0.94;;-1.34;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM402334;MM402334;CCC(CF)CCCC#N;BVICQZJVVHZUNY-UHFFFAOYSA-N;143.21;2.68;;;;;DOPC;MDCG;27;0;"MARTINI bead: C2_P1";;;;;;;2;;0.29;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM402335;MM402335;CCC(C)OC1C(C)C1C;IGHPYGYPWJRZGV-UHFFFAOYSA-N;142.24;2.46;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1_SNa";;;;;;;2.91;;0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM402336;MM402336;C=CCCCC(CN)CN;LNXZMBBUQZDVQT-UHFFFAOYSA-N;142.25;0.88;;;;;DOPC;MDCG;27;1;"MARTINI bead: P3_C1";;;;;;;0.94;;-2.5;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM402337;MM402337;CC(CO)OC1C(C)C1C;BMXADOQMEOSPMS-UHFFFAOYSA-N;144.21;1.04;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda_SNa";;;;;;;0.87;;-1.99;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM402338;MM402338;C=CCCCC(CN)CF;INHGHXDKJXQBIX-UHFFFAOYSA-N;145.22;1.89;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1_C1";;;;;;;2.08;;-1.11;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM402339;MM402339;CCC(C)OC1C(C)C1N;BPLKHCNWJODLCZ-UHFFFAOYSA-N;143.23;1.15;;;;;DOPC;MDCG;27;1;"MARTINI bead: C1_SP2";;;;;;;1.8;;-0.78;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM402340;MM402340;O=CCCCC(CF)CF;JGZCMASMENMDCX-UHFFFAOYSA-N;150.17;1.91;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_C5";;;;;;;1.64;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM402341;MM402341;CCC(C)OC1C(C)C1O;SPMQMBHFRZXROJ-UHFFFAOYSA-N;144.21;1.18;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1_SP2";;;;;;;1.8;;0.4;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM402342;MM402342;CCC(CC)CCNC=N;XKGNEKUKURQECV-UHFFFAOYSA-N;142.25;2.01;;;;;DOPC;MDCG;27;1;"MARTINI bead: C1_P2";;;;;;;1.8;;-3.28;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM402343;MM402343;CC(CO)OC1C(C)C1O;IOOARIYCAZPRQI-UHFFFAOYSA-N;146.19;-0.24;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda_SP2";;;;;;;-0.24;;-3.31;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM402344;MM402344;CCON=C(C)N=CNN;GYWGQHBUPJKVBJ-UHFFFAOYSA-N;144.18;-0.15;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_P4";;;;;;;-0.41;;-2.77;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM402345;MM402345;CC(CO)OC1C(N)C1N;XKPPWZWSKBELOY-UHFFFAOYSA-N;146.19;-1.58;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nda_SP3";;;;;;;-1.1;;-5.29;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM402346;MM402346;CCC(CF)CCNC=N;PFLXSUDCOCYZHX-UHFFFAOYSA-N;146.21;1.57;;;;;DOPC;MDCG;27;1;"MARTINI bead: C2_P3";;;;;;;0.86;;-4.23;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM402347;MM402347;CC(CO)OC1C(N)C1O;URNVUTITGXWAHV-UHFFFAOYSA-N;147.17;-1.55;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nda_SP3";;;;;;;-1.1;;-5.16;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM402348;MM402348;NCC(CN)CCNC=O;HJWWVUWKWAGTBX-UHFFFAOYSA-N;145.21;-1.34;;;;;DOPC;MDCG;27;1;"MARTINI bead: P2_P3";;;;;;;-2.2;;-7.62;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM402349;MM402349;COC(C)OC1C(C)C1C;SKSHCEUVMBCPRM-UHFFFAOYSA-N;144.21;1.65;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_SNa";;;;;;;0.87;;-2.22;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM402350;MM402350;NCC(CO)CCNC=O;KLQXBFJTUQKPTA-UHFFFAOYSA-N;146.19;-1.31;;;;;DOPC;MDCG;27;1;"MARTINI bead: P2_P3";;;;;;;-2.2;;-7.31;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM402351;MM402351;COC(C)OC1C(N)C1N;ZOMKMRMPHGSEST-UHFFFAOYSA-N;146.19;-0.97;;;;;DOPC;MDCG;27;1;"MARTINI bead: Na_SP3";;;;;;;-1.1;;-5.51;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM402352;MM402352;NCC(CF)CCNC=O;SXJYPFXJABLWGE-UHFFFAOYSA-N;148.18;-0.33;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nda_P3";;;;;;;-1.1;;-6.36;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM402353;MM402353;CCN(C)CC1C(C)C1C;JJQWUZIAEOEGFN-UHFFFAOYSA-N;141.26;1.84;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_SC5";;;;;;;1.64;;-2.61;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM402354;MM402354;O=CNCCC(CO)CO;KFJCPVYETVYZCZ-UHFFFAOYSA-N;147.17;-1.28;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_P3";;;;;;;-2.2;;-5.19;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM402355;MM402355;CCN(C)CC1C(C)C1O;YJTZSFBNNFZDDC-UHFFFAOYSA-N;143.23;0.56;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_SNda";;;;;;;0.87;;-4.03;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM402356;MM402356;C=NNCCC(CC)CC;MSUKWMPPIFOLGT-UHFFFAOYSA-N;142.25;2.02;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1_P2";;;;;;;1.8;;0.41;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM402357;MM402357;CCN(C)CC1C(C)C1F;XWMWQDSWBVCIBM-UHFFFAOYSA-N;145.22;1.54;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_SNa";;;;;;;0.87;;-4.05;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM402358;MM402358;C=NNCCC(CC)CN;XUZPZAKAPNSKSE-UHFFFAOYSA-N;143.23;0.57;;;;;DOPC;MDCG;27;1;"MARTINI bead: C5_P2";;;;;;;0.54;;-3.88;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM402359;MM402359;CCN(C)CC1C(N)C1O;IBHXBMKSHYCTRJ-UHFFFAOYSA-N;144.22;-0.74;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_SP2";;;;;;;-0.24;;-5.14;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM402360;MM402360;CC(=NOC=O)NC=CF;BSMBAZLGQCXOGI-UHFFFAOYSA-N;146.12;0.52;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_P2";;;;;;;0.54;;-1.09;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM402361;MM402361;CCN(C)CC1C(O)C1O;CORCBKOLYAMMPF-UHFFFAOYSA-N;145.2;-0.71;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_SP2";;;;;;;-0.24;;-4.68;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM402362;MM402362;C=NNCCC(CF)CF;JSKKTNPGMDPQGA-UHFFFAOYSA-N;150.17;1.14;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_P2";;;;;;;0.54;;-1.09;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM402363;MM402363;CC(CN)CC1C(C)N1C;SRKSBQBJZPBLCN-UHFFFAOYSA-N;142.25;0.67;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_SNd";;;;;;;0.87;;-4.94;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM402364;MM402364;C=COCCC(CC)CC;WOYYGNKNKPISDO-UHFFFAOYSA-N;142.24;2.97;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1_Na";;;;;;;2.91;;0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM402365;MM402365;CCC(N)CC1C(C)N1C;ABRWWRHZCGHERI-UHFFFAOYSA-N;142.25;0.82;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_SNd";;;;;;;0.87;;-4.83;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM402366;MM402366;CCC(CC)CCOC=O;QRUIQNDKAAKDIN-UHFFFAOYSA-N;144.21;1.99;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1_P1";;;;;;;2.08;;0.48;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM402367;MM402367;CC1C(CC(N)CN)N1C;WAVOIMBDBMTOFV-UHFFFAOYSA-N;143.23;-0.64;;;;;DOPC;MDCG;27;1;"MARTINI bead: SNd_P3";;;;;;;-1.1;;-6.16;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM402368;MM402368;C=COCCC(CC)CN;ROKQMRKVVRXJRI-UHFFFAOYSA-N;143.23;1.52;;;;;DOPC;MDCG;27;1;"MARTINI bead: C5_Na";;;;;;;1.64;;-2.74;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM402369;MM402369;CC1C(CC(N)CO)N1C;BGSFWFKTCNZDTQ-UHFFFAOYSA-N;144.22;-0.6;;;;;DOPC;MDCG;27;1;"MARTINI bead: SNd_P2";;;;;;;-0.24;;-5.24;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM402370;MM402370;CCC(CN)CCOC=O;XMHWPDTXUMARIZ-UHFFFAOYSA-N;145.2;0.53;;;;;DOPC;MDCG;27;1;"MARTINI bead: C5_P1";;;;;;;0.81;;-3.29;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM402371;MM402371;CC1C(CC(N)CF)N1C;HWIOCVYLJKWJMS-UHFFFAOYSA-N;146.21;0.38;;;;;DOPC;MDCG;27;1;"MARTINI bead: SNd_P1";;;;;;;0.04;;-4.05;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM402372;MM402372;C=COCCC(CC)CO;IBBBCPMLJDVKOB-UHFFFAOYSA-N;144.21;1.56;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_Na";;;;;;;1.64;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM402373;MM402373;CC1C(CC(O)CN)N1C;XLPSMOWIKUOALQ-UHFFFAOYSA-N;144.22;-0.6;;;;;DOPC;MDCG;27;1;"MARTINI bead: SNd_P2";;;;;;;-0.24;;-5.34;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM402374;MM402374;CCC(CO)CCOC=O;MWQLROXDUVHDSF-UHFFFAOYSA-N;146.19;0.57;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_P1";;;;;;;0.81;;-0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM402375;MM402375;CC#CC12CCC(O)(C1)C2;MUMDGBFZAFZBJY-UHFFFAOYSA-N;136.19;1.31;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC2_SNda";;;;;;;2.83;;0.57;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM402376;MM402376;C=COCCC(CC)CF;ZRCVTXAPMOGLQE-UHFFFAOYSA-N;146.21;2.53;;;;;DOPC;MDCG;27;0;"MARTINI bead: C2_Na";;;;;;;2.83;;0.35;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM402377;MM402377;CC1C(CC(F)CN)N1C;SYGGCHNTBUOHRX-UHFFFAOYSA-N;146.21;0.38;;;;;DOPC;MDCG;27;1;"MARTINI bead: SNd_P1";;;;;;;0.04;;-4.15;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM402378;MM402378;C=COCCC(CN)CN;DOFJYFXRNRDDRD-UHFFFAOYSA-N;144.22;0.07;;;;;DOPC;MDCG;27;1;"MARTINI bead: P2_Na";;;;;;;-0.24;;-5.99;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM402379;MM402379;CC(C)CC=NN=CNN;HWGFYNFSCNDEMP-UHFFFAOYSA-N;142.21;0.51;;;;;DOPC;MDCG;27;0;"MARTINI bead: C3_P2";;;;;;;1.46;;-0.15;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM402380;MM402380;NCC(CN)CCOC=O;IZXIAWCZTVTUMP-UHFFFAOYSA-N;146.19;-0.92;;;;;DOPC;MDCG;27;1;"MARTINI bead: P2_P1";;;;;;;-1.06;;-6.57;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM402381;MM402381;CC1C(CC(F)CF)N1C;HWLMPNUQEYPERU-UHFFFAOYSA-N;149.18;1.39;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNd_Na";;;;;;;0.87;;-1.88;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM402382;MM402382;NCC(CO)CCOC=O;AJOVHNGZNIKXCK-UHFFFAOYSA-N;147.17;-0.88;;;;;DOPC;MDCG;27;1;"MARTINI bead: P2_P1";;;;;;;-1.06;;-6.25;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM402383;MM402383;CNC(C)CC1C(C)N1C;MQRVPBSXZCZCNT-UHFFFAOYSA-N;142.25;0.69;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_SNd";;;;;;;0.87;;-4.95;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM402384;MM402384;C=COCCC(CN)CF;XFVGCYBOFGFZOY-UHFFFAOYSA-N;147.19;1.08;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1_C5";;;;;;;0.81;;-3.21;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM402385;MM402385;CCN(C)CC1C(C)N1C;GFLSTWJDPISNHX-UHFFFAOYSA-N;142.25;0.64;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_SNd";;;;;;;0.87;;-3.74;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM402386;MM402386;C=COCCC(CO)CO;SSLGTUMUBVGBIJ-UHFFFAOYSA-N;146.19;0.14;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda_P1";;;;;;;0.04;;-2.73;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM402387;MM402387;CC(CN)CN1C(C)C1C;NDDFFHGQIPHMCL-UHFFFAOYSA-N;142.25;0.67;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_SNd";;;;;;;0.87;;-4.6;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM402388;MM402388;O=COCCC(CO)CF;QJNVFZPARLOJCJ-UHFFFAOYSA-N;150.15;0.13;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda_P1";;;;;;;0.04;;-2.73;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM402389;MM402389;CCC(N)CN1C(C)C1C;GIGIFAVLLFVKKX-UHFFFAOYSA-N;142.25;0.82;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_SNd";;;;;;;0.87;;-4.35;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM402390;MM402390;O=COCCC(CF)CF;QDFZIXMJZOHWRQ-UHFFFAOYSA-N;152.14;1.1;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_P1";;;;;;;0.81;;-0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM402391;MM402391;CC1C(C)N1CC(O)CN;ITEOZSIXUMINGH-UHFFFAOYSA-N;144.22;-0.6;;;;;DOPC;MDCG;27;1;"MARTINI bead: SNd_P3";;;;;;;-1.1;;-5.77;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM402392;MM402392;C=NOCCC(CC)CC;OEDMOHQBRUJVKW-UHFFFAOYSA-N;143.23;2.44;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1_P1";;;;;;;2.08;;0.48;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM402393;MM402393;CC(F)CC=NN=CNN;CQGPACGLSSYVKZ-UHFFFAOYSA-N;146.17;0.21;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_P2";;;;;;;0.54;;-1.09;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM402394;MM402394;C=NOCCC(CC)CN;FSNCKPIIVMOOOV-UHFFFAOYSA-N;144.22;0.99;;;;;DOPC;MDCG;27;1;"MARTINI bead: C5_P1";;;;;;;0.81;;-3.29;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM402395;MM402395;CCC(F)CN1C(C)C1C;WHQHHMFMEUBFSX-UHFFFAOYSA-N;145.22;1.83;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4_SNd";;;;;;;2.2;;0.32;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM402396;MM402396;C=CC(F)C(=N)NC=CF;WUAXLHNZHVWAKE-UHFFFAOYSA-N;146.14;1.52;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda_Nda";;;;;;;0.87;;-2.07;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM402397;MM402397;C=C(C)CC=NN=CNN;BRDBXSHSJDOTTC-UHFFFAOYSA-N;140.19;0.43;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1_P4";;;;;;;0.85;;-0.64;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM402398;MM402398;C=NOCCC(CN)CO;DAYCVTKHAJZPJO-UHFFFAOYSA-N;146.19;-0.42;;;;;DOPC;MDCG;27;1;"MARTINI bead: P2_P1";;;;;;;-1.06;;-6.25;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM402399;MM402399;CNC(C)CN1C(C)C1C;SDWHAYWAPLZYQY-UHFFFAOYSA-N;142.25;0.69;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_SNd";;;;;;;0.87;;-4.73;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM402400;MM402400;C=NOCCC(CF)CF;HLPMHRUFFQDTLC-UHFFFAOYSA-N;151.16;1.56;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_P1";;;;;;;0.81;;-0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM402401;MM402401;CC(C=O)CC1C(C)C1C;CRUMRLWHPRQAFO-UHFFFAOYSA-N;140.23;2.11;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_SC5";;;;;;;1.64;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM402402;MM402402;C=CCCCC(CC)NC;ZJXLOGCWHLNRKN-UHFFFAOYSA-N;141.26;2.34;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_C1";;;;;;;2.91;;-1.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM402403;MM402403;CC(C#N)CC1C(C)C1C;QQHPWTCSFIZYMY-UHFFFAOYSA-N;137.23;2.44;;;;;DOPC;MDCG;27;0;"MARTINI bead: N0_SC5";;;;;;;1.94;;0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM402404;MM402404;CCC(CCCC=O)NC;VBXBKAKDAOUPDD-UHFFFAOYSA-N;143.23;1.35;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_C5";;;;;;;1.64;;-3.13;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM402405;MM402405;C=CC(N)CC1C(C)C1C;ZSHXJMDYNGLLJO-UHFFFAOYSA-N;139.24;1.79;;;;;DOPC;MDCG;27;1;"MARTINI bead: SC5_Nd";;;;;;;1.64;;-2.38;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM402406;MM402406;CCC(CCCC#N)NC;ZXKFUJLUYPEXJX-UHFFFAOYSA-N;140.23;1.68;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_N0";;;;;;;1.17;;-4.37;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM402407;MM402407;C=C(C)C(=O)CNCC#N;RCSDGXAJHLJFKT-UHFFFAOYSA-N;138.17;0.24;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_P2";;;;;;;-0.24;;-3.24;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM402408;MM402408;C=CCCCC(CN)NC;IXECVJBPXUBPLI-UHFFFAOYSA-N;142.25;0.89;;;;;DOPC;MDCG;27;1;"MARTINI bead: P3_C1";;;;;;;0.94;;-2.55;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM402409;MM402409;CC1C(C)C1CC(O)C=O;YMHKCEDWOPXJKV-UHFFFAOYSA-N;142.2;0.84;;;;;DOPC;MDCG;27;0;"MARTINI bead: SN0_P2";;;;;;;0.06;;-2.21;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM402410;MM402410;CNC(CO)CCCC=O;NERBDIKYWPHWIQ-UHFFFAOYSA-N;145.2;-0.06;;;;;DOPC;MDCG;27;1;"MARTINI bead: P2_Na";;;;;;;-0.24;;-5.73;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM402411;MM402411;CC1C(C)C1CC(O)C#N;LMYSOCLRRXFQOC-UHFFFAOYSA-N;139.2;1.16;;;;;DOPC;MDCG;27;0;"MARTINI bead: SN0_P3";;;;;;;-0.8;;-2.99;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM402412;MM402412;CNC(CF)CCCC=O;IXZDSXPUPVBQDZ-UHFFFAOYSA-N;147.19;0.91;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1_C5";;;;;;;0.81;;-2.05;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM402413;MM402413;C=CC(F)CC1C(C)C1C;JFVGHPHAONFRTP-UHFFFAOYSA-N;142.22;2.8;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC5_C4";;;;;;;2.97;;0.45;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM402414;MM402414;CNC(CN)CCNC=N;MZZZXBCTSCXYTQ-UHFFFAOYSA-N;144.22;-0.88;;;;;DOPC;MDCG;27;1;"MARTINI bead: P2_P3";;;;;;;-2.2;;-9.13;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM402415;MM402415;CC1C(C)C1CC(F)C=O;NOITUZBLUSFLGQ-UHFFFAOYSA-N;144.19;1.82;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC5_P1";;;;;;;0.81;;-0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM402416;MM402416;CNC(CO)CCNC=N;RDMCVAJITDGRNR-UHFFFAOYSA-N;145.21;-0.85;;;;;DOPC;MDCG;27;1;"MARTINI bead: P2_P3";;;;;;;-2.2;;-9.13;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM402417;MM402417;CC1C(C)C1CC(F)C#N;CQGYIHQZUHBSOH-UHFFFAOYSA-N;141.19;2.14;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC5_Na";;;;;;;1.64;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM402418;MM402418;CNC(CF)CCNC=N;UFFUFZJVBSKHQY-UHFFFAOYSA-N;147.2;0.13;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nda_P3";;;;;;;-1.1;;-7.92;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM402419;MM402419;C=CC(C)CC1C(C)C1N;DYLBJRWUYFGKEK-UHFFFAOYSA-N;139.24;1.79;;;;;DOPC;MDCG;27;1;"MARTINI bead: C3_SNd";;;;;;;2.57;;-1.39;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM402420;MM402420;C=NNCCC(CC)NC;PTPVCGQLTWJTMA-UHFFFAOYSA-N;143.23;0.58;;;;;DOPC;MDCG;27;1;"MARTINI bead: C5_P2";;;;;;;0.54;;-4.03;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM402421;MM402421;C=CC(F)CC1C(C)C1N;KPOMMCKEVMGDCL-UHFFFAOYSA-N;143.21;1.49;;;;;DOPC;MDCG;27;1;"MARTINI bead: SNd_C4";;;;;;;2.2;;-2.08;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM402422;MM402422;C=NNCCC(CN)NC;LGMFEBGJDDHLSF-UHFFFAOYSA-N;144.22;-0.87;;;;;DOPC;MDCG;27;1;"MARTINI bead: P2_P2";;;;;;;-1.34;;-6.6;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM402423;MM402423;CC(O)C(C)C=CC=NN;UZPMZQBJHDXOST-UHFFFAOYSA-N;142.2;0.5;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda_Nd";;;;;;;0.87;;-1.92;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM402424;MM402424;C=COCCC(CC)NC;XUKCNAPJDBFDST-UHFFFAOYSA-N;143.23;1.53;;;;;DOPC;MDCG;27;1;"MARTINI bead: C5_Na";;;;;;;1.64;;-3.04;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM402425;MM402425;CC1C(O)C1CC(O)C=O;WTBJDRANIJBMKI-UHFFFAOYSA-N;144.17;-0.44;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNda_P2";;;;;;;-0.24;;-3.31;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM402426;MM402426;CCC(CCOC=O)NC;KUZWOUALYWRVFH-UHFFFAOYSA-N;145.2;0.55;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_Na";;;;;;;0.87;;-5;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM402427;MM402427;CC1C(O)C1CC(O)C#N;CGCWGSMQAFMZCV-UHFFFAOYSA-N;141.17;-0.11;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNda_P2";;;;;;;-0.24;;-3.31;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM402428;MM402428;C=COCCC(CN)NC;DIFHSTSVFQEZJH-UHFFFAOYSA-N;144.22;0.08;;;;;DOPC;MDCG;27;1;"MARTINI bead: P2_Na";;;;;;;-0.24;;-5.86;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM402429;MM402429;C=CC(F)CC1C(C)C1O;DXCZCPRUVTVMBB-UHFFFAOYSA-N;144.19;1.53;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNda_C4";;;;;;;2.2;;0.49;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM402430;MM402430;CNC(CO)CCOC=O;VYRWZRZUTIEYEN-UHFFFAOYSA-N;147.17;-0.87;;;;;DOPC;MDCG;27;1;"MARTINI bead: P2_P1";;;;;;;-1.06;;-6.2;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM402431;MM402431;CC1C(O)C1CC(F)C=O;ZPUCLGOHYSCZSJ-UHFFFAOYSA-N;146.16;0.54;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNda_P1";;;;;;;0.04;;-2.73;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM402432;MM402432;C=NOCCC(CC)NC;FFKWZAMBNFLUIO-UHFFFAOYSA-N;144.22;1.01;;;;;DOPC;MDCG;27;1;"MARTINI bead: C5_P1";;;;;;;0.81;;-3.59;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM402433;MM402433;CC1C(O)C1CC(F)C#N;FKUZCVYDEOLSGF-UHFFFAOYSA-N;143.16;0.86;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNda_Na";;;;;;;0.87;;-1.99;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM402434;MM402434;C=CCCCC(CC)OC;PQKJDWOSDABBQB-UHFFFAOYSA-N;142.24;2.77;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_C1";;;;;;;2.91;;0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM402435;MM402435;C=CC(C)CC1C(C)C1F;TTYPWQKNGWXACQ-UHFFFAOYSA-N;142.22;2.8;;;;;DOPC;MDCG;27;0;"MARTINI bead: C3_SNa";;;;;;;2.57;;0.45;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM402436;MM402436;CCC(CCCC=O)OC;GFAYPEJUGVGXMM-UHFFFAOYSA-N;144.21;1.78;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_C5";;;;;;;1.64;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM402437;MM402437;CC(C=O)CC1C(C)C1F;SVRCCNBAXAOANN-UHFFFAOYSA-N;144.19;1.82;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_SNa";;;;;;;0.87;;-2.22;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM402438;MM402438;CCC(CCCC#N)OC;NVVCRXHQCUNCLW-UHFFFAOYSA-N;141.21;2.11;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_N0";;;;;;;1.17;;-1.18;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM402439;MM402439;CC(C#N)CC1C(C)C1F;GUEUOVQCCCEZPS-UHFFFAOYSA-N;141.19;2.14;;;;;DOPC;MDCG;27;0;"MARTINI bead: N0_SNa";;;;;;;1.17;;-1.18;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM402440;MM402440;COC(CO)CCCC#N;KBCPBOOFAZTBCV-UHFFFAOYSA-N;143.19;0.69;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_N0";;;;;;;0.06;;-2.21;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM402441;MM402441;C=CC(F)CC1C(N)C1N;AAPPHUIARNPKID-UHFFFAOYSA-N;144.19;0.19;;;;;DOPC;MDCG;27;1;"MARTINI bead: SP3_C4";;;;;;;0.23;;-3.12;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM402442;MM402442;C=NNCCC(CC)OC;LSUJTXFJDGVSGR-UHFFFAOYSA-N;144.22;1.01;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_Nd";;;;;;;0.87;;-1.88;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM402443;MM402443;C=CC(C)CC1C(N)C1O;GPJHPNBTCLZNCJ-UHFFFAOYSA-N;141.21;0.52;;;;;DOPC;MDCG;27;1;"MARTINI bead: C3_SP2";;;;;;;1.46;;-2;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM402444;MM402444;C=COCCC(CC)OC;GHBYWEWMJRWZNV-UHFFFAOYSA-N;144.21;1.96;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4_Na";;;;;;;2.2;;0.34;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM402445;MM402445;C=CC(N)CC1C(N)C1O;PMOQCTZYLBMNRY-UHFFFAOYSA-N;142.2;-0.79;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_SP2";;;;;;;-0.24;;-5.53;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM402446;MM402446;CCC(CCOC=O)OC;MPMSMUZMAJBEKX-UHFFFAOYSA-N;146.19;0.97;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_Na";;;;;;;0.87;;-2.22;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM402447;MM402447;C=CC(O)CC1C(N)C1O;IORZAJNGPWKDPE-UHFFFAOYSA-N;143.19;-0.76;;;;;DOPC;MDCG;27;1;"MARTINI bead: SP2_Nda";;;;;;;-0.24;;-4.99;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM402448;MM402448;COC(CN)CCOC=O;PGILICMTIZAEJT-UHFFFAOYSA-N;147.17;-0.48;;;;;DOPC;MDCG;27;1;"MARTINI bead: P2_Na";;;;;;;-0.24;;-5.31;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM402449;MM402449;C=CC(C)CC1C(N)C1F;QTXLGINMZVGUDP-UHFFFAOYSA-N;143.21;1.49;;;;;DOPC;MDCG;27;1;"MARTINI bead: C3_SP1";;;;;;;1.74;;-0.65;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM402450;MM402450;C=COCCC(CO)OC;RCASLKMYULZRQH-UHFFFAOYSA-N;146.19;0.54;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_C5";;;;;;;0.54;;-1.09;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM402451;MM402451;C=CC(N)CC1C(N)C1F;NTLNYKCVKIEWJT-UHFFFAOYSA-N;144.19;0.19;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1_SP1";;;;;;;-0.79;;-5.64;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM402452;MM402452;COC(CO)CCOC=O;SKCIBLIBXLNSLB-UHFFFAOYSA-N;148.16;-0.44;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_Na";;;;;;;-0.24;;-3.24;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM402453;MM402453;C=CC(C)CC1C(O)C1O;VSKKBOLOBGTCMN-UHFFFAOYSA-N;142.2;0.55;;;;;DOPC;MDCG;27;0;"MARTINI bead: C3_SP2";;;;;;;1.46;;-0.15;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM402454;MM402454;COC(CCCC#N)OC;WLJHKEGWJDFXFD-UHFFFAOYSA-N;143.19;1.3;;;;;DOPC;MDCG;27;0;"MARTINI bead: N0_P1";;;;;;;0.34;;-1.53;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM402455;MM402455;CC(C#N)CC1C(O)C1O;UYKRYTUXZZNRBK-UHFFFAOYSA-N;141.17;-0.11;;;;;DOPC;MDCG;27;0;"MARTINI bead: N0_SP2";;;;;;;0.06;;-2.21;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM402456;MM402456;C=NNCCC(OC)OC;MFPCKXRZHKMCEN-UHFFFAOYSA-N;146.19;0.2;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_P2";;;;;;;-0.24;;-3.24;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM402457;MM402457;C=CC(N)CC1C(O)C1O;BNNHMGCAPDWRSI-UHFFFAOYSA-N;143.19;-0.76;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1_SP2";;;;;;;-1.06;;-5.7;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM402458;MM402458;COC(CCOC=O)OC;UDJDLBNMQPMLFK-UHFFFAOYSA-N;148.16;0.17;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_P1";;;;;;;0.04;;-2.54;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM402459;MM402459;N#CC(O)CC1C(O)C1O;QHLPQJBTFUVGAK-UHFFFAOYSA-N;143.14;-1.39;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_SP2";;;;;;;-1.34;;-4.31;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM402460;MM402460;C=CCNCC(CC)CC;FEKXEIFPWGSIQU-UHFFFAOYSA-N;141.26;2.2;;;;;DOPC;MDCG;27;1;"MARTINI bead: C1_Nd";;;;;;;2.91;;-0.43;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM402461;MM402461;N#CC(F)CC1C(O)C1O;PLKMONCPKVSNMY-UHFFFAOYSA-N;145.13;-0.41;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP2_Na";;;;;;;-0.24;;-3.24;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM402462;MM402462;CCC(CC)CNCC=O;DUZDDHUHFYIDIH-UHFFFAOYSA-N;143.23;1.21;;;;;DOPC;MDCG;27;1;"MARTINI bead: C1_P2";;;;;;;1.8;;-0.36;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM402463;MM402463;C=CC(O)CC1C(O)C1F;LGQQXEDJNPLMEP-UHFFFAOYSA-N;146.16;0.25;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda_SP1";;;;;;;0.04;;-2.73;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM402464;MM402464;CCC(CC)CNCC#N;FPBLUGBZXXYNMA-UHFFFAOYSA-N;140.23;1.54;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1_P2";;;;;;;1.8;;0.43;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM402465;MM402465;C=CC(C)NC1C(C)C1C;NMHVUAQUJBHZBL-UHFFFAOYSA-N;139.24;1.8;;;;;DOPC;MDCG;27;1;"MARTINI bead: C3_SNd";;;;;;;2.57;;-1.14;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM402466;MM402466;C=CCNCC(CC)CN;XEKZCZUZAFEQDK-UHFFFAOYSA-N;142.25;0.75;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_Nd";;;;;;;0.87;;-4.82;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM402467;MM402467;CC(C#N)NC1C(C)C1C;PPSCZGBQHKISDT-UHFFFAOYSA-N;138.21;1.14;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_SNd";;;;;;;0.04;;-2.63;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM402468;MM402468;C=CCNCC(CC)CO;HNIHFRNVTMVSIO-UHFFFAOYSA-N;143.23;0.78;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nda_Nd";;;;;;;0.87;;-4.07;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM402469;MM402469;C=CC(C)NC1C(C)C1N;VIHPHXNFFZIOOT-UHFFFAOYSA-N;140.23;0.5;;;;;DOPC;MDCG;27;1;"MARTINI bead: C3_SP2";;;;;;;1.46;;-2.12;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM402470;MM402470;C=CCNCC(CC)CF;JDMRKEQXZHQFGD-UHFFFAOYSA-N;145.22;1.76;;;;;DOPC;MDCG;27;1;"MARTINI bead: C4_Nd";;;;;;;2.2;;-1.73;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM402471;MM402471;CCCC1=CC(=O)C(=N)N1;YZMGFFDLBMGPQR-UHFFFAOYSA-N;138.17;0.82;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC5_SP2";;;;;;;0.54;;-1.09;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM402472;MM402472;CCC(CF)CNCC=O;JZKBASCOEOZFQV-UHFFFAOYSA-N;147.19;0.77;;;;;DOPC;MDCG;27;1;"MARTINI bead: C4_P2";;;;;;;1.09;;-1.41;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM402473;MM402473;CC(C#N)NC1C(C)C1F;XIAQSEDTGCFONM-UHFFFAOYSA-N;142.18;0.84;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_SNa";;;;;;;-0.24;;-3.24;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM402474;MM402474;C=CCNCC(CN)CN;HEZXEVYUIPMFHK-UHFFFAOYSA-N;143.23;-0.7;;;;;DOPC;MDCG;27;1;"MARTINI bead: P3_Nd";;;;;;;-1.1;;-6.46;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM402475;MM402475;C=CC(C)NC1C(N)C1O;JXWJPUYEUJIUEV-UHFFFAOYSA-N;142.2;-0.78;;;;;DOPC;MDCG;27;1;"MARTINI bead: C3_SP3";;;;;;;0.6;;-2.1;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM402476;MM402476;C=CCNCC(CN)CO;ICNPWZLZQSGQQS-UHFFFAOYSA-N;144.22;-0.67;;;;;DOPC;MDCG;27;1;"MARTINI bead: P2_P1";;;;;;;-1.06;;-6.09;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM402477;MM402477;CC=C1CCC(C)(CO)C1;PUVNJJJFAHIEDF-UHFFFAOYSA-N;140.23;2.12;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC1_SC5";;;;;;;3.68;;0.46;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM402478;MM402478;C=CCNCC(CN)CF;WEADUPSWEWKRMY-UHFFFAOYSA-N;146.21;0.31;;;;;DOPC;MDCG;27;1;"MARTINI bead: Na_P2";;;;;;;-0.24;;-5.75;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM402479;MM402479;CC1(CO)CCC(=CF)C1;NEJMIRXZJGJYTQ-UHFFFAOYSA-N;144.19;2.02;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC5_SC4";;;;;;;2.97;;0.45;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM402480;MM402480;CC#CCC(O)C(C)CC;TWRMHEAAQGOWAP-UHFFFAOYSA-N;140.23;1.81;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1_Nda";;;;;;;2.91;;0.57;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM402481;MM402481;C=CC(C)OC1C(C)C1C;PNCTZHPKRWZNHY-UHFFFAOYSA-N;140.23;2.23;;;;;DOPC;MDCG;27;0;"MARTINI bead: C3_SNa";;;;;;;2.57;;0.45;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM402482;MM402482;C=CCNCC(CF)CF;RMCLDPIOCUEZKJ-UHFFFAOYSA-N;149.18;1.32;;;;;DOPC;MDCG;27;1;"MARTINI bead: Na_Nd";;;;;;;0.87;;-3.84;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM402483;MM402483;CC(C#N)OC1C(C)C1C;KIXKIMCWCJRIJS-UHFFFAOYSA-N;139.2;1.57;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_SNa";;;;;;;0.04;;-2.54;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM402484;MM402484;N#CCNCC(CF)CF;BIRKDOMCDBIGKQ-UHFFFAOYSA-N;148.16;0.65;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_P2";;;;;;;-0.24;;-3.24;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM402485;MM402485;CC1C(C)C1CN(C)C=O;IUDSPHOKMQWPSK-UHFFFAOYSA-N;141.21;0.98;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC5_P2";;;;;;;0.54;;-1.09;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM402486;MM402486;CCC(CC)CNNC=N;YPHSDJIZMOZKGW-UHFFFAOYSA-N;143.23;1.12;;;;;DOPC;MDCG;27;1;"MARTINI bead: C1_P4";;;;;;;0.85;;-3.4;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM402487;MM402487;CC1C(C)C1CN(N)C=N;CMAIBIMFFDJHOQ-UHFFFAOYSA-N;141.22;0.67;;;;;DOPC;MDCG;27;1;"MARTINI bead: SC5_P3";;;;;;;-0.33;;-4.58;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM402488;MM402488;CNN=CC(=O)C(C)=CN;OHQVHFIGYJGUNU-UHFFFAOYSA-N;141.17;-0.38;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda_P2";;;;;;;-0.24;;-3.31;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM402489;MM402489;CC1C(C)C1CN(N)C=O;FEENQTRWYHICOJ-UHFFFAOYSA-N;142.2;0.22;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC5_P4";;;;;;;-0.41;;-2.78;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM402490;MM402490;CCC(CN)CNNC=N;LZDVHFICVDYHMY-UHFFFAOYSA-N;144.22;-0.33;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_P4";;;;;;;-1.19;;-7.71;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM402491;MM402491;CC1C(C)C1CN(O)C=N;QZZJPXBYZUWRER-UHFFFAOYSA-N;142.2;1.19;;;;;DOPC;MDCG;27;1;"MARTINI bead: SC5_P2";;;;;;;0.54;;-2.25;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM402492;MM402492;CCC(CN)CNNC=O;YGIPHJNIGJIXDK-UHFFFAOYSA-N;145.21;-0.78;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_P4";;;;;;;-1.19;;-6.98;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM402493;MM402493;CC1C(C)C1CN(O)C=O;MQFBRFFCYOXSQZ-UHFFFAOYSA-N;143.19;0.74;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC5_P3";;;;;;;-0.33;;-2.01;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM402494;MM402494;CCC(CO)CNNC=N;QPJLFCDSFRQFCI-UHFFFAOYSA-N;145.21;-0.29;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nda_P4";;;;;;;-1.19;;-7.6;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM402495;MM402495;CC1C(N)C1CN(O)C=N;PXLPTTDXLZCBJA-UHFFFAOYSA-N;143.19;-0.12;;;;;DOPC;MDCG;27;1;"MARTINI bead: SNd_P2";;;;;;;-0.24;;-4.77;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM402496;MM402496;CC=C(F)CC#CC=NN;VOBXTTILAWCHIO-UHFFFAOYSA-N;140.16;1.2;;;;;DOPC;MDCG;27;0;"MARTINI bead: C3_P1";;;;;;;1.74;;0.29;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM402497;MM402497;CC1C(O)C1CN(C)C=N;PGVDIUWTRRLLRM-UHFFFAOYSA-N;142.2;0.15;;;;;DOPC;MDCG;27;1;"MARTINI bead: SNda_P2";;;;;;;-0.24;;-7.55;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM402498;MM402498;N=CNNCC(CN)CN;XJIYWIJOKVTMCO-UHFFFAOYSA-N;145.21;-1.78;;;;;DOPC;MDCG;27;1;"MARTINI bead: P2_P4";;;;;;;-2.29;;-8.77;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM402499;MM402499;CC1C(O)C1CN(C)C=O;HDWUITCLBPDMFO-UHFFFAOYSA-N;143.19;-0.3;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNda_P2";;;;;;;-0.24;;-3.31;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM402500;MM402500;NCC(CN)CNNC=O;IARCJLNIHJQSFZ-UHFFFAOYSA-N;146.19;-2.23;;;;;DOPC;MDCG;27;1;"MARTINI bead: P2_P4";;;;;;;-2.29;;-8.01;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM402501;MM402501;CC1C(O)C1CN(N)C=N;AIULVNSTHDXNRR-UHFFFAOYSA-N;143.19;-0.6;;;;;DOPC;MDCG;27;1;"MARTINI bead: SNda_P3";;;;;;;-1.1;;-6.49;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM402502;MM402502;NCC(CO)CNNC=O;KMAOQAYSJGNRFI-UHFFFAOYSA-N;147.18;-2.2;;;;;DOPC;MDCG;27;1;"MARTINI bead: P2_P4";;;;;;;-2.29;;-7.71;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM402503;MM402503;CCC1(C)CC(C=O)=NN1;UDKIOFILFVZKKB-UHFFFAOYSA-N;140.19;0.7;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNd_SP1";;;;;;;0.04;;-2.63;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM402504;MM402504;N=CNNCC(CO)CF;CCCYIFMDMAFFTN-UHFFFAOYSA-N;149.17;-0.73;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nda_P4";;;;;;;-1.19;;-7.6;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM402505;MM402505;CC1C(O)C1CN(O)C=N;QPBSDGPKUCVZNV-UHFFFAOYSA-N;144.17;-0.09;;;;;DOPC;MDCG;27;1;"MARTINI bead: SNda_P2";;;;;;;-0.24;;-4.43;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM402506;MM402506;N#CCON=CC(F)CF;IZHUDPRPMHSKIJ-UHFFFAOYSA-N;148.11;0.82;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_Na";;;;;;;0.87;;-2.22;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM402507;MM402507;CC1C(O)C1CN(O)C=O;SXGOFAGRVSUTHG-UHFFFAOYSA-N;145.16;-0.54;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNda_P3";;;;;;;-1.1;;-3.97;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM402508;MM402508;C=CCNCC(CC)NC;UOHUANYMMIITRL-UHFFFAOYSA-N;142.25;0.76;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_Nd";;;;;;;0.87;;-4.56;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM402509;MM402509;CC1C(F)C1CN(C)C=O;DUHPOSMXFUMXQW-UHFFFAOYSA-N;145.18;0.68;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNa_P2";;;;;;;-0.24;;-3.24;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM402510;MM402510;CCC(CNCC#N)NC;FHUQEBMJPDSXSW-UHFFFAOYSA-N;141.22;0.1;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_P2";;;;;;;-0.24;;-5.51;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM402511;MM402511;CC1C(F)C1CN(N)C=N;PQXQGOXZOIDLOG-UHFFFAOYSA-N;145.18;0.37;;;;;DOPC;MDCG;27;1;"MARTINI bead: SNa_P3";;;;;;;-1.1;;-6.71;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM402512;MM402512;C=CCNCC(CN)NC;YIVLKOJBUMXXBS-UHFFFAOYSA-N;143.23;-0.69;;;;;DOPC;MDCG;27;1;"MARTINI bead: P3_Nd";;;;;;;-1.1;;-5.87;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM402513;MM402513;CC1C(F)C1CN(N)C=O;OOEXHZBOJKXPOC-UHFFFAOYSA-N;146.17;-0.08;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNa_P4";;;;;;;-1.19;;-4.76;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM402514;MM402514;CNC(CO)CNCC=O;RNNUXNBVASKTBG-UHFFFAOYSA-N;146.19;-1.64;;;;;DOPC;MDCG;27;1;"MARTINI bead: P2_P2";;;;;;;-1.34;;-5.84;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM402515;MM402515;CN(C=O)CC1C(N)C1N;ULLBIVHHCVMJQB-UHFFFAOYSA-N;143.19;-1.64;;;;;DOPC;MDCG;27;1;"MARTINI bead: P2_SP3";;;;;;;-2.2;;-6.85;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM402516;MM402516;CNC(CO)CNCC#N;ZTTFLDZRMCVVDB-UHFFFAOYSA-N;143.19;-1.32;;;;;DOPC;MDCG;27;1;"MARTINI bead: P2_P2";;;;;;;-1.34;;-5.92;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM402517;MM402517;N=CN(O)CC1C(N)C1N;ZZJRYEKSRYMZLF-UHFFFAOYSA-N;144.18;-1.43;;;;;DOPC;MDCG;27;1;"MARTINI bead: SP3_P2";;;;;;;-2.2;;-6.49;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM402518;MM402518;CCC(CNNC=N)NC;WXJBDFFVNBAYIA-UHFFFAOYSA-N;144.22;-0.31;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_P4";;;;;;;-1.19;;-7.67;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM402519;MM402519;CN(C=N)CC1C(N)C1O;VILRTGPKWUBMLC-UHFFFAOYSA-N;143.19;-1.16;;;;;DOPC;MDCG;27;1;"MARTINI bead: P2_SP2";;;;;;;-1.34;;-8.6;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM402520;MM402520;CNC(CN)CNNC=N;ODBUOONXTPIQLF-UHFFFAOYSA-N;145.21;-1.77;;;;;DOPC;MDCG;27;1;"MARTINI bead: P2_P4";;;;;;;-2.29;;-8.74;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM402521;MM402521;CN(C=O)CC1C(N)C1O;VJEZSKXATJBCEQ-UHFFFAOYSA-N;144.17;-1.61;;;;;DOPC;MDCG;27;1;"MARTINI bead: P2_SP2";;;;;;;-1.34;;-5.85;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM402522;MM402522;CNC(CN)CNNC=O;KFNATFDDIDDXBH-UHFFFAOYSA-N;146.19;-2.22;;;;;DOPC;MDCG;27;1;"MARTINI bead: P2_P4";;;;;;;-2.29;;-7.47;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM402523;MM402523;N=CN(O)CC1C(N)C1O;UNRSBCQLGYYHAA-UHFFFAOYSA-N;145.16;-1.4;;;;;DOPC;MDCG;27;1;"MARTINI bead: SP2_P2";;;;;;;-1.34;;-5.56;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM402524;MM402524;CNC(CO)CNNC=O;LPLLRANYHIJKTH-UHFFFAOYSA-N;147.18;-2.18;;;;;DOPC;MDCG;27;1;"MARTINI bead: P2_P4";;;;;;;-2.29;;-7.28;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM402525;MM402525;CN(C=N)CC1C(O)C1O;KAMDQLUIUNRDJB-UHFFFAOYSA-N;144.17;-1.12;;;;;DOPC;MDCG;27;1;"MARTINI bead: P2_SP2";;;;;;;-1.34;;-8.59;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM402526;MM402526;CNC(CF)CNNC=N;RZQYHHNSSTYBNI-UHFFFAOYSA-N;148.19;-0.75;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nda_P4";;;;;;;-1.19;;-7.6;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM402527;MM402527;CN(C=O)CC1C(O)C1O;SRLCGBIPFUFCEJ-UHFFFAOYSA-N;145.16;-1.57;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_SP2";;;;;;;-1.34;;-4.31;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM402528;MM402528;C=CCNCC(CC)OC;GCKIDIRDIJCQNT-UHFFFAOYSA-N;143.23;1.19;;;;;DOPC;MDCG;27;1;"MARTINI bead: Na_Nd";;;;;;;0.87;;-3.72;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM402529;MM402529;N=CN(N)CC1C(O)C1O;DDKGXYUSHJZSBQ-UHFFFAOYSA-N;145.16;-1.88;;;;;DOPC;MDCG;27;1;"MARTINI bead: P3_SP2";;;;;;;-2.2;;-7.65;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM402530;MM402530;C=CCNCC(CN)OC;VGKPWZGUFLGCDQ-UHFFFAOYSA-N;144.22;-0.26;;;;;DOPC;MDCG;27;1;"MARTINI bead: P2_Nd";;;;;;;-0.24;;-5.08;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM402531;MM402531;CCC(=O)CC1(C#N)CN1;GMVINNCCIOACBQ-UHFFFAOYSA-N;138.17;0.22;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_SP2";;;;;;;-0.24;;-3.24;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM402532;MM402532;C=CCNCC(CO)OC;MBECWHQVCMSTOC-UHFFFAOYSA-N;145.2;-0.23;;;;;DOPC;MDCG;27;1;"MARTINI bead: P2_Nd";;;;;;;-0.24;;-4.48;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM402533;MM402533;N=CN(N)CC1C(O)C1F;KFAUEJJXZUUMBC-UHFFFAOYSA-N;147.15;-0.9;;;;;DOPC;MDCG;27;1;"MARTINI bead: P3_SP1";;;;;;;-1.93;;-7.18;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM402534;MM402534;COC(CF)CNCC#N;GKWYQTNXALHKHV-UHFFFAOYSA-N;146.17;0.08;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_P2";;;;;;;-0.24;;-3.24;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM402535;MM402535;C#CCNC(=N)C(F)C#C;TYBMUNYSIKXZBF-UHFFFAOYSA-N;138.15;0.16;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_N0";;;;;;;0.34;;-1.53;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM402536;MM402536;COC(CN)CNNC=N;OKQYMMNJXXMTQV-UHFFFAOYSA-N;146.19;-1.34;;;;;DOPC;MDCG;27;1;"MARTINI bead: P2_P4";;;;;;;-2.29;;-8.74;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM402537;MM402537;CNN=CC(=O)C(F)=CN;RZIYLDFEKNBLPN-UHFFFAOYSA-N;145.14;-0.47;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_Nda";;;;;;;0.04;;-2.73;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM402538;MM402538;COC(CN)CNNC=O;MQIWZNMNIWWOIH-UHFFFAOYSA-N;147.18;-1.79;;;;;DOPC;MDCG;27;1;"MARTINI bead: P2_P4";;;;;;;-2.29;;-7.36;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM402539;MM402539;C=NN(C)CC1C(N)C1N;XSZHRKBEDHYRLK-UHFFFAOYSA-N;142.21;-1.18;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1_SP3";;;;;;;-1.93;;-6.48;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM402540;MM402540;C=NN(C)CC1C(N)C1O;XGJGVIMVAFBGGB-UHFFFAOYSA-N;143.19;-1.15;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1_SP2";;;;;;;-1.06;;-5.46;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM402541;MM402541;CC#CCC1CC1(O)CC;JORDVPCNBLCBEA-UHFFFAOYSA-N;138.21;1.56;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNda_C4";;;;;;;2.2;;0.49;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM402542;MM402542;CC=CC=CCC(O)CC;HSUMYWHOMYSDEE-UHFFFAOYSA-N;140.23;2.28;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda_C1";;;;;;;2.91;;0.57;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM402543;MM402543;COC(CNNC=N)OC;FHFXGARLXGEFEJ-UHFFFAOYSA-N;147.18;-0.69;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1_P4";;;;;;;-2.01;;-7.96;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM402544;MM402544;CC1C(C)C1NN(C)C=N;SWKXBXGEFRJLFM-UHFFFAOYSA-N;141.22;0.68;;;;;DOPC;MDCG;27;1;"MARTINI bead: SC5_P3";;;;;;;-0.33;;-4.79;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM402545;MM402545;CC#CC(=NC=NC)NN;HSJYHRIBIUSAPY-UHFFFAOYSA-N;138.17;-0.47;;;;;DOPC;MDCG;27;0;"MARTINI bead: N0_P1";;;;;;;0.34;;-1.53;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM402546;MM402546;CC1C(C)C1NN(C)C=O;ALTNTCZCYYYCBM-UHFFFAOYSA-N;142.2;0.23;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC5_P4";;;;;;;-0.41;;-2.78;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM402547;MM402547;C=CCOCC(CC)CC;NRBBEBVRWSNPTA-UHFFFAOYSA-N;142.24;2.63;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1_Na";;;;;;;2.91;;0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM402548;MM402548;CC1C(N)C1NN(C)C=O;VJOLTTFGRQENTI-UHFFFAOYSA-N;143.19;-1.08;;;;;DOPC;MDCG;27;1;"MARTINI bead: SNd_P4";;;;;;;-1.19;;-6.25;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM402549;MM402549;CCC(CC)COCC=O;UTTUZNUKYQPBMJ-UHFFFAOYSA-N;144.21;1.64;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1_P1";;;;;;;2.08;;0.48;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM402550;MM402550;CC1C(O)C1NN(C)C=N;BYRRYIGQCWUBMC-UHFFFAOYSA-N;143.19;-0.59;;;;;DOPC;MDCG;27;1;"MARTINI bead: SNda_P3";;;;;;;-1.1;;-6.73;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM402551;MM402551;CCC(CC)COCC#N;CZRKXZLONLVTKG-UHFFFAOYSA-N;141.21;1.96;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1_P1";;;;;;;2.08;;0.48;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM402552;MM402552;CN(C=N)NC1C(O)C1O;MVCWUPFEKZSOLE-UHFFFAOYSA-N;145.16;-1.87;;;;;DOPC;MDCG;27;1;"MARTINI bead: P3_SP2";;;;;;;-2.2;;-7.94;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM402553;MM402553;C=CCOCC(CC)CN;RJZXEYQOLDMJBV-UHFFFAOYSA-N;143.23;1.17;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_Na";;;;;;;0.87;;-4.62;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM402554;MM402554;CC1C(C)C1ON(C)C=N;OXWVUUNOYVTJCB-UHFFFAOYSA-N;142.2;1.11;;;;;DOPC;MDCG;27;1;"MARTINI bead: SC5_P2";;;;;;;0.54;;-2.45;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM402555;MM402555;C=CCOCC(CC)CO;GQMFFFILLAJSLU-UHFFFAOYSA-N;144.21;1.21;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda_Na";;;;;;;0.87;;-1.99;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM402556;MM402556;CC1C(C)C1ON(C)C=O;MXYMFMZGLDWSLR-UHFFFAOYSA-N;143.19;0.66;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC5_P3";;;;;;;-0.33;;-2.01;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM402557;MM402557;C=CCOCC(CC)CF;RNHRZOCYTRNVBZ-UHFFFAOYSA-N;146.21;2.18;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4_Na";;;;;;;2.2;;0.34;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM402558;MM402558;CC1C(N)C1ON(C)C=N;PHTWALAJWZWKAM-UHFFFAOYSA-N;143.19;-0.2;;;;;DOPC;MDCG;27;1;"MARTINI bead: SNd_P2";;;;;;;-0.24;;-4.64;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM402559;MM402559;CCC(CF)COCC=O;TWOQHOADDBEMKW-UHFFFAOYSA-N;148.18;1.2;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4_P1";;;;;;;1.37;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM402560;MM402560;CC1C(N)C1ON(C)C=O;PHWWPJLTICNXNI-UHFFFAOYSA-N;144.17;-0.65;;;;;DOPC;MDCG;27;1;"MARTINI bead: SNd_P3";;;;;;;-1.1;;-5.34;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM402561;MM402561;CCC(CF)COCC#N;YHXOVTMLOOWPBE-UHFFFAOYSA-N;145.18;1.52;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4_P1";;;;;;;1.37;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM402562;MM402562;CN(C=N)OC1C(N)C1N;GFEHAPGQLQKOGP-UHFFFAOYSA-N;144.18;-1.51;;;;;DOPC;MDCG;27;1;"MARTINI bead: P2_SP3";;;;;;;-2.2;;-6.57;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM402563;MM402563;C=CCOCC(CN)CN;FKRAFTQXWPWHHS-UHFFFAOYSA-N;144.22;-0.28;;;;;DOPC;MDCG;27;1;"MARTINI bead: P3_Na";;;;;;;-1.1;;-6.84;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM402564;MM402564;CCC(C)C=NN=CNN;GJUHZKRDWFXWNE-UHFFFAOYSA-N;142.21;0.51;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1_P4";;;;;;;0.85;;-0.64;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM402565;MM402565;C=CCOCC(CN)CO;DVFZILQSUGCCHD-UHFFFAOYSA-N;145.2;-0.24;;;;;DOPC;MDCG;27;1;"MARTINI bead: P2_Na";;;;;;;-0.24;;-5.6;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM402566;MM402566;C=CC(N)CC1C(C)N1C;MCPMANXYCDQNKN-UHFFFAOYSA-N;140.23;0.59;;;;;DOPC;MDCG;27;1;"MARTINI bead: SNd_Nd";;;;;;;0.87;;-4.26;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM402567;MM402567;C=CCOCC(CO)CO;YKEKXBFJZUBLHB-UHFFFAOYSA-N;146.19;-0.21;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_Na";;;;;;;-0.24;;-3.24;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM402568;MM402568;CC(C=NN=CNN)CF;UVHSNYJOOOUQJS-UHFFFAOYSA-N;146.17;0.07;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4_P4";;;;;;;0.15;;-2.18;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM402569;MM402569;O=CCOCC(CO)CO;OGPPANAMXMRQIE-UHFFFAOYSA-N;148.16;-1.2;;;;;DOPC;MDCG;27;0;"MARTINI bead: P3_P1";;;;;;;-1.93;;-4.72;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM402570;MM402570;C=CC(C)C=NN=CNN;UTDKUUFCGCPLMH-UHFFFAOYSA-N;140.19;0.29;;;;;DOPC;MDCG;27;0;"MARTINI bead: C2_P4";;;;;;;0.77;;-0.87;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM402571;MM402571;O=CCOCC(CO)CF;ZEQSNJQZQYHCTK-UHFFFAOYSA-N;150.15;-0.22;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_P1";;;;;;;-0.79;;-3.13;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM402572;MM402572;C#CC(C)C=NN=CNN;PUYLZAGPEDYQGP-UHFFFAOYSA-N;138.17;-0.27;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_P2";;;;;;;0.54;;-1.09;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM402573;MM402573;CCC(CN)CONC=N;NBOMZHXGGKCICK-UHFFFAOYSA-N;145.21;0.1;;;;;DOPC;MDCG;27;1;"MARTINI bead: C5_P4";;;;;;;-0.41;;-5.19;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM402574;MM402574;CC1C(CC(F)C#N)N1C;IJAVUXPERYZOIT-UHFFFAOYSA-N;142.18;0.94;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNd_Na";;;;;;;0.87;;-1.88;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM402575;MM402575;CCC(CO)CONC=N;AKAYZELVZRRFMP-UHFFFAOYSA-N;146.19;0.13;;;;;DOPC;MDCG;27;1;"MARTINI bead: C5_P3";;;;;;;-0.33;;-3.79;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM402576;MM402576;CC1C(CN(C)C=N)N1C;FXSCZAYTKYOEOO-UHFFFAOYSA-N;141.22;0.23;;;;;DOPC;MDCG;27;1;"MARTINI bead: SNd_P2";;;;;;;-0.24;;-7.28;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM402577;MM402577;CCC(CO)CONC=O;DSUQJYRJUWLBFS-UHFFFAOYSA-N;147.17;-0.32;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda_P2";;;;;;;-0.24;;-3.31;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM402578;MM402578;CC1C(CN(C)C=O)N1C;GLSCDFLYKODFMF-UHFFFAOYSA-N;142.2;-0.22;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNd_P2";;;;;;;-0.24;;-3.16;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM402579;MM402579;N=CNOCC(CO)CO;LDSJPRDAZZYPCS-UHFFFAOYSA-N;148.16;-1.28;;;;;DOPC;MDCG;27;1;"MARTINI bead: P2_P4";;;;;;;-2.29;;-7.7;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM402580;MM402580;CC1C(CN(N)C=N)N1C;UHXHLGCWZSIDEI-UHFFFAOYSA-N;142.21;-0.53;;;;;DOPC;MDCG;27;1;"MARTINI bead: SNd_P3";;;;;;;-1.1;;-6.21;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM402581;MM402581;N=CNOCC(CF)CF;WAURGKYZQDIJGP-UHFFFAOYSA-N;152.14;0.67;;;;;DOPC;MDCG;27;1;"MARTINI bead: C5_P4";;;;;;;-0.41;;-4.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM402582;MM402582;CC1C(CN(N)C=O)N1C;HIIAKXJQLJXYEZ-UHFFFAOYSA-N;143.19;-0.98;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNd_P4";;;;;;;-1.19;;-4.91;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM402583;MM402583;O=CNOCC(CF)CF;WNYXYGQKPAYKGS-UHFFFAOYSA-N;153.13;0.22;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_P2";;;;;;;-0.24;;-3.24;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM402584;MM402584;C=NN(C)CC1C(C)N1C;DCSRYXSLXVIOCH-UHFFFAOYSA-N;141.22;0.24;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNd_P1";;;;;;;0.04;;-2.63;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM402585;MM402585;C=CCOCC(CC)NC;KYFGXTIONQACAB-UHFFFAOYSA-N;143.23;1.19;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_Na";;;;;;;0.87;;-4.39;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM402586;MM402586;C=NNC(=NC)C(=O)C=O;YEPOYEFKQRRRSD-UHFFFAOYSA-N;141.13;-1.01;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_Na";;;;;;;0.04;;-2.54;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM402587;MM402587;C=CCOCC(CN)NC;SXMIOWHHCSYDCG-UHFFFAOYSA-N;144.22;-0.26;;;;;DOPC;MDCG;27;1;"MARTINI bead: P2_Na";;;;;;;-0.24;;-5.45;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM402588;MM402588;CC(C#N)CN1C(C)C1C;XTNGTYULOJRWCY-UHFFFAOYSA-N;138.21;1.24;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_SNd";;;;;;;0.04;;-2.63;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM402589;MM402589;C=CCOCC(CO)NC;JJGHABGGELLZFG-UHFFFAOYSA-N;145.2;-0.23;;;;;DOPC;MDCG;27;1;"MARTINI bead: P2_Na";;;;;;;-0.24;;-5;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM402590;MM402590;C=CC(N)CN1C(C)C1C;SWHALDPXTZEFKH-UHFFFAOYSA-N;140.23;0.59;;;;;DOPC;MDCG;27;1;"MARTINI bead: SNd_P1";;;;;;;0.04;;-4.3;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM402591;MM402591;CNC(CO)COCC=O;DVLFVQSNJRLUPW-UHFFFAOYSA-N;147.17;-1.22;;;;;DOPC;MDCG;27;1;"MARTINI bead: P2_P1";;;;;;;-1.06;;-5.49;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM402592;MM402592;C=CC(F)CN1C(C)C1C;KLHJTMSWUKQAGN-UHFFFAOYSA-N;143.21;1.6;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNd_Na";;;;;;;0.87;;-1.88;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM402593;MM402593;CCC(CONC=O)NC;ITYJZXLULQBWBU-UHFFFAOYSA-N;146.19;-0.34;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_P2";;;;;;;-0.24;;-5.73;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM402594;MM402594;C#CC(C)CC1C(C)C1C;NCQLYJJSMNQNGV-UHFFFAOYSA-N;136.24;2.55;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4_SC5";;;;;;;2.97;;0.45;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM402595;MM402595;CNC(CN)CONC=O;LESMELWWDMZTQS-UHFFFAOYSA-N;147.18;-1.79;;;;;DOPC;MDCG;27;1;"MARTINI bead: P2_P4";;;;;;;-2.29;;-8.19;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM402596;MM402596;C#CC(N)CC1C(C)C1C;QCFOSPLJEBFNKF-UHFFFAOYSA-N;137.23;1.24;;;;;DOPC;MDCG;27;1;"MARTINI bead: SC5_P1";;;;;;;0.81;;-2.3;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM402597;MM402597;C=CCOCC(CC)OC;AQGBGUMOHNVDRE-UHFFFAOYSA-N;144.21;1.61;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_Na";;;;;;;0.87;;-2.22;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM402598;MM402598;C#CC(O)CC1C(C)C1C;XXHMLSLXKMAXAY-UHFFFAOYSA-N;138.21;1.27;;;;;DOPC;MDCG;27;0;"MARTINI bead: SN0_P2";;;;;;;0.06;;-2.21;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM402599;MM402599;CCC(COCC=O)OC;NXTUANNUVHHXQB-UHFFFAOYSA-N;146.19;0.63;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4_P2";;;;;;;1.09;;-0.38;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM402600;MM402600;C#CC(F)CC1C(C)C1C;CLFCPDLAACPFCZ-UHFFFAOYSA-N;140.2;2.25;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC5_C5";;;;;;;2.41;;0.64;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM402601;MM402601;C=CCOCC(CN)OC;PGMYLUOZTYEINH-UHFFFAOYSA-N;145.2;0.16;;;;;DOPC;MDCG;27;1;"MARTINI bead: P2_Na";;;;;;;-0.24;;-5.24;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM402602;MM402602;C#CC(C)CC1C(C)C1N;IDUDWUSGPVUEKR-UHFFFAOYSA-N;137.23;1.24;;;;;DOPC;MDCG;27;1;"MARTINI bead: C4_SNd";;;;;;;2.2;;-2.09;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM402603;MM402603;COC(CO)COCC=O;ZHORECDHOFHZRG-UHFFFAOYSA-N;148.16;-0.79;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_P1";;;;;;;-1.06;;-3.82;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM402604;MM402604;C#CC(N)CC1C(C)C1N;CJCVZEVOBFTYJK-UHFFFAOYSA-N;138.21;-0.07;;;;;DOPC;MDCG;27;1;"MARTINI bead: SNd_P2";;;;;;;-0.24;;-5.87;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM402605;MM402605;C=CCOCC(CF)OC;ZPHOHUWXOWRIKP-UHFFFAOYSA-N;148.18;1.17;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_Na";;;;;;;0.87;;-2.22;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM402606;MM402606;C#CC(O)CC1C(C)C1N;AMDGOYOKPKYITM-UHFFFAOYSA-N;139.2;-0.04;;;;;DOPC;MDCG;27;1;"MARTINI bead: SNd_P1";;;;;;;0.04;;-4.99;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM402607;MM402607;CCC(CONC=N)OC;PCVMRTVICYQEPZ-UHFFFAOYSA-N;146.19;0.54;;;;;DOPC;MDCG;27;1;"MARTINI bead: C4_P4";;;;;;;0.15;;-3.91;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM402608;MM402608;C#CC(F)CC1C(C)C1N;RLVVMZWDLLPBJY-UHFFFAOYSA-N;141.19;0.94;;;;;DOPC;MDCG;27;1;"MARTINI bead: SNd_C5";;;;;;;1.64;;-2.56;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM402609;MM402609;CCC(CONC=O)OC;BAZPMBUBANUTGD-UHFFFAOYSA-N;147.17;0.09;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4_P4";;;;;;;0.15;;-2.18;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM402610;MM402610;CNN=CC(=NN)OC=O;JWSLTODACLWQFM-UHFFFAOYSA-N;144.13;-1.36;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_P1";;;;;;;-0.79;;-3.13;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM402611;MM402611;COC(CO)CONC=O;USRNFMNTWBSIOP-UHFFFAOYSA-N;149.15;-1.33;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_P2";;;;;;;-1.34;;-4.31;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM402612;MM402612;C#CC(N)CC1C(C)C1O;SVKYODOKWUGKSK-UHFFFAOYSA-N;139.2;-0.04;;;;;DOPC;MDCG;27;1;"MARTINI bead: SNda_P2";;;;;;;-0.24;;-4.82;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM402613;MM402613;COC(COCC=O)OC;CLALDTLAQBXAEW-UHFFFAOYSA-N;148.16;-0.18;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_P2";;;;;;;-0.24;;-3.24;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM402614;MM402614;C#CC(O)CC1C(C)C1O;AKEVEAWOXUOYMY-UHFFFAOYSA-N;140.18;;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNda_P1";;;;;;;0.04;;-2.73;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM402615;MM402615;COC(CONC=O)OC;YJYHULLJBUCMQB-UHFFFAOYSA-N;149.15;-0.72;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_P2";;;;;;;-1.06;;-3.82;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM402616;MM402616;C#CC(F)CC1C(C)C1O;FEFAZERYQXKBEE-UHFFFAOYSA-N;142.17;0.97;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNda_C5";;;;;;;1.64;;0.05;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM402617;MM402617;C=CCCNC(CC)CC;PYHVLVKGLZLVQO-UHFFFAOYSA-N;141.26;2.34;;;;;DOPC;MDCG;27;1;"MARTINI bead: C1_Nd";;;;;;;2.91;;-1.19;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM402618;MM402618;C#CC(C)CC1C(C)C1F;UEWOTAZLIXVQBW-UHFFFAOYSA-N;140.2;2.25;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4_SNa";;;;;;;2.2;;0.34;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM402619;MM402619;CCC(CC)NCCC=O;CUWBTPCSMZQPSX-UHFFFAOYSA-N;143.23;1.35;;;;;DOPC;MDCG;27;1;"MARTINI bead: C5_Na";;;;;;;1.64;;-2.78;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM402620;MM402620;C#CC(N)CC1C(N)C1N;AQXAIRSGEUPZKN-UHFFFAOYSA-N;139.2;-1.38;;;;;DOPC;MDCG;27;1;"MARTINI bead: P2_SP2";;;;;;;-1.34;;-6.59;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM402621;MM402621;CCC(CC)NCCC#N;MWQQQTMDMMVPQA-UHFFFAOYSA-N;140.23;1.68;;;;;DOPC;MDCG;27;1;"MARTINI bead: C1_P2";;;;;;;1.8;;-0.02;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM402622;MM402622;C#CC(C)CC1C(N)C1O;SRQVXCCDUXOPOB-UHFFFAOYSA-N;139.2;-0.04;;;;;DOPC;MDCG;27;1;"MARTINI bead: C5_SP2";;;;;;;0.54;;-3.05;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM402623;MM402623;C=CCCNC(CC)CN;QVFBKCKLFSHCER-UHFFFAOYSA-N;142.25;0.89;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_Nd";;;;;;;0.87;;-5.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM402624;MM402624;C#CC(N)CC1C(N)C1O;KGWOGLARGRXFDB-UHFFFAOYSA-N;140.19;-1.35;;;;;DOPC;MDCG;27;1;"MARTINI bead: P2_SP2";;;;;;;-1.34;;-6.41;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM402625;MM402625;C#CC(F)CC1C(N)C1O;CSKUNOFCWIOHHA-UHFFFAOYSA-N;143.16;-0.33;;;;;DOPC;MDCG;27;1;"MARTINI bead: SP2_C5";;;;;;;0.54;;-3.05;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM402626;MM402626;C=CCCNC(CN)CN;GZTIBIGOPWKZIH-UHFFFAOYSA-N;143.23;-0.56;;;;;DOPC;MDCG;27;1;"MARTINI bead: P3_Nd";;;;;;;-1.1;;-6.37;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM402627;MM402627;C#CC(N)CC1C(N)C1F;SBRWKGVDHKYBOM-UHFFFAOYSA-N;142.18;-0.37;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1_SP1";;;;;;;-0.79;;-5.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM402628;MM402628;C=CCCOC(CC)CC;AKHMZDGBEVMOKL-UHFFFAOYSA-N;142.24;2.77;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1_Na";;;;;;;2.91;;0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM402629;MM402629;C#CC(C)CC1C(O)C1O;ZWXIKLFOHZIVMZ-UHFFFAOYSA-N;140.18;;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4_SP2";;;;;;;1.09;;-0.38;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM402630;MM402630;CCC(CC)OCCC=O;IVAGNHVHEYKMTI-UHFFFAOYSA-N;144.21;1.78;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1_P2";;;;;;;1.8;;0.4;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM402631;MM402631;C#CC(N)CC1C(O)C1O;WAMXBHJBDQOQBG-UHFFFAOYSA-N;141.17;-1.31;;;;;DOPC;MDCG;27;1;"MARTINI bead: P2_SP2";;;;;;;-1.34;;-5.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM402632;MM402632;CCC(CC)OCCC#N;HKBUEZQEABKAPQ-UHFFFAOYSA-N;141.21;2.11;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1_P2";;;;;;;1.8;;0.4;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM402633;MM402633;C#CC(F)CC1C(O)C1O;LJDUMQPDTDXYCM-UHFFFAOYSA-N;144.15;-0.3;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP2_C5";;;;;;;0.54;;-1.09;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM402634;MM402634;C=CCCOC(CC)CN;ORIDAZXBJQKOQM-UHFFFAOYSA-N;143.23;1.32;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_Na";;;;;;;0.87;;-3.96;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM402635;MM402635;C#CC(C)CC1C(O)C1F;SRSXQIADSRMQRR-UHFFFAOYSA-N;142.17;0.97;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4_SP1";;;;;;;1.37;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM402636;MM402636;CCC(CO)OCCC=O;UWVPYHRENWICCW-UHFFFAOYSA-N;146.19;0.36;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_P2";;;;;;;0.54;;-1.09;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM402637;MM402637;C#CC(O)CC1C(O)C1F;CKTIBWRMSFHSCD-UHFFFAOYSA-N;144.15;-0.3;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_SP1";;;;;;;-0.79;;-3.13;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM402638;MM402638;C=CCCOC(CN)CO;HXJQIORNHPBXBJ-UHFFFAOYSA-N;145.2;-0.1;;;;;DOPC;MDCG;27;1;"MARTINI bead: P2_Na";;;;;;;-0.24;;-4.94;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM402639;MM402639;C#CC(F)CC1C(O)C1F;JBRZVFRASUSAII-UHFFFAOYSA-N;146.14;0.68;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP1_C5";;;;;;;0.81;;-0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM402640;MM402640;O=CCCOC(CO)CO;NCWDEGMDVPZIHE-UHFFFAOYSA-N;148.16;-1.05;;;;;DOPC;MDCG;27;0;"MARTINI bead: P4_Na";;;;;;;-1.19;;-4.76;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM402641;MM402641;C#CC(C)NC1C(C)C1C;PGAZHYDNQMCENV-UHFFFAOYSA-N;137.23;1.25;;;;;DOPC;MDCG;27;1;"MARTINI bead: C5_SNd";;;;;;;1.64;;-1.78;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM402642;MM402642;O=CCCOC(CO)CF;HCEBCOSAALRQOZ-UHFFFAOYSA-N;150.15;-0.08;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_P2";;;;;;;-0.24;;-3.24;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM402643;MM402643;CCC(CO)OCOC=O;NQZDFCJHTIMSCP-UHFFFAOYSA-N;148.16;-0.1;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda_P1";;;;;;;0.04;;-2.73;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM402644;MM402644;C#CC(C)NC1C(C)C1O;DFVMCHTYLDXDIX-UHFFFAOYSA-N;139.2;-0.02;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1_SNda";;;;;;;0.04;;-3.76;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM402645;MM402645;O=COCOC(CO)CO;ROSJMTAIVXMIBQ-UHFFFAOYSA-N;150.13;-1.51;;;;;DOPC;MDCG;27;0;"MARTINI bead: P4_P1";;;;;;;-2.01;;-5.13;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM402646;MM402646;C#CC(C)NC1C(N)C1N;AGJJEGQMFNTHRI-UHFFFAOYSA-N;139.2;-1.37;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1_SP3";;;;;;;-1.93;;-6.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM402647;MM402647;O=COCOC(CF)CF;BYASRVSWGDEKAY-UHFFFAOYSA-N;154.11;0.44;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_P1";;;;;;;0.04;;-2.54;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM402648;MM402648;C#CC(C)NC1C(N)C1O;RKSXNJVCTYDUCE-UHFFFAOYSA-N;140.19;-1.33;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1_SP2";;;;;;;-1.06;;-5.02;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM402649;MM402649;C=NOCOC(CC)CN;HNIKIHUJBYHMCT-UHFFFAOYSA-N;146.19;0.33;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nda_P1";;;;;;;0.04;;-4.8;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM402650;MM402650;C#CC(C)OC1C(N)C1N;GRVXHZZXYKLFSP-UHFFFAOYSA-N;140.19;-0.94;;;;;DOPC;MDCG;27;1;"MARTINI bead: C5_SP3";;;;;;;-0.33;;-3.32;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM402651;MM402651;C=NOCOC(CN)CO;CRCBNECMWJLKPW-UHFFFAOYSA-N;148.16;-1.09;;;;;DOPC;MDCG;27;1;"MARTINI bead: P4_P1";;;;;;;-2.01;;-6.8;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM402652;MM402652;C#CC(C)OC1C(N)C1O;VWXUOQTWTUERAO-UHFFFAOYSA-N;141.17;-0.9;;;;;DOPC;MDCG;27;1;"MARTINI bead: C5_SP3";;;;;;;-0.33;;-3.19;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM402653;MM402653;CCC(OC)OCCC=O;YCVBZDUOZMZSAP-UHFFFAOYSA-N;146.19;0.97;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_Na";;;;;;;0.87;;-2.22;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM402654;MM402654;C#CC(N)CC1C(C)N1C;ABWMPWRYHUCXQQ-UHFFFAOYSA-N;138.21;0.04;;;;;DOPC;MDCG;27;1;"MARTINI bead: SNd_P1";;;;;;;0.04;;-4.11;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM402655;MM402655;COC(CO)OCCC=O;RBPHCTPGPBOGBW-UHFFFAOYSA-N;148.16;-0.44;;;;;DOPC;MDCG;27;0;"MARTINI bead: P3_Na";;;;;;;-1.1;;-4.2;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM402656;MM402656;CNC(=NC=O)OC=NN;CFTWCYLYBCNVTB-UHFFFAOYSA-N;144.13;-1.36;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_P1";;;;;;;-1.06;;-3.82;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM402657;MM402657;C=CCCOC(CF)OC;MXDXYYGEOMIYPJ-UHFFFAOYSA-N;148.18;1.52;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_Na";;;;;;;0.87;;-2.22;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM402658;MM402658;C#CC(F)CC1C(C)N1C;FREZXFYGEBMONK-UHFFFAOYSA-N;141.19;1.05;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNd_C5";;;;;;;1.64;;0.03;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM402659;MM402659;COC(CN)OCOC=O;XQVGWDXADUNXRZ-UHFFFAOYSA-N;149.15;-0.94;;;;;DOPC;MDCG;27;1;"MARTINI bead: P2_P2";;;;;;;-1.34;;-5.63;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM402660;MM402660;C=NN=C(NC)ON=CC;ZJWQGHDDAZRPLU-UHFFFAOYSA-N;142.16;0.2;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_C5";;;;;;;0.54;;-1.09;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM402661;MM402661;COC(CO)OCOC=O;ZALMASAZQGPIQF-UHFFFAOYSA-N;150.13;-0.9;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_P1";;;;;;;-1.06;;-3.82;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM402662;MM402662;C=C(CC)CC1C(C)C1C;NAEQMLWDSBSHQV-UHFFFAOYSA-N;138.25;3.24;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1_SC5";;;;;;;3.68;;0.46;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM402663;MM402663;COC(CF)OCOC=O;BYJPRSICYOOGME-UHFFFAOYSA-N;152.12;0.08;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_P2";;;;;;;-0.24;;-3.24;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM402664;MM402664;C=C(CN)CC1C(C)C1C;DXMMGJVFLPKHHL-UHFFFAOYSA-N;139.24;1.79;;;;;DOPC;MDCG;27;1;"MARTINI bead: SC5_Nd";;;;;;;1.64;;-2.15;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM402665;MM402665;C=NOCOC(CN)OC;NZICTKGXRIICQZ-UHFFFAOYSA-N;148.16;-0.48;;;;;DOPC;MDCG;27;1;"MARTINI bead: P2_P1";;;;;;;-1.06;;-5.14;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM402666;MM402666;C=C(CO)CC1C(C)C1C;PUXQCTJFWLTRKK-UHFFFAOYSA-N;140.23;1.83;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC5_Nda";;;;;;;1.64;;0.05;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM402667;MM402667;C=CCCCN(CC)CC;LADWJVRVWWFPKV-UHFFFAOYSA-N;141.26;2.29;;;;;DOPC;MDCG;27;1;"MARTINI bead: C5_C3";;;;;;;3.34;;0.22;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM402668;MM402668;C=C(CF)CC1C(C)C1C;VIWZWKANMRXIIL-UHFFFAOYSA-N;142.22;2.8;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC5_C4";;;;;;;2.97;;0.45;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM402669;MM402669;CCN(CC)CCCC=O;KLJFHXUKUPKVEF-UHFFFAOYSA-N;143.23;1.31;;;;;DOPC;MDCG;27;1;"MARTINI bead: C5_Na";;;;;;;1.64;;-2.12;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM402670;MM402670;CCC(=O)CC1C(C)C1C;YNZQXQOHSAWAMW-UHFFFAOYSA-N;140.23;2.26;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_SC5";;;;;;;1.64;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM402671;MM402671;CCN(CC)CCCC#N;NUVVGLXJJPTXRJ-UHFFFAOYSA-N;140.23;1.63;;;;;DOPC;MDCG;27;1;"MARTINI bead: C5_P1";;;;;;;0.81;;-2.29;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM402672;MM402672;CC1C(C)C1CC(=O)CO;JHIQHMXOCDHWAJ-UHFFFAOYSA-N;142.2;0.84;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC5_P2";;;;;;;0.54;;-1.09;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM402673;MM402673;CCN(CC)CCNC=N;GYFQIDKRMKJFMQ-UHFFFAOYSA-N;143.23;0.52;;;;;DOPC;MDCG;27;1;"MARTINI bead: C4_P3";;;;;;;0.23;;-5.02;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM402674;MM402674;CC1C(C)C1CC(=O)CF;QTXAXPVVEGHZGQ-UHFFFAOYSA-N;144.19;1.82;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC5_Na";;;;;;;1.64;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM402675;MM402675;C=COCCN(CC)CC;PLWQJHWLGRXAMP-UHFFFAOYSA-N;143.23;1.49;;;;;DOPC;MDCG;27;1;"MARTINI bead: C5_Na";;;;;;;1.64;;-2.01;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM402676;MM402676;C=C(CC)CC1C(C)C1N;FMRXCWDZQKGZIW-UHFFFAOYSA-N;139.24;1.94;;;;;DOPC;MDCG;27;1;"MARTINI bead: C1_SNd";;;;;;;2.91;;-0.43;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM402677;MM402677;CCN(CC)CCOC=O;KBUULMSISDOTQC-UHFFFAOYSA-N;145.2;0.5;;;;;DOPC;MDCG;27;1;"MARTINI bead: C5_P1";;;;;;;0.81;;-2.05;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM402678;MM402678;CC(F)C(N=CNN)=NN;FURKIIASLKXSMZ-UHFFFAOYSA-N;147.16;-0.89;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_P3";;;;;;;-0.33;;-2.01;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM402679;MM402679;C#CCCCC(CC)CC;QSROIVWPWQEDTO-UHFFFAOYSA-N;138.25;3.23;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1_C3";;;;;;;4.61;;0.31;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM402680;MM402680;C=C(CN)CC1C(C)C1O;VSHPLDCUSDRNGW-UHFFFAOYSA-N;141.21;0.52;;;;;DOPC;MDCG;27;1;"MARTINI bead: SNda_Nd";;;;;;;0.87;;-4.17;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM402681;MM402681;C#CCCCC(CC)CN;RKUYVDAUHRUBON-UHFFFAOYSA-N;139.24;1.77;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_C3";;;;;;;2.57;;-1.53;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM402682;MM402682;Cn1c(=O)onc(N)c1=O;UEWKDLNWUCTHKW-UHFFFAOYSA-N;143.1;-1.68;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP2_SP4";;;;;;;-2.29;;-5.95;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM402683;MM402683;C=NN=C(CC)N=CNN;ORSRRQRPMUXCQQ-UHFFFAOYSA-N;141.18;-0.1;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4_P4";;;;;;;0.15;;-2.18;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM402684;MM402684;CCC(=O)CC1C(C)C1O;RDDFXJWIUHIEMH-UHFFFAOYSA-N;142.2;0.98;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_SNda";;;;;;;0.87;;-1.99;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM402685;MM402685;C#CCCCC(CN)CN;SVZFNSADAGPPIM-UHFFFAOYSA-N;140.23;0.32;;;;;DOPC;MDCG;27;1;"MARTINI bead: P2_C5";;;;;;;0.54;;-3.84;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM402686;MM402686;CC1C(O)C1CC(=O)CO;NENJGGVNXAFHTR-UHFFFAOYSA-N;144.17;-0.44;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNda_P2";;;;;;;-0.24;;-3.31;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM402687;MM402687;C#CCCCC(CN)CO;WBVSMXQVAHGOER-UHFFFAOYSA-N;141.21;0.36;;;;;DOPC;MDCG;27;1;"MARTINI bead: P2_C5";;;;;;;0.54;;-3.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM402688;MM402688;CC1C(O)C1CC(=O)CF;HMWBVGKUZGJSQB-UHFFFAOYSA-N;146.16;0.54;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNda_Na";;;;;;;0.87;;-1.99;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM402689;MM402689;C#CCCCC(CN)CF;XRTCFRSMRKJRIO-UHFFFAOYSA-N;143.21;1.33;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1_C3";;;;;;;1.74;;-2.05;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM402690;MM402690;C=C(CN)CC1C(C)C1F;TYDMXBNXYSPWSK-UHFFFAOYSA-N;143.21;1.5;;;;;DOPC;MDCG;27;1;"MARTINI bead: SNa_Nd";;;;;;;0.87;;-4.14;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM402691;MM402691;C#CCCCC(CF)CF;NHVRCMKCZRRZNJ-UHFFFAOYSA-N;146.18;2.35;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_C3";;;;;;;2.57;;0.45;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM402692;MM402692;C=C(CO)CC1C(C)C1F;YTFPZPVNZUVBNN-UHFFFAOYSA-N;144.19;1.53;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNa_Nda";;;;;;;0.87;;-1.99;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM402693;MM402693;C#CCCCC(CC)NC;HLNYYMHQOVGCMB-UHFFFAOYSA-N;139.24;1.79;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_C3";;;;;;;2.57;;-2.04;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM402694;MM402694;C=C(CF)CC1C(C)C1F;GOEYIHNWZNXTNO-UHFFFAOYSA-N;146.18;2.51;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNa_C4";;;;;;;2.2;;0.34;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM402695;MM402695;C#CCCCC(CO)NC;WGYZBMDKYGCTBL-UHFFFAOYSA-N;141.21;0.37;;;;;DOPC;MDCG;27;1;"MARTINI bead: P2_C5";;;;;;;0.54;;-3.67;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM402696;MM402696;C=C(CN)CC1C(N)C1N;PJASWONFPMPGPF-UHFFFAOYSA-N;141.22;-0.82;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_SP3";;;;;;;-1.1;;-6.39;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM402697;MM402697;C#CCCCC(CF)NC;KRTFYUADGWBEJC-UHFFFAOYSA-N;143.21;1.35;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nda_C5";;;;;;;1.64;;-1.54;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM402698;MM402698;C=C(CF)CC1C(N)C1N;CWCBVISBRWCTBD-UHFFFAOYSA-N;144.19;0.19;;;;;DOPC;MDCG;27;1;"MARTINI bead: SP3_C4";;;;;;;0.23;;-3.11;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM402699;MM402699;C#CCCCC(CC)OC;IQLZMRUGYFLMDF-UHFFFAOYSA-N;140.23;2.21;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_C3";;;;;;;2.57;;0.45;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM402700;MM402700;C=C(CN)CC1C(N)C1O;DVSZTTZNZMTJNK-UHFFFAOYSA-N;142.2;-0.79;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_SP2";;;;;;;-0.24;;-5.58;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM402701;MM402701;C#CCCCC(CN)OC;BOMIHEQZKINYGS-UHFFFAOYSA-N;141.21;0.76;;;;;DOPC;MDCG;27;1;"MARTINI bead: P2_C3";;;;;;;1.46;;-2.1;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM402702;MM402702;C=C(CO)CC1C(N)C1O;PSRGEVUYFUKESY-UHFFFAOYSA-N;143.19;-0.76;;;;;DOPC;MDCG;27;1;"MARTINI bead: SP2_Nda";;;;;;;-0.24;;-5.27;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM402703;MM402703;C#CCCCC(CO)OC;LORXTVGTFXPIND-UHFFFAOYSA-N;142.2;0.8;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_C5";;;;;;;0.81;;-0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM402704;MM402704;C=C(CF)CC1C(N)C1O;HTRUGNLQUXUTGN-UHFFFAOYSA-N;145.18;0.22;;;;;DOPC;MDCG;27;1;"MARTINI bead: SP2_C4";;;;;;;1.09;;-2.3;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM402705;MM402705;C#CCCCC(OC)OC;CYRUXAYTGCVABN-UHFFFAOYSA-N;142.2;1.41;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_C5";;;;;;;1.64;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM402706;MM402706;C=C(CC)CC1C(N)C1F;FFUNBNGNAWHRQM-UHFFFAOYSA-N;143.21;1.64;;;;;DOPC;MDCG;27;1;"MARTINI bead: C1_SP1";;;;;;;2.08;;0.15;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM402707;MM402707;C#CCNCC(CC)CC;SYCMZINGGMQCSN-UHFFFAOYSA-N;139.24;1.65;;;;;DOPC;MDCG;27;1;"MARTINI bead: C1_P2";;;;;;;1.8;;-1.02;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM402708;MM402708;C=C(CN)CC1C(N)C1F;DKQDEVQRZLGVHS-UHFFFAOYSA-N;144.19;0.19;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_SP1";;;;;;;0.04;;-4.92;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM402709;MM402709;C#CCNCC(CC)CF;ZDVIBBVURXBEHJ-UHFFFAOYSA-N;143.21;1.2;;;;;DOPC;MDCG;27;1;"MARTINI bead: C4_P2";;;;;;;1.09;;-2.11;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM402710;MM402710;C=C(CO)CC1C(N)C1F;PQOBLENHXBFCEF-UHFFFAOYSA-N;145.18;0.22;;;;;DOPC;MDCG;27;1;"MARTINI bead: SP1_Nda";;;;;;;0.04;;-4.01;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM402711;MM402711;C#CCNCC(CN)CN;UOEQBQISSLQQEP-UHFFFAOYSA-N;141.22;-1.26;;;;;DOPC;MDCG;27;1;"MARTINI bead: P2_P2";;;;;;;-1.34;;-6.77;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM402712;MM402712;C=C(CF)CC1C(N)C1F;PYYUMIWNZYOEJS-UHFFFAOYSA-N;147.17;1.2;;;;;DOPC;MDCG;27;1;"MARTINI bead: SP1_C4";;;;;;;1.37;;-1.24;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM402713;MM402713;C#CCNCC(CN)CO;IWQVIFJEWDQQIE-UHFFFAOYSA-N;142.2;-1.22;;;;;DOPC;MDCG;27;1;"MARTINI bead: P2_P2";;;;;;;-1.34;;-6.47;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM402714;MM402714;C=C(CC)CC1C(O)C1O;UXECDFRRVWDEOI-UHFFFAOYSA-N;142.2;0.69;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1_SP2";;;;;;;1.8;;0.4;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM402715;MM402715;C#CCNCC(CO)CO;BIJYFQZLBGRPHR-UHFFFAOYSA-N;143.19;-1.19;;;;;DOPC;MDCG;27;1;"MARTINI bead: P2_P2";;;;;;;-1.34;;-5.43;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM402716;MM402716;C=C(CO)CC1C(O)C1O;PDCRBCFCFGTYQT-UHFFFAOYSA-N;144.17;-0.72;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda_SP2";;;;;;;-0.24;;-3.31;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM402717;MM402717;C#CCNCC(CO)CF;BPBSIPNBTRGOMW-UHFFFAOYSA-N;145.18;-0.21;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nda_P2";;;;;;;-0.24;;-4.59;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM402718;MM402718;C=C(CF)CC1C(O)C1O;CAZKSGXDELAFJB-UHFFFAOYSA-N;146.16;0.25;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP2_C4";;;;;;;1.09;;-0.38;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM402719;MM402719;C#CCNCC(CN)NC;FTMSGQQPRKYECW-UHFFFAOYSA-N;141.22;-1.24;;;;;DOPC;MDCG;27;1;"MARTINI bead: P2_P2";;;;;;;-1.34;;-6.18;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM402720;MM402720;CCC(=O)CC1C(O)C1O;MNINGKGVZRYGCT-UHFFFAOYSA-N;144.17;-0.29;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_SP2";;;;;;;-0.24;;-3.24;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM402721;MM402721;C#CCNCC(CO)NC;DLKHSOHHGFCDOX-UHFFFAOYSA-N;142.2;-1.21;;;;;DOPC;MDCG;27;1;"MARTINI bead: P2_P2";;;;;;;-1.34;;-5.96;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM402722;MM402722;CNC(=N)CC1C(C)C1C;KSRVUHJFWLSJSV-UHFFFAOYSA-N;140.23;1.48;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1_SC5";;;;;;;0.81;;-5.72;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM402723;MM402723;C#CCOCC(CC)CC;WAEWQYNIJRQRKB-UHFFFAOYSA-N;140.23;2.07;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1_Na";;;;;;;2.91;;0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM402724;MM402724;CC1C(C)C1CC(=N)NN;SYOONVWCBIMQNK-UHFFFAOYSA-N;141.22;0.72;;;;;DOPC;MDCG;27;1;"MARTINI bead: SC5_P2";;;;;;;0.54;;-4.8;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM402725;MM402725;C#CCOCC(CC)CN;NCTKSHUKHGREAH-UHFFFAOYSA-N;141.21;0.62;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_Na";;;;;;;0.87;;-4.62;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM402726;MM402726;CC1C(C)C1CC(=N)NO;DJDLUOPYZHWOTH-UHFFFAOYSA-N;142.2;1.23;;;;;DOPC;MDCG;27;1;"MARTINI bead: SC5_P2";;;;;;;0.54;;-3.63;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM402727;MM402727;C#CCOCC(CC)CO;JZMULDFAESGCOU-UHFFFAOYSA-N;142.2;0.65;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda_Na";;;;;;;0.87;;-1.99;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM402728;MM402728;CN=c1nc(N)nnn1C;LYAQXILGRBRRHP-UHFFFAOYSA-N;140.15;-1.68;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP2_SP2";;;;;;;-1.34;;-4.31;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM402729;MM402729;C#CCOCC(CC)CF;AFUCLINEHRKTEB-UHFFFAOYSA-N;144.19;1.63;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4_Na";;;;;;;2.2;;0.34;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM402730;MM402730;C#CC(CF)C(=NN)NN;QKLFXIHTCGWTQR-UHFFFAOYSA-N;144.15;-1.06;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nd_Na";;;;;;;0.87;;-1.88;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM402731;MM402731;C#CCOCC(CN)CN;FSTWHSXSJYOAKG-UHFFFAOYSA-N;142.2;-0.83;;;;;DOPC;MDCG;27;1;"MARTINI bead: P3_Na";;;;;;;-1.1;;-6.84;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM402732;MM402732;CC1C(C)C1CC(=O)NO;HNPULRHJXZTEDY-UHFFFAOYSA-N;143.19;0.78;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC5_P3";;;;;;;-0.33;;-2.01;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM402733;MM402733;C#CCOCC(CN)CF;CUBPPGHVMHSSSI-UHFFFAOYSA-N;145.18;0.18;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1_Na";;;;;;;0.04;;-5.19;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM402734;MM402734;CNC(=N)CC1C(C)C1N;AFPUGPOOXWTMOF-UHFFFAOYSA-N;141.22;0.17;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1_SNd";;;;;;;0.04;;-7.82;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM402735;MM402735;C#CCOCC(CF)CF;DKPBQGBZSCLEKL-UHFFFAOYSA-N;148.15;1.19;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_Na";;;;;;;0.87;;-2.22;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM402736;MM402736;CC1C(N)C1CC(=N)NO;UUFIHNUNJYIPFG-UHFFFAOYSA-N;143.19;-0.07;;;;;DOPC;MDCG;27;1;"MARTINI bead: SNd_P2";;;;;;;-0.24;;-5.81;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM402737;MM402737;C#CCOCC(CC)NC;RHXAIKZLHLAQOM-UHFFFAOYSA-N;141.21;0.63;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_Na";;;;;;;0.87;;-4.39;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM402738;MM402738;CNC(=O)CC1C(C)C1N;XYULZCLEWAAQBC-UHFFFAOYSA-N;142.2;-0.28;;;;;DOPC;MDCG;27;1;"MARTINI bead: P2_SNd";;;;;;;-0.24;;-5.6;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM402739;MM402739;C#CCOCC(CN)NC;LPNRTQUKPDQYIZ-UHFFFAOYSA-N;142.2;-0.82;;;;;DOPC;MDCG;27;1;"MARTINI bead: P3_Na";;;;;;;-1.1;;-6.38;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM402740;MM402740;CNC(=N)CC1C(C)C1O;GGAVXUPBRRYPQE-UHFFFAOYSA-N;142.2;0.2;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1_SNda";;;;;;;0.04;;-7.75;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM402741;MM402741;C#CCOCC(CC)OC;RWFCEJIPSVONHX-UHFFFAOYSA-N;142.2;1.06;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_Na";;;;;;;0.87;;-2.22;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM402742;MM402742;CC1C(O)C1CC(=N)NN;GYTWQHAMGAMDGT-UHFFFAOYSA-N;143.19;-0.56;;;;;DOPC;MDCG;27;1;"MARTINI bead: SNda_P2";;;;;;;-0.24;;-6.93;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM402743;MM402743;C#CCOCC(CN)OC;BLRRGUSFOONYDN-UHFFFAOYSA-N;143.19;-0.39;;;;;DOPC;MDCG;27;1;"MARTINI bead: P2_Na";;;;;;;-0.24;;-5.24;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM402744;MM402744;CC1C(O)C1CC(=N)NO;HLXGEQBWIQSHBD-UHFFFAOYSA-N;144.17;-0.04;;;;;DOPC;MDCG;27;1;"MARTINI bead: SNda_P2";;;;;;;-0.24;;-5.81;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM402745;MM402745;C#CCOCC(CO)OC;JVPDXXOHXPRFCJ-UHFFFAOYSA-N;144.17;-0.36;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_Na";;;;;;;-0.24;;-3.24;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM402746;MM402746;CNC(=O)CC1C(C)C1O;QPUOPFIUBCEPOM-UHFFFAOYSA-N;143.19;-0.25;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_SNda";;;;;;;-0.24;;-3.31;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM402747;MM402747;C#CCCNC(CC)CC;POYWXVYWCOPJCH-UHFFFAOYSA-N;139.24;1.79;;;;;DOPC;MDCG;27;1;"MARTINI bead: C1_Nd";;;;;;;2.91;;-0.79;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM402748;MM402748;C=CC(C#N)C(C)=NOC;CGRGDVAZFKZLQZ-UHFFFAOYSA-N;138.17;1.33;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_N0";;;;;;;1.17;;-1.18;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM402749;MM402749;C#CCCNC(CN)CN;VAVKAGCRVZWAAV-UHFFFAOYSA-N;141.22;-1.11;;;;;DOPC;MDCG;27;1;"MARTINI bead: P3_Nd";;;;;;;-1.1;;-6.13;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM402750;MM402750;CC1C(O)C1CC(=O)NO;WNSCYESYARREEI-UHFFFAOYSA-N;145.16;-0.49;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNda_P3";;;;;;;-1.1;;-3.97;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM402751;MM402751;C#CCCNC(CO)CO;MZVGDUAYTCDOSF-UHFFFAOYSA-N;143.19;-1.05;;;;;DOPC;MDCG;27;1;"MARTINI bead: P3_Nd";;;;;;;-1.1;;-5.51;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM402752;MM402752;CNC(=N)CC1C(C)C1F;HSPOGKWJRFQRAR-UHFFFAOYSA-N;144.19;1.18;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1_SNa";;;;;;;0.04;;-7.71;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM402753;MM402753;C#CCCOC(CC)CC;PDBGPHMHUMVJPO-UHFFFAOYSA-N;140.23;2.21;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1_Na";;;;;;;2.91;;0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM402754;MM402754;CNC(=O)CC1C(C)C1F;RIPINLSTMXYGGY-UHFFFAOYSA-N;145.18;0.73;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_SNa";;;;;;;-0.24;;-3.24;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM402755;MM402755;C#CCCOC(CC)CN;ANSBLPCYCMNURV-UHFFFAOYSA-N;141.21;0.76;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_Na";;;;;;;0.87;;-3.96;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM402756;MM402756;CC1C(F)C1CC(=O)NO;RPBHCITWYUPLPK-UHFFFAOYSA-N;147.15;0.49;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNa_P3";;;;;;;-1.1;;-4.2;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM402757;MM402757;C#CCCOC(CC)CO;AVQOUUDGQJBBPA-UHFFFAOYSA-N;142.2;0.8;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda_Na";;;;;;;0.87;;-1.99;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM402758;MM402758;N=C(CC1C(N)C1N)NO;LZTRSVNMDKXTTP-UHFFFAOYSA-N;144.18;-1.38;;;;;DOPC;MDCG;27;1;"MARTINI bead: SP3_P2";;;;;;;-2.2;;-7.68;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM402759;MM402759;C#CCCOC(CN)CN;HGNDCIZQGQWZLH-UHFFFAOYSA-N;142.2;-0.69;;;;;DOPC;MDCG;27;1;"MARTINI bead: P3_Na";;;;;;;-1.1;;-6.21;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM402760;MM402760;CNC(=O)CC1C(N)C1N;XWVQEXXYAVQPAQ-UHFFFAOYSA-N;143.19;-1.59;;;;;DOPC;MDCG;27;1;"MARTINI bead: P2_SP3";;;;;;;-2.2;;-7.08;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM402761;MM402761;C#CCCOC(CO)CO;RRBVMKVDZPCMGB-UHFFFAOYSA-N;144.17;-0.62;;;;;DOPC;MDCG;27;0;"MARTINI bead: P4_C5";;;;;;;-0.41;;-2.78;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM402762;MM402762;CNC(=N)CC1C(N)C1O;UWWSDDGQWPHAHC-UHFFFAOYSA-N;143.19;-1.11;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1_SP2";;;;;;;-1.06;;-8.66;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM402763;MM402763;C#CCCOC(CC)OC;PCKUDGUFBUCELF-UHFFFAOYSA-N;142.2;1.41;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_Na";;;;;;;0.87;;-2.22;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM402764;MM402764;N=C(CC1C(N)C1O)NO;HCOQFHQQNAMLAA-UHFFFAOYSA-N;145.16;-1.35;;;;;DOPC;MDCG;27;1;"MARTINI bead: SP2_P2";;;;;;;-1.34;;-6.81;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM402765;MM402765;C#CCCOC(CN)OC;DSRPUJXDJGELBW-UHFFFAOYSA-N;143.19;-0.04;;;;;DOPC;MDCG;27;1;"MARTINI bead: P2_Na";;;;;;;-0.24;;-4.56;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM402766;MM402766;C#CCCOC(CO)OC;BHOKPNAXOANFRP-UHFFFAOYSA-N;144.17;-0.01;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_Na";;;;;;;-0.24;;-3.24;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM402767;MM402767;NC1C(O)C1CC(=O)NO;MQOKTSUGSJTCIV-UHFFFAOYSA-N;146.15;-1.8;;;;;DOPC;MDCG;27;1;"MARTINI bead: SP2_P3";;;;;;;-2.2;;-7.14;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM402768;MM402768;C#CCCOC(CF)OC;DNXQMOKZWBFOGT-UHFFFAOYSA-N;146.16;0.97;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_C5";;;;;;;0.54;;-1.09;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM402769;MM402769;CNC(=N)CC1C(N)C1F;YDZYKAQOZFKVOG-UHFFFAOYSA-N;145.18;-0.13;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1_SP1";;;;;;;-0.79;;-8.3;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM402770;MM402770;C#CCCCN(CC)CC;MHIPJFZYBYZFQK-UHFFFAOYSA-N;139.24;1.74;;;;;DOPC;MDCG;27;1;"MARTINI bead: C5_C5";;;;;;;2.41;;-0.59;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM402771;MM402771;CNC(=N)CC1C(O)C1O;PMIRSVQTGRSNRR-UHFFFAOYSA-N;144.17;-1.08;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1_SP2";;;;;;;-1.06;;-8.64;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM402772;MM402772;C=CC(CC)CCCCC;FVGYFLMOMXMNKY-UHFFFAOYSA-N;140.27;3.78;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1_C1";;;;;;;4.95;;0.69;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM402773;MM402773;COC1=CC(=O)N(C)CC1;LAOXWXCPGQQEJS-UHFFFAOYSA-N;141.17;0.38;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNa_SNda";;;;;;;0.87;;-1.99;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM402774;MM402774;C=CC(CC)CCCCN;RGFZKOLVPUOGBT-UHFFFAOYSA-N;141.26;2.33;;;;;DOPC;MDCG;27;1;"MARTINI bead: C1_Nd";;;;;;;2.91;;-0.56;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM402775;MM402775;C=C(CC1C(C)C1C)OC;YRZHTIKZPCGVPD-UHFFFAOYSA-N;140.23;2.44;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_SC5";;;;;;;2.41;;0.64;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM402776;MM402776;C#CC(=CC=O)NN=CC;MVXAUOAMOXCIBO-UHFFFAOYSA-N;136.15;0.3;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nd_Na";;;;;;;0.87;;-1.88;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM402777;MM402777;COC(=O)CC1C(C)C1C;IDWUEQUKXURUOJ-UHFFFAOYSA-N;142.2;1.45;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_SC5";;;;;;;1.64;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM402778;MM402778;C=CC(CC)CCCCF;ASZWWITUTBZWLV-UHFFFAOYSA-N;144.23;3.34;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1_C4";;;;;;;4.24;;0.42;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM402779;MM402779;C=C(CC1C(C)C1N)OC;GKNNEOSWOJOGLQ-UHFFFAOYSA-N;141.21;1.13;;;;;DOPC;MDCG;27;1;"MARTINI bead: C5_SNd";;;;;;;1.64;;-2.56;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM402780;MM402780;CCCCCC(C=O)CC;XGFJTLRIXGSGFE-UHFFFAOYSA-N;142.24;2.79;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1_C5";;;;;;;3.68;;0.46;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM402781;MM402781;COC(=O)CC1C(C)C1N;PZWLQKSUJQECFA-UHFFFAOYSA-N;143.19;0.14;;;;;DOPC;MDCG;27;1;"MARTINI bead: Na_SNd";;;;;;;0.87;;-4.54;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM402782;MM402782;CCCCCC(C#N)CC;SMHORIXQSMDYEY-UHFFFAOYSA-N;139.24;3.12;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1_C5";;;;;;;3.68;;0.46;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM402783;MM402783;C=C(CC1C(C)C1O)OC;ZXGIUWNDCRXAFI-UHFFFAOYSA-N;142.2;1.16;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_SNda";;;;;;;1.64;;0.05;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM402784;MM402784;CCNN=C(C=O)C(C)C;UVAJXFNDNQRENE-UHFFFAOYSA-N;142.2;0.81;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_C5";;;;;;;0.81;;-0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM402785;MM402785;COC(=O)CC1C(C)C1F;ITUWEGCRFZPBFR-UHFFFAOYSA-N;146.16;1.15;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_SNa";;;;;;;0.87;;-2.22;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM402786;MM402786;CNc1nc(=N)onc1N;OLILUWLMBYUKSN-UHFFFAOYSA-N;141.13;-0.83;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP2_SP3";;;;;;;-2.2;;-5.19;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM402787;MM402787;COC(=O)CC1C(N)C1N;FZLYOZGMDDLZAG-UHFFFAOYSA-N;144.17;-1.17;;;;;DOPC;MDCG;27;1;"MARTINI bead: Na_SP3";;;;;;;-1.1;;-6.27;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM402788;MM402788;CCC(C=O)CCCCF;LONSCFRNOAWWKP-UHFFFAOYSA-N;146.21;2.35;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_C4";;;;;;;2.97;;0.45;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM402789;MM402789;COC(=O)CC1C(N)C1O;STGMDERUPOGOKF-UHFFFAOYSA-N;145.16;-1.13;;;;;DOPC;MDCG;27;1;"MARTINI bead: Na_SP2";;;;;;;-0.24;;-5.19;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM402790;MM402790;CCC(C#N)CCCCF;YVYUPERXNQVMSR-UHFFFAOYSA-N;143.21;2.68;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_C4";;;;;;;2.97;;0.45;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM402791;MM402791;COC(=O)CC1C(N)C1F;ALASWVCELWOHQQ-UHFFFAOYSA-N;147.15;-0.16;;;;;DOPC;MDCG;27;1;"MARTINI bead: Na_SP1";;;;;;;0.04;;-3.81;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM402792;MM402792;C=CC(CN)CCCCC;UUPGMFNJNURTFA-UHFFFAOYSA-N;141.26;2.33;;;;;DOPC;MDCG;27;1;"MARTINI bead: C1_Nd";;;;;;;2.91;;-0.53;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM402793;MM402793;COC(=O)CC1C(O)C1O;LMKDQSAPDFMOHB-UHFFFAOYSA-N;146.14;-1.1;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_SP2";;;;;;;-0.24;;-3.24;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM402794;MM402794;C=CC(CN)CCCCF;FVDIJCFUELYFKJ-UHFFFAOYSA-N;145.22;1.89;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_C4";;;;;;;2.2;;-2.19;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM402795;MM402795;CCC(=N)NC1C(C)C1C;ATOSDXYFJYQQNS-UHFFFAOYSA-N;140.23;1.62;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1_SC5";;;;;;;0.81;;-5.24;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM402796;MM402796;CNN=COC(CF)=NN;CURMPYAFIZFMCF-UHFFFAOYSA-N;148.14;-0.59;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_P2";;;;;;;-0.24;;-3.24;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM402797;MM402797;CC1C(C)C1NC(=N)CN;MJLUZZSGYUVISA-UHFFFAOYSA-N;141.22;0.17;;;;;DOPC;MDCG;27;1;"MARTINI bead: SC5_P4";;;;;;;-0.41;;-5.88;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM402798;MM402798;C#CCC12CCC(O)C1C2;VYDWZABWKVZFKX-UHFFFAOYSA-N;136.19;1.17;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNda_SC3";;;;;;;2.57;;0.44;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM402799;MM402799;CC1C(C)C1NC(=N)CO;HSNPLADAMQKDMJ-UHFFFAOYSA-N;142.2;0.2;;;;;DOPC;MDCG;27;1;"MARTINI bead: SC5_P4";;;;;;;-0.41;;-5.89;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM402800;MM402800;CC1NC(C=O)C=C1C#N;INHLGTHEMHYMON-UHFFFAOYSA-N;136.15;;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP2_SP1";;;;;;;-1.06;;-3.82;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM402801;MM402801;CC1C(N)C1NC(=N)CO;GRERMFRCISOOSP-UHFFFAOYSA-N;143.19;-1.11;;;;;DOPC;MDCG;27;1;"MARTINI bead: SNd_P4";;;;;;;-1.19;;-7.75;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM402802;MM402802;CCCCCC(C=O)CO;JTOUFLASTCOXMN-UHFFFAOYSA-N;144.21;1.37;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1_P2";;;;;;;1.8;;0.4;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM402803;MM402803;CCC(=N)NC1C(C)C1O;BVHCPJDBURABGF-UHFFFAOYSA-N;142.2;0.34;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1_SNda";;;;;;;0.04;;-6.88;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM402804;MM402804;O=CC(CO)CCCCO;KGBNROMAWGSVNE-UHFFFAOYSA-N;146.19;-0.04;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda_P2";;;;;;;-0.24;;-3.31;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM402805;MM402805;CCC(=N)NC1C(O)C1O;CYORLCQSVFRBBL-UHFFFAOYSA-N;144.17;-0.93;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1_SP2";;;;;;;-1.06;;-7.41;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM402806;MM402806;N#CC(CO)CCCCO;RKOSJVAEIYPCIX-UHFFFAOYSA-N;143.19;0.28;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda_P2";;;;;;;-0.24;;-3.31;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM402807;MM402807;CNC(=N)NC1C(C)C1C;FINZKTRHOOLPMD-UHFFFAOYSA-N;141.22;0.38;;;;;DOPC;MDCG;27;1;"MARTINI bead: P3_SC5";;;;;;;-0.33;;-6.27;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM402808;MM402808;C=CC(CF)CCCCC;QHTVDEPLOBIBSI-UHFFFAOYSA-N;144.23;3.34;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1_C5";;;;;;;3.68;;0.46;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM402809;MM402809;CC1C(C)C1NC(=N)NN;CRFQGUCLROECHR-UHFFFAOYSA-N;142.21;-0.37;;;;;DOPC;MDCG;27;1;"MARTINI bead: SC5_P4";;;;;;;-0.41;;-6.27;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM402810;MM402810;C=CC(CF)CCCCN;MZPHIZPCEONFTL-UHFFFAOYSA-N;145.22;1.89;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_C5";;;;;;;1.64;;-2.7;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM402811;MM402811;CC1C(C)C1NC(=N)NO;ZAEUJGMYZNIKMI-UHFFFAOYSA-N;143.19;0.14;;;;;DOPC;MDCG;27;1;"MARTINI bead: SC5_P4";;;;;;;-0.41;;-5.75;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM402812;MM402812;C=CC#CC(=O)C1NC1C;BMFIRONNPQDNQB-UHFFFAOYSA-N;135.17;0.11;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP1_Na";;;;;;;0.04;;-2.54;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM402813;MM402813;CC1C(C)C1NC(=O)NO;RAJNWGKWKMROBN-UHFFFAOYSA-N;144.17;0.33;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC5_P4";;;;;;;-0.41;;-2.78;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM402814;MM402814;CCCCCC(C#N)CF;VTHSYUHVENRVFA-UHFFFAOYSA-N;143.21;2.68;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1_Na";;;;;;;2.91;;0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM402815;MM402815;CC1C(N)C1NC(=O)NO;OPLKXCMTEAHZSB-UHFFFAOYSA-N;145.16;-0.98;;;;;DOPC;MDCG;27;1;"MARTINI bead: SNd_P4";;;;;;;-1.19;;-6.43;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM402816;MM402816;O=CC(CF)CCCCF;IHBABAMDXIIJEA-UHFFFAOYSA-N;150.17;1.91;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4_P1";;;;;;;1.37;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM402817;MM402817;C#CCc1cc(NC)c[nH]1;NQHNQJLWTJLXAP-UHFFFAOYSA-N;134.18;1.23;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNd_SNd";;;;;;;0.87;;-2.11;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM402818;MM402818;N#CC(CF)CCCCF;DVNQKMAKWUCCDQ-UHFFFAOYSA-N;147.17;2.24;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4_Na";;;;;;;2.2;;0.34;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM402819;MM402819;CC1C(O)C1NC(=O)NO;IRANSPHBTCHEMO-UHFFFAOYSA-N;146.15;-0.95;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNda_P4";;;;;;;-1.19;;-4.91;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM402820;MM402820;C=CC(CC)CCCNC;RHQZUWUOQNNCHR-UHFFFAOYSA-N;141.26;2.2;;;;;DOPC;MDCG;27;1;"MARTINI bead: C1_Nd";;;;;;;2.91;;-0.86;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM402821;MM402821;C=C(CC)OC1C(C)C1C;XPGKCFUAOGCJEF-UHFFFAOYSA-N;140.23;2.58;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_SC5";;;;;;;1.64;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM402822;MM402822;CCC(C=O)CCCNC;AOIAWZFJOKRIII-UHFFFAOYSA-N;143.23;1.21;;;;;DOPC;MDCG;27;1;"MARTINI bead: C5_Nd";;;;;;;1.64;;-2.92;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM402823;MM402823;C=C(CO)OC1C(C)C1C;YRASHGXHRGJCJG-UHFFFAOYSA-N;142.2;1.16;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC5_P2";;;;;;;0.54;;-1.09;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM402824;MM402824;C=CC(CO)CCCNC;WIWGPXCAUGATEX-UHFFFAOYSA-N;143.23;0.78;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_Nda";;;;;;;0.87;;-5.04;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM402825;MM402825;C=C(CF)OC1C(C)C1C;UWJXLVPOIDSVEC-UHFFFAOYSA-N;144.19;2.14;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC5_Na";;;;;;;1.64;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM402826;MM402826;CNCCCC(C=O)CO;BYXWJJJPSJZVPB-UHFFFAOYSA-N;145.2;-0.21;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_P2";;;;;;;-0.24;;-6.16;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM402827;MM402827;CCC(=O)OC1C(C)C1C;BAULJPMOLPZEHS-UHFFFAOYSA-N;142.2;1.59;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_SC5";;;;;;;1.64;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM402828;MM402828;CNCCCC(C#N)CO;ZGJHPVTVWDBHMP-UHFFFAOYSA-N;142.2;0.12;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_P2";;;;;;;-0.24;;-6.26;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM402829;MM402829;C=C(CN)OC1C(C)C1N;KNIMILAELQTTAE-UHFFFAOYSA-N;142.2;-0.18;;;;;DOPC;MDCG;27;1;"MARTINI bead: SNd_P2";;;;;;;-0.24;;-5.16;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM402830;MM402830;C=CC(CF)CCCNC;LMLYTAMGAGWWKN-UHFFFAOYSA-N;145.22;1.76;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_C5";;;;;;;1.64;;-3.02;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM402831;MM402831;C=C(CC)OC1C(C)C1O;GWWILJQDFDGCQW-UHFFFAOYSA-N;142.2;1.31;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_SNda";;;;;;;0.87;;-1.99;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM402832;MM402832;C=CC(CC)CCCOC;UESKSQFNXJNQEO-UHFFFAOYSA-N;142.24;2.63;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1_Na";;;;;;;2.91;;0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM402833;MM402833;C=C(CN)OC1C(C)C1O;ZKERZCDVWJXZKK-UHFFFAOYSA-N;143.19;-0.15;;;;;DOPC;MDCG;27;1;"MARTINI bead: SNda_P2";;;;;;;-0.24;;-4.77;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM402834;MM402834;CCC(C=O)CCCOC;LZCVPNBEPYECQS-UHFFFAOYSA-N;144.21;1.64;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_Na";;;;;;;1.64;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM402835;MM402835;C=C(CC)OC1C(N)C1N;CTDQECWNSIDFMK-UHFFFAOYSA-N;142.2;-0.04;;;;;DOPC;MDCG;27;1;"MARTINI bead: Na_SP3";;;;;;;-1.1;;-5.5;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM402836;MM402836;CCC(C#N)CCCOC;INSDBPZHRWSXPA-UHFFFAOYSA-N;141.21;1.96;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_Na";;;;;;;1.64;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM402837;MM402837;C=C(CN)OC1C(N)C1N;CGURWTCWYIZLGH-UHFFFAOYSA-N;143.19;-1.49;;;;;DOPC;MDCG;27;1;"MARTINI bead: P2_SP3";;;;;;;-2.2;;-6.86;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM402838;MM402838;C#CC(=O)C1C(C)N1N=C;ZJIVUFQKXMXVQY-UHFFFAOYSA-N;136.15;-0.12;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP1_P1";;;;;;;-0.79;;-3.13;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM402839;MM402839;NC1C(N)C1OC(=O)CF;OECQXFJAZCRDGT-UHFFFAOYSA-N;148.14;-1.46;;;;;DOPC;MDCG;27;1;"MARTINI bead: SP3_P1";;;;;;;-1.93;;-5.82;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM402840;MM402840;COCCCC(C=O)CO;PKMCHSDAJBEGQJ-UHFFFAOYSA-N;146.19;0.22;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_P2";;;;;;;-0.24;;-3.24;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM402841;MM402841;C=C(CN)OC1C(N)C1O;SICFSMGUQLBBIZ-UHFFFAOYSA-N;144.17;-1.45;;;;;DOPC;MDCG;27;1;"MARTINI bead: P2_SP2";;;;;;;-1.34;;-5.94;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM402842;MM402842;COCCCC(C#N)CO;ZOEQYMKTYVBABH-UHFFFAOYSA-N;143.19;0.55;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_Nda";;;;;;;0.04;;-2.73;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM402843;MM402843;C=C(CN)OC1C(N)C1F;POCWJYFTNOJIJS-UHFFFAOYSA-N;146.17;-0.48;;;;;DOPC;MDCG;27;1;"MARTINI bead: P2_SP1";;;;;;;-1.06;;-5.32;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM402844;MM402844;COCCCC(C#N)CF;NCLNBXHLXZHWLJ-UHFFFAOYSA-N;145.18;1.52;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_Na";;;;;;;0.87;;-2.22;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM402845;MM402845;CC1C(N)C1OC(=N)NO;DTVUJCNBYWKLGJ-UHFFFAOYSA-N;145.16;-0.74;;;;;DOPC;MDCG;27;1;"MARTINI bead: SNd_P5";;;;;;;-1.11;;-6.84;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM402846;MM402846;C=CC(CC)CCNCC;WVBIUEMLYXFPQK-UHFFFAOYSA-N;141.26;2.2;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_C1";;;;;;;2.91;;-0.96;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM402847;MM402847;CNC(=N)OC1C(O)C1O;YRXDTFAJYAWRQL-UHFFFAOYSA-N;146.15;-1.74;;;;;DOPC;MDCG;27;1;"MARTINI bead: P3_SP2";;;;;;;-2.2;;-7.27;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM402848;MM402848;CCNCCC(C#N)CC;BRLLMYBBIKWZQG-UHFFFAOYSA-N;140.23;1.54;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_C5";;;;;;;1.64;;-2.12;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM402849;MM402849;COC(=O)OC1C(C)C1C;URPCJCLJUDBYKQ-UHFFFAOYSA-N;144.17;1.42;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_SC5";;;;;;;1.64;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM402850;MM402850;C=CC(CO)CCNCC;NTDGWXSXYUZLSO-UHFFFAOYSA-N;143.23;0.78;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_Nda";;;;;;;0.87;;-4.84;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM402851;MM402851;C=C(CN)CC1C(C)N1C;TUYGUWKYAGIDSZ-UHFFFAOYSA-N;140.23;0.59;;;;;DOPC;MDCG;27;1;"MARTINI bead: SNd_Nd";;;;;;;0.87;;-4.37;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM402852;MM402852;CCNCCC(C=O)CO;KGHZHILIYIXVSL-UHFFFAOYSA-N;145.2;-0.21;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_P2";;;;;;;-0.24;;-5.78;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM402853;MM402853;Cn1oc(=O)c(=NN)n1N;GFTIMZKYQJEWOR-UHFFFAOYSA-N;145.12;-2.73;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP2_SP2";;;;;;;-1.34;;-4.31;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM402854;MM402854;C=CC(CF)CCNCC;UWOWKWXTIFCRGW-UHFFFAOYSA-N;145.22;1.76;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_C4";;;;;;;2.2;;-2.64;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM402855;MM402855;NN=c1c(=O)n(N)on1N;DKHDMYLMGDYYLJ-UHFFFAOYSA-N;146.11;-3.56;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP2_SP3";;;;;;;-2.2;;-5.19;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM402856;MM402856;C=CC(CC)CCOCC;BGRNDOWSQNWOFF-UHFFFAOYSA-N;142.24;2.63;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_C1";;;;;;;3.68;;0.46;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM402857;MM402857;CN=c1nnc(N)nn1N;LSHOHNOFMPXDOG-UHFFFAOYSA-N;141.14;-2.5;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP3_SP2";;;;;;;-2.2;;-5.19;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM402858;MM402858;CCOCCC(C=O)CC;RTBYCTOOAFEVJA-UHFFFAOYSA-N;144.21;1.64;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_C5";;;;;;;2.41;;0.64;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM402859;MM402859;CNC(=N)CC1C(C)N1C;LWEOHEPMRLYCJW-UHFFFAOYSA-N;141.22;0.28;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1_SNd";;;;;;;0.04;;-7.6;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM402860;MM402860;CCOCCC(C#N)CC;HQOZGBDUNQGXRS-UHFFFAOYSA-N;141.21;1.96;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_C5";;;;;;;1.64;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM402861;MM402861;CC1C(CC(=N)NN)N1C;ILAUVWUSHYZSSM-UHFFFAOYSA-N;142.21;-0.48;;;;;DOPC;MDCG;27;1;"MARTINI bead: SNd_P2";;;;;;;-0.24;;-6.57;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM402862;MM402862;C=CC(CN)CCOCC;MLGZGSBUQSRBRF-UHFFFAOYSA-N;143.23;1.17;;;;;DOPC;MDCG;27;1;"MARTINI bead: C5_Nd";;;;;;;1.64;;-2.67;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM402863;MM402863;C=CC(CO)CCOCC;CHMVVPITOWIVDO-UHFFFAOYSA-N;144.21;1.21;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_Nda";;;;;;;1.64;;0.05;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM402864;MM402864;CC1C(CC(=N)NO)N1C;BTHLXHLGLLRPHW-UHFFFAOYSA-N;143.19;0.04;;;;;DOPC;MDCG;27;1;"MARTINI bead: SNd_P2";;;;;;;-0.24;;-5.38;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM402865;MM402865;CCOCCC(C=O)CO;VYCVOQLIDMIXGH-UHFFFAOYSA-N;146.19;0.22;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_P2";;;;;;;-0.24;;-3.24;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM402866;MM402866;C#Cc1nnn(C=O)c1N;RRYJPFAZKSVZOS-UHFFFAOYSA-N;136.11;-1.12;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP1_SP2";;;;;;;-1.06;;-3.82;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM402867;MM402867;CCOCCC(C=O)CF;NSCFDYOEEYOTFO-UHFFFAOYSA-N;148.18;1.2;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_P1";;;;;;;0.81;;-0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM402868;MM402868;C#Cc1[nH]cc(NC)c1C;QHQMCZQUEFMGOU-UHFFFAOYSA-N;134.18;1.35;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNd_SNd";;;;;;;0.87;;-2.11;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM402869;MM402869;CCOCCC(C#N)CF;KFQLYDUGUVFEBW-UHFFFAOYSA-N;145.18;1.52;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_Na";;;;;;;0.87;;-2.22;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM402870;MM402870;CC1C(CC(=O)NO)N1C;HKDOQZWSYYZOSY-UHFFFAOYSA-N;144.17;-0.42;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNd_P3";;;;;;;-1.1;;-3.93;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM402871;MM402871;C=CC(CCCCC)NC;KBZAENRRFWRFCA-UHFFFAOYSA-N;141.26;2.34;;;;;DOPC;MDCG;27;1;"MARTINI bead: C1_Nd";;;;;;;2.91;;-0.32;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM402872;MM402872;COC(=O)CC1C(C)N1C;SYQMZLWDZUOQED-UHFFFAOYSA-N;143.19;0.25;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_SNd";;;;;;;0.87;;-1.88;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM402873;MM402873;C=CC(CCCCO)NC;YTSVUOAQILSMOL-UHFFFAOYSA-N;143.23;0.92;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_Nda";;;;;;;0.87;;-4.45;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM402874;MM402874;C=C(CN)CN1C(C)C1C;DTJVSKWECJSQDC-UHFFFAOYSA-N;140.23;0.59;;;;;DOPC;MDCG;27;1;"MARTINI bead: SNd_P1";;;;;;;0.04;;-4.55;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM402875;MM402875;CCCCCC(C=O)NC;HLORRODRZLVEOU-UHFFFAOYSA-N;143.23;1.35;;;;;DOPC;MDCG;27;1;"MARTINI bead: C1_P2";;;;;;;1.8;;-0.22;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM402876;MM402876;C=Cc1c[nH]c(CF)c1N;LOVMHWNCYFEDCQ-UHFFFAOYSA-N;140.16;1.71;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNda_SN0";;;;;;;1.17;;-1.13;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM402877;MM402877;CCCCCC(C#N)NC;KNWPEQNHDPOJPA-UHFFFAOYSA-N;140.23;1.68;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1_P1";;;;;;;2.08;;0.5;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM402878;MM402878;C=C(CF)CN1C(C)C1C;NWBWHNYOVCZJHT-UHFFFAOYSA-N;143.21;1.6;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNd_Na";;;;;;;0.87;;-1.88;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM402879;MM402879;CNC(C=O)CCCCO;VBMPSJGJMMPAEJ-UHFFFAOYSA-N;145.2;-0.06;;;;;DOPC;MDCG;27;1;"MARTINI bead: P2_Nda";;;;;;;-0.24;;-4.58;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM402880;MM402880;CCC(=O)CN1C(C)C1C;AXQUTVXMCPFZDC-UHFFFAOYSA-N;141.21;1.06;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_SNd";;;;;;;0.87;;-1.88;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM402881;MM402881;CNCCCC(C#N)NC;MBTGYEVKJIEUNN-UHFFFAOYSA-N;141.22;0.1;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_P2";;;;;;;-0.24;;-6.26;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM402882;MM402882;C=Cc1c[nH]c(C=C)c1N;ZKIKLRKJLBUNOD-UHFFFAOYSA-N;134.18;1.88;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNd_SNd";;;;;;;0.87;;-2.11;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM402883;MM402883;CNC(C=O)CCCOC;RBSNNIVXWKIVKM-UHFFFAOYSA-N;145.2;0.2;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nda_P1";;;;;;;0.04;;-3.99;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM402884;MM402884;CNC(=N)CN1C(C)C1C;QXSQWXXEGJDOTP-UHFFFAOYSA-N;141.22;0.28;;;;;DOPC;MDCG;27;1;"MARTINI bead: P3_SNd";;;;;;;-1.1;;-7.79;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM402885;MM402885;CCNCCC(C#N)NC;XCLDZGBAWZVHSE-UHFFFAOYSA-N;141.22;0.1;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_P2";;;;;;;-0.24;;-5;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM402886;MM402886;CC1C(C)N1CC(=N)NN;AECMJOUXBXFABP-UHFFFAOYSA-N;142.21;-0.48;;;;;DOPC;MDCG;27;1;"MARTINI bead: SNd_P4";;;;;;;-1.19;;-7.17;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM402887;MM402887;C=CC(CCOCC)NC;DGJFWQAJJFUNGW-UHFFFAOYSA-N;143.23;1.19;;;;;DOPC;MDCG;27;1;"MARTINI bead: C5_Nd";;;;;;;1.64;;-2.2;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM402888;MM402888;CC1C(C)N1CC(=N)NO;QFPBATAUHICLNW-UHFFFAOYSA-N;143.19;0.04;;;;;DOPC;MDCG;27;1;"MARTINI bead: SNd_P4";;;;;;;-1.19;;-6.05;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM402889;MM402889;CCOCCC(C#N)NC;VUCCZJSEOYUXDI-UHFFFAOYSA-N;142.2;0.52;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_P2";;;;;;;0.54;;-1.09;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM402890;MM402890;C#CC#CC(=O)C1NC1C;QMSYZPSMXUONEA-UHFFFAOYSA-N;133.15;-0.45;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP1_Na";;;;;;;0.04;;-2.54;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM402891;MM402891;C=CC(CCCCC)OC;GHUUIEXEEIVCRY-UHFFFAOYSA-N;142.24;2.77;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1_C5";;;;;;;3.68;;0.46;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM402892;MM402892;C=C(CN1C(C)C1C)OC;LJPVLUSPIWMUAF-UHFFFAOYSA-N;141.21;1.24;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_SNd";;;;;;;0.87;;-1.88;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM402893;MM402893;N#CCC=NNC=CC=O;XAOHZUBTLGTLIR-UHFFFAOYSA-N;137.14;0.19;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_Nd";;;;;;;0.87;;-1.88;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM402894;MM402894;CC1C(C)N1NC(=N)CO;IHSBTRCZBPLPEL-UHFFFAOYSA-N;143.19;-0.45;;;;;DOPC;MDCG;27;1;"MARTINI bead: SNd_P3";;;;;;;-1.1;;-6.15;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM402895;MM402895;C=CC(CCCCF)OC;QSRDVTOEWNGSQN-UHFFFAOYSA-N;146.21;2.33;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_C4";;;;;;;2.97;;0.45;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM402896;MM402896;CC1C(C)N1NC(=N)NN;RKGDWNPESVMZJY-UHFFFAOYSA-N;143.19;-1.02;;;;;DOPC;MDCG;27;1;"MARTINI bead: SNd_P4";;;;;;;-1.19;;-8.24;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM402897;MM402897;CCCCCC(C=O)OC;XNFXMWJPGYGQDP-UHFFFAOYSA-N;144.21;1.78;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1_Na";;;;;;;2.91;;0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM402898;MM402898;CC1C(C)N1NC(=N)NO;DRSITCTUNWEOQV-UHFFFAOYSA-N;144.18;-0.5;;;;;DOPC;MDCG;27;1;"MARTINI bead: SNd_P4";;;;;;;-1.19;;-7.47;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM402899;MM402899;C=CC(CCCNC)OC;BXVPWAJTQYGOEM-UHFFFAOYSA-N;143.23;1.19;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_Na";;;;;;;0.87;;-5.01;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM402900;MM402900;C=CC(=C)CC1C(C)C1C;UPFXSQKLBPYLBV-UHFFFAOYSA-N;136.24;3.02;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC5_C3";;;;;;;3.34;;0.48;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM402901;MM402901;CNCCCC(C=O)OC;UJBKUPGASJBSSA-UHFFFAOYSA-N;145.2;0.2;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_P1";;;;;;;0.04;;-5.65;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM402902;MM402902;C=C(C=O)CC1C(C)C1C;FQIDZXMKHPNENJ-UHFFFAOYSA-N;138.21;2.03;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC5_Na";;;;;;;1.64;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM402903;MM402903;C=CC(CCCOC)OC;DONZBTBHBVEMJS-UHFFFAOYSA-N;144.21;1.61;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_Na";;;;;;;0.87;;-2.22;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM402904;MM402904;C=C(C#N)CC1C(C)C1C;BFCMLHLEHDANIV-UHFFFAOYSA-N;135.21;2.36;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC5_N0";;;;;;;1.94;;0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM402905;MM402905;COCCCC(C#N)OC;BDHGRTBSLPWHDN-UHFFFAOYSA-N;143.19;0.95;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_Na";;;;;;;0.87;;-2.22;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM402906;MM402906;C=CC(=O)CC1C(C)C1C;QJZLMAKOGIKKPJ-UHFFFAOYSA-N;138.21;2.03;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC5_Na";;;;;;;1.64;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM402907;MM402907;C=CC(CCNCC)OC;DTWQWSMWQUEGIP-UHFFFAOYSA-N;143.23;1.19;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_C5";;;;;;;1.64;;-2.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM402908;MM402908;CC1C(C)C1CC(=O)C=O;IUJMLECGCULKEW-UHFFFAOYSA-N;140.18;1.05;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC5_P1";;;;;;;0.81;;-0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM402909;MM402909;C=CC(CCOCC)OC;FGSBHJMOOMOGPB-UHFFFAOYSA-N;144.21;1.61;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_Na";;;;;;;1.64;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM402910;MM402910;CC1C(C)C1CC(=O)C#N;SNWUDJILEMUVSM-UHFFFAOYSA-N;137.18;1.37;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC5_P1";;;;;;;0.81;;-0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM402911;MM402911;CCOCCC(C=O)OC;MSGMLAVDBNCCKY-UHFFFAOYSA-N;146.19;0.63;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_P1";;;;;;;0.81;;-0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM402912;MM402912;C=CC(=C)CC1C(C)C1N;DAZLUIDEUJFUOS-UHFFFAOYSA-N;137.23;1.71;;;;;DOPC;MDCG;27;1;"MARTINI bead: SNd_C3";;;;;;;2.57;;-1.38;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM402913;MM402913;CCOCCC(C#N)OC;KOSCIDPCHIRGAV-UHFFFAOYSA-N;143.19;0.95;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_Na";;;;;;;0.87;;-2.22;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM402914;MM402914;COC(=CF)C1NC1C=O;UFWITYSONRBDAA-UHFFFAOYSA-N;145.13;-0.02;;;;;DOPC;MDCG;27;0;"MARTINI bead: N0_SP2";;;;;;;0.06;;-2.21;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM402915;MM402915;C=CC(CC)CNCCC;YICIEANRMYGMQH-UHFFFAOYSA-N;141.26;2.2;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_C1";;;;;;;2.91;;-1.12;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM402916;MM402916;N#CCC(=N)N1CC1C#N;OJHWWLWAHXZROV-UHFFFAOYSA-N;134.14;0.09;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_SP2";;;;;;;-1.34;;-4.31;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM402917;MM402917;C=CC(CC)CNCCN;YYINPXWUIUGOGR-UHFFFAOYSA-N;142.25;0.75;;;;;DOPC;MDCG;27;1;"MARTINI bead: C1_P3";;;;;;;0.94;;-2.59;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM402918;MM402918;C=COC=NNC=CC#N;CWBCRMAKOLUUCB-UHFFFAOYSA-N;137.14;0.72;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda_N0";;;;;;;1.17;;-1.13;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM402919;MM402919;C=CC(CC)CNCCF;APEBRZPSXCJWQZ-UHFFFAOYSA-N;145.22;1.76;;;;;DOPC;MDCG;27;1;"MARTINI bead: C1_P1";;;;;;;2.08;;-0.19;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM402920;MM402920;C=CC(=O)CC1C(C)C1O;VVMGHSKSHSTJPS-UHFFFAOYSA-N;140.18;0.76;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNda_Na";;;;;;;0.87;;-1.99;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM402921;MM402921;CCC(C=O)CNCCF;CDNKHGQDQFDGET-UHFFFAOYSA-N;147.19;0.77;;;;;DOPC;MDCG;27;1;"MARTINI bead: C5_P1";;;;;;;0.81;;-1.62;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM402922;MM402922;CC1C(O)C1CC(=O)C=O;WLLKCHAERZDCES-UHFFFAOYSA-N;142.15;-0.23;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNda_P1";;;;;;;0.04;;-2.73;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM402923;MM402923;C=CC(CN)CNCCC;DRVMQNHPTLVNKA-UHFFFAOYSA-N;142.25;0.75;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_Nd";;;;;;;0.87;;-5.24;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM402924;MM402924;CC1C(F)C1CC(=O)C=O;ZNLNEDXBBQCQJN-UHFFFAOYSA-N;144.15;0.75;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNa_P1";;;;;;;0.04;;-2.54;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM402925;MM402925;C=CC(CN)CNCCN;OXNYAWWHCJNIDW-UHFFFAOYSA-N;143.23;-0.7;;;;;DOPC;MDCG;27;1;"MARTINI bead: P3_Nd";;;;;;;-1.1;;-6.58;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM402926;MM402926;CC1C(F)C1CC(=O)C#N;IVPFYYVWPKHCLY-UHFFFAOYSA-N;141.15;1.07;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNa_P1";;;;;;;0.04;;-2.54;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM402927;MM402927;C=CC(CN)CNCCF;UILWZNXPQFPVHE-UHFFFAOYSA-N;146.21;0.31;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_P2";;;;;;;-0.24;;-5.62;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM402928;MM402928;C=CC(=C)CC1C(N)C1F;RQLGOTRAAQKORH-UHFFFAOYSA-N;141.19;1.41;;;;;DOPC;MDCG;27;1;"MARTINI bead: SP1_C3";;;;;;;1.74;;-0.64;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM402929;MM402929;C=CC(CO)CNCCC;SSFRQIZMSJQNRC-UHFFFAOYSA-N;143.23;0.78;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_Nda";;;;;;;0.87;;-4.81;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM402930;MM402930;C=CC(=C)CC1C(O)C1O;FUQHDAQBJIPHBV-UHFFFAOYSA-N;140.18;0.47;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP2_C3";;;;;;;1.46;;-0.15;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM402931;MM402931;C=CC(CO)CNCCN;XKPKGUKLWKFGHU-UHFFFAOYSA-N;144.22;-0.67;;;;;DOPC;MDCG;27;1;"MARTINI bead: P3_Nda";;;;;;;-1.1;;-6.39;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM402932;MM402932;C=CC(=C)CC1C(O)C1F;PEGQWCPFGMQCIZ-UHFFFAOYSA-N;142.17;1.45;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP1_C3";;;;;;;1.74;;0.29;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM402933;MM402933;C=CC(CO)CNCCO;INEWMAJMUBWNGE-UHFFFAOYSA-N;145.2;-0.64;;;;;DOPC;MDCG;27;1;"MARTINI bead: P3_Nda";;;;;;;-1.1;;-6.11;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM402934;MM402934;N#CC(=O)CC1C(O)C1F;OUVWIPNDJQYYHG-UHFFFAOYSA-N;143.12;-0.2;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP1_P1";;;;;;;-0.79;;-3.13;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM402935;MM402935;CCCNCC(C=O)CO;DHYLCFJVDXZNOO-UHFFFAOYSA-N;145.2;-0.21;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_P2";;;;;;;-0.24;;-5.43;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM402936;MM402936;C=CC(=N)NC1C(C)C1C;PKHJVKBZPCWBMW-UHFFFAOYSA-N;138.21;1.39;;;;;DOPC;MDCG;27;1;"MARTINI bead: SC5_P2";;;;;;;0.54;;-5.49;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM402937;MM402937;O=CC(CO)CNCCO;UTNMCAVAOXCWRE-UHFFFAOYSA-N;147.17;-1.62;;;;;DOPC;MDCG;27;1;"MARTINI bead: P2_P2";;;;;;;-1.34;;-5.86;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM402938;MM402938;CC1C(C)C1N=C(N)C=O;RPSJYPVAHVNVNO-UHFFFAOYSA-N;140.19;0.2;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC5_P3";;;;;;;-0.33;;-2.01;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM402939;MM402939;CNN=C(C)C=O;HGPQTXYGXVISPQ-UHFFFAOYSA-N;100.12;-0.22;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nd_P2";;;;;;;-0.24;;-3.16;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM402940;MM402940;CC1C(C)C1NC(=N)C#N;JGKHVSCSYICELR-UHFFFAOYSA-N;137.19;0.73;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC5_P2";;;;;;;0.54;;-1.09;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM402941;MM402941;C=CC(CF)CNCCC;UHKKIAXXHUOPSZ-UHFFFAOYSA-N;145.22;1.76;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_C5";;;;;;;1.64;;-2.92;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM402942;MM402942;CC1C(C)C1NC(=O)C#N;QLKSZNPKTHQEKL-UHFFFAOYSA-N;138.17;0.28;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC5_P3";;;;;;;-0.33;;-2.01;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM402943;MM402943;C=CC(CF)CNCCN;WPKWQIAPTZLRLD-UHFFFAOYSA-N;146.21;0.31;;;;;DOPC;MDCG;27;1;"MARTINI bead: P3_C5";;;;;;;-0.33;;-4.54;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM402944;MM402944;C=CC(=N)NC1C(C)C1N;AZTDCVGMUSMATC-UHFFFAOYSA-N;139.2;0.08;;;;;DOPC;MDCG;27;1;"MARTINI bead: SNd_P2";;;;;;;-0.24;;-7.29;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM402945;MM402945;C=CC(CF)CNCCF;ZVUOPBLUYGJZNM-UHFFFAOYSA-N;149.18;1.32;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1_C5";;;;;;;0.81;;-1.88;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM402946;MM402946;CCCCC=NN=CNN;QMACGWBEXDGXRK-UHFFFAOYSA-N;142.21;0.65;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1_P2";;;;;;;1.8;;0.41;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM402947;MM402947;O=CC(CF)CNCCO;QTDVWCFWMGITAO-UHFFFAOYSA-N;149.17;-0.65;;;;;DOPC;MDCG;27;1;"MARTINI bead: P2_P1";;;;;;;-1.06;;-5.54;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM402948;MM402948;N#CC(=O)NC1C(O)C1F;RHXZAFMTLIAVBN-UHFFFAOYSA-N;144.11;-1.29;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP1_P2";;;;;;;-1.06;;-3.82;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM402949;MM402949;C=CC(CNCCN)NC;NVJYMBIFJCSGHU-UHFFFAOYSA-N;143.23;-0.69;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_P3";;;;;;;-1.1;;-6.11;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM402950;MM402950;C=C(C=O)OC1C(C)C1C;FKJHRIGLDGOTMZ-UHFFFAOYSA-N;140.18;1.37;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC5_P2";;;;;;;0.54;;-1.09;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM402951;MM402951;C=CC(CNCCO)NC;JVHHDLKKUNSIBZ-UHFFFAOYSA-N;144.22;-0.66;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_P3";;;;;;;-1.1;;-5.84;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM402952;MM402952;CC1C(C)C1OC(=O)C#N;YVKODKHITVYJRT-UHFFFAOYSA-N;139.15;0.71;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC5_P1";;;;;;;0.81;;-0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM402953;MM402953;CCCNCC(C=O)NC;IFKXXTMJVXSEBG-UHFFFAOYSA-N;144.22;-0.23;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_P2";;;;;;;-0.24;;-4.95;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM402954;MM402954;C=C(C=O)OC1C(C)C1O;YWDNXDPBJCUVDI-UHFFFAOYSA-N;142.15;0.09;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNda_P2";;;;;;;-0.24;;-3.31;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM402955;MM402955;CNC(C=O)CNCCO;BHCIYTGJMFOBFP-UHFFFAOYSA-N;146.19;-1.64;;;;;DOPC;MDCG;27;1;"MARTINI bead: P2_P2";;;;;;;-1.34;;-5.44;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM402956;MM402956;C=CC(=C)OC1C(N)C1N;GQPRUTQVWQNCFU-UHFFFAOYSA-N;140.19;-0.26;;;;;DOPC;MDCG;27;1;"MARTINI bead: SP3_Na";;;;;;;-1.1;;-5.5;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM402957;MM402957;C=CC(CNCCC)OC;HKYADZOZJFTGQW-UHFFFAOYSA-N;143.23;1.19;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_Na";;;;;;;0.87;;-4.45;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM402958;MM402958;C=CC(=C)OC1C(O)C1O;OGFCPOBGYCZUKE-UHFFFAOYSA-N;142.15;-0.19;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP2_Na";;;;;;;-0.24;;-3.24;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM402959;MM402959;C=CC(CNCCN)OC;XOFTVKQNWSXPBA-UHFFFAOYSA-N;144.22;-0.26;;;;;DOPC;MDCG;27;1;"MARTINI bead: C5_P4";;;;;;;-0.41;;-4.96;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM402960;MM402960;C=C(C#N)OC1C(O)C1O;OVLYQSTZFZCUCS-UHFFFAOYSA-N;141.13;-0.86;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP2_Na";;;;;;;-0.24;;-3.24;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM402961;MM402961;COC(C=O)CNCCO;ZFIXYAPEHIFTGZ-UHFFFAOYSA-N;147.17;-1.22;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1_P2";;;;;;;-1.06;;-5.05;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM402962;MM402962;C=C(C=O)CC1C(C)N1C;VLYNAMPLXRZSPM-UHFFFAOYSA-N;139.2;0.83;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNd_Na";;;;;;;0.87;;-1.88;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM402963;MM402963;C=CC(CC)COCCC;WFTVQTFIFKYMGA-UHFFFAOYSA-N;142.24;2.63;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_C1";;;;;;;2.91;;0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM402964;MM402964;C=C(C#N)CC1C(C)N1C;YTGUPRXDQWDSAQ-UHFFFAOYSA-N;136.2;1.16;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNd_N0";;;;;;;1.17;;-1.04;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM402965;MM402965;C=CC(CC)COCCN;USZRKSPZGNDJMY-UHFFFAOYSA-N;143.23;1.17;;;;;DOPC;MDCG;27;1;"MARTINI bead: C1_P2";;;;;;;1.8;;-0.94;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM402966;MM402966;CC=CCC=NN=CNN;HFCHSRMXNBPWPJ-UHFFFAOYSA-N;140.19;0.43;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1_P4";;;;;;;0.85;;-0.64;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM402967;MM402967;C=CC(CC)COCCO;BUHDXGMJGADACA-UHFFFAOYSA-N;144.21;1.21;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1_P2";;;;;;;1.8;;0.4;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM402968;MM402968;CC#CCC=NN=CNN;IXNWWGYLTHWUBC-UHFFFAOYSA-N;138.17;-0.12;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4_P2";;;;;;;1.09;;-0.37;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM402969;MM402969;CCCOCC(C=O)CC;MIKDVHCXIMNAFO-UHFFFAOYSA-N;144.21;1.64;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_C5";;;;;;;1.64;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM402970;MM402970;C=CC1=NN=C(CC)NN1;HZWGATABUNHYCX-UHFFFAOYSA-N;138.17;0.4;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP1_SP1";;;;;;;-0.79;;-3.13;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM402971;MM402971;CCCOCC(C#N)CC;AQVPPSNGYQANAQ-UHFFFAOYSA-N;141.21;1.96;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_N0";;;;;;;1.17;;-1.18;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM402972;MM402972;C=C(C=O)CN1C(C)C1C;JBINOPJGOUGLMX-UHFFFAOYSA-N;139.2;0.83;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNd_Na";;;;;;;0.87;;-1.88;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM402973;MM402973;C=CC(CN)COCCC;QNQBYQBLIMDMIL-UHFFFAOYSA-N;143.23;1.17;;;;;DOPC;MDCG;27;1;"MARTINI bead: Na_Nd";;;;;;;0.87;;-4.58;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM402974;MM402974;C=C(C#N)CN1C(C)C1C;WSNZCOZPKPRXRO-UHFFFAOYSA-N;136.2;1.16;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNd_N0";;;;;;;1.17;;-1.04;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM402975;MM402975;C=CC(CN)COCCO;ZGNLMOLBBMKHEU-UHFFFAOYSA-N;145.2;-0.24;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_P2";;;;;;;-0.24;;-5.85;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM402976;MM402976;C=CC(=O)CN1C(C)C1C;QBDKHCAWGHRTEX-UHFFFAOYSA-N;139.2;0.83;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNd_Na";;;;;;;0.87;;-1.88;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM402977;MM402977;C=CC(CO)COCCC;LRLXXYAZOBSRNK-UHFFFAOYSA-N;144.21;1.21;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_Nda";;;;;;;0.87;;-1.99;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM402978;MM402978;Nc1ccc[nH]1;QLSWIGRIBOSFMV-UHFFFAOYSA-N;82.11;0.6;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP1_SN0";;;;;;;0.34;;-1.53;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM402979;MM402979;C=CC(CO)COCCN;JVGZADBOPJEBRA-UHFFFAOYSA-N;145.2;-0.24;;;;;DOPC;MDCG;27;1;"MARTINI bead: P2_Nda";;;;;;;-0.24;;-5.35;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM402980;MM402980;C=CC(=N)NN1C(C)C1C;ZRPFJTGJDFSKMS-UHFFFAOYSA-N;139.2;0.75;;;;;DOPC;MDCG;27;1;"MARTINI bead: SNd_P1";;;;;;;0.04;;-5.99;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM402981;MM402981;C=CC(CO)COCCO;WJKSLBVAAKKQTO-UHFFFAOYSA-N;146.19;-0.21;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_Nda";;;;;;;-0.24;;-3.31;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM402982;MM402982;CC1C(C)N1N=C(N)C=O;NFEYFXJFUJTHKL-UHFFFAOYSA-N;141.17;-0.45;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP1_P3";;;;;;;-1.93;;-4.72;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM402983;MM402983;C=CC(CO)COCCF;BIYBBJHTOHKZDQ-UHFFFAOYSA-N;148.18;0.77;;;;;DOPC;MDCG;27;0;"MARTINI bead: P3_C4";;;;;;;0.23;;-1.03;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM402984;MM402984;CCC1C(O)C1(C)C;GLHHZEVGHNBEIW-UHFFFAOYSA-N;114.19;1.41;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_SNda";;;;;;;1.64;;0.05;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM402985;MM402985;CCCOCC(C=O)CO;DEKHIGPKCYOKND-UHFFFAOYSA-N;146.19;0.22;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_P2";;;;;;;-0.24;;-3.24;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM402986;MM402986;C#CC(=C)CC1C(C)C1C;VNOPHMLEGZQHHU-UHFFFAOYSA-N;134.22;2.47;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC5_C5";;;;;;;2.41;;0.64;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM402987;MM402987;O=CC(CO)COCCO;UHTYENKNJHHCFH-UHFFFAOYSA-N;148.16;-1.2;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_P2";;;;;;;-1.34;;-4.31;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM402988;MM402988;C#CC(=O)CC1C(C)C1C;GOYJDRNZPDRPLK-UHFFFAOYSA-N;136.19;1.48;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC5_Na";;;;;;;1.64;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM402989;MM402989;N#CC(CO)COCCO;UMLFBRYLIZIQGL-UHFFFAOYSA-N;145.16;-0.87;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_P2";;;;;;;-1.34;;-4.31;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM402990;MM402990;C#CC(=C)CC1C(C)C1N;YLCVMOANMSWSHM-UHFFFAOYSA-N;135.21;1.16;;;;;DOPC;MDCG;27;1;"MARTINI bead: SNd_C5";;;;;;;1.64;;-2.56;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM402991;MM402991;N#CC(CO)COCCF;KAOAMUCTLHEQOI-UHFFFAOYSA-N;147.15;0.1;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_Na";;;;;;;-0.24;;-3.24;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM402992;MM402992;C=CC(F)C(C)=NN;GGBXBIRGKYMMBS-UHFFFAOYSA-N;116.14;0.85;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nd_Na";;;;;;;0.87;;-1.88;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM402993;MM402993;C=CC(CF)COCCC;RGQHPNPCGBJTTG-UHFFFAOYSA-N;146.21;2.18;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_C5";;;;;;;1.64;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM402994;MM402994;C#CC(=O)CC1C(C)C1O;PRTYMFYZPOGGEQ-UHFFFAOYSA-N;138.17;0.21;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNda_Na";;;;;;;0.87;;-1.99;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM402995;MM402995;C=CC(CF)COCCO;BQCSUVJGYZQZJJ-UHFFFAOYSA-N;148.18;0.77;;;;;DOPC;MDCG;27;0;"MARTINI bead: P3_C4";;;;;;;0.23;;-1.03;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM402996;MM402996;C#CC(=C)CC1C(N)C1N;OONRCGCBWIUPFO-UHFFFAOYSA-N;136.2;-0.15;;;;;DOPC;MDCG;27;1;"MARTINI bead: SP3_C5";;;;;;;-0.33;;-4.09;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM402997;MM402997;C=CC(CF)COCCF;NEBZEHBYTWCHRL-UHFFFAOYSA-N;150.17;1.74;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_C5";;;;;;;1.64;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM402998;MM402998;C#CC(=C)CC1C(N)C1F;KWCVXWCKDBLDHY-UHFFFAOYSA-N;139.17;0.86;;;;;DOPC;MDCG;27;1;"MARTINI bead: SP1_C5";;;;;;;0.81;;-1.78;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM402999;MM402999;CCCOCC(C#N)CF;ARAGFKYDYRWJOB-UHFFFAOYSA-N;145.18;1.52;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_Na";;;;;;;0.87;;-2.22;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM403000;MM403000;C#CC(=C)CC1C(O)C1O;VCSSRRNPYPCGBK-UHFFFAOYSA-N;138.17;-0.08;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP2_C5";;;;;;;0.54;;-1.09;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM403001;MM403001;O=CC(CF)COCCO;RJPDVZYMNCZGDL-UHFFFAOYSA-N;150.15;-0.22;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_P1";;;;;;;-1.06;;-3.82;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM403002;MM403002;C#CC(=O)CC1C(O)C1F;PVGNIYCBZJVEQM-UHFFFAOYSA-N;142.13;-0.09;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP1_Na";;;;;;;0.04;;-2.54;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM403003;MM403003;N#CC(CF)COCCO;ZOZXZVGQSIEDSO-UHFFFAOYSA-N;147.15;0.1;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_Na";;;;;;;-0.24;;-3.24;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM403004;MM403004;C#CC(=N)NC1C(C)C1C;HLOLZGRQBBHPHV-UHFFFAOYSA-N;136.2;0.84;;;;;DOPC;MDCG;27;1;"MARTINI bead: SC5_P2";;;;;;;0.54;;-3.77;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM403005;MM403005;C=CC(CC)COCOC;PDDRSGSDAJTDFR-UHFFFAOYSA-N;144.21;1.82;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1_P1";;;;;;;2.08;;0.48;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM403006;MM403006;C#CC(=O)NC1C(C)C1C;UQAVKFWAMUUMCY-UHFFFAOYSA-N;137.18;0.39;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC5_P2";;;;;;;0.54;;-1.09;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM403007;MM403007;CCC(C=O)COCOC;FKFAJQJAINELJD-UHFFFAOYSA-N;146.19;0.83;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_P1";;;;;;;0.81;;-0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM403008;MM403008;C#CC(=O)NC1C(C)C1N;HAKBQPZULPYNRU-UHFFFAOYSA-N;138.17;-0.92;;;;;DOPC;MDCG;27;1;"MARTINI bead: SNd_P2";;;;;;;-0.24;;-4.76;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM403009;MM403009;C=CC(CO)COCOC;RWRBTPUFLVDCFU-UHFFFAOYSA-N;146.19;0.4;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_Nda";;;;;;;0.04;;-2.73;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM403010;MM403010;C#CC(=N)NC1C(N)C1O;BFUBMOVFHVJIJZ-UHFFFAOYSA-N;139.16;-1.74;;;;;DOPC;MDCG;27;1;"MARTINI bead: SP2_P2";;;;;;;-1.34;;-6.05;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM403011;MM403011;COCOCC(C#N)CO;KHNNPINDPNUJIE-UHFFFAOYSA-N;145.16;-0.26;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_P2";;;;;;;-1.06;;-3.82;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM403012;MM403012;C#CC(=N)NC1C(O)C1F;FMRIOHNJOQARSR-UHFFFAOYSA-N;142.13;-0.73;;;;;DOPC;MDCG;27;1;"MARTINI bead: SP1_P2";;;;;;;-1.06;;-5.15;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM403013;MM403013;C=CC(CF)COCOC;VHMQYWPULNHLSG-UHFFFAOYSA-N;148.18;1.38;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_C5";;;;;;;0.81;;-0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM403014;MM403014;C#CC(=O)NC1C(F)C1F;JSONBIZANDPDQK-UHFFFAOYSA-N;145.11;-0.21;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNa_P1";;;;;;;0.04;;-2.54;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM403015;MM403015;COCOCC(C=O)CF;YFYIFKLGTYYERM-UHFFFAOYSA-N;150.15;0.39;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_P1";;;;;;;-0.79;;-3.13;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM403016;MM403016;C#CC(=C)OC1C(C)C1N;IGWKBOAFBBLDRR-UHFFFAOYSA-N;137.18;0.5;;;;;DOPC;MDCG;27;1;"MARTINI bead: SNd_Na";;;;;;;0.87;;-3.74;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM403017;MM403017;C=CC(COCCC)NC;HMWZYMRYSIRCFZ-UHFFFAOYSA-N;143.23;1.19;;;;;DOPC;MDCG;27;1;"MARTINI bead: Na_Nd";;;;;;;0.87;;-3.57;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM403018;MM403018;C#CC(=C)OC1C(N)C1O;IENLBJVHDHKVEZ-UHFFFAOYSA-N;139.15;-0.78;;;;;DOPC;MDCG;27;1;"MARTINI bead: SP2_Na";;;;;;;-0.24;;-4.42;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM403019;MM403019;CCCOCC(C#N)NC;CZTDWBORWJOWMA-UHFFFAOYSA-N;142.2;0.52;;;;;DOPC;MDCG;27;0;"MARTINI bead: C3_P3";;;;;;;0.6;;-0.8;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM403020;MM403020;CCC1(C)C(C)C1O;AGOYXRWCLUIGIT-UHFFFAOYSA-N;114.19;1.41;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC3_P3";;;;;;;0.6;;-0.8;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM403021;MM403021;CON=CC(F)CF;YSDGXJAIHHWDGS-UHFFFAOYSA-N;123.1;0.93;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_Na";;;;;;;0.87;;-2.22;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM403022;MM403022;C#CC(=C)CN1C(C)C1C;IVIVCIWGQOSNCT-UHFFFAOYSA-N;135.21;1.27;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNd_N0";;;;;;;1.17;;-1.04;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM403023;MM403023;C=CC(COCCC)OC;OUXNSZSVTDMRPV-UHFFFAOYSA-N;144.21;1.61;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_Na";;;;;;;0.87;;-2.22;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM403024;MM403024;C#CC(=N)NN1C(C)C1C;HELNZTUEAPFUIJ-UHFFFAOYSA-N;137.19;0.19;;;;;DOPC;MDCG;27;1;"MARTINI bead: SNd_P1";;;;;;;0.04;;-4.18;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM403025;MM403025;C=CC(COCCN)OC;FTRHAGBGBPVCLO-UHFFFAOYSA-N;145.2;0.16;;;;;DOPC;MDCG;27;1;"MARTINI bead: Na_P2";;;;;;;-0.24;;-5.28;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM403026;MM403026;CC=C(C)CC1C(C)C1C;TYSKSQMWAAAORS-UHFFFAOYSA-N;138.25;3.24;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1_SC5";;;;;;;3.68;;0.46;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM403027;MM403027;C=CC(COCCF)OC;NSNSWVGMAMDNNY-UHFFFAOYSA-N;148.18;1.17;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_Na";;;;;;;0.87;;-2.22;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM403028;MM403028;CC(=CF)CC1C(C)C1C;SXEOVDVQEVGONH-UHFFFAOYSA-N;142.22;3.15;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC5_C4";;;;;;;2.97;;0.45;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM403029;MM403029;CCCOCC(C#N)OC;ZODJRDQTTGSWGF-UHFFFAOYSA-N;143.19;0.95;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_Na";;;;;;;0.87;;-2.22;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM403030;MM403030;CC=C(F)CC1C(C)C1C;SCNVCQMAXMOEIE-UHFFFAOYSA-N;142.22;3.15;;;;;DOPC;MDCG;27;0;"MARTINI bead: C3_SC5";;;;;;;3.34;;0.48;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM403031;MM403031;COC(C=O)COCCO;ZZCPFLGCWUKRMF-UHFFFAOYSA-N;148.16;-0.79;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_P2";;;;;;;-1.06;;-3.82;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM403032;MM403032;CC1C(C)C1CC(F)=CF;VMTCFNHEQTZMTM-UHFFFAOYSA-N;146.18;3.06;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC5_C5";;;;;;;2.41;;0.64;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM403033;MM403033;COCOCC(C=O)OC;DBBRQSFFLOLMCE-UHFFFAOYSA-N;148.16;-0.18;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_Na";;;;;;;-0.24;;-3.24;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM403034;MM403034;CC=C(C)CC1C(C)C1N;MMJFSQUSOFBVOD-UHFFFAOYSA-N;139.24;1.94;;;;;DOPC;MDCG;27;1;"MARTINI bead: C1_SNd";;;;;;;2.91;;-0.43;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM403035;MM403035;C=CC(CC)NCCCC;JTCKOCSHNQEVCT-UHFFFAOYSA-N;141.26;2.34;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_C1";;;;;;;2.91;;-0.51;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM403036;MM403036;CC=C(F)CC1C(C)C1N;UXFBFXZNIUTMBM-UHFFFAOYSA-N;143.21;1.84;;;;;DOPC;MDCG;27;1;"MARTINI bead: C3_SNd";;;;;;;2.57;;-1.38;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM403037;MM403037;C=CC(CC)NCCCN;JEYVZMUJACGFKD-UHFFFAOYSA-N;142.25;0.89;;;;;DOPC;MDCG;27;1;"MARTINI bead: C1_P3";;;;;;;0.94;;-2.46;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM403038;MM403038;CC1C(N)C1CC(F)=CF;DTRMXMBOGAOKLO-UHFFFAOYSA-N;147.17;1.75;;;;;DOPC;MDCG;27;1;"MARTINI bead: SNd_C5";;;;;;;1.64;;-2.56;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM403039;MM403039;C=CC(CC)NCCCF;PAAJYSCGUYFXKP-UHFFFAOYSA-N;145.22;1.9;;;;;DOPC;MDCG;27;1;"MARTINI bead: C1_P1";;;;;;;2.08;;-0.77;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM403040;MM403040;CNC1=NC(=O)C=N1;SGHLLEPKORTCLM-UHFFFAOYSA-N;111.1;-0.83;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP1_SP1";;;;;;;-0.79;;-3.13;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM403041;MM403041;CCCCNC(C=O)CC;MBTLOVAZYVFMBE-UHFFFAOYSA-N;143.23;1.35;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_C5";;;;;;;1.64;;-1.4;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM403042;MM403042;C=NN1CC(=O)C1C;DZYDSEHVEANHEY-UHFFFAOYSA-N;112.13;-0.12;;;;;DOPC;MDCG;27;0;"MARTINI bead: SN0_SP3";;;;;;;-0.8;;-2.99;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM403043;MM403043;CCCCNC(C#N)CC;YCUXVAMULDVQLM-UHFFFAOYSA-N;140.23;1.68;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nd_N0";;;;;;;1.17;;-1.04;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM403044;MM403044;CC=C(F)CC1C(C)C1O;PIFHPPXKKCKDOR-UHFFFAOYSA-N;144.19;1.88;;;;;DOPC;MDCG;27;0;"MARTINI bead: C3_SNda";;;;;;;2.57;;0.44;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM403045;MM403045;CCC(C=O)NCCCF;DLHMTYRCXQXFDF-UHFFFAOYSA-N;147.19;0.91;;;;;DOPC;MDCG;27;1;"MARTINI bead: C5_P1";;;;;;;0.81;;-1.63;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM403046;MM403046;CC1C(O)C1CC(F)=CF;OMZNFEGRQHNVHJ-UHFFFAOYSA-N;148.15;1.78;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNda_C5";;;;;;;1.64;;0.05;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM403047;MM403047;CCC(C#N)NCCCF;JICWFQNQDIHRKQ-UHFFFAOYSA-N;144.19;1.24;;;;;DOPC;MDCG;27;0;"MARTINI bead: N0_P1";;;;;;;0.34;;-1.53;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM403048;MM403048;CC(=CF)CC1C(N)C1N;XIRMBTMXEGKPLV-UHFFFAOYSA-N;144.19;0.53;;;;;DOPC;MDCG;27;1;"MARTINI bead: C4_SP3";;;;;;;0.23;;-3.11;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM403049;MM403049;C=CC(CN)NCCCC;UUBLLASRTIJPOQ-UHFFFAOYSA-N;142.25;0.89;;;;;DOPC;MDCG;27;1;"MARTINI bead: C1_P3";;;;;;;0.94;;-2.12;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM403050;MM403050;CC=C(F)CC1C(N)C1N;PTVZYEGMJJKBTQ-UHFFFAOYSA-N;144.19;0.53;;;;;DOPC;MDCG;27;1;"MARTINI bead: C3_SP3";;;;;;;0.6;;-2.84;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM403051;MM403051;C=CC(CN)NCCCN;ACXHDTYSBLVZJC-UHFFFAOYSA-N;143.23;-0.56;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_P3";;;;;;;-1.1;;-6.5;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM403052;MM403052;CC=C(C)CC1C(N)C1O;MHRDCWYNUGBEOD-UHFFFAOYSA-N;141.21;0.66;;;;;DOPC;MDCG;27;1;"MARTINI bead: C1_SP2";;;;;;;1.8;;-0.86;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM403053;MM403053;C=CC(CN)NCCCO;IONOXJKBYRZLAP-UHFFFAOYSA-N;144.22;-0.53;;;;;DOPC;MDCG;27;1;"MARTINI bead: P3_Nda";;;;;;;-1.1;;-6.07;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM403054;MM403054;CC(=CF)CC1C(N)C1O;CJLZCNYACPPNFI-UHFFFAOYSA-N;145.18;0.57;;;;;DOPC;MDCG;27;1;"MARTINI bead: C4_SP2";;;;;;;1.09;;-2.3;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM403055;MM403055;C=CC(CO)NCCCC;ANJFMSZCUIYPIT-UHFFFAOYSA-N;143.23;0.92;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_Nda";;;;;;;0.87;;-3.92;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM403056;MM403056;NC1C(O)C1CC(F)=CF;IJSDZVWOTMUMTA-UHFFFAOYSA-N;149.14;0.47;;;;;DOPC;MDCG;27;1;"MARTINI bead: SP2_C5";;;;;;;0.54;;-3.04;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM403057;MM403057;C=CC(CO)NCCCN;LZJOKALZWTVBFU-UHFFFAOYSA-N;144.22;-0.53;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_P3";;;;;;;-1.1;;-6.43;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM403058;MM403058;CC=C(C)CC1C(N)C1F;ORXPPBCKAOLEMX-UHFFFAOYSA-N;143.21;1.64;;;;;DOPC;MDCG;27;1;"MARTINI bead: C1_SP1";;;;;;;2.08;;0.15;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM403059;MM403059;C=CC(CO)NCCCO;UKERWFHVGISIFV-UHFFFAOYSA-N;145.2;-0.49;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1_P2";;;;;;;-1.06;;-5.32;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM403060;MM403060;CC=C(C)CC1C(O)C1O;ZAPYHPRYXDZXIF-UHFFFAOYSA-N;142.2;0.69;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1_SP2";;;;;;;1.8;;0.4;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM403061;MM403061;CC1C(=O)CN1C=O;PBJPNYUKLXCIGA-UHFFFAOYSA-N;113.12;-0.58;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNda_SP3";;;;;;;-1.1;;-3.97;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM403062;MM403062;CC(=CF)CC1C(O)C1O;SIGNHIUSIDOZJP-UHFFFAOYSA-N;146.16;0.6;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4_SP2";;;;;;;1.09;;-0.38;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM403063;MM403063;CNN=c1ocno1;KGUQONQJLAYHRG-UHFFFAOYSA-N;115.09;-0.7;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_SP2";;;;;;;-1.34;;-4.31;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM403064;MM403064;CC=C(C)CC1C(O)C1F;OJIJGXGFQOVINA-UHFFFAOYSA-N;144.19;1.67;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1_SP1";;;;;;;2.08;;0.48;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM403065;MM403065;C=CC(CF)NCCCC;DKNMHVSFJBNDNH-UHFFFAOYSA-N;145.22;1.9;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_C5";;;;;;;1.64;;-0.97;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM403066;MM403066;CC(CC1C(C)C1C)=NO;YZOCOBLAWZJFCB-UHFFFAOYSA-N;141.21;2.13;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC5_Nda";;;;;;;1.64;;0.05;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM403067;MM403067;C=CC(CF)NCCCN;DUHWBTZPHSSXIX-UHFFFAOYSA-N;146.21;0.45;;;;;DOPC;MDCG;27;1;"MARTINI bead: P2_Na";;;;;;;-0.24;;-5.7;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM403068;MM403068;CC(CC1C(C)C1N)=NO;XNZFXHSGXMKNIL-UHFFFAOYSA-N;142.2;0.82;;;;;DOPC;MDCG;27;1;"MARTINI bead: SNd_Nda";;;;;;;0.87;;-4.48;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM403069;MM403069;CCCCNC(C#N)CF;HZYOESIFSVLMCS-UHFFFAOYSA-N;144.19;1.24;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nd_Na";;;;;;;0.87;;-1.88;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM403070;MM403070;C=NN=C1CCNN1;GWBKOEFXYGODMB-UHFFFAOYSA-N;112.14;-0.5;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP2_SP2";;;;;;;-1.34;;-4.31;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM403071;MM403071;CCC(C=O)NCCNC;DWSYPGUVIPGGGK-UHFFFAOYSA-N;144.22;-0.23;;;;;DOPC;MDCG;27;1;"MARTINI bead: C5_P3";;;;;;;-0.33;;-4.04;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM403072;MM403072;CC(CC1C(C)C1O)=NO;KIANESRALCBFJX-UHFFFAOYSA-N;143.19;0.85;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNda_Nda";;;;;;;0.87;;-2.07;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM403073;MM403073;C=CC(CO)NCCNC;ZESBNIDPLBCCLZ-UHFFFAOYSA-N;144.22;-0.66;;;;;DOPC;MDCG;27;1;"MARTINI bead: P3_Nda";;;;;;;-1.1;;-6.12;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM403074;MM403074;CC(CC1C(N)C1N)=NO;NRVZCGYNPLSLQM-UHFFFAOYSA-N;143.19;-0.49;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nda_SP3";;;;;;;-1.1;;-6.01;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM403075;MM403075;CNCCNC(C=O)CO;SBQABMUHCROMOD-UHFFFAOYSA-N;146.19;-1.64;;;;;DOPC;MDCG;27;1;"MARTINI bead: P3_P2";;;;;;;-2.2;;-7.21;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM403076;MM403076;CC(CC1C(N)C1O)=NO;TXEHPLFKRXDLIV-UHFFFAOYSA-N;144.17;-0.46;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nda_SP2";;;;;;;-0.24;;-5.22;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM403077;MM403077;C=CC(CC)NCCOC;RQHYXUZDMZHRNI-UHFFFAOYSA-N;143.23;1.19;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_Na";;;;;;;0.87;;-3.8;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM403078;MM403078;CCN1CC1C(C)=O;ITMMEZKGTIZZAJ-UHFFFAOYSA-N;113.16;0.28;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNd_Na";;;;;;;0.87;;-1.88;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM403079;MM403079;CCC(C#N)NCCOC;AJRHOEFAZFJFJI-UHFFFAOYSA-N;142.2;0.52;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_P2";;;;;;;0.54;;-1.09;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM403080;MM403080;CC(CC1C(O)C1O)=NO;ZAUBQJIXHZJFMN-UHFFFAOYSA-N;145.16;-0.42;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda_SP2";;;;;;;-0.24;;-3.31;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM403081;MM403081;CC(C)=CCC(C)(C)O;UNJMHSMMBYSDDK-UHFFFAOYSA-N;128.22;2.11;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4_Nda";;;;;;;2.2;;0.49;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM403082;MM403082;CN=C(C)NC1C(C)C1C;SIRBSOZJNGARQR-UHFFFAOYSA-N;140.23;1.28;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1_SC5";;;;;;;0.81;;-4.6;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM403083;MM403083;COCCNC(C#N)CF;URDNHFDIHCLKAT-UHFFFAOYSA-N;146.17;0.08;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_P2";;;;;;;-0.24;;-3.24;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM403084;MM403084;CC(=NC1C(C)C1C)NN;ULWYVGVACSNAJC-UHFFFAOYSA-N;141.22;0.52;;;;;DOPC;MDCG;27;1;"MARTINI bead: SC5_P2";;;;;;;0.54;;-3.51;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM403085;MM403085;C=CC(CC)OCCCC;TZAGOPMLHJGEPI-UHFFFAOYSA-N;142.24;2.77;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_C1";;;;;;;2.91;;0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM403086;MM403086;CN=C(C)NC1C(C)C1N;DPOGBNGWNWXHMF-UHFFFAOYSA-N;141.22;-0.03;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1_SNd";;;;;;;0.04;;-6.44;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM403087;MM403087;C=CC(CC)OCCCN;SQXROLOTEFZNFD-UHFFFAOYSA-N;143.23;1.32;;;;;DOPC;MDCG;27;1;"MARTINI bead: C1_P2";;;;;;;1.8;;-1.6;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM403088;MM403088;CN=C(C)NC1C(N)C1N;BMDHOKRAXKHNPV-UHFFFAOYSA-N;142.21;-1.34;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1_SP3";;;;;;;-1.93;;-8.05;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM403089;MM403089;C=CC(CC)OCCCO;KKGQOPACYHUQKE-UHFFFAOYSA-N;144.21;1.35;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1_P3";;;;;;;0.94;;0.03;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM403090;MM403090;CC=C(C)OC1C(C)C1C;PYVYOUCXMMVCQH-UHFFFAOYSA-N;140.23;2.58;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_SC5";;;;;;;1.64;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM403091;MM403091;C=CC(CC)OCCCF;BFOGGBBBKQSBCW-UHFFFAOYSA-N;146.21;2.33;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1_P1";;;;;;;2.08;;0.48;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM403092;MM403092;CC(=CF)OC1C(C)C1C;PLSQHMDWVPOETG-UHFFFAOYSA-N;144.19;2.49;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC5_Na";;;;;;;1.64;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM403093;MM403093;CCCCOC(C=O)CC;OTKOCZJIKIWFIJ-UHFFFAOYSA-N;144.21;1.78;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_C5";;;;;;;1.64;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM403094;MM403094;CC=C(C)OC1C(C)C1N;LDQLRYLWYNVAPT-UHFFFAOYSA-N;141.21;1.27;;;;;DOPC;MDCG;27;1;"MARTINI bead: Na_SNd";;;;;;;0.87;;-3.74;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM403095;MM403095;CCCCOC(C#N)CC;ZCEXYJCGWFIMLN-UHFFFAOYSA-N;141.21;2.11;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_N0";;;;;;;1.17;;-1.18;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM403096;MM403096;CC(=CF)OC1C(C)C1N;YDYIEEDADGSKTL-UHFFFAOYSA-N;145.18;1.18;;;;;DOPC;MDCG;27;1;"MARTINI bead: SNd_Na";;;;;;;0.87;;-3.74;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM403097;MM403097;CCC(C=O)OCCCF;HIAOOMUMVCVPDF-UHFFFAOYSA-N;148.18;1.34;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_P1";;;;;;;0.81;;-0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM403098;MM403098;CC=C(C)OC1C(C)C1O;MTOHTSHHVWCZAY-UHFFFAOYSA-N;142.2;1.31;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_SNda";;;;;;;0.87;;-1.99;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM403099;MM403099;C=CC(CN)OCCCC;MYOUARGVQQJILN-UHFFFAOYSA-N;143.23;1.32;;;;;DOPC;MDCG;27;1;"MARTINI bead: Na_Nd";;;;;;;0.87;;-3.91;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM403100;MM403100;CC=C(C)OC1C(C)C1F;PEUIQQYKAMKTAR-UHFFFAOYSA-N;144.19;2.28;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_SNa";;;;;;;0.87;;-2.22;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM403101;MM403101;C=CC(CN)OCCCF;GHMZTRNYBQBBPC-UHFFFAOYSA-N;147.19;0.88;;;;;DOPC;MDCG;27;1;"MARTINI bead: P3_C4";;;;;;;0.23;;-3.03;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM403102;MM403102;CC=C(C)OC1C(N)C1N;FEVUPJZPYYPADQ-UHFFFAOYSA-N;142.2;-0.04;;;;;DOPC;MDCG;27;1;"MARTINI bead: Na_SP3";;;;;;;-1.1;;-5.5;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM403103;MM403103;C=CC(CO)OCCCC;JBJCSOZGSVVJBW-UHFFFAOYSA-N;144.21;1.35;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_Nda";;;;;;;0.87;;-1.99;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM403104;MM403104;CC=C(C)OC1C(O)C1O;LHANASSJVIEOKJ-UHFFFAOYSA-N;144.17;0.03;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_SP2";;;;;;;-0.24;;-3.24;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM403105;MM403105;C=CC(CO)OCCCO;TWLFJVCTJFXAPT-UHFFFAOYSA-N;146.19;-0.07;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda_P2";;;;;;;-0.24;;-3.31;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM403106;MM403106;CC=C(F)CC1C(C)N1C;FQXMHDNEDFOUFK-UHFFFAOYSA-N;143.21;1.95;;;;;DOPC;MDCG;27;0;"MARTINI bead: C3_SNd";;;;;;;2.57;;0.57;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM403107;MM403107;O=CC(CO)OCCCO;NWAJXQIGWUHOTA-UHFFFAOYSA-N;148.16;-1.05;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda_P4";;;;;;;-1.19;;-4.91;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM403108;MM403108;CC(CC1C(C)N1C)=NN;AAJNZPTZLDRORR-UHFFFAOYSA-N;141.22;0.41;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNd_Nd";;;;;;;0.87;;-2.11;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM403109;MM403109;N#CC(CO)OCCCO;PCBZXDFZYMUOPA-UHFFFAOYSA-N;145.16;-0.73;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda_P4";;;;;;;-1.19;;-4.91;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM403110;MM403110;C=C(C=CC)C(C)(C)O;ZREMMEXUINWXJE-UHFFFAOYSA-N;126.2;1.89;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1_Nda";;;;;;;2.91;;0.57;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM403111;MM403111;C=CC(CF)OCCCC;WPGKPILFIYDKQX-UHFFFAOYSA-N;146.21;2.33;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_C5";;;;;;;1.64;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM403112;MM403112;CC(=CF)CN1C(C)C1C;YNLOMLGRDJEEJW-UHFFFAOYSA-N;143.21;1.95;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNd_C4";;;;;;;2.2;;0.33;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM403113;MM403113;CCCCOC(C#N)CF;CMWMFZLYIDURDD-UHFFFAOYSA-N;145.18;1.66;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_Na";;;;;;;0.87;;-2.22;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM403114;MM403114;CC1C(C)N1CC(F)=CF;IOLIXBLTYCCMJX-UHFFFAOYSA-N;147.17;1.86;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNd_C5";;;;;;;1.64;;0.02;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM403115;MM403115;C=CC(CC)OCCNC;IJDBLDFOTDJTBT-UHFFFAOYSA-N;143.23;1.19;;;;;DOPC;MDCG;27;1;"MARTINI bead: C1_P2";;;;;;;1.8;;-1.16;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM403116;MM403116;CCC(C)=CC1C(C)C1C;FWBIPQNSXAMUOQ-UHFFFAOYSA-N;138.25;3.24;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1_SC5";;;;;;;3.68;;0.46;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM403117;MM403117;C=CC(CO)OCCNC;YSIZUNSCRSAVEZ-UHFFFAOYSA-N;145.2;-0.23;;;;;DOPC;MDCG;27;1;"MARTINI bead: P2_Nda";;;;;;;-0.24;;-5.58;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM403118;MM403118;CC(=CC1C(C)C1C)CN;CXQQYPWHEUDTIG-UHFFFAOYSA-N;139.24;1.79;;;;;DOPC;MDCG;27;1;"MARTINI bead: SC5_Nd";;;;;;;1.64;;-2.15;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM403119;MM403119;CNCCOC(C=O)CO;LXZMFORVMUZNJW-UHFFFAOYSA-N;147.17;-1.22;;;;;DOPC;MDCG;27;1;"MARTINI bead: P2_P2";;;;;;;-1.34;;-6.48;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM403120;MM403120;CC(=CC1C(C)C1C)CO;GLMZWQRTNAAAKC-UHFFFAOYSA-N;140.23;1.83;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC5_Nda";;;;;;;1.64;;0.05;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM403121;MM403121;CNCCOC(C#N)CO;HZHTUQBABWOWMI-UHFFFAOYSA-N;144.17;-0.89;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_P4";;;;;;;-1.19;;-7.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM403122;MM403122;CCC(C)=CC1C(C)C1N;CLJIFGPHZFPNPR-UHFFFAOYSA-N;139.24;1.94;;;;;DOPC;MDCG;27;1;"MARTINI bead: C1_SNd";;;;;;;2.91;;-0.4;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM403123;MM403123;CNCCOC(C#N)CF;IQFGSMYNYIGYGJ-UHFFFAOYSA-N;146.17;0.08;;;;;DOPC;MDCG;27;1;"MARTINI bead: P2_Na";;;;;;;-0.24;;-5.5;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM403124;MM403124;C#CCCC(C)(O)C=C;FGJHFJUSLZLFHW-UHFFFAOYSA-N;124.18;1.34;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda_C5";;;;;;;1.64;;0.05;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM403125;MM403125;C=CC(CC)OCCOC;SOFGFMLMTYYPRJ-UHFFFAOYSA-N;144.21;1.61;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1_P2";;;;;;;1.8;;0.4;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM403126;MM403126;CCC1(C)CC1C(C)O;DPNZZGDUPOLYAU-UHFFFAOYSA-N;128.22;1.8;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC3_P1";;;;;;;1.74;;0.29;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM403127;MM403127;CCC(C=O)OCCOC;SUBLDMUPQAGDFT-UHFFFAOYSA-N;146.19;0.63;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_P2";;;;;;;0.54;;-1.09;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM403128;MM403128;CCC1(C)CCC(O)C1;DFZYWVJRAXPKDN-UHFFFAOYSA-N;128.22;1.95;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC1_SNda";;;;;;;2.91;;0.57;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM403129;MM403129;C=CC(CN)OCCOC;JQUBVXRQPAHUFU-UHFFFAOYSA-N;145.2;0.16;;;;;DOPC;MDCG;27;1;"MARTINI bead: P2_Nd";;;;;;;-0.24;;-5.18;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM403130;MM403130;CC(=CC1C(N)C1N)CO;YWQAHHZVMXXTGQ-UHFFFAOYSA-N;142.2;-0.79;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nda_SP3";;;;;;;-1.1;;-6.01;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM403131;MM403131;COCCOC(C=O)CO;AIAAXKHGWLANGB-UHFFFAOYSA-N;148.16;-0.79;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_P4";;;;;;;-1.19;;-4.76;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM403132;MM403132;CC(=CC1C(N)C1N)CF;GEEMRYYINVINCA-UHFFFAOYSA-N;144.19;0.19;;;;;DOPC;MDCG;27;1;"MARTINI bead: C4_SP3";;;;;;;0.23;;-3.07;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM403133;MM403133;COCCOC(C#N)CF;MOJLRSRMRAWSTI-UHFFFAOYSA-N;147.15;0.51;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_Na";;;;;;;0.04;;-2.54;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM403134;MM403134;CC(=CC1C(N)C1O)CN;LVGNZUVYFOVHCD-UHFFFAOYSA-N;142.2;-0.79;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_SP2";;;;;;;-0.24;;-5.56;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM403135;MM403135;CCOCOC(C=O)CC;QRRLKKSZWUGAOB-UHFFFAOYSA-N;146.19;0.97;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_C5";;;;;;;0.81;;-0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM403136;MM403136;CCC(C)=CC1C(N)C1F;IEPCDZUHXYRDEB-UHFFFAOYSA-N;143.21;1.64;;;;;DOPC;MDCG;27;1;"MARTINI bead: C1_SP1";;;;;;;2.08;;0.18;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM403137;MM403137;C=CC(CN)OCOCC;XAWNIHAXMUEOCQ-UHFFFAOYSA-N;145.2;0.51;;;;;DOPC;MDCG;27;1;"MARTINI bead: P2_N0";;;;;;;0.06;;-4.23;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM403138;MM403138;COC(C)=CC1C(C)C1C;LXWHFYHDQHRAQZ-UHFFFAOYSA-N;140.23;2.44;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_SC5";;;;;;;2.41;;0.64;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM403139;MM403139;CCOCOC(C=O)CO;DJTQEIJUWHKPOP-UHFFFAOYSA-N;148.16;-0.44;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_P2";;;;;;;-1.06;;-3.82;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM403140;MM403140;COC(C)=CC1C(C)C1N;MWZAKJDOQGPTSF-UHFFFAOYSA-N;141.21;1.13;;;;;DOPC;MDCG;27;1;"MARTINI bead: C5_SNd";;;;;;;1.64;;-2.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM403141;MM403141;C=CC(OC)OCCCC;QZZXUPGOQACIOS-UHFFFAOYSA-N;144.21;1.96;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1_P1";;;;;;;2.08;;0.48;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM403142;MM403142;COC(C)=CC1C(C)C1O;HYQXIEOKPKQOLX-UHFFFAOYSA-N;142.2;1.16;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_SNda";;;;;;;1.64;;0.05;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM403143;MM403143;C=CC(OC)OCCCO;RORWDXHIBFJYGW-UHFFFAOYSA-N;146.19;0.54;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_Nda";;;;;;;0.04;;-2.73;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM403144;MM403144;COC(C)=CC1C(C)C1F;JNZKLTSHOZRPTK-UHFFFAOYSA-N;144.19;2.14;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_SNa";;;;;;;1.64;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM403145;MM403145;COC(C)=CC1C(N)C1N;VVLLEFGMHHBIKP-UHFFFAOYSA-N;142.2;-0.18;;;;;DOPC;MDCG;27;1;"MARTINI bead: C5_SP3";;;;;;;-0.33;;-4.05;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM403146;MM403146;CCCCOC(C=O)OC;JZUAUHPSTXPMJH-UHFFFAOYSA-N;146.19;0.97;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1_P3";;;;;;;0.94;;0.03;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM403147;MM403147;COC(C)=CC1C(N)C1F;IACLLNBOXDBLPU-UHFFFAOYSA-N;145.18;0.83;;;;;DOPC;MDCG;27;1;"MARTINI bead: C5_SP1";;;;;;;0.81;;-1.73;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM403148;MM403148;COC(C=O)OCCCO;SLMLPGFMFWKRNE-UHFFFAOYSA-N;148.16;-0.44;;;;;DOPC;MDCG;27;0;"MARTINI bead: P3_Nda";;;;;;;-1.1;;-3.97;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM403149;MM403149;CC(=CC1C(C)N1C)CN;QUQUEQLXALVQRS-UHFFFAOYSA-N;140.23;0.59;;;;;DOPC;MDCG;27;1;"MARTINI bead: SNd_Nd";;;;;;;0.87;;-4.37;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM403150;MM403150;C=CC(OC)OCCNC;NHYWTFHJSQDWGT-UHFFFAOYSA-N;145.2;0.38;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_P1";;;;;;;0.04;;-4.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM403151;MM403151;C=CC(C)CC1(O)CC1;ILSWSGJHOZMIHH-UHFFFAOYSA-N;126.2;1.72;;;;;DOPC;MDCG;27;0;"MARTINI bead: C3_SNda";;;;;;;2.57;;0.44;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM403152;MM403152;CNCCOC(C=O)OC;GYOQNQHCAZFOCA-UHFFFAOYSA-N;147.17;-0.61;;;;;DOPC;MDCG;27;1;"MARTINI bead: P2_P1";;;;;;;-1.06;;-5.99;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM403153;MM403153;COC(C)=CC1C(C)N1C;XGEVFGUEURKADV-UHFFFAOYSA-N;141.21;1.24;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_SNd";;;;;;;1.64;;0.03;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM403154;MM403154;CCCCCN(C=N)CC;HNQUROAZGVWNMG-UHFFFAOYSA-N;142.25;2.11;;;;;DOPC;MDCG;27;1;"MARTINI bead: C1_Nd";;;;;;;2.91;;-2.05;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM403155;MM403155;CCC(C)=NN1C(C)C1C;FLIOWQLSXFPBQF-UHFFFAOYSA-N;140.23;1.86;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_SP1";;;;;;;0.81;;-0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM403156;MM403156;CCN(C=N)CCCCO;NRFVNQICUYYHPY-UHFFFAOYSA-N;144.22;0.69;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_P1";;;;;;;0.04;;-6.94;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM403157;MM403157;CC(CF)=NN1C(C)C1C;UZDFKTFMEFEJSN-UHFFFAOYSA-N;144.19;1.42;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP1_P1";;;;;;;-0.79;;-3.13;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM403158;MM403158;CCN(C=N)CCCCF;QROIVPZRSSPWPS-UHFFFAOYSA-N;146.21;1.67;;;;;DOPC;MDCG;27;1;"MARTINI bead: P2_C4";;;;;;;1.09;;-4.59;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM403159;MM403159;C=CC(C)=CC1C(C)C1C;NOXAFPWOIDOAEV-UHFFFAOYSA-N;136.24;3.02;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC5_C3";;;;;;;3.34;;0.48;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM403160;MM403160;CCCCCN(C=O)CC;JZGNEWMJYBRCAQ-UHFFFAOYSA-N;143.23;1.65;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1_P1";;;;;;;2.08;;0.48;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM403161;MM403161;CC(C=O)=CC1C(C)C1C;OHAUUDXGPBCIQS-UHFFFAOYSA-N;138.21;2.03;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC5_Na";;;;;;;1.64;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM403162;MM403162;CC#CCC(C)(O)CC;WZDIXVHXYBWYDR-UHFFFAOYSA-N;126.2;1.56;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda_C4";;;;;;;2.2;;0.49;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM403163;MM403163;CC(C#N)=CC1C(C)C1C;VJFPSIFHNRLDGL-UHFFFAOYSA-N;135.21;2.36;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC5_N0";;;;;;;1.94;;0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM403164;MM403164;CCN(C=N)CCCNC;HZSBHGJTCHARSL-UHFFFAOYSA-N;143.23;0.52;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_P2";;;;;;;-0.24;;-7.38;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM403165;MM403165;CC(=O)CC1(CF)CN1;AHHDEYXZUPIJMV-UHFFFAOYSA-N;131.15;0.28;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_SP1";;;;;;;-0.79;;-3.13;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM403166;MM403166;CCN(C=O)CCCNC;LHNNDOAPJJAXRP-UHFFFAOYSA-N;144.22;0.07;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1_Nd";;;;;;;0.04;;-5.48;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM403167;MM403167;C=CC(C)=CC1C(N)C1N;ZROGVPVXTBFWGG-UHFFFAOYSA-N;138.21;0.4;;;;;DOPC;MDCG;27;1;"MARTINI bead: C3_SP3";;;;;;;0.6;;-2.81;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM403168;MM403168;CCNCCN(C=N)CC;XMEFRZSWPHHFAC-UHFFFAOYSA-N;143.23;0.52;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1_Nd";;;;;;;0.04;;-6.67;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM403169;MM403169;C=CC(F)=CC1C(N)C1O;INPVJVDSJHEKCN-UHFFFAOYSA-N;143.16;0.34;;;;;DOPC;MDCG;27;1;"MARTINI bead: SP2_C4";;;;;;;1.09;;-2.25;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM403170;MM403170;CCOCCN(C=N)CC;FXIAWXBABDUPEN-UHFFFAOYSA-N;144.22;0.95;;;;;DOPC;MDCG;27;1;"MARTINI bead: Na_Nd";;;;;;;0.87;;-5.69;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM403171;MM403171;CC(C=O)=CC1C(O)C1F;BIXXJYRYWNUIAH-UHFFFAOYSA-N;144.15;0.46;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_SP1";;;;;;;0.04;;-2.54;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM403172;MM403172;C=NN(CC)CCCCC;BTHSLSSPMMQUFV-UHFFFAOYSA-N;142.25;2.11;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1_P1";;;;;;;2.08;;0.48;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM403173;MM403173;C=CC(C)=CC1C(C)N1C;MCPCEQQAXVQXJS-UHFFFAOYSA-N;137.23;1.82;;;;;DOPC;MDCG;27;0;"MARTINI bead: C3_SNd";;;;;;;2.57;;0.56;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM403174;MM403174;C=NN(CC)CCOCC;BMWDQBUAZFFRID-UHFFFAOYSA-N;144.22;0.96;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_P1";;;;;;;0.81;;-0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM403175;MM403175;CC(C=O)=CN1C(C)C1C;OWOUMKIDGGKGNH-UHFFFAOYSA-N;139.2;1.18;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP1_Na";;;;;;;0.04;;-2.54;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM403176;MM403176;CNN(C=N)CCCCN;WGOQZUFWIIBOHO-UHFFFAOYSA-N;144.22;-0.23;;;;;DOPC;MDCG;27;1;"MARTINI bead: P4_Nd";;;;;;;-1.19;;-7.53;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM403177;MM403177;CC(C#N)=CN1C(C)C1C;JWPICLHMUDWTHS-UHFFFAOYSA-N;136.2;1.51;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP1_N0";;;;;;;0.34;;-1.53;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM403178;MM403178;CNN(C=N)CCCCO;PLLPRMMPISHPCO-UHFFFAOYSA-N;145.21;-0.2;;;;;DOPC;MDCG;27;1;"MARTINI bead: P4_Nda";;;;;;;-1.19;;-7.29;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM403179;MM403179;C=CC(C)=NN1C(C)C1C;ZGMBDODMXLDDHU-UHFFFAOYSA-N;138.21;1.64;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP1_N0";;;;;;;0.34;;-1.53;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM403180;MM403180;CCCCCN(C=O)NC;ONBHWMWRVIGJOR-UHFFFAOYSA-N;144.22;0.77;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1_P3";;;;;;;0.94;;0.03;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM403181;MM403181;CC(C=O)=NN1C(C)C1C;QVAZDSYSCSHYMJ-UHFFFAOYSA-N;140.19;0.65;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP1_P2";;;;;;;-1.06;;-3.82;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM403182;MM403182;CNN(C=O)CCCCN;LGPVWEPDTRFWPN-UHFFFAOYSA-N;145.21;-0.68;;;;;DOPC;MDCG;27;1;"MARTINI bead: P3_Nd";;;;;;;-1.1;;-6.4;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM403183;MM403183;C#CC(C)=CC1C(C)C1C;HANSJIBUZQJPOO-UHFFFAOYSA-N;134.22;2.47;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC5_C5";;;;;;;2.41;;0.64;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM403184;MM403184;C#CC1CC(C)(C)C1O;OFECUKFDBIPWSV-UHFFFAOYSA-N;124.18;1.03;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC3_SNda";;;;;;;2.57;;0.44;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM403185;MM403185;C#CC(C)=CC1C(C)C1N;XMWGSARVSOXSPD-UHFFFAOYSA-N;135.21;1.16;;;;;DOPC;MDCG;27;1;"MARTINI bead: SNd_C5";;;;;;;1.64;;-2.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM403186;MM403186;CNCCCN(C=N)NC;YGPUBMSYAFRQBO-UHFFFAOYSA-N;144.22;-0.36;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_P4";;;;;;;-1.19;;-7.42;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM403187;MM403187;C#CC(C)=NN1C(C)C1C;OSUHNUUHFQNRNY-UHFFFAOYSA-N;136.2;1.09;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP1_P1";;;;;;;-0.79;;-3.13;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM403188;MM403188;CNCCCN(C=O)NC;ODHQOOZRHOHWOR-UHFFFAOYSA-N;145.21;-0.81;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_P3";;;;;;;-1.1;;-6.75;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM403189;MM403189;CC1CC(CN)C(C)C1O;IKTOQCPBCZTMCE-UHFFFAOYSA-N;143.23;0.6;;;;;DOPC;MDCG;27;1;"MARTINI bead: SC5_SC5";;;;;;;2.41;;-0.22;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM403190;MM403190;CNN(C=N)CCCOC;WLHGGRXKSAIYLY-UHFFFAOYSA-N;145.21;0.07;;;;;DOPC;MDCG;27;1;"MARTINI bead: P4_Na";;;;;;;-1.19;;-7.16;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM403191;MM403191;C=CC1CC(C)C(N)C1C;RQTFZYPMRZSMCK-UHFFFAOYSA-N;139.24;1.79;;;;;DOPC;MDCG;27;1;"MARTINI bead: SC2_SNd";;;;;;;2.83;;-1.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM403192;MM403192;CNN(C=O)CCCOC;HMWACVXDKDZLTG-UHFFFAOYSA-N;146.19;-0.38;;;;;DOPC;MDCG;27;0;"MARTINI bead: P3_Na";;;;;;;-1.1;;-4.2;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM403193;MM403193;C=CC1CC(C)C(F)C1C;QKBVERAKLDKTFR-UHFFFAOYSA-N;142.22;2.8;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC2_SC4";;;;;;;4.16;;0.44;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM403194;MM403194;CCNCCN(C=N)NC;IPVYVCZDIHJYPA-UHFFFAOYSA-N;144.22;-0.36;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_P4";;;;;;;-1.19;;-7.11;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM403195;MM403195;C=CC1CC(O)C(C)C1N;UNLBTEQSVCBOGU-UHFFFAOYSA-N;141.21;0.52;;;;;DOPC;MDCG;27;1;"MARTINI bead: SNda_SNd";;;;;;;0.87;;-4.64;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM403196;MM403196;CCNCCN(C=O)NC;CJRJYJDZLJACHL-UHFFFAOYSA-N;145.21;-0.81;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_P3";;;;;;;-1.1;;-5.79;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM403197;MM403197;C=CC1CN(C)C(C)C1C;ZJOMNNQUWNPXOP-UHFFFAOYSA-N;139.24;1.76;;;;;DOPC;MDCG;27;1;"MARTINI bead: SNd_SN0";;;;;;;1.17;;-4.25;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM403198;MM403198;CCOCCN(C=O)NC;RKTZSRLSBOFPBW-UHFFFAOYSA-N;146.19;-0.38;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_P4";;;;;;;-0.41;;-2.78;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM403199;MM403199;CC1C(N)C(N)CN1C=N;QJPKEFCRFMVYAI-UHFFFAOYSA-N;142.21;-1.05;;;;;DOPC;MDCG;27;1;"MARTINI bead: SP3_SNd";;;;;;;-1.1;;-7.11;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM403200;MM403200;CON(C=N)CCCCF;KSPFJCRJGKUMEY-UHFFFAOYSA-N;148.18;1.21;;;;;DOPC;MDCG;27;1;"MARTINI bead: P3_C4";;;;;;;0.23;;-2.14;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM403201;MM403201;C=NN1CC(C)C(N)C1C;JGZJYQJIECLISU-UHFFFAOYSA-N;141.22;0.27;;;;;DOPC;MDCG;27;1;"MARTINI bead: SN0_SP2";;;;;;;0.06;;-4.14;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM403202;MM403202;CCCCCN(C=O)OC;LCGXLWFAJOOWBM-UHFFFAOYSA-N;145.2;1.2;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1_P2";;;;;;;1.8;;0.4;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM403203;MM403203;C#CC1CC(N)C(C)C1N;URBPPBIDUPFYHL-UHFFFAOYSA-N;138.21;-0.07;;;;;DOPC;MDCG;27;1;"MARTINI bead: SNd_SNd";;;;;;;0.87;;-5.02;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM403204;MM403204;CNCCCN(C=O)OC;OQTHUUJWRPRDEE-UHFFFAOYSA-N;146.19;-0.38;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_P2";;;;;;;-0.24;;-6;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM403205;MM403205;C#CC1NC(C)C(N)C1C;GPBCOLRVNPEWLD-UHFFFAOYSA-N;138.21;-0.06;;;;;DOPC;MDCG;27;1;"MARTINI bead: SNd_SP1";;;;;;;0.04;;-5.3;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM403206;MM403206;COCCCN(C=N)OC;ORNLOZUGPXLANX-UHFFFAOYSA-N;146.19;0.49;;;;;DOPC;MDCG;27;1;"MARTINI bead: Na_P2";;;;;;;-0.24;;-4.31;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM403207;MM403207;C=C1C(C)CC(CC)C1C;ZHADRDGFYLXKEG-UHFFFAOYSA-N;138.25;3.24;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC1_SC2";;;;;;;4.87;;0.53;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM403208;MM403208;COCCCN(C=O)OC;MZTSHCGYTVRLLI-UHFFFAOYSA-N;147.17;0.04;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_P2";;;;;;;-0.24;;-3.24;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM403209;MM403209;C=C1C(C)CC(CN)C1C;YXPVUJHHGOQWRB-UHFFFAOYSA-N;139.24;1.79;;;;;DOPC;MDCG;27;1;"MARTINI bead: SC5_SC2";;;;;;;3.6;;0.55;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM403210;MM403210;CCNCCN(C=O)OC;BCHASZNZHMDOOQ-UHFFFAOYSA-N;146.19;-0.38;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_P2";;;;;;;-0.24;;-5.16;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM403211;MM403211;CCC1CC(C)C(=O)C1C;ZLECDPLNIFIGKF-UHFFFAOYSA-N;140.23;2.26;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC1_SC5";;;;;;;3.68;;0.46;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM403212;MM403212;CCN(C=N)NCCCF;MBXOIPSNUMWRHQ-UHFFFAOYSA-N;147.2;0.78;;;;;DOPC;MDCG;27;1;"MARTINI bead: P3_C5";;;;;;;-0.33;;-4.59;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM403213;MM403213;COC1CC(C)C(=O)C1C;ZMOGKWDWKPLJON-UHFFFAOYSA-N;142.2;1.25;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC5_SC5";;;;;;;2.41;;0.64;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM403214;MM403214;CCCCON(C=N)CC;BDEZRPHHQZWMBY-UHFFFAOYSA-N;144.22;1.65;;;;;DOPC;MDCG;27;1;"MARTINI bead: C1_P2";;;;;;;1.8;;-0.13;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM403215;MM403215;CCC1CN(C)C(=O)N1N;ORPVUKSRKITXFA-UHFFFAOYSA-N;143.19;0.01;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP1_SP2";;;;;;;-1.06;;-3.82;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM403216;MM403216;CCN(C=N)OCCCO;UIXAEKUMBOMISZ-UHFFFAOYSA-N;146.19;0.23;;;;;DOPC;MDCG;27;1;"MARTINI bead: P2_Nda";;;;;;;-0.24;;-4.47;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM403217;MM403217;C=CC1CC(C)C(=C)C1C;HXZVTKFIDKVGSY-UHFFFAOYSA-N;136.24;3.02;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC2_SC2";;;;;;;4.78;;0.59;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM403218;MM403218;CCCCON(C=O)CC;RBVUIENPVLVNER-UHFFFAOYSA-N;145.2;1.2;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1_P2";;;;;;;1.8;;0.4;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM403219;MM403219;C=C1C(C)CC(C#N)C1C;KYYQLTZKCSPTKS-UHFFFAOYSA-N;135.21;2.36;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC5_SC2";;;;;;;3.6;;0.34;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM403220;MM403220;CCN(C=O)OCCCO;NXKSBNPXRPBSSX-UHFFFAOYSA-N;147.17;-0.22;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_Nda";;;;;;;-0.24;;-3.31;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM403221;MM403221;C=CC1CC(C)C(=O)C1C;CJRLIVZOWRPSKT-UHFFFAOYSA-N;138.21;2.03;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC2_SC5";;;;;;;3.6;;0.34;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM403222;MM403222;CCN(C=O)OCCNC;JVAYNTWQVZIIBZ-UHFFFAOYSA-N;146.19;-0.38;;;;;DOPC;MDCG;27;1;"MARTINI bead: P2_Nd";;;;;;;-0.24;;-5.13;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM403223;MM403223;C=C1C(C)CN(C=N)C1C;BZURGPMOOWVSIF-UHFFFAOYSA-N;138.21;1.49;;;;;DOPC;MDCG;27;1;"MARTINI bead: SNd_SP1";;;;;;;0.04;;-5.97;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM403224;MM403224;CCOCON(C=O)CC;IBPGLHWZQGCHPB-UHFFFAOYSA-N;147.17;0.39;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_C5";;;;;;;0.54;;-1.09;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM403225;MM403225;C=C1C(N)CN(C=N)C1C;SXRIBGNXNGPOEO-UHFFFAOYSA-N;139.2;0.18;;;;;DOPC;MDCG;27;1;"MARTINI bead: SNd_SP2";;;;;;;-0.24;;-6.15;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM403226;MM403226;C=CCCCC(C=C)CC;TUSPCDABHCXMIH-UHFFFAOYSA-N;138.25;3.55;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1_C1";;;;;;;4.95;;0.69;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM403227;MM403227;C=C1C(O)CN(C=N)C1C;IYLHKNWUIMUCLA-UHFFFAOYSA-N;140.19;0.21;;;;;DOPC;MDCG;27;1;"MARTINI bead: SNd_SP2";;;;;;;-0.24;;-5.88;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM403228;MM403228;C=CC(CC)CCCC=O;JHEZLQQROXTFDS-UHFFFAOYSA-N;140.23;2.57;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1_C5";;;;;;;3.68;;0.46;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM403229;MM403229;C=C1C(O)CN(C=O)C1C;VUUKGULPGBZBTF-UHFFFAOYSA-N;141.17;-0.24;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNda_SP2";;;;;;;-0.24;;-3.31;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM403230;MM403230;C=CC(CC)CCCC#N;LEYXPAVVZDBOCR-UHFFFAOYSA-N;137.23;2.89;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1_N0";;;;;;;3.21;;0.46;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM403231;MM403231;CC1CN(C=N)C(C)C1=O;UAFUDFNJKZRIKP-UHFFFAOYSA-N;140.19;0.5;;;;;DOPC;MDCG;27;1;"MARTINI bead: SNd_SP2";;;;;;;-0.24;;-5.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM403232;MM403232;C=CCCCC(C=O)CC;KJVLUUVHBIDHPH-UHFFFAOYSA-N;140.23;2.57;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_C1";;;;;;;3.68;;0.46;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM403233;MM403233;C#CCCC(C)C(C)O;DOPIVMQYVUQPSZ-UHFFFAOYSA-N;126.2;1.42;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_C1";;;;;;;2.08;;0.48;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM403234;MM403234;C=CCCCC(C#N)CC;CVBPXJMDHPVKES-UHFFFAOYSA-N;137.23;2.89;;;;;DOPC;MDCG;27;0;"MARTINI bead: N0_C1";;;;;;;3.21;;0.46;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM403235;MM403235;C=NN1CC(C)C(=C)C1C;JQBNBPRMAIQNEA-UHFFFAOYSA-N;138.21;1.5;;;;;DOPC;MDCG;27;0;"MARTINI bead: SN0_SP1";;;;;;;0.34;;-1.53;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM403236;MM403236;CCC(C=O)CCCC=O;GXXVAMCEAMPWGZ-UHFFFAOYSA-N;142.2;1.58;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_C5";;;;;;;2.41;;0.64;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM403237;MM403237;C=NN1CC(N)C(=C)C1C;ZQQNQFQSSVGVGR-UHFFFAOYSA-N;139.2;0.19;;;;;DOPC;MDCG;27;1;"MARTINI bead: SN0_SP2";;;;;;;0.06;;-3.49;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM403238;MM403238;CCC(C=O)CCCC#N;SZABAXRDDALYLO-UHFFFAOYSA-N;139.2;1.91;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_N0";;;;;;;1.94;;0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM403239;MM403239;C#CCCCC(O)CC;YKEGXTYKHQOOIB-UHFFFAOYSA-N;126.2;1.56;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda_C3";;;;;;;2.57;;0.44;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM403240;MM403240;CCC(C#N)CCCC#N;ZBALGRBABUDPRS-UHFFFAOYSA-N;136.2;2.23;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_P1";;;;;;;0.81;;-0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM403241;MM403241;C#CC1NC(C)C(=C)C1C;BGOCNLNFDDLNSN-UHFFFAOYSA-N;135.21;1.17;;;;;DOPC;MDCG;27;1;"MARTINI bead: SNd_SN0";;;;;;;1.17;;-3.18;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM403242;MM403242;C=CCCCC(C=C)CN;VDQVOJSXCIXCOA-UHFFFAOYSA-N;139.24;2.1;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_C1";;;;;;;2.91;;-0.53;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM403243;MM403243;C#CC1NC(C)C(=C)C1N;FSGPTUGAXKGGEJ-UHFFFAOYSA-N;136.2;-0.14;;;;;DOPC;MDCG;27;1;"MARTINI bead: SNd_SP2";;;;;;;-0.24;;-4.86;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM403244;MM403244;CCC1(C)NC(C)C1=O;DBRCSSSPLANYMH-UHFFFAOYSA-N;127.19;0.72;;;;;DOPC;MDCG;27;0;"MARTINI bead: SN0_SP2";;;;;;;0.06;;-2.21;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM403245;MM403245;C=C1CC(CO)C(N)C1=C;QWJSALNAEVVQQS-UHFFFAOYSA-N;139.2;0.44;;;;;DOPC;MDCG;27;1;"MARTINI bead: SC5_SNd";;;;;;;1.64;;-2.02;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM403246;MM403246;CC1(CC2(O)CC2)CC1;VYDHBADRAWSNFE-UHFFFAOYSA-N;126.2;1.7;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC5_SNda";;;;;;;1.64;;0.05;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM403247;MM403247;C=C1CC(CN)C(O)C1=C;NAIKGCPQIGMMSR-UHFFFAOYSA-N;139.2;0.44;;;;;DOPC;MDCG;27;1;"MARTINI bead: SC5_SNda";;;;;;;1.64;;-2.29;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM403248;MM403248;C=CCCCC(C#N)CO;RHFUQRXZXLVXQU-UHFFFAOYSA-N;139.2;1.47;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_C1";;;;;;;1.8;;0.4;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM403249;MM403249;C=C1CC(CO)C(O)C1=C;CKBGWOKWKSDWPM-UHFFFAOYSA-N;140.18;0.47;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC5_SNda";;;;;;;1.64;;0.05;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM403250;MM403250;O=CCCCC(C=O)CO;YUPJKRIDLLARJZ-UHFFFAOYSA-N;144.17;0.16;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_C5";;;;;;;0.54;;-1.09;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM403251;MM403251;CCn1oc(=O)c(=N)n1C;DAXXYAMJTGFJKK-UHFFFAOYSA-N;143.15;-0.72;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP1_SP2";;;;;;;-1.06;;-3.82;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM403252;MM403252;C=CCCCC(C=C)CF;VSQGDHUYWVHEDT-UHFFFAOYSA-N;142.22;3.11;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_C1";;;;;;;3.68;;0.46;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM403253;MM403253;CCn1oc(=O)c(=O)n1C;QCIQUEHAZRJPIC-UHFFFAOYSA-N;144.13;-0.84;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP1_SP2";;;;;;;-1.06;;-3.82;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM403254;MM403254;C=CC(CF)CCCC=O;PKMCAWMCKNXHPT-UHFFFAOYSA-N;144.19;2.13;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_C5";;;;;;;2.41;;0.64;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM403255;MM403255;CCn1oc(=O)c(=N)n1N;WLIDNXDERVZVHQ-UHFFFAOYSA-N;144.13;-1.54;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP1_SP2";;;;;;;-1.06;;-3.82;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM403256;MM403256;C=CCCCC(C=O)CF;FJAGIHIOSBXUCR-UHFFFAOYSA-N;144.19;2.13;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_C3";;;;;;;2.57;;0.45;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM403257;MM403257;CCn1oc(=O)c(=O)n1N;HYLCTPYPXBHENY-UHFFFAOYSA-N;145.12;-1.66;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP1_SP2";;;;;;;-1.06;;-3.82;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM403258;MM403258;C=CCCCC(C#N)CF;ADCGWFPMBOLWDR-UHFFFAOYSA-N;141.19;2.45;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_C1";;;;;;;2.91;;0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM403259;MM403259;CC#CC(C=O)=NNC;WKZJIBSZFNCUQX-UHFFFAOYSA-N;124.14;-0.22;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_N0";;;;;;;0.34;;-1.53;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM403260;MM403260;O=CCCCC(C=O)CF;YXYQBJMHAGCXGN-UHFFFAOYSA-N;146.16;1.14;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_Na";;;;;;;0.87;;-2.22;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM403261;MM403261;O=CC(=O)OCC(=O)O;DPDZAVNACDPEJC-UHFFFAOYSA-N;132.07;-1.19;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_P1";;;;;;;-0.79;;-7.47;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM403262;MM403262;N#CC(CF)CCCC=O;WFEXONRZMJNNNP-UHFFFAOYSA-N;143.16;1.46;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_Na";;;;;;;0.87;;-2.22;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM403263;MM403263;C=CC1CC(=C)C(=C)C1C;VRPWTMDHELMCOK-UHFFFAOYSA-N;134.22;2.94;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC2_SC3";;;;;;;4.53;;0.32;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM403264;MM403264;C=CC(CC)CCNC=N;OROHHGJJVHJRHL-UHFFFAOYSA-N;140.23;1.79;;;;;DOPC;MDCG;27;1;"MARTINI bead: C1_P3";;;;;;;0.94;;-3.89;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM403265;MM403265;C=CC(CN)CCNC=N;BVCBUYFRTWAVOM-UHFFFAOYSA-N;141.22;0.33;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_P2";;;;;;;-0.24;;-7.56;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM403266;MM403266;CC1=C(C)C(=O)C(=N)N1;RXNWKPQMBBQYPA-UHFFFAOYSA-N;124.14;0.43;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNd_SP2";;;;;;;-0.24;;-3.16;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM403267;MM403267;N#CC(CO)CCNC=N;XFSQMUFWOFOVOX-UHFFFAOYSA-N;141.17;-0.29;;;;;DOPC;MDCG;27;1;"MARTINI bead: P2_P2";;;;;;;-1.34;;-8.66;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM403268;MM403268;N=c1[nH]c(=O)nc(O)o1;DPCOMXCPOLRYJD-UHFFFAOYSA-N;129.08;-1.45;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP3_SP3";;;;;;;-3.07;;-10.04;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM403269;MM403269;O=CNCCC(C=O)CO;WPDVOZONUMOBTJ-UHFFFAOYSA-N;145.16;-1.07;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_P1";;;;;;;-1.06;;-3.82;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM403270;MM403270;COC(C)=CC(=O)C(=O)O;DKDHAXWFLINSPA-UHFFFAOYSA-N;144.13;0.19;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_P2";;;;;;;0.54;;-5.34;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM403271;MM403271;N#CC(CO)CCNC=O;GFKXXBOVIOXICT-UHFFFAOYSA-N;142.16;-0.75;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_P1";;;;;;;-1.06;;-3.82;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM403272;MM403272;C=Cn1oc(=O)c(=N)n1C;LZCQYMKJVDCOPL-UHFFFAOYSA-N;141.13;-0.64;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP2_SP2";;;;;;;-1.34;;-4.31;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM403273;MM403273;C=CC(CC)CCNN=C;ZOYRJVCTEUJRHO-UHFFFAOYSA-N;140.23;1.79;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1_P2";;;;;;;1.8;;0.41;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM403274;MM403274;Cn1c(=N)c(=O)on1C=N;OKDGBCKVPWWOST-UHFFFAOYSA-N;142.12;-1.29;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP2_SP2";;;;;;;-1.34;;-4.31;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM403275;MM403275;C=CC=NNCC(C)=O;PYFAXOOLTBAROY-UHFFFAOYSA-N;126.16;0.34;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_Nd";;;;;;;0.87;;-1.88;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM403276;MM403276;Cn1c(=N)c(=O)on1C=O;FKTPLJLRJQGPLR-UHFFFAOYSA-N;143.1;-1.7;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP2_SP2";;;;;;;-1.34;;-4.31;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM403277;MM403277;CNN=CC(=O)C=CN;FVFCODJBGGNWSH-UHFFFAOYSA-N;127.15;-0.77;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_P1";;;;;;;-0.79;;-3.13;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM403278;MM403278;C=Cn1oc(=O)c(=O)n1C;NIPPIZRLGDUUBV-UHFFFAOYSA-N;142.11;-0.76;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP2_SP2";;;;;;;-1.34;;-4.31;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM403279;MM403279;C=CC(CF)CCNN=C;MXLMTVIYUQQGSA-UHFFFAOYSA-N;144.19;1.35;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4_P2";;;;;;;1.09;;-0.38;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM403280;MM403280;Cn1c(=O)c(=O)on1C=N;NGXZIDYPFYADDI-UHFFFAOYSA-N;143.1;-1.4;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP2_SP2";;;;;;;-1.34;;-4.31;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM403281;MM403281;C=COCCC(C=C)CC;GUQFRDDCPRIUDP-UHFFFAOYSA-N;140.23;2.75;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1_Na";;;;;;;2.91;;0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM403282;MM403282;Cn1c(=O)c(=O)on1C=O;HHPCLKCPEXKWDO-UHFFFAOYSA-N;144.09;-1.82;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP2_SP2";;;;;;;-1.34;;-4.31;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM403283;MM403283;C=CC(CC)CCOC=O;KWXDRORDSZZQFW-UHFFFAOYSA-N;142.2;1.76;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1_Na";;;;;;;2.91;;0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM403284;MM403284;C=Cn1oc(=O)c(=N)n1N;OWECYYIXYDJTQN-UHFFFAOYSA-N;142.12;-1.46;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP2_SP2";;;;;;;-1.34;;-4.31;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM403285;MM403285;C=COCCC(C=O)CC;MARCAELDALFKCS-UHFFFAOYSA-N;142.2;1.76;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_Na";;;;;;;1.64;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM403286;MM403286;N=Cn1oc(=O)c(=N)n1N;IDTRZGIAKBMCAO-UHFFFAOYSA-N;143.11;-2.11;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP3_SP2";;;;;;;-2.2;;-5.19;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM403287;MM403287;C=COCCC(C=C)CN;CJZGFMVKKJKLHV-UHFFFAOYSA-N;141.21;1.3;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_Na";;;;;;;0.87;;-4.65;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM403288;MM403288;N=c1c(=O)on(C=O)n1N;OEGBAHPHTXHYFE-UHFFFAOYSA-N;144.09;-2.53;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP3_SP2";;;;;;;-2.2;;-5.19;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM403289;MM403289;C=COCCC(C=C)CO;RQRTYCFEJYUHEL-UHFFFAOYSA-N;142.2;1.33;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda_Na";;;;;;;0.87;;-1.99;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM403290;MM403290;C=Cn1oc(=O)c(=O)n1N;FUVDSHJNPHPWJJ-UHFFFAOYSA-N;143.1;-1.58;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP2_SP2";;;;;;;-1.34;;-4.31;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM403291;MM403291;O=COCCC(C=O)CO;JPKHPLPSYIZLIX-UHFFFAOYSA-N;146.14;-0.64;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_P1";;;;;;;-1.06;;-3.82;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM403292;MM403292;N=Cn1oc(=O)c(=O)n1N;FBODQAVGZXVRFC-UHFFFAOYSA-N;144.09;-2.23;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP3_SP2";;;;;;;-2.2;;-5.19;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM403293;MM403293;C=COCCC(C=C)CF;CMDYVVZGVWWILR-UHFFFAOYSA-N;144.19;2.31;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4_Na";;;;;;;2.2;;0.34;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM403294;MM403294;Nn1c(=O)c(=O)on1C=O;HUUVKMVXOUUMOK-UHFFFAOYSA-N;145.07;-2.64;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP3_SP2";;;;;;;-2.2;;-5.19;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM403295;MM403295;C=CC(CF)CCOC=O;ZPKKFGNOEXHJCD-UHFFFAOYSA-N;146.16;1.32;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4_P1";;;;;;;1.37;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM403296;MM403296;CCC1=CC(=O)C(=N)N1;LQVRDXMSYGRUSG-UHFFFAOYSA-N;124.14;0.43;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC5_SP2";;;;;;;0.54;;-1.09;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM403297;MM403297;C=COCCC(C=O)CF;IRNZZBUZYIDTAA-UHFFFAOYSA-N;146.16;1.32;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_Na";;;;;;;0.87;;-2.22;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM403298;MM403298;Cc1oc(C=O)nc1N;WDNSZQGXGRRTKK-UHFFFAOYSA-N;126.12;0.38;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNd_SP1";;;;;;;0.04;;-2.63;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM403299;MM403299;C=COCCC(C#N)CF;BLPFPWSLDVXLLA-UHFFFAOYSA-N;143.16;1.65;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_C5";;;;;;;1.64;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM403300;MM403300;C=C(C)C(O)CC1CC1;PQEDQZCGMUQRJN-UHFFFAOYSA-N;126.2;1.72;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda_SC5";;;;;;;1.64;;0.05;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM403301;MM403301;C=CC(CC)CCON=C;TZLGIMAKONYKQZ-UHFFFAOYSA-N;141.21;2.22;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1_P1";;;;;;;2.08;;0.48;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM403302;MM403302;C=C(C)C(O)C(=O)C(=O)O;HLRYXGDNAMICFC-UHFFFAOYSA-N;144.13;-0.42;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda_P2";;;;;;;-0.24;;-7.57;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM403303;MM403303;C=NOCCC(C#N)CC;XJZGBRGMQDXEHD-UHFFFAOYSA-N;140.19;1.56;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_P1";;;;;;;0.81;;-0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM403304;MM403304;CNC(=CC(N)=O)C(=O)O;XNXYFLJTTXSZIM-UHFFFAOYSA-N;144.13;-1.34;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda_P3";;;;;;;-1.1;;-8.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM403305;MM403305;C=C(C)C1(O)CC1CC;VMKCUHGBYVTDHW-UHFFFAOYSA-N;126.2;1.72;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_SNda";;;;;;;1.64;;0.05;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM403306;MM403306;CC#CC1=NC(=CO)C=N1;IYKPDLJTMRHSCO-UHFFFAOYSA-N;134.14;0.89;;;;;DOPC;MDCG;27;0;"MARTINI bead: SN0_SNda";;;;;;;1.17;;-5.47;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM403307;MM403307;CNN=COC(C)=NN;LCSQPEHAOBQYKU-UHFFFAOYSA-N;130.15;-0.54;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_Nd";;;;;;;-0.24;;-3.16;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM403308;MM403308;C=C1CC(CC)C(=C)C1N;NEZDVQXNNOEXHP-UHFFFAOYSA-N;137.23;1.86;;;;;DOPC;MDCG;27;1;"MARTINI bead: SC1_SNd";;;;;;;2.91;;0.12;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM403309;MM403309;C=CC(CF)CCON=C;SCWRAXLTQPGHMF-UHFFFAOYSA-N;145.18;1.78;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4_P1";;;;;;;1.37;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM403310;MM403310;C=C1CC(NC)C(=C)C1O;SWUPMBNIFGQXHI-UHFFFAOYSA-N;139.2;0.45;;;;;DOPC;MDCG;27;1;"MARTINI bead: SNd_SNda";;;;;;;0.87;;-3.85;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM403311;MM403311;C=CCCCC(C=C)NC;NUYPTFDJVLHYPF-UHFFFAOYSA-N;139.24;2.12;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_C1";;;;;;;2.91;;-0.32;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM403312;MM403312;CCn1[nH]c(=O)n(C)c1=N;DQMNNRNTXWUZIG-UHFFFAOYSA-N;142.16;-0.99;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP1_SP3";;;;;;;-1.93;;-4.72;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM403313;MM403313;C=CC(CCCC=O)NC;MXPXVUUFMSTCQA-UHFFFAOYSA-N;141.21;1.13;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_Na";;;;;;;0.87;;-4.32;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM403314;MM403314;CCn1[nH]c(=O)n(N)c1=N;DMGOYLVNRCCDSD-UHFFFAOYSA-N;143.15;-1.81;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP1_SP3";;;;;;;-1.93;;-4.72;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM403315;MM403315;C=CC(CCCC#N)NC;ZUKNJNCFIVUOIY-UHFFFAOYSA-N;138.21;1.45;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_N0";;;;;;;1.17;;-3.57;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM403316;MM403316;CCn1[nH]c(=O)n(C)c1=O;JAMQIJOIDLXAJO-UHFFFAOYSA-N;143.15;-1.11;;;;;DOPC;MDCG;27;-1;"MARTINI bead: SP1_SP2";;;;;;;-1.06;;-5.99;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM403317;MM403317;C=CCCCC(C=O)NC;USYLSYWHVHTDIE-UHFFFAOYSA-N;141.21;1.13;;;;;DOPC;MDCG;27;1;"MARTINI bead: P2_C3";;;;;;;1.46;;-1.31;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM403318;MM403318;N=C(C(=O)O)N1CC1;BWEAUCFFVJHMFA-UHFFFAOYSA-N;114.1;-0.64;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_SP2";;;;;;;-1.06;;-8.09;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM403319;MM403319;C=CCCCC(C#N)NC;OOAPDJVTIDYCHP-UHFFFAOYSA-N;138.21;1.45;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_C1";;;;;;;1.8;;0.42;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM403320;MM403320;C=CC1(CC)NC1C(=O)O;ULWQDVQRBYMUJZ-UHFFFAOYSA-N;141.17;0.38;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNd_P1";;;;;;;0.04;;-6.96;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM403321;MM403321;CNC(C#N)CCCC#N;YQKVXSQUTITGPU-UHFFFAOYSA-N;137.19;0.79;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_P1";;;;;;;-0.79;;-3.13;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM403322;MM403322;NCC(F)(F)C(=NO)NO;MPLLCNOZWWSOGZ-UHFFFAOYSA-N;155.1;-0.65;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_Nda";;;;;;;-0.24;;-7.57;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM403323;MM403323;C=CC(CCNC=O)NC;BCCNWJPDWGOQHG-UHFFFAOYSA-N;142.2;-0.1;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_P3";;;;;;;-1.1;;-6.18;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM403324;MM403324;COC=C(C)C(=O)C(=O)O;ZRYRHGQDWPIMQS-UHFFFAOYSA-N;144.13;0.19;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_P2";;;;;;;0.54;;-5.35;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM403325;MM403325;CNC(C=O)CCN=CN;GHVXBIUUSVWQGO-UHFFFAOYSA-N;143.19;-0.85;;;;;DOPC;MDCG;27;1;"MARTINI bead: P2_P2";;;;;;;-1.34;;-7.89;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM403326;MM403326;COC(OC=CF)C(=O)O;CVZLUBCNFFNYEM-UHFFFAOYSA-N;150.11;0.5;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_C5";;;;;;;0.54;;-5.35;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM403327;MM403327;CCON=CC(F)CF;OEPSSDJQIMXHOJ-UHFFFAOYSA-N;137.13;1.32;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_Na";;;;;;;0.87;;-2.22;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM403328;MM403328;C=CC(C)(O)C(=O)C(=O)O;FAGDAIBDAFOFJG-UHFFFAOYSA-N;144.13;-0.42;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda_P2";;;;;;;-0.24;;-7.58;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM403329;MM403329;C=COCCC(C=C)NC;NGZVLGZMLRKYPY-UHFFFAOYSA-N;141.21;1.31;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_Na";;;;;;;0.87;;-4.19;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM403330;MM403330;C#Cc1onc(F)c1O;PMASSTMPQTYFJL-UHFFFAOYSA-N;127.07;0.5;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNda_SN0";;;;;;;1.17;;-5.48;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM403331;MM403331;C=COCCC(C#N)NC;DDVPEJWMLSIPNP-UHFFFAOYSA-N;140.19;0.65;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_C5";;;;;;;0.54;;-1.09;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM403332;MM403332;C=C(C(=O)C(=O)O)C(C)O;ZEJHMUGNZREBDU-UHFFFAOYSA-N;144.13;-0.42;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda_P2";;;;;;;-0.24;;-7.58;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM403333;MM403333;C=CC(CCON=C)NC;FGHYHPAZNNIFJA-UHFFFAOYSA-N;142.2;0.78;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_Na";;;;;;;0.87;;-4.19;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM403334;MM403334;CC=C(CO)C(=O)C(=O)O;BNBQQVQNHCOFPW-UHFFFAOYSA-N;144.13;-0.42;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda_P2";;;;;;;-0.24;;-7.58;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM403335;MM403335;C=CCCCC(C=C)OC;XURMIWYINDMTRH-UHFFFAOYSA-N;140.23;2.54;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_C1";;;;;;;2.91;;0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM403336;MM403336;NC(=NOCC=O)C(=O)O;HHHUITJRKDFFKJ-UHFFFAOYSA-N;146.1;-1.44;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_P1";;;;;;;-1.06;;-8.1;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM403337;MM403337;C=CC(CCCC=O)OC;XINVVKJMADJRTC-UHFFFAOYSA-N;142.2;1.56;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_Na";;;;;;;1.64;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM403338;MM403338;Nc1oc(=NO)[nH]c1F;VQXMANUPVKNKKW-UHFFFAOYSA-N;133.08;-0.38;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP2_SNda";;;;;;;-0.24;;-7.58;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM403339;MM403339;C=CC(CCCC#N)OC;DEDGYZYDNSAUOF-UHFFFAOYSA-N;139.2;1.88;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_N0";;;;;;;1.17;;-1.18;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM403340;MM403340;OC=C1C=NC(CF)=N1;VDZXNBCKZIAJSD-UHFFFAOYSA-N;128.11;0.84;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNda_SP1";;;;;;;0.04;;-7.05;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM403341;MM403341;C=CCCCC(C=O)OC;NXCNQOUCRYZIJS-UHFFFAOYSA-N;142.2;1.56;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_C1";;;;;;;2.08;;0.48;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM403342;MM403342;CCn1oc(=O)n(C)c1=N;YZRLZFOQQYTGBI-UHFFFAOYSA-N;143.15;-0.72;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP2_SP2";;;;;;;-1.34;;-4.31;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM403343;MM403343;C=CCCCC(C#N)OC;PPRNCZDYWINDDF-UHFFFAOYSA-N;139.2;1.88;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_C3";;;;;;;2.57;;0.45;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM403344;MM403344;CCn1oc(=O)n(N)c1=N;BXZVRFBKKUUQHD-UHFFFAOYSA-N;144.13;-1.54;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP2_SP3";;;;;;;-2.2;;-5.19;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM403345;MM403345;COC(C=O)CCCC=O;YMXSLFQSHMFZLE-UHFFFAOYSA-N;144.17;0.57;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_C5";;;;;;;0.81;;-0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM403346;MM403346;CCC1C(C)C1C(C)O;NEVOKGXVROAEJS-UHFFFAOYSA-N;128.22;1.66;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC3_P1";;;;;;;1.74;;0.29;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM403347;MM403347;CNN=c1onc(C)o1;YOHWNPMHCBEQIP-UHFFFAOYSA-N;129.12;-0.39;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_SP2";;;;;;;-1.34;;-4.31;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM403348;MM403348;C=NN(C=O)C(=N)C(=O)O;QAGUFHKOPTYCIZ-UHFFFAOYSA-N;143.1;-0.88;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_P2";;;;;;;-1.06;;-8.1;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM403349;MM403349;CC(C)(C)CCC(C)(C)O;ASOCSFZHADJKFU-UHFFFAOYSA-N;144.26;2.58;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1_Nda";;;;;;;2.91;;0.57;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM403350;MM403350;CCn1oc(=N)n(C)c1=O;ZFCOUMXHOCFBCV-UHFFFAOYSA-N;143.15;-0.72;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP2_SP3";;;;;;;-2.2;;-5.19;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM403351;MM403351;C=CC(CCNN=C)OC;DZNNLSNXWIFVNK-UHFFFAOYSA-N;142.2;0.78;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_P2";;;;;;;0.54;;-1.09;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM403352;MM403352;CCn1oc(=O)n(C)c1=O;RRSWQIKXEQHNNZ-UHFFFAOYSA-N;144.13;-0.84;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP2_SP2";;;;;;;-1.34;;-4.31;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM403353;MM403353;CCC(C)=CCC(C)(C)O;ZAUOXXUMDZTGNL-UHFFFAOYSA-N;142.24;2.5;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1_Nda";;;;;;;2.91;;0.57;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM403354;MM403354;CCn1oc(=N)n(N)c1=O;IHDVTHYJLTZFRY-UHFFFAOYSA-N;144.13;-1.54;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP2_SP3";;;;;;;-2.2;;-5.19;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM403355;MM403355;CC(=CCC(C)(C)O)CF;QDIVURPCCJRQSF-UHFFFAOYSA-N;146.21;2.06;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4_Nda";;;;;;;2.2;;0.49;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM403356;MM403356;CCn1oc(=O)n(N)c1=O;HWFYODNAOUGBFN-UHFFFAOYSA-N;145.12;-1.66;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP2_SP3";;;;;;;-2.2;;-5.19;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM403357;MM403357;C=CC(CCOC=O)OC;WYLMZGASRUFXPO-UHFFFAOYSA-N;144.17;0.75;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_P1";;;;;;;0.81;;-0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM403358;MM403358;N=c1onc(O)c(=O)n1N;GLSVLOJDOMPJMM-UHFFFAOYSA-N;144.09;-2.26;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP2_SP3";;;;;;;-2.2;;-9.24;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM403359;MM403359;C=COCCC(C#N)OC;BJKGOJNMRDIFER-UHFFFAOYSA-N;141.17;1.08;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_Na";;;;;;;0.87;;-2.22;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM403360;MM403360;Cc1[nH]nc(N)c(=O)c1O;CJGMMCRWVYGKLF-UHFFFAOYSA-N;141.13;-0.63;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP1_SP3";;;;;;;-1.93;;-8.74;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM403361;MM403361;CC(C)(O)CCC1(C)CC1;QFNBSIBCJSNMRC-UHFFFAOYSA-N;142.24;2.34;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda_SC4";;;;;;;2.2;;0.49;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM403362;MM403362;CNn1oc(=O)n(C)c1=N;HCJAYUNYNUUTRA-UHFFFAOYSA-N;144.13;-1.57;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP3_SP2";;;;;;;-2.2;;-5.19;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM403363;MM403363;C=CCNCC(C=C)CC;YIURJPTVTGELDA-UHFFFAOYSA-N;139.24;1.97;;;;;DOPC;MDCG;27;1;"MARTINI bead: C1_Nd";;;;;;;2.91;;-0.35;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM403364;MM403364;CNn1oc(=O)n(N)c1=N;GTAUGQXPVMRHCR-UHFFFAOYSA-N;145.12;-2.39;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP3_SP3";;;;;;;-3.07;;-6.15;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM403365;MM403365;C=CC(CC)CNCC#N;USJCHMAZFGKNMA-UHFFFAOYSA-N;138.21;1.31;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1_P2";;;;;;;1.8;;0.43;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM403366;MM403366;NC(=CC(=O)O)CO;UOYOCQOBJOPMGV-UHFFFAOYSA-N;117.1;-1.09;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_P1";;;;;;;-1.06;;-8.1;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM403367;MM403367;CC(C)ON=CC(F)CF;HBGJMRGNMCORPJ-UHFFFAOYSA-N;151.16;1.7;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_Na";;;;;;;1.64;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM403368;MM403368;CNn1oc(=N)n(C)c1=O;DEGUOWOTIZEBEN-UHFFFAOYSA-N;144.13;-1.57;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP2_SP3";;;;;;;-2.2;;-5.19;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM403369;MM403369;CC#CC(C)CC(O)CC;ACQSHADQMOCRSI-UHFFFAOYSA-N;140.23;1.81;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda_C2";;;;;;;2.83;;0.57;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM403370;MM403370;CNn1oc(=O)n(C)c1=O;QFGMOBRHAMPYJY-UHFFFAOYSA-N;145.12;-1.69;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP2_SP2";;;;;;;-1.34;;-4.31;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM403371;MM403371;COC=NN=CNN(C)C;YXPLSOKSKHSXNF-UHFFFAOYSA-N;144.18;-0.33;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_P2";;;;;;;-0.24;;-3.24;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM403372;MM403372;CNn1oc(=N)n(N)c1=O;TWUUPAKGFUFDBX-UHFFFAOYSA-N;145.12;-2.39;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP2_SP3";;;;;;;-2.2;;-5.19;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM403373;MM403373;C=CCC(C)NN=CC=O;WNOMMBLYWLFKRI-UHFFFAOYSA-N;140.19;0.73;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1_P1";;;;;;;2.08;;0.48;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM403374;MM403374;CNn1oc(=O)n(N)c1=O;SXGAEIDXUZQRNW-UHFFFAOYSA-N;146.11;-2.51;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP2_SP3";;;;;;;-2.2;;-5.19;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM403375;MM403375;C=CCNCC(C=C)CF;VISLUJCIVPUUOO-UHFFFAOYSA-N;143.21;1.53;;;;;DOPC;MDCG;27;1;"MARTINI bead: C5_Nd";;;;;;;1.64;;-2.1;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM403376;MM403376;CCOC=C(F)C(=O)O;ZZDQOSXHBQALNP-UHFFFAOYSA-N;134.11;0.92;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_P1";;;;;;;0.81;;-4.82;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM403377;MM403377;C=CC(CF)CNCC#N;MNYVRCVNXBWRCB-UHFFFAOYSA-N;142.18;0.87;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_P2";;;;;;;0.54;;-1.09;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM403378;MM403378;C#CC(O)C(=O)O;LWNHDEQKHFRYMD-UHFFFAOYSA-N;100.07;-0.93;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_P1";;;;;;;-1.06;;-8.11;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM403379;MM403379;CC#CC(C)C(C)C(C)O;ZZQQJBDFSLKBNK-UHFFFAOYSA-N;140.23;1.66;;;;;DOPC;MDCG;27;0;"MARTINI bead: C3_Nda";;;;;;;2.57;;0.44;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM403380;MM403380;COn1oc(=N)n(C)c1=N;LTERIPLEMIHTGG-UHFFFAOYSA-N;144.13;-1.56;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP2_SP3";;;;;;;-2.2;;-5.19;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM403381;MM403381;CCC(C#N)CNNC=N;KCWCBZCLMIQBCB-UHFFFAOYSA-N;140.19;0.24;;;;;DOPC;MDCG;27;1;"MARTINI bead: C5_P4";;;;;;;-0.41;;-5.59;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM403382;MM403382;COn1oc(=O)n(C)c1=N;CTFWPXMWMBUOED-UHFFFAOYSA-N;145.12;-1.68;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP2_SP2";;;;;;;-1.34;;-4.31;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM403383;MM403383;CCC(C#N)CNNC=O;IUDFZVJLJMIGBI-UHFFFAOYSA-N;141.17;-0.21;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_P4";;;;;;;-0.41;;-2.78;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM403384;MM403384;COn1oc(=N)n(N)c1=N;HOAYLIGQEMBBAC-UHFFFAOYSA-N;145.12;-2.39;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP2_SP3";;;;;;;-2.2;;-5.19;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM403385;MM403385;C=CC(CN)CNNC=N;XPLIIBVKLQPJPX-UHFFFAOYSA-N;142.21;-0.55;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_P4";;;;;;;-1.19;;-7.71;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM403386;MM403386;COn1oc(=O)n(N)c1=N;ZCRAIKDWRAGIFM-UHFFFAOYSA-N;146.11;-2.51;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP3_SP2";;;;;;;-2.2;;-5.19;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM403387;MM403387;C=CC(CN)CNNC=O;QNVBZISQNSBTTR-UHFFFAOYSA-N;143.19;-1;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_P4";;;;;;;-1.19;;-6.94;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM403388;MM403388;C=NN=CNNCC#N;ZTIJIQJNYXNHJO-UHFFFAOYSA-N;125.14;-0.75;;;;;DOPC;MDCG;27;0;"MARTINI bead: N0_P3";;;;;;;-0.8;;-2.99;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM403389;MM403389;C=CC(CO)CNNC=N;NZIYQKAXAJVQKS-UHFFFAOYSA-N;143.19;-0.52;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nda_P4";;;;;;;-1.19;;-7.6;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM403390;MM403390;CCOC(C)C#CC(=O)O;BGORBLCKPLGPTL-UHFFFAOYSA-N;142.15;0.5;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_P1";;;;;;;0.81;;-4.82;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM403391;MM403391;CNN=C(C)C(=O)C(=N)N;BSOQVQQZWHTBHK-UHFFFAOYSA-N;142.16;-0.91;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nd_P3";;;;;;;-1.1;;-3.93;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM403392;MM403392;COn1oc(=N)n(C)c1=O;ROSDVIYAYIQHKH-UHFFFAOYSA-N;145.12;-1.68;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP2_SP3";;;;;;;-2.2;;-5.19;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM403393;MM403393;N#CC(CO)CNNC=N;UBWWHBHDQVKMFT-UHFFFAOYSA-N;142.16;-1.18;;;;;DOPC;MDCG;27;1;"MARTINI bead: P2_P4";;;;;;;-2.29;;-8.73;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM403394;MM403394;COn1oc(=O)n(C)c1=O;JURQEIZTEBRJGK-UHFFFAOYSA-N;146.1;-1.8;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP2_SP2";;;;;;;-1.34;;-4.31;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM403395;MM403395;N#CC(CO)CNNC=O;UPBXJKUXJWJXEL-UHFFFAOYSA-N;143.15;-1.63;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_P4";;;;;;;-2.29;;-5.95;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM403396;MM403396;COn1oc(=N)n(N)c1=O;WGIWQSICGONSAS-UHFFFAOYSA-N;146.11;-2.51;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP2_SP3";;;;;;;-2.2;;-5.19;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM403397;MM403397;C=C(F)C(=NNC)OC=O;QFNKUEQXOKTDME-UHFFFAOYSA-N;146.12;0.18;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_C5";;;;;;;0.81;;-0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM403398;MM403398;COn1oc(=O)n(N)c1=O;SWAPPTGSTBHKEB-UHFFFAOYSA-N;147.09;-2.62;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP2_SP3";;;;;;;-2.2;;-5.19;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM403399;MM403399;N#CC(CF)CNNC=O;QLNBZSLEZALYLG-UHFFFAOYSA-N;145.14;-0.65;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_P4";;;;;;;-1.19;;-4.76;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM403400;MM403400;C=CC1CC(=O)N(C)C1=N;DQMFNNAZUIZETA-UHFFFAOYSA-N;138.17;0.63;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP2_SN0";;;;;;;0.06;;-2.21;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM403401;MM403401;C=CC(CNCC=O)NC;AFUOQXWTGBFBSK-UHFFFAOYSA-N;142.2;-0.45;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_P5";;;;;;;-1.11;;-7.03;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM403402;MM403402;C#CCCNN=CC=O;GBXFEFHZBZEVLO-UHFFFAOYSA-N;124.14;-0.22;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_N0";;;;;;;0.34;;-1.53;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM403403;MM403403;C=CC(CNCC#N)NC;ONFJBAOKXULOOV-UHFFFAOYSA-N;139.2;-0.13;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_P2";;;;;;;-0.24;;-4.7;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM403404;MM403404;C=CC1NC(=N)N(C)C1=N;WYALKFWZAWOCDT-UHFFFAOYSA-N;138.17;-0.01;;;;;DOPC;MDCG;27;1;"MARTINI bead: SP2_SP2";;;;;;;-1.34;;-7.09;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM403405;MM403405;C#CCC1=CC(C)C(O)C1;VPVOAYBQWBWKGP-UHFFFAOYSA-N;136.19;1.34;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC4_SNda";;;;;;;2.2;;0.49;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM403406;MM403406;NN=CNN=CC=CF;HGOVHIFLDHBKAM-UHFFFAOYSA-N;130.13;-0.05;;;;;DOPC;MDCG;27;0;"MARTINI bead: P4_C4";;;;;;;0.15;;-2.18;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM403407;MM403407;CNC(C#N)CNCC#N;OYOXFDUPLFARSP-UHFFFAOYSA-N;138.17;-0.79;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_P2";;;;;;;-1.34;;-4.31;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM403408;MM403408;C=C1C(C)C(=O)CN1C=O;UGJBGUFVUFNBSU-UHFFFAOYSA-N;139.15;0.18;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP2_SNda";;;;;;;-0.24;;-3.31;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM403409;MM403409;C=CC(CNNC=N)NC;OOSSGRDAGXSHID-UHFFFAOYSA-N;142.21;-0.54;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_P4";;;;;;;-1.19;;-7.67;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM403410;MM403410;C=C1CN(C=N)C(=C)C1N;AYGNFDNMHVQFFT-UHFFFAOYSA-N;137.19;0.31;;;;;DOPC;MDCG;27;1;"MARTINI bead: SP2_SNd";;;;;;;-0.24;;-5.83;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM403411;MM403411;CNC(C#N)CNNC=N;BNMFNVBRWVNVNT-UHFFFAOYSA-N;141.18;-1.2;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1_P4";;;;;;;-2.01;;-7.97;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM403412;MM403412;C=Cn1[nH]c(=O)n(C)c1=N;ILLUTHVGLVZSCV-UHFFFAOYSA-N;140.15;-0.91;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP3_N0";;;;;;;-0.8;;-2.99;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM403413;MM403413;C=C1CC(C)CC(O)C1=C;PSEWTNCKIPCSLQ-UHFFFAOYSA-N;138.21;1.89;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC1_SC5";;;;;;;3.68;;0.46;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM403414;MM403414;Cn1c(=O)[nH]n(C=O)c1=N;GZEWWNWUENMTGN-UHFFFAOYSA-N;142.12;-1.97;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP3_SP2";;;;;;;-2.2;;-5.19;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM403415;MM403415;C=CCNCC(C=C)OC;IMRCFGDMHHIHBW-UHFFFAOYSA-N;141.21;0.96;;;;;DOPC;MDCG;27;1;"MARTINI bead: Na_Nd";;;;;;;0.87;;-3.62;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM403416;MM403416;C=Cn1[nH]c(=O)n(N)c1=N;DTGSOSGGRJZYFV-UHFFFAOYSA-N;141.13;-1.73;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP3_N0";;;;;;;-0.8;;-2.99;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM403417;MM403417;COC(C#N)CNCC#N;ADQMDVBRPUHWNJ-UHFFFAOYSA-N;139.16;-0.36;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_P2";;;;;;;-1.06;;-3.82;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM403418;MM403418;CCC(C#CC(=O)O)OC;PMCCHJAVLCIUKF-UHFFFAOYSA-N;142.15;0.5;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4_P1";;;;;;;1.37;;-4.28;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM403419;MM403419;C=CC(CNNC=N)OC;LRLZBBKKUGBVQT-UHFFFAOYSA-N;143.19;-0.11;;;;;DOPC;MDCG;27;1;"MARTINI bead: Na_P4";;;;;;;-1.19;;-7.55;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM403420;MM403420;CCC(O)C(=O)C(=O)O;XDAOHSVZXQBFMP-UHFFFAOYSA-N;132.12;-0.59;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda_P2";;;;;;;-0.24;;-7.59;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM403421;MM403421;C=CC(=O)CNC(C)C#N;PYAYENDSIRXBOC-UHFFFAOYSA-N;138.17;0.24;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_Na";;;;;;;-0.24;;-3.24;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM403422;MM403422;C=Cn1[nH]c(=O)n(C)c1=O;HOUWKHGRKMKTLB-UHFFFAOYSA-N;141.13;-1.02;;;;;DOPC;MDCG;27;-1;"MARTINI bead: SP2_SNd";;;;;;;-0.24;;-6.12;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM403423;MM403423;COC(C=O)CNN=CN;YPNARNMFPLQFQR-UHFFFAOYSA-N;145.16;-1.31;;;;;DOPC;MDCG;27;1;"MARTINI bead: Na_P3";;;;;;;-1.1;;-5.7;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM403424;MM403424;CCCC(O)C#CC(=O)O;ZJKGBFCNKLDHQG-UHFFFAOYSA-N;142.15;0.24;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_P1";;;;;;;0.81;;-4.82;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM403425;MM403425;COC(C#N)CNNC=N;XQZDFJKRRTWDFF-UHFFFAOYSA-N;142.16;-0.77;;;;;DOPC;MDCG;27;1;"MARTINI bead: Na_P4";;;;;;;-1.19;;-7.55;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM403426;MM403426;CC1=C(CF)N=NC1=CO;CQTOXRPISZAILB-UHFFFAOYSA-N;142.13;2.1;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC5_SNda";;;;;;;1.64;;-4.24;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM403427;MM403427;CCN(C=O)NCC(C)=O;QBIBBOQXCDSGKD-UHFFFAOYSA-N;144.17;-0.44;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_P1";;;;;;;-1.06;;-3.82;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM403428;MM403428;NC(=NO)C(=O)O;RJMQUNKOKDIVRX-UHFFFAOYSA-N;104.07;-1.18;;;;;DOPC;MDCG;27;0;"MARTINI bead: P3_P1";;;;;;;-1.93;;-8.74;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM403429;MM403429;COC(C#N)CNNC=O;GRRHWJYIZFBZAR-UHFFFAOYSA-N;143.15;-1.22;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_P4";;;;;;;-1.19;;-4.76;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM403430;MM403430;OCc1cc(O)on1;HASNDMMHIILIED-UHFFFAOYSA-N;115.09;-0.13;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNda_SNda";;;;;;;0.87;;-6.44;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM403431;MM403431;C=CCOCC(C=C)CC;OSPGZUWVEYLUIW-UHFFFAOYSA-N;140.23;2.4;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1_Na";;;;;;;2.91;;0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM403432;MM403432;N=c1nnc(=O)c(O)no1;SCXRYQZLKMPQRV-UHFFFAOYSA-N;142.07;-1.99;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP3_SP3";;;;;;;-3.07;;-10.05;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM403433;MM403433;C=CC(CC)COCC=O;JMZCXEDVSGYDMK-UHFFFAOYSA-N;142.2;1.41;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1_P1";;;;;;;2.08;;0.48;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM403434;MM403434;C#Cc1cc(O)on1;WLDIBLNHYXETQD-UHFFFAOYSA-N;109.08;0.36;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNda_SNa";;;;;;;0.87;;-6.36;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM403435;MM403435;C=CC(CC)COCC#N;CARASXMCUYJVPD-UHFFFAOYSA-N;139.2;1.74;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1_P1";;;;;;;2.08;;0.48;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM403436;MM403436;CON=CONC(=O)CF;UZOHDAIXMSAWGK-UHFFFAOYSA-N;150.11;-0.41;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_Na";;;;;;;-0.24;;-7.54;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM403437;MM403437;C=CCOCC(C=O)CC;VSGSZKIREJDNSU-UHFFFAOYSA-N;142.2;1.41;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_Na";;;;;;;1.64;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM403438;MM403438;Nn1c(F)c(O)oc1=O;MAVOWLDHEYLKEV-UHFFFAOYSA-N;134.07;-1;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP2_SP1";;;;;;;-1.06;;-8.11;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM403439;MM403439;C=CCOCC(C#N)CC;PJLNHJALTLRQEU-UHFFFAOYSA-N;139.2;1.74;;;;;DOPC;MDCG;27;0;"MARTINI bead: N0_Na";;;;;;;1.17;;-1.18;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM403440;MM403440;CNn1[nH]c(=O)n(C)c1=O;KMFMJRYOZURZFB-UHFFFAOYSA-N;144.13;-1.95;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP2_SP2";;;;;;;-1.34;;-8.61;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM403441;MM403441;CCC(C=O)COCC=O;DPJUXHWIUJRBFR-UHFFFAOYSA-N;144.17;0.43;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_P1";;;;;;;0.81;;-0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM403442;MM403442;CC(=O)n1oc(O)nc1=O;VDWNXJXSBJISRZ-UHFFFAOYSA-N;144.09;-0.8;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP2_SP1";;;;;;;-1.06;;-8.12;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM403443;MM403443;CCC(C=O)COCC#N;TVCUOOXTHBJSDG-UHFFFAOYSA-N;141.17;0.75;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_P1";;;;;;;0.81;;-0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM403444;MM403444;CC#CC(OC=O)C(=O)O;DODPPFIISXQYCV-UHFFFAOYSA-N;142.11;-0.36;;;;;DOPC;MDCG;27;0;"MARTINI bead: N0_P1";;;;;;;0.34;;-5.89;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM403445;MM403445;CCC(C#N)COCC=O;WQNFCMXYFKOJHL-UHFFFAOYSA-N;141.17;0.75;;;;;DOPC;MDCG;27;0;"MARTINI bead: N0_P1";;;;;;;0.34;;-1.53;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM403446;MM403446;NN=c1nc(O)[nH]c(=O)o1;YJPOTBZUYNLHBT-UHFFFAOYSA-N;144.09;-2.16;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP3_SP3";;;;;;;-3.07;;-10.05;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM403447;MM403447;C=CCOCC(C=C)CN;MMSJYGFNAZKVID-UHFFFAOYSA-N;141.21;0.95;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_Na";;;;;;;0.87;;-4.58;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM403448;MM403448;CC(=O)N(O)C(=N)C(=O)O;IVOOWICBGTXQLN-UHFFFAOYSA-N;146.1;-0.71;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_P1";;;;;;;-1.06;;-8.12;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM403449;MM403449;C=CCOCC(C=C)CO;FWQIDCBYROWSKW-UHFFFAOYSA-N;142.2;0.98;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda_Na";;;;;;;0.87;;-1.99;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM403450;MM403450;Cn1c(=N)on(C=O)c1=N;JSJNLYRNDVXXEH-UHFFFAOYSA-N;142.12;-1.58;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP3_SP3";;;;;;;-3.07;;-6.15;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM403451;MM403451;C=CC(CO)COCC=O;FEQHWWCZSBPGMT-UHFFFAOYSA-N;144.17;;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda_P2";;;;;;;-0.24;;-3.31;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM403452;MM403452;C=Cn1oc(=O)n(C)c1=N;CERDCOZPLYKASO-UHFFFAOYSA-N;141.13;-0.64;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP2_SP2";;;;;;;-1.34;;-4.31;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM403453;MM403453;C=CCOCC(C=O)CO;NFPDPUQLGULYLJ-UHFFFAOYSA-N;144.17;;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_Na";;;;;;;-0.24;;-3.24;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM403454;MM403454;Cn1c(=O)on(C=N)c1=N;SOLGHFNQMIUCEX-UHFFFAOYSA-N;142.12;-1.29;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP3_SP2";;;;;;;-2.2;;-5.19;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM403455;MM403455;O=CCOCC(C=O)CO;ZWFAYLFQPOABDO-UHFFFAOYSA-N;146.14;-0.99;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_P1";;;;;;;-1.06;;-3.82;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM403456;MM403456;Cn1c(=O)on(C=O)c1=N;RBYAKCVJIVJTEN-UHFFFAOYSA-N;143.1;-1.7;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP3_SP2";;;;;;;-2.2;;-5.19;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM403457;MM403457;N#CCOCC(C#N)CO;KUPWPOLIPHEKBT-UHFFFAOYSA-N;140.14;-0.34;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_P1";;;;;;;-1.06;;-3.82;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM403458;MM403458;N=Cn1oc(=N)n(N)c1=N;KJIZBVCSJDNDRU-UHFFFAOYSA-N;142.12;-1.99;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP3_SP3";;;;;;;-3.07;;-6.15;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM403459;MM403459;C=CCOCC(C=C)CF;UJTPSNDSXRMWSY-UHFFFAOYSA-N;144.19;1.96;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_Na";;;;;;;1.64;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM403460;MM403460;N=c1on(C=O)c(=N)n1N;FPLBIANFBYYSSE-UHFFFAOYSA-N;143.11;-2.41;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP3_SP3";;;;;;;-3.07;;-6.15;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM403461;MM403461;C=CC(CF)COCC#N;WUTBOWHWBGFZKY-UHFFFAOYSA-N;143.16;1.3;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_P1";;;;;;;0.81;;-0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM403462;MM403462;C=Cn1oc(=O)n(N)c1=N;UCXYRJMUAHYPGW-UHFFFAOYSA-N;142.12;-1.46;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP2_SP3";;;;;;;-2.2;;-5.19;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM403463;MM403463;C=CCOCC(C#N)CF;UYOOLULCPLJHCV-UHFFFAOYSA-N;143.16;1.3;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_Na";;;;;;;0.87;;-2.22;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM403464;MM403464;N=Cn1oc(=O)n(N)c1=N;COWNBACRQUUJFV-UHFFFAOYSA-N;143.11;-2.11;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP3_SP3";;;;;;;-3.07;;-6.15;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM403465;MM403465;C=CC(CC)CONC=N;MXSCQPXIQTUAHZ-UHFFFAOYSA-N;142.2;1.33;;;;;DOPC;MDCG;27;1;"MARTINI bead: C1_P3";;;;;;;0.94;;-1.58;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM403466;MM403466;N=c1n(C=O)oc(=O)n1N;INZXIXKPZCWBKY-UHFFFAOYSA-N;144.09;-2.53;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP3_SP3";;;;;;;-3.07;;-6.15;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM403467;MM403467;C=CC(CC)CONC=O;HRVPOSUTUIIESA-UHFFFAOYSA-N;143.19;0.88;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1_P4";;;;;;;0.85;;-0.64;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM403468;MM403468;O=CC#CC(=O)C1CN1;UBKBPYZQPVWFEL-UHFFFAOYSA-N;123.11;-1.27;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_SP2";;;;;;;-0.24;;-3.24;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM403469;MM403469;C=CC(CN)CONC=N;ILNXNSMJDHDTRI-UHFFFAOYSA-N;143.19;-0.12;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_P3";;;;;;;-1.1;;-6.41;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM403470;MM403470;C=CC(O)C(C)C1CC1;UBWQRYSFAJVWLH-UHFFFAOYSA-N;126.2;1.58;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda_SC3";;;;;;;2.57;;0.44;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM403471;MM403471;C=CC(CN)CONC=O;YWNSYCXFSDTQFM-UHFFFAOYSA-N;144.17;-0.58;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_P4";;;;;;;-1.19;;-7.33;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM403472;MM403472;C=C(C(O)CC)C1CC1;UIELOSJUOXAQKY-UHFFFAOYSA-N;126.2;1.72;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda_SC4";;;;;;;2.2;;0.49;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM403473;MM403473;C=CC(CO)CONC=N;ANTKFLOCDAMLSV-UHFFFAOYSA-N;144.17;-0.09;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nda_P3";;;;;;;-1.1;;-5.75;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM403474;MM403474;COC(C)=C(F)C(=O)O;PSTCMVFJGGWDGQ-UHFFFAOYSA-N;134.11;0.92;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_P1";;;;;;;0.81;;-4.83;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM403475;MM403475;N#CC(CO)CONC=N;FKFJQUJSUCAHOS-UHFFFAOYSA-N;143.15;-0.75;;;;;DOPC;MDCG;27;1;"MARTINI bead: P2_P3";;;;;;;-2.2;;-6.97;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM403476;MM403476;CON(C=O)C(=N)C(=O)O;VMBFLJKRGRPKNE-UHFFFAOYSA-N;146.1;-0.93;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_P2";;;;;;;-1.34;;-8.62;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM403477;MM403477;N#CC(CO)CONC=O;RZLYRTLBIGINKU-UHFFFAOYSA-N;144.13;-1.2;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_P2";;;;;;;-1.34;;-4.31;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM403478;MM403478;C#CC(O)C(=O)NOC;DZEDTOKERBLSTH-UHFFFAOYSA-N;129.12;-1.34;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_P2";;;;;;;-1.34;;-8.62;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM403479;MM403479;C=CC(CF)CONC=N;SFGWLHNMSKZMOJ-UHFFFAOYSA-N;146.17;0.89;;;;;DOPC;MDCG;27;1;"MARTINI bead: C4_P4";;;;;;;0.15;;-3.92;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM403480;MM403480;C=Cn1oc(=N)n(C)c1=O;XJEGGUVRHOGJSN-UHFFFAOYSA-N;141.13;-0.64;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP3_SP2";;;;;;;-2.2;;-5.19;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM403481;MM403481;C=CC(CF)CONC=O;YEXKRZKOXZAYBZ-UHFFFAOYSA-N;147.15;0.44;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4_P4";;;;;;;0.15;;-2.18;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM403482;MM403482;Cn1c(=N)on(C=N)c1=O;NPOWMUSWCGVKBJ-UHFFFAOYSA-N;142.12;-1.29;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP3_SP3";;;;;;;-3.07;;-6.15;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM403483;MM403483;O=CNOCC(C=O)CF;SRZBBLGJALESIX-UHFFFAOYSA-N;149.12;-0.55;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_P2";;;;;;;-1.06;;-3.82;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM403484;MM403484;Cn1c(=N)on(C=O)c1=O;GQPJHTBXDPMBHH-UHFFFAOYSA-N;143.1;-1.7;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP3_SP2";;;;;;;-2.2;;-5.19;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM403485;MM403485;C=CCOCC(C=C)NC;WINDYLSIYVPYHJ-UHFFFAOYSA-N;141.21;0.96;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_Na";;;;;;;0.87;;-3.57;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM403486;MM403486;C=Cn1oc(=O)n(C)c1=O;WYSFTSZSWSBJHP-UHFFFAOYSA-N;142.11;-0.76;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP2_SP2";;;;;;;-1.34;;-4.31;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM403487;MM403487;CNC(C#N)COCC#N;UXMKTCYNQWFQPO-UHFFFAOYSA-N;139.16;-0.36;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_P1";;;;;;;-1.06;;-3.82;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM403488;MM403488;Cn1c(=O)on(C=N)c1=O;WJKIPODDLYYLAG-UHFFFAOYSA-N;143.1;-1.4;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP2_SP3";;;;;;;-2.2;;-5.19;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM403489;MM403489;C=CC(CONC=N)NC;BBJBVBDECLDJJN-UHFFFAOYSA-N;143.19;-0.11;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_P4";;;;;;;-1.19;;-6.66;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM403490;MM403490;Cn1c(=O)on(C=O)c1=O;UZLVDUGSXJVBDK-UHFFFAOYSA-N;144.09;-1.82;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP2_SP2";;;;;;;-1.34;;-4.31;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM403491;MM403491;C=CC(CONC=O)NC;XRXCOKSCEGQJEQ-UHFFFAOYSA-N;144.17;-0.56;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_P4";;;;;;;-1.19;;-6.12;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM403492;MM403492;C=Cn1oc(=N)n(N)c1=O;PXKYDGTVYHCMRL-UHFFFAOYSA-N;142.12;-1.46;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP3_SP2";;;;;;;-2.2;;-5.19;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM403493;MM403493;CNC(C#N)CONC=O;RLYDQZASWBDDGA-UHFFFAOYSA-N;143.15;-1.22;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_P2";;;;;;;-1.34;;-4.31;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM403494;MM403494;N=Cn1oc(=N)n(N)c1=O;HNSJUQSKVSJEET-UHFFFAOYSA-N;143.11;-2.11;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP3_SP3";;;;;;;-3.07;;-6.15;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM403495;MM403495;C=CCOCC(C=C)OC;ITVHMHAFWZRDFS-UHFFFAOYSA-N;142.2;1.39;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_Na";;;;;;;0.87;;-2.22;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM403496;MM403496;C=Cn1oc(=O)n(N)c1=O;IKTWTHHZJHKXLS-UHFFFAOYSA-N;143.1;-1.58;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP3_SP2";;;;;;;-2.2;;-5.19;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM403497;MM403497;C=CCOCC(C#N)OC;LCFWFQOBRJGEKF-UHFFFAOYSA-N;141.17;0.73;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_Na";;;;;;;0.87;;-2.22;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM403498;MM403498;N=Cn1oc(=O)n(N)c1=O;QZEVHSSNAHUXRF-UHFFFAOYSA-N;144.09;-2.23;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP3_SP3";;;;;;;-3.07;;-6.15;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM403499;MM403499;COC(C=O)COCC=O;FGLSLKHDDCTBKF-UHFFFAOYSA-N;146.14;-0.58;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_P2";;;;;;;-0.24;;-3.24;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM403500;MM403500;COC(C)(C)C#CC(=O)O;DYONNEQVYLLPBL-UHFFFAOYSA-N;142.15;0.5;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4_P1";;;;;;;1.37;;-4.29;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM403501;MM403501;C=CC(CONC=O)OC;NLCHPNCLJVJALN-UHFFFAOYSA-N;145.16;-0.14;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_P2";;;;;;;-0.24;;-3.24;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM403502;MM403502;COC1=CC(=CO)N=N1;VRYQHHHGMHZMBD-UHFFFAOYSA-N;126.12;1.34;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNa_SNda";;;;;;;0.87;;-6.37;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM403503;MM403503;COC(C#N)CONC=N;AOYXTRXJUWZGNF-UHFFFAOYSA-N;143.15;-0.35;;;;;DOPC;MDCG;27;1;"MARTINI bead: Na_P4";;;;;;;-1.19;;-6.48;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM403504;MM403504;COc1cc(O)on1;KXPQKSSAGIRFKU-UHFFFAOYSA-N;115.09;0.39;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNa_SNda";;;;;;;0.87;;-6.37;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM403505;MM403505;COC(C#N)CONC=O;FAJRICVNGBICGO-UHFFFAOYSA-N;144.13;-0.8;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_P4";;;;;;;-1.19;;-4.76;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM403506;MM403506;CNn1nc(O)n(O)c1=O;HNQDCUGVDGJJHT-UHFFFAOYSA-N;146.11;-1.84;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP2_SP3";;;;;;;-2.2;;-9.25;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM403507;MM403507;C=CCCNC(C=C)CC;PLTYCPQODPMSQO-UHFFFAOYSA-N;139.24;2.12;;;;;DOPC;MDCG;27;1;"MARTINI bead: C1_Nd";;;;;;;2.91;;-0.44;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM403508;MM403508;C=Nn1oc(=N)n(C)c1=N;XVQWRXXOIYFTDC-UHFFFAOYSA-N;141.13;-1.16;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP3_SP2";;;;;;;-2.2;;-5.19;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM403509;MM403509;C=CC(CC)NCCC=O;TWNVMWBWDLDGDT-UHFFFAOYSA-N;141.21;1.13;;;;;DOPC;MDCG;27;1;"MARTINI bead: C1_P3";;;;;;;0.94;;-1.81;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM403510;MM403510;C=Nn1oc(=O)n(C)c1=N;SSUGAFCTDISOIR-UHFFFAOYSA-N;142.12;-1.28;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP2_SP2";;;;;;;-1.34;;-4.31;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM403511;MM403511;C=CCCNC(C=O)CC;DEZYEMJBKDYYCD-UHFFFAOYSA-N;141.21;1.13;;;;;DOPC;MDCG;27;1;"MARTINI bead: C5_Nd";;;;;;;1.64;;-1.31;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM403512;MM403512;C=Nn1oc(=N)n(N)c1=N;QYGCVOOWNGPUSA-UHFFFAOYSA-N;142.12;-1.98;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP3_SP2";;;;;;;-2.2;;-5.19;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM403513;MM403513;C=CCCNC(C#N)CC;JZNKAXWMIDLBEL-UHFFFAOYSA-N;138.21;1.45;;;;;DOPC;MDCG;27;0;"MARTINI bead: N0_Nd";;;;;;;1.17;;-1.04;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM403514;MM403514;C=Nn1oc(=O)n(N)c1=N;WNXLRUDAAWUYRE-UHFFFAOYSA-N;143.11;-2.1;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP3_SP2";;;;;;;-2.2;;-5.19;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM403515;MM403515;CCC(C#N)NCCC#N;GHPVYGYKXXJGCE-UHFFFAOYSA-N;137.19;0.79;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_P1";;;;;;;-0.79;;-3.13;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM403516;MM403516;CC(O)CC(C)(C)CC=O;CZVRNPXTEBALES-UHFFFAOYSA-N;144.21;1.37;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda_C5";;;;;;;1.64;;0.05;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM403517;MM403517;CCC1(CO)C=C(C)CC1;PJAYNTPNMQLJTC-UHFFFAOYSA-N;140.23;2.12;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC5_SC4";;;;;;;2.97;;0.45;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM403518;MM403518;CC#Cc1cc(O)on1;RFENRVJOTGIPGF-UHFFFAOYSA-N;123.11;0.75;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC5_SNda";;;;;;;1.64;;-4.25;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM403519;MM403519;C=CC(=O)C(C)ON=CC;QJHSVRZUQQYVIM-UHFFFAOYSA-N;141.17;1.15;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_Na";;;;;;;1.64;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM403520;MM403520;C=Nn1oc(=N)n(C)c1=O;BXXIGJXCMZKBHC-UHFFFAOYSA-N;142.12;-1.28;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP3_SP3";;;;;;;-3.07;;-6.15;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM403521;MM403521;CNN=CON=C(C)NC;ZMPDJYXHNZAFHB-UHFFFAOYSA-N;144.18;-0.28;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_Nd";;;;;;;-0.24;;-3.16;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM403522;MM403522;C=Nn1oc(=O)n(C)c1=O;STRXXFXCBXRJKX-UHFFFAOYSA-N;143.1;-1.4;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP2_SP3";;;;;;;-2.2;;-5.19;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM403523;MM403523;FCCON=CC(F)CF;DPQUYRFRDYQQRZ-UHFFFAOYSA-N;155.12;1.27;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_Na";;;;;;;0.87;;-2.22;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM403524;MM403524;C=Nn1oc(=N)n(N)c1=O;AMLCZVOKAYKFMU-UHFFFAOYSA-N;143.11;-2.1;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP3_SP3";;;;;;;-3.07;;-6.15;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM403525;MM403525;C=CCCOC(C=C)CC;FCRJQWYNTVJDLW-UHFFFAOYSA-N;140.23;2.54;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1_Na";;;;;;;2.91;;0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM403526;MM403526;C=Nn1oc(=O)n(N)c1=O;YDRKUCYAICDQMD-UHFFFAOYSA-N;144.09;-2.22;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP3_SP3";;;;;;;-3.07;;-6.15;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM403527;MM403527;C=CC(CC)OCCC=O;PRELRTBAWCINIO-UHFFFAOYSA-N;142.2;1.56;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1_P2";;;;;;;1.8;;0.4;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM403528;MM403528;NC(CO)=C(F)C(=O)O;WPZYCUAFKYEBBG-UHFFFAOYSA-N;135.09;-0.8;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_P1";;;;;;;-1.06;;-8.12;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM403529;MM403529;C=CC(CC)OCCC#N;ZDHKASKLLDRXPJ-UHFFFAOYSA-N;139.2;1.88;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1_P2";;;;;;;1.8;;0.4;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM403530;MM403530;NN=c1ncc(=O)nn[nH]1;KATIKCIKYOYANU-UHFFFAOYSA-N;140.11;-2.67;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP3_SP4";;;;;;;-3.15;;-10.23;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM403531;MM403531;C=CCCOC(C=O)CC;WZRNWXFIAOAVTD-UHFFFAOYSA-N;142.2;1.56;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_Na";;;;;;;1.64;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM403532;MM403532;C#CC1CC(=C)C(C)C1=C;TVYZHCCFMPTKOU-UHFFFAOYSA-N;132.21;2.39;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC3_SC4";;;;;;;3.9;;0.47;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM403533;MM403533;C=CCCOC(C#N)CC;BUXZEBAZKWOLDR-UHFFFAOYSA-N;139.2;1.88;;;;;DOPC;MDCG;27;0;"MARTINI bead: N0_Na";;;;;;;1.17;;-1.18;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM403534;MM403534;C#CC1CC(=N)N(N)C1=C;ONOYLLWDAYFTQE-UHFFFAOYSA-N;135.17;0.31;;;;;DOPC;MDCG;27;1;"MARTINI bead: SP1_SP1";;;;;;;-0.79;;-5.76;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM403535;MM403535;CCC(C=O)OCCC=O;MEUKPQPBJIGXQU-UHFFFAOYSA-N;144.17;0.57;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_P2";;;;;;;0.54;;-1.09;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM403536;MM403536;C#CC1CC(=N)N(C)C1=N;HOAXZUFQOWKRJH-UHFFFAOYSA-N;135.17;0.53;;;;;DOPC;MDCG;27;1;"MARTINI bead: SP1_SP1";;;;;;;-0.79;;-4.87;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM403537;MM403537;CCC(C=O)OCCC#N;JMDSXOUTUVBAPT-UHFFFAOYSA-N;141.17;0.89;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_P2";;;;;;;0.54;;-1.09;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM403538;MM403538;C#CC(=C)CC(C)(O)C=C;GZOBHRJCEGWBSW-UHFFFAOYSA-N;136.19;1.5;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda_C5";;;;;;;1.64;;0.05;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM403539;MM403539;CCC(C#N)OCCC#N;KEWJTFYJLVFHDL-UHFFFAOYSA-N;138.17;1.22;;;;;DOPC;MDCG;27;0;"MARTINI bead: N0_P2";;;;;;;0.06;;-2.21;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM403540;MM403540;C=C1C(=C)C(CC)CC1C;WUVWTUHCLWETTJ-UHFFFAOYSA-N;136.24;3.16;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC1_SC3";;;;;;;4.61;;0.31;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM403541;MM403541;C=CCCOC(C=C)CN;JIOXFLBGRNLCJW-UHFFFAOYSA-N;141.21;1.09;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_Na";;;;;;;0.87;;-3.91;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM403542;MM403542;C=C1C(=C)C(CN)CC1C;LPRWBHVTVZAIHH-UHFFFAOYSA-N;137.23;1.71;;;;;DOPC;MDCG;27;1;"MARTINI bead: SC5_SC3";;;;;;;3.34;;0.36;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM403543;MM403543;C=CCCOC(C=C)CO;GMEFZTGGGKZMHL-UHFFFAOYSA-N;142.2;1.13;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda_Na";;;;;;;0.87;;-1.99;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM403544;MM403544;C=C1C(=C)C(CC)CC1N;IDNJJGPOWAVCMA-UHFFFAOYSA-N;137.23;1.86;;;;;DOPC;MDCG;27;1;"MARTINI bead: SC1_SNd";;;;;;;2.91;;-0.24;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM403545;MM403545;C=CC(CO)OCCC=O;JDQAKNRNQMZGFA-UHFFFAOYSA-N;144.17;0.14;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda_P2";;;;;;;-0.24;;-3.31;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM403546;MM403546;C=C1C(=C)C(NC)CC1C;KEKYPKZYLKRHMZ-UHFFFAOYSA-N;137.23;1.73;;;;;DOPC;MDCG;27;1;"MARTINI bead: SNd_SC3";;;;;;;2.57;;-1.17;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM403547;MM403547;C=CCCOC(C=O)CO;SHTIXLFSDSZGMN-UHFFFAOYSA-N;144.17;0.14;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_Na";;;;;;;-0.24;;-3.24;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM403548;MM403548;C=C1C(=C)C(NC)CC1N;OHIOEAASDKRPIH-UHFFFAOYSA-N;138.21;0.42;;;;;DOPC;MDCG;27;1;"MARTINI bead: SNd_SNd";;;;;;;0.87;;-4.51;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM403549;MM403549;N#CCCOC(C#N)CO;INUQJYIHLAWRMD-UHFFFAOYSA-N;140.14;-0.2;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_P1";;;;;;;-1.06;;-3.82;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM403550;MM403550;CNc1n[nH]c(O)c1F;ZLURWQOHPYLKKK-UHFFFAOYSA-N;131.11;0.3;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNda_SNda";;;;;;;0.87;;-6.45;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM403551;MM403551;C=CC(CF)OCCC=O;RDIWGXNGNZIUOG-UHFFFAOYSA-N;146.16;1.12;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_P2";;;;;;;0.54;;-1.09;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM403552;MM403552;C=C1C(=C)C(C=O)CC1O;UIPQVKQISBVBEJ-UHFFFAOYSA-N;138.17;0.68;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNa_SNda";;;;;;;0.87;;-1.99;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM403553;MM403553;N#CCCOC(C#N)CF;ZRMPCPYZGZJXNR-UHFFFAOYSA-N;142.13;0.78;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_P2";;;;;;;-0.24;;-3.24;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM403554;MM403554;C=C1C(=C)N(C=N)CC1N;PEADLCVOAABKPS-UHFFFAOYSA-N;137.19;0.31;;;;;DOPC;MDCG;27;1;"MARTINI bead: SNd_SP2";;;;;;;-0.24;;-5.7;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM403555;MM403555;C=COCOC(C=C)CC;ZWTMJUFAKJWLLQ-UHFFFAOYSA-N;142.2;2.09;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1_P1";;;;;;;2.08;;0.48;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM403556;MM403556;C=C1C(=C)N(C=N)CC1O;MEPYYFABILMKBX-UHFFFAOYSA-N;138.17;0.34;;;;;DOPC;MDCG;27;1;"MARTINI bead: SNd_SP2";;;;;;;-0.24;;-5.36;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM403557;MM403557;CCC(C=O)OCOC=O;OHEDGFQCBUPEII-UHFFFAOYSA-N;146.14;0.11;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_P2";;;;;;;0.54;;-1.09;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM403558;MM403558;C=Cn1on(C)c(=O)c1=N;QJMHPNBTJQGXNV-UHFFFAOYSA-N;141.13;-0.64;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP2_SP2";;;;;;;-1.34;;-4.31;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM403559;MM403559;C=COCOC(C=C)CN;VMYIXEDJPZARKU-UHFFFAOYSA-N;143.19;0.63;;;;;DOPC;MDCG;27;1;"MARTINI bead: P2_N0";;;;;;;0.06;;-4.23;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM403560;MM403560;C#CC1CC(F)C(=C)C1=C;OYHSTAWJQDZUKQ-UHFFFAOYSA-N;136.17;2.09;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC5_SC4";;;;;;;2.97;;0.45;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM403561;MM403561;C=COCOC(C=C)CO;RMWKEIPQNQRQGS-UHFFFAOYSA-N;144.17;0.67;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_N0";;;;;;;0.34;;-1.53;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM403562;MM403562;C=C1CN(C=N)C(=C)C1=C;WVQUWOMYDBWYHD-UHFFFAOYSA-N;134.18;1.54;;;;;DOPC;MDCG;27;1;"MARTINI bead: SNd_SP1";;;;;;;0.04;;-4.93;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM403563;MM403563;C=CC(CO)OCOC=O;HEEUEXCKXDXZFC-UHFFFAOYSA-N;146.14;-0.32;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda_P2";;;;;;;-0.24;;-3.31;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM403564;MM403564;C=c1c(=O)[nH]n(C=O)c1=C;NZIXQMKZYZPKNR-UHFFFAOYSA-N;138.13;-1.96;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP1_P2";;;;;;;-1.06;;-3.82;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM403565;MM403565;C=COCOC(C=O)CO;FNTAPEQBWHOGLP-UHFFFAOYSA-N;146.14;-0.32;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_P1";;;;;;;-1.06;;-3.82;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM403566;MM403566;CCC(C)(CO)CC(C)C;JIZZVMCXCCJUHI-UHFFFAOYSA-N;144.26;2.44;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_C3";;;;;;;3.34;;0.48;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM403567;MM403567;N#CC(CO)OCOC=O;GFBJYTXXGDHFHU-UHFFFAOYSA-N;145.11;-0.98;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_P2";;;;;;;-1.34;;-4.31;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM403568;MM403568;CN=c1[nH]c(=N)n(C)n1C;ZSLGQYCCRZRLPN-UHFFFAOYSA-N;141.18;-1.3;;;;;DOPC;MDCG;27;1;"MARTINI bead: SP3_SP3";;;;;;;-3.07;;-9.18;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM403569;MM403569;C=CCCOC(C=C)OC;KKDVNGKYDABRAT-UHFFFAOYSA-N;142.2;1.74;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_Na";;;;;;;0.87;;-2.22;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM403570;MM403570;Cn1c(=N)[nH]c(=NN)n1C;KSUUMRAVJMZKIO-UHFFFAOYSA-N;142.17;-2.05;;;;;DOPC;MDCG;27;1;"MARTINI bead: SP3_SP5";;;;;;;-3.08;;-9.86;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM403571;MM403571;C=COCOC(C#N)OC;NZQIZCUABJPKJF-UHFFFAOYSA-N;143.14;0.62;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_P1";;;;;;;0.04;;-2.54;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM403572;MM403572;Cn1c(=N)[nH]c(=NO)n1C;VYHUNAGCJBAMHI-UHFFFAOYSA-N;143.15;-1.54;;;;;DOPC;MDCG;27;1;"MARTINI bead: SP3_SP5";;;;;;;-3.08;;-9.83;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM403573;MM403573;C=CC(OC)OCON=C;FYQJUUWACBLBTB-UHFFFAOYSA-N;145.16;0.75;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_N0";;;;;;;0.34;;-1.53;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM403574;MM403574;CN=c1[nH]c(=O)n(C)n1C;GLQXNOOYUMSBBV-UHFFFAOYSA-N;142.16;-1.42;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP3_SP2";;;;;;;-2.2;;-5.19;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM403575;MM403575;CCN(C=N)CCCC=O;CQRGYVDXXUJQGM-UHFFFAOYSA-N;142.2;0.89;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_Na";;;;;;;0.87;;-6.21;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM403576;MM403576;CN=c1[nH]c(=N)n(N)n1C;HCTNQIWEQPSXQD-UHFFFAOYSA-N;142.17;-2.12;;;;;DOPC;MDCG;27;1;"MARTINI bead: SP3_SP3";;;;;;;-3.07;;-8.78;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM403577;MM403577;CCN(C=N)CCNC=N;PIRPGJRWTKMUNI-UHFFFAOYSA-N;142.21;0.11;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_P3";;;;;;;-1.1;;-8.01;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM403578;MM403578;Cn1c(=NN)[nH]c(=N)n1N;SRXBOUSEVLAKTB-UHFFFAOYSA-N;143.15;-2.88;;;;;DOPC;MDCG;27;1;"MARTINI bead: SP3_SP5";;;;;;;-3.08;;-9.62;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM403579;MM403579;CCN(C=N)CCNC=O;WGZPFUNMVQOHGD-UHFFFAOYSA-N;143.19;-0.34;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_P3";;;;;;;-1.1;;-7.76;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM403580;MM403580;Cn1c(=NO)[nH]c(=N)n1N;ZLNFBHPIVFJNIX-UHFFFAOYSA-N;144.14;-2.36;;;;;DOPC;MDCG;27;1;"MARTINI bead: SP3_SP5";;;;;;;-3.08;;-8.95;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM403581;MM403581;C=NNCCN(C=N)CC;ZXGXQFZVZKRDKZ-UHFFFAOYSA-N;142.21;0.12;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_P2";;;;;;;-0.24;;-7.11;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM403582;MM403582;CN=c1[nH]c(=N)n(O)n1C;RJQBCUDYSAPZMO-UHFFFAOYSA-N;143.15;-1.6;;;;;DOPC;MDCG;27;1;"MARTINI bead: SP3_SP3";;;;;;;-3.07;;-7.57;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM403583;MM403583;C=COCCN(C=N)CC;KHZRGERGEWBPKJ-UHFFFAOYSA-N;142.2;1.08;;;;;DOPC;MDCG;27;1;"MARTINI bead: P2_C5";;;;;;;0.54;;-4.83;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM403584;MM403584;CN=c1[nH]c(=N)n(C)n1N;HRUSKLIPKLMAHK-UHFFFAOYSA-N;142.17;-2.12;;;;;DOPC;MDCG;27;1;"MARTINI bead: SP3_SP3";;;;;;;-3.07;;-8.73;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM403585;MM403585;CCN(C=N)CCOC=O;GMFVHDHZFLQYQD-UHFFFAOYSA-N;144.17;0.09;;;;;DOPC;MDCG;27;1;"MARTINI bead: P2_Na";;;;;;;-0.24;;-6.96;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM403586;MM403586;Cn1c(=N)[nH]c(=NN)n1N;CVJHDJDZBISSMR-UHFFFAOYSA-N;143.15;-2.88;;;;;DOPC;MDCG;27;1;"MARTINI bead: SP3_SP5";;;;;;;-3.08;;-9.42;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM403587;MM403587;C=NOCCN(C=N)CC;IPOVLCYURRWKKW-UHFFFAOYSA-N;143.19;0.55;;;;;DOPC;MDCG;27;1;"MARTINI bead: Na_P2";;;;;;;-0.24;;-6.92;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM403588;MM403588;Cn1c(=N)[nH]c(=NO)n1N;RUZWAALGXACWMR-UHFFFAOYSA-N;144.14;-2.36;;;;;DOPC;MDCG;27;1;"MARTINI bead: SP3_SP5";;;;;;;-3.08;;-8.8;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM403589;MM403589;C=CCCCN(CC)N=C;ZYZHQYGIXYOTNS-UHFFFAOYSA-N;140.23;1.89;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_C3";;;;;;;1.74;;0.29;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM403590;MM403590;CN=c1[nH]c(=N)n(N)n1N;UJHPBLSNBCFMLV-UHFFFAOYSA-N;143.15;-2.94;;;;;DOPC;MDCG;27;1;"MARTINI bead: SP3_SP3";;;;;;;-3.07;;-8.31;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM403591;MM403591;C=CCON=CC(F)CF;LNRYWSIQPBJSRK-UHFFFAOYSA-N;149.14;1.48;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_C5";;;;;;;1.64;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM403592;MM403592;N=c1[nH]c(=NN)n(N)n1N;VYYSACBYCGASBP-UHFFFAOYSA-N;144.14;-3.7;;;;;DOPC;MDCG;27;1;"MARTINI bead: SP5_SP3";;;;;;;-3.08;;-9.17;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM403593;MM403593;C=NN(CC)CCCC#N;BVUPMTHOBQGNKS-UHFFFAOYSA-N;139.2;1.23;;;;;DOPC;MDCG;27;0;"MARTINI bead: N0_P1";;;;;;;0.34;;-1.53;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM403594;MM403594;CN=c1[nH]c(=N)n(C)n1O;XYBHUGLTADZHHW-UHFFFAOYSA-N;143.15;-1.6;;;;;DOPC;MDCG;27;1;"MARTINI bead: SP3_SP3";;;;;;;-3.07;;-7.56;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM403595;MM403595;C=COCCN(CC)N=C;LYQGBLDWZKRWDJ-UHFFFAOYSA-N;142.2;1.08;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_P1";;;;;;;0.81;;-0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM403596;MM403596;CN=c1[nH]c(=N)n(N)n1O;YIHXVVOTQFZFEU-UHFFFAOYSA-N;144.14;-2.42;;;;;DOPC;MDCG;27;1;"MARTINI bead: SP3_SP3";;;;;;;-3.07;;-7.21;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM403597;MM403597;CNN(C=N)CCCC=O;YZBMWYDDSQEQLH-UHFFFAOYSA-N;143.19;0.01;;;;;DOPC;MDCG;27;1;"MARTINI bead: P4_Na";;;;;;;-1.19;;-7.2;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM403598;MM403598;Cn1[nH]c(F)c(O)c1=NO;OLDQDSGJMGOCGS-UHFFFAOYSA-N;147.11;-0.51;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNda_SP2";;;;;;;-0.24;;-7.6;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM403599;MM403599;CC#CCC(C)C1(O)CC1;SFRACPHVPIQETQ-UHFFFAOYSA-N;138.21;1.56;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4_SNda";;;;;;;2.2;;0.49;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM403600;MM403600;C=CC#CC(N)=CC(=O)O;YVCQYJMJNMJWCG-UHFFFAOYSA-N;137.14;0.1;;;;;DOPC;MDCG;27;0;"MARTINI bead: N0_P1";;;;;;;0.34;;-5.89;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM403601;MM403601;CNN(C=N)CCNC=N;RGCWEZBZLKGLOX-UHFFFAOYSA-N;143.19;-0.77;;;;;DOPC;MDCG;27;1;"MARTINI bead: P4_P3";;;;;;;-3.15;;-10.16;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM403602;MM403602;C=CC(C)(C)NN=CC=O;DTMIRRGXPYJZEY-UHFFFAOYSA-N;140.19;0.73;;;;;DOPC;MDCG;27;0;"MARTINI bead: C2_P1";;;;;;;2;;0.29;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM403603;MM403603;CNN(C=O)CCNC=N;WAVUUPOMMXHAKQ-UHFFFAOYSA-N;144.18;-1.22;;;;;DOPC;MDCG;27;1;"MARTINI bead: P2_P3";;;;;;;-2.2;;-8.99;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM403604;MM403604;C=CC#CCC(C)(O)CC;IARNHTYCRULHPM-UHFFFAOYSA-N;138.21;1.73;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda_C4";;;;;;;2.2;;0.49;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM403605;MM403605;C=NNCCN(C=N)NC;ANCHXTBOFZYMAG-UHFFFAOYSA-N;143.19;-0.76;;;;;DOPC;MDCG;27;1;"MARTINI bead: P4_Nd";;;;;;;-1.19;;-7.05;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM403606;MM403606;C=CCC(=C)C(C)(C)CO;IMQIOIIHTOGYFU-UHFFFAOYSA-N;140.23;2.14;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda_C2";;;;;;;2.83;;0.57;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM403607;MM403607;C=NNCCN(C=O)NC;CCBPGIYHOVUEDM-UHFFFAOYSA-N;144.18;-1.22;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_P1";;;;;;;-1.06;;-3.82;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM403608;MM403608;CN=c1oc(=O)n(N)n1C;CTDAACQWPHBJIW-UHFFFAOYSA-N;144.13;-1.98;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP2_SP3";;;;;;;-2.2;;-5.19;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM403609;MM403609;C=COCCN(C=N)NC;PENYZMAJLWGWPA-UHFFFAOYSA-N;143.19;0.19;;;;;DOPC;MDCG;27;1;"MARTINI bead: P4_Na";;;;;;;-1.19;;-6.71;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM403610;MM403610;C=NN=C(C)NC(=C)C=O;WFVYVLRNXNMSFR-UHFFFAOYSA-N;139.16;0.32;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nd_Na";;;;;;;0.87;;-1.88;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM403611;MM403611;C=COCCN(C=O)NC;GRXSVNKHWSOOQF-UHFFFAOYSA-N;144.17;-0.26;;;;;DOPC;MDCG;27;0;"MARTINI bead: P3_Na";;;;;;;-1.1;;-4.2;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM403612;MM403612;C=CC(F)C(=O)NOC;XOMQQFANFUSEDW-UHFFFAOYSA-N;133.12;0.19;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_N0";;;;;;;0.06;;-6.5;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM403613;MM403613;C=NOCCN(C=N)NC;CTKYOJIHIVVVRF-UHFFFAOYSA-N;144.18;-0.34;;;;;DOPC;MDCG;27;1;"MARTINI bead: P4_P1";;;;;;;-2.01;;-7.05;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM403614;MM403614;CONC(=O)C(C)(O)C=O;FGBQXBSESDLMAA-UHFFFAOYSA-N;147.13;-1.39;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_P1";;;;;;;-1.06;;-8.12;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM403615;MM403615;CON(C=O)CCCC=O;OESHSGYMWVWZRU-UHFFFAOYSA-N;145.16;-0.01;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_Na";;;;;;;-0.24;;-3.24;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM403616;MM403616;CC#CC(O)C(=O)NOC;AOPMJXSOUUVJOL-UHFFFAOYSA-N;143.14;-0.95;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_Nda";;;;;;;-0.24;;-7.61;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM403617;MM403617;CON(C=O)CCOC=O;UWXGJHUYJSRYDH-UHFFFAOYSA-N;147.13;-0.82;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_P1";;;;;;;-1.06;;-3.82;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM403618;MM403618;CN=c1oc(=O)n(C)n1N;SMSNYMTUWBFCMT-UHFFFAOYSA-N;144.13;-1.98;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP2_SP3";;;;;;;-2.2;;-5.19;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM403619;MM403619;CCN(C=N)OCCC=O;ULLHLPMZRXQVKB-UHFFFAOYSA-N;144.17;0.44;;;;;DOPC;MDCG;27;1;"MARTINI bead: P2_Na";;;;;;;-0.24;;-4.4;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM403620;MM403620;CNN=COC(C)=NNC;BLJPRODCYLYMFL-UHFFFAOYSA-N;144.18;-0.28;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_Nd";;;;;;;-0.24;;-3.16;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM403621;MM403621;CCN(C=O)OCCC=O;ZTEWFMDOTNZVEQ-UHFFFAOYSA-N;145.16;-0.01;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_Na";;;;;;;-0.24;;-3.24;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM403622;MM403622;CN=c1oc(=N)n(N)n1N;FUBVCIIJDSZGGZ-UHFFFAOYSA-N;144.14;-2.68;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP2_SP3";;;;;;;-2.2;;-5.19;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM403623;MM403623;C=COCON(C=O)CC;CPHIAZIJBGTFDK-UHFFFAOYSA-N;145.16;0.51;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_P1";;;;;;;0.81;;-0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM403624;MM403624;C#CCC1CC2CC2(O)C1;UAOFOVMIFYAHIF-UHFFFAOYSA-N;136.19;1.17;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNda_SC2";;;;;;;2.83;;0.57;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM403625;MM403625;CCN(C=O)OCOC=O;GZPNEORTGSVQBQ-UHFFFAOYSA-N;147.13;-0.47;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_P3";;;;;;;-0.33;;-2.01;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM403626;MM403626;N=c1oc(=NO)n(N)n1N;OKZKFZNWFHKNHN-UHFFFAOYSA-N;146.11;-2.92;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP3_SP3";;;;;;;-3.07;;-6.15;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM403627;MM403627;C#CCCCC(C=C)CC;FLDFITQDTFLALH-UHFFFAOYSA-N;136.24;3;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1_C3";;;;;;;4.61;;0.31;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM403628;MM403628;CN=c1oc(=O)n(N)n1N;MFPPMHGUDDXXFI-UHFFFAOYSA-N;145.12;-2.8;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP2_SP3";;;;;;;-2.2;;-5.19;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM403629;MM403629;C#CCCCC(C#N)CC;HJKAIKQTIRBNAD-UHFFFAOYSA-N;135.21;2.34;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_C5";;;;;;;2.41;;0.64;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM403630;MM403630;C=C1C(C)=CC2(O)C(C)C12;NYWBPNRAGFJUDU-UHFFFAOYSA-N;136.19;1.5;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC3_SNda";;;;;;;2.57;;0.44;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM403631;MM403631;C#CCCCC(C=C)CN;NWOSWAPZBBTDPS-UHFFFAOYSA-N;137.23;1.55;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_C3";;;;;;;2.57;;-1.49;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM403632;MM403632;C=CC=CC(C)(CC)CO;LWOQBZKQFLBZKA-UHFFFAOYSA-N;140.23;2.14;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_C4";;;;;;;2.97;;0.45;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM403633;MM403633;CNN=C(C=O)C(C)=CN;APYUFSKQLQPMAW-UHFFFAOYSA-N;141.17;-0.38;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda_P2";;;;;;;-0.24;;-3.31;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM403634;MM403634;O=C(O)COCC(F)(F)F;ICSOIMDWVVEKBW-UHFFFAOYSA-N;158.08;0.65;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_N0";;;;;;;0.34;;-5.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM403635;MM403635;C#CCCCC(C#N)CO;GSPGZNCMSKQSIN-UHFFFAOYSA-N;137.18;0.92;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_C5";;;;;;;0.54;;-1.09;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM403636;MM403636;Oc1cc(CF)no1;ABMIWNIKQSIRDX-UHFFFAOYSA-N;117.08;0.85;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNda_SNa";;;;;;;0.87;;-6.38;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM403637;MM403637;C#CCCCC(C=C)CF;YLSJCGSJXYHBKF-UHFFFAOYSA-N;140.2;2.56;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4_C5";;;;;;;2.97;;0.45;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM403638;MM403638;C#CC(F)C(CO)=NO;YZGVLFZPSMSWCC-UHFFFAOYSA-N;131.11;-0.22;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_Na";;;;;;;-0.24;;-7.56;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM403639;MM403639;C#CCCCC(C=C)NC;ANHGMLXKXQJKDY-UHFFFAOYSA-N;137.23;1.56;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_C5";;;;;;;1.64;;-2.43;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM403640;MM403640;C=CC1(C#N)CC(C=O)N1;NJOBFEYANBDFHP-UHFFFAOYSA-N;136.15;;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP1_SP2";;;;;;;-1.06;;-3.82;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM403641;MM403641;C#CCCCC(C=O)NC;MNTSSAUTEZDLBK-UHFFFAOYSA-N;139.2;0.58;;;;;DOPC;MDCG;27;1;"MARTINI bead: P2_C5";;;;;;;0.54;;-2.35;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM403642;MM403642;C=CC(=O)CC1(C=O)CN1;VWFPYNCASNJSJO-UHFFFAOYSA-N;139.15;-0.33;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_SP2";;;;;;;-0.24;;-3.24;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM403643;MM403643;C#CCCCC(C=C)OC;NSASNTUAHCVUJD-UHFFFAOYSA-N;138.21;1.99;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_C5";;;;;;;2.41;;0.64;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM403644;MM403644;CCC(C)(CO)CC1CC1;PHLYEAWTCUIKFB-UHFFFAOYSA-N;142.24;2.2;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_SC5";;;;;;;2.41;;0.64;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM403645;MM403645;C#CCCCC(C#N)OC;LYXYOWWYKFAKBP-UHFFFAOYSA-N;137.18;1.33;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_C5";;;;;;;1.64;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM403646;MM403646;C=C(CNN=COC)OC;ISWCKCZYPFZRIN-UHFFFAOYSA-N;144.17;0.33;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_Na";;;;;;;0.04;;-2.54;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM403647;MM403647;C#CCNCC(C=C)CC;YNMDXYGMDXLZHN-UHFFFAOYSA-N;137.23;1.42;;;;;DOPC;MDCG;27;1;"MARTINI bead: C1_P2";;;;;;;1.8;;-0.93;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM403648;MM403648;CCOC=NN=C(C)NN;DHCXUTHGLZKMSN-UHFFFAOYSA-N;144.18;-0.15;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4_P3";;;;;;;0.23;;-1.03;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM403649;MM403649;C#CCNCC(C=O)CC;XTGHYXBUDXIHRU-UHFFFAOYSA-N;139.2;0.43;;;;;DOPC;MDCG;27;1;"MARTINI bead: C5_P2";;;;;;;0.54;;-2.5;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM403650;MM403650;C#CCNCC(C=C)CN;WTBGEROYUUEDQN-UHFFFAOYSA-N;138.21;-0.03;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_P2";;;;;;;-0.24;;-5.65;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM403651;MM403651;CCCNN=CC(=O)OC;CHNYQCGWJGHJPH-UHFFFAOYSA-N;144.17;0.14;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nd_Na";;;;;;;0.87;;-1.88;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM403652;MM403652;C#CCNCC(C=C)CO;HWZNXSQCUWZTCD-UHFFFAOYSA-N;139.2;;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nda_P2";;;;;;;-0.24;;-4.84;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM403653;MM403653;C=CC(C#CC)C(O)CC;KNBPWUDIJPNXSM-UHFFFAOYSA-N;138.21;1.58;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda_C3";;;;;;;2.57;;0.44;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM403654;MM403654;C#CCNCC(C=C)CF;YCZUAROBTRXKDY-UHFFFAOYSA-N;141.19;0.98;;;;;DOPC;MDCG;27;1;"MARTINI bead: C5_P2";;;;;;;0.54;;-2.76;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM403655;MM403655;COC(N=CNN)=NC=N;WQLIHYDOQMGRGV-UHFFFAOYSA-N;143.15;-0.91;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda_P3";;;;;;;-1.1;;-3.97;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM403656;MM403656;C#CCNCC(C=C)NC;NJMBBLQELMLKLO-UHFFFAOYSA-N;138.21;-0.02;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_P2";;;;;;;-0.24;;-4.82;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM403657;MM403657;CCC#CC(C=O)=NNC;DOQWNVOFAMZKNI-UHFFFAOYSA-N;138.17;0.17;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_P1";;;;;;;0.81;;-0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM403658;MM403658;C#CCNCC(C#N)NC;AXOUPEIMUWBWMU-UHFFFAOYSA-N;137.19;-0.68;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_P2";;;;;;;-1.34;;-4.31;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM403659;MM403659;O=c1[nH]nc[nH]oc(=O)[nH]1;KLZMBALSCDDBHF-UHFFFAOYSA-N;144.09;-1.5;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP4_SP3";;;;;;;-3.15;;-10.23;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM403660;MM403660;C#CCNCC(C#N)OC;OBQLDLGJWSJLNI-UHFFFAOYSA-N;138.17;-0.25;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_P2";;;;;;;-0.24;;-3.24;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM403661;MM403661;C=CC#Cc1cc(O)on1;BZDBVDXOFULVCY-UHFFFAOYSA-N;135.12;0.92;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNda_SC5";;;;;;;1.64;;-4.26;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM403662;MM403662;C#CCOCC(C=C)CC;GZTRUWJPEATBNY-UHFFFAOYSA-N;138.21;1.85;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1_Na";;;;;;;2.91;;0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM403663;MM403663;CONC(=O)C1(C#N)CN1;DWAMOTPIKCTBOF-UHFFFAOYSA-N;141.13;-1.47;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_SP2";;;;;;;-1.34;;-8.62;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM403664;MM403664;C#CCOCC(C=O)CC;SBADODRNVPPQDO-UHFFFAOYSA-N;140.18;0.86;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_Na";;;;;;;1.64;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM403665;MM403665;C=C1C(C)CC(=CC)C1C;AEWUOFMIMASHOR-UHFFFAOYSA-N;136.24;3.16;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC1_SC2";;;;;;;4.87;;0.53;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM403666;MM403666;C#CCOCC(C#N)CC;CBWLXPPZPHMNJT-UHFFFAOYSA-N;137.18;1.19;;;;;DOPC;MDCG;27;0;"MARTINI bead: N0_Na";;;;;;;1.17;;-1.18;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM403667;MM403667;C=C1C(N)CC(=CC)C1C;VRLKDZFFBMVZLG-UHFFFAOYSA-N;137.23;1.86;;;;;DOPC;MDCG;27;1;"MARTINI bead: SC1_SC5";;;;;;;3.68;;0.59;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM403668;MM403668;C#CCOCC(C#N)CO;SAOIGORKQYCITJ-UHFFFAOYSA-N;139.15;-0.23;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_Na";;;;;;;-0.24;;-3.24;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM403669;MM403669;C=NNC=C(C#CC)C=O;ZZRNRNOMTYAILQ-UHFFFAOYSA-N;136.15;0.3;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_P1";;;;;;;0.81;;-0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM403670;MM403670;C#CCOCC(C=C)CF;KPYAMKLCEOSKMP-UHFFFAOYSA-N;142.17;1.41;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_Na";;;;;;;1.64;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM403671;MM403671;CC=C1CC(C)C(=O)C1C;JIXSUXKDTJLNOS-UHFFFAOYSA-N;138.21;2.18;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC1_SC5";;;;;;;3.68;;0.46;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM403672;MM403672;C#CCOCC(C#N)NC;GFKBXMXZIJFTES-UHFFFAOYSA-N;138.17;-0.25;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_Na";;;;;;;-0.24;;-3.24;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM403673;MM403673;C=C1C(N)CC(=CC)C1N;ZPNJNTOIEHINNH-UHFFFAOYSA-N;138.21;0.55;;;;;DOPC;MDCG;27;1;"MARTINI bead: SC5_SNd";;;;;;;1.64;;-2.13;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM403674;MM403674;C#CCOCC(C=C)OC;FYWJAARWOXUQMV-UHFFFAOYSA-N;140.18;0.84;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_Na";;;;;;;0.87;;-2.22;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM403675;MM403675;CN=c1nconc1O;NVQVIRBOCXXARF-UHFFFAOYSA-N;127.1;-0.69;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP3_SP3";;;;;;;-3.07;;-10.05;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM403676;MM403676;C#CCCNC(C=C)CC;WMSJSWAOTUGWPA-UHFFFAOYSA-N;137.23;1.56;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_C5";;;;;;;1.64;;-2.13;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM403677;MM403677;Cn1c(=NN)[nH]n(N)c1=O;GHYUGXHFBQCPOZ-UHFFFAOYSA-N;144.14;-3;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP3_SP5";;;;;;;-3.08;;-7.6;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM403678;MM403678;C#CCCNC(C=C)CN;GXNMEACWEWBLGR-UHFFFAOYSA-N;138.21;0.11;;;;;DOPC;MDCG;27;1;"MARTINI bead: P3_C5";;;;;;;-0.33;;-4.11;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM403679;MM403679;N=c1ncc(O)no1;VFNPPMPFZCTRBP-UHFFFAOYSA-N;113.08;-0.75;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP3_SP3";;;;;;;-3.07;;-10.05;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM403680;MM403680;C=NN=CC(=NNC)OC;VBEUOPFQFLDSQC-UHFFFAOYSA-N;142.16;-0.15;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_N0";;;;;;;0.34;;-1.53;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM403681;MM403681;O=C(O)C(=O)C(CF)CF;HDZVDQAZRIUHFT-UHFFFAOYSA-N;152.1;0.2;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_Na";;;;;;;-0.24;;-7.57;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM403682;MM403682;C#CCCOC(C=C)CC;ZFONPYVBHLBTQZ-UHFFFAOYSA-N;138.21;1.99;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1_Na";;;;;;;2.91;;0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM403683;MM403683;O=C(O)C(=O)CC(F)CF;OWYLJJAMSNQDEZ-UHFFFAOYSA-N;152.1;0.34;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_Na";;;;;;;-0.24;;-7.57;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM403684;MM403684;C#CCCOC(C=O)CC;YTDXZMVQBYMKQU-UHFFFAOYSA-N;140.18;1;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_C5";;;;;;;0.81;;-0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM403685;MM403685;C=C(C)NC(=O)C(=O)O;JTRYGGLOWARFKD-UHFFFAOYSA-N;129.12;-0.28;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4_P3";;;;;;;0.23;;-5.23;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM403686;MM403686;C#CCCOC(C#N)CC;FBJCJIBASCYQGO-UHFFFAOYSA-N;137.18;1.33;;;;;DOPC;MDCG;27;0;"MARTINI bead: N0_Na";;;;;;;1.17;;-1.18;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM403687;MM403687;O=c1ncnnc(=O)[nH]1;GWFDXWDSMSFAAC-UHFFFAOYSA-N;126.08;-2.08;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP4_SP4";;;;;;;-3.24;;-11;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM403688;MM403688;C#CCCOC(C=C)CO;RSFGELOSVIBTAG-UHFFFAOYSA-N;140.18;0.57;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda_Na";;;;;;;0.87;;-1.99;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM403689;MM403689;CC#Cc1oc(=O)oc1O;JDQIBAIBKLBJKS-UHFFFAOYSA-N;140.09;0.31;;;;;DOPC;MDCG;27;0;"MARTINI bead: N0_SP2";;;;;;;0.06;;-6.51;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM403690;MM403690;C#CCCOC(C#N)CO;QRBGAJFYRUKZQO-UHFFFAOYSA-N;139.15;-0.09;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_Na";;;;;;;-0.24;;-3.24;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM403691;MM403691;CCNC(=O)C(=O)O;DXRIITVFSTUKPW-UHFFFAOYSA-N;117.1;-0.79;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_P3";;;;;;;-0.33;;-5.99;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM403692;MM403692;C#CCCOC(C=C)OC;MHDLAUORWBVDNQ-UHFFFAOYSA-N;140.18;1.18;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_Na";;;;;;;0.87;;-2.22;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM403693;MM403693;C#CC(O)C(=O)NOCC;DCIXFMKLLOZICD-UHFFFAOYSA-N;143.14;-0.95;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_P3";;;;;;;-0.33;;-5.99;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM403694;MM403694;C#CCCCN(C=N)CC;ZJBVWYCLLOZSHA-UHFFFAOYSA-N;138.21;1.33;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_C5";;;;;;;1.64;;-4.23;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM403695;MM403695;O=CC1=CC(=CO)N=N1;NGMLFBRBRSLQLW-UHFFFAOYSA-N;124.1;0.93;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNda_SNa";;;;;;;0.87;;-6.39;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM403696;MM403696;C#CCCCN(C=O)CC;VOOCFCZUIQZPNA-UHFFFAOYSA-N;139.2;0.88;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_C5";;;;;;;0.81;;-0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM403697;MM403697;Cc1nnc(=NN)oc1O;QGLDXCCTLOEXQK-UHFFFAOYSA-N;142.12;-1.14;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP3_SP3";;;;;;;-3.07;;-10.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM403698;MM403698;C#CCCCN(CC)N=C;KXZFOEWTJRLFFK-UHFFFAOYSA-N;138.21;1.34;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_C5";;;;;;;0.81;;-0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM403699;MM403699;C#CC(=O)NCC(=O)O;NIEHWHFNJMQUMR-UHFFFAOYSA-N;127.1;-1.18;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_P2";;;;;;;-1.06;;-8.13;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM403700;MM403700;C#CCCCN(C=N)NC;OAWJERYKYNZDQI-UHFFFAOYSA-N;139.2;0.44;;;;;DOPC;MDCG;27;1;"MARTINI bead: P4_C5";;;;;;;-0.41;;-5.22;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM403701;MM403701;COC(=CC(=O)O)C(N)=O;XDPFQRBGIUJQCE-UHFFFAOYSA-N;145.11;-0.91;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_P1";;;;;;;-0.79;;-7.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM403702;MM403702;C#CCCCN(C=O)NC;DXQYFPFATVQINC-UHFFFAOYSA-N;140.19;-0.01;;;;;DOPC;MDCG;27;0;"MARTINI bead: P3_C5";;;;;;;-0.33;;-2.01;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM403703;MM403703;Cc1nnc(O)o1;NNXROHRFMWHXNH-UHFFFAOYSA-N;100.08;0.08;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP1_SP1";;;;;;;-0.79;;-7.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM403704;MM403704;C#CCCCN(C=N)OC;LSDMJHBUOJNPNG-UHFFFAOYSA-N;140.19;0.87;;;;;DOPC;MDCG;27;1;"MARTINI bead: P2_C5";;;;;;;0.54;;-2.18;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM403705;MM403705;C=NN=c1ncc(O)no1;BCHSWNCRSCGCII-UHFFFAOYSA-N;140.1;-0.71;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP3_SP2";;;;;;;-2.2;;-9.26;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM403706;MM403706;C#CCCNN(C=N)CC;XTIWDVWDMOPTBV-UHFFFAOYSA-N;139.2;0.44;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_P2";;;;;;;-0.24;;-5.78;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM403707;MM403707;C#CC(C#N)C(CF)=NO;VJDISSCSOLPDTH-UHFFFAOYSA-N;140.12;0.56;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_N0";;;;;;;0.34;;-5.91;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM403708;MM403708;C#CCCON(C=N)CC;UIYZKYCKMCGVNI-UHFFFAOYSA-N;140.19;0.87;;;;;DOPC;MDCG;27;1;"MARTINI bead: P2_C5";;;;;;;0.54;;-2.23;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM403709;MM403709;NC(=NCC(=O)O)C(=O)O;KYLKZKIMALTXOX-UHFFFAOYSA-N;146.1;-1.49;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_P1";;;;;;;-1.06;;-8.13;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM403710;MM403710;C#CCCON(C=O)CC;CCBMABVXHYBSAI-UHFFFAOYSA-N;141.17;0.42;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_C5";;;;;;;0.54;;-1.09;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM403711;MM403711;COC(=O)C(=NN)N(C)N;UNTXBDVXKVOHLJ-UHFFFAOYSA-N;146.15;-1.76;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_P2";;;;;;;-1.06;;-3.82;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM403712;MM403712;C#CC(CC)CCCCC;AJWPXTWKOCIRGY-UHFFFAOYSA-N;138.25;3.23;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1_C2";;;;;;;4.87;;0.53;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM403713;MM403713;C=CC1=CC(C)C(O)C1=C;OUPSIGGGPLQKSB-UHFFFAOYSA-N;136.19;1.67;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC3_SNda";;;;;;;2.57;;0.44;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM403714;MM403714;C#CC(CC)CCCCN;KHBWSKPLQNXQCF-UHFFFAOYSA-N;139.24;1.77;;;;;DOPC;MDCG;27;1;"MARTINI bead: C2_Nd";;;;;;;2.83;;-0.75;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM403715;MM403715;Cn1c(=NO)on(O)c1=N;AGIRSLXEYQTZAQ-UHFFFAOYSA-N;146.11;-1.57;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP3_SP2";;;;;;;-2.2;;-5.19;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM403716;MM403716;CNN=C(C#CC#N)OC;YKIKMARQHYWEEB-UHFFFAOYSA-N;137.14;-0.31;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_N0";;;;;;;0.34;;-1.53;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM403717;MM403717;CN=c1on(C)c(=O)n1C;DYTHRZGPQUTRCD-UHFFFAOYSA-N;143.15;-1.15;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP2_SP1";;;;;;;-1.06;;-3.82;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM403718;MM403718;C#CC(CN)CCCCC;OHLVTNOOISHCHE-UHFFFAOYSA-N;139.24;1.77;;;;;DOPC;MDCG;27;1;"MARTINI bead: C1_Nd";;;;;;;2.91;;-0.27;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM403719;MM403719;Cn1oc(=NN)n(C)c1=O;VCWCRBUVLHCQPW-UHFFFAOYSA-N;144.13;-1.91;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP2_SP2";;;;;;;-1.34;;-4.31;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM403720;MM403720;C#CC(CN)CCCCN;NWSCSUBHFIATPB-UHFFFAOYSA-N;140.23;0.32;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1_N0";;;;;;;0.34;;-4.48;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM403721;MM403721;CN=c1on(N)c(=O)n1C;AILNIVQYVLSEGV-UHFFFAOYSA-N;144.13;-1.98;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP3_SP1";;;;;;;-1.93;;-4.72;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM403722;MM403722;CCCC(C=O)=NNCC;KFJVFYGGTRJTPM-UHFFFAOYSA-N;142.2;0.95;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_P1";;;;;;;0.81;;-0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM403723;MM403723;C#CCCNC(C#C)C#N;AXFSXSHZWBEVCG-UHFFFAOYSA-N;132.17;0.12;;;;;DOPC;MDCG;27;0;"MARTINI bead: N0_P2";;;;;;;0.06;;-2.21;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM403724;MM403724;C=CC(C=NOC)C(C)=O;NURTZHJLUJGEAG-UHFFFAOYSA-N;141.17;1.01;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_C5";;;;;;;0.54;;-1.09;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM403725;MM403725;N=CN(O)C(=NO)C(=O)O;PTESMGLNHLFTLD-UHFFFAOYSA-N;147.09;-0.84;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_P2";;;;;;;-1.34;;-8.63;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM403726;MM403726;C#CC(CF)CCCCF;KFAPTJZFWDCXIW-UHFFFAOYSA-N;146.18;2.35;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4_Na";;;;;;;2.2;;0.34;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM403727;MM403727;N=c1c(=O)n(O)[nH]n1O;GSTDNNRZNIJZOG-UHFFFAOYSA-N;132.08;-2.07;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP3_SP3";;;;;;;-3.07;;-10.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM403728;MM403728;C#CC(CF)CCCNC;FCBGSHNCAZDBHA-UHFFFAOYSA-N;143.21;1.2;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_Na";;;;;;;0.87;;-5.01;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM403729;MM403729;CC#CC(N)=CC(=O)O;FKGXAZATZSGRJB-UHFFFAOYSA-N;125.13;-0.06;;;;;DOPC;MDCG;27;0;"MARTINI bead: N0_P1";;;;;;;0.34;;-5.91;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM403730;MM403730;C#CC(CC)CCCOC;RNFGQLUPOXGALP-UHFFFAOYSA-N;140.23;2.07;;;;;DOPC;MDCG;27;0;"MARTINI bead: C2_Na";;;;;;;2.83;;0.35;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM403731;MM403731;CCC(C=O)OC=NOC;CQZWYDIJAILQNW-UHFFFAOYSA-N;145.16;0.57;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_P2";;;;;;;0.54;;-1.09;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM403732;MM403732;C#CC(CN)CCCOC;QNCHLVVEZGYYJT-UHFFFAOYSA-N;141.21;0.62;;;;;DOPC;MDCG;27;1;"MARTINI bead: Na_Nd";;;;;;;0.87;;-4.36;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM403733;MM403733;C=CC(CC)NN=CC=O;JBBSQBPPRFDFFE-UHFFFAOYSA-N;140.19;0.73;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1_P1";;;;;;;2.08;;0.48;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM403734;MM403734;COc1nc(=O)onc1N;WAWGPDXNPQDKAC-UHFFFAOYSA-N;143.1;-0.98;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP2_SP3";;;;;;;-2.2;;-5.19;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM403735;MM403735;CN=c1on(C)c(=O)n1N;NHLKJBKTUQPJOP-UHFFFAOYSA-N;144.13;-1.98;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP2_SP2";;;;;;;-1.34;;-4.31;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM403736;MM403736;C#CC(CC)CCNCC;HYNBUIFMUCMBPB-UHFFFAOYSA-N;139.24;1.65;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_C2";;;;;;;2.83;;-1.1;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM403737;MM403737;C=NN=c1onc(NC)o1;ALTMKYGRNDSIDB-UHFFFAOYSA-N;142.12;-0.17;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP2_P2";;;;;;;-1.34;;-4.31;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM403738;MM403738;C#CC(CC)CCOCC;SVNKJPXAJIBOKW-UHFFFAOYSA-N;140.23;2.07;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_C3";;;;;;;3.34;;0.48;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM403739;MM403739;CN=c1on(N)c(=O)n1N;IYJVLRIZCWWRRU-UHFFFAOYSA-N;145.12;-2.8;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP3_SP2";;;;;;;-2.2;;-5.19;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM403740;MM403740;C#CC(CN)CCOCC;KUTQFUZPKOQSGK-UHFFFAOYSA-N;141.21;0.62;;;;;DOPC;MDCG;27;1;"MARTINI bead: Na_Nd";;;;;;;0.87;;-4.36;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM403741;MM403741;Cn1oc(=O)c(=NN)n1C;ASESTMURIWQCLR-UHFFFAOYSA-N;144.13;-1.91;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP1_SP2";;;;;;;-1.06;;-3.82;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM403742;MM403742;C#CC(CO)CCOCC;WAEPAGAIMMBCCP-UHFFFAOYSA-N;142.2;0.65;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_Nda";;;;;;;0.87;;-1.99;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM403743;MM403743;C=CN(C)C(=O)C(=O)O;GIFWQSUWPBAVKQ-UHFFFAOYSA-N;129.12;-0.33;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nd_P2";;;;;;;-0.24;;-7.48;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM403744;MM403744;C#CC(CF)CCOCC;MHWQVCJMELQPAU-UHFFFAOYSA-N;144.19;1.63;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_Na";;;;;;;1.64;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM403745;MM403745;Cc1nnc(=O)[nH]c(=O)n1;WGDCFMFKMSMOAT-UHFFFAOYSA-N;140.1;-1.77;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP4_SP3";;;;;;;-3.15;;-10.23;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM403746;MM403746;C#CC(CCCCC)NC;RWSFSIDIXKPUDH-UHFFFAOYSA-N;139.24;1.79;;;;;DOPC;MDCG;27;1;"MARTINI bead: C1_P1";;;;;;;2.08;;-0.42;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM403747;MM403747;Cn1nc(O)c(F)nc1=O;JGKXJCBJOALJQT-UHFFFAOYSA-N;145.09;-0.98;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP2_SP1";;;;;;;-1.06;;-8.14;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM403748;MM403748;C#CC(CCCCN)NC;OTMWRELIZFHDOK-UHFFFAOYSA-N;140.23;0.34;;;;;DOPC;MDCG;27;1;"MARTINI bead: P2_Nd";;;;;;;-0.24;;-6;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM403749;MM403749;Cn1on(C)c(=NN)c1=O;RESJSTOIANHARO-UHFFFAOYSA-N;144.13;-1.91;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP2_SP2";;;;;;;-1.34;;-4.31;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM403750;MM403750;C#CC(CCCCF)NC;DJNKLZJORXZFMO-UHFFFAOYSA-N;143.21;1.35;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1_C4";;;;;;;1.37;;-1.94;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM403751;MM403751;Cn1on(N)c(=O)c1=NN;RTNPPIBCTOLGBG-UHFFFAOYSA-N;145.12;-2.73;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP3_SP2";;;;;;;-2.2;;-5.19;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM403752;MM403752;C#CC(CCOCC)NC;QXAOACLZKHYWKK-UHFFFAOYSA-N;141.21;0.63;;;;;DOPC;MDCG;27;1;"MARTINI bead: C5_P2";;;;;;;0.54;;-2.85;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM403753;MM403753;N#Cc1cnn(C=O)c1N;UHWUEJOCFWOEPK-UHFFFAOYSA-N;136.11;-0.62;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP1_SP2";;;;;;;-1.06;;-3.82;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM403754;MM403754;C#CC(CCCCC)OC;NPOFUVNMSPOPDK-UHFFFAOYSA-N;140.23;2.21;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1_Na";;;;;;;2.91;;0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM403755;MM403755;CCc1[nH]cc(CF)c1N;BGDRPVZLJLSESY-UHFFFAOYSA-N;142.18;1.63;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC5_SNda";;;;;;;1.64;;0.05;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM403756;MM403756;C#CC(CCCCN)OC;FQQBYPYVJKLPMO-UHFFFAOYSA-N;141.21;0.76;;;;;DOPC;MDCG;27;1;"MARTINI bead: Na_Nd";;;;;;;0.87;;-4.68;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM403757;MM403757;CC#Cc1[nH]cc(N)c1C;BETGXPBYBAVPMD-UHFFFAOYSA-N;134.18;1.28;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC5_SNd";;;;;;;1.64;;0.02;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM403758;MM403758;C#CC(CCCCF)OC;MHWQPBLCVAHCQL-UHFFFAOYSA-N;144.19;1.77;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_C4";;;;;;;2.2;;0.34;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM403759;MM403759;CCCN1CC1C(=O)C=O;RXJKMDKRZFQOHG-UHFFFAOYSA-N;141.17;-0.15;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNd_Na";;;;;;;0.87;;-1.88;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM403760;MM403760;C#CC(CCCOC)OC;JCWXFYAXNKLODG-UHFFFAOYSA-N;142.2;1.06;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_Na";;;;;;;0.87;;-2.22;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM403761;MM403761;N#CC(=O)NOCOC=O;HJVFXOAACVERKT-UHFFFAOYSA-N;144.09;-1.31;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_P2";;;;;;;-1.06;;-8.14;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM403762;MM403762;C=COCONC(=O)C#N;ZFVODBMROWRDLK-UHFFFAOYSA-N;142.11;-0.32;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_P2";;;;;;;-0.24;;-7.58;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM403763;MM403763;C#CC(CCNCC)OC;TVWCFUOJCHKKOZ-UHFFFAOYSA-N;141.21;0.63;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_Na";;;;;;;0.87;;-4.8;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM403764;MM403764;C#CC(=O)COCC(=O)O;DJRIRYSJUXSZCL-UHFFFAOYSA-N;142.11;-0.71;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_P1";;;;;;;-0.79;;-7.53;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM403765;MM403765;C#CC(CCOCC)OC;QAEQRCZWSVNJTC-UHFFFAOYSA-N;142.2;1.06;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_Na";;;;;;;1.64;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM403766;MM403766;COC(C(=O)O)C(=O)NO;PCXDJZYXDHXNFN-UHFFFAOYSA-N;149.1;-1.41;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_P4";;;;;;;-2.01;;-8.92;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM403767;MM403767;C#CC(CC)CNCCC;QNFUCYFAURRNFP-UHFFFAOYSA-N;139.24;1.65;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_C3";;;;;;;2.57;;-1.67;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM403768;MM403768;C#CC(OC)C(=O)NOC;DZXSSDSONXUURF-UHFFFAOYSA-N;143.14;-0.69;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_Na";;;;;;;-0.24;;-7.58;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM403769;MM403769;C#CC(CN)CNCCN;PGMLCIUQSAKGEP-UHFFFAOYSA-N;141.22;-1.26;;;;;DOPC;MDCG;27;1;"MARTINI bead: P3_Nd";;;;;;;-1.1;;-6.34;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM403770;MM403770;CON=C(C(N)=O)C(=O)O;UBAZRNCZWXRNET-UHFFFAOYSA-N;146.1;-1.44;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_P1";;;;;;;-1.06;;-8.14;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM403771;MM403771;C#CC(CN)CNCCO;XMADBGYUFYJSIM-UHFFFAOYSA-N;142.2;-1.22;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_P3";;;;;;;-1.1;;-6.24;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM403772;MM403772;O=C(O)C(F)=CC(F)CO;FCCMLZIPINYBMO-UHFFFAOYSA-N;152.1;0.25;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda_P1";;;;;;;0.04;;-7.1;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM403773;MM403773;C#CC(CO)CNCCN;BCWGGCDVAKHPMK-UHFFFAOYSA-N;142.2;-1.22;;;;;DOPC;MDCG;27;1;"MARTINI bead: P3_Nda";;;;;;;-1.1;;-6.16;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM403774;MM403774;O=c1cc2[nH]n(O)cc-2o1;IIBQVMRHPPOMIH-UHFFFAOYSA-N;140.1;0.11;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP1_SNa";;;;;;;0.04;;-6.93;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM403775;MM403775;C#CC(CF)CNCCN;UFNVYMDQZMOIAO-UHFFFAOYSA-N;144.19;-0.25;;;;;DOPC;MDCG;27;1;"MARTINI bead: P4_C5";;;;;;;-0.41;;-4.98;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM403776;MM403776;N#CC(=NO)C(O)CO;NUZGCQGFUICLCO-UHFFFAOYSA-N;130.1;-1.31;;;;;DOPC;MDCG;27;0;"MARTINI bead: P3_P2";;;;;;;-2.2;;-9.27;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM403777;MM403777;C#CC(CF)CNCCO;BKGXVGKXTPOQRI-UHFFFAOYSA-N;145.18;-0.21;;;;;DOPC;MDCG;27;1;"MARTINI bead: P2_Na";;;;;;;-0.24;;-5.11;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM403778;MM403778;C=C1CC(=CC)C(C)C1=C;PWVDNMCCJPSIJU-UHFFFAOYSA-N;134.22;3.08;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC1_SC3";;;;;;;4.61;;0.31;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM403779;MM403779;C#CC(CNCCN)NC;ONEXTNVHLONHKE-UHFFFAOYSA-N;141.22;-1.24;;;;;DOPC;MDCG;27;1;"MARTINI bead: P2_P3";;;;;;;-2.2;;-7.22;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM403780;MM403780;C=C1CC(=CF)C(C)C1=C;DHEGOFNEIFFWCS-UHFFFAOYSA-N;138.19;2.99;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC4_SC3";;;;;;;3.9;;0.47;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM403781;MM403781;C#CC(CNCCO)NC;QFAPQBMCKQOJTP-UHFFFAOYSA-N;142.2;-1.21;;;;;DOPC;MDCG;27;1;"MARTINI bead: P2_P2";;;;;;;-1.34;;-5.72;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM403782;MM403782;C=C1CC(=NN)C(C)C1=C;ZRBFWRBFRMSPTF-UHFFFAOYSA-N;136.2;1.45;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNd_SC3";;;;;;;2.57;;0.53;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM403783;MM403783;C#CC(CNCCC)OC;QWQWGKHMFQDSIB-UHFFFAOYSA-N;141.21;0.63;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_Na";;;;;;;0.87;;-3.95;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM403784;MM403784;C=C1CC(=NO)C(C)C1=C;UZKXNNDXUPNIBQ-UHFFFAOYSA-N;137.18;1.97;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNda_SC3";;;;;;;2.57;;0.44;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM403785;MM403785;C#CC(CNCCN)OC;YEDPPTPXGTUHKW-UHFFFAOYSA-N;142.2;-0.82;;;;;DOPC;MDCG;27;1;"MARTINI bead: Na_P3";;;;;;;-1.1;;-6.27;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM403786;MM403786;C=c1[nH]c(=NC)n(C)c1=C;WQMICAIJGDDJFH-UHFFFAOYSA-N;137.19;-1.3;;;;;DOPC;MDCG;27;1;"MARTINI bead: SP1_SP1";;;;;;;-0.79;;-6.94;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM403787;MM403787;C#CC(CNCCO)OC;MIXSQUCSIFSNSV-UHFFFAOYSA-N;143.19;-0.78;;;;;DOPC;MDCG;27;1;"MARTINI bead: Na_P3";;;;;;;-1.1;;-5.53;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM403788;MM403788;C=c1[nH]c(=NN)n(C)c1=C;QNSTXNBIKBBERL-UHFFFAOYSA-N;138.17;-2.05;;;;;DOPC;MDCG;27;1;"MARTINI bead: SP2_SP1";;;;;;;-1.06;;-6.15;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM403789;MM403789;C#CC(CC)COCCC;IXLJFHROLQQFOM-UHFFFAOYSA-N;140.23;2.07;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_C3";;;;;;;2.57;;0.45;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM403790;MM403790;C=c1[nH]c(=NC)n(N)c1=C;CNCFZZNNQULJRT-UHFFFAOYSA-N;138.17;-2.12;;;;;DOPC;MDCG;27;1;"MARTINI bead: SP1_SP1";;;;;;;-0.79;;-6.46;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM403791;MM403791;C#CC(CC)COCCO;AITRCTCMDXLFCH-UHFFFAOYSA-N;142.2;0.65;;;;;DOPC;MDCG;27;0;"MARTINI bead: C2_P3";;;;;;;0.86;;-0.3;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM403792;MM403792;C=c1[nH]c(=NN)n(N)c1=C;MDQIKKVQNBXNRM-UHFFFAOYSA-N;139.16;-2.88;;;;;DOPC;MDCG;27;1;"MARTINI bead: SP2_SP1";;;;;;;-1.06;;-5.67;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM403793;MM403793;C#CC(CN)COCCC;FBPMLZIBPVDLCM-UHFFFAOYSA-N;141.21;0.62;;;;;DOPC;MDCG;27;1;"MARTINI bead: Na_Nd";;;;;;;0.87;;-4.29;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM403794;MM403794;CC#CCCNN=CC=O;GFAKTAVUXCKCRM-UHFFFAOYSA-N;138.17;0.17;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4_P1";;;;;;;1.37;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM403795;MM403795;C#CC(CN)COCCO;SNZFSYVTGIILTA-UHFFFAOYSA-N;143.19;-0.8;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_P3";;;;;;;-1.1;;-6.31;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM403796;MM403796;C=c1[nH]c(=NC)n(O)c1=C;GBAOELYBHHXXOO-UHFFFAOYSA-N;139.16;-1.6;;;;;DOPC;MDCG;27;1;"MARTINI bead: SP1_SP1";;;;;;;-0.79;;-4.88;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM403797;MM403797;C#CC(CO)COCCC;CIXBSCOUXSPWOA-UHFFFAOYSA-N;142.2;0.65;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_Nda";;;;;;;0.87;;-1.99;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM403798;MM403798;C=c1[nH]c(=NO)n(O)c1=C;YEVXVCWGBVXZFN-UHFFFAOYSA-N;141.13;-1.84;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP3_SP1";;;;;;;-1.93;;-4.72;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM403799;MM403799;C#CC(CO)COCCO;GMBYMAAIQCDJHI-UHFFFAOYSA-N;144.17;-0.76;;;;;DOPC;MDCG;27;0;"MARTINI bead: P3_Nda";;;;;;;-1.1;;-3.97;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM403800;MM403800;C=c1oc(=CC)n(C)c1=N;AQJZSJGNBMESGL-UHFFFAOYSA-N;138.17;-0.69;;;;;DOPC;MDCG;27;1;"MARTINI bead: SN0_SP1";;;;;;;0.34;;-4.87;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM403801;MM403801;C#CC(CO)COCCF;PBNXSTWFVFWXJI-UHFFFAOYSA-N;146.16;0.21;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda_P2";;;;;;;-0.24;;-3.31;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM403802;MM403802;C=c1oc(=CF)n(C)c1=N;KFVWGNSMGRQKIZ-UHFFFAOYSA-N;142.13;-0.78;;;;;DOPC;MDCG;27;1;"MARTINI bead: SP1_SNa";;;;;;;0.04;;-4.31;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM403803;MM403803;C#CC(CF)COCCC;HPMMNRJEBAAPOV-UHFFFAOYSA-N;144.19;1.63;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_Na";;;;;;;0.87;;-2.22;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM403804;MM403804;C=c1oc(=CC)n(C)c1=O;GJZOJBSWZOUQGZ-UHFFFAOYSA-N;139.15;-0.81;;;;;DOPC;MDCG;27;0;"MARTINI bead: SN0_SP2";;;;;;;0.06;;-2.21;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM403805;MM403805;C#CC(CF)COCCO;ZRSIZGIHYSWHQZ-UHFFFAOYSA-N;146.16;0.21;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_Na";;;;;;;-0.24;;-3.24;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM403806;MM403806;C=c1oc(=CF)n(C)c1=O;ZSPKEYHAXDTVNL-UHFFFAOYSA-N;143.12;-0.9;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP2_SNa";;;;;;;-0.24;;-3.24;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM403807;MM403807;C#CC(CC)COCOC;JURBTHZSQWOIJN-UHFFFAOYSA-N;142.2;1.27;;;;;DOPC;MDCG;27;0;"MARTINI bead: C3_P1";;;;;;;1.74;;0.29;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM403808;MM403808;C=c1oc(=CC)n(N)c1=N;JVILHAHIKUMOEF-UHFFFAOYSA-N;139.16;-1.51;;;;;DOPC;MDCG;27;1;"MARTINI bead: SNd_SP1";;;;;;;0.04;;-3.94;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM403809;MM403809;C#CC(CO)COCOC;JCAGKQRZQOECJO-UHFFFAOYSA-N;144.17;-0.15;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_Nda";;;;;;;-0.24;;-3.31;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM403810;MM403810;C=c1oc(=CC)n(N)c1=O;TVVCYHXJAYBAPY-UHFFFAOYSA-N;140.14;-1.63;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNd_SP2";;;;;;;-0.24;;-3.16;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM403811;MM403811;C#CC(COCCN)NC;VOMYYPSPMVKRDQ-UHFFFAOYSA-N;142.2;-0.82;;;;;DOPC;MDCG;27;1;"MARTINI bead: P2_P2";;;;;;;-1.34;;-6.4;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM403812;MM403812;C=c1oc(=CF)n(N)c1=O;FZCJLFUANBXBKO-UHFFFAOYSA-N;144.11;-1.73;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP2_SNda";;;;;;;-0.24;;-3.31;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM403813;MM403813;C#CC(COCCO)NC;KSFAZULGAMHSSI-UHFFFAOYSA-N;143.19;-0.78;;;;;DOPC;MDCG;27;1;"MARTINI bead: P2_P2";;;;;;;-1.34;;-5.46;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM403814;MM403814;CON=c1ncc(O)no1;FQSHMUCWTPKFQF-UHFFFAOYSA-N;143.1;-0.76;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP3_SP2";;;;;;;-2.2;;-9.27;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM403815;MM403815;C#CC(COCCC)OC;AFPHGYBOQHRFCA-UHFFFAOYSA-N;142.2;1.06;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_Na";;;;;;;0.87;;-2.22;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM403816;MM403816;C#CC#Cc1cc(O)on1;MSFVBEJOOURYDL-UHFFFAOYSA-N;133.11;0.36;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNda_SNa";;;;;;;0.87;;-6.4;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM403817;MM403817;C#CC(COCCN)OC;CZQRQYOFWQXXSU-UHFFFAOYSA-N;143.19;-0.39;;;;;DOPC;MDCG;27;1;"MARTINI bead: Na_P3";;;;;;;-1.1;;-6.22;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM403818;MM403818;CC=C1CN(C)N(C)C1=N;OXXWFQWAYXHVCG-UHFFFAOYSA-N;139.2;0.7;;;;;DOPC;MDCG;27;1;"MARTINI bead: SP1_SP2";;;;;;;-1.06;;-6.56;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM403819;MM403819;C#CC(COCCO)OC;UWRWWUOHRBVZMO-UHFFFAOYSA-N;144.17;-0.36;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_P2";;;;;;;-0.24;;-3.24;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM403820;MM403820;CC1(C)CCC1O;XHCDLTIWJSWMHC-UHFFFAOYSA-N;100.16;1.17;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC3_SNda";;;;;;;2.57;;0.44;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM403821;MM403821;C#CC(COCOC)OC;DARNZBGNFYFVNT-UHFFFAOYSA-N;144.17;0.26;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_Na";;;;;;;-0.24;;-3.24;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM403822;MM403822;CC1C=CCC1O;OISMVDVRWARNAR-UHFFFAOYSA-N;98.15;0.94;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC4_SNda";;;;;;;2.2;;0.49;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM403823;MM403823;C#CC(CC)NCCCC;XYPGWHYFXHOCDH-UHFFFAOYSA-N;139.24;1.79;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_C3";;;;;;;2.57;;-0.94;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM403824;MM403824;CC1CC(C)C1O;ASBVUFDJJLZGSD-UHFFFAOYSA-N;100.16;1.02;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNda_SC4";;;;;;;2.2;;0.49;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM403825;MM403825;C#CC(CN)NCCCN;HOIOPWOPALURSI-UHFFFAOYSA-N;141.22;-1.11;;;;;DOPC;MDCG;27;1;"MARTINI bead: P3_Nd";;;;;;;-1.1;;-6.44;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM403826;MM403826;Cn1oc(=NO)c(=N)n1O;YGVHOBUKGACVCD-UHFFFAOYSA-N;146.11;-1.57;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP2_SP2";;;;;;;-1.34;;-4.31;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM403827;MM403827;C#CC(CO)NCCCN;ZANCVLQETHLZTF-UHFFFAOYSA-N;142.2;-1.08;;;;;DOPC;MDCG;27;1;"MARTINI bead: P3_Nda";;;;;;;-1.1;;-6.41;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM403828;MM403828;Nc1nc(=O)cno1;NCHROOYHVNJQEK-UHFFFAOYSA-N;113.08;-0.99;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP4_SP3";;;;;;;-3.15;;-6.87;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM403829;MM403829;C#CC(CO)NCCCF;SKHJIAHXZCFOOX-UHFFFAOYSA-N;145.18;-0.07;;;;;DOPC;MDCG;27;1;"MARTINI bead: P3_C5";;;;;;;-0.33;;-3.11;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM403830;MM403830;Cn1oc(=NO)c(=O)n1C;PZULTUILSUQADI-UHFFFAOYSA-N;145.12;-1.39;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP1_SP2";;;;;;;-1.06;;-3.82;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM403831;MM403831;C#CC(CN)NCCNC;DKLQHKZZIWOKIL-UHFFFAOYSA-N;141.22;-1.24;;;;;DOPC;MDCG;27;1;"MARTINI bead: P3_Nd";;;;;;;-1.1;;-6.18;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM403832;MM403832;CC1(CO)CC=CC1;IVEREFGMJHLAJR-UHFFFAOYSA-N;112.17;1.34;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC5_SC5";;;;;;;2.41;;0.64;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM403833;MM403833;C#CC(CO)NCCNC;IANQLPRTYZACOL-UHFFFAOYSA-N;142.2;-1.21;;;;;DOPC;MDCG;27;1;"MARTINI bead: P3_Nda";;;;;;;-1.1;;-6.1;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM403834;MM403834;Cn1oc(=NO)c(=O)n1N;KHHBEMWCPUHVSV-UHFFFAOYSA-N;146.11;-2.22;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP2_SP2";;;;;;;-1.34;;-4.31;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM403835;MM403835;C#CC(CN)NCCOC;DQSUCGHNSMYJQO-UHFFFAOYSA-N;142.2;-0.82;;;;;DOPC;MDCG;27;1;"MARTINI bead: Na_P3";;;;;;;-1.1;;-5.87;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM403836;MM403836;O=c1oc(=NO)[nH]n1O;PCFFMVUYKGELOJ-UHFFFAOYSA-N;133.06;-1.7;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP3_SP2";;;;;;;-2.2;;-9.27;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM403837;MM403837;C#CC(CC)OCCCC;DVWVFMWZNMBMAN-UHFFFAOYSA-N;140.23;2.21;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_C3";;;;;;;2.57;;0.45;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM403838;MM403838;O=CON=CC(O)C(=O)O;QIUCODRZSRIMCC-UHFFFAOYSA-N;147.09;-1.41;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_P2";;;;;;;-1.06;;-8.14;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM403839;MM403839;C#CC(CC)OCCCO;ZIRRGUXDKHISJJ-UHFFFAOYSA-N;142.2;0.8;;;;;DOPC;MDCG;27;0;"MARTINI bead: C3_P3";;;;;;;0.6;;-0.8;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM403840;MM403840;C=C1NC(=NC)C(=C)C1N;AKWVHQOTRSXRMZ-UHFFFAOYSA-N;137.19;0.02;;;;;DOPC;MDCG;27;1;"MARTINI bead: SNd_SP1";;;;;;;0.04;;-5.5;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM403841;MM403841;C#CC(CC)OCCCF;AYDUGQGSSWOODI-UHFFFAOYSA-N;144.19;1.77;;;;;DOPC;MDCG;27;0;"MARTINI bead: C3_P1";;;;;;;1.74;;0.29;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM403842;MM403842;C=C1C(=CF)CC(=N)N1C;SYJYOZLPBLSICV-UHFFFAOYSA-N;140.16;1.67;;;;;DOPC;MDCG;27;1;"MARTINI bead: SNd_SP1";;;;;;;0.04;;-5.51;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM403843;MM403843;C#CC(CN)OCCCC;LGPMDNBXCICRTM-UHFFFAOYSA-N;141.21;0.76;;;;;DOPC;MDCG;27;1;"MARTINI bead: C1_P3";;;;;;;0.94;;-1.48;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM403844;MM403844;C=C1C(=CF)CC(=N)N1N;NNJJPUNBZRFSNM-UHFFFAOYSA-N;141.15;0.91;;;;;DOPC;MDCG;27;1;"MARTINI bead: SP1_SP1";;;;;;;-0.79;;-4.94;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM403845;MM403845;C#CC(CN)OCCCO;HWFMBTHNZTVZLV-UHFFFAOYSA-N;143.19;-0.65;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_P3";;;;;;;-1.1;;-5.61;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM403846;MM403846;C=C1CC(=CN)C(=N)N1N;YZLDGUJPQOPTGI-UHFFFAOYSA-N;138.17;-0.1;;;;;DOPC;MDCG;27;1;"MARTINI bead: SP2_SP1";;;;;;;-1.06;;-6.33;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM403847;MM403847;C#CC(CO)OCCCC;RVRJWBCAJOKKDG-UHFFFAOYSA-N;142.2;0.8;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1_P3";;;;;;;0.94;;0.03;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM403848;MM403848;C=C1CC(=CF)C(=N)N1N;OVHHFLZFDBBRLZ-UHFFFAOYSA-N;141.15;0.91;;;;;DOPC;MDCG;27;1;"MARTINI bead: SP1_SP1";;;;;;;-0.79;;-4.14;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM403849;MM403849;C#CC(CF)OCCCN;MVHNAALNOYRCAS-UHFFFAOYSA-N;145.18;0.32;;;;;DOPC;MDCG;27;1;"MARTINI bead: P2_Na";;;;;;;-0.24;;-5.95;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM403850;MM403850;C=C1C(=NO)CC(=O)N1N;PUUUPUZMKLIUGK-UHFFFAOYSA-N;141.13;-0.56;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNda_SP3";;;;;;;-1.1;;-3.97;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM403851;MM403851;C#CC(CC)OCCNC;JTHLZNPZSMFOAB-UHFFFAOYSA-N;141.21;0.63;;;;;DOPC;MDCG;27;1;"MARTINI bead: C5_P1";;;;;;;0.81;;-2.76;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM403852;MM403852;C=c1c(=CC)[nH]c(=N)n1C;IGLCVVVEGMCKFF-UHFFFAOYSA-N;137.19;-0.96;;;;;DOPC;MDCG;27;1;"MARTINI bead: SP1_SP1";;;;;;;-0.79;;-7.1;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM403853;MM403853;C#CC(CO)OCCNC;AQMQNSSLKUSWJQ-UHFFFAOYSA-N;143.19;-0.78;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_P3";;;;;;;-1.1;;-6.19;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM403854;MM403854;C=c1c(=CF)[nH]c(=N)n1C;BCGSILXHALTFCF-UHFFFAOYSA-N;141.15;-1.05;;;;;DOPC;MDCG;27;1;"MARTINI bead: SP1_SP2";;;;;;;-1.06;;-6.5;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM403855;MM403855;C#CC(CC)OCCOC;IBBUOGCAJOHCMX-UHFFFAOYSA-N;142.2;1.06;;;;;DOPC;MDCG;27;0;"MARTINI bead: C3_P2";;;;;;;1.46;;-0.15;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM403856;MM403856;C=c1c(=CC)[nH]c(=O)n1C;CDLDBAGOPOABPK-UHFFFAOYSA-N;138.17;-1.08;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP1_SP1";;;;;;;-0.79;;-3.13;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM403857;MM403857;C#CC(CO)OCCOC;VRHHDUBAVKRDBP-UHFFFAOYSA-N;144.17;-0.36;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_Nda";;;;;;;-0.24;;-3.31;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM403858;MM403858;C=c1c(=CF)[nH]c(=O)n1C;UGFWKNGKGFWZQD-UHFFFAOYSA-N;142.13;-1.17;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP1_SP2";;;;;;;-1.06;;-3.82;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM403859;MM403859;C#CC(OC)OCCCC;NMCRBCYLEKQBNK-UHFFFAOYSA-N;142.2;1.41;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_Na";;;;;;;0.87;;-2.22;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM403860;MM403860;C=c1c(=CC)[nH]c(=N)n1N;UCBKRUXFLYCRFO-UHFFFAOYSA-N;138.17;-1.78;;;;;DOPC;MDCG;27;1;"MARTINI bead: SP1_SP2";;;;;;;-1.06;;-7.26;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM403861;MM403861;C#CC(CC)CCCC=C;DELBYNINSNTDFJ-UHFFFAOYSA-N;136.24;3;;;;;DOPC;MDCG;27;0;"MARTINI bead: C3_C1";;;;;;;4.61;;0.31;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM403862;MM403862;C=c1c(=CF)[nH]c(=N)n1N;RQRIJYNQHMWCCZ-UHFFFAOYSA-N;142.14;-1.87;;;;;DOPC;MDCG;27;1;"MARTINI bead: SP2_SP2";;;;;;;-1.34;;-6.48;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM403863;MM403863;C#CC(CC)CCCC=O;LKXKETGKVHLCQJ-UHFFFAOYSA-N;138.21;2.02;;;;;DOPC;MDCG;27;0;"MARTINI bead: C3_C5";;;;;;;3.34;;0.48;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM403864;MM403864;C=c1c(=CC)[nH]c(=O)n1N;GBDPFRDMQHXZCF-UHFFFAOYSA-N;139.16;-1.9;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP1_SP2";;;;;;;-1.06;;-3.82;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM403865;MM403865;C#CC(CC)CCCC#N;WFAPRAWUMFYHMJ-UHFFFAOYSA-N;135.21;2.34;;;;;DOPC;MDCG;27;0;"MARTINI bead: C2_P1";;;;;;;2;;0.29;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM403866;MM403866;C=c1c(=CF)[nH]c(=O)n1N;GHLGCKKABHMUHA-UHFFFAOYSA-N;143.12;-1.99;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP2_SP2";;;;;;;-1.34;;-4.31;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM403867;MM403867;C#CC(CN)CCCC=C;QDBFBXOZLXVTFI-UHFFFAOYSA-N;137.23;1.55;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_C1";;;;;;;2.91;;-0.27;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM403868;MM403868;C=c1c(=CC)[nH]c(=N)n1O;RWZNRQSKJYJXBO-UHFFFAOYSA-N;139.16;-1.26;;;;;DOPC;MDCG;27;1;"MARTINI bead: SP1_SP2";;;;;;;-1.06;;-5.74;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM403869;MM403869;CN=C(N=CNNC)OC;JBRPODATNCAJAC-UHFFFAOYSA-N;144.18;-0.63;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_P1";;;;;;;-1.06;;-3.82;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM403870;MM403870;C=c1oc(=CC)c(=N)n1C;DJOFTAJTOSXYBG-UHFFFAOYSA-N;138.17;-0.69;;;;;DOPC;MDCG;27;1;"MARTINI bead: SP1_SP1";;;;;;;-0.79;;-6.46;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM403871;MM403871;C#CC(CF)CCCC=O;CMEAWGXYVFDPCN-UHFFFAOYSA-N;142.17;1.57;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_Na";;;;;;;1.64;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM403872;MM403872;C=c1oc(=CN)c(=N)n1C;NAOZZFJJDNMKBN-UHFFFAOYSA-N;139.16;-1.8;;;;;DOPC;MDCG;27;1;"MARTINI bead: SP1_SP2";;;;;;;-1.06;;-6.93;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM403873;MM403873;C#CC(CC)CCNC=N;YZKAMRJAVSQRCJ-UHFFFAOYSA-N;138.21;1.23;;;;;DOPC;MDCG;27;1;"MARTINI bead: C2_P3";;;;;;;0.86;;-4.23;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM403874;MM403874;C=c1oc(=CF)c(=N)n1C;LTISRPMRJFAOHR-UHFFFAOYSA-N;142.13;-0.78;;;;;DOPC;MDCG;27;1;"MARTINI bead: SP1_SP1";;;;;;;-0.79;;-4.85;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM403875;MM403875;C#CC(CN)CCNC=N;PYEJTTSFDQXFLI-UHFFFAOYSA-N;139.2;-0.22;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_P3";;;;;;;-1.1;;-8.05;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM403876;MM403876;C=c1oc(=CC)c(=N)n1N;IIYIAVFKJZGCFE-UHFFFAOYSA-N;139.16;-1.51;;;;;DOPC;MDCG;27;1;"MARTINI bead: SP1_SP1";;;;;;;-0.79;;-4.43;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM403877;MM403877;C#CC(CN)CCNC=O;MMOMYRWBRKRKNO-UHFFFAOYSA-N;140.19;-0.67;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_P3";;;;;;;-1.1;;-6.09;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM403878;MM403878;C=c1oc(=CN)c(=N)n1N;AZZWHRWQKFMTPV-UHFFFAOYSA-N;140.15;-2.62;;;;;DOPC;MDCG;27;1;"MARTINI bead: SP2_SP1";;;;;;;-1.06;;-4.92;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM403879;MM403879;C#CC(CO)CCNC=N;OFEJADIBZSUAJM-UHFFFAOYSA-N;140.19;-0.19;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nda_P3";;;;;;;-1.1;;-7.92;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM403880;MM403880;C=c1oc(=CC)c(=O)n1C;WDHUMSDDQJHHCS-UHFFFAOYSA-N;139.15;-0.81;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP1_SP1";;;;;;;-0.79;;-3.13;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM403881;MM403881;C#CC(CF)CCNC=N;FKYQKNBMZISEPG-UHFFFAOYSA-N;142.18;0.79;;;;;DOPC;MDCG;27;1;"MARTINI bead: Na_P2";;;;;;;-0.24;;-7.59;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM403882;MM403882;C=c1oc(=CN)c(=O)n1C;NQQLUQOHPFYOTR-UHFFFAOYSA-N;140.14;-1.91;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP1_SP2";;;;;;;-1.06;;-3.82;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM403883;MM403883;C#CC(CC)CCNN=C;JMKUWUBDAQUSHF-UHFFFAOYSA-N;138.21;1.24;;;;;DOPC;MDCG;27;0;"MARTINI bead: C2_P2";;;;;;;1.72;;0.27;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM403884;MM403884;C=c1oc(=CF)c(=O)n1C;BQKWKCYZPIXQTQ-UHFFFAOYSA-N;143.12;-0.9;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP1_SP1";;;;;;;-0.79;;-3.13;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM403885;MM403885;C#CC(CN)CCNN=C;DGQQXGYTTBNDHE-UHFFFAOYSA-N;139.2;-0.21;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_P2";;;;;;;-0.24;;-5.62;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM403886;MM403886;C=c1oc(=CC)c(=O)n1N;YDXFGTMDXCQHRG-UHFFFAOYSA-N;140.14;-1.63;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP1_SP1";;;;;;;-0.79;;-3.13;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM403887;MM403887;C#CC(CF)CCNN=C;SCWOOMINLVPZTH-UHFFFAOYSA-N;142.18;0.8;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_P2";;;;;;;0.54;;-1.09;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM403888;MM403888;C=Cc1n[nH]cc1N;WNRGCBAAKZIGQX-UHFFFAOYSA-N;109.13;0.63;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP1_SNda";;;;;;;0.04;;-2.73;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM403889;MM403889;C#CC(CC)CCOC=C;YIAXWORQWXIPNZ-UHFFFAOYSA-N;138.21;2.2;;;;;DOPC;MDCG;27;0;"MARTINI bead: C2_Na";;;;;;;2.83;;0.35;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM403890;MM403890;C=c1oc(=CF)c(=O)n1N;PIAFXKGLKHIHRM-UHFFFAOYSA-N;144.11;-1.73;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP1_SP1";;;;;;;-0.79;;-3.13;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM403891;MM403891;C#CC(CC)CCOC=O;ARCPDLQNGURHBB-UHFFFAOYSA-N;140.18;1.21;;;;;DOPC;MDCG;27;0;"MARTINI bead: C2_P1";;;;;;;2;;0.29;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM403892;MM403892;CCN1C(C)C1C(=O)O;CTJJLWQNMLYZAS-UHFFFAOYSA-N;129.16;0.16;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNd_P1";;;;;;;0.04;;-7.01;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM403893;MM403893;C#CC(CN)CCOC=C;STEFHXNVQOADCV-UHFFFAOYSA-N;139.2;0.74;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_Na";;;;;;;0.87;;-4.36;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM403894;MM403894;NC(CC(=O)O)C(F)(F)F;XRXQOEWWPPJVII-UHFFFAOYSA-N;157.09;0.35;;;;;DOPC;MDCG;27;0;"MARTINI bead: P4_N0";;;;;;;-0.88;;-7.33;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM403895;MM403895;C#CC(CF)CCOC=O;CPZIMJRRJBXWKR-UHFFFAOYSA-N;144.15;0.77;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_P1";;;;;;;0.81;;-0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM403896;MM403896;N=c1nn[nH]c(=O)nn1;FUPVSYQHFQWJLO-UHFFFAOYSA-N;126.08;-2.57;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP4_SP4";;;;;;;-3.24;;-11.01;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM403897;MM403897;C#CC(CC)CCON=C;WRGONGXDCGMGIR-UHFFFAOYSA-N;139.2;1.67;;;;;DOPC;MDCG;27;0;"MARTINI bead: C2_P1";;;;;;;2;;0.3;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM403898;MM403898;C=C1C(=C)C(C)CC1=CC;GMFGTZGBUKBNKY-UHFFFAOYSA-N;134.22;3.08;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC1_SC3";;;;;;;4.61;;0.31;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM403899;MM403899;C#CC(CN)CCON=C;QFKXDHNXBSUQGI-UHFFFAOYSA-N;140.19;0.22;;;;;DOPC;MDCG;27;1;"MARTINI bead: N0_P1";;;;;;;0.34;;-4;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM403900;MM403900;C=C1C(=C)C(N)CC1=CC;JYNOXYRVSVPDNU-UHFFFAOYSA-N;135.21;1.78;;;;;DOPC;MDCG;27;1;"MARTINI bead: SC1_SNd";;;;;;;2.91;;-0.2;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM403901;MM403901;C#CC(CCCC=C)NC;UMIZQXMYVVVVJT-UHFFFAOYSA-N;137.23;1.56;;;;;DOPC;MDCG;27;1;"MARTINI bead: P2_C1";;;;;;;1.8;;-0.89;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM403902;MM403902;CC=CC(=O)C1CN1;BALTZJCGXKVXJD-UHFFFAOYSA-N;111.14;0.1;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_SP2";;;;;;;-0.24;;-3.24;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM403903;MM403903;C#CC(CCNC=N)NC;YOALDOMDMLVDEW-UHFFFAOYSA-N;139.2;-0.21;;;;;DOPC;MDCG;27;1;"MARTINI bead: P2_P2";;;;;;;-1.34;;-8.64;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM403904;MM403904;C=C1C(=C)C(F)CC1=CC;BTVJBQYWUAFTBZ-UHFFFAOYSA-N;138.19;2.79;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC1_SC4";;;;;;;4.24;;0.42;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM403905;MM403905;C#CC(CCNN=C)NC;UMAFLCMVPXJPSR-UHFFFAOYSA-N;139.2;-0.2;;;;;DOPC;MDCG;27;1;"MARTINI bead: P2_Nd";;;;;;;-0.24;;-4.78;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM403906;MM403906;C=C1C(=O)C(C)CC1=CC;MXLNVYJPWXPDGQ-UHFFFAOYSA-N;136.19;2.1;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC1_SNa";;;;;;;2.91;;0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM403907;MM403907;C#CC(CCOC=O)NC;SRMSWCGNQKOEIE-UHFFFAOYSA-N;141.17;-0.23;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1_P1";;;;;;;-0.79;;-4.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM403908;MM403908;C=C1C(=C)C(F)CC1=NN;FJNJTUKLPSOXME-UHFFFAOYSA-N;140.16;1.16;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNd_SC4";;;;;;;2.2;;0.32;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM403909;MM403909;C#CC(CCCC=C)OC;VDBVHKNDNIOMJO-UHFFFAOYSA-N;138.21;1.99;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_C3";;;;;;;2.57;;0.45;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM403910;MM403910;C=C1C(=C)C(C)OC1=CC;IKXIHWMWQXUOTF-UHFFFAOYSA-N;136.19;2.42;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC5_SC5";;;;;;;2.41;;0.64;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM403911;MM403911;C#CC(CCCC=O)OC;UXZOEYLBPMIZOB-UHFFFAOYSA-N;140.18;1;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_Na";;;;;;;0.87;;-2.22;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM403912;MM403912;C=C1C(=O)C(N)=NC1=CC;KHZNPUKDTJAMRF-UHFFFAOYSA-N;136.15;0.39;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC5_SP1";;;;;;;0.81;;-0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM403913;MM403913;C#CC(CCCC#N)OC;RWZATIYCCHGTBJ-UHFFFAOYSA-N;137.18;1.33;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_N0";;;;;;;1.17;;-1.18;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM403914;MM403914;C=CC(C)(O)CC=CC;PMJLQVZVZNOTEU-UHFFFAOYSA-N;126.2;1.89;;;;;DOPC;MDCG;27;0;"MARTINI bead: C2_Nda";;;;;;;2.83;;0.57;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM403915;MM403915;C#CC(CCNC=N)OC;DTIWREBEWMRXPH-UHFFFAOYSA-N;140.19;0.22;;;;;DOPC;MDCG;27;1;"MARTINI bead: Na_P2";;;;;;;-0.24;;-7.55;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM403916;MM403916;C=C(C)CCC(O)CC;GHCUWSCECQAVAW-UHFFFAOYSA-N;128.22;2.11;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda_C4";;;;;;;2.2;;0.49;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM403917;MM403917;C=NNC1CC1(C#N)C=O;CUYKUILEBXOFQN-UHFFFAOYSA-N;137.14;-0.33;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_SNa";;;;;;;-0.24;;-3.24;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM403918;MM403918;Nc1nc(=NO)c(=O)c1=O;MHRGLKOVDGXGCT-UHFFFAOYSA-N;141.09;-2.45;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP3_SP2";;;;;;;-2.2;;-5.19;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM403919;MM403919;C#CC(CCOC=C)OC;QKZNDEYXRHRWOC-UHFFFAOYSA-N;140.18;1.18;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_Na";;;;;;;0.87;;-2.22;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM403920;MM403920;CN=c1[nH]c(=O)c(=O)c1=O;BWCBJRFBGXFSMQ-UHFFFAOYSA-N;140.1;-2.5;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNd_SP2";;;;;;;-0.24;;-3.16;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM403921;MM403921;C#CC(CCOC=O)OC;UQCXVKKLOHUXTN-UHFFFAOYSA-N;142.15;0.2;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_P1";;;;;;;0.81;;-0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM403922;MM403922;C=c1oc(=CC)c(=C)c1=C;NPLZEOLPCHKCDM-UHFFFAOYSA-N;134.18;-0.69;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC5_SC5";;;;;;;2.41;;0.64;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM403923;MM403923;C#CC(CCON=C)OC;NWXDUPGTVVZBBR-UHFFFAOYSA-N;141.17;0.66;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_Na";;;;;;;0.87;;-2.22;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM403924;MM403924;C=c1oc(=CF)c(=C)c1=C;MFDNLFLWSBVPFH-UHFFFAOYSA-N;138.14;-0.78;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNa_SC5";;;;;;;1.64;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM403925;MM403925;C#CC(CC)CNCC=C;RJNKWEUCYMFWSG-UHFFFAOYSA-N;137.23;1.42;;;;;DOPC;MDCG;27;1;"MARTINI bead: C3_Nd";;;;;;;2.57;;-0.87;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM403926;MM403926;CCC1C=C(C)C(C)N1C;IAAATRAFEUZPAJ-UHFFFAOYSA-N;139.24;2.05;;;;;DOPC;MDCG;27;1;"MARTINI bead: SC5_SN0";;;;;;;1.94;;-1.53;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM403927;MM403927;C=CC1C=C(C)C(C)N1C;SIVMUAWVMBYZSH-UHFFFAOYSA-N;137.23;1.82;;;;;DOPC;MDCG;27;1;"MARTINI bead: SN0_SNd";;;;;;;1.17;;-2.97;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM403928;MM403928;C#CC(CC)CNCC#N;YSXGQNVNPGTDIP-UHFFFAOYSA-N;136.2;0.76;;;;;DOPC;MDCG;27;0;"MARTINI bead: C2_P3";;;;;;;0.86;;-0.3;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM403929;MM403929;C=CC=NN=CC(C)=O;ONGBNHKQYHKYMN-UHFFFAOYSA-N;124.14;0.82;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_C5";;;;;;;1.64;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM403930;MM403930;C#CCC1CC(OC)=NN1;KFMGDVDCMXGCMV-UHFFFAOYSA-N;138.17;0.33;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP1_SNd";;;;;;;0.04;;-2.63;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM403931;MM403931;C=C(F)C(=O)C=NNC;UFFZFASPVIGMOK-UHFFFAOYSA-N;130.12;0.24;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_C5";;;;;;;0.81;;-0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM403932;MM403932;C#CC(CN)CNNC=O;QSCJAQREGJJEKT-UHFFFAOYSA-N;141.17;-1.55;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_P4";;;;;;;-1.19;;-6.68;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM403933;MM403933;Cn1nc(N)nnc1=O;HHAVTDVPTRDSSA-UHFFFAOYSA-N;127.11;-1.85;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP2_SP3";;;;;;;-2.2;;-5.19;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM403934;MM403934;C#CC(CO)CNNC=N;UTDGMJOELONUKO-UHFFFAOYSA-N;141.17;-1.07;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nda_P4";;;;;;;-1.19;;-7.6;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM403935;MM403935;CCNC1=NC(=O)C=N1;MLYGFJYOVKYWLW-UHFFFAOYSA-N;125.13;-0.44;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNd_SP1";;;;;;;0.04;;-2.63;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM403936;MM403936;CCc1noc(=NNC)o1;WRPKYSHBNHAWGI-UHFFFAOYSA-N;143.15;-0.13;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP1_P2";;;;;;;-1.06;;-3.82;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM403937;MM403937;NC(=O)N=c1[nH]oc(=O)o1;ORLBIHVCPGYYQD-UHFFFAOYSA-N;145.07;-1.46;;;;;DOPC;MDCG;27;0;"MARTINI bead: P3_SP2";;;;;;;-2.2;;-9.27;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM403938;MM403938;C#CC(CNNC=N)NC;LEDWAEBHDGKZRW-UHFFFAOYSA-N;140.19;-1.09;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1_P4";;;;;;;-2.01;;-7.98;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM403939;MM403939;C#CCc1cc(N)c[nH]1;ACUMWUQRJVBYGG-UHFFFAOYSA-N;120.16;0.77;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP1_SNd";;;;;;;0.04;;-2.63;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM403940;MM403940;C#CC(CNCC#N)OC;PRHDKSCVZZCWIQ-UHFFFAOYSA-N;138.17;-0.25;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_P2";;;;;;;-0.24;;-3.24;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM403941;MM403941;CCc1c[nH]c(N)c1C;ZGRPBUCUBDBEJK-UHFFFAOYSA-N;124.19;1.47;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC5_SNd";;;;;;;1.64;;0.03;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM403942;MM403942;C#CC(CNNC=N)OC;LKIKGMVSOPOVBF-UHFFFAOYSA-N;141.17;-0.66;;;;;DOPC;MDCG;27;1;"MARTINI bead: Na_P4";;;;;;;-1.19;;-7.55;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM403943;MM403943;C#Cc1[nH]cc(N)c1C;LCELYKRALVTQBN-UHFFFAOYSA-N;120.16;0.89;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNd_SNd";;;;;;;0.87;;-2.11;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM403944;MM403944;C=Cc1noc(=NNC)o1;IZDYWBWFFMFCDX-UHFFFAOYSA-N;141.13;-0.05;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_SP2";;;;;;;-1.34;;-4.31;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM403945;MM403945;C#CC1C(C)C(O)C1C;HFSCEZHTWDHGOI-UHFFFAOYSA-N;124.18;0.88;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNda_SC5";;;;;;;1.64;;0.05;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM403946;MM403946;C#CC(CC)COCC=C;VHSZKHCANNGXFQ-UHFFFAOYSA-N;138.21;1.85;;;;;DOPC;MDCG;27;0;"MARTINI bead: C3_Na";;;;;;;2.57;;0.45;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM403947;MM403947;CCn1cc(C)n(C)c1=N;JAHXNVTXZSQLCE-UHFFFAOYSA-N;139.2;0.63;;;;;DOPC;MDCG;27;1;"MARTINI bead: SN0_SNd";;;;;;;1.17;;-5.57;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM403948;MM403948;C#CC(CC)COCC#N;DQRBCOBKSWHMRE-UHFFFAOYSA-N;137.18;1.19;;;;;DOPC;MDCG;27;0;"MARTINI bead: C3_P1";;;;;;;1.74;;0.29;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM403949;MM403949;CCn1cc(N)n(C)c1=O;OHBFAZGYQZECRY-UHFFFAOYSA-N;141.17;-0.21;;;;;DOPC;MDCG;27;0;"MARTINI bead: SN0_SP3";;;;;;;-0.8;;-2.99;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM403950;MM403950;C#CC(CF)COCC=O;FDMDQLGOOZVTKD-UHFFFAOYSA-N;144.15;0.42;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_P1";;;;;;;0.04;;-2.54;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM403951;MM403951;CCn1nc(N)n(C)c1=N;OZEDYZOABBKCLD-UHFFFAOYSA-N;141.18;-0.7;;;;;DOPC;MDCG;27;1;"MARTINI bead: SP2_SP2";;;;;;;-1.34;;-7.57;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM403952;MM403952;C#CC(CC)CONC=N;SPARJMNYMUNMFV-UHFFFAOYSA-N;140.19;0.77;;;;;DOPC;MDCG;27;1;"MARTINI bead: C3_P3";;;;;;;0.6;;-2.55;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM403953;MM403953;CCn1nc(N)n(N)c1=N;XSLWPYQRLXACKZ-UHFFFAOYSA-N;142.17;-1.52;;;;;DOPC;MDCG;27;1;"MARTINI bead: SP2_SP3";;;;;;;-2.2;;-8.28;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM403954;MM403954;C#CC(CN)CONC=N;NWHGXRLDHYGQOG-UHFFFAOYSA-N;141.17;-0.68;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_P3";;;;;;;-1.1;;-6.19;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM403955;MM403955;CCn1nc(C)n(C)c1=O;AMRSXUDLSJAQDQ-UHFFFAOYSA-N;141.17;-0.09;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP1_SP2";;;;;;;-1.06;;-3.82;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM403956;MM403956;C#CC(CO)CONC=N;WDSICTPREPFSEH-UHFFFAOYSA-N;142.16;-0.64;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nda_P3";;;;;;;-1.1;;-5.75;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM403957;MM403957;CCn1nc(N)n(C)c1=O;UYLKRDBGBOEHDW-UHFFFAOYSA-N;142.16;-0.82;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP2_SP2";;;;;;;-1.34;;-4.31;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM403958;MM403958;C#CC(CF)CONC=O;RLPAMJIZWPUFGT-UHFFFAOYSA-N;145.13;-0.12;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_P2";;;;;;;-0.24;;-3.24;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM403959;MM403959;CCOC(OC=O)C(=O)O;ZBRVGYFAZOSQQT-UHFFFAOYSA-N;148.11;-0.39;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_P1";;;;;;;0.04;;-6.93;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM403960;MM403960;C#CC(CONC=N)NC;WDOUARFOFJHUQH-UHFFFAOYSA-N;141.17;-0.66;;;;;DOPC;MDCG;27;1;"MARTINI bead: P2_P3";;;;;;;-2.2;;-6.97;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM403961;MM403961;CCn1nc(C)n(N)c1=O;ZFJIVMQPLMNPCW-UHFFFAOYSA-N;142.16;-0.91;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP1_SP2";;;;;;;-1.06;;-3.82;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM403962;MM403962;C#CC(COCC=O)OC;RFSLNSXLGFEMKY-UHFFFAOYSA-N;142.15;-0.15;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_P1";;;;;;;0.04;;-2.54;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM403963;MM403963;COC=NNC=CC#N;MFUYQNKSZIKCOO-UHFFFAOYSA-N;125.13;0.2;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_N0";;;;;;;0.34;;-1.53;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM403964;MM403964;C#CC(CONC=N)OC;PRPJOCMPTYOCSV-UHFFFAOYSA-N;142.16;-0.24;;;;;DOPC;MDCG;27;1;"MARTINI bead: Na_P3";;;;;;;-1.1;;-5.96;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM403965;MM403965;C#CC(CC)NCCC=C;OHWCYPOYGHVCPH-UHFFFAOYSA-N;137.23;1.56;;;;;DOPC;MDCG;27;1;"MARTINI bead: C3_Nd";;;;;;;2.57;;-0.86;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM403966;MM403966;O=C(O)COCC(=O)O;QEVGZEDELICMKH-UHFFFAOYSA-N;134.09;-0.83;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_P1";;;;;;;-0.79;;-7.54;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM403967;MM403967;C#CC(CC)NCCC=O;OSJPPVPFXMYCOO-UHFFFAOYSA-N;139.2;0.58;;;;;DOPC;MDCG;27;1;"MARTINI bead: C3_P3";;;;;;;0.6;;-2.26;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM403968;MM403968;COC(OCC=O)C(=O)O;ROCZTUNNTPPJOK-UHFFFAOYSA-N;148.11;-0.74;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_Na";;;;;;;-0.24;;-7.59;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM403969;MM403969;C#CC(O)(CO)C(=O)O;XLPGAXMJQQKEPC-UHFFFAOYSA-N;130.1;-1.57;;;;;DOPC;MDCG;27;0;"MARTINI bead: P3_P1";;;;;;;-1.93;;-8.77;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM403970;MM403970;C#CC(CC)OCCC=C;ZUGHMWGBVYFHSA-UHFFFAOYSA-N;138.21;1.99;;;;;DOPC;MDCG;27;0;"MARTINI bead: C3_Na";;;;;;;2.57;;0.45;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM403971;MM403971;Oc1conc1F;IMZSOLLEYCTTKR-UHFFFAOYSA-N;103.05;0.52;;;;;DOPC;MDCG;27;0;"MARTINI bead: SN0_SNda";;;;;;;1.17;;-5.54;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM403972;MM403972;C#CC(CC)OCCC=O;VMITUHMBPAPNLN-UHFFFAOYSA-N;140.18;1;;;;;DOPC;MDCG;27;0;"MARTINI bead: C3_P2";;;;;;;1.46;;-0.15;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM403973;MM403973;CNn1nc(N)n(C)c1=N;VPAPGRYWPPIYJX-UHFFFAOYSA-N;142.17;-1.54;;;;;DOPC;MDCG;27;1;"MARTINI bead: SP3_SP2";;;;;;;-2.2;;-6.95;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM403974;MM403974;C#CC(CC)OCCC#N;SEONIKNNJFVCBI-UHFFFAOYSA-N;137.18;1.33;;;;;DOPC;MDCG;27;0;"MARTINI bead: C3_P2";;;;;;;1.46;;-0.15;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM403975;MM403975;C#CC(CO)OCCC=C;KNZADGKZMBHMPL-UHFFFAOYSA-N;140.18;0.57;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda_Na";;;;;;;0.87;;-1.99;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM403976;MM403976;CNn1nc(N)n(N)c1=N;SJRSRRPUSDVEQL-UHFFFAOYSA-N;143.15;-2.37;;;;;DOPC;MDCG;27;1;"MARTINI bead: SP2_SP2";;;;;;;-1.34;;-5.97;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM403977;MM403977;C#CC(CO)OCCC#N;AKXLDEVHUNFZPT-UHFFFAOYSA-N;139.15;-0.09;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda_P2";;;;;;;-0.24;;-3.31;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM403978;MM403978;CNn1nc(C)n(C)c1=O;GEYVZMIGVMKMKS-UHFFFAOYSA-N;142.16;-0.94;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP1_SP2";;;;;;;-1.06;;-3.82;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM403979;MM403979;C#CC(CF)OCCC=C;GDGHVFWONLJTPR-UHFFFAOYSA-N;142.17;1.55;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_Na";;;;;;;0.87;;-2.22;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM403980;MM403980;NN=c1nconc1N;QUDSFSCLZOQYIZ-UHFFFAOYSA-N;127.11;-1.57;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP3_SP3";;;;;;;-3.07;;-6.15;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM403981;MM403981;C#CC(CC)OCOC=C;FSCQPZAJSHBAQI-UHFFFAOYSA-N;140.18;1.53;;;;;DOPC;MDCG;27;0;"MARTINI bead: C3_P1";;;;;;;1.74;;0.29;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM403982;MM403982;C=NN=C(C=O)C(=O)O;SUTOIMPCFKSKRI-UHFFFAOYSA-N;128.09;-0.67;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_P1";;;;;;;-1.06;;-8.15;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM403983;MM403983;C#CC(CC)OCON=C;NFJDGIQCNJOGGM-UHFFFAOYSA-N;141.17;1;;;;;DOPC;MDCG;27;0;"MARTINI bead: C3_P3";;;;;;;0.6;;-0.8;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM403984;MM403984;CNn1nc(C)n(N)c1=O;PRBXAKLDGKKLMK-UHFFFAOYSA-N;143.15;-1.76;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP1_SP3";;;;;;;-1.93;;-4.72;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM403985;MM403985;C#CC(OC)OCCC=C;DLOWTDZANRKGOS-UHFFFAOYSA-N;140.18;1.18;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_Na";;;;;;;0.87;;-2.22;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM403986;MM403986;NN=CNN=CC1CC1;OTYQIHOUHAVSEQ-UHFFFAOYSA-N;126.16;-0.13;;;;;DOPC;MDCG;27;0;"MARTINI bead: P4_SC5";;;;;;;-0.41;;-2.78;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM403987;MM403987;C#CC(OC)OCON=C;WHJIOSHNRIAOOL-UHFFFAOYSA-N;143.14;0.2;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_P1";;;;;;;0.04;;-2.54;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM403988;MM403988;COC1=C(N)C(=CO)N=N1;NQDRVPQFAOEBPW-UHFFFAOYSA-N;141.13;0.63;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNda_SNda";;;;;;;0.87;;-6.49;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM403989;MM403989;C#CCCCC(C#C)CN;SBYBUQASHSHHEQ-UHFFFAOYSA-N;135.21;1;;;;;DOPC;MDCG;27;1;"MARTINI bead: P2_C1";;;;;;;1.8;;-1.35;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM403990;MM403990;NNC(=O)N(N)CC(=O)O;ZVDVSCOMZVISHI-UHFFFAOYSA-N;148.12;-2.17;;;;;DOPC;MDCG;27;0;"MARTINI bead: P4_P1";;;;;;;-2.01;;-8.92;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM403991;MM403991;C#CCC1=CCC(O)C1C;GWYKPVZNVJCEPV-UHFFFAOYSA-N;136.19;1.34;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNda_SC3";;;;;;;2.57;;0.44;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM403992;MM403992;CNC(C#N)C(=O)NOC;QVTRIDGTQLMRET-UHFFFAOYSA-N;143.15;-1.22;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_P2";;;;;;;-1.34;;-8.65;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM403993;MM403993;C#CCCCC(C#C)CF;XJZYANLJSFSYKW-UHFFFAOYSA-N;138.19;2.01;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_C5";;;;;;;2.41;;0.64;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM403994;MM403994;NC(CC(O)C(=O)O)=NO;CCKRQKADSQIYSS-UHFFFAOYSA-N;148.12;-1.43;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_P2";;;;;;;-1.34;;-8.65;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM403995;MM403995;C#CCCCC(C#C)NC;KGKJRWGAXMNOOK-UHFFFAOYSA-N;135.21;1.01;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1_C5";;;;;;;0.81;;-2.48;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM403996;MM403996;COn1nc(N)n(C)c1=N;XJQZFBKAFQZYLG-UHFFFAOYSA-N;143.15;-1.66;;;;;DOPC;MDCG;27;1;"MARTINI bead: SP3_SP2";;;;;;;-2.2;;-6.8;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM403997;MM403997;C#CCCCC(C#C)OC;JZVPOZFBMHHQRT-UHFFFAOYSA-N;136.19;1.44;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_C5";;;;;;;1.64;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM403998;MM403998;COn1nc(N)n(N)c1=N;ZKATZNNQTXIZGS-UHFFFAOYSA-N;144.14;-2.48;;;;;DOPC;MDCG;27;1;"MARTINI bead: SP3_SP3";;;;;;;-3.07;;-7.75;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM403999;MM403999;C#CCNCC(C#C)CC;OVFMBCHWAMUQAQ-UHFFFAOYSA-N;135.21;0.87;;;;;DOPC;MDCG;27;1;"MARTINI bead: C3_P2";;;;;;;1.46;;-1.63;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM404000;MM404000;COn1nc(C)n(C)c1=O;RTCHDLBXSCYUBP-UHFFFAOYSA-N;143.15;-1.05;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP1_SP2";;;;;;;-1.06;;-3.82;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM404001;MM404001;C#CCNCC(C#C)CN;VQRXCNPHORHJCA-UHFFFAOYSA-N;136.2;-0.58;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_P2";;;;;;;-0.24;;-5.34;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM404002;MM404002;COn1nc(N)n(C)c1=O;SULGWQJBMWUHRI-UHFFFAOYSA-N;144.13;-1.78;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP2_SP2";;;;;;;-1.34;;-4.31;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM404003;MM404003;C#CCNCC(C#C)CO;ADPFGHNJOASFDZ-UHFFFAOYSA-N;137.18;-0.55;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nda_P2";;;;;;;-0.24;;-4.4;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM404004;MM404004;O=c1[nH][nH]c(=O)n1O;YLISVVKTUVAGCN-UHFFFAOYSA-N;117.06;-1.9;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP3_SP2";;;;;;;-2.2;;-9.28;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM404005;MM404005;C#CCOCC(C#C)CC;HEUNHLIZKXVYJS-UHFFFAOYSA-N;136.19;1.3;;;;;DOPC;MDCG;27;0;"MARTINI bead: C3_Na";;;;;;;2.57;;0.45;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM404006;MM404006;COn1nc(C)n(N)c1=O;QAZJDMYIYVPXHC-UHFFFAOYSA-N;144.13;-1.87;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP1_SP3";;;;;;;-1.93;;-4.72;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM404007;MM404007;C#CCOCC(C#C)CF;FZSBBVSKJLATHL-UHFFFAOYSA-N;140.16;0.86;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_Na";;;;;;;0.87;;-2.22;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM404008;MM404008;NN=c1c(F)con1N;RJPPPLABTJZAKD-UHFFFAOYSA-N;132.1;-1.29;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP1_SN0";;;;;;;0.34;;-1.53;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM404009;MM404009;C#CCCNC(C#C)CC;DHMDEESKUYHNDA-UHFFFAOYSA-N;135.21;1.01;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_C5";;;;;;;1.64;;-1.6;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM404010;MM404010;O=CC=C(CCF)C(=O)O;KIGYBKDEXVBWQE-UHFFFAOYSA-N;146.12;0.56;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_Na";;;;;;;0.04;;-6.94;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM404011;MM404011;C#CCCNC(C#C)CN;LGSSXLFEPMJTHS-UHFFFAOYSA-N;136.2;-0.44;;;;;DOPC;MDCG;27;1;"MARTINI bead: P3_C5";;;;;;;-0.33;;-3.73;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM404012;MM404012;NC(=O)C(O)C(=O)O;PGMCNXYKUCFNTA-UHFFFAOYSA-N;119.08;-2.08;;;;;DOPC;MDCG;27;0;"MARTINI bead: P4_P1";;;;;;;-2.01;;-8.93;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM404013;MM404013;C#CCCOC(C#C)CC;WVNVHTJMGCTKIW-UHFFFAOYSA-N;136.19;1.44;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_C5";;;;;;;1.64;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM404014;MM404014;CC(O)C(=O)C=CC(=O)O;WJXCBIWSRLWPRM-UHFFFAOYSA-N;144.13;-0.42;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_Nda";;;;;;;-0.24;;-7.64;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM404015;MM404015;C#CCCOC(C#C)CF;QXLDAPNMXQBMHQ-UHFFFAOYSA-N;140.16;1;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_Na";;;;;;;0.87;;-2.22;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM404016;MM404016;C#Cc1nnc(O)o1;CVFBOFJFDWKKHG-UHFFFAOYSA-N;110.07;-0.24;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP1_SP1";;;;;;;-0.79;;-7.55;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM404017;MM404017;C#CCCOC(C#C)OC;MGXLLKIVRMPLKP-UHFFFAOYSA-N;138.17;0.63;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_Na";;;;;;;0.87;;-2.22;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM404018;MM404018;C=CC1C=C(C)N(C)C1=N;VRUFHYIDCSESFJ-UHFFFAOYSA-N;136.2;1.62;;;;;DOPC;MDCG;27;1;"MARTINI bead: SNd_SN0";;;;;;;1.17;;-4.49;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM404019;MM404019;C=CC(C=C)CCCCC;NJCVSTPVBLDXSE-UHFFFAOYSA-N;138.25;3.55;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1_C1";;;;;;;4.95;;0.69;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM404020;MM404020;C=CC1C=C(C)N(N)C1=N;GJKJCFPMLHTPDN-UHFFFAOYSA-N;137.19;0.86;;;;;DOPC;MDCG;27;1;"MARTINI bead: SN0_SP1";;;;;;;0.34;;-3.73;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM404021;MM404021;C=CC(C=C)CCCCN;PAELGXFPXMCIOF-UHFFFAOYSA-N;139.24;2.1;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_C2";;;;;;;2.83;;-0.75;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM404022;MM404022;C=C1C(N)C(C)=CN1C=N;GJMBDYQCCQDRNF-UHFFFAOYSA-N;137.19;0.65;;;;;DOPC;MDCG;27;1;"MARTINI bead: SNd_SP2";;;;;;;-0.24;;-5.7;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM404023;MM404023;CCC(C#N)C1NC1C=O;XYGJWNDIZUTKHY-UHFFFAOYSA-N;138.17;0.08;;;;;DOPC;MDCG;27;0;"MARTINI bead: N0_SP2";;;;;;;0.06;;-2.21;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM404024;MM404024;C=C1C(O)C(C)=CN1C=N;VOFGBNCJVYNJOF-UHFFFAOYSA-N;138.17;0.69;;;;;DOPC;MDCG;27;1;"MARTINI bead: SNd_SP2";;;;;;;-0.24;;-5.39;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM404025;MM404025;C=CC(C#N)CCCCC;SGKZCFMKCXIABZ-UHFFFAOYSA-N;137.23;2.89;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1_C5";;;;;;;3.68;;0.46;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM404026;MM404026;C=C(C)C(C)(C)CC(C)O;AVWLSBRVWNTVPK-UHFFFAOYSA-N;142.24;2.36;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda_C1";;;;;;;2.91;;0.57;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM404027;MM404027;CCC=C(C)C(O)C1CC1;RFEOBMNECBSXRW-UHFFFAOYSA-N;140.23;2.11;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_SC5";;;;;;;2.41;;0.64;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM404028;MM404028;C=Cn1cc(C)n(C)c1=N;MCOOSELHZZMBIM-UHFFFAOYSA-N;137.19;0.71;;;;;DOPC;MDCG;27;1;"MARTINI bead: SP1_SP1";;;;;;;-0.79;;-7.42;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM404029;MM404029;C=CC(C=O)CCCCF;PWSVGFRFXVAOSR-UHFFFAOYSA-N;144.19;2.13;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4_Na";;;;;;;2.2;;0.34;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM404030;MM404030;Cn1c(N)cn(C=N)c1=N;SZMLWQJKISSBDH-UHFFFAOYSA-N;139.16;-0.66;;;;;DOPC;MDCG;27;1;"MARTINI bead: SP2_SP3";;;;;;;-2.2;;-8.42;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM404031;MM404031;CCCCCC(C#N)C#N;HMPREYSQSBAVPJ-UHFFFAOYSA-N;136.2;2.23;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1_P2";;;;;;;1.8;;0.4;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM404032;MM404032;C=Cn1cc(C)n(N)c1=N;QAWYVUJPFRRYCF-UHFFFAOYSA-N;138.17;-0.11;;;;;DOPC;MDCG;27;1;"MARTINI bead: SP1_SP2";;;;;;;-1.06;;-7.48;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM404033;MM404033;C=CC(C=C)CCCNC;SMESZFFQGIGDMI-UHFFFAOYSA-N;139.24;1.97;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1_C1";;;;;;;2.08;;-1.49;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM404034;MM404034;N=Cn1cc(N)n(O)c1=N;OEVZSOYJUWGUDW-UHFFFAOYSA-N;141.13;-0.96;;;;;DOPC;MDCG;27;1;"MARTINI bead: SP2_SP3";;;;;;;-2.2;;-6.46;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM404035;MM404035;C=CC(C=C)CCCOC;VYBISYGEAFIHEL-UHFFFAOYSA-N;140.23;2.4;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_C2";;;;;;;2.83;;0.35;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM404036;MM404036;C=Nn1cc(C)n(C)c1=N;PKCSYBSKHFQHNE-UHFFFAOYSA-N;138.17;0.08;;;;;DOPC;MDCG;27;1;"MARTINI bead: SP1_SNd";;;;;;;0.04;;-4.49;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM404037;MM404037;C=CC(C=O)CCCOC;ABFVAFDUWHXFFU-UHFFFAOYSA-N;142.2;1.41;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_Na";;;;;;;0.87;;-2.22;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM404038;MM404038;C=Nn1cc(F)n(N)c1=O;BKGPCMXIFOKRSD-UHFFFAOYSA-N;144.11;-1.03;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP2_SP1";;;;;;;-1.06;;-3.82;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM404039;MM404039;COCCCC(C#N)C#N;MQKWQFCHTGRITC-UHFFFAOYSA-N;138.17;1.08;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_N0";;;;;;;0.34;;-1.53;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM404040;MM404040;C=Cn1nc(C)n(C)c1=N;OYHLXVGZXGCGIU-UHFFFAOYSA-N;138.17;0.11;;;;;DOPC;MDCG;27;1;"MARTINI bead: SP1_SP2";;;;;;;-1.06;;-4.84;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM404041;MM404041;C=CC(C=O)CCNCC;DZFQZMXUEBKNKW-UHFFFAOYSA-N;141.21;0.99;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_Na";;;;;;;0.87;;-4.84;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM404042;MM404042;Cc1nn(C=O)c(=N)n1C;OFSMQFJZCNQDCL-UHFFFAOYSA-N;140.15;-0.95;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP4_SP1";;;;;;;-2.01;;-5.13;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM404043;MM404043;C=CC(C#N)CCNCC;OPLZSALWLLYVPV-UHFFFAOYSA-N;138.21;1.31;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_C5";;;;;;;1.64;;-2.15;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM404044;MM404044;C=Cn1nc(N)n(C)c1=N;QBOFJUUNHDFGIU-UHFFFAOYSA-N;139.16;-0.62;;;;;DOPC;MDCG;27;1;"MARTINI bead: SP2_SP2";;;;;;;-1.34;;-6.76;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM404045;MM404045;CCNCCC(C#N)C=O;MNXQXRZLBLXNCA-UHFFFAOYSA-N;140.19;0.32;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1_Na";;;;;;;0.04;;-4.48;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM404046;MM404046;C=CC(C)(CC)CC(C)O;UYIMXVPEASDFDM-UHFFFAOYSA-N;142.24;2.36;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1_Nda";;;;;;;2.91;;0.57;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM404047;MM404047;C=CC(C=C)CCOCC;GNAFLKUUQIBSDZ-UHFFFAOYSA-N;140.23;2.4;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_C2";;;;;;;3.6;;0.34;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM404048;MM404048;NN=c1nncc(O)o1;DTJJQYMLEKYDPK-UHFFFAOYSA-N;128.09;-1.45;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP3_SP3";;;;;;;-3.07;;-10.07;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM404049;MM404049;C=CC(C=O)CCOCC;UZOQAURRSUZXFK-UHFFFAOYSA-N;142.2;1.41;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_Na";;;;;;;1.64;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM404050;MM404050;Cc1nn(C=O)c(=N)n1N;NBYIYINDLAVBBS-UHFFFAOYSA-N;141.13;-1.78;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP1_SP3";;;;;;;-1.93;;-4.72;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM404051;MM404051;C=CC(C#N)CCOCC;QKAWDFFNOQONLV-UHFFFAOYSA-N;139.2;1.74;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_C5";;;;;;;1.64;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM404052;MM404052;C=Cn1nc(N)n(N)c1=N;XJGQBAYTDRXOMD-UHFFFAOYSA-N;140.15;-1.44;;;;;DOPC;MDCG;27;1;"MARTINI bead: SP3_SP3";;;;;;;-3.07;;-8.54;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM404053;MM404053;CCOCCC(C=O)C=O;APMBPMYFTFEZPE-UHFFFAOYSA-N;144.17;0.43;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_Na";;;;;;;0.87;;-2.22;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM404054;MM404054;N=Cn1nc(N)n(N)c1=N;HLPXRIRBNFTAIO-UHFFFAOYSA-N;141.14;-2.08;;;;;DOPC;MDCG;27;1;"MARTINI bead: SP3_SP4";;;;;;;-3.15;;-8.91;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM404055;MM404055;CCOCCC(C#N)C=O;GNPWBUMQXPXWPY-UHFFFAOYSA-N;141.17;0.75;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_Na";;;;;;;0.87;;-2.22;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM404056;MM404056;CCC1(CC)CC(C)(O)C1;DPAYSHQKRJQANB-UHFFFAOYSA-N;142.24;2.34;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC1_SNda";;;;;;;2.91;;0.57;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM404057;MM404057;CCOCCC(C#N)C#N;CNHDNVADZDLTEU-UHFFFAOYSA-N;138.17;1.08;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_P2";;;;;;;0.54;;-1.09;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM404058;MM404058;N#CC(=NO)C(C#N)CO;RYYMQZVCJAAAGR-UHFFFAOYSA-N;139.11;-0.53;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_P2";;;;;;;-1.34;;-8.66;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM404059;MM404059;C=CC(C=C)CNCCF;BIBDILSXJJQPMZ-UHFFFAOYSA-N;143.21;1.53;;;;;DOPC;MDCG;27;1;"MARTINI bead: C5_Nd";;;;;;;1.64;;-1.54;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM404060;MM404060;C=Cn1nc(C)n(C)c1=O;FVSOVROHCHWASY-UHFFFAOYSA-N;139.16;-0.01;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP1_SP2";;;;;;;-1.06;;-3.82;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM404061;MM404061;C=CC(C=O)CNCCC;OVVHILCYTOKLCK-UHFFFAOYSA-N;141.21;0.99;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_Na";;;;;;;0.87;;-4.56;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM404062;MM404062;Cc1nn(C=N)c(=O)n1C;IBAVSPSUKOLXLU-UHFFFAOYSA-N;140.15;-0.65;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP1_SP3";;;;;;;-1.93;;-4.72;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM404063;MM404063;N#CC(C#N)CNCCO;YNEMUKGJKAPQFU-UHFFFAOYSA-N;139.16;-0.77;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_P2";;;;;;;-1.34;;-4.31;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM404064;MM404064;Cc1nn(C=O)c(=O)n1C;UZEVOLUTCPGJLS-UHFFFAOYSA-N;141.13;-1.07;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP3_SP1";;;;;;;-1.93;;-4.72;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM404065;MM404065;CCC1CCC(C=O)=NN1;ZYXLGZCHVVILOQ-UHFFFAOYSA-N;140.19;0.7;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNd_SP1";;;;;;;0.04;;-2.63;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM404066;MM404066;C=Cn1nc(N)n(C)c1=O;VPSIPWZACNTUFI-UHFFFAOYSA-N;140.15;-0.74;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP2_SP2";;;;;;;-1.34;;-4.31;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM404067;MM404067;C=CC(C=C)COCCC;SXAXLFDYNWBSPG-UHFFFAOYSA-N;140.23;2.4;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_C2";;;;;;;2.83;;0.35;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM404068;MM404068;C=CC#CCCC(C)(C)O;VTYASOAVGBKQRR-UHFFFAOYSA-N;138.21;1.73;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda_C2";;;;;;;2.83;;0.57;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM404069;MM404069;C=CC(C=C)COCCO;NKQPDIRPAZFBKP-UHFFFAOYSA-N;142.2;0.98;;;;;DOPC;MDCG;27;0;"MARTINI bead: P3_C1";;;;;;;0.94;;0.03;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM404070;MM404070;Cn1c(N)nn(C=O)c1=O;BNGGCFFTSPLVEZ-UHFFFAOYSA-N;142.12;-1.8;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP2_SP3";;;;;;;-2.2;;-5.19;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM404071;MM404071;C=CC(C=O)COCCC;MHYBEBKCNLAKOR-UHFFFAOYSA-N;142.2;1.41;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_Na";;;;;;;0.87;;-2.22;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM404072;MM404072;C=NN=CC=C(F)C(=O)O;IXEMMXQNZWZGCO-UHFFFAOYSA-N;144.11;0.61;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_C5";;;;;;;0.81;;-4.87;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM404073;MM404073;C=CC(C#N)COCCC;KVBZSGHUGDYMHE-UHFFFAOYSA-N;139.2;1.74;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_N0";;;;;;;1.17;;-1.18;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM404074;MM404074;C=Cc1noc(O)c1F;CMKCGJRJFAYBCX-UHFFFAOYSA-N;129.09;1.16;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNda_SNa";;;;;;;0.87;;-6.42;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM404075;MM404075;C=CC(C=O)COCCO;INZPDBXOHFQPNA-UHFFFAOYSA-N;144.17;;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_Na";;;;;;;-0.24;;-3.24;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM404076;MM404076;NC1=C(C=O)N=NC1=CO;LBSHFYBEUOZWQV-UHFFFAOYSA-N;139.11;0.22;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP1_SNda";;;;;;;0.04;;-7.12;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM404077;MM404077;CCCOCC(C=O)C=O;MBROXUHMVXFQDE-UHFFFAOYSA-N;144.17;0.43;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_Na";;;;;;;0.87;;-2.22;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM404078;MM404078;C=Cn1nc(C)n(N)c1=O;QWOWBOVPRDRISD-UHFFFAOYSA-N;140.15;-0.83;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP1_SP3";;;;;;;-1.93;;-4.72;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM404079;MM404079;CCCOCC(C#N)C=O;XYOSYXJQNIWHHL-UHFFFAOYSA-N;141.17;0.75;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_Na";;;;;;;0.87;;-2.22;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM404080;MM404080;Cc1nn(C=N)c(=O)n1N;LCYLQWXYLITWAK-UHFFFAOYSA-N;141.13;-1.48;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP1_SP3";;;;;;;-1.93;;-4.72;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM404081;MM404081;N#CC(C#N)COCCO;XRMHFLAFTMVNLG-UHFFFAOYSA-N;140.14;-0.34;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_P2";;;;;;;-1.06;;-3.82;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM404082;MM404082;Cc1nn(C=O)c(=O)n1N;XTTVZPFALSHSSG-UHFFFAOYSA-N;142.12;-1.89;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP1_SP4";;;;;;;-2.01;;-5.13;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM404083;MM404083;O=CC(C=O)COCCF;BCNLWHSOFHAREJ-UHFFFAOYSA-N;148.13;-0.01;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_Na";;;;;;;-0.24;;-3.24;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM404084;MM404084;C=CC(C)(O)CC=CCC;SCJJAMMKFIXWPU-UHFFFAOYSA-N;140.23;2.28;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1_Nda";;;;;;;2.91;;0.57;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM404085;MM404085;C=CC(C=C)COCOC;ATNBPPKALPGIRL-UHFFFAOYSA-N;142.2;1.6;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_C2";;;;;;;2;;0.29;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM404086;MM404086;C=CC(C)(O)CC=CCF;AWMYTEDVZBBWDD-UHFFFAOYSA-N;144.19;1.84;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda_C4";;;;;;;2.2;;0.49;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM404087;MM404087;C=CC(C#N)COCOC;WFIBPKAODKSQPU-UHFFFAOYSA-N;141.17;0.93;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_N0";;;;;;;0.34;;-1.53;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM404088;MM404088;CC(CCF)C(C)(C)CO;VOGHNCYJWDKDLM-UHFFFAOYSA-N;148.22;2;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4_Nda";;;;;;;2.2;;0.49;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM404089;MM404089;COCOCC(C#N)C=O;URBGBPZCDFIAEY-UHFFFAOYSA-N;143.14;-0.05;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_Na";;;;;;;-0.24;;-3.24;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM404090;MM404090;Oc1nn[nH]c1F;XZNXAJLSTRARJN-UHFFFAOYSA-N;103.06;-0.35;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP2_SP1";;;;;;;-1.06;;-8.16;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM404091;MM404091;C=CC(C=C)NCCCC;PKMAPNSQAPKSAN-UHFFFAOYSA-N;139.24;2.12;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_C2";;;;;;;2.83;;0.02;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM404092;MM404092;N=Cn1[nH]nc(N)c1=O;MCNULVCZYJGDTC-UHFFFAOYSA-N;127.11;-1.39;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP2_SP3";;;;;;;-2.2;;-9.28;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM404093;MM404093;C=CC(C=C)NCCCN;OMNYPKSRKBPJJC-UHFFFAOYSA-N;140.23;0.67;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1_Nd";;;;;;;0.04;;-5.14;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM404094;MM404094;CNN=COC=CC(=O)O;OCPGWJUNTVKEMF-UHFFFAOYSA-N;144.13;-0.24;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_P1";;;;;;;-0.79;;-7.55;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM404095;MM404095;C=CC(C=C)NCCCF;SSQODITYUUFDIQ-UHFFFAOYSA-N;143.21;1.68;;;;;DOPC;MDCG;27;1;"MARTINI bead: C5_Nd";;;;;;;1.64;;-1.45;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM404096;MM404096;CC(=CC(=O)O)OC=NN;QPIKOLRDGKALQR-UHFFFAOYSA-N;144.13;-0.11;;;;;DOPC;MDCG;27;0;"MARTINI bead: N0_P1";;;;;;;0.34;;-5.93;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM404097;MM404097;C=CC(C#N)NCCCC;PSVPSROQAJUZNA-UHFFFAOYSA-N;138.21;1.45;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nd_N0";;;;;;;1.17;;-1.04;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM404098;MM404098;N=CN=c1nno[nH]1;LBRMZVLLAXBFNM-UHFFFAOYSA-N;113.08;-1.09;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP2_SP2";;;;;;;-1.34;;-8.66;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM404099;MM404099;C=C(C)C1(O)CCC1;YYYJLLQYDWESNI-UHFFFAOYSA-N;112.17;1.48;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNda_SC4";;;;;;;2.2;;0.49;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM404100;MM404100;CCC(=N)NC(=O)C(=O)O;OJGOZWAYNZFUMZ-UHFFFAOYSA-N;144.13;-0.43;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_P5";;;;;;;-0.34;;-6.27;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM404101;MM404101;Nn1[nH]c(F)cc1=O;XIKBNSYOYVREDM-UHFFFAOYSA-N;117.08;-0.97;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP3_SNa";;;;;;;-1.1;;-8.3;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM404102;MM404102;CNCCNC(C#N)C#N;KUNQRDPFVLLLNG-UHFFFAOYSA-N;138.17;-0.79;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1_P2";;;;;;;-1.06;;-5.96;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM404103;MM404103;NN=c1c(O)c(F)on1O;HHZPUBXXLGYGSE-UHFFFAOYSA-N;149.08;-1.06;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP2_SNa";;;;;;;-0.24;;-7.59;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM404104;MM404104;C=CC(C#N)NCCOC;WYKIRDPHODJHHE-UHFFFAOYSA-N;140.19;0.3;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_P1";;;;;;;0.04;;-2.54;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM404105;MM404105;O=c1cnc(=O)[nH]c(O)n1;MPOQQELSEQGLTK-UHFFFAOYSA-N;141.09;-1.77;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP4_SP3";;;;;;;-3.15;;-10.23;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM404106;MM404106;C=CC(C=C)OCCCC;CQNBICVJNMINJB-UHFFFAOYSA-N;140.23;2.54;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1_Na";;;;;;;2.91;;0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM404107;MM404107;CN=c1nn[nH]c(=O)nn1;KSJJKKFWTGTRDO-UHFFFAOYSA-N;140.11;-2.51;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP3_SP4";;;;;;;-3.15;;-10.23;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM404108;MM404108;C=CC(C=C)OCCCO;JUQIILVDPHASCT-UHFFFAOYSA-N;142.2;1.13;;;;;DOPC;MDCG;27;0;"MARTINI bead: P3_C2";;;;;;;0.86;;-0.3;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM404109;MM404109;O=C(O)c1coc(=NO)o1;BTFRMYMNYIGKRD-UHFFFAOYSA-N;145.07;-0.14;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP2_P1";;;;;;;-1.06;;-8.16;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM404110;MM404110;C=CC(C=O)OCCCC;RBDOXCCHYBSUPR-UHFFFAOYSA-N;142.2;1.56;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_Na";;;;;;;0.87;;-2.22;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM404111;MM404111;CNC(=O)CC(=O)C(=O)O;HWLAJEGIIAXIBL-UHFFFAOYSA-N;145.11;-1.22;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_P2";;;;;;;-1.34;;-8.67;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM404112;MM404112;C=CC(C#N)OCCCC;YWUFASMEWAXUND-UHFFFAOYSA-N;139.2;1.88;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_N0";;;;;;;1.17;;-1.18;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM404113;MM404113;C=Nn1nc(N)n(C)c1=N;CMZZNPVEZGNJAC-UHFFFAOYSA-N;140.15;-1.25;;;;;DOPC;MDCG;27;1;"MARTINI bead: SP2_SP3";;;;;;;-2.2;;-6.62;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM404114;MM404114;C=CC(C=O)OCCCO;UZWMLABVXWMZCM-UHFFFAOYSA-N;144.17;0.14;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda_P2";;;;;;;-0.24;;-3.31;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM404115;MM404115;CC#CC1=CC(=CO)N=N1;PKIVVNWCNRKKAL-UHFFFAOYSA-N;134.14;1.76;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC4_SNda";;;;;;;2.2;;-3.68;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM404116;MM404116;CCCCOC(C=O)C=O;XZVUTUFAAKPXKH-UHFFFAOYSA-N;144.17;0.57;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_Na";;;;;;;0.87;;-2.22;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM404117;MM404117;C=Nn1nc(C)n(N)c1=N;GCLHBIOLJPBGMG-UHFFFAOYSA-N;140.15;-1.35;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP1_SP5";;;;;;;-1.94;;-5.95;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM404118;MM404118;O=CC(C=O)OCCCO;RNMIMGLHIIBGOX-UHFFFAOYSA-N;146.14;-0.85;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda_P2";;;;;;;-0.24;;-3.31;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM404119;MM404119;C=Nn1nc(N)n(N)c1=N;JTTYGZMUKXVIKI-UHFFFAOYSA-N;141.14;-2.08;;;;;DOPC;MDCG;27;1;"MARTINI bead: SP3_SP3";;;;;;;-3.07;;-7.59;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM404120;MM404120;N#CC(C=O)OCCCO;IURYLGDGMWXNMP-UHFFFAOYSA-N;143.14;-0.52;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_P1";;;;;;;-0.79;;-3.13;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM404121;MM404121;CONC(=O)C(F)CO;BIKBUEGEWYJODX-UHFFFAOYSA-N;137.11;-1.01;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_P2";;;;;;;-1.34;;-8.67;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM404122;MM404122;N#CC(C#N)OCCCO;FWCWBYOWXPCMJW-UHFFFAOYSA-N;140.14;-0.2;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_P1";;;;;;;-0.79;;-3.13;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM404123;MM404123;C=Nn1nc(C)n(C)c1=O;IQQIGXWRIKXGAX-UHFFFAOYSA-N;140.15;-0.65;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP1_SP2";;;;;;;-1.06;;-3.82;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM404124;MM404124;C=CC(C=O)OCCNC;MYBJDQLKDQUFEI-UHFFFAOYSA-N;143.19;-0.02;;;;;DOPC;MDCG;27;1;"MARTINI bead: P2_Na";;;;;;;-0.24;;-5.41;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM404125;MM404125;C=CC(C)=NN=CC(C)=O;RRTBMXCVDDPCPJ-UHFFFAOYSA-N;138.17;1.21;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_C5";;;;;;;0.81;;-0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM404126;MM404126;C=CC(C#N)OCCNC;RGCIDRKOISZJMK-UHFFFAOYSA-N;140.19;0.3;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_P1";;;;;;;0.04;;-4.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM404127;MM404127;NC(=CC(=O)C(=O)O)CO;HZHCDUZYOKLYKL-UHFFFAOYSA-N;145.11;-1.53;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_P2";;;;;;;-1.34;;-8.67;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM404128;MM404128;COCCOC(C=O)C=O;QLWBIEJWLOXQEG-UHFFFAOYSA-N;146.14;-0.58;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_Na";;;;;;;-0.24;;-3.24;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM404129;MM404129;C=Nn1nc(C)n(N)c1=O;VXNFZJDKHMFCRJ-UHFFFAOYSA-N;141.13;-1.47;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP1_SP3";;;;;;;-1.93;;-4.72;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM404130;MM404130;COCCOC(C#N)C=O;AFEMBFAGILFFPV-UHFFFAOYSA-N;143.14;-0.26;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_P2";;;;;;;-0.24;;-3.24;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM404131;MM404131;C#CC1(C)C(C(C)=O)N1C;JAURPDYFHUDDFH-UHFFFAOYSA-N;137.18;0.28;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_SNd";;;;;;;0.87;;-1.88;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM404132;MM404132;C=CC(C#N)OCOCC;KMPBGXZNGFIXOX-UHFFFAOYSA-N;141.17;1.08;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_N0";;;;;;;0.34;;-1.53;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM404133;MM404133;C=COc1cc(O)on1;POKGMUPLUPIVJB-UHFFFAOYSA-N;127.1;0.9;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNda_SNa";;;;;;;0.87;;-6.43;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM404134;MM404134;C=CN(C=N)CCCCC;GJEMFNKVDCDPAU-UHFFFAOYSA-N;140.23;2.23;;;;;DOPC;MDCG;27;1;"MARTINI bead: C1_P1";;;;;;;2.08;;-2.29;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM404135;MM404135;NC(=CC(=O)O)C(=O)NO;UCCLMFPJDXXGFF-UHFFFAOYSA-N;146.1;-1.58;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_P4";;;;;;;-2.01;;-8.93;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM404136;MM404136;C=CN(C=O)CCCCC;BOBKCLLUECIQLB-UHFFFAOYSA-N;141.21;1.78;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1_P2";;;;;;;1.8;;0.4;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM404137;MM404137;Cc1nnc(=N)oc1O;IISPCJFIQOWOLB-UHFFFAOYSA-N;127.1;-0.44;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP3_SP3";;;;;;;-3.07;;-10.07;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM404138;MM404138;C=CN(C=O)CCCCN;CROYXPILUUVXQC-UHFFFAOYSA-N;142.2;0.33;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_P2";;;;;;;-0.24;;-5.64;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM404139;MM404139;CNn1onc(O)c1=O;ONGSULCAMOTPKN-UHFFFAOYSA-N;131.09;-1.28;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP3_SP1";;;;;;;-1.93;;-8.78;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM404140;MM404140;C=CN(C=O)CCCCO;WUZHWLCLZBFMTG-UHFFFAOYSA-N;143.19;0.36;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda_P2";;;;;;;-0.24;;-3.31;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM404141;MM404141;CNC(=NC=O)OC(C)=O;TZOVFCDRSKYUDR-UHFFFAOYSA-N;144.13;-0.72;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_Na";;;;;;;-0.24;;-3.24;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM404142;MM404142;CCCCCN(C=N)C=N;NPRKQWXQHAIWAJ-UHFFFAOYSA-N;141.22;1.69;;;;;DOPC;MDCG;27;1;"MARTINI bead: C1_P4";;;;;;;0.85;;-2.57;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM404143;MM404143;C=C(F)CCNN=CC=O;YGVHGIPAJQSIDA-UHFFFAOYSA-N;144.15;0.63;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_P1";;;;;;;0.81;;-0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM404144;MM404144;CCCCCN(C=N)C=O;JXXACQVOPLRPQI-UHFFFAOYSA-N;142.2;1.24;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1_P3";;;;;;;0.94;;0.03;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM404145;MM404145;C=C1C(=N)N(CC)C=C1C;PREPWNQKWLCOSE-UHFFFAOYSA-N;136.2;1.76;;;;;DOPC;MDCG;27;1;"MARTINI bead: SNd_SP1";;;;;;;0.04;;-5.65;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM404146;MM404146;N=CN(C=O)CCCCN;DIVXFDAUSZQMGX-UHFFFAOYSA-N;143.19;-0.21;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_P3";;;;;;;-1.1;;-6.4;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM404147;MM404147;C=CC1C=C(C)C(=C)C1=C;MBRMTMXQCFBVND-UHFFFAOYSA-N;132.21;2.86;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC4_SC3";;;;;;;3.9;;0.47;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM404148;MM404148;CNCCCN(C=N)C=O;DUBHCRZSAZNCKG-UHFFFAOYSA-N;143.19;-0.34;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_P3";;;;;;;-1.1;;-6.75;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM404149;MM404149;C=C1C(=N)N(C=N)C=C1F;LVEUILJNDSJWDN-UHFFFAOYSA-N;139.13;1.25;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNa_SP1";;;;;;;0.04;;-2.54;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM404150;MM404150;C=CN(C=O)CCCOC;YACJZIYNRIYMHP-UHFFFAOYSA-N;143.19;0.62;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_Nda";;;;;;;0.04;;-2.73;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM404151;MM404151;CN=c1cc(C)n(C)n1C;CTXNZASQYPCSJF-UHFFFAOYSA-N;139.2;0.2;;;;;DOPC;MDCG;27;1;"MARTINI bead: SN0_SP1";;;;;;;0.34;;-5.24;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM404152;MM404152;COCCCN(C=N)C=O;NXRVCAFEDOSZIY-UHFFFAOYSA-N;144.17;0.09;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_P3";;;;;;;-1.1;;-4.2;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM404153;MM404153;Cc1cc(=NN)n(C)n1C;YLDFPCRZLOATQC-UHFFFAOYSA-N;140.19;-0.55;;;;;DOPC;MDCG;27;1;"MARTINI bead: SN0_SP2";;;;;;;0.06;;-3.74;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM404154;MM404154;C=CN(C=N)CCNCC;CCOIYUHNYYJGDW-UHFFFAOYSA-N;141.22;0.65;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_P2";;;;;;;-0.24;;-6.76;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM404155;MM404155;CC(F)=C(F)C(=NN)NN;XXIYQANYTSPKDJ-UHFFFAOYSA-N;150.13;-0.11;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_P2";;;;;;;0.54;;-1.09;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM404156;MM404156;C=CN(C=O)CCNCC;QFQWEOVGJBUUMZ-UHFFFAOYSA-N;142.2;0.2;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_P2";;;;;;;-0.24;;-5.43;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM404157;MM404157;CN=c1cc(N)n(C)n1C;SKHWOIXVMFEBGH-UHFFFAOYSA-N;140.19;-0.52;;;;;DOPC;MDCG;27;1;"MARTINI bead: SP1_SP1";;;;;;;-0.79;;-6.75;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM404158;MM404158;CCNCCN(C=N)C=N;CSYZYQNLCMANPG-UHFFFAOYSA-N;142.21;0.11;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_P4";;;;;;;-1.19;;-6.67;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM404159;MM404159;Cn1c(N)cc(=NN)n1C;LVRIPQWKHJWZKW-UHFFFAOYSA-N;141.18;-1.28;;;;;DOPC;MDCG;27;1;"MARTINI bead: SP1_SP2";;;;;;;-1.06;;-5.27;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM404160;MM404160;CCNCCN(C=N)C=O;QVSMRDPXDFEZFE-UHFFFAOYSA-N;143.19;-0.34;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_P3";;;;;;;-1.1;;-6.18;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM404161;MM404161;CC(=O)C(C)NN=CCF;RDNOXZKARVADRI-UHFFFAOYSA-N;146.17;0.51;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda_Na";;;;;;;0.87;;-1.99;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM404162;MM404162;CCNCCN(C=O)C=O;VLBPMALJLMYXOB-UHFFFAOYSA-N;144.17;-0.79;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_P4";;;;;;;-1.19;;-7.05;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM404163;MM404163;CN=c1cc(O)n(C)n1C;VLGZBSMSTBEXRD-UHFFFAOYSA-N;141.17;-0.4;;;;;DOPC;MDCG;27;1;"MARTINI bead: SP1_SP1";;;;;;;-0.79;;-5.87;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM404164;MM404164;CCOCCN(C=N)C=O;DASCVJYQNNPTRJ-UHFFFAOYSA-N;144.17;0.09;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_P3";;;;;;;-1.1;;-4.2;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM404165;MM404165;Cn1c(O)cc(=NO)n1C;ULPMKGXIUHEFEP-UHFFFAOYSA-N;143.15;-0.64;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP1_SP2";;;;;;;-1.06;;-3.82;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM404166;MM404166;CCOCCN(C=O)C=O;XSMZPXITAKGXDG-UHFFFAOYSA-N;145.16;-0.36;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_P4";;;;;;;-0.41;;-2.78;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM404167;MM404167;CN=c1cc(F)n(C)n1C;BWKIIYZQBDSEBI-UHFFFAOYSA-N;143.17;0.03;;;;;DOPC;MDCG;27;1;"MARTINI bead: SNa_SP1";;;;;;;0.04;;-4.02;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM404168;MM404168;C=NN(C=N)CCCCC;LSHPGUKEJZRGTB-UHFFFAOYSA-N;141.22;1.7;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1_P2";;;;;;;1.8;;0.42;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM404169;MM404169;Cn1c(F)cc(=NO)n1C;UQFCVOAJXAYWEO-UHFFFAOYSA-N;145.14;-0.21;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNa_SP2";;;;;;;-0.24;;-3.24;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM404170;MM404170;C=NN(C=O)CCCCC;LIGXGXPBLJGRJA-UHFFFAOYSA-N;142.2;1.25;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1_P2";;;;;;;1.8;;0.4;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM404171;MM404171;CN=c1cc(C)n(N)n1C;VNDHVWPPYSGZNR-UHFFFAOYSA-N;140.19;-0.62;;;;;DOPC;MDCG;27;1;"MARTINI bead: SN0_SP2";;;;;;;0.06;;-5.43;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM404172;MM404172;CC(C)(C)NN=CC=O;WHOFLYPDRUYHLF-UHFFFAOYSA-N;128.18;0.56;;;;;DOPC;MDCG;27;0;"MARTINI bead: C3_P1";;;;;;;1.74;;0.29;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM404173;MM404173;Cc1cc(=NN)n(C)n1N;KXUYBJGTGFNMGE-UHFFFAOYSA-N;141.18;-1.38;;;;;DOPC;MDCG;27;1;"MARTINI bead: SN0_SP2";;;;;;;0.06;;-3.28;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM404174;MM404174;C=NN(C=N)CCCOC;FCUXKAYZBMFGCW-UHFFFAOYSA-N;143.19;0.55;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_P2";;;;;;;-0.24;;-3.24;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM404175;MM404175;C=C(C)C1(O)CC1CCC;YTCPKZRHJXCJQG-UHFFFAOYSA-N;140.23;2.11;;;;;DOPC;MDCG;27;0;"MARTINI bead: C3_SNda";;;;;;;2.57;;0.44;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM404176;MM404176;C=NN(C=O)CCCOC;RVJFPMAPKLJILU-UHFFFAOYSA-N;144.17;0.1;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_P2";;;;;;;-0.24;;-3.24;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM404177;MM404177;CN=c1cc(N)n(N)n1C;LZWDYAYDVZYZQY-UHFFFAOYSA-N;141.18;-1.35;;;;;DOPC;MDCG;27;1;"MARTINI bead: SP1_SP2";;;;;;;-1.06;;-6.98;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM404178;MM404178;C=NN(C=O)CCNCC;DTHPMSRBMRZVSU-UHFFFAOYSA-N;143.19;-0.33;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_P2";;;;;;;-0.24;;-4.93;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM404179;MM404179;Cn1c(=NN)cc(N)n1N;LCRUANLASOKNCO-UHFFFAOYSA-N;142.17;-2.1;;;;;DOPC;MDCG;27;1;"MARTINI bead: SP2_SP1";;;;;;;-1.06;;-4.83;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM404180;MM404180;C=NN(C=O)CCOCC;QNXNVYASPAWBSU-UHFFFAOYSA-N;144.17;0.1;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_P2";;;;;;;-0.24;;-3.24;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM404181;MM404181;C=C(CCC)C1(O)CC1C;BZPTWXHGYJNARC-UHFFFAOYSA-N;140.23;2.11;;;;;DOPC;MDCG;27;0;"MARTINI bead: C3_SNda";;;;;;;2.57;;0.44;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM404182;MM404182;C=CN(C=N)NCCCN;QLVZKZCFCWYRJQ-UHFFFAOYSA-N;142.21;-0.11;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_P3";;;;;;;-1.1;;-6.77;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM404183;MM404183;CN=c1cc(F)n(N)n1C;LXDNIYZJHWULII-UHFFFAOYSA-N;144.15;-0.79;;;;;DOPC;MDCG;27;1;"MARTINI bead: SP2_SNda";;;;;;;-0.24;;-4.36;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM404184;MM404184;C=CN(C=N)NCCCO;WKRDNVXKCUAGPP-UHFFFAOYSA-N;143.19;-0.07;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nda_P3";;;;;;;-1.1;;-6.7;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM404185;MM404185;C=NNC(=CC=O)CC#N;UZVDSRFZCRQRJD-UHFFFAOYSA-N;137.14;0.19;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nd_Na";;;;;;;0.87;;-1.88;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM404186;MM404186;C=C1C=CC(O)C1(C)C;TZRIBXUOZWKIHB-UHFFFAOYSA-N;124.18;1.5;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNda_SC1";;;;;;;2.91;;0.57;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM404187;MM404187;CN=c1cc(C)n(O)n1C;MRRCSPCXWVXZAD-UHFFFAOYSA-N;141.17;-0.1;;;;;DOPC;MDCG;27;1;"MARTINI bead: SN0_SP1";;;;;;;0.34;;-3.41;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM404188;MM404188;NCCCNN(C=O)C=O;RBCBIOOLVLPZPH-UHFFFAOYSA-N;145.16;-1.55;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_P3";;;;;;;-1.1;;-6.08;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM404189;MM404189;Cc1cc(=NO)n(C)n1O;WGVWTEMZTSCJSV-UHFFFAOYSA-N;143.15;-0.34;;;;;DOPC;MDCG;27;0;"MARTINI bead: SN0_SP2";;;;;;;0.06;;-2.21;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM404190;MM404190;C=C(C)C(F)C(C)=NN;VYHSYFLYBJABFW-UHFFFAOYSA-N;130.17;1.24;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4_Nd";;;;;;;2.2;;0.32;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM404191;MM404191;CN=c1cc(N)n(O)n1C;PBFDJMHOQUXLPK-UHFFFAOYSA-N;142.16;-0.82;;;;;DOPC;MDCG;27;1;"MARTINI bead: SP2_SP2";;;;;;;-1.34;;-6.11;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM404192;MM404192;C=CN(C=N)NCCNC;KFJXCBSKNGANOG-UHFFFAOYSA-N;142.21;-0.24;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_P3";;;;;;;-1.1;;-6.69;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM404193;MM404193;Cn1c(=NO)cc(N)n1O;FUXUJTJZIBKTLJ-UHFFFAOYSA-N;144.13;-1.06;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP2_SP1";;;;;;;-1.06;;-3.82;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM404194;MM404194;CNCCNN(C=N)C=N;YQBXZFFBGXIIAV-UHFFFAOYSA-N;143.19;-0.77;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_P3";;;;;;;-1.1;;-5.21;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM404195;MM404195;C=NNC(C#CC)=CC=O;JKGBIJVGRXKUIJ-UHFFFAOYSA-N;136.15;0.3;;;;;DOPC;MDCG;27;0;"MARTINI bead: N0_Nda";;;;;;;1.17;;-1.13;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM404196;MM404196;CNCCNN(C=N)C=O;XYTCZOCINZSJGL-UHFFFAOYSA-N;144.18;-1.22;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_P4";;;;;;;-1.19;;-6.7;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM404197;MM404197;CN=c1cc(C)n(C)n1N;MMYQYSLYJFQJOG-UHFFFAOYSA-N;140.19;-0.62;;;;;DOPC;MDCG;27;1;"MARTINI bead: SN0_SP2";;;;;;;0.06;;-3.91;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM404198;MM404198;CNCCNN(C=O)C=O;UCZNNRFVGYYJGF-UHFFFAOYSA-N;145.16;-1.67;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_P3";;;;;;;-1.1;;-5.79;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM404199;MM404199;CN=c1cc(N)n(C)n1N;WIXMBVPANCWYMQ-UHFFFAOYSA-N;141.18;-1.35;;;;;DOPC;MDCG;27;1;"MARTINI bead: SP1_SP2";;;;;;;-1.06;;-5.46;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM404200;MM404200;C=CN(C=N)NCCOC;XAWVPQIGKSQSFS-UHFFFAOYSA-N;143.19;0.19;;;;;DOPC;MDCG;27;1;"MARTINI bead: Na_P3";;;;;;;-1.1;;-6.91;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM404201;MM404201;CNN=c1cnoc(F)n1;HJHMKSUJSTWBLQ-UHFFFAOYSA-N;144.11;-0.76;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP3_SP2";;;;;;;-2.2;;-5.19;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM404202;MM404202;COCCNN(C=N)C=N;ZPFIAIPZGXAELP-UHFFFAOYSA-N;144.18;-0.35;;;;;DOPC;MDCG;27;1;"MARTINI bead: Na_P3";;;;;;;-1.1;;-5.26;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM404203;MM404203;CN=c1cc(C)n(N)n1N;YYWTYSZAIARZOI-UHFFFAOYSA-N;141.18;-1.44;;;;;DOPC;MDCG;27;1;"MARTINI bead: SN0_SP2";;;;;;;0.06;;-3.58;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM404204;MM404204;COCCNN(C=N)C=O;GJZURXSVUMPQBO-UHFFFAOYSA-N;145.16;-0.8;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_P4";;;;;;;-1.19;;-4.76;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM404205;MM404205;Cn1nc(N)c(=O)oc1=N;ITSLWQFOSVKSTN-UHFFFAOYSA-N;142.12;-1.57;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP2_SP3";;;;;;;-2.2;;-5.19;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM404206;MM404206;COCCNN(C=O)C=O;QMLZLCUFVCAPOX-UHFFFAOYSA-N;146.15;-1.25;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_P3";;;;;;;-1.1;;-4.2;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM404207;MM404207;CN=c1cc(N)n(N)n1N;JLAKEIMOXUQGCT-UHFFFAOYSA-N;142.17;-2.17;;;;;DOPC;MDCG;27;1;"MARTINI bead: SP1_SP2";;;;;;;-1.06;;-5.16;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM404208;MM404208;N=CN(C=O)OCCCN;GUSFCOWJIBGQMN-UHFFFAOYSA-N;145.16;-0.67;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_P3";;;;;;;-1.1;;-6.34;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM404209;MM404209;C#CC=C1CC2(O)CC1C2;CQBURVITANAYBO-UHFFFAOYSA-N;134.18;1.09;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNda_SC4";;;;;;;2.2;;0.49;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM404210;MM404210;CC12CC1C1CC1(O)C2;PRTPBVJZRKLPCU-UHFFFAOYSA-N;124.18;1.17;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC5_SNda";;;;;;;1.64;;0.05;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM404211;MM404211;NN=c1cc(O)n(N)n1N;ZVBFMPJGGYOGDE-UHFFFAOYSA-N;144.14;-2.8;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP1_SP3";;;;;;;-1.93;;-4.72;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM404212;MM404212;CNCCON(C=N)C=O;NPWIVJWNDJSYHM-UHFFFAOYSA-N;145.16;-0.8;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_P3";;;;;;;-1.1;;-5.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM404213;MM404213;C#CC(F)C(C)(C#N)NC;HMSAFJTXODKNFT-UHFFFAOYSA-N;140.16;0.46;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_C5";;;;;;;0.54;;-1.09;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM404214;MM404214;CNCCON(C=O)C=O;GAUZKJOSGCNBLL-UHFFFAOYSA-N;146.15;-1.25;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1_P2";;;;;;;-1.06;;-5.79;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM404215;MM404215;CCCCC(C)(CC)CO;DKYDBQBEFXCOJY-UHFFFAOYSA-N;144.26;2.59;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1_C5";;;;;;;3.68;;0.46;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM404216;MM404216;COCCON(C=N)C=O;JVGQXDVULIJYLJ-UHFFFAOYSA-N;146.15;-0.37;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_P3";;;;;;;-1.1;;-4.2;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM404217;MM404217;CCC(C)(CO)CCCF;CLJBUPSQIVIDNP-UHFFFAOYSA-N;148.22;2.14;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_C4";;;;;;;2.97;;0.45;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM404218;MM404218;CCOCON(C=N)C=O;VNWMGUITFZFORL-UHFFFAOYSA-N;146.15;-0.02;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_P3";;;;;;;-1.1;;-4.2;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM404219;MM404219;C=C(CC)CCC(O)CC;PNQHWEFWVJBDIP-UHFFFAOYSA-N;142.24;2.5;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda_C1";;;;;;;2.91;;0.57;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM404220;MM404220;CCOCON(C=O)C=O;HZQAYSIVJDVFSR-UHFFFAOYSA-N;147.13;-0.47;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_P2";;;;;;;-0.24;;-3.24;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM404221;MM404221;C=C(CF)CCC(O)CC;OOCGFONFKYIRSD-UHFFFAOYSA-N;146.21;2.06;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda_C4";;;;;;;2.2;;0.49;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM404222;MM404222;C=CCCCC(C=C)C=C;ZUYKBSURTQCXLN-UHFFFAOYSA-N;136.24;3.33;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1_C2";;;;;;;4.87;;0.53;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM404223;MM404223;CN=c1cc(C)n(C)n1O;KIMLFKWBQUKNOR-UHFFFAOYSA-N;141.17;-0.1;;;;;DOPC;MDCG;27;1;"MARTINI bead: SN0_SP2";;;;;;;0.06;;-4.04;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM404224;MM404224;C=CC(C=C)CCCC=O;YRESBXOWRJDHOP-UHFFFAOYSA-N;138.21;2.34;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1_Na";;;;;;;2.91;;0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM404225;MM404225;Cc1cc(=NO)n(O)n1C;CRSKVRNIPGSVPC-UHFFFAOYSA-N;143.15;-0.34;;;;;DOPC;MDCG;27;0;"MARTINI bead: SN0_SP2";;;;;;;0.06;;-2.21;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM404226;MM404226;C=CC(C=C)CCCC#N;VKHNPCMDDKYKAU-UHFFFAOYSA-N;135.21;2.67;;;;;DOPC;MDCG;27;0;"MARTINI bead: C2_N0";;;;;;;3.13;;0.3;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM404227;MM404227;CN=c1cc(N)n(C)n1O;XOMFPAGXXAVIQI-UHFFFAOYSA-N;142.16;-0.82;;;;;DOPC;MDCG;27;1;"MARTINI bead: SP1_SP2";;;;;;;-1.06;;-5.59;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM404228;MM404228;C=CCCCC(C=C)C=O;HRKAKOBIXAZFFG-UHFFFAOYSA-N;138.21;2.34;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1_Na";;;;;;;2.91;;0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM404229;MM404229;Cn1c(N)cc(=NO)n1O;ZCAYMPUDSVUYSS-UHFFFAOYSA-N;144.13;-1.06;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP1_SP2";;;;;;;-1.06;;-3.82;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM404230;MM404230;C=CC(C=O)CCCC=O;DRQPDJIDIOTXFO-UHFFFAOYSA-N;140.18;1.36;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_Na";;;;;;;0.87;;-2.22;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM404231;MM404231;CC=C(C)CCC(O)CC;FWNFTLPLOXETQN-UHFFFAOYSA-N;142.24;2.5;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda_C1";;;;;;;2.91;;0.57;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM404232;MM404232;C=CC(C=O)CCCC#N;VZAABNDGNWYXJE-UHFFFAOYSA-N;137.18;1.68;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_N0";;;;;;;1.17;;-1.18;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM404233;MM404233;CN=c1cc(C)n(N)n1O;ZZEKDSUAAOCTIE-UHFFFAOYSA-N;142.16;-0.92;;;;;DOPC;MDCG;27;1;"MARTINI bead: SN0_SP2";;;;;;;0.06;;-3.72;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM404234;MM404234;C=CC(C#N)CCCC=O;VKEIJVKTTITREE-UHFFFAOYSA-N;137.18;1.68;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_Na";;;;;;;1.64;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM404235;MM404235;Cc1cc(=NO)n(O)n1N;RONNIORHDNZNTR-UHFFFAOYSA-N;144.13;-1.16;;;;;DOPC;MDCG;27;0;"MARTINI bead: SN0_SP2";;;;;;;0.06;;-2.21;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM404236;MM404236;C=CC(C#N)CCCC#N;IFNXZBSCRWZNMJ-UHFFFAOYSA-N;134.18;2.01;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_P1";;;;;;;0.81;;-0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM404237;MM404237;CN=c1cc(N)n(N)n1O;RYLLFSFIFPFFGH-UHFFFAOYSA-N;143.15;-1.65;;;;;DOPC;MDCG;27;1;"MARTINI bead: SP1_SP2";;;;;;;-1.06;;-5.3;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM404238;MM404238;C=CCCCC(C#N)C#N;XWUHIOCPJGDOBO-UHFFFAOYSA-N;134.18;2.01;;;;;DOPC;MDCG;27;0;"MARTINI bead: C3_P1";;;;;;;1.74;;0.29;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM404239;MM404239;Nc1cc(=NO)n(O)n1N;KLDBRHVHNZRKIL-UHFFFAOYSA-N;145.12;-1.89;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP1_SP2";;;;;;;-1.06;;-3.82;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM404240;MM404240;N#CC(C=O)CCCC=O;DXJPYTFSDIZDCY-UHFFFAOYSA-N;139.15;0.69;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_Na";;;;;;;0.87;;-2.22;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM404241;MM404241;CCC(O)CCC(C)=CF;XXKAGCOEVDYKRP-UHFFFAOYSA-N;146.21;2.41;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda_C4";;;;;;;2.2;;0.49;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM404242;MM404242;N#CCCCC(C#N)C=O;VZZCDVIJGBHXAY-UHFFFAOYSA-N;136.15;1.02;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_P1";;;;;;;0.04;;-2.54;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM404243;MM404243;CCC(=O)CC1(CF)CN1;MYWAKCZOHNSXSD-UHFFFAOYSA-N;145.18;0.67;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_SP1";;;;;;;0.04;;-2.54;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM404244;MM404244;C=CC(C=C)CCNC=N;NCDMBZGIOYNQNI-UHFFFAOYSA-N;138.21;1.56;;;;;DOPC;MDCG;27;1;"MARTINI bead: C1_P3";;;;;;;0.94;;-3.89;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM404245;MM404245;Cc1cc(=NO)n(O)n1O;MQJFOYOFXSNDEW-UHFFFAOYSA-N;145.12;-0.64;;;;;DOPC;MDCG;27;0;"MARTINI bead: SN0_SP2";;;;;;;0.06;;-2.21;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM404246;MM404246;C=C1C=C(C)C(O)C1C;UKUCSKNMBXFZQD-UHFFFAOYSA-N;124.18;1.5;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNda_SC3";;;;;;;2.57;;0.44;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM404247;MM404247;CCN(C)C(C)C(=O)C#N;SFCDPYPJLIQSPM-UHFFFAOYSA-N;140.19;0.42;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_P1";;;;;;;0.81;;-0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM404248;MM404248;C=CC(C#N)CCNC=O;MSAHOWGLXKXEPO-UHFFFAOYSA-N;138.17;0.45;;;;;DOPC;MDCG;27;0;"MARTINI bead: N0_P1";;;;;;;0.34;;-1.53;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM404249;MM404249;Nc1cc(=NO)n(O)n1O;HVXHVMJPNOAWJA-UHFFFAOYSA-N;146.11;-1.36;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP1_SP2";;;;;;;-1.06;;-3.82;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM404250;MM404250;N=CNCCC(C=O)C=O;DFVHXGIFMJJKTB-UHFFFAOYSA-N;142.16;-0.41;;;;;DOPC;MDCG;27;1;"MARTINI bead: P3_Na";;;;;;;-1.1;;-8.27;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM404251;MM404251;CC=C(F)C(=O)C=NNC;QDISHCDDLFGFDC-UHFFFAOYSA-N;144.15;0.63;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_C4";;;;;;;1.37;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM404252;MM404252;N#CC(C=O)CCNC=N;NFFHQUHFBBOVSR-UHFFFAOYSA-N;139.16;-0.09;;;;;DOPC;MDCG;27;1;"MARTINI bead: P3_Na";;;;;;;-1.1;;-8.17;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM404253;MM404253;C=C(C=NNC=NN)CF;ADSMBKLNBQJTHY-UHFFFAOYSA-N;144.15;-0.01;;;;;DOPC;MDCG;27;0;"MARTINI bead: P4_C4";;;;;;;0.15;;-2.18;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM404254;MM404254;N#CC(C=O)CCNC=O;YFKNRYYMGGQWFX-UHFFFAOYSA-N;140.14;-0.54;;;;;DOPC;MDCG;27;0;"MARTINI bead: P3_Na";;;;;;;-1.1;;-4.2;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM404255;MM404255;CN=c1nc(C)n(C)n1C;LLQFFZPCAPRSGA-UHFFFAOYSA-N;140.19;-0.4;;;;;DOPC;MDCG;27;1;"MARTINI bead: SP2_SP1";;;;;;;-1.06;;-8.48;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM404256;MM404256;Cc1nc(=NN)n(C)n1C;GAKJLKWXVPESLG-UHFFFAOYSA-N;141.18;-1.16;;;;;DOPC;MDCG;27;1;"MARTINI bead: SP1_SP3";;;;;;;-1.93;;-7.65;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM404257;MM404257;C=CC(C=C)CCNN=C;MXJXQRZDIVKURN-UHFFFAOYSA-N;138.21;1.57;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1_P2";;;;;;;1.8;;0.41;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM404258;MM404258;CN=c1nc(N)n(C)n1C;ZSLGQYCCRZRLPN-UHFFFAOYSA-N;141.18;-1.13;;;;;DOPC;MDCG;27;1;"MARTINI bead: SP2_SP2";;;;;;;-1.34;;-8.56;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM404259;MM404259;Nc1noc(=O)nc1N;HYIREFKLOBDNOC-UHFFFAOYSA-N;128.09;-1.41;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP3_SP3";;;;;;;-3.07;;-6.15;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM404260;MM404260;Cn1c(N)nc(=NN)n1C;KSUUMRAVJMZKIO-UHFFFAOYSA-N;142.17;-1.88;;;;;DOPC;MDCG;27;1;"MARTINI bead: SP2_SP2";;;;;;;-1.34;;-8.33;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM404261;MM404261;C=COCCC(C=C)C=C;GNSJRLHCPYOWSH-UHFFFAOYSA-N;138.21;2.52;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_C1";;;;;;;2.91;;0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM404262;MM404262;C=CC(C=C)CCOC=O;PIVHRTMRGLNFIB-UHFFFAOYSA-N;140.18;1.54;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1_P1";;;;;;;2.08;;0.48;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM404263;MM404263;Cn1c(N)nc(=NO)n1C;VYHUNAGCJBAMHI-UHFFFAOYSA-N;143.15;-1.37;;;;;DOPC;MDCG;27;1;"MARTINI bead: SP2_SP2";;;;;;;-1.34;;-8.8;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM404264;MM404264;C=COCCC(C=C)C=O;MVSYBAGXLBIINN-UHFFFAOYSA-N;140.18;1.54;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_Na";;;;;;;1.64;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM404265;MM404265;Oc1ccn[nH]1;XBYRMPXUBGMOJC-UHFFFAOYSA-N;84.08;0.12;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP1_SNda";;;;;;;0.04;;-7.12;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM404266;MM404266;C=COCCC(C#N)C=C;DTLSUWAATTYRIB-UHFFFAOYSA-N;137.18;1.86;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_C5";;;;;;;1.64;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM404267;MM404267;CN=c1nc(C)n(N)n1C;ZSZOSLAHXWRLRA-UHFFFAOYSA-N;141.18;-1.23;;;;;DOPC;MDCG;27;1;"MARTINI bead: SP1_SP2";;;;;;;-1.06;;-7.89;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM404268;MM404268;C=CC(C#N)CCOC=O;BXCQZDWDPVKCGD-UHFFFAOYSA-N;139.15;0.88;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_P1";;;;;;;0.81;;-0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM404269;MM404269;Cc1nc(=NN)n(C)n1N;KHJNXTRSOKJRPV-UHFFFAOYSA-N;142.17;-1.98;;;;;DOPC;MDCG;27;1;"MARTINI bead: SP2_SP3";;;;;;;-2.2;;-7.36;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM404270;MM404270;C=COCCC(C#N)C#N;MTLYZZDFPMNBIC-UHFFFAOYSA-N;136.15;1.2;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_P2";;;;;;;0.54;;-1.09;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM404271;MM404271;CN=c1nc(N)n(N)n1C;HCTNQIWEQPSXQD-UHFFFAOYSA-N;142.17;-1.95;;;;;DOPC;MDCG;27;1;"MARTINI bead: SP2_SP2";;;;;;;-1.34;;-9.32;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM404272;MM404272;C=CC(C=C)CCON=C;FTZZQLSRVAZPIQ-UHFFFAOYSA-N;139.2;2;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1_P1";;;;;;;2.08;;0.48;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM404273;MM404273;Cn1c(=NN)nc(N)n1N;SRXBOUSEVLAKTB-UHFFFAOYSA-N;143.15;-2.71;;;;;DOPC;MDCG;27;1;"MARTINI bead: SP3_SP2";;;;;;;-2.2;;-9.32;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM404274;MM404274;C=CC(C#N)CCON=C;NGTIALZYYOBMID-UHFFFAOYSA-N;138.17;1.33;;;;;DOPC;MDCG;27;0;"MARTINI bead: N0_Na";;;;;;;1.17;;-1.18;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM404275;MM404275;Cn1c(=NO)nc(N)n1N;ZLNFBHPIVFJNIX-UHFFFAOYSA-N;144.14;-2.19;;;;;DOPC;MDCG;27;1;"MARTINI bead: SP2_SP3";;;;;;;-2.2;;-9.17;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM404276;MM404276;C=NOCCC(C=O)C=O;OHEKZRVVTSHJAP-UHFFFAOYSA-N;143.14;0.02;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_Na";;;;;;;0.04;;-2.54;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM404277;MM404277;CC(C(=O)O)C(=O)NN;QSUZSVISZFSEIC-UHFFFAOYSA-N;132.12;-1.3;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda_P4";;;;;;;-1.19;;-8.42;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM404278;MM404278;C=NOCCC(C#N)C#N;BRWTVQSOCFTDFT-UHFFFAOYSA-N;137.14;0.67;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_N0";;;;;;;0.34;;-1.53;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM404279;MM404279;CN=c1nc(C)n(O)n1C;VKBSMGZPGPTMAP-UHFFFAOYSA-N;142.16;-0.7;;;;;DOPC;MDCG;27;1;"MARTINI bead: SP2_SP1";;;;;;;-1.06;;-6.04;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM404280;MM404280;C=CC(C=C)CNCC#N;WDTWKJKYZUNGHS-UHFFFAOYSA-N;136.2;1.09;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1_P3";;;;;;;0.94;;0.04;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM404281;MM404281;Cc1nc(=NO)n(C)n1O;HRXXXAIWSIOXFB-UHFFFAOYSA-N;144.13;-0.94;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP1_SP3";;;;;;;-1.93;;-4.72;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM404282;MM404282;C#CC(C=C)C(O)CC;ISMZKNKVCLNWOX-UHFFFAOYSA-N;124.18;1.19;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda_C5";;;;;;;1.64;;0.05;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM404283;MM404283;CN=c1nc(N)n(O)n1C;RJQBCUDYSAPZMO-UHFFFAOYSA-N;143.15;-1.43;;;;;DOPC;MDCG;27;1;"MARTINI bead: SP2_SP2";;;;;;;-1.34;;-6.69;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM404284;MM404284;CNC(=N)N(C=O)C=O;NDFPHCYSYLKGPB-UHFFFAOYSA-N;129.12;-1.24;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_P4";;;;;;;-2.29;;-5.95;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM404285;MM404285;Cn1c(=NN)nc(N)n1O;WAVMBMDREIVXNT-UHFFFAOYSA-N;144.14;-2.18;;;;;DOPC;MDCG;27;1;"MARTINI bead: SP3_SP2";;;;;;;-2.2;;-7.31;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM404286;MM404286;C=CC(C#N)CNCC#N;TZLKNCDNCXUKEF-UHFFFAOYSA-N;135.17;0.43;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_P3";;;;;;;-0.33;;-2.01;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM404287;MM404287;N=C(C(=O)O)N(N)C=NO;QLPCKFKHLWXSIQ-UHFFFAOYSA-N;146.11;-1.36;;;;;DOPC;MDCG;27;0;"MARTINI bead: P3_P1";;;;;;;-1.93;;-8.78;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM404288;MM404288;C=CCNCC(C#N)C#N;GYNZQSQQMANZEX-UHFFFAOYSA-N;135.17;0.43;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nd_P2";;;;;;;-0.24;;-3.16;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM404289;MM404289;CN=c1nc(C)n(C)n1N;LLWXCXHWKNDGRC-UHFFFAOYSA-N;141.18;-1.23;;;;;DOPC;MDCG;27;1;"MARTINI bead: SP1_SP2";;;;;;;-1.06;;-6.87;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM404290;MM404290;N#CCNCC(C=O)C=O;FIVHXBMADDACDF-UHFFFAOYSA-N;140.14;-0.89;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_P2";;;;;;;-0.24;;-3.24;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM404291;MM404291;Cc1nc(=NN)n(N)n1C;GSZZJNKYLZKTHI-UHFFFAOYSA-N;142.17;-1.98;;;;;DOPC;MDCG;27;1;"MARTINI bead: SP1_SP3";;;;;;;-1.93;;-5.85;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM404292;MM404292;C#CC(=CC)CC(C)(C)O;XQZRMWDXSBNSBP-UHFFFAOYSA-N;138.21;1.73;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4_Nda";;;;;;;2.2;;0.49;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM404293;MM404293;CC=CCNN=C(C)C=O;APHYLPGSFOBMTD-UHFFFAOYSA-N;140.19;0.73;;;;;DOPC;MDCG;27;0;"MARTINI bead: C2_P1";;;;;;;2;;0.29;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM404294;MM404294;N#CC(C#N)CNCC=O;ZDWWZZJKXHXZAV-UHFFFAOYSA-N;137.14;-0.56;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_P2";;;;;;;-1.34;;-4.31;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM404295;MM404295;CN=c1nc(N)n(C)n1N;HRUSKLIPKLMAHK-UHFFFAOYSA-N;142.17;-1.95;;;;;DOPC;MDCG;27;1;"MARTINI bead: SP2_SP2";;;;;;;-1.34;;-8.22;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM404296;MM404296;C=C(CC(O)CC)C(C)C;MEJDJPQEDMHAJJ-UHFFFAOYSA-N;142.24;2.36;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda_C1";;;;;;;2.91;;0.57;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM404297;MM404297;Cn1c(N)nc(=NN)n1N;CVJHDJDZBISSMR-UHFFFAOYSA-N;143.15;-2.71;;;;;DOPC;MDCG;27;1;"MARTINI bead: SP2_SP3";;;;;;;-2.2;;-8.71;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM404298;MM404298;C=CC(C=O)CNNC=N;PYNGVZHLCNICSU-UHFFFAOYSA-N;141.17;-0.31;;;;;DOPC;MDCG;27;1;"MARTINI bead: Na_P4";;;;;;;-1.19;;-7.57;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM404299;MM404299;Cn1c(N)nc(=NO)n1N;RUZWAALGXACWMR-UHFFFAOYSA-N;144.14;-2.19;;;;;DOPC;MDCG;27;1;"MARTINI bead: SP2_SP3";;;;;;;-2.2;;-9.07;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM404300;MM404300;C=CC(C#N)CNNC=O;MUOUDBIQYVLQQZ-UHFFFAOYSA-N;139.16;-0.44;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_P4";;;;;;;-0.41;;-2.78;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM404301;MM404301;CC1CN1CC(=O)O;HLXBHRCFFYSJJE-UHFFFAOYSA-N;115.13;-0.22;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNd_P1";;;;;;;0.04;;-7.04;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM404302;MM404302;N#CC(C#N)CNNC=N;IVFMJWMRUMGFDL-UHFFFAOYSA-N;137.15;-0.65;;;;;DOPC;MDCG;27;1;"MARTINI bead: P4_P1";;;;;;;-2.01;;-8.08;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM404303;MM404303;CN=c1nc(C)n(N)n1N;IYGVEVJIJMUFKS-UHFFFAOYSA-N;142.17;-2.05;;;;;DOPC;MDCG;27;1;"MARTINI bead: SP1_SP3";;;;;;;-1.93;;-7.07;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM404304;MM404304;O=CNNCC(C=O)C=O;CAEDEKPZIPBLFD-UHFFFAOYSA-N;144.13;-1.75;;;;;DOPC;MDCG;27;0;"MARTINI bead: P4_Na";;;;;;;-1.19;;-4.76;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM404305;MM404305;C=CC1(O)C(C)C1CCC;OJHWGXPIYVGUFO-UHFFFAOYSA-N;140.23;1.97;;;;;DOPC;MDCG;27;0;"MARTINI bead: C3_SNda";;;;;;;2.57;;0.44;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM404306;MM404306;N#CC(C#N)CNNC=O;SPAQKTFSHQFVEY-UHFFFAOYSA-N;138.13;-1.1;;;;;DOPC;MDCG;27;0;"MARTINI bead: P4_P1";;;;;;;-2.01;;-5.13;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM404307;MM404307;CN=c1nc(N)n(N)n1N;UJHPBLSNBCFMLV-UHFFFAOYSA-N;143.15;-2.78;;;;;DOPC;MDCG;27;1;"MARTINI bead: SP2_SP3";;;;;;;-2.2;;-9.32;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM404308;MM404308;C=CCOCC(C=C)C=C;UDINXHGHDUESOB-UHFFFAOYSA-N;138.21;2.18;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_C2";;;;;;;2.83;;0.35;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM404309;MM404309;NN=c1nc(N)n(N)n1N;VYYSACBYCGASBP-UHFFFAOYSA-N;144.14;-3.53;;;;;DOPC;MDCG;27;1;"MARTINI bead: SP2_SP4";;;;;;;-2.29;;-9.32;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM404310;MM404310;C=CC(C=C)COCC#N;DVWJNUBKGKDYJP-UHFFFAOYSA-N;137.18;1.51;;;;;DOPC;MDCG;27;0;"MARTINI bead: C2_P1";;;;;;;2;;0.29;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM404311;MM404311;CC=COCC#CC(=O)O;GRUCREZCBGUXPH-UHFFFAOYSA-N;140.14;0.62;;;;;DOPC;MDCG;27;0;"MARTINI bead: C3_P1";;;;;;;1.74;;-3.72;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM404312;MM404312;C=CCOCC(C=C)C=O;ZIGRFJXDMIJWIA-UHFFFAOYSA-N;140.18;1.19;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_Na";;;;;;;0.87;;-2.22;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM404313;MM404313;C=NNC(CC=NN)=NN;JHDHWKUGMQIRPF-UHFFFAOYSA-N;142.17;-1.2;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nd_P2";;;;;;;-0.24;;-3.16;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM404314;MM404314;C=CCOCC(C#N)C=C;WXPODRMQYLYHBP-UHFFFAOYSA-N;137.18;1.51;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_N0";;;;;;;1.17;;-1.18;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM404315;MM404315;Cc1nc(=NO)n(N)n1O;ZSDFTTDFLUTWMG-UHFFFAOYSA-N;145.12;-1.77;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP1_SP3";;;;;;;-1.93;;-4.72;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM404316;MM404316;C=CC(C#N)COCC=O;BQNYRNWWDKXUIV-UHFFFAOYSA-N;139.15;0.53;;;;;DOPC;MDCG;27;0;"MARTINI bead: N0_P1";;;;;;;0.34;;-1.53;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM404317;MM404317;CN=c1nc(N)n(O)n1N;KHNVXWWRRMDDEX-UHFFFAOYSA-N;144.14;-2.25;;;;;DOPC;MDCG;27;1;"MARTINI bead: SP2_SP3";;;;;;;-2.2;;-7.17;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM404318;MM404318;C=CC(C#N)COCC#N;NJBDYZVEUPNHSY-UHFFFAOYSA-N;136.15;0.85;;;;;DOPC;MDCG;27;0;"MARTINI bead: N0_P1";;;;;;;0.34;;-1.53;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM404319;MM404319;NN=c1nc(N)n(O)n1N;CIAMZKKIGDTYSI-UHFFFAOYSA-N;145.13;-3.01;;;;;DOPC;MDCG;27;1;"MARTINI bead: SP2_SP3";;;;;;;-2.2;;-6.96;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM404320;MM404320;C=CCOCC(C#N)C#N;WUTWZIMOOLTOSR-UHFFFAOYSA-N;136.15;0.85;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4_P2";;;;;;;1.09;;-0.37;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM404321;MM404321;CC(O)(C(=O)O)C(=O)NO;WDTTXAJYHPNGNC-UHFFFAOYSA-N;149.1;-1.67;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_P3";;;;;;;-1.93;;-8.78;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM404322;MM404322;N#CC(C=O)COCC=O;MYMLVWVRTVALNB-UHFFFAOYSA-N;141.13;-0.46;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_Na";;;;;;;-0.24;;-3.24;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM404323;MM404323;CN=c1nc(C)n(C)n1O;KZERCMSQOWEQJN-UHFFFAOYSA-N;142.16;-0.7;;;;;DOPC;MDCG;27;1;"MARTINI bead: SP1_SP2";;;;;;;-1.06;;-6.87;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM404324;MM404324;N#CC(C#N)COCC=O;ONLOHUKFGGGJQJ-UHFFFAOYSA-N;138.13;-0.13;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_P2";;;;;;;-0.24;;-3.24;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM404325;MM404325;Cc1nc(=NN)n(O)n1C;LUPZLUHUHLNAHQ-UHFFFAOYSA-N;143.15;-1.46;;;;;DOPC;MDCG;27;1;"MARTINI bead: SP1_SP3";;;;;;;-1.93;;-5.84;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM404326;MM404326;C=CC(C=C)CONC=N;UWUJFCZIHDOGMV-UHFFFAOYSA-N;140.19;1.1;;;;;DOPC;MDCG;27;1;"MARTINI bead: C2_P3";;;;;;;0.86;;-1.97;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM404327;MM404327;Cc1nc(=NO)n(O)n1C;JACAKOWEIHLLOE-UHFFFAOYSA-N;144.13;-0.94;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP1_SP3";;;;;;;-1.93;;-4.72;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM404328;MM404328;N#CC(C=O)CONC=N;MPICZFQLFJXIKT-UHFFFAOYSA-N;141.13;-0.55;;;;;DOPC;MDCG;27;1;"MARTINI bead: P3_Na";;;;;;;-1.1;;-5.97;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM404329;MM404329;CN=c1nc(N)n(C)n1O;XYBHUGLTADZHHW-UHFFFAOYSA-N;143.15;-1.43;;;;;DOPC;MDCG;27;1;"MARTINI bead: SP2_SP2";;;;;;;-1.34;;-7.24;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM404330;MM404330;N#CC(C#N)CONC=O;IZADHBBAVNXKGI-UHFFFAOYSA-N;139.11;-0.67;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_P1";;;;;;;-1.06;;-3.82;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM404331;MM404331;Cn1c(N)nc(=NN)n1O;ZBCJRBMAHPWVLI-UHFFFAOYSA-N;144.14;-2.18;;;;;DOPC;MDCG;27;1;"MARTINI bead: SP2_SP3";;;;;;;-2.2;;-7.75;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM404332;MM404332;C=CCCNC(C=C)C=C;FUTNNPXQATZZBY-UHFFFAOYSA-N;137.23;1.89;;;;;DOPC;MDCG;27;1;"MARTINI bead: C4_Nd";;;;;;;2.2;;-1.28;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM404333;MM404333;Cn1[nH]nnc(=N)c1=O;HKOXHNBQQWTFRK-UHFFFAOYSA-N;127.11;-2.02;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP1_SP3";;;;;;;-1.93;;-8.78;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM404334;MM404334;C=CC(C=C)NCCC=O;NUSFRDSFFJQMLP-UHFFFAOYSA-N;139.2;0.91;;;;;DOPC;MDCG;27;1;"MARTINI bead: C2_P3";;;;;;;0.86;;-1.4;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM404335;MM404335;CN=c1nc(C)n(N)n1O;QTFKZJCGOYVCMX-UHFFFAOYSA-N;143.15;-1.53;;;;;DOPC;MDCG;27;1;"MARTINI bead: SP1_SP3";;;;;;;-1.93;;-7.09;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM404336;MM404336;C=CCCNC(C#N)C=C;RNDFDVSMKXKZNW-UHFFFAOYSA-N;136.2;1.23;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nd_N0";;;;;;;1.17;;-1.04;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM404337;MM404337;Cc1nc(=NO)n(O)n1N;DVGKXEKZRJOAFS-UHFFFAOYSA-N;145.12;-1.77;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP1_SP3";;;;;;;-1.93;;-4.72;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM404338;MM404338;C=CC(C=O)NCCC#N;HMDLFKUNSRTTDM-UHFFFAOYSA-N;138.17;0.24;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_Na";;;;;;;-0.24;;-3.24;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM404339;MM404339;CN=c1nc(N)n(N)n1O;YIHXVVOTQFZFEU-UHFFFAOYSA-N;144.14;-2.25;;;;;DOPC;MDCG;27;1;"MARTINI bead: SP2_SP3";;;;;;;-2.2;;-7.96;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM404340;MM404340;N#CCCNC(C=O)C=O;AVYDQBLBPDMXKB-UHFFFAOYSA-N;140.14;-0.74;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_P2";;;;;;;-0.24;;-3.24;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM404341;MM404341;NN=c1nc(N)n(N)n1O;RRCITFSUAQPKAM-UHFFFAOYSA-N;145.13;-3.01;;;;;DOPC;MDCG;27;1;"MARTINI bead: SP2_SP3";;;;;;;-2.2;;-7.72;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM404342;MM404342;CCC(O)CC(C)=C(C)C;ACJHTGGFNPMYQG-UHFFFAOYSA-N;142.24;2.5;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda_C1";;;;;;;2.91;;0.57;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM404343;MM404343;N=c1nc(O)[nH]c(=O)o1;DPCOMXCPOLRYJD-UHFFFAOYSA-N;129.08;-1.45;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP3_SP3";;;;;;;-3.07;;-10.07;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM404344;MM404344;N#CCCNC(C#N)C#N;DMRUHJQIPWPPDO-UHFFFAOYSA-N;134.14;-0.09;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_P2";;;;;;;-1.34;;-4.31;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM404345;MM404345;NN=c1cc(N)ncn1N;PKHUTHNKSJHGIB-UHFFFAOYSA-N;140.15;-2.05;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP1_SP3";;;;;;;-1.93;;-4.72;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM404346;MM404346;C=CCCOC(C=C)C=C;DCQARKDTDSZMPI-UHFFFAOYSA-N;138.21;2.32;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_C2";;;;;;;2.83;;0.35;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM404347;MM404347;CN=c1nc(N)n(O)n1O;XQPFXJPISKTERX-UHFFFAOYSA-N;145.12;-1.73;;;;;DOPC;MDCG;27;1;"MARTINI bead: SP2_SP2";;;;;;;-1.34;;-5.43;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM404348;MM404348;C=CC(C=C)OCCC#N;SBZXIQIFPFGIGY-UHFFFAOYSA-N;137.18;1.66;;;;;DOPC;MDCG;27;0;"MARTINI bead: C2_P2";;;;;;;1.72;;0.27;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM404349;MM404349;CC1=C(O)N=NC1=CO;RVSBDLNFEUBNRE-UHFFFAOYSA-N;126.12;1.64;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNda_SNda";;;;;;;0.87;;-6.51;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM404350;MM404350;C=CCCOC(C=C)C=O;DAJILBOFGKSVJQ-UHFFFAOYSA-N;140.18;1.33;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_Na";;;;;;;0.87;;-2.22;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM404351;MM404351;O=COCC(=NO)C(=O)O;BPGYHSFOYJBWMQ-UHFFFAOYSA-N;147.09;-0.93;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_P1";;;;;;;-0.79;;-7.56;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM404352;MM404352;C=CCCOC(C#N)C=C;PQHZXQRETOKPLH-UHFFFAOYSA-N;137.18;1.66;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_N0";;;;;;;1.17;;-1.18;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM404353;MM404353;N=c1cnncn1C(=O)O;RTWVYARAFROOIK-UHFFFAOYSA-N;140.1;-0.72;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP4_SP2";;;;;;;-2.29;;-9.55;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM404354;MM404354;O=CCCOC(C=O)C=O;FGRXFYKOJMZBOD-UHFFFAOYSA-N;144.13;-0.64;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_Na";;;;;;;0.87;;-2.22;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM404355;MM404355;C=C1C(=CC)C=C(C)C1C;HEASXLLKAUXALF-UHFFFAOYSA-N;134.22;3.08;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC2_SC2";;;;;;;4.78;;0.59;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM404356;MM404356;N#CC(C#N)OCCC=O;ZZXVNKZABBFUMS-UHFFFAOYSA-N;138.13;0.01;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_P2";;;;;;;-0.24;;-3.24;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM404357;MM404357;C=C1C(=NC)N=C(C)N1N;BPVAOHQMNIZARK-UHFFFAOYSA-N;138.17;0.14;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP2_SNd";;;;;;;-0.24;;-3.16;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM404358;MM404358;C=COCOC(C=C)C=C;FNVMVRAVIBXQSE-UHFFFAOYSA-N;140.18;1.86;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_C2";;;;;;;2;;0.29;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM404359;MM404359;C=C1C(=C)C(=NN)C=C1C;ILDIIUGPADEQKR-UHFFFAOYSA-N;134.18;1.37;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC5_SC3";;;;;;;3.34;;0.48;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM404360;MM404360;C=COCOC(C=O)C=O;OKIXPGPNVFLLJH-UHFFFAOYSA-N;144.13;-0.11;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_Na";;;;;;;0.04;;-2.54;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM404361;MM404361;C=C1C(=C)C(=NO)C=C1C;LJLOGOXBLGVNFA-UHFFFAOYSA-N;135.17;1.89;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNda_SC3";;;;;;;2.57;;0.44;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM404362;MM404362;N#CC(C=O)OCOC=O;MFRXRMKBSALBLO-UHFFFAOYSA-N;143.1;-0.78;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_P1";;;;;;;-0.79;;-3.13;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM404363;MM404363;C=C1C(=C)C(=NO)C=C1N;OUGXHSWXLSRATA-UHFFFAOYSA-N;136.15;0.79;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNda_SNd";;;;;;;0.87;;-1.92;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM404364;MM404364;N#CC(C#N)OCOC=O;GMTOBAGXLMUHBF-UHFFFAOYSA-N;140.1;-0.45;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_P1";;;;;;;-0.79;;-3.13;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM404365;MM404365;C=C1C(=C)C(=NC)N=C1C;REUFXXPLOVSYSN-UHFFFAOYSA-N;134.18;1.6;;;;;DOPC;MDCG;27;0;"MARTINI bead: SN0_SC5";;;;;;;1.94;;0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM404366;MM404366;CC1=CC(O)C(C)C1(C)C;NTXTVXJXAHXZFZ-UHFFFAOYSA-N;140.23;1.97;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNda_SC1";;;;;;;2.91;;0.57;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM404367;MM404367;C=C1C(=C)C(=NO)N=C1C;RGZYPMSYUQUKDK-UHFFFAOYSA-N;136.15;1.36;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNda_SC5";;;;;;;1.64;;0.05;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM404368;MM404368;C=CCCCN(C=C)C=O;FJYUEZOQMQNTBR-UHFFFAOYSA-N;139.2;1.55;;;;;DOPC;MDCG;27;0;"MARTINI bead: C3_P2";;;;;;;1.46;;-0.15;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM404369;MM404369;CN=c1nc(C)c(=O)c1=O;CDKNVISJUSEPFA-UHFFFAOYSA-N;138.13;-1.48;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNa_SP1";;;;;;;0.04;;-2.54;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM404370;MM404370;O=CCCCN(C=O)C=O;JWTDDTOLLHRSEL-UHFFFAOYSA-N;143.14;-0.42;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_P2";;;;;;;-0.24;;-3.24;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM404371;MM404371;Cc1nc(=NO)c(=O)c1=O;DMNOIWBYVIZECT-UHFFFAOYSA-N;140.1;-1.72;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNa_SP1";;;;;;;0.04;;-2.54;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM404372;MM404372;N=CNCCN(C=N)C=N;FXKMUKUKZBOSSG-UHFFFAOYSA-N;141.18;-0.3;;;;;DOPC;MDCG;27;1;"MARTINI bead: P3_P2";;;;;;;-2.2;;-9.01;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM404373;MM404373;CCC1=CC(C)C(N)C1C;MOSWFITWFJIMKX-UHFFFAOYSA-N;139.24;1.94;;;;;DOPC;MDCG;27;1;"MARTINI bead: SC1_SNd";;;;;;;2.91;;-0.79;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM404374;MM404374;N=CN(C=N)CCNC=O;XXNWZAFQBYFDGE-UHFFFAOYSA-N;142.16;-0.75;;;;;DOPC;MDCG;27;1;"MARTINI bead: P2_P3";;;;;;;-2.2;;-6.93;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM404375;MM404375;C#CC(C#N)NCCCC;STUSENRUCJZXGV-UHFFFAOYSA-N;136.2;0.9;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nd_N0";;;;;;;1.17;;-1.04;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM404376;MM404376;O=CNCCN(C=O)C=O;RIGKXRZVPGKZBF-UHFFFAOYSA-N;144.13;-1.65;;;;;DOPC;MDCG;27;0;"MARTINI bead: P3_P2";;;;;;;-2.2;;-5.19;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM404377;MM404377;CC1C=C(CN)C(C)C1O;VSOITMMZGAYKFJ-UHFFFAOYSA-N;141.21;0.52;;;;;DOPC;MDCG;27;1;"MARTINI bead: SC4_SNda";;;;;;;2.2;;-1.19;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM404378;MM404378;N=CN(C=N)CCOC=O;SAPJJARADJJCLB-UHFFFAOYSA-N;143.15;-0.32;;;;;DOPC;MDCG;27;1;"MARTINI bead: P2_P1";;;;;;;-1.06;;-5.31;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM404379;MM404379;C=COCCN(C=N)C=O;BIYMZCVKPBNABK-UHFFFAOYSA-N;142.16;0.21;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_P4";;;;;;;-0.41;;-2.78;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM404380;MM404380;N=CN(C=O)CCOC=O;PHLSNDSAMGJSHL-UHFFFAOYSA-N;144.13;-0.78;;;;;DOPC;MDCG;27;0;"MARTINI bead: P3_P1";;;;;;;-1.93;;-4.72;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM404381;MM404381;C=COCCN(C=O)C=O;LRJAUSITBFIOAU-UHFFFAOYSA-N;143.14;-0.24;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_P4";;;;;;;-0.41;;-2.78;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM404382;MM404382;C=NOCCN(C=N)C=O;NOXBFOOVCCLVFJ-UHFFFAOYSA-N;143.15;-0.32;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_P2";;;;;;;-1.06;;-3.82;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM404383;MM404383;C=NOCCN(C=O)C=O;UVCZEINBFUOPKT-UHFFFAOYSA-N;144.13;-0.77;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_P2";;;;;;;-1.06;;-3.82;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM404384;MM404384;C=C(CC)C1C(O)C1(C)C;KINRKNIENXMGGI-UHFFFAOYSA-N;140.23;1.97;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1_SNda";;;;;;;2.91;;0.57;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM404385;MM404385;C=COCCN(C=N)N=C;RBXOWHQOUWUZTJ-UHFFFAOYSA-N;141.17;0.67;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_P2";;;;;;;-0.24;;-3.24;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM404386;MM404386;C=NN(C=N)CCOC=O;QYAFMSUPCWDOKX-UHFFFAOYSA-N;143.15;-0.32;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_P1";;;;;;;-1.06;;-3.82;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM404387;MM404387;C=NN(C=O)CCOC=O;UVNSHDOUOANVDF-UHFFFAOYSA-N;144.13;-0.77;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_P1";;;;;;;-1.06;;-3.82;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM404388;MM404388;C=NOCCN(C=O)N=C;WVUQRYVLSOCBNN-UHFFFAOYSA-N;143.15;-0.31;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_P2";;;;;;;-0.24;;-3.24;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM404389;MM404389;C=CN(C=N)NCCC#N;ANANUIJLGSXJNP-UHFFFAOYSA-N;138.17;0.46;;;;;DOPC;MDCG;27;1;"MARTINI bead: N0_P3";;;;;;;-0.8;;-5.71;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM404390;MM404390;C=CN(C=N)OCCC=O;YHERXAHMUHCPAY-UHFFFAOYSA-N;142.16;0.56;;;;;DOPC;MDCG;27;1;"MARTINI bead: P2_Na";;;;;;;-0.24;;-4.59;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM404391;MM404391;C=CN(C=O)OCCC=O;NYGSBUJGMCETBS-UHFFFAOYSA-N;143.14;0.11;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_Na";;;;;;;-0.24;;-3.24;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM404392;MM404392;O=CCCON(C=O)C=O;LVSZPZPBIZEPEU-UHFFFAOYSA-N;145.11;-0.88;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_P2";;;;;;;-0.24;;-3.24;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM404393;MM404393;C=CN(C=N)OCOC=O;CTDFQDOBIMWSIQ-UHFFFAOYSA-N;144.13;0.1;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1_P1";;;;;;;-0.79;;-4.24;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM404394;MM404394;C=COCON(C=O)C=O;FUVXCORHEZCLAA-UHFFFAOYSA-N;145.11;-0.35;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_P2";;;;;;;-0.24;;-3.24;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM404395;MM404395;C=NOCON(C=N)C=O;CDHTUSPUIRWBCZ-UHFFFAOYSA-N;145.12;-0.43;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_P2";;;;;;;-1.34;;-4.31;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM404396;MM404396;C#CCCCC(C=C)C=C;SNGBKONOJRCWMC-UHFFFAOYSA-N;134.22;2.78;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1_C5";;;;;;;3.68;;0.46;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM404397;MM404397;C#CCCCC(C=C)C=O;RMJQOVMJNIJJRC-UHFFFAOYSA-N;136.19;1.79;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_C3";;;;;;;2.57;;0.45;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM404398;MM404398;C#CCCCC(C#N)C=C;PMWWIFDHVWUMOU-UHFFFAOYSA-N;133.19;2.12;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_C5";;;;;;;2.41;;0.64;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM404399;MM404399;C#CCCCC(C#N)C=O;DDOVZDRUGCBQDH-UHFFFAOYSA-N;135.17;1.13;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_C5";;;;;;;1.64;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM404400;MM404400;C#CCCCC(C#N)C#N;LJUDBPKOJCBTOW-UHFFFAOYSA-N;132.17;1.45;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_P1";;;;;;;0.81;;-0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM404401;MM404401;C#CCOCC(C=C)C=O;CBWRBLSUDTVBCO-UHFFFAOYSA-N;138.17;0.64;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_Na";;;;;;;0.87;;-2.22;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM404402;MM404402;C#CCOCC(C#N)C=C;ZRRODVBBBONWMY-UHFFFAOYSA-N;135.17;0.96;;;;;DOPC;MDCG;27;0;"MARTINI bead: N0_Na";;;;;;;1.17;;-1.18;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM404403;MM404403;C#CCOCC(C#N)C=O;IOWPLSRKJKRNNH-UHFFFAOYSA-N;137.14;-0.03;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_P2";;;;;;;-0.24;;-3.24;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM404404;MM404404;C#CCCNC(C=C)C=C;QNSCNYASSWHKLN-UHFFFAOYSA-N;135.21;1.34;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_C5";;;;;;;1.64;;-1.32;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM404405;MM404405;CCCC(O)CC=C(C)C;SJGUJTACWVOWCX-UHFFFAOYSA-N;142.24;2.5;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_C4";;;;;;;2.97;;0.45;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM404406;MM404406;C=C(C(C)C)C(C)C(C)O;KQGZOBPGOJRWIT-UHFFFAOYSA-N;142.24;2.22;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_C1";;;;;;;2.08;;0.48;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM404407;MM404407;C#CCCOC(C=C)C=O;CTMQWUQTKFIIQB-UHFFFAOYSA-N;138.17;0.78;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_C5";;;;;;;0.81;;-0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM404408;MM404408;C#CCCOC(C#N)C=C;MIELHDKJEQDVJL-UHFFFAOYSA-N;135.17;1.1;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_C5";;;;;;;0.81;;-0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM404409;MM404409;C#CCCOC(C#N)C#N;BSLJICJUTRIHPP-UHFFFAOYSA-N;134.14;0.44;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_P2";;;;;;;0.54;;-1.09;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM404410;MM404410;C#CCCCN(C=C)C=N;DTWQKTODSXRVNL-UHFFFAOYSA-N;136.2;1.45;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1_C5";;;;;;;0.81;;-4.38;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM404411;MM404411;C#CCCCN(C=C)C=O;BFDUVKKTKVGZAM-UHFFFAOYSA-N;137.18;1;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_C5";;;;;;;0.54;;-1.09;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM404412;MM404412;C#CCCCN(C=N)C=O;FWZXYDGUYVTLMK-UHFFFAOYSA-N;138.17;0.47;;;;;DOPC;MDCG;27;0;"MARTINI bead: P3_C5";;;;;;;-0.33;;-2.01;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM404413;MM404413;C#CCCCN(C=O)N=C;APTSCRBNKXZHCW-UHFFFAOYSA-N;138.17;0.47;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_N0";;;;;;;0.34;;-1.53;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM404414;MM404414;C#CCCNN(C=C)C=N;IOLHPHSIQXLRBM-UHFFFAOYSA-N;137.19;0.57;;;;;DOPC;MDCG;27;1;"MARTINI bead: P3_C5";;;;;;;-0.33;;-4.74;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM404415;MM404415;C#CCCON(C=C)C=N;OUTAWQQVKWOETP-UHFFFAOYSA-N;138.17;0.99;;;;;DOPC;MDCG;27;1;"MARTINI bead: P2_C5";;;;;;;0.54;;-2.43;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM404416;MM404416;C#CCCON(C=C)C=O;VNKFSDHXDXNWPT-UHFFFAOYSA-N;139.15;0.54;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_C5";;;;;;;0.54;;-1.09;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM404417;MM404417;C#CCCON(C=N)C=O;OKEFEIPZZXOAEN-UHFFFAOYSA-N;140.14;0.01;;;;;DOPC;MDCG;27;0;"MARTINI bead: P3_C5";;;;;;;-0.33;;-2.01;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM404418;MM404418;C#CC(C=C)CCCCC;NFDKVFQNVUKYNX-UHFFFAOYSA-N;136.24;3;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1_C5";;;;;;;3.68;;0.46;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM404419;MM404419;C#CC(C=C)CCCCN;FHQFRTCSHMUSPE-UHFFFAOYSA-N;137.23;1.55;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_C5";;;;;;;1.64;;-2.7;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM404420;MM404420;COC(=NC=N)NN(C)C;LAQSOIKXGXDFLG-UHFFFAOYSA-N;144.18;-0.34;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_P2";;;;;;;-1.06;;-3.82;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM404421;MM404421;C#CC(C=C)CCCCF;DSYRDQPPSYYATO-UHFFFAOYSA-N;140.2;2.56;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4_C5";;;;;;;2.97;;0.45;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM404422;MM404422;C#CC(C=O)CCCCC;HRSYROAJJNVZDF-UHFFFAOYSA-N;138.21;2.02;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1_Na";;;;;;;2.91;;0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM404423;MM404423;C#CC(C#N)CCCCC;BNALRRQQBFNNFO-UHFFFAOYSA-N;135.21;2.34;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1_N0";;;;;;;3.21;;0.46;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM404424;MM404424;C#CC(C#N)CCCCO;OXOQKOFZYLVUJF-UHFFFAOYSA-N;137.18;0.92;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda_N0";;;;;;;1.17;;-1.13;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM404425;MM404425;C#CC(C=C)CCCNC;IPOKGTZOSAGDDK-UHFFFAOYSA-N;137.23;1.42;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_C5";;;;;;;1.64;;-3.02;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM404426;MM404426;C#CC(C=C)CCCOC;GRPYLXQCJGGLMB-UHFFFAOYSA-N;138.21;1.85;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_C4";;;;;;;2.2;;0.34;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM404427;MM404427;C#CC(C=O)CCCOC;DAGAGESEQBPTHL-UHFFFAOYSA-N;140.18;0.86;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_Na";;;;;;;0.87;;-2.22;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM404428;MM404428;C#CC(C#N)CCCOC;VJLMEWNPHZSGBV-UHFFFAOYSA-N;137.18;1.19;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_N0";;;;;;;1.17;;-1.18;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM404429;MM404429;C#CC(C=C)CCNCC;HRINRHRKUFJWQI-UHFFFAOYSA-N;137.23;1.42;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_C4";;;;;;;2.2;;-2.61;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM404430;MM404430;C#CC(C=C)CCOCC;FHRLTQJUXLYCTR-UHFFFAOYSA-N;138.21;1.85;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_C5";;;;;;;2.41;;0.64;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM404431;MM404431;C#CC(C=O)CCOCC;SNTVDVNXDSUGJO-UHFFFAOYSA-N;140.18;0.86;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_Na";;;;;;;0.87;;-2.22;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM404432;MM404432;C#CC(C=C)CNCCC;KWOBYQYAWYPOGQ-UHFFFAOYSA-N;137.23;1.42;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_C5";;;;;;;1.64;;-2.76;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM404433;MM404433;C#CC(C=C)CNCCN;SXEJIFGITHIQKB-UHFFFAOYSA-N;138.21;-0.03;;;;;DOPC;MDCG;27;1;"MARTINI bead: P3_C5";;;;;;;-0.33;;-4.41;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM404434;MM404434;CNN=C(C=O)C=C(C)N;OFPKCSMTKISSDF-UHFFFAOYSA-N;141.17;-0.38;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nd_P2";;;;;;;-0.24;;-3.16;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM404435;MM404435;C#CC(C=C)COCCC;CXAIJIKVSHSQBY-UHFFFAOYSA-N;138.21;1.85;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_C5";;;;;;;1.64;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM404436;MM404436;C#CC(C=C)COCCO;OCSXXUVTLZATPL-UHFFFAOYSA-N;140.18;0.43;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_C5";;;;;;;0.54;;-1.09;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM404437;MM404437;C#CC(C=C)COCCF;XHURLWKFGFSUFU-UHFFFAOYSA-N;142.17;1.41;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_C4";;;;;;;1.09;;-0.38;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM404438;MM404438;C#CC(C=O)COCCC;NEBXLNAXXMBEKO-UHFFFAOYSA-N;140.18;0.86;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_Na";;;;;;;0.87;;-2.22;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM404439;MM404439;C#CC(C#N)COCCC;MLCKKECUEGVDPV-UHFFFAOYSA-N;137.18;1.19;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_N0";;;;;;;1.17;;-1.18;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM404440;MM404440;C#CC(C=C)COCOC;SAXBABHXFQBDIH-UHFFFAOYSA-N;140.18;1.04;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_C5";;;;;;;0.81;;-0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM404441;MM404441;C#CC(C=O)COCOC;BVXILQAKPDXKEE-UHFFFAOYSA-N;142.15;0.06;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_Na";;;;;;;0.04;;-2.54;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM404442;MM404442;C#CC(C=C)NCCCC;AIKOEYKTJNNTSL-UHFFFAOYSA-N;137.23;1.56;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_C5";;;;;;;1.64;;-1.28;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM404443;MM404443;C#CC(C=C)NCCCN;BUOIAVVISHSLRE-UHFFFAOYSA-N;138.21;0.11;;;;;DOPC;MDCG;27;1;"MARTINI bead: P3_C5";;;;;;;-0.33;;-4.44;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM404444;MM404444;C#CC(CC)C(C)C(C)O;JCWFLZUHJBCRDS-UHFFFAOYSA-N;140.23;1.66;;;;;DOPC;MDCG;27;0;"MARTINI bead: C3_Nda";;;;;;;2.57;;0.44;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM404445;MM404445;C#CC(C=C)NCCNC;INTAZCRLDMXDJO-UHFFFAOYSA-N;138.21;-0.02;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1_P1";;;;;;;-0.79;;-5.28;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM404446;MM404446;C#CC(C#N)NCCNC;XTPTVPXXUXTBIB-UHFFFAOYSA-N;137.19;-0.68;;;;;DOPC;MDCG;27;1;"MARTINI bead: P3_N0";;;;;;;-0.8;;-5.1;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM404447;MM404447;C#CC(C=C)OCCCC;ORTWYTFEWWIIKP-UHFFFAOYSA-N;138.21;1.99;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_C5";;;;;;;1.64;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM404448;MM404448;C#CC(C#N)OCCCC;UXGGHHXREYRNBF-UHFFFAOYSA-N;137.18;1.33;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1_P1";;;;;;;2.08;;0.48;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM404449;MM404449;C#CC(C#N)OCCCO;GISBOVYSETYENM-UHFFFAOYSA-N;139.15;-0.09;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda_P2";;;;;;;-0.24;;-3.31;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM404450;MM404450;C#CC(C=C)OCOCC;BMRGZYLPFYIFAV-UHFFFAOYSA-N;140.18;1.18;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_C5";;;;;;;0.81;;-0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM404451;MM404451;C#CC(C#N)OCOCC;VMHYTPVVSIGQAA-UHFFFAOYSA-N;139.15;0.52;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_N0";;;;;;;0.34;;-1.53;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM404452;MM404452;C#CC(C=C)CCCC=C;FZPNGHTVKKKEGA-UHFFFAOYSA-N;134.22;2.78;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1_C5";;;;;;;3.68;;0.46;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM404453;MM404453;C#CC(C=C)CCCC=O;FKFDUEBOBJBDSB-UHFFFAOYSA-N;136.19;1.79;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4_Na";;;;;;;2.2;;0.34;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM404454;MM404454;C#CC(C=C)CCCC#N;ZTPJGBUOQDHMIE-UHFFFAOYSA-N;133.19;2.12;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_N0";;;;;;;1.94;;0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM404455;MM404455;C#CC(C=O)CCCC=C;APIFUIDNRKZPPB-UHFFFAOYSA-N;136.19;1.79;;;;;DOPC;MDCG;27;0;"MARTINI bead: C3_Na";;;;;;;2.57;;0.45;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM404456;MM404456;C#CC(C#N)CCCC=C;YKESUMMWJNVBGP-UHFFFAOYSA-N;133.19;2.12;;;;;DOPC;MDCG;27;0;"MARTINI bead: C3_N0";;;;;;;2.87;;0.37;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM404457;MM404457;C#CC(C=O)CCCC=O;ANSHBLGTMGAMTI-UHFFFAOYSA-N;138.17;0.8;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_Na";;;;;;;0.87;;-2.22;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM404458;MM404458;C#CC(C=O)CCNC=N;ZOLFJWYDYHBKEN-UHFFFAOYSA-N;138.17;0.02;;;;;DOPC;MDCG;27;1;"MARTINI bead: P2_Na";;;;;;;-0.24;;-7.58;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM404459;MM404459;C#CC(C=C)CCNN=C;HWBVUFPYVQUYHB-UHFFFAOYSA-N;136.2;1.02;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4_P2";;;;;;;1.09;;-0.38;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM404460;MM404460;C#CC(C=C)CCOC=C;OCBFMXZNJWQXKV-UHFFFAOYSA-N;136.19;1.97;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_C4";;;;;;;2.2;;0.34;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM404461;MM404461;C#CC(C=C)CCOC=O;JLAVWROLUCZAKW-UHFFFAOYSA-N;138.17;0.98;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4_P1";;;;;;;1.37;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM404462;MM404462;C#CC(C=O)CCOC=C;ZPTJNICEPPTFBS-UHFFFAOYSA-N;138.17;0.98;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_Na";;;;;;;0.87;;-2.22;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM404463;MM404463;C#CC(C#N)CCOC=C;MBDTYWIYEWAJKT-UHFFFAOYSA-N;135.17;1.31;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_N0";;;;;;;1.17;;-1.18;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM404464;MM404464;C#CC(C#N)CCOC=O;OBASLCUUZPUSMG-UHFFFAOYSA-N;137.14;0.32;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_N0";;;;;;;0.34;;-1.53;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM404465;MM404465;C#CC(C=C)CCON=C;QTVCZBQXHOXFKY-UHFFFAOYSA-N;137.18;1.44;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_Na";;;;;;;1.64;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM404466;MM404466;CC=C(CC)C(C)C(C)O;SYECXGVMVFIGGW-UHFFFAOYSA-N;142.24;2.36;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1_P1";;;;;;;2.08;;0.48;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM404467;MM404467;C=NNC=CC(=O)C(=C)F;CPYJEMMXLVVPDQ-UHFFFAOYSA-N;142.13;0.76;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_Nd";;;;;;;0.87;;-1.88;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM404468;MM404468;C#CC(C=C)CNCC=C;FGPKGHHIBZCKBZ-UHFFFAOYSA-N;135.21;1.2;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1_C4";;;;;;;1.37;;-1.99;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM404469;MM404469;C#CC(C#N)CNCC#N;KBRZZPUMIFZFNJ-UHFFFAOYSA-N;133.15;-0.13;;;;;DOPC;MDCG;27;0;"MARTINI bead: N0_P3";;;;;;;-0.8;;-2.99;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM404470;MM404470;C#CC(C=O)CNNC=N;FETNYIIQJGFUEI-UHFFFAOYSA-N;139.16;-0.86;;;;;DOPC;MDCG;27;1;"MARTINI bead: P4_Na";;;;;;;-1.19;;-7.56;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM404471;MM404471;C#CC(C#N)CNNC=N;XRLIPZPLBIOEOZ-UHFFFAOYSA-N;136.16;-0.54;;;;;DOPC;MDCG;27;1;"MARTINI bead: P4_N0";;;;;;;-0.88;;-6.53;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM404472;MM404472;C#CC=C(C)C(O)C(C)C;BVCQNCBAINSPIX-UHFFFAOYSA-N;138.21;1.58;;;;;DOPC;MDCG;27;0;"MARTINI bead: C3_Nda";;;;;;;2.57;;0.44;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM404473;MM404473;C#CC(C=C)COCC=C;QEFYFXMMMAGZQI-UHFFFAOYSA-N;136.19;1.62;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_C5";;;;;;;1.64;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM404474;MM404474;C#CC(C=C)COCC=O;JITCMLLSZIWLDN-UHFFFAOYSA-N;138.17;0.64;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_P1";;;;;;;0.81;;-0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM404475;MM404475;C#CC(C=C)COCC#N;FMVJZFCFXZOLEI-UHFFFAOYSA-N;135.17;0.96;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_P1";;;;;;;0.81;;-0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM404476;MM404476;C#CC(C=O)COCC=C;NCLZFNQKXZYTCC-UHFFFAOYSA-N;138.17;0.64;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_Na";;;;;;;0.87;;-2.22;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM404477;MM404477;C#CC(C#N)COCC=C;DKUWFYSAVOINPO-UHFFFAOYSA-N;135.17;0.96;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_N0";;;;;;;1.17;;-1.18;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM404478;MM404478;C#CC(C=O)COCC#N;MGCQKFGZWUOYGX-UHFFFAOYSA-N;137.14;-0.03;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_Na";;;;;;;-0.24;;-3.24;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM404479;MM404479;C#CC(C#N)COCC#N;WGEZXOTYYWYOCZ-UHFFFAOYSA-N;134.14;0.3;;;;;DOPC;MDCG;27;0;"MARTINI bead: N0_P1";;;;;;;0.34;;-1.53;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM404480;MM404480;C#CC(C=C)CONC=N;AMUIKWGUCJPFAL-UHFFFAOYSA-N;138.17;0.55;;;;;DOPC;MDCG;27;1;"MARTINI bead: C4_P4";;;;;;;0.15;;-3.91;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM404481;MM404481;C#CC(C=O)CONC=N;FTQDEBFMWMDPLU-UHFFFAOYSA-N;140.14;-0.44;;;;;DOPC;MDCG;27;1;"MARTINI bead: P3_Na";;;;;;;-1.1;;-5.97;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM404482;MM404482;C#CC(C#N)CONC=N;KHQJLEPBAFZQSM-UHFFFAOYSA-N;137.14;-0.11;;;;;DOPC;MDCG;27;1;"MARTINI bead: P3_N0";;;;;;;-0.8;;-4.76;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM404483;MM404483;C#CC(C=C)NCCC=C;YOATWBCLSGRGFL-UHFFFAOYSA-N;135.21;1.34;;;;;DOPC;MDCG;27;1;"MARTINI bead: C4_P1";;;;;;;1.37;;-1.25;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM404484;MM404484;CNN=c1cc(F)n(N)o1;IZEYXWCFAYTUOC-UHFFFAOYSA-N;146.13;-1.03;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNa_SP2";;;;;;;-0.24;;-3.24;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM404485;MM404485;C#CC(C=C)OCCC=C;SYNLSOYGOUALSZ-UHFFFAOYSA-N;136.19;1.77;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_C5";;;;;;;1.64;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM404486;MM404486;C#CC(C=C)OCCC=O;PDYBFKNBRACKRX-UHFFFAOYSA-N;138.17;0.78;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_P2";;;;;;;0.54;;-1.09;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM404487;MM404487;C#CC(C=C)OCCC#N;MHIQUWIDXGLHFF-UHFFFAOYSA-N;135.17;1.1;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_P2";;;;;;;0.54;;-1.09;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM404488;MM404488;C#CC(C=O)OCCC=C;XRCQWDLOJVPSCV-UHFFFAOYSA-N;138.17;0.78;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_Na";;;;;;;0.87;;-2.22;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM404489;MM404489;C#CC(C#N)OCCC=C;XCJVJQWFDYXRSE-UHFFFAOYSA-N;135.17;1.1;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_N0";;;;;;;1.17;;-1.18;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM404490;MM404490;C#CC(C=O)OCCC=O;HUWAGDDOIDKGCN-UHFFFAOYSA-N;140.14;-0.21;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_Na";;;;;;;-0.24;;-3.24;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM404491;MM404491;C#CC(C#N)OCOC=C;BJXCJPONMUKIOQ-UHFFFAOYSA-N;137.14;0.65;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_N0";;;;;;;0.34;;-1.53;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM404492;MM404492;C#CC(C=O)OCOC=O;DLWQAYPSUSWNQI-UHFFFAOYSA-N;142.11;-0.67;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_Na";;;;;;;-0.24;;-3.24;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM404493;MM404493;C#CC(C#N)OCOC=O;HTRIRGQBMANQKK-UHFFFAOYSA-N;139.11;-0.34;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_P2";;;;;;;-0.24;;-3.24;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM404494;MM404494;C#CCCCC(C#C)C=C;FOUNUFDKRWRCDH-UHFFFAOYSA-N;132.21;2.23;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4_C5";;;;;;;2.97;;0.45;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM404495;MM404495;C#CCCCC(C#C)C=O;JUYCGGYSYKYKEC-UHFFFAOYSA-N;134.18;1.24;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_C5";;;;;;;1.64;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM404496;MM404496;C#CCNCC(C#C)C=C;MVKXYMBNKKIXBI-UHFFFAOYSA-N;133.19;0.64;;;;;DOPC;MDCG;27;1;"MARTINI bead: C5_P2";;;;;;;0.54;;-2.58;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM404497;MM404497;C#CCOCC(C#C)C=C;NJPFACXPGXQPKL-UHFFFAOYSA-N;134.18;1.07;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_Na";;;;;;;1.64;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM404498;MM404498;CC#Cc1nc(N)n(N)n1;CPJJPLMKESLKRM-UHFFFAOYSA-N;137.15;-1.05;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNa_SP2";;;;;;;-0.24;;-3.24;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM404499;MM404499;C#CCCOC(C#C)C=C;HMUCMOUJLOQRCC-UHFFFAOYSA-N;134.18;1.21;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_Na";;;;;;;1.64;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM404500;MM404500;C#CC(C#C)CCCCC;MPWLZFXOIAXSNO-UHFFFAOYSA-N;134.22;2.45;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1_C5";;;;;;;3.68;;0.46;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM404501;MM404501;C#CC(C#C)CCCCN;YSIIJURKSPTTDR-UHFFFAOYSA-N;135.21;1;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_C5";;;;;;;1.64;;-2.7;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM404502;MM404502;Nc1cc(F)c(N)c(F)c1;XFWCWQUDUPQGKG-UHFFFAOYSA-N;144.12;1.13;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNd_SC5";;;;;;;1.64;;0.02;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM404503;MM404503;CCC(=CCC=CF)CC;JRIQXBUTUAPHDZ-UHFFFAOYSA-N;142.22;3.61;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1_C4";;;;;;;4.24;;0.42;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM404504;MM404504;C#CC(C#C)CCCCF;YUPPEQPFFARAKR-UHFFFAOYSA-N;138.19;2.01;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4_C5";;;;;;;2.97;;0.45;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM404505;MM404505;CC=CCC=C(CC)CN;BCAJORSGQUUQED-UHFFFAOYSA-N;139.24;2.25;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_C2";;;;;;;2.83;;-0.24;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM404506;MM404506;C#CC(C#C)CCNCC;WVYRSDGJGZRNQO-UHFFFAOYSA-N;135.21;0.87;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_C5";;;;;;;1.64;;-3.01;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM404507;MM404507;CCC(=CCC=CF)CN;UPOBVYDGYMVZOH-UHFFFAOYSA-N;143.21;2.15;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_C4";;;;;;;2.2;;-1.67;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM404508;MM404508;C#CC(C#C)CCOCC;TWUKASNZBYTJKZ-UHFFFAOYSA-N;136.19;1.3;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_C5";;;;;;;1.64;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM404509;MM404509;C=C1CCCC1(C)O;GKGNMHZUNRZWDK-UHFFFAOYSA-N;112.17;1.48;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNda_SC4";;;;;;;2.2;;0.49;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM404510;MM404510;C#CC(C#C)CNCCC;CUMMJRWQHIIKRF-UHFFFAOYSA-N;135.21;0.87;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_N0";;;;;;;1.17;;-3.41;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM404511;MM404511;CCCC1(O)CC1C;YHSSRIODGKOGJE-UHFFFAOYSA-N;114.19;1.56;;;;;DOPC;MDCG;27;0;"MARTINI bead: C3_SNda";;;;;;;2.57;;0.44;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM404512;MM404512;C#CC(C#C)COCCC;IFGZMCGMMJZDGU-UHFFFAOYSA-N;136.19;1.3;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_N0";;;;;;;1.17;;-1.18;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM404513;MM404513;CC=CCC=C(CN)CN;XAESEKYJXDEXGR-UHFFFAOYSA-N;140.23;0.8;;;;;DOPC;MDCG;27;1;"MARTINI bead: C2_P5";;;;;;;0.85;;-3.64;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM404514;MM404514;C#CC(C#C)COCCN;HJYKIOLCFCCUAT-UHFFFAOYSA-N;137.18;-0.16;;;;;DOPC;MDCG;27;1;"MARTINI bead: P2_N0";;;;;;;0.06;;-4.25;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM404515;MM404515;CC=CCC=C(CN)CO;VCQHDOONEQIAMA-UHFFFAOYSA-N;141.21;0.83;;;;;DOPC;MDCG;27;1;"MARTINI bead: C2_P4";;;;;;;0.77;;-2.63;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM404516;MM404516;C#CC(C#C)COCCF;BGQOOZKDGSDRSD-UHFFFAOYSA-N;140.16;0.86;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_N0";;;;;;;1.17;;-1.18;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM404517;MM404517;NCC(=CCC=CF)CO;XFMNKCJDOUGLOJ-UHFFFAOYSA-N;145.18;0.74;;;;;DOPC;MDCG;27;1;"MARTINI bead: P4_C4";;;;;;;0.15;;-3.99;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM404518;MM404518;C#CC(C#C)COCOC;PVHHVHJYRKHJFU-UHFFFAOYSA-N;138.17;0.49;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_N0";;;;;;;0.34;;-1.53;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM404519;MM404519;CC=CCC=C(CN)CF;GPOFWHBGLRUWPI-UHFFFAOYSA-N;143.21;1.81;;;;;DOPC;MDCG;27;1;"MARTINI bead: C2_P1";;;;;;;2;;-0.81;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM404520;MM404520;C#CC(C#C)NCCNC;ABMACRVCHIGDCY-UHFFFAOYSA-N;136.2;-0.57;;;;;DOPC;MDCG;27;1;"MARTINI bead: P3_N0";;;;;;;-0.8;;-5.1;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM404521;MM404521;NCC(=CCC=CF)CF;MXBDCBIZCTVNAQ-UHFFFAOYSA-N;147.17;1.71;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1_C4";;;;;;;1.37;;-2.11;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM404522;MM404522;C#CC(C#C)OCCCC;SCVNXIVTSSAGLZ-UHFFFAOYSA-N;136.19;1.44;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1_Na";;;;;;;2.91;;0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM404523;MM404523;CC=CCC=C(CO)CF;GBMJDPVHIWCHHB-UHFFFAOYSA-N;144.19;1.84;;;;;DOPC;MDCG;27;0;"MARTINI bead: C2_Nda";;;;;;;2.83;;0.57;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM404524;MM404524;C#CC(C#C)OCCOC;OCVFRTVZZHJWLA-UHFFFAOYSA-N;138.17;0.28;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_Na";;;;;;;0.87;;-2.22;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM404525;MM404525;CCC(=CCC=NN)CC;KSXWWXKILIACHK-UHFFFAOYSA-N;140.23;2.07;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1_Nd";;;;;;;2.91;;0.64;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM404526;MM404526;C#CC(C#C)OCOCC;KGAKDVMNOQRSIR-UHFFFAOYSA-N;138.17;0.63;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_Na";;;;;;;0.87;;-2.22;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM404527;MM404527;CCC(=CCC=NO)CC;NVEHDQXOLYOCTB-UHFFFAOYSA-N;141.21;2.58;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1_P1";;;;;;;2.08;;0.48;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM404528;MM404528;C#CC(C#C)CCCC=C;UIVJULYTRUEXHJ-UHFFFAOYSA-N;132.21;2.23;;;;;DOPC;MDCG;27;0;"MARTINI bead: C3_C5";;;;;;;3.34;;0.48;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM404529;MM404529;CCC(=CCC=NO)CO;SFSQXXYWOOPLLM-UHFFFAOYSA-N;143.19;1.17;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_P1";;;;;;;0.81;;-0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM404530;MM404530;C#CC(C#C)CCCC=O;KOYFVQVURVZLGP-UHFFFAOYSA-N;134.18;1.24;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_C5";;;;;;;1.64;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM404531;MM404531;CCC1CC1(O)CC;NNWOXVVHNGTGED-UHFFFAOYSA-N;114.19;1.56;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_SNda";;;;;;;1.64;;0.05;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM404532;MM404532;C#CC(C#C)CCCC#N;GFFSJCSKYJLCRL-UHFFFAOYSA-N;131.18;1.56;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_P1";;;;;;;0.81;;-0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM404533;MM404533;OCC(=CCC=NO)CO;WRABAAUCFYKENG-UHFFFAOYSA-N;145.16;-0.25;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_P1";;;;;;;-1.06;;-3.82;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM404534;MM404534;C#CC(C#C)CCNN=C;OITLBTCEEQBLKN-UHFFFAOYSA-N;134.18;0.46;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_C5";;;;;;;0.54;;-1.09;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM404535;MM404535;OCC(=CCC=NO)CF;WGMLTKRLNWFHAW-UHFFFAOYSA-N;147.15;0.72;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda_P1";;;;;;;0.04;;-2.73;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM404536;MM404536;C#CC(C#C)CCOC=C;GPQALUGEJZVYET-UHFFFAOYSA-N;134.18;1.42;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_C5";;;;;;;1.64;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM404537;MM404537;CC=CCC=C(CN)OC;TXXGAMINVPJXIN-UHFFFAOYSA-N;141.21;1.44;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1_C2";;;;;;;2;;-0.16;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM404538;MM404538;C#CC(C#C)CCOC=O;XFLGTXQRLXLXPQ-UHFFFAOYSA-N;136.15;0.43;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_C5";;;;;;;0.81;;-0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM404539;MM404539;CCC(=CCC=NO)OC;NTVLWCTUMKACNW-UHFFFAOYSA-N;143.19;1.78;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4_P1";;;;;;;1.37;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM404540;MM404540;C#CC(C#C)CCON=C;ISQIHZGZKNOEDN-UHFFFAOYSA-N;135.17;0.89;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_C5";;;;;;;0.81;;-0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM404541;MM404541;CCC(=CN=CNN)CC;HZJOHRCYNMQVEP-UHFFFAOYSA-N;141.22;1.18;;;;;DOPC;MDCG;27;1;"MARTINI bead: C1_P4";;;;;;;0.85;;-2.4;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM404542;MM404542;C#CC(C#C)CNCC=C;DCDSFNHGRHBGSX-UHFFFAOYSA-N;133.19;0.64;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_N0";;;;;;;1.17;;-2.6;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM404543;MM404543;CCC(=CN=CNO)CN;BXGNUCTXCDJBJQ-UHFFFAOYSA-N;143.19;0.25;;;;;DOPC;MDCG;27;1;"MARTINI bead: C5_P3";;;;;;;-0.33;;-3.62;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM404544;MM404544;C#CC(C#C)CNNC=N;UYVQNCNONLULSZ-UHFFFAOYSA-N;135.17;-0.43;;;;;DOPC;MDCG;27;1;"MARTINI bead: P4_N0";;;;;;;-0.88;;-6.54;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM404545;MM404545;CCC(=CN=CNN)CO;RPMMAXKZBFHEDN-UHFFFAOYSA-N;143.19;-0.24;;;;;DOPC;MDCG;27;1;"MARTINI bead: C5_P4";;;;;;;-0.41;;-4.37;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM404546;MM404546;C#CC(C#C)COCC=C;XYOADXUMWFAPKD-UHFFFAOYSA-N;134.18;1.07;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_N0";;;;;;;1.17;;-1.18;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM404547;MM404547;CCC(=CN=CNN)CF;ZRCXGHRJUYMNRT-UHFFFAOYSA-N;145.18;0.74;;;;;DOPC;MDCG;27;1;"MARTINI bead: C3_P4";;;;;;;0.52;;-3.12;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM404548;MM404548;C#CC(C#C)COCC=O;SDPIQKQSCCDDSG-UHFFFAOYSA-N;136.15;0.08;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_N0";;;;;;;0.34;;-1.53;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM404549;MM404549;CN=CNC=C(CN)CN;HUQLLKBJYQLOQH-UHFFFAOYSA-N;142.21;-0.96;;;;;DOPC;MDCG;27;1;"MARTINI bead: P2_P5";;;;;;;-2.22;;-9.05;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM404550;MM404550;C#CC(C#C)COCC#N;WKSPIXHSAWMXMK-UHFFFAOYSA-N;133.15;0.41;;;;;DOPC;MDCG;27;0;"MARTINI bead: N0_P1";;;;;;;0.34;;-1.53;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM404551;MM404551;CN=CNC=C(CN)CO;RAYUXPHPYKXLIX-UHFFFAOYSA-N;143.19;-0.93;;;;;DOPC;MDCG;27;1;"MARTINI bead: P2_P4";;;;;;;-2.29;;-8.63;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM404552;MM404552;C#CC(C#C)CONC=N;NULBSFWQHJJWHZ-UHFFFAOYSA-N;136.15;;;;;;DOPC;MDCG;27;1;"MARTINI bead: P4_C5";;;;;;;-0.41;;-4.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM404553;MM404553;CN=CNC=C(CN)CF;QYXZXBNSXOOING-UHFFFAOYSA-N;145.18;0.05;;;;;DOPC;MDCG;27;1;"MARTINI bead: P2_P1";;;;;;;-1.06;;-6.65;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM404554;MM404554;C#CC(C#C)CONC=O;MTUZYVUTXNIOAF-UHFFFAOYSA-N;137.14;-0.45;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_Nda";;;;;;;-0.24;;-3.31;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM404555;MM404555;CN=CNC=C(CF)CF;IHXYTLNPTXAICS-UHFFFAOYSA-N;148.16;1.06;;;;;DOPC;MDCG;27;1;"MARTINI bead: P2_C5";;;;;;;0.54;;-3.75;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM404556;MM404556;C#CC(C#C)OCOC=C;GABKLVMMMIEUOB-UHFFFAOYSA-N;136.15;0.76;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_Na";;;;;;;0.87;;-2.22;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM404557;MM404557;CC=COC=C(CC)CC;GQDMFKHIMTZMBD-UHFFFAOYSA-N;140.23;3.24;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1_Na";;;;;;;2.91;;0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM404558;MM404558;C#CCCCC(C#C)C#C;BTCHXBUQWCWMDP-UHFFFAOYSA-N;130.19;1.67;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_C5";;;;;;;2.41;;0.64;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM404559;MM404559;CCC(=COC=CF)CC;HZJUJEVEYBZMBV-UHFFFAOYSA-N;144.19;3.15;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1_Na";;;;;;;2.91;;0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM404560;MM404560;C#CCNCC(C#C)C#C;RXIFOSWUJMZEEF-UHFFFAOYSA-N;131.18;0.09;;;;;DOPC;MDCG;27;1;"MARTINI bead: P2_C5";;;;;;;0.54;;-2.1;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM404561;MM404561;CCC(=COC=CF)CN;VWGXLRIKMIZAPG-UHFFFAOYSA-N;145.18;1.7;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_Na";;;;;;;0.87;;-4.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM404562;MM404562;C#CCOCC(C#C)C#C;LKPUEWMTWGETQT-UHFFFAOYSA-N;132.16;0.52;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_N0";;;;;;;1.17;;-1.18;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM404563;MM404563;CC=COC=C(CC)CO;IHBGLZIAMHOJFB-UHFFFAOYSA-N;142.2;1.82;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_Na";;;;;;;1.64;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM404564;MM404564;C#CCCOC(C#C)C#C;MCKADDHJKRWWFO-UHFFFAOYSA-N;132.16;0.66;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_N0";;;;;;;1.17;;-1.18;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM404565;MM404565;CCC(=COC=CF)CO;IAPVMJVDFQWTFK-UHFFFAOYSA-N;146.16;1.73;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_Na";;;;;;;1.64;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM404566;MM404566;CC=CCCC(CC)CC;WZHFWULBIJBLQC-UHFFFAOYSA-N;140.27;3.78;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1_C1";;;;;;;4.95;;0.69;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM404567;MM404567;CC=COC=C(CC)CF;TTWKJVZCZNFYDR-UHFFFAOYSA-N;144.19;2.8;;;;;DOPC;MDCG;27;0;"MARTINI bead: C3_Na";;;;;;;2.57;;0.45;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM404568;MM404568;CCC(CC)CCC=CF;XFHLYQWDMJLZAA-UHFFFAOYSA-N;144.23;3.69;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1_C4";;;;;;;4.24;;0.42;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM404569;MM404569;CCC(=COC=CF)CF;SXMGRZYWEDISNP-UHFFFAOYSA-N;148.15;2.71;;;;;DOPC;MDCG;27;0;"MARTINI bead: C3_Na";;;;;;;2.57;;0.45;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM404570;MM404570;CC=CCCC(CC)CN;ICOPSFVXVNVRQW-UHFFFAOYSA-N;141.26;2.33;;;;;DOPC;MDCG;27;1;"MARTINI bead: C5_C2";;;;;;;3.6;;0.55;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM404571;MM404571;NCC(=COC=CF)CN;CYPPJSRXVKVNIW-UHFFFAOYSA-N;146.17;0.25;;;;;DOPC;MDCG;27;1;"MARTINI bead: P5_Na";;;;;;;-1.11;;-7.46;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM404572;MM404572;CCC(CN)CCC=CF;UKMOKTPHGFRULF-UHFFFAOYSA-N;145.22;2.23;;;;;DOPC;MDCG;27;1;"MARTINI bead: C5_C4";;;;;;;2.97;;-0.07;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM404573;MM404573;CC=COC=C(CO)CO;RCAMVNXEHGNVOQ-UHFFFAOYSA-N;144.17;0.41;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4_P3";;;;;;;0.23;;-1.03;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM404574;MM404574;C#CC1=C(C)C(C)(O)CC1;AXIWFZJKPZCVAP-UHFFFAOYSA-N;136.19;1.48;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC5_SNda";;;;;;;1.64;;0.05;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM404575;MM404575;OCC(=COC=CF)CO;JUCMNASOFLVPLT-UHFFFAOYSA-N;148.13;0.31;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_Na";;;;;;;-0.24;;-3.24;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM404576;MM404576;CC=CCCC(CC)CF;NVTBQYOIMXKXRZ-UHFFFAOYSA-N;144.23;3.34;;;;;DOPC;MDCG;27;0;"MARTINI bead: C2_C2";;;;;;;4.78;;0.59;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM404577;MM404577;CC=COC=C(CO)CF;LJAHVIUBOIEKOL-UHFFFAOYSA-N;146.16;1.38;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_Nda";;;;;;;0.87;;-1.99;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM404578;MM404578;CC=CCCC(CN)CN;OVCRNZGZMABOEX-UHFFFAOYSA-N;142.25;0.88;;;;;DOPC;MDCG;27;1;"MARTINI bead: C1_P3";;;;;;;0.94;;-2.5;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM404579;MM404579;OCC(=COC=CF)CF;DWIACDOGBMPRRL-UHFFFAOYSA-N;150.12;1.29;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda_Na";;;;;;;0.87;;-1.99;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM404580;MM404580;CC=CCCC(CN)CO;WDTHIUNPLXZQLX-UHFFFAOYSA-N;143.23;0.91;;;;;DOPC;MDCG;27;1;"MARTINI bead: C1_P2";;;;;;;1.8;;-1.32;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM404581;MM404581;CC=COC=C(CF)CF;YLOHIQZAGSTSRJ-UHFFFAOYSA-N;148.15;2.36;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_C5";;;;;;;1.64;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM404582;MM404582;CC=CCCC(CN)CF;GDNNGXIUWZQMPR-UHFFFAOYSA-N;145.22;1.89;;;;;DOPC;MDCG;27;1;"MARTINI bead: C1_P1";;;;;;;2.08;;-1.11;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM404583;MM404583;CCC(=COC=NO)CF;WTYGGXZUDJXWQL-UHFFFAOYSA-N;147.15;1.68;;;;;DOPC;MDCG;27;0;"MARTINI bead: C3_P3";;;;;;;0.6;;-0.8;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM404584;MM404584;NCC(CF)CCC=CF;XQLXCQSEHCUUPC-UHFFFAOYSA-N;149.18;1.79;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1_C3";;;;;;;1.74;;-2.05;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM404585;MM404585;CC=COC=C(CC)OC;HLKWHQHVOJKKNN-UHFFFAOYSA-N;142.2;2.43;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4_Na";;;;;;;2.2;;0.34;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM404586;MM404586;CC=CCCC(CO)CO;ZPRMILOAKIIBLC-UHFFFAOYSA-N;144.21;0.94;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1_P3";;;;;;;0.94;;0.03;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM404587;MM404587;CCC(=COC=CF)OC;FYSADUZNPFBNGW-UHFFFAOYSA-N;146.16;2.34;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4_Na";;;;;;;2.2;;0.34;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM404588;MM404588;FC=CCCC(CF)CF;HIRIONWLUNSLJZ-UHFFFAOYSA-N;152.16;2.81;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_C4";;;;;;;2.97;;0.45;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM404589;MM404589;CC=COC=C(CO)OC;ASQLFINHAHDTII-UHFFFAOYSA-N;144.17;1.02;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda_Na";;;;;;;0.87;;-1.99;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM404590;MM404590;CCC(CC)CCC=NN;DKPJGKROKHXAQX-UHFFFAOYSA-N;142.25;2.15;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1_Nd";;;;;;;2.91;;0.64;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM404591;MM404591;COC(=COC=CF)CO;SSAMVXQOIFIYBX-UHFFFAOYSA-N;148.13;0.92;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda_Na";;;;;;;0.87;;-1.99;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM404592;MM404592;C#CC(CC)CC(O)CC;KQMPNBFUZKVJET-UHFFFAOYSA-N;140.23;1.81;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda_C2";;;;;;;2.83;;0.57;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM404593;MM404593;COC(=COC=CF)CF;PEFRWXFPZCPHDA-UHFFFAOYSA-N;150.12;1.9;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_Na";;;;;;;1.64;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM404594;MM404594;CCC(CN)CCC=NO;ACBGJUFCAMSJCY-UHFFFAOYSA-N;144.22;1.21;;;;;DOPC;MDCG;27;1;"MARTINI bead: C5_P1";;;;;;;0.81;;-3.19;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM404595;MM404595;COC(=COC=NO)CN;NDJAGBUKOXCYCH-UHFFFAOYSA-N;146.15;-0.13;;;;;DOPC;MDCG;27;1;"MARTINI bead: P2_P1";;;;;;;-1.06;;-5.07;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM404596;MM404596;CCC(CO)CCC=NO;HIBOORCBLKPYKF-UHFFFAOYSA-N;145.2;1.25;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_P1";;;;;;;0.81;;-0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM404597;MM404597;C=CC1(O)CCCC1;JSQRFMSSEXQLTC-UHFFFAOYSA-N;112.17;1.48;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC5_SC4";;;;;;;2.97;;0.45;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM404598;MM404598;CCC(CF)CCC=NN;MEVSCTWRUIMZFN-UHFFFAOYSA-N;146.21;1.71;;;;;DOPC;MDCG;27;0;"MARTINI bead: C2_Nd";;;;;;;2.83;;0.62;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM404599;MM404599;COC(=COC=NO)CF;SOARQSADWRDNOG-UHFFFAOYSA-N;149.12;0.88;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_Nda";;;;;;;0.87;;-1.99;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM404600;MM404600;NCC(CO)CCC=NO;RGBUGZYXMLAWON-UHFFFAOYSA-N;146.19;-0.21;;;;;DOPC;MDCG;27;1;"MARTINI bead: P2_P1";;;;;;;-1.06;;-6.17;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM404601;MM404601;OCC(=NO)NCC=CF;OJIWSKAHEGKRIB-UHFFFAOYSA-N;148.14;-0.16;;;;;DOPC;MDCG;27;0;"MARTINI bead: P3_C5";;;;;;;-0.33;;-2.01;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM404602;MM404602;CC=C(CC)CC(O)CC;BLIAZYKOVBDJHH-UHFFFAOYSA-N;142.24;2.5;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda_C1";;;;;;;2.91;;0.57;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM404603;MM404603;CC=CCN=C(NC)NC;SSQAWGNEKKTRKT-UHFFFAOYSA-N;141.22;0.36;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1_C4";;;;;;;1.37;;-4.79;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM404604;MM404604;NN=CCCC(CF)CF;KFLWEXCBRDEKCC-UHFFFAOYSA-N;150.17;1.27;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nd_Na";;;;;;;0.87;;-1.88;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM404605;MM404605;NNC(=NCC=CF)NO;LBDPBBIMHFIDHU-UHFFFAOYSA-N;148.14;-0.73;;;;;DOPC;MDCG;27;1;"MARTINI bead: P3_C5";;;;;;;-0.33;;-3.93;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM404606;MM404606;ON=CCCC(CF)CF;IUAVEHVDRWRNIE-UHFFFAOYSA-N;151.16;1.78;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda_Na";;;;;;;0.87;;-1.99;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM404607;MM404607;CNC(=NCC=NN)NC;LTRRXOFARIGLHM-UHFFFAOYSA-N;143.19;-1.27;;;;;DOPC;MDCG;27;1;"MARTINI bead: P2_Nd";;;;;;;-0.24;;-7.67;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM404608;MM404608;CC=CCCC(CC)NC;MZNMOUOIOVVZEU-UHFFFAOYSA-N;141.26;2.34;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_C1";;;;;;;2.91;;-1.1;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM404609;MM404609;CNC(=NCC=NN)NN;SGWSAXGRBUOFEL-UHFFFAOYSA-N;144.18;-2.03;;;;;DOPC;MDCG;27;1;"MARTINI bead: P3_Nd";;;;;;;-1.1;;-7.7;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM404610;MM404610;CCC(CCC=CF)NC;JDNDSNNFFMVFNU-UHFFFAOYSA-N;145.22;2.25;;;;;DOPC;MDCG;27;1;"MARTINI bead: C5_C4";;;;;;;2.97;;-0.59;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM404611;MM404611;CNC(=NCC=NN)NO;BVUPTAMMITUMQA-UHFFFAOYSA-N;145.17;-1.51;;;;;DOPC;MDCG;27;1;"MARTINI bead: P3_Nd";;;;;;;-1.1;;-6.45;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM404612;MM404612;CC=CCCC(CN)NC;XGHNWDSITNKYSW-UHFFFAOYSA-N;142.25;0.89;;;;;DOPC;MDCG;27;1;"MARTINI bead: P2_C2";;;;;;;1.72;;-2.12;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM404613;MM404613;NN=CCN=C(NN)NN;SPJXBMWGEWWYCO-UHFFFAOYSA-N;145.17;-2.79;;;;;DOPC;MDCG;27;1;"MARTINI bead: P4_Nd";;;;;;;-1.19;;-7.83;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM404614;MM404614;CNC(CN)CCC=CF;SKNZECIRQJTFLS-UHFFFAOYSA-N;146.21;0.8;;;;;DOPC;MDCG;27;1;"MARTINI bead: P3_C3";;;;;;;0.6;;-3.53;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM404615;MM404615;NN=CCN=C(NN)NO;AIDASSLLRVAPAJ-UHFFFAOYSA-N;146.15;-2.27;;;;;DOPC;MDCG;27;1;"MARTINI bead: P4_Nd";;;;;;;-1.19;;-6.67;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM404616;MM404616;CNC(CF)CCC=CF;FDSYNVAZNNMLBW-UHFFFAOYSA-N;149.18;1.81;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1_C3";;;;;;;1.74;;-1.04;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM404617;MM404617;COC(=NCC=NN)NN;OSHMZMYUFOSPLE-UHFFFAOYSA-N;145.17;-1.6;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_P1";;;;;;;-0.79;;-3.13;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM404618;MM404618;CCC(CCC=NN)NC;FMZSWAVVIKZMRN-UHFFFAOYSA-N;143.23;0.71;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_Nd";;;;;;;0.87;;-5.48;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM404619;MM404619;COC(=NCC=NO)NN;OHZIFFGENJNXRJ-UHFFFAOYSA-N;146.15;-1.09;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_P1";;;;;;;-0.79;;-3.13;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM404620;MM404620;CCC(CCC=NO)NC;POLWLMLBJGQWFE-UHFFFAOYSA-N;144.22;1.22;;;;;DOPC;MDCG;27;1;"MARTINI bead: C5_P1";;;;;;;0.81;;-4.65;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM404621;MM404621;CCC(C)C1(O)CC1;SRDOKRCFLKENLD-UHFFFAOYSA-N;114.19;1.56;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_SNda";;;;;;;1.64;;0.05;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM404622;MM404622;CNC(CO)CCC=NN;YHGXHDNNGWYWLI-UHFFFAOYSA-N;145.21;-0.71;;;;;DOPC;MDCG;27;1;"MARTINI bead: P2_Nd";;;;;;;-0.24;;-5.78;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM404623;MM404623;C=CC(C)(O)C1CC1;JGQHOTLHQMUQDR-UHFFFAOYSA-N;112.17;1.33;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda_SC5";;;;;;;1.64;;0.05;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM404624;MM404624;CNC(CO)CCC=NO;SSQRPQLHTMFFKY-UHFFFAOYSA-N;146.19;-0.19;;;;;DOPC;MDCG;27;1;"MARTINI bead: P2_Nda";;;;;;;-0.24;;-5.77;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM404625;MM404625;N#CC(=N)NC(=N)C#N;LODBTZVKAPYYDJ-UHFFFAOYSA-N;121.1;-0.42;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_P1";;;;;;;-1.06;;-3.82;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM404626;MM404626;CC=CCCC(CC)OC;ZFPMOGLFKKHLPT-UHFFFAOYSA-N;142.24;2.77;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_C1";;;;;;;2.91;;0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM404627;MM404627;CNN=COC=C(C)C;UZAVMNPJCDAOOU-UHFFFAOYSA-N;128.18;1.09;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_C4";;;;;;;1.09;;-0.38;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM404628;MM404628;CC=CCCC(CN)OC;HHJZKNBMNJDJGN-UHFFFAOYSA-N;143.23;1.32;;;;;DOPC;MDCG;27;1;"MARTINI bead: P2_C2";;;;;;;1.72;;-1.37;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM404629;MM404629;COC(CO)=NNC=NO;SFOKINSWXXVRMD-UHFFFAOYSA-N;147.13;-1.05;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_P1";;;;;;;-1.06;;-3.82;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM404630;MM404630;CCC(CCC=NN)OC;RFRJMOHCJVXKFO-UHFFFAOYSA-N;144.22;1.14;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4_Nd";;;;;;;2.2;;0.32;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM404631;MM404631;CN=CNN=C(NC)NN;ZLJWDMRUFDQQLU-UHFFFAOYSA-N;144.18;-1.81;;;;;DOPC;MDCG;27;1;"MARTINI bead: P4_N0";;;;;;;-0.88;;-6.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM404632;MM404632;CCC(CCC=NO)OC;IHIUNRNYQCXIFW-UHFFFAOYSA-N;145.2;1.65;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4_P1";;;;;;;1.37;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM404633;MM404633;CN=CNN=C(NN)NN;CMEFGOQWAHRFGX-UHFFFAOYSA-N;145.17;-2.57;;;;;DOPC;MDCG;27;1;"MARTINI bead: N0_P4";;;;;;;-0.88;;-5.42;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM404634;MM404634;COC(CN)CCC=NO;SEYSWEVALPZDGK-UHFFFAOYSA-N;146.19;0.2;;;;;DOPC;MDCG;27;1;"MARTINI bead: P2_Nda";;;;;;;-0.24;;-5.34;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM404635;MM404635;NN=CNN=C(NN)NN;JOPJPYPHMOYFMC-UHFFFAOYSA-N;146.16;-3.32;;;;;DOPC;MDCG;27;1;"MARTINI bead: P4_P1";;;;;;;-2.01;;-6.65;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM404636;MM404636;C=CC1(CO)C=CC(=C)C1;ILELJZJONGWCET-UHFFFAOYSA-N;136.19;1.67;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC5_SC4";;;;;;;2.97;;0.45;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM404637;MM404637;NNC(=NNC=NO)NN;CUORIMDAOPFCIB-UHFFFAOYSA-N;147.14;-2.81;;;;;DOPC;MDCG;27;1;"MARTINI bead: P4_P1";;;;;;;-2.01;;-6.58;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM404638;MM404638;COC(CO)CCC=NO;OCHSYNRYQDVVBE-UHFFFAOYSA-N;147.17;0.23;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_Nda";;;;;;;-0.24;;-3.31;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM404639;MM404639;C=CCC1C(C)C1(C)O;CRBZNDSMRBHXRV-UHFFFAOYSA-N;126.2;1.58;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4_SNda";;;;;;;2.2;;0.49;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM404640;MM404640;COC(CF)CCC=NN;HYAVLSPDWFDPSK-UHFFFAOYSA-N;148.18;0.7;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_Nd";;;;;;;0.87;;-1.88;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM404641;MM404641;CC=C(C)OC=NNC;XWEMJGCRGYILAQ-UHFFFAOYSA-N;128.18;1.09;;;;;DOPC;MDCG;27;0;"MARTINI bead: P3_C3";;;;;;;0.6;;-0.8;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM404642;MM404642;CCC(CF)CN=CNC;JXJGSKJEWITYDQ-UHFFFAOYSA-N;146.21;1.23;;;;;DOPC;MDCG;27;1;"MARTINI bead: C2_P3";;;;;;;0.86;;-3.71;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM404643;MM404643;CC(C=O)N(C)CCF;VZKBSKJPGNVPCN-UHFFFAOYSA-N;133.17;0.48;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_C5";;;;;;;0.54;;-1.09;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM404644;MM404644;CN=CNCC(CN)CN;SXZIQIMYFJWHHR-UHFFFAOYSA-N;144.22;-1.23;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1_P3";;;;;;;-1.93;;-8.23;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM404645;MM404645;C#CCC(O)C1(C)CC1;UIEKDIWEEQMFLX-UHFFFAOYSA-N;124.18;1.17;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC5_Nda";;;;;;;1.64;;0.05;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM404646;MM404646;NCC(CN)CN=CNO;MZYIICYIBLCPFT-UHFFFAOYSA-N;146.19;-1.47;;;;;DOPC;MDCG;27;1;"MARTINI bead: P3_P2";;;;;;;-2.2;;-7.31;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM404647;MM404647;CCC(CO)=NOC=NO;PWIVYHGUQBXXJK-UHFFFAOYSA-N;146.15;0.18;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda_P2";;;;;;;-0.24;;-3.31;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM404648;MM404648;CN=CNCC(CN)CO;JFXHGZWHFVABFR-UHFFFAOYSA-N;145.21;-1.2;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1_P2";;;;;;;-1.06;;-7.47;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM404649;MM404649;NN=CON=C(CO)CO;QLOFWQCZHVCRQB-UHFFFAOYSA-N;147.13;-1.75;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_P5";;;;;;;-1.94;;-5.95;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM404650;MM404650;NCC(CO)CN=CNO;ANOOLEDCBZHSNX-UHFFFAOYSA-N;147.18;-1.44;;;;;DOPC;MDCG;27;1;"MARTINI bead: P2_P4";;;;;;;-2.29;;-7.74;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM404651;MM404651;OCC(CO)=NOC=NO;DXHGYBJOCLEFKU-UHFFFAOYSA-N;148.12;-1.24;;;;;DOPC;MDCG;27;0;"MARTINI bead: P5_P1";;;;;;;-1.94;;-5.95;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM404652;MM404652;CN=CNCC(CN)CF;SWWMLPYVCMWTRI-UHFFFAOYSA-N;147.2;-0.22;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1_P1";;;;;;;-0.79;;-6.83;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM404653;MM404653;CCC(=NO)NOC=NN;AVNBKZDLQQPXEO-UHFFFAOYSA-N;146.15;-0.39;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda_P2";;;;;;;-0.24;;-3.31;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM404654;MM404654;NCC(CF)CN=CNO;HIZCTHVEASIKJZ-UHFFFAOYSA-N;149.17;-0.46;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1_P2";;;;;;;-1.06;;-5.92;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM404655;MM404655;CCC(=NO)NOC=NO;MPGUGTZXZJRHPT-UHFFFAOYSA-N;147.13;0.12;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda_P2";;;;;;;-0.24;;-3.31;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM404656;MM404656;CN=CNCC(CF)CF;PVWPRRODXQUHST-UHFFFAOYSA-N;150.17;0.79;;;;;DOPC;MDCG;27;1;"MARTINI bead: N0_P1";;;;;;;0.34;;-5.2;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM404657;MM404657;CCC1CC(C)C(O)C1;NWPKEDBDFAJRLG-UHFFFAOYSA-N;128.22;1.8;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC1_SNda";;;;;;;2.91;;0.57;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM404658;MM404658;CC=NNCC(CC)CC;GITXOKJWVPIDKD-UHFFFAOYSA-N;142.25;2.02;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1_Nd";;;;;;;2.91;;0.64;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM404659;MM404659;COC(CO)=NOC=NN;NRAUQRIUKLUCDA-UHFFFAOYSA-N;147.13;-1.14;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_P1";;;;;;;-1.06;;-3.82;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM404660;MM404660;CC=NNCC(CC)CN;FNFSMQXWGTWMKC-UHFFFAOYSA-N;143.23;0.57;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_Nd";;;;;;;0.87;;-4.59;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM404661;MM404661;COC(CO)=NOC=NO;RQAOJUKZRXUSAA-UHFFFAOYSA-N;148.12;-0.63;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_P1";;;;;;;-1.06;;-3.82;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM404662;MM404662;C#CC(C)C1(C)C(C)C1O;PDOHCTBKQRDMHH-UHFFFAOYSA-N;138.21;1.27;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_SNda";;;;;;;1.64;;0.05;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM404663;MM404663;CCC1CCC(O)C1C;NHQWDYCFVHJTJN-UHFFFAOYSA-N;128.22;1.8;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC1_SNda";;;;;;;2.91;;0.57;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM404664;MM404664;CC=NNCC(CC)CF;XLYXASXTCNKFSZ-UHFFFAOYSA-N;146.21;1.58;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4_Nd";;;;;;;2.2;;0.32;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM404665;MM404665;C=Cc1[nH]nc(N)c1N;PQPRQVCESQDRAH-UHFFFAOYSA-N;124.15;0.22;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP2_SNd";;;;;;;-0.24;;-3.16;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM404666;MM404666;C#CCC=NNC(=N)C#N;WDRLGTRKCWTCRE-UHFFFAOYSA-N;134.14;0.09;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_C5";;;;;;;0.54;;-1.09;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM404667;MM404667;NNC(=NOC=NO)NN;MJTIJMFXPWDKSQ-UHFFFAOYSA-N;148.13;-2.38;;;;;DOPC;MDCG;27;0;"MARTINI bead: P4_P1";;;;;;;-2.01;;-5.13;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM404668;MM404668;CCC(CN=CNO)NC;WFVPWHJDRFIOBH-UHFFFAOYSA-N;145.21;-0.01;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_P2";;;;;;;-0.24;;-4.86;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM404669;MM404669;NNC(=NOC=NO)NO;JOIPOZLDHJFPTR-UHFFFAOYSA-N;149.11;-1.87;;;;;DOPC;MDCG;27;0;"MARTINI bead: P4_P1";;;;;;;-2.01;;-5.13;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM404670;MM404670;CN=CNCC(CO)NC;MKMUPEKMJYYOAI-UHFFFAOYSA-N;145.21;-1.19;;;;;DOPC;MDCG;27;1;"MARTINI bead: P2_P1";;;;;;;-1.06;;-7.22;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM404671;MM404671;C=CC(=CCC=CC)CC;FNQBGAZFGSXTIH-UHFFFAOYSA-N;136.24;3.48;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1_C2";;;;;;;4.87;;0.53;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM404672;MM404672;CNC(CO)CN=CNN;DPAVKBURAUXARJ-UHFFFAOYSA-N;146.19;-1.94;;;;;DOPC;MDCG;27;1;"MARTINI bead: P2_P3";;;;;;;-2.2;;-6.94;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM404673;MM404673;C=CC(=CCC=CF)CC;XSNYVVHDQGIGFT-UHFFFAOYSA-N;140.2;3.38;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1_C4";;;;;;;4.24;;0.42;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM404674;MM404674;CNC(CO)CN=CNO;WUZSZXAKEQYSAZ-UHFFFAOYSA-N;147.18;-1.43;;;;;DOPC;MDCG;27;1;"MARTINI bead: P2_P4";;;;;;;-2.29;;-7.01;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM404675;MM404675;CC=CCC=C(C=O)CC;YZIGAHCFVZUUIR-UHFFFAOYSA-N;138.21;2.49;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_C2";;;;;;;2.83;;0.35;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM404676;MM404676;CC=NNCC(CC)NC;ITBUBRXVJWTOOE-UHFFFAOYSA-N;143.23;0.58;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_Nd";;;;;;;0.87;;-4.02;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM404677;MM404677;CC=CCC=C(C#N)CC;LLSURTQBOJBVJL-UHFFFAOYSA-N;135.21;2.81;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_C2";;;;;;;3.6;;0.34;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM404678;MM404678;CCC(CN=CNN)OC;SAJVKONXBNQFIL-UHFFFAOYSA-N;145.21;-0.1;;;;;DOPC;MDCG;27;1;"MARTINI bead: C5_P2";;;;;;;0.54;;-2.56;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM404679;MM404679;CCC(C=O)=CCC=CF;PNRIHQBISGDQGQ-UHFFFAOYSA-N;142.17;2.4;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_C4";;;;;;;2.2;;0.34;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM404680;MM404680;CNC=NCC(CN)OC;NAHMSLBXLCMHLF-UHFFFAOYSA-N;145.21;-0.79;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1_P2";;;;;;;-1.06;;-7;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM404681;MM404681;CCC(C#N)=CCC=CF;FQWPZFFGXSLBFD-UHFFFAOYSA-N;139.17;2.72;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_C4";;;;;;;2.97;;0.45;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM404682;MM404682;COC(CN)CN=CNO;VHQOPEBKMUPOIZ-UHFFFAOYSA-N;147.18;-1.03;;;;;DOPC;MDCG;27;1;"MARTINI bead: P2_P2";;;;;;;-1.34;;-5.76;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM404683;MM404683;C=CC(=CCC=CC)CN;RJFKQVSYVXVBKU-UHFFFAOYSA-N;137.23;2.02;;;;;DOPC;MDCG;27;1;"MARTINI bead: C2_Nd";;;;;;;2.83;;-0.21;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM404684;MM404684;CNC=NCC(CO)OC;FPXXUORLFBIOIN-UHFFFAOYSA-N;146.19;-0.76;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1_P2";;;;;;;-1.06;;-6.97;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM404685;MM404685;C=CC(=CCC=CF)CN;OIMXEXWEJKSSSZ-UHFFFAOYSA-N;141.19;1.93;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_C4";;;;;;;2.2;;-1.63;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM404686;MM404686;CC=NNCC(CC)OC;CWNCSLKSXLYIJU-UHFFFAOYSA-N;144.22;1.01;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_Nd";;;;;;;0.87;;-1.88;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM404687;MM404687;O=CCNC1(C=O)CC1;UDVWAABMQBEHOY-UHFFFAOYSA-N;127.14;-0.49;;;;;DOPC;MDCG;27;0;"MARTINI bead: P5_SNa";;;;;;;-1.11;;-5.49;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM404688;MM404688;CC=COCC(CC)CC;GHIWQMACXHJZPP-UHFFFAOYSA-N;142.24;2.97;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1_C5";;;;;;;3.68;;0.46;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM404689;MM404689;CCC(O)C1CC1CC;DBEBJNNZKHZJDH-UHFFFAOYSA-N;128.22;1.8;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda_SC3";;;;;;;2.57;;0.44;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM404690;MM404690;CC=COCC(CC)CN;STTKWOFIBDDZIX-UHFFFAOYSA-N;143.23;1.52;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_C5";;;;;;;1.64;;-2.64;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM404691;MM404691;CC=CCC=C(C#N)CO;DMCNNCIVHBGYJF-UHFFFAOYSA-N;137.18;1.39;;;;;DOPC;MDCG;27;0;"MARTINI bead: C2_P1";;;;;;;2;;0.29;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM404692;MM404692;CCC(CN)COC=CF;HAOALGPYXCHZAU-UHFFFAOYSA-N;147.19;1.43;;;;;DOPC;MDCG;27;1;"MARTINI bead: C5_Na";;;;;;;1.64;;-2.67;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM404693;MM404693;C=CC(=CCC=CC)CF;JAJXKZGSBPCXLC-UHFFFAOYSA-N;140.2;3.03;;;;;DOPC;MDCG;27;0;"MARTINI bead: C2_C4";;;;;;;4.16;;0.44;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM404694;MM404694;CC=COCC(CC)CO;OOKMMACGQYBWOC-UHFFFAOYSA-N;144.21;1.56;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda_C5";;;;;;;1.64;;0.05;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM404695;MM404695;C=CC(=CCC=CF)CF;PJWRCWQLUDTYSG-UHFFFAOYSA-N;144.16;2.94;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4_C4";;;;;;;3.53;;0.53;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM404696;MM404696;CC=COCC(CC)CF;QUMBPFQJRJKHEW-UHFFFAOYSA-N;146.21;2.53;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4_C5";;;;;;;2.97;;0.45;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM404697;MM404697;CC=CCC=C(C=O)CF;WNAGQHGHZDBCRK-UHFFFAOYSA-N;142.17;2.05;;;;;DOPC;MDCG;27;0;"MARTINI bead: C2_Na";;;;;;;2.83;;0.35;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM404698;MM404698;CC=COCC(CN)CN;DVHVBIILIDZGIA-UHFFFAOYSA-N;144.22;0.07;;;;;DOPC;MDCG;27;1;"MARTINI bead: C5_P3";;;;;;;-0.33;;-4.66;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM404699;MM404699;CC=CCC=C(C#N)CF;GPXHLGVBJWQOAY-UHFFFAOYSA-N;139.17;2.37;;;;;DOPC;MDCG;27;0;"MARTINI bead: C2_Na";;;;;;;2.83;;0.35;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM404700;MM404700;C=CC(=CCC=NN)CC;NFHASINIODOOFF-UHFFFAOYSA-N;138.21;1.84;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1_Nd";;;;;;;2.91;;0.63;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM404701;MM404701;NCC(CN)COC=CF;SBRMBJMKEQWRMA-UHFFFAOYSA-N;148.18;-0.02;;;;;DOPC;MDCG;27;1;"MARTINI bead: P3_N0";;;;;;;-0.8;;-5.63;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM404702;MM404702;CCC(C#N)=CCC=NO;MENCIAMMOOOLTK-UHFFFAOYSA-N;138.17;1.7;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_P1";;;;;;;0.81;;-0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM404703;MM404703;OCC(CO)COC=CF;HBGWBRXJESSEMD-UHFFFAOYSA-N;150.15;0.04;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_Na";;;;;;;-0.24;;-3.24;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM404704;MM404704;CC1C(C(=O)C#N)N1C;VILBAJDRHQEKHA-UHFFFAOYSA-N;124.14;-0.22;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNd_P1";;;;;;;0.04;;-2.63;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM404705;MM404705;OCC(CF)COC=CF;MYBRQJSGDYUQOU-UHFFFAOYSA-N;152.14;1.02;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_N0";;;;;;;0.34;;-1.53;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM404706;MM404706;O=CC(=CCC=NO)CO;HYXBMVFLUXEVMX-UHFFFAOYSA-N;143.14;-0.05;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_Nda";;;;;;;-0.24;;-3.31;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM404707;MM404707;C=CC=NN=CC(F)CF;UAFWOBRHHBSSBF-UHFFFAOYSA-N;146.14;1.54;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_C5";;;;;;;1.64;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM404708;MM404708;C=CC(=CCC=NN)CF;XEBYXAJXEUUKNO-UHFFFAOYSA-N;142.18;1.4;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nd_C4";;;;;;;2.2;;0.32;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM404709;MM404709;CCC(CC)COC=NO;SULGXDAXKKFSLB-UHFFFAOYSA-N;145.2;1.86;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1_P2";;;;;;;1.8;;0.4;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM404710;MM404710;C=CC(=CCC=NO)CF;XTLOQUIWOKWDND-UHFFFAOYSA-N;143.16;1.92;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_C4";;;;;;;1.37;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM404711;MM404711;NCC(CO)COC=NO;XIMRZUUGICWLQD-UHFFFAOYSA-N;148.16;-1.01;;;;;DOPC;MDCG;27;1;"MARTINI bead: P2_P2";;;;;;;-1.34;;-7.37;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM404712;MM404712;C=CC(=CCC=CC)OC;VNFRXBSDTXHMEO-UHFFFAOYSA-N;138.21;2.67;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4_C2";;;;;;;4.16;;0.44;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM404713;MM404713;CC=NOCC(CC)CC;NIRRMUSLPHPVAO-UHFFFAOYSA-N;143.23;2.44;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1_Na";;;;;;;2.91;;0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM404714;MM404714;C=CC(=CCC=CF)OC;XNDDLPDLDZXMBI-UHFFFAOYSA-N;142.17;2.58;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4_C4";;;;;;;3.53;;0.53;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM404715;MM404715;CC=NOCC(CC)CN;CHRQKSXVSZJYGH-UHFFFAOYSA-N;144.22;0.99;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_Na";;;;;;;0.87;;-4.62;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM404716;MM404716;CC=CCC=C(C#N)OC;JZVRCARLMNDEDD-UHFFFAOYSA-N;137.18;2.01;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_C2";;;;;;;2.83;;0.35;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM404717;MM404717;C=CCC1C(C)C1(O)C=C;HRGNELPMJRIVRH-UHFFFAOYSA-N;138.21;1.75;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4_SNda";;;;;;;2.2;;0.49;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM404718;MM404718;C=CC(=CCC=NN)OC;UMRMICSJXORAII-UHFFFAOYSA-N;140.19;1.04;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4_Nd";;;;;;;2.2;;0.32;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM404719;MM404719;CC=NOCC(CN)CO;HQHURIZOYKZMKF-UHFFFAOYSA-N;146.19;-0.42;;;;;DOPC;MDCG;27;1;"MARTINI bead: Na_P2";;;;;;;-0.24;;-5.6;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM404720;MM404720;C=CC(=CCC=NO)OC;YIYGRADDHZCBAS-UHFFFAOYSA-N;141.17;1.55;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4_P1";;;;;;;1.37;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM404721;MM404721;CC=NOCC(CF)CF;VKWNUFCSOHBABZ-UHFFFAOYSA-N;151.16;1.56;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_Na";;;;;;;0.87;;-2.22;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM404722;MM404722;C=CC(=CN=CNC)CC;UAASXODFQPDWID-UHFFFAOYSA-N;138.21;1.71;;;;;DOPC;MDCG;27;1;"MARTINI bead: C1_P3";;;;;;;0.94;;-3.09;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM404723;MM404723;CC=COCC(CC)NC;PLMZPDDPDHDYLD-UHFFFAOYSA-N;143.23;1.53;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_C5";;;;;;;1.64;;-2.43;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM404724;MM404724;C=CC(=CN=CNN)CC;AMEWASPPGVUCIC-UHFFFAOYSA-N;139.2;0.96;;;;;DOPC;MDCG;27;1;"MARTINI bead: C1_P4";;;;;;;0.85;;-2.23;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM404725;MM404725;CNC(CN)COC=CF;ILAJXYNNDNJBTQ-UHFFFAOYSA-N;148.18;-0.01;;;;;DOPC;MDCG;27;1;"MARTINI bead: P3_N0";;;;;;;-0.8;;-5.19;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM404726;MM404726;CCC(C#N)=CN=CNC;FHKYDMVMQFGOSQ-UHFFFAOYSA-N;137.19;1.05;;;;;DOPC;MDCG;27;1;"MARTINI bead: C5_P2";;;;;;;0.54;;-3.59;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM404727;MM404727;CNC(CO)COC=CF;ASLWDKKXBOOAGA-UHFFFAOYSA-N;149.17;0.02;;;;;DOPC;MDCG;27;1;"MARTINI bead: P2_Na";;;;;;;-0.24;;-5.02;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM404728;MM404728;C=CC(=CNC=NC)CF;YFYALQNSGDCZLS-UHFFFAOYSA-N;142.18;1.27;;;;;DOPC;MDCG;27;1;"MARTINI bead: P2_C4";;;;;;;1.09;;-3.12;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM404729;MM404729;CNC(CO)COC=NN;CRVAZBBNBXXGTP-UHFFFAOYSA-N;147.18;-1.51;;;;;DOPC;MDCG;27;1;"MARTINI bead: P2_P1";;;;;;;-1.06;;-5.21;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM404730;MM404730;CN=CNC=C(C=O)CF;CZWCNCDBDADOLP-UHFFFAOYSA-N;144.15;0.29;;;;;DOPC;MDCG;27;1;"MARTINI bead: P2_Na";;;;;;;-0.24;;-5.4;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM404731;MM404731;CNC(CO)COC=NO;JLKSDLVHLLWPRY-UHFFFAOYSA-N;148.16;-1;;;;;DOPC;MDCG;27;1;"MARTINI bead: P2_P2";;;;;;;-1.34;;-5.95;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM404732;MM404732;CCC=COC=NNC;YCFVETHZKAGGLX-UHFFFAOYSA-N;128.18;1.09;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_P2";;;;;;;0.54;;-1.09;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM404733;MM404733;CC=NOCC(CC)NC;KVZCESRUFGLGFY-UHFFFAOYSA-N;144.22;1.01;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_Na";;;;;;;0.87;;-3.51;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM404734;MM404734;C=CC=COC=NNC;KORMKOBHMAOTAQ-UHFFFAOYSA-N;126.16;0.87;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_C4";;;;;;;1.09;;-0.38;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM404735;MM404735;CC=COCC(CC)OC;CNJQXIKFSQQIKO-UHFFFAOYSA-N;144.21;1.96;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_C5";;;;;;;1.64;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM404736;MM404736;CCCCC(O)C1CC1;HCGLEGPQCCRMKF-UHFFFAOYSA-N;128.22;1.95;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_SC5";;;;;;;2.41;;0.64;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM404737;MM404737;CCC(COC=CF)OC;IHKCBKSCFNBXAN-UHFFFAOYSA-N;148.18;1.87;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4_Na";;;;;;;2.2;;0.34;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM404738;MM404738;CCC(=N)N=C(N)C(C)=O;APWLPESVZMNMCM-UHFFFAOYSA-N;141.17;0.32;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nd_P2";;;;;;;-0.24;;-3.16;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM404739;MM404739;CC=COCC(CN)OC;ZPMNAUONOPWPCG-UHFFFAOYSA-N;145.2;0.51;;;;;DOPC;MDCG;27;1;"MARTINI bead: P2_C5";;;;;;;0.54;;-3.08;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM404740;MM404740;CC=C1C=C(C)C(C)(O)C1;LTRJMZBYOFEUOP-UHFFFAOYSA-N;138.21;2.03;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC3_SC5";;;;;;;3.34;;0.48;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM404741;MM404741;CC=COCC(CO)OC;KGZRXHNSGDGIFL-UHFFFAOYSA-N;146.19;0.54;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_C5";;;;;;;0.54;;-1.09;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM404742;MM404742;C=CC(=COC=CF)CC;VPUCHLZTMYDCMW-UHFFFAOYSA-N;142.17;2.92;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1_Na";;;;;;;2.91;;0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM404743;MM404743;CNN=CC(C#N)C(F)F;RDDFFBGUQWKFMB-UHFFFAOYSA-N;147.13;0.6;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nd_N0";;;;;;;1.17;;-1.04;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM404744;MM404744;CC=COC=C(C#N)CC;ILHAJWHSXCNYRT-UHFFFAOYSA-N;137.18;2.35;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_Na";;;;;;;1.64;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM404745;MM404745;COC(CF)COC=NO;GOYRLILQNKRVER-UHFFFAOYSA-N;151.14;0.41;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_P2";;;;;;;-0.24;;-3.24;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM404746;MM404746;CCC(C#N)=COC=CF;LHJHKYJJTPBFGH-UHFFFAOYSA-N;141.15;2.26;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_Na";;;;;;;1.64;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM404747;MM404747;CC=NOCC(CC)OC;DZSNQUNZLXCZHJ-UHFFFAOYSA-N;145.2;1.43;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_Na";;;;;;;0.87;;-2.22;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM404748;MM404748;C=CC(=COC=CC)CN;DJRHKJHXOCJXGK-UHFFFAOYSA-N;139.2;1.57;;;;;DOPC;MDCG;27;1;"MARTINI bead: Na_Nd";;;;;;;0.87;;-4.02;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM404749;MM404749;CC=NOCC(CN)OC;MWSKVGLPUZKGDF-UHFFFAOYSA-N;146.19;-0.02;;;;;DOPC;MDCG;27;1;"MARTINI bead: P2_Na";;;;;;;-0.24;;-5.24;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM404750;MM404750;C=CC(=COC=CF)CN;YTFSFHJKSSGETB-UHFFFAOYSA-N;143.16;1.47;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_Na";;;;;;;0.87;;-4.02;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM404751;MM404751;CC=COCC(OC)OC;RQGCNYQPDKKMMY-UHFFFAOYSA-N;146.19;1.16;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_C5";;;;;;;0.81;;-0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM404752;MM404752;CC=COC=C(C=O)CO;XPMBOZAWVXYIEU-UHFFFAOYSA-N;142.15;0.61;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_P2";;;;;;;0.54;;-1.09;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM404753;MM404753;COC(COC=CF)OC;AQCDZORORAEDQU-UHFFFAOYSA-N;150.15;1.06;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_N0";;;;;;;0.34;;-1.53;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM404754;MM404754;CC=COC=C(C#N)CO;KOSXJICOXZSKKZ-UHFFFAOYSA-N;139.15;0.94;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_P2";;;;;;;0.54;;-1.09;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM404755;MM404755;CC=CCNC(CC)CC;BMLZDTMTVIETPM-UHFFFAOYSA-N;141.26;2.34;;;;;DOPC;MDCG;27;1;"MARTINI bead: C1_Nd";;;;;;;2.91;;-0.51;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM404756;MM404756;N#CC(=COC=CF)CO;GPXAOFAZHSLAFW-UHFFFAOYSA-N;143.12;0.84;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_C5";;;;;;;0.54;;-1.09;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM404757;MM404757;CCC(CC)NCC=CF;KXYLXQYCJLANAA-UHFFFAOYSA-N;145.22;2.25;;;;;DOPC;MDCG;27;1;"MARTINI bead: C5_C4";;;;;;;2.97;;0.33;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM404758;MM404758;C=CC(=COC=CC)CF;HGFLXHFYSVEJPR-UHFFFAOYSA-N;142.17;2.58;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_C4";;;;;;;2.2;;0.34;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM404759;MM404759;CC=CCNC(CC)CN;OLBYKKAAKWWDFL-UHFFFAOYSA-N;142.25;0.89;;;;;DOPC;MDCG;27;1;"MARTINI bead: P2_C2";;;;;;;1.72;;-1.67;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM404760;MM404760;C=CC(=COC=CF)CF;XUBKXSXMFIWESF-UHFFFAOYSA-N;146.14;2.48;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4_Na";;;;;;;2.2;;0.34;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM404761;MM404761;CC=CCNC(CC)CO;HCPFYURFUTVKEW-UHFFFAOYSA-N;143.23;0.92;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nda_Nd";;;;;;;0.87;;-3.93;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM404762;MM404762;N#CC(=COC=CF)CF;HTHMQSJTUQXERZ-UHFFFAOYSA-N;145.11;1.82;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_Na";;;;;;;0.87;;-2.22;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM404763;MM404763;CC=CCNC(CN)CO;MMEWANBUDGMKPC-UHFFFAOYSA-N;144.22;-0.53;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_P2";;;;;;;-0.24;;-4.99;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM404764;MM404764;CCC(C=O)=COC=NO;XOPPGIMDUHKUDU-UHFFFAOYSA-N;143.14;0.91;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_C5";;;;;;;0.54;;-1.09;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM404765;MM404765;NCC(CF)NCC=CF;QRVKUULQAZKPGL-UHFFFAOYSA-N;150.17;0.36;;;;;DOPC;MDCG;27;1;"MARTINI bead: Na_P2";;;;;;;-0.24;;-5.15;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM404766;MM404766;O=CC(=COC=NO)CO;GKJXKDYQWGHFRE-UHFFFAOYSA-N;145.11;-0.5;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_P1";;;;;;;-1.06;;-3.82;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM404767;MM404767;CCC(CC)NCC=NN;MZWUTSRAMDMDQZ-UHFFFAOYSA-N;143.23;0.71;;;;;DOPC;MDCG;27;1;"MARTINI bead: C1_P3";;;;;;;0.94;;-0.86;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM404768;MM404768;C=CC(=COC=CC)OC;KWNHVHSQDDXNBB-UHFFFAOYSA-N;140.18;2.21;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4_Na";;;;;;;2.2;;0.34;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM404769;MM404769;CCC(CC)NCC=NO;ALLDXQFOMDPNJB-UHFFFAOYSA-N;144.22;1.22;;;;;DOPC;MDCG;27;1;"MARTINI bead: C5_P1";;;;;;;0.81;;-1.91;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM404770;MM404770;C=CC(=COC=CF)OC;CBAOEWAMGBKPSX-UHFFFAOYSA-N;144.15;2.12;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4_Na";;;;;;;2.2;;0.34;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM404771;MM404771;CCC(CN)NCC=NO;UZNANVQKBKXCPI-UHFFFAOYSA-N;145.21;-0.23;;;;;DOPC;MDCG;27;1;"MARTINI bead: C5_P3";;;;;;;-0.33;;-3.78;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM404772;MM404772;CC=COC=C(C=O)OC;VXNWWUUVWQZHQY-UHFFFAOYSA-N;142.15;1.22;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_Na";;;;;;;0.87;;-2.22;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM404773;MM404773;CCC(CC)NN=CNC;WQFHFBLTZMSPMV-UHFFFAOYSA-N;143.23;0.93;;;;;DOPC;MDCG;27;1;"MARTINI bead: C1_P3";;;;;;;0.94;;-1.49;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM404774;MM404774;CC=COC=C(C#N)OC;HRQUAWFGBVLYRC-UHFFFAOYSA-N;139.15;1.55;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_Na";;;;;;;0.87;;-2.22;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM404775;MM404775;Nc1noc(=O)ccc1=O;VSDQTFRKOARCBC-UHFFFAOYSA-N;140.1;-1.02;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP1_SP2";;;;;;;-1.06;;-3.82;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM404776;MM404776;COC(C=O)=COC=CF;IQPUQBPBJPVOQW-UHFFFAOYSA-N;146.12;1.13;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_Na";;;;;;;0.87;;-2.22;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM404777;MM404777;CN=CNNC(CN)CF;COIWKMJVOOPPNY-UHFFFAOYSA-N;148.19;-0.96;;;;;DOPC;MDCG;27;1;"MARTINI bead: P3_P1";;;;;;;-1.93;;-6.97;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM404778;MM404778;COC(C#N)=COC=CF;UQSZFLNEXWNMQE-UHFFFAOYSA-N;143.12;1.46;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_Na";;;;;;;0.87;;-2.22;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM404779;MM404779;N=c1nnc(=O)onc1N;JQKDQOFAWKAYCX-UHFFFAOYSA-N;141.09;-2.11;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP3_SP3";;;;;;;-3.07;;-6.15;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM404780;MM404780;C=C(C#N)CC(C)=NOC;KEGBWJPWYYUBQC-UHFFFAOYSA-N;138.17;1.48;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_N0";;;;;;;1.17;;-1.18;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM404781;MM404781;CC=CCOC(CC)CC;BGLVSDFXCKCJCK-UHFFFAOYSA-N;142.24;2.77;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1_Na";;;;;;;2.91;;0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM404782;MM404782;C=CC(=COC=NO)OC;QWMYNLJWCBLRSN-UHFFFAOYSA-N;143.14;1.09;;;;;DOPC;MDCG;27;0;"MARTINI bead: N0_Nda";;;;;;;1.17;;-1.13;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM404783;MM404783;CCC(CN)OCC=CF;JBOLHXWTOZWFEU-UHFFFAOYSA-N;147.19;1.22;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_Na";;;;;;;0.87;;-3.96;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM404784;MM404784;COC(C=O)=COC=NO;DVTHTUHJMWMUBP-UHFFFAOYSA-N;145.11;0.11;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_Nda";;;;;;;-0.24;;-3.31;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM404785;MM404785;CCC(CO)OCC=CF;AEHZMUAIDAVDFA-UHFFFAOYSA-N;148.18;1.26;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda_Na";;;;;;;0.87;;-1.99;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM404786;MM404786;CON=C(CC(C)=O)OC;AXMRTXWPLLPTIJ-UHFFFAOYSA-N;145.16;0.57;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_P1";;;;;;;0.04;;-2.54;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM404787;MM404787;CC=CCOC(CC)CF;SODGQMKMKAWDAG-UHFFFAOYSA-N;146.21;2.33;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4_Na";;;;;;;2.2;;0.34;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM404788;MM404788;CNN=C(C#N)C=C(C)N;QBFWYGRRTNGOBV-UHFFFAOYSA-N;138.17;-0.05;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nd_P2";;;;;;;-0.24;;-3.16;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM404789;MM404789;CC=CCOC(CN)CO;DPFCCFJYJPOMAQ-UHFFFAOYSA-N;145.2;-0.1;;;;;DOPC;MDCG;27;1;"MARTINI bead: Na_P2";;;;;;;-0.24;;-4.94;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM404790;MM404790;CNN=COCOC(C)=O;SRGWYCUTJWHJNR-UHFFFAOYSA-N;146.15;-0.31;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_Na";;;;;;;-0.24;;-3.24;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM404791;MM404791;OCC(CO)OCC=CF;KHSCWPMOSPRHDL-UHFFFAOYSA-N;150.15;-0.16;;;;;DOPC;MDCG;27;0;"MARTINI bead: P3_C5";;;;;;;-0.33;;-2.01;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM404792;MM404792;CNN=COC=CC(C)F;ASODNRBAEQGHEU-UHFFFAOYSA-N;146.17;1.04;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_C5";;;;;;;0.81;;-0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM404793;MM404793;OCC(CF)OCC=CF;UKWVETWRQBXSBO-UHFFFAOYSA-N;152.14;0.82;;;;;DOPC;MDCG;27;0;"MARTINI bead: P3_C4";;;;;;;0.23;;-1.03;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM404794;MM404794;C#CC(=CCC=CC)CC;FZXUKMFVXRHBSN-UHFFFAOYSA-N;134.22;2.92;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4_C2";;;;;;;4.16;;0.44;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM404795;MM404795;CCC(CC)OCC=NN;DIYFUOLLSXJKPZ-UHFFFAOYSA-N;144.22;1.14;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1_P2";;;;;;;1.8;;0.4;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM404796;MM404796;C#CC(=CCC=CF)CC;FLYFSJNADITNFN-UHFFFAOYSA-N;138.19;2.83;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4_C4";;;;;;;3.53;;0.53;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM404797;MM404797;CCC(CN)OCC=NO;QSTDCXJTUZNNDZ-UHFFFAOYSA-N;146.19;0.2;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_P2";;;;;;;-0.24;;-5.31;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM404798;MM404798;C#CC(=CCC=CC)CO;IBPIWVACJAUOBP-UHFFFAOYSA-N;136.19;1.5;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1_P3";;;;;;;0.94;;0.03;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM404799;MM404799;C=C1CC2C(O)C2(C)C1C;GADDTDUDKVKEKI-UHFFFAOYSA-N;138.21;1.58;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC3_SNda";;;;;;;2.57;;0.44;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM404800;MM404800;C#CC(=CCC=CC)CF;COWWUHYOWVHDHI-UHFFFAOYSA-N;138.19;2.48;;;;;DOPC;MDCG;27;0;"MARTINI bead: C2_C5";;;;;;;3.6;;0.34;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM404801;MM404801;COC(CN)OCC=CF;UTWUBHKXORVRSQ-UHFFFAOYSA-N;149.17;0.42;;;;;DOPC;MDCG;27;1;"MARTINI bead: P2_Na";;;;;;;-0.24;;-4.56;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM404802;MM404802;C#CC(=CCC=NN)CC;FRMVQAAGVSFNSK-UHFFFAOYSA-N;136.2;1.29;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4_Nd";;;;;;;2.2;;0.32;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM404803;MM404803;COC(CO)OCC=CF;YVNCJYKTRLEFAT-UHFFFAOYSA-N;150.15;0.45;;;;;DOPC;MDCG;27;0;"MARTINI bead: P3_C4";;;;;;;0.23;;-1.03;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM404804;MM404804;C#CC(=CCC=NO)CC;WVLCQZKPBFXHGG-UHFFFAOYSA-N;137.18;1.81;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4_P1";;;;;;;1.37;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM404805;MM404805;N#Cc1nc(=N)onc1N;LWYSLDJTOBGJBQ-UHFFFAOYSA-N;137.1;-1;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP2_SP2";;;;;;;-1.34;;-4.31;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM404806;MM404806;C#CC(=CCC=NN)CF;NBQUVBHMNITLML-UHFFFAOYSA-N;140.16;0.85;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nd_C5";;;;;;;1.64;;0.02;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM404807;MM404807;CCC(CC)ON=CNN;OOCVXKAQRPCIIB-UHFFFAOYSA-N;145.21;0.6;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1_P4";;;;;;;0.85;;-0.64;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM404808;MM404808;C#CC(=CCC=CC)OC;UKDVAMCCWNELNW-UHFFFAOYSA-N;136.19;2.12;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_C2";;;;;;;2.83;;0.35;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM404809;MM404809;C#CC1=CC(=O)N(C)CC1;SMKSWZLZQCFNIY-UHFFFAOYSA-N;135.17;0.41;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNda_SP1";;;;;;;0.04;;-2.73;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM404810;MM404810;C#CC(=CCC=NN)OC;QFJVBFPBBUDRFH-UHFFFAOYSA-N;138.17;0.48;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_Nd";;;;;;;0.87;;-1.88;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM404811;MM404811;CNc1nnc(=N)n(C)n1;YZUXXQTWOYQROS-UHFFFAOYSA-N;140.15;-1.27;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP2_SP3";;;;;;;-2.2;;-5.19;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM404812;MM404812;C#CC(=CN=CNN)CC;REHWUXBZNOFNLA-UHFFFAOYSA-N;137.19;0.41;;;;;DOPC;MDCG;27;1;"MARTINI bead: P3_C3";;;;;;;0.6;;-2;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM404813;MM404813;CCC(CF)ON=CNN;VGODCTYWIUUJFR-UHFFFAOYSA-N;149.17;0.16;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4_P4";;;;;;;0.15;;-2.18;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM404814;MM404814;C#CC(=CN=CNO)CN;YYABBSMKWRASSX-UHFFFAOYSA-N;139.16;-0.53;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_P4";;;;;;;-1.19;;-6.01;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM404815;MM404815;C=NN=C1CCC(=CF)N1;VJLSJCQIFCXNLV-UHFFFAOYSA-N;141.15;1.19;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNda_SN0";;;;;;;1.17;;-1.13;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM404816;MM404816;C#CC(=COC=CF)CC;LGAOZRXDJAEHJU-UHFFFAOYSA-N;140.16;2.37;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4_Na";;;;;;;2.2;;0.34;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM404817;MM404817;CC=CCCN(CC)CC;JNDPKFOCEMQVEV-UHFFFAOYSA-N;141.26;2.29;;;;;DOPC;MDCG;27;1;"MARTINI bead: C5_C2";;;;;;;3.6;;0.53;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM404818;MM404818;C#CC(=COC=CC)CO;LUIPIVPQRNGNGR-UHFFFAOYSA-N;138.17;1.05;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_Nda";;;;;;;0.87;;-1.99;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM404819;MM404819;C=CC(CC)CCC=CC;QIHMFZXFPVLPAS-UHFFFAOYSA-N;138.25;3.55;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1_C1";;;;;;;4.95;;0.69;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM404820;MM404820;C#CC(=COC=CF)CO;BNNNRFVWVPRORH-UHFFFAOYSA-N;142.13;0.95;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda_Na";;;;;;;0.87;;-1.99;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM404821;MM404821;C=CC(CC)CCC=CF;OYGZSANIZRCLOF-UHFFFAOYSA-N;142.22;3.46;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1_C4";;;;;;;4.24;;0.42;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM404822;MM404822;C#CC(=COC=CC)CF;ISGLLAYLGGELPN-UHFFFAOYSA-N;140.16;2.02;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_C5";;;;;;;1.64;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM404823;MM404823;CC=CCCC(C=O)CC;NSWJCWPSNYIVIO-UHFFFAOYSA-N;140.23;2.57;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_C1";;;;;;;3.68;;0.46;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM404824;MM404824;C#CC(=COC=CF)CF;CZPVWJFOOHCDDD-UHFFFAOYSA-N;144.12;1.93;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_Na";;;;;;;1.64;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM404826;MM404826;CC=CCC1C(C)C1(C)O;XWGBKXBPJGCRMY-UHFFFAOYSA-N;140.23;1.97;;;;;DOPC;MDCG;27;0;"MARTINI bead: C2_SNda";;;;;;;2.83;;0.57;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM404825;MM404825;CC=CCCC(C#N)CC;MSYAEFILIQVZHH-UHFFFAOYSA-N;137.23;2.89;;;;;DOPC;MDCG;27;0;"MARTINI bead: N0_C1";;;;;;;3.21;;0.46;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM404827;MM404827;C=CC(CN)CCC=CC;WQUNVFIVBVIRKX-UHFFFAOYSA-N;139.24;2.1;;;;;DOPC;MDCG;27;1;"MARTINI bead: C1_Nd";;;;;;;2.91;;-0.53;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM404828;MM404828;C#CC(=COC=NO)CO;KLGCTGSLUBGEIT-UHFFFAOYSA-N;141.13;-0.07;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_Nda";;;;;;;-0.24;;-3.31;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM404829;MM404829;C=CC(CN)CCC=CF;IOTFZSJIGLKKHN-UHFFFAOYSA-N;143.21;2.01;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_C4";;;;;;;2.2;;-2.19;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM404830;MM404830;C#CC(=COC=CC)OC;NHWZDTLZELAXSC-UHFFFAOYSA-N;138.17;1.66;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_Na";;;;;;;1.64;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM404831;MM404831;C=NN=C1CCC(NN)=N1;HLEFETPQNMMNJA-UHFFFAOYSA-N;139.16;-0.34;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNd_SN0";;;;;;;1.17;;-1.04;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM404832;MM404832;C#CC(=COC=CF)OC;CJKMKTIYPZISAB-UHFFFAOYSA-N;142.13;1.56;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_Na";;;;;;;0.87;;-2.22;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM404833;MM404833;C=CCC(O)CCC1CC1;XKUGOSWKDRAIKS-UHFFFAOYSA-N;140.23;2.11;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_SC5";;;;;;;2.41;;0.64;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM404834;MM404834;C=CCCCC(O)CCC;TVGQDJZFMGWPEO-UHFFFAOYSA-N;142.24;2.5;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda_C1";;;;;;;2.91;;0.57;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM404835;MM404835;CC=CCCC(C=O)CO;DQFJYDJUWYEHRD-UHFFFAOYSA-N;142.2;1.15;;;;;DOPC;MDCG;27;0;"MARTINI bead: C2_P2";;;;;;;1.72;;0.27;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM404836;MM404836;CCOC(C)OC=NNC;CMEMFTUZYRQBJG-UHFFFAOYSA-N;146.19;0.55;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_P2";;;;;;;0.54;;-1.09;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM404837;MM404837;CC=CCCC(C#N)CO;OWXGZJIWWUTJEX-UHFFFAOYSA-N;139.2;1.47;;;;;DOPC;MDCG;27;0;"MARTINI bead: C2_P2";;;;;;;1.72;;0.27;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM404838;MM404838;C=COC(C)OC=NNC;UNRIJYVFORQURH-UHFFFAOYSA-N;144.17;0.67;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_C5";;;;;;;0.54;;-1.09;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM404839;MM404839;C=CC(CF)CCC=CC;HSYGZGUSHGFJMZ-UHFFFAOYSA-N;142.22;3.11;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1_C5";;;;;;;3.68;;0.46;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM404840;MM404840;C=C(CCF)OC=NNC;JEHOYEWCWYRUIQ-UHFFFAOYSA-N;146.17;1.04;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_C5";;;;;;;0.54;;-1.09;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM404841;MM404841;CC=CCCC(C=O)CF;WXVGMSFPVXEOFA-UHFFFAOYSA-N;144.19;2.13;;;;;DOPC;MDCG;27;0;"MARTINI bead: C2_Na";;;;;;;2.83;;0.35;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM404842;MM404842;C=NNC(=N)ON=CC=O;DVVDXFSHJUNLFT-UHFFFAOYSA-N;142.12;-0.67;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_Na";;;;;;;0.04;;-2.54;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM404843;MM404843;CC=CCCC(C#N)CF;OWRKUOMDAYMEMI-UHFFFAOYSA-N;141.19;2.45;;;;;DOPC;MDCG;27;0;"MARTINI bead: C2_Na";;;;;;;2.83;;0.35;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM404844;MM404844;C#CC(CF)=NNC=NO;ACKMGAPSFMIHEN-UHFFFAOYSA-N;143.12;-0.05;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_Nda";;;;;;;0.04;;-2.73;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM404845;MM404845;C=CC(CC)CCC=NN;DLQMONGSMWKQJE-UHFFFAOYSA-N;140.23;1.92;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1_Nd";;;;;;;2.91;;0.64;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM404846;MM404846;C#CC=NOC(=N)NN=C;QXESLQGRSGDZFA-UHFFFAOYSA-N;138.13;-0.24;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_N0";;;;;;;0.34;;-1.53;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM404847;MM404847;C=CC1(O)CC2CC2C1=C;NTBLAUBSTZDVAS-UHFFFAOYSA-N;136.19;1.5;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC5_SC5";;;;;;;2.41;;0.64;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM404848;MM404848;C=CC(C=C)=CCC=CC;MRRUVDYKUNVUKR-UHFFFAOYSA-N;134.22;3.25;;;;;DOPC;MDCG;27;0;"MARTINI bead: C2_C2";;;;;;;4.78;;0.59;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM404849;MM404849;CCC(C=O)CCC=NO;JZQQGBOMKLPOTJ-UHFFFAOYSA-N;143.19;1.45;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_P1";;;;;;;0.81;;-0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM404850;MM404850;C=CC(C=C)=CCC=CF;OXVDPYXMQSKJJZ-UHFFFAOYSA-N;138.19;3.16;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4_C2";;;;;;;4.16;;0.44;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM404851;MM404851;C=CC(CN)CCC=NO;HMRBFKOPZJQDFR-UHFFFAOYSA-N;142.2;0.99;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_Nda";;;;;;;0.87;;-4.58;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM404852;MM404852;C=CC(C=O)=CCC=CC;JSMHSAQYYQKOCQ-UHFFFAOYSA-N;136.19;2.26;;;;;DOPC;MDCG;27;0;"MARTINI bead: C2_Na";;;;;;;2.83;;0.35;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM404853;MM404853;CC=CC(=O)C1NC1CC;SYOMACOYCNZCEB-UHFFFAOYSA-N;139.2;0.88;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNd_Na";;;;;;;0.87;;-1.88;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM404854;MM404854;C=CC(C#N)=CCC=CC;DJSSGUXELRYZOW-UHFFFAOYSA-N;133.19;2.59;;;;;DOPC;MDCG;27;0;"MARTINI bead: C2_C5";;;;;;;3.6;;0.34;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM404855;MM404855;C=CC(CO)CCC=NO;PIJBUCQKVFUYQF-UHFFFAOYSA-N;143.19;1.02;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda_Nda";;;;;;;0.87;;-2.07;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM404856;MM404856;C=CC(C#N)=CCC=CF;HLCZDQJNUIVYID-UHFFFAOYSA-N;137.16;2.5;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4_C5";;;;;;;2.97;;0.45;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM404857;MM404857;O=CC(CO)CCC=NO;QUAVJDXOGWHIKH-UHFFFAOYSA-N;145.16;0.03;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_Nda";;;;;;;-0.24;;-3.31;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM404858;MM404858;CC=CCC=C(C=O)C=O;GMWSCBKUODBRNA-UHFFFAOYSA-N;138.17;1.28;;;;;DOPC;MDCG;27;0;"MARTINI bead: C2_Na";;;;;;;2.83;;0.35;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM404859;MM404859;C=CC(CF)CCC=NN;ZFSVVCKIUJKAHD-UHFFFAOYSA-N;144.19;1.48;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nd_C4";;;;;;;2.2;;0.32;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM404860;MM404860;CC=CCC=C(C#N)C#N;JEDYNTMNZVSTOX-UHFFFAOYSA-N;132.17;1.93;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1_P2";;;;;;;1.8;;0.4;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM404861;MM404861;C=CC(CF)CCC=NO;DTXMGFKFCIZPBP-UHFFFAOYSA-N;145.18;2;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_C4";;;;;;;1.37;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM404862;MM404862;O=CC(C=O)=CCC=CF;HVBIREIJYNDUIY-UHFFFAOYSA-N;142.13;1.18;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4_Na";;;;;;;2.2;;0.34;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM404863;MM404863;C=CC(CCC=CC)NC;SZEOPVFGDAYDGB-UHFFFAOYSA-N;139.24;2.12;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_C2";;;;;;;2.83;;-0.53;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM404864;MM404864;C=CC(C=C)=CCC=NN;UPBVITNYOVTVAC-UHFFFAOYSA-N;136.2;1.62;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nd_C2";;;;;;;2.83;;0.62;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM404865;MM404865;C=CC(CCC=CF)NC;UXUGOQOCRPCMLB-UHFFFAOYSA-N;143.21;2.02;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_C4";;;;;;;2.2;;-2;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM404866;MM404866;C=CC(C=C)=CCC=NO;SGKCDQGQNMXDCR-UHFFFAOYSA-N;137.18;2.13;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_C2";;;;;;;2;;0.3;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM404867;MM404867;CC=CCCC(C=O)NC;CRGOYXSMEOZECI-UHFFFAOYSA-N;141.21;1.13;;;;;DOPC;MDCG;27;1;"MARTINI bead: P2_C2";;;;;;;1.72;;-0.63;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM404868;MM404868;C=CC(C#N)=CCC=NO;ZJIDFRVTMDZMQD-UHFFFAOYSA-N;136.15;1.47;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_C5";;;;;;;0.81;;-0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM404869;MM404869;CC=CCCC(C#N)NC;FHSAEWPWRFRLNC-UHFFFAOYSA-N;138.21;1.45;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_C1";;;;;;;1.8;;0.42;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM404870;MM404870;N#CC(C=O)=CCC=NO;KWJPAAAWWRIQSR-UHFFFAOYSA-N;138.13;0.49;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_Na";;;;;;;0.04;;-2.54;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM404871;MM404871;C=CC(CCC=CC)OC;QFQBKLWHAPLPGN-UHFFFAOYSA-N;140.23;2.54;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_C1";;;;;;;2.91;;0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM404872;MM404872;N#CC(C#N)=CCC=NO;PIXYDISXTMTIET-UHFFFAOYSA-N;135.13;0.81;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda_P2";;;;;;;-0.24;;-3.31;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM404873;MM404873;CC=CCCC(C#N)OC;DWTVHPFQKMNFLZ-UHFFFAOYSA-N;139.2;1.88;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_C1";;;;;;;2.08;;0.48;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM404874;MM404874;C=C1C(=CC)CCC1(C)O;GDQUUECFWFJLGA-UHFFFAOYSA-N;138.21;2.03;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC1_SNda";;;;;;;2.91;;0.57;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM404875;MM404875;COC(C#N)CCC=CF;DTFMKKIQWFFONE-UHFFFAOYSA-N;143.16;1.79;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_C3";;;;;;;1.74;;0.29;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM404876;MM404876;C=CC(C#N)=CNC=NC;DBLBYOKBCVXOLH-UHFFFAOYSA-N;135.17;0.83;;;;;DOPC;MDCG;27;1;"MARTINI bead: P2_C5";;;;;;;0.54;;-3.12;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM404877;MM404877;C=CC(CCC=NN)OC;CTYQFRDBPWDJRT-UHFFFAOYSA-N;142.2;0.91;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_Nd";;;;;;;1.64;;0.02;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM404878;MM404878;C=CC(C#N)=CNC=NO;LGTUTBDHPFMPNW-UHFFFAOYSA-N;137.14;0.59;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_N0";;;;;;;0.34;;-1.53;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM404879;MM404879;C=CC(CCC=NO)OC;XNKSMLDLRVPGOQ-UHFFFAOYSA-N;143.19;1.43;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_P1";;;;;;;0.81;;-0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM404880;MM404880;O=CC(C=O)=CNC=NO;DPWFFBXABAKECK-UHFFFAOYSA-N;142.11;-0.72;;;;;DOPC;MDCG;27;0;"MARTINI bead: P3_Na";;;;;;;-1.1;;-4.2;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM404881;MM404881;C=CC(CC)CN=CNC;DOBPKMFMYGRMHV-UHFFFAOYSA-N;140.23;1.45;;;;;DOPC;MDCG;27;1;"MARTINI bead: C1_P1";;;;;;;2.08;;-2.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM404882;MM404882;N#CC(C=O)=CNC=NO;DVOKVBLJGYVNBR-UHFFFAOYSA-N;139.11;-0.4;;;;;DOPC;MDCG;27;0;"MARTINI bead: P3_Na";;;;;;;-1.1;;-4.2;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM404883;MM404883;C=CC(CC)CN=CNN;SKNXVEAKSDNYLL-UHFFFAOYSA-N;141.22;0.69;;;;;DOPC;MDCG;27;1;"MARTINI bead: C1_P3";;;;;;;0.94;;-1.74;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM404884;MM404884;CC=C1C=CC(O)(CC)C1;AVTCQRHADYROAI-UHFFFAOYSA-N;138.21;2.03;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC5_SC3";;;;;;;3.34;;0.48;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM404885;MM404885;C=CC(CN)CNC=NC;RQQHYMIFGHLWLQ-UHFFFAOYSA-N;141.22;;;;;;DOPC;MDCG;27;1;"MARTINI bead: P2_Nd";;;;;;;-0.24;;-6.8;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM404886;MM404886;C#CC(=O)N(C)N=CNN;PTBAOAYFJSTPQN-UHFFFAOYSA-N;140.15;-1.52;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_P3";;;;;;;-1.1;;-4.2;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM404887;MM404887;C=CC(CF)CNC=NC;QKWARNWUDOVNOL-UHFFFAOYSA-N;144.19;1.01;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1_C5";;;;;;;0.81;;-4.11;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM404888;MM404888;C=C(C#N)OC=NNCC;ZCTBDJHJHRFYFQ-UHFFFAOYSA-N;139.16;0.59;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nd_Na";;;;;;;0.87;;-1.88;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM404889;MM404889;CN=CNCC(C=O)CF;CPHXOXVWQCPBNQ-UHFFFAOYSA-N;146.17;0.02;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1_P1";;;;;;;-0.79;;-6.7;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM404890;MM404890;CNN=COC=C(C)CF;LFNQMGVPZUVCRC-UHFFFAOYSA-N;146.17;1.04;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda_Na";;;;;;;0.87;;-1.99;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM404891;MM404891;NNC=NC=NOCCF;BJXFZOPBNXOTEN-UHFFFAOYSA-N;148.14;-0.59;;;;;DOPC;MDCG;27;0;"MARTINI bead: P3_C5";;;;;;;-0.33;;-2.01;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM404892;MM404892;C#CC(C)=COC=NNC;WUBJPWPMZADOCB-UHFFFAOYSA-N;138.17;0.7;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_C5";;;;;;;0.54;;-1.09;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM404893;MM404893;C=C1C(=C)C2C(C)C2C1O;SWXDALBYMZVMCL-UHFFFAOYSA-N;136.19;1.36;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC5_SNda";;;;;;;1.64;;0.05;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM404894;MM404894;C=CC(C=C)=COC=CF;CGKXRGMNKZDASL-UHFFFAOYSA-N;140.16;2.7;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_C2";;;;;;;2.83;;0.35;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM404895;MM404895;Cc1nc(N)co1;NJZGUJMVUBUAOC-UHFFFAOYSA-N;98.11;0.57;;;;;DOPC;MDCG;27;0;"MARTINI bead: SN0_SP1";;;;;;;0.34;;-1.53;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM404896;MM404896;C=CC(C#N)=COC=CC;PIYKUXPMEOIJFF-UHFFFAOYSA-N;135.17;2.13;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_C5";;;;;;;1.64;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM404897;MM404897;CNc1cc[nH]c1;JWXKCUOGVRQPLZ-UHFFFAOYSA-N;96.13;1.06;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNd_SNd";;;;;;;0.87;;-2.11;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM404898;MM404898;C=CC(C=O)=COC=CF;DYQKZMSAWWEJGE-UHFFFAOYSA-N;142.13;1.71;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_Na";;;;;;;0.87;;-2.22;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM404899;MM404899;C=C1C=CCC1(C)O;YZHPMNOCYMCURP-UHFFFAOYSA-N;110.16;1.25;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNda_SC4";;;;;;;2.2;;0.49;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM404900;MM404900;C=CC(C#N)=COC=CF;TWFZCQQDABXQEM-UHFFFAOYSA-N;139.13;2.04;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_C5";;;;;;;1.64;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM404901;MM404901;C=CC(CN=CNN)NC;WSOYEBKBVGTUPF-UHFFFAOYSA-N;142.21;-0.75;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_P3";;;;;;;-1.1;;-5.65;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM404902;MM404902;CC=COC=C(C=O)C=O;XNLPQCWFNVGKDA-UHFFFAOYSA-N;140.14;0.82;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_Na";;;;;;;0.87;;-2.22;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM404903;MM404903;CN=CNCC(C=O)NC;KHMZHMGZEVZPFF-UHFFFAOYSA-N;143.19;-0.98;;;;;DOPC;MDCG;27;1;"MARTINI bead: P2_P1";;;;;;;-1.06;;-7.12;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM404904;MM404904;CC=COC=C(C#N)C=O;NPTOEJGQOLVEBP-UHFFFAOYSA-N;137.14;1.14;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_Na";;;;;;;0.87;;-2.22;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM404905;MM404905;CN=CNCC(C#N)NC;ZDJLTZLJARAVOB-UHFFFAOYSA-N;140.19;-0.65;;;;;DOPC;MDCG;27;1;"MARTINI bead: P2_P1";;;;;;;-1.06;;-6.96;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM404906;MM404906;CC=COC=C(C#N)C#N;ZJKYHVQDAFAEOU-UHFFFAOYSA-N;134.14;1.47;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_N0";;;;;;;1.17;;-1.18;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM404907;MM404907;C=CC(CNN=CC)NC;UPIHTZSUYIUMRJ-UHFFFAOYSA-N;141.22;0.36;;;;;DOPC;MDCG;27;1;"MARTINI bead: P2_C5";;;;;;;0.54;;-2.17;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM404908;MM404908;O=CC(C=O)=COC=CF;MKVYBTXHGDWIIL-UHFFFAOYSA-N;144.1;0.73;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_Na";;;;;;;0.87;;-2.22;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM404909;MM404909;CNC=NCC(C=O)OC;YADQGNMUUGBVQJ-UHFFFAOYSA-N;144.17;-0.55;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1_P1";;;;;;;-0.79;;-6.2;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM404910;MM404910;N#CC(C=O)=COC=CF;CYFSNCLFADVEDR-UHFFFAOYSA-N;141.1;1.05;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_Na";;;;;;;0.87;;-2.22;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM404911;MM404911;C=CC(CNN=CC)OC;HSVDRJKRNVXWMA-UHFFFAOYSA-N;142.2;0.78;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_Nd";;;;;;;0.87;;-1.88;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM404912;MM404912;N#CC(C#N)=COC=CF;WMRISBDLNVWMSN-UHFFFAOYSA-N;138.1;1.37;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_N0";;;;;;;1.17;;-1.18;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM404913;MM404913;C=CC(CC)COC=CC;XZYNAQHSDFSKSL-UHFFFAOYSA-N;140.23;2.75;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1_C5";;;;;;;3.68;;0.46;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM404914;MM404914;C#CC(ON=C)C(C)OC;GSMAQVLRSCLMJK-UHFFFAOYSA-N;141.17;0.66;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_Na";;;;;;;0.87;;-2.22;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM404915;MM404915;C=CC(CC)COC=CF;DLHLWCSWNYHHSN-UHFFFAOYSA-N;144.19;2.66;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1_Na";;;;;;;2.91;;0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM404916;MM404916;O=CC(C=O)=COC=NO;NPBRDGLYHOYQSP-UHFFFAOYSA-N;143.1;-0.3;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_Na";;;;;;;-0.24;;-3.24;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM404917;MM404917;CC=COCC(C=O)CC;GBWLPGRMYVZORV-UHFFFAOYSA-N;142.2;1.76;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_C5";;;;;;;2.41;;0.64;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM404918;MM404918;N#CC(C=O)=COC=NO;YXXGIZUCLRUBKN-UHFFFAOYSA-N;140.1;0.03;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_Na";;;;;;;-0.24;;-3.24;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM404919;MM404919;CC=COCC(C#N)CC;KAHGTNQPRQRLDB-UHFFFAOYSA-N;139.2;2.09;;;;;DOPC;MDCG;27;0;"MARTINI bead: N0_C5";;;;;;;1.94;;0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM404920;MM404920;C=NOC(=NN)C(C)=NN;PLGLFJSVHJXMRR-UHFFFAOYSA-N;143.15;-0.77;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nd_P1";;;;;;;0.04;;-2.63;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM404921;MM404921;C=CC(CN)COC=CC;XXFJYAXYGDFZTL-UHFFFAOYSA-N;141.21;1.3;;;;;DOPC;MDCG;27;1;"MARTINI bead: C5_Nd";;;;;;;1.64;;-2.6;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM404922;MM404922;C=CC(C#N)=NNC=NO;RHEMKVDITXCHGH-UHFFFAOYSA-N;138.13;0.06;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_Nd";;;;;;;0.04;;-2.63;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM404923;MM404923;C=CC(CN)COC=CF;ODLBGZMIHDCNMB-UHFFFAOYSA-N;145.18;1.2;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_Na";;;;;;;0.87;;-4.58;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM404924;MM404924;CNN=C(C#N)C(C)=CN;JXDKQPNRFHVPBA-UHFFFAOYSA-N;138.17;-0.05;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nd_P2";;;;;;;-0.24;;-3.16;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM404925;MM404925;C=CC(CO)COC=CC;XECARYSDMYRTTG-UHFFFAOYSA-N;142.2;1.33;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_Nda";;;;;;;1.64;;0.05;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM404926;MM404926;N#CC(C=O)=NNC=NO;DUASZHWIVVFXSF-UHFFFAOYSA-N;140.1;-0.93;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_P1";;;;;;;-0.79;;-3.13;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM404927;MM404927;C=CC(CO)COC=CF;ZUOVMSOJZGUZOB-UHFFFAOYSA-N;146.16;1.24;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda_N0";;;;;;;1.17;;-1.13;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM404928;MM404928;C#CC(C=C)=CCC=CC;HDYBRBWPFUVOOK-UHFFFAOYSA-N;132.21;2.7;;;;;DOPC;MDCG;27;0;"MARTINI bead: C2_C4";;;;;;;4.16;;0.44;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM404929;MM404929;CC=COCC(C#N)CO;GDERLTJUJFBALV-UHFFFAOYSA-N;141.17;0.67;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_P2";;;;;;;0.54;;-1.09;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM404930;MM404930;C#CC(C=C)=CCC=CF;VARGGEAPRFYHIF-UHFFFAOYSA-N;136.17;2.61;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4_C4";;;;;;;3.53;;0.53;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM404931;MM404931;C=CC(CF)COC=CC;BBDHZEHVUSZELY-UHFFFAOYSA-N;144.19;2.31;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_C4";;;;;;;2.2;;0.34;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM404932;MM404932;C#CC(C=O)=CCC=CC;LPELDNWWTMPTJH-UHFFFAOYSA-N;134.18;1.71;;;;;DOPC;MDCG;27;0;"MARTINI bead: C2_Na";;;;;;;2.83;;0.35;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM404933;MM404933;CC=COCC(C#N)CF;VFACMZSZPGWKFV-UHFFFAOYSA-N;143.16;1.65;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_Na";;;;;;;1.64;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM404934;MM404934;C#CC(C#N)=CCC=CC;ILQAAAFEPNEBHM-UHFFFAOYSA-N;131.18;2.04;;;;;DOPC;MDCG;27;0;"MARTINI bead: C2_N0";;;;;;;3.13;;0.3;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM404935;MM404935;Nc1nc(=O)n(N)o1;PLRJBDYYBOAJJN-UHFFFAOYSA-N;116.08;-1.87;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP1_SP3";;;;;;;-1.93;;-4.72;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM404936;MM404936;C=CC(CC)COC=NO;KTKLWCKUOMUOJR-UHFFFAOYSA-N;143.19;1.63;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1_P2";;;;;;;1.8;;0.4;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM404937;MM404937;C#CC(C#N)=CCC=CF;IUTINMATNJHPJZ-UHFFFAOYSA-N;135.14;1.94;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4_N0";;;;;;;2.5;;0.44;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM404938;MM404938;CCC(C#N)COC=NO;LVMSYGMXZCMQFG-UHFFFAOYSA-N;142.16;0.97;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_P1";;;;;;;0.81;;-0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM404939;MM404939;C#CC(C=C)=CCC=NO;DVJRTGFXSBRVBN-UHFFFAOYSA-N;135.17;1.58;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_C4";;;;;;;1.37;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM404940;MM404940;C=CC(CN)COC=NO;JPAHQZRPUXTZSY-UHFFFAOYSA-N;144.17;0.18;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_P2";;;;;;;-0.24;;-6.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM404941;MM404941;C#CC(C#N)=CCC=NO;BGWUCHHLQXDKMI-UHFFFAOYSA-N;134.14;0.92;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_N0";;;;;;;0.34;;-1.53;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM404942;MM404942;O=CC(CO)COC=NO;UATIVBJTHWWXTJ-UHFFFAOYSA-N;147.13;-0.77;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_P2";;;;;;;-1.34;;-4.31;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM404943;MM404943;C=CC(=NNCC)ON=C;XQZNFISSHBQJHA-UHFFFAOYSA-N;141.17;0.73;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_C5";;;;;;;0.81;;-0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM404944;MM404944;C=NNCC(C#N)=C(C)F;LIQDBNLMNATQIC-UHFFFAOYSA-N;141.15;0.96;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_P2";;;;;;;0.54;;-1.09;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM404945;MM404945;N#CC(CO)COC=NO;KEKBZIGLQAMDNE-UHFFFAOYSA-N;144.13;-0.45;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_P2";;;;;;;-1.34;;-4.31;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM404946;MM404946;C=CC1(O)CCC1C;AEDVHIMAGSXBFC-UHFFFAOYSA-N;112.17;1.33;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC4_SNda";;;;;;;2.2;;0.49;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM404947;MM404947;CCC1=CC2C(C)C2(O)C1;YWKQQJUYBXQLFX-UHFFFAOYSA-N;138.21;1.72;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC2_SNda";;;;;;;2.83;;0.57;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM404948;MM404948;C=CC(CF)COC=NO;ZREWIOZNJJFQPS-UHFFFAOYSA-N;147.15;1.19;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_C5";;;;;;;0.54;;-1.09;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM404949;MM404949;C#CC(C=C)=COC=CF;QLZCIRQWNGHQKL-UHFFFAOYSA-N;138.14;2.15;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_C4";;;;;;;2.2;;0.34;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM404950;MM404950;C=CC(CC)CON=CC;YJJKXSHNLIZNPA-UHFFFAOYSA-N;141.21;2.22;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1_Na";;;;;;;2.91;;0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM404951;MM404951;C#CC(C=O)=COC=CC;DHBHMNZZYOHYID-UHFFFAOYSA-N;136.15;1.25;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_Na";;;;;;;0.87;;-2.22;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM404953;MM404953;C#CC(C#N)=COC=CC;LIMMJNZDUZMGKJ-UHFFFAOYSA-N;133.15;1.58;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_N0";;;;;;;1.17;;-1.18;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM404952;MM404952;CCNc1cc[nH]c1;CFFPHYHCNTVGRJ-UHFFFAOYSA-N;110.16;1.45;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC5_SNd";;;;;;;1.64;;0.02;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM404954;MM404954;C#CC(C#N)=COC=CF;WXRQHTQGYFNGCR-UHFFFAOYSA-N;137.11;1.48;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_N0";;;;;;;1.17;;-1.18;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM404955;MM404955;CC=NOCC(C#N)CC;QWZMURNRGOHMSJ-UHFFFAOYSA-N;140.19;1.56;;;;;DOPC;MDCG;27;0;"MARTINI bead: N0_Na";;;;;;;1.17;;-1.18;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM404956;MM404956;C#CC(C=C)=COC=NO;ACGSYXPGNDWHTN-UHFFFAOYSA-N;137.14;1.12;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_C5";;;;;;;0.54;;-1.09;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM404957;MM404957;CN1CC1C(=O)C=O;WXDPFLIJLLNQFV-UHFFFAOYSA-N;113.12;-0.93;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP1_Na";;;;;;;0.04;;-2.54;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM404958;MM404958;C=NNCCC(C=O)OC;DZMIDQMZWIVDIP-UHFFFAOYSA-N;144.17;-0.2;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_Nd";;;;;;;0.04;;-2.63;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM404959;MM404959;CN1C2CC(=O)CC21;WIAGAEJEULGJDJ-UHFFFAOYSA-N;111.14;0.03;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP1_SNa";;;;;;;0.04;;-2.54;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM404960;MM404960;C#CC(C=O)=NNC=NO;REAKMHYTUJZGSG-UHFFFAOYSA-N;139.11;-0.82;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda_P2";;;;;;;-0.24;;-3.31;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM404961;MM404961;C=CC(CF)CON=CC;UOMNSOSTCGUMBH-UHFFFAOYSA-N;145.18;1.78;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_C5";;;;;;;1.64;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM404962;MM404962;CCC(OC)OC=NNC;IMOPFXQMBGYLRJ-UHFFFAOYSA-N;146.19;0.55;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_P1";;;;;;;0.81;;-0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM404963;MM404963;CC=NOCC(C#N)CF;GNYMCNLGOWMISP-UHFFFAOYSA-N;144.15;1.12;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_Na";;;;;;;0.87;;-2.22;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM404964;MM404964;C#CC(C#C)=CCC=CC;UUVCNWLHRBFSGO-UHFFFAOYSA-N;130.19;2.15;;;;;DOPC;MDCG;27;0;"MARTINI bead: C2_C5";;;;;;;3.6;;0.34;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM404965;MM404965;C=CC(COC=CC)NC;LSZCWOLVEITBGP-UHFFFAOYSA-N;141.21;1.31;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_C5";;;;;;;1.64;;-1.61;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM404966;MM404966;C#CC(C#C)=CCC=CF;YZFXZJSVQNXGRV-UHFFFAOYSA-N;134.15;2.05;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4_C5";;;;;;;2.97;;0.45;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM404967;MM404967;C=CC(COC=CF)NC;GBPMXDUZKMWFRJ-UHFFFAOYSA-N;145.18;1.22;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_N0";;;;;;;1.17;;-2.75;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM404968;MM404968;C#CC(C#C)=CCC=NN;WTCUSGBZAOPANU-UHFFFAOYSA-N;132.17;0.51;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nd_C5";;;;;;;1.64;;0.02;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM404969;MM404969;CC=COCC(C#N)NC;FPXSDUBCAGWADH-UHFFFAOYSA-N;140.19;0.65;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_C5";;;;;;;0.54;;-1.09;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM404970;MM404970;C#CC(C#C)=CCC=NO;GNGVGZJXFJWYFO-UHFFFAOYSA-N;133.15;1.03;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_C5";;;;;;;0.81;;-0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM404971;MM404971;C=CC(COC=NO)NC;DXQMAMWZNKRALB-UHFFFAOYSA-N;144.17;0.19;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_P2";;;;;;;-0.24;;-4.79;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM404972;MM404972;C#CC(C#C)=CNC=NC;KQCOVWJRXFQJQS-UHFFFAOYSA-N;132.17;0.38;;;;;DOPC;MDCG;27;1;"MARTINI bead: P2_C5";;;;;;;0.54;;-3.12;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM404973;MM404973;C=CC(COC=CC)OC;SEQSQSSUBXHAQH-UHFFFAOYSA-N;142.2;1.74;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_C5";;;;;;;1.64;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM404974;MM404974;C#CC(C#C)=CNC=NO;LFLMMPYMUWHHMA-UHFFFAOYSA-N;134.14;0.14;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_Nd";;;;;;;0.04;;-2.63;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM404975;MM404975;C=CC(COC=CF)OC;BDOVGIKBFLPZQG-UHFFFAOYSA-N;146.16;1.64;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_Na";;;;;;;1.64;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM404976;MM404976;C#CC(C#C)=COC=CC;KDVCBKLBVFUJQV-UHFFFAOYSA-N;132.16;1.69;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_C5";;;;;;;1.64;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM404977;MM404977;CC=COCC(C=O)OC;NMCMNEQSKWHBON-UHFFFAOYSA-N;144.17;0.75;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_C5";;;;;;;0.81;;-0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM404978;MM404978;C#CC(C#C)=COC=CF;APACGFXPPGGKND-UHFFFAOYSA-N;136.13;1.59;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_C5";;;;;;;1.64;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM404979;MM404979;CC=COCC(C#N)OC;XUXVHZAWUUCGBM-UHFFFAOYSA-N;141.17;1.08;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_C5";;;;;;;0.81;;-0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM404980;MM404980;CC#CCC=C(CC)CC;RGYNVRAWGJUHHQ-UHFFFAOYSA-N;136.24;3.15;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1_C4";;;;;;;4.24;;0.42;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM404981;MM404981;COC(C#N)COC=CF;MXOTYZWLFCIVPR-UHFFFAOYSA-N;145.13;0.98;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_N0";;;;;;;0.34;;-1.53;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM404982;MM404982;CC#CCC=C(CC)CN;XNLQRVYFLWFBFT-UHFFFAOYSA-N;137.23;1.69;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_C4";;;;;;;2.2;;-1.67;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM404983;MM404983;C=CC(COC=NO)OC;OHYKYTZPXVLNRS-UHFFFAOYSA-N;145.16;0.62;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_N0";;;;;;;0.34;;-1.53;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM404984;MM404984;C#CC(=O)CCN1CC1C;DTPGHNRHVQPDFW-UHFFFAOYSA-N;137.18;0.28;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNd_Na";;;;;;;0.87;;-1.88;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM404985;MM404985;C=CC(CON=CC)OC;UHPZNUTWEFRPLM-UHFFFAOYSA-N;143.19;1.21;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_Na";;;;;;;0.87;;-2.22;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM404986;MM404986;CC#CCC=C(CC)CF;JFGRQYFQYGYAON-UHFFFAOYSA-N;140.2;2.71;;;;;DOPC;MDCG;27;0;"MARTINI bead: C3_C4";;;;;;;3.9;;0.47;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM404987;MM404987;C=CC(CC)NCC=CC;KMAARBIDSDTLSY-UHFFFAOYSA-N;139.24;2.12;;;;;DOPC;MDCG;27;1;"MARTINI bead: C1_Nd";;;;;;;2.91;;0.15;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM404988;MM404988;CC#CCC=C(CN)CF;AKOMPICNSIOZSB-UHFFFAOYSA-N;141.19;1.25;;;;;DOPC;MDCG;27;1;"MARTINI bead: C4_P1";;;;;;;1.37;;-2.11;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM404989;MM404989;C=CC(CC)NCC=CF;JTQSQDIMNWETOB-UHFFFAOYSA-N;143.21;2.02;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_C4";;;;;;;2.2;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM404990;MM404990;CC#CCC=C(CO)CF;UHPXTPKNKQVKSZ-UHFFFAOYSA-N;142.17;1.29;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4_Nda";;;;;;;2.2;;0.49;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM404991;MM404991;CC=CCNC(C#N)CC;OZXAPUDXOPTITE-UHFFFAOYSA-N;138.21;1.45;;;;;DOPC;MDCG;27;0;"MARTINI bead: N0_Nd";;;;;;;1.17;;-1.04;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM404992;MM404992;CC#CCC=C(CC)OC;JQOIXRGIQCSJEK-UHFFFAOYSA-N;138.21;2.34;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4_C4";;;;;;;3.53;;0.53;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM404993;MM404993;CCC(C#N)NCC=CF;FDPPDKIHFDCPIL-UHFFFAOYSA-N;142.18;1.36;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_C4";;;;;;;1.37;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM404994;MM404994;CC#CCC=C(CN)OC;WWUAEOFJWMVQFJ-UHFFFAOYSA-N;139.2;0.89;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1_C4";;;;;;;1.37;;-1.39;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM404995;MM404995;C=CC(CN)NCC=CC;UYBFDSVVPNNMBP-UHFFFAOYSA-N;140.23;0.67;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_Nd";;;;;;;0.87;;-4.16;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM404996;MM404996;CC#CCC=C(CO)OC;LEGNAWGZKYGPTM-UHFFFAOYSA-N;140.18;0.92;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda_C4";;;;;;;2.2;;0.49;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM404997;MM404997;C=CC(CO)NCC=CC;VFYRYQWTSQOPNS-UHFFFAOYSA-N;141.21;0.7;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_Nda";;;;;;;0.87;;-3.11;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM404998;MM404998;CC#CCN=C(NC)NC;VCTPJEOYSVHLFI-UHFFFAOYSA-N;139.2;-0.2;;;;;DOPC;MDCG;27;1;"MARTINI bead: P2_C4";;;;;;;1.09;;-4.57;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM404999;MM404999;CC1(C)C=CC(C)(O)C1;YMOKDVQBQRSIPS-UHFFFAOYSA-N;126.2;1.72;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC3_SNda";;;;;;;2.57;;0.44;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM405000;MM405000;CC#CCN=C(NC)NN;RMONYGGHHLSRKH-UHFFFAOYSA-N;140.19;-0.95;;;;;DOPC;MDCG;27;1;"MARTINI bead: P3_C4";;;;;;;0.23;;-4.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM405001;MM405001;C=CC(CN)NNC=NC;ZSHQAOBJINNZKU-UHFFFAOYSA-N;142.21;-0.75;;;;;DOPC;MDCG;27;1;"MARTINI bead: P3_Nd";;;;;;;-1.1;;-6.2;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM405002;MM405002;CC#CCN=C(NC)NO;WREAGTKEGVNDSI-UHFFFAOYSA-N;141.17;-0.44;;;;;DOPC;MDCG;27;1;"MARTINI bead: P3_C4";;;;;;;0.23;;-3.17;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM405003;MM405003;C=CC(CN)NN=CNO;IYEURMCFUDHLEU-UHFFFAOYSA-N;144.18;-0.99;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_P4";;;;;;;-1.19;;-6.18;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM405004;MM405004;CC#CCN=C(NN)OC;ZVHKRIBQFGJATM-UHFFFAOYSA-N;141.17;-0.52;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_C4";;;;;;;1.09;;-0.37;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM405005;MM405005;C=CC(CO)NNC=NC;IOIZVWLMDVLLBI-UHFFFAOYSA-N;143.19;-0.71;;;;;DOPC;MDCG;27;1;"MARTINI bead: P3_Nda";;;;;;;-1.1;;-6.19;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM405006;MM405006;N=Cn1nnnc(N)c1=N;PCQGWWJCIUNVOV-UHFFFAOYSA-N;139.12;-1.81;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP2_SP3";;;;;;;-2.2;;-5.19;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM405007;MM405007;CN=CNNC(C#N)CO;JJFIHKJYJPVKHO-UHFFFAOYSA-N;142.16;-1.38;;;;;DOPC;MDCG;27;1;"MARTINI bead: P3_P2";;;;;;;-2.2;;-7.34;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM405008;MM405008;C=CC(=CCC#CC)CC;HUNGSGXHVCPPBI-UHFFFAOYSA-N;134.22;2.92;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1_C4";;;;;;;4.24;;0.42;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM405009;MM405009;CC1=CC(C)(O)CC1C;XPFHYZHOOXFOHP-UHFFFAOYSA-N;126.2;1.72;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNda_SC2";;;;;;;2.83;;0.57;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM405010;MM405010;CC#CCC=C(C=O)CC;PSXMMPNHNASQNK-UHFFFAOYSA-N;136.19;1.94;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_C4";;;;;;;2.2;;0.34;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM405011;MM405011;C#CC1=CCC(C)(O)C1;BZZVFZDDIUTRCM-UHFFFAOYSA-N;122.17;1.09;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNda_SC5";;;;;;;1.64;;0.05;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM405012;MM405012;CC#CCC=C(C#N)CC;WLXKMGGNPUPCIA-UHFFFAOYSA-N;133.19;2.26;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_C4";;;;;;;2.97;;0.45;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM405013;MM405013;C=CC(CF)NNC=NC;RBXXVDBOLUCHRF-UHFFFAOYSA-N;145.18;0.26;;;;;DOPC;MDCG;27;1;"MARTINI bead: P3_C5";;;;;;;-0.33;;-4.23;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM405014;MM405014;C=CC(=CCC#CC)CN;QYVBVHGXQVALOU-UHFFFAOYSA-N;135.21;1.47;;;;;DOPC;MDCG;27;1;"MARTINI bead: C4_Nd";;;;;;;2.2;;-1.63;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM405015;MM405015;C=CC(CC)OCC=CC;VXXDUCAKAVBVHP-UHFFFAOYSA-N;140.23;2.54;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1_Na";;;;;;;2.91;;0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM405016;MM405016;C=CC(=CCC#CC)CO;TVBQBWVMYCIVPI-UHFFFAOYSA-N;136.19;1.5;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4_Nda";;;;;;;2.2;;0.49;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM405017;MM405017;CC=CCOC(C#N)CC;HSVZAXBQTAWXRX-UHFFFAOYSA-N;139.2;1.88;;;;;DOPC;MDCG;27;0;"MARTINI bead: N0_Na";;;;;;;1.17;;-1.18;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM405018;MM405018;CC#CCC=C(C=O)CO;JWDLQEWZNSQGRS-UHFFFAOYSA-N;138.17;0.52;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4_P2";;;;;;;1.09;;-0.38;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM405019;MM405019;CCC(C#N)OCC=CF;FEWOFVNNSHBHMO-UHFFFAOYSA-N;143.16;1.79;;;;;DOPC;MDCG;27;0;"MARTINI bead: N0_Na";;;;;;;1.17;;-1.18;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM405020;MM405020;CC#CCC=C(C#N)CO;XAGFWPPFMLMPPO-UHFFFAOYSA-N;135.17;0.84;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4_P1";;;;;;;1.37;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM405021;MM405021;C=CC(CN)OCC=CC;KLTZCYHAVDPFNJ-UHFFFAOYSA-N;141.21;1.09;;;;;DOPC;MDCG;27;1;"MARTINI bead: Na_Nd";;;;;;;0.87;;-3.91;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM405022;MM405022;C=CC(=CCC#CC)CF;MOPMGYIAVLRFRG-UHFFFAOYSA-N;138.19;2.48;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4_C4";;;;;;;3.53;;0.53;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM405023;MM405023;CC=CCOC(C=O)CO;MBNMYXRTJDJBEM-UHFFFAOYSA-N;144.17;0.14;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4_P3";;;;;;;0.23;;-1.03;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM405024;MM405024;CC#CCC=C(C=O)CF;SDSVXFZATCXZJI-UHFFFAOYSA-N;140.16;1.49;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4_Na";;;;;;;2.2;;0.34;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM405025;MM405025;CC=CCOC(C#N)CO;GWHHJYZZVMWKFQ-UHFFFAOYSA-N;141.17;0.46;;;;;DOPC;MDCG;27;0;"MARTINI bead: C2_P4";;;;;;;0.77;;-0.87;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM405026;MM405026;CC#CCC=C(C#N)CF;NQECAJZWRRPHJZ-UHFFFAOYSA-N;137.16;1.82;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4_Na";;;;;;;2.2;;0.34;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM405027;MM405027;O=CC(CO)OCC=CF;KCUUMLRWFPWTNW-UHFFFAOYSA-N;148.13;0.05;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_Na";;;;;;;-0.24;;-3.24;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM405028;MM405028;C=CC(=CCC#CC)OC;FJSRUMGNVZNUEA-UHFFFAOYSA-N;136.19;2.12;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4_C4";;;;;;;3.53;;0.53;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM405029;MM405029;C=CC(CC)OCC=NN;SICUBLVYBJORNG-UHFFFAOYSA-N;142.2;0.91;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1_P2";;;;;;;1.8;;0.4;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM405030;MM405030;CC#CCC=C(C=O)OC;VMKPWDOJSSWHOE-UHFFFAOYSA-N;138.17;1.13;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_C4";;;;;;;2.2;;0.34;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM405031;MM405031;C=CC(=O)CNCC#N;AFXTZFJZBZMNPU-UHFFFAOYSA-N;124.14;-0.15;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_P2";;;;;;;-0.24;;-3.24;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM405032;MM405032;CC#CCC=C(C#N)OC;HALGZFJZROMSIW-UHFFFAOYSA-N;135.17;1.45;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_C4";;;;;;;2.2;;0.34;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM405033;MM405033;C=CC(OC)OCC=CF;ZVSXZFCYWZJUAR-UHFFFAOYSA-N;146.16;1.64;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_C4";;;;;;;1.37;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM405034;MM405034;C#CC(=CCC#CC)CC;HTJIFYTUJCCJMA-UHFFFAOYSA-N;132.21;2.37;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4_C4";;;;;;;3.53;;0.53;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM405035;MM405035;CC=CCOC(C=O)OC;CSKHLXCGRVQCDN-UHFFFAOYSA-N;144.17;0.75;;;;;DOPC;MDCG;27;0;"MARTINI bead: P3_C2";;;;;;;0.86;;-0.3;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM405036;MM405036;C#CC(=CCC#CC)CN;IOKJGUXVICTNCG-UHFFFAOYSA-N;133.19;0.92;;;;;DOPC;MDCG;27;1;"MARTINI bead: C4_Nd";;;;;;;2.2;;-1.21;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM405037;MM405037;C=CC(OC)OCC=NN;ABOQHWFSXHKFAQ-UHFFFAOYSA-N;144.17;0.11;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_N0";;;;;;;0.34;;-1.53;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM405038;MM405038;C#CC(=CCC#CC)CO;PIDHQROAYANKEC-UHFFFAOYSA-N;134.18;0.95;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4_Nda";;;;;;;2.2;;0.49;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM405039;MM405039;C=CC1(C)CC=CC1O;XDXZNAAZBYPPAP-UHFFFAOYSA-N;124.18;1.5;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC2_SNda";;;;;;;2.83;;0.57;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM405040;MM405040;C#CC(=CCC#CC)CF;CMOCIDRWWLNMEV-UHFFFAOYSA-N;136.17;1.93;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4_C5";;;;;;;2.97;;0.45;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM405041;MM405041;C=CC(CN)ON=CNO;GOAGOJKFNRNPCY-UHFFFAOYSA-N;145.16;-0.56;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_P4";;;;;;;-1.19;;-6.22;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM405042;MM405042;C#CC(=CCC#CC)OC;OJAFGBJNDYKXRH-UHFFFAOYSA-N;134.18;1.56;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_C4";;;;;;;2.2;;0.34;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM405043;MM405043;CNN=C(C=O)C=CN;XHNBRFUGVMCYBS-UHFFFAOYSA-N;127.15;-0.77;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_P1";;;;;;;-0.79;;-3.13;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM405044;MM405044;C=CC(C=C)=CCC#CC;JCGIUQOTKWPNOX-UHFFFAOYSA-N;132.21;2.7;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4_C2";;;;;;;4.16;;0.44;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM405045;MM405045;C=C1CC(=C)C(O)C1C;PQYWQRQCVDRBTI-UHFFFAOYSA-N;124.18;1.5;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNda_SC3";;;;;;;2.57;;0.44;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM405046;MM405046;C=CC(C=O)=CCC#CC;SFJLKGRLVQEAFP-UHFFFAOYSA-N;134.18;1.71;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4_Na";;;;;;;2.2;;0.34;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM405048;MM405048;CC=CCCN(C=O)CC;JXNODXLPBGRZSF-UHFFFAOYSA-N;141.21;1.43;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_C2";;;;;;;2;;0.29;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM405047;MM405047;C=CC(C#N)=CCC#CC;OAGWPEYQELUDOJ-UHFFFAOYSA-N;131.18;2.04;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4_C5";;;;;;;2.97;;0.45;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM405049;MM405049;CC#CCC=C(C=O)C=O;DMQMOSKPBMISSV-UHFFFAOYSA-N;136.15;0.72;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4_Na";;;;;;;2.2;;0.34;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM405050;MM405050;CCN(C=O)CCC=CF;GJQCHVMAHMJBJS-UHFFFAOYSA-N;145.18;1.34;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_C4";;;;;;;1.37;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM405051;MM405051;CC#CCC=C(C#N)C=O;WTUYXPCXBHPOCP-UHFFFAOYSA-N;133.15;1.05;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4_Na";;;;;;;2.2;;0.34;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM405052;MM405052;C=NN(CC)CCC=CC;OWLZKOKYZJBBAS-UHFFFAOYSA-N;140.23;1.89;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_C2";;;;;;;2;;0.3;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM405053;MM405053;C=NN(CC)CCC=CF;RKMVYRWINVFVEI-UHFFFAOYSA-N;144.19;1.8;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_C4";;;;;;;1.37;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM405054;MM405054;CC#CCC=C(C#N)C#N;JXPNYIPTUGPLMM-UHFFFAOYSA-N;130.15;1.37;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_P2";;;;;;;0.54;;-1.09;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM405055;MM405055;CNN(C=N)CCC=CF;QEMITXFTVIELFY-UHFFFAOYSA-N;145.18;0.9;;;;;DOPC;MDCG;27;1;"MARTINI bead: P3_C5";;;;;;;-0.33;;-4.47;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM405056;MM405056;C#CC(C=C)=CCC#CC;ZXHJKRBOCKAVAJ-UHFFFAOYSA-N;130.19;2.15;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4_C4";;;;;;;3.53;;0.53;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM405057;MM405057;CC=CCCN(C=O)NC;MOWGXHTZUIHIEI-UHFFFAOYSA-N;142.2;0.55;;;;;DOPC;MDCG;27;0;"MARTINI bead: P3_C2";;;;;;;0.86;;-0.3;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM405058;MM405058;C#CC(C=O)=CCC#CC;RVFKQVXUBZLVAQ-UHFFFAOYSA-N;132.16;1.16;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4_Na";;;;;;;2.2;;0.34;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM405059;MM405059;CNN(C=N)CCC=NO;SHKQZAZBLYIZGZ-UHFFFAOYSA-N;144.18;-0.12;;;;;DOPC;MDCG;27;1;"MARTINI bead: P4_P1";;;;;;;-2.01;;-7.46;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM405060;MM405060;C#CC(C#N)=CCC#CC;MQZVFRNGQZGWQB-UHFFFAOYSA-N;129.16;1.48;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4_N0";;;;;;;2.5;;0.44;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM405061;MM405061;CNN(C=O)CCC=NN;GRHPEVIRXXGOHL-UHFFFAOYSA-N;144.18;-1.09;;;;;DOPC;MDCG;27;0;"MARTINI bead: P3_Nd";;;;;;;-1.1;;-3.93;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM405062;MM405062;C#CC(C#C)=CCC#CC;BOZUQJYGXJMUKI-UHFFFAOYSA-N;128.17;1.59;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4_C5";;;;;;;2.97;;0.45;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM405063;MM405063;CCC(O)CC1CC1C;IHVQCAXTPYTQEG-UHFFFAOYSA-N;128.22;1.8;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda_SC5";;;;;;;1.64;;0.05;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM405064;MM405064;CCC=CC=C(CC)CC;OVZSBWPRUBWGKI-UHFFFAOYSA-N;138.25;3.7;;;;;DOPC;MDCG;27;0;"MARTINI bead: C3_C1";;;;;;;4.61;;0.31;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM405065;MM405065;CON(C=O)CCC=NO;AWPVSXROLBVOCW-UHFFFAOYSA-N;146.15;-0.14;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda_P2";;;;;;;-0.24;;-3.31;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM405066;MM405066;CCC(=CC=CCN)CC;AVBPEUIAZKKYHQ-UHFFFAOYSA-N;139.24;2.25;;;;;DOPC;MDCG;27;1;"MARTINI bead: C1_P1";;;;;;;2.08;;-0.64;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM405067;MM405067;CCN(C=N)NCC=NO;UKCQEKDAEQBHBA-UHFFFAOYSA-N;144.18;-0.12;;;;;DOPC;MDCG;27;1;"MARTINI bead: P2_P1";;;;;;;-1.06;;-6.56;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM405068;MM405068;CCC(=CC=CCO)CC;JWQDIJNADZKMTH-UHFFFAOYSA-N;140.23;2.28;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1_Nda";;;;;;;2.91;;0.57;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM405069;MM405069;CCN(C=O)NCC=NO;MEOQEDWEEBBCOV-UHFFFAOYSA-N;145.16;-0.57;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_P1";;;;;;;-1.06;;-3.82;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM405070;MM405070;CCC(=CC=CCF)CC;RRVFFMYURNXFIP-UHFFFAOYSA-N;142.22;3.26;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1_Na";;;;;;;2.91;;0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM405071;MM405071;CC=CCON(C=N)CC;AOORHLPDMDVTQO-UHFFFAOYSA-N;142.2;1.42;;;;;DOPC;MDCG;27;1;"MARTINI bead: P2_C2";;;;;;;1.72;;-0.46;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM405072;MM405072;CCC=CC=C(CC)CN;NDVMERGACAKMGR-UHFFFAOYSA-N;139.24;2.25;;;;;DOPC;MDCG;27;1;"MARTINI bead: C3_Nd";;;;;;;2.57;;-0.96;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM405073;MM405073;C#CC(CC)CCC=CC;OXQSLJBOAWXMMX-UHFFFAOYSA-N;136.24;3;;;;;DOPC;MDCG;27;0;"MARTINI bead: C2_C2";;;;;;;4.78;;0.59;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM405074;MM405074;CCC(=CC=CCO)CN;CAHAOWLTGMYAHQ-UHFFFAOYSA-N;141.21;0.83;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_Nda";;;;;;;0.87;;-4.15;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM405075;MM405075;C#CC(CN)CCC=CC;RIQITHNFGDPHDL-UHFFFAOYSA-N;137.23;1.55;;;;;DOPC;MDCG;27;1;"MARTINI bead: C1_Nd";;;;;;;2.91;;-0.27;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM405076;MM405076;CCn1nnc(NC)c1C;VSNKRCRZPZFEHP-UHFFFAOYSA-N;140.19;0.65;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNa_SP1";;;;;;;0.04;;-2.54;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM405077;MM405077;CCC(=CC=CCN)CO;MESSHIRCZXLIMS-UHFFFAOYSA-N;141.21;0.83;;;;;DOPC;MDCG;27;1;"MARTINI bead: C5_P1";;;;;;;0.81;;-2.72;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM405078;MM405078;C#Cc1nc(N)n(N)n1;LUQONHYGZAQEIU-UHFFFAOYSA-N;123.12;-1.44;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP1_SP2";;;;;;;-1.06;;-3.82;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM405079;MM405079;CCC(=CC=CCO)CO;ZVTQQGQVJSXFOJ-UHFFFAOYSA-N;142.2;0.86;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_P1";;;;;;;0.81;;-0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM405080;MM405080;C#CC(CF)CCC=CC;XUXQPBQCAWIUCZ-UHFFFAOYSA-N;140.2;2.56;;;;;DOPC;MDCG;27;0;"MARTINI bead: C2_C5";;;;;;;3.6;;0.34;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM405081;MM405081;CCCC1CC1C(O)CC;AHJXKPSZVJNWJK-UHFFFAOYSA-N;142.24;2.19;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC2_Nda";;;;;;;2.83;;0.57;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM405082;MM405082;C#CC(CF)CCC=CF;GLWIFNKDFZZIPT-UHFFFAOYSA-N;144.16;2.47;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_C4";;;;;;;2.97;;0.45;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM405083;MM405083;CCC=CC=C(CC)CF;WXRZMMZDNJRKQB-UHFFFAOYSA-N;142.22;3.26;;;;;DOPC;MDCG;27;0;"MARTINI bead: C3_C3";;;;;;;4.27;;0.2;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM405084;MM405084;C#CC(CC)CCC=NN;CBZLNKZPGVRMAF-UHFFFAOYSA-N;138.21;1.37;;;;;DOPC;MDCG;27;0;"MARTINI bead: C2_Nd";;;;;;;2.83;;0.62;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM405085;MM405085;CCC(=CC=CCN)CF;UVAYUAOTQKCMIU-UHFFFAOYSA-N;143.21;1.81;;;;;DOPC;MDCG;27;1;"MARTINI bead: C3_P1";;;;;;;1.74;;-1.56;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM405086;MM405086;C#CC(CC)CCC=NO;JHWOTCDZNMYSDF-UHFFFAOYSA-N;139.2;1.89;;;;;DOPC;MDCG;27;0;"MARTINI bead: C2_P1";;;;;;;2;;0.29;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM405087;MM405087;CCC(=CC=CCO)CF;DHNBWPRFWWQXNE-UHFFFAOYSA-N;144.19;1.84;;;;;DOPC;MDCG;27;0;"MARTINI bead: C3_Nda";;;;;;;2.57;;0.44;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM405088;MM405088;C#CC(CF)CCC=NN;SSPOWHVBCJITJI-UHFFFAOYSA-N;142.18;0.93;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nd_Na";;;;;;;0.87;;-1.88;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM405089;MM405089;CCC(=CC=CCF)CF;GILOHPNKJLTBTA-UHFFFAOYSA-N;146.18;2.82;;;;;DOPC;MDCG;27;0;"MARTINI bead: C3_Na";;;;;;;2.57;;0.45;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM405090;MM405090;C#CC(CF)CCC=NO;MMTZFQTVDDXKQL-UHFFFAOYSA-N;143.16;1.45;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_C5";;;;;;;0.81;;-0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM405091;MM405091;CCC=CC=C(CN)CN;RWCZBNMIYKWNSK-UHFFFAOYSA-N;140.23;0.8;;;;;DOPC;MDCG;27;1;"MARTINI bead: C3_P5";;;;;;;0.59;;-4.19;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM405092;MM405092;C#CC(CCC=CC)NC;FPPWRUHSWFFITB-UHFFFAOYSA-N;137.23;1.56;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1_C2";;;;;;;2;;-0.68;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM405093;MM405093;CCC=CC=C(CN)CO;NRGOTNZNRZLATI-UHFFFAOYSA-N;141.21;0.83;;;;;DOPC;MDCG;27;1;"MARTINI bead: C3_P4";;;;;;;0.52;;-3.37;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM405094;MM405094;C#CC(CCC=CF)NC;DHHMFEKRWAEURW-UHFFFAOYSA-N;141.19;1.47;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1_C4";;;;;;;1.37;;-1.97;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM405095;MM405095;CCC=CC=C(CN)CF;YVHSMOATFBEXQH-UHFFFAOYSA-N;143.21;1.81;;;;;DOPC;MDCG;27;1;"MARTINI bead: C3_P1";;;;;;;1.74;;-1.49;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM405096;MM405096;C#CC(CCC=NN)NC;COOKNTQHBRMCCO-UHFFFAOYSA-N;139.2;-0.07;;;;;DOPC;MDCG;27;1;"MARTINI bead: P2_Nd";;;;;;;-0.24;;-5.18;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM405097;MM405097;CCC=CC=C(CO)CO;QFIXSKKHUOEDEI-UHFFFAOYSA-N;142.2;0.86;;;;;DOPC;MDCG;27;0;"MARTINI bead: C3_P2";;;;;;;1.46;;-0.15;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM405098;MM405098;C#CC(CCC=CC)OC;WZOOUSDTODORNU-UHFFFAOYSA-N;138.21;1.99;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_C1";;;;;;;2.91;;0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM405099;MM405099;OCC=CC=C(CO)CO;IXSCQAFZLUJWDD-UHFFFAOYSA-N;144.17;-0.55;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda_P2";;;;;;;-0.24;;-3.31;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM405100;MM405100;C#CC(CCC=NN)OC;SXBCHCOOHJYRSO-UHFFFAOYSA-N;140.19;0.36;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_Nd";;;;;;;0.87;;-1.88;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM405101;MM405101;OCC(=CC=CCF)CO;UEDZQCKZHDUQBR-UHFFFAOYSA-N;146.16;0.42;;;;;DOPC;MDCG;27;0;"MARTINI bead: P3_C4";;;;;;;0.23;;-1.03;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM405102;MM405102;C#CC(CCC=NO)OC;BYNUWXNGZPBKDJ-UHFFFAOYSA-N;141.17;0.87;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_P1";;;;;;;0.81;;-0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM405103;MM405103;CCC=CC=C(CO)CF;RFTNCWQHHCUNLB-UHFFFAOYSA-N;144.19;1.84;;;;;DOPC;MDCG;27;0;"MARTINI bead: C3_Nda";;;;;;;2.57;;0.44;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM405104;MM405104;C#CC(CC)CN=CNC;NPCFUZBHBYKZMZ-UHFFFAOYSA-N;138.21;0.89;;;;;DOPC;MDCG;27;1;"MARTINI bead: C3_P1";;;;;;;1.74;;-2.83;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM405105;MM405105;NCC=CC=C(CF)CF;ZHAFMEDTDWHWKK-UHFFFAOYSA-N;147.17;1.37;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1_C5";;;;;;;0.81;;-2.72;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM405106;MM405106;C#CC(CC)CN=CNN;JUWWHPBLKXXFCR-UHFFFAOYSA-N;139.2;0.14;;;;;DOPC;MDCG;27;1;"MARTINI bead: C3_P3";;;;;;;0.6;;-2.54;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM405107;MM405107;OCC=CC=C(CF)CF;RZSWLSMKECQZRJ-UHFFFAOYSA-N;148.15;1.4;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda_C5";;;;;;;1.64;;0.05;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM405108;MM405108;C#CC(CN)CN=CNO;XRZVIKUOEPJPHN-UHFFFAOYSA-N;141.17;-0.8;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_P4";;;;;;;-1.19;;-6.68;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM405109;MM405109;CNN=COCOCCF;ZNNQXPQEOVMUDD-UHFFFAOYSA-N;150.15;0.11;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_Na";;;;;;;-0.24;;-3.24;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM405110;MM405110;CC(O)C(C)C1CC1C;PVSCXXPEXUXQCH-UHFFFAOYSA-N;128.22;1.66;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda_SC5";;;;;;;1.64;;0.05;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM405111;MM405111;COC=CC=C(CO)CF;QBWGMZRFONVEDW-UHFFFAOYSA-N;146.16;1.03;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_Nda";;;;;;;0.87;;-1.99;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM405112;MM405112;C#CC(CNC=NC)NC;HQZXOVCTTIIIKW-UHFFFAOYSA-N;139.2;-0.54;;;;;DOPC;MDCG;27;1;"MARTINI bead: P2_P1";;;;;;;-1.06;;-7.01;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM405113;MM405113;CCC(=CC=NNC)CC;VINJTEUDHBRJJP-UHFFFAOYSA-N;140.23;1.94;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1_P2";;;;;;;1.8;;0.41;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM405114;MM405114;C#CC(CN=CNN)NC;SEVXVKZVCMVQEI-UHFFFAOYSA-N;140.19;-1.3;;;;;DOPC;MDCG;27;1;"MARTINI bead: P2_P3";;;;;;;-2.2;;-6.68;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM405115;MM405115;C#CCOCOC=NNC;NBCCDXMDYVKJNM-UHFFFAOYSA-N;142.16;-0.23;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_Na";;;;;;;-0.24;;-3.24;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM405116;MM405116;C#CC(CC)COC=CC;IWZORIMYAICAPG-UHFFFAOYSA-N;138.21;2.2;;;;;DOPC;MDCG;27;0;"MARTINI bead: C3_C5";;;;;;;3.34;;0.48;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM405117;MM405117;CCC(=CC=NOC)CC;XBXAUFUSGWFSQX-UHFFFAOYSA-N;141.21;2.37;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1_P1";;;;;;;2.08;;0.48;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM405118;MM405118;C#CC(CN)COC=CC;WTWYQXTVCDQJKN-UHFFFAOYSA-N;139.2;0.74;;;;;DOPC;MDCG;27;1;"MARTINI bead: Na_Nd";;;;;;;0.87;;-4.29;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM405119;MM405119;CC=COCOC=NNC;FKKJEKIKUMIWCW-UHFFFAOYSA-N;144.17;0.67;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_C5";;;;;;;0.54;;-1.09;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM405120;MM405120;C#CC(CF)COC=CC;HIXCFZFVLITRMU-UHFFFAOYSA-N;142.17;1.76;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_Na";;;;;;;1.64;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM405121;MM405121;CCCC=COC=NNC;XXPYKDQYJGAZKA-UHFFFAOYSA-N;142.2;1.48;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1_P2";;;;;;;1.8;;0.4;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM405122;MM405122;CCC(C=CNOC)=NC;KORVOVVZHZEVAL-UHFFFAOYSA-N;142.2;1.13;;;;;DOPC;MDCG;27;1;"MARTINI bead: C5_P1";;;;;;;0.81;;-4.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM405123;MM405123;C#CC(CC)COC=NO;LCKHFSGPXBEODK-UHFFFAOYSA-N;141.17;1.08;;;;;DOPC;MDCG;27;0;"MARTINI bead: C3_P2";;;;;;;1.46;;-0.15;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM405124;MM405124;CNC(=CC=NOC)CN;RBOFMNDSURDZKM-UHFFFAOYSA-N;143.19;-0.32;;;;;DOPC;MDCG;27;1;"MARTINI bead: P2_Nda";;;;;;;-0.24;;-4.71;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM405125;MM405125;C#CC(CO)COC=NO;RXZSAJRJPNDMBN-UHFFFAOYSA-N;143.14;-0.34;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda_P2";;;;;;;-0.24;;-3.31;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM405126;MM405126;CCC=CC=C(CC)OC;YNALCISSOWNVPC-UHFFFAOYSA-N;140.23;2.89;;;;;DOPC;MDCG;27;0;"MARTINI bead: C3_C4";;;;;;;3.9;;0.47;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM405127;MM405127;C#CC(CC)CON=CC;ZUASDOQCGKDCBQ-UHFFFAOYSA-N;139.2;1.67;;;;;DOPC;MDCG;27;0;"MARTINI bead: C3_Na";;;;;;;2.57;;0.45;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM405128;MM405128;CCC(=CC=CCF)OC;RTDAWOFBHVCTAG-UHFFFAOYSA-N;144.19;2.45;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4_Na";;;;;;;2.2;;0.34;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM405129;MM405129;CNn1oc(N)nc1=O;YQQXDLPDOSDYOY-UHFFFAOYSA-N;130.11;-1.41;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP2_SP1";;;;;;;-1.06;;-3.82;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM405130;MM405130;CCC=CC=C(CN)OC;IQDJYHOTSHYIDO-UHFFFAOYSA-N;141.21;1.44;;;;;DOPC;MDCG;27;1;"MARTINI bead: C3_P1";;;;;;;1.74;;-0.79;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM405131;MM405131;C#CC(COC=CC)NC;JYZLZNAXFOZHQT-UHFFFAOYSA-N;139.2;0.76;;;;;DOPC;MDCG;27;1;"MARTINI bead: P2_C5";;;;;;;0.54;;-2.25;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM405132;MM405132;CCC=CC=C(CO)OC;QOCQSKDEVQVHLM-UHFFFAOYSA-N;142.2;1.48;;;;;DOPC;MDCG;27;0;"MARTINI bead: C3_Nda";;;;;;;2.57;;0.44;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM405133;MM405133;C#CC(COC=CC)OC;NMXWAOIYIYLSNK-UHFFFAOYSA-N;140.18;1.18;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_C5";;;;;;;1.64;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM405134;MM405134;COC(=CC=CCF)CO;RRYOLXJMUWXPDK-UHFFFAOYSA-N;146.16;1.03;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda_Na";;;;;;;0.87;;-1.99;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM405135;MM405135;C#CC(COC=CF)OC;WVQBJECYWJYLSB-UHFFFAOYSA-N;144.15;1.09;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_Na";;;;;;;0.87;;-2.22;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM405136;MM405136;COC(=CC=CCN)CF;NUXVHEJRVNFSKD-UHFFFAOYSA-N;145.18;1;;;;;DOPC;MDCG;27;1;"MARTINI bead: C5_P1";;;;;;;0.81;;-2.72;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM405137;MM405137;C=CC1CC=C(C)C1O;LYKIQJQFKCNOQE-UHFFFAOYSA-N;124.18;1.5;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNda_SC3";;;;;;;2.57;;0.44;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM405138;MM405138;COC(=CC=CCO)CF;GDLXRXZDZFGPRP-UHFFFAOYSA-N;146.16;1.03;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_Nda";;;;;;;1.64;;0.05;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM405139;MM405139;C#CC(CON=CC)OC;MZISDYYUMMROJL-UHFFFAOYSA-N;141.17;0.66;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_Na";;;;;;;0.87;;-2.22;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM405140;MM405140;CCC(=CC=COC)OC;AQSNFPXAGMPATR-UHFFFAOYSA-N;142.2;2.09;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4_Na";;;;;;;2.2;;0.34;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM405141;MM405141;C#CC(CC)NCC=CC;QNXRLTCPGFLQPL-UHFFFAOYSA-N;137.23;1.56;;;;;DOPC;MDCG;27;1;"MARTINI bead: C3_Nd";;;;;;;2.57;;-0.18;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM405142;MM405142;COC=CC=C(CO)OC;BLZOLCNYCDHBQO-UHFFFAOYSA-N;144.17;0.67;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_Nda";;;;;;;0.87;;-1.99;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM405143;MM405143;C#CC(CN)NCC=CF;WWRALEMFCWSTIA-UHFFFAOYSA-N;142.18;0.02;;;;;DOPC;MDCG;27;1;"MARTINI bead: P3_C5";;;;;;;-0.33;;-3.64;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM405144;MM405144;COC=CC=C(CF)OC;AXYBREDJDLQZEB-UHFFFAOYSA-N;146.16;1.65;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_C5";;;;;;;1.64;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM405145;MM405145;CNc1nnn(N)c1N;OGPHVGCQIKVELT-UHFFFAOYSA-N;128.14;-1.38;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP1_SP3";;;;;;;-1.93;;-4.72;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM405146;MM405146;CCC(=CC=NNC)OC;WAELWXWVRJQXIM-UHFFFAOYSA-N;142.2;1.13;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4_P2";;;;;;;1.09;;-0.38;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM405147;MM405147;C#CC(CO)NNC=NC;FNHHBCPBBJHNCV-UHFFFAOYSA-N;141.17;-1.27;;;;;DOPC;MDCG;27;1;"MARTINI bead: P3_Nda";;;;;;;-1.1;;-6.14;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM405148;MM405148;CNN=CC=C(CF)OC;GLOFMKVLRDYVLQ-UHFFFAOYSA-N;146.17;0.69;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_C5";;;;;;;0.54;;-1.09;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM405149;MM405149;NN=c1ncc(N)no1;JYUHCCZYJCXPJF-UHFFFAOYSA-N;127.11;-1.57;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP3_SP3";;;;;;;-3.07;;-6.15;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM405150;MM405150;CCC(=CC=NOC)OC;NPPGSSJSYVDSMR-UHFFFAOYSA-N;143.19;1.56;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4_P1";;;;;;;1.37;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM405151;MM405151;C#CC(CF)NNC=NC;JVNKQAYZXVVCKK-UHFFFAOYSA-N;143.17;-0.29;;;;;DOPC;MDCG;27;1;"MARTINI bead: P3_Na";;;;;;;-1.1;;-6.36;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM405152;MM405152;CCN=CN=C(NC)NC;VKRAPQMARPILFO-UHFFFAOYSA-N;142.21;-0.17;;;;;DOPC;MDCG;27;1;"MARTINI bead: C5_P2";;;;;;;0.54;;-4.95;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM405153;MM405153;C#CC(CC)OCC=CC;YMHNGIOHHAWYHW-UHFFFAOYSA-N;138.21;1.99;;;;;DOPC;MDCG;27;0;"MARTINI bead: C3_Na";;;;;;;2.57;;0.45;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM405154;MM405154;CCN=CN=C(NN)NN;DUVKVLLIWJFRNH-UHFFFAOYSA-N;144.18;-1.68;;;;;DOPC;MDCG;27;1;"MARTINI bead: C5_P4";;;;;;;-0.41;;-5.14;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM405155;MM405155;C#CC(CC)OCC=CF;OHTQYLAWBLNXNE-UHFFFAOYSA-N;142.17;1.9;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_C4";;;;;;;2.2;;0.34;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM405156;MM405156;CCN=CN=C(NN)NO;PYSOEWSARVXQOD-UHFFFAOYSA-N;145.17;-1.17;;;;;DOPC;MDCG;27;1;"MARTINI bead: C5_P4";;;;;;;-0.41;;-3.78;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM405157;MM405157;C#CC(CN)OCC=CC;XMKBTJRVIMRCQI-UHFFFAOYSA-N;139.2;0.54;;;;;DOPC;MDCG;27;1;"MARTINI bead: Na_Nd";;;;;;;0.87;;-3.57;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM405158;MM405158;CNN=CN=C(NC)NC;MCZHRPCEGDAMBC-UHFFFAOYSA-N;143.19;-1.06;;;;;DOPC;MDCG;27;1;"MARTINI bead: P2_P2";;;;;;;-1.34;;-7.78;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM405159;MM405159;C#CC(CO)OCC=CC;CLBFIESIEUABJI-UHFFFAOYSA-N;140.18;0.57;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_Nda";;;;;;;0.87;;-1.99;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM405160;MM405160;CNN=COC=CCCF;QWEXCGZBWKRILQ-UHFFFAOYSA-N;146.17;1.04;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_C5";;;;;;;0.54;;-1.09;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM405161;MM405161;C#CC(OC)OCC=CC;WOLHYCUHXKLNCA-UHFFFAOYSA-N;140.18;1.18;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_Na";;;;;;;0.87;;-2.22;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM405162;MM405162;C#CCC=COC=NNC;MZJHRYCRLOANFH-UHFFFAOYSA-N;138.17;0.7;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_C5";;;;;;;0.54;;-1.09;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM405163;MM405163;C#CC(OC)OCC=CF;OJZHLIJEVRPKFF-UHFFFAOYSA-N;144.15;1.09;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_C4";;;;;;;1.09;;-0.38;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM405164;MM405164;CC=CC=COC=NNC;LUUOZDAXGWXIIC-UHFFFAOYSA-N;140.19;1.26;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_C1";;;;;;;1.8;;0.4;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM405165;MM405165;CC(C#N)C1NC1C=O;AIQBJEGMBKFFMM-UHFFFAOYSA-N;124.14;-0.31;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_SP2";;;;;;;-1.06;;-3.82;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM405166;MM405166;CCC=NN=C(CC)CC;AINONYOQNYMGPV-UHFFFAOYSA-N;140.23;2.64;;;;;DOPC;MDCG;27;0;"MARTINI bead: N0_C4";;;;;;;2.5;;0.44;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM405167;MM405167;COC=NNCC1CO1;SRCSUCIGDBOOEI-UHFFFAOYSA-N;130.15;-0.44;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_SNa";;;;;;;0.04;;-2.54;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM405168;MM405168;NCC=NN=C(CN)CN;VFOVCFHJZRYCMJ-UHFFFAOYSA-N;143.19;-1.71;;;;;DOPC;MDCG;27;1;"MARTINI bead: P2_P2";;;;;;;-1.34;;-5.33;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM405169;MM405169;C=CC1=CC2NC2C1=O;FGOIUBBWTPFCND-UHFFFAOYSA-N;121.14;0.02;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNa_SP1";;;;;;;0.04;;-2.54;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM405170;MM405170;CCC=NN=C(CO)CO;GGJIISZTDAPHGF-UHFFFAOYSA-N;144.17;-0.19;;;;;DOPC;MDCG;27;0;"MARTINI bead: C3_P5";;;;;;;0.59;;-2.15;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM405171;MM405171;OCC(CF)=NN=CCF;VCLBTQCAXSMHEX-UHFFFAOYSA-N;150.13;0.34;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_C5";;;;;;;0.54;;-1.09;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM405172;MM405172;C=CC(=C)C(O)C1CC1;QJOVAFJWKLVQMY-UHFFFAOYSA-N;124.18;1.5;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC5_Nda";;;;;;;1.64;;0.05;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM405173;MM405173;CCC(CC)=NN=COC;VRXQRUNKMGYYCN-UHFFFAOYSA-N;142.2;1.84;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4_P1";;;;;;;1.37;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM405174;MM405174;C=CC(C=C)CCC=CC;FHTQRADTQKYOMX-UHFFFAOYSA-N;136.24;3.33;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1_C2";;;;;;;4.87;;0.53;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM405175;MM405175;COC(CN)=NN=CCN;YYXKVXNEUXPEHG-UHFFFAOYSA-N;144.18;-1.07;;;;;DOPC;MDCG;27;1;"MARTINI bead: P2_P1";;;;;;;-1.06;;-4.96;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM405176;MM405176;C=CC(C=C)CCC=CF;JSAXSTDUUSYKFD-UHFFFAOYSA-N;140.2;3.24;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4_C1";;;;;;;4.24;;0.42;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM405177;MM405177;CCC=NN=C(CO)OC;IJQHGKZJXRSORS-UHFFFAOYSA-N;144.17;0.42;;;;;DOPC;MDCG;27;0;"MARTINI bead: C3_P2";;;;;;;1.46;;-0.15;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM405178;MM405178;C=CC(C=O)CCC=CF;BXRBCOACKJUVAX-UHFFFAOYSA-N;142.17;2.25;;;;;DOPC;MDCG;27;0;"MARTINI bead: C3_Na";;;;;;;2.57;;0.45;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM405179;MM405179;COC(CO)=NN=CCF;JINGIRAQVJZUJT-UHFFFAOYSA-N;148.14;-0.02;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_C5";;;;;;;0.54;;-1.09;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM405180;MM405180;CC=CCCC(C#N)C#N;GEUYBDWSMSHCEA-UHFFFAOYSA-N;134.18;2.01;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1_P2";;;;;;;1.8;;0.4;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM405181;MM405181;CCC=NN=C(CF)OC;FXKZMSJIUBRSAO-UHFFFAOYSA-N;146.17;1.4;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4_Na";;;;;;;2.2;;0.34;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM405182;MM405182;N#CC(C#N)CCC=CF;UZKWITBWIYYTRC-UHFFFAOYSA-N;138.15;1.91;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4_P1";;;;;;;1.37;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM405183;MM405183;CCC(=NN=COC)OC;BEWJDANGKPCMRT-UHFFFAOYSA-N;144.17;1.03;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_Na";;;;;;;1.64;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM405184;MM405184;C=CC(C=C)CCC=NN;JUMNTQDSHYZBTR-UHFFFAOYSA-N;138.21;1.7;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nd_C1";;;;;;;2.91;;0.64;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM405185;MM405185;COC=NN=C(CF)OC;DYOIQHUGXSROLY-UHFFFAOYSA-N;148.14;0.59;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_Na";;;;;;;0.87;;-2.22;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM405186;MM405186;C=CC(C=C)CCC=NO;JCPALWXIAJDAPX-UHFFFAOYSA-N;139.2;2.21;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_C1";;;;;;;2.08;;0.48;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM405187;MM405187;CNC(=NN=CCF)NC;BKAUNGPVOPWGTG-UHFFFAOYSA-N;146.17;-0.26;;;;;DOPC;MDCG;27;1;"MARTINI bead: P2_C5";;;;;;;0.54;;-2.58;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM405188;MM405188;C=CC(C=O)CCC=NO;INJKJQONMJDXJH-UHFFFAOYSA-N;141.17;1.23;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda_Na";;;;;;;0.87;;-1.99;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM405189;MM405189;CNN=COC=CC=CF;VRRFMLGOMXAREH-UHFFFAOYSA-N;144.15;1.16;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_C4";;;;;;;1.09;;-0.38;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM405190;MM405190;C=CC(C#N)CCC=NO;PVEBBLUUZHNMRX-UHFFFAOYSA-N;138.17;1.55;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_C5";;;;;;;0.81;;-0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM405191;MM405191;CC#CC=COC=NNC;XYPHBTJSLZKXPH-UHFFFAOYSA-N;138.17;0.7;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_C4";;;;;;;1.09;;-0.38;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM405192;MM405192;C=CC(C=C)CNC=NC;BCSWHBSCTXFELZ-UHFFFAOYSA-N;138.21;1.22;;;;;DOPC;MDCG;27;1;"MARTINI bead: P2_C1";;;;;;;1.8;;-2.46;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM405193;MM405193;CCC12CCC(C=O)N1C2;LZSCCSLBWVFVDA-UHFFFAOYSA-N;139.2;0.81;;;;;DOPC;MDCG;27;0;"MARTINI bead: SN0_SP1";;;;;;;0.34;;-1.53;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM405194;MM405194;C=CC(C=C)CNC=NN;NUKCBYUTYCMRKI-UHFFFAOYSA-N;139.2;0.47;;;;;DOPC;MDCG;27;1;"MARTINI bead: P3_C1";;;;;;;0.94;;-1.11;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM405195;MM405195;CC(=O)CN1CC1C;OHUFEZFFDGOJBH-UHFFFAOYSA-N;113.16;0.28;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNd_Na";;;;;;;0.87;;-1.88;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM405196;MM405196;C=CC(C=O)CNC=NC;NYSIHWHBSRWPHZ-UHFFFAOYSA-N;140.19;0.24;;;;;DOPC;MDCG;27;1;"MARTINI bead: P2_Na";;;;;;;-0.24;;-6.73;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM405197;MM405197;CCC=NN=C(OC)OC;MGKYYXPSLPMSLJ-UHFFFAOYSA-N;144.17;1.03;;;;;DOPC;MDCG;27;0;"MARTINI bead: C3_P1";;;;;;;1.74;;0.29;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM405198;MM405198;C=CC(C#N)CNC=NC;VWHGLORCKCYKPU-UHFFFAOYSA-N;137.19;0.56;;;;;DOPC;MDCG;27;1;"MARTINI bead: P2_C5";;;;;;;0.54;;-4.46;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM405199;MM405199;COC(=NN=CCF)OC;YPSSZWVCOORCMP-UHFFFAOYSA-N;148.14;0.59;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_C5";;;;;;;0.81;;-0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM405200;MM405200;C=CC(O)(C=C)CC(=C)C;GYUWQGHHFYCPPQ-UHFFFAOYSA-N;138.21;2.06;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4_Nda";;;;;;;2.2;;0.49;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM405201;MM405201;C=CC=CC=C(CC)CC;PSVGXRUMUXXVEE-UHFFFAOYSA-N;136.24;3.48;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1_C4";;;;;;;4.24;;0.42;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM405202;MM405202;O=CC(C=O)CNC=NO;NAXMOGNVPXBYDR-UHFFFAOYSA-N;144.13;-0.99;;;;;DOPC;MDCG;27;0;"MARTINI bead: P3_Na";;;;;;;-1.1;;-4.2;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM405203;MM405203;CCC(=CC=CC=O)CC;VGEPWNXWGLTGPW-UHFFFAOYSA-N;138.21;2.49;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1_Na";;;;;;;2.91;;0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM405204;MM405204;C=NNCC(=O)C(C)(C)C;OGPQMVBLZTYKGU-UHFFFAOYSA-N;142.2;0.81;;;;;DOPC;MDCG;27;0;"MARTINI bead: C3_P1";;;;;;;1.74;;0.29;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM405205;MM405205;CCC(=CC=CC#N)CC;KFOUAYCSKNSYAA-UHFFFAOYSA-N;135.21;2.81;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1_N0";;;;;;;3.21;;0.46;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM405206;MM405206;CC(C)CC1C(C)C1(C)O;LFUJZNRINYFLDU-UHFFFAOYSA-N;142.24;2.05;;;;;DOPC;MDCG;27;0;"MARTINI bead: C3_SNda";;;;;;;2.57;;0.44;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM405207;MM405207;C=CC=CC=C(CC)CN;WUXQIBNBJPTFPJ-UHFFFAOYSA-N;137.23;2.02;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_C4";;;;;;;2.2;;-1.66;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM405208;MM405208;C=CCCCC(C)(O)C=C;OYWGEAHYONHFDH-UHFFFAOYSA-N;140.23;2.28;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_C3";;;;;;;3.34;;0.48;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM405209;MM405209;Cn1nc(N)oc1=N;MROWQEOTIHDDAJ-UHFFFAOYSA-N;114.11;-0.93;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP2_SP3";;;;;;;-2.2;;-5.19;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM405210;MM405210;C=CC(C=C)COC=CC;CIULCFXIWPQXQM-UHFFFAOYSA-N;138.21;2.52;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_C2";;;;;;;3.6;;0.34;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM405211;MM405211;C=C(C)C(=C)C(C)(C)O;MKLYBPLHWPUDSB-UHFFFAOYSA-N;126.2;1.89;;;;;DOPC;MDCG;27;0;"MARTINI bead: C3_Nda";;;;;;;2.57;;0.44;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM405212;MM405212;C=CC(C=C)COC=CF;QEMUMHWLLNSEQO-UHFFFAOYSA-N;142.17;2.43;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_C1";;;;;;;2.91;;0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM405213;MM405213;C=C(C)C(C)(O)C(=C)C;IQVQYZKIJNFUAO-UHFFFAOYSA-N;126.2;1.89;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4_N0";;;;;;;2.5;;0.44;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM405214;MM405214;C=CC(C=O)COC=CC;NNZZPDPEZUOYHP-UHFFFAOYSA-N;140.18;1.54;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_Na";;;;;;;1.64;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM405215;MM405215;C=CC=CC=C(CC)CF;WKBAGIARUSQWBL-UHFFFAOYSA-N;140.2;3.03;;;;;DOPC;MDCG;27;0;"MARTINI bead: C3_C4";;;;;;;3.9;;0.47;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM405216;MM405216;C=CC(C#N)COC=CC;OQOSFJKDVMDSHX-UHFFFAOYSA-N;137.18;1.86;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_N0";;;;;;;1.94;;0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM405217;MM405217;CCC(=CC=CC=O)CF;QRDNDNGWGSSDJP-UHFFFAOYSA-N;142.17;2.05;;;;;DOPC;MDCG;27;0;"MARTINI bead: C3_Na";;;;;;;2.57;;0.45;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM405218;MM405218;C=CC(C=O)COC=CF;RVHFQMGSCGGRBU-UHFFFAOYSA-N;144.15;1.44;;;;;DOPC;MDCG;27;0;"MARTINI bead: N0_Na";;;;;;;1.17;;-1.18;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM405219;MM405219;CCC(=CC=CC#N)CF;CSVBQYYTCMBMBT-UHFFFAOYSA-N;139.17;2.37;;;;;DOPC;MDCG;27;0;"MARTINI bead: C3_N0";;;;;;;2.87;;0.37;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM405220;MM405220;C=CC(C#N)COC=CF;VVPKTGBHICOSSK-UHFFFAOYSA-N;141.15;1.77;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_C5";;;;;;;1.64;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM405221;MM405221;C=CC=CC=C(CN)CN;SOBSKCHRPFNYQA-UHFFFAOYSA-N;138.21;0.57;;;;;DOPC;MDCG;27;1;"MARTINI bead: P5_C4";;;;;;;0.22;;-4.69;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM405222;MM405222;CC=COCC(C#N)C=O;DRSXAXHJNGDAON-UHFFFAOYSA-N;139.15;0.88;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_Na";;;;;;;0.87;;-2.22;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM405223;MM405223;C=CC=CC=C(CN)CF;MNMTYNWQOSVSMB-UHFFFAOYSA-N;141.19;1.58;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1_C4";;;;;;;1.37;;-2.1;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM405224;MM405224;CC=COCC(C#N)C#N;PAIFAODOSXYSKX-UHFFFAOYSA-N;136.15;1.2;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_P2";;;;;;;0.54;;-1.09;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM405225;MM405225;C=CC=CC=C(CO)CO;LPOIRYZKUACVSN-UHFFFAOYSA-N;140.18;0.64;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_C4";;;;;;;1.09;;-0.38;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM405226;MM405226;N#CC(C#N)COC=CF;UOBWJTGQABNORO-UHFFFAOYSA-N;140.12;1.11;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_P2";;;;;;;0.54;;-1.09;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM405227;MM405227;O=CC=CC=C(CO)CO;SBANOQRIWFZTCK-UHFFFAOYSA-N;142.15;-0.35;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_Na";;;;;;;-0.24;;-3.24;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM405228;MM405228;C=CCC=CC(C)(O)CC;GOWCALBPKDXVAC-UHFFFAOYSA-N;140.23;2.28;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_C3";;;;;;;3.34;;0.48;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM405229;MM405229;C=CC=CC=C(CO)CF;ZSMMNQWMCBUDPB-UHFFFAOYSA-N;142.17;1.62;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda_C4";;;;;;;2.2;;0.49;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM405230;MM405230;C=CC(C=C)COC=NO;XATNOTCZNPSXSF-UHFFFAOYSA-N;141.17;1.41;;;;;DOPC;MDCG;27;0;"MARTINI bead: P3_C1";;;;;;;0.94;;0.03;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM405231;MM405231;O=CC=CC=C(CO)CF;XESNBCTZVFOFAY-UHFFFAOYSA-N;144.15;0.63;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda_Na";;;;;;;0.87;;-1.99;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM405232;MM405232;O=CC(C=O)COC=NO;QZGAULOSFYJGHW-UHFFFAOYSA-N;145.11;-0.57;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_Na";;;;;;;-0.24;;-3.24;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM405233;MM405233;C=CC=CC=C(CF)CF;VXIIYINPZBLGOH-UHFFFAOYSA-N;144.16;2.59;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_C4";;;;;;;2.97;;0.45;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM405234;MM405234;N#CC(C=O)COC=NO;NWRVLKLFMNDORB-UHFFFAOYSA-N;142.11;-0.24;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_Na";;;;;;;-0.24;;-3.24;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM405235;MM405235;C=NN=CC=C(CC)CC;PTXKFCBEXRGUEM-UHFFFAOYSA-N;138.21;2.42;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1_N0";;;;;;;3.21;;0.46;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM405236;MM405236;C=CC(C=C)CON=CC;JXADLSYHAAPMJL-UHFFFAOYSA-N;139.2;2;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_C2";;;;;;;2.83;;0.35;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM405237;MM405237;C=NN=CC=C(CC)CN;YINYUZREKZWJDH-UHFFFAOYSA-N;139.2;0.97;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_N0";;;;;;;1.17;;-3.28;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM405238;MM405238;C=C(F)C(=O)CN(C)C=O;NLUROIXCQNSPKS-UHFFFAOYSA-N;145.13;0.13;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_Na";;;;;;;-0.24;;-3.24;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM405239;MM405239;C=NN=CC=C(CC)CO;UVTPXMSFSWEGMU-UHFFFAOYSA-N;140.19;1;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_N0";;;;;;;1.94;;0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM405240;MM405240;C=CC(C#N)CON=CC;HLCKAERBFONMQL-UHFFFAOYSA-N;138.17;1.33;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_N0";;;;;;;1.17;;-1.18;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM405241;MM405241;C=NN=CC=C(CC)CF;NWRMGTBKYSWLJW-UHFFFAOYSA-N;142.18;1.98;;;;;DOPC;MDCG;27;0;"MARTINI bead: C3_N0";;;;;;;2.87;;0.37;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM405242;MM405242;C=CC(C=C)NCC=CC;CHXUXRBVCOMPSC-UHFFFAOYSA-N;137.23;1.89;;;;;DOPC;MDCG;27;1;"MARTINI bead: C2_Nd";;;;;;;2.83;;0.51;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM405243;MM405243;C=NN=CC=C(CO)CF;XEYXYDBIAFGHCN-UHFFFAOYSA-N;144.15;0.56;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda_N0";;;;;;;1.17;;-1.13;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM405244;MM405244;C=CC(C#N)NCC=CC;PZRHOPRIIZSZQG-UHFFFAOYSA-N;136.2;1.23;;;;;DOPC;MDCG;27;0;"MARTINI bead: C2_P1";;;;;;;2;;0.3;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM405245;MM405245;C=NNC=CC(CO)=NC;ICQDMJMYIWSGCW-UHFFFAOYSA-N;141.17;-0.23;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nda_P2";;;;;;;-0.24;;-5.89;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM405246;MM405246;C=CC(C#N)NCC=CF;BAYHOYASANRWOW-UHFFFAOYSA-N;140.16;1.14;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_N0";;;;;;;0.34;;-1.53;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM405247;MM405247;C=NNC=CC(CF)=NC;SBDZEJNVOZILOE-UHFFFAOYSA-N;143.17;0.75;;;;;DOPC;MDCG;27;1;"MARTINI bead: Na_Nd";;;;;;;0.87;;-4;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM405248;MM405248;C=CC(C#N)NCC=NO;CRVHGEGFDZIYQG-UHFFFAOYSA-N;139.16;0.11;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_P1";;;;;;;-0.79;;-3.13;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM405249;MM405249;C=CC=CC=C(CN)OC;HIJURQFKYWBTIY-UHFFFAOYSA-N;139.2;1.22;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1_C4";;;;;;;1.37;;-1.38;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM405250;MM405250;C=CC(C=C)NNC=NC;WMUGVDDULZIXFH-UHFFFAOYSA-N;139.2;0.48;;;;;DOPC;MDCG;27;1;"MARTINI bead: P2_Nd";;;;;;;-0.24;;-5.4;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM405251;MM405251;C=CC=CC=C(CO)OC;QXJBZFMVMWFEQQ-UHFFFAOYSA-N;140.18;1.25;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda_C4";;;;;;;2.2;;0.49;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM405252;MM405252;C=CC(C=O)NNC=NC;JUQIQKAILUBRFH-UHFFFAOYSA-N;141.17;-0.51;;;;;DOPC;MDCG;27;1;"MARTINI bead: P3_Na";;;;;;;-1.1;;-6.38;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM405253;MM405253;C=CC=CC=C(CF)OC;RCDLSBVHXVXAIW-UHFFFAOYSA-N;142.17;2.23;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_C4";;;;;;;2.97;;0.45;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM405254;MM405254;C=CC(C#N)NNC=NC;RQURDWYEXGRKLL-UHFFFAOYSA-N;138.17;-0.18;;;;;DOPC;MDCG;27;1;"MARTINI bead: P3_N0";;;;;;;-0.8;;-5.12;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM405255;MM405255;C=NN=CC=C(CC)OC;HQDBYXQWYYSMJE-UHFFFAOYSA-N;140.19;1.61;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4_N0";;;;;;;2.5;;0.44;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM405256;MM405256;O=CC(C=O)NNC=NO;VCEZZWWYZNECHI-UHFFFAOYSA-N;145.12;-1.74;;;;;DOPC;MDCG;27;0;"MARTINI bead: P4_Na";;;;;;;-1.19;;-4.76;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM405257;MM405257;C=NN=CC=C(CO)OC;QCXCKBKWXSHHNL-UHFFFAOYSA-N;142.16;0.2;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda_N0";;;;;;;1.17;;-1.13;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM405258;MM405258;C=CC(C=C)OCC=CC;AJXPKGIDRSNFNT-UHFFFAOYSA-N;138.21;2.32;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_C2";;;;;;;2.83;;0.35;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM405259;MM405259;CNC(=NC=CC=O)NC;DZDLDBLFRGQRKH-UHFFFAOYSA-N;141.17;-0.51;;;;;DOPC;MDCG;27;1;"MARTINI bead: P2_Na";;;;;;;-0.24;;-7.48;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM405260;MM405260;C=CC(C=O)OCC=CC;QENOZBQMQZDZCL-UHFFFAOYSA-N;140.18;1.33;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_Na";;;;;;;0.87;;-2.22;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM405261;MM405261;CNC(=NC=CC=O)NO;NCJXTLSGGVAFBP-UHFFFAOYSA-N;143.15;-0.75;;;;;DOPC;MDCG;27;1;"MARTINI bead: P3_Na";;;;;;;-1.1;;-6.4;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM405262;MM405262;C=CC(C#N)OCC=CC;LQYRHMVDJRCCSZ-UHFFFAOYSA-N;137.18;1.66;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_N0";;;;;;;1.17;;-1.18;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM405263;MM405263;CNC(=NC=NC=N)NC;WTRINTCTAHLQSL-UHFFFAOYSA-N;141.18;-0.58;;;;;DOPC;MDCG;27;1;"MARTINI bead: P2_P2";;;;;;;-1.34;;-7.65;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM405264;MM405264;CC=CCOC(C=O)C=O;NVAYINOQZFPRQI-UHFFFAOYSA-N;142.15;0.35;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_Na";;;;;;;0.87;;-2.22;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM405265;MM405265;CNC(=NC=NC=O)NC;VFVZKZVSEBCDOT-UHFFFAOYSA-N;142.16;-1.03;;;;;DOPC;MDCG;27;1;"MARTINI bead: P2_P1";;;;;;;-1.06;;-6.97;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM405266;MM405266;NNC(=NC=NC=O)NN;ONZAMJPBRUVGQU-UHFFFAOYSA-N;144.14;-2.55;;;;;DOPC;MDCG;27;1;"MARTINI bead: P4_P1";;;;;;;-2.01;;-6.82;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM405267;MM405267;N#CC(C#N)OCC=CF;YJIWYHXJDKKYIT-UHFFFAOYSA-N;140.12;0.9;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_P1";;;;;;;0.81;;-0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM405268;MM405268;C=NN=CN=C(NN)NN;HYKKAYFIQATWDK-UHFFFAOYSA-N;143.15;-2.09;;;;;DOPC;MDCG;27;1;"MARTINI bead: P4_N0";;;;;;;-0.88;;-5.18;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM405269;MM405269;C=CC(C=C)OCC=NN;HBODPYMUVYIBPP-UHFFFAOYSA-N;140.19;0.69;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nd_Na";;;;;;;0.87;;-1.88;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM405270;MM405270;CC(O)C1C(C)C1(C)C;UPRLMQPZDMRVCN-UHFFFAOYSA-N;128.22;1.66;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_SC4";;;;;;;1.37;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM405271;MM405271;C=C1C(O)CC(C)C1(C)C;LIIISQOKGRQXLG-UHFFFAOYSA-N;140.23;1.97;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNda_SC1";;;;;;;2.91;;0.57;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM405272;MM405272;CC1CC(O)CC1(C)C;XFLIBBCOKHRNKJ-UHFFFAOYSA-N;128.22;1.8;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNda_SC1";;;;;;;2.91;;0.57;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM405273;MM405273;O=CC(C=O)ONC=NO;QSGUHFWDAUHSBI-UHFFFAOYSA-N;146.1;-1.31;;;;;DOPC;MDCG;27;0;"MARTINI bead: P4_Na";;;;;;;-1.19;;-4.76;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM405274;MM405274;C#CCNC(C)=NN=C;ZNRHJLZDJADUCD-UHFFFAOYSA-N;123.16;0.24;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nd_N0";;;;;;;1.17;;-1.04;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM405275;MM405275;N#CC(C=O)ONC=NO;BWDQDGJEWCYUEL-UHFFFAOYSA-N;143.1;-0.98;;;;;DOPC;MDCG;27;0;"MARTINI bead: P4_Na";;;;;;;-1.19;;-4.76;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM405276;MM405276;CCC(CC)=NN=CC=O;DUBLHRQBAHHKHM-UHFFFAOYSA-N;140.19;1.43;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4_P2";;;;;;;1.09;;-0.38;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM405277;MM405277;N#CC(C#N)ONC=NO;IFMZSTKQCWIWKP-UHFFFAOYSA-N;140.1;-0.66;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_P1";;;;;;;-0.79;;-3.13;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM405278;MM405278;CCC(CO)=NN=CC#N;OJQZTCADUCYJPL-UHFFFAOYSA-N;139.16;0.34;;;;;DOPC;MDCG;27;0;"MARTINI bead: P3_C2";;;;;;;0.86;;-0.3;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM405279;MM405279;C=CN(C=N)CCC=CC;OMKCLRZSTOPZOM-UHFFFAOYSA-N;138.21;2.01;;;;;DOPC;MDCG;27;1;"MARTINI bead: C2_P1";;;;;;;2;;-2.44;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM405280;MM405280;C=CC=NN=C(CO)CO;GXNLUNOQBUYRGD-UHFFFAOYSA-N;142.16;-0.42;;;;;DOPC;MDCG;27;0;"MARTINI bead: P5_C4";;;;;;;0.22;;-2.65;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM405281;MM405281;C=CN(C=N)CCC=CF;POIHHNXSRYSIIC-UHFFFAOYSA-N;142.18;1.91;;;;;DOPC;MDCG;27;1;"MARTINI bead: C4_P1";;;;;;;1.37;;-3.77;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM405282;MM405282;O=CC=NN=C(CO)CF;RAWSWLFQWNNBAX-UHFFFAOYSA-N;146.12;-0.43;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_Nda";;;;;;;0.87;;-1.99;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM405283;MM405283;C=CN(C=O)CCC=CC;WMWYJNQTTGEEHF-UHFFFAOYSA-N;139.2;1.55;;;;;DOPC;MDCG;27;0;"MARTINI bead: C2_P2";;;;;;;1.72;;0.27;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM405284;MM405284;N#CC=NN=C(CO)CF;JPKXRXYAELGFHS-UHFFFAOYSA-N;143.12;-0.1;;;;;DOPC;MDCG;27;0;"MARTINI bead: P3_C4";;;;;;;0.23;;-1.03;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM405285;MM405285;C=CN(C=O)CCC=CF;PKKDUODKIDBFLC-UHFFFAOYSA-N;143.16;1.46;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4_P2";;;;;;;1.09;;-0.38;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM405286;MM405286;CCC(=NN=CC#N)OC;DZYURCYCZDCHBO-UHFFFAOYSA-N;139.16;0.95;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_C5";;;;;;;2.41;;0.64;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM405287;MM405287;C=CN(C=N)CCC=NN;YSVJTFYYXBVBHK-UHFFFAOYSA-N;140.19;0.37;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_P2";;;;;;;-0.24;;-6.93;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM405288;MM405288;C=CC=NN=C(CO)OC;BBDFKOSEKLSVHC-UHFFFAOYSA-N;142.16;0.2;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_C4";;;;;;;1.09;;-0.38;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM405289;MM405289;C=CN(C=N)CCC=NO;SAPGBVUISXCYTG-UHFFFAOYSA-N;141.17;0.89;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nda_P2";;;;;;;-0.24;;-7.21;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM405290;MM405290;COC(CF)=NN=CC=O;JHNWHMFYWWLTIG-UHFFFAOYSA-N;146.12;0.19;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_Na";;;;;;;0.87;;-2.22;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM405291;MM405291;C=CN(C=O)CCC=NN;SHERHSFRNCGKIK-UHFFFAOYSA-N;141.17;-0.08;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nd_P2";;;;;;;-0.24;;-3.16;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM405292;MM405292;COC(CF)=NN=CC#N;USJOHJZVJFUPOC-UHFFFAOYSA-N;143.12;0.51;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_C5";;;;;;;1.64;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM405293;MM405293;C=CN(C=O)CCC=NO;GQWOWIIVNQSOCE-UHFFFAOYSA-N;142.16;0.44;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda_P2";;;;;;;-0.24;;-3.31;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM405294;MM405294;C=CC=NN=C(NC)NC;YEIKVJBVLWXFDY-UHFFFAOYSA-N;140.19;-0.05;;;;;DOPC;MDCG;27;1;"MARTINI bead: P2_C4";;;;;;;1.09;;-1.75;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM405295;MM405295;N=CN(C=N)CCC=NO;ZHNBDNDVOMQDCS-UHFFFAOYSA-N;142.16;0.35;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1_P2";;;;;;;-1.06;;-5.74;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM405296;MM405296;CC(=O)N(C)N=CNN;ZXHINWXEJMGGBN-UHFFFAOYSA-N;130.15;-1.13;;;;;DOPC;MDCG;27;0;"MARTINI bead: P3_Na";;;;;;;-1.1;;-4.2;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM405297;MM405297;N=CN(C=O)CCC=NN;WNUNEYQWMCROKB-UHFFFAOYSA-N;142.16;-0.61;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nd_P3";;;;;;;-1.1;;-3.93;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM405298;MM405298;CC=NNC(=N)C(F)F;PCLXMYQBOWCYEL-UHFFFAOYSA-N;135.12;0.82;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nd_Nd";;;;;;;0.87;;-2.11;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM405299;MM405299;O=CN(C=O)CCC=NO;CRNNEYIZCQJYEX-UHFFFAOYSA-N;144.13;-0.55;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_P2";;;;;;;-1.06;;-3.82;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM405300;MM405300;CNC(=NN=CC#N)OC;HBJODQZHADVLQO-UHFFFAOYSA-N;140.15;-0.28;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_C5";;;;;;;0.54;;-1.09;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM405301;MM405301;C=NN(C=O)CCC=CC;FLIFFJKVAKTUBS-UHFFFAOYSA-N;140.19;1.03;;;;;DOPC;MDCG;27;0;"MARTINI bead: C2_P2";;;;;;;1.72;;0.27;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM405302;MM405302;C=CC=NN=C(OC)OC;RAGACTQGWVNKTQ-UHFFFAOYSA-N;142.16;0.81;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_C4";;;;;;;1.37;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM405303;MM405303;C=CC(O)C1C(C)C1(C)C;FCWOZRYTDCORKH-UHFFFAOYSA-N;140.23;1.83;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda_SC4";;;;;;;2.2;;0.49;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM405304;MM405304;C#CC=CC=C(CC)CC;HWJZQAUEHWSUPH-UHFFFAOYSA-N;134.22;2.92;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1_N0";;;;;;;3.21;;0.46;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM405305;MM405305;C=NN(C=O)CCC=NO;JMRKFMJNRLZVKA-UHFFFAOYSA-N;143.15;-0.09;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_P2";;;;;;;-1.06;;-3.82;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM405306;MM405306;C#CC=CC=C(CC)CN;INCSEUXUDAYMOE-UHFFFAOYSA-N;135.21;1.47;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_N0";;;;;;;1.17;;-3.28;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM405307;MM405307;O=CN(C=O)NCC=CF;RLBFVOQKSIIDNM-UHFFFAOYSA-N;146.12;-0.41;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_P3";;;;;;;-0.33;;-2.01;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM405308;MM405308;C=CCCC1(O)CC1C;BDVKEJMCPKNYLF-UHFFFAOYSA-N;126.2;1.72;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNda_C3";;;;;;;2.57;;0.44;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM405309;MM405309;C=CN(C=N)NCC=NO;NKEZGKKNIQRWFI-UHFFFAOYSA-N;142.16;;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1_P3";;;;;;;-1.93;;-7.51;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM405310;MM405310;C#CC=CC=C(CC)CF;YCFRGRRSWXAUOJ-UHFFFAOYSA-N;138.19;2.48;;;;;DOPC;MDCG;27;0;"MARTINI bead: C3_N0";;;;;;;2.87;;0.37;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM405311;MM405311;C=CN(C=O)NCC=NO;GQLGSGIDIIBHKK-UHFFFAOYSA-N;143.15;-0.45;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_P2";;;;;;;-1.06;;-3.82;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM405312;MM405312;C#CC=CC=C(CN)CN;AAMZJSZZNBVJGH-UHFFFAOYSA-N;136.2;0.02;;;;;DOPC;MDCG;27;1;"MARTINI bead: P2_N0";;;;;;;0.06;;-4.4;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM405313;MM405313;N=CN(C=N)NCC=NN;QXVKDHYETLLNJT-UHFFFAOYSA-N;142.17;-1.05;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_P3";;;;;;;-1.1;;-4.97;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM405314;MM405314;C#CC=CC=C(CO)CO;CUJNSJNSIDETOE-UHFFFAOYSA-N;138.17;0.09;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_N0";;;;;;;0.06;;-2.21;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM405315;MM405315;N=CN(C=O)NCC=NN;LWRLEULIMLNFTM-UHFFFAOYSA-N;143.15;-1.5;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nd_P4";;;;;;;-1.19;;-4.91;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM405316;MM405316;C#CC=CC=C(CO)CF;FXXIRPPOPXGBDQ-UHFFFAOYSA-N;140.16;1.06;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda_N0";;;;;;;1.17;;-1.13;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM405317;MM405317;N=CN(C=O)NCC=NO;UIRIKWJHJPIYAK-UHFFFAOYSA-N;144.13;-0.98;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_P4";;;;;;;-2.01;;-5.13;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM405318;MM405318;C#CC=CC=C(CC)OC;LLWLUENGCPSVLE-UHFFFAOYSA-N;136.19;2.12;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4_N0";;;;;;;2.5;;0.44;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM405319;MM405319;NN=CCNN(C=O)C=O;FNGNCYRKORCWEY-UHFFFAOYSA-N;144.13;-1.95;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_P3";;;;;;;-1.93;;-4.72;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM405320;MM405320;C#CC=CC=C(CO)OC;VJXFDEJAOQPVTA-UHFFFAOYSA-N;138.17;0.7;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda_N0";;;;;;;1.17;;-1.13;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM405321;MM405321;O=CN(C=O)NCC=NO;PHJYMUUCCOOICB-UHFFFAOYSA-N;145.12;-1.43;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_P3";;;;;;;-1.93;;-4.72;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM405322;MM405322;C#CC=NN=C(CC)CC;OZEGEQULXLAFQP-UHFFFAOYSA-N;136.2;1.87;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4_P1";;;;;;;1.37;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM405323;MM405323;N=CN(C=O)OCC=CF;ZRZAWCPBXLRCJO-UHFFFAOYSA-N;146.12;0.47;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_P3";;;;;;;-0.33;;-2.01;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM405324;MM405324;C#CC=NN=C(CC)CO;DPYMFMYXHCMFDQ-UHFFFAOYSA-N;138.17;0.45;;;;;DOPC;MDCG;27;0;"MARTINI bead: P3_C3";;;;;;;0.6;;-0.8;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM405325;MM405325;C=CN(C=N)OCC=NN;YXLVATQKFZYCSE-UHFFFAOYSA-N;142.16;-0.08;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1_P1";;;;;;;-0.79;;-4.44;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM405326;MM405326;C#CC=NN=C(CC)CF;ZXARRKPICFXNCA-UHFFFAOYSA-N;140.16;1.43;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_C3";;;;;;;2.57;;0.45;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM405327;MM405327;C=CN(C=O)OCC=NN;XNMFJTLSISBJEE-UHFFFAOYSA-N;143.15;-0.54;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nd_P2";;;;;;;-0.24;;-3.16;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM405328;MM405328;C#CC=NN=C(CC)OC;NOOUVYRTDBFBJW-UHFFFAOYSA-N;138.17;1.06;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_C5";;;;;;;2.41;;0.64;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM405329;MM405329;N=CN(C=O)OCC=NN;VDLIBPBTBXEENX-UHFFFAOYSA-N;144.13;-1.07;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nd_P3";;;;;;;-1.1;;-3.93;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM405330;MM405330;C=CCC1CC1(O)CC;XQAQFABTJIATDQ-UHFFFAOYSA-N;126.2;1.72;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNda_C4";;;;;;;2.2;;0.49;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM405331;MM405331;NN=CCON(C=O)C=O;WCNVUHOUZRPZIG-UHFFFAOYSA-N;145.12;-1.52;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_P2";;;;;;;-1.06;;-3.82;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM405332;MM405332;C=COC(CC)=NNC;VWSXRSPPVOWJHX-UHFFFAOYSA-N;128.18;1.09;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_N0";;;;;;;0.34;;-1.53;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM405333;MM405333;C#CC(C=C)CCC=CC;VJAMVUCPZUVPCE-UHFFFAOYSA-N;134.22;2.78;;;;;DOPC;MDCG;27;0;"MARTINI bead: C2_C4";;;;;;;4.16;;0.44;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM405334;MM405334;C=CC(=CC=CCC)CC;UEFQMDPFVTWXMA-UHFFFAOYSA-N;136.24;3.48;;;;;DOPC;MDCG;27;0;"MARTINI bead: C3_C1";;;;;;;4.61;;0.31;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM405335;MM405335;C#CC(C=C)CCC=CF;CUYNOZGGESBROG-UHFFFAOYSA-N;138.19;2.69;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4_C4";;;;;;;3.53;;0.53;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM405336;MM405336;C=CC(=CC=CCN)CC;ILONRVBBKOXGCB-UHFFFAOYSA-N;137.23;2.02;;;;;DOPC;MDCG;27;1;"MARTINI bead: C1_P1";;;;;;;2.08;;-0.64;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM405337;MM405337;C#CC(C=O)CCC=CC;QZKQTBJWWDQBEB-UHFFFAOYSA-N;136.19;1.79;;;;;DOPC;MDCG;27;0;"MARTINI bead: C2_Na";;;;;;;2.83;;0.35;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM405338;MM405338;C=CC(=CC=CCO)CC;YXEJXLZZNARKQH-UHFFFAOYSA-N;138.21;2.06;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1_Nda";;;;;;;2.91;;0.57;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM405339;MM405339;C#CC(C#N)CCC=CC;AWPOWANFIPRTTF-UHFFFAOYSA-N;133.19;2.12;;;;;DOPC;MDCG;27;0;"MARTINI bead: C2_N0";;;;;;;3.13;;0.3;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM405340;MM405340;CCC=CC=C(C=O)CC;QPTZKNFADDMUKJ-UHFFFAOYSA-N;138.21;2.49;;;;;DOPC;MDCG;27;0;"MARTINI bead: C3_Na";;;;;;;2.57;;0.45;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM405341;MM405341;C#CC(C=O)CCC=CF;QBEAKMVLVICPSO-UHFFFAOYSA-N;140.16;1.7;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4_Na";;;;;;;2.2;;0.34;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM405342;MM405342;CCC=CC=C(C#N)CC;RLPPHVXSTMFJIS-UHFFFAOYSA-N;135.21;2.81;;;;;DOPC;MDCG;27;0;"MARTINI bead: C3_C5";;;;;;;3.34;;0.48;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM405343;MM405343;C#CC(C=C)CCC=NN;MXMCFXAXSCUPAR-UHFFFAOYSA-N;136.2;1.15;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nd_C4";;;;;;;2.2;;0.32;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM405344;MM405344;CCC(C=O)=CC=CCO;ZAZYTJVQIZISOA-UHFFFAOYSA-N;140.18;1.07;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_Nda";;;;;;;0.87;;-1.99;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM405345;MM405345;C#CC(C=C)CCC=NO;YNILYAGKRZEEOE-UHFFFAOYSA-N;137.18;1.66;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_C4";;;;;;;1.37;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM405346;MM405346;CCC(C#N)=CC=CCO;PZZRKWBKUWBUJK-UHFFFAOYSA-N;137.18;1.39;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_Nda";;;;;;;1.64;;0.05;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM405347;MM405347;C#CC(C=C)CNC=NC;VNPBOIZHSFRHAW-UHFFFAOYSA-N;136.2;0.67;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1_C5";;;;;;;0.81;;-3.91;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM405348;MM405348;CCC(C#N)=CC=CCF;MLTYRWWJGSXISM-UHFFFAOYSA-N;139.17;2.37;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_Na";;;;;;;1.64;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM405349;MM405349;C#CC(C=O)CNC=NC;VERIXAFFXKHPSF-UHFFFAOYSA-N;138.17;-0.32;;;;;DOPC;MDCG;27;1;"MARTINI bead: P2_Na";;;;;;;-0.24;;-6.57;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM405350;MM405350;C=CC(=CC=CCC)CN;CNCLYGZTKLXIJA-UHFFFAOYSA-N;137.23;2.02;;;;;DOPC;MDCG;27;1;"MARTINI bead: C3_Nd";;;;;;;2.57;;-0.92;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM405351;MM405351;C#CC(C=C)CNN=CC;YRHJKRPUPYNKGB-UHFFFAOYSA-N;136.2;1.02;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nd_C5";;;;;;;1.64;;0.02;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM405352;MM405352;C=CC(=CC=CCF)CN;XWPSCNCLFJNIML-UHFFFAOYSA-N;141.19;1.58;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_Na";;;;;;;0.87;;-4.08;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM405353;MM405353;C#CC1=CC(C)(O)C(C)C1;MWTOSDBCIADBMQ-UHFFFAOYSA-N;136.19;1.34;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC5_SNda";;;;;;;1.64;;0.05;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM405354;MM405354;CC1C(=O)CN2CC12C;BRNMRPIJWUAGRE-UHFFFAOYSA-N;125.17;0.28;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP2_SNd";;;;;;;-0.24;;-3.16;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM405355;MM405355;C#CC(C=C)COC=CC;SOHXAVBJUBMZOW-UHFFFAOYSA-N;136.19;1.97;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_C5";;;;;;;2.41;;0.64;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM405356;MM405356;CC(=O)C1=NC(=O)C=C1;ZRDMXYRIYRWVQH-UHFFFAOYSA-N;123.11;0.11;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNa_SNa";;;;;;;0.87;;-2.22;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM405357;MM405357;C#CC(C=C)COC=CF;GTWLXYZYTKDTBV-UHFFFAOYSA-N;140.16;1.88;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_C4";;;;;;;2.2;;0.34;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM405358;MM405358;CCC=CC=C(C=O)CO;VGRQBXJDEZPTIQ-UHFFFAOYSA-N;140.18;1.07;;;;;DOPC;MDCG;27;0;"MARTINI bead: C3_P2";;;;;;;1.46;;-0.15;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM405359;MM405359;C#CC(C=O)COC=CC;YVHNLSZBJSXGLN-UHFFFAOYSA-N;138.17;0.98;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_Na";;;;;;;1.64;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM405360;MM405360;CCC=CC=C(C#N)CO;GIKNPKFPJROIOG-UHFFFAOYSA-N;137.18;1.39;;;;;DOPC;MDCG;27;0;"MARTINI bead: C3_P1";;;;;;;1.74;;0.29;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM405361;MM405361;C#CC(C#N)COC=CC;LUQDSZTVAMVBQR-UHFFFAOYSA-N;135.17;1.31;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_N0";;;;;;;1.94;;0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM405362;MM405362;N#CC(=CC=CCO)CO;HSXWTYZUWZTJHP-UHFFFAOYSA-N;139.15;-0.02;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda_P2";;;;;;;-0.24;;-3.31;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM405363;MM405363;C#CC(C=O)COC=CF;RTSOZEMMXKIKEL-UHFFFAOYSA-N;142.13;0.89;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_Na";;;;;;;0.87;;-2.22;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM405364;MM405364;C=CC(=CC=CCN)CF;HCZSMFCNNGDTMM-UHFFFAOYSA-N;141.19;1.58;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1_C4";;;;;;;1.37;;-2.17;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM405365;MM405365;C#CC(C#N)COC=CF;QHYDQTHXNVTUJD-UHFFFAOYSA-N;139.13;1.22;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_N0";;;;;;;1.17;;-1.18;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM405366;MM405366;C=CC(=CC=CCO)CF;KRMXNOGMFJKZLN-UHFFFAOYSA-N;142.17;1.62;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda_C4";;;;;;;2.2;;0.49;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM405367;MM405367;C#CC(=C)CC(O)CC=C;ZACLUAHJGMCRNZ-UHFFFAOYSA-N;136.19;1.5;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda_C5";;;;;;;1.64;;0.05;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM405368;MM405368;CCC=CC=C(C=O)CF;YOXJCPMELJTTSI-UHFFFAOYSA-N;142.17;2.05;;;;;DOPC;MDCG;27;0;"MARTINI bead: C3_Na";;;;;;;2.57;;0.45;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM405369;MM405369;C#CC(C=C)COC=NO;HKWAVBHYSAVTID-UHFFFAOYSA-N;139.15;0.86;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_C5";;;;;;;0.54;;-1.09;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM405370;MM405370;O=CC(=CC=CCO)CF;PUOTVFSQGMZLMV-UHFFFAOYSA-N;144.15;0.63;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda_Na";;;;;;;0.87;;-1.99;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM405371;MM405371;C#CC(C=C)CON=CC;HVHNXYOGSYABRD-UHFFFAOYSA-N;137.18;1.44;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_C5";;;;;;;1.64;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM405372;MM405372;N#CC(=CC=CCO)CF;KVEBKWKFGDOKSI-UHFFFAOYSA-N;141.15;0.95;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda_Na";;;;;;;0.87;;-1.99;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM405373;MM405373;C#CC(C#N)CON=CC;XDSQGEMYWXFXQF-UHFFFAOYSA-N;136.15;0.78;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_N0";;;;;;;1.17;;-1.18;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM405374;MM405374;C=CC(=CC=COC)CC;ODSNZNTVHVVYRX-UHFFFAOYSA-N;138.21;2.67;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1_Na";;;;;;;2.91;;0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM405375;MM405375;C#CC(C=C)NCC=NN;BZJAAAAELMGAKY-UHFFFAOYSA-N;137.19;-0.29;;;;;DOPC;MDCG;27;0;"MARTINI bead: P3_C5";;;;;;;-0.33;;-2.01;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM405376;MM405376;CCC(C#N)=CC=COC;HMKPRRWEERTVSE-UHFFFAOYSA-N;137.18;2.01;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_Na";;;;;;;1.64;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM405377;MM405377;CCCC(C)NN=CC=O;LFCXMMOFKJIZCG-UHFFFAOYSA-N;142.2;0.95;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1_P1";;;;;;;2.08;;0.48;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM405378;MM405378;C=CC(=CC=COC)CN;XIJXUERQRMPISH-UHFFFAOYSA-N;139.2;1.22;;;;;DOPC;MDCG;27;1;"MARTINI bead: Na_Nd";;;;;;;0.87;;-4.08;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM405379;MM405379;C#CC(C#N)NCC=NO;QJKKQRWTEZIQBP-UHFFFAOYSA-N;137.14;-0.44;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_P1";;;;;;;-0.79;;-3.13;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM405380;MM405380;COC=CC=C(C#N)CO;PPZXFUOWCBLBMX-UHFFFAOYSA-N;139.15;0.59;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_P2";;;;;;;0.54;;-1.09;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM405381;MM405381;C#CC(C=C)NNC=NC;HGTDRZBQPMHQHK-UHFFFAOYSA-N;137.19;-0.07;;;;;DOPC;MDCG;27;1;"MARTINI bead: P3_C5";;;;;;;-0.33;;-4.17;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM405382;MM405382;C=CC(=CC=COC)CF;HSPVSBXUVCDFHH-UHFFFAOYSA-N;142.17;2.23;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_C4";;;;;;;2.2;;0.34;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM405383;MM405383;C#CC(C=O)NNC=NC;QVNQXLGFLCMOGL-UHFFFAOYSA-N;139.16;-1.06;;;;;DOPC;MDCG;27;1;"MARTINI bead: P3_Na";;;;;;;-1.1;;-6.33;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM405384;MM405384;COC=CC=C(C=O)CF;NJRXNYUHEFBUBM-UHFFFAOYSA-N;144.15;1.24;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_Na";;;;;;;0.87;;-2.22;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM405385;MM405385;C#CC(C#N)NNC=NC;VOPBIHDUPSKANB-UHFFFAOYSA-N;136.16;-0.74;;;;;DOPC;MDCG;27;1;"MARTINI bead: P3_N0";;;;;;;-0.8;;-5.08;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM405386;MM405386;C=CC(=CC=NNC)CC;AEUVJDBOSXMXSF-UHFFFAOYSA-N;138.21;1.71;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1_P2";;;;;;;1.8;;0.4;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM405387;MM405387;C#CC(C=C)OCC=CC;AKEQZQAXBSLDDW-UHFFFAOYSA-N;136.19;1.77;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_C5";;;;;;;1.64;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM405388;MM405388;CCC(C#N)=CC=NNC;VVZVODIOGJKTAA-UHFFFAOYSA-N;137.19;1.05;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nd_N0";;;;;;;1.17;;-1.04;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM405389;MM405389;C#CC(C=O)OCC=CC;LTCBOXKTWBMVRA-UHFFFAOYSA-N;138.17;0.78;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_Na";;;;;;;0.87;;-2.22;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM405390;MM405390;CN=c1oc(N)nn1C;WISGLPLQJLRUKW-UHFFFAOYSA-N;128.14;-0.87;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP2_SP2";;;;;;;-1.34;;-4.31;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM405391;MM405391;C#CC(C#N)OCC=CC;GVRXLLNLSWBOMI-UHFFFAOYSA-N;135.17;1.1;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_N0";;;;;;;1.17;;-1.18;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM405392;MM405392;C=C1C2CC2CC1(C)O;VKTLFPPYCYOIPZ-UHFFFAOYSA-N;124.18;1.33;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNda_SC5";;;;;;;1.64;;0.05;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM405393;MM405393;C#CC(C=C)OCC=NN;ZCIGEVJXVYVTRT-UHFFFAOYSA-N;138.17;0.14;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_C5";;;;;;;0.54;;-1.09;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM405394;MM405394;CCC(C#N)=CC=NOC;UCOCBKAUXZRLBQ-UHFFFAOYSA-N;138.17;1.48;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_P1";;;;;;;0.81;;-0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM405395;MM405395;C#CC(C#C)CCC=CC;AEECTXCDADCEGA-UHFFFAOYSA-N;132.21;2.23;;;;;DOPC;MDCG;27;0;"MARTINI bead: C2_C5";;;;;;;3.6;;0.34;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM405396;MM405396;C=CC1(O)CC2CC2C1;DOCBGPUAZKMFOB-UHFFFAOYSA-N;124.18;1.33;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC5_SC4";;;;;;;2.97;;0.45;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM405397;MM405397;C#CC(C#C)CCC=CF;CQMJEBPKYFYAIL-UHFFFAOYSA-N;136.17;2.13;;;;;DOPC;MDCG;27;0;"MARTINI bead: C3_N0";;;;;;;2.87;;0.37;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM405398;MM405398;C=CC(=CC=NOC)CF;LLYZPVNXPCMQCU-UHFFFAOYSA-N;143.16;1.7;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_C4";;;;;;;1.37;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM405399;MM405399;C#CC(C#C)CCC=NN;KYHWLKHMHZYZGP-UHFFFAOYSA-N;134.18;0.59;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nd_C5";;;;;;;1.64;;0.02;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM405400;MM405400;C=CC(=CC=CCC)OC;MCOHCIPMLWBGBV-UHFFFAOYSA-N;138.21;2.67;;;;;DOPC;MDCG;27;0;"MARTINI bead: C3_C4";;;;;;;3.9;;0.47;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM405401;MM405401;C#CC(C#C)CCC=NO;FQLHRBPMNNCBNQ-UHFFFAOYSA-N;135.17;1.11;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_C5";;;;;;;0.81;;-0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM405402;MM405402;COC(C#N)=CC=CCO;KWCYFVHPYKFTOG-UHFFFAOYSA-N;139.15;0.59;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_Nda";;;;;;;0.87;;-1.99;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM405403;MM405403;C#CC(C#C)CNC=NC;HZGQMYRKOJINJJ-UHFFFAOYSA-N;134.18;0.12;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1_N0";;;;;;;0.34;;-4.8;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM405404;MM405404;COC(C=O)=CC=CCF;KSXPUWWHDOLNMK-UHFFFAOYSA-N;144.15;1.24;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_Na";;;;;;;0.87;;-2.22;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM405405;MM405405;C#CC(C#C)CNN=CC;PTNOTPFKGLIWBD-UHFFFAOYSA-N;134.18;0.46;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nd_N0";;;;;;;1.17;;-1.04;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM405406;MM405406;COC(C#N)=CC=CCF;WAXWKYBPOOHCBE-UHFFFAOYSA-N;141.15;1.57;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_Na";;;;;;;0.87;;-2.22;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM405407;MM405407;C#CC(C#C)COC=CC;KJYAURVLCJIUDD-UHFFFAOYSA-N;134.18;1.42;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_N0";;;;;;;1.94;;0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM405408;MM405408;C=CC(=CC=COC)OC;XQYFRXFQTXBCJV-UHFFFAOYSA-N;140.18;1.86;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_C4";;;;;;;2.2;;0.34;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM405409;MM405409;C#CC(C#C)COC=CF;DAZFBWYFOPZAET-UHFFFAOYSA-N;138.14;1.33;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_C5";;;;;;;1.64;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM405410;MM405410;COC=CC=C(C=O)OC;VWIIVFCEWRXKTF-UHFFFAOYSA-N;142.15;0.88;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_Na";;;;;;;0.87;;-2.22;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM405411;MM405411;C=NNC(=N)C(=O)C#CC;QWDPPEQOKNFANC-UHFFFAOYSA-N;137.14;-0.24;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_P2";;;;;;;0.54;;-1.09;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM405412;MM405412;COC=CC=C(C#N)OC;KJNXBXUHMWKSNC-UHFFFAOYSA-N;139.15;1.2;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_Na";;;;;;;0.87;;-2.22;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM405413;MM405413;C#CC(C#C)CON=CC;KQFCTILBVCJSHA-UHFFFAOYSA-N;135.17;0.89;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_C5";;;;;;;0.81;;-0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM405414;MM405414;C=CC(=CC=NNC)OC;UPZWZBLUZCYSET-UHFFFAOYSA-N;140.19;0.91;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_C4";;;;;;;1.09;;-0.38;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM405415;MM405415;C#CC(C#C)NNC=NC;NAHBWTSOYWDOCQ-UHFFFAOYSA-N;135.17;-0.63;;;;;DOPC;MDCG;27;1;"MARTINI bead: P3_N0";;;;;;;-0.8;;-5.09;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM405416;MM405416;C=CC(CC)=NN=CCC;KAGWXCXUBFJIPX-UHFFFAOYSA-N;138.21;2.42;;;;;DOPC;MDCG;27;0;"MARTINI bead: N0_N0";;;;;;;1.47;;-0.05;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM405417;MM405417;CC(C)C(O)CC=CC#N;GHZOCUBJPRDNLG-UHFFFAOYSA-N;139.2;1.47;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda_N0";;;;;;;1.17;;-1.13;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM405418;MM405418;CCC(C=O)=NN=CCO;HUHZPFJMADFNRD-UHFFFAOYSA-N;142.16;0.01;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_C5";;;;;;;0.54;;-1.09;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM405419;MM405419;CC#CCCC(CC)CC;KWTJBQRHYWOHMP-UHFFFAOYSA-N;138.25;3.23;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1_C4";;;;;;;4.24;;0.42;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM405420;MM405420;C=CC(CN)=NN=CCN;MGDFXBZCSXVNAA-UHFFFAOYSA-N;140.19;-0.48;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_P2";;;;;;;-0.24;;-4.16;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM405421;MM405421;CC#CCCC(CC)CN;ZTGQKKJCFUPSGV-UHFFFAOYSA-N;139.24;1.77;;;;;DOPC;MDCG;27;1;"MARTINI bead: C5_C4";;;;;;;2.97;;-0.07;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM405422;MM405422;CCC=NN=C(C#N)CO;BFSKRRBMWYMMJH-UHFFFAOYSA-N;139.16;0.34;;;;;DOPC;MDCG;27;0;"MARTINI bead: C2_P3";;;;;;;0.86;;-0.3;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM405423;MM405423;N=C(NC=CC=O)C(F)F;FRKORIYIMLLGOR-UHFFFAOYSA-N;148.11;0.53;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nd_Na";;;;;;;0.87;;-1.88;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM405424;MM405424;O=CC(CO)=NN=CCF;HPAXKUFNMOESRZ-UHFFFAOYSA-N;146.12;-0.43;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_C5";;;;;;;0.54;;-1.09;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM405425;MM405425;CC#CCCC(CC)CF;VNEFCEOADLQJEJ-UHFFFAOYSA-N;142.22;2.79;;;;;DOPC;MDCG;27;0;"MARTINI bead: C2_C4";;;;;;;4.16;;0.44;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM405426;MM405426;N#CC(CO)=NN=CCF;JYJZEUSYLATIGL-UHFFFAOYSA-N;143.12;-0.1;;;;;DOPC;MDCG;27;0;"MARTINI bead: P3_C4";;;;;;;0.23;;-1.03;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM405427;MM405427;CC#CCCC(CN)CN;NQLSEYLVEPGYDO-UHFFFAOYSA-N;140.23;0.32;;;;;DOPC;MDCG;27;1;"MARTINI bead: C4_P2";;;;;;;1.09;;-3.09;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM405428;MM405428;C=CC(CF)=NN=CCC;ZWKBWROTOXGPNK-UHFFFAOYSA-N;142.18;1.98;;;;;DOPC;MDCG;27;0;"MARTINI bead: N0_Na";;;;;;;1.17;;-1.18;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM405429;MM405429;CC#CCCC(CN)CO;AUUKPWHISAOITM-UHFFFAOYSA-N;141.21;0.36;;;;;DOPC;MDCG;27;1;"MARTINI bead: C4_P2";;;;;;;1.09;;-2.77;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM405430;MM405430;C=CC(CF)=NN=CCO;SJFVESDPTRFLGA-UHFFFAOYSA-N;144.15;0.56;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda_N0";;;;;;;1.17;;-1.13;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM405431;MM405431;CC#CCCC(CN)CF;DLZSEMFMJPVWLO-UHFFFAOYSA-N;143.21;1.33;;;;;DOPC;MDCG;27;1;"MARTINI bead: C4_Nda";;;;;;;2.2;;-1.98;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM405432;MM405432;COC=NN=C(C#N)CF;ZVOZDSNVOKLCBR-UHFFFAOYSA-N;143.12;0.51;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_Na";;;;;;;1.64;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM405433;MM405433;CC#CCCC(CO)CO;NNGDNZFCROODNA-UHFFFAOYSA-N;142.2;0.39;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4_P2";;;;;;;1.09;;-0.38;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM405434;MM405434;C=CC(=NN=CCC)OC;ZPNMPEOSRCMRGH-UHFFFAOYSA-N;140.19;1.61;;;;;DOPC;MDCG;27;0;"MARTINI bead: N0_Na";;;;;;;1.17;;-1.18;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM405435;MM405435;CC#CCCC(CC)NC;JNHJAVFHXXJEQZ-UHFFFAOYSA-N;139.24;1.79;;;;;DOPC;MDCG;27;1;"MARTINI bead: C5_C4";;;;;;;2.97;;-0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM405436;MM405436;C=CC(=NN=CCN)OC;LGZXMKQTUYAETA-UHFFFAOYSA-N;141.17;0.16;;;;;DOPC;MDCG;27;1;"MARTINI bead: N0_P1";;;;;;;0.34;;-2.66;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM405437;MM405437;CC#CCCC(CN)NC;PEJJMNIDOCUORA-UHFFFAOYSA-N;140.23;0.34;;;;;DOPC;MDCG;27;1;"MARTINI bead: P2_C4";;;;;;;1.09;;-3.12;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM405438;MM405438;COC(C=O)=NN=CCF;YUJDUIIVMUTDSA-UHFFFAOYSA-N;146.12;0.19;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_C5";;;;;;;0.81;;-0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM405439;MM405439;CC#CCCC(CC)OC;MOHJPPMKAUYIPM-UHFFFAOYSA-N;140.23;2.21;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4_C4";;;;;;;3.53;;0.53;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM405440;MM405440;COC(C#N)=NN=CCF;YWLDXCGWDDCDAB-UHFFFAOYSA-N;143.12;0.51;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_C5";;;;;;;0.81;;-0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM405441;MM405441;CC#CCCC(CN)OC;OJZPOCMHGWWNBX-UHFFFAOYSA-N;141.21;0.76;;;;;DOPC;MDCG;27;1;"MARTINI bead: P2_C4";;;;;;;1.09;;-2.41;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM405442;MM405442;C=CC(=NN=COC)OC;HEBTWDQCVDXXEH-UHFFFAOYSA-N;142.16;0.81;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_N0";;;;;;;1.17;;-1.18;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM405443;MM405443;CC#CCCC(CO)OC;RFHOJGKMUHALDA-UHFFFAOYSA-N;142.2;0.8;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_C4";;;;;;;1.37;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM405444;MM405444;C=CC=CC=C(C=C)CC;ZUTHPKMUJQOEQQ-UHFFFAOYSA-N;134.22;3.25;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1_C4";;;;;;;4.24;;0.42;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM405445;MM405445;CC#CCCC(CF)OC;UZKGCPRNJGBPRH-UHFFFAOYSA-N;144.19;1.77;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_C4";;;;;;;2.2;;0.34;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM405446;MM405446;C=CC(=CC=CC=O)CC;JAUOCTHTFWXHQU-UHFFFAOYSA-N;136.19;2.26;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1_Na";;;;;;;2.91;;0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM405447;MM405447;CC#CCCC(OC)OC;FHVSMRFMIKPCIP-UHFFFAOYSA-N;142.2;1.41;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_C4";;;;;;;2.2;;0.34;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM405448;MM405448;C=CC(=CC=CC#N)CC;AIKVGKIMDGNGRU-UHFFFAOYSA-N;133.19;2.59;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1_N0";;;;;;;3.21;;0.46;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM405449;MM405449;CC#CCNC(CC)CC;VBFUKSQOUMUTDI-UHFFFAOYSA-N;139.24;1.79;;;;;DOPC;MDCG;27;1;"MARTINI bead: C5_C4";;;;;;;2.97;;0.41;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM405450;MM405450;C=CC=CC=C(C=O)CC;BDUDYJRAKYMDFR-UHFFFAOYSA-N;136.19;2.26;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_C4";;;;;;;2.2;;0.34;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM405451;MM405451;CC#CCNC(CC)CN;FFBSYURRDBBKQM-UHFFFAOYSA-N;140.23;0.34;;;;;DOPC;MDCG;27;1;"MARTINI bead: P2_C4";;;;;;;1.09;;-2.47;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM405452;MM405452;C=CC=CC=C(C#N)CC;GFNMNVPPCXAFFN-UHFFFAOYSA-N;133.19;2.59;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_C4";;;;;;;2.97;;0.45;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM405453;MM405453;CC#CCNC(CC)CO;AMCHXVKIOPXILS-UHFFFAOYSA-N;141.21;0.37;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nda_Nd";;;;;;;0.87;;-3.36;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM405454;MM405454;CCC(C#N)=CC=CC=O;YFZNTWSZRXLBNO-UHFFFAOYSA-N;135.17;1.6;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_Na";;;;;;;1.64;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM405455;MM405455;CC#CCOC(CC)CC;PHYWSDRCTIDCAK-UHFFFAOYSA-N;140.23;2.21;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1_Na";;;;;;;2.91;;0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM405456;MM405456;CCC(C=O)=CC=CC#N;KDNREFUZNNOCFY-UHFFFAOYSA-N;135.17;1.6;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_N0";;;;;;;1.17;;-1.18;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM405457;MM405457;CC#CCOC(CC)CN;ALXIIAZXWUTTQH-UHFFFAOYSA-N;141.21;0.76;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_Na";;;;;;;0.87;;-3.96;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM405458;MM405458;CCC(C#N)=CC=CC#N;UKKSVXYVNUEMFJ-UHFFFAOYSA-N;132.17;1.93;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_P1";;;;;;;0.81;;-0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM405459;MM405459;CC#CCOC(CC)CF;ZKGLQWGTWNHEHW-UHFFFAOYSA-N;144.19;1.77;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4_Na";;;;;;;2.2;;0.34;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM405460;MM405460;C=CC=CC=C(C=C)CN;VULYVYHDMHSMIA-UHFFFAOYSA-N;135.21;1.8;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_C4";;;;;;;2.2;;-1.62;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM405461;MM405461;CC#CCOC(CN)CO;XJDSBRLUCJFZLL-UHFFFAOYSA-N;143.19;-0.65;;;;;DOPC;MDCG;27;1;"MARTINI bead: Na_P2";;;;;;;-0.24;;-4.94;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM405462;MM405462;CNc1nnn(C)c1C;QBFYCVVJZMLDBF-UHFFFAOYSA-N;126.16;0.17;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP1_SP1";;;;;;;-0.79;;-3.13;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM405463;MM405463;CC#CCOC(CC)OC;HSHBQEMDLONJDS-UHFFFAOYSA-N;142.2;1.41;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_C4";;;;;;;2.2;;0.34;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM405464;MM405464;COC=NNC1CC1C;YYYNMRLFTJLVHL-UHFFFAOYSA-N;128.18;0.57;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_SC5";;;;;;;0.81;;-0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM405465;MM405465;CC#CCOC(CN)OC;XHMSXOFDHURZRH-UHFFFAOYSA-N;143.19;-0.04;;;;;DOPC;MDCG;27;1;"MARTINI bead: P5_C4";;;;;;;0.22;;-3.93;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM405466;MM405466;C=CC=CC=C(C#N)CO;WJMNQUNZVMVFTG-UHFFFAOYSA-N;135.17;1.17;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_C4";;;;;;;1.37;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM405467;MM405467;CC#CCCN(CC)CC;ZXPAWABQQHKFNJ-UHFFFAOYSA-N;139.24;1.74;;;;;DOPC;MDCG;27;1;"MARTINI bead: C5_C4";;;;;;;2.97;;0.31;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM405468;MM405468;C=CC=CC=C(C=C)CF;IHKBONJFEKHVGU-UHFFFAOYSA-N;138.19;2.81;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4_C4";;;;;;;3.53;;0.53;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM405469;MM405469;C=CC(CC)CCC#CC;AAZRBRZBVCUUOG-UHFFFAOYSA-N;136.24;3;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1_C4";;;;;;;4.24;;0.42;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM405470;MM405470;C=CC(=CC=CC=O)CF;VYEFYJYWCYTRTF-UHFFFAOYSA-N;140.16;1.82;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4_Na";;;;;;;2.2;;0.34;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM405471;MM405471;CC#CCCC(C=O)CC;FFUVBCWQMHGINN-UHFFFAOYSA-N;138.21;2.02;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_C4";;;;;;;2.97;;0.45;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM405472;MM405472;C=CC(=CC=CC#N)CF;OCTQZMUGUBLSQC-UHFFFAOYSA-N;137.16;2.15;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4_N0";;;;;;;2.5;;0.44;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM405473;MM405473;CC#CCCC(C#N)CC;USWWWOAKVJCUCN-UHFFFAOYSA-N;135.21;2.34;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_C4";;;;;;;2.97;;0.45;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM405474;MM405474;C=CC=CC=C(C=O)CF;CDZIYXCYEIBRQT-UHFFFAOYSA-N;140.16;1.82;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_C4";;;;;;;2.2;;0.34;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM405475;MM405475;C=CC(CN)CCC#CC;HPGMVANNQMMRCI-UHFFFAOYSA-N;137.23;1.55;;;;;DOPC;MDCG;27;1;"MARTINI bead: C4_Nd";;;;;;;2.2;;-2.19;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM405476;MM405476;C=CC=CC=C(C#N)CF;HOMGSAXOEGDKLG-UHFFFAOYSA-N;137.16;2.15;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_C4";;;;;;;2.2;;0.34;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM405477;MM405477;CC(=O)N(C)C(=N)CC=O;HLZGZDPEHYTSLR-UHFFFAOYSA-N;142.16;0.03;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_P2";;;;;;;-0.24;;-3.24;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM405478;MM405478;O=CC=CC=C(C=O)CF;ZGMDQYKAOQSCPL-UHFFFAOYSA-N;142.13;0.84;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_Na";;;;;;;0.87;;-2.22;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM405479;MM405479;CC#CCCC(C=O)CO;ZIXMJINKRFULDN-UHFFFAOYSA-N;140.18;0.6;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4_P2";;;;;;;1.09;;-0.38;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM405480;MM405480;N#CC(=CC=CC=O)CF;YNIBCKLJEDQVTF-UHFFFAOYSA-N;139.13;1.16;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_Na";;;;;;;0.87;;-2.22;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM405481;MM405481;CC#CCCC(C#N)CO;SXHGZODFSZLVAD-UHFFFAOYSA-N;137.18;0.92;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4_P2";;;;;;;1.09;;-0.38;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM405482;MM405482;C=NN=CC=C(C#N)CC;XSYXPUGKMASCQR-UHFFFAOYSA-N;135.17;1.53;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_N0";;;;;;;1.94;;0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM405483;MM405483;C=CC(CF)CCC#CC;DTUMMGFGYIVTMF-UHFFFAOYSA-N;140.2;2.56;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4_C4";;;;;;;3.53;;0.53;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM405484;MM405484;C=CC(=CC=NN=C)CN;KCJFVRKUSALZFN-UHFFFAOYSA-N;137.19;0.74;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_N0";;;;;;;1.17;;-3.24;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM405485;MM405485;CC#CCCC(C#N)CF;KARZCXPHCPNOBA-UHFFFAOYSA-N;139.17;1.9;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4_Na";;;;;;;2.2;;0.34;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM405486;MM405486;C=NN=CC=C(C#N)CO;GLAQLTSNWCYKCN-UHFFFAOYSA-N;137.14;0.12;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_N0";;;;;;;0.34;;-1.53;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM405487;MM405487;C=CC(CCC#CC)NC;NGHNPSDZFTYNNL-UHFFFAOYSA-N;137.23;1.56;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_C3";;;;;;;2.57;;-1.22;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM405488;MM405488;C=NN=CC=C(C#N)CF;SESHQHWBKBSGIC-UHFFFAOYSA-N;139.13;1.09;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_N0";;;;;;;1.17;;-1.18;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM405489;MM405489;CC#CCCC(C=O)NC;LDAQNTHLNOJFQI-UHFFFAOYSA-N;139.2;0.58;;;;;DOPC;MDCG;27;1;"MARTINI bead: P2_C4";;;;;;;1.09;;-1.58;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM405490;MM405490;C=CC(C=CNN=C)=NC;YPZQRAGIFTZNMN-UHFFFAOYSA-N;137.19;0.96;;;;;DOPC;MDCG;27;1;"MARTINI bead: C4_P2";;;;;;;1.09;;-3.99;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM405491;MM405491;CC#CCCC(C=O)OC;CDXGVPZXDQVVIP-UHFFFAOYSA-N;140.18;1;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_C4";;;;;;;2.2;;0.34;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM405492;MM405492;C=CC=CC=C(C#N)OC;NPFFUAWGQNSDMT-UHFFFAOYSA-N;135.17;1.78;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_C4";;;;;;;2.2;;0.34;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM405493;MM405493;CC#CCCC(C#N)OC;DUHVHULGDYEYBQ-UHFFFAOYSA-N;137.18;1.33;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_C4";;;;;;;2.2;;0.34;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM405494;MM405494;COC(C#N)=CC=CC=O;OMEBTDYVCPHPPK-UHFFFAOYSA-N;137.14;0.8;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_Na";;;;;;;0.87;;-2.22;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM405495;MM405495;C=CC(CC)NCC#CC;YMTSDHNXUHAUKG-UHFFFAOYSA-N;137.23;1.56;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_C4";;;;;;;2.2;;-0.8;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM405496;MM405496;COC(C=O)=CC=CC#N;OSYFRKAJTUUSNM-UHFFFAOYSA-N;137.14;0.8;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_N0";;;;;;;1.17;;-1.18;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM405497;MM405497;CC#CCNC(C#N)CC;UODDDSHQPGCJSA-UHFFFAOYSA-N;136.2;0.9;;;;;DOPC;MDCG;27;0;"MARTINI bead: N0_Nd";;;;;;;1.17;;-1.04;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM405498;MM405498;C=NN=CC=C(C=O)OC;CEUOOSKGESNBIT-UHFFFAOYSA-N;140.14;0.4;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_N0";;;;;;;1.17;;-1.18;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM405499;MM405499;C=CC(CN)NCC#CC;HOQUGWAWZVITNS-UHFFFAOYSA-N;138.21;0.11;;;;;DOPC;MDCG;27;1;"MARTINI bead: C4_P3";;;;;;;0.23;;-2.98;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM405500;MM405500;C=NN=CC=C(C#N)OC;HDAZTNCECIBWMY-UHFFFAOYSA-N;137.14;0.73;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_N0";;;;;;;1.17;;-1.18;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM405501;MM405501;CNN=c1oc(=O)n(N)o1;XUNZOQHWRSQJDY-UHFFFAOYSA-N;146.11;-2.22;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_SP2";;;;;;;-1.34;;-4.31;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM405502;MM405502;C=CC=NN=C(C=C)CC;LIHIMYKJLGLBQR-UHFFFAOYSA-N;136.2;2.2;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1_N0";;;;;;;3.21;;0.46;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM405503;MM405503;C=CC(CC)OCC#CC;YURIYBXDPOVYOF-UHFFFAOYSA-N;138.21;1.99;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1_Na";;;;;;;2.91;;0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM405504;MM405504;C=CC(CC)=NN=CC=O;FNIUQYYICLONLJ-UHFFFAOYSA-N;138.17;1.21;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1_P1";;;;;;;2.08;;0.48;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM405505;MM405505;CC#CCOC(C=O)CC;IKQRTYYFRGMVDX-UHFFFAOYSA-N;140.18;1;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_Na";;;;;;;1.64;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM405506;MM405506;C=CC=NN=C(C#N)CC;MXWWRPROMNQURE-UHFFFAOYSA-N;135.17;1.53;;;;;DOPC;MDCG;27;0;"MARTINI bead: N0_N0";;;;;;;1.47;;-0.05;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM405507;MM405507;CC#CCOC(C#N)CC;RLVYMTMRJMEQOW-UHFFFAOYSA-N;137.18;1.33;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_C4";;;;;;;1.37;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM405508;MM405508;CCC(C#N)=NN=CC#N;KJKDJXSJXJDNBR-UHFFFAOYSA-N;134.14;0.87;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_C5";;;;;;;2.41;;0.7;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM405509;MM405509;C=CC=NN=C(C=C)CF;ZXSCOLLHHOLFAY-UHFFFAOYSA-N;140.16;1.75;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_C4";;;;;;;2.2;;0.34;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM405510;MM405510;C=CC(CN)OCC#CC;DZWWEGKZSCQVEO-UHFFFAOYSA-N;139.2;0.54;;;;;DOPC;MDCG;27;1;"MARTINI bead: Na_Nd";;;;;;;0.87;;-3.91;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM405511;MM405511;C=CC(CF)=NN=CC#N;DVBYNRMJXDDMRB-UHFFFAOYSA-N;139.13;1.09;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_C4";;;;;;;2.2;;0.34;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM405512;MM405512;C=CC(CO)OCC#CC;ISWRMJCIFDESGM-UHFFFAOYSA-N;140.18;0.57;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_Nda";;;;;;;0.87;;-1.99;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM405513;MM405513;O=CC=NN=C(C=O)CF;BARFHGNTTSCHIA-UHFFFAOYSA-N;144.11;-0.22;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_Na";;;;;;;0.87;;-2.22;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM405514;MM405514;CC#CCOC(C#N)CO;RYNNUFJSAZMUHO-UHFFFAOYSA-N;139.15;-0.09;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4_P4";;;;;;;0.15;;-2.18;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM405515;MM405515;N#CC(CF)=NN=CC=O;GGENLEUMBFOPPK-UHFFFAOYSA-N;141.11;0.11;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_C5";;;;;;;1.64;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM405516;MM405516;C=CC(OC)OCC#CC;KESUXGMGNBZOJH-UHFFFAOYSA-N;140.18;1.18;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_Na";;;;;;;0.87;;-2.22;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM405517;MM405517;N#CC=NN=C(C=O)CF;GLRGIQIPUYQZPR-UHFFFAOYSA-N;141.11;0.11;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_C4";;;;;;;1.09;;-0.38;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM405518;MM405518;CC#CCOC(C#N)OC;VITXNNAFBPVMHO-UHFFFAOYSA-N;139.15;0.52;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_C4";;;;;;;1.09;;-0.38;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM405519;MM405519;N#CC=NN=C(C#N)CF;GLPTYVQLPNZEKB-UHFFFAOYSA-N;138.11;0.43;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_C5";;;;;;;1.64;;-0.05;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM405520;MM405520;CC#CCCN(C=N)CC;QUSLBLDLYAQFCE-UHFFFAOYSA-N;138.21;1.33;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_C4";;;;;;;2.2;;-3.51;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM405521;MM405521;C=CC(=NN=CC#N)OC;LGDPZGHWQGUGLB-UHFFFAOYSA-N;137.14;0.73;;;;;DOPC;MDCG;27;0;"MARTINI bead: N0_C5";;;;;;;1.94;;0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM405522;MM405522;CC#CCCN(C=O)CC;XQOYIAXAPHHNRJ-UHFFFAOYSA-N;139.2;0.88;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_C4";;;;;;;1.37;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM405523;MM405523;C=CC=NN=C(C=O)OC;LQTDBZLTZYAXIX-UHFFFAOYSA-N;140.14;0.4;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_C4";;;;;;;1.37;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM405524;MM405524;C=NN(CC)CCC#CC;YIMOOQHBFJGVFB-UHFFFAOYSA-N;138.21;1.34;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_C4";;;;;;;1.37;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM405525;MM405525;C=CC=NN=C(C#N)OC;QLJDKLTWBKPXKO-UHFFFAOYSA-N;137.14;0.73;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_C4";;;;;;;1.37;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM405526;MM405526;CC#CCCN(C=N)NC;CSZLTLMWJDCEBP-UHFFFAOYSA-N;139.2;0.44;;;;;DOPC;MDCG;27;1;"MARTINI bead: P4_C4";;;;;;;0.15;;-4.4;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM405527;MM405527;COC(C=O)=NN=CC#N;OQPNTESHXYLFMM-UHFFFAOYSA-N;139.11;-0.26;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_C5";;;;;;;0.54;;-1.09;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM405528;MM405528;CC#CCCN(C=O)NC;AHABEJNVAYVMIB-UHFFFAOYSA-N;140.19;-0.01;;;;;DOPC;MDCG;27;0;"MARTINI bead: P3_C4";;;;;;;0.23;;-1.03;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM405529;MM405529;C#CC=CC=C(C=C)CC;HREWZTHSCQVDRH-UHFFFAOYSA-N;132.21;2.7;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1_N0";;;;;;;3.21;;0.46;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM405530;MM405530;CC#CCCN(C=O)OC;ZKLZYUPNHKBQTC-UHFFFAOYSA-N;141.17;0.42;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_C4";;;;;;;1.09;;-0.38;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM405531;MM405531;C#CC=CC=C(C=O)CC;IHOJLJQAQOFIQI-UHFFFAOYSA-N;134.18;1.71;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_N0";;;;;;;1.17;;-1.18;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM405532;MM405532;CC#CCON(C=N)CC;FZSWREHJOJFNHJ-UHFFFAOYSA-N;140.19;0.87;;;;;DOPC;MDCG;27;1;"MARTINI bead: P2_C4";;;;;;;1.09;;-1.39;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM405533;MM405533;CC#CCON(C=O)CC;RURNTIIVBBLXCR-UHFFFAOYSA-N;141.17;0.42;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_C4";;;;;;;1.09;;-0.38;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM405534;MM405534;C#CC=CC=C(C#N)CC;JLXKVQBQTGOOCM-UHFFFAOYSA-N;131.18;2.04;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_N0";;;;;;;1.94;;0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM405535;MM405535;C#CC(CC)CCC#CC;WEJXLKIYTCHVKI-UHFFFAOYSA-N;134.22;2.45;;;;;DOPC;MDCG;27;0;"MARTINI bead: C2_C4";;;;;;;4.16;;0.44;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM405536;MM405536;C#CC=CC=C(C=C)CN;LHHXRDHIHKKHQL-UHFFFAOYSA-N;133.19;1.25;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_N0";;;;;;;1.17;;-3.24;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM405537;MM405537;C#CC(CN)CCC#CC;FTCMNZBFOVQWPV-UHFFFAOYSA-N;135.21;1;;;;;DOPC;MDCG;27;1;"MARTINI bead: C4_Nd";;;;;;;2.2;;-1.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM405538;MM405538;C#CC1C=CC(=NN)C1;VXCWNAGOBNHQLN-UHFFFAOYSA-N;120.16;0.51;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNd_SC5";;;;;;;1.64;;0.02;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM405539;MM405539;N=c1nc(N)c(=O)n(N)o1;VJWKFXNTNIVPPT-UHFFFAOYSA-N;143.11;-2.39;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP3_SP3";;;;;;;-3.07;;-6.15;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM405540;MM405540;C#CC=CC=C(C#N)CO;GAPGHOHCDMRVRL-UHFFFAOYSA-N;133.15;0.62;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_N0";;;;;;;0.34;;-1.53;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM405541;MM405541;C#CC(CF)CCC#CC;QJOSDOVGVWCXSQ-UHFFFAOYSA-N;138.19;2.01;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4_C5";;;;;;;2.97;;0.45;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM405542;MM405542;C#CC=CC=C(C=C)CF;QDEUMEDOROHUPQ-UHFFFAOYSA-N;136.17;2.26;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4_N0";;;;;;;2.5;;0.44;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM405543;MM405543;C#CC(CCC#CC)NC;UISULCLTRGHVQR-UHFFFAOYSA-N;135.21;1.01;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1_C4";;;;;;;1.37;;-1.91;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM405544;MM405544;C#CC=CC=C(C=O)CF;KLHHHMUGVAGTEA-UHFFFAOYSA-N;138.14;1.27;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_N0";;;;;;;1.17;;-1.18;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM405545;MM405545;C#CC(CN)NCC#CC;OIXWENQBZROYEO-UHFFFAOYSA-N;136.2;-0.44;;;;;DOPC;MDCG;27;1;"MARTINI bead: C4_P3";;;;;;;0.23;;-2.65;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM405546;MM405546;C#CC=CC=C(C#N)CF;MRUOMWBWRSOIBO-UHFFFAOYSA-N;135.14;1.6;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_N0";;;;;;;1.17;;-1.18;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM405547;MM405547;C#CC(CC)OCC#CC;AQIZCGXHJNCJOG-UHFFFAOYSA-N;136.19;1.44;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_C4";;;;;;;2.2;;0.34;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM405548;MM405548;C#CC=CC=C(C=C)OC;NSXQKAWJPUWRCF-UHFFFAOYSA-N;134.18;1.89;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4_N0";;;;;;;2.5;;0.44;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM405549;MM405549;C#CC(CN)OCC#CC;CBZXLXHMCITALB-UHFFFAOYSA-N;137.18;-0.01;;;;;DOPC;MDCG;27;1;"MARTINI bead: Na_Nd";;;;;;;0.87;;-3.57;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM405550;MM405550;C#CC=CC=C(C=O)OC;XUQPKDYLHHDDSS-UHFFFAOYSA-N;136.15;0.91;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_N0";;;;;;;1.17;;-1.18;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM405551;MM405551;C#CC(CO)OCC#CC;FZPUHRSWMDURMO-UHFFFAOYSA-N;138.17;0.02;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_Nda";;;;;;;0.87;;-1.99;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM405552;MM405552;C#CC=CC=C(C#N)OC;HFXVOCJOHMBNHO-UHFFFAOYSA-N;133.15;1.23;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_N0";;;;;;;1.17;;-1.18;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM405553;MM405553;C#CC(OC)OCC#CC;AQSUIYJOFJXAKX-UHFFFAOYSA-N;138.17;0.63;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_Na";;;;;;;0.87;;-2.22;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM405554;MM405554;C#CC=NN=C(C=C)CC;UAUBSCMSVAOOLK-UHFFFAOYSA-N;134.18;1.64;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_C4";;;;;;;2.97;;0.45;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM405555;MM405555;C=CC(C=C)CCC#CC;IHYTUGOFFFRUOJ-UHFFFAOYSA-N;134.22;2.78;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4_C1";;;;;;;4.24;;0.42;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM405556;MM405556;C#CC=NN=C(C=C)CO;QCGMKLGYMBVMON-UHFFFAOYSA-N;136.15;0.22;;;;;DOPC;MDCG;27;0;"MARTINI bead: N0_Nda";;;;;;;1.17;;-1.13;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM405557;MM405557;C=CC(C=O)CCC#CC;WMSYQEUCXDXIAI-UHFFFAOYSA-N;136.19;1.79;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4_Na";;;;;;;2.2;;0.34;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM405558;MM405558;C#CC=NN=C(C=O)OC;RNVNZGJCTQKQAT-UHFFFAOYSA-N;138.13;-0.15;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_C5";;;;;;;0.54;;-1.09;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM405559;MM405559;C=CC(C#N)CCC#CC;AHVCFGGAZJDSSV-UHFFFAOYSA-N;133.19;2.12;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4_C5";;;;;;;2.97;;0.45;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM405560;MM405560;C#CC(=CC=CCC)CC;FMCXSLOPHWEIPY-UHFFFAOYSA-N;134.22;2.92;;;;;DOPC;MDCG;27;0;"MARTINI bead: C3_C4";;;;;;;3.9;;0.47;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM405561;MM405561;CC#CCCC(C#N)C=O;NWVDYIPLMUSHHV-UHFFFAOYSA-N;135.17;1.13;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4_Na";;;;;;;2.2;;0.34;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM405562;MM405562;C#CC(=CC=CCN)CC;LURPRHPKIAJBJT-UHFFFAOYSA-N;135.21;1.47;;;;;DOPC;MDCG;27;1;"MARTINI bead: C4_P1";;;;;;;1.37;;-2.17;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM405563;MM405563;C=CC(C#N)NCC#CC;ZGAUOQSHAWKKBZ-UHFFFAOYSA-N;134.18;0.68;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nd_N0";;;;;;;1.17;;-1.04;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM405564;MM405564;C#CC(=CC=CCO)CC;WNLOXFXXGDKPHH-UHFFFAOYSA-N;136.19;1.5;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4_Nda";;;;;;;2.2;;0.49;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM405565;MM405565;C=CC(C=C)OCC#CC;KFWVZYFPXZBZML-UHFFFAOYSA-N;136.19;1.77;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_C2";;;;;;;2.83;;0.35;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM405566;MM405566;C#CC(=CC=CCF)CC;NLYBFDAKSSBUTJ-UHFFFAOYSA-N;138.19;2.48;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4_Na";;;;;;;2.2;;0.34;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM405567;MM405567;C=CC(C=O)OCC#CC;CAUZUZLBCCCSIF-UHFFFAOYSA-N;138.17;0.78;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_Na";;;;;;;0.87;;-2.22;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM405568;MM405568;C#CC(=CC=CCF)CN;FIWQDAJUMIRDPE-UHFFFAOYSA-N;139.17;1.03;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_Na";;;;;;;0.87;;-3.65;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM405569;MM405569;C=CC(C#N)OCC#CC;PNIMOAHTKJQHDZ-UHFFFAOYSA-N;135.17;1.1;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_N0";;;;;;;1.17;;-1.18;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM405570;MM405570;C#CC(=CC=CCC)CO;VCTSHRMFGXQJLF-UHFFFAOYSA-N;136.19;1.5;;;;;DOPC;MDCG;27;0;"MARTINI bead: C3_Nda";;;;;;;2.57;;0.44;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM405571;MM405571;CC#CCOC(C=O)C=O;IPLIFKKOEMSUAA-UHFFFAOYSA-N;140.14;-0.21;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_Na";;;;;;;0.87;;-2.22;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM405572;MM405572;C#CC(=CC=CCF)CO;PORDUJHSDXDODF-UHFFFAOYSA-N;140.16;1.06;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda_Na";;;;;;;0.87;;-1.99;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM405573;MM405573;CC#CCOC(C#N)C=O;CGOSVXDVSOFQKQ-UHFFFAOYSA-N;137.14;0.12;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_Na";;;;;;;0.87;;-2.22;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM405574;MM405574;C#CC(=CC=CCC)CF;MCZINELJCLWUQG-UHFFFAOYSA-N;138.19;2.48;;;;;DOPC;MDCG;27;0;"MARTINI bead: C3_C5";;;;;;;3.34;;0.48;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM405575;MM405575;CC#CCOC(C#N)C#N;HTBOOHKXHZFUML-UHFFFAOYSA-N;134.14;0.44;;;;;DOPC;MDCG;27;0;"MARTINI bead: N0_P1";;;;;;;0.34;;-1.53;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM405576;MM405576;C#CC(=CC=CCN)CF;WHIQILJFVRYRNY-UHFFFAOYSA-N;139.17;1.03;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1_C5";;;;;;;0.81;;-2.72;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM405577;MM405577;C=CN(C=N)CCC#CC;OXGFBOKMWCSADS-UHFFFAOYSA-N;136.2;1.45;;;;;DOPC;MDCG;27;1;"MARTINI bead: C4_P1";;;;;;;1.37;;-3.6;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM405578;MM405578;C#CC(=CC=CCF)CF;OMMUBZPNXQHQQF-UHFFFAOYSA-N;142.15;2.04;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_C5";;;;;;;1.64;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM405579;MM405579;C=CN(C=O)CCC#CC;IWJWGEMDDDMQGI-UHFFFAOYSA-N;137.18;1;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4_P2";;;;;;;1.09;;-0.38;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM405580;MM405580;C#CC(=CC=COC)CC;JVUSHAJFGZOBGY-UHFFFAOYSA-N;136.19;2.12;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4_Na";;;;;;;2.2;;0.34;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM405581;MM405581;CC#CCCN(C=N)C=O;YCAZUCIFXQEJLN-UHFFFAOYSA-N;138.17;0.47;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4_P3";;;;;;;0.23;;-1.03;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM405582;MM405582;C#CC(=CC=COC)CN;QTZGKKBYRCGZCF-UHFFFAOYSA-N;137.18;0.66;;;;;DOPC;MDCG;27;1;"MARTINI bead: Na_Nd";;;;;;;0.87;;-3.65;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM405583;MM405583;C=NN(C=N)CCC#CC;KNUBGZSIFRIHIW-UHFFFAOYSA-N;137.19;0.92;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4_P2";;;;;;;1.09;;-0.37;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM405584;MM405584;C#CC(=CC=COC)CO;OSMSQHAQXZFHNL-UHFFFAOYSA-N;138.17;0.7;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_Nda";;;;;;;0.87;;-1.99;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM405585;MM405585;C=NN(C=O)CCC#CC;ITXHZIWXRFCNHZ-UHFFFAOYSA-N;138.17;0.47;;;;;DOPC;MDCG;27;0;"MARTINI bead: N0_P1";;;;;;;0.34;;-1.53;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM405586;MM405586;C#CC(=CC=NNC)CC;OPFMLGPWZZSYPC-UHFFFAOYSA-N;136.2;1.16;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4_P2";;;;;;;1.09;;-0.38;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM405587;MM405587;C=CN(C=N)OCC#CC;DIMLFEONVGYBHY-UHFFFAOYSA-N;138.17;0.99;;;;;DOPC;MDCG;27;1;"MARTINI bead: C4_P2";;;;;;;1.09;;-1.59;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM405588;MM405588;C#CC(=CC=NNC)CN;DPUGSWXCLKGXRQ-UHFFFAOYSA-N;137.19;-0.29;;;;;DOPC;MDCG;27;1;"MARTINI bead: P2_Nd";;;;;;;-0.24;;-4.91;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM405589;MM405589;C#CC(C=C)CCC#CC;FXNBXSLFZACXHN-UHFFFAOYSA-N;132.21;2.23;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4_C4";;;;;;;3.53;;0.53;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM405590;MM405590;C#CC(=O)CCN1CC1;LJXBTQCVBKHRCU-UHFFFAOYSA-N;123.16;-0.11;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_SP1";;;;;;;0.04;;-2.54;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM405591;MM405591;C#CC(C=O)CCC#CC;JJVMPALVYSSUIG-UHFFFAOYSA-N;134.18;1.24;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4_Na";;;;;;;2.2;;0.34;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM405592;MM405592;C#CC(=CC=NNC)CF;BCZHRHCNDNGIPZ-UHFFFAOYSA-N;140.16;0.72;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_C5";;;;;;;0.54;;-1.09;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM405593;MM405593;C#CC(C#N)CCC#CC;KJMBNTWBXUHHAU-UHFFFAOYSA-N;131.18;1.56;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4_N0";;;;;;;2.5;;0.44;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM405594;MM405594;C#CC(=CC=NOC)CC;HUONJMMTBBPPLU-UHFFFAOYSA-N;137.18;1.59;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4_P1";;;;;;;1.37;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM405595;MM405595;CN(C)n1oc(N)nc1=O;PJBLHBAFRYJZFQ-UHFFFAOYSA-N;144.13;-1.38;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP2_SP1";;;;;;;-1.06;;-3.82;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM405596;MM405596;C#CC(=CC=CCC)OC;NTZTXIUFFJWRSZ-UHFFFAOYSA-N;136.19;2.12;;;;;DOPC;MDCG;27;0;"MARTINI bead: C3_Na";;;;;;;2.57;;0.45;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM405597;MM405597;C#CC(C=C)OCC#CC;OQVBHCWGWLRAQV-UHFFFAOYSA-N;134.18;1.21;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4_P1";;;;;;;1.37;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM405598;MM405598;C#CC(=CC=CCN)OC;AWGHRFXQAFWGII-UHFFFAOYSA-N;137.18;0.66;;;;;DOPC;MDCG;27;1;"MARTINI bead: Na_Nd";;;;;;;0.87;;-4.12;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM405599;MM405599;C#CC(C=O)OCC#CC;ABJJFYGDHYKVAH-UHFFFAOYSA-N;136.15;0.23;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_Na";;;;;;;0.87;;-2.22;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM405600;MM405600;C#CC(=CC=CCO)OC;IBQAHCBYEDFYNQ-UHFFFAOYSA-N;138.17;0.7;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_Nda";;;;;;;0.87;;-1.99;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM405601;MM405601;C#CC(C#N)OCC#CC;DDSRKEKHTKOMSP-UHFFFAOYSA-N;133.15;0.55;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4_P2";;;;;;;1.09;;-0.38;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM405602;MM405602;C#CC(=CC=COC)OC;VCKCDWCOGGGFLM-UHFFFAOYSA-N;138.17;1.31;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_Na";;;;;;;0.87;;-2.22;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM405603;MM405603;C#CC(C#C)CCC#CC;PHBXTTUOXSLUJN-UHFFFAOYSA-N;130.19;1.67;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4_C5";;;;;;;2.97;;0.45;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM405604;MM405604;C#CC(=CC=NOC)OC;WHURGXDXEYMZBO-UHFFFAOYSA-N;139.15;0.78;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_Na";;;;;;;0.87;;-2.22;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM405605;MM405605;C#CC(C#C)OCC#CC;AVPLNLMBXIFWJA-UHFFFAOYSA-N;132.16;0.66;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_N0";;;;;;;1.17;;-1.18;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM405606;MM405606;C#CC(CC)=NN=CCC;VMVCUHVFERETGK-UHFFFAOYSA-N;136.2;1.87;;;;;DOPC;MDCG;27;0;"MARTINI bead: N0_N0";;;;;;;1.47;;-0.05;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM405607;MM405607;CCC=CCC(CC)CC;QTEXBVZIXIWCHN-UHFFFAOYSA-N;140.27;3.78;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1_C1";;;;;;;4.95;;0.69;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM405608;MM405608;C#CC(CC)=NN=CCF;KLDRIGDUPLWSHZ-UHFFFAOYSA-N;140.16;1.43;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_C3";;;;;;;1.74;;0.29;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM405609;MM405609;CCC(CC)CC=CCN;XRBYFPYBNSFYFS-UHFFFAOYSA-N;141.26;2.33;;;;;DOPC;MDCG;27;1;"MARTINI bead: C1_P1";;;;;;;2.08;;-0.65;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM405610;MM405610;C#CC(CO)=NN=CCC;GRIPRCQOGDLZFN-UHFFFAOYSA-N;138.17;0.45;;;;;DOPC;MDCG;27;0;"MARTINI bead: C3_P3";;;;;;;0.6;;-0.8;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM405611;MM405611;CCC(CC)CC=CCO;UGNOYSWEASWARO-UHFFFAOYSA-N;142.24;2.36;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1_Nda";;;;;;;2.91;;0.57;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM405612;MM405612;C#CC(CO)=NN=CCO;DLRLQSLKRGFEQQ-UHFFFAOYSA-N;140.14;-0.97;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_Nda";;;;;;;-0.24;;-3.31;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM405613;MM405613;CCC(CC)CC=CCF;NSXHKWXQXNGOIO-UHFFFAOYSA-N;144.23;3.34;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1_C4";;;;;;;4.24;;0.42;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM405614;MM405614;C#CC(CO)=NN=CCF;CNXZYNKSCHCVCT-UHFFFAOYSA-N;142.13;0.01;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_C5";;;;;;;0.54;;-1.09;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM405615;MM405615;CCC=CCC(CC)CN;HGLYWNUPYYODRM-UHFFFAOYSA-N;141.26;2.33;;;;;DOPC;MDCG;27;1;"MARTINI bead: C1_Nd";;;;;;;2.91;;-0.56;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM405616;MM405616;C#CC(CC)=NN=COC;GWLDZVIGXQGCAV-UHFFFAOYSA-N;138.17;1.06;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_C3";;;;;;;1.74;;0.29;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM405617;MM405617;CCC(CN)CC=CCN;ZBZNUCMCHNBSSQ-UHFFFAOYSA-N;142.25;0.88;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_Nd";;;;;;;0.87;;-5.03;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM405618;MM405618;C#CC(=NN=CCF)OC;MWAUXIXIQPGSDU-UHFFFAOYSA-N;142.13;0.62;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_C5";;;;;;;1.64;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM405619;MM405619;CCC(CN)CC=CCO;SBVDJNRNNOVFNU-UHFFFAOYSA-N;143.23;0.91;;;;;DOPC;MDCG;27;1;"MARTINI bead: C5_Nda";;;;;;;1.64;;-2.68;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM405620;MM405620;C#CC(=CC=CC=C)CC;YKIAJCBEDKHVPT-UHFFFAOYSA-N;132.21;2.7;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4_C4";;;;;;;3.53;;0.53;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM405621;MM405621;C#CC(=O)C1NC1(C)C#C;AZYDPPSXDVGKCP-UHFFFAOYSA-N;133.15;-0.45;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP1_P1";;;;;;;-0.79;;-3.13;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM405622;MM405622;C#CC(=CC=CC=O)CC;QKQLSPFJPMYUPG-UHFFFAOYSA-N;134.18;1.71;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4_Na";;;;;;;2.2;;0.34;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM405623;MM405623;CCC(CO)CC=CCN;ZHTWLJWHPPONIH-UHFFFAOYSA-N;143.23;0.91;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nda_Nd";;;;;;;0.87;;-4.16;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM405624;MM405624;C#CC(=CC=CC#N)CC;RMTPWQRPWQRNOK-UHFFFAOYSA-N;131.18;2.04;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4_N0";;;;;;;2.5;;0.44;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM405625;MM405625;CCC(CO)CC=CCO;NZPLDABHFNBWKT-UHFFFAOYSA-N;144.21;0.94;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda_Nda";;;;;;;0.87;;-2.07;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM405626;MM405626;C#CC(=CC=CC=C)CN;OOMSXHRQCQKYOW-UHFFFAOYSA-N;133.19;1.25;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_C4";;;;;;;2.2;;-1.2;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM405627;MM405627;CCC(CF)CC=CCO;GWCSEOJBEFCISG-UHFFFAOYSA-N;146.21;1.92;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4_Nda";;;;;;;2.2;;0.49;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM405628;MM405628;C#CC(=CC=CC=C)CF;HXHSVTPOBFUYBG-UHFFFAOYSA-N;136.17;2.26;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_C4";;;;;;;2.97;;0.45;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM405629;MM405629;OCC=CCC(CO)CO;YOFCXBPUIVLDNY-UHFFFAOYSA-N;146.19;-0.47;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda_P2";;;;;;;-0.24;;-3.31;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM405630;MM405630;C#CC(=CC=NN=C)CC;KBJWZJUXDXREGQ-UHFFFAOYSA-N;134.18;1.64;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4_N0";;;;;;;2.5;;0.44;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM405631;MM405631;OCC(CF)CC=CCF;APADGCOWBHAFAB-UHFFFAOYSA-N;150.17;1.48;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_C4";;;;;;;1.37;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM405632;MM405632;C#CC(=CC=NN=C)CO;JUCXJOYYWHCXIA-UHFFFAOYSA-N;136.15;0.22;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda_N0";;;;;;;1.17;;-1.13;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM405633;MM405633;NCC=CCC(CF)CF;ZYPZRLXRDWCSCH-UHFFFAOYSA-N;149.18;1.45;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_Na";;;;;;;0.87;;-4.13;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM405634;MM405634;C#CC(=CC=NN=C)CF;BGQREVDUWXIBGY-UHFFFAOYSA-N;138.15;1.2;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_N0";;;;;;;1.94;;0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM405635;MM405635;CCC(CN)CC=COC;GXXLQOPUGDZYML-UHFFFAOYSA-N;143.23;1.52;;;;;DOPC;MDCG;27;1;"MARTINI bead: C5_Na";;;;;;;1.64;;-2.73;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM405636;MM405636;C#CC(=CC=CC=O)OC;RIMVJYSIIDHCDX-UHFFFAOYSA-N;136.15;0.91;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_Na";;;;;;;0.87;;-2.22;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM405637;MM405637;CCC(CF)CC=COC;KWDKREPYHICIBA-UHFFFAOYSA-N;146.21;2.53;;;;;DOPC;MDCG;27;0;"MARTINI bead: C2_Na";;;;;;;2.83;;0.35;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM405638;MM405638;C#CC(=CC=CC#N)OC;HWXSCOJKHWZABL-UHFFFAOYSA-N;133.15;1.23;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_N0";;;;;;;1.17;;-1.18;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM405639;MM405639;COC=CCC(CN)CN;MXPNRUWOJVKFQA-UHFFFAOYSA-N;144.22;0.07;;;;;DOPC;MDCG;27;1;"MARTINI bead: C5_P3";;;;;;;-0.33;;-4.71;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM405640;MM405640;C#CC(=CC=NN=C)OC;PAVPXDVCUNSHMO-UHFFFAOYSA-N;136.15;0.84;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_N0";;;;;;;1.17;;-1.18;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM405641;MM405641;COC=CCC(CN)CO;PYMOOGDXFQJWAG-UHFFFAOYSA-N;145.2;0.1;;;;;DOPC;MDCG;27;1;"MARTINI bead: Na_P2";;;;;;;-0.24;;-5.66;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM405642;MM405642;C#CC(CC)=NN=CC=C;NJHVEANQGWJRIB-UHFFFAOYSA-N;134.18;1.64;;;;;DOPC;MDCG;27;0;"MARTINI bead: N0_C3";;;;;;;2.87;;0.37;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM405643;MM405643;COC=CCC(CN)CF;LSYAIIUWRBUYFH-UHFFFAOYSA-N;147.19;1.08;;;;;DOPC;MDCG;27;1;"MARTINI bead: C5_P1";;;;;;;0.81;;-3.2;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM405644;MM405644;C#CC(CC)=NN=CC=O;PPNCFXWHXITALM-UHFFFAOYSA-N;136.15;0.66;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_C3";;;;;;;1.74;;0.29;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM405645;MM405645;CCC(CN)CC=NNC;BWCSPBKICHZTPP-UHFFFAOYSA-N;143.23;0.57;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_Nd";;;;;;;0.87;;-4.92;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM405646;MM405646;C#CC(CC)=NN=CC#N;KWOIDWDKADTXNK-UHFFFAOYSA-N;133.15;0.98;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_C5";;;;;;;2.41;;0.64;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM405647;MM405647;C#CC1=CC(O)(CC)CC1;PHOSXXCBBKBWTN-UHFFFAOYSA-N;136.19;1.48;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC5_SC5";;;;;;;2.41;;0.64;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM405648;MM405648;C#CC(CO)=NN=CC=C;XPPXRWKJIGVASX-UHFFFAOYSA-N;136.15;0.22;;;;;DOPC;MDCG;27;0;"MARTINI bead: N0_Nda";;;;;;;1.17;;-1.13;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM405649;MM405649;CCC(CF)CC=NNC;ISYNGBKTJOIYMW-UHFFFAOYSA-N;146.21;1.58;;;;;DOPC;MDCG;27;0;"MARTINI bead: C2_P2";;;;;;;1.72;;0.27;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM405650;MM405650;C#CC(=NN=CC=C)OC;UHEVTNSKZJNAAF-UHFFFAOYSA-N;136.15;0.84;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_N0";;;;;;;1.17;;-1.18;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM405651;MM405651;CCC(CC)CC=NOC;BKPAJSPAMOJIMQ-UHFFFAOYSA-N;143.23;2.44;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1_Na";;;;;;;2.91;;0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM405652;MM405652;C#CC(=NN=CC=O)OC;UXBGMKWZHWCBDZ-UHFFFAOYSA-N;138.13;-0.15;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_Na";;;;;;;0.87;;-2.22;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM405653;MM405653;CCC(CN)CC=NOC;DWRJMFROHAXLEC-UHFFFAOYSA-N;144.22;0.99;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_Na";;;;;;;0.87;;-4.68;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM405654;MM405654;C#CC(=NN=CC#N)OC;ZVFOBPQBKJWFLU-UHFFFAOYSA-N;135.13;0.17;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_P1";;;;;;;0.81;;-0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM405655;MM405655;CCC(O)C(C)C=CC#N;VOSFKJTVNFUFPS-UHFFFAOYSA-N;139.2;1.47;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda_C5";;;;;;;1.64;;0.05;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM405656;MM405656;C#CC=CC=C(C#C)CC;LECYDGHFMLUTAL-UHFFFAOYSA-N;130.19;2.15;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4_N0";;;;;;;2.5;;0.44;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM405657;MM405657;CON=CCC(CN)CN;MIPAKOPATARWHA-UHFFFAOYSA-N;145.21;-0.46;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1_P2";;;;;;;-1.06;;-6.56;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM405658;MM405658;C#CC=CC=C(C#C)CN;JYNBKVOMCZOHDL-UHFFFAOYSA-N;131.18;0.69;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_N0";;;;;;;1.17;;-2.81;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM405659;MM405659;C#CC(=C)CNN=COC;WYVWZUUQRBRIIK-UHFFFAOYSA-N;138.17;0.36;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_N0";;;;;;;0.34;;-1.53;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM405660;MM405660;C#CC=CC=C(C#C)CO;OWIRKTMXRMXCNR-UHFFFAOYSA-N;132.16;0.73;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda_N0";;;;;;;1.17;;-1.13;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM405661;MM405661;CON=CCC(CF)CF;RDVOKRLGDJXGEK-UHFFFAOYSA-N;151.16;1.56;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_Na";;;;;;;0.87;;-2.22;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM405662;MM405662;C#CC=CC=C(C#C)CF;WYOCZTPCISMOAK-UHFFFAOYSA-N;134.15;1.7;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_N0";;;;;;;1.94;;0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM405663;MM405663;CCC=CCC(CC)NC;QZHYJCKGRXMWBL-UHFFFAOYSA-N;141.26;2.34;;;;;DOPC;MDCG;27;1;"MARTINI bead: C1_Nd";;;;;;;2.91;;-0.98;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM405664;MM405664;C#CC=CC=C(C#C)OC;UDKNXHAIBWSMFW-UHFFFAOYSA-N;132.16;1.34;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_N0";;;;;;;1.17;;-1.18;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM405665;MM405665;CCC(CC=CCN)NC;CBXGBMIGERDKMO-UHFFFAOYSA-N;142.25;0.89;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_Nd";;;;;;;0.87;;-5.41;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM405666;MM405666;C#CC=NN=C(C#C)CC;QJQRDARPCQEBHC-UHFFFAOYSA-N;132.17;1.09;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_C3";;;;;;;1.74;;0.29;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM405667;MM405667;CCC(CC=CCO)NC;JHRULXVAIRLZGM-UHFFFAOYSA-N;143.23;0.92;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_Nda";;;;;;;0.87;;-5.17;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM405668;MM405668;CCC(CC=CCF)NC;PNQUQOZEHHINCW-UHFFFAOYSA-N;145.22;1.9;;;;;DOPC;MDCG;27;1;"MARTINI bead: C5_Na";;;;;;;1.64;;-3.18;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM405669;MM405669;C#CC=NN=C(C#C)OC;OQWJTYIIGQNOEN-UHFFFAOYSA-N;134.14;0.28;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_P1";;;;;;;0.81;;-0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM405670;MM405670;CNC(CN)CC=CCO;PINLRPUFQANJHW-UHFFFAOYSA-N;144.22;-0.53;;;;;DOPC;MDCG;27;1;"MARTINI bead: P2_Nda";;;;;;;-0.24;;-6.04;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM405671;MM405671;C=CC(C=C)=CC=CCC;ZQPGGXLVWXQXJA-UHFFFAOYSA-N;134.22;3.25;;;;;DOPC;MDCG;27;0;"MARTINI bead: C3_C2";;;;;;;4.53;;0.32;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM405672;MM405672;CNC(CN)CC=CCF;DMUYOOYWIQNCTO-UHFFFAOYSA-N;146.21;0.45;;;;;DOPC;MDCG;27;1;"MARTINI bead: P3_C4";;;;;;;0.23;;-3.73;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM405673;MM405673;C=CC(C=C)=CC=CCF;KKTRWHVVGGITCW-UHFFFAOYSA-N;138.19;2.81;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_C2";;;;;;;2.83;;0.35;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM405674;MM405674;CNC(CO)CC=CCN;HDEFMFHUXJDLAP-UHFFFAOYSA-N;144.22;-0.53;;;;;DOPC;MDCG;27;1;"MARTINI bead: P2_Nd";;;;;;;-0.24;;-5.85;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM405675;MM405675;C=CC(C=O)=CC=CCC;XCGTZJDXHKILSK-UHFFFAOYSA-N;136.19;2.26;;;;;DOPC;MDCG;27;0;"MARTINI bead: C3_Na";;;;;;;2.57;;0.45;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM405676;MM405676;CNC(CO)CC=CCO;CXBOBUFIDPISDO-UHFFFAOYSA-N;145.2;-0.49;;;;;DOPC;MDCG;27;1;"MARTINI bead: P2_Nda";;;;;;;-0.24;;-5.82;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM405677;MM405677;C=CC(C#N)=CC=CCC;LGJGIGJAQHWDAN-UHFFFAOYSA-N;133.19;2.59;;;;;DOPC;MDCG;27;0;"MARTINI bead: C3_C5";;;;;;;3.34;;0.48;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM405678;MM405678;CNC(CF)CC=CCF;PZWMFEZUVUXPCZ-UHFFFAOYSA-N;149.18;1.46;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1_C4";;;;;;;1.37;;-1.51;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM405679;MM405679;C=CC(C=O)=CC=CCO;NSIHJYAZBCKSGV-UHFFFAOYSA-N;138.17;0.85;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda_Na";;;;;;;0.87;;-1.99;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM405680;MM405680;CCC(CC=COC)NC;RNJYAJBBQRVGPS-UHFFFAOYSA-N;143.23;1.53;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_C5";;;;;;;1.64;;-3.15;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM405681;MM405681;C=CC(C#N)=CC=CCO;GNYMSSWCSKFFMI-UHFFFAOYSA-N;135.17;1.17;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda_N0";;;;;;;1.17;;-1.13;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM405682;MM405682;CCC(CC=NNC)NC;UBYXRLZLLKIPJW-UHFFFAOYSA-N;143.23;0.58;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_Nd";;;;;;;0.87;;-4.89;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM405683;MM405683;C=CC(C=O)=CC=CCF;BVNLARRXMGDLRR-UHFFFAOYSA-N;140.16;1.82;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_Na";;;;;;;0.87;;-2.22;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM405684;MM405684;CCC(CC=NOC)NC;RHOJCAMDTMQGGC-UHFFFAOYSA-N;144.22;1.01;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_Na";;;;;;;0.87;;-4.65;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM405685;MM405685;CCC=CC=C(C=O)C=O;NEAGIUVYRZIUAB-UHFFFAOYSA-N;138.17;1.28;;;;;DOPC;MDCG;27;0;"MARTINI bead: C3_Na";;;;;;;2.57;;0.45;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM405686;MM405686;CNC(CN)CC=NOC;KBHDZEVWAXUYBJ-UHFFFAOYSA-N;145.21;-0.44;;;;;DOPC;MDCG;27;1;"MARTINI bead: P3_Na";;;;;;;-1.1;;-6.36;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM405687;MM405687;CCC=CC=C(C#N)C#N;KSUUHWABBHANPY-UHFFFAOYSA-N;132.17;1.93;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1_P2";;;;;;;1.8;;0.4;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM405688;MM405688;CNC(CO)CC=NOC;GHBRLQMYGVCIKL-UHFFFAOYSA-N;146.19;-0.41;;;;;DOPC;MDCG;27;1;"MARTINI bead: P2_Na";;;;;;;-0.24;;-5.27;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM405689;MM405689;N#CC(C=O)=CC=CCF;KKANSJHYFNULRZ-UHFFFAOYSA-N;139.13;1.16;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_Na";;;;;;;0.87;;-2.22;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM405690;MM405690;CCC=CCC(CC)OC;PLZTZFQRXSGPID-UHFFFAOYSA-N;142.24;2.77;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1_Na";;;;;;;2.91;;0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM405691;MM405691;N#CC(C#N)=CC=CCF;MHEWZQSVCCEVMQ-UHFFFAOYSA-N;136.13;1.49;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_N0";;;;;;;1.17;;-1.18;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM405692;MM405692;CCC(CC=CCN)OC;WDWRUQLQSPPFIH-UHFFFAOYSA-N;143.23;1.32;;;;;DOPC;MDCG;27;1;"MARTINI bead: C4_P1";;;;;;;1.37;;-2.18;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM405693;MM405693;C=CC(C#N)=CC=COC;UXTVNPYPEYNAGU-UHFFFAOYSA-N;135.17;1.78;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_C5";;;;;;;1.64;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM405694;MM405694;CCC(CC=CCF)OC;NUEDAUXATTXDAY-UHFFFAOYSA-N;146.21;2.33;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_C4";;;;;;;2.2;;0.34;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM405695;MM405695;COC=CC=C(C=O)C=O;NVTVUSKNDMCYHR-UHFFFAOYSA-N;140.14;0.47;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_Na";;;;;;;0.87;;-2.22;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM405696;MM405696;CCC=CCC(CN)OC;ASTSEQLAMZNJHT-UHFFFAOYSA-N;143.23;1.32;;;;;DOPC;MDCG;27;1;"MARTINI bead: C1_P2";;;;;;;1.8;;-0.96;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM405697;MM405697;COC=CC=C(C#N)C=O;BSEVGDMPFGUWPW-UHFFFAOYSA-N;137.14;0.8;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_Na";;;;;;;0.87;;-2.22;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM405698;MM405698;COC(CN)CC=CCN;QTXXISOYORNFEG-UHFFFAOYSA-N;144.22;-0.13;;;;;DOPC;MDCG;27;1;"MARTINI bead: P2_Nd";;;;;;;-0.24;;-5.61;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM405699;MM405699;COC=CC=C(C#N)C#N;MALUIHGUZRXIGV-UHFFFAOYSA-N;134.14;1.12;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_N0";;;;;;;1.17;;-1.18;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM405700;MM405700;COC(CO)CC=CCN;PBOMEFYJNJWAFK-UHFFFAOYSA-N;145.2;-0.1;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nda_P1";;;;;;;0.04;;-4.96;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM405701;MM405701;C=CC(C=C)=CC=NNC;FDFDMCZTWMHFLJ-UHFFFAOYSA-N;136.2;1.49;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_C2";;;;;;;1.72;;0.28;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM405702;MM405702;COC(CO)CC=CCO;IIMBBQZGNNIHGH-UHFFFAOYSA-N;146.19;-0.07;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_Nda";;;;;;;0.04;;-2.73;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM405703;MM405703;C=CC(C#N)=CC=NNC;RDJADAMVQNZSIC-UHFFFAOYSA-N;135.17;0.83;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_C5";;;;;;;0.54;;-1.09;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM405704;MM405704;COC(CF)CC=CCF;MRTUHLMJZFXWIH-UHFFFAOYSA-N;150.17;1.89;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_C4";;;;;;;2.2;;0.34;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM405705;MM405705;CNN=CC=C(C#N)C=O;GKIYDEKIKLSUHY-UHFFFAOYSA-N;137.14;-0.16;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nd_Na";;;;;;;0.87;;-1.88;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM405706;MM405706;CCC(CC=COC)OC;JMXQQZSQCQTLDD-UHFFFAOYSA-N;144.21;1.96;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_C5";;;;;;;1.64;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM405707;MM405707;C=CC(C=C)=CC=NOC;AGROWWFJXUJFFX-UHFFFAOYSA-N;137.18;1.92;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_C2";;;;;;;2;;0.3;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM405708;MM405708;COC=CCC(CO)OC;NBKYZMZQFXJWBY-UHFFFAOYSA-N;146.19;0.54;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_P2";;;;;;;0.54;;-1.09;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM405709;MM405709;C=CC(C#N)=CC=NOC;OFZIIUBSZOARPB-UHFFFAOYSA-N;136.15;1.25;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_C5";;;;;;;0.81;;-0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM405710;MM405710;CCC(CC=NNC)OC;LUVLZBDCHBUKGE-UHFFFAOYSA-N;144.22;1.01;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_Nd";;;;;;;0.87;;-1.88;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM405711;MM405711;CON=CC=C(C#N)C#N;APCAXGGDKBDEMM-UHFFFAOYSA-N;135.13;0.59;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_N0";;;;;;;0.34;;-1.53;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM405712;MM405712;CNN=CCC(CN)OC;UZHHCSOSOSAORM-UHFFFAOYSA-N;145.21;-0.44;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_P2";;;;;;;-0.24;;-5.22;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM405713;MM405713;C=CC(C=C)=NN=CCC;MFAJMKMIXOUVDV-UHFFFAOYSA-N;136.2;2.2;;;;;DOPC;MDCG;27;0;"MARTINI bead: N0_N0";;;;;;;1.47;;-0.05;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM405714;MM405714;N#CCC(C=O)NCCF;JLDBQCPCYBVFQP-UHFFFAOYSA-N;144.15;0.03;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_Na";;;;;;;-0.24;;-3.24;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM405715;MM405715;C=CC(C=C)=NN=CCO;LBUOCKDSOMATQH-UHFFFAOYSA-N;138.17;0.78;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_C2";;;;;;;1.72;;0.27;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM405716;MM405716;COC(CC=CCF)OC;FKOABTSMMGWYHS-UHFFFAOYSA-N;148.18;1.52;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_C4";;;;;;;1.37;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM405717;MM405717;CC#CCOC=NNC;YGOTWTMWMIQKLE-UHFFFAOYSA-N;126.16;0.19;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_C4";;;;;;;1.09;;-0.38;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM405718;MM405718;COC=CCC(OC)OC;WMKRNOJJFCUBCY-UHFFFAOYSA-N;146.19;1.16;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_Na";;;;;;;0.87;;-2.22;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM405719;MM405719;C=CC(C=O)=NN=CCF;FZTMFQNXPYCDFO-UHFFFAOYSA-N;142.13;0.77;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_Na";;;;;;;1.64;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM405720;MM405720;CCN=CNC(CC)CC;GPIFHVQOSWBQFX-UHFFFAOYSA-N;142.25;1.81;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_C1";;;;;;;2.91;;-1.03;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM405721;MM405721;CCC=NN=C(C#N)C=O;UWBJCRHHIKYLJG-UHFFFAOYSA-N;137.14;0.55;;;;;DOPC;MDCG;27;0;"MARTINI bead: C2_P2";;;;;;;1.72;;0.27;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM405722;MM405722;CCN=CNC(CC)CN;GCQVUIXGJLCKEU-UHFFFAOYSA-N;143.23;0.36;;;;;DOPC;MDCG;27;1;"MARTINI bead: C5_P2";;;;;;;0.54;;-4.07;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM405723;MM405723;CCC=NN=C(C#N)C#N;ITBSEYFMWUGTFK-UHFFFAOYSA-N;134.14;0.87;;;;;DOPC;MDCG;27;0;"MARTINI bead: C2_P2";;;;;;;1.72;;0.27;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM405724;MM405724;CCN=CNC(CC)CO;TWNDTGGCPDQSEH-UHFFFAOYSA-N;144.22;0.4;;;;;DOPC;MDCG;27;1;"MARTINI bead: P2_C5";;;;;;;0.54;;-3.81;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM405725;MM405725;N#CC(C=O)=NN=CCF;ZLPFYVVVIWHBDR-UHFFFAOYSA-N;141.11;0.11;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_P1";;;;;;;0.81;;-0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM405726;MM405726;CCN=CNC(CC)CF;IHKKDNZSHSFKTQ-UHFFFAOYSA-N;146.21;1.37;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_C4";;;;;;;2.2;;-2.05;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM405727;MM405727;N#CC(C#N)=NN=CCF;XPGOVWKDLPKBRN-UHFFFAOYSA-N;138.11;0.43;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_P1";;;;;;;0.81;;-0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM405728;MM405728;CCN=CNC(CN)CN;KPRZOPDRVJGVNB-UHFFFAOYSA-N;144.22;-1.09;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_P3";;;;;;;-1.1;;-6.6;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM405729;MM405729;C=CC(C=C)=NN=COC;QBIITQYZTJFCMO-UHFFFAOYSA-N;138.17;1.39;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_C2";;;;;;;2;;0.29;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM405730;MM405730;CCN=CNC(CN)CF;SSIILLCUTILGAH-UHFFFAOYSA-N;147.2;-0.08;;;;;DOPC;MDCG;27;1;"MARTINI bead: C5_P4";;;;;;;-0.41;;-5.01;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM405731;MM405731;COC=NN=C(C#N)C=O;ZDZNYFDKUFRODF-UHFFFAOYSA-N;139.11;-0.26;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_P2";;;;;;;0.54;;-1.09;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM405732;MM405732;CCN=CNC(CO)CO;WWOCNADCIDECEQ-UHFFFAOYSA-N;146.19;-1.02;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_P3";;;;;;;-1.1;;-6.09;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM405733;MM405733;COC=NN=C(C#N)C#N;SVHFHMAIMANSQB-UHFFFAOYSA-N;136.11;0.06;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_P2";;;;;;;0.54;;-1.09;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM405734;MM405734;CCN=CNC(CO)CF;FJTTUZRKTGOMNO-UHFFFAOYSA-N;148.18;-0.05;;;;;DOPC;MDCG;27;1;"MARTINI bead: C5_P3";;;;;;;-0.33;;-4.04;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM405735;MM405735;C=CC(C=C)=CC=CC=O;BGQWRKQNIWPFOO-UHFFFAOYSA-N;134.18;2.04;;;;;DOPC;MDCG;27;0;"MARTINI bead: C2_Na";;;;;;;2.83;;0.35;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM405736;MM405736;CCC(CC)N=CNNC;VBRNKTSEJZOMKR-UHFFFAOYSA-N;143.23;0.93;;;;;DOPC;MDCG;27;1;"MARTINI bead: C5_P2";;;;;;;0.54;;-2.79;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM405737;MM405737;C=CC(C=C)=CC=CC#N;YESJMLPSPJUZFZ-UHFFFAOYSA-N;131.18;2.36;;;;;DOPC;MDCG;27;0;"MARTINI bead: C2_N0";;;;;;;3.13;;0.3;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM405738;MM405738;CCC(CN)N=CNNC;UXJUAHQSXJCYFM-UHFFFAOYSA-N;144.22;-0.52;;;;;DOPC;MDCG;27;1;"MARTINI bead: P2_P2";;;;;;;-1.34;;-5.8;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM405739;MM405739;C=CC=CC=C(C#N)C=C;NFTFDTRVVCRDGP-UHFFFAOYSA-N;131.18;2.36;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4_C5";;;;;;;2.97;;0.45;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM405740;MM405740;C=CNC(C#N)=NN=CC;KEQIECOMUOTNIU-UHFFFAOYSA-N;136.16;0.65;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4_P1";;;;;;;1.37;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM405741;MM405741;C=CC(C=O)=CC=CC=O;IHMQREFYICIIIR-UHFFFAOYSA-N;136.15;1.05;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_Na";;;;;;;0.87;;-2.22;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM405742;MM405742;CCC=NNC(CC)CC;BTSHDNXAIJKCFK-UHFFFAOYSA-N;142.25;2.16;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nd_C1";;;;;;;2.91;;0.64;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM405743;MM405743;C=CC(C=O)=CC=CC#N;IKPSACKPIKDRTA-UHFFFAOYSA-N;133.15;1.38;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_N0";;;;;;;1.17;;-1.18;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM405744;MM405744;CCNN=c1onc(C)o1;PGHULXHNMSFRAP-UHFFFAOYSA-N;143.15;;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_SP2";;;;;;;-1.06;;-3.82;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM405745;MM405745;C=CC(C#N)=CC=CC#N;SUCAVIAKLBSXEQ-UHFFFAOYSA-N;130.15;1.7;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_N0";;;;;;;1.94;;0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM405746;MM405746;CCC=NNC(CC)CN;FKUGMWGFVCERKU-UHFFFAOYSA-N;143.23;0.71;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_Nd";;;;;;;0.87;;-3.75;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM405747;MM405747;N#CC=CC=C(C=O)C=O;UXHNDHXNUXDXAH-UHFFFAOYSA-N;135.12;0.39;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_N0";;;;;;;1.17;;-1.18;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM405748;MM405748;CCC(CN)NN=CCN;QVYIIYRGEBUIGB-UHFFFAOYSA-N;144.22;-0.74;;;;;DOPC;MDCG;27;1;"MARTINI bead: C5_P3";;;;;;;-0.33;;-3.68;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM405749;MM405749;N#CC(C=O)=CC=CC=O;VWPFCGFPOBYBID-UHFFFAOYSA-N;135.12;0.39;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_Na";;;;;;;0.87;;-2.22;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM405750;MM405750;CCC(CN)NN=CCO;LUSVBGNOOCYTJL-UHFFFAOYSA-N;145.21;-0.71;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_P2";;;;;;;-0.24;;-4.79;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM405751;MM405751;N#CC=CC=C(C#N)C#N;DEYDQEFLILCYPX-UHFFFAOYSA-N;129.12;1.04;;;;;DOPC;MDCG;27;0;"MARTINI bead: N0_P2";;;;;;;0.06;;-2.21;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM405752;MM405752;CC#CC(F)C(C#N)NC;WIJPTMDWABMARG-UHFFFAOYSA-N;140.16;0.46;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_C5";;;;;;;0.54;;-1.09;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM405753;MM405753;C=CC(C=C)=CC=NN=C;UEQZCMGXXKQIBK-UHFFFAOYSA-N;134.18;1.97;;;;;DOPC;MDCG;27;0;"MARTINI bead: C2_N0";;;;;;;3.13;;0.3;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM405754;MM405754;Cc1nc(=NN)onc1N;ZKCQXNHASORTQD-UHFFFAOYSA-N;141.13;-1.27;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP2_SP3";;;;;;;-2.2;;-5.19;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM405755;MM405755;C=CC(C=O)=CC=NN=C;WHONCQFKAOJHSC-UHFFFAOYSA-N;136.15;0.98;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_N0";;;;;;;1.17;;-1.18;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM405756;MM405756;CCC=NNC(CC)CF;SICUPCKPHWRRAK-UHFFFAOYSA-N;146.21;1.72;;;;;DOPC;MDCG;27;0;"MARTINI bead: N0_Nda";;;;;;;1.17;;-1.13;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM405757;MM405757;C=CC(C#N)=CC=NN=C;WKHAZUXXSCMISC-UHFFFAOYSA-N;133.15;1.31;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_N0";;;;;;;1.94;;0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM405758;MM405758;NCC(CN)NN=CCO;NKQRXWBRJKOIEX-UHFFFAOYSA-N;146.19;-2.16;;;;;DOPC;MDCG;27;1;"MARTINI bead: P3_P2";;;;;;;-2.2;;-6.78;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM405759;MM405759;C=NN=CC=C(C=O)C=O;USTRQFCXLMLFAX-UHFFFAOYSA-N;138.13;;;;;;DOPC;MDCG;27;0;"MARTINI bead: N0_Na";;;;;;;1.17;;-1.18;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM405760;MM405760;NCC=NNC(CN)CO;NSPVJZMDVZSEMD-UHFFFAOYSA-N;146.19;-2.16;;;;;DOPC;MDCG;27;1;"MARTINI bead: P3_P2";;;;;;;-2.2;;-6.56;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM405761;MM405761;C=NN=CC=C(C#N)C=O;UNVXVTNPKPCAGK-UHFFFAOYSA-N;135.13;0.32;;;;;DOPC;MDCG;27;0;"MARTINI bead: N0_Na";;;;;;;1.17;;-1.18;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM405762;MM405762;NCC(CO)NN=CCO;AIBZOWSNYTZCPU-UHFFFAOYSA-N;147.18;-2.13;;;;;DOPC;MDCG;27;1;"MARTINI bead: P2_P2";;;;;;;-1.34;;-5.58;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM405763;MM405763;C=NN=CC=C(C#N)C#N;RKIBUGVRHAXZLU-UHFFFAOYSA-N;132.13;0.65;;;;;DOPC;MDCG;27;0;"MARTINI bead: N0_N0";;;;;;;1.47;;-0.05;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM405764;MM405764;CNc1c[nH]c(C(C)C)c1;IIRSERWIRWGORK-UHFFFAOYSA-N;138.21;2.18;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNd_SC4";;;;;;;2.2;;0.32;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM405765;MM405765;C=CC=NN=C(C=C)C=C;BBXFYCTVEJDUGS-UHFFFAOYSA-N;134.18;1.97;;;;;DOPC;MDCG;27;0;"MARTINI bead: N0_C2";;;;;;;3.13;;0.3;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM405766;MM405766;C#CC1=CC(=NN=C)CC1;FRPXLCLUBCSCOO-UHFFFAOYSA-N;132.17;1.4;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC5_SC5";;;;;;;2.41;;0.64;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM405767;MM405767;C=CC=NN=C(C=C)C=O;JJZKAXJDKFIEDT-UHFFFAOYSA-N;136.15;0.98;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4_N0";;;;;;;2.5;;0.44;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM405768;MM405768;CCC(O)CC1CC1CC;ZQYMVJNZFJMURL-UHFFFAOYSA-N;142.24;2.19;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda_SC3";;;;;;;2.57;;0.44;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM405769;MM405769;C=CC=NN=C(C#N)C=C;UHKYIVCTIJUTDZ-UHFFFAOYSA-N;133.15;1.31;;;;;DOPC;MDCG;27;0;"MARTINI bead: N0_N0";;;;;;;1.47;;-0.05;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM405770;MM405770;CCC=COC(CC)CC;YQXUSZYBNBNYGN-UHFFFAOYSA-N;142.24;3.12;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_C1";;;;;;;3.68;;0.46;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM405771;MM405771;C=CC(C=O)=NN=CC=O;JPKXRJLQXYWXOU-UHFFFAOYSA-N;138.13;;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_C4";;;;;;;1.09;;-0.38;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM405772;MM405772;CCC(CC)OC=CCN;BTOBVIMYKAGCCM-UHFFFAOYSA-N;143.23;1.66;;;;;DOPC;MDCG;27;1;"MARTINI bead: C1_P2";;;;;;;1.8;;-1.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM405773;MM405773;C=CC(C#N)=NN=CC=O;WMVNCXDJBBVXRZ-UHFFFAOYSA-N;135.13;0.32;;;;;DOPC;MDCG;27;0;"MARTINI bead: N0_Na";;;;;;;1.17;;-1.18;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM405774;MM405774;CCC(CC)OC=CCO;FUHVWPKYTILFMS-UHFFFAOYSA-N;144.21;1.7;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_Nda";;;;;;;1.64;;0.05;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM405775;MM405775;C=CC(C#N)=NN=CC#N;VOEXORFMIDOMQX-UHFFFAOYSA-N;132.13;0.65;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4_P2";;;;;;;1.09;;-0.37;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM405776;MM405776;CCC=COC(CC)CN;AMYIRLYIGREMKI-UHFFFAOYSA-N;143.23;1.66;;;;;DOPC;MDCG;27;1;"MARTINI bead: C3_P1";;;;;;;1.74;;-1.4;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM405777;MM405777;C=CC=NN=C(C=O)C=O;IJQBVNLYQSTATG-UHFFFAOYSA-N;138.13;;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4_P2";;;;;;;1.09;;-0.38;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM405778;MM405778;CCC(CN)OC=CCF;XPLDFVJTSJWWIJ-UHFFFAOYSA-N;147.19;1.22;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_Na";;;;;;;0.87;;-3.95;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM405779;MM405779;C=CC=NN=C(C#N)C=O;IQCWNDWLJJUHMQ-UHFFFAOYSA-N;135.13;0.32;;;;;DOPC;MDCG;27;0;"MARTINI bead: N0_Na";;;;;;;1.17;;-1.18;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM405780;MM405780;CCC=COC(CC)CO;IBEYNZYVIDNWNR-UHFFFAOYSA-N;144.21;1.7;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_Nda";;;;;;;1.64;;0.05;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM405781;MM405781;C=CC=NN=C(C#N)C#N;TVRRPYRQNRRJSB-UHFFFAOYSA-N;132.13;0.65;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4_P2";;;;;;;1.09;;-0.38;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM405782;MM405782;CCC(CO)OC=CCO;YLMCGTSWUTYJCN-UHFFFAOYSA-N;146.19;0.28;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_P2";;;;;;;0.54;;-1.09;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM405783;MM405783;N#CC=NN=C(C=O)C=O;OBOZQBUSZYBAEC-UHFFFAOYSA-N;137.1;-0.67;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_C5";;;;;;;0.54;;-1.09;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM405784;MM405784;NCC=COC(CN)CO;AWLDRMUDRXDEGH-UHFFFAOYSA-N;146.19;-1.21;;;;;DOPC;MDCG;27;1;"MARTINI bead: P2_P2";;;;;;;-1.34;;-6.61;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM405785;MM405785;N#CC(C=O)=NN=CC=O;IHYSJUSIYIXGBV-UHFFFAOYSA-N;137.1;-0.67;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_P2";;;;;;;0.54;;-1.09;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM405786;MM405786;NCC(CO)OC=CCO;NTVIKYMLXFGMLO-UHFFFAOYSA-N;147.17;-1.17;;;;;DOPC;MDCG;27;1;"MARTINI bead: P4_Nda";;;;;;;-1.19;;-6.53;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM405787;MM405787;N#CC=NN=C(C#N)C=O;NLUBHUCJBYWPJC-UHFFFAOYSA-N;134.1;-0.34;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_P2";;;;;;;0.54;;-1.09;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM405788;MM405788;CCC=COC(CN)CF;ORBLLBQMJOQEFN-UHFFFAOYSA-N;147.19;1.22;;;;;DOPC;MDCG;27;1;"MARTINI bead: C5_P1";;;;;;;0.81;;-2.47;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM405789;MM405789;N#CC(C#N)=NN=CC=O;BZXNXLIJQVBKQF-UHFFFAOYSA-N;134.1;-0.34;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_P2";;;;;;;0.54;;-1.09;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM405790;MM405790;CCC=COC(CO)CO;PISGLWJRMKKLFA-UHFFFAOYSA-N;146.19;0.28;;;;;DOPC;MDCG;27;0;"MARTINI bead: C3_P4";;;;;;;0.52;;-1.59;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM405791;MM405791;C#CC=CC=C(C=C)C=C;WBUSSDIBGHFWTG-UHFFFAOYSA-N;130.19;2.47;;;;;DOPC;MDCG;27;0;"MARTINI bead: C2_N0";;;;;;;3.13;;0.3;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM405792;MM405792;OCC=COC(CO)CO;XAOJSTPCMDBYQJ-UHFFFAOYSA-N;148.16;-1.14;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda_P4";;;;;;;-1.19;;-4.91;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM405793;MM405793;C#CC=CC=C(C=C)C=O;YDXZWRCWNQILOL-UHFFFAOYSA-N;132.16;1.49;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_N0";;;;;;;1.17;;-1.18;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM405794;MM405794;CCC(CC)OC=COC;ZHNOOZNYBOZWRS-UHFFFAOYSA-N;144.21;2.31;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_Na";;;;;;;1.64;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM405795;MM405795;C#CC=CC=C(C#N)C=C;VLLWFOVQXDSPKF-UHFFFAOYSA-N;129.16;1.81;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_N0";;;;;;;1.94;;0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM405796;MM405796;CCC(CO)OC=COC;WFTVUWZTENPYSO-UHFFFAOYSA-N;146.19;0.89;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_P1";;;;;;;0.81;;-0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM405797;MM405797;C#CC=CC=C(C=O)C=O;NELKQASGGQUOGY-UHFFFAOYSA-N;134.13;0.5;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_N0";;;;;;;1.17;;-1.18;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM405798;MM405798;CCC(CF)OC=COC;LFJUZYKIPUKEKT-UHFFFAOYSA-N;148.18;1.87;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4_P1";;;;;;;1.37;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM405799;MM405799;C#CC=CC=C(C#N)C=O;TUYXAVJNCIMJAI-UHFFFAOYSA-N;131.13;0.82;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_N0";;;;;;;1.17;;-1.18;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM405800;MM405800;CCC(CN)OC=NNC;HTPKKYNWIPINEQ-UHFFFAOYSA-N;145.21;-0.1;;;;;DOPC;MDCG;27;1;"MARTINI bead: C5_P2";;;;;;;0.54;;-2.95;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM405801;MM405801;C#CC=NN=C(C=C)C=C;ZLUXNIHRKGJOAQ-UHFFFAOYSA-N;132.17;1.42;;;;;DOPC;MDCG;27;0;"MARTINI bead: N0_C4";;;;;;;2.5;;0.44;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM405802;MM405802;CCC(CF)OC=NOC;GIXYAFYOJBBCAN-UHFFFAOYSA-N;149.17;1.34;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4_P2";;;;;;;1.09;;-0.38;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM405803;MM405803;C#CC=NN=C(C#N)C=O;USQKVLPGTKJYIL-UHFFFAOYSA-N;133.11;-0.23;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_C5";;;;;;;0.54;;-1.09;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM405804;MM405804;CON=COC(CN)CO;WFUCDRAMZQBVCV-UHFFFAOYSA-N;148.16;-1.09;;;;;DOPC;MDCG;27;1;"MARTINI bead: P2_P2";;;;;;;-1.34;;-5.99;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM405805;MM405805;C#CC(C=C)=CC=CCC;BNORLEHQFCFHTJ-UHFFFAOYSA-N;132.21;2.7;;;;;DOPC;MDCG;27;0;"MARTINI bead: C3_C4";;;;;;;3.9;;0.47;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM405806;MM405806;CON=COC(CF)CF;GPZPWTNGDYNQAL-UHFFFAOYSA-N;153.13;0.9;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_Na";;;;;;;0.87;;-2.22;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM405807;MM405807;C#CC(C=C)=CC=CCN;NONGXFMDTNUNEC-UHFFFAOYSA-N;133.19;1.25;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1_C4";;;;;;;1.37;;-2.17;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM405808;MM405808;CCC=COC(CC)OC;TUGXCDQPXZCHSN-UHFFFAOYSA-N;144.21;2.31;;;;;DOPC;MDCG;27;0;"MARTINI bead: C3_Na";;;;;;;2.57;;0.45;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM405809;MM405809;C#CC(C=O)=CC=CCC;XTNVWXWYVKTGMR-UHFFFAOYSA-N;134.18;1.71;;;;;DOPC;MDCG;27;0;"MARTINI bead: C3_Na";;;;;;;2.57;;0.45;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM405810;MM405810;COC(CN)OC=CCN;COTRKESAOMBNRJ-UHFFFAOYSA-N;146.19;-0.59;;;;;DOPC;MDCG;27;1;"MARTINI bead: P2_P2";;;;;;;-1.34;;-6.54;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM405811;MM405811;C#CC(C#N)=CC=CCC;CYKFVZWCWZHJIR-UHFFFAOYSA-N;131.18;2.04;;;;;DOPC;MDCG;27;0;"MARTINI bead: C3_N0";;;;;;;2.87;;0.37;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM405812;MM405812;COC(CN)OC=CCF;IAZUHIPXUHWRSX-UHFFFAOYSA-N;149.17;0.42;;;;;DOPC;MDCG;27;1;"MARTINI bead: P2_Na";;;;;;;-0.24;;-4.55;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM405813;MM405813;C#CC(C#N)=CC=CCF;TYOUDNVRSNOATQ-UHFFFAOYSA-N;135.14;1.6;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_N0";;;;;;;1.17;;-1.18;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM405814;MM405814;CCC=COC(CO)OC;XOZVMUJVLWLQFZ-UHFFFAOYSA-N;146.19;0.89;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_P2";;;;;;;0.54;;-1.09;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM405815;MM405815;C#CC(C=C)=CC=COC;QNPAZEGMVHMELE-UHFFFAOYSA-N;134.18;1.89;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_C4";;;;;;;2.2;;0.34;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM405816;MM405816;COC(CO)OC=CCN;GRUMHKBHZAYLFN-UHFFFAOYSA-N;147.17;-0.56;;;;;DOPC;MDCG;27;1;"MARTINI bead: P2_P1";;;;;;;-1.06;;-5.99;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM405817;MM405817;C#CC(C=O)=CC=COC;DAAJUKORNYVZLM-UHFFFAOYSA-N;136.15;0.91;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_Na";;;;;;;0.87;;-2.22;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM405818;MM405818;C=C1C(OC)=NNC1CC;PZVWKGDFIGLLGF-UHFFFAOYSA-N;140.19;0.88;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNd_SP1";;;;;;;0.04;;-2.63;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM405819;MM405819;C#CC(C=C)=CC=NNC;XTCFLOAPMJBPFD-UHFFFAOYSA-N;134.18;0.94;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_C4";;;;;;;1.09;;-0.38;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM405820;MM405820;CNN=COC(CN)OC;GEDVQFJUYJEUIU-UHFFFAOYSA-N;147.18;-0.9;;;;;DOPC;MDCG;27;1;"MARTINI bead: P2_P2";;;;;;;-1.34;;-5.41;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM405821;MM405821;C#CC(C=C)=CC=NOC;UPFMTKTXKNWIIV-UHFFFAOYSA-N;135.17;1.36;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_C4";;;;;;;1.37;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM405822;MM405822;C#Cc1c[nH]c(CC)c1N;ABDSALHHGKIDNY-UHFFFAOYSA-N;134.18;1.14;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC5_SNd";;;;;;;1.64;;0.02;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM405823;MM405823;C#CC(C#N)=CC=NOC;WCOISALTRVQJFJ-UHFFFAOYSA-N;134.14;0.7;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_N0";;;;;;;1.17;;-1.18;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM405824;MM405824;CCC(OC)OC=NOC;SRKRBKUADGAIJJ-UHFFFAOYSA-N;147.17;0.98;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_P1";;;;;;;0.81;;-0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM405825;MM405825;C#CC(C=C)=NN=CCC;NVPRNWBNTMXECK-UHFFFAOYSA-N;134.18;1.64;;;;;DOPC;MDCG;27;0;"MARTINI bead: N0_N0";;;;;;;1.47;;-0.05;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM405826;MM405826;CON=COC(CN)OC;JENTVTBCVYGJKB-UHFFFAOYSA-N;148.16;-0.48;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1_P2";;;;;;;-1.06;;-5.12;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM405827;MM405827;C#CC(C=C)=NN=CCO;MNBNYQWMBXTMMV-UHFFFAOYSA-N;136.15;0.22;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_C5";;;;;;;0.54;;-1.09;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM405828;MM405828;CCC=NOC(CC)CC;DUUNKRNRYNEGJK-UHFFFAOYSA-N;143.23;2.59;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_C1";;;;;;;2.91;;0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM405829;MM405829;C#CC(C#N)=NN=CCC;IGDSVYYSLUWPGB-UHFFFAOYSA-N;133.15;0.98;;;;;DOPC;MDCG;27;0;"MARTINI bead: C2_P1";;;;;;;2;;0.29;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM405830;MM405830;CCC(CC)ON=CCN;DDTFUFSOVYWPHR-UHFFFAOYSA-N;144.22;1.14;;;;;DOPC;MDCG;27;1;"MARTINI bead: C1_P3";;;;;;;0.94;;-1.21;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM405831;MM405831;C#CC(C=O)=NN=CCF;OKZVLXJOXLRRBB-UHFFFAOYSA-N;140.12;0.21;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_P1";;;;;;;0.81;;-0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM405832;MM405832;N#CCCNN=COC=O;IMEQCCMNFJCILJ-UHFFFAOYSA-N;141.13;-0.39;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_Nd";;;;;;;0.04;;-2.63;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM405833;MM405833;C#CC(C#N)=NN=CCF;MZTIFSZXDOGGED-UHFFFAOYSA-N;137.12;0.54;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4_P1";;;;;;;1.37;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM405834;MM405834;CCOC=NNC=CC=O;SCNIYBDTVQWWHF-UHFFFAOYSA-N;142.16;0.27;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda_Na";;;;;;;0.87;;-1.99;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM405835;MM405835;C#CC(C=C)=NN=COC;QJJDZTGGAZXZNE-UHFFFAOYSA-N;136.15;0.84;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_C5";;;;;;;0.81;;-0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM405836;MM405836;CCC(CN)ON=CCO;BVHPIDBZPXWSNZ-UHFFFAOYSA-N;146.19;-0.28;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_P2";;;;;;;-0.24;;-4.65;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM405837;MM405837;C#CC(C=O)=NN=COC;HXQUVIGKSHAUSK-UHFFFAOYSA-N;138.13;-0.15;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_P2";;;;;;;0.54;;-1.09;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM405838;MM405838;CCC(CO)ON=CCN;FCPRJGKTLZDIRY-UHFFFAOYSA-N;146.19;-0.28;;;;;DOPC;MDCG;27;1;"MARTINI bead: C5_P3";;;;;;;-0.33;;-3.41;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM405839;MM405839;C#CC(C#N)=NN=COC;YALKPCKGYBIYLU-UHFFFAOYSA-N;135.13;0.17;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_P2";;;;;;;0.54;;-1.09;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM405840;MM405840;C=CC=NN=CN=CNN;PVYICPPQXIBILN-UHFFFAOYSA-N;139.16;-0.32;;;;;DOPC;MDCG;27;0;"MARTINI bead: P3_C4";;;;;;;0.23;;-1.03;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM405841;MM405841;C#CC(C=C)=CC=CC=C;TVYMPHDZQXTIPN-UHFFFAOYSA-N;130.19;2.47;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4_C4";;;;;;;3.53;;0.53;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM405842;MM405842;CCC=NOC(CN)CN;MJDWABIKKXOHAY-UHFFFAOYSA-N;145.21;-0.32;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nda_P2";;;;;;;-0.24;;-4.77;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM405843;MM405843;C#CC(C=C)=CC=CC=O;MGMVENJRQOTRMI-UHFFFAOYSA-N;132.16;1.49;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4_Na";;;;;;;2.2;;0.34;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM405844;MM405844;CCC=NOC(CN)CO;IDQIGLLYIZOGJB-UHFFFAOYSA-N;146.19;-0.28;;;;;DOPC;MDCG;27;1;"MARTINI bead: Na_P2";;;;;;;-0.24;;-4.37;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM405845;MM405845;C#CC(C=C)=CC=CC#N;IKYZLLPZKVWWIK-UHFFFAOYSA-N;129.16;1.81;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4_N0";;;;;;;2.5;;0.44;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM405846;MM405846;NCC=NOC(CN)CO;LEFMCAHOUOMXAV-UHFFFAOYSA-N;147.18;-1.73;;;;;DOPC;MDCG;27;1;"MARTINI bead: P3_P2";;;;;;;-2.2;;-6.77;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM405847;MM405847;C#CC(C=O)=CC=CC=C;GJMDVOFAMDNHLU-UHFFFAOYSA-N;132.16;1.49;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4_Na";;;;;;;2.2;;0.34;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM405848;MM405848;NCC(CO)ON=CCF;XTASXVDQOUSHBM-UHFFFAOYSA-N;150.15;-0.72;;;;;DOPC;MDCG;27;1;"MARTINI bead: P2_P1";;;;;;;-1.06;;-4.95;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM405849;MM405849;C#CC(C#N)=CC=CC=C;LFBSIJRQYAXGIU-UHFFFAOYSA-N;129.16;1.81;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4_N0";;;;;;;2.5;;0.44;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM405850;MM405850;NCC=NOC(CO)CO;JXJCIEAXCFVFDX-UHFFFAOYSA-N;148.16;-1.7;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1_P5";;;;;;;-1.94;;-7.29;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM405851;MM405851;C#CC(C=O)=CC=CC=O;KERIJGOCJZMQSF-UHFFFAOYSA-N;134.13;0.5;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_Na";;;;;;;0.87;;-2.22;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM405852;MM405852;CC(NN=CC=O)C1CC1;BUQPFKPKXMZOHZ-UHFFFAOYSA-N;140.19;0.56;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_SC3";;;;;;;1.74;;0.29;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM405853;MM405853;C#CC(C=O)=CC=CC#N;MPCHVZCQICNXSP-UHFFFAOYSA-N;131.13;0.82;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_N0";;;;;;;1.17;;-1.18;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM405854;MM405854;C=CC(C=O)=NNC1CC1;AMTMAULEUJMKRJ-UHFFFAOYSA-N;138.17;0.48;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_SP1";;;;;;;-0.79;;-3.13;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM405855;MM405855;C#CC(C#N)=CC=CC=O;JJEHVBWVKCVWDT-UHFFFAOYSA-N;131.13;0.82;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_N0";;;;;;;1.17;;-1.18;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM405856;MM405856;CCC(CC)ON=COC;UKFDQGVSJWUDSC-UHFFFAOYSA-N;145.2;1.78;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1_P2";;;;;;;1.8;;0.4;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM405857;MM405857;C#CC(C=C)=CC=NN=C;SPGBIIICRHOYNU-UHFFFAOYSA-N;132.17;1.42;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4_N0";;;;;;;2.5;;0.44;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM405858;MM405858;CCC(CF)ON=COC;RUSOHQNUPQMIDK-UHFFFAOYSA-N;149.17;1.34;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4_P2";;;;;;;1.09;;-0.38;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM405859;MM405859;C#CC(C=O)=CC=NN=C;MJDSVOIUCOXOKG-UHFFFAOYSA-N;134.14;0.43;;;;;DOPC;MDCG;27;0;"MARTINI bead: N0_Na";;;;;;;1.17;;-1.18;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM405860;MM405860;COC=NOC(CN)CO;LLVIDZLXOGADSO-UHFFFAOYSA-N;148.16;-1.09;;;;;DOPC;MDCG;27;1;"MARTINI bead: P2_P2";;;;;;;-1.34;;-5.44;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM405861;MM405861;C#CC(C#N)=CC=NN=C;WZEVWCXYGHWPAY-UHFFFAOYSA-N;131.14;0.76;;;;;DOPC;MDCG;27;0;"MARTINI bead: N0_N0";;;;;;;1.47;;-0.05;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM405862;MM405862;COC=NOC(CN)CF;NMGCISNAZHNJIA-UHFFFAOYSA-N;150.15;-0.11;;;;;DOPC;MDCG;27;1;"MARTINI bead: P2_P1";;;;;;;-1.06;;-5.24;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM405863;MM405863;C#CC(C=C)=NN=CC=C;BVLSDKUINQKOSO-UHFFFAOYSA-N;132.17;1.42;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4_P1";;;;;;;1.37;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM405864;MM405864;COC=NOC(CF)CF;MZCHPUFWUDSKMK-UHFFFAOYSA-N;153.13;0.9;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_Na";;;;;;;0.87;;-2.22;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM405865;MM405865;C#CC(C=C)=NN=CC#N;QCQXQDRQVLHXJY-UHFFFAOYSA-N;131.14;0.76;;;;;DOPC;MDCG;27;0;"MARTINI bead: N0_C5";;;;;;;1.94;;0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM405866;MM405866;CC1(C)CC(C)(O)C1;XROULHQJFPDLCI-UHFFFAOYSA-N;114.19;1.56;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC3_SNda";;;;;;;2.57;;0.44;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM405867;MM405867;C#CC(C=O)=NN=CC=C;MUAGPVUKBPKMCN-UHFFFAOYSA-N;134.14;0.43;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4_P1";;;;;;;1.37;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM405868;MM405868;CCC(OC)ON=COC;HXVJEBUFPLMDAJ-UHFFFAOYSA-N;147.17;0.98;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_P1";;;;;;;0.81;;-0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM405869;MM405869;C#CC(C#N)=NN=CC=C;OCZJJRLPVJCAFT-UHFFFAOYSA-N;131.14;0.76;;;;;DOPC;MDCG;27;0;"MARTINI bead: N0_N0";;;;;;;1.47;;-0.05;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM405870;MM405870;CCC=CCN(CC)CC;GNERVRYWRNXNQS-UHFFFAOYSA-N;141.26;2.29;;;;;DOPC;MDCG;27;1;"MARTINI bead: C3_C5";;;;;;;3.34;;0.63;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM405871;MM405871;C#CC(C=O)=NN=CC#N;PHYHSMHWCZNFFQ-UHFFFAOYSA-N;133.11;-0.23;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_C5";;;;;;;0.54;;-1.09;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM405872;MM405872;CCN(CC)CC=CCN;SKBVFTSHGKPERB-UHFFFAOYSA-N;142.25;0.84;;;;;DOPC;MDCG;27;1;"MARTINI bead: C5_P1";;;;;;;0.81;;-2.95;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM405873;MM405873;C#CC(C#N)=NN=CC=O;OBFHAUBFSIOTMQ-UHFFFAOYSA-N;133.11;-0.23;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_P1";;;;;;;0.81;;-0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM405874;MM405874;CCN(CC)CC=CCO;YMJFIHWYTLHXSB-UHFFFAOYSA-N;143.23;0.88;;;;;DOPC;MDCG;27;1;"MARTINI bead: C5_Nda";;;;;;;1.64;;-1.65;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM405875;MM405875;C#CC(C#N)=NN=CC#N;YNHRYPYFRRQXDE-UHFFFAOYSA-N;130.11;0.09;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_C5";;;;;;;0.81;;-0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM405876;MM405876;CCN(CC)CC=CCF;YAHRDZAJRXPMKF-UHFFFAOYSA-N;145.22;1.85;;;;;DOPC;MDCG;27;1;"MARTINI bead: C5_Na";;;;;;;1.64;;-2.01;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM405877;MM405877;C#CC=CC=C(C#C)C=C;PGTDAKTUTWPZCK-UHFFFAOYSA-N;128.17;1.92;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4_N0";;;;;;;2.5;;0.44;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM405878;MM405878;CCN(CC)CC=COC;FZCXREUFHSWZAK-UHFFFAOYSA-N;143.23;1.49;;;;;DOPC;MDCG;27;1;"MARTINI bead: C5_Na";;;;;;;1.64;;-1.68;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM405879;MM405879;C#CC=CC=C(C#C)C=O;STIATLTXUMOSHE-UHFFFAOYSA-N;130.15;0.93;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_N0";;;;;;;1.17;;-1.18;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM405880;MM405880;C=CC=CCC(CC)CC;RILUZQLFZNLNNB-UHFFFAOYSA-N;138.25;3.55;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1_C1";;;;;;;4.95;;0.69;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM405881;MM405881;C#CC=NN=C(C#C)C=C;CULFJGVPFHLULF-UHFFFAOYSA-N;130.15;0.87;;;;;DOPC;MDCG;27;0;"MARTINI bead: N0_N0";;;;;;;1.47;;-0.05;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM405882;MM405882;CCC(CC)CC=CC=O;UQZMJIYGBOMMKK-UHFFFAOYSA-N;140.23;2.57;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1_Na";;;;;;;2.91;;0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM405883;MM405883;C#CC=NN=C(C#C)C=O;UCKULZDJIMOKBZ-UHFFFAOYSA-N;132.12;-0.12;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_C4";;;;;;;1.09;;-0.38;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM405884;MM405884;CCC(CC)CC=CC#N;GLTJGDRPSSAHNX-UHFFFAOYSA-N;137.23;2.89;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1_N0";;;;;;;3.21;;0.46;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM405885;MM405885;C#CC=NN=C(C#C)C#N;GDGJVOLYQONQKA-UHFFFAOYSA-N;129.12;0.2;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_P1";;;;;;;0.81;;-0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM405886;MM405886;C=CC=CCC(CC)CN;PPGVSKVRVXMWMB-UHFFFAOYSA-N;139.24;2.1;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_C1";;;;;;;2.91;;-0.56;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM405887;MM405887;C#CC(C#C)=CC=CCC;DWZOURUTZJMMIA-UHFFFAOYSA-N;130.19;2.15;;;;;DOPC;MDCG;27;0;"MARTINI bead: C3_C5";;;;;;;3.34;;0.48;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM405888;MM405888;C=CC(=C)C(C)(C)O;KKMOCXNMMHYIRC-UHFFFAOYSA-N;112.17;1.5;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda_C4";;;;;;;2.2;;0.49;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM405889;MM405889;C#CC(C#C)=CC=CCO;IZIOFXXLHYJRCD-UHFFFAOYSA-N;132.16;0.73;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda_C5";;;;;;;1.64;;0.05;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM405890;MM405890;N=C1NC(=N)C(=O)O1;XPCBRSKKUPWYMB-UHFFFAOYSA-N;113.08;-0.96;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP2_SP2";;;;;;;-1.34;;-4.31;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM405891;MM405891;C#CC(C#C)=CC=CCF;UHXBENQFTCYCRN-UHFFFAOYSA-N;134.15;1.7;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_C5";;;;;;;1.64;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM405892;MM405892;C=CC=CCC(CC)CF;MSXGSKZQSVKQHD-UHFFFAOYSA-N;142.22;3.11;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4_C1";;;;;;;4.24;;0.42;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM405893;MM405893;C#CC(C#C)=CC=NNC;SVLZNPFSQQVPFM-UHFFFAOYSA-N;132.17;0.38;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_C5";;;;;;;0.54;;-1.09;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM405894;MM405894;CCC(CF)CC=CC#N;MPXIXLAJLKPLNS-UHFFFAOYSA-N;141.19;2.45;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4_N0";;;;;;;2.5;;0.44;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM405895;MM405895;C#CC(C#C)=CC=NOC;GRXCMDIESSMFHS-UHFFFAOYSA-N;133.15;0.81;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_C5";;;;;;;0.81;;-0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM405896;MM405896;C=CC=CCC(CO)CF;IHHFXZUOXUIBPQ-UHFFFAOYSA-N;144.19;1.7;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_C1";;;;;;;2.08;;0.48;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM405897;MM405897;C#CC(C#C)=NN=CCC;STYZQYCSHSHVHU-UHFFFAOYSA-N;132.17;1.09;;;;;DOPC;MDCG;27;0;"MARTINI bead: N0_N0";;;;;;;1.47;;-0.05;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM405898;MM405898;C=NN=CCC(CC)CC;PHWSIIDDCICYDQ-UHFFFAOYSA-N;140.23;2.5;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1_C5";;;;;;;3.68;;0.46;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM405899;MM405899;C#CC(C#C)=NN=CCF;YDPFNVCEONUMOM-UHFFFAOYSA-N;136.13;0.65;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_N0";;;;;;;1.94;;0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM405900;MM405900;C=NN=CCC(CC)CN;XXJVFXSLLNVSLE-UHFFFAOYSA-N;141.22;1.05;;;;;DOPC;MDCG;27;1;"MARTINI bead: C5_N0";;;;;;;1.94;;-1.56;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM405901;MM405901;C#CC(C#C)=NN=COC;NWJKRZLWNVATRD-UHFFFAOYSA-N;134.14;0.28;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_P1";;;;;;;0.81;;-0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM405902;MM405902;C=NN=CCC(CC)CO;XRPJPPCQGUTBDC-UHFFFAOYSA-N;142.2;1.08;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_N0";;;;;;;1.94;;0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM405903;MM405903;C#CC(C#C)=CC=CC=C;WXDOFQQXLNGGSY-UHFFFAOYSA-N;128.17;1.92;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4_C5";;;;;;;2.97;;0.45;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM405904;MM405904;C=NN=CCC(CC)CF;MWUUTKOGCJRLHV-UHFFFAOYSA-N;144.19;2.06;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4_C5";;;;;;;2.97;;0.45;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM405905;MM405905;C#CC(C#C)=CC=CC=O;JGYDDTCQNXMESE-UHFFFAOYSA-N;130.15;0.93;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_C5";;;;;;;1.64;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM405906;MM405906;C=NN=CCC(CN)CF;SZEBCJVXPZELRI-UHFFFAOYSA-N;145.18;0.61;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1_C5";;;;;;;0.81;;-3.2;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM405907;MM405907;C#CC(C#C)=CC=CC#N;HTEKLATYVJYDDP-UHFFFAOYSA-N;127.15;1.26;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_N0";;;;;;;1.94;;0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM405908;MM405908;C=NN=CCC(CO)CF;QZJXOOYCXBZMKP-UHFFFAOYSA-N;146.17;0.64;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_C5";;;;;;;0.81;;-0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM405909;MM405909;C#CC(C#C)=CC=NN=C;QVGWNCVGVBQLOV-UHFFFAOYSA-N;130.15;0.87;;;;;DOPC;MDCG;27;0;"MARTINI bead: N0_C5";;;;;;;1.94;;0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM405910;MM405910;C=CC=CCC(CC)NC;HLJYRKKEVXFSNM-UHFFFAOYSA-N;139.24;2.12;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_C1";;;;;;;2.91;;-0.98;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM405911;MM405911;C#CC(C#C)=NN=CC=C;NCGWWJWVSWIWEX-UHFFFAOYSA-N;130.15;0.87;;;;;DOPC;MDCG;27;0;"MARTINI bead: N0_N0";;;;;;;1.47;;-0.05;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM405912;MM405912;CCC(CC=CC=O)NC;YGGCWJYQTZAZAI-UHFFFAOYSA-N;141.21;1.13;;;;;DOPC;MDCG;27;1;"MARTINI bead: C5_Na";;;;;;;1.64;;-3.08;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM405913;MM405913;C#CC(C#C)=NN=CC=O;NZMYNDKSAKOVKN-UHFFFAOYSA-N;132.12;-0.12;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_N0";;;;;;;1.17;;-1.18;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM405914;MM405914;CCC(CC=CC#N)NC;YFRJYQJICNPFHB-UHFFFAOYSA-N;138.21;1.45;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_N0";;;;;;;1.17;;-4.29;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM405915;MM405915;C#CC(C#C)=NN=CC#N;BOGQQUNDIIASOQ-UHFFFAOYSA-N;129.12;0.2;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_C5";;;;;;;0.81;;-0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM405916;MM405916;C=CC=CCC(CN)NC;YBNOBNJUUYHOCT-UHFFFAOYSA-N;140.23;0.67;;;;;DOPC;MDCG;27;1;"MARTINI bead: P3_C1";;;;;;;0.94;;-2.48;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM405917;MM405917;C#CC=CC=C(C#C)C#C;ZFMQASNFULSVAZ-UHFFFAOYSA-N;126.16;1.37;;;;;DOPC;MDCG;27;0;"MARTINI bead: N0_C5";;;;;;;1.94;;0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM405918;MM405918;CNC(CO)CC=CC=O;MLGXWMZDRNZAAO-UHFFFAOYSA-N;143.19;-0.29;;;;;DOPC;MDCG;27;1;"MARTINI bead: P2_Na";;;;;;;-0.24;;-5.65;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM405919;MM405919;C#CC=NN=C(C#C)C#C;QLAOPHPJECQXOC-UHFFFAOYSA-N;128.13;0.31;;;;;DOPC;MDCG;27;0;"MARTINI bead: N0_N0";;;;;;;1.47;;-0.05;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM405920;MM405920;C=CC=CCC(CC)OC;OADAIUKVNDFBOH-UHFFFAOYSA-N;140.23;2.54;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4_C4";;;;;;;3.53;;0.53;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM405921;MM405921;CCC#CC=C(CC)CC;OAUKMTHIYIFIKK-UHFFFAOYSA-N;136.24;3.15;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_C1";;;;;;;3.68;;0.46;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM405922;MM405922;CCC(CC=CC=O)OC;UDTOMZAMYPCLDT-UHFFFAOYSA-N;142.2;1.56;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4_Na";;;;;;;2.2;;0.34;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM405923;MM405923;CCC(=CC#CCN)CC;QDZDGFZXNMWIGE-UHFFFAOYSA-N;137.23;1.69;;;;;DOPC;MDCG;27;1;"MARTINI bead: C1_P2";;;;;;;1.8;;-0.29;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM405924;MM405924;CCC(CC=CC#N)OC;ACMLJMLLBNXHIP-UHFFFAOYSA-N;139.2;1.88;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_N0";;;;;;;1.17;;-1.18;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM405925;MM405925;CCC(=CC#CCO)CC;IXUZPUHYNFJWEK-UHFFFAOYSA-N;138.21;1.73;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1_P2";;;;;;;1.8;;0.4;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM405926;MM405926;COC(CF)CC=CC=O;YXLWNDRDJRUWNV-UHFFFAOYSA-N;146.16;1.12;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_Na";;;;;;;0.87;;-2.22;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM405927;MM405927;CCC(=CC#CCF)CC;MORWYNCIOUVEKU-UHFFFAOYSA-N;140.2;2.71;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1_Na";;;;;;;2.91;;0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM405928;MM405928;C=NN=CCC(CC)OC;QZXIRQVFRGZWHZ-UHFFFAOYSA-N;142.2;1.49;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_C5";;;;;;;1.64;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM405929;MM405929;CCC#CC=C(CC)CN;BHIADGNGQXAHRA-UHFFFAOYSA-N;137.23;1.69;;;;;DOPC;MDCG;27;1;"MARTINI bead: C5_Nd";;;;;;;1.64;;-2.11;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM405930;MM405930;C=NN=CCC(CN)OC;RMROZLCESBNREI-UHFFFAOYSA-N;143.19;0.04;;;;;DOPC;MDCG;27;1;"MARTINI bead: P2_C5";;;;;;;0.54;;-3.14;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM405931;MM405931;CCC(=CC#CCN)CN;XQNXBFAYVXSUPT-UHFFFAOYSA-N;138.21;0.24;;;;;DOPC;MDCG;27;1;"MARTINI bead: C5_P1";;;;;;;0.81;;-2.76;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM405932;MM405932;C=NN=CCC(CO)OC;JLGGBADDVSJISL-UHFFFAOYSA-N;144.17;0.07;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_N0";;;;;;;0.34;;-1.53;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM405933;MM405933;CCC(=CC#CCO)CN;ZCMKJEDPYGTIEI-UHFFFAOYSA-N;139.2;0.28;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_Nda";;;;;;;0.87;;-4.13;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM405934;MM405934;C=CC=CCC(OC)OC;BEAYXWRQXHZWAF-UHFFFAOYSA-N;142.2;1.74;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_C4";;;;;;;2.2;;0.34;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM405935;MM405935;CCC(=CC#CCF)CN;NUDKJGTXONSWKB-UHFFFAOYSA-N;141.19;1.25;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_Na";;;;;;;0.87;;-4.1;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM405936;MM405936;C=NN=CCC(OC)OC;URCUNFUMZXVOAE-UHFFFAOYSA-N;144.17;0.68;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_C5";;;;;;;0.81;;-0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM405937;MM405937;CCC#CC=C(CC)CO;ZKSICZHAXBRNNU-UHFFFAOYSA-N;138.21;1.73;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_C5";;;;;;;2.41;;0.64;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM405938;MM405938;CCC(CC)NC=CC=O;KRZLKKFOXFFDKU-UHFFFAOYSA-N;141.21;1.48;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1_P2";;;;;;;1.8;;0.4;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM405939;MM405939;CCC(=CC#CCN)CO;QJTPUDPDLZHXNN-UHFFFAOYSA-N;139.2;0.28;;;;;DOPC;MDCG;27;1;"MARTINI bead: C5_P2";;;;;;;0.54;;-2.43;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM405940;MM405940;CCC(CC)NC=CC#N;SFMZHLZSUAUDEH-UHFFFAOYSA-N;138.21;1.8;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1_P1";;;;;;;2.08;;0.48;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM405941;MM405941;CCC(=CC#CCO)CO;UJLWMBJRBFHZJB-UHFFFAOYSA-N;140.18;0.31;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_P2";;;;;;;0.54;;-1.09;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM405942;MM405942;CCC(CF)NC=CC=O;RDYAKZLFPUMXNY-UHFFFAOYSA-N;145.18;1.04;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4_P2";;;;;;;1.09;;-0.38;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM405943;MM405943;CCC(=CC#CCF)CO;CXFPNFVOYZHSEK-UHFFFAOYSA-N;142.17;1.29;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_Na";;;;;;;1.64;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM405944;MM405944;CCC(CF)NC=CC#N;MAIZFMJAJKJXHI-UHFFFAOYSA-N;142.18;1.36;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4_P1";;;;;;;1.37;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM405945;MM405945;CCC#CC=C(CC)CF;BNJCSAVIMMKVDQ-UHFFFAOYSA-N;140.2;2.71;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_C3";;;;;;;3.34;;0.48;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM405946;MM405946;O=CC=CNC(CO)CO;KABHEFWPTJAZNZ-UHFFFAOYSA-N;145.16;-1.36;;;;;DOPC;MDCG;27;0;"MARTINI bead: P3_P2";;;;;;;-2.2;;-5.19;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM405947;MM405947;CCC(=CC#CCN)CF;VJNNWEBHMWLJAV-UHFFFAOYSA-N;141.19;1.25;;;;;DOPC;MDCG;27;1;"MARTINI bead: C3_P2";;;;;;;1.46;;-1.38;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM405948;MM405948;C=CC1(O)CC=CC1;MIIQKKMGMVJCFN-UHFFFAOYSA-N;110.16;1.25;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNda_SC5";;;;;;;1.64;;0.05;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM405949;MM405949;CCC(=CC#CCO)CF;FCDOLUOHTLXSAR-UHFFFAOYSA-N;142.17;1.29;;;;;DOPC;MDCG;27;0;"MARTINI bead: C3_P2";;;;;;;1.46;;-0.15;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM405950;MM405950;CCC(CC)N=CNC=N;VRPQYQBKNSLKIP-UHFFFAOYSA-N;141.22;1.4;;;;;DOPC;MDCG;27;1;"MARTINI bead: C1_P4";;;;;;;0.85;;-2.49;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM405951;MM405951;CCC(=CC#CCF)CF;ZXJBXXPABQXMHI-UHFFFAOYSA-N;144.16;2.27;;;;;DOPC;MDCG;27;0;"MARTINI bead: C3_Na";;;;;;;2.57;;0.45;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM405952;MM405952;N=CNC=NC(CN)CO;INFSLCHCKOFIOX-UHFFFAOYSA-N;144.18;-1.47;;;;;DOPC;MDCG;27;1;"MARTINI bead: P2_P4";;;;;;;-2.29;;-7.82;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM405953;MM405953;CCC#CC=C(CN)CN;YCXDMDYLDGRKBD-UHFFFAOYSA-N;138.21;0.24;;;;;DOPC;MDCG;27;1;"MARTINI bead: C3_P3";;;;;;;0.6;;-2.91;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM405954;MM405954;NCC(CO)N=CNC=O;BWHYTWOYYCTHEY-UHFFFAOYSA-N;145.16;-1.92;;;;;DOPC;MDCG;27;1;"MARTINI bead: P2_P4";;;;;;;-2.29;;-7.32;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM405955;MM405955;NCC(=CC#CCO)CN;LYCRLENPZYSRJH-UHFFFAOYSA-N;140.19;-1.17;;;;;DOPC;MDCG;27;1;"MARTINI bead: P3_Nda";;;;;;;-1.1;;-6.12;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM405956;MM405956;O=CNC=NC(CO)CO;TYQKWNUFOXMRTF-UHFFFAOYSA-N;146.15;-1.89;;;;;DOPC;MDCG;27;0;"MARTINI bead: P3_P4";;;;;;;-3.15;;-6.87;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM405957;MM405957;NCC#CC=C(CN)CO;XFLKNTSGBJZODH-UHFFFAOYSA-N;140.19;-1.17;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_P3";;;;;;;-1.1;;-5.89;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM405958;MM405958;C=COC1=NNCC1;JRLYVLJZXIFTLT-UHFFFAOYSA-N;112.13;0.45;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNa_SP1";;;;;;;0.04;;-2.54;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM405959;MM405959;NCC#CC=C(CN)CF;BUTPDORDYWUIPC-UHFFFAOYSA-N;142.18;-0.2;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_P1";;;;;;;0.04;;-4.83;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM405960;MM405960;C#CC=CCC(C)(C)O;HMRFYWRBIOJUJP-UHFFFAOYSA-N;124.18;1.34;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda_C4";;;;;;;2.2;;0.49;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM405961;MM405961;CCC#CC=C(CO)CO;TURDYJDNRAZJKF-UHFFFAOYSA-N;140.18;0.31;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_P2";;;;;;;0.54;;-1.09;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM405962;MM405962;C=CC=NNC(CC)CC;CTOJQTODGSFLNS-UHFFFAOYSA-N;140.23;1.94;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1_Nd";;;;;;;2.91;;0.64;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM405963;MM405963;NCC#CC=C(CO)CO;IYIRZAIBNSSPPY-UHFFFAOYSA-N;141.17;-1.14;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_P3";;;;;;;-1.1;;-5.27;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM405964;MM405964;C=CC1(C)NC(C)C1=O;SNUKDWAYJIUWSP-UHFFFAOYSA-N;125.17;0.49;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP2_SP1";;;;;;;-1.06;;-3.82;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM405965;MM405965;OCC#CC=C(CO)CO;MZEOEHQCFPTLCI-UHFFFAOYSA-N;142.15;-1.11;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda_P3";;;;;;;-1.1;;-3.97;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM405966;MM405966;CCC(CC)NN=CC#N;WVDCVTSMNBGYLU-UHFFFAOYSA-N;139.2;1.27;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1_P2";;;;;;;1.8;;0.4;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM405967;MM405967;CCC#CC=C(CO)CF;RAVFJAGGPKILMH-UHFFFAOYSA-N;142.17;1.29;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_Nda";;;;;;;1.64;;0.05;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM405968;MM405968;C#CCC1C(C)C1(C)O;NKYLBFJXXBGMHI-UHFFFAOYSA-N;124.18;1.03;;;;;DOPC;MDCG;27;0;"MARTINI bead: N0_SNda";;;;;;;1.17;;-1.13;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM405969;MM405969;OCC#CC=C(CO)CF;LGOJNMCCSABMTM-UHFFFAOYSA-N;144.15;-0.13;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda_P1";;;;;;;0.04;;-2.73;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM405970;MM405970;C=CC=NNC(CC)CF;AXTOUNQTBXRRCZ-UHFFFAOYSA-N;144.19;1.5;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_C5";;;;;;;1.64;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM405971;MM405971;OCC(=CC#CCF)CF;TVBXQLIDUWHYPZ-UHFFFAOYSA-N;146.14;0.85;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda_Na";;;;;;;0.87;;-1.99;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM405972;MM405972;C=CC(=O)C=NNCC;ZVENHCWFBOAUFD-UHFFFAOYSA-N;126.16;0.34;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nd_Na";;;;;;;0.87;;-1.88;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM405973;MM405973;FCC#CC=C(CF)CF;TVUHDNNLWHQZIQ-UHFFFAOYSA-N;148.13;1.82;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_C5";;;;;;;1.64;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM405974;MM405974;CCC(CF)NN=CC#N;JGEGGHLKRKBJOG-UHFFFAOYSA-N;143.17;0.83;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4_P2";;;;;;;1.09;;-0.38;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM405975;MM405975;CCC#CC=C(CC)OC;WVLRONCMBXSPHC-UHFFFAOYSA-N;138.21;2.34;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_C4";;;;;;;2.97;;0.45;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM405976;MM405976;CNn1cc(N)c(N)n1;ANMHXDLNIIHOKN-UHFFFAOYSA-N;127.15;-0.78;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP1_SP2";;;;;;;-1.06;;-3.82;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM405977;MM405977;CCC(=CC#CCN)OC;AYXLOPAGTNYMRC-UHFFFAOYSA-N;139.2;0.89;;;;;DOPC;MDCG;27;1;"MARTINI bead: C4_P2";;;;;;;1.09;;-1.65;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM405978;MM405978;C=NN=C(C)NN1CC1;XXMPLMGNDPEEFO-UHFFFAOYSA-N;126.16;-0.16;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_SP3";;;;;;;-0.33;;-2.01;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM405979;MM405979;CCC(=CC#CCO)OC;VLAIROVWTMFHBN-UHFFFAOYSA-N;140.18;0.92;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4_P2";;;;;;;1.09;;-0.38;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM405980;MM405980;C=CC=COC(CC)CC;RBBSVHRHDRYLBD-UHFFFAOYSA-N;140.23;2.89;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1_Na";;;;;;;2.91;;0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM405981;MM405981;CCC(=CC#CCF)OC;HIHFPAPFZVVJKO-UHFFFAOYSA-N;142.17;1.9;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4_Na";;;;;;;2.2;;0.34;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM405982;MM405982;CCC(CC)OC=CC=O;FMPWSNZGQYOXEM-UHFFFAOYSA-N;142.2;1.9;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1_P2";;;;;;;1.8;;0.4;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM405983;MM405983;CCC#CC=C(CN)OC;FINDNWQYGIQYCK-UHFFFAOYSA-N;139.2;0.89;;;;;DOPC;MDCG;27;1;"MARTINI bead: C5_P1";;;;;;;0.81;;-1.91;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM405984;MM405984;CCC(CC)OC=CC#N;ABARMNRKPNENGC-UHFFFAOYSA-N;139.2;2.23;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1_P2";;;;;;;1.8;;0.4;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM405985;MM405985;COC(=CC#CCN)CN;IBHWYYQOUIHJMG-UHFFFAOYSA-N;140.19;-0.56;;;;;DOPC;MDCG;27;1;"MARTINI bead: P2_Nd";;;;;;;-0.24;;-4.82;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM405986;MM405986;CCC(CO)OC=CC=O;VQTKOYGKNPWPQZ-UHFFFAOYSA-N;144.17;0.49;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_P1";;;;;;;0.81;;-0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM405987;MM405987;COC(=CC#CCF)CN;HVXSOPWXMZNPOG-UHFFFAOYSA-N;143.16;0.45;;;;;DOPC;MDCG;27;1;"MARTINI bead: P2_C5";;;;;;;0.54;;-2.5;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM405988;MM405988;CCC(CO)OC=CC#N;MOFQXOKEOYWVDK-UHFFFAOYSA-N;141.17;0.81;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_P1";;;;;;;0.81;;-0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM405989;MM405989;CCC#CC=C(CO)OC;WWFNJXOSSCBMQA-UHFFFAOYSA-N;140.18;0.92;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_Nda";;;;;;;1.64;;0.05;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM405990;MM405990;CCC(CF)OC=CC=O;XMVGZEMODIUSFX-UHFFFAOYSA-N;146.16;1.46;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4_P2";;;;;;;1.09;;-0.38;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM405991;MM405991;C=CC=COC(CO)CO;SGTXYARDDFBMKX-UHFFFAOYSA-N;144.17;0.06;;;;;DOPC;MDCG;27;0;"MARTINI bead: P4_C4";;;;;;;0.15;;-2.18;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM405992;MM405992;COC(=CC#CCO)CO;APUGMRVZLRNJFQ-UHFFFAOYSA-N;142.15;-0.5;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda_P2";;;;;;;-0.24;;-3.31;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM405993;MM405993;O=CC=COC(CO)CO;CBHRQZOJBZZHCD-UHFFFAOYSA-N;146.14;-0.93;;;;;DOPC;MDCG;27;0;"MARTINI bead: P4_Na";;;;;;;-1.19;;-4.76;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM405994;MM405994;COC(=CC#CCF)CO;BXKIEZWFHQQKJQ-UHFFFAOYSA-N;144.15;0.48;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda_Na";;;;;;;0.87;;-1.99;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM405995;MM405995;N#CC=COC(CO)CO;PPOKWDDEPFZLOE-UHFFFAOYSA-N;143.14;-0.61;;;;;DOPC;MDCG;27;0;"MARTINI bead: P4_N0";;;;;;;-0.88;;-3.74;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM405996;MM405996;CCC#CC=C(CF)OC;UELNSPLVQUDGIJ-UHFFFAOYSA-N;142.17;1.9;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_C5";;;;;;;2.41;;0.64;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM405997;MM405997;C=NN=COC(CC)CC;URPSVHAPSRGIKG-UHFFFAOYSA-N;142.2;1.84;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_N0";;;;;;;1.94;;0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM405998;MM405998;COC(=CC#CCN)CF;CJDBLCQNCTUZNI-UHFFFAOYSA-N;143.16;0.45;;;;;DOPC;MDCG;27;1;"MARTINI bead: C5_P2";;;;;;;0.54;;-2.38;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM405999;MM405999;C=NN=COC(CN)CN;WXARMVOXCCFXKS-UHFFFAOYSA-N;144.18;-1.07;;;;;DOPC;MDCG;27;1;"MARTINI bead: P4_N0";;;;;;;-0.88;;-5.53;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM406000;MM406000;COC(=CC#CCO)CF;KAYUIKNRYBJNTL-UHFFFAOYSA-N;144.15;0.48;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_P2";;;;;;;0.54;;-1.09;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM406001;MM406001;C=NN=COC(CN)CO;SCHLTEHKVPCGEE-UHFFFAOYSA-N;145.16;-1.03;;;;;DOPC;MDCG;27;1;"MARTINI bead: P4_N0";;;;;;;-0.88;;-5.2;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM406002;MM406002;COC(=CC#CCF)CF;GRZMSDSLROUYAP-UHFFFAOYSA-N;146.14;1.46;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_Na";;;;;;;1.64;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM406003;MM406003;CCC(OC)OC=CC=O;ODZBHIPBSMVUIV-UHFFFAOYSA-N;144.17;1.1;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_Na";;;;;;;0.87;;-2.22;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM406004;MM406004;C=CC#CC=C(CC)CC;YPFDYJFVCYHQBP-UHFFFAOYSA-N;134.22;2.92;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1_N0";;;;;;;3.21;;0.46;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM406005;MM406005;CCC(OC)OC=CC#N;UIBZHCYNXZWGMT-UHFFFAOYSA-N;141.17;1.42;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_N0";;;;;;;1.17;;-1.18;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM406006;MM406006;CCC(=CC#CC=O)CC;KDFSIEIPCFFPOT-UHFFFAOYSA-N;136.19;1.94;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1_P1";;;;;;;2.08;;0.48;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM406007;MM406007;C=CC=COC(CN)OC;QBUWERZLSYGQBF-UHFFFAOYSA-N;143.19;0.63;;;;;DOPC;MDCG;27;1;"MARTINI bead: P5_C4";;;;;;;0.22;;-3.92;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM406008;MM406008;CCC(=CC#CC#N)CC;BCZVNFWIWVTRQD-UHFFFAOYSA-N;133.19;2.26;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1_N0";;;;;;;3.21;;0.46;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM406009;MM406009;COC(CO)OC=CC=O;QVUNTIQMFJIUEZ-UHFFFAOYSA-N;146.14;-0.32;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_Na";;;;;;;-0.24;;-3.24;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM406010;MM406010;C=CC#CC=C(CC)CN;IVIKWBKJCYUPIO-UHFFFAOYSA-N;135.21;1.47;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_N0";;;;;;;1.17;;-3.26;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM406011;MM406011;C=CC=COC(CF)OC;IWOFIPGFQUUCBX-UHFFFAOYSA-N;146.16;1.64;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_C4";;;;;;;1.09;;-0.38;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM406012;MM406012;C=CC#CC=C(CC)CO;LZYRUSDIDUQNLS-UHFFFAOYSA-N;136.19;1.5;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_N0";;;;;;;1.94;;0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM406013;MM406013;C=NN=COC(CC)OC;KCWZRAMDVBLCCD-UHFFFAOYSA-N;144.17;1.03;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_N0";;;;;;;1.17;;-1.18;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM406014;MM406014;CCC(=CC#CC=O)CO;YQCLQLIJPGTJIJ-UHFFFAOYSA-N;138.17;0.52;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_P1";;;;;;;0.81;;-0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM406015;MM406015;C=NN=COC(CN)OC;IETRJQQBNWIHPD-UHFFFAOYSA-N;145.16;-0.42;;;;;DOPC;MDCG;27;1;"MARTINI bead: Na_P2";;;;;;;-0.24;;-4.34;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM406016;MM406016;CCC(=CC#CC#N)CO;VKKVTDDRTRXLTH-UHFFFAOYSA-N;135.17;0.84;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda_N0";;;;;;;1.17;;-1.13;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM406017;MM406017;C=CC=NOC(CC)CC;PTSNGQTZNZEYKT-UHFFFAOYSA-N;141.21;2.36;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1_Na";;;;;;;2.91;;0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM406018;MM406018;C=CC#CC=C(CC)CF;OGMVTTATEUPAIW-UHFFFAOYSA-N;138.19;2.48;;;;;DOPC;MDCG;27;0;"MARTINI bead: C3_N0";;;;;;;2.87;;0.37;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM406019;MM406019;CCC(CC)ON=CC#N;FRKGWCLNSOLHHL-UHFFFAOYSA-N;140.19;1.7;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1_P2";;;;;;;1.8;;0.4;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM406020;MM406020;CCC(=CC#CC=O)CF;CTJSRVYVHSOJDW-UHFFFAOYSA-N;140.16;1.49;;;;;DOPC;MDCG;27;0;"MARTINI bead: C3_P1";;;;;;;1.74;;0.29;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM406021;MM406021;C=CC=NOC(CC)CN;BVFWQKJZQVBRKG-UHFFFAOYSA-N;142.2;0.91;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_Na";;;;;;;0.87;;-3.38;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM406022;MM406022;CCC(=CC#CC#N)CF;OZZWDDIRMQRBOS-UHFFFAOYSA-N;137.16;1.82;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4_N0";;;;;;;2.5;;0.44;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM406023;MM406023;CC1(C)C(O)C1C1CC1;WVCNTYFBZMBWTP-UHFFFAOYSA-N;126.2;1.41;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNda_SC5";;;;;;;1.64;;0.05;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM406024;MM406024;C=CC#CC=C(CN)CN;AOBMSIZVWALFPZ-UHFFFAOYSA-N;136.2;0.02;;;;;DOPC;MDCG;27;1;"MARTINI bead: P3_C4";;;;;;;0.23;;-3.18;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM406025;MM406025;CCC(CF)ON=CC#N;ZAAXXQBEMYTTDW-UHFFFAOYSA-N;144.15;1.26;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4_P2";;;;;;;1.09;;-0.38;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM406026;MM406026;C=CC#CC=C(CO)CO;BWFBMBXQPTVSGO-UHFFFAOYSA-N;138.17;0.09;;;;;DOPC;MDCG;27;0;"MARTINI bead: P3_C4";;;;;;;0.23;;-1.03;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM406027;MM406027;O=CC=NOC(CO)CO;MRTZRTUCLPLAPQ-UHFFFAOYSA-N;147.13;-1.46;;;;;DOPC;MDCG;27;0;"MARTINI bead: P5_Na";;;;;;;-1.11;;-5.49;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM406028;MM406028;O=CC#CC=C(CO)CO;NKRUWSWQEUXKDZ-UHFFFAOYSA-N;140.14;-0.9;;;;;DOPC;MDCG;27;0;"MARTINI bead: P3_C5";;;;;;;-0.33;;-2.01;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM406029;MM406029;N#CC=NOC(CO)CF;VQYLCNKGTQXOSE-UHFFFAOYSA-N;146.12;-0.16;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_P2";;;;;;;-0.24;;-3.24;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM406030;MM406030;C=CC#CC=C(CO)CF;YKWZSWFPGCCSJV-UHFFFAOYSA-N;140.16;1.06;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda_N0";;;;;;;1.17;;-1.13;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM406031;MM406031;CCC(OC)ON=CC#N;AQUGNEBVRZISLX-UHFFFAOYSA-N;142.16;0.89;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_P1";;;;;;;0.81;;-0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM406032;MM406032;N#CC#CC=C(CF)CF;BUXHDBHEYRBXOH-UHFFFAOYSA-N;141.12;1.38;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_Na";;;;;;;0.87;;-2.22;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM406033;MM406033;C=CC1CCC(=C)C1O;MGIZEAZPZUKWEC-UHFFFAOYSA-N;124.18;1.5;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC2_SNda";;;;;;;2.83;;0.57;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM406034;MM406034;C=CC#CC=C(CC)OC;OCHGQADJRSHKIK-UHFFFAOYSA-N;136.19;2.12;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4_N0";;;;;;;2.5;;0.44;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM406035;MM406035;COC(CO)ON=CC=O;MWEDRTVIPVNFTL-UHFFFAOYSA-N;147.13;-0.85;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_P1";;;;;;;-1.06;;-3.82;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM406036;MM406036;CCC(=CC#CC=O)OC;IBJBOAGEOJNPFJ-UHFFFAOYSA-N;138.17;1.13;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4_P1";;;;;;;1.37;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM406037;MM406037;COC(CF)ON=CC=O;AJIAGLZVNQSVNN-UHFFFAOYSA-N;149.12;0.13;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_P2";;;;;;;-0.24;;-3.24;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM406038;MM406038;C=CC#CC=C(CO)OC;WHVUQSBBWZYBHD-UHFFFAOYSA-N;138.17;0.7;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda_N0";;;;;;;1.17;;-1.13;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM406039;MM406039;C=CC=CCN(CC)CC;SLIDVZJTSUXOKK-UHFFFAOYSA-N;139.24;2.07;;;;;DOPC;MDCG;27;1;"MARTINI bead: C5_C4";;;;;;;2.97;;0.44;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM406040;MM406040;C=CC#CC=C(CF)OC;SRIGQFQLUVSBHZ-UHFFFAOYSA-N;140.16;1.68;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_N0";;;;;;;1.94;;0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM406041;MM406041;CCN(CC)CC=CC=O;VIJCVSKJHQDHHZ-UHFFFAOYSA-N;141.21;1.08;;;;;DOPC;MDCG;27;1;"MARTINI bead: C5_Na";;;;;;;1.64;;-1.27;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM406042;MM406042;COC(=CC#CC=O)CF;ZVSDUCCAIMSJFB-UHFFFAOYSA-N;142.13;0.69;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_P1";;;;;;;0.81;;-0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM406043;MM406043;C=CC1(CO)CCCC1;LLUDFDHARYESKL-UHFFFAOYSA-N;126.2;1.73;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC5_SC4";;;;;;;2.97;;0.45;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM406044;MM406044;C#CC#CC=C(CC)CC;NIUBOMFXMLTYNS-UHFFFAOYSA-N;132.21;2.37;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1_N0";;;;;;;3.21;;0.46;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM406045;MM406045;C#CC=CCC(CC)CC;TXMXFCVSFOAPOK-UHFFFAOYSA-N;136.24;3;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1_C4";;;;;;;4.24;;0.42;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM406046;MM406046;C#CC=CCC(CC)CN;DYBQRWJHHGXJMS-UHFFFAOYSA-N;137.23;1.55;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_C4";;;;;;;2.2;;-2.22;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM406047;MM406047;C#CC#CC=C(CC)CN;SAHLDCCVZATNOG-UHFFFAOYSA-N;133.19;0.92;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_N0";;;;;;;1.17;;-3.26;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM406048;MM406048;CCC1(CO)C=CCC1;NRCAXCGCTJDPSI-UHFFFAOYSA-N;126.2;1.73;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC5_SC5";;;;;;;2.41;;0.64;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM406049;MM406049;C#CC#CC=C(CC)CO;KFTBFCOFYVTJOB-UHFFFAOYSA-N;134.18;0.95;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_N0";;;;;;;1.94;;0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM406050;MM406050;C#CC#CC=C(CC)CF;XSWRFOJTQBFSOG-UHFFFAOYSA-N;136.17;1.93;;;;;DOPC;MDCG;27;0;"MARTINI bead: C3_N0";;;;;;;2.87;;0.37;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM406051;MM406051;C#CC=CCC(CC)CF;LRKBCMPFOQFELT-UHFFFAOYSA-N;140.2;2.56;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4_C4";;;;;;;3.53;;0.53;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM406052;MM406052;C#CC#CC=C(CN)CN;FINMBFCDWUUTEF-UHFFFAOYSA-N;134.18;-0.53;;;;;DOPC;MDCG;27;1;"MARTINI bead: P3_C4";;;;;;;0.23;;-3.18;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM406053;MM406053;C#CC=CCC(CN)CN;OFKKSYLJYMNWIF-UHFFFAOYSA-N;138.21;0.1;;;;;DOPC;MDCG;27;1;"MARTINI bead: P3_C4";;;;;;;0.23;;-3.74;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM406054;MM406054;C#CC=CCC(CN)CF;GWFQFXZPEDSOOY-UHFFFAOYSA-N;141.19;1.11;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1_C4";;;;;;;1.37;;-2.65;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM406055;MM406055;C#CC#CC=C(CO)CF;ZBTDDANXCWVNOT-UHFFFAOYSA-N;138.14;0.51;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda_N0";;;;;;;1.17;;-1.13;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM406056;MM406056;C#CC=CCC(CO)CO;JRDSIQXUFRWZMG-UHFFFAOYSA-N;140.18;0.17;;;;;DOPC;MDCG;27;0;"MARTINI bead: P3_C4";;;;;;;0.23;;-1.03;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM406057;MM406057;C#CC#CC=C(CF)CF;JWPAZSQTHHLPKO-UHFFFAOYSA-N;140.13;1.49;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_N0";;;;;;;1.94;;0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM406058;MM406058;C#CC=CCC(CO)CF;YXQDVSXANIYZOT-UHFFFAOYSA-N;142.17;1.14;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_C4";;;;;;;1.37;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM406059;MM406059;C#CC#CC=C(CC)OC;RIRWAFCPZQVJGG-UHFFFAOYSA-N;134.18;1.56;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4_N0";;;;;;;2.5;;0.44;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM406061;MM406061;C#CC#CC=C(CO)OC;VYJXCUIDBYQROH-UHFFFAOYSA-N;136.15;0.15;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda_N0";;;;;;;1.17;;-1.13;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM406060;MM406060;C#CC=CCC(CC)NC;XOZSVUAZNOIXCG-UHFFFAOYSA-N;137.23;1.56;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_C4";;;;;;;2.2;;-2.67;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM406062;MM406062;C#CC=CCC(CN)NC;YZULPFOJSOVURF-UHFFFAOYSA-N;138.21;0.11;;;;;DOPC;MDCG;27;1;"MARTINI bead: P3_C4";;;;;;;0.23;;-3.73;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM406063;MM406063;C#CC#CC=C(CF)OC;DOSBXXFRIXDXGY-UHFFFAOYSA-N;138.14;1.12;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_N0";;;;;;;1.94;;0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM406064;MM406064;C#CC=CCC(CF)NC;UAIRFSSFQXQGLZ-UHFFFAOYSA-N;141.19;1.12;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1_C4";;;;;;;1.37;;-1.51;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM406065;MM406065;C=CC(=CC#CCC)CC;RYIADRYNWLXMNZ-UHFFFAOYSA-N;134.22;2.92;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_C1";;;;;;;3.68;;0.46;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM406066;MM406066;C#CC=CCC(CC)OC;WHGBOZASIHSSIA-UHFFFAOYSA-N;138.21;1.99;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_C4";;;;;;;2.2;;0.34;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM406067;MM406067;C=CC(=CC#CCN)CC;XUWHRKHVWKKSST-UHFFFAOYSA-N;135.21;1.47;;;;;DOPC;MDCG;27;1;"MARTINI bead: C1_P2";;;;;;;1.8;;-0.29;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM406068;MM406068;C#CC=CCC(CO)OC;NSMVHXHOSKOPPM-UHFFFAOYSA-N;140.18;0.57;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_C4";;;;;;;1.09;;-0.38;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM406069;MM406069;C=CC(=CC#CCO)CC;WOBFUZPJNHHUKZ-UHFFFAOYSA-N;136.19;1.5;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1_P2";;;;;;;1.8;;0.4;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM406070;MM406070;C#CC=CCC(CF)OC;MNERTAKVZYZGLO-UHFFFAOYSA-N;142.17;1.55;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_C4";;;;;;;2.2;;0.34;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM406071;MM406071;C=CC(=CC#CCF)CC;VFGSMRITZLFISS-UHFFFAOYSA-N;138.19;2.48;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1_Na";;;;;;;2.91;;0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM406072;MM406072;C#CC=CCC(OC)OC;ILLMPEBUWVDPLR-UHFFFAOYSA-N;140.18;1.18;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_C4";;;;;;;1.37;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM406073;MM406073;CCC#CC=C(C=O)CC;QEDVSPNUHYXSSR-UHFFFAOYSA-N;136.19;1.94;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_Na";;;;;;;1.64;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM406074;MM406074;C#CC=NNC(CC)CC;XBDZRFVPRPEJCW-UHFFFAOYSA-N;138.21;1.38;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1_P1";;;;;;;2.08;;0.48;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM406075;MM406075;CCC#CC=C(C#N)CC;FQKJWPWZWGOHDX-UHFFFAOYSA-N;133.19;2.26;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_C5";;;;;;;2.41;;0.64;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM406076;MM406076;C#CC=NNC(CC)CF;RTJNKRGAVORCHK-UHFFFAOYSA-N;142.18;0.94;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4_P1";;;;;;;1.37;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM406077;MM406077;CCC(C#N)=CC#CCO;IQDAOBHICCIATI-UHFFFAOYSA-N;135.17;0.84;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_P2";;;;;;;0.54;;-1.09;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM406078;MM406078;C#CC=NNC(CN)CN;TUAIQASSXHNICT-UHFFFAOYSA-N;140.19;-1.52;;;;;DOPC;MDCG;27;1;"MARTINI bead: P2_P2";;;;;;;-1.34;;-5.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM406079;MM406079;CCC(C#N)=CC#CCF;GYKTUZBZQWOOKF-UHFFFAOYSA-N;137.16;1.82;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_Na";;;;;;;1.64;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM406080;MM406080;C#CC=NNC(CN)CO;VWLZNJIYQVJTEZ-UHFFFAOYSA-N;141.17;-1.49;;;;;DOPC;MDCG;27;1;"MARTINI bead: P2_P1";;;;;;;-1.06;;-5.09;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM406081;MM406081;C=CC(=CC#CCC)CN;PYJCLYJFYCBGFR-UHFFFAOYSA-N;135.21;1.47;;;;;DOPC;MDCG;27;1;"MARTINI bead: C5_Nd";;;;;;;1.64;;-2.07;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM406082;MM406082;C#CC=COC(CC)CC;YRORIZPQVZKDDW-UHFFFAOYSA-N;138.21;2.34;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1_Na";;;;;;;2.91;;0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM406083;MM406083;C=CC(=CC#CCO)CN;KIEFAPKTWJEXLC-UHFFFAOYSA-N;137.18;0.05;;;;;DOPC;MDCG;27;1;"MARTINI bead: N0_P1";;;;;;;0.34;;-3.71;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM406084;MM406084;C#CC=COC(CC)CO;VIZNRHFJPJNLGU-UHFFFAOYSA-N;140.18;0.92;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda_Na";;;;;;;0.87;;-1.99;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM406085;MM406085;C=CC(=CC#CCF)CN;BFMPDYKWJCIPCX-UHFFFAOYSA-N;139.17;1.03;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_Na";;;;;;;0.87;;-4.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM406086;MM406086;C#CC=COC(CN)CO;NGBMLWUWXBHUQL-UHFFFAOYSA-N;141.17;-0.53;;;;;DOPC;MDCG;27;1;"MARTINI bead: P2_Na";;;;;;;-0.24;;-4.93;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM406087;MM406087;C=CC(=CC#CCC)CO;CIFJQWNVGQBDIX-UHFFFAOYSA-N;136.19;1.5;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_Nda";;;;;;;1.64;;0.05;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM406088;MM406088;C#CC=COC(CC)OC;LACGCHRQPOBQFN-UHFFFAOYSA-N;140.18;1.53;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_Na";;;;;;;0.87;;-2.22;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM406089;MM406089;C=CC(=CC#CCF)CO;WLVBXJXCHYTXOX-UHFFFAOYSA-N;140.16;1.06;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda_Na";;;;;;;0.87;;-1.99;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM406090;MM406090;C#CC=COC(CN)OC;HDRUSHBPKVSROB-UHFFFAOYSA-N;141.17;0.08;;;;;DOPC;MDCG;27;1;"MARTINI bead: P2_Na";;;;;;;-0.24;;-4.55;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM406091;MM406091;CCC#CC=C(C#N)CO;KVUYNCMZYJNHGD-UHFFFAOYSA-N;135.17;0.84;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_P1";;;;;;;0.81;;-0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM406092;MM406092;C#CC=NOC(CC)CC;ISFRAYMAUUTILB-UHFFFAOYSA-N;139.2;1.81;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1_P1";;;;;;;2.08;;0.48;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM406093;MM406093;O=CC(=CC#CCO)CO;BWIQNEBOPIBOEO-UHFFFAOYSA-N;140.14;-0.9;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda_P2";;;;;;;-0.24;;-3.31;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM406094;MM406094;N#CC1=CC(C=O)NC1;ANLCIPYXVPPMOK-UHFFFAOYSA-N;122.13;-0.39;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP2_SP1";;;;;;;-1.06;;-3.82;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM406095;MM406095;N#CC(=CC#CCO)CO;UTBWLTOUCUQIAC-UHFFFAOYSA-N;137.14;-0.58;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda_P2";;;;;;;-0.24;;-3.31;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM406096;MM406096;C#CC=NOC(CN)CO;JLHPWRRMEULWDD-UHFFFAOYSA-N;142.16;-1.06;;;;;DOPC;MDCG;27;1;"MARTINI bead: P2_P1";;;;;;;-1.06;;-4.95;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM406097;MM406097;O=CC(=CC#CCF)CO;RDNUPKJKGKAWSW-UHFFFAOYSA-N;142.13;0.08;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_C5";;;;;;;0.54;;-1.09;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM406098;MM406098;CCNN=c1ocno1;KPYVODWXBVJTPG-UHFFFAOYSA-N;129.12;-0.31;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_SP2";;;;;;;-1.06;;-3.82;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM406099;MM406099;C=CC(=CC#CCC)CF;BVJZZFWWPXJTGX-UHFFFAOYSA-N;138.19;2.48;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_C4";;;;;;;2.97;;0.45;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM406100;MM406100;C#CC=CCN(CC)CC;RAGDWQAVQCTBGT-UHFFFAOYSA-N;137.23;1.52;;;;;DOPC;MDCG;27;1;"MARTINI bead: C5_N0";;;;;;;1.94;;-0.73;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM406101;MM406101;C=CC(=CC#CCN)CF;CQFJVTXMAYULTA-UHFFFAOYSA-N;139.17;1.03;;;;;DOPC;MDCG;27;1;"MARTINI bead: P2_C4";;;;;;;1.09;;-1.68;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM406102;MM406102;C=CC(CC)CC=CCC;DXYBMKOHVHUXNV-UHFFFAOYSA-N;138.25;3.55;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1_C1";;;;;;;4.95;;0.69;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM406103;MM406103;C=CC(=CC#CCO)CF;PQPGFIOHAIPYQF-UHFFFAOYSA-N;140.16;1.06;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_C4";;;;;;;1.09;;-0.38;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM406104;MM406104;C=CC(CC)CC=CCN;UNIHLYIDWKQJSP-UHFFFAOYSA-N;139.24;2.1;;;;;DOPC;MDCG;27;1;"MARTINI bead: C1_Nd";;;;;;;2.91;;-0.08;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM406105;MM406105;C=CC(=CC#CCF)CF;GPRVTUJWRZZQCA-UHFFFAOYSA-N;142.15;2.04;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_C4";;;;;;;2.2;;0.34;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM406106;MM406106;C=CC(CC)CC=CCO;MKMMEKULYRYXGK-UHFFFAOYSA-N;140.23;2.14;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1_Nda";;;;;;;2.91;;0.57;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM406107;MM406107;CCC#CC=C(C=O)CF;SBUQGKOVHCRHEQ-UHFFFAOYSA-N;140.16;1.49;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_Na";;;;;;;1.64;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM406108;MM406108;C=CC(CC)CC=CCF;AEQPVADZRBEXRJ-UHFFFAOYSA-N;142.22;3.11;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1_Na";;;;;;;2.91;;0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM406109;MM406109;CCC#CC=C(C#N)CF;IWICSWPHFFSGRL-UHFFFAOYSA-N;137.16;1.82;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_Na";;;;;;;1.64;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM406110;MM406110;CCC=CCC(C=O)CC;HTYISWNPJNVNLJ-UHFFFAOYSA-N;140.23;2.57;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1_C5";;;;;;;3.68;;0.46;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM406111;MM406111;O=CC(=CC#CCF)CF;RVWBGABIGRKWHS-UHFFFAOYSA-N;144.12;1.05;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_Na";;;;;;;0.87;;-2.22;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM406112;MM406112;CCC=CCC(C#N)CC;NDOAZMXMEZKHBP-UHFFFAOYSA-N;137.23;2.89;;;;;DOPC;MDCG;27;0;"MARTINI bead: C3_C5";;;;;;;3.34;;0.48;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM406113;MM406113;N#CC(=CC#CCF)CF;TVKQVGHINJFFBC-UHFFFAOYSA-N;141.12;1.38;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_Na";;;;;;;0.87;;-2.22;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM406114;MM406114;CCC(C=O)CC=CCO;ILNMVVDTCQAFAO-UHFFFAOYSA-N;142.2;1.15;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_Nda";;;;;;;1.64;;0.05;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM406115;MM406115;C=CC(=CC#CCC)OC;TZOOHQLHVLSRBK-UHFFFAOYSA-N;136.19;2.12;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_C4";;;;;;;2.97;;0.45;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM406116;MM406116;CCC(C#N)CC=CCO;SFGRZKVSLGTDDP-UHFFFAOYSA-N;139.2;1.47;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_Nda";;;;;;;1.64;;0.05;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM406117;MM406117;C=CC(=CC#CCN)OC;VAHKXBYJKQYEQN-UHFFFAOYSA-N;137.18;0.66;;;;;DOPC;MDCG;27;1;"MARTINI bead: C4_P2";;;;;;;1.09;;-1.64;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM406118;MM406118;CCC(C=O)CC=CCF;OXTUQBCSXQLWLN-UHFFFAOYSA-N;144.19;2.13;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_Na";;;;;;;1.64;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM406119;MM406119;C=CC(=CC#CCO)OC;DCCCBELQHGSSIA-UHFFFAOYSA-N;138.17;0.7;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4_P2";;;;;;;1.09;;-0.38;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM406120;MM406120;CCC(C#N)CC=CCF;YDKPSLWSSQLULK-UHFFFAOYSA-N;141.19;2.45;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_Na";;;;;;;1.64;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM406121;MM406121;C=CC(=CC#CCF)OC;NINPIRFBGQEBJI-UHFFFAOYSA-N;140.16;1.68;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4_Na";;;;;;;2.2;;0.34;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM406122;MM406122;C=CC(CN)CC=CCC;PLIJDBZBLCYASY-UHFFFAOYSA-N;139.24;2.1;;;;;DOPC;MDCG;27;1;"MARTINI bead: C1_Nd";;;;;;;2.91;;-0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM406123;MM406123;CCC#CC=C(C=O)OC;OSIQWUOXDXJOCU-UHFFFAOYSA-N;138.17;1.13;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_Na";;;;;;;1.64;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM406124;MM406124;C=CC(CN)CC=CCO;RSJPFEQJWGKASH-UHFFFAOYSA-N;141.21;0.69;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_Nda";;;;;;;0.87;;-4.68;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM406125;MM406125;CCC#CC=C(C#N)OC;VEDMBUJIDWCAJE-UHFFFAOYSA-N;135.17;1.45;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_Na";;;;;;;1.64;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM406126;MM406126;C=CC(CN)CC=CCF;LCEUOJLHMBXCMA-UHFFFAOYSA-N;143.21;1.66;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_C4";;;;;;;2.2;;-2.18;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM406127;MM406127;COC(C=O)=CC#CCF;YXJPBGKRLZHDPZ-UHFFFAOYSA-N;142.13;0.69;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_Na";;;;;;;0.87;;-2.22;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM406128;MM406128;CCC#CCCC(C)(C)O;QEHRVMKIQGYFFR-UHFFFAOYSA-N;140.23;1.95;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1_Nda";;;;;;;2.91;;0.57;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM406129;MM406129;COC(C#N)=CC#CCF;FFKBNCMTGDERKR-UHFFFAOYSA-N;139.13;1.01;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_Na";;;;;;;0.87;;-2.22;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM406130;MM406130;C=CC(CO)CC=CCN;GINAJJALZSUICQ-UHFFFAOYSA-N;141.21;0.69;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_Nda";;;;;;;0.87;;-4.16;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM406131;MM406131;C=CC#CC=C(C=C)CC;NIAXCZIIVANDBI-UHFFFAOYSA-N;132.21;2.7;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1_N0";;;;;;;3.21;;0.46;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM406132;MM406132;CCC=CCC(C=O)CO;KDKVGVNSPUAKSF-UHFFFAOYSA-N;142.2;1.15;;;;;DOPC;MDCG;27;0;"MARTINI bead: C3_P2";;;;;;;1.46;;-0.15;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM406133;MM406133;C=CC(=CC#CC=O)CC;VLAMTLRGURWWPT-UHFFFAOYSA-N;134.18;1.71;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1_P1";;;;;;;2.08;;0.48;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM406134;MM406134;CCC=CCC(C#N)CO;VAZRGJNFIPUROA-UHFFFAOYSA-N;139.2;1.47;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1_P2";;;;;;;1.8;;0.4;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM406135;MM406135;C=CC(=CC#CC#N)CC;XKJSWLHNLWUXBP-UHFFFAOYSA-N;131.18;2.04;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1_N0";;;;;;;3.21;;0.46;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM406136;MM406136;O=CC(CO)CC=CCO;XVHLLQNLQYJPFS-UHFFFAOYSA-N;144.17;-0.27;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda_P2";;;;;;;-0.24;;-3.31;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM406137;MM406137;C=CC#CC=C(C=O)CC;CDWDDLRYCNJVDQ-UHFFFAOYSA-N;134.18;1.71;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_N0";;;;;;;1.17;;-1.18;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM406138;MM406138;N#CC(CO)CC=CCO;KMSKJKGCECSDKN-UHFFFAOYSA-N;141.17;0.06;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda_P2";;;;;;;-0.24;;-3.31;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM406139;MM406139;C=CC#CC=C(C#N)CC;RVKPXPQJJLQLCK-UHFFFAOYSA-N;131.18;2.04;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_N0";;;;;;;1.94;;0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM406140;MM406140;C=CC(CF)CC=CCN;HKKUNTBLVHEDHV-UHFFFAOYSA-N;143.21;1.66;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_C5";;;;;;;1.64;;-2.14;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM406141;MM406141;CCC(C#N)=CC#CC=O;JGBRDVGXSWGAGJ-UHFFFAOYSA-N;133.15;1.05;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_P1";;;;;;;0.81;;-0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM406142;MM406142;C=CC(CF)CC=CCO;CADUOWPERGXIEJ-UHFFFAOYSA-N;144.19;1.7;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda_C5";;;;;;;1.64;;0.05;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM406143;MM406143;CCC(C=O)=CC#CC#N;QPOTWGWGTUEKCA-UHFFFAOYSA-N;133.15;1.05;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_N0";;;;;;;1.17;;-1.18;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM406144;MM406144;CCC=CCC(C=O)CF;HEYKMACMKIICAK-UHFFFAOYSA-N;144.19;2.13;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1_P1";;;;;;;2.08;;0.48;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM406145;MM406145;C=CC#CC=C(C=C)CN;QXJCEZHEGMDTND-UHFFFAOYSA-N;133.19;1.25;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_N0";;;;;;;1.17;;-3.22;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM406146;MM406146;CCC=CCC(C#N)CF;BRUNNRRPCCLSNC-UHFFFAOYSA-N;141.19;2.45;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1_Na";;;;;;;2.91;;0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM406147;MM406147;C=CC#CC=C(C=C)CO;DHQVRAUUGUFIAY-UHFFFAOYSA-N;134.18;1.28;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda_N0";;;;;;;1.17;;-1.13;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM406148;MM406148;O=CC(CF)CC=CCF;CTFVDJKFCLHXQH-UHFFFAOYSA-N;148.15;1.69;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4_P1";;;;;;;1.37;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM406149;MM406149;C=CC#CC=C(C#N)CO;ITPLUTAWYFDOTD-UHFFFAOYSA-N;133.15;0.62;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_N0";;;;;;;0.34;;-1.53;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM406150;MM406150;C=CC(CC)CC=COC;UKGSZQQVSQEUEX-UHFFFAOYSA-N;140.23;2.75;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1_C5";;;;;;;3.68;;0.46;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM406151;MM406151;O=CC#CC=C(C=O)CO;JLYQELZNFVRPHN-UHFFFAOYSA-N;138.12;-0.69;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_C5";;;;;;;0.54;;-1.09;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM406152;MM406152;CCC(C=O)CC=COC;TUHHKGCWLKFMJX-UHFFFAOYSA-N;142.2;1.76;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_C5";;;;;;;2.41;;0.64;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM406153;MM406153;N#CC#CC=C(C#N)CO;TVJGHKUKJQMQSS-UHFFFAOYSA-N;132.12;-0.04;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda_P2";;;;;;;-0.24;;-3.31;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM406154;MM406154;CCC(C#N)CC=COC;NKOOMVRUBKWBTL-UHFFFAOYSA-N;139.2;2.09;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_Na";;;;;;;1.64;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM406155;MM406155;C=CC#CC=C(C=C)CF;QLDCYTIKPRHWRT-UHFFFAOYSA-N;136.17;2.26;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4_N0";;;;;;;2.5;;0.44;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM406156;MM406156;C=CC(CN)CC=COC;XKICERYSLROTTI-UHFFFAOYSA-N;141.21;1.3;;;;;DOPC;MDCG;27;1;"MARTINI bead: Na_Nd";;;;;;;0.87;;-4.64;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM406157;MM406157;C=CC(C)CC(O)C(=C)C;SJEVCZYLSKBKAK-UHFFFAOYSA-N;140.23;2.14;;;;;DOPC;MDCG;27;0;"MARTINI bead: C3_N0";;;;;;;2.87;;0.37;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM406158;MM406158;C=CC(=CC#CC=O)CF;LUNMGQQGXNTOEL-UHFFFAOYSA-N;138.14;1.27;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4_P1";;;;;;;1.37;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM406159;MM406159;C=CC(=CC#CC#N)CF;ABNLMNWMPVBNRW-UHFFFAOYSA-N;135.14;1.6;;;;;DOPC;MDCG;27;0;"MARTINI bead: N0_Na";;;;;;;1.17;;-1.18;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM406160;MM406160;COC=CCC(C#N)CO;SLCAHVZKOCXDQH-UHFFFAOYSA-N;141.17;0.67;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_P2";;;;;;;0.54;;-1.09;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM406161;MM406161;C=CC#CC=C(C=O)CF;SPVPWOUZUZAWDF-UHFFFAOYSA-N;138.14;1.27;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_N0";;;;;;;1.17;;-1.18;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM406162;MM406162;C=CC(CF)CC=COC;QKJHGIUCSIPXPW-UHFFFAOYSA-N;144.19;2.31;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_C4";;;;;;;2.2;;0.34;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM406163;MM406163;C=CC#CC=C(C#N)CF;JECVQXWLPBDVHC-UHFFFAOYSA-N;135.14;1.6;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_N0";;;;;;;1.17;;-1.18;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM406164;MM406164;COC=CCC(C=O)CF;RKVNHPAFLOXLTP-UHFFFAOYSA-N;146.16;1.32;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_P1";;;;;;;0.81;;-0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM406165;MM406165;N#CC#CC=C(C=O)CF;OBKQZLZWCYTVSC-UHFFFAOYSA-N;137.11;0.61;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_N0";;;;;;;1.17;;-1.18;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM406166;MM406166;CCC(C#N)CC=NNC;NOQSOTAPCWRBEQ-UHFFFAOYSA-N;139.2;1.13;;;;;DOPC;MDCG;27;0;"MARTINI bead: N0_Nd";;;;;;;1.17;;-1.04;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM406167;MM406167;C=CC#CC=C(C=C)OC;CASQDPNYAWAOGT-UHFFFAOYSA-N;134.18;1.89;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4_N0";;;;;;;2.5;;0.44;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM406168;MM406168;CC(C)CCC1(O)CC1C;HWFZCCJUYRICHN-UHFFFAOYSA-N;142.24;2.19;;;;;DOPC;MDCG;27;0;"MARTINI bead: C3_SNda";;;;;;;2.57;;0.44;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM406169;MM406169;C=CC(=CC#CC=O)OC;ATLYRIAYMNIOTF-UHFFFAOYSA-N;136.15;0.91;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4_P1";;;;;;;1.37;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM406170;MM406170;CCC1(O)CC1CC(C)C;WWPUVLQVMHZXBO-UHFFFAOYSA-N;142.24;2.19;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNda_C3";;;;;;;2.57;;0.44;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM406171;MM406171;C=CC#CC=C(C=O)OC;JOTKOWYRPKVBCL-UHFFFAOYSA-N;136.15;0.91;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_N0";;;;;;;1.17;;-1.18;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM406172;MM406172;C=CC(CF)CC=NNC;XCUYKDAWTLTERW-UHFFFAOYSA-N;144.19;1.35;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_C4";;;;;;;1.09;;-0.38;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM406173;MM406173;C=CC#CC=C(C#N)OC;IXTISNJGCLWWBW-UHFFFAOYSA-N;133.15;1.23;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_N0";;;;;;;1.17;;-1.18;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM406174;MM406174;C=CC(CC)CC=NOC;BVUYZKKRWUZPNJ-UHFFFAOYSA-N;141.21;2.22;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1_Na";;;;;;;2.91;;0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM406175;MM406175;COC(C=O)=CC#CC=O;VVDSPQOSGYELTP-UHFFFAOYSA-N;138.12;-0.08;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_C5";;;;;;;0.81;;-0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM406176;MM406176;CCC(C#N)CC=NOC;FPPHJDASCRZPDE-UHFFFAOYSA-N;140.19;1.56;;;;;DOPC;MDCG;27;0;"MARTINI bead: N0_Na";;;;;;;1.17;;-1.18;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM406177;MM406177;COC(C#N)=CC#CC=O;GYPZJDBWOBGIDN-UHFFFAOYSA-N;135.12;0.24;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_P1";;;;;;;0.81;;-0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM406178;MM406178;C=CC(CN)CC=NOC;VNUIDJZBVBMASY-UHFFFAOYSA-N;142.2;0.77;;;;;DOPC;MDCG;27;1;"MARTINI bead: P2_C5";;;;;;;0.54;;-3.83;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM406179;MM406179;COC(C=O)=CC#CC#N;BYVLSSOJCHXFFA-UHFFFAOYSA-N;135.12;0.24;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_N0";;;;;;;1.17;;-1.18;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM406180;MM406180;CC1CC(CO)(C(C)C)C1;YDFNJNNMBVDXTO-UHFFFAOYSA-N;142.24;2.05;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC5_SC4";;;;;;;2.97;;0.45;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM406181;MM406181;C#CC#CC=C(C=C)CC;JJYJOQWHZMIFDG-UHFFFAOYSA-N;130.19;2.15;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1_N0";;;;;;;3.21;;0.46;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM406182;MM406182;C=CC(CF)CC=NOC;IKOSACOHCHADAP-UHFFFAOYSA-N;145.18;1.78;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_C5";;;;;;;1.64;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM406183;MM406183;C#CC#CC=C(C=O)CC;HEJIZBNIYXUIQR-UHFFFAOYSA-N;132.16;1.16;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_C4";;;;;;;2.97;;0.45;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM406184;MM406184;C=CC(CC=CCC)NC;KGVSLGBBSAZRSO-UHFFFAOYSA-N;139.24;2.12;;;;;DOPC;MDCG;27;1;"MARTINI bead: C1_Nd";;;;;;;2.91;;-0.25;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM406185;MM406185;C#CC#CC=C(C#N)CC;WWQABEPFLHMWMY-UHFFFAOYSA-N;129.16;1.48;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_N0";;;;;;;1.94;;0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM406186;MM406186;C=CC(CC=CCN)NC;WGHIDQISGYUNCC-UHFFFAOYSA-N;140.23;0.67;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_Nd";;;;;;;0.87;;-4.78;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM406187;MM406187;C#CC#CC=C(C=C)CN;BMWOSGVVZWXPSP-UHFFFAOYSA-N;131.18;0.69;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_N0";;;;;;;1.17;;-3.22;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM406188;MM406188;C=CC(CC=CCO)NC;DAKMQBZEHHAVEF-UHFFFAOYSA-N;141.21;0.7;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_Nda";;;;;;;0.87;;-4.37;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM406189;MM406189;C#CC#CC=C(C=C)CO;FNTADVOGOALSLS-UHFFFAOYSA-N;132.16;0.73;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda_N0";;;;;;;1.17;;-1.13;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM406190;MM406190;C=CC(CC=CCF)NC;HWOAVIXFWCDKJJ-UHFFFAOYSA-N;143.21;1.68;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_Na";;;;;;;0.87;;-4.34;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM406191;MM406191;C#CC#CC=C(C#N)CO;OQKPUBWBXXNVNT-UHFFFAOYSA-N;131.13;0.07;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_N0";;;;;;;0.34;;-1.53;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM406192;MM406192;CCC=CCC(C=O)NC;ZNVUHTJQZWJWKA-UHFFFAOYSA-N;141.21;1.13;;;;;DOPC;MDCG;27;1;"MARTINI bead: C1_P2";;;;;;;1.8;;-0.16;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM406193;MM406193;C#CC#CC=C(C=C)CF;DCEATDXBGUYVJF-UHFFFAOYSA-N;134.15;1.7;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4_N0";;;;;;;2.5;;0.44;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM406194;MM406194;CNC(C=O)CC=CCO;ROIKKYWRXPDRHP-UHFFFAOYSA-N;143.19;-0.29;;;;;DOPC;MDCG;27;1;"MARTINI bead: P2_Nda";;;;;;;-0.24;;-4.5;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM406195;MM406195;C#CC#CC=C(C=O)CF;PFKMQKNBZGRFTC-UHFFFAOYSA-N;136.13;0.72;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_N0";;;;;;;1.17;;-1.18;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM406196;MM406196;C=CC(CC=COC)NC;ACVSVGXZTDUSBJ-UHFFFAOYSA-N;141.21;1.31;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_C5";;;;;;;1.64;;-2.35;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM406197;MM406197;C#CC#CC=C(C#N)CF;HFKZDVMKZKSHDA-UHFFFAOYSA-N;133.13;1.04;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_N0";;;;;;;1.17;;-1.18;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM406198;MM406198;C=CC(CC=NOC)NC;WQQATEMTQXOBQC-UHFFFAOYSA-N;142.2;0.78;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_Na";;;;;;;0.87;;-3.85;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM406199;MM406199;C#CC#CC=C(C=C)OC;CJUWXVWVEKKIJL-UHFFFAOYSA-N;132.16;1.34;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4_N0";;;;;;;2.5;;0.44;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM406200;MM406200;C=CC(CC=CCC)OC;JMOWECNNIFPDRU-UHFFFAOYSA-N;140.23;2.54;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1_Na";;;;;;;2.91;;0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM406201;MM406201;C#CC#CC=C(C=O)OC;VRNTWVIXFPGVLU-UHFFFAOYSA-N;134.13;0.35;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_N0";;;;;;;1.17;;-1.18;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM406202;MM406202;C=CC(CC=CCN)OC;ZBFLUFBGAQSRSF-UHFFFAOYSA-N;141.21;1.09;;;;;DOPC;MDCG;27;1;"MARTINI bead: Na_Nd";;;;;;;0.87;;-4.13;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM406203;MM406203;C#CC#CC=C(C#N)OC;JUOCNXVNLVRCDP-UHFFFAOYSA-N;131.13;0.68;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_N0";;;;;;;1.17;;-1.18;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM406204;MM406204;C=CC(CC=CCO)OC;ZSIJUBKEPIAEDW-UHFFFAOYSA-N;142.2;1.13;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_Nda";;;;;;;0.87;;-1.99;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM406205;MM406205;C#CC(=CC#CCC)CC;YPXOOAFDTFNSPY-UHFFFAOYSA-N;132.21;2.37;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_C4";;;;;;;2.97;;0.45;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM406206;MM406206;CCC=CCC(C=O)OC;WYSSLVXEPWGNPE-UHFFFAOYSA-N;142.2;1.56;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1_P1";;;;;;;2.08;;0.48;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM406207;MM406207;C#CC(=CC#CCN)CC;DMYJSJXQJPDVBD-UHFFFAOYSA-N;133.19;0.92;;;;;DOPC;MDCG;27;1;"MARTINI bead: C4_P2";;;;;;;1.09;;-1.67;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM406208;MM406208;CCC=CCC(C#N)OC;LCTYTSGKGCJXPJ-UHFFFAOYSA-N;139.2;1.88;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1_P1";;;;;;;2.08;;0.48;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM406209;MM406209;C#CC(=CC#CCO)CC;JOHNZZOJEWMJHM-UHFFFAOYSA-N;134.18;0.95;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4_P2";;;;;;;1.09;;-0.38;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM406210;MM406210;COC(C#N)CC=CCF;QRGDWHXKGUCQFV-UHFFFAOYSA-N;143.16;1.44;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_Na";;;;;;;0.87;;-2.22;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM406211;MM406211;C#CC(=CC#CCF)CC;YBEUVAPVIPOLAV-UHFFFAOYSA-N;136.17;1.93;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4_Na";;;;;;;2.2;;0.34;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM406212;MM406212;C=CC(CC=COC)OC;LQTRUKLKRBVVKV-UHFFFAOYSA-N;142.2;1.74;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_C5";;;;;;;1.64;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM406213;MM406213;C#CC(=CC#CCC)CN;BESWPJIGKOMXQO-UHFFFAOYSA-N;133.19;0.92;;;;;DOPC;MDCG;27;1;"MARTINI bead: C5_Nd";;;;;;;1.64;;-1.64;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM406214;MM406214;C=CC(CC=NNC)OC;AQDXLSOUJWXURR-UHFFFAOYSA-N;142.2;0.78;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_C5";;;;;;;0.54;;-1.09;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM406215;MM406215;C#CC(=CC#CCF)CN;FOHXTBXPKVDIJO-UHFFFAOYSA-N;137.16;0.48;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_Na";;;;;;;0.87;;-3.62;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM406216;MM406216;CON=CCC(C#N)OC;CTRZEIOWSCEPEY-UHFFFAOYSA-N;142.16;0.55;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_Na";;;;;;;0.04;;-2.54;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM406217;MM406217;C#CC(=CC#CCC)CO;VAPLUAIMODSGRL-UHFFFAOYSA-N;134.18;0.95;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_Nda";;;;;;;1.64;;0.05;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM406218;MM406218;C=CC(CC)NC=NCC;OJXMBJGURBHXKV-UHFFFAOYSA-N;140.23;1.59;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_C1";;;;;;;2.91;;-0.58;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM406219;MM406219;C#CC(=CC#CCF)CO;JJYCTPCZVSMZFK-UHFFFAOYSA-N;138.14;0.51;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda_Na";;;;;;;0.87;;-1.99;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM406220;MM406220;CCN=CNC(C=O)CC;WRYMNHXLCOEYIW-UHFFFAOYSA-N;142.2;0.6;;;;;DOPC;MDCG;27;1;"MARTINI bead: C5_P2";;;;;;;0.54;;-3;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM406221;MM406221;C#CC(=CC#CCC)CF;IJNPVCZSKFMIQZ-UHFFFAOYSA-N;136.17;1.93;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_C5";;;;;;;2.41;;0.64;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM406222;MM406222;CCN=CNC(C#N)CC;DBESSAXUKHZTEG-UHFFFAOYSA-N;139.2;0.93;;;;;DOPC;MDCG;27;1;"MARTINI bead: C5_P1";;;;;;;0.81;;-1.56;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM406223;MM406223;C#CC(=CC#CCN)CF;UIGXOLDTLHPFKC-UHFFFAOYSA-N;137.16;0.48;;;;;DOPC;MDCG;27;1;"MARTINI bead: P2_C5";;;;;;;0.54;;-2.4;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM406224;MM406224;C=CC(CF)NC=NCC;GKRDIJWTVJEWSS-UHFFFAOYSA-N;144.19;1.15;;;;;DOPC;MDCG;27;1;"MARTINI bead: C5_P1";;;;;;;0.81;;-2.62;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM406225;MM406225;C#CC(=CC#CCF)CF;ILFPANQDVTVWEB-UHFFFAOYSA-N;140.13;1.49;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_C5";;;;;;;1.64;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM406226;MM406226;N=c1nnc(=O)oc(N)n1;ZOUAHPYDUFQWQA-UHFFFAOYSA-N;141.09;-2.11;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP3_SP3";;;;;;;-3.07;;-6.15;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM406227;MM406227;C#CC(=CC#CCC)OC;DQFNZFZYRVEKRK-UHFFFAOYSA-N;134.18;1.56;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_Na";;;;;;;1.64;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM406228;MM406228;C=NN=CNC(=C)OC=O;CCCUHVQZANZOEX-UHFFFAOYSA-N;141.13;-0.14;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nd_Na";;;;;;;0.87;;-1.88;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM406229;MM406229;C#CC(=CC#CCN)OC;RMHZUMPPDBJHTP-UHFFFAOYSA-N;135.17;0.11;;;;;DOPC;MDCG;27;1;"MARTINI bead: Na_Nd";;;;;;;0.87;;-3.17;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM406230;MM406230;C=CC=NNC(=N)C(C)=O;QMEHOEITUJQOGR-UHFFFAOYSA-N;139.16;0.31;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_Nd";;;;;;;0.87;;-1.88;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM406231;MM406231;C#CC(=CC#CCO)OC;WHKUXKASHVBESA-UHFFFAOYSA-N;136.15;0.15;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda_Na";;;;;;;0.87;;-1.99;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM406232;MM406232;C=CC(CC)NN=CCC;DVRIUQQHMDROOK-UHFFFAOYSA-N;140.23;1.94;;;;;DOPC;MDCG;27;0;"MARTINI bead: N0_Nd";;;;;;;1.17;;-1.04;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM406233;MM406233;C#CC(=CC#CCF)OC;IPDUUGNYLDIBCF-UHFFFAOYSA-N;138.14;1.12;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_Na";;;;;;;1.64;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM406234;MM406234;C=COC(=NNC)C(=C)F;XITSFIXGBUDYEX-UHFFFAOYSA-N;144.15;1.16;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda_C5";;;;;;;1.64;;0.05;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM406235;MM406235;C#CC(=CC#CC=C)CC;KSZSOITVNCHVRG-UHFFFAOYSA-N;130.19;2.15;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4_N0";;;;;;;2.5;;0.44;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM406236;MM406236;C#CC(C)C(C)(C=C)CO;PGSRHTUPALEEQS-UHFFFAOYSA-N;138.21;1.44;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_Nda";;;;;;;1.64;;0.05;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM406237;MM406237;C#CC(=CC#CC=O)CC;CEHYPBBYTWILHQ-UHFFFAOYSA-N;132.16;1.16;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4_P1";;;;;;;1.37;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM406238;MM406238;C=CC(C)(CO)C(=C)CC;LRMXIKZLMJUKRV-UHFFFAOYSA-N;140.23;2.14;;;;;DOPC;MDCG;27;0;"MARTINI bead: C3_Nda";;;;;;;2.57;;0.44;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM406239;MM406239;C#CC(=CC#CC#N)CC;XBTORPOBXQJFNZ-UHFFFAOYSA-N;129.16;1.48;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4_N0";;;;;;;2.5;;0.44;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM406240;MM406240;C=CC(CN)NN=CCN;UWGCVBZKDQNIAL-UHFFFAOYSA-N;142.21;-0.97;;;;;DOPC;MDCG;27;1;"MARTINI bead: P3_Nd";;;;;;;-1.1;;-5.57;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM406241;MM406241;C#CC(=CC#CC=C)CN;JTBDBPDOAHNXFL-UHFFFAOYSA-N;131.18;0.69;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_N0";;;;;;;1.17;;-2.78;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM406242;MM406242;C=CC(C=C)(CO)CCC;ABMAQCRRCFXBPD-UHFFFAOYSA-N;140.23;2.14;;;;;DOPC;MDCG;27;0;"MARTINI bead: C3_C5";;;;;;;3.34;;0.48;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM406243;MM406243;C#CC(=CC#CC=C)CO;ZXVZHDYTKGLQIM-UHFFFAOYSA-N;132.16;0.73;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda_N0";;;;;;;1.17;;-1.13;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM406244;MM406244;C=CC(C)C(=C)C(O)CC;UFNYCDZMLVPNIY-UHFFFAOYSA-N;140.23;2.14;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_C3";;;;;;;3.34;;0.48;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM406245;MM406245;C#CC(=CC#CC=C)CF;WOBHXEKWIZDHGD-UHFFFAOYSA-N;134.15;1.7;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_N0";;;;;;;1.94;;0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM406246;MM406246;C=CC(C)=C(C)C(O)CC;UONYJNLLWCWCFV-UHFFFAOYSA-N;140.23;2.28;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda_C1";;;;;;;2.91;;0.57;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM406247;MM406247;C#CC(=CC#CC#N)CF;WPXDEJODYANHNK-UHFFFAOYSA-N;133.13;1.04;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_N0";;;;;;;1.94;;0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM406248;MM406248;C#CC(F)C(=C)OC=NN;BHFPCMSAFWZKIH-UHFFFAOYSA-N;142.13;0.39;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda_Na";;;;;;;0.87;;-1.99;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM406249;MM406249;C#CC(=CC#CC=C)OC;SPLLHBMDNOQZQD-UHFFFAOYSA-N;132.16;1.34;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_N0";;;;;;;1.17;;-1.18;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM406250;MM406250;CCN(N)C(=O)C=NNC;NCINHZARAVYXAW-UHFFFAOYSA-N;144.18;-1.09;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_P3";;;;;;;-0.33;;-2.01;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM406251;MM406251;C#CC(=CC#CC=O)OC;FAHCNCRBXSRMEJ-UHFFFAOYSA-N;134.13;0.35;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_Na";;;;;;;1.64;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM406252;MM406252;C=CC(CN)NN=COC;IYJMNDPAZSFZNB-UHFFFAOYSA-N;143.19;-0.32;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nda_P2";;;;;;;-0.24;;-4.61;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM406253;MM406253;C#CC(=CC#CC#N)OC;ORPPTFFRUIYGQZ-UHFFFAOYSA-N;131.13;0.68;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_N0";;;;;;;1.17;;-1.18;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM406254;MM406254;CNN=CC(=O)N(C)NC;LLKWDHLURBXSOM-UHFFFAOYSA-N;144.18;-1.22;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_P2";;;;;;;-1.06;;-3.82;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM406255;MM406255;C#CC#CC=C(C#C)CC;FYJGXMGBIPOXEB-UHFFFAOYSA-N;128.17;1.59;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4_N0";;;;;;;2.5;;0.44;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM406256;MM406256;C=CN(C)C(=O)C=NNC;SHUNEWWQROXJJA-UHFFFAOYSA-N;141.17;-0.21;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_Nd";;;;;;;0.04;;-2.63;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM406257;MM406257;C#CC#CC=C(C#C)CN;RPWCXCAAEURKCD-UHFFFAOYSA-N;129.16;0.14;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_N0";;;;;;;1.17;;-2.78;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM406258;MM406258;C=CC(CC)OC=CCC;UHXVCHGGEHLHGS-UHFFFAOYSA-N;140.23;2.89;;;;;DOPC;MDCG;27;0;"MARTINI bead: C3_C5";;;;;;;3.34;;0.48;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM406259;MM406259;C#CC#CC=C(C#C)CO;DTPJOAHCTFDECZ-UHFFFAOYSA-N;130.15;0.17;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda_N0";;;;;;;1.17;;-1.13;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM406260;MM406260;C=CC(CC)OC=CCN;JDHNWGNWDUQHKL-UHFFFAOYSA-N;141.21;1.44;;;;;DOPC;MDCG;27;1;"MARTINI bead: C1_P2";;;;;;;1.8;;-1.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM406261;MM406261;C#CC#CC=C(C#C)CF;IASLGAHOIDXMOK-UHFFFAOYSA-N;132.14;1.15;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_N0";;;;;;;1.94;;0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM406262;MM406262;C=CC(CC)OC=CCO;XVFUDBBOTGWNAA-UHFFFAOYSA-N;142.2;1.47;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_Nda";;;;;;;1.64;;0.05;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM406263;MM406263;C#CC#CC=C(C#C)OC;BXGFYXTXNFTQJX-UHFFFAOYSA-N;130.15;0.79;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_N0";;;;;;;1.17;;-1.18;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM406264;MM406264;CCC=COC(C=O)CC;CSFBXJDWHDADFB-UHFFFAOYSA-N;142.2;1.9;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_C5";;;;;;;2.41;;0.64;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM406265;MM406265;C=CC(C=C)=CC#CCC;DKGKGXPQZMLGLV-UHFFFAOYSA-N;132.21;2.7;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_C2";;;;;;;3.6;;0.34;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM406266;MM406266;CCC=COC(C#N)CC;ABUFEGNYANNGCO-UHFFFAOYSA-N;139.2;2.23;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_N0";;;;;;;1.94;;0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM406267;MM406267;C=CC(C=C)=CC#CCN;NLOLOQYBDJQNPM-UHFFFAOYSA-N;133.19;1.25;;;;;DOPC;MDCG;27;1;"MARTINI bead: P2_C2";;;;;;;1.72;;-0.66;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM406268;MM406268;CCC(C=O)OC=CCO;FRMPUMKYBUBMMZ-UHFFFAOYSA-N;144.17;0.49;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_P2";;;;;;;0.54;;-1.09;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM406269;MM406269;C=CC(C=C)=CC#CCO;IAWFBIXITVUDHB-UHFFFAOYSA-N;134.18;1.28;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_C2";;;;;;;1.72;;0.27;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM406270;MM406270;CCC(C#N)OC=CCF;WMXGNOBKEJCMQC-UHFFFAOYSA-N;143.16;1.79;;;;;DOPC;MDCG;27;0;"MARTINI bead: N0_Na";;;;;;;1.17;;-1.18;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM406271;MM406271;C=CC(C=C)=CC#CCF;NUVJNAZQROOFJA-UHFFFAOYSA-N;136.17;2.26;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_C2";;;;;;;2.83;;0.35;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM406272;MM406272;C=CC(CN)OC=CCC;MCQUDUYTFRERIN-UHFFFAOYSA-N;141.21;1.44;;;;;DOPC;MDCG;27;1;"MARTINI bead: C5_Nd";;;;;;;1.64;;-1.91;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM406273;MM406273;C=CC(C=O)=CC#CCC;CFKSNWAAIKCBPS-UHFFFAOYSA-N;134.18;1.71;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_Na";;;;;;;1.64;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM406274;MM406274;C=CC(CN)OC=CCO;GKOGCVXETFOIAI-UHFFFAOYSA-N;143.19;0.02;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_P2";;;;;;;-0.24;;-5.17;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM406275;MM406275;C=CC(C#N)=CC#CCC;SWVGQYDLCPNCOG-UHFFFAOYSA-N;131.18;2.04;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_C5";;;;;;;2.41;;0.64;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM406276;MM406276;C=CC(CO)OC=CCC;HNRVQCRDXPVJOU-UHFFFAOYSA-N;142.2;1.47;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_Nda";;;;;;;1.64;;0.05;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM406277;MM406277;C=CC(C#N)=CC#CCO;POCPCUSVEYSCOO-UHFFFAOYSA-N;133.15;0.62;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_C5";;;;;;;0.54;;-1.09;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM406278;MM406278;C=CC(CO)OC=CCN;TYFMXFAMXIFPGQ-UHFFFAOYSA-N;143.19;0.02;;;;;DOPC;MDCG;27;1;"MARTINI bead: P2_Nda";;;;;;;-0.24;;-5.48;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM406279;MM406279;C=CC(C=O)=CC#CCF;MWYDAPZLXLKWMA-UHFFFAOYSA-N;138.14;1.27;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_Na";;;;;;;0.87;;-2.22;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM406280;MM406280;C=CC(CO)OC=CCF;AZOBHKMTENWAOM-UHFFFAOYSA-N;146.16;1.03;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda_Na";;;;;;;0.87;;-1.99;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM406281;MM406281;C=CC(C#N)=CC#CCF;VBWLFAVEQMMKDY-UHFFFAOYSA-N;135.14;1.6;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_C5";;;;;;;1.64;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM406282;MM406282;CCC=COC(C=O)CO;BIXJQODKQLQFEY-UHFFFAOYSA-N;144.17;0.49;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_P2";;;;;;;0.54;;-1.09;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM406283;MM406283;CCC#CC=C(C=O)C=O;HYWDNHMZEBJDED-UHFFFAOYSA-N;136.15;0.72;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_Na";;;;;;;1.64;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM406284;MM406284;CCC=COC(C#N)CO;HQWRDSPUZCGJES-UHFFFAOYSA-N;141.17;0.81;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_P2";;;;;;;0.54;;-1.09;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM406285;MM406285;CCC#CC=C(C#N)C=O;VXYUNKUCEZZNQD-UHFFFAOYSA-N;133.15;1.05;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_Na";;;;;;;1.64;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM406286;MM406286;O=CC(CO)OC=CCO;UKSBFBBFOSQCSO-UHFFFAOYSA-N;146.14;-0.93;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda_P4";;;;;;;-1.19;;-4.91;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM406287;MM406287;O=CC(C=O)=CC#CCF;KYSGVFMVIPILBG-UHFFFAOYSA-N;140.11;0.28;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_Na";;;;;;;0.87;;-2.22;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM406288;MM406288;N#CC(CO)OC=CCO;DHMUKSYYZXDTDV-UHFFFAOYSA-N;143.14;-0.61;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda_P4";;;;;;;-1.19;;-4.91;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM406289;MM406289;N#CC(C=O)=CC#CCF;PPMXAQSPYOIEFG-UHFFFAOYSA-N;137.11;0.61;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_Na";;;;;;;0.87;;-2.22;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM406290;MM406290;O=CC(CF)OC=CCO;ANGQHLCNTRHXDI-UHFFFAOYSA-N;148.13;0.05;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda_P2";;;;;;;-0.24;;-3.31;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM406291;MM406291;C=CC#CC=C(C=C)C=C;JNGOBGOWHXNIHW-UHFFFAOYSA-N;130.19;2.47;;;;;DOPC;MDCG;27;0;"MARTINI bead: N0_C2";;;;;;;3.13;;0.3;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM406292;MM406292;N#CC(CF)OC=CCO;WJWPDDPBTJKYTN-UHFFFAOYSA-N;145.13;0.37;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_Na";;;;;;;-0.24;;-3.24;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM406293;MM406293;C=CC(C=C)=CC#CC=O;WGSCVOVWJIQGPD-UHFFFAOYSA-N;132.16;1.49;;;;;DOPC;MDCG;27;0;"MARTINI bead: C2_P1";;;;;;;2;;0.29;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM406294;MM406294;C=CC(CC)OC=COC;WACKLSJOEICRMK-UHFFFAOYSA-N;142.2;2.09;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_Na";;;;;;;1.64;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM406295;MM406295;C=CC(C=C)=CC#CC#N;BMWOLVDOUPBZIE-UHFFFAOYSA-N;129.16;1.81;;;;;DOPC;MDCG;27;0;"MARTINI bead: C2_N0";;;;;;;3.13;;0.3;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM406296;MM406296;CCC(C=O)OC=COC;WMHYYBZFSFMNML-UHFFFAOYSA-N;144.17;1.1;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_P1";;;;;;;0.81;;-0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM406297;MM406297;C=CC#CC=C(C=C)C=O;IJSBYUPHQBJKQM-UHFFFAOYSA-N;132.16;1.49;;;;;DOPC;MDCG;27;0;"MARTINI bead: N0_Na";;;;;;;1.17;;-1.18;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM406298;MM406298;COC=COC(C#N)CF;OBMNYYDTXNHDOH-UHFFFAOYSA-N;145.13;0.98;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_Na";;;;;;;0.87;;-2.22;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM406299;MM406299;C=CC#CC=C(C#N)C=C;PAMMXHZNXZIKND-UHFFFAOYSA-N;129.16;1.81;;;;;DOPC;MDCG;27;0;"MARTINI bead: N0_C5";;;;;;;1.94;;0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM406300;MM406300;C#CC(=O)C(C)=NOCC;UUEGICRKWZGAGN-UHFFFAOYSA-N;139.15;0.6;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_P1";;;;;;;0.81;;-0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM406301;MM406301;C=CC(C=O)=CC#CC=O;HROVYVQSWCNZMI-UHFFFAOYSA-N;134.13;0.5;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_C5";;;;;;;1.64;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM406302;MM406302;C=C(C#N)NC=NC=NC;AWVXBWKHMWEXBV-UHFFFAOYSA-N;136.16;0.3;;;;;DOPC;MDCG;27;0;"MARTINI bead: N0_P1";;;;;;;0.34;;-1.53;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM406303;MM406303;C=CC(C#N)=CC#CC=O;ISMDKSVQNLIRKF-UHFFFAOYSA-N;131.13;0.82;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_P1";;;;;;;0.81;;-0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM406304;MM406304;C=CC(CN)OC=NNC;WJMQKPMRZQCODG-UHFFFAOYSA-N;143.19;-0.32;;;;;DOPC;MDCG;27;1;"MARTINI bead: P2_Nd";;;;;;;-0.24;;-4.97;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM406305;MM406305;C=CC(C=O)=CC#CC#N;TYQKAKYKOOLEIA-UHFFFAOYSA-N;131.13;0.82;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_N0";;;;;;;1.17;;-1.18;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM406306;MM406306;CC=NNC=CC(=O)C=O;ZMFPHSADQKWFMJ-UHFFFAOYSA-N;140.14;-0.14;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nd_Na";;;;;;;0.87;;-1.88;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM406307;MM406307;C=CC#CC=C(C=O)C=O;QASXUAHCQSVWAP-UHFFFAOYSA-N;134.13;0.5;;;;;DOPC;MDCG;27;0;"MARTINI bead: N0_Na";;;;;;;1.17;;-1.18;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM406308;MM406308;N=c1nnc(=N)c(N)no1;JYWDDQZAJSMGLU-UHFFFAOYSA-N;140.11;-1.99;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP3_SP3";;;;;;;-3.07;;-6.15;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM406309;MM406309;C=CC#CC=C(C#N)C=O;QEZZEUSDSJWTRG-UHFFFAOYSA-N;131.13;0.82;;;;;DOPC;MDCG;27;0;"MARTINI bead: N0_Na";;;;;;;1.17;;-1.18;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM406310;MM406310;C=CC(OC)OC=CCC;VQFFDNRCIHBJKA-UHFFFAOYSA-N;142.2;2.09;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_Na";;;;;;;1.64;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM406311;MM406311;C=CC#CC=C(C#N)C#N;CZHBZYNQURNAHF-UHFFFAOYSA-N;128.13;1.15;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_P2";;;;;;;0.54;;-1.09;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM406312;MM406312;CCC=COC(C=O)OC;AZDGOLXSVCXKCD-UHFFFAOYSA-N;144.17;1.1;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_P1";;;;;;;0.81;;-0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM406313;MM406313;N#CC#CC=C(C=O)C=O;GULINYMJHFGMFP-UHFFFAOYSA-N;133.11;-0.16;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_N0";;;;;;;1.17;;-1.18;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM406314;MM406314;CCC=COC(C#N)OC;VBDJFXSSYGHGFS-UHFFFAOYSA-N;141.17;1.42;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_P1";;;;;;;0.81;;-0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM406315;MM406315;N#CC(C=O)=CC#CC=O;IIINMJGXBIIWLR-UHFFFAOYSA-N;133.11;-0.16;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_Na";;;;;;;0.87;;-2.22;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM406316;MM406316;C=CC(OC)OC=COC;WVDVNGCITIMLSZ-UHFFFAOYSA-N;144.17;1.28;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_N0";;;;;;;1.17;;-1.18;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM406317;MM406317;N#CC(C#N)=CC#CC=O;NYGMEVGZBSCLNZ-UHFFFAOYSA-N;130.11;0.16;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_N0";;;;;;;0.34;;-1.53;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM406318;MM406318;C=CC(CC)ON=CCC;GFCFRTTXYYOVFF-UHFFFAOYSA-N;141.21;2.36;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_C1";;;;;;;2.91;;0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM406319;MM406319;C#CC#CC=C(C=C)C=C;WXNYNEXCSBSFLV-UHFFFAOYSA-N;128.17;1.92;;;;;DOPC;MDCG;27;0;"MARTINI bead: C2_N0";;;;;;;3.13;;0.3;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM406320;MM406320;C=CC(CC)ON=CCN;MJEJTXROGFFFKP-UHFFFAOYSA-N;142.2;0.91;;;;;DOPC;MDCG;27;1;"MARTINI bead: C1_P3";;;;;;;0.94;;-1.21;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM406321;MM406321;C#CC#CC=C(C=C)C=O;LOLMLDXVKSGZJP-UHFFFAOYSA-N;130.15;0.93;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_N0";;;;;;;1.17;;-1.18;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM406322;MM406322;COc1nc(=N)onc1N;UAZYUFXVNTWBRO-UHFFFAOYSA-N;142.12;-0.86;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP2_SP3";;;;;;;-2.2;;-5.19;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM406323;MM406323;C#CC#CC=C(C#N)C=C;NBETXFGVDMOHSI-UHFFFAOYSA-N;127.15;1.26;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_N0";;;;;;;1.94;;0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM406324;MM406324;CC=C1CC2C(C1)C2(C)O;GVAHDXDAPBORRH-UHFFFAOYSA-N;138.21;1.72;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC1_SNda";;;;;;;2.91;;0.57;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM406325;MM406325;C#CC#CC=C(C=O)C=O;MBULREDNLKVJKL-UHFFFAOYSA-N;132.12;-0.05;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_N0";;;;;;;1.17;;-1.18;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM406326;MM406326;C=CC(CN)ON=CCC;XBRVYEUGYNJYNH-UHFFFAOYSA-N;142.2;0.91;;;;;DOPC;MDCG;27;1;"MARTINI bead: Na_Nd";;;;;;;0.87;;-3.33;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM406327;MM406327;C#CC#CC=C(C#N)C=O;KDOSXZKMCJHUFV-UHFFFAOYSA-N;129.12;0.27;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_N0";;;;;;;1.17;;-1.18;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM406328;MM406328;CNN=c1ncc(C)no1;WNIGUZLCEUIAGZ-UHFFFAOYSA-N;140.15;-0.59;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP3_SP2";;;;;;;-2.2;;-5.19;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM406329;MM406329;C#CC#CC=C(C#N)C#N;OBSFLJJQSCZKAJ-UHFFFAOYSA-N;126.12;0.6;;;;;DOPC;MDCG;27;0;"MARTINI bead: N0_N0";;;;;;;1.47;;-0.05;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM406330;MM406330;C=CC(CO)ON=CCN;CSMWGRGAPNYFRP-UHFFFAOYSA-N;144.17;-0.51;;;;;DOPC;MDCG;27;1;"MARTINI bead: P3_Nda";;;;;;;-1.1;;-5.37;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM406331;MM406331;C#CC(C=C)=CC#CCC;FIMPMNGGXYPQSB-UHFFFAOYSA-N;130.19;2.15;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_C4";;;;;;;2.97;;0.45;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM406332;MM406332;C#CC1C=CC(=NN=C)C1;NNIZJEIKRRRXJJ-UHFFFAOYSA-N;132.17;1.25;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC5_SC5";;;;;;;2.41;;0.64;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM406333;MM406333;C#CC(C=C)=CC#CCN;HFJYIOHSPGDCOT-UHFFFAOYSA-N;131.18;0.69;;;;;DOPC;MDCG;27;1;"MARTINI bead: P2_C4";;;;;;;1.09;;-1.67;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM406334;MM406334;CC1CC1(O)CCC1CC1;PJGMTHRWOBGOSZ-UHFFFAOYSA-N;140.23;1.95;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNda_SC5";;;;;;;1.64;;0.05;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM406335;MM406335;C#CC(C=C)=CC#CCO;GCDPIPDRSIAHRG-UHFFFAOYSA-N;132.16;0.73;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_C4";;;;;;;1.09;;-0.38;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM406336;MM406336;CCc1c[nH]c(CF)c1N;LDRVPVCUMPXDCZ-UHFFFAOYSA-N;142.18;1.63;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC5_SNda";;;;;;;1.64;;0.05;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM406337;MM406337;C#CC(C=C)=CC#CCF;UFGIDAWSYXPKOD-UHFFFAOYSA-N;134.15;1.7;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_C4";;;;;;;2.2;;0.34;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM406338;MM406338;C=CC(CF)ON=CCC;UOTSAQHQOXKUDC-UHFFFAOYSA-N;145.18;1.92;;;;;DOPC;MDCG;27;0;"MARTINI bead: N0_Na";;;;;;;1.17;;-1.18;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM406339;MM406339;C#CC(C=O)=CC#CCC;VZEGCOKFLIWZSE-UHFFFAOYSA-N;132.16;1.16;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_Na";;;;;;;1.64;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM406340;MM406340;C#CC(C#N)=CC#CCC;OEUIQTSZUJBJJA-UHFFFAOYSA-N;129.16;1.48;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_N0";;;;;;;1.94;;0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM406341;MM406341;CNc1c[nH]c(CF)c1C;DHSWYUGPKZDHCY-UHFFFAOYSA-N;142.18;1.83;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNd_SNda";;;;;;;0.87;;-1.92;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM406342;MM406342;C#CC(C=O)=CC#CCO;CZSWKISIKDEERD-UHFFFAOYSA-N;134.13;-0.26;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda_Na";;;;;;;0.87;;-1.99;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM406343;MM406343;C=Cc1[nH]cc(CC)c1N;BFHURIHKZGFLMZ-UHFFFAOYSA-N;136.2;1.8;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNd_SNd";;;;;;;0.87;;-2.11;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM406344;MM406344;C#CC(C#N)=CC#CCO;HOFYBKWGGMSCQH-UHFFFAOYSA-N;131.13;0.07;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda_N0";;;;;;;1.17;;-1.13;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM406345;MM406345;C=NN=CNCC#CC#N;QHIXFCBVWKGXCJ-UHFFFAOYSA-N;134.14;-0.25;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nd_N0";;;;;;;1.17;;-1.04;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM406346;MM406346;C#CC(C=O)=CC#CCF;SCPFFCLNVINPFF-UHFFFAOYSA-N;136.13;0.72;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_Na";;;;;;;0.87;;-2.22;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM406347;MM406347;C=CC(CC)ON=COC;WXGHDBNHDMNGIT-UHFFFAOYSA-N;143.19;1.56;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1_P2";;;;;;;1.8;;0.4;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM406348;MM406348;C#CC(C#N)=CC#CCF;AZIILGYXSWVWMF-UHFFFAOYSA-N;133.13;1.04;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_N0";;;;;;;1.17;;-1.18;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM406349;MM406349;CC=NNC=CN=NCC;IOIHMTRUHFABLC-UHFFFAOYSA-N;140.19;1.53;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4_Nd";;;;;;;2.2;;0.32;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM406350;MM406350;C#CC(C=C)=CC#CC=C;XRHNMLDNYGRMEX-UHFFFAOYSA-N;128.17;1.92;;;;;DOPC;MDCG;27;0;"MARTINI bead: N0_C4";;;;;;;2.5;;0.44;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM406351;MM406351;COC=NN=CNC=CF;YVAKUXFDEZSXBT-UHFFFAOYSA-N;145.14;0.63;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_Nda";;;;;;;0.87;;-1.99;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM406352;MM406352;C#CC(C=C)=CC#CC=O;UMINLLZOYAFFAE-UHFFFAOYSA-N;130.15;0.93;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4_P1";;;;;;;1.37;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM406353;MM406353;C=CC(CF)ON=COC;MEBZHGAJDGVVPB-UHFFFAOYSA-N;147.15;1.12;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_C5";;;;;;;0.54;;-1.09;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM406354;MM406354;C#CC(C=C)=CC#CC#N;XGXCIRSHVFOAGU-UHFFFAOYSA-N;127.15;1.26;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4_N0";;;;;;;2.5;;0.44;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM406355;MM406355;C=CC(OC)ON=CCC;UULDRMOCPZIJAS-UHFFFAOYSA-N;143.19;1.56;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_Na";;;;;;;0.87;;-2.22;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM406356;MM406356;C#CC(C=O)=CC#CC=C;CSUDVFFIMISNQK-UHFFFAOYSA-N;130.15;0.93;;;;;DOPC;MDCG;27;0;"MARTINI bead: N0_Na";;;;;;;1.17;;-1.18;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM406357;MM406357;Nc1cc[nH]c1;WAUGGYPDCQZJKK-UHFFFAOYSA-N;82.11;0.6;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP1_SNd";;;;;;;0.04;;-2.63;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM406358;MM406358;C#CC(C#N)=CC#CC=C;UPUHQCFXPBGVCP-UHFFFAOYSA-N;127.15;1.26;;;;;DOPC;MDCG;27;0;"MARTINI bead: N0_N0";;;;;;;1.47;;-0.05;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM406359;MM406359;C=NNCC(C)=O;YPKBKCVZKHOERL-UHFFFAOYSA-N;100.12;-0.22;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_P2";;;;;;;-0.24;;-3.24;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM406360;MM406360;C#CC(C=O)=CC#CC=O;PHUHEMNCGBKZII-UHFFFAOYSA-N;132.12;-0.05;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_Na";;;;;;;1.64;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM406361;MM406361;Cc1[nH]ccc1N;YNABZXVRMXPLDX-UHFFFAOYSA-N;96.13;0.91;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNd_SP1";;;;;;;0.04;;-2.63;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM406362;MM406362;C#CC(C=O)=CC#CC#N;UCRWRVOGJKCMHA-UHFFFAOYSA-N;129.12;0.27;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_N0";;;;;;;1.17;;-1.18;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM406363;MM406363;C=CC(OC)ON=COC;VBDXKODUORBYGR-UHFFFAOYSA-N;145.16;0.75;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_N0";;;;;;;0.34;;-1.53;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM406364;MM406364;C#CC(C#N)=CC#CC=O;NFFJJKAKEBSLRD-UHFFFAOYSA-N;129.12;0.27;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_C5";;;;;;;1.64;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM406365;MM406365;CCN(C=N)CC=CCF;NLTDVAYGNAEQLM-UHFFFAOYSA-N;144.19;1.44;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_Na";;;;;;;0.87;;-5.76;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM406366;MM406366;C#CC(C#N)=CC#CC#N;YNYCLMZFPZRVQZ-UHFFFAOYSA-N;126.12;0.6;;;;;DOPC;MDCG;27;0;"MARTINI bead: N0_N0";;;;;;;1.47;;-0.05;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM406367;MM406367;CCC=CCN(C=O)CC;UHGSQZNPINMDQD-UHFFFAOYSA-N;141.21;1.43;;;;;DOPC;MDCG;27;0;"MARTINI bead: C3_P1";;;;;;;1.74;;0.29;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM406368;MM406368;C#CC#CC=C(C#C)C=C;LOXNOXKXKYGILU-UHFFFAOYSA-N;126.16;1.37;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4_N0";;;;;;;2.5;;0.44;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM406369;MM406369;CCN(C=N)CC=COC;VPSPTRBBGQJPMX-UHFFFAOYSA-N;142.2;1.08;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_Na";;;;;;;0.87;;-5.71;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM406370;MM406370;C#CC#CC=C(C#C)C=O;GTAOEEUXGQLGIR-UHFFFAOYSA-N;128.13;0.38;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_N0";;;;;;;1.17;;-1.18;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM406371;MM406371;CCN(C=N)CC=NOC;JCADGUQOIAFNRJ-UHFFFAOYSA-N;143.19;0.55;;;;;DOPC;MDCG;27;1;"MARTINI bead: Na_P2";;;;;;;-0.24;;-6.62;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM406372;MM406372;C#CC#CC=C(C#C)C#N;LMNPCSIBEWXZLH-UHFFFAOYSA-N;125.13;0.71;;;;;DOPC;MDCG;27;0;"MARTINI bead: N0_N0";;;;;;;1.47;;-0.05;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM406373;MM406373;C=NN(CC)CC=CCC;PRTWISJHPDYRIM-UHFFFAOYSA-N;140.23;1.89;;;;;DOPC;MDCG;27;0;"MARTINI bead: C3_P1";;;;;;;1.74;;0.29;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM406374;MM406374;C#CC(C#C)=CC#CCC;ARHYPTCLJWIBEJ-UHFFFAOYSA-N;128.17;1.59;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_C5";;;;;;;2.41;;0.64;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM406375;MM406375;C=CCC(C)(O)C=C;UZGAAWKQDMQLLN-UHFFFAOYSA-N;112.17;1.5;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda_C4";;;;;;;2.2;;0.49;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM406376;MM406376;C#CC(C#C)=CC#CCN;ZLXZRELZQVVGLL-UHFFFAOYSA-N;129.16;0.14;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_N0";;;;;;;1.17;;-2.35;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM406377;MM406377;CNN(C=N)CC=CCO;KMRSRCNUAWOHSM-UHFFFAOYSA-N;143.19;-0.42;;;;;DOPC;MDCG;27;1;"MARTINI bead: P4_Nda";;;;;;;-1.19;;-6.91;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM406378;MM406378;C#CC(C#C)=CC#CCO;FCUBGBSQECHQEX-UHFFFAOYSA-N;130.15;0.17;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda_N0";;;;;;;1.17;;-1.13;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM406379;MM406379;CNN(C=O)CC=CCN;GDJSZTPQZSQAJI-UHFFFAOYSA-N;143.19;-0.91;;;;;DOPC;MDCG;27;1;"MARTINI bead: P2_P1";;;;;;;-1.06;;-5.76;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM406380;MM406380;C#CC(C#C)=CC#CCF;SMERQCJTVOIGIV-UHFFFAOYSA-N;132.14;1.15;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_C5";;;;;;;1.64;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM406381;MM406381;CC1NC(C)(C)C1=O;NPBGUWUEAIIDBA-UHFFFAOYSA-N;113.16;0.33;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP2_SN0";;;;;;;0.06;;-2.21;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM406382;MM406382;C#CC(C#C)=CC#CC=C;GDBVPUBZOLOHMK-UHFFFAOYSA-N;126.16;1.37;;;;;DOPC;MDCG;27;0;"MARTINI bead: N0_C5";;;;;;;1.94;;0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM406383;MM406383;CNN(C=O)CC=COC;RAAGOERYAOCZLE-UHFFFAOYSA-N;144.17;-0.26;;;;;DOPC;MDCG;27;0;"MARTINI bead: P4_C5";;;;;;;-0.41;;-2.78;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM406384;MM406384;C#CC(C#C)=CC#CC=O;IUEZJJBZBFNYQT-UHFFFAOYSA-N;128.13;0.38;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_N0";;;;;;;1.94;;0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM406385;MM406385;CNN=CCN(C=N)NC;IOMPHUOBJZCWHP-UHFFFAOYSA-N;143.19;-0.76;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_P4";;;;;;;-1.19;;-6.54;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM406386;MM406386;C#CC(C#C)=CC#CC#N;HBLGBOGPXPWJOH-UHFFFAOYSA-N;125.13;0.71;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_N0";;;;;;;1.94;;0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM406387;MM406387;CNN=CCN(C=O)NC;ZODOITCRBMOLAM-UHFFFAOYSA-N;144.18;-1.22;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nd_P4";;;;;;;-1.19;;-4.91;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM406388;MM406388;C#CC#CC=C(C#C)C#C;RVRCNJHLJMKWBR-UHFFFAOYSA-N;124.14;0.82;;;;;DOPC;MDCG;27;0;"MARTINI bead: N0_C5";;;;;;;1.94;;0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM406389;MM406389;CNN(C=N)CC=NOC;BFFKSNHZSZGNLX-UHFFFAOYSA-N;144.18;-0.34;;;;;DOPC;MDCG;27;1;"MARTINI bead: P4_P1";;;;;;;-2.01;;-6.76;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM406390;MM406390;N#CC#CCNCC=O;YULNKTNLESQQAC-UHFFFAOYSA-N;122.13;-0.7;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_P2";;;;;;;-0.24;;-3.24;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM406391;MM406391;CON(C=O)CC=CCO;MUWRLTRBJWJAFW-UHFFFAOYSA-N;145.16;-0.45;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_Nda";;;;;;;-0.24;;-3.31;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM406392;MM406392;CCCC(C)C(CN)CN;QLAIJLQFBCUDQD-UHFFFAOYSA-N;144.26;0.96;;;;;DOPC;MDCG;27;1;"MARTINI bead: C1_P3";;;;;;;0.94;;-2.5;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM406393;MM406393;CNN=CCN(C=O)OC;YRKBQKWTGWXIQP-UHFFFAOYSA-N;145.16;-0.79;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nd_P2";;;;;;;-0.24;;-3.16;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM406394;MM406394;CC(CCN)C(CF)CF;UWUZYKKVMYRHPF-UHFFFAOYSA-N;151.2;1.53;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_Na";;;;;;;0.87;;-4.67;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM406395;MM406395;CCN(C=N)NC=NNC;FXVDEVORCNZFSS-UHFFFAOYSA-N;143.19;-0.42;;;;;DOPC;MDCG;27;1;"MARTINI bead: P2_P2";;;;;;;-1.34;;-6.18;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM406396;MM406396;CCC(CC)C(N)CCN;BSZYXZAVCJTHBM-UHFFFAOYSA-N;144.26;1.1;;;;;DOPC;MDCG;27;1;"MARTINI bead: C1_P3";;;;;;;0.94;;-2.64;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM406397;MM406397;Nc1cn(N)nc1N;RVSJFUHFJKGHOC-UHFFFAOYSA-N;113.12;-1.24;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP1_SP2";;;;;;;-1.06;;-3.82;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM406398;MM406398;CCC(CC)C(N)CCO;SCFIYJQBLADDGB-UHFFFAOYSA-N;145.25;1.13;;;;;DOPC;MDCG;27;1;"MARTINI bead: C1_P2";;;;;;;1.8;;-1.59;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM406399;MM406399;CCN(C=N)NC=NOC;DSLIIELXUXAUTC-UHFFFAOYSA-N;144.18;0.01;;;;;DOPC;MDCG;27;1;"MARTINI bead: P2_P1";;;;;;;-1.06;;-5.67;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM406400;MM406400;CCCC(N)C(CC)CN;DIKQYXQNRSMPGZ-UHFFFAOYSA-N;144.26;1.1;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_Nd";;;;;;;0.87;;-5.05;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM406401;MM406401;C=CC=CCC(C=C)CC;IPAZFJDPWSCSQY-UHFFFAOYSA-N;136.24;3.33;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1_C1";;;;;;;4.95;;0.69;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM406402;MM406402;CCCC(N)C(CN)CF;FNECFKSSTVDIAW-UHFFFAOYSA-N;148.23;0.66;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_P1";;;;;;;0.04;;-5.48;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM406403;MM406403;C=CC(CC)CC=CC=O;WKQUKNODXUAQSL-UHFFFAOYSA-N;138.21;2.34;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1_Na";;;;;;;2.91;;0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM406404;MM406404;NCC(CF)C(N)CCF;HIRNAAYYFGUIPU-UHFFFAOYSA-N;152.19;0.22;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1_P1";;;;;;;-0.79;;-5.93;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM406405;MM406405;C=CC(CC)CC=CC#N;XDTJCZYUFOHTPE-UHFFFAOYSA-N;135.21;2.67;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1_N0";;;;;;;3.21;;0.46;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM406406;MM406406;NC(CCO)C(CO)CO;ZVPGJFISLWROPG-UHFFFAOYSA-N;149.19;-1.7;;;;;DOPC;MDCG;27;1;"MARTINI bead: P2_P3";;;;;;;-2.2;;-7.15;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM406407;MM406407;C=CC=CCC(C=O)CC;XYFYSMPERRTBQT-UHFFFAOYSA-N;138.21;2.34;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_C4";;;;;;;2.97;;0.45;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM406408;MM406408;NC(CCF)C(CF)CF;FIZVASVHQULFRP-UHFFFAOYSA-N;155.16;1.23;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1_Na";;;;;;;0.04;;-5.38;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM406409;MM406409;C=CC=CCC(C#N)CC;ZBMZBXCSUMFDCZ-UHFFFAOYSA-N;135.21;2.67;;;;;DOPC;MDCG;27;0;"MARTINI bead: N0_C1";;;;;;;3.21;;0.46;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM406410;MM406410;NCC(CO)C(O)CCO;HMZGKDAHJOGQJD-UHFFFAOYSA-N;149.19;-1.7;;;;;DOPC;MDCG;27;1;"MARTINI bead: P2_P3";;;;;;;-2.2;;-7.24;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM406411;MM406411;CCC(C=O)CC=CC=O;JFGWLMHZIRKODU-UHFFFAOYSA-N;140.18;1.36;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_Na";;;;;;;1.64;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM406412;MM406412;NCCC(O)C(CO)CO;NYLNEHINVMFFCW-UHFFFAOYSA-N;149.19;-1.7;;;;;DOPC;MDCG;27;1;"MARTINI bead: P2_P3";;;;;;;-2.2;;-7.57;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM406413;MM406413;CCC(C=O)CC=CC#N;WLHVJSNSBBAEBJ-UHFFFAOYSA-N;137.18;1.68;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_N0";;;;;;;1.94;;0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM406414;MM406414;OCCC(O)C(CO)CO;PGEFSUHGUTWIFW-UHFFFAOYSA-N;150.17;-1.67;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_P3";;;;;;;-1.93;;-4.72;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM406415;MM406415;CCC(C#N)CC=CC=O;XTFIDVAMLNXBSA-UHFFFAOYSA-N;137.18;1.68;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_Na";;;;;;;1.64;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM406416;MM406416;CCC(CN)C(F)CCN;CROZZHWFQRLKCC-UHFFFAOYSA-N;148.23;0.66;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_P1";;;;;;;0.04;;-5.64;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM406417;MM406417;C=CC=CCC(C=C)CN;AUEPWLZHLMHKBS-UHFFFAOYSA-N;137.23;1.88;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_C1";;;;;;;2.91;;-0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM406418;MM406418;CCC(CN)C(F)CCF;QPBQIHHOLGLWFJ-UHFFFAOYSA-N;151.2;1.67;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_Na";;;;;;;0.87;;-4.6;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM406419;MM406419;C#CC1CC(=O)N1N;VSRROHSWRYRYOV-UHFFFAOYSA-N;110.12;-0.91;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP1_SP2";;;;;;;-1.06;;-3.82;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM406420;MM406420;CCC(CF)C(F)CCN;SBDURZFIIHQRRB-UHFFFAOYSA-N;151.2;1.67;;;;;DOPC;MDCG;27;1;"MARTINI bead: C4_P1";;;;;;;1.37;;-2.64;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM406421;MM406421;CC#CCCC(C)(C)O;BUVMERHRHAOTEK-UHFFFAOYSA-N;126.2;1.56;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4_Nda";;;;;;;2.2;;0.49;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM406422;MM406422;CCCC(F)C(CN)CF;ZNFIMWVUUKGWJZ-UHFFFAOYSA-N;151.2;1.67;;;;;DOPC;MDCG;27;1;"MARTINI bead: C4_P1";;;;;;;1.37;;-2.59;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM406423;MM406423;C=CC=CCC(C=O)CO;LFXMEOYKYXAIHD-UHFFFAOYSA-N;140.18;0.93;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_C4";;;;;;;1.09;;-0.38;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM406424;MM406424;NCCC(F)C(CN)CF;REZGZDNYTWPOQA-UHFFFAOYSA-N;152.19;0.22;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1_P1";;;;;;;-0.79;;-6.11;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM406425;MM406425;C=CC=CCC(C#N)CO;JDAIEBFFDXHYDT-UHFFFAOYSA-N;137.18;1.25;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_C4";;;;;;;1.09;;-0.38;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM406426;MM406426;NCC(CF)C(F)CCF;RXBOZHYIWOXVCA-UHFFFAOYSA-N;155.16;1.23;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1_Na";;;;;;;0.04;;-5.18;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM406427;MM406427;C=CC=CCC(C=C)CF;JDGJZWWOFVZSFN-UHFFFAOYSA-N;140.2;2.89;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_C1";;;;;;;3.68;;0.46;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM406428;MM406428;CNCC(C)C(CF)CF;RWYVKAXVEYTNRN-UHFFFAOYSA-N;151.2;1.4;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_Na";;;;;;;0.87;;-5.12;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM406429;MM406429;C=CC(CF)CC=CC=O;NNOCYGIQRQKFNC-UHFFFAOYSA-N;142.17;1.9;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_Na";;;;;;;1.64;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM406430;MM406430;CNCC(O)C(CO)CO;MITIGBMITZYJMX-UHFFFAOYSA-N;149.19;-1.83;;;;;DOPC;MDCG;27;1;"MARTINI bead: P2_P3";;;;;;;-2.2;;-7.09;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM406431;MM406431;C=CC=CCC(C=O)CF;JNDPHJSOKPVZFV-UHFFFAOYSA-N;142.17;1.9;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_C1";;;;;;;2.08;;0.48;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM406432;MM406432;CCC(CF)C(F)CNC;VBCGGNUFDVETNA-UHFFFAOYSA-N;151.2;1.54;;;;;DOPC;MDCG;27;1;"MARTINI bead: C4_P1";;;;;;;1.37;;-1.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM406433;MM406433;N#CC(CF)CC=CC=O;SJEGNFKQRLYDHD-UHFFFAOYSA-N;141.15;1.24;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_Na";;;;;;;0.87;;-2.22;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM406434;MM406434;CCC(CC)C(C)COC;KBJNHZANESNFAZ-UHFFFAOYSA-N;144.26;2.71;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1_Na";;;;;;;2.91;;0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM406435;MM406435;C=CC(CC)CC=NN=C;VNWWCLNKIIVKSU-UHFFFAOYSA-N;138.21;2.28;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1_N0";;;;;;;3.21;;0.46;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM406436;MM406436;CCC(CC)C(N)COC;HZORMQGAUZADQN-UHFFFAOYSA-N;145.25;1.4;;;;;DOPC;MDCG;27;1;"MARTINI bead: C1_P2";;;;;;;1.8;;-1.26;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM406437;MM406437;CC(=O)N=C(C)N(C)N;ZICCYSLMSUDDQH-UHFFFAOYSA-N;129.16;-0.24;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_Na";;;;;;;-0.24;;-3.24;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM406438;MM406438;CCC(CN)C(N)COC;JBJSSQUXSOTHCZ-UHFFFAOYSA-N;146.23;-0.05;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_P2";;;;;;;-0.24;;-5.75;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM406439;MM406439;C=NN=CCC(C#N)CC;KYTCOLXZLOTGKK-UHFFFAOYSA-N;137.19;1.61;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_N0";;;;;;;1.94;;0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM406440;MM406440;COCC(N)C(CO)CO;UGHWIUCPNCIPGL-UHFFFAOYSA-N;149.19;-1.44;;;;;DOPC;MDCG;27;1;"MARTINI bead: P2_P3";;;;;;;-2.2;;-6.82;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM406441;MM406441;C=CC(CN)CC=NN=C;LULAVRNKUKEEKD-UHFFFAOYSA-N;139.2;0.82;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_N0";;;;;;;1.17;;-3.8;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM406442;MM406442;COCC(N)C(CF)CF;RNVAEBOUDNKYCK-UHFFFAOYSA-N;153.17;0.52;;;;;DOPC;MDCG;27;1;"MARTINI bead: P2_Na";;;;;;;-0.24;;-5.45;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM406443;MM406443;C=CC(CO)CC=NN=C;XYOAWYVWCMIZEL-UHFFFAOYSA-N;140.19;0.86;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda_C5";;;;;;;1.64;;0.05;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM406444;MM406444;COCC(O)C(CO)CO;VCFVWEPWPMQAKW-UHFFFAOYSA-N;150.17;-1.41;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_P3";;;;;;;-2.2;;-5.19;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM406445;MM406445;C=NN=CCC(C=O)CO;PLYKKZAZHQHHRY-UHFFFAOYSA-N;142.16;-0.13;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_C5";;;;;;;0.54;;-1.09;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM406446;MM406446;COCC(O)C(CF)CF;HWAZQEQAGMSWLH-UHFFFAOYSA-N;154.16;0.55;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_Na";;;;;;;-0.24;;-3.24;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM406447;MM406447;C=NN=CCC(C#N)CO;XTZFYYDQZUTFJA-UHFFFAOYSA-N;139.16;0.19;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_C5";;;;;;;0.54;;-1.09;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM406448;MM406448;CCCC(C)C(CN)NC;IIOYDYVKGIZMRQ-UHFFFAOYSA-N;144.26;0.97;;;;;DOPC;MDCG;27;1;"MARTINI bead: C1_P3";;;;;;;0.94;;-2.66;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM406449;MM406449;C=CC(CF)CC=NN=C;VXDVYAVXZSMDGR-UHFFFAOYSA-N;142.18;1.83;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4_N0";;;;;;;2.5;;0.44;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM406450;MM406450;CNC(CO)C(C)CCO;ABNVUMLCZYBUMP-UHFFFAOYSA-N;147.22;-0.41;;;;;DOPC;MDCG;27;1;"MARTINI bead: P2_Nda";;;;;;;-0.24;;-5.75;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM406451;MM406451;C=CC=CCC(C=C)NC;LQDZYBYBFZENAI-UHFFFAOYSA-N;137.23;1.89;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_C1";;;;;;;2.91;;-0.25;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM406452;MM406452;CNC(CF)C(C)CCF;YKLMXXCONKWLCA-UHFFFAOYSA-N;151.2;1.54;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1_C4";;;;;;;1.37;;-1.75;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM406453;MM406453;C=CC(CC=CC=O)NC;FRQVIZLFCWNKPT-UHFFFAOYSA-N;139.2;0.91;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_Na";;;;;;;0.87;;-4.24;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM406454;MM406454;CNC(CN)C(O)CCO;DKFIMMCUMVKHFV-UHFFFAOYSA-N;148.21;-1.72;;;;;DOPC;MDCG;27;1;"MARTINI bead: P5_P1";;;;;;;-1.94;;-7.86;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM406455;MM406455;C=CC(CC=CC#N)NC;JXWLGXNFNYJNMA-UHFFFAOYSA-N;136.2;1.23;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_N0";;;;;;;1.17;;-3.49;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM406456;MM406456;CCCC(O)C(CO)NC;IYRZEUCKJCKYGK-UHFFFAOYSA-N;147.22;-0.27;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nda_P2";;;;;;;-0.24;;-5.32;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM406457;MM406457;C=CC=CCC(C=O)NC;JHOPWTTVDFKPGM-UHFFFAOYSA-N;139.2;0.91;;;;;DOPC;MDCG;27;1;"MARTINI bead: P2_C4";;;;;;;1.09;;-1.53;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM406458;MM406458;CNC(CO)C(O)CCN;LWIMVTLECWCNDB-UHFFFAOYSA-N;148.21;-1.72;;;;;DOPC;MDCG;27;1;"MARTINI bead: P2_P2";;;;;;;-1.34;;-6.86;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM406459;MM406459;C=CC=CCC(C#N)NC;SSJTXLNFTDUOGQ-UHFFFAOYSA-N;136.2;1.23;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_C4";;;;;;;1.37;;-0.05;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM406460;MM406460;CNC(CO)C(O)CCO;MJMGYMXJRGYVJY-UHFFFAOYSA-N;149.19;-1.69;;;;;DOPC;MDCG;27;1;"MARTINI bead: P3_P1";;;;;;;-1.93;;-6.42;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM406461;MM406461;CNC(C#N)CC=CC=O;PWWLTUUZUNETJM-UHFFFAOYSA-N;138.17;0.24;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_Na";;;;;;;-0.24;;-3.24;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM406462;MM406462;CCC(NC)C(F)CCF;IRBZAOSAODGSQF-UHFFFAOYSA-N;151.2;1.68;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_Na";;;;;;;0.87;;-3.69;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM406463;MM406463;C=NN=CCC(C#N)NC;HNJIDYPPJSHFOT-UHFFFAOYSA-N;138.17;0.17;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_N0";;;;;;;0.34;;-1.53;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM406464;MM406464;CCCC(F)C(CN)NC;NBULKLXRHVHVGC-UHFFFAOYSA-N;148.23;0.67;;;;;DOPC;MDCG;27;1;"MARTINI bead: C4_P3";;;;;;;0.23;;-2.99;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM406465;MM406465;C=CC=CCC(C=C)OC;PGQKRMQEGLQTQL-UHFFFAOYSA-N;138.21;2.32;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_C4";;;;;;;2.97;;0.45;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM406466;MM406466;CNCC(C)C(CF)NC;KGCCSAZJTFMHSD-UHFFFAOYSA-N;148.23;0.4;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_P1";;;;;;;0.04;;-5.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM406467;MM406467;C=CC(CC=CC#N)OC;WBOJOHAURUKRBH-UHFFFAOYSA-N;137.18;1.66;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_N0";;;;;;;1.17;;-1.18;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM406468;MM406468;CNCC(N)C(CO)NC;XWKMINGXHROLGY-UHFFFAOYSA-N;147.22;-1.89;;;;;DOPC;MDCG;27;1;"MARTINI bead: P3_P2";;;;;;;-2.2;;-7.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM406469;MM406469;C=CC=CCC(C#N)OC;RPQLLYYITYZVFQ-UHFFFAOYSA-N;137.18;1.66;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_C4";;;;;;;2.2;;0.34;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM406470;MM406470;CCC(NC)C(O)CNC;LPEURDYYWYIJCF-UHFFFAOYSA-N;146.23;-0.44;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_P2";;;;;;;-0.24;;-5.73;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM406471;MM406471;COC(C=O)CC=CC=O;HVPPKSIQHMEYQK-UHFFFAOYSA-N;142.15;0.35;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_Na";;;;;;;0.87;;-2.22;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM406472;MM406472;CNCC(O)C(CO)NC;CGBQRYFNSZYEBD-UHFFFAOYSA-N;148.21;-1.85;;;;;DOPC;MDCG;27;1;"MARTINI bead: P2_P2";;;;;;;-1.34;;-6.37;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM406473;MM406473;COC(C=O)CC=CC#N;IGIZWNZJOYFIOJ-UHFFFAOYSA-N;139.15;0.67;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_N0";;;;;;;1.17;;-1.18;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM406474;MM406474;CNC(CO)C(C)COC;FGWFZPSNAUCCEJ-UHFFFAOYSA-N;147.22;-0.15;;;;;DOPC;MDCG;27;1;"MARTINI bead: P2_Na";;;;;;;-0.24;;-5.77;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM406475;MM406475;COC(C#N)CC=CC=O;DEZKPQRPTTZAOU-UHFFFAOYSA-N;139.15;0.67;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_Na";;;;;;;0.87;;-2.22;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM406476;MM406476;CNC(CO)C(O)COC;NIYXHBKVIHNPJH-UHFFFAOYSA-N;149.19;-1.43;;;;;DOPC;MDCG;27;1;"MARTINI bead: P2_P2";;;;;;;-1.34;;-6.12;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM406477;MM406477;C=CC(CC=NN=C)OC;XWFKHSMXRVWTEB-UHFFFAOYSA-N;140.19;1.26;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_N0";;;;;;;1.94;;0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM406478;MM406478;COC(CO)C(C)CCN;OVJFZVYEJXLCGK-UHFFFAOYSA-N;147.22;-0.02;;;;;DOPC;MDCG;27;1;"MARTINI bead: P2_Nd";;;;;;;-0.24;;-5.92;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM406479;MM406479;CCC12CCC(O)(C1)C2;OFJJINJODWKGHA-UHFFFAOYSA-N;126.2;1.7;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC1_SNda";;;;;;;2.91;;0.57;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM406480;MM406480;COC(CO)C(C)CCO;OVGMTZRSSOJVRK-UHFFFAOYSA-N;148.2;0.01;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_Nda";;;;;;;-0.24;;-3.31;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM406481;MM406481;C=NN=CCC(C#N)OC;OIRUBYNYLFZCTF-UHFFFAOYSA-N;139.16;0.6;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_C5";;;;;;;0.81;;-0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM406482;MM406482;CCCC(N)C(CN)OC;HJVDLFLDFPOLJT-UHFFFAOYSA-N;146.23;0.09;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_P2";;;;;;;-0.24;;-5.36;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM406483;MM406483;C=CC(CC)NC=CC=O;DQAGVRVZBCSVSB-UHFFFAOYSA-N;139.2;1.25;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1_P2";;;;;;;1.8;;0.4;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM406484;MM406484;CCCC(N)C(CO)OC;SFNOQTFEZNPUIZ-UHFFFAOYSA-N;147.22;0.12;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_P2";;;;;;;-0.24;;-5.15;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM406485;MM406485;C=CC(CC)NC=CC#N;JTTUYRVNMGGAKW-UHFFFAOYSA-N;136.2;1.58;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nd_N0";;;;;;;1.17;;-1.04;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM406486;MM406486;CCC(OC)C(O)CCN;QENCVQNIFRZDBX-UHFFFAOYSA-N;147.22;0.12;;;;;DOPC;MDCG;27;1;"MARTINI bead: Na_P2";;;;;;;-0.24;;-5.65;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM406487;MM406487;CCC(C=O)NC=CC=O;QDBQOOSEDRBNOJ-UHFFFAOYSA-N;141.17;0.27;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_P2";;;;;;;0.54;;-1.09;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM406488;MM406488;CCCC(O)C(CN)OC;JZVBGLBUJIOWCB-UHFFFAOYSA-N;147.22;0.12;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nda_P2";;;;;;;-0.24;;-5.01;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM406489;MM406489;C#CCCC1(O)CC1C;LIXKBDFNONCKKQ-UHFFFAOYSA-N;124.18;1.17;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNda_C5";;;;;;;1.64;;0.05;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM406490;MM406490;COC(CN)C(O)CCO;YZLHYUMFHJJCIY-UHFFFAOYSA-N;149.19;-1.3;;;;;DOPC;MDCG;27;1;"MARTINI bead: P2_P3";;;;;;;-2.2;;-6.87;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM406491;MM406491;O=CC=CNC(C=O)CO;ODJWTPIREWOBKP-UHFFFAOYSA-N;143.14;-1.15;;;;;DOPC;MDCG;27;0;"MARTINI bead: P4_Na";;;;;;;-1.19;;-4.76;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM406492;MM406492;COC(CO)C(O)CCN;UEGYTLZZSKGFQZ-UHFFFAOYSA-N;149.19;-1.3;;;;;DOPC;MDCG;27;1;"MARTINI bead: P2_P2";;;;;;;-1.34;;-6.72;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM406493;MM406493;C#CC(C)C(O)CC=C;VUTQRFKTYDAWMH-UHFFFAOYSA-N;124.18;1.19;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_Nda";;;;;;;1.64;;0.05;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM406494;MM406494;COC(CO)C(O)CCO;HCLIBEYUCDQBOI-UHFFFAOYSA-N;150.17;-1.26;;;;;DOPC;MDCG;27;0;"MARTINI bead: P3_P1";;;;;;;-1.93;;-4.72;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM406495;MM406495;N#CC(CO)NC=CC=O;GCNWWJFDNBPMPY-UHFFFAOYSA-N;140.14;-0.83;;;;;DOPC;MDCG;27;0;"MARTINI bead: P4_Na";;;;;;;-1.19;;-4.76;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM406496;MM406496;COC(CF)C(O)CCO;XCQOZWBKLYTXNV-UHFFFAOYSA-N;152.17;-0.29;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_P3";;;;;;;-1.1;;-4.2;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM406497;MM406497;N#CC=CNC(C#N)CO;RBFXJAHPYYOJBF-UHFFFAOYSA-N;137.14;-0.5;;;;;DOPC;MDCG;27;0;"MARTINI bead: P4_N0";;;;;;;-0.88;;-3.74;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM406498;MM406498;COC(CF)C(F)CCN;DZTYYQOFJVXAFE-UHFFFAOYSA-N;153.17;0.66;;;;;DOPC;MDCG;27;1;"MARTINI bead: Na_P1";;;;;;;0.04;;-5.24;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM406499;MM406499;C=CC(CF)NC=CC=O;DZFIRNDKXCBQAX-UHFFFAOYSA-N;143.16;0.81;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_P2";;;;;;;0.54;;-1.09;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM406500;MM406500;CNCC(C)C(CO)OC;SEEQNKMETASWNV-UHFFFAOYSA-N;147.22;-0.15;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_P2";;;;;;;-0.24;;-5.89;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM406501;MM406501;C=CC(CF)NC=CC#N;VPQDHTKAPWWJHG-UHFFFAOYSA-N;140.16;1.14;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_P1";;;;;;;0.81;;-0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM406502;MM406502;CNCC(O)C(CO)OC;SXAZJCKBVRIXSR-UHFFFAOYSA-N;149.19;-1.43;;;;;DOPC;MDCG;27;1;"MARTINI bead: P2_P2";;;;;;;-1.34;;-6.31;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM406503;MM406503;C#CCC1CC1(O)CC;NQHYULLKUORSIT-UHFFFAOYSA-N;124.18;1.17;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNda_C5";;;;;;;1.64;;0.05;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM406504;MM406504;COCC(C)C(CO)OC;HJAPMQKDHWQPKK-UHFFFAOYSA-N;148.2;0.28;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_Nda";;;;;;;0.04;;-2.73;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM406505;MM406505;C=CC(CC)N=CNC=O;GBFOQMRIOBOHHX-UHFFFAOYSA-N;140.19;0.73;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1_P4";;;;;;;0.85;;-0.64;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM406506;MM406506;COCC(O)C(CO)OC;UVENELPSYKSWQV-UHFFFAOYSA-N;150.17;-1;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_P2";;;;;;;-1.34;;-4.31;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM406507;MM406507;CCC(C=O)N=CNC=O;OKXOCBUKHKMGRG-UHFFFAOYSA-N;142.16;-0.26;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_P4";;;;;;;-0.41;;-2.78;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM406508;MM406508;COCC(F)C(CO)OC;HRDGOPICKSCXFA-UHFFFAOYSA-N;152.17;-0.02;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_P2";;;;;;;-0.24;;-3.24;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM406509;MM406509;C=CC(CN)N=CNC=N;UHOAKWXMFSRSMU-UHFFFAOYSA-N;140.19;-0.28;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_P4";;;;;;;-1.19;;-6.76;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM406510;MM406510;COC(OC)C(O)CCN;ZTZCERSQTPIKIO-UHFFFAOYSA-N;149.19;-0.69;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1_P2";;;;;;;-1.06;;-6.22;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM406511;MM406511;C=CC(CO)N=CNC=N;IAUMVHHSBROZHR-UHFFFAOYSA-N;141.17;-0.24;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nda_P4";;;;;;;-1.19;;-6.71;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM406512;MM406512;COC(OC)C(O)CCO;USQNFYODJYICMD-UHFFFAOYSA-N;150.17;-0.65;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_P1";;;;;;;-1.06;;-3.82;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM406513;MM406513;C=CC(CO)N=CNC=O;JHBXRYKFKXLGQO-UHFFFAOYSA-N;142.16;-0.69;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda_P4";;;;;;;-1.19;;-4.91;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM406514;MM406514;CNCC(O)C(OC)OC;BVFIPFBZLHJEHB-UHFFFAOYSA-N;149.19;-0.81;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1_P2";;;;;;;-1.06;;-5.91;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM406515;MM406515;NC=NC=NC(C=O)CO;OQFPGJUFOMEBGC-UHFFFAOYSA-N;143.15;-1.44;;;;;DOPC;MDCG;27;1;"MARTINI bead: P2_P2";;;;;;;-1.34;;-5.55;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM406516;MM406516;CCNC(C)C(CC)CC;IZVQSESZUQXPMS-UHFFFAOYSA-N;143.27;2.42;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_C1";;;;;;;2.91;;-1.14;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM406517;MM406517;N#CC(CO)N=CNC=N;BFHJYPILOBBHLG-UHFFFAOYSA-N;140.15;-0.9;;;;;DOPC;MDCG;27;1;"MARTINI bead: P2_P4";;;;;;;-2.29;;-7.7;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM406518;MM406518;CCNC(C)C(CC)CN;RPVIWGHFJGHTOW-UHFFFAOYSA-N;144.26;0.97;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_Nd";;;;;;;0.87;;-5.27;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM406519;MM406519;O=CNC=NC(C=O)CO;PWFXDHFDACLUJF-UHFFFAOYSA-N;144.13;-1.68;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_P4";;;;;;;-2.29;;-5.95;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM406520;MM406520;CCNC(C)C(CN)CF;IDWCQUASOKPLHJ-UHFFFAOYSA-N;148.23;0.53;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_P1";;;;;;;0.04;;-5.49;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM406521;MM406521;C=CC(CF)N=CNC=O;YXKMXLJQRIYFTL-UHFFFAOYSA-N;144.15;0.28;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_P1";;;;;;;0.04;;-2.54;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM406522;MM406522;CCNC(C)C(CF)CF;UTLGOIMDHMINQW-UHFFFAOYSA-N;151.2;1.54;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_Na";;;;;;;0.87;;-4.59;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM406523;MM406523;CNc1cc(N)c(C)[nH]1;SJJBVSYBQKKCLV-UHFFFAOYSA-N;125.18;0.95;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNd_SNd";;;;;;;0.87;;-2.11;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM406524;MM406524;CCNC(C)C(CO)NC;BVFCXHAICHFFEJ-UHFFFAOYSA-N;146.23;-0.44;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_P2";;;;;;;-0.24;;-5.31;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM406525;MM406525;CC(C)c1cc(N)c[nH]1;QIMWXXHZVZNOHE-UHFFFAOYSA-N;124.19;1.72;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC4_SP1";;;;;;;1.37;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM406526;MM406526;CCNC(C)C(CO)OC;IHMUXNRQPYHTLJ-UHFFFAOYSA-N;147.22;-0.01;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1_Nda";;;;;;;0.04;;-4.81;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM406527;MM406527;CCOC(C)C(CN)CN;VEYUHQVJHVZOKZ-UHFFFAOYSA-N;146.23;-0.05;;;;;DOPC;MDCG;27;1;"MARTINI bead: C5_P3";;;;;;;-0.33;;-4.66;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM406528;MM406528;C=CC=NNC(C=C)CC;NHUQLJKNWGNSTA-UHFFFAOYSA-N;138.21;1.71;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_N0";;;;;;;1.94;;0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM406529;MM406529;CCOC(C)C(CO)NC;KUZCTWPUZHVXPM-UHFFFAOYSA-N;147.22;-0.01;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1_Nda";;;;;;;0.04;;-4.64;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM406530;MM406530;CCC1CC2(O)CC1C2;JVBYPKVALCDXTK-UHFFFAOYSA-N;126.2;1.56;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC1_SNda";;;;;;;2.91;;0.57;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM406531;MM406531;CCC(CO)N(C)CCO;WIAPLKJQQJMSMR-UHFFFAOYSA-N;147.22;-0.32;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nda_P1";;;;;;;0.04;;-4.56;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM406532;MM406532;CCc1cc(NC)c[nH]1;UGJPRZMIKDZKSJ-UHFFFAOYSA-N;124.19;1.62;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC5_SNd";;;;;;;1.64;;0.02;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM406533;MM406533;CCC(CF)N(C)CCN;BRMIFTLYBYQAEB-UHFFFAOYSA-N;148.23;0.63;;;;;DOPC;MDCG;27;1;"MARTINI bead: C4_P3";;;;;;;0.23;;-2.98;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM406534;MM406534;CCc1nc(NC)co1;MBXQJYNSNLIMSC-UHFFFAOYSA-N;126.16;1.28;;;;;DOPC;MDCG;27;0;"MARTINI bead: SN0_SNda";;;;;;;1.17;;-1.13;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM406535;MM406535;CN(CCN)C(CN)CO;ZMFBPCBVIXPQME-UHFFFAOYSA-N;147.22;-1.8;;;;;DOPC;MDCG;27;1;"MARTINI bead: P3_P2";;;;;;;-2.2;;-7.3;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM406536;MM406536;N#CC#CC1NC1C=O;FVCGDXKWDYESBI-UHFFFAOYSA-N;120.11;-0.95;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP2_N0";;;;;;;0.06;;-2.21;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM406537;MM406537;CN(CCN)C(CO)CO;RMQXJECWTWXLNM-UHFFFAOYSA-N;148.21;-1.77;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1_P3";;;;;;;-1.93;;-6.69;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM406538;MM406538;CCC(C=O)NN=CC#N;HYYMGHDJPGIKLD-UHFFFAOYSA-N;139.16;0.06;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_P2";;;;;;;0.54;;-1.09;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM406539;MM406539;C=CCC(C)C(CN)CF;OGRMKATUIAJVBV-UHFFFAOYSA-N;145.22;1.74;;;;;DOPC;MDCG;27;1;"MARTINI bead: C1_P1";;;;;;;2.08;;-1.1;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM406540;MM406540;C=CC=NNC(C=C)CN;XMLLWBQMOZALQK-UHFFFAOYSA-N;139.2;0.26;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_Nd";;;;;;;0.87;;-3.71;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM406541;MM406541;CC(CC=O)C(CO)CF;LSRTXWYIXXLJDR-UHFFFAOYSA-N;148.18;0.79;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_P1";;;;;;;0.81;;-0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM406542;MM406542;CCN1C2CC(=O)CC21;WTJLNDKEVGHCRI-UHFFFAOYSA-N;125.17;0.42;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNd_SNa";;;;;;;0.87;;-1.88;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM406543;MM406543;CC(CC=O)C(CF)CF;UBWGQANBMDBXMT-UHFFFAOYSA-N;150.17;1.77;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_Na";;;;;;;1.64;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM406544;MM406544;C=CC(CO)NN=CC#N;LWYGEIYFLAWLEE-UHFFFAOYSA-N;139.16;-0.37;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda_P2";;;;;;;-0.24;;-3.31;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM406545;MM406545;C=CCC(N)C(CC)CN;VSPIBBJGNYHBPH-UHFFFAOYSA-N;142.25;0.87;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_Nd";;;;;;;0.87;;-5.02;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM406546;MM406546;CCC(C)(C)NN=CC=O;SNKBHQPGNUMQCP-UHFFFAOYSA-N;142.2;0.95;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1_P1";;;;;;;2.08;;0.48;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM406547;MM406547;C=CCC(N)C(CC)CO;UNIBJJIDONUIIR-UHFFFAOYSA-N;143.23;0.91;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nda_Nd";;;;;;;0.87;;-4.59;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM406548;MM406548;C=CC(C)=CC(O)C(C)C;BCAQPMSRGREUEC-UHFFFAOYSA-N;140.23;2.14;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda_C3";;;;;;;2.57;;0.44;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM406549;MM406549;C=CCC(N)C(CC)CF;YLWMYRRDZIDFRH-UHFFFAOYSA-N;145.22;1.89;;;;;DOPC;MDCG;27;1;"MARTINI bead: C4_Nd";;;;;;;2.2;;-2.38;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM406550;MM406550;CC1(O)CCC(=CC#N)C1;LSZGQTOMTFDDSJ-UHFFFAOYSA-N;137.18;1.37;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNda_SC5";;;;;;;1.64;;0.05;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM406551;MM406551;C=CCC(N)C(CN)CF;HHRDBWLRHYJCNS-UHFFFAOYSA-N;146.21;0.43;;;;;DOPC;MDCG;27;1;"MARTINI bead: P2_Nda";;;;;;;-0.24;;-6.1;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM406552;MM406552;C=CC(CF)NN=CC#N;VIWZHYUOKNEFNB-UHFFFAOYSA-N;141.15;0.61;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_P2";;;;;;;0.54;;-1.09;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM406553;MM406553;C=CCC(O)C(CO)CO;KKAMUMMJXGJYMH-UHFFFAOYSA-N;146.19;-0.48;;;;;DOPC;MDCG;27;0;"MARTINI bead: P3_Nda";;;;;;;-1.1;;-3.97;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM406554;MM406554;C=CC=COC(C=C)CC;YAHWKEBLXHFAQL-UHFFFAOYSA-N;138.21;2.67;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_C4";;;;;;;2.97;;0.45;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM406555;MM406555;O=CCC(O)C(CO)CO;PFKBQYVPOPJVSC-UHFFFAOYSA-N;148.16;-1.46;;;;;DOPC;MDCG;27;0;"MARTINI bead: P3_P2";;;;;;;-2.2;;-5.19;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM406556;MM406556;C=CC(CC)OC=CC=O;YTKSRGFPIDRUQS-UHFFFAOYSA-N;140.18;1.68;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1_P2";;;;;;;1.8;;0.4;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM406557;MM406557;N#CCC(O)C(CO)CO;NYVVEFHGIDVSOF-UHFFFAOYSA-N;145.16;-1.14;;;;;DOPC;MDCG;27;0;"MARTINI bead: P3_P1";;;;;;;-1.93;;-4.72;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM406558;MM406558;C=CC(CC)OC=CC#N;YWJMBWMLDBDROO-UHFFFAOYSA-N;137.18;2;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_N0";;;;;;;1.94;;0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM406559;MM406559;C=CCC(F)C(CN)CN;VHYLWBQXOGDRCG-UHFFFAOYSA-N;146.21;0.43;;;;;DOPC;MDCG;27;1;"MARTINI bead: P3_C5";;;;;;;-0.33;;-4.65;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM406560;MM406560;C=CC=COC(C=O)CC;KRZDCXWYIJALKM-UHFFFAOYSA-N;140.18;1.68;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_Na";;;;;;;1.64;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM406561;MM406561;C=CCC(F)C(CN)CF;AMUPZXAPEQTROK-UHFFFAOYSA-N;149.18;1.45;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1_C5";;;;;;;0.81;;-3.13;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM406562;MM406562;C=CC=COC(C#N)CC;UKARNMOXZXGDMS-UHFFFAOYSA-N;137.18;2;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_C4";;;;;;;1.37;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM406563;MM406563;N#CCC(F)C(CO)CO;CIIWFLHJTIRYHT-UHFFFAOYSA-N;147.15;-0.16;;;;;DOPC;MDCG;27;0;"MARTINI bead: P3_Na";;;;;;;-1.1;;-4.2;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM406564;MM406564;CCC(C=O)OC=CC=O;XLJGGPHENRLJHF-UHFFFAOYSA-N;142.15;0.69;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_P2";;;;;;;0.54;;-1.09;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM406565;MM406565;C=CCC(C)C(CF)NC;YOULYHVJTUTMTC-UHFFFAOYSA-N;145.22;1.76;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1_C1";;;;;;;2.08;;-0.29;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM406566;MM406566;CCC(C=O)OC=CC#N;SCYRPYPKKPUIEE-UHFFFAOYSA-N;139.15;1.02;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_P2";;;;;;;0.54;;-1.09;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM406567;MM406567;CNC(CF)C(C)CC=O;KDHSZMIIXQSZHX-UHFFFAOYSA-N;147.19;0.77;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1_C5";;;;;;;0.81;;-2.03;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM406568;MM406568;CCC(C#N)OC=CC#N;BPQFVCGNUQCXFZ-UHFFFAOYSA-N;136.15;1.34;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_N0";;;;;;;0.34;;-1.53;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM406569;MM406569;C=CCC(N)C(CC)NC;HUDIJJANMCITJD-UHFFFAOYSA-N;142.25;0.89;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_Nd";;;;;;;0.87;;-5.11;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM406570;MM406570;C=CC=COC(C=C)CN;LUPWWMOQPMIPDM-UHFFFAOYSA-N;139.2;1.22;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_Na";;;;;;;0.87;;-3.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM406571;MM406571;CCC(NC)C(O)CC#N;SNXHXZQMSAGRNE-UHFFFAOYSA-N;142.2;0.26;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_P2";;;;;;;-0.24;;-4.94;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM406572;MM406572;C=CC(CO)OC=CC#N;VCQGJHRJOAMFNQ-UHFFFAOYSA-N;139.15;0.59;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_N0";;;;;;;0.34;;-1.53;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM406573;MM406573;CNC(CO)C(O)CC#N;BTQGBTHYGSFACT-UHFFFAOYSA-N;144.17;-1.16;;;;;DOPC;MDCG;27;1;"MARTINI bead: P2_P2";;;;;;;-1.34;;-5.38;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM406574;MM406574;C=CC=COC(C=O)CO;KWNCFYIONXTXKQ-UHFFFAOYSA-N;142.15;0.26;;;;;DOPC;MDCG;27;0;"MARTINI bead: P4_C4";;;;;;;0.15;;-2.18;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM406575;MM406575;C=CCC(C)C(CO)OC;HKCKNLWVTXRTFS-UHFFFAOYSA-N;144.21;1.21;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_C1";;;;;;;1.8;;0.4;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM406576;MM406576;N#CC(CO)OC=CC=O;NIJMBJYBXHOHBG-UHFFFAOYSA-N;141.13;-0.4;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_Na";;;;;;;-0.24;;-3.24;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM406577;MM406577;C=CCC(O)C(CO)OC;HRPALQJZNMJYGH-UHFFFAOYSA-N;146.19;-0.07;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_Nda";;;;;;;-0.24;;-3.31;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM406578;MM406578;C=CC=COC(C=C)CF;HMILSNDRLYHRLP-UHFFFAOYSA-N;142.17;2.23;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_Na";;;;;;;1.64;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM406579;MM406579;COC(CO)C(O)CC=O;WNCZRKYOGZPEHS-UHFFFAOYSA-N;148.16;-1.06;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_P2";;;;;;;-1.34;;-4.31;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM406580;MM406580;N#CC=COC(C=O)CF;OBYQABLKXVYSTA-UHFFFAOYSA-N;143.12;0.58;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_Na";;;;;;;0.87;;-2.22;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM406581;MM406581;COC(CO)C(O)CC#N;YTPBBOCIQNVRMY-UHFFFAOYSA-N;145.16;-0.73;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_P2";;;;;;;-1.34;;-4.31;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM406582;MM406582;COC(CF)C(O)CC#N;LQOXGAKSXUTSHN-UHFFFAOYSA-N;147.15;0.25;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_P2";;;;;;;-0.24;;-3.24;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM406583;MM406583;C=CC(CC)OC=NN=C;MZEUCOALNWCQDW-UHFFFAOYSA-N;140.19;1.61;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_N0";;;;;;;1.94;;0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM406584;MM406584;C=CCC(F)C(CN)OC;LXYOLHIMOJRKQZ-UHFFFAOYSA-N;147.19;0.87;;;;;DOPC;MDCG;27;1;"MARTINI bead: P2_C5";;;;;;;0.54;;-3.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM406585;MM406585;C=NN=COC(C=O)CC;OVUDUBVQPWOUML-UHFFFAOYSA-N;142.16;0.62;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_P1";;;;;;;0.81;;-0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM406586;MM406586;C=CCC(F)C(CO)OC;DHLFMGQOTCWQOY-UHFFFAOYSA-N;148.18;0.91;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_C5";;;;;;;0.54;;-1.09;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM406587;MM406587;C=NN=COC(C#N)CF;LZRNPZICBZJRBI-UHFFFAOYSA-N;143.12;0.51;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_Na";;;;;;;0.87;;-2.22;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM406588;MM406588;COC(CO)C(F)CC#N;YDUIQIXSXITNBI-UHFFFAOYSA-N;147.15;0.25;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_Na";;;;;;;-0.24;;-3.24;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM406589;MM406589;C=CC=COC(C=C)OC;PGDDGGIWGNSYDF-UHFFFAOYSA-N;140.18;1.86;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_C4";;;;;;;1.37;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM406590;MM406590;NN=CC=NOC=NN;XRASUAXYHDJSNI-UHFFFAOYSA-N;129.12;-1.16;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_Nd";;;;;;;-0.24;;-3.16;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM406591;MM406591;C=CC=COC(C=O)OC;RFIHEGXLGRFPQY-UHFFFAOYSA-N;142.15;0.87;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_C4";;;;;;;1.09;;-0.38;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM406592;MM406592;CC(NC=O)C(CN)CF;VQHUMYYQYKZBCV-UHFFFAOYSA-N;148.18;-0.33;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1_P1";;;;;;;-0.79;;-5.43;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM406593;MM406593;COC(C#N)OC=CC=O;DMARJLWDQMAGJG-UHFFFAOYSA-N;141.13;0.21;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_Na";;;;;;;0.87;;-2.22;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM406594;MM406594;CCC(OC)C(C)NC=N;VAZOJXFTUOACIH-UHFFFAOYSA-N;144.22;1;;;;;DOPC;MDCG;27;1;"MARTINI bead: C1_P3";;;;;;;0.94;;-3.32;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM406595;MM406595;C=CC=NOC(C=C)CC;NDGXKGTZEHHGGZ-UHFFFAOYSA-N;139.2;2.14;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1_Na";;;;;;;2.91;;0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM406596;MM406596;COC(CF)C(C)NC=N;LOGHUOSCYKDLTF-UHFFFAOYSA-N;148.18;0.56;;;;;DOPC;MDCG;27;1;"MARTINI bead: Na_P2";;;;;;;-0.24;;-6.81;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM406597;MM406597;C=CC(CC)ON=CC=O;BVQWULQSCVFQKZ-UHFFFAOYSA-N;141.17;1.15;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1_P1";;;;;;;2.08;;0.48;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM406598;MM406598;C=NNC(C)C(CC)OC;GVLGATWCBMLJFJ-UHFFFAOYSA-N;144.22;1.01;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_Nd";;;;;;;0.87;;-1.88;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM406599;MM406599;C=CC(CC)ON=CC#N;KMHCIUIZKIHTQD-UHFFFAOYSA-N;138.17;1.48;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1_P2";;;;;;;1.8;;0.4;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM406600;MM406600;COC(OC)C(C)NC=O;MTCQRPWEAWLUGX-UHFFFAOYSA-N;147.17;-0.26;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_P1";;;;;;;-0.79;;-3.13;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM406601;MM406601;CN(N)C=NC(=O)CCF;ZFAWTZJQQRUQBD-UHFFFAOYSA-N;147.15;-0.29;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_Na";;;;;;;-0.24;;-3.24;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM406602;MM406602;C=COC(C)C(CC)CN;YVROFJYPZYFBIZ-UHFFFAOYSA-N;143.23;1.52;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_C5";;;;;;;1.64;;-2.63;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM406603;MM406603;C=CC=NOC(C#N)CC;FBGNQPRGPVUGAZ-UHFFFAOYSA-N;138.17;1.48;;;;;DOPC;MDCG;27;0;"MARTINI bead: N0_Na";;;;;;;1.17;;-1.18;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM406604;MM406604;CCC(CN)C(C)OC=O;QKBPOUVEVJGPFV-UHFFFAOYSA-N;145.2;0.53;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_Na";;;;;;;0.87;;-4.61;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM406605;MM406605;C=NOC(=NC(C)=N)NC;WLSILQSBAFODEO-UHFFFAOYSA-N;142.16;0.19;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_Nda";;;;;;;-0.24;;-3.31;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM406606;MM406606;CC(OC=O)C(CN)CN;UXAZJCHQZLEAFZ-UHFFFAOYSA-N;146.19;-0.92;;;;;DOPC;MDCG;27;1;"MARTINI bead: Na_P3";;;;;;;-1.1;;-6.83;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM406607;MM406607;CCC(C=O)ON=CC#N;PCXUSKMDFYGMBA-UHFFFAOYSA-N;140.14;0.49;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_P2";;;;;;;0.54;;-1.09;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM406608;MM406608;C=NOC(C)C(CC)CC;FORQQVRFEAVIPP-UHFFFAOYSA-N;143.23;2.44;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1_Na";;;;;;;2.91;;0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM406609;MM406609;CCC(C#N)ON=CC=O;GBTBLWFTZFSOST-UHFFFAOYSA-N;140.14;0.49;;;;;DOPC;MDCG;27;0;"MARTINI bead: N0_P1";;;;;;;0.34;;-1.53;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM406610;MM406610;C=NOC(C)C(CC)CN;ZXMFFQVEGXEBKE-UHFFFAOYSA-N;144.22;0.99;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_Na";;;;;;;0.87;;-4.61;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM406611;MM406611;CCC(C#N)ON=CC#N;DYPGPLMRSDWSTC-UHFFFAOYSA-N;137.14;0.81;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_P1";;;;;;;0.81;;-0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM406612;MM406612;CCC(NC)C(C)OC=O;IVXZQIYWHPGZEP-UHFFFAOYSA-N;145.2;0.55;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_Na";;;;;;;0.87;;-4.16;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM406613;MM406613;C=CC=NOC(C=C)CN;WSNYHPIATXIHTN-UHFFFAOYSA-N;140.19;0.69;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_Na";;;;;;;0.87;;-3.33;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM406614;MM406614;C=NOC(C)C(CO)NC;GPXWOZYYMGRENO-UHFFFAOYSA-N;146.19;-0.41;;;;;DOPC;MDCG;27;1;"MARTINI bead: P2_Na";;;;;;;-0.24;;-4.28;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM406615;MM406615;CCC(=NC(C)=O)N(C)N;BFWGMUJWCHCFOO-UHFFFAOYSA-N;143.19;0.15;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_P2";;;;;;;0.54;;-1.09;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM406616;MM406616;C=COC(C)C(CO)OC;ATCKDWBYGFIXDB-UHFFFAOYSA-N;146.19;0.54;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_C5";;;;;;;0.54;;-1.09;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM406617;MM406617;C=CC(CO)ON=CC#N;DVIISRGDXLLULL-UHFFFAOYSA-N;140.14;0.06;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_N0";;;;;;;0.06;;-2.21;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM406618;MM406618;COC(CO)C(C)OC=O;GLDFLCRSXOJCQQ-UHFFFAOYSA-N;148.16;-0.44;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_Na";;;;;;;-0.24;;-3.24;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM406619;MM406619;C=NNC(C)=C(C)N=NC;WFWVWNCDUFSOCI-UHFFFAOYSA-N;140.19;1.53;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_C4";;;;;;;1.09;;-0.38;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM406620;MM406620;C=CCN(C)C(CC)CO;NHABHPVTRWWTKA-UHFFFAOYSA-N;143.23;0.88;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nda_Nd";;;;;;;0.87;;-3.68;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM406621;MM406621;N#CC(CO)ON=CC=O;VXIGLSMOZBYCKC-UHFFFAOYSA-N;142.11;-0.93;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_P1";;;;;;;-1.06;;-3.82;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM406622;MM406622;C#CC=NN(C)CC(C)=O;PUOBGCOFINJWBQ-UHFFFAOYSA-N;138.17;0.13;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_Na";;;;;;;0.04;;-2.54;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM406623;MM406623;C=CC(CF)ON=CC=O;CTUPGKAACLIGLE-UHFFFAOYSA-N;145.13;0.71;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_P1";;;;;;;0.81;;-0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM406624;MM406624;CCC(CN)N(C)NC=N;QHQZEFJRZMNZBD-UHFFFAOYSA-N;144.22;-0.23;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_P4";;;;;;;-1.19;;-7.58;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM406625;MM406625;C=CC(CF)ON=CC#N;FNHFFUJKPGNAPN-UHFFFAOYSA-N;142.13;1.04;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_P2";;;;;;;0.54;;-1.09;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM406626;MM406626;CCC(CN)N(C)NC=O;ALVKICJKFGZERQ-UHFFFAOYSA-N;145.21;-0.68;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_P4";;;;;;;-1.19;;-6.41;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM406627;MM406627;N#CC(CF)ON=CC=O;COCYQPMVJXLGEI-UHFFFAOYSA-N;144.11;0.05;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_P1";;;;;;;0.04;;-2.54;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM406628;MM406628;CCC(CO)N(C)NC=N;IVFJOAQLFNZDLC-UHFFFAOYSA-N;145.21;-0.2;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nda_P4";;;;;;;-1.19;;-7.51;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM406629;MM406629;C=CC=NOC(C=C)OC;YMSNJZXZKKLYQF-UHFFFAOYSA-N;141.17;1.33;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_Na";;;;;;;0.87;;-2.22;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM406630;MM406630;CCC(CF)N(C)NC=O;GNHAXALBZFPMPI-UHFFFAOYSA-N;148.18;0.33;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_Na";;;;;;;0.04;;-2.54;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM406631;MM406631;C=CC(OC)ON=CC=O;KEYONKMZUBWOOR-UHFFFAOYSA-N;143.14;0.35;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_N0";;;;;;;0.34;;-1.53;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM406632;MM406632;CN(NC=N)C(CO)CO;YYLDRGDPSLACEI-UHFFFAOYSA-N;147.18;-1.62;;;;;DOPC;MDCG;27;1;"MARTINI bead: P4_P3";;;;;;;-3.15;;-9.54;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM406633;MM406633;C=CC=CCN(C=N)CC;YRCOHSOSUNKOHB-UHFFFAOYSA-N;138.21;1.66;;;;;DOPC;MDCG;27;1;"MARTINI bead: P2_C1";;;;;;;1.8;;-2.69;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM406634;MM406634;CN(NC=O)C(CO)CO;QNLQCWNHPFCALD-UHFFFAOYSA-N;148.16;-2.07;;;;;DOPC;MDCG;27;0;"MARTINI bead: P3_P2";;;;;;;-2.2;;-5.19;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM406635;MM406635;CCN(C=N)CC=CC#N;VVPZLJFMPPFIJY-UHFFFAOYSA-N;137.19;1;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_N0";;;;;;;1.17;;-4.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM406636;MM406636;C#CCC(C)C(CN)CF;BMKOQARDRNSVDC-UHFFFAOYSA-N;143.21;1.19;;;;;DOPC;MDCG;27;1;"MARTINI bead: C3_P1";;;;;;;1.74;;-2.04;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM406637;MM406637;C=CC=CCN(C=O)CC;SUHUTWMOZMFVLX-UHFFFAOYSA-N;139.2;1.21;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_C4";;;;;;;1.37;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM406638;MM406638;C#CCC(N)C(CC)CC;PJPLDEGTCFGUOE-UHFFFAOYSA-N;139.24;1.77;;;;;DOPC;MDCG;27;1;"MARTINI bead: C1_Nd";;;;;;;2.91;;-0.51;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM406639;MM406639;CCN(C=O)CC=CC#N;YIFQVZZVHWRZNW-UHFFFAOYSA-N;138.17;0.54;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_N0";;;;;;;0.34;;-1.53;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM406640;MM406640;C#CCC(N)C(CC)CN;SIVQKBVWDWRYKL-UHFFFAOYSA-N;140.23;0.32;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1_N0";;;;;;;0.34;;-4.27;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM406641;MM406641;C=NN=CCN(C=O)CC;XDYCJUSWZREGQY-UHFFFAOYSA-N;141.17;0.15;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_N0";;;;;;;0.34;;-1.53;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM406642;MM406642;C#CCC(O)C(CF)CF;SCCAAWRODYOCOE-UHFFFAOYSA-N;148.15;0.93;;;;;DOPC;MDCG;27;0;"MARTINI bead: N0_P1";;;;;;;0.34;;-1.53;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM406643;MM406643;C=CC=CCN(CC)N=C;CNDWYXHQERHPAN-UHFFFAOYSA-N;138.21;1.67;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_C4";;;;;;;1.37;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM406644;MM406644;C#CCC(F)C(CN)CO;PHHYBJZHFDHKNF-UHFFFAOYSA-N;145.18;-0.09;;;;;DOPC;MDCG;27;1;"MARTINI bead: P2_Na";;;;;;;-0.24;;-5.58;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM406645;MM406645;C=CC=CCN(C=N)NC;OVVBKQGMIQXDMU-UHFFFAOYSA-N;139.2;0.77;;;;;DOPC;MDCG;27;1;"MARTINI bead: P4_C4";;;;;;;0.15;;-4.21;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM406646;MM406646;C#CCC(C)C(CC)NC;MUSOYPKLRNCGBL-UHFFFAOYSA-N;139.24;1.64;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_C3";;;;;;;2.57;;-2.15;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM406647;MM406647;C=CC=CCN(C=O)NC;IUPFJENYQKEUHJ-UHFFFAOYSA-N;140.19;0.32;;;;;DOPC;MDCG;27;0;"MARTINI bead: P3_C4";;;;;;;0.23;;-1.03;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM406648;MM406648;C#CCC(O)C(CC)NC;YDGWUKXKRPNSAH-UHFFFAOYSA-N;141.21;0.37;;;;;DOPC;MDCG;27;1;"MARTINI bead: P2_C5";;;;;;;0.54;;-3.79;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM406649;MM406649;C=NN=CCN(C=N)NC;JENUZHQJZBPUMC-UHFFFAOYSA-N;141.18;-0.28;;;;;DOPC;MDCG;27;1;"MARTINI bead: P4_N0";;;;;;;-0.88;;-5.38;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM406650;MM406650;C#CCC(F)C(CO)NC;QEKXXEGFCAYDRF-UHFFFAOYSA-N;145.18;-0.07;;;;;DOPC;MDCG;27;1;"MARTINI bead: P2_Na";;;;;;;-0.24;;-4.29;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM406651;MM406651;C=NN=CCN(C=O)NC;MNTNGLYGBWFBAR-UHFFFAOYSA-N;142.16;-0.73;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_P4";;;;;;;-0.41;;-2.78;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM406652;MM406652;C#CCC(C)C(CO)OC;BVJPIIXODKRTEE-UHFFFAOYSA-N;142.2;0.65;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda_N0";;;;;;;1.17;;-1.13;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM406653;MM406653;C=NN=CCN(C=O)OC;IOYYWCCSZRTUDU-UHFFFAOYSA-N;143.15;-0.31;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_N0";;;;;;;0.06;;-2.21;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM406654;MM406654;C#CCC(O)C(CO)OC;SAGKVYLQRQOHSQ-UHFFFAOYSA-N;144.17;-0.62;;;;;DOPC;MDCG;27;0;"MARTINI bead: P3_N0";;;;;;;-0.8;;-2.99;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM406655;MM406655;C=NOC(=NNC)OCC;PHRLLMYTTRRGEK-UHFFFAOYSA-N;145.16;0.15;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_P1";;;;;;;0.81;;-0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM406656;MM406656;C#CCC(C)C(OC)OC;DWMKXOUSCFWKGI-UHFFFAOYSA-N;142.2;1.26;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_C3";;;;;;;1.74;;0.29;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM406657;MM406657;C#CC=CCC(C=C)CC;HCHLPPBZCHUYEN-UHFFFAOYSA-N;134.22;2.78;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1_C4";;;;;;;4.24;;0.42;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM406658;MM406658;C=CC(CC)C(C)CCC;IGKYTNLCNATYQG-UHFFFAOYSA-N;140.27;3.63;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1_C1";;;;;;;4.95;;0.69;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM406659;MM406659;C#CC=CCC(C=O)CC;PPMYFDLNTYBKMR-UHFFFAOYSA-N;136.19;1.79;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_C4";;;;;;;2.97;;0.45;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM406660;MM406660;C=CC(CC)C(C)CCN;HCTPSYFHQCOFNK-UHFFFAOYSA-N;141.26;2.18;;;;;DOPC;MDCG;27;1;"MARTINI bead: C1_Nd";;;;;;;2.91;;-0.55;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM406661;MM406661;C#CC=CCC(C#N)CC;ZKZYPCXLFADSAF-UHFFFAOYSA-N;133.19;2.12;;;;;DOPC;MDCG;27;0;"MARTINI bead: N0_C4";;;;;;;2.5;;0.44;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM406662;MM406662;CCC(C=O)C(C)CCF;GCBHBZVGLIQNNN-UHFFFAOYSA-N;146.21;2.21;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_C4";;;;;;;2.97;;0.45;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM406663;MM406663;C#CC=CCC(C=C)CN;YYOSMQNJGFTTOC-UHFFFAOYSA-N;135.21;1.33;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_C4";;;;;;;2.2;;-2.18;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM406664;MM406664;CCC(C#N)C(C)CCF;KFZWZUNUBYQEAC-UHFFFAOYSA-N;143.21;2.53;;;;;DOPC;MDCG;27;0;"MARTINI bead: N0_C4";;;;;;;2.5;;0.44;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM406665;MM406665;CNN=c1oc(=N)n(N)o1;WTGRDLOTRSQPOG-UHFFFAOYSA-N;145.12;-2.1;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_SP2";;;;;;;-1.34;;-4.31;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM406666;MM406666;C=CC(CN)C(C)CCF;HZPKUKYESMPLPI-UHFFFAOYSA-N;145.22;1.74;;;;;DOPC;MDCG;27;1;"MARTINI bead: C1_P2";;;;;;;1.8;;-1.63;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM406667;MM406667;C#CC=CCC(C=C)CF;UGCVNMGEEJVJDU-UHFFFAOYSA-N;138.19;2.34;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_C4";;;;;;;2.97;;0.45;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM406668;MM406668;CC(CCO)C(C#N)CO;UIMOUGJIDHBLFV-UHFFFAOYSA-N;143.19;0.14;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda_P2";;;;;;;-0.24;;-3.31;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM406669;MM406669;C#CC=CCC(C=O)CF;HWAQRSCKSMZORJ-UHFFFAOYSA-N;140.16;1.35;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_C4";;;;;;;1.37;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM406670;MM406670;C=CC(CF)C(C)CCF;BFHZQJYXTJWSDJ-UHFFFAOYSA-N;148.2;2.75;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4_C5";;;;;;;2.97;;0.45;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM406671;MM406671;C#CC=CCC(C#N)CF;WHVZDRCDBIMZAS-UHFFFAOYSA-N;137.16;1.68;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_C4";;;;;;;2.2;;0.34;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM406672;MM406672;CC(CCF)C(C=O)CF;KTMDKPLSWYCGQN-UHFFFAOYSA-N;150.17;1.77;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4_P1";;;;;;;1.37;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM406673;MM406673;C#CC=CCC(C=C)NC;BGBQKIVTPCQIRJ-UHFFFAOYSA-N;135.21;1.34;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_C4";;;;;;;2.2;;-1.88;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM406674;MM406674;C=CC(CC)C(N)CCO;GIYHQAWVVLEAOV-UHFFFAOYSA-N;143.23;0.91;;;;;DOPC;MDCG;27;1;"MARTINI bead: C5_P1";;;;;;;0.81;;-3.15;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM406675;MM406675;C#CC=CCC(C#N)NC;WFBPNMGNDATERG-UHFFFAOYSA-N;134.18;0.68;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_N0";;;;;;;0.34;;-1.53;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM406676;MM406676;C=CC(CC)C(N)CCF;AESYYXHZAOKEEM-UHFFFAOYSA-N;145.22;1.89;;;;;DOPC;MDCG;27;1;"MARTINI bead: C5_N0";;;;;;;1.94;;-1.71;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM406677;MM406677;C#CC=CCC(C=C)OC;RRMFUQOXVNKQMW-UHFFFAOYSA-N;136.19;1.77;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_C4";;;;;;;2.2;;0.34;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM406678;MM406678;C=CC(CF)C(N)CCC;CAKIUKFQDYKBGP-UHFFFAOYSA-N;145.22;1.89;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_C5";;;;;;;1.64;;-2.85;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM406679;MM406679;C#CC=CCC(C#N)OC;VMZHQGBAZSGALL-UHFFFAOYSA-N;135.17;1.1;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_C4";;;;;;;1.37;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM406680;MM406680;C=CC(CF)C(N)CCN;FAEJNKZROSFQCK-UHFFFAOYSA-N;146.21;0.43;;;;;DOPC;MDCG;27;1;"MARTINI bead: P3_C5";;;;;;;-0.33;;-4.79;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM406681;MM406681;CNN=c1cc(F)n(C)o1;QJRFCBMSQFOWPP-UHFFFAOYSA-N;145.14;-0.21;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNa_SP1";;;;;;;0.04;;-2.54;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM406682;MM406682;CCC(C=O)C(O)CCF;VQOWHBNYTSRRKB-UHFFFAOYSA-N;148.18;0.93;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_C5";;;;;;;0.54;;-1.09;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM406683;MM406683;CCCc1cc(N)c(C)[nH]1;IEDOMZHEZSIBFY-UHFFFAOYSA-N;138.21;1.86;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC4_SNd";;;;;;;2.2;;0.32;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM406684;MM406684;C=CC(CN)C(O)CCC;UAKPHLXGIPSVQG-UHFFFAOYSA-N;143.23;0.91;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nda_Nd";;;;;;;0.87;;-4.32;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM406685;MM406685;C#CC=NNC(C=C)CF;DMYYTMQNOLDHCY-UHFFFAOYSA-N;140.16;0.72;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_P1";;;;;;;0.81;;-0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM406686;MM406686;CCCC(O)C(C#N)CO;JATDAYSDJUUUFD-UHFFFAOYSA-N;143.19;0.28;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda_P2";;;;;;;-0.24;;-3.31;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM406687;MM406687;C#CC=COC(C=C)CC;JOLRGOTZUJFAAS-UHFFFAOYSA-N;136.19;2.11;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1_Na";;;;;;;2.91;;0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM406688;MM406688;O=CC(CO)C(O)CCO;LPRRSVCCPPMUTK-UHFFFAOYSA-N;148.16;-1.46;;;;;DOPC;MDCG;27;0;"MARTINI bead: P3_P2";;;;;;;-2.2;;-5.19;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM406689;MM406689;C#CC=COC(C=O)CC;VHRIKIBGHOAXQD-UHFFFAOYSA-N;138.17;1.13;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_Na";;;;;;;1.64;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM406690;MM406690;N#CC(CO)C(O)CCO;NLTHEWNHCJAXHY-UHFFFAOYSA-N;145.16;-1.14;;;;;DOPC;MDCG;27;0;"MARTINI bead: P3_P2";;;;;;;-2.2;;-5.19;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM406691;MM406691;C#CC=COC(C#N)CC;RRCZJPUHSJXIPC-UHFFFAOYSA-N;135.17;1.45;;;;;DOPC;MDCG;27;0;"MARTINI bead: N0_Na";;;;;;;1.17;;-1.18;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM406692;MM406692;N#CC(CF)C(O)CCO;UQMFHONGELPNTJ-UHFFFAOYSA-N;147.15;-0.16;;;;;DOPC;MDCG;27;0;"MARTINI bead: P3_Na";;;;;;;-1.1;;-4.2;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM406693;MM406693;C#CC=COC(C=C)CN;WEGDQWFTDIYSJG-UHFFFAOYSA-N;137.18;0.66;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_Na";;;;;;;0.87;;-3.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM406694;MM406694;C=CC(CC)C(F)CCN;AMQMAWICAWCMDS-UHFFFAOYSA-N;145.22;1.89;;;;;DOPC;MDCG;27;1;"MARTINI bead: C1_P1";;;;;;;2.08;;-1.09;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM406695;MM406695;C#CC=COC(C=C)CO;IIMGHGRDHZDNJO-UHFFFAOYSA-N;138.17;0.7;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda_Na";;;;;;;0.87;;-1.99;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM406696;MM406696;C=CC(CN)C(F)CCC;YPXZDNNLPWATFQ-UHFFFAOYSA-N;145.22;1.89;;;;;DOPC;MDCG;27;1;"MARTINI bead: C4_Nd";;;;;;;2.2;;-2.11;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM406697;MM406697;C#CC=COC(C=C)OC;WWAXEIJTIHMSQN-UHFFFAOYSA-N;138.17;1.31;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_Na";;;;;;;0.87;;-2.22;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM406698;MM406698;C=CC(CN)C(F)CCN;IUTVSXJHJPKAOF-UHFFFAOYSA-N;146.21;0.43;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nda_P2";;;;;;;-0.24;;-6.27;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM406699;MM406699;C#CC=NOC(C=C)CC;QYTGINYGSDJBTJ-UHFFFAOYSA-N;137.18;1.59;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1_P1";;;;;;;2.08;;0.48;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM406700;MM406700;C=CC(CF)C(F)CCF;SGDAPKYQMMKPQP-UHFFFAOYSA-N;152.16;2.46;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_C5";;;;;;;1.64;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM406701;MM406701;C#CC(=C)C1CC1(O)CC;KBASPFDVNIKPKD-UHFFFAOYSA-N;136.19;1.34;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNda_C5";;;;;;;1.64;;0.05;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM406702;MM406702;C=CC(CC)C(C)CNC;CMESGMZIOADNAK-UHFFFAOYSA-N;141.26;2.05;;;;;DOPC;MDCG;27;1;"MARTINI bead: C1_Nd";;;;;;;2.91;;-1.01;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM406703;MM406703;C#CC=NOC(C#N)CF;BFIYVBYXMQHSIK-UHFFFAOYSA-N;140.12;0.48;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_Na";;;;;;;0.87;;-2.22;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM406704;MM406704;CCC(C=O)C(C)CNC;QBIIMSDXSZLVDW-UHFFFAOYSA-N;143.23;1.07;;;;;DOPC;MDCG;27;1;"MARTINI bead: C5_Nd";;;;;;;1.64;;-2.88;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM406705;MM406705;C#CC=NOC(C=C)OC;BTDLYWJNQMTKKT-UHFFFAOYSA-N;139.15;0.78;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_N0";;;;;;;1.17;;-1.18;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM406706;MM406706;C=CC(CO)C(C)CNC;PHUDJAKCIMZEIV-UHFFFAOYSA-N;143.23;0.64;;;;;DOPC;MDCG;27;1;"MARTINI bead: C4_P3";;;;;;;0.23;;-3.95;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM406707;MM406707;C#CC=CCN(C=N)CC;ZCBXEECNLYUNMG-UHFFFAOYSA-N;136.2;1.1;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_N0";;;;;;;1.17;;-4.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM406708;MM406708;CNCC(C)C(C#N)CO;AHHOCPHXINUNQI-UHFFFAOYSA-N;142.2;-0.03;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_P2";;;;;;;-0.24;;-5.14;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM406709;MM406709;C#CC(CC)CC=CCC;INKFTHXVTNSWBS-UHFFFAOYSA-N;136.24;3;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1_C3";;;;;;;4.61;;0.31;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM406710;MM406710;C=CC(CF)C(C)CNC;CBLMLDGOMCRPMQ-UHFFFAOYSA-N;145.22;1.61;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nda_N0";;;;;;;1.17;;-4.41;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM406711;MM406711;C#CC(CC)CC=CCN;OXSKVQWZUGAWHB-UHFFFAOYSA-N;137.23;1.55;;;;;DOPC;MDCG;27;1;"MARTINI bead: C3_Nd";;;;;;;2.57;;-0.97;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM406712;MM406712;C=CC(CF)C(N)CNC;OEIAQCCYVYENPO-UHFFFAOYSA-N;146.21;0.3;;;;;DOPC;MDCG;27;1;"MARTINI bead: P3_C5";;;;;;;-0.33;;-4.75;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM406713;MM406713;C#CC(CC)CC=CCO;IZZHBGTYPJAEQG-UHFFFAOYSA-N;138.21;1.58;;;;;DOPC;MDCG;27;0;"MARTINI bead: C2_Nda";;;;;;;2.83;;0.57;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM406714;MM406714;CNCC(O)C(C#N)CO;AGHAUIOFZNTWQI-UHFFFAOYSA-N;144.17;-1.3;;;;;DOPC;MDCG;27;1;"MARTINI bead: P2_P2";;;;;;;-1.34;;-5.57;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM406715;MM406715;C#CC(CC)CC=CCF;QXLQUJBDDNJATQ-UHFFFAOYSA-N;140.2;2.56;;;;;DOPC;MDCG;27;0;"MARTINI bead: C3_C4";;;;;;;3.9;;0.47;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM406716;MM406716;C=CC(CN)C(F)CNC;PQIMYYJIJJGJJK-UHFFFAOYSA-N;146.21;0.3;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1_Nd";;;;;;;0.04;;-5.35;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM406717;MM406717;C#CC(CN)CC=CCC;OYKCAJIRYFWBHU-UHFFFAOYSA-N;137.23;1.55;;;;;DOPC;MDCG;27;1;"MARTINI bead: C1_Nd";;;;;;;2.91;;-0.26;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM406718;MM406718;C=CC(CF)C(F)CNC;BENPULKUMJGKJX-UHFFFAOYSA-N;149.18;1.32;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1_C5";;;;;;;0.81;;-2.1;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM406719;MM406719;C#CC(CN)CC=CCF;FKMHZGJADULZPP-UHFFFAOYSA-N;141.19;1.11;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_Na";;;;;;;0.87;;-4.35;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM406720;MM406720;C=CC(CC)C(C)COC;GKEBUUKDWWCNIY-UHFFFAOYSA-N;142.24;2.48;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1_Na";;;;;;;2.91;;0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM406721;MM406721;C#CC1(CF)CC(C=O)N1;HPYCZWPCIHCAHJ-UHFFFAOYSA-N;141.15;-0.11;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP1_SP2";;;;;;;-1.06;;-3.82;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM406722;MM406722;CCC(C=O)C(C)COC;CVZNZGJAFVRRCG-UHFFFAOYSA-N;144.21;1.49;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_Na";;;;;;;1.64;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM406723;MM406723;C#CC(CO)CC=CCO;TYGWSTLREJMMLZ-UHFFFAOYSA-N;140.18;0.17;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_Nda";;;;;;;0.04;;-2.73;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM406724;MM406724;COCC(C)C(C#N)CO;AHUMFVUBRTVHAJ-UHFFFAOYSA-N;143.19;0.4;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_Nda";;;;;;;0.04;;-2.73;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM406725;MM406725;C=CC(C)C(C)C(O)C=C;LSMSZGZTOKHRSU-UHFFFAOYSA-N;140.23;1.99;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1_Nda";;;;;;;2.91;;0.57;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM406726;MM406726;C=CC(CC)C(N)COC;XBNBEZVFPHQNJW-UHFFFAOYSA-N;143.23;1.17;;;;;DOPC;MDCG;27;1;"MARTINI bead: C1_P2";;;;;;;1.8;;-1.21;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM406727;MM406727;C#CC(CF)CC=CCC;SLEWAIPHEKJYLM-UHFFFAOYSA-N;140.2;2.56;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1_Na";;;;;;;2.91;;0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM406728;MM406728;COCC(O)C(C#N)CO;MZVQHRZXFZLCHW-UHFFFAOYSA-N;145.16;-0.87;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_P2";;;;;;;-1.34;;-4.31;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM406729;MM406729;C#CC(CF)CC=CCO;KZGAGGFYQPSWLD-UHFFFAOYSA-N;142.17;1.14;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda_Na";;;;;;;0.87;;-1.99;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM406730;MM406730;COCC(O)C(C#N)CF;NPXBDMMTEIJIQL-UHFFFAOYSA-N;147.15;0.1;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_Na";;;;;;;-0.24;;-3.24;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM406731;MM406731;C#CC(CC)CC=COC;FTPOQBKFPXUACF-UHFFFAOYSA-N;138.21;2.2;;;;;DOPC;MDCG;27;0;"MARTINI bead: C3_C5";;;;;;;3.34;;0.48;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM406732;MM406732;C=CC(CN)C(F)COC;ZARAJQFQIRAWOO-UHFFFAOYSA-N;147.19;0.73;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1_Nda";;;;;;;0.04;;-5.39;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM406733;MM406733;C#CC(CN)CC=COC;GFZXABWRPWEQBP-UHFFFAOYSA-N;139.2;0.74;;;;;DOPC;MDCG;27;1;"MARTINI bead: Na_Nd";;;;;;;0.87;;-4.35;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM406734;MM406734;COCC(F)C(C#N)CO;VZHLZQYNJDZIAT-UHFFFAOYSA-N;147.15;0.1;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_P2";;;;;;;-0.24;;-3.24;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM406735;MM406735;C#CC(CN)CC=NNC;WMIISLPAZUVVNY-UHFFFAOYSA-N;139.2;-0.21;;;;;DOPC;MDCG;27;1;"MARTINI bead: P2_Nd";;;;;;;-0.24;;-5.61;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM406736;MM406736;C=CC(NC)C(C)CCF;NPOOQYGGMSGMQF-UHFFFAOYSA-N;145.22;1.76;;;;;DOPC;MDCG;27;1;"MARTINI bead: C5_Na";;;;;;;1.64;;-2.6;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM406737;MM406737;CNN=COC(C)(C)CF;JQJHJGWYCNLDPZ-UHFFFAOYSA-N;148.18;0.91;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_C4";;;;;;;1.09;;-0.38;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM406738;MM406738;C=CC=CC(O)C(C)CC;UELXMUGUXVUGBA-UHFFFAOYSA-N;140.23;2.14;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1_Nda";;;;;;;2.91;;0.57;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM406739;MM406739;C=CC(NC)C(F)CCN;HCUNNXCVUVLGOF-UHFFFAOYSA-N;146.21;0.45;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_P1";;;;;;;0.04;;-5.35;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM406740;MM406740;C#CC(CF)CC=NNC;AJMYWELSMKHNOR-UHFFFAOYSA-N;142.18;0.8;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_C5";;;;;;;0.54;;-1.09;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM406741;MM406741;CNCC(C)C(C#N)NC;QCCRZUBDIFGFAO-UHFFFAOYSA-N;141.22;-0.05;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_P2";;;;;;;-0.24;;-5.07;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM406742;MM406742;C#CC(CC)CC=NOC;LNQSEJPSNZRICS-UHFFFAOYSA-N;139.2;1.67;;;;;DOPC;MDCG;27;0;"MARTINI bead: C3_Na";;;;;;;2.57;;0.45;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM406743;MM406743;C=CC(NC)C(O)CNC;GEPATPKPCIHLPQ-UHFFFAOYSA-N;144.22;-0.66;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1_P2";;;;;;;-1.06;;-6.09;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM406744;MM406744;C#CC(CF)CC=NOC;BAASIJSGIZIEGV-UHFFFAOYSA-N;143.16;1.23;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_Na";;;;;;;0.87;;-2.22;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM406745;MM406745;CNCC(O)C(C#N)NC;QKGMTTKLTGGMFG-UHFFFAOYSA-N;143.19;-1.32;;;;;DOPC;MDCG;27;1;"MARTINI bead: P2_P2";;;;;;;-1.34;;-5.5;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM406746;MM406746;C#CC(CC=CCC)NC;FYJMUJWSOIZITH-UHFFFAOYSA-N;137.23;1.56;;;;;DOPC;MDCG;27;1;"MARTINI bead: C1_P2";;;;;;;1.8;;-0.82;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM406747;MM406747;C=CC(C)(C)OC=NNC;BVODKVSXDNPLSR-UHFFFAOYSA-N;142.2;1.13;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_C5";;;;;;;0.54;;-1.09;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM406748;MM406748;C#CC(CC=CCO)NC;IRHJJDHMFQDQIE-UHFFFAOYSA-N;139.2;0.15;;;;;DOPC;MDCG;27;1;"MARTINI bead: P2_Nda";;;;;;;-0.24;;-5.22;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM406749;MM406749;COC(C=O)C(O)CCO;GQORUJNXSCUWIM-UHFFFAOYSA-N;148.16;-1.06;;;;;DOPC;MDCG;27;0;"MARTINI bead: P3_P1";;;;;;;-1.93;;-4.72;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM406750;MM406750;C#CC(CC=CCF)NC;FSABHQDRPLPILP-UHFFFAOYSA-N;141.19;1.12;;;;;DOPC;MDCG;27;1;"MARTINI bead: P2_C4";;;;;;;1.09;;-2.25;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM406751;MM406751;COC(C#N)C(O)CCO;ORSWBZXXBJPKDA-UHFFFAOYSA-N;145.16;-0.73;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_P1";;;;;;;-1.06;;-3.82;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM406752;MM406752;C#CC(CC=COC)NC;QXWGHBZKWPUMFJ-UHFFFAOYSA-N;139.2;0.76;;;;;DOPC;MDCG;27;1;"MARTINI bead: P2_C5";;;;;;;0.54;;-2.99;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM406753;MM406753;COC(C=O)C(O)CCF;ZOQZJYZKGVHDNO-UHFFFAOYSA-N;150.15;-0.08;;;;;DOPC;MDCG;27;0;"MARTINI bead: P3_C5";;;;;;;-0.33;;-2.01;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM406754;MM406754;C#CC(CC=NNC)NC;RBOCSJPXQVGMIV-UHFFFAOYSA-N;139.2;-0.2;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_P2";;;;;;;-0.24;;-4.57;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM406755;MM406755;CNCC(O)C(C#N)OC;FYSIYYDQAZJUQO-UHFFFAOYSA-N;144.17;-0.89;;;;;DOPC;MDCG;27;1;"MARTINI bead: P2_P1";;;;;;;-1.06;;-5.15;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM406756;MM406756;C#CC(CC=NOC)NC;WBFSVUTZEPSPHQ-UHFFFAOYSA-N;140.19;0.23;;;;;DOPC;MDCG;27;1;"MARTINI bead: P2_Na";;;;;;;-0.24;;-4.65;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM406757;MM406757;COCC(O)C(C=O)OC;LJDRYRQRIXTDBT-UHFFFAOYSA-N;148.16;-0.79;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_P1";;;;;;;-1.06;;-3.82;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM406758;MM406758;C#CC(CC=CCC)OC;OIXUVAKSQFIMPX-UHFFFAOYSA-N;138.21;1.99;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1_Na";;;;;;;2.91;;0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM406759;MM406759;COCC(O)C(C#N)OC;YWNTVGYAWOWJIW-UHFFFAOYSA-N;145.16;-0.47;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_P1";;;;;;;-1.06;;-3.82;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM406760;MM406760;C#CC(CC=CCO)OC;AHYOBMPYRKUNPC-UHFFFAOYSA-N;140.18;0.57;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_Nda";;;;;;;0.87;;-1.99;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM406761;MM406761;COCC(F)C(C=O)OC;UWJRHZMBJIPQMS-UHFFFAOYSA-N;150.15;0.18;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_P1";;;;;;;0.04;;-2.54;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM406762;MM406762;C#CC(CC=CCF)OC;BJBAKXOYPNERAP-UHFFFAOYSA-N;142.17;1.55;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_C4";;;;;;;2.2;;0.34;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM406763;MM406763;C=CC(CC)C(C)NCC;MXCHHIJEACYTNR-UHFFFAOYSA-N;141.26;2.2;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_C1";;;;;;;2.91;;-1.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM406764;MM406764;C#CC(CC=NOC)OC;LUNCQWJKOAMGSF-UHFFFAOYSA-N;141.17;0.66;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_C5";;;;;;;0.54;;-1.09;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM406765;MM406765;CCNC(C)C(C=O)CC;NMEGLWPVTQCKIS-UHFFFAOYSA-N;143.23;1.21;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_C5";;;;;;;1.64;;-2.61;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM406766;MM406766;C#CC(CC)NC=NCC;DRIBKOVATINTNR-UHFFFAOYSA-N;138.21;1.04;;;;;DOPC;MDCG;27;1;"MARTINI bead: C5_Nd";;;;;;;1.64;;-1.6;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM406767;MM406767;CCOC(C)C(C=O)CF;XNVBUUOMKMCFLM-UHFFFAOYSA-N;148.18;1.2;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_P1";;;;;;;0.81;;-0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM406768;MM406768;C#CC(CN)NC=NCC;OJUJDAZEYOQPQG-UHFFFAOYSA-N;139.2;-0.42;;;;;DOPC;MDCG;27;1;"MARTINI bead: C5_P3";;;;;;;-0.33;;-3.43;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM406769;MM406769;CCOC(C)C(C#N)NC;MWQIRQCFPGPDGB-UHFFFAOYSA-N;142.2;0.52;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_P2";;;;;;;0.54;;-1.09;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM406770;MM406770;C#CC(CO)NC=NCC;YFTYEZHUKFWVPZ-UHFFFAOYSA-N;140.19;-0.38;;;;;DOPC;MDCG;27;1;"MARTINI bead: C5_P3";;;;;;;-0.33;;-3.13;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM406771;MM406771;C=CC(CN)N(C)CCC;WPBDDUYMRZGNPU-UHFFFAOYSA-N;142.25;0.84;;;;;DOPC;MDCG;27;1;"MARTINI bead: C5_P2";;;;;;;0.54;;-3.16;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM406772;MM406772;N#CC(=N)NN=CC=CF;UCXRWNGLIHLWBP-UHFFFAOYSA-N;140.12;0.55;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4_P2";;;;;;;1.09;;-0.38;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM406773;MM406773;C=CC(CN)N(C)CCF;KNOVSBJDGPHZJA-UHFFFAOYSA-N;146.21;0.4;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nda_P2";;;;;;;-0.24;;-5.25;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM406774;MM406774;C#CC(CC)N=CNOC;UUQAORDUZLOVOY-UHFFFAOYSA-N;140.19;0.58;;;;;DOPC;MDCG;27;0;"MARTINI bead: C3_P3";;;;;;;0.6;;-0.8;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM406775;MM406775;C=CCC(C)(CO)C(=C)C;PLTFJBOYRGFWBZ-UHFFFAOYSA-N;140.23;2.14;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_C4";;;;;;;2.97;;0.45;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM406776;MM406776;C#CC(CC)NN=CCC;ZSXHKHANZXEBKO-UHFFFAOYSA-N;138.21;1.38;;;;;DOPC;MDCG;27;0;"MARTINI bead: N0_Nd";;;;;;;1.17;;-1.04;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM406777;MM406777;C=C1CC(=CC)CC1(C)O;JEEPPQBVOFJCFN-UHFFFAOYSA-N;138.21;2.03;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC1_SNda";;;;;;;2.91;;0.57;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM406778;MM406778;C#CC(CN)NN=CCN;KDRUFEAZKZPIQE-UHFFFAOYSA-N;140.19;-1.52;;;;;DOPC;MDCG;27;1;"MARTINI bead: P3_Nd";;;;;;;-1.1;;-5.31;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM406779;MM406779;C=CC(CF)N(C)CCN;CKQMEPDZNOONQQ-UHFFFAOYSA-N;146.21;0.4;;;;;DOPC;MDCG;27;1;"MARTINI bead: P3_C5";;;;;;;-0.33;;-3.95;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM406780;MM406780;CC#CC=NNC(=N)C#N;JCRNCJVPUOWESV-UHFFFAOYSA-N;134.14;0.09;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4_P2";;;;;;;1.09;;-0.38;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM406781;MM406781;CCN(C=N)C(C)CCO;PYESGZZFGOLEPF-UHFFFAOYSA-N;144.22;0.69;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_P1";;;;;;;0.04;;-6.66;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM406782;MM406782;C=CCC(CC)C(O)C=C;KHMQJWBNNBHUIO-UHFFFAOYSA-N;140.23;2.14;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1_Nda";;;;;;;2.91;;0.57;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM406783;MM406783;C=C(C#N)OC(C)=NNC;QFRSKIWKEPSBCI-UHFFFAOYSA-N;139.16;0.59;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nd_Na";;;;;;;0.87;;-1.88;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM406784;MM406784;C=NN=C(C=CNC)NN;WFJJHUDMOVTZIN-UHFFFAOYSA-N;141.18;-0.8;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nd_P2";;;;;;;-0.24;;-3.16;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM406785;MM406785;C=NN(CC)C(C)CNC;FELYPGHWXFSJDR-UHFFFAOYSA-N;143.23;0.53;;;;;DOPC;MDCG;27;1;"MARTINI bead: N0_P1";;;;;;;0.34;;-3.35;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM406786;MM406786;C#CC(CC)OC=CCC;IPTHPDPECGGKNK-UHFFFAOYSA-N;138.21;2.34;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_C3";;;;;;;3.34;;0.48;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM406787;MM406787;COCC(C)N(C=O)OC;NKBKAPDTDRAARZ-UHFFFAOYSA-N;147.17;0.04;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_P2";;;;;;;-0.24;;-3.24;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM406788;MM406788;C#CC(CC)OC=CCO;CJNSUBCMWCDGKF-UHFFFAOYSA-N;140.18;0.92;;;;;DOPC;MDCG;27;0;"MARTINI bead: C3_P2";;;;;;;1.46;;-0.15;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM406789;MM406789;CCN(C=N)N(C)CCF;UBAIPGVILUSCNW-UHFFFAOYSA-N;147.2;0.73;;;;;DOPC;MDCG;27;1;"MARTINI bead: P3_C5";;;;;;;-0.33;;-4.47;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM406790;MM406790;C#CC(CC)OC=CCF;GPRZKFUAMOESKB-UHFFFAOYSA-N;142.17;1.9;;;;;DOPC;MDCG;27;0;"MARTINI bead: C3_Na";;;;;;;2.57;;0.45;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM406791;MM406791;C=CC(CC)C(C)CC=O;HHSQWWBLBJFKBG-UHFFFAOYSA-N;140.23;2.42;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1_C5";;;;;;;3.68;;0.46;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM406792;MM406792;C#CC(CO)OC=CCO;RMLYFJULTPFJIM-UHFFFAOYSA-N;142.15;-0.5;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_Nda";;;;;;;-0.24;;-3.31;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM406793;MM406793;C=CCC(C)C(C=O)CC;VCTFBIYPYPBLGA-UHFFFAOYSA-N;140.23;2.42;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_C1";;;;;;;3.68;;0.46;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM406794;MM406794;C#CC(CF)OC=CCC;OLOOPKWZFGGSCP-UHFFFAOYSA-N;142.17;1.9;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_Na";;;;;;;1.64;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM406795;MM406795;CCC(C=O)C(C)CC=O;AFDFWNPRHDDBFN-UHFFFAOYSA-N;142.2;1.44;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_C5";;;;;;;2.41;;0.64;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM406796;MM406796;C#CC(CF)OC=CCO;MXTHBMDHIZMUQL-UHFFFAOYSA-N;144.15;0.48;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda_P1";;;;;;;0.04;;-2.73;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM406797;MM406797;CCC(C#N)C(C)CC#N;NRLDULHISXYCNH-UHFFFAOYSA-N;136.2;2.09;;;;;DOPC;MDCG;27;0;"MARTINI bead: N0_N0";;;;;;;1.47;;-0.05;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM406798;MM406798;C#CC(CC)OC=COC;ZLINGZXCPSBUPX-UHFFFAOYSA-N;140.18;1.53;;;;;DOPC;MDCG;27;0;"MARTINI bead: C3_P1";;;;;;;1.74;;0.29;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM406799;MM406799;C=CCC(C)C(C=C)CN;ZXIDOTGEOMKGNG-UHFFFAOYSA-N;139.24;1.96;;;;;DOPC;MDCG;27;1;"MARTINI bead: C1_Nd";;;;;;;2.91;;-0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM406800;MM406800;C#CC(CC)OC=NOC;FFRYLONVEMXOMX-UHFFFAOYSA-N;141.17;1;;;;;DOPC;MDCG;27;0;"MARTINI bead: C3_P2";;;;;;;1.46;;-0.15;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM406801;MM406801;C=CCC(C)C(C=O)CF;ASDZOPBRRBDAMW-UHFFFAOYSA-N;144.19;1.98;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1_P1";;;;;;;2.08;;0.48;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM406802;MM406802;C#CC(OC)OC=CCC;SPRMIRUKWNXOPV-UHFFFAOYSA-N;140.18;1.53;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_Na";;;;;;;1.64;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM406803;MM406803;C=CCC(N)C(C=C)CF;HSDGALUJICOJDQ-UHFFFAOYSA-N;143.21;1.66;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nda_N0";;;;;;;1.17;;-4.05;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM406804;MM406804;C#CC(OC)OC=CCN;NIGDMJGUQWMZDC-UHFFFAOYSA-N;141.17;0.08;;;;;DOPC;MDCG;27;1;"MARTINI bead: Na_P2";;;;;;;-0.24;;-5.41;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM406805;MM406805;C=CCC(O)C(C=O)CC;CJHIXYGGERVQGJ-UHFFFAOYSA-N;142.2;1.15;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_C4";;;;;;;1.37;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM406806;MM406806;C#CC(OC)OC=CCF;FMHNBMKQOZHOBP-UHFFFAOYSA-N;144.15;1.09;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_Na";;;;;;;0.87;;-2.22;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM406807;MM406807;CCC(C#N)C(O)CC#N;SBWGRGDYYNSFDV-UHFFFAOYSA-N;138.17;0.81;;;;;DOPC;MDCG;27;0;"MARTINI bead: N0_P2";;;;;;;0.06;;-2.21;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM406808;MM406808;C#CC(C#CC=O)ON=C;DHPHUIWXSUOVCW-UHFFFAOYSA-N;135.12;-0.18;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_C5";;;;;;;0.81;;-0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM406809;MM406809;O=CCC(O)C(C=O)CO;NQDIYZPZJRFHHL-UHFFFAOYSA-N;146.14;-1.26;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_P2";;;;;;;-1.34;;-4.31;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM406810;MM406810;C#CC(CC)ON=CCC;PRFFHOGSHWYAPO-UHFFFAOYSA-N;139.2;1.81;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_C3";;;;;;;2.57;;0.45;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM406811;MM406811;N#CC(CO)C(O)CC=O;GGYSWUXGMLOPPP-UHFFFAOYSA-N;143.14;-0.93;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_P2";;;;;;;-1.34;;-4.31;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM406812;MM406812;C#CC(CC)ON=CCN;FCSBCOJQDFHMJR-UHFFFAOYSA-N;140.19;0.36;;;;;DOPC;MDCG;27;1;"MARTINI bead: C3_P3";;;;;;;0.6;;-2.17;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM406813;MM406813;N#CCC(O)C(C=O)CO;KFOXMHOFLULLIT-UHFFFAOYSA-N;143.14;-0.93;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_P2";;;;;;;-1.34;;-4.31;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM406814;MM406814;C=NNC=C(CC)C(C)=O;MRNYHSZHPFPDBS-UHFFFAOYSA-N;140.19;1.07;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_P1";;;;;;;0.81;;-0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM406815;MM406815;N#CCC(O)C(C#N)CO;KBHWXCBQPHFHFQ-UHFFFAOYSA-N;140.14;-0.61;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_P2";;;;;;;-1.34;;-4.31;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM406816;MM406816;C#CC(CN)ON=CCF;MOWVYSOLGQIWAD-UHFFFAOYSA-N;144.15;-0.08;;;;;DOPC;MDCG;27;1;"MARTINI bead: P2_Na";;;;;;;-0.24;;-4.34;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM406817;MM406817;N#CCC(O)C(C#N)CF;BRIOFRUPXJCQIS-UHFFFAOYSA-N;142.13;0.37;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_Na";;;;;;;-0.24;;-3.24;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM406818;MM406818;C#CC(CO)ON=CCN;OVUMQKUITRUFFB-UHFFFAOYSA-N;142.16;-1.06;;;;;DOPC;MDCG;27;1;"MARTINI bead: P3_Nda";;;;;;;-1.1;;-5.37;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM406819;MM406819;C=CCC(F)C(C=C)CN;HGIVGUVDJOSOGL-UHFFFAOYSA-N;143.21;1.66;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_C5";;;;;;;1.64;;-2.59;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM406820;MM406820;CC(=O)C(C)N1C(C)C1C;MLYGILJKEFKJPX-UHFFFAOYSA-N;141.21;1.06;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNd_Na";;;;;;;0.87;;-1.88;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM406821;MM406821;C=CCC(F)C(C#N)CO;VOZSILLEIQCMQI-UHFFFAOYSA-N;143.16;1.03;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_C5";;;;;;;0.54;;-1.09;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM406822;MM406822;CCNc1c[nH]c(CC)c1;MKAFEBMKGPPOPZ-UHFFFAOYSA-N;138.21;2.01;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC5_SC5";;;;;;;2.41;;0.64;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM406823;MM406823;N#CCC(F)C(C=O)CO;GEUYGMMOGDASAD-UHFFFAOYSA-N;145.13;0.05;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_Na";;;;;;;-0.24;;-3.24;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM406824;MM406824;C#CC(CC)ON=COC;BUUUCDXOMTWZLR-UHFFFAOYSA-N;141.17;1;;;;;DOPC;MDCG;27;0;"MARTINI bead: C3_P2";;;;;;;1.46;;-0.15;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM406825;MM406825;N#CCC(F)C(C#N)CO;JAMPGXKNFGVCEO-UHFFFAOYSA-N;142.13;0.37;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_Na";;;;;;;-0.24;;-3.24;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM406826;MM406826;CCCc1cc(NC)c[nH]1;YZBZHIHKDRDXIW-UHFFFAOYSA-N;138.21;2.01;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC4_SNd";;;;;;;2.2;;0.32;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM406827;MM406827;C=CCC(C)C(C=O)NC;DKBPFSCHKRMVTA-UHFFFAOYSA-N;141.21;0.99;;;;;DOPC;MDCG;27;1;"MARTINI bead: P2_C4";;;;;;;1.09;;-1.79;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM406828;MM406828;CCCc1nc(NC)co1;IIIORJBMKYQFQV-UHFFFAOYSA-N;140.19;1.67;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC5_SNda";;;;;;;1.64;;0.05;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM406829;MM406829;C=CCC(F)C(C#N)NC;ARRFVPMOGQWADE-UHFFFAOYSA-N;142.18;1.01;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_C5";;;;;;;0.54;;-1.09;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM406830;MM406830;C#CC(OC)ON=CCN;HNOMCHVYTCFOPK-UHFFFAOYSA-N;142.16;-0.45;;;;;DOPC;MDCG;27;1;"MARTINI bead: Na_P3";;;;;;;-1.1;;-5.6;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM406831;MM406831;COC(C=O)C(C)CC#N;BJTSFUBZAHPIHG-UHFFFAOYSA-N;141.17;0.75;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_N0";;;;;;;0.34;;-1.53;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM406832;MM406832;C#CC1CC1CC(O)CC;YQBOHMASQAULPP-UHFFFAOYSA-N;138.21;1.42;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda_SC5";;;;;;;1.64;;0.05;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM406833;MM406833;C=CC(CC)C(C)NC=N;ZPFBMHIHDVSBNV-UHFFFAOYSA-N;140.23;1.78;;;;;DOPC;MDCG;27;1;"MARTINI bead: C1_P2";;;;;;;1.8;;-2.95;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM406834;MM406834;C#CC(CC)CC=CC=C;FKGABAHGIXJNRY-UHFFFAOYSA-N;134.22;2.78;;;;;DOPC;MDCG;27;0;"MARTINI bead: C2_C4";;;;;;;4.16;;0.44;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM406835;MM406835;C=CC(CN)C(C)NC=N;XNCXRCOPKCEMJD-UHFFFAOYSA-N;141.22;0.33;;;;;DOPC;MDCG;27;1;"MARTINI bead: P3_C5";;;;;;;-0.33;;-5.84;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM406836;MM406836;C#CC(CC)CC=CC=O;JPPMFLQVPJARSX-UHFFFAOYSA-N;136.19;1.79;;;;;DOPC;MDCG;27;0;"MARTINI bead: C2_Na";;;;;;;2.83;;0.35;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM406837;MM406837;C=CC(CO)C(C)NC=O;BLVXAYYYRXQMTC-UHFFFAOYSA-N;143.19;-0.08;;;;;DOPC;MDCG;27;0;"MARTINI bead: P3_C5";;;;;;;-0.33;;-2.01;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM406838;MM406838;C#CC(CC)CC=CC#N;CIGOBFZUYXFYSS-UHFFFAOYSA-N;133.19;2.12;;;;;DOPC;MDCG;27;0;"MARTINI bead: C3_N0";;;;;;;2.87;;0.37;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM406839;MM406839;CC(NC=O)C(C#N)CO;WROSONDHEHPLMD-UHFFFAOYSA-N;142.16;-0.75;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_P2";;;;;;;-1.06;;-3.82;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM406840;MM406840;C#CC(CN)CC=CC=C;GNHLZWHDLMRCRD-UHFFFAOYSA-N;135.21;1.33;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_C4";;;;;;;2.2;;-1.89;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM406841;MM406841;C=C(C)OC(CC)=NNC;ODWOERHPABPOJB-UHFFFAOYSA-N;142.2;1.48;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_C4";;;;;;;1.37;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM406842;MM406842;C#CC(CC)CC=NN=C;UTOQZIXUXNXJOZ-UHFFFAOYSA-N;136.2;1.72;;;;;DOPC;MDCG;27;0;"MARTINI bead: C3_C5";;;;;;;3.34;;0.48;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM406843;MM406843;CCC1(O)CC(C(C)C)C1;YQECDOOEOYJETH-UHFFFAOYSA-N;142.24;2.19;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNda_SC2";;;;;;;2.83;;0.57;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM406844;MM406844;C#CC(CF)CC=NN=C;OIBXDYDQWGVUGD-UHFFFAOYSA-N;140.16;1.28;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_N0";;;;;;;1.94;;0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM406845;MM406845;CCCNN=COC(C)=O;SUUQBLRJKBIRHJ-UHFFFAOYSA-N;144.17;0.49;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nd_Na";;;;;;;0.87;;-1.88;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM406846;MM406846;C#CC(CC=CC=C)NC;YJBLTIFGPGSECM-UHFFFAOYSA-N;135.21;1.34;;;;;DOPC;MDCG;27;1;"MARTINI bead: P2_C1";;;;;;;1.8;;-0.82;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM406847;MM406847;N=C(C=NN)NOC=NN;UBGDJSOYXBXERO-UHFFFAOYSA-N;144.14;-1.67;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_P2";;;;;;;-1.34;;-4.31;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM406848;MM406848;C#CC(CC=CC#N)NC;DWEBXBZTQYODOV-UHFFFAOYSA-N;134.18;0.68;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1_N0";;;;;;;0.34;;-3.45;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM406849;MM406849;C=COC(C)C(C=C)CC;CKGDUYONZJJLJS-UHFFFAOYSA-N;140.23;2.75;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1_C5";;;;;;;3.68;;0.46;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM406850;MM406850;C#CC(CC=NN=C)NC;LZFGPVYEMYAZLB-UHFFFAOYSA-N;137.19;0.28;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1_N0";;;;;;;0.34;;-2.95;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM406851;MM406851;C=CC(CC)C(C)OC=O;JAEVDSQIEPLEHA-UHFFFAOYSA-N;142.2;1.76;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1_Na";;;;;;;2.91;;0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM406852;MM406852;C#CC(CC=CC=C)OC;BNPUBGRGMTVNHI-UHFFFAOYSA-N;136.19;1.77;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_C1";;;;;;;2.91;;0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM406853;MM406853;C=CC(CO)C(C)OC=O;LVAQWYHVCJYWNN-UHFFFAOYSA-N;144.17;0.34;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_Nda";;;;;;;0.87;;-1.99;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM406854;MM406854;C#CC(CC=CC=O)OC;FFDNVGKYFNLJHE-UHFFFAOYSA-N;138.17;0.78;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_Na";;;;;;;0.87;;-2.22;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM406855;MM406855;C=COC(C)C(C#N)CO;GCVTYKNQIDLACC-UHFFFAOYSA-N;141.17;0.67;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_P2";;;;;;;0.54;;-1.09;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM406856;MM406856;CC(OC=O)C(C#N)CO;GEFWAAJHPULTDG-UHFFFAOYSA-N;143.14;-0.32;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_P2";;;;;;;-0.24;;-3.24;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM406857;MM406857;C#CC(CC=CC#N)OC;ZXIZTYJVVAFZSZ-UHFFFAOYSA-N;135.17;1.1;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_N0";;;;;;;1.17;;-1.18;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM406858;MM406858;C=CC(CF)C(C)OC=O;AQPGPOKGNSNBOA-UHFFFAOYSA-N;146.16;1.32;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_C5";;;;;;;1.64;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM406859;MM406859;C#CC(CC)NC=CC=O;NWCRBPKCQWAOBO-UHFFFAOYSA-N;137.18;0.7;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nd_Na";;;;;;;0.87;;-1.88;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM406860;MM406860;C=COC(C)C(C=O)CF;ZCZTUKUFLMFUTJ-UHFFFAOYSA-N;146.16;1.32;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_P1";;;;;;;0.81;;-0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM406861;MM406861;C#CC(CC)NC=CC#N;YBWUZMZJMSVUPS-UHFFFAOYSA-N;134.18;1.03;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nd_N0";;;;;;;1.17;;-1.04;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM406862;MM406862;CC(OC=O)C(C=O)CF;NFMLANRFUUXPLZ-UHFFFAOYSA-N;148.13;0.33;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_P1";;;;;;;0.04;;-2.54;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM406863;MM406863;C#CC(CO)NC=CC=O;ICJZQYHSPGWVRJ-UHFFFAOYSA-N;139.15;-0.72;;;;;DOPC;MDCG;27;0;"MARTINI bead: P3_Na";;;;;;;-1.1;;-4.2;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM406864;MM406864;C=NOC(C)C(C#N)CC;VLNCIFTWNBLKFG-UHFFFAOYSA-N;140.19;1.56;;;;;DOPC;MDCG;27;0;"MARTINI bead: N0_Na";;;;;;;1.17;;-1.18;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM406865;MM406865;C#CC(CF)NC=CC#N;FTDKLEPKSMZZBG-UHFFFAOYSA-N;138.15;0.58;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_N0";;;;;;;0.34;;-1.53;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM406866;MM406866;C=CC(CN)C(C)ON=C;JKWMHBNPMFGCIK-UHFFFAOYSA-N;142.2;0.77;;;;;DOPC;MDCG;27;1;"MARTINI bead: Na_Nd";;;;;;;0.87;;-4.57;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM406867;MM406867;C#CC(CO)N=CNC=N;AQZLSYHUWHTGAZ-UHFFFAOYSA-N;139.16;-0.79;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nda_P4";;;;;;;-1.19;;-6.64;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM406868;MM406868;CC=CC(C)OC=NNC;OAUYWDGTQCUAQZ-UHFFFAOYSA-N;142.2;1.13;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_C5";;;;;;;0.54;;-1.09;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM406869;MM406869;C#CC(CO)N=CNC=O;ZTIPYHSUXOLUFE-UHFFFAOYSA-N;140.14;-1.25;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda_P4";;;;;;;-1.19;;-4.91;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM406870;MM406870;C=CC(CF)C(C)ON=C;BQJXURMJMNLETD-UHFFFAOYSA-N;145.18;1.78;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_C5";;;;;;;1.64;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM406871;MM406871;N#CC12CC1C(=O)C(=N)N2;PWEBUQGLYYSWCI-UHFFFAOYSA-N;135.13;-0.58;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP1_SP2";;;;;;;-1.06;;-3.82;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM406872;MM406872;C=COC(C)C(C#N)NC;LXOQUBNJKLWRTL-UHFFFAOYSA-N;140.19;0.65;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_C5";;;;;;;0.54;;-1.09;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM406873;MM406873;CCC1(CO)CC2CC2C1;BGZMYLWEZQNDGT-UHFFFAOYSA-N;140.23;1.81;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC4_SC4";;;;;;;3.53;;0.53;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM406874;MM406874;C=COC(C)C(C=O)OC;SUYTWLNLAZJMJZ-UHFFFAOYSA-N;144.17;0.75;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_C5";;;;;;;0.81;;-0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM406875;MM406875;C#CC(CC)NN=CC#N;JAVDWYCPVPILJT-UHFFFAOYSA-N;135.17;0.5;;;;;DOPC;MDCG;27;0;"MARTINI bead: C3_P2";;;;;;;1.46;;-0.15;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM406876;MM406876;C=COC(C)C(C#N)OC;IRMLUMWZEVBIAH-UHFFFAOYSA-N;141.17;1.07;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_C5";;;;;;;0.81;;-0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM406877;MM406877;CC#Cc1c[nH]c(C)c1N;MDBZSDKKOMHUFG-UHFFFAOYSA-N;134.18;1.28;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNd_SNd";;;;;;;0.87;;-2.11;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM406878;MM406878;CNN=COC(C)C=NN;GPIRQDWYDKKQHB-UHFFFAOYSA-N;144.18;-0.5;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda_P1";;;;;;;0.04;;-2.73;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM406879;MM406879;C#CC(CC)OC=CC=C;YWZSSRVSGMLYON-UHFFFAOYSA-N;136.19;2.11;;;;;DOPC;MDCG;27;0;"MARTINI bead: C3_Na";;;;;;;2.57;;0.45;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM406880;MM406880;CC#CC(C)OC=NNC;PNWVYMHJAYMJJM-UHFFFAOYSA-N;140.19;0.58;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda_N0";;;;;;;1.17;;-1.13;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM406881;MM406881;C#CC(CC)OC=CC=O;SFCVOFDSFFMTCN-UHFFFAOYSA-N;138.17;1.13;;;;;DOPC;MDCG;27;0;"MARTINI bead: C3_P2";;;;;;;1.46;;-0.15;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM406882;MM406882;CN(CC#N)C(C#N)CF;SCXHECQDRUHUQS-UHFFFAOYSA-N;141.15;0.3;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_Na";;;;;;;-0.24;;-3.24;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM406883;MM406883;C#CC(CC)OC=CC#N;DBBDFSXHRVBDBM-UHFFFAOYSA-N;135.17;1.45;;;;;DOPC;MDCG;27;0;"MARTINI bead: C3_P2";;;;;;;1.46;;-0.15;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM406884;MM406884;CCC(C=O)N(C)N=CN;GHDUZJDCBJHRPU-UHFFFAOYSA-N;143.19;-0.2;;;;;DOPC;MDCG;27;1;"MARTINI bead: C5_P3";;;;;;;-0.33;;-3.33;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM406885;MM406885;C#CC(CN)OC=CC=C;SADXYAGEAUGRFL-UHFFFAOYSA-N;137.18;0.66;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_Na";;;;;;;0.87;;-3.55;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM406886;MM406886;CCC(C=O)N(C)NC=O;KMELLNIDYPULSC-UHFFFAOYSA-N;144.17;-0.44;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_P4";;;;;;;-0.41;;-2.78;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM406887;MM406887;C#CC(CO)OC=CC=C;SAYVRMSGCUYIPT-UHFFFAOYSA-N;138.17;0.7;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda_Na";;;;;;;0.87;;-1.99;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM406888;MM406888;C=CC(CN)N(C)NC=N;SFGUWMWYSHKOEY-UHFFFAOYSA-N;142.21;-0.46;;;;;DOPC;MDCG;27;1;"MARTINI bead: P4_Nd";;;;;;;-1.19;;-7.56;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM406889;MM406889;C#CC(CF)OC=CC=O;QOCAQJNJHVQHQE-UHFFFAOYSA-N;142.13;0.69;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_Na";;;;;;;0.87;;-2.22;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM406890;MM406890;C=CC(CO)N(C)NC=O;OFJAPKSWBWOVDG-UHFFFAOYSA-N;144.17;-0.87;;;;;DOPC;MDCG;27;0;"MARTINI bead: P4_Nda";;;;;;;-1.19;;-4.91;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM406891;MM406891;C#CC(CC)OC=NN=C;WEPDWUYYNTVYFL-UHFFFAOYSA-N;138.17;1.06;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_N0";;;;;;;1.17;;-1.18;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM406892;MM406892;CN(NC=N)C(C#N)CO;RAZCPKVMQAZWLQ-UHFFFAOYSA-N;142.16;-1.09;;;;;DOPC;MDCG;27;1;"MARTINI bead: P4_P2";;;;;;;-2.29;;-8.56;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM406893;MM406893;C#CC(OC)OC=CC=C;RBNQAZYBYWVGGE-UHFFFAOYSA-N;138.17;1.31;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_Na";;;;;;;0.87;;-2.22;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM406894;MM406894;CN(NC=O)C(C=O)CO;LRSXCKSXGXAEGU-UHFFFAOYSA-N;146.15;-1.86;;;;;DOPC;MDCG;27;0;"MARTINI bead: P4_P2";;;;;;;-2.29;;-5.95;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM406895;MM406895;C#CC(CC)ON=CC=C;XINAJYASIOPZLZ-UHFFFAOYSA-N;137.18;1.59;;;;;DOPC;MDCG;27;0;"MARTINI bead: C3_Na";;;;;;;2.57;;0.45;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM406896;MM406896;C=CC(CF)N(C)NC=O;MFEOFQKNTWUWTH-UHFFFAOYSA-N;146.17;0.1;;;;;DOPC;MDCG;27;0;"MARTINI bead: P4_C5";;;;;;;-0.41;;-2.78;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM406897;MM406897;C#CC(CC)ON=CC#N;RMPBKAJPUPAZST-UHFFFAOYSA-N;136.15;0.92;;;;;DOPC;MDCG;27;0;"MARTINI bead: C3_P2";;;;;;;1.46;;-0.15;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM406898;MM406898;CN(NC=N)C(C#N)CF;AOKLXXJEEPGBGE-UHFFFAOYSA-N;144.15;-0.11;;;;;DOPC;MDCG;27;1;"MARTINI bead: P4_Na";;;;;;;-1.19;;-7.37;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM406899;MM406899;C#CC(CO)ON=CC#N;NKCMLNWPBIJYMT-UHFFFAOYSA-N;138.13;-0.49;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda_P2";;;;;;;-0.24;;-3.31;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM406900;MM406900;C=CCC(C)N(CC)N=C;BQWMWGPDVRRSCF-UHFFFAOYSA-N;140.23;1.89;;;;;DOPC;MDCG;27;0;"MARTINI bead: N0_C4";;;;;;;2.5;;0.44;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM406901;MM406901;CC=C(C#N)C1NC1C=O;CDUYUNRYDFKBBD-UHFFFAOYSA-N;136.15;;;;;;DOPC;MDCG;27;0;"MARTINI bead: N0_SP2";;;;;;;0.06;;-2.21;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM406902;MM406902;CC=CCCC1(O)CC1C;HGOGGCUODKPVFB-UHFFFAOYSA-N;140.23;2.11;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1_SNda";;;;;;;2.91;;0.57;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM406903;MM406903;C#CC=CCC(C#C)CC;MLGCBAUISCPIBT-UHFFFAOYSA-N;132.21;2.23;;;;;DOPC;MDCG;27;0;"MARTINI bead: C3_C4";;;;;;;3.9;;0.47;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM406904;MM406904;C=NN(CC)C(C)CC#N;XBPWGBWUQKRRJU-UHFFFAOYSA-N;139.2;1.23;;;;;DOPC;MDCG;27;0;"MARTINI bead: N0_P1";;;;;;;0.34;;-1.53;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM406905;MM406905;C#CC=CCC(C#C)CN;ZOQPRUZNFMKUEP-UHFFFAOYSA-N;133.19;0.77;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_N0";;;;;;;1.17;;-3.5;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM406906;MM406906;CC1CC1(O)CCC=CF;FORSBEVDLPSFTF-UHFFFAOYSA-N;144.19;2.02;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNda_C4";;;;;;;2.2;;0.49;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM406907;MM406907;C=CCN1CC1C(=O)C=O;GJQUFMZLJZUZNX-UHFFFAOYSA-N;139.15;-0.38;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNd_Na";;;;;;;0.87;;-1.88;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM406908;MM406908;C#CCC(C)C(C=O)CC;IUKFAVTZZGUAPE-UHFFFAOYSA-N;138.21;1.87;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_C3";;;;;;;3.34;;0.48;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM406909;MM406909;C#CC=CCC(C#C)CF;AFURYVLVHZIQLS-UHFFFAOYSA-N;136.17;1.78;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_C4";;;;;;;2.2;;0.34;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM406910;MM406910;C#CCC(C)C(C=C)CN;KWQIIXBTNDSOSI-UHFFFAOYSA-N;137.23;1.41;;;;;DOPC;MDCG;27;1;"MARTINI bead: C3_Nd";;;;;;;2.57;;-1.48;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM406911;MM406911;C#CC=CCC(C#C)NC;APOFMWAWVBUXJU-UHFFFAOYSA-N;133.19;0.79;;;;;DOPC;MDCG;27;1;"MARTINI bead: P2_C4";;;;;;;1.09;;-2.25;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM406912;MM406912;C#CCC(C)C(C=O)CO;OZOMVXDTYHWTGD-UHFFFAOYSA-N;140.18;0.45;;;;;DOPC;MDCG;27;0;"MARTINI bead: N0_P1";;;;;;;0.34;;-1.53;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM406913;MM406913;C#CC=CCC(C#C)OC;RJIIGCCLYHJQSE-UHFFFAOYSA-N;134.18;1.21;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_C4";;;;;;;2.2;;0.34;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM406914;MM406914;C#CCC(C)C(C=C)CF;UZPKNBRHPVLXRT-UHFFFAOYSA-N;140.2;2.42;;;;;DOPC;MDCG;27;0;"MARTINI bead: C3_C5";;;;;;;3.34;;0.48;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM406915;MM406915;C#CC=COC(C#C)CC;JPPNFCVSXYKSDE-UHFFFAOYSA-N;134.18;1.56;;;;;DOPC;MDCG;27;0;"MARTINI bead: C3_Na";;;;;;;2.57;;0.45;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM406916;MM406916;C#CCC(O)C(C#N)CC;TZDUNJCREGPCSX-UHFFFAOYSA-N;137.18;0.92;;;;;DOPC;MDCG;27;0;"MARTINI bead: N0_Nda";;;;;;;1.17;;-1.13;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM406917;MM406917;C#CC=COC(C#C)CN;MHCBKTIGRYHIKS-UHFFFAOYSA-N;135.17;0.11;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_Na";;;;;;;0.87;;-3.55;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM406918;MM406918;C#CCC(O)C(C#N)CO;ZKCQCQYUCAVRAC-UHFFFAOYSA-N;139.15;-0.5;;;;;DOPC;MDCG;27;0;"MARTINI bead: P3_N0";;;;;;;-0.8;;-2.99;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM406919;MM406919;C#CC=COC(C#C)CO;KCCQTZUQXDIOLQ-UHFFFAOYSA-N;136.15;0.14;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda_Na";;;;;;;0.87;;-1.99;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM406920;MM406920;C#CCC(F)C(C=C)CN;DWBWDBCKNBMMDP-UHFFFAOYSA-N;141.19;1.11;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_Na";;;;;;;0.87;;-4.57;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM406921;MM406921;C#CC=COC(C#C)CF;AQORRIOYWIQJMN-UHFFFAOYSA-N;138.14;1.12;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_Na";;;;;;;0.87;;-2.22;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM406922;MM406922;C#CCC(F)C(C#N)CO;ZJKHYIGXBSNMOS-UHFFFAOYSA-N;141.15;0.48;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_N0";;;;;;;0.06;;-2.21;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM406923;MM406923;C#CC=COC(C#C)OC;LHCJLTMMGSEAEO-UHFFFAOYSA-N;136.15;0.76;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_Na";;;;;;;0.87;;-2.22;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM406924;MM406924;C#CCC(C)C(C=C)NC;RUKWIGVOPZPTJR-UHFFFAOYSA-N;137.23;1.42;;;;;DOPC;MDCG;27;1;"MARTINI bead: C5_N0";;;;;;;1.94;;-1.4;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM406925;MM406925;C#CC=NOC(C#C)CC;OAMOTOUJPXYICL-UHFFFAOYSA-N;135.17;1.03;;;;;DOPC;MDCG;27;0;"MARTINI bead: C3_P1";;;;;;;1.74;;0.29;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM406926;MM406926;C#CCC(O)C(C=O)OC;ROCVNFXEUGCSIY-UHFFFAOYSA-N;142.15;-0.42;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda_P2";;;;;;;-0.24;;-3.31;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM406927;MM406927;C=CNC=NOC=NNC;JETXQWAIDWYWBS-UHFFFAOYSA-N;142.16;-0.16;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_Nd";;;;;;;-0.24;;-3.16;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM406928;MM406928;C#CCC(C)N(CC)N=C;MIOWWJOZXHQJKY-UHFFFAOYSA-N;138.21;1.34;;;;;DOPC;MDCG;27;0;"MARTINI bead: N0_N0";;;;;;;1.47;;-0.05;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM406929;MM406929;C=CC(C=C)CC=CCC;CCJAYEHHLHGZFL-UHFFFAOYSA-N;136.24;3.33;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1_C2";;;;;;;4.87;;0.53;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM406930;MM406930;C#CC(CC)C(C)CCC;LROLNDPHMSGGEP-UHFFFAOYSA-N;138.25;3.08;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1_C3";;;;;;;4.61;;0.31;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM406931;MM406931;C=CC(C=C)CC=CCN;QQPMGWVGUJBZOT-UHFFFAOYSA-N;137.23;1.88;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1_C1";;;;;;;2.08;;-0.65;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM406932;MM406932;C#CCc1nc(N)n(N)n1;GKXHQHORQYUXPU-UHFFFAOYSA-N;137.15;-1.25;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNa_SP2";;;;;;;-0.24;;-3.24;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM406933;MM406933;C=CC(C=C)CC=CCO;QAPLVWZOIDDJBG-UHFFFAOYSA-N;138.21;1.91;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda_C2";;;;;;;2.83;;0.57;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM406934;MM406934;C#CC(CF)C(C)CCF;WWYVKNTXIGLWGO-UHFFFAOYSA-N;146.18;2.2;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4_Na";;;;;;;2.2;;0.34;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM406935;MM406935;C=CC(C=O)CC=CCC;FJPRECMTFOJQOR-UHFFFAOYSA-N;138.21;2.34;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1_Na";;;;;;;2.91;;0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM406936;MM406936;C#CC(CC)C(N)CCC;TXPIFZCZCIWZRB-UHFFFAOYSA-N;139.24;1.77;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_C3";;;;;;;2.57;;-1.46;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM406937;MM406937;C=CC(C#N)CC=CCC;UJMPQCRSVLUCLZ-UHFFFAOYSA-N;135.21;2.67;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1_N0";;;;;;;3.21;;0.46;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM406938;MM406938;C#CC(CC)C(N)CCO;JKRXHNXATYDFPS-UHFFFAOYSA-N;141.21;0.36;;;;;DOPC;MDCG;27;1;"MARTINI bead: N0_P1";;;;;;;0.34;;-3.91;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM406939;MM406939;C=CC(C#N)CC=CCO;BOFZVDHWSAJHNQ-UHFFFAOYSA-N;137.18;1.25;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda_C5";;;;;;;1.64;;0.05;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM406940;MM406940;C#CC(CC)C(N)CCF;ALLNBTAEJSEEBT-UHFFFAOYSA-N;143.21;1.33;;;;;DOPC;MDCG;27;1;"MARTINI bead: C3_P1";;;;;;;1.74;;-1.99;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM406941;MM406941;C=CC(C=O)CC=CCF;KNOPDXGIXNXJLU-UHFFFAOYSA-N;142.17;1.9;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_Na";;;;;;;0.87;;-2.22;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM406942;MM406942;C#CC(CF)C(O)CCN;ILVYTKHYESPRNN-UHFFFAOYSA-N;145.18;-0.09;;;;;DOPC;MDCG;27;1;"MARTINI bead: P2_Na";;;;;;;-0.24;;-5.65;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM406943;MM406943;CCC=CCC(C=O)C=O;KQNJFYOSINFAMQ-UHFFFAOYSA-N;140.18;1.36;;;;;DOPC;MDCG;27;0;"MARTINI bead: C3_Na";;;;;;;2.57;;0.45;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM406944;MM406944;C#CC(CF)C(F)CCF;BYVZYRFJWDYFRT-UHFFFAOYSA-N;150.14;1.9;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_Na";;;;;;;0.87;;-2.22;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM406945;MM406945;O=CC(C=O)CC=CCF;GBRYQCSQALFUDB-UHFFFAOYSA-N;144.15;0.92;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_Na";;;;;;;0.87;;-2.22;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM406946;MM406946;C#CC(CC)C(C)CNC;ATPWBLZHVMNOFC-UHFFFAOYSA-N;139.24;1.5;;;;;DOPC;MDCG;27;1;"MARTINI bead: C1_P1";;;;;;;2.08;;-1.58;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM406947;MM406947;N#CC(C=O)CC=CCF;NBQMZTAHIDPJPS-UHFFFAOYSA-N;141.15;1.24;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_Na";;;;;;;0.87;;-2.22;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM406948;MM406948;C#CC(CF)C(C)CNC;WGRSQCRZZCUNRA-UHFFFAOYSA-N;143.21;1.06;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_Na";;;;;;;0.87;;-5.1;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM406949;MM406949;N#CC(C#N)CC=CCF;DWBSJOSDJVPMKN-UHFFFAOYSA-N;138.15;1.57;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4_P2";;;;;;;1.09;;-0.38;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM406950;MM406950;C#CC(CF)C(O)CNC;ILTMXYRSGOHEKH-UHFFFAOYSA-N;145.18;-0.21;;;;;DOPC;MDCG;27;1;"MARTINI bead: P2_Na";;;;;;;-0.24;;-5.71;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM406951;MM406951;C=CC(C=C)CC=COC;LTDDBFCEITVAPI-UHFFFAOYSA-N;138.21;2.52;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_C1";;;;;;;2.91;;0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM406952;MM406952;C#CC(CC)C(F)CNC;STVQXMYTSAVZJD-UHFFFAOYSA-N;143.21;1.2;;;;;DOPC;MDCG;27;1;"MARTINI bead: C4_P1";;;;;;;1.37;;-1.49;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM406953;MM406953;C=CC(C=O)CC=COC;CQABVQVEEIGQRJ-UHFFFAOYSA-N;140.18;1.54;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_Na";;;;;;;1.64;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM406954;MM406954;C#CC(CF)C(F)CNC;FYKNWNKFTLCLJE-UHFFFAOYSA-N;147.17;0.76;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1_Na";;;;;;;0.04;;-4.08;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM406955;MM406955;C=CC(C#N)CC=COC;MPTKPBSWSXXKSX-UHFFFAOYSA-N;137.18;1.86;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_C5";;;;;;;1.64;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM406956;MM406956;C#CC(CC)C(C)COC;ZZQIYFHOOPDHSY-UHFFFAOYSA-N;140.23;1.93;;;;;DOPC;MDCG;27;0;"MARTINI bead: C3_Na";;;;;;;2.57;;0.45;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM406957;MM406957;COC=CCC(C#N)C#N;ATWNAEJGQUACKH-UHFFFAOYSA-N;136.15;1.2;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_P2";;;;;;;0.54;;-1.09;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM406958;MM406958;C#CC(CO)C(O)COC;YUMBMXHHTXIICK-UHFFFAOYSA-N;144.17;-0.76;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_P2";;;;;;;-1.06;;-3.82;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM406959;MM406959;C=CC(C=C)CC=NNC;QQPLWOJGONGDSL-UHFFFAOYSA-N;138.21;1.57;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_C1";;;;;;;1.8;;0.4;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM406960;MM406960;C#CC(NC)C(C)CCO;GQFKNEIGMZOUIL-UHFFFAOYSA-N;141.21;0.23;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_P1";;;;;;;0.04;;-4.46;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM406961;MM406961;COC1=NNCC1;VRACPQJJTYBODL-UHFFFAOYSA-N;100.12;-0.06;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP1_SP1";;;;;;;-0.79;;-3.13;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM406962;MM406962;C#CC(NC)C(C)CCF;AWLZXAYEAUGDES-UHFFFAOYSA-N;143.21;1.2;;;;;DOPC;MDCG;27;1;"MARTINI bead: P2_C4";;;;;;;1.09;;-2.46;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM406963;MM406963;C=CC(C#N)CC=NNC;ZAMABWLLCGENBM-UHFFFAOYSA-N;137.19;0.91;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_C5";;;;;;;0.54;;-1.09;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM406964;MM406964;C#CC(NC)C(N)CCF;QVQVEMBEZYHHRY-UHFFFAOYSA-N;144.19;-0.11;;;;;DOPC;MDCG;27;1;"MARTINI bead: P2_P1";;;;;;;-1.06;;-5.82;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM406965;MM406965;C=CC(C=C)CC=NOC;VYUWRJXIRUTSHS-UHFFFAOYSA-N;139.2;2;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_C1";;;;;;;2.08;;0.48;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM406966;MM406966;C#CC(OC)C(C)CCN;ZNHFBZYBOCEABF-UHFFFAOYSA-N;141.21;0.62;;;;;DOPC;MDCG;27;1;"MARTINI bead: Na_Nd";;;;;;;0.87;;-4.66;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM406967;MM406967;Nc1nn(N)c(=O)o1;BYHRXBSEDXRRRC-UHFFFAOYSA-N;116.08;-1.87;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP2_SP3";;;;;;;-2.2;;-5.19;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM406968;MM406968;C#CC(OC)C(C)CCO;BIPYXSVXUYEEAH-UHFFFAOYSA-N;142.2;0.65;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_P1";;;;;;;0.81;;-0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM406969;MM406969;C=CC(C#N)CC=NOC;BVOGRAOILRAKNK-UHFFFAOYSA-N;138.17;1.33;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_C5";;;;;;;0.81;;-0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM406970;MM406970;C#CC(OC)C(O)CCN;IYTYPQCXJFUVDY-UHFFFAOYSA-N;143.19;-0.66;;;;;DOPC;MDCG;27;1;"MARTINI bead: P2_P1";;;;;;;-1.06;;-6.22;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM406971;MM406971;C=CC1(C)CCC1O;ZIFQDJINHHUFPH-UHFFFAOYSA-N;112.17;1.33;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC3_SNda";;;;;;;2.57;;0.44;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM406972;MM406972;C#CC(OC)C(O)CCO;IZJDVZOIKZJDBC-UHFFFAOYSA-N;144.17;-0.62;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_P1";;;;;;;-1.06;;-3.82;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM406973;MM406973;C=CC(C=C)NN=CCC;HUXWTLROTLZQJQ-UHFFFAOYSA-N;138.21;1.71;;;;;DOPC;MDCG;27;0;"MARTINI bead: N0_Nd";;;;;;;1.17;;-1.04;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM406974;MM406974;C#CC(OC)C(O)CNC;LLSSXJSBGRENGD-UHFFFAOYSA-N;143.19;-0.79;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1_P2";;;;;;;-1.06;;-6.07;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM406975;MM406975;CN1CC1C(=O)C#N;VTXQQDCXZYCIKF-UHFFFAOYSA-N;110.12;-0.61;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP1_P1";;;;;;;-0.79;;-3.13;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM406976;MM406976;C#CC(OC)C(O)COC;GTBQQMGZLHPARJ-UHFFFAOYSA-N;144.17;-0.36;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_Na";;;;;;;-0.24;;-3.24;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM406977;MM406977;C#Cc1c[nH]cc1N;XQJPSICSARDTRH-UHFFFAOYSA-N;106.13;0.58;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP1_SN0";;;;;;;0.34;;-1.53;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM406978;MM406978;C#CC(CO)C(C)NCC;GBWDHRPDTUYCIY-UHFFFAOYSA-N;141.21;0.23;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1_Nda";;;;;;;0.04;;-5.1;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM406979;MM406979;CC(C)CCC(C)(C)O;JPUIYNHIEXIFMV-UHFFFAOYSA-N;130.23;2.19;;;;;DOPC;MDCG;27;0;"MARTINI bead: C3_Nda";;;;;;;2.57;;0.44;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM406980;MM406980;C#CC(OC)C(C)NCC;UTWOSPHOGBYXCD-UHFFFAOYSA-N;141.21;0.63;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1_C5";;;;;;;0.81;;-2.48;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM406981;MM406981;C=CC1(C)CC(C)(O)C1;JJRGXLQBUIYSBW-UHFFFAOYSA-N;126.2;1.72;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNda_SC3";;;;;;;2.57;;0.44;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM406982;MM406982;C#CC(CC)N(C)CCC;SUIOIRKHEIFINB-UHFFFAOYSA-N;139.24;1.74;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_C3";;;;;;;2.57;;-0.79;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM406983;MM406983;C#CC(C)CC(O)CC;CCDYVDDUYHPKKT-UHFFFAOYSA-N;126.2;1.42;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda_C5";;;;;;;1.64;;0.05;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM406984;MM406984;C#CC(CO)N(C)CCC;AJPBMOCFOXLEJV-UHFFFAOYSA-N;141.21;0.32;;;;;DOPC;MDCG;27;1;"MARTINI bead: C3_P3";;;;;;;0.6;;-2.02;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM406985;MM406985;CCC=NNC(C=O)C=O;RVPNAUHVLKUWAT-UHFFFAOYSA-N;142.16;-0.26;;;;;DOPC;MDCG;27;0;"MARTINI bead: C3_P3";;;;;;;0.6;;-0.8;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM406986;MM406986;Cn1nc(N)c(N)nc1=O;KDLDLVYILCTFDN-UHFFFAOYSA-N;141.13;-1.66;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP2_SP2";;;;;;;-1.34;;-4.31;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM406987;MM406987;C=C(CC)CC(O)CC;ALIGIUHULNJMCU-UHFFFAOYSA-N;128.22;2.11;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda_C1";;;;;;;2.91;;0.57;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM406988;MM406988;C#CC(CF)C(C)CC=C;PZVWSHYXNOTKEC-UHFFFAOYSA-N;140.2;2.42;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1_Na";;;;;;;2.91;;0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM406989;MM406989;CC=C(C)CC(O)CC;ASBZITVBHMTNPE-UHFFFAOYSA-N;128.22;2.11;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda_C1";;;;;;;2.91;;0.57;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM406990;MM406990;C#CC(CF)C(C)CC=O;SZWJNFOBRPJJIK-UHFFFAOYSA-N;142.17;1.43;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_Na";;;;;;;1.64;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM406991;MM406991;CC#CC1=CCC(=NO)N1;KQELGYZWVHMWBY-UHFFFAOYSA-N;136.15;0.67;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNd_SP1";;;;;;;0.04;;-2.63;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM406992;MM406992;CC(C)(O)CCC1CC1;MUCMTXJXKCBXGC-UHFFFAOYSA-N;128.22;1.95;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda_SC5";;;;;;;1.64;;0.05;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM406993;MM406993;C#CC(CF)C(N)CC=C;GIINUTVTRDRQAR-UHFFFAOYSA-N;141.19;1.11;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_Na";;;;;;;0.87;;-4.51;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM406994;MM406994;CC#Cc1c[nH]c(=NC)[nH]1;JMEMANFQQCHXEY-UHFFFAOYSA-N;135.17;0.24;;;;;DOPC;MDCG;27;1;"MARTINI bead: SP1_SNd";;;;;;;0.04;;-5.48;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM406995;MM406995;C=CC(C=C)OC=CCC;QCVSEVQJNAPKOU-UHFFFAOYSA-N;138.21;2.67;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_C2";;;;;;;3.6;;0.34;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM406996;MM406996;C#CC(CF)C(O)CC=O;DBTZBKHZLLWZSA-UHFFFAOYSA-N;144.15;0.16;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_Na";;;;;;;-0.24;;-3.24;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM406997;MM406997;CC#Cc1c[nH]c(=NN)[nH]1;RGWXKTMBKWZHAB-UHFFFAOYSA-N;136.16;-0.51;;;;;DOPC;MDCG;27;1;"MARTINI bead: SNd_SP2";;;;;;;-0.24;;-4.49;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM406998;MM406998;C=CC(C=C)OC=CCO;HOVXERAJCYJTQS-UHFFFAOYSA-N;140.18;1.25;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_C2";;;;;;;1.72;;0.27;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM406999;MM406999;C#CC(NC)C(C)CC=C;QXRNDSZNVZRHIE-UHFFFAOYSA-N;137.23;1.42;;;;;DOPC;MDCG;27;1;"MARTINI bead: P2_C1";;;;;;;1.8;;-1.05;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM407000;MM407000;C=C(CC)OC=NN;JMLQNXWMYDGZJL-UHFFFAOYSA-N;114.15;0.83;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_Nda";;;;;;;1.64;;0.05;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM407001;MM407001;C=CC(C=O)OC=CCC;ABWLLQATPFLXCI-UHFFFAOYSA-N;140.18;1.68;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_Na";;;;;;;1.64;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM407002;MM407002;C#CC(NC)C(N)CC=C;DLFQNCQVQGVVQE-UHFFFAOYSA-N;138.21;0.11;;;;;DOPC;MDCG;27;1;"MARTINI bead: P2_Nd";;;;;;;-0.24;;-5.19;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM407003;MM407003;CC#CC1=NC(=CF)CN1;FQSDLDXYWSDUKM-UHFFFAOYSA-N;138.15;0.82;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNd_SP1";;;;;;;0.04;;-2.63;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM407004;MM407004;C=CC(C#N)OC=CCC;ZIUNADMJSQMOCM-UHFFFAOYSA-N;137.18;2;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_N0";;;;;;;1.94;;0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM407005;MM407005;C#CC(NC)C(O)CC=C;LNYNSBUJYCSPRX-UHFFFAOYSA-N;139.2;0.14;;;;;DOPC;MDCG;27;1;"MARTINI bead: P2_Nda";;;;;;;-0.24;;-4.73;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM407006;MM407006;CC=C(C)OC=NN;ZSLCLUZMWGYRDY-UHFFFAOYSA-N;114.15;0.83;;;;;DOPC;MDCG;27;0;"MARTINI bead: C2_P3";;;;;;;0.86;;-0.3;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM407007;MM407007;CCC=COC(C=O)C=O;ZGZDEZQEJMPKII-UHFFFAOYSA-N;142.15;0.69;;;;;DOPC;MDCG;27;0;"MARTINI bead: C3_P2";;;;;;;1.46;;-0.15;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM407008;MM407008;C#CC(CC)C(C)NN=C;OIOLGQWBYHTDIA-UHFFFAOYSA-N;138.21;1.24;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_Nd";;;;;;;1.64;;0.02;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM407009;MM407009;C#CCC(=NN)OC;XHKFCOHFTJFTEL-UHFFFAOYSA-N;112.13;-0.07;;;;;DOPC;MDCG;27;0;"MARTINI bead: N0_P1";;;;;;;0.34;;-1.53;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM407010;MM407010;CCC=COC(C#N)C#N;XKLLKIVASOVRGU-UHFFFAOYSA-N;136.15;1.34;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_P2";;;;;;;0.54;;-1.09;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM407011;MM407011;C=CC(C)C(C)(C=C)CO;FRGMQQHTQCPUQV-UHFFFAOYSA-N;140.23;1.99;;;;;DOPC;MDCG;27;0;"MARTINI bead: C3_Nda";;;;;;;2.57;;0.44;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM407012;MM407012;CC#CC1=NC(=NO)CN1;PPJNXSZQUGUUEF-UHFFFAOYSA-N;137.14;-0.2;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNd_SP3";;;;;;;-1.1;;-3.93;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM407013;MM407013;O=CC(C=O)OC=CCO;AOVCRNKBHYTPOF-UHFFFAOYSA-N;144.13;-0.72;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_Na";;;;;;;-0.24;;-3.24;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM407014;MM407014;C#CC(NC)C(C)NC=O;GUOTXLGUIUGXKR-UHFFFAOYSA-N;140.19;-0.66;;;;;DOPC;MDCG;27;1;"MARTINI bead: P2_P1";;;;;;;-1.06;;-4.99;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM407015;MM407015;O=C(O)C#CC#CC1CN1;VTKQIYZPBLOPMK-UHFFFAOYSA-N;135.12;-0.95;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda_SP1";;;;;;;0.04;;-7.86;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM407016;MM407016;N#CC(C=O)OC=CCO;PICCDDWKUDWHAY-UHFFFAOYSA-N;141.13;-0.4;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_Na";;;;;;;-0.24;;-3.24;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM407017;MM407017;C#CC(OC)C(C)NC=N;SBDSZUUHPSWXNZ-UHFFFAOYSA-N;140.19;0.22;;;;;DOPC;MDCG;27;1;"MARTINI bead: Na_P2";;;;;;;-0.24;;-6.63;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM407018;MM407018;O=CC#CCC#CC(=O)O;BLJSZIUIVNOUAI-UHFFFAOYSA-N;136.11;-0.33;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_C5";;;;;;;0.81;;-5.63;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM407019;MM407019;N#CC(C#N)OC=CCO;RXUNZMNOVDUHOQ-UHFFFAOYSA-N;138.13;-0.08;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda_P2";;;;;;;-0.24;;-3.31;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM407020;MM407020;C#CC(OC)C(C)NC=O;HKOAVHFFMGWUPG-UHFFFAOYSA-N;141.17;-0.23;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_P3";;;;;;;-0.33;;-2.01;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM407021;MM407021;CC#CC1=CCC(=CC)O1;OZGXVCGGYDVIMX-UHFFFAOYSA-N;134.18;2.22;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC5_SC5";;;;;;;2.41;;0.64;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM407022;MM407022;N#CC(C#N)OC=CCF;PWFPDWIKRUADNM-UHFFFAOYSA-N;140.12;0.9;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_P1";;;;;;;0.81;;-0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM407023;MM407023;C#CC(CC)C(C)OC=C;KUWXSJBMYVCNKG-UHFFFAOYSA-N;138.21;2.19;;;;;DOPC;MDCG;27;0;"MARTINI bead: C3_C5";;;;;;;3.34;;0.48;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM407024;MM407024;CC#CC1=CCC(=CF)O1;AIAOXOGHQKMQCE-UHFFFAOYSA-N;138.14;2.12;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC5_SC5";;;;;;;2.41;;0.64;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM407025;MM407025;CC=CCC(O)CCC;KCDSGKHMSVPTOK-UHFFFAOYSA-N;128.22;2.11;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda_C2";;;;;;;2.83;;0.57;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM407026;MM407026;C#CC(CC)C(C)OC=O;VMFSVILUCHXCSA-UHFFFAOYSA-N;140.18;1.21;;;;;DOPC;MDCG;27;0;"MARTINI bead: C3_Na";;;;;;;2.57;;0.45;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM407027;MM407027;C=COC(C=C)=NN;LDHQEIJPNJGFRQ-UHFFFAOYSA-N;112.13;0.6;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda_N0";;;;;;;1.17;;-1.13;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM407028;MM407028;N=c1cncnn1C(=O)O;FCNLXYQDEGYCAY-UHFFFAOYSA-N;140.1;-0.72;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP4_SP2";;;;;;;-2.29;;-9.6;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM407029;MM407029;C#CC(CF)C(C)OC=O;DKZZSHUIHBTOSS-UHFFFAOYSA-N;144.15;0.77;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_Na";;;;;;;0.87;;-2.22;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM407030;MM407030;CC#CC1=CCC(=NO)O1;RYURIFHCZXHDGF-UHFFFAOYSA-N;137.14;1.1;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC5_SNda";;;;;;;1.64;;0.05;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM407031;MM407031;C=CC(C=C)OC=NOC;CSJTXMCVAGJXJJ-UHFFFAOYSA-N;141.17;1.33;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_C2";;;;;;;1.72;;0.27;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM407032;MM407032;C#CC(CC)C(C)ON=C;GLKMNRBXVPCXIN-UHFFFAOYSA-N;139.2;1.67;;;;;DOPC;MDCG;27;0;"MARTINI bead: C3_Na";;;;;;;2.57;;0.45;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM407033;MM407033;NN=C1CCC(=O)O1;DOBBIZBWMKCOQH-UHFFFAOYSA-N;114.1;-0.4;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNd_SNa";;;;;;;0.87;;-1.88;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM407034;MM407034;CON=COC(C=O)C=O;AJRSGTIUJKZGOC-UHFFFAOYSA-N;145.11;-0.64;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_Na";;;;;;;-0.24;;-3.24;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM407035;MM407035;C#CC(CN)C(C)ON=C;WRRSJDPRGXXNOL-UHFFFAOYSA-N;140.19;0.22;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1_N0";;;;;;;0.34;;-3.92;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM407036;MM407036;N#CC1(CC(=O)O)CO1;XFZSTJHHBJQRMI-UHFFFAOYSA-N;127.1;-0.25;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_SP1";;;;;;;-0.79;;-8.34;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM407037;MM407037;C=CC(C=C)ON=CCN;CRWSYNPYIYIKDC-UHFFFAOYSA-N;140.19;0.69;;;;;DOPC;MDCG;27;1;"MARTINI bead: P3_C2";;;;;;;0.86;;-1.59;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM407038;MM407038;C#CC(OC)C(C)OC=C;OXOGIQSFNKWORX-UHFFFAOYSA-N;140.18;1.18;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_C5";;;;;;;1.64;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM407039;MM407039;C#CC(C)C(C)C(C)O;UUNPSIIHGXANJJ-UHFFFAOYSA-N;126.2;1.27;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda_C5";;;;;;;1.64;;0.05;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM407040;MM407040;CC(=NOC=O)C(=O)O;UOLCIGQLJBLKGQ-UHFFFAOYSA-N;131.09;-0.38;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_P1";;;;;;;0.04;;-7.75;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM407041;MM407041;C#CC(OC)C(C)OC=O;QZSFYIBZOFYIEC-UHFFFAOYSA-N;142.15;0.2;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_Na";;;;;;;0.87;;-2.22;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM407042;MM407042;C=CC(C#N)ON=CCC;MGDQATGIGNFYIU-UHFFFAOYSA-N;138.17;1.48;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_N0";;;;;;;1.17;;-1.18;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM407043;MM407043;O=C(O)C(=O)C#CCCO;MAELNEIMNHCMEI-UHFFFAOYSA-N;142.11;-0.97;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_P1";;;;;;;-0.79;;-8.34;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM407044;MM407044;C#CC(OC)C(C)ON=C;JJKCSJPLQQGRQD-UHFFFAOYSA-N;141.17;0.66;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_Na";;;;;;;0.87;;-2.22;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM407045;MM407045;C=C(CC)C(C)C(C)O;DWYGPZKIGKTYGC-UHFFFAOYSA-N;128.22;1.97;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1_P1";;;;;;;2.08;;0.48;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM407046;MM407046;CC#Cc1noc(=NN)o1;PPRWVLBJXMXCSG-UHFFFAOYSA-N;139.11;-0.59;;;;;DOPC;MDCG;27;0;"MARTINI bead: N0_SP2";;;;;;;0.06;;-2.21;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM407047;MM407047;C=CC(C#N)(C#N)NN=C;OCBOCHVMRRDRFQ-UHFFFAOYSA-N;134.14;0.16;;;;;DOPC;MDCG;27;0;"MARTINI bead: N0_P1";;;;;;;0.34;;-1.53;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM407048;MM407048;N#CC(C#N)ON=CCO;IPFAIFUYXJAVMH-UHFFFAOYSA-N;139.11;-0.6;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_P1";;;;;;;-0.79;;-3.13;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM407049;MM407049;CCCC1=CC=C(CC)C1;RXWHBZMLSYOKPL-UHFFFAOYSA-N;136.24;3.45;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC1_SC3";;;;;;;4.61;;0.31;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM407050;MM407050;C#CC1CCC(O)(C=C)C1;IKAFMAPDFJUGCM-UHFFFAOYSA-N;136.19;1.34;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC5_SC4";;;;;;;2.97;;0.45;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM407051;MM407051;O=CC(C=O)ON=CCF;PPAFVEJQXLGIGR-UHFFFAOYSA-N;147.11;-0.28;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_Na";;;;;;;0.04;;-2.54;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM407052;MM407052;CCC1=CC=C(CCN)C1;JBPBDRXVUDIKMO-UHFFFAOYSA-N;137.23;2;;;;;DOPC;MDCG;27;1;"MARTINI bead: SC3_SNd";;;;;;;2.57;;-1.47;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM407053;MM407053;C#CC(CN)N(C)NC=O;VUFKDIKGWMNRMN-UHFFFAOYSA-N;141.17;-1.46;;;;;DOPC;MDCG;27;1;"MARTINI bead: P4_Nd";;;;;;;-1.19;;-6.05;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM407054;MM407054;CC=C(C)C(C)C(C)O;BOLWCBQFUFDPKX-UHFFFAOYSA-N;128.22;1.97;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1_P1";;;;;;;2.08;;0.48;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM407055;MM407055;CCCC1=CC=C(CN)C1;DSQFEYITUQPPFK-UHFFFAOYSA-N;137.23;2;;;;;DOPC;MDCG;27;1;"MARTINI bead: SC1_SNd";;;;;;;2.91;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM407056;MM407056;C#CC(CO)N(C)NC=O;RYBWINWMIXLEEN-UHFFFAOYSA-N;142.16;-1.43;;;;;DOPC;MDCG;27;0;"MARTINI bead: P4_Nda";;;;;;;-1.19;;-4.91;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM407057;MM407057;C=CC(C=C)ON=COC;CKVWSMVHFYUDOU-UHFFFAOYSA-N;141.17;1.33;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_C2";;;;;;;1.72;;0.27;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM407058;MM407058;NCCC1=CC=C(CN)C1;YQXSZGDXSRNQQK-UHFFFAOYSA-N;138.21;0.55;;;;;DOPC;MDCG;27;1;"MARTINI bead: SNd_SNd";;;;;;;0.87;;-4.99;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM407059;MM407059;C#CC(CF)N(C)NC=O;CCXPZRZUIMUGGM-UHFFFAOYSA-N;144.15;-0.45;;;;;DOPC;MDCG;27;0;"MARTINI bead: P4_Na";;;;;;;-1.19;;-4.76;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM407060;MM407060;C=CN(C=N)CC=CCC;AAQYIIXCPBJHPU-UHFFFAOYSA-N;138.21;2.01;;;;;DOPC;MDCG;27;1;"MARTINI bead: C3_P1";;;;;;;1.74;;-2.76;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM407061;MM407061;CCCC1=CC=C(CO)C1;RQWJSOFGGVCWIW-UHFFFAOYSA-N;138.21;2.04;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC1_SNda";;;;;;;2.91;;0.57;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM407062;MM407062;C#CCC(C)C(C#C)CN;CZJCJGHZZJYOGP-UHFFFAOYSA-N;135.21;0.85;;;;;DOPC;MDCG;27;1;"MARTINI bead: N0_N0";;;;;;;1.47;;-2.4;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM407063;MM407063;C=CN(C=O)CC=CCC;OOCJHRDFEVJJLS-UHFFFAOYSA-N;139.2;1.55;;;;;DOPC;MDCG;27;0;"MARTINI bead: C3_P2";;;;;;;1.46;;-0.15;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM407064;MM407064;NCCC1=CC=C(CO)C1;VGEIZRDJFKTIGS-UHFFFAOYSA-N;139.2;0.58;;;;;DOPC;MDCG;27;1;"MARTINI bead: SNd_SNda";;;;;;;0.87;;-4.67;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM407065;MM407065;C#CCC(O)C(C#C)CF;NNJDADDMOICOJO-UHFFFAOYSA-N;140.16;0.59;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda_Na";;;;;;;0.87;;-1.99;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM407066;MM407066;C=CN(C=O)CC=CCO;BPXLQZQPCXRRRI-UHFFFAOYSA-N;141.17;0.14;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_Nda";;;;;;;0.04;;-2.73;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM407067;MM407067;CCCC1=CC=C(CF)C1;OWVBRSYPVNMYJV-UHFFFAOYSA-N;140.2;3.01;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC1_SC5";;;;;;;3.68;;0.46;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM407068;MM407068;C#CCC(F)C(C#C)CO;HDRBACNDQXFMOE-UHFFFAOYSA-N;140.16;0.59;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda_Na";;;;;;;0.87;;-1.99;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM407069;MM407069;N=CN(C=N)CC=CCO;KKPGECKSFFNQJQ-UHFFFAOYSA-N;141.17;0.05;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1_P2";;;;;;;-1.06;;-5.4;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM407070;MM407070;NCCC1=CC=C(CF)C1;CIOYFXZJYUGNBC-UHFFFAOYSA-N;141.19;1.56;;;;;DOPC;MDCG;27;1;"MARTINI bead: SNd_SC5";;;;;;;1.64;;-2.65;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM407071;MM407071;C#CCC(C)C(C#C)NC;FKWUGZUYSGJWAG-UHFFFAOYSA-N;135.21;0.87;;;;;DOPC;MDCG;27;1;"MARTINI bead: P2_C3";;;;;;;1.46;;-2.13;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM407072;MM407072;NCC=CCN(C=O)C=O;VLHFNNSSSJCMOF-UHFFFAOYSA-N;142.16;-0.88;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1_P2";;;;;;;-1.06;;-5.76;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM407073;MM407073;CCC1=CC=C(CNC)C1;HXZZGSLPPWERMR-UHFFFAOYSA-N;137.23;1.87;;;;;DOPC;MDCG;27;1;"MARTINI bead: SC3_SNd";;;;;;;2.57;;-1.22;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM407074;MM407074;C=CC(C=C)C(C)CCC;SAKJAFVSZUKDJB-UHFFFAOYSA-N;138.25;3.41;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1_C2";;;;;;;4.87;;0.53;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM407075;MM407075;O=CN(C=O)CC=CCO;FAMPPFFQEVZWNN-UHFFFAOYSA-N;143.14;-0.85;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_P2";;;;;;;-1.06;;-3.82;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM407076;MM407076;CNCC1=CC=C(CN)C1;BVSBONCBJNECST-UHFFFAOYSA-N;138.21;0.42;;;;;DOPC;MDCG;27;1;"MARTINI bead: SNd_SNd";;;;;;;0.87;;-4.8;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM407077;MM407077;C=CC1(O)CCC(=CC)C1;VMIUWDVNLSCHLQ-UHFFFAOYSA-N;138.21;2.03;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC1_SC5";;;;;;;3.68;;0.46;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM407078;MM407078;C=CN(C=N)CC=NNC;WFONVSIOHKOCKW-UHFFFAOYSA-N;140.19;0.24;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_P2";;;;;;;-0.24;;-6.17;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM407079;MM407079;CNCC1=CC=C(CF)C1;ZNAIUHNEBQRCHF-UHFFFAOYSA-N;141.19;1.43;;;;;DOPC;MDCG;27;1;"MARTINI bead: SNd_SC5";;;;;;;1.64;;-2.4;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM407080;MM407080;C=CC(C=O)C(C)CCF;WAHOHGIKMICMQC-UHFFFAOYSA-N;144.19;1.98;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4_Na";;;;;;;2.2;;0.34;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM407081;MM407081;C=CN(C=O)CC=NNC;ICLRUWSJSSAZCT-UHFFFAOYSA-N;141.17;-0.21;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nd_P2";;;;;;;-0.24;;-3.16;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM407082;MM407082;CCCC1=CC=C(OC)C1;WGYGPIOCBAEYGB-UHFFFAOYSA-N;138.21;2.65;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC1_SC5";;;;;;;3.68;;0.46;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM407083;MM407083;C=CC(C=C)C(N)CCF;RXNLDHNQJGBPAV-UHFFFAOYSA-N;143.21;1.66;;;;;DOPC;MDCG;27;1;"MARTINI bead: C5_Nd";;;;;;;1.64;;-2.81;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM407084;MM407084;CNN=CCN(C=N)C=O;NSPUOVICSQSOBW-UHFFFAOYSA-N;142.16;-0.74;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nd_P4";;;;;;;-1.19;;-4.91;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM407085;MM407085;COC1=CC=C(CCN)C1;VDEOCERSAQEAFE-UHFFFAOYSA-N;139.2;1.2;;;;;DOPC;MDCG;27;1;"MARTINI bead: SC5_SNd";;;;;;;1.64;;-2.65;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM407086;MM407086;C=CC(C#N)C(O)CCO;VPGFTFDBHCGAKA-UHFFFAOYSA-N;141.17;0.06;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_Nda";;;;;;;0.04;;-2.73;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM407087;MM407087;CON=CCN(C=N)C=N;WTGLYZYEHMCHRP-UHFFFAOYSA-N;142.16;0.13;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1_P2";;;;;;;-1.06;;-4.93;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM407088;MM407088;CCOC1=CC=C(CC)C1;JAFFWNUNGSJJFB-UHFFFAOYSA-N;138.21;2.65;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC4_SC3";;;;;;;3.9;;0.47;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM407089;MM407089;CCCC(O)C(C#N)C=O;KBJMQNFZVOCPDY-UHFFFAOYSA-N;141.17;0.49;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda_Na";;;;;;;0.87;;-1.99;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM407090;MM407090;CON=CCN(C=N)C=O;CUGGASQAJPOJGO-UHFFFAOYSA-N;143.15;-0.32;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_P4";;;;;;;-1.19;;-4.76;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM407091;MM407091;CCOC1=CC=C(CN)C1;TYGCRJLWLLFRRT-UHFFFAOYSA-N;139.2;1.2;;;;;DOPC;MDCG;27;1;"MARTINI bead: SC4_SNd";;;;;;;2.2;;-1.65;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM407092;MM407092;N#CC(C=O)C(O)CCO;MPKQDSOBNMMZDT-UHFFFAOYSA-N;143.14;-0.93;;;;;DOPC;MDCG;27;0;"MARTINI bead: P3_Na";;;;;;;-1.1;;-4.2;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM407093;MM407093;CON=CCN(C=O)C=O;OMWGGDJSXHVWBX-UHFFFAOYSA-N;144.13;-0.77;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_P2";;;;;;;-1.06;;-3.82;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM407094;MM407094;CCOC1=CC=C(CO)C1;VSTKGFRQMQYAQR-UHFFFAOYSA-N;140.18;1.23;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC4_SNda";;;;;;;2.2;;0.49;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM407095;MM407095;N#CC(C#N)C(O)CCO;VOBFJHYSAFFTTM-UHFFFAOYSA-N;140.14;-0.61;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_P2";;;;;;;-1.06;;-3.82;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM407096;MM407096;C=NN(C=N)CC=CCC;ARSBCZGVBIWOOL-UHFFFAOYSA-N;139.2;1.48;;;;;DOPC;MDCG;27;0;"MARTINI bead: C3_P2";;;;;;;1.46;;-0.15;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM407097;MM407097;CCOC1=CC=C(CF)C1;XZOIOEXWKJVGTA-UHFFFAOYSA-N;142.17;2.21;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC4_SC5";;;;;;;2.97;;0.45;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM407098;MM407098;C=CC(C=C)C(F)CCN;ZARCVFMFBFIOJO-UHFFFAOYSA-N;143.21;1.66;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1_C3";;;;;;;1.74;;-2.03;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM407099;MM407099;C=NN(C=O)CC=NNC;IRJCWRHXDFVDSA-UHFFFAOYSA-N;142.16;-0.73;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nd_P2";;;;;;;-0.24;;-3.16;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM407100;MM407100;CCOC1=CC=C(OC)C1;GIQXNWKTYUPSNR-UHFFFAOYSA-N;140.18;1.84;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC4_SC5";;;;;;;2.97;;0.45;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM407101;MM407101;C=CC(C=C)C(C)CNC;WNNZYTXGMSIZAQ-UHFFFAOYSA-N;139.24;1.83;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1_C1";;;;;;;2.08;;-1.67;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM407102;MM407102;C=NN(C=N)CC=NOC;IYIZLIHTPCAHDG-UHFFFAOYSA-N;142.16;0.14;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_P2";;;;;;;-1.06;;-3.82;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM407103;MM407103;CCCC1=NN=C(CC)C1;SVLHEERYXBBOJT-UHFFFAOYSA-N;138.21;2.4;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC5_SN0";;;;;;;1.94;;0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM407104;MM407104;CNCC(C)C(C=O)C=O;ZKCTWWCFFADLSE-UHFFFAOYSA-N;143.19;-0.14;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nda_P2";;;;;;;-0.24;;-6.58;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM407105;MM407105;C=CN(C=N)NC=NCC;RZZFKTUQFHXWFQ-UHFFFAOYSA-N;140.19;0.59;;;;;DOPC;MDCG;27;1;"MARTINI bead: C5_P3";;;;;;;-0.33;;-4.08;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM407106;MM407106;CCC1=NN=C(CCN)C1;QLINLOXYKKQSHE-UHFFFAOYSA-N;139.2;0.95;;;;;DOPC;MDCG;27;1;"MARTINI bead: SN0_SNd";;;;;;;1.17;;-3.43;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM407107;MM407107;C=CC(C=C)C(N)CNC;KZPBTHXJIQCHLT-UHFFFAOYSA-N;140.23;0.52;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1_Nd";;;;;;;0.04;;-5.47;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM407108;MM407108;CCCNN=C(C)C=O;VAWMEKOSJZVWNO-UHFFFAOYSA-N;128.18;0.56;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nd_Na";;;;;;;0.87;;-1.88;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM407109;MM407109;NCCC1=NN=C(CN)C1;UAIHWNMSPXUREI-UHFFFAOYSA-N;140.19;-0.51;;;;;DOPC;MDCG;27;1;"MARTINI bead: SNd_SP1";;;;;;;0.04;;-4.92;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM407110;MM407110;C=CC(C=C)C(F)CNC;PLXGANMOFXWPKR-UHFFFAOYSA-N;143.21;1.53;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nda_N0";;;;;;;1.17;;-2.77;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM407111;MM407111;C#CC1C(C)C1(O)CC;PKNZFHFQJFMHNG-UHFFFAOYSA-N;124.18;1.03;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNda_N0";;;;;;;1.17;;-1.13;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM407112;MM407112;CCCC1=NN=C(CO)C1;ZGUJRLVWTVRXDZ-UHFFFAOYSA-N;140.19;0.98;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC5_SNda";;;;;;;1.64;;0.05;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM407113;MM407113;C=CC(C=C)C(C)COC;CPSQGTQPTZIRTK-UHFFFAOYSA-N;140.23;2.26;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_C2";;;;;;;2.83;;0.35;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM407114;MM407114;C#CCC(C)C1(O)CC1;WKRMSCJFYKIKHR-UHFFFAOYSA-N;124.18;1.17;;;;;DOPC;MDCG;27;0;"MARTINI bead: N0_SNda";;;;;;;1.17;;-1.13;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM407115;MM407115;NCCC1=NN=C(CO)C1;MRMBHVXMXJAWHX-UHFFFAOYSA-N;141.17;-0.47;;;;;DOPC;MDCG;27;1;"MARTINI bead: SNd_SNda";;;;;;;0.87;;-4.25;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM407116;MM407116;C=CC(C#N)C(C)COC;JERFDPMOMHOVIT-UHFFFAOYSA-N;139.2;1.59;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_N0";;;;;;;1.17;;-1.18;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM407117;MM407117;CON=CON(C=O)C=O;OFUPEFXMBDSDDK-UHFFFAOYSA-N;146.1;-0.88;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_P2";;;;;;;-1.06;;-3.82;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM407118;MM407118;CCCC1=NN=C(CF)C1;AALBRSFINYCKNE-UHFFFAOYSA-N;142.18;1.96;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC5_SNa";;;;;;;1.64;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM407119;MM407119;COCC(C)C(C#N)C#N;YKMXEZJBTFVOCG-UHFFFAOYSA-N;138.17;0.93;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_N0";;;;;;;0.34;;-1.53;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM407120;MM407120;C=CC=CCC(C=C)C=C;RODFLIVFFWKEFQ-UHFFFAOYSA-N;134.22;3.11;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1_C2";;;;;;;4.87;;0.53;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM407121;MM407121;NCCC1=NN=C(CF)C1;RPZFBKAEVISHCG-UHFFFAOYSA-N;143.17;0.51;;;;;DOPC;MDCG;27;1;"MARTINI bead: SNd_SNa";;;;;;;0.87;;-4.17;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM407122;MM407122;C=CC(C=O)C(O)COC;TUUNEZWULKGXPJ-UHFFFAOYSA-N;144.17;-0.01;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_Na";;;;;;;-0.24;;-3.24;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM407123;MM407123;C=CC(C=C)CC=CC=O;TVTGOHWRCGSVHS-UHFFFAOYSA-N;136.19;2.12;;;;;DOPC;MDCG;27;0;"MARTINI bead: C2_Na";;;;;;;2.83;;0.35;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM407124;MM407124;CCCC1=NN=C(OC)C1;HYIKAMBEIMREDZ-UHFFFAOYSA-N;140.19;1.59;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC5_SNa";;;;;;;1.64;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM407125;MM407125;C=CC(C=O)C(C)NCC;GBDWXEFVELUMME-UHFFFAOYSA-N;141.21;0.99;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_Na";;;;;;;0.87;;-4.51;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM407126;MM407126;C=CC(C=C)CC=CC#N;TWOZTFYJIJPZDU-UHFFFAOYSA-N;133.19;2.44;;;;;DOPC;MDCG;27;0;"MARTINI bead: C2_N0";;;;;;;3.13;;0.3;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM407127;MM407127;COC1=NN=C(CCN)C1;BOZYFCKNEKSUST-UHFFFAOYSA-N;141.17;0.14;;;;;DOPC;MDCG;27;1;"MARTINI bead: SNa_SNd";;;;;;;0.87;;-4.23;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM407128;MM407128;CCOC(C)C(C#N)C#N;AJSRUOWANAPWOV-UHFFFAOYSA-N;138.17;1.07;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_P2";;;;;;;0.54;;-1.09;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM407129;MM407129;C=CC=CCC(C=C)C=O;ZWUXRDXZMJXCIK-UHFFFAOYSA-N;136.19;2.12;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1_Na";;;;;;;2.91;;0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM407130;MM407130;CCCc1ccc(CC)[nH]1;CQCCIDNDFWVUAJ-UHFFFAOYSA-N;137.23;2.53;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC4_SC5";;;;;;;2.97;;0.45;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM407131;MM407131;C=CC(C=C)N(C)CCC;WBGUCKUFELFRHE-UHFFFAOYSA-N;139.24;2.07;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_C2";;;;;;;2.83;;0.18;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM407132;MM407132;C=CC=CCC(C#N)C=C;SAGSSRIBQHTQJZ-UHFFFAOYSA-N;133.19;2.44;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4_C5";;;;;;;2.97;;0.45;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM407133;MM407133;CCc1ccc(CCN)[nH]1;PBIVNTGYWKDJEB-UHFFFAOYSA-N;138.21;1.08;;;;;DOPC;MDCG;27;1;"MARTINI bead: SC5_SNd";;;;;;;1.64;;-2.41;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM407134;MM407134;N#CC(N)=NC(C=O)=CN;QKERJMMQXSBFTK-UHFFFAOYSA-N;138.13;-1.13;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_P2";;;;;;;-1.34;;-4.31;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM407135;MM407135;C=CC(C=O)CC=CC=O;KCLPITFGVBHRAV-UHFFFAOYSA-N;138.17;1.13;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_Na";;;;;;;0.87;;-2.22;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM407136;MM407136;CCCc1ccc(CN)[nH]1;IWCNMAPMWWSTPA-UHFFFAOYSA-N;138.21;1.43;;;;;DOPC;MDCG;27;1;"MARTINI bead: SC4_SP1";;;;;;;1.37;;-1.41;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM407137;MM407137;C#CC1(CC(O)CC)CC1;UJTLKSNAOBTDTO-UHFFFAOYSA-N;138.21;1.56;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda_SC5";;;;;;;1.64;;0.05;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM407138;MM407138;C=CC(C=O)CC=CC#N;SRIIAAIHVDBBEO-UHFFFAOYSA-N;135.17;1.46;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_N0";;;;;;;1.17;;-1.18;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM407139;MM407139;NCCc1ccc(CN)[nH]1;OLWPRWSIGFBBPG-UHFFFAOYSA-N;139.2;-0.03;;;;;DOPC;MDCG;27;1;"MARTINI bead: SNd_SP1";;;;;;;0.04;;-5.16;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM407140;MM407140;C=CN(C=N)C(C)CCO;LPNCHZHJFCDXAP-UHFFFAOYSA-N;142.2;0.81;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1_Nd";;;;;;;0.04;;-6.26;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM407141;MM407141;C=CC(C#N)CC=CC=O;VPQMJHHFURAIKV-UHFFFAOYSA-N;135.17;1.46;;;;;DOPC;MDCG;27;0;"MARTINI bead: N0_Na";;;;;;;1.17;;-1.18;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM407142;MM407142;CCCc1ccc(CO)[nH]1;JGMUTKXITDKPEC-UHFFFAOYSA-N;139.2;1.46;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC4_SNda";;;;;;;2.2;;0.49;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM407143;MM407143;COCC(C)N(C=N)C=N;ZTMUXFFIGOEPEZ-UHFFFAOYSA-N;143.19;0.54;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1_P2";;;;;;;-1.06;;-5.07;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM407144;MM407144;C=CC(C#N)CC=CC#N;WRHHHURLYBCAEK-UHFFFAOYSA-N;132.17;1.78;;;;;DOPC;MDCG;27;0;"MARTINI bead: N0_N0";;;;;;;1.47;;-0.05;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM407145;MM407145;CCCc1ccc(CF)[nH]1;SPTCGFGRKKBHND-UHFFFAOYSA-N;141.19;2.44;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC4_SNda";;;;;;;2.2;;0.49;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM407146;MM407146;C=NN(C=O)C(C)CCN;JBKIBDYURHMQTC-UHFFFAOYSA-N;143.19;-0.2;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1_P1";;;;;;;-0.79;;-5.49;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM407147;MM407147;C=CC=CCC(C#N)C#N;XERWKKLPCFZQAT-UHFFFAOYSA-N;132.17;1.78;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1_P2";;;;;;;1.8;;0.4;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM407148;MM407148;C=C1C=CC(=NN)O1;ITKMDGZKBFYETJ-UHFFFAOYSA-N;110.12;0.36;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNda_SN0";;;;;;;1.17;;-1.13;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM407149;MM407149;C=NN(C=N)C(C)COC;PLCPSNITLLALHG-UHFFFAOYSA-N;143.19;0.55;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_P2";;;;;;;-0.24;;-3.24;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM407150;MM407150;C=CC(C=C)CC=NN=C;BRXFAKDJARXGKL-UHFFFAOYSA-N;136.2;2.05;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1_N0";;;;;;;3.21;;0.46;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM407151;MM407151;CCCc1ccc(OC)[nH]1;SYPBGHGXADOASO-UHFFFAOYSA-N;139.2;1.98;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC4_SNda";;;;;;;2.2;;0.49;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM407152;MM407152;CN(CCN)N(C=N)C=N;LSLBYKPXJNRZAO-UHFFFAOYSA-N;143.19;-0.69;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1_P4";;;;;;;-2.01;;-6.27;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM407153;MM407153;C#CC1(C)C(=O)CN1C;IQZKWTVYDKRMIV-UHFFFAOYSA-N;123.16;-0.11;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP2_SP1";;;;;;;-1.06;;-3.82;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM407154;MM407154;NN=C1C=CC(=O)O1;TUNAAGBIPQAKQP-UHFFFAOYSA-N;112.09;-0.63;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNd_SNa";;;;;;;0.87;;-1.88;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM407155;MM407155;CN(CCN)N(C=N)C=O;PAXMGYPTUKYJGK-UHFFFAOYSA-N;144.18;-1.14;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1_P5";;;;;;;-1.94;;-7.4;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM407156;MM407156;C=CC(C#N)CC=NN=C;MZCKQBKLGVGEJT-UHFFFAOYSA-N;135.17;1.39;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_N0";;;;;;;1.94;;0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM407157;MM407157;CCNc1ccc(CN)[nH]1;CXGOWLBPPAJXKF-UHFFFAOYSA-N;139.2;0.91;;;;;DOPC;MDCG;27;1;"MARTINI bead: SC5_SP1";;;;;;;0.81;;-2.07;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM407158;MM407158;C#CC1CC1C(C)(O)C=C;ACFWULWLRJCNDH-UHFFFAOYSA-N;136.19;1.19;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda_SC5";;;;;;;1.64;;0.05;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM407159;MM407159;C=NN=CCC(C#N)C=O;BKFFZLPJTHMEEI-UHFFFAOYSA-N;137.14;0.4;;;;;DOPC;MDCG;27;0;"MARTINI bead: N0_Na";;;;;;;1.17;;-1.18;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM407160;MM407160;CC1CC1OC=NN;NTPLMRHGZKGQQL-UHFFFAOYSA-N;114.15;0.31;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC5_P1";;;;;;;0.81;;-0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM407161;MM407161;CN(CCN)N(C=O)C=O;IVNJYQMZUJOQIV-UHFFFAOYSA-N;145.16;-1.59;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1_P3";;;;;;;-1.93;;-6.24;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM407162;MM407162;C=NN=CCC(C#N)C#N;GYHDFTLHTDQHQQ-UHFFFAOYSA-N;134.14;0.73;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_P2";;;;;;;0.54;;-1.09;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM407163;MM407163;NN=COC1CC1F;CWZJDOUCUJODIE-UHFFFAOYSA-N;118.11;0.02;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_SNa";;;;;;;0.04;;-2.54;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM407164;MM407164;CN(CCF)N(C=O)C=O;QKVVYPQFSLOFEH-UHFFFAOYSA-N;148.14;-0.58;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_P3";;;;;;;-0.33;;-2.01;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM407165;MM407165;C=CC(C=C)NC=CC=O;SXTBDOFKKDSWIN-UHFFFAOYSA-N;137.18;1.03;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nd_Na";;;;;;;0.87;;-1.88;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM407166;MM407166;CCCCOC=NN;GLERPWYKCQKABI-UHFFFAOYSA-N;116.16;0.71;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1_P3";;;;;;;0.94;;0.03;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM407167;MM407167;C=CCC(C)C(C=C)C=C;ZADOOEWBKOCJHJ-UHFFFAOYSA-N;136.24;3.19;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1_C2";;;;;;;4.87;;0.53;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM407168;MM407168;N#CC=CNC(C#N)C#N;QLVMXPDMXXHPMO-UHFFFAOYSA-N;132.13;0.03;;;;;DOPC;MDCG;27;0;"MARTINI bead: N0_P2";;;;;;;0.06;;-2.21;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM407169;MM407169;NN=COCCCF;UAABVEDTUZLSPA-UHFFFAOYSA-N;120.13;0.26;;;;;DOPC;MDCG;27;0;"MARTINI bead: P3_C4";;;;;;;0.23;;-1.03;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM407170;MM407170;C=CC(C=C)C(C)CC=O;UDGNIIJNZMJHBH-UHFFFAOYSA-N;138.21;2.2;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_C2";;;;;;;3.6;;0.34;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM407171;MM407171;C=CC(CCC)C(C)O;ZALZJCFTXZXTGG-UHFFFAOYSA-N;128.22;1.97;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1_P1";;;;;;;2.08;;0.48;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM407172;MM407172;C=CCCOC=NN;QWPWEONKWZOVMS-UHFFFAOYSA-N;114.15;0.48;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_C4";;;;;;;1.37;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM407173;MM407173;C=CC(C=C)C(C)CC#N;DSHXDBQKIUPKNQ-UHFFFAOYSA-N;135.21;2.52;;;;;DOPC;MDCG;27;0;"MARTINI bead: N0_C2";;;;;;;3.13;;0.3;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM407174;MM407174;O=CNC=NC(C=O)C=O;NDJIPBRCXIDSBY-UHFFFAOYSA-N;142.11;-1.47;;;;;DOPC;MDCG;27;0;"MARTINI bead: P4_Na";;;;;;;-1.19;;-4.76;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM407175;MM407175;CCCc1cnc(NC)[nH]1;FUMLWHPWOFGSNA-UHFFFAOYSA-N;139.2;1.4;;;;;DOPC;MDCG;27;1;"MARTINI bead: SNd_SNda";;;;;;;0.87;;-3.01;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM407176;MM407176;N#CC(C=O)N=CNC=O;HAJOWGUAYXJPOJ-UHFFFAOYSA-N;139.11;-1.15;;;;;DOPC;MDCG;27;0;"MARTINI bead: P4_Na";;;;;;;-1.19;;-4.76;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM407177;MM407177;C=CC(C=O)C(C)CC=O;WAJZSPKFGPNJQM-UHFFFAOYSA-N;140.18;1.21;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4_P2";;;;;;;1.09;;-0.38;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM407178;MM407178;NN=COCOC=O;IKSQQZHMLFQIHI-UHFFFAOYSA-N;118.09;-0.96;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_P2";;;;;;;-1.06;;-3.82;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM407179;MM407179;CC(C)C1(CO)CCC1;AEURWFNHWVWEER-UHFFFAOYSA-N;128.22;1.81;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC5_SC4";;;;;;;2.97;;0.45;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM407180;MM407180;C=CCC(C)C(C=O)C=O;YHYNZLAGUBEZMA-UHFFFAOYSA-N;140.18;1.21;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4_P2";;;;;;;1.09;;-0.38;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM407181;MM407181;C#CCCOC=NN;YFRLGXAWWKUIEL-UHFFFAOYSA-N;112.13;-0.07;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_N0";;;;;;;0.34;;-1.53;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM407182;MM407182;CCc1cc(N)c(C)[nH]1;KDZIJJSITAIERB-UHFFFAOYSA-N;124.19;1.47;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC5_SNd";;;;;;;1.64;;0.02;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM407183;MM407183;CC(CC=O)C(C#N)C#N;KBPNYRJZIJVSHI-UHFFFAOYSA-N;136.15;0.87;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_P2";;;;;;;0.54;;-1.09;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM407184;MM407184;CC=CCOC=NN;PQFWKXJHHWCGRH-UHFFFAOYSA-N;114.15;0.48;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4_P1";;;;;;;1.37;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM407185;MM407185;C=CCC(N)C(C=C)C=C;BDIQUXMLBKALPL-UHFFFAOYSA-N;137.23;1.88;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_C2";;;;;;;2.83;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM407186;MM407186;Nc1nc(CF)oc1N;UUKMKFSPUCFSRY-UHFFFAOYSA-N;131.11;0.31;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNa_SP1";;;;;;;0.04;;-2.54;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM407187;MM407187;NN=COCC=CF;HLTGKDPBXCHXCO-UHFFFAOYSA-N;118.11;0.39;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_C5";;;;;;;0.81;;-0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM407188;MM407188;C=CC(C=C)C(O)CC=O;MKRZULSUHBBAAX-UHFFFAOYSA-N;140.18;0.92;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_P2";;;;;;;0.54;;-1.09;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM407189;MM407189;CC1CC2(C)NC2C1=O;MQRVAVHPWTXHRN-UHFFFAOYSA-N;125.17;0.33;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNd_SNa";;;;;;;0.87;;-1.88;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM407190;MM407190;CCNc1cnc(NC)[nH]1;WLUDLQXJUAFISK-UHFFFAOYSA-N;140.19;0.88;;;;;DOPC;MDCG;27;1;"MARTINI bead: SNd_SNda";;;;;;;0.87;;-3.7;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM407191;MM407191;C=CC(C=O)C(O)CC=O;ZAVOFZSHTHCQNC-UHFFFAOYSA-N;142.15;-0.06;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_Na";;;;;;;-0.24;;-3.24;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM407192;MM407192;C=C1CC2(O)CC2C1=C;AHMCVYWCTVNDBA-UHFFFAOYSA-N;122.17;1.25;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNda_SC4";;;;;;;2.2;;0.49;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM407193;MM407193;NN=CCOC=NN;ONIZAVMFFSHXNY-UHFFFAOYSA-N;116.12;-1.15;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_P1";;;;;;;-0.79;;-3.13;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM407194;MM407194;C=CCC(O)C(C=O)C=O;LZSIRDJHVRYWFZ-UHFFFAOYSA-N;142.15;-0.06;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda_P2";;;;;;;-0.24;;-3.31;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM407195;MM407195;C=CC=NNC(C=O)C=O;BDVBUJMWPRCJTI-UHFFFAOYSA-N;140.14;-0.49;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nd_Na";;;;;;;0.87;;-1.88;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM407196;MM407196;CCC=COC=NN;ZGLCKODGCZPXAM-UHFFFAOYSA-N;114.15;0.83;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_P1";;;;;;;0.81;;-0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM407197;MM407197;C=CCC(O)C(C#N)C=O;UKOCJVDILHVIPR-UHFFFAOYSA-N;139.15;0.26;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda_P2";;;;;;;-0.24;;-3.31;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM407198;MM407198;C=C1CC2(C)NC2C1=O;BACCMPFGCZXEMG-UHFFFAOYSA-N;123.16;0.25;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNd_SNa";;;;;;;0.87;;-1.88;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM407199;MM407199;C=CC=COC=NN;GAYBLYAONPOPME-UHFFFAOYSA-N;112.13;0.6;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_C4";;;;;;;1.37;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM407200;MM407200;O=CCC(O)C(C=O)C=O;JAZYBTQZDVJYJE-UHFFFAOYSA-N;144.13;-1.05;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_Na";;;;;;;-0.24;;-3.24;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM407201;MM407201;N#CC(C=O)NN=CC=O;SVBVEYICAXECPU-UHFFFAOYSA-N;139.11;-1.15;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda_P2";;;;;;;-0.24;;-3.31;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM407202;MM407202;NN=COCC1CC1;JSGKIRYHRBJVNV-UHFFFAOYSA-N;114.15;0.32;;;;;DOPC;MDCG;27;0;"MARTINI bead: P3_SC5";;;;;;;-0.33;;-2.01;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM407203;MM407203;N#CCC(O)C(C=O)C=O;WTVBZFKQZSREGT-UHFFFAOYSA-N;141.13;-0.73;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_Na";;;;;;;-0.24;;-3.24;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM407204;MM407204;C=CC=COC(C=C)C=C;CIOAYJOQMMVEFU-UHFFFAOYSA-N;136.19;2.44;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_C2";;;;;;;2.83;;0.35;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM407205;MM407205;CCNc1ncc(CC)[nH]1;BCRZELCIJDSWSY-UHFFFAOYSA-N;139.2;1.4;;;;;DOPC;MDCG;27;1;"MARTINI bead: SNda_SNd";;;;;;;0.87;;-3.01;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM407206;MM407206;N#CC(C=O)C(O)CC=O;RAXXGRJCLZBJAQ-UHFFFAOYSA-N;141.13;-0.73;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_Na";;;;;;;-0.24;;-3.24;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM407207;MM407207;C=CC(C=C)OC=CC=O;PBWFFVGEEGYTRC-UHFFFAOYSA-N;138.17;1.46;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_Na";;;;;;;0.87;;-2.22;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM407208;MM407208;CCNc1ncc(CN)[nH]1;MHIKHWTXVRQIII-UHFFFAOYSA-N;140.19;0.3;;;;;DOPC;MDCG;27;1;"MARTINI bead: SNda_SP2";;;;;;;-0.24;;-4.64;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM407209;MM407209;C=CC(C=C)C(C)NC=N;DPBIFYDMKPYQTN-UHFFFAOYSA-N;138.21;1.56;;;;;DOPC;MDCG;27;1;"MARTINI bead: P3_C1";;;;;;;0.94;;-3.62;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM407210;MM407210;C=CC(C=C)OC=CC#N;QQONJDTXFHYAAA-UHFFFAOYSA-N;135.17;1.78;;;;;DOPC;MDCG;27;0;"MARTINI bead: C2_P2";;;;;;;1.72;;0.27;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM407211;MM407211;CCNc1ncc(NC)[nH]1;MMZOLTOUQOTPJP-UHFFFAOYSA-N;140.19;0.88;;;;;DOPC;MDCG;27;1;"MARTINI bead: SNda_SNd";;;;;;;0.87;;-3.7;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM407212;MM407212;C#CCNC(C)=NN=CC;AMUKCCDUAWECTC-UHFFFAOYSA-N;137.19;0.63;;;;;DOPC;MDCG;27;0;"MARTINI bead: C3_P2";;;;;;;1.46;;-0.15;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM407213;MM407213;C=CC=COC(C=C)C=O;VEYUPFZOWWUAKC-UHFFFAOYSA-N;138.17;1.46;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_Na";;;;;;;0.87;;-2.22;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM407214;MM407214;CCCc1n[nH]c(CC)n1;KCCZHWRDLZGABQ-UHFFFAOYSA-N;139.2;1.32;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNda_SNda";;;;;;;0.87;;-2.07;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM407215;MM407215;C=CC(C#N)C(C)NC=N;HUFMXYZTTSCWIK-UHFFFAOYSA-N;137.19;0.9;;;;;DOPC;MDCG;27;1;"MARTINI bead: P3_C4";;;;;;;0.23;;-4.74;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM407216;MM407216;C=CC=COC(C#N)C=C;OGUIJNCBUMQCBF-UHFFFAOYSA-N;135.17;1.78;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_N0";;;;;;;1.17;;-1.18;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM407217;MM407217;CCCc1nnc(CO)[nH]1;FJTZQHSEQKCNOA-UHFFFAOYSA-N;141.17;0.25;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNda_SP2";;;;;;;-0.24;;-3.31;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM407218;MM407218;CC=NNC(C)C(F)C#N;XBLMDYCPSCFHBF-UHFFFAOYSA-N;143.17;0.83;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nd_Na";;;;;;;0.87;;-1.88;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM407219;MM407219;C=CC(C#N)OC=CC#N;QZSUEFOHEAXWTN-UHFFFAOYSA-N;134.14;1.12;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_P2";;;;;;;0.54;;-1.09;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM407220;MM407220;CCCc1n[nH]c(CF)n1;OBTHBLYDWHYOKO-UHFFFAOYSA-N;143.17;1.23;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNda_SP1";;;;;;;0.04;;-2.73;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM407221;MM407221;C=CC(C#N)C(C)NC=O;XGFMVKYHSKVNNN-UHFFFAOYSA-N;138.17;0.45;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_N0";;;;;;;0.34;;-1.53;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM407222;MM407222;C=CC=COC(C=O)C=O;KZTHSICGBXBDFU-UHFFFAOYSA-N;140.14;0.47;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_Na";;;;;;;0.87;;-2.22;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM407223;MM407223;NN=COCC1CO1;LYMOMIUVHGCBGD-UHFFFAOYSA-N;116.12;-0.7;;;;;DOPC;MDCG;27;0;"MARTINI bead: P3_SNa";;;;;;;-1.1;;-4.2;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM407224;MM407224;C=CC(C=C)C(C)NN=C;XSEWALUHVXJEPT-UHFFFAOYSA-N;138.21;1.57;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_C1";;;;;;;2.08;;0.48;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM407225;MM407225;C=CC=COC(C#N)C=O;TVMAKDHRRLYFEF-UHFFFAOYSA-N;137.14;0.79;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_Na";;;;;;;0.87;;-2.22;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM407226;MM407226;CCCc1nc(OC)n[nH]1;KNVZVLKHVWUPEC-UHFFFAOYSA-N;141.17;0.77;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNda_SP1";;;;;;;0.04;;-2.73;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM407227;MM407227;CCC(=O)N(C)N=CNN;UZRNUONFDDDSST-UHFFFAOYSA-N;144.18;-0.74;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_P5";;;;;;;-0.34;;-3.42;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM407228;MM407228;C=CC=COC(C#N)C#N;USVLNCDUEVORLZ-UHFFFAOYSA-N;134.14;1.12;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_P2";;;;;;;0.54;;-1.09;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM407229;MM407229;CC(C)(C)COC=NN;RYWSBPJLGHZCFD-UHFFFAOYSA-N;130.19;0.95;;;;;DOPC;MDCG;27;0;"MARTINI bead: C3_P1";;;;;;;1.74;;0.29;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM407230;MM407230;C=NNC(C)C(C#N)C#N;IYSORKBCIFJOIH-UHFFFAOYSA-N;136.16;0.24;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_N0";;;;;;;0.34;;-1.53;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM407231;MM407231;O=CC=COC(C=O)C=O;NRURJVGMKYBWQR-UHFFFAOYSA-N;142.11;-0.52;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_Na";;;;;;;0.87;;-2.22;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM407232;MM407232;CC(C)(F)COC=NN;OKZNGBJFWUZSOV-UHFFFAOYSA-N;134.15;0.65;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_P1";;;;;;;0.81;;-0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM407233;MM407233;C=CC(C=C)C(C)OC=O;PKRLTODETYZIRW-UHFFFAOYSA-N;140.18;1.54;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_C2";;;;;;;2.83;;0.35;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM407234;MM407234;N#CC=COC(C#N)C=O;NCWUIINRKLVNNX-UHFFFAOYSA-N;136.11;0.13;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_N0";;;;;;;0.06;;-2.21;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM407235;MM407235;CCCc1ccc(CC)o1;SBTMCCFONKAYRW-UHFFFAOYSA-N;138.21;2.79;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC3_SC4";;;;;;;3.9;;0.47;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM407236;MM407236;C=COC(C)C(C=C)C=O;QGMHCOOEMJGTCG-UHFFFAOYSA-N;140.18;1.54;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_Na";;;;;;;1.64;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM407237;MM407237;C=CC(C=C)OC=NN=C;XPRNWDYKHTXWRR-UHFFFAOYSA-N;138.17;1.39;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_N0";;;;;;;1.17;;-1.18;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM407238;MM407238;CCCc1ccc(CO)o1;SSEIGOHJXIXVFE-UHFFFAOYSA-N;140.18;1.72;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC3_SNda";;;;;;;2.57;;0.44;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM407239;MM407239;C=CC(C#N)C(C)OC=O;FXIMWFHFGYZXLJ-UHFFFAOYSA-N;139.15;0.87;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_N0";;;;;;;1.17;;-1.18;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM407240;MM407240;C=CC=NOC(C=C)C=C;QWBAEHWXALQYEZ-UHFFFAOYSA-N;137.18;1.92;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_C2";;;;;;;2.83;;0.35;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM407241;MM407241;CCCc1ccc(CF)o1;TUWJBMLZITXVLG-UHFFFAOYSA-N;142.17;2.7;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC3_SC5";;;;;;;3.34;;0.48;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM407242;MM407242;C=COC(C)C(C#N)C#N;HNDPSVQMAVYMDQ-UHFFFAOYSA-N;136.15;1.2;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_P2";;;;;;;0.54;;-1.09;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM407243;MM407243;C=CC(C=C)ON=CC#N;NBNJQHBPGLEGQS-UHFFFAOYSA-N;136.15;1.25;;;;;DOPC;MDCG;27;0;"MARTINI bead: C2_P2";;;;;;;1.72;;0.27;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM407244;MM407244;CCCc1ccc(NC)o1;AUOCUELOGKNEML-UHFFFAOYSA-N;139.2;2.27;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC3_SNd";;;;;;;2.57;;0.53;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM407245;MM407245;C=CC(C=C)C(C)ON=C;JYEGLSDFJFHCEK-UHFFFAOYSA-N;139.2;2;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_C2";;;;;;;2.83;;0.35;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM407246;MM407246;C#Cc1c[nH]c(C)c1N;SKEVKFAYNSEGKF-UHFFFAOYSA-N;120.16;0.89;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNd_SNd";;;;;;;0.87;;-2.11;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM407247;MM407247;CCCc1ccc(OC)o1;LMNOVEKSTVYSJC-UHFFFAOYSA-N;140.18;2.24;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC3_SNa";;;;;;;2.57;;0.45;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM407248;MM407248;C=CC(C#N)C(C)ON=C;VKSTVJVVCGWHHO-UHFFFAOYSA-N;138.17;1.33;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_N0";;;;;;;1.17;;-1.18;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM407249;MM407249;C=CC=NOC(C#N)C=C;DKMYWNYSIWRMDP-UHFFFAOYSA-N;136.15;1.25;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_N0";;;;;;;1.17;;-1.18;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM407250;MM407250;CCNc1ccc(CO)o1;ROIXNAGIRIDRTO-UHFFFAOYSA-N;141.17;1.2;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC5_SNda";;;;;;;1.64;;0.05;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM407251;MM407251;C=NOC(C)C(C#N)C#N;DWFRSKHMDIHCHH-UHFFFAOYSA-N;137.14;0.67;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_N0";;;;;;;0.34;;-1.53;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM407252;MM407252;C=CN(C=N)CC=CC#N;KXMDSCPRKITNTB-UHFFFAOYSA-N;135.17;1.12;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1_N0";;;;;;;0.34;;-4.97;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM407253;MM407253;CCNc1ccc(CF)o1;OEZCIMJORCTAQN-UHFFFAOYSA-N;143.16;2.18;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC5_SC5";;;;;;;2.41;;0.64;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM407254;MM407254;C=CC(=O)N(C)N=CNN;JRUZTRQHOYZSCP-UHFFFAOYSA-N;142.16;-0.96;;;;;DOPC;MDCG;27;0;"MARTINI bead: P3_Na";;;;;;;-1.1;;-4.2;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM407255;MM407255;C=CC=CCN(C=N)C=O;YIFQCCSMGVFMFW-UHFFFAOYSA-N;138.17;0.79;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4_P3";;;;;;;0.23;;-1.03;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM407256;MM407256;CCNc1ccc(NC)o1;GGPPMNDSOWISNP-UHFFFAOYSA-N;140.19;1.75;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC5_SNd";;;;;;;1.64;;0.02;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM407257;MM407257;C=CC(C=O)N(C)N=CN;FGVHPWUTFQIHBH-UHFFFAOYSA-N;141.17;-0.43;;;;;DOPC;MDCG;27;1;"MARTINI bead: P3_Na";;;;;;;-1.1;;-5.49;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM407258;MM407258;O=CC=CCN(C=O)C=O;YMCLVDCTXGSUGD-UHFFFAOYSA-N;141.13;-0.64;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_P2";;;;;;;-0.24;;-3.24;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM407259;MM407259;CCNc1ccc(OC)o1;SVNLXLXSWKWAAG-UHFFFAOYSA-N;141.17;1.72;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC5_SNa";;;;;;;1.64;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM407260;MM407260;C=CC(C#N)N(C)NC=N;QVBRXYDSEISETD-UHFFFAOYSA-N;138.17;0.11;;;;;DOPC;MDCG;27;1;"MARTINI bead: P4_N0";;;;;;;-0.88;;-6.36;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM407261;MM407261;C=NN(C=O)CC=CC=O;LPGOGQZVOJRFJH-UHFFFAOYSA-N;140.14;-0.18;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_Na";;;;;;;-0.24;;-3.24;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM407262;MM407262;CCCc1cnc(CC)o1;YASBZGXGLLQDSJ-UHFFFAOYSA-N;139.2;2.19;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC5_SNa";;;;;;;1.64;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM407263;MM407263;C=CC(C=O)N(C)NC=O;YAEKLYFMKBURDN-UHFFFAOYSA-N;142.16;-0.67;;;;;DOPC;MDCG;27;0;"MARTINI bead: P4_Na";;;;;;;-1.19;;-4.76;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM407264;MM407264;C=NN=CCN(C=N)N=C;PONOWKMXXFDCGQ-UHFFFAOYSA-N;139.16;0.2;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_P2";;;;;;;0.54;;-1.09;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM407265;MM407265;CCCc1cnc(CO)o1;DIAGFNKSRVHGQS-UHFFFAOYSA-N;141.17;1.12;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC5_SP1";;;;;;;0.81;;-0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM407266;MM407266;CN(N=CN)C(C#N)C=O;OGYLZSLSWJGAAX-UHFFFAOYSA-N;140.15;-1.09;;;;;DOPC;MDCG;27;1;"MARTINI bead: P3_Na";;;;;;;-1.1;;-5.41;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM407267;MM407267;C=NN=CCN(C=O)N=C;VGVMKEOEXPJHOC-UHFFFAOYSA-N;140.15;-0.25;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_P2";;;;;;;0.54;;-1.09;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM407268;MM407268;CCCc1cnc(CF)o1;AUVBSBFDHMHESA-UHFFFAOYSA-N;143.16;2.1;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC5_SNa";;;;;;;1.64;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM407269;MM407269;CN(NC=O)C(C#N)C=O;ILGNUOYSHQENFL-UHFFFAOYSA-N;141.13;-1.33;;;;;DOPC;MDCG;27;0;"MARTINI bead: P4_Na";;;;;;;-1.19;;-4.76;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM407270;MM407270;C=CN(C=O)NC=CC#N;WHVSUIHQJKJYRN-UHFFFAOYSA-N;137.14;0.13;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_N0";;;;;;;0.06;;-2.21;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM407271;MM407271;CC(F)(F)COC=NN;LDCGHDZQSUETEJ-UHFFFAOYSA-N;138.12;0.56;;;;;DOPC;MDCG;27;0;"MARTINI bead: N0_P1";;;;;;;0.34;;-1.53;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM407272;MM407272;CC(CC=O)N(C=O)C=O;FHDCDCJYQHUWCO-UHFFFAOYSA-N;143.14;-0.42;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_P2";;;;;;;-0.24;;-3.24;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM407273;MM407273;Cc1c(N)c[nH]c1CF;UJYGQYXPFQQILS-UHFFFAOYSA-N;128.15;1.37;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNd_SNda";;;;;;;0.87;;-1.92;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM407274;MM407274;CCCc1cnc(OC)o1;OJRGBCGJBBWVHA-UHFFFAOYSA-N;141.17;1.64;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC5_SNa";;;;;;;1.64;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM407275;MM407275;CNN=COCC(=O)OC;AXGISIAQCONZET-UHFFFAOYSA-N;146.15;-0.66;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_Na";;;;;;;-0.24;;-3.24;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM407276;MM407276;Cc1c[nH]c(CF)c1N;WZSXWZKWUIFSES-UHFFFAOYSA-N;128.15;1.37;;;;;DOPC;MDCG;27;0;"MARTINI bead: SN0_SNda";;;;;;;1.17;;-1.13;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM407277;MM407277;CCCc1ncc(CC)o1;QQCWDOQKZRFUKY-UHFFFAOYSA-N;139.2;2.19;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC5_SN0";;;;;;;1.94;;0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM407278;MM407278;NC1CC1OC(=CF)CO;PNKCZGSQQQFIOS-UHFFFAOYSA-N;147.15;-0.09;;;;;DOPC;MDCG;27;1;"MARTINI bead: SP1_P2";;;;;;;-1.06;;-5.64;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM407279;MM407279;C=CCN(C)N(C=C)C=O;XNEPNHMSLLPFFV-UHFFFAOYSA-N;140.19;0.62;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_N0";;;;;;;0.06;;-2.21;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM407280;MM407280;N#CC=CNN(C=O)C=O;JONVGHVWTXHTKS-UHFFFAOYSA-N;139.11;-0.86;;;;;DOPC;MDCG;27;0;"MARTINI bead: P3_N0";;;;;;;-0.8;;-2.99;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM407281;MM407281;CCCc1ncc(CO)o1;IPRZPYABWKIOAR-UHFFFAOYSA-N;141.17;1.12;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC5_SP1";;;;;;;0.81;;-0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM407282;MM407282;NC1CC1OC(=CF)CF;DRMJTUPMNIAHBB-UHFFFAOYSA-N;149.14;0.88;;;;;DOPC;MDCG;27;1;"MARTINI bead: SP1_Na";;;;;;;0.04;;-4.35;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM407283;MM407283;CNN=COCC(F)=CF;LVGGXGXAWZOTMK-UHFFFAOYSA-N;150.13;0.95;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_C5";;;;;;;0.81;;-0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM407284;MM407284;C=Cc1[nH]cc(C)c1N;QRCMXQISYNQFIZ-UHFFFAOYSA-N;122.17;1.55;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNd_SNd";;;;;;;0.87;;-2.11;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM407285;MM407285;CCC(C)(C)OC=NN;QTXICBXNCQEOLK-UHFFFAOYSA-N;130.19;1.09;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_Nda";;;;;;;1.64;;0.05;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM407286;MM407286;CC=C(CC)OC1CC1O;LDILWVIVIMHUDO-UHFFFAOYSA-N;142.2;1.45;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4_SP1";;;;;;;1.37;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM407287;MM407287;C#CCC(N)C(C=C)C=C;IRHPQDDHCVAUTA-UHFFFAOYSA-N;135.21;1.33;;;;;DOPC;MDCG;27;1;"MARTINI bead: N0_Nd";;;;;;;1.17;;-3.71;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM407288;MM407288;N=CNC=NN(C=N)C=O;UQJRKEMMIJQOQE-UHFFFAOYSA-N;141.13;-0.81;;;;;DOPC;MDCG;27;1;"MARTINI bead: P3_P2";;;;;;;-2.2;;-6.34;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM407289;MM407289;CCCc1ncc(OC)o1;MDMRXHLEQNYTKL-UHFFFAOYSA-N;141.17;1.64;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC5_SNa";;;;;;;1.64;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM407290;MM407290;CCC(=CF)OC1CC1O;WTTMLANHXBDZBR-UHFFFAOYSA-N;146.16;1.36;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_SP1";;;;;;;0.04;;-2.54;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM407291;MM407291;C#CC(=C)OC=NNCC;ZJOPJNMQIDEPLH-UHFFFAOYSA-N;138.17;0.7;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nd_Na";;;;;;;0.87;;-1.88;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM407292;MM407292;C=CN(C=N)NC=NN=C;ABOXZEZADBMQBU-UHFFFAOYSA-N;139.16;0.19;;;;;DOPC;MDCG;27;1;"MARTINI bead: P3_N0";;;;;;;-0.8;;-4.99;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM407293;MM407293;C=CCC1=CC=C(CC)C1;ZOSMQMZDRFHERE-UHFFFAOYSA-N;134.22;3.23;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC3_SC4";;;;;;;3.9;;0.47;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM407294;MM407294;NCC(=CF)OC1CC1O;SXNCNVXTSYYJEH-UHFFFAOYSA-N;147.15;-0.09;;;;;DOPC;MDCG;27;1;"MARTINI bead: P2_SP1";;;;;;;-1.06;;-5.18;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM407295;MM407295;C#CCC(C)N(C=N)C=N;BFGUVRKYCOGQGL-UHFFFAOYSA-N;137.19;0.91;;;;;DOPC;MDCG;27;1;"MARTINI bead: N0_P2";;;;;;;0.06;;-3.75;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM407296;MM407296;CCC1(CO)CCC1C;ZUXDKJVUYCKLBT-UHFFFAOYSA-N;128.22;1.81;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC5_SC4";;;;;;;2.97;;0.45;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM407297;MM407297;CCC1=CC=C(CC=O)C1;AMAJGIKYXSFHCM-UHFFFAOYSA-N;136.19;2.24;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC3_SNa";;;;;;;2.57;;0.45;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM407298;MM407298;CC=C(CC)OC1CC1F;JUOTXKQJACMTAZ-UHFFFAOYSA-N;144.19;2.43;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4_SNa";;;;;;;2.2;;0.34;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM407299;MM407299;C#CCC(C)N(C=O)C=O;FJQZJYISWKUNDX-UHFFFAOYSA-N;139.15;0.01;;;;;DOPC;MDCG;27;0;"MARTINI bead: N0_P2";;;;;;;0.06;;-2.21;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM407300;MM407300;CNc1c[nH]c(NC)c1;RVRUIHPEZYNRNN-UHFFFAOYSA-N;125.18;1.1;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNd_SNd";;;;;;;0.87;;-2.11;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM407301;MM407301;CCC1=CC=C(CC#N)C1;KDIKZUHSKHQZLR-UHFFFAOYSA-N;133.19;2.57;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC3_SN0";;;;;;;2.87;;0.37;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM407302;MM407302;CCC(=CF)OC1CC1F;VZISORYTEDIICV-UHFFFAOYSA-N;148.15;2.33;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_SNa";;;;;;;0.87;;-2.22;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM407303;MM407303;C#CCC(C)N(C=N)N=C;QGTKBINAYFXKCA-UHFFFAOYSA-N;137.19;0.92;;;;;DOPC;MDCG;27;0;"MARTINI bead: N0_P1";;;;;;;0.34;;-1.53;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM407304;MM407304;C=NN=CON(C=O)C=O;VCSWKNRBTYVZHS-UHFFFAOYSA-N;143.1;-0.82;;;;;DOPC;MDCG;27;0;"MARTINI bead: N0_P2";;;;;;;0.06;;-2.21;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM407305;MM407305;C=CCC1=CC=C(CN)C1;JXCWAFARCGYQOB-UHFFFAOYSA-N;135.21;1.78;;;;;DOPC;MDCG;27;1;"MARTINI bead: SNd_SC4";;;;;;;2.2;;-1.65;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM407306;MM407306;CC=C(CN)OC1CC1F;NJDNWNVOHLASGD-UHFFFAOYSA-N;145.18;0.98;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1_SNa";;;;;;;0.04;;-3.98;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM407307;MM407307;C#CCC(C)N(C=O)N=C;QVGUPVNACOLHQD-UHFFFAOYSA-N;138.17;0.47;;;;;DOPC;MDCG;27;0;"MARTINI bead: N0_P1";;;;;;;0.34;;-1.53;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM407308;MM407308;C#CC=CCC(C=C)C=C;HPYKWANNEWITEW-UHFFFAOYSA-N;132.21;2.55;;;;;DOPC;MDCG;27;0;"MARTINI bead: C2_C4";;;;;;;4.16;;0.44;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM407309;MM407309;C=CCC1=CC=C(CO)C1;CZHIBDWOLMKGRR-UHFFFAOYSA-N;136.19;1.81;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNda_SC4";;;;;;;2.2;;0.49;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM407310;MM407310;Cn1cnc(=NN)nn1;JOFCKIQLLZHOND-UHFFFAOYSA-N;126.12;-2.02;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP3_SP3";;;;;;;-3.07;;-6.15;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM407311;MM407311;C#CCN(C)N(C=N)C=O;LZXCZLBRTJPRPH-UHFFFAOYSA-N;139.16;-0.47;;;;;DOPC;MDCG;27;0;"MARTINI bead: N0_P5";;;;;;;-0.81;;-4.41;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM407312;MM407312;C#CC=CCC(C=C)C=O;NWQZBWPQOJIYAM-UHFFFAOYSA-N;134.18;1.57;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_C4";;;;;;;2.2;;0.34;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM407313;MM407313;O=CCC1=CC=C(CO)C1;WQVCQHBLIDQQNH-UHFFFAOYSA-N;138.17;0.82;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNda_SNa";;;;;;;0.87;;-1.99;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM407314;MM407314;CCC(=NO)OC1CC1C;PXWLBGUYTLNVBL-UHFFFAOYSA-N;143.19;1.61;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_SC5";;;;;;;0.81;;-0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM407315;MM407315;C#CCN(C)N(C=O)C=O;ODLUYLMNMMNKFJ-UHFFFAOYSA-N;140.14;-0.92;;;;;DOPC;MDCG;27;0;"MARTINI bead: N0_P3";;;;;;;-0.8;;-2.99;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM407316;MM407316;C#CC=CCC(C#N)C=C;UZRDLUOPMADHDI-UHFFFAOYSA-N;131.18;1.89;;;;;DOPC;MDCG;27;0;"MARTINI bead: N0_C4";;;;;;;2.5;;0.44;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM407317;MM407317;N#CCC1=CC=C(CO)C1;HNGVBIKRMSNBQP-UHFFFAOYSA-N;135.17;1.15;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNda_SN0";;;;;;;1.17;;-1.13;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM407318;MM407318;CCC(=NO)OC1CC1N;IOSGFZILLOGYIN-UHFFFAOYSA-N;144.17;0.3;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1_SP1";;;;;;;-0.79;;-4.7;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM407319;MM407319;C#CC(C=C)C(C)CCC;WGDNNFMLCUJYPK-UHFFFAOYSA-N;136.24;2.86;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1_C5";;;;;;;3.68;;0.46;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM407320;MM407320;C#CC=CCC(C#N)C#N;GRSANGZZJWUZLJ-UHFFFAOYSA-N;130.15;1.23;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4_P2";;;;;;;1.09;;-0.37;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM407321;MM407321;C=CCC1=CC=C(CF)C1;FGNNPDGEFLWNSC-UHFFFAOYSA-N;138.19;2.79;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC5_SC4";;;;;;;2.97;;0.45;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM407322;MM407322;CCC(=NO)OC1CC1F;KTQYIKDYARJENS-UHFFFAOYSA-N;147.15;1.31;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_SNa";;;;;;;0.04;;-2.54;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM407323;MM407323;C#CC(C#N)C(C)CCO;GCUJBIATDAOGMB-UHFFFAOYSA-N;137.18;0.78;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_C5";;;;;;;0.81;;-0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM407324;MM407324;C#CC=COC(C=C)C=C;LVCWLAGAXAXYOS-UHFFFAOYSA-N;134.18;1.89;;;;;DOPC;MDCG;27;0;"MARTINI bead: C2_Na";;;;;;;2.83;;0.35;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM407325;MM407325;N#CCC1=CC=C(CF)C1;IGZDKNIUWLOIGP-UHFFFAOYSA-N;137.16;2.13;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC5_SN0";;;;;;;1.94;;0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM407326;MM407326;CN=C(NC)OC1CC1C;XJXAASMVJMXYTD-UHFFFAOYSA-N;142.2;0.62;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1_SC5";;;;;;;0.81;;-1.88;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM407327;MM407327;C#CC(C=O)C(C)CCF;JYKSSFKQHOZOPS-UHFFFAOYSA-N;142.17;1.43;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_Na";;;;;;;1.64;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM407328;MM407328;C#CC=COC(C=C)C=O;YCHBTTKVOZVBSX-UHFFFAOYSA-N;136.15;0.9;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_Na";;;;;;;0.87;;-2.22;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM407329;MM407329;C=CCC1=CC=C(OC)C1;WEHMHLJVRYPOIZ-UHFFFAOYSA-N;136.19;2.42;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC5_SC4";;;;;;;2.97;;0.45;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM407330;MM407330;NN=c1ncn(N)nn1;URXAYOQVOAJOOI-UHFFFAOYSA-N;127.11;-2.84;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP3_SP4";;;;;;;-3.15;;-6.87;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM407331;MM407331;C#CC(C=C)C(N)CCC;OLQBIAPFEOOOQC-UHFFFAOYSA-N;137.23;1.55;;;;;DOPC;MDCG;27;1;"MARTINI bead: C3_Nd";;;;;;;2.57;;-1.41;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM407332;MM407332;C#CC=COC(C#N)C=C;LVQYBMGYTMSCGZ-UHFFFAOYSA-N;133.15;1.23;;;;;DOPC;MDCG;27;0;"MARTINI bead: N0_Na";;;;;;;1.17;;-1.18;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM407333;MM407333;COC1=CC=C(CC=O)C1;GAIQNFKXLHZHOJ-UHFFFAOYSA-N;138.17;1.44;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC5_SNa";;;;;;;1.64;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM407334;MM407334;C#CCC(=C)CC(C)(C)O;JNKIWSUBHNLAGJ-UHFFFAOYSA-N;138.21;1.73;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda_C4";;;;;;;2.2;;0.49;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM407335;MM407335;C#CC(C=C)C(N)CCN;OSWZYPYIYPNHSM-UHFFFAOYSA-N;138.21;0.1;;;;;DOPC;MDCG;27;1;"MARTINI bead: P3_C5";;;;;;;-0.33;;-4.66;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM407336;MM407336;C#CC=COC(C#N)C=O;VYYKRKGWIYOQLT-UHFFFAOYSA-N;135.12;0.24;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_N0";;;;;;;0.34;;-1.53;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM407337;MM407337;COC1=CC=C(CC#N)C1;CVZXHKLKYMBPNM-UHFFFAOYSA-N;135.17;1.76;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC5_SN0";;;;;;;1.94;;0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM407338;MM407338;CN=C(NC)OC1CC1N;QNMSTTUCGDCJMZ-UHFFFAOYSA-N;143.19;-0.69;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1_SP1";;;;;;;-0.79;;-4.73;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM407339;MM407339;C#CC(C=C)C(N)CCF;KMYKIVWSLQRDIZ-UHFFFAOYSA-N;141.19;1.11;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1_C5";;;;;;;0.81;;-3.1;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM407340;MM407340;C#CC=NOC(C=C)C=C;JHSGGLCKRSNVHD-UHFFFAOYSA-N;135.17;1.36;;;;;DOPC;MDCG;27;0;"MARTINI bead: C2_P1";;;;;;;2;;0.29;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM407341;MM407341;CCC1=CC=C(NC=N)C1;VRPVVQCNMLPWFE-UHFFFAOYSA-N;136.2;1.81;;;;;DOPC;MDCG;27;1;"MARTINI bead: SC3_SNd";;;;;;;2.57;;-2.25;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM407342;MM407342;CN=C(NC)OC1CC1O;QEQHELROBNOFEN-UHFFFAOYSA-N;144.17;-0.66;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1_SP1";;;;;;;-0.79;;-4.5;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM407343;MM407343;C#CC(C#N)C(O)CCO;RSPPNKHTDSCZGP-UHFFFAOYSA-N;139.15;-0.5;;;;;DOPC;MDCG;27;0;"MARTINI bead: P3_N0";;;;;;;-0.8;;-2.99;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM407344;MM407344;C#CC=NOC(C#N)C=C;QJSCYJVISCVQGL-UHFFFAOYSA-N;134.14;0.7;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_P2";;;;;;;0.54;;-1.09;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM407345;MM407345;CCC1=CC=C(NC=O)C1;LVXVARWQHATWPT-UHFFFAOYSA-N;137.18;1.36;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC3_SNda";;;;;;;2.57;;0.44;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM407346;MM407346;CC=C(CN)CC1NC1C;BHMPLLVTHUUSSR-UHFFFAOYSA-N;140.23;0.64;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_SP1";;;;;;;0.04;;-4.88;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM407347;MM407347;C#CC(C=O)C(C)CNC;QRGOYUKTRISTHT-UHFFFAOYSA-N;139.2;0.29;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_P2";;;;;;;-0.24;;-6.09;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM407348;MM407348;C#CC=NOC(C#N)C#N;KACVJZHXSOOKBG-UHFFFAOYSA-N;133.11;0.04;;;;;DOPC;MDCG;27;0;"MARTINI bead: N0_P1";;;;;;;0.34;;-1.53;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM407349;MM407349;N=CNC1=CC=C(CN)C1;ZDYITTFBBQRHBG-UHFFFAOYSA-N;137.19;0.36;;;;;DOPC;MDCG;27;1;"MARTINI bead: SNd_SNd";;;;;;;0.87;;-5.66;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM407350;MM407350;CC1NC1CC(=CF)CN;AXPYYDGAYCUXAR-UHFFFAOYSA-N;144.19;0.55;;;;;DOPC;MDCG;27;1;"MARTINI bead: SP1_P1";;;;;;;-0.79;;-5.31;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM407351;MM407351;C#CC(C=O)C(C)COC;GUVPGCUKBVZENS-UHFFFAOYSA-N;140.18;0.72;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_Na";;;;;;;0.87;;-2.22;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM407352;MM407352;C#CC=CCN(C=N)C=N;MESJRVJKKMNXGQ-UHFFFAOYSA-N;135.17;0.69;;;;;DOPC;MDCG;27;1;"MARTINI bead: C4_P4";;;;;;;0.15;;-3.69;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM407353;MM407353;NCC1=CC=C(NC=O)C1;IBIXGRQUEJNIDT-UHFFFAOYSA-N;138.17;-0.09;;;;;DOPC;MDCG;27;1;"MARTINI bead: SNd_SNda";;;;;;;0.87;;-3.84;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM407354;MM407354;CC1NC1CC(CN)=NO;HZHULUOCTJXLFM-UHFFFAOYSA-N;143.19;-0.47;;;;;DOPC;MDCG;27;1;"MARTINI bead: SP1_P2";;;;;;;-1.06;;-6.47;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM407355;MM407355;C#CC(C#N)C(C)COC;CSCNEFUSZMDLHX-UHFFFAOYSA-N;137.18;1.04;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_C5";;;;;;;0.81;;-0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM407356;MM407356;C#CC=CCN(C=O)C=O;LZTINOORAUCKOM-UHFFFAOYSA-N;137.14;-0.21;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_N0";;;;;;;0.06;;-2.21;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM407357;MM407357;N=CNC1=CC=C(CO)C1;KTGJASHKGUYCDW-UHFFFAOYSA-N;138.17;0.39;;;;;DOPC;MDCG;27;1;"MARTINI bead: SNda_SNd";;;;;;;0.87;;-5.45;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM407358;MM407358;CN=C(CC1NC1C)NC;VOOGEDCKIRLOPV-UHFFFAOYSA-N;141.22;-0.02;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_SP1";;;;;;;0.04;;-7;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM407359;MM407359;C#CC(C=C)C(N)COC;AEUBJHVCSLZZOU-UHFFFAOYSA-N;139.2;0.4;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1_Nd";;;;;;;0.04;;-4.61;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM407360;MM407360;C#CC(C=C)CC=CCC;JITFYMFZLGFYAP-UHFFFAOYSA-N;134.22;2.78;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1_C5";;;;;;;3.68;;0.46;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM407361;MM407361;O=CNC1=CC=C(CO)C1;JWQYHTUNNXDTLW-UHFFFAOYSA-N;139.15;-0.06;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNda_SNda";;;;;;;0.87;;-2.07;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM407362;MM407362;CN=C(CC1NC1C)NN;SBDQHQVZWGDOIN-UHFFFAOYSA-N;142.21;-0.77;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_SP1";;;;;;;0.04;;-5.35;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM407363;MM407363;C#CC(C=C)C(C)OCC;JQVNWHDMCHJZNX-UHFFFAOYSA-N;138.21;1.85;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_C5";;;;;;;2.41;;0.64;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM407364;MM407364;C#CC(C=C)CC=CCN;GYPLVFACGPJZET-UHFFFAOYSA-N;135.21;1.33;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_C5";;;;;;;1.64;;-2.14;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM407365;MM407365;N=CNC1=CC=C(CF)C1;IZRYRJSMAJKVSJ-UHFFFAOYSA-N;140.16;1.37;;;;;DOPC;MDCG;27;1;"MARTINI bead: SC5_SNd";;;;;;;1.64;;-3.43;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM407366;MM407366;CN=C(CC1NC1C)NO;ZISOAQLKESECRT-UHFFFAOYSA-N;143.19;-0.26;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nda_SP1";;;;;;;0.04;;-4.23;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM407367;MM407367;C#CC(C=C)N(C)CCC;IKSFYKCHIOYUQU-UHFFFAOYSA-N;137.23;1.52;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_C5";;;;;;;1.64;;-1.08;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM407368;MM407368;C#CC(C=C)CC=CCO;TUDYXXYDPXLWMG-UHFFFAOYSA-N;136.19;1.36;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda_C5";;;;;;;1.64;;0.05;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM407369;MM407369;O=CNC1=CC=C(CF)C1;UMEWIPBBKNYECV-UHFFFAOYSA-N;141.15;0.92;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC5_SNda";;;;;;;1.64;;0.05;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM407370;MM407370;CC=C(CC)CC1OC1C;OPOUTDVVENEYCF-UHFFFAOYSA-N;140.23;2.52;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1_SNa";;;;;;;2.91;;0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM407371;MM407371;C#CC(C=C)N(C)CCN;SVVWVFFINNXVJZ-UHFFFAOYSA-N;138.21;0.06;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_P2";;;;;;;-0.24;;-5.13;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM407372;MM407372;C#CC(C=C)CC=CCF;DJSWXTHPTBKSET-UHFFFAOYSA-N;138.19;2.34;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_C4";;;;;;;2.2;;0.34;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM407373;MM407373;CCC(=CF)CC1OC1C;ZHYILMAXECHOFB-UHFFFAOYSA-N;144.19;2.43;;;;;DOPC;MDCG;27;0;"MARTINI bead: C2_SNa";;;;;;;2.83;;0.35;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM407374;MM407374;COC1=CC=C(NC=N)C1;QVUOUNDHBLVIKP-UHFFFAOYSA-N;138.17;1;;;;;DOPC;MDCG;27;1;"MARTINI bead: SC5_SNd";;;;;;;1.64;;-3.33;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM407375;MM407375;CCNN=COC(C)=CF;UOMUAUDODBNYGM-UHFFFAOYSA-N;146.17;1.39;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_C4";;;;;;;1.09;;-0.38;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM407376;MM407376;C#CC(C=O)CC=CCC;ARBLVQPYLIEMHQ-UHFFFAOYSA-N;136.19;1.79;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1_Na";;;;;;;2.91;;0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM407377;MM407377;C=COC1=CC=C(CC)C1;AWCFFEJTFRAOQX-UHFFFAOYSA-N;136.19;2.77;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC3_SC5";;;;;;;3.34;;0.48;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM407378;MM407378;CC=C(CN)CC1OC1C;VEGBHFARFHRTNN-UHFFFAOYSA-N;141.21;1.07;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_SNa";;;;;;;0.87;;-4.13;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM407379;MM407379;C#CC(C=C)C(C)CC=C;GYSQOWRLGNWOCB-UHFFFAOYSA-N;134.22;2.63;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1_C5";;;;;;;3.68;;0.46;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM407380;MM407380;C#CC(C#N)CC=CCC;KULFFBKRFPJZLQ-UHFFFAOYSA-N;133.19;2.12;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1_N0";;;;;;;3.21;;0.46;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM407381;MM407381;C=COC1=CC=C(CN)C1;JHBASYNWAPFIMV-UHFFFAOYSA-N;137.18;1.32;;;;;DOPC;MDCG;27;1;"MARTINI bead: SNd_SC5";;;;;;;1.64;;-2.12;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM407382;MM407382;CC1OC1CC(=CF)CN;DAHLZEJJDVIHNX-UHFFFAOYSA-N;145.18;0.98;;;;;DOPC;MDCG;27;1;"MARTINI bead: SNa_P1";;;;;;;0.04;;-4.7;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM407383;MM407383;C#CC(C=C)C(C)CC=O;WZGOFDZCMMVPKP-UHFFFAOYSA-N;136.19;1.65;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_C5";;;;;;;2.41;;0.64;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM407384;MM407384;C#CC(C=O)CC=CCF;XNDWKULNPDARDW-UHFFFAOYSA-N;140.16;1.35;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_Na";;;;;;;0.87;;-2.22;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM407385;MM407385;CC=C(CO)CC1OC1C;OCKFBHWCZAKMHU-UHFFFAOYSA-N;142.2;1.1;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_SNa";;;;;;;1.64;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM407386;MM407386;C=COC1=CC=C(CO)C1;VSRZPTASOJHSNF-UHFFFAOYSA-N;138.17;1.35;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNda_SC5";;;;;;;1.64;;0.05;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM407387;MM407387;C#CC(C=O)C(C)CC=C;RFSJFGUTHOLDHM-UHFFFAOYSA-N;136.19;1.65;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4_Na";;;;;;;2.2;;0.34;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM407388;MM407388;C#CC(C#N)CC=CCF;MGBBHNQBSPUZDS-UHFFFAOYSA-N;137.16;1.68;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_N0";;;;;;;1.17;;-1.18;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM407389;MM407389;C=COC1=CC=C(CF)C1;WOFYJCXXLZIMJM-UHFFFAOYSA-N;140.16;2.33;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC5_SC5";;;;;;;2.41;;0.64;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM407390;MM407390;CC1OC1CC(=CF)CO;FMMYYYNGBQSUMW-UHFFFAOYSA-N;146.16;1.01;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNa_Nda";;;;;;;0.87;;-1.99;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM407391;MM407391;C#CC(C=O)C(C)CC=O;VSAKYWOTSKGKCF-UHFFFAOYSA-N;138.17;0.66;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_Na";;;;;;;0.87;;-2.22;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM407392;MM407392;C#CC(C=O)CC=COC;ZSQHGHPTKGCMLZ-UHFFFAOYSA-N;138.17;0.98;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_Na";;;;;;;0.87;;-2.22;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM407393;MM407393;C#Cc1[nH]c(N=O)cc1C;JNKUHOSGLOWJRP-UHFFFAOYSA-N;134.14;1.7;;;;;DOPC;MDCG;27;0;"MARTINI bead: SN0_SNd";;;;;;;1.17;;-1.04;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM407394;MM407394;CC=C(CF)CC1OC1C;UHSZNCWZKNTDND-UHFFFAOYSA-N;144.19;2.08;;;;;DOPC;MDCG;27;0;"MARTINI bead: C3_SNa";;;;;;;2.57;;0.45;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM407395;MM407395;C=COC1=CC=C(OC)C1;ZJVJOSGIXQUKIF-UHFFFAOYSA-N;138.17;1.96;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC5_SC5";;;;;;;2.41;;0.64;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM407396;MM407396;C#CC(C=C)C(N)CC=C;YGJCSROFKIVNOK-UHFFFAOYSA-N;135.21;1.33;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_C5";;;;;;;1.64;;-2.55;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM407397;MM407397;C#CC(C=C)CC=NNC;IBEWVCNERUWUDA-UHFFFAOYSA-N;136.2;1.02;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_C4";;;;;;;1.09;;-0.38;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM407398;MM407398;CC1CC1C1(O)CC1C;JJRMZILJKDUXSB-UHFFFAOYSA-N;126.2;1.41;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC5_SNda";;;;;;;1.64;;0.05;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM407399;MM407399;C=CCC1=NN=C(CC)C1;WMBMLEJPEJGGJB-UHFFFAOYSA-N;136.2;2.17;;;;;DOPC;MDCG;27;0;"MARTINI bead: SN0_SN0";;;;;;;1.47;;-0.05;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM407400;MM407400;CC1OC1CC(=CF)CF;ADUQRDHQIKZUSM-UHFFFAOYSA-N;148.15;1.99;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNa_C5";;;;;;;1.64;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM407401;MM407401;C#CC(C=C)C(O)CC#N;UWTQZOUOMBQHKO-UHFFFAOYSA-N;135.17;0.7;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_C5";;;;;;;0.54;;-1.09;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM407402;MM407402;C#CC(C=C)CC=NOC;KGTJPWDQYAMOGP-UHFFFAOYSA-N;137.18;1.44;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_C5";;;;;;;1.64;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM407403;MM407403;C=CC(C)C1NC1C=O;HHWQSFUFVNNQJG-UHFFFAOYSA-N;125.17;0.35;;;;;DOPC;MDCG;27;0;"MARTINI bead: C3_SP2";;;;;;;1.46;;-0.15;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM407404;MM407404;CCC(CC1OC1C)=NN;KTOVTFJXHXSCQO-UHFFFAOYSA-N;142.2;0.89;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_SNa";;;;;;;1.64;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM407405;MM407405;CCC1=NN=C(CC#N)C1;BAZSVVQVEPDHSU-UHFFFAOYSA-N;135.17;1.51;;;;;DOPC;MDCG;27;0;"MARTINI bead: SN0_SN0";;;;;;;1.47;;-0.05;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM407406;MM407406;C#CC(C=O)C(O)CC=O;HVGVTUNUGSALMY-UHFFFAOYSA-N;140.14;-0.62;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_Na";;;;;;;-0.24;;-3.24;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM407407;MM407407;CCC1=C(C)CC(CC)C1;QDEHKWPBSRORLV-UHFFFAOYSA-N;138.25;3.53;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC2_SC1";;;;;;;4.87;;0.53;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM407408;MM407408;C#CC(C#N)CC=NOC;AKJMNLVSOLXZCG-UHFFFAOYSA-N;136.15;0.78;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_N0";;;;;;;0.34;;-1.53;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM407409;MM407409;CCC(CC1OC1C)=NO;SCLXHKBJBZHRRL-UHFFFAOYSA-N;143.19;1.4;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda_SNa";;;;;;;0.87;;-1.99;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM407410;MM407410;C=CCC1=NN=C(CO)C1;LOVBAIYKKGWRKP-UHFFFAOYSA-N;138.17;0.76;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNda_SN0";;;;;;;1.17;;-1.13;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM407411;MM407411;C#CC(C=O)C(O)CC#N;IYQOFOGEEXBLPY-UHFFFAOYSA-N;137.14;-0.29;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_Na";;;;;;;-0.24;;-3.24;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM407412;MM407412;CCC1=C(C)CC(CN)C1;DRZKLZWXKMGTHY-UHFFFAOYSA-N;139.24;2.08;;;;;DOPC;MDCG;27;1;"MARTINI bead: SC1_SNd";;;;;;;2.91;;-0.55;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM407413;MM407413;C#CC(C=C)NC=NCC;WAURALAEFOBUFT-UHFFFAOYSA-N;136.2;0.81;;;;;DOPC;MDCG;27;1;"MARTINI bead: C5_P1";;;;;;;0.81;;-1.7;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM407414;MM407414;C=NNC(C)(C)C(=C)C#N;VZYGPMKLLYRFMT-UHFFFAOYSA-N;137.19;1.05;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nd_N0";;;;;;;1.17;;-1.04;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM407415;MM407415;N#CCC1=NN=C(CO)C1;HMNICJCNLYHTPA-UHFFFAOYSA-N;137.14;0.09;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNda_SN0";;;;;;;1.17;;-1.13;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM407416;MM407416;C#CC(C#N)C(O)CC#N;RSQYJBTZGCNMEJ-UHFFFAOYSA-N;134.14;0.03;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_N0";;;;;;;0.06;;-2.21;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM407417;MM407417;CCC(O)C1C(C)C1C;DUHOUNVJQNQUGH-UHFFFAOYSA-N;128.22;1.66;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda_SC5";;;;;;;1.64;;0.05;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM407418;MM407418;C#CC(C=C)NC=NOC;DZHBVCTVLDSRMK-UHFFFAOYSA-N;138.17;0.35;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_C5";;;;;;;0.54;;-1.09;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM407419;MM407419;CC1OC1CC(CF)=NN;RKFLNACDBAXOJK-UHFFFAOYSA-N;146.17;0.45;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNa_Nda";;;;;;;0.87;;-1.99;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM407420;MM407420;C=CCC1=NN=C(CF)C1;NVJUKNUANASGQO-UHFFFAOYSA-N;140.16;1.73;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNa_SN0";;;;;;;1.17;;-1.18;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM407421;MM407421;C#CC(C#N)C(F)CC=O;RZXFLZPNBCHSGN-UHFFFAOYSA-N;139.13;0.69;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_N0";;;;;;;0.34;;-1.53;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM407422;MM407422;C=CC1=C(C)CC(CN)C1;YXDDERTUKDJVBN-UHFFFAOYSA-N;137.23;1.86;;;;;DOPC;MDCG;27;1;"MARTINI bead: SC3_SNd";;;;;;;2.57;;-1.51;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM407423;MM407423;CC=NN=CNC=CF;UVZZYZORPGOONW-UHFFFAOYSA-N;129.14;1.05;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_Nda";;;;;;;1.64;;0.05;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM407424;MM407424;CN=C(CC1OC1C)NC;JNENCSMYTSSFSP-UHFFFAOYSA-N;142.2;0.41;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_SNa";;;;;;;0.87;;-6.02;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM407425;MM407425;N#CCC1=NN=C(CF)C1;ATGKOWBWLULPGP-UHFFFAOYSA-N;139.13;1.07;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNa_SN0";;;;;;;1.17;;-1.18;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM407426;MM407426;C#CC(C=C)C(C)NC=N;GXTOFZIWKJMFAD-UHFFFAOYSA-N;136.2;1.01;;;;;DOPC;MDCG;27;1;"MARTINI bead: P2_C5";;;;;;;0.54;;-4.93;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM407427;MM407427;C=CC1=C(C)CC(C=C)C1;ZDRGGUQUXSZXTC-UHFFFAOYSA-N;134.22;3.08;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC3_SC3";;;;;;;4.27;;0.2;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM407428;MM407428;C=C(C#CC)CC(C)(C)O;LKTWXBHWNSXDDH-UHFFFAOYSA-N;138.21;1.73;;;;;DOPC;MDCG;27;0;"MARTINI bead: C3_Nda";;;;;;;2.57;;0.44;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM407429;MM407429;CN=C(CC1OC1C)NN;HJOKYQQDHIBQGF-UHFFFAOYSA-N;143.19;-0.34;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_SNa";;;;;;;0.87;;-4.32;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM407430;MM407430;C#CC(C=C)C(C)NN=C;NFXMDALXTXAFGI-UHFFFAOYSA-N;136.2;1.02;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nd_C5";;;;;;;1.64;;0.02;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM407431;MM407431;C=CCC1=NN=C(OC)C1;WEQOBUSHFJJVCQ-UHFFFAOYSA-N;138.17;1.37;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNa_SN0";;;;;;;1.17;;-1.18;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM407432;MM407432;C=CC1=C(C)CC(C#N)C1;PPOISTRZOPVJFB-UHFFFAOYSA-N;133.19;2.42;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC3_SN0";;;;;;;2.87;;0.37;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM407433;MM407433;CCC(C)CCC(C)(C)O;LVIFBEPHIBJBEU-UHFFFAOYSA-N;144.26;2.58;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1_Nda";;;;;;;2.91;;0.57;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM407434;MM407434;CN=C(CC1OC1C)NO;GXYBHGXSHXWDET-UHFFFAOYSA-N;144.17;0.17;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nda_SNa";;;;;;;0.87;;-3.21;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM407435;MM407435;C#CC(C=C)C(C)OC=C;RUTZYJNPDOQGMX-UHFFFAOYSA-N;136.19;1.97;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_C5";;;;;;;2.41;;0.64;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM407436;MM407436;COC1=NN=C(CC#N)C1;PFXLRCAMGXZKNG-UHFFFAOYSA-N;137.14;0.7;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNa_SN0";;;;;;;1.17;;-1.18;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM407437;MM407437;C=CC1=C(C)CN(C=N)C1;OHPVVVFMNZDZKJ-UHFFFAOYSA-N;136.2;1.41;;;;;DOPC;MDCG;27;1;"MARTINI bead: SN0_SP1";;;;;;;0.34;;-4.62;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM407438;MM407438;CC(CF)CCC(C)(C)O;PUAWVFIRCSMVQU-UHFFFAOYSA-N;148.22;2.14;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4_Nda";;;;;;;2.2;;0.49;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM407439;MM407439;C#CC=C1CCC(C)(O)C1;KURSUTIDSQBWTD-UHFFFAOYSA-N;136.19;1.48;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNda_SC4";;;;;;;2.2;;0.49;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM407440;MM407440;CC(=NN)ON(C)C=O;NGQZVHUVBQJRNR-UHFFFAOYSA-N;131.14;-0.7;;;;;DOPC;MDCG;27;0;"MARTINI bead: P3_Nd";;;;;;;-1.1;;-3.93;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM407441;MM407441;C#CC(C=C)C(C)OC=O;GCXLZYYCBXCYNT-UHFFFAOYSA-N;138.17;0.98;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_C5";;;;;;;1.64;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM407442;MM407442;C=CC1=C(C)CN(C=O)C1;UZLUHYUPIMBXMC-UHFFFAOYSA-N;137.18;0.96;;;;;DOPC;MDCG;27;0;"MARTINI bead: SN0_SP1";;;;;;;0.34;;-1.53;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM407443;MM407443;C#CC(C=C)OC=CCC;GKHNPTKSUPSSEI-UHFFFAOYSA-N;136.19;2.11;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_C5";;;;;;;2.41;;0.64;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM407444;MM407444;CC=C(CC1OC1C)OC;XIQIDYNODZLSBB-UHFFFAOYSA-N;142.2;1.71;;;;;DOPC;MDCG;27;0;"MARTINI bead: C3_SNa";;;;;;;2.57;;0.45;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM407445;MM407445;C=CC(=NN)OC(=C)C;FAHFKAXAWZSSLQ-UHFFFAOYSA-N;126.16;0.99;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4_Nda";;;;;;;2.2;;0.49;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM407446;MM407446;C#CC(C#N)C(C)OC=C;IOQQADFMSMVVCF-UHFFFAOYSA-N;135.17;1.31;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_N0";;;;;;;1.94;;0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM407447;MM407447;C=CC1=C(C)CN(N=C)C1;RYMQSFMPHQLLOS-UHFFFAOYSA-N;136.2;1.42;;;;;DOPC;MDCG;27;0;"MARTINI bead: SN0_SP1";;;;;;;0.34;;-1.53;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM407448;MM407448;C#CC(C=C)OC=CCN;RMHXMRMQIGLESQ-UHFFFAOYSA-N;137.18;0.66;;;;;DOPC;MDCG;27;1;"MARTINI bead: P2_C5";;;;;;;0.54;;-3.25;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM407449;MM407449;C=CCC1=CCC(C)(O)C1;BHEXBMUVUSZOGR-UHFFFAOYSA-N;138.21;2.03;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNda_SC3";;;;;;;2.57;;0.44;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM407450;MM407450;C=CNC1=NN=C(CF)C1;HBOUJKLXZXWBEZ-UHFFFAOYSA-N;141.15;0.85;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNa_SNd";;;;;;;0.87;;-1.88;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM407451;MM407451;C#CC(C=C)C(C)ON=C;ABEUCOPTSXCJSF-UHFFFAOYSA-N;137.18;1.44;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_C5";;;;;;;1.64;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM407452;MM407452;C#CC1CC(C)=C(C=C)C1;HWIXKPWYNMUWIS-UHFFFAOYSA-N;132.21;2.53;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC3_SC5";;;;;;;3.34;;0.48;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM407453;MM407453;C#CC(C=O)OC=CCC;VIHFBDVRJGXQKO-UHFFFAOYSA-N;138.17;1.13;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_Na";;;;;;;1.64;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM407454;MM407454;COC(CC1OC1C)=NO;UQMBRPMGNIUFEN-UHFFFAOYSA-N;145.16;0.6;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda_SNa";;;;;;;0.87;;-1.99;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM407455;MM407455;C=CC(=NN)OC(C)=O;BQFLKHNVULDFRJ-UHFFFAOYSA-N;128.13;0.01;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_Nda";;;;;;;0.87;;-1.99;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM407456;MM407456;CC=CCC1CC1(O)CC;WSUWGONQCXBALP-UHFFFAOYSA-N;140.23;2.11;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNda_C2";;;;;;;2.83;;0.57;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM407457;MM407457;C#CC1=C(C)CC(CC)C1;CNGSOPPKQHTNGA-UHFFFAOYSA-N;134.22;2.76;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC2_SC5";;;;;;;3.6;;0.34;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM407458;MM407458;C#CC(C#N)OC=CCC;RNMNEZNUAABSBN-UHFFFAOYSA-N;135.17;1.45;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_N0";;;;;;;1.94;;0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM407459;MM407459;CCC(=CF)CC1CN1C;UQPZOSAOGJPCLX-UHFFFAOYSA-N;143.21;1.95;;;;;DOPC;MDCG;27;0;"MARTINI bead: C2_SP1";;;;;;;2;;0.37;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM407460;MM407460;C=COC1=NN=C(CC)C1;HZPZSHXQWLNFBK-UHFFFAOYSA-N;138.17;1.71;;;;;DOPC;MDCG;27;0;"MARTINI bead: SN0_SNa";;;;;;;1.17;;-1.18;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM407461;MM407461;C#CC(C=C)N(C)NC=O;LQSSCEBLZRULGG-UHFFFAOYSA-N;138.17;-0.23;;;;;DOPC;MDCG;27;0;"MARTINI bead: P4_C5";;;;;;;-0.41;;-2.78;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM407462;MM407462;C#CC(C=O)OC=CCO;CICOVAGFXYARPO-UHFFFAOYSA-N;140.14;-0.29;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_Na";;;;;;;-0.24;;-3.24;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM407463;MM407463;C#CC1=C(C)CC(CN)C1;SLRZZZCZIDEQHF-UHFFFAOYSA-N;135.21;1.3;;;;;DOPC;MDCG;27;1;"MARTINI bead: SC5_SNd";;;;;;;1.64;;-2.69;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM407464;MM407464;CC=C(CN)CC1CN1C;FXRZRQCPUOJYPG-UHFFFAOYSA-N;140.23;0.6;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_SP1";;;;;;;0.04;;-4.87;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM407465;MM407465;C=CCc1ccc(CC)[nH]1;YWVGCORZAGEDAC-UHFFFAOYSA-N;135.21;2.31;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC5_SC5";;;;;;;2.41;;0.64;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM407466;MM407466;C#Cc1ccn(CC)c1N;GAPPPJOZQCORIQ-UHFFFAOYSA-N;134.18;1.07;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNd_SN0";;;;;;;1.17;;-1.04;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM407467;MM407467;C#CC(C=O)N(C)N=CN;LGOWJXIMSUANKE-UHFFFAOYSA-N;139.16;-0.98;;;;;DOPC;MDCG;27;1;"MARTINI bead: P3_Na";;;;;;;-1.1;;-5.43;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM407468;MM407468;C#CC(C#N)OC=CCO;ZTVPNXOSZRDBKN-UHFFFAOYSA-N;137.14;0.03;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_N0";;;;;;;0.06;;-2.21;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM407469;MM407469;CCC1CC1(O)C1CC1;ADBDJMFNUBMUFZ-UHFFFAOYSA-N;126.2;1.56;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNda_SC5";;;;;;;1.64;;0.05;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM407470;MM407470;CN1CC1CC(=CF)CN;IHYKYUBRJWFZGJ-UHFFFAOYSA-N;144.19;0.5;;;;;DOPC;MDCG;27;1;"MARTINI bead: SP1_P1";;;;;;;-0.79;;-5.3;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM407471;MM407471;CCc1ccc(CC#N)[nH]1;NSTGYWOFTZPIMI-UHFFFAOYSA-N;134.18;1.64;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC5_SNd";;;;;;;1.64;;0.02;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM407472;MM407472;C#Cc1ccn(CC)c1O;AUXMEZJBWYJDJZ-UHFFFAOYSA-N;135.17;1.19;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC5_SN0";;;;;;;1.94;;0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM407473;MM407473;C#CC(C=O)N(C)NC=O;MEYIPEYCFXJMPL-UHFFFAOYSA-N;140.14;-1.22;;;;;DOPC;MDCG;27;0;"MARTINI bead: P4_Na";;;;;;;-1.19;;-4.76;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM407474;MM407474;C#CC(C=O)OC=CCF;SQLQJAZRCUAYED-UHFFFAOYSA-N;142.13;0.69;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_Na";;;;;;;0.87;;-2.22;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM407475;MM407475;C#CC1=C(C)CC(NC)C1;FVEVAGHBCAFOJP-UHFFFAOYSA-N;135.21;1.32;;;;;DOPC;MDCG;27;1;"MARTINI bead: SNd_SC5";;;;;;;1.64;;-2.78;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM407476;MM407476;C=CC1CC(C)(C(C)O)C1;WDILWBNKUBHGKU-UHFFFAOYSA-N;140.23;1.97;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNda_SC4";;;;;;;2.2;;0.49;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM407477;MM407477;C=CCc1ccc(CN)[nH]1;BYCVUEBFKMEUKB-UHFFFAOYSA-N;136.2;1.2;;;;;DOPC;MDCG;27;1;"MARTINI bead: SP1_SC5";;;;;;;0.81;;-1.92;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM407478;MM407478;C#Cc1ccn(CC)c1F;AWZXOPZFASWIGK-UHFFFAOYSA-N;137.16;1.63;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC5_SN0";;;;;;;1.94;;0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM407479;MM407479;C#CC(C#N)N(C)NC=O;XXYHAAFJWLOJEX-UHFFFAOYSA-N;137.14;-0.9;;;;;DOPC;MDCG;27;0;"MARTINI bead: P4_N0";;;;;;;-0.88;;-3.74;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM407480;MM407480;C#CC1=C(C)CC(OC)C1;OVYGBNCOFFHGNR-UHFFFAOYSA-N;136.19;1.74;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC5_SC5";;;;;;;2.41;;0.64;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM407481;MM407481;C#CC(C=C)OC=COC;BBYJBOZVRDWCEH-UHFFFAOYSA-N;138.17;1.31;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_C5";;;;;;;0.81;;-0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM407482;MM407482;CC=C(CF)CC1CN1C;VCBFRYROLGQHOH-UHFFFAOYSA-N;143.21;1.61;;;;;DOPC;MDCG;27;0;"MARTINI bead: C3_SP1";;;;;;;1.74;;0.33;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM407483;MM407483;C=CCc1ccc(CO)[nH]1;ACDAMYSIUKTUEC-UHFFFAOYSA-N;137.18;1.24;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNda_SC5";;;;;;;1.64;;0.05;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM407484;MM407484;C#Cc1ccn(NC)c1C;MQXJUFRVTZTSSR-UHFFFAOYSA-N;134.18;0.95;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNd_SN0";;;;;;;1.17;;-1.04;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM407485;MM407485;CCC1(O)CC1CC=CF;OBUICIRUCJFYGY-UHFFFAOYSA-N;144.19;2.02;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNda_C4";;;;;;;2.2;;0.49;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM407486;MM407486;C#CC1=C(C)CN(CC)C1;KVOVRHZZDSZTLU-UHFFFAOYSA-N;135.21;1.27;;;;;DOPC;MDCG;27;1;"MARTINI bead: SNd_SP1";;;;;;;0.04;;-4.26;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM407487;MM407487;CCC(CC1CN1C)=NN;HMNZDYWOBOQFSE-UHFFFAOYSA-N;141.22;0.42;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_SP1";;;;;;;0.81;;-0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM407488;MM407488;N#CCc1ccc(CO)[nH]1;CPJYHECXRKIWFP-UHFFFAOYSA-N;136.15;0.57;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNda_SNd";;;;;;;0.87;;-1.92;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM407489;MM407489;C#CC(C#N)OC=COC;FYFUSPWJEJLGKH-UHFFFAOYSA-N;137.14;0.65;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_N0";;;;;;;0.34;;-1.53;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM407490;MM407490;C#CCC(O)C(C#C)C#N;MRJCTGTYOUTSOT-UHFFFAOYSA-N;133.15;0.14;;;;;DOPC;MDCG;27;0;"MARTINI bead: N0_P1";;;;;;;0.34;;-1.53;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM407491;MM407491;C#Cc1ccn(NC)c1N;DBKNQQXTQNTASK-UHFFFAOYSA-N;135.17;0.22;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP1_SN0";;;;;;;0.34;;-1.53;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM407492;MM407492;C#CC1=C(C)CC(C=C)C1;WHGXWRRXJDXNPH-UHFFFAOYSA-N;132.21;2.53;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC5_SC3";;;;;;;3.34;;0.48;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM407493;MM407493;C=C(CC)CC(O)CCC;BUESRPFZHDBJAL-UHFFFAOYSA-N;142.24;2.5;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda_C1";;;;;;;2.91;;0.57;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM407494;MM407494;C#CC(C#N)OC=NNC;PZLOUDVQKZHONQ-UHFFFAOYSA-N;137.14;-0.31;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_N0";;;;;;;0.06;;-2.21;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM407495;MM407495;C=CCc1ccc(CF)[nH]1;PCXHLTZJDMJWLT-UHFFFAOYSA-N;139.17;2.21;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNda_SC5";;;;;;;1.64;;0.05;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM407496;MM407496;C#CCC(F)C(C#C)C#N;AAEXVBXMSKEDSH-UHFFFAOYSA-N;135.14;1.12;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_N0";;;;;;;1.17;;-1.18;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM407497;MM407497;C#CC1=C(C)CC(C=O)C1;VSUNAZYYLORDSX-UHFFFAOYSA-N;134.18;1.55;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC5_SNa";;;;;;;1.64;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM407498;MM407498;C#Cc1ccn(NC)c1O;KTFNJDIIWHQPOD-UHFFFAOYSA-N;136.15;0.35;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP1_SN0";;;;;;;0.34;;-1.53;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM407499;MM407499;CN(C=O)CC(=O)C=CF;DJYIXQNIYCTPPT-UHFFFAOYSA-N;145.13;0.13;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_Na";;;;;;;-0.24;;-3.24;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM407500;MM407500;C#CC(C=C)ON=CCC;HDNVVNVSXSHGIS-UHFFFAOYSA-N;137.18;1.59;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_C5";;;;;;;1.64;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM407501;MM407501;N#CCc1ccc(CF)[nH]1;AAVMXPGEDRTIFS-UHFFFAOYSA-N;138.15;1.55;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNda_SN0";;;;;;;1.17;;-1.13;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM407502;MM407502;C#Cc1ccn(NC)c1F;WCEFYYHZSWQFML-UHFFFAOYSA-N;138.15;0.78;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNda_SN0";;;;;;;1.17;;-1.13;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM407503;MM407503;C#CC(C#C)C(C)CCC;XHNHWHZVVXUQCR-UHFFFAOYSA-N;134.22;2.31;;;;;DOPC;MDCG;27;0;"MARTINI bead: C3_C4";;;;;;;3.9;;0.47;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM407504;MM407504;C#CC1=C(C)CC(C#N)C1;YBXKEKMISIMHJF-UHFFFAOYSA-N;131.18;1.87;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC5_SN0";;;;;;;1.94;;0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM407505;MM407505;CN=C(CC1CN1C)NC;UHYVAXYONUHYQH-UHFFFAOYSA-N;141.22;-0.06;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_SP1";;;;;;;0.04;;-7.01;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM407506;MM407506;CCC(C)(C)C1CC1(C)O;ZKGROCVJNVCTKL-UHFFFAOYSA-N;142.24;2.19;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1_SNda";;;;;;;2.91;;0.57;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM407507;MM407507;COC(C=C(F)F)=NN;DESODBUXIRDXGL-UHFFFAOYSA-N;136.1;0.69;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda_N0";;;;;;;1.17;;-1.13;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM407508;MM407508;C#Cc1ccn(OC)c1C;BDUBPVUMWYPGNY-UHFFFAOYSA-N;135.17;0.84;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNa_SN0";;;;;;;1.17;;-1.18;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM407509;MM407509;C#CC(C#C)C(C)CCN;ASFXLIYFTWFSGF-UHFFFAOYSA-N;135.21;0.85;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1_C4";;;;;;;1.37;;-2.72;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM407510;MM407510;C#CC1=C(C)CN(C=N)C1;VLTCGNMBZKSMOV-UHFFFAOYSA-N;134.18;0.86;;;;;DOPC;MDCG;27;1;"MARTINI bead: SP1_SP1";;;;;;;-0.79;;-6.02;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM407511;MM407511;CC=C(C)CC(O)CCC;RNBWTHMXGOTPOL-UHFFFAOYSA-N;142.24;2.5;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda_C1";;;;;;;2.91;;0.57;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM407512;MM407512;C=CC1(C)C=CC(C)(O)C1;MQPKFKGURBJFTI-UHFFFAOYSA-N;138.21;1.89;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNda_SC2";;;;;;;2.83;;0.57;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM407513;MM407513;C=C(C)CCOC=NN;OTFNWOZAYLNCNP-UHFFFAOYSA-N;128.18;0.87;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4_P1";;;;;;;1.37;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM407514;MM407514;C#Cc1ccn(OC)c1O;DCCFELIKNHSAOK-UHFFFAOYSA-N;137.14;0.23;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNda_SN0";;;;;;;1.17;;-1.13;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM407515;MM407515;C#CC(C#C)C(N)CCC;RGLRNKBTVBFSIJ-UHFFFAOYSA-N;135.21;1;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_N0";;;;;;;1.17;;-3.4;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM407516;MM407516;C=CC(=O)N(C)CC(C)=O;CETOKOXCJGLTBB-UHFFFAOYSA-N;141.17;0.22;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_Na";;;;;;;-0.24;;-3.24;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM407517;MM407517;C#CC1=C(C)CN(C=O)C1;RXPGPYLWCCHXFO-UHFFFAOYSA-N;135.17;0.41;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP1_SP1";;;;;;;-0.79;;-3.13;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM407518;MM407518;C=C1C=C(CC)CC1(C)O;QRXDGHSIOUCLPG-UHFFFAOYSA-N;138.21;2.03;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC2_SNda";;;;;;;2.83;;0.57;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM407519;MM407519;C=CCc1ccc(OC)[nH]1;MWODAAUYTVLHKY-UHFFFAOYSA-N;137.18;1.75;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNa_SC5";;;;;;;1.64;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM407520;MM407520;C#Cc1ncn(CC)c1C;VAFBMRUJPBDIQU-UHFFFAOYSA-N;134.18;1.19;;;;;DOPC;MDCG;27;0;"MARTINI bead: SN0_SNa";;;;;;;1.17;;-1.18;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM407521;MM407521;CC=C(CC1CN1C)OC;IXBNURXJQJQBPM-UHFFFAOYSA-N;141.21;1.24;;;;;DOPC;MDCG;27;0;"MARTINI bead: C3_SP1";;;;;;;1.74;;0.33;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM407522;MM407522;C#CC(C#C)C(N)CCF;MEBLELQMGGDUAG-UHFFFAOYSA-N;139.17;0.56;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1_N0";;;;;;;0.34;;-3.82;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM407523;MM407523;C#CC1=C(C)CN(N=C)C1;RPXNYZFBAMEFBV-UHFFFAOYSA-N;134.18;0.87;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP1_SP1";;;;;;;-0.79;;-3.13;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM407524;MM407524;CCCN(C)N=CC(C)=O;KMZWSFROALNAPZ-UHFFFAOYSA-N;142.2;0.9;;;;;DOPC;MDCG;27;0;"MARTINI bead: N0_P1";;;;;;;0.34;;-1.53;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM407525;MM407525;COc1ccc(CC#N)[nH]1;WBNHUUMBOLUWHA-UHFFFAOYSA-N;136.15;1.09;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNa_SNd";;;;;;;0.87;;-1.88;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM407526;MM407526;COC(=CF)CC1CN1C;BFADJVSBKPJCOK-UHFFFAOYSA-N;145.18;1.15;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_SP1";;;;;;;0.81;;-0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM407527;MM407527;C#Cc1ncn(CC)c1N;MOUJIKPSSYSVSC-UHFFFAOYSA-N;135.17;0.47;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP1_SNa";;;;;;;0.04;;-2.54;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM407528;MM407528;C#CC1=C(C)CC(C#C)C1;QXXLNDYGFFWOHI-UHFFFAOYSA-N;130.19;1.98;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC5_SC5";;;;;;;2.41;;0.64;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM407529;MM407529;C#CC(C#C)C(C)CNC;VSBUWZQAQYCQTK-UHFFFAOYSA-N;135.21;0.72;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_N0";;;;;;;1.17;;-4.21;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM407530;MM407530;C#CC(C=C)ON=COC;QEBDPRDALNVPPK-UHFFFAOYSA-N;139.15;0.78;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_C5";;;;;;;0.54;;-1.09;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM407531;MM407531;CCc1ccc(NC=N)[nH]1;INCCBCGUZCLEPO-UHFFFAOYSA-N;137.19;1.6;;;;;DOPC;MDCG;27;1;"MARTINI bead: SC5_SP1";;;;;;;0.81;;-3.34;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM407532;MM407532;CCC(=CF)CN1CC1C;XVHWXGVAAKAJSI-UHFFFAOYSA-N;143.21;1.95;;;;;DOPC;MDCG;27;0;"MARTINI bead: C3_SNd";;;;;;;2.57;;0.55;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM407533;MM407533;C#Cc1ncn(CC)c1O;UICLCNMBTKPFIQ-UHFFFAOYSA-N;136.15;0.59;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNda_SNa";;;;;;;0.87;;-1.99;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM407534;MM407534;C#CC(C#C)C(C)COC;XODYKNOXGIYQCI-UHFFFAOYSA-N;136.19;1.15;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_N0";;;;;;;1.17;;-1.18;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM407535;MM407535;CC=C1CC(C)=C(CC)C1;ZVGAZQANIVGMQN-UHFFFAOYSA-N;136.24;3.45;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC1_SC3";;;;;;;4.61;;0.31;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM407536;MM407536;C#CC(C=C)CC=CC=C;GIPGWYXTFIOMGD-UHFFFAOYSA-N;132.21;2.55;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1_C5";;;;;;;3.68;;0.46;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM407537;MM407537;N=CNc1ccc(CN)[nH]1;YIUHKQURJRLNHS-UHFFFAOYSA-N;138.17;0.49;;;;;DOPC;MDCG;27;1;"MARTINI bead: SP1_SP1";;;;;;;-0.79;;-5.74;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM407538;MM407538;CC=C(CN)CN1CC1C;FVWOOUMJXVQZBV-UHFFFAOYSA-N;140.23;0.6;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_SNd";;;;;;;0.87;;-4.02;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM407539;MM407539;C#Cc1ncn(CC)c1F;UHRSBNNMTBWWKK-UHFFFAOYSA-N;138.15;1.02;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNa_SNa";;;;;;;0.87;;-2.22;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM407540;MM407540;C#CC(C#C)C(N)COC;XWCUCNFXRJXOIR-UHFFFAOYSA-N;137.18;-0.16;;;;;DOPC;MDCG;27;1;"MARTINI bead: P2_N0";;;;;;;0.06;;-3.85;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM407541;MM407541;CCC1=C(C)CC(=CF)C1;PKUSBINHDDZYRM-UHFFFAOYSA-N;140.2;3.36;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC1_SC5";;;;;;;3.68;;0.46;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM407542;MM407542;C#CC(C=C)CC=CC=O;HJGSZHWKATXUBT-UHFFFAOYSA-N;134.18;1.57;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4_Na";;;;;;;2.2;;0.34;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM407543;MM407543;N=CNc1ccc(CO)[nH]1;UKDDEZPTCRNLQU-UHFFFAOYSA-N;139.16;0.53;;;;;DOPC;MDCG;27;1;"MARTINI bead: SNda_SP1";;;;;;;0.04;;-5.29;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM407544;MM407544;CC1CN1CC(=CF)CN;IXRRRPUNXIQFCV-UHFFFAOYSA-N;144.19;0.5;;;;;DOPC;MDCG;27;1;"MARTINI bead: SNd_P1";;;;;;;0.04;;-4.46;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM407545;MM407545;C#Cc1ncn(NC)c1C;CZNZHDROEBKVFO-UHFFFAOYSA-N;135.17;0.35;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP2_SNa";;;;;;;-0.24;;-3.24;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM407546;MM407546;C#CC(C#C)C(C)NCC;UMMGUCNEUQJAJC-UHFFFAOYSA-N;135.21;0.87;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_N0";;;;;;;1.17;;-3.36;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM407547;MM407547;C#CC(C=C)CC=CC#N;ZGGLKWUDVLWEHM-UHFFFAOYSA-N;131.18;1.89;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_N0";;;;;;;1.94;;0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM407548;MM407548;N=CNc1ccc(CF)[nH]1;BJWPLFUDZIXDMZ-UHFFFAOYSA-N;141.15;1.5;;;;;DOPC;MDCG;27;1;"MARTINI bead: SNda_SP1";;;;;;;0.04;;-5.28;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM407549;MM407549;CCC1=C(C)CC(=NO)C1;QYZAEGUHUVQVHZ-UHFFFAOYSA-N;139.2;2.34;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC1_SNda";;;;;;;2.91;;0.57;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM407550;MM407550;C=CC(=O)C(N)=NC(C)=N;YYVSHWIGKSUBRK-UHFFFAOYSA-N;139.16;0.1;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nd_P2";;;;;;;-0.24;;-3.16;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM407551;MM407551;C#CC(C#C)C(C)OCC;HWLSXYBGTXMHDU-UHFFFAOYSA-N;136.19;1.29;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_N0";;;;;;;1.94;;0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM407552;MM407552;C#Cc1ncn(NC)c1N;SZFWNJDDYVJSTO-UHFFFAOYSA-N;136.16;-0.38;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP2_SNa";;;;;;;-0.24;;-3.24;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM407553;MM407553;C#CC(C=O)CC=CC=C;GJLGGAWPKLFTBY-UHFFFAOYSA-N;134.18;1.57;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4_Na";;;;;;;2.2;;0.34;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM407554;MM407554;CC(=O)N=CN=CN(C)N;HSDDNTHIPDIOIN-UHFFFAOYSA-N;142.16;-0.61;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_Na";;;;;;;-0.24;;-3.24;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM407555;MM407555;CNc1ccc(NC=N)[nH]1;GRMAKXACVLANEZ-UHFFFAOYSA-N;138.17;1.08;;;;;DOPC;MDCG;27;1;"MARTINI bead: SNd_SP1";;;;;;;0.04;;-6.32;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM407556;MM407556;CC=C(CF)CN1CC1C;SQJIDEDBBPTLDG-UHFFFAOYSA-N;143.21;1.61;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4_SNd";;;;;;;2.2;;0.33;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM407557;MM407557;C#CC(C#C)N(C)CCN;BSTNJGFFHYLAEO-UHFFFAOYSA-N;136.2;-0.49;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_P2";;;;;;;-0.24;;-5.12;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM407558;MM407558;C#CC(C#N)CC=CC=C;VBQKPRYVKZOISG-UHFFFAOYSA-N;131.18;1.89;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4_N0";;;;;;;2.5;;0.44;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM407559;MM407559;C#Cc1ncn(NC)c1O;FNAYOJQRZRTNPE-UHFFFAOYSA-N;137.14;-0.26;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP2_SNa";;;;;;;-0.24;;-3.24;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM407560;MM407560;CCc1oc(=NO)oc1C;LTRNQGNLPVVLCC-UHFFFAOYSA-N;143.14;1.03;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_SP1";;;;;;;0.81;;-0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM407561;MM407561;C=COc1ccc(CC)[nH]1;PUMZADSXWXSIEL-UHFFFAOYSA-N;137.18;2.1;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC5_SNa";;;;;;;1.64;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM407562;MM407562;CCC(CN1CC1C)=NN;XALZYFRZUPQSAJ-UHFFFAOYSA-N;141.22;0.42;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nd_SNd";;;;;;;0.87;;-2.11;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM407563;MM407563;C#CC(C#C)C(C)NN=C;NJAKOQPBEQZDTO-UHFFFAOYSA-N;134.18;0.46;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nd_N0";;;;;;;1.17;;-1.04;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM407564;MM407564;C#CC(C=O)CC=CC=O;FORUTXXPOXLIHE-UHFFFAOYSA-N;136.15;0.58;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_Na";;;;;;;0.87;;-2.22;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM407565;MM407565;C#Cc1ncn(OC)c1C;CHGBZYZNONXRMG-UHFFFAOYSA-N;136.15;0.23;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNa_SNa";;;;;;;0.87;;-2.22;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM407566;MM407566;C=COc1ccc(CN)[nH]1;HWXPVKXYESQWNY-UHFFFAOYSA-N;138.17;1;;;;;DOPC;MDCG;27;1;"MARTINI bead: SP1_SNa";;;;;;;0.04;;-3.95;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM407567;MM407567;Cc1oc(=NN)oc1CO;QPWRRUFYNMADGI-UHFFFAOYSA-N;144.13;-0.55;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP1_P3";;;;;;;-1.93;;-4.72;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM407568;MM407568;C=NOCCC#CC(C)=O;OHCJDRCDJGSEEK-UHFFFAOYSA-N;139.15;0.6;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_Na";;;;;;;0.87;;-2.22;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM407569;MM407569;C#CC(C=O)CC=CC#N;XKOIWHHZCKFPEU-UHFFFAOYSA-N;133.15;0.9;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_N0";;;;;;;1.17;;-1.18;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM407570;MM407570;C#CC(C#C)C(C)OC=C;JUFCXDRQDRCSOH-UHFFFAOYSA-N;134.18;1.42;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_N0";;;;;;;1.94;;0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM407571;MM407571;C#Cc1ncn(OC)c1N;QYFJKOHWHOZJLW-UHFFFAOYSA-N;137.14;-0.5;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP1_SNa";;;;;;;0.04;;-2.54;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM407572;MM407572;C=NNC(C)C(C)(C)C#N;KHCBIMSSIMIDMK-UHFFFAOYSA-N;139.2;1.13;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nd_N0";;;;;;;1.17;;-1.04;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM407573;MM407573;C=COc1ccc(CO)[nH]1;RYWSGIQXUAYLEW-UHFFFAOYSA-N;139.15;1.03;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNda_SNa";;;;;;;0.87;;-1.99;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM407574;MM407574;C=C(F)C(F)C=NOCC;JBNIBQANGSYATC-UHFFFAOYSA-N;149.14;1.83;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_C5";;;;;;;1.64;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM407575;MM407575;C#CC(C#N)CC=CC=O;VNLBNEXHTKJMNE-UHFFFAOYSA-N;133.15;0.9;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_N0";;;;;;;1.17;;-1.18;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM407576;MM407576;C#CC(C#C)C(C)OC=O;ZVTYKCLEKJGPEK-UHFFFAOYSA-N;136.15;0.43;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_N0";;;;;;;1.17;;-1.18;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM407577;MM407577;C#Cc1cnn(CC)c1C;UYDQKMROEOSXAL-UHFFFAOYSA-N;134.18;1.19;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNa_SP1";;;;;;;0.04;;-2.54;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM407578;MM407578;C=NNC(=N)CC(F)=CC;ILPWUVBIYSDPGO-UHFFFAOYSA-N;143.17;1.43;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4_P1";;;;;;;1.37;;-0.05;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM407579;MM407579;C=COc1ccc(CF)[nH]1;GSTPPSOKQTYIBS-UHFFFAOYSA-N;141.15;2.01;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNda_SNa";;;;;;;0.87;;-1.99;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM407580;MM407580;N=c1cn[nH]c(=NO)nn1;WLBAGVCTIGJKOB-UHFFFAOYSA-N;140.11;-2.03;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP3_SP5";;;;;;;-3.08;;-10.28;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM407581;MM407581;C#Cc1cnn(CC)c1N;VCKCFDKYGCVFPG-UHFFFAOYSA-N;135.17;0.47;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNda_SP1";;;;;;;0.04;;-2.73;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM407582;MM407582;C#CC(C#N)CC=CC#N;XAWYYPYNKBZLDR-UHFFFAOYSA-N;130.15;1.23;;;;;DOPC;MDCG;27;0;"MARTINI bead: N0_N0";;;;;;;1.47;;-0.05;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM407583;MM407583;C=COC(=NN)C(C)=NN;FTDIRLBISPUWDP-UHFFFAOYSA-N;142.16;-0.25;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nd_Nda";;;;;;;0.87;;-1.92;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM407584;MM407584;C=C(F)CCOC=NN;AEXAPDZNXZOAIH-UHFFFAOYSA-N;132.14;0.78;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_C5";;;;;;;0.81;;-0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM407585;MM407585;CCc1oc(=NO)oc1N;BIVQVBGBBVXJBE-UHFFFAOYSA-N;144.13;0.31;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_SP2";;;;;;;0.54;;-1.09;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM407586;MM407586;CN=C(CN1CC1C)NC;GJGSGWQSZDIPQX-UHFFFAOYSA-N;141.22;-0.06;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1_SNd";;;;;;;0.04;;-6.01;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM407587;MM407587;C#Cc1cnn(CC)c1F;YBTOHKWKZBRACU-UHFFFAOYSA-N;138.15;1.02;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNa_SP1";;;;;;;0.04;;-2.54;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM407588;MM407588;C#CC(C=C)CC=NN=C;RQQCJGOFKFBRGP-UHFFFAOYSA-N;134.18;1.5;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4_N0";;;;;;;2.5;;0.44;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM407589;MM407589;C#CC(C#C)N(C)NC=N;LRPBITIZVCVKKB-UHFFFAOYSA-N;135.17;-0.34;;;;;DOPC;MDCG;27;1;"MARTINI bead: P4_N0";;;;;;;-0.88;;-6.33;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM407590;MM407590;C=COc1ccc(OC)[nH]1;KNWRYBWNXMMOQD-UHFFFAOYSA-N;139.15;1.55;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNda_SNa";;;;;;;0.87;;-1.99;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM407591;MM407591;CC(=O)CN1CC1(C)C#N;VPPHAMUVBITETI-UHFFFAOYSA-N;138.17;0.17;;;;;DOPC;MDCG;27;0;"MARTINI bead: P3_SP1";;;;;;;-1.93;;-4.72;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM407592;MM407592;CN=C(CN1CC1C)NN;IVSHZRRFALROHO-UHFFFAOYSA-N;142.21;-0.82;;;;;DOPC;MDCG;27;1;"MARTINI bead: P3_SNd";;;;;;;-1.1;;-5.59;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM407593;MM407593;C#CC(C#C)N(C)NC=O;QZGNRTNXHHUXAW-UHFFFAOYSA-N;136.15;-0.79;;;;;DOPC;MDCG;27;0;"MARTINI bead: P4_N0";;;;;;;-0.88;;-3.74;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM407594;MM407594;CC(C)C=COC=NN;NLUUGIVKEZPCPL-UHFFFAOYSA-N;128.18;1.07;;;;;DOPC;MDCG;27;0;"MARTINI bead: C3_P1";;;;;;;1.74;;0.29;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM407595;MM407595;C#Cc1cnn(NC)c1C;KNFPSVGZNWKYQU-UHFFFAOYSA-N;135.17;0.35;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP1_SP1";;;;;;;-0.79;;-3.13;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM407596;MM407596;C#CC(=C)CC1(O)CC1C;GFMSADXMYGOMPB-UHFFFAOYSA-N;136.19;1.34;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNda_C5";;;;;;;1.64;;0.05;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM407597;MM407597;C=C1C(=C)C(C)(O)CC1C;UCTKGDSMHRKAKL-UHFFFAOYSA-N;138.21;1.89;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNda_SC3";;;;;;;2.57;;0.44;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM407598;MM407598;COCOC(C=NN)=NN;ZTAGHIZGSKAWTP-UHFFFAOYSA-N;146.15;-1.18;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_P1";;;;;;;-1.06;;-3.82;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM407599;MM407599;C#Cc1cnn(NC)c1N;GYAGRROHILRRDR-UHFFFAOYSA-N;136.16;-0.38;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP2_SP1";;;;;;;-1.06;;-3.82;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM407600;MM407600;C=C(F)C#CC(=NN)OC;PILDMZFZALFQJZ-UHFFFAOYSA-N;142.13;0.39;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_C5";;;;;;;0.81;;-0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM407601;MM407601;CC(F)C=COC=NN;VVAXYDAHJRDZNU-UHFFFAOYSA-N;132.14;0.78;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_P1";;;;;;;0.81;;-0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM407602;MM407602;C#CC(C#N)CC=NN=C;OHILZIKOBWJKER-UHFFFAOYSA-N;133.15;0.84;;;;;DOPC;MDCG;27;0;"MARTINI bead: N0_N0";;;;;;;1.47;;-0.05;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM407603;MM407603;NC=C(C(=O)O)C(F)F;QLZDUWPJPIRSSV-UHFFFAOYSA-N;137.09;0.18;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_N0";;;;;;;0.34;;-6.87;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM407604;MM407604;C=C(CCC)C(CC)CC;HBRVVDQXIHIYDB-UHFFFAOYSA-N;140.27;3.78;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1_C1";;;;;;;4.95;;0.69;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM407605;MM407605;N=c1nn[nH]nc1CF;RDSKTHVQMQKXHE-UHFFFAOYSA-N;129.1;-0.85;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP2_SP2";;;;;;;-1.34;;-9.56;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM407606;MM407606;CC=C(CN1CC1C)OC;XKMOMYQTXMIXHE-UHFFFAOYSA-N;141.21;1.24;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_SNd";;;;;;;1.64;;0.03;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM407607;MM407607;NN=COC=CC(F)F;IVEACCOAUAWVPZ-UHFFFAOYSA-N;136.1;0.68;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda_N0";;;;;;;1.17;;-1.13;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM407608;MM407608;C#CC(C=C)NC=CC=O;AZJZYVNLZJUSJQ-UHFFFAOYSA-N;135.17;0.48;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_P2";;;;;;;0.54;;-1.09;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM407609;MM407609;O=c1c(O)non1O;LUQZXOYLVUMTRL-UHFFFAOYSA-N;118.05;-1.22;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP1_SP2";;;;;;;-1.06;;-8.87;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM407610;MM407610;C=C(CCC)C(CC)CN;ZSCMOFDTLGEBNQ-UHFFFAOYSA-N;141.26;2.33;;;;;DOPC;MDCG;27;1;"MARTINI bead: C1_Nd";;;;;;;2.91;;-0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM407611;MM407611;CCC(=NN1CC1C)NC;DNRXFEWAZPXXTE-UHFFFAOYSA-N;141.22;0.63;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_SP1";;;;;;;0.04;;-4.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM407612;MM407612;C#Cc1cnn(OC)c1N;VLXCHFFLQLDFRF-UHFFFAOYSA-N;137.14;-0.5;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP1_SP1";;;;;;;-0.79;;-3.13;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM407613;MM407613;C=C(F)C=COC=NN;ZWGDBZGUKLURJI-UHFFFAOYSA-N;130.12;0.9;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_C5";;;;;;;0.81;;-0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM407614;MM407614;OC=C1N=NC(CO)=N1;FKQSAUDUWMTTEA-UHFFFAOYSA-N;127.1;0.2;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP1_SNda";;;;;;;0.04;;-8.02;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM407615;MM407615;C#CC(C=C)NC=CC#N;FHHVMQDWMRUPRF-UHFFFAOYSA-N;132.17;0.8;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_P1";;;;;;;0.81;;-0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM407616;MM407616;C#CC(=O)C=CCNN=C;LNKTVDVCFQBJKM-UHFFFAOYSA-N;136.15;-0.05;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nd_Na";;;;;;;0.87;;-1.88;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM407617;MM407617;C=C(CCF)C(CC)CN;QMGTYKWUIXIATN-UHFFFAOYSA-N;145.22;1.89;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_C5";;;;;;;1.64;;-2.66;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM407618;MM407618;C#Cc1nnn(CC)c1C;SEXNBTMEHSSRMA-UHFFFAOYSA-N;135.17;0.59;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNa_SP1";;;;;;;0.04;;-2.54;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM407619;MM407619;N#CC(CO)C(O)C(=O)O;UAYUEFGDKVYRFM-UHFFFAOYSA-N;145.11;-1.44;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_P2";;;;;;;-1.34;;-9.4;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM407620;MM407620;CC(C)=CCOC=NN;NWTSTUPORBLNRA-UHFFFAOYSA-N;128.18;0.87;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4_P1";;;;;;;1.37;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM407621;MM407621;C#CC(C=O)NC=CC=O;XGQDWAWPQYVKKZ-UHFFFAOYSA-N;137.14;-0.51;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_Na";;;;;;;-0.24;;-3.24;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM407622;MM407622;C=CC(=CC)CC1CC1C;YXFBIZUSYJXWPZ-UHFFFAOYSA-N;136.24;3.16;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1_SC5";;;;;;;3.68;;0.46;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM407623;MM407623;C#Cc1nnn(CC)c1N;SHNMISZTKWWSOO-UHFFFAOYSA-N;136.16;-0.14;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP1_SP1";;;;;;;-0.79;;-3.13;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM407624;MM407624;C=C(CCO)C(CO)CO;QHMOZOOEYATRID-UHFFFAOYSA-N;146.19;-0.47;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda_P3";;;;;;;-1.1;;-3.97;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM407625;MM407625;C=CCc1cnc(OC)[nH]1;LIFNXLPLHFOFOE-UHFFFAOYSA-N;138.17;1.15;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNda_SNd";;;;;;;0.87;;-1.92;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM407626;MM407626;N#CC(CC(=O)O)=NO;LHBDNHAXJGEPEY-UHFFFAOYSA-N;128.09;-0.19;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_P1";;;;;;;-1.06;;-8.87;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM407627;MM407627;C#CC(C#N)NC=CC#N;GQGSDMYUHHLIDT-UHFFFAOYSA-N;131.14;0.14;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_N0";;;;;;;0.34;;-1.53;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM407628;MM407628;C=CC(=CF)CC1CC1C;LYLGNLWLPPVAPL-UHFFFAOYSA-N;140.2;3.07;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC5_C2";;;;;;;3.6;;0.34;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM407629;MM407629;N=c1nc(F)c(O)no1;NFGVTKAAVGAPKY-UHFFFAOYSA-N;131.07;-0.61;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP2_SP2";;;;;;;-1.34;;-9.56;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM407630;MM407630;CCC(CF)C(=O)CCO;BURSBJUMUUEEHE-UHFFFAOYSA-N;148.18;0.93;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_P2";;;;;;;0.54;;-1.09;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM407631;MM407631;O=CON=C(CO)C(=O)O;SBFWIWDERQXUCK-UHFFFAOYSA-N;147.09;-1.41;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_P1";;;;;;;-1.06;;-8.88;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM407632;MM407632;COc1ncc(CC#N)[nH]1;SLTUCUHOGAKRAW-UHFFFAOYSA-N;137.14;0.48;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNda_SNd";;;;;;;0.87;;-1.92;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM407633;MM407633;C=C(CCF)CC(O)CC;QACLWQXPOUIRJV-UHFFFAOYSA-N;146.21;2.06;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda_C4";;;;;;;2.2;;0.49;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM407634;MM407634;CC=C(C=O)CC1CC1C;IFSFUMHDDMBSFS-UHFFFAOYSA-N;138.21;2.18;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_SC5";;;;;;;1.64;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM407635;MM407635;C#Cc1nnn(NC)c1C;JRNNGICTGJEHKW-UHFFFAOYSA-N;136.16;-0.26;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP2_SP1";;;;;;;-1.06;;-3.82;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM407636;MM407636;O=C(CCO)C(CO)CO;SYURDWUTVXIZRY-UHFFFAOYSA-N;148.16;-1.46;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_P3";;;;;;;-2.2;;-5.19;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM407637;MM407637;CC(F)=CCOC=NN;MFXNIRLWHQCWKS-UHFFFAOYSA-N;132.14;0.78;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_P1";;;;;;;0.81;;-0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM407638;MM407638;C#CC(C=O)N=CNC=O;CFYUCHSSCRERSR-UHFFFAOYSA-N;138.13;-1.04;;;;;DOPC;MDCG;27;0;"MARTINI bead: P3_Na";;;;;;;-1.1;;-4.2;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM407639;MM407639;C=C1C(C)=CC(C)(O)C1C;KHAICVOLHJOGOJ-UHFFFAOYSA-N;138.21;1.89;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC2_SNda";;;;;;;2.83;;0.57;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM407640;MM407640;CC=C(C#N)CC1CC1C;XESNAGVXXXQXPW-UHFFFAOYSA-N;135.21;2.5;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_SC5";;;;;;;2.41;;0.64;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM407641;MM407641;C#Cc1nnn(NC)c1N;PADCBPAHWROXAQ-UHFFFAOYSA-N;137.15;-0.99;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP2_SP1";;;;;;;-1.06;;-3.82;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM407642;MM407642;NN=COCC=C(F)F;XKJVDUPXGJESRY-UHFFFAOYSA-N;136.1;0.69;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_C4";;;;;;;1.37;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM407643;MM407643;CCCC(=O)C(CO)CF;YCXBRCDTPXKFSK-UHFFFAOYSA-N;148.18;0.93;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_P2";;;;;;;0.54;;-1.09;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM407644;MM407644;NN=c1oc(F)c(CO)o1;BBJMEKNAHBKRNP-UHFFFAOYSA-N;148.09;-0.72;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP1_P3";;;;;;;-1.93;;-4.72;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM407645;MM407645;C#CC(C#N)N=CNC=O;PXSLODBEGXOCTN-UHFFFAOYSA-N;135.13;-0.71;;;;;DOPC;MDCG;27;0;"MARTINI bead: P3_N0";;;;;;;-0.8;;-2.99;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM407646;MM407646;CC1CC1CC(C=O)=CN;SWTQWTPGJQAOOC-UHFFFAOYSA-N;139.2;1.07;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC5_P1";;;;;;;0.81;;-0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM407647;MM407647;Cn1nnnc1O;AOKKGXXYBPBKDR-UHFFFAOYSA-N;100.08;-1.08;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP1_SP1";;;;;;;-0.79;;-8.83;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM407648;MM407648;CNc1ncc(NC=N)[nH]1;PWMZGFKZRMSDHP-UHFFFAOYSA-N;139.16;0.47;;;;;DOPC;MDCG;27;1;"MARTINI bead: SNda_SP2";;;;;;;-0.24;;-5.88;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM407649;MM407649;NN=c1oc(F)c(CF)o1;BMAGTVJTHRTMNS-UHFFFAOYSA-N;150.08;0.26;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP1_Na";;;;;;;0.04;;-2.54;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM407650;MM407650;O=C(CCO)C(CF)CF;YLJONNFBPHGNHU-UHFFFAOYSA-N;152.14;0.49;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_Na";;;;;;;-0.24;;-3.24;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM407651;MM407651;CCC(O)CC(C)=CCF;QXTKYPJHBQSALW-UHFFFAOYSA-N;146.21;2.06;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda_C4";;;;;;;2.2;;0.49;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM407652;MM407652;C=C1CC(C)(O)C(C)=C1C;RAVULMVCGKYUOO-UHFFFAOYSA-N;138.21;2.03;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC3_SNda";;;;;;;2.57;;0.44;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM407653;MM407653;CC1CC1CC(C#N)=CN;DUNTYBBARFOZNQ-UHFFFAOYSA-N;136.2;1.4;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC5_P1";;;;;;;0.81;;-0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM407654;MM407654;COc1ncc(NC=N)[nH]1;DWAXIYRWQZGBAG-UHFFFAOYSA-N;140.15;0.44;;;;;DOPC;MDCG;27;1;"MARTINI bead: SNda_SP2";;;;;;;-0.24;;-4.95;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM407655;MM407655;C#Cc1nnn(OC)c1C;MDSZANBNUAEPHZ-UHFFFAOYSA-N;137.14;-0.37;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP1_SP1";;;;;;;-0.79;;-3.13;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM407656;MM407656;C=CCC(O)CCCCC;NDUPBTSXOSZHON-UHFFFAOYSA-N;142.24;2.5;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1_C5";;;;;;;3.68;;0.46;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM407657;MM407657;C=C(CNC)C(CN)CF;STSFHWPYNYCFPL-UHFFFAOYSA-N;146.21;0.31;;;;;DOPC;MDCG;27;1;"MARTINI bead: P2_Na";;;;;;;-0.24;;-6.08;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM407658;MM407658;CNc1oc(=NO)oc1C;CNUHGUCLHCSFRI-UHFFFAOYSA-N;144.13;0.51;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_SP1";;;;;;;-1.06;;-3.82;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM407659;MM407659;CC1CC1CC(C=O)=CF;RSXJWEUDVZELRB-UHFFFAOYSA-N;142.17;2.08;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC5_Na";;;;;;;1.64;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM407660;MM407660;CCCC(C)OC=NN;XYRYHGAVUYQDCB-UHFFFAOYSA-N;130.19;1.09;;;;;DOPC;MDCG;27;0;"MARTINI bead: C3_Nda";;;;;;;2.57;;0.44;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM407661;MM407661;C#Cc1nnn(OC)c1N;MNUGPGSHXFNKPM-UHFFFAOYSA-N;138.13;-1.1;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP2_SP1";;;;;;;-1.06;;-3.82;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM407662;MM407662;CCC=CCC(O)CCC;WKQYJDPUQHYQCI-UHFFFAOYSA-N;142.24;2.5;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda_C1";;;;;;;2.91;;0.57;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM407663;MM407663;C=C(CNC)C(CO)CO;MEYWPEZYXJIEMQ-UHFFFAOYSA-N;145.2;-0.64;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_P3";;;;;;;-1.1;;-5.75;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM407664;MM407664;COC1(C)CC(=O)N(N)C1;AFIFGTDMDWWLKD-UHFFFAOYSA-N;144.17;-0.5;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNa_SP2";;;;;;;-0.24;;-3.24;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM407665;MM407665;C=COc1cnc(CO)[nH]1;CPJJGDVXZTXSSS-UHFFFAOYSA-N;140.14;0.42;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP1_SNda";;;;;;;0.04;;-2.73;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM407666;MM407666;CC1CC1CC(C#N)=CF;PNGKRWLSVLEFAN-UHFFFAOYSA-N;139.17;2.41;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC5_Na";;;;;;;1.64;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM407667;MM407667;C=CC1C=CC(CC)=C1C;CRWWZXCWNPWWKL-UHFFFAOYSA-N;134.22;3.08;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC1_SC4";;;;;;;4.24;;0.42;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM407668;MM407668;C#CC(C=C)NN=CC#N;CWPYEGYOJZRXTQ-UHFFFAOYSA-N;133.15;0.27;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_P2";;;;;;;0.54;;-1.09;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM407669;MM407669;C=C(CNC)C(CO)CF;DEHJYGFTNOTJOU-UHFFFAOYSA-N;147.19;0.34;;;;;DOPC;MDCG;27;1;"MARTINI bead: P2_Na";;;;;;;-0.24;;-5.36;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM407670;MM407670;C=COc1c[nH]c(CF)n1;MKKGTRGZUXJULL-UHFFFAOYSA-N;142.13;1.4;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNda_SNda";;;;;;;0.87;;-2.07;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM407671;MM407671;CNc1oc(=NO)oc1N;OPXCFQKDEBUTLF-UHFFFAOYSA-N;145.12;-0.21;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_SP2";;;;;;;-1.34;;-4.31;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM407672;MM407672;C=CC(=CC)CC1CC1N;LHNQIUUEXQEQIW-UHFFFAOYSA-N;137.23;1.86;;;;;DOPC;MDCG;27;1;"MARTINI bead: C1_SP1";;;;;;;2.08;;-1.01;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM407673;MM407673;C=CC1C=CC(CN)=C1C;BNHNKQMGXAFRMZ-UHFFFAOYSA-N;135.21;1.63;;;;;DOPC;MDCG;27;1;"MARTINI bead: SNd_SC4";;;;;;;2.2;;-1.62;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM407675;MM407675;C=C(COC)C(CC)CC;FSMUSUWBSBMNST-UHFFFAOYSA-N;142.24;2.63;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1_Na";;;;;;;2.91;;0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM407674;MM407674;C=NN(C=O)C(C)C(C)=O;LRMUWCGUNQFVHY-UHFFFAOYSA-N;142.16;0.04;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_Na";;;;;;;-0.24;;-3.24;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM407676;MM407676;C=C1CC(O)(CC)C=C1C;LLWICHATGZZAJK-UHFFFAOYSA-N;138.21;2.03;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC5_SC3";;;;;;;3.34;;0.48;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM407677;MM407677;C=CC(=CF)CC1CC1N;WNASSXLPFWBBNB-UHFFFAOYSA-N;141.19;1.76;;;;;DOPC;MDCG;27;1;"MARTINI bead: SP1_C2";;;;;;;2;;-1.25;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM407678;MM407678;COCC(C)OC=NN;PSKFHTPPJBQSJK-UHFFFAOYSA-N;132.16;-0.06;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_Nda";;;;;;;0.04;;-2.73;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM407679;MM407679;C=CC1C=CC(CO)=C1C;KOUQDFADVOCHIV-UHFFFAOYSA-N;136.19;1.67;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNda_SC4";;;;;;;2.2;;0.49;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM407680;MM407680;COCC(=O)C(CO)CO;UXFCKZGQYVTGQF-UHFFFAOYSA-N;148.16;-1.2;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_P3";;;;;;;-1.93;;-4.72;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM407681;MM407681;C=C(CCC)C(C)C(C)O;HIWWEIVYWHHTPM-UHFFFAOYSA-N;142.24;2.36;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1_P1";;;;;;;2.08;;0.48;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM407682;MM407682;C#CC(=O)C=CCON=C;WEURTNVDYOTDKA-UHFFFAOYSA-N;137.14;0.38;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_Na";;;;;;;0.87;;-2.22;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM407683;MM407683;CC(OC=O)OC=NN;FJXIDODSSINFFY-UHFFFAOYSA-N;132.12;-0.58;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda_P1";;;;;;;0.04;;-2.73;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM407684;MM407684;C=NNC(=CC#N)C(C)=O;KVWGAHSHBPGPJC-UHFFFAOYSA-N;137.14;0.19;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_Nd";;;;;;;0.87;;-1.88;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM407685;MM407685;C=C(CCO)C(CC)NC;JLQCLHHXWMAHBG-UHFFFAOYSA-N;143.23;0.92;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_Nda";;;;;;;0.87;;-4.28;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM407686;MM407686;C=CC1C=CC(CF)=C1C;REORETKWKUUNDZ-UHFFFAOYSA-N;138.19;2.64;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC4_SC4";;;;;;;3.53;;0.53;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM407687;MM407687;C#CC(C=C)OC=CC=C;XTNMAUJLQUIJET-UHFFFAOYSA-N;134.18;1.89;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_C5";;;;;;;1.64;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM407688;MM407688;C#CC(=O)C=CC=NNC;BEZBWRQROYFZHC-UHFFFAOYSA-N;136.15;-0.05;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nd_Na";;;;;;;0.87;;-1.88;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM407689;MM407689;C#CCC(C)OC=NN;IDESZBFZMUXZSQ-UHFFFAOYSA-N;126.16;0.32;;;;;DOPC;MDCG;27;0;"MARTINI bead: C3_P3";;;;;;;0.6;;-0.8;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM407690;MM407690;C=CC(=O)C1NC1(C)C=C;KRWUIGYFQCRBDV-UHFFFAOYSA-N;137.18;0.66;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP1_Na";;;;;;;0.04;;-2.54;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM407691;MM407691;C=C(CCF)C(CN)NC;BZDZDTMSPINKJB-UHFFFAOYSA-N;146.21;0.45;;;;;DOPC;MDCG;27;1;"MARTINI bead: P3_C5";;;;;;;-0.33;;-4.29;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM407692;MM407692;CCC1=C(C)C(C=O)C=C1;VSVYMTYVZATCHD-UHFFFAOYSA-N;136.19;2.1;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC1_SNa";;;;;;;2.91;;0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM407693;MM407693;C#CC(C=O)OC=CC=C;KAPQPPVOPSRWLJ-UHFFFAOYSA-N;136.15;0.9;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_Na";;;;;;;0.87;;-2.22;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM407694;MM407694;C#CC#CC(=NN)OCC;NDYSSTVLKRRPBE-UHFFFAOYSA-N;136.15;-0.07;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda_N0";;;;;;;1.17;;-1.13;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM407695;MM407695;C=C(CCC)OC=NN;TVXBROPOUDZVQE-UHFFFAOYSA-N;128.18;1.22;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4_P1";;;;;;;1.37;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM407696;MM407696;N#CC1(CCC(=O)O)CN1;ZHMSRZLVWYGNGU-UHFFFAOYSA-N;140.14;-0.28;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_SP1";;;;;;;-0.79;;-8.51;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM407697;MM407697;C=C(CCN)C(CF)NC;SCUWFBOPRFXXOH-UHFFFAOYSA-N;146.21;0.45;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nda_P2";;;;;;;-0.24;;-6.05;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM407698;MM407698;C#CC(C#N)OC=CC=C;SMBJSMQIPSNWSB-UHFFFAOYSA-N;133.15;1.23;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_N0";;;;;;;1.17;;-1.18;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM407699;MM407699;CCC1=C(C)C(C#N)C=C1;DUDPKRZVPYVJTG-UHFFFAOYSA-N;133.19;2.42;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC1_SN0";;;;;;;3.21;;0.53;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM407700;MM407700;C=CCC(=C)OC=NN;BQXDVCCQDGGMAE-UHFFFAOYSA-N;126.16;0.99;;;;;DOPC;MDCG;27;0;"MARTINI bead: P3_C2";;;;;;;0.86;;-0.3;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM407701;MM407701;CC=C(C#N)CC1CC1O;VDXURTPMPSTXRM-UHFFFAOYSA-N;137.18;1.23;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_SP1";;;;;;;0.81;;-0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM407702;MM407702;N#CC1(OCC(=O)O)CC1;QBWQKFBWSFWHKH-UHFFFAOYSA-N;141.13;0.14;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_SP2";;;;;;;-1.06;;-8.88;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM407703;MM407703;C=C(CCN)C(CF)OC;JSDWNNLFKMDQEO-UHFFFAOYSA-N;147.19;0.88;;;;;DOPC;MDCG;27;1;"MARTINI bead: Na_P1";;;;;;;0.04;;-5.28;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM407704;MM407704;CC1=C(CO)C=CC1C=O;FFWOGXWTSJUNFW-UHFFFAOYSA-N;138.17;0.68;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNda_SNa";;;;;;;0.87;;-1.99;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM407705;MM407705;C#CC(C=C)OC=NN=C;VECCFAMNSSNPDA-UHFFFAOYSA-N;136.15;0.83;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_P1";;;;;;;0.81;;-0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM407706;MM407706;C#CC#CC(=NN)OC=C;SHQZYBKAEJNEFG-UHFFFAOYSA-N;134.14;0.06;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda_N0";;;;;;;1.17;;-1.13;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM407707;MM407707;C#CCC(=C)OC=NN;ADNYMKJLVLAHMA-UHFFFAOYSA-N;124.14;0.44;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda_N0";;;;;;;1.17;;-1.13;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM407708;MM407708;COc1oc(=NN)oc1F;IPLYNSDQPZTKHZ-UHFFFAOYSA-N;148.09;-0.21;;;;;DOPC;MDCG;27;0;"MARTINI bead: P3_SP1";;;;;;;-1.93;;-4.72;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM407709;MM407709;C=CC1C=CC(OC)=C1C;CNHABJWTKPGBRG-UHFFFAOYSA-N;136.19;2.28;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC4_SC4";;;;;;;3.53;;0.53;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM407710;MM407710;C=C(COC)C(CN)OC;ZRCLKJGCDXLXMK-UHFFFAOYSA-N;145.2;0.16;;;;;DOPC;MDCG;27;1;"MARTINI bead: Na_P2";;;;;;;-0.24;;-5.25;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM407711;MM407711;C=CC(C(C)O)C(C)CC;AQGUQBCJGGSSQT-UHFFFAOYSA-N;142.24;2.22;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1_C5";;;;;;;3.68;;0.46;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM407712;MM407712;C#CC(C=O)OC=NN=C;VRMDMVJYUXWNRJ-UHFFFAOYSA-N;138.13;-0.15;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_P2";;;;;;;0.54;;-1.09;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM407713;MM407713;C=CC1=C(C)CC(=CF)C1;WRIJNFWALBLIJB-UHFFFAOYSA-N;138.19;3.14;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC3_SC5";;;;;;;3.34;;0.48;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM407714;MM407714;C=C(COC)C(CO)OC;QCXZLACNSVVJFG-UHFFFAOYSA-N;146.19;0.2;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_P2";;;;;;;-0.24;;-3.24;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM407715;MM407715;CC=CC(C)OC=NN;PLYLAASRBKSLMC-UHFFFAOYSA-N;128.18;0.87;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_P1";;;;;;;0.81;;-0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM407716;MM407716;COC1=C(C)C(C=O)C=C1;WOYMPZUDERENDA-UHFFFAOYSA-N;138.17;1.29;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC4_SNa";;;;;;;2.2;;0.34;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM407717;MM407717;C#CC(C=C)ON=CC=C;WVGDDDVCKGZBGJ-UHFFFAOYSA-N;135.17;1.36;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_C5";;;;;;;1.64;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM407718;MM407718;C=Cc1nc(=N)onc1N;UMCSQACLLUVQQE-UHFFFAOYSA-N;138.13;-0.23;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP3_SP2";;;;;;;-2.2;;-5.19;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM407719;MM407719;CC=C1CC(C)=C(C#N)C1;OLJOPFLRABOHBQ-UHFFFAOYSA-N;133.19;2.57;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC3_SC5";;;;;;;3.34;;0.48;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM407720;MM407720;C=C(C=CF)OC=NN;TUODGWIAMJZBNQ-UHFFFAOYSA-N;130.12;0.9;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda_C5";;;;;;;1.64;;0.05;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM407721;MM407721;COCC(=O)C(CO)OC;ILCQARDVTMXOHN-UHFFFAOYSA-N;148.16;-0.79;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_P2";;;;;;;-1.06;;-3.82;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM407722;MM407722;C#CC(C=C)ON=CC=O;HUQUFQOUNMVXPB-UHFFFAOYSA-N;137.14;0.38;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_P1";;;;;;;0.81;;-0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM407723;MM407723;COC1=C(C)C(C#N)C=C1;LJSOQEPNTOHKJG-UHFFFAOYSA-N;135.17;1.62;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC4_SN0";;;;;;;2.5;;0.5;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM407724;MM407724;N#CC(=CF)CC1CC1O;APLZXVCWJIRMCC-UHFFFAOYSA-N;141.15;1.13;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP1_Na";;;;;;;0.04;;-2.54;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM407725;MM407725;C=CC1=C(C)CC(=NO)C1;UTXMPSHQMRHPMN-UHFFFAOYSA-N;137.18;2.11;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC3_SNda";;;;;;;2.57;;0.44;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM407726;MM407726;CC#CC(C)OC=NN;JAGLMYVHELBNCB-UHFFFAOYSA-N;126.16;0.32;;;;;DOPC;MDCG;27;0;"MARTINI bead: C3_P3";;;;;;;0.6;;-0.8;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM407727;MM407727;C=Cn1ccc(CC)c1C;YXPRALAZGZLZHJ-UHFFFAOYSA-N;135.21;2.46;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC5_SC5";;;;;;;2.41;;0.64;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM407728;MM407728;C#CC(C=C)ON=CC#N;RLSAXUJRYDIRBV-UHFFFAOYSA-N;134.14;0.7;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_P2";;;;;;;0.54;;-1.09;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM407729;MM407729;C=C(CCN)C(OC)OC;VFJBSOBNEGEYLV-UHFFFAOYSA-N;145.2;0.51;;;;;DOPC;MDCG;27;1;"MARTINI bead: Na_P2";;;;;;;-0.24;;-5.97;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM407730;MM407730;C=CC(=CC)CC1CC1F;GMUOICLHOAPOBB-UHFFFAOYSA-N;140.2;2.87;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1_SNa";;;;;;;2.91;;0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM407731;MM407731;C=CC1=C(C)CC(=NC)N1;KQYLTTGZFSVMEU-UHFFFAOYSA-N;136.2;1.47;;;;;DOPC;MDCG;27;1;"MARTINI bead: SNd_SN0";;;;;;;1.17;;-3.77;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM407732;MM407732;C=Cn1ccc(CN)c1C;DSFHJEUVUJOXBW-UHFFFAOYSA-N;136.2;1.36;;;;;DOPC;MDCG;27;1;"MARTINI bead: SP1_SC5";;;;;;;0.81;;-2.35;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM407733;MM407733;COc1c[nH]c(CC#N)n1;WGUJHEQXXCTEEU-UHFFFAOYSA-N;137.14;0.48;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNda_SNd";;;;;;;0.87;;-1.92;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM407734;MM407734;C=NNC(=NOC)C(C)F;CFOAZRJFIGKHDS-UHFFFAOYSA-N;147.15;0.51;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_C5";;;;;;;0.81;;-0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM407735;MM407735;C=C(CCF)C(OC)OC;ZERDJZOOCJRFSJ-UHFFFAOYSA-N;148.18;1.52;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_C5";;;;;;;0.81;;-0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM407736;MM407736;C=CC(=CF)CC1CC1F;CTCQGWHRAHUEDE-UHFFFAOYSA-N;144.16;2.77;;;;;DOPC;MDCG;27;0;"MARTINI bead: C2_SNa";;;;;;;2.83;;0.35;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM407737;MM407737;C=CC1=C(C)CC(=CF)O1;DWTWBNBINCKXEO-UHFFFAOYSA-N;140.16;2.68;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC5_SC5";;;;;;;2.41;;0.64;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM407738;MM407738;C=C(F)C(=NNC)OCC;FUDQXLOVYZPBPZ-UHFFFAOYSA-N;146.17;1.04;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_P2";;;;;;;0.54;;-1.09;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM407739;MM407739;C=COc1ncc(CN)[nH]1;NOFFTIJWSCAWHC-UHFFFAOYSA-N;139.16;0.39;;;;;DOPC;MDCG;27;1;"MARTINI bead: SP2_SNda";;;;;;;-0.24;;-4.37;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM407740;MM407740;C=Cn1ccc(CO)c1C;IRMVMWQRPWTHLD-UHFFFAOYSA-N;137.18;1.39;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNda_SC5";;;;;;;1.64;;0.05;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM407741;MM407741;CCCC(=O)C(OC)OC;QVEFWBQLIVFFTH-UHFFFAOYSA-N;146.19;0.97;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_P1";;;;;;;0.81;;-0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM407742;MM407742;CC=C(C=O)CC1CC1F;NOIZTRHXDBHFNS-UHFFFAOYSA-N;142.17;1.88;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_SNa";;;;;;;0.87;;-2.22;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM407743;MM407743;CNN(C)C(=O)C(C)OC;CGQWAIJREGXEPP-UHFFFAOYSA-N;146.19;-0.39;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_Na";;;;;;;-0.24;;-3.24;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM407744;MM407744;C=Cn1ccc(CF)c1C;KWXBBRJBGGKZGH-UHFFFAOYSA-N;139.17;2.37;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNa_SC5";;;;;;;1.64;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM407745;MM407745;C=CCc1nc(CC)n[nH]1;KFPSVARXGCEDFZ-UHFFFAOYSA-N;137.19;1.1;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNda_SNda";;;;;;;0.87;;-2.07;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM407746;MM407746;C#CC=CCC(C#C)C=C;DLRAKFKKYLTGMV-UHFFFAOYSA-N;130.19;2;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_C4";;;;;;;2.97;;0.45;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM407747;MM407747;CC=C(C#N)CC1CC1F;CVNXIIGLCLUEJI-UHFFFAOYSA-N;139.17;2.2;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_SNa";;;;;;;1.64;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM407748;MM407748;COC(OC)C(=O)CCO;IUFUEYNAIDSMSZ-UHFFFAOYSA-N;148.16;-0.44;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_P2";;;;;;;-1.06;;-3.82;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM407749;MM407749;CCON=C(C=NN)NN;PKIIKPIACJRYSH-UHFFFAOYSA-N;145.17;-1.26;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_P3";;;;;;;-0.33;;-2.01;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM407750;MM407750;CCc1ccn(C=N)c1C;RUMBRICJCMNDOK-UHFFFAOYSA-N;136.2;1.81;;;;;DOPC;MDCG;27;1;"MARTINI bead: SC5_SNd";;;;;;;1.64;;-3.95;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM407751;MM407751;C=CCc1nc(CO)n[nH]1;CVVGCRCKCDYTBP-UHFFFAOYSA-N;139.16;0.03;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP2_SNda";;;;;;;-0.24;;-3.31;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM407752;MM407752;C#CC=CCC(C#C)C=O;JAGMCFSKWSEIGJ-UHFFFAOYSA-N;132.16;1.01;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_C4";;;;;;;2.2;;0.34;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM407753;MM407753;NC=C(C=O)CC1CC1F;IKHYEFCOMQSNOW-UHFFFAOYSA-N;143.16;0.78;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_SNa";;;;;;;0.04;;-2.54;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM407754;MM407754;CCNC(=N)C(CC)CC;LZQJHEAKPLHXFJ-UHFFFAOYSA-N;142.25;2.01;;;;;DOPC;MDCG;27;1;"MARTINI bead: P2_C1";;;;;;;1.8;;-3.76;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM407755;MM407755;C=Cc1oc(=NO)oc1C;UELGZEYAORQAGZ-UHFFFAOYSA-N;141.13;1.11;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP1_N0";;;;;;;0.34;;-1.53;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM407756;MM407756;Cc1c(CN)ccn1C=N;FLKZUIZKNYARJT-UHFFFAOYSA-N;137.19;0.71;;;;;DOPC;MDCG;27;1;"MARTINI bead: SP1_SNd";;;;;;;0.04;;-5.79;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM407757;MM407757;C=CCc1nc(CF)n[nH]1;BDZOPSCVNLOACL-UHFFFAOYSA-N;141.15;1;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP1_SNda";;;;;;;0.04;;-2.73;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM407758;MM407758;N#CC(=CN)CC1CC1F;YTRRQVNBOHIJBI-UHFFFAOYSA-N;140.16;1.1;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_SNa";;;;;;;0.04;;-2.54;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM407759;MM407759;C#CC=CCC(C#C)C#N;YGHOPKJTGVZKEF-UHFFFAOYSA-N;129.16;1.34;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4_N0";;;;;;;2.5;;0.44;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM407760;MM407760;CCNC(=N)C(CC)CO;ICVRHQCRVRVIHF-UHFFFAOYSA-N;144.22;0.59;;;;;DOPC;MDCG;27;1;"MARTINI bead: C5_P2";;;;;;;0.54;;-5.58;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM407761;MM407761;C#CCC(C=NN=C)=CF;WCPOXFZWZUDLGB-UHFFFAOYSA-N;138.15;1.55;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_N0";;;;;;;1.94;;0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM407762;MM407762;CCC=C(C)OC=NN;RYVGAKFKAXKZED-UHFFFAOYSA-N;128.18;1.22;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1_P3";;;;;;;0.94;;0.03;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM407763;MM407763;Cc1c(CO)ccn1C=N;QFYUZTIXJSKCIJ-UHFFFAOYSA-N;138.17;0.74;;;;;DOPC;MDCG;27;1;"MARTINI bead: SNda_SNd";;;;;;;0.87;;-4.94;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM407764;MM407764;CNN=c1oc(=N)n(C)o1;USRSTQHUIYMPGO-UHFFFAOYSA-N;144.13;-1.27;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_SP1";;;;;;;-1.06;;-3.82;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM407765;MM407765;O=CC(=CF)CC1CC1F;AEUSIKDWPGFGPI-UHFFFAOYSA-N;146.14;1.79;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_SNa";;;;;;;0.87;;-2.22;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM407766;MM407766;CCNC(=N)C(CN)CO;IBNFHGJTCOMGKI-UHFFFAOYSA-N;145.21;-0.86;;;;;DOPC;MDCG;27;1;"MARTINI bead: P2_P2";;;;;;;-1.34;;-8.54;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM407767;MM407767;C=Cc1oc(=NO)oc1N;WIGKPPBVCZMSSV-UHFFFAOYSA-N;142.11;0.39;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP2_N0";;;;;;;0.06;;-2.21;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM407768;MM407768;Cc1c(CF)ccn1C=N;WZZXFNXFKKIYNE-UHFFFAOYSA-N;140.16;1.72;;;;;DOPC;MDCG;27;1;"MARTINI bead: SNa_SNd";;;;;;;0.87;;-4.85;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM407769;MM407769;CNc1n[nH]c(CC#N)n1;WWAZQXRTNQIKJQ-UHFFFAOYSA-N;137.15;-0.09;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP1_SP1";;;;;;;-0.79;;-3.13;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM407770;MM407770;C=CCC1=CC(C)C(O)C1;WOWVBNWLOMYMGU-UHFFFAOYSA-N;138.21;1.89;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC3_SNda";;;;;;;2.57;;0.44;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM407771;MM407771;N#CC(=CF)CC1CC1F;NBBLPJGDBGHAAA-UHFFFAOYSA-N;143.14;2.11;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_SNa";;;;;;;0.87;;-2.22;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM407772;MM407772;C#CC(O)C(=CN)C(=O)O;QRDWIDDPRLWDAI-UHFFFAOYSA-N;141.13;-1.09;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_P1";;;;;;;-1.06;;-8.88;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM407773;MM407773;CCC(CO)C(=N)NNC;HBLTXQPYVFAUMW-UHFFFAOYSA-N;145.21;-0.29;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nda_P4";;;;;;;-1.19;;-7.66;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM407774;MM407774;CCc1ccn(C=O)c1C;VFLLZJPZHBTDAT-UHFFFAOYSA-N;137.18;1.4;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC5_SNa";;;;;;;1.64;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM407775;MM407775;C#CC=COC(C#C)C=C;FKICONNNUFUBEK-UHFFFAOYSA-N;132.16;1.34;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_Na";;;;;;;1.64;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM407776;MM407776;O=C(O)n1ncc(=O)o1;UTUZQSCRIVDODK-UHFFFAOYSA-N;130.06;-0.64;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP2_SP4";;;;;;;-2.29;;-9.64;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM407777;MM407777;C=CCc1nc(OC)n[nH]1;FZSSYSWSVZAZID-UHFFFAOYSA-N;139.16;0.54;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP1_SNda";;;;;;;0.04;;-2.73;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM407778;MM407778;C=CC(CC1CC1C)=NN;BHZBQXTULJXFKD-UHFFFAOYSA-N;138.21;1.53;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC5_C5";;;;;;;2.41;;0.64;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM407779;MM407779;CNNC(=N)C(CN)CO;ULPSHZUWQGFMOI-UHFFFAOYSA-N;146.19;-1.75;;;;;DOPC;MDCG;27;1;"MARTINI bead: P4_P2";;;;;;;-2.29;;-8.59;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM407780;MM407780;C#CC=COC(C#C)C=O;CWUXAKXTTUHWGE-UHFFFAOYSA-N;134.13;0.35;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_Na";;;;;;;0.87;;-2.22;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM407781;MM407781;N#CC(O)COCC(=O)O;JLDJSORACAFYSM-UHFFFAOYSA-N;145.11;-1.03;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_P1";;;;;;;-1.06;;-8.89;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM407782;MM407782;Cc1c(CN)ccn1C=O;ZLMNZVKDIFQUBF-UHFFFAOYSA-N;138.17;0.29;;;;;DOPC;MDCG;27;1;"MARTINI bead: SP1_SNa";;;;;;;0.04;;-3.76;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM407783;MM407783;CC#CC#CC(=NN)OC;CREXYAMZEOUVSK-UHFFFAOYSA-N;136.15;-0.07;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_C4";;;;;;;1.37;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM407784;MM407784;C=COc1n[nH]c(CC)n1;RMSDPKPFHFEGPY-UHFFFAOYSA-N;139.16;0.89;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNda_SNda";;;;;;;0.87;;-2.07;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM407785;MM407785;C=CCOC(C=NN)=NN;CNKDKNMRMKJPGM-UHFFFAOYSA-N;142.16;-0.59;;;;;DOPC;MDCG;27;0;"MARTINI bead: P3_C4";;;;;;;0.23;;-1.03;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM407786;MM407786;C=C(F)C(=NN)N(N)C=O;GIUHBYZERCTZNZ-UHFFFAOYSA-N;146.13;-0.93;;;;;DOPC;MDCG;27;0;"MARTINI bead: P4_C5";;;;;;;-0.41;;-2.78;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM407787;MM407787;C#CC=COC(C#C)C#N;BGCAQFVIDJHBKK-UHFFFAOYSA-N;131.13;0.68;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_N0";;;;;;;1.17;;-1.18;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM407788;MM407788;Cc1c(CO)ccn1C=O;MKCJDVUBGRCFSR-UHFFFAOYSA-N;139.15;0.33;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNda_SNa";;;;;;;0.87;;-1.99;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM407789;MM407789;CC1CC1CC(C=O)=NO;NFRBTQYTVGGLCO-UHFFFAOYSA-N;141.17;1.06;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC5_P1";;;;;;;0.81;;-0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM407790;MM407790;C=CCc1ccc(CC)o1;GSWVNTUBRTVLEI-UHFFFAOYSA-N;136.19;2.57;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC4_SC5";;;;;;;2.97;;0.45;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM407791;MM407791;CCC(CN)C(=O)NNC;PWSDELNMLVYFHY-UHFFFAOYSA-N;145.21;-0.78;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_P4";;;;;;;-1.19;;-6.57;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM407792;MM407792;C=CCc1noc(=NO)[nH]1;AZQKEMYUHYDKBG-UHFFFAOYSA-N;141.13;0.02;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP3_SNda";;;;;;;-1.1;;-8.45;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM407793;MM407793;C#CC=NOC(C#C)C=C;AIDFTOGNWFBGMF-UHFFFAOYSA-N;133.15;0.81;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_P1";;;;;;;0.81;;-0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM407794;MM407794;C=Cn1ccc(CC)c1N;DBOPKXQXTQURPX-UHFFFAOYSA-N;136.2;1.73;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC5_SNd";;;;;;;1.64;;0.02;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM407795;MM407795;C=CC(CC1CC1N)=NO;SAMJCOGNIPYGDP-UHFFFAOYSA-N;140.19;0.74;;;;;DOPC;MDCG;27;1;"MARTINI bead: SP1_Nda";;;;;;;0.04;;-5.3;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM407796;MM407796;CCc1ccc(CC#N)o1;OUKVHVQVGAMERE-UHFFFAOYSA-N;135.17;1.91;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC4_SN0";;;;;;;2.5;;0.44;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM407797;MM407797;CNNC(=O)C(CN)CN;GLNBUFNYXOBIKQ-UHFFFAOYSA-N;146.19;-2.23;;;;;DOPC;MDCG;27;1;"MARTINI bead: P4_P3";;;;;;;-3.15;;-8.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM407798;MM407798;C#CC1=C(C)CC(=CC)C1;TXXVDRIDWVCCLM-UHFFFAOYSA-N;132.21;2.68;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC3_SC5";;;;;;;3.34;;0.48;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM407799;MM407799;C=Cn1ccc(CN)c1N;WAFHIMLAPAIYCN-UHFFFAOYSA-N;137.19;0.63;;;;;DOPC;MDCG;27;1;"MARTINI bead: SP1_SNd";;;;;;;0.04;;-4.08;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM407800;MM407800;CNN=c1oc(N)c(N)o1;BGDSLQDLXSUEQI-UHFFFAOYSA-N;144.13;-0.93;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_SP3";;;;;;;-2.2;;-5.19;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM407801;MM407801;C=CC(C#N)C(C)=NN=C;CMWZFZJWIBTSIG-UHFFFAOYSA-N;135.17;1.39;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_N0";;;;;;;1.94;;0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM407802;MM407802;C=CCc1ccc(CO)o1;PNKHBXORYFSLKB-UHFFFAOYSA-N;138.17;1.5;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNda_SC5";;;;;;;1.64;;0.05;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM407803;MM407803;C#CC1=C(C)CC(=CF)C1;ILUGUYOYMLCEKC-UHFFFAOYSA-N;136.17;2.58;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC5_SC5";;;;;;;2.41;;0.64;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM407804;MM407804;CCC(CC)C(=N)NOC;NRVQJHVFFDQNJS-UHFFFAOYSA-N;144.22;1.55;;;;;DOPC;MDCG;27;1;"MARTINI bead: C1_P3";;;;;;;0.94;;-2.21;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM407805;MM407805;CCC1(O)CCC1C;DFWYHRDRGPNELK-UHFFFAOYSA-N;114.19;1.56;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNda_SC4";;;;;;;2.2;;0.49;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM407806;MM407806;C#CC(C#C)CC=CCC;HTCMTHOUHUKQSA-UHFFFAOYSA-N;132.21;2.23;;;;;DOPC;MDCG;27;0;"MARTINI bead: C3_C5";;;;;;;3.34;;0.48;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM407807;MM407807;C=CC(CC1CC1O)=NO;GCZZDLKRTUJSFH-UHFFFAOYSA-N;141.17;0.77;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda_SP1";;;;;;;0.04;;-2.73;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM407808;MM407808;N#CCc1ccc(CO)o1;OCMXLBNOLVMQHJ-UHFFFAOYSA-N;137.14;0.84;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNda_SN0";;;;;;;1.17;;-1.13;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM407809;MM407809;CCC(CF)C(=N)NOC;YZXSXXYWVGTYNH-UHFFFAOYSA-N;148.18;1.11;;;;;DOPC;MDCG;27;1;"MARTINI bead: C4_P3";;;;;;;0.23;;-2.78;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM407810;MM407810;C#CC1=C(C)CC(=NO)C1;IZBGSJXWKQVEDB-UHFFFAOYSA-N;135.17;1.56;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC5_SNda";;;;;;;1.64;;0.05;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM407811;MM407811;C=Cn1ccc(CF)c1N;HDLLBFPIZBDNLO-UHFFFAOYSA-N;140.16;1.64;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNa_SNd";;;;;;;0.87;;-1.88;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM407812;MM407812;N=c1nnc(=N)c(O)no1;KCPLIPMRQFTIFC-UHFFFAOYSA-N;141.09;-1.87;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP3_SP3";;;;;;;-3.07;;-10.21;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM407813;MM407813;C#CC(C#C)CC=CCO;KSUTZOUIFKGXOU-UHFFFAOYSA-N;134.18;0.81;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda_C5";;;;;;;1.64;;0.05;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM407814;MM407814;C=CCc1ccc(CF)o1;WVRRYTWHJPAEOP-UHFFFAOYSA-N;140.16;2.48;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC5_SC5";;;;;;;2.41;;0.64;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM407815;MM407815;CONC(=N)C(CO)CO;YDFDJCZIYCXONO-UHFFFAOYSA-N;148.16;-1.28;;;;;DOPC;MDCG;27;1;"MARTINI bead: P2_P3";;;;;;;-2.2;;-6.5;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM407816;MM407816;C#CC1=C(C)CC(=NC)N1;KOPQKRMNTNRCON-UHFFFAOYSA-N;134.18;0.92;;;;;DOPC;MDCG;27;1;"MARTINI bead: SN0_SNd";;;;;;;1.17;;-3.08;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM407817;MM407817;C#CC(C#C)CC=CCF;ZVHCRAJQYOUQKI-UHFFFAOYSA-N;136.17;1.78;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_C5";;;;;;;1.64;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM407818;MM407818;C=CC(CC1CC1F)=NN;NBNLIFLFYPAOFA-UHFFFAOYSA-N;142.18;1.24;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_SNa";;;;;;;1.64;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM407819;MM407819;CCc1ccn(C=N)c1N;KKGLPRCOQBMXTK-UHFFFAOYSA-N;137.19;1.09;;;;;DOPC;MDCG;27;1;"MARTINI bead: SC5_SP1";;;;;;;0.81;;-4.57;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM407820;MM407820;N#CCc1ccc(CF)o1;CDWOHIKOSHTNDP-UHFFFAOYSA-N;139.13;1.82;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC5_SN0";;;;;;;1.94;;0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM407821;MM407821;C#CC1=C(C)CC(NN)=N1;LUEOHPQXJMLQFG-UHFFFAOYSA-N;135.17;0.16;;;;;DOPC;MDCG;27;1;"MARTINI bead: SN0_SP1";;;;;;;0.34;;-2.66;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM407822;MM407822;CONC(=N)C(CF)CF;NDAOSJHTPCWPAE-UHFFFAOYSA-N;152.14;0.67;;;;;DOPC;MDCG;27;1;"MARTINI bead: P2_Na";;;;;;;-0.24;;-4.31;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM407823;MM407823;C=CC(CC1CC1F)=NO;MLEHKNMMILPBIH-UHFFFAOYSA-N;143.16;1.75;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda_SNa";;;;;;;0.87;;-1.99;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM407824;MM407824;N=Cn1ccc(CN)c1N;QALUFEQTXMMDTH-UHFFFAOYSA-N;138.17;-0.02;;;;;DOPC;MDCG;27;1;"MARTINI bead: SP1_SP1";;;;;;;-0.79;;-6.34;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM407825;MM407825;C#CC(C#C)CC=COC;NVELMBPTLMKEAN-UHFFFAOYSA-N;134.18;1.42;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_C5";;;;;;;1.64;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM407826;MM407826;C=CCc1ccc(NC)o1;BUENFFKYSBIYPW-UHFFFAOYSA-N;137.18;2.05;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNd_SC5";;;;;;;1.64;;0.02;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM407827;MM407827;O=CNN=CC(=O)O;SAHXXSVWNJMMOS-UHFFFAOYSA-N;116.08;-1.2;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_P2";;;;;;;-1.06;;-8.49;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM407828;MM407828;C#CC1=C(C)CC(=CC)O1;PYVJSCZIYRSNEM-UHFFFAOYSA-N;134.18;2.22;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC5_SNa";;;;;;;1.64;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM407829;MM407829;NN=C(C#CC(=O)O)CO;OCGAWIOXHCZRNE-UHFFFAOYSA-N;142.11;-1.62;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_P1";;;;;;;-1.06;;-8.56;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM407830;MM407830;N=Cn1ccc(CO)c1N;JCIDRRWZNBXMEQ-UHFFFAOYSA-N;139.16;0.02;;;;;DOPC;MDCG;27;1;"MARTINI bead: SNda_SP1";;;;;;;0.04;;-5.79;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM407831;MM407831;C#CC(C#C)CC=NNC;DXEKZGRBGNLNTD-UHFFFAOYSA-N;134.18;0.46;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_C5";;;;;;;0.54;;-1.09;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM407832;MM407832;CNc1ccc(CC#N)o1;UHQITVYNUCWCCX-UHFFFAOYSA-N;136.15;1.39;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNd_SN0";;;;;;;1.17;;-1.04;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM407833;MM407833;C=C(C)C(C=O)C=NOC;YBCIFEGGRGNPCN-UHFFFAOYSA-N;141.17;1.01;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_C5";;;;;;;0.54;;-1.09;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM407834;MM407834;O=CC(C#CC(=O)O)CO;KONKQEQOUUMJQI-UHFFFAOYSA-N;142.11;-1.12;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_P1";;;;;;;-1.06;;-8.49;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM407835;MM407835;C=CC(=NC)NC1CC1C;FHKGJMDZUDEWMV-UHFFFAOYSA-N;138.21;1.2;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_SC5";;;;;;;1.64;;-3.79;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM407836;MM407836;CCc1ccn(C=O)c1N;VSOPLTNHENEXKH-UHFFFAOYSA-N;138.17;0.67;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC5_SNda";;;;;;;1.64;;0.05;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM407837;MM407837;C#CC(C#C)CC=NOC;XRMHWMTZEXIKOO-UHFFFAOYSA-N;135.17;0.89;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_N0";;;;;;;1.17;;-1.18;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM407838;MM407838;C=CCc1ccc(OC)o1;TYMWASZYWPRDBI-UHFFFAOYSA-N;138.17;2.02;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNa_SC5";;;;;;;1.64;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM407839;MM407839;C=Nn1nc(F)c(N)c1N;IRBYFUCARXVLKF-UHFFFAOYSA-N;143.13;-0.35;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP1_SP1";;;;;;;-0.79;;-3.13;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM407840;MM407840;C=CC(=NC1CC1C)NN;CGXQBBKQFGNPOX-UHFFFAOYSA-N;139.2;0.44;;;;;DOPC;MDCG;27;1;"MARTINI bead: SC5_P1";;;;;;;0.81;;-2.72;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM407841;MM407841;CNNC(=N)C(CO)NC;IWOUINVASSCQQJ-UHFFFAOYSA-N;146.19;-1.73;;;;;DOPC;MDCG;27;1;"MARTINI bead: P4_P2";;;;;;;-2.29;;-7.64;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM407842;MM407842;Nc1c(CO)ccn1C=O;HOVAFGJHQILASW-UHFFFAOYSA-N;140.14;-0.4;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNda_SNda";;;;;;;0.87;;-2.07;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM407843;MM407843;CC(=N)n1oc(N)nc1=O;JXEKTHZHBQUEOB-UHFFFAOYSA-N;142.12;-0.74;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP2_SP1";;;;;;;-1.06;;-3.82;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM407844;MM407844;COc1ccc(CC#N)o1;UHXVGACXCLJJEC-UHFFFAOYSA-N;137.14;1.35;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNa_SN0";;;;;;;1.17;;-1.18;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM407845;MM407845;C=CC(=NC1CC1C)NO;HWNHFGHPSAAUKU-UHFFFAOYSA-N;140.19;0.96;;;;;DOPC;MDCG;27;1;"MARTINI bead: SC5_P1";;;;;;;0.81;;-1.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM407846;MM407846;C=Nn1[nH]nc(O)c1=O;UOVXNZHBZUMFHI-UHFFFAOYSA-N;128.09;-1.26;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP2_SP2";;;;;;;-1.34;;-9.41;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM407847;MM407847;C=Cn1ccc(CC)c1O;BGSPSAFMDJISCL-UHFFFAOYSA-N;137.18;1.86;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC5_SNda";;;;;;;1.64;;0.05;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM407848;MM407848;CCNC(=N)C(CN)OC;JILFDPUMZVIILV-UHFFFAOYSA-N;145.21;-0.45;;;;;DOPC;MDCG;27;1;"MARTINI bead: C5_P4";;;;;;;-0.41;;-5.95;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM407849;MM407849;N=c1nc(F)c(N)nn1N;BAPAKJJOERXGME-UHFFFAOYSA-N;144.11;-1.81;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP3_SP1";;;;;;;-1.93;;-4.72;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM407850;MM407850;C=COc1ccc(CC)o1;WHXXKMAZNCPHJI-UHFFFAOYSA-N;138.17;2.36;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC4_SC5";;;;;;;2.97;;0.45;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM407851;MM407851;N=c1nc(O)on1C=NO;MXUYJQPXDUKXKP-UHFFFAOYSA-N;144.09;-1.07;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP2_SP1";;;;;;;-1.06;;-8.89;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM407852;MM407852;CN=C(C=O)NC1CC1C;AILYKHUFURCGKB-UHFFFAOYSA-N;140.19;0.21;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_SC5";;;;;;;0.54;;-1.09;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM407853;MM407853;C=Cn1ccc(CN)c1O;UEGOLYDESHHQGQ-UHFFFAOYSA-N;138.17;0.75;;;;;DOPC;MDCG;27;1;"MARTINI bead: SP1_SNda";;;;;;;0.04;;-4.83;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM407854;MM407854;CCNC(=O)C(CO)OC;ZETBRTHEYXEFQW-UHFFFAOYSA-N;147.17;-0.87;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_P2";;;;;;;-1.06;;-3.82;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM407855;MM407855;CCC(C)=NN=C(N)C=O;DIIASBWMMJZPCT-UHFFFAOYSA-N;141.17;0.33;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1_P3";;;;;;;0.94;;0.03;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM407856;MM407856;C=CCc1cnc(CC)o1;KFJJUEXQFLMSBT-UHFFFAOYSA-N;137.18;1.97;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNa_SN0";;;;;;;1.17;;-1.18;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM407857;MM407857;C#Cc1oc(=NN)oc1F;SNWACACVTAOFED-UHFFFAOYSA-N;142.09;-0.23;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP1_P1";;;;;;;-0.79;;-3.13;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM407858;MM407858;CN=C(C#N)NC1CC1C;CDILGCKBRWNASA-UHFFFAOYSA-N;137.19;0.54;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_SC5";;;;;;;0.54;;-1.09;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM407859;MM407859;C=Cn1ccc(CO)c1O;OPLCDWRIMVNUOF-UHFFFAOYSA-N;139.15;0.79;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNda_SNda";;;;;;;0.87;;-2.07;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM407860;MM407860;CCC(OC)C(=N)NNC;IMKIABQGLLQPMY-UHFFFAOYSA-N;145.21;0.11;;;;;DOPC;MDCG;27;1;"MARTINI bead: C5_P3";;;;;;;-0.33;;-4.31;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM407861;MM407861;CC(CF)=NN=C(N)C=O;HSYSBZWPRLGHDN-UHFFFAOYSA-N;145.14;-0.11;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4_P3";;;;;;;0.23;;-1.03;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM407862;MM407862;CCc1ncc(CC#N)o1;VTKQKXYXFIJNMW-UHFFFAOYSA-N;136.15;1.3;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNa_SP1";;;;;;;0.04;;-2.54;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM407863;MM407863;CCc1ccn(C=N)c1O;ZDRTZMUJZSNYDQ-UHFFFAOYSA-N;138.17;1.21;;;;;DOPC;MDCG;27;1;"MARTINI bead: SC5_SNda";;;;;;;1.64;;-1.67;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM407864;MM407864;CCC1=C(C)C=C(CN)C1;ZEZICKGSBJULNT-UHFFFAOYSA-N;137.23;2;;;;;DOPC;MDCG;27;1;"MARTINI bead: SC1_SNd";;;;;;;2.91;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM407865;MM407865;C=CC1=CC(=O)N(C)CC1;MWQGNEIFDLXEAB-UHFFFAOYSA-N;137.18;0.96;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNda_SN0";;;;;;;1.17;;-1.13;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM407866;MM407866;CNNC(=N)C(CN)OC;FNONYIQUDSLFQH-UHFFFAOYSA-N;146.19;-1.34;;;;;DOPC;MDCG;27;1;"MARTINI bead: P4_P2";;;;;;;-2.29;;-7.92;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM407867;MM407867;C#CC(C#C)OC=CCC;IPSVRFZWCBQBCO-UHFFFAOYSA-N;134.18;1.56;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_N0";;;;;;;1.94;;0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM407868;MM407868;C=CCc1cnc(CO)o1;NTURBSYGECBNNR-UHFFFAOYSA-N;139.15;0.9;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP1_SN0";;;;;;;0.34;;-1.53;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM407869;MM407869;CCC1=C(C)C=C(OC)C1;LQXPZYKPDBRJJP-UHFFFAOYSA-N;138.21;2.65;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC1_SC5";;;;;;;3.68;;0.46;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM407870;MM407870;C#CC(C#C)OC=CCO;YMVHUTGPOYQPJE-UHFFFAOYSA-N;136.15;0.14;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda_Na";;;;;;;0.87;;-1.99;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM407871;MM407871;CN=c1nc(C)c(N)no1;MQKLHGIBVVXMFQ-UHFFFAOYSA-N;140.15;-0.51;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP2_SP3";;;;;;;-2.2;;-5.19;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM407872;MM407872;N=Cn1ccc(CN)c1O;ZTIAIJFXYONGFI-UHFFFAOYSA-N;139.16;0.11;;;;;DOPC;MDCG;27;1;"MARTINI bead: SP1_SNda";;;;;;;0.04;;-5.59;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM407873;MM407873;CNNC(=N)C(CO)OC;FINYAZGRMJONQI-UHFFFAOYSA-N;147.18;-1.31;;;;;DOPC;MDCG;27;1;"MARTINI bead: P4_P2";;;;;;;-2.29;;-7.67;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM407874;MM407874;N#CCc1cnc(CO)o1;YZWBYEQOFTYTNT-UHFFFAOYSA-N;138.13;0.23;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP1_SP1";;;;;;;-0.79;;-3.13;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM407875;MM407875;CNc1cnc(=O)n(N)n1;TVNQOKPBXQLEKL-UHFFFAOYSA-N;141.13;-1.61;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP1_SP3";;;;;;;-1.93;;-4.72;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM407876;MM407876;C#CC(C#C)OC=COC;QZBYPLGTWRCEKE-UHFFFAOYSA-N;136.15;0.76;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_Na";;;;;;;0.87;;-2.22;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM407877;MM407877;CC=COC(CC)=NNC;QPUHEGFFDBRLIP-UHFFFAOYSA-N;142.2;1.48;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nd_Na";;;;;;;0.87;;-1.88;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM407878;MM407878;C=CC(=NC)NC1CC1O;BLVFITSUGDPKJW-UHFFFAOYSA-N;140.19;-0.08;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_SP1";;;;;;;0.04;;-5.92;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM407879;MM407879;CCc1ccn(C=O)c1O;CKZIUONIIQDLFV-UHFFFAOYSA-N;139.15;0.79;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC5_SNda";;;;;;;1.64;;0.05;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM407880;MM407880;C=CCc1cnc(CF)o1;SVGCRVQMANZOOR-UHFFFAOYSA-N;141.15;1.87;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNa_SN0";;;;;;;1.17;;-1.18;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM407881;MM407881;CNn1nc(N)ncc1=N;FTNIXIHLRGNFIZ-UHFFFAOYSA-N;140.15;-1.49;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP3_SP2";;;;;;;-2.2;;-5.19;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM407882;MM407882;C=CC(=NN)NC1CC1O;JPPPGACEKRLXFA-UHFFFAOYSA-N;141.17;-0.83;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1_SP1";;;;;;;-0.79;;-4.18;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM407883;MM407883;CCc1[nH]c(OC)cc1C;XGBNWUSKJLFIEC-UHFFFAOYSA-N;139.2;1.89;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC4_SNa";;;;;;;2.2;;0.34;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM407884;MM407884;C#CC(C#C)ON=CCC;ACGJMMJIVQQBSX-UHFFFAOYSA-N;135.17;1.03;;;;;DOPC;MDCG;27;0;"MARTINI bead: N0_Na";;;;;;;1.17;;-1.18;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM407885;MM407885;C=Cn1ccc(CC)c1F;WBRKNQLRWQBRCZ-UHFFFAOYSA-N;139.17;2.29;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC5_SC5";;;;;;;2.41;;0.64;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM407886;MM407886;N#CCc1cnc(CF)o1;CGBIXZRRYJVSHV-UHFFFAOYSA-N;140.12;1.21;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNa_SP1";;;;;;;0.04;;-2.54;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM407887;MM407887;CCC(C#N)OC=NNC;KWYKFSSVWNFRJF-UHFFFAOYSA-N;141.17;0.47;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_P1";;;;;;;0.81;;-0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM407888;MM407888;N=CN=c1ncc(N)no1;KGOFHERJALKVNP-UHFFFAOYSA-N;139.12;-0.84;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP3_SP3";;;;;;;-3.07;;-6.15;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM407889;MM407889;C#CC(C#C)CC=CC=C;CYXHABVMMKKXPQ-UHFFFAOYSA-N;130.19;2;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1_N0";;;;;;;3.21;;0.46;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM407890;MM407890;C=Cn1ccc(CN)c1F;JOMVLVKDLJLWIU-UHFFFAOYSA-N;140.16;1.19;;;;;DOPC;MDCG;27;1;"MARTINI bead: SP1_SC5";;;;;;;0.81;;-1.82;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM407891;MM407891;C=CC1=CC(C)=C(CC)C1;SNKPBBVDUFLZRX-UHFFFAOYSA-N;134.22;3.23;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC1_SC4";;;;;;;4.24;;0.42;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM407892;MM407892;C=CC=C(C)OC=NN;RXPGQFWJJSLIGD-UHFFFAOYSA-N;126.16;0.99;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1_P3";;;;;;;0.94;;0.03;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM407893;MM407893;NC(=O)C#CC(O)C(=O)O;AXYVZOQFLSYCHK-UHFFFAOYSA-N;143.1;-2.08;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_P2";;;;;;;-1.34;;-8.99;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM407894;MM407894;C#CC(C#C)CC=CC#N;FJQVGYAVJWZHOC-UHFFFAOYSA-N;129.16;1.34;;;;;DOPC;MDCG;27;0;"MARTINI bead: N0_N0";;;;;;;1.47;;-0.05;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM407895;MM407895;Nc1cnc(=NC=O)on1;YJFZOXKJCOWAEL-UHFFFAOYSA-N;140.1;-1.29;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP3_SP3";;;;;;;-3.07;;-6.15;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM407896;MM407896;CCC1=C(C)C=C(C#N)C1;FZNCVSOKHRIZAH-UHFFFAOYSA-N;133.19;2.57;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC1_SN0";;;;;;;3.21;;0.46;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM407897;MM407897;C=Cn1ccc(NC)c1C;JBSPOSUURPEONY-UHFFFAOYSA-N;136.2;1.94;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNd_SC5";;;;;;;1.64;;0.02;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM407898;MM407898;CNc1ncc(CC#N)o1;MDBZWCWLOCHYQC-UHFFFAOYSA-N;137.14;0.78;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNda_SP1";;;;;;;0.04;;-2.73;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM407899;MM407899;C#CC(C#C)CC=NN=C;KZFCRYBJLVFPMH-UHFFFAOYSA-N;132.17;0.95;;;;;DOPC;MDCG;27;0;"MARTINI bead: N0_C5";;;;;;;1.94;;0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM407900;MM407900;C=C(OCC)C(CC)CC;IFHYMDFPSPLCGK-UHFFFAOYSA-N;142.24;2.97;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_C1";;;;;;;3.68;;0.46;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM407901;MM407901;C=CC1=CC(C)=C(CN)C1;JFGVULSXKHFLPF-UHFFFAOYSA-N;135.21;1.78;;;;;DOPC;MDCG;27;1;"MARTINI bead: SNd_SC4";;;;;;;2.2;;-1.64;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM407902;MM407902;C=NN=c1ncc(N)no1;IVOATDROPCCZGZ-UHFFFAOYSA-N;139.12;-0.83;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP3_SP2";;;;;;;-2.2;;-5.19;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM407903;MM407903;CNc1ccn(C=N)c1C;DJNWCUABZVLDMW-UHFFFAOYSA-N;137.19;1.29;;;;;DOPC;MDCG;27;1;"MARTINI bead: SNd_SNd";;;;;;;0.87;;-7.3;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM407904;MM407904;C=CCc1cnc(OC)o1;NJIALSHQVYSKEQ-UHFFFAOYSA-N;139.15;1.41;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNa_SN0";;;;;;;1.17;;-1.18;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM407905;MM407905;C#CC(C#C)NC=CC#N;AKLXLYIKEVJLTN-UHFFFAOYSA-N;130.15;0.25;;;;;DOPC;MDCG;27;0;"MARTINI bead: N0_P1";;;;;;;0.34;;-1.53;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM407906;MM407906;CCc1[nH]c(C#N)cc1C;XEOOXHWFWAFHEX-UHFFFAOYSA-N;134.18;1.76;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC4_SNd";;;;;;;2.2;;0.32;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM407907;MM407907;O=CC(=NO)NC1CC1O;QZCXUZRJWSJRBV-UHFFFAOYSA-N;144.13;-1.3;;;;;DOPC;MDCG;27;0;"MARTINI bead: P3_SP1";;;;;;;-1.93;;-4.72;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM407908;MM407908;C=C(OCC)C(CC)CN;JIDGPKDMXNAKIS-UHFFFAOYSA-N;143.23;1.52;;;;;DOPC;MDCG;27;1;"MARTINI bead: C5_Nd";;;;;;;1.64;;-2.59;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM407909;MM407909;CNc1ccn(C=O)c1C;BULXVMMHORFZAH-UHFFFAOYSA-N;138.17;0.88;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNd_SNa";;;;;;;0.87;;-1.88;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM407910;MM407910;COc1ncc(CC#N)o1;ACPILQDKEZHBIU-UHFFFAOYSA-N;138.13;0.75;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNa_SP1";;;;;;;0.04;;-2.54;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM407911;MM407911;C=CC(C)=NN=C(N)C=O;BLFXRCNCRFDQLW-UHFFFAOYSA-N;139.16;0.1;;;;;DOPC;MDCG;27;0;"MARTINI bead: C3_P3";;;;;;;0.6;;-0.8;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM407912;MM407912;C=CC(=NC)NC1CC1F;XHSKVGVMUFOFCE-UHFFFAOYSA-N;142.18;0.9;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_SNa";;;;;;;0.87;;-5.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM407913;MM407913;C=C(OCC)C(CN)CN;GOHGPMNERVNTRZ-UHFFFAOYSA-N;144.22;0.07;;;;;DOPC;MDCG;27;1;"MARTINI bead: C5_P3";;;;;;;-0.33;;-4.62;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM407914;MM407914;C#CC1=CC(C)=C(CC)C1;VTGFZQWGCUFQEY-UHFFFAOYSA-N;132.21;2.68;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC1_SC5";;;;;;;3.68;;0.46;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM407915;MM407915;C=Cn1ccc(NC)c1N;FGHZONWKSMJZEJ-UHFFFAOYSA-N;137.19;1.21;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNd_SNd";;;;;;;0.87;;-2.11;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM407916;MM407916;C=CCc1ncc(CC)o1;RTYKAKCFTVQUJO-UHFFFAOYSA-N;137.18;1.97;;;;;DOPC;MDCG;27;0;"MARTINI bead: SN0_SNa";;;;;;;1.17;;-1.18;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM407917;MM407917;CC1=NNC(=CC#N)CC1;ZBNCPXJBZFGWGY-UHFFFAOYSA-N;135.17;1.15;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP1_SNd";;;;;;;0.04;;-2.63;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM407918;MM407918;C#CC1(C)CN1C(C)C=O;VEBVJUSFNRPSFH-UHFFFAOYSA-N;137.18;0.28;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_SP1";;;;;;;0.04;;-2.54;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM407919;MM407919;C=C(OCC)C(CN)CF;CNFXFAOMHMOWFQ-UHFFFAOYSA-N;147.19;1.08;;;;;DOPC;MDCG;27;1;"MARTINI bead: C5_P1";;;;;;;0.81;;-3.1;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM407920;MM407920;C#CC1=CC(C)=C(CN)C1;XJCBTCPCNHFOEG-UHFFFAOYSA-N;133.19;1.22;;;;;DOPC;MDCG;27;1;"MARTINI bead: SNd_SC5";;;;;;;1.64;;-2.11;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM407921;MM407921;CNc1ccn(C=N)c1N;KKKLPNMJZKSOAE-UHFFFAOYSA-N;138.17;0.57;;;;;DOPC;MDCG;27;1;"MARTINI bead: SNd_SP1";;;;;;;0.04;;-7.75;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM407922;MM407922;CCc1cnc(CC#N)o1;VINSJPYQHLKWFY-UHFFFAOYSA-N;136.15;1.3;;;;;DOPC;MDCG;27;0;"MARTINI bead: SN0_SNa";;;;;;;1.17;;-1.18;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM407923;MM407923;CN=C(C=O)NC1CC1F;GPEMGJNVUXKAIC-UHFFFAOYSA-N;144.15;-0.09;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_SNa";;;;;;;-0.24;;-3.24;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM407924;MM407924;C=CC1(C=C)CC1C(C)O;KSGVCPSHJNTPJK-UHFFFAOYSA-N;138.21;1.75;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_SC4";;;;;;;1.37;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM407925;MM407925;CCOC(=O)C(CC)CC;MJGSLNIPTRPYJV-UHFFFAOYSA-N;144.21;1.99;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_C1";;;;;;;2.91;;0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM407926;MM407926;C=CC1=C(C)C=C(CO)C1;OIONZAPIIJLUSI-UHFFFAOYSA-N;136.19;1.81;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC3_SNda";;;;;;;2.57;;0.44;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM407927;MM407927;CNc1ccn(C=O)c1N;GYTFZPWZQVRNCR-UHFFFAOYSA-N;139.16;0.15;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNd_SNda";;;;;;;0.87;;-1.92;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM407928;MM407928;N=c1nnc(=NN)nco1;HAJDJSZZGGLXTD-UHFFFAOYSA-N;140.11;-2.28;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP3_SP3";;;;;;;-3.07;;-6.15;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM407929;MM407929;C=CCc1ncc(CO)o1;YCJUTEUZAUYVND-UHFFFAOYSA-N;139.15;0.9;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP1_SNa";;;;;;;0.04;;-2.54;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM407930;MM407930;C=CC1=C(C)C=C(CF)C1;NOBMPRHNJOJSHL-UHFFFAOYSA-N;138.19;2.79;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC3_SC5";;;;;;;3.34;;0.48;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM407931;MM407931;CCOC(=O)C(CC)CN;XDXLAPISJVHRKE-UHFFFAOYSA-N;145.2;0.53;;;;;DOPC;MDCG;27;1;"MARTINI bead: Na_Nd";;;;;;;0.87;;-3.78;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM407932;MM407932;C#CC(C#C)OC=CC=C;QYRRKFXUFCSMEN-UHFFFAOYSA-N;132.16;1.34;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_N0";;;;;;;1.17;;-1.18;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM407933;MM407933;C=Cn1ccc(NC)c1O;MNZSQBLCXMINCZ-UHFFFAOYSA-N;138.17;1.34;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNd_SNda";;;;;;;0.87;;-1.92;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM407934;MM407934;C=CC(=CC)OC1CC1C;AZDGLGLLVYVMQM-UHFFFAOYSA-N;138.21;2.5;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_SC5";;;;;;;2.41;;0.64;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM407935;MM407935;N#CCc1ncc(CO)o1;CYPRNRDHOKHRGN-UHFFFAOYSA-N;138.13;0.23;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP1_SNa";;;;;;;0.04;;-2.54;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM407936;MM407936;C=CC1=C(C)C=C(OC)C1;NGECIZRAWRGAQX-UHFFFAOYSA-N;136.19;2.42;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC5_SC3";;;;;;;3.34;;0.48;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM407937;MM407937;C#CC(C#C)OC=CC=O;UOKPWUXKGGPPGN-UHFFFAOYSA-N;134.13;0.35;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_Na";;;;;;;0.87;;-2.22;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM407938;MM407938;CCOC(=O)C(CC)CO;TWLWLMUHNWWUTE-UHFFFAOYSA-N;146.19;0.57;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_Nda";;;;;;;0.87;;-1.99;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM407939;MM407939;C=Cn1ccc(OC)c1C;IERDOYKXDJKFBF-UHFFFAOYSA-N;137.18;1.91;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNa_SC5";;;;;;;1.64;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM407940;MM407940;C=CC(=CF)OC1CC1C;HOBRPWRKGSAJQF-UHFFFAOYSA-N;142.17;2.41;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC5_Na";;;;;;;1.64;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM407941;MM407941;C=CCc1ncc(CF)o1;DJGUZWPNZDQMMW-UHFFFAOYSA-N;141.15;1.87;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNa_SNa";;;;;;;0.87;;-2.22;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM407942;MM407942;C=Cc1[nH]c(CC)cc1C;ALWPZOYTVPNMEL-UHFFFAOYSA-N;135.21;2.53;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC5_SC5";;;;;;;2.41;;0.64;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM407943;MM407943;CCOC(=O)C(CC)CF;IPGOKXGHSMNKPZ-UHFFFAOYSA-N;148.18;1.55;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_C4";;;;;;;2.2;;0.34;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM407944;MM407944;C#CC(C#C)OC=CC#N;BFZOHNOXJINEFK-UHFFFAOYSA-N;131.13;0.68;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_N0";;;;;;;1.17;;-1.18;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM407945;MM407945;COc1ccn(C=N)c1C;NUQLXTQQKXUVLC-UHFFFAOYSA-N;138.17;1.26;;;;;DOPC;MDCG;27;1;"MARTINI bead: SNa_SNd";;;;;;;0.87;;-4.91;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM407946;MM407946;CC=C(C=O)OC1CC1C;QKFZJYJBJAHIJR-UHFFFAOYSA-N;140.18;1.51;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_SC5";;;;;;;0.81;;-0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM407947;MM407947;N#CCc1ncc(CF)o1;GTXIAAMEBFRROZ-UHFFFAOYSA-N;140.12;1.21;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNa_SNa";;;;;;;0.87;;-2.22;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM407948;MM407948;C=Cc1[nH]c(CN)cc1C;JSQYPJTUKVYNKK-UHFFFAOYSA-N;136.2;1.42;;;;;DOPC;MDCG;27;1;"MARTINI bead: SP1_SC5";;;;;;;0.81;;-1.91;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM407949;MM407949;C=C(OCC)C(CC)NC;XMXVQFMEJXOTID-UHFFFAOYSA-N;143.23;1.53;;;;;DOPC;MDCG;27;1;"MARTINI bead: C5_Nd";;;;;;;1.64;;-1.65;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM407950;MM407950;C#CC(C#C)OC=NN=C;PRAQITWZXPXFFQ-UHFFFAOYSA-N;134.14;0.28;;;;;DOPC;MDCG;27;0;"MARTINI bead: N0_Na";;;;;;;1.17;;-1.18;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM407951;MM407951;COc1ccn(C=O)c1C;KZRUDDSTUSDITD-UHFFFAOYSA-N;139.15;0.84;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNa_SNa";;;;;;;0.87;;-2.22;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM407952;MM407952;CC=C(C#N)OC1CC1C;XJWCPJTYIMOXMY-UHFFFAOYSA-N;137.18;1.84;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_SC5";;;;;;;1.64;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM407953;MM407953;CC(OC=NN)C(F)F;GWVNCKAOXXBPIT-UHFFFAOYSA-N;138.12;0.56;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda_N0";;;;;;;1.17;;-1.13;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM407954;MM407954;C#CC(C#C)ON=CC=C;IUCBNSDLCAPNOS-UHFFFAOYSA-N;133.15;0.81;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_N0";;;;;;;1.17;;-1.18;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM407955;MM407955;C=Cc1[nH]c(CO)cc1C;CQSZMJSWEBDKLK-UHFFFAOYSA-N;137.18;1.46;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNda_SC5";;;;;;;1.64;;0.05;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM407956;MM407956;C=C(OCC)C(CC)OC;VIOXKBSKHPCIQL-UHFFFAOYSA-N;144.21;1.96;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_Na";;;;;;;1.64;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM407957;MM407957;C=Cn1ccc(OC)c1N;LDEVSIZKGKUGCH-UHFFFAOYSA-N;138.17;1.18;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNa_SNd";;;;;;;0.87;;-1.88;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM407958;MM407958;CNc1cnc(CC#N)o1;RTROAHLNRDOTTC-UHFFFAOYSA-N;137.14;0.78;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNd_SNa";;;;;;;0.87;;-1.88;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM407959;MM407959;C#CC(C#C)ON=CC=O;CHSNNLHYHBDONG-UHFFFAOYSA-N;135.12;-0.18;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_N0";;;;;;;0.34;;-1.53;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM407960;MM407960;CC1CC1OC(C=O)=CN;AQQVKIVNNQQMHH-UHFFFAOYSA-N;141.17;0.41;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC5_P3";;;;;;;-0.33;;-2.01;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM407961;MM407961;C=Cc1[nH]c(CN)cc1N;QQFSBVMJKHKVCK-UHFFFAOYSA-N;137.19;0.7;;;;;DOPC;MDCG;27;1;"MARTINI bead: SP1_SNd";;;;;;;0.04;;-3.98;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM407962;MM407962;C=C(OCC)C(CO)OC;LGKRWZMUQBMWML-UHFFFAOYSA-N;146.19;0.54;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_P2";;;;;;;0.54;;-1.09;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM407963;MM407963;COc1ccn(C=N)c1N;QNVCPDWLTCRLGT-UHFFFAOYSA-N;139.16;0.53;;;;;DOPC;MDCG;27;1;"MARTINI bead: SNa_SP1";;;;;;;0.04;;-5.57;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM407964;MM407964;C=CCc1ncc(OC)o1;AUDQVMYNTANEJM-UHFFFAOYSA-N;139.15;1.41;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNa_SNa";;;;;;;0.87;;-2.22;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM407965;MM407965;CC1CC1OC(C#N)=CN;MLJFSBHBMDMQOF-UHFFFAOYSA-N;138.17;0.74;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC5_P2";;;;;;;0.54;;-1.09;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM407966;MM407966;C#CC=CCC(C#C)C#C;RAVLOPICRATIOP-UHFFFAOYSA-N;128.17;1.45;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4_N0";;;;;;;2.5;;0.44;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM407967;MM407967;CCOC(=O)C(CC)OC;GLEMXNLSKLWVSW-UHFFFAOYSA-N;146.19;0.97;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_Na";;;;;;;0.87;;-2.22;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM407968;MM407968;CC#CC1COC(NN)=N1;VHBSBMNKZFJWIY-UHFFFAOYSA-N;139.16;-0.77;;;;;DOPC;MDCG;27;0;"MARTINI bead: SN0_SP2";;;;;;;0.06;;-2.21;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM407969;MM407969;C=Cn1ccc(OC)c1O;MFNKLVYZKSBMCV-UHFFFAOYSA-N;139.15;1.3;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNa_SNda";;;;;;;0.87;;-1.99;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM407970;MM407970;COc1cnc(CC#N)o1;LUZIQIBMVFNOLW-UHFFFAOYSA-N;138.13;0.75;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNa_SNa";;;;;;;0.87;;-2.22;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM407971;MM407971;CC1CC1OC(C#N)=CF;ILCHBLJAKWRSFG-UHFFFAOYSA-N;141.15;1.75;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC5_Na";;;;;;;1.64;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM407972;MM407972;C#CC=COC(C#C)C#C;PGSXJAIIEGTMMF-UHFFFAOYSA-N;130.15;0.78;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_N0";;;;;;;1.17;;-1.18;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM407973;MM407973;C=CC=NNC(C=O)=NC;ABUHZUJJKPAMMC-UHFFFAOYSA-N;139.16;-0.03;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_Nd";;;;;;;0.87;;-1.88;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM407974;MM407974;CC1(CC2NC2C=O)CO1;LHENAYYYNPCQCR-UHFFFAOYSA-N;141.17;-0.3;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNa_SP2";;;;;;;-0.24;;-3.24;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM407975;MM407975;C=Nn1ccc(CC)c1C;JAVNFOCGESGCDK-UHFFFAOYSA-N;136.2;1.82;;;;;DOPC;MDCG;27;1;"MARTINI bead: SC5_SN0";;;;;;;1.94;;-0.42;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM407976;MM407976;C=CCc1nnc(CC)o1;MQPUAHWXUUYGTQ-UHFFFAOYSA-N;138.17;1.36;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNa_SNa";;;;;;;0.87;;-2.22;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM407977;MM407977;CCC#CCC(CC)CC;KRQGAHNVQDIRCJ-UHFFFAOYSA-N;138.25;3.23;;;;;DOPC;MDCG;27;0;"MARTINI bead: C3_C1";;;;;;;4.61;;0.31;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM407978;MM407978;C=CC(=CC)OC1CC1N;VXPNEUKMYHSGKS-UHFFFAOYSA-N;139.2;1.19;;;;;DOPC;MDCG;27;1;"MARTINI bead: C5_SP1";;;;;;;0.81;;-2.3;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM407979;MM407979;C=Cc1[nH]c(OC)cc1C;HSHNTWGYQHUJAA-UHFFFAOYSA-N;137.18;1.97;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNda_SC5";;;;;;;1.64;;0.05;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM407980;MM407980;CCN(NC)C(=N)COC;RTUJASNWCDHYOC-UHFFFAOYSA-N;145.21;0.07;;;;;DOPC;MDCG;27;1;"MARTINI bead: C5_P3";;;;;;;-0.33;;-3.95;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM407981;MM407981;C=Nn1ccc(CN)c1C;LWMYUGUEUGODLX-UHFFFAOYSA-N;137.19;0.72;;;;;DOPC;MDCG;27;1;"MARTINI bead: SP1_SN0";;;;;;;0.34;;-3.44;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM407982;MM407982;CCc1nnc(CC#N)o1;AZPZFQDMYZOMEE-UHFFFAOYSA-N;137.14;0.7;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNa_SP1";;;;;;;0.04;;-2.54;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM407983;MM407983;CCC(CC)CC#CCN;KMEXQNRAVYYTQQ-UHFFFAOYSA-N;139.24;1.77;;;;;DOPC;MDCG;27;1;"MARTINI bead: C1_Nd";;;;;;;2.91;;0.38;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM407984;MM407984;N#CC(=N)NC1CC1C#N;MHYNGSFCCHUFCO-UHFFFAOYSA-N;134.14;-0.01;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_SN0";;;;;;;0.06;;-2.21;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM407985;MM407985;C=CC(=CF)OC1CC1N;LJVAOYLIHHLIDI-UHFFFAOYSA-N;143.16;1.1;;;;;DOPC;MDCG;27;1;"MARTINI bead: SP1_Na";;;;;;;0.04;;-4.35;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM407986;MM407986;C=Cc1oc(CC)cc1C;UJMBXQMXGZYMQV-UHFFFAOYSA-N;136.19;2.79;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC4_SC4";;;;;;;3.53;;0.53;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM407987;MM407987;C=Nn1ccc(CO)c1C;HORGQLPUXPNKJC-UHFFFAOYSA-N;138.17;0.75;;;;;DOPC;MDCG;27;1;"MARTINI bead: SNda_SN0";;;;;;;1.17;;-2.54;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM407988;MM407988;C=CCc1nnc(CO)o1;PHGKAGCQCHXJMD-UHFFFAOYSA-N;140.14;0.29;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP2_SNa";;;;;;;-0.24;;-3.24;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM407989;MM407989;CCC(CC)CC#CCO;SIXSDTYUJSPISS-UHFFFAOYSA-N;140.23;1.81;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1_P2";;;;;;;1.8;;0.4;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM407990;MM407990;CCCC(=N)N(CC)OC;XQFGUEBPHOPEPC-UHFFFAOYSA-N;144.22;1.65;;;;;DOPC;MDCG;27;1;"MARTINI bead: N0_Na";;;;;;;1.17;;-3.02;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM407991;MM407991;C=Cc1oc(NC)cc1C;HLRCOSXXFDUBNY-UHFFFAOYSA-N;137.18;2.27;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNd_SC4";;;;;;;2.2;;0.32;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM407992;MM407992;C=CC(=CC)OC1CC1O;USTHKPGCRGLVLI-UHFFFAOYSA-N;140.18;1.23;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_SP1";;;;;;;0.81;;-0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM407993;MM407993;C=Nn1ccc(CF)c1C;FUFOBPOUJRSADE-UHFFFAOYSA-N;140.16;1.73;;;;;DOPC;MDCG;27;1;"MARTINI bead: SNa_SN0";;;;;;;1.17;;-2.56;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM407994;MM407994;N#CCc1nnc(CO)o1;KEKDMRIMECTSMI-UHFFFAOYSA-N;139.11;-0.37;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP2_SP1";;;;;;;-1.06;;-3.82;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM407995;MM407995;CCC(CC)CC#CCF;PTYZEOMQTJMNCB-UHFFFAOYSA-N;142.22;2.79;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1_Na";;;;;;;2.91;;0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM407996;MM407996;CCN(OC)C(=O)CCF;VDUVHLRCTGOQHS-UHFFFAOYSA-N;149.17;0.76;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_Na";;;;;;;0.87;;-2.22;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM407997;MM407997;C=Cc1oc(OC)cc1C;NZFGGQAAQWVRBB-UHFFFAOYSA-N;138.17;2.24;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNa_SC4";;;;;;;2.2;;0.34;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM407998;MM407998;C=CC(=CF)OC1CC1O;VBYVUTVHFNTLTJ-UHFFFAOYSA-N;144.15;1.13;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP1_Na";;;;;;;0.04;;-2.54;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM407999;MM407999;C=Nn1ccc(CC)c1N;JIWDKWKBWILNSJ-UHFFFAOYSA-N;137.19;1.1;;;;;DOPC;MDCG;27;1;"MARTINI bead: SC5_SNd";;;;;;;1.64;;-1.23;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM408000;MM408000;CCC#CCC(CC)CN;UWFVONAJULAXBC-UHFFFAOYSA-N;139.24;1.77;;;;;DOPC;MDCG;27;1;"MARTINI bead: C3_Nd";;;;;;;2.57;;-1.5;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM408001;MM408001;CCN(OC)C(=O)CNC;WVKPUGPFTHTSIY-UHFFFAOYSA-N;146.19;-0.38;;;;;DOPC;MDCG;27;1;"MARTINI bead: Na_P2";;;;;;;-0.24;;-4.45;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM408002;MM408002;C=CC1=CC(C)=C(C=C)C1;DUHPDTRKNWOUPT-UHFFFAOYSA-N;132.21;3.01;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC3_SC4";;;;;;;3.9;;0.47;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM408003;MM408003;CC=C(C=O)OC1CC1O;YVMUHOODPWSZEI-UHFFFAOYSA-N;142.15;0.24;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_SP1";;;;;;;-0.79;;-3.13;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM408004;MM408004;C=CCc1nnc(CF)o1;JOTLOQJTSQAHSW-UHFFFAOYSA-N;142.13;1.27;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP1_SNa";;;;;;;0.04;;-2.54;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM408005;MM408005;C=Nn1ccc(CN)c1N;SDUWVLSXAVOCJZ-UHFFFAOYSA-N;138.17;-0.01;;;;;DOPC;MDCG;27;1;"MARTINI bead: SP1_SNd";;;;;;;0.04;;-4.15;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM408006;MM408006;CCC(CN)CC#CCN;ABNDCFIDXWXMFX-UHFFFAOYSA-N;140.23;0.32;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_Nd";;;;;;;0.87;;-4.92;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM408007;MM408007;CCNC(=N)N(CC)CC;AYRCKUXVQHNYRW-UHFFFAOYSA-N;143.23;0.87;;;;;DOPC;MDCG;27;1;"MARTINI bead: C5_P1";;;;;;;0.81;;-5.87;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM408008;MM408008;C=CC1=C(C)C=C(C=O)C1;DLOYBYVUAGPCFW-UHFFFAOYSA-N;134.18;2.02;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC3_SNa";;;;;;;2.57;;0.45;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM408009;MM408009;N#CCc1nnc(CF)o1;UYOMUXCVOHRUHY-UHFFFAOYSA-N;141.11;0.61;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP1_SP1";;;;;;;-0.79;;-3.13;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM408010;MM408010;CC=C(C#N)OC1CC1O;FQMIICHCAHFSRZ-UHFFFAOYSA-N;139.15;0.56;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_SP1";;;;;;;0.04;;-2.54;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM408011;MM408011;C=Nn1ccc(CO)c1N;XVAPNKHPYFDDKZ-UHFFFAOYSA-N;139.16;0.03;;;;;DOPC;MDCG;27;1;"MARTINI bead: SNda_SNd";;;;;;;0.87;;-3.02;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM408012;MM408012;CCN(NC)C(=N)NOC;CNZRLDCMDDVKDL-UHFFFAOYSA-N;146.19;-0.47;;;;;DOPC;MDCG;27;1;"MARTINI bead: C5_P3";;;;;;;-0.33;;-4.81;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM408013;MM408013;C=CCc1nnc(NC)o1;AMEVPXRFLYFIGU-UHFFFAOYSA-N;139.16;0.84;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP1_SNa";;;;;;;0.04;;-2.54;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM408014;MM408014;C=CC1=C(C)C=C(C#N)C1;AYUZATSXXWBSAH-UHFFFAOYSA-N;131.18;2.34;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC3_SN0";;;;;;;2.87;;0.37;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM408015;MM408015;CCC(CN)CC#CCO;SNXHKUBEALVRDC-UHFFFAOYSA-N;141.21;0.36;;;;;DOPC;MDCG;27;1;"MARTINI bead: C5_P2";;;;;;;0.54;;-3.85;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM408016;MM408016;NN=c1occ(N)oc1=O;WXRQXGHMQVPNRT-UHFFFAOYSA-N;143.1;-1.41;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP1_SP2";;;;;;;-1.06;;-3.82;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM408017;MM408017;C=Nn1ccc(CN)c1O;UTNMVMUWWLXWNX-UHFFFAOYSA-N;139.16;0.12;;;;;DOPC;MDCG;27;1;"MARTINI bead: SP1_SNda";;;;;;;0.04;;-5.37;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM408018;MM408018;CCN(OC)C(=N)NNC;YMIUFAFNJLYHLD-UHFFFAOYSA-N;146.19;-0.47;;;;;DOPC;MDCG;27;1;"MARTINI bead: C5_P3";;;;;;;-0.33;;-4.7;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM408019;MM408019;CCC(CN)CC#CCF;SJESXBICAJNIKL-UHFFFAOYSA-N;143.21;1.33;;;;;DOPC;MDCG;27;1;"MARTINI bead: C5_Na";;;;;;;1.64;;-2.71;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM408020;MM408020;CC1=C(C#N)CC(C=O)=C1;IJIAIERVYSIVMM-UHFFFAOYSA-N;133.15;1.36;;;;;DOPC;MDCG;27;0;"MARTINI bead: SN0_SNa";;;;;;;1.17;;-1.18;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM408021;MM408021;CNc1nnc(CC#N)o1;MAGJBQBAEKGSGV-UHFFFAOYSA-N;138.13;0.18;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP1_SP1";;;;;;;-0.79;;-3.13;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM408022;MM408022;N#CC(=CF)OC1CC1O;YJBFHRNKSQOANQ-UHFFFAOYSA-N;143.12;0.47;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP1_Na";;;;;;;0.04;;-2.54;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM408023;MM408023;C=Nn1ccc(NC)c1C;ZCCKYVNDXJEWFQ-UHFFFAOYSA-N;137.19;1.3;;;;;DOPC;MDCG;27;1;"MARTINI bead: SNd_SN0";;;;;;;1.17;;-3.11;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM408024;MM408024;Cn1nc(N)cnc1=NN;MOWZDONDMSBLFQ-UHFFFAOYSA-N;140.15;-1.83;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP2_SP2";;;;;;;-1.34;;-4.31;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM408025;MM408025;C=CC1(C=C)CCC(O)C1;PXQBRCMZYSWMEK-UHFFFAOYSA-N;138.21;1.89;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNda_SC2";;;;;;;2.83;;0.57;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM408026;MM408026;CC1=C(C#N)CC(C#N)=C1;QSGDIJGXTADJGC-UHFFFAOYSA-N;130.15;1.68;;;;;DOPC;MDCG;27;0;"MARTINI bead: SN0_SN0";;;;;;;1.47;;-0.05;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM408027;MM408027;C=CCc1nnc(OC)o1;QVLYSMHUWQJCKC-UHFFFAOYSA-N;140.14;0.81;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP1_SNa";;;;;;;0.04;;-2.54;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM408028;MM408028;C=CC(=CC)OC1CC1F;HLSMTYBOUQLRKP-UHFFFAOYSA-N;142.17;2.2;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_SNa";;;;;;;1.64;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM408029;MM408029;C=Nn1ccc(NC)c1N;OYYKPRCSZRZKHG-UHFFFAOYSA-N;138.17;0.58;;;;;DOPC;MDCG;27;1;"MARTINI bead: SNd_SNd";;;;;;;0.87;;-3.85;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM408030;MM408030;CCC(CO)CC#CCN;MWUPLFMNPSKNQI-UHFFFAOYSA-N;141.21;0.36;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nda_Nd";;;;;;;0.87;;-3.43;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM408031;MM408031;C=Cc1cc(C)c(C=C)[nH]1;JRCKECRSLPSLEP-UHFFFAOYSA-N;133.19;2.61;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNd_SC5";;;;;;;1.64;;0.02;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM408032;MM408032;CCOC(=N)N(CC)CC;REEWPNVJLICNAW-UHFFFAOYSA-N;144.22;1.3;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nda_Nd";;;;;;;0.87;;-3.61;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM408033;MM408033;CC=C(C=O)OC1CC1F;IIJZEMNXOZDOBE-UHFFFAOYSA-N;144.15;1.22;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_SNa";;;;;;;0.04;;-2.54;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM408034;MM408034;COc1nnc(CC#N)o1;RGHZHCPHCZCVAO-UHFFFAOYSA-N;139.11;0.14;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP1_SP1";;;;;;;-0.79;;-3.13;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM408035;MM408035;C=Nn1ccc(OC)c1C;KADAJAUVAMUJQF-UHFFFAOYSA-N;138.17;1.27;;;;;DOPC;MDCG;27;1;"MARTINI bead: SNa_SN0";;;;;;;1.17;;-2.76;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM408036;MM408036;CCC(CO)CC#CCO;ONWOTCOTIIYOFQ-UHFFFAOYSA-N;142.2;0.39;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_P2";;;;;;;0.54;;-1.09;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM408037;MM408037;C=Cc1cc(C)c(C#N)[nH]1;SVHORJSISJOFLK-UHFFFAOYSA-N;132.17;1.84;;;;;DOPC;MDCG;27;0;"MARTINI bead: SN0_SNd";;;;;;;1.17;;-1.04;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM408038;MM408038;CCOC(=N)N(CC)OC;QTDXNWGBEADDNA-UHFFFAOYSA-N;146.19;0.84;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_P1";;;;;;;0.81;;-0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM408039;MM408039;CC=C(C#N)OC1CC1F;LOPXLXRKUYKXLC-UHFFFAOYSA-N;141.15;1.54;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_SNa";;;;;;;0.87;;-2.22;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM408040;MM408040;C=Nn1ccc(OC)c1N;XZXJPENUCJFSSQ-UHFFFAOYSA-N;139.16;0.54;;;;;DOPC;MDCG;27;1;"MARTINI bead: SNa_SNd";;;;;;;0.87;;-3.14;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM408041;MM408041;C#CCC1=CC=C(CC)C1;RORJGURUYZFKGM-UHFFFAOYSA-N;132.21;2.68;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC3_SC4";;;;;;;3.9;;0.47;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM408042;MM408042;CCC#CCC(CC)CF;GCMOYNISMXUOAD-UHFFFAOYSA-N;142.22;2.79;;;;;DOPC;MDCG;27;0;"MARTINI bead: C3_C4";;;;;;;3.9;;0.47;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM408043;MM408043;COC(N)=C(F)C(=O)O;UWMLKBPXCJQSRY-UHFFFAOYSA-N;135.09;-0.19;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda_P1";;;;;;;0.04;;-8.04;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM408044;MM408044;C#CC12CC(O)C(C)C1C2;GGSKRLHHHGAOEA-UHFFFAOYSA-N;136.19;1.03;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNda_SC4";;;;;;;2.2;;0.49;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM408045;MM408045;C=C(C)C1NC1C=O;QUXIYMTZMIYAGK-UHFFFAOYSA-N;111.14;0.1;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4_SP2";;;;;;;1.09;;-0.38;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM408046;MM408046;NC=C(C=O)OC1CC1F;QGIRPJXWOVXHOO-UHFFFAOYSA-N;145.13;0.11;;;;;DOPC;MDCG;27;0;"MARTINI bead: P3_SNa";;;;;;;-1.1;;-4.2;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM408047;MM408047;C#CCC1=CC=C(CN)C1;VBPKEHFGYHDUJL-UHFFFAOYSA-N;133.19;1.22;;;;;DOPC;MDCG;27;1;"MARTINI bead: SNd_SC4";;;;;;;2.2;;-1.65;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM408048;MM408048;CCC(CF)CC#CCO;FDJSYZUUVGYFFY-UHFFFAOYSA-N;144.19;1.37;;;;;DOPC;MDCG;27;0;"MARTINI bead: C2_P2";;;;;;;1.72;;0.27;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM408049;MM408049;Cc1cc(C#N)[nH]c1C#N;OJFCQTYMDRBSNC-UHFFFAOYSA-N;131.14;1.07;;;;;DOPC;MDCG;27;0;"MARTINI bead: SN0_SNd";;;;;;;1.17;;-1.04;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM408050;MM408050;C=CCC(=C)C(CN)CF;IENZEHSQAVTILO-UHFFFAOYSA-N;143.21;1.66;;;;;DOPC;MDCG;27;1;"MARTINI bead: Na_C5";;;;;;;1.64;;-2.63;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM408051;MM408051;C=Cn1cnc(CF)c1C;RWVKBBXBDXKUMN-UHFFFAOYSA-N;140.16;1.76;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNa_SP1";;;;;;;0.04;;-2.54;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM408052;MM408052;N#CC(=CN)OC1CC1F;SVYWYXXPZMBAGN-UHFFFAOYSA-N;142.13;0.44;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_SNa";;;;;;;-0.24;;-3.24;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM408053;MM408053;CCC(CF)CC#CCF;OPQBOOYMXRBXNV-UHFFFAOYSA-N;146.18;2.35;;;;;DOPC;MDCG;27;0;"MARTINI bead: C2_Na";;;;;;;2.83;;0.35;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM408054;MM408054;C#CCC1=CC=C(CO)C1;URAHSOHYWSWIGJ-UHFFFAOYSA-N;134.18;1.26;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNda_SC4";;;;;;;2.2;;0.49;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM408055;MM408055;C#CC1=CC(C)=C(C=C)C1;AGZYSDJUMNWAKU-UHFFFAOYSA-N;130.19;2.45;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC3_SC5";;;;;;;3.34;;0.48;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM408056;MM408056;C=C(CC#N)C(CO)CO;QISIPOOENCWVKJ-UHFFFAOYSA-N;141.17;0.06;;;;;DOPC;MDCG;27;0;"MARTINI bead: P3_N0";;;;;;;-0.8;;-2.99;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM408057;MM408057;CCc1ncn(C=O)c1C;YFRRIHHIARDBAJ-UHFFFAOYSA-N;138.17;0.79;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNa_SP1";;;;;;;0.04;;-2.54;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM408058;MM408058;N#CC(=CF)OC1CC1F;GUYMZLREAHLEFM-UHFFFAOYSA-N;145.11;1.45;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_SNa";;;;;;;0.87;;-2.22;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM408059;MM408059;CCC#CCC(CN)CN;ISBCEEPXPSGVFA-UHFFFAOYSA-N;140.23;0.32;;;;;DOPC;MDCG;27;1;"MARTINI bead: C3_P3";;;;;;;0.6;;-3.44;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM408060;MM408060;C#CCC1=CC=C(CF)C1;MAWKHFOJBNDCCH-UHFFFAOYSA-N;136.17;2.24;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC5_SC4";;;;;;;2.97;;0.45;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM408061;MM408061;N#CCC(=O)C(CO)CO;JGLAUVFCWPIXII-UHFFFAOYSA-N;143.14;-0.93;;;;;DOPC;MDCG;27;0;"MARTINI bead: P3_Na";;;;;;;-1.1;;-4.2;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM408062;MM408062;C#CC1=CC(C)=C(C#N)C1;YWMSTHGCWFROIG-UHFFFAOYSA-N;129.16;1.79;;;;;DOPC;MDCG;27;0;"MARTINI bead: SN0_SC5";;;;;;;1.94;;0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM408063;MM408063;N#CCNN=CCF;NWNBGGBZCNBIAY-UHFFFAOYSA-N;115.11;0.05;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_P1";;;;;;;0.04;;-2.54;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM408064;MM408064;CNN=COC(C=O)C=O;QVUBMXRMWJIYCA-UHFFFAOYSA-N;144.13;-1.07;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_Na";;;;;;;-0.24;;-8.02;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM408065;MM408065;CCC#CCC(CN)CO;ZFCSOEMXXZAWLE-UHFFFAOYSA-N;141.21;0.36;;;;;DOPC;MDCG;27;1;"MARTINI bead: C5_P2";;;;;;;0.54;;-3.49;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM408066;MM408066;C#CCC1=CC=C(OC)C1;VCJMCDAVJXCYJY-UHFFFAOYSA-N;134.18;1.87;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC5_SC4";;;;;;;2.97;;0.45;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM408067;MM408067;C=C(CC#N)C(CC)NC;NBZBBTBYPUVFST-UHFFFAOYSA-N;138.21;1.45;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_N0";;;;;;;1.17;;-2.74;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM408068;MM408068;C=CC(=NO)OC1CC1N;ITLHEXPZPUTQGE-UHFFFAOYSA-N;142.16;0.08;;;;;DOPC;MDCG;27;1;"MARTINI bead: SP1_Nda";;;;;;;0.04;;-4.46;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM408069;MM408069;C#Cc1cc(C)c(C#N)[nH]1;ZXAKPOZCNOHDQC-UHFFFAOYSA-N;130.15;1.18;;;;;DOPC;MDCG;27;0;"MARTINI bead: SN0_SNd";;;;;;;1.17;;-1.04;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM408070;MM408070;CCc1ncn(C=N)c1N;YURQBPRGZDIQSL-UHFFFAOYSA-N;138.17;0.48;;;;;DOPC;MDCG;27;1;"MARTINI bead: SNa_SP2";;;;;;;-0.24;;-4.26;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM408071;MM408071;NCC(CO)CC#CCO;FZSBIMKCPOHDFI-UHFFFAOYSA-N;143.19;-1.06;;;;;DOPC;MDCG;27;1;"MARTINI bead: P2_P2";;;;;;;-1.34;;-6.71;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM408072;MM408072;C#CCC1=NN=C(CC)C1;JLIPLSQJPNAKTF-UHFFFAOYSA-N;134.18;1.62;;;;;DOPC;MDCG;27;0;"MARTINI bead: SN0_SN0";;;;;;;1.47;;-0.05;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM408073;MM408073;C=C(CC=O)C(CO)NC;OKHQKCGYSYZITF-UHFFFAOYSA-N;143.19;-0.29;;;;;DOPC;MDCG;27;1;"MARTINI bead: P2_Na";;;;;;;-0.24;;-4.88;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM408074;MM408074;CCc1ncn(C=O)c1N;ZAFWEULIQVWGLZ-UHFFFAOYSA-N;139.16;0.07;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNa_SP2";;;;;;;-0.24;;-3.24;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM408075;MM408075;C#CC(C=NN1CC1)=NN;DOJAVQJLEOBZMH-UHFFFAOYSA-N;136.16;-0.76;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nd_SP3";;;;;;;-1.1;;-3.93;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM408076;MM408076;C=CC12C=C(C)C(=O)C1N2;QWBAYQMUQLJPMO-UHFFFAOYSA-N;135.17;0.41;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNd_SNa";;;;;;;0.87;;-1.88;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM408077;MM408077;C=CCC(=O)C(CC)NC;ISBBOXDWNRMNIX-UHFFFAOYSA-N;141.21;1.13;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_Na";;;;;;;0.87;;-3.32;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM408078;MM408078;CCC#CCC(CO)CO;XXGIIUILKZYLDQ-UHFFFAOYSA-N;142.2;0.39;;;;;DOPC;MDCG;27;0;"MARTINI bead: C3_P3";;;;;;;0.6;;-0.8;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM408079;MM408079;C#CCC1=NN=C(CO)C1;AJHKHQQYTJYGAO-UHFFFAOYSA-N;136.15;0.2;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNda_SN0";;;;;;;1.17;;-1.13;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM408080;MM408080;C=CC(=NO)OC1CC1O;OGOCGDMVOPRRBB-UHFFFAOYSA-N;143.14;0.11;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda_SP1";;;;;;;0.04;;-2.73;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM408081;MM408081;C#Cc1cc(C)c(C=C)o1;CUYIYQWLZBRPGJ-UHFFFAOYSA-N;132.16;2.21;;;;;DOPC;MDCG;27;0;"MARTINI bead: SN0_SC4";;;;;;;2.5;;0.44;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM408082;MM408082;CCC(C)=NN=CNC;KSCTWBTZTBQYPS-UHFFFAOYSA-N;127.19;1.02;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1_P3";;;;;;;0.94;;0.03;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM408083;MM408083;CCC(=CF)C1NC1C=O;USVUERIAZKABLX-UHFFFAOYSA-N;143.16;0.79;;;;;DOPC;MDCG;27;0;"MARTINI bead: C3_SP2";;;;;;;1.46;;-0.15;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM408084;MM408084;NCC#CCC(CO)CO;MVAIHUKMMALODE-UHFFFAOYSA-N;143.19;-1.06;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_P3";;;;;;;-1.1;;-5.44;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM408085;MM408085;C#CCC1=NN=C(CF)C1;LFVRKDJWKZNWTE-UHFFFAOYSA-N;138.15;1.18;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNa_SN0";;;;;;;1.17;;-1.18;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM408086;MM408086;N=Cn1cnnc(N)c1=N;AYFBJNZRUKNNMX-UHFFFAOYSA-N;138.13;-1.21;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP2_SP3";;;;;;;-2.2;;-5.19;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM408087;MM408087;C#CC1=C(C)C=C(CC)C1;GTRKISXDIWZQNP-UHFFFAOYSA-N;132.21;2.68;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC3_SC5";;;;;;;3.34;;0.48;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM408088;MM408088;C=Cn1cnc(CO)c1O;QXBBNCXKPOHOIT-UHFFFAOYSA-N;140.14;0.18;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP2_SNda";;;;;;;-0.24;;-3.31;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM408089;MM408089;C=C(CC=O)C(CO)OC;KTNCUQBATYULST-UHFFFAOYSA-N;144.17;0.14;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_Na";;;;;;;-0.24;;-3.24;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM408090;MM408090;OCC#CCC(CO)CO;ITYLMXGQNNNBSP-UHFFFAOYSA-N;144.17;-1.03;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda_P3";;;;;;;-1.1;;-3.97;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM408091;MM408091;C#CCC1=NN=C(OC)C1;OFLASDFWODVSCA-UHFFFAOYSA-N;136.15;0.81;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNa_SN0";;;;;;;1.17;;-1.18;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM408092;MM408092;C#CC1=C(C)C=C(CN)C1;XHHLBUVYUQIHHV-UHFFFAOYSA-N;133.19;1.22;;;;;DOPC;MDCG;27;1;"MARTINI bead: SC5_SNd";;;;;;;1.64;;-2.12;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM408093;MM408093;C=CC(=NO)OC1CC1F;IBIHBVYHSGLTML-UHFFFAOYSA-N;145.13;1.09;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda_SNa";;;;;;;0.87;;-1.99;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM408094;MM408094;C=NNC(C#N)C(=C)F;ZRNQHEHHPPNRBH-UHFFFAOYSA-N;127.12;0.57;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_P1";;;;;;;0.81;;-0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM408095;MM408095;CCC(OC)C(=O)CC#N;GVONCOLOKVPGHI-UHFFFAOYSA-N;141.17;0.89;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_Na";;;;;;;0.87;;-2.22;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM408096;MM408096;CCC#CCC(CO)CF;SEAHTZDJUPSDTO-UHFFFAOYSA-N;144.19;1.37;;;;;DOPC;MDCG;27;0;"MARTINI bead: C3_P1";;;;;;;1.74;;0.29;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM408097;MM408097;C#CCc1ccc(CC)[nH]1;BFQNXBSRYQGSPJ-UHFFFAOYSA-N;133.19;1.75;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC5_SNd";;;;;;;1.64;;0.02;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM408098;MM408098;C#CC1=C(C)C=C(CO)C1;OOTBQMJQJAHJKD-UHFFFAOYSA-N;134.18;1.26;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC5_SNda";;;;;;;1.64;;0.05;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM408099;MM408099;C=CC(=CC)CC1OC1C;ADQFIUUWXJARRP-UHFFFAOYSA-N;138.21;2.3;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1_SNa";;;;;;;2.91;;0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM408100;MM408100;C=Cn1cnc(NC)c1C;QLNDSKNRQPYFAF-UHFFFAOYSA-N;137.19;1.33;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNda_SP1";;;;;;;0.04;;-2.73;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM408101;MM408101;C=CCC(=O)C(CO)OC;FYCAUTMDUGMMMS-UHFFFAOYSA-N;144.17;0.14;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_Na";;;;;;;-0.24;;-3.24;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM408102;MM408102;NCC#CCC(CO)CF;RREWPFPLNYZWMS-UHFFFAOYSA-N;145.18;-0.08;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_P1";;;;;;;0.04;;-4.14;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM408103;MM408103;C#CCc1ccc(CN)[nH]1;ZOGCDCNTGLFIDY-UHFFFAOYSA-N;134.18;0.65;;;;;DOPC;MDCG;27;1;"MARTINI bead: SP1_SNd";;;;;;;0.04;;-4.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM408104;MM408104;C#CC1=C(C)C=C(CF)C1;RRAMTTSOOGZKSA-UHFFFAOYSA-N;136.17;2.24;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC5_SC5";;;;;;;2.41;;0.64;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM408105;MM408105;C=CC(=CF)CC1OC1C;WHSPWIMTQGERDB-UHFFFAOYSA-N;142.17;2.2;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNa_C2";;;;;;;2.83;;0.35;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM408106;MM408106;COC(CO)C(=O)CC#N;MKKOEBHLUANQJZ-UHFFFAOYSA-N;143.14;-0.52;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_Na";;;;;;;-0.24;;-3.24;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM408107;MM408107;CNc1ncn(C=N)c1C;AQHFXSVBTXBABT-UHFFFAOYSA-N;138.17;0.69;;;;;DOPC;MDCG;27;1;"MARTINI bead: SNda_SP1";;;;;;;0.04;;-4.98;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM408108;MM408108;OCC#CCC(CF)CF;CPBPTXOPYMMQMP-UHFFFAOYSA-N;148.15;0.93;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_C5";;;;;;;0.54;;-1.09;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM408109;MM408109;C#CCc1ccc(CO)[nH]1;RTFXVEXMOVMXMN-UHFFFAOYSA-N;135.17;0.68;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNda_SN0";;;;;;;1.17;;-1.13;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM408110;MM408110;C#CC1=C(C)C=C(OC)C1;YVJNUZKBEBNNOS-UHFFFAOYSA-N;134.18;1.87;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC5_SC5";;;;;;;2.41;;0.64;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM408111;MM408111;CC=C(C=O)CC1OC1C;OMNZCNFVPRZWRV-UHFFFAOYSA-N;140.18;1.31;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_SNa";;;;;;;0.87;;-2.22;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM408112;MM408112;CNc1ncn(C=O)c1C;DPNZNMWNFUCNTP-UHFFFAOYSA-N;139.16;0.27;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNda_SP1";;;;;;;0.04;;-2.73;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM408113;MM408113;C=C(CC#N)C(OC)OC;PTYBHYBELQMFHU-UHFFFAOYSA-N;141.17;1.08;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_N0";;;;;;;0.34;;-1.53;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM408114;MM408114;CCC#CCC(CC)NC;GIRROLJXEVGJIU-UHFFFAOYSA-N;139.24;1.79;;;;;DOPC;MDCG;27;1;"MARTINI bead: C3_Nd";;;;;;;2.57;;-1.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM408115;MM408115;C#CCc1ccc(CF)[nH]1;XSSRRVJSMPCCBU-UHFFFAOYSA-N;137.16;1.66;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNda_SN0";;;;;;;1.17;;-1.13;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM408116;MM408116;C#Cc1[nH]c(CC)cc1C;LLQRRDVXQBUEEO-UHFFFAOYSA-N;133.19;1.87;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC5_SNd";;;;;;;1.64;;0.02;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM408117;MM408117;CC=C(C#N)CC1OC1C;OYQJRUHIDMJCDC-UHFFFAOYSA-N;137.18;1.63;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_SNa";;;;;;;1.64;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM408118;MM408118;CNc1ncn(C=N)c1N;UJUWHQCAQUNZGW-UHFFFAOYSA-N;139.16;-0.04;;;;;DOPC;MDCG;27;1;"MARTINI bead: SNda_SP2";;;;;;;-0.24;;-5.6;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM408119;MM408119;C=C(NC=N)C(CN)CF;BOQMWPHGRUPTIH-UHFFFAOYSA-N;145.18;0.24;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1_P2";;;;;;;-1.06;;-7.61;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM408120;MM408120;CCC(CC#CCN)NC;OUPZTMPTZDADOP-UHFFFAOYSA-N;140.23;0.34;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_Nd";;;;;;;0.87;;-4.91;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM408121;MM408121;C=C(OC=NN)C(C)F;ZJUFHRQICAWAQP-UHFFFAOYSA-N;132.14;0.78;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_Nda";;;;;;;1.64;;0.05;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM408122;MM408122;C#Cc1[nH]c(CN)cc1C;PQBJAYCZGNOZJW-UHFFFAOYSA-N;134.18;0.76;;;;;DOPC;MDCG;27;1;"MARTINI bead: SP1_SNd";;;;;;;0.04;;-4.05;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM408123;MM408123;CC1OC1CC(C=O)=CN;IXBXKKOECKUPDD-UHFFFAOYSA-N;141.17;0.21;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNa_P1";;;;;;;0.04;;-2.54;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM408124;MM408124;CCn1cc(N)c(F)n1;BKYIEIAIINQGCK-UHFFFAOYSA-N;129.14;0.62;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNa_SP1";;;;;;;0.04;;-2.54;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM408125;MM408125;C=C(NC=N)C(CO)CO;CEPKCFPFESUHDK-UHFFFAOYSA-N;144.17;-0.7;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1_P3";;;;;;;-1.93;;-8.31;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM408126;MM408126;CCC(CC#CCO)NC;QYOQNBOPYYRCKW-UHFFFAOYSA-N;141.21;0.37;;;;;DOPC;MDCG;27;1;"MARTINI bead: C5_P2";;;;;;;0.54;;-3.81;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM408127;MM408127;C#Cc1[nH]c(CO)cc1C;ZAMJKUYSUUWGJJ-UHFFFAOYSA-N;135.17;0.8;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNda_SNd";;;;;;;0.87;;-1.92;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM408128;MM408128;C#CCc1ccc(OC)[nH]1;WLYFOFFDQXHCAL-UHFFFAOYSA-N;135.17;1.2;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNa_SNd";;;;;;;0.87;;-1.88;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM408129;MM408129;C=Cn1cnc(OC)c1C;ICUGWSZGCCZBCG-UHFFFAOYSA-N;138.17;1.3;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNa_SP1";;;;;;;0.04;;-2.54;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM408130;MM408130;CC1OC1CC(C#N)=CN;WLTTZPPDMGWPON-UHFFFAOYSA-N;138.17;0.53;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNa_P1";;;;;;;0.04;;-2.54;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM408131;MM408131;C=C(NC=N)C(CO)CF;VEAQTWOKBPCHAX-UHFFFAOYSA-N;146.17;0.27;;;;;DOPC;MDCG;27;1;"MARTINI bead: Na_P2";;;;;;;-0.24;;-7.01;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM408132;MM408132;CCC(CC#CCF)NC;ZGXSFGZBGNTVGG-UHFFFAOYSA-N;143.21;1.35;;;;;DOPC;MDCG;27;1;"MARTINI bead: C5_Na";;;;;;;1.64;;-2.66;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM408133;MM408133;C=C(OC=NN)C(F)F;QUXFUFUKIZGNLW-UHFFFAOYSA-N;136.1;0.68;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda_N0";;;;;;;1.17;;-1.13;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM408134;MM408134;C#Cc1[nH]c(CF)cc1C;OJIDDUGQUBCIOA-UHFFFAOYSA-N;137.16;1.77;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNa_SNd";;;;;;;0.87;;-1.88;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM408135;MM408135;C=Cn1cnc(OC)c1N;XKPCQKXNCTYKBG-UHFFFAOYSA-N;139.16;0.57;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNa_SP1";;;;;;;0.04;;-2.54;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM408136;MM408136;CC1OC1CC(C=O)=CF;KQENMIDMYDGEEU-UHFFFAOYSA-N;144.15;1.22;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNa_Na";;;;;;;0.87;;-2.22;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM408137;MM408137;C=C(NC=O)C(CO)CF;YGPTXFXIFDJAMM-UHFFFAOYSA-N;147.15;-0.18;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_P2";;;;;;;-0.24;;-3.24;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM408138;MM408138;CCC#CCC(CN)NC;CFCBCRKAETZTGD-UHFFFAOYSA-N;140.23;0.34;;;;;DOPC;MDCG;27;1;"MARTINI bead: C3_P3";;;;;;;0.6;;-3.12;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM408140;MM408140;C=Nn1cnc(NC)c1C;MCTTVJKDHHSYHW-UHFFFAOYSA-N;138.17;0.7;;;;;DOPC;MDCG;27;1;"MARTINI bead: SNda_SP1";;;;;;;0.04;;-3.89;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM408139;MM408139;C=C(F)C(=C)OC=NN;OWDYWNXVMJUOIT-UHFFFAOYSA-N;130.12;0.9;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda_C5";;;;;;;1.64;;0.05;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM408141;MM408141;C=C1CCC(C)(O)C1;ARDHMJZDIYNILK-UHFFFAOYSA-N;112.17;1.48;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNda_SC4";;;;;;;2.2;;0.49;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM408142;MM408142;CCC(CC)C(=N)NC=N;CMPWIBBOWDWLND-UHFFFAOYSA-N;141.22;1.6;;;;;DOPC;MDCG;27;1;"MARTINI bead: C1_P4";;;;;;;0.85;;-3.21;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM408143;MM408143;CC1OC1CC(C#N)=CF;KRKPHYVRMIUKEJ-UHFFFAOYSA-N;141.15;1.54;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNa_Na";;;;;;;0.87;;-2.22;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM408144;MM408144;CCC#CCC(CO)NC;PLECSNSZTOTGLU-UHFFFAOYSA-N;141.21;0.37;;;;;DOPC;MDCG;27;1;"MARTINI bead: C5_P2";;;;;;;0.54;;-3.13;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM408145;MM408145;C=Cn1ncc(CC)c1C;KFBAIYLKBSUZCK-UHFFFAOYSA-N;136.2;1.85;;;;;DOPC;MDCG;27;0;"MARTINI bead: SN0_SNa";;;;;;;1.17;;-1.18;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM408146;MM408146;CCC#CCC(CF)NC;FWSKOTJNUZEXCT-UHFFFAOYSA-N;143.21;1.35;;;;;DOPC;MDCG;27;1;"MARTINI bead: C3_P1";;;;;;;1.74;;-0.47;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM408147;MM408147;C=CC(CC1OC1C)=NN;DVJVNJXKZIGKNJ-UHFFFAOYSA-N;140.19;0.66;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNa_C5";;;;;;;1.64;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM408148;MM408148;CCC#CCOC=NNC;ONEUEVGHZHOWFB-UHFFFAOYSA-N;140.19;0.58;;;;;DOPC;MDCG;27;0;"MARTINI bead: C3_P2";;;;;;;1.46;;-0.15;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM408149;MM408149;C#CCc1cnc(OC)[nH]1;AKSKMAJLGHNMOC-UHFFFAOYSA-N;136.15;0.59;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNda_SNd";;;;;;;0.87;;-1.92;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM408150;MM408150;CC1C(C)(C)C1(C)O;JFLFCXDCJQZMIR-UHFFFAOYSA-N;114.19;1.41;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC4_P1";;;;;;;1.37;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM408151;MM408151;N=CNC(=N)C(CN)CO;RADGMWLNWWFUDO-UHFFFAOYSA-N;144.18;-1.27;;;;;DOPC;MDCG;27;1;"MARTINI bead: P2_P4";;;;;;;-2.29;;-7.99;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM408152;MM408152;C=Cn1ncc(CN)c1C;YILKJUKGRJTYGT-UHFFFAOYSA-N;137.19;0.75;;;;;DOPC;MDCG;27;1;"MARTINI bead: SP2_SNa";;;;;;;-0.24;;-4.66;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM408153;MM408153;CC(C)=C(C)OC=NN;YRGSHZCNCRLCJL-UHFFFAOYSA-N;128.18;1.22;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1_P3";;;;;;;0.94;;0.03;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM408154;MM408154;CNC(CF)CC#CCN;BMJYFRKAPDNEHU-UHFFFAOYSA-N;144.19;-0.1;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1_Nd";;;;;;;0.04;;-4.27;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM408155;MM408155;C=CC(CC1OC1C)=NO;ZPOTVRJOKLQHBO-UHFFFAOYSA-N;141.17;1.18;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNa_Nda";;;;;;;0.87;;-1.99;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM408156;MM408156;C#Cc1[nH]c(OC)cc1C;IKBWEKQNYVBNLW-UHFFFAOYSA-N;135.17;1.31;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNa_SNd";;;;;;;0.87;;-1.88;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM408157;MM408157;C=CNC(=N)C(CO)CO;ACZZMRUOLUCNKX-UHFFFAOYSA-N;144.17;-0.7;;;;;DOPC;MDCG;27;1;"MARTINI bead: P3_P1";;;;;;;-1.93;;-8.26;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM408158;MM408158;NN=c1[nH]c(F)cc(=O)o1;ANAIUCHVSAXGGB-UHFFFAOYSA-N;145.09;-1.12;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP1_SP2";;;;;;;-1.06;;-8.56;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM408159;MM408159;CC(OC=NN)=C(F)F;UKCWVPGRIPMDFQ-UHFFFAOYSA-N;136.1;1.03;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda_N0";;;;;;;1.17;;-1.13;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM408160;MM408160;C=Cc1nnc(N)n1N;RIFDNOOXJCRJDM-UHFFFAOYSA-N;125.14;-0.78;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP3_SNa";;;;;;;-1.1;;-4.2;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM408161;MM408161;CNC(CF)CC#CCF;DWOJFDWBRZNWDT-UHFFFAOYSA-N;147.17;0.91;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nda_Na";;;;;;;0.87;;-3.04;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM408162;MM408162;C#Cc1oc(CO)cc1C;ORAROCQGVYZGBR-UHFFFAOYSA-N;136.15;1.06;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNda_SC5";;;;;;;1.64;;0.05;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM408163;MM408163;C=CNC(=O)C(CC)CC;LERBXKCAGZPMDI-UHFFFAOYSA-N;141.21;1.68;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1_P2";;;;;;;1.8;;0.4;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM408164;MM408164;C=Cn1ncc(CF)c1C;CZZOBYGOWWACQO-UHFFFAOYSA-N;140.16;1.76;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNa_SNa";;;;;;;0.87;;-2.22;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM408165;MM408165;C=CC(=CF)CC1CN1C;NDZOEFCSNVAKRS-UHFFFAOYSA-N;141.19;1.73;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP1_C2";;;;;;;2;;0.37;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM408166;MM408166;CCC#CCC(CC)OC;BYPRVSRQKSJHBB-UHFFFAOYSA-N;140.23;2.21;;;;;DOPC;MDCG;27;0;"MARTINI bead: C3_Na";;;;;;;2.57;;0.45;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM408167;MM408167;CCC(C)COC=NN;MIBNDYVBXKVHQW-UHFFFAOYSA-N;130.19;0.95;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1_P1";;;;;;;2.08;;0.48;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM408168;MM408168;C#Cc1oc(NC)cc1C;GQULZXGQQXYQTG-UHFFFAOYSA-N;135.17;1.61;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNd_SC5";;;;;;;1.64;;0.02;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM408169;MM408169;CNN=COCC#CCF;PVISALFLGDAULA-UHFFFAOYSA-N;144.15;0.14;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_C5";;;;;;;0.54;;-1.09;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM408170;MM408170;CC=C(C=O)CC1CN1C;CWIYBNOWKUQDDO-UHFFFAOYSA-N;139.2;0.84;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_SP1";;;;;;;0.04;;-2.54;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM408171;MM408171;Cc1c(CN)cnn1C=N;CDBLELRRKXOGBJ-UHFFFAOYSA-N;138.17;0.11;;;;;DOPC;MDCG;27;1;"MARTINI bead: SP2_SP1";;;;;;;-1.06;;-5.22;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM408172;MM408172;C#CC1=C(C)C=C(C=C)C1;NVNFSOPENZPDHT-UHFFFAOYSA-N;130.19;2.45;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC5_SC4";;;;;;;2.97;;0.45;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM408173;MM408173;CCC(CC#CCN)OC;DAXAQUKHIPGDTQ-UHFFFAOYSA-N;141.21;0.76;;;;;DOPC;MDCG;27;1;"MARTINI bead: Na_Nd";;;;;;;0.87;;-3.38;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM408174;MM408174;CCC(F)COC=NN;FWZAQQSZHDOQHN-UHFFFAOYSA-N;134.15;0.65;;;;;DOPC;MDCG;27;0;"MARTINI bead: C2_P3";;;;;;;0.86;;-0.3;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM408175;MM408175;CC=C(C#N)CC1CN1C;NUQJDESOTRFGBU-UHFFFAOYSA-N;136.2;1.16;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_SP1";;;;;;;0.81;;-0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM408176;MM408176;C=CC(C)(C)CC(C)(C)O;ZETCGVWPFKWYST-UHFFFAOYSA-N;142.24;2.36;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda_C1";;;;;;;2.91;;0.57;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM408177;MM408177;CCC(CC)C(=O)NC=O;YLURWMRDQKEOFS-UHFFFAOYSA-N;143.19;0.7;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1_P4";;;;;;;0.85;;-0.64;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM408178;MM408178;C#CC1=C(C)C=C(C=O)C1;LASQYARNBCOBSN-UHFFFAOYSA-N;132.16;1.47;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC5_SNa";;;;;;;1.64;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM408179;MM408179;CCC(CC#CCO)OC;QRAKUZHJGOMZMT-UHFFFAOYSA-N;142.2;0.8;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4_P2";;;;;;;1.09;;-0.38;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM408180;MM408180;NN=COCC(F)CF;WTHNJXIMVZMSTI-UHFFFAOYSA-N;138.12;0.21;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_Na";;;;;;;0.04;;-2.54;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM408181;MM408181;CN1CC1CC(C=O)=CN;KARPNDASXVNIRY-UHFFFAOYSA-N;140.19;-0.27;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP1_P1";;;;;;;-0.79;;-3.13;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM408182;MM408182;CCc1cnn(C=O)c1C;KQCQEFMSJCRRSA-UHFFFAOYSA-N;138.17;0.79;;;;;DOPC;MDCG;27;0;"MARTINI bead: SN0_SP1";;;;;;;0.34;;-1.53;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM408183;MM408183;C=CNC(=O)C(CC)CN;KNKNXZJXXQNTIM-UHFFFAOYSA-N;142.2;0.23;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_P2";;;;;;;-0.24;;-4.88;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM408184;MM408184;C#CC1=C(C)C=C(C#N)C1;NMQHRSKWSCCTMI-UHFFFAOYSA-N;129.16;1.79;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC5_SN0";;;;;;;1.94;;0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM408185;MM408185;CCC(CC#CCF)OC;RUHAXMWELJHVQB-UHFFFAOYSA-N;144.19;1.77;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4_Na";;;;;;;2.2;;0.34;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM408186;MM408186;C#CCc1nc(CC)n[nH]1;NCBPZANWPUTNGS-UHFFFAOYSA-N;135.17;0.54;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNda_SNda";;;;;;;0.87;;-2.07;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM408187;MM408187;Cc1c(CO)cnn1C=O;OXUJSMKSWRFAJO-UHFFFAOYSA-N;140.14;-0.28;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP1_SP1";;;;;;;-0.79;;-3.13;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM408188;MM408188;CN1CC1CC(C#N)=CN;FYFVVULCRUIMIB-UHFFFAOYSA-N;137.19;0.06;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP1_P1";;;;;;;-0.79;;-3.13;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM408189;MM408189;CCC(CN)C(=O)NC=N;OCDWNTFAIMWDRJ-UHFFFAOYSA-N;143.19;-0.31;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_P4";;;;;;;-1.19;;-6.57;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM408190;MM408190;C#CCc1nc(CO)n[nH]1;AEFSHXVODODTAU-UHFFFAOYSA-N;137.14;-0.53;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP2_SNda";;;;;;;-0.24;;-3.31;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM408191;MM408191;CCC#CCC(CN)OC;PIGWAFMXLUWINJ-UHFFFAOYSA-N;141.21;0.76;;;;;DOPC;MDCG;27;1;"MARTINI bead: C3_P2";;;;;;;1.46;;-2.07;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM408192;MM408192;C#Cc1[nH]c(C=C)cc1C;KTVHTGOVJOWOPM-UHFFFAOYSA-N;131.18;1.95;;;;;DOPC;MDCG;27;0;"MARTINI bead: SN0_SNd";;;;;;;1.17;;-1.04;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM408193;MM408193;CCC(CN)C(=O)NC=O;HEWVSLBDSAUSKO-UHFFFAOYSA-N;144.17;-0.76;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_P4";;;;;;;-1.19;;-6.93;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM408194;MM408194;C=Cn1ncc(CC)c1N;CWSATPGXHSYVAS-UHFFFAOYSA-N;137.19;1.13;;;;;DOPC;MDCG;27;0;"MARTINI bead: SN0_SP1";;;;;;;0.34;;-1.53;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM408195;MM408195;C#CCc1nc(CF)n[nH]1;MUOUHQMMLXDYFV-UHFFFAOYSA-N;139.13;0.45;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP1_SNda";;;;;;;0.04;;-2.73;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM408196;MM408196;CN1CC1CC(C#N)=CF;XEHILNPIHOSKMG-UHFFFAOYSA-N;140.16;1.07;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP1_Na";;;;;;;0.04;;-2.54;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM408197;MM408197;C#Cc1[nH]c(C#N)cc1C;SLGNVFAPYSLETO-UHFFFAOYSA-N;130.15;1.18;;;;;DOPC;MDCG;27;0;"MARTINI bead: SN0_SNd";;;;;;;1.17;;-1.04;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM408198;MM408198;COC(CN)CC#CCN;CQKJWVMJFLAXLU-UHFFFAOYSA-N;142.2;-0.69;;;;;DOPC;MDCG;27;1;"MARTINI bead: P2_Nd";;;;;;;-0.24;;-5.31;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM408199;MM408199;COC(C)COC=NN;DTYUXCMGHJEFGN-UHFFFAOYSA-N;132.16;-0.06;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_P1";;;;;;;0.04;;-2.54;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM408200;MM408200;C=CC#CCOC=NNC;YNVFZIVMPFQRRT-UHFFFAOYSA-N;138.17;0.36;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_C4";;;;;;;1.09;;-0.38;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM408201;MM408201;CC1C2CC(C)(C)CC12O;KEKGEXBSHLSCNS-UHFFFAOYSA-N;140.23;1.8;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC2_SNda";;;;;;;2.83;;0.57;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM408202;MM408202;C=CC(CC1CN1C)=NN;AJIHSZFGLXHQPK-UHFFFAOYSA-N;139.2;0.19;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP1_C5";;;;;;;0.81;;-0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM408203;MM408203;C#Cc1[nH]c(C#N)cc1N;ZVZMOFIKMWOWPI-UHFFFAOYSA-N;131.14;0.45;;;;;DOPC;MDCG;27;0;"MARTINI bead: SN0_SNd";;;;;;;1.17;;-1.04;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM408204;MM408204;COC(CN)CC#CCO;QBNKLCLMSOUDMM-UHFFFAOYSA-N;143.19;-0.65;;;;;DOPC;MDCG;27;1;"MARTINI bead: P2_Nda";;;;;;;-0.24;;-5.35;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM408205;MM408205;C=CNC(=O)C(CN)CO;QTVLJAWSZYIYOB-UHFFFAOYSA-N;144.17;-1.19;;;;;DOPC;MDCG;27;1;"MARTINI bead: P2_P2";;;;;;;-1.34;;-5.67;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM408206;MM408206;C#CCc1ccc(CC)o1;CDHMXGXNFYQLSZ-UHFFFAOYSA-N;134.18;2.02;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC4_SC5";;;;;;;2.97;;0.45;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM408207;MM408207;CCc1cnn(C=N)c1N;HSBSQHUXABFZCK-UHFFFAOYSA-N;138.17;0.48;;;;;DOPC;MDCG;27;0;"MARTINI bead: SN0_SP2";;;;;;;0.06;;-2.21;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM408208;MM408208;Cc1c(N)nnoc1=NN;RKSPNMLUTPABFT-UHFFFAOYSA-N;141.13;-1.27;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP2_SP2";;;;;;;-1.34;;-4.31;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM408209;MM408209;C#Cc1oc(C=C)cc1C;MKAKUQUHKVFNLR-UHFFFAOYSA-N;132.16;2.21;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC5_SC5";;;;;;;2.41;;0.64;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM408210;MM408210;COC(CN)CC#CCF;HJPLQABBHPETAF-UHFFFAOYSA-N;145.18;0.32;;;;;DOPC;MDCG;27;1;"MARTINI bead: P2_C5";;;;;;;0.54;;-3.12;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM408211;MM408211;N=CNC(=O)C(CN)CO;CGRNSAAZWRAYOU-UHFFFAOYSA-N;145.16;-1.72;;;;;DOPC;MDCG;27;1;"MARTINI bead: P2_P4";;;;;;;-2.29;;-7.29;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM408212;MM408212;C#CCc1ccc(CO)o1;HWQXAFSXJJLSHA-UHFFFAOYSA-N;136.15;0.95;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNda_SC5";;;;;;;1.64;;0.05;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM408213;MM408213;C=NNC(=N)COC(C)=O;QEIPDMPPNZQJMZ-UHFFFAOYSA-N;143.15;-0.27;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_P2";;;;;;;-0.24;;-3.24;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM408214;MM408214;N=c1c(=O)o[nH]n1O;JSGAFNVBQMKMTB-UHFFFAOYSA-N;117.06;-1.51;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP2_SP2";;;;;;;-1.34;;-9.07;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM408215;MM408215;C#Cc1oc(C#N)cc1C;JXAHHDPNHLIYKG-UHFFFAOYSA-N;131.13;1.44;;;;;DOPC;MDCG;27;0;"MARTINI bead: SN0_SC5";;;;;;;1.94;;0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM408216;MM408216;CCC#CCC(CO)OC;JAZGDYDAHGWEOO-UHFFFAOYSA-N;142.2;0.8;;;;;DOPC;MDCG;27;0;"MARTINI bead: C3_P2";;;;;;;1.46;;-0.15;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM408217;MM408217;C#CCc1ccc(CF)o1;AQVVHWUDJFCLOE-UHFFFAOYSA-N;138.14;1.92;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC5_SC5";;;;;;;2.41;;0.64;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM408218;MM408218;C=CNC(=O)C(CO)CO;UGPSFNPUPHPMCU-UHFFFAOYSA-N;145.16;-1.15;;;;;DOPC;MDCG;27;0;"MARTINI bead: P5_P1";;;;;;;-1.94;;-5.95;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM408219;MM408219;C=CC(=CF)CN1CC1C;DXXBNJRWISALGK-UHFFFAOYSA-N;141.19;1.73;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNd_C4";;;;;;;2.2;;0.33;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM408220;MM408220;C#CC1=CC(C)=C(C#C)C1;XXNGLIXZAMETLP-UHFFFAOYSA-N;128.17;1.9;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC5_SC5";;;;;;;2.41;;0.64;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM408221;MM408221;CCc1cnn(C=O)c1N;PDEAXDVFQVYUPI-UHFFFAOYSA-N;139.16;0.07;;;;;DOPC;MDCG;27;0;"MARTINI bead: SN0_SP2";;;;;;;0.06;;-2.21;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM408222;MM408222;COC(CO)CC#CCN;WPCUGDNPXMITSI-UHFFFAOYSA-N;143.19;-0.65;;;;;DOPC;MDCG;27;1;"MARTINI bead: P2_Nd";;;;;;;-0.24;;-4.65;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM408223;MM408223;C#CCc1ccc(NC)o1;MBHXZUJRODQAIV-UHFFFAOYSA-N;135.17;1.5;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNd_SC5";;;;;;;1.64;;0.02;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM408224;MM408224;CC=C(C=O)CN1CC1C;QQAWTLGKNSHRDD-UHFFFAOYSA-N;139.2;0.84;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_SNd";;;;;;;0.87;;-1.88;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM408225;MM408225;C=NNC(=O)C(CC)CN;QVVIPEAUVMBSSV-UHFFFAOYSA-N;143.19;-0.3;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nda_P1";;;;;;;0.04;;-4.45;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM408226;MM408226;C#Cc1cc(C)c(C#C)[nH]1;DQUOYYYURNFUGJ-UHFFFAOYSA-N;129.16;1.29;;;;;DOPC;MDCG;27;0;"MARTINI bead: SN0_SNd";;;;;;;1.17;;-1.04;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM408227;MM408227;COC(CO)CC#CCO;RKSPTRRUVWCIFX-UHFFFAOYSA-N;144.17;-0.62;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_Nda";;;;;;;-0.24;;-3.31;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM408228;MM408228;N=c1nnc(=O)oc(O)n1;RQUMNXWBUKCAEH-UHFFFAOYSA-N;142.07;-1.99;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP3_SP3";;;;;;;-3.07;;-10.28;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM408229;MM408229;C#CCc1ccc(OC)o1;NWQSEXTWMGGANH-UHFFFAOYSA-N;136.15;1.46;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNa_SC5";;;;;;;1.64;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM408230;MM408230;C=NNC(=O)C(CO)CF;CYOVLQIOQDKUKQ-UHFFFAOYSA-N;148.14;-0.7;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_P2";;;;;;;-0.24;;-3.24;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM408231;MM408231;CC=C(C#N)CN1CC1C;UNWQPELZEUXJAO-UHFFFAOYSA-N;136.2;1.16;;;;;DOPC;MDCG;27;0;"MARTINI bead: N0_SNd";;;;;;;1.17;;-1.04;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM408232;MM408232;C=C1C(=O)CC2NC12;UWGHGRGDUBWALA-UHFFFAOYSA-N;109.13;-0.14;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNd_SNa";;;;;;;0.87;;-1.88;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM408233;MM408233;COC(CO)CC#CCF;GJLXZTUJIYWUJJ-UHFFFAOYSA-N;146.16;0.36;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_C5";;;;;;;0.54;;-1.09;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM408234;MM408234;O=C1N=NC(=CO)O1;JIMFXWUCEZFQIV-UHFFFAOYSA-N;114.06;0.95;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP1_SP1";;;;;;;-0.79;;-8.83;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM408235;MM408235;C#CCc1cnc(CC)o1;CMHZAWYTUWGWSX-UHFFFAOYSA-N;135.17;1.41;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNa_SN0";;;;;;;1.17;;-1.18;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM408236;MM408236;CC1CN1CC(C=O)=CN;KXSVAILSLOJNBE-UHFFFAOYSA-N;140.19;-0.27;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNd_P2";;;;;;;-0.24;;-3.16;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM408237;MM408237;C=C(NC=N)C(CO)NC;KUHYZJHKOOJPRT-UHFFFAOYSA-N;143.19;-0.72;;;;;DOPC;MDCG;27;1;"MARTINI bead: P2_P2";;;;;;;-1.34;;-7.91;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM408238;MM408238;COC(CF)CC#CCF;IQLTWQXQWYVJAH-UHFFFAOYSA-N;148.15;1.33;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_Na";;;;;;;0.87;;-2.22;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM408239;MM408239;C#Cc1cc(C)c(C#C)o1;QVYTVINRWOXCQD-UHFFFAOYSA-N;130.15;1.55;;;;;DOPC;MDCG;27;0;"MARTINI bead: SN0_SC5";;;;;;;1.94;;0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM408240;MM408240;CN=C1N=NC(=CO)N=N1;RBQRITRHQMYSHG-UHFFFAOYSA-N;139.12;1.25;;;;;DOPC;MDCG;27;0;"MARTINI bead: SN0_SNda";;;;;;;1.17;;-6.95;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM408241;MM408241;C#CCc1cnc(CO)o1;KDDMGMBECJZPGD-UHFFFAOYSA-N;137.14;0.34;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP1_SN0";;;;;;;0.34;;-1.53;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM408242;MM408242;CC1CN1CC(C#N)=CN;FZOMAMDWNGZNNS-UHFFFAOYSA-N;137.19;0.06;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNd_P1";;;;;;;0.04;;-2.63;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM408243;MM408243;CCC#CCC(OC)OC;AVBSHNMILAFWOB-UHFFFAOYSA-N;142.2;1.41;;;;;DOPC;MDCG;27;0;"MARTINI bead: C3_P1";;;;;;;1.74;;0.29;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM408244;MM408244;C=CNC(=N)C(CC)NC;IAPQAZWLCRCDMI-UHFFFAOYSA-N;141.22;0.69;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_P1";;;;;;;0.04;;-6.12;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM408245;MM408245;CCC1=C(C)CC(CN)=C1;CGQOXFDTGLRURH-UHFFFAOYSA-N;137.23;2;;;;;DOPC;MDCG;27;1;"MARTINI bead: SC1_SNd";;;;;;;2.91;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM408246;MM408246;C=Cn1ncc(NC)c1C;CNGKWVOIXKKWNI-UHFFFAOYSA-N;137.19;1.33;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNd_SNa";;;;;;;0.87;;-1.88;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM408247;MM408247;C#CCc1cnc(CF)o1;XXUPSBABGUETAQ-UHFFFAOYSA-N;139.13;1.32;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNa_SN0";;;;;;;1.17;;-1.18;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM408248;MM408248;CC1CN1CC(C=O)=CF;HGWITRVPYSRNFM-UHFFFAOYSA-N;143.16;0.74;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNd_Na";;;;;;;0.87;;-1.88;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM408249;MM408249;COC(CC#CCF)OC;SQONOPWDJWPMGH-UHFFFAOYSA-N;146.16;0.97;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_Na";;;;;;;0.87;;-2.22;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM408250;MM408250;C=C(NC=O)C(CC)OC;BMVWSLDCEIASGQ-UHFFFAOYSA-N;143.19;0.67;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_P1";;;;;;;0.81;;-0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM408251;MM408251;CC1=C(CN)C=C(CN)C1;SHNLGTDDOBPSDJ-UHFFFAOYSA-N;138.21;0.55;;;;;DOPC;MDCG;27;1;"MARTINI bead: SNd_SNd";;;;;;;0.87;;-4.63;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM408252;MM408252;CNc1cnn(C=O)c1C;PJOSQBLZCNPEAH-UHFFFAOYSA-N;139.16;0.27;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNd_SP1";;;;;;;0.04;;-2.63;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM408253;MM408253;C=CC(C)COC=NN;OMZGSLMVRMXSNC-UHFFFAOYSA-N;128.18;0.73;;;;;DOPC;MDCG;27;0;"MARTINI bead: C2_P3";;;;;;;0.86;;-0.3;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM408254;MM408254;CC1CN1CC(C#N)=CF;SFZRWNGCIQKWOU-UHFFFAOYSA-N;140.16;1.07;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNd_Na";;;;;;;0.87;;-1.88;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM408255;MM408255;C=C(NC=N)C(CN)OC;FZEWDQRCAUUBBH-UHFFFAOYSA-N;143.19;-0.33;;;;;DOPC;MDCG;27;1;"MARTINI bead: P2_P2";;;;;;;-1.34;;-7.73;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM408256;MM408256;CCC#CCN(CC)CC;GLYRYDQBPLDITK-UHFFFAOYSA-N;139.24;1.74;;;;;DOPC;MDCG;27;1;"MARTINI bead: C3_Nd";;;;;;;2.57;;-0.25;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM408257;MM408257;CCC1=C(C)CC(OC)=C1;OPZQTYIFPBDOLA-UHFFFAOYSA-N;138.21;2.65;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC1_SC5";;;;;;;3.68;;0.46;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM408258;MM408258;C=Cn1ncc(NC)c1N;GTYIWAIEOYCTBH-UHFFFAOYSA-N;138.17;0.61;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNd_SP1";;;;;;;0.04;;-2.63;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM408259;MM408259;C#CCc1cnc(OC)o1;BSRRFAPHRRPIOK-UHFFFAOYSA-N;137.14;0.86;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNa_SN0";;;;;;;1.17;;-1.18;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM408260;MM408260;C=C(NC=N)C(CO)OC;VJYBKQHTRGEYNY-UHFFFAOYSA-N;144.17;-0.3;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nda_P3";;;;;;;-1.1;;-7.26;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM408261;MM408261;C=CC(CN1CC1C)=NN;ATSDEEQTMCJRRT-UHFFFAOYSA-N;139.2;0.19;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNd_Nd";;;;;;;0.87;;-2.11;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM408262;MM408262;CCN(CC)CC#CCN;IGUGEIWRQTZQPG-UHFFFAOYSA-N;140.23;0.29;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_Nd";;;;;;;0.87;;-3.85;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM408263;MM408263;C=CC1=CC(CC)=C(C)C1;UUVCPSMPJJFZSH-UHFFFAOYSA-N;134.22;3.23;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC1_SC4";;;;;;;4.24;;0.42;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM408264;MM408264;CNc1cnn(C=O)c1N;FKLCKLIABDZSGZ-UHFFFAOYSA-N;140.15;-0.45;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNd_SP2";;;;;;;-0.24;;-3.16;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM408265;MM408265;C#CCc1ncc(CC)o1;XHCIDVHJKNWHDT-UHFFFAOYSA-N;135.17;1.41;;;;;DOPC;MDCG;27;0;"MARTINI bead: SN0_SNa";;;;;;;1.17;;-1.18;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM408266;MM408266;C=CNC(=N)C(CN)OC;SRCDMQVWPMKJGE-UHFFFAOYSA-N;143.19;-0.33;;;;;DOPC;MDCG;27;1;"MARTINI bead: P2_P2";;;;;;;-1.34;;-7.49;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM408267;MM408267;CC(O)C1(C)CCC1;VCKWRLBCIICWFC-UHFFFAOYSA-N;114.19;1.56;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNda_SC4";;;;;;;2.2;;0.49;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM408268;MM408268;CCC1=C(C)CC(C=O)=C1;HGWWHCRAUVEPLN-UHFFFAOYSA-N;136.19;2.24;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC1_SNa";;;;;;;2.91;;0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM408269;MM408269;CCN(CC)CC#CCO;ACGZBRWTWOZSFU-UHFFFAOYSA-N;141.21;0.32;;;;;DOPC;MDCG;27;1;"MARTINI bead: C5_P2";;;;;;;0.54;;-2.15;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM408270;MM408270;C#CCc1ncc(CO)o1;TYQCCTUBGBCHRU-UHFFFAOYSA-N;137.14;0.34;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP1_SNa";;;;;;;0.04;;-2.54;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM408271;MM408271;C=Cn1ncc(OC)c1C;DOLIDQYORZRFDN-UHFFFAOYSA-N;138.17;1.3;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNa_SNa";;;;;;;0.87;;-2.22;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM408272;MM408272;COC(CN)C(=N)NC=N;AMDFWQBDDLBOPK-UHFFFAOYSA-N;144.18;-0.87;;;;;DOPC;MDCG;27;1;"MARTINI bead: P2_P4";;;;;;;-2.29;;-7.43;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM408273;MM408273;C#Cc1n[nH]n(O)c1=O;ZQBZXMHHUJOCPB-UHFFFAOYSA-N;125.09;-1.21;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP3_SP1";;;;;;;-1.93;;-8.97;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM408274;MM408274;CCN(CC)CC#CCF;CDTWCVNUYMLFCU-UHFFFAOYSA-N;143.21;1.3;;;;;DOPC;MDCG;27;1;"MARTINI bead: C5_Na";;;;;;;1.64;;-1.29;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM408275;MM408275;CCC1=C(C)CC(C#N)=C1;JBNPURZUKUSFKK-UHFFFAOYSA-N;133.19;2.57;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC1_SN0";;;;;;;3.21;;0.46;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM408276;MM408276;C#CCc1ncc(CF)o1;USBSULARIBAWLH-UHFFFAOYSA-N;139.13;1.32;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNa_SNa";;;;;;;0.87;;-2.22;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM408277;MM408277;COc1cnn(C=N)c1C;OUIIATYZOUDKJK-UHFFFAOYSA-N;139.16;0.66;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNa_SP1";;;;;;;0.04;;-2.54;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM408278;MM408278;C=CC#CCC(CC)CC;XRUJKNKTNUMFSW-UHFFFAOYSA-N;136.24;3;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1_C4";;;;;;;4.24;;0.42;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM408279;MM408279;C=CNC(=N)C(CO)OC;NCHIDCIDTSLLBV-UHFFFAOYSA-N;144.17;-0.3;;;;;DOPC;MDCG;27;1;"MARTINI bead: P2_P2";;;;;;;-1.34;;-7.25;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM408280;MM408280;C=CC(=NC)NN1CC1C;ZVAJTBHLDDEVOP-UHFFFAOYSA-N;139.2;0.41;;;;;DOPC;MDCG;27;1;"MARTINI bead: N0_SP2";;;;;;;0.06;;-4.85;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM408281;MM408281;C#CC1=CC(CC)=C(C)C1;SUMPOFBKYYTQIJ-UHFFFAOYSA-N;132.21;2.68;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC1_SC5";;;;;;;3.68;;0.46;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM408282;MM408282;C=Cn1ncc(OC)c1N;QKMFIUALDYAAAT-UHFFFAOYSA-N;139.16;0.57;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNa_SP1";;;;;;;0.04;;-2.54;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM408283;MM408283;C#CC(C)COC=NN;UXMRNAQOXFLGBY-UHFFFAOYSA-N;126.16;0.17;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_P1";;;;;;;0.81;;-0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM408284;MM408284;CCC(CC)CC#CC=O;ZLKQAYVTQDCQEX-UHFFFAOYSA-N;138.21;2.02;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1_P1";;;;;;;2.08;;0.48;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM408285;MM408285;COC(CO)C(=N)NC=O;DVBXXUIYELLQFN-UHFFFAOYSA-N;146.15;-1.28;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_P4";;;;;;;-2.29;;-5.95;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM408286;MM408286;C#CC(=CC)CC1CC1C;FKVHNKPRLPONDU-UHFFFAOYSA-N;134.22;2.61;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4_SC5";;;;;;;2.97;;0.45;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM408287;MM408287;C=CC1=C(C)CC(CC)=C1;NUOJQUBOELLZOA-UHFFFAOYSA-N;134.22;3.23;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC3_SC3";;;;;;;4.27;;0.2;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM408288;MM408288;COc1cnn(C=N)c1N;YZCFFCUSVYGEOE-UHFFFAOYSA-N;140.15;-0.07;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNa_SP2";;;;;;;-0.24;;-3.24;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM408289;MM408289;C#CCc1ncc(OC)o1;AOMCTLNXQGKLFN-UHFFFAOYSA-N;137.14;0.86;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNa_SNa";;;;;;;0.87;;-2.22;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM408290;MM408290;CCC(CC)CC#CC#N;HTPDTURLBZCVJX-UHFFFAOYSA-N;135.21;2.34;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1_N0";;;;;;;3.21;;0.46;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM408291;MM408291;COC(CF)C(=N)NC=O;PYHUGFWGKYNVFT-UHFFFAOYSA-N;148.14;-0.31;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_P4";;;;;;;-1.19;;-4.76;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM408292;MM408292;C#CC(=CF)CC1CC1C;ZXEATDNHDAABIY-UHFFFAOYSA-N;138.19;2.52;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC5_C5";;;;;;;2.41;;0.64;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM408293;MM408293;C=CC1=C(C)CC(CN)=C1;PXHUDABOMVMRFW-UHFFFAOYSA-N;135.21;1.78;;;;;DOPC;MDCG;27;1;"MARTINI bead: SC3_SNd";;;;;;;2.57;;-0.95;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM408294;MM408294;C=Nn1ncc(CC)c1C;UVXXMQDSJTTXKF-UHFFFAOYSA-N;137.19;1.22;;;;;DOPC;MDCG;27;0;"MARTINI bead: SN0_SNa";;;;;;;1.17;;-1.18;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM408295;MM408295;C=CC#CCC(CC)CN;IWEGCOWGVHPDNB-UHFFFAOYSA-N;137.23;1.55;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_C4";;;;;;;2.2;;-2.2;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM408296;MM408296;C#CCc1nnc(CC)o1;ZFTSTALMIINZJX-UHFFFAOYSA-N;136.15;0.81;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNa_SNa";;;;;;;0.87;;-2.22;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM408297;MM408297;CCC(OC)C(=O)NC=O;RRQAZZDUUXPOSE-UHFFFAOYSA-N;145.16;-0.32;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_P3";;;;;;;-0.33;;-2.01;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM408298;MM408298;C#CC(=CC)CC1CC1N;DTAJHOCGQCIBLL-UHFFFAOYSA-N;135.21;1.3;;;;;DOPC;MDCG;27;1;"MARTINI bead: C4_SP1";;;;;;;1.37;;-2.57;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM408299;MM408299;C=CC1=C(C)CC(CO)=C1;UTKCREPFTBAVQM-UHFFFAOYSA-N;136.19;1.81;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC3_SNda";;;;;;;2.57;;0.44;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM408300;MM408300;C=Nn1ncc(CN)c1C;CQCPGJZYBVKDQJ-UHFFFAOYSA-N;138.17;0.11;;;;;DOPC;MDCG;27;1;"MARTINI bead: SP2_SNa";;;;;;;-0.24;;-4.54;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM408301;MM408301;CC=NNC(N)=C(F)C=O;PLFGZEIOJKZGJS-UHFFFAOYSA-N;145.14;-0.12;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_P2";;;;;;;0.54;;-1.09;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM408302;MM408302;C#CCc1nnc(CO)o1;PSRRSNCJPZHJKP-UHFFFAOYSA-N;138.13;-0.26;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP2_SNa";;;;;;;-0.24;;-3.24;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM408303;MM408303;COC(CO)C(=O)NC=N;VAFNLLRASGJFKK-UHFFFAOYSA-N;146.15;-1.28;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_P4";;;;;;;-2.29;;-5.95;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM408304;MM408304;C=C(C)C1CC1(O)CC;YIJROGTZNPNLDW-UHFFFAOYSA-N;126.2;1.72;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNda_C4";;;;;;;2.2;;0.49;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM408305;MM408305;C=CC1=C(C)CC(CF)=C1;OSTORMHYJCEKTC-UHFFFAOYSA-N;138.19;2.79;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC3_SC5";;;;;;;3.34;;0.48;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM408306;MM408306;C=NNC(=N)OCC(=C)C;BKSVVGBBYCRFSP-UHFFFAOYSA-N;141.17;0.72;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4_P2";;;;;;;1.09;;-0.38;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM408307;MM408307;CC=CC=NN=C(N)C=O;RYJUGHNQUKUPJT-UHFFFAOYSA-N;139.16;0.1;;;;;DOPC;MDCG;27;0;"MARTINI bead: C2_P3";;;;;;;0.86;;-0.3;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM408308;MM408308;C#CCc1nnc(CF)o1;NCFKVZOFDSEFFU-UHFFFAOYSA-N;140.12;0.71;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP1_SNa";;;;;;;0.04;;-2.54;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM408309;MM408309;C#CC(=NN)OC(=C)C;BRCRXGVQBLLLNS-UHFFFAOYSA-N;124.14;0.44;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4_P2";;;;;;;1.09;;-0.38;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM408310;MM408310;C=CNC(=O)C(CF)OC;BWTVTJIDIPQDGJ-UHFFFAOYSA-N;147.15;0.23;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_P2";;;;;;;-0.24;;-3.24;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM408311;MM408311;C=CC1=C(C)CC(OC)=C1;OWUWNISDOQHICN-UHFFFAOYSA-N;136.19;2.42;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC5_SC3";;;;;;;3.34;;0.48;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM408312;MM408312;CC#CC=NN=C(N)C=O;BUSMKIMNHYWAFC-UHFFFAOYSA-N;137.14;-0.45;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_P2";;;;;;;0.54;;-1.09;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM408313;MM408313;C=Nn1ncc(CC)c1N;FVEHBSCOUVXPCV-UHFFFAOYSA-N;138.17;0.49;;;;;DOPC;MDCG;27;0;"MARTINI bead: SN0_SP1";;;;;;;0.34;;-1.53;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM408314;MM408314;C#CC(=CC)CC1CC1F;ITXNMDJFHKZSHD-UHFFFAOYSA-N;138.19;2.31;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4_SNa";;;;;;;2.2;;0.34;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM408315;MM408315;C#CCc1nnc(NC)o1;XAHMIKMMULAYAH-UHFFFAOYSA-N;137.14;0.29;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP1_SNa";;;;;;;0.04;;-2.54;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM408316;MM408316;C=Cc1cc(CN)[nH]c1C;JLIYDKSFHQCMOL-UHFFFAOYSA-N;136.2;1.42;;;;;DOPC;MDCG;27;1;"MARTINI bead: SP1_SC5";;;;;;;0.81;;-1.93;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM408317;MM408317;COC(CF)C(=O)NC=N;PBKDUPZNIJFVPZ-UHFFFAOYSA-N;148.14;-0.31;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_P4";;;;;;;-1.19;;-4.76;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM408318;MM408318;C=CC#CCC(CC)CF;FDGNSNCNVMXQJH-UHFFFAOYSA-N;140.2;2.56;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4_C4";;;;;;;3.53;;0.53;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM408319;MM408319;C#CC1CC(O)(C(C)C)C1;RFKUEXYZYMXRLM-UHFFFAOYSA-N;138.21;1.42;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC5_SC5";;;;;;;2.41;;0.64;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM408320;MM408320;C#CC(=CF)CC1CC1F;DGODZQLBCJZGFC-UHFFFAOYSA-N;142.15;2.22;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_SNa";;;;;;;1.64;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM408321;MM408321;C#CCc1nnc(OC)o1;CVXMLTBNNZCCIU-UHFFFAOYSA-N;138.13;0.25;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP1_SNa";;;;;;;0.04;;-2.54;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM408322;MM408322;COC(CF)C(=O)NC=O;UTUMRCOYJLMUAS-UHFFFAOYSA-N;149.12;-0.76;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_P4";;;;;;;-1.19;;-4.76;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM408323;MM408323;C=CC1=CC(C=C)=C(C)C1;QSKFJIBOCONUQS-UHFFFAOYSA-N;132.21;3.01;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC3_SC4";;;;;;;3.9;;0.47;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM408324;MM408324;CCC(CF)CC#CC=O;USASSOLOIMGORJ-UHFFFAOYSA-N;142.17;1.57;;;;;DOPC;MDCG;27;0;"MARTINI bead: C2_P1";;;;;;;2;;0.29;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM408325;MM408325;N#CC(N)=C(CO)C(=O)O;FBUXZOWILYHDRM-UHFFFAOYSA-N;142.11;-1.2;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_P1";;;;;;;-1.06;;-9.02;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM408326;MM408326;C=CC1=CC=C(CCC)C1;KJUDGQDBLZDLPY-UHFFFAOYSA-N;134.22;3.23;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC1_SC4";;;;;;;4.24;;0.42;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM408327;MM408327;C#CC(CC1CC1C)=NN;OKCPGAIHMLSNDZ-UHFFFAOYSA-N;136.2;0.98;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC5_Nd";;;;;;;1.64;;0.02;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM408328;MM408328;C=NNC(=O)C(CF)OC;ZIWVXLRNENVZIY-UHFFFAOYSA-N;148.14;-0.3;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_P1";;;;;;;0.04;;-2.54;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM408329;MM408329;C=CC1=C(C)CC(C=O)=C1;REGNNCXFSZCVHQ-UHFFFAOYSA-N;134.18;2.02;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC3_SNa";;;;;;;2.57;;0.45;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM408330;MM408330;CCC(CF)CC#CC#N;PBRYUISBZDFGIF-UHFFFAOYSA-N;139.17;1.9;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4_N0";;;;;;;2.5;;0.44;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM408331;MM408331;C=Nn1ncc(NC)c1C;CFAWLVGFHUELNH-UHFFFAOYSA-N;138.17;0.7;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNd_SNa";;;;;;;0.87;;-1.88;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM408332;MM408332;C=CC1=CC=C(CCN)C1;SQNCASURKDLTNH-UHFFFAOYSA-N;135.21;1.78;;;;;DOPC;MDCG;27;1;"MARTINI bead: SNd_SC4";;;;;;;2.2;;-2.17;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM408333;MM408333;C#CC(CC1CC1C)=NO;ZCUUPSPXNCQOBH-UHFFFAOYSA-N;137.18;1.5;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC5_Nda";;;;;;;1.64;;0.05;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM408334;MM408334;C=COC(=C)C(CN)CN;CMYUKKGVCRUUSC-UHFFFAOYSA-N;142.2;0.19;;;;;DOPC;MDCG;27;1;"MARTINI bead: P3_C5";;;;;;;-0.33;;-4.62;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM408335;MM408335;C=CC1=C(C)CC(C#N)=C1;KRAYSKUVRVGRTP-UHFFFAOYSA-N;131.18;2.34;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC3_SN0";;;;;;;2.87;;0.37;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM408336;MM408336;O=CC#CCC(CO)CO;HQMKYBZPUKVSMT-UHFFFAOYSA-N;142.15;-0.82;;;;;DOPC;MDCG;27;0;"MARTINI bead: P3_C5";;;;;;;-0.33;;-2.01;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM408337;MM408337;CCCC1=CC=C(C=O)C1;RALRNVBLBDBECH-UHFFFAOYSA-N;136.19;2.24;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC1_SNa";;;;;;;2.91;;0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM408338;MM408338;C=Nn1ncc(NC)c1N;JUDYIEUQJOEECZ-UHFFFAOYSA-N;139.16;-0.03;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNd_SP1";;;;;;;0.04;;-2.63;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM408339;MM408339;C#CC(CC1CC1N)=NO;USAHOCTYPLZFTH-UHFFFAOYSA-N;138.17;0.19;;;;;DOPC;MDCG;27;1;"MARTINI bead: SP1_Nda";;;;;;;0.04;;-6.1;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM408340;MM408340;C=CC1=CC(C=O)=C(C)C1;UUJAMLZTFIDGED-UHFFFAOYSA-N;134.18;2.02;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNa_SC4";;;;;;;2.2;;0.34;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM408341;MM408341;C=COC(=C)C(CN)CF;RBVKHVCNRWOCKL-UHFFFAOYSA-N;145.18;1.2;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1_C5";;;;;;;0.81;;-3.1;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM408342;MM408342;C=CC#CCC(CO)CF;SEPWDSRJYIUXFJ-UHFFFAOYSA-N;142.17;1.14;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_C4";;;;;;;1.37;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM408343;MM408343;C=Nn1ncc(OC)c1C;OXAJUHXMOHIDOU-UHFFFAOYSA-N;139.16;0.66;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNa_SNa";;;;;;;0.87;;-2.22;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM408344;MM408344;CCCC1=CC=C(C#N)C1;PEPGHBILSCBDAP-UHFFFAOYSA-N;133.19;2.57;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC1_SN0";;;;;;;3.21;;0.46;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM408345;MM408345;CC1=C(C#N)C=C(C#N)C1;CQHHNVSDLPZANX-UHFFFAOYSA-N;130.15;1.68;;;;;DOPC;MDCG;27;0;"MARTINI bead: SN0_SN0";;;;;;;1.47;;-0.05;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM408346;MM408346;CNN=CN(N)C(C)=O;TXIVDPAAXDTMHB-UHFFFAOYSA-N;130.15;-1.13;;;;;DOPC;MDCG;27;0;"MARTINI bead: P3_Na";;;;;;;-1.1;;-4.2;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM408347;MM408347;C=NOC(=O)C(CN)CF;VWIQUXSPBCANNW-UHFFFAOYSA-N;148.14;-0.31;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1_P1";;;;;;;-0.79;;-4.95;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM408348;MM408348;N#CC#CCC(CF)CF;YEXZHENBLZGJFO-UHFFFAOYSA-N;143.14;1.46;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_N0";;;;;;;1.17;;-1.18;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM408349;MM408349;C=Cn1nnc(CC)c1C;WTOVSJKMPWYULB-UHFFFAOYSA-N;137.19;1.25;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNa_SP1";;;;;;;0.04;;-2.54;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM408350;MM408350;C#CC(CC1CC1O)=NO;IJKAFRGCZOFZLT-UHFFFAOYSA-N;139.15;0.22;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda_SP1";;;;;;;0.04;;-2.73;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM408351;MM408351;C#CC1=CC(C=C)=C(C)C1;FGJJFAITGPCVQM-UHFFFAOYSA-N;130.19;2.45;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC3_SC5";;;;;;;3.34;;0.48;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM408352;MM408352;C=CC1=CC=C(CNC)C1;UABWQGMBYJUQQZ-UHFFFAOYSA-N;135.21;1.65;;;;;DOPC;MDCG;27;1;"MARTINI bead: SNd_SC4";;;;;;;2.2;;-1.93;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM408353;MM408353;C=COC(=C)C(CC)NC;LJKQJMXZAGVWQN-UHFFFAOYSA-N;141.21;1.66;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_C5";;;;;;;1.64;;-1.68;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM408354;MM408354;C=CC#CCC(CC)NC;UCYGGTYEPSTYKO-UHFFFAOYSA-N;137.23;1.56;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_C4";;;;;;;2.2;;-2.13;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM408355;MM408355;C=Cn1nnc(CO)c1C;BKEJCOUHAZZCJC-UHFFFAOYSA-N;139.16;0.18;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP2_SP1";;;;;;;-1.06;;-3.82;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM408356;MM408356;C#CC(CC1CC1F)=NN;LPHBWDOQFDAWLY-UHFFFAOYSA-N;140.16;0.68;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nd_SNa";;;;;;;0.87;;-1.88;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM408357;MM408357;C#CC1=CC(C#N)=C(C)C1;CKBUEEGSKRESBH-UHFFFAOYSA-N;129.16;1.79;;;;;DOPC;MDCG;27;0;"MARTINI bead: SN0_SC5";;;;;;;1.94;;0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM408358;MM408358;CNCC1=CC=C(C=O)C1;IMCSYCWSTIFVHP-UHFFFAOYSA-N;137.18;0.66;;;;;DOPC;MDCG;27;1;"MARTINI bead: SNd_SNa";;;;;;;0.87;;-4.28;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM408359;MM408359;CNN=COCC#CC=O;WBKYSBXVNBSYOV-UHFFFAOYSA-N;140.14;-0.63;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_C5";;;;;;;0.54;;-1.09;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM408360;MM408360;CCC(CC#CC=O)NC;SXDIXLIFNCZRSZ-UHFFFAOYSA-N;139.2;0.58;;;;;DOPC;MDCG;27;1;"MARTINI bead: C5_P1";;;;;;;0.81;;-2.92;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM408361;MM408361;C=Cn1nnc(CF)c1C;ARLKDZFRAYZOEB-UHFFFAOYSA-N;141.15;1.16;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP1_SP1";;;;;;;-0.79;;-3.13;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM408362;MM408362;C#CC(CC1CC1F)=NO;NEYGKDQSWBLVJK-UHFFFAOYSA-N;141.15;1.2;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda_SNa";;;;;;;0.87;;-1.99;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM408363;MM408363;C#CC1=C(C)CC(CC)=C1;AHGXOIQNYGQXHB-UHFFFAOYSA-N;132.21;2.68;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC3_SC5";;;;;;;3.34;;0.48;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM408364;MM408364;C=COC(=C)C(CO)OC;RWQUQWQWTJJDCF-UHFFFAOYSA-N;144.17;0.67;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_C5";;;;;;;0.54;;-1.09;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM408365;MM408365;CNCC1=CC=C(C#N)C1;LVWCNMXVUVMWPH-UHFFFAOYSA-N;134.18;0.99;;;;;DOPC;MDCG;27;1;"MARTINI bead: SNd_SN0";;;;;;;1.17;;-3.53;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM408366;MM408366;CCC(CC#CC#N)NC;FQUODJPEIXGEGR-UHFFFAOYSA-N;136.2;0.9;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_N0";;;;;;;1.17;;-3.53;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM408367;MM408367;CCc1nnn(C=N)c1C;DPDZKXRVEKMTJX-UHFFFAOYSA-N;138.17;0.6;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNa_SP2";;;;;;;-0.24;;-3.24;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM408368;MM408368;C#CC1=C(C)CC(CN)=C1;JEKOYNJYYQNXQP-UHFFFAOYSA-N;133.19;1.22;;;;;DOPC;MDCG;27;1;"MARTINI bead: SC5_SNd";;;;;;;1.64;;-2.12;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM408369;MM408369;C#CC(=NC)NC1CC1C;NNADCZJWWRULCO-UHFFFAOYSA-N;136.2;0.65;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1_SC5";;;;;;;0.81;;-2.5;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM408370;MM408370;C=NOC(=O)C(CC)OC;JRIULCFVBIDILH-UHFFFAOYSA-N;145.16;0.57;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_P1";;;;;;;0.81;;-0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM408371;MM408371;C=CC1=CC=C(OCC)C1;CZVFRXMBIQYKGI-UHFFFAOYSA-N;136.19;2.42;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC4_SC4";;;;;;;3.53;;0.53;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM408372;MM408372;C=CC#CCC(CF)NC;QOMSJYUIKHDXOG-UHFFFAOYSA-N;141.19;1.12;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1_C4";;;;;;;1.37;;-0.98;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM408373;MM408373;CC(=O)CCNN(C)C=O;VIXCAJCFYCUBIB-UHFFFAOYSA-N;144.17;-0.44;;;;;DOPC;MDCG;27;0;"MARTINI bead: P4_Na";;;;;;;-1.19;;-4.76;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM408374;MM408374;C#CC(=NC)NC1CC1N;KVMBYRGXPVHWKM-UHFFFAOYSA-N;137.19;-0.66;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1_SP1";;;;;;;-0.79;;-4.84;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM408375;MM408375;C#CC1=C(C)CC(CO)=C1;YQWUSTVASWEWRT-UHFFFAOYSA-N;134.18;1.26;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC5_SNda";;;;;;;1.64;;0.05;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM408376;MM408376;C=NOC(=O)C(CN)OC;ONNHQHYQXFVWRV-UHFFFAOYSA-N;146.15;-0.88;;;;;DOPC;MDCG;27;1;"MARTINI bead: P2_P1";;;;;;;-1.06;;-4.96;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM408377;MM408377;CCOC1=CC=C(C=O)C1;CWCIOQQZPWWZMT-UHFFFAOYSA-N;138.17;1.44;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC4_SNa";;;;;;;2.2;;0.34;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM408378;MM408378;C=CC#CCC(CC)OC;VWSKJJPLYUDMAZ-UHFFFAOYSA-N;138.21;1.99;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_C4";;;;;;;2.2;;0.34;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM408379;MM408379;CCc1nnn(C=O)c1C;FRIDRLGXEYIOAN-UHFFFAOYSA-N;139.16;0.19;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNa_SP1";;;;;;;0.04;;-2.54;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM408380;MM408380;C#CC1=C(C)CC(CF)=C1;QVLMHMAKDFXEFT-UHFFFAOYSA-N;136.17;2.24;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC5_SC5";;;;;;;2.41;;0.64;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM408381;MM408381;C#CC(=NC)NC1CC1O;ORYRBKVPLUYMFM-UHFFFAOYSA-N;138.17;-0.63;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1_SP1";;;;;;;-0.79;;-4.53;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM408382;MM408382;CCOC1=CC=C(C#N)C1;SDYBQLXOTMOILF-UHFFFAOYSA-N;135.17;1.76;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC4_SN0";;;;;;;2.5;;0.44;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM408383;MM408383;C=COC(=C)C(OC)OC;WDRVGWMDIIJHEU-UHFFFAOYSA-N;144.17;1.28;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_C5";;;;;;;0.81;;-0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM408384;MM408384;CCC(CC#CC=O)OC;YFUXJXYPWNFUIR-UHFFFAOYSA-N;140.18;1;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4_P1";;;;;;;1.37;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM408385;MM408385;C#CC1=C(C)CC(OC)=C1;PFLIYJGIRZRYQT-UHFFFAOYSA-N;134.18;1.87;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC5_SC5";;;;;;;2.41;;0.64;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM408386;MM408386;C#CC(=NO)NC1CC1O;KYQKBIWYGBLIAX-UHFFFAOYSA-N;140.14;-0.87;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_SP1";;;;;;;-1.06;;-3.82;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM408387;MM408387;Cc1c(CF)nnn1C=O;ZFQBLDYUIDGRTN-UHFFFAOYSA-N;143.12;0.09;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP1_SP1";;;;;;;-0.79;;-3.13;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM408388;MM408388;C=CC1=NN=C(CCC)C1;PSGGAGWYYDHUSU-UHFFFAOYSA-N;136.2;2.17;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC5_SN0";;;;;;;1.94;;0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM408389;MM408389;CCC(CC#CC#N)OC;DNTHLWGSSJIHHR-UHFFFAOYSA-N;137.18;1.33;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_N0";;;;;;;1.17;;-1.18;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM408390;MM408390;C=COC(=O)C(OC)OC;KIEFSNNASGUKIZ-UHFFFAOYSA-N;146.14;0.29;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_N0";;;;;;;0.34;;-1.53;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM408391;MM408391;C#CC(=CC)OC1CC1C;CLKPAIWWMYZLBA-UHFFFAOYSA-N;136.19;1.95;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_SC5";;;;;;;1.64;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM408392;MM408392;C#CC1=C(C)CC(C=C)=C1;RINVJGBWQMOGAS-UHFFFAOYSA-N;130.19;2.45;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC5_SC4";;;;;;;2.97;;0.45;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM408393;MM408393;C=Cn1nnc(CC)c1N;KFKRPOQPUKSPGT-UHFFFAOYSA-N;138.17;0.52;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNa_SP2";;;;;;;-0.24;;-3.24;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM408394;MM408394;C=CC1=NN=C(CCN)C1;KQBQGVJUYIDXAF-UHFFFAOYSA-N;137.19;0.72;;;;;DOPC;MDCG;27;1;"MARTINI bead: SNd_SN0";;;;;;;1.17;;-3.43;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM408395;MM408395;C#CC(=CF)OC1CC1C;NZOSKOTYPSMEKM-UHFFFAOYSA-N;140.16;1.86;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC5_Na";;;;;;;1.64;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM408396;MM408396;CCN(CC)C(=N)NC=O;AVLWMRKOIAJDOT-UHFFFAOYSA-N;143.19;0.01;;;;;DOPC;MDCG;27;1;"MARTINI bead: C5_P3";;;;;;;-0.33;;-4.3;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM408397;MM408397;C=CC#CCC(CN)OC;QLQHPKUVQGMVJJ-UHFFFAOYSA-N;139.2;0.54;;;;;DOPC;MDCG;27;1;"MARTINI bead: P2_C4";;;;;;;1.09;;-2.38;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM408398;MM408398;C#CC1=C(C)CC(C=O)=C1;JWRKIRDXQMVXOJ-UHFFFAOYSA-N;132.16;1.47;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC5_SNa";;;;;;;1.64;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM408399;MM408399;C=Cn1nnc(CO)c1N;IQGZNFMRTOOVEB-UHFFFAOYSA-N;140.15;-0.55;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP2_SP2";;;;;;;-1.34;;-4.31;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM408400;MM408400;C#CC(=CC)OC1CC1N;POLKNDRZLHPXEM-UHFFFAOYSA-N;137.18;0.64;;;;;DOPC;MDCG;27;1;"MARTINI bead: Na_SP1";;;;;;;0.04;;-4.35;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM408401;MM408401;CCCC1=NN=C(C=O)C1;RHBNIDQDPVLQFE-UHFFFAOYSA-N;138.17;1.19;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC5_SNa";;;;;;;1.64;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM408402;MM408402;C=CC#CCC(CO)OC;JXUYPQOLZLAXCZ-UHFFFAOYSA-N;140.18;0.57;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_C4";;;;;;;1.09;;-0.38;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM408403;MM408403;C#CC#CCOC=NNC;HWSDDOYBVFFUPE-UHFFFAOYSA-N;136.15;-0.2;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_C4";;;;;;;1.09;;-0.38;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM408404;MM408404;C#CC1=C(C)CC(C#N)=C1;UMBQSYSJYODDEJ-UHFFFAOYSA-N;129.16;1.79;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC5_SN0";;;;;;;1.94;;0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM408405;MM408405;CCc1nnn(C=N)c1N;HTLVLECIMXXXBX-UHFFFAOYSA-N;139.16;-0.12;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNa_SP2";;;;;;;-0.24;;-3.24;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM408406;MM408406;C#CC(=CF)OC1CC1N;ZTRRVPLYSDMLSR-UHFFFAOYSA-N;141.15;0.55;;;;;DOPC;MDCG;27;1;"MARTINI bead: SP1_Na";;;;;;;0.04;;-4.35;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM408407;MM408407;COC(CO)CC#CC#N;KSZNAMQLRUJMEG-UHFFFAOYSA-N;139.15;-0.09;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_N0";;;;;;;0.06;;-2.21;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM408408;MM408408;CCCC1=NN=C(C#N)C1;JYSBVCHKCYQDOZ-UHFFFAOYSA-N;135.17;1.51;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC5_SN0";;;;;;;1.94;;0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM408409;MM408409;C=CNC(=N)N(CC)NC;MGRUYRWYHWIHBN-UHFFFAOYSA-N;142.21;0.11;;;;;DOPC;MDCG;27;1;"MARTINI bead: C5_P3";;;;;;;-0.33;;-6.12;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM408410;MM408410;C#Cc1cc(C#N)[nH]c1C;BAXMAABAKZWEMD-UHFFFAOYSA-N;130.15;1.18;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNd_SN0";;;;;;;1.17;;-1.04;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM408411;MM408411;N=Cn1nnc(CF)c1N;MQWHEDQDXREQKC-UHFFFAOYSA-N;143.13;-0.22;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP1_SP2";;;;;;;-1.06;;-3.82;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM408412;MM408412;C#CC(=CC)OC1CC1O;MKUUXIYTZBQPTK-UHFFFAOYSA-N;138.17;0.67;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_SP1";;;;;;;0.04;;-2.54;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM408413;MM408413;C=Cc1ccc(CCC)[nH]1;DTEJHQBWVJOCBO-UHFFFAOYSA-N;135.21;2.61;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC4_SN0";;;;;;;2.5;;0.44;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM408414;MM408414;C=CC#CCC(CF)OC;JQICNFKJCNMGEI-UHFFFAOYSA-N;142.17;1.55;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_C4";;;;;;;2.2;;0.34;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM408415;MM408415;O=CC=CCC(O)C1CC1;JACFERSFZVVPRS-UHFFFAOYSA-N;140.18;0.9;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_SNda";;;;;;;0.87;;-1.99;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM408416;MM408416;C#CC1=CC(C#C)=C(C)C1;PIQSQLGKZLEYLK-UHFFFAOYSA-N;128.17;1.9;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC5_SC5";;;;;;;2.41;;0.64;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM408417;MM408417;C#CCCOC(=N)NN=C;TYGYLNHZFIKVPI-UHFFFAOYSA-N;139.16;0.17;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_C5";;;;;;;0.54;;-1.09;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM408418;MM408418;C#CC(=CF)OC1CC1O;ZMZSQOXOABNABD-UHFFFAOYSA-N;142.13;0.58;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP1_Na";;;;;;;0.04;;-2.54;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM408419;MM408419;CCCc1ccc(C#N)[nH]1;VMCVOGUNZMUFIS-UHFFFAOYSA-N;134.18;1.84;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC4_SNd";;;;;;;2.2;;0.32;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM408420;MM408420;C=CC#CCC(OC)OC;CMJJARRKRAWIFO-UHFFFAOYSA-N;140.18;1.18;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_C4";;;;;;;1.37;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM408421;MM408421;C#Cc1cc(C#C)c(C)[nH]1;XPKNZVIZSCNWDL-UHFFFAOYSA-N;129.16;1.29;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNd_SN0";;;;;;;1.17;;-1.04;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM408422;MM408422;CCN(OC)C(=O)NC=O;RSKNDUVRADVYDK-UHFFFAOYSA-N;146.15;-0.26;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_P3";;;;;;;-0.33;;-2.01;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM408423;MM408423;N=c1nnc(=O)nc(O)o1;HQCLIOQOSIDDJN-UHFFFAOYSA-N;142.07;-1.99;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP3_SP4";;;;;;;-3.15;;-10.29;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM408424;MM408424;C#CC(=CC)OC1CC1F;LIPYHKZJZXKTPD-UHFFFAOYSA-N;140.16;1.65;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_SNa";;;;;;;0.87;;-2.22;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM408425;MM408425;C=C(CC)COC=NN;WJXSJOLXIUKTAB-UHFFFAOYSA-N;128.18;0.87;;;;;DOPC;MDCG;27;0;"MARTINI bead: C3_P1";;;;;;;1.74;;0.29;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM408426;MM408426;COC(CC#CC=O)OC;LNFADXVNNLYFIJ-UHFFFAOYSA-N;142.15;0.2;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_C5";;;;;;;0.81;;-0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM408427;MM408427;C=CC1CCC(C)CN1C;HUTSLKYDHYXUTM-UHFFFAOYSA-N;139.24;1.9;;;;;DOPC;MDCG;27;1;"MARTINI bead: SN0_SC5";;;;;;;1.94;;-1.01;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM408428;MM408428;C=NOC(=N)N(CC)OC;MXZGJUIMVOTPGU-UHFFFAOYSA-N;145.16;0.44;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_P1";;;;;;;0.04;;-2.54;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM408429;MM408429;C#CC=NNC(=N)OCC;VVOUGHVCYHCUGL-UHFFFAOYSA-N;139.16;0.17;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_P1";;;;;;;0.81;;-0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM408430;MM408430;C#CC(=CF)OC1CC1F;ZYGXQWPBUNHLFI-UHFFFAOYSA-N;144.12;1.56;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_SNa";;;;;;;0.87;;-2.22;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM408431;MM408431;C=CC(=C)COC=NN;ZTAGMMKAGHXEFV-UHFFFAOYSA-N;126.16;0.65;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_C4";;;;;;;1.37;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM408432;MM408432;C=C1CCN(C=N)C(C)C1;FACZAGSNXNPINI-UHFFFAOYSA-N;138.21;1.63;;;;;DOPC;MDCG;27;1;"MARTINI bead: SN0_SNd";;;;;;;1.17;;-4.91;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM408433;MM408433;COC(CC#CC#N)OC;QCZFNCQGRYCRFY-UHFFFAOYSA-N;139.15;0.52;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_N0";;;;;;;1.17;;-1.18;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM408434;MM408434;C=NOC(=O)N(CC)OC;CGCSAVJSIXAWPC-UHFFFAOYSA-N;146.15;0.62;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_P2";;;;;;;0.54;;-1.09;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM408435;MM408435;CCCC(C)=NN=CNC;FUDCXGVDJMAZJB-UHFFFAOYSA-N;141.22;1.41;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1_P3";;;;;;;0.94;;0.03;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM408436;MM408436;CC=NNC=C(C)C#N;KEQDGYPLZFSCOI-UHFFFAOYSA-N;123.16;1.01;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nd_N0";;;;;;;1.17;;-1.04;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM408437;MM408437;C#CC(=C)COC=NN;VKFBVOQSQTWESW-UHFFFAOYSA-N;124.14;0.09;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_N0";;;;;;;0.34;;-1.53;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM408438;MM408438;C=C1CCN(C=O)C(C)C1;QLLAOIURNMZGQJ-UHFFFAOYSA-N;139.2;1.18;;;;;DOPC;MDCG;27;0;"MARTINI bead: SN0_SNda";;;;;;;1.17;;-1.13;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM408439;MM408439;C#CCC(=C)C(CN)CO;MAPFJHXBONAPLA-UHFFFAOYSA-N;139.2;0.13;;;;;DOPC;MDCG;27;1;"MARTINI bead: P2_N0";;;;;;;0.06;;-4.59;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM408440;MM408440;C#CC(=NO)OC1CC1C;CRPBOEBOLCIVMO-UHFFFAOYSA-N;139.15;0.83;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC5_P2";;;;;;;0.54;;-1.09;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM408441;MM408441;C#CCn1cc(N)c(F)n1;TWSNAYRUHUEEOT-UHFFFAOYSA-N;139.13;0.24;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNa_SP1";;;;;;;0.04;;-2.54;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM408442;MM408442;C=CC#CCN(CC)CC;VMUSPSXXVQMKRH-UHFFFAOYSA-N;137.23;1.52;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_C4";;;;;;;2.2;;-0.82;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM408443;MM408443;CC=C(C)COC=NN;ZOQCGCARPVAVRU-UHFFFAOYSA-N;128.18;0.87;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1_P3";;;;;;;0.94;;0.03;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM408444;MM408444;C=CC1CCC(F)CC1=C;PCQHCYHRGQWTAF-UHFFFAOYSA-N;140.2;2.87;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC4_SC1";;;;;;;4.24;;0.42;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM408445;MM408445;C#CCC(=C)C(CN)CF;JNZBGFWRNCDYGQ-UHFFFAOYSA-N;141.19;1.11;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1_C5";;;;;;;0.81;;-3.17;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM408446;MM408446;C#CC(=CC)CC1OC1C;NYYGEMWMRKTUMP-UHFFFAOYSA-N;136.19;1.74;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4_SNa";;;;;;;2.2;;0.34;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM408447;MM408447;C#CC#CCC(CC)CC;HMDTUINUCLHVAS-UHFFFAOYSA-N;134.22;2.45;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1_C4";;;;;;;4.24;;0.42;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM408448;MM408448;C=Cn1nnc(OC)c1C;HXEYWVUIMQTLCU-UHFFFAOYSA-N;139.16;0.7;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP1_SP1";;;;;;;-0.79;;-3.13;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM408449;MM408449;CC(=CF)COC=NN;MEGDDSZVUBJOSO-UHFFFAOYSA-N;132.14;0.78;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4_P1";;;;;;;1.37;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM408450;MM408450;C=NNC(=NC)C(=C)F;IUWIDEMKHJBLLC-UHFFFAOYSA-N;129.14;0.7;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_C5";;;;;;;0.81;;-0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM408451;MM408451;C#CCC(=C)C(CF)CF;YLAOOSRECRFLGH-UHFFFAOYSA-N;144.16;2.12;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_C4";;;;;;;2.2;;0.34;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM408452;MM408452;COc1nnn(C=N)c1C;LPXIVBMNCAFWQV-UHFFFAOYSA-N;140.15;0.05;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP1_SP2";;;;;;;-1.06;;-3.82;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM408453;MM408453;C#CC(=CF)CC1OC1C;MSGQWVMCDSDEJQ-UHFFFAOYSA-N;140.16;1.65;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNa_C5";;;;;;;1.64;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM408454;MM408454;C#CC#CCC(CC)CN;HSSDLMHMDOLDFV-UHFFFAOYSA-N;135.21;1;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_C4";;;;;;;2.2;;-2.2;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM408455;MM408455;CCCc1c[nH]c(C#N)n1;VKDSTQSXTCUGOG-UHFFFAOYSA-N;135.17;1.23;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNda_SNd";;;;;;;0.87;;-1.92;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM408456;MM408456;C#CCC(=O)C(CO)CO;VWDBHEYSFFRRNN-UHFFFAOYSA-N;142.15;-0.82;;;;;DOPC;MDCG;27;0;"MARTINI bead: P3_Na";;;;;;;-1.1;;-4.2;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM408457;MM408457;C=C1NC(=O)CCN1C=O;NSUWIJNPKPVPGL-UHFFFAOYSA-N;140.14;-0.56;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP3_SP1";;;;;;;-1.93;;-4.72;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM408458;MM408458;C#CC(CC1OC1C)=NN;LBCMFSVHFRQDAJ-UHFFFAOYSA-N;138.17;0.11;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNa_Nd";;;;;;;0.87;;-1.88;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM408459;MM408459;C=Nn1nnc(CC)c1C;IUIYZLNRIUZSLI-UHFFFAOYSA-N;138.17;0.61;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNa_SP1";;;;;;;0.04;;-2.54;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM408460;MM408460;CNC(=NOC)N(C)C=O;CLNSCAXDKLVJIS-UHFFFAOYSA-N;145.16;-0.79;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_P2";;;;;;;-1.06;;-3.82;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM408461;MM408461;CC=C(F)COC=NN;OMNHMJRKNOXCAU-UHFFFAOYSA-N;132.14;0.78;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4_P1";;;;;;;1.37;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM408462;MM408462;C#CCC(=C)C(CN)NC;YARNALXKAFTVHX-UHFFFAOYSA-N;138.21;0.11;;;;;DOPC;MDCG;27;1;"MARTINI bead: P3_C5";;;;;;;-0.33;;-4.27;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM408463;MM408463;C=C1CCN(C=O)C(=N)N1;DEJRKWSYUOFWKP-UHFFFAOYSA-N;139.16;-0.11;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP2_SP2";;;;;;;-1.34;;-4.31;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM408464;MM408464;C#CC(CC1OC1C)=NO;YODWYLPLUVBZHJ-UHFFFAOYSA-N;139.15;0.63;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNa_Nda";;;;;;;0.87;;-1.99;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM408465;MM408465;C#CC#CCC(CC)CF;GLSYCNBWGNWCOF-UHFFFAOYSA-N;138.19;2.01;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4_C4";;;;;;;3.53;;0.53;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM408466;MM408466;N=c1c(F)cc(N)nn1N;NJUQRRWAYPJGLW-UHFFFAOYSA-N;143.13;-1.2;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP1_SP2";;;;;;;-1.06;;-3.82;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM408467;MM408467;NN=COCC(F)=CF;KOFAJFRGGYXZJB-UHFFFAOYSA-N;136.1;0.69;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_C5";;;;;;;0.81;;-0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM408468;MM408468;C#CCC(=N)N(CC)CC;BAGVDPISZGAKDZ-UHFFFAOYSA-N;138.21;1.33;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_N0";;;;;;;1.17;;-4.54;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM408469;MM408469;C#CC(=CF)CC1CN1C;ZBAHHIAAGQURRG-UHFFFAOYSA-N;139.17;1.18;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP1_C5";;;;;;;0.81;;-0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM408470;MM408470;CC=C1CCC(C)CC1C;PNVZTWXUUFJCGR-UHFFFAOYSA-N;138.25;3.39;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC1_SC1";;;;;;;4.95;;0.69;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM408471;MM408471;C=Nn1nnc(CC)c1N;RDTIYMJYXNCBEA-UHFFFAOYSA-N;139.16;-0.11;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNa_SP2";;;;;;;-0.24;;-3.24;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM408472;MM408472;C#CC#CCC(CN)CN;ZODIICYPHFQOCX-UHFFFAOYSA-N;136.2;-0.45;;;;;DOPC;MDCG;27;1;"MARTINI bead: P3_C4";;;;;;;0.23;;-3.73;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM408473;MM408473;CCNc1c[nH]c(C#N)n1;JCJINPZOCPSBLV-UHFFFAOYSA-N;136.16;0.71;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNda_SNd";;;;;;;0.87;;-1.92;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM408474;MM408474;C=CC(CC)C(=C)CCC;BBILYSGDEUQUQE-UHFFFAOYSA-N;138.25;3.55;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1_C1";;;;;;;4.95;;0.69;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM408475;MM408475;C=C1CCC(=CC)C(C)C1;NIRKLCQKOXZHKY-UHFFFAOYSA-N;136.24;3.31;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC1_SC3";;;;;;;4.61;;0.31;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM408476;MM408476;C#CC(CC1CN1C)=NN;QSBHRBHBGWIOIO-UHFFFAOYSA-N;137.19;-0.36;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP1_Nd";;;;;;;0.04;;-2.63;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM408477;MM408477;O=Cn1nc(O)c(F)n1;ZKDOXFPXVNKKSG-UHFFFAOYSA-N;131.07;-0.84;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP2_SNda";;;;;;;-0.24;;-8.44;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM408478;MM408478;C#CC#CCC(CN)CF;UMDULPSXGSJWSW-UHFFFAOYSA-N;139.17;0.56;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1_C4";;;;;;;1.37;;-2.63;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM408479;MM408479;N=c1cnc(=NO)[nH]nn1;BAQDBDGEBGAWOF-UHFFFAOYSA-N;140.11;-2.03;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP3_SP3";;;;;;;-3.07;;-10.25;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM408480;MM408480;C=CC(CC)C(=C)CCF;TYLZWZWKUDDLOL-UHFFFAOYSA-N;142.22;3.11;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1_C5";;;;;;;3.68;;0.46;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM408481;MM408481;CC=C1CCC(=N)NC1C;WGSDNYOPUWHBSW-UHFFFAOYSA-N;138.21;1.68;;;;;DOPC;MDCG;27;1;"MARTINI bead: SC5_SNd";;;;;;;1.64;;-4.25;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM408482;MM408482;C=COC(C#CC)=NN;QUODUTZIQMVCPE-UHFFFAOYSA-N;124.14;0.44;;;;;DOPC;MDCG;27;0;"MARTINI bead: N0_Nda";;;;;;;1.17;;-1.13;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM408483;MM408483;Cn1c(N)nc(N)cc1=O;OLMPHFHPDJLTFY-UHFFFAOYSA-N;140.15;-1.06;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP3_SP1";;;;;;;-1.93;;-4.72;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM408484;MM408484;C#CC#CCC(CO)CO;FMCYGUKMBTVPBD-UHFFFAOYSA-N;138.17;-0.39;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_N0";;;;;;;0.06;;-2.21;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM408485;MM408485;CCCc1nc(C#N)c[nH]1;XBNCOXPOWTWNCI-UHFFFAOYSA-N;135.17;1.23;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC5_SNda";;;;;;;1.64;;0.05;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM408486;MM408486;C=C(CCC)C(C=O)CC;RXXNTYJCZZYYPS-UHFFFAOYSA-N;140.23;2.57;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1_C5";;;;;;;3.68;;0.46;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM408487;MM408487;CC(=NO)C(=NO)C(F)F;VXNYMGCCWIVHPZ-UHFFFAOYSA-N;152.1;0.93;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_N0";;;;;;;0.34;;-6.91;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM408488;MM408488;C#CC(=CC)CN1CC1C;ILRWQGAJCGIIQR-UHFFFAOYSA-N;135.21;1.27;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4_SNd";;;;;;;2.2;;0.33;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM408489;MM408489;C=CC1=C(C)C(C=C)C=C1;NZDQWDYLXRYKHF-UHFFFAOYSA-N;132.21;2.86;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC3_SC4";;;;;;;3.9;;0.47;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM408490;MM408490;C#CC#CCC(CF)CF;GMUVGEGZPHOHTQ-UHFFFAOYSA-N;142.15;1.57;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_C4";;;;;;;2.2;;0.34;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM408491;MM408491;CCC(C)=COC=NN;ODQFFVFTIKRCLQ-UHFFFAOYSA-N;128.18;1.22;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1_P3";;;;;;;0.94;;0.03;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM408492;MM408492;C=CC(CN)C(=C)CCN;WHCMDHQDSZJPKR-UHFFFAOYSA-N;140.23;0.65;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1_Nd";;;;;;;0.04;;-5.66;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM408493;MM408493;O=C(O)C(=O)ONC=NO;FHZYSJNTQBTTPD-UHFFFAOYSA-N;148.07;-1.46;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_P1";;;;;;;-0.79;;-8.54;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM408494;MM408494;C#CC(=CF)CN1CC1C;KEJWRIPOKZQACP-UHFFFAOYSA-N;139.17;1.18;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNd_C5";;;;;;;1.64;;0.02;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM408495;MM408495;C=CC1C=CC(C=O)=C1C;BGRUTEKIRDQAFK-UHFFFAOYSA-N;134.18;1.87;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNa_SC4";;;;;;;2.2;;0.34;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM408496;MM408496;C#CC#CCC(CC)NC;UKTAZNFZEXLPMD-UHFFFAOYSA-N;135.21;1.01;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_C4";;;;;;;2.2;;-2.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM408497;MM408497;C=Cc1nc(CCC)n[nH]1;ARMUBJISLPIVOU-UHFFFAOYSA-N;137.19;1.4;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNda_SNda";;;;;;;0.87;;-2.07;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM408498;MM408498;C#CC(CN1CC1C)=NN;VBAODMHKOMPOPI-UHFFFAOYSA-N;137.19;-0.36;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNd_P1";;;;;;;0.04;;-2.63;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM408499;MM408499;C=CC(CN)C(=C)CCF;NTLNCUUPEKBNPK-UHFFFAOYSA-N;143.21;1.66;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_C5";;;;;;;1.64;;-2.63;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM408500;MM408500;NN=c1o[nH]c(=O)oc1=O;RYBXCYITOOFRHS-UHFFFAOYSA-N;145.07;-2.3;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP2_SP2";;;;;;;-1.34;;-4.31;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM408501;MM408501;C=CC1C=CC(C#N)=C1C;WQWVVJUVTLKSOB-UHFFFAOYSA-N;131.18;2.2;;;;;DOPC;MDCG;27;0;"MARTINI bead: SN0_SC4";;;;;;;2.5;;0.44;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM408502;MM408502;C#CC#CCC(CN)NC;ZNIJYHWVPJHDNP-UHFFFAOYSA-N;136.2;-0.44;;;;;DOPC;MDCG;27;1;"MARTINI bead: P3_C4";;;;;;;0.23;;-3.3;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM408503;MM408503;O=Cc1nc(=O)o[nH]1;ZODXZKVKAJVNEM-UHFFFAOYSA-N;114.06;-0.82;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP1_SP3";;;;;;;-1.93;;-9.04;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM408504;MM408504;C#CC(CN1CC1C)=NO;ASCFHLFDZRFOJJ-UHFFFAOYSA-N;138.17;0.15;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNd_P1";;;;;;;0.04;;-2.63;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM408505;MM408505;C=CC1=C(C)C(C=O)C=C1;AAIGFLCYDYZGIU-UHFFFAOYSA-N;134.18;1.87;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC3_SNa";;;;;;;2.57;;0.45;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM408506;MM408506;C=C(CCO)C(C#N)CO;OJSQBMOVRPUNRK-UHFFFAOYSA-N;141.17;0.06;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda_P2";;;;;;;-0.24;;-3.31;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM408507;MM408507;N=c1ncc(=O)oc(O)n1;KXGCEBVVNDWANX-UHFFFAOYSA-N;141.09;-1.39;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP3_SP3";;;;;;;-3.07;;-10.27;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM408508;MM408508;C#CC#CCC(CC)OC;JXTLYBXIOMKIBZ-UHFFFAOYSA-N;136.19;1.44;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_C4";;;;;;;2.2;;0.34;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM408509;MM408509;C#CC(=NN1CC1C)NN;LHRSHGSYGPKOTB-UHFFFAOYSA-N;138.17;-0.9;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP1_P2";;;;;;;-1.06;;-3.82;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM408510;MM408510;CCCc1nc(C#N)n[nH]1;GCZUPSJXHDCBID-UHFFFAOYSA-N;136.16;0.63;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNda_SP1";;;;;;;0.04;;-2.73;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM408511;MM408511;C=CC(CF)C(=C)CCN;DUAYPASMKGKRGL-UHFFFAOYSA-N;143.21;1.66;;;;;DOPC;MDCG;27;1;"MARTINI bead: C5_Na";;;;;;;1.64;;-2.68;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM408512;MM408512;CC1=C(C#N)C=CC1C=O;IYJIOZYUNFCHKR-UHFFFAOYSA-N;133.15;1.21;;;;;DOPC;MDCG;27;0;"MARTINI bead: SN0_SNa";;;;;;;1.17;;-1.17;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM408513;MM408513;CC1CC(F)C=CN1C=N;BKCHRRJGYFWDSE-UHFFFAOYSA-N;142.18;1.54;;;;;DOPC;MDCG;27;1;"MARTINI bead: SNa_SNd";;;;;;;0.87;;-5.05;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM408514;MM408514;C#CC#CCC(CO)OC;BTLWKLPQRVLRQA-UHFFFAOYSA-N;138.17;0.02;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_C4";;;;;;;1.09;;-0.38;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM408515;MM408515;CCC(=CC1CC1C)CC;UWSCRAVLAXJDQN-UHFFFAOYSA-N;138.25;3.39;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1_SC5";;;;;;;3.68;;0.46;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM408516;MM408516;C=CC(CC)C(=O)CCC;GGCDZHSSZQVRPE-UHFFFAOYSA-N;140.23;2.57;;;;;DOPC;MDCG;27;0;"MARTINI bead: C3_C4";;;;;;;3.9;;0.47;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM408517;MM408517;Nc1cn(N)c(=O)nc1N;UEMKVXJOMDXMEC-UHFFFAOYSA-N;141.13;-1.88;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP2_SP1";;;;;;;-1.06;;-3.82;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM408518;MM408518;NN=COC=C(F)CF;XOSZTRQFBSIRPO-UHFFFAOYSA-N;136.1;0.69;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda_Na";;;;;;;0.87;;-1.99;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM408519;MM408519;CCN1C=CC(=O)CC1C;BHDIXVFOOPPSAF-UHFFFAOYSA-N;139.2;1.18;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC4_SP2";;;;;;;1.09;;-0.38;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM408520;MM408520;C#CC#CCC(OC)OC;ZIOLXLFOSJBGBP-UHFFFAOYSA-N;138.17;0.63;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_C4";;;;;;;1.37;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM408521;MM408521;CCC(=CC1CC1C)CN;VXHGWASRLWOISP-UHFFFAOYSA-N;139.24;1.94;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_SC5";;;;;;;1.64;;-2.14;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM408522;MM408522;C=CC(CC)C(=O)CCO;HPVAHPLZTAYDMU-UHFFFAOYSA-N;142.2;1.15;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_P1";;;;;;;0.81;;-0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM408523;MM408523;N#CC1=C(N)C(C=O)C=C1;LOHBGRGVPPPKFS-UHFFFAOYSA-N;134.14;0.11;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNd_SNa";;;;;;;0.87;;-1.88;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM408524;MM408524;CCNc1n[nH]c(C#N)n1;XOADQQPWOFZRQZ-UHFFFAOYSA-N;137.15;0.11;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNda_SP1";;;;;;;0.04;;-2.73;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM408525;MM408525;C=C1C=NN(CC)C(C)C1;BWNDKWQSFIAIFI-UHFFFAOYSA-N;138.21;1.64;;;;;DOPC;MDCG;27;0;"MARTINI bead: SN0_SP1";;;;;;;0.34;;-1.53;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM408526;MM408526;C=CC(CC)CC#CCC;RHDYIWLLJMGEFU-UHFFFAOYSA-N;136.24;3;;;;;DOPC;MDCG;27;0;"MARTINI bead: C3_C1";;;;;;;4.61;;0.31;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM408527;MM408527;CC#CC(=NN)OC=O;ZYOZHCBRJONPSQ-UHFFFAOYSA-N;126.12;-0.55;;;;;DOPC;MDCG;27;0;"MARTINI bead: N0_P1";;;;;;;0.34;;-1.53;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM408528;MM408528;C=CC(CO)C(=O)CCC;SFMQCSQRIJMKGQ-UHFFFAOYSA-N;142.2;1.15;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_P1";;;;;;;0.81;;-0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM408529;MM408529;C=Cc1ccc(CCC)o1;HDLZVNQXBIACCA-UHFFFAOYSA-N;136.19;2.88;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC3_SC5";;;;;;;3.34;;0.48;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM408530;MM408530;C=Cc1ccn(C=C)c1C;OCZUXPIPLDEJLW-UHFFFAOYSA-N;133.19;2.54;;;;;DOPC;MDCG;27;0;"MARTINI bead: SN0_SC5";;;;;;;1.94;;0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM408531;MM408531;C=C1C=CN(C=N)C(C)C1;QRYJLNWVGWTPJG-UHFFFAOYSA-N;136.2;1.76;;;;;DOPC;MDCG;27;1;"MARTINI bead: SN0_SNd";;;;;;;1.17;;-4.23;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM408532;MM408532;C=CC(CC)CC#CCN;QGBQHWVMPIEULH-UHFFFAOYSA-N;137.23;1.55;;;;;DOPC;MDCG;27;1;"MARTINI bead: C1_Nd";;;;;;;2.91;;0.38;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM408533;MM408533;C=CC(CC)C(=C)CNC;RMJYIPYQSCPIOA-UHFFFAOYSA-N;139.24;1.97;;;;;DOPC;MDCG;27;1;"MARTINI bead: C1_P1";;;;;;;2.08;;-0.85;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM408534;MM408534;C=Cn1ccc(C=O)c1C;ASCKFAADSBKZNT-UHFFFAOYSA-N;135.17;1.71;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNa_SC5";;;;;;;1.64;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM408535;MM408535;CCC(=CC1CC1C)CF;KUNAUOMJKGWMQI-UHFFFAOYSA-N;142.22;2.95;;;;;DOPC;MDCG;27;0;"MARTINI bead: C3_SC5";;;;;;;3.34;;0.48;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM408536;MM408536;CCCc1ccc(C=O)o1;VRUAYAKBONDNBE-UHFFFAOYSA-N;138.17;2.04;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC3_SNa";;;;;;;2.57;;0.45;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM408537;MM408537;C=Cn1ncc(O)cc1=O;RYSYVOBDDDLFMS-UHFFFAOYSA-N;138.13;0.05;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP2_SP1";;;;;;;-1.06;;-3.82;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM408538;MM408538;C=Cn1ccc(C#N)c1C;FKXDWTHIAKTXIM-UHFFFAOYSA-N;132.17;1.77;;;;;DOPC;MDCG;27;0;"MARTINI bead: SN0_SC5";;;;;;;1.94;;0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM408539;MM408539;C=CC(CC)CC#CCO;BDMSGIQFEPKQDU-UHFFFAOYSA-N;138.21;1.58;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1_P2";;;;;;;1.8;;0.4;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM408540;MM408540;Cc1c(N)nn(N)c1F;KQUDMHZTZUIZAH-UHFFFAOYSA-N;130.13;-0.37;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP1_SNda";;;;;;;0.04;;-2.73;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM408541;MM408541;C=C(CNC)C(C#N)CC;QKWZMRQJFFTFRX-UHFFFAOYSA-N;138.21;1.31;;;;;DOPC;MDCG;27;1;"MARTINI bead: N0_Nd";;;;;;;1.17;;-2.5;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM408542;MM408542;CCCc1ccc(C#N)o1;ARZJFHDRYFMNJX-UHFFFAOYSA-N;135.17;2.1;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC3_SN0";;;;;;;2.87;;0.37;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM408543;MM408543;CC1CC1C=C(CN)CN;RZNPAZKRFPQFIT-UHFFFAOYSA-N;140.23;0.49;;;;;DOPC;MDCG;27;1;"MARTINI bead: SC5_P5";;;;;;;-0.34;;-5.48;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM408544;MM408544;C=CC(CC)CC#CCF;RSOLHOMCVBLCIJ-UHFFFAOYSA-N;140.2;2.56;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1_Na";;;;;;;2.91;;0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM408545;MM408545;C=Cc1ccn(C=N)c1C;XPLKPOQRBYAOME-UHFFFAOYSA-N;134.18;1.89;;;;;DOPC;MDCG;27;1;"MARTINI bead: SN0_SNd";;;;;;;1.17;;-4.45;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM408546;MM408546;C=CC(CC)C(=O)CNC;CDEZSJVCUZVHNS-UHFFFAOYSA-N;141.21;0.99;;;;;DOPC;MDCG;27;1;"MARTINI bead: C5_P1";;;;;;;0.81;;-1.69;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM408547;MM408547;CN=c1ccc(O)cn1C;ZKKUZQXXAPPQSR-UHFFFAOYSA-N;138.17;0.26;;;;;DOPC;MDCG;27;1;"MARTINI bead: SN0_SNda";;;;;;;1.17;;-4.76;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM408548;MM408548;CC1CC1C=C(CN)CO;NSHGWGHZEZYHMO-UHFFFAOYSA-N;141.21;0.52;;;;;DOPC;MDCG;27;1;"MARTINI bead: SC5_P4";;;;;;;-0.41;;-4.6;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM408549;MM408549;C=Cc1ccc(NCC)o1;QQZRXLWFSALQHQ-UHFFFAOYSA-N;137.18;2.35;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC5_SC5";;;;;;;2.41;;0.64;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM408550;MM408550;CCC#CCC(C=O)CC;DILMOTCZOKKDBZ-UHFFFAOYSA-N;138.21;2.02;;;;;DOPC;MDCG;27;0;"MARTINI bead: C3_C5";;;;;;;3.34;;0.48;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM408551;MM408551;Cn1cc(O)ccc1=NO;UJWLOTIOLCTYOS-UHFFFAOYSA-N;140.14;0.02;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNda_SNda";;;;;;;0.87;;-2.07;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM408552;MM408552;C=CC(CF)C(=O)CNC;QPHWLDJVELDUOO-UHFFFAOYSA-N;145.18;0.55;;;;;DOPC;MDCG;27;1;"MARTINI bead: P2_Na";;;;;;;-0.24;;-4.44;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM408553;MM408553;Cc1c(C=O)ccn1C=N;SVALLBFBMZHARK-UHFFFAOYSA-N;136.15;1.06;;;;;DOPC;MDCG;27;1;"MARTINI bead: SNa_SNd";;;;;;;0.87;;-3.12;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM408554;MM408554;CC1CC1C=C(CN)CF;HAXJLGKIJIWDFZ-UHFFFAOYSA-N;143.21;1.5;;;;;DOPC;MDCG;27;1;"MARTINI bead: SC5_P1";;;;;;;0.81;;-2.65;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM408555;MM408555;CCNc1ccc(C#N)o1;TUPXSWIETDOLEW-UHFFFAOYSA-N;136.15;1.58;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC5_SN0";;;;;;;1.94;;0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM408556;MM408556;CCC#CCC(C#N)CC;ZGCRTMOYUXWVOZ-UHFFFAOYSA-N;135.21;2.34;;;;;DOPC;MDCG;27;0;"MARTINI bead: C3_N0";;;;;;;2.87;;0.37;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM408557;MM408557;C=CC(CC)C(=C)COC;GISCKLRNYUJPGU-UHFFFAOYSA-N;140.23;2.4;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1_Na";;;;;;;2.91;;0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM408558;MM408558;Cc1c(C#N)ccn1C=N;KXTFLJDRUVRXMW-UHFFFAOYSA-N;133.15;1.12;;;;;DOPC;MDCG;27;1;"MARTINI bead: SN0_SNd";;;;;;;1.17;;-2.56;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM408559;MM408559;ON=c1ccc(O)cn1O;NQGVZIDECPLMGB-UHFFFAOYSA-N;142.11;-0.28;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP1_SNda";;;;;;;0.04;;-2.73;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM408560;MM408560;CC1CC1C=C(CO)CO;JKDUUVIKAZRLEO-UHFFFAOYSA-N;142.2;0.55;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC5_P2";;;;;;;0.54;;-1.09;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM408561;MM408561;C=Cc1ncc(CCC)o1;XQBDBVMFJLYSDC-UHFFFAOYSA-N;137.18;2.27;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC5_SNa";;;;;;;1.64;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM408562;MM408562;CCC(C=O)CC#CCO;UATIYMUGYBDUMJ-UHFFFAOYSA-N;140.18;0.6;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_Nda";;;;;;;1.64;;0.05;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM408563;MM408563;CC1=CC(=NN)CC1C;NVYXMYDQYKCJIA-UHFFFAOYSA-N;124.19;1.29;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNd_SC2";;;;;;;2.83;;0.62;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM408564;MM408564;CC1CC1C=C(CO)CF;WJOSKFWSIJDNQP-UHFFFAOYSA-N;144.19;1.53;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC5_Nda";;;;;;;1.64;;0.05;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM408565;MM408565;C=Cc1ccn(C=O)c1C;HJRXLVIXJPJWMN-UHFFFAOYSA-N;135.17;1.48;;;;;DOPC;MDCG;27;0;"MARTINI bead: SN0_SNa";;;;;;;1.17;;-1.18;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM408566;MM408566;CCCc1cnc(C=O)o1;KCFJRQZPFMLXKU-UHFFFAOYSA-N;139.15;1.44;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC5_SP1";;;;;;;0.81;;-0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM408567;MM408567;C=C(COC)C(C=O)CC;WBFBYJBLEXJBJM-UHFFFAOYSA-N;142.2;1.41;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_Na";;;;;;;1.64;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM408568;MM408568;CCC(C#N)CC#CCO;UADNOIJKLPZUAO-UHFFFAOYSA-N;137.18;0.92;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_P2";;;;;;;0.54;;-1.09;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM408569;MM408569;CCCc1cnc(C#N)o1;AFIAYIVXTGSRMF-UHFFFAOYSA-N;136.15;1.5;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC5_SNa";;;;;;;1.64;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM408570;MM408570;Cn1nc(N)cnc1=NO;GWDPIXINHMCTRD-UHFFFAOYSA-N;141.13;-1.31;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP2_SP2";;;;;;;-1.34;;-4.31;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM408571;MM408571;C=C(COC)C(C#N)CC;GMBYXWVHIWFCCE-UHFFFAOYSA-N;139.2;1.74;;;;;DOPC;MDCG;27;0;"MARTINI bead: N0_Na";;;;;;;1.17;;-1.18;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM408572;MM408572;CCC(=CC1CC1N)CC;UKBUJDGZQZSYQN-UHFFFAOYSA-N;139.24;2.08;;;;;DOPC;MDCG;27;1;"MARTINI bead: C1_SP1";;;;;;;2.08;;-0.98;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM408573;MM408573;Cc1c(C=O)ccn1C=O;SPFCFQDKWYCKSB-UHFFFAOYSA-N;137.14;0.65;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNa_SNa";;;;;;;0.87;;-2.22;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM408574;MM408574;CCC(C=O)CC#CCF;FRQINGVJGQGTBP-UHFFFAOYSA-N;142.17;1.57;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_Na";;;;;;;1.64;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM408575;MM408575;C=Cc1cnc(CCC)o1;ZNUFEMVGGUCZSF-UHFFFAOYSA-N;137.18;2.27;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC5_SN0";;;;;;;1.94;;0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM408576;MM408576;NN=CN(N)C(=O)C(=O)O;GUVRDMXONSBUME-UHFFFAOYSA-N;146.11;-2.32;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_P2";;;;;;;-1.06;;-8.89;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM408577;MM408577;CCC(=CC1CC1N)CN;PEOIBKUNUOUVMG-UHFFFAOYSA-N;140.23;0.63;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_SP1";;;;;;;0.04;;-5.39;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM408578;MM408578;C=C(COC)C(C=O)CO;GQPJWEFZBRIHKW-UHFFFAOYSA-N;144.17;;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_P2";;;;;;;-0.24;;-3.24;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM408579;MM408579;Cc1c(C#N)ccn1C=O;QMRPNIUSGGALLW-UHFFFAOYSA-N;134.14;0.71;;;;;DOPC;MDCG;27;0;"MARTINI bead: SN0_SNa";;;;;;;1.17;;-1.18;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM408580;MM408580;CCCc1ncc(C=O)o1;MQJKAKLKQFFJQD-UHFFFAOYSA-N;139.15;1.44;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC5_SP1";;;;;;;0.81;;-0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM408581;MM408581;CCC(C#N)CC#CCF;IXNXUCRJLIRDAS-UHFFFAOYSA-N;139.17;1.9;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_Na";;;;;;;1.64;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM408582;MM408582;CCC(=CC1CC1N)CO;MJCBAPJFZXHZOH-UHFFFAOYSA-N;141.21;0.66;;;;;DOPC;MDCG;27;1;"MARTINI bead: C5_SP1";;;;;;;0.81;;-3.08;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM408583;MM408583;C=Cc1ccn(C=C)c1N;ALWXGIJFJMGHEM-UHFFFAOYSA-N;134.18;1.81;;;;;DOPC;MDCG;27;0;"MARTINI bead: SN0_SNd";;;;;;;1.17;;-1.04;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM408584;MM408584;NN=c1nc(O)oc(=O)[nH]1;IAOJYBYEZZJEOH-UHFFFAOYSA-N;144.09;-2.16;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP3_SP3";;;;;;;-3.07;;-10.27;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM408585;MM408585;C=C(COC)C(C#N)CO;LEOYISUHPSODDV-UHFFFAOYSA-N;141.17;0.32;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_Nda";;;;;;;0.04;;-2.73;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM408586;MM408586;CCCc1ncc(C#N)o1;LMIBWGQOLYAKHY-UHFFFAOYSA-N;136.15;1.5;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC5_SP1";;;;;;;0.81;;-0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM408587;MM408587;C=CC(CN)CC#CCC;DRLFCKYIJRLJNH-UHFFFAOYSA-N;137.23;1.55;;;;;DOPC;MDCG;27;1;"MARTINI bead: C3_Nd";;;;;;;2.57;;-1.46;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM408588;MM408588;NCC(=CC1CC1N)CN;KJKXFFPNXGVYFG-UHFFFAOYSA-N;141.22;-0.82;;;;;DOPC;MDCG;27;1;"MARTINI bead: P5_SP1";;;;;;;-1.94;;-8.37;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM408589;MM408589;N=c1cc(N)nnn1N;RUFGERVOUMEPQV-UHFFFAOYSA-N;126.12;-1.95;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP2_SP3";;;;;;;-2.2;;-5.19;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM408590;MM408590;C=Cn1ccc(C=O)c1N;JRTNBPMNKHVFIB-UHFFFAOYSA-N;136.15;0.98;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNa_SNd";;;;;;;0.87;;-1.88;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM408591;MM408591;COCC(=O)C(C=O)CO;ZWFHOFUAEBMKBT-UHFFFAOYSA-N;146.14;-0.99;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_P2";;;;;;;-1.06;;-3.82;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM408592;MM408592;CCCc1nnc(C#N)o1;RBVHUUXOIXLSEH-UHFFFAOYSA-N;137.14;0.89;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNa_SP1";;;;;;;0.04;;-2.54;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM408593;MM408593;C=CC(CN)CC#CCF;XEONCRCDZNAGMF-UHFFFAOYSA-N;141.19;1.11;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_Na";;;;;;;0.87;;-4.62;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM408594;MM408594;NCC(=CC1CC1N)CF;UEEMSUYTAZORMZ-UHFFFAOYSA-N;144.19;0.19;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1_SP1";;;;;;;-0.79;;-5.86;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM408595;MM408595;CC1CC1(C)C1(O)CC1;RFEXRHLCIYOIAF-UHFFFAOYSA-N;126.2;1.56;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC5_SP1";;;;;;;0.81;;-0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM408596;MM408596;COCC(=O)C(C#N)CO;OSOMFIJIPVRTBZ-UHFFFAOYSA-N;143.14;-0.67;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_P2";;;;;;;-1.06;;-3.82;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM408597;MM408597;C=Cn1ccc(C#N)c1N;OVZXMEXPMVSMLW-UHFFFAOYSA-N;133.15;1.04;;;;;DOPC;MDCG;27;0;"MARTINI bead: SN0_SNd";;;;;;;1.17;;-1.04;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM408598;MM408598;C=CCC1=CC=C(C=C)C1;XNBSWHHAEGDIHB-UHFFFAOYSA-N;132.21;3.01;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC4_SC4";;;;;;;3.53;;0.53;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM408599;MM408599;CC=NOC(=NC=N)NC;GDDCBTXWQZGLOE-UHFFFAOYSA-N;142.16;0.19;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_Nda";;;;;;;-0.24;;-3.31;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM408600;MM408600;NC1CC1C=C(CO)CO;WAAJFZIWNRQMCA-UHFFFAOYSA-N;143.19;-0.76;;;;;DOPC;MDCG;27;1;"MARTINI bead: SP1_P2";;;;;;;-1.06;;-6.41;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM408601;MM408601;Nc1cnc(=NO)n(N)n1;CPMPECDONBNUGX-UHFFFAOYSA-N;142.12;-2.14;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP2_SP3";;;;;;;-2.2;;-5.19;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM408602;MM408602;C=CC(NC)C(=C)CCN;QDNPEZVIAPKVHI-UHFFFAOYSA-N;140.23;0.67;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_P1";;;;;;;0.04;;-5.43;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM408603;MM408603;C=Cc1ccn(C=N)c1N;VTVGIULROCFBDR-UHFFFAOYSA-N;135.17;1.17;;;;;DOPC;MDCG;27;1;"MARTINI bead: SN0_SP1";;;;;;;0.34;;-5.01;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM408604;MM408604;C=CC1=CC=C(CC=O)C1;XHZDJTLDZFESGJ-UHFFFAOYSA-N;134.18;2.02;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC4_SNa";;;;;;;2.2;;0.34;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM408605;MM408605;C=CC(N=CNN)=NN=C;YOZWXIFWZPXUGP-UHFFFAOYSA-N;139.16;-0.32;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_N0";;;;;;;0.34;;-1.53;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM408606;MM408606;CC1C(O)CC2(C)CC12;UDKZEYMCUQDBAD-UHFFFAOYSA-N;126.2;1.41;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNda_SC4";;;;;;;2.2;;0.49;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM408607;MM408607;C=CC(C#N)=NNC1CC1;IPHXAARHWSSDGE-UHFFFAOYSA-N;135.17;0.8;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_SP1";;;;;;;-0.79;;-3.13;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM408608;MM408608;O=C(O)c1cc(=O)onn1;LJVQGOGXKCEXFS-UHFFFAOYSA-N;142.07;-0.87;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP4_SP2";;;;;;;-2.29;;-9.64;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM408609;MM408609;N=Cn1ccc(C=O)c1N;QRMIANMUHRPTFR-UHFFFAOYSA-N;137.14;0.34;;;;;DOPC;MDCG;27;1;"MARTINI bead: SNa_SP1";;;;;;;0.04;;-3.84;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM408610;MM408610;C=C(CCF)C(C=O)OC;SEILEPWJWWJCEH-UHFFFAOYSA-N;146.16;1.12;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_C5";;;;;;;0.81;;-0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM408611;MM408611;C=CC1=CC=C(CC#N)C1;GTADPZJJUGYVTI-UHFFFAOYSA-N;131.18;2.34;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC4_SN0";;;;;;;2.5;;0.44;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM408612;MM408612;CCC#CCC(C=O)CO;JDEUZOZLHMXGLB-UHFFFAOYSA-N;140.18;0.6;;;;;DOPC;MDCG;27;0;"MARTINI bead: C3_P2";;;;;;;1.46;;-0.15;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM408613;MM408613;N#Cc1ccn(C=N)c1N;PQJBJWOJCDFAJD-UHFFFAOYSA-N;134.14;0.4;;;;;DOPC;MDCG;27;1;"MARTINI bead: SN0_SP1";;;;;;;0.34;;-3.09;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM408614;MM408614;CCC(=CC1CC1O)CN;VJJBJQISLJRBCN-UHFFFAOYSA-N;141.21;0.66;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_SP1";;;;;;;0.04;;-4.87;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM408615;MM408615;O=c1oc(O)c([N+](=O)[O-])o1;KGWQCPUICOVWEH-UHFFFAOYSA-N;147.04;-0.15;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP2_N0";;;;;;;0.06;;-7.24;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM408616;MM408616;C=CCC1=CC=C(C=O)C1;BTSWWORWIYJFMF-UHFFFAOYSA-N;134.18;2.02;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC4_SNa";;;;;;;2.2;;0.34;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM408617;MM408617;COC(C=O)C(=O)CCO;DWOTUTHMPUHZDU-UHFFFAOYSA-N;146.14;-0.85;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_P2";;;;;;;-1.06;;-3.82;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM408618;MM408618;CCC#CCC(C#N)CO;BQOWJLDWRASOSJ-UHFFFAOYSA-N;137.18;0.92;;;;;DOPC;MDCG;27;0;"MARTINI bead: C3_P2";;;;;;;1.46;;-0.15;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM408619;MM408619;CCC(=CC1CC1F)CN;PMEFVNWVPADBPG-UHFFFAOYSA-N;143.21;1.64;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_SNa";;;;;;;0.87;;-4.13;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM408620;MM408620;C=Cc1ccn(C=O)c1N;FGWSITBDJHVOSB-UHFFFAOYSA-N;136.15;0.75;;;;;DOPC;MDCG;27;0;"MARTINI bead: SN0_SNda";;;;;;;1.17;;-1.13;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM408621;MM408621;CNc1n[nH]c(N)c1N;HDQLWNZEXKQDBO-UHFFFAOYSA-N;127.15;-0.38;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNda_SP2";;;;;;;-0.24;;-3.31;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM408622;MM408622;C=CCC1=CC=C(C#N)C1;CRMWGFJWDCUIJH-UHFFFAOYSA-N;131.18;2.34;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC4_SN0";;;;;;;2.5;;0.44;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM408623;MM408623;COC(C#N)C(=O)CCO;YKBVQMBOOQNGBI-UHFFFAOYSA-N;143.14;-0.52;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_P1";;;;;;;-0.79;;-3.13;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM408624;MM408624;O=CC(CO)CC#CCO;FWUGBOHOSHSKML-UHFFFAOYSA-N;142.15;-0.82;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda_P2";;;;;;;-0.24;;-3.31;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM408625;MM408625;CCC(=CC1CC1C)OC;CIKCCAJGINDDCM-UHFFFAOYSA-N;140.23;2.58;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4_SC5";;;;;;;2.97;;0.45;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM408626;MM408626;Nc1c(C=O)ccn1C=O;ASHPZVNASQXCJE-UHFFFAOYSA-N;138.13;-0.08;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNa_SNda";;;;;;;0.87;;-1.99;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM408627;MM408627;C#CC(C(=C)C)C(C)(C)O;IGYQENUAYIIZSQ-UHFFFAOYSA-N;138.21;1.58;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4_Nda";;;;;;;2.2;;0.49;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM408628;MM408628;O=CCC1=CC=C(C=O)C1;IMTCFDYOGABJBM-UHFFFAOYSA-N;136.15;1.03;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNa_SNa";;;;;;;0.87;;-2.22;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM408629;MM408629;C=CC(CC)C(=N)NCC;FUPOPFZGBMHCEN-UHFFFAOYSA-N;140.23;1.79;;;;;DOPC;MDCG;27;1;"MARTINI bead: P2_C1";;;;;;;1.8;;-3.5;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM408630;MM408630;C=CC(CF)CC#CCC;BUOKJUHUJOHGQC-UHFFFAOYSA-N;140.2;2.56;;;;;DOPC;MDCG;27;0;"MARTINI bead: C3_C5";;;;;;;3.34;;0.48;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM408631;MM408631;COC(=CC1CC1C)CN;JOQKYZYMJKZRSM-UHFFFAOYSA-N;141.21;1.13;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1_SC5";;;;;;;0.81;;-1.94;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM408632;MM408632;Nc1cnc(=NO)n(O)n1;JWUGVZRNXVTYGV-UHFFFAOYSA-N;143.11;-1.61;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP2_SP3";;;;;;;-2.2;;-5.19;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM408633;MM408633;N#Cc1ccn(C=O)c1N;VIIJZQFTIYXCAJ-UHFFFAOYSA-N;135.13;-0.02;;;;;DOPC;MDCG;27;0;"MARTINI bead: SN0_SNda";;;;;;;1.17;;-1.13;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM408634;MM408634;N#CCC1=CC=C(C=O)C1;PKIUKOLYQBORBA-UHFFFAOYSA-N;133.15;1.36;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNa_SN0";;;;;;;1.17;;-1.18;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM408635;MM408635;C=CC(CN)C(=N)NCC;YDKMYVZULZJOTA-UHFFFAOYSA-N;141.22;0.33;;;;;DOPC;MDCG;27;1;"MARTINI bead: P2_Nd";;;;;;;-0.24;;-7.55;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM408636;MM408636;COC(=CC1CC1C)CO;QLXGJMDMPYTEPU-UHFFFAOYSA-N;142.2;1.17;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda_SC5";;;;;;;1.64;;0.05;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM408637;MM408637;C=CC(CF)CC#CCN;QHLWJDMTEKYYHB-UHFFFAOYSA-N;141.19;1.11;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_C5";;;;;;;1.64;;-1.41;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM408638;MM408638;C#CC1(C#N)NC1C(=O)O;AEQILANJHQJVPC-UHFFFAOYSA-N;136.11;-1.06;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_SP2";;;;;;;-1.06;;-8.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM408639;MM408639;C=Cc1ccn(C=C)c1O;OYNAXVIVPCNHIJ-UHFFFAOYSA-N;135.17;1.94;;;;;DOPC;MDCG;27;0;"MARTINI bead: SN0_SNda";;;;;;;1.17;;-1.13;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM408640;MM408640;N#CC1=CC=C(CC=O)C1;AXDLPYPPTMMDSK-UHFFFAOYSA-N;133.15;1.36;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNa_SN0";;;;;;;1.17;;-1.18;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM408641;MM408641;CCNC(=N)C(C#N)CO;DSCBLZAAFHVSTQ-UHFFFAOYSA-N;141.17;-0.29;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_P3";;;;;;;-1.1;;-5.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM408642;MM408642;CCC1CC(CC)C1O;JOBPZRXHDHNULO-UHFFFAOYSA-N;128.22;1.8;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNda_SC2";;;;;;;2.83;;0.57;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM408643;MM408643;C=CC(CF)CC#CCO;DQJFVCRUNLBBRU-UHFFFAOYSA-N;142.17;1.14;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_C4";;;;;;;1.09;;-0.38;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM408644;MM408644;C=Cn1ccc(C#N)c1O;GINNNFHSYRJCJZ-UHFFFAOYSA-N;134.14;1.17;;;;;DOPC;MDCG;27;0;"MARTINI bead: SN0_SNda";;;;;;;1.17;;-1.13;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM408645;MM408645;O=c1[nH]n(O)c(=O)nc1F;DEHAVHFSKVZJID-UHFFFAOYSA-N;147.07;-1.69;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP3_SP3";;;;;;;-3.07;;-10.27;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM408646;MM408646;N#CCC1=CC=C(C#N)C1;IOLBEDQKLBBQDM-UHFFFAOYSA-N;130.15;1.68;;;;;DOPC;MDCG;27;0;"MARTINI bead: SN0_SN0";;;;;;;1.47;;-0.05;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM408647;MM408647;CNC(=NC1CC1C)NC;YVKOLVJQQSLMQG-UHFFFAOYSA-N;141.22;0.19;;;;;DOPC;MDCG;27;1;"MARTINI bead: P2_SC5";;;;;;;0.54;;-5.92;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM408648;MM408648;C=CC(CF)C(=N)NCC;WWEWDUJBZNVSDP-UHFFFAOYSA-N;144.19;1.34;;;;;DOPC;MDCG;27;1;"MARTINI bead: P2_C5";;;;;;;0.54;;-5.17;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM408649;MM408649;C=CC(CF)CC#CCF;ZYFHFGTYHBZXHS-UHFFFAOYSA-N;144.16;2.12;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_C4";;;;;;;2.2;;0.34;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM408650;MM408650;C=Cc1ccn(C=N)c1O;QVRNNPODJRZETD-UHFFFAOYSA-N;136.15;1.29;;;;;DOPC;MDCG;27;1;"MARTINI bead: SN0_SNda";;;;;;;1.17;;-2.34;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM408651;MM408651;O=Cc1nnc(O)o1;QFBIQAHPDPUMOS-UHFFFAOYSA-N;114.06;-0.41;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP1_SP2";;;;;;;-1.06;;-8.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM408652;MM408652;C=CC1=CC=C(NC=N)C1;KFEMTRXHQUUOEY-UHFFFAOYSA-N;134.18;1.58;;;;;DOPC;MDCG;27;1;"MARTINI bead: SC4_SNd";;;;;;;2.2;;-2.94;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM408653;MM408653;CNC(=NC1CC1C)NO;NOSFOGYXSFCWFM-UHFFFAOYSA-N;143.19;-0.05;;;;;DOPC;MDCG;27;1;"MARTINI bead: P3_SC5";;;;;;;-0.33;;-4.95;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM408654;MM408654;CCNC(=O)C(C=O)CO;SKJFVOUKHTYROL-UHFFFAOYSA-N;145.16;-1.07;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_P2";;;;;;;-1.06;;-3.82;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM408655;MM408655;C=Cc1ccn(C=C)c1F;AJEBJVGRECZTJN-UHFFFAOYSA-N;137.16;2.37;;;;;DOPC;MDCG;27;0;"MARTINI bead: SN0_SC5";;;;;;;1.94;;0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM408656;MM408656;CCC#CCC(C=O)CF;GHIFQCQBWNQLBM-UHFFFAOYSA-N;142.17;1.57;;;;;DOPC;MDCG;27;0;"MARTINI bead: C3_P1";;;;;;;1.74;;0.29;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM408657;MM408657;C=CC1=CC=C(NC=O)C1;ZLXIHJDPLPQLST-UHFFFAOYSA-N;135.17;1.13;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC4_SNda";;;;;;;2.2;;0.49;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM408658;MM408658;CNn1[nH]c(=O)n(O)c1=O;HNQDCUGVDGJJHT-UHFFFAOYSA-N;146.11;-2.25;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP2_SP3";;;;;;;-2.2;;-9.61;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM408659;MM408659;CC1CC1N=C(NN)NN;VJSPYOJJWIVAAA-UHFFFAOYSA-N;143.19;-1.32;;;;;DOPC;MDCG;27;1;"MARTINI bead: SC5_P4";;;;;;;-0.41;;-6.03;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM408660;MM408660;CCNC(=O)C(C#N)CO;YPIOTALURVEIFI-UHFFFAOYSA-N;142.16;-0.75;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_P2";;;;;;;-1.06;;-3.82;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM408661;MM408661;C=Cn1ccc(C#N)c1F;OUFYQBUVTDTMEJ-UHFFFAOYSA-N;136.13;1.6;;;;;DOPC;MDCG;27;0;"MARTINI bead: SN0_SC5";;;;;;;1.94;;0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM408662;MM408662;CCC#CCC(C#N)CF;KZRMCRHIYAUFBE-UHFFFAOYSA-N;139.17;1.9;;;;;DOPC;MDCG;27;0;"MARTINI bead: C3_Na";;;;;;;2.57;;0.45;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM408663;MM408663;C=Cn1[nH]nc(C#N)c1=O;ATWMUEWYMRBDOS-UHFFFAOYSA-N;136.11;-0.46;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP2_SP1";;;;;;;-1.06;;-8.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM408664;MM408664;N#CC1=CC=C(NC=N)C1;KPZVLAFDCJGKMY-UHFFFAOYSA-N;133.15;0.92;;;;;DOPC;MDCG;27;1;"MARTINI bead: SNd_SN0";;;;;;;1.17;;-4.42;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM408665;MM408665;CC1CC1N=C(NN)NO;JCELAXWKAPVVIO-UHFFFAOYSA-N;144.18;-0.81;;;;;DOPC;MDCG;27;1;"MARTINI bead: SC5_P4";;;;;;;-0.41;;-4.99;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM408666;MM408666;N#Cc1ccn(C=N)c1F;DDFTVWZWOUZFAC-UHFFFAOYSA-N;137.12;0.95;;;;;DOPC;MDCG;27;0;"MARTINI bead: SN0_SNda";;;;;;;1.17;;-1.13;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM408667;MM408667;C=CC(CF)C(=O)NCC;MWLHEWYWTJLNMF-UHFFFAOYSA-N;145.18;0.89;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_C5";;;;;;;0.81;;-0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM408668;MM408668;O=CC(CF)CC#CCF;JJDOLWPLVAEOSV-UHFFFAOYSA-N;146.14;1.13;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_Na";;;;;;;0.87;;-2.22;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM408669;MM408669;N#CC(O)C#CCC(=O)O;UYOZOOZGJIQVAX-UHFFFAOYSA-N;139.11;-0.65;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_P1";;;;;;;-0.79;;-8.56;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM408670;MM408670;N#CC1=CC=C(NC=O)C1;YQBQTPXKFGSRGR-UHFFFAOYSA-N;134.14;0.47;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNda_SN0";;;;;;;1.17;;-1.13;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM408671;MM408671;CNC(=NC1CC1N)NO;PBEPTTOVXCGSJN-UHFFFAOYSA-N;144.18;-1.36;;;;;DOPC;MDCG;27;1;"MARTINI bead: P3_SP1";;;;;;;-1.93;;-7.48;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM408672;MM408672;C=Cc1ccn(N=C)c1C;KGQNHAAPNVQTHI-UHFFFAOYSA-N;134.18;1.9;;;;;DOPC;MDCG;27;1;"MARTINI bead: SN0_SN0";;;;;;;1.47;;-1.44;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM408673;MM408673;CCC(C=O)C(=N)NNC;VVTPKLKASJOVND-UHFFFAOYSA-N;143.19;-0.09;;;;;DOPC;MDCG;27;1;"MARTINI bead: C5_P4";;;;;;;-0.41;;-5.07;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM408674;MM408674;N#CC(CF)CC#CCF;ATSMGEZELOHOPX-UHFFFAOYSA-N;143.14;1.46;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_Na";;;;;;;0.87;;-2.22;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM408675;MM408675;Cc1ccc(NN)c(=O)o1;LEXHXZGTVWQUFN-UHFFFAOYSA-N;140.14;0.23;;;;;DOPC;MDCG;27;0;"MARTINI bead: P3_SNa";;;;;;;-1.1;;-4.2;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM408676;MM408676;C=Nn1ccc(C#N)c1C;UYBNJRPIRHRMEW-UHFFFAOYSA-N;133.15;1.13;;;;;DOPC;MDCG;27;1;"MARTINI bead: SN0_SN0";;;;;;;1.47;;-1.07;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM408677;MM408677;C=COC1=CC=C(C=C)C1;BNZCZUPDYWSKEA-UHFFFAOYSA-N;134.18;2.55;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC5_SC4";;;;;;;2.97;;0.45;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM408678;MM408678;CNC(=NC1CC1F)NC;PYBROWCGGMACSK-UHFFFAOYSA-N;145.18;-0.11;;;;;DOPC;MDCG;27;1;"MARTINI bead: P2_SNa";;;;;;;-0.24;;-7.65;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM408679;MM408679;C=CC(CC#CCC)NC;PVRDOKUAHXRCRP-UHFFFAOYSA-N;137.23;1.56;;;;;DOPC;MDCG;27;1;"MARTINI bead: C3_Nd";;;;;;;2.57;;-0.72;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM408680;MM408680;C=CC(CN)C(=N)NNC;DVGKIRPIORFKQH-UHFFFAOYSA-N;142.21;-0.55;;;;;DOPC;MDCG;27;1;"MARTINI bead: P4_Nd";;;;;;;-1.19;;-7.64;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM408681;MM408681;C=COC1=CC=C(C=O)C1;QSSHQZRJMZLEPE-UHFFFAOYSA-N;136.15;1.56;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC5_SNa";;;;;;;1.64;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM408682;MM408682;CCC(=CC1NC1C)CN;AFKZZXPWGRHKAA-UHFFFAOYSA-N;140.23;0.64;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_SP1";;;;;;;0.04;;-4.87;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM408683;MM408683;C=CC(C=C)CC(C)(C)O;IDMYNYLZUJAROQ-UHFFFAOYSA-N;140.23;2.14;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda_C1";;;;;;;2.91;;0.57;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM408684;MM408684;C=CC(CC#CCF)NC;LXMWNUPWVXCDCF-UHFFFAOYSA-N;141.19;1.12;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_Na";;;;;;;0.87;;-3.81;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM408685;MM408685;C=Cc1ccn(N=C)c1N;QYPDCNQXEMOTSH-UHFFFAOYSA-N;135.17;1.18;;;;;DOPC;MDCG;27;1;"MARTINI bead: SN0_SNd";;;;;;;1.17;;-2.25;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM408686;MM408686;C=CC(CF)C(=N)NNC;MTVOOSGEDAFZTH-UHFFFAOYSA-N;145.18;0.46;;;;;DOPC;MDCG;27;1;"MARTINI bead: P4_C5";;;;;;;-0.41;;-5.26;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM408687;MM408687;CC1NC1C=C(CN)CN;JDYWRXKMGMPLPY-UHFFFAOYSA-N;141.22;-0.81;;;;;DOPC;MDCG;27;1;"MARTINI bead: SP1_P5";;;;;;;-1.94;;-7.98;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM408689;MM408689;N#CCC(F)C(O)C(=O)O;NMKQABWXFXCYCI-UHFFFAOYSA-N;147.11;-0.32;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_P2";;;;;;;-0.24;;-8.41;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM408688;MM408688;C=COC1=CC=C(C#N)C1;ZIPPBHPKPCGCJC-UHFFFAOYSA-N;133.15;1.88;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC5_SN0";;;;;;;1.94;;0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM408690;MM408690;CCC#CCC(C#N)NC;WIEYHHCASDTOGP-UHFFFAOYSA-N;136.2;0.9;;;;;DOPC;MDCG;27;0;"MARTINI bead: C3_P2";;;;;;;1.46;;-0.15;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM408691;MM408691;CC(=O)CN1CC1;AEEJCPCJXABNDT-UHFFFAOYSA-N;99.13;-0.11;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_SP1";;;;;;;0.04;;-2.54;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM408692;MM408692;C=Cc1ncn(C=C)c1C;BQIQXCCBXINUOQ-UHFFFAOYSA-N;134.18;1.94;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNa_SP1";;;;;;;0.04;;-2.54;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM408693;MM408693;CC1NC1C=C(CN)CO;HLZKDPWBABOQNQ-UHFFFAOYSA-N;142.2;-0.78;;;;;DOPC;MDCG;27;1;"MARTINI bead: SP1_P4";;;;;;;-2.01;;-6.96;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM408694;MM408694;C=CN=C1CC(C#N)=CN1;LTADDYVNPVLKLB-UHFFFAOYSA-N;133.15;0.93;;;;;DOPC;MDCG;27;1;"MARTINI bead: SNd_SP1";;;;;;;0.04;;-4.23;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM408695;MM408695;O=CNCC#CC(=O)O;LWEYDFYCCKTTHN-UHFFFAOYSA-N;127.1;-1.18;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_P1";;;;;;;-0.79;;-7.94;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM408696;MM408696;CC=C1CC=C(C)CC1C;LBWPQQQIVGSGFO-UHFFFAOYSA-N;136.24;3.31;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC1_SC2";;;;;;;4.87;;0.53;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM408697;MM408697;C=CC(CC#CCC)OC;AOIAZQQYUQRHGI-UHFFFAOYSA-N;138.21;1.99;;;;;DOPC;MDCG;27;0;"MARTINI bead: C3_Na";;;;;;;2.57;;0.45;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM408698;MM408698;C=Cn1cnc(C=O)c1C;BDTRQMMXZIYLOF-UHFFFAOYSA-N;136.15;1.1;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP1_SP1";;;;;;;-0.79;;-3.13;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM408699;MM408699;C=CCC1=NN=C(C=C)C1;YTIFCYKELMHAOV-UHFFFAOYSA-N;134.18;1.95;;;;;DOPC;MDCG;27;0;"MARTINI bead: SN0_SN0";;;;;;;1.47;;-0.05;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM408700;MM408700;C=Cn1cnc(C#N)c1C;GCKRNCFRRWPCNI-UHFFFAOYSA-N;133.15;1.16;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNa_SP1";;;;;;;0.04;;-2.54;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM408701;MM408701;CC1NC1C=C(CN)CF;MRXMLEBLHSOHOR-UHFFFAOYSA-N;144.19;0.2;;;;;DOPC;MDCG;27;1;"MARTINI bead: SP1_P1";;;;;;;-0.79;;-5.3;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM408702;MM408702;CCNC(=N)C(C#N)NC;QUJUSKZTGQHUSJ-UHFFFAOYSA-N;140.19;-0.32;;;;;DOPC;MDCG;27;1;"MARTINI bead: C5_P3";;;;;;;-0.33;;-3.07;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM408703;MM408703;C=CC(CC#CCN)OC;FJERKJPTYGABCL-UHFFFAOYSA-N;139.2;0.54;;;;;DOPC;MDCG;27;1;"MARTINI bead: Na_Nd";;;;;;;0.87;;-3.38;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM408704;MM408704;N#CCC(O)(CO)C(=O)O;NRHLWLJYUDCYOB-UHFFFAOYSA-N;145.11;-1.29;;;;;DOPC;MDCG;27;0;"MARTINI bead: P3_P1";;;;;;;-1.93;;-9.07;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM408705;MM408705;Cc1c(C=O)ncn1C=N;MFQFLHAULIHGFN-UHFFFAOYSA-N;137.14;0.46;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP1_SP1";;;;;;;-0.79;;-3.13;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM408706;MM408706;C=CC(CC#CCO)OC;XDSQIRSXBOLKNU-UHFFFAOYSA-N;140.18;0.57;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_P2";;;;;;;0.54;;-1.09;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM408707;MM408707;COC(=CC(N)=O)C(=O)O;FKCMTMONANWNGC-UHFFFAOYSA-N;145.11;-0.91;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_P1";;;;;;;-1.06;;-8.49;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM408708;MM408708;C#CC(=NN)OC=CC;FZERHAJHLQMUON-UHFFFAOYSA-N;124.14;0.44;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4_P2";;;;;;;1.09;;-0.38;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM408709;MM408709;C=CC1=NN=C(CC#N)C1;AWZSYWSJSRNUEU-UHFFFAOYSA-N;133.15;1.29;;;;;DOPC;MDCG;27;0;"MARTINI bead: SN0_SN0";;;;;;;1.47;;-0.05;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM408710;MM408710;Nc1coc(=NO)c(=O)[nH]1;TYMUXFFXFUOWRT-UHFFFAOYSA-N;143.1;-1.16;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP3_SP2";;;;;;;-2.2;;-5.19;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM408711;MM408711;C=CC(CC#CCF)OC;KUKMWUIMOISIHJ-UHFFFAOYSA-N;142.17;1.55;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_Na";;;;;;;1.64;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM408712;MM408712;Cc1c(C#N)ncn1C=N;BRZRUBFITAZTID-UHFFFAOYSA-N;134.14;0.52;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNa_SP1";;;;;;;0.04;;-2.54;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM408713;MM408713;C=CCC1=NN=C(C=O)C1;AMWCRKBNHAMFAM-UHFFFAOYSA-N;136.15;0.96;;;;;DOPC;MDCG;27;0;"MARTINI bead: SN0_SNa";;;;;;;1.17;;-1.18;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM408714;MM408714;Cc1coc(=NN)c(=O)o1;CRSPBKJMNXHJKF-UHFFFAOYSA-N;142.11;-0.68;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP1_SP1";;;;;;;-0.79;;-3.13;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM408715;MM408715;CCN=C(N)C(C=O)OC;GQIQRXDACOIILC-UHFFFAOYSA-N;144.17;-0.42;;;;;DOPC;MDCG;27;1;"MARTINI bead: C5_P3";;;;;;;-0.33;;-3.66;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM408716;MM408716;CCC(=CC1OC1C)CC;NTWXWQNYHXODKW-UHFFFAOYSA-N;140.23;2.52;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1_SNa";;;;;;;2.91;;0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM408717;MM408717;C=Cc1ncn(C=O)c1C;KBRBVUIHGXICAK-UHFFFAOYSA-N;136.15;0.87;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNa_SP1";;;;;;;0.04;;-2.54;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM408718;MM408718;CCNC(=O)C(C=O)OC;CRQJRJNYKGIOCM-UHFFFAOYSA-N;145.16;-0.66;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_P1";;;;;;;-0.79;;-3.13;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM408719;MM408719;C=CCC1=NN=C(C#N)C1;TUYCOYSEXVFAKR-UHFFFAOYSA-N;133.15;1.29;;;;;DOPC;MDCG;27;0;"MARTINI bead: SN0_SN0";;;;;;;1.47;;-0.05;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM408720;MM408720;Cc1coc(=NO)c(=O)o1;MDOVQGXUNZTHAA-UHFFFAOYSA-N;143.1;-0.17;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP1_SP2";;;;;;;-1.06;;-3.82;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM408721;MM408721;CCC#CCC(C=O)OC;NZFYQBQGQRKDML-UHFFFAOYSA-N;140.18;1;;;;;DOPC;MDCG;27;0;"MARTINI bead: C3_P1";;;;;;;1.74;;0.29;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM408722;MM408722;CCC(=CC1OC1C)CN;RFVJDYUAEYSEPI-UHFFFAOYSA-N;141.21;1.07;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_SNa";;;;;;;0.87;;-4.13;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM408723;MM408723;Cc1c(C=O)ncn1C=O;NVISAWQHGLCFSH-UHFFFAOYSA-N;138.13;0.04;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP1_SP1";;;;;;;-0.79;;-3.13;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM408724;MM408724;C=CC(OC)C(=N)NNC;GGGVHEZDHOVMCK-UHFFFAOYSA-N;143.19;-0.11;;;;;DOPC;MDCG;27;1;"MARTINI bead: P4_Na";;;;;;;-1.19;;-6.62;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM408725;MM408725;CCC#CCC(C#N)OC;SNFQUXUNHVADBY-UHFFFAOYSA-N;137.18;1.33;;;;;DOPC;MDCG;27;0;"MARTINI bead: C3_P1";;;;;;;1.74;;0.29;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM408726;MM408726;CCC1(C)CC(O)(CC)C1;UUJHTODONIMWDT-UHFFFAOYSA-N;142.24;2.34;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC1_SNda";;;;;;;2.91;;0.57;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM408727;MM408727;O=CCC1=NN=C(C=O)C1;RXQZHAMGVJWIPN-UHFFFAOYSA-N;138.13;-0.03;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNa_SNa";;;;;;;0.87;;-2.22;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM408728;MM408728;CCC(=CC1OC1C)CO;MUDFVFOTSZYIIP-UHFFFAOYSA-N;142.2;1.1;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_SNa";;;;;;;1.64;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM408729;MM408729;Cc1c(C#N)ncn1C=O;IZPPDTBMWNXCHX-UHFFFAOYSA-N;135.13;0.1;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNa_SP1";;;;;;;0.04;;-2.54;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM408730;MM408730;CC1ON=CC1F;URDJZQSZSVSBSP-UHFFFAOYSA-N;103.1;0.73;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNa_SNa";;;;;;;0.87;;-2.22;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM408731;MM408731;N#CCC1=NN=C(C=O)C1;ZLECVNXJVOPMAH-UHFFFAOYSA-N;135.13;0.3;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNa_SN0";;;;;;;1.17;;-1.18;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM408732;MM408732;COC(C=O)CC#CCF;BKNQLMBBRCRWCS-UHFFFAOYSA-N;144.15;0.56;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_Na";;;;;;;0.87;;-2.22;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM408733;MM408733;Nc1coc(=NO)c(=O)o1;FNGXTBUEJSSUHR-UHFFFAOYSA-N;144.09;-0.9;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP2_SP2";;;;;;;-1.34;;-4.31;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM408734;MM408734;CC1OC1C=C(CN)CN;AMHXPEKAYJZAPB-UHFFFAOYSA-N;142.2;-0.38;;;;;DOPC;MDCG;27;1;"MARTINI bead: SNa_P5";;;;;;;-1.11;;-7.51;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM408735;MM408735;C=Cn1cnc(C=O)c1N;VFVSBMRNMWETNA-UHFFFAOYSA-N;137.14;0.38;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP1_SP1";;;;;;;-0.79;;-3.13;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM408736;MM408736;CC1OC1C=C(CN)CF;OPNQUNIYZQZARV-UHFFFAOYSA-N;145.18;0.63;;;;;DOPC;MDCG;27;1;"MARTINI bead: SNa_P1";;;;;;;0.04;;-4.7;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM408737;MM408737;COC(C#N)CC#CCF;QLIFFGDPTAAQEL-UHFFFAOYSA-N;141.15;0.89;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_Na";;;;;;;0.87;;-2.22;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM408738;MM408738;N#CC1=NN=C(CC=O)C1;BGMAACBDAGDJCA-UHFFFAOYSA-N;135.13;0.3;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNa_SN0";;;;;;;1.17;;-1.18;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM408739;MM408739;N=CN=CNC(=O)C(=O)O;JJUVYCVDJDECLC-UHFFFAOYSA-N;143.1;-1.18;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_P3";;;;;;;-1.93;;-8.94;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM408740;MM408740;N#CC(=NO)C(F)CO;CQONFNKFDHTHFM-UHFFFAOYSA-N;132.09;-0.33;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_P2";;;;;;;-1.34;;-9.43;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM408741;MM408741;C=Cn1cnc(C#N)c1N;TWOZRUQVRFHZPA-UHFFFAOYSA-N;134.14;0.44;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNa_SP1";;;;;;;0.04;;-2.54;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM408742;MM408742;CC1OC1C=C(CO)CO;PVDSKBLQECYXLG-UHFFFAOYSA-N;144.17;-0.32;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNa_P2";;;;;;;-0.24;;-3.24;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM408743;MM408743;C#CC(C)=COC=NN;AJVNYYGXUPQYNX-UHFFFAOYSA-N;124.14;0.44;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_C5";;;;;;;0.81;;-0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM408744;MM408744;N=c1nn[nH]n(O)c1=NO;CKMLZSSWEGHNGP-UHFFFAOYSA-N;144.09;-2.39;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP3_SP2";;;;;;;-2.2;;-9.61;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM408745;MM408745;C=CC(CC)C(=C)OCC;ANAAMBPTUIKEJS-UHFFFAOYSA-N;140.23;2.75;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_C1";;;;;;;3.68;;0.46;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM408746;MM408746;CCC#CCN(C=N)CC;IOUXRIMRHHCBJA-UHFFFAOYSA-N;138.21;1.33;;;;;DOPC;MDCG;27;1;"MARTINI bead: C5_Nd";;;;;;;1.64;;-2.65;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM408747;MM408747;N=Cn1cnc(C=O)c1N;BRFURRORCLMHMV-UHFFFAOYSA-N;138.13;-0.27;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP1_SP2";;;;;;;-1.06;;-3.82;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM408748;MM408748;NN=c1occ(F)oc1=O;CVUHRNGHECMYGQ-UHFFFAOYSA-N;146.08;-0.85;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP1_SNa";;;;;;;0.04;;-2.54;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM408749;MM408749;CCC(=CC1OC1C)OC;KPVYRFSARPIMHI-UHFFFAOYSA-N;142.2;1.71;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4_SNa";;;;;;;2.2;;0.34;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM408750;MM408750;C=C(OCC)C(C=O)CC;XEBINAUHRUXPDE-UHFFFAOYSA-N;142.2;1.76;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_C5";;;;;;;2.41;;0.64;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM408751;MM408751;CCN(C=N)CC#CCN;URIGKWNKYFFHOR-UHFFFAOYSA-N;139.2;-0.12;;;;;DOPC;MDCG;27;1;"MARTINI bead: P2_Nd";;;;;;;-0.24;;-5.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM408752;MM408752;C=CN=C1CC(C=O)=NN1;STFQWSGGHGQSBL-UHFFFAOYSA-N;137.14;0.08;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNd_SP1";;;;;;;0.04;;-2.63;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM408753;MM408753;N#Cc1ncn(C=N)c1N;GEAKZUYUJVUMEK-UHFFFAOYSA-N;135.13;-0.21;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNa_SP2";;;;;;;-0.24;;-3.24;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM408754;MM408754;CCC(=CC1CN1C)CC;FWDOOKBSYDCJGY-UHFFFAOYSA-N;139.24;2.05;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1_SP1";;;;;;;2.08;;0.49;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM408755;MM408755;CNN=CCC(F)(F)C#N;IVHBLNKQCMKIRZ-UHFFFAOYSA-N;147.13;0.74;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nd_N0";;;;;;;1.17;;-1.04;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM408756;MM408756;CCN(C=N)CC#CCF;RKFXDDPZVHEPIL-UHFFFAOYSA-N;142.18;0.89;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_Na";;;;;;;0.87;;-4.63;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM408757;MM408757;C=C(OCC)C(C#N)CC;SUOJNSNGHDWRAK-UHFFFAOYSA-N;139.2;2.09;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_N0";;;;;;;1.94;;0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM408758;MM408758;C=CN=C1CC(C#N)=NN1;MGZRHYJNOKAUBZ-UHFFFAOYSA-N;134.14;0.4;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNd_SP1";;;;;;;0.04;;-2.63;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM408759;MM408759;C=Cc1ncn(C=O)c1N;FTJVTYFXKNBGSO-UHFFFAOYSA-N;137.14;0.15;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNa_SP2";;;;;;;-0.24;;-3.24;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM408760;MM408760;CCC(=CC1CN1C)CN;UNAXPHXFXCXJIA-UHFFFAOYSA-N;140.23;0.6;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_SP1";;;;;;;0.04;;-4.87;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM408761;MM408761;C=CC(CN)C(=C)OCC;XVNMQOSBBJCHGK-UHFFFAOYSA-N;141.21;1.3;;;;;DOPC;MDCG;27;1;"MARTINI bead: C5_Nd";;;;;;;1.64;;-2.56;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM408762;MM408762;Cc1noc(=NO)c(=O)o1;VCUPVWZZEZZBGR-UHFFFAOYSA-N;144.09;-0.77;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP1_SP2";;;;;;;-1.06;;-3.82;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM408763;MM408763;CCC#CCN(C=O)CC;KXFKMSWYARYILB-UHFFFAOYSA-N;139.2;0.88;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_P1";;;;;;;0.81;;-0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM408764;MM408764;C=CCc1ccc(C=C)[nH]1;WYOJFWTUWBIEJR-UHFFFAOYSA-N;133.19;2.39;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC5_SN0";;;;;;;1.94;;0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM408765;MM408765;CC1CC2(O)C(C)C2C1C;LBXFHPHFRGGQIA-UHFFFAOYSA-N;140.23;1.66;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNda_SC2";;;;;;;2.83;;0.57;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM408766;MM408766;C#CC(=NN)OC=CF;GGZLIKNIHIPFKH-UHFFFAOYSA-N;128.11;0.35;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_C5";;;;;;;0.54;;-1.09;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM408767;MM408767;C=C(OCC)C(C#N)CO;QWOHNWXVHKCEDN-UHFFFAOYSA-N;141.17;0.67;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_P2";;;;;;;0.54;;-1.09;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM408768;MM408768;C=CC1(O)CC(=C)C(C)C1;GKPUMFUARCWSGX-UHFFFAOYSA-N;138.21;1.89;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC5_SC3";;;;;;;3.34;;0.48;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM408769;MM408769;CCN(C=O)CC#CCO;LEURSKQBSDVOLJ-UHFFFAOYSA-N;141.17;-0.54;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_Nda";;;;;;;0.04;;-2.73;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM408770;MM408770;C=Cc1ccc(CC=O)[nH]1;VEHPEQYBURTUMZ-UHFFFAOYSA-N;135.17;1.4;;;;;DOPC;MDCG;27;0;"MARTINI bead: SN0_SNda";;;;;;;1.17;;-1.13;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM408771;MM408771;C#CC1C(C)C(C)(O)C1C;XZZPRNKZQSFLKF-UHFFFAOYSA-N;138.21;1.27;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC4_SNda";;;;;;;2.2;;0.49;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM408772;MM408772;CCC(=CC1CN1C)CF;USMUIOPTUKEHKY-UHFFFAOYSA-N;143.21;1.61;;;;;DOPC;MDCG;27;0;"MARTINI bead: C3_SP1";;;;;;;1.74;;0.29;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM408773;MM408773;CCOC(=O)C(C#N)CC;FCISHUHNFYJJDU-UHFFFAOYSA-N;141.17;1.1;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_N0";;;;;;;1.17;;-1.18;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM408774;MM408774;Nc1noc(=NO)c(=O)o1;BVJLPBTWSNINEP-UHFFFAOYSA-N;145.07;-1.5;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP3_SP2";;;;;;;-2.2;;-5.19;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM408775;MM408775;C=NN(CC)CC#CCC;GLHXGOUJJSKEHU-UHFFFAOYSA-N;138.21;1.34;;;;;DOPC;MDCG;27;0;"MARTINI bead: C3_P1";;;;;;;1.74;;0.29;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM408776;MM408776;C=Cc1ncn(C=C)c1O;CEAOQMXAXWVTTO-UHFFFAOYSA-N;136.15;1.33;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNa_SNda";;;;;;;0.87;;-1.99;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM408777;MM408777;C=Cc1ccc(CC#N)[nH]1;MEVCOCMXRGTQTP-UHFFFAOYSA-N;132.17;1.72;;;;;DOPC;MDCG;27;0;"MARTINI bead: SN0_SNd";;;;;;;1.17;;-1.04;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM408778;MM408778;CN1CC1C=C(CN)CN;XHNANEHWOKSLHB-UHFFFAOYSA-N;141.22;-0.86;;;;;DOPC;MDCG;27;1;"MARTINI bead: SP1_P5";;;;;;;-1.94;;-7.98;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM408779;MM408779;CCOC(=O)C(C=O)CO;QAAGSPOFKHIYOC-UHFFFAOYSA-N;146.14;-0.64;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_P2";;;;;;;-0.24;;-3.24;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM408780;MM408780;N#CCN(C=O)CC(=O)O;CAAJZHUVEMYPFO-UHFFFAOYSA-N;142.11;-0.95;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_P2";;;;;;;-1.06;;-8.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM408781;MM408781;CC(C)NN=c1ocno1;GBGOZTFCHZTFPR-UHFFFAOYSA-N;143.15;0.08;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nd_SP2";;;;;;;-0.24;;-3.16;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM408782;MM408782;C=CCc1ccc(C#N)[nH]1;KRDGPEYZVLDACU-UHFFFAOYSA-N;132.17;1.61;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC5_SNd";;;;;;;1.64;;0.02;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM408783;MM408783;C=Cc1ncn(C=N)c1O;PFBVYJVKOMXRJS-UHFFFAOYSA-N;137.14;0.69;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNa_SP2";;;;;;;-0.24;;-3.24;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM408784;MM408784;C=NNC(=N)OC(=O)C=O;YMGIBWCTBBVCHW-UHFFFAOYSA-N;143.1;-1.13;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_Na";;;;;;;-0.24;;-3.24;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM408785;MM408785;C=C(OCC)C(C#N)NC;PBRWYBWUFJXGEE-UHFFFAOYSA-N;140.19;0.65;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_P2";;;;;;;0.54;;-1.09;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM408786;MM408786;C=NN(CC)CC#CCF;MCGKDLRVOIOHBE-UHFFFAOYSA-N;142.18;0.9;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_C5";;;;;;;0.81;;-0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM408787;MM408787;Oc1nn[nH]n1;JXBKZAYVMSNKHA-UHFFFAOYSA-N;86.05;-1.09;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP1_SP1";;;;;;;-0.79;;-8.56;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM408788;MM408788;N#CCc1ccc(C#N)[nH]1;AXIJHLZTORDINU-UHFFFAOYSA-N;131.14;0.95;;;;;DOPC;MDCG;27;0;"MARTINI bead: SN0_SNd";;;;;;;1.17;;-1.04;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM408789;MM408789;N#CC(=NO)OCC(=O)O;CESCKADGMSXBOK-UHFFFAOYSA-N;144.09;-0.6;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_P1";;;;;;;-0.79;;-8.83;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM408790;MM408790;COC(=CC1CN1C)CN;CPPKNLSMCMPSSI-UHFFFAOYSA-N;142.2;-0.21;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1_SP1";;;;;;;-0.79;;-4.58;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM408791;MM408791;CC1(C)C(O)C1(C)C;JHEGGRPIBKYXPC-UHFFFAOYSA-N;114.19;1.41;;;;;DOPC;MDCG;27;0;"MARTINI bead: P3_SC2";;;;;;;0.86;;-0.3;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM408792;MM408792;NN=c1onc(F)oc1=O;HQWGQGQGGZTGAH-UHFFFAOYSA-N;147.07;-1.46;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP2_SP2";;;;;;;-1.34;;-4.31;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM408793;MM408793;CNN(C=N)CC#CCN;AJLFUUVQXOZWHR-UHFFFAOYSA-N;140.19;-1.01;;;;;DOPC;MDCG;27;1;"MARTINI bead: P4_Nd";;;;;;;-1.19;;-6.27;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM408794;MM408794;C=Cc1ccc(NC=N)[nH]1;CMDMHEMEOUIKTO-UHFFFAOYSA-N;135.17;1.68;;;;;DOPC;MDCG;27;1;"MARTINI bead: SN0_SP1";;;;;;;0.34;;-4.15;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM408795;MM408795;CC#CC(=NN)OC(C)=O;YYAQBEZJVKKUQR-UHFFFAOYSA-N;140.14;-0.16;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda_Na";;;;;;;0.87;;-1.99;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM408796;MM408796;C=Cc1ncn(C=C)c1F;WOIZGXIJQPBVTP-UHFFFAOYSA-N;138.15;1.77;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNa_SNa";;;;;;;0.87;;-2.22;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM408797;MM408797;CCC1=CCC(C)CC1C;NJUOYZZIZWWZCQ-UHFFFAOYSA-N;138.25;3.39;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC1_SC3";;;;;;;4.61;;0.31;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM408798;MM408798;CCOC(=O)C(C#N)NC;BNLJKHYVTHOOQN-UHFFFAOYSA-N;142.16;-0.34;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_P2";;;;;;;-0.24;;-3.24;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM408799;MM408799;CNN(C=N)CC#CCO;WYVPAVBESKOLQG-UHFFFAOYSA-N;141.17;-0.97;;;;;DOPC;MDCG;27;1;"MARTINI bead: P4_Nda";;;;;;;-1.19;;-5.91;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM408800;MM408800;N=CNc1ccc(C=O)[nH]1;ZZZQWKYIIZLYJM-UHFFFAOYSA-N;137.14;0.85;;;;;DOPC;MDCG;27;1;"MARTINI bead: SP1_SNda";;;;;;;0.04;;-4.63;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM408801;MM408801;CCC(CC)=NN1CC1C;GNTNKPYVESUTLE-UHFFFAOYSA-N;140.23;1.87;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4_SP1";;;;;;;1.37;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM408802;MM408802;C=Cn1cnc(C#N)c1F;KPXLVVJSCOSDBD-UHFFFAOYSA-N;137.12;0.99;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNa_SNa";;;;;;;0.87;;-2.22;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM408803;MM408803;CCC=NNC(C)CC#N;OJUCQEXWOCZSRE-UHFFFAOYSA-N;139.2;1.27;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nd_N0";;;;;;;1.17;;-1.04;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM408804;MM408804;N#Cc1ccc(NC=N)[nH]1;IUULOLZCFWQOAK-UHFFFAOYSA-N;134.14;0.91;;;;;DOPC;MDCG;27;1;"MARTINI bead: SP1_SNd";;;;;;;0.04;;-4.67;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM408805;MM408805;CNN(C=N)CC#CCF;JWUMOXPWYJOSGY-UHFFFAOYSA-N;143.17;;;;;;DOPC;MDCG;27;1;"MARTINI bead: P3_C5";;;;;;;-0.33;;-3.03;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM408806;MM408806;C=CC(OC)C(=C)OCC;LXIDTYWONCHMOO-UHFFFAOYSA-N;142.2;1.74;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_Na";;;;;;;1.64;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM408807;MM408807;CC#CC1CC1C(C)(C)O;JJFKQVHVNUNVIU-UHFFFAOYSA-N;138.21;1.42;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC4_Nda";;;;;;;2.2;;0.49;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM408808;MM408808;C=Cc1cnn(C=C)c1C;ZDCULLOVPJYZGQ-UHFFFAOYSA-N;134.18;1.94;;;;;DOPC;MDCG;27;0;"MARTINI bead: SN0_SNa";;;;;;;1.17;;-1.18;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM408809;MM408809;CCC1=CNC(=O)CC1C;GTSWNUVCYDJAGG-UHFFFAOYSA-N;139.2;1.44;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC5_SP1";;;;;;;0.81;;-0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM408810;MM408810;C=COc1ccc(C=C)[nH]1;MBSQQAOJBUWMKS-UHFFFAOYSA-N;135.17;2.18;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNda_SN0";;;;;;;1.17;;-1.13;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM408811;MM408811;CNN(C=O)CC#CCN;IFBXNDHZTHPYEL-UHFFFAOYSA-N;141.17;-1.46;;;;;DOPC;MDCG;27;1;"MARTINI bead: P4_Nd";;;;;;;-1.19;;-6.03;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM408812;MM408812;C=C(OCC)C(C#N)OC;DGFWPHQLUNCUQL-UHFFFAOYSA-N;141.17;1.08;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_P1";;;;;;;0.81;;-0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM408813;MM408813;C=Cn1ncc(C=O)c1C;IKBOKXLFAZAAKQ-UHFFFAOYSA-N;136.15;1.1;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP1_SNa";;;;;;;0.04;;-2.54;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM408814;MM408814;C=CC1=CCC(=C)CC1C;ADKIQPACFOQISO-UHFFFAOYSA-N;134.22;3.08;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC4_SC1";;;;;;;4.24;;0.42;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM408815;MM408815;CNC(=NN1CC1C)NC;YMWKEGANTWTZIW-UHFFFAOYSA-N;142.21;-0.6;;;;;DOPC;MDCG;27;1;"MARTINI bead: P2_SP1";;;;;;;-1.06;;-7.62;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM408816;MM408816;CCC(CC)NN=CC=O;FOVBSBDESPYXAG-UHFFFAOYSA-N;142.2;0.95;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1_P1";;;;;;;2.08;;0.48;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM408817;MM408817;C=COC1=NC(=CO)C=C1;FQMVWOCPCNNJTA-UHFFFAOYSA-N;137.14;1.51;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNda_SC5";;;;;;;1.64;;0.05;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM408818;MM408818;C=CN(CC)C(=O)CCC;XCAOIACKAWAHDI-UHFFFAOYSA-N;141.21;1.78;;;;;DOPC;MDCG;27;0;"MARTINI bead: C3_Nda";;;;;;;2.57;;0.44;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM408819;MM408819;C=Cn1ncc(C#N)c1C;QEYXFNBUMVKCNR-UHFFFAOYSA-N;133.15;1.16;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP1_SNa";;;;;;;0.04;;-2.54;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM408820;MM408820;C=CC1=CCC(=N)NC1C;KYTTZHZNKLXTMD-UHFFFAOYSA-N;136.2;1.46;;;;;DOPC;MDCG;27;1;"MARTINI bead: SNd_SN0";;;;;;;1.17;;-4.99;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM408821;MM408821;CNC(=NN1CC1C)NN;DFRZGIIMNLDJGI-UHFFFAOYSA-N;143.19;-1.36;;;;;DOPC;MDCG;27;1;"MARTINI bead: P3_SP1";;;;;;;-1.93;;-7.78;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM408822;MM408822;C=CC#CCC(C=C)CC;AQIVCSMSVSFABY-UHFFFAOYSA-N;134.22;2.78;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1_C4";;;;;;;4.24;;0.42;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM408823;MM408823;C=CN(CC)C(=O)CCO;PLTBLXIOUCFNPL-UHFFFAOYSA-N;143.19;0.36;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda_P1";;;;;;;0.04;;-2.73;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM408824;MM408824;C=COc1ccc(C#N)[nH]1;AVDUJVCRNYQOCR-UHFFFAOYSA-N;134.14;1.41;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNa_SNd";;;;;;;0.87;;-1.88;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM408825;MM408825;CC1CN1N=C(NN)NN;LWECEZPYKWZZDN-UHFFFAOYSA-N;144.18;-2.11;;;;;DOPC;MDCG;27;1;"MARTINI bead: SP1_P4";;;;;;;-2.01;;-7.51;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM408826;MM408826;C=C1CC(C)CC=C1CC;PONTYXUZSWACMC-UHFFFAOYSA-N;136.24;3.31;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC1_SC3";;;;;;;4.61;;0.31;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM408827;MM408827;C=Cc1cnn(C=N)c1C;DHWMPOYHDQFXRQ-UHFFFAOYSA-N;135.17;1.29;;;;;DOPC;MDCG;27;0;"MARTINI bead: SN0_SP1";;;;;;;0.34;;-1.53;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM408828;MM408828;C=CC(CC)CC#CC=O;GPOWPQQVBPOOBN-UHFFFAOYSA-N;136.19;1.79;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1_P1";;;;;;;2.08;;0.48;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM408829;MM408829;CCN(C=N)C(=O)CCN;NPLMTAIYLHFXSB-UHFFFAOYSA-N;143.19;-0.21;;;;;DOPC;MDCG;27;1;"MARTINI bead: P2_P1";;;;;;;-1.06;;-5.54;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM408830;MM408830;CC1(COC=NN)CC1;GEOCOQBHCMFTRH-UHFFFAOYSA-N;128.18;0.71;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC5_P1";;;;;;;0.81;;-0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM408831;MM408831;COC(=NN1CC1C)NN;ARDYSAKAXFNUKK-UHFFFAOYSA-N;144.18;-0.93;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_SP1";;;;;;;-1.06;;-3.82;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM408832;MM408832;C=C1CC(C)CC=C1CN;JBKCFPMHEPCIOZ-UHFFFAOYSA-N;137.23;1.86;;;;;DOPC;MDCG;27;1;"MARTINI bead: SC3_SNd";;;;;;;2.57;;-0.92;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM408833;MM408833;Cc1c(C=O)cnn1C=N;QAGXKKSHJBFDCJ-UHFFFAOYSA-N;137.14;0.46;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP1_SP1";;;;;;;-0.79;;-3.13;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM408834;MM408834;C=CC(CC)CC#CC#N;COCFAHKYMLANPO-UHFFFAOYSA-N;133.19;2.12;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1_N0";;;;;;;3.21;;0.46;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM408835;MM408835;C=C1CC(C)C(O)C1;NVMLTHDRKYVNPG-UHFFFAOYSA-N;112.17;1.33;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC4_SNda";;;;;;;2.2;;0.49;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM408836;MM408836;C=CC(=CC1CC1C)CC;LUQHMAMGQLCIDW-UHFFFAOYSA-N;136.24;3.16;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1_SC5";;;;;;;3.68;;0.46;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM408837;MM408837;NN=COCC1(F)CC1;KEBMGUNZNVQFQY-UHFFFAOYSA-N;132.14;0.41;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_SNa";;;;;;;0.04;;-2.54;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM408838;MM408838;CON=CNC(=N)C=NN;RTQARNMUBVTEKD-UHFFFAOYSA-N;143.15;-0.91;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_P1";;;;;;;-1.06;;-3.82;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM408839;MM408839;Cc1c(C#N)cnn1C=N;YUFHRWUNXXDNOI-UHFFFAOYSA-N;134.14;0.52;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP1_SP1";;;;;;;-0.79;;-3.13;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM408840;MM408840;C=CC#CCC(C=O)CC;RPRUDJRDVKZYAZ-UHFFFAOYSA-N;136.19;1.79;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_C4";;;;;;;2.97;;0.45;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM408841;MM408841;C=C(CCF)N(C=N)NC;LLGUHHHJKKRLGC-UHFFFAOYSA-N;145.18;0.9;;;;;DOPC;MDCG;27;1;"MARTINI bead: P3_C5";;;;;;;-0.33;;-4.47;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM408842;MM408842;CCC(C=O)=CC1CC1C;LURMCVGUANSTGY-UHFFFAOYSA-N;138.21;2.18;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_SC5";;;;;;;1.64;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM408843;MM408843;C=CCc1c[nH]c(C=O)n1;RSWRXDUKKQGMCC-UHFFFAOYSA-N;136.15;0.95;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNda_SP1";;;;;;;0.04;;-2.73;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM408844;MM408844;C=C1CC(N)CC=C1CO;XADOCTMWPVFNEF-UHFFFAOYSA-N;139.2;0.58;;;;;DOPC;MDCG;27;1;"MARTINI bead: SNd_SC5";;;;;;;1.64;;-2.84;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM408845;MM408845;C=Cc1cnn(C=O)c1C;PYTDQMZOKWAERB-UHFFFAOYSA-N;136.15;0.87;;;;;DOPC;MDCG;27;0;"MARTINI bead: SN0_SP1";;;;;;;0.34;;-1.53;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM408846;MM408846;C=CC#CCC(C#N)CC;GKUFYQPZRVJCSV-UHFFFAOYSA-N;133.19;2.12;;;;;DOPC;MDCG;27;0;"MARTINI bead: N0_C4";;;;;;;2.5;;0.44;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM408847;MM408847;CCC(C#N)=CC1CC1C;PQGBDEMVWZQGBS-UHFFFAOYSA-N;135.21;2.5;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_SC5";;;;;;;2.41;;0.64;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM408848;MM408848;C=CCc1c[nH]c(C#N)n1;JFEVXIVILNSYQT-UHFFFAOYSA-N;133.15;1.01;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNda_SNd";;;;;;;0.87;;-1.92;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM408849;MM408849;C=CN(NC)C(=N)CCF;DSORKFHEYMMZEW-UHFFFAOYSA-N;145.18;0.9;;;;;DOPC;MDCG;27;1;"MARTINI bead: P3_C5";;;;;;;-0.33;;-4.77;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM408850;MM408850;C=C1CC=C(CC)C(=C)C1;IXMVLIMQHPFIHY-UHFFFAOYSA-N;134.22;3.23;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC1_SC4";;;;;;;4.24;;0.42;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM408851;MM408851;Cc1c(C=O)cnn1C=O;ITXKJUHPRATGNC-UHFFFAOYSA-N;138.13;0.04;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP1_SP1";;;;;;;-0.79;;-3.13;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM408852;MM408852;C=CC(=CC1CC1C)CN;GOPPAJVYYCGRPC-UHFFFAOYSA-N;137.23;1.71;;;;;DOPC;MDCG;27;1;"MARTINI bead: SC5_Nd";;;;;;;1.64;;-2.1;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM408853;MM408853;CCC(C=O)CC#CC#N;CGBACILBCRGPOG-UHFFFAOYSA-N;135.17;1.13;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_N0";;;;;;;1.94;;0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM408854;MM408854;N#CCc1c[nH]c(C=O)n1;QNVAQSVLMUNGLS-UHFFFAOYSA-N;135.13;0.29;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP1_SNda";;;;;;;0.04;;-2.73;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM408855;MM408855;CCCC(=N)N(C=N)NC;ZUHJEQLILYNDCA-UHFFFAOYSA-N;142.21;0.81;;;;;DOPC;MDCG;27;1;"MARTINI bead: C5_P3";;;;;;;-0.33;;-3.53;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM408856;MM408856;C=C1CC(=N)NC=C1CC;ILYJWVHTVLLAIF-UHFFFAOYSA-N;136.2;1.81;;;;;DOPC;MDCG;27;1;"MARTINI bead: SC5_SNd";;;;;;;1.64;;-3.74;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM408857;MM408857;Cc1c(C#N)cnn1C=O;MEPRFDYKRGSRPP-UHFFFAOYSA-N;135.13;0.1;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP1_SP1";;;;;;;-0.79;;-3.13;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM408858;MM408858;C=CC(=CC1CC1C)CO;YYVSQLSGAVQYCN-UHFFFAOYSA-N;138.21;1.75;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC5_Nda";;;;;;;1.64;;0.05;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM408859;MM408859;N#CCc1c[nH]c(C#N)n1;MZMCNFAXQXKMEU-UHFFFAOYSA-N;132.13;0.35;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP1_SNda";;;;;;;0.04;;-2.73;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM408860;MM408860;CCC(C#N)CC#CC=O;XJOSHGYOFDLBDK-UHFFFAOYSA-N;135.17;1.13;;;;;DOPC;MDCG;27;0;"MARTINI bead: N0_C5";;;;;;;1.94;;0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM408861;MM408861;CNN(C=N)C(=N)CCN;VBQBDDKUPVUTNX-UHFFFAOYSA-N;143.19;-0.64;;;;;DOPC;MDCG;27;1;"MARTINI bead: P4_P1";;;;;;;-2.01;;-6.49;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM408862;MM408862;C=Cc1cnn(C=C)c1N;XVKCLQKORFTAAK-UHFFFAOYSA-N;135.17;1.21;;;;;DOPC;MDCG;27;0;"MARTINI bead: SN0_SP1";;;;;;;0.34;;-1.53;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM408863;MM408863;C=C1CC(=N)NC=C1CN;QWLXEVDPAIITBO-UHFFFAOYSA-N;137.19;0.36;;;;;DOPC;MDCG;27;1;"MARTINI bead: SP1_SNd";;;;;;;0.04;;-6.34;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM408864;MM408864;CC1CC1C=C(C=O)CO;QCXDFNIZICYSFS-UHFFFAOYSA-N;140.18;0.76;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC5_P2";;;;;;;0.54;;-1.09;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM408865;MM408865;CC1(COC=NN)CO1;OPMCFILUICYRNF-UHFFFAOYSA-N;130.15;-0.31;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNa_P1";;;;;;;0.04;;-2.54;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM408866;MM408866;C=CC#CCC(C=C)CN;ZHYRCCRZXHSICJ-UHFFFAOYSA-N;135.21;1.33;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_C4";;;;;;;2.2;;-2.16;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM408867;MM408867;CCNN=C(C)C#N;PWFQBJWVDJKTOT-UHFFFAOYSA-N;111.15;0.5;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_P2";;;;;;;0.54;;-1.09;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM408868;MM408868;C=Cn1ncc(C=O)c1N;ILGOORPWMUSDJH-UHFFFAOYSA-N;137.14;0.38;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP1_SP1";;;;;;;-0.79;;-3.13;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM408869;MM408869;C=C1CC(=N)NC=C1CO;WJKICWQWWQCSFX-UHFFFAOYSA-N;138.17;0.39;;;;;DOPC;MDCG;27;1;"MARTINI bead: SP1_SNd";;;;;;;0.04;;-6.24;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM408870;MM408870;CC1CC1C=C(C#N)CO;ILCWPPNPMKOOAJ-UHFFFAOYSA-N;137.18;1.08;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC5_P1";;;;;;;0.81;;-0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM408871;MM408871;C#CCC(=NN)OCC;CWJQDVZRALMKKP-UHFFFAOYSA-N;126.16;0.32;;;;;DOPC;MDCG;27;0;"MARTINI bead: N0_Nda";;;;;;;1.17;;-1.13;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM408872;MM408872;CNc1cc(=O)n(N)nn1;KBGVDILMNGWHTG-UHFFFAOYSA-N;141.13;-1.61;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP1_SP2";;;;;;;-1.06;;-3.82;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM408873;MM408873;C=C1CC(=O)NC=C1CC;HOUNWLFXUZZXOO-UHFFFAOYSA-N;137.18;1.36;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC5_SP1";;;;;;;0.81;;-0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM408874;MM408874;C=Cn1ncc(C#N)c1N;LGXNPIYBRZWYST-UHFFFAOYSA-N;134.14;0.44;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP1_SP1";;;;;;;-0.79;;-3.13;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM408875;MM408875;C=CC(=CC1CC1C)CF;XCLXRZAXQYCKNP-UHFFFAOYSA-N;140.2;2.72;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC5_C4";;;;;;;2.97;;0.45;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM408876;MM408876;C=C1CCC(O)C1C;OZTFBOOZOYWBCP-UHFFFAOYSA-N;112.17;1.33;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNda_SC3";;;;;;;2.57;;0.44;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM408877;MM408877;C#CCC(=NN)OC=C;KOAHDOYOWLKLLN-UHFFFAOYSA-N;124.14;0.44;;;;;DOPC;MDCG;27;0;"MARTINI bead: N0_Nda";;;;;;;1.17;;-1.13;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM408878;MM408878;C=CC(CF)CC#CC=O;PHJKZPYXZPUMRD-UHFFFAOYSA-N;140.16;1.35;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4_P1";;;;;;;1.37;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM408879;MM408879;C=Cc1cnn(C=N)c1N;BLGPFIKVQCIHRL-UHFFFAOYSA-N;136.16;0.56;;;;;DOPC;MDCG;27;0;"MARTINI bead: SN0_SP2";;;;;;;0.06;;-2.21;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM408880;MM408880;C=C1CC(=O)NC=C1CN;VUVFSBVSTZECLS-UHFFFAOYSA-N;138.17;-0.09;;;;;DOPC;MDCG;27;1;"MARTINI bead: SP1_SP1";;;;;;;-0.79;;-4.89;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM408881;MM408881;CC1CC1C=C(C#N)CF;KXOFIXNRFDHBLU-UHFFFAOYSA-N;139.17;2.06;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC5_Na";;;;;;;1.64;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM408882;MM408882;CNN=COC1CC1;SEVCXAZVXVROOZ-UHFFFAOYSA-N;114.15;0.33;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_SC5";;;;;;;0.54;;-1.09;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM408883;MM408883;C=CC(CF)CC#CC#N;NNKWGJFEPNQZEC-UHFFFAOYSA-N;137.16;1.68;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_N0";;;;;;;1.94;;0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM408884;MM408884;C=C1CC(=O)NC=C1CO;OVVNTTCJUFUGHS-UHFFFAOYSA-N;139.15;-0.06;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP1_SP1";;;;;;;-0.79;;-3.13;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM408885;MM408885;C=COc1c[nH]c(C=O)n1;DJVISNLLAGRQOR-UHFFFAOYSA-N;138.13;0.74;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNda_SP1";;;;;;;0.04;;-2.73;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM408886;MM408886;N=Cn1ncc(C=O)c1N;QQUGUPVAOPVYHD-UHFFFAOYSA-N;138.13;-0.27;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP1_SP2";;;;;;;-1.06;;-3.82;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM408887;MM408887;C=CC(=CC1CC1N)CC;XRDCSPSUERWEKR-UHFFFAOYSA-N;137.23;1.86;;;;;DOPC;MDCG;27;1;"MARTINI bead: C1_SP1";;;;;;;2.08;;-0.98;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM408888;MM408888;C=CC(C)(O)CC(=C)C;BAKMXLFEBGKUCP-UHFFFAOYSA-N;126.2;1.89;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4_Nda";;;;;;;2.2;;0.49;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM408889;MM408889;C=CC#CCC(C=O)CF;QAVSKVHTONZREN-UHFFFAOYSA-N;140.16;1.35;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_C4";;;;;;;1.37;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM408890;MM408890;N#Cc1cnn(C=N)c1N;IMBYJPBUFJCXSJ-UHFFFAOYSA-N;135.13;-0.21;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP1_SP2";;;;;;;-1.06;;-3.82;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM408891;MM408891;C=C1CC(=C)C(CC)=CO1;RMQOHSQLZJSNSO-UHFFFAOYSA-N;136.19;2.77;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC4_SC5";;;;;;;2.97;;0.45;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM408892;MM408892;C=COc1c[nH]c(C#N)n1;MOZJVFPPLSPYKG-UHFFFAOYSA-N;135.13;0.8;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNda_SNd";;;;;;;0.87;;-1.92;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM408893;MM408893;C=CC(=CC1CC1N)CN;KDSBVVGZNORSIN-UHFFFAOYSA-N;138.21;0.4;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_SP1";;;;;;;0.04;;-5.37;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM408894;MM408894;CNCC(=O)N(C=N)NC;LELYELMURULMOT-UHFFFAOYSA-N;144.18;-1.22;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1_P5";;;;;;;-1.94;;-6.98;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM408895;MM408895;C=CC#CCC(C=C)NC;JQANXDXFCZADFB-UHFFFAOYSA-N;135.21;1.34;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_C4";;;;;;;2.2;;-1.34;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM408896;MM408896;C=Cc1cnn(C=O)c1N;AMITYGFWQMSNCO-UHFFFAOYSA-N;137.14;0.15;;;;;DOPC;MDCG;27;0;"MARTINI bead: SN0_SP2";;;;;;;0.06;;-2.21;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM408897;MM408897;C=C1CC(=O)NN=C1CC;AORKYKXLFMXONG-UHFFFAOYSA-N;138.17;0.83;;;;;DOPC;MDCG;27;0;"MARTINI bead: SN0_SNda";;;;;;;1.17;;-1.13;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM408898;MM408898;C=COC(C=CF)=NN;JJTMTNVXUNMULK-UHFFFAOYSA-N;130.12;0.9;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda_C5";;;;;;;1.64;;0.05;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM408899;MM408899;CN(C)C(N)=C(C#N)C=O;XZSUURGEMUKHLT-UHFFFAOYSA-N;139.16;-0.56;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nd_P2";;;;;;;-0.24;;-3.16;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM408900;MM408900;CNCC(=O)N(C=O)NC;PGLZKMYYGQSSDX-UHFFFAOYSA-N;145.16;-1.67;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1_P3";;;;;;;-1.93;;-5.79;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM408901;MM408901;NN=c1nnc(N)c(F)o1;XUIJYIAVVJSJMQ-UHFFFAOYSA-N;145.1;-1.43;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP3_SP2";;;;;;;-2.2;;-5.19;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM408902;MM408902;C#CC(C#N)(C=C)NN=C;CBZNJWAVJPLQSP-UHFFFAOYSA-N;133.15;0.27;;;;;DOPC;MDCG;27;0;"MARTINI bead: N0_P1";;;;;;;0.34;;-1.53;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM408903;MM408903;N#CC(=N)NC(C#N)CF;DMYUMWDOFQXDPW-UHFFFAOYSA-N;140.12;-0.06;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_P2";;;;;;;-0.24;;-3.24;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM408904;MM408904;C#CCC(C=O)=NOC;AJZXQKNKIREXSM-UHFFFAOYSA-N;125.13;0.21;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_N0";;;;;;;0.34;;-1.53;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM408905;MM408905;C=CCC(C)C(O)C(=C)C;ORHKHTRZKJUQIC-UHFFFAOYSA-N;140.23;2.14;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1_Nda";;;;;;;2.91;;0.57;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM408906;MM408906;CNN(C=O)C(=N)COC;HUPUEJPSDZEQSF-UHFFFAOYSA-N;145.16;-0.8;;;;;DOPC;MDCG;27;0;"MARTINI bead: P5_P1";;;;;;;-1.94;;-5.95;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM408907;MM408907;C=CC#CCC(C=C)OC;SZPIXCKSOLWZRT-UHFFFAOYSA-N;136.19;1.77;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_C4";;;;;;;2.2;;0.34;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM408908;MM408908;C=C1CC(=O)ON=C1CN;KBMJFISXIGQSOB-UHFFFAOYSA-N;140.14;-0.2;;;;;DOPC;MDCG;27;1;"MARTINI bead: SP1_SNa";;;;;;;0.04;;-3.89;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM408909;MM408909;C=CC(=CC1CC1O)CN;RZQYLTWXNGGQEK-UHFFFAOYSA-N;139.2;0.44;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_SP1";;;;;;;0.04;;-4.83;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM408910;MM408910;CC(C)(C)C(C)(C)CO;OCTRJUXIYWWVAR-UHFFFAOYSA-N;130.23;2.05;;;;;DOPC;MDCG;27;0;"MARTINI bead: C3_Nda";;;;;;;2.57;;0.44;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM408911;MM408911;N=C(C=O)NN(C=O)C=O;SYCIAHOUUKLVTQ-UHFFFAOYSA-N;143.1;-1.72;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_P3";;;;;;;-2.2;;-5.19;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM408912;MM408912;N#Cc1noc(O)c1F;WEFFATZDGUAVIP-UHFFFAOYSA-N;128.06;0.39;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNda_SNa";;;;;;;0.87;;-7.29;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM408913;MM408913;C=CC(CC#CC=O)OC;KJTKPDHTKJMVLD-UHFFFAOYSA-N;138.17;0.78;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_P1";;;;;;;0.81;;-0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM408914;MM408914;CC(N)=C(C(=O)O)C(F)F;RGHJJAAHLBUDBS-UHFFFAOYSA-N;151.11;0.57;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_N0";;;;;;;0.34;;-6.92;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM408915;MM408915;C=CCCCC(C)(C)O;YZHZVFQOTFXKJK-UHFFFAOYSA-N;128.22;2.11;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda_C1";;;;;;;2.91;;0.57;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM408916;MM408916;C=CCC(=C)C(O)C(C)C;HKOVNRHGXCTZIH-UHFFFAOYSA-N;140.23;2.14;;;;;DOPC;MDCG;27;0;"MARTINI bead: C3_C5";;;;;;;3.34;;0.48;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM408917;MM408917;C=CCc1nc(C#N)c[nH]1;GSEBWDJRKGLEJO-UHFFFAOYSA-N;133.15;1.01;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNd_SNda";;;;;;;0.87;;-1.92;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM408918;MM408918;N=c1nn[nH]nc1C=NO;LJCPUQPLMCIBAI-UHFFFAOYSA-N;140.11;-1.51;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP3_SP2";;;;;;;-2.2;;-9.63;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM408919;MM408919;C=CC(CC#CC#N)OC;RDDCORGXYZDXES-UHFFFAOYSA-N;135.17;1.1;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_N0";;;;;;;1.17;;-1.18;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM408920;MM408920;C=CC1=CCC(=O)CC1=C;WPHRDYWEVNPXSC-UHFFFAOYSA-N;134.18;2.02;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC1_SNa";;;;;;;2.91;;0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM408921;MM408921;N#CC(CCC(=O)O)=NO;VPBRRWHKCOKFHS-UHFFFAOYSA-N;142.11;0.2;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_P1";;;;;;;-0.79;;-8.35;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM408922;MM408922;C=CC(=CC1CC1F)CC;YMEGXDCOYKCZHI-UHFFFAOYSA-N;140.2;2.87;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1_SNa";;;;;;;2.91;;0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM408923;MM408923;CCCC(=N)N(C=O)OC;LABCSHHPLDRUSE-UHFFFAOYSA-N;144.17;0.78;;;;;DOPC;MDCG;27;0;"MARTINI bead: N0_P2";;;;;;;0.06;;-2.21;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM408924;MM408924;N=c1c(=O)nc(O)on1N;FJLWAJCURGGKNR-UHFFFAOYSA-N;144.09;-2.26;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP3_SP3";;;;;;;-3.07;;-10.28;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM408925;MM408925;C=CC#CCC(C=O)OC;APBNXMSPUKYLKQ-UHFFFAOYSA-N;138.17;0.78;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_C4";;;;;;;1.37;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM408926;MM408926;C=CC1=CNC(=N)CC1=C;ADNUPUTZJWLQNO-UHFFFAOYSA-N;134.18;1.58;;;;;DOPC;MDCG;27;1;"MARTINI bead: SN0_SNd";;;;;;;1.17;;-4.72;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM408927;MM408927;N#CCc1nc(C#N)c[nH]1;SSKIROLDFFMXEX-UHFFFAOYSA-N;132.13;0.35;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNd_SNda";;;;;;;0.87;;-1.92;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM408928;MM408928;CCC(C=O)=CC1CC1F;DULDWMHCJMKWFV-UHFFFAOYSA-N;142.17;1.88;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_SNa";;;;;;;0.87;;-2.22;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM408929;MM408929;C=CN(OC)C(=O)CCN;SRDBWYQJXCJYPQ-UHFFFAOYSA-N;144.17;-0.13;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1_P1";;;;;;;-0.79;;-4.85;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM408930;MM408930;CONC(=O)C#CC(=O)O;XLCRQCKFUGTMLK-UHFFFAOYSA-N;143.1;-1.25;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_P1";;;;;;;-1.06;;-9.02;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM408931;MM408931;C=CC1=COC(=C)CC1=C;GWPXWJYVPARLQJ-UHFFFAOYSA-N;134.18;2.55;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC4_SC5";;;;;;;2.97;;0.45;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM408932;MM408932;C=CC#CCC(C#N)OC;QSGFYXHKCDAMDM-UHFFFAOYSA-N;135.17;1.1;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_C4";;;;;;;1.37;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM408933;MM408933;C=CCc1n[nH]c(C=C)n1;XZHFLNZCLZELSK-UHFFFAOYSA-N;135.17;1.18;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNda_SNda";;;;;;;0.87;;-2.07;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM408934;MM408934;CCC(C#N)=CC1CC1F;ILUOQPJYNHEOBG-UHFFFAOYSA-N;139.17;2.2;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_SNa";;;;;;;1.64;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM408935;MM408935;CON(C=O)C(=O)CCO;RVOCBPWFNABRDK-UHFFFAOYSA-N;147.13;-1.08;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_P1";;;;;;;-1.06;;-3.82;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM408936;MM408936;Nn1nnnc1O;YBABYHZRRNCXLV-UHFFFAOYSA-N;101.07;-1.91;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP2_SP1";;;;;;;-1.06;;-9.02;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM408937;MM408937;COC(C=O)CC#CC=O;PINNZTBQURLWII-UHFFFAOYSA-N;140.14;-0.21;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_C5";;;;;;;0.81;;-0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM408938;MM408938;CCC1=CC=C(C)CC1C;JPPDLEBLHQEZFG-UHFFFAOYSA-N;136.24;3.31;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC1_SC4";;;;;;;4.24;;0.42;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM408939;MM408939;N#CC(=CC1CC1F)CO;BBLVUBRGHNQSFX-UHFFFAOYSA-N;141.15;0.79;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_SNa";;;;;;;0.04;;-2.54;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM408940;MM408940;C=NNCC#CC(=O)O;CUNGCVOPRCPNSA-UHFFFAOYSA-N;126.12;-0.72;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_P2";;;;;;;-1.06;;-8.78;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM408941;MM408941;C=C(COC)N(C=O)OC;XQUSYJFOGWINLQ-UHFFFAOYSA-N;145.16;0.17;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_P2";;;;;;;-0.24;;-3.24;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM408942;MM408942;C#CC#CC(=CN)C(=O)O;KPFZOFSWNVSLBO-UHFFFAOYSA-N;135.12;-0.45;;;;;DOPC;MDCG;27;0;"MARTINI bead: N0_P1";;;;;;;0.34;;-7.19;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM408943;MM408943;COC(C=O)CC#CC#N;UULQGAVIZDSXCN-UHFFFAOYSA-N;137.14;0.12;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_N0";;;;;;;1.17;;-1.18;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM408944;MM408944;C=CC1=CC=C(C)CC1C;DZTNTINRSPKXIG-UHFFFAOYSA-N;134.22;3.08;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC4_SC1";;;;;;;4.24;;0.42;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM408945;MM408945;N#CC(=CC1CC1F)CF;OVZBZIGXORLGDL-UHFFFAOYSA-N;143.14;1.76;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_SNa";;;;;;;0.87;;-2.22;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM408946;MM408946;C=CCc1nc(C#N)n[nH]1;HWUUZSUWKHHWTB-UHFFFAOYSA-N;134.14;0.4;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNda_SP1";;;;;;;0.04;;-2.73;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM408947;MM408947;COCC(=N)N(C=O)OC;LGEGMAXZCOXUEM-UHFFFAOYSA-N;146.15;-0.37;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_P2";;;;;;;-1.06;;-3.82;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM408948;MM408948;C=Cc1cnn(C=C)c1F;NPKIEDCUQYKYTE-UHFFFAOYSA-N;138.15;1.77;;;;;DOPC;MDCG;27;0;"MARTINI bead: SN0_SNa";;;;;;;1.17;;-1.18;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM408949;MM408949;C=C1CC(C)=CC=C1CC;FCDLAQXGAZWVTC-UHFFFAOYSA-N;134.22;3.23;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC1_SC4";;;;;;;4.24;;0.42;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM408950;MM408950;COC(C#N)CC#CC=O;PGTDLPLLFRCLQY-UHFFFAOYSA-N;137.14;0.12;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_C5";;;;;;;0.81;;-0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM408951;MM408951;C=CC(=CC1CC1C)OC;FGKDFYRSQWKYEC-UHFFFAOYSA-N;138.21;2.36;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4_SC5";;;;;;;2.97;;0.45;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM408952;MM408952;C#CC1(CO)NC1C(=O)O;SEJKEGXREJTMOD-UHFFFAOYSA-N;141.13;-1.59;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP3_P1";;;;;;;-1.93;;-9.04;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM408953;MM408953;COCC(=O)N(C=O)OC;DAJUYNPJGPGLHI-UHFFFAOYSA-N;147.13;-0.82;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_P2";;;;;;;-1.06;;-3.82;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM408954;MM408954;C=C1CC(F)=CC=C1CC;XBFFAEPWILPOML-UHFFFAOYSA-N;138.19;3.14;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC1_SC4";;;;;;;4.24;;0.42;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM408955;MM408955;COC(C=O)=CC1CC1C;TWUKEYUJAOSZDD-UHFFFAOYSA-N;140.18;1.37;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_SC5";;;;;;;1.64;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM408956;MM408956;C=CC#CCN(C=N)CC;MGWHBYLFHCXBCM-UHFFFAOYSA-N;136.2;1.1;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_N0";;;;;;;1.17;;-3.79;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM408957;MM408957;C=CCc1ccc(C=C)o1;HOJHUZCXDFWCBY-UHFFFAOYSA-N;134.18;2.65;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC5_SC5";;;;;;;2.41;;0.64;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM408958;MM408958;C=Cn1ncc(C#N)c1F;BNIKBHVCDXDOCW-UHFFFAOYSA-N;137.12;0.99;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP1_SNa";;;;;;;0.04;;-2.54;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM408959;MM408959;C=CN(CC)C(=N)NCC;AIUSDMFHURCCNF-UHFFFAOYSA-N;141.22;1;;;;;DOPC;MDCG;27;1;"MARTINI bead: C5_P1";;;;;;;0.81;;-5.69;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM408960;MM408960;CCC(CC)(CO)C(C)C;GYYUTWOIXUASHL-UHFFFAOYSA-N;144.26;2.44;;;;;DOPC;MDCG;27;0;"MARTINI bead: C3_C3";;;;;;;4.27;;0.2;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM408961;MM408961;CCN(C=N)CC#CC=O;XKRCGWRWJVPBQL-UHFFFAOYSA-N;138.17;0.12;;;;;DOPC;MDCG;27;1;"MARTINI bead: P2_C5";;;;;;;0.54;;-3.81;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM408962;MM408962;COC(C#N)=CC1CC1C;JYNHZSJSZVOUJC-UHFFFAOYSA-N;137.18;1.7;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_SC5";;;;;;;1.64;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM408963;MM408963;C=Cc1ccc(CC#N)o1;AEUNYWRYFFQIOV-UHFFFAOYSA-N;133.15;1.99;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC5_SN0";;;;;;;1.94;;0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM408964;MM408964;C=Cc1cnn(N=C)c1C;DYVMMPUPQXFKPU-UHFFFAOYSA-N;135.17;1.3;;;;;DOPC;MDCG;27;0;"MARTINI bead: SN0_SNa";;;;;;;1.17;;-1.18;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM408965;MM408965;CCNC(=O)N(C=O)CC;UEMBEQONJJXOSU-UHFFFAOYSA-N;144.17;0.19;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_P3";;;;;;;-0.33;;-2.01;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM408966;MM408966;Nc1cnc(CF)c(=O)[nH]1;GVRVIADVYUIYOP-UHFFFAOYSA-N;143.12;-0.18;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP1_SP2";;;;;;;-1.06;;-3.82;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM408967;MM408967;CCN(C=O)CC#CC#N;ZMPGSECODCSCKM-UHFFFAOYSA-N;136.15;-0.01;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_N0";;;;;;;0.34;;-1.53;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM408968;MM408968;C=CC(=CC1CC1N)OC;UDFFJVITYPCVHD-UHFFFAOYSA-N;139.2;1.05;;;;;DOPC;MDCG;27;1;"MARTINI bead: C4_SP1";;;;;;;1.37;;-2.54;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM408969;MM408969;C=CCc1ccc(C=O)o1;SEPXDFZBDYPZBD-UHFFFAOYSA-N;136.15;1.82;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC5_SNa";;;;;;;1.64;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM408970;MM408970;C=Nn1ncc(C=O)c1C;SYBJKGGIRUKPDT-UHFFFAOYSA-N;137.14;0.47;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP1_SNa";;;;;;;0.04;;-2.54;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM408971;MM408971;C=NN(CC)C(=N)NNC;IHBUEZRRJWFDME-UHFFFAOYSA-N;143.19;-0.42;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1_P3";;;;;;;-1.93;;-6.87;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM408972;MM408972;CNc1ccc(C)oc1=O;XHEGBYGQBBXOJG-UHFFFAOYSA-N;139.15;0.99;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_SNa";;;;;;;-0.24;;-3.24;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM408973;MM408973;C=CC#CCN(CC)N=C;BZVPRURKSCGWNG-UHFFFAOYSA-N;136.2;1.11;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_C4";;;;;;;1.37;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM408974;MM408974;C=Nn1ncc(C#N)c1C;SSZIKIJIPVITOU-UHFFFAOYSA-N;134.14;0.53;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP1_SNa";;;;;;;0.04;;-2.54;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM408975;MM408975;COC(C#N)=CC1CC1O;QBFAZKYJCCMONZ-UHFFFAOYSA-N;139.15;0.42;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_SP1";;;;;;;0.04;;-2.54;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM408976;MM408976;C=CCc1ccc(C#N)o1;IZZRMKLURHBYBW-UHFFFAOYSA-N;133.15;1.88;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC5_SN0";;;;;;;1.94;;0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM408977;MM408977;CCNC(=N)N(C=N)NC;AQYRNASZHROUGL-UHFFFAOYSA-N;143.19;-0.43;;;;;DOPC;MDCG;27;1;"MARTINI bead: P2_P4";;;;;;;-2.29;;-9.16;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM408978;MM408978;C=NN(CC)CC#CC=O;HNBQERNODRVJCZ-UHFFFAOYSA-N;138.17;0.13;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_P1";;;;;;;0.81;;-0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM408979;MM408979;C=CC1=CC=C(F)CC1=C;QZBFIDYBLTZXGN-UHFFFAOYSA-N;136.17;2.91;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC4_SC3";;;;;;;3.9;;0.47;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM408980;MM408980;C=Cc1cnn(N=C)c1N;JIZSPNGGWNOWRM-UHFFFAOYSA-N;136.16;0.57;;;;;DOPC;MDCG;27;0;"MARTINI bead: SN0_SP1";;;;;;;0.34;;-1.53;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM408981;MM408981;COC(C#N)=CC1CC1F;PDZPMUPQDBWPIF-UHFFFAOYSA-N;141.15;1.4;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_SNa";;;;;;;0.87;;-2.22;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM408982;MM408982;N#CCc1ccc(C=O)o1;FCAYEOLSHVAEDH-UHFFFAOYSA-N;135.12;1.16;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNa_SN0";;;;;;;1.17;;-1.18;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM408983;MM408983;C=CC(O)(CC)C(=C)C;KZQBLPPONQMHIK-UHFFFAOYSA-N;126.2;1.89;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_C5";;;;;;;2.41;;0.64;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM408984;MM408984;N#CC1(C#N)COC(=N)N1;FTBUWAUXLVIQIM-UHFFFAOYSA-N;136.11;-0.67;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP2_SP2";;;;;;;-1.34;;-4.31;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM408985;MM408985;CNN(C=O)CC#CC=O;HDTIGOQEFOBVDV-UHFFFAOYSA-N;140.14;-1.22;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_P4";;;;;;;-0.41;;-2.78;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM408986;MM408986;C=CC(N)C(=O)N(C)C=O;MJMLZVXOOMOSOW-UHFFFAOYSA-N;142.16;-0.89;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_P1";;;;;;;-1.06;;-3.82;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM408987;MM408987;CCC(C#N)=CC1NC1C;BTTWYNAYJLXJMT-UHFFFAOYSA-N;136.2;1.21;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_SP1";;;;;;;0.81;;-0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM408988;MM408988;N#CCc1ccc(C#N)o1;SOJNSAOMSJRWHV-UHFFFAOYSA-N;132.12;1.22;;;;;DOPC;MDCG;27;0;"MARTINI bead: SN0_SN0";;;;;;;1.47;;-0.05;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM408989;MM408989;CNNC(=N)N(C=N)NC;VPDUEMMVLNCFCH-UHFFFAOYSA-N;144.18;-1.31;;;;;DOPC;MDCG;27;1;"MARTINI bead: P4_P4";;;;;;;-3.24;;-10.41;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM408990;MM408990;CCC(F)C=NN=CNC;AGJCKGLURQYRFE-UHFFFAOYSA-N;145.18;0.97;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4_P1";;;;;;;1.37;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM408991;MM408991;O=c1[nH]nc(O)o1;OHXLAJQMPZYGMI-UHFFFAOYSA-N;102.05;-0.93;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP1_SP3";;;;;;;-1.93;;-9.07;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM408992;MM408992;C#CC#CCC(C=C)CC;PSUKSMJLQRAPEQ-UHFFFAOYSA-N;132.21;2.23;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1_C4";;;;;;;4.24;;0.42;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM408993;MM408993;C=CC(=CC1NC1C)CN;BNIMTFASZZYTHX-UHFFFAOYSA-N;138.21;0.42;;;;;DOPC;MDCG;27;1;"MARTINI bead: SP1_Nd";;;;;;;0.04;;-4.83;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM408994;MM408994;N#Cc1ccc(NC=N)o1;QXAGLASXZLOEBE-UHFFFAOYSA-N;135.13;1.17;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNd_SN0";;;;;;;1.17;;-1.04;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM408995;MM408995;C=CN(NC)C(=O)NOC;MYZDMEBEWSQUAK-UHFFFAOYSA-N;145.16;-0.16;;;;;DOPC;MDCG;27;0;"MARTINI bead: N0_P3";;;;;;;-0.8;;-2.99;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM408996;MM408996;C=C(C#N)CC(=O)C(=O)O;LERQTIREMIEYKA-UHFFFAOYSA-N;139.11;0.11;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_N0";;;;;;;0.06;;-7.36;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM408997;MM408997;CC1C(=O)CC(=O)C1=O;FUWXZDKUAHOVLL-UHFFFAOYSA-N;126.11;-0.27;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNa_SNa";;;;;;;0.87;;-7.73;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM408998;MM408998;C#CC#CCC(C=O)CC;XVPYPNXKVUYWKP-UHFFFAOYSA-N;134.18;1.24;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_C4";;;;;;;2.97;;0.45;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM408999;MM408999;C=NN=C1C=C(C)C(C)C1;CPDGSLILEXZVMU-UHFFFAOYSA-N;136.2;2.03;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC5_SC2";;;;;;;3.6;;0.34;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM409000;MM409000;C=COc1ccc(C#N)o1;JEAHJOLSJOAODV-UHFFFAOYSA-N;135.12;1.67;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC5_SN0";;;;;;;1.94;;0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM409001;MM409001;N#CC(=CC(=O)O)CO;WNVBZFRQIRGXNC-UHFFFAOYSA-N;127.1;-0.49;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_P1";;;;;;;-0.79;;-8.84;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM409002;MM409002;CNN(C=N)C(=O)NOC;KIQPBDHBIKQBEN-UHFFFAOYSA-N;146.15;-0.7;;;;;DOPC;MDCG;27;0;"MARTINI bead: P4_P2";;;;;;;-2.29;;-5.95;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM409003;MM409003;C=Cc1ccc(C)oc1=O;AWMULXFXRIFHFE-UHFFFAOYSA-N;136.15;1.59;;;;;DOPC;MDCG;27;0;"MARTINI bead: N0_SNa";;;;;;;1.17;;-1.18;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM409004;MM409004;C#CC#CCC(C#N)CC;GOIZWTRAINUSNO-UHFFFAOYSA-N;131.18;1.56;;;;;DOPC;MDCG;27;0;"MARTINI bead: N0_C4";;;;;;;2.5;;0.44;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM409005;MM409005;C#CC(=NN)OC(=C)CC;ZPHRZJMBDMDCGO-UHFFFAOYSA-N;138.17;0.83;;;;;DOPC;MDCG;27;0;"MARTINI bead: C3_P2";;;;;;;1.46;;-0.15;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM409006;MM409006;C=CCc1cnc(C=C)o1;HIQRCSPOAJVQTC-UHFFFAOYSA-N;135.17;2.05;;;;;DOPC;MDCG;27;0;"MARTINI bead: SN0_SNa";;;;;;;1.17;;-1.18;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM409007;MM409007;C=Cc1nnn(C=C)c1C;XCRQZHDMGFRXNZ-UHFFFAOYSA-N;135.17;1.33;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP1_SP1";;;;;;;-0.79;;-3.13;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM409008;MM409008;C#CC#CCC(C=C)CN;NUXWNGQLBDBEKL-UHFFFAOYSA-N;133.19;0.77;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_N0";;;;;;;1.17;;-3.78;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM409009;MM409009;CCNC(=N)N(C=N)OC;WXPCAMQKPXZDRV-UHFFFAOYSA-N;144.18;;;;;;DOPC;MDCG;27;1;"MARTINI bead: C5_P3";;;;;;;-0.33;;-4.29;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM409010;MM409010;C=C(C(=O)O)C(C#N)=NO;KYAYNIDLXKRHBI-UHFFFAOYSA-N;140.1;-0.02;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda_P1";;;;;;;0.04;;-8.07;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM409011;MM409011;COC(C#N)=CC1NC1C;JVIYAHPNHLBNKC-UHFFFAOYSA-N;138.17;0.4;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_SP1";;;;;;;0.04;;-2.54;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM409012;MM409012;C=Cc1ncc(CC#N)o1;OIYWENAGXIHHGG-UHFFFAOYSA-N;134.14;1.38;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNa_SP1";;;;;;;0.04;;-2.54;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM409013;MM409013;C=Cn1nnc(C=O)c1C;FOQXPUBVONXGNE-UHFFFAOYSA-N;137.14;0.5;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP1_SP1";;;;;;;-0.79;;-3.13;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM409014;MM409014;C=NN=C1C=CC(NN)=N1;LCDJAMWAZFQYQG-UHFFFAOYSA-N;137.15;-0.57;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP1_SN0";;;;;;;0.34;;-1.53;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM409015;MM409015;CCNC(=O)N(C=O)OC;GVWXTRSJVZBARZ-UHFFFAOYSA-N;146.15;-0.26;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_P3";;;;;;;-0.33;;-2.01;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM409016;MM409016;C=CCc1cnc(C=O)o1;LUEIOBUVHASYTF-UHFFFAOYSA-N;137.14;1.22;;;;;DOPC;MDCG;27;0;"MARTINI bead: SN0_SP1";;;;;;;0.34;;-1.53;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM409017;MM409017;CC1=CC(C)N(C=N)CC1;LFKFLWPQTHMUOK-UHFFFAOYSA-N;138.21;1.63;;;;;DOPC;MDCG;27;1;"MARTINI bead: SN0_SNd";;;;;;;1.17;;-4.51;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM409018;MM409018;C=CC(=CC1OC1C)CC;JNHTWTOSRDCEGE-UHFFFAOYSA-N;138.21;2.3;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1_SNa";;;;;;;2.91;;0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM409019;MM409019;C=Cn1nnc(C#N)c1C;UOYCSPUQWKIVAB-UHFFFAOYSA-N;134.14;0.56;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP1_SP1";;;;;;;-0.79;;-3.13;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM409020;MM409020;C#CC#CCC(C=C)CF;DHJIXVOQHZYEAG-UHFFFAOYSA-N;136.17;1.78;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_C4";;;;;;;2.97;;0.45;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM409021;MM409021;CCC(C=O)=CC1OC1C;OJBFZSUGURAXEU-UHFFFAOYSA-N;140.18;1.31;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_SNa";;;;;;;0.87;;-2.22;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM409022;MM409022;CC1=CC(C)N(C=O)CC1;ANDOXOGBQWJDIC-UHFFFAOYSA-N;139.2;1.18;;;;;DOPC;MDCG;27;0;"MARTINI bead: SN0_SNda";;;;;;;1.17;;-1.13;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM409023;MM409023;C=C(C)OC=NNCC;HGMGRDHZAJIOGH-UHFFFAOYSA-N;128.18;1.09;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nd_Na";;;;;;;0.87;;-1.88;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM409024;MM409024;C=CCc1cnc(C#N)o1;YRZOUTLNFNBMJA-UHFFFAOYSA-N;134.14;1.27;;;;;DOPC;MDCG;27;0;"MARTINI bead: SN0_SNa";;;;;;;1.17;;-1.18;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM409025;MM409025;C=Cc1nnn(C=N)c1C;SMAWTIRINDKBEN-UHFFFAOYSA-N;136.16;0.68;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP1_SP2";;;;;;;-1.06;;-3.82;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM409026;MM409026;CCC(C#N)=CC1OC1C;YQVJCQCPZYYCJZ-UHFFFAOYSA-N;137.18;1.63;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_SNa";;;;;;;1.64;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM409027;MM409027;C#CC#CCC(C=O)CF;OOYKTRIISXMWBS-UHFFFAOYSA-N;138.14;0.8;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_C4";;;;;;;1.37;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM409028;MM409028;C=NN1CCC(C)=CC1C;ACZNPFSMDRSZOW-UHFFFAOYSA-N;138.21;1.64;;;;;DOPC;MDCG;27;0;"MARTINI bead: SN0_SN0";;;;;;;1.47;;-0.05;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM409029;MM409029;N#CCc1cnc(C=O)o1;GXEHAFKQTKRPBV-UHFFFAOYSA-N;136.11;0.55;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP1_SP1";;;;;;;-0.79;;-3.13;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM409030;MM409030;C=CN(CC)C(=N)OCC;RUBOQCHCJRIIPI-UHFFFAOYSA-N;142.2;1.42;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nda_Nd";;;;;;;0.87;;-3.27;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM409031;MM409031;Cc1c(C=O)nnn1C=N;CMGBUHIKWQCXRF-UHFFFAOYSA-N;138.13;-0.15;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP1_SP2";;;;;;;-1.06;;-3.82;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM409032;MM409032;C=CC(=CC1OC1C)CN;WQYBGRAQPZGTCJ-UHFFFAOYSA-N;139.2;0.84;;;;;DOPC;MDCG;27;1;"MARTINI bead: SNa_Nd";;;;;;;0.87;;-4.08;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM409033;MM409033;CNN1CCC(C)=CC1=N;DBZXSCWRTYFOHG-UHFFFAOYSA-N;139.2;0.75;;;;;DOPC;MDCG;27;1;"MARTINI bead: SP1_SN0";;;;;;;0.34;;-4.23;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM409034;MM409034;C#CC#CCC(C#N)CF;HIFZPOPKQZLRAU-UHFFFAOYSA-N;135.14;1.12;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_N0";;;;;;;1.17;;-1.18;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM409035;MM409035;C=CN(CC)C(=O)OCC;XRSZCEHOVOVJIZ-UHFFFAOYSA-N;143.19;1.61;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_Nd";;;;;;;0.87;;-1.88;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM409036;MM409036;N#CCc1cnc(C#N)o1;BBHITHREDNHSEF-UHFFFAOYSA-N;133.11;0.61;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP1_SNa";;;;;;;0.04;;-2.54;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM409037;MM409037;Cc1c(C#N)nnn1C=N;LOXDEYDXBFZBIK-UHFFFAOYSA-N;135.13;-0.09;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP1_SP2";;;;;;;-1.06;;-3.82;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM409038;MM409038;C=CC(=CC1OC1C)CO;UUSGTOHOKJTTPH-UHFFFAOYSA-N;140.18;0.88;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNa_Nda";;;;;;;0.87;;-1.99;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM409039;MM409039;C=C1C=C(C)CCN1C=N;PNCQUSBIQZUDEY-UHFFFAOYSA-N;136.2;1.76;;;;;DOPC;MDCG;27;1;"MARTINI bead: SN0_SNd";;;;;;;1.17;;-4.13;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM409040;MM409040;C#CC#CCC(C=C)NC;ONPUPVLPXKJOGL-UHFFFAOYSA-N;133.19;0.79;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_C4";;;;;;;2.2;;-1.25;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM409041;MM409041;N#Cc1ncc(NC=N)o1;FYEWEXOVVDWQNL-UHFFFAOYSA-N;136.11;0.57;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP2_SNa";;;;;;;-0.24;;-3.24;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM409042;MM409042;C=Cc1nnn(C=O)c1C;YVDFDYZCPGGTBG-UHFFFAOYSA-N;137.14;0.27;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP1_SP1";;;;;;;-0.79;;-3.13;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM409043;MM409043;CCOC(=O)N(C=O)NC;WMEMOULGSNCVSN-UHFFFAOYSA-N;146.15;-0.26;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_P4";;;;;;;-1.19;;-4.76;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM409044;MM409044;CC1OC1C=C(C=O)CO;NECYCAQFAQVGTN-UHFFFAOYSA-N;142.15;-0.11;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNa_P2";;;;;;;-0.24;;-3.24;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM409045;MM409045;C=C1C=C(C)CCN1C=O;YYNNVTIUCOOCGR-UHFFFAOYSA-N;137.18;1.31;;;;;DOPC;MDCG;27;0;"MARTINI bead: SN0_SNda";;;;;;;1.17;;-1.13;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM409046;MM409046;CCNc1c[nH]c(NC)c1;OPZYHYGOIIGVAI-UHFFFAOYSA-N;139.2;1.49;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC5_SNd";;;;;;;1.64;;0.02;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM409047;MM409047;C=COc1cnc(C#N)o1;ZZHMHCGKDFPIEJ-UHFFFAOYSA-N;136.11;1.07;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNa_SNa";;;;;;;0.87;;-2.22;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM409048;MM409048;C=C(OCC)N(C=O)OC;SEWFTAVSLXEITF-UHFFFAOYSA-N;145.16;0.51;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_P2";;;;;;;0.54;;-1.09;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM409049;MM409049;Cc1c(C=O)nnn1C=O;PXFGBQSBVYZTAA-UHFFFAOYSA-N;139.11;-0.56;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP1_SP1";;;;;;;-0.79;;-3.13;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM409050;MM409050;CC1OC1C=C(C#N)CO;WVHFBVMURXZXBM-UHFFFAOYSA-N;139.15;0.22;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNa_P1";;;;;;;0.04;;-2.54;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM409051;MM409051;C=C1C=C(F)CCN1C=N;OGLSHBLRBMZZRM-UHFFFAOYSA-N;140.16;1.67;;;;;DOPC;MDCG;27;1;"MARTINI bead: SNa_SNd";;;;;;;0.87;;-4.5;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM409052;MM409052;C#CC#CCC(C=C)OC;HNBGAQGZVNCDPP-UHFFFAOYSA-N;134.18;1.21;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_C4";;;;;;;2.2;;0.34;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM409053;MM409053;C=CCc1ncc(C=C)o1;ADHLFZZFVONBFP-UHFFFAOYSA-N;135.17;2.05;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNa_SN0";;;;;;;1.17;;-1.18;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM409054;MM409054;Cc1c(C#N)nnn1C=O;IZSLKAHVDAKKOK-UHFFFAOYSA-N;136.11;-0.5;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP1_SP1";;;;;;;-0.79;;-3.13;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM409055;MM409055;CCOC(=N)N(C=N)OC;YCIPBVJNSPGYNB-UHFFFAOYSA-N;145.16;0.43;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda_P3";;;;;;;-1.1;;-3.97;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM409056;MM409056;C=CC(=CC1OC1C)CF;QGVFGXFCQIQTRW-UHFFFAOYSA-N;142.17;1.86;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNa_C4";;;;;;;2.2;;0.34;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM409057;MM409057;C=CN1CCC(N)=CC1=N;ONWIAZARNRTCQB-UHFFFAOYSA-N;137.19;0.66;;;;;DOPC;MDCG;27;1;"MARTINI bead: SP1_SNd";;;;;;;0.04;;-6.31;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM409058;MM409058;C#CC#CCC(C#N)OC;LKQGHLKLSUGPEO-UHFFFAOYSA-N;133.15;0.55;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_C4";;;;;;;1.37;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM409059;MM409059;C=Cc1cnc(CC#N)o1;WBCOOENSESBAFT-UHFFFAOYSA-N;134.14;1.38;;;;;DOPC;MDCG;27;0;"MARTINI bead: SN0_SNa";;;;;;;1.17;;-1.18;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM409060;MM409060;CC1OC1C=C(C=O)CF;XEZLSXAWFPWCJP-UHFFFAOYSA-N;144.15;0.87;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNa_Na";;;;;;;0.87;;-2.22;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM409061;MM409061;C=Cc1nnn(C=C)c1N;INIIKJUMPGRVCF-UHFFFAOYSA-N;136.16;0.6;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP1_SP2";;;;;;;-1.06;;-3.82;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM409062;MM409062;CCOC(=N)N(C=O)OC;CGBPSNAVNQIUPG-UHFFFAOYSA-N;146.15;-0.02;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda_P2";;;;;;;-0.24;;-3.31;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM409063;MM409063;N=CN1CCC(N)=CC1=N;AFDABOIWXVWBOL-UHFFFAOYSA-N;138.17;0.12;;;;;DOPC;MDCG;27;1;"MARTINI bead: SP1_SP1";;;;;;;-0.79;;-4.8;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM409064;MM409064;C=CCc1ncc(C=O)o1;HLFDWWJDQSCSSP-UHFFFAOYSA-N;137.14;1.22;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNa_SP1";;;;;;;0.04;;-2.54;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM409065;MM409065;C#CC#CCN(C=N)CC;IBMNJZIQUUYWNF-UHFFFAOYSA-N;134.18;0.55;;;;;DOPC;MDCG;27;1;"MARTINI bead: P2_C4";;;;;;;1.09;;-3.05;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM409066;MM409066;CC1OC1C=C(C#N)CF;AUPWJGDYIVWPLR-UHFFFAOYSA-N;141.15;1.19;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNa_Na";;;;;;;0.87;;-2.22;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM409067;MM409067;C=CCC(=C)C(C=O)CC;RGEVDNIHAPBPPN-UHFFFAOYSA-N;138.21;2.34;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_C2";;;;;;;3.6;;0.34;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM409068;MM409068;C=Cn1nnc(C=O)c1N;LWDMZCRVMSYZGP-UHFFFAOYSA-N;138.13;-0.23;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP1_SP2";;;;;;;-1.06;;-3.82;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM409069;MM409069;N=C1C=C(F)CCN1C=O;UJLNDJCINLLNLR-UHFFFAOYSA-N;142.13;0.68;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNa_SP1";;;;;;;0.04;;-2.54;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM409070;MM409070;C=CCc1ncc(C#N)o1;YVGXHIUMFMTIMU-UHFFFAOYSA-N;134.14;1.27;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNa_SP1";;;;;;;0.04;;-2.54;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM409071;MM409071;C#CC#CCN(CC)N=C;LFUARJVENXCYFI-UHFFFAOYSA-N;134.18;0.56;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_C4";;;;;;;1.37;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM409072;MM409072;C=CC(=CC1OC1C)OC;YOVYCNVDOYXVDE-UHFFFAOYSA-N;140.18;1.49;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4_SNa";;;;;;;2.2;;0.34;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM409073;MM409073;C=Cn1nnc(C#N)c1N;MRBSSXYPDHCDII-UHFFFAOYSA-N;135.13;-0.17;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP1_SP2";;;;;;;-1.06;;-3.82;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM409074;MM409074;C=CCC(=C)C(C=C)CN;GIAJEPDVYKOARL-UHFFFAOYSA-N;137.23;1.88;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_C2";;;;;;;2.83;;-0.68;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM409075;MM409075;C=NN1CCC(C)=CC1=N;HFJFQWSSVYOBNB-UHFFFAOYSA-N;137.19;1.23;;;;;DOPC;MDCG;27;0;"MARTINI bead: SN0_SNd";;;;;;;1.17;;-1.04;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM409076;MM409076;N#CCc1ncc(C=O)o1;HICXHJVYOXQTAC-UHFFFAOYSA-N;136.11;0.55;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP1_SNa";;;;;;;0.04;;-2.54;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM409077;MM409077;C=CCC(=C)C(C=C)CF;CTRROSCVFMTZCD-UHFFFAOYSA-N;140.2;2.89;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_C2";;;;;;;3.6;;0.34;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM409078;MM409078;C#CC(CC)CC#CCC;VYXTXNOSWMGBCI-UHFFFAOYSA-N;134.22;2.45;;;;;DOPC;MDCG;27;0;"MARTINI bead: C3_C3";;;;;;;4.27;;0.2;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM409079;MM409079;COC(C=O)=CC1OC1C;RVRJTJGDELFVKJ-UHFFFAOYSA-N;142.15;0.5;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_SNa";;;;;;;0.87;;-2.22;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM409080;MM409080;C=Cc1nnn(C=N)c1N;WTIUSXWEYOWCQM-UHFFFAOYSA-N;137.15;-0.04;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP1_SP2";;;;;;;-1.06;;-3.82;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM409081;MM409081;CC=C1CCC(C)=CC1C;ZNVXNXXSRUHKAI-UHFFFAOYSA-N;136.24;3.31;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC1_SC2";;;;;;;4.87;;0.53;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM409082;MM409082;N#CCc1ncc(C#N)o1;ZYRLPOFERGLKSW-UHFFFAOYSA-N;133.11;0.61;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNa_SP1";;;;;;;0.04;;-2.54;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM409083;MM409083;C#CC(CC)CC#CCN;AZGXFBJTYBRFFM-UHFFFAOYSA-N;135.21;1;;;;;DOPC;MDCG;27;1;"MARTINI bead: C3_Nd";;;;;;;2.57;;-0.27;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM409084;MM409084;C=CC(CF)C(=C)CC=O;UMOXJEHAWZWVLG-UHFFFAOYSA-N;142.17;1.9;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_C5";;;;;;;1.64;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM409085;MM409085;COC(C#N)=CC1OC1C;MFYMJQVDCKPMBP-UHFFFAOYSA-N;139.15;0.83;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_SNa";;;;;;;0.87;;-2.22;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM409086;MM409086;C=NNC=NC=C(F)C#N;UNVKUKUAKWESMB-UHFFFAOYSA-N;140.12;0.55;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_P2";;;;;;;0.54;;-1.09;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM409087;MM409087;NN=c1o[nH]c(N)cc1=O;FTRNWIKFSOVGJZ-UHFFFAOYSA-N;142.12;-1.68;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP2_SP2";;;;;;;-1.34;;-4.31;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM409088;MM409088;C=CCc1nnc(C=C)o1;OTAZQFZEXCAKFZ-UHFFFAOYSA-N;136.15;1.44;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNa_SP1";;;;;;;0.04;;-2.54;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM409089;MM409089;C=CC(=CC1CN1C)CC;OCXARWHLCQTOJK-UHFFFAOYSA-N;137.23;1.82;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1_SP1";;;;;;;2.08;;0.49;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM409090;MM409090;C=CCC(=O)C(C=O)CO;LBVZALFEFZMSIF-UHFFFAOYSA-N;142.15;-0.06;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_Na";;;;;;;-0.24;;-3.24;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM409091;MM409091;C#CC(CC)CC#CCO;MDSFPHZFAKTKNA-UHFFFAOYSA-N;136.19;1.03;;;;;DOPC;MDCG;27;0;"MARTINI bead: C2_P2";;;;;;;1.72;;0.27;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM409092;MM409092;CN=NC(CF)=C(C)NN;NANQCKBOZAXBQN-UHFFFAOYSA-N;146.17;0.73;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1_P3";;;;;;;0.94;;0.03;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM409093;MM409093;Nc1cc(=O)c(=NO)o[nH]1;HYHIWIWPWGHQCR-UHFFFAOYSA-N;143.1;-1.16;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP2_SP2";;;;;;;-1.34;;-4.31;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM409094;MM409094;C=Cc1nnc(CC#N)o1;WNBZCJZBUWZARR-UHFFFAOYSA-N;135.13;0.78;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP1_SP1";;;;;;;-0.79;;-3.13;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM409095;MM409095;N#CCC(=O)C(C=O)CO;UVSNEKKZPMBWPE-UHFFFAOYSA-N;141.13;-0.72;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_Na";;;;;;;-0.24;;-3.24;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM409096;MM409096;C#CC(CC)CC#CCF;MACUADZNSFJZDC-UHFFFAOYSA-N;138.19;2.01;;;;;DOPC;MDCG;27;0;"MARTINI bead: C2_Na";;;;;;;2.83;;0.35;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM409097;MM409097;CCC(C#N)=CC1CN1C;LJJXADCPBNQHMH-UHFFFAOYSA-N;136.2;1.16;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_SP1";;;;;;;0.81;;-0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM409098;MM409098;C=NNC(C#CCF)CF;MFUCQKQOMXWHEN-UHFFFAOYSA-N;146.14;0.5;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda_Na";;;;;;;0.87;;-1.99;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM409099;MM409099;CC(O)(C#N)C(O)C(=O)O;FKGDUKDFBWCKQU-UHFFFAOYSA-N;145.11;-1.29;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_P2";;;;;;;-1.34;;-9.44;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM409100;MM409100;C=CCc1nnc(C=O)o1;NHRISSJJPRJKQB-UHFFFAOYSA-N;138.13;0.61;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNa_SP2";;;;;;;-0.24;;-3.24;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM409101;MM409101;C=CCC(=O)C(C=C)CF;BSFCFHGMJOHCJS-UHFFFAOYSA-N;142.17;1.9;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_Na";;;;;;;1.64;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM409102;MM409102;N#Cc1nnn(C=O)c1N;FOFNWHSYWOMSDY-UHFFFAOYSA-N;137.1;-1.23;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP1_SP2";;;;;;;-1.06;;-3.82;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM409103;MM409103;C=CC(=CC1CN1C)CN;CDMAEWTYIUCSFM-UHFFFAOYSA-N;138.21;0.37;;;;;DOPC;MDCG;27;1;"MARTINI bead: SP1_Nd";;;;;;;0.04;;-4.83;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM409104;MM409104;C#CC(CN)CC#CCC;ZVDJFOCZTXRIHM-UHFFFAOYSA-N;135.21;1;;;;;DOPC;MDCG;27;1;"MARTINI bead: C3_Nd";;;;;;;2.57;;-1.17;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM409105;MM409105;N=c1nc(N)[nH]oc1=NN;UHEPVMVRNYGUFR-UHFFFAOYSA-N;142.12;-2.16;;;;;DOPC;MDCG;27;1;"MARTINI bead: SP3_SP3";;;;;;;-3.07;;-7.3;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM409106;MM409106;C=CCc1nnc(C#N)o1;RIVGXYRBEJVQRT-UHFFFAOYSA-N;135.13;0.67;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNa_SP1";;;;;;;0.04;;-2.54;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM409107;MM409107;C=CCC(=C)C(C=C)NC;ORHCPYAPCKZMHV-UHFFFAOYSA-N;137.23;1.89;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_C4";;;;;;;2.2;;-1.31;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM409108;MM409108;C#CC(=NN)OC(=O)CF;HMUIPMUHXUSTSS-UHFFFAOYSA-N;144.11;-0.6;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_Na";;;;;;;0.04;;-2.54;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM409109;MM409109;N#CC(=O)N(O)CC(=O)O;WFUIJEDLTVOGCU-UHFFFAOYSA-N;144.09;-1.19;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_P1";;;;;;;-0.79;;-8.85;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM409110;MM409110;C#CC(CN)CC#CCO;FRGSWYVBNVUGLE-UHFFFAOYSA-N;137.18;-0.42;;;;;DOPC;MDCG;27;1;"MARTINI bead: N0_P1";;;;;;;0.34;;-3.97;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM409111;MM409111;C=CC1(C#N)OC1C(=O)O;HFOHMKVBXPLRDH-UHFFFAOYSA-N;139.11;-0.08;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_SNa";;;;;;;0.04;;-8;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM409112;MM409112;N#CCc1nnc(C=O)o1;XFGORUZYUUDSFL-UHFFFAOYSA-N;137.1;-0.05;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP2_SP1";;;;;;;-1.06;;-3.82;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM409113;MM409113;CNN=C(C)OC=CF;RJDBGKHPDNYHLK-UHFFFAOYSA-N;132.14;1;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_C5";;;;;;;0.54;;-1.09;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM409114;MM409114;C#CC(CN)CC#CCF;WTTLMACURXEJEU-UHFFFAOYSA-N;139.17;0.56;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_Na";;;;;;;0.87;;-4.33;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM409115;MM409115;CC(=O)C(C=O)C(=O)CO;ZPIHZUZOIWXWSX-UHFFFAOYSA-N;144.13;-1.05;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_P2";;;;;;;-0.24;;-8.57;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM409116;MM409116;C#CC(=NN)OC(=C)C=C;PESUTJGSKUVBTK-UHFFFAOYSA-N;136.15;0.61;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_C4";;;;;;;1.09;;-0.38;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM409117;MM409117;N#CCc1nnc(C#N)o1;CROVCMQAJTWSOJ-UHFFFAOYSA-N;134.1;0.01;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP1_SP1";;;;;;;-0.79;;-3.13;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM409118;MM409118;N#CC(=NO)NCC(=O)O;TZMBWCUMJJTWFV-UHFFFAOYSA-N;143.1;-1.03;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_P1";;;;;;;-1.06;;-8.91;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM409119;MM409119;CCNc1cc(NC)c[nH]1;JZHZPJCVOMMVPK-UHFFFAOYSA-N;139.2;1.49;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC5_SNd";;;;;;;1.64;;0.02;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM409120;MM409120;C=CC(=CC1CN1C)OC;CIEFUOBPMYQTPF-UHFFFAOYSA-N;139.2;1.02;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4_SP1";;;;;;;1.37;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM409121;MM409121;C=NNC(C)=C(C)C=O;ZMEKVGPGOLRSQU-UHFFFAOYSA-N;126.16;0.68;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nd_Na";;;;;;;0.87;;-1.88;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM409122;MM409122;ON=c1nn[nH]o1;OHQRETHLOHPGOX-UHFFFAOYSA-N;102.05;-1.31;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP2_SP2";;;;;;;-1.34;;-9.57;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM409123;MM409123;C#CCC1=CC=C(C=C)C1;DIRZTOAQPWLGJW-UHFFFAOYSA-N;130.19;2.45;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC4_SC4";;;;;;;3.53;;0.53;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM409124;MM409124;NN=c1o[nH]c(N)nc1=O;ZXRSFMJYJDWHII-UHFFFAOYSA-N;143.11;-2.28;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP3_SP3";;;;;;;-3.07;;-6.15;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM409125;MM409125;C#CC(CO)CC#CCF;PFASKDRDVSXGOM-UHFFFAOYSA-N;140.16;0.59;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda_Na";;;;;;;0.87;;-1.99;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM409126;MM409126;COC(C#N)=CC1CN1C;STUJPVRBIHPDBX-UHFFFAOYSA-N;138.17;0.35;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_SP1";;;;;;;0.04;;-2.54;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM409127;MM409127;C=CCC(C)C1(O)CC1;CGJXCNCHDLJLHM-UHFFFAOYSA-N;126.2;1.72;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4_SNda";;;;;;;2.2;;0.49;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM409128;MM409128;Nn1oc(O)nc1=NO;XDVKOTZQTVYSRQ-UHFFFAOYSA-N;132.08;-1.81;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP1_SP3";;;;;;;-1.93;;-9.09;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM409129;MM409129;C#CCC1=CC=C(C=O)C1;ZNWYULIIOBFWIL-UHFFFAOYSA-N;132.16;1.47;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNa_SC4";;;;;;;2.2;;0.34;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM409130;MM409130;Nc1nc(=O)c(=NO)o[nH]1;XRFAJXRYEMTPLY-UHFFFAOYSA-N;144.09;-1.77;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP3_SP3";;;;;;;-3.07;;-6.15;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM409131;MM409131;C#CC(CF)CC#CCC;UXASULAHGNWDPE-UHFFFAOYSA-N;138.19;2.01;;;;;DOPC;MDCG;27;0;"MARTINI bead: C3_Na";;;;;;;2.57;;0.45;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM409132;MM409132;CCC(C=O)=CN1CC1C;QZRYKYSWKVKAAL-UHFFFAOYSA-N;139.2;1.18;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_SP1";;;;;;;0.04;;-2.54;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM409133;MM409133;C=C(CC#N)C(C#N)OC;KPQDVJBBTVNBKC-UHFFFAOYSA-N;136.15;0.99;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_N0";;;;;;;0.34;;-1.53;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM409134;MM409134;C=Cc1nnn(N=C)c1C;XZQUZALGPRYLEX-UHFFFAOYSA-N;136.16;0.69;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP1_SP1";;;;;;;-0.79;;-3.13;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM409135;MM409135;C#CCC1=CC=C(C#N)C1;CNVJMRICEVTOBM-UHFFFAOYSA-N;129.16;1.79;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC4_SN0";;;;;;;2.5;;0.44;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM409136;MM409136;O=C(O)C(=O)C#CCO;PFHYGNWSRJTPEO-UHFFFAOYSA-N;128.08;-1.36;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_P1";;;;;;;-0.79;;-8.57;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM409137;MM409137;C#CC(CF)CC#CCN;KELKYKJGVMYDDD-UHFFFAOYSA-N;139.17;0.56;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_Na";;;;;;;0.87;;-3.38;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM409138;MM409138;CCC(C#N)=CN1CC1C;WRGFJYOFQBOBHP-UHFFFAOYSA-N;136.2;1.51;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_SP1";;;;;;;0.81;;-0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM409139;MM409139;C=CC(CC)C(=C)NC=O;MIYUWMKZPXLMGB-UHFFFAOYSA-N;139.2;1.46;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1_P2";;;;;;;1.8;;0.4;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM409140;MM409140;C=Nn1nnc(C=O)c1C;MBUOHZMSQKUYDG-UHFFFAOYSA-N;138.13;-0.14;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP1_SP1";;;;;;;-0.79;;-3.13;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM409141;MM409141;C#CCC1=NN=C(C=C)C1;ADHXJEMBGSMICQ-UHFFFAOYSA-N;132.17;1.4;;;;;DOPC;MDCG;27;0;"MARTINI bead: SN0_SN0";;;;;;;1.47;;-0.05;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM409142;MM409142;C#CC(CF)CC#CCO;PNFZQVKAUMDWBW-UHFFFAOYSA-N;140.16;0.59;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_C5";;;;;;;0.54;;-1.09;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM409143;MM409143;Oc1nnoc1F;UQDIWCMNODBNAG-UHFFFAOYSA-N;104.04;-0.09;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP1_SP1";;;;;;;-0.79;;-8.57;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM409144;MM409144;CC1CN1C=C(C=O)CO;XGHFJGZKORNDDA-UHFFFAOYSA-N;141.17;-0.23;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP1_P2";;;;;;;-1.06;;-3.82;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM409145;MM409145;C=CC(CN)C(=C)NC=N;QGHZETPCRYEQRB-UHFFFAOYSA-N;139.2;0.46;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_P2";;;;;;;-0.24;;-6.95;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM409146;MM409146;C=Nn1nnc(C#N)c1C;ZSYXSOBZEWRTJD-UHFFFAOYSA-N;135.13;-0.08;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP1_SP1";;;;;;;-0.79;;-3.13;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM409147;MM409147;C#CCC1=NN=C(C=O)C1;KWLYOLFHPALXAW-UHFFFAOYSA-N;134.14;0.41;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNa_SN0";;;;;;;1.17;;-1.18;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM409148;MM409148;C#CC(CF)CC#CCF;FVPURZDYINAGOV-UHFFFAOYSA-N;142.15;1.57;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_C5";;;;;;;1.64;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM409149;MM409149;CCn1ncc(F)cc1=N;QVXLDHZEKBLNEX-UHFFFAOYSA-N;141.15;0.52;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP1_SP1";;;;;;;-0.79;;-3.13;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM409150;MM409150;C#CC(=NN)OC(=O)C=C;VVASVZBIURSACX-UHFFFAOYSA-N;138.13;-0.38;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_N0";;;;;;;0.34;;-1.53;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM409151;MM409151;C=CC(CN)C(=C)NC=O;NYSDFWXXENFVIG-UHFFFAOYSA-N;140.19;0.01;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_P2";;;;;;;-0.24;;-5.45;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM409152;MM409152;C=Cc1nnn(N=C)c1N;LQORPUVMCUSSQO-UHFFFAOYSA-N;137.15;-0.03;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP1_SP2";;;;;;;-1.06;;-3.82;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM409153;MM409153;C#CCC1=NN=C(C#N)C1;HYVSFPXACRVSCV-UHFFFAOYSA-N;131.14;0.73;;;;;DOPC;MDCG;27;0;"MARTINI bead: SN0_SN0";;;;;;;1.47;;-0.05;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM409154;MM409154;C#CC(CC#CCC)NC;WXGMOARMGDGMOG-UHFFFAOYSA-N;135.21;1.01;;;;;DOPC;MDCG;27;1;"MARTINI bead: C3_P2";;;;;;;1.46;;-1.47;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM409155;MM409155;CCn1ncc(C)cc1=O;LHUAKKDKGAVZAE-UHFFFAOYSA-N;138.17;0.57;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP1_SP1";;;;;;;-0.79;;-3.13;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM409156;MM409156;COC(C#N)=CN1CC1C;BWMDPVKFFOIXMZ-UHFFFAOYSA-N;138.17;0.7;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_SP1";;;;;;;0.04;;-2.54;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM409157;MM409157;C=CC(CO)C(=C)NC=O;QGGMDPPOUPVJED-UHFFFAOYSA-N;141.17;0.04;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda_P2";;;;;;;-0.24;;-3.31;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM409158;MM409158;N#CC(C=CN)=NNC=N;DHNRSIJKGRDMOF-UHFFFAOYSA-N;137.15;-0.46;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_P1";;;;;;;-0.79;;-3.13;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM409159;MM409159;C#CCc1ccc(C=C)[nH]1;UIBHXCHHMOZNQZ-UHFFFAOYSA-N;131.18;1.83;;;;;DOPC;MDCG;27;0;"MARTINI bead: SN0_SNd";;;;;;;1.17;;-1.04;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM409160;MM409160;CCN(N)C(=O)C(C)OC;KALGIYDNZXCORF-UHFFFAOYSA-N;146.19;-0.26;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_Na";;;;;;;-0.24;;-3.24;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM409161;MM409161;C=C(NC=N)C(C#N)CO;QABPUBGBMCOUES-UHFFFAOYSA-N;139.16;-0.17;;;;;DOPC;MDCG;27;1;"MARTINI bead: P2_P2";;;;;;;-1.34;;-7.91;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM409162;MM409162;C#CC(CC#CCF)NC;KFCFZZJZTDEBNG-UHFFFAOYSA-N;139.17;0.57;;;;;DOPC;MDCG;27;1;"MARTINI bead: P2_C5";;;;;;;0.54;;-2.46;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM409163;MM409163;C=CC(CC)=NN1CC1C;CBJAYUFAWMYUFS-UHFFFAOYSA-N;138.21;1.64;;;;;DOPC;MDCG;27;0;"MARTINI bead: N0_SP1";;;;;;;0.34;;-1.53;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM409164;MM409164;CC=CNC(=NC)C(C)=O;NLHDFSGNYWXNGO-UHFFFAOYSA-N;140.19;0.73;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nd_Na";;;;;;;0.87;;-1.88;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM409165;MM409165;CCn1ncc(F)cc1=O;ITNZDVSFRQTGAA-UHFFFAOYSA-N;142.13;0.4;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP1_SP1";;;;;;;-0.79;;-3.13;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM409166;MM409166;C#CCc1ccc(C#N)[nH]1;LWAPBYKNUQXRDL-UHFFFAOYSA-N;130.15;1.06;;;;;DOPC;MDCG;27;0;"MARTINI bead: SN0_SNd";;;;;;;1.17;;-1.04;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM409167;MM409167;C=CC(CF)C(=C)NC=N;CAOHMUXJIHZRPP-UHFFFAOYSA-N;142.18;1.47;;;;;DOPC;MDCG;27;1;"MARTINI bead: C5_P2";;;;;;;0.54;;-4.85;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM409168;MM409168;C#CC(CC#CCC)OC;UMQIYXYDSLNDLR-UHFFFAOYSA-N;136.19;1.44;;;;;DOPC;MDCG;27;0;"MARTINI bead: C3_Na";;;;;;;2.57;;0.45;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM409169;MM409169;CCC(C=O)=NN1CC1C;QXRANKZPQRMVLN-UHFFFAOYSA-N;140.19;0.66;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_SP1";;;;;;;-0.79;;-3.13;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM409170;MM409170;C=Nn1[nH]nc(F)c1=O;XLXNFQVZPPJTSL-UHFFFAOYSA-N;130.08;-0.83;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP1_SP2";;;;;;;-1.06;;-9.03;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM409171;MM409171;CNn1ncc(F)cc1=N;WVEUVTVTCZFGEL-UHFFFAOYSA-N;142.14;-0.33;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP2_SP1";;;;;;;-1.06;;-3.82;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM409172;MM409172;CC1CC(=NN)OC1=O;GJNIMKPSKUVCTJ-UHFFFAOYSA-N;128.13;-0.16;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNd_SNa";;;;;;;0.87;;-1.88;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM409173;MM409173;C#CC(CC#CCN)OC;LMIKHNJKJSDUAM-UHFFFAOYSA-N;137.18;-0.01;;;;;DOPC;MDCG;27;1;"MARTINI bead: Na_Nd";;;;;;;0.87;;-3.38;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM409174;MM409174;C=CC(CF)C(=C)NC=O;KBYMFGHQRRALBG-UHFFFAOYSA-N;143.16;1.02;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_P2";;;;;;;0.54;;-1.09;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM409175;MM409175;CCC(C#N)=NN1CC1C;DGYGEEIOTFWOKB-UHFFFAOYSA-N;137.19;0.98;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_SP1";;;;;;;-0.79;;-3.13;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM409176;MM409176;O=c1c(F)c(O)[nH]n1O;VOKZOOXDIBLOEY-UHFFFAOYSA-N;134.07;-0.74;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP2_SNda";;;;;;;-0.24;;-8.44;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM409177;MM409177;C#CCc1c[nH]c(C=O)n1;ORPAUUZWQGCGOL-UHFFFAOYSA-N;134.14;0.4;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP1_SNda";;;;;;;0.04;;-2.73;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM409178;MM409178;CNn1ncc(C)cc1=O;HTWRJSFCKZSWHH-UHFFFAOYSA-N;139.16;-0.27;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP2_SP1";;;;;;;-1.06;;-3.82;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM409179;MM409179;C#CC(CC#CCO)OC;OYJBBZUNSIQFDO-UHFFFAOYSA-N;138.17;0.02;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_P1";;;;;;;0.81;;-0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM409180;MM409180;C=CNC(=N)C(C=C)CC;SJCAQKCEVXKVEP-UHFFFAOYSA-N;138.21;1.91;;;;;DOPC;MDCG;27;1;"MARTINI bead: C1_P2";;;;;;;1.8;;-3.23;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM409181;MM409181;C#CC(=NN)OC(C)=CC;ZNCLYPNFXUCZLM-UHFFFAOYSA-N;138.17;0.83;;;;;DOPC;MDCG;27;0;"MARTINI bead: C2_P2";;;;;;;1.72;;0.27;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM409182;MM409182;C#CC1=C(C)C(C=C)C=C1;FJUYIRHCVYDPCM-UHFFFAOYSA-N;130.19;2.31;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC5_SC4";;;;;;;2.97;;0.45;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM409183;MM409183;C#CC(CC#CCF)OC;MMHSOUBDFVTWOE-UHFFFAOYSA-N;140.16;1;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_Na";;;;;;;0.87;;-2.22;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM409184;MM409184;C=NOCC(CC)C(C)=O;VZBNMRLJQPMQOJ-UHFFFAOYSA-N;143.19;1.23;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_P1";;;;;;;0.81;;-0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM409185;MM409185;C#CCc1c[nH]c(C#N)n1;UOAZXBZENHMHHI-UHFFFAOYSA-N;131.14;0.46;;;;;DOPC;MDCG;27;0;"MARTINI bead: SN0_SNda";;;;;;;1.17;;-1.13;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM409186;MM409186;C=CNC(=N)C(C#N)CC;JZGTXMDMUMSCAA-UHFFFAOYSA-N;137.19;1.25;;;;;DOPC;MDCG;27;1;"MARTINI bead: C5_P1";;;;;;;0.81;;-2.65;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM409187;MM409187;COC(C=O)=NN1CC1C;YMXPUYQDCHEKIZ-UHFFFAOYSA-N;142.16;-0.15;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_SP1";;;;;;;-1.06;;-3.82;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM409188;MM409188;C#CC1=C(C)C(C=O)C=C1;POAACHCYAFXLBU-UHFFFAOYSA-N;132.16;1.32;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC5_SNa";;;;;;;1.64;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM409189;MM409189;C#CC(CC)CC#CC=C;SHQFUAXDNBKULD-UHFFFAOYSA-N;132.21;2.23;;;;;DOPC;MDCG;27;0;"MARTINI bead: C3_C4";;;;;;;3.9;;0.47;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM409190;MM409190;CNn1ncc(O)cc1=O;XDDQBCOSWAVZPX-UHFFFAOYSA-N;141.13;-0.88;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP2_SP2";;;;;;;-1.34;;-4.31;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM409191;MM409191;C=C1CC(=NN)OC1=C;KRBLYJAQTKAYDF-UHFFFAOYSA-N;124.14;0.75;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNd_SC5";;;;;;;1.64;;0.02;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM409192;MM409192;CCC(C#N)C(=N)NC=O;QQZPOBCENMKZDZ-UHFFFAOYSA-N;139.16;0.26;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_P3";;;;;;;-0.33;;-2.01;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM409193;MM409193;C#Cc1ccn(C=C)c1C;UKMZYXDPNLMECW-UHFFFAOYSA-N;131.18;1.88;;;;;DOPC;MDCG;27;0;"MARTINI bead: SN0_SC5";;;;;;;1.94;;0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM409194;MM409194;COC(C#N)=NN1CC1C;KYRMMGUOJBGTFY-UHFFFAOYSA-N;139.16;0.17;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_SP1";;;;;;;-0.79;;-3.13;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM409195;MM409195;CNn1ncc(F)cc1=O;GTTLUNWHCJJZTK-UHFFFAOYSA-N;143.12;-0.44;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP2_SP1";;;;;;;-1.06;;-3.82;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM409196;MM409196;C#CC(CC)CC#CC=O;WOLQXUULOBPVRG-UHFFFAOYSA-N;134.18;1.24;;;;;DOPC;MDCG;27;0;"MARTINI bead: C2_P1";;;;;;;2;;0.29;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM409197;MM409197;NNc1noc(F)c1O;URUGEXCMIJNIDG-UHFFFAOYSA-N;133.08;-0.2;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNda_SNda";;;;;;;0.87;;-7.35;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM409198;MM409198;C=CC(CN)C(=N)NC=N;BRMBBOHLMKJMPT-UHFFFAOYSA-N;140.19;-0.08;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_P4";;;;;;;-1.19;;-7.02;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM409199;MM409199;C#Cc1ccn(C=N)c1C;YDKWNZQPZBIPBN-UHFFFAOYSA-N;132.17;1.23;;;;;DOPC;MDCG;27;1;"MARTINI bead: SN0_SNd";;;;;;;1.17;;-4.19;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM409200;MM409200;C#CC(=CC1CC1C)CC;UAJBRPFETISWSB-UHFFFAOYSA-N;134.22;2.61;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4_SC5";;;;;;;2.97;;0.45;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM409201;MM409201;COn1ncc(F)cc1=N;QHTLDFQRYYLWCR-UHFFFAOYSA-N;143.12;-0.44;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP1_SP1";;;;;;;-0.79;;-3.13;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM409202;MM409202;C#CC(CC)CC#CC#N;NXBQOEAKUJSCCV-UHFFFAOYSA-N;131.18;1.56;;;;;DOPC;MDCG;27;0;"MARTINI bead: C3_N0";;;;;;;2.87;;0.37;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM409203;MM409203;C#CCc1nc(C#N)c[nH]1;TUJPPFHXUUHLIC-UHFFFAOYSA-N;131.14;0.46;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNd_SNda";;;;;;;0.87;;-1.92;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM409204;MM409204;C=CC(CN)C(=N)NC=O;NKUKMJIQSZYESK-UHFFFAOYSA-N;141.17;-0.53;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_P4";;;;;;;-1.19;;-7.04;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM409205;MM409205;C#Cc1ccn(C=O)c1C;BHWUGXPPBRIUSI-UHFFFAOYSA-N;133.15;0.82;;;;;DOPC;MDCG;27;0;"MARTINI bead: SN0_SNa";;;;;;;1.17;;-1.18;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM409206;MM409206;C#CC(=CC1CC1C)CN;SPZRIHPKMDJNRH-UHFFFAOYSA-N;135.21;1.16;;;;;DOPC;MDCG;27;1;"MARTINI bead: SC5_Nd";;;;;;;1.64;;-1.69;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM409207;MM409207;C#CC(CN)CC#CC=C;NPQBDDGOEZVXBF-UHFFFAOYSA-N;133.19;0.77;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_N0";;;;;;;1.17;;-3.48;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM409208;MM409208;C#CCc1nc(C=C)n[nH]1;IHFYHFKHQJUATD-UHFFFAOYSA-N;133.15;0.62;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNda_SNda";;;;;;;0.87;;-2.07;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM409209;MM409209;COn1ncc(C)cc1=O;DUPVLZCGQCJXSG-UHFFFAOYSA-N;140.14;-0.39;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP2_SP1";;;;;;;-1.06;;-3.82;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM409210;MM409210;CNc1nn(C)c(=O)o1;FRNOKIZNQURZLL-UHFFFAOYSA-N;129.12;-0.59;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP1_SP3";;;;;;;-1.93;;-4.72;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM409211;MM409211;C#Cc1ccn(C=C)c1N;QCHPCPDMVMXYTQ-UHFFFAOYSA-N;132.17;1.15;;;;;DOPC;MDCG;27;0;"MARTINI bead: SN0_SNd";;;;;;;1.17;;-1.04;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM409212;MM409212;C#CC(=CC1CC1C)CO;ZFHXBWSAWUVVRW-UHFFFAOYSA-N;136.19;1.19;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC5_Nda";;;;;;;1.64;;0.05;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM409213;MM409213;C#CC1NC1C(=O)O;NQYBVTVWCKCGPU-UHFFFAOYSA-N;111.1;-0.96;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_SP3";;;;;;;-1.93;;-9.04;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM409214;MM409214;C#CC(CF)CC#CC=C;MBTUURGCGHLCMI-UHFFFAOYSA-N;136.17;1.78;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_C4";;;;;;;2.2;;0.34;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM409215;MM409215;COn1ncc(N)cc1=O;VNWGNCDNNSFRSV-UHFFFAOYSA-N;141.13;-1.12;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP2_SP1";;;;;;;-1.06;;-3.82;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM409216;MM409216;C=CNC(=N)C(C#N)CO;JBGZCXYNNXCBIT-UHFFFAOYSA-N;139.16;-0.17;;;;;DOPC;MDCG;27;1;"MARTINI bead: P2_P2";;;;;;;-1.34;;-5.89;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM409217;MM409217;C#Cc1ccn(C=N)c1N;VJIOZDRPIKZONC-UHFFFAOYSA-N;133.15;0.51;;;;;DOPC;MDCG;27;1;"MARTINI bead: SN0_SP1";;;;;;;0.34;;-4.72;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM409218;MM409218;C#CC(=CC1CC1C)CF;BLNFUWBVUUTJSS-UHFFFAOYSA-N;138.19;2.17;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC5_C5";;;;;;;2.41;;0.64;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM409219;MM409219;C#CCc1nc(C#N)n[nH]1;SAVRFJRTAYBLJT-UHFFFAOYSA-N;132.13;-0.15;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNda_SP1";;;;;;;0.04;;-2.73;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM409220;MM409220;COn1ncc(F)cc1=O;DKSKJMTWQLNUJC-UHFFFAOYSA-N;144.11;-0.56;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP2_SP1";;;;;;;-1.06;;-3.82;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM409221;MM409221;C#CC(CF)CC#CC=O;PKBNVVVOBXNIDK-UHFFFAOYSA-N;138.14;0.8;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_P1";;;;;;;0.81;;-0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM409222;MM409222;N#CC(CO)C(=N)NC=N;ORJXHPLATWNWEL-UHFFFAOYSA-N;140.15;-0.71;;;;;DOPC;MDCG;27;1;"MARTINI bead: P3_P2";;;;;;;-2.2;;-6.69;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM409223;MM409223;C#CC(=CC1CC1N)CC;WTBRTNURDKVXRK-UHFFFAOYSA-N;135.21;1.3;;;;;DOPC;MDCG;27;1;"MARTINI bead: C4_SP1";;;;;;;1.37;;-2.54;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM409224;MM409224;C#Cc1ccn(C=O)c1N;ZCCOJJQASCSFHF-UHFFFAOYSA-N;134.14;0.09;;;;;DOPC;MDCG;27;0;"MARTINI bead: SN0_SNda";;;;;;;1.17;;-1.13;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM409225;MM409225;C#CCc1ccc(C=C)o1;PULRFZGENOQWOT-UHFFFAOYSA-N;132.16;2.1;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC5_SC5";;;;;;;2.41;;0.64;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM409226;MM409226;C#CC(CF)CC#CC#N;DUUWYEDSOYTYSC-UHFFFAOYSA-N;135.14;1.12;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_N0";;;;;;;1.17;;-1.18;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM409227;MM409227;Cc1cnn(C=N)c(=N)c1;QKEMRQQCCQVZPC-UHFFFAOYSA-N;136.16;0.13;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP1_SP2";;;;;;;-1.06;;-3.82;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM409228;MM409228;N#CC(CO)C(=N)NC=O;QHFHGQPOSQBAAL-UHFFFAOYSA-N;141.13;-1.16;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_P4";;;;;;;-2.29;;-5.95;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM409229;MM409229;C#Cc1ccn(C=C)c1O;JNRJPVJIJJNGRG-UHFFFAOYSA-N;133.15;1.28;;;;;DOPC;MDCG;27;0;"MARTINI bead: SN0_SNda";;;;;;;1.17;;-1.13;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM409230;MM409230;C#CC(=CC1CC1N)CN;IRLNHGXZZWOMQU-UHFFFAOYSA-N;136.2;-0.15;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_SP1";;;;;;;0.04;;-5.29;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM409231;MM409231;C#CCc1ccc(C=O)o1;CGPYTDTVXPCNDL-UHFFFAOYSA-N;134.13;1.27;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNa_SC5";;;;;;;1.64;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM409232;MM409232;C#CC(CC#CC=C)NC;AOODEKRNPMZSOS-UHFFFAOYSA-N;133.19;0.79;;;;;DOPC;MDCG;27;1;"MARTINI bead: P2_C4";;;;;;;1.09;;-1.7;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM409233;MM409233;Cc1cnn(C=O)c(=N)c1;CMFMEGTYCDWKNB-UHFFFAOYSA-N;137.14;-0.29;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP1_SP2";;;;;;;-1.06;;-3.82;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM409234;MM409234;C=CNC(=N)C(C=C)CF;RXKOLAOOAUGGNE-UHFFFAOYSA-N;142.18;1.47;;;;;DOPC;MDCG;27;1;"MARTINI bead: C5_P2";;;;;;;0.54;;-4.84;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM409235;MM409235;C#CC(=NN)OC(C)=CF;UUWLCVOGMLGCLF-UHFFFAOYSA-N;142.13;0.74;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4_P2";;;;;;;1.09;;-0.38;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM409236;MM409236;C#Cc1ccn(C=C)c1F;XHSDQSGICWMHIB-UHFFFAOYSA-N;135.14;1.71;;;;;DOPC;MDCG;27;0;"MARTINI bead: SN0_SC5";;;;;;;1.94;;0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM409237;MM409237;C#CC(CC#CC=O)NC;ASEBBYBFQSOREY-UHFFFAOYSA-N;135.17;-0.2;;;;;DOPC;MDCG;27;1;"MARTINI bead: P2_C5";;;;;;;0.54;;-2.16;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM409238;MM409238;C#CCc1ccc(C#N)o1;RXTCUGTYOZHJJM-UHFFFAOYSA-N;131.13;1.33;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC5_SN0";;;;;;;1.94;;0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM409239;MM409239;CN=c1cc(N)nnn1N;DONFRNUVFJCLPP-UHFFFAOYSA-N;140.15;-1.9;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP2_SP2";;;;;;;-1.34;;-4.31;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM409240;MM409240;N#CC(CF)C(=N)NC=N;HBOQZUPCZAOIDZ-UHFFFAOYSA-N;142.14;0.27;;;;;DOPC;MDCG;27;1;"MARTINI bead: Na_P4";;;;;;;-1.19;;-6.22;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM409241;MM409241;C#CC(=CC1CC1O)CO;ICEQGBWZKFILCP-UHFFFAOYSA-N;138.17;-0.08;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda_SP1";;;;;;;0.04;;-2.73;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM409242;MM409242;C#CCc1cnc(C=C)o1;KZDYLEQQDFEMMF-UHFFFAOYSA-N;133.15;1.49;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNa_SN0";;;;;;;1.17;;-1.18;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM409243;MM409243;C#CC(CC#CC#N)NC;NWTQATOVEXXFNY-UHFFFAOYSA-N;132.17;0.12;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1_N0";;;;;;;0.34;;-2.67;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM409244;MM409244;C#Cc1ccn(C=O)c1F;NOMRXYURNDYGAL-UHFFFAOYSA-N;137.11;0.65;;;;;DOPC;MDCG;27;0;"MARTINI bead: SN0_SNa";;;;;;;1.17;;-1.18;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM409245;MM409245;C#CC1=CC(=NN)C(C)C1;ZBOYCGVBRWSFIS-UHFFFAOYSA-N;134.18;0.9;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC5_SC5";;;;;;;2.41;;0.64;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM409246;MM409246;N#CC(CF)C(=N)NC=O;NAMHKQLJCVNQOF-UHFFFAOYSA-N;143.12;-0.18;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_P4";;;;;;;-1.19;;-4.76;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM409247;MM409247;C#CC(=CC1CC1O)CF;XXUDBHHDJXQUIG-UHFFFAOYSA-N;140.16;0.9;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP1_C5";;;;;;;0.81;;-0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM409248;MM409248;C#CCc1cnc(C=O)o1;XUXUXPPQIURATR-UHFFFAOYSA-N;135.12;0.66;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP1_SN0";;;;;;;0.34;;-1.53;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM409249;MM409249;C#CC(CC#CC=C)OC;XOBYFIDUUZUNJN-UHFFFAOYSA-N;134.18;1.21;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_C4";;;;;;;2.2;;0.34;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM409250;MM409250;C#Cc1ccn(N=C)c1C;MGAQRIZSKQVFIJ-UHFFFAOYSA-N;132.17;1.24;;;;;DOPC;MDCG;27;1;"MARTINI bead: SN0_SN0";;;;;;;1.47;;-1.48;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM409251;MM409251;C=Cn1ncc(F)cc1=N;JODPFBIXWKTGBY-UHFFFAOYSA-N;139.13;0.6;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP1_SP1";;;;;;;-0.79;;-3.13;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM409252;MM409252;C=CNC(=O)C(C#N)CC;KXQQHYVMMHURLG-UHFFFAOYSA-N;138.17;0.8;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_P1";;;;;;;0.81;;-0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM409253;MM409253;C#CC(=CC1CC1F)CC;BDYHUCJFXJIMKL-UHFFFAOYSA-N;138.19;2.31;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4_SNa";;;;;;;2.2;;0.34;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM409254;MM409254;C#CCc1cnc(C#N)o1;NZDBQINIQAFVRO-UHFFFAOYSA-N;132.12;0.72;;;;;DOPC;MDCG;27;0;"MARTINI bead: SN0_SNa";;;;;;;1.17;;-1.18;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM409255;MM409255;C#CC(CC#CC#N)OC;GWATUNZLXZWEGC-UHFFFAOYSA-N;133.15;0.55;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_N0";;;;;;;1.17;;-1.18;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM409256;MM409256;C#Cc1ccn(N=C)c1N;BJEPDKWKUFAJHF-UHFFFAOYSA-N;133.15;0.52;;;;;DOPC;MDCG;27;1;"MARTINI bead: SN0_SNd";;;;;;;1.17;;-2.27;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM409257;MM409257;N=Cn1ncc(F)cc1=N;TXHOVCYKNORUCV-UHFFFAOYSA-N;140.12;-0.04;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP1_SP2";;;;;;;-1.06;;-3.82;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM409258;MM409258;CCC(C#N)C(=O)NC=N;VSPBEKYGZQGKSJ-UHFFFAOYSA-N;139.16;0.26;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_P3";;;;;;;-0.33;;-2.01;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM409259;MM409259;C#CC(=CC1CC1F)CN;VAZYGKCWJSQDKX-UHFFFAOYSA-N;139.17;0.86;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_SNa";;;;;;;0.87;;-3.67;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM409260;MM409260;C#CCc1ncc(C=C)o1;CPYNAEBHTMBYRO-UHFFFAOYSA-N;133.15;1.49;;;;;DOPC;MDCG;27;0;"MARTINI bead: SN0_SNa";;;;;;;1.17;;-1.18;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM409261;MM409261;C#CC#CCC(C#C)CC;MFLWSAXMIIQYSK-UHFFFAOYSA-N;130.19;1.67;;;;;DOPC;MDCG;27;0;"MARTINI bead: C3_C4";;;;;;;3.9;;0.47;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM409262;MM409262;C#Cc1ncn(C=C)c1C;NZVHNYXIDBKDCO-UHFFFAOYSA-N;132.17;1.27;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNa_SP1";;;;;;;0.04;;-2.54;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM409263;MM409263;N=c1cc(F)cnn1C=O;DTCHDJMOKMEPJI-UHFFFAOYSA-N;141.11;-0.46;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP1_SP2";;;;;;;-1.06;;-3.82;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM409264;MM409264;CCC(C=O)C(=O)NC=O;YABMUYZDNKLWHG-UHFFFAOYSA-N;143.14;-0.52;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_P4";;;;;;;-0.41;;-2.78;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM409265;MM409265;C#CCc1ncc(C=O)o1;OQIUNRDMTLISSK-UHFFFAOYSA-N;135.12;0.66;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP1_SNa";;;;;;;0.04;;-2.54;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM409266;MM409266;C#CC(=CC1CC1F)CO;IPOHOEMXVGGVFZ-UHFFFAOYSA-N;140.16;0.9;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda_SNa";;;;;;;0.87;;-1.99;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM409267;MM409267;C#CC#CCC(C#C)CN;YIZYTKXOZZKXSK-UHFFFAOYSA-N;131.18;0.22;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_N0";;;;;;;1.17;;-3.48;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM409268;MM409268;C#Cc1ncn(C=O)c1C;FZHQHCLBTDSNOG-UHFFFAOYSA-N;134.14;0.21;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNa_SP1";;;;;;;0.04;;-2.54;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM409269;MM409269;C=Cn1ncc(C)cc1=O;NBVXJVIMZVICBI-UHFFFAOYSA-N;136.15;0.65;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP1_SP1";;;;;;;-0.79;;-3.13;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM409270;MM409270;C#CC(=CC1CC1C)OC;WETZOPBHXUMFKQ-UHFFFAOYSA-N;136.19;1.81;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_SC5";;;;;;;1.64;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM409271;MM409271;C=CNC(=O)C(C=C)CO;PSISTDGUKHATRW-UHFFFAOYSA-N;141.17;0.04;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda_P2";;;;;;;-0.24;;-3.31;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM409272;MM409272;C#CCc1ncc(C#N)o1;YFIXKAOOYBODFW-UHFFFAOYSA-N;132.12;0.72;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNa_SP1";;;;;;;0.04;;-2.54;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM409273;MM409273;C#CC#CCC(C#C)CO;UIQPVAIBNWKXKQ-UHFFFAOYSA-N;132.16;0.25;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda_N0";;;;;;;1.17;;-1.13;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM409274;MM409274;C#Cc1ncn(C=C)c1N;ATDPVIZBYZNWQL-UHFFFAOYSA-N;133.15;0.55;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNa_SP1";;;;;;;0.04;;-2.54;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM409275;MM409275;Cc1cnn(C=N)c(=O)c1;XCKWMRCCIMSQNE-UHFFFAOYSA-N;137.14;0.01;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP1_SP2";;;;;;;-1.06;;-3.82;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM409276;MM409276;C=CNC1=NC(=O)C=N1;XXIGGOVPPQAIBK-UHFFFAOYSA-N;123.12;-0.31;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNd_SP1";;;;;;;0.04;;-2.63;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM409277;MM409277;C#CC(=CC1CC1N)OC;GNVLJYLKZZOSNL-UHFFFAOYSA-N;137.18;0.5;;;;;DOPC;MDCG;27;1;"MARTINI bead: Na_SP1";;;;;;;0.04;;-5.13;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM409278;MM409278;C#CCc1nnc(C=C)o1;OLFMCLVREMEQSZ-UHFFFAOYSA-N;134.14;0.89;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP1_SNa";;;;;;;0.04;;-2.54;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM409279;MM409279;C#CC#CCC(C#C)CF;DAMFKEJBXRDLCA-UHFFFAOYSA-N;134.15;1.23;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_C4";;;;;;;2.2;;0.34;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM409280;MM409280;C#Cc1ncn(C=O)c1N;VBOOEFQXBQEIBE-UHFFFAOYSA-N;135.13;-0.52;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNa_SP2";;;;;;;-0.24;;-3.24;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM409281;MM409281;C=CC(C=O)N1CC1C#N;KBRBWOHQDBCXDP-UHFFFAOYSA-N;136.15;-0.05;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_SP2";;;;;;;-1.34;;-4.31;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM409282;MM409282;C=CNC(=O)C(C=O)CO;UDYGKJASHQQWCN-UHFFFAOYSA-N;143.14;-0.95;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_P2";;;;;;;-1.34;;-4.31;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM409283;MM409283;C#CC(=CC1CC1O)OC;RJOMXUULGGBCLJ-UHFFFAOYSA-N;138.17;0.53;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_SP1";;;;;;;0.04;;-2.54;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM409284;MM409284;C#CCc1nnc(C=O)o1;MVTXUZIKDGNPTE-UHFFFAOYSA-N;136.11;0.06;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP2_SNa";;;;;;;-0.24;;-3.24;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM409285;MM409285;C#CC#CCC(C#C)NC;QEASCAANWMLBLR-UHFFFAOYSA-N;131.18;0.23;;;;;DOPC;MDCG;27;1;"MARTINI bead: P2_C4";;;;;;;1.09;;-1.61;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM409286;MM409286;C#Cc1ncn(C=C)c1O;DZZAFJRKOYQCMG-UHFFFAOYSA-N;134.14;0.67;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNa_SNda";;;;;;;0.87;;-1.99;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM409287;MM409287;N=c1nc2c(co1)C(=O)C2;KJZPRHUPGMLTHM-UHFFFAOYSA-N;136.11;-0.11;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP1_SNa";;;;;;;0.04;;-2.54;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM409288;MM409288;N#CC(CO)C(=O)NC=N;FHTGOBHNVRCYIG-UHFFFAOYSA-N;141.13;-1.16;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_P4";;;;;;;-2.29;;-5.95;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM409289;MM409289;C#CCc1nnc(C#N)o1;MXTNOOXGJDQFKI-UHFFFAOYSA-N;133.11;0.12;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNa_SP1";;;;;;;0.04;;-2.54;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM409290;MM409290;C#CC(=CC1CC1F)OC;JBCKNLMKNDCTQE-UHFFFAOYSA-N;140.16;1.51;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_SNa";;;;;;;0.87;;-2.22;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM409291;MM409291;C#CC#CCC(C#C)OC;OSLBFWFOBZLEMD-UHFFFAOYSA-N;132.16;0.66;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_C4";;;;;;;2.2;;0.34;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM409292;MM409292;C#Cc1ncn(C=N)c1O;ZTSZEOFCSULKKK-UHFFFAOYSA-N;135.13;0.03;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNa_SP2";;;;;;;-0.24;;-3.24;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM409293;MM409293;Nc1cnn(C=O)c(=O)c1;BDDRBHLMIJTTNP-UHFFFAOYSA-N;139.11;-1.14;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP1_SP2";;;;;;;-1.06;;-3.82;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM409294;MM409294;O=CNC(=O)C(C=O)CO;FLMKAMCQEZSPMN-UHFFFAOYSA-N;145.11;-1.93;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_P3";;;;;;;-2.2;;-5.19;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM409295;MM409295;C#CC(=CC1NC1C)CN;AEUSBLNXBGKRKJ-UHFFFAOYSA-N;136.2;-0.14;;;;;DOPC;MDCG;27;1;"MARTINI bead: SP1_Nd";;;;;;;0.04;;-4.41;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM409296;MM409296;C#CC1=CC=C(CCC)C1;VGNNDTGAPRXXKZ-UHFFFAOYSA-N;132.21;2.68;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC1_SC5";;;;;;;3.68;;0.46;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM409297;MM409297;C=CC(C=C)CC#CCC;SBOMNYLHIRSKPP-UHFFFAOYSA-N;134.22;2.78;;;;;DOPC;MDCG;27;0;"MARTINI bead: C3_C2";;;;;;;4.53;;0.32;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM409298;MM409298;NC(N)=C(F)C(=O)O;GOFZCMFQMCZJTQ-UHFFFAOYSA-N;120.08;-0.87;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_P1";;;;;;;-0.79;;-8.85;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM409299;MM409299;C=Cn1ncc(F)cc1=O;OXFPOHCCPMAIDN-UHFFFAOYSA-N;140.12;0.48;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP1_SP1";;;;;;;-0.79;;-3.13;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM409300;MM409300;C=CC12CC(=O)CN1C2;HHEUKRSIBKWASO-UHFFFAOYSA-N;123.16;0.2;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP1_SP2";;;;;;;-1.06;;-3.82;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM409301;MM409301;C#CC1=CC=C(CCN)C1;IOJSGDADPWHFJL-UHFFFAOYSA-N;133.19;1.22;;;;;DOPC;MDCG;27;1;"MARTINI bead: SNd_SC5";;;;;;;1.64;;-2.65;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM409302;MM409302;C#CC(=CC1OC1C)CC;GYAFMMXJXLARGE-UHFFFAOYSA-N;136.19;1.74;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4_SNa";;;;;;;2.2;;0.34;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM409303;MM409303;C=CC(C=C)CC#CCN;FBOOPGAPMXRKLS-UHFFFAOYSA-N;135.21;1.33;;;;;DOPC;MDCG;27;1;"MARTINI bead: P2_C1";;;;;;;1.8;;-0.43;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM409304;MM409304;C#Cc1ncn(C=C)c1F;IJGIGTZBSGERIA-UHFFFAOYSA-N;136.13;1.1;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNa_SNa";;;;;;;0.87;;-2.22;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM409305;MM409305;N=Cn1ncc(F)cc1=O;UYSFHCRCNZJGIT-UHFFFAOYSA-N;141.11;-0.16;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP1_SP2";;;;;;;-1.06;;-3.82;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM409306;MM409306;C=CC(CN)C(=N)NN=C;DVEUPBQLVDOWJI-UHFFFAOYSA-N;140.19;-0.07;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_P2";;;;;;;-0.24;;-4.2;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM409307;MM409307;C#CC(=CC1OC1C)CN;GRGZWTDSXNMLKH-UHFFFAOYSA-N;137.18;0.29;;;;;DOPC;MDCG;27;1;"MARTINI bead: SNa_Nd";;;;;;;0.87;;-3.66;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM409308;MM409308;C#CC1=CC=C(CNC)C1;YUBGQOFCINLVCV-UHFFFAOYSA-N;133.19;1.1;;;;;DOPC;MDCG;27;1;"MARTINI bead: SNd_SC5";;;;;;;1.64;;-2.4;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM409309;MM409309;C=CC(C=C)CC#CCO;YBNICJXLVKRNSD-UHFFFAOYSA-N;136.19;1.36;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_C1";;;;;;;1.8;;0.4;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM409310;MM409310;C#Cc1ncn(C=N)c1F;DVLZHTPBVXJJNL-UHFFFAOYSA-N;137.12;0.46;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNa_SP1";;;;;;;0.04;;-2.54;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM409311;MM409311;O=Cn1ncc(F)cc1=O;CVKWHCQOYYXGLO-UHFFFAOYSA-N;142.09;-0.58;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP1_SP2";;;;;;;-1.06;;-3.82;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM409312;MM409312;C=CC1CC(C=C)C1O;KXCVCRHBGTUTRO-UHFFFAOYSA-N;124.18;1.36;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC4_SNda";;;;;;;2.2;;0.49;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM409313;MM409313;C=CC(C=C)CC#CCF;YNWMPKUAYDVDJO-UHFFFAOYSA-N;138.19;2.34;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_C1";;;;;;;2.91;;0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM409314;MM409314;C#CC(=CC1OC1C)CO;XSCLOJAMVCRKEI-UHFFFAOYSA-N;138.17;0.33;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNa_Nda";;;;;;;0.87;;-1.99;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM409315;MM409315;C#CC1=CC=C(OCC)C1;LJRLRWIBQDBVIK-UHFFFAOYSA-N;134.18;1.87;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC4_SC5";;;;;;;2.97;;0.45;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM409316;MM409316;C#Cc1cnn(C=N)c1C;KAXBCKZNXYRLNY-UHFFFAOYSA-N;133.15;0.63;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP1_SP1";;;;;;;-0.79;;-3.13;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM409317;MM409317;C=Nn1ncc(C)cc1=N;JZIKZEAHUFVJRL-UHFFFAOYSA-N;136.16;0.13;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP1_SP2";;;;;;;-1.06;;-3.82;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM409318;MM409318;C=CC(CN)C(=O)NN=C;UWRVUJAUDQJTJA-UHFFFAOYSA-N;141.17;-0.52;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_P2";;;;;;;-0.24;;-4.84;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM409319;MM409319;C=CC(C=O)CC#CCC;BHYHLBISQZYJID-UHFFFAOYSA-N;136.19;1.79;;;;;DOPC;MDCG;27;0;"MARTINI bead: C3_Na";;;;;;;2.57;;0.45;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM409320;MM409320;C#CC(=CC1OC1C)CF;DJLMMKYEJGSEQO-UHFFFAOYSA-N;140.16;1.3;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNa_C5";;;;;;;1.64;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM409321;MM409321;C#Cc1cnn(C=O)c1C;RPDPLIWNWVLRMW-UHFFFAOYSA-N;134.14;0.21;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP1_SP1";;;;;;;-0.79;;-3.13;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM409322;MM409322;C#CC1=NN=C(CCC)C1;DSZKLODZDPILJG-UHFFFAOYSA-N;134.18;1.62;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC5_SN0";;;;;;;1.94;;0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM409323;MM409323;CCC1(O)CC1(C)C;STECWHJOLMNMAE-UHFFFAOYSA-N;114.19;1.56;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_SNda";;;;;;;1.64;;0.05;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM409324;MM409324;C=CC(NC)C(=C)NC=N;BVAGESHABMIIPC-UHFFFAOYSA-N;139.2;0.47;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_P2";;;;;;;-0.24;;-6.73;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM409325;MM409325;C=CC(C#N)CC#CCC;UZVHSBBNOIBLPR-UHFFFAOYSA-N;133.19;2.12;;;;;DOPC;MDCG;27;0;"MARTINI bead: C3_N0";;;;;;;2.87;;0.37;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM409326;MM409326;C#CC(=CC1OC1C)OC;BZBJQPIRHQGXIY-UHFFFAOYSA-N;138.17;0.94;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_SNa";;;;;;;0.87;;-2.22;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM409327;MM409327;C#CC1=NN=C(CCN)C1;OBEMDQMNLZTDLU-UHFFFAOYSA-N;135.17;0.17;;;;;DOPC;MDCG;27;1;"MARTINI bead: SNd_SN0";;;;;;;1.17;;-3.43;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM409328;MM409328;C#Cc1cnn(C=C)c1N;VLLCBKJPJJKAGO-UHFFFAOYSA-N;133.15;0.55;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP1_SP1";;;;;;;-0.79;;-3.13;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM409329;MM409329;C=Nn1ncc(F)cc1=N;LEVVDJBOKYRZTH-UHFFFAOYSA-N;140.12;-0.03;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP1_SP2";;;;;;;-1.06;;-3.82;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM409330;MM409330;CC(=CF)C1NC1C=O;WHXFKEZDWPLWIK-UHFFFAOYSA-N;129.13;0.4;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4_SP2";;;;;;;1.09;;-0.38;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM409331;MM409331;C#CC(=CC1CN1C)CC;KNPZMGMADWXSGE-UHFFFAOYSA-N;135.21;1.27;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4_SP1";;;;;;;1.37;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM409332;MM409332;C=CC(C#N)CC#CCO;UCLMHQHFDOGEOM-UHFFFAOYSA-N;135.17;0.7;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_C5";;;;;;;0.54;;-1.09;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM409333;MM409333;C#Cc1cnn(C=N)c1N;OLZHETTWPBXAJV-UHFFFAOYSA-N;134.14;-0.1;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP1_SP2";;;;;;;-1.06;;-3.82;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM409334;MM409334;C#Cc1ccc(CCC)[nH]1;ZWSMDCXRWIHNKJ-UHFFFAOYSA-N;133.19;1.95;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC4_SNd";;;;;;;2.2;;0.32;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM409335;MM409335;C=Nn1ncc(C)cc1=O;BBFBRWLNLVMTCX-UHFFFAOYSA-N;137.14;0.02;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP1_SP2";;;;;;;-1.06;;-3.82;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM409336;MM409336;C=CNC(=N)C(C=O)NC;FLTAPIWHJDRIKX-UHFFFAOYSA-N;141.17;-0.52;;;;;DOPC;MDCG;27;1;"MARTINI bead: P2_P2";;;;;;;-1.34;;-6.49;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM409337;MM409337;C#CC(=CC1CN1C)CN;DIWFVGPLOUVAEC-UHFFFAOYSA-N;136.2;-0.18;;;;;DOPC;MDCG;27;1;"MARTINI bead: SP1_Nd";;;;;;;0.04;;-4.41;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM409338;MM409338;C#Cc1ccc(CCN)[nH]1;XPRUSYUTYDHFSD-UHFFFAOYSA-N;134.18;0.5;;;;;DOPC;MDCG;27;1;"MARTINI bead: SNd_SNd";;;;;;;0.87;;-4.62;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM409339;MM409339;C=CC(C=O)CC#CCF;OOISEPIZVHDVGW-UHFFFAOYSA-N;140.16;1.35;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_Na";;;;;;;0.87;;-2.22;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM409340;MM409340;C#Cc1cnn(C=O)c1N;YRQDCIQMYPJTPJ-UHFFFAOYSA-N;135.13;-0.52;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP1_SP2";;;;;;;-1.06;;-3.82;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM409341;MM409341;CCC1(O)C(C)C1C;UIXWEEWTJCXTLA-UHFFFAOYSA-N;114.19;1.41;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_SNda";;;;;;;1.64;;0.05;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM409342;MM409342;COC(C#CC(C)F)=NN;LZZHCMNHVRQVFG-UHFFFAOYSA-N;144.15;0.27;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_C5";;;;;;;0.81;;-0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM409343;MM409343;CNC(C#N)C(=N)NC=N;DFIUXRMDPDFJJU-UHFFFAOYSA-N;139.16;-0.73;;;;;DOPC;MDCG;27;1;"MARTINI bead: P2_P2";;;;;;;-1.34;;-5.6;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM409344;MM409344;C=C1CC(=NN)OC1=O;ZKSIJOVCXBGPSO-UHFFFAOYSA-N;126.12;-0.24;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNd_SNa";;;;;;;0.87;;-1.88;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM409345;MM409345;CC(C#N)N(C)CC(=O)O;VLPURJHUUSTEOT-UHFFFAOYSA-N;142.16;-0.09;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_P1";;;;;;;-0.79;;-8.85;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM409346;MM409346;C=CC(C#N)CC#CCF;SMSDIWAWPIWSGL-UHFFFAOYSA-N;137.16;1.68;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_C5";;;;;;;1.64;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM409347;MM409347;C=Nn1ncc(F)cc1=O;LPLDDHFTTHPUKW-UHFFFAOYSA-N;141.11;-0.15;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP1_SP2";;;;;;;-1.06;;-3.82;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM409348;MM409348;C=C1OC(=NN)C=C1C;RKMUQWNRYYQFBZ-UHFFFAOYSA-N;124.14;0.75;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNda_SC5";;;;;;;1.64;;0.05;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM409349;MM409349;C#CC(=CC1CN1C)CF;BIKYPRZFWBWOIK-UHFFFAOYSA-N;139.17;0.83;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP1_C5";;;;;;;0.81;;-0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM409350;MM409350;CNN=COCCOC;FBGWRHQLMDBYBD-UHFFFAOYSA-N;132.16;-0.19;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_Na";;;;;;;-0.24;;-3.24;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM409351;MM409351;Cc1c(F)[nH]n(O)c1=O;BAQBWMZAKDZCDG-UHFFFAOYSA-N;132.09;-0.14;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNda_SP2";;;;;;;-0.24;;-8.45;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM409352;MM409352;CC=C1C=CC(C)=CC1N;USNDASMEXQWJRT-UHFFFAOYSA-N;135.21;1.78;;;;;DOPC;MDCG;27;1;"MARTINI bead: SN0_SC4";;;;;;;2.5;;-0.35;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM409353;MM409353;CCC#CCC(C=O)C=O;FXIDNMBPJVYVJJ-UHFFFAOYSA-N;138.17;0.8;;;;;DOPC;MDCG;27;0;"MARTINI bead: C3_Na";;;;;;;2.57;;0.46;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM409354;MM409354;C#CC(=CC1CN1C)OC;ANIVWYZQFADZJE-UHFFFAOYSA-N;137.18;0.46;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_SP1";;;;;;;0.04;;-2.54;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM409355;MM409355;C#Cc1nc(CCN)c[nH]1;LKAXAEICPGOVMW-UHFFFAOYSA-N;135.17;-0.11;;;;;DOPC;MDCG;27;1;"MARTINI bead: SP2_SNd";;;;;;;-0.24;;-5.32;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM409356;MM409356;CC=COC=NNCC;HEHTVFPUOCUBNE-UHFFFAOYSA-N;128.18;1.09;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nd_Na";;;;;;;0.87;;-1.88;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM409357;MM409357;CN=c1ccc(C)cn1C;PPRRJFZADWIINM-UHFFFAOYSA-N;136.2;0.86;;;;;DOPC;MDCG;27;1;"MARTINI bead: SN0_SN0";;;;;;;1.47;;-5.26;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM409358;MM409358;C=COC(C#N)=CC(=O)O;SVFBJRXTLQCTJV-UHFFFAOYSA-N;139.11;0.64;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_C5";;;;;;;0.81;;-6.08;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM409359;MM409359;O=CC(C=O)CC#CCO;AKQQNVBNMZAQCB-UHFFFAOYSA-N;140.14;-0.61;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_Na";;;;;;;-0.24;;-3.24;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM409360;MM409360;C#CC(CC)=NN1CC1C;VSIXUYGWPFRXBD-UHFFFAOYSA-N;136.2;1.09;;;;;DOPC;MDCG;27;0;"MARTINI bead: N0_SP1";;;;;;;0.34;;-1.53;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM409361;MM409361;C=C1OC(=NN)C=C1N;FRINYLFIEWCXRE-UHFFFAOYSA-N;125.13;-0.35;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNd_SNda";;;;;;;0.87;;-1.92;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM409362;MM409362;Cc1ccc(=NN)n(C)c1;VGEJKUXYZDBYQA-UHFFFAOYSA-N;137.19;0.11;;;;;DOPC;MDCG;27;1;"MARTINI bead: SN0_SNd";;;;;;;1.17;;-4.19;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM409363;MM409363;CCNN=COC=CF;GTXOWFJOIFOZQP-UHFFFAOYSA-N;132.14;1;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nd_Na";;;;;;;0.87;;-1.88;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM409364;MM409364;C#Cc1cnn(C=C)c1F;XWJUDOKFFQAUPO-UHFFFAOYSA-N;136.13;1.1;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP1_SNa";;;;;;;0.04;;-2.54;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM409365;MM409365;N#CC(C#N)CC#CCO;KQCMPGDBVNAGBE-UHFFFAOYSA-N;134.14;0.04;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda_P2";;;;;;;-0.24;;-3.31;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM409366;MM409366;C=C(C)C#CC(=NN)OC;DBCCSPQAQDTQSS-UHFFFAOYSA-N;138.17;0.48;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_C5";;;;;;;0.81;;-0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM409367;MM409367;C=CC(OC)C(=C)NC=N;ORYFPPZMZNYQSE-UHFFFAOYSA-N;140.19;0.9;;;;;DOPC;MDCG;27;1;"MARTINI bead: C4_P3";;;;;;;0.23;;-4.35;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM409368;MM409368;C=C1OC(=NN)C=C1F;INRQQXHDMXNFQJ-UHFFFAOYSA-N;128.11;0.66;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNda_SNa";;;;;;;0.87;;-1.99;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM409369;MM409369;CN=c1ccc(N)cn1C;CDHLHWVVAODQMQ-UHFFFAOYSA-N;137.19;0.14;;;;;DOPC;MDCG;27;1;"MARTINI bead: SN0_SNd";;;;;;;1.17;;-5.74;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM409370;MM409370;C#Cc1cnn(C=N)c1F;WFTABCJBGPCMJH-UHFFFAOYSA-N;137.12;0.46;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP1_SNda";;;;;;;0.04;;-2.73;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM409371;MM409371;C=CC(C=C)=CC1CC1C;WVCOCGHNTIWSDW-UHFFFAOYSA-N;134.22;2.94;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC5_C2";;;;;;;3.6;;0.34;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM409372;MM409372;O=CC(C=O)CC#CCF;GHOFASHCWCVHOT-UHFFFAOYSA-N;142.13;0.36;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_Na";;;;;;;0.87;;-2.22;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM409373;MM409373;C=CC(OC)C(=C)NC=O;DSKGVHFKPJQCPO-UHFFFAOYSA-N;141.17;0.45;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4_P3";;;;;;;0.23;;-1.03;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM409374;MM409374;C#Cc1nc(CCC)n[nH]1;USFPTBDUVQDVPC-UHFFFAOYSA-N;135.17;0.74;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNda_SP1";;;;;;;0.04;;-2.73;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM409375;MM409375;Cn1cc(N)ccc1=NN;XRAMHVLALNMLJH-UHFFFAOYSA-N;138.17;-0.62;;;;;DOPC;MDCG;27;1;"MARTINI bead: SNd_SNd";;;;;;;0.87;;-4.67;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM409376;MM409376;C#Cc1cnn(N=C)c1C;WDLHKQXUUZTFAS-UHFFFAOYSA-N;133.15;0.64;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP1_SNa";;;;;;;0.04;;-2.54;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM409377;MM409377;C=CC(C=O)=CC1CC1C;IACWWBZLLWARHY-UHFFFAOYSA-N;136.19;1.95;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC5_Na";;;;;;;1.64;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM409378;MM409378;N#CC(C=O)CC#CCF;USGRNANBRKHPGV-UHFFFAOYSA-N;139.13;0.69;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_Na";;;;;;;0.87;;-2.22;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM409379;MM409379;C=CC(OC)C(=N)NC=O;CQIPYZOVIHPGAH-UHFFFAOYSA-N;142.16;-0.09;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_P4";;;;;;;-1.19;;-4.76;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM409380;MM409380;C#Cc1nc(NCC)n[nH]1;FNRMTSXMMCVVLK-UHFFFAOYSA-N;136.16;0.22;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNda_SP1";;;;;;;0.04;;-2.73;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM409381;MM409381;C#Cc1cnn(N=C)c1N;YZBOJUDIUSFXIN-UHFFFAOYSA-N;134.14;-0.09;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP1_SP1";;;;;;;-0.79;;-3.13;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM409382;MM409382;C=NN(C=O)C=NN;XSIMTPFQUPGZPQ-UHFFFAOYSA-N;114.11;-1.04;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_P2";;;;;;;-1.06;;-3.82;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM409383;MM409383;C=CC(C#N)=CC1CC1C;HXNBMQDSYYGJPX-UHFFFAOYSA-N;133.19;2.28;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC5_C5";;;;;;;2.41;;0.64;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM409384;MM409384;C=CN(C=N)CC#CCC;GSRBHZGMKLEWTB-UHFFFAOYSA-N;136.2;1.45;;;;;DOPC;MDCG;27;1;"MARTINI bead: C3_P2";;;;;;;1.46;;-2.35;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM409385;MM409385;C#Cc1ccc(CCC)o1;MTTIWYWKZUVOEG-UHFFFAOYSA-N;134.18;2.21;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC3_SN0";;;;;;;2.87;;0.37;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM409386;MM409386;COC(C=O)C(=N)NC=O;ZKBPNUUQCQMFNU-UHFFFAOYSA-N;144.13;-1.08;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_P4";;;;;;;-2.01;;-5.13;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM409387;MM409387;N=CN=c1[nH]nno1;XQJODGNZZFLGTH-UHFFFAOYSA-N;113.08;-1.09;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP2_SP2";;;;;;;-1.34;;-9.57;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM409388;MM409388;Cn1cc(O)ccc1=NN;GTJISKLJRLNOTF-UHFFFAOYSA-N;139.16;-0.49;;;;;DOPC;MDCG;27;1;"MARTINI bead: SNda_SNd";;;;;;;0.87;;-3.45;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM409389;MM409389;CC1CC1C=C(C=O)C=O;PESDVSRSYDMSKA-UHFFFAOYSA-N;138.17;0.97;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC5_Na";;;;;;;1.64;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM409390;MM409390;C=CN(C=N)CC#CCN;JRCHMTAPABSMCD-UHFFFAOYSA-N;137.19;;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_P2";;;;;;;-0.24;;-5.51;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM409391;MM409391;C=CC(OC)C(=O)NC=N;GUUQMYMJCLKZMF-UHFFFAOYSA-N;142.16;-0.09;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_P4";;;;;;;-1.19;;-4.76;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM409392;MM409392;C#Cc1ccc(CCN)o1;SFYFEHSLLWJNHK-UHFFFAOYSA-N;135.17;0.76;;;;;DOPC;MDCG;27;1;"MARTINI bead: SNd_SN0";;;;;;;1.17;;-3.15;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM409393;MM409393;C#Cc1cnn(N=C)c1F;GDNYFYNARGEFGX-UHFFFAOYSA-N;137.12;0.47;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP1_SNa";;;;;;;0.04;;-2.54;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM409394;MM409394;CN=c1ccc(F)cn1C;GQYRDGDWAMNZRF-UHFFFAOYSA-N;140.16;0.69;;;;;DOPC;MDCG;27;1;"MARTINI bead: SN0_SNa";;;;;;;1.17;;-4.25;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM409395;MM409395;C=CN(C=N)CC#CCF;YCNJKKRTLBRPMC-UHFFFAOYSA-N;140.16;1.01;;;;;DOPC;MDCG;27;1;"MARTINI bead: C5_P2";;;;;;;0.54;;-3.41;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM409396;MM409396;CC1CC1C=C(C#N)C=O;AEHQVDIFEFYZEE-UHFFFAOYSA-N;135.17;1.29;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC5_Na";;;;;;;1.64;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM409397;MM409397;COC(C=O)C(=O)NC=N;NLJHVUSDNVLSOD-UHFFFAOYSA-N;144.13;-1.08;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_P4";;;;;;;-2.01;;-5.13;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM409398;MM409398;C#Cc1ccc(NCC)o1;IXNNOWXQYMUPSB-UHFFFAOYSA-N;135.17;1.69;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC5_SN0";;;;;;;1.94;;0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM409399;MM409399;C#Cc1nnn(C=C)c1C;LTYPFUNFOHJILY-UHFFFAOYSA-N;133.15;0.67;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP1_SP1";;;;;;;-0.79;;-3.13;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM409400;MM409400;Cn1cc(F)ccc1=NO;AEAUCUHDCDRRQG-UHFFFAOYSA-N;142.13;0.45;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNa_SNda";;;;;;;0.87;;-1.99;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM409401;MM409401;C=CN(C=O)CC#CCC;NYJPGLQRIFGYKB-UHFFFAOYSA-N;137.18;1;;;;;DOPC;MDCG;27;0;"MARTINI bead: C3_P2";;;;;;;1.46;;-0.15;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM409402;MM409402;COC(C#N)C(=O)NC=O;FANNPYMUSWRRPX-UHFFFAOYSA-N;142.11;-1.2;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_P2";;;;;;;-1.34;;-4.31;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM409403;MM409403;CC1CC1C=C(C#N)C#N;VUKGCKJAPFSLLK-UHFFFAOYSA-N;132.17;1.62;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC5_N0";;;;;;;1.94;;0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM409404;MM409404;C#Cc1ncc(CCC)o1;XNUJUJDVMIANKU-UHFFFAOYSA-N;135.17;1.61;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC5_SNa";;;;;;;1.64;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM409405;MM409405;C#Cc1nnn(C=N)c1C;UTHIJTBLQMPJFC-UHFFFAOYSA-N;134.14;0.02;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP1_SP2";;;;;;;-1.06;;-3.82;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM409406;MM409406;CN=c1ccc(C)cn1N;JTIUGJSMSPBALN-UHFFFAOYSA-N;137.19;0.04;;;;;DOPC;MDCG;27;1;"MARTINI bead: SNd_SN0";;;;;;;1.17;;-3.97;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM409407;MM409407;C=COC(=C)C(C=C)CC;HDYKGAGJKHHSLM-UHFFFAOYSA-N;138.21;2.87;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1_C5";;;;;;;3.68;;0.46;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM409408;MM409408;C=CN(C=O)CC#CCN;XROXPPBCHYKXPA-UHFFFAOYSA-N;138.17;-0.45;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_P2";;;;;;;-0.24;;-4.31;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM409409;MM409409;C=CC(C=C)=CC1CC1N;KFQPTGSXSZGBBO-UHFFFAOYSA-N;135.21;1.63;;;;;DOPC;MDCG;27;1;"MARTINI bead: SP1_C2";;;;;;;2;;-1.23;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM409410;MM409410;C#Cc1cnc(CCC)o1;AEHGMIJDHWRXEE-UHFFFAOYSA-N;135.17;1.61;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC5_SN0";;;;;;;1.94;;0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM409411;MM409411;C#Cc1nnn(C=O)c1C;UBMBZEZPMBQWMU-UHFFFAOYSA-N;135.13;-0.39;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP1_SP1";;;;;;;-0.79;;-3.13;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM409412;MM409412;CC(C=O)NN(C)C=O;BRHSAJJJBTUSEQ-UHFFFAOYSA-N;130.15;-0.83;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_P4";;;;;;;-1.19;;-4.76;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM409413;MM409413;C=CC(CC)C(=C)OC=O;NTRMAOVWHVKCGM-UHFFFAOYSA-N;140.18;1.89;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1_Na";;;;;;;2.91;;0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM409414;MM409414;C=CN(C=O)CC#CCO;YKRPTLTVVSBCLD-UHFFFAOYSA-N;139.15;-0.42;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda_P2";;;;;;;-0.24;;-3.31;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM409415;MM409415;C#CC(=NN)OC=C(C)C;GZBQIHVVONPJPD-UHFFFAOYSA-N;138.17;0.83;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4_P2";;;;;;;1.09;;-0.38;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM409416;MM409416;C#Cc1nnc(CCC)o1;CLRZMZHJFVNYIX-UHFFFAOYSA-N;136.15;1;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNa_SP1";;;;;;;0.04;;-2.54;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM409417;MM409417;C#Cc1nnn(C=C)c1N;BFYGSJRUQRUEES-UHFFFAOYSA-N;134.14;-0.06;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP1_SP2";;;;;;;-1.06;;-3.82;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM409418;MM409418;CN=c1ccc(N)cn1N;BNDIJUFNNCYPOU-UHFFFAOYSA-N;138.17;-0.69;;;;;DOPC;MDCG;27;1;"MARTINI bead: SNd_SNd";;;;;;;0.87;;-4.48;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM409419;MM409419;C=COC(=C)C(C#N)CC;HZQYDNAZANNJBP-UHFFFAOYSA-N;137.18;2.21;;;;;DOPC;MDCG;27;0;"MARTINI bead: N0_C5";;;;;;;1.94;;0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM409420;MM409420;C#CC1=CC=C(CC=C)C1;RUZYEOYQLFCXKW-UHFFFAOYSA-N;130.19;2.45;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC4_SC5";;;;;;;2.97;;0.45;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM409421;MM409421;N=CN(C=N)CC#CCN;UXXCHLCTNLVSBO-UHFFFAOYSA-N;138.17;-0.54;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1_P2";;;;;;;-1.06;;-5.05;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM409422;MM409422;C=CC(C#N)=CC1CC1O;DXGAFJDUOKXCHM-UHFFFAOYSA-N;135.17;1;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP1_C5";;;;;;;0.81;;-0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM409423;MM409423;C#Cc1nnn(C=N)c1N;ORUTUFJUWBCSCJ-UHFFFAOYSA-N;135.13;-0.7;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP1_SP2";;;;;;;-1.06;;-3.82;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM409424;MM409424;C=C(C)C1(O)CC=CC1;DJDYVRMIXMUCFO-UHFFFAOYSA-N;124.18;1.64;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC5_SC5";;;;;;;2.41;;0.64;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM409425;MM409425;C=CC(CN)C(=C)OC=O;XFHTZCZRDALQLJ-UHFFFAOYSA-N;141.17;0.43;;;;;DOPC;MDCG;27;1;"MARTINI bead: N0_P1";;;;;;;0.34;;-4.19;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM409426;MM409426;C#CC1=CC=C(CC=O)C1;ZDNNVKISWRVESL-UHFFFAOYSA-N;132.16;1.47;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNa_SC5";;;;;;;1.64;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM409427;MM409427;N=CN(C=O)CC#CCN;YVPYIBORNLRCCJ-UHFFFAOYSA-N;139.16;-0.99;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_P4";;;;;;;-1.19;;-6.04;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM409428;MM409428;N#CC(C=O)=CC1CC1O;NLJGRGDQOGCDJK-UHFFFAOYSA-N;137.14;0.02;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP1_Na";;;;;;;0.04;;-2.54;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM409429;MM409429;CCC(=O)CC1C(C)N1C;VRJBRLQXMLGQGI-UHFFFAOYSA-N;141.21;1.06;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_SNd";;;;;;;0.87;;-1.88;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM409430;MM409430;C=COC(=C)C(C#N)CO;SEDCKWQNQLXDHY-UHFFFAOYSA-N;139.15;0.79;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_C5";;;;;;;0.54;;-1.09;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM409431;MM409431;CN=c1ccc(O)cn1N;YZDIDWHJMPPMHG-UHFFFAOYSA-N;139.16;-0.56;;;;;DOPC;MDCG;27;1;"MARTINI bead: SNd_SNda";;;;;;;0.87;;-3.28;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM409432;MM409432;C=Nn1oc(NC)nc1=N;AVNFVOPOLFWMPF-UHFFFAOYSA-N;141.13;-0.54;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNda_SP2";;;;;;;-0.24;;-3.31;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM409433;MM409433;C#CC1=CC=C(CC#N)C1;FXDXKDHHGAASHN-UHFFFAOYSA-N;129.16;1.79;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC5_SN0";;;;;;;1.94;;0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM409434;MM409434;C=CC(C=C)=CC1CC1F;FNSFCPURRWEODI-UHFFFAOYSA-N;138.19;2.64;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNa_C2";;;;;;;2.83;;0.35;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM409435;MM409435;CC(C)(C#N)NCC(=O)O;FYKJPCCCZCGGED-UHFFFAOYSA-N;142.16;-0.04;;;;;DOPC;MDCG;27;0;"MARTINI bead: N0_P4";;;;;;;-0.88;;-7.43;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM409436;MM409436;C=COC(=O)C(C#N)CC;QCOWBPWBTOMOAX-UHFFFAOYSA-N;139.15;1.22;;;;;DOPC;MDCG;27;0;"MARTINI bead: N0_Na";;;;;;;1.17;;-1.18;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM409437;MM409437;Nn1cc(O)ccc1=NO;DPOONSGGVFCLSE-UHFFFAOYSA-N;141.13;-0.8;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNda_SP1";;;;;;;0.04;;-2.73;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM409438;MM409438;C#CC1=CC=C(NC=N)C1;ZVADZXIIFKYLFW-UHFFFAOYSA-N;132.17;1.03;;;;;DOPC;MDCG;27;1;"MARTINI bead: SNd_SC5";;;;;;;1.64;;-3.39;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM409439;MM409439;CCC#CCN(C=O)C=O;MXUGNUZMGMBSTL-UHFFFAOYSA-N;139.15;0.01;;;;;DOPC;MDCG;27;0;"MARTINI bead: C3_P4";;;;;;;0.52;;-1.59;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM409440;MM409440;C=CC(C#N)=CC1NC1C;YDEKPXDIXXXILI-UHFFFAOYSA-N;134.18;0.98;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP1_C5";;;;;;;0.81;;-0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM409441;MM409441;ON=c1nc(F)c(O)no1;BBZSGKQKJVKJPJ-UHFFFAOYSA-N;147.07;-0.8;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP2_SP2";;;;;;;-1.34;;-9.57;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM409442;MM409442;C=COC(=O)C(C=O)CO;SKWVBZUVKKOVOW-UHFFFAOYSA-N;144.13;-0.52;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_Na";;;;;;;-0.24;;-3.24;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM409443;MM409443;COC(=O)N(N)C=NN;QUXIJHREJGBMQI-UHFFFAOYSA-N;132.12;-1.17;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_P1";;;;;;;-1.06;;-3.82;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM409444;MM409444;C#CC1=CC=C(NC=O)C1;PUXAQISOUXJEIX-UHFFFAOYSA-N;133.15;0.58;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNda_SC5";;;;;;;1.64;;0.05;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM409445;MM409445;NCC#CCN(C=O)C=O;YYQTVTOPMQZQBK-UHFFFAOYSA-N;140.14;-1.44;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_P4";;;;;;;-1.19;;-6.04;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM409446;MM409446;CC1NC1C=C(C#N)C=O;TXFKIAGELWNBSF-UHFFFAOYSA-N;136.15;;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP1_Na";;;;;;;0.04;;-2.54;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM409447;MM409447;CONC(=O)C(F)(F)F;JPONKUPQQBUFMY-UHFFFAOYSA-N;143.06;0.23;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_C5";;;;;;;0.54;;-6.23;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM409448;MM409448;C=CC(CN)C(=O)ON=C;RLIRHSUNEGYYMO-UHFFFAOYSA-N;142.16;-0.09;;;;;DOPC;MDCG;27;1;"MARTINI bead: P2_Na";;;;;;;-0.24;;-5.09;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM409449;MM409449;C#CC1=CC=C(OC=C)C1;XGUPROPBJJHQHA-UHFFFAOYSA-N;132.16;1.99;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC5_SC5";;;;;;;2.41;;0.64;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM409450;MM409450;Nn1cc(F)ccc1=NO;OCFSERXEWLXTRX-UHFFFAOYSA-N;143.12;-0.37;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNa_SP1";;;;;;;0.04;;-2.54;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM409451;MM409451;O=CN(C=O)CC#CCO;UXDYICQFWRULLM-UHFFFAOYSA-N;141.13;-1.4;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda_P4";;;;;;;-1.19;;-4.91;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM409452;MM409452;CC1NC1C=C(C#N)C#N;LBEGEHJCAWRZRW-UHFFFAOYSA-N;133.15;0.32;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP1_N0";;;;;;;0.34;;-1.53;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM409453;MM409453;C#Cc1nnn(C=C)c1F;IRQRQFPWZFALDU-UHFFFAOYSA-N;137.12;0.5;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP1_SNa";;;;;;;0.04;;-2.54;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM409454;MM409454;C=CC(CF)C(=O)ON=C;BJOPEQDDIXDISH-UHFFFAOYSA-N;145.13;0.92;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_P1";;;;;;;0.81;;-0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM409455;MM409455;C#CC1=NN=C(CC=C)C1;ZQEGZLXAOBNRGK-UHFFFAOYSA-N;132.17;1.4;;;;;DOPC;MDCG;27;0;"MARTINI bead: SN0_SN0";;;;;;;1.47;;-0.05;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM409456;MM409456;CN=c1ccc(C)cn1O;KRQBGILCXXFRQL-UHFFFAOYSA-N;138.17;0.56;;;;;DOPC;MDCG;27;1;"MARTINI bead: SNda_SN0";;;;;;;1.17;;-3.65;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM409457;MM409457;O=CN(C=O)CC#CCF;VZLDWUIPAPOQMU-UHFFFAOYSA-N;143.12;-0.43;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_P2";;;;;;;-0.24;;-3.24;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM409458;MM409458;C=CC(C=C)=CC1OC1C;PTOWTBZDSOHRIQ-UHFFFAOYSA-N;136.19;2.07;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNa_C2";;;;;;;2.83;;0.35;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM409459;MM409459;C#Cc1nnn(N=C)c1C;CZAKGNKFZZUAEH-UHFFFAOYSA-N;134.14;0.03;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP1_SP1";;;;;;;-0.79;;-3.13;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM409460;MM409460;C#CC1=NN=C(CC#N)C1;KTPIVCWDJACKFL-UHFFFAOYSA-N;131.14;0.73;;;;;DOPC;MDCG;27;0;"MARTINI bead: SN0_SN0";;;;;;;1.47;;-0.05;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM409461;MM409461;C=COC(=C)C(C#N)NC;ZLYHWGHEWWNSKA-UHFFFAOYSA-N;138.17;0.77;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_C5";;;;;;;0.54;;-1.09;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM409462;MM409462;C=NN(C=N)CC#CCC;HHVIKXMURIYOKF-UHFFFAOYSA-N;137.19;0.92;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_P2";;;;;;;0.54;;-1.09;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM409463;MM409463;Cc1ccc(=NO)n(O)c1;ZQJIPRHXGDHNBT-UHFFFAOYSA-N;140.14;0.32;;;;;DOPC;MDCG;27;0;"MARTINI bead: SN0_SP1";;;;;;;0.34;;-1.53;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM409464;MM409464;C=CC(C=O)=CC1OC1C;USVXKXLYYGTNKM-UHFFFAOYSA-N;138.17;1.09;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNa_Na";;;;;;;0.87;;-2.22;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM409465;MM409465;C=NNC=NC(=CF)CF;OMOQHJQEYIYANL-UHFFFAOYSA-N;147.13;1;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_P2";;;;;;;0.54;;-1.09;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM409466;MM409466;CC(C)(O)CC1CC1(C)C;MOTPGINQWYMDKW-UHFFFAOYSA-N;142.24;2.19;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda_SC4";;;;;;;2.2;;0.49;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM409467;MM409467;CC1=CC(=NN)OC1=O;KKNZFUWOIJLEAY-UHFFFAOYSA-N;126.12;-0.24;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNd_SNa";;;;;;;0.87;;-1.88;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM409468;MM409468;CN=c1ccc(N)cn1O;AANHRCQOHLNSQU-UHFFFAOYSA-N;139.16;-0.16;;;;;DOPC;MDCG;27;1;"MARTINI bead: SNda_SNd";;;;;;;0.87;;-3.86;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM409469;MM409469;C=NN(C=O)CC#CCC;UIRDSYNDGHUJOM-UHFFFAOYSA-N;138.17;0.47;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_P2";;;;;;;0.54;;-1.09;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM409470;MM409470;C=CC(C#N)=CC1OC1C;FPLQXDASHCIVDC-UHFFFAOYSA-N;135.17;1.41;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNa_C5";;;;;;;1.64;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM409471;MM409471;O=c1nn[nH]n(O)c1=O;FEJZTNXEONUCON-UHFFFAOYSA-N;130.06;-2.44;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP2_SP3";;;;;;;-2.2;;-9.63;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM409472;MM409472;C#CC1=NN=C(OC=C)C1;AISKUTFMHDSKRD-UHFFFAOYSA-N;134.14;0.94;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNa_SN0";;;;;;;1.17;;-1.18;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM409473;MM409473;C=CC(NC)C(=O)ON=C;BCALGPYYGNXMHS-UHFFFAOYSA-N;142.16;-0.08;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nd_P1";;;;;;;0.04;;-2.63;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM409474;MM409474;Nc1ccc(=NO)n(O)c1;XKWVIKAJJXZEEP-UHFFFAOYSA-N;141.13;-0.4;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNd_SP1";;;;;;;0.04;;-2.63;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM409475;MM409475;C=NN(C=O)CC#CCN;SNIYKAWKKVNYAU-UHFFFAOYSA-N;139.16;-0.98;;;;;DOPC;MDCG;27;1;"MARTINI bead: P2_P2";;;;;;;-1.34;;-5.46;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM409476;MM409476;CC1OC1C=C(C=O)C=O;GKXWNQSZCONQNI-UHFFFAOYSA-N;140.14;0.1;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNa_Na";;;;;;;0.87;;-2.22;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM409477;MM409477;C#CC1C=CC(CC)=C1C;NUBPAVUATKPHCE-UHFFFAOYSA-N;132.21;2.53;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC1_SN0";;;;;;;3.21;;0.46;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM409478;MM409478;C#Cc1ccc(CC=C)[nH]1;CQUPWKUXKOLKCY-UHFFFAOYSA-N;131.18;1.72;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC5_SNd";;;;;;;1.64;;0.02;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM409479;MM409479;C=CC(OC)C(=C)OC=O;CMPHPQHWCAZZFK-UHFFFAOYSA-N;142.15;0.87;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_Na";;;;;;;0.87;;-2.22;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM409480;MM409480;CC=NN(C=O)C=NN;SLKYHVXOTLHOGD-UHFFFAOYSA-N;128.14;-0.65;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_P1";;;;;;;-0.79;;-3.13;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM409481;MM409481;C=CC#CCC(C=C)C=C;DSXZHCGERDKOGY-UHFFFAOYSA-N;132.21;2.55;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4_C2";;;;;;;4.16;;0.44;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM409482;MM409482;C#CC1C=CC(CN)=C1C;OFYHENHHMOUNGI-UHFFFAOYSA-N;133.19;1.08;;;;;DOPC;MDCG;27;1;"MARTINI bead: SNd_SN0";;;;;;;1.17;;-3.24;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM409483;MM409483;CC1OC1C=C(C#N)C=O;NTJSQBHMMHKJBG-UHFFFAOYSA-N;137.14;0.42;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNa_Na";;;;;;;0.87;;-2.22;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM409484;MM409484;C#Cc1ccc(CC#N)[nH]1;KIRUOYJBARFXKY-UHFFFAOYSA-N;130.15;1.06;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNd_SN0";;;;;;;1.17;;-1.04;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM409485;MM409485;C=COC(=C)C(C=O)OC;MAXZOOQKBDGHSF-UHFFFAOYSA-N;142.15;0.87;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_C5";;;;;;;0.81;;-0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM409486;MM409486;C=NN(C=NN)C(C)=O;SBTDXFUKMXFNPM-UHFFFAOYSA-N;128.14;-0.65;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_P1";;;;;;;-0.79;;-3.13;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM409487;MM409487;C=CC(C=C)CC#CC=O;AUIYWJAVFKLKJF-UHFFFAOYSA-N;134.18;1.57;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1_P1";;;;;;;2.08;;0.48;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM409488;MM409488;C#CC1C=CC(CO)=C1C;RBKIOXLVKPBTJC-UHFFFAOYSA-N;134.18;1.11;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNda_SN0";;;;;;;1.17;;-1.13;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM409489;MM409489;CC1OC1C=C(C#N)C#N;XLPCQZDRCAHBJN-UHFFFAOYSA-N;134.14;0.75;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNa_N0";;;;;;;1.17;;-1.18;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM409490;MM409490;C#Cc1ccc(NC=N)[nH]1;LPMRUFSGBNFDAB-UHFFFAOYSA-N;133.15;1.01;;;;;DOPC;MDCG;27;1;"MARTINI bead: SP1_SNd";;;;;;;0.04;;-5.31;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM409491;MM409491;C=COC(=C)C(C#N)OC;XFPAJNKOJUZKEW-UHFFFAOYSA-N;139.15;1.2;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_C5";;;;;;;0.81;;-0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM409492;MM409492;CN=c1ncc(C)cn1C;CBILFYRQAAEEAH-UHFFFAOYSA-N;137.19;0.26;;;;;DOPC;MDCG;27;1;"MARTINI bead: SNa_SP1";;;;;;;0.04;;-7.83;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM409493;MM409493;C=CC(C=C)CC#CC#N;GSHSLQORSMOQOP-UHFFFAOYSA-N;131.18;1.89;;;;;DOPC;MDCG;27;0;"MARTINI bead: C2_N0";;;;;;;3.13;;0.3;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM409494;MM409494;C#CC1C=CC(CF)=C1C;LXEPXFWESIHSMD-UHFFFAOYSA-N;136.17;2.09;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC4_SN0";;;;;;;2.5;;0.44;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM409495;MM409495;C=COC(=O)C(C=C)OC;ZVBSKVBGDUFRBY-UHFFFAOYSA-N;142.15;0.87;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_Na";;;;;;;0.87;;-2.22;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM409496;MM409496;C#Cc1ccc(OC=C)[nH]1;KLEZEPLHURHLCS-UHFFFAOYSA-N;133.15;1.52;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNa_SNd";;;;;;;0.87;;-1.88;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM409497;MM409497;C=CC(C=C)=CC1CN1C;HRRWMUJQKDIHKB-UHFFFAOYSA-N;135.21;1.6;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP1_C2";;;;;;;2;;0.33;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM409498;MM409498;Cc1cnc(=NN)n(C)c1;HTFSULUBTVPSIN-UHFFFAOYSA-N;138.17;-0.5;;;;;DOPC;MDCG;27;1;"MARTINI bead: SP1_SP1";;;;;;;-0.79;;-6.69;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM409499;MM409499;C=CC#CCC(C=C)C=O;LTFJJYGQYRWUJF-UHFFFAOYSA-N;134.18;1.57;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4_Na";;;;;;;2.2;;0.34;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM409500;MM409500;C#CC1C=CC(OC)=C1C;ZDGBNMASDPRACU-UHFFFAOYSA-N;134.18;1.73;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC4_SN0";;;;;;;2.5;;0.44;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM409501;MM409501;C=COC(=O)C(C#N)OC;BSSDPCOWAGUTGF-UHFFFAOYSA-N;141.13;0.21;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_N0";;;;;;;0.34;;-1.53;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM409502;MM409502;CC1=COC(=NN)C1C;VKQXELNYDLSHFJ-UHFFFAOYSA-N;126.16;0.83;;;;;DOPC;MDCG;27;0;"MARTINI bead: SN0_SNda";;;;;;;1.17;;-1.13;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM409503;MM409503;C=CC(C=O)=CC1CN1C;XRWJZNSKBPXPSV-UHFFFAOYSA-N;137.18;0.61;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP1_Na";;;;;;;0.04;;-2.54;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM409504;MM409504;C=CC#CCC(C#N)C=C;CLHRTZJLXACMTG-UHFFFAOYSA-N;131.18;1.89;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4_N0";;;;;;;2.5;;0.44;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM409505;MM409505;CN=c1ncc(N)cn1C;ZFTFBAFMLXBXOM-UHFFFAOYSA-N;138.17;-0.47;;;;;DOPC;MDCG;27;1;"MARTINI bead: SNa_SP1";;;;;;;0.04;;-7.36;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM409506;MM409506;C#CC1C=CC(C=C)=C1C;PBIFPSWAHQTBIT-UHFFFAOYSA-N;130.19;2.31;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC3_SN0";;;;;;;2.87;;0.37;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM409507;MM409507;CCN(C=N)C(=N)CC=O;OZORIIOMBRVNJU-UHFFFAOYSA-N;141.17;0.48;;;;;DOPC;MDCG;27;1;"MARTINI bead: P2_Na";;;;;;;-0.24;;-4.85;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM409508;MM409508;C=CC(C#N)=CC1CN1C;WEFGOUHTSARXJE-UHFFFAOYSA-N;134.18;0.94;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP1_C5";;;;;;;0.81;;-0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM409509;MM409509;C#Cc1nc(CC#N)c[nH]1;XGROCTUVGJFMSJ-UHFFFAOYSA-N;131.14;0.46;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNd_SNda";;;;;;;0.87;;-1.92;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM409510;MM409510;C=CC(C=O)CC#CC=O;WUPACOZHDRUODP-UHFFFAOYSA-N;136.15;0.58;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_C5";;;;;;;1.64;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM409511;MM409511;Cn1cc(N)cnc1=NN;POFQQZGZXXRIHA-UHFFFAOYSA-N;139.16;-1.22;;;;;DOPC;MDCG;27;1;"MARTINI bead: SP1_SP1";;;;;;;-0.79;;-6.09;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM409512;MM409512;C#CC1C=CC(C=O)=C1C;OJOLXWLBCMQKQV-UHFFFAOYSA-N;132.16;1.32;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNa_SN0";;;;;;;1.17;;-1.18;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM409513;MM409513;C=NN(CC)C(=O)CC=O;MPLNPUDOEGURBT-UHFFFAOYSA-N;142.16;0.04;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_P2";;;;;;;-0.24;;-3.24;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM409514;MM409514;CN1CC1C=C(C#N)C=O;UWZPOCMUHGFQLP-UHFFFAOYSA-N;136.15;-0.05;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP1_Na";;;;;;;0.04;;-2.54;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM409515;MM409515;C=C1C(C)=COC1=NN;LGZCLRXVXZHBPY-UHFFFAOYSA-N;124.14;0.75;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC5_SNda";;;;;;;1.64;;0.05;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM409516;MM409516;C=CC(C=O)CC#CC#N;FWHNZADDUGFAFR-UHFFFAOYSA-N;133.15;0.9;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_N0";;;;;;;1.17;;-1.18;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM409517;MM409517;Cn1cc(O)cnc1=NN;STFHDIIGCAMVLE-UHFFFAOYSA-N;140.15;-1.1;;;;;DOPC;MDCG;27;1;"MARTINI bead: SP1_SP1";;;;;;;-0.79;;-4.36;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM409518;MM409518;C#CC1C=CC(C#N)=C1C;UDLHZSZIWVENFP-UHFFFAOYSA-N;129.16;1.65;;;;;DOPC;MDCG;27;0;"MARTINI bead: SN0_SN0";;;;;;;1.47;;-0.05;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM409519;MM409519;C=NN(CC)C(=O)CC#N;BCAQZJAHPOHIMW-UHFFFAOYSA-N;139.16;0.36;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_Na";;;;;;;0.04;;-2.54;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM409520;MM409520;C#Cc1nc(OC=C)c[nH]1;OUKOLHWQTQLXID-UHFFFAOYSA-N;134.14;0.91;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNda_SNd";;;;;;;0.87;;-1.92;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM409521;MM409521;CN1CC1C=C(C#N)C#N;LHBZKHIQOFSKHG-UHFFFAOYSA-N;133.15;0.27;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP1_N0";;;;;;;0.34;;-1.53;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM409522;MM409522;C=CC(C#N)CC#CC=O;WAQCGSCSHGNUND-UHFFFAOYSA-N;133.15;0.9;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_P1";;;;;;;0.81;;-0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM409523;MM409523;Cn1cc(O)cnc1=NO;RXUGIJBMPSRHLO-UHFFFAOYSA-N;141.13;-0.58;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP1_SP1";;;;;;;-0.79;;-3.13;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM409524;MM409524;C=C(CC#N)N(C=N)NC;VKTKXUGLVZPMBM-UHFFFAOYSA-N;138.17;0.46;;;;;DOPC;MDCG;27;1;"MARTINI bead: P4_N0";;;;;;;-0.88;;-5.97;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM409525;MM409525;CC1CC1COC=NN;NLYNEQFFIMQJKI-UHFFFAOYSA-N;128.18;0.56;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC5_P1";;;;;;;0.81;;-0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM409526;MM409526;C=NNC(N)=C(C=O)CC;LQHXYXXANGIKRR-UHFFFAOYSA-N;141.17;-0.03;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_C5";;;;;;;0.54;;-1.09;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM409527;MM409527;C=CC(C=O)=CN1CC1C;ZTIVNJXMGQUQHQ-UHFFFAOYSA-N;137.18;0.96;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP1_Na";;;;;;;0.04;;-2.54;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM409528;MM409528;C=CC#CCC(C#N)C#N;AQCCLTYSEJPMJC-UHFFFAOYSA-N;130.15;1.23;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4_P2";;;;;;;1.09;;-0.37;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM409529;MM409529;CN=c1ncc(F)cn1C;JVNMGCQKKNSPFI-UHFFFAOYSA-N;141.15;0.09;;;;;DOPC;MDCG;27;1;"MARTINI bead: SNa_SNa";;;;;;;0.87;;-4.45;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM409530;MM409530;CNN=C(OC)C(C)(C)C;MTVYVOQZSKNRGI-UHFFFAOYSA-N;144.22;1.21;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_C3";;;;;;;1.74;;0.29;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM409531;MM409531;C#CC1=C(C)C(C#C)C=C1;NWOMYAJXKQRZKT-UHFFFAOYSA-N;128.17;1.76;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC5_SN0";;;;;;;1.94;;0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM409532;MM409532;NN=COCC1CC1F;BGPHYJSVQAZUJY-UHFFFAOYSA-N;132.14;0.26;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_SNa";;;;;;;0.04;;-2.54;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM409533;MM409533;C=CC(C#N)=CN1CC1C;OUTZKRONDDUOEL-UHFFFAOYSA-N;134.18;1.28;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP1_C5";;;;;;;0.81;;-0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM409534;MM409534;O=CC#CCC(C=O)C=O;ZWYFFHIIDJRURP-UHFFFAOYSA-N;138.12;-0.41;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_Na";;;;;;;1.64;;-0.05;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM409535;MM409535;CN=c1ncc(C)cn1N;ZOTOXEYLZUYMRQ-UHFFFAOYSA-N;138.17;-0.56;;;;;DOPC;MDCG;27;1;"MARTINI bead: SP1_SP1";;;;;;;-0.79;;-6.45;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM409536;MM409536;C=CCC(=O)N(C=C)NC;HDJKFIJMAYLLFS-UHFFFAOYSA-N;140.19;0.67;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_N0";;;;;;;0.06;;-2.21;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM409537;MM409537;C#Cc1n[nH]c(CC=C)n1;STSAVOXVIBJSBK-UHFFFAOYSA-N;133.15;0.51;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNd_SP1";;;;;;;0.04;;-2.63;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM409538;MM409538;CC=C1C=CC(CC)=C1C;ZTLIZUBXMGMUKV-UHFFFAOYSA-N;134.22;3.23;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC1_SC4";;;;;;;4.24;;0.42;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM409539;MM409539;CC1CN1C=C(C=O)C=O;BIPQMTUSJZEMIV-UHFFFAOYSA-N;139.15;-0.03;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP1_Na";;;;;;;0.04;;-2.54;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM409540;MM409540;N#CC(C#N)CC#CC=O;WBZZWYNLGQPRJG-UHFFFAOYSA-N;132.12;0.24;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_P2";;;;;;;0.54;;-1.09;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM409541;MM409541;Cc1cnc(=NN)n(N)c1;CKEGCDSIWAOALH-UHFFFAOYSA-N;139.16;-1.32;;;;;DOPC;MDCG;27;1;"MARTINI bead: SP1_SP2";;;;;;;-1.06;;-5.14;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM409542;MM409542;CNN(C=N)C(=O)CC#N;XSFXYLNBQCYXEM-UHFFFAOYSA-N;140.15;-0.53;;;;;DOPC;MDCG;27;0;"MARTINI bead: P4_Na";;;;;;;-1.19;;-4.76;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM409543;MM409543;C#Cc1nc(NC=N)n[nH]1;DBRHVTWZVDUKFW-UHFFFAOYSA-N;135.13;-0.2;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP2_SP1";;;;;;;-1.06;;-3.82;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM409544;MM409544;CC=C1C=CC(CN)=C1C;FCYQTFYSQAAXET-UHFFFAOYSA-N;135.21;1.78;;;;;DOPC;MDCG;27;1;"MARTINI bead: SC4_SNd";;;;;;;2.2;;-1.61;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM409545;MM409545;C=CN(C=N)CC#CC#N;WXWVELCYBSVPFY-UHFFFAOYSA-N;133.15;0.57;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1_N0";;;;;;;0.34;;-3.84;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM409546;MM409546;Cc1cnc(=NO)n(N)c1;PQCBWKUGMRKWOJ-UHFFFAOYSA-N;140.15;-0.8;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP1_SP2";;;;;;;-1.06;;-3.82;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM409547;MM409547;CC1CN1C=C(C#N)C=O;LLWUYBRTVZFNGH-UHFFFAOYSA-N;136.15;0.3;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP1_Na";;;;;;;0.04;;-2.54;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM409548;MM409548;C=C(CC#N)N(C=O)OC;YLURQKJKJYPSIY-UHFFFAOYSA-N;140.14;0.43;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_N0";;;;;;;0.06;;-2.21;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM409549;MM409549;C#Cc1ccc(CC=C)o1;ZWXVJJZLDSXHTC-UHFFFAOYSA-N;132.16;1.99;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC5_SN0";;;;;;;1.94;;0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM409550;MM409550;CC=C1C=CC(CF)=C1C;JPWYYCOCOSCIOQ-UHFFFAOYSA-N;138.19;2.79;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC4_SC4";;;;;;;3.53;;0.53;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM409551;MM409551;C=CC#CCN(C=C)C=O;PXTWWMYAQOWWGN-UHFFFAOYSA-N;135.17;0.78;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4_P2";;;;;;;1.09;;-0.38;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM409552;MM409552;CN=c1ncc(N)cn1N;FNUUBYPKNIKKQU-UHFFFAOYSA-N;139.16;-1.29;;;;;DOPC;MDCG;27;1;"MARTINI bead: SP1_SP1";;;;;;;-0.79;;-5.86;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM409553;MM409553;CC1CN1C=C(C#N)C#N;JMOPOZRXGAGATK-UHFFFAOYSA-N;133.15;0.62;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP1_N0";;;;;;;0.34;;-1.53;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM409554;MM409554;CON(C=O)C(=N)CC#N;WKFVEUVLDXZUKT-UHFFFAOYSA-N;141.13;-0.1;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_P1";;;;;;;-1.06;;-3.82;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM409555;MM409555;C#Cc1ccc(CC#N)o1;FEDBGPITIFRUSB-UHFFFAOYSA-N;131.13;1.33;;;;;DOPC;MDCG;27;0;"MARTINI bead: SN0_SN0";;;;;;;1.47;;-0.05;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM409556;MM409556;C=CC#CCN(C=N)C=O;ZRPINYVENHGFLW-UHFFFAOYSA-N;136.15;0.24;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4_P4";;;;;;;0.15;;-2.18;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM409557;MM409557;CCC1=C(C)C(=CF)C=C1;RYTWMAQKUGWCLC-UHFFFAOYSA-N;138.19;3.14;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC1_SC5";;;;;;;3.68;;0.46;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM409558;MM409558;C=CC(C=C)=NN1CC1C;ZYJUDVCJEHGRRF-UHFFFAOYSA-N;136.2;1.42;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP1_N0";;;;;;;0.34;;-1.53;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM409559;MM409559;Nc1cnc(=NO)n(N)c1;BVQILLFZGUEDOS-UHFFFAOYSA-N;141.13;-1.53;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP1_SP2";;;;;;;-1.06;;-3.82;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM409560;MM409560;C#Cc1ccc(NC=N)o1;SJRCZNXVRXODKO-UHFFFAOYSA-N;134.14;1.28;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNd_SN0";;;;;;;1.17;;-1.04;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM409561;MM409561;CON(C=O)C(=O)CC=O;PBIFCEXAYZWQQK-UHFFFAOYSA-N;145.11;-0.88;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_Na";;;;;;;-0.24;;-3.24;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM409562;MM409562;N=CN(C=O)CC#CC=O;OJQSESMRMWMZJM-UHFFFAOYSA-N;138.13;-0.75;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_P4";;;;;;;-0.41;;-2.78;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM409563;MM409563;CN=c1ncc(O)cn1N;LUFSPKHWWFVDFH-UHFFFAOYSA-N;140.15;-1.17;;;;;DOPC;MDCG;27;1;"MARTINI bead: SP1_SP1";;;;;;;-0.79;;-4.14;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM409564;MM409564;CC1=C(CN)C=CC1=CF;FSMGBKCFJLXVAZ-UHFFFAOYSA-N;139.17;1.68;;;;;DOPC;MDCG;27;1;"MARTINI bead: SNd_SC5";;;;;;;1.64;;-2.08;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM409565;MM409565;C=CC(C#N)=NN1CC1C;MTRALSCMPSOLFT-UHFFFAOYSA-N;135.17;0.76;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP1_P1";;;;;;;-0.79;;-3.13;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM409566;MM409566;C#Cc1ccc(OC=C)o1;AOKNUNSUENVCGO-UHFFFAOYSA-N;134.13;1.78;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC5_SN0";;;;;;;1.94;;0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM409567;MM409567;C=CNC(=N)N(CC)N=C;NXTKYKBMSRLEEF-UHFFFAOYSA-N;140.19;0.59;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1_P1";;;;;;;-0.79;;-5.73;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM409568;MM409568;Nn1cc(O)cnc1=NO;NPRHXTBKMXIGIG-UHFFFAOYSA-N;142.12;-1.41;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP1_SP2";;;;;;;-1.06;;-3.82;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM409569;MM409569;O=CC#CCN(C=O)C=O;AXEWNXUEISJXCH-UHFFFAOYSA-N;139.11;-1.2;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_P4";;;;;;;-0.41;;-2.78;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM409570;MM409570;CC1CN1N=C(C=O)C=O;FQJVFDOLZQTKLV-UHFFFAOYSA-N;140.14;-0.56;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP1_P2";;;;;;;-1.06;;-3.82;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM409571;MM409571;C#CC1(C(=N)NN=C)CN1;SDAIPLAPWDKAHV-UHFFFAOYSA-N;136.16;-0.86;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_SP3";;;;;;;-2.2;;-5.19;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM409572;MM409572;C=CNC(=N)N(C=N)NC;GMWCZXCCMFKYRU-UHFFFAOYSA-N;141.18;-0.3;;;;;DOPC;MDCG;27;1;"MARTINI bead: P4_P1";;;;;;;-2.01;;-8.42;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM409573;MM409573;C#Cc1ncc(CC=C)o1;HYNQKICNDACXFU-UHFFFAOYSA-N;133.15;1.38;;;;;DOPC;MDCG;27;0;"MARTINI bead: SN0_SNa";;;;;;;1.17;;-1.18;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM409574;MM409574;C=NN(C=N)CC#CC#N;HLMBSBLPQHYOKJ-UHFFFAOYSA-N;134.14;0.04;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_N0";;;;;;;0.06;;-2.21;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM409575;MM409575;O=CC1NC1CC1CO1;DADUYRIGBNJTCR-UHFFFAOYSA-N;127.14;-0.69;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP2_SNa";;;;;;;-0.24;;-3.24;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM409576;MM409576;CC1CN1N=C(C#N)C#N;BBGMKFQTHIXDRE-UHFFFAOYSA-N;134.14;0.09;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP1_P1";;;;;;;-0.79;;-3.13;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM409577;MM409577;CCC1=C(C)C(=NN)C=C1;ALNOGWLDXQWCGP-UHFFFAOYSA-N;136.2;1.6;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC1_SNd";;;;;;;2.91;;0.63;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM409578;MM409578;CNN(C=N)C(=N)NC=N;VXBJYAAXHGDEKD-UHFFFAOYSA-N;142.17;-0.84;;;;;DOPC;MDCG;27;1;"MARTINI bead: P2_P4";;;;;;;-2.29;;-8.38;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM409579;MM409579;C#Cc1ncc(CC#N)o1;ZBHNRPNYDGWNDJ-UHFFFAOYSA-N;132.12;0.72;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNa_SP1";;;;;;;0.04;;-2.54;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM409580;MM409580;C#CC#CCC(C=C)C=C;ABGSMMDLFSBBBJ-UHFFFAOYSA-N;130.19;2;;;;;DOPC;MDCG;27;0;"MARTINI bead: C2_C4";;;;;;;4.16;;0.44;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM409581;MM409581;CN=c1ncc(C)cn1O;RJAIMXJFPSEXMN-UHFFFAOYSA-N;139.16;-0.04;;;;;DOPC;MDCG;27;1;"MARTINI bead: SP1_SP1";;;;;;;-0.79;;-6;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM409583;MM409583;C#CC(C=C)=CC1CC1C;KTEUYWRMBOPGOX-UHFFFAOYSA-N;132.21;2.39;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC5_C4";;;;;;;2.97;;0.45;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM409582;MM409582;CCC1=C(C)C(=NO)C=C1;JILXOVDAXLWGFL-UHFFFAOYSA-N;137.18;2.11;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC1_SNda";;;;;;;2.91;;0.57;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM409584;MM409584;C#Cc1ncc(NC=N)o1;CTDRCBZLHWOETR-UHFFFAOYSA-N;135.13;0.67;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP2_SNa";;;;;;;-0.24;;-3.24;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM409585;MM409585;CNN(C=N)C(=N)NC=O;UULTXPUOZCMCON-UHFFFAOYSA-N;143.15;-1.29;;;;;DOPC;MDCG;27;1;"MARTINI bead: P4_P3";;;;;;;-3.15;;-7.92;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM409586;MM409586;C#CC#CCC(C=C)C=O;QKZZWNNBTOMFDQ-UHFFFAOYSA-N;132.16;1.01;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_C4";;;;;;;2.2;;0.34;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM409587;MM409587;CC1=C(CN)C=CC1=NO;UIGQWMCIIGQNHM-UHFFFAOYSA-N;138.17;0.66;;;;;DOPC;MDCG;27;1;"MARTINI bead: SNd_SNda";;;;;;;0.87;;-4.48;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM409588;MM409588;Cc1cnc(=NO)n(O)c1;KIKPGCNGBWSNMT-UHFFFAOYSA-N;141.13;-0.28;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP1_SP3";;;;;;;-1.93;;-4.72;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM409589;MM409589;C#CC(C=O)=CC1CC1C;GPMVHGFMRHESHC-UHFFFAOYSA-N;134.18;1.4;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC5_Na";;;;;;;1.64;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM409590;MM409590;CNN(C=O)C(=N)NC=N;CFHBNNJDZRBWAA-UHFFFAOYSA-N;143.15;-1.29;;;;;DOPC;MDCG;27;1;"MARTINI bead: P4_P4";;;;;;;-3.24;;-9.04;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM409591;MM409591;C#Cc1cnc(CC=C)o1;HHQFTVQCZNUXJC-UHFFFAOYSA-N;133.15;1.38;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNa_SN0";;;;;;;1.17;;-1.18;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM409592;MM409592;C#CC#CCC(C#N)C=C;JZZCVSKYROHTJN-UHFFFAOYSA-N;129.16;1.34;;;;;DOPC;MDCG;27;0;"MARTINI bead: N0_C4";;;;;;;2.5;;0.44;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM409593;MM409593;CN=c1ncc(N)cn1O;JOIYHHSHHTXVAW-UHFFFAOYSA-N;140.15;-0.77;;;;;DOPC;MDCG;27;1;"MARTINI bead: SP1_SP1";;;;;;;-0.79;;-5.41;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM409594;MM409594;CC1=C(CF)C=CC1=NO;OWAGQQYFXMHSAS-UHFFFAOYSA-N;141.15;1.67;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC4_SNda";;;;;;;2.2;;0.5;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM409595;MM409595;C#CC(C#N)=CC1CC1C;CDZIKRIDMGGTHT-UHFFFAOYSA-N;131.18;1.73;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC5_N0";;;;;;;1.94;;0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM409596;MM409596;CC=CCCCC(C)(C)O;PCITYCRXSBKQDR-UHFFFAOYSA-N;142.24;2.5;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1_Nda";;;;;;;2.91;;0.57;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM409597;MM409597;C#Cc1cnc(CC#N)o1;KANYXCDLOLQXTE-UHFFFAOYSA-N;132.12;0.72;;;;;DOPC;MDCG;27;0;"MARTINI bead: SN0_SNa";;;;;;;1.17;;-1.18;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM409598;MM409598;C#CC#CCC(C=O)C=O;KKXPUMGFQQHHFL-UHFFFAOYSA-N;134.13;0.03;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_N0";;;;;;;1.17;;-1.18;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM409599;MM409599;COC1=C(C)C(=NN)C=C1;PNXSQKKCKZAGLQ-UHFFFAOYSA-N;138.17;0.79;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC4_SNd";;;;;;;2.2;;0.32;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM409600;MM409600;Nc1cnc(=NO)n(O)c1;CZLBKIDQMNUHNS-UHFFFAOYSA-N;142.12;-1.01;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP1_SP3";;;;;;;-1.93;;-4.72;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM409601;MM409601;C#CC(C=C)=CC1CC1N;FPMHCXYEUWOHCW-UHFFFAOYSA-N;133.19;1.08;;;;;DOPC;MDCG;27;1;"MARTINI bead: SP1_C4";;;;;;;1.37;;-2.54;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM409602;MM409602;CC(C)(O)CCCC=NN;VOCDXBBEOLXQNS-UHFFFAOYSA-N;144.22;0.87;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda_Nd";;;;;;;0.87;;-1.92;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM409603;MM409603;C#Cc1nnc(CC=C)o1;AGGBFRQXFBBRSW-UHFFFAOYSA-N;134.14;0.78;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNa_SP1";;;;;;;0.04;;-2.54;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM409604;MM409604;C#CC#CCC(C#N)C=O;ADIAVACWORRTSA-UHFFFAOYSA-N;131.13;0.35;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_N0";;;;;;;1.17;;-1.18;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM409605;MM409605;NN=c1ncc(O)cn1O;ZRKYRIQDGBMLSI-UHFFFAOYSA-N;142.12;-1.4;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP2_SP1";;;;;;;-1.06;;-3.82;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM409606;MM409606;COC1=C(C)C(=NO)C=C1;QTFFWWTYZCZCAE-UHFFFAOYSA-N;139.15;1.31;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC4_SNda";;;;;;;2.2;;0.5;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM409607;MM409607;C#CC(=NN)OC=C(C)F;UJEHACKIASVVHJ-UHFFFAOYSA-N;142.13;0.74;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_P2";;;;;;;0.54;;-1.09;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM409608;MM409608;CNN=COCC(C)(F)F;JLBBXGNIBBEHFU-UHFFFAOYSA-N;152.14;0.82;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_C5";;;;;;;0.54;;-1.09;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM409609;MM409609;C#Cc1nnc(CC#N)o1;YOQVODUVNQLZTE-UHFFFAOYSA-N;133.11;0.12;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP1_SP1";;;;;;;-0.79;;-3.13;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM409610;MM409610;C#CC#CCC(C#N)C#N;HUFGZXLGGJPYTO-UHFFFAOYSA-N;128.13;0.68;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4_P2";;;;;;;1.09;;-0.37;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM409611;MM409611;CC#CC(C)(C)C(C)(C)O;PDOBAIPTOXLEKN-UHFFFAOYSA-N;140.23;1.81;;;;;DOPC;MDCG;27;0;"MARTINI bead: C2_Nda";;;;;;;2.83;;0.57;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM409612;MM409612;C=Cn1nnc(=O)c(N)n1;CUEPMWVAMFQVPG-UHFFFAOYSA-N;139.12;-1.28;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP2_SP3";;;;;;;-2.2;;-5.19;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM409613;MM409613;C#CC(C#N)=CC1CC1O;ILXQXVFXPCBQTD-UHFFFAOYSA-N;133.15;0.45;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP1_N0";;;;;;;0.34;;-1.53;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM409614;MM409614;C#CCC1=CC=C(C#C)C1;KMNARKBNKPARJH-UHFFFAOYSA-N;128.17;1.9;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC4_SC5";;;;;;;2.97;;0.45;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM409615;MM409615;CC1C(C)C1CC(C)(C)O;XFOCPHOWQQYBEW-UHFFFAOYSA-N;142.24;2.05;;;;;DOPC;MDCG;27;0;"MARTINI bead: SN0_Nda";;;;;;;1.17;;-1.13;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM409616;MM409616;C#CC#CCN(C=C)C=N;AAGBMSFVDOBWNS-UHFFFAOYSA-N;132.17;0.68;;;;;DOPC;MDCG;27;1;"MARTINI bead: P2_C4";;;;;;;1.09;;-2.64;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM409617;MM409617;C#CCN1CCC(=O)CC1;QFDTVCZEYDRQIQ-UHFFFAOYSA-N;137.18;0.28;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP2_SC5";;;;;;;0.54;;-1.09;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM409618;MM409618;CC1CC1(C)CC(C)(C)O;HOKVXOQSVXZKMV-UHFFFAOYSA-N;142.24;2.19;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC4_Nda";;;;;;;2.2;;0.49;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM409619;MM409619;C#CC(C=O)=CC1CC1F;KEUURNHOANTSNX-UHFFFAOYSA-N;138.14;1.1;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNa_Na";;;;;;;0.87;;-2.22;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM409620;MM409620;C#CC#CCN(C=C)C=O;VWGZXFSPOMAANY-UHFFFAOYSA-N;133.15;0.22;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_C4";;;;;;;1.09;;-0.38;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM409621;MM409621;C#CCC1=NN=C(C#C)C1;BUUPDMHZZHTUDF-UHFFFAOYSA-N;130.15;0.84;;;;;DOPC;MDCG;27;0;"MARTINI bead: SN0_SN0";;;;;;;1.47;;-0.05;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM409622;MM409622;C=NNC(=N)N(C=N)NC;CHDMQJYQZGVJQF-UHFFFAOYSA-N;142.17;-0.83;;;;;DOPC;MDCG;27;1;"MARTINI bead: P2_P2";;;;;;;-1.34;;-5.57;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM409623;MM409623;Cc1c(N=O)c[nH]c1CN;AGNOGTWRTXMLBR-UHFFFAOYSA-N;139.16;1.18;;;;;DOPC;MDCG;27;1;"MARTINI bead: SNd_SN0";;;;;;;1.17;;-2.34;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM409624;MM409624;Cc1cnc(=NO)n(C)n1;JBRNGPBYPPHZCJ-UHFFFAOYSA-N;140.15;-0.59;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP2_SP2";;;;;;;-1.34;;-4.31;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM409625;MM409625;C#CC(C#N)=CC1NC1C;MKSDJMNLZXJLDO-UHFFFAOYSA-N;132.17;0.43;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP1_N0";;;;;;;0.34;;-1.53;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM409626;MM409626;C#CCc1ccc(C#C)[nH]1;SNFYWHZITCDRJF-UHFFFAOYSA-N;129.16;1.17;;;;;DOPC;MDCG;27;0;"MARTINI bead: SN0_SNd";;;;;;;1.17;;-1.04;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM409627;MM409627;C#CC#CCN(C=O)C=O;AZSHXHDDTHXFOV-UHFFFAOYSA-N;135.12;-0.76;;;;;DOPC;MDCG;27;0;"MARTINI bead: P4_C4";;;;;;;0.15;;-2.18;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM409628;MM409628;C=C(NC=N)N(C=N)OC;BKJBNAPHXWCISM-UHFFFAOYSA-N;142.16;0.12;;;;;DOPC;MDCG;27;1;"MARTINI bead: P2_P1";;;;;;;-1.06;;-6.81;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM409629;MM409629;Cc1c(N=O)c[nH]c1CO;UCQHWTVZJOUEIH-UHFFFAOYSA-N;140.14;1.21;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNda_SN0";;;;;;;1.17;;-1.13;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM409630;MM409630;CN=c1ncc(F)nn1C;MJUOCZBLWSFWBB-UHFFFAOYSA-N;142.14;-0.52;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP2_SP1";;;;;;;-1.06;;-3.82;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM409631;MM409631;C#CC(C=C)=CC1OC1C;FQEMNAZSUUKYLJ-UHFFFAOYSA-N;134.18;1.52;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNa_C4";;;;;;;2.2;;0.34;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM409632;MM409632;C=C(NC=N)N(C=O)OC;VXIABUCTBRJYHV-UHFFFAOYSA-N;143.15;-0.33;;;;;DOPC;MDCG;27;1;"MARTINI bead: P2_P2";;;;;;;-1.34;;-6.99;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM409633;MM409633;C#CC(NC)C(F)=CF;QOQHMSNLHCAFBB-UHFFFAOYSA-N;131.13;0.99;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_C5";;;;;;;0.54;;-1.09;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM409634;MM409634;CCn1nc(NC)c(=O)o1;RRUOZBGCTZKGRE-UHFFFAOYSA-N;143.15;-0.1;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNda_SP2";;;;;;;-0.24;;-3.31;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM409635;MM409635;C#CC(C=C)CC#CCC;ICNUNCMIGNDGIO-UHFFFAOYSA-N;132.21;2.23;;;;;DOPC;MDCG;27;0;"MARTINI bead: C3_C5";;;;;;;3.34;;0.48;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM409636;MM409636;CCC1(CC(C)(C)O)CC1;XZCRYALQKQEUQT-UHFFFAOYSA-N;142.24;2.34;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC3_Nda";;;;;;;2.57;;0.44;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM409637;MM409637;C#CC(C=O)=CC1OC1C;VNQZOCPSWGGGED-UHFFFAOYSA-N;136.15;0.53;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNa_Na";;;;;;;0.87;;-2.22;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM409638;MM409638;CC=NNCC(C)(F)C#N;NDERNATXCVDURX-UHFFFAOYSA-N;143.17;0.83;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nd_Na";;;;;;;0.87;;-1.88;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM409639;MM409639;C=CC(=C)C(=NN)OC;KEOQVDBTYZNOIO-UHFFFAOYSA-N;126.16;0.65;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_C4";;;;;;;1.37;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM409640;MM409640;C#CC(C=C)CC#CCN;GOZYNNZGQHSSRK-UHFFFAOYSA-N;133.19;0.77;;;;;DOPC;MDCG;27;1;"MARTINI bead: P2_C4";;;;;;;1.09;;-1.84;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM409641;MM409641;CNC1=NN=C(OC)CC1;ZATZRQHNNJMJOY-UHFFFAOYSA-N;141.17;0.36;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNd_SNa";;;;;;;0.87;;-1.88;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM409642;MM409642;CN=c1ncc(C)nn1N;QDBLWLIXEARTMX-UHFFFAOYSA-N;139.16;-1.17;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP2_SP2";;;;;;;-1.34;;-4.31;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM409643;MM409643;C#CC(C#N)=CC1OC1C;HYGOZGVBZSDXQH-UHFFFAOYSA-N;133.15;0.86;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNa_N0";;;;;;;1.17;;-1.18;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM409644;MM409644;CON(C=N)C(=O)NC=N;KPWBYIMGPSUCPY-UHFFFAOYSA-N;144.13;-0.23;;;;;DOPC;MDCG;27;0;"MARTINI bead: P5_P2";;;;;;;-2.22;;-6.53;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM409645;MM409645;CC1C=CCC1(C)O;JEBGFHYKAXQFFQ-UHFFFAOYSA-N;112.17;1.33;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC4_SNda";;;;;;;2.2;;0.49;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM409646;MM409646;C#CCc1nc(C#C)n[nH]1;OYSZDAAKZAHZTL-UHFFFAOYSA-N;131.14;-0.04;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNda_SP1";;;;;;;0.04;;-2.73;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM409647;MM409647;CC(=O)CCON=C(C)C;XSRUMIWGLWKMLB-UHFFFAOYSA-N;143.19;1.38;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_C5";;;;;;;0.81;;-0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM409648;MM409648;C#CC(C=C)CC#CCO;JOSQRKLKUWODFO-UHFFFAOYSA-N;134.18;0.81;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_C4";;;;;;;1.09;;-0.38;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM409649;MM409649;C#CC(C=C)=CC1CN1C;XAHPHZTVUZHSKO-UHFFFAOYSA-N;133.19;1.05;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP1_C4";;;;;;;1.37;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM409650;MM409650;CON(C=N)C(=O)NC=O;UMINSCPLCDVBNF-UHFFFAOYSA-N;145.12;-0.68;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_P3";;;;;;;-2.2;;-5.19;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM409651;MM409651;Cc1cnc(=NO)n(N)n1;AZZCBUYLAKSGDN-UHFFFAOYSA-N;141.13;-1.41;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP2_SP3";;;;;;;-2.2;;-5.19;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM409652;MM409652;COc1[nH]cc(N=O)c1C;PVOHOUWICHTPBQ-UHFFFAOYSA-N;140.14;1.73;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNda_SN0";;;;;;;1.17;;-1.13;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM409653;MM409653;C#CCc1ccc(C#C)o1;XPADJVMZNVQSEH-UHFFFAOYSA-N;130.15;1.44;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC5_SN0";;;;;;;1.94;;0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM409654;MM409654;C#CC(C=C)CC#CCF;IZVVLNROJFCONA-UHFFFAOYSA-N;136.17;1.78;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_C4";;;;;;;2.2;;0.34;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM409655;MM409655;C#CC(C#N)=CC1CN1C;YRRAOQIHQBQJOS-UHFFFAOYSA-N;132.17;0.38;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP1_N0";;;;;;;0.34;;-1.53;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM409656;MM409656;CON(C=O)C(=O)NC=N;HCMFEMOAXMFBCC-UHFFFAOYSA-N;145.12;-0.68;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_P3";;;;;;;-2.2;;-5.19;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM409657;MM409657;C#CCc1cnc(C#C)o1;OKKBMPLFYGTMDU-UHFFFAOYSA-N;131.13;0.83;;;;;DOPC;MDCG;27;0;"MARTINI bead: SN0_SNa";;;;;;;1.17;;-1.18;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM409658;MM409658;C#CC(C=O)CC#CCC;AXBVPAAVHIYMFW-UHFFFAOYSA-N;134.18;1.24;;;;;DOPC;MDCG;27;0;"MARTINI bead: C3_Na";;;;;;;2.57;;0.45;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM409659;MM409659;CN=c1ncc(F)nn1N;SCYPTZKREFXTGZ-UHFFFAOYSA-N;143.13;-1.34;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP2_SP1";;;;;;;-1.06;;-3.82;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM409660;MM409660;CCC1(O)CC=CC1;OVPLKKMOQZYHEJ-UHFFFAOYSA-N;112.17;1.48;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC5_SC5";;;;;;;2.41;;0.64;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM409661;MM409661;C#CC(C#N)=CN1CC1C;DHZXBYHINBXWAS-UHFFFAOYSA-N;132.17;0.73;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP1_N0";;;;;;;0.34;;-1.53;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM409662;MM409662;CNN(C=N)C(=N)OC=O;KMDGUHZQTPDSEZ-UHFFFAOYSA-N;144.13;-0.86;;;;;DOPC;MDCG;27;0;"MARTINI bead: P4_P2";;;;;;;-2.29;;-5.95;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM409663;MM409663;C#CC(C#N)CC#CCC;QZGAPHNLLSUODF-UHFFFAOYSA-N;131.18;1.56;;;;;DOPC;MDCG;27;0;"MARTINI bead: C3_N0";;;;;;;2.87;;0.37;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM409664;MM409664;C#CCc1ncc(C#C)o1;HYVNLYUNRTYDKV-UHFFFAOYSA-N;131.13;0.83;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNa_SN0";;;;;;;1.17;;-1.18;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM409665;MM409665;CN=C1N=CC(CF)=C1C;CSNUAZLSTQNONO-UHFFFAOYSA-N;140.16;1.39;;;;;DOPC;MDCG;27;0;"MARTINI bead: SN0_SNa";;;;;;;1.17;;-1.18;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM409666;MM409666;C=CCC1CC1C(C)(C)O;NVBFSRACLFAWOE-UHFFFAOYSA-N;140.23;1.97;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda_SC4";;;;;;;2.2;;0.49;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM409667;MM409667;C#CC(C=C)=NN1CC1C;RLCWKDYSVTVHEB-UHFFFAOYSA-N;134.18;0.87;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP1_N0";;;;;;;0.34;;-1.53;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM409668;MM409668;CNN(C=O)C(=N)OC=O;ZHLDDMBTDHZFAJ-UHFFFAOYSA-N;145.12;-1.31;;;;;DOPC;MDCG;27;0;"MARTINI bead: P5_P1";;;;;;;-1.94;;-5.95;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM409669;MM409669;C#CC(C=O)CC#CCF;CTTZJVIMFPVUKZ-UHFFFAOYSA-N;138.14;0.8;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_Na";;;;;;;0.87;;-2.22;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM409670;MM409670;C#CCc1nnc(C#C)o1;PPGAYARMJHIIJP-UHFFFAOYSA-N;132.12;0.23;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNa_SP1";;;;;;;0.04;;-2.54;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM409671;MM409671;CCC=NNCC(C)C#N;LPPNFFJTOFPSSA-UHFFFAOYSA-N;139.2;1.13;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nd_N0";;;;;;;1.17;;-1.04;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM409672;MM409672;CCC=NN=CNC;NROKYCCNFXEXED-UHFFFAOYSA-N;113.16;0.63;;;;;DOPC;MDCG;27;0;"MARTINI bead: C3_P3";;;;;;;0.6;;-0.8;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM409673;MM409673;C#CC(C=O)=NN1CC1C;GUTKUMABXMDWEZ-UHFFFAOYSA-N;136.15;-0.12;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP1_P1";;;;;;;-0.79;;-3.13;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM409674;MM409674;C#CC(C#N)CC#CCF;IDZJJNIKXKUJNG-UHFFFAOYSA-N;135.14;1.12;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_N0";;;;;;;1.17;;-1.18;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM409675;MM409675;C=NOC(=N)N(C=N)NC;LRKIAYJCGSYOJH-UHFFFAOYSA-N;143.15;-0.4;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_P2";;;;;;;-1.34;;-4.31;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM409676;MM409676;CC=CC1=CC=C(CC)C1;POPRYSBZLTZRMX-UHFFFAOYSA-N;134.22;3.23;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC3_SC3";;;;;;;4.27;;0.2;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM409677;MM409677;C#CC(F)CON=CCF;KCGQEDIKHOWTCX-UHFFFAOYSA-N;147.12;0.93;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_C5";;;;;;;0.81;;-0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM409678;MM409678;CC(C)C(C)(C)C(C)O;BOBYQFFCQPQLOB-UHFFFAOYSA-N;130.23;2.05;;;;;DOPC;MDCG;27;0;"MARTINI bead: C3_Nda";;;;;;;2.57;;0.44;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM409679;MM409679;C#CC(C#N)=NN1CC1C;KKIGNGJGXXQHGB-UHFFFAOYSA-N;133.15;0.2;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP1_P1";;;;;;;-0.79;;-3.13;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM409680;MM409680;CC=CC1=CC=C(CN)C1;PAKBPINNIOJIEI-UHFFFAOYSA-N;135.21;1.78;;;;;DOPC;MDCG;27;1;"MARTINI bead: SC3_SNd";;;;;;;2.57;;-0.95;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM409681;MM409681;C#CC(C=C)CC#CC=C;JGNGTUWYZLFUNY-UHFFFAOYSA-N;130.19;2;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4_C5";;;;;;;2.97;;0.45;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM409682;MM409682;C=COC(=C)N(C=O)OC;HKWOSMFOYIUQOJ-UHFFFAOYSA-N;143.14;0.64;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_C5";;;;;;;0.54;;-1.09;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM409683;MM409683;C=CC=NNCC(=O)C=C;PTLLEHABUCTXGB-UHFFFAOYSA-N;138.17;0.5;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nd_Na";;;;;;;0.87;;-1.88;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM409684;MM409684;CC(C)CC(O)C(C)C;SNKTZHPOKPYBPT-UHFFFAOYSA-N;130.23;2.05;;;;;DOPC;MDCG;27;0;"MARTINI bead: C3_Nda";;;;;;;2.57;;0.44;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM409685;MM409685;C#CC(C#C)=CC1CC1C;YOPOVZCYXIABHV-UHFFFAOYSA-N;130.19;1.84;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC5_C5";;;;;;;2.41;;0.64;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM409686;MM409686;C#CCC(=C)C(C=C)CN;HGMLQXWUVSZEDZ-UHFFFAOYSA-N;135.21;1.33;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_C5";;;;;;;1.64;;-2.63;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM409687;MM409687;CC=CC1=CC=C(CO)C1;LRDWZJMXRVQJJD-UHFFFAOYSA-N;136.19;1.81;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC3_SNda";;;;;;;2.57;;0.44;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM409688;MM409688;C#CC(C=C)CC#CC=O;YXDOWKITXHTICN-UHFFFAOYSA-N;132.16;1.01;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4_P1";;;;;;;1.37;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM409689;MM409689;Cc1c(CN)c[nH]c1N=O;ACPUEAKGAVDUNK-UHFFFAOYSA-N;139.16;1.18;;;;;DOPC;MDCG;27;1;"MARTINI bead: SNd_SNd";;;;;;;0.87;;-3.68;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM409690;MM409690;CN=c1nnc(C)nn1C;NPVOUGPGIBJTHV-UHFFFAOYSA-N;139.16;-0.95;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP2_SP2";;;;;;;-1.34;;-4.31;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM409691;MM409691;C#CC(C#C)=CC1CC1N;OGBBQLODCYPVQV-UHFFFAOYSA-N;131.18;0.53;;;;;DOPC;MDCG;27;1;"MARTINI bead: SP1_C5";;;;;;;0.81;;-3.08;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM409692;MM409692;CCC(C)(CC)C(C)O;SLBLSROGXMXPPF-UHFFFAOYSA-N;130.23;2.19;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1_P1";;;;;;;2.08;;0.48;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM409693;MM409693;C#CCC(=C)C(C#N)CO;NIPVOTHBVPVVNG-UHFFFAOYSA-N;135.17;0.7;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_C5";;;;;;;0.54;;-1.09;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM409694;MM409694;C#CC(C=C)CC#CC#N;HDJWJFUCPZVEGJ-UHFFFAOYSA-N;129.16;1.34;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_N0";;;;;;;1.94;;0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM409695;MM409695;CC=CC1=CC=C(CF)C1;FNNZZYVUMLEGPE-UHFFFAOYSA-N;138.19;2.79;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC3_SC5";;;;;;;3.34;;0.48;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM409696;MM409696;N=C(NN)ON=CC=NN;BWVHNCALDVTLKS-UHFFFAOYSA-N;144.14;-1.67;;;;;DOPC;MDCG;27;0;"MARTINI bead: P3_Nd";;;;;;;-1.1;;-3.93;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM409697;MM409697;C#CC(C#C)=CC1CC1F;GRFWMSGJVHIYNO-UHFFFAOYSA-N;134.15;1.54;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNa_C5";;;;;;;1.64;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM409698;MM409698;C=COCC(=N)NN=C;GOQAYOMQWJGAIC-UHFFFAOYSA-N;127.15;0.33;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda_P1";;;;;;;0.04;;-2.73;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM409699;MM409699;C#CCC(=C)C(C=O)CF;OZJHIPTUWRPDDY-UHFFFAOYSA-N;140.16;1.35;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_C5";;;;;;;0.81;;-0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM409700;MM409700;COC(=NN)C(C)=CF;OWUBTZRKADFUPH-UHFFFAOYSA-N;132.14;0.78;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_C4";;;;;;;1.37;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM409701;MM409701;C#CC(C=O)CC#CC=C;OQHISZWREAVCMW-UHFFFAOYSA-N;132.16;1.01;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4_Na";;;;;;;2.2;;0.34;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM409702;MM409702;Cc1nnc(=NO)n(C)n1;IVAFANSXGDQZOZ-UHFFFAOYSA-N;141.13;-1.19;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP2_SP3";;;;;;;-2.2;;-5.19;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM409703;MM409703;C#CC(C#C)=CC1OC1C;PTWZKXRLNSQSEX-UHFFFAOYSA-N;132.16;0.97;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNa_C5";;;;;;;1.64;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM409704;MM409704;CCCC(O)C(C)CC;JMRDKKYZLXDPLN-UHFFFAOYSA-N;130.23;2.19;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda_C1";;;;;;;2.91;;0.57;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM409705;MM409705;CCC(CC)OC=NN;WPBOIVHSJNJMCT-UHFFFAOYSA-N;130.19;1.09;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1_P3";;;;;;;0.94;;0.03;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM409706;MM409706;C#CCC(=O)C(C=C)CC;FBEHYALZXZLYGI-UHFFFAOYSA-N;136.19;1.79;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_C5";;;;;;;2.41;;0.64;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM409707;MM409707;C#CC(C#N)CC#CC=C;DNTOXDPQRLXFIW-UHFFFAOYSA-N;129.16;1.34;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4_N0";;;;;;;2.5;;0.44;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM409708;MM409708;CNN(C=NN)C(=O)OC;DWGUAULIQJEPMC-UHFFFAOYSA-N;146.15;-0.91;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_P1";;;;;;;-1.06;;-3.82;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM409709;MM409709;C#CC(C#C)=CC1CN1C;RSKAPGJKJCDDLJ-UHFFFAOYSA-N;131.18;0.49;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP1_C5";;;;;;;0.81;;-0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM409710;MM409710;NN=COC(CF)CF;JYUZTYVSMHDLDD-UHFFFAOYSA-N;138.12;0.21;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_Na";;;;;;;0.04;;-2.54;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM409711;MM409711;C=C1NC(=NC)OC1=O;GVTPFCKKQWSMKD-UHFFFAOYSA-N;126.12;-0.37;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP1_SP1";;;;;;;-0.79;;-3.13;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM409712;MM409712;C#CC(C=O)CC#CC#N;NJWSWCHSQRPFHE-UHFFFAOYSA-N;131.13;0.35;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_N0";;;;;;;1.17;;-1.18;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM409713;MM409713;C#CCC(=O)C(C=O)CF;RYVAETSPHMDZKH-UHFFFAOYSA-N;142.13;0.36;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_Na";;;;;;;0.04;;-2.54;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM409714;MM409714;C=NN(C=NN)C(=O)OC;RHMNLJHGGHXTEF-UHFFFAOYSA-N;144.13;-0.43;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_P2";;;;;;;-1.06;;-3.82;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM409715;MM409715;C#CC(C#C)=NN1CC1C;KLYNWNXDYWVAAP-UHFFFAOYSA-N;132.17;0.31;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP1_N0";;;;;;;0.34;;-1.53;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM409716;MM409716;CC=CC1=CC=C(OC)C1;XQPKEOUFXCCNSA-UHFFFAOYSA-N;136.19;2.42;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC5_SC3";;;;;;;3.34;;0.48;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM409717;MM409717;C#CCC(=C)C(C=C)NC;PFDZRGWVVYZEDZ-UHFFFAOYSA-N;135.21;1.34;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_N0";;;;;;;1.17;;-2.86;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM409718;MM409718;NCc1c[nH]c(N=O)c1N;WHCOGDPDXMFPLB-UHFFFAOYSA-N;140.15;0.45;;;;;DOPC;MDCG;27;1;"MARTINI bead: SP1_SNd";;;;;;;0.04;;-3.68;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM409719;MM409719;C#CC(C#N)CC#CC#N;ORSXCTIJYFJULO-UHFFFAOYSA-N;128.13;0.68;;;;;DOPC;MDCG;27;0;"MARTINI bead: N0_N0";;;;;;;1.47;;-0.05;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM409720;MM409720;COCC(=NN)N(N)C=O;BGFFQWFNBMODBJ-UHFFFAOYSA-N;146.15;-1.76;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_P2";;;;;;;-1.34;;-4.31;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM409721;MM409721;CC1CCC(CN)CC1C;QITCLALFTCCFNF-UHFFFAOYSA-N;141.26;2.02;;;;;DOPC;MDCG;27;1;"MARTINI bead: SC1_SC5";;;;;;;3.68;;0.56;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM409722;MM409722;C#CC#CCC(C#C)C=C;YJHXZBKSVATTRY-UHFFFAOYSA-N;128.17;1.45;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_C4";;;;;;;2.97;;0.45;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM409723;MM409723;C=C1N=C(C=O)NC1=N;ATMVVFDEMKEZDA-UHFFFAOYSA-N;123.12;-0.32;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP2_SP1";;;;;;;-1.06;;-3.82;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM409724;MM409724;CNN=C(C)OC=C(C)F;RSQLGYQYIBYBEW-UHFFFAOYSA-N;146.17;1.39;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nd_Na";;;;;;;0.87;;-1.88;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM409725;MM409725;C=CC(CC)OC=NN;YJEYRWQABZYYAP-UHFFFAOYSA-N;128.18;0.87;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1_P3";;;;;;;0.94;;0.03;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM409726;MM409726;N#CCN1CC(C(=O)O)C1;WALGZAYFNAUXTG-UHFFFAOYSA-N;140.14;-0.47;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP4_SNd";;;;;;;-1.19;;-8.38;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM409727;MM409727;NC1CC(CF)CCC1O;FTGJSOGHMCUALO-UHFFFAOYSA-N;147.19;0.44;;;;;DOPC;MDCG;27;1;"MARTINI bead: SC3_SNda";;;;;;;2.57;;-1.37;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM409728;MM409728;CN1CCC(=O)C(=N)N1;QMMFCBZLKWOIEZ-UHFFFAOYSA-N;127.15;-0.63;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP1_SP3";;;;;;;-1.93;;-4.72;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM409729;MM409729;C#CC#CCC(C#C)C=O;FHYZMGOPFJBKBH-UHFFFAOYSA-N;130.15;0.46;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_C4";;;;;;;2.2;;0.34;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM409730;MM409730;N#CCOCC(O)C(=O)O;SKCYKGLYZSBDNK-UHFFFAOYSA-N;145.11;-1.03;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_P2";;;;;;;-1.06;;-8.91;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM409731;MM409731;C#CCC(=C)C(C=O)OC;HPNSQWRXUMMMLP-UHFFFAOYSA-N;138.17;0.78;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_C5";;;;;;;0.81;;-0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM409732;MM409732;CC=CC1=NN=C(CC)C1;IYYYQYLSXMLACJ-UHFFFAOYSA-N;136.2;2.17;;;;;DOPC;MDCG;27;0;"MARTINI bead: SN0_SC5";;;;;;;1.94;;0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM409733;MM409733;CNC1CCC(O)C(C)C1;QBSDBWLZKHZGDM-UHFFFAOYSA-N;143.23;0.76;;;;;DOPC;MDCG;27;1;"MARTINI bead: SC5_SC5";;;;;;;2.41;;-0.66;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM409734;MM409734;CNc1nn(C)oc1=O;VPLQSBXXFGGLJY-UHFFFAOYSA-N;129.12;-0.59;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNda_SP2";;;;;;;-0.24;;-3.31;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM409735;MM409735;C#CC#CCC(C#C)C#N;RWWHVPWNIIPIDZ-UHFFFAOYSA-N;127.15;0.79;;;;;DOPC;MDCG;27;0;"MARTINI bead: N0_N0";;;;;;;1.47;;-0.05;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM409736;MM409736;CN=c1nnc(C)nn1N;PEJOPALMXRXBHC-UHFFFAOYSA-N;140.15;-1.77;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP3_SP2";;;;;;;-2.2;;-5.19;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM409737;MM409737;C#CCC(=O)C(C#N)OC;STKQTSRGLOPSBM-UHFFFAOYSA-N;137.14;0.12;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_Na";;;;;;;0.04;;-2.54;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM409738;MM409738;CCC1=NN=C(C=CN)C1;RMGFEBBEPKWQEO-UHFFFAOYSA-N;137.19;1.07;;;;;DOPC;MDCG;27;0;"MARTINI bead: SN0_SNd";;;;;;;1.17;;-1.04;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM409739;MM409739;NCC1CC(N)C(O)CN1;NTYGYJNPYIIWOA-UHFFFAOYSA-N;145.21;-2;;;;;DOPC;MDCG;27;1;"MARTINI bead: SP1_SP2";;;;;;;-1.06;;-6.19;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM409740;MM409740;C#CC=CNC=NN=C;FFVNSRDQBMBOMQ-UHFFFAOYSA-N;121.14;0.37;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nd_N0";;;;;;;1.17;;-1.04;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM409741;MM409741;C#CC(C#C)CC#CCC;RYMFWKHXKMGPOD-UHFFFAOYSA-N;130.19;1.67;;;;;DOPC;MDCG;27;0;"MARTINI bead: C3_N0";;;;;;;2.87;;0.37;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM409742;MM409742;CCC=NN(C=O)C=NN;LZHAZYLSCMATRD-UHFFFAOYSA-N;142.16;-0.26;;;;;DOPC;MDCG;27;0;"MARTINI bead: N0_P4";;;;;;;-0.88;;-3.74;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM409743;MM409743;C#CCC(=O)N(C=C)CC;WQVGFESXVVMYNI-UHFFFAOYSA-N;137.18;1;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda_N0";;;;;;;1.17;;-1.13;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM409744;MM409744;CC=CC1=NN=C(CO)C1;MIUYYJHWIJMTKY-UHFFFAOYSA-N;138.17;0.76;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC5_SNda";;;;;;;1.64;;0.05;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM409745;MM409745;C#CC(C#C)CC#CCN;NUXVLAVGKSHHEK-UHFFFAOYSA-N;131.18;0.22;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_N0";;;;;;;1.17;;-2.54;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM409746;MM409746;NC1CC(CO)NCC1F;UFKJELMXXYLYKU-UHFFFAOYSA-N;148.18;-0.99;;;;;DOPC;MDCG;27;1;"MARTINI bead: SNda_SP2";;;;;;;-0.24;;-4.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM409747;MM409747;Cc1nnc(=NO)n(N)n1;WPWGLRDDFIKDJD-UHFFFAOYSA-N;142.12;-2.01;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP2_SP3";;;;;;;-2.2;;-5.19;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM409748;MM409748;CCCC=NN=CNC;QQGLJAPYUJUOJI-UHFFFAOYSA-N;127.19;1.02;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1_P3";;;;;;;0.94;;0.03;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM409749;MM409749;C#CCC(=O)N(C=N)CC;HCRDPCAQSRVXON-UHFFFAOYSA-N;138.17;0.47;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_N0";;;;;;;0.06;;-2.21;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM409750;MM409750;NC=CC1=NN=C(CO)C1;GMFOLEMSZREZHV-UHFFFAOYSA-N;139.16;-0.35;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNd_SNda";;;;;;;0.87;;-1.92;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM409751;MM409751;C#CC(C#C)CC#CCO;KBGBNENALHRICE-UHFFFAOYSA-N;132.16;0.25;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda_N0";;;;;;;1.17;;-1.13;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM409752;MM409752;C#CC1CC2(O)CC1C2C;NPORRDWYTFHRFS-UHFFFAOYSA-N;136.19;1.03;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNda_SC4";;;;;;;2.2;;0.49;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM409753;MM409753;CCC1CCC(N)C(C)O1;GKESXGLGIMKELG-UHFFFAOYSA-N;143.23;1.29;;;;;DOPC;MDCG;27;1;"MARTINI bead: SC4_SNd";;;;;;;2.2;;-1.8;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM409754;MM409754;CC1CC1(O)C1CC1(C)C;CWUBYCJGPXEPCX-UHFFFAOYSA-N;140.23;1.8;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNda_SC4";;;;;;;2.2;;0.49;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM409755;MM409755;C#CCC(=N)N(CC)N=C;ZLVJGTXSCHGCEP-UHFFFAOYSA-N;137.19;0.92;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_N0";;;;;;;0.34;;-1.53;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM409756;MM409756;CC=CC1=NN=C(CF)C1;QKWHQMIBIDPPPA-UHFFFAOYSA-N;140.16;1.73;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC5_SNa";;;;;;;1.64;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM409757;MM409757;CCN1CCN(C)C(C)C1;CGCMTWWIGZIZHN-UHFFFAOYSA-N;142.25;0.64;;;;;DOPC;MDCG;27;1;"MARTINI bead: SP1_SP1";;;;;;;-0.79;;-4.57;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM409758;MM409758;CN=C1N=CC(OC)=C1C;IIQNFGJZDKQHTD-UHFFFAOYSA-N;138.17;1.02;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNa_SN0";;;;;;;1.17;;-1.18;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM409759;MM409759;CC=C1CC2(O)CC1C2C;KIPZYBMPIJLURY-UHFFFAOYSA-N;138.21;1.72;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC1_SNda";;;;;;;2.91;;0.57;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM409760;MM409760;NC=CC1=NN=C(CF)C1;FGLAMRLDDUQICA-UHFFFAOYSA-N;141.15;0.63;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNd_SNa";;;;;;;0.87;;-1.88;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM409761;MM409761;C#CC(C#C)CC#CCF;MYQPHNOSGUGLFV-UHFFFAOYSA-N;134.15;1.23;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_C5";;;;;;;1.64;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM409762;MM409762;C#CCC(=O)N(CC)N=C;MHSOREGFSVALMD-UHFFFAOYSA-N;138.17;0.47;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_N0";;;;;;;0.34;;-1.53;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM409763;MM409763;C=CC1CCC(N)C(N)C1;OWFYFKJPKUTJKV-UHFFFAOYSA-N;140.23;0.63;;;;;DOPC;MDCG;27;1;"MARTINI bead: SP1_SC1";;;;;;;2.08;;-0.96;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM409764;MM409764;C=NNC(=N)COCCF;NKIIIQULVZFLOX-UHFFFAOYSA-N;147.15;0.15;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_P2";;;;;;;-0.24;;-3.24;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM409765;MM409765;Nc1nnc(=NO)n(N)n1;LCVHYZOTLHMTGG-UHFFFAOYSA-N;143.11;-2.74;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP2_SP3";;;;;;;-2.2;;-5.19;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM409766;MM409766;CC=CC1=NN=C(OC)C1;YGJRVNKRXRPNQW-UHFFFAOYSA-N;138.17;1.37;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNa_SC5";;;;;;;1.64;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM409767;MM409767;C#CCC(=N)N(C=O)NC;SFHSQEFEFKTSLC-UHFFFAOYSA-N;139.16;-0.42;;;;;DOPC;MDCG;27;0;"MARTINI bead: P5_N0";;;;;;;-0.81;;-4.41;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM409768;MM409768;C#CC(C#C)CC#CC=C;LAIDNEVSXZXGCL-UHFFFAOYSA-N;128.17;1.45;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4_N0";;;;;;;2.5;;0.44;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM409769;MM409769;C=CC1CC(C)C(N)CO1;WZQBYNZRISCUPZ-UHFFFAOYSA-N;141.21;0.92;;;;;DOPC;MDCG;27;1;"MARTINI bead: SC5_SNd";;;;;;;1.64;;-2.27;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM409770;MM409770;Oc1cc(F)n[nH]1;AIFVTAQCYAKVLY-UHFFFAOYSA-N;102.07;0.25;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP1_SNda";;;;;;;0.04;;-8.08;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM409771;MM409771;C#CC=NNC(=N)COC;STCKCGQRQUVEHW-UHFFFAOYSA-N;139.16;-0.18;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_Nd";;;;;;;0.04;;-2.63;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM409772;MM409772;COC1=NN=C(C=CN)C1;YFEYETDOKOBTAL-UHFFFAOYSA-N;139.16;0.26;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNa_SNd";;;;;;;0.87;;-1.88;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM409773;MM409773;C#CC(C#C)CC#CC=O;SRBDBDWOQYROBC-UHFFFAOYSA-N;130.15;0.46;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_C5";;;;;;;0.81;;-0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM409774;MM409774;C#CCC(=O)N(C=C)NC;WQLJCYDXGBIPKS-UHFFFAOYSA-N;138.17;0.12;;;;;DOPC;MDCG;27;0;"MARTINI bead: P3_N0";;;;;;;-0.8;;-2.99;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM409775;MM409775;C=CC1CC(C)C(O)CO1;AESVTDACEBCFRB-UHFFFAOYSA-N;142.2;0.96;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC5_SNda";;;;;;;1.64;;0.05;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM409776;MM409776;Cc1nn[nH]c1O;DRUROWJFUBRKLH-UHFFFAOYSA-N;99.09;-0.18;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP1_SP2";;;;;;;-1.06;;-8.91;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM409777;MM409777;C=C(C=NOCC)C(C)=O;CJLLTBPXUCORFX-UHFFFAOYSA-N;141.17;1.15;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_Na";;;;;;;0.87;;-2.22;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM409778;MM409778;CC=Cc1ccc(CC)[nH]1;XIFBDIUEVYWVOM-UHFFFAOYSA-N;135.21;2.61;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC5_SC5";;;;;;;2.41;;0.64;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM409779;MM409779;C#CCC(=O)N(C=O)NC;JFZZGZDRYAUDBM-UHFFFAOYSA-N;140.14;-0.87;;;;;DOPC;MDCG;27;0;"MARTINI bead: P3_N0";;;;;;;-0.8;;-2.99;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM409780;MM409780;C#CC(C#C)CC#CC#N;PSIXZXNVRVYFSV-UHFFFAOYSA-N;127.15;0.79;;;;;DOPC;MDCG;27;0;"MARTINI bead: N0_N0";;;;;;;1.47;;-0.05;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM409781;MM409781;CC1CC(C=O)OCC1O;GZDKNQJVJWRHIV-UHFFFAOYSA-N;144.17;-0.03;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNa_SNda";;;;;;;0.87;;-1.99;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM409782;MM409782;C=CC1CC2C(C)C2(O)C1;HJZSOUAPNMWGLL-UHFFFAOYSA-N;138.21;1.58;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC2_SNda";;;;;;;2.83;;0.57;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM409783;MM409783;C=CC1=C(C)C(=CC)C=C1;KCJPXGIIKRZXQZ-UHFFFAOYSA-N;132.21;3.01;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC4_SC3";;;;;;;3.9;;0.47;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM409784;MM409784;CC=Cc1ccc(CN)[nH]1;TWKVFMYWAATUNW-UHFFFAOYSA-N;136.2;1.51;;;;;DOPC;MDCG;27;1;"MARTINI bead: SC5_SP1";;;;;;;0.81;;-1.93;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM409785;MM409785;C#CCC(=C)N(C=O)OC;ZLYITIUQDYUPIE-UHFFFAOYSA-N;139.15;0.54;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_N0";;;;;;;0.34;;-1.53;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM409786;MM409786;C#CC#CCC(C#C)C#C;FXVLULDMJHIDLY-UHFFFAOYSA-N;126.16;0.9;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4_N0";;;;;;;2.5;;0.44;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM409787;MM409787;C=CC1CCC(C)C(C)N1;YEBAMLHWYBWZMR-UHFFFAOYSA-N;139.24;1.95;;;;;DOPC;MDCG;27;1;"MARTINI bead: SN0_SNd";;;;;;;1.17;;-3.63;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM409788;MM409788;N=CN(C=O)C(CF)=NN;UVLHHHHLUBRSED-UHFFFAOYSA-N;146.13;-0.71;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_P3";;;;;;;-1.1;;-4.2;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM409789;MM409789;CC=C1C=CC(C=O)=C1C;NMLGKEKKBILQNT-UHFFFAOYSA-N;134.18;2.02;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC4_SNa";;;;;;;2.2;;0.34;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM409790;MM409790;CC=Cc1ccc(CO)[nH]1;VGUICYRQDFCTEZ-UHFFFAOYSA-N;137.18;1.54;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC5_SNda";;;;;;;1.64;;0.05;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM409791;MM409791;C#CCC(=N)N(C=N)OC;NLRLNPLPTITORL-UHFFFAOYSA-N;139.16;0.46;;;;;DOPC;MDCG;27;0;"MARTINI bead: P3_N0";;;;;;;-0.8;;-2.99;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM409792;MM409792;CC=C(CC)CCCCC;LOELURLEUUNSHH-UHFFFAOYSA-N;140.27;3.92;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1_C1";;;;;;;4.95;;0.69;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM409793;MM409793;CC1CN(C=N)CCC1N;IEGDKKYCKOAAOW-UHFFFAOYSA-N;141.22;0.26;;;;;DOPC;MDCG;27;1;"MARTINI bead: SNd_SP1";;;;;;;0.04;;-6.76;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM409794;MM409794;Cc1nnc(=NO)n(O)n1;VSTGATOJTBNRHT-UHFFFAOYSA-N;143.11;-1.49;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP2_SP3";;;;;;;-2.2;;-5.19;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM409795;MM409795;CC=Cc1ccc(CF)[nH]1;MKEPCZBJMMQNRE-UHFFFAOYSA-N;139.17;2.52;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC5_SNda";;;;;;;1.64;;0.05;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM409796;MM409796;CC=C1C=CC(C#N)=C1C;UVJHGGBECRTTGF-UHFFFAOYSA-N;131.18;2.34;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC4_SN0";;;;;;;2.5;;0.44;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM409797;MM409797;C#CCC(=O)N(C=C)OC;IRQVAJVZHYLGFH-UHFFFAOYSA-N;139.15;0.54;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_Na";;;;;;;0.04;;-2.54;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM409798;MM409798;CC=C(CC)CCCCN;IEYQVYXKSPLNKD-UHFFFAOYSA-N;141.26;2.47;;;;;DOPC;MDCG;27;1;"MARTINI bead: C1_Nd";;;;;;;2.91;;-0.56;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM409799;MM409799;NC1CN(C=O)CCC1O;RDSZYIIMLLCTNN-UHFFFAOYSA-N;144.17;-1.46;;;;;DOPC;MDCG;27;1;"MARTINI bead: SNda_SP2";;;;;;;-0.24;;-4.76;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM409800;MM409800;C=CC(C#N)CNN=CC;WTSDJNZMRMLZRF-UHFFFAOYSA-N;137.19;0.91;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nd_N0";;;;;;;1.17;;-1.04;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM409801;MM409801;C=CC(OC)OC=NN;ZWUBQJSVFUNJDS-UHFFFAOYSA-N;130.15;0.06;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_N0";;;;;;;0.06;;-2.21;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM409802;MM409802;C=CC1=C(C)C(=CF)C=C1;VPASOJJCLNBJND-UHFFFAOYSA-N;136.17;2.91;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC3_SC5";;;;;;;3.34;;0.48;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM409803;MM409803;CNN=C(C)OC=C(F)F;NVTOJXIKGGAQTK-UHFFFAOYSA-N;150.13;1.29;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nd_Na";;;;;;;0.87;;-1.88;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM409804;MM409804;CC1CN(C=O)NCC1N;CUDFUCNTBKSZLZ-UHFFFAOYSA-N;143.19;-1.07;;;;;DOPC;MDCG;27;1;"MARTINI bead: SP2_SP2";;;;;;;-1.34;;-6.1;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM409805;MM409805;C#CCC1COC(NN)=N1;LOXXAXPKZRFNFP-UHFFFAOYSA-N;139.16;-0.77;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP2_SN0";;;;;;;0.06;;-2.21;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM409806;MM409806;CCC12C=C(C)C(=O)C1N2;YPRVKHYIZHDYGF-UHFFFAOYSA-N;137.18;0.64;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNd_SNa";;;;;;;0.87;;-1.88;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM409807;MM409807;CC=Cc1ccc(OC)[nH]1;DQRCSVHWHBQBHQ-UHFFFAOYSA-N;137.18;2.06;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNda_SC5";;;;;;;1.64;;0.05;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM409808;MM409808;CC1=C(C=O)C=CC1=CF;VHJYBELTIXUMLT-UHFFFAOYSA-N;138.14;1.93;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNa_SC5";;;;;;;1.64;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM409809;MM409809;CC1CN(C=O)OCC1N;YRILXUWKRFCVDQ-UHFFFAOYSA-N;144.17;-0.65;;;;;DOPC;MDCG;27;1;"MARTINI bead: SP1_SP2";;;;;;;-1.06;;-5.7;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM409810;MM409810;C#CCC(=O)N(C=O)OC;VDXCUQFCTMUJPF-UHFFFAOYSA-N;141.13;-0.44;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_Na";;;;;;;-0.24;;-3.24;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM409811;MM409811;CCCCCC(=CF)CC;ZOCJSQNMAXIGQS-UHFFFAOYSA-N;144.23;3.83;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1_C2";;;;;;;4.87;;0.53;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM409812;MM409812;Nc1nnc(=NO)n(O)n1;PMGHBINRKSFRPL-UHFFFAOYSA-N;144.09;-2.22;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP2_SP3";;;;;;;-2.2;;-5.19;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM409813;MM409813;C#CC(CC)OC=NN;PMCUQWKRVKSUNC-UHFFFAOYSA-N;126.16;0.32;;;;;DOPC;MDCG;27;0;"MARTINI bead: C3_P3";;;;;;;0.6;;-0.8;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM409814;MM409814;CC1=C(C#N)C=CC1=CF;HGYBCQRHNITHCV-UHFFFAOYSA-N;135.14;2.25;;;;;DOPC;MDCG;27;0;"MARTINI bead: SN0_SC5";;;;;;;1.94;;0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM409815;MM409815;C=CC1CCN(C)C(C)C1;KXEBQHZDVNWXGT-UHFFFAOYSA-N;139.24;1.9;;;;;DOPC;MDCG;27;1;"MARTINI bead: SN0_SC5";;;;;;;1.94;;-1.32;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM409816;MM409816;CCC(=CF)CCCCN;NRQISCLZUBFZIS-UHFFFAOYSA-N;145.22;2.38;;;;;DOPC;MDCG;27;1;"MARTINI bead: C2_Nd";;;;;;;2.83;;-0.75;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM409817;MM409817;CN(C=CC(=O)O)CC#N;YYAVQEGUKHGIJZ-UHFFFAOYSA-N;140.14;0.04;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_Nda";;;;;;;-0.24;;-8.34;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM409818;MM409818;C#CC(CC)C(=C)CCC;SCQHDITXPGYGBE-UHFFFAOYSA-N;136.24;3;;;;;DOPC;MDCG;27;0;"MARTINI bead: C3_C3";;;;;;;4.27;;0.2;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM409819;MM409819;C=CC(C=C)OC=NN;SHTSPCSJHYZEFX-UHFFFAOYSA-N;126.16;0.65;;;;;DOPC;MDCG;27;0;"MARTINI bead: P3_C2";;;;;;;0.86;;-0.3;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM409820;MM409820;CC=C1C=CC(C=O)=C1N;SNJIALQTACBYAV-UHFFFAOYSA-N;135.17;0.91;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC4_SP1";;;;;;;1.37;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM409821;MM409821;C#CC1CCC(F)C(N)C1;CUPSXEYOFLLZCR-UHFFFAOYSA-N;141.19;1.09;;;;;DOPC;MDCG;27;1;"MARTINI bead: SC3_SNda";;;;;;;2.57;;-0.7;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM409822;MM409822;NC=C(C=O)C1NC1C=O;FNQMWTWKDOWTMF-UHFFFAOYSA-N;140.14;-1.43;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_SP2";;;;;;;-1.34;;-4.31;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM409823;MM409823;O=c1nnnnc(=NO)[nH]1;VDSPLFYSFNAXHY-UHFFFAOYSA-N;142.08;-2.76;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP3_SP3";;;;;;;-3.07;;-10.27;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM409824;MM409824;CC=Cc1cnc(OC)[nH]1;RFHNPUPHOYYDAR-UHFFFAOYSA-N;138.17;1.45;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNda_SNd";;;;;;;0.87;;-1.92;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM409825;MM409825;C#CC(CF)C(=C)CCN;HLROFCGIJYLZDU-UHFFFAOYSA-N;141.19;1.11;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_Na";;;;;;;0.87;;-4.63;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM409826;MM409826;CC=C1C=CC(C#N)=C1N;VYKFSHFLGIGBPM-UHFFFAOYSA-N;132.17;1.24;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC4_SNd";;;;;;;2.2;;0.32;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM409827;MM409827;C=C1CCC(CN)CC1N;DQAIMUXXDYLASH-UHFFFAOYSA-N;140.23;0.63;;;;;DOPC;MDCG;27;1;"MARTINI bead: SC5_SC5";;;;;;;2.41;;-0.66;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM409828;MM409828;CCC(=CF)CCCCF;ZZKBNKLDVSEJSJ-UHFFFAOYSA-N;148.2;3.39;;;;;DOPC;MDCG;27;0;"MARTINI bead: C2_C4";;;;;;;4.16;;0.44;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM409829;MM409829;C=c1cc(C)ccc1=CC;TZDCEFWJFYENFR-UHFFFAOYSA-N;132.21;1.21;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC1_SC4";;;;;;;4.24;;0.42;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM409830;MM409830;CC=C(CC)OC=NN;LSAXRGXYDSQTND-UHFFFAOYSA-N;128.18;1.22;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1_P3";;;;;;;0.94;;0.03;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM409831;MM409831;C#CC(CF)C(=C)CCF;DIOLKJUQKAMXQL-UHFFFAOYSA-N;144.16;2.12;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_Na";;;;;;;1.64;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM409832;MM409832;NC1=C(C=O)C=CC1=CF;NZPXMWUSXIYHNO-UHFFFAOYSA-N;139.13;0.82;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP1_SC5";;;;;;;0.81;;-0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM409833;MM409833;C=C1CNC(CO)CC1N;UOMUFEAZTOWPOI-UHFFFAOYSA-N;142.2;-0.78;;;;;DOPC;MDCG;27;1;"MARTINI bead: SNda_SP2";;;;;;;-0.24;;-5.25;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM409834;MM409834;CC=C(CN)CCCCC;KYGMPZKTKXPNRV-UHFFFAOYSA-N;141.26;2.47;;;;;DOPC;MDCG;27;1;"MARTINI bead: C1_Nd";;;;;;;2.91;;-0.08;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM409835;MM409835;C=CC(=NN)OC=CF;DATRDFDBQIJGHC-UHFFFAOYSA-N;130.12;0.9;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda_C5";;;;;;;1.64;;0.05;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM409836;MM409836;C#CC(CC)C(=O)CCF;SIQXISKQFMCUOR-UHFFFAOYSA-N;142.17;1.57;;;;;DOPC;MDCG;27;0;"MARTINI bead: C3_P1";;;;;;;1.74;;0.29;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM409837;MM409837;C=c1cc(C)ccc1=CF;VGNAFLAZYIYYTG-UHFFFAOYSA-N;136.17;1.11;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC4_SC4";;;;;;;3.53;;0.53;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM409838;MM409838;N#CC1=C(N)C(=CF)C=C1;CUBDUFIOOJDVSN-UHFFFAOYSA-N;136.13;1.15;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNd_SC5";;;;;;;1.64;;0.02;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM409839;MM409839;CN1OC(CN)CCC1=N;OTURBBOTKVHEJP-UHFFFAOYSA-N;143.19;-0.05;;;;;DOPC;MDCG;27;1;"MARTINI bead: SP1_SP2";;;;;;;-1.06;;-5.84;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM409840;MM409840;CC=C(CN)CCCCN;ZPKHPUPVTKZARD-UHFFFAOYSA-N;142.25;1.02;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_Nd";;;;;;;0.87;;-5.02;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM409841;MM409841;CC#CCC(=NN)OC;RYFVUHZNJRZUBO-UHFFFAOYSA-N;126.16;0.32;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_C4";;;;;;;1.37;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM409842;MM409842;C=c1cc(F)ccc1=CC;ITFKEYRBZRKNAH-UHFFFAOYSA-N;136.17;1.04;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC1_SC5";;;;;;;3.68;;0.46;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM409843;MM409843;C#CC(CF)C(=O)CCO;VTEIOTZFDXUQOB-UHFFFAOYSA-N;144.15;0.16;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_Na";;;;;;;-0.24;;-3.24;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM409844;MM409844;C=CC1=C(C)C(=NN)C=C1;FQIWDAKFHFOZPG-UHFFFAOYSA-N;134.18;1.37;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC3_SNd";;;;;;;2.57;;0.53;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM409845;MM409845;C=CC1CC(C)C(=C)CO1;AATWNPNFMTZIJQ-UHFFFAOYSA-N;138.21;2.15;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC5_SC5";;;;;;;2.41;;0.64;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM409846;MM409846;NCC(=CF)CCCCO;SKNZMQMTVCPKHQ-UHFFFAOYSA-N;147.19;0.96;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1_Nda";;;;;;;0.04;;-4.89;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM409847;MM409847;CC=C1C=CC(=NN)O1;WTAYOPKPHKDFDK-UHFFFAOYSA-N;124.14;0.75;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC5_SNda";;;;;;;1.64;;0.05;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM409848;MM409848;C=c1cc(F)ccc1=CF;JBECFZVEQGKZCC-UHFFFAOYSA-N;140.13;0.94;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC4_SC5";;;;;;;2.97;;0.45;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM409849;MM409849;C#CC(CO)C(=C)CNC;CRPGMQDSCRTZTJ-UHFFFAOYSA-N;139.2;;;;;;DOPC;MDCG;27;1;"MARTINI bead: P2_Nda";;;;;;;-0.24;;-5.4;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM409850;MM409850;C=CC1=C(C)C(=NO)C=C1;UVAYKSQVDXTXMG-UHFFFAOYSA-N;135.17;1.89;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC3_SNda";;;;;;;2.57;;0.44;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM409851;MM409851;C=C1CCN(C=N)CC1O;XPBIGMGFMMJRHS-UHFFFAOYSA-N;140.19;0.22;;;;;DOPC;MDCG;27;1;"MARTINI bead: SNd_SP2";;;;;;;-0.24;;-6.62;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM409852;MM409852;NCC(=CF)CCCCF;RVLSDTKJQOSSKL-UHFFFAOYSA-N;149.18;1.94;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1_C4";;;;;;;1.37;;-2.11;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM409853;MM409853;C=C1C=C(F)CC=C1CC;XRHJBLVUMJIUQD-UHFFFAOYSA-N;138.19;3.14;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC1_SC5";;;;;;;3.68;;0.46;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM409854;MM409854;NN=C1C=CC(=CF)O1;DOEYIXRRGWXIBD-UHFFFAOYSA-N;128.11;0.66;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNda_SNa";;;;;;;0.87;;-1.99;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM409855;MM409855;C#CC(CF)C(=O)CNC;ZWPZVRIQZNXVJJ-UHFFFAOYSA-N;143.16;-0.01;;;;;DOPC;MDCG;27;1;"MARTINI bead: P2_Na";;;;;;;-0.24;;-4.37;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM409856;MM409856;NC1=C(C=O)C=CC1=NO;RIXVQCZPLVQGMK-UHFFFAOYSA-N;138.13;-0.2;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP1_SNda";;;;;;;0.04;;-2.73;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM409857;MM409857;C#CC(=NN)OC=C(F)F;UKHZUWYIWKNQAC-UHFFFAOYSA-N;146.1;0.65;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_C4";;;;;;;1.09;;-0.38;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM409858;MM409858;NN=CC#CC#CCCF;LDNWHBMVBPYWQU-UHFFFAOYSA-N;138.15;0.3;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nd_C4";;;;;;;2.2;;0.32;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM409859;MM409859;CC=Cc1nc(CC)n[nH]1;VWGQTDGYTBNOJC-UHFFFAOYSA-N;137.19;1.4;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNda_SNda";;;;;;;0.87;;-2.07;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM409860;MM409860;C=C1C=C(C)OC=C1CC;LLFFSSQOIRBYPF-UHFFFAOYSA-N;136.19;2.77;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC3_SC5";;;;;;;3.34;;0.48;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM409861;MM409861;C=Cc1[nH]cc(N=O)c1C;JSVJJUYEGAUPCT-UHFFFAOYSA-N;136.15;2.36;;;;;DOPC;MDCG;27;0;"MARTINI bead: SN0_SNd";;;;;;;1.17;;-1.04;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM409862;MM409862;C#CC(CC)C(=C)COC;BQBMYKFTIXGPLT-UHFFFAOYSA-N;138.21;1.85;;;;;DOPC;MDCG;27;0;"MARTINI bead: C3_Na";;;;;;;2.57;;0.45;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM409863;MM409863;C=C1CNN(C=N)CC1O;PTNSLMZYQYVUFD-UHFFFAOYSA-N;141.17;-0.67;;;;;DOPC;MDCG;27;1;"MARTINI bead: SP2_SP3";;;;;;;-2.2;;-7;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM409864;MM409864;CC=C(CO)CCCCN;ORWOPFGRLAEERM-UHFFFAOYSA-N;143.23;1.05;;;;;DOPC;MDCG;27;1;"MARTINI bead: C5_Nd";;;;;;;1.64;;-2.7;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM409865;MM409865;CCc1coc(C)cc1=O;DNPXGJFPIXMENU-UHFFFAOYSA-N;138.17;1.51;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_SNa";;;;;;;1.64;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM409866;MM409866;CC=Cc1n[nH]c(CO)n1;YBUVFQWKQSKFRQ-UHFFFAOYSA-N;139.16;0.33;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNda_SP2";;;;;;;-0.24;;-3.31;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM409867;MM409867;C#CC(NC)C(=C)CCC;VWYPGMCPHPLZBD-UHFFFAOYSA-N;137.23;1.56;;;;;DOPC;MDCG;27;1;"MARTINI bead: C1_P2";;;;;;;1.8;;-0.24;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM409868;MM409868;CC1=C(C=O)N=CC1=NO;CUXMGSIDLZBWFV-UHFFFAOYSA-N;138.13;0.37;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNa_SNda";;;;;;;0.87;;-1.99;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM409869;MM409869;CNC1=NN=C(NC)OC1;JTFQUSNNBPEONA-UHFFFAOYSA-N;142.16;-0.88;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP1_SP1";;;;;;;-0.79;;-3.13;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM409870;MM409870;CC(=O)C(C)C1(C#N)CN1;HICBDOHZBJPBRE-UHFFFAOYSA-N;138.17;0.08;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_SP2";;;;;;;-0.24;;-3.24;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM409871;MM409871;Cc1cc(=O)c(CN)co1;VZKAPNVCSWXQTP-UHFFFAOYSA-N;139.15;0.41;;;;;DOPC;MDCG;27;1;"MARTINI bead: SNa_P2";;;;;;;-0.24;;-4.84;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM409872;MM409872;CC=Cc1n[nH]c(CF)n1;IUGKQEHNPSUJEP-UHFFFAOYSA-N;141.15;1.31;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNda_SP1";;;;;;;0.04;;-2.73;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM409873;MM409873;C#CC(NC)C(=C)CCN;UJNCCOPTTQBJND-UHFFFAOYSA-N;138.21;0.11;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1_P1";;;;;;;-0.79;;-5.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM409874;MM409874;Cc1c(N=O)c[nH]c1C#N;UVUASLIDUNTLLI-UHFFFAOYSA-N;135.13;1.59;;;;;DOPC;MDCG;27;0;"MARTINI bead: SN0_SNd";;;;;;;1.17;;-1.04;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM409875;MM409875;CC=C(CF)CCCCC;AZDIJSMSSSGBQE-UHFFFAOYSA-N;144.23;3.48;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1_C3";;;;;;;4.61;;0.31;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM409876;MM409876;CN1CC(C#N)CCC1=N;WRSDESKLWQDOII-UHFFFAOYSA-N;137.19;0.83;;;;;DOPC;MDCG;27;1;"MARTINI bead: SP1_SNd";;;;;;;0.04;;-7.39;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM409877;MM409877;CNc1coc(C)cc1=O;SNGNYTGAYGPTCV-UHFFFAOYSA-N;139.15;0.99;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_SNa";;;;;;;-0.24;;-3.24;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM409878;MM409878;COC(CN1CC1)=NN;VMYAHLVDKIKFDT-UHFFFAOYSA-N;129.16;-0.78;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_SP1";;;;;;;-0.79;;-3.13;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM409879;MM409879;C#CC(OC)C(=C)COC;HCKXPCFANZHEAJ-UHFFFAOYSA-N;140.18;0.84;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_Na";;;;;;;0.87;;-2.22;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM409880;MM409880;NC1=C(C=O)N=CC1=NO;XOQLIJYVJUSXSN-UHFFFAOYSA-N;139.11;-0.73;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP1_SNda";;;;;;;0.04;;-2.73;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM409881;MM409881;CC=C(CF)CCCCN;ULKJZBXUPKMCHX-UHFFFAOYSA-N;145.22;2.03;;;;;DOPC;MDCG;27;1;"MARTINI bead: C3_Nd";;;;;;;2.57;;-1.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM409882;MM409882;CCC(=O)N(N)C=NNC;ZHVBEXFDGWNDTO-UHFFFAOYSA-N;144.18;-0.74;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_P3";;;;;;;-0.33;;-2.01;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM409883;MM409883;COc1coc(C)cc1=O;WZGIPUBUWODBCC-UHFFFAOYSA-N;140.14;0.96;;;;;DOPC;MDCG;27;0;"MARTINI bead: P3_SNa";;;;;;;-1.1;;-4.2;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM409884;MM409884;CC=Cc1nc(OC)n[nH]1;VRPHVKRRFVCFGG-UHFFFAOYSA-N;139.16;0.85;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP1_SNda";;;;;;;0.04;;-2.73;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM409885;MM409885;C#CC(CO)C(=N)NCC;UINJDOFTZDZKDM-UHFFFAOYSA-N;140.19;-0.19;;;;;DOPC;MDCG;27;1;"MARTINI bead: P2_Nda";;;;;;;-0.24;;-6.34;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM409886;MM409886;N#CCn1nc(N)c(=O)o1;IZEURNGGJJSNMW-UHFFFAOYSA-N;140.1;-1.06;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP2_SP2";;;;;;;-1.34;;-4.31;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM409887;MM409887;CCC1=NOC(OC)C=C1;ZODDFWKQXWPLQV-UHFFFAOYSA-N;141.17;1.31;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC5_SNa";;;;;;;1.64;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM409888;MM409888;C=C1CC(CN)CCC1O;GCKSGQONYUABID-UHFFFAOYSA-N;141.21;0.66;;;;;DOPC;MDCG;27;1;"MARTINI bead: SC5_SC5";;;;;;;2.41;;-0.49;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM409889;MM409889;CC=Cc1ccc(CC)o1;JEJMCKRUGSUTQW-UHFFFAOYSA-N;136.19;2.88;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC4_SC4";;;;;;;3.53;;0.53;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM409890;MM409890;CCc1coc(C)nc1=N;YSJPLNCPWXXOMO-UHFFFAOYSA-N;138.17;1.02;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_SP1";;;;;;;0.81;;-0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM409891;MM409891;C#CC(CO)C(=O)NCC;RVMWZOIMPGGYFB-UHFFFAOYSA-N;141.17;-0.64;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_P3";;;;;;;-0.33;;-2.01;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM409892;MM409892;CN=C1N=CC(C=O)=C1C;WRBJTRNAWQGAGO-UHFFFAOYSA-N;136.15;0.61;;;;;DOPC;MDCG;27;0;"MARTINI bead: SN0_SNa";;;;;;;1.17;;-1.18;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM409893;MM409893;C=CC(F)C(C#N)=CNC;OBDKOSQQVQAUTE-UHFFFAOYSA-N;140.16;1.14;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nd_Na";;;;;;;0.87;;-1.88;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM409894;MM409894;CC=C(CF)CCCCF;ZTWLESZNLUKSSD-UHFFFAOYSA-N;148.2;3.04;;;;;DOPC;MDCG;27;0;"MARTINI bead: C3_C4";;;;;;;3.9;;0.47;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM409895;MM409895;CC=Cc1ccc(CO)o1;SBZGDTPVJNRKCX-UHFFFAOYSA-N;138.17;1.81;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC4_SNda";;;;;;;2.2;;0.49;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM409896;MM409896;C#CC(CN)C(=N)NNC;HRYOVNAMYNTVBX-UHFFFAOYSA-N;140.19;-1.1;;;;;DOPC;MDCG;27;1;"MARTINI bead: P4_Nd";;;;;;;-1.19;;-6.65;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM409897;MM409897;CCc1coc(C)nc1=O;OUNBZBMAHDJEJD-UHFFFAOYSA-N;139.15;0.91;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_SP1";;;;;;;0.81;;-0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM409898;MM409898;CN=C1N=CC(C#N)=C1C;MYHUITXQWJQVHZ-UHFFFAOYSA-N;133.15;0.94;;;;;DOPC;MDCG;27;0;"MARTINI bead: SN0_SN0";;;;;;;1.47;;-0.05;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM409899;MM409899;CN=CN(C=O)C=NNC;UBMJDRJKACWZDB-UHFFFAOYSA-N;142.16;-0.73;;;;;DOPC;MDCG;27;0;"MARTINI bead: P3_N0";;;;;;;-0.8;;-2.99;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM409900;MM409900;C=C(CC)C(C)(C)O;ZCZAAHKSBSLAJF-UHFFFAOYSA-N;114.19;1.72;;;;;DOPC;MDCG;27;0;"MARTINI bead: C3_Nda";;;;;;;2.57;;0.44;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM409901;MM409901;CC=Cc1ccc(CF)o1;UPNBEEADXFMDBY-UHFFFAOYSA-N;140.16;2.78;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC4_SC5";;;;;;;2.97;;0.45;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM409902;MM409902;C=C(C)C1(O)CC1C(C)C;LPXJMZAHSJWAJV-UHFFFAOYSA-N;140.23;1.97;;;;;DOPC;MDCG;27;0;"MARTINI bead: C3_SNda";;;;;;;2.57;;0.44;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM409903;MM409903;C#CC(C)(C#N)NN=CC;YITIHZZPBFNOQH-UHFFFAOYSA-N;135.17;0.5;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nd_N0";;;;;;;1.17;;-1.04;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM409904;MM409904;CNc1coc(C)nc1=O;TWZPXQUVPTUFGE-UHFFFAOYSA-N;140.14;0.38;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_SP1";;;;;;;-1.06;;-3.82;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM409905;MM409905;C=C1CC(OC)CCC1O;KBRIDWJUOIIXTF-UHFFFAOYSA-N;142.2;1.1;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC4_SC5";;;;;;;2.97;;0.45;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM409906;MM409906;CC=Cc1ccc(NC)o1;NHGDBHLHARUTJF-UHFFFAOYSA-N;137.18;2.35;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNd_SC4";;;;;;;2.2;;0.32;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM409907;MM409907;FC=C(CF)CCCCF;SLVUVKFPUFYEBQ-UHFFFAOYSA-N;152.16;2.95;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4_C5";;;;;;;2.97;;0.45;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM409908;MM409908;C=NNC(C#N)(C=O)CC;NSVGVCQPDIPZHH-UHFFFAOYSA-N;139.16;0.06;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_P1";;;;;;;0.81;;-0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM409909;MM409909;N=CNC(=O)C(=O)O;GUUIJGGBJIAAGD-UHFFFAOYSA-N;116.08;-1.21;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_P4";;;;;;;-2.01;;-9.02;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM409910;MM409910;CNc1coc(N)nc1=O;WSYCSOFPMGWTDD-UHFFFAOYSA-N;141.13;-0.34;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_SP3";;;;;;;-2.2;;-5.19;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM409911;MM409911;CC=Cc1ccc(OC)o1;ULQYLGTWNDTJKC-UHFFFAOYSA-N;138.17;2.32;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNa_SC4";;;;;;;2.2;;0.34;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM409912;MM409912;C=C1CC(OC)CCC1F;HZBAUEBBYRZRIQ-UHFFFAOYSA-N;144.19;2.08;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC4_SC4";;;;;;;3.53;;0.53;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM409913;MM409913;CC=C(CC)CCCNC;JBJYRYDZXSJERQ-UHFFFAOYSA-N;141.26;2.34;;;;;DOPC;MDCG;27;1;"MARTINI bead: C1_Nd";;;;;;;2.91;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM409914;MM409914;O=C(O)COC(=O)C(=O)O;FHYPUMOZQHCYKA-UHFFFAOYSA-N;148.07;-1.3;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_P1";;;;;;;-0.79;;-8.58;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM409915;MM409915;Cc1c(C#N)c[nH]c1N=O;JPJJGSWDMWHVHN-UHFFFAOYSA-N;135.13;1.59;;;;;DOPC;MDCG;27;0;"MARTINI bead: SN0_SNd";;;;;;;1.17;;-1.04;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM409916;MM409916;C#CC(CC)C(=C)OCC;HJUWDPVRDZTLKY-UHFFFAOYSA-N;138.21;2.2;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_C3";;;;;;;3.34;;0.48;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM409917;MM409917;COC1CCC(C)C(=O)C1;RKUTZBXRHQLXDS-UHFFFAOYSA-N;142.2;1.39;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC4_SC5";;;;;;;2.97;;0.45;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM409918;MM409918;CC=Cc1cnc(CC)o1;FOJQEXSIBRGHTQ-UHFFFAOYSA-N;137.18;2.27;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNa_SN0";;;;;;;1.17;;-1.18;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM409919;MM409919;CC=C(CN)CCCNC;HFLHBGOCFXBRFY-UHFFFAOYSA-N;142.25;0.89;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_Nd";;;;;;;0.87;;-5.33;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM409920;MM409920;C=CC(N)=NN=C(C)C=O;UDIOWKSBFGMSFT-UHFFFAOYSA-N;139.16;0.1;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_C5";;;;;;;0.54;;-1.09;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM409921;MM409921;CC(=NOCC#N)C(=O)O;JRFHPAHUPGYHCO-UHFFFAOYSA-N;142.11;-0.01;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_Nda";;;;;;;-0.24;;-8.34;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM409922;MM409922;C#CC(CC)C(=O)OCC;QPTSVBFKJOZUGY-UHFFFAOYSA-N;140.18;1.21;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_C3";;;;;;;2.57;;0.45;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM409923;MM409923;C=C1CC(CN)NCC1O;KMNJBXORWDMQMV-UHFFFAOYSA-N;142.2;-0.78;;;;;DOPC;MDCG;27;1;"MARTINI bead: SP1_SP2";;;;;;;-1.06;;-5.88;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM409924;MM409924;CC=Cc1cnc(CO)o1;XMPNOKLUJOAPHO-UHFFFAOYSA-N;139.15;1.2;;;;;DOPC;MDCG;27;0;"MARTINI bead: SN0_SP1";;;;;;;0.34;;-1.53;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM409925;MM409925;CNCCCC(=CF)CO;OPFZQKQGLXTDQB-UHFFFAOYSA-N;147.19;0.83;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1_N0";;;;;;;0.34;;-4.69;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM409926;MM409926;CC1(C#N)CC(CF)=NN1;YVDMEVPUDGUYGX-UHFFFAOYSA-N;141.15;0.59;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNd_SP1";;;;;;;0.04;;-2.63;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM409927;MM409927;C=Cc1coc(C)cc1=O;SUXVXVAICJTVPJ-UHFFFAOYSA-N;136.15;1.59;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNa_N0";;;;;;;1.17;;-1.18;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM409928;MM409928;C#CC(CF)C(=O)OCC;BCOQFMFMRZIRDW-UHFFFAOYSA-N;144.15;0.77;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_Na";;;;;;;0.87;;-2.22;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM409929;MM409929;C=C1CC(CO)OCC1O;LPETVBUFPGDNRE-UHFFFAOYSA-N;144.17;-0.32;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNda_SP1";;;;;;;0.04;;-2.73;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM409930;MM409930;CC=Cc1cnc(CF)o1;NGRDAMDPLLULHE-UHFFFAOYSA-N;141.15;2.18;;;;;DOPC;MDCG;27;0;"MARTINI bead: SN0_SNa";;;;;;;1.17;;-1.18;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM409931;MM409931;CC=C(CF)CCCNC;QPDUAZUFBIHVSO-UHFFFAOYSA-N;145.22;1.9;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_C4";;;;;;;2.2;;-2.58;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM409932;MM409932;CC(CC(=CF)CF)=NN;MTGXBTFLCQMGHJ-UHFFFAOYSA-N;148.16;1.53;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nd_C5";;;;;;;1.64;;0.02;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM409933;MM409933;Cc1cc(=O)c(C=O)co1;OUAQKBXZZLYTHU-UHFFFAOYSA-N;138.12;0.76;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNa_P2";;;;;;;-0.24;;-3.24;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM409934;MM409934;C#CC(NC)C(=O)OCC;DMGUMDPCZNVONT-UHFFFAOYSA-N;141.17;-0.23;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_P2";;;;;;;-0.24;;-3.24;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM409935;MM409935;C=C1OC(CN)CCC1C;OSXKSJOEHKXKDH-UHFFFAOYSA-N;141.21;1.27;;;;;DOPC;MDCG;27;1;"MARTINI bead: SNd_SC4";;;;;;;2.2;;-1.49;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM409936;MM409936;CC(CF)C1NC1C=O;ZDSKCLGRWGMQGW-UHFFFAOYSA-N;131.15;0.13;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4_SP2";;;;;;;1.09;;-0.37;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM409937;MM409937;CNCCCC(=CF)CF;YRAVZGAIRYZBHF-UHFFFAOYSA-N;149.18;1.81;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nda_Na";;;;;;;0.87;;-5.15;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM409938;MM409938;CNN(C=O)C=NC(C)=O;RQHYZOBIUBIIMN-UHFFFAOYSA-N;143.15;-0.85;;;;;DOPC;MDCG;27;0;"MARTINI bead: P4_Na";;;;;;;-1.19;;-4.76;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM409939;MM409939;C=Cc1coc(C)nc1=O;OKNJISJQBZYSPF-UHFFFAOYSA-N;137.14;0.99;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP1_N0";;;;;;;0.34;;-1.53;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM409940;MM409940;C#CC(OC)C(=C)OCC;USCJFJYVSAJRSQ-UHFFFAOYSA-N;140.18;1.18;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_Na";;;;;;;1.64;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM409941;MM409941;CN1CCC(CN)CC1=N;PCHRPIFPKMRSNH-UHFFFAOYSA-N;141.22;0.26;;;;;DOPC;MDCG;27;1;"MARTINI bead: SNd_SP1";;;;;;;0.04;;-7.63;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM409942;MM409942;CC=Cc1cnc(OC)o1;QLEYNCBPZIAPKZ-UHFFFAOYSA-N;139.15;1.72;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNa_SN0";;;;;;;1.17;;-1.18;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM409943;MM409943;CC=C(CC)CCCOC;BQAIEVSEUMFZPH-UHFFFAOYSA-N;142.24;2.77;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1_Na";;;;;;;2.91;;0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM409944;MM409944;C#CC1=C(C)C(=CC)C=C1;KMOXMVBCOCLTKS-UHFFFAOYSA-N;130.19;2.45;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC4_SC5";;;;;;;2.97;;0.45;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM409945;MM409945;C=Cc1coc(N)nc1=O;LYQAMBRVDXTSGO-UHFFFAOYSA-N;138.13;0.26;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP3_N0";;;;;;;-0.8;;-2.99;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM409946;MM409946;N=C1CC(CF)CCN1N;LGLNIELAQLWYNG-UHFFFAOYSA-N;145.18;0.52;;;;;DOPC;MDCG;27;1;"MARTINI bead: SP1_SNa";;;;;;;0.04;;-5.77;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM409947;MM409947;C#CC(OC)C(=O)OCC;ULXRTIYZTUHOEP-UHFFFAOYSA-N;142.15;0.2;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_Na";;;;;;;0.87;;-2.22;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM409948;MM409948;CC=Cc1ncc(CC)o1;AJBJQKPVKRVPDM-UHFFFAOYSA-N;137.18;2.27;;;;;DOPC;MDCG;27;0;"MARTINI bead: SN0_SC5";;;;;;;1.94;;0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM409949;MM409949;CCC(=CF)CCCOC;RECYBYGZPGXKRN-UHFFFAOYSA-N;146.21;2.68;;;;;DOPC;MDCG;27;0;"MARTINI bead: C2_Na";;;;;;;2.83;;0.35;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM409950;MM409950;C#CC1=C(C)C(=CF)C=C1;METJANKRUVRCNE-UHFFFAOYSA-N;134.15;2.36;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC5_SC5";;;;;;;2.41;;0.64;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM409951;MM409951;N#CC(=N)N(O)CC(=O)O;MCPVJVQLIDLOIC-UHFFFAOYSA-N;143.1;-0.74;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_P1";;;;;;;-1.06;;-8.91;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM409952;MM409952;COC1CCN(C)C(=N)O1;JPRLOKYLBQQWHK-UHFFFAOYSA-N;144.17;0.25;;;;;DOPC;MDCG;27;1;"MARTINI bead: SP1_SP1";;;;;;;-0.79;;-4.65;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM409953;MM409953;CC=Cc1ncc(CO)o1;IODJIVDDIVHDDH-UHFFFAOYSA-N;139.15;1.2;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC5_SP1";;;;;;;0.81;;-0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM409954;MM409954;C#CC(CC)C(=C)CC=C;NREFPYBLSWMNKP-UHFFFAOYSA-N;134.22;2.78;;;;;DOPC;MDCG;27;0;"MARTINI bead: C3_C2";;;;;;;4.53;;0.32;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM409955;MM409955;CC=C(CN)CCCOC;OWCQBWNIENQRQN-UHFFFAOYSA-N;143.23;1.32;;;;;DOPC;MDCG;27;1;"MARTINI bead: Na_Nd";;;;;;;0.87;;-4.13;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM409956;MM409956;C#CC1=C(C)C(=NN)C=C1;ZKNLMBLJYDXKRT-UHFFFAOYSA-N;132.17;0.82;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC5_SNd";;;;;;;1.64;;0.02;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM409957;MM409957;CC(=O)N(N)C(=O)C(=O)O;BZFGKRYNQMVPHK-UHFFFAOYSA-N;146.1;-1.68;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_P2";;;;;;;-0.24;;-8.42;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM409958;MM409958;C#CC(CN)C(=C)CC=C;ANDHEEUVLFLDLE-UHFFFAOYSA-N;135.21;1.33;;;;;DOPC;MDCG;27;1;"MARTINI bead: P2_C1";;;;;;;1.8;;-1.3;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM409959;MM409959;C=CC1CCC(C)C(=C)C1;XWTKVNZNBGMHHD-UHFFFAOYSA-N;136.24;3.16;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC2_SC1";;;;;;;4.87;;0.53;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM409960;MM409960;CC=Cc1ncc(CF)o1;ZLUJZVCJQQEEJH-UHFFFAOYSA-N;141.15;2.18;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC5_SNa";;;;;;;1.64;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM409961;MM409961;CC=C(C)C(C)(C)O;PGCNLWGJQKSWAP-UHFFFAOYSA-N;114.19;1.72;;;;;DOPC;MDCG;27;0;"MARTINI bead: C2_Nda";;;;;;;2.83;;0.57;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM409962;MM409962;C=CC1CCC(N)C=C1C;FQSPEKLKRBAQDO-UHFFFAOYSA-N;137.23;1.86;;;;;DOPC;MDCG;27;1;"MARTINI bead: SNd_SC1";;;;;;;2.91;;-0.27;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM409963;MM409963;C#CC1=C(C)C(=NO)C=C1;YTACUQDQGUKKCW-UHFFFAOYSA-N;133.15;1.34;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC5_SNda";;;;;;;1.64;;0.05;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM409964;MM409964;C=CC1CCC(F)C(=C)C1;CTYYPIMJTAELJF-UHFFFAOYSA-N;140.2;2.87;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC4_SC1";;;;;;;4.24;;0.42;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM409965;MM409965;CC1C(C)C1OC=NN;WNXXCQMTKIDCGY-UHFFFAOYSA-N;128.18;0.56;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC5_P1";;;;;;;0.81;;-0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM409966;MM409966;CC=C(CC)CCNCC;YCXDJYIPSZMUIO-UHFFFAOYSA-N;141.26;2.34;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_C1";;;;;;;2.91;;-0.85;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM409967;MM409967;C#CC(CF)C(=C)CC=C;GMYHXHWCIZGDBM-UHFFFAOYSA-N;138.19;2.34;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_C2";;;;;;;2.83;;0.35;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM409968;MM409968;C#Cc1[nH]cc(N=O)c1C;ODJVHZXCYXESGW-UHFFFAOYSA-N;134.14;1.7;;;;;DOPC;MDCG;27;0;"MARTINI bead: SN0_SNd";;;;;;;1.17;;-1.04;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM409969;MM409969;C=C1C=C(C)C(=CC)CC1;MVDKBRFHYWETSF-UHFFFAOYSA-N;134.22;3.23;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC1_SC3";;;;;;;4.61;;0.31;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM409970;MM409970;C=CC1CC(=C)C(N)CO1;CIJSHOLVRTYHGD-UHFFFAOYSA-N;139.2;0.84;;;;;DOPC;MDCG;27;1;"MARTINI bead: SP1_SC5";;;;;;;0.81;;-2.27;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM409971;MM409971;C#CC(CF)C(=C)CC=O;DNZQKEXZEJGNBH-UHFFFAOYSA-N;140.16;1.35;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_Na";;;;;;;0.87;;-2.22;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM409972;MM409972;CC=Cc1ncc(OC)o1;DRGRWOVJTXUJEL-UHFFFAOYSA-N;139.15;1.72;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNa_SC5";;;;;;;1.64;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM409973;MM409973;CCNCCC(=CF)CC;LXVFOVXHTYHQLN-UHFFFAOYSA-N;145.22;2.25;;;;;DOPC;MDCG;27;1;"MARTINI bead: C5_C5";;;;;;;2.41;;-0.78;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM409974;MM409974;C#Cc1[nH]cc(N=N)c1F;GBQBCCCRNUNLIA-UHFFFAOYSA-N;137.12;1.8;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNda_SNd";;;;;;;0.87;;-1.92;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM409975;MM409975;Cc1cn(C)cnc1=NN;KPVMZPVVPCDLFZ-UHFFFAOYSA-N;138.17;-0.5;;;;;DOPC;MDCG;27;1;"MARTINI bead: SP1_SP2";;;;;;;-1.06;;-5.89;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM409976;MM409976;C=CC1CCC(O)C(=N)N1;KGOGPYIAAAEJCJ-UHFFFAOYSA-N;140.19;0.26;;;;;DOPC;MDCG;27;1;"MARTINI bead: SP2_SNd";;;;;;;-0.24;;-6.21;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM409977;MM409977;C#CC(CC)C(=O)CC=C;COHWBXXFWRVABH-UHFFFAOYSA-N;136.19;1.79;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_C4";;;;;;;2.2;;0.34;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM409978;MM409978;CC=Cc1nnc(CC)o1;ISIGCSGLJAHVNI-UHFFFAOYSA-N;138.17;1.67;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNa_SNa";;;;;;;0.87;;-2.22;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM409979;MM409979;CC=C(CN)CCNCC;CNTLANLFOHGVBU-UHFFFAOYSA-N;142.25;0.89;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_Nd";;;;;;;0.87;;-5.28;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM409980;MM409980;C#Cc1[nH]cc(N=O)c1F;VYGLBETWGOVKNC-UHFFFAOYSA-N;138.1;1.53;;;;;DOPC;MDCG;27;0;"MARTINI bead: SN0_SNda";;;;;;;1.17;;-1.13;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM409981;MM409981;Cc1cn(N)cnc1=NN;JCCPPSPTTPGCBF-UHFFFAOYSA-N;139.16;-1.32;;;;;DOPC;MDCG;27;1;"MARTINI bead: SP1_SP3";;;;;;;-1.93;;-5.74;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM409982;MM409982;C=C1CN(C=O)CCC1C;XFJKDUKXMKMWEI-UHFFFAOYSA-N;139.2;1.04;;;;;DOPC;MDCG;27;0;"MARTINI bead: SN0_SNda";;;;;;;1.17;;-1.13;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM409983;MM409983;CC=C(CF)CCNCC;ZCSVLAVXCBKHAK-UHFFFAOYSA-N;145.22;1.9;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_C3";;;;;;;2.57;;-1.82;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM409984;MM409984;CC=Cc1nnc(CO)o1;MHXQFHMJNVKAFU-UHFFFAOYSA-N;140.14;0.6;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNa_SP2";;;;;;;-0.24;;-3.24;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM409985;MM409985;C#CC(NC)C(=C)CC=C;SDOBLACKGNTEDC-UHFFFAOYSA-N;135.21;1.34;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1_C4";;;;;;;1.37;;-1.28;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM409986;MM409986;C#CC1=C(C)C(=NC)N=C1;PQJQNOQALOHEMV-UHFFFAOYSA-N;132.17;1.05;;;;;DOPC;MDCG;27;0;"MARTINI bead: SN0_SN0";;;;;;;1.47;;-0.05;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM409987;MM409987;CCC(=O)CC1NC1C#N;UFDQSTZIMJTCEQ-UHFFFAOYSA-N;138.17;0.22;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_SP2";;;;;;;-0.24;;-3.24;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM409988;MM409988;C=C1CN(C=N)CCC1O;HVVYEOGGHWGTKR-UHFFFAOYSA-N;140.19;0.22;;;;;DOPC;MDCG;27;1;"MARTINI bead: SP2_SNd";;;;;;;-0.24;;-6.75;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM409989;MM409989;CC=Cc1nnc(CF)o1;HXASHJYKIIIQAJ-UHFFFAOYSA-N;142.13;1.57;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNa_SP1";;;;;;;0.04;;-2.54;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM409990;MM409990;C#CC(NC)C(=C)CC=O;ZPKHLNWWGPIVKX-UHFFFAOYSA-N;137.18;0.35;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1_Na";;;;;;;0.04;;-3.55;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM409991;MM409991;CCNCCC(=CF)CF;LIELFVIKNGKBTN-UHFFFAOYSA-N;149.18;1.81;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_C5";;;;;;;1.64;;-3;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM409992;MM409992;Cc1cn(O)cnc1=NO;LFGJIAYWHKVBKT-UHFFFAOYSA-N;141.13;-0.28;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP1_SP3";;;;;;;-1.93;;-4.72;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM409993;MM409993;Cn1cnc(=O)c(N)c1F;JVMYQPCFJMHKLQ-UHFFFAOYSA-N;143.12;-0.5;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP2_SNda";;;;;;;-0.24;;-3.31;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM409994;MM409994;C=NN1CCC(F)C(=C)C1;CZYROYVYFDMGBQ-UHFFFAOYSA-N;142.18;1.2;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNa_SN0";;;;;;;1.17;;-1.18;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM409995;MM409995;CC=Cc1nnc(NC)o1;WDWRAAJQHKRZTL-UHFFFAOYSA-N;139.16;1.14;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP1_SNa";;;;;;;0.04;;-2.54;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM409996;MM409996;CC=C(CC)CCOCC;CONGLNOLTFKDKE-UHFFFAOYSA-N;142.24;2.77;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_C1";;;;;;;2.91;;0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM409997;MM409997;C#CC(OC)C(=O)CC=C;BSBAQCMCSAUGPC-UHFFFAOYSA-N;138.17;0.78;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_Na";;;;;;;0.87;;-2.22;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM409998;MM409998;C#CC1NC1CC(=O)CC;KGGYXKOHKNHMTP-UHFFFAOYSA-N;137.18;0.33;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_SP3";;;;;;;-1.1;;-4.2;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM409999;MM409999;C=C1C(=N)NN=C1C#CC;CIBCPYSRCXKLEC-UHFFFAOYSA-N;133.15;0.5;;;;;DOPC;MDCG;27;0;"MARTINI bead: SN0_SP1";;;;;;;0.34;;-1.53;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM410000;MM410000;C=C1CN(C=N)NCC1F;WMVPHKAUYVUKGC-UHFFFAOYSA-N;143.17;0.31;;;;;DOPC;MDCG;27;1;"MARTINI bead: SP2_SP2";;;;;;;-1.34;;-6.25;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM410001;MM410001;CC=Cc1nnc(OC)o1;REONMPSRBNKWKO-UHFFFAOYSA-N;140.14;1.11;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP1_SNa";;;;;;;0.04;;-2.54;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM410002;MM410002;C#CC(CC)C(=C)NC=N;GYLRAIZXBRRBOL-UHFFFAOYSA-N;136.2;1.36;;;;;DOPC;MDCG;27;1;"MARTINI bead: C3_P2";;;;;;;1.46;;-3.67;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM410003;MM410003;CCOCCC(=CF)CC;QNEDLYJXDKYNRC-UHFFFAOYSA-N;146.21;2.68;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_C2";;;;;;;2.83;;0.35;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM410004;MM410004;C#CC=CNC=NN=CC;BQTHNSCUEKGZBL-UHFFFAOYSA-N;135.17;0.76;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nd_N0";;;;;;;1.17;;-1.04;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM410005;MM410005;Nc1cn(O)cnc1=NO;ACBOINBZFOSNCI-UHFFFAOYSA-N;142.12;-1.01;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP1_SP3";;;;;;;-1.93;;-4.72;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM410006;MM410006;C=C1CN(C=O)OCC1O;QPRRWMXYURMZKO-UHFFFAOYSA-N;143.14;-0.69;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP2_SP1";;;;;;;-1.06;;-3.82;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM410007;MM410007;CC=C(CN)CCOCC;RRHVOCPEGAXMCQ-UHFFFAOYSA-N;143.23;1.32;;;;;DOPC;MDCG;27;1;"MARTINI bead: Na_Nd";;;;;;;0.87;;-4.13;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM410008;MM410008;C#CC(CO)C(=C)NC=N;PHTDXTAKESYQIU-UHFFFAOYSA-N;138.17;-0.06;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nda_P2";;;;;;;-0.24;;-6.91;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM410009;MM410009;C=CC1=CC=C(C=CC)C1;VAAJNBFIRNWJHP-UHFFFAOYSA-N;132.21;3.01;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC3_SC4";;;;;;;3.9;;0.47;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM410010;MM410010;CN=C1CCC(CF)=NN1;UYSPWNIQEZMXQV-UHFFFAOYSA-N;143.17;0.72;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNd_SNa";;;;;;;0.87;;-1.88;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM410011;MM410011;C#CC1C2CC(O)(C2)C1C;LESLDTXLWSVZAB-UHFFFAOYSA-N;136.19;1.03;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC4_SNda";;;;;;;2.2;;0.49;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM410012;MM410012;C=CC1CCN(N)C(=O)C1;FSUWMPVQKBRMOP-UHFFFAOYSA-N;140.19;0.28;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP1_SN0";;;;;;;0.34;;-1.53;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM410013;MM410013;Cc1cn(C)nnc1=NN;YDQDWVFMYXIIOG-UHFFFAOYSA-N;139.16;-1.1;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP2_SP2";;;;;;;-1.34;;-4.31;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM410014;MM410014;CC=CC1=CC=C(C=O)C1;KFBOUOFZGKHAKR-UHFFFAOYSA-N;134.18;2.02;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC3_SNa";;;;;;;2.57;;0.45;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM410015;MM410015;C#CC(CC)C(=N)NC=C;MGJXYSSLOWXMQQ-UHFFFAOYSA-N;136.2;1.36;;;;;DOPC;MDCG;27;1;"MARTINI bead: C3_P2";;;;;;;1.46;;-3.26;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM410016;MM410016;CC=C(CO)CCOCC;OFUYVZTXGKRQTJ-UHFFFAOYSA-N;144.21;1.35;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_C5";;;;;;;1.64;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM410017;MM410017;C=CC(C)C(C)(C)O;UXQHFIZCRSFVOJ-UHFFFAOYSA-N;114.19;1.58;;;;;DOPC;MDCG;27;0;"MARTINI bead: C3_Nda";;;;;;;2.57;;0.44;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM410018;MM410018;CN1CCN(C=N)CC1=N;JJMSNVRAFIEPOO-UHFFFAOYSA-N;140.19;-0.18;;;;;DOPC;MDCG;27;1;"MARTINI bead: SP2_SP3";;;;;;;-2.2;;-8.5;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM410019;MM410019;CC=CC1=CC=C(C#N)C1;FUZDXHAZEXVQNL-UHFFFAOYSA-N;131.18;2.34;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC3_SN0";;;;;;;2.87;;0.37;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM410020;MM410020;Cc1cn(C)nnc1=NO;ANLLCUOFAFOQEO-UHFFFAOYSA-N;140.15;-0.59;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP2_SP2";;;;;;;-1.34;;-4.31;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM410021;MM410021;CCC1=CCC(CC)=C1C;HNUOTDAMBLQZDC-UHFFFAOYSA-N;136.24;3.45;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC1_SC3";;;;;;;4.61;;0.31;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM410022;MM410022;CC=C(CF)CCOCC;PCLJIQWSSBMJBL-UHFFFAOYSA-N;146.21;2.33;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_C3";;;;;;;2.57;;0.45;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM410023;MM410023;C#CC(CO)C(=N)NC=C;HDMJRFUWNWMLLE-UHFFFAOYSA-N;138.17;-0.06;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nda_P2";;;;;;;-0.24;;-6.01;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM410024;MM410024;CN1CCN(C=O)CC1=N;WKLQETDYLKTEPZ-UHFFFAOYSA-N;141.17;-0.63;;;;;DOPC;MDCG;27;1;"MARTINI bead: SP2_SP3";;;;;;;-2.2;;-8.41;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM410025;MM410025;NN=COCOCCF;RUMDAEAQPJAQLD-UHFFFAOYSA-N;136.13;-0.15;;;;;DOPC;MDCG;27;0;"MARTINI bead: P3_C5";;;;;;;-0.33;;-2.01;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM410026;MM410026;CN=c1nnn(O)cc1C;KDJUHNGPRFJTRI-UHFFFAOYSA-N;140.15;-0.65;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP2_SP2";;;;;;;-1.34;;-4.31;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM410027;MM410027;CCC1=CCC(CN)=C1C;YMTSHNCAYWQRBQ-UHFFFAOYSA-N;137.23;2;;;;;DOPC;MDCG;27;1;"MARTINI bead: SC3_SNd";;;;;;;2.57;;-0.94;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM410028;MM410028;CCCCCC(CC)=NN;WIYSUSSDXNOMRA-UHFFFAOYSA-N;142.25;2.29;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1_C5";;;;;;;3.68;;0.46;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM410029;MM410029;C#CC(CO)C(=N)NC=N;CPZDNAYTMKMGIT-UHFFFAOYSA-N;139.16;-0.6;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nda_P4";;;;;;;-1.19;;-6.43;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM410030;MM410030;N=CN1CCN(N)C(=N)C1;MNBYIQADBPCVLL-UHFFFAOYSA-N;141.18;-0.94;;;;;DOPC;MDCG;27;1;"MARTINI bead: SP3_SP3";;;;;;;-3.07;;-8.75;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM410031;MM410031;N#CC1=CC=C(C=NO)C1;LEAOTLRLSVRIAN-UHFFFAOYSA-N;134.14;1.23;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNda_SN0";;;;;;;1.17;;-1.13;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM410032;MM410032;Cc1cn(O)nnc1=NO;OJVAMBKCFFSKPX-UHFFFAOYSA-N;142.12;-0.89;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP2_SP3";;;;;;;-2.2;;-5.19;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM410033;MM410033;Cc1[nH]c(N)cc1N;ZCAWYKFISSCHSC-UHFFFAOYSA-N;111.15;0.49;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNd_SP1";;;;;;;0.04;;-2.63;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM410034;MM410034;CCC1=CCC(CF)=C1C;XWKDJDMBMPXZIQ-UHFFFAOYSA-N;140.2;3.01;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC3_SC4";;;;;;;3.9;;0.47;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM410035;MM410035;C#CC(CN)C(=O)NC=O;DFQJNNPBMOIRDU-UHFFFAOYSA-N;140.14;-1.53;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_P4";;;;;;;-1.19;;-6.61;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM410036;MM410036;C=CC1=NN=C(C=CC)C1;GBYKHXNNVUKVQC-UHFFFAOYSA-N;134.18;1.95;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC5_SN0";;;;;;;1.94;;0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM410037;MM410037;N=C1CN(C=O)CCN1N;MAQGFRHOHGKCQO-UHFFFAOYSA-N;142.16;-1.39;;;;;DOPC;MDCG;27;1;"MARTINI bead: SP3_SP3";;;;;;;-3.07;;-7.59;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM410038;MM410038;CCC1=C(C)C(CN)=CC1;RTOHNZSVSLOBCA-UHFFFAOYSA-N;137.23;2;;;;;DOPC;MDCG;27;1;"MARTINI bead: SC1_SNd";;;;;;;2.91;;-0.04;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM410039;MM410039;CCC12CC(C)C(O)C1C2;LEHMHILJDVTPLY-UHFFFAOYSA-N;140.23;1.8;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC2_SNda";;;;;;;2.83;;0.57;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM410040;MM410040;CCC(CCCCF)=NN;KNCXIQUEHYYYRM-UHFFFAOYSA-N;146.21;1.85;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4_Nd";;;;;;;2.2;;0.32;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM410041;MM410041;C#CC(=C)OC(C)=NNC;AIELFZRJQKZFJO-UHFFFAOYSA-N;138.17;0.7;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nd_Na";;;;;;;0.87;;-1.88;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM410042;MM410042;C=CC1=NN=C(C=CN)C1;KFNVLNYTUASJTQ-UHFFFAOYSA-N;135.17;0.85;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNd_SN0";;;;;;;1.17;;-1.04;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM410043;MM410043;Cn1cc(N)c(=NO)nn1;GXXIPPLMHOLHKH-UHFFFAOYSA-N;141.13;-1.31;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP2_SP2";;;;;;;-1.34;;-4.31;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM410044;MM410044;N=CN1CCN(O)C(=N)C1;DIMWAMQKTCRLHG-UHFFFAOYSA-N;142.16;-0.42;;;;;DOPC;MDCG;27;1;"MARTINI bead: SP3_SP3";;;;;;;-3.07;;-8.68;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM410045;MM410045;CC1=C(CN)CC=C1CN;AUYKTJGEADHSME-UHFFFAOYSA-N;138.21;0.55;;;;;DOPC;MDCG;27;1;"MARTINI bead: SNd_SNd";;;;;;;0.87;;-4.62;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM410046;MM410046;CCCCCC(CC)=NO;ODXYAIIKLLODAU-UHFFFAOYSA-N;143.23;2.81;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1_Nda";;;;;;;2.91;;0.57;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM410047;MM410047;C=CC1(O)C(C)C1C(C)C;UCMROELCLJGEQG-UHFFFAOYSA-N;140.23;1.83;;;;;DOPC;MDCG;27;0;"MARTINI bead: C3_SNda";;;;;;;2.57;;0.44;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM410048;MM410048;CC=CC1=NN=C(C=O)C1;VFIDVHVXJORZAS-UHFFFAOYSA-N;136.15;0.96;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC5_SNa";;;;;;;1.64;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM410049;MM410049;NN=c1nnn(O)cc1N;PMQLOZNUZYQJOR-UHFFFAOYSA-N;142.12;-2.13;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP3_SP2";;;;;;;-2.2;;-5.19;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM410050;MM410050;CCC1=C(C)C(CO)=CC1;QMGOLTFXLCIYHM-UHFFFAOYSA-N;138.21;2.04;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC1_SNda";;;;;;;2.91;;0.57;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM410051;MM410051;CN1CCN(C=N)CC1=O;AGZIVSNLRRMDHE-UHFFFAOYSA-N;141.17;-0.63;;;;;DOPC;MDCG;27;1;"MARTINI bead: SP2_SP3";;;;;;;-2.2;;-7.34;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM410052;MM410052;CCC(CCCCN)=NO;RAZMOCHIBJYIPW-UHFFFAOYSA-N;144.22;1.36;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nda_Nd";;;;;;;0.87;;-4.63;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM410053;MM410053;C#CC(CC)C(=O)NN=C;ZWEGOABXLKDWCL-UHFFFAOYSA-N;138.17;0.38;;;;;DOPC;MDCG;27;0;"MARTINI bead: C3_P2";;;;;;;1.46;;-0.15;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM410054;MM410054;CC=CC1=NN=C(C#N)C1;URKKCDYPFNWMMW-UHFFFAOYSA-N;133.15;1.29;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC5_SN0";;;;;;;1.94;;0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM410055;MM410055;CC1=C(CN)CC=C1CO;TWSNTOHFXILCGK-UHFFFAOYSA-N;139.2;0.58;;;;;DOPC;MDCG;27;1;"MARTINI bead: SNd_SNda";;;;;;;0.87;;-4.13;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM410056;MM410056;Nc1cn(O)nnc1=NO;OHWCZPJWVYOLEU-UHFFFAOYSA-N;143.11;-1.61;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP2_SP3";;;;;;;-2.2;;-5.19;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM410057;MM410057;CCCCCC(CN)=NO;GEZMCSIBBVODDH-UHFFFAOYSA-N;144.22;1.36;;;;;DOPC;MDCG;27;1;"MARTINI bead: C1_P3";;;;;;;0.94;;-1.07;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM410058;MM410058;C#CC(CO)C(=O)NN=C;WNTYNUFMAXNYIZ-UHFFFAOYSA-N;140.14;-1.04;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda_P2";;;;;;;-0.24;;-3.31;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM410059;MM410059;CCOC(C#CCF)=NN;OULRSZUKQRJAFA-UHFFFAOYSA-N;144.15;0.27;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda_Na";;;;;;;0.87;;-1.99;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM410060;MM410060;CCC1=C(C)C(CF)=CC1;NATIJPODRFDIPU-UHFFFAOYSA-N;140.2;3.01;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC1_SC5";;;;;;;3.68;;0.46;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM410061;MM410061;N=CC=C1CC(C=O)=NN1;YSPBFYUJAFGGCO-UHFFFAOYSA-N;137.14;0.07;;;;;DOPC;MDCG;27;1;"MARTINI bead: SNd_SP1";;;;;;;0.04;;-6.74;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM410062;MM410062;N#CCC(O)C(=O)O;XKMGQNNRTFSLJU-UHFFFAOYSA-N;115.09;-0.65;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_P2";;;;;;;-1.06;;-8.92;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM410063;MM410063;CCC(=O)C1NC1C;VFGITIATMGNABM-UHFFFAOYSA-N;113.16;0.33;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_SP1";;;;;;;0.04;;-2.54;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM410064;MM410064;C#CC(OC)C(=N)NC=O;PGOAGHLBKIKXIT-UHFFFAOYSA-N;140.14;-0.64;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_P4";;;;;;;-1.19;;-4.76;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM410065;MM410065;C=CC#CC(=NN)OCC;KPZKLIVVPSLORO-UHFFFAOYSA-N;138.17;0.48;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda_N0";;;;;;;1.17;;-1.13;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM410066;MM410066;CCC1=CCC(OC)=C1C;PZXIZKSVMFMOFW-UHFFFAOYSA-N;138.21;2.65;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC3_SC4";;;;;;;3.9;;0.47;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM410067;MM410067;N#CC1=NN=C(C=CN)C1;RWSDMLYWLMJMNQ-UHFFFAOYSA-N;134.14;0.18;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNd_SN0";;;;;;;1.17;;-1.04;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM410068;MM410068;Cn1cc(F)c(=NN)nn1;AWZZVLRGZYFJAH-UHFFFAOYSA-N;143.13;-1.27;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP1_SP2";;;;;;;-1.06;;-3.82;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM410069;MM410069;OCCCCC(CO)=NO;CNPYYAGDEDWHAT-UHFFFAOYSA-N;147.17;-0.03;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_P1";;;;;;;-0.79;;-3.13;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM410070;MM410070;C#CC(OC)C(=O)NC=C;IRICCKOCPJUZDC-UHFFFAOYSA-N;139.15;-0.11;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_P2";;;;;;;-0.24;;-3.24;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM410071;MM410071;C=NN1CCN(C)C(=N)C1;OGDHAXJNFXNGEB-UHFFFAOYSA-N;140.19;-0.17;;;;;DOPC;MDCG;27;1;"MARTINI bead: SP2_SP1";;;;;;;-1.06;;-6.78;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM410072;MM410072;COC1=C(C)C(CN)=CC1;RIPNVLXGTSGWFN-UHFFFAOYSA-N;139.2;1.2;;;;;DOPC;MDCG;27;1;"MARTINI bead: SC4_SNd";;;;;;;2.2;;-1.62;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM410073;MM410073;C=Cc1ccc(C=CC)[nH]1;ZRGXZBXBSPLXEP-UHFFFAOYSA-N;133.19;2.69;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC5_SN0";;;;;;;1.94;;0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM410074;MM410074;Cn1cc(F)c(=NO)nn1;WINVYPASTWJCNC-UHFFFAOYSA-N;144.11;-0.76;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP1_SP2";;;;;;;-1.06;;-3.82;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM410075;MM410075;CCCCCC(CF)=NN;QTBMQIQLJJTOOW-UHFFFAOYSA-N;146.21;1.85;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1_Nda";;;;;;;2.91;;0.57;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM410076;MM410076;C#CC(OC)C(=O)NC=N;KQFWBHQTRONLRJ-UHFFFAOYSA-N;140.14;-0.64;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_P4";;;;;;;-1.19;;-4.76;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM410077;MM410077;C=NN1CCN(N)C(=N)C1;RLALXPNOWBCROQ-UHFFFAOYSA-N;141.18;-0.93;;;;;DOPC;MDCG;27;1;"MARTINI bead: SP3_SP1";;;;;;;-1.93;;-5.78;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM410078;MM410078;Nn1cc(F)c(=NO)nn1;NYYDPVRVVHTXGY-UHFFFAOYSA-N;145.1;-1.58;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP1_SP3";;;;;;;-1.93;;-4.72;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM410079;MM410079;COC1=C(C)C(CO)=CC1;LEUNDUGLPOSFFH-UHFFFAOYSA-N;140.18;1.23;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC4_SNda";;;;;;;2.2;;0.49;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM410080;MM410080;CC=Cc1ccc(C#N)[nH]1;UVTQOIAUGRUWDW-UHFFFAOYSA-N;132.17;1.92;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC5_SNd";;;;;;;1.64;;0.02;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM410081;MM410081;CCC(CCCOC)=NN;ACQHANPGFVLSAJ-UHFFFAOYSA-N;144.22;1.14;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_Na";;;;;;;1.64;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM410082;MM410082;C#CC(OC)C(=O)NC=O;XGXZNYMRGQTHBQ-UHFFFAOYSA-N;141.13;-1.09;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_P4";;;;;;;-1.19;;-4.76;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM410083;MM410083;C=COC(C#CCC)=NN;BUJOFPBLTCUEEV-UHFFFAOYSA-N;138.17;0.83;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_Nda";;;;;;;1.64;;0.05;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM410084;MM410084;COC1=CCC(CF)=C1C;HJXMRLKBZLNEBA-UHFFFAOYSA-N;142.17;2.21;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNa_SC4";;;;;;;2.2;;0.34;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM410085;MM410085;C=CCCCOC=NN;MOAYZUWOCCPWOZ-UHFFFAOYSA-N;128.18;0.87;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_C3";;;;;;;1.74;;0.29;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM410086;MM410086;C=c1ccc(=CF)c(C)c1;DXHPRUPMNMMBNY-UHFFFAOYSA-N;136.17;1.11;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC4_SC4";;;;;;;3.53;;0.53;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM410087;MM410087;C#CC(CC)C(=C)OC=C;LFTFZPQVRRVSMU-UHFFFAOYSA-N;136.19;2.32;;;;;DOPC;MDCG;27;0;"MARTINI bead: C3_C5";;;;;;;3.34;;0.48;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM410088;MM410088;CCC(CCCOC)=NO;GNQBCIMAPAFCBH-UHFFFAOYSA-N;145.2;1.65;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda_Na";;;;;;;0.87;;-1.99;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM410089;MM410089;CN1CCN(C=N)NC1=N;AWDJSLSUNWVGJZ-UHFFFAOYSA-N;141.18;-0.72;;;;;DOPC;MDCG;27;1;"MARTINI bead: SP3_SP3";;;;;;;-3.07;;-9.83;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM410090;MM410090;CC=Cc1c[nH]c(C=O)n1;HDJBPWLUWFUIAP-UHFFFAOYSA-N;136.15;1.26;;;;;DOPC;MDCG;27;0;"MARTINI bead: SN0_SP1";;;;;;;0.34;;-1.53;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM410091;MM410091;Cc1cc(=N)c(=NN)o[nH]1;OTUXGUDDBUEBCR-UHFFFAOYSA-N;140.15;-0.83;;;;;DOPC;MDCG;27;1;"MARTINI bead: SNd_SP2";;;;;;;-0.24;;-4.35;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM410092;MM410092;CCc1c[nH]c(CC)c1C;ZIJJVVBHGKJQJM-UHFFFAOYSA-N;137.23;2.45;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC5_SC4";;;;;;;2.97;;0.45;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM410093;MM410093;C#CC(CF)C(=O)OC=C;XTNIIILQRXYDKW-UHFFFAOYSA-N;142.13;0.89;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_Na";;;;;;;0.87;;-2.22;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM410094;MM410094;CC(F)CC#CC=NN;ZUSKQYJOZZYDSA-UHFFFAOYSA-N;128.15;0.68;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_P1";;;;;;;0.81;;-0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM410095;MM410095;CN1CCN(C=O)NC1=N;ZGGUSGZABHIOGH-UHFFFAOYSA-N;142.16;-1.17;;;;;DOPC;MDCG;27;1;"MARTINI bead: SP3_SP3";;;;;;;-3.07;;-9.72;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM410096;MM410096;COc1coc(=O)nc1C;FJGDDYXJJDIQNV-UHFFFAOYSA-N;141.13;0.35;;;;;DOPC;MDCG;27;0;"MARTINI bead: P3_SNa";;;;;;;-1.1;;-4.2;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM410098;MM410098;COCCCC(CO)=NO;JKTNDWPLXDTVFT-UHFFFAOYSA-N;147.17;0.24;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_P2";;;;;;;-0.24;;-3.24;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM410097;MM410097;C#CC(CC)C(=O)ON=C;OSZUHUCEYYWAMN-UHFFFAOYSA-N;139.15;0.8;;;;;DOPC;MDCG;27;0;"MARTINI bead: C3_P1";;;;;;;1.74;;0.29;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM410099;MM410099;CC=Cc1c[nH]c(C#N)n1;DWRAUJWLDFCKCW-UHFFFAOYSA-N;133.15;1.31;;;;;DOPC;MDCG;27;0;"MARTINI bead: SN0_SNda";;;;;;;1.17;;-1.13;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM410100;MM410100;CCc1c[nH]c(CN)c1C;KNCZGCLUTDXKGT-UHFFFAOYSA-N;138.21;1.34;;;;;DOPC;MDCG;27;1;"MARTINI bead: SC5_SNd";;;;;;;1.64;;-1.39;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM410101;MM410101;N=CN1CCN(N)C(=N)N1;YAQSOTBSELWFLA-UHFFFAOYSA-N;142.17;-1.48;;;;;DOPC;MDCG;27;1;"MARTINI bead: SP3_SP3";;;;;;;-3.07;;-9.25;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM410102;MM410102;CC1=C(C#N)CCC(C)C1;SMPLCBURXPWDBE-UHFFFAOYSA-N;135.21;2.65;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC3_SC5";;;;;;;3.34;;0.48;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM410103;MM410103;C#CC(OC)C(=C)OC=O;SXHFNRAAWAGWMB-UHFFFAOYSA-N;140.14;0.32;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_Na";;;;;;;0.87;;-2.22;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM410104;MM410104;CCOCCC(CC)=NN;WUADUPGZRFDKSC-UHFFFAOYSA-N;144.22;1.14;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_C5";;;;;;;1.64;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM410105;MM410105;C#CCCCOC=NN;CYZMNEUEMYIHCF-UHFFFAOYSA-N;126.16;0.32;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda_N0";;;;;;;1.17;;-1.13;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM410106;MM410106;CCc1c[nH]c(CO)c1C;ZEKWNDAILKRAOF-UHFFFAOYSA-N;139.2;1.38;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC5_SNda";;;;;;;1.64;;0.05;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM410107;MM410107;N=C1NN(C=O)CCN1N;TXJVHJOKNODKSZ-UHFFFAOYSA-N;143.15;-1.93;;;;;DOPC;MDCG;27;1;"MARTINI bead: SP3_SP3";;;;;;;-3.07;;-9.09;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM410108;MM410108;Cn1c(=NN)cnoc1=O;VXCYDZNWXAYZOT-UHFFFAOYSA-N;142.12;-1.85;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP2_SP3";;;;;;;-2.2;;-5.19;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM410109;MM410109;C#CC(OC)C(=O)OC=C;RAXBUVGULOSUCT-UHFFFAOYSA-N;140.14;0.32;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_Na";;;;;;;0.87;;-2.22;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM410110;MM410110;CCOCCC(CC)=NO;GITWQHOXJVQQHW-UHFFFAOYSA-N;145.2;1.65;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_Nda";;;;;;;0.87;;-1.99;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM410111;MM410111;CC(F)(F)C(=CN)C(=O)O;LSBCAAYNTVNCSC-UHFFFAOYSA-N;151.11;0.57;;;;;DOPC;MDCG;27;0;"MARTINI bead: N0_P1";;;;;;;0.34;;-6.73;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM410112;MM410112;CCc1c[nH]c(CF)c1C;PRTSGHDZQWDFKQ-UHFFFAOYSA-N;141.19;2.36;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC5_SNda";;;;;;;1.64;;0.05;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM410113;MM410113;N=CN1CCN(O)C(=N)N1;GVDBUGDQGJVOOT-UHFFFAOYSA-N;143.15;-0.96;;;;;DOPC;MDCG;27;1;"MARTINI bead: SP3_SP3";;;;;;;-3.07;;-7.94;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM410114;MM410114;CNN=COCCC(F)F;BAIUWCOITJFVPO-UHFFFAOYSA-N;152.14;0.82;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_N0";;;;;;;0.34;;-1.53;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM410115;MM410115;C=CC1=C(C)CC(F)CC1;VPBZXUSJLNLAGT-UHFFFAOYSA-N;140.2;3.01;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC1_SC5";;;;;;;3.68;;0.46;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM410116;MM410116;CC=Cc1nc(C#N)c[nH]1;HCHQNCUUZGIEQR-UHFFFAOYSA-N;133.15;1.31;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNd_SNda";;;;;;;0.87;;-1.92;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM410117;MM410117;C#CC1CC1(O)C(C)C;IIHKQZYLWLAAJI-UHFFFAOYSA-N;124.18;1.03;;;;;DOPC;MDCG;27;0;"MARTINI bead: C3_SP1";;;;;;;1.74;;0.29;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM410118;MM410118;CCc1[nH]cc(CN)c1C;ZTKCGWPWBPMBSY-UHFFFAOYSA-N;138.21;1.34;;;;;DOPC;MDCG;27;1;"MARTINI bead: SC5_SNd";;;;;;;1.64;;-1.86;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM410119;MM410119;N=C1NN(C=O)CCN1O;VRIKWBZBHUWQGW-UHFFFAOYSA-N;144.13;-1.41;;;;;DOPC;MDCG;27;1;"MARTINI bead: SP3_SP3";;;;;;;-3.07;;-7.61;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM410120;MM410120;C#CCC(=O)C(C#C)CF;WHQPLMVEDUCEAT-UHFFFAOYSA-N;138.14;0.8;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_Na";;;;;;;0.87;;-2.22;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM410121;MM410121;CC1CCC(C#N)=C(N)C1;OSETWAOIWGVGRI-UHFFFAOYSA-N;136.2;1.54;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC3_SNd";;;;;;;2.57;;0.53;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM410122;MM410122;CCCCCC(=NC)NC;HHPCFEUAOKNFIE-UHFFFAOYSA-N;142.25;1.81;;;;;DOPC;MDCG;27;1;"MARTINI bead: C1_Nd";;;;;;;2.91;;-2.49;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM410123;MM410123;Cc1c(CN)c[nH]c1CN;GMRRAJFNUIAYAJ-UHFFFAOYSA-N;139.2;0.24;;;;;DOPC;MDCG;27;1;"MARTINI bead: SP1_SNd";;;;;;;0.04;;-4.66;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM410124;MM410124;C=Cc1nc(C=CC)n[nH]1;MPNJPESRTTWZCL-UHFFFAOYSA-N;135.17;1.48;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNda_SNda";;;;;;;0.87;;-2.07;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM410125;MM410125;N=C1ON(C=O)CCN1N;ZTGNBKZIISFTHL-UHFFFAOYSA-N;144.13;-1.5;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP2_SP3";;;;;;;-2.2;;-5.19;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM410126;MM410126;C#CCC(=C)C(C#C)NC;ONCWTPRKQYYRTN-UHFFFAOYSA-N;133.19;0.79;;;;;DOPC;MDCG;27;1;"MARTINI bead: P2_C5";;;;;;;0.54;;-2.35;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM410127;MM410127;CN=C(CCCCO)NC;ASBDRCORGQWUKP-UHFFFAOYSA-N;144.22;0.4;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_Nda";;;;;;;0.87;;-6.67;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM410128;MM410128;Cc1c(CN)c[nH]c1CO;CTPCFNOBXCICED-UHFFFAOYSA-N;140.19;0.27;;;;;DOPC;MDCG;27;1;"MARTINI bead: SP1_SNda";;;;;;;0.04;;-4.59;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM410129;MM410129;C=CC1=C(C)CC(C)OC1;IOHKVQWFQJOXPZ-UHFFFAOYSA-N;138.21;2.3;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC5_SC5";;;;;;;2.41;;0.64;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM410130;MM410130;C#CC(=C)C(=CN)C(=O)O;RIKMWMBMWZFTFW-UHFFFAOYSA-N;137.14;0.1;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_N0";;;;;;;0.34;;-6.73;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM410131;MM410131;C=C1CC(CC)CCC1=O;JPZGUZBUJKZFTK-UHFFFAOYSA-N;138.21;2.32;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC1_SNa";;;;;;;2.91;;0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM410132;MM410132;C#CCC(=C)C(C#C)OC;YHFIFRYWFQHLQB-UHFFFAOYSA-N;134.18;1.21;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_C5";;;;;;;1.64;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM410133;MM410133;CN=C(CCCCF)NC;GCBCIUNEDHKURN-UHFFFAOYSA-N;146.21;1.37;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_C4";;;;;;;2.2;;-4.18;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM410134;MM410134;Cc1c(CN)c[nH]c1CF;NTSXGLJCIZRNBU-UHFFFAOYSA-N;142.18;1.25;;;;;DOPC;MDCG;27;1;"MARTINI bead: SNd_SNda";;;;;;;0.87;;-3.79;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM410135;MM410135;C=CC1=C(C)CC(F)CO1;HONYJHPGEZFMDJ-UHFFFAOYSA-N;142.17;2.2;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC4_SNa";;;;;;;2.2;;0.34;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM410136;MM410136;CC=Cc1nc(C#N)n[nH]1;OIKABLAKOOGUMM-UHFFFAOYSA-N;134.14;0.71;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNda_SP1";;;;;;;0.04;;-2.73;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM410137;MM410137;C=C1CCC(OC)CC1=C;CTGNDEXNZJIAHP-UHFFFAOYSA-N;138.21;2.3;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC4_SC3";;;;;;;3.9;;0.47;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM410138;MM410138;CCc1[nH]cc(CO)c1C;LSFGZZPCEJPISS-UHFFFAOYSA-N;139.2;1.38;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC5_SNda";;;;;;;1.64;;0.05;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM410139;MM410139;C=CC1=C(C)CN(C)CC1;ILUOLCNBEYIUAV-UHFFFAOYSA-N;137.23;1.82;;;;;DOPC;MDCG;27;1;"MARTINI bead: SNd_SN0";;;;;;;1.17;;-3.05;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM410140;MM410140;CCCCCC(=NN)NC;RYUSTDQBPGZPOJ-UHFFFAOYSA-N;143.23;1.06;;;;;DOPC;MDCG;27;1;"MARTINI bead: C1_P1";;;;;;;2.08;;-0.93;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM410141;MM410141;C#CCC(=O)C(C#C)OC;VSLOMBHSZGVMHY-UHFFFAOYSA-N;136.15;0.23;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_N0";;;;;;;0.34;;-1.53;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM410142;MM410142;COC1CCC(=O)C(=O)C1;VTTPIIYKGSAHJS-UHFFFAOYSA-N;142.15;0.32;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC4_SNa";;;;;;;2.2;;0.34;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM410143;MM410143;C=Cc1ccc(C=CC)o1;CAJYZMFRKVXWDE-UHFFFAOYSA-N;134.18;2.96;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC4_SC5";;;;;;;2.97;;0.45;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM410144;MM410144;C=CC(C=C)C(=C)CCF;VSXXDGJSHQPTNY-UHFFFAOYSA-N;140.2;2.89;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_C2";;;;;;;3.6;;0.34;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM410145;MM410145;C#CC1CN1C(C=C)C=O;HPXHSNRKGMSMCS-UHFFFAOYSA-N;135.17;0.06;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_SP3";;;;;;;-2.2;;-5.19;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM410146;MM410146;Cc1c(CO)c[nH]c1CN;RSGIMQLXWAHVAQ-UHFFFAOYSA-N;140.19;0.27;;;;;DOPC;MDCG;27;1;"MARTINI bead: SNda_SNd";;;;;;;0.87;;-3.38;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM410147;MM410147;CCC=NN=C(N)C=O;FAERRVHRUXUREE-UHFFFAOYSA-N;127.15;-0.06;;;;;DOPC;MDCG;27;0;"MARTINI bead: C3_P3";;;;;;;0.6;;-0.8;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM410149;MM410149;CC=Cc1ccc(C=O)o1;UYTPJYFGPHZVQY-UHFFFAOYSA-N;136.15;2.13;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC4_SNa";;;;;;;2.2;;0.34;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM410148;MM410148;C=C1CNC(CC)CC1=C;MOVYHVREDYWYQH-UHFFFAOYSA-N;137.23;1.87;;;;;DOPC;MDCG;27;1;"MARTINI bead: SC5_SN0";;;;;;;1.94;;-0.59;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM410150;MM410150;C#CC1=C(C)CC(F)CC1;KZUYXZYSRZOXLY-UHFFFAOYSA-N;138.19;2.46;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC4_SC5";;;;;;;2.97;;0.45;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM410151;MM410151;C=CC(C=O)C(=C)CCF;PCMJEVMDCAEGMV-UHFFFAOYSA-N;142.17;1.9;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_Na";;;;;;;1.64;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM410152;MM410152;Cc1c(CO)c[nH]c1CO;PZVUKMJQPWMQLS-UHFFFAOYSA-N;141.17;0.31;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNda_SNda";;;;;;;0.87;;-2.07;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM410153;MM410153;CN=C(CCCCN)NO;ZHFCIBGZNKSGEM-UHFFFAOYSA-N;145.21;0.12;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_P2";;;;;;;-0.24;;-5.74;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM410154;MM410154;CC=Cc1ccc(C#N)o1;QEQPIUOMXRCWML-UHFFFAOYSA-N;133.15;2.18;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC4_SN0";;;;;;;2.5;;0.44;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM410155;MM410155;C=C1CNC(CN)CC1=C;KRIKYPKLPDAYQB-UHFFFAOYSA-N;138.21;0.42;;;;;DOPC;MDCG;27;1;"MARTINI bead: SP1_SN0";;;;;;;0.34;;-3.59;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM410156;MM410156;C=C1CCC(CC)=C(C)C1;FBALINCWGGLGKS-UHFFFAOYSA-N;136.24;3.45;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC1_SC4";;;;;;;4.24;;0.42;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM410157;MM410157;C=C(CCO)C(C=O)C=O;PGZIDSSCTYYCAZ-UHFFFAOYSA-N;142.15;-0.06;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda_P2";;;;;;;-0.24;;-3.31;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM410158;MM410158;CCc1[nH]cc(CF)c1C;XEXKOWSSLFRGFF-UHFFFAOYSA-N;141.19;2.36;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC5_SNa";;;;;;;1.64;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM410159;MM410159;CNCCCC(=NN)NN;STAURRWXQXDRAB-UHFFFAOYSA-N;145.21;-1.28;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_P3";;;;;;;-1.1;;-6.48;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM410160;MM410160;C=Cc1ncc(C=CC)o1;RQHCTBJGLMPWGS-UHFFFAOYSA-N;135.17;2.35;;;;;DOPC;MDCG;27;0;"MARTINI bead: SN0_SNa";;;;;;;1.17;;-1.18;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM410161;MM410161;C=C1COC(CC)=C(C)C1;MUWDZVUJERCYBC-UHFFFAOYSA-N;138.21;2.65;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC3_SC5";;;;;;;3.34;;0.48;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM410162;MM410162;C=C1COC(CC)CC1=C;UBQFABHVZFSGLU-UHFFFAOYSA-N;138.21;2.3;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC4_SC5";;;;;;;2.97;;0.45;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM410163;MM410163;C=CC(C=C)C(=O)CCC;UAKPYGTVFLGFTQ-UHFFFAOYSA-N;138.21;2.34;;;;;DOPC;MDCG;27;0;"MARTINI bead: C3_C5";;;;;;;3.34;;0.48;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM410164;MM410164;Cc1c(CF)c[nH]c1CN;KEEGOLAONYKFFI-UHFFFAOYSA-N;142.18;1.25;;;;;DOPC;MDCG;27;1;"MARTINI bead: SNa_SNd";;;;;;;0.87;;-3.33;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM410165;MM410165;CN=C(CCCOC)NC;GBBZRAPBPFPGOC-UHFFFAOYSA-N;144.22;0.66;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_Na";;;;;;;0.87;;-6.62;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM410166;MM410166;CC=Cc1cnc(C=O)o1;IBWWAKKTBHBLBP-UHFFFAOYSA-N;137.14;1.52;;;;;DOPC;MDCG;27;0;"MARTINI bead: SN0_SP1";;;;;;;0.34;;-1.53;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM410167;MM410167;C=C1CCN(CC)CC1=O;RZTXNNDWZQCBCK-UHFFFAOYSA-N;139.2;0.84;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC5_SP2";;;;;;;0.54;;-1.09;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM410168;MM410168;C=C1COC(CN)=C(C)C1;BSKRKJNVGZCWSS-UHFFFAOYSA-N;139.2;1.2;;;;;DOPC;MDCG;27;1;"MARTINI bead: SNda_SC5";;;;;;;1.64;;-1.32;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM410169;MM410169;C=CC(C=C)C(=O)CCF;XBMCMPATQUAUCO-UHFFFAOYSA-N;142.17;1.9;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_C5";;;;;;;1.64;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM410170;MM410170;Cc1c(CF)c[nH]c1CO;ODXABUMGACZDLG-UHFFFAOYSA-N;143.16;1.28;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNa_SNda";;;;;;;0.87;;-1.99;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM410171;MM410171;CC=Cc1cnc(C#N)o1;MTXIUSSYYRBKCW-UHFFFAOYSA-N;134.14;1.58;;;;;DOPC;MDCG;27;0;"MARTINI bead: SN0_SNa";;;;;;;1.17;;-1.18;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM410172;MM410172;CCNCCC(=NO)NC;NWDHKZWYCGBNLM-UHFFFAOYSA-N;145.21;-0.01;;;;;DOPC;MDCG;27;1;"MARTINI bead: P2_Nda";;;;;;;-0.24;;-5.16;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM410173;MM410173;C=C1CCN(CC)NC1=O;XMYNBMFFVZLYIB-UHFFFAOYSA-N;140.19;0.3;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNd_SP2";;;;;;;-0.24;;-3.16;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM410174;MM410174;CCC1=C(C)CC(=O)CO1;FSTSJMUQMNHHAJ-UHFFFAOYSA-N;140.18;1.66;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC3_SP1";;;;;;;1.74;;0.29;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM410175;MM410175;C=CC(C=O)C(=O)CCO;JPBRCVWPXKWLMP-UHFFFAOYSA-N;142.15;-0.06;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_Na";;;;;;;-0.24;;-3.24;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM410176;MM410176;CCc1c[nH]c(CN)c1N;DVTNXZPSNSQWEQ-UHFFFAOYSA-N;139.2;0.62;;;;;DOPC;MDCG;27;1;"MARTINI bead: SNd_SP1";;;;;;;0.04;;-3.8;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM410177;MM410177;CCNCCC(=NN)NN;GPAVCEROFVJHHO-UHFFFAOYSA-N;145.21;-1.28;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_P3";;;;;;;-1.1;;-5.8;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM410178;MM410178;C=Cc1cnc(C=CC)o1;ARVHBWCRLJURPE-UHFFFAOYSA-N;135.17;2.35;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC5_SN0";;;;;;;1.94;;0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM410179;MM410179;C=CC1CCC(=C)C(=C)C1;LAJONILCBGLTCU-UHFFFAOYSA-N;134.22;3.08;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC1_SC3";;;;;;;4.61;;0.31;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM410180;MM410180;C=CC1=C(C)CC(=C)CC1;NFKVJRBVYNIRMA-UHFFFAOYSA-N;134.22;3.23;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC1_SC4";;;;;;;4.24;;0.42;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM410181;MM410181;CCc1c[nH]c(CO)c1N;GOCRHBPMJXUZHH-UHFFFAOYSA-N;140.19;0.65;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC5_SP1";;;;;;;0.81;;-0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM410182;MM410182;C=CC(C#N)C(=O)CCF;NZSCSZJBJCHZMV-UHFFFAOYSA-N;141.15;1.24;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_N0";;;;;;;0.34;;-1.53;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM410183;MM410183;CC=Cc1ncc(C=O)o1;SNLZLTHFUWLFFO-UHFFFAOYSA-N;137.14;1.52;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC5_SP1";;;;;;;0.81;;-0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM410184;MM410184;CCOCCC(=NC)NC;VRJWSXOMXALJBD-UHFFFAOYSA-N;144.22;0.66;;;;;DOPC;MDCG;27;1;"MARTINI bead: Na_Nd";;;;;;;0.87;;-6.14;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM410185;MM410185;C=CC1CCC(=O)C(=C)C1;DKNNLOUZIXOAGC-UHFFFAOYSA-N;136.19;2.1;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC1_SNa";;;;;;;2.91;;0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM410186;MM410186;C=C1CCC(C#N)=C(C)C1;CFJIIFONDYPXMI-UHFFFAOYSA-N;133.19;2.57;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC5_SC4";;;;;;;2.97;;0.45;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM410187;MM410187;C=CCC(C)(O)CC;GBARKLJMQRUBKV-UHFFFAOYSA-N;114.19;1.72;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda_C4";;;;;;;2.2;;0.49;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM410188;MM410188;N#CCON=CCC(=O)O;YWSHRKCNHUPIPC-UHFFFAOYSA-N;142.11;-0.01;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda_P2";;;;;;;-0.24;;-7.95;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM410189;MM410189;CC1(C(=O)CCF)CN1;WTCOQMKHIBRWOL-UHFFFAOYSA-N;131.15;0.28;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP2_C5";;;;;;;0.54;;-1.09;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM410190;MM410190;CC=Cc1ncc(C#N)o1;BDZQPCUVEPYYPI-UHFFFAOYSA-N;134.14;1.58;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC5_SP1";;;;;;;0.81;;-0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM410191;MM410191;C=C1CC(C#N)CCC1=O;RNJWMJNYTRTALS-UHFFFAOYSA-N;135.17;1.44;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC4_SNa";;;;;;;2.2;;0.34;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM410192;MM410192;C=CC1=C(C)CC(=O)CC1;MGTLTHOEFMMXAE-UHFFFAOYSA-N;136.19;2.24;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC1_SNa";;;;;;;2.91;;0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM410193;MM410193;CCc1[nH]cc(CN)c1N;YLNVTLNVYCHKBS-UHFFFAOYSA-N;139.2;0.62;;;;;DOPC;MDCG;27;1;"MARTINI bead: SNd_SP1";;;;;;;0.04;;-4.05;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM410194;MM410194;C=NOC(C(N)=O)C(=O)O;MZGWUKJPDZGSRU-UHFFFAOYSA-N;146.1;-1.44;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_P1";;;;;;;-1.06;;-8.49;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM410195;MM410195;C=Cc1nnc(C=CC)o1;CJJZERTZSKVOOK-UHFFFAOYSA-N;136.15;1.75;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNa_SP1";;;;;;;0.04;;-2.54;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM410196;MM410196;CCOCCC(=NO)NO;YKRNDNFDRDZQSX-UHFFFAOYSA-N;148.16;0.18;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_P2";;;;;;;-0.24;;-3.24;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM410197;MM410197;C=C1CCC(C=O)CC1=O;UYUDTHWEXUPDGJ-UHFFFAOYSA-N;138.17;1.11;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNa_SC5";;;;;;;1.64;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM410198;MM410198;C=CC(C=C)C(=C)COC;XNXCGGQKZCCWOB-UHFFFAOYSA-N;138.21;2.18;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_C2";;;;;;;2.83;;0.35;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM410199;MM410199;C=CC1=C(C)CC(=N)NC1;UJWIAHDYUSIWPF-UHFFFAOYSA-N;136.2;1.46;;;;;DOPC;MDCG;27;1;"MARTINI bead: SN0_SNd";;;;;;;1.17;;-5.16;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM410200;MM410200;NCc1c[nH]c(CN)c1N;HHNBLZIRTNQQJF-UHFFFAOYSA-N;140.19;-0.49;;;;;DOPC;MDCG;27;1;"MARTINI bead: SP2_SP1";;;;;;;-1.06;;-5.39;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM410201;MM410201;CC=Cc1nnc(C=O)o1;RUPUHNATDHJBQG-UHFFFAOYSA-N;138.13;0.92;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNa_SP2";;;;;;;-0.24;;-3.24;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM410202;MM410202;CC=C(CCCCC)OC;QALNHFLQMXWIMK-UHFFFAOYSA-N;142.24;3.12;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1_C3";;;;;;;4.61;;0.31;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM410203;MM410203;C=C1CCC(C#N)CC1=O;VBHAOYXBFMYOQQ-UHFFFAOYSA-N;135.17;1.44;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNa_SC4";;;;;;;2.2;;0.34;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM410204;MM410204;C=CC(C#N)C(=C)COC;XBUZMSAQZUPDBM-UHFFFAOYSA-N;137.18;1.51;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_N0";;;;;;;1.17;;-1.18;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM410205;MM410205;C=CC1=C(C)CC(=O)NC1;FVEDUTKOTFDEFE-UHFFFAOYSA-N;137.18;1.01;;;;;DOPC;MDCG;27;0;"MARTINI bead: SN0_SP1";;;;;;;0.34;;-1.53;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM410206;MM410206;CC=Cc1nnc(C#N)o1;FCLXCNVVEZLXGQ-UHFFFAOYSA-N;135.13;0.97;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNa_SP1";;;;;;;0.04;;-2.54;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM410207;MM410207;Cn1cc(N)c(F)n1;IDHILOLBTORGMA-UHFFFAOYSA-N;115.11;0.14;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNa_SP1";;;;;;;0.04;;-2.54;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM410208;MM410208;CC=C(CCCCN)OC;UHMIBNHOFDXEFM-UHFFFAOYSA-N;143.23;1.67;;;;;DOPC;MDCG;27;1;"MARTINI bead: C3_Nd";;;;;;;2.57;;-1.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM410209;MM410209;C=C1CNC(C#N)CC1=C;DURRUDLAAOPIAU-UHFFFAOYSA-N;134.18;0.98;;;;;DOPC;MDCG;27;0;"MARTINI bead: SN0_SNd";;;;;;;1.17;;-1.04;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM410210;MM410210;C=C(COC)C(C=O)C=O;SMMHEWIQXFADNG-UHFFFAOYSA-N;142.15;0.2;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_Na";;;;;;;0.04;;-2.54;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM410211;MM410211;C#CC1=CC=C(C=CC)C1;TZYAVSLIVVUQOO-UHFFFAOYSA-N;130.19;2.45;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC3_SC5";;;;;;;3.34;;0.48;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM410212;MM410212;NCc1[nH]cc(CO)c1N;GPOSODRYZCZJKN-UHFFFAOYSA-N;141.17;-0.45;;;;;DOPC;MDCG;27;1;"MARTINI bead: SP1_SP1";;;;;;;-0.79;;-4.27;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM410213;MM410213;C=CC1=C(C)CC(=C)OC1;BSEJMUDYAJZNTI-UHFFFAOYSA-N;136.19;2.42;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC5_SNa";;;;;;;1.64;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM410214;MM410214;CC=C(CCCCF)OC;JLDOWPJKYDENAA-UHFFFAOYSA-N;146.21;2.68;;;;;DOPC;MDCG;27;0;"MARTINI bead: C3_C4";;;;;;;3.9;;0.47;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM410215;MM410215;C=CC1CC(=C)C(=C)CO1;BDFHFBFJSIKCHY-UHFFFAOYSA-N;136.19;2.07;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC5_SC5";;;;;;;2.41;;0.64;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM410216;MM410216;C=C(COC)C(C#N)C#N;OJBPNQDHCGYKKJ-UHFFFAOYSA-N;136.15;0.85;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_N0";;;;;;;0.34;;-1.53;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM410217;MM410217;CC#CCCOC=NN;NOQPDRLJKHUDGO-UHFFFAOYSA-N;126.16;0.32;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4_P1";;;;;;;1.37;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM410218;MM410218;Nc1c(CO)c[nH]c1CO;NFJREQYXKGGXIL-UHFFFAOYSA-N;142.16;-0.42;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP1_SNda";;;;;;;0.04;;-2.73;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM410219;MM410219;C=CC1=C(C)CC(=C)CO1;FFXAPLSNADOCOW-UHFFFAOYSA-N;136.19;2.42;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC4_SC5";;;;;;;2.97;;0.45;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM410220;MM410220;N=c1nc(N)c(N)no1;XFMULBJIAPKJAA-UHFFFAOYSA-N;127.11;-1.29;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP3_SP3";;;;;;;-3.07;;-6.15;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM410221;MM410221;C=C1CCC(C=O)OC1=C;OTWGKTHONNGCQV-UHFFFAOYSA-N;138.17;1.43;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC4_SNa";;;;;;;2.2;;0.34;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM410222;MM410222;C=CC(C=C)C(=O)COC;XSKBLOVLYQEETD-UHFFFAOYSA-N;140.18;1.19;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_C5";;;;;;;0.81;;-0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM410223;MM410223;C#CC1=NN=C(C=CC)C1;ZBCCCDFHWZIIKS-UHFFFAOYSA-N;132.17;1.4;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC5_SN0";;;;;;;1.94;;0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM410225;MM410225;N=CN1CC(F)C=N1;LWYDHHJXXSDCPF-UHFFFAOYSA-N;115.11;0.23;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP1_SP2";;;;;;;-1.06;;-3.82;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM410224;MM410224;C=C1COC(C#N)=C(C)C1;QCSKLZTXQDPJPD-UHFFFAOYSA-N;135.17;1.76;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNa_SC5";;;;;;;1.64;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM410226;MM410226;C=C1CCC(C#N)OC1=C;SXQNGCWNUIBSSA-UHFFFAOYSA-N;135.17;1.76;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC4_SNa";;;;;;;2.2;;0.34;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM410227;MM410227;CC=C(CCCNC)OC;ZRJVVBNSDLWHAW-UHFFFAOYSA-N;143.23;1.54;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_C3";;;;;;;2.57;;-1.87;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM410228;MM410228;C=CC(C#N)C(=O)COC;YBUNVFLCYCULLH-UHFFFAOYSA-N;139.15;0.53;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_N0";;;;;;;0.34;;-1.53;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM410229;MM410229;C=CC1=C(C)NC(=N)CC1;MPZHYCDTJLFRLU-UHFFFAOYSA-N;136.2;1.81;;;;;DOPC;MDCG;27;1;"MARTINI bead: SC5_SNd";;;;;;;1.64;;-3.98;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM410230;MM410230;C#CC1=NN=C(C=CN)C1;OXHQNHULIMSEFL-UHFFFAOYSA-N;133.15;0.29;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNd_SN0";;;;;;;1.17;;-1.04;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM410231;MM410231;CCc1c[nH]c(CN)c1O;YHHMMKCYBXIQAH-UHFFFAOYSA-N;140.19;0.74;;;;;DOPC;MDCG;27;1;"MARTINI bead: SC5_SP2";;;;;;;0.54;;-2.75;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM410232;MM410232;C=C1CCN(C=N)CC1=C;FYVJBDDCRQPAMN-UHFFFAOYSA-N;136.2;1.41;;;;;DOPC;MDCG;27;1;"MARTINI bead: SN0_SNd";;;;;;;1.17;;-4.61;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM410233;MM410233;COCCCC(=CF)OC;GMLDSMUMRZIXJI-UHFFFAOYSA-N;148.18;1.87;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_C5";;;;;;;1.64;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM410234;MM410234;CN1CC1C(=O)O;JJHKTJDYWVZTIZ-UHFFFAOYSA-N;101.11;-0.62;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP1_P1";;;;;;;-0.79;;-7.94;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM410235;MM410235;C#Cc1ccc(C=CC)[nH]1;JFSDSFNETYXAIP-UHFFFAOYSA-N;131.18;2.03;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC5_SNd";;;;;;;1.64;;0.02;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM410236;MM410236;C=CC1=C(C)NC(=O)CC1;QDUXYTNDTIGHGF-UHFFFAOYSA-N;137.18;1.36;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC5_SP1";;;;;;;0.81;;-0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM410237;MM410237;CCc1[nH]cc(CN)c1O;LYRYWQKLBXIXLR-UHFFFAOYSA-N;140.19;0.74;;;;;DOPC;MDCG;27;1;"MARTINI bead: SNda_SP1";;;;;;;0.04;;-4.75;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM410238;MM410238;CC=C(CCOCC)OC;ABEHDQRFTCAZHN-UHFFFAOYSA-N;144.21;1.96;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_C3";;;;;;;2.57;;0.45;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM410239;MM410239;C=C1CCN(C=O)CC1=C;YCADGVNLQSPTIA-UHFFFAOYSA-N;137.18;0.96;;;;;DOPC;MDCG;27;0;"MARTINI bead: SN0_SNda";;;;;;;1.17;;-1.13;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM410240;MM410240;C=CC(C=O)C(N)=NCC;DENUGHWZDRTCAN-UHFFFAOYSA-N;140.19;0.36;;;;;DOPC;MDCG;27;1;"MARTINI bead: C5_P2";;;;;;;0.54;;-3.73;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM410241;MM410241;NCc1c[nH]c(CN)c1O;LWTGBYCMGYYHCK-UHFFFAOYSA-N;141.17;-0.36;;;;;DOPC;MDCG;27;1;"MARTINI bead: SP2_SP1";;;;;;;-1.06;;-5.72;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM410242;MM410242;C#CC1=C(C)CC(=C)CC1;NNSDYEOSPLFNHG-UHFFFAOYSA-N;132.21;2.68;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC4_SC4";;;;;;;3.53;;0.53;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM410243;MM410243;CCC=CCOC=NN;OPAGBHIIXHHDFO-UHFFFAOYSA-N;128.18;0.87;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1_P3";;;;;;;0.94;;0.03;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM410244;MM410244;CCOCCC(=CF)OC;FJTXGAKUPALSAU-UHFFFAOYSA-N;148.18;1.87;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_C5";;;;;;;1.64;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM410245;MM410245;C=C1CN(C=N)CCC1=O;YEXJFOBDDCISHR-UHFFFAOYSA-N;138.17;0.42;;;;;DOPC;MDCG;27;1;"MARTINI bead: SNd_SP2";;;;;;;-0.24;;-6.55;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM410246;MM410246;CCN=C(N)C(C=O)C=O;ISLYPIXEWAZWFD-UHFFFAOYSA-N;142.16;-0.62;;;;;DOPC;MDCG;27;1;"MARTINI bead: C5_P3";;;;;;;-0.33;;-3.76;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM410247;MM410247;NCc1[nH]cc(CO)c1O;NXXKUCRZMZHVAL-UHFFFAOYSA-N;142.16;-0.33;;;;;DOPC;MDCG;27;1;"MARTINI bead: SP2_SNda";;;;;;;-0.24;;-5.66;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM410248;MM410248;C#CC1=C(C)CC(=O)CC1;QKHDKHHPQSATOJ-UHFFFAOYSA-N;134.18;1.69;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC4_SNa";;;;;;;2.2;;0.34;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM410249;MM410249;CNN=c1ncn(N)o1;BDTMYJKSKUIMOL-UHFFFAOYSA-N;129.12;-1.78;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP1_SP2";;;;;;;-1.06;;-3.82;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM410250;MM410250;NN=COCC=CCF;HNUZQZGXJMGYAI-UHFFFAOYSA-N;132.14;0.43;;;;;DOPC;MDCG;27;0;"MARTINI bead: P3_C4";;;;;;;0.23;;-1.03;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM410251;MM410251;C=C1CN(C=O)CCC1=O;OZKFUCQLCPRKIT-UHFFFAOYSA-N;139.15;-0.03;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNda_SP2";;;;;;;-0.24;;-3.31;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM410252;MM410252;C=CC(C=C)C(=O)NCC;XGGZZYZRJJLRAE-UHFFFAOYSA-N;139.2;1.11;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_C2";;;;;;;2;;0.29;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM410253;MM410253;CCc1c[nH]c(CC)c1F;GIDLELRVDCBEMU-UHFFFAOYSA-N;141.19;2.28;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC5_SC5";;;;;;;2.41;;0.64;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM410254;MM410254;C#CC1=C(C)CC(=C)CO1;NGSRIVZFSBMNQD-UHFFFAOYSA-N;134.18;1.87;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC5_SC5";;;;;;;2.41;;0.64;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM410255;MM410255;C#Cc1nc(C=CC)n[nH]1;PGHOKPWBEVAMMC-UHFFFAOYSA-N;133.15;0.82;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNda_SP1";;;;;;;0.04;;-2.73;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM410256;MM410256;C=C1CCN(C=N)CC1=O;GHGMZIBQWPQDBG-UHFFFAOYSA-N;138.17;0.42;;;;;DOPC;MDCG;27;1;"MARTINI bead: SP2_SNd";;;;;;;-0.24;;-5.81;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM410257;MM410257;CCOCCC(=NO)OC;OPLPXEUOHUAGJF-UHFFFAOYSA-N;147.17;0.85;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_P2";;;;;;;0.54;;-1.09;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM410258;MM410258;C=CC(C#N)C(=O)NCC;XIGCVQPKHXFJRV-UHFFFAOYSA-N;138.17;0.45;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_N0";;;;;;;0.34;;-1.53;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM410259;MM410259;CCc1c[nH]c(CN)c1F;LKWOUUWCLAZZEM-UHFFFAOYSA-N;142.18;1.17;;;;;DOPC;MDCG;27;1;"MARTINI bead: SC5_SNda";;;;;;;1.64;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM410260;MM410260;C#CC1=C(C)CC(=O)CO1;LPQWWTQMHGRMIO-UHFFFAOYSA-N;136.15;0.88;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC5_SP1";;;;;;;0.81;;-0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM410261;MM410261;C#Cc1ccc(C=CC)o1;UNDYMVQYVIOKOG-UHFFFAOYSA-N;132.16;2.29;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC4_SN0";;;;;;;2.5;;0.44;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM410262;MM410262;C=COC(C#CCF)=NN;AXGDUMQIOYMQMT-UHFFFAOYSA-N;142.13;0.39;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda_Na";;;;;;;0.87;;-1.99;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM410263;MM410263;CC=C(CC)CNCCC;WFMZIVZGOWKDPX-UHFFFAOYSA-N;141.26;2.34;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_C1";;;;;;;2.91;;-0.43;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM410264;MM410264;C=CC(C#N)C(=O)NNC;JPDQBHSQNXXSCV-UHFFFAOYSA-N;139.16;-0.44;;;;;DOPC;MDCG;27;0;"MARTINI bead: P4_N0";;;;;;;-0.88;;-3.74;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM410265;MM410265;CCc1[nH]cc(CN)c1F;BSVRMUWLRFEGSK-UHFFFAOYSA-N;142.18;1.17;;;;;DOPC;MDCG;27;1;"MARTINI bead: SC5_SNda";;;;;;;1.64;;-1.34;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM410266;MM410266;C#CC1=C(C)NC(=N)CC1;QXGUEPMPGDBKES-UHFFFAOYSA-N;134.18;1.25;;;;;DOPC;MDCG;27;1;"MARTINI bead: SN0_SNd";;;;;;;1.17;;-4.67;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM410267;MM410267;C#Cc1ncc(C=CC)o1;FXSOJZCKJHPRJC-UHFFFAOYSA-N;133.15;1.69;;;;;DOPC;MDCG;27;0;"MARTINI bead: SN0_SNa";;;;;;;1.17;;-1.18;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM410268;MM410268;N=CN1CCC(=O)C(=O)C1;YDLBQSGYGVGXKO-UHFFFAOYSA-N;140.14;-0.56;;;;;DOPC;MDCG;27;1;"MARTINI bead: SNd_SP2";;;;;;;-0.24;;-5.65;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM410269;MM410269;CC=C(CC)CNCCN;NEOAEQDJTMMKTG-UHFFFAOYSA-N;142.25;0.89;;;;;DOPC;MDCG;27;1;"MARTINI bead: C1_P3";;;;;;;0.94;;-2.09;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM410270;MM410270;C#CCC1NC1C(=O)O;RHLBRHHPFBMJCT-UHFFFAOYSA-N;125.13;-0.57;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_SP1";;;;;;;-0.79;;-7.94;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM410271;MM410271;CNc1[nH]cc(CN)c1C;AAFPKUVHOFYUEX-UHFFFAOYSA-N;139.2;0.82;;;;;DOPC;MDCG;27;1;"MARTINI bead: SNd_SNd";;;;;;;0.87;;-4.18;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM410272;MM410272;C#CC1=C(C)NC(=O)CC1;KZUTURKCOSLWKK-UHFFFAOYSA-N;135.17;0.8;;;;;DOPC;MDCG;27;0;"MARTINI bead: SN0_SP1";;;;;;;0.34;;-1.53;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM410273;MM410273;C#Cc1cnc(C=CC)o1;RIPORMBIHFATJG-UHFFFAOYSA-N;133.15;1.69;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC5_SN0";;;;;;;1.94;;0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM410274;MM410274;O=CN1CCC(=O)C(=O)C1;MCOFZUWSHAWLCL-UHFFFAOYSA-N;141.13;-1.01;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNda_SP2";;;;;;;-0.24;;-3.31;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM410275;MM410275;CC=C(CC)CNCCO;KZKXRBJIGPLXCM-UHFFFAOYSA-N;143.23;0.92;;;;;DOPC;MDCG;27;1;"MARTINI bead: C1_P3";;;;;;;0.94;;-1.71;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM410276;MM410276;COC(C)(C#N)CC(=O)O;WYGPNMZRNBDWOV-UHFFFAOYSA-N;143.14;0.39;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_P1";;;;;;;0.04;;-7.35;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM410277;MM410277;CNC(C)=NN=COC;FQUYPGMCBNIERO-UHFFFAOYSA-N;129.16;0.21;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_C5";;;;;;;0.54;;-1.09;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM410278;MM410278;CCC1=C(C)CC(C)C=C1;ROMICNRXMBJOFP-UHFFFAOYSA-N;136.24;3.31;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC1_SC3";;;;;;;4.61;;0.31;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM410279;MM410279;C#Cc1nnc(C=CC)o1;OMPNQMWWZOVMAC-UHFFFAOYSA-N;134.14;1.08;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNa_SP1";;;;;;;0.04;;-2.54;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM410280;MM410280;CNN=c1onc(O)o1;CFIAILITYYGKQI-UHFFFAOYSA-N;131.09;-0.99;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_SP3";;;;;;;-2.2;;-9.47;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM410281;MM410281;CCCNCC(=CF)CC;GFFMAUIBZXIGMA-UHFFFAOYSA-N;145.22;2.25;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_C3";;;;;;;2.57;;-0.95;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM410282;MM410282;C=NN1CCC(=C)C(=C)C1;OTWDCECJOGRYOO-UHFFFAOYSA-N;136.2;1.42;;;;;DOPC;MDCG;27;0;"MARTINI bead: SN0_SN0";;;;;;;1.47;;-0.05;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM410283;MM410283;CC1=C(N)N=C(N)C1=O;ZTTXVRSXGPLRLQ-UHFFFAOYSA-N;125.13;-0.88;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNd_SP1";;;;;;;0.04;;-2.63;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM410284;MM410284;CCC1=C(C)CC(N)C=C1;WRSGMZJSDYSFLH-UHFFFAOYSA-N;137.23;2;;;;;DOPC;MDCG;27;1;"MARTINI bead: SC1_SNd";;;;;;;2.91;;-0.23;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM410285;MM410285;CC#CC1=CC=C(CC)C1;IHDPMWJLFKPSIO-UHFFFAOYSA-N;132.21;2.68;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC3_SC4";;;;;;;3.9;;0.47;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM410286;MM410286;C=CC(C=C)C(=C)OCC;HVWVGGYPQRVHTQ-UHFFFAOYSA-N;138.21;2.52;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_C2";;;;;;;3.6;;0.34;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM410287;MM410287;CC=C(CN)CNCCC;LTLVJJLRRMBIRC-UHFFFAOYSA-N;142.25;0.89;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_Nd";;;;;;;0.87;;-4.56;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM410288;MM410288;CCC#CC(=NN)OC=O;JFMDXFHXICSPCM-UHFFFAOYSA-N;140.14;-0.16;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_C5";;;;;;;0.81;;-0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM410289;MM410289;CCC1=C(C)CN(C)N=C1;FTQFRFJTZCNANC-UHFFFAOYSA-N;138.21;1.64;;;;;DOPC;MDCG;27;0;"MARTINI bead: SN0_SN0";;;;;;;1.47;;-0.05;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM410290;MM410290;CNc1[nH]cc(CN)c1N;WZIHRXMXLXCRFY-UHFFFAOYSA-N;140.19;0.1;;;;;DOPC;MDCG;27;1;"MARTINI bead: SNd_SP2";;;;;;;-0.24;;-4.86;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM410291;MM410291;CC#CC1=CC=C(CN)C1;ZZNDXWBCXAWEDQ-UHFFFAOYSA-N;133.19;1.22;;;;;DOPC;MDCG;27;1;"MARTINI bead: SC4_SNd";;;;;;;2.2;;-1.65;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM410292;MM410292;CC=C(CN)CNCCN;MWRTZDUYQXHNIH-UHFFFAOYSA-N;143.23;-0.56;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_P3";;;;;;;-1.1;;-6.2;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM410293;MM410293;C=CC(C=O)C(=C)OCC;XVYLXHMJBKEVMZ-UHFFFAOYSA-N;140.18;1.54;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_Na";;;;;;;1.64;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM410294;MM410294;C=CC#CC(=NN)OC=C;VVXOMCZZGWVXQV-UHFFFAOYSA-N;136.15;0.61;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda_N0";;;;;;;1.17;;-1.13;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM410295;MM410295;C=CC1=C(C)CC(N)C=C1;NPVSPIFPVRNGOU-UHFFFAOYSA-N;135.21;1.78;;;;;DOPC;MDCG;27;1;"MARTINI bead: SC1_SNd";;;;;;;2.91;;-0.23;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM410296;MM410296;CNc1[nH]cc(CO)c1N;QMNLUVGDNSJLHD-UHFFFAOYSA-N;141.17;0.13;;;;;DOPC;MDCG;27;1;"MARTINI bead: SNd_SP1";;;;;;;0.04;;-3.82;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM410297;MM410297;CC#CC1=CC=C(CO)C1;ZFMXHVWPAYQCEN-UHFFFAOYSA-N;134.18;1.26;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC4_SNda";;;;;;;2.2;;0.49;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM410298;MM410298;CCCNCC(=CF)CN;DNYMDOQRPGGOHN-UHFFFAOYSA-N;146.21;0.8;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_P1";;;;;;;0.04;;-4.78;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM410299;MM410299;CC#CCC(C=O)=NOC;OHDUQCZDWYBXHE-UHFFFAOYSA-N;139.15;0.6;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_C4";;;;;;;1.37;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM410300;MM410300;C=CC(C#N)C(=C)OCC;XNFGKQMPUARSRI-UHFFFAOYSA-N;137.18;1.86;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_N0";;;;;;;1.94;;0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM410301;MM410301;C=C1C=CC(CC)=C(C)C1;DJCXYNRGMZHGNW-UHFFFAOYSA-N;134.22;3.23;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC1_SC4";;;;;;;4.24;;0.42;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM410302;MM410302;CCc1nc(N)c(C)o1;ZHZIQJWUOFIHLR-UHFFFAOYSA-N;126.16;1.13;;;;;DOPC;MDCG;27;0;"MARTINI bead: SN0_SNda";;;;;;;1.17;;-1.13;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM410303;MM410303;CC#CC1=CC=C(CF)C1;QGFAQSIXNODBSR-UHFFFAOYSA-N;136.17;2.24;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC4_SC5";;;;;;;2.97;;0.45;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM410304;MM410304;C=C1CNN(C=N)CC1=C;MVPIGRJSRSFPDO-UHFFFAOYSA-N;137.19;0.53;;;;;DOPC;MDCG;27;1;"MARTINI bead: SP2_SP2";;;;;;;-1.34;;-6.21;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM410305;MM410305;C=C(OCC)C(C#N)C#N;UPTYWFFUTLBRPW-UHFFFAOYSA-N;136.15;1.2;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_P2";;;;;;;0.54;;-1.09;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM410306;MM410306;NCCNCC(=CF)CN;QFSHIVMMDSEDCH-UHFFFAOYSA-N;147.2;-0.65;;;;;DOPC;MDCG;27;1;"MARTINI bead: P3_P1";;;;;;;-1.93;;-6.91;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM410307;MM410307;COc1nnc(=N)oc1C;PKVDBRARLVFFIG-UHFFFAOYSA-N;141.13;-0.13;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP2_SP3";;;;;;;-2.2;;-5.19;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM410308;MM410308;CC#CC1=CC=C(OC)C1;DZVHQOZCEDNTIB-UHFFFAOYSA-N;134.18;1.87;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC5_SC4";;;;;;;2.97;;0.45;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM410309;MM410309;C=C1CNN(C=O)CC1=C;SGDRPJAYYLNXKI-UHFFFAOYSA-N;138.17;0.08;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP2_SP2";;;;;;;-1.34;;-4.31;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM410310;MM410310;CNc1[nH]cc(CN)c1O;IBBCEKICUJFXCZ-UHFFFAOYSA-N;141.17;0.22;;;;;DOPC;MDCG;27;1;"MARTINI bead: SNd_SP2";;;;;;;-0.24;;-5.42;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM410311;MM410311;CC=C(CO)CNCCC;CWUNZFFDSJHKBL-UHFFFAOYSA-N;143.23;0.92;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_Nda";;;;;;;0.87;;-4.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM410312;MM410312;C=CC(C=C)C(=O)OCC;PBKRBQBDHGTLBU-UHFFFAOYSA-N;140.18;1.54;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_C2";;;;;;;2.83;;0.35;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM410313;MM410313;NN=CN(N)C=O;WLUOCJNDHVSUFL-UHFFFAOYSA-N;102.1;-1.78;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_P4";;;;;;;-2.01;;-5.13;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM410314;MM410314;CC#CC1=NN=C(CC)C1;FLVYXTNJXWRCBM-UHFFFAOYSA-N;134.18;1.62;;;;;DOPC;MDCG;27;0;"MARTINI bead: SN0_SN0";;;;;;;1.47;;-0.05;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM410315;MM410315;C=C1CON(C=O)CC1=C;YBBIJNVMQLQTGL-UHFFFAOYSA-N;139.15;0.5;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP1_SP1";;;;;;;-0.79;;-3.13;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM410316;MM410316;CCc1c[nH]c(OC)c1C;DVPQASFCYUBCAQ-UHFFFAOYSA-N;139.2;1.89;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC5_SNda";;;;;;;1.64;;0.05;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM410317;MM410317;C=CC(C#N)C(=O)OCC;WILJGIKCBRGLLL-UHFFFAOYSA-N;139.15;0.88;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_N0";;;;;;;1.17;;-1.18;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM410318;MM410318;CC=C(CO)CNCCO;PUTNRBHBJGOLHM-UHFFFAOYSA-N;145.2;-0.49;;;;;DOPC;MDCG;27;1;"MARTINI bead: C5_P3";;;;;;;-0.33;;-3.42;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM410319;MM410319;COc1nnc(=O)oc1N;WICPITRGTPRNNP-UHFFFAOYSA-N;143.1;-0.98;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP3_SP2";;;;;;;-2.2;;-5.19;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM410320;MM410320;CC#CC1=NN=C(CO)C1;UHHXIZSQVURBKS-UHFFFAOYSA-N;136.15;0.2;;;;;DOPC;MDCG;27;0;"MARTINI bead: SN0_SNda";;;;;;;1.17;;-1.13;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM410321;MM410321;C=C1CCN(C=N)NC1=N;RURQZXCVZUNVDJ-UHFFFAOYSA-N;138.17;0.34;;;;;DOPC;MDCG;27;1;"MARTINI bead: SP2_SP2";;;;;;;-1.34;;-6.97;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM410322;MM410322;COc1[nH]cc(CN)c1C;WXEILUUMGOFCBE-UHFFFAOYSA-N;140.19;0.79;;;;;DOPC;MDCG;27;1;"MARTINI bead: SNda_SNd";;;;;;;0.87;;-3.75;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM410323;MM410323;NC(C(=O)O)=C(C=O)CO;ADUWAXZVUNXPEY-UHFFFAOYSA-N;145.11;-1.53;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_P2";;;;;;;-1.34;;-9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM410324;MM410324;N#CC(CO)OCC(=O)O;AOCQFYQHTCLTOF-UHFFFAOYSA-N;145.11;-1.03;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_P2";;;;;;;-1.34;;-9.45;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM410325;MM410325;OCCNCC(=CF)CO;GDKBKMFWUAKECK-UHFFFAOYSA-N;149.17;-0.59;;;;;DOPC;MDCG;27;1;"MARTINI bead: P3_Nda";;;;;;;-1.1;;-4.98;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM410326;MM410326;CC#CC1=NN=C(CF)C1;QXZIWOVDAXYIQP-UHFFFAOYSA-N;138.15;1.18;;;;;DOPC;MDCG;27;0;"MARTINI bead: SN0_SNa";;;;;;;1.17;;-1.18;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM410327;MM410327;C=C1CCN(C=O)NC1=N;BVVOSCXAEYIRLL-UHFFFAOYSA-N;139.16;-0.11;;;;;DOPC;MDCG;27;1;"MARTINI bead: SP2_SP2";;;;;;;-1.34;;-6.67;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM410328;MM410328;COc1[nH]cc(CO)c1C;PUSODRQXJOMFHG-UHFFFAOYSA-N;141.17;0.82;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNda_SNda";;;;;;;0.87;;-2.07;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM410329;MM410329;COc1nnc(=N)oc1F;XBVGATGPLVIQAT-UHFFFAOYSA-N;145.09;-0.3;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP2_SP3";;;;;;;-2.2;;-5.19;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM410330;MM410330;C=CN(C=O)C(=C)CCO;SKJXYYCGYGOKJD-UHFFFAOYSA-N;141.17;0.48;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_N0";;;;;;;0.06;;-2.21;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM410331;MM410331;CC=C(CF)CNCCC;WDPYZDAMONLRCH-UHFFFAOYSA-N;145.22;1.9;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_C4";;;;;;;2.2;;-1.71;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM410332;MM410332;CC#CC1=NN=C(OC)C1;GKOODOVMMBDGQC-UHFFFAOYSA-N;136.15;0.81;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNa_SN0";;;;;;;1.17;;-1.18;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM410333;MM410333;N=CN1CCC(=O)C(=N)N1;GPABUQVHJPNAAS-UHFFFAOYSA-N;140.15;-0.65;;;;;DOPC;MDCG;27;1;"MARTINI bead: SP2_SP3";;;;;;;-2.2;;-6.71;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM410334;MM410334;C=C(C)C(=C)C(C)(O)CC;JPKIPOBVJHOJAN-UHFFFAOYSA-N;140.23;2.28;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda_C3";;;;;;;2.57;;0.44;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM410335;MM410335;C=C(CCO)N(C=N)C=N;MZRPUDWUDICEDI-UHFFFAOYSA-N;141.17;0.4;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1_P2";;;;;;;-1.06;;-5.34;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM410336;MM410336;COc1nnc(=O)oc1F;BOYRDNQYFDQGCR-UHFFFAOYSA-N;146.08;-0.42;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP2_SP2";;;;;;;-1.34;;-4.31;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM410337;MM410337;CC=C(CF)CNCCN;UNCQQRQVIHMMPL-UHFFFAOYSA-N;146.21;0.45;;;;;DOPC;MDCG;27;1;"MARTINI bead: C4_P3";;;;;;;0.23;;-3.16;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM410338;MM410338;CC#Cc1ccc(CC)[nH]1;LBTMGEVRLGDCQH-UHFFFAOYSA-N;133.19;1.95;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC5_SC5";;;;;;;2.41;;0.64;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM410339;MM410339;CNN=CN(NC)C(C)=O;VUEBFBWMGZYTEU-UHFFFAOYSA-N;144.18;-0.87;;;;;DOPC;MDCG;27;0;"MARTINI bead: P3_Na";;;;;;;-1.1;;-4.2;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM410340;MM410340;C=C(CCN)N(C=N)C=O;DBLQGFCGMDVVBF-UHFFFAOYSA-N;141.17;-0.09;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1_P2";;;;;;;-1.06;;-6.14;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM410341;MM410341;COc1[nH]cc(CN)c1N;XBKNGLIBBOHDED-UHFFFAOYSA-N;141.17;0.06;;;;;DOPC;MDCG;27;1;"MARTINI bead: SNda_SP2";;;;;;;-0.24;;-4.61;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM410342;MM410342;C=CC1=C(C)CC(=C)C=C1;CDAUJXYBEDGUPQ-UHFFFAOYSA-N;132.21;3.01;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC1_SC4";;;;;;;4.24;;0.42;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM410343;MM410343;CCCNCC(=CF)CF;MVOAUFHVXYRVFF-UHFFFAOYSA-N;149.18;1.81;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_C5";;;;;;;1.64;;-1.78;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM410344;MM410344;CC#Cc1ccc(CN)[nH]1;YIYJRRMGJPUZAE-UHFFFAOYSA-N;134.18;0.84;;;;;DOPC;MDCG;27;1;"MARTINI bead: SC5_SP1";;;;;;;0.81;;-1.92;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM410345;MM410345;C=C1CCN(C=N)NC1=O;PRGYCDBQFNSKGR-UHFFFAOYSA-N;139.16;-0.11;;;;;DOPC;MDCG;27;1;"MARTINI bead: SP2_SP2";;;;;;;-1.34;;-5.71;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM410346;MM410346;C=C(F)CCOC=NNC;PYCBXAUQOJVQAG-UHFFFAOYSA-N;146.17;1.04;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_C5";;;;;;;0.81;;-0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM410347;MM410347;COc1[nH]cc(CO)c1N;BVYPXIMHISBKNH-UHFFFAOYSA-N;142.16;0.1;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNda_SP1";;;;;;;0.04;;-2.73;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM410348;MM410348;NCCNCC(=CF)CF;GXLGJFSAVGDLTI-UHFFFAOYSA-N;150.17;0.36;;;;;DOPC;MDCG;27;1;"MARTINI bead: P3_C5";;;;;;;-0.33;;-4.04;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM410349;MM410349;CCC1=C(C)CC(C)=CC1;WBCOFKCPODYNKE-UHFFFAOYSA-N;136.24;3.45;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC1_SC4";;;;;;;4.24;;0.42;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM410350;MM410350;C=C1CCN(C=O)NC1=O;XLOWIBOQDQUIGV-UHFFFAOYSA-N;140.14;-0.56;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP2_SP2";;;;;;;-1.34;;-4.31;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM410351;MM410351;CC#Cc1ccc(CO)[nH]1;QJOISQLVDANARB-UHFFFAOYSA-N;135.17;0.88;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC5_SNda";;;;;;;1.64;;0.05;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM410352;MM410352;CC1(C)N=C(C#N)NC1=N;YHLDHLZYUBTPHS-UHFFFAOYSA-N;136.16;0.27;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP1_SP1";;;;;;;-0.79;;-3.13;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM410353;MM410353;C=CN(C=N)C(=N)CCO;CXDWMANHSGHJFF-UHFFFAOYSA-N;141.17;0.4;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1_P2";;;;;;;-1.06;;-5.63;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM410355;MM410355;CCC1=C(C)CC(C)=CO1;JUZFGVYHWSUXAH-UHFFFAOYSA-N;138.21;2.99;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC3_SC5";;;;;;;3.34;;0.48;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM410354;MM410354;CCC(CNCCN)=NO;HQNUAUUEUNVCOG-UHFFFAOYSA-N;145.21;-0.23;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nda_P3";;;;;;;-1.1;;-5.73;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM410356;MM410356;N=CN1CCC(=O)C(=O)N1;VOCVGYZZIZMHJM-UHFFFAOYSA-N;141.13;-1.1;;;;;DOPC;MDCG;27;1;"MARTINI bead: SP2_SP2";;;;;;;-1.34;;-5.55;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM410357;MM410357;CC#Cc1ccc(CF)[nH]1;JMHNTGUKAIVKJF-UHFFFAOYSA-N;137.16;1.86;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC5_SNa";;;;;;;1.64;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM410358;MM410358;CNc1c[nH]c(CN)c1C;GWMJOLORPWOFGI-UHFFFAOYSA-N;139.2;0.82;;;;;DOPC;MDCG;27;1;"MARTINI bead: SNd_SNd";;;;;;;0.87;;-3.54;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM410359;MM410359;CNN=COCC=C(C)C;PUFHBBXBKZTUBF-UHFFFAOYSA-N;142.2;1.13;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_C4";;;;;;;1.37;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM410360;MM410360;CC1=COC(CN)=C(C)C1;IVGQIBIKLJINIW-UHFFFAOYSA-N;139.2;1.54;;;;;DOPC;MDCG;27;1;"MARTINI bead: SC5_SNda";;;;;;;1.64;;-1.3;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM410361;MM410361;CN=C(CNCCN)NC;NKNKCGHQSQPMOL-UHFFFAOYSA-N;144.22;-1.22;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1_P3";;;;;;;-1.93;;-8.02;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM410362;MM410362;C#CC1CCC(=C)C(=C)C1;CZVCUXQHWVHINB-UHFFFAOYSA-N;132.21;2.53;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC3_SC3";;;;;;;4.27;;0.2;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM410363;MM410363;C=CC=CCOC=NN;GPZAETQITOEWHW-UHFFFAOYSA-N;126.16;0.65;;;;;DOPC;MDCG;27;0;"MARTINI bead: P3_C1";;;;;;;0.94;;0.03;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM410364;MM410364;N=CN(C=O)C(=N)CCN;MSZOODJUMACJCO-UHFFFAOYSA-N;142.16;-0.62;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1_P4";;;;;;;-2.01;;-7.33;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM410365;MM410365;C=NN=C(C)CC(=C)C=O;OMTMBSKMENVESI-UHFFFAOYSA-N;138.17;1.21;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_Na";;;;;;;1.64;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM410366;MM410366;CCC1=C(C)CC(F)=CO1;MCRKMUXKYQNMLL-UHFFFAOYSA-N;142.17;2.9;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC3_SN0";;;;;;;2.87;;0.37;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM410367;MM410367;CN=C(CNCCO)NC;KNSRNQJZDIGNKQ-UHFFFAOYSA-N;145.21;-1.18;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1_P2";;;;;;;-1.06;;-7.23;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM410368;MM410368;CC=C1CC2C(C)C2(O)C1;BPPPVCXAOQFIRI-UHFFFAOYSA-N;138.21;1.72;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC1_SNda";;;;;;;2.91;;0.57;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM410369;MM410369;CC#Cc1ccc(OC)[nH]1;ISNQDNRFISWENM-UHFFFAOYSA-N;135.17;1.39;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNa_SC5";;;;;;;1.64;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM410370;MM410370;CNN=COCC=C(F)F;GCCVDIPRDWSYOE-UHFFFAOYSA-N;150.13;0.95;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_C4";;;;;;;1.37;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM410371;MM410371;C=CC1=C(C)CC(C)=CO1;ROHIHQDDRZIOIV-UHFFFAOYSA-N;136.19;2.77;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC5_SC4";;;;;;;2.97;;0.45;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM410372;MM410372;C#CCn1nc(N)c(=O)o1;HMVVKRQNKSSCOX-UHFFFAOYSA-N;139.11;-0.95;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP2_SP2";;;;;;;-1.34;;-4.31;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM410373;MM410373;CN=C(CNCCF)NC;BSLCWJKFGSFBRC-UHFFFAOYSA-N;147.2;-0.21;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1_P1";;;;;;;-0.79;;-6.58;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM410374;MM410374;CC=C1CCC(N)C(N)C1;KAPPPTOMVPSNHT-UHFFFAOYSA-N;140.23;0.77;;;;;DOPC;MDCG;27;1;"MARTINI bead: SC1_SP1";;;;;;;2.08;;-0.93;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM410375;MM410375;C=NN=CCOC=NN;AVBCPRKCIZLDLS-UHFFFAOYSA-N;128.14;-0.41;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_N0";;;;;;;0.34;;-1.53;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM410376;MM410376;N=CN(C=O)C(=N)CCF;QULQLYFPIOSUSP-UHFFFAOYSA-N;145.14;0.39;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_P4";;;;;;;-0.41;;-2.78;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM410377;MM410377;CC1=COC(C#N)=C(C)C1;NHIUBLAAQSBDAX-UHFFFAOYSA-N;135.17;2.11;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC5_SNa";;;;;;;1.64;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM410378;MM410378;CNC(CNCCO)=NN;HLWOUSJFRVKPGI-UHFFFAOYSA-N;146.19;-1.94;;;;;DOPC;MDCG;27;1;"MARTINI bead: P3_P2";;;;;;;-2.2;;-6.34;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM410379;MM410379;CC#Cc1nc(C)c(N)o1;SOTVENYBOXFXLO-UHFFFAOYSA-N;136.15;0.94;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC5_SNd";;;;;;;1.64;;0.02;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM410380;MM410380;NN=c1oc(N)coc1=O;IFWIIBVPQAYBAN-UHFFFAOYSA-N;143.1;-1.41;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP1_SP2";;;;;;;-1.06;;-3.82;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM410381;MM410381;CCC#CCOC=NN;DUYPMFFCMNMXQR-UHFFFAOYSA-N;126.16;0.32;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_P1";;;;;;;0.81;;-0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM410382;MM410382;C#CC1=C(C)CC(C)=CO1;BLXXKXZVODBKJZ-UHFFFAOYSA-N;134.18;2.22;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC5_SC5";;;;;;;2.41;;0.64;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM410383;MM410383;N=C(CCO)N(C=O)C=O;CSNFKGMRYRYDIR-UHFFFAOYSA-N;144.13;-1.04;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_P4";;;;;;;-2.01;;-5.13;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM410384;MM410384;CN=C(CNCCN)NO;WIVFXPSTYADWCO-UHFFFAOYSA-N;146.19;-1.46;;;;;DOPC;MDCG;27;1;"MARTINI bead: P2_P3";;;;;;;-2.2;;-6.88;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM410385;MM410385;CNc1c[nH]c(CN)c1N;SMGDVLRANZBACH-UHFFFAOYSA-N;140.19;0.1;;;;;DOPC;MDCG;27;1;"MARTINI bead: SNd_SP2";;;;;;;-0.24;;-4.26;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM410386;MM410386;CCCC=COC=NN;QFNJYCDFXSXDBH-UHFFFAOYSA-N;128.18;1.22;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1_P1";;;;;;;2.08;;0.48;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM410387;MM410387;CC1CC(=NN)NCC1O;RZOXQZRJGINOEV-UHFFFAOYSA-N;143.19;-0.75;;;;;DOPC;MDCG;27;1;"MARTINI bead: SNd_SP1";;;;;;;0.04;;-4.09;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM410388;MM410388;C#CC1=C(C)CC(F)=CO1;WCISKNUFYLZMHH-UHFFFAOYSA-N;138.14;2.12;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC5_SN0";;;;;;;1.94;;0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM410389;MM410389;N=C(CCF)N(C=O)C=O;QUMSWOZEFVKFBX-UHFFFAOYSA-N;146.12;-0.06;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_P4";;;;;;;-0.41;;-2.78;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM410390;MM410390;CNc1c[nH]c(CO)c1N;CDYSMDAVELKWQK-UHFFFAOYSA-N;141.17;0.13;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNd_SP1";;;;;;;0.04;;-2.63;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM410391;MM410391;NCCNCC(=NO)NO;HKYWWIGMYJYVGJ-UHFFFAOYSA-N;148.17;-1.7;;;;;DOPC;MDCG;27;1;"MARTINI bead: P4_P2";;;;;;;-2.29;;-7.46;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM410392;MM410392;CC#Cc1cnc(OC)[nH]1;ZBPVTGLGYSRUKA-UHFFFAOYSA-N;136.15;0.79;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNda_SNd";;;;;;;0.87;;-1.92;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM410393;MM410393;C=C1CNC(=NC)CC1C;UYJCLFSLBHAFIV-UHFFFAOYSA-N;138.21;1.2;;;;;DOPC;MDCG;27;1;"MARTINI bead: SC5_SN0";;;;;;;1.94;;-2.58;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM410394;MM410394;CCC1=C(C)C=C(C)CC1;LEVDHANZSQRBIU-UHFFFAOYSA-N;136.24;3.45;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC1_SC4";;;;;;;4.24;;0.42;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM410395;MM410395;C=CN(C=C)C(=O)CCF;HTWPULNBGBWNMO-UHFFFAOYSA-N;143.16;1.46;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_P1";;;;;;;0.81;;-0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM410396;MM410396;Cn1cc(N)c(N)nc1=O;DEXYUQXAPUYNQB-UHFFFAOYSA-N;140.15;-1.06;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP1_SP1";;;;;;;-0.79;;-3.13;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM410397;MM410397;CC=C(CNCCC)OC;OBXPNPOLWDPFHV-UHFFFAOYSA-N;143.23;1.54;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_C3";;;;;;;2.57;;-0.5;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM410398;MM410398;C=CCC=COC=NN;FODLSZBYHKFYJS-UHFFFAOYSA-N;126.16;0.99;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_C3";;;;;;;1.74;;0.29;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM410399;MM410399;C=CC1=C(C)C=C(C)CC1;YSMCTXQFFZMAST-UHFFFAOYSA-N;134.22;3.23;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC4_SC1";;;;;;;4.24;;0.42;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM410400;MM410400;CN=C1CC(C)C(=O)CN1;ULEKOOOTVDZROY-UHFFFAOYSA-N;140.19;0.21;;;;;DOPC;MDCG;27;1;"MARTINI bead: SC5_SP1";;;;;;;0.81;;-3.34;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM410401;MM410401;CNc1c[nH]c(NC)c1N;VIJUJSRPHAPUNG-UHFFFAOYSA-N;140.19;0.68;;;;;DOPC;MDCG;27;1;"MARTINI bead: SNd_SNd";;;;;;;0.87;;-3.42;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM410402;MM410402;CCNN=COC=C(C)C;JALQNCUSJSMHKT-UHFFFAOYSA-N;142.2;1.48;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_C4";;;;;;;1.37;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM410403;MM410403;CCCNCC(=CF)OC;LUYGSLPWQSRJEQ-UHFFFAOYSA-N;147.19;1.44;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_N0";;;;;;;1.17;;-2.35;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM410404;MM410404;C#CCC=COC=NN;XANSXVXAOKBSPZ-UHFFFAOYSA-N;124.14;0.44;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_C5";;;;;;;0.81;;-0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM410405;MM410405;O=C1CNC(=NO)CC1O;QQJNNYRIAJCYAL-UHFFFAOYSA-N;144.13;-1.3;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNda_SP2";;;;;;;-0.24;;-3.31;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM410406;MM410406;CC1=CC(C)=C(C#N)CC1;IBARJAIEVZTEHL-UHFFFAOYSA-N;133.19;2.57;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC4_SC5";;;;;;;2.97;;0.45;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM410407;MM410407;C=CN(C=O)C(=O)CCO;DRMBHAXEWJXHPA-UHFFFAOYSA-N;143.14;-0.5;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_P2";;;;;;;-1.06;;-3.82;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM410408;MM410408;CNC(C)=NN=C(C)OC;DHJHUGYQPZBGRG-UHFFFAOYSA-N;143.19;0.6;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nd_Na";;;;;;;0.87;;-1.88;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM410409;MM410409;NN=COC=CC=CF;MPKJLIMBKQTDKC-UHFFFAOYSA-N;130.12;0.9;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_C4";;;;;;;1.37;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM410410;MM410410;COC(=CF)CNCCN;RVBFOSVTKAEFPZ-UHFFFAOYSA-N;148.18;-0.01;;;;;DOPC;MDCG;27;1;"MARTINI bead: N0_P3";;;;;;;-0.8;;-4.96;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM410411;MM410411;CC=C1CC(O)C(=O)CO1;SSYJLRTVAGNELN-UHFFFAOYSA-N;142.15;0.24;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC4_SP2";;;;;;;1.09;;-0.38;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM410412;MM410412;C=CC1=C(C)C=C(F)CC1;XDLADFRXGOSAKX-UHFFFAOYSA-N;138.19;3.14;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC1_SC4";;;;;;;4.24;;0.42;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM410413;MM410413;CNN(C=O)CCC(C)=O;VURNXLFKJBVAPB-UHFFFAOYSA-N;144.17;-0.44;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_P4";;;;;;;-1.19;;-4.76;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM410414;MM410414;CCCC(=O)N(C=N)C=N;PCWXPUPZCGLCLO-UHFFFAOYSA-N;141.17;0.83;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_P4";;;;;;;-0.41;;-2.78;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM410415;MM410415;NN=CC=COC=NN;PHBNKBGGFWVFJV-UHFFFAOYSA-N;128.14;-0.64;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_Nd";;;;;;;0.04;;-2.63;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM410416;MM410416;C#CC1=C(C)C=C(C)CC1;UVUZTYPLDREAIV-UHFFFAOYSA-N;132.21;2.68;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC4_SC4";;;;;;;3.53;;0.53;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM410417;MM410417;CC=C(CC)COCCC;BGYYHRGGCOOFGM-UHFFFAOYSA-N;142.24;2.77;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_C1";;;;;;;2.91;;0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM410418;MM410418;C=C1CNC(=NN)NC1C;CQBCATJYVCUJPU-UHFFFAOYSA-N;140.19;-0.65;;;;;DOPC;MDCG;27;1;"MARTINI bead: SP2_SP2";;;;;;;-1.34;;-7.32;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM410419;MM410419;CCc1[nH]cc(OC)c1C;SPBJFQOFHNWMHV-UHFFFAOYSA-N;139.2;1.89;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC5_SNa";;;;;;;1.64;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM410420;MM410420;N=CN(C=N)C(=O)CCN;JWSNPZBYRQUOIS-UHFFFAOYSA-N;142.16;-0.62;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1_P4";;;;;;;-2.01;;-6.81;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM410421;MM410421;CC#Cc1nc(OC)c[nH]1;BRAJFMFKDXXKLT-UHFFFAOYSA-N;136.15;0.79;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNda_SNd";;;;;;;0.87;;-1.92;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM410422;MM410422;CC=C(CC)COCCN;NSEIQEJQTZWZKP-UHFFFAOYSA-N;143.23;1.32;;;;;DOPC;MDCG;27;1;"MARTINI bead: C1_P2";;;;;;;1.8;;-0.94;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM410423;MM410423;C#CC1=C(C)C=C(F)CC1;UXBZCXKWKXOTEF-UHFFFAOYSA-N;136.17;2.58;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC4_SC4";;;;;;;3.53;;0.53;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM410424;MM410424;CC=C1CCC(=N)N(C)C1;LYUMSRBITTXMMU-UHFFFAOYSA-N;138.21;1.64;;;;;DOPC;MDCG;27;1;"MARTINI bead: SN0_SNd";;;;;;;1.17;;-5.65;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM410425;MM410425;COc1c[nH]c(CN)c1C;LZDXDAQWFUKRME-UHFFFAOYSA-N;140.19;0.79;;;;;DOPC;MDCG;27;1;"MARTINI bead: SNa_SNd";;;;;;;0.87;;-3.23;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM410426;MM410426;CCNN=COC=C(C)F;KWFGFAISCFACPX-UHFFFAOYSA-N;146.17;1.39;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nd_Na";;;;;;;0.87;;-1.88;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM410427;MM410427;CC=C(CC)COCCO;DGGWILFODKDZBN-UHFFFAOYSA-N;144.21;1.35;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1_P2";;;;;;;1.8;;0.4;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM410428;MM410428;CC#Cc1nc(CC)n[nH]1;IYAAAMSEGLBSEQ-UHFFFAOYSA-N;135.17;0.74;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNda_SNda";;;;;;;0.87;;-2.07;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM410429;MM410429;CC(CC(N)CN)C1CC1;POWLLNJCNXMFMZ-UHFFFAOYSA-N;142.25;0.71;;;;;DOPC;MDCG;27;1;"MARTINI bead: P3_SC3";;;;;;;0.6;;-3.15;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM410430;MM410430;CN1CC(=CF)CCC1=N;HUYIFJLQYUKTOA-UHFFFAOYSA-N;142.18;1.54;;;;;DOPC;MDCG;27;1;"MARTINI bead: SNa_SNd";;;;;;;0.87;;-6.43;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM410431;MM410431;COc1c[nH]c(CO)c1C;KYZGFNCHONHKND-UHFFFAOYSA-N;141.17;0.82;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNa_SNda";;;;;;;0.87;;-1.99;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM410432;MM410432;C=CCC(C)OC=NNC;PVBJQFBOLPLJEQ-UHFFFAOYSA-N;142.2;1.13;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_C5";;;;;;;0.54;;-1.09;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM410433;MM410433;CCC(=CF)COCCO;PYFVNDFGQDZXBG-UHFFFAOYSA-N;148.18;1.26;;;;;DOPC;MDCG;27;0;"MARTINI bead: C2_P3";;;;;;;0.86;;-0.3;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM410434;MM410434;CC#Cc1n[nH]c(CF)n1;XSPFRTDQNXZJHA-UHFFFAOYSA-N;139.13;0.65;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNda_SP1";;;;;;;0.04;;-2.73;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM410435;MM410435;CC(CC(F)CN)C1CC1;PAGDNOLHLRQNDE-UHFFFAOYSA-N;145.22;1.72;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1_SC3";;;;;;;1.74;;-0.86;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM410436;MM410436;CC=C1CCC(=O)N(C)C1;JSXUQCYXWSNAQQ-UHFFFAOYSA-N;139.2;1.18;;;;;DOPC;MDCG;27;0;"MARTINI bead: SN0_SNda";;;;;;;1.17;;-1.13;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM410437;MM410437;CCc1[nH]cc(OC)c1N;YSOWSWVUCAIFDF-UHFFFAOYSA-N;140.19;1.17;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC5_SNda";;;;;;;1.64;;0.05;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM410438;MM410438;CCCC(=O)N(C=N)C=O;MOCUYINJUXACNV-UHFFFAOYSA-N;142.16;0.38;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_P4";;;;;;;-0.41;;-2.78;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM410439;MM410439;CC#Cc1nc(NC)n[nH]1;YOXANVGCWSLIGN-UHFFFAOYSA-N;136.16;0.22;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP1_SNda";;;;;;;0.04;;-2.73;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM410440;MM410440;CCC(=CF)COCCF;WDWNPKIPANPKTE-UHFFFAOYSA-N;150.17;2.24;;;;;DOPC;MDCG;27;0;"MARTINI bead: C3_Na";;;;;;;2.57;;0.45;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM410441;MM410441;CC(CC(F)CO)C1CC1;LRPTZOKWONIARV-UHFFFAOYSA-N;146.21;1.75;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_SC3";;;;;;;1.74;;0.29;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM410442;MM410442;CN1CC(=CF)CCC1=O;ORXLWAWQFYGURZ-UHFFFAOYSA-N;143.16;1.09;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNa_SNda";;;;;;;0.87;;-1.99;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM410443;MM410443;COc1c[nH]c(CN)c1N;YVFKVJDSDJUYBG-UHFFFAOYSA-N;141.17;0.06;;;;;DOPC;MDCG;27;1;"MARTINI bead: SNa_SP2";;;;;;;-0.24;;-4.27;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM410444;MM410444;N=CN(C=O)C(=O)CCO;QOHZAVUUIFUUSO-UHFFFAOYSA-N;144.13;-1.04;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_P4";;;;;;;-2.01;;-5.13;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM410445;MM410445;CC=C(CN)COCCC;JYXPMZZASAPYIG-UHFFFAOYSA-N;143.23;1.32;;;;;DOPC;MDCG;27;1;"MARTINI bead: Na_Nd";;;;;;;0.87;;-4.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM410446;MM410446;CCC(O)CC(N)C1CC1;HXPJTFZPARVCEA-UHFFFAOYSA-N;143.23;0.88;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nda_SNd";;;;;;;0.87;;-4.63;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM410447;MM410447;CC#Cc1nc(OC)n[nH]1;VDNSMERPALOMGW-UHFFFAOYSA-N;137.14;0.18;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP1_SNda";;;;;;;0.04;;-2.73;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM410448;MM410448;C=CCCC1(O)C(C)C1C;YJZNGJLCNYDTDW-UHFFFAOYSA-N;140.23;1.97;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNda_C3";;;;;;;2.57;;0.44;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM410449;MM410449;CC=C1CCC(=N)N(N)C1;OYQSNTQLQPUMCS-UHFFFAOYSA-N;139.2;0.88;;;;;DOPC;MDCG;27;1;"MARTINI bead: SN0_SP1";;;;;;;0.34;;-4.29;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM410450;MM410450;N=CN(C=O)C(=O)CCF;JKPNLBDVQYBTRS-UHFFFAOYSA-N;146.12;-0.06;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_P4";;;;;;;-0.41;;-2.78;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM410451;MM410451;CC(CN(N)C=N)C1CC1;KYAFIRMDICLITJ-UHFFFAOYSA-N;141.22;0.82;;;;;DOPC;MDCG;27;1;"MARTINI bead: P3_SC3";;;;;;;0.6;;-3.33;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM410452;MM410452;CC#Cc1ccc(CC)o1;XQTKJXJCLLOTOT-UHFFFAOYSA-N;134.18;2.21;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC4_SC5";;;;;;;2.97;;0.45;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM410453;MM410453;CC=C(CN)COCCO;ZFJXNKCQZRYFGU-UHFFFAOYSA-N;145.2;-0.1;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1_P1";;;;;;;-0.79;;-5.31;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM410454;MM410454;COc1c[nH]c(OC)c1C;POHGAZIEOFYFBL-UHFFFAOYSA-N;141.17;1.34;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNa_SNda";;;;;;;0.87;;-1.99;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM410455;MM410455;N=C1CCC(=CF)CN1N;XMDPWRWMLXOACO-UHFFFAOYSA-N;143.17;0.79;;;;;DOPC;MDCG;27;1;"MARTINI bead: SP1_SNa";;;;;;;0.04;;-5.23;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM410456;MM410456;NCCC(=O)N(C=O)C=O;NYRAZPCHXSNABL-UHFFFAOYSA-N;144.13;-1.52;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1_P2";;;;;;;-1.06;;-5.93;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM410457;MM410457;CC(CN(N)C=O)C1CC1;KMQGJJFRPQIIOM-UHFFFAOYSA-N;142.2;0.36;;;;;DOPC;MDCG;27;0;"MARTINI bead: P4_SC3";;;;;;;0.52;;-1.59;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM410458;MM410458;CC#Cc1ccc(CO)o1;GSPUKAJJPKMFAH-UHFFFAOYSA-N;136.15;1.14;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC5_SNda";;;;;;;1.64;;0.05;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM410459;MM410459;NCCOCC(=CF)CN;ZTKFUHJAHVIJRU-UHFFFAOYSA-N;148.18;-0.23;;;;;DOPC;MDCG;27;1;"MARTINI bead: P2_P1";;;;;;;-1.06;;-6.18;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM410460;MM410460;CCc1coc(CF)c1C;VSYBUHPPRMVSPY-UHFFFAOYSA-N;142.17;2.62;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC4_SC5";;;;;;;2.97;;0.45;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM410461;MM410461;CC=C1CCC(=O)N(N)C1;MRHSAYRPECMVRA-UHFFFAOYSA-N;140.19;0.43;;;;;DOPC;MDCG;27;0;"MARTINI bead: SN0_SP1";;;;;;;0.34;;-1.53;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM410462;MM410462;C=NN(C)CC(C)C1CC1;UJDSPDHUMQLASN-UHFFFAOYSA-N;140.23;1.58;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_SC3";;;;;;;1.74;;0.29;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM410463;MM410463;O=CN(C=O)C(=O)CCO;OEWRNYZCPZFVFF-UHFFFAOYSA-N;145.11;-1.49;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_P2";;;;;;;-1.06;;-3.82;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM410464;MM410464;CC=C(CO)COCCC;YFUMKZQHILYATB-UHFFFAOYSA-N;144.21;1.35;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_Nda";;;;;;;0.87;;-1.99;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM410465;MM410465;CC#Cc1ccc(CF)o1;KUGKBZSDSHCBCA-UHFFFAOYSA-N;138.14;2.12;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC5_SC5";;;;;;;2.41;;0.64;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM410466;MM410466;CCc1occ(CN)c1C;SULGPPAKFCHGMO-UHFFFAOYSA-N;139.2;1.61;;;;;DOPC;MDCG;27;1;"MARTINI bead: SC4_SNd";;;;;;;2.2;;-0.76;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM410467;MM410467;CC=C1CCC(=N)N(O)C1;KMALZKWCPLXRNK-UHFFFAOYSA-N;140.19;1.39;;;;;DOPC;MDCG;27;1;"MARTINI bead: SN0_SNda";;;;;;;1.17;;-2.42;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM410468;MM410468;C#CC(C)NC(C)C1CC1;RDRFZMVTZAUVQD-UHFFFAOYSA-N;137.23;1.4;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1_SC3";;;;;;;1.74;;-1.53;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM410469;MM410469;C=C(CNC)N(C=N)C=N;OOESNIHZJGNRMD-UHFFFAOYSA-N;140.19;0.24;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1_P2";;;;;;;-1.06;;-5.16;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM410470;MM410470;CC#Cc1ccc(NC)o1;UKKDTKWOJIOIAU-UHFFFAOYSA-N;135.17;1.69;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNd_SC5";;;;;;;1.64;;0.02;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM410471;MM410471;CC=C(CO)COCCO;NPVPFAMDKRJILA-UHFFFAOYSA-N;146.19;-0.07;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda_P2";;;;;;;-0.24;;-3.31;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM410472;MM410472;Cc1c(CN)coc1CN;HNLAMYQTXSOKEC-UHFFFAOYSA-N;140.19;0.51;;;;;DOPC;MDCG;27;1;"MARTINI bead: SNd_SP1";;;;;;;0.04;;-3.93;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM410473;MM410473;CN1CC(=NN)CCC1=N;PAJXUTVOQDBGJK-UHFFFAOYSA-N;140.19;;;;;;DOPC;MDCG;27;1;"MARTINI bead: SP2_SNd";;;;;;;-0.24;;-7.24;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM410474;MM410474;C=C(CO)CC(C)C1CC1;MKLVOOWJESIQCY-UHFFFAOYSA-N;140.23;1.97;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda_SC3";;;;;;;2.57;;0.44;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM410475;MM410475;C=CN(C=C)C(=N)CNC;TYZKVMPVBHSPGN-UHFFFAOYSA-N;139.2;0.77;;;;;DOPC;MDCG;27;1;"MARTINI bead: P2_Nd";;;;;;;-0.24;;-6.14;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM410476;MM410476;CC#Cc1ccc(OC)o1;LGOYXQHXCKSJAI-UHFFFAOYSA-N;136.15;1.66;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNa_SC5";;;;;;;1.64;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM410477;MM410477;CC=C(CF)COCCC;NOSKGRVHKPJCAW-UHFFFAOYSA-N;146.21;2.33;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_C4";;;;;;;2.2;;0.34;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM410478;MM410478;Cc1c(CN)coc1CO;FOTDVIWZYLNBTD-UHFFFAOYSA-N;141.17;0.54;;;;;DOPC;MDCG;27;1;"MARTINI bead: SNd_SNda";;;;;;;0.87;;-3.14;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM410479;MM410479;CN1CC(=NO)CCC1=N;BACNGJGJSYGPON-UHFFFAOYSA-N;141.17;0.52;;;;;DOPC;MDCG;27;1;"MARTINI bead: SP2_SNd";;;;;;;-0.24;;-7.72;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM410480;MM410480;C=C(CC)CC(N)C1CC1;CJTSBCMXFZEKJY-UHFFFAOYSA-N;139.24;2.08;;;;;DOPC;MDCG;27;1;"MARTINI bead: C1_SNd";;;;;;;2.91;;-0.77;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM410481;MM410481;C=CN(C=N)C(=O)CNC;AHFIWZAYTYTSCY-UHFFFAOYSA-N;141.17;-0.22;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1_P2";;;;;;;-1.06;;-5.29;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM410482;MM410482;CC#Cc1cnc(CC)o1;NWZOKNYHYGAQKT-UHFFFAOYSA-N;135.17;1.61;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNa_SN0";;;;;;;1.17;;-1.18;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM410483;MM410483;CC=C(CF)COCCO;VNXUDKMLYSNSIG-UHFFFAOYSA-N;148.18;0.91;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4_P2";;;;;;;1.09;;-0.38;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM410484;MM410484;CCc1occ(CO)c1C;BZJLKFAOISZVIJ-UHFFFAOYSA-N;140.18;1.64;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC4_SNda";;;;;;;2.2;;0.49;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM410485;MM410485;CN1CC(=NN)CCC1=O;UITSUUWKMWNSDX-UHFFFAOYSA-N;141.17;-0.45;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP2_SNda";;;;;;;-0.24;;-3.31;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM410486;MM410486;CC(CC(=N)NN)C1CC1;HQYFAKVAOZUUPL-UHFFFAOYSA-N;141.22;0.86;;;;;DOPC;MDCG;27;1;"MARTINI bead: P2_SC3";;;;;;;1.46;;-3.72;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM410487;MM410487;C=CN(C=O)C(=O)CNC;CFSYLEZUCJWMTA-UHFFFAOYSA-N;142.16;-0.67;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1_P2";;;;;;;-1.06;;-5.29;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM410488;MM410488;CC#Cc1cnc(CO)o1;MKPNOEFJRMAKIQ-UHFFFAOYSA-N;137.14;0.54;;;;;DOPC;MDCG;27;0;"MARTINI bead: SN0_SP1";;;;;;;0.34;;-1.53;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM410489;MM410489;Cc1c(CO)coc1CF;TVAAYHODBRNJSY-UHFFFAOYSA-N;144.15;1.55;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNda_SC5";;;;;;;1.64;;0.05;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM410490;MM410490;CC=C(CC)COCOC;MAEMQCHQCPYPNJ-UHFFFAOYSA-N;144.21;1.96;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1_P1";;;;;;;2.08;;0.48;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM410491;MM410491;CN1CC(=NO)CCC1=O;XRVIYGMSEPPHBD-UHFFFAOYSA-N;142.16;0.07;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP2_SNda";;;;;;;-0.24;;-3.31;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM410492;MM410492;CC(NC(=N)NN)C1CC1;WNDYDUNSIFELLD-UHFFFAOYSA-N;142.21;-0.23;;;;;DOPC;MDCG;27;1;"MARTINI bead: P4_SC3";;;;;;;0.52;;-5.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM410493;MM410493;CNCC(=O)N(C=N)C=N;ZRAFKZRXECSWPJ-UHFFFAOYSA-N;142.16;-0.75;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1_P4";;;;;;;-2.01;;-6.57;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM410494;MM410494;CC#Cc1cnc(CF)o1;LCPXEGSLDVGYTF-UHFFFAOYSA-N;139.13;1.52;;;;;DOPC;MDCG;27;0;"MARTINI bead: SN0_SNa";;;;;;;1.17;;-1.18;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM410495;MM410495;CCc1occ(CF)c1C;OZKQBRLBFHHGFV-UHFFFAOYSA-N;142.17;2.62;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC4_SC5";;;;;;;2.97;;0.45;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM410496;MM410496;CC=C(CN)COCOC;CLYZFDHZPWXRTL-UHFFFAOYSA-N;145.2;0.51;;;;;DOPC;MDCG;27;1;"MARTINI bead: P2_Nd";;;;;;;-0.24;;-5.33;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM410497;MM410497;N=C1CCC(=NN)CN1N;CPALDQFSELQRSN-UHFFFAOYSA-N;141.18;-0.75;;;;;DOPC;MDCG;27;1;"MARTINI bead: SP2_SP1";;;;;;;-1.06;;-6.11;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM410498;MM410498;C=CC(=O)CC(C)C1CC1;DUVFWTGQSGOITH-UHFFFAOYSA-N;138.21;2.18;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_SC3";;;;;;;2.57;;0.45;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM410499;MM410499;CNCC(=O)N(C=O)C=O;NWFPXYNJACYIBB-UHFFFAOYSA-N;144.13;-1.65;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1_P2";;;;;;;-1.06;;-5.29;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM410500;MM410500;Cc1c(CF)coc1CF;ISHJPTCRLNHXBA-UHFFFAOYSA-N;146.14;2.53;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC5_SC5";;;;;;;2.41;;0.64;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM410501;MM410501;CC#CC=COC=NN;WGSUFHMTFJAGEM-UHFFFAOYSA-N;124.14;0.44;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4_P1";;;;;;;1.37;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM410502;MM410502;COCOCC(=CF)CN;OZBVMKMIIHVKIU-UHFFFAOYSA-N;149.17;0.42;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1_P1";;;;;;;-0.79;;-5.23;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM410503;MM410503;N=C1CCC(=NO)CN1N;RARQVXMSSALCSD-UHFFFAOYSA-N;142.16;-0.24;;;;;DOPC;MDCG;27;1;"MARTINI bead: SP2_SP1";;;;;;;-1.06;;-6.05;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM410504;MM410504;N=C(CC(N)CN)N1CC1;VTWQPBRGGWUTGS-UHFFFAOYSA-N;142.21;-1.04;;;;;DOPC;MDCG;27;1;"MARTINI bead: P3_SP2";;;;;;;-2.2;;-8.84;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM410505;MM410505;CCc1coc(CO)c1N;UVIAKMRYIARNSG-UHFFFAOYSA-N;141.17;0.92;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC5_SNda";;;;;;;1.64;;0.05;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM410506;MM410506;C=CN(C=O)C(=C)COC;MWQXDBDDBMBBGN-UHFFFAOYSA-N;141.17;0.75;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_N0";;;;;;;0.34;;-1.53;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM410507;MM410507;CC#Cc1cnc(OC)o1;WBWQKTFGNWZDPI-UHFFFAOYSA-N;137.14;1.05;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNa_SN0";;;;;;;1.17;;-1.18;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM410508;MM410508;COCOCC(=CF)CO;MIGYETREKCKIRA-UHFFFAOYSA-N;150.15;0.45;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_Nda";;;;;;;-0.24;;-3.31;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM410509;MM410509;NN=C1CCC(=O)N(N)C1;RKZWBZZGGSIJDG-UHFFFAOYSA-N;142.16;-1.2;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP2_SP1";;;;;;;-1.06;;-3.82;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM410510;MM410510;CNC(C)CC(=N)N1CC1;YUCDKCWACVLSGZ-UHFFFAOYSA-N;141.22;0.28;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_SP2";;;;;;;-0.24;;-7.07;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM410511;MM410511;CCc1occ(CO)c1N;FKEOXILQVRHKAT-UHFFFAOYSA-N;141.17;0.92;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC4_SP1";;;;;;;1.37;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM410512;MM410512;C=CN(C=O)C(=N)COC;SQBSGUWQUTYPJP-UHFFFAOYSA-N;142.16;0.21;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_P2";;;;;;;-1.06;;-3.82;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM410513;MM410513;CC#Cc1ncc(CC)o1;SMWLDOKJPHCBRN-UHFFFAOYSA-N;135.17;1.61;;;;;DOPC;MDCG;27;0;"MARTINI bead: SN0_SC5";;;;;;;1.94;;0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM410514;MM410514;COCOCC(=CF)CF;CXYJXCJYJCNDOC-UHFFFAOYSA-N;152.14;1.43;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_C5";;;;;;;0.81;;-0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM410515;MM410515;NN1CC(=NO)CCC1=O;XYMNIWXDGNTLJI-UHFFFAOYSA-N;143.15;-0.69;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP2_SP1";;;;;;;-1.06;;-3.82;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM410516;MM410516;COC(C)CC(=N)N1CC1;RMEPMTYBUPRRSG-UHFFFAOYSA-N;142.2;0.7;;;;;DOPC;MDCG;27;1;"MARTINI bead: Na_SP2";;;;;;;-0.24;;-6.89;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM410517;MM410517;CCc1coc(NC)c1C;RIOORIHPLVMARP-UHFFFAOYSA-N;139.2;2.19;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC4_SC5";;;;;;;2.97;;0.45;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM410518;MM410518;CCCOCC(CC)=NN;KXGNARKMZJHRMV-UHFFFAOYSA-N;144.22;1.14;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_Nd";;;;;;;0.87;;-1.88;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM410519;MM410519;COCC(=N)N(C=N)C=O;RSECCHYWZQQZGO-UHFFFAOYSA-N;143.15;-0.32;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_P4";;;;;;;-2.01;;-5.13;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM410520;MM410520;CC#Cc1ncc(CO)o1;LXASSSYXTBMHLO-UHFFFAOYSA-N;137.14;0.54;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC5_SP1";;;;;;;0.81;;-0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM410521;MM410521;CN=C1CCC(=N)N(C)N1;XKQJZNIPDSPGNB-UHFFFAOYSA-N;140.19;0.22;;;;;DOPC;MDCG;27;1;"MARTINI bead: SP2_SP2";;;;;;;-1.34;;-7.03;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM410522;MM410522;C=CC(C)CC(=N)N1CC1;MREINJNEJGHTMG-UHFFFAOYSA-N;138.21;1.49;;;;;DOPC;MDCG;27;1;"MARTINI bead: C2_SP2";;;;;;;1.72;;-3.36;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM410523;MM410523;CNc1occ(CN)c1C;UAAZJFAVYNOXBD-UHFFFAOYSA-N;140.19;1.09;;;;;DOPC;MDCG;27;1;"MARTINI bead: SNd_SNd";;;;;;;0.87;;-3.49;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM410524;MM410524;COCC(=N)N(C=O)C=O;CGTAZPYEDBBFDY-UHFFFAOYSA-N;144.13;-0.78;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_P4";;;;;;;-2.01;;-5.13;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM410525;MM410525;CC#Cc1ncc(CF)o1;BDMAWEUQIFLSQT-UHFFFAOYSA-N;139.13;1.52;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC5_SNa";;;;;;;1.64;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM410526;MM410526;CNN=c1occ(N)o1;FVVIDPXEEBAVKI-UHFFFAOYSA-N;129.12;-0.51;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_SP3";;;;;;;-2.2;;-5.19;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM410527;MM410527;CN1NC(=NO)CCC1=N;PIIPBTZUXHNNFT-UHFFFAOYSA-N;142.16;-0.02;;;;;DOPC;MDCG;27;1;"MARTINI bead: SP2_SP2";;;;;;;-1.34;;-6.86;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM410528;MM410528;CC(C=O)CC(=N)N1CC1;RPRSQPXWPMXMLH-UHFFFAOYSA-N;140.19;0.5;;;;;DOPC;MDCG;27;1;"MARTINI bead: Na_SP2";;;;;;;-0.24;;-7.25;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM410529;MM410529;CNc1occ(CO)c1C;XJWHQZXOMOMJIR-UHFFFAOYSA-N;141.17;1.12;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNd_SNda";;;;;;;0.87;;-1.92;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM410530;MM410530;CON=C(NOC)C(C)=O;UXFWHIMNTGLWMU-UHFFFAOYSA-N;146.15;-0.31;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_Na";;;;;;;-0.24;;-3.24;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM410531;MM410531;CCC1CC1OC=NN;CPYNFBQKWIMVRZ-UHFFFAOYSA-N;128.18;0.7;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC3_P1";;;;;;;1.74;;0.29;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM410532;MM410532;CCCOCC(CC)=NO;MZMPCNWBRRSJPL-UHFFFAOYSA-N;145.2;1.65;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_Nda";;;;;;;0.87;;-1.99;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM410533;MM410533;CN=C1CCC(=O)N(C)N1;MRZMYGPWHBPRQH-UHFFFAOYSA-N;141.17;-0.23;;;;;DOPC;MDCG;27;1;"MARTINI bead: SP2_SP2";;;;;;;-1.34;;-5.99;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM410534;MM410534;CC(C#N)CC(=N)N1CC1;RXSYTOXFDZKTRG-UHFFFAOYSA-N;137.19;0.83;;;;;DOPC;MDCG;27;1;"MARTINI bead: N0_SP2";;;;;;;0.06;;-6.09;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM410535;MM410535;C=NN(C=O)C(=C)CCF;RHCHBVUKRCRETB-UHFFFAOYSA-N;144.15;0.93;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_P2";;;;;;;0.54;;-1.09;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM410536;MM410536;CNc1occ(CO)c1N;RZVBAYIYLIHXBS-UHFFFAOYSA-N;142.16;0.4;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNd_SP1";;;;;;;0.04;;-2.63;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM410537;MM410537;CCC(COCCN)=NO;HEBLVDOEFNJOLS-UHFFFAOYSA-N;146.19;0.2;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nda_P2";;;;;;;-0.24;;-5.43;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM410538;MM410538;CC#Cc1ncc(OC)o1;UECBRVXFSQSGNA-UHFFFAOYSA-N;137.14;1.05;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNa_SC5";;;;;;;1.64;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM410539;MM410539;C=C1CC(=CC)CCC1C;XHQWTQARXFPDLF-UHFFFAOYSA-N;136.24;3.31;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC1_SC2";;;;;;;4.87;;0.53;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM410540;MM410540;C=CC(C)NC(=N)N1CC1;NBFQSTDSVNVCGO-UHFFFAOYSA-N;139.2;0.4;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_SP2";;;;;;;-0.24;;-7.7;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM410541;MM410541;CCC(COCCO)=NO;MTIXVSXCDXEJQG-UHFFFAOYSA-N;147.17;0.24;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda_P2";;;;;;;-0.24;;-3.31;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM410542;MM410542;C=CN(N=C)C(=N)CCF;SVHWGYXFOOCXST-UHFFFAOYSA-N;143.17;1.38;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_P1";;;;;;;0.04;;-2.54;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM410543;MM410543;CCc1coc(OC)c1C;QTXOWQUJHFODDD-UHFFFAOYSA-N;140.18;2.16;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC3_SNa";;;;;;;2.57;;0.45;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM410544;MM410544;CC#Cc1nnc(CC)o1;PGAKWEPWSDYECQ-UHFFFAOYSA-N;136.15;1;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNa_SNa";;;;;;;0.87;;-2.22;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM410545;MM410545;C=C1CC(=CC)CCC1N;SZXPMODVWIJZHR-UHFFFAOYSA-N;137.23;2;;;;;DOPC;MDCG;27;1;"MARTINI bead: SC1_SC5";;;;;;;3.68;;0.59;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM410546;MM410546;CC(C#N)NC(=N)N1CC1;SIDOYWUDHLEIRF-UHFFFAOYSA-N;138.17;-0.26;;;;;DOPC;MDCG;27;1;"MARTINI bead: P2_SP2";;;;;;;-1.34;;-5.89;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM410547;MM410547;CCNc1c[nH]c(C)c1;NAJDJTHPQGPFED-UHFFFAOYSA-N;124.19;1.75;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC5_SNd";;;;;;;1.64;;0.02;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM410548;MM410548;CC#Cc1nnc(CO)o1;UPJAZMCYRGAAKP-UHFFFAOYSA-N;138.13;-0.07;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNa_SP2";;;;;;;-0.24;;-3.24;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM410549;MM410549;N=c1nc(N)c(=O)cco1;ZSQAXSAEFWSORD-UHFFFAOYSA-N;139.11;-0.9;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP3_SP1";;;;;;;-1.93;;-4.72;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM410550;MM410550;COc1occ(CN)c1C;WHSAXIOPMMSKMT-UHFFFAOYSA-N;141.17;1.06;;;;;DOPC;MDCG;27;1;"MARTINI bead: SNa_SNd";;;;;;;0.87;;-3.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM410551;MM410551;C#CC(=NN)OC=CCC;ZAHRFRWTWVZZMN-UHFFFAOYSA-N;138.17;0.83;;;;;DOPC;MDCG;27;0;"MARTINI bead: C3_P2";;;;;;;1.46;;-0.15;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM410552;MM410552;C#CC(C)CC(=N)N1CC1;PLQNVBCIXBRZHJ-UHFFFAOYSA-N;136.2;0.94;;;;;DOPC;MDCG;27;1;"MARTINI bead: C4_SP2";;;;;;;1.09;;-4.29;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM410553;MM410553;C=NNC1=CC(=O)C=C1;XICAPWVNOXSAPT-UHFFFAOYSA-N;122.13;0.21;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNd_SNa";;;;;;;0.87;;-1.88;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM410554;MM410554;CC#Cc1nnc(CF)o1;TZSHHLFBKLTPPU-UHFFFAOYSA-N;140.12;0.91;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNa_SP1";;;;;;;0.04;;-2.54;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM410555;MM410555;CCc1coc(OC)c1N;TYVLLHKGFUFXAQ-UHFFFAOYSA-N;141.17;1.43;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC5_SNa";;;;;;;1.64;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM410556;MM410556;C=NN=C1C=C(N)C(C)C1;FZFNHMQCBMGERN-UHFFFAOYSA-N;137.19;0.93;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC5_SNd";;;;;;;1.64;;0.02;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM410557;MM410557;C=C(CC)CC(=C)C1CC1;ZVKPDBDFEDAQEQ-UHFFFAOYSA-N;136.24;3.31;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1_SC4";;;;;;;4.24;;0.42;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM410558;MM410558;C#CC(=NN)OC=CC=C;BFGVOUMNQDFNTQ-UHFFFAOYSA-N;136.15;0.61;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_C4";;;;;;;1.09;;-0.38;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM410560;MM410560;CCC(=O)CN=C(N)C#N;UQNLOLPXESYTPU-UHFFFAOYSA-N;139.16;-0.15;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_P2";;;;;;;-0.24;;-3.24;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM410559;MM410559;C#CC(O)CC#CC(=O)O;HZRQKPWNXRFCRC-UHFFFAOYSA-N;138.12;-0.54;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda_P1";;;;;;;0.04;;-7.42;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM410561;MM410561;CC#Cc1nnc(NC)o1;MMHQPVOLIXWKQM-UHFFFAOYSA-N;137.14;0.48;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP1_SNa";;;;;;;0.04;;-2.54;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM410562;MM410562;CCc1occ(NC)c1C;GGRHOQXMKSUAMM-UHFFFAOYSA-N;139.2;2.19;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC4_SC5";;;;;;;2.97;;0.45;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM410563;MM410563;C=C1CC(=NO)CCC1O;FOGLTVHLLLSULY-UHFFFAOYSA-N;141.17;0.92;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC5_SC5";;;;;;;2.41;;0.64;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM410564;MM410564;C=C(CC)CC(=N)N1CC1;MGVKCERCKPSRJH-UHFFFAOYSA-N;138.21;1.64;;;;;DOPC;MDCG;27;1;"MARTINI bead: C1_SP2";;;;;;;1.8;;-2.69;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM410565;MM410565;Oc1noc(F)c1F;FDKFMCKWAYCXJO-UHFFFAOYSA-N;121.04;0.66;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNda_SNa";;;;;;;0.87;;-6.76;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM410566;MM410566;CC#Cc1nnc(OC)o1;VDJWOGYJTQIEPS-UHFFFAOYSA-N;138.13;0.45;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP1_SNa";;;;;;;0.04;;-2.54;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM410567;MM410567;C=NN(C=O)C(=N)COC;LNZALDGQDNSSDD-UHFFFAOYSA-N;143.15;-0.32;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_P2";;;;;;;-1.06;;-3.82;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM410568;MM410568;CNc1coc(CO)c1C;XNVMIAITVADXHN-UHFFFAOYSA-N;141.17;1.12;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNd_SNda";;;;;;;0.87;;-1.92;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM410569;MM410569;C=C1CC(=NC)NCC1O;ULHSUCNVLGCCLJ-UHFFFAOYSA-N;140.19;-0.07;;;;;DOPC;MDCG;27;1;"MARTINI bead: SC5_SP2";;;;;;;0.54;;-4.35;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM410570;MM410570;C=C(CN)CC(=N)N1CC1;KKFMZFKOICKVQM-UHFFFAOYSA-N;139.2;0.18;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_SP2";;;;;;;-0.24;;-6.96;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM410571;MM410571;CCCc1cc(N)c[nH]1;XLCOHFWXQBPKRO-UHFFFAOYSA-N;124.19;1.55;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC4_SP1";;;;;;;1.37;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM410572;MM410572;C=CC1=CC=C(C#CC)C1;KUSODMDJZICHJB-UHFFFAOYSA-N;130.19;2.45;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC4_SC4";;;;;;;3.53;;0.53;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM410573;MM410573;CC(=O)CNN(C=O)C=O;WJCHYGFPPMSGRY-UHFFFAOYSA-N;144.13;-1.31;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_P3";;;;;;;-1.1;;-4.2;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM410574;MM410574;CNc1coc(CF)c1C;KAVQXFCLNUQMBB-UHFFFAOYSA-N;143.16;2.1;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNd_SC5";;;;;;;1.64;;0.02;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM410575;MM410575;C=C(C#N)CC(=N)N1CC1;QQXZYHYHJVYPMP-UHFFFAOYSA-N;135.17;0.75;;;;;DOPC;MDCG;27;1;"MARTINI bead: N0_SP2";;;;;;;0.06;;-5.72;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM410576;MM410576;C=C1CC(NN)=NCC1O;RRGLYPYWZAFNSA-UHFFFAOYSA-N;141.17;-0.83;;;;;DOPC;MDCG;27;1;"MARTINI bead: SNd_SNda";;;;;;;0.87;;-3.48;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM410577;MM410577;N#CC(CCO)CC(=O)O;PYSNNBCXVPMYLW-UHFFFAOYSA-N;143.14;-0.02;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_P1";;;;;;;-1.06;;-8.43;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM410578;MM410578;CCc1occ(NC)c1N;MCLPYCXNJHDZHX-UHFFFAOYSA-N;140.19;1.47;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC4_SNd";;;;;;;2.2;;0.32;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM410579;MM410579;CC#CC1=CC=C(C=O)C1;DISMXLOWJZXESM-UHFFFAOYSA-N;132.16;1.47;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC4_SNa";;;;;;;2.2;;0.34;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM410580;MM410580;C#CC(=C)CC(=N)N1CC1;NEKLEHTVDYCORL-UHFFFAOYSA-N;134.18;0.86;;;;;DOPC;MDCG;27;1;"MARTINI bead: C5_SP2";;;;;;;0.54;;-4.65;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM410581;MM410581;C#CC(F)C(N)=C(F)C#N;UZXWPTYIFWKFTF-UHFFFAOYSA-N;142.11;0.62;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_Nda";;;;;;;0.87;;-1.99;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM410582;MM410582;C=C1CC(=CC)OCC1F;AIDMPMTZSMGGLN-UHFFFAOYSA-N;142.17;2.2;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC4_SNa";;;;;;;2.2;;0.34;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM410583;MM410583;CC(=O)C(C)N1CC1C;PZQCVFYDUSACAX-UHFFFAOYSA-N;127.19;0.67;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNd_Na";;;;;;;0.87;;-1.88;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM410584;MM410584;CNc1coc(NC)c1C;OCHSIVKLMMYBKD-UHFFFAOYSA-N;140.19;1.67;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNd_SC5";;;;;;;1.64;;0.02;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM410585;MM410585;C=CN(C=C)C(=N)NNC;WPPUCEIXIHUUFC-UHFFFAOYSA-N;140.19;0.23;;;;;DOPC;MDCG;27;1;"MARTINI bead: P3_Nd";;;;;;;-1.1;;-8.07;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM410586;MM410586;CC#CC1=CC=C(C#N)C1;FNUPEYRNHAESEO-UHFFFAOYSA-N;129.16;1.79;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC4_SN0";;;;;;;2.5;;0.44;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM410587;MM410587;C#CC(=O)CC(=N)N1CC1;YDHLOVXLZOUMNH-UHFFFAOYSA-N;136.15;-0.13;;;;;DOPC;MDCG;27;1;"MARTINI bead: Na_SP2";;;;;;;-0.24;;-5.91;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM410588;MM410588;CN=C1CCC(N)C(=O)N1;YYGWCCGYDSJUTG-UHFFFAOYSA-N;141.17;-0.75;;;;;DOPC;MDCG;27;1;"MARTINI bead: SC5_SP2";;;;;;;0.54;;-2.09;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM410589;MM410589;CCc1occ(OC)c1C;CWWMTZNTXLMQSQ-UHFFFAOYSA-N;140.18;2.16;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC4_SC5";;;;;;;2.97;;0.45;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM410590;MM410590;C#CCn1nc(O)c(O)n1;ZYJHVWUWIDXEEI-UHFFFAOYSA-N;139.11;-0.68;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNa_SP2";;;;;;;-0.24;;-7.88;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM410591;MM410591;C#CC(=N)NC(=N)N1CC1;MCTRGRHJUZYQJF-UHFFFAOYSA-N;136.16;-0.56;;;;;DOPC;MDCG;27;1;"MARTINI bead: P2_SP2";;;;;;;-1.34;;-7.09;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM410592;MM410592;CNNC(=N)N(C=N)C=N;GFRUXWCJOMYHNU-UHFFFAOYSA-N;142.17;-0.84;;;;;DOPC;MDCG;27;1;"MARTINI bead: P4_P2";;;;;;;-2.29;;-8.09;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM410593;MM410593;C=CC1=NN=C(C#CC)C1;VBRPMUNXUSVIAS-UHFFFAOYSA-N;132.17;1.4;;;;;DOPC;MDCG;27;0;"MARTINI bead: SN0_SN0";;;;;;;1.47;;-0.05;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM410594;MM410594;C=C1NC(=NC)NCC1C;XLWBQEDURCXUQP-UHFFFAOYSA-N;139.2;0.31;;;;;DOPC;MDCG;27;1;"MARTINI bead: SNd_SP1";;;;;;;0.04;;-7.25;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM410595;MM410595;CCc1occ(OC)c1N;QQIYFOUVOOGSMJ-UHFFFAOYSA-N;141.17;1.43;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC4_SNda";;;;;;;2.2;;0.49;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM410596;MM410596;CCCOCC(=NC)NC;YJCJHCZSDZYESL-UHFFFAOYSA-N;144.22;0.66;;;;;DOPC;MDCG;27;1;"MARTINI bead: Na_Nd";;;;;;;0.87;;-5.33;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM410597;MM410597;CC=C(C)CC(C)C1CC1;FSYFYTKEBRFMOA-UHFFFAOYSA-N;138.25;3.39;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1_SC3";;;;;;;4.61;;0.31;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM410598;MM410598;C#CC(=O)CCNCC#N;ZLHBGMUXGLQWGP-UHFFFAOYSA-N;136.15;-0.31;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_P2";;;;;;;-0.24;;-3.24;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM410599;MM410599;CC#CC1=NN=C(C=O)C1;WDZFLVNSWMQDMD-UHFFFAOYSA-N;134.14;0.41;;;;;DOPC;MDCG;27;0;"MARTINI bead: SN0_SNa";;;;;;;1.17;;-1.18;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM410600;MM410600;C=C1NC(=NC)NCC1O;WUXWCKFBRRIRHT-UHFFFAOYSA-N;141.17;-0.96;;;;;DOPC;MDCG;27;1;"MARTINI bead: SNd_SP3";;;;;;;-1.1;;-7.59;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM410601;MM410601;CCCOCC(=NN)NC;VYRQQDSTFGDCRH-UHFFFAOYSA-N;145.21;-0.1;;;;;DOPC;MDCG;27;1;"MARTINI bead: C3_P3";;;;;;;0.6;;-1.93;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM410603;MM410603;CNc1occ(OC)c1C;JSQQXCTUVHWOOT-UHFFFAOYSA-N;141.17;1.64;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC5_SNa";;;;;;;1.64;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM410602;MM410602;C=C(CC)COC=NNC;NUOZZRKTRBUPSH-UHFFFAOYSA-N;142.2;1.13;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_P2";;;;;;;0.54;;-1.09;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM410604;MM410604;CC(=CF)CC(C)C1CC1;UBKRGKBYWCDEMS-UHFFFAOYSA-N;142.22;3.3;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4_SC3";;;;;;;3.9;;0.47;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM410605;MM410605;CC#CC1=NN=C(C#N)C1;JLDLRWOOYLOKLN-UHFFFAOYSA-N;131.14;0.73;;;;;DOPC;MDCG;27;0;"MARTINI bead: SN0_SN0";;;;;;;1.47;;-0.05;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM410606;MM410606;CN=C1NCC(C)C(=N)N1;OLWLISDTCXDNSV-UHFFFAOYSA-N;140.19;-0.22;;;;;DOPC;MDCG;27;1;"MARTINI bead: SNd_SP2";;;;;;;-0.24;;-6.8;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM410607;MM410607;CCOC=NN=C(C)NC;ZYFVLRXWRBHCPP-UHFFFAOYSA-N;143.19;0.6;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_Nd";;;;;;;0.87;;-1.88;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM410608;MM410608;CN=C(COCCF)NN;GBZUSSLDIVAYDC-UHFFFAOYSA-N;149.17;-0.54;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_P2";;;;;;;-0.24;;-4.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM410609;MM410609;CC=C(C)NC(=N)N1CC1;VIDBXHCSDCSUQP-UHFFFAOYSA-N;139.2;0.75;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_SP2";;;;;;;-0.24;;-7.66;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM410610;MM410610;C=Cc1ccc(C#CC)[nH]1;BPZCJBASMYEEHC-UHFFFAOYSA-N;131.18;2.03;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC5_SN0";;;;;;;1.94;;0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM410611;MM410611;C=C(C#N)COC=NNC;LZTHTJOZJABUFB-UHFFFAOYSA-N;139.16;0.25;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_N0";;;;;;;0.34;;-1.53;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM410612;MM410612;CN=C1NCC(O)C(=N)N1;LYPIJVFGNSCCPS-UHFFFAOYSA-N;142.16;-1.5;;;;;DOPC;MDCG;27;1;"MARTINI bead: SNd_SP3";;;;;;;-1.1;;-6.59;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM410613;MM410613;Cc1c(CO)n[nH]c1CN;PZWODNSIOJCFLO-UHFFFAOYSA-N;141.17;-0.33;;;;;DOPC;MDCG;27;1;"MARTINI bead: SP1_SP1";;;;;;;-0.79;;-4.32;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM410614;MM410614;CCC1NC(CC)C1=O;HQDBIWLHKFWCPQ-UHFFFAOYSA-N;127.19;0.72;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNd_SP1";;;;;;;0.04;;-2.63;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM410615;MM410615;CC#Cc1ccc(C#N)[nH]1;QDEYERMVQOEWBJ-UHFFFAOYSA-N;130.15;1.26;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC5_SN0";;;;;;;1.94;;0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM410616;MM410616;C=CN(C=N)C(=N)NOC;GWIWPCQSLKGKDH-UHFFFAOYSA-N;142.16;0.12;;;;;DOPC;MDCG;27;1;"MARTINI bead: P2_P2";;;;;;;-1.34;;-6.33;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM410617;MM410617;C=C(C=C(C)CC)C1CC1;RXMNAUWCJXXUSB-UHFFFAOYSA-N;136.24;3.31;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1_SC4";;;;;;;4.24;;0.42;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM410618;MM410618;C=C1OC(=CC)CCC1F;CDYLGAIORGIUHM-UHFFFAOYSA-N;142.17;2.55;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC4_SN0";;;;;;;2.5;;0.44;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM410619;MM410619;CC(=O)C1C(C)N1C=O;ARHMSZLIVINOGY-UHFFFAOYSA-N;127.14;-0.2;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP1_Na";;;;;;;0.04;;-2.54;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM410620;MM410620;COC1CC1OC=NN;IVBDHZWHYPEOGV-UHFFFAOYSA-N;130.15;-0.31;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNa_P1";;;;;;;0.04;;-2.54;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM410621;MM410621;C#CC(=C)COC=NNC;YDFGNHAQJJXULA-UHFFFAOYSA-N;138.17;0.36;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_C5";;;;;;;0.54;;-1.09;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM410622;MM410622;CCC(C)=CC(=N)N1CC1;UGANYZQCNKBRAT-UHFFFAOYSA-N;138.21;1.64;;;;;DOPC;MDCG;27;1;"MARTINI bead: C1_SP2";;;;;;;1.8;;-2.63;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM410623;MM410623;N=C1NN(C=O)CCC1=O;RMLKEJMJBWRLLX-UHFFFAOYSA-N;141.13;-1.1;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP2_SP3";;;;;;;-2.2;;-5.19;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM410624;MM410624;CC=C1CCN(C)C(=N)C1;MPFIRQHFQPXCAM-UHFFFAOYSA-N;138.21;1.64;;;;;DOPC;MDCG;27;1;"MARTINI bead: SN0_SNd";;;;;;;1.17;;-5.74;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM410625;MM410625;CNN=COCC(C)=NN;OQKJGUSKVRLEEW-UHFFFAOYSA-N;144.18;-0.5;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_Nd";;;;;;;-0.24;;-3.16;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM410626;MM410626;CC#Cc1c[nH]c(C=O)n1;KOOWYQGCOPHXTA-UHFFFAOYSA-N;134.14;0.59;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNda_SP1";;;;;;;0.04;;-2.73;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM410627;MM410627;CC(C=O)N1CC1C#N;YLCAABPSDMPVEQ-UHFFFAOYSA-N;124.14;-0.22;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_SP2";;;;;;;-0.24;;-3.24;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM410628;MM410628;CC(=CC(=N)N1CC1)CN;CKBSBGWUJXATGQ-UHFFFAOYSA-N;139.2;0.18;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_SP2";;;;;;;-0.24;;-6.8;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM410629;MM410629;COn1onc(NN)c1=N;IJWACPQYIQWIRG-UHFFFAOYSA-N;145.12;-1.7;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP2_SP1";;;;;;;-1.06;;-3.82;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM410630;MM410630;CN1CCC(=CF)CC1=N;BDAPMPOHECZWJG-UHFFFAOYSA-N;142.18;1.54;;;;;DOPC;MDCG;27;1;"MARTINI bead: SNd_SNa";;;;;;;0.87;;-6.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM410631;MM410631;C=CN(C=N)C(=O)NOC;QSAPOUHRXCEPMY-UHFFFAOYSA-N;143.15;0.31;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_P2";;;;;;;-1.34;;-4.31;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM410632;MM410632;CCCOCC(=NO)NO;ZCMXBQUEMMNRQD-UHFFFAOYSA-N;148.16;0.18;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_P2";;;;;;;-0.24;;-3.24;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM410633;MM410633;CC#Cc1c[nH]c(C#N)n1;ATXZHCFLHHZIGI-UHFFFAOYSA-N;131.14;0.65;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNda_SNd";;;;;;;0.87;;-1.92;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM410634;MM410634;N=C(C=C(N)CN)N1CC1;UNPBFABXHQNSDU-UHFFFAOYSA-N;140.19;-0.92;;;;;DOPC;MDCG;27;1;"MARTINI bead: P3_SP2";;;;;;;-2.2;;-8.46;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM410635;MM410635;CNn1nnc(C#N)c1N;PVRNGSSRIPGNQF-UHFFFAOYSA-N;138.13;-1.09;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP2_SP1";;;;;;;-1.06;;-3.82;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM410636;MM410636;CONC(=O)N(C=N)C=N;CEPQCEUXCAIFPM-UHFFFAOYSA-N;144.13;-0.23;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_P4";;;;;;;-2.29;;-5.95;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM410637;MM410637;CC=C1CCN(N)C(=N)C1;IWRWOZBSUNQMPT-UHFFFAOYSA-N;139.2;0.88;;;;;DOPC;MDCG;27;1;"MARTINI bead: SN0_SP1";;;;;;;0.34;;-4.36;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM410638;MM410638;NCCOCC(=NO)NO;DPNSLJXCDZIBLF-UHFFFAOYSA-N;149.15;-1.27;;;;;DOPC;MDCG;27;1;"MARTINI bead: P3_P2";;;;;;;-2.2;;-7.04;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM410639;MM410639;CCN=NC=CNOC=O;GYZBLUPVOMWFPN-UHFFFAOYSA-N;143.15;0.61;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4_P2";;;;;;;1.09;;-0.38;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM410641;MM410641;N=C(C=C(N)CO)N1CC1;VZNPBWNKMNLJID-UHFFFAOYSA-N;141.17;-0.89;;;;;DOPC;MDCG;27;1;"MARTINI bead: P2_SP2";;;;;;;-1.34;;-7.6;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM410640;MM410640;C=CC1CC1OC=NN;XGILCTZTPSLHLL-UHFFFAOYSA-N;126.16;0.48;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_SC4";;;;;;;1.37;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM410642;MM410642;CONC(=O)N(C=N)C=O;OZBLWCKKZJVTRN-UHFFFAOYSA-N;145.12;-0.68;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_P4";;;;;;;-2.29;;-5.95;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM410643;MM410643;N=C1CC(=CF)CCN1N;YYMRERPPCWPHFS-UHFFFAOYSA-N;143.17;0.79;;;;;DOPC;MDCG;27;1;"MARTINI bead: SP1_SNa";;;;;;;0.04;;-5.3;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM410644;MM410644;OCCOCC(=NO)NO;VTCTYTYIDBTUOS-UHFFFAOYSA-N;150.13;-1.24;;;;;DOPC;MDCG;27;0;"MARTINI bead: P3_P2";;;;;;;-2.2;;-5.19;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM410645;MM410645;N#CC(F)(C=O)CC(=O)O;LHWDOZVBTBZYDQ-UHFFFAOYSA-N;145.09;-0.11;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_Na";;;;;;;0.04;;-7.77;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM410646;MM410646;CCC(C)=CC(=O)N1CC1;SXACZGWMIPXLCH-UHFFFAOYSA-N;139.2;1.18;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1_SP2";;;;;;;1.8;;0.4;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM410647;MM410647;COCON=CCF;NWNMNHHIDRPSOR-UHFFFAOYSA-N;121.11;0.56;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_Na";;;;;;;0.04;;-2.54;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM410648;MM410648;CONC(=O)N(C=O)C=O;ICSJGBVVFQUXHJ-UHFFFAOYSA-N;146.1;-1.13;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_P2";;;;;;;-1.34;;-4.31;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM410649;MM410649;CC=C1CCN(O)C(=N)C1;RSJZYECNZLCCSN-UHFFFAOYSA-N;140.19;1.39;;;;;DOPC;MDCG;27;1;"MARTINI bead: SN0_SNda";;;;;;;1.17;;-2.49;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM410650;MM410650;CNC(COCOC)=NO;RNKOXCAZCATOAD-UHFFFAOYSA-N;148.16;-0.39;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_P2";;;;;;;-1.06;;-3.82;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM410651;MM410651;CC#Cc1nc(C#N)c[nH]1;RHCUXIYSGZOALS-UHFFFAOYSA-N;131.14;0.65;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNd_SNda";;;;;;;0.87;;-1.92;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM410652;MM410652;C=C1CCC(O)C1(C)C;KGKYLBIWTWIHPB-UHFFFAOYSA-N;126.2;1.72;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNda_SC1";;;;;;;2.91;;0.57;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM410653;MM410653;CNC(N)=CC(=N)N1CC1;MKXRTNIXVDUCQD-UHFFFAOYSA-N;140.19;-0.7;;;;;DOPC;MDCG;27;1;"MARTINI bead: P2_SP2";;;;;;;-1.34;;-7.53;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM410654;MM410654;C=NN(C=N)C(=N)NCC;WIGIMMIGHBRUKI-UHFFFAOYSA-N;141.18;0.06;;;;;DOPC;MDCG;27;1;"MARTINI bead: C5_P3";;;;;;;-0.33;;-3.78;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM410655;MM410655;N=C1CC(=CF)CCN1O;FFQPGTXZPGVQEI-UHFFFAOYSA-N;144.15;1.3;;;;;DOPC;MDCG;27;1;"MARTINI bead: SNda_SNa";;;;;;;0.87;;-3.29;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM410656;MM410656;C=Cc1nc(C#CC)n[nH]1;RGJZYSZIDCIJTC-UHFFFAOYSA-N;133.15;0.82;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNda_SNda";;;;;;;0.87;;-2.07;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM410657;MM410657;C=CC(=O)C1NC1CC;SRSIHRFWGYGNEW-UHFFFAOYSA-N;125.17;0.49;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNd_Na";;;;;;;0.87;;-1.88;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM410658;MM410658;C=C1CC(C)C(O)C1C;QBDUJAXERFNRKP-UHFFFAOYSA-N;126.2;1.58;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC3_SNda";;;;;;;2.57;;0.44;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM410659;MM410659;COC(C)=CC(=N)N1CC1;YQUZSDUEHYIQEX-UHFFFAOYSA-N;140.19;0.83;;;;;DOPC;MDCG;27;1;"MARTINI bead: C5_SP2";;;;;;;0.54;;-3.71;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM410660;MM410660;CC=C(C)OC=NNCC;SOHWYQISMFZRRX-UHFFFAOYSA-N;142.2;1.48;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nd_Na";;;;;;;0.87;;-1.88;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM410661;MM410661;CC=C1CCN(C)C(=O)C1;MVWHJJPQWLEZAF-UHFFFAOYSA-N;139.2;1.18;;;;;DOPC;MDCG;27;0;"MARTINI bead: SN0_SNda";;;;;;;1.17;;-1.13;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM410662;MM410662;Oc1nnco1;WTSXVIMLKCKWIW-UHFFFAOYSA-N;86.05;-0.22;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP1_SP2";;;;;;;-1.06;;-8.79;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM410663;MM410663;CC=C(COCCC)OC;QJROWMQPXMKLIF-UHFFFAOYSA-N;144.21;1.96;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_C5";;;;;;;1.64;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM410664;MM410664;C#CC1=NNC(=N)C1=C;FSIIROMIETVFOB-UHFFFAOYSA-N;119.13;0.11;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP1_SP1";;;;;;;-0.79;;-3.13;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM410665;MM410665;CC(C=O)=CC(=N)N1CC1;HTDRXSCQDKYORM-UHFFFAOYSA-N;138.17;0.42;;;;;DOPC;MDCG;27;1;"MARTINI bead: Na_SP2";;;;;;;-0.24;;-6.2;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM410666;MM410666;C=NN(C=N)C(=N)NNC;ZRNKYZBOMJYQFZ-UHFFFAOYSA-N;142.17;-0.83;;;;;DOPC;MDCG;27;1;"MARTINI bead: P4_P2";;;;;;;-2.29;;-7.08;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM410667;MM410667;CN1CCC(=CF)CC1=O;VUSHSYULPXJNDP-UHFFFAOYSA-N;143.16;1.09;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNda_SNa";;;;;;;0.87;;-1.99;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM410668;MM410668;COc1[nH]nc(CO)c1C;JIGBPXOKMYEEBQ-UHFFFAOYSA-N;142.16;0.22;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNda_SP1";;;;;;;0.04;;-2.73;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM410669;MM410669;C=Cc1ccc(C#CC)o1;XEGIHEQDOVYLBS-UHFFFAOYSA-N;132.16;2.29;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC5_SC5";;;;;;;2.41;;0.64;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM410670;MM410670;CC=C(COCCO)OC;CQYJZTOAVWOFHH-UHFFFAOYSA-N;146.19;0.55;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_P2";;;;;;;0.54;;-1.09;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM410671;MM410671;C=CC(N)=CC(=N)N1CC1;NQEYGQYIBFMOPS-UHFFFAOYSA-N;137.19;0.31;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_SP2";;;;;;;-0.24;;-6.49;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM410672;MM410672;CC=CCC(C)C1(O)CC1;OSWMOUHRWNHWMR-UHFFFAOYSA-N;140.23;2.11;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1_SP1";;;;;;;2.08;;0.48;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM410673;MM410673;CC=C1CCN(N)C(=O)C1;GPCLXDAIJUQEEE-UHFFFAOYSA-N;140.19;0.43;;;;;DOPC;MDCG;27;0;"MARTINI bead: SN0_SP1";;;;;;;0.34;;-1.53;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM410674;MM410674;CCCOCC(=CF)OC;KYOKXGJQIKTGNQ-UHFFFAOYSA-N;148.18;1.87;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_N0";;;;;;;1.17;;-1.18;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM410675;MM410675;C=NN=CC(C=O)OC;ZCQLBABEWNDHHZ-UHFFFAOYSA-N;128.13;-0.11;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_N0";;;;;;;0.34;;-1.53;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM410676;MM410676;CC#Cc1ccc(C=O)o1;HFKSHZSTKCZTNI-UHFFFAOYSA-N;134.13;1.46;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC5_SNa";;;;;;;1.64;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM410677;MM410677;N=C(C=C(N)C=O)N1CC1;UOFCVMUEFKFXRY-UHFFFAOYSA-N;139.16;-0.68;;;;;DOPC;MDCG;27;1;"MARTINI bead: P2_SP2";;;;;;;-1.34;;-7.08;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM410678;MM410678;N=c1cnc(N)nn1C=O;XSILEYNWMCBUNL-UHFFFAOYSA-N;139.12;-1.62;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP2_SP3";;;;;;;-2.2;;-5.19;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM410679;MM410679;C#CC=COC(C#C)=NN;HSLWECLPDDISDB-UHFFFAOYSA-N;134.14;0.06;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda_N0";;;;;;;1.17;;-1.13;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM410680;MM410680;CC=C(COCOC)OC;ZIBSWXMOYODTBT-UHFFFAOYSA-N;146.19;1.16;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_C5";;;;;;;0.81;;-0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM410681;MM410681;CC#Cc1ccc(C#N)o1;FSXPUODXEHKORY-UHFFFAOYSA-N;131.13;1.52;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC5_SN0";;;;;;;1.94;;0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM410682;MM410682;COc1n[nH]c(CN)c1C;PELNFCBLQXAJRM-UHFFFAOYSA-N;141.17;0.19;;;;;DOPC;MDCG;27;1;"MARTINI bead: SNda_SP1";;;;;;;0.04;;-3.8;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM410683;MM410683;C=NN(C=N)C(=O)NOC;NYDBYTBQXZZXOX-UHFFFAOYSA-N;144.13;-0.22;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_P2";;;;;;;-1.34;;-4.31;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM410684;MM410684;CC(=O)N(N)C=NN;LTOSBQFYYBIMAW-UHFFFAOYSA-N;116.12;-1.39;;;;;DOPC;MDCG;27;0;"MARTINI bead: P5_P1";;;;;;;-1.94;;-5.95;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM410685;MM410685;CN1CCC(=NN)CC1=N;YSQWCRSSSXGJTK-UHFFFAOYSA-N;140.19;;;;;;DOPC;MDCG;27;1;"MARTINI bead: SNd_SP2";;;;;;;-0.24;;-7.32;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM410686;MM410686;COCOCC(=CF)OC;OUKOMIHWYJKWCQ-UHFFFAOYSA-N;150.15;1.06;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_N0";;;;;;;0.34;;-1.53;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM410687;MM410687;C=COCON=CCF;KQMBOBUOMOMMKI-UHFFFAOYSA-N;133.12;1.08;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_P1";;;;;;;0.81;;-0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM410688;MM410688;C=Cc1ncc(C#CC)o1;GKOZRWGBZKUIID-UHFFFAOYSA-N;133.15;1.69;;;;;DOPC;MDCG;27;0;"MARTINI bead: SN0_SNa";;;;;;;1.17;;-1.18;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM410689;MM410689;C=NN(C=O)C(=O)NOC;HEFRELZKEXWXMI-UHFFFAOYSA-N;145.12;-0.67;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_P2";;;;;;;-1.34;;-4.31;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM410690;MM410690;C#CC(N)=CC(=N)N1CC1;XHTWYGHNIANBEZ-UHFFFAOYSA-N;135.17;-0.24;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_SP2";;;;;;;-0.24;;-6.07;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM410691;MM410691;CN1CCC(=NO)CC1=N;NWGNVGILUDCMEH-UHFFFAOYSA-N;141.17;0.52;;;;;DOPC;MDCG;27;1;"MARTINI bead: SNd_SP2";;;;;;;-0.24;;-7.78;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM410692;MM410692;C#CC(F)C(N)C(F)(F)F;ZPKHEFLAMBUNNG-UHFFFAOYSA-N;155.09;0.85;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_Nd";;;;;;;0.87;;-1.88;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM410693;MM410693;C=NOC=NN=CCF;DZXFBUOWIQOTOY-UHFFFAOYSA-N;131.11;0.6;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_P1";;;;;;;0.81;;-0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM410694;MM410694;CC#Cc1cnc(C=O)o1;HINBYIYEPLBSNI-UHFFFAOYSA-N;135.12;0.86;;;;;DOPC;MDCG;27;0;"MARTINI bead: SN0_SP1";;;;;;;0.34;;-1.53;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM410695;MM410695;C=CN(C=N)C(=C)OCC;HVNAOCRRMAHTJL-UHFFFAOYSA-N;140.19;1.55;;;;;DOPC;MDCG;27;1;"MARTINI bead: C5_P2";;;;;;;0.54;;-3;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM410696;MM410696;C#CC(C)=CC(=O)N1CC1;XKCFRBPWLFVRKA-UHFFFAOYSA-N;135.17;0.41;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_SP2";;;;;;;0.54;;-1.09;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM410697;MM410697;N=C1CC(=NN)CCN1N;VUSWABQZTGJXBR-UHFFFAOYSA-N;141.18;-0.75;;;;;DOPC;MDCG;27;1;"MARTINI bead: SP2_SP1";;;;;;;-1.06;;-6.16;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM410698;MM410698;CCc1noc(CO)c1C;RFVZEYRBUWEIRS-UHFFFAOYSA-N;141.17;1.04;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC5_SNda";;;;;;;1.64;;0.05;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM410699;MM410699;CC#Cc1cnc(C#N)o1;FGBIDVWECAIDIQ-UHFFFAOYSA-N;132.12;0.92;;;;;DOPC;MDCG;27;0;"MARTINI bead: SN0_SNa";;;;;;;1.17;;-1.18;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM410700;MM410700;CCC(C)(C)CC1(O)CC1;VKOYNTLKRPFXAR-UHFFFAOYSA-N;142.24;2.34;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1_SNda";;;;;;;2.91;;0.57;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM410701;MM410701;C=CN(C=O)C(=C)OCC;XMYAYRHPAKWVCL-UHFFFAOYSA-N;141.17;1.1;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_P2";;;;;;;0.54;;-1.09;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM410702;MM410702;CCC(C)N=C(C)N1CC1;GUJDAFWCWFOEPP-UHFFFAOYSA-N;140.23;1.52;;;;;DOPC;MDCG;27;1;"MARTINI bead: N0_SNd";;;;;;;1.17;;-4.18;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM410703;MM410703;N=C1CC(=NO)CCN1N;LIZZVHIYUKZIAC-UHFFFAOYSA-N;142.16;-0.24;;;;;DOPC;MDCG;27;1;"MARTINI bead: SP1_SP2";;;;;;;-1.06;;-6.11;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM410704;MM410704;CCc1noc(CF)c1C;FLQNQXBLXCNKOB-UHFFFAOYSA-N;143.16;2.01;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC5_SNa";;;;;;;1.64;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM410705;MM410705;C=Cc1cnc(C#CC)o1;SRWCIJYDBLZZEO-UHFFFAOYSA-N;133.15;1.69;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC5_SN0";;;;;;;1.94;;0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM410706;MM410706;CCC(=O)C=C(C)N1CC1;YZMQPEZDOFHAQP-UHFFFAOYSA-N;139.2;1.18;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_SNd";;;;;;;0.87;;-1.88;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM410707;MM410707;CC(=O)CN(C)N=CC=O;ZYJLFIHYMHHXOZ-UHFFFAOYSA-N;142.16;-0.31;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_Na";;;;;;;-0.24;;-3.24;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM410708;MM410708;CCOC(=N)N(C=N)C=O;XOIYEFGEASIJSG-UHFFFAOYSA-N;143.15;0.02;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_P3";;;;;;;-0.33;;-2.01;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM410709;MM410709;CC=CC#CC(=NN)OC;SAECXUUIDPIHGX-UHFFFAOYSA-N;138.17;0.48;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_C4";;;;;;;1.37;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM410710;MM410710;CCc1onc(CO)c1C;OHQMZHUQRFVFRP-UHFFFAOYSA-N;141.17;1.04;;;;;DOPC;MDCG;27;0;"MARTINI bead: SN0_SNda";;;;;;;1.17;;-1.13;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM410711;MM410711;CC#Cc1ncc(C=O)o1;ZSEHMQWFFDRKAL-UHFFFAOYSA-N;135.12;0.86;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC5_SP1";;;;;;;0.81;;-0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM410712;MM410712;CCCCN=C(CC)NC;QSKGVNMCFIVSCX-UHFFFAOYSA-N;142.25;1.81;;;;;DOPC;MDCG;27;1;"MARTINI bead: C1_Nd";;;;;;;2.91;;-2.26;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM410713;MM410713;CC(=CC(=N)NN)N1CC1;HVTMVLNOKJWCFK-UHFFFAOYSA-N;140.19;-0.35;;;;;DOPC;MDCG;27;1;"MARTINI bead: P2_SNd";;;;;;;-0.24;;-6.2;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM410714;MM410714;CCOC(=N)N(C=O)C=O;DQXMSRNJMXNZNC-UHFFFAOYSA-N;144.13;-0.43;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda_P4";;;;;;;-1.19;;-4.91;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM410715;MM410715;Cc1c(CO)noc1CO;ZTDPWCJBLXVICR-UHFFFAOYSA-N;143.14;-0.03;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNda_SNda";;;;;;;0.87;;-2.07;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM410716;MM410716;CN1CCC(=NO)CC1=O;IKZPBFRYTGLTNB-UHFFFAOYSA-N;142.16;0.07;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNda_SP2";;;;;;;-0.24;;-3.31;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM410717;MM410717;CC#Cc1ncc(C#N)o1;CYRRSBCGZKLUSG-UHFFFAOYSA-N;132.12;0.92;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC5_SP1";;;;;;;0.81;;-0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM410718;MM410718;CCC(=NCCCO)NC;IBYGQFRBADRHRN-UHFFFAOYSA-N;144.22;0.4;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_Nda";;;;;;;0.87;;-6.41;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM410719;MM410719;CNC(=N)N=C(C)N1CC1;XKQZDBNEQXQWND-UHFFFAOYSA-N;140.19;-0.13;;;;;DOPC;MDCG;27;1;"MARTINI bead: P3_SNd";;;;;;;-1.1;;-8.36;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM410720;MM410720;C=CN(C=C)C(=O)OCC;ABUWPPJBRQFDGF-UHFFFAOYSA-N;141.17;1.73;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_Nd";;;;;;;0.87;;-1.88;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM410721;MM410721;CCc1onc(CF)c1C;JDGHKCANGBDGSW-UHFFFAOYSA-N;143.16;2.01;;;;;DOPC;MDCG;27;0;"MARTINI bead: SN0_SNa";;;;;;;1.17;;-1.18;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM410722;MM410722;COC(C#CC=CF)=NN;YLABHSKNBGTKNH-UHFFFAOYSA-N;142.13;0.39;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_C5";;;;;;;0.81;;-0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM410723;MM410723;C=Cc1nnc(C#CC)o1;YORXDRAMNGULON-UHFFFAOYSA-N;134.14;1.08;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNa_SP1";;;;;;;0.04;;-2.54;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM410724;MM410724;CCCCN=C(CC)NN;RXGAJZFYTGXQNT-UHFFFAOYSA-N;143.23;1.06;;;;;DOPC;MDCG;27;1;"MARTINI bead: C1_P1";;;;;;;2.08;;-1.24;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM410725;MM410725;C=CC(=O)C=C(C)N1CC1;VGMXIHBNXKFKEA-UHFFFAOYSA-N;137.18;0.96;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_SNd";;;;;;;0.87;;-1.88;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM410726;MM410726;CCOC(=O)N(C=N)C=O;RYTVKKRGRKXKME-UHFFFAOYSA-N;144.13;0.21;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_P4";;;;;;;-1.19;;-4.76;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM410727;MM410727;CCC=CC1NC1C=O;IYYCTYYFCHIMQZ-UHFFFAOYSA-N;125.17;0.49;;;;;DOPC;MDCG;27;0;"MARTINI bead: C3_SP2";;;;;;;1.46;;-0.15;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM410728;MM410728;NN1CCC(=NO)CC1=O;OBYYRAAMOUIKRH-UHFFFAOYSA-N;143.15;-0.69;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP1_SP2";;;;;;;-1.06;;-3.82;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM410729;MM410729;CC#Cc1nnc(C=O)o1;LZYDRWDOPHLOBH-UHFFFAOYSA-N;136.11;0.25;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNa_SP2";;;;;;;-0.24;;-3.24;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM410730;MM410730;CCC(=NCCCO)NO;GRKADUHBPPHUTG-UHFFFAOYSA-N;146.19;0.16;;;;;DOPC;MDCG;27;1;"MARTINI bead: P2_Nda";;;;;;;-0.24;;-4.92;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM410731;MM410731;CC(=CC(=O)C#N)N1CC1;BTMXPIXZEKIPMI-UHFFFAOYSA-N;136.15;0.3;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_SNd";;;;;;;0.04;;-2.63;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM410732;MM410732;C=NN(C=O)C(=C)OCC;LUSZYKZKSNUEMW-UHFFFAOYSA-N;142.16;0.57;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_P2";;;;;;;0.54;;-1.09;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM410733;MM410733;CC#Cc1nnc(C#N)o1;YHBGFPNMJBHTOP-UHFFFAOYSA-N;133.11;0.31;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNa_SP1";;;;;;;0.04;;-2.54;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM410734;MM410734;CCc1noc(CO)c1N;WLGRMNVEJUEFAL-UHFFFAOYSA-N;142.16;0.31;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC5_SP2";;;;;;;0.54;;-1.09;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM410735;MM410735;CC=C1CCN(C)C(=N)N1;GDBGMJCOPURQFK-UHFFFAOYSA-N;139.2;0.75;;;;;DOPC;MDCG;27;1;"MARTINI bead: SNd_SNd";;;;;;;0.87;;-7.13;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM410736;MM410736;CN=C(CN)NCCCN;RBDSTRLDOAGUOM-UHFFFAOYSA-N;144.22;-1.09;;;;;DOPC;MDCG;27;1;"MARTINI bead: P3_Nd";;;;;;;-1.1;;-7.05;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM410737;MM410737;C=C1CC2CC2(CC)C1C;SKQGFILZRQFNSM-UHFFFAOYSA-N;136.24;3;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC3_SC3";;;;;;;4.27;;0.2;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM410738;MM410738;C=NN(C=O)C(=N)OCC;LNMFFAANHMPQOD-UHFFFAOYSA-N;143.15;0.03;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda_P2";;;;;;;-0.24;;-3.31;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM410739;MM410739;CN1CCC(=CF)NC1=N;NSZAIDSNSXQONA-UHFFFAOYSA-N;143.17;0.66;;;;;DOPC;MDCG;27;1;"MARTINI bead: SNd_SP1";;;;;;;0.04;;-6.46;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM410740;MM410740;C#CC1=CC=C(C#CC)C1;CWWZHXFMOTUYDR-UHFFFAOYSA-N;128.17;1.9;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC4_SC5";;;;;;;2.97;;0.45;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM410741;MM410741;CCc1onc(CO)c1N;BQHWRRAKMJKBDI-UHFFFAOYSA-N;142.16;0.31;;;;;DOPC;MDCG;27;0;"MARTINI bead: SN0_SP1";;;;;;;0.34;;-1.53;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM410742;MM410742;NCCCN=C(CN)NO;GFYPEPUKJMSNNB-UHFFFAOYSA-N;146.19;-1.33;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_P4";;;;;;;-1.19;;-6.97;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM410743;MM410743;CCC12CC1CC(=O)C2C;GEQVJBUORFLRBP-UHFFFAOYSA-N;138.21;2.01;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC3_SNa";;;;;;;2.57;;0.45;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM410744;MM410744;C=NN(C=N)C(=O)OCC;PHMMPOWMZIYHBH-UHFFFAOYSA-N;143.15;0.67;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_P2";;;;;;;-0.24;;-3.24;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM410745;MM410745;C#CC1=NN=C(C#CC)C1;BDYWHKQZXAOGHS-UHFFFAOYSA-N;130.15;0.84;;;;;DOPC;MDCG;27;0;"MARTINI bead: SN0_SN0";;;;;;;1.47;;-0.05;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM410746;MM410746;CC=C1CCN(N)C(=N)N1;VPWYTQKDSGHAQU-UHFFFAOYSA-N;140.19;-0.01;;;;;DOPC;MDCG;27;1;"MARTINI bead: SNd_SP2";;;;;;;-0.24;;-7.32;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM410747;MM410747;CN=c1o[nH]c(CN)c1C;NSXXLDKCJAORAV-UHFFFAOYSA-N;141.17;-0.09;;;;;DOPC;MDCG;27;1;"MARTINI bead: SP2_SP1";;;;;;;-1.06;;-5.51;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM410748;MM410748;CNC12CC1CC(=O)C2C;PXHGOJWYBNBHHW-UHFFFAOYSA-N;139.2;0.57;;;;;DOPC;MDCG;27;1;"MARTINI bead: SNd_SNa";;;;;;;0.87;;-4.21;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM410749;MM410749;CCCCN=C(CO)NC;WRDSMGRSDDZCEW-UHFFFAOYSA-N;144.22;0.4;;;;;DOPC;MDCG;27;1;"MARTINI bead: C1_P5";;;;;;;0.93;;-3.96;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM410750;MM410750;C=NN(C=O)C(=O)OCC;GYCSBPPWSYFVSW-UHFFFAOYSA-N;144.13;0.22;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_P2";;;;;;;-0.24;;-3.24;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM410751;MM410751;N=C1NC(=CF)CCN1N;CZVJDAWBYBGMCB-UHFFFAOYSA-N;144.15;-0.1;;;;;DOPC;MDCG;27;1;"MARTINI bead: SP2_SP1";;;;;;;-1.06;;-6.81;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM410752;MM410752;C#Cc1ccc(C#CC)[nH]1;QOUQFLNQUFQQFI-UHFFFAOYSA-N;129.16;1.37;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC5_SN0";;;;;;;1.94;;0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM410753;MM410753;CCc1noc(OC)c1C;MYLYCXIMPITIFF-UHFFFAOYSA-N;141.17;1.55;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC5_SNa";;;;;;;1.64;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM410754;MM410754;CCC(=NN)NCCNC;BOKZWSSLRLMTCV-UHFFFAOYSA-N;144.22;-0.52;;;;;DOPC;MDCG;27;1;"MARTINI bead: C5_P5";;;;;;;-0.34;;-5.4;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM410755;MM410755;C#CC12CC1CC(=N)N2C;IDWKZGGMKVTNMK-UHFFFAOYSA-N;134.18;0.69;;;;;DOPC;MDCG;27;1;"MARTINI bead: SNd_SN0";;;;;;;1.17;;-3.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM410756;MM410756;C=CCC(=C)C(C=C)C=O;OISMIZZIHVNJQO-UHFFFAOYSA-N;136.19;2.12;;;;;DOPC;MDCG;27;0;"MARTINI bead: C2_Na";;;;;;;2.83;;0.35;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM410757;MM410757;C#CC1CC1OC=NN;RKNFTFKWZKNDJO-UHFFFAOYSA-N;124.14;-0.07;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_SC5";;;;;;;0.81;;-0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM410758;MM410758;CC=C1CCN(O)C(=N)N1;PGPFJUXJZISKJH-UHFFFAOYSA-N;141.17;0.51;;;;;DOPC;MDCG;27;1;"MARTINI bead: SNd_SP2";;;;;;;-0.24;;-5.86;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM410759;MM410759;C=C(C)CC(C)(O)C(=C)C;QDHLLKWDKZCFRK-UHFFFAOYSA-N;140.23;2.28;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4_N0";;;;;;;2.5;;0.44;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM410760;MM410760;CNCCN=C(CO)NC;YFKWGOPGBRINGN-UHFFFAOYSA-N;145.21;-1.18;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_P5";;;;;;;-1.11;;-8.07;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM410761;MM410761;C#CC12CC1CC(=O)N2C;IAILTRCJNTXKSI-UHFFFAOYSA-N;135.17;0.24;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP1_SN0";;;;;;;0.34;;-1.53;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM410762;MM410762;C=CC(C=O)C(=C)CC=O;GEOWWPHPHSMHTJ-UHFFFAOYSA-N;138.17;1.13;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_Na";;;;;;;0.87;;-2.22;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM410763;MM410763;N#CC=CC1NC1C=O;VJENQYXOAHAVOQ-UHFFFAOYSA-N;122.13;-0.39;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP2_N0";;;;;;;0.06;;-2.21;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM410764;MM410764;N=C1NC(=CF)CCN1O;WRZOQXBUYYPSMB-UHFFFAOYSA-N;145.14;0.42;;;;;DOPC;MDCG;27;1;"MARTINI bead: SP2_SP1";;;;;;;-1.06;;-5.26;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM410765;MM410765;CCc1onc(OC)c1C;QUIGULFOLOKZJT-UHFFFAOYSA-N;141.17;1.55;;;;;DOPC;MDCG;27;0;"MARTINI bead: SN0_SNa";;;;;;;1.17;;-1.18;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM410766;MM410766;C#CC12CN1CC(=C)C2C;LYHMEYHRZMHPIP-UHFFFAOYSA-N;133.19;0.88;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP1_SNd";;;;;;;0.04;;-2.63;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM410767;MM410767;CNCCN=C(CO)NN;LAGKHZSBHHITQB-UHFFFAOYSA-N;146.19;-1.94;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_P4";;;;;;;-1.19;;-6.5;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM410768;MM410768;C=CC(C=O)C(=C)CC#N;OZLBAVWKQNGQAO-UHFFFAOYSA-N;135.17;1.46;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_N0";;;;;;;1.17;;-1.18;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM410769;MM410769;CC=C1CCN(C)C(=O)N1;OLVRMBXXJYRLDZ-UHFFFAOYSA-N;140.19;0.94;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNd_SP1";;;;;;;0.04;;-2.63;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM410770;MM410770;C#Cc1nc(C#CC)n[nH]1;GKFKIDWMYHHKBB-UHFFFAOYSA-N;131.14;0.16;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNda_SP1";;;;;;;0.04;;-2.73;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM410771;MM410771;CNN(C=O)C=NN;RFQVUBBOXIDDPW-UHFFFAOYSA-N;116.12;-1.52;;;;;DOPC;MDCG;27;0;"MARTINI bead: P4_P1";;;;;;;-2.01;;-5.13;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM410772;MM410772;C=CC(O)(CC)CC(=C)C;XLKNVCJVZNARQD-UHFFFAOYSA-N;140.23;2.28;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_C4";;;;;;;2.97;;0.45;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM410773;MM410773;CNCCN=C(CO)NO;URXBNLGMKQTQKB-UHFFFAOYSA-N;147.18;-1.42;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_P4";;;;;;;-1.19;;-6.34;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM410774;MM410774;C=C(CC=O)C(C=O)C=O;FYBBXNXXPDPAKX-UHFFFAOYSA-N;140.14;0.15;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_Na";;;;;;;0.87;;-2.22;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM410775;MM410775;C=NNC(C)C1(C#N)CN1;MHQLQAAYQGVOCQ-UHFFFAOYSA-N;138.17;-0.55;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nd_SP2";;;;;;;-0.24;;-3.16;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM410776;MM410776;C#Cc1ccc(C#CC)o1;LNZORCJWKBVDJL-UHFFFAOYSA-N;130.15;1.63;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC5_SN0";;;;;;;1.94;;0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM410777;MM410777;C#CC12CN1CC(=C)C2N;ITQIUFPPDMYYKF-UHFFFAOYSA-N;134.18;-0.43;;;;;DOPC;MDCG;27;1;"MARTINI bead: SP2_SNd";;;;;;;-0.24;;-4.48;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM410778;MM410778;C=CC1=C(C)C(CC)=CC1;XUJKRATZFHBVFA-UHFFFAOYSA-N;134.22;3.23;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC3_SC3";;;;;;;4.27;;0.2;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM410779;MM410779;CNCCN=C(CF)NO;UVEWAELDHJZICC-UHFFFAOYSA-N;149.17;-0.45;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_P2";;;;;;;-0.24;;-4.61;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM410780;MM410780;C=CC(C=C)C(=O)CC#N;RNLYGSYDXSSZGS-UHFFFAOYSA-N;135.17;1.46;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_P1";;;;;;;0.81;;-0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM410781;MM410781;CNc1ncc(=N)n(N)n1;LLEHYGYQRHOEIT-UHFFFAOYSA-N;140.15;-1.49;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP1_SP3";;;;;;;-1.93;;-4.72;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM410782;MM410782;C#Cc1ncc(C#CC)o1;MHADMLCRXXWFEY-UHFFFAOYSA-N;131.13;1.03;;;;;DOPC;MDCG;27;0;"MARTINI bead: SN0_SNa";;;;;;;1.17;;-1.18;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM410783;MM410783;C#CC12CC1CC(F)C2=C;MFWIPJKIJLEAHX-UHFFFAOYSA-N;136.17;1.92;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC5_SC4";;;;;;;2.97;;0.45;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM410784;MM410784;CCC1=CCC(C=O)=C1C;UTIXBANXMQMPJQ-UHFFFAOYSA-N;136.19;2.24;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC3_SNa";;;;;;;2.57;;0.45;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM410785;MM410785;CCC(=NCCOC)NC;UUMGZVSEZLLZKD-UHFFFAOYSA-N;144.22;0.66;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_Na";;;;;;;0.87;;-5.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM410786;MM410786;C=CCC(=O)C(C=C)C=O;MNRWLDLKSBTXDL-UHFFFAOYSA-N;138.17;1.13;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_Na";;;;;;;0.87;;-2.22;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM410787;MM410787;CN=C1CCN(C)C(=N)N1;SJKJVEDVAUEDDJ-UHFFFAOYSA-N;140.19;-0.13;;;;;DOPC;MDCG;27;1;"MARTINI bead: SP2_SNd";;;;;;;-0.24;;-7.02;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM410788;MM410788;C#CC12CC1CN(C)C2=N;BHSBSCDKMPLRPZ-UHFFFAOYSA-N;134.18;0.55;;;;;DOPC;MDCG;27;1;"MARTINI bead: SNd_SP1";;;;;;;0.04;;-5.96;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM410789;MM410789;C#Cc1cnc(C#CC)o1;KGILWTMVULCIBM-UHFFFAOYSA-N;131.13;1.03;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC5_SN0";;;;;;;1.94;;0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM410790;MM410790;CCC1=CCC(C#N)=C1C;IQPIKNIBUSZLLK-UHFFFAOYSA-N;133.19;2.57;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC3_SN0";;;;;;;2.87;;0.37;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM410791;MM410791;CC(=O)C(C)NN(C)C=O;OXOILKZSUCLWPA-UHFFFAOYSA-N;144.17;-0.44;;;;;DOPC;MDCG;27;0;"MARTINI bead: P4_Na";;;;;;;-1.19;;-4.76;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM410792;MM410792;CN=C1CCN(N)C(=N)N1;OONMQMPAKNZPOV-UHFFFAOYSA-N;141.18;-0.88;;;;;DOPC;MDCG;27;1;"MARTINI bead: SP2_SP2";;;;;;;-1.34;;-7.4;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM410793;MM410793;N=C(CO)NC(=O)C(=O)O;QEAMXIFEZUOJJU-UHFFFAOYSA-N;146.1;-1.84;;;;;DOPC;MDCG;27;0;"MARTINI bead: P4_P1";;;;;;;-2.01;;-9.03;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM410794;MM410794;C=C1C(=O)CC2CC12CC;UFHHIHVVNWXETC-UHFFFAOYSA-N;136.19;1.93;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC3_SNa";;;;;;;2.57;;0.45;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM410795;MM410795;C#Cc1nnc(C#CC)o1;QGYAARLEMAYQSG-UHFFFAOYSA-N;132.12;0.42;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNa_SP1";;;;;;;0.04;;-2.54;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM410796;MM410796;C=CC1=C(C)C(CN)=CC1;IHXIZWLUCZXATL-UHFFFAOYSA-N;135.21;1.78;;;;;DOPC;MDCG;27;1;"MARTINI bead: SC3_SNd";;;;;;;2.57;;-0.92;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM410797;MM410797;CNC(CO)=NCCOC;UOJFNVZKMOGVBO-UHFFFAOYSA-N;146.19;-0.76;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1_P1";;;;;;;-0.79;;-5.77;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM410798;MM410798;CN=c1c(F)c(O)[nH]n1O;TVULZKFLEJJNMD-UHFFFAOYSA-N;147.11;-0.57;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNda_SP2";;;;;;;-0.24;;-7.96;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM410799;MM410799;N=C1NC(=NN)CCN1N;SSZOZNJXKHHMIR-UHFFFAOYSA-N;142.17;-1.64;;;;;DOPC;MDCG;27;1;"MARTINI bead: SP2_SP2";;;;;;;-1.34;;-6.98;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM410800;MM410800;C=C1C(=N)NC2CC12CC;JEQQBBLGZWDUMV-UHFFFAOYSA-N;136.2;1.29;;;;;DOPC;MDCG;27;1;"MARTINI bead: SC3_SNd";;;;;;;2.57;;-2.92;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM410801;MM410801;CCCC1C=C(CC)CC1;VWXHKCUVTHNNKQ-UHFFFAOYSA-N;138.25;3.53;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC1_SC2";;;;;;;4.87;;0.53;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM410802;MM410802;COCCN=C(CF)NN;MWRDTHXRCZLAJP-UHFFFAOYSA-N;149.17;-0.54;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_P2";;;;;;;-0.24;;-3.24;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM410803;MM410803;C=CC1=C(C)C(CO)=CC1;WCWRQEDZAJRFND-UHFFFAOYSA-N;136.19;1.81;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC3_SNda";;;;;;;2.57;;0.44;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM410804;MM410804;N=C1NC(=NO)CCN1N;RZPCMWVNTKLYQK-UHFFFAOYSA-N;143.15;-1.12;;;;;DOPC;MDCG;27;1;"MARTINI bead: SP2_SP2";;;;;;;-1.34;;-6.42;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM410805;MM410805;C=CC(C=C)C(=C)NC=N;KFTGMOZTGBBADL-UHFFFAOYSA-N;136.2;1.68;;;;;DOPC;MDCG;27;1;"MARTINI bead: C2_P2";;;;;;;1.72;;-3.01;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM410806;MM410806;C=C1C(=O)NC2CC12CC;VOIPIZXBUBSSMG-UHFFFAOYSA-N;137.18;0.84;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC3_SP1";;;;;;;1.74;;0.29;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM410807;MM410807;CCC1=CC(CCN)CC1;KYUNCXKVAZRMAA-UHFFFAOYSA-N;139.24;2.08;;;;;DOPC;MDCG;27;1;"MARTINI bead: SC2_SC5";;;;;;;3.6;;0.55;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM410808;MM410808;CC1=C(C=O)CC=C1CO;ZIULEBLKCIDQHA-UHFFFAOYSA-N;138.17;0.82;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNa_SNda";;;;;;;0.87;;-1.99;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM410809;MM410809;CN=C1CCN(O)C(=N)N1;BYQSRVSPRFJRCG-UHFFFAOYSA-N;142.16;-0.37;;;;;DOPC;MDCG;27;1;"MARTINI bead: SP2_SP2";;;;;;;-1.34;;-6.02;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM410810;MM410810;CC(C)C=NN=C(N)C=O;OFQXMGXHECYNIO-UHFFFAOYSA-N;141.17;0.18;;;;;DOPC;MDCG;27;0;"MARTINI bead: C3_P3";;;;;;;0.6;;-0.8;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM410811;MM410811;C=CC(C=C)C(=C)NC=O;PLNRPDQFJALBTG-UHFFFAOYSA-N;137.18;1.23;;;;;DOPC;MDCG;27;0;"MARTINI bead: C2_P2";;;;;;;1.72;;0.27;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM410812;MM410812;C=CC12CC1CC(=O)C2=C;WSEDTSFBBZMELQ-UHFFFAOYSA-N;134.18;1.71;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC4_SNa";;;;;;;2.2;;0.34;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM410813;MM410813;CCCC1C=C(CN)CC1;FVZZPOPUWRBTRX-UHFFFAOYSA-N;139.24;2.08;;;;;DOPC;MDCG;27;1;"MARTINI bead: SC1_SNd";;;;;;;2.91;;-0.08;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM410814;MM410814;N=C1NC(=NN)CCN1O;VZGZJEMJFOGRSC-UHFFFAOYSA-N;143.15;-1.12;;;;;DOPC;MDCG;27;1;"MARTINI bead: SP2_SP2";;;;;;;-1.34;;-5.4;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM410815;MM410815;CNC(=NN)NCCCO;MGLYXWANQQSSOG-UHFFFAOYSA-N;146.19;-1.59;;;;;DOPC;MDCG;27;1;"MARTINI bead: P3_Nda";;;;;;;-1.1;;-7.42;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM410816;MM410816;CC1=C(C#N)CC=C1CO;DRLVDGPKMTVWOM-UHFFFAOYSA-N;135.17;1.15;;;;;DOPC;MDCG;27;0;"MARTINI bead: SN0_SNda";;;;;;;1.17;;-1.13;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM410817;MM410817;C=C1C(=O)CC2CC12C#N;GYQYEUMJVPVUOR-UHFFFAOYSA-N;133.15;1.05;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNa_SC5";;;;;;;1.64;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM410818;MM410818;C=C(NC=O)C(C=O)C=O;XLUOOGQWHAWESA-UHFFFAOYSA-N;141.13;-0.74;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_Na";;;;;;;-0.24;;-3.24;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM410819;MM410819;NCCC1C=C(CN)CC1;GYXXYPYTNHBSPC-UHFFFAOYSA-N;140.23;0.63;;;;;DOPC;MDCG;27;1;"MARTINI bead: SC5_SNd";;;;;;;1.64;;-2.79;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM410820;MM410820;C=CC12CC(C)C(N1)C2=O;HAUFSGNKQKUATO-UHFFFAOYSA-N;137.18;0.49;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP1_SN0";;;;;;;0.34;;-1.53;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM410821;MM410821;CC1=C(C=O)CC=C1CF;OIFLJYBYZLIXNK-UHFFFAOYSA-N;140.16;1.8;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNa_SC5";;;;;;;1.64;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM410822;MM410822;CNC(=NO)NCCCN;YWRABZDHJAYNII-UHFFFAOYSA-N;146.19;-1.11;;;;;DOPC;MDCG;27;1;"MARTINI bead: P3_Nd";;;;;;;-1.1;;-5.81;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM410823;MM410823;C=C(NC=O)C(C#N)C=O;WEXDJVSVDQAMMF-UHFFFAOYSA-N;138.13;-0.42;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_Na";;;;;;;-0.24;;-3.24;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM410824;MM410824;C#CC12CC1CC(=C)C2=C;LLTCGFPCXFIVGB-UHFFFAOYSA-N;130.19;2.14;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC4_SC4";;;;;;;3.53;;0.53;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM410825;MM410825;NCCC1C=C(CO)CC1;NTDCFKWBMKDWEB-UHFFFAOYSA-N;141.21;0.66;;;;;DOPC;MDCG;27;1;"MARTINI bead: SC5_SNda";;;;;;;1.64;;-2.66;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM410826;MM410826;C=C1CCC(=CC)CC1=C;LOIPEOVNZZNFCR-UHFFFAOYSA-N;134.22;3.23;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC1_SC3";;;;;;;4.61;;0.31;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM410827;MM410827;CC1=C(C#N)CC=C1CF;CEQWNFGPXJHBJQ-UHFFFAOYSA-N;137.16;2.13;;;;;DOPC;MDCG;27;0;"MARTINI bead: SN0_SC5";;;;;;;1.94;;0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM410828;MM410828;CN=C(NN)NCCCO;MGLYXWANQQSSOG-UHFFFAOYSA-N;146.19;-1.59;;;;;DOPC;MDCG;27;1;"MARTINI bead: P3_Nda";;;;;;;-1.1;;-7.87;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM410829;MM410829;C=CC(C#N)C(=N)NC=N;ZAJGNRMAEYUJES-UHFFFAOYSA-N;136.16;0.49;;;;;DOPC;MDCG;27;1;"MARTINI bead: N0_P4";;;;;;;-0.88;;-5.19;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM410830;MM410830;NCCC1C=C(CF)CC1;MNHCRVDYGLDLJR-UHFFFAOYSA-N;143.21;1.64;;;;;DOPC;MDCG;27;1;"MARTINI bead: SC5_SC5";;;;;;;2.41;;-0.47;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM410831;MM410831;C#CC12CC1CC(=O)C2=C;FVQJQUXWZOFVMS-UHFFFAOYSA-N;132.16;1.15;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNa_SC4";;;;;;;2.2;;0.34;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM410832;MM410832;C=C1CCC(=CF)CC1=C;LMRRFTPZUJYKLQ-UHFFFAOYSA-N;138.19;3.14;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC4_SC3";;;;;;;3.9;;0.47;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM410833;MM410833;CCC1=CCC(C=O)=C1N;MQNCMAARGZIAIL-UHFFFAOYSA-N;137.18;1.14;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC3_SP1";;;;;;;1.74;;0.29;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM410834;MM410834;NN=C(NN)NCCCO;ZXQAWGXHELDKNM-UHFFFAOYSA-N;147.18;-2.35;;;;;DOPC;MDCG;27;1;"MARTINI bead: P4_Nda";;;;;;;-1.19;;-7.55;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM410835;MM410835;CNCC1C=C(CN)CC1;BRIOWORKDKJMME-UHFFFAOYSA-N;140.23;0.5;;;;;DOPC;MDCG;27;1;"MARTINI bead: SNd_SNd";;;;;;;0.87;;-5.33;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM410836;MM410836;N=CNC(=N)C(C=O)C=O;XWVKYNZYIRFWLQ-UHFFFAOYSA-N;141.13;-0.83;;;;;DOPC;MDCG;27;1;"MARTINI bead: P4_Na";;;;;;;-1.19;;-6.29;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM410837;MM410837;C#CC12NC1CC(=C)C2=C;NLDUUXSSCZUFHD-UHFFFAOYSA-N;131.18;0.85;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC4_SNd";;;;;;;2.2;;0.32;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM410838;MM410838;C=C1CC(=CC)CCC1=O;ZWLHOOHFMDKTOT-UHFFFAOYSA-N;136.19;2.24;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC1_SNa";;;;;;;2.91;;0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM410839;MM410839;CN=C(NO)NCCCO;PIGFGDFTGZWGHT-UHFFFAOYSA-N;147.18;-1.08;;;;;DOPC;MDCG;27;1;"MARTINI bead: P2_P1";;;;;;;-1.06;;-6.79;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM410840;MM410840;C=CCCC(C)C(C)(C)O;WNDLJZNMDFHNFN-UHFFFAOYSA-N;142.24;2.36;;;;;DOPC;MDCG;27;0;"MARTINI bead: C3_C5";;;;;;;3.34;;0.48;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM410841;MM410841;CNCC1C=C(CO)CC1;KZWUNYIWXZPKRH-UHFFFAOYSA-N;141.21;0.53;;;;;DOPC;MDCG;27;1;"MARTINI bead: SNd_SNda";;;;;;;0.87;;-5.08;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM410842;MM410842;C=CN(C=O)C=NN;GGKUTQCOKJZGIK-UHFFFAOYSA-N;113.12;-0.51;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_P2";;;;;;;-1.06;;-3.82;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM410843;MM410843;N#CC(C=O)C(=N)NC=N;SXMBEHJHKDKQIP-UHFFFAOYSA-N;138.13;-0.5;;;;;DOPC;MDCG;27;1;"MARTINI bead: P4_Na";;;;;;;-1.19;;-6.15;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM410844;MM410844;C=C1CC(=CF)CCC1=O;JOWCUEDKLPABQO-UHFFFAOYSA-N;140.16;2.15;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC4_SNa";;;;;;;2.2;;0.34;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM410845;MM410845;NN=C(NO)NCCCO;GQJLRMUKNNAUQI-UHFFFAOYSA-N;148.17;-1.83;;;;;DOPC;MDCG;27;1;"MARTINI bead: P4_Nda";;;;;;;-1.19;;-6.36;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM410846;MM410846;N#CC1=C(N)C(CF)=CC1;OVZBXSIVZMUBHR-UHFFFAOYSA-N;138.15;1.02;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNd_SC5";;;;;;;1.64;;0.02;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM410847;MM410847;COC1=CC(CCN)CC1;XTXHOJAAJXWMTC-UHFFFAOYSA-N;141.21;1.28;;;;;DOPC;MDCG;27;1;"MARTINI bead: SC5_SC5";;;;;;;2.41;;-0.47;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM410848;MM410848;N=C(NC=O)C(C=O)C=O;KNNUIPNPHBSADQ-UHFFFAOYSA-N;142.11;-1.28;;;;;DOPC;MDCG;27;0;"MARTINI bead: P4_Na";;;;;;;-1.19;;-4.76;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM410849;MM410849;C#CC12OC1CC(=O)C2=C;IADDDPNZRQEEJR-UHFFFAOYSA-N;134.13;0.29;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNa_SNa";;;;;;;0.87;;-2.22;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM410850;MM410850;C=C1CCC(=CC)CC1=O;HDXDBSZHMZCDJS-UHFFFAOYSA-N;136.19;2.24;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC1_SNa";;;;;;;2.91;;0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM410851;MM410851;C=CC1=C(C)C(OC)=CC1;DASCSTXNSCOSGK-UHFFFAOYSA-N;136.19;2.42;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNa_SC3";;;;;;;2.57;;0.45;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM410852;MM410852;NCCCNC(=NO)NO;GQMRBLGSJYURRK-UHFFFAOYSA-N;148.17;-1.35;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_P4";;;;;;;-1.19;;-6.7;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM410853;MM410853;N#CC(C=O)C(=N)NC=O;NBKUOZBMEJEQDB-UHFFFAOYSA-N;139.11;-0.95;;;;;DOPC;MDCG;27;0;"MARTINI bead: P4_Na";;;;;;;-1.19;;-4.76;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM410854;MM410854;CCC1=CC(CCN)CO1;GYUBSUYHWZUSII-UHFFFAOYSA-N;141.21;1.28;;;;;DOPC;MDCG;27;1;"MARTINI bead: SC5_SP1";;;;;;;0.81;;-3.26;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM410856;MM410856;C=C1CCC(=CF)CC1=O;QMAPYQKKFAILLX-UHFFFAOYSA-N;140.16;2.15;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC4_SNa";;;;;;;2.2;;0.34;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM410855;MM410855;CNC12CC1C=C(C)C2C;DHGQDJBBPMDDPO-UHFFFAOYSA-N;137.23;1.56;;;;;DOPC;MDCG;27;1;"MARTINI bead: SNd_SC2";;;;;;;2.83;;-0.73;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM410857;MM410857;COC1=CCC(C=O)=C1C;HCJWIBBYYFANPP-UHFFFAOYSA-N;138.17;1.44;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNa_SNa";;;;;;;0.87;;-2.22;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM410858;MM410858;C=CC(=O)C=NNC(C)C;BKYVBJKALAZKMB-UHFFFAOYSA-N;140.19;0.73;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nd_Na";;;;;;;0.87;;-1.88;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM410859;MM410859;C=CNC(=O)C(C=C)C=C;PUJIBJHUNRPMMR-UHFFFAOYSA-N;137.18;1.23;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_C2";;;;;;;1.72;;0.27;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM410860;MM410860;NCCC1C=C(CN)OC1;KWEDYCQBAAWEAV-UHFFFAOYSA-N;142.2;-0.18;;;;;DOPC;MDCG;27;1;"MARTINI bead: SP1_SP2";;;;;;;-1.06;;-6.59;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM410861;MM410861;CC=C1CCC(=O)C(=O)C1;ZDYWWUWOOICKGL-UHFFFAOYSA-N;138.17;1.25;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC1_SNa";;;;;;;2.91;;0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM410862;MM410862;COC1=CCC(C#N)=C1C;ILDRMMLOBZMMIF-UHFFFAOYSA-N;135.17;1.76;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNa_SN0";;;;;;;1.17;;-1.18;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM410863;MM410863;C=CC12OC1C=C(C)C2C;VCCFUTIIYSCYLC-UHFFFAOYSA-N;136.19;1.91;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC2_SNa";;;;;;;2.83;;0.35;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM410864;MM410864;CN=C(NC)NCCNC;WGAKDFGRUQZHRC-UHFFFAOYSA-N;144.22;-1;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1_P1";;;;;;;-0.79;;-8.07;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM410865;MM410865;O=c1n(O)nc(O)n1O;DJIQPWQLHXAESR-UHFFFAOYSA-N;133.06;-1.78;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP2_SP3";;;;;;;-2.2;;-9.47;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM410866;MM410866;CCC1=CC(CNC)CO1;INHJOYHFOQFQPJ-UHFFFAOYSA-N;141.21;1.15;;;;;DOPC;MDCG;27;1;"MARTINI bead: SC5_SNd";;;;;;;1.64;;-2.84;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM410867;MM410867;O=C1CCC(=CF)CC1=O;XDLZYNFPUJFFBT-UHFFFAOYSA-N;142.13;1.16;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC4_SNa";;;;;;;2.2;;0.34;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM410868;MM410868;CCc1c[nH]c(C#N)c1C;MKSKMFAFOYWAFZ-UHFFFAOYSA-N;134.18;1.76;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC5_SNd";;;;;;;1.64;;0.02;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM410869;MM410869;C=CC12CC1C=C(C)C2=C;YJDLZUNXPUIYEP-UHFFFAOYSA-N;132.21;2.69;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC4_SC4";;;;;;;3.53;;0.53;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM410870;MM410870;CNCCNC(=NN)NC;BAXSJNVYTXEWJV-UHFFFAOYSA-N;145.21;-1.76;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_P3";;;;;;;-1.1;;-7.4;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM410871;MM410871;CN(C=NO)C(=O)C(=O)O;USZQZEOYBKRYFL-UHFFFAOYSA-N;146.1;-1.05;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_P2";;;;;;;-1.06;;-8.5;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM410872;MM410872;CCNC1C=C(CC)OC1;VYEASNAHIUIGKU-UHFFFAOYSA-N;141.21;1.29;;;;;DOPC;MDCG;27;1;"MARTINI bead: SNd_SC5";;;;;;;1.64;;-1.45;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM410873;MM410873;C=C1CCC(=NN)CC1=C;OUOPMNSUYBLRLH-UHFFFAOYSA-N;136.2;1.6;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC5_SC3";;;;;;;3.34;;0.48;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM410874;MM410874;CNCCNC(=NO)NC;ORGGIZOXUHXEJW-UHFFFAOYSA-N;146.19;-1.24;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_P3";;;;;;;-1.1;;-5.45;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM410875;MM410875;C=Cc1[nH]cc(CN)c1C;COQYPILCQCQIRO-UHFFFAOYSA-N;136.2;1.42;;;;;DOPC;MDCG;27;1;"MARTINI bead: SNd_SNd";;;;;;;0.87;;-4;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM410876;MM410876;C=CC12NC1C=C(F)C2=C;VINBVWIVXRLTFF-UHFFFAOYSA-N;137.16;1.31;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC4_SNd";;;;;;;2.2;;0.32;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM410877;MM410877;CCNC1C=C(CF)OC1;OQWBJTNKJVKYGJ-UHFFFAOYSA-N;145.18;0.85;;;;;DOPC;MDCG;27;1;"MARTINI bead: SNd_SNa";;;;;;;0.87;;-3.43;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM410878;MM410878;C=C(C#CC(=O)O)OC;HGAYNBGOHZJQGW-UHFFFAOYSA-N;126.11;0.23;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_P1";;;;;;;0.81;;-5.27;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM410879;MM410879;C=C1CCC(=NO)CC1=C;ACDJCRNXPDHWJV-UHFFFAOYSA-N;137.18;2.11;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC5_SC3";;;;;;;3.34;;0.48;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM410880;MM410880;Cc1c(CO)c[nH]c1C#N;INBMADFIUNEEHI-UHFFFAOYSA-N;136.15;0.69;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNda_SNd";;;;;;;0.87;;-1.92;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM410881;MM410881;CN=C(NN)NCCNC;BAXSJNVYTXEWJV-UHFFFAOYSA-N;145.21;-1.76;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_P3";;;;;;;-1.1;;-7.94;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM410882;MM410882;CCC1CC2CC2(CC)C1;CMTICFNCJZUPEB-UHFFFAOYSA-N;138.25;3.22;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC1_SC2";;;;;;;4.87;;0.53;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM410883;MM410883;CCC1=CC(CCN)NC1;SAFIQPSYHXARNE-UHFFFAOYSA-N;140.23;0.64;;;;;DOPC;MDCG;27;1;"MARTINI bead: SN0_SP1";;;;;;;0.34;;-4.78;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM410884;MM410884;C=NNC=NC(C=O)=CN;NPBLIEGONVPMJS-UHFFFAOYSA-N;140.15;-0.78;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_Nda";;;;;;;-0.24;;-3.31;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM410885;MM410885;C=Cc1[nH]cc(CF)c1C;OIQPBOBFFKQECU-UHFFFAOYSA-N;139.17;2.44;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNa_SNd";;;;;;;0.87;;-1.88;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM410886;MM410886;CNCCNC(=NN)NN;ODSYOTNIOYKLSQ-UHFFFAOYSA-N;146.2;-2.51;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_P4";;;;;;;-1.19;;-7.57;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM410887;MM410887;C=C1CC(=NO)CCC1=O;WIHRQEFDNXKIMZ-UHFFFAOYSA-N;139.15;1.13;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC5_SNa";;;;;;;1.64;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM410888;MM410888;CCC12CC(CN)CC1C2;AVPJZDRRVASABP-UHFFFAOYSA-N;139.24;1.77;;;;;DOPC;MDCG;27;1;"MARTINI bead: SC2_SC5";;;;;;;3.6;;0.55;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM410889;MM410889;NCCC1C=C(CN)CN1;OWPMFCQSRKFPBN-UHFFFAOYSA-N;141.22;-0.81;;;;;DOPC;MDCG;27;1;"MARTINI bead: SP1_SP2";;;;;;;-1.06;;-6.79;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM410890;MM410890;C=COC(=C)C(C=C)C=C;IRKXJUPTOXWQSF-UHFFFAOYSA-N;136.19;2.65;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_C2";;;;;;;3.6;;0.34;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM410891;MM410891;Cc1c(CF)c[nH]c1C#N;UDYGSBJQLWJRGN-UHFFFAOYSA-N;138.15;1.66;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNa_SNd";;;;;;;0.87;;-1.88;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM410892;MM410892;C=C1CCC(=NO)CC1=O;PEMHZOUIOJBKKO-UHFFFAOYSA-N;139.15;1.13;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC5_SNa";;;;;;;1.64;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM410893;MM410893;NCCC1C=C(CO)CN1;HHZPYLIWLTWXMP-UHFFFAOYSA-N;142.2;-0.77;;;;;DOPC;MDCG;27;1;"MARTINI bead: SP1_SP2";;;;;;;-1.06;;-6.67;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM410894;MM410894;CNCCNC(=NO)NN;GUWRYXMRTIPRJT-UHFFFAOYSA-N;147.18;-2;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_P4";;;;;;;-1.19;;-6.35;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM410895;MM410895;C=COC(=C)C(C#N)C=C;BYIBYUDCYRKDJX-UHFFFAOYSA-N;135.17;1.99;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_N0";;;;;;;1.94;;0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM410896;MM410896;N=CN(C=O)C=NN;DDLWGELTHZEOKJ-UHFFFAOYSA-N;114.11;-1.05;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_P4";;;;;;;-2.01;;-5.13;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM410897;MM410897;C=CCCCC(C)(O)CC;XHKCKQRCNHCJNV-UHFFFAOYSA-N;142.24;2.5;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda_C1";;;;;;;2.91;;0.57;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM410898;MM410898;O=C1CCC(=NO)CC1=O;LJIFXBOFOWBHDZ-UHFFFAOYSA-N;141.13;0.14;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC5_SNa";;;;;;;1.64;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM410899;MM410899;CCCC1C=C(CF)CN1;VMGQEOKQGJTEGH-UHFFFAOYSA-N;143.21;1.65;;;;;DOPC;MDCG;27;1;"MARTINI bead: SC5_SNa";;;;;;;1.64;;-3.09;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM410900;MM410900;CNCCNC(=NN)NO;GUWRYXMRTIPRJT-UHFFFAOYSA-N;147.18;-2;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_P4";;;;;;;-1.19;;-6.6;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM410901;MM410901;C=CC(C=O)C(=C)OC=O;MFNSMKPEDJMPSE-UHFFFAOYSA-N;140.14;0.67;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_Na";;;;;;;0.87;;-2.22;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM410902;MM410902;CCC12CC(CF)CC1C2;ACKKYRKEQIGUJE-UHFFFAOYSA-N;142.22;2.78;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC2_SC3";;;;;;;4.53;;0.32;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM410903;MM410903;CCc1c[nH]c(C#N)c1N;XMKJBULPDOWJOM-UHFFFAOYSA-N;135.17;1.03;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC5_SNd";;;;;;;1.64;;0.02;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM410904;MM410904;C=C1CNC(=NC)CC1=C;IOLVBBDMBUPMDG-UHFFFAOYSA-N;136.2;1.12;;;;;DOPC;MDCG;27;1;"MARTINI bead: SC5_SN0";;;;;;;1.94;;-2.1;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM410905;MM410905;CCC1=CC(CNC)NC1;XFGZWZDJTMYWAX-UHFFFAOYSA-N;140.23;0.51;;;;;DOPC;MDCG;27;1;"MARTINI bead: SN0_SP1";;;;;;;0.34;;-4.24;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM410906;MM410906;CNCCNC(=NO)NO;CZRYQHNBUNLZSN-UHFFFAOYSA-N;148.17;-1.48;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_P4";;;;;;;-1.19;;-6.34;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM410907;MM410907;C=COC(=O)C(C=C)C=O;SSOBGCSWJZYQIX-UHFFFAOYSA-N;140.14;0.67;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_Na";;;;;;;0.87;;-2.22;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM410908;MM410908;CCC1CC2CC2(CN)C1;YGTVLVGVOAZQLC-UHFFFAOYSA-N;139.24;1.77;;;;;DOPC;MDCG;27;1;"MARTINI bead: SC1_SNd";;;;;;;2.91;;-0.29;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM410909;MM410909;C=Cc1[nH]cc(CN)c1N;CSGHORMEPZJCBQ-UHFFFAOYSA-N;137.19;0.7;;;;;DOPC;MDCG;27;1;"MARTINI bead: SP2_SNd";;;;;;;-0.24;;-4.51;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM410910;MM410910;C=C1CNC(=NN)CC1=C;LEKMKHZLZHPULL-UHFFFAOYSA-N;137.19;0.36;;;;;DOPC;MDCG;27;1;"MARTINI bead: SNd_SN0";;;;;;;1.17;;-2.05;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM410911;MM410911;CCCN1CCC(CC)=N1;HFMWYIRHNYHCEQ-UHFFFAOYSA-N;140.23;1.87;;;;;DOPC;MDCG;27;0;"MARTINI bead: SN0_SP1";;;;;;;0.34;;-1.53;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM410912;MM410912;CNC(=NN)NCCOC;JMEWDVSCLAMXJY-UHFFFAOYSA-N;146.19;-1.33;;;;;DOPC;MDCG;27;1;"MARTINI bead: P2_P1";;;;;;;-1.06;;-7.16;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM410913;MM410913;C=COC(=O)C(C#N)C=C;ACGMMFIGTCFKIA-UHFFFAOYSA-N;137.14;1;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_N0";;;;;;;1.17;;-1.18;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM410914;MM410914;NCC1CC2CC2(CN)C1;UKCNMYJMUJYAFR-UHFFFAOYSA-N;140.23;0.32;;;;;DOPC;MDCG;27;1;"MARTINI bead: SC5_SNd";;;;;;;1.64;;-2.87;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM410915;MM410915;C=C(OC=NN)C1CN1;VHYBFNIOMRPCLG-UHFFFAOYSA-N;127.15;-0.61;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda_SP2";;;;;;;-0.24;;-3.31;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM410916;MM410916;Cc1nnoc(=NN)c1N;QRSLTMZGAFPVRA-UHFFFAOYSA-N;141.13;-1.27;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP1_SP3";;;;;;;-1.93;;-4.72;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM410917;MM410917;C=Cc1[nH]cc(CO)c1N;YTXSIWDZJLNQJJ-UHFFFAOYSA-N;138.17;0.73;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP1_SNd";;;;;;;0.04;;-2.63;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM410918;MM410918;C=CC(C#N)C(=O)ON=C;KPFUSDSHSQIEJL-UHFFFAOYSA-N;138.13;0.47;;;;;DOPC;MDCG;27;0;"MARTINI bead: N0_P1";;;;;;;0.34;;-1.53;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM410919;MM410919;COCCNC(=NN)NN;OOUZHPQYHGTLQM-UHFFFAOYSA-N;147.18;-2.08;;;;;DOPC;MDCG;27;1;"MARTINI bead: Na_P4";;;;;;;-1.19;;-7.27;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM410920;MM410920;NCC12CC(CO)CC1C2;CHEPXWXBVLJRAG-UHFFFAOYSA-N;141.21;0.35;;;;;DOPC;MDCG;27;1;"MARTINI bead: SNd_SC5";;;;;;;1.64;;-2.39;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM410921;MM410921;CCC1=CC(CC=O)CC1;NKTMNMCEOMZJLN-UHFFFAOYSA-N;138.21;2.32;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC2_SNa";;;;;;;2.83;;0.35;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM410922;MM410922;C=C1CC(=NC)NCC1=O;IMTKBNFBBACUGV-UHFFFAOYSA-N;138.17;0.13;;;;;DOPC;MDCG;27;1;"MARTINI bead: SC5_SP2";;;;;;;0.54;;-3.43;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM410923;MM410923;N#Cc1[nH]cc(CO)c1N;JQVVTIFFKZCVFS-UHFFFAOYSA-N;137.14;-0.04;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNda_SNd";;;;;;;0.87;;-1.92;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM410924;MM410924;C=C(CC=O)N(C=N)C=N;AMYMTHQXFQXWQG-UHFFFAOYSA-N;139.16;0.61;;;;;DOPC;MDCG;27;1;"MARTINI bead: Na_P2";;;;;;;-0.24;;-4.67;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM410925;MM410925;NCC12CC(CF)CC1C2;PRZFAIVMTOGSDG-UHFFFAOYSA-N;143.21;1.33;;;;;DOPC;MDCG;27;1;"MARTINI bead: SNd_SC3";;;;;;;2.57;;-1.21;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM410926;MM410926;COCCNC(=NN)NO;WEKRFDHZDDSVGO-UHFFFAOYSA-N;148.17;-1.57;;;;;DOPC;MDCG;27;1;"MARTINI bead: Na_P4";;;;;;;-1.19;;-5.96;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM410927;MM410927;C=CCC1C=C(CN)CC1;QZMNOVPTLYAWBZ-UHFFFAOYSA-N;137.23;1.86;;;;;DOPC;MDCG;27;1;"MARTINI bead: SNd_SC1";;;;;;;2.91;;-0.08;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM410928;MM410928;C=C1COC(=CC)CC1=C;LXKBEYCAKWHDIZ-UHFFFAOYSA-N;136.19;2.42;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC4_SC5";;;;;;;2.97;;0.45;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM410929;MM410929;C#CC(=N)NN=CC(=C)F;LOECZVOLWVKSKM-UHFFFAOYSA-N;139.13;0.66;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_Nd";;;;;;;1.64;;0.02;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM410930;MM410930;C=C(CC=O)N(C=O)C=O;PHNJOVURKRUSHI-UHFFFAOYSA-N;141.13;-0.3;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_P2";;;;;;;-0.24;;-3.24;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM410931;MM410931;C=CCC(C)(C)C(C)O;IITURHFWNQUYEC-UHFFFAOYSA-N;128.22;1.97;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_C1";;;;;;;2.08;;0.48;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM410932;MM410932;CCN(N)C(C)=NC(C)=O;GEYUAPHKVXTTMN-UHFFFAOYSA-N;143.19;0.15;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_P1";;;;;;;0.81;;-0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM410933;MM410933;C=CCC1C=C(CO)CC1;AOOHXKPGEZSEPG-UHFFFAOYSA-N;138.21;1.89;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNda_SC1";;;;;;;2.91;;0.57;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM410934;MM410934;N#Cc1[nH]cc(CF)c1N;BBRYAHIJSNLZAW-UHFFFAOYSA-N;139.13;0.94;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNa_SNd";;;;;;;0.87;;-1.88;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM410935;MM410935;C=C1CC(=CC)OCC1=O;ZSXQETGWUCZWTR-UHFFFAOYSA-N;138.17;1.44;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC4_SNa";;;;;;;2.2;;0.34;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM410936;MM410936;CC=NNC(C)CC#N;VPKBSMTYMZZMFY-UHFFFAOYSA-N;125.18;0.88;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nd_N0";;;;;;;1.17;;-1.04;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM410937;MM410937;CCCCNC(=NC)OC;QFEUGIJCBFZZRP-UHFFFAOYSA-N;144.22;1.01;;;;;DOPC;MDCG;27;1;"MARTINI bead: C1_P1";;;;;;;2.08;;0.26;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM410938;MM410938;C=CN(C=C)C(=N)CC#N;JOQKIPKGNQRVOF-UHFFFAOYSA-N;135.17;1.47;;;;;DOPC;MDCG;27;1;"MARTINI bead: N0_P1";;;;;;;0.34;;-3.2;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM410939;MM410939;C#CC1C=CC(=NN)C1C;FHQKUKBJNIILMR-UHFFFAOYSA-N;134.18;0.76;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC5_SC5";;;;;;;2.41;;0.64;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM410940;MM410940;O=CCC1C=C(CO)CC1;ICPWFHPWFQDAAD-UHFFFAOYSA-N;140.18;0.9;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNda_SNa";;;;;;;0.87;;-1.99;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM410941;MM410941;COC(=NO)NCCCN;WECHSVKKHXYPCI-UHFFFAOYSA-N;147.18;-0.68;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1_P1";;;;;;;-0.79;;-4.99;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM410942;MM410942;NCC1CC2CC2(CF)C1;RSNZVDYXOBRQAH-UHFFFAOYSA-N;143.21;1.33;;;;;DOPC;MDCG;27;1;"MARTINI bead: SC5_SC5";;;;;;;2.41;;-0.5;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM410943;MM410943;C=Cc1[nH]cc(CN)c1O;ZGLXRZJWITWWDV-UHFFFAOYSA-N;138.17;0.82;;;;;DOPC;MDCG;27;1;"MARTINI bead: SP1_SNda";;;;;;;0.04;;-4.61;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM410944;MM410944;C=CN(C=N)C(=N)CC=O;QYOQVBLCZAUYMZ-UHFFFAOYSA-N;139.16;0.61;;;;;DOPC;MDCG;27;1;"MARTINI bead: P2_Na";;;;;;;-0.24;;-4.6;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM410945;MM410945;N#CCC1C=C(CO)CC1;BIUJUCXHDOGZMG-UHFFFAOYSA-N;137.18;1.23;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNda_SC5";;;;;;;1.64;;0.05;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM410946;MM410946;C=C1CCC(=CC)NC1=N;HJUFKDXYKOHWIC-UHFFFAOYSA-N;136.2;1.81;;;;;DOPC;MDCG;27;1;"MARTINI bead: SC5_SNd";;;;;;;1.64;;-4.11;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM410947;MM410947;N=C(C=NN)NOC=O;WROGZUBXJQMAGC-UHFFFAOYSA-N;130.11;-1.41;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_P2";;;;;;;-1.34;;-4.31;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM410948;MM410948;COC(=NO)NCCCO;KCGVNHDCQWLSLD-UHFFFAOYSA-N;148.16;-0.65;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_P1";;;;;;;-0.79;;-3.13;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM410949;MM410949;CC=NNC=C(C=O)CC;XGIQNGOMVPHECL-UHFFFAOYSA-N;140.19;1.07;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_Nd";;;;;;;0.87;;-1.88;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM410950;MM410950;CCc1c[nH]c(C#N)c1F;JIXGBABSVJKZAU-UHFFFAOYSA-N;138.15;1.59;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC5_SNda";;;;;;;1.64;;0.05;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM410951;MM410951;C=CCC1C=C(CF)CC1;TXISSVULGDTVSM-UHFFFAOYSA-N;140.2;2.87;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC5_SC1";;;;;;;3.68;;0.46;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM410952;MM410952;CC=C1CCC(=O)C(=N)N1;AFDCGMSYBJNPGR-UHFFFAOYSA-N;138.17;0.82;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC5_SP1";;;;;;;0.81;;-0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM410953;MM410953;CNC(C=O)C(F)=COC;LXDNRKQSGMQHOD-UHFFFAOYSA-N;147.15;0.23;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_N0";;;;;;;0.06;;-2.21;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM410954;MM410954;FCC1CC2CC2(CF)C1;JVQHBGSHVPPNCL-UHFFFAOYSA-N;146.18;2.34;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC3_SC5";;;;;;;3.34;;0.48;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM410955;MM410955;CNCCNC(=NO)OC;HRCJSVHULNMCOK-UHFFFAOYSA-N;147.18;-0.81;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1_P1";;;;;;;-0.79;;-4.61;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM410956;MM410956;C=Cc1[nH]cc(CN)c1F;WXCBXSXJQWUVCF-UHFFFAOYSA-N;140.16;1.26;;;;;DOPC;MDCG;27;1;"MARTINI bead: SNda_SNd";;;;;;;0.87;;-3.32;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM410957;MM410957;C=C1CCC(=CC)NC1=O;RVWIKMUQKAJJTD-UHFFFAOYSA-N;137.18;1.36;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC5_SNa";;;;;;;1.64;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM410958;MM410958;O=CCC1C=C(CF)CC1;FNYHVKRYCBBIJG-UHFFFAOYSA-N;142.17;1.88;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC5_SNa";;;;;;;1.64;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM410959;MM410959;CCC12CC(NC)CC1C2;OVKIXRVNIJBOPO-UHFFFAOYSA-N;139.24;1.78;;;;;DOPC;MDCG;27;1;"MARTINI bead: SC2_SNd";;;;;;;2.83;;-1.11;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM410960;MM410960;C=CCC(=O)N(C=C)C=C;JDULZRZRDPXMOG-UHFFFAOYSA-N;137.18;1.68;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4_P1";;;;;;;1.37;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM410961;MM410961;CC=NN=CNC=C(C)F;BUOGGXHRXGRSJE-UHFFFAOYSA-N;143.17;1.44;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_Nda";;;;;;;1.64;;0.05;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM410962;MM410962;N#Cc1[nH]cc(CO)c1F;MFZQTORAIJDVSP-UHFFFAOYSA-N;140.12;0.52;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNda_SNda";;;;;;;0.87;;-2.07;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM410963;MM410963;CC=C1CCC(=O)C(=O)N1;ILDDPVNDLLNWCK-UHFFFAOYSA-N;139.15;0.37;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC5_SP2";;;;;;;0.54;;-1.09;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM410964;MM410964;N#CCC1C=C(CF)CC1;FMIMTEXRASFGSK-UHFFFAOYSA-N;139.17;2.21;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC5_SC5";;;;;;;2.41;;0.64;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM410965;MM410965;C=CN(C=C)C(=O)CC#N;WTIHGACZCQDMJZ-UHFFFAOYSA-N;136.15;1.02;;;;;DOPC;MDCG;27;0;"MARTINI bead: N0_P1";;;;;;;0.34;;-1.53;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM410966;MM410966;CNC1CC2CC2(CN)C1;LSVYZKWMEFJXBY-UHFFFAOYSA-N;140.23;0.33;;;;;DOPC;MDCG;27;1;"MARTINI bead: SNd_SNd";;;;;;;0.87;;-5.37;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM410967;MM410967;COCCNC(=NO)OC;LDSGVKUZRVPISI-UHFFFAOYSA-N;148.16;-0.39;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_P2";;;;;;;-0.24;;-3.24;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM410968;MM410968;C=NNC(C)=NC(=C)OC;WPMZIKSBTROUNA-UHFFFAOYSA-N;141.17;0.73;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_Nd";;;;;;;0.87;;-1.88;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM410969;MM410969;C=C1CCC(=NC)NC1=C;NCFDTNUNXZDXGH-UHFFFAOYSA-N;136.2;1.47;;;;;DOPC;MDCG;27;1;"MARTINI bead: SC5_SN0";;;;;;;1.94;;-2.07;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM410970;MM410970;C=CCC1C=C(OC)CC1;NVIDFAIKWDTROJ-UHFFFAOYSA-N;138.21;2.5;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC5_SC1";;;;;;;3.68;;0.46;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM410971;MM410971;CNC1CC2CC2(CF)C1;WBGCTZLLMVQFOJ-UHFFFAOYSA-N;143.21;1.34;;;;;DOPC;MDCG;27;1;"MARTINI bead: SNd_SC5";;;;;;;1.64;;-3.07;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM410972;MM410972;CCCNN=C(CC)NC;BUXMZVJMVFOWJY-UHFFFAOYSA-N;143.23;0.93;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_Nd";;;;;;;0.87;;-4.59;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM410973;MM410973;C=CN(C=N)C(=O)CC#N;GJDZVURRCZHPKJ-UHFFFAOYSA-N;137.14;0.48;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_Na";;;;;;;-0.24;;-3.24;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM410974;MM410974;C=C1NC(=NC)CCC1=O;KTTAWGIXIFMJCC-UHFFFAOYSA-N;138.17;0.48;;;;;DOPC;MDCG;27;1;"MARTINI bead: SC5_SNa";;;;;;;1.64;;-1.16;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM410975;MM410975;C#CCC(F)=CC(C)=NN;NHVVVQZNNZWKNL-UHFFFAOYSA-N;140.16;1.2;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nd_Na";;;;;;;0.87;;-1.88;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM410976;MM410976;COC1=CC(CC=O)CC1;RNGNOSCGCLTHEE-UHFFFAOYSA-N;140.18;1.52;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC5_SNa";;;;;;;1.64;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM410977;MM410977;CCC12CC(OC)CC1C2;TZDIFODFIIGUHS-UHFFFAOYSA-N;140.23;2.21;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC2_SC5";;;;;;;3.6;;0.34;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM410978;MM410978;C=CCC(O)CC=CC=O;CXDQUEQVBVQMAH-UHFFFAOYSA-N;140.18;1.07;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda_Na";;;;;;;0.87;;-1.99;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM410979;MM410979;N=CN(C=N)C(=O)CC=O;XEHWQPWOLRMNML-UHFFFAOYSA-N;141.13;-0.38;;;;;DOPC;MDCG;27;0;"MARTINI bead: P4_Na";;;;;;;-1.19;;-4.76;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM410980;MM410980;C=C1CCC(=NC)NC1=N;BTMCGRNFZCAVBW-UHFFFAOYSA-N;137.19;0.93;;;;;DOPC;MDCG;27;1;"MARTINI bead: SC5_SNd";;;;;;;1.64;;-2.1;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM410981;MM410981;C=NN=CNC(=C)CC#N;KHOKBHGYWHHVTE-UHFFFAOYSA-N;136.16;0.65;;;;;DOPC;MDCG;27;0;"MARTINI bead: N0_Nd";;;;;;;1.17;;-1.04;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM410982;MM410982;COC1=CC(CC#N)CC1;ZXZMFFPNNLHKBH-UHFFFAOYSA-N;137.18;1.84;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC5_SC5";;;;;;;2.41;;0.64;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM410983;MM410983;CCC1CC2CC2(NC)C1;HYUIGVGOCWMJSK-UHFFFAOYSA-N;139.24;1.78;;;;;DOPC;MDCG;27;1;"MARTINI bead: SC1_SNd";;;;;;;2.91;;-0.66;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM410984;MM410984;CN=C(CN)NNCCO;NJLFRCFNFAXAHT-UHFFFAOYSA-N;146.19;-1.94;;;;;DOPC;MDCG;27;1;"MARTINI bead: P2_P3";;;;;;;-2.2;;-6.84;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM410985;MM410985;C=CC(C=O)=C(C)NN=C;NMXGYJRSUBIQCI-UHFFFAOYSA-N;138.17;0.85;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_C5";;;;;;;0.81;;-0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM410986;MM410986;C=C1CCC(=NN)NC1=N;GHEHBKJAKDICJP-UHFFFAOYSA-N;138.17;0.18;;;;;DOPC;MDCG;27;1;"MARTINI bead: SNd_SNd";;;;;;;0.87;;-3.7;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM410987;MM410987;C=Cc1[nH]cc(NC)c1O;RKTNJBNHWYRDNE-UHFFFAOYSA-N;138.17;1.41;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNda_SNd";;;;;;;0.87;;-1.92;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM410988;MM410988;N=CNC1C=C(CN)CC1;XVEIIJNWLITANH-UHFFFAOYSA-N;139.2;0.23;;;;;DOPC;MDCG;27;1;"MARTINI bead: SNd_SNd";;;;;;;0.87;;-5.89;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM410989;MM410989;CNC12CC(CO)CC1C2;OKIJUUDNLKDMAN-UHFFFAOYSA-N;141.21;0.37;;;;;DOPC;MDCG;27;1;"MARTINI bead: SNd_SC5";;;;;;;1.64;;-2.51;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM410990;MM410990;NCCNN=C(CN)NO;QRZYOTRVSZVJCS-UHFFFAOYSA-N;147.18;-2.21;;;;;DOPC;MDCG;27;1;"MARTINI bead: P4_P2";;;;;;;-2.29;;-7.27;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM410991;MM410991;CC=NN=CNC=CC=O;IOXBYJSGJWPFOD-UHFFFAOYSA-N;139.16;0.32;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_P2";;;;;;;0.54;;-1.09;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM410992;MM410992;C=Cc1[nH]cc(NC)c1F;FZHSVNROSXKPPT-UHFFFAOYSA-N;140.16;1.84;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNd_SNda";;;;;;;0.87;;-1.92;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM410993;MM410993;CC1=NNC(=CC=O)CC1;NQBOTPNTLDAQQN-UHFFFAOYSA-N;138.17;0.83;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP1_SNda";;;;;;;0.04;;-2.73;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM410994;MM410994;N=CNC1C=C(CO)CC1;AILGGCNRXDWEEF-UHFFFAOYSA-N;140.19;0.26;;;;;DOPC;MDCG;27;1;"MARTINI bead: SNda_SNd";;;;;;;0.87;;-5.67;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM410995;MM410995;CNC12CC(CF)CC1C2;OTWHJMVANFALHJ-UHFFFAOYSA-N;143.21;1.34;;;;;DOPC;MDCG;27;1;"MARTINI bead: SNd_SC3";;;;;;;2.57;;-1.62;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM410996;MM410996;CCCNN=C(CO)NC;GHXKAFONKTZFDY-UHFFFAOYSA-N;145.21;-0.49;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_P2";;;;;;;-0.24;;-4.25;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM410997;MM410997;CNc1c[nH]c(C#N)c1F;OFJGPTVENOGIMB-UHFFFAOYSA-N;139.13;1.07;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNd_SNda";;;;;;;0.87;;-1.92;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM410998;MM410998;C#CC(=O)CC1CN1N=C;AAWPJWQYDWDJOJ-UHFFFAOYSA-N;136.15;-0.12;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP2_Na";;;;;;;-0.24;;-3.24;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM410999;MM410999;C=C1CCC(=NN)NC1=O;SFHOPKVIPJZPEP-UHFFFAOYSA-N;139.16;-0.28;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNd_SNda";;;;;;;0.87;;-1.92;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM411000;MM411000;CNC1CC2CC2(NC)C1;OMMDEVHZUBDCDB-UHFFFAOYSA-N;140.23;0.35;;;;;DOPC;MDCG;27;1;"MARTINI bead: SNd_SNd";;;;;;;0.87;;-5.11;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM411001;MM411001;C=NNC1C=C(CN)CC1;WRTNJRLDTKUTLC-UHFFFAOYSA-N;139.2;0.24;;;;;DOPC;MDCG;27;1;"MARTINI bead: SNd_SNd";;;;;;;0.87;;-4.36;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM411002;MM411002;C=Cc1[nH]cc(OC)c1C;NHONHRLLUYRYET-UHFFFAOYSA-N;137.18;1.97;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNa_SC5";;;;;;;1.64;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM411003;MM411003;C=NOC(C)CC#CC=O;DXGQFSZITKBMLX-UHFFFAOYSA-N;139.15;0.6;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_P1";;;;;;;0.81;;-0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM411004;MM411004;C=C(NC=O)N(C=N)C=N;QLRSDWAJXUHIFK-UHFFFAOYSA-N;140.15;-0.28;;;;;DOPC;MDCG;27;1;"MARTINI bead: P2_P2";;;;;;;-1.34;;-5.92;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM411005;MM411005;C=C1CNC(=NC)NC1=C;OABGMRZSUJOLOS-UHFFFAOYSA-N;137.19;0.23;;;;;DOPC;MDCG;27;1;"MARTINI bead: SNd_SP1";;;;;;;0.04;;-6.58;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM411006;MM411006;NCCNN=C(CO)NO;WRZUWYZAGLBWEU-UHFFFAOYSA-N;148.17;-2.18;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1_P5";;;;;;;-1.94;;-7.21;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM411007;MM411007;CNC12CC(OC)CC1C2;AYHUZGGZGIYCGG-UHFFFAOYSA-N;141.21;0.77;;;;;DOPC;MDCG;27;1;"MARTINI bead: SNd_SC5";;;;;;;1.64;;-2.58;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM411008;MM411008;COc1c[nH]c(C#N)c1C;AGDBMAGZHCGAJB-UHFFFAOYSA-N;136.15;1.2;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNa_SNd";;;;;;;0.87;;-1.88;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM411009;MM411009;C=NNC1C=C(CF)CC1;RSVGCJOTMAMMRK-UHFFFAOYSA-N;142.18;1.25;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC5_SNd";;;;;;;1.64;;0.02;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM411010;MM411010;COC1=CC(=NN)CC1C;WDBKJDDPSQIGOL-UHFFFAOYSA-N;140.19;0.87;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC4_SNd";;;;;;;2.2;;0.32;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM411011;MM411011;C=C1CNC(=NN)NC1=C;CUEZFCUYISRBOO-UHFFFAOYSA-N;138.17;-0.52;;;;;DOPC;MDCG;27;1;"MARTINI bead: SP2_SP1";;;;;;;-1.06;;-6.29;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM411012;MM411012;CNN=C(C)C(=O)C=CN;AHDFOKJVGFPBDV-UHFFFAOYSA-N;141.17;-0.38;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nd_P2";;;;;;;-0.24;;-3.16;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM411013;MM411013;CCC1CC2CC2(OC)C1;QANQHBDKDSTJHI-UHFFFAOYSA-N;140.23;2.21;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC1_SC5";;;;;;;3.68;;0.46;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM411014;MM411014;C=COC1C=C(CC)CC1;ZGDKNEKPDDVHTF-UHFFFAOYSA-N;138.21;2.65;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC2_SC4";;;;;;;4.16;;0.44;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM411015;MM411015;C=C(NC=N)N(C=O)C=O;RWRDVAWQWIJTCK-UHFFFAOYSA-N;141.13;-0.73;;;;;DOPC;MDCG;27;1;"MARTINI bead: P2_P2";;;;;;;-1.34;;-7.13;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM411016;MM411016;C=Cc1[nH]cc(OC)c1N;MJMJXXKQZRMZPA-UHFFFAOYSA-N;138.17;1.25;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNa_SNd";;;;;;;0.87;;-1.88;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM411017;MM411017;C#CC=C1CC(C)C(O)C1;JTHHWHNYGYKEIS-UHFFFAOYSA-N;136.19;1.34;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC4_SNda";;;;;;;2.2;;0.49;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM411018;MM411018;C=C1NC(=NC)NCC1=O;CMGISRWBGAOIOB-UHFFFAOYSA-N;139.16;-0.75;;;;;DOPC;MDCG;27;1;"MARTINI bead: SNd_SP2";;;;;;;-0.24;;-4.32;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM411019;MM411019;C=COC1C=C(CN)CC1;WLVNLKIXIIXXON-UHFFFAOYSA-N;139.2;1.19;;;;;DOPC;MDCG;27;1;"MARTINI bead: SNd_SC4";;;;;;;2.2;;-1.67;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM411020;MM411020;COC12CC(CN)CC1C2;PWMIMTSUVXXPGC-UHFFFAOYSA-N;141.21;0.76;;;;;DOPC;MDCG;27;1;"MARTINI bead: SC5_SC5";;;;;;;2.41;;-0.5;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM411021;MM411021;C=CN(C=C)C(=N)NC=N;YZRHGLDTFRJOOB-UHFFFAOYSA-N;138.17;0.71;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_P4";;;;;;;-1.19;;-8.13;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM411022;MM411022;COc1c[nH]c(C#N)c1N;ZQIVJVFBUWYTTF-UHFFFAOYSA-N;137.14;0.48;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNda_SNd";;;;;;;0.87;;-1.92;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM411023;MM411023;CNN=c1nc(C)n(N)o1;NLXWAOBASAUUGB-UHFFFAOYSA-N;143.15;-1.47;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNa_SP2";;;;;;;-0.24;;-3.24;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM411024;MM411024;C=C1CNC(=NC)NC1=N;XOPBPCHJJQUCCQ-UHFFFAOYSA-N;138.17;-0.3;;;;;DOPC;MDCG;27;1;"MARTINI bead: SNd_SP2";;;;;;;-0.24;;-6.39;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM411025;MM411025;CNC1CC2CC2(OC)C1;CRICBESHNWXYOE-UHFFFAOYSA-N;141.21;0.77;;;;;DOPC;MDCG;27;1;"MARTINI bead: SNd_SC5";;;;;;;1.64;;-2.85;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM411026;MM411026;CCc1coc(C=O)c1C;AXKKFSBPHIIGMI-UHFFFAOYSA-N;138.17;1.96;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC4_SNa";;;;;;;2.2;;0.34;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM411027;MM411027;C=CCC1C=C(CC)OC1;GMAZWKONUWLBQV-UHFFFAOYSA-N;138.21;2.5;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC5_SC4";;;;;;;2.97;;0.45;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM411028;MM411028;C=CNC(=N)N(C=C)C=N;ZDMNAPXWGNICFG-UHFFFAOYSA-N;138.17;0.71;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1_P2";;;;;;;-1.06;;-7.58;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM411029;MM411029;NCCNN=C(CF)NO;WOGNVZYGZKBFQS-UHFFFAOYSA-N;150.16;-1.2;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1_P2";;;;;;;-1.06;;-5.14;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM411030;MM411030;C=C1CNC(=NN)NC1=N;LYOKJYNDCLCGHO-UHFFFAOYSA-N;139.16;-1.06;;;;;DOPC;MDCG;27;1;"MARTINI bead: SP2_SP2";;;;;;;-1.34;;-6.94;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM411031;MM411031;COC1CC2CC2(OC)C1;AXAZUPZINPBFFJ-UHFFFAOYSA-N;142.2;1.2;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC5_SC5";;;;;;;2.41;;0.64;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM411032;MM411032;C=CN(C=N)C(=N)NC=N;LRVWFHOQEZWNDD-UHFFFAOYSA-N;139.16;0.17;;;;;DOPC;MDCG;27;1;"MARTINI bead: N0_P3";;;;;;;-0.8;;-5.67;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM411033;MM411033;CCc1coc(C#N)c1C;ZOJWRDSVEOQAHM-UHFFFAOYSA-N;135.17;2.02;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC4_SN0";;;;;;;2.5;;0.44;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM411034;MM411034;C=CCC1C=C(CN)OC1;UXXMUEYDIFTVAN-UHFFFAOYSA-N;139.2;1.05;;;;;DOPC;MDCG;27;1;"MARTINI bead: SP2_SC4";;;;;;;1.09;;-1.79;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM411035;MM411035;COC(C#CC1CN1)=NN;HGRFMGDSXMPLJU-UHFFFAOYSA-N;139.16;-1.12;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda_SP1";;;;;;;0.04;;-2.73;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM411036;MM411036;CCCNNC(=NN)NN;MJOBXWSSCKZYCU-UHFFFAOYSA-N;146.2;-1.82;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_P4";;;;;;;-1.19;;-7.22;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM411037;MM411037;CCC1CC2(CC)CC2N1;PJPQUISKYPTUIR-UHFFFAOYSA-N;139.24;1.93;;;;;DOPC;MDCG;27;1;"MARTINI bead: SNd_SN0";;;;;;;1.17;;-4.65;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM411038;MM411038;C=Cc1occ(CN)c1C;IWDHAJZEDDAJER-UHFFFAOYSA-N;137.18;1.69;;;;;DOPC;MDCG;27;1;"MARTINI bead: SNd_SC4";;;;;;;2.2;;-0.72;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM411039;MM411039;N=CNC(=N)N(C=N)C=O;MBYUHGISSKUAHF-UHFFFAOYSA-N;141.13;-0.82;;;;;DOPC;MDCG;27;1;"MARTINI bead: P3_P2";;;;;;;-2.2;;-6.43;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM411040;MM411040;C=CCC1C=C(CF)OC1;QAUUFDZLTCDDDT-UHFFFAOYSA-N;142.17;2.06;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNa_SC4";;;;;;;2.2;;0.34;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM411041;MM411041;Nc1noc(=NO)nc1N;GOCHMGLRVPWXLF-UHFFFAOYSA-N;143.11;-1.48;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP3_SP3";;;;;;;-3.07;;-6.15;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM411042;MM411042;NN=C(NN)NNCCO;DRAWPQADELSNBB-UHFFFAOYSA-N;148.17;-3.23;;;;;DOPC;MDCG;27;1;"MARTINI bead: P4_P3";;;;;;;-3.15;;-9.13;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM411043;MM411043;CCC1CC2(CN)CC2N1;YIQGNYKXFLENGK-UHFFFAOYSA-N;140.23;0.48;;;;;DOPC;MDCG;27;1;"MARTINI bead: SNd_SP2";;;;;;;-0.24;;-6.41;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM411044;MM411044;C#CC1=CC(=NN)CC1C;GZHUIHMMYYIREV-UHFFFAOYSA-N;134.18;0.9;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNd_SC4";;;;;;;2.2;;0.32;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM411045;MM411045;N=CNC1C=C(CO)OC1;NCIJRXKDOSVVGQ-UHFFFAOYSA-N;142.16;-0.54;;;;;DOPC;MDCG;27;1;"MARTINI bead: SP1_SP1";;;;;;;-0.79;;-6.28;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM411046;MM411046;C=Cc1occ(CO)c1C;VYTZFGOJVMWIFD-UHFFFAOYSA-N;138.17;1.72;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNda_SC5";;;;;;;1.64;;0.05;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM411047;MM411047;N#CC=CCOCC(=O)O;DMWSWUCKBPAEPM-UHFFFAOYSA-N;141.13;0.17;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_Na";;;;;;;0.04;;-7.44;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM411048;MM411048;CCCNNC(=NC)NO;KYEIAVJBLMTQKM-UHFFFAOYSA-N;146.19;-0.54;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_P2";;;;;;;-0.24;;-5.62;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM411049;MM411049;NCC12CC(CO)NC1C2;VMBPVLCHFHCQAE-UHFFFAOYSA-N;142.2;-0.94;;;;;DOPC;MDCG;27;1;"MARTINI bead: SP2_SP1";;;;;;;-1.06;;-6.48;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM411050;MM411050;Cc1c(CO)coc1C#N;MZPWUGDMDMYJRI-UHFFFAOYSA-N;137.14;0.95;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNda_SN0";;;;;;;1.17;;-1.13;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM411051;MM411051;C=CC12CC(C)C(=O)C1N2;UZOWGKOVZBUESA-UHFFFAOYSA-N;137.18;0.49;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNd_SNa";;;;;;;0.87;;-1.88;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM411052;MM411052;C=C(OC=NN)C1CO1;TUDVKVUZAUYMEG-UHFFFAOYSA-N;128.13;-0.18;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda_SP1";;;;;;;0.04;;-2.73;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM411053;MM411053;CC(=N)N(O)C(=O)C(=O)O;CPDOJZZYDQPADP-UHFFFAOYSA-N;146.1;-0.71;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_P1";;;;;;;-1.06;;-8.56;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM411054;MM411054;CCCNNC(=NN)NO;PFMTYTBMGYWILA-UHFFFAOYSA-N;147.18;-1.3;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_P4";;;;;;;-1.19;;-5.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM411055;MM411055;C=Cc1occ(CF)c1C;SAJGRLQPRPSTBF-UHFFFAOYSA-N;140.16;2.7;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC5_SC5";;;;;;;2.41;;0.64;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM411056;MM411056;OCC1CC2(CO)CC2N1;YRDHEOLHLZRVAS-UHFFFAOYSA-N;143.19;-0.91;;;;;DOPC;MDCG;27;1;"MARTINI bead: SP1_SP2";;;;;;;-1.06;;-6.19;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM411057;MM411057;C=CCC1C=C(CC)CN1;RLZVEVQSWLEUOP-UHFFFAOYSA-N;137.23;1.87;;;;;DOPC;MDCG;27;1;"MARTINI bead: SN0_SNd";;;;;;;1.17;;-4.49;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM411058;MM411058;C=CN(C=C)C(=O)NC=O;SLNNFEFMLXGRRF-UHFFFAOYSA-N;140.14;0.44;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda_P2";;;;;;;-0.24;;-3.31;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM411059;MM411059;N=c1nn[nH]cc(O)c1=N;MXBFLFFSHUHKAX-UHFFFAOYSA-N;139.12;-1.53;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP3_SP2";;;;;;;-2.2;;-9.5;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM411060;MM411060;CNN=c1oc(C)c(N)o1;JLQSTTRRCXWPEY-UHFFFAOYSA-N;143.15;-0.2;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_SP2";;;;;;;-1.34;;-4.31;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM411061;MM411061;Cc1c(CF)coc1C#N;PLTYKKFAHWQVBM-UHFFFAOYSA-N;139.13;1.93;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC5_SN0";;;;;;;1.94;;0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM411062;MM411062;NCC1CC2(CF)CC2N1;YYCCKJUWTVLGLT-UHFFFAOYSA-N;144.19;0.04;;;;;DOPC;MDCG;27;1;"MARTINI bead: SP1_SNa";;;;;;;0.04;;-5.26;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM411063;MM411063;C=CCC1C=C(CO)CN1;CCBLUYADLZACMV-UHFFFAOYSA-N;139.2;0.45;;;;;DOPC;MDCG;27;1;"MARTINI bead: SP2_SNd";;;;;;;-0.24;;-6.08;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM411064;MM411064;NN=c1onnc(F)c1N;UGIQUBYXSUGYCD-UHFFFAOYSA-N;145.1;-1.43;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP2_SP2";;;;;;;-1.34;;-4.31;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM411065;MM411065;N#CC=NOCCC(=O)O;DJOUAAKTSSHMEE-UHFFFAOYSA-N;142.11;-0.01;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda_P2";;;;;;;-0.24;;-8.03;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM411066;MM411066;NCCNNC(=NO)NO;XZZNNNUFDGXKTO-UHFFFAOYSA-N;149.15;-2.24;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1_P4";;;;;;;-2.01;;-6.16;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM411067;MM411067;CNC12CC(CN)NC1C2;LFQCVSAAGKIQCF-UHFFFAOYSA-N;141.22;-0.96;;;;;DOPC;MDCG;27;1;"MARTINI bead: SP2_SP1";;;;;;;-1.06;;-6.17;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM411068;MM411068;C=Cc1occ(CC)c1N;IBSGCHYUZHPEOV-UHFFFAOYSA-N;137.18;2.07;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC5_SC5";;;;;;;2.41;;0.64;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM411069;MM411069;C=CCC1C=C(CC)CO1;RWLQJWPRHIEPFN-UHFFFAOYSA-N;138.21;2.3;;;;;DOPC;MDCG;27;0;"MARTINI bead: SN0_SC5";;;;;;;1.94;;0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM411070;MM411070;NN=c1nnoc(N)c1F;UETNZZNWBQAUEX-UHFFFAOYSA-N;145.1;-1.43;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP2_SP2";;;;;;;-1.34;;-4.31;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM411071;MM411071;C=C1CCC(=CC)OC1=C;BDLUFWMKQSYYAP-UHFFFAOYSA-N;136.19;2.77;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC4_SC4";;;;;;;3.53;;0.53;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM411072;MM411072;CNN=c1oc(N)c(F)o1;KBFVSMIJUNXPOV-UHFFFAOYSA-N;147.11;-0.37;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_SP1";;;;;;;-1.06;;-3.82;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM411073;MM411073;CCc1coc(C=O)c1N;GIGBYVLNUJYZEZ-UHFFFAOYSA-N;139.15;1.24;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC5_SNa";;;;;;;1.64;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM411074;MM411074;CCC1=CC(CC#N)OC1;OCLHYGVHDJHPDO-UHFFFAOYSA-N;137.18;1.64;;;;;DOPC;MDCG;27;0;"MARTINI bead: SN0_SNa";;;;;;;1.17;;-1.18;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM411075;MM411075;C=C1OC(=CC)CCC1=O;BQBAZALDANJXCH-UHFFFAOYSA-N;138.17;1.78;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC4_SNa";;;;;;;2.2;;0.34;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM411076;MM411076;N=CN(C=N)C(=O)NC=O;DQIAORAIHDKMSG-UHFFFAOYSA-N;142.12;-0.63;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_P4";;;;;;;-2.29;;-5.95;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM411077;MM411077;CCC1CC2(OC)CC2N1;GYFAZWXOEKYOJZ-UHFFFAOYSA-N;141.21;0.92;;;;;DOPC;MDCG;27;1;"MARTINI bead: SNd_SP1";;;;;;;0.04;;-5.48;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM411078;MM411078;C#CC(=C)C(C)C1(O)CC1;NTZZJRHVRFDEIW-UHFFFAOYSA-N;136.19;1.34;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4_SP1";;;;;;;1.37;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM411079;MM411079;CCc1coc(C#N)c1N;NVJIUSZYBKJFFH-UHFFFAOYSA-N;136.15;1.3;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC4_SNd";;;;;;;2.2;;0.32;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM411081;MM411081;CCC1CC2(NC)CC2O1;UMMRMDVWQTTYGD-UHFFFAOYSA-N;141.21;0.92;;;;;DOPC;MDCG;27;1;"MARTINI bead: SC5_SP1";;;;;;;0.81;;-2.37;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM411080;MM411080;C=CCC1C=C(CN)CO1;PZHYLEBRQNFHFH-UHFFFAOYSA-N;139.2;0.85;;;;;DOPC;MDCG;27;1;"MARTINI bead: SP1_SC5";;;;;;;0.81;;-2.66;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM411082;MM411082;C=C1CCC(=CC)OC1=O;BDXNMPWLSUQZNC-UHFFFAOYSA-N;138.17;1.78;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC4_SNa";;;;;;;2.2;;0.34;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM411083;MM411083;C=CNC(=O)N(C=N)C=O;ZRBZSYBWLLNLOP-UHFFFAOYSA-N;141.13;-0.1;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_P2";;;;;;;-1.34;;-4.31;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM411084;MM411084;N#CCC1C=C(CO)CO1;SCMZSJDYFJJBLU-UHFFFAOYSA-N;139.15;0.22;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP1_SNa";;;;;;;0.04;;-2.54;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM411085;MM411085;CCC(=NOCCN)NC;IYRCGQBJGZETAJ-UHFFFAOYSA-N;145.21;-0.1;;;;;DOPC;MDCG;27;1;"MARTINI bead: C5_P3";;;;;;;-0.33;;-3.4;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM411086;MM411086;CC(=NN)ON=CC(=O)O;YJLAUKODDDLQDY-UHFFFAOYSA-N;145.12;-0.63;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nd_P2";;;;;;;-0.24;;-7.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM411087;MM411087;C#Cc1noc(CC)c1N;UIQMBZSPDARTQS-UHFFFAOYSA-N;136.15;0.8;;;;;DOPC;MDCG;27;0;"MARTINI bead: SN0_SNda";;;;;;;1.17;;-1.13;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM411088;MM411088;C=Cc1occ(CO)c1N;ZEAQEKGGXBOQMY-UHFFFAOYSA-N;139.15;1;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP1_SC5";;;;;;;0.81;;-0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM411089;MM411089;CCC1CC2CC2(CC)N1;FQEARROVBJPKPN-UHFFFAOYSA-N;139.24;1.93;;;;;DOPC;MDCG;27;1;"MARTINI bead: SN0_SNd";;;;;;;1.17;;-5;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM411090;MM411090;N#CCC1C=C(CF)CO1;ZNXKBAUBDVULAL-UHFFFAOYSA-N;141.15;1.19;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNa_SNa";;;;;;;0.87;;-2.22;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM411091;MM411091;N=CNC(=O)N(C=O)C=O;GLHCOLZUPHKSOI-UHFFFAOYSA-N;143.1;-1.08;;;;;DOPC;MDCG;27;0;"MARTINI bead: P3_P2";;;;;;;-2.2;;-5.19;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM411092;MM411092;CC(C=O)ON(C=N)C=O;JUAPFVISKLOXLK-UHFFFAOYSA-N;144.13;-0.43;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_P3";;;;;;;-1.1;;-4.2;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM411093;MM411093;CCC12CC1CC(CN)N2;PUPTWMOUZGPKQS-UHFFFAOYSA-N;140.23;0.48;;;;;DOPC;MDCG;27;1;"MARTINI bead: SNd_SP1";;;;;;;0.04;;-6.03;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM411094;MM411094;C#CC(=CNC=O)C(=O)O;QGJXGPLARQZHBW-UHFFFAOYSA-N;139.11;-0.67;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_P1";;;;;;;-0.79;;-8.05;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM411095;MM411095;N#Cc1occ(CO)c1N;WPDZZBYKVPOYDT-UHFFFAOYSA-N;138.13;0.23;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNda_SNd";;;;;;;0.87;;-1.92;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM411096;MM411096;COC1=CC(CC#N)OC1;KFGAUDMRIFVVLO-UHFFFAOYSA-N;139.15;0.83;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNa_SNa";;;;;;;0.87;;-2.22;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM411097;MM411097;C=NN(C=N)C(=C)NC=N;NHZLDDJPFOFQON-UHFFFAOYSA-N;139.16;0.18;;;;;DOPC;MDCG;27;1;"MARTINI bead: P2_P1";;;;;;;-1.06;;-6.67;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM411098;MM411098;C=NN=CNNC(=N)C=O;FZVADDUBDJUHNR-UHFFFAOYSA-N;141.13;-1.1;;;;;DOPC;MDCG;27;0;"MARTINI bead: N0_P3";;;;;;;-0.8;;-2.99;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM411099;MM411099;O=CNOCC#CC(=O)O;FWRQBORJHSGLSC-UHFFFAOYSA-N;143.1;-1.25;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_P2";;;;;;;-1.06;;-8.57;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM411100;MM411100;C=Cc1occ(CF)c1N;XBFFOURQGKPIAM-UHFFFAOYSA-N;141.15;1.97;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNda_SC5";;;;;;;1.64;;0.05;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM411101;MM411101;CCC12CC1CC(CO)N2;HZRPRTURSHYNLH-UHFFFAOYSA-N;141.21;0.51;;;;;DOPC;MDCG;27;1;"MARTINI bead: SNd_SP1";;;;;;;0.04;;-5.87;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM411102;MM411102;C=CCC1CNC(CO)=N1;HCJOBGJTLYDWMO-UHFFFAOYSA-N;140.19;-0.07;;;;;DOPC;MDCG;27;1;"MARTINI bead: SP1_SN0";;;;;;;0.34;;-3.15;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM411103;MM411103;C#CCC1CC1C(O)CC;MJMKIYLDCXLURK-UHFFFAOYSA-N;138.21;1.42;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda_SC4";;;;;;;2.2;;0.49;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM411104;MM411104;CCCC=NN=C(N)C=O;BMHPTUDSHLHSAN-UHFFFAOYSA-N;141.17;0.33;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1_P3";;;;;;;0.94;;0.03;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM411105;MM411105;CONC(=O)C(=O)C(C)=O;BWVNMNNTTLTESR-UHFFFAOYSA-N;145.11;-1.18;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_Na";;;;;;;-0.24;;-8.03;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM411106;MM411106;CCC12CC1CC(CF)N2;QLUHJKCJIGIMOE-UHFFFAOYSA-N;143.21;1.49;;;;;DOPC;MDCG;27;1;"MARTINI bead: SNd_SNa";;;;;;;0.87;;-4.19;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM411107;MM411107;N#Cc1occ(CF)c1N;YJROOKZLGRBVLL-UHFFFAOYSA-N;140.12;1.2;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC5_SNd";;;;;;;1.64;;0.02;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM411108;MM411108;C=CCC1CNC(NC)=N1;HPDMJZKRAOZAEG-UHFFFAOYSA-N;139.2;0.11;;;;;DOPC;MDCG;27;1;"MARTINI bead: SP1_SN0";;;;;;;0.34;;-5.88;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM411109;MM411109;C=NN(C=O)C(=C)NC=N;MNZHEGBZLIRFJZ-UHFFFAOYSA-N;140.15;-0.27;;;;;DOPC;MDCG;27;1;"MARTINI bead: P2_P1";;;;;;;-1.06;;-6.38;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM411110;MM411110;NCCON=C(CO)NO;OMAOHMDSAASGAW-UHFFFAOYSA-N;149.15;-1.75;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1_P3";;;;;;;-1.93;;-6.07;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM411111;MM411111;C=NN=C(OC=O)C(=O)O;QVWCZAZVERFFOT-UHFFFAOYSA-N;144.09;-0.74;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_P1";;;;;;;-1.06;;-8.57;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM411112;MM411112;CCC1CC2CC2(CN)N1;GQNYBXPCEYHRFU-UHFFFAOYSA-N;140.23;0.48;;;;;DOPC;MDCG;27;1;"MARTINI bead: SN0_SP2";;;;;;;0.06;;-5.58;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM411113;MM411113;C=Cc1occ(CC)c1F;CSNMKYZTXHOYLT-UHFFFAOYSA-N;140.16;2.62;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC4_SC5";;;;;;;2.97;;0.45;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM411114;MM411114;C=NN(C=N)C(=N)NC=N;VSMMPIQYCKWCHQ-UHFFFAOYSA-N;140.15;-0.36;;;;;DOPC;MDCG;27;1;"MARTINI bead: P2_P2";;;;;;;-1.34;;-5.39;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM411115;MM411115;C=CCC1CNC(NN)=N1;WPNXCXJBSJIECQ-UHFFFAOYSA-N;140.19;-0.65;;;;;DOPC;MDCG;27;1;"MARTINI bead: SP2_SN0";;;;;;;0.06;;-5.82;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM411116;MM411116;NCC1CC2CC2(CN)N1;AVOYLQWHPPLBLK-UHFFFAOYSA-N;141.22;-0.98;;;;;DOPC;MDCG;27;1;"MARTINI bead: SP1_SP2";;;;;;;-1.06;;-6.73;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM411117;MM411117;C=CC(=O)C=NNCCC;IINYCTFZLFLVRB-UHFFFAOYSA-N;140.19;0.73;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nd_Na";;;;;;;0.87;;-1.88;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM411118;MM411118;N#CC(CO)CC(=O)O;FGWGPHMAARHXDV-UHFFFAOYSA-N;129.12;-0.41;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_P1";;;;;;;-1.06;;-8.57;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM411119;MM411119;CCc1coc(C#N)c1F;VCFZTBUTOTWIAF-UHFFFAOYSA-N;139.13;1.85;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC4_SNa";;;;;;;2.2;;0.34;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM411120;MM411120;CC=CC1NC1C(=O)CC;YWYXPRZPVBHRSH-UHFFFAOYSA-N;139.2;0.88;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_SNd";;;;;;;0.87;;-1.88;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM411121;MM411121;NCC12CC1CC(CO)N2;SKNASHHLKPBFDT-UHFFFAOYSA-N;142.2;-0.94;;;;;DOPC;MDCG;27;1;"MARTINI bead: SP2_SP1";;;;;;;-1.06;;-6.55;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM411122;MM411122;NCCON=C(CF)NO;XYFWTEZRTSTQAM-UHFFFAOYSA-N;151.14;-0.78;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1_P2";;;;;;;-1.06;;-5.18;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM411123;MM411123;C=CCC1CNC(NO)=N1;RWZVTQWRUWSPNW-UHFFFAOYSA-N;141.17;-0.13;;;;;DOPC;MDCG;27;1;"MARTINI bead: SP2_SN0";;;;;;;0.06;;-4.43;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM411124;MM411124;O=C(O)C(C#CCO)=NO;VVDZSUWGUACTPR-UHFFFAOYSA-N;143.1;-1.1;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_P1";;;;;;;-0.79;;-8.05;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM411125;MM411125;C=Cc1occ(NC)c1C;CGZNSFPOGOBZGA-UHFFFAOYSA-N;137.18;2.27;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC5_SC5";;;;;;;2.41;;0.64;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM411126;MM411126;C=NN(C=N)C(=O)NC=N;FQBFXKCEEKFYTC-UHFFFAOYSA-N;141.13;-0.17;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_P2";;;;;;;-1.34;;-4.31;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM411127;MM411127;CCC#CC(C#N)=NNC;DFARLVJTPZHVFY-UHFFFAOYSA-N;135.17;0.5;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_Nd";;;;;;;1.64;;0.02;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM411128;MM411128;NCC12CC1CC(CF)N2;GPBBDGIXGWLPPE-UHFFFAOYSA-N;144.19;0.04;;;;;DOPC;MDCG;27;1;"MARTINI bead: SP2_SNa";;;;;;;-0.24;;-5.43;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM411129;MM411129;Oc1o[nH]c2nnnc1-2;WDXYPUILBUSWKI-UHFFFAOYSA-N;126.08;-0.4;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNda_SNda";;;;;;;0.87;;-7.02;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM411130;MM411130;NN=COCOC1CC1;HLVFSFGJGRJCQG-UHFFFAOYSA-N;130.15;0.04;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_SP1";;;;;;;-0.79;;-3.13;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM411131;MM411131;CNc1coc(C=O)c1C;XEVVDEFZXUSFTL-UHFFFAOYSA-N;139.15;1.44;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNd_SNa";;;;;;;0.87;;-1.88;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM411132;MM411132;C=CNC(=O)N(C=O)N=C;CSJQELOEKGCBRF-UHFFFAOYSA-N;141.13;-0.09;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_P2";;;;;;;-1.06;;-3.82;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM411133;MM411133;O=CON=c1[nH]oc(=O)o1;WNOQAKLSRISRBK-UHFFFAOYSA-N;146.06;-1.45;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_SP2";;;;;;;-1.06;;-8.57;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM411134;MM411134;CCC(=NOCOC)NN;BQZCGRKQQHPMJI-UHFFFAOYSA-N;147.18;-0.21;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nd_P2";;;;;;;-0.24;;-3.16;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM411135;MM411135;CCC1CC2CC2(CO)N1;UAUOHZZERCHAPC-UHFFFAOYSA-N;141.21;0.51;;;;;DOPC;MDCG;27;1;"MARTINI bead: SN0_SP1";;;;;;;0.34;;-4.78;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM411136;MM411136;C=CCC1COC(NN)=N1;BLPDYVIOVWUNMM-UHFFFAOYSA-N;141.17;-0.22;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP2_SN0";;;;;;;0.06;;-2.21;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM411137;MM411137;CNc1coc(C#N)c1C;PZYPVVYRQRTEFF-UHFFFAOYSA-N;136.15;1.5;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNd_SN0";;;;;;;1.17;;-1.04;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM411138;MM411138;CN=C(CN)NOCOC;IVWLDSDJGKMNJZ-UHFFFAOYSA-N;147.18;-0.9;;;;;DOPC;MDCG;27;1;"MARTINI bead: P2_P2";;;;;;;-1.34;;-5.35;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM411139;MM411139;N=CN(C=N)C(=N)OC=O;LFMMXDQBBTVBJG-UHFFFAOYSA-N;142.12;-0.39;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_P2";;;;;;;-1.34;;-4.31;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM411140;MM411140;CN1CC(CO)C=CC1=N;CPBYXTFPFFVZLJ-UHFFFAOYSA-N;140.19;0.07;;;;;DOPC;MDCG;27;1;"MARTINI bead: SP1_SNd";;;;;;;0.04;;-7.18;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM411141;MM411141;NCC1CC2CC2(CO)N1;AQXOPFARLYKKCP-UHFFFAOYSA-N;142.2;-0.94;;;;;DOPC;MDCG;27;1;"MARTINI bead: SP1_SP1";;;;;;;-0.79;;-5.88;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM411142;MM411142;C=Cc1occ(NC)c1N;KYGRJAOFCNAQKP-UHFFFAOYSA-N;138.17;1.55;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNd_SC5";;;;;;;1.64;;0.02;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM411143;MM411143;NN=COC=CC1CC1;JZDSVTVMZYZNFT-UHFFFAOYSA-N;126.16;0.83;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_SC5";;;;;;;0.81;;-0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM411144;MM411144;CN=C(NC)NOCCO;SNFDIMHHBXRQEW-UHFFFAOYSA-N;147.18;-1.29;;;;;DOPC;MDCG;27;1;"MARTINI bead: P2_P1";;;;;;;-1.06;;-6.88;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM411145;MM411145;N=CN(C=O)C(=N)OC=O;JFGXHZSYWZTBML-UHFFFAOYSA-N;143.1;-0.84;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_P2";;;;;;;-1.34;;-4.31;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM411146;MM411146;CCC1C=CC(=N)N(N)C1;JZHRVDFJLSKWBJ-UHFFFAOYSA-N;139.2;0.74;;;;;DOPC;MDCG;27;1;"MARTINI bead: SC5_SP1";;;;;;;0.81;;-3.34;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM411147;MM411147;OCC1CC2CC2(CO)N1;JCFCDCZNRNTINB-UHFFFAOYSA-N;143.19;-0.91;;;;;DOPC;MDCG;27;1;"MARTINI bead: SP1_SP1";;;;;;;-0.79;;-5.66;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM411148;MM411148;CNc1coc(C#N)c1N;QXQSYMDBRCTXMV-UHFFFAOYSA-N;137.14;0.78;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNd_SNd";;;;;;;0.87;;-2.11;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM411149;MM411149;C=CCN1CCC(CC)=N1;QFJZIWALESZUJF-UHFFFAOYSA-N;138.21;1.64;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP1_SN0";;;;;;;0.34;;-1.53;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM411150;MM411150;CNC(=NN)NOCCO;SULCJHYKQOXQRC-UHFFFAOYSA-N;148.17;-2.05;;;;;DOPC;MDCG;27;1;"MARTINI bead: P3_P1";;;;;;;-1.93;;-6.32;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM411151;MM411151;C=NOC(=N)N(C=O)C=O;LWOHFABKJBTRKA-UHFFFAOYSA-N;143.1;-0.83;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_P2";;;;;;;-1.34;;-4.31;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM411152;MM411152;OCC12CC1CC(CF)N2;PDSDFGNJPCITDE-UHFFFAOYSA-N;145.18;0.07;;;;;DOPC;MDCG;27;1;"MARTINI bead: SP2_SNa";;;;;;;-0.24;;-4.81;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM411153;MM411153;CN1CC(C#N)C=CC1=N;FKHSDFRDUJZUFS-UHFFFAOYSA-N;135.17;0.61;;;;;DOPC;MDCG;27;1;"MARTINI bead: SP1_SNd";;;;;;;0.04;;-6.86;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM411154;MM411154;CCONC(=O)C(F)(F)F;RJJYEJSBLKBMAU-UHFFFAOYSA-N;157.09;0.62;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_C5";;;;;;;0.81;;-6.09;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM411155;MM411155;CCC1=NN(CC#N)CC1;AVDNZGCODOORHM-UHFFFAOYSA-N;137.19;0.98;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP1_SP1";;;;;;;-0.79;;-3.13;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM411156;MM411156;C=C(C)C(=NOC=O)NN;AOEOSQIBCAJEBD-UHFFFAOYSA-N;143.15;-0.49;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4_P3";;;;;;;0.23;;-1.03;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM411157;MM411157;NCC1CC2CC2(CF)N1;VMBGDSYPPAELND-UHFFFAOYSA-N;144.19;0.04;;;;;DOPC;MDCG;27;1;"MARTINI bead: SP1_SNda";;;;;;;0.04;;-4.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM411158;MM411158;C=COC(=C)N(C=O)N=C;DYYIZQPKBJUSBV-UHFFFAOYSA-N;140.14;0.69;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_P2";;;;;;;0.54;;-1.09;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM411159;MM411159;C=C1CC(CN)C=CC1O;ZJWNLZCAYCLQHN-UHFFFAOYSA-N;139.2;0.44;;;;;DOPC;MDCG;27;1;"MARTINI bead: SC5_SNda";;;;;;;1.64;;-2.64;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM411160;MM411160;C=Cc1occ(OC)c1C;PFOQLOZPWRQIKX-UHFFFAOYSA-N;138.17;2.24;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC5_SC5";;;;;;;2.41;;0.64;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM411161;MM411161;CC(OC=NN)C(C)(F)F;PCUBISAAWLTVDS-UHFFFAOYSA-N;152.14;0.95;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda_N0";;;;;;;1.17;;-1.13;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM411163;MM411163;CN=C(NN)NOCCO;SULCJHYKQOXQRC-UHFFFAOYSA-N;148.17;-2.05;;;;;DOPC;MDCG;27;1;"MARTINI bead: P3_P1";;;;;;;-1.93;;-7.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM411162;MM411162;OCC1CC2CC2(CF)N1;JKFLDOPMROHISR-UHFFFAOYSA-N;145.18;0.07;;;;;DOPC;MDCG;27;1;"MARTINI bead: SP1_SNda";;;;;;;0.04;;-4.3;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM411164;MM411164;C#CCC(=C)C(C#N)C=O;FVZFVNCLGBHYKW-UHFFFAOYSA-N;133.15;0.9;;;;;DOPC;MDCG;27;0;"MARTINI bead: N0_Na";;;;;;;1.17;;-1.18;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM411165;MM411165;CC1C=CC(CN)OC1=O;LWTFJMDQVPFCCN-UHFFFAOYSA-N;141.17;0.06;;;;;DOPC;MDCG;27;1;"MARTINI bead: SNd_SNa";;;;;;;0.87;;-3.69;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM411166;MM411166;COc1coc(C=O)c1C;IFFWJEZPOMKOPL-UHFFFAOYSA-N;140.14;1.41;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNa_SNa";;;;;;;0.87;;-2.22;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM411167;MM411167;CC(OC=NN)C(F)(F)F;DYKRENGLCQSWLO-UHFFFAOYSA-N;156.11;0.86;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda_N0";;;;;;;1.17;;-1.13;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM411168;MM411168;C=CCNN=C(C#N)CC;GKEAUTCPEDMHBC-UHFFFAOYSA-N;137.19;1.05;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_C4";;;;;;;1.37;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM411169;MM411169;CCC1CC2CC2(CC)O1;YMOGLQVKVFEZGP-UHFFFAOYSA-N;140.23;2.35;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC5_SC5";;;;;;;2.41;;0.64;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM411170;MM411170;C#CCC(=N)N(C=N)C=O;OWNCGAMRIBHRJX-UHFFFAOYSA-N;137.14;0.05;;;;;DOPC;MDCG;27;0;"MARTINI bead: P4_N0";;;;;;;-0.88;;-3.74;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM411171;MM411171;NCC1C=CN(O)C(=O)C1;DWIJNSWVLFRJMW-UHFFFAOYSA-N;142.16;-0.3;;;;;DOPC;MDCG;27;1;"MARTINI bead: SP1_SP1";;;;;;;-0.79;;-5.81;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM411172;MM411172;COc1coc(C#N)c1C;KWPHQWDNADGPNT-UHFFFAOYSA-N;137.14;1.47;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNa_SN0";;;;;;;1.17;;-1.18;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM411173;MM411173;C=CCN1CCC(CF)=N1;GMVDUMCUSCNMHO-UHFFFAOYSA-N;142.18;1.2;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP1_SN0";;;;;;;0.34;;-1.53;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM411174;MM411174;NCCONC(=NO)NO;QYLMKOOAHLMPHJ-UHFFFAOYSA-N;150.14;-1.81;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1_P5";;;;;;;-1.94;;-6.99;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM411175;MM411175;C#CCC(=N)N(C=O)C=O;SOTDYUZLOGQVNY-UHFFFAOYSA-N;138.13;-0.4;;;;;DOPC;MDCG;27;0;"MARTINI bead: N0_P4";;;;;;;-0.88;;-3.74;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM411176;MM411176;CCC12CC1CC(CN)O2;KEJJQBLARXRHFQ-UHFFFAOYSA-N;141.21;0.9;;;;;DOPC;MDCG;27;1;"MARTINI bead: SNa_SP1";;;;;;;0.04;;-4.61;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM411177;MM411177;CNC1C=CN(C)C(=O)C1;IBOHNLTXXMWSJV-UHFFFAOYSA-N;140.19;-0.05;;;;;DOPC;MDCG;27;1;"MARTINI bead: SP2_SP1";;;;;;;-1.06;;-5.36;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM411178;MM411178;C=Cc1occ(OC)c1N;MBGZVRLTGZORFB-UHFFFAOYSA-N;139.15;1.51;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNa_SNd";;;;;;;0.87;;-1.88;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM411179;MM411179;N#CCN1CCC(CF)=N1;UOTWDXMWILHZSA-UHFFFAOYSA-N;141.15;0.54;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP1_SP1";;;;;;;-0.79;;-3.13;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM411180;MM411180;CN=c1nc(N)c(N)no1;LRLWNFAMLDHMLK-UHFFFAOYSA-N;141.13;-1.24;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP3_SP3";;;;;;;-3.07;;-6.15;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM411181;MM411181;CCC12CC1CC(CO)O2;VNFFQUXXWBDATB-UHFFFAOYSA-N;142.2;0.94;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNa_SP1";;;;;;;0.04;;-2.54;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM411182;MM411182;C#CCC(=O)N(C=N)C=N;DETYYMWPRCCWKS-UHFFFAOYSA-N;137.14;0.05;;;;;DOPC;MDCG;27;0;"MARTINI bead: P4_N0";;;;;;;-0.88;;-3.74;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM411183;MM411183;COC1C=CN(O)C(=O)C1;QXOREPLPYNPFHR-UHFFFAOYSA-N;143.14;0.14;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNa_SP1";;;;;;;0.04;;-2.54;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM411184;MM411184;COc1coc(C#N)c1N;GLQQFTVYMXWZFM-UHFFFAOYSA-N;138.13;0.74;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNa_SNd";;;;;;;0.87;;-1.88;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM411185;MM411185;CCC1CC2CC2(CN)O1;KWLZGRUMBLUJPI-UHFFFAOYSA-N;141.21;0.9;;;;;DOPC;MDCG;27;1;"MARTINI bead: SC5_SP1";;;;;;;0.81;;-2.6;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM411186;MM411186;C=CCN1CCC(OC)=N1;VLUPHFQWODIPLQ-UHFFFAOYSA-N;140.19;0.84;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP1_SN0";;;;;;;0.34;;-1.53;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM411187;MM411187;C#CC(=O)CC1NC1C=C;JITZKFXGIAPJGC-UHFFFAOYSA-N;135.17;0.11;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP1_Na";;;;;;;0.04;;-2.54;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM411188;MM411188;C#CCC(=O)N(C=N)C=O;LNCWVIBWQKWMAT-UHFFFAOYSA-N;138.13;-0.4;;;;;DOPC;MDCG;27;0;"MARTINI bead: P4_N0";;;;;;;-0.88;;-3.74;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM411189;MM411189;NN=C1N=CC=N1;UPIJNFCTYHQLHV-UHFFFAOYSA-N;96.09;-0.63;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP1_SP1";;;;;;;-0.79;;-3.13;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM411190;MM411190;C=NOC(C)=NN=CCF;RHEBBYBZBYZJNG-UHFFFAOYSA-N;145.14;0.99;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_C4";;;;;;;1.37;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM411191;MM411191;NCC1CC2CC2(CN)O1;HCIHNHXVPVKRJH-UHFFFAOYSA-N;142.2;-0.55;;;;;DOPC;MDCG;27;1;"MARTINI bead: SP1_SP1";;;;;;;-0.79;;-5.53;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM411192;MM411192;COC1=NN(CC#N)CC1;QNWXDCGDFIGPRY-UHFFFAOYSA-N;139.16;0.18;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP1_SP1";;;;;;;-0.79;;-3.13;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM411193;MM411193;CN=C(NOCCN)OC;DCMWOJXVYJXSRJ-UHFFFAOYSA-N;147.18;-0.9;;;;;DOPC;MDCG;27;1;"MARTINI bead: Na_P3";;;;;;;-1.1;;-5.29;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM411194;MM411194;C#CCC(=C)N(C=N)N=C;OKXZPJWWRKYNSB-UHFFFAOYSA-N;135.17;1.05;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_N0";;;;;;;0.34;;-1.53;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM411195;MM411195;CC1C=CN(C=O)CC1=O;QEYZVFQDEPZAIS-UHFFFAOYSA-N;139.15;0.18;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNda_SP2";;;;;;;-0.24;;-3.31;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM411196;MM411196;C=Cc1n[nH]c(CN)c1C;GIFSYHFUNGQOMZ-UHFFFAOYSA-N;137.19;0.82;;;;;DOPC;MDCG;27;1;"MARTINI bead: SP1_SNda";;;;;;;0.04;;-3.91;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM411197;MM411197;NCC12CC1CC(CO)O2;ZJDVVWKHPDQGDH-UHFFFAOYSA-N;143.19;-0.52;;;;;DOPC;MDCG;27;1;"MARTINI bead: SP2_SP1";;;;;;;-1.06;;-5.93;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM411198;MM411198;C#CCC1C=C(CC)CC1;IJXONZQGDYGGBG-UHFFFAOYSA-N;134.22;2.76;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC2_SC4";;;;;;;4.16;;0.44;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM411199;MM411199;C#CCC(=N)N(C=C)N=C;IKMIXMTVKQGROU-UHFFFAOYSA-N;135.17;1.05;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_N0";;;;;;;0.34;;-1.53;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM411200;MM411200;CN1CC1(C)C1NC1C=O;PGNFARCCURPZPA-UHFFFAOYSA-N;140.19;-0.77;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNd_SP2";;;;;;;-0.24;;-3.16;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM411201;MM411201;O=CN1C=CC(O)C(=O)C1;VUZWWYUQYCDOLN-UHFFFAOYSA-N;141.13;-1.1;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP3_SNda";;;;;;;-1.1;;-3.97;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM411202;MM411202;C=NN=CC=C(N)CC#N;JDLLCNYVBYBFTM-UHFFFAOYSA-N;136.16;0.43;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nd_N0";;;;;;;1.17;;-1.04;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM411203;MM411203;NCC12CC1CC(CF)O2;UTHCPWRJWLFJCE-UHFFFAOYSA-N;145.18;0.46;;;;;DOPC;MDCG;27;1;"MARTINI bead: SP2_SNa";;;;;;;-0.24;;-5.35;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM411204;MM411204;C#CCC1C=C(CN)CC1;GTVPTHJCJMNDBU-UHFFFAOYSA-N;135.21;1.3;;;;;DOPC;MDCG;27;1;"MARTINI bead: SNd_SC4";;;;;;;2.2;;-1.67;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM411205;MM411205;C#CCC(=N)N(C=N)N=C;LQUSGBTYMURMJH-UHFFFAOYSA-N;136.16;0.51;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_Nd";;;;;;;-0.24;;-3.16;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM411206;MM411206;CC1C=CN(C=N)NC1=N;BYBCQNQJGAHKID-UHFFFAOYSA-N;138.17;0.54;;;;;DOPC;MDCG;27;1;"MARTINI bead: SP2_SP2";;;;;;;-1.34;;-6.49;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM411207;MM411207;C=Cc1c[nH]c(CC)c1N;XNNPQOPWJYLBHR-UHFFFAOYSA-N;136.2;1.8;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNd_SN0";;;;;;;1.17;;-1.04;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM411208;MM411208;N=c1nn[nH]nc1NC=O;HFDDGSZAGYXNEY-UHFFFAOYSA-N;140.11;-1.75;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP2_SP4";;;;;;;-2.29;;-9.64;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM411209;MM411209;CCC1CC2CC2(CO)O1;LWGVGXTZSQRNAQ-UHFFFAOYSA-N;142.2;0.94;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC5_SP1";;;;;;;0.81;;-0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM411210;MM411210;C#CCC1C=C(CO)CC1;PPCBQGHUILICSZ-UHFFFAOYSA-N;136.19;1.34;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNda_SC4";;;;;;;2.2;;0.49;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM411211;MM411211;CCOCCOC=NNC;ZFFQEUIBKCGMMY-UHFFFAOYSA-N;146.19;0.2;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_P2";;;;;;;0.54;;-1.09;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM411212;MM411212;COC(=NO)NOCCN;VXMBVYSYKKHHTK-UHFFFAOYSA-N;149.15;-1.14;;;;;DOPC;MDCG;27;1;"MARTINI bead: P2_P1";;;;;;;-1.06;;-4.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM411213;MM411213;CC1C=CN(C=O)NC1=N;GCVVXWVBWDRJIT-UHFFFAOYSA-N;139.16;0.09;;;;;DOPC;MDCG;27;1;"MARTINI bead: SP1_SP2";;;;;;;-1.06;;-5.53;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM411214;MM411214;Cc1c(CO)n[nH]c1C#N;LZGCZDUYLQPVPT-UHFFFAOYSA-N;137.14;0.08;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP1_SNd";;;;;;;0.04;;-2.63;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM411215;MM411215;OCC1CC2CC2(CO)O1;AQXHIKAERJUYDD-UHFFFAOYSA-N;144.17;-0.48;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP1_SP1";;;;;;;-0.79;;-3.13;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM411216;MM411216;C#CCC1C=C(CF)CC1;XVOKLUOBOKJWFW-UHFFFAOYSA-N;138.19;2.32;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC5_SC4";;;;;;;2.97;;0.45;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM411217;MM411217;C=NNCCOC=NNC;OLUGMDPZZLZDTC-UHFFFAOYSA-N;144.18;-0.63;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_Nd";;;;;;;-0.24;;-3.16;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM411218;MM411218;COC(=NO)NOCCO;RYALLHCXTCEQJJ-UHFFFAOYSA-N;150.13;-1.11;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_P1";;;;;;;-1.06;;-3.82;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM411219;MM411219;CC1C=CN(C=N)NC1=O;OVIIQTJALIOLLG-UHFFFAOYSA-N;139.16;0.09;;;;;DOPC;MDCG;27;1;"MARTINI bead: SP2_SP2";;;;;;;-1.34;;-5.81;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM411220;MM411220;C=COC(C)C(=N)NN=C;GPZYSBDCVPGYIU-UHFFFAOYSA-N;141.17;0.72;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_P2";;;;;;;0.54;;-1.09;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM411221;MM411221;NCC1CC2CC2(CF)O1;QRGZABDJNDSDGU-UHFFFAOYSA-N;145.18;0.46;;;;;DOPC;MDCG;27;1;"MARTINI bead: SP1_SNa";;;;;;;0.04;;-4.61;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM411222;MM411222;C#CCC1C=C(OC)CC1;UVFYCLITLNZUQH-UHFFFAOYSA-N;136.19;1.95;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC5_SC4";;;;;;;2.97;;0.45;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM411223;MM411223;CNN=COCCOC=O;QYPNNSSESUKJHI-UHFFFAOYSA-N;146.15;-0.66;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_Na";;;;;;;-0.24;;-3.24;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM411224;MM411224;CC=C(CC)OCCCC;DUHCAYQVZIJOOO-UHFFFAOYSA-N;142.24;3.12;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1_C4";;;;;;;4.24;;0.42;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM411225;MM411225;CC1C=CN(C=O)NC1=O;JSZGYFUTBWDXMP-UHFFFAOYSA-N;140.14;-0.36;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP1_SP2";;;;;;;-1.06;;-3.82;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM411226;MM411226;C#Cc1nn[nH]c1O;AUOALHSQNSJHCV-UHFFFAOYSA-N;109.09;-0.51;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP2_SP1";;;;;;;-1.06;;-9.03;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM411227;MM411227;OCC1CC2CC2(CF)O1;PGAHIFHFLQGWBO-UHFFFAOYSA-N;146.16;0.5;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP1_SNa";;;;;;;0.04;;-2.54;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM411228;MM411228;C#CCC1C=C(CF)OC1;YVSTTXQCMNLGES-UHFFFAOYSA-N;140.16;1.51;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNa_SN0";;;;;;;1.17;;-1.18;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM411229;MM411229;C#CC(C=C)C(=C)CCF;HSLVYCPRKMSDIT-UHFFFAOYSA-N;138.19;2.34;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_C5";;;;;;;2.41;;0.64;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM411230;MM411230;CC=C(CC)OCCCN;ZCQWTIJNTITPBO-UHFFFAOYSA-N;143.23;1.67;;;;;DOPC;MDCG;27;1;"MARTINI bead: C4_Nd";;;;;;;2.2;;-2.15;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM411231;MM411231;N=CN1C=CC(N)C(=O)N1;MTCGZYRWISKJFX-UHFFFAOYSA-N;140.15;-1.22;;;;;DOPC;MDCG;27;1;"MARTINI bead: SP2_SP4";;;;;;;-2.29;;-7.29;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM411232;MM411232;CCC12CC1CC(OC)O2;SPKBXDYAHNOCOT-UHFFFAOYSA-N;142.2;1.55;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNa_SNa";;;;;;;0.87;;-2.22;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM411233;MM411233;Cc1c(C#N)n[nH]c1CF;HYQRVAPKAWVXFQ-UHFFFAOYSA-N;139.13;1.06;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNda_SNda";;;;;;;0.87;;-2.07;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM411234;MM411234;C#CCC1C=C(CC)CN1;ZBGLWBJFVNHGII-UHFFFAOYSA-N;135.21;1.32;;;;;DOPC;MDCG;27;1;"MARTINI bead: SN0_SNd";;;;;;;1.17;;-4.07;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM411235;MM411235;C#CC(C#N)C(=C)CCO;GDQAYNYMDDZTSZ-UHFFFAOYSA-N;135.17;0.7;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_N0";;;;;;;0.34;;-1.53;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM411236;MM411236;CC=C(CC)OCCCO;WEAAILZKVGURSH-UHFFFAOYSA-N;144.21;1.7;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4_Nda";;;;;;;2.2;;0.49;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM411237;MM411237;C=CC1C=CN(O)C(=O)C1;UXXIGLPXMFTOQZ-UHFFFAOYSA-N;139.15;0.92;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP1_SN0";;;;;;;0.34;;-1.53;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM411238;MM411238;COC1CC2CC2(CO)O1;ZOBDDGAYVHELLP-UHFFFAOYSA-N;144.17;0.13;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNa_SP1";;;;;;;0.04;;-2.54;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM411239;MM411239;C=NNC(=N)C(C)OC=O;CQLOYHVJIHWKHR-UHFFFAOYSA-N;143.15;-0.27;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_Nd";;;;;;;0.04;;-2.63;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM411240;MM411240;C#CC(C=C)C(=O)CCC;OKEVCDMGQWJTOH-UHFFFAOYSA-N;136.19;1.79;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_C5";;;;;;;2.41;;0.64;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM411241;MM411241;C#CCC1C=C(CN)CN1;TZTICXVRRKPLRH-UHFFFAOYSA-N;136.2;-0.13;;;;;DOPC;MDCG;27;1;"MARTINI bead: SP2_SNd";;;;;;;-0.24;;-5.88;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM411242;MM411242;CC=C(CC)OCCCF;OJPYSQWXJVMKBK-UHFFFAOYSA-N;146.21;2.68;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4_C4";;;;;;;3.53;;0.53;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM411243;MM411243;C#CC(=NN)OCC;YTTYWKHQUUTUQL-UHFFFAOYSA-N;112.13;-0.07;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_P2";;;;;;;0.54;;-1.09;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM411244;MM411244;COC1CC2CC2(CF)O1;BXHSMPKHGUJJIH-UHFFFAOYSA-N;146.16;1.11;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNa_SNa";;;;;;;0.87;;-2.22;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM411245;MM411245;C#CC(C#C)NC(=N)C#N;QUBONNTZSBFJRF-UHFFFAOYSA-N;131.14;-0.29;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_N0";;;;;;;0.06;;-2.21;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM411246;MM411246;C#CC(C#N)C(=O)CCC;RFCDLISIMBFYPZ-UHFFFAOYSA-N;135.17;1.13;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_N0";;;;;;;1.94;;0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM411247;MM411247;CCCCOC(=CF)CC;MXAKTJFDLGATJM-UHFFFAOYSA-N;146.21;3.02;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1_Na";;;;;;;2.91;;0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM411248;MM411248;C#CCC1C=C(CO)CN1;BXFDJXBWJAWDNX-UHFFFAOYSA-N;137.18;-0.1;;;;;DOPC;MDCG;27;1;"MARTINI bead: SP2_SNd";;;;;;;-0.24;;-5.66;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM411249;MM411249;CN1C=CN(C=N)NC1=N;QOBJJVXEZPXTHO-UHFFFAOYSA-N;139.16;-0.25;;;;;DOPC;MDCG;27;1;"MARTINI bead: SP3_SP4";;;;;;;-3.15;;-9.84;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM411250;MM411250;CCC1CC2CC2(OC)O1;MTVXTFDEUGUDNK-UHFFFAOYSA-N;142.2;1.55;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC5_SNa";;;;;;;1.64;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM411251;MM411251;C#CC#CC(=N)NN=CC;RETQLAVGKBXOJX-UHFFFAOYSA-N;133.15;0.2;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nd_Nd";;;;;;;0.87;;-2.11;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM411252;MM411252;C#CC(C=O)C(=O)CCF;FMRKOIDINXLNDG-UHFFFAOYSA-N;142.13;0.36;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_Na";;;;;;;0.04;;-2.54;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM411253;MM411253;C#CCC1C=C(CC)CO1;QCMVPIBSMXJFIK-UHFFFAOYSA-N;136.19;1.74;;;;;DOPC;MDCG;27;0;"MARTINI bead: SN0_SNa";;;;;;;1.17;;-1.18;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM411254;MM411254;CCC(=CF)OCCCO;NGLXUJPGVGXAAP-UHFFFAOYSA-N;148.18;1.61;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_Nda";;;;;;;0.87;;-1.99;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM411255;MM411255;COC12CC1CC(CN)O2;CCTIIKKHFDWYAX-UHFFFAOYSA-N;143.19;0.1;;;;;DOPC;MDCG;27;1;"MARTINI bead: SP1_SP1";;;;;;;-0.79;;-5.21;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM411256;MM411256;N=CN1C=CN(O)C(=N)N1;DZZLZPYLSVWNPW-UHFFFAOYSA-N;141.13;-0.49;;;;;DOPC;MDCG;27;1;"MARTINI bead: SP3_SP4";;;;;;;-3.15;;-8.26;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM411257;MM411257;C#CCC1C=C(CN)CO1;IMEMUZASIUMZFF-UHFFFAOYSA-N;137.18;0.29;;;;;DOPC;MDCG;27;1;"MARTINI bead: SP1_SNa";;;;;;;0.04;;-4.71;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM411258;MM411258;N#Cc1n[nH]c(CO)c1N;MFNRXQJCYZUNJK-UHFFFAOYSA-N;138.13;-0.64;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP1_SP1";;;;;;;-0.79;;-3.13;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM411259;MM411259;C#CC(C#N)C(=O)CCF;AFSWEDHPDHQLRY-UHFFFAOYSA-N;139.13;0.69;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_N0";;;;;;;0.34;;-1.53;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM411260;MM411260;CC=C(CN)OCCCC;PKIRCJMHJYSJBI-UHFFFAOYSA-N;143.23;1.67;;;;;DOPC;MDCG;27;1;"MARTINI bead: C1_P1";;;;;;;2.08;;0.04;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM411261;MM411261;COC12CC1CC(CO)O2;VLHQSSJCUMDCQM-UHFFFAOYSA-N;144.17;0.13;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNa_SP1";;;;;;;0.04;;-2.54;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM411262;MM411262;N=C1NN(C=O)C=CN1O;HXUFDZJRXBXHII-UHFFFAOYSA-N;142.12;-0.94;;;;;DOPC;MDCG;27;1;"MARTINI bead: SP3_SP3";;;;;;;-3.07;;-7.2;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM411263;MM411263;C#CCC1C=C(OC)CO1;AKWMCNZNJYPTBO-UHFFFAOYSA-N;138.17;0.94;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNa_SNa";;;;;;;0.87;;-2.22;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM411264;MM411264;O=CC#CC(F)(F)C=NO;QLLWFMGQDJZTBE-UHFFFAOYSA-N;147.08;0.28;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_C5";;;;;;;0.81;;-6.1;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM411265;MM411265;C#CC(C=C)C(=C)CNC;HHBNILCAEHZSHO-UHFFFAOYSA-N;135.21;1.2;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1_C4";;;;;;;1.37;;-2.37;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM411266;MM411266;CC=C(CN)OCCCO;FTHUYHSDSPAWGS-UHFFFAOYSA-N;145.2;0.25;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nda_P1";;;;;;;0.04;;-4.17;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM411267;MM411267;COC12CC1CC(CF)O2;OPMZGAMMVXBWQU-UHFFFAOYSA-N;146.16;1.11;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNa_SNa";;;;;;;0.87;;-2.22;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM411268;MM411268;CC#CC(=NN)OC;MGCGQRYDXZLLQK-UHFFFAOYSA-N;112.13;-0.07;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_N0";;;;;;;0.34;;-1.53;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM411269;MM411269;C#CCC1CNC(CO)=N1;IBMGUHWPJFELKI-UHFFFAOYSA-N;138.17;-0.63;;;;;DOPC;MDCG;27;1;"MARTINI bead: SP1_SP1";;;;;;;-0.79;;-4.55;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM411270;MM411270;C#CC(C=O)C(=C)CNC;UZNYQCRXKOPLAU-UHFFFAOYSA-N;137.18;0.21;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_P2";;;;;;;-0.24;;-5.28;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM411271;MM411271;CCC(O)C1(C)CC1CC;AACUJNSRWDASDO-UHFFFAOYSA-N;142.24;2.19;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda_SC3";;;;;;;2.57;;0.44;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM411272;MM411272;CCCCOC(=CF)CN;OCMYLCLVIAVJRM-UHFFFAOYSA-N;147.19;1.57;;;;;DOPC;MDCG;27;1;"MARTINI bead: C1_P2";;;;;;;1.8;;-0.3;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM411273;MM411273;O=C(O)C#CC(F)C=NO;QYUKHRIBYCQBDM-UHFFFAOYSA-N;145.09;-0.13;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda_P1";;;;;;;0.04;;-7.6;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM411274;MM411274;CCC12CC1OC(CN)O2;MFXXZPNAVWQTKM-UHFFFAOYSA-N;143.19;0.24;;;;;DOPC;MDCG;27;1;"MARTINI bead: SNa_SP2";;;;;;;-0.24;;-4.56;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM411275;MM411275;C#CC(C#N)C(=C)CNC;MBBATQFRPTULHM-UHFFFAOYSA-N;134.18;0.53;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1_N0";;;;;;;0.34;;-2.93;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM411276;MM411276;C#CCC1CNC(NC)=N1;HWXRPEJPMJTERY-UHFFFAOYSA-N;137.19;-0.44;;;;;DOPC;MDCG;27;1;"MARTINI bead: SP1_SP1";;;;;;;-0.79;;-7.36;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM411277;MM411277;CCc1[nH]nc(C#N)c1F;FPFPFFOCZVJLNZ-UHFFFAOYSA-N;139.13;0.98;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNd_SNda";;;;;;;0.87;;-1.92;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM411278;MM411278;NCCCOC(=CF)CN;MPITXIMDAKNKDD-UHFFFAOYSA-N;148.18;0.12;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1_P1";;;;;;;-0.79;;-5.87;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM411279;MM411279;CCn1ccc(=O)c(=O)o1;XFFBZDFGMZLFGM-UHFFFAOYSA-N;141.13;-0.18;;;;;DOPC;MDCG;27;0;"MARTINI bead: SN0_SP2";;;;;;;0.06;;-2.21;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM411280;MM411280;C#CC(C=C)C(=C)COC;TYMYQVFMWYUSJF-UHFFFAOYSA-N;136.19;1.62;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_C5";;;;;;;1.64;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM411281;MM411281;CCC12CC1OC(CO)O2;ADQRRKSGVGRKPU-UHFFFAOYSA-N;144.17;0.27;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNa_SP2";;;;;;;-0.24;;-3.24;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM411282;MM411282;C=C(OC=NN)C(C)(C)F;CQINATFOEUECTO-UHFFFAOYSA-N;146.17;1.17;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_Nda";;;;;;;1.64;;0.05;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM411283;MM411283;N=NC=CNOC(=O)CF;CFWSQYCBEAXXCL-UHFFFAOYSA-N;147.11;0.51;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_P2";;;;;;;-0.24;;-3.24;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM411284;MM411284;CC=C(CO)OCCCC;BAMWHOZFHWSTNA-UHFFFAOYSA-N;144.21;1.7;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1_P1";;;;;;;2.08;;0.48;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM411285;MM411285;CNn1ccc(=O)c(=O)o1;KHQHCEZPQNAOHB-UHFFFAOYSA-N;142.11;-1.03;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP1_SP2";;;;;;;-1.06;;-3.82;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM411286;MM411286;C#CC(C#N)C(=C)COC;FZKKXIHVRBQBQN-UHFFFAOYSA-N;135.17;0.96;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_N0";;;;;;;1.17;;-1.18;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM411287;MM411287;CCN1CC2CC2(CC)C1;JEGOALRRMXCKOD-UHFFFAOYSA-N;139.24;1.74;;;;;DOPC;MDCG;27;1;"MARTINI bead: SNd_SN0";;;;;;;1.17;;-3.55;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM411288;MM411288;COc1n[nH]c(C#N)c1C;QUBVVQAZLVNAAM-UHFFFAOYSA-N;137.14;0.6;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNda_SNd";;;;;;;0.87;;-1.92;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM411289;MM411289;C#CCN1CCC(CC)=N1;AZTQJRNDMAKJNC-UHFFFAOYSA-N;136.2;1.09;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP1_SP1";;;;;;;-0.79;;-3.13;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM411290;MM411290;CCCCOC(=CF)CO;KNLHBAUGXABQTI-UHFFFAOYSA-N;148.18;1.61;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1_P2";;;;;;;1.8;;0.4;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM411291;MM411291;C#CC(C=C)C(=O)NCC;MQEGQGMZESNNLO-UHFFFAOYSA-N;137.18;0.56;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_C5";;;;;;;0.81;;-0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM411292;MM411292;COn1ccc(=O)c(=O)o1;JUJZHSQZTPYFFZ-UHFFFAOYSA-N;143.1;-1.14;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNa_SP2";;;;;;;-0.24;;-3.24;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM411293;MM411293;CCN1CC2CC2(CN)C1;BADOHHDHAMSNAI-UHFFFAOYSA-N;140.23;0.29;;;;;DOPC;MDCG;27;1;"MARTINI bead: SNd_SP2";;;;;;;-0.24;;-5.58;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM411294;MM411294;C#CC(F)=CN=CNN=C;RFBOXHXNYTXHHC-UHFFFAOYSA-N;139.13;0.66;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_P1";;;;;;;0.81;;-0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM411295;MM411295;C=C(OC=NN)C(C)(F)F;UKOOUORLQKOMFP-UHFFFAOYSA-N;150.13;1.07;;;;;DOPC;MDCG;27;0;"MARTINI bead: N0_Nda";;;;;;;1.17;;-1.13;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM411296;MM411296;NCCCOC(=CF)CO;BGSQAEDHZSDOJX-UHFFFAOYSA-N;149.17;0.16;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_P2";;;;;;;-0.24;;-5.88;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM411297;MM411297;C#CC(C=C)C(=N)NNC;QZXGHJXXJZLQDA-UHFFFAOYSA-N;137.19;0.12;;;;;DOPC;MDCG;27;1;"MARTINI bead: P4_C5";;;;;;;-0.41;;-4.4;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM411298;MM411298;CCn1cnc(=N)c(=O)o1;HPKUKRFAJAFKNO-UHFFFAOYSA-N;141.13;-0.66;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP2_SP3";;;;;;;-2.2;;-5.19;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM411299;MM411299;C#CCN1CCC(CF)=N1;HXCRSLSPWDTSJF-UHFFFAOYSA-N;140.16;0.65;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP1_SP1";;;;;;;-0.79;;-3.13;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM411300;MM411300;CCN1CC2CC2(CO)C1;ROGPFWNMBVXPLW-UHFFFAOYSA-N;141.21;0.32;;;;;DOPC;MDCG;27;1;"MARTINI bead: SNd_SP2";;;;;;;-0.24;;-5.02;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM411301;MM411301;O=c1nn[nH]nc1CCF;CZLNFQCQWXZQBT-UHFFFAOYSA-N;144.11;-0.93;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP2_SP2";;;;;;;-1.34;;-9.58;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM411302;MM411302;CC=C(CF)OCCCC;AQRSUAYQRKIOFF-UHFFFAOYSA-N;146.21;2.68;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1_Na";;;;;;;2.91;;0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM411303;MM411303;CONC(=O)C(=O)CO;OLVLWMSPPGRBLO-UHFFFAOYSA-N;133.1;-1.77;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_P2";;;;;;;-1.34;;-9.01;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM411304;MM411304;C#CCN1CCC(OC)=N1;NYKZZZKYIGOMMG-UHFFFAOYSA-N;138.17;0.29;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP1_SP1";;;;;;;-0.79;;-3.13;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM411305;MM411305;CCn1cnc(=O)c(=O)o1;JQPPRSNOLDSNNG-UHFFFAOYSA-N;142.11;-0.78;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP2_SP3";;;;;;;-2.2;;-5.19;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM411306;MM411306;CCN1CC2CC2(CF)C1;LJTXDYNEYBEXIK-UHFFFAOYSA-N;143.21;1.3;;;;;DOPC;MDCG;27;1;"MARTINI bead: SNd_SNa";;;;;;;0.87;;-3.78;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM411307;MM411307;CCCCC(O)C1(C)CC1;YXRYHRQFTWJYJP-UHFFFAOYSA-N;142.24;2.34;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_SC5";;;;;;;2.41;;0.64;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM411308;MM411308;CC=C(CF)OCCCO;BOZRSHODNWOUKX-UHFFFAOYSA-N;148.18;1.26;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_Nda";;;;;;;0.87;;-1.99;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM411309;MM411309;CC#CCCOC=NNC;NIWWLLBPOAEHGA-UHFFFAOYSA-N;140.19;0.58;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_C4";;;;;;;1.37;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM411310;MM411310;C=CC1=CC(CCN)CC1;MBBALPSGLDOJIH-UHFFFAOYSA-N;137.23;1.86;;;;;DOPC;MDCG;27;1;"MARTINI bead: SC5_SC3";;;;;;;3.34;;0.34;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM411311;MM411311;CCN1CC2CC2(NC)C1;TUNQDEIZTUDKLK-UHFFFAOYSA-N;140.23;0.3;;;;;DOPC;MDCG;27;1;"MARTINI bead: SNd_SP2";;;;;;;-0.24;;-5.48;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM411312;MM411312;CNn1cnc(=N)c(=O)o1;QJNIKJNZQUFODF-UHFFFAOYSA-N;142.12;-1.51;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP3_SP3";;;;;;;-3.07;;-6.15;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM411313;MM411313;C=Cc1onc(CC)c1C;DOBARUDHHYYKCH-UHFFFAOYSA-N;137.18;2.19;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC5_SN0";;;;;;;1.94;;0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM411314;MM411314;CCCCOC(=CF)CF;ZPPDYVSRXTYGHN-UHFFFAOYSA-N;150.17;2.58;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1_Na";;;;;;;2.91;;0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM411315;MM411315;C=CC1=CC(CNC)CC1;ABSFTODOCZKLOH-UHFFFAOYSA-N;137.23;1.73;;;;;DOPC;MDCG;27;1;"MARTINI bead: SNd_SC3";;;;;;;2.57;;-1.87;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM411316;MM411316;CC(=N)n1onc(O)c1=O;OQAHZCPHYWBXMM-UHFFFAOYSA-N;143.1;-0.61;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP2_SP1";;;;;;;-1.06;;-8.5;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM411317;MM411317;CNn1cnc(=O)c(=O)o1;SFSZSNWLBJBXCU-UHFFFAOYSA-N;143.1;-1.63;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP3_SP3";;;;;;;-3.07;;-6.15;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM411318;MM411318;CCN1CC2CC2(OC)C1;IZHOVUNSDDPVNV-UHFFFAOYSA-N;141.21;0.73;;;;;DOPC;MDCG;27;1;"MARTINI bead: SNd_SP1";;;;;;;0.04;;-4.6;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM411319;MM411319;CCc1noc(C=O)c1C;GRBWAQCLVAQNSK-UHFFFAOYSA-N;139.15;1.36;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC5_SNa";;;;;;;1.64;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM411320;MM411320;CC=C(CC)OCCNC;SPWUVEQHIDKHGM-UHFFFAOYSA-N;143.23;1.54;;;;;DOPC;MDCG;27;1;"MARTINI bead: C4_Nd";;;;;;;2.2;;-1.73;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM411321;MM411321;C#CC(C=O)C(=C)OCC;SUZIGJLELQWFCZ-UHFFFAOYSA-N;138.17;0.98;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_Na";;;;;;;1.64;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM411322;MM411322;CCNC1C=C(C=O)CC1;WOAAKBDKFKZVSE-UHFFFAOYSA-N;139.2;0.88;;;;;DOPC;MDCG;27;1;"MARTINI bead: SC5_SNa";;;;;;;1.64;;-2.17;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM411323;MM411323;CCC12CC(CN)CC1N2;PVQUOLKVCNUXAV-UHFFFAOYSA-N;140.23;0.48;;;;;DOPC;MDCG;27;1;"MARTINI bead: SNd_SC5";;;;;;;1.64;;-2.71;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM411324;MM411324;CCC(=CF)OCCNC;DBRYECWHXHBCAL-UHFFFAOYSA-N;147.19;1.44;;;;;DOPC;MDCG;27;1;"MARTINI bead: Na_Nd";;;;;;;0.87;;-4.19;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM411325;MM411325;CCn1nnc(=N)c(=O)o1;WFQVFECQOBSAIQ-UHFFFAOYSA-N;142.12;-1.27;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP2_SP2";;;;;;;-1.34;;-4.31;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM411326;MM411326;CCc1noc(C#N)c1C;JQIKFHIGGPTTSJ-UHFFFAOYSA-N;136.15;1.42;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC5_SN0";;;;;;;1.94;;0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM411327;MM411327;C#CC(C=C)C(=O)OCC;QAHGDLWEUINBCM-UHFFFAOYSA-N;138.17;0.98;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_C5";;;;;;;1.64;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM411328;MM411328;C=CC1=CC(CCC)CO1;QMKRQLUCLWEYKI-UHFFFAOYSA-N;138.21;2.5;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC4_SNa";;;;;;;2.2;;0.34;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM411329;MM411329;CCn1nnc(=O)c(=O)o1;DAQJUJZGSGMHRC-UHFFFAOYSA-N;143.1;-1.39;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP2_SP2";;;;;;;-1.34;;-4.31;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM411330;MM411330;CCC1CC2NC2(CN)C1;JWWYQMDHHPFDNH-UHFFFAOYSA-N;140.23;0.48;;;;;DOPC;MDCG;27;1;"MARTINI bead: SC1_SP2";;;;;;;1.8;;-0.88;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM411331;MM411331;CC=C(CF)OCCNC;CZJBOAFBAXFLOT-UHFFFAOYSA-N;147.19;1.1;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_Na";;;;;;;0.87;;-4.19;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM411332;MM411332;C=Cc1onc(CO)c1C;CAMMRMDUVONWPQ-UHFFFAOYSA-N;139.15;1.12;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNda_SN0";;;;;;;1.17;;-1.13;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM411333;MM411333;C#CC(C#N)C(=O)OCC;MREPROIKXTVXNY-UHFFFAOYSA-N;137.14;0.32;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_N0";;;;;;;1.17;;-1.18;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM411334;MM411334;C=CC1=CC(CCN)CO1;ARVBUGOEJAQPQF-UHFFFAOYSA-N;139.2;1.05;;;;;DOPC;MDCG;27;1;"MARTINI bead: SP1_SNa";;;;;;;0.04;;-5.31;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM411335;MM411335;C=CC1C=CC(=C)C(=O)N1;WHTQGFKZXBQCCL-UHFFFAOYSA-N;135.17;0.78;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNd_SNa";;;;;;;0.87;;-1.88;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM411336;MM411336;NCC1CC2NC2(CN)C1;ABHCIIGAELTJMB-UHFFFAOYSA-N;141.22;-0.98;;;;;DOPC;MDCG;27;1;"MARTINI bead: SC5_SP2";;;;;;;0.54;;-3.93;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM411337;MM411337;CC=C(CC)OCCOC;UVSQPWGXVMCWEV-UHFFFAOYSA-N;144.21;1.96;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4_Na";;;;;;;2.2;;0.34;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM411338;MM411338;C=Cc1onc(CF)c1C;SOPVWKOCHWDSHR-UHFFFAOYSA-N;141.15;2.1;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNa_SN0";;;;;;;1.17;;-1.18;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM411339;MM411339;C#CC(C#N)C(=C)CC=O;WQOGLBXYKFZBNB-UHFFFAOYSA-N;133.15;0.9;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_N0";;;;;;;1.17;;-1.18;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM411340;MM411340;CCNC1C=C(C=O)OC1;WNGNDUDMQDWGKM-UHFFFAOYSA-N;141.17;0.08;;;;;DOPC;MDCG;27;1;"MARTINI bead: SNd_SNa";;;;;;;0.87;;-3.16;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM411341;MM411341;NCC12CC(CO)CC1N2;IHIGZJQQJUZSEZ-UHFFFAOYSA-N;142.2;-0.94;;;;;DOPC;MDCG;27;1;"MARTINI bead: SP2_SC5";;;;;;;0.54;;-3.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM411342;MM411342;CCC(=CF)OCCOC;OBCFTDVTQWQYEL-UHFFFAOYSA-N;148.18;1.87;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_Na";;;;;;;0.87;;-2.22;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM411343;MM411343;C=Nn1[nH]nc(C)c1=O;WBFOVKUVTPEZLL-UHFFFAOYSA-N;126.12;-0.66;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP1_SP2";;;;;;;-1.06;;-8.57;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM411344;MM411344;Cc1c(CF)noc1C=O;PLVRJHOMUOZFEE-UHFFFAOYSA-N;143.12;1.27;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNa_SNa";;;;;;;0.87;;-2.22;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM411345;MM411345;C#CC(C#N)C(=C)CC#N;XQWOZSLRKYKVFX-UHFFFAOYSA-N;130.15;1.23;;;;;DOPC;MDCG;27;0;"MARTINI bead: N0_N0";;;;;;;1.47;;-0.05;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM411346;MM411346;C=CC1=CC(CCN)NC1;VFEIWGNPJSRZTR-UHFFFAOYSA-N;138.21;0.42;;;;;DOPC;MDCG;27;1;"MARTINI bead: SP1_SP1";;;;;;;-0.79;;-6.29;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM411347;MM411347;NCC12CC(CF)CC1N2;XRHMWKXZBGBNOH-UHFFFAOYSA-N;144.19;0.04;;;;;DOPC;MDCG;27;1;"MARTINI bead: SP2_SC3";;;;;;;1.46;;-2.01;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM411348;MM411348;CC=C(CC)OCOCC;YYFIDZPQDGBLEK-UHFFFAOYSA-N;144.21;2.31;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_C4";;;;;;;2.2;;0.34;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM411349;MM411349;C=CC(C#CC(=O)O)=NO;RLMHTNSNVJJNCQ-UHFFFAOYSA-N;139.11;0.09;;;;;DOPC;MDCG;27;0;"MARTINI bead: N0_P1";;;;;;;0.34;;-6.43;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM411350;MM411350;Cc1c(CF)noc1C#N;QABOCGWMJYZHQG-UHFFFAOYSA-N;140.12;1.32;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNa_SN0";;;;;;;1.17;;-1.18;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM411351;MM411351;C#CC(C=C)C(=C)NC=N;LUXWSRFIAMNASX-UHFFFAOYSA-N;134.18;1.13;;;;;DOPC;MDCG;27;1;"MARTINI bead: C5_P2";;;;;;;0.54;;-4.7;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM411352;MM411352;CCCC1C=C(C=O)CN1;XOLORTBFYULQLU-UHFFFAOYSA-N;139.2;0.88;;;;;DOPC;MDCG;27;1;"MARTINI bead: SC5_SP1";;;;;;;0.81;;-3.28;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM411353;MM411353;NCC1CC2NC2(CO)C1;ZUOPMWLZISGILO-UHFFFAOYSA-N;142.2;-0.94;;;;;DOPC;MDCG;27;1;"MARTINI bead: SC5_SP1";;;;;;;0.81;;-3.29;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM411354;MM411354;C=Cn1nnc(=N)c(N)n1;JLLRSKNCAUPORR-UHFFFAOYSA-N;138.13;-1.16;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP2_SP3";;;;;;;-2.2;;-5.19;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM411355;MM411355;C#CC=C1CCC(O)C1C;ZSSUSOOIVOZZGB-UHFFFAOYSA-N;136.19;1.34;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNda_SC3";;;;;;;2.57;;0.44;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM411356;MM411356;CON=C(CF)NOC=O;UYJJVPSERSWKBW-UHFFFAOYSA-N;150.11;-0.41;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda_P1";;;;;;;0.04;;-2.73;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM411357;MM411357;C#CC(C#N)C(=C)NC=N;IYZKMSDCKRXFBM-UHFFFAOYSA-N;133.15;0.47;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_P2";;;;;;;-0.24;;-6.59;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM411358;MM411358;CCCN1C=C(C=O)CC1;DSPHUWAIIGQPHR-UHFFFAOYSA-N;139.2;1.18;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC5_SP2";;;;;;;0.54;;-1.09;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM411359;MM411359;CC=NNC(C)=NOC;MHZJRGXCXHGZAI-UHFFFAOYSA-N;129.16;0.56;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_Nd";;;;;;;0.87;;-1.88;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM411360;MM411360;CC1=NC(=NN)N=C1;SDVVFQUPOKQMIS-UHFFFAOYSA-N;110.12;-0.24;;;;;DOPC;MDCG;27;0;"MARTINI bead: SN0_SP1";;;;;;;0.34;;-1.53;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM411361;MM411361;C=C1CCC2(O)CC1C2C;OHQXJEDBCFHUTO-UHFFFAOYSA-N;138.21;1.72;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNda_SC3";;;;;;;2.57;;0.44;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM411362;MM411362;CCCNN=c1ocno1;VBZAZHVQVKXHAP-UHFFFAOYSA-N;143.15;0.08;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nd_SP2";;;;;;;-0.24;;-3.16;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM411363;MM411363;C#CC(C=O)C(=C)NC=O;LRNOJURUYHXBPD-UHFFFAOYSA-N;137.14;-0.31;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_Na";;;;;;;-0.24;;-3.24;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM411364;MM411364;CCCN1C=C(C#N)CC1;HQXWRFRBSUTFOX-UHFFFAOYSA-N;136.2;1.51;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC5_SP1";;;;;;;0.81;;-0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM411365;MM411365;CCC#CCC(C#N)=CN;RKXFUBATZUUYEQ-UHFFFAOYSA-N;134.18;1.16;;;;;DOPC;MDCG;27;0;"MARTINI bead: C3_P1";;;;;;;1.74;;0.29;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM411366;MM411366;CCC12CC(NC)CC1N2;JIIGURAJJVELTP-UHFFFAOYSA-N;140.23;0.49;;;;;DOPC;MDCG;27;1;"MARTINI bead: SNd_SNd";;;;;;;0.87;;-4.88;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM411367;MM411367;C=NNC1CC1C#N;SQPBYTCPJVYNHE-UHFFFAOYSA-N;109.13;0.1;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_SN0";;;;;;;0.06;;-2.21;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM411368;MM411368;CCCCOC(CC)=NO;CJGVZQYZDQWLRV-UHFFFAOYSA-N;145.2;2;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1_P1";;;;;;;2.08;;0.48;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM411369;MM411369;C#CC(C=C)C(=N)NC=C;PJHQKVLRFBUXKU-UHFFFAOYSA-N;134.18;1.13;;;;;DOPC;MDCG;27;1;"MARTINI bead: P2_C5";;;;;;;0.54;;-3.94;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM411370;MM411370;CCCN1CCC(C#N)=N1;LHUYPPSANHKIQL-UHFFFAOYSA-N;137.19;0.98;;;;;DOPC;MDCG;27;0;"MARTINI bead: SN0_SP1";;;;;;;0.34;;-1.53;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM411371;MM411371;C=Cc1onc(CO)c1N;OIKMLMLRJKBDSV-UHFFFAOYSA-N;140.14;0.39;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP1_SN0";;;;;;;0.34;;-1.53;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM411372;MM411372;CNC1CC2NC2(CN)C1;AOOPRYOCOOLLRB-UHFFFAOYSA-N;141.22;-0.96;;;;;DOPC;MDCG;27;1;"MARTINI bead: SNd_SP2";;;;;;;-0.24;;-5.96;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM411373;MM411373;Nc1nn(C=O)nnc1=O;RRGATVDUZAUCHI-UHFFFAOYSA-N;141.09;-2.35;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP2_SP3";;;;;;;-2.2;;-5.19;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM411374;MM411374;CCC(=NO)OCCCN;RWLZCRNUXVDIQF-UHFFFAOYSA-N;146.19;0.55;;;;;DOPC;MDCG;27;1;"MARTINI bead: P2_Nda";;;;;;;-0.24;;-6.29;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM411375;MM411375;C=CC1=CC(CC=O)CC1;VLTMNZXWFPVORG-UHFFFAOYSA-N;136.19;2.1;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC3_SNa";;;;;;;2.57;;0.45;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM411376;MM411376;C#CC(C=O)C(=N)NC=N;HMNBVAUEMHTQAM-UHFFFAOYSA-N;137.14;-0.39;;;;;DOPC;MDCG;27;1;"MARTINI bead: P4_Na";;;;;;;-1.19;;-6.19;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM411377;MM411377;CNC1CC2NC2(CO)C1;RSZYVYMXVAZRSV-UHFFFAOYSA-N;142.2;-0.93;;;;;DOPC;MDCG;27;1;"MARTINI bead: SNd_SP1";;;;;;;0.04;;-5.08;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM411378;MM411378;N#Cc1onc(CO)c1N;DOVJMXZWIPDTGU-UHFFFAOYSA-N;139.11;-0.38;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNda_SP1";;;;;;;0.04;;-2.73;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM411379;MM411379;Nn1[nH]nnc1=O;YBABYHZRRNCXLV-UHFFFAOYSA-N;101.07;-2.32;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP2_SP3";;;;;;;-2.2;;-9.5;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM411380;MM411380;CCC(=NO)OCCCO;LMZMAJSHZYWOPE-UHFFFAOYSA-N;147.17;0.58;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_Nda";;;;;;;0.04;;-2.73;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM411381;MM411381;C#CC(C#N)C(=N)NC=N;LWMCHMVIZWDTDY-UHFFFAOYSA-N;134.14;-0.07;;;;;DOPC;MDCG;27;1;"MARTINI bead: P4_N0";;;;;;;-0.88;;-5.05;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM411382;MM411382;C=CC1=CC(CC#N)CC1;BZZMKLNFBJUAOV-UHFFFAOYSA-N;133.19;2.42;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC3_SC5";;;;;;;3.34;;0.48;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM411383;MM411383;CNC1CC2NC2(CF)C1;XEJPILQIUDSEGZ-UHFFFAOYSA-N;144.19;0.05;;;;;DOPC;MDCG;27;1;"MARTINI bead: SNd_SNda";;;;;;;0.87;;-4.67;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM411384;MM411384;Nc1c(CF)noc1C=O;IMVGWQILRCBPDF-UHFFFAOYSA-N;144.11;0.54;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNda_SNa";;;;;;;0.87;;-1.99;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM411385;MM411385;NN=c1o[nH]nc1N;JKVUTIBMAPZPFM-UHFFFAOYSA-N;115.1;-1.64;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP3_SP2";;;;;;;-2.2;;-9.5;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM411386;MM411386;C=CCN1CC1C(=O)C#N;QCBVEOBIHDNUFC-UHFFFAOYSA-N;136.15;-0.05;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNd_P1";;;;;;;0.04;;-2.63;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM411387;MM411387;C#CC(C=O)C(=N)NC=O;XGMLVSHMORRBOO-UHFFFAOYSA-N;138.13;-0.84;;;;;DOPC;MDCG;27;0;"MARTINI bead: P4_Na";;;;;;;-1.19;;-4.76;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM411388;MM411388;C=CCC1C=C(C#N)CC1;LIFRSUAPRHUKAK-UHFFFAOYSA-N;133.19;2.42;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC1_SN0";;;;;;;3.21;;0.46;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM411389;MM411389;COC1CC2NC2(CN)C1;BZKBKDDJLVGOOG-UHFFFAOYSA-N;142.2;-0.54;;;;;DOPC;MDCG;27;1;"MARTINI bead: SC5_SP2";;;;;;;0.54;;-3.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM411390;MM411390;C=Cc1onc(CC)c1F;ZGMAFENREDHWGN-UHFFFAOYSA-N;141.15;2.02;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC5_SN0";;;;;;;1.94;;0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM411391;MM411391;CCC1(C=O)NC1C(=O)O;PPVQHBKLKLIANO-UHFFFAOYSA-N;143.14;-0.61;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP1_P1";;;;;;;-0.79;;-8.05;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM411392;MM411392;C=CC(C)(O)CCC;JNLMZYGDTPRAMM-UHFFFAOYSA-N;114.19;1.72;;;;;DOPC;MDCG;27;0;"MARTINI bead: C3_Nda";;;;;;;2.57;;0.44;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM411393;MM411393;C#CC(C#N)C(=N)NC=O;DWUYZOPUIKJWDQ-UHFFFAOYSA-N;135.13;-0.52;;;;;DOPC;MDCG;27;0;"MARTINI bead: P4_N0";;;;;;;-0.88;;-3.74;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM411394;MM411394;N#CCC1C=C(C=O)CC1;BQSJEFLRFVXHBY-UHFFFAOYSA-N;135.17;1.44;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNa_SC5";;;;;;;1.64;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM411395;MM411395;CCN1CC2NC2(CN)C1;HPCHMPJQLCOGBY-UHFFFAOYSA-N;141.22;-1.01;;;;;DOPC;MDCG;27;1;"MARTINI bead: SNd_SP3";;;;;;;-1.1;;-5.59;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM411396;MM411396;CCc1noc(C#N)c1F;IWZPUSITSHCLJP-UHFFFAOYSA-N;140.12;1.25;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC5_SNa";;;;;;;1.64;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM411397;MM411397;C=Cn1ccc(=O)c(=O)o1;HWENGSLHWPLWLC-UHFFFAOYSA-N;139.11;-0.1;;;;;DOPC;MDCG;27;0;"MARTINI bead: SN0_SP2";;;;;;;0.06;;-2.21;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM411398;MM411398;CC=CC(C)(O)CC;CMOQZBDUMWNJDZ-UHFFFAOYSA-N;114.19;1.72;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda_C4";;;;;;;2.2;;0.49;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM411399;MM411399;N#CC1=CC(CC=O)CC1;OLTQSYSLCBPINV-UHFFFAOYSA-N;135.17;1.44;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNa_SN0";;;;;;;1.17;;-1.18;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM411400;MM411400;C#CC(C=C)C(=O)NC=O;QGUHHADEYDMQPJ-UHFFFAOYSA-N;137.14;-0.31;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_P4";;;;;;;-0.41;;-2.78;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM411401;MM411401;C=Cc1onc(OC)c1C;ILHXEKZJHYLLFV-UHFFFAOYSA-N;139.15;1.63;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNa_SN0";;;;;;;1.17;;-1.18;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM411402;MM411402;CCC1CC2OC2(CC)C1;VJURDZOVJRRUBY-UHFFFAOYSA-N;140.23;2.35;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC1_SC5";;;;;;;3.68;;0.46;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM411403;MM411403;N=Cn1ccc(=O)c(=O)o1;NGDKSJKYNHCUGW-UHFFFAOYSA-N;140.1;-0.74;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP1_SP2";;;;;;;-1.06;;-3.82;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM411404;MM411404;CCC(=NN)OCCNC;VXDLIQALUDAHNG-UHFFFAOYSA-N;145.21;-0.1;;;;;DOPC;MDCG;27;1;"MARTINI bead: P2_Nd";;;;;;;-0.24;;-5.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM411405;MM411405;C=C(OC=NN)C(F)(F)F;VBMWIYMZBZOEDN-UHFFFAOYSA-N;154.09;0.98;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda_N0";;;;;;;1.17;;-1.13;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM411406;MM411406;COc1noc(C#N)c1C;UUUCSBJKFICOBS-UHFFFAOYSA-N;138.13;0.86;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNa_SN0";;;;;;;1.17;;-1.18;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM411407;MM411407;C#CC(C=O)C(=O)NC=C;VYCAEFOIWAUGRB-UHFFFAOYSA-N;137.14;-0.31;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_Na";;;;;;;-0.24;;-3.24;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM411408;MM411408;CCC12CC(CN)CC1O2;ZRRVDYRTUNXZMF-UHFFFAOYSA-N;141.21;0.9;;;;;DOPC;MDCG;27;1;"MARTINI bead: SC5_SC5";;;;;;;2.41;;-0.49;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM411409;MM411409;C=Nn1ccc(=O)c(=O)o1;YVOUDPAXFNVSAY-UHFFFAOYSA-N;140.1;-0.73;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP1_SP2";;;;;;;-1.06;;-3.82;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM411410;MM411410;CNCCOC(CO)=NN;ZYAIYJDCVMAXRE-UHFFFAOYSA-N;147.18;-1.51;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_P5";;;;;;;-1.11;;-7.4;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM411411;MM411411;C=COC1C=C(C#N)CC1;SMKZDKOMPFLWQX-UHFFFAOYSA-N;135.17;1.76;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC4_SN0";;;;;;;2.5;;0.44;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM411412;MM411412;COc1noc(=NN)[nH]1;BXBCLUBPOXBVRR-UHFFFAOYSA-N;130.11;-1.21;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNda_SP3";;;;;;;-1.1;;-8.31;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM411413;MM411413;CC=NN=CC(C=O)OC;DHEXPBAPORWKRS-UHFFFAOYSA-N;142.16;0.28;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_C5";;;;;;;0.81;;-0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM411414;MM411414;CCC1CC2OC2(CN)C1;DBGVOOGGIPYIEO-UHFFFAOYSA-N;141.21;0.9;;;;;DOPC;MDCG;27;1;"MARTINI bead: SC1_SP1";;;;;;;2.08;;-0.46;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM411415;MM411415;C=Cn1cnc(=N)c(=O)o1;GJBCKKLPEPWFBA-UHFFFAOYSA-N;139.11;-0.58;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP2_SP3";;;;;;;-2.2;;-5.19;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM411416;MM411416;CNCCOC(CF)=NN;WJSPLMMNSZGVAV-UHFFFAOYSA-N;149.17;-0.54;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_P2";;;;;;;-0.24;;-5.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM411417;MM411417;C=CCC1C=C(C=O)OC1;PCEJCEDBMFCDAP-UHFFFAOYSA-N;138.17;1.29;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC4_SNa";;;;;;;2.2;;0.34;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM411418;MM411418;C#CC(C=O)C(=O)NC=O;BYHGGUSHAZYPGG-UHFFFAOYSA-N;139.11;-1.29;;;;;DOPC;MDCG;27;0;"MARTINI bead: P4_Na";;;;;;;-1.19;;-4.76;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM411419;MM411419;NCC1CC2OC2(CN)C1;ZCOHFPKPXFEFHP-UHFFFAOYSA-N;142.2;-0.55;;;;;DOPC;MDCG;27;1;"MARTINI bead: SC5_SP1";;;;;;;0.81;;-3.35;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM411420;MM411420;COc1noc(C=O)c1N;SRFWLORHESUMOS-UHFFFAOYSA-N;142.11;0.08;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNda_SNa";;;;;;;0.87;;-1.99;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM411421;MM411421;N=Cn1cnc(=N)c(=O)o1;SOEANKNLXJERQW-UHFFFAOYSA-N;140.1;-1.23;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP3_SP3";;;;;;;-3.07;;-6.15;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM411422;MM411422;CC1=CC(C)C(O)C1;ZPAWCZLTFYYLRL-UHFFFAOYSA-N;112.17;1.33;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC4_SNda";;;;;;;2.2;;0.49;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM411423;MM411423;OCC1CC2OC2(CO)C1;JPAJGGAQDNLFKM-UHFFFAOYSA-N;144.17;-0.48;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC5_SP1";;;;;;;0.81;;-0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM411424;MM411424;N#CC1=CC(NC=N)CO1;SOCBYEPUHZTTBJ-UHFFFAOYSA-N;137.14;-0.01;;;;;DOPC;MDCG;27;1;"MARTINI bead: SP1_SNa";;;;;;;0.04;;-5.66;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM411425;MM411425;C#CC(C=C)C(=O)NN=C;FVBWFSHQJDJSOF-UHFFFAOYSA-N;136.15;0.15;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_P2";;;;;;;0.54;;-1.09;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM411426;MM411426;COc1noc(C#N)c1N;HNPLRUVFDGKWIV-UHFFFAOYSA-N;139.11;0.14;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNa_SP1";;;;;;;0.04;;-2.54;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM411427;MM411427;C=Cn1cnc(=O)c(=O)o1;AYSHYEQCKPAMAY-UHFFFAOYSA-N;140.1;-0.7;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP2_SP3";;;;;;;-2.2;;-5.19;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM411428;MM411428;Cc1cc(N)c(C)[nH]1;KSCXDXVUKMWPJE-UHFFFAOYSA-N;110.16;1.21;;;;;DOPC;MDCG;27;0;"MARTINI bead: SN0_SNd";;;;;;;1.17;;-1.04;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM411429;MM411429;C#CC(C=C)C(=C)OC=C;QAIHGIFECVIMFO-UHFFFAOYSA-N;134.18;2.1;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_C5";;;;;;;2.41;;0.64;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM411430;MM411430;OCC12CC(CF)CC1O2;XCNNRKZOWJBOGK-UHFFFAOYSA-N;146.16;0.5;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP1_SC3";;;;;;;1.74;;0.29;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM411431;MM411431;C=COC1C=C(C=C)OC1;YNOLLIOXHIOYLR-UHFFFAOYSA-N;138.17;1.62;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNa_SNa";;;;;;;0.87;;-2.22;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM411432;MM411432;C#CC1=C(C)C(CC)=CC1;LELOKRGUDVCIEV-UHFFFAOYSA-N;132.21;2.68;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC3_SC5";;;;;;;3.34;;0.48;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM411433;MM411433;N=Cn1cnc(=O)c(=O)o1;MIMSNYDPLYSALI-UHFFFAOYSA-N;141.09;-1.35;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP3_SP3";;;;;;;-3.07;;-6.15;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM411434;MM411434;CCCCOC(=NC)NC;LNJUMFTUDWZIRX-UHFFFAOYSA-N;144.22;1.01;;;;;DOPC;MDCG;27;1;"MARTINI bead: C1_P1";;;;;;;2.08;;0.07;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM411435;MM411435;C=COC1C=C(C#N)OC1;DICKNXZCWMZCOE-UHFFFAOYSA-N;137.14;0.95;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNa_SNa";;;;;;;0.87;;-2.22;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM411436;MM411436;C#CC(C=C)C(=C)OC=O;BSSZESYLVJEDBM-UHFFFAOYSA-N;136.15;1.11;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_Na";;;;;;;1.64;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM411437;MM411437;C#CC1=C(C)C(CN)=CC1;DVPIWNAWDCAWLD-UHFFFAOYSA-N;133.19;1.22;;;;;DOPC;MDCG;27;1;"MARTINI bead: SC5_SNd";;;;;;;1.64;;-2.09;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM411438;MM411438;COC1CC2OC2(CN)C1;PPURIEHDERNBEP-UHFFFAOYSA-N;143.19;-0.11;;;;;DOPC;MDCG;27;1;"MARTINI bead: SC5_SP1";;;;;;;0.81;;-2.53;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM411439;MM411439;O=Cn1cnc(=O)c(=O)o1;NQFUXZSKJRNKTN-UHFFFAOYSA-N;142.07;-1.77;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP3_SP3";;;;;;;-3.07;;-6.15;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM411440;MM411440;CNC(=NO)OCCCN;FTLSSJLVOUQQSX-UHFFFAOYSA-N;147.18;-0.68;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1_P1";;;;;;;-0.79;;-5.55;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM411441;MM411441;C=CCC1C=C(C=C)CN1;ANWXJHHFHVAYPP-UHFFFAOYSA-N;135.21;1.65;;;;;DOPC;MDCG;27;1;"MARTINI bead: SNd_SP1";;;;;;;0.04;;-5.97;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM411443;MM411443;C#CC(C#N)C(=C)OC=O;KFRCNLVOUPKISA-UHFFFAOYSA-N;135.12;0.45;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_N0";;;;;;;1.17;;-1.18;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM411442;MM411442;COC1CC2OC2(CO)C1;NFTAETAJMVGUCH-UHFFFAOYSA-N;144.17;-0.07;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC5_SP1";;;;;;;0.81;;-0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM411444;MM411444;C#CC1=C(C)C(CO)=CC1;HAMLAWCOYQWEIY-UHFFFAOYSA-N;134.18;1.26;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC5_SNda";;;;;;;1.64;;0.05;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM411445;MM411445;C=Nn1cnc(=N)c(=O)o1;GESBEHJXKQNXDO-UHFFFAOYSA-N;140.1;-1.22;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP2_SP3";;;;;;;-2.2;;-5.19;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM411446;MM411446;COC1=NNC(C)C1;QUPMTAPBXFNDKI-UHFFFAOYSA-N;114.15;0.33;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP1_SP1";;;;;;;-0.79;;-3.13;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM411447;MM411447;C=CCC1C=C(C=O)CN1;QESYOJSDDUFEIO-UHFFFAOYSA-N;137.18;0.66;;;;;DOPC;MDCG;27;1;"MARTINI bead: SNd_SP1";;;;;;;0.04;;-5.35;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM411448;MM411448;C#CC(C=C)C(=O)OC=C;WRQNRICPJLGWEI-UHFFFAOYSA-N;136.15;1.11;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_C5";;;;;;;1.64;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM411449;MM411449;C=Nn1cnc(=O)c(=O)o1;QLHBQOWROWLMIO-UHFFFAOYSA-N;141.09;-1.34;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP2_SP3";;;;;;;-2.2;;-5.19;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM411450;MM411450;CCN1CC2OC2(CN)C1;VCVUUAQIGAWTKR-UHFFFAOYSA-N;142.2;-0.58;;;;;DOPC;MDCG;27;1;"MARTINI bead: SNd_SP3";;;;;;;-1.1;;-5.64;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM411451;MM411451;C#CC1=C(C)C(CF)=CC1;AUNNTBMZQGCMKD-UHFFFAOYSA-N;136.17;2.24;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC5_SC5";;;;;;;2.41;;0.64;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM411452;MM411452;CNc1c[nH]c(C)c1;NQEBVKYSNNYEQZ-UHFFFAOYSA-N;110.16;1.36;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNd_SNd";;;;;;;0.87;;-2.11;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM411453;MM411453;C=CC1=CC(CC#N)OC1;BXWOASJBJQEJRS-UHFFFAOYSA-N;135.17;1.41;;;;;DOPC;MDCG;27;0;"MARTINI bead: SN0_SNa";;;;;;;1.17;;-1.18;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM411454;MM411454;C=Cn1nnc(=N)c(=O)o1;XRTDQTFFTSLLNL-UHFFFAOYSA-N;140.1;-1.19;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP2_SP2";;;;;;;-1.34;;-4.31;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM411455;MM411455;C#CC(C#N)C(=O)OC=C;DYYLCPQDRLZSPL-UHFFFAOYSA-N;135.12;0.45;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_N0";;;;;;;1.17;;-1.18;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM411456;MM411456;CCC1CN2CC2(CC)C1;PUAFFXJTDIUYET-UHFFFAOYSA-N;139.24;1.88;;;;;DOPC;MDCG;27;1;"MARTINI bead: SN0_SNd";;;;;;;1.17;;-2.38;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM411457;MM411457;C#CC1=C(C)C(OC)=CC1;AARPITTXKLMHEM-UHFFFAOYSA-N;134.18;1.87;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNa_SC5";;;;;;;1.64;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM411458;MM411458;CN=C(NO)OCCCN;FTLSSJLVOUQQSX-UHFFFAOYSA-N;147.18;-0.68;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1_P1";;;;;;;-0.79;;-5.57;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM411459;MM411459;C#CC(C=C)C(=O)ON=C;KZNLLRCADIMIQO-UHFFFAOYSA-N;137.14;0.58;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_P1";;;;;;;0.81;;-0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM411460;MM411460;N#CCC1C=C(C=O)CO1;PNXCFIGIBWYPQJ-UHFFFAOYSA-N;137.14;0.42;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP1_SNa";;;;;;;0.04;;-2.54;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM411461;MM411461;N=Cn1nnc(=N)c(=O)o1;WCQOCUOWEODMHJ-UHFFFAOYSA-N;141.09;-1.83;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP3_SP2";;;;;;;-2.2;;-5.19;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM411462;MM411462;CCC12CC(CN)CN1C2;ICEZTIODJMTYRJ-UHFFFAOYSA-N;140.23;0.43;;;;;DOPC;MDCG;27;1;"MARTINI bead: SNd_SP2";;;;;;;-0.24;;-5.63;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM411463;MM411463;C#Cc1[nH]cc(CC)c1C;IOXOVDWCVTZAHJ-UHFFFAOYSA-N;133.19;1.87;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC5_SNd";;;;;;;1.64;;0.02;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM411464;MM411464;NCCCOC(=NO)NO;LOIHMLXVBIWNKF-UHFFFAOYSA-N;149.15;-0.92;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_P3";;;;;;;-1.1;;-6.22;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM411465;MM411465;C=Cn1nnc(=O)c(=O)o1;XYUXATLPCACVJA-UHFFFAOYSA-N;141.09;-1.31;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP2_SP2";;;;;;;-1.34;;-4.31;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM411466;MM411466;C#CCC(=C)C(C#C)C#N;PSVYUAUZIYAUQC-UHFFFAOYSA-N;129.16;1.34;;;;;DOPC;MDCG;27;0;"MARTINI bead: N0_N0";;;;;;;1.47;;-0.05;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM411467;MM411467;CCC1CN2CC2(CN)C1;XCXBYJFIRUEEGT-UHFFFAOYSA-N;140.23;0.43;;;;;DOPC;MDCG;27;1;"MARTINI bead: SN0_SP1";;;;;;;0.34;;-3.54;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM411468;MM411468;C=CCN1C=C(C=O)CC1;LQHSBBQIRMQICN-UHFFFAOYSA-N;137.18;0.96;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNd_SP2";;;;;;;-0.24;;-3.16;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM411469;MM411469;C#Cc1[nH]cc(CN)c1C;TVYBVNOQZLKFEX-UHFFFAOYSA-N;134.18;0.76;;;;;DOPC;MDCG;27;1;"MARTINI bead: SP1_SNd";;;;;;;0.04;;-4.48;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM411470;MM411470;OCCCOC(=NO)NO;HGMUSWPPWNSVRE-UHFFFAOYSA-N;150.13;-0.89;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda_P3";;;;;;;-1.1;;-3.97;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM411471;MM411471;C#CC(C#C)C(=C)CCN;SJAMXONHHDQUKU-UHFFFAOYSA-N;133.19;0.77;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_N0";;;;;;;1.17;;-3.79;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM411472;MM411472;N=Cn1nnc(=O)c(=O)o1;VSOLJVYZUYOIEJ-UHFFFAOYSA-N;142.07;-1.95;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP3_SP2";;;;;;;-2.2;;-5.19;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM411473;MM411473;C=CCN1C=C(C#N)CC1;PHTSSGCFQXWOHL-UHFFFAOYSA-N;134.18;1.29;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNd_SP1";;;;;;;0.04;;-2.63;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM411474;MM411474;NCC1CN2CC2(CN)C1;KZWUEMSYGDOOOC-UHFFFAOYSA-N;141.22;-1.02;;;;;DOPC;MDCG;27;1;"MARTINI bead: SP2_SP1";;;;;;;-1.06;;-6.4;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM411475;MM411475;C#Cc1[nH]cc(CO)c1C;ZJKRSJOCVZWCTG-UHFFFAOYSA-N;135.17;0.8;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNda_SNd";;;;;;;0.87;;-1.92;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM411476;MM411476;CNCCOC(=NO)NC;STQHDEUIJSDVGI-UHFFFAOYSA-N;147.18;-0.81;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1_P1";;;;;;;-0.79;;-4.83;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM411477;MM411477;CC=C1C=CC(=N)N(C)C1;KPFBUCLFPJJYBD-UHFFFAOYSA-N;136.2;1.41;;;;;DOPC;MDCG;27;1;"MARTINI bead: SN0_SNd";;;;;;;1.17;;-5;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM411478;MM411478;C#CC(C#C)C(=O)CCO;HULGPQYDLJAXQL-UHFFFAOYSA-N;136.15;-0.18;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_Na";;;;;;;0.04;;-2.54;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM411479;MM411479;C=CCCC(O)C(C)C;HZXRKEFLPMNBGL-UHFFFAOYSA-N;128.22;1.97;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda_C3";;;;;;;2.57;;0.44;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM411480;MM411480;N#CCN1C=C(C=O)CC1;QYVBERGNEGDRDK-UHFFFAOYSA-N;136.15;0.3;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP2_SNd";;;;;;;-0.24;;-3.16;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM411481;MM411481;CC=COCON=CCF;FSFURZNJFFHHSU-UHFFFAOYSA-N;147.15;1.47;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_P1";;;;;;;0.81;;-0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM411482;MM411482;CNCCOC(=NN)NN;RMTWGVHHTXNCJS-UHFFFAOYSA-N;147.18;-2.08;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_P3";;;;;;;-1.1;;-5.63;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM411483;MM411483;CN1CC(=CF)C=CC1=N;LFLDKXMDFDVKOW-UHFFFAOYSA-N;140.16;1.32;;;;;DOPC;MDCG;27;1;"MARTINI bead: SNa_SNd";;;;;;;0.87;;-5.71;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM411484;MM411484;C#CC(C#C)C(=O)CCF;NJXUNOFXMYJVLR-UHFFFAOYSA-N;138.14;0.8;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_Na";;;;;;;0.87;;-2.22;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM411485;MM411485;N#CCN1C=C(C#N)CC1;OLARXMOYXHVVFJ-UHFFFAOYSA-N;133.15;0.62;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNd_SP1";;;;;;;0.04;;-2.63;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM411486;MM411486;NCC1CN2CC2(CO)C1;NFLVLNMQOGXPEM-UHFFFAOYSA-N;142.2;-0.99;;;;;DOPC;MDCG;27;1;"MARTINI bead: SP2_SP1";;;;;;;-1.06;;-6.28;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM411487;MM411487;C#Cc1[nH]cc(CN)c1N;CQQLYXPOIVBZBX-UHFFFAOYSA-N;135.17;0.04;;;;;DOPC;MDCG;27;1;"MARTINI bead: SP1_SNd";;;;;;;0.04;;-3.96;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM411488;MM411488;CNCCOC(=NO)NN;IRCUQEBWHRKEMC-UHFFFAOYSA-N;148.17;-1.57;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_P3";;;;;;;-1.1;;-5.62;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM411489;MM411489;CN1CC(=CF)C=CC1=O;SOXIFRVJSUSEIO-UHFFFAOYSA-N;141.15;0.87;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNa_SNda";;;;;;;0.87;;-1.99;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM411490;MM411490;C#CC(C#C)C(=C)COC;BKSCHKPRLFFODV-UHFFFAOYSA-N;134.18;1.07;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_N0";;;;;;;1.17;;-1.18;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM411491;MM411491;CCC12CC(OC)CN1C2;YCZKUTGITPPWMD-UHFFFAOYSA-N;141.21;0.87;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNd_SP1";;;;;;;0.04;;-2.63;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM411492;MM411492;CN=C(NO)OCCNC;STQHDEUIJSDVGI-UHFFFAOYSA-N;147.18;-0.81;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1_P1";;;;;;;-0.79;;-4.84;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM411493;MM411493;N=CNN1C=C(C=O)CC1;KYKHMHZXHVAXTC-UHFFFAOYSA-N;139.16;-0.11;;;;;DOPC;MDCG;27;1;"MARTINI bead: SP2_SP2";;;;;;;-1.34;;-6.68;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM411494;MM411494;C#Cc1[nH]cc(CO)c1N;GMGOKKDIRNQPQB-UHFFFAOYSA-N;136.15;0.07;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNda_SNd";;;;;;;0.87;;-1.92;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM411495;MM411495;CN1CC(=NN)C=CC1=N;XWWPMIQHTMMILB-UHFFFAOYSA-N;138.17;-0.22;;;;;DOPC;MDCG;27;1;"MARTINI bead: SP2_SNd";;;;;;;-0.24;;-6.35;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM411496;MM411496;C#CC(C#C)C(=O)COC;JVRHSRGRIPTWJQ-UHFFFAOYSA-N;136.15;0.08;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_N0";;;;;;;0.34;;-1.53;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM411497;MM411497;COC1CN2CC2(CN)C1;FCUVKEXLAXCNOR-UHFFFAOYSA-N;142.2;-0.58;;;;;DOPC;MDCG;27;1;"MARTINI bead: SP1_SP1";;;;;;;-0.79;;-5.12;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM411498;MM411498;CNCCOC(=NN)NO;IRCUQEBWHRKEMC-UHFFFAOYSA-N;148.17;-1.57;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_P3";;;;;;;-1.1;;-5.63;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM411499;MM411499;CC=NOC=NN=CCF;FJYIZLBBWHECMP-UHFFFAOYSA-N;145.14;0.99;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_C5";;;;;;;1.64;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM411500;MM411500;N#CC1=CN(NC=N)CC1;XTNOAUCJADZPIJ-UHFFFAOYSA-N;136.16;0.21;;;;;DOPC;MDCG;27;1;"MARTINI bead: SP2_SP1";;;;;;;-1.06;;-6.18;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM411501;MM411501;CN1CC(=NO)C=CC1=N;LONJCYVCCRILNV-UHFFFAOYSA-N;139.16;0.3;;;;;DOPC;MDCG;27;1;"MARTINI bead: SP1_SNd";;;;;;;0.04;;-5.65;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM411502;MM411502;CNN=COCC=COC;TUBDURJFBLZIPJ-UHFFFAOYSA-N;144.17;0.33;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_C5";;;;;;;0.54;;-1.09;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM411503;MM411503;C=CC1CC2CC2(CC)C1;CGSUTAXBXQDMOC-UHFFFAOYSA-N;136.24;3;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC2_SC2";;;;;;;4.78;;0.59;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM411504;MM411504;C=CCN1CCC(C=C)=N1;UHSBYYSUIREFKN-UHFFFAOYSA-N;136.2;1.42;;;;;DOPC;MDCG;27;0;"MARTINI bead: SN0_SP1";;;;;;;0.34;;-1.53;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM411505;MM411505;CNCCOC(=NO)NO;SLMSOWIINQMJMH-UHFFFAOYSA-N;149.15;-1.05;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_P3";;;;;;;-1.1;;-5.6;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM411506;MM411506;C#Cc1[nH]cc(CC)c1F;MIDILFASBYTKHN-UHFFFAOYSA-N;137.16;1.7;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC5_SNda";;;;;;;1.64;;0.05;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM411507;MM411507;N=C1C=CC(=NN)CN1N;JUEQHPGSSSCRTL-UHFFFAOYSA-N;139.16;-0.98;;;;;DOPC;MDCG;27;1;"MARTINI bead: SP2_SP1";;;;;;;-1.06;;-5.2;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM411508;MM411508;C#CC(C#C)C(=C)OCC;PSTPADIMUIHPSX-UHFFFAOYSA-N;134.18;1.42;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_N0";;;;;;;1.94;;0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM411509;MM411509;CCC12CC(C=O)CC1C2;PKCIARQXUPVGBY-UHFFFAOYSA-N;138.21;2.01;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC2_SNa";;;;;;;2.83;;0.35;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM411510;MM411510;C=CC1=NN(CC#N)CC1;IYGALEFXVQGTNB-UHFFFAOYSA-N;135.17;0.76;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP1_SP1";;;;;;;-0.79;;-3.13;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM411511;MM411511;CCc1cc(N)c[nH]1;KASATKOSXAEAET-UHFFFAOYSA-N;110.16;1.16;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC5_SP1";;;;;;;0.81;;-0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM411512;MM411512;C#Cc1[nH]cc(CN)c1F;YVVVCYBMUSXDCZ-UHFFFAOYSA-N;138.15;0.59;;;;;DOPC;MDCG;27;1;"MARTINI bead: SP1_SNda";;;;;;;0.04;;-4.09;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM411513;MM411513;CC1=CC(C)CC1(C)O;GMGYVNIMFAGCJO-UHFFFAOYSA-N;126.2;1.72;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC4_SC5";;;;;;;2.97;;0.45;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM411514;MM411514;C#CC(C#C)C(=O)OCC;NQJSBAWVVBGLSS-UHFFFAOYSA-N;136.15;0.43;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_N0";;;;;;;1.17;;-1.18;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM411515;MM411515;CCC12CC(C#N)CC1C2;OPTDMZIKQGKGRZ-UHFFFAOYSA-N;135.21;2.34;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC2_SC5";;;;;;;3.6;;0.34;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM411516;MM411516;CC1=CCC(O)C1C;OKZUKTRZPVWQRQ-UHFFFAOYSA-N;112.17;1.33;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNda_SC2";;;;;;;2.83;;0.57;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM411517;MM411517;C=CCN1CCC(C=O)=N1;NMWHLKUXCGDUHR-UHFFFAOYSA-N;138.17;0.43;;;;;DOPC;MDCG;27;0;"MARTINI bead: SN0_SP1";;;;;;;0.34;;-1.53;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM411518;MM411518;C#Cc1[nH]cc(CO)c1F;OIEIHDQRLMNBME-UHFFFAOYSA-N;139.13;0.63;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNda_SNda";;;;;;;0.87;;-2.07;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM411519;MM411519;C#CC#CC(N)=CC(=O)O;WBPKNCUEMMRDBZ-UHFFFAOYSA-N;135.12;-0.45;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_N0";;;;;;;0.34;;-6.43;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM411520;MM411520;C#CC(C#C)C(=C)CC=O;QZRXVZFKNFJHJP-UHFFFAOYSA-N;132.16;1.01;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_N0";;;;;;;1.17;;-1.18;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM411521;MM411521;C=CC1CC2CC2(CN)C1;YLTWIDQKVWKQBU-UHFFFAOYSA-N;137.23;1.55;;;;;DOPC;MDCG;27;1;"MARTINI bead: SNd_SC2";;;;;;;2.83;;-0.46;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM411522;MM411522;CC(=O)C(C)N1CC1;ZKZBOUXDNOJTOC-UHFFFAOYSA-N;113.16;0.28;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNd_Na";;;;;;;0.87;;-1.88;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM411523;MM411523;C=CCN1CCC(C#N)=N1;BFFRULANUXPNHG-UHFFFAOYSA-N;135.17;0.76;;;;;DOPC;MDCG;27;0;"MARTINI bead: SN0_SP1";;;;;;;0.34;;-1.53;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM411524;MM411524;CCC1=NN=C(NC)CC1;HGAKVMAVVCWZFV-UHFFFAOYSA-N;139.2;1.16;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC5_SNd";;;;;;;1.64;;0.03;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM411525;MM411525;CC1=C(C)C(C)(O)CC1;DRWRRIMDZUSRJA-UHFFFAOYSA-N;126.2;1.87;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC3_SNda";;;;;;;2.57;;0.44;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM411526;MM411526;C=CCC(C)C(O)CC;QMMJAABEFZXPBD-UHFFFAOYSA-N;128.22;1.97;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda_C1";;;;;;;2.91;;0.57;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM411527;MM411527;C#CC(C#C)C(=C)CC#N;SARGWBQSOSFOHA-UHFFFAOYSA-N;129.16;1.34;;;;;DOPC;MDCG;27;0;"MARTINI bead: N0_N0";;;;;;;1.47;;-0.05;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM411528;MM411528;C=CCC(=C)C(C)(C)O;WWYXJFCCTURDAT-UHFFFAOYSA-N;126.2;1.89;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda_C2";;;;;;;2.83;;0.57;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM411529;MM411529;N#CCN1CCC(C=O)=N1;OEYDYZUWYSNGEA-UHFFFAOYSA-N;137.14;-0.23;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP1_SP1";;;;;;;-0.79;;-3.13;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM411530;MM411530;C#CCON=CCF;NGECVWCXSHFKCN-UHFFFAOYSA-N;115.11;0.59;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_N0";;;;;;;0.34;;-1.53;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM411531;MM411531;CC(=O)ON=C(N)CF;CWIBHMVRZLUXLT-UHFFFAOYSA-N;134.11;-0.21;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_P2";;;;;;;-0.24;;-3.24;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM411532;MM411532;C=CC(=O)N(N)C=NN;FZJMYCVZBDJZOE-UHFFFAOYSA-N;128.14;-1.22;;;;;DOPC;MDCG;27;0;"MARTINI bead: P4_N0";;;;;;;-0.88;;-3.74;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM411533;MM411533;C#CC(C#C)C(=N)NC=O;VEAGVPQCBGVELA-UHFFFAOYSA-N;134.14;-0.41;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nd_P2";;;;;;;-0.24;;-3.16;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM411534;MM411534;N#CCN1CCC(C#N)=N1;FVGVXVCDZMTNAU-UHFFFAOYSA-N;134.14;0.1;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP1_SP1";;;;;;;-0.79;;-3.13;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM411535;MM411535;COCCOC(=NO)NO;LVNCMTRFJCWBRM-UHFFFAOYSA-N;150.13;-0.63;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_P3";;;;;;;-1.1;;-4.2;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM411536;MM411536;C#Cc1[nH]cc(NC)c1F;HTQXRDIVCZLNPC-UHFFFAOYSA-N;138.15;1.18;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNd_SNda";;;;;;;0.87;;-1.92;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM411537;MM411537;Cn1nc(NO)cnc1=O;HYZOIGSYCYOFBP-UHFFFAOYSA-N;142.12;-1.02;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP2_SP2";;;;;;;-1.34;;-4.31;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM411538;MM411538;C#CC(C#C)C(=C)OC=C;MUXGVMVLCFLYOA-UHFFFAOYSA-N;132.16;1.54;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_N0";;;;;;;1.94;;0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM411539;MM411539;C=CC1CC2CC2(CF)C1;SKLOQCVTSWNEFR-UHFFFAOYSA-N;140.2;2.56;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC5_SC2";;;;;;;3.6;;0.34;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM411540;MM411540;C#CCC1C=C(C=C)CC1;RMXRYYNZUFLZLC-UHFFFAOYSA-N;132.21;2.53;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC3_SC4";;;;;;;3.9;;0.47;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM411541;MM411541;CCOCOC(=NO)NC;CZWDWVKIHZGANC-UHFFFAOYSA-N;148.16;-0.04;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_P2";;;;;;;-0.24;;-3.24;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM411542;MM411542;C#Cc1[nH]cc(OC)c1C;HJACHDZKWRWEBA-UHFFFAOYSA-N;135.17;1.31;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNa_SNd";;;;;;;0.87;;-1.88;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM411543;MM411543;CC#CC(=NN)OCC;KLIZDLRHPXFDQJ-UHFFFAOYSA-N;126.16;0.32;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_Nda";;;;;;;1.64;;0.05;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM411544;MM411544;C#CC(C#C)C(=C)OC=O;FUEUGBUNTQJQJS-UHFFFAOYSA-N;134.13;0.56;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_N0";;;;;;;1.17;;-1.18;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM411545;MM411545;N#CC1CC2CC2(CF)C1;ORYGNIIXVCSEAX-UHFFFAOYSA-N;139.17;1.9;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC5_SC5";;;;;;;2.41;;0.64;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM411546;MM411546;C#CCC1C=C(C=O)CC1;GEINHKITGXXBLD-UHFFFAOYSA-N;134.18;1.55;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNa_SC4";;;;;;;2.2;;0.34;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM411547;MM411547;C=CC=C(C)C(C)(C)O;AGIVVRKDQYFRMQ-UHFFFAOYSA-N;126.2;1.89;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1_Nda";;;;;;;2.91;;0.57;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM411548;MM411548;C#Cc1[nH]cc(OC)c1N;NKAIJDALQSCLGO-UHFFFAOYSA-N;136.15;0.59;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNa_SNd";;;;;;;0.87;;-1.88;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM411549;MM411549;CC1=NC(=NN)N=C1C;UZSCDDMXQAAAJL-UHFFFAOYSA-N;124.15;0.15;;;;;DOPC;MDCG;27;0;"MARTINI bead: SN0_SP1";;;;;;;0.34;;-1.53;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM411550;MM411550;C=CC1CC2CC2(NC)C1;FEAHAOCYUIGEEZ-UHFFFAOYSA-N;137.23;1.56;;;;;DOPC;MDCG;27;1;"MARTINI bead: SNd_SC2";;;;;;;2.83;;-0.89;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM411551;MM411551;C#CC(C#C)C(=O)OC=C;CGEVVYUVFUZPEP-UHFFFAOYSA-N;134.13;0.56;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_N0";;;;;;;1.17;;-1.18;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM411552;MM411552;C#CCC1C=C(C#N)OC1;RSMVIELRNXCQPQ-UHFFFAOYSA-N;133.15;1.06;;;;;DOPC;MDCG;27;0;"MARTINI bead: SN0_SNa";;;;;;;1.17;;-1.18;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM411553;MM411553;C#Cc1[nH]cc(OC)c1F;PTETUFKPWHZVEO-UHFFFAOYSA-N;139.13;1.14;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNa_SNda";;;;;;;0.87;;-1.99;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM411554;MM411554;C=CCCC(C)(O)C=C;IOPFTACPYBJWDZ-UHFFFAOYSA-N;126.2;1.89;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda_C3";;;;;;;2.57;;0.44;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM411555;MM411555;CCC#CC(=NN)OC;WZEMCZZZAIPGTD-UHFFFAOYSA-N;126.16;0.32;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_P1";;;;;;;0.81;;-0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM411556;MM411556;CNC12CC(C=O)CC1C2;DDECWLORQHRVEQ-UHFFFAOYSA-N;139.2;0.57;;;;;DOPC;MDCG;27;1;"MARTINI bead: SNd_SNa";;;;;;;0.87;;-4.53;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM411557;MM411557;C#CCC1C=C(C=C)CN1;MZNSPWSCPFWXAM-UHFFFAOYSA-N;133.19;1.09;;;;;DOPC;MDCG;27;1;"MARTINI bead: SP1_SNd";;;;;;;0.04;;-5.55;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM411558;MM411558;C#CCC(=C)C(C#C)C#C;HGEIDTQFWWJWND-UHFFFAOYSA-N;128.17;1.45;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_N0";;;;;;;1.94;;0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM411559;MM411559;COC(=NO)OCCCN;GJTKAGNRKNXSGU-UHFFFAOYSA-N;148.16;-0.26;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1_P1";;;;;;;-0.79;;-6.08;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM411560;MM411560;C#Cc1occ(CC)c1C;BIAZUXAVBDBRQM-UHFFFAOYSA-N;134.18;2.13;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC4_SC5";;;;;;;2.97;;0.45;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM411561;MM411561;CC(=O)OC(=NO)C(=O)O;BOHSGYUTOVTTOU-UHFFFAOYSA-N;147.09;-0.58;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_P2";;;;;;;-0.24;;-8.04;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM411562;MM411562;CCC(CC)C(C)C=CF;WNNAVLNKKRPFKW-UHFFFAOYSA-N;144.23;3.54;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1_C3";;;;;;;4.61;;0.31;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM411563;MM411563;COC12CC(C=O)CC1C2;STYFQWMYCNOSFQ-UHFFFAOYSA-N;140.18;1;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC5_SNa";;;;;;;1.64;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM411564;MM411564;C#CCC1C=C(C=O)CN1;VBBMZIFNYQGHAJ-UHFFFAOYSA-N;135.17;0.11;;;;;DOPC;MDCG;27;1;"MARTINI bead: SP1_SNd";;;;;;;0.04;;-4.91;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM411565;MM411565;COC(=NO)OCCCO;LTTYMRACZHTYHI-UHFFFAOYSA-N;149.15;-0.22;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_P1";;;;;;;-0.79;;-3.13;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM411566;MM411566;C#Cc1occ(CN)c1C;WTCLFDTZHLTGME-UHFFFAOYSA-N;135.17;1.03;;;;;DOPC;MDCG;27;1;"MARTINI bead: SNd_SC5";;;;;;;1.64;;-1.14;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM411567;MM411567;O=CC#CC(O)C(=O)O;GMAULJAQWKDSEI-UHFFFAOYSA-N;128.08;-1.37;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_P1";;;;;;;-0.79;;-8.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM411568;MM411568;CCC(CN)C(C)C=CF;JNGYPTUFZSMDSH-UHFFFAOYSA-N;145.22;2.09;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_C3";;;;;;;2.57;;-1.51;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM411569;MM411569;O=CC1CC2(CO)CC2N1;OCGYONVVEIQCHP-UHFFFAOYSA-N;141.17;-0.7;;;;;DOPC;MDCG;27;1;"MARTINI bead: SP2_SP1";;;;;;;-1.06;;-4.86;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM411570;MM411570;C#CCC1C=C(C=C)CO1;IGRJFTPMCJSCES-UHFFFAOYSA-N;134.18;1.52;;;;;DOPC;MDCG;27;0;"MARTINI bead: SN0_SNa";;;;;;;1.17;;-1.18;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM411571;MM411571;CNCCOC(=NN)OC;DRMISZBYWLARAF-UHFFFAOYSA-N;147.18;-0.9;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1_P1";;;;;;;-0.79;;-5.04;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM411572;MM411572;C#Cc1occ(CO)c1C;NVLDTTSVBQGVDI-UHFFFAOYSA-N;136.15;1.06;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNda_SN0";;;;;;;1.17;;-1.13;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM411573;MM411573;C#CC(C)(F)C(=O)NOC;ANPJATFKVKUETN-UHFFFAOYSA-N;145.13;0.03;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_C5";;;;;;;0.54;;-5.81;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM411574;MM411574;C=CC1CC2(CF)CC2N1;ZRJXJAAOSCIZRN-UHFFFAOYSA-N;141.19;1.26;;;;;DOPC;MDCG;27;1;"MARTINI bead: SNa_SNd";;;;;;;0.87;;-4.3;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM411575;MM411575;CC=CC(C)C(CN)CN;MOFPFLROOPZABA-UHFFFAOYSA-N;142.25;0.73;;;;;DOPC;MDCG;27;1;"MARTINI bead: C1_P3";;;;;;;0.94;;-2.49;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM411576;MM411576;C#CCN1C=C(C=O)CC1;GFTWWBIIWXQWEV-UHFFFAOYSA-N;135.17;0.41;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP2_SNd";;;;;;;-0.24;;-3.16;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM411577;MM411577;C#Cc1occ(CF)c1C;YVQIJWBKCRBLIC-UHFFFAOYSA-N;138.14;2.04;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC5_SN0";;;;;;;1.94;;0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM411578;MM411578;C=CCCCC(=CC)CC;GFDIPZYKPMOUJP-UHFFFAOYSA-N;138.25;3.7;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1_C3";;;;;;;4.61;;0.31;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM411579;MM411579;CC(CC(O)C#N)C(=O)O;GQDMLERGUYMNHK-UHFFFAOYSA-N;143.14;-0.02;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_Nda";;;;;;;-0.24;;-8.04;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM411580;MM411580;CNC12CC(C=O)NC1C2;GUVCDYODUKUVBL-UHFFFAOYSA-N;140.19;-0.72;;;;;DOPC;MDCG;27;1;"MARTINI bead: SP2_SP1";;;;;;;-1.06;;-5.43;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM411581;MM411581;CC=CC(C)C(CN)CF;BDAWTZPISBJEGM-UHFFFAOYSA-N;145.22;1.74;;;;;DOPC;MDCG;27;1;"MARTINI bead: C1_P1";;;;;;;2.08;;-1.1;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM411582;MM411582;C#CCN1C=C(C#N)CC1;FLNOSUPDYFVKBA-UHFFFAOYSA-N;132.17;0.73;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNd_SP1";;;;;;;0.04;;-2.63;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM411583;MM411583;N=Cn1nnc(F)c1O;AHBHXRSVLYKAPC-UHFFFAOYSA-N;130.08;-0.42;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP1_SP2";;;;;;;-1.06;;-8.58;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM411584;MM411584;C#Cc1occ(CC)c1N;OPQGWIUWXAIXGL-UHFFFAOYSA-N;135.17;1.41;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC4_SNd";;;;;;;2.2;;0.32;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM411585;MM411585;CC=C(CC)CCCC=O;KHWYOKJXFWTCSQ-UHFFFAOYSA-N;140.23;2.71;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1_Na";;;;;;;2.91;;0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM411586;MM411586;C=CC1CC2(OC)CC2N1;ALDDWCYCRZOXRW-UHFFFAOYSA-N;139.2;0.69;;;;;DOPC;MDCG;27;1;"MARTINI bead: SP1_SNd";;;;;;;0.04;;-4.67;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM411587;MM411587;CCC(CC)C(N)C=CF;NFXBMHPZGUKBQL-UHFFFAOYSA-N;145.22;2.23;;;;;DOPC;MDCG;27;1;"MARTINI bead: C1_P1";;;;;;;2.08;;-0.82;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM411588;MM411588;O=C(O)C(C=NO)C(=O)O;WWNKTTPUMVIOQZ-UHFFFAOYSA-N;147.09;-0.77;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_P2";;;;;;;-1.06;;-8.58;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM411589;MM411589;C#CCN1CCC(C=C)=N1;ORAJYMUGCFRVOG-UHFFFAOYSA-N;134.18;0.87;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP1_SP1";;;;;;;-0.79;;-3.13;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM411590;MM411590;C#Cc1occ(CF)c1N;NNMCGYMGVROUJK-UHFFFAOYSA-N;139.13;1.31;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC5_SNd";;;;;;;1.64;;0.02;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM411591;MM411591;CC=C(CC)CCCC#N;CJZHSFKFDLUCCL-UHFFFAOYSA-N;137.23;3.04;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1_P1";;;;;;;2.08;;0.48;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM411592;MM411592;C=CC1CC2(CC)CC2O1;OOZAORFNRFTKQA-UHFFFAOYSA-N;138.21;2.13;;;;;DOPC;MDCG;27;0;"MARTINI bead: SN0_SNa";;;;;;;1.17;;-1.18;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM411593;MM411593;C#Cc1occ(CC)c1F;GHCJBBRAEIUUFV-UHFFFAOYSA-N;138.14;1.96;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC4_SC5";;;;;;;2.97;;0.45;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM411594;MM411594;CC=CC(N)C(CC)CN;GJSPYRDBPXDPBH-UHFFFAOYSA-N;142.25;0.87;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_Nd";;;;;;;0.87;;-4.76;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM411595;MM411595;C#CCN1CCC(C=O)=N1;JHNJXXSZSUYJGT-UHFFFAOYSA-N;136.15;-0.12;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP1_SP1";;;;;;;-0.79;;-3.13;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM411596;MM411596;Cn1oc(=NN)ccc1=N;RIWSOEUXXZMHLE-UHFFFAOYSA-N;140.15;-1.13;;;;;DOPC;MDCG;27;1;"MARTINI bead: SP1_SP1";;;;;;;-0.79;;-4.56;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM411597;MM411597;CCC(=CF)CCCC#N;KSEYFNKCIZSXIW-UHFFFAOYSA-N;141.19;2.94;;;;;DOPC;MDCG;27;0;"MARTINI bead: C2_P1";;;;;;;2;;0.29;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM411598;MM411598;C=CC1CC2(CN)CC2O1;MXMBKUBNXBXUQG-UHFFFAOYSA-N;139.2;0.68;;;;;DOPC;MDCG;27;1;"MARTINI bead: SP1_SNa";;;;;;;0.04;;-4.95;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM411599;MM411599;C#Cc1occ(NC)c1C;ABYMNMATKUNUIY-UHFFFAOYSA-N;135.17;1.61;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNd_SC5";;;;;;;1.64;;0.02;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM411601;MM411601;CC=CC(N)C(CC)CF;DWWWXUBFGAACJQ-UHFFFAOYSA-N;145.22;1.89;;;;;DOPC;MDCG;27;1;"MARTINI bead: C4_Nd";;;;;;;2.2;;-1.86;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM411600;MM411600;C#CCN1CCC(C#N)=N1;PXIBQBFMUQPYNP-UHFFFAOYSA-N;133.15;0.2;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP1_SP1";;;;;;;-0.79;;-3.13;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM411602;MM411602;C=CCCCC(=CF)CN;KIMQAAAWURPRJB-UHFFFAOYSA-N;143.21;2.15;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1_C3";;;;;;;1.74;;-1.5;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM411603;MM411603;CCC1=NC(=NN)N=C1;UPOVAPLRZMLPAE-UHFFFAOYSA-N;124.15;0.15;;;;;DOPC;MDCG;27;0;"MARTINI bead: SN0_SP1";;;;;;;0.34;;-1.53;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM411604;MM411604;C=CC1CC2(NC)CC2O1;DAMQHFJAYXKHOG-UHFFFAOYSA-N;139.2;0.69;;;;;DOPC;MDCG;27;1;"MARTINI bead: SP1_SNa";;;;;;;0.04;;-4.45;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM411605;MM411605;C#Cc1occ(NC)c1N;ICDRDNHRSWATAT-UHFFFAOYSA-N;136.15;0.88;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNd_SNd";;;;;;;0.87;;-2.11;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM411606;MM411606;C#CC1=CC(CCC)CC1;JWOLSMFUJMEVCG-UHFFFAOYSA-N;134.22;2.76;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC1_SC5";;;;;;;3.68;;0.46;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM411607;MM411607;C=CC=CC(C)(O)CC;QJEHKHOIIHRCNI-UHFFFAOYSA-N;126.2;1.89;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda_C4";;;;;;;2.2;;0.49;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM411608;MM411608;CCC(CF)C(N)C=CF;YRIVEZMOPJRQKY-UHFFFAOYSA-N;149.18;1.79;;;;;DOPC;MDCG;27;1;"MARTINI bead: C4_P1";;;;;;;1.37;;-2.29;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM411609;MM411609;O=CCC1NC1C(=O)O;VDYDTEBPQATZBX-UHFFFAOYSA-N;129.12;-1;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_SP1";;;;;;;-0.79;;-8.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM411610;MM411610;C#Cc1occ(NC)c1F;OGCZVAATUSGBKY-UHFFFAOYSA-N;139.13;1.44;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNd_SC5";;;;;;;1.64;;0.02;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM411611;MM411611;CC=CC(N)C(CN)CF;GVLGBBJIYFMKMD-UHFFFAOYSA-N;146.21;0.43;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nda_P2";;;;;;;-0.24;;-5.86;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM411612;MM411612;C=CC1CC2CC2(CC)N1;GBPIUMKOLKAUQV-UHFFFAOYSA-N;137.23;1.7;;;;;DOPC;MDCG;27;1;"MARTINI bead: SNd_SN0";;;;;;;1.17;;-4.22;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM411613;MM411613;C#CC1=CC(CCN)CO1;GMFJZKLLCAHXHE-UHFFFAOYSA-N;137.18;0.5;;;;;DOPC;MDCG;27;1;"MARTINI bead: SP1_SNa";;;;;;;0.04;;-5.31;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM411614;MM411614;CN1C2CC(=O)CC21C;IKMNJIZUGRRCRA-UHFFFAOYSA-N;125.17;0.42;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNa_SNd";;;;;;;0.87;;-1.88;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM411615;MM411615;CC(C#N)(C=O)CC(=O)O;NHWOUEJRHBXCKI-UHFFFAOYSA-N;141.13;0.19;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda_P2";;;;;;;-0.24;;-8.05;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM411616;MM411616;C#Cc1occ(OC)c1C;BJXSVTVTQWGTLK-UHFFFAOYSA-N;136.15;1.58;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNa_SC5";;;;;;;1.64;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM411617;MM411617;C=CC1CC2CC2(CN)N1;FFNFYLHSAVEYAC-UHFFFAOYSA-N;138.21;0.25;;;;;DOPC;MDCG;27;1;"MARTINI bead: SP2_SN0";;;;;;;0.06;;-4.89;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM411618;MM411618;NCC(CF)C(N)C=CF;YYNWUNJYFIARBA-UHFFFAOYSA-N;150.17;0.34;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1_P1";;;;;;;-0.79;;-5.67;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM411619;MM411619;C#CC1=CC(NCC)CO1;LMGIYXFZRLLALX-UHFFFAOYSA-N;137.18;0.51;;;;;DOPC;MDCG;27;1;"MARTINI bead: SNd_SNa";;;;;;;0.87;;-3.29;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM411620;MM411620;CCC1(C)CC=CC1O;VUIVMDVHKMBDFJ-UHFFFAOYSA-N;126.2;1.72;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC1_SNda";;;;;;;2.91;;0.57;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM411621;MM411621;CN=c1ncc(=N)n(C)o1;VBIVHXQEHRCUGU-UHFFFAOYSA-N;140.15;-0.98;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP3_SP1";;;;;;;-1.93;;-4.72;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM411622;MM411622;C=CC1CC2CC2(CO)N1;IHVVTTYFXJPWIV-UHFFFAOYSA-N;139.2;0.29;;;;;DOPC;MDCG;27;1;"MARTINI bead: SP2_SN0";;;;;;;0.06;;-4.64;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM411623;MM411623;C#Cc1occ(OC)c1N;BGRGOQROSZXRBN-UHFFFAOYSA-N;137.14;0.85;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNa_SNd";;;;;;;0.87;;-1.88;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM411624;MM411624;OC(C=CF)C(CF)CF;FYNFFQQWUBXCRI-UHFFFAOYSA-N;154.13;1.39;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_P1";;;;;;;0.81;;-0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM411625;MM411625;C=CCCCC(=CF)CO;QJYKZEOPYBDEOR-UHFFFAOYSA-N;144.19;2.19;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda_C3";;;;;;;2.57;;0.44;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM411626;MM411626;C#CC1=CC(CCN)NC1;SPBQBNODAPTHRZ-UHFFFAOYSA-N;136.2;-0.13;;;;;DOPC;MDCG;27;1;"MARTINI bead: SP1_SP1";;;;;;;-0.79;;-5.89;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM411627;MM411627;NN=C1N=CC(CF)=N1;YKDVODMBSUFWKC-UHFFFAOYSA-N;128.11;-0.29;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP1_SNa";;;;;;;0.04;;-2.54;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM411629;MM411629;O=CC1CC2CC2(CO)N1;RLUXPBMHMLRKRM-UHFFFAOYSA-N;141.17;-0.7;;;;;DOPC;MDCG;27;1;"MARTINI bead: SP2_SP1";;;;;;;-1.06;;-5.01;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM411628;MM411628;NCC(CN)C(F)C=CF;VYVQBTJFAHFKRH-UHFFFAOYSA-N;150.17;0.34;;;;;DOPC;MDCG;27;1;"MARTINI bead: P3_C5";;;;;;;-0.33;;-4.64;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM411630;MM411630;CC=CC1NC1C=O;YPNBKCJQJXDDAH-UHFFFAOYSA-N;111.14;0.1;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4_SP2";;;;;;;1.09;;-0.38;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM411631;MM411631;O=CCCCC(=CF)CO;AXDBMNVNPBLPBA-UHFFFAOYSA-N;146.16;1.2;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda_Na";;;;;;;0.87;;-1.99;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM411632;MM411632;C#CC1=NN(CCC)CC1;ZZWADKLSPLEKPF-UHFFFAOYSA-N;136.2;1.09;;;;;DOPC;MDCG;27;0;"MARTINI bead: SN0_SP1";;;;;;;0.34;;-1.53;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM411633;MM411633;CN=c1ncc(=O)n(C)o1;VYTQTHJWMRZDLN-UHFFFAOYSA-N;141.13;-1.1;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP3_SP2";;;;;;;-2.2;;-5.19;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM411634;MM411634;CC=CC(F)C(CN)CF;YWWXEPAXZLMZPG-UHFFFAOYSA-N;149.18;1.45;;;;;DOPC;MDCG;27;1;"MARTINI bead: C4_P1";;;;;;;1.37;;-2.58;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM411635;MM411635;C#Cc1n[nH]c(CN)c1C;BWIBJGFAEFVRJC-UHFFFAOYSA-N;135.17;0.16;;;;;DOPC;MDCG;27;1;"MARTINI bead: SP2_SNda";;;;;;;-0.24;;-4.45;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM411636;MM411636;C=CCCCC(=CC)CF;YZJBMQFWEUMUND-UHFFFAOYSA-N;142.22;3.26;;;;;DOPC;MDCG;27;0;"MARTINI bead: C3_C3";;;;;;;4.27;;0.2;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM411637;MM411637;C#CC(=O)N(N)C=NN;CFWODPJWQVDUPZ-UHFFFAOYSA-N;126.12;-1.78;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_P2";;;;;;;-1.06;;-3.82;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM411638;MM411638;C#CC1=CC(CC=C)CC1;QQCKXNFGAHJUSN-UHFFFAOYSA-N;132.21;2.53;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC1_SC5";;;;;;;3.68;;0.46;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM411639;MM411639;CN=c1ncc(=N)n(N)o1;XCQFXGRLLMBWHH-UHFFFAOYSA-N;141.13;-1.8;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP3_SP2";;;;;;;-2.2;;-5.19;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM411640;MM411640;NCC(CF)C(F)C=CF;WUDNHDDNCFMZSL-UHFFFAOYSA-N;153.15;1.35;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1_C5";;;;;;;0.81;;-3.12;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM411641;MM411641;C=CC1CC2CC2(CC)O1;FUJRQNGQYQEJSR-UHFFFAOYSA-N;138.21;2.13;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNa_SN0";;;;;;;1.17;;-1.18;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM411642;MM411642;CN1CC2NC2C1=O;VDDSGGFOHDARNS-UHFFFAOYSA-N;112.13;-1.2;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP1_SP2";;;;;;;-1.06;;-3.82;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM411643;MM411643;CC=C(CC)CCNC=N;TVYCQQQCQHWIKA-UHFFFAOYSA-N;140.23;1.93;;;;;DOPC;MDCG;27;1;"MARTINI bead: C1_P3";;;;;;;0.94;;-3.85;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM411644;MM411644;C#CC1=CC(CC#N)CC1;AFMGDBHKEUXYRQ-UHFFFAOYSA-N;131.18;1.87;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC5_SC5";;;;;;;2.41;;0.64;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM411645;MM411645;CN=c1ncc(=O)n(N)o1;AMBFRUOESRWJGW-UHFFFAOYSA-N;142.12;-1.92;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP3_SP2";;;;;;;-2.2;;-5.19;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM411646;MM411646;CCC(CC)C(C)C=NO;LCHNZZXZJAXLNB-UHFFFAOYSA-N;143.23;2.52;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1_Nda";;;;;;;2.91;;0.57;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM411647;MM411647;CC(C)(O)C1CC1(C)C;DJNMQFQIZBVZOM-UHFFFAOYSA-N;128.22;1.8;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda_SC4";;;;;;;2.2;;0.49;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM411648;MM411648;C=CC1CC2CC2(CO)O1;ANJYNDNFBYZPDB-UHFFFAOYSA-N;140.18;0.71;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP2_SN0";;;;;;;0.06;;-2.21;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM411649;MM411649;CCC(=CF)CCNC=N;GCCQHCMGQZWEMF-UHFFFAOYSA-N;144.19;1.84;;;;;DOPC;MDCG;27;1;"MARTINI bead: C2_P3";;;;;;;0.86;;-4.19;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM411650;MM411650;C#CC1=CC(CC#N)CO1;RPDVXEPAPZOUSR-UHFFFAOYSA-N;133.15;1.06;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNa_SN0";;;;;;;1.17;;-1.18;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM411651;MM411651;COC1=NC(=NN)N=C1;ALRKNPYGQIUSMP-UHFFFAOYSA-N;126.12;-0.65;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNa_SP1";;;;;;;0.04;;-2.54;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM411652;MM411652;CCC(CN)C(C)C=NO;MIKLOLXNQLKATR-UHFFFAOYSA-N;144.22;1.07;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_Nda";;;;;;;0.87;;-4.51;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM411653;MM411653;CC1(C)CCC(C)(O)C1;WSJHVFRHJYXQCP-UHFFFAOYSA-N;128.22;1.95;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC2_SNda";;;;;;;2.83;;0.57;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM411654;MM411654;O=CC1CC2CC2(CO)O1;OWSPGTSFQATJQR-UHFFFAOYSA-N;142.15;-0.27;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP2_SP1";;;;;;;-1.06;;-3.82;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM411655;MM411655;C=CN=C(C=O)NN=C;UBPFEDHXUYITGM-UHFFFAOYSA-N;125.13;-0.07;;;;;DOPC;MDCG;27;0;"MARTINI bead: N0_P1";;;;;;;0.34;;-1.53;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM411656;MM411656;C=CC1=NC(=NN)N=C1;QWSVIQOOJGTYTC-UHFFFAOYSA-N;122.13;-0.07;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP1_SN0";;;;;;;0.34;;-1.53;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM411657;MM411657;CC(C=NO)C(CO)CF;LMEZMFDQLAWISO-UHFFFAOYSA-N;149.17;0.66;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda_P1";;;;;;;0.04;;-2.73;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM411658;MM411658;C#CC1=CC(OC=C)CO1;STSUQCCTMYBKBA-UHFFFAOYSA-N;136.15;1.06;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNa_SNa";;;;;;;0.87;;-2.22;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM411659;MM411659;N#CC1CC2CC2(CO)O1;UZZASGXOIMSLKD-UHFFFAOYSA-N;139.15;0.05;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP2_SP1";;;;;;;-1.06;;-3.82;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM411660;MM411660;CC1C(C)C1C(C)(C)O;GICZOUMIMBDSKF-UHFFFAOYSA-N;128.22;1.66;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC5_Nda";;;;;;;1.64;;0.05;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM411661;MM411661;CC=C(CN)CCNC=N;MJSKHGWFURCPIH-UHFFFAOYSA-N;141.22;0.48;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_P2";;;;;;;-0.24;;-7.5;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM411662;MM411662;C#CC1=NC(=NN)N=C1;NPMKQRHXJDYVEW-UHFFFAOYSA-N;120.12;-0.63;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP1_SP1";;;;;;;-0.79;;-3.13;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM411663;MM411663;CC(C=NN)C(CF)CF;SUJQIHZMALBCBU-UHFFFAOYSA-N;150.17;1.12;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nd_Na";;;;;;;0.87;;-1.88;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM411664;MM411664;C#CC1=CC(CC#N)OC1;YYWQCTPXBKTEBJ-UHFFFAOYSA-N;133.15;0.86;;;;;DOPC;MDCG;27;0;"MARTINI bead: SN0_SNa";;;;;;;1.17;;-1.18;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM411665;MM411665;C=CC1CC2CC2(CF)O1;KLVSUCQGRUVKKM-UHFFFAOYSA-N;142.17;1.69;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP1_SN0";;;;;;;0.34;;-1.53;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM411666;MM411666;CC=C(CN)CCNC=O;MJIBXDMSTIFMQR-UHFFFAOYSA-N;142.2;0.03;;;;;DOPC;MDCG;27;1;"MARTINI bead: C5_P3";;;;;;;-0.33;;-3.93;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM411667;MM411667;C#Cc1[nH]nc(CO)c1F;ZGUIFPWROMOAJS-UHFFFAOYSA-N;140.12;0.02;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP1_SNda";;;;;;;0.04;;-2.73;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM411668;MM411668;O=c1nc(O)nc(O)n1O;YDBAEPPQEPBYQJ-UHFFFAOYSA-N;145.07;-1.71;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP1_SP3";;;;;;;-1.93;;-8.98;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM411669;MM411669;CC(C=NO)C(CF)CF;OTVPGHKYPDZHPL-UHFFFAOYSA-N;151.16;1.64;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda_Na";;;;;;;0.87;;-1.99;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM411670;MM411670;C#CC1=NN(CC=C)CC1;CFNUKNXBKXQYKX-UHFFFAOYSA-N;134.18;0.87;;;;;DOPC;MDCG;27;0;"MARTINI bead: SN0_SP1";;;;;;;0.34;;-1.53;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM411671;MM411671;CC1CC(C)(O)CC1C;LCBYBUZITFRHLW-UHFFFAOYSA-N;128.22;1.8;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC2_SNda";;;;;;;2.83;;0.57;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM411672;MM411672;O=CC1CC2CC2(CF)O1;GVDRUNSQCQESDT-UHFFFAOYSA-N;144.15;0.7;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP1_SP1";;;;;;;-0.79;;-3.13;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM411673;MM411673;N=CNCCC(=CF)CO;FLYWYYDNWKPEPT-UHFFFAOYSA-N;146.17;0.42;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nda_P3";;;;;;;-1.1;;-7.89;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM411674;MM411674;O=c1oc(O)c(O)n1O;PBVVLFXMFIWTBZ-UHFFFAOYSA-N;133.06;-0.91;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP1_SP2";;;;;;;-1.06;;-8.58;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM411675;MM411675;CCC(CC)C(N)C=NO;LCADKYXTOSHRRT-UHFFFAOYSA-N;144.22;1.21;;;;;DOPC;MDCG;27;1;"MARTINI bead: C1_P3";;;;;;;0.94;;-2.62;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM411676;MM411676;C#CC1=NN(CC#N)CC1;GGCZBKKTOCONFW-UHFFFAOYSA-N;133.15;0.2;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP1_SP1";;;;;;;-0.79;;-3.13;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM411677;MM411677;C=CC1CC2CC2(OC)O1;QJGXUGBOHSPFSX-UHFFFAOYSA-N;140.18;1.32;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNa_SNa";;;;;;;0.87;;-2.22;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM411678;MM411678;CC=NN=CNC(C)C;NDOSDJJSMDHTLC-UHFFFAOYSA-N;127.19;1.02;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_Nd";;;;;;;1.64;;0.02;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM411679;MM411679;CC=C(CF)CCNC=N;NRFKWVFNPQGSGG-UHFFFAOYSA-N;144.19;1.49;;;;;DOPC;MDCG;27;1;"MARTINI bead: C3_P3";;;;;;;0.6;;-4.76;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM411680;MM411680;N#CC1=CC(=CO)N=N1;JJVMXRVGKAVWSC-UHFFFAOYSA-N;121.1;1.26;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNda_SN0";;;;;;;1.17;;-6.08;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM411681;MM411681;CCC(CN)C(N)C=NO;GHRBTFHRMCCXPD-UHFFFAOYSA-N;145.21;-0.24;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_P3";;;;;;;-1.1;;-6.7;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM411682;MM411682;C#CCN1CCC(C#C)=N1;BRNLNIOOSNFQMA-UHFFFAOYSA-N;132.17;0.31;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP1_SP1";;;;;;;-0.79;;-3.13;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM411683;MM411683;C#Cc1onc(CC)c1C;JEIFLQJKHVZCPV-UHFFFAOYSA-N;135.17;1.53;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC5_SN0";;;;;;;1.94;;0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM411684;MM411684;C=NNCCC(=CC)CC;NQHLFASWQNSCSP-UHFFFAOYSA-N;140.23;1.94;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1_P2";;;;;;;1.8;;0.41;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM411685;MM411685;COC12CC1CC(C=O)O2;ZUAKYWYHFVEWTD-UHFFFAOYSA-N;142.15;0.34;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNa_SP1";;;;;;;0.04;;-2.54;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM411686;MM411686;CN=c1nnc(=N)n(N)o1;BPCJONOQCLWIHF-UHFFFAOYSA-N;142.12;-2.41;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP3_SP2";;;;;;;-2.2;;-5.19;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM411687;MM411687;CC=CC1C=C(CN)CC1;GOVURXPCNHZDED-UHFFFAOYSA-N;137.23;1.86;;;;;DOPC;MDCG;27;1;"MARTINI bead: SC2_SNd";;;;;;;2.83;;-0.24;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM411688;MM411688;NCC(CO)C(N)C=NO;YHWVWKCEBCIBRB-UHFFFAOYSA-N;147.18;-1.66;;;;;DOPC;MDCG;27;1;"MARTINI bead: P2_P3";;;;;;;-2.2;;-7.59;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM411689;MM411689;C#Cc1onc(CO)c1C;ABNBNMAQHAVTJH-UHFFFAOYSA-N;137.14;0.46;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNda_SN0";;;;;;;1.17;;-1.13;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM411690;MM411690;COC12CC1CC(C#N)O2;IWAFNPDEQKLCMJ-UHFFFAOYSA-N;139.15;0.66;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP1_SP1";;;;;;;-0.79;;-3.13;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM411691;MM411691;CC1=C(C)C(O)C(C)C1;ABFLWNMVXMOYJV-UHFFFAOYSA-N;126.2;1.72;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC3_SNda";;;;;;;2.57;;0.44;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM411692;MM411692;C#CC(=NN)OC1CC1;SMRSVZXLBMYHCV-UHFFFAOYSA-N;124.14;0.07;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_SC5";;;;;;;0.54;;-1.09;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM411693;MM411693;CNN=CCOC=NNC;RUVNFAZYEARHNP-UHFFFAOYSA-N;144.18;-0.63;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nd_P2";;;;;;;-0.24;;-3.16;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM411694;MM411694;CC(C)(C)OCOC=NN;WIQGIVGEUPCKCR-UHFFFAOYSA-N;146.19;0.68;;;;;DOPC;MDCG;27;0;"MARTINI bead: C3_P3";;;;;;;0.6;;-0.8;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM411695;MM411695;C=NNCCC(=CF)CF;YAJHALMJXJEKLE-UHFFFAOYSA-N;148.16;1.4;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_P2";;;;;;;0.54;;-1.09;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM411696;MM411696;CC(C#N)ON=CCF;SHZCCOAWLNZUQR-UHFFFAOYSA-N;130.12;0.87;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_Na";;;;;;;0.87;;-2.22;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM411697;MM411697;C=CC1OC2CC2(CC)O1;AZHFVRUDVXROOJ-UHFFFAOYSA-N;140.18;1.47;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNa_SNa";;;;;;;0.87;;-2.22;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM411698;MM411698;C=CC(=O)C1NC1C=C;XEVRSCRYHHFIKR-UHFFFAOYSA-N;123.16;0.27;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP1_Na";;;;;;;0.04;;-2.54;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM411699;MM411699;CCC(CC)C(F)C=NN;MBLZOJUQBQEWCF-UHFFFAOYSA-N;146.21;1.71;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1_P1";;;;;;;2.08;;0.48;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM411700;MM411700;CC=CC1C=C(OC)CC1;RNMLXUDILMHJDK-UHFFFAOYSA-N;138.21;2.5;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC5_SC2";;;;;;;3.6;;0.34;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM411701;MM411701;C=COCCC(=CC)CC;VFADHQYUAPGNRO-UHFFFAOYSA-N;140.23;2.89;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1_Na";;;;;;;2.91;;0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM411702;MM411702;C#Cc1onc(CO)c1N;PCLLAQYOCVHIDS-UHFFFAOYSA-N;138.13;-0.27;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNda_SNd";;;;;;;0.87;;-1.92;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM411703;MM411703;CCC12CC1CN(C=N)C2;XSIMUFUALUTXPT-UHFFFAOYSA-N;138.21;1.33;;;;;DOPC;MDCG;27;1;"MARTINI bead: SC3_SP1";;;;;;;1.74;;-3.34;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM411704;MM411704;C=CC=NNC=CC#N;WCYDGZGMMKTRNA-UHFFFAOYSA-N;121.14;0.79;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nd_N0";;;;;;;1.17;;-1.04;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM411705;MM411705;CC=CC(C)C(CC)NC;LKVJBKLOCRMRGO-UHFFFAOYSA-N;141.26;2.2;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_C1";;;;;;;2.91;;-1.12;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM411706;MM411706;CC=CC1C=C(CC)OC1;BRVMPWUNTCDMQF-UHFFFAOYSA-N;138.21;2.5;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC5_SC5";;;;;;;2.41;;0.64;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM411707;MM411707;CC=C(CC)CCOC=O;QYPALAWAONCODS-UHFFFAOYSA-N;142.2;1.91;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1_P1";;;;;;;2.08;;0.48;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM411708;MM411708;Nc1on(N)c(=O)c1F;NPYCCSARZLHKCL-UHFFFAOYSA-N;133.08;-1.12;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP2_SNda";;;;;;;-0.24;;-3.31;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM411709;MM411709;CCC12CC1CN(C=O)C2;MHSYCVITKJNVFI-UHFFFAOYSA-N;139.2;0.87;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC3_SP1";;;;;;;1.74;;0.29;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM411710;MM411710;N#CC(O)C=CCC(=O)O;PFQKLNKNNVKGEI-UHFFFAOYSA-N;141.13;-0.1;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_Nda";;;;;;;-0.24;;-8.05;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM411711;MM411711;CC=CC1C=C(CO)OC1;FWMSQCNLGSJOTM-UHFFFAOYSA-N;140.18;1.09;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC5_SP1";;;;;;;0.81;;-0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM411712;MM411712;CCC(NC)C(C)C=CF;IWVQHQUGGJIFIB-UHFFFAOYSA-N;145.22;2.1;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_C3";;;;;;;2.57;;-2.09;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM411713;MM411713;C#Cc1onc(CC)c1F;HCNOKVBVIXKZAF-UHFFFAOYSA-N;139.13;1.36;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC5_SNa";;;;;;;1.64;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM411714;MM411714;CCC(=CF)CCOC=O;IVMIFUQTCKVROP-UHFFFAOYSA-N;146.16;1.81;;;;;DOPC;MDCG;27;0;"MARTINI bead: C2_P1";;;;;;;2;;0.29;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM411715;MM411715;N=CN1CC2CC2(CN)C1;SERPCMWAKKQFRA-UHFFFAOYSA-N;139.2;-0.13;;;;;DOPC;MDCG;27;1;"MARTINI bead: SNd_SP1";;;;;;;0.04;;-6.65;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM411716;MM411716;NC(=O)NN=C(N)C(=O)O;LZSRSKRKKXMIRA-UHFFFAOYSA-N;146.11;-1.99;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_P1";;;;;;;-1.06;;-8.58;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM411717;MM411717;CC=CC1C=C(CN)CN1;RCJWCZZJKKGANT-UHFFFAOYSA-N;138.21;0.42;;;;;DOPC;MDCG;27;1;"MARTINI bead: SNd_SP2";;;;;;;-0.24;;-5.64;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM411718;MM411718;CC=CC(C)C(CN)NC;DOKDUAMXNGTMIJ-UHFFFAOYSA-N;142.25;0.75;;;;;DOPC;MDCG;27;1;"MARTINI bead: P3_C1";;;;;;;0.94;;-2.59;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM411719;MM411719;C=COCCC(=CC)CN;HPMWZRLVORNZCV-UHFFFAOYSA-N;141.21;1.44;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_Na";;;;;;;0.87;;-4.13;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM411720;MM411720;C#Cc1onc(OC)c1C;PEQPVIDEGPPISM-UHFFFAOYSA-N;137.14;0.97;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNa_SN0";;;;;;;1.17;;-1.18;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM411721;MM411721;NCC12CC1CN(C=O)C2;CTGUHCMSXMPDIN-UHFFFAOYSA-N;140.19;-0.58;;;;;DOPC;MDCG;27;1;"MARTINI bead: SNd_SP1";;;;;;;0.04;;-4.69;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM411722;MM411722;N=c1nc(N)on1C(=O)O;PDMDLVLHMKLWMX-UHFFFAOYSA-N;144.09;-0.94;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP1_SP2";;;;;;;-1.06;;-8.58;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM411723;MM411723;CC=CC(O)C(CO)NC;ZZHJXHQMMYMIQN-UHFFFAOYSA-N;145.2;-0.5;;;;;DOPC;MDCG;27;1;"MARTINI bead: P2_Nda";;;;;;;-0.24;;-5.22;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM411724;MM411724;NCC(=CF)CCOC=O;HHZPRTUHCXNIIM-UHFFFAOYSA-N;147.15;0.36;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1_P1";;;;;;;-0.79;;-5.3;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM411725;MM411725;CC=CC1C=C(CO)CN1;DYADKAJHJQSDSN-UHFFFAOYSA-N;139.2;0.45;;;;;DOPC;MDCG;27;1;"MARTINI bead: SNd_SP2";;;;;;;-0.24;;-5.36;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM411726;MM411726;C#Cc1onc(OC)c1N;ZZFCPUQYOCHZHW-UHFFFAOYSA-N;138.13;0.25;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNa_SNd";;;;;;;0.87;;-1.88;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM411727;MM411727;N=CN1CC2CC2(CO)C1;NWRVKMQAGOOYRI-UHFFFAOYSA-N;140.19;-0.09;;;;;DOPC;MDCG;27;1;"MARTINI bead: SNda_SP1";;;;;;;0.04;;-6.68;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM411728;MM411728;CC=C1C=CC(C)C(=O)C1;ADOUZBRPDOMKMI-UHFFFAOYSA-N;136.19;2.1;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC2_SNa";;;;;;;2.83;;0.35;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM411729;MM411729;C=COCCC(=CC)CO;JGKPSEVLQJZWCI-UHFFFAOYSA-N;142.2;1.48;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_Na";;;;;;;1.64;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM411730;MM411730;CC=CC(F)C(CN)NC;VFGDESGVJJNASI-UHFFFAOYSA-N;146.21;0.45;;;;;DOPC;MDCG;27;1;"MARTINI bead: P3_C4";;;;;;;0.23;;-2.97;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM411731;MM411731;C=CC1=CCC(CC)=C1C;XZTPZUHFLOGONC-UHFFFAOYSA-N;134.22;3.23;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC1_SC4";;;;;;;4.24;;0.42;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM411732;MM411732;CC=CC1C=C(CF)CN1;WTTDJKDCRBWGFG-UHFFFAOYSA-N;141.19;1.43;;;;;DOPC;MDCG;27;1;"MARTINI bead: SNd_SNa";;;;;;;0.87;;-4.22;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM411733;MM411733;O=CN1CC2CC2(CO)C1;BRQZKIPTIVVJRD-UHFFFAOYSA-N;141.17;-0.54;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNda_SP1";;;;;;;0.04;;-2.73;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM411734;MM411734;C=C1CC(=NO)C=CC1O;YAWMUIHAOJQQKQ-UHFFFAOYSA-N;139.15;0.69;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNda_SNda";;;;;;;0.87;;-2.07;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM411735;MM411735;CNC(CN)C(F)C=CF;HZRZPVVOOLQUNL-UHFFFAOYSA-N;150.17;0.35;;;;;DOPC;MDCG;27;1;"MARTINI bead: P3_C5";;;;;;;-0.33;;-3.95;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM411736;MM411736;C=CC1=CCC(CN)=C1C;PAWWIRHOZKPSEP-UHFFFAOYSA-N;135.21;1.78;;;;;DOPC;MDCG;27;1;"MARTINI bead: SNd_SC4";;;;;;;2.2;;-1.64;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM411737;MM411737;CC=C(CO)CCOC=O;RXBLNBZCYCZPJM-UHFFFAOYSA-N;144.17;0.49;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_P1";;;;;;;0.81;;-0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM411738;MM411738;CC=CC1C=C(OC)CN1;ZDUDTPAIEOILEW-UHFFFAOYSA-N;139.2;1.06;;;;;DOPC;MDCG;27;1;"MARTINI bead: SP1_SNd";;;;;;;0.04;;-4.35;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM411739;MM411739;O=CN1CC2CC2(CF)C1;NKWGRGUZOIBKHS-UHFFFAOYSA-N;143.16;0.43;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC5_SP1";;;;;;;0.81;;-0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM411740;MM411740;CC=C1C=CC(C)C(=N)N1;BLGYUZOUHDNKEZ-UHFFFAOYSA-N;136.2;1.66;;;;;DOPC;MDCG;27;1;"MARTINI bead: SC5_SNd";;;;;;;1.64;;-3.57;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM411741;MM411741;CCC(NC)C(C)C=NN;IKVDQBPNQPXLKB-UHFFFAOYSA-N;143.23;0.57;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_Nd";;;;;;;0.87;;-5.03;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM411742;MM411742;C=CC1=CCC(CF)=C1C;RTXSUELPJIEZNR-UHFFFAOYSA-N;138.19;2.79;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC4_SC4";;;;;;;3.53;;0.53;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM411743;MM411743;CC=C(CF)CCOC=O;HYBALPQFGHFQQB-UHFFFAOYSA-N;146.16;1.47;;;;;DOPC;MDCG;27;0;"MARTINI bead: C3_P1";;;;;;;1.74;;0.29;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM411744;MM411744;C=NN1CC2CC2(CC)C1;NXLCWHAZFPMNPD-UHFFFAOYSA-N;138.21;1.33;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC3_SP1";;;;;;;1.74;;0.29;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM411745;MM411745;CC=CC1CNC(NO)=N1;RKBGGWPEPJNMMB-UHFFFAOYSA-N;141.17;-0.13;;;;;DOPC;MDCG;27;1;"MARTINI bead: SN0_SP2";;;;;;;0.06;;-4.17;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM411746;MM411746;CC=C1C=CC(C)C(=O)N1;JGPPXXRFIYBLJV-UHFFFAOYSA-N;137.18;1.21;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC5_SNda";;;;;;;1.64;;0.05;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM411747;MM411747;CCC(NC)C(C)C=NO;IYNPICCMFOJAKW-UHFFFAOYSA-N;144.22;1.08;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_Nda";;;;;;;0.87;;-6.1;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM411748;MM411748;CCC1=C(C)C(C#N)=CC1;ANUDCWSTKDJQKE-UHFFFAOYSA-N;133.19;2.57;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC1_SN0";;;;;;;3.21;;0.46;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM411749;MM411749;O=COCCC(=CF)CF;YESZTCJCXYJPEX-UHFFFAOYSA-N;150.12;1.37;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_P1";;;;;;;0.81;;-0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM411750;MM411750;CCC1=CN(C=NC)CC1;XCRUSBXNSFRZKG-UHFFFAOYSA-N;138.21;1.64;;;;;DOPC;MDCG;27;1;"MARTINI bead: SN0_SNd";;;;;;;1.17;;-3.85;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM411751;MM411751;C=NN1CC2CC2(CN)C1;BFBOZRHELDCENI-UHFFFAOYSA-N;139.2;-0.12;;;;;DOPC;MDCG;27;1;"MARTINI bead: SNd_SP1";;;;;;;0.04;;-4.78;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM411752;MM411752;C=C1NC(=NC)C=CC1N;BWMWEEWIZTWESC-UHFFFAOYSA-N;137.19;0.02;;;;;DOPC;MDCG;27;1;"MARTINI bead: SNd_SP1";;;;;;;0.04;;-5.61;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM411753;MM411753;CNC(CO)C(O)C=NN;SGDPFGZLOSSFOC-UHFFFAOYSA-N;147.18;-2.13;;;;;DOPC;MDCG;27;1;"MARTINI bead: P2_P2";;;;;;;-1.34;;-5.76;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM411754;MM411754;C=NOCCC(=CC)CC;QZMVXMOXJYEYLP-UHFFFAOYSA-N;141.21;2.37;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1_P1";;;;;;;2.08;;0.48;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM411755;MM411755;CC1=C(CO)CC=C1C#N;MWDGOQARGVQBJO-UHFFFAOYSA-N;135.17;1.15;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNda_SN0";;;;;;;1.17;;-1.13;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM411756;MM411756;CN=CN1C=C(CN)CC1;XBYZYRZPJQDHGG-UHFFFAOYSA-N;139.2;0.19;;;;;DOPC;MDCG;27;1;"MARTINI bead: SNd_SP2";;;;;;;-0.24;;-5.85;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM411757;MM411757;Nc1cnc(=O)n(N)n1;HRWZGCHNWHFJOS-UHFFFAOYSA-N;127.11;-2.07;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP2_SP3";;;;;;;-2.2;;-5.19;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM411758;MM411758;C=C(C)C(=C)CC(C)(C)O;DBQSPYRGQQGVLK-UHFFFAOYSA-N;140.23;2.28;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1_Nda";;;;;;;2.91;;0.57;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM411759;MM411759;COC(CN)C(N)C=CF;IUCJWTPPNDNDCE-UHFFFAOYSA-N;148.18;-0.23;;;;;DOPC;MDCG;27;1;"MARTINI bead: P2_P1";;;;;;;-1.06;;-5.71;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM411760;MM411760;C=NOCCC(=CF)CC;ZUGRUGCIAAMRQY-UHFFFAOYSA-N;145.18;2.27;;;;;DOPC;MDCG;27;0;"MARTINI bead: C2_P1";;;;;;;2;;0.3;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM411761;MM411761;CC1=C(CF)CC=C1C=O;GTNCDWATGYTFTJ-UHFFFAOYSA-N;140.16;1.8;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC4_SNa";;;;;;;2.2;;0.34;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM411762;MM411762;CN=CN1C=C(CO)CC1;JVSRAIHUBYUJEK-UHFFFAOYSA-N;140.19;0.23;;;;;DOPC;MDCG;27;1;"MARTINI bead: SNd_SP2";;;;;;;-0.24;;-5.72;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM411763;MM411763;CNC12CC1CN(C=N)C2;BTCBQZYKBGLROO-UHFFFAOYSA-N;139.2;-0.11;;;;;DOPC;MDCG;27;1;"MARTINI bead: SNd_SP1";;;;;;;0.04;;-6.37;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM411764;MM411764;CC=CC(N)C(CO)OC;GHOUXKHTQCYAQQ-UHFFFAOYSA-N;145.2;-0.1;;;;;DOPC;MDCG;27;1;"MARTINI bead: P2_Nd";;;;;;;-0.24;;-4.57;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM411765;MM411765;CN=C1C=CC(C)C(=N)N1;WMMVLPFSXXOUHE-UHFFFAOYSA-N;137.19;0.79;;;;;DOPC;MDCG;27;1;"MARTINI bead: SN0_SNd";;;;;;;1.17;;-3.04;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM411766;MM411766;CN=CN1C=C(CF)CC1;UYOIWIJPMCJOGT-UHFFFAOYSA-N;142.18;1.2;;;;;DOPC;MDCG;27;1;"MARTINI bead: SNd_SNa";;;;;;;0.87;;-4.41;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM411767;MM411767;C=NOCCC(=CC)CN;OYJWQHATMRKGBT-UHFFFAOYSA-N;142.2;0.91;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_Na";;;;;;;0.87;;-4.13;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM411768;MM411768;CNC12CC1CN(C=O)C2;CVJBLIQBPDHXMG-UHFFFAOYSA-N;140.19;-0.56;;;;;DOPC;MDCG;27;1;"MARTINI bead: SNd_SP1";;;;;;;0.04;;-4.54;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM411769;MM411769;CC1=C(CF)CC=C1C#N;CAHZTNWTLGIAGV-UHFFFAOYSA-N;137.16;2.13;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC4_SN0";;;;;;;2.5;;0.44;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM411770;MM411770;COC(CO)C(N)C=CF;MSOBUUXVOLMJOR-UHFFFAOYSA-N;149.17;-0.2;;;;;DOPC;MDCG;27;1;"MARTINI bead: P2_P1";;;;;;;-1.06;;-5.17;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM411771;MM411771;CC1C=CC(=NN)NC1=N;OPTYBLKVBQOQNH-UHFFFAOYSA-N;138.17;0.03;;;;;DOPC;MDCG;27;1;"MARTINI bead: SNd_SNd";;;;;;;0.87;;-3.69;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM411772;MM411772;CNn1cc(N)c(F)n1;LLRWOCYHTPHZKX-UHFFFAOYSA-N;130.13;-0.22;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP1_SP1";;;;;;;-0.79;;-3.13;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM411773;MM411773;CN=CN1C=C(OC)CC1;IDDNAGZAVNBQDT-UHFFFAOYSA-N;140.19;0.84;;;;;DOPC;MDCG;27;1;"MARTINI bead: SP1_SNd";;;;;;;0.04;;-4.2;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM411774;MM411774;C=NN1CC2CC2(NC)C1;MKPPRKADRAKKGK-UHFFFAOYSA-N;139.2;-0.1;;;;;DOPC;MDCG;27;1;"MARTINI bead: SNd_SP1";;;;;;;0.04;;-4.05;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM411775;MM411775;COC1=C(C)C(C=O)=CC1;VRJDKGNJQSVNEV-UHFFFAOYSA-N;138.17;1.44;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC4_SNa";;;;;;;2.2;;0.34;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM411776;MM411776;CCC(OC)C(O)C=CF;MKTBDGHMJQSQDU-UHFFFAOYSA-N;148.18;1.26;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_Nda";;;;;;;0.87;;-1.99;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM411777;MM411777;CN=C1C=CC(C)C(=O)N1;KLTYXLFJMJZYIF-UHFFFAOYSA-N;138.17;0.34;;;;;DOPC;MDCG;27;0;"MARTINI bead: SN0_SNda";;;;;;;1.17;;-1.13;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM411778;MM411778;C=NOCCC(=CC)CF;OKMURAOEOBWBCM-UHFFFAOYSA-N;145.18;1.92;;;;;DOPC;MDCG;27;0;"MARTINI bead: C3_P1";;;;;;;1.74;;0.29;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM411779;MM411779;CCC1=CN(C=NC)NC1;ZSTOAIWXWBGBCP-UHFFFAOYSA-N;139.2;0.76;;;;;DOPC;MDCG;27;1;"MARTINI bead: SP1_SP2";;;;;;;-1.06;;-5.41;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM411780;MM411780;COC1=C(C)C(C#N)=CC1;KDBFHCBSRFLEHJ-UHFFFAOYSA-N;135.17;1.76;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC4_SN0";;;;;;;2.5;;0.44;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM411781;MM411781;COC12CC1CN(C=N)C2;DEBNEAPDCPELJQ-UHFFFAOYSA-N;140.19;0.31;;;;;DOPC;MDCG;27;1;"MARTINI bead: SNa_SP1";;;;;;;0.04;;-5.99;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM411782;MM411782;CC=CC(O)C(CN)OC;WTIVYHLRAXHHMG-UHFFFAOYSA-N;145.2;-0.1;;;;;DOPC;MDCG;27;1;"MARTINI bead: P2_Nda";;;;;;;-0.24;;-5;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM411783;MM411783;C=CCCCC(CC)=NN;MURFAIQMTYTFBS-UHFFFAOYSA-N;140.23;2.07;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_C3";;;;;;;3.34;;0.48;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM411784;MM411784;C=CC1=CC(C=CC)CC1;MANUTSKZMJLQRR-UHFFFAOYSA-N;134.22;3.08;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC2_SC3";;;;;;;4.53;;0.32;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM411785;MM411785;CC1C=CC(=NN)NC1=O;QIMIYJDXZWJYBE-UHFFFAOYSA-N;139.16;-0.42;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNd_SNda";;;;;;;0.87;;-1.92;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM411786;MM411786;COC12CC1CN(C=O)C2;FSVRESMWPUNMMZ-UHFFFAOYSA-N;141.17;-0.14;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNa_SP1";;;;;;;0.04;;-2.54;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM411787;MM411787;C=Cc1c[nH]c(CC)c1C;LTGIAWJWUIMDOB-UHFFFAOYSA-N;135.21;2.53;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC5_SC5";;;;;;;2.41;;0.64;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM411788;MM411788;CC=CC(F)C(CO)OC;FDTDWCAKLZMQTL-UHFFFAOYSA-N;148.18;0.91;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_C4";;;;;;;1.09;;-0.38;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM411789;MM411789;CCC(CCCC=O)=NO;GNMZAKPYUNTWKM-UHFFFAOYSA-N;143.19;1.6;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda_Na";;;;;;;0.87;;-1.99;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM411790;MM411790;C=NN1CC2CC2(OC)C1;YZJVIAGINFZZBG-UHFFFAOYSA-N;140.19;0.32;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNa_SP1";;;;;;;0.04;;-2.54;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM411791;MM411791;CC1C=CC(=NO)NC1=O;ZQGIAULYDXZXPS-UHFFFAOYSA-N;140.14;0.1;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNda_SNda";;;;;;;0.87;;-2.07;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM411792;MM411792;CC=CC1C=C(C#N)CC1;BNJJCJYLCRXYLT-UHFFFAOYSA-N;133.19;2.42;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC2_SN0";;;;;;;3.13;;0.3;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM411793;MM411793;C=Cc1c[nH]c(CN)c1C;LXYJHPQMAVFVOD-UHFFFAOYSA-N;136.2;1.42;;;;;DOPC;MDCG;27;1;"MARTINI bead: SP1_SC5";;;;;;;0.81;;-1.95;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM411794;MM411794;C=CC=CCOC=NNC;OWBPREXHGZXMCH-UHFFFAOYSA-N;140.19;0.91;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_C4";;;;;;;1.37;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM411795;MM411795;C=CCCCC(CN)=NO;JGCWHQLJIXHNFU-UHFFFAOYSA-N;142.2;1.13;;;;;DOPC;MDCG;27;1;"MARTINI bead: C1_P3";;;;;;;0.94;;-1.05;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM411796;MM411796;C=CC1=CC(C=CC)CO1;AOJFBLFLYVZIAF-UHFFFAOYSA-N;136.19;2.28;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC5_SNa";;;;;;;1.64;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM411797;MM411797;CN=C1C=CC(O)C(=O)N1;DHDPKPCWESIZHP-UHFFFAOYSA-N;140.14;-0.94;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNd_SP2";;;;;;;-0.24;;-3.16;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM411798;MM411798;CCC12CC1NN(C=N)C2;KAHZRNOKLACWAB-UHFFFAOYSA-N;139.2;0.58;;;;;DOPC;MDCG;27;1;"MARTINI bead: SC3_SP3";;;;;;;0.6;;-3.1;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM411799;MM411799;C=NN=CCOC=NNC;NSTLKYYBWUGXSN-UHFFFAOYSA-N;142.16;-0.15;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_N0";;;;;;;0.34;;-1.53;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM411800;MM411800;C=Cc1c[nH]c(CO)c1C;CZORBBMUDHKANT-UHFFFAOYSA-N;137.18;1.46;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNda_SC5";;;;;;;1.64;;0.05;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM411801;MM411801;CCC(CCNC=N)=NN;KQHIQKUABQWQLN-UHFFFAOYSA-N;142.21;0.3;;;;;DOPC;MDCG;27;1;"MARTINI bead: C5_P3";;;;;;;-0.33;;-6.01;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM411802;MM411802;CC=CC1C=C(C=O)OC1;LJKVTQRUIVWGIS-UHFFFAOYSA-N;138.17;1.29;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC5_SNa";;;;;;;1.64;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM411803;MM411803;C=C1OC(=CC)C=CC1N;DVWFIKWOZRZENA-UHFFFAOYSA-N;137.18;1.32;;;;;DOPC;MDCG;27;1;"MARTINI bead: SC5_SNd";;;;;;;1.64;;-1.04;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM411804;MM411804;N=CN1CC2(CN)CC2N1;VZTOVUSKSKTVMG-UHFFFAOYSA-N;140.19;-0.87;;;;;DOPC;MDCG;27;1;"MARTINI bead: SNd_SP3";;;;;;;-1.1;;-6.28;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM411805;MM411805;C=Cc1c[nH]c(CF)c1C;BDHCAFKEWUGWSX-UHFFFAOYSA-N;139.17;2.44;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNda_SN0";;;;;;;1.17;;-1.13;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM411806;MM411806;CCC=COC=NNCC;PEBPATRKDOJORH-UHFFFAOYSA-N;142.2;1.48;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nd_C5";;;;;;;1.64;;0.02;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM411807;MM411807;CCNc1c[nH]c(N)c1;NVROLOLKJKPZTP-UHFFFAOYSA-N;125.18;1.03;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC5_SP1";;;;;;;0.81;;-0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM411808;MM411808;CC=CC1C=C(C=O)CN1;ANBNHPLFGGVUCT-UHFFFAOYSA-N;137.18;0.66;;;;;DOPC;MDCG;27;1;"MARTINI bead: SNd_SP1";;;;;;;0.04;;-4.61;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM411809;MM411809;CC=C1C=CC(C)C(=O)O1;YUEPLVPARZTODV-UHFFFAOYSA-N;138.17;1.64;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC5_SNa";;;;;;;1.64;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM411810;MM411810;CCc1[nH]cc(C#N)c1C;KEHUGLRYCHZILE-UHFFFAOYSA-N;134.18;1.76;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC5_SN0";;;;;;;1.94;;0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM411811;MM411811;NCC12CC1NN(C=O)C2;LAZBZRJTODIRBR-UHFFFAOYSA-N;141.17;-1.32;;;;;DOPC;MDCG;27;1;"MARTINI bead: SNd_SP2";;;;;;;-0.24;;-4.86;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM411812;MM411812;C=CC=COC=NNCC;JDJHEJMWMXNWAM-UHFFFAOYSA-N;140.19;1.26;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_C4";;;;;;;1.37;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM411813;MM411813;CCC(CCNC=N)=NO;JKCXCBDGHMUHPG-UHFFFAOYSA-N;143.19;0.81;;;;;DOPC;MDCG;27;1;"MARTINI bead: C5_P3";;;;;;;-0.33;;-6.09;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM411815;MM411815;N=C1CC(=NO)C=CN1N;GYMISGZPEADQGI-UHFFFAOYSA-N;140.15;-0.11;;;;;DOPC;MDCG;27;1;"MARTINI bead: SP1_SP1";;;;;;;-0.79;;-4.86;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM411814;MM411814;CC=CC1C=C(C#N)CO1;KWARGUZTKHYDPK-UHFFFAOYSA-N;135.17;1.41;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC5_SP1";;;;;;;0.81;;-0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM411816;MM411816;Nc1cc(=O)n(N)cn1;VIXBRVLXBSSTBP-UHFFFAOYSA-N;126.12;-1.46;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP1_SP3";;;;;;;-1.93;;-4.72;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM411817;MM411817;N=CN1CC2(CO)CC2N1;JMGNOBLSZIWION-UHFFFAOYSA-N;141.17;-0.84;;;;;DOPC;MDCG;27;1;"MARTINI bead: SNda_SP3";;;;;;;-1.1;;-6.26;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM411818;MM411818;C#CC=COC=NNCC;LLBBYHRIZCKARF-UHFFFAOYSA-N;138.17;0.7;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nd_Na";;;;;;;0.87;;-1.88;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM411819;MM411819;N=CNCCC(CO)=NN;WMGGVHROAGBVLX-UHFFFAOYSA-N;144.18;-1.12;;;;;DOPC;MDCG;27;1;"MARTINI bead: P2_P3";;;;;;;-2.2;;-9.09;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM411820;MM411820;CC=C1C=CN(O)C(=N)N1;BXKCMVWPRICLKD-UHFFFAOYSA-N;139.16;0.63;;;;;DOPC;MDCG;27;1;"MARTINI bead: SNd_SP2";;;;;;;-0.24;;-5.41;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM411821;MM411821;C=CC1=CN(C=NC)CC1;SSSCFOTZRVCXNQ-UHFFFAOYSA-N;136.2;1.42;;;;;DOPC;MDCG;27;1;"MARTINI bead: SNd_SN0";;;;;;;1.17;;-3.65;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM411822;MM411822;CNC12CC1NN(C=N)C2;WNUTXOLDEDNJRV-UHFFFAOYSA-N;140.19;-0.86;;;;;DOPC;MDCG;27;1;"MARTINI bead: SNd_SP3";;;;;;;-1.1;;-5.99;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM411823;MM411823;C=Cc1c[nH]c(CN)c1N;ZQUORCKDQZAWOD-UHFFFAOYSA-N;137.19;0.7;;;;;DOPC;MDCG;27;1;"MARTINI bead: SP2_SN0";;;;;;;0.06;;-3.35;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM411824;MM411824;CC=NN=CNC=CC#N;WGINAUZODNMXKB-UHFFFAOYSA-N;136.16;0.65;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_P1";;;;;;;0.81;;-0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM411825;MM411825;CCNc1cc(N)c[nH]1;NLURMLOQDAEHMR-UHFFFAOYSA-N;125.18;1.03;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC5_SP1";;;;;;;0.81;;-0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM411826;MM411826;N=C1NC(=CF)C=CN1O;AWHSAOAGHUHPAR-UHFFFAOYSA-N;143.12;0.54;;;;;DOPC;MDCG;27;1;"MARTINI bead: SP2_SP1";;;;;;;-1.06;;-4.93;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM411827;MM411827;CN=CN1C=C(C=O)CC1;BMVICDSNTBEORJ-UHFFFAOYSA-N;138.17;0.43;;;;;DOPC;MDCG;27;1;"MARTINI bead: SNd_SP2";;;;;;;-0.24;;-5.13;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM411828;MM411828;COC12CC1NN(C=N)C2;PUMYGZUZCFYHPC-UHFFFAOYSA-N;141.17;-0.43;;;;;DOPC;MDCG;27;1;"MARTINI bead: SNa_SP3";;;;;;;-1.1;;-5.98;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM411829;MM411829;CC#CC=NNC=CC#N;JDTCEUBUAJXVQH-UHFFFAOYSA-N;133.15;0.62;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4_P1";;;;;;;1.37;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM411830;MM411830;C=Cc1c[nH]c(CO)c1N;ITEZMIFVGGVMMY-UHFFFAOYSA-N;138.17;0.73;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP1_SN0";;;;;;;0.34;;-1.53;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM411831;MM411831;C=NNCCC(CC)=NN;HVUSPAMQINZFGQ-UHFFFAOYSA-N;142.21;0.31;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_P2";;;;;;;0.54;;-1.09;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM411832;MM411832;CC=C1C=CN(C)C(=O)N1;YUFCDCGTYXUIDT-UHFFFAOYSA-N;138.17;1.06;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNd_SP1";;;;;;;0.04;;-2.63;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM411833;MM411833;CC=NN1C=C(C=O)CC1;FENATSVAXWFIJA-UHFFFAOYSA-N;138.17;0.78;;;;;DOPC;MDCG;27;0;"MARTINI bead: SN0_SP2";;;;;;;0.06;;-2.21;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM411834;MM411834;CC1CCC1(C)O;DTNXZWISPIOFDZ-UHFFFAOYSA-N;100.16;1.17;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC4_SNda";;;;;;;2.2;;0.49;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM411835;MM411835;CCC12CC1CN(C=N)N2;MHMSQAWXOUHJLS-UHFFFAOYSA-N;139.2;0.58;;;;;DOPC;MDCG;27;1;"MARTINI bead: SC3_SP3";;;;;;;0.6;;-3.13;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM411836;MM411836;CC=NNC(=NC)OC;KMEOSELYOWVQLH-UHFFFAOYSA-N;129.16;0.21;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_Nd";;;;;;;0.87;;-1.88;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM411837;MM411837;CC(=O)C=NN1CC1C;HVLWREUVPOWFGY-UHFFFAOYSA-N;126.16;0.27;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP2_P1";;;;;;;-1.06;;-3.82;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM411838;MM411838;CC=C1C=CN(O)C(=O)N1;ZVSOTLSUHPFWPI-UHFFFAOYSA-N;140.14;0.82;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNd_SP2";;;;;;;-0.24;;-3.16;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM411839;MM411839;CC=NN1C=C(C#N)CC1;NQQQTJDIWNJJQJ-UHFFFAOYSA-N;135.17;1.11;;;;;DOPC;MDCG;27;0;"MARTINI bead: SN0_SP1";;;;;;;0.34;;-1.53;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM411840;MM411840;N#CC1=NCC(=CF)N1;AKZMUMYPPXGKHC-UHFFFAOYSA-N;125.11;0.32;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNda_SP1";;;;;;;0.04;;-2.73;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM411841;MM411841;CCC12CC1CN(C=O)N2;ICQYZXSFCHROQM-UHFFFAOYSA-N;140.19;0.13;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC3_SP2";;;;;;;1.46;;-0.15;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM411842;MM411842;CCC(CF)N(O)C=NO;ZVHQHCWKUVBOLN-UHFFFAOYSA-N;150.15;0.84;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4_P4";;;;;;;0.15;;-2.18;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM411843;MM411843;C=NNCCC(CF)=NN;GMYHYOHHTLPOPU-UHFFFAOYSA-N;146.17;-0.13;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda_P2";;;;;;;-0.24;;-3.31;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM411844;MM411844;CNc1ccn(C)c(=N)n1;HBEJQDFRPKGLPU-UHFFFAOYSA-N;138.17;-0.06;;;;;DOPC;MDCG;27;1;"MARTINI bead: SNda_SNd";;;;;;;0.87;;-8.05;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM411845;MM411845;C#CC1=CC(C=CC)CC1;VCOYAESAFVKKRP-UHFFFAOYSA-N;132.21;2.53;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC2_SC5";;;;;;;3.6;;0.34;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM411846;MM411846;N#Cc1c[nH]c(CO)c1N;MLPXNNJDYIXSKD-UHFFFAOYSA-N;137.14;-0.04;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNda_SNd";;;;;;;0.87;;-1.92;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM411847;MM411847;N=CN1CC2CC2(CN)N1;DEWMUTORMWYRLA-UHFFFAOYSA-N;140.19;-0.87;;;;;DOPC;MDCG;27;1;"MARTINI bead: SNd_SP3";;;;;;;-1.1;;-6.33;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM411848;MM411848;C=COCCC(CC)=NN;VFAXGTCFCBHRSV-UHFFFAOYSA-N;142.2;1.26;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_Na";;;;;;;1.64;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM411849;MM411849;CCC1(O)CCC1;ZQXBPTKCIMXYMS-UHFFFAOYSA-N;100.16;1.31;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNda_SC4";;;;;;;2.2;;0.49;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM411850;MM411850;Cn1ccc(NN)nc1=N;BOHZVUKPROGSBH-UHFFFAOYSA-N;139.16;-0.81;;;;;DOPC;MDCG;27;1;"MARTINI bead: SNd_SNda";;;;;;;0.87;;-7.94;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM411851;MM411851;C#CC1=CC(C=CC)NC1;ZASKPRORTOZJEC-UHFFFAOYSA-N;133.19;1.09;;;;;DOPC;MDCG;27;1;"MARTINI bead: SNd_SP1";;;;;;;0.04;;-4.66;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM411852;MM411852;N#Cc1c[nH]c(CF)c1N;JGCNTZGOOSLDEQ-UHFFFAOYSA-N;139.13;0.94;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNda_SNd";;;;;;;0.87;;-1.92;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM411853;MM411853;NCC12CC1CN(C=O)N2;HPXVAPUKDCKKPT-UHFFFAOYSA-N;141.17;-1.32;;;;;DOPC;MDCG;27;1;"MARTINI bead: SNd_SP2";;;;;;;-0.24;;-4.73;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM411854;MM411854;CCC(CCOC=O)=NN;AXDMNCBDAWIFMT-UHFFFAOYSA-N;144.17;0.27;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_P1";;;;;;;0.81;;-0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM411855;MM411855;OCC(CO)N(O)C=NO;HEGYGTNVNRYLTJ-UHFFFAOYSA-N;150.13;-1.55;;;;;DOPC;MDCG;27;0;"MARTINI bead: P4_P1";;;;;;;-2.01;;-5.13;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM411856;MM411856;Cn1ccc(NO)nc1=N;RYNWTMAUBHPNAG-UHFFFAOYSA-N;140.15;-0.3;;;;;DOPC;MDCG;27;1;"MARTINI bead: SNd_SNda";;;;;;;0.87;;-7.62;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM411857;MM411857;C#CC1=CN(C=NC)CC1;YTNNWKYUDMGHQP-UHFFFAOYSA-N;134.18;0.87;;;;;DOPC;MDCG;27;1;"MARTINI bead: SNd_SP1";;;;;;;0.04;;-4.76;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM411858;MM411858;C=Cc1c[nH]c(CN)c1O;OOLKDCBSTGUINF-UHFFFAOYSA-N;138.17;0.82;;;;;DOPC;MDCG;27;1;"MARTINI bead: SP1_SNda";;;;;;;0.04;;-4.3;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM411859;MM411859;CC=NN(C)C(CC)CN;VIUVSIDWIHQLJM-UHFFFAOYSA-N;143.23;0.66;;;;;DOPC;MDCG;27;1;"MARTINI bead: C5_P1";;;;;;;0.81;;-2.12;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM411860;MM411860;N=CN1CC2CC2(CO)N1;HJXUCCFHSKLURC-UHFFFAOYSA-N;141.17;-0.84;;;;;DOPC;MDCG;27;1;"MARTINI bead: SNda_SP3";;;;;;;-1.1;;-6.33;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM411861;MM411861;C=COCCC(CC)=NO;FJSKFXFANOGKQH-UHFFFAOYSA-N;143.19;1.78;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda_Na";;;;;;;0.87;;-1.99;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM411862;MM411862;CNc1ccn(N)c(=N)n1;PBSDSKDWMBATCI-UHFFFAOYSA-N;139.16;-0.88;;;;;DOPC;MDCG;27;1;"MARTINI bead: SNda_SP2";;;;;;;-0.24;;-7.81;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM411863;MM411863;CC#CC1C=C(CC)CC1;YGGPOSIISDQMLI-UHFFFAOYSA-N;134.22;2.76;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC2_SC4";;;;;;;4.16;;0.44;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM411864;MM411864;C=Cc1c[nH]c(CC)c1F;UQAKGHVZCOKDOK-UHFFFAOYSA-N;139.17;2.36;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC5_SC5";;;;;;;2.41;;0.64;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM411865;MM411865;CC=NN(C)C(CN)CO;YWXGOAWFDSRIJA-UHFFFAOYSA-N;145.21;-0.76;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1_P2";;;;;;;-1.06;;-5.08;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM411866;MM411866;Cn1nnc(N)cc1=N;YUVRWDLXCUZZNP-UHFFFAOYSA-N;125.14;-1.12;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP2_SP2";;;;;;;-1.34;;-4.31;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM411867;MM411867;C=CC12CC(O)C(C1)C2;LHQKEUCCTZHCEH-UHFFFAOYSA-N;124.18;1.33;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNda_SC3";;;;;;;2.57;;0.44;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM411868;MM411868;N=c1nc(NN)ccn1N;RJWLZOCZFZMJIH-UHFFFAOYSA-N;140.15;-1.64;;;;;DOPC;MDCG;27;1;"MARTINI bead: SNda_SP2";;;;;;;-0.24;;-7.51;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM411869;MM411869;CC#CC1C=C(CN)CC1;LEPXAXZFAQPGAY-UHFFFAOYSA-N;135.21;1.3;;;;;DOPC;MDCG;27;1;"MARTINI bead: SC4_SNd";;;;;;;2.2;;-1.67;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM411870;MM411870;O=CN1CC2CC2(CF)N1;GNOCIWPGDFFVCL-UHFFFAOYSA-N;144.15;-0.31;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC5_SP2";;;;;;;0.54;;-1.09;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM411871;MM411871;CCc1[nH]cc(C#N)c1F;VGWOFYDVOQFFCS-UHFFFAOYSA-N;138.15;1.59;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC5_SNa";;;;;;;1.64;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM411872;MM411872;CCC(C#N)C(C)C=CF;IRBJZGFRYLPRMM-UHFFFAOYSA-N;141.19;2.66;;;;;DOPC;MDCG;27;0;"MARTINI bead: N0_C3";;;;;;;2.87;;0.37;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM411873;MM411873;C=NOCCC(CC)=NN;SVBKBZBFBLBIRR-UHFFFAOYSA-N;143.19;0.73;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_P1";;;;;;;0.81;;-0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM411874;MM411874;CC#CC1C=C(CO)CC1;AXQOJXDYLMAMFX-UHFFFAOYSA-N;136.19;1.34;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC4_SNda";;;;;;;2.2;;0.49;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM411875;MM411875;N=c1nc(NO)ccn1N;JROYXSFXXALPLH-UHFFFAOYSA-N;141.13;-1.12;;;;;DOPC;MDCG;27;1;"MARTINI bead: SP2_SNda";;;;;;;-0.24;;-7.01;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM411876;MM411876;C=CC(CN)C(C)C=CC;OSPJSRGEVYEMEK-UHFFFAOYSA-N;139.24;1.96;;;;;DOPC;MDCG;27;1;"MARTINI bead: C1_Nd";;;;;;;2.91;;-0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM411877;MM411877;CCC12CC1CN(C=O)O2;RPLOSDKZPCCPLS-UHFFFAOYSA-N;141.17;0.56;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC3_SP2";;;;;;;1.46;;-0.15;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM411878;MM411878;CC#CCON=CCF;WGLBGSSQAYODHV-UHFFFAOYSA-N;129.13;0.98;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4_P1";;;;;;;1.37;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM411879;MM411879;CCC1CC=C(C)C1O;JQAZZCLPXUBSID-UHFFFAOYSA-N;126.2;1.72;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC2_SNda";;;;;;;2.83;;0.57;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM411880;MM411880;CC#CC1C=C(CF)CC1;YIKOKYWJFGJVEB-UHFFFAOYSA-N;138.19;2.32;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC4_SC5";;;;;;;2.97;;0.45;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM411881;MM411881;CNc1ccn(O)c(=N)n1;XEPRAHSNTUAHRG-UHFFFAOYSA-N;140.15;-0.36;;;;;DOPC;MDCG;27;1;"MARTINI bead: SNda_SP2";;;;;;;-0.24;;-7.54;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM411882;MM411882;C=CC(CN)C(C)C=CF;UWUCOENNDFNCAL-UHFFFAOYSA-N;143.21;1.87;;;;;DOPC;MDCG;27;1;"MARTINI bead: C3_Nd";;;;;;;2.57;;-1.48;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM411883;MM411883;N=CN1CC2CC2(CN)O1;NSHDHLFXICXWAM-UHFFFAOYSA-N;141.17;-0.44;;;;;DOPC;MDCG;27;1;"MARTINI bead: SNd_SP1";;;;;;;0.04;;-3.97;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM411884;MM411884;C=CCCCC(=NC)NC;UPMGTSZBOOEAII-UHFFFAOYSA-N;140.23;1.59;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_C3";;;;;;;2.57;;-3.47;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM411885;MM411885;CC(C)(CF)ON=CCF;XJLDUMKGYXLKRQ-UHFFFAOYSA-N;151.16;1.71;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4_P1";;;;;;;1.37;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM411886;MM411886;N=c1nc(NN)ccn1O;DSGBTUJKKPSBRZ-UHFFFAOYSA-N;141.13;-1.11;;;;;DOPC;MDCG;27;1;"MARTINI bead: SNda_SP2";;;;;;;-0.24;;-7.17;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM411887;MM411887;CC#CC1C=C(OC)CC1;BEMRSLOMXYRJJL-UHFFFAOYSA-N;136.19;1.95;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC5_SC4";;;;;;;2.97;;0.45;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM411888;MM411888;CC=CC(C)C(C#N)CO;BOVKZACXXRQVOP-UHFFFAOYSA-N;139.2;1.33;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1_P2";;;;;;;1.8;;0.4;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM411889;MM411889;NCC12CC1CN(C=O)O2;VOXOYVQGQRMFJQ-UHFFFAOYSA-N;142.16;-0.89;;;;;DOPC;MDCG;27;1;"MARTINI bead: SNd_SP2";;;;;;;-0.24;;-4.81;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM411890;MM411890;C=CC(C)(C)ON=CCF;DDNOADVPTJGJNE-UHFFFAOYSA-N;145.18;1.92;;;;;DOPC;MDCG;27;0;"MARTINI bead: C2_P1";;;;;;;2;;0.29;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM411891;MM411891;CN=C(CCCC=O)NC;XZVJEAKNTAKXQL-UHFFFAOYSA-N;142.2;0.6;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_Na";;;;;;;0.87;;-6.66;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM411892;MM411892;N=c1nc(NO)ccn1O;MAIMXBQGOVPMKR-UHFFFAOYSA-N;142.12;-0.6;;;;;DOPC;MDCG;27;1;"MARTINI bead: SNda_SP2";;;;;;;-0.24;;-6.6;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM411893;MM411893;CC#CC1C=C(CC)OC1;UXOXFJOGJXPTLG-UHFFFAOYSA-N;136.19;1.95;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC5_SC5";;;;;;;2.41;;0.64;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM411894;MM411894;C=CC(CF)C(C)C=CF;QCPWBHLPBGRPCT-UHFFFAOYSA-N;146.18;2.88;;;;;DOPC;MDCG;27;0;"MARTINI bead: C3_C5";;;;;;;3.34;;0.48;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM411895;MM411895;C=CC1CC2NC2(CN)C1;CUECCFIWCIWZMQ-UHFFFAOYSA-N;138.21;0.25;;;;;DOPC;MDCG;27;1;"MARTINI bead: SP2_SC2";;;;;;;1.72;;-1.29;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM411896;MM411896;C=Cc1c[nH]c(NC)c1O;DPYZIQGAZMRKNO-UHFFFAOYSA-N;138.17;1.41;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNda_SN0";;;;;;;1.17;;-1.13;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM411897;MM411897;CN=C(CCNC=O)NC;VUHZGLKGGNYZDN-UHFFFAOYSA-N;143.19;-0.63;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_P3";;;;;;;-1.1;;-8.04;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM411898;MM411898;C=CC(=CC)CC(C)(C)O;MBGQOAGHRMEYEE-UHFFFAOYSA-N;140.23;2.28;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1_Nda";;;;;;;2.91;;0.57;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM411899;MM411899;CC#CC1C=C(CN)OC1;HNAMUQUQEQOGSO-UHFFFAOYSA-N;137.18;0.5;;;;;DOPC;MDCG;27;1;"MARTINI bead: SC5_SP2";;;;;;;0.54;;-2.53;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM411900;MM411900;CC=CC(C)C(C=O)CF;YSUZMZGCIRNFSZ-UHFFFAOYSA-N;144.19;1.98;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1_P1";;;;;;;2.08;;0.48;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM411901;MM411901;C#Cc1onc(C)c1N;MJPFGDLBFWNRQQ-UHFFFAOYSA-N;122.13;0.55;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNa_SNd";;;;;;;0.87;;-1.88;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM411902;MM411902;CNc1[nH]cc(C#N)c1O;NSSNWUVBLKTTSQ-UHFFFAOYSA-N;137.14;0.63;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNd_SNda";;;;;;;0.87;;-1.92;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM411903;MM411903;CN=C(CCNC=O)NN;NLCWMLGGPQNEJD-UHFFFAOYSA-N;144.18;-1.39;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_P3";;;;;;;-1.1;;-6.71;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM411904;MM411904;C#CC(=NN)OC(C)(C)C;ZDEAEHTZKVVCLH-UHFFFAOYSA-N;140.19;0.71;;;;;DOPC;MDCG;27;0;"MARTINI bead: C3_P2";;;;;;;1.46;;-0.15;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM411905;MM411905;C=CC(CC)C(N)C=CF;VZVHOCLLVMUMPQ-UHFFFAOYSA-N;143.21;2.01;;;;;DOPC;MDCG;27;1;"MARTINI bead: C1_P1";;;;;;;2.08;;-0.79;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM411906;MM411906;CC#CC1C=C(CO)OC1;KHSDBZCNDOCDCK-UHFFFAOYSA-N;138.17;0.53;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC5_SP1";;;;;;;0.81;;-0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM411907;MM411907;CON=C(C#N)NN(C)C;IXKANUBELQNOIX-UHFFFAOYSA-N;142.16;-0.46;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_P1";;;;;;;-0.79;;-3.13;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM411908;MM411908;C=CC1CC2NC2(CF)C1;ITBWCLQFEXKLHQ-UHFFFAOYSA-N;141.19;1.26;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNda_SC2";;;;;;;2.83;;0.59;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM411909;MM411909;Cn1ccc(NO)nc1=O;YCXWHDJWPFLJAB-UHFFFAOYSA-N;141.13;-0.42;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP1_SNda";;;;;;;0.04;;-2.73;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM411910;MM411910;CN=C(CCNC=O)NO;YFTQZUZGMYRXRI-UHFFFAOYSA-N;145.16;-0.87;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nda_P3";;;;;;;-1.1;;-5.56;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM411911;MM411911;C=CC(CN)C(N)C=CF;IUYQGXHYZICFPL-UHFFFAOYSA-N;144.19;0.56;;;;;DOPC;MDCG;27;1;"MARTINI bead: P2_Nda";;;;;;;-0.24;;-5.87;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM411912;MM411912;CC#CC1C=C(CF)OC1;FCEJTYLKFPUXED-UHFFFAOYSA-N;140.16;1.51;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC5_SNa";;;;;;;1.64;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM411913;MM411913;C#CC1=NNC(=N)C1(C)C;KRVWAEUMOJDJHE-UHFFFAOYSA-N;135.17;0.58;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNd_SP1";;;;;;;0.04;;-2.63;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM411914;MM411914;N#CC1CC2NC2(CF)C1;RHRNMFUTGMFXKX-UHFFFAOYSA-N;140.16;0.6;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNda_SC5";;;;;;;1.64;;0.05;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM411915;MM411915;CCC(C)CC1(O)CC1C;JRZAZGBKMLUHDH-UHFFFAOYSA-N;142.24;2.19;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1_SNda";;;;;;;2.91;;0.57;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM411916;MM411916;C=NNCCC(=NC)NC;NLHHWXKGBYRWNF-UHFFFAOYSA-N;142.21;-0.17;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_P2";;;;;;;-0.24;;-7.51;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM411917;MM411917;CC#CC1C=C(CC)CN1;FQURCDMVXJYXBT-UHFFFAOYSA-N;135.21;1.32;;;;;DOPC;MDCG;27;1;"MARTINI bead: SN0_SNd";;;;;;;1.17;;-3.19;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM411918;MM411918;C=CC(CO)C(N)C=CF;ZTLYUKMDURYTHY-UHFFFAOYSA-N;145.18;0.59;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1_Nda";;;;;;;0.04;;-4.75;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM411919;MM411919;C=Cc1c[nH]c(OC)c1C;IWEFEOGOIMLFGL-UHFFFAOYSA-N;137.18;1.97;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNda_SC5";;;;;;;1.64;;0.05;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM411920;MM411920;CON=C(C)C#CCCF;ITDAWCSGIXETMR-UHFFFAOYSA-N;143.16;1.37;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_Na";;;;;;;0.87;;-2.22;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM411921;MM411921;CCC12CN(C=N)CC1N2;VJULJPLJDYSCQL-UHFFFAOYSA-N;139.2;0.03;;;;;DOPC;MDCG;27;1;"MARTINI bead: SP1_SP1";;;;;;;-0.79;;-6.55;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM411922;MM411922;C=COCCC(=NC)NC;WCYWQLOFOFVTAO-UHFFFAOYSA-N;142.2;0.78;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_Na";;;;;;;0.87;;-6.13;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM411923;MM411923;C=CC(CF)C(N)C=CC;WUBQVRFCZGIEMU-UHFFFAOYSA-N;143.21;1.66;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_C5";;;;;;;1.64;;-2.29;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM411924;MM411924;CC#CC1C=C(CN)CN1;QFLXTNBZOBQUKG-UHFFFAOYSA-N;136.2;-0.13;;;;;DOPC;MDCG;27;1;"MARTINI bead: SNd_SP2";;;;;;;-0.24;;-5.3;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM411925;MM411925;COc1[nH]cc(C#N)c1C;HMPMBHCLEWHSBG-UHFFFAOYSA-N;136.15;1.2;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNda_SN0";;;;;;;1.17;;-1.13;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM411926;MM411926;CCC12CN(C=O)CC1N2;PEGGMYALKORTCS-UHFFFAOYSA-N;140.19;-0.42;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP1_SP1";;;;;;;-0.79;;-3.13;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM411927;MM411927;CCC(=O)ON=C(N)CF;ZNLGDHNQBIDPFC-UHFFFAOYSA-N;148.14;0.18;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_Na";;;;;;;0.04;;-2.54;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM411928;MM411928;CN=C(CCOC=O)NO;BBEXPDCFFPFACV-UHFFFAOYSA-N;146.15;-0.44;;;;;DOPC;MDCG;27;1;"MARTINI bead: Na_P2";;;;;;;-0.24;;-4.57;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM411929;MM411929;C=CC(CF)C(N)C=CF;FSRFODCZTQGJBC-UHFFFAOYSA-N;147.17;1.57;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1_C5";;;;;;;0.81;;-2.8;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM411930;MM411930;CC#CC1C=C(CO)CN1;POVBQSNDZBVHHR-UHFFFAOYSA-N;137.18;-0.1;;;;;DOPC;MDCG;27;1;"MARTINI bead: SNd_SP2";;;;;;;-0.24;;-4.78;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM411931;MM411931;C=Cc1c[nH]c(OC)c1N;GHXHTXMHADQAKI-UHFFFAOYSA-N;138.17;1.25;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNda_SNd";;;;;;;0.87;;-1.92;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM411932;MM411932;N=CN1CC2NC2(CN)C1;CYTRXGNXTCBHEW-UHFFFAOYSA-N;140.19;-1.42;;;;;DOPC;MDCG;27;1;"MARTINI bead: SP3_SP1";;;;;;;-1.93;;-7.96;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM411933;MM411933;N=c1ncc2n[nH]oc-2n1;INHOTUFVDBONKG-UHFFFAOYSA-N;137.1;-0.62;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP1_SP2";;;;;;;-1.06;;-8.58;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM411934;MM411934;C=COCCC(=NO)NO;HPNQAIXILBLCDC-UHFFFAOYSA-N;146.15;0.3;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_Na";;;;;;;-0.24;;-3.24;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM411935;MM411935;CCC(C#N)C(O)C=CF;JWGAPBDPGPKKIS-UHFFFAOYSA-N;143.16;1.38;;;;;DOPC;MDCG;27;0;"MARTINI bead: N0_Nda";;;;;;;1.17;;-1.13;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM411936;MM411936;COc1[nH]cc(C#N)c1N;BSBBPZHNCFUSEN-UHFFFAOYSA-N;137.14;0.48;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNda_SN0";;;;;;;1.17;;-1.13;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM411937;MM411937;CC#CC1C=C(CF)CN1;MJUGTYHTVXLFNZ-UHFFFAOYSA-N;139.17;0.88;;;;;DOPC;MDCG;27;1;"MARTINI bead: SNd_SNa";;;;;;;0.87;;-3.65;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM411938;MM411938;NCC12CN(C=O)CC1N2;XEGDJAMMEDJTLN-UHFFFAOYSA-N;141.17;-1.87;;;;;DOPC;MDCG;27;1;"MARTINI bead: SP3_SP1";;;;;;;-1.93;;-6.26;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM411939;MM411939;C=CCCCC(=CC)OC;JDQADWGYSHPEKY-UHFFFAOYSA-N;140.23;2.89;;;;;DOPC;MDCG;27;0;"MARTINI bead: C3_C3";;;;;;;4.27;;0.2;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM411940;MM411940;NC(=O)C(O)C#CC(=O)O;XNAQNACQEPIPMN-UHFFFAOYSA-N;143.1;-2.08;;;;;DOPC;MDCG;27;0;"MARTINI bead: P4_P1";;;;;;;-2.01;;-9.04;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM411941;MM411941;CCC(C=O)C(F)C=CF;DFKORRQFFONXTB-UHFFFAOYSA-N;148.15;2.03;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_C5";;;;;;;2.41;;0.64;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM411942;MM411942;CC#CC1C=C(OC)CN1;AKIVJZGPWXIUPN-UHFFFAOYSA-N;137.18;0.51;;;;;DOPC;MDCG;27;1;"MARTINI bead: SP1_SNd";;;;;;;0.04;;-3.77;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM411943;MM411943;COc1[nH]cc(C#N)c1O;LZJWNOMKLWKSDB-UHFFFAOYSA-N;138.13;0.6;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNda_SNda";;;;;;;0.87;;-2.07;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM411944;MM411944;N=CN1CC2NC2(CO)C1;ZDYBMWRNNJYRAS-UHFFFAOYSA-N;141.17;-1.39;;;;;DOPC;MDCG;27;1;"MARTINI bead: SP3_SP1";;;;;;;-1.93;;-7.94;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM411945;MM411945;C=CC(CN)C(F)C=CC;DTHXSLVINDYKLD-UHFFFAOYSA-N;143.21;1.66;;;;;DOPC;MDCG;27;1;"MARTINI bead: C4_Nd";;;;;;;2.2;;-2.1;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM411946;MM411946;CC=C(CCCC#N)OC;ONRMLUJWXSMJMJ-UHFFFAOYSA-N;139.2;2.23;;;;;DOPC;MDCG;27;0;"MARTINI bead: C3_P1";;;;;;;1.74;;0.29;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM411947;MM411947;O=CC(C=O)OC(=O)CO;GTIRDPQUKDECLQ-UHFFFAOYSA-N;146.1;-1.71;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_Na";;;;;;;-0.24;;-8.05;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM411948;MM411948;CC#CC1C=C(CC)CO1;VPXGFLZSCDGHHW-UHFFFAOYSA-N;136.19;1.74;;;;;DOPC;MDCG;27;0;"MARTINI bead: SN0_SC5";;;;;;;1.94;;0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM411949;MM411949;C=Cc1coc(CC)c1C;DQRKJJVUKCCLQF-UHFFFAOYSA-N;136.19;2.79;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC4_SC4";;;;;;;3.53;;0.53;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM411950;MM411950;O=CN1CC2NC2(CF)C1;HZUPYWZWWUUKIN-UHFFFAOYSA-N;144.15;-0.86;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP2_SP1";;;;;;;-1.06;;-3.82;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM411951;MM411951;COC(=CF)CCCC=O;ZNSADNRJGVFZII-UHFFFAOYSA-N;146.16;1.81;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_Na";;;;;;;1.64;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM411952;MM411952;C=CC(CN)C(F)C=CF;WNGACHLZDVFMGW-UHFFFAOYSA-N;147.17;1.57;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nda_Na";;;;;;;0.87;;-4.67;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM411953;MM411953;Oc1cnon1;SUIZZAKVFWEMTF-UHFFFAOYSA-N;86.05;-0.22;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP1_SP1";;;;;;;-0.79;;-8.07;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM411954;MM411954;CC#CC1C=C(CN)CO1;TWLSJUJRKPDWRI-UHFFFAOYSA-N;137.18;0.29;;;;;DOPC;MDCG;27;1;"MARTINI bead: SC5_SP1";;;;;;;0.81;;-2.66;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM411955;MM411955;C=Cc1coc(CO)c1C;FXXBHBQATAYPJX-UHFFFAOYSA-N;138.17;1.72;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNda_SC5";;;;;;;1.64;;0.05;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM411956;MM411956;C=NN1CC2NC2(CC)C1;BGXXYBPRMLEFFF-UHFFFAOYSA-N;139.2;0.04;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP1_SP1";;;;;;;-0.79;;-3.13;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM411957;MM411957;CC=C(CCNC=N)OC;SUWWHBAYFXNBCB-UHFFFAOYSA-N;142.2;1.12;;;;;DOPC;MDCG;27;1;"MARTINI bead: C3_P3";;;;;;;0.6;;-4.74;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM411958;MM411958;CC(C)(F)C(C#N)=NO;RDVKTUDBAMKKMM-UHFFFAOYSA-N;130.12;1.09;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_P2";;;;;;;0.54;;-5.82;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM411959;MM411959;CC=CC(F)C(C#N)CO;JRRFDAVKESPVTR-UHFFFAOYSA-N;143.16;1.03;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4_P2";;;;;;;1.09;;-0.38;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM411960;MM411960;CC#CC1C=C(CO)CO1;NTOZPMUQQFGPQD-UHFFFAOYSA-N;138.17;0.33;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC5_SP1";;;;;;;0.81;;-0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM411961;MM411961;C=Cc1coc(CF)c1C;BGIYIABNLRBRDA-UHFFFAOYSA-N;140.16;2.7;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC5_SC5";;;;;;;2.41;;0.64;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM411962;MM411962;CC#CC(=O)C1NC1C;UCMWRAHQQUIMNG-UHFFFAOYSA-N;123.16;-0.06;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_SP1";;;;;;;0.81;;-0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM411963;MM411963;C=NN1CC2NC2(CN)C1;GEDDUHADWWHVPT-UHFFFAOYSA-N;140.19;-1.41;;;;;DOPC;MDCG;27;1;"MARTINI bead: SP3_SP1";;;;;;;-1.93;;-6.34;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM411964;MM411964;OC=C1C=C(F)C(F)=N1;MFHNTXILOYCBRL-UHFFFAOYSA-N;131.08;1.62;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNda_SNa";;;;;;;0.87;;-6.98;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM411965;MM411965;N#CC(CO)C(F)C=CF;TVTFYKVHMJOHBK-UHFFFAOYSA-N;147.12;0.94;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_C5";;;;;;;0.54;;-1.09;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM411966;MM411966;CC#CC1C=C(CF)CO1;TYSPEVHYWJVJRN-UHFFFAOYSA-N;140.16;1.3;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC5_SNa";;;;;;;1.64;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM411967;MM411967;CCc1occ(C=O)c1C;JWDRPRVCTQDQCF-UHFFFAOYSA-N;138.17;1.96;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC4_SNa";;;;;;;2.2;;0.34;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM411968;MM411968;CC=NOC(C)CC(C)=O;LFDFOEGSFGQDGP-UHFFFAOYSA-N;143.19;1.38;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_P1";;;;;;;0.81;;-0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM411969;MM411969;COC(=CF)CCNC=N;GHGQXZBOOXNUTL-UHFFFAOYSA-N;146.17;1.03;;;;;DOPC;MDCG;27;1;"MARTINI bead: P2_N0";;;;;;;0.06;;-6.45;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM411970;MM411970;CN1C=NC(C#N)C1=O;YJWMQMRXPOGIKQ-UHFFFAOYSA-N;123.12;-0.62;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP2_SP2";;;;;;;-1.34;;-9.1;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM411971;MM411971;C=CC(CF)C(F)C=CF;OZNSMDIEZPHVNA-UHFFFAOYSA-N;150.14;2.58;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_C5";;;;;;;2.41;;0.64;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM411972;MM411972;CC#CC1C=C(OC)CO1;APYVTLHEHLDNBN-UHFFFAOYSA-N;138.17;0.94;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNa_SC5";;;;;;;1.64;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM411973;MM411973;CCc1occ(C#N)c1C;QZDHHIRSDLGMNM-UHFFFAOYSA-N;135.17;2.02;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC4_SN0";;;;;;;2.5;;0.44;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM411974;MM411974;C=CC1CC2OC2(CC)C1;KFEFWQFXSXBKTR-UHFFFAOYSA-N;138.21;2.13;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC5_SC2";;;;;;;3.6;;0.34;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM411975;MM411975;COC(=CF)CCNC=O;GFOSHPDOULXAJU-UHFFFAOYSA-N;147.15;0.58;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_N0";;;;;;;0.34;;-1.53;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM411976;MM411976;C=NNC(=O)C(=O)C(=O)O;QBMYLMJHRIESFU-UHFFFAOYSA-N;144.09;-1.63;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_P1";;;;;;;-0.79;;-8.07;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM411977;MM411977;C=CC(CC)C(C)C=NN;SSYQZDRDOPBOFF-UHFFFAOYSA-N;140.23;1.78;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1_Nd";;;;;;;2.91;;0.64;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM411978;MM411978;CC#CC1CNC(NC)=N1;OXOCOHBGZIVZRL-UHFFFAOYSA-N;137.19;-0.44;;;;;DOPC;MDCG;27;1;"MARTINI bead: SP1_SP1";;;;;;;-0.79;;-6.5;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM411979;MM411979;Cc1c(C=O)coc1CO;XDOYXCQRFGIUFP-UHFFFAOYSA-N;140.14;0.89;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNda_SNa";;;;;;;0.87;;-1.99;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM411980;MM411980;CCC12CC(C#N)CC1O2;AYJUHPBWSYONQO-UHFFFAOYSA-N;137.18;1.47;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC5_SC5";;;;;;;2.41;;0.64;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM411981;MM411981;C=COCCC(=CC)OC;PVMDBWLRWZFDLL-UHFFFAOYSA-N;142.2;2.09;;;;;DOPC;MDCG;27;0;"MARTINI bead: C3_Na";;;;;;;2.57;;0.45;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM411982;MM411982;CNc1cnn(C)c(=N)n1;DWBYYNVRTFRQLH-UHFFFAOYSA-N;139.16;-0.66;;;;;DOPC;MDCG;27;1;"MARTINI bead: SP1_SP3";;;;;;;-1.93;;-6.75;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM411983;MM411983;CC#CC1CNC(NN)=N1;NDVCEASRCQIOIE-UHFFFAOYSA-N;138.17;-1.2;;;;;DOPC;MDCG;27;1;"MARTINI bead: SP1_SP2";;;;;;;-1.06;;-6.45;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM411984;MM411984;C=CC(CC)C(C)C=NO;BHNPRGNWCCFAAA-UHFFFAOYSA-N;141.21;2.29;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1_Nda";;;;;;;2.91;;0.57;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM411985;MM411985;Cc1c(C#N)coc1CO;XEYNYPDCDMTVPO-UHFFFAOYSA-N;137.14;0.95;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNda_SN0";;;;;;;1.17;;-1.13;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM411986;MM411986;C=CC1CC2OC2(CN)C1;HSGHXNXEBWFBKD-UHFFFAOYSA-N;139.2;0.68;;;;;DOPC;MDCG;27;1;"MARTINI bead: SP1_SC2";;;;;;;2;;-0.7;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM411987;MM411987;CC=C(CCOC=O)OC;MFEUUVUASIALEA-UHFFFAOYSA-N;144.17;1.1;;;;;DOPC;MDCG;27;0;"MARTINI bead: C3_P1";;;;;;;1.74;;0.29;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM411988;MM411988;CCC(C#N)C(C)C=NO;HHJOELCEADONJK-UHFFFAOYSA-N;140.19;1.63;;;;;DOPC;MDCG;27;0;"MARTINI bead: N0_Nda";;;;;;;1.17;;-1.13;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM411989;MM411989;Cn1ncc(NN)nc1=N;ZIZHTJKUCPYKBD-UHFFFAOYSA-N;140.15;-1.42;;;;;DOPC;MDCG;27;1;"MARTINI bead: SP3_SP2";;;;;;;-2.2;;-6.76;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM411990;MM411990;CC#CC1CNC(NO)=N1;VIDZLWIRXHJOAA-UHFFFAOYSA-N;139.16;-0.68;;;;;DOPC;MDCG;27;1;"MARTINI bead: SP1_SP2";;;;;;;-1.06;;-5;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM411991;MM411991;C=CC1CC2OC2(CO)C1;DATLRUDLYIOVHA-UHFFFAOYSA-N;140.18;0.71;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP1_SC2";;;;;;;2;;0.29;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM411992;MM411992;C=Cc1coc(CO)c1N;SPDNMDCJOATHEP-UHFFFAOYSA-N;139.15;1;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP1_SC5";;;;;;;0.81;;-0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM411993;MM411993;COC(=CF)CCOC=O;RTJIIUIQISHONU-UHFFFAOYSA-N;148.13;1.01;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_P1";;;;;;;0.81;;-0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM411994;MM411994;C=CC(CF)C(C)C=NN;RPZFTRHSUGPLSK-UHFFFAOYSA-N;144.19;1.34;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nd_C5";;;;;;;1.64;;0.02;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM411995;MM411995;CC#CC1CNC(OC)=N1;BLKBFBWSKBQGQJ-UHFFFAOYSA-N;138.17;-0.02;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP1_SP1";;;;;;;-0.79;;-3.13;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM411996;MM411996;CNc1cnn(C)c(=O)n1;UPSGYOPNZACBIT-UHFFFAOYSA-N;140.15;-0.78;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP1_SP2";;;;;;;-1.06;;-3.82;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM411997;MM411997;O=CC1CC2OC2(CF)C1;QNSGTOSYJQFYJW-UHFFFAOYSA-N;144.15;0.7;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNa_SNa";;;;;;;0.87;;-2.22;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM411998;MM411998;CCc1occ(C=O)c1N;FLMMEEOCJUZZRS-UHFFFAOYSA-N;139.15;1.24;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC4_SNda";;;;;;;2.2;;0.49;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM411999;MM411999;C=NOCCC(=CC)OC;CPKVUUAPIKHSIY-UHFFFAOYSA-N;143.19;1.56;;;;;DOPC;MDCG;27;0;"MARTINI bead: C3_P1";;;;;;;1.74;;0.29;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM412000;MM412000;C=CC(CF)C(C)C=NO;POKJUQUXMRGENI-UHFFFAOYSA-N;145.18;1.85;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda_C5";;;;;;;1.64;;0.05;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM412001;MM412001;CC(C)(F)C=COC=NN;FZHHQMIJENUZFV-UHFFFAOYSA-N;146.17;1.17;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4_P1";;;;;;;1.37;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM412002;MM412002;CCC(C)C1CC1(O)CC;BQOCLAWXSONHJB-UHFFFAOYSA-N;142.24;2.19;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1_SNda";;;;;;;2.91;;0.57;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM412003;MM412003;CCC12CN(C=N)CC1O2;YJJZLWSWSNCOJB-UHFFFAOYSA-N;140.19;0.46;;;;;DOPC;MDCG;27;1;"MARTINI bead: SNa_SP1";;;;;;;0.04;;-5.39;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM412004;MM412004;CCc1occ(C#N)c1N;YVJDIXIYUQYWHU-UHFFFAOYSA-N;136.15;1.3;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC4_SNd";;;;;;;2.2;;0.32;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM412005;MM412005;C=CC(CC)C(N)C=NO;MVCYYPCUQAXCHF-UHFFFAOYSA-N;142.2;0.99;;;;;DOPC;MDCG;27;1;"MARTINI bead: C5_P1";;;;;;;0.81;;-3.3;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM412006;MM412006;C=NOCCC(=CF)OC;XTCPOGKDIPGKAE-UHFFFAOYSA-N;147.15;1.47;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_P1";;;;;;;0.81;;-0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM412007;MM412007;CC(F)(F)C=COC=NN;PLIYYBAZZPBHFJ-UHFFFAOYSA-N;150.13;1.07;;;;;DOPC;MDCG;27;0;"MARTINI bead: N0_Nda";;;;;;;1.17;;-1.13;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM412008;MM412008;Cn1ncc(NO)nc1=O;YJACOAKLNWNFHP-UHFFFAOYSA-N;142.12;-1.02;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP2_SP2";;;;;;;-1.34;;-4.31;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM412009;MM412009;N#Cc1coc(CO)c1N;XTHDHRMWKCBESI-UHFFFAOYSA-N;138.13;0.23;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNda_SNd";;;;;;;0.87;;-1.92;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM412010;MM412010;CCC12CN(C=O)CC1O2;LETSXHKTUHTLBL-UHFFFAOYSA-N;141.17;0.01;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNa_SP1";;;;;;;0.04;;-2.54;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM412011;MM412011;C=CC(CN)C(N)C=NO;RPXBRLKWDLBZQP-UHFFFAOYSA-N;143.19;-0.47;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_P3";;;;;;;-1.1;;-6.63;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM412012;MM412012;C=CC12CCC(O)C1C2;VHBVDSWZFQNAQZ-UHFFFAOYSA-N;124.18;1.33;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNda_SC4";;;;;;;2.2;;0.49;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM412013;MM412013;NN=COC=CC(F)(F)F;RQZMJHRZWUXYGP-UHFFFAOYSA-N;154.09;0.98;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda_N0";;;;;;;1.17;;-1.13;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM412014;MM412014;C#CC(=NN)OC(C)CC;YSHAJTAAFVIZMP-UHFFFAOYSA-N;140.19;0.71;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1_P2";;;;;;;1.8;;0.4;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM412015;MM412015;N#Cc1coc(CF)c1N;PVUGMCSHFMELAS-UHFFFAOYSA-N;140.12;1.2;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC5_SNd";;;;;;;1.64;;0.02;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM412016;MM412016;C=CC(NC)C(C)C=CF;NNYKJVSQWJUTJT-UHFFFAOYSA-N;143.21;1.88;;;;;DOPC;MDCG;27;1;"MARTINI bead: C5_Na";;;;;;;1.64;;-2.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM412017;MM412017;N=CN1CC2OC2(CN)C1;RHMOQMGEYBAMAK-UHFFFAOYSA-N;141.17;-0.99;;;;;DOPC;MDCG;27;1;"MARTINI bead: SP3_SP1";;;;;;;-1.93;;-7.47;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM412018;MM412018;C#CC1CN1C(C)C=O;AFHGRQNKCMANHW-UHFFFAOYSA-N;123.16;-0.11;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_SP3";;;;;;;-1.1;;-4.2;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM412019;MM412019;C=CC1=CC(C#CC)CC1;DNWZZGPMBOOCGN-UHFFFAOYSA-N;132.21;2.53;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC4_SC3";;;;;;;3.9;;0.47;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM412020;MM412020;C#CC(=NN)OC(C)CF;BBUUMISWOWXWLC-UHFFFAOYSA-N;144.15;0.27;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4_P2";;;;;;;1.09;;-0.38;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM412021;MM412021;C=Cc1coc(CC)c1F;JJAQTHQEGIUXNR-UHFFFAOYSA-N;140.16;2.62;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC4_SC5";;;;;;;2.97;;0.45;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM412022;MM412022;NN=C1COC(=O)O1;HFTJJHAOSKYOHK-UHFFFAOYSA-N;116.08;-0.57;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP2_SP1";;;;;;;-1.06;;-3.82;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM412023;MM412023;NCC12CN(C=O)CC1O2;DVZTZAAKIKUFRD-UHFFFAOYSA-N;142.16;-1.45;;;;;DOPC;MDCG;27;1;"MARTINI bead: SP3_SP1";;;;;;;-1.93;;-6.32;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM412024;MM412024;COC(CCNC=O)=NO;RJTIVQNZDVHFSB-UHFFFAOYSA-N;146.15;-0.44;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda_P3";;;;;;;-1.1;;-3.97;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM412025;MM412025;CC#CC1C=C(C=O)CC1;HTCBCWRGDWBBKQ-UHFFFAOYSA-N;134.18;1.55;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC4_SNa";;;;;;;2.2;;0.34;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM412026;MM412026;C=CCC(O)C1CC1;XFQJRACBVRDQSM-UHFFFAOYSA-N;112.17;1.33;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda_SC5";;;;;;;1.64;;0.05;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM412027;MM412027;CCc1occ(C#N)c1F;QFKMZPURQXOTKR-UHFFFAOYSA-N;139.13;1.85;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC4_SNa";;;;;;;2.2;;0.34;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM412028;MM412028;C#CC(=NN)OC(C)C=C;PDOVKYIJELCXNQ-UHFFFAOYSA-N;138.17;0.48;;;;;DOPC;MDCG;27;0;"MARTINI bead: C3_P2";;;;;;;1.46;;-0.15;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM412029;MM412029;C=C(C#N)C1NC1C=O;FUNXWGCZSXGAAJ-UHFFFAOYSA-N;122.13;-0.39;;;;;DOPC;MDCG;27;0;"MARTINI bead: N0_SP2";;;;;;;0.06;;-2.21;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM412030;MM412030;N=CN1CC2OC2(CO)C1;GLIXTVHNQDBZQE-UHFFFAOYSA-N;142.16;-0.96;;;;;DOPC;MDCG;27;1;"MARTINI bead: SP2_SP1";;;;;;;-1.06;;-6.6;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM412031;MM412031;CC#CC1C=C(C#N)CC1;IYEVBYNNSCXCBR-UHFFFAOYSA-N;131.18;1.87;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC4_SN0";;;;;;;2.5;;0.44;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM412032;MM412032;C=CC(NC)C(O)C=NN;WQLMOFRPCJBOPO-UHFFFAOYSA-N;143.19;-0.93;;;;;DOPC;MDCG;27;1;"MARTINI bead: P2_P1";;;;;;;-1.06;;-5.17;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM412033;MM412033;C=Cc1coc(NC)c1C;AOQSJXHKAYCCMZ-UHFFFAOYSA-N;137.18;2.27;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNd_SC4";;;;;;;2.2;;0.32;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM412034;MM412034;NN=C(N=CNO)C(=O)O;LKRFWBJGWUDGCX-UHFFFAOYSA-N;146.11;-1.65;;;;;DOPC;MDCG;27;0;"MARTINI bead: P3_P1";;;;;;;-1.93;;-8.98;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM412035;MM412035;C=NNCCC(=NO)OC;MZPDNWNEQKUUKV-UHFFFAOYSA-N;145.16;0.02;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda_P2";;;;;;;-0.24;;-3.31;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM412036;MM412036;O=CN1CC2OC2(CO)C1;ZOMRBSFHHNSNQK-UHFFFAOYSA-N;143.14;-1.41;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP2_SP1";;;;;;;-1.06;;-3.82;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM412037;MM412037;C=CC1=CC(C#CC)CO1;QHBMXDYVRJSDDC-UHFFFAOYSA-N;134.18;1.73;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC5_SNa";;;;;;;1.64;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM412038;MM412038;CNc1occ(C#N)c1C;RUIRHTHOKHSFRV-UHFFFAOYSA-N;136.15;1.5;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNd_SN0";;;;;;;1.17;;-1.04;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM412039;MM412039;C=CC(OC)C(C)C=CF;XHXGSFYAYZCFHQ-UHFFFAOYSA-N;144.19;2.31;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_C3";;;;;;;2.57;;0.45;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM412040;MM412040;CC(C=O)=CCC(C)(C)O;RLIMEEJXLKGWSD-UHFFFAOYSA-N;142.2;1.29;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_Nda";;;;;;;0.87;;-1.99;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM412041;MM412041;C=NN1CC2OC2(CC)C1;PZFBUKIEMHUSGG-UHFFFAOYSA-N;140.19;0.47;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNa_SP1";;;;;;;0.04;;-2.54;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM412042;MM412042;CNN(C=N)C(=O)C(=O)O;JPBUHGJZTLSICG-UHFFFAOYSA-N;145.12;-1.36;;;;;DOPC;MDCG;27;0;"MARTINI bead: P5_P1";;;;;;;-1.94;;-9.09;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM412043;MM412043;CC#CC1C=C(C=O)OC1;FCBXPZRFNNUSKW-UHFFFAOYSA-N;136.15;0.74;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC5_SNa";;;;;;;1.64;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM412044;MM412044;C=Cc1coc(NC)c1N;XICNWSYXYLNUPV-UHFFFAOYSA-N;138.17;1.55;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNd_SC5";;;;;;;1.64;;0.02;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM412045;MM412045;CC=CC(O)C(C=O)OC;PZYMHPWJJLRSGB-UHFFFAOYSA-N;144.17;0.14;;;;;DOPC;MDCG;27;0;"MARTINI bead: P3_C4";;;;;;;0.23;;-1.03;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM412046;MM412046;C=NN1CC2OC2(CN)C1;JSHUWXKLLZVBMY-UHFFFAOYSA-N;141.17;-0.99;;;;;DOPC;MDCG;27;1;"MARTINI bead: SP3_SP1";;;;;;;-1.93;;-6.41;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM412047;MM412047;O=C(O)C1NC1CO;IBDXLIPJVGRCGY-UHFFFAOYSA-N;117.1;-1.6;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP2_P1";;;;;;;-1.06;;-8.59;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM412048;MM412048;C=COCCC(=NO)OC;PUCCDCPYUDKTEY-UHFFFAOYSA-N;145.16;0.97;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_P2";;;;;;;0.54;;-1.09;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM412049;MM412049;CC#CC1C=C(C#N)OC1;SHTSBIMFWWJYFL-UHFFFAOYSA-N;133.15;1.06;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC5_SNa";;;;;;;1.64;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM412050;MM412050;COC(C=O)C(O)C=CF;UCIWFWCWCJNNKD-UHFFFAOYSA-N;148.13;0.04;;;;;DOPC;MDCG;27;0;"MARTINI bead: P3_C5";;;;;;;-0.33;;-2.01;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM412051;MM412051;CNc1occ(C=O)c1N;JRBPKLFRGVQOOM-UHFFFAOYSA-N;140.14;0.72;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNd_SNa";;;;;;;0.87;;-1.88;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM412052;MM412052;CC#CC(C)C(C)(O)CC;XRRPCZMEEPLGPM-UHFFFAOYSA-N;140.23;1.81;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda_C3";;;;;;;2.57;;0.44;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM412053;MM412053;C#CC(=NN)OC(C)C#C;VSYUCDLACPTIOK-UHFFFAOYSA-N;136.15;-0.07;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_P2";;;;;;;0.54;;-1.09;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM412054;MM412054;COC(CCOC=O)=NO;TWDWIYZFJYUXBP-UHFFFAOYSA-N;147.13;-0.02;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_Na";;;;;;;-0.24;;-3.24;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM412055;MM412055;COC(C#N)C(O)C=CF;LUXHXCZJAHHUOS-UHFFFAOYSA-N;145.13;0.37;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_Nda";;;;;;;0.04;;-2.73;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM412056;MM412056;C=CC1=CC(C#CC)NC1;LOMDZUCUNFESFF-UHFFFAOYSA-N;133.19;1.09;;;;;DOPC;MDCG;27;1;"MARTINI bead: SNd_SP1";;;;;;;0.04;;-4.67;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM412057;MM412057;CNc1occ(C#N)c1N;ATXGSFZOEOOOEP-UHFFFAOYSA-N;137.14;0.78;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNd_SNd";;;;;;;0.87;;-2.11;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM412058;MM412058;C=NN1CC2OC2(CF)C1;ZRKLTJQVUIBKMH-UHFFFAOYSA-N;144.15;0.02;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP1_SP1";;;;;;;-0.79;;-3.13;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM412059;MM412059;C=CCNCC(=CC)CC;JPEKIMWVUHMKJG-UHFFFAOYSA-N;139.24;2.12;;;;;DOPC;MDCG;27;1;"MARTINI bead: C1_Nd";;;;;;;2.91;;0.21;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM412060;MM412060;C#CC(=NN)OCC(C)C;CFJIZKGVVCMGKJ-UHFFFAOYSA-N;140.19;0.56;;;;;DOPC;MDCG;27;0;"MARTINI bead: C3_P2";;;;;;;1.46;;-0.15;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM412061;MM412061;CC#CC1C=C(C=O)CN1;IWDVBAWMOCPJBC-UHFFFAOYSA-N;135.17;0.11;;;;;DOPC;MDCG;27;1;"MARTINI bead: SNd_SP1";;;;;;;0.04;;-4.03;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM412062;MM412062;COC(C=O)C(C)C=NO;YFOIGQXOFHSYSE-UHFFFAOYSA-N;145.16;0.3;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_Nda";;;;;;;0.04;;-2.73;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM412063;MM412063;C=Cc1coc(OC)c1C;NVOQTJXIGPUGSY-UHFFFAOYSA-N;138.17;2.24;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC5_SC5";;;;;;;2.41;;0.64;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM412064;MM412064;COC(=N)NC(=N)C=NN;KQHDCTFREXEQDJ-UHFFFAOYSA-N;143.15;-0.92;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_P2";;;;;;;-1.34;;-4.31;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM412065;MM412065;C#CC(=NN)OCC(C)F;RNFXXVVUQHOJLX-UHFFFAOYSA-N;144.15;0.27;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_P2";;;;;;;0.54;;-1.09;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM412066;MM412066;CC=C(CC)CNCC#N;BPVRYERWYPPOHX-UHFFFAOYSA-N;138.21;1.46;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1_P2";;;;;;;1.8;;0.41;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM412067;MM412067;COC(C#N)C(C)C=NO;UCBJNWJINFLGEX-UHFFFAOYSA-N;142.16;0.62;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_Nda";;;;;;;0.04;;-2.73;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM412068;MM412068;C=CC1=CC(C#CC)OC1;QBRIKCNERYZHPD-UHFFFAOYSA-N;134.18;1.52;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC5_SN0";;;;;;;1.94;;0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM412069;MM412069;COc1occ(C=O)c1C;QVPKNICDUJSIAN-UHFFFAOYSA-N;140.14;1.41;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNa_SNa";;;;;;;0.87;;-2.22;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM412070;MM412070;CCC12CC(C#N)CN1C2;ALIRDFUHEYDGDB-UHFFFAOYSA-N;136.2;0.99;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNd_SP1";;;;;;;0.04;;-2.63;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM412071;MM412071;C#CC(=NN)OCC(=C)C;GZEFXVXXPKLUES-UHFFFAOYSA-N;138.17;0.48;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4_P2";;;;;;;1.09;;-0.38;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM412072;MM412072;C=CCNCC(=CF)CC;URENZRASJZZSMP-UHFFFAOYSA-N;143.21;2.03;;;;;DOPC;MDCG;27;1;"MARTINI bead: C2_P1";;;;;;;2;;-0.1;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM412073;MM412073;CC#CC1C=C(C=O)CO1;ZZLBCYRKXKIIDA-UHFFFAOYSA-N;136.15;0.53;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC5_SP1";;;;;;;0.81;;-0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM412074;MM412074;C=CC(CN)N(C)C=NC;KWUNNAHIVNVRAA-UHFFFAOYSA-N;141.22;0.09;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_P2";;;;;;;-0.24;;-5.97;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM412075;MM412075;COc1occ(C#N)c1C;KDHJGUFEPJYHBX-UHFFFAOYSA-N;137.14;1.47;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNa_SN0";;;;;;;1.17;;-1.18;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM412076;MM412076;C#CC1CC2CC2(CC)C1;HAAWBXSMSABGKA-UHFFFAOYSA-N;134.22;2.45;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC2_SC4";;;;;;;4.16;;0.44;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM412077;MM412077;C#CC(=NN)OCC(=C)F;KTJWSWRHCDUZAE-UHFFFAOYSA-N;142.13;0.39;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_C5";;;;;;;0.54;;-1.09;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM412078;MM412078;CCC(=CF)CNCC#N;JEDUSOXPLAMCGG-UHFFFAOYSA-N;142.18;1.36;;;;;DOPC;MDCG;27;0;"MARTINI bead: C2_P3";;;;;;;0.86;;-0.3;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM412079;MM412079;CC#CC1C=C(C#N)CO1;ORXFLXMXNRGKSQ-UHFFFAOYSA-N;133.15;0.86;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC5_SP1";;;;;;;0.81;;-0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM412080;MM412080;C=Cc1coc(OC)c1N;UBQINPVBONPRBC-UHFFFAOYSA-N;139.15;1.51;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNa_SNd";;;;;;;0.87;;-1.88;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM412081;MM412081;CCC(=O)C1NC1(C)C;VUGWIKZPOKORNG-UHFFFAOYSA-N;127.19;0.72;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_SNd";;;;;;;0.87;;-1.88;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM412082;MM412082;C#CC1CC2CC2(CN)C1;KZQVDLZQUPWUAH-UHFFFAOYSA-N;135.21;0.99;;;;;DOPC;MDCG;27;1;"MARTINI bead: SNd_SC4";;;;;;;2.2;;-1.91;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM412083;MM412083;N=c1[nH]c(=NO)nnn1O;RKCPSTSKXFZCKK-UHFFFAOYSA-N;144.09;-2.39;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP3_SP3";;;;;;;-3.07;;-6.15;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM412084;MM412084;C=CCNCC(=CF)CN;SXPPMWUTLIBQKA-UHFFFAOYSA-N;144.19;0.57;;;;;DOPC;MDCG;27;1;"MARTINI bead: P2_Na";;;;;;;-0.24;;-5.13;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM412085;MM412085;COc1occ(C#N)c1N;USBATLBFRLSHCP-UHFFFAOYSA-N;138.13;0.74;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNa_SNd";;;;;;;0.87;;-1.88;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM412086;MM412086;C#CC1=CC(C#CC)CC1;HMJDMXZZRONKIQ-UHFFFAOYSA-N;130.19;1.98;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC4_SC5";;;;;;;2.97;;0.45;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM412087;MM412087;C=CC(C)CC(O)CC;SITARXSKKLYWRW-UHFFFAOYSA-N;128.22;1.97;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda_C3";;;;;;;2.57;;0.44;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM412088;MM412088;CCC12CC1CC(C)(O)C2;PLRGCEMQNFTOCY-UHFFFAOYSA-N;140.23;1.95;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC3_SNda";;;;;;;2.57;;0.44;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM412089;MM412089;C#CC(NC=NN)C(=O)O;DXOUWZVQYNEJHS-UHFFFAOYSA-N;141.13;-1.44;;;;;DOPC;MDCG;27;0;"MARTINI bead: P3_Nda";;;;;;;-1.1;;-8.35;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM412090;MM412090;C#CCC(F)=CC=NOC;KOMDGPRFHINBBH-UHFFFAOYSA-N;141.15;1.5;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_C5";;;;;;;0.81;;-0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM412091;MM412091;C=CC(CO)N(O)C=NO;AFIBJEMTGALIQD-UHFFFAOYSA-N;146.15;-0.36;;;;;DOPC;MDCG;27;0;"MARTINI bead: N0_P3";;;;;;;-0.8;;-2.99;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM412092;MM412092;C=CCNCC(=CC)CO;IIBOAUMGMOPHJB-UHFFFAOYSA-N;141.21;0.7;;;;;DOPC;MDCG;27;1;"MARTINI bead: C5_P1";;;;;;;0.81;;-1.81;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM412093;MM412093;C#CC1=CC(C#CC)CO1;IURUPOCAXUKBMC-UHFFFAOYSA-N;132.16;1.17;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC5_SNa";;;;;;;1.64;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM412094;MM412094;C#CC1CC2CC2(CF)C1;RWAYUKXNNFSDBI-UHFFFAOYSA-N;138.19;2.01;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC5_SC4";;;;;;;2.97;;0.45;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM412095;MM412095;NC(=O)NC(=O)C(=O)O;UWBHMRBRLOJJAA-UHFFFAOYSA-N;132.08;-1.73;;;;;DOPC;MDCG;27;0;"MARTINI bead: P4_P1";;;;;;;-2.01;;-9.04;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM412096;MM412096;C=NNC(=N)C(C)OCC;TXNKYFARQBREFN-UHFFFAOYSA-N;143.19;0.59;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_P2";;;;;;;0.54;;-1.09;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM412097;MM412097;C=C(F)CC#CC=NN;VTAJVEGOJKTJPU-UHFFFAOYSA-N;126.13;0.81;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_C5";;;;;;;0.81;;-0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM412098;MM412098;C#CC1=CC(C#CC)NC1;JEHAZSSCRUFXRQ-UHFFFAOYSA-N;131.18;0.54;;;;;DOPC;MDCG;27;1;"MARTINI bead: SNd_SP1";;;;;;;0.04;;-4.07;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM412099;MM412099;N#Cc1noc(C#N)c1O;GDZSAZJXXZNZIN-UHFFFAOYSA-N;135.08;0.12;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNa_SNda";;;;;;;0.87;;-6.99;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM412100;MM412100;C=CCNCC(=CF)CF;SFARQVBVIIGGFR-UHFFFAOYSA-N;147.17;1.58;;;;;DOPC;MDCG;27;1;"MARTINI bead: C5_P1";;;;;;;0.81;;-1.53;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM412101;MM412101;C#CC1CC2CC2(NC)C1;FULHIRQDGQNRIW-UHFFFAOYSA-N;135.21;1.01;;;;;DOPC;MDCG;27;1;"MARTINI bead: SNd_SC4";;;;;;;2.2;;-2.3;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM412102;MM412102;N#CC(CF)N(O)C=NO;QIXAAJYJURYSQC-UHFFFAOYSA-N;147.11;-0.04;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_Na";;;;;;;-0.24;;-3.24;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM412103;MM412103;C=NOCCC(=O)C(=C)C;FFXXMNJGEORIFW-UHFFFAOYSA-N;141.17;1.15;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_Na";;;;;;;0.87;;-2.22;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM412104;MM412104;CC(C=O)=NNC(C)(C)C;RRCSHRXMWZHCFS-UHFFFAOYSA-N;142.2;0.95;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_C3";;;;;;;1.74;;0.29;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM412105;MM412105;C#CC1=CC(C#CC)OC1;APBYIXJAQDKMEP-UHFFFAOYSA-N;132.16;0.97;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC5_SN0";;;;;;;1.94;;0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM412106;MM412106;N=Cn1onc(O)c1=O;HNARZCKSDDNQNC-UHFFFAOYSA-N;129.08;-1;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP1_SP3";;;;;;;-1.93;;-8.98;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM412107;MM412107;C#CC1CC2(CN)CC2N1;XXENHKYECFHBIU-UHFFFAOYSA-N;136.2;-0.3;;;;;DOPC;MDCG;27;1;"MARTINI bead: SP2_SNd";;;;;;;-0.24;;-5.5;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM412108;MM412108;C=CCCC(O)CCC;MJWKMORBWQZWOT-UHFFFAOYSA-N;128.22;2.11;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda_C3";;;;;;;2.57;;0.44;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM412109;MM412109;COC(=O)ONC(=N)C#N;JVUADJCYXDSSBF-UHFFFAOYSA-N;143.1;-0.23;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_P2";;;;;;;-0.24;;-3.24;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM412110;MM412110;CC=C(CN)CNNC=N;YOSBKUHWKHATJM-UHFFFAOYSA-N;142.21;-0.41;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_P4";;;;;;;-1.19;;-7.67;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM412111;MM412111;N=c1c(N)non1C(=O)O;IVBMSZLALPDQDO-UHFFFAOYSA-N;144.09;-0.94;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP1_SP4";;;;;;;-2.01;;-9.04;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM412112;MM412112;CCC=C1C=C(CC)CC1;RXHNUEGQEKRWNL-UHFFFAOYSA-N;136.24;3.45;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC2_SC2";;;;;;;4.78;;0.59;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM412113;MM412113;C#CC1CC2(CO)CC2N1;FTBBAGYYYDLIPG-UHFFFAOYSA-N;137.18;-0.27;;;;;DOPC;MDCG;27;1;"MARTINI bead: SP2_SNd";;;;;;;-0.24;;-4.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM412114;MM412114;CCN(C=N)C(C)C=CF;HHVINCOAPNSLNN-UHFFFAOYSA-N;144.19;1.79;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_C5";;;;;;;1.64;;-3.48;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM412115;MM412115;CC=C(CN)CNNC=O;DGYBMGIXNOXGNP-UHFFFAOYSA-N;143.19;-0.86;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_P4";;;;;;;-1.19;;-6.47;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM412116;MM412116;N#CC(=O)ONC(=N)C=O;IVRCMSGEKSNVQI-UHFFFAOYSA-N;141.09;-1.27;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_Nda";;;;;;;-0.24;;-3.31;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM412117;MM412117;CCC1=CC(=CCN)CC1;BOHMMXXFWRLGJP-UHFFFAOYSA-N;137.23;2;;;;;DOPC;MDCG;27;1;"MARTINI bead: SC2_SNd";;;;;;;2.83;;-0.23;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM412118;MM412118;O=c1[nH][nH]c(=NO)nc1F;HPQAMSAFKLGOIV-UHFFFAOYSA-N;146.08;-1.47;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP3_SP3";;;;;;;-3.07;;-10.21;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM412119;MM412119;C#CC1CC2(NC)CC2N1;FBGKEVUIVCRPKA-UHFFFAOYSA-N;136.2;-0.29;;;;;DOPC;MDCG;27;1;"MARTINI bead: SP2_SNd";;;;;;;-0.24;;-5.09;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM412120;MM412120;CCN(C=N)C(C)C=NO;COUHQVRPCJGKNI-UHFFFAOYSA-N;143.19;0.76;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_P1";;;;;;;0.04;;-6.22;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM412121;MM412121;N=C(C=O)NNC=CC=O;UILCOMRYNAREMF-UHFFFAOYSA-N;141.13;-1.03;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_P2";;;;;;;-1.34;;-4.31;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM412122;MM412122;C=CC(C)(O)C(C)=C(C)C;PWUAKTAULXZIQY-UHFFFAOYSA-N;140.23;2.28;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1_Nda";;;;;;;2.91;;0.57;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM412123;MM412123;CCC1=CC(=CCO)CC1;AOEDGRMOBPLBLC-UHFFFAOYSA-N;138.21;2.04;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC2_SNda";;;;;;;2.83;;0.57;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM412124;MM412124;C#Cc1n[nH]c(O)c1F;SVOVHPKEDVOXII-UHFFFAOYSA-N;126.09;0.24;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNda_SNda";;;;;;;0.87;;-7.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM412125;MM412125;C#CC1CC2CC2(CC)N1;BHPVMGHSYVKYRJ-UHFFFAOYSA-N;135.21;1.15;;;;;DOPC;MDCG;27;1;"MARTINI bead: SNd_SP1";;;;;;;0.04;;-5.28;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM412126;MM412126;C=NN(CC)C(C)C=CC;UZLADGUEXUABQZ-UHFFFAOYSA-N;140.23;1.89;;;;;DOPC;MDCG;27;0;"MARTINI bead: N0_C4";;;;;;;2.5;;0.44;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM412127;MM412127;C=NNC=NC=C(F)CF;YDSQNNAFEHBXMQ-UHFFFAOYSA-N;147.13;1;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_P2";;;;;;;0.54;;-1.09;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM412128;MM412128;CCC(CNCC#N)=NO;XHLREQLDJAHNMX-UHFFFAOYSA-N;141.17;0.34;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda_P2";;;;;;;-0.24;;-3.31;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM412129;MM412129;CNC(C=O)C(C#N)=NO;IYQWUFIWHZSDKC-UHFFFAOYSA-N;141.13;-0.87;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_P2";;;;;;;-1.34;;-9.11;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM412130;MM412130;CCC=C1C=C(CN)CC1;XQMLGFCDVZLPFQ-UHFFFAOYSA-N;137.23;2;;;;;DOPC;MDCG;27;1;"MARTINI bead: SC2_SNd";;;;;;;2.83;;-0.23;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM412131;MM412131;C#CC1CC2CC2(CN)N1;MLTINVBVDZXBGO-UHFFFAOYSA-N;136.2;-0.3;;;;;DOPC;MDCG;27;1;"MARTINI bead: SP2_SP1";;;;;;;-1.06;;-6.16;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM412132;MM412132;COc1[nH]nc(C#N)c1C;QUBVVQAZLVNAAM-UHFFFAOYSA-N;137.14;0.6;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNda_SNda";;;;;;;0.87;;-2.07;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM412133;MM412133;C=NN(CC)C(C)C=CF;BAHFKFLLAOMAKQ-UHFFFAOYSA-N;144.19;1.8;;;;;DOPC;MDCG;27;0;"MARTINI bead: N0_C5";;;;;;;1.94;;0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM412134;MM412134;C#CC(=NOC)C(=O)O;UKYQVSHSGFXZDR-UHFFFAOYSA-N;127.1;-0.29;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_P1";;;;;;;0.04;;-7.27;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM412135;MM412135;C=C1C(=O)CC(=O)C1=O;SANZWPULSWYTQX-UHFFFAOYSA-N;124.1;-0.35;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNa_SNa";;;;;;;0.87;;-7.2;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM412136;MM412136;NCC=C1C=C(CN)CC1;OFPMEMBTXCIASH-UHFFFAOYSA-N;138.21;0.55;;;;;DOPC;MDCG;27;1;"MARTINI bead: SNd_SNd";;;;;;;0.87;;-4.65;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM412137;MM412137;C#CC1CC2CC2(CO)N1;OXMKXIHZGXLXJZ-UHFFFAOYSA-N;137.18;-0.27;;;;;DOPC;MDCG;27;1;"MARTINI bead: SP2_SP1";;;;;;;-1.06;;-5.72;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM412138;MM412138;CNN(C=N)C(C)C=CF;RHDRFBYODKROHJ-UHFFFAOYSA-N;145.18;0.9;;;;;DOPC;MDCG;27;1;"MARTINI bead: P3_C5";;;;;;;-0.33;;-3.83;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM412139;MM412139;C=NNC(C=O)=C(C)C#N;GXPWUTDTRUJFHG-UHFFFAOYSA-N;137.14;0.19;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_C5";;;;;;;0.54;;-1.09;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM412140;MM412140;CCC(CNNC=O)=NO;VAECESXYHPXFOS-UHFFFAOYSA-N;145.16;-0.52;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda_P4";;;;;;;-1.19;;-4.91;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM412141;MM412141;NCC1=CC(=CCO)CC1;GRVADRXLOFVEOM-UHFFFAOYSA-N;139.2;0.58;;;;;DOPC;MDCG;27;1;"MARTINI bead: SNd_SNda";;;;;;;0.87;;-4.15;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM412142;MM412142;C#CC1CC2CC2(CC)O1;XOVGHGNBVMKPLF-UHFFFAOYSA-N;136.19;1.58;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNa_SN0";;;;;;;1.17;;-1.18;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM412143;MM412143;COC(C#CC(C)C)=NN;ORMJAIBHBKNNEH-UHFFFAOYSA-N;140.19;0.56;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_C4";;;;;;;1.37;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM412144;MM412144;COc1[nH]nc(C#N)c1N;FCTDASZJDLYXPU-UHFFFAOYSA-N;138.13;-0.13;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNda_SP1";;;;;;;0.04;;-2.73;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM412145;MM412145;CNN=C(C)OCOC;DDXBECAOVDETGW-UHFFFAOYSA-N;132.16;0.16;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nd_P2";;;;;;;-0.24;;-3.16;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM412146;MM412146;C=CCNCC(=NN)NC;DLMLFBLNNAMSPP-UHFFFAOYSA-N;142.21;-0.75;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1_P1";;;;;;;-0.79;;-4.28;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM412147;MM412147;CCOC(C)(C)OC=NN;LDYCDKSTKKHXMV-UHFFFAOYSA-N;146.19;0.68;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_P1";;;;;;;0.81;;-0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM412148;MM412148;C#CC1CC2CC2(CN)O1;PMGOTPGGJROYFW-UHFFFAOYSA-N;137.18;0.13;;;;;DOPC;MDCG;27;1;"MARTINI bead: SP2_SN0";;;;;;;0.06;;-4.32;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM412149;MM412149;Cn1ncc(=NO)oc1=N;XTGUWWPYUHXLRC-UHFFFAOYSA-N;142.12;-1.22;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP2_SP3";;;;;;;-2.2;;-5.19;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM412150;MM412150;CNC(C#N)C(C#N)=NO;NVFANJBNALJZLD-UHFFFAOYSA-N;138.13;-0.55;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_P2";;;;;;;-1.34;;-9.58;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM412151;MM412151;C#CC(CC)C(C)C=CF;NPAGLGRWZCUFIF-UHFFFAOYSA-N;140.2;2.77;;;;;DOPC;MDCG;27;0;"MARTINI bead: C3_C3";;;;;;;4.27;;0.2;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM412152;MM412152;N#CCNCC(=NO)NO;MRQARFKGYSNHST-UHFFFAOYSA-N;144.13;-1.13;;;;;DOPC;MDCG;27;0;"MARTINI bead: P5_P1";;;;;;;-1.94;;-5.95;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM412153;MM412153;C#CC1CC2CC2(CO)O1;CDWWEXUQSMNXOQ-UHFFFAOYSA-N;138.17;0.16;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP2_SN0";;;;;;;0.06;;-2.21;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM412154;MM412154;NCC=C1C=C(CO)CC1;WJZOLKFLTXJKPH-UHFFFAOYSA-N;139.2;0.58;;;;;DOPC;MDCG;27;1;"MARTINI bead: SNd_SNda";;;;;;;0.87;;-4.15;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM412155;MM412155;CCC1(CO)CCC1(C)C;XYIVGKFERIQTFL-UHFFFAOYSA-N;142.24;2.2;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC5_SC3";;;;;;;3.34;;0.48;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM412156;MM412156;C=Cc1noc(CC)c1C;VGBKPXCPQFFRKS-UHFFFAOYSA-N;137.18;2.19;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC5_SNa";;;;;;;1.64;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM412157;MM412157;C#CC(CF)C(C)C=CF;YIPCGFUENIMXBF-UHFFFAOYSA-N;144.16;2.32;;;;;DOPC;MDCG;27;0;"MARTINI bead: C3_Na";;;;;;;2.57;;0.45;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM412158;MM412158;C#CC1CC2CC2(OC)O1;CGWZIGWGBIOIFK-UHFFFAOYSA-N;138.17;0.77;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNa_SNa";;;;;;;0.87;;-2.22;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM412159;MM412159;CN=C(CNNC=N)NC;JQVWBFDTLGJKQK-UHFFFAOYSA-N;143.19;-1.06;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1_P4";;;;;;;-2.01;;-8.22;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM412160;MM412160;OCC=C1C=C(CO)CC1;ZNFMIKHTHRYMCA-UHFFFAOYSA-N;140.18;0.62;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNda_SNda";;;;;;;0.87;;-2.07;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM412161;MM412161;N=c1oc(=NO)cnn1N;JYSXTHZQXMTTHB-UHFFFAOYSA-N;143.11;-2.04;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP2_SP3";;;;;;;-2.2;;-5.19;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM412162;MM412162;C=Cc1noc(CO)c1C;TVLMVMHEYJQSMF-UHFFFAOYSA-N;139.15;1.12;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNda_SNa";;;;;;;0.87;;-1.99;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM412163;MM412163;C#CC(CC)C(N)C=CF;GQLAMBYVMSWSOS-UHFFFAOYSA-N;141.19;1.46;;;;;DOPC;MDCG;27;1;"MARTINI bead: C3_P1";;;;;;;1.74;;-1.43;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM412164;MM412164;C#CC1OC2CC2(CC)O1;BEEURJLACNRJTG-UHFFFAOYSA-N;138.17;0.91;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNa_SP1";;;;;;;0.04;;-2.54;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM412165;MM412165;CN=C(CNNC=O)NC;MLGQKMNFOPLNSF-UHFFFAOYSA-N;144.18;-1.52;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_P4";;;;;;;-1.19;;-7.72;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM412166;MM412166;CCC=C1C=C(CF)CC1;IEXPHHXKRUKOIH-UHFFFAOYSA-N;140.2;3.01;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC2_SC5";;;;;;;3.6;;0.34;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM412167;MM412167;C=NOC(=NN)N(N)C=O;CSGBNMYPSVFXDA-UHFFFAOYSA-N;145.12;-1.82;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_P2";;;;;;;-1.06;;-3.82;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM412168;MM412168;CCc1onc(C=O)c1C;GCORZWAWSJZFGN-UHFFFAOYSA-N;139.15;1.36;;;;;DOPC;MDCG;27;0;"MARTINI bead: SN0_SNa";;;;;;;1.17;;-1.18;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM412169;MM412169;C#CC(CN)C(N)C=CC;UTBKHZUPJWJZQG-UHFFFAOYSA-N;138.21;0.1;;;;;DOPC;MDCG;27;1;"MARTINI bead: C4_P3";;;;;;;0.23;;-3.29;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM412170;MM412170;C#CC1CC2NC2(CN)C1;NXTSRSWSZNGSMN-UHFFFAOYSA-N;136.2;-0.3;;;;;DOPC;MDCG;27;1;"MARTINI bead: SP2_SC4";;;;;;;1.09;;-2.32;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM412171;MM412171;COC(=CF)CNCC#N;MHNNNIYUHCCWTB-UHFFFAOYSA-N;144.15;0.56;;;;;DOPC;MDCG;27;0;"MARTINI bead: N0_P2";;;;;;;0.06;;-2.21;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM412172;MM412172;N=c1oc(=NO)cnn1O;XIOHFZDKXLGCMJ-UHFFFAOYSA-N;144.09;-1.52;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP3_SP2";;;;;;;-2.2;;-5.19;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM412173;MM412173;NCC=C1C=C(CF)CC1;DFSXFMLTSPKFRH-UHFFFAOYSA-N;141.19;1.56;;;;;DOPC;MDCG;27;1;"MARTINI bead: SNd_SC5";;;;;;;1.64;;-2.13;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM412174;MM412174;CCc1onc(C#N)c1C;CHXSXGIDXQNLSN-UHFFFAOYSA-N;136.15;1.42;;;;;DOPC;MDCG;27;0;"MARTINI bead: SN0_SNa";;;;;;;1.17;;-1.18;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM412175;MM412175;C#CC(CF)C(N)C=CC;XPGZVJRJVDKUFP-UHFFFAOYSA-N;141.19;1.11;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_Na";;;;;;;0.87;;-3.98;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM412176;MM412176;C#CC1CC2OC2(CC)C1;PXPFWPPKTNJHCQ-UHFFFAOYSA-N;136.19;1.58;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC5_SC4";;;;;;;2.97;;0.45;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM412177;MM412177;C=CC(O)(C=C)CC(C)C;FFHQNCVLXOZULP-UHFFFAOYSA-N;140.23;2.14;;;;;DOPC;MDCG;27;0;"MARTINI bead: C3_Nda";;;;;;;2.57;;0.44;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM412178;MM412178;CC#CC(=NN)OCCC;OAKPIEQELUYNCB-UHFFFAOYSA-N;140.19;0.71;;;;;DOPC;MDCG;27;0;"MARTINI bead: C3_Nda";;;;;;;2.57;;0.44;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM412179;MM412179;OCC=C1C=C(CF)CC1;DRRULSKATGSUEY-UHFFFAOYSA-N;142.17;1.59;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNda_SC5";;;;;;;1.64;;0.05;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM412180;MM412180;Cc1c(C=O)noc1CF;KNYOAUCHWJIZPI-UHFFFAOYSA-N;143.12;1.27;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNa_SNa";;;;;;;0.87;;-2.22;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM412181;MM412181;CC=COC(C)=NNC;MVBGEIVRTPAKQM-UHFFFAOYSA-N;128.18;1.09;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_C4";;;;;;;1.09;;-0.38;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM412182;MM412182;C#CC1CN2CC2(CN)C1;KOWZFEFDCRIABM-UHFFFAOYSA-N;136.2;-0.35;;;;;DOPC;MDCG;27;1;"MARTINI bead: SP1_SP1";;;;;;;-0.79;;-5.13;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM412183;MM412183;COC(CNCC=O)=NO;LGFKWRHJHFZXKJ-UHFFFAOYSA-N;146.15;-0.79;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_P2";;;;;;;-1.34;;-4.31;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM412184;MM412184;Cn1ncc(=NO)oc1=O;ZMBVSSCVKDDZGS-UHFFFAOYSA-N;143.1;-1.34;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP2_SP3";;;;;;;-2.2;;-5.19;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM412185;MM412185;COC=C1C=C(CN)CC1;PMGDDOGOVNWYKU-UHFFFAOYSA-N;139.2;1.2;;;;;DOPC;MDCG;27;1;"MARTINI bead: SC4_SNd";;;;;;;2.2;;-1.66;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM412186;MM412186;Cc1c(C#N)noc1CF;OJFPPKYLILDQHT-UHFFFAOYSA-N;140.12;1.32;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNa_SNa";;;;;;;0.87;;-2.22;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM412187;MM412187;C#CC(CO)C(C)C=NO;SDGPMFVTLXEXKM-UHFFFAOYSA-N;141.17;0.32;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_Nda";;;;;;;0.04;;-2.73;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM412188;MM412188;C=CC12CC(CC)CC1C2;CRPIQPZMWDQJQC-UHFFFAOYSA-N;136.24;3;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC1_SC4";;;;;;;4.24;;0.42;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM412189;MM412189;COC(CNNC=O)=NN;GNYJXVJCWAIMSY-UHFFFAOYSA-N;146.15;-1.84;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda_P4";;;;;;;-1.19;;-4.91;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM412190;MM412190;CC#CC(=NN)OCCF;VITALDOQHYGDPB-UHFFFAOYSA-N;144.15;0.27;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda_Na";;;;;;;0.87;;-1.99;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM412191;MM412191;CCC=C1C=C(OC)CC1;ISCZDVXVRJRPKG-UHFFFAOYSA-N;138.21;2.65;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC2_SC5";;;;;;;3.6;;0.34;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM412192;MM412192;C=CC(=O)CC1C(C)N1C;BOWCGRXMRIBEDE-UHFFFAOYSA-N;139.2;0.83;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNd_Na";;;;;;;0.87;;-1.88;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM412193;MM412193;C#CC(CF)C(C)C=NN;CZJVONJMKVDXMV-UHFFFAOYSA-N;142.18;0.79;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nd_Na";;;;;;;0.87;;-1.88;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM412194;MM412194;Nn1ncc(=NO)oc1=O;SINUUSLIIJWSFF-UHFFFAOYSA-N;144.09;-2.16;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP2_SP3";;;;;;;-2.2;;-5.19;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM412195;MM412195;C=CC12CC(CN)CC1C2;HGTUNRMZSBWJML-UHFFFAOYSA-N;137.23;1.55;;;;;DOPC;MDCG;27;1;"MARTINI bead: SC5_SC4";;;;;;;2.97;;-0.07;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM412196;MM412196;C=CCOCC(=CC)CC;KJHUPTLTMYOKMN-UHFFFAOYSA-N;140.23;2.55;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1_Na";;;;;;;2.91;;0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM412197;MM412197;COC1=CC(=CCN)CC1;TXCRETKFARQKJM-UHFFFAOYSA-N;139.2;1.2;;;;;DOPC;MDCG;27;1;"MARTINI bead: SC5_SNd";;;;;;;1.64;;-2.13;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM412198;MM412198;C=Cc1noc(CO)c1N;AVXXLQDZJFCJSJ-UHFFFAOYSA-N;140.14;0.39;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP2_SNa";;;;;;;-0.24;;-3.24;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM412199;MM412199;C#CC(CF)C(C)C=NO;QRPTYYCTMNDKGG-UHFFFAOYSA-N;143.16;1.3;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda_Na";;;;;;;0.87;;-1.99;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM412200;MM412200;CC(C(=O)O)C(C#N)C=O;ZAWVCWUPUMWCOV-UHFFFAOYSA-N;141.13;0.05;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_P1";;;;;;;0.04;;-7.49;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM412202;MM412202;CC=C(CC)COCC=O;HKLWMWQGPLNPSZ-UHFFFAOYSA-N;142.2;1.56;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1_P1";;;;;;;2.08;;0.48;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM412201;MM412201;CON=C(C)NNCC#N;MFULPQKJEDZULM-UHFFFAOYSA-N;142.16;-0.42;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_P1";;;;;;;-0.79;;-3.13;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM412203;MM412203;N=c1nnc(N)c(C=O)o1;ULJFREXLUHBLIK-UHFFFAOYSA-N;140.1;-1.06;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP3_SP3";;;;;;;-3.07;;-6.15;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM412204;MM412204;COC1=CC(=CCO)CC1;DKMSAFCIHXFKNW-UHFFFAOYSA-N;140.18;1.23;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC5_SNda";;;;;;;1.64;;0.05;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM412205;MM412205;C=CC(C)C(C)C(C)O;OBFQIDWDZWZMGD-UHFFFAOYSA-N;128.22;1.83;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda_C3";;;;;;;2.57;;0.44;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM412206;MM412206;CC=C(CC)COCC#N;PLXUCJCVDQRZJE-UHFFFAOYSA-N;139.2;1.88;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1_P1";;;;;;;2.08;;0.48;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM412207;MM412207;O=CN(C=O)N=CC(=O)O;ISBAFNQPSJQEQX-UHFFFAOYSA-N;144.09;-1.33;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_P2";;;;;;;-1.06;;-8.6;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM412208;MM412208;C=CC12CC(CF)CC1C2;AIROJOKSTJHXTE-UHFFFAOYSA-N;140.2;2.56;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC3_SC4";;;;;;;3.9;;0.47;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM412209;MM412209;C#CC(CC)C(F)C=NN;YLRSYCACKNHYLL-UHFFFAOYSA-N;142.18;0.93;;;;;DOPC;MDCG;27;0;"MARTINI bead: C3_P1";;;;;;;1.74;;0.29;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM412210;MM412210;CCc1onc(C#N)c1N;VMVCEOWFMGCOAG-UHFFFAOYSA-N;137.14;0.69;;;;;DOPC;MDCG;27;0;"MARTINI bead: SN0_SNda";;;;;;;1.17;;-1.13;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM412211;MM412211;CCC=C1C=C(CC)OC1;SEWCKLJHEMOVOU-UHFFFAOYSA-N;138.21;2.65;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC5_SC5";;;;;;;2.41;;0.64;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM412212;MM412212;C=CCOCC(=CF)CC;DVZJDEZQTSYYMY-UHFFFAOYSA-N;144.19;2.45;;;;;DOPC;MDCG;27;0;"MARTINI bead: C3_Na";;;;;;;2.57;;0.45;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM412213;MM412213;CN=c1nnn(C)c(=N)o1;CEWHUFABSNJLIG-UHFFFAOYSA-N;141.13;-1.58;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP2_SP3";;;;;;;-2.2;;-5.19;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM412214;MM412214;C#CC(OC)C(C)C=NN;IQUJTEKJVQXWPU-UHFFFAOYSA-N;140.19;0.22;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_P1";;;;;;;0.81;;-0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM412215;MM412215;CCC1CC2CC2(C=O)C1;RDLXEXMNMBWXLN-UHFFFAOYSA-N;138.21;2.01;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC1_SNa";;;;;;;2.91;;0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM412216;MM412216;N#Cc1noc(CO)c1N;KVEFXEUFLHBJJO-UHFFFAOYSA-N;139.11;-0.38;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP1_SNda";;;;;;;0.04;;-2.73;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM412217;MM412217;CCC1=CC(=CCN)CO1;CIDCYABPYHCCPT-UHFFFAOYSA-N;139.2;1.2;;;;;DOPC;MDCG;27;1;"MARTINI bead: SC5_SP1";;;;;;;0.81;;-2.71;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM412218;MM412218;CCC(=CF)COCC=O;SFWQBYCPTYCAAT-UHFFFAOYSA-N;146.16;1.47;;;;;DOPC;MDCG;27;0;"MARTINI bead: C2_P2";;;;;;;1.72;;0.27;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM412219;MM412219;C#CCOC(C#CC)=NN;SFNSSSJCLCAKSP-UHFFFAOYSA-N;136.15;-0.07;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda_N0";;;;;;;1.17;;-1.13;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM412220;MM412220;C#CC(CC)N(C)C=NC;ASBLSCXBZIBUTI-UHFFFAOYSA-N;138.21;0.99;;;;;DOPC;MDCG;27;1;"MARTINI bead: C3_P1";;;;;;;1.74;;-1.33;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM412221;MM412221;N#Cc1nc(=O)onc1O;SJLHQJKAUBQPTB-UHFFFAOYSA-N;139.07;-0.99;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP3_SP2";;;;;;;-2.2;;-9.63;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM412222;MM412222;C#CCC(=O)N(N)C=NN;IYJWJFBSNAWBGN-UHFFFAOYSA-N;140.15;-1.39;;;;;DOPC;MDCG;27;0;"MARTINI bead: P4_N0";;;;;;;-0.88;;-3.74;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM412223;MM412223;CCC=C1C=C(CN)OC1;AQVITNNEVHCYOP-UHFFFAOYSA-N;139.2;1.2;;;;;DOPC;MDCG;27;1;"MARTINI bead: SC5_SP2";;;;;;;0.54;;-2.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM412224;MM412224;CCC(=CF)COCC#N;UHRNJJRJKSTHNC-UHFFFAOYSA-N;143.16;1.79;;;;;DOPC;MDCG;27;0;"MARTINI bead: C2_P3";;;;;;;0.86;;-0.3;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM412225;MM412225;Cn1nnc(=NO)oc1=N;TUOPCHOLHCDBOU-UHFFFAOYSA-N;143.11;-1.82;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP3_SP3";;;;;;;-3.07;;-6.15;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM412226;MM412226;C#CC(CO)N(C)C=NO;ALYDIIKTFVAREY-UHFFFAOYSA-N;142.16;-0.67;;;;;DOPC;MDCG;27;0;"MARTINI bead: P3_Nda";;;;;;;-1.1;;-3.97;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM412227;MM412227;Nc1c(F)[nH]n(O)c1=O;PCQLFWMLGZZJAB-UHFFFAOYSA-N;133.08;-0.87;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNda_SP3";;;;;;;-1.1;;-8.49;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM412228;MM412228;C=NNC(C)C(=O)C#CC;FHMLACDTJDUHNG-UHFFFAOYSA-N;138.17;0.17;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_Nd";;;;;;;1.64;;0.02;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM412229;MM412229;NCC=C1C=C(CN)OC1;CZBPZMSDIGHCJT-UHFFFAOYSA-N;140.19;-0.26;;;;;DOPC;MDCG;27;1;"MARTINI bead: SP1_SP2";;;;;;;-1.06;;-6.11;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM412230;MM412230;C=CCOCC(=CC)CN;OIVCZGAVSXHTRV-UHFFFAOYSA-N;141.21;1.09;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_Na";;;;;;;0.87;;-4.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM412231;MM412231;CN=c1nnn(N)c(=N)o1;CAJNZCSJHBOIET-UHFFFAOYSA-N;142.12;-2.41;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP2_SP3";;;;;;;-2.2;;-5.19;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM412232;MM412232;C=C(F)C(C)NCC=O;QMRSAZOQCJWDNQ-UHFFFAOYSA-N;131.15;0.65;;;;;DOPC;MDCG;27;0;"MARTINI bead: P5_C3";;;;;;;0.59;;-2.14;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM412233;MM412233;C=Cc1[nH]oc(=NC)c1O;XGAWJWWBZCENHG-UHFFFAOYSA-N;140.14;0.49;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP2_SNd";;;;;;;-0.24;;-3.16;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM412234;MM412234;O=CC12CC(CF)CC1C2;TWVZNBCJAXBFLD-UHFFFAOYSA-N;142.17;1.57;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC3_SNa";;;;;;;2.57;;0.45;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM412235;MM412235;NCC1=CC(=CCO)CO1;RTECYDUPYOAXDR-UHFFFAOYSA-N;141.17;-0.22;;;;;DOPC;MDCG;27;1;"MARTINI bead: SP2_SNda";;;;;;;-0.24;;-4.75;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM412236;MM412236;C=CCOCC(=CC)CO;OQSJHTYTEWKTNP-UHFFFAOYSA-N;142.2;1.13;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda_Na";;;;;;;0.87;;-1.99;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM412237;MM412237;CC=CN(C=O)C=NNC;YUTQTKITRPZDFJ-UHFFFAOYSA-N;141.17;0.14;;;;;DOPC;MDCG;27;0;"MARTINI bead: P3_C4";;;;;;;0.23;;-1.03;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM412238;MM412238;ON=c1[nH]c(CF)no1;JTXKQAWWNMMLLU-UHFFFAOYSA-N;133.08;-0.24;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP3_SNda";;;;;;;-1.1;;-8.49;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM412239;MM412239;C#CC(CO)N(O)C=NO;HEDMIWWXVJFMKI-UHFFFAOYSA-N;144.13;-0.91;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda_P4";;;;;;;-1.19;;-4.91;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM412240;MM412240;C=CCOCC(=CF)CO;SRDJMEHVALSMNH-UHFFFAOYSA-N;146.16;1.03;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda_Na";;;;;;;0.87;;-1.99;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM412241;MM412241;N#CC12CC(CF)CC1C2;QMAQQWZPUBTSAY-UHFFFAOYSA-N;139.17;1.9;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC3_SC5";;;;;;;3.34;;0.48;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM412242;MM412242;CCC=C1C=C(CO)OC1;GYVLECINTDISAT-UHFFFAOYSA-N;140.18;1.23;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC5_SP1";;;;;;;0.81;;-0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM412243;MM412243;N=c1oc(=NO)nnn1N;LJYINVZXKKPCDB-UHFFFAOYSA-N;144.09;-2.65;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP3_SP3";;;;;;;-3.07;;-6.15;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM412244;MM412244;C#CC(CC)N(C)N=CC;BJTBSNXNTAQGFZ-UHFFFAOYSA-N;138.21;1.34;;;;;DOPC;MDCG;27;0;"MARTINI bead: C3_P1";;;;;;;1.74;;0.29;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM412245;MM412245;C=CCOCC(=CF)CF;WHKIIEXBDDMJBO-UHFFFAOYSA-N;148.15;2.01;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_Na";;;;;;;1.64;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM412246;MM412246;ON=c1nc(O)c(F)no1;DMASQJUSGNPQNJ-UHFFFAOYSA-N;147.07;-0.8;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP3_SP2";;;;;;;-2.2;;-9.63;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM412247;MM412247;NCC=C1C=C(CO)OC1;KCYDALYIKRZJFP-UHFFFAOYSA-N;141.17;-0.22;;;;;DOPC;MDCG;27;1;"MARTINI bead: SP1_SP1";;;;;;;-0.79;;-5.36;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM412248;MM412248;CNC1CC2CC2(C=O)C1;KLQQPGKCOZKFBJ-UHFFFAOYSA-N;139.2;0.57;;;;;DOPC;MDCG;27;1;"MARTINI bead: SNd_SNa";;;;;;;0.87;;-4.79;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM412249;MM412249;CN=c1nnn(C)c(=O)o1;JQVSPBNPHUPKJX-UHFFFAOYSA-N;142.12;-1.7;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP2_SP2";;;;;;;-1.34;;-4.31;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM412250;MM412250;N#CCC(=O)C=CC(=O)O;HNSSOWACYSHJBK-UHFFFAOYSA-N;139.11;0.11;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_Na";;;;;;;0.04;;-8.37;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM412251;MM412251;CCC=C1C=C(CF)OC1;CSUUERUWZCGZLL-UHFFFAOYSA-N;142.17;2.21;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC5_SNa";;;;;;;1.64;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM412252;MM412252;C=CC(C=C)C(C)C=CC;NIRPYBYDNUZENQ-UHFFFAOYSA-N;136.24;3.19;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1_C2";;;;;;;4.87;;0.53;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM412253;MM412253;CC=C(CC)CONC=N;VKRJBWIJQRTIHM-UHFFFAOYSA-N;142.2;1.47;;;;;DOPC;MDCG;27;1;"MARTINI bead: C1_P3";;;;;;;0.94;;-1.55;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM412254;MM412254;CNC1CC2CC2(C#N)C1;LKOPSKDYJQJPQP-UHFFFAOYSA-N;136.2;0.9;;;;;DOPC;MDCG;27;1;"MARTINI bead: SNd_SC5";;;;;;;1.64;;-2.11;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM412255;MM412255;Cn1nnc(=NN)oc1=O;HQMOPVXEDBBOMN-UHFFFAOYSA-N;143.11;-2.46;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP2_SP3";;;;;;;-2.2;;-5.19;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM412256;MM412256;CC=C(CC)CONC=O;ODYLQZIXIUVICX-UHFFFAOYSA-N;143.19;1.02;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1_P2";;;;;;;1.8;;0.41;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM412257;MM412257;C=CC(C=C)C(C)C=CF;JSFFBIQQDSOMKN-UHFFFAOYSA-N;140.2;3.09;;;;;DOPC;MDCG;27;0;"MARTINI bead: C3_C2";;;;;;;4.53;;0.32;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM412258;MM412258;NCC=C1C=C(CF)OC1;SRQZRNFLKXUULX-UHFFFAOYSA-N;143.16;0.76;;;;;DOPC;MDCG;27;1;"MARTINI bead: SP1_SNa";;;;;;;0.04;;-4.76;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM412259;MM412259;C=Cc1noc(OC)c1C;QOUXQILZHBOCCW-UHFFFAOYSA-N;139.15;1.63;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNa_SN0";;;;;;;1.17;;-1.18;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM412260;MM412260;C=CC12CC(OC)CC1C2;RWMWJLFITXUJRW-UHFFFAOYSA-N;138.21;1.99;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC5_SC4";;;;;;;2.97;;0.45;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM412261;MM412261;Cn1nnc(=NO)oc1=O;DGRXMXAROSRNBV-UHFFFAOYSA-N;144.09;-1.94;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP2_SP3";;;;;;;-2.2;;-5.19;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM412262;MM412262;CCN=C1C=C(CC)CN1;RVHHMQFHEANFDT-UHFFFAOYSA-N;138.21;1.34;;;;;DOPC;MDCG;27;1;"MARTINI bead: SNd_SN0";;;;;;;1.17;;-4.07;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM412263;MM412263;CCC(=CF)CONC=N;QPPIMIWOLDYIFS-UHFFFAOYSA-N;146.17;1.38;;;;;DOPC;MDCG;27;1;"MARTINI bead: C3_P3";;;;;;;0.6;;-2.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM412264;MM412264;C=CC(C=O)C(C)C=CF;NXWJFDDMJPRGSA-UHFFFAOYSA-N;142.17;2.11;;;;;DOPC;MDCG;27;0;"MARTINI bead: C3_Na";;;;;;;2.57;;0.45;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM412265;MM412265;COC1CC2CC2(C=O)C1;UPDORUJHRGQUKQ-UHFFFAOYSA-N;140.18;1;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC5_SNa";;;;;;;1.64;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM412266;MM412266;COc1onc(C#N)c1C;DWCJHNMPWJXWFD-UHFFFAOYSA-N;138.13;0.86;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNa_SNa";;;;;;;0.87;;-2.22;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM412267;MM412267;CN=c1nnn(N)c(=O)o1;CRXNDWATAOKMSS-UHFFFAOYSA-N;143.11;-2.52;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP2_SP3";;;;;;;-2.2;;-5.19;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM412268;MM412268;CC=C(CN)CONC=O;YMHATWRWBSUFNX-UHFFFAOYSA-N;144.17;-0.43;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_P4";;;;;;;-1.19;;-6.46;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM412269;MM412269;CCN=C1C=C(CN)CN1;DEDFZFNICUXPED-UHFFFAOYSA-N;139.2;-0.11;;;;;DOPC;MDCG;27;1;"MARTINI bead: SNd_SP2";;;;;;;-0.24;;-6.02;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM412270;MM412270;COC1CC2CC2(C#N)C1;QZSWQJMZCCMMAF-UHFFFAOYSA-N;137.18;1.33;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC5_SC5";;;;;;;2.41;;0.64;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM412271;MM412271;C=CC(C#N)C(C)C=CF;SCGYGFRIVROVHG-UHFFFAOYSA-N;139.17;2.43;;;;;DOPC;MDCG;27;0;"MARTINI bead: C3_N0";;;;;;;2.87;;0.37;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM412272;MM412272;C=CC(CF)ON=CCF;JNQHQNUQOBOIIT-UHFFFAOYSA-N;149.14;1.48;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_C5";;;;;;;0.81;;-0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM412273;MM412273;CNN=CN(C=O)C=CF;AQHISBDDWGAMRP-UHFFFAOYSA-N;145.14;0.05;;;;;DOPC;MDCG;27;0;"MARTINI bead: P3_C5";;;;;;;-0.33;;-2.01;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM412274;MM412274;C=CC12CC(CC)NC1C2;YABWIFIXBIUBDI-UHFFFAOYSA-N;137.23;1.7;;;;;DOPC;MDCG;27;1;"MARTINI bead: SNd_SP1";;;;;;;0.04;;-6.12;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM412275;MM412275;CC(C=CF)C(C#N)C#N;LGJSSAISKMGHSA-UHFFFAOYSA-N;138.15;1.77;;;;;DOPC;MDCG;27;0;"MARTINI bead: C3_P2";;;;;;;1.46;;-0.15;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM412276;MM412276;CC=C(CO)CONC=N;SDSGJDQZWYXGBH-UHFFFAOYSA-N;144.17;0.05;;;;;DOPC;MDCG;27;1;"MARTINI bead: C5_P4";;;;;;;-0.41;;-4.5;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM412277;MM412277;COc1onc(C=O)c1N;JCEMUUDBVXBUPQ-UHFFFAOYSA-N;142.11;0.08;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNda_SNa";;;;;;;0.87;;-1.99;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM412278;MM412278;CCN=C1C=C(CO)CN1;MGZWESJIFHIFPS-UHFFFAOYSA-N;140.19;-0.07;;;;;DOPC;MDCG;27;1;"MARTINI bead: SNd_SP2";;;;;;;-0.24;;-5.88;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM412279;MM412279;Nn1nnc(=NO)oc1=O;VSKPSVXDGDJXOC-UHFFFAOYSA-N;145.08;-2.77;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP3_SP3";;;;;;;-3.07;;-6.15;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM412280;MM412280;C=CC12CC(CN)NC1C2;HCWFUUISJYCEIX-UHFFFAOYSA-N;138.21;0.25;;;;;DOPC;MDCG;27;1;"MARTINI bead: SP1_SP1";;;;;;;-0.79;;-6.11;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM412281;MM412281;C=CC(C=C)C(N)C=CF;BAGAEAFRZBGTJT-UHFFFAOYSA-N;141.19;1.79;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1_C2";;;;;;;2;;-0.99;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM412282;MM412282;COc1onc(C#N)c1N;UTJFEJJHNHOFDP-UHFFFAOYSA-N;139.11;0.14;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNa_SNda";;;;;;;0.87;;-1.99;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM412283;MM412283;CC=C(CO)CONC=O;YMVOXGSBABKGAJ-UHFFFAOYSA-N;145.16;-0.4;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda_P2";;;;;;;-0.24;;-3.31;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM412284;MM412284;CCN=C1C=C(CF)CN1;DJRZGHLNNJBYSQ-UHFFFAOYSA-N;142.18;0.9;;;;;DOPC;MDCG;27;1;"MARTINI bead: SNd_SNa";;;;;;;0.87;;-4.56;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM412285;MM412285;COC=NN=CC(=O)O;MCMYARPQZNPSIS-UHFFFAOYSA-N;130.1;-0.27;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_P1";;;;;;;-0.79;;-8.09;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM412286;MM412286;C=CC(C#N)C(O)C=CF;HDTQORGHKADYBW-UHFFFAOYSA-N;141.15;1.16;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda_N0";;;;;;;1.17;;-1.13;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM412287;MM412287;C=CC12CC(CO)NC1C2;JWMSYGAUFFSTBL-UHFFFAOYSA-N;139.2;0.29;;;;;DOPC;MDCG;27;1;"MARTINI bead: SP1_SP1";;;;;;;-0.79;;-5.91;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM412288;MM412288;N=CNOCC(=CF)CO;NHUCVNGDSGRASP-UHFFFAOYSA-N;148.14;-0.04;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nda_P3";;;;;;;-1.1;;-5.73;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM412289;MM412289;C=CC1=CCC(C=C)=C1C;PBUWFZLMUYKEDW-UHFFFAOYSA-N;132.21;3.01;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC3_SC4";;;;;;;3.9;;0.47;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM412290;MM412290;CCN=C1C=C(NC)CN1;YVCUVRMNQNVNGD-UHFFFAOYSA-N;139.2;0.11;;;;;DOPC;MDCG;27;1;"MARTINI bead: SNd_SP1";;;;;;;0.04;;-5.05;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM412291;MM412291;CCC1(C#N)NC1C(=O)O;GWXQVYMGZONLBF-UHFFFAOYSA-N;140.14;-0.28;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP1_P1";;;;;;;-0.79;;-8.09;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM412292;MM412292;C=CC(C=O)C(F)C=CF;LAXGWEXHEXXGMK-UHFFFAOYSA-N;146.14;1.81;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_Na";;;;;;;1.64;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM412293;MM412293;C=CC12CC(CF)NC1C2;CPJPNKXOWBSBDL-UHFFFAOYSA-N;141.19;1.26;;;;;DOPC;MDCG;27;1;"MARTINI bead: SNda_SP1";;;;;;;0.04;;-4.56;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM412294;MM412294;CC=C(CF)CONC=N;XEGNXFAITFAGDN-UHFFFAOYSA-N;146.17;1.03;;;;;DOPC;MDCG;27;1;"MARTINI bead: C3_P4";;;;;;;0.52;;-3.28;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM412295;MM412295;C=CC1=CCC(C=O)=C1C;OZVYLQMNNYKNGN-UHFFFAOYSA-N;134.18;2.02;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNa_SC4";;;;;;;2.2;;0.34;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM412296;MM412296;CC(=NOC=NN)C(=O)O;XDOGTENDUHHFHH-UHFFFAOYSA-N;145.12;-0.63;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_Nda";;;;;;;-0.24;;-8.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM412297;MM412297;CC(C)OC(C)OC=NN;FYFDYMDENLZSMK-UHFFFAOYSA-N;146.19;0.68;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_Nda";;;;;;;0.87;;-1.99;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM412298;MM412298;C=CC(C=C)C(C)C=NN;IXNGXGBDPROIMG-UHFFFAOYSA-N;138.21;1.56;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nd_C2";;;;;;;2.83;;0.62;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM412299;MM412299;O=CC12CC(CO)NC1C2;LUZHKPKQFWKSJV-UHFFFAOYSA-N;141.17;-0.7;;;;;DOPC;MDCG;27;1;"MARTINI bead: SP1_SP1";;;;;;;-0.79;;-5.53;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM412300;MM412300;CC=C(CF)CONC=O;HMYUPDUEFGDBLT-UHFFFAOYSA-N;147.15;0.58;;;;;DOPC;MDCG;27;0;"MARTINI bead: C3_P4";;;;;;;0.52;;-1.59;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM412301;MM412301;C=CC1=CCC(C#N)=C1C;VDELMCCEZQLNJI-UHFFFAOYSA-N;131.18;2.34;;;;;DOPC;MDCG;27;0;"MARTINI bead: SN0_SC4";;;;;;;2.5;;0.44;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM412302;MM412302;C=c1ccc(=CC)[nH]c1=N;FFCAHCXQOUOJIS-UHFFFAOYSA-N;134.18;-0.3;;;;;DOPC;MDCG;27;1;"MARTINI bead: SC5_SNd";;;;;;;1.64;;-5;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM412303;MM412303;C=C(C)OC(C)OC=NN;IIZVXLZNEDODKM-UHFFFAOYSA-N;144.17;0.8;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda_Na";;;;;;;0.87;;-1.99;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM412304;MM412304;C=CC(C=C)C(C)C=NO;LRBVDRMCULLAMK-UHFFFAOYSA-N;139.2;2.07;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_C1";;;;;;;2.08;;0.48;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM412305;MM412305;C=CC12CC(CC)OC1C2;WCYOYWKPVBVGDD-UHFFFAOYSA-N;138.21;2.13;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC5_SN0";;;;;;;1.94;;0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM412306;MM412306;C=CCOCC(CC)=NN;URSDHZCPKAKBKV-UHFFFAOYSA-N;142.2;0.91;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nd_Na";;;;;;;0.87;;-1.88;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM412307;MM412307;C=CC1=C(C)C(C=O)=CC1;BHPILKRDNRATJD-UHFFFAOYSA-N;134.18;2.02;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC3_SNa";;;;;;;2.57;;0.45;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM412308;MM412308;C=c1ccc(=CF)[nH]c1=N;SQHDHTBIZDPMDM-UHFFFAOYSA-N;138.15;-0.39;;;;;DOPC;MDCG;27;1;"MARTINI bead: SNda_SNd";;;;;;;0.87;;-7.55;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM412309;MM412309;C=CC(C=O)C(C)C=NO;NZRCQRTZDOIQSI-UHFFFAOYSA-N;141.17;1.08;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda_Na";;;;;;;0.87;;-1.99;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM412310;MM412310;C=C(C=C(C)C)OC=NN;YGRHLJWCVSXWPO-UHFFFAOYSA-N;140.19;1.38;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4_Nda";;;;;;;2.2;;0.49;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM412311;MM412311;C=CC12CC(CN)OC1C2;WAXSUXHOMSZKLU-UHFFFAOYSA-N;139.2;0.68;;;;;DOPC;MDCG;27;1;"MARTINI bead: SP1_SN0";;;;;;;0.34;;-3.61;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM412312;MM412312;C=CCOCC(CC)=NO;QHWCQUOYNIJQGE-UHFFFAOYSA-N;143.19;1.43;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda_Na";;;;;;;0.87;;-1.99;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM412313;MM412313;C=CC1=C(C)C(C#N)=CC1;BDNCPNLZRXVXOK-UHFFFAOYSA-N;131.18;2.34;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC3_SN0";;;;;;;2.87;;0.37;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM412314;MM412314;CCC#CC(=NN)OCC;KAFOVBBPXOXEPV-UHFFFAOYSA-N;140.19;0.71;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda_C5";;;;;;;1.64;;0.05;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM412315;MM412315;C=C(C=C(C)F)OC=NN;QZUZVZRLIRZECD-UHFFFAOYSA-N;144.15;1.29;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_Nda";;;;;;;1.64;;0.05;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM412316;MM412316;C=CC12CC(CF)OC1C2;CYPILDZNCAWDDG-UHFFFAOYSA-N;142.17;1.69;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNa_SN0";;;;;;;1.17;;-1.18;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM412317;MM412317;C=Cc1n[nH]c(O)c1F;WSOWUBGWUYMLTM-UHFFFAOYSA-N;128.11;0.9;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNda_SNda";;;;;;;0.87;;-6.92;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM412318;MM412318;C=CC(O)(C=C(C)C)CC;HKQSYDJUFBGRDM-UHFFFAOYSA-N;140.23;2.28;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_C4";;;;;;;2.97;;0.45;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM412319;MM412319;CC1=C(C=O)CC=C1C=O;RZFDXUNHJVLZQQ-UHFFFAOYSA-N;136.15;1.03;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNa_SNa";;;;;;;0.87;;-2.22;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM412320;MM412320;C=c1ccc(=CC)[nH]c1=O;LJHFDYPNKFRSNL-UHFFFAOYSA-N;135.17;-0.41;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC5_SNa";;;;;;;1.64;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM412321;MM412321;C#CC(C)(C)C(=NN)OC;YLQAGDFDZGXXLT-UHFFFAOYSA-N;140.19;0.56;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_C4";;;;;;;1.37;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM412322;MM412322;O=CC12CC(CF)OC1C2;IGRAYLMMUAKZJN-UHFFFAOYSA-N;144.15;0.7;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNa_SP1";;;;;;;0.04;;-2.54;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM412323;MM412323;C=CC(C#N)N(C)C=NO;KFTNDDMSNOMYOO-UHFFFAOYSA-N;139.16;0.41;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_N0";;;;;;;0.34;;-1.53;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM412324;MM412324;CON=C(N)C(=O)C(=O)O;FVAJVGDEYWUNJD-UHFFFAOYSA-N;146.1;-1.44;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_P1";;;;;;;-1.06;;-8.43;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM412325;MM412325;CC1=C(C=O)CC=C1C#N;GQPKGCAEPKEACN-UHFFFAOYSA-N;133.15;1.36;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNa_SN0";;;;;;;1.17;;-1.18;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM412326;MM412326;C=c1ccc(=CF)[nH]c1=O;MKTLWJMGACRKMG-UHFFFAOYSA-N;139.13;-0.51;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNa_SNda";;;;;;;0.87;;-1.99;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM412327;MM412327;C=CC12CC1CC(CC)N2;MQAJVFPFQMNEAW-UHFFFAOYSA-N;137.23;1.7;;;;;DOPC;MDCG;27;1;"MARTINI bead: SN0_SNd";;;;;;;1.17;;-4.22;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM412328;MM412328;CN(C=NO)C(C=O)C=O;MXHAYCZAQZCBMI-UHFFFAOYSA-N;144.13;-0.9;;;;;DOPC;MDCG;27;0;"MARTINI bead: P3_Na";;;;;;;-1.1;;-4.2;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM412329;MM412329;CCC(C)(C)COC=NN;DHYSRIKBDRCDAD-UHFFFAOYSA-N;144.22;1.34;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1_P1";;;;;;;2.08;;0.48;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM412330;MM412330;Nc1n[nH]oc(=NO)c1=O;QDVVADODWISGBU-UHFFFAOYSA-N;144.09;-1.77;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP2_SP2";;;;;;;-1.34;;-8.93;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM412331;MM412331;CC1=C(C#N)CC=C1C=O;HQBRYRHROZAESM-UHFFFAOYSA-N;133.15;1.36;;;;;DOPC;MDCG;27;0;"MARTINI bead: SN0_SNa";;;;;;;1.17;;-1.18;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM412332;MM412332;C=c1ccc(=NC)[nH]c1=C;YSNKINSNQODGJJ-UHFFFAOYSA-N;134.18;-0.63;;;;;DOPC;MDCG;27;1;"MARTINI bead: SC5_SN0";;;;;;;1.94;;-3.2;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM412333;MM412333;C=CC12CC1CC(CN)N2;YRFLGELVSLNTHK-UHFFFAOYSA-N;138.21;0.25;;;;;DOPC;MDCG;27;1;"MARTINI bead: SP1_SNd";;;;;;;0.04;;-5.33;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM412334;MM412334;CCNc1cc(CO)on1;DHPZDMVPBFAOCN-UHFFFAOYSA-N;142.16;0.6;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNda_SP1";;;;;;;0.04;;-2.73;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM412335;MM412335;CN(C=NO)C(C#N)C=O;GOLHPCJXDNABLX-UHFFFAOYSA-N;141.13;-0.57;;;;;DOPC;MDCG;27;0;"MARTINI bead: P3_Na";;;;;;;-1.1;;-4.2;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM412336;MM412336;CN=C(NO)C(=O)C(=O)O;WNGYHKXAJMCSBJ-UHFFFAOYSA-N;146.1;-1.35;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_P1";;;;;;;-1.06;;-8.43;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM412337;MM412337;CC1=C(C#N)CC=C1C#N;RLTKXUZWAPYRFN-UHFFFAOYSA-N;130.15;1.68;;;;;DOPC;MDCG;27;0;"MARTINI bead: SN0_SN0";;;;;;;1.47;;-0.05;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM412338;MM412338;C=c1ccc(=NN)[nH]c1=C;OAGFGNYLYGNAOJ-UHFFFAOYSA-N;135.17;-1.39;;;;;DOPC;MDCG;27;1;"MARTINI bead: SNd_SN0";;;;;;;1.17;;-3.31;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM412339;MM412339;C=CC12CC1CC(CO)N2;LRZFMVUNMIZEOD-UHFFFAOYSA-N;139.2;0.29;;;;;DOPC;MDCG;27;1;"MARTINI bead: SP1_SNd";;;;;;;0.04;;-5.07;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM412340;MM412340;CC(C)(CF)COC=NN;CFFHTKXVOBICNI-UHFFFAOYSA-N;148.18;0.9;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4_P1";;;;;;;1.37;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM412341;MM412341;COC(=O)CNCC=O;HSOXMLYPYDYTPT-UHFFFAOYSA-N;131.13;-1.05;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_P2";;;;;;;-1.06;;-3.82;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM412342;MM412342;CCC(CONC=N)=NN;VCYNGWJDFLGPFS-UHFFFAOYSA-N;144.18;-0.16;;;;;DOPC;MDCG;27;1;"MARTINI bead: C5_P4";;;;;;;-0.41;;-4.49;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM412343;MM412343;CCC1CC2CC2(C=O)N1;DQRLVJBKLRUXBN-UHFFFAOYSA-N;139.2;0.72;;;;;DOPC;MDCG;27;1;"MARTINI bead: SN0_SP1";;;;;;;0.34;;-3.47;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM412344;MM412344;C=CC1=CCC(C=O)=C1N;HQCTXNBAMNASFA-UHFFFAOYSA-N;135.17;0.91;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP1_SC4";;;;;;;1.37;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM412345;MM412345;C=NNCC(C#N)C(=C)F;AQJUBACHXPBVEN-UHFFFAOYSA-N;141.15;0.81;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_P2";;;;;;;0.54;;-1.09;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM412346;MM412346;CCC=C1C=C(CC)CO1;WQRAKJKJIDHJFS-UHFFFAOYSA-N;138.21;2.65;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC5_SN0";;;;;;;1.94;;0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM412347;MM412347;C#CCC(C#C)ON=C;IIZNKPJXRXENJX-UHFFFAOYSA-N;121.14;0.64;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_C5";;;;;;;0.81;;-0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM412348;MM412348;N=CNOCC(CO)=NN;JTNNPNNGXXNXHH-UHFFFAOYSA-N;146.15;-1.58;;;;;DOPC;MDCG;27;1;"MARTINI bead: P2_P3";;;;;;;-2.2;;-6.93;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM412349;MM412349;C=CC1=CCC(C#N)=C1N;ZWMGGIIZNASLTI-UHFFFAOYSA-N;132.17;1.24;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNd_SC4";;;;;;;2.2;;0.32;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM412350;MM412350;O=CC12CC1CC(CO)N2;NAGBQVFKVGZUBQ-UHFFFAOYSA-N;141.17;-0.7;;;;;DOPC;MDCG;27;1;"MARTINI bead: SP1_SP1";;;;;;;-0.79;;-4.32;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM412351;MM412351;C=C(C)N(C=O)C=NNC;OEVVYNPQAAJDMO-UHFFFAOYSA-N;141.17;0.14;;;;;DOPC;MDCG;27;0;"MARTINI bead: P3_C4";;;;;;;0.23;;-1.03;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM412352;MM412352;CCC=C1C=C(CN)CO1;CLYDZIALGGTYCY-UHFFFAOYSA-N;139.2;1.2;;;;;DOPC;MDCG;27;1;"MARTINI bead: SC5_SP1";;;;;;;0.81;;-2.65;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM412353;MM412353;C=NN(C=N)C(C)C=CC;APNKHKRKSOEGMR-UHFFFAOYSA-N;139.2;1.48;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4_P1";;;;;;;1.37;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM412354;MM412354;N=CNOCC(CF)=NN;QDTONFQLWSKXIB-UHFFFAOYSA-N;148.14;-0.6;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nda_P4";;;;;;;-1.19;;-6.58;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM412355;MM412355;N#CC1=C(N)C(C=O)=CC1;RPSDHZXLNUEQJQ-UHFFFAOYSA-N;134.14;0.25;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNd_SNa";;;;;;;0.87;;-1.88;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM412356;MM412356;C=C1C=CC(=NN)NC1=O;AEQMJXVXDJXUPJ-UHFFFAOYSA-N;137.14;-0.5;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNd_SNa";;;;;;;0.87;;-1.88;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM412357;MM412357;CC#CC(=O)N(N)C=NN;JRLGOPUYNPTISV-UHFFFAOYSA-N;140.15;-1.39;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_P4";;;;;;;-0.41;;-2.78;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM412358;MM412358;CCC=C1C=C(CO)CO1;KVLMQOKQEZRIIU-UHFFFAOYSA-N;140.18;1.23;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC5_SP1";;;;;;;0.81;;-0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM412359;MM412359;C=NN(C=O)C(C)C=CF;UMIDFFAQIDJPJX-UHFFFAOYSA-N;144.15;0.93;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_P1";;;;;;;0.81;;-0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM412360;MM412360;C=CCOCC(=NC)NC;IUFXDQAELWIZJS-UHFFFAOYSA-N;142.2;0.44;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_Na";;;;;;;0.87;;-5.32;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM412361;MM412361;N#CC1=CCC(C#N)=C1N;XULAXYZCLBNFJU-UHFFFAOYSA-N;131.14;0.58;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNd_SN0";;;;;;;1.17;;-1.04;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM412362;MM412362;N#CC12CC1CC(CF)N2;XKKYWWJJUOYULS-UHFFFAOYSA-N;140.16;0.6;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNa_SP1";;;;;;;0.04;;-2.54;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM412363;MM412363;CN=C1C=CC(=O)C(=O)N1;YJHDSJOPVHSGNR-UHFFFAOYSA-N;138.13;-0.73;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNd_SP1";;;;;;;0.04;;-2.63;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM412364;MM412364;NCC=C1C=C(CO)CO1;OVMSNUFPCACFQH-UHFFFAOYSA-N;141.17;-0.22;;;;;DOPC;MDCG;27;1;"MARTINI bead: SNda_SP1";;;;;;;0.04;;-4.89;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM412365;MM412365;CN(C=NO)N(C=N)C=O;JQSVUBIKPZMXAW-UHFFFAOYSA-N;144.13;-0.68;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_P5";;;;;;;-1.94;;-5.95;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM412366;MM412366;CC=CC=C(C)C(C)(C)O;WCWVAXOSFBHWTP-UHFFFAOYSA-N;140.23;2.28;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1_Nda";;;;;;;2.91;;0.57;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM412367;MM412367;C=Cc1c[nH]c(C=C)c1C;VHDYHHPFCIJVDC-UHFFFAOYSA-N;133.19;2.61;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC5_SNd";;;;;;;1.64;;0.02;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM412368;MM412368;C=CC12CC1CC(CC)O2;QZVJAALNLXYFHS-UHFFFAOYSA-N;138.21;2.13;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC5_SNa";;;;;;;1.64;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM412369;MM412369;C=c1cnc(=NC)[nH]c1=C;XFDCKYHGILQVFI-UHFFFAOYSA-N;135.17;-1.24;;;;;DOPC;MDCG;27;1;"MARTINI bead: SNda_SP1";;;;;;;0.04;;-8.11;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM412370;MM412370;CCC=C1C=C(CF)CO1;QZXQMKJQGNKVKY-UHFFFAOYSA-N;142.17;2.21;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC5_SNa";;;;;;;1.64;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM412371;MM412371;CN(C=NO)N(C=O)C=O;NULBJFBZRFJVHH-UHFFFAOYSA-N;145.12;-1.13;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_P3";;;;;;;-1.93;;-4.72;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM412372;MM412372;N=CNOCC(=NN)NO;KVXQNSKAGSEVOA-UHFFFAOYSA-N;147.14;-1.63;;;;;DOPC;MDCG;27;1;"MARTINI bead: P2_P4";;;;;;;-2.29;;-7.65;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM412373;MM412373;C=CC12CC1CC(CN)O2;GVZNQGDKULAXNF-UHFFFAOYSA-N;139.2;0.68;;;;;DOPC;MDCG;27;1;"MARTINI bead: SP1_SNa";;;;;;;0.04;;-4.61;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM412374;MM412374;C=Cc1[nH]cc(C#N)c1C;MACXNTYONZXHEM-UHFFFAOYSA-N;132.17;1.84;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNd_SN0";;;;;;;1.17;;-1.04;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM412375;MM412375;C=c1cnc(=NN)[nH]c1=C;YZZUJGKFBBCJQL-UHFFFAOYSA-N;136.16;-2;;;;;DOPC;MDCG;27;1;"MARTINI bead: SP2_SP1";;;;;;;-1.06;;-8.87;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM412376;MM412376;NCC=C1C=C(CF)CO1;QAQJVDAGJFNNQP-UHFFFAOYSA-N;143.16;0.76;;;;;DOPC;MDCG;27;1;"MARTINI bead: SNda_SNa";;;;;;;0.87;;-4.16;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM412377;MM412377;C#CC(C=C)C(C)C=CF;BTWXJGRLGSJJHM-UHFFFAOYSA-N;138.19;2.54;;;;;DOPC;MDCG;27;0;"MARTINI bead: C3_C5";;;;;;;3.34;;0.48;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM412378;MM412378;C=CCOCC(=CC)OC;MLLWJFADUHTKRJ-UHFFFAOYSA-N;142.2;1.74;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_Na";;;;;;;1.64;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM412379;MM412379;CCC1CC2CC2(C#N)O1;YUXDFJNDKOPOFS-UHFFFAOYSA-N;137.18;1.47;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC5_SNa";;;;;;;1.64;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM412380;MM412380;CN=C(NCC#N)C(=O)O;CBUKIQXUMGSIPW-UHFFFAOYSA-N;141.13;-0.79;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_P1";;;;;;;-0.79;;-8.89;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM412381;MM412381;C#CC(=NN)OCCC=C;LIEMJKIKPNTQPX-UHFFFAOYSA-N;138.17;0.48;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_C3";;;;;;;1.46;;-0.15;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM412382;MM412382;CCC=C1C=C(OC)CO1;VDDCVEMXVFCLML-UHFFFAOYSA-N;140.18;1.84;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC5_SNa";;;;;;;1.64;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM412383;MM412383;C#CC(C#N)C(C)C=CC;JDZMZQNHWVXTPX-UHFFFAOYSA-N;133.19;1.97;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1_N0";;;;;;;3.21;;0.46;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM412384;MM412384;CC=C(COCC=O)OC;FBHMOJGHDZYNJC-UHFFFAOYSA-N;144.17;0.75;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_P1";;;;;;;0.81;;-0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM412385;MM412385;CC(C)(NCC#N)C(=O)O;ZSVNPKHRIZXEKS-UHFFFAOYSA-N;142.16;-0.04;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_P1";;;;;;;-1.06;;-9.04;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM412386;MM412386;C=CC12CC1OC(CC)O2;ZLXQLEIBWXLYRT-UHFFFAOYSA-N;140.18;1.47;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNa_SNa";;;;;;;0.87;;-2.22;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM412387;MM412387;C=C1C=NC(=NC)NC1=O;QUYCXYLHKRFUBZ-UHFFFAOYSA-N;137.14;-0.27;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNd_SP2";;;;;;;-0.24;;-3.16;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM412388;MM412388;COC1=CC(=CCN)OC1;AQLHBXMAAFJVOA-UHFFFAOYSA-N;141.17;0.39;;;;;DOPC;MDCG;27;1;"MARTINI bead: SNa_SNda";;;;;;;0.87;;-4.16;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM412389;MM412389;C#CC(C=O)C(C)C=CF;CRESSSUMJNDERE-UHFFFAOYSA-N;140.16;1.55;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_Na";;;;;;;1.64;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM412390;MM412390;CC=C(COCC#N)OC;NNDKPHUPXRWLLQ-UHFFFAOYSA-N;141.17;1.08;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_P1";;;;;;;0.81;;-0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM412391;MM412391;Cc1c(C#N)c[nH]c1C#N;OROCSKFFAHEHLW-UHFFFAOYSA-N;131.14;1.07;;;;;DOPC;MDCG;27;0;"MARTINI bead: SN0_SNd";;;;;;;1.17;;-1.04;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM412392;MM412392;C=CC12CC1CN(CC)C2;YGBYRRMOCVBXKF-UHFFFAOYSA-N;137.23;1.51;;;;;DOPC;MDCG;27;1;"MARTINI bead: SNd_SP1";;;;;;;0.04;;-5.05;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM412393;MM412393;CCN=C1CNC(NC)=N1;WQMBBNIBVNVWQC-UHFFFAOYSA-N;140.19;-0.42;;;;;DOPC;MDCG;27;1;"MARTINI bead: SP1_SP1";;;;;;;-0.79;;-5.78;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM412394;MM412394;C#CC(C=C)C(N)C=CC;LXMHNOUGZLKDQP-UHFFFAOYSA-N;135.21;1.33;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_C5";;;;;;;1.64;;-2.02;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM412395;MM412395;CN=C1N=CC(=O)C(=O)N1;SYTLDVOBYORRQP-UHFFFAOYSA-N;139.11;-1.26;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNd_SP2";;;;;;;-0.24;;-3.16;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM412396;MM412396;COC(=CF)COCC#N;OYTDINLUNZOIGH-UHFFFAOYSA-N;145.13;0.98;;;;;DOPC;MDCG;27;0;"MARTINI bead: N0_P1";;;;;;;0.34;;-1.53;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM412397;MM412397;C#CC(CC)ON=CCF;MFGCJNHTJRNLLB-UHFFFAOYSA-N;143.16;1.37;;;;;DOPC;MDCG;27;0;"MARTINI bead: C3_P1";;;;;;;1.74;;0.29;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM412398;MM412398;CCN1CC2CC2(C=O)C1;NZLMUZDTKTUQMN-UHFFFAOYSA-N;139.2;0.53;;;;;DOPC;MDCG;27;1;"MARTINI bead: SNd_SP2";;;;;;;-0.24;;-4.83;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM412399;MM412399;C#CC(C=C)C(N)C=CF;JWQJCCBMDUJWJX-UHFFFAOYSA-N;139.17;1.23;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1_C5";;;;;;;0.81;;-2.53;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM412400;MM412400;CCN=C1CNC(NN)=N1;WNIRVSNRYIDOIT-UHFFFAOYSA-N;141.18;-1.17;;;;;DOPC;MDCG;27;1;"MARTINI bead: SP1_SP2";;;;;;;-1.06;;-5.73;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM412401;MM412401;CN=C1N=CC(=O)C(=O)O1;FRJSWDZDWQMPJE-UHFFFAOYSA-N;140.1;-0.83;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNa_SP1";;;;;;;0.04;;-2.54;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM412402;MM412402;CC=C(CONC=O)OC;JKNYODUYMXVMNQ-UHFFFAOYSA-N;145.16;0.21;;;;;DOPC;MDCG;27;0;"MARTINI bead: C3_P4";;;;;;;0.52;;-1.59;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM412403;MM412403;C=CC12CC(CN)CC1N2;SESPRINGMCMQNU-UHFFFAOYSA-N;138.21;0.25;;;;;DOPC;MDCG;27;1;"MARTINI bead: SC5_SNd";;;;;;;1.64;;-2.71;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM412404;MM412404;C#CC(C=C)C(C)C=NN;VBQWPBHEWDCFQG-UHFFFAOYSA-N;136.2;1;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nd_C5";;;;;;;1.64;;0.02;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM412405;MM412405;C=Cc1c[nH]c(C#N)c1N;IMXFHUHKHFVHEM-UHFFFAOYSA-N;133.15;1.11;;;;;DOPC;MDCG;27;0;"MARTINI bead: SN0_SNd";;;;;;;1.17;;-1.04;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM412406;MM412406;C=c1oc(=CC)cnc1=N;AQWUXYYMGDAGNH-UHFFFAOYSA-N;136.15;-0.64;;;;;DOPC;MDCG;27;0;"MARTINI bead: SN0_SNda";;;;;;;1.17;;-1.13;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM412407;MM412407;CC(F)(CF)COC=NN;PARMGYWKWMZSHY-UHFFFAOYSA-N;152.14;0.6;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4_P3";;;;;;;0.23;;-1.03;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM412408;MM412408;COC(=CF)CONC=N;FOLMKADBEZOROJ-UHFFFAOYSA-N;148.14;0.57;;;;;DOPC;MDCG;27;1;"MARTINI bead: C5_P4";;;;;;;-0.41;;-4.48;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM412409;MM412409;CCC1CC2NC2(C=O)C1;VXAVYKOPJVEGMP-UHFFFAOYSA-N;139.2;0.72;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC1_SP1";;;;;;;2.08;;0.49;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM412410;MM412410;C#CC(C=C)C(C)C=NO;NVKDLRPVLDXTGM-UHFFFAOYSA-N;137.18;1.52;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda_C5";;;;;;;1.64;;0.05;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM412411;MM412411;C=Cc1[nH]cc(C#N)c1N;MWBQUDGRXFMPDV-UHFFFAOYSA-N;133.15;1.11;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNd_SNd";;;;;;;0.87;;-2.11;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM412412;MM412412;C=c1oc(=CF)cnc1=N;QBEKGCRREXAOAE-UHFFFAOYSA-N;140.12;-0.73;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP1_SNda";;;;;;;0.04;;-2.73;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM412413;MM412413;C=CC=C1C=C(CC)CC1;MXLDZMQRHSCMBE-UHFFFAOYSA-N;134.22;3.23;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC2_SC4";;;;;;;4.16;;0.44;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM412414;MM412414;COC(CONC=O)=NN;LTVAKJNEGVXTKR-UHFFFAOYSA-N;147.13;-1.42;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda_P4";;;;;;;-1.19;;-4.91;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM412415;MM412415;C#CC(C=C)N(O)C=NO;ZEXZDZJTJUFJBD-UHFFFAOYSA-N;140.14;0.28;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_N0";;;;;;;0.34;;-1.53;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM412416;MM412416;CCC1CC2NC2(C#N)C1;AKDAUJOWTYCPCX-UHFFFAOYSA-N;136.2;1.04;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC1_SP1";;;;;;;2.08;;0.48;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM412417;MM412417;C=c1oc(=CC)cnc1=O;HYXPYBSAZYOCGU-UHFFFAOYSA-N;137.14;-0.75;;;;;DOPC;MDCG;27;0;"MARTINI bead: SN0_SP2";;;;;;;0.06;;-2.21;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM412418;MM412418;N#Cc1c[nH]c(C#N)c1N;KYEZJWRCBHIKLX-UHFFFAOYSA-N;132.13;0.34;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNd_SNd";;;;;;;0.87;;-2.11;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM412419;MM412419;CCC(=NCCC=O)NC;SRQIPDXYTFCLSD-UHFFFAOYSA-N;142.2;0.6;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_Na";;;;;;;0.87;;-6.29;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM412420;MM412420;CCC1=CC(=CC=O)CC1;JGMCKTUMNKJJPW-UHFFFAOYSA-N;136.19;2.24;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC2_SNa";;;;;;;2.83;;0.35;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM412421;MM412421;CCCC(=NNC)OC;USGLLLFJRQLENM-UHFFFAOYSA-N;130.19;0.97;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_P2";;;;;;;0.54;;-1.09;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM412422;MM412422;C=NN(C=O)C(=N)C(C)=O;WTCGCIZTLFDQKN-UHFFFAOYSA-N;141.13;-0.37;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_P2";;;;;;;-0.24;;-3.24;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM412423;MM412423;C=c1oc(=CF)cnc1=O;PMOLUWGHQIQXDH-UHFFFAOYSA-N;141.1;-0.85;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP1_SP2";;;;;;;-1.06;;-3.82;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM412424;MM412424;C=Cc1c[nH]c(C=C)c1F;SDRMSPODAAXBHF-UHFFFAOYSA-N;137.16;2.44;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC5_SNd";;;;;;;1.64;;0.02;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM412425;MM412425;CCC(=NCCC#N)NC;QBOWBZNWEQKTGR-UHFFFAOYSA-N;139.2;0.93;;;;;DOPC;MDCG;27;1;"MARTINI bead: P2_C5";;;;;;;0.54;;-5.26;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM412426;MM412426;CCC1=CC(=CC#N)CC1;LSRLDTXERVLCFY-UHFFFAOYSA-N;133.19;2.57;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC2_SC5";;;;;;;3.6;;0.34;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM412427;MM412427;C#CC(C=O)N(O)C=NO;XWNPFKOXDXRDTP-UHFFFAOYSA-N;142.11;-0.7;;;;;DOPC;MDCG;27;0;"MARTINI bead: P4_Na";;;;;;;-1.19;;-4.76;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM412428;MM412428;CC(=O)C(=N)NNCC#N;SWPIAXKWLSERJZ-UHFFFAOYSA-N;140.15;-0.83;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_P3";;;;;;;-1.1;;-4.2;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM412429;MM412429;CC1N=C(CO)NCC1N;GCXWZONPVZCOJM-UHFFFAOYSA-N;143.19;-1.3;;;;;DOPC;MDCG;27;1;"MARTINI bead: SP1_SP2";;;;;;;-1.06;;-5.65;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM412430;MM412430;C=Cc1c[nH]c(C#N)c1F;DUSIDTIWPPLJII-UHFFFAOYSA-N;136.13;1.67;;;;;DOPC;MDCG;27;0;"MARTINI bead: SN0_SNda";;;;;;;1.17;;-1.13;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM412431;MM412431;C=CCCNC(CC)=NN;GLQMNSSGVOHAKT-UHFFFAOYSA-N;141.22;0.83;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1_C3";;;;;;;1.74;;-1.54;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM412432;MM412432;C#CC(C=C)N(C)N=CC;OFQGPLFDGAEJCH-UHFFFAOYSA-N;136.2;1.11;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_C5";;;;;;;0.81;;-0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM412433;MM412433;C=CC=C1C=C(CN)CC1;MKYDRQNNMPDWOR-UHFFFAOYSA-N;135.21;1.78;;;;;DOPC;MDCG;27;1;"MARTINI bead: SNd_SC4";;;;;;;2.2;;-1.66;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM412434;MM412434;N#CC12CC(CF)CC1N2;RUCCPYVZIYHDHM-UHFFFAOYSA-N;140.16;0.6;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC3_SP1";;;;;;;1.74;;0.29;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM412435;MM412435;C#CCCOC(C#C)=NN;QRBZGKLPBTWOGW-UHFFFAOYSA-N;136.15;-0.07;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_C5";;;;;;;0.54;;-1.09;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM412436;MM412436;CC(=CC=CF)C(C)(C)O;UQZOYJFCOVKEDX-UHFFFAOYSA-N;144.19;2.19;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4_C5";;;;;;;2.97;;0.45;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM412437;MM412437;C=Cc1[nH]cc(C#N)c1F;CMQZBMYLDYLHNC-UHFFFAOYSA-N;136.13;1.67;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNd_SNa";;;;;;;0.87;;-1.88;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM412438;MM412438;Cn1nnnc(N)c1=N;JNGSDGBOSURSDR-UHFFFAOYSA-N;126.12;-1.73;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP3_SP2";;;;;;;-2.2;;-5.19;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM412439;MM412439;CCC(F)(F)COC=NN;VZZMAUGTYQCIKV-UHFFFAOYSA-N;152.14;0.95;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_P1";;;;;;;0.81;;-0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM412440;MM412440;C=CC12CC(NC)CC1N2;ZGGPVVBSECNFMI-UHFFFAOYSA-N;138.21;0.26;;;;;DOPC;MDCG;27;1;"MARTINI bead: SNd_SNd";;;;;;;0.87;;-4.91;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM412441;MM412441;C#CC(=NN)OCC=CC;AECGHCGDIVYABY-UHFFFAOYSA-N;138.17;0.48;;;;;DOPC;MDCG;27;0;"MARTINI bead: C2_P2";;;;;;;1.72;;0.27;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM412442;MM412442;C=CC(C)(O)CCC=CC;PDINYISWXKFNMX-UHFFFAOYSA-N;140.23;2.28;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1_Nda";;;;;;;2.91;;0.57;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM412443;MM412443;N#Cc1c[nH]c(C#N)c1F;RBBOTLVFBNSIPB-UHFFFAOYSA-N;135.1;0.9;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNa_SNd";;;;;;;0.87;;-1.88;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM412444;MM412444;C#CC(C#C)C(C)C=CC;GKYCFIKXSRXYOT-UHFFFAOYSA-N;132.21;2.08;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1_N0";;;;;;;3.21;;0.46;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM412445;MM412445;C=CC(C)(C)COC=NN;GNVQEKIRYDFETI-UHFFFAOYSA-N;142.2;1.12;;;;;DOPC;MDCG;27;0;"MARTINI bead: C2_P1";;;;;;;2;;0.29;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM412446;MM412446;CNC1CC2NC2(C=O)C1;AMIGILLSOMPTSN-UHFFFAOYSA-N;140.19;-0.72;;;;;DOPC;MDCG;27;1;"MARTINI bead: SNd_SP1";;;;;;;0.04;;-5.11;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM412447;MM412447;C=CC1=NC(C)C(N)CN1;KAMPZTHAXGPAPE-UHFFFAOYSA-N;139.2;-0.11;;;;;DOPC;MDCG;27;1;"MARTINI bead: SNd_SP2";;;;;;;-0.24;;-6.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM412448;MM412448;C=Cc1coc(C=C)c1C;NNFWZFBMLVJNDH-UHFFFAOYSA-N;134.18;2.87;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC4_SC5";;;;;;;2.97;;0.45;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM412449;MM412449;O=CCCNC(CO)=NO;OGWNTUSSBXABCG-UHFFFAOYSA-N;146.15;-1.06;;;;;DOPC;MDCG;27;0;"MARTINI bead: P3_Na";;;;;;;-1.1;;-4.2;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM412450;MM412450;C#CC(C#C)C(C)C=CF;RCJBVGIUFOAFEE-UHFFFAOYSA-N;136.17;1.99;;;;;DOPC;MDCG;27;0;"MARTINI bead: C3_N0";;;;;;;2.87;;0.37;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM412451;MM412451;C=CC(C)(F)COC=NN;CAZXEBFUZFTURU-UHFFFAOYSA-N;146.17;0.82;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4_P1";;;;;;;1.37;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM412452;MM412452;CNC1CC2NC2(C#N)C1;FGMGXMXTPNBGJS-UHFFFAOYSA-N;137.19;-0.4;;;;;DOPC;MDCG;27;1;"MARTINI bead: SNd_SP1";;;;;;;0.04;;-4.41;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM412453;MM412453;N#CCCNC(CO)=NO;VOOMFLPPGBYZJK-UHFFFAOYSA-N;143.15;-0.73;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_P2";;;;;;;-1.34;;-4.31;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM412454;MM412454;CCC1=CCC(=N)N(C)C1;DMEJJJSNTSWNJC-UHFFFAOYSA-N;138.21;1.64;;;;;DOPC;MDCG;27;1;"MARTINI bead: SN0_SNd";;;;;;;1.17;;-5.36;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM412455;MM412455;C=Cc1coc(C=O)c1C;PDYFNIBCAXYFEP-UHFFFAOYSA-N;136.15;2.04;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC5_SNa";;;;;;;1.64;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM412456;MM412456;C#CC(C#C)C(O)C=CF;RQIZVSYCJMCCNO-UHFFFAOYSA-N;138.14;0.71;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda_N0";;;;;;;1.17;;-1.13;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM412457;MM412457;C=CC=C1C=C(CF)CC1;OOPDZXMTYSRULC-UHFFFAOYSA-N;138.19;2.79;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC5_SC4";;;;;;;2.97;;0.45;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM412458;MM412458;COC1CC2NC2(C=O)C1;KWNIMVZGQJFGNH-UHFFFAOYSA-N;141.17;-0.3;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC5_SP1";;;;;;;0.81;;-0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM412459;MM412459;CN1CC(CN)=CCC1=N;YOZOHYWMWGJDMS-UHFFFAOYSA-N;139.2;0.18;;;;;DOPC;MDCG;27;1;"MARTINI bead: SP2_SNd";;;;;;;-0.24;;-7.35;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM412460;MM412460;C=Cc1coc(C#N)c1C;ZDHLBKISPJFQKG-UHFFFAOYSA-N;133.15;2.1;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC5_SN0";;;;;;;1.94;;0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM412461;MM412461;C#CC(C#C)C(F)C=CF;PTWLUTQWRCXBPB-UHFFFAOYSA-N;140.13;1.69;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_N0";;;;;;;1.94;;0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM412462;MM412462;CN=C(NC)NCCC=O;OTCBCLXUGXPHGQ-UHFFFAOYSA-N;143.19;-0.63;;;;;DOPC;MDCG;27;1;"MARTINI bead: P2_Na";;;;;;;-0.24;;-7.97;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM412463;MM412463;O=CC=C1C=C(CF)CC1;HHKQLSKAWUSTJD-UHFFFAOYSA-N;140.16;1.8;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC5_SNa";;;;;;;1.64;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM412464;MM412464;COC1CC2NC2(C#N)C1;CATYYUSVCOTQSV-UHFFFAOYSA-N;138.17;0.03;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC5_SP1";;;;;;;0.81;;-0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM412465;MM412465;CC=CC=CC(C)(O)CC;LLPBLSAUSZAGIY-UHFFFAOYSA-N;140.23;2.28;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda_C1";;;;;;;2.91;;0.57;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM412466;MM412466;CN1CC(CO)=CCC1=N;RRBHQYYJUXBHBU-UHFFFAOYSA-N;140.19;0.22;;;;;DOPC;MDCG;27;1;"MARTINI bead: SP1_SNd";;;;;;;0.04;;-6.87;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM412467;MM412467;C=Cc1occ(C=O)c1C;VRNFBUYGJCIGAJ-UHFFFAOYSA-N;136.15;2.04;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNa_SC5";;;;;;;1.64;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM412468;MM412468;C#CC(C#C)N(N)C=NC;ZJISZRIVWNWRAC-UHFFFAOYSA-N;135.17;-0.54;;;;;DOPC;MDCG;27;0;"MARTINI bead: N0_P1";;;;;;;0.34;;-1.53;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM412469;MM412469;N#CC=C1C=C(CF)CC1;UTLLVUFKDDLJIZ-UHFFFAOYSA-N;137.16;2.13;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC5_SC5";;;;;;;2.41;;0.64;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM412470;MM412470;CCN1CC2NC2(C#N)C1;KJSCAYQLERHYBR-UHFFFAOYSA-N;137.19;-0.44;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNd_SP2";;;;;;;-0.24;;-3.16;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM412471;MM412471;C=Cc1occ(C#N)c1C;PJGXMKXHFKBEFL-UHFFFAOYSA-N;133.15;2.1;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC5_SN0";;;;;;;1.94;;0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM412472;MM412472;CCC(C)(O)C=CC=CF;LCEDHWLWDFBRGA-UHFFFAOYSA-N;144.19;2.19;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda_C4";;;;;;;2.2;;0.49;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM412473;MM412473;CN1CC(CF)=CCC1=N;ZYSVHBIZOYJOFF-UHFFFAOYSA-N;142.18;1.2;;;;;DOPC;MDCG;27;1;"MARTINI bead: SNa_SNd";;;;;;;0.87;;-6.14;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM412474;MM412474;O=CN1C=NC(CF)C1;MSFDMLHAQJWSPW-UHFFFAOYSA-N;130.12;-0.18;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP2_SP2";;;;;;;-1.34;;-4.31;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM412475;MM412475;C=CC=C1C=C(OC)CC1;GTRVHTAHMFJWMW-UHFFFAOYSA-N;136.19;2.42;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC5_SC4";;;;;;;2.97;;0.45;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM412476;MM412476;C=CC12CC(CC)CC1O2;PGCXWKIJNLUVCS-UHFFFAOYSA-N;138.21;2.13;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC1_SNa";;;;;;;2.91;;0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM412477;MM412477;CN=C(CO)NNCC#N;FSNFXHBZTRIQOL-UHFFFAOYSA-N;142.16;-1.38;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1_P3";;;;;;;-1.93;;-6.31;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM412478;MM412478;Cc1c(C=O)coc1C=O;TYWFGROUPCKNFS-UHFFFAOYSA-N;138.12;1.21;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNa_SNa";;;;;;;0.87;;-2.22;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM412479;MM412479;CCC1=CCC(=O)N(C)C1;ZRCKIMXGQPXIOB-UHFFFAOYSA-N;139.2;1.18;;;;;DOPC;MDCG;27;0;"MARTINI bead: SN0_SNda";;;;;;;1.17;;-1.13;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM412480;MM412480;C=C(C=CF)C(CN)CN;NPOUTAVHYPXTTK-UHFFFAOYSA-N;144.19;0.56;;;;;DOPC;MDCG;27;1;"MARTINI bead: P2_Nda";;;;;;;-0.24;;-6.01;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM412481;MM412481;COC1=CC(=CC=O)CC1;ORLXHMFJVGRMFV-UHFFFAOYSA-N;138.17;1.44;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC5_SNa";;;;;;;1.64;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM412482;MM412482;CCC1CC2OC2(C=O)C1;KGPZWPRAGANADH-UHFFFAOYSA-N;140.18;1.14;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC1_SNa";;;;;;;2.91;;0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM412483;MM412483;Cc1c(C=O)coc1C#N;BVHPJBASQRLYIW-UHFFFAOYSA-N;135.12;1.27;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNa_SN0";;;;;;;1.17;;-1.18;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM412484;MM412484;O=CCNNC(CO)=NO;KIQAKGQRTYKKOB-UHFFFAOYSA-N;147.13;-1.94;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_P3";;;;;;;-2.2;;-5.19;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM412485;MM412485;CN1CC(CN)=CCC1=O;YPCPUZLJZOVCRN-UHFFFAOYSA-N;140.19;-0.27;;;;;DOPC;MDCG;27;1;"MARTINI bead: SP2_SNda";;;;;;;-0.24;;-5.12;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM412486;MM412486;C=C(C=CF)C(CN)CF;RCYFGKOOSOARFD-UHFFFAOYSA-N;147.17;1.57;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nda_Na";;;;;;;0.87;;-4.67;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM412487;MM412487;CCC1CC2OC2(C#N)C1;YXUYHBFUYSGXJS-UHFFFAOYSA-N;137.18;1.47;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC1_SNa";;;;;;;2.91;;0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM412488;MM412488;COC1=CC(=CC#N)CC1;ROISJOLWYKXSEX-UHFFFAOYSA-N;135.17;1.76;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC5_SC5";;;;;;;2.41;;0.64;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM412489;MM412489;N#CCNNC(CO)=NO;QDEGPXNJQYVFKM-UHFFFAOYSA-N;144.13;-1.62;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_P3";;;;;;;-2.2;;-5.19;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM412490;MM412490;C=Cc1coc(C=C)c1N;SVJLITLYHSGSTH-UHFFFAOYSA-N;135.17;2.15;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNd_SC5";;;;;;;1.64;;0.02;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM412491;MM412491;CN1CC(CO)=CCC1=O;RHBDRIPXXCWUDD-UHFFFAOYSA-N;141.17;-0.23;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP1_SNda";;;;;;;0.04;;-2.73;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM412492;MM412492;C=C(C=CC)C(CO)CO;NKHJKANLLVBXQB-UHFFFAOYSA-N;142.2;0.72;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1_P3";;;;;;;0.94;;0.03;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM412493;MM412493;C#CC(C)(C)COC=NN;MLZNAQABITZTHD-UHFFFAOYSA-N;140.19;0.56;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4_P1";;;;;;;1.37;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM412494;MM412494;N#CC12CC(CF)CC1O2;XPDNGZPBMMVLSG-UHFFFAOYSA-N;141.15;1.03;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC3_SNa";;;;;;;2.57;;0.45;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM412495;MM412495;CN=C(NC)NNCC#N;QNLFYRDWVFQEHZ-UHFFFAOYSA-N;141.18;-1.19;;;;;DOPC;MDCG;27;1;"MARTINI bead: P2_P1";;;;;;;-1.06;;-7.18;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM412496;MM412496;CN1CC(CF)=CCC1=O;DRMLMPDVGIWYGY-UHFFFAOYSA-N;143.16;0.74;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNa_SNda";;;;;;;0.87;;-1.99;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM412497;MM412497;C=Cc1coc(C=O)c1N;XBDRCMNINBZWQR-UHFFFAOYSA-N;137.14;1.32;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNd_SNa";;;;;;;0.87;;-1.88;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM412498;MM412498;CCC(CC)C(=O)C=CN;LOUAOUNGOYIOAY-UHFFFAOYSA-N;141.21;1.46;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1_P2";;;;;;;1.8;;0.4;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM412499;MM412499;C=NN=C1C=C(CN)CC1;OWXNHDDXVIMRPQ-UHFFFAOYSA-N;137.19;0.72;;;;;DOPC;MDCG;27;1;"MARTINI bead: SNd_SC5";;;;;;;1.64;;-2.13;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM412500;MM412500;C=CC12CC(NC)CC1O2;WLLQLFWSRHGLDX-UHFFFAOYSA-N;139.2;0.69;;;;;DOPC;MDCG;27;1;"MARTINI bead: SNd_SNa";;;;;;;0.87;;-4.77;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM412501;MM412501;C=Cc1coc(C#N)c1N;OXDDJKNKECYJLN-UHFFFAOYSA-N;134.14;1.38;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC5_SNd";;;;;;;1.64;;0.02;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM412502;MM412502;CN=C(NO)NNCC=O;FHWUQYGXCBVTQH-UHFFFAOYSA-N;146.15;-1.76;;;;;DOPC;MDCG;27;1;"MARTINI bead: P2_P3";;;;;;;-2.2;;-7.53;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM412503;MM412503;CCC1=CCC(=N)N(N)C1;HBVAWVXPJMEFJQ-UHFFFAOYSA-N;139.2;0.88;;;;;DOPC;MDCG;27;1;"MARTINI bead: SN0_SP1";;;;;;;0.34;;-3.97;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM412504;MM412504;NC=CC(=O)C(CO)CO;XTIDYHJHASQLOZ-UHFFFAOYSA-N;145.16;-1.37;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_P3";;;;;;;-2.2;;-5.19;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM412505;MM412505;C=NN=C1C=C(CO)CC1;ZRFUMVBEUFUCCK-UHFFFAOYSA-N;138.17;0.76;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNda_SC5";;;;;;;1.64;;0.05;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM412506;MM412506;CNC1CC2OC2(C=O)C1;VOXCREDTIMNRDG-UHFFFAOYSA-N;141.17;-0.3;;;;;DOPC;MDCG;27;1;"MARTINI bead: SNd_SNa";;;;;;;0.87;;-4.48;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM412507;MM412507;COC(=N)N=C(N)C(C)=O;UQTIOJYCGQHMDJ-UHFFFAOYSA-N;143.15;-0.49;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_Na";;;;;;;-0.24;;-3.24;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM412508;MM412508;C=Cc1occ(C=O)c1N;VUBUBWDSTUMDGC-UHFFFAOYSA-N;137.14;1.32;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNda_SC5";;;;;;;1.64;;0.05;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM412509;MM412509;N=C1CC=C(CO)CN1N;VNOVLYSDDHRYGF-UHFFFAOYSA-N;141.17;-0.54;;;;;DOPC;MDCG;27;1;"MARTINI bead: SP1_SP1";;;;;;;-0.79;;-5.53;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM412510;MM412510;C=NN=CNC=CC#N;HQCWCUDHFXJLDI-UHFFFAOYSA-N;122.13;0.26;;;;;DOPC;MDCG;27;0;"MARTINI bead: N0_P1";;;;;;;0.34;;-1.53;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM412511;MM412511;C#CC(C)(F)COC=NN;GJTNJZPQWGHYPW-UHFFFAOYSA-N;144.15;0.27;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_P1";;;;;;;0.81;;-0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM412512;MM412512;CNC1CC2OC2(C#N)C1;KCTCISJGRYZJNL-UHFFFAOYSA-N;138.17;0.03;;;;;DOPC;MDCG;27;1;"MARTINI bead: SNd_SNa";;;;;;;0.87;;-3.75;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM412513;MM412513;C=Cc1occ(C#N)c1N;IHGUAKWPLXWOLT-UHFFFAOYSA-N;134.14;1.38;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC5_SNd";;;;;;;1.64;;0.02;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM412514;MM412514;C#CC(=O)C=NOC(C)C;RLIUVOZZNFDXHE-UHFFFAOYSA-N;139.15;0.6;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_P1";;;;;;;0.81;;-0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM412515;MM412515;C=C(C=NO)C(CO)CO;CDMHIMMMWNIGKC-UHFFFAOYSA-N;145.16;-0.4;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_P1";;;;;;;-0.79;;-3.13;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM412516;MM412516;N=C1CC=C(CF)CN1N;MJCPUJUQBNJDDS-UHFFFAOYSA-N;143.17;0.44;;;;;DOPC;MDCG;27;1;"MARTINI bead: SP1_SNa";;;;;;;0.04;;-4.93;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM412517;MM412517;C=NNC1=CC(=NC)CC1;VIRPAPRBRKFPSL-UHFFFAOYSA-N;137.19;0.94;;;;;DOPC;MDCG;27;1;"MARTINI bead: SC5_SC5";;;;;;;2.41;;-0.99;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM412518;MM412518;C=CC12CC(OC)CC1O2;GUALZYIYYMOANJ-UHFFFAOYSA-N;140.18;1.12;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC5_SNa";;;;;;;1.64;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM412519;MM412519;N#Cc1coc(C=O)c1N;WWYAVWKYSXALAS-UHFFFAOYSA-N;136.11;0.55;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNa_SNd";;;;;;;0.87;;-1.88;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM412520;MM412520;C#CCC(=C)CC(O)CC;FZODYMCQEDSILV-UHFFFAOYSA-N;138.21;1.73;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda_C4";;;;;;;2.2;;0.49;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM412521;MM412521;CCC1=CCC(=O)N(N)C1;CZHQRDFTMCKRRL-UHFFFAOYSA-N;140.19;0.43;;;;;DOPC;MDCG;27;0;"MARTINI bead: SN0_SP1";;;;;;;0.34;;-1.53;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM412522;MM412522;CCC(CC)C(=O)C=NO;UMHYKCSEUFGZRS-UHFFFAOYSA-N;143.19;1.45;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1_P1";;;;;;;2.08;;0.51;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM412523;MM412523;CC(=O)N(C)OC(C)=NN;PGDHCQGFGKVQGV-UHFFFAOYSA-N;145.16;-0.31;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_Nd";;;;;;;-0.24;;-3.16;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM412524;MM412524;COC1CC2OC2(C=O)C1;FUACILMZRJOYJY-UHFFFAOYSA-N;142.15;0.13;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC5_SNa";;;;;;;1.64;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM412525;MM412525;C#CC(=NN)OCC=NN;JATLCCJNTBRQGQ-UHFFFAOYSA-N;140.15;-1.15;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nd_P2";;;;;;;-0.24;;-3.16;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM412526;MM412526;C=C(C=CF)C(CC)NC;USFAEUIKQMUZTJ-UHFFFAOYSA-N;143.21;2.02;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_C4";;;;;;;2.2;;-1.99;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM412527;MM412527;COC(=NO)NNCC#N;AXJTWKLQQLEVJZ-UHFFFAOYSA-N;144.13;-1;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_P1";;;;;;;-1.06;;-3.82;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM412528;MM412528;N#Cc1occ(C=O)c1N;QMLHGOWEKCBMCO-UHFFFAOYSA-N;136.11;0.55;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNa_SNd";;;;;;;0.87;;-1.88;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM412529;MM412529;C=NNC1=CC(CC)=NC1;GDSFHXQACQPDJJ-UHFFFAOYSA-N;137.19;0.94;;;;;DOPC;MDCG;27;1;"MARTINI bead: SC5_SNd";;;;;;;1.64;;-1.4;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM412530;MM412530;CCN1CC2OC2(C#N)C1;ZVPNGSVTGHNZOT-UHFFFAOYSA-N;138.17;-0.02;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNd_SP2";;;;;;;-0.24;;-3.16;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM412531;MM412531;C=C(C=CC)C(CN)NC;NQPLAZFHMOBKNW-UHFFFAOYSA-N;140.23;0.67;;;;;DOPC;MDCG;27;1;"MARTINI bead: C5_P2";;;;;;;0.54;;-3.33;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM412532;MM412532;C#CC(=NN(C)C)C(C)=O;JOWYFNRUOVTWFL-UHFFFAOYSA-N;138.17;0.13;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_Na";;;;;;;0.04;;-2.54;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM412533;MM412533;NN1CC(CF)=CCC1=O;PQVSKFSYIVPMML-UHFFFAOYSA-N;144.15;-0.01;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNa_SP1";;;;;;;0.04;;-2.54;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM412534;MM412534;N#Cc1coc(C#N)c1N;IPLKQYZGQBKNOH-UHFFFAOYSA-N;133.11;0.61;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNd_SN0";;;;;;;1.17;;-1.04;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM412535;MM412535;CC(NC(=N)C#N)=C(F)F;GGXBAVXQKHASKA-UHFFFAOYSA-N;145.11;1.2;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_C4";;;;;;;1.09;;-0.38;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM412536;MM412536;C=C(C=CF)C(CN)NC;GCPFZYJGWXMMIZ-UHFFFAOYSA-N;144.19;0.57;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nda_P2";;;;;;;-0.24;;-5.56;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM412537;MM412537;C=CC12CC(CN)CN1C2;QGFDVBJQDLQFBT-UHFFFAOYSA-N;138.21;0.21;;;;;DOPC;MDCG;27;1;"MARTINI bead: SP2_SNd";;;;;;;-0.24;;-5.62;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM412538;MM412538;N=C1CC=C(CN)CN1O;ITMHVWZKHWZEAD-UHFFFAOYSA-N;141.17;-0.06;;;;;DOPC;MDCG;27;1;"MARTINI bead: SP2_SP1";;;;;;;-1.06;;-5.1;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM412539;MM412539;C=CCONC(=NN)NN;XRDIFGPINHVORL-UHFFFAOYSA-N;145.17;-1.61;;;;;DOPC;MDCG;27;1;"MARTINI bead: P4_Nda";;;;;;;-1.19;;-5.89;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM412540;MM412540;C=CCN(C)C=NC(C)=O;YBJJBBILGWJMPP-UHFFFAOYSA-N;140.19;0.68;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_N0";;;;;;;0.34;;-1.53;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM412541;MM412541;C=Cc1coc(C=C)c1F;TZKAENRIUWROAN-UHFFFAOYSA-N;138.14;2.7;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC5_SC5";;;;;;;2.41;;0.64;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM412542;MM412542;CCC(NC)C(=O)C=CN;LCQPQTKPXBOOKC-UHFFFAOYSA-N;142.2;0.03;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_P2";;;;;;;-0.24;;-4.44;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM412543;MM412543;CNN=CON=CC(C)F;PCWIGAWULCBSCF-UHFFFAOYSA-N;147.15;0.51;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_C5";;;;;;;0.54;;-1.09;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM412544;MM412544;CC=CCCC(O)C(C)C;BYRPSDZMXICJEX-UHFFFAOYSA-N;142.24;2.36;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1_Nda";;;;;;;2.91;;0.57;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM412545;MM412545;COC1=CCC(=N)N(C)C1;SWHDKPKALQCYDN-UHFFFAOYSA-N;140.19;0.83;;;;;DOPC;MDCG;27;1;"MARTINI bead: SNa_SNd";;;;;;;0.87;;-5.58;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM412546;MM412546;C=CC=C1C=C(CC)OC1;BVOXZCFRCUBLOI-UHFFFAOYSA-N;136.19;2.42;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC5_SC5";;;;;;;2.41;;0.64;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM412547;MM412547;C=Cc1coc(C#N)c1F;YYIIUGSBZUQJGA-UHFFFAOYSA-N;137.11;1.93;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC5_SNa";;;;;;;1.64;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM412548;MM412548;C=C(C=NO)C(CC)NC;WKMOZQRFZSKUBC-UHFFFAOYSA-N;142.2;1;;;;;DOPC;MDCG;27;1;"MARTINI bead: C5_P2";;;;;;;0.54;;-3.1;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM412549;MM412549;C=CC=C1C=C(CN)OC1;IUTVLSJUMSGFIX-UHFFFAOYSA-N;137.18;0.97;;;;;DOPC;MDCG;27;1;"MARTINI bead: SP2_SC5";;;;;;;0.54;;-2.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM412550;MM412550;COC1=CCC(=O)N(C)C1;NNBKBAUNYDHMLC-UHFFFAOYSA-N;141.17;0.38;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNa_SNda";;;;;;;0.87;;-1.99;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM412551;MM412551;CC(C)C(O)CCC=CF;CZJHQFIZXNRWLS-UHFFFAOYSA-N;146.21;2.27;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda_C3";;;;;;;2.57;;0.44;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM412552;MM412552;C#CCC(=C)C(C)C(C)O;QRCHWALSQGMOMC-UHFFFAOYSA-N;138.21;1.58;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_C1";;;;;;;2.08;;0.48;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM412553;MM412553;C=Cc1occ(C#N)c1F;DALJYFAUVQNSDN-UHFFFAOYSA-N;137.11;1.93;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC5_SNa";;;;;;;1.64;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM412554;MM412554;C=C(C=NN)C(CO)NC;BLRRQWFOCMLGDE-UHFFFAOYSA-N;143.19;-0.93;;;;;DOPC;MDCG;27;1;"MARTINI bead: P2_P1";;;;;;;-1.06;;-5.16;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM412555;MM412555;COC1=CCC(=N)N(N)C1;MTLUWAQAJNXCGC-UHFFFAOYSA-N;141.17;0.07;;;;;DOPC;MDCG;27;1;"MARTINI bead: SNa_SP1";;;;;;;0.04;;-4.34;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM412556;MM412556;C=CC=C1C=C(CO)OC1;GWUBTSKQHXVMRW-UHFFFAOYSA-N;138.17;1.01;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP1_SC5";;;;;;;0.81;;-0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM412557;MM412557;COC(=NO)NOCC=O;PTYIQIIHJHFPCQ-UHFFFAOYSA-N;148.12;-0.9;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_P2";;;;;;;-1.34;;-4.31;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM412558;MM412558;O=CC12CC(CF)CN1C2;MBHPFGBRNUHFMR-UHFFFAOYSA-N;143.16;0.23;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNa_SP1";;;;;;;0.04;;-2.54;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM412559;MM412559;N#Cc1coc(C#N)c1F;RMBAMNSYMFMKIU-UHFFFAOYSA-N;136.09;1.16;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNa_SN0";;;;;;;1.17;;-1.18;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM412560;MM412560;C=C(C=CF)C(CO)OC;GJEIOONPKXSLAT-UHFFFAOYSA-N;146.16;1.03;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_C5";;;;;;;0.81;;-0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM412561;MM412561;C=CCCOC(=CC)CC;YHTDJMHIJQYYPR-UHFFFAOYSA-N;140.23;2.89;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4_C3";;;;;;;3.9;;0.47;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM412562;MM412562;C=CC=C1C=C(CF)OC1;HADJTXPMFFUUTE-UHFFFAOYSA-N;140.16;1.98;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNa_SC5";;;;;;;1.64;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM412563;MM412563;COC1=CCC(=O)N(N)C1;ISZTWPOIUQWLFQ-UHFFFAOYSA-N;142.16;-0.38;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNa_SP1";;;;;;;0.04;;-2.54;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM412564;MM412564;CNC1CN2CC2(C=O)C1;IMAUVUHTNYUCGP-UHFFFAOYSA-N;140.19;-0.77;;;;;DOPC;MDCG;27;1;"MARTINI bead: SP1_SP1";;;;;;;-0.79;;-5.41;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM412565;MM412565;C=NNC=NC(=CF)CC;VYFJPSBQLDGOEL-UHFFFAOYSA-N;143.17;1.44;;;;;DOPC;MDCG;27;0;"MARTINI bead: C3_P2";;;;;;;1.46;;-0.15;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM412566;MM412566;COC(CF)C(=O)C=CN;KSVSHTGMXFWMDH-UHFFFAOYSA-N;147.15;0.01;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_P2";;;;;;;-0.24;;-3.24;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM412567;MM412567;C=CC1=CCC(=N)N(C)C1;WWVLPCCFTROVSB-UHFFFAOYSA-N;136.2;1.41;;;;;DOPC;MDCG;27;1;"MARTINI bead: SN0_SNd";;;;;;;1.17;;-5.27;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM412568;MM412568;C=NN=C1C=C(CC)OC1;FDRWCMUQCUSYNN-UHFFFAOYSA-N;138.17;1.37;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC5_SN0";;;;;;;1.94;;0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM412569;MM412569;CC=C(CC)OCCC=O;RPFMVHZAKNRZDC-UHFFFAOYSA-N;142.2;1.91;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4_Na";;;;;;;2.2;;0.34;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM412570;MM412570;CNC1CN2CC2(C#N)C1;OVHXTYSGBPRHGP-UHFFFAOYSA-N;137.19;-0.44;;;;;DOPC;MDCG;27;1;"MARTINI bead: SP1_SNd";;;;;;;0.04;;-4.19;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM412571;MM412571;O=c1nnc(O)c(O)o1;YDLJMKWPDKSYFQ-UHFFFAOYSA-N;130.06;-1.16;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP3_SP2";;;;;;;-2.2;;-9.63;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM412572;MM412572;C=C(C=CF)C(OC)OC;IHJRLQCHZMXILS-UHFFFAOYSA-N;146.16;1.64;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_C4";;;;;;;1.37;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM412573;MM412573;CN1CC(C#N)=CCC1=N;SPUKIFVZUMFMQX-UHFFFAOYSA-N;135.17;0.75;;;;;DOPC;MDCG;27;1;"MARTINI bead: SP1_SNd";;;;;;;0.04;;-6.6;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM412574;MM412574;C=NN=C1C=C(CN)OC1;SQGGTKRDUOSBOX-UHFFFAOYSA-N;139.16;-0.08;;;;;DOPC;MDCG;27;1;"MARTINI bead: SP2_SN0";;;;;;;0.06;;-3.63;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM412575;MM412575;CC=C(CC)OCCC#N;FSELJXNXDDTBFD-UHFFFAOYSA-N;139.2;2.23;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4_P1";;;;;;;1.37;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM412576;MM412576;CNN=C(C)C(C=O)NC;NNDYOJXSENYCCQ-UHFFFAOYSA-N;143.19;-0.63;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nd_P2";;;;;;;-0.24;;-3.16;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM412577;MM412577;C=CC12CC(OC)CN1C2;QPYZOCUOBAJKLD-UHFFFAOYSA-N;139.2;0.65;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP1_SNd";;;;;;;0.04;;-2.63;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM412578;MM412578;CC=CC(=O)N(CC)CC;TXHUHDDZTWDOAJ-UHFFFAOYSA-N;141.21;1.43;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda_C4";;;;;;;2.2;;0.49;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM412579;MM412579;C=CC1=CCC(=O)N(C)C1;RGFIBVKIUFQCAV-UHFFFAOYSA-N;137.18;0.96;;;;;DOPC;MDCG;27;0;"MARTINI bead: SN0_SNda";;;;;;;1.17;;-1.13;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM412580;MM412580;CCC(=CF)OCCC=O;OMBCYOLWKIHCJC-UHFFFAOYSA-N;146.16;1.81;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_Na";;;;;;;0.87;;-2.22;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM412581;MM412581;C=CC(C)CC1(O)CC1C;OJSZZXOHOWQLKB-UHFFFAOYSA-N;140.23;1.97;;;;;DOPC;MDCG;27;0;"MARTINI bead: C2_SNda";;;;;;;2.83;;0.57;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM412582;MM412582;NNC(=O)C#CC(=O)O;NZLBDPPYSYFICU-UHFFFAOYSA-N;128.09;-1.94;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_P1";;;;;;;-1.06;;-9.04;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM412583;MM412583;COC1CN2CC2(C#N)C1;HSALZNVOUWLYSD-UHFFFAOYSA-N;138.17;-0.02;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP1_SNd";;;;;;;0.04;;-2.63;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM412584;MM412584;CC=CC(=O)N(CC)NC;GWSFYSUGGFTWOJ-UHFFFAOYSA-N;142.2;0.55;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_C4";;;;;;;1.09;;-0.38;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM412585;MM412585;CN1CC(C=O)=CCC1=O;ZSXIJTVSKLAZQT-UHFFFAOYSA-N;139.15;-0.03;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP1_SNda";;;;;;;0.04;;-2.73;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM412586;MM412586;CCC1=CC(NC=N)=NC1;HTPUXHAXPVBFCL-UHFFFAOYSA-N;137.19;0.93;;;;;DOPC;MDCG;27;1;"MARTINI bead: SC4_SP1";;;;;;;1.37;;-1.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM412587;MM412587;CN1C(=N)CC(F)=CC1=O;SKBSRKYQBSGOOB-UHFFFAOYSA-N;142.13;0.68;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP1_SNa";;;;;;;0.04;;-8.37;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM412588;MM412588;C=CCCOC(=CC)CO;NQEDXJLZYNTEHW-UHFFFAOYSA-N;142.2;1.48;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_C3";;;;;;;1.74;;0.29;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM412589;MM412589;C=CC1CC2CC2(C=C)C1;DLYDRVBXQWGMTI-UHFFFAOYSA-N;134.22;2.77;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC2_SC4";;;;;;;4.16;;0.44;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM412590;MM412590;C=CC=NNC=CC=O;BEPJFJAAKZYZKN-UHFFFAOYSA-N;124.14;0.46;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nd_Na";;;;;;;0.87;;-1.88;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM412591;MM412591;CN1CC(C#N)=CCC1=O;CGLKILXWZXOQRC-UHFFFAOYSA-N;136.15;0.3;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP1_SNda";;;;;;;0.04;;-2.73;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM412592;MM412592;N=CNC1=NCC(CN)=C1;XIIFINOETSKDGR-UHFFFAOYSA-N;138.17;-0.52;;;;;DOPC;MDCG;27;1;"MARTINI bead: SP1_SP1";;;;;;;-0.79;;-4.99;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM412593;MM412593;CC=C(CF)OCCC=O;HIFLRUYXXNZLIM-UHFFFAOYSA-N;146.16;1.47;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_Na";;;;;;;0.87;;-2.22;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM412594;MM412594;CCC1C=CC(=NN)C1C;DDURJIMKTPJZHH-UHFFFAOYSA-N;138.21;1.53;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC2_SC5";;;;;;;3.6;;0.34;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM412595;MM412595;CCN(OC)C(=O)C=CF;OEDKPVPSDIHYMJ-UHFFFAOYSA-N;147.15;0.88;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_C5";;;;;;;1.64;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM412596;MM412596;C=CC12CC(C=O)CC1C2;PIOKYGHLEFLRMV-UHFFFAOYSA-N;136.19;1.79;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC4_SNa";;;;;;;2.2;;0.34;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM412597;MM412597;C=CC1=CCC(=N)N(N)C1;IESGESNJEWGWIM-UHFFFAOYSA-N;137.19;0.66;;;;;DOPC;MDCG;27;1;"MARTINI bead: SN0_SP1";;;;;;;0.34;;-3.88;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM412598;MM412598;N=CNC1=NCC(CO)=C1;IIWLKGJZWRNOGB-UHFFFAOYSA-N;139.16;-0.49;;;;;DOPC;MDCG;27;1;"MARTINI bead: SP1_SP1";;;;;;;-0.79;;-4.65;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM412599;MM412599;CCC(=CF)OCOC=O;YVAUYKMVRHXEHI-UHFFFAOYSA-N;148.13;1.35;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_C3";;;;;;;1.46;;-0.15;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM412600;MM412600;C=CC(CC)C(=C)C=CF;OBGAFTMMROPPEE-UHFFFAOYSA-N;140.2;3.24;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1_C4";;;;;;;4.24;;0.42;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM412601;MM412601;FCC#CCON=CCF;BCYZMRGDQRDKLK-UHFFFAOYSA-N;147.12;0.93;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_Na";;;;;;;0.87;;-2.22;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM412602;MM412602;C=CC12CC(C#N)CC1C2;ZGJNRBIWDNQVFG-UHFFFAOYSA-N;133.19;2.11;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC4_SC5";;;;;;;2.97;;0.45;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM412603;MM412603;N=CNC1=NCC(CF)=C1;OQASLTZBVKPHDL-UHFFFAOYSA-N;141.15;0.49;;;;;DOPC;MDCG;27;1;"MARTINI bead: SNa_SP1";;;;;;;0.04;;-4.04;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM412604;MM412604;C=CC1=CCC(=O)N(N)C1;MKJNFZTWUXLDNR-UHFFFAOYSA-N;138.17;0.2;;;;;DOPC;MDCG;27;0;"MARTINI bead: SN0_SP1";;;;;;;0.34;;-1.53;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM412605;MM412605;CC=C(CN)OCOC=O;GUIZUPLBTHELAP-UHFFFAOYSA-N;145.16;;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1_P1";;;;;;;-0.79;;-4.57;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM412606;MM412606;C=C(C=CF)C(C=O)CC;RXJSEMWVGPJONY-UHFFFAOYSA-N;142.17;2.25;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_C4";;;;;;;2.97;;0.45;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM412607;MM412607;O=c1nn[nH]nc1C=CF;FRKXHIOTBNOINH-UHFFFAOYSA-N;142.09;-0.5;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP2_SP2";;;;;;;-1.34;;-9.58;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM412608;MM412608;C=CC1CC2CC2(C=O)C1;XCOGIBRWALVAJS-UHFFFAOYSA-N;136.19;1.79;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC2_SNa";;;;;;;2.83;;0.35;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM412609;MM412609;CNC1=CC(NC=N)=NC1;JJSSNXXAMKOONH-UHFFFAOYSA-N;138.17;-0.3;;;;;DOPC;MDCG;27;1;"MARTINI bead: SNd_SP1";;;;;;;0.04;;-4.04;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM412610;MM412610;C#CC1=CCC(=O)N(C)C1;GMTRRMUNHGNYFT-UHFFFAOYSA-N;135.17;0.41;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP1_SNda";;;;;;;0.04;;-2.73;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM412611;MM412611;C=NOCOC(=CC)CC;JKRJDRZXLCTJMP-UHFFFAOYSA-N;143.19;1.91;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4_P1";;;;;;;1.37;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM412612;MM412612;C=CC(CN)C(=C)C=CC;POVAAEUUKVTHLV-UHFFFAOYSA-N;137.23;1.88;;;;;DOPC;MDCG;27;1;"MARTINI bead: C1_Nd";;;;;;;2.91;;-0.49;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM412613;MM412613;N#Cc1n[nH]c(C#N)c1N;YVDBLNZHUKJPOB-UHFFFAOYSA-N;133.11;-0.26;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNda_SP1";;;;;;;0.04;;-2.73;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM412614;MM412614;C=CC1CC2CC2(C#N)C1;HRKWVUHCZWBYSL-UHFFFAOYSA-N;133.19;2.11;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC2_SC5";;;;;;;3.6;;0.34;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM412615;MM412615;C#CC1=CCC(=O)N(N)C1;ZSGOSZVPKAFXCM-UHFFFAOYSA-N;136.15;-0.35;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP1_SP1";;;;;;;-0.79;;-3.13;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM412616;MM412616;C#CCC(=NN)OC(C)=O;NOHHOVATKWTOLO-UHFFFAOYSA-N;140.14;-0.16;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_N0";;;;;;;0.34;;-1.53;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM412617;MM412617;CNN=c1oc(C)c(F)o1;HDVLRBBURZXDQR-UHFFFAOYSA-N;146.12;0.36;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_SNa";;;;;;;-0.24;;-3.24;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM412618;MM412618;C=CC#CCON=CCF;KZOVDGAPDYFYAH-UHFFFAOYSA-N;141.15;1.15;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_C4";;;;;;;1.37;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM412619;MM412619;O=CC1CC2CC2(C=O)C1;FMDDTGZUKWMHCY-UHFFFAOYSA-N;138.17;0.8;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNa_SNa";;;;;;;0.87;;-2.22;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM412620;MM412620;CC=CC(C)CC(O)CC;QERVLLSWTDFXRU-UHFFFAOYSA-N;142.24;2.36;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda_C1";;;;;;;2.91;;0.57;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM412621;MM412621;Cn1oc(=N)nc(N)c1=O;OQNDTAHZYQOSHV-UHFFFAOYSA-N;142.12;-1.57;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP2_SP3";;;;;;;-2.2;;-5.19;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM412622;MM412622;C=C1CC(CC)=CCC1C;NMTPLNAMJXOYIK-UHFFFAOYSA-N;136.24;3.31;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC1_SC2";;;;;;;4.87;;0.53;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM412623;MM412623;C=C(C)OC(C=CN)=NN;GYTNVTZMIGRIKZ-UHFFFAOYSA-N;141.17;0.28;;;;;DOPC;MDCG;27;0;"MARTINI bead: N0_P1";;;;;;;0.34;;-1.53;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM412624;MM412624;C=C(C=CC)C(C#N)CO;BOYRVJKQPHOMCP-UHFFFAOYSA-N;137.18;1.25;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1_P2";;;;;;;1.8;;0.4;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM412625;MM412625;C=Cc1[nH]nc(C#N)c1F;QSARBBSPPMNJFL-UHFFFAOYSA-N;137.12;1.06;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNd_SNda";;;;;;;0.87;;-1.92;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM412626;MM412626;N#CC1CC2CC2(C=O)C1;HHLAIMIILXTIHM-UHFFFAOYSA-N;135.17;1.13;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNa_SC5";;;;;;;1.64;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM412627;MM412627;C=C1CC(CN)=CCC1F;ZBQKNDHZIUEVGR-UHFFFAOYSA-N;141.19;1.56;;;;;DOPC;MDCG;27;1;"MARTINI bead: SNd_SC4";;;;;;;2.2;;-1.66;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM412628;MM412628;N#CC=CNCC(=O)O;QBAWLTYXXWOVGB-UHFFFAOYSA-N;126.12;-0.3;;;;;DOPC;MDCG;27;0;"MARTINI bead: P4_N0";;;;;;;-0.88;;-7.38;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM412629;MM412629;CCOC(C=C(N)N)=NN;VOBOANQNZLLAFM-UHFFFAOYSA-N;144.18;-0.95;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda_P2";;;;;;;-0.24;;-3.31;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM412630;MM412630;CCC(C#N)C(=O)C=CF;KVYSWMLJAKRZFY-UHFFFAOYSA-N;141.15;1.59;;;;;DOPC;MDCG;27;0;"MARTINI bead: N0_Na";;;;;;;1.17;;-1.18;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM412631;MM412631;C=Cc1noc(C=C)c1C;ZGWAXCZPIZVIDP-UHFFFAOYSA-N;135.17;2.27;;;;;DOPC;MDCG;27;0;"MARTINI bead: SN0_SN0";;;;;;;1.47;;-0.05;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM412632;MM412632;C=CC1CC2(C=C)CC2N1;WQVOYRBBGSFCKK-UHFFFAOYSA-N;135.21;1.48;;;;;DOPC;MDCG;27;1;"MARTINI bead: SNd_SP1";;;;;;;0.04;;-5.34;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM412633;MM412633;C=C1CC(OC)=CCC1N;PKDTZLZZCQYSSD-UHFFFAOYSA-N;139.2;1.19;;;;;DOPC;MDCG;27;1;"MARTINI bead: SC5_SNd";;;;;;;1.64;;-2.36;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM412634;MM412634;C=CC1(O)CC=C(CC)C1;RHZKGUVVSJWFMA-UHFFFAOYSA-N;138.21;2.03;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC2_SNda";;;;;;;2.83;;0.57;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM412635;MM412635;CC=CC(=O)C(C#N)CO;HTBUSOLGNBIXOY-UHFFFAOYSA-N;139.15;0.26;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_P2";;;;;;;-0.24;;-3.24;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM412636;MM412636;C=NNc1cc(CN)[nH]n1;UJVHYYXLOUIBCZ-UHFFFAOYSA-N;139.16;-0.1;;;;;DOPC;MDCG;27;1;"MARTINI bead: SP2_SNda";;;;;;;-0.24;;-4.37;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM412637;MM412637;C=Cc1noc(C=O)c1C;FYBFSRXTCBQZMZ-UHFFFAOYSA-N;137.14;1.44;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNa_SNa";;;;;;;0.87;;-2.22;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM412638;MM412638;C=CC12CC(C=O)NC1C2;DIJMKQONHVXBAP-UHFFFAOYSA-N;137.18;0.49;;;;;DOPC;MDCG;27;1;"MARTINI bead: SP1_SP1";;;;;;;-0.79;;-4.58;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM412639;MM412639;C=C1N=C(CN)NCC1N;ZSVSYLHUEQZASI-UHFFFAOYSA-N;140.19;-1.21;;;;;DOPC;MDCG;27;1;"MARTINI bead: SP1_SP2";;;;;;;-1.06;;-5.7;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM412640;MM412640;NN=C(CO)OCOC=O;IUYNDOHKCWLGNU-UHFFFAOYSA-N;148.12;-1.6;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_P1";;;;;;;-1.06;;-3.82;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM412641;MM412641;N#CC(CO)C(=O)C=CN;WZGBLZQGJHCQTO-UHFFFAOYSA-N;140.14;-0.84;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_P2";;;;;;;-1.34;;-4.31;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM412642;MM412642;C=Cc1onc(C=O)c1C;CVGMFRFBRVCPHX-UHFFFAOYSA-N;137.14;1.44;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNa_SN0";;;;;;;1.17;;-1.18;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM412643;MM412643;C=COC(C=C(C)C)=NN;ZIADKLNSJQKRLX-UHFFFAOYSA-N;140.19;1.38;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4_Nda";;;;;;;2.2;;0.49;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM412644;MM412644;C=CC1CC2(C=O)CC2N1;ABKHQBDVZMVOPH-UHFFFAOYSA-N;137.18;0.49;;;;;DOPC;MDCG;27;1;"MARTINI bead: SNd_SP1";;;;;;;0.04;;-4.93;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM412645;MM412645;C#CC(=NN)OCC#CC;JPAWYGLZBAVJME-UHFFFAOYSA-N;136.15;-0.07;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4_P2";;;;;;;1.09;;-0.38;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM412646;MM412646;COC(=NN)OC(C)=NN;XTUGWLKACXZYMC-UHFFFAOYSA-N;146.15;-0.83;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_Nd";;;;;;;-0.24;;-3.16;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM412647;MM412647;C=Cc1onc(C#N)c1C;OWKIWCGEAFMXBV-UHFFFAOYSA-N;134.14;1.5;;;;;DOPC;MDCG;27;0;"MARTINI bead: SN0_SNa";;;;;;;1.17;;-1.18;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM412648;MM412648;C=COC(C=C(C)F)=NN;PVPVQNNNMUJIIZ-UHFFFAOYSA-N;144.15;1.29;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_Nda";;;;;;;1.64;;0.05;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM412649;MM412649;N#CC(CO)C(=O)C=CF;FRMGJLJMROKJCI-UHFFFAOYSA-N;143.12;0.17;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_Na";;;;;;;-0.24;;-3.24;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM412650;MM412650;N#CC1CC2(C#N)CC2N1;ROGBKDFXLJVYSY-UHFFFAOYSA-N;133.15;0.15;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP1_SP1";;;;;;;-0.79;;-3.13;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM412651;MM412651;CNC(=NO)OCCC=O;ANDLDWZHGKRJTA-UHFFFAOYSA-N;146.15;-0.44;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_P1";;;;;;;-1.06;;-3.82;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM412652;MM412652;C=C1N=C(CC)NCC1F;LZAYZRMTFHZHMH-UHFFFAOYSA-N;142.18;1.25;;;;;DOPC;MDCG;27;1;"MARTINI bead: SC5_SNa";;;;;;;1.64;;-2.48;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM412653;MM412653;C=COC(=O)CNCC=O;PAKDEFNDSACIRH-UHFFFAOYSA-N;143.14;-0.54;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_P2";;;;;;;-0.24;;-3.24;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM412654;MM412654;Cc1c(C=O)noc1C=O;DKZPFTAYNUMCGN-UHFFFAOYSA-N;139.11;0.61;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNa_SNa";;;;;;;0.87;;-2.22;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM412655;MM412655;C=CC1CC2(C=C)CC2O1;SWCPJNNCWPFCMK-UHFFFAOYSA-N;136.19;1.91;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNa_SN0";;;;;;;1.17;;-1.18;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM412656;MM412656;C=COC(C=C(N)N)=NN;CMRDTVYVBIVLRF-UHFFFAOYSA-N;142.16;-0.82;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda_P2";;;;;;;-0.24;;-3.31;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM412657;MM412657;O=CCCOC(=NO)NO;OAQOHAGKMKXMGE-UHFFFAOYSA-N;148.12;-0.68;;;;;DOPC;MDCG;27;0;"MARTINI bead: P3_Na";;;;;;;-1.1;;-4.2;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM412658;MM412658;C=C1NC(NO)=NCC1C;LDUJXMXGTIUBPC-UHFFFAOYSA-N;141.17;0.07;;;;;DOPC;MDCG;27;1;"MARTINI bead: SP2_SN0";;;;;;;0.06;;-4.75;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM412659;MM412659;C=CC(NC)C(=C)C=CF;BZFCEFYARGESND-UHFFFAOYSA-N;141.19;1.8;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_C5";;;;;;;1.64;;-1.65;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM412660;MM412660;N#CCCOC(=NO)NO;HSBXRFOKFDBTEY-UHFFFAOYSA-N;145.12;-0.36;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_P1";;;;;;;-1.06;;-3.82;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM412661;MM412661;Cc1c(C#N)noc1C=O;KJSQSWGBMSSXOH-UHFFFAOYSA-N;136.11;0.67;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNa_SNa";;;;;;;0.87;;-2.22;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM412662;MM412662;C=C1CC(C)(O)C(=C)C1=C;LIMWYTYNYTYPCJ-UHFFFAOYSA-N;136.19;1.81;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNda_SC4";;;;;;;2.2;;0.49;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM412663;MM412663;C=CC12CC(C#N)OC1C2;JUWKUIYEGPNRRO-UHFFFAOYSA-N;135.17;1.24;;;;;DOPC;MDCG;27;0;"MARTINI bead: SN0_SNa";;;;;;;1.17;;-1.18;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM412664;MM412664;CC1CN=C(NO)NC1=N;ANSIBTVCUFJCNU-UHFFFAOYSA-N;142.16;-0.46;;;;;DOPC;MDCG;27;1;"MARTINI bead: SP2_SP1";;;;;;;-1.06;;-5.83;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM412665;MM412665;CC=NNCC(=O)CCC;HXIFTLLYNHDNMH-UHFFFAOYSA-N;142.2;0.95;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_Nd";;;;;;;0.87;;-1.88;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM412666;MM412666;CN1NC(C)(C=O)CC1=O;UDUUPRYLAKNSDZ-UHFFFAOYSA-N;142.16;-0.69;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP2_SP3";;;;;;;-2.2;;-5.19;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM412667;MM412667;C=COCOC(=NO)NC;DTSHILQKEMKSSQ-UHFFFAOYSA-N;146.15;0.09;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_P1";;;;;;;-0.79;;-3.13;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM412668;MM412668;Cc1c(C=O)noc1C#N;TYNJYVWGRQDXSO-UHFFFAOYSA-N;136.11;0.67;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNa_SN0";;;;;;;1.17;;-1.18;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM412669;MM412669;C=CC1CC2(C#N)CC2O1;OUAHLXJJSGSCFN-UHFFFAOYSA-N;135.17;1.24;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNa_SP1";;;;;;;0.04;;-2.54;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM412670;MM412670;C=C1OC(CO)=CCC1O;NOVGVGNXRBQUHS-UHFFFAOYSA-N;142.15;0.16;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNda_SNda";;;;;;;0.87;;-2.07;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM412671;MM412671;C=C(C=CF)N(C=O)CC;SBTAPRMINIFQJR-UHFFFAOYSA-N;143.16;1.46;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda_C5";;;;;;;1.64;;0.05;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM412672;MM412672;N=CNc1cc(CF)on1;MDOPMFSGXMVYGE-UHFFFAOYSA-N;143.12;1.16;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNa_SP1";;;;;;;0.04;;-2.54;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM412673;MM412673;CNC(=NO)OCOC=O;BLHRXZLWPUXKRO-UHFFFAOYSA-N;148.12;-0.9;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_P1";;;;;;;-1.06;;-3.82;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM412674;MM412674;Cc1c(C#N)noc1C#N;BXYCAXQPSWDDIY-UHFFFAOYSA-N;133.11;0.73;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNa_SN0";;;;;;;1.17;;-1.18;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM412675;MM412675;N#CC12CC(C=O)OC1C2;FCZIGGZFTVYPJF-UHFFFAOYSA-N;137.14;0.26;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP1_SP1";;;;;;;-0.79;;-3.13;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM412676;MM412676;C=C1OC(CN)=CCC1F;KNGLLWOTIRTNHA-UHFFFAOYSA-N;143.16;1.1;;;;;DOPC;MDCG;27;1;"MARTINI bead: SNda_SC5";;;;;;;1.64;;-1.31;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM412677;MM412677;C=CN(CC)C(=N)C=CN;LTRYIENWSAMGLM-UHFFFAOYSA-N;139.2;0.9;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_P1";;;;;;;0.04;;-6.64;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM412678;MM412678;O=CC#CCON=CCF;FHMDZEMIRAPPHA-UHFFFAOYSA-N;143.12;0.16;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_C5";;;;;;;0.81;;-0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM412679;MM412679;C=CN(C=O)NCC(C)=O;XEAYNRGHANXINX-UHFFFAOYSA-N;142.16;-0.32;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_P2";;;;;;;-1.06;;-3.82;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM412680;MM412680;C=CC1CC2CC2(C=C)N1;SXCFAMVUSWDORH-UHFFFAOYSA-N;135.21;1.48;;;;;DOPC;MDCG;27;1;"MARTINI bead: SN0_SNd";;;;;;;1.17;;-3.43;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM412681;MM412681;CC(C)OCCOC=NN;GUQIAISKALPMGV-UHFFFAOYSA-N;146.19;0.33;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_Nda";;;;;;;0.87;;-1.99;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM412682;MM412682;CCC1=CCN(C)C(=N)C1;FGLQNMBXEQVDQC-UHFFFAOYSA-N;138.21;1.64;;;;;DOPC;MDCG;27;1;"MARTINI bead: SN0_SNd";;;;;;;1.17;;-5.36;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM412683;MM412683;CCC1(C#N)CC(C=O)N1;POYXJIFNWYHPDR-UHFFFAOYSA-N;138.17;0.22;;;;;DOPC;MDCG;27;0;"MARTINI bead: SN0_SP2";;;;;;;0.06;;-2.21;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM412684;MM412684;C=CC12CC1CC(C=O)N2;RNBWRNIMTLFJGB-UHFFFAOYSA-N;137.18;0.49;;;;;DOPC;MDCG;27;1;"MARTINI bead: SNd_SP1";;;;;;;0.04;;-3.75;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM412685;MM412685;C=CN(CC)C(=O)C=CF;VNPGGKYOVUEYLM-UHFFFAOYSA-N;143.16;1.46;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda_C5";;;;;;;1.64;;0.05;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM412686;MM412686;C#CC#CCON=CCF;OYGQSOMFKGYESW-UHFFFAOYSA-N;139.13;0.59;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_C4";;;;;;;1.37;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM412687;MM412687;CN1CC=C(CN)CC1=N;KDFFAVGFXRNXJK-UHFFFAOYSA-N;139.2;0.18;;;;;DOPC;MDCG;27;1;"MARTINI bead: SNd_SP2";;;;;;;-0.24;;-7.35;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM412688;MM412688;C=C(F)COCOC=NN;BUPIMGGHYKRWDB-UHFFFAOYSA-N;148.14;0.36;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_Na";;;;;;;0.04;;-2.54;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM412689;MM412689;C#CC(=O)CNC=NOC;VCZWWPSGCXBMDX-UHFFFAOYSA-N;140.14;-0.63;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_Na";;;;;;;-0.24;;-3.24;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM412690;MM412690;CNN=C(C)OCOC=O;JTHZXWYDWBYZDF-UHFFFAOYSA-N;146.15;-0.31;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nd_P2";;;;;;;-0.24;;-3.16;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM412691;MM412691;CCON=CCF;QJLQLYKSECOLDH-UHFFFAOYSA-N;105.11;0.98;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_C5";;;;;;;0.81;;-0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM412692;MM412692;CN1CC=C(CO)CC1=N;QIYFIEIXBXGKIB-UHFFFAOYSA-N;140.19;0.22;;;;;DOPC;MDCG;27;1;"MARTINI bead: SNd_SP1";;;;;;;0.04;;-6.87;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM412693;MM412693;C=CC12CC1CC(C#N)N2;CDHQAUDEKQBCKY-UHFFFAOYSA-N;134.18;0.82;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNd_SP1";;;;;;;0.04;;-2.63;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM412694;MM412694;C=C(C)OCCOC=NN;HJAWGYZINDQNTM-UHFFFAOYSA-N;144.17;0.46;;;;;DOPC;MDCG;27;0;"MARTINI bead: C3_P3";;;;;;;0.6;;-0.8;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM412695;MM412695;CC=NN=C(NC)OC=O;LBPQWPCMOOYGMV-UHFFFAOYSA-N;143.15;-0.26;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_C5";;;;;;;0.54;;-1.09;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM412696;MM412696;C=C(C=NO)N(C=N)CC;KTVCLQHJKNFSQT-UHFFFAOYSA-N;141.17;0.89;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_P1";;;;;;;0.04;;-4.74;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM412697;MM412697;C=Cc1onc(C#N)c1N;PXSFZDUKQYIEHQ-UHFFFAOYSA-N;135.13;0.77;;;;;DOPC;MDCG;27;0;"MARTINI bead: SN0_SNda";;;;;;;1.17;;-1.13;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM412698;MM412698;CN1CC=C(CF)CC1=N;NIKAAQMNBPKZLR-UHFFFAOYSA-N;142.18;1.2;;;;;DOPC;MDCG;27;1;"MARTINI bead: SNd_SNa";;;;;;;0.87;;-6.14;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM412699;MM412699;C=CC1CC2CC2(C=O)N1;MMSWWOLZACVUFD-UHFFFAOYSA-N;137.18;0.49;;;;;DOPC;MDCG;27;1;"MARTINI bead: SN0_SP1";;;;;;;0.34;;-2.66;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM412700;MM412700;COc1cc(NC=N)no1;HWXQTCLRXUYOML-UHFFFAOYSA-N;141.13;0.7;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNa_SP1";;;;;;;0.04;;-2.54;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM412701;MM412701;CN=c1nc(N)c(=O)c1=O;YGOQATVUOAUDBB-UHFFFAOYSA-N;139.11;-2.21;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP1_SP1";;;;;;;-0.79;;-3.13;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM412702;MM412702;CCN(C=N)C(=O)C=NO;MTSHHEKCZMAYJW-UHFFFAOYSA-N;143.15;-0.1;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_P1";;;;;;;-1.06;;-3.82;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM412703;MM412703;N#Cc1noc(C=O)c1N;CCERSTUJJDSSEP-UHFFFAOYSA-N;137.1;-0.06;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNa_SNda";;;;;;;0.87;;-1.99;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM412705;MM412705;C=CC1CC2CC2(C#N)N1;UZQSGBLBGGSIKZ-UHFFFAOYSA-N;134.18;0.82;;;;;DOPC;MDCG;27;0;"MARTINI bead: SN0_SP1";;;;;;;0.34;;-1.53;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM412704;MM412704;CCC1=CCN(N)C(=N)C1;UEMDYDLMTNDFOW-UHFFFAOYSA-N;139.2;0.88;;;;;DOPC;MDCG;27;1;"MARTINI bead: SN0_SP1";;;;;;;0.34;;-3.97;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM412706;MM412706;CNN=c1occ(NC)o1;ZRRMXBCYHVEMKM-UHFFFAOYSA-N;143.15;-0.05;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_SP2";;;;;;;-1.34;;-4.31;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM412707;MM412707;C=CC=C1C=C(CC)CO1;FKWGHFAGMOGNKW-UHFFFAOYSA-N;136.19;2.42;;;;;DOPC;MDCG;27;0;"MARTINI bead: SN0_SC5";;;;;;;1.94;;0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM412708;MM412708;C=NN(CC)C(=N)C=CF;DEOMCQOGACEIPS-UHFFFAOYSA-N;143.17;1.38;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_C5";;;;;;;0.81;;-0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM412709;MM412709;N#Cc1onc(C=O)c1N;HZGWRBOACVVSJQ-UHFFFAOYSA-N;137.1;-0.06;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNa_SP1";;;;;;;0.04;;-2.54;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM412710;MM412710;N#CC1CC2CC2(C=O)N1;DKHCXSOWIYPWGE-UHFFFAOYSA-N;136.15;-0.17;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP2_SP1";;;;;;;-1.06;;-3.82;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM412711;MM412711;C=CN=CN=CNCC#N;GHECSWKDYXEZQQ-UHFFFAOYSA-N;136.16;0.3;;;;;DOPC;MDCG;27;0;"MARTINI bead: N0_P2";;;;;;;0.06;;-2.21;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM412712;MM412712;N=C1CC(CO)=CCN1N;RSDPPAHYOUHGDG-UHFFFAOYSA-N;141.17;-0.54;;;;;DOPC;MDCG;27;1;"MARTINI bead: SP1_SP1";;;;;;;-0.79;;-5.53;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM412713;MM412713;C=CC=C1C=C(CN)CO1;DBRXCAZVWQQGIM-UHFFFAOYSA-N;137.18;0.97;;;;;DOPC;MDCG;27;1;"MARTINI bead: SP1_SC5";;;;;;;0.81;;-2.65;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM412714;MM412714;N#Cc1noc(C#N)c1N;SYKBOENGEPPZBE-UHFFFAOYSA-N;134.1;;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNa_SP1";;;;;;;0.04;;-2.54;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM412715;MM412715;C=NN(CC)C(=O)C=CC;JBZKMMWTOQHFIU-UHFFFAOYSA-N;140.19;1.03;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_C4";;;;;;;1.37;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM412716;MM412716;CN(N)C(=O)N(N)C=NN;ZIXZYGZKJTXNNZ-UHFFFAOYSA-N;146.15;-2.01;;;;;DOPC;MDCG;27;0;"MARTINI bead: P4_P1";;;;;;;-2.01;;-5.13;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM412717;MM412717;N=C1CC(CF)=CCN1N;FMCZOEYTGPYITM-UHFFFAOYSA-N;143.17;0.44;;;;;DOPC;MDCG;27;1;"MARTINI bead: SP1_SNa";;;;;;;0.04;;-4.92;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM412718;MM412718;C=COCOC(=NO)NO;FYIZWKBRUXKHFN-UHFFFAOYSA-N;148.12;-0.16;;;;;DOPC;MDCG;27;0;"MARTINI bead: P3_Na";;;;;;;-1.1;;-4.2;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM412719;MM412719;C=CC=C1C=C(CO)CO1;VYYPMRBRBRWSJI-UHFFFAOYSA-N;138.17;1.01;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP1_SC5";;;;;;;0.81;;-0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM412720;MM412720;C=Cc1noc(C=C)c1F;FGQCXFDVLFIRLX-UHFFFAOYSA-N;139.13;2.1;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNa_SN0";;;;;;;1.17;;-1.18;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM412721;MM412721;C=NN(CC)C(=O)C=CF;JWXJPKZQYBPZNS-UHFFFAOYSA-N;144.15;0.93;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_C5";;;;;;;0.81;;-0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM412722;MM412722;N#CC1CC2CC2(C#N)N1;XOYSHACEECERRP-UHFFFAOYSA-N;133.15;0.15;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP1_SP1";;;;;;;-0.79;;-3.13;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM412723;MM412723;N=C1CC(CN)=CCN1O;WHAFOSFEFVZDHR-UHFFFAOYSA-N;141.17;-0.06;;;;;DOPC;MDCG;27;1;"MARTINI bead: SP2_SP1";;;;;;;-1.06;;-5.54;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM412724;MM412724;C=CC=C1C=C(CF)CO1;YKPHLNBZGISSHY-UHFFFAOYSA-N;140.16;1.98;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNa_SC5";;;;;;;1.64;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM412725;MM412725;O=COCOC(=NO)NO;RYLBNFFIRDNVCY-UHFFFAOYSA-N;150.09;-1.14;;;;;DOPC;MDCG;27;0;"MARTINI bead: P3_P1";;;;;;;-1.93;;-4.72;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM412726;MM412726;C=Cc1noc(C#N)c1F;XRFNDRLXFJBPGF-UHFFFAOYSA-N;138.1;1.33;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNa_SNa";;;;;;;0.87;;-2.22;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM412727;MM412727;C=NN(CC)C(=O)C=NO;QXIHUZCLKSLBND-UHFFFAOYSA-N;143.15;-0.09;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_P1";;;;;;;-0.79;;-3.13;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM412728;MM412728;C=CC1CC2CC2(C=C)O1;KXMJFDDCEATOKK-UHFFFAOYSA-N;136.19;1.91;;;;;DOPC;MDCG;27;0;"MARTINI bead: SN0_SNa";;;;;;;1.17;;-1.18;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM412729;MM412729;C=Cc1onc(C#N)c1F;WEUVCZPORFANCH-UHFFFAOYSA-N;138.1;1.33;;;;;DOPC;MDCG;27;0;"MARTINI bead: SN0_SNa";;;;;;;1.17;;-1.18;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM412730;MM412730;CCC1=CCN(C)C(=O)C1;WUNAJZKZNQIOKD-UHFFFAOYSA-N;139.2;1.18;;;;;DOPC;MDCG;27;0;"MARTINI bead: SN0_SNda";;;;;;;1.17;;-1.13;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM412731;MM412731;C=CC=C1C=C(OC)CO1;HOABCOBKELLRCR-UHFFFAOYSA-N;138.17;1.62;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNa_SC5";;;;;;;1.64;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM412732;MM412732;C=NOCOC(=NC)NC;IUWYTOVWGWRLGZ-UHFFFAOYSA-N;145.16;-0.2;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nda_P1";;;;;;;0.04;;-3.89;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM412733;MM412733;C=C(C=CC)N(C=N)NC;COSXIOJWSHNULO-UHFFFAOYSA-N;139.2;1.12;;;;;DOPC;MDCG;27;1;"MARTINI bead: P3_C4";;;;;;;0.23;;-3.27;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM412734;MM412734;C=CC12CC1CC(C=O)O2;XQVJSGBJAOKGAY-UHFFFAOYSA-N;138.17;0.92;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNa_SP1";;;;;;;0.04;;-2.54;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM412736;MM412736;CN1CC=C(CN)CC1=O;XYXUCVUCQSQNJA-UHFFFAOYSA-N;140.19;-0.27;;;;;DOPC;MDCG;27;1;"MARTINI bead: SNda_SP2";;;;;;;-0.24;;-5.33;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM412735;MM412735;N#Cc1noc(C#N)c1F;RBCWRRJNKYBCBN-UHFFFAOYSA-N;137.07;0.56;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNa_SNa";;;;;;;0.87;;-2.22;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM412737;MM412737;c1coc(=NNC2CC2)o1;RVYFRPBLPCXHAD-UHFFFAOYSA-N;140.14;0.44;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP1_SP2";;;;;;;-1.06;;-3.82;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM412738;MM412738;CNC1=NC(=NC=N)CN1;JKVGMSAKJMXNHS-UHFFFAOYSA-N;139.16;-0.83;;;;;DOPC;MDCG;27;1;"MARTINI bead: SP1_SP2";;;;;;;-1.06;;-5.91;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM412739;MM412739;C=C(C=CF)N(C=O)NC;GHVFWBTWIJXPDJ-UHFFFAOYSA-N;144.15;0.58;;;;;DOPC;MDCG;27;0;"MARTINI bead: P4_C4";;;;;;;0.15;;-2.18;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM412740;MM412740;C=CC12CC1CC(C#N)O2;NCOAMTSWAHDAFZ-UHFFFAOYSA-N;135.17;1.24;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNa_SP1";;;;;;;0.04;;-2.54;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM412741;MM412741;N=CN=C1CNC(NN)=N1;PDSFUKZUSAULGK-UHFFFAOYSA-N;140.15;-1.59;;;;;DOPC;MDCG;27;1;"MARTINI bead: SP2_SP2";;;;;;;-1.34;;-5.67;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM412742;MM412742;C#CC1=C(C)C(C=C)=CC1;QQOLPYJGMCKHDJ-UHFFFAOYSA-N;130.19;2.45;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC5_SC4";;;;;;;2.97;;0.45;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM412743;MM412743;CN1CC=C(CO)CC1=O;RKBKVUZRQAKZKD-UHFFFAOYSA-N;141.17;-0.23;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNda_SP1";;;;;;;0.04;;-2.73;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM412744;MM412744;C#CCCCC(=CC)CC;GKESABNPQYIJBT-UHFFFAOYSA-N;136.24;3.15;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1_C5";;;;;;;3.68;;0.46;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM412745;MM412745;C=CN(NC)C(=N)C=CC;DIIVWKXYKRVSFL-UHFFFAOYSA-N;139.2;1.12;;;;;DOPC;MDCG;27;1;"MARTINI bead: P3_C4";;;;;;;0.23;;-4.15;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM412746;MM412746;C=CC1CC2CC2(C=O)O1;VPTXAULVEWRGOK-UHFFFAOYSA-N;138.17;0.92;;;;;DOPC;MDCG;27;0;"MARTINI bead: SN0_SNa";;;;;;;1.17;;-1.18;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM412747;MM412747;CN1CC=C(CF)CC1=O;CTNOLCWTHWFNLE-UHFFFAOYSA-N;143.16;0.74;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNda_SNa";;;;;;;0.87;;-1.99;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM412748;MM412748;C=NN=C1CNC(NC)=N1;GGSJUZLTHPYXSM-UHFFFAOYSA-N;139.16;-0.82;;;;;DOPC;MDCG;27;1;"MARTINI bead: SP1_SP1";;;;;;;-0.79;;-4.75;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM412749;MM412749;C#CC1=C(C)C(C=O)=CC1;NLCQSOCCPNBRHJ-UHFFFAOYSA-N;132.16;1.47;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC5_SNa";;;;;;;1.64;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM412750;MM412750;C#CCCCC(=CF)CC;ODLUOBBBKYSOEQ-UHFFFAOYSA-N;140.2;3.05;;;;;DOPC;MDCG;27;0;"MARTINI bead: C2_C5";;;;;;;3.6;;0.34;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM412751;MM412751;CNN(C=O)C(=N)C=CN;ZMUYWDPTMZNVEF-UHFFFAOYSA-N;142.16;-0.97;;;;;DOPC;MDCG;27;0;"MARTINI bead: P5_P1";;;;;;;-1.94;;-5.95;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM412752;MM412752;C=CC1CC2CC2(C#N)O1;AYWHHUKWUNAHAO-UHFFFAOYSA-N;135.17;1.24;;;;;DOPC;MDCG;27;0;"MARTINI bead: SN0_SNa";;;;;;;1.17;;-1.18;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM412753;MM412753;CCC1=CCN(N)C(=O)C1;OFGGTWSDGUBBDN-UHFFFAOYSA-N;140.19;0.43;;;;;DOPC;MDCG;27;0;"MARTINI bead: SN0_SP1";;;;;;;0.34;;-1.53;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM412754;MM412754;C#CCCCC(=CF)CN;KPQCBNXZHNIXLR-UHFFFAOYSA-N;141.19;1.6;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1_C5";;;;;;;0.81;;-2.65;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM412755;MM412755;CC(C)OC=COC=NN;MXIYUDSSOHWDSE-UHFFFAOYSA-N;144.17;0.8;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_Nda";;;;;;;0.87;;-1.99;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM412756;MM412756;C#CC1=C(C)C(C#N)=CC1;NMKSRIWHVJNPNL-UHFFFAOYSA-N;129.16;1.79;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC5_SN0";;;;;;;1.94;;0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM412757;MM412757;C=CN(NC)C(=O)C=CC;REUQFCSSCZCCLC-UHFFFAOYSA-N;140.19;0.67;;;;;DOPC;MDCG;27;0;"MARTINI bead: P3_C4";;;;;;;0.23;;-1.03;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM412758;MM412758;CCCC#CC(=NN)OC;CCFKHSWNBZWODI-UHFFFAOYSA-N;140.19;0.71;;;;;DOPC;MDCG;27;0;"MARTINI bead: C3_P1";;;;;;;1.74;;0.29;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM412759;MM412759;N#CC1CC2CC2(C=O)O1;HLCWEYDHYJLDES-UHFFFAOYSA-N;137.14;0.26;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP2_SP1";;;;;;;-1.06;;-3.82;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM412760;MM412760;NN=c1o[nH]n(O)c1=O;RQIQTZFTPJUNGP-UHFFFAOYSA-N;132.08;-2.22;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP2_SP2";;;;;;;-1.34;;-9.31;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM412761;MM412761;CC1CCCC1O;BVIJQMCYYASIFP-UHFFFAOYSA-N;100.16;1.17;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC3_SNda";;;;;;;2.57;;0.44;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM412762;MM412762;C=CN(NC)C(=O)C=CF;PPXUTNGUHGKAEF-UHFFFAOYSA-N;144.15;0.58;;;;;DOPC;MDCG;27;0;"MARTINI bead: P3_C5";;;;;;;-0.33;;-2.01;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM412763;MM412763;C#Cc1[nH]cc(C=C)c1C;PYWDGZGPMWCYRT-UHFFFAOYSA-N;131.18;1.95;;;;;DOPC;MDCG;27;0;"MARTINI bead: SN0_SNd";;;;;;;1.17;;-1.04;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM412764;MM412764;N#CC1CC2CC2(C#N)O1;VTMHQHVEGNKAGU-UHFFFAOYSA-N;134.14;0.58;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP1_SNa";;;;;;;0.04;;-2.54;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM412765;MM412765;NN1CC=C(CF)CC1=O;ZPCHBGXCIDDGEI-UHFFFAOYSA-N;144.15;-0.01;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP1_SNa";;;;;;;0.04;;-2.54;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM412766;MM412766;CC=CC(=O)N(C=N)NC;GJZVAAQBZAFNQA-UHFFFAOYSA-N;141.17;0.13;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_Nda";;;;;;;-0.24;;-3.31;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM412767;MM412767;C#Cc1[nH]cc(C#N)c1C;XZZOTTZSLZFFOA-UHFFFAOYSA-N;130.15;1.18;;;;;DOPC;MDCG;27;0;"MARTINI bead: SN0_SNd";;;;;;;1.17;;-1.04;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM412768;MM412768;O=CC=C1N=C(NO)NN1;PGMJNYJBIXRKDK-UHFFFAOYSA-N;142.12;-1.53;;;;;DOPC;MDCG;27;1;"MARTINI bead: SP3_SP2";;;;;;;-2.2;;-6.38;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM412769;MM412769;C#CCCCC(=CF)CO;PJWBGLHCSBEIMJ-UHFFFAOYSA-N;142.17;1.64;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda_C5";;;;;;;1.64;;0.05;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM412770;MM412770;COC1=CCN(C)C(=N)C1;UEIFFHMTKBGDJP-UHFFFAOYSA-N;140.19;0.83;;;;;DOPC;MDCG;27;1;"MARTINI bead: SNa_SNd";;;;;;;0.87;;-5.57;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM412771;MM412771;C=CC1OC2CC2(C=C)O1;WGRJDXNEQDWJOB-UHFFFAOYSA-N;138.17;1.24;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNa_SNa";;;;;;;0.87;;-2.22;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM412772;MM412772;C=NOCOC(C)=NNC;DCDMEGPEGBCIBN-UHFFFAOYSA-N;145.16;0.15;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda_P1";;;;;;;0.04;;-2.73;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM412773;MM412773;C=C1NC(=N)OC1=O;NQMADPSAKBDGJE-UHFFFAOYSA-N;112.09;-0.42;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP2_SP1";;;;;;;-1.06;;-3.82;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM412774;MM412774;C=C(C)CC=COC=NN;ZZCFKMRQWZOTNW-UHFFFAOYSA-N;140.19;1.38;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4_Nda";;;;;;;2.2;;0.49;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM412775;MM412775;COC1=CCN(N)C(=N)C1;YZOKESFWEQZIBX-UHFFFAOYSA-N;141.17;0.07;;;;;DOPC;MDCG;27;1;"MARTINI bead: SNa_SP1";;;;;;;0.04;;-4.32;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM412776;MM412776;C#CCCCC(=CC)CF;GGOYVPSJHONDQO-UHFFFAOYSA-N;140.2;2.71;;;;;DOPC;MDCG;27;0;"MARTINI bead: C3_C5";;;;;;;3.34;;0.48;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM412777;MM412777;C=CC12CC1OC(C#N)O2;YSWURSOSWTXCNA-UHFFFAOYSA-N;137.14;0.58;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNa_SP1";;;;;;;0.04;;-2.54;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM412778;MM412778;CC=CC(=O)N(C=O)NC;GSXCJYWRHJDYKL-UHFFFAOYSA-N;142.16;-0.32;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda_P2";;;;;;;-0.24;;-3.31;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM412779;MM412779;C#Cc1[nH]cc(C#N)c1N;IISGAOLAZLNEJT-UHFFFAOYSA-N;131.14;0.45;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNd_SNd";;;;;;;0.87;;-2.11;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM412780;MM412780;C=C(C)OC=COC=NN;IWQRMHCTVGYIFQ-UHFFFAOYSA-N;142.16;0.93;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_Nda";;;;;;;0.87;;-1.99;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM412781;MM412781;COC1=CCN(C)C(=O)C1;HWXGTHHQOKZEJP-UHFFFAOYSA-N;141.17;0.38;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNa_SNda";;;;;;;0.87;;-1.99;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM412782;MM412782;C#CCCCC(CC)=NN;DQKUMZBZWXPDGP-UHFFFAOYSA-N;138.21;1.51;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_C5";;;;;;;2.41;;0.64;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM412783;MM412783;C=CC1OC2CC2(C#N)O1;PIOVNVOOWJHVBJ-UHFFFAOYSA-N;137.14;0.58;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNa_SP1";;;;;;;0.04;;-2.54;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM412784;MM412784;C#Cc1[nH]cc(C=C)c1F;ZCTCHUQWPZBZAQ-UHFFFAOYSA-N;135.14;1.78;;;;;DOPC;MDCG;27;0;"MARTINI bead: SN0_SNda";;;;;;;1.17;;-1.13;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM412785;MM412785;CNN(C=O)C(=O)C=CN;WUCGJSBLEDMUKP-UHFFFAOYSA-N;143.15;-1.42;;;;;DOPC;MDCG;27;0;"MARTINI bead: P3_P1";;;;;;;-1.93;;-4.72;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM412786;MM412786;C=CCC#CC(=NN)OC;HIQJCDOKWYBDQK-UHFFFAOYSA-N;138.17;0.48;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_C5";;;;;;;0.81;;-0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM412787;MM412787;C#CC=C1C=C(CC)CC1;LLQKCPOEWOFCTQ-UHFFFAOYSA-N;132.21;2.68;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC2_SC4";;;;;;;4.16;;0.44;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM412788;MM412788;C#CCCCC(CC)=NO;KIOFLHZSBKNURP-UHFFFAOYSA-N;139.2;2.03;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda_C5";;;;;;;1.64;;0.05;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM412789;MM412789;N#CC1OC2CC2(C#N)O1;VKAHJNNZMRAPSU-UHFFFAOYSA-N;136.11;-0.08;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP1_SP1";;;;;;;-0.79;;-3.13;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM412790;MM412790;C=CC=COC(C)=NNC;VVOWIMIQULKGFN-UHFFFAOYSA-N;140.19;1.26;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_C4";;;;;;;1.09;;-0.38;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM412791;MM412791;C#Cc1[nH]cc(C#N)c1F;RUSMDAOTDMWZDJ-UHFFFAOYSA-N;134.11;1.01;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNa_SNd";;;;;;;0.87;;-1.88;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM412792;MM412792;CCC1=CCN(C)C(=N)N1;ZEOQNXCCZQDEET-UHFFFAOYSA-N;139.2;0.75;;;;;DOPC;MDCG;27;1;"MARTINI bead: SNd_SP1";;;;;;;0.04;;-7.34;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM412793;MM412793;C#CC=C1C=C(CN)CC1;ZPQSCHISYYUOBO-UHFFFAOYSA-N;133.19;1.22;;;;;DOPC;MDCG;27;1;"MARTINI bead: SNd_SC4";;;;;;;2.2;;-1.66;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM412794;MM412794;CCC(O)C1CC1;ZVTCOQDWIJYYSQ-UHFFFAOYSA-N;100.16;1.17;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_SNda";;;;;;;1.64;;0.05;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM412795;MM412795;C=CC12CC1CN(C=N)C2;HFYPRRLIVJOKOZ-UHFFFAOYSA-N;136.2;1.1;;;;;DOPC;MDCG;27;1;"MARTINI bead: SC4_SP1";;;;;;;1.37;;-3.89;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM412796;MM412796;C#Cc1occ(C=O)c1C;JQRXQZFOWIZUHZ-UHFFFAOYSA-N;134.13;1.38;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNa_SN0";;;;;;;1.17;;-1.18;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM412797;MM412797;CNN(C=O)C(=N)C=NO;SUZWDUZAPGDTPD-UHFFFAOYSA-N;144.13;-0.98;;;;;DOPC;MDCG;27;0;"MARTINI bead: P5_P1";;;;;;;-1.94;;-5.95;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM412798;MM412798;CCC1=CCN(O)C(=N)N1;WIDVDJFGIJCWJQ-UHFFFAOYSA-N;141.17;0.51;;;;;DOPC;MDCG;27;1;"MARTINI bead: SNd_SP2";;;;;;;-0.24;;-5.59;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM412799;MM412799;C#CCCCC(=NC)NC;GKJYOPMCSPKFHW-UHFFFAOYSA-N;138.21;1.04;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_C5";;;;;;;1.64;;-4.68;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM412800;MM412800;CN(C)N=CCOC=NN;UIHUBZPEHSCZBJ-UHFFFAOYSA-N;144.18;-0.55;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_Nda";;;;;;;-0.24;;-3.31;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM412801;MM412801;C#Cc1occ(C=C)c1N;PDKHEBBTDUMMAH-UHFFFAOYSA-N;133.15;1.49;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC5_SNd";;;;;;;1.64;;0.02;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM412802;MM412802;C=CC12CC1CN(C=O)C2;CXQHHJWQFZUPLB-UHFFFAOYSA-N;137.18;0.65;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC4_SP1";;;;;;;1.37;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM412803;MM412803;C#CC=COC(C)=NNC;IKTVMLJAJDWNKT-UHFFFAOYSA-N;138.17;0.7;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nd_Na";;;;;;;0.87;;-1.88;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM412804;MM412804;C#CC=C1C=C(CF)CC1;LRDCRDPGWDNIFV-UHFFFAOYSA-N;136.17;2.24;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC5_SC4";;;;;;;2.97;;0.45;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM412805;MM412805;N=C1NC(CN)=CCN1O;GQNOJAYCEXTWOA-UHFFFAOYSA-N;142.16;-0.94;;;;;DOPC;MDCG;27;1;"MARTINI bead: SP3_SP2";;;;;;;-2.2;;-7.46;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM412806;MM412806;C#CCCCC(=NC)NN;WMHYXMRLVQSNQV-UHFFFAOYSA-N;139.2;0.28;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_C5";;;;;;;1.64;;-3;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM412807;MM412807;C#Cc1occ(C=O)c1N;APNCRFMPFXFULH-UHFFFAOYSA-N;135.12;0.66;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNa_SNd";;;;;;;0.87;;-1.88;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM412808;MM412808;N=CN1CC2CC2(C=O)C1;LKURHDAMZRUKTG-UHFFFAOYSA-N;138.17;0.11;;;;;DOPC;MDCG;27;1;"MARTINI bead: SP1_SP2";;;;;;;-1.06;;-7.65;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM412809;MM412809;CNN(C=O)C(=O)C=NO;KSWQGSGWGWXGFO-UHFFFAOYSA-N;145.12;-1.43;;;;;DOPC;MDCG;27;0;"MARTINI bead: P3_P1";;;;;;;-1.93;;-4.72;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM412810;MM412810;C#CCCCC(=NO)NO;UMZZNWZNVLJNHU-UHFFFAOYSA-N;142.16;0.56;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_C5";;;;;;;0.54;;-1.09;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM412811;MM412811;C#CC=C1C=C(OC)CC1;NXNGTTACCRDVHW-UHFFFAOYSA-N;134.18;1.87;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC5_SC4";;;;;;;2.97;;0.45;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM412812;MM412812;C#Cc1occ(C#N)c1N;VAFKIMFXFUALLF-UHFFFAOYSA-N;132.12;0.71;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNd_SN0";;;;;;;1.17;;-1.04;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM412813;MM412813;N=C1NC(CO)=CCN1O;SDDBRMXHPPMEMW-UHFFFAOYSA-N;143.15;-0.91;;;;;DOPC;MDCG;27;1;"MARTINI bead: SP2_SP2";;;;;;;-1.34;;-6.12;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM412814;MM412814;N#CC12CC1CN(C=N)C2;IKJLBHWBYRVOQE-UHFFFAOYSA-N;135.17;0.44;;;;;DOPC;MDCG;27;1;"MARTINI bead: SP1_SP1";;;;;;;-0.79;;-6.87;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM412815;MM412815;C=CN(OC)C(=O)C=CF;SKPKTVJSTZTGFG-UHFFFAOYSA-N;145.13;1;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_C5";;;;;;;0.81;;-0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM412816;MM412816;C=CCC(O)CC=C;UTGFOWQYZKTZTN-UHFFFAOYSA-N;112.17;1.5;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda_C4";;;;;;;2.2;;0.49;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM412817;MM412817;C#CC=C1C=C(CC)OC1;VISUVODPCDZDBU-UHFFFAOYSA-N;134.18;1.87;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC5_SN0";;;;;;;1.94;;0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM412818;MM412818;C#Cc1occ(C=C)c1F;XBTZYWHZTWIGEJ-UHFFFAOYSA-N;136.13;2.04;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC5_SC5";;;;;;;2.41;;0.64;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM412819;MM412819;COC1=CCN(O)C(=N)N1;YLEQDBFQYNJNKS-UHFFFAOYSA-N;143.15;-0.3;;;;;DOPC;MDCG;27;1;"MARTINI bead: SP2_SP2";;;;;;;-1.34;;-6.69;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM412820;MM412820;O=CN1CC2CC2(C=O)C1;PRCHJBPVADXLRV-UHFFFAOYSA-N;139.15;-0.34;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP1_SP2";;;;;;;-1.06;;-3.82;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM412821;MM412821;CON(C=O)C(=O)C=CN;NDOLPSNCAVNVJR-UHFFFAOYSA-N;144.13;-0.99;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_P1";;;;;;;-1.06;;-3.82;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM412822;MM412822;C#CC=C1C=C(CN)OC1;RTXIEVLWZNNWEP-UHFFFAOYSA-N;135.17;0.42;;;;;DOPC;MDCG;27;1;"MARTINI bead: SP2_SN0";;;;;;;0.06;;-3.64;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM412823;MM412823;C#CCNCC(=CC)CC;PQKLEDYBMDTZGF-UHFFFAOYSA-N;137.23;1.57;;;;;DOPC;MDCG;27;1;"MARTINI bead: C1_P2";;;;;;;1.8;;-0.25;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM412824;MM412824;C#Cc1occ(C#N)c1F;VWXWTRPURBWZMK-UHFFFAOYSA-N;135.1;1.27;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNa_SN0";;;;;;;1.17;;-1.18;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM412825;MM412825;C=CC1=CCC(C)C(=C)C1;JRGWAANPMVDNIY-UHFFFAOYSA-N;134.22;3.08;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC2_SC1";;;;;;;4.87;;0.53;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM412826;MM412826;N#CC12CC1CN(C=O)C2;JCSFCLDJIJHDCB-UHFFFAOYSA-N;136.15;-0.01;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP1_SP1";;;;;;;-0.79;;-3.13;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM412827;MM412827;C=CN(OC)C(=O)C=NO;YPBVKFUTUFDMBS-UHFFFAOYSA-N;144.13;-0.02;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_P1";;;;;;;-0.79;;-3.13;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM412828;MM412828;C#CCNCC(=NC)NC;YQWQAJDNFGXGHS-UHFFFAOYSA-N;139.2;-0.54;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_P2";;;;;;;-0.24;;-6.56;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM412829;MM412829;C#CC=C1C=C(CO)OC1;YHBLNJCGAQBGKN-UHFFFAOYSA-N;136.15;0.45;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP1_SN0";;;;;;;0.34;;-1.53;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM412830;MM412830;CCCON=CCF;LCRCDJARRVRDBQ-UHFFFAOYSA-N;119.14;1.37;;;;;DOPC;MDCG;27;0;"MARTINI bead: C3_P1";;;;;;;1.74;;0.29;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM412831;MM412831;C=CC1=CCC(F)C(=C)C1;LQOBZGCDSGGJIW-UHFFFAOYSA-N;138.19;2.79;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC4_SC1";;;;;;;4.24;;0.42;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM412832;MM412832;C=CC12CC1CN(N=C)C2;YTAGNSYGOHCMOC-UHFFFAOYSA-N;136.2;1.11;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC4_SP1";;;;;;;1.37;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM412833;MM412833;CC(O)C(C)C(C)C=CF;BDNNOIUKNZLWGB-UHFFFAOYSA-N;146.21;2.12;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda_C3";;;;;;;2.57;;0.44;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM412834;MM412834;C#CCNCC(=NC)NN;YWTPBGQKZVRYQJ-UHFFFAOYSA-N;140.19;-1.3;;;;;DOPC;MDCG;27;1;"MARTINI bead: P3_N0";;;;;;;-0.8;;-4.69;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM412835;MM412835;C#CC=C1C=C(CF)OC1;LBEVVVOIZRJZKU-UHFFFAOYSA-N;138.14;1.43;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNa_SN0";;;;;;;1.17;;-1.18;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM412836;MM412836;N=c1c(F)c[nH]nnc1=O;DFUWDMZPULGZMV-UHFFFAOYSA-N;142.09;-1.22;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP2_SP2";;;;;;;-1.34;;-9.58;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM412837;MM412837;C=NN1CC2CC2(C=O)C1;XLHXTAOMXUKXBW-UHFFFAOYSA-N;138.17;0.12;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP1_SP2";;;;;;;-1.06;;-3.82;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM412838;MM412838;C#CC(CF)C(=C)C=NO;HZIBAWXGUFKOSK-UHFFFAOYSA-N;141.15;1.22;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda_Na";;;;;;;0.87;;-1.99;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM412839;MM412839;C=CC1=NCC(N)C(=C)N1;NAWVTHQENQBHKH-UHFFFAOYSA-N;137.19;0.02;;;;;DOPC;MDCG;27;1;"MARTINI bead: SP1_SNd";;;;;;;0.04;;-5.21;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM412840;MM412840;CC1(C#N)C=NNC1;LEJVBKORKWCQCX-UHFFFAOYSA-N;109.13;0.11;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP1_SP1";;;;;;;-0.79;;-3.13;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM412841;MM412841;C#CC=C1C=C(CC)CO1;FZXIKFQOQLHMHA-UHFFFAOYSA-N;134.18;1.87;;;;;DOPC;MDCG;27;0;"MARTINI bead: SN0_SN0";;;;;;;1.47;;-0.05;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM412842;MM412842;C#Cc1[nH]nc(C#N)c1C;IBQVVJIBEFCSQH-UHFFFAOYSA-N;131.14;0.57;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNda_SNd";;;;;;;0.87;;-1.92;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM412843;MM412843;C=CC1=NCC(O)C(=C)N1;UCOHGMQLJYHLGE-UHFFFAOYSA-N;138.17;0.05;;;;;DOPC;MDCG;27;1;"MARTINI bead: SP1_SNd";;;;;;;0.04;;-4.75;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM412844;MM412844;C=NN1CC2CC2(C#N)C1;VQPUFXCLHSUUMG-UHFFFAOYSA-N;135.17;0.45;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP1_SP1";;;;;;;-0.79;;-3.13;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM412845;MM412845;C#CC(NC)C(=C)C=CC;RVRQKRIOEGTUSE-UHFFFAOYSA-N;135.21;1.34;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1_C4";;;;;;;1.37;;-1.15;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM412846;MM412846;C#CC=C1C=C(CN)CO1;YMJNKNNWOFWMCG-UHFFFAOYSA-N;135.17;0.42;;;;;DOPC;MDCG;27;1;"MARTINI bead: SP1_SN0";;;;;;;0.34;;-3.7;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM412847;MM412847;CNC(C=O)CC#N;YDIRVHCWUYWFAF-UHFFFAOYSA-N;112.13;-0.31;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_P1";;;;;;;-1.06;;-3.82;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM412848;MM412848;C=CCON=CCF;BTAGLAOEHJRFQN-UHFFFAOYSA-N;117.12;1.14;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_C4";;;;;;;1.37;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM412849;MM412849;C#CC(=NN)OC1CC1C;VWQFKHWREWOCIY-UHFFFAOYSA-N;138.17;0.32;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC5_P2";;;;;;;0.54;;-1.09;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM412850;MM412850;C#CC(NC)C(=C)C=CF;HUJWWHAZNYRGEU-UHFFFAOYSA-N;139.17;1.25;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1_C5";;;;;;;0.81;;-1.69;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM412851;MM412851;C=CC12CC1NN(C=N)C2;SATUYLMLMDJDSO-UHFFFAOYSA-N;137.19;0.36;;;;;DOPC;MDCG;27;1;"MARTINI bead: SC4_SP3";;;;;;;0.23;;-3.28;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM412852;MM412852;C#CC=C1C=C(CO)CO1;GWLCAWANYYXWLE-UHFFFAOYSA-N;136.15;0.45;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP1_SN0";;;;;;;0.34;;-1.53;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM412853;MM412853;C#CCOCC(=CC)CC;NLIPHDJSYMANNJ-UHFFFAOYSA-N;138.21;1.99;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1_Na";;;;;;;2.91;;0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM412854;MM412854;O=c1cc(F)[nH]c(=NO)o1;CMEZDJFFSPXMRW-UHFFFAOYSA-N;146.08;-0.6;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP1_SP2";;;;;;;-1.06;;-9.04;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM412855;MM412855;C#CC(OC)C(=O)C=CN;UCYMMFJDRXDNSA-UHFFFAOYSA-N;139.15;-0.32;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_P2";;;;;;;-0.24;;-3.24;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM412856;MM412856;C=CC1=CCC(F)C(=C)O1;NYJWYKWEMHZMKN-UHFFFAOYSA-N;140.16;2.33;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC5_SC5";;;;;;;2.41;;0.64;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM412857;MM412857;C=CC12CC1NN(C=O)C2;UCIFPPQEECHYNV-UHFFFAOYSA-N;138.17;-0.09;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC4_SP2";;;;;;;1.09;;-0.38;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM412858;MM412858;C#CC=C1C=C(CF)CO1;YAEJUZHMIOKSPM-UHFFFAOYSA-N;138.14;1.43;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNa_SN0";;;;;;;1.17;;-1.18;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM412859;MM412859;C#CCOCC(=CF)CC;UNJDGHLUJXCZJM-UHFFFAOYSA-N;142.17;1.9;;;;;DOPC;MDCG;27;0;"MARTINI bead: C3_Na";;;;;;;2.57;;0.45;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM412860;MM412860;CC(=O)N=CN(N)C=O;XTTRBNCQFXJVLP-UHFFFAOYSA-N;129.12;-1.11;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_P4";;;;;;;-1.19;;-4.76;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM412861;MM412861;C#CC(OC)C(=O)C=CF;INCGVFDRXQABCE-UHFFFAOYSA-N;142.13;0.69;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_C5";;;;;;;0.81;;-0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM412862;MM412862;C=C1OC(C=O)=CCC1F;VCILAZXJMGNQNC-UHFFFAOYSA-N;142.13;1.34;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC5_SNa";;;;;;;1.64;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM412863;MM412863;C#CC=C1C=C(OC)CO1;NMICJNXPYJHKRJ-UHFFFAOYSA-N;136.15;1.06;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNa_SN0";;;;;;;1.17;;-1.18;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM412864;MM412864;N=CN1CC2(C=O)CC2N1;PTBIGLGXRDJWSG-UHFFFAOYSA-N;139.16;-0.63;;;;;DOPC;MDCG;27;1;"MARTINI bead: SP3_SP3";;;;;;;-3.07;;-8.33;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM412865;MM412865;C#CCOCC(=CC)CN;RWORQTKRRPXJIF-UHFFFAOYSA-N;139.2;0.54;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_Na";;;;;;;0.87;;-4.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM412866;MM412866;C#Cc1n[nH]c(C=C)c1F;LWVJNAJNPLNXTF-UHFFFAOYSA-N;136.13;1.17;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNd_SNda";;;;;;;0.87;;-1.92;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM412867;MM412867;C#CC(OC)C(=C)C=NN;ZEZFDWWKCBCJCQ-UHFFFAOYSA-N;138.17;0.14;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_Nd";;;;;;;0.87;;-1.88;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM412868;MM412868;C=CC1=CCN(C)C(=N)C1;GZDRUSLXQHBUHI-UHFFFAOYSA-N;136.2;1.41;;;;;DOPC;MDCG;27;1;"MARTINI bead: SNd_SN0";;;;;;;1.17;;-5.26;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM412869;MM412869;N#CC12CC1NN(C=N)C2;MVKBRZOXUBSDHA-UHFFFAOYSA-N;136.16;-0.3;;;;;DOPC;MDCG;27;1;"MARTINI bead: SP3_SP2";;;;;;;-2.2;;-7.22;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM412870;MM412870;C=CC1=CC(=CCC)CC1;CWABZWGUANZAGG-UHFFFAOYSA-N;134.22;3.23;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC2_SC3";;;;;;;4.53;;0.32;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM412871;MM412871;C#CCOCC(=CF)CN;IBQNKESURADKBN-UHFFFAOYSA-N;143.16;0.45;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1_Na";;;;;;;0.04;;-4.63;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM412872;MM412872;C#Cc1[nH]nc(C#N)c1F;XUJTUIGHUMYABB-UHFFFAOYSA-N;135.1;0.4;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNda_SNda";;;;;;;0.87;;-2.07;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM412873;MM412873;C=CC(C=C)C(=C)C=CF;JJSJQDLHGCAJIB-UHFFFAOYSA-N;138.19;3.01;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4_C2";;;;;;;4.16;;0.44;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM412874;MM412874;CN1CC=C(C=O)CC1=N;NSEZBOMTAXJSTD-UHFFFAOYSA-N;138.17;0.42;;;;;DOPC;MDCG;27;1;"MARTINI bead: SNd_SP1";;;;;;;0.04;;-6.76;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM412875;MM412875;O=CN1CC2(C=O)CC2N1;ADRZJSXUPGHSTQ-UHFFFAOYSA-N;140.14;-1.08;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP2_SP3";;;;;;;-2.2;;-5.19;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM412876;MM412876;C=CC1=CC(=CCN)CC1;BURPTJZFVICVPJ-UHFFFAOYSA-N;135.21;1.78;;;;;DOPC;MDCG;27;1;"MARTINI bead: SNd_SC3";;;;;;;2.57;;-0.96;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM412877;MM412877;C#CCOCC(=CC)CO;RHZZLIURSOMREM-UHFFFAOYSA-N;140.18;0.57;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda_Na";;;;;;;0.87;;-1.99;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM412878;MM412878;C#Cc1onc(C=O)c1C;XGMKIHZAIDACMM-UHFFFAOYSA-N;135.12;0.78;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNa_SN0";;;;;;;1.17;;-1.18;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM412879;MM412879;C=CC(C#N)C(=C)C=CF;KHQWORGRXVTDSF-UHFFFAOYSA-N;137.16;2.35;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4_N0";;;;;;;2.5;;0.44;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM412880;MM412880;CN1CC=C(C#N)CC1=N;YSXAUOAESQFKHB-UHFFFAOYSA-N;135.17;0.75;;;;;DOPC;MDCG;27;1;"MARTINI bead: SNd_SP1";;;;;;;0.04;;-6.6;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM412881;MM412881;C=CC1=CC(=CCO)CC1;IBSNJVUHEWMOQD-UHFFFAOYSA-N;136.19;1.81;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNda_SC3";;;;;;;2.57;;0.44;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM412882;MM412882;C#CCOCC(=CC)CF;SUDFRPHXRICCAW-UHFFFAOYSA-N;142.17;1.55;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4_Na";;;;;;;2.2;;0.34;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM412883;MM412883;N#CC12CC1NN(C=O)C2;IPXAULSCAZPYSL-UHFFFAOYSA-N;137.14;-0.75;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP2_SP2";;;;;;;-1.34;;-4.31;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM412884;MM412884;C#Cc1onc(C#N)c1C;DSTLWLWQLPJAPB-UHFFFAOYSA-N;132.12;0.84;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNa_SN0";;;;;;;1.17;;-1.18;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM412885;MM412885;C=CC(C=C)C(=O)C=CC;REPLRJUPWONKKN-UHFFFAOYSA-N;136.19;2.12;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_C2";;;;;;;2.83;;0.35;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM412886;MM412886;CCC=C1C=C(C=O)CC1;DHRGUXDQQXLGHL-UHFFFAOYSA-N;136.19;2.24;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC2_SNa";;;;;;;2.83;;0.35;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM412887;MM412887;C=CC1=CCN(N)C(=N)C1;WYZNAZFFJUQMIJ-UHFFFAOYSA-N;137.19;0.66;;;;;DOPC;MDCG;27;1;"MARTINI bead: SP1_SN0";;;;;;;0.34;;-3.87;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM412888;MM412888;C#CCOCC(CC)=NN;OEFLZJRYHHOVPU-UHFFFAOYSA-N;140.19;0.36;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nd_Na";;;;;;;0.87;;-1.88;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM412889;MM412889;O=CN1CC2(C=O)CC2O1;UYSHERVPTKVLQF-UHFFFAOYSA-N;141.13;-0.65;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP2_SP2";;;;;;;-1.34;;-4.31;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM412890;MM412890;CC(F)CON=CCF;HHNPZOPXHAGXCX-UHFFFAOYSA-N;137.13;1.32;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_P1";;;;;;;0.81;;-0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM412891;MM412891;C=CC(C=C)C(=O)C=CF;CUOKNXRTACJQLV-UHFFFAOYSA-N;140.16;2.03;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_C2";;;;;;;2.83;;0.35;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM412892;MM412892;C#CCOCC(CC)=NO;RLBSORHYNHNYCU-UHFFFAOYSA-N;141.17;0.88;;;;;DOPC;MDCG;27;0;"MARTINI bead: C3_P3";;;;;;;0.6;;-0.8;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM412893;MM412893;CCC=C1C=C(C#N)CC1;FCRULHJHQBBKQB-UHFFFAOYSA-N;133.19;2.57;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC2_SN0";;;;;;;3.13;;0.3;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM412894;MM412894;C=CC1=CCN(C)C(=O)C1;QGLFJEXSLIYCPI-UHFFFAOYSA-N;137.18;0.96;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNda_SN0";;;;;;;1.17;;-1.13;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM412895;MM412895;C=CC12CC1CN(C=N)N2;SXEBOKUSNFQZRS-UHFFFAOYSA-N;137.19;0.36;;;;;DOPC;MDCG;27;1;"MARTINI bead: SC4_SP3";;;;;;;0.23;;-3.37;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM412896;MM412896;C#Cc1onc(C=O)c1N;FSPNMJGUPIZHCM-UHFFFAOYSA-N;136.11;0.05;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNa_SNd";;;;;;;0.87;;-1.88;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM412897;MM412897;CC=CC(=O)C(C#N)C#N;HMQXPWJWDHTQCU-UHFFFAOYSA-N;134.14;0.79;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4_P1";;;;;;;1.37;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM412898;MM412898;CNc1c[nH]c(N)c1;LKKMJMIGWBLSIT-UHFFFAOYSA-N;111.15;0.64;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNd_SP1";;;;;;;0.04;;-2.63;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM412899;MM412899;CN1CC=C(C=O)CC1=O;ABTHTGJSFVYFHK-UHFFFAOYSA-N;139.15;-0.03;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNda_SP1";;;;;;;0.04;;-2.73;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM412900;MM412900;O=CC1=CC(=CCO)CC1;QOSLXEJBCKAYHF-UHFFFAOYSA-N;138.17;0.82;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNda_SNa";;;;;;;0.87;;-1.99;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM412901;MM412901;C=CC12CC1CN(C=O)N2;KFMIOPGNUYADNY-UHFFFAOYSA-N;138.17;-0.09;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC4_SP2";;;;;;;1.09;;-0.38;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM412902;MM412902;C#Cc1onc(C#N)c1N;MXAWILYWFLSXQR-UHFFFAOYSA-N;133.11;0.11;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNa_SNd";;;;;;;0.87;;-1.88;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM412903;MM412903;CNn1c(O)nncc1=O;VJVSLZQIOBYWLF-UHFFFAOYSA-N;142.12;-1.48;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP3_SP2";;;;;;;-2.2;;-9.47;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM412904;MM412904;CN(O)C(=N)C(=O)C(=O)O;NISNANFRMQQQEA-UHFFFAOYSA-N;146.1;-1.06;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_P2";;;;;;;-1.34;;-8.93;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM412905;MM412905;CN1CC=C(C#N)CC1=O;JTUJSRQMFNVJGZ-UHFFFAOYSA-N;136.15;0.3;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNda_SP1";;;;;;;0.04;;-2.73;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM412906;MM412906;N=CN1CC2CC2(C=O)N1;KAYGUIDMPMBGQR-UHFFFAOYSA-N;139.16;-0.63;;;;;DOPC;MDCG;27;1;"MARTINI bead: SP3_SP2";;;;;;;-2.2;;-7.51;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM412907;MM412907;C#Cc1onc(C=C)c1F;MEMNYBKUFQHWMS-UHFFFAOYSA-N;137.11;1.44;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNa_SNa";;;;;;;0.87;;-2.22;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM412908;MM412908;N#CC1=CC(=CCO)CC1;DHTOOOYNPPOLPV-UHFFFAOYSA-N;135.17;1.15;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNda_SN0";;;;;;;1.17;;-1.13;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM412909;MM412909;O=c1nnc(=O)[nH]c(O)n1;KRXPIGCUPRQXHJ-UHFFFAOYSA-N;142.07;-2.37;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP4_SP4";;;;;;;-3.24;;-11.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM412910;MM412910;O=C(O)C(O)C#CC=NO;ZSUPUTKRQZAILK-UHFFFAOYSA-N;143.1;-1.1;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_P1";;;;;;;-1.06;;-8.43;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM412911;MM412911;C=CC1=CCN(N)C(=O)C1;GTBPFVMIUNDZEL-UHFFFAOYSA-N;138.17;0.2;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP1_SN0";;;;;;;0.34;;-1.53;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM412912;MM412912;C#Cc1onc(C#N)c1F;LQLNRUXEHLLVDS-UHFFFAOYSA-N;136.09;0.67;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNa_SNa";;;;;;;0.87;;-2.22;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM412913;MM412913;N#CC12CC1CN(C=N)N2;JVUUGCBVORBCED-UHFFFAOYSA-N;136.16;-0.3;;;;;DOPC;MDCG;27;1;"MARTINI bead: SP3_SP2";;;;;;;-2.2;;-7.44;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM412914;MM412914;C=CC1=CC(=CCC)CO1;IQZSWQILXIYMCU-UHFFFAOYSA-N;136.19;2.42;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC5_SNa";;;;;;;1.64;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM412915;MM412915;CCn1[nH]nc(C#N)c1=O;NPIOTHNWGKPAKV-UHFFFAOYSA-N;138.13;-0.54;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP2_SP1";;;;;;;-1.06;;-8.51;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM412916;MM412916;C#CCOCC(=CC)OC;LTDVIULIOZKMOY-UHFFFAOYSA-N;140.18;1.19;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_Na";;;;;;;1.64;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM412917;MM412917;C#CC1=CCC(CC)=C1C;JFDYZESOKVIXOT-UHFFFAOYSA-N;132.21;2.68;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC1_SC5";;;;;;;3.68;;0.46;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM412918;MM412918;C=CC1=CCN(C)C(=N)N1;IPKVKXNXQJPAPC-UHFFFAOYSA-N;137.19;0.53;;;;;DOPC;MDCG;27;1;"MARTINI bead: SP1_SP1";;;;;;;-0.79;;-7.51;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM412919;MM412919;O=CN1CC2CC2(C=O)N1;ZFIPJTZVWVHVLE-UHFFFAOYSA-N;140.14;-1.08;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP2_SP2";;;;;;;-1.34;;-4.31;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM412920;MM412920;C=CC1=CC(=CCN)CO1;IXFDVWIAFWCBKM-UHFFFAOYSA-N;137.18;0.97;;;;;DOPC;MDCG;27;1;"MARTINI bead: SP1_SNa";;;;;;;0.04;;-4.76;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM412921;MM412921;C=CC(C=O)C(=C)C=NO;XQEWTOGNSQDGBB-UHFFFAOYSA-N;139.15;1;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda_Na";;;;;;;0.87;;-1.99;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM412922;MM412922;C#CCOCC(=CF)OC;BBEZXWDWPQNZLN-UHFFFAOYSA-N;144.15;1.09;;;;;DOPC;MDCG;27;0;"MARTINI bead: N0_Na";;;;;;;1.17;;-1.18;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM412923;MM412923;C#CC1=CCC(CN)=C1C;CLWKNAKTLVUXHC-UHFFFAOYSA-N;133.19;1.22;;;;;DOPC;MDCG;27;1;"MARTINI bead: SNd_SC5";;;;;;;1.64;;-2.11;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM412924;MM412924;C=CC1=CCN(N)C(=N)N1;ZKAXUEXHXQUVEF-UHFFFAOYSA-N;138.17;-0.23;;;;;DOPC;MDCG;27;1;"MARTINI bead: SP2_SP1";;;;;;;-1.06;;-7.36;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM412925;MM412925;N#CC12CC1CN(C=O)N2;XRTDYWVIHPQQOL-UHFFFAOYSA-N;137.14;-0.75;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP2_SP2";;;;;;;-1.34;;-4.31;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM412926;MM412926;CCC=C1C=C(C=O)OC1;WLANOAMZRPDLKX-UHFFFAOYSA-N;138.17;1.44;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC5_SNa";;;;;;;1.64;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM412927;MM412927;C=C(C=NO)C(C#N)C=O;VTAYGCZGXMCENB-UHFFFAOYSA-N;138.13;0.34;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_Na";;;;;;;0.04;;-2.54;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM412928;MM412928;C#CCCN=C(CC)NC;GOJREVOEVCJZEC-UHFFFAOYSA-N;138.21;1.04;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_C5";;;;;;;1.64;;-4.21;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM412929;MM412929;C#CC1=CCC(CO)=C1C;QFBIUBGLDDKNJT-UHFFFAOYSA-N;134.18;1.26;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNda_SC5";;;;;;;1.64;;0.05;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM412930;MM412930;C=CC1=CCN(O)C(=N)N1;UBJMMDNCJLTDMM-UHFFFAOYSA-N;139.16;0.29;;;;;DOPC;MDCG;27;1;"MARTINI bead: SP2_SP1";;;;;;;-1.06;;-5.84;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM412931;MM412931;C=CC12CC1CN(C=O)O2;NBHHWWXFDACMFL-UHFFFAOYSA-N;139.15;0.33;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC4_SP2";;;;;;;1.09;;-0.38;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM412932;MM412932;CCC=C1C=C(C#N)OC1;FKAKOGYWXIJNBT-UHFFFAOYSA-N;135.17;1.76;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC5_SNa";;;;;;;1.64;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM412933;MM412933;C=CN(C=O)C(=C)C=CC;TVKCEWQHXWYWFG-UHFFFAOYSA-N;137.18;1.68;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4_P1";;;;;;;1.37;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM412934;MM412934;CNc1coc(C)n1;GHZDBZVMBJYGAX-UHFFFAOYSA-N;112.13;1.02;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNda_SN0";;;;;;;1.17;;-1.13;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM412935;MM412935;C#CC1=CCC(CF)=C1C;YOPNFIPRFFMZRK-UHFFFAOYSA-N;136.17;2.24;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC4_SC5";;;;;;;2.97;;0.45;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM412936;MM412936;C=CC1=CCN(C)C(=O)N1;BVJJYVWIYMFCSA-UHFFFAOYSA-N;138.17;0.71;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP1_SP1";;;;;;;-0.79;;-3.13;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM412937;MM412937;C#CCCNC(CO)=NC;UIIVZFMAXKAUKH-UHFFFAOYSA-N;140.19;-0.38;;;;;DOPC;MDCG;27;1;"MARTINI bead: P2_C5";;;;;;;0.54;;-4.01;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM412938;MM412938;O=CC1=CC(=CCO)CO1;GDBXMGIXIJPCRD-UHFFFAOYSA-N;140.14;0.02;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNda_SNa";;;;;;;0.87;;-1.99;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM412939;MM412939;C=CN(C=O)C(=C)C=CF;SANQWMZPEMLVFC-UHFFFAOYSA-N;141.15;1.59;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_P1";;;;;;;0.81;;-0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM412940;MM412940;O=CN1CC2CC2(C=O)O1;JCPSTMUWAWOZLQ-UHFFFAOYSA-N;141.13;-0.65;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP2_SP2";;;;;;;-1.34;;-4.31;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM412941;MM412941;C#CC1=CCC(OC)=C1C;CSDCFBSFFVKNMK-UHFFFAOYSA-N;134.18;1.87;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC4_SC5";;;;;;;2.97;;0.45;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM412942;MM412942;CN1CC=C(C=O)NC1=O;VJQJHACVNZJZQZ-UHFFFAOYSA-N;140.14;-0.28;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP1_SP2";;;;;;;-1.06;;-3.82;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM412943;MM412943;N#CC1=CC(=CCO)CO1;OXMXGLLWBRIGQI-UHFFFAOYSA-N;137.14;0.34;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNda_SNa";;;;;;;0.87;;-1.99;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM412944;MM412944;C#CCCNC(=NC)NC;WDIOCTBDFHNXTI-UHFFFAOYSA-N;139.2;-0.2;;;;;DOPC;MDCG;27;1;"MARTINI bead: P2_C5";;;;;;;0.54;;-5.88;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM412945;MM412945;N=CN(C=O)C(=N)C=CF;KZGZYIRDGSQBCW-UHFFFAOYSA-N;143.12;0.51;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_P4";;;;;;;-0.41;;-2.78;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM412946;MM412946;N#CC12CC1CN(C=O)O2;VGJIVGAOGXQSJL-UHFFFAOYSA-N;138.13;-0.33;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP2_SP2";;;;;;;-1.34;;-4.31;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM412947;MM412947;C#Cc1c[nH]c(CC)c1C;XNPXROAJBHWQDF-UHFFFAOYSA-N;133.19;1.87;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC5_SN0";;;;;;;1.94;;0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM412948;MM412948;C#CC1=CCN(C)C(=N)C1;NYUKECWCBTYJSN-UHFFFAOYSA-N;134.18;0.86;;;;;DOPC;MDCG;27;1;"MARTINI bead: SNd_SP1";;;;;;;0.04;;-6.64;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM412949;MM412949;C=CC1CC2NC2(C=O)C1;VYQZZSOOMDPCNC-UHFFFAOYSA-N;137.18;0.49;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC2_SP1";;;;;;;2;;0.31;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM412950;MM412950;C#CCCNC(=NN)NN;RUKPTJQQJJIUGO-UHFFFAOYSA-N;141.18;-1.71;;;;;DOPC;MDCG;27;1;"MARTINI bead: P4_C5";;;;;;;-0.41;;-5.51;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM412951;MM412951;C=CC1=CC(=NCC)NC1;GOVFWQLLKCZDMB-UHFFFAOYSA-N;136.2;1.12;;;;;DOPC;MDCG;27;1;"MARTINI bead: SNd_SP1";;;;;;;0.04;;-5.38;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM412952;MM412952;N=C(C=CF)N(C=O)C=O;DNFWZTKHOFULJR-UHFFFAOYSA-N;144.11;0.06;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_P4";;;;;;;-0.41;;-2.78;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM412953;MM412953;C#Cc1c[nH]c(CF)c1C;ZWDFORWIVRJROH-UHFFFAOYSA-N;137.16;1.77;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNda_SN0";;;;;;;1.17;;-1.13;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM412954;MM412954;C#CC1=CCN(N)C(=N)C1;YCEJNSPCJUZFEU-UHFFFAOYSA-N;135.17;0.1;;;;;DOPC;MDCG;27;1;"MARTINI bead: SP1_SP1";;;;;;;-0.79;;-5.28;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM412955;MM412955;N#CC1CC2NC2(C=O)C1;CMEAFJNJIOGVNT-UHFFFAOYSA-N;136.15;-0.17;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP1_SC5";;;;;;;0.81;;-0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM412956;MM412956;C#CCCNC(=NN)NO;XSQXSTZJUURZOH-UHFFFAOYSA-N;142.16;-1.19;;;;;DOPC;MDCG;27;1;"MARTINI bead: P4_C5";;;;;;;-0.41;;-4.2;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM412957;MM412957;CCN=C1C=C(C=O)CN1;KBXCXRATOGBPHE-UHFFFAOYSA-N;138.17;0.13;;;;;DOPC;MDCG;27;1;"MARTINI bead: SNd_SP1";;;;;;;0.04;;-4.5;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM412958;MM412958;CON=C(C)CC=NN;UARNPEOGGYOPSY-UHFFFAOYSA-N;129.16;0.34;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_Nd";;;;;;;0.87;;-1.88;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM412959;MM412959;C=CN(C=C)C(=O)C=CN;QLPZPXKXPYFHBL-UHFFFAOYSA-N;138.17;0.57;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_N0";;;;;;;0.34;;-1.53;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM412960;MM412960;N=C(N)C(=O)N(N)C=NN;ANBVNMXWENYBFH-UHFFFAOYSA-N;144.14;-2.47;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_P4";;;;;;;-2.01;;-5.13;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM412961;MM412961;CNc1cc(N)c[nH]1;KLEULVSCMOXAKU-UHFFFAOYSA-N;111.15;0.64;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNd_SP1";;;;;;;0.04;;-2.63;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM412962;MM412962;C#CC1=CCN(C)C(=O)C1;IMFQFTRUPCUZIX-UHFFFAOYSA-N;135.17;0.41;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNda_SP1";;;;;;;0.04;;-2.73;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM412963;MM412963;CCN=C1C=C(C#N)CN1;XOJLIIHJPVZXIX-UHFFFAOYSA-N;135.17;0.46;;;;;DOPC;MDCG;27;1;"MARTINI bead: SNd_SP1";;;;;;;0.04;;-4.15;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM412964;MM412964;C#Cc1c[nH]c(CN)c1N;KDBXRAOIXRBBKG-UHFFFAOYSA-N;135.17;0.04;;;;;DOPC;MDCG;27;1;"MARTINI bead: SP1_SNd";;;;;;;0.04;;-3.72;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM412965;MM412965;C=CN(C=C)C(=O)C=CF;RAVCKUULSVSBKX-UHFFFAOYSA-N;141.15;1.59;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_P1";;;;;;;0.81;;-0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM412966;MM412966;C=CC12CN(C=N)CC1N2;DRNWDPAZJQNGAH-UHFFFAOYSA-N;137.19;-0.19;;;;;DOPC;MDCG;27;1;"MARTINI bead: SP2_SP1";;;;;;;-1.06;;-7.11;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM412967;MM412967;CCC(O)CC1CC1;XDSZRCJOLWMRFZ-UHFFFAOYSA-N;114.19;1.56;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda_SC5";;;;;;;1.64;;0.05;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM412968;MM412968;CC(F)C#CCOC=NN;LMGLDEXWDNHNID-UHFFFAOYSA-N;144.15;0.27;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_P1";;;;;;;0.81;;-0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM412969;MM412969;CC(C)C1=NC(=NN)N=C1;ORIDZJIOHKMTJJ-UHFFFAOYSA-N;138.17;0.4;;;;;DOPC;MDCG;27;0;"MARTINI bead: SN0_SP1";;;;;;;0.34;;-1.53;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM412970;MM412970;C#Cc1c[nH]c(CO)c1N;ZZRCVRJNQXBXGN-UHFFFAOYSA-N;136.15;0.07;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNda_SNd";;;;;;;0.87;;-1.92;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM412971;MM412971;C#CCCNC(=NO)OC;COFBURQGMHATFG-UHFFFAOYSA-N;142.16;-0.01;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_C5";;;;;;;0.54;;-1.09;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM412972;MM412972;C=CC12CN(C=O)CC1N2;BLBNMTVBSHDATC-UHFFFAOYSA-N;138.17;-0.65;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP2_SP1";;;;;;;-1.06;;-3.82;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM412973;MM412973;C=C(F)C#CCOC=NN;LOVOWKYOXOJDNE-UHFFFAOYSA-N;142.13;0.39;;;;;DOPC;MDCG;27;0;"MARTINI bead: P3_C3";;;;;;;0.6;;-0.8;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM412974;MM412974;C#CCC1CC1(C)C(C)O;BSAMYMJJIXADMQ-UHFFFAOYSA-N;138.21;1.42;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_SC4";;;;;;;1.37;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM412975;MM412975;C=C1CC=C(CC)CC1=C;BFRJNEZRTMHXBN-UHFFFAOYSA-N;134.22;3.23;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC1_SC3";;;;;;;4.61;;0.31;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM412976;MM412976;C#Cc1c[nH]c(CF)c1N;DAWRUYXFBBTTLF-UHFFFAOYSA-N;138.15;1.05;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNda_SNd";;;;;;;0.87;;-1.92;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM412977;MM412977;CC(=O)C=NN1CC1;NZPXXELRKHEPAP-UHFFFAOYSA-N;112.13;-0.12;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_SP3";;;;;;;-1.93;;-4.72;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM412978;MM412978;N=CN1CC2NC2(C=O)C1;FNHLTECRKANZFR-UHFFFAOYSA-N;139.16;-1.18;;;;;DOPC;MDCG;27;1;"MARTINI bead: SP1_SP3";;;;;;;-1.93;;-7.85;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM412979;MM412979;CC(F)=COCOC=NN;MPZZFBWKTPUVPM-UHFFFAOYSA-N;148.14;0.71;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_P2";;;;;;;0.54;;-1.09;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM412980;MM412980;N=CN(C=N)C(=O)C=CF;DSGPWHIDBQDTAM-UHFFFAOYSA-N;143.12;0.51;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_P4";;;;;;;-0.41;;-2.78;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM412981;MM412981;C=C1CC=C(CN)CC1=C;WMDKQKVBNHBSKN-UHFFFAOYSA-N;135.21;1.78;;;;;DOPC;MDCG;27;1;"MARTINI bead: SNd_SC3";;;;;;;2.57;;-0.96;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM412982;MM412982;C#Cc1c[nH]c(CC)c1F;NZEMKYLEJDIMDE-UHFFFAOYSA-N;137.16;1.7;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC5_SNa";;;;;;;1.64;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM412983;MM412983;C#CCNNC(CF)=NC;WONSAZQQGQOUMD-UHFFFAOYSA-N;143.17;-0.29;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_P2";;;;;;;-0.24;;-3.24;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM412984;MM412984;N#CC12CN(C=N)CC1N2;HLJQMONJXDPJQP-UHFFFAOYSA-N;136.16;-0.86;;;;;DOPC;MDCG;27;1;"MARTINI bead: SP1_SP2";;;;;;;-1.06;;-6.88;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM412985;MM412985;C#CCC1=COC(=NN)C1;RVTRBQKPAFNYIO-UHFFFAOYSA-N;136.15;0.59;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNda_SN0";;;;;;;1.17;;-1.13;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM412986;MM412986;N=CN(C=O)C(=O)C=CF;FIEAGHFMWZHFAT-UHFFFAOYSA-N;144.11;0.06;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_P4";;;;;;;-0.41;;-2.78;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM412987;MM412987;CC(F)=CC=COC=NN;WFDFHPIQZYGZAN-UHFFFAOYSA-N;144.15;1.29;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_Nda";;;;;;;1.64;;0.05;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM412988;MM412988;C#Cc1c[nH]c(CO)c1F;PVJYXSSVNTUXOC-UHFFFAOYSA-N;139.13;0.63;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNda_SNa";;;;;;;0.87;;-1.99;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM412989;MM412989;O=CN1CC2NC2(C=O)C1;OLRMSZSFQGGQSQ-UHFFFAOYSA-N;140.14;-1.63;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP1_SP3";;;;;;;-1.93;;-4.72;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM412990;MM412990;C#CCNNC(=NN)NN;DMFWAHSAQLTEQH-UHFFFAOYSA-N;142.17;-2.59;;;;;DOPC;MDCG;27;1;"MARTINI bead: P4_N0";;;;;;;-0.88;;-6.04;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM412991;MM412991;C=C1CC=C(CF)CC1=C;PHTMYSSCGMQVBV-UHFFFAOYSA-N;138.19;2.79;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC4_SC3";;;;;;;3.9;;0.47;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM412992;MM412992;NC=CC(=O)N(C=O)C=O;ORJPENZVPLMNAL-UHFFFAOYSA-N;142.11;-1.4;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_P2";;;;;;;-1.06;;-3.82;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM412993;MM412993;CC1(C)CC1COC=NN;MXKMVWMFOYBHPH-UHFFFAOYSA-N;142.2;0.95;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC4_P1";;;;;;;1.37;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM412994;MM412994;CC=NNC(N)=CC=O;YQRRTAXXBCCTBW-UHFFFAOYSA-N;127.15;-0.42;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_P2";;;;;;;0.54;;-1.09;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM412995;MM412995;N#CC12CN(C=O)CC1N2;JMXDYQNOZFHEAE-UHFFFAOYSA-N;137.14;-1.31;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP1_SP2";;;;;;;-1.06;;-3.82;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM412996;MM412996;C#CCNNC(=NC)NO;UJKNQNMAHYRXKB-UHFFFAOYSA-N;142.16;-1.32;;;;;DOPC;MDCG;27;1;"MARTINI bead: P3_N0";;;;;;;-0.8;;-5.36;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM412997;MM412997;C=C1CC(CC)=CCC1=O;STHUSNCXPZQALM-UHFFFAOYSA-N;136.19;2.24;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC1_SNa";;;;;;;2.91;;0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM412998;MM412998;C=CC1=CC(=CCC)OC1;FBGFEMJHXOSBQE-UHFFFAOYSA-N;136.19;2.42;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC5_SN0";;;;;;;1.94;;0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM412999;MM412999;C=C(C=NN)N(C=O)C=O;XJOMXHCSLNOMES-UHFFFAOYSA-N;141.13;-0.94;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_P2";;;;;;;-1.06;;-3.82;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM413000;MM413000;C=CC12CN(N=C)CC1N2;DHVUGLROMIECSM-UHFFFAOYSA-N;137.19;-0.19;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP2_SP1";;;;;;;-1.06;;-3.82;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM413001;MM413001;CC(O)C(C)C1CC1;VNHCFSDWELHLPI-UHFFFAOYSA-N;114.19;1.41;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_SC3";;;;;;;1.74;;0.29;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM413002;MM413002;C=C1CC(CO)=CCC1=O;DSLLPPCRYPZJSZ-UHFFFAOYSA-N;138.17;0.82;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC5_SNa";;;;;;;1.64;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM413003;MM413003;C#Cc1c[nH]c(NC)c1N;GXGMTRLVBMALQB-UHFFFAOYSA-N;135.17;0.62;;;;;DOPC;MDCG;27;1;"MARTINI bead: SNd_SNd";;;;;;;0.87;;-3.17;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM413004;MM413004;C=C(C=NO)N(C=O)C=O;DUXFOQCYSOLNHI-UHFFFAOYSA-N;142.11;-0.43;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_P2";;;;;;;-1.06;;-3.82;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM413005;MM413005;C=CC1=CC(=CCN)OC1;QOHSOKYHZIWFSX-UHFFFAOYSA-N;137.18;0.97;;;;;DOPC;MDCG;27;1;"MARTINI bead: SNda_SN0";;;;;;;1.17;;-3.3;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM413006;MM413006;C=NN1CC2NC2(C=O)C1;DQOMHTZFKWWOKG-UHFFFAOYSA-N;139.16;-1.17;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP1_SP3";;;;;;;-1.93;;-4.72;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM413007;MM413007;C=C1CC(CF)=CCC1=O;CCORGZKLYBWKAH-UHFFFAOYSA-N;140.16;1.8;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC4_SNa";;;;;;;2.2;;0.34;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM413008;MM413008;CC=NNC(C)C(C)=O;HLENWMMWFVVLFJ-UHFFFAOYSA-N;128.18;0.56;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nd_Na";;;;;;;0.87;;-1.88;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM413009;MM413009;C#Cc1c[nH]c(NC)c1O;HYOYRVIJQRQUAY-UHFFFAOYSA-N;136.15;0.74;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNd_SNda";;;;;;;0.87;;-1.92;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM413010;MM413010;CCC=C1C=C(C=O)CO1;WMSIRPMRVFURLQ-UHFFFAOYSA-N;138.17;1.44;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC5_SP1";;;;;;;0.81;;-0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM413011;MM413011;C=CN(C=O)C(=N)C=NO;VANQTIRXMNCCSX-UHFFFAOYSA-N;141.13;0.03;;;;;DOPC;MDCG;27;0;"MARTINI bead: P5_N0";;;;;;;-0.81;;-4.41;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM413012;MM413012;C=NN1CC2NC2(C#N)C1;VFBPHBYAYUFEEG-UHFFFAOYSA-N;136.16;-0.85;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP1_SP2";;;;;;;-1.06;;-3.82;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM413013;MM413013;C=C1CC=C(CC)CC1=O;MTMQSAIQXVQPBW-UHFFFAOYSA-N;136.19;2.24;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC1_SNa";;;;;;;2.91;;0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM413014;MM413014;C=CC(O)C1(C)CC1C;KFRMRENPGLGJNQ-UHFFFAOYSA-N;126.2;1.58;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC5_Nda";;;;;;;1.64;;0.05;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM413015;MM413015;CC(CF)ON=CCF;AJGDXOKRDSUQGW-UHFFFAOYSA-N;137.13;1.32;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4_P1";;;;;;;1.37;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM413016;MM413016;CCC=C1C=C(C#N)CO1;XCMXKUBABPHNPB-UHFFFAOYSA-N;135.17;1.76;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC5_SP1";;;;;;;0.81;;-0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM413017;MM413017;CN1CC2(C)C(C1=O)N2C;ZGFDYFANGHABCW-UHFFFAOYSA-N;140.19;-0.47;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP2_SP1";;;;;;;-1.06;;-3.82;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM413018;MM413018;C=CC12CC(C=O)CC1O2;DGZRJGXTNYMAQC-UHFFFAOYSA-N;138.17;0.92;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNa_SNa";;;;;;;0.87;;-2.22;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM413019;MM413019;C=C1CC=C(CO)CC1=O;LBYSHBWMNYXVDD-UHFFFAOYSA-N;138.17;0.82;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC5_SNa";;;;;;;1.64;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM413020;MM413020;C#CCON=C(CC)NN;WWNCFWRRDCYARP-UHFFFAOYSA-N;141.17;-0.18;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nd_Na";;;;;;;0.87;;-1.88;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM413021;MM413021;C#Cc1c[nH]c(OC)c1C;VTHAPAPZLPQFOO-UHFFFAOYSA-N;135.17;1.31;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNda_SN0";;;;;;;1.17;;-1.13;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM413022;MM413022;C=CN(C=C)C(=O)C=NO;SFJCJQXUXJHICF-UHFFFAOYSA-N;140.14;0.56;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_Nd";;;;;;;0.04;;-2.63;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM413023;MM413023;C=C1CC=C(CF)CC1=O;QGGDAYVOJAJRTH-UHFFFAOYSA-N;140.16;1.8;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC4_SNa";;;;;;;2.2;;0.34;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM413024;MM413024;C=CC=C1C=C(C=C)CC1;IFEOONJFNPXJFW-UHFFFAOYSA-N;132.21;3.01;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC4_SC3";;;;;;;3.9;;0.47;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM413025;MM413025;N#CC12CC(C=O)CC1O2;SWPFLELYIPGYJA-UHFFFAOYSA-N;137.14;0.26;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNa_SNa";;;;;;;0.87;;-2.22;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM413026;MM413026;C#CCONC(CN)=NC;GFZMQFAMRZEXAZ-UHFFFAOYSA-N;141.17;-0.87;;;;;DOPC;MDCG;27;1;"MARTINI bead: P2_Nda";;;;;;;-0.24;;-4.37;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM413027;MM413027;C=CC1=CC(=CC=O)CC1;FUKKRSYXVXTJMG-UHFFFAOYSA-N;134.18;2.02;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC3_SNa";;;;;;;2.57;;0.45;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM413028;MM413028;C#Cc1c[nH]c(OC)c1N;YKBHLKWNHWYNHX-UHFFFAOYSA-N;136.15;0.59;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNda_SNd";;;;;;;0.87;;-1.92;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM413029;MM413029;C=C1CC=C(OC)CC1=C;ZUAHFSBELMIGLX-UHFFFAOYSA-N;136.19;2.42;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC5_SC3";;;;;;;3.34;;0.48;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM413030;MM413030;C=CC(=O)C1NC1(C)CC;VQQWUIUDJVYNBL-UHFFFAOYSA-N;139.2;0.88;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNd_Na";;;;;;;0.87;;-1.88;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM413031;MM413031;C=CC12CN(C=N)CC1O2;SXTVQSIOQDFGPF-UHFFFAOYSA-N;138.17;0.23;;;;;DOPC;MDCG;27;1;"MARTINI bead: SP1_SP1";;;;;;;-0.79;;-5.89;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM413032;MM413032;C=CC(F)C(C)=NN=C;JSLREUSGTXWQHA-UHFFFAOYSA-N;128.15;1.59;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_Na";;;;;;;1.64;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM413033;MM413033;C=CC1=CC(=CC#N)CC1;ODGLCFGPBSPDBW-UHFFFAOYSA-N;131.18;2.34;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC3_SC5";;;;;;;3.34;;0.48;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM413034;MM413034;C#Cc1c[nH]c(OC)c1O;NNVQRORBOJFIRO-UHFFFAOYSA-N;137.14;0.71;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNda_SNda";;;;;;;0.87;;-2.07;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM413035;MM413035;C=C1CC(OC)=CCC1=O;COFAIXOBEYQYDD-UHFFFAOYSA-N;138.17;1.44;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC5_SNa";;;;;;;1.64;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM413036;MM413036;C=CN(C=O)C(=O)C=NO;SRLPDZOTSQMXMM-UHFFFAOYSA-N;142.11;-0.43;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_P2";;;;;;;-1.06;;-3.82;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM413037;MM413037;C=CC12CN(C=O)CC1O2;LWPQGDRACHWUMA-UHFFFAOYSA-N;139.15;-0.22;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP1_SP1";;;;;;;-0.79;;-3.13;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM413038;MM413038;COCC(=NN)C(F)F;AUWAOLFNJRLMRQ-UHFFFAOYSA-N;138.12;0.21;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_N0";;;;;;;0.34;;-1.53;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM413039;MM413039;C#Cc1coc(CC)c1C;RKQWIQILFRWIGF-UHFFFAOYSA-N;134.18;2.13;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC4_SC5";;;;;;;2.97;;0.45;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM413040;MM413040;C=C1CC=C(CC)NC1=N;OGOYASVGXPXGKY-UHFFFAOYSA-N;136.2;1.81;;;;;DOPC;MDCG;27;1;"MARTINI bead: SC5_SNd";;;;;;;1.64;;-3.99;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM413041;MM413041;CC1=NNC(C#N)(C#N)C1;NJKHEOZZANFGQK-UHFFFAOYSA-N;134.14;0.14;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP1_SNd";;;;;;;0.04;;-2.63;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM413042;MM413042;C=CC=C1C=C(C=O)CC1;XEBHYVSSBUSGNP-UHFFFAOYSA-N;134.18;2.02;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC4_SNa";;;;;;;2.2;;0.34;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM413043;MM413043;N=CN1CC2OC2(C=O)C1;LCTAPQDRVQXYLK-UHFFFAOYSA-N;140.14;-0.75;;;;;DOPC;MDCG;27;1;"MARTINI bead: SP1_SP2";;;;;;;-1.06;;-6.49;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM413044;MM413044;C=C1CC(C)C(C)C1O;CCVVERTYJSKJHK-UHFFFAOYSA-N;126.2;1.58;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNda_SC2";;;;;;;2.83;;0.57;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM413045;MM413045;CNN=CC(=N)NOC=O;GGCMVRRFPFQDFF-UHFFFAOYSA-N;144.13;-1.15;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_P2";;;;;;;-1.06;;-3.82;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM413046;MM413046;C#Cc1coc(CO)c1C;MHHLPIPSMZNUDT-UHFFFAOYSA-N;136.15;1.06;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNda_SC5";;;;;;;1.64;;0.05;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM413047;MM413047;C=C1CNC(CC)=NC1=C;YIQCOQOXKSYYAY-UHFFFAOYSA-N;136.2;1.47;;;;;DOPC;MDCG;27;1;"MARTINI bead: SC5_SP1";;;;;;;0.81;;-3.72;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM413048;MM413048;C=CC=C1C=C(C#N)CC1;LBXQNFSDVGMWEP-UHFFFAOYSA-N;131.18;2.34;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC4_SN0";;;;;;;2.5;;0.44;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM413049;MM413049;N#CC12CN(C=N)CC1O2;ALYJYVQKHZCOLR-UHFFFAOYSA-N;137.14;-0.43;;;;;DOPC;MDCG;27;1;"MARTINI bead: SP1_SP2";;;;;;;-1.06;;-6.32;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM413050;MM413050;C=NN(C=O)C(=C)C=CF;SXHJMXHJDQEURQ-UHFFFAOYSA-N;142.13;1.06;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_P1";;;;;;;0.81;;-0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM413051;MM413051;CNN=c1ncn(C)o1;OLXVDMOONKKIPN-UHFFFAOYSA-N;128.14;-0.95;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP1_SP2";;;;;;;-1.06;;-3.82;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM413052;MM413052;C#Cc1coc(CC)c1N;FBHSRTNEGQKSQO-UHFFFAOYSA-N;135.17;1.41;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC4_SNd";;;;;;;2.2;;0.32;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM413053;MM413053;C=C1CNC(CN)=NC1=C;VYONWSPISIHYRB-UHFFFAOYSA-N;137.19;0.02;;;;;DOPC;MDCG;27;1;"MARTINI bead: SP1_SP1";;;;;;;-0.79;;-5.03;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM413054;MM413054;O=CC=C1C=C(C=O)CC1;KRZSTCZNJCYLNI-UHFFFAOYSA-N;136.15;1.03;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNa_SNa";;;;;;;0.87;;-2.22;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM413055;MM413055;O=CN1CC2OC2(C=O)C1;HCLHSWOFWAWDMC-UHFFFAOYSA-N;141.13;-1.21;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP1_SP2";;;;;;;-1.06;;-3.82;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM413056;MM413056;C=CC=NNCC(=O)CC;HTHPCRKKFHFIJB-UHFFFAOYSA-N;140.19;0.73;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_Nd";;;;;;;0.87;;-1.88;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM413058;MM413058;C=C1CNC(CF)=NC1=C;AENZQLFNLSCMST-UHFFFAOYSA-N;140.16;1.03;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNda_SP1";;;;;;;0.04;;-2.73;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM413057;MM413057;C#Cc1coc(CF)c1N;PWLWGXHTLJISNZ-UHFFFAOYSA-N;139.13;1.31;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC5_SNd";;;;;;;1.64;;0.02;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM413059;MM413059;N#CC12CN(C=O)CC1O2;KBJFAWSTIBSYNT-UHFFFAOYSA-N;138.13;-0.88;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP1_SP2";;;;;;;-1.06;;-3.82;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM413060;MM413060;C#CCONC(=NC)OC;ARSMBJSGQSIKQB-UHFFFAOYSA-N;142.16;-0.23;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_N0";;;;;;;0.34;;-1.53;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM413061;MM413061;N#CC=C1C=C(C=O)CC1;ZOYAHCMOUXDJLP-UHFFFAOYSA-N;133.15;1.36;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNa_SC5";;;;;;;1.64;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM413062;MM413062;C=CN(N=C)C(=O)C=CF;ACZRZVJHXBEJTB-UHFFFAOYSA-N;142.13;1.06;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_P1";;;;;;;0.81;;-0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM413063;MM413063;C#Cc1coc(CC)c1F;FHUBILNZPXPZPV-UHFFFAOYSA-N;138.14;1.96;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC4_SC5";;;;;;;2.97;;0.45;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM413064;MM413064;C=C1CN=C(CO)NC1=N;CXHPBPOJMWOGAR-UHFFFAOYSA-N;139.16;-0.49;;;;;DOPC;MDCG;27;1;"MARTINI bead: SP1_SP1";;;;;;;-0.79;;-4.33;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM413065;MM413065;C=CC12CN(N=C)CC1O2;NDWUAGWXLHWRNE-UHFFFAOYSA-N;138.17;0.24;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP1_SP1";;;;;;;-0.79;;-3.13;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM413066;MM413066;C#CCONC(=NO)OC;QNQVDBZLCAMPCE-UHFFFAOYSA-N;144.13;-0.47;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_Nda";;;;;;;-0.24;;-3.31;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM413067;MM413067;N#CC1=CC(=CC=O)CC1;BLSWXWLMECDPRA-UHFFFAOYSA-N;133.15;1.36;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNa_SN0";;;;;;;1.17;;-1.18;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM413068;MM413068;C#CC(C)OC=NNCC;WFNQCLZKWIKVDA-UHFFFAOYSA-N;140.19;0.58;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_C5";;;;;;;0.54;;-1.09;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM413069;MM413069;C#Cc1coc(NC)c1C;LCYBXCLUYGEZOB-UHFFFAOYSA-N;135.17;1.61;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNd_SC5";;;;;;;1.64;;0.02;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM413070;MM413070;C=C1CN=C(NN)NC1=C;CUEZFCUYISRBOO-UHFFFAOYSA-N;138.17;-0.52;;;;;DOPC;MDCG;27;1;"MARTINI bead: SP2_SN0";;;;;;;0.06;;-5.4;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM413071;MM413071;C=NN1CC2OC2(C#N)C1;KLOUYIPUMNMNAY-UHFFFAOYSA-N;137.14;-0.42;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP1_SP2";;;;;;;-1.06;;-3.82;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM413072;MM413072;C#CCCOC(=CC)CC;SNCYYFUJAUYYPJ-UHFFFAOYSA-N;138.21;2.34;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4_C5";;;;;;;2.97;;0.45;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM413073;MM413073;N#CC=C1C=C(C#N)CC1;CEMUKUQEGFVUMT-UHFFFAOYSA-N;130.15;1.68;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC5_SN0";;;;;;;1.94;;0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM413074;MM413074;CCC=NNC=C(C)C=O;FBMIJBCJQJHYDZ-UHFFFAOYSA-N;140.19;1.07;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nd_Na";;;;;;;0.87;;-1.88;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM413075;MM413075;C#Cc1coc(NC)c1N;XJTAFFBWWRGUGX-UHFFFAOYSA-N;136.15;0.88;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNd_SNd";;;;;;;0.87;;-2.11;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM413076;MM413076;C=C1CN=C(NO)NC1=C;RPIQJBZJSLPRHR-UHFFFAOYSA-N;139.16;-0.01;;;;;DOPC;MDCG;27;1;"MARTINI bead: SP2_SN0";;;;;;;0.06;;-3.96;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM413077;MM413077;C=C(F)C(=O)N(N)C=NN;ZUURRVPQGVUNPK-UHFFFAOYSA-N;146.13;-0.93;;;;;DOPC;MDCG;27;0;"MARTINI bead: P4_C5";;;;;;;-0.41;;-2.78;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM413078;MM413078;C#CCCOC(=CF)CC;SBVMYXCJDGPBOW-UHFFFAOYSA-N;142.17;2.25;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_C5";;;;;;;1.64;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM413079;MM413079;C#CCC(C)COC=NN;DXKHPVWOLJWQKE-UHFFFAOYSA-N;140.19;0.56;;;;;DOPC;MDCG;27;0;"MARTINI bead: C3_P1";;;;;;;1.74;;0.29;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM413080;MM413080;C#Cc1coc(OC)c1C;FLXOWWRGRFIMGY-UHFFFAOYSA-N;136.15;1.58;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNa_SC5";;;;;;;1.64;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM413081;MM413081;C=NN(C=O)C(=N)C=NO;UGTLHBSKFVVKII-UHFFFAOYSA-N;142.12;-0.5;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_P2";;;;;;;-1.06;;-3.82;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM413082;MM413082;C=C1CN=C(NC)NC1=N;XOPBPCHJJQUCCQ-UHFFFAOYSA-N;138.17;-0.3;;;;;DOPC;MDCG;27;1;"MARTINI bead: SNd_SP1";;;;;;;0.04;;-5.8;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM413083;MM413083;C=NN=C1C=C(C=O)CC1;JBKRRPSBZRWJNZ-UHFFFAOYSA-N;136.15;0.96;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC5_SNa";;;;;;;1.64;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM413084;MM413084;C=C(C)N(C=NN)C(C)=O;BQMUTCXKVVZHKL-UHFFFAOYSA-N;141.17;0.27;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4_P3";;;;;;;0.23;;-1.03;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM413085;MM413085;C#CCCOC(=CC)CN;FEIMIENZTPCAAY-UHFFFAOYSA-N;139.2;0.89;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1_C5";;;;;;;0.81;;-1.94;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM413086;MM413086;C#Cc1coc(OC)c1N;NICPITHDMVPEBE-UHFFFAOYSA-N;137.14;0.85;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNa_SNd";;;;;;;0.87;;-1.88;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM413087;MM413087;CC=NNC(CF)CC#N;OHCYKDNKWZJGKT-UHFFFAOYSA-N;143.17;0.83;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nd_Na";;;;;;;0.87;;-1.88;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM413088;MM413088;C=C1CN=C(NN)NC1=N;LYOKJYNDCLCGHO-UHFFFAOYSA-N;139.16;-1.06;;;;;DOPC;MDCG;27;1;"MARTINI bead: SP2_SP1";;;;;;;-1.06;;-6.4;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM413089;MM413089;C#CC1CC2CC2(C=C)C1;AXDULVGACWDXAL-UHFFFAOYSA-N;132.21;2.22;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC4_SC4";;;;;;;3.53;;0.53;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM413090;MM413090;C=NN=C1C=C(C#N)CC1;QOIXAOYWZXBUDP-UHFFFAOYSA-N;133.15;1.29;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC5_SN0";;;;;;;1.94;;0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM413091;MM413091;C#CCCOC(=CF)CN;UEFQJMITBRZMSO-UHFFFAOYSA-N;143.16;0.8;;;;;DOPC;MDCG;27;1;"MARTINI bead: P2_C5";;;;;;;0.54;;-2.44;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM413092;MM413092;C=C1CC(=NN)C=C1F;WCXMOILHVQCYEZ-UHFFFAOYSA-N;126.13;1.11;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNd_SC4";;;;;;;2.2;;0.32;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM413093;MM413093;C=CC1=NCC(NN=C)=C1;RRLKKZZOVMRMOT-UHFFFAOYSA-N;135.17;0.72;;;;;DOPC;MDCG;27;1;"MARTINI bead: SC5_SNd";;;;;;;1.64;;-1.51;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM413094;MM413094;C#CC(C=C)C(=C)C=CC;LYBOIEXCSVWOLL-UHFFFAOYSA-N;132.21;2.55;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1_C5";;;;;;;3.68;;0.46;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM413095;MM413095;N=c1nnc(=O)cc(O)o1;SOGSFKFKIZDNFB-UHFFFAOYSA-N;141.09;-1.39;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP3_SP3";;;;;;;-3.07;;-10.22;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM413096;MM413096;C#CC1CC2CC2(C=O)C1;YOUUWCDCPCUUFQ-UHFFFAOYSA-N;134.18;1.23;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNa_SC4";;;;;;;2.2;;0.34;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM413097;MM413097;C#CCCOC(=CC)CO;LOANXKMQXXSAGB-UHFFFAOYSA-N;140.18;0.92;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_C5";;;;;;;0.81;;-0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM413098;MM413098;C=C(CCC)COC=NN;QADVFXGTTKRTCA-UHFFFAOYSA-N;142.2;1.26;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1_P3";;;;;;;0.94;;0.03;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM413099;MM413099;C#CC1COC(=O)N1N;UTMFBXVANKLTRX-UHFFFAOYSA-N;126.12;-0.69;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP2_SP3";;;;;;;-2.2;;-5.19;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM413100;MM413100;C#CC(C=C)C(=C)C=CF;SRJQXOKCLUEUMT-UHFFFAOYSA-N;136.17;2.46;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4_C5";;;;;;;2.97;;0.45;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM413101;MM413101;NN=c1[nH]c(CF)no1;UVBXJUKSEOLDQO-UHFFFAOYSA-N;132.1;-0.75;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP3_SNda";;;;;;;-1.1;;-8.35;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM413102;MM413102;C#CC1CC2(C=C)CC2N1;BNSLNDSIFAQYIQ-UHFFFAOYSA-N;133.19;0.93;;;;;DOPC;MDCG;27;1;"MARTINI bead: SP1_SNd";;;;;;;0.04;;-4.81;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM413103;MM413103;C#CCCOC(=CF)CO;IHVKCVSUSKHERK-UHFFFAOYSA-N;144.15;0.83;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_C5";;;;;;;0.54;;-1.09;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM413104;MM413104;CC1CC1ON=CCF;BZADDRCWZRSUSA-UHFFFAOYSA-N;131.15;1.37;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNa_P2";;;;;;;-0.24;;-3.24;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM413105;MM413105;C#CC(C#N)C(=C)C=CC;IIOMLKSQHSWFGE-UHFFFAOYSA-N;131.18;1.89;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1_N0";;;;;;;3.21;;0.46;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM413106;MM413106;CC1=C(F)N=NC1=CO;BDTPFVYZVNFEAG-UHFFFAOYSA-N;128.11;2.05;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC5_SNda";;;;;;;1.64;;-4.87;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM413107;MM413107;C#CC1CC2(C=O)CC2N1;XYLPYZDHYJVSGP-UHFFFAOYSA-N;135.17;-0.06;;;;;DOPC;MDCG;27;1;"MARTINI bead: SP1_SNd";;;;;;;0.04;;-4.4;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM413108;MM413108;C=NN=C1C=C(C#N)NC1;URQYXEPFPVACPK-UHFFFAOYSA-N;134.14;0.05;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP1_SNd";;;;;;;0.04;;-2.63;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM413109;MM413109;C=C(C)C(O)C1CC1C;KGPQRPZCPIFJQU-UHFFFAOYSA-N;126.2;1.58;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC5_Nda";;;;;;;1.64;;0.05;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM413110;MM413110;C#CC(C#N)C(=O)C=CC;PBINVNYNXFIYIE-UHFFFAOYSA-N;133.15;0.9;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_N0";;;;;;;1.17;;-1.18;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM413111;MM413111;NN=C(CF)CC=CF;RHSVPJRFNFVLLD-UHFFFAOYSA-N;134.13;1.14;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_C4";;;;;;;1.37;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM413112;MM413112;C=CC=C1C=C(C=C)OC1;TYPYULDBTXLWDJ-UHFFFAOYSA-N;134.18;2.2;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC5_SNa";;;;;;;1.64;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM413113;MM413113;C#CC1CC2(C=C)CC2O1;ZWROFUDDCAEMTH-UHFFFAOYSA-N;134.18;1.35;;;;;DOPC;MDCG;27;0;"MARTINI bead: SN0_SNa";;;;;;;1.17;;-1.18;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM413114;MM413114;COC(C#CC(=O)O)=CF;VJOXBOGONJCEBU-UHFFFAOYSA-N;144.1;0.53;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_P1";;;;;;;0.81;;-5.4;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM413115;MM413115;C#CCCOC(CC)=NO;UBEJOAQDHWLVNX-UHFFFAOYSA-N;141.17;1.22;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_C5";;;;;;;0.81;;-0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM413116;MM413116;FCC=NOCCCF;CUYXPJJMVOJXOQ-UHFFFAOYSA-N;137.13;1.32;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4_P1";;;;;;;1.37;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM413117;MM413117;C#CC(C=O)C(=O)C=CN;LQWLHGRSLVQPLX-UHFFFAOYSA-N;137.14;-0.52;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_Na";;;;;;;-0.24;;-3.24;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM413118;MM413118;C=CC=C1C=C(C=O)OC1;SALUIRBKFWMLHK-UHFFFAOYSA-N;136.15;1.21;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC5_SNa";;;;;;;1.64;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM413119;MM413119;C#CC1CC2(C#N)CC2O1;TWWIBADRVHOIIW-UHFFFAOYSA-N;133.15;0.69;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNa_SP1";;;;;;;0.04;;-2.54;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM413120;MM413120;OCc1n[nH]c(O)c1F;UNIGTPVKPZKWEF-UHFFFAOYSA-N;132.09;-0.25;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP1_SNda";;;;;;;0.04;;-7.64;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM413121;MM413121;C=C1CCC(CC)C1O;KTGCBCYGZIOHMP-UHFFFAOYSA-N;126.2;1.72;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC1_SNda";;;;;;;2.91;;0.57;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM413122;MM413122;C#Cc1noc(CC)c1C;YZQKVLFKXUGJHK-UHFFFAOYSA-N;135.17;1.53;;;;;DOPC;MDCG;27;0;"MARTINI bead: SN0_SNa";;;;;;;1.17;;-1.18;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM413123;MM413123;C=CC=C1C=C(C#N)OC1;CUEFZOCCYWMPLA-UHFFFAOYSA-N;133.15;1.54;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC5_SNa";;;;;;;1.64;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM413124;MM413124;C#CC(C#C)C(=C)C=CC;XPPZRDQSCKSYGV-UHFFFAOYSA-N;130.19;2;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1_N0";;;;;;;3.21;;0.46;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM413125;MM413125;C#CC1CC2CC2(C=C)N1;GQCTZSCVTKTECQ-UHFFFAOYSA-N;133.19;0.93;;;;;DOPC;MDCG;27;1;"MARTINI bead: SNd_SP1";;;;;;;0.04;;-4.48;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM413126;MM413126;C=Nn1[nH]cc(F)c1=O;BCGVMDFQAJSPIP-UHFFFAOYSA-N;129.09;-0.22;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNa_SP2";;;;;;;-0.24;;-8.07;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM413127;MM413127;CN1N=NC(=CO)C1=N;PBGVYWUCYFLBJM-UHFFFAOYSA-N;126.12;0.68;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNd_SP1";;;;;;;0.04;;-7.34;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM413128;MM413128;O=CC1NC1C(=O)O;MAVVXLZPXRLYEN-UHFFFAOYSA-N;115.09;-1.39;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_SP2";;;;;;;-1.06;;-8.79;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM413129;MM413129;C#Cc1noc(CO)c1C;YBLRTWHJTSODSV-UHFFFAOYSA-N;137.14;0.46;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP1_SNa";;;;;;;0.04;;-2.54;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM413130;MM413130;C#CC1CC2CC2(C#N)N1;HYKMLNOFRQAOBA-UHFFFAOYSA-N;132.17;0.26;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP1_SP1";;;;;;;-0.79;;-3.13;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM413131;MM413131;C#CC(C#C)C(=O)C=CC;FTCPORUEAKBMPP-UHFFFAOYSA-N;132.16;1.01;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_N0";;;;;;;1.17;;-1.18;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM413132;MM413132;C=C1CC=C(CC)OC1=C;OZBWVOKIJLOAQU-UHFFFAOYSA-N;136.19;2.77;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC4_SC4";;;;;;;3.53;;0.53;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM413133;MM413133;C#CCCOC(=NC)NC;OVUWEJKTHUSBEY-UHFFFAOYSA-N;140.19;0.23;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1_C5";;;;;;;0.81;;-1.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM413134;MM413134;C=CC1=CC(=NN=C)CO1;PLSICRZDWPDOLA-UHFFFAOYSA-N;136.15;1.14;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNa_SN0";;;;;;;1.17;;-1.18;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM413135;MM413135;C=CCCON=CCF;JLZQNOVLBIZOFK-UHFFFAOYSA-N;131.15;1.53;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_Na";;;;;;;1.64;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM413136;MM413136;CC#CC(C)C(CN)CN;ICZLITHMVPVFQH-UHFFFAOYSA-N;140.23;0.18;;;;;DOPC;MDCG;27;1;"MARTINI bead: C3_P3";;;;;;;0.6;;-3.43;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM413137;MM413137;C#CC1CC2CC2(C=C)O1;MJASQLKTWLSJAU-UHFFFAOYSA-N;134.18;1.35;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNa_SN0";;;;;;;1.17;;-1.18;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM413138;MM413138;C=C1OC(CC)=CCC1=O;BJCJGMOUVXRYCK-UHFFFAOYSA-N;138.17;1.78;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC4_SNa";;;;;;;2.2;;0.34;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM413139;MM413139;C#CCCOC(=NO)NC;MRFYTSDPZSXCRA-UHFFFAOYSA-N;142.16;-0.01;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_C5";;;;;;;0.54;;-1.09;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM413140;MM413140;C#Cc1noc(CO)c1N;NMWVHNGMYHUVSR-UHFFFAOYSA-N;138.13;-0.27;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP1_SNda";;;;;;;0.04;;-2.73;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM413141;MM413141;C=NN=C1C=C(C=O)OC1;HIWBTFUBLDNDDL-UHFFFAOYSA-N;138.13;0.16;;;;;DOPC;MDCG;27;0;"MARTINI bead: SN0_SNa";;;;;;;1.17;;-1.18;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM413142;MM413142;C#CC1CC2CC2(C=O)O1;WTSKBURLEJAWBT-UHFFFAOYSA-N;136.15;0.37;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP2_SN0";;;;;;;0.06;;-2.21;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM413143;MM413143;CC#CC(C)C(CN)CF;YSUONDVWSORCJU-UHFFFAOYSA-N;143.21;1.19;;;;;DOPC;MDCG;27;1;"MARTINI bead: C3_P1";;;;;;;1.74;;-2.02;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM413144;MM413144;C=C1OC(CO)=CCC1=O;NKPQSKFGWXPKRZ-UHFFFAOYSA-N;140.14;0.37;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNda_SNa";;;;;;;0.87;;-1.99;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM413145;MM413145;C=NN=C1C=C(C#N)OC1;ZZUXEGJIZZTSIK-UHFFFAOYSA-N;135.13;0.48;;;;;DOPC;MDCG;27;0;"MARTINI bead: SN0_SNa";;;;;;;1.17;;-1.18;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM413146;MM413146;COC1=NNC(C)C1C;CYTBXHDYGGKLHV-UHFFFAOYSA-N;128.18;0.57;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNa_SP1";;;;;;;0.04;;-2.54;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM413147;MM413147;C#Cc1noc(CC)c1F;AFAHXJBIOGNTTB-UHFFFAOYSA-N;139.13;1.36;;;;;DOPC;MDCG;27;0;"MARTINI bead: SN0_SNa";;;;;;;1.17;;-1.18;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM413148;MM413148;C#CC1CC2CC2(C#N)O1;BQGTXVSVEOJZOM-UHFFFAOYSA-N;133.15;0.69;;;;;DOPC;MDCG;27;0;"MARTINI bead: SN0_SNa";;;;;;;1.17;;-1.18;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM413149;MM413149;CC#CC(N)C(CC)CN;KBVIKDXWYGWKJH-UHFFFAOYSA-N;140.23;0.32;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_Nd";;;;;;;0.87;;-4.6;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM413150;MM413150;CCc1coc(=O)c(=O)o1;MLJAZURVRHENOP-UHFFFAOYSA-N;142.11;0.16;;;;;DOPC;MDCG;27;0;"MARTINI bead: SN0_SP1";;;;;;;0.34;;-1.53;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM413151;MM413151;C=Cc1[nH]cc(N)c1C;XAEAKJUHOKHOAP-UHFFFAOYSA-N;122.17;1.55;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNd_SNd";;;;;;;0.87;;-2.11;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM413152;MM413152;C#Cc1noc(OC)c1C;QAQXYTLICSFKBE-UHFFFAOYSA-N;137.14;0.97;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNa_SNa";;;;;;;0.87;;-2.22;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM413153;MM413153;C=CC1=CC(NC=N)=NC1;UADYQYJRRMNIJS-UHFFFAOYSA-N;135.17;0.71;;;;;DOPC;MDCG;27;1;"MARTINI bead: SC5_SP1";;;;;;;0.81;;-2.01;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM413154;MM413154;C#CC1OC2CC2(C#N)O1;IKIGHJIYWDMYEY-UHFFFAOYSA-N;135.12;0.03;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP1_SP1";;;;;;;-0.79;;-3.13;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM413155;MM413155;CC#CC(N)C(CC)CO;AZCYKRWVZYXBNM-UHFFFAOYSA-N;141.21;0.36;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nda_Nd";;;;;;;0.87;;-3.37;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM413156;MM413156;NCc1coc(=O)c(=O)o1;ONYRKPOLNULQNO-UHFFFAOYSA-N;143.1;-0.95;;;;;DOPC;MDCG;27;1;"MARTINI bead: SP2_SP1";;;;;;;-1.06;;-4.97;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM413157;MM413157;N#CCCON=CCF;VAZFFPBYOHUJOP-UHFFFAOYSA-N;130.12;0.87;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_P2";;;;;;;0.54;;-1.09;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM413158;MM413158;C#CCCOC(=NO)OC;KZMJUNPWGFWUBA-UHFFFAOYSA-N;143.14;0.42;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_C5";;;;;;;0.54;;-1.09;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM413159;MM413159;N#CC1=CC(NC=N)=NC1;SEWFDXZLKVJMDN-UHFFFAOYSA-N;134.14;0.05;;;;;DOPC;MDCG;27;1;"MARTINI bead: SP1_SP1";;;;;;;-0.79;;-4.44;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM413160;MM413160;C#CC12CC(CC)CC1C2;IKTCSFDIULQJAU-UHFFFAOYSA-N;134.22;2.45;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC1_SC4";;;;;;;4.24;;0.42;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM413161;MM413161;CC#CC(N)C(CC)CF;ATNDVODAZBAKPI-UHFFFAOYSA-N;143.21;1.33;;;;;DOPC;MDCG;27;1;"MARTINI bead: C4_Nd";;;;;;;2.2;;-1.17;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM413162;MM413162;C#CC1=CCC(C=C)=C1C;ZYMKUJSITUAZDD-UHFFFAOYSA-N;130.19;2.45;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC3_SC5";;;;;;;3.34;;0.48;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM413163;MM413163;O=c1occ(CO)oc1=O;BIVSDFIHOCWDDC-UHFFFAOYSA-N;144.08;-0.91;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP1_SP1";;;;;;;-0.79;;-3.13;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM413164;MM413164;C=CC(=CC)CCCCC;VPKYTMZOXFCYJA-UHFFFAOYSA-N;138.25;3.7;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1_C1";;;;;;;4.95;;0.69;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM413165;MM413165;C=NN=C1C=C(C=O)CN1;YKBLSVZTYZRVGJ-UHFFFAOYSA-N;137.14;-0.27;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNd_SP1";;;;;;;0.04;;-2.63;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM413166;MM413166;C#CC12CC(CN)CC1C2;UTSVKRUQDZSYMJ-UHFFFAOYSA-N;135.21;0.99;;;;;DOPC;MDCG;27;1;"MARTINI bead: SC5_SC4";;;;;;;2.97;;-0.07;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM413167;MM413167;C#CC1=CCC(C=O)=C1C;SKTOAOMZWWOCHG-UHFFFAOYSA-N;132.16;1.47;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNa_SC5";;;;;;;1.64;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM413168;MM413168;CC#CC(O)C(CC)CC;UPYMWCMDBOJNGJ-UHFFFAOYSA-N;140.23;1.81;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1_Nda";;;;;;;2.91;;0.57;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM413169;MM413169;C=CC(=CC)CCCCN;POGKIGYFNBWROI-UHFFFAOYSA-N;139.24;2.25;;;;;DOPC;MDCG;27;1;"MARTINI bead: C1_Nd";;;;;;;2.91;;-0.56;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM413170;MM413170;O=c1occ(CF)oc1=O;BKWCLMGZDNFMEF-UHFFFAOYSA-N;146.07;0.06;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNa_SP1";;;;;;;0.04;;-2.54;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM413171;MM413171;C=NN=C1C=C(C#N)CN1;XPIZUZAYEJWNSI-UHFFFAOYSA-N;134.14;0.05;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNd_SP1";;;;;;;0.04;;-2.63;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM413172;MM413172;Cc1nc(=O)n(N)nc1N;GNGOANALDIWXFB-UHFFFAOYSA-N;141.13;-1.76;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP2_SP3";;;;;;;-2.2;;-5.19;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM413173;MM413173;C#CC1=CCC(C#N)=C1C;ZCHWZJNAFWBTNP-UHFFFAOYSA-N;129.16;1.79;;;;;DOPC;MDCG;27;0;"MARTINI bead: SN0_SC5";;;;;;;1.94;;0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM413174;MM413174;CC#CC(O)C(CC)CN;LFGLIWINZWTZMY-UHFFFAOYSA-N;141.21;0.36;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_Nda";;;;;;;0.87;;-4.32;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM413175;MM413175;CNc1coc(=O)c(=O)o1;SBKIQGJPQKHPGH-UHFFFAOYSA-N;143.1;-0.37;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP1_SP1";;;;;;;-0.79;;-3.13;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM413176;MM413176;C#CC1(C#C)CN=CN1;NIRUSNWHHREHSR-UHFFFAOYSA-N;118.14;-0.38;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP1_SP2";;;;;;;-1.06;;-3.82;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM413177;MM413177;C=C(COC=NN)OCC;RVPAXJRKDLXOBJ-UHFFFAOYSA-N;144.17;0.46;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_P1";;;;;;;0.81;;-0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM413178;MM413178;C#CC12CC(CF)CC1C2;BRBOTFZIYYCOOR-UHFFFAOYSA-N;138.19;2.01;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC3_SC4";;;;;;;3.9;;0.47;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM413179;MM413179;C#CC1=CCC(C#N)=C1N;MLKCAYSELKXPER-UHFFFAOYSA-N;130.15;0.69;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNd_SC5";;;;;;;1.64;;0.02;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM413180;MM413180;CC#CC(O)C(CC)CO;OEEYYZDZHDZIJW-UHFFFAOYSA-N;142.2;0.39;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4_P3";;;;;;;0.23;;-1.03;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM413181;MM413181;COc1coc(=O)c(=O)o1;NCVINNCVJKLJGU-UHFFFAOYSA-N;144.08;-0.4;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP1_SP1";;;;;;;-0.79;;-3.13;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM413182;MM413182;C=COC(=C)COC=NN;LUBKZEIDMKNMBX-UHFFFAOYSA-N;142.16;0.58;;;;;DOPC;MDCG;27;0;"MARTINI bead: P3_C3";;;;;;;0.6;;-0.8;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM413183;MM413183;C=CC(=CC)CCCCF;IHMINMLYWRCYDK-UHFFFAOYSA-N;142.22;3.26;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1_C4";;;;;;;4.24;;0.42;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM413184;MM413184;CC#CC(O)C(CC)CF;UHJKUWSHHXVIRD-UHFFFAOYSA-N;144.19;1.37;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4_Nda";;;;;;;2.2;;0.49;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM413185;MM413185;C#CC12CC(NC)CC1C2;IUBLNAOBSMCXSL-UHFFFAOYSA-N;135.21;1.01;;;;;DOPC;MDCG;27;1;"MARTINI bead: SNd_SC4";;;;;;;2.2;;-2.56;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM413186;MM413186;C#Cc1c[nH]c(C=C)c1C;FYCFOUAPIXVWMN-UHFFFAOYSA-N;131.18;1.95;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNd_SN0";;;;;;;1.17;;-1.04;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM413187;MM413187;CCc1noc(=O)c(=O)o1;FHBCJFJDVNWWFJ-UHFFFAOYSA-N;143.1;-0.45;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNa_SP2";;;;;;;-0.24;;-3.24;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM413188;MM413188;C=CC(=CF)CCCCC;GVIIGVLHSSISNG-UHFFFAOYSA-N;142.22;3.61;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1_C2";;;;;;;4.87;;0.53;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM413189;MM413189;C=COC(=O)COC=NN;DDMXMRJRSCCBBE-UHFFFAOYSA-N;144.13;-0.41;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_N0";;;;;;;0.06;;-2.21;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM413190;MM413190;CC#CC(O)C(CO)CO;QZPFGRNHNASGNJ-UHFFFAOYSA-N;144.17;-1.03;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda_P3";;;;;;;-1.1;;-3.97;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM413191;MM413191;C#CC12CC(OC)CC1C2;AAFGYWSXDXAIMA-UHFFFAOYSA-N;136.19;1.43;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC5_SC4";;;;;;;2.97;;0.45;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM413192;MM413192;C#Cc1c[nH]c(C#N)c1C;BGJWXWJILLCXOA-UHFFFAOYSA-N;130.15;1.18;;;;;DOPC;MDCG;27;0;"MARTINI bead: SN0_SNd";;;;;;;1.17;;-1.04;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM413193;MM413193;C=CC(O)C1(CC)CC1;VHFYOJGZBATQEE-UHFFFAOYSA-N;126.2;1.72;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC3_Nda";;;;;;;2.57;;0.44;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM413194;MM413194;O=c1onc(CO)oc1=O;SCFBLYKDECIGTN-UHFFFAOYSA-N;145.07;-1.52;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP2_SP2";;;;;;;-1.34;;-4.31;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM413195;MM413195;C=Cc1cc(NC=N)no1;STBAZZZJINZNQM-UHFFFAOYSA-N;137.14;1.34;;;;;DOPC;MDCG;27;0;"MARTINI bead: SN0_SP1";;;;;;;0.34;;-1.53;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM413196;MM413196;CC#CC(F)C(CC)CC;XKOKEQNGAUIBST-UHFFFAOYSA-N;142.22;2.78;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1_C5";;;;;;;3.68;;0.46;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM413197;MM413197;C#CC12CC(CN)NC1C2;JQOBSLDVQQQBTG-UHFFFAOYSA-N;136.2;-0.3;;;;;DOPC;MDCG;27;1;"MARTINI bead: SP1_SN0";;;;;;;0.34;;-4.29;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM413198;MM413198;FC=CCON=CCF;KXVWNIYULPSDBB-UHFFFAOYSA-N;135.11;1.44;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_C5";;;;;;;1.64;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM413199;MM413199;C=CC(=CF)CCCCF;NVISPMYFVXDLND-UHFFFAOYSA-N;146.18;3.17;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_C1";;;;;;;3.68;;0.46;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM413200;MM413200;N#Cc1cc(NC=N)no1;MYCNHDZGFBMORB-UHFFFAOYSA-N;136.11;0.57;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP1_SN0";;;;;;;0.34;;-1.53;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM413201;MM413201;C=CC1=CCC(=C)C(=C)C1;VKTGWTSESBXLNA-UHFFFAOYSA-N;132.21;3.01;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC1_SC3";;;;;;;4.61;;0.31;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM413202;MM413202;CC#CC(F)C(CC)CN;MCDKHJPDJXZONG-UHFFFAOYSA-N;143.21;1.33;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_C5";;;;;;;1.64;;-2.59;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM413203;MM413203;C#Cc1c[nH]c(C#N)c1N;ATRIYGQCZUDBMS-UHFFFAOYSA-N;131.14;0.45;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNd_SNd";;;;;;;0.87;;-2.11;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM413204;MM413204;C=CC=C1C=C(C=C)CO1;JXAKRPJCYKWJDO-UHFFFAOYSA-N;134.18;2.2;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC5_SN0";;;;;;;1.94;;0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM413205;MM413205;C#CC12CC(CF)NC1C2;REQDKQFDLJARIE-UHFFFAOYSA-N;139.17;0.71;;;;;DOPC;MDCG;27;1;"MARTINI bead: SNda_SN0";;;;;;;1.17;;-2.72;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM413206;MM413206;CC=C(C=O)CCCCC;GQDZQTWJDKEALN-UHFFFAOYSA-N;140.23;2.71;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1_Na";;;;;;;2.91;;0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM413207;MM413207;C=C1CC=C(C=O)CC1=C;WTEIWFIEGRYCAL-UHFFFAOYSA-N;134.18;2.02;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC3_SNa";;;;;;;2.57;;0.45;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM413208;MM413208;CC#CC(F)C(CF)CF;MDUAGUPIPJRAMX-UHFFFAOYSA-N;150.14;1.9;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_Na";;;;;;;1.64;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM413209;MM413209;C=CN(C)C(=O)C1CN1;VEFXXVMOSBYLCI-UHFFFAOYSA-N;126.16;-0.44;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_SP2";;;;;;;-1.34;;-4.31;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM413210;MM413210;C#Cc1c[nH]c(C=C)c1F;XYDZNRRGQHAZMR-UHFFFAOYSA-N;135.14;1.78;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNd_SNa";;;;;;;0.87;;-1.88;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM413211;MM413211;C#CC12CC(CO)OC1C2;CRFCABULEWRLMH-UHFFFAOYSA-N;138.17;0.16;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP1_SN0";;;;;;;0.34;;-1.53;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM413212;MM413212;C=CC=C1C=C(C=O)CO1;WJBZAMLWLHQDBV-UHFFFAOYSA-N;136.15;1.21;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC5_SP1";;;;;;;0.81;;-0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM413213;MM413213;C=C1CC=C(C#N)CC1=C;QKDUDPIOUPYWKW-UHFFFAOYSA-N;131.18;2.34;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC3_SC5";;;;;;;3.34;;0.48;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM413214;MM413214;CC#CC(C)C(CF)NC;MPYOYEMGSAXCCL-UHFFFAOYSA-N;143.21;1.2;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1_C3";;;;;;;1.74;;-0.61;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM413215;MM413215;C#CC12CC(CF)OC1C2;NYOVBQDHSAVMLQ-UHFFFAOYSA-N;140.16;1.14;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNa_SN0";;;;;;;1.17;;-1.18;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM413216;MM413216;C#Cc1c[nH]c(C#N)c1F;OYKHEVQOCWOBAG-UHFFFAOYSA-N;134.11;1.01;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNa_SNd";;;;;;;0.87;;-1.88;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM413217;MM413217;C=CC=C1C=C(C#N)CO1;OFHBTIFOQNRRMQ-UHFFFAOYSA-N;133.15;1.54;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC5_SP1";;;;;;;0.81;;-0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM413218;MM413218;C=CC1(C=C)CC(C)(O)C1;OMQOOOUNCGSWSH-UHFFFAOYSA-N;138.21;1.89;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNda_SC3";;;;;;;2.57;;0.44;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM413219;MM413219;C=CC1=CCC(=O)C(=C)C1;RKGCJIIYEDZFOJ-UHFFFAOYSA-N;134.18;2.02;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC1_SNa";;;;;;;2.91;;0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM413220;MM413220;C#Cc1coc(C=C)c1C;NBQGICXSXHFLCR-UHFFFAOYSA-N;132.16;2.21;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC5_SC5";;;;;;;2.41;;0.64;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM413221;MM413221;C=NN=C1C=C(C#N)CO1;XCVZPBBGQPKMAZ-UHFFFAOYSA-N;135.13;0.48;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNa_SP1";;;;;;;0.04;;-2.54;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM413222;MM413222;C#CC12CC1CC(CC)N2;VZNGFTPLAYSQOG-UHFFFAOYSA-N;135.21;1.15;;;;;DOPC;MDCG;27;1;"MARTINI bead: SN0_SNd";;;;;;;1.17;;-3.69;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM413223;MM413223;CC#CC(N)C(CC)NC;RCBOVZGMRUEHAT-UHFFFAOYSA-N;140.23;0.34;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_Nd";;;;;;;0.87;;-4.43;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM413224;MM413224;CC=C(C=O)CCCCF;ZCIOGVBMHBXIFA-UHFFFAOYSA-N;144.19;2.27;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_C4";;;;;;;2.2;;0.34;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM413225;MM413225;C=C1CC(C=O)=CCC1=O;VPWJBPXCEVGLNB-UHFFFAOYSA-N;136.15;1.03;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNa_SNa";;;;;;;0.87;;-2.22;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM413226;MM413226;C#Cc1coc(C=C)c1N;CKXAUPACSUICNA-UHFFFAOYSA-N;133.15;1.49;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC5_SNd";;;;;;;1.64;;0.02;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM413227;MM413227;C#CC12CC1CC(CN)N2;WCVMYUVKABMGMP-UHFFFAOYSA-N;136.2;-0.3;;;;;DOPC;MDCG;27;1;"MARTINI bead: SP1_SNd";;;;;;;0.04;;-4.95;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM413228;MM413228;C#CC=C1C=C(C=C)CC1;LRCBPSBFXOAFNO-UHFFFAOYSA-N;130.19;2.45;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC3_SC4";;;;;;;3.9;;0.47;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM413229;MM413229;CC#CC(O)C(CC)NC;WGYFSZLQBJGBHK-UHFFFAOYSA-N;141.21;0.37;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_Nda";;;;;;;0.87;;-4.04;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM413230;MM413230;CC=C(C#N)CCCCF;IMQHLJWDYXFPJS-UHFFFAOYSA-N;141.19;2.6;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_C4";;;;;;;2.97;;0.45;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM413231;MM413231;C=C1CC(C#N)=CCC1=O;FIMIUNQNNGGHNV-UHFFFAOYSA-N;133.15;1.36;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC5_SNa";;;;;;;1.64;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM413232;MM413232;C#Cc1coc(C=O)c1N;USTRJUXJBCBWLC-UHFFFAOYSA-N;135.12;0.66;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNa_SNd";;;;;;;0.87;;-1.88;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM413233;MM413233;C#CC=C1C=C(C=O)CC1;SKRGUEAWDURQBD-UHFFFAOYSA-N;132.16;1.47;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNa_SC4";;;;;;;2.2;;0.34;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM413234;MM413234;C#CC12CC1CC(CO)N2;YOUBDCCGFPIEML-UHFFFAOYSA-N;137.18;-0.27;;;;;DOPC;MDCG;27;1;"MARTINI bead: SP1_SNd";;;;;;;0.04;;-4.54;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM413235;MM413235;CC#CC(F)C(CN)NC;AKXLTXHNELAEOG-UHFFFAOYSA-N;144.19;-0.11;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nda_P2";;;;;;;-0.24;;-5.2;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM413236;MM413236;CCCCCC(C=O)=CN;PVHDIHMVDVBZQL-UHFFFAOYSA-N;141.21;1.61;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1_P1";;;;;;;2.08;;0.48;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM413237;MM413237;C=C1CC=C(C=O)NC1=N;KMXLBMQSYGTXMT-UHFFFAOYSA-N;136.15;0.6;;;;;DOPC;MDCG;27;1;"MARTINI bead: SNd_SNda";;;;;;;0.87;;-3.64;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM413238;MM413238;C#CC=C1C=C(C#N)CC1;GVYQISXEAGKASU-UHFFFAOYSA-N;129.16;1.79;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC4_SN0";;;;;;;2.5;;0.44;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM413239;MM413239;C#Cc1coc(C#N)c1N;WVZDLAAMWUQRIL-UHFFFAOYSA-N;132.12;0.71;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNd_SN0";;;;;;;1.17;;-1.04;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM413240;MM413240;C#CC12CC1CC(CC)O2;DPDBVWDHLNCCMQ-UHFFFAOYSA-N;136.19;1.58;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC5_SNa";;;;;;;1.64;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM413241;MM413241;CCCCCC(C=O)=CF;OIUZLLOQSXFQDC-UHFFFAOYSA-N;144.19;2.62;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1_Na";;;;;;;2.91;;0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM413242;MM413242;CC#CC(C)C(CO)OC;MDVMMIFUMFYHNV-UHFFFAOYSA-N;142.2;0.65;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_C3";;;;;;;1.46;;-0.15;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM413243;MM413243;C=CC1=CCC(=C)C(=O)N1;FXZYZZBZVTYVEI-UHFFFAOYSA-N;135.17;1.13;;;;;DOPC;MDCG;27;0;"MARTINI bead: SN0_SNa";;;;;;;1.17;;-1.18;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM413244;MM413244;C#CC=C1C=C(C=C)OC1;XYUZMPJBUJYPDP-UHFFFAOYSA-N;132.16;1.65;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNa_SN0";;;;;;;1.17;;-1.18;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM413245;MM413245;C#CC12CC1CC(CO)O2;SZLSONQWVBJQDZ-UHFFFAOYSA-N;138.17;0.16;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP1_SNa";;;;;;;0.04;;-2.54;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM413246;MM413246;C#Cc1coc(C=C)c1F;NRLXDULOZMQQLT-UHFFFAOYSA-N;136.13;2.04;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC5_SC5";;;;;;;2.41;;0.64;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM413247;MM413247;C=C1C(=C)C2(O)CC1(C)C2;HLSWALQGAYVCST-UHFFFAOYSA-N;136.19;1.64;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC3_SNda";;;;;;;2.57;;0.44;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM413248;MM413248;CC#CC(O)C(CO)OC;IJQZYWXEMVUAJY-UHFFFAOYSA-N;144.17;-0.62;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_Nda";;;;;;;-0.24;;-3.31;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM413249;MM413249;C=CC1=NC(=C)C(=C)CN1;VJEXEMPXLSZIPC-UHFFFAOYSA-N;134.18;1.24;;;;;DOPC;MDCG;27;1;"MARTINI bead: SNd_SP1";;;;;;;0.04;;-5.6;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM413250;MM413250;C#CC=C1C=C(C=O)OC1;XLABSKDWDHITJF-UHFFFAOYSA-N;134.13;0.66;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNa_SN0";;;;;;;1.17;;-1.18;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM413251;MM413251;C#Cc1coc(C#N)c1F;VBYJQYDFUQCBHD-UHFFFAOYSA-N;135.1;1.27;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC5_SN0";;;;;;;1.94;;0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM413252;MM413252;C#CC12CC1OC(CC)O2;KIRCPCSQYNHAIV-UHFFFAOYSA-N;138.17;0.91;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNa_SP1";;;;;;;0.04;;-2.54;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM413253;MM413253;C=C(C1CC1C)C(C)(C)O;KMHHJPZWTBFTTB-UHFFFAOYSA-N;140.23;1.97;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC4_Nda";;;;;;;2.2;;0.49;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM413254;MM413254;CC#CC(F)C(CN)OC;HQQRPTZMZBSEFD-UHFFFAOYSA-N;145.18;0.32;;;;;DOPC;MDCG;27;1;"MARTINI bead: P2_C5";;;;;;;0.54;;-3.03;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM413255;MM413255;C=C1CN=C(C=O)NC1=C;QSOVDVLFHCPIMZ-UHFFFAOYSA-N;136.15;0.26;;;;;DOPC;MDCG;27;0;"MARTINI bead: SN0_SP1";;;;;;;0.34;;-1.53;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM413256;MM413256;C#CC=C1C=C(C#N)OC1;RUJDXNMQZLONNZ-UHFFFAOYSA-N;131.13;0.98;;;;;DOPC;MDCG;27;0;"MARTINI bead: SN0_SNa";;;;;;;1.17;;-1.18;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM413257;MM413257;FCC=NOCC1CO1;VEAYQDKMJVAPMC-UHFFFAOYSA-N;133.12;0.36;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_SNa";;;;;;;0.04;;-2.54;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM413258;MM413258;C#CC12CC1CN(CC)C2;MGCXAZFQBNTHFS-UHFFFAOYSA-N;135.21;0.96;;;;;DOPC;MDCG;27;1;"MARTINI bead: SNd_SP1";;;;;;;0.04;;-4.93;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM413259;MM413259;N#CC(=CF)CCCCF;OXLVKYQOKKWQKB-UHFFFAOYSA-N;145.15;2.5;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4_Na";;;;;;;2.2;;0.34;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM413260;MM413260;CC#CC(F)C(CO)OC;QRSPLDGQVOJNBL-UHFFFAOYSA-N;146.16;0.36;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_C5";;;;;;;0.54;;-1.09;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM413261;MM413261;N=c1c(F)n[nH]n1O;KOPCOFFOZXQMLY-UHFFFAOYSA-N;118.07;-0.93;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP2_SP2";;;;;;;-1.34;;-9.12;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM413262;MM413262;C#CC=C1C=C(C=C)CO1;CWGXHDZAHOLKAV-UHFFFAOYSA-N;132.16;1.65;;;;;DOPC;MDCG;27;0;"MARTINI bead: SN0_SN0";;;;;;;1.47;;-0.05;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM413263;MM413263;C#CC12CC(CN)CC1N2;HFGDJPBFAUZUPU-UHFFFAOYSA-N;136.2;-0.3;;;;;DOPC;MDCG;27;1;"MARTINI bead: SC5_SNd";;;;;;;1.64;;-2.71;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM413264;MM413264;C#Cc1noc(C=O)c1C;FAOVVXPCFGICBH-UHFFFAOYSA-N;135.12;0.78;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNa_SNa";;;;;;;0.87;;-2.22;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM413265;MM413265;CC#CC(C)C(OC)OC;UBJTVUROLHGVRZ-UHFFFAOYSA-N;142.2;1.26;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_C3";;;;;;;1.74;;0.29;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM413266;MM413266;C=CC(=CC)CCCNC;XHNXQHKBDSCXIF-UHFFFAOYSA-N;139.24;2.12;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_C1";;;;;;;2.91;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM413267;MM413267;C=CC1=CCC(=C)C(=C)O1;BKYQESGPFKFZOB-UHFFFAOYSA-N;134.18;2.55;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC5_SC4";;;;;;;2.97;;0.45;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM413268;MM413268;C#CC=C1C=C(C=O)CO1;QUUGSTKXXYHWSY-UHFFFAOYSA-N;134.13;0.66;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP1_SN0";;;;;;;0.34;;-1.53;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM413269;MM413269;C#CC12CC(NC)CC1N2;PYRKVEWTOPIOQH-UHFFFAOYSA-N;136.2;-0.29;;;;;DOPC;MDCG;27;1;"MARTINI bead: SNd_SNd";;;;;;;0.87;;-4.83;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM413270;MM413270;C#Cc1noc(C#N)c1C;LYVFSIUQOOICCN-UHFFFAOYSA-N;132.12;0.84;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNa_SN0";;;;;;;1.17;;-1.18;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM413271;MM413271;CC#CC(F)C(OC)OC;YDKIPUPKMCUOGK-UHFFFAOYSA-N;146.16;0.97;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_C5";;;;;;;0.81;;-0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM413272;MM413272;C=C1CC=C(C=O)OC1=C;OKKYPFQTHXFNEI-UHFFFAOYSA-N;136.15;1.56;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC4_SNa";;;;;;;2.2;;0.34;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM413273;MM413273;C=CC(=CF)CCCNC;UYHNYIYUKKRJMW-UHFFFAOYSA-N;143.21;2.03;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_C4";;;;;;;2.2;;-2.58;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM413274;MM413274;C#CC=C1C=C(C#N)CO1;ODEHJYZCYZBTIQ-UHFFFAOYSA-N;131.13;0.98;;;;;DOPC;MDCG;27;0;"MARTINI bead: SN0_SP1";;;;;;;0.34;;-1.53;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM413275;MM413275;C#CC12CC(OC)CC1N2;YOWIAYDEWQGZJB-UHFFFAOYSA-N;137.18;0.14;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC5_SNd";;;;;;;1.64;;0.03;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM413276;MM413276;CC#CC(C)C(C#N)CC;UYSSRWNRTXLMQK-UHFFFAOYSA-N;135.21;2.2;;;;;DOPC;MDCG;27;0;"MARTINI bead: N0_C3";;;;;;;2.87;;0.37;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM413277;MM413277;CC=NN=CNC(C)(C)C;HLXHLRNHPGLKDY-UHFFFAOYSA-N;141.22;1.41;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_Nd";;;;;;;1.64;;0.02;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM413278;MM413278;C=CC1=CCC(=O)C(=C)O1;CATOSTDOQKAUOL-UHFFFAOYSA-N;136.15;1.56;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC5_SNa";;;;;;;1.64;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM413279;MM413279;CC=C(C=O)CCCNC;CBUWWGIMBCUKMZ-UHFFFAOYSA-N;141.21;1.13;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_Na";;;;;;;0.87;;-4.95;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM413280;MM413280;C#CC1=CC(=CCC)CC1;HLCATVYQTYRAHM-UHFFFAOYSA-N;132.21;2.68;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC2_SC5";;;;;;;3.6;;0.34;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM413281;MM413281;C#CC12CC(CC)CC1O2;XKSRLAIBAGWZAW-UHFFFAOYSA-N;136.19;1.58;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC1_SNa";;;;;;;2.91;;0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM413282;MM413282;C=CC(CN)C(C)C#CC;XLJMEMQDYJXHMQ-UHFFFAOYSA-N;137.23;1.41;;;;;DOPC;MDCG;27;1;"MARTINI bead: C3_Nd";;;;;;;2.57;;-1.46;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM413283;MM413283;C#Cc1noc(C=O)c1N;LNALWYHQICXZLC-UHFFFAOYSA-N;136.11;0.05;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNa_SNda";;;;;;;0.87;;-1.99;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM413284;MM413284;C=CC1=CCC(=C)C(=O)O1;JHGMDETXRRNNDF-UHFFFAOYSA-N;136.15;1.56;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC5_SNa";;;;;;;1.64;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM413285;MM413285;CNCCCC(C=O)=CF;OUVJMGVXEBBOFH-UHFFFAOYSA-N;145.18;1.04;;;;;DOPC;MDCG;27;1;"MARTINI bead: C5_P2";;;;;;;0.54;;-4.13;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM413286;MM413286;C#CC1=CC(=CCN)CC1;IXIIUQYYRDUUBF-UHFFFAOYSA-N;133.19;1.22;;;;;DOPC;MDCG;27;1;"MARTINI bead: SNd_SC5";;;;;;;1.64;;-2.13;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM413287;MM413287;C#CC12CC(CN)CC1O2;MOMDTPZKJLSYAD-UHFFFAOYSA-N;137.18;0.13;;;;;DOPC;MDCG;27;1;"MARTINI bead: SC5_SNa";;;;;;;1.64;;-2.73;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM413288;MM413288;C#Cc1noc(C#N)c1N;NNHBCVGXIHFWNG-UHFFFAOYSA-N;133.11;0.11;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNa_SP1";;;;;;;0.04;;-2.54;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM413289;MM413289;CC#CC(C)C(C#N)CO;XRVLQNDKBAXVDY-UHFFFAOYSA-N;137.18;0.78;;;;;DOPC;MDCG;27;0;"MARTINI bead: C3_P2";;;;;;;1.46;;-0.15;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM413291;MM413291;C=Cc1coc(=O)c(=O)o1;HDXALLVLOFWBPF-UHFFFAOYSA-N;140.09;0.24;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP1_SP1";;;;;;;-0.79;;-3.13;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM413290;MM413290;CNCCCC(C#N)=CF;XYUMTWCAUQFIQT-UHFFFAOYSA-N;142.18;1.36;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_Na";;;;;;;0.87;;-5.05;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM413292;MM413292;C#CC12CC(CO)CC1O2;GRDRPLXJYDWGTD-UHFFFAOYSA-N;138.17;0.16;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC5_SNa";;;;;;;1.64;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM413293;MM413293;C#CC1=CC(=CCO)CC1;MXAIUZKEMGURJF-UHFFFAOYSA-N;134.18;1.26;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNda_SC5";;;;;;;1.64;;0.05;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM413294;MM413294;C=CC(CF)C(C)C#CC;FIJPEKXMMANIRI-UHFFFAOYSA-N;140.2;2.42;;;;;DOPC;MDCG;27;0;"MARTINI bead: C3_C5";;;;;;;3.34;;0.48;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM413295;MM413295;C#Cc1noc(C=C)c1F;IRGXQIRFRLAJPU-UHFFFAOYSA-N;137.11;1.44;;;;;DOPC;MDCG;27;0;"MARTINI bead: SN0_SNa";;;;;;;1.17;;-1.18;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM413296;MM413296;O=Cc1coc(=O)c(=O)o1;SHLXNXVDVPYQMB-UHFFFAOYSA-N;142.07;-0.59;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP1_SP1";;;;;;;-0.79;;-3.13;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM413297;MM413297;C=CC(=CF)CCCOC;JCVIVXMIGIPGCH-UHFFFAOYSA-N;144.19;2.45;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_C2";;;;;;;2.83;;0.35;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM413298;MM413298;C#CC12CC(CF)CC1O2;XEOXPMCOHPACCD-UHFFFAOYSA-N;140.16;1.14;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC3_SNa";;;;;;;2.57;;0.45;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM413299;MM413299;C#CC1=CC(=CCC)CO1;MPIUGLATAKAHEA-UHFFFAOYSA-N;134.18;1.87;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC5_SNa";;;;;;;1.64;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM413300;MM413300;CC#CC(C)C(C=O)CF;CVHQHIHFSOTECK-UHFFFAOYSA-N;142.17;1.43;;;;;DOPC;MDCG;27;0;"MARTINI bead: C3_P1";;;;;;;1.74;;0.29;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM413301;MM413301;C#Cc1noc(C#N)c1F;QWAMQLIWVLCKQX-UHFFFAOYSA-N;136.09;0.67;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNa_SNa";;;;;;;0.87;;-2.22;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM413302;MM413302;N#Cc1coc(=O)c(=O)o1;GRGJSWTWMFBWAD-UHFFFAOYSA-N;139.07;-0.54;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP1_SP1";;;;;;;-0.79;;-3.13;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM413303;MM413303;CC=C(C=O)CCCOC;PTKLPIHZJZKJNT-UHFFFAOYSA-N;142.2;1.56;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_Na";;;;;;;0.87;;-2.22;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM413304;MM413304;C#CC1=CC(=CCN)CO1;HPLDRLXYACNMQS-UHFFFAOYSA-N;135.17;0.42;;;;;DOPC;MDCG;27;1;"MARTINI bead: SP1_SNa";;;;;;;0.04;;-4.76;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM413305;MM413305;C#CC12CC(NC)CC1O2;YGOOCLJJCMOYDM-UHFFFAOYSA-N;137.18;0.14;;;;;DOPC;MDCG;27;1;"MARTINI bead: SNd_SNa";;;;;;;0.87;;-4.68;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM413306;MM413306;C=CC(CC)C(N)C#CC;MCPWMDSHRLZPHO-UHFFFAOYSA-N;137.23;1.55;;;;;DOPC;MDCG;27;1;"MARTINI bead: C1_Nd";;;;;;;2.91;;0.25;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM413307;MM413307;C#CC1=CCC(C#C)=C1C;SYGHZJWGXLMARR-UHFFFAOYSA-N;128.17;1.9;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC5_SC5";;;;;;;2.41;;0.64;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM413308;MM413308;CC=C(C#N)CCCOC;OPTSUZPCLWWUKF-UHFFFAOYSA-N;139.2;1.88;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_C5";;;;;;;1.64;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM413309;MM413309;C=Cc1noc(=O)c(=O)o1;PQTOCQWTCOATNF-UHFFFAOYSA-N;141.08;-0.37;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP1_SP2";;;;;;;-1.06;;-3.82;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM413310;MM413310;C#CC1=CC(=CCO)CO1;RWJMVSQAYHYACT-UHFFFAOYSA-N;136.15;0.45;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNda_SNa";;;;;;;0.87;;-1.99;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM413311;MM413311;C#CC12CC(OC)CC1O2;FIKRERMGCJPDPZ-UHFFFAOYSA-N;138.17;0.57;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC5_SNa";;;;;;;1.64;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM413312;MM413312;C#Cc1c[nH]c(C#C)c1C;MCFSBHCUDJDCQO-UHFFFAOYSA-N;129.16;1.29;;;;;DOPC;MDCG;27;0;"MARTINI bead: SN0_SNd";;;;;;;1.17;;-1.04;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM413313;MM413313;C=CC(CO)C(N)C#CC;BJDGPPQJRVLMRT-UHFFFAOYSA-N;139.2;0.13;;;;;DOPC;MDCG;27;1;"MARTINI bead: N0_P2";;;;;;;0.06;;-3.6;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM413314;MM413314;O=Cc1noc(=O)c(=O)o1;CPJPKSFEDBICGF-UHFFFAOYSA-N;143.05;-1.2;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP2_SP2";;;;;;;-1.34;;-4.31;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM413315;MM413315;COCCCC(C=O)=CN;MABOFOXRQYYVOZ-UHFFFAOYSA-N;143.19;0.45;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_P1";;;;;;;0.04;;-2.54;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM413316;MM413316;C#CC1=CC(=NCC)NC1;GIVNGMDXIHEUEJ-UHFFFAOYSA-N;134.18;0.57;;;;;DOPC;MDCG;27;1;"MARTINI bead: SNd_SP1";;;;;;;0.04;;-4.73;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM413317;MM413317;C#CC12CC(CC)CN1C2;MJVMGJQYWGYGGV-UHFFFAOYSA-N;135.21;1.1;;;;;DOPC;MDCG;27;0;"MARTINI bead: SN0_SNd";;;;;;;1.17;;-1.04;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM413318;MM413318;C=CC(CC)C(O)C#CC;PKMADHUMHOQWLE-UHFFFAOYSA-N;138.21;1.58;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1_Nda";;;;;;;2.91;;0.57;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM413319;MM413319;C#Cc1c[nH]c(C#C)c1N;VERCLEYOIOAADG-UHFFFAOYSA-N;130.15;0.56;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNd_SNd";;;;;;;0.87;;-2.11;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM413320;MM413320;COCCCC(C=O)=CF;DKNAXAKFKWRJGV-UHFFFAOYSA-N;146.16;1.47;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_Na";;;;;;;0.87;;-2.22;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM413321;MM413321;N#Cc1noc(=O)c(=O)o1;NEEZCJUZYPGTTG-UHFFFAOYSA-N;140.05;-1.14;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP2_SP2";;;;;;;-1.34;;-4.31;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM413322;MM413322;C=C(C=CC)COC=NN;NAXZCCRBGBBAAQ-UHFFFAOYSA-N;140.19;1.04;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1_P1";;;;;;;2.08;;0.48;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM413323;MM413323;C#Cc1c[nH]c(C#C)c1F;VVMRFGLWBCZVCX-UHFFFAOYSA-N;133.13;1.12;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNa_SNd";;;;;;;0.87;;-1.88;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM413324;MM413324;C=CC1=CCC(C)(O)CC1;AJUWMYDPFFLDFN-UHFFFAOYSA-N;138.21;2.03;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC5_SC1";;;;;;;3.68;;0.46;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM413325;MM413325;CC#CC(O)C(C#N)CO;FXYSHJXILLCNIQ-UHFFFAOYSA-N;139.15;-0.5;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda_P2";;;;;;;-0.24;;-3.31;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM413326;MM413326;COCCCC(C#N)=CF;FMZMKQUVBZPZTI-UHFFFAOYSA-N;143.16;1.79;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_Na";;;;;;;0.87;;-2.22;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM413327;MM413327;C#CC1=CCC(=C)C(=C)C1;OWOXMPYQOPKMCL-UHFFFAOYSA-N;130.19;2.45;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC3_SC4";;;;;;;3.9;;0.47;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM413328;MM413328;CC#CC(C)COC=NN;NFNGYHDFWTWCDR-UHFFFAOYSA-N;140.19;0.56;;;;;DOPC;MDCG;27;0;"MARTINI bead: C3_P1";;;;;;;1.74;;0.29;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM413329;MM413329;C=CC(CC)C(F)C#CC;UJJMEMCZBOEWFY-UHFFFAOYSA-N;140.2;2.56;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1_C5";;;;;;;3.68;;0.46;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM413330;MM413330;C#Cc1coc(C#C)c1N;KZVKCNBOVMEELT-UHFFFAOYSA-N;131.13;0.82;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNd_SN0";;;;;;;1.17;;-1.04;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM413331;MM413331;C#CC12CC(NC)CN1C2;GZJKVNUOZMAJQM-UHFFFAOYSA-N;136.2;-0.33;;;;;DOPC;MDCG;27;1;"MARTINI bead: SP1_SNd";;;;;;;0.04;;-5.12;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM413332;MM413332;C=CC(=CC)CCNCC;RZHSCTWWWYPLAL-UHFFFAOYSA-N;139.24;2.12;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_C1";;;;;;;2.91;;-0.88;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM413333;MM413333;C#CC1=CC(=CCC)OC1;FDYCTJZAZKZYIM-UHFFFAOYSA-N;134.18;1.87;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC5_SN0";;;;;;;1.94;;0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM413334;MM413334;C#CC1=CCC(=O)C(=C)C1;FCFCBGRCDZWWOG-UHFFFAOYSA-N;132.16;1.47;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC4_SNa";;;;;;;2.2;;0.34;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM413335;MM413335;CC#CC(F)C(C#N)CC;OYGVJZPBULBPES-UHFFFAOYSA-N;139.17;1.9;;;;;DOPC;MDCG;27;0;"MARTINI bead: N0_C5";;;;;;;1.94;;0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM413336;MM413336;C#Cc1coc(C#C)c1F;FVXQBOQAMSHQJU-UHFFFAOYSA-N;134.11;1.38;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC5_SN0";;;;;;;1.94;;0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM413337;MM413337;C#CC12CC(C=C)CC1C2;NHPVSEVUMNUSGI-UHFFFAOYSA-N;132.21;2.22;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC2_SC4";;;;;;;4.16;;0.44;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM413338;MM413338;C#CC1=CC(=CC=C)CC1;HXFSGMPCKXRSCB-UHFFFAOYSA-N;130.19;2.45;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC4_SC5";;;;;;;2.97;;0.45;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM413339;MM413339;C=CC(=CF)CCNCC;ZCPMWRINBQNXRW-UHFFFAOYSA-N;143.21;2.03;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_C4";;;;;;;2.2;;-2.56;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM413340;MM413340;C#CC(C)(C)N=CNN=C;FRJVCHMUABTDTN-UHFFFAOYSA-N;137.19;0.63;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4_P2";;;;;;;1.09;;-0.38;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM413341;MM413341;C#Cc1coc(=O)c(=O)o1;DUQBZYQLIXICAW-UHFFFAOYSA-N;138.08;-0.43;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP1_SP1";;;;;;;-0.79;;-3.13;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM413342;MM413342;CC#CC(F)C(C#N)CO;NEYNVIPNBPWWLQ-UHFFFAOYSA-N;141.15;0.48;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_P2";;;;;;;0.54;;-1.09;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM413343;MM413343;C#CC12CC(C=O)CC1C2;BKPXLXJDKDYIOF-UHFFFAOYSA-N;134.18;1.23;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNa_SC4";;;;;;;2.2;;0.34;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM413344;MM413344;C#CC1=CC(=CC=O)CC1;RPGWOKCWSBBAAX-UHFFFAOYSA-N;132.16;1.47;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNa_SC5";;;;;;;1.64;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM413345;MM413345;CC=C(C=O)CCNCC;OQPLVSLNSZZPLE-UHFFFAOYSA-N;141.21;1.13;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_Na";;;;;;;0.87;;-4.73;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM413346;MM413346;CC#CC(F)C(C=O)CF;BJYBBEQCMJGOMU-UHFFFAOYSA-N;146.14;1.13;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_P1";;;;;;;0.81;;-0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM413347;MM413347;C#Cc1noc(=O)c(=O)o1;XWZFTAPSKMIDTM-UHFFFAOYSA-N;139.07;-1.03;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP2_SP2";;;;;;;-1.34;;-4.31;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM413348;MM413348;C#Cc1n[nH]c(C#C)c1F;BRAPVYDWJAQULJ-UHFFFAOYSA-N;134.11;0.51;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNda_SNda";;;;;;;0.87;;-2.07;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM413349;MM413349;C#CC12CC(C=C)NC1C2;IBPQMCLKXWDKPC-UHFFFAOYSA-N;133.19;0.93;;;;;DOPC;MDCG;27;1;"MARTINI bead: SNd_SN0";;;;;;;1.17;;-3.5;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM413350;MM413350;C#CC1=CC(=CC#N)CC1;WDBHHPZJYVLTII-UHFFFAOYSA-N;129.16;1.79;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC5_SC5";;;;;;;2.41;;0.64;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM413351;MM413351;C=CC(NC)C(C)C#CC;YQKRFTUKYDNZHE-UHFFFAOYSA-N;137.23;1.42;;;;;DOPC;MDCG;27;1;"MARTINI bead: C5_N0";;;;;;;1.94;;-0.88;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM413352;MM413352;CC=C(C#N)CCNCC;LNAUZBDICJUTHP-UHFFFAOYSA-N;138.21;1.46;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_C5";;;;;;;1.64;;-2.04;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM413353;MM413353;CCCC1=NC(=NN)N=C1;VWQFCKBKLARMOB-UHFFFAOYSA-N;138.17;0.54;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC5_SP1";;;;;;;0.81;;-0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM413354;MM413354;C#Cc1noc(C#C)c1C;GJLLNDSCNUVCBH-UHFFFAOYSA-N;131.13;0.95;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNa_SN0";;;;;;;1.17;;-1.18;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM413355;MM413355;C#CC12CC(C=O)NC1C2;IQQBYYXDPJJKGN-UHFFFAOYSA-N;135.17;-0.06;;;;;DOPC;MDCG;27;1;"MARTINI bead: SP1_SN0";;;;;;;0.34;;-2.73;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM413356;MM413356;CCNCCC(C=O)=CN;GKYVXKLVIYSCSW-UHFFFAOYSA-N;142.2;0.03;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_P2";;;;;;;-0.24;;-5.99;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM413357;MM413357;C=CC(NC)C(N)C#CC;RKDXTSQPPWFXRU-UHFFFAOYSA-N;138.21;0.11;;;;;DOPC;MDCG;27;1;"MARTINI bead: P2_N0";;;;;;;0.06;;-3.79;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM413358;MM413358;C#CCON=C(C)NN=C;SFHFSIBEPUXOMR-UHFFFAOYSA-N;139.16;0.17;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nd_Na";;;;;;;0.87;;-1.88;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM413359;MM413359;C=CCC1=NC(=NN)N=C1;SAAIXOAOBGBOQP-UHFFFAOYSA-N;136.16;0.32;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP1_SN0";;;;;;;0.34;;-1.53;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM413360;MM413360;CCCC(O)C1CC1(C)C;SGFLHOODCHVGAG-UHFFFAOYSA-N;142.24;2.19;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda_SC4";;;;;;;2.2;;0.49;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM413361;MM413361;C#CC12CC(C#N)NC1C2;QNAJPJFSKNDCIJ-UHFFFAOYSA-N;132.17;0.26;;;;;DOPC;MDCG;27;0;"MARTINI bead: SN0_SP1";;;;;;;0.34;;-1.53;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM413362;MM413362;C#CC1=CC(=CC=C)CO1;HVMYRKSINATWDB-UHFFFAOYSA-N;132.16;1.65;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC5_SNa";;;;;;;1.64;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM413363;MM413363;CCNCCC(C=O)=CF;XVTCKHOYGNQYSB-UHFFFAOYSA-N;145.18;1.04;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_Na";;;;;;;0.87;;-4.72;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM413364;MM413364;C#CC#CC(C#C)ON=C;QLVYZMPDOFMGBA-UHFFFAOYSA-N;131.13;0.26;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_N0";;;;;;;1.17;;-1.18;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM413365;MM413365;C#Cc1noc(C#C)c1F;YDBMCDIVHYCVBO-UHFFFAOYSA-N;135.1;0.78;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNa_SNa";;;;;;;0.87;;-2.22;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM413366;MM413366;O=C(O)C1NC1CF;FYNHFIFNTSARNK-UHFFFAOYSA-N;119.1;-0.62;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_SP1";;;;;;;-0.79;;-8.1;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM413367;MM413367;C#CC12CC(C=C)OC1C2;GXQXWVJIVPYRDF-UHFFFAOYSA-N;134.18;1.35;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNa_SN0";;;;;;;1.17;;-1.18;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM413368;MM413368;C#CC1=CC(=NN=C)CO1;UOYRAWYSUXDZFK-UHFFFAOYSA-N;134.14;0.59;;;;;DOPC;MDCG;27;0;"MARTINI bead: SN0_SNa";;;;;;;1.17;;-1.18;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM413369;MM413369;CCNCCC(C#N)=CF;DIUYJNMIQISSPY-UHFFFAOYSA-N;142.18;1.36;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_Na";;;;;;;0.87;;-4;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM413370;MM413370;C=CC(OC)C(F)C#CC;BOBGIKJZBJSHPD-UHFFFAOYSA-N;142.17;1.55;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_C5";;;;;;;1.64;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM413371;MM413371;CCC(N)=C(CO)C(=O)O;XUWHGJUWMZKUFP-UHFFFAOYSA-N;145.16;-0.31;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_P3";;;;;;;-0.33;;-6.19;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM413372;MM413372;CCCC1CCC(F)C1C;QUKPNGZOMBMMNR-UHFFFAOYSA-N;144.23;3.17;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC1_SC4";;;;;;;4.24;;0.42;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM413373;MM413373;C#CC12CC1CC(C=C)N2;PFTJZLZPFLTIBI-UHFFFAOYSA-N;133.19;0.93;;;;;DOPC;MDCG;27;1;"MARTINI bead: SN0_SNd";;;;;;;1.17;;-2.89;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM413374;MM413374;C=CC(=CC)CCOCC;YQSJYLDTYYUBAX-UHFFFAOYSA-N;140.23;2.55;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_C1";;;;;;;2.91;;0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM413375;MM413375;CC#CC(C)N(C=N)CC;WCAPJTDTHXLATK-UHFFFAOYSA-N;138.21;1.33;;;;;DOPC;MDCG;27;1;"MARTINI bead: P2_C3";;;;;;;1.46;;-2.53;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM413376;MM413376;C#CC1=CC(NC=N)=NC1;XJRLZQVSPVWKMA-UHFFFAOYSA-N;133.15;0.15;;;;;DOPC;MDCG;27;1;"MARTINI bead: SP1_SN0";;;;;;;0.34;;-2.91;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM413377;MM413377;C=Cn1[nH]nc(F)c1=O;ORHNIRSETGJUPM-UHFFFAOYSA-N;129.09;-0.19;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP1_SP2";;;;;;;-1.06;;-8.62;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM413378;MM413378;C#CC12CC1CC(C#N)N2;UNKXCQRRIPKIOD-UHFFFAOYSA-N;132.17;0.26;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNd_SP1";;;;;;;0.04;;-2.63;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM413379;MM413379;C#CCC1CCC(N)C1C;INUKWWBLUWLNRY-UHFFFAOYSA-N;137.23;1.38;;;;;DOPC;MDCG;27;1;"MARTINI bead: SNd_SC2";;;;;;;2.83;;-1.01;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM413380;MM413380;C=CC(=CF)CCOCC;RMKGZGIJNGNPCX-UHFFFAOYSA-N;144.19;2.45;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_C2";;;;;;;2.83;;0.35;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM413381;MM413381;CCC=C(F)COC=NN;RJTZSRJAKQTWBT-UHFFFAOYSA-N;146.17;1.17;;;;;DOPC;MDCG;27;0;"MARTINI bead: C3_P1";;;;;;;1.74;;0.29;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM413382;MM413382;CC#CC(C)N(C=O)CC;DKFNZLKMPRZMPX-UHFFFAOYSA-N;139.2;0.88;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_C3";;;;;;;1.74;;0.29;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM413383;MM413383;C#CC12CC1CC(C=C)O2;SGGOWBDXOPBTIO-UHFFFAOYSA-N;134.18;1.35;;;;;DOPC;MDCG;27;0;"MARTINI bead: SN0_SNa";;;;;;;1.17;;-1.18;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM413384;MM413384;O=C(O)n1ncncc1=O;FDQAYUDZDBJHAA-UHFFFAOYSA-N;141.09;-0.84;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP4_SP2";;;;;;;-2.29;;-9.62;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM413385;MM413385;C#CCC1CCN(C)C1C;HHNIWPAZGOOHJS-UHFFFAOYSA-N;137.23;1.35;;;;;DOPC;MDCG;27;1;"MARTINI bead: SN0_SNd";;;;;;;1.17;;-3.93;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM413386;MM413386;CC=C(C=O)CCOCC;FWNAHUZSEFPJEV-UHFFFAOYSA-N;142.2;1.56;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_Na";;;;;;;0.87;;-2.22;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM413387;MM413387;COC=C(C)COC=NN;PSRWXASAAUNBKW-UHFFFAOYSA-N;144.17;0.46;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_P1";;;;;;;0.81;;-0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM413388;MM413388;C=NN(CC)C(C)C#CC;VTYHQTBQLPOVQL-UHFFFAOYSA-N;138.21;1.34;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_C3";;;;;;;1.74;;0.29;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM413389;MM413389;C=COC(C(=O)O)C(=O)O;ACMROQVODBTKDN-UHFFFAOYSA-N;146.1;-0.32;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_Nda";;;;;;;0.04;;-7.65;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM413390;MM413390;C#CC12CC1CC(C=O)O2;GJZNSGUUMOXRHZ-UHFFFAOYSA-N;136.15;0.37;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP1_SNa";;;;;;;0.04;;-2.54;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM413391;MM413391;C=CCC1CCC(=C)C1C;LZLSINXCBDNUIY-UHFFFAOYSA-N;136.24;3.16;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC1_SC3";;;;;;;4.61;;0.31;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM413392;MM413392;CC=C(C#N)CCOCC;AQTMIGWKJULXIS-UHFFFAOYSA-N;139.2;1.88;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_C5";;;;;;;1.64;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM413393;MM413393;COC=C(F)COC=NN;DTNRMDOCXKBRPM-UHFFFAOYSA-N;148.14;0.36;;;;;DOPC;MDCG;27;0;"MARTINI bead: N0_P1";;;;;;;0.34;;-1.53;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM413394;MM413394;C#CC12CC1CC(C#N)O2;FLMMVZIXDPPUEW-UHFFFAOYSA-N;133.15;0.69;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP1_SP1";;;;;;;-0.79;;-3.13;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM413395;MM413395;CC#CC(C)N(C=O)NC;XPYWXFWYFOSWFW-UHFFFAOYSA-N;140.19;-0.01;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_N0";;;;;;;0.06;;-2.21;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM413396;MM413396;N=c1onc(O)c(=O)n1O;NAJALADNVWWFSP-UHFFFAOYSA-N;145.07;-1.74;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP2_SP3";;;;;;;-2.2;;-9.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM413397;MM413397;C=CCC1CNC(=N)C1C;XAWXVOSKBOTLDW-UHFFFAOYSA-N;138.21;1.4;;;;;DOPC;MDCG;27;1;"MARTINI bead: SC5_SNd";;;;;;;1.64;;-4.87;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM413398;MM413398;C#CC=C(C)COC=NN;IRFOPHFVDVAZPB-UHFFFAOYSA-N;138.17;0.48;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4_P1";;;;;;;1.37;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM413399;MM413399;CCOCCC(C=O)=CF;RHCFDBLJJSQNAZ-UHFFFAOYSA-N;146.16;1.47;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_Na";;;;;;;0.87;;-2.22;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM413400;MM413400;C#CC(CC)C(C)C#CC;BSHOWFIPNLNOPI-UHFFFAOYSA-N;134.22;2.31;;;;;DOPC;MDCG;27;0;"MARTINI bead: C3_C3";;;;;;;4.27;;0.2;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM413401;MM413401;C#CC12CC1OC(C#N)O2;YEOSXNGUATTZNY-UHFFFAOYSA-N;135.12;0.03;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP1_SP1";;;;;;;-0.79;;-3.13;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM413402;MM413402;N#CC#Cc1nnc(O)o1;PAVVBNFMTQSWMT-UHFFFAOYSA-N;135.08;-0.35;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP1_SP1";;;;;;;-0.79;;-8.11;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM413403;MM413403;CC1C(=N)NCC1CC#N;LFCNAIOVCUACKA-UHFFFAOYSA-N;137.19;0.73;;;;;DOPC;MDCG;27;1;"MARTINI bead: SP1_SNd";;;;;;;0.04;;-7.49;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM413404;MM413404;C#CC1=CC(=CC=C)OC1;IASSCEFUXHUCQV-UHFFFAOYSA-N;132.16;1.65;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC5_SN0";;;;;;;1.94;;0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM413405;MM413405;CCOCCC(C#N)=CF;IKPMIFMMWGCIFS-UHFFFAOYSA-N;143.16;1.79;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_Na";;;;;;;0.87;;-2.22;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM413406;MM413406;C#CC12CC1CN(C=N)C2;JCPCMGFGQMPUJS-UHFFFAOYSA-N;134.18;0.55;;;;;DOPC;MDCG;27;1;"MARTINI bead: SP1_SP1";;;;;;;-0.79;;-6.92;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM413407;MM413407;C#CC(CC)C(N)C#CC;TVPYNTGTSUUTOV-UHFFFAOYSA-N;135.21;1;;;;;DOPC;MDCG;27;1;"MARTINI bead: C3_Nd";;;;;;;2.57;;-0.24;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM413408;MM413408;N#CC(=CCC(=O)O)CO;PNCVFMPKXIVPFX-UHFFFAOYSA-N;141.13;-0.1;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_P1";;;;;;;-0.79;;-8.11;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM413409;MM413409;C=CCC1CNC(=N)C1N;LAUMAOUWCFJGEG-UHFFFAOYSA-N;139.2;0.09;;;;;DOPC;MDCG;27;1;"MARTINI bead: SC5_SP2";;;;;;;0.54;;-4.66;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM413410;MM413410;C#CC1=CC(=NN=C)OC1;FBOYTQQXQRBTKP-UHFFFAOYSA-N;134.14;0.59;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNa_SN0";;;;;;;1.17;;-1.18;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM413411;MM413411;C=CC(CCCCC)=NN;CBJMKVXREXVPDV-UHFFFAOYSA-N;140.23;2.07;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1_C5";;;;;;;3.68;;0.46;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM413412;MM413412;C#CC12CC1CN(C=O)C2;IHPMQMPOHRSDOV-UHFFFAOYSA-N;135.17;0.1;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP1_SP1";;;;;;;-0.79;;-3.13;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM413413;MM413413;C#CC(CF)C(N)C#CC;MGMSDBREHZGDBI-UHFFFAOYSA-N;139.17;0.56;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_Na";;;;;;;0.87;;-3.27;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM413414;MM413414;O=C(O)C(=O)C=NO;XCEZMHILWMUKQY-UHFFFAOYSA-N;117.06;-0.9;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_P1";;;;;;;-0.79;;-8.11;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM413415;MM413415;C#CCC1CCC(=C)C1C;MRGIJWKWWIUPOB-UHFFFAOYSA-N;134.22;2.61;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC2_SC3";;;;;;;4.53;;0.32;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM413416;MM413416;C#CC=C1C=C(C#C)CC1;QLLCNUSHLNTIDX-UHFFFAOYSA-N;128.17;1.9;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC4_SC5";;;;;;;2.97;;0.45;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM413417;MM413417;C#CC12CC1CN(N=C)C2;RDOXFZHQFFDICY-UHFFFAOYSA-N;134.18;0.56;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP1_SP1";;;;;;;-0.79;;-3.13;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM413418;MM413418;CC(C)C(O)CCCC#N;WFGCVQNLRBTOTM-UHFFFAOYSA-N;141.21;1.7;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda_N0";;;;;;;1.17;;-1.13;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM413419;MM413419;C#CC(CF)C(O)C#CC;VAYHBRBHSODEEQ-UHFFFAOYSA-N;140.16;0.59;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda_Na";;;;;;;0.87;;-1.99;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM413420;MM413420;O=c1o[nH]c(=NO)oc1=O;QPZXQQCRFDUREO-UHFFFAOYSA-N;146.06;-1.79;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP2_SP2";;;;;;;-1.34;;-9.13;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM413421;MM413421;C#CCC1CCC(=O)C1C;IQYHVWCCXOAKAT-UHFFFAOYSA-N;136.19;1.62;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC2_SNa";;;;;;;2.83;;0.35;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM413422;MM413422;C#CC12CC1ON(C=O)C2;FEOYEGFUZUYMDM-UHFFFAOYSA-N;137.14;-0.22;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP2_SP1";;;;;;;-1.06;;-3.82;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM413423;MM413423;C#CC=C1C=C(C#C)OC1;PCSHKJFSWYPLGF-UHFFFAOYSA-N;130.15;1.09;;;;;DOPC;MDCG;27;0;"MARTINI bead: SN0_SNa";;;;;;;1.17;;-1.18;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM413424;MM413424;C=CC(CCCCN)=NO;ULBUQWBJCQCNCT-UHFFFAOYSA-N;142.2;1.13;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_Nda";;;;;;;0.87;;-4.68;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM413425;MM413425;C#CC(CC)C(F)C#CC;LDDJKAROUJFWLY-UHFFFAOYSA-N;138.19;2.01;;;;;DOPC;MDCG;27;0;"MARTINI bead: C3_C5";;;;;;;3.34;;0.48;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM413426;MM413426;C=NNC(CC#N)C(=O)O;DWXIEBYZGYRXSL-UHFFFAOYSA-N;141.13;-0.44;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_P1";;;;;;;-0.79;;-8.11;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM413427;MM413427;C#CCC1CNC(=N)C1O;VLDHCINPBBLWCW-UHFFFAOYSA-N;138.17;-0.43;;;;;DOPC;MDCG;27;1;"MARTINI bead: SN0_SP2";;;;;;;0.06;;-5.75;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM413428;MM413428;C#CC12CC1CN(C=N)N2;DZXPMDKKGBMFLY-UHFFFAOYSA-N;135.17;-0.19;;;;;DOPC;MDCG;27;1;"MARTINI bead: SP3_SP2";;;;;;;-2.2;;-7.45;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM413429;MM413429;C#CC=C1C=C(C#C)CO1;ZKHAMLWRPOBHRG-UHFFFAOYSA-N;130.15;1.09;;;;;DOPC;MDCG;27;0;"MARTINI bead: SN0_SN0";;;;;;;1.47;;-0.05;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM413430;MM413430;C=CC(CCCCF)=NO;DMGGYGIBLBPXIZ-UHFFFAOYSA-N;145.18;2.14;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda_C4";;;;;;;2.2;;0.49;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM413431;MM413431;C#CC(CN)C(F)C#CC;MIYMDQKSERIBDM-UHFFFAOYSA-N;139.17;0.56;;;;;DOPC;MDCG;27;1;"MARTINI bead: C5_Nd";;;;;;;1.64;;-2.25;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM413432;MM413432;N=c1cc(O)oc(=O)nn1;PXRYSQZGCIEDDJ-UHFFFAOYSA-N;141.09;-1.39;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP3_SP2";;;;;;;-2.2;;-9.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM413433;MM413433;C#CCC1COC(=C)C1C;OQICBRAGZUGJLG-UHFFFAOYSA-N;136.19;1.81;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC5_SC5";;;;;;;2.41;;0.64;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM413434;MM413434;CCCC1C=CC(CC)=C1;DAJLFZJTLVSGGE-UHFFFAOYSA-N;136.24;3.31;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC2_SC3";;;;;;;4.53;;0.32;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM413435;MM413435;C#CC12CC1CN(C=O)N2;UJHRSBJEUDNHHK-UHFFFAOYSA-N;136.15;-0.65;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP2_SP2";;;;;;;-1.34;;-4.31;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM413436;MM413436;C=NNC=CC(=O)C(C)C;WJDVTZKSVIXQOB-UHFFFAOYSA-N;140.19;0.93;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_Nd";;;;;;;0.87;;-1.88;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM413437;MM413437;C#CCC1NCC(=C)C1C;UFYLRBKSECBFCF-UHFFFAOYSA-N;135.21;1.17;;;;;DOPC;MDCG;27;1;"MARTINI bead: SNd_SP1";;;;;;;0.04;;-5.49;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM413438;MM413438;CC=COC(=O)C(=O)O;PQZYHLUZJFRZEW-UHFFFAOYSA-N;130.1;0.15;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_P1";;;;;;;0.81;;-5.42;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM413439;MM413439;C#CC(CO)C(F)C#CC;RZJGXPJVBCUZFJ-UHFFFAOYSA-N;140.16;0.59;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_Nda";;;;;;;1.64;;0.05;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM413440;MM413440;CCCC1C=CC(CN)=C1;IXJYXBFOUAXXAO-UHFFFAOYSA-N;137.23;1.86;;;;;DOPC;MDCG;27;1;"MARTINI bead: SC2_SNd";;;;;;;2.83;;-0.21;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM413441;MM413441;C#CC12CC1CN(C=O)O2;USYYVPIPTFLZFC-UHFFFAOYSA-N;137.14;-0.22;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP2_SP1";;;;;;;-1.06;;-3.82;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM413442;MM413442;C#CC#Cc1cc(O)[nH]n1;WTQDHDGHUOHHNA-UHFFFAOYSA-N;132.12;0.1;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP1_SC5";;;;;;;0.81;;-5.18;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM413443;MM413443;C#CC(NC)C(C)C#CC;CMFMEAGWOUCKRA-UHFFFAOYSA-N;135.21;0.87;;;;;DOPC;MDCG;27;1;"MARTINI bead: P2_C3";;;;;;;1.46;;-1.61;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM413444;MM413444;CC1CC(O)C(C)C1(C)C;QPYLGZYDEKEZDI-UHFFFAOYSA-N;142.24;2.05;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNda_SC1";;;;;;;2.91;;0.57;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM413445;MM413445;Cc1[nH]n(O)c(=O)c1F;GLZZURDQPSLMAJ-UHFFFAOYSA-N;132.09;-0.14;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP2_SNa";;;;;;;-0.24;;-8.09;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM413446;MM413446;NCCC1C=CC(CN)=C1;HDYFAJNCIDKRJU-UHFFFAOYSA-N;138.21;0.41;;;;;DOPC;MDCG;27;1;"MARTINI bead: SNd_SNd";;;;;;;0.87;;-4.99;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM413447;MM413447;C#CC12CN(C=N)CC1N2;GFSYRUBIZGTIPH-UHFFFAOYSA-N;135.17;-0.75;;;;;DOPC;MDCG;27;1;"MARTINI bead: SP1_SP2";;;;;;;-1.06;;-6.92;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM413448;MM413448;C=CC(CCOCC)=NN;OCNDCDRJUDLXFD-UHFFFAOYSA-N;142.2;0.91;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_C5";;;;;;;1.64;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM413449;MM413449;C#CC(OC)C(O)C#CC;IDDJBHSSEDAUDA-UHFFFAOYSA-N;138.17;0.02;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_Nda";;;;;;;0.87;;-1.99;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM413450;MM413450;N#CCC(=CC(=O)O)CO;DNFKPJPKVRSCQR-UHFFFAOYSA-N;141.13;-0.1;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_P1";;;;;;;-0.79;;-8.12;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM413451;MM413451;C=C1C(=O)CCC1CC#N;KWOOBTMSWKYRMD-UHFFFAOYSA-N;135.17;1.44;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC4_SNa";;;;;;;2.2;;0.34;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM413452;MM413452;CCCC1C=CC(CO)=C1;LRYUYWLNMVKWGH-UHFFFAOYSA-N;138.21;1.89;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC2_SNda";;;;;;;2.83;;0.57;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM413453;MM413453;C#CC12CN(C=O)CC1N2;VRYNBGCOKLYQNC-UHFFFAOYSA-N;136.15;-1.2;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP1_SP2";;;;;;;-1.06;;-3.82;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM413454;MM413454;C=CC(CCOCC)=NO;VLWRSRMVTNVJTH-UHFFFAOYSA-N;143.19;1.43;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_Nda";;;;;;;0.87;;-1.99;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM413455;MM413455;C#CC(OC)C(F)C#CC;LHWPCUZLZGYOMH-UHFFFAOYSA-N;140.16;1;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_C5";;;;;;;1.64;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM413456;MM413456;Nc1nnn[nH]c(=O)c1=O;UJSGBGTWAUHMEY-UHFFFAOYSA-N;141.09;-2.5;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP3_SP3";;;;;;;-3.07;;-10.22;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM413457;MM413457;C#CCC1CCC(=C)C1=C;DWTQOEMDTKMNDR-UHFFFAOYSA-N;132.21;2.53;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC4_SC2";;;;;;;4.16;;0.44;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM413458;MM413458;NCCC1C=CC(CO)=C1;ZJEJGQKIHUFIQE-UHFFFAOYSA-N;139.2;0.44;;;;;DOPC;MDCG;27;1;"MARTINI bead: SNd_SNda";;;;;;;0.87;;-4.69;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM413459;MM413459;C#CC12CN(C=N)CC1O2;CCKDONJEKLMLBL-UHFFFAOYSA-N;136.15;-0.32;;;;;DOPC;MDCG;27;1;"MARTINI bead: SP1_SP2";;;;;;;-1.06;;-6.37;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM413460;MM413460;C=CC(=CC)CNCCC;PSQFUOCULBUIQJ-UHFFFAOYSA-N;139.24;2.12;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_C1";;;;;;;2.91;;-0.34;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM413461;MM413461;C=CC(C=C)C(C)C#CC;ORXKVYZVKDXRHY-UHFFFAOYSA-N;134.22;2.63;;;;;DOPC;MDCG;27;0;"MARTINI bead: C3_C2";;;;;;;4.53;;0.32;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM413462;MM413462;NNC(=O)C=C(N)C(=O)O;XRMCDHTXKBYYNN-UHFFFAOYSA-N;145.12;-2.1;;;;;DOPC;MDCG;27;0;"MARTINI bead: P4_P1";;;;;;;-2.01;;-9.05;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM413463;MM413463;C#CC12CN(C=O)CC1O2;KVMNLKALXSWSBL-UHFFFAOYSA-N;137.14;-0.77;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP1_SP2";;;;;;;-1.06;;-3.82;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM413464;MM413464;CCCC1C=CC(CF)=C1;LBCJMWZSJDGTTH-UHFFFAOYSA-N;140.2;2.87;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC2_SC5";;;;;;;3.6;;0.34;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM413465;MM413465;C=C1CCC(C=CC)C1C;BLLKMFHTTVLVAN-UHFFFAOYSA-N;136.24;3.16;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC1_SC3";;;;;;;4.61;;0.31;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM413466;MM413466;C=CC(=CC)CNCCO;MMXHRDYTZQZSNA-UHFFFAOYSA-N;141.21;0.7;;;;;DOPC;MDCG;27;1;"MARTINI bead: C1_P3";;;;;;;0.94;;-1.61;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM413467;MM413467;C=CC(C=O)C(C)C#CC;JICHUEQLKAFGGG-UHFFFAOYSA-N;136.19;1.65;;;;;DOPC;MDCG;27;0;"MARTINI bead: C3_Na";;;;;;;2.57;;0.45;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM413468;MM413468;CNc1cnc(F)c(=O)[nH]1;AYYBJPNCDXBKDN-UHFFFAOYSA-N;143.12;-0.05;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNd_SP2";;;;;;;-0.24;;-3.16;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM413469;MM413469;C#CC12CN(N=C)CC1O2;VDKRAIFHRHYQMV-UHFFFAOYSA-N;136.15;-0.31;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP1_SP2";;;;;;;-1.06;;-3.82;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM413470;MM413470;CC=Cn1onc(N)c1=O;QWOPPQAPDUGYHW-UHFFFAOYSA-N;141.13;-0.09;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP1_SP1";;;;;;;-0.79;;-3.13;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM413471;MM413471;NCCC1C=CC(CF)=C1;GPYDOHANUTUXRO-UHFFFAOYSA-N;141.19;1.42;;;;;DOPC;MDCG;27;1;"MARTINI bead: SNd_SC5";;;;;;;1.64;;-2.67;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM413472;MM413472;C=CC(=CF)CNCCC;DAJUVQFWHJWBFA-UHFFFAOYSA-N;143.21;2.03;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_C4";;;;;;;2.2;;-1.54;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM413473;MM413473;C=CC(C#N)C(C)C#CC;KSLKSZPGITWYTO-UHFFFAOYSA-N;133.19;1.97;;;;;DOPC;MDCG;27;0;"MARTINI bead: C3_N0";;;;;;;2.87;;0.37;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM413474;MM413474;CC1=C(C#N)C=NC1=CO;KQHPOCMTULOFFQ-UHFFFAOYSA-N;134.14;1.31;;;;;DOPC;MDCG;27;0;"MARTINI bead: SN0_SNda";;;;;;;1.17;;-6.13;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM413475;MM413475;CNCC1C=CC(CN)=C1;NMHYPECFKBFQGC-UHFFFAOYSA-N;138.21;0.28;;;;;DOPC;MDCG;27;1;"MARTINI bead: SNd_SNd";;;;;;;0.87;;-5.25;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM413476;MM413476;CCC#CC(=O)ON=CN;MVEAHACLFPNLEO-UHFFFAOYSA-N;140.14;-0.16;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_P2";;;;;;;0.54;;-1.09;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM413477;MM413477;N=c1c(O)non1N;HICFZLNYOSDFPA-UHFFFAOYSA-N;116.08;-1.63;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP3_SP1";;;;;;;-1.93;;-9.09;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM413478;MM413478;CC=C(C=O)CNCCC;NPZIABUIMIEONA-UHFFFAOYSA-N;141.21;1.13;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_Na";;;;;;;0.87;;-3.82;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM413479;MM413479;O=Cc1nc(=O)n(O)[nH]1;PNDBLOOFTABGCC-UHFFFAOYSA-N;129.08;-1.38;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP5_SP2";;;;;;;-2.22;;-9.64;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM413480;MM413480;C=CC(C=C)C(N)C#CC;LQHFNACFRLCXQD-UHFFFAOYSA-N;135.21;1.33;;;;;DOPC;MDCG;27;1;"MARTINI bead: N0_Nd";;;;;;;1.17;;-2.77;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM413481;MM413481;C#CC1CC2CC2(C#C)C1;DGGBOGUORMCWDO-UHFFFAOYSA-N;130.19;1.67;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC4_SC4";;;;;;;3.53;;0.53;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM413482;MM413482;N#CC(=NO)C(O)C(=O)O;JSALKRUGOKFBAP-UHFFFAOYSA-N;144.09;-1.21;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_P2";;;;;;;-1.34;;-9.58;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM413483;MM413483;CNCC1C=CC(CO)=C1;XCDAPCAWQAUJCU-UHFFFAOYSA-N;139.2;0.31;;;;;DOPC;MDCG;27;1;"MARTINI bead: SNd_SNda";;;;;;;0.87;;-4.99;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM413484;MM413484;CC=C(C#N)CNCCF;OCLKGUCJSAXWLZ-UHFFFAOYSA-N;142.18;1.02;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_P2";;;;;;;0.54;;-1.09;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM413485;MM413485;C=CC(C=O)C(O)C#CC;LXBDAYJTJNKJIT-UHFFFAOYSA-N;138.17;0.37;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda_Na";;;;;;;0.87;;-1.99;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM413486;MM413486;CCONC(=O)C(=O)O;NFCRHQSCNASTTG-UHFFFAOYSA-N;133.1;-0.86;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_P3";;;;;;;-0.33;;-6.2;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM413487;MM413487;C#CC1CC2(C#C)CC2N1;FWUWWZSYJAZGBL-UHFFFAOYSA-N;131.18;0.37;;;;;DOPC;MDCG;27;1;"MARTINI bead: SNd_SN0";;;;;;;1.17;;-2.96;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM413488;MM413488;CN=Cn1onc(N)c1=N;UZIUKGHQTZYTHE-UHFFFAOYSA-N;141.13;-0.96;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP3_SP1";;;;;;;-1.93;;-4.72;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM413489;MM413489;CNCC1C=CC(CF)=C1;UGBJFFRWKQDHRO-UHFFFAOYSA-N;141.19;1.29;;;;;DOPC;MDCG;27;1;"MARTINI bead: SNd_SC5";;;;;;;1.64;;-2.97;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM413490;MM413490;CCCNCC(C=O)=CN;ZMJNXHHNFKSDSD-UHFFFAOYSA-N;142.2;0.03;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_P2";;;;;;;-0.24;;-4.72;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM413491;MM413491;C=CC(C#N)C(O)C#CC;ODRRUXKPZLWGOC-UHFFFAOYSA-N;135.17;0.7;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda_N0";;;;;;;1.17;;-1.13;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM413492;MM413492;C#CC1CC2CC2(C#C)N1;CKDXSZWJTSSAOT-UHFFFAOYSA-N;131.18;0.37;;;;;DOPC;MDCG;27;1;"MARTINI bead: SP1_SNd";;;;;;;0.04;;-3.94;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM413493;MM413493;CC(O)(C#N)CC(=O)O;DXLYGDODWARLFS-UHFFFAOYSA-N;129.12;-0.26;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_P1";;;;;;;-1.06;;-8.63;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM413494;MM413494;CN=Cn1onc(N)c1=O;CSBMBGPOYOCFMI-UHFFFAOYSA-N;142.12;-1.08;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP2_SP1";;;;;;;-1.06;;-3.82;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM413495;MM413495;N=c1c(=O)nc(N)on1N;PZRLHFSSBAXCJG-UHFFFAOYSA-N;143.11;-2.39;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP3_SP3";;;;;;;-3.07;;-6.15;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM413496;MM413496;CCCC1C=CC(OC)=C1;DIPDXZLAOWBHKI-UHFFFAOYSA-N;138.21;2.5;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC2_SNa";;;;;;;2.83;;0.35;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM413497;MM413497;C#CC1CC2CC2(C#C)O1;JACJZLROGGVJCV-UHFFFAOYSA-N;132.16;0.8;;;;;DOPC;MDCG;27;0;"MARTINI bead: SN0_SNa";;;;;;;1.17;;-1.18;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM413498;MM413498;C=CC(C=C)C(F)C#CC;BYQQIVGURMFSCK-UHFFFAOYSA-N;138.19;2.34;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_C2";;;;;;;3.6;;0.34;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM413499;MM413499;NCC1=CC(O)C(N)CC1;ONVJTAGCESFGRM-UHFFFAOYSA-N;142.2;-0.65;;;;;DOPC;MDCG;27;1;"MARTINI bead: SNd_SP1";;;;;;;0.04;;-5.17;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM413500;MM413500;N#CC(CO)C(=O)C(=O)O;XPJLNNRTVHAMOW-UHFFFAOYSA-N;143.1;-1.23;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_P2";;;;;;;-1.34;;-9.58;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM413501;MM413501;CC(C#N)(CO)CC(=O)O;VWTCFVBWURWHTR-UHFFFAOYSA-N;143.14;-0.02;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_P1";;;;;;;-1.06;;-8.43;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM413502;MM413502;COC1=CC(CCN)C=C1;JHPOVMTTXFFBOB-UHFFFAOYSA-N;139.2;1.05;;;;;DOPC;MDCG;27;1;"MARTINI bead: SNa_SNd";;;;;;;0.87;;-4.65;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM413503;MM413503;COC1=CC(O)C(N)CC1;AWJZJGNBODZJFG-UHFFFAOYSA-N;143.19;;;;;;DOPC;MDCG;27;1;"MARTINI bead: SC5_SP1";;;;;;;0.81;;-2.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM413504;MM413504;C=CC(C=O)C(F)C#CC;PHADXSDAWNSREB-UHFFFAOYSA-N;140.16;1.35;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_Na";;;;;;;1.64;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM413505;MM413505;C#CC1OC2CC2(C#C)O1;FGEKLLOKQNBLBX-UHFFFAOYSA-N;134.13;0.14;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP1_SP1";;;;;;;-0.79;;-3.13;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM413506;MM413506;CC=Nn1onc(N)c1=N;CGEXXTVITAOIBE-UHFFFAOYSA-N;141.13;-0.61;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP2_SP1";;;;;;;-1.06;;-3.82;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM413507;MM413507;CCNC1C=CC(CC)=C1;RYVNDFGZQPMVCJ-UHFFFAOYSA-N;137.23;1.87;;;;;DOPC;MDCG;27;1;"MARTINI bead: SNd_SC3";;;;;;;2.57;;-0.42;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM413508;MM413508;C=CC(=CC)COCCC;WFXPWAPDXCYOOG-UHFFFAOYSA-N;140.23;2.55;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_C1";;;;;;;2.91;;0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM413509;MM413509;C=CC(C#N)C(F)C#CC;ALVAXFNMJBXHHS-UHFFFAOYSA-N;137.16;1.67;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_N0";;;;;;;1.94;;0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM413510;MM413510;C=CC1=CC(N)C(O)CC1;DOFRJCSJAPBHLN-UHFFFAOYSA-N;139.2;0.58;;;;;DOPC;MDCG;27;1;"MARTINI bead: SC1_SP1";;;;;;;2.08;;-0.31;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM413511;MM413511;CC=C1CC2CC2(CC)C1;NEVIUOJABJSYMO-UHFFFAOYSA-N;136.24;3.14;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC3_SC1";;;;;;;4.61;;0.31;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM413512;MM413512;CCC(O)C1C(C)C1(C)C;OBXJLUZHLACLDY-UHFFFAOYSA-N;142.24;2.05;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda_SC4";;;;;;;2.2;;0.49;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM413513;MM413513;CCNC1C=CC(CN)=C1;LPUAFTOXALQTCH-UHFFFAOYSA-N;138.21;0.42;;;;;DOPC;MDCG;27;1;"MARTINI bead: SNd_SNd";;;;;;;0.87;;-4.43;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM413514;MM413514;C=CC(=CC)COCCN;RLIZJLYFRCWBOP-UHFFFAOYSA-N;141.21;1.09;;;;;DOPC;MDCG;27;1;"MARTINI bead: C1_P3";;;;;;;0.94;;-1.82;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM413515;MM413515;CC#CC(F)C(C#N)C=O;CRRIGIAGYRPZQT-UHFFFAOYSA-N;139.13;0.69;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_Na";;;;;;;1.64;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM413516;MM413516;C=CC1=CC(N)C(N)CO1;VCPARXXNDUCJJX-UHFFFAOYSA-N;140.19;-0.26;;;;;DOPC;MDCG;27;1;"MARTINI bead: SP2_SC5";;;;;;;0.54;;-2.91;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM413517;MM413517;CCC12CC(=CF)CC1C2;GUAOPDADRXXONF-UHFFFAOYSA-N;140.2;3.05;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC3_SC4";;;;;;;3.9;;0.47;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM413518;MM413518;C=NNC(=CC#N)C(=O)O;FXJVQHINMVJRSL-UHFFFAOYSA-N;139.11;-0.32;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda_P2";;;;;;;-0.24;;-8.46;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM413519;MM413519;CCNC1C=CC(CF)=C1;MBNSXIMUQNOFFG-UHFFFAOYSA-N;141.19;1.43;;;;;DOPC;MDCG;27;1;"MARTINI bead: SNd_SC5";;;;;;;1.64;;-1.57;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM413520;MM413520;C=CC(=CC)COCCO;JVWRSQFNXDSXKF-UHFFFAOYSA-N;142.2;1.13;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1_P2";;;;;;;1.8;;0.4;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM413521;MM413521;CC#CC(F)C(C#N)C#N;REPITFWMGVYRHB-UHFFFAOYSA-N;136.13;1.01;;;;;DOPC;MDCG;27;0;"MARTINI bead: N0_Na";;;;;;;1.17;;-1.17;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM413522;MM413522;C=CC1=NN(C)C(C)CC1;WTDSBYHNHRGLMR-UHFFFAOYSA-N;138.21;1.64;;;;;DOPC;MDCG;27;0;"MARTINI bead: SN0_SN0";;;;;;;1.47;;-0.05;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM413523;MM413523;CC=C1CC2CC2(CN)C1;TUMHCSGJVUZNRZ-UHFFFAOYSA-N;137.23;1.69;;;;;DOPC;MDCG;27;1;"MARTINI bead: SC1_SNd";;;;;;;2.91;;-0.28;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM413524;MM413524;CC#CC1CCC(C)C1C;CLVYWBTXKCHSFJ-UHFFFAOYSA-N;136.24;2.69;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC1_SC3";;;;;;;4.61;;0.31;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM413525;MM413525;C#CC=C(F)COC=NN;KZGALYGDCBGDGN-UHFFFAOYSA-N;142.13;0.39;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_C5";;;;;;;0.81;;-0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM413526;MM413526;C=CC(=CF)COCCC;PTYHUPUNKMVKDG-UHFFFAOYSA-N;144.19;2.45;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_C4";;;;;;;2.2;;0.34;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM413527;MM413527;CC#CC(C)N(C=O)C=O;LDZDKKBOTMSKJW-UHFFFAOYSA-N;139.15;0.01;;;;;DOPC;MDCG;27;0;"MARTINI bead: C3_P4";;;;;;;0.52;;-1.59;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM413528;MM413528;CCC1=CN(C)C(=N)CC1;DOAYJQFHEGTNQL-UHFFFAOYSA-N;138.21;1.98;;;;;DOPC;MDCG;27;1;"MARTINI bead: SN0_SNd";;;;;;;1.17;;-5.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM413529;MM413529;NCC12CC(=CF)CC1C2;ZIBCFKNEMRTMMN-UHFFFAOYSA-N;141.19;1.6;;;;;DOPC;MDCG;27;1;"MARTINI bead: SNd_SC4";;;;;;;2.2;;-1.91;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM413530;MM413530;CC#CC1CCC(N)C1C;OHPCFUIDAGKLJS-UHFFFAOYSA-N;137.23;1.38;;;;;DOPC;MDCG;27;1;"MARTINI bead: SC1_SNd";;;;;;;2.91;;-0.79;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM413531;MM413531;CCCn1ccc(CC)c1;BWKYTCAPBRXFKW-UHFFFAOYSA-N;137.23;2.46;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC4_SC5";;;;;;;2.97;;0.45;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM413532;MM413532;CC=C(C#N)COCCC;MBIXBXOSUUSQFN-UHFFFAOYSA-N;139.2;1.88;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_N0";;;;;;;1.17;;-1.18;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM413533;MM413533;CN1C=C(CN)CCC1=N;BDSXLRMYDCPURA-UHFFFAOYSA-N;139.2;0.53;;;;;DOPC;MDCG;27;1;"MARTINI bead: SP1_SNd";;;;;;;0.04;;-6.95;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM413534;MM413534;C#CC(C=C)C(C)C#CC;SWKCXDHDZCBHID-UHFFFAOYSA-N;132.21;2.08;;;;;DOPC;MDCG;27;0;"MARTINI bead: C3_C5";;;;;;;3.34;;0.48;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM413535;MM413535;CC=NNC(C)=NOCC;HFAJRGPHAMCESQ-UHFFFAOYSA-N;143.19;0.95;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_Nd";;;;;;;1.64;;0.02;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM413536;MM413536;CCCn1ccc(CN)c1;ZNKPVILXADENLY-UHFFFAOYSA-N;138.21;1.36;;;;;DOPC;MDCG;27;1;"MARTINI bead: SC4_SP1";;;;;;;1.37;;-1.83;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM413537;MM413537;CCC12CC(C1)C(C)(O)C2;ZVIKVUQVCBBPAF-UHFFFAOYSA-N;140.23;1.95;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC1_SNda";;;;;;;2.91;;0.57;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM413538;MM413538;CC=C(C=O)COCCO;HIVRAHXDDQJZLZ-UHFFFAOYSA-N;144.17;0.14;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_P1";;;;;;;0.04;;-2.54;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM413539;MM413539;C#CC(C=O)C(C)C#CC;SNESKSXNSIUHSJ-UHFFFAOYSA-N;134.18;1.09;;;;;DOPC;MDCG;27;0;"MARTINI bead: C3_Na";;;;;;;2.57;;0.45;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM413540;MM413540;CN1C=C(CO)CCC1=N;AGQBIGNAFSHBBN-UHFFFAOYSA-N;140.19;0.57;;;;;DOPC;MDCG;27;1;"MARTINI bead: SP1_SNd";;;;;;;0.04;;-6.86;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM413541;MM413541;CCC(O)C(C)CC=CF;NXCJNLZERZOAOF-UHFFFAOYSA-N;146.21;2.27;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda_C1";;;;;;;2.91;;0.57;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM413542;MM413542;CCCn1ccc(CO)c1;XXEKRXKKJUDUGL-UHFFFAOYSA-N;139.2;1.39;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC4_SNda";;;;;;;2.2;;0.49;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM413543;MM413543;CC#CC1NCC(F)C1C;HYBXPHGJHAEESY-UHFFFAOYSA-N;141.19;0.96;;;;;DOPC;MDCG;27;1;"MARTINI bead: SNd_SP1";;;;;;;0.04;;-3.82;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM413544;MM413544;CC=C(C=O)COCCF;DQRXYDBVDINMMD-UHFFFAOYSA-N;146.16;1.12;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_Na";;;;;;;0.87;;-2.22;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM413545;MM413545;C#CC(C#N)C(C)C#CC;JARGZWMLEQJXSZ-UHFFFAOYSA-N;131.18;1.42;;;;;DOPC;MDCG;27;0;"MARTINI bead: C3_N0";;;;;;;2.87;;0.37;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM413546;MM413546;CN1C=C(CF)CCC1=N;AAGRQQCYIXWUKS-UHFFFAOYSA-N;142.18;1.54;;;;;DOPC;MDCG;27;1;"MARTINI bead: SNa_SNd";;;;;;;0.87;;-6.09;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM413547;MM413547;CC=C1CC2CC2(CF)C1;RMACXNQNDOZNTQ-UHFFFAOYSA-N;140.2;2.7;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC1_SC5";;;;;;;3.68;;0.46;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM413548;MM413548;CCCn1ccc(CF)c1;PCVFXFBQLILSEL-UHFFFAOYSA-N;141.19;2.37;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC4_SNa";;;;;;;2.2;;0.34;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM413549;MM413549;C=C1CCC(C#CC)C1C;KRAXOAVKLWODGH-UHFFFAOYSA-N;134.22;2.61;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC2_SC3";;;;;;;4.53;;0.32;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM413550;MM413550;CCC1=CN(C)C(=O)CC1;CWZUVMQQGHYCGR-UHFFFAOYSA-N;139.2;1.53;;;;;DOPC;MDCG;27;0;"MARTINI bead: SN0_SP1";;;;;;;0.34;;-1.53;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM413551;MM413551;NC=C(C=O)COCCO;DGBWRIUZFQXJIO-UHFFFAOYSA-N;145.16;-0.96;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_P2";;;;;;;-1.34;;-4.31;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM413552;MM413552;C#CC(C=C)C(N)C#CC;MWKIITDYOJRFLA-UHFFFAOYSA-N;133.19;0.77;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_C5";;;;;;;1.64;;-1.32;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM413553;MM413553;FC=C1CC2CC2(CF)C1;UOZFTBYTTIQBRL-UHFFFAOYSA-N;144.16;2.61;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC5_SC4";;;;;;;2.97;;0.45;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM413554;MM413554;CCCn1ccc(NC)c1;WHJABNJIYUBVKC-UHFFFAOYSA-N;138.21;1.94;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC4_SNd";;;;;;;2.2;;0.32;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM413555;MM413555;CC#CC1CCC(=O)C1C;DXFBXYBBRZZCDU-UHFFFAOYSA-N;136.19;1.62;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC2_SNa";;;;;;;2.83;;0.35;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM413556;MM413556;CN1C=C(CN)CCC1=O;YCEXVKOQARNNCA-UHFFFAOYSA-N;140.19;0.08;;;;;DOPC;MDCG;27;1;"MARTINI bead: SP1_SP1";;;;;;;-0.79;;-4.94;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM413557;MM413557;Nc1nn(N)c(=O)c(=O)o1;WQDCVTMGZHSMLP-UHFFFAOYSA-N;144.09;-2.51;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP3_SP3";;;;;;;-3.07;;-6.15;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM413558;MM413558;C#CC(C=C)C(O)C#CC;OAMDPIHVPHVWEO-UHFFFAOYSA-N;134.18;0.81;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda_C5";;;;;;;1.64;;0.05;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM413559;MM413559;CCC12CC(=NN)CC1C2;OKYJKGROBISHTJ-UHFFFAOYSA-N;138.21;1.51;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC3_SNd";;;;;;;2.57;;0.53;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM413560;MM413560;CCCn1ccc(OC)c1;JZBDCXQRCMABCK-UHFFFAOYSA-N;139.2;1.91;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC4_SNa";;;;;;;2.2;;0.34;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM413561;MM413561;C=C1CNC(C#CC)C1C;LIUQPXROXKJOEO-UHFFFAOYSA-N;135.21;1.17;;;;;DOPC;MDCG;27;1;"MARTINI bead: SNd_SP1";;;;;;;0.04;;-4.63;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM413562;MM413562;NC=C(C=O)COCCF;YRHYXJMTMJJQSA-UHFFFAOYSA-N;147.15;0.01;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_Na";;;;;;;-0.24;;-3.24;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM413563;MM413563;CN1C=C(CO)CCC1=O;DOHPYZSVHCGYPQ-UHFFFAOYSA-N;141.17;0.11;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP1_SP1";;;;;;;-0.79;;-3.13;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM413564;MM413564;C#CC(C=O)C(O)C#CC;BEXNUXJEUJLIFP-UHFFFAOYSA-N;136.15;-0.18;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda_Na";;;;;;;0.87;;-1.99;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM413565;MM413565;CCC12CC(=NO)CC1C2;CHEWSVLUKUNWMT-UHFFFAOYSA-N;139.2;2.03;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC3_SNda";;;;;;;2.57;;0.44;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM413566;MM413566;CCNn1ccc(CC)c1;NEUPVISIARKQID-UHFFFAOYSA-N;138.21;1.61;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNd_SC5";;;;;;;1.64;;0.02;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM413567;MM413567;FCC=NOCC=C(F)F;LKKLIMJRFUVUDA-UHFFFAOYSA-N;153.1;1.74;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_C4";;;;;;;1.37;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM413568;MM413568;CCCOCC(C=O)=CF;RKFKMECAKHZYLE-UHFFFAOYSA-N;146.16;1.47;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_Na";;;;;;;0.87;;-2.22;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM413569;MM413569;CN1C=C(CF)CCC1=O;RWNDXCMYPBZPRD-UHFFFAOYSA-N;143.16;1.09;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNa_SP1";;;;;;;0.04;;-2.54;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM413570;MM413570;C#CC(C#N)C(O)C#CC;WSZZNYJFJCEVQV-UHFFFAOYSA-N;133.15;0.14;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda_N0";;;;;;;1.17;;-1.13;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM413571;MM413571;NCC12CC(=NO)CC1C2;ONXFMHKGPQOMQQ-UHFFFAOYSA-N;140.19;0.58;;;;;DOPC;MDCG;27;1;"MARTINI bead: SNd_SNda";;;;;;;0.87;;-4.33;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM413572;MM413572;CCNn1ccc(CN)c1;KVZIRGGNSLBCQI-UHFFFAOYSA-N;139.2;0.51;;;;;DOPC;MDCG;27;1;"MARTINI bead: SNd_SP1";;;;;;;0.04;;-4.45;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM413573;MM413573;CCCOCC(C#N)=CF;MECXSRGUUUAOEM-UHFFFAOYSA-N;143.16;1.79;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_Na";;;;;;;0.87;;-2.22;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM413574;MM413574;CC#CC1OCC(=O)C1C;JPSLSCUUPFTDHT-UHFFFAOYSA-N;138.17;0.61;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC5_SP1";;;;;;;0.81;;-0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM413575;MM413575;CCC1=CN(N)C(=N)CC1;CYIIYBWYBNBOHK-UHFFFAOYSA-N;139.2;1.23;;;;;DOPC;MDCG;27;1;"MARTINI bead: SN0_SP1";;;;;;;0.34;;-4.72;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM413576;MM413576;C#CC(C=C)C(F)C#CC;JCSMRYJPOWPLEV-UHFFFAOYSA-N;136.17;1.78;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_C5";;;;;;;2.41;;0.64;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM413577;MM413577;CN(C=O)N(C=O)C=NN;UVIHSXHPUPPGGR-UHFFFAOYSA-N;144.13;-1.65;;;;;DOPC;MDCG;27;0;"MARTINI bead: P4_P1";;;;;;;-2.01;;-5.13;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM413578;MM413578;CCOC(C)=COC=NN;IRUXLZBTOVEOML-UHFFFAOYSA-N;144.17;0.8;;;;;DOPC;MDCG;27;0;"MARTINI bead: C3_P3";;;;;;;0.6;;-0.8;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM413579;MM413579;C=C1C(N)CCC1C#CC;OJORBMLSLCPUIT-UHFFFAOYSA-N;135.21;1.3;;;;;DOPC;MDCG;27;1;"MARTINI bead: SC3_SNd";;;;;;;2.57;;-1.2;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM413580;MM413580;N=C1CCC(CO)=CN1N;FIOVFJLPSBSRGU-UHFFFAOYSA-N;141.17;-0.19;;;;;DOPC;MDCG;27;1;"MARTINI bead: SP1_SP1";;;;;;;-0.79;;-6.1;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM413581;MM413581;O=CC(=CF)COCCO;OPNRUXSXVKDTLM-UHFFFAOYSA-N;148.13;0.05;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_Na";;;;;;;-0.24;;-3.24;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM413582;MM413582;C#CC(C#N)C(F)C#CC;QIIFOHFIBINJTI-UHFFFAOYSA-N;135.14;1.12;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_N0";;;;;;;1.94;;0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM413583;MM413583;OCC12CC(=NO)CC1C2;HLJYKJXGIUKNCU-UHFFFAOYSA-N;141.17;0.61;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNda_SNda";;;;;;;0.87;;-2.07;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM413584;MM413584;CCNn1ccc(CF)c1;MPUDGKCNIAMLND-UHFFFAOYSA-N;142.18;1.52;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNd_SNa";;;;;;;0.87;;-1.88;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM413585;MM413585;C=C1C(=O)CCC1C#CC;YDXYQTWDTWQPCC-UHFFFAOYSA-N;134.18;1.55;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC2_SNa";;;;;;;2.83;;0.35;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM413586;MM413586;C#CC(C#C)C(C)C#CC;UWZFOCWPTSNFQB-UHFFFAOYSA-N;130.19;1.53;;;;;DOPC;MDCG;27;0;"MARTINI bead: C3_N0";;;;;;;2.87;;0.37;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM413587;MM413587;C=CC(=CC)COCOC;BBXWUZFIGRLZEP-UHFFFAOYSA-N;142.2;1.74;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_C1";;;;;;;2.08;;0.48;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM413588;MM413588;N=C1CCC(CF)=CN1N;ZQDYKTCXPRORCU-UHFFFAOYSA-N;143.17;0.79;;;;;DOPC;MDCG;27;1;"MARTINI bead: SNa_SP1";;;;;;;0.04;;-5.44;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM413589;MM413589;NN=C1CC2CC2(CF)C1;BGEAWGNTFVHNCE-UHFFFAOYSA-N;142.18;1.07;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNd_SC5";;;;;;;1.64;;0.02;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM413590;MM413590;CCNn1ccc(NC)c1;HBWZLCNTQQRZDW-UHFFFAOYSA-N;139.2;1.09;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNd_SNd";;;;;;;0.87;;-2.11;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM413591;MM413591;O=CNC(=O)C#CC(=O)O;SMNIPDPDDUKKNE-UHFFFAOYSA-N;141.08;-1.65;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_P2";;;;;;;-1.06;;-9.05;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM413592;MM413592;C#CC(C#C)C(N)C#CC;BSQAEWSOIOFLJT-UHFFFAOYSA-N;131.18;0.22;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_N0";;;;;;;1.17;;-2.13;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM413593;MM413593;CCC1=CN(N)C(=O)CC1;AEHCDJBKQZHFRB-UHFFFAOYSA-N;140.19;0.78;;;;;DOPC;MDCG;27;0;"MARTINI bead: SN0_SP1";;;;;;;0.34;;-1.53;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM413594;MM413594;CC=C(C#N)COCOC;GKADMBUYPRVBIK-UHFFFAOYSA-N;141.17;1.08;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_C5";;;;;;;0.54;;-1.09;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM413595;MM413595;CC=C1CC2CC2(NC)C1;GPMKIMKXRFGYRC-UHFFFAOYSA-N;137.23;1.7;;;;;DOPC;MDCG;27;1;"MARTINI bead: SNd_SC1";;;;;;;2.91;;-0.58;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM413596;MM413596;CCNn1ccc(OC)c1;XBWIHVUEJLTUBT-UHFFFAOYSA-N;140.19;1.06;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNd_SNa";;;;;;;0.87;;-1.88;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM413597;MM413597;CC1CCC(=CC#N)C1C;LYYIFPNKPDIEHX-UHFFFAOYSA-N;135.21;2.5;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC3_SC4";;;;;;;3.9;;0.47;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM413598;MM413598;C=COC1=NC(=NN)N=C1;BDBIZSZYJUPSDN-UHFFFAOYSA-N;138.13;-0.14;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP1_SNa";;;;;;;0.04;;-2.54;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM413599;MM413599;C#CC(C#C)C(O)C#CC;XGOKDIRLDZJNAX-UHFFFAOYSA-N;132.16;0.25;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda_N0";;;;;;;1.17;;-1.13;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM413600;MM413600;COCOCC(C=O)=CN;PZFNUFMNNNYGLS-UHFFFAOYSA-N;145.16;-0.35;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_P2";;;;;;;-1.06;;-3.82;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM413601;MM413601;CNC12CC(=CF)CC1C2;ZUOKGOWWSUXMPZ-UHFFFAOYSA-N;141.19;1.61;;;;;DOPC;MDCG;27;1;"MARTINI bead: SNd_SC4";;;;;;;2.2;;-2.23;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM413602;MM413602;CCCn1cnc(CC)c1;DGXUIQXXQLMVIN-UHFFFAOYSA-N;138.21;1.86;;;;;DOPC;MDCG;27;0;"MARTINI bead: SN0_SNa";;;;;;;1.17;;-1.17;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM413603;MM413603;CC1OCC(=CC#N)C1C;OPSNBOSEOKPJBV-UHFFFAOYSA-N;137.18;1.49;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNa_SN0";;;;;;;1.17;;-1.18;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM413604;MM413604;NN1C=C(CF)CCC1=O;XPKQZKQZIFVFEX-UHFFFAOYSA-N;144.15;0.34;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNa_SP1";;;;;;;0.04;;-2.54;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM413605;MM413605;C=CC(COCCC)=NN;RIFRGMQCEGRLEI-UHFFFAOYSA-N;142.2;0.91;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_Nd";;;;;;;0.87;;-1.88;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM413606;MM413606;C#CC(C#C)C(F)C#CC;LOKKSMIIWWICFF-UHFFFAOYSA-N;134.15;1.23;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_N0";;;;;;;1.94;;0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM413607;MM413607;CNC12CC(=NN)CC1C2;CAOKIIAITVEMMQ-UHFFFAOYSA-N;139.2;0.07;;;;;DOPC;MDCG;27;1;"MARTINI bead: SNd_SNd";;;;;;;0.87;;-4.44;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM413608;MM413608;C=COC(C)=COC=NN;BJFVYAUCBWCZEU-UHFFFAOYSA-N;142.16;0.93;;;;;DOPC;MDCG;27;0;"MARTINI bead: C3_P3";;;;;;;0.6;;-0.8;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM413609;MM413609;CCC1=CN(O)C(=N)CC1;NAPNXTDMELEUHS-UHFFFAOYSA-N;140.19;1.74;;;;;DOPC;MDCG;27;1;"MARTINI bead: SN0_SP1";;;;;;;0.34;;-3.3;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM413610;MM413610;CC1C(=CC#N)NCC1F;ZRHNAPWOHIKDAP-UHFFFAOYSA-N;140.16;0.97;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP1_SNd";;;;;;;0.04;;-2.63;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM413611;MM413611;C=CC(COCCC)=NO;GPXMQUHQWOCFGN-UHFFFAOYSA-N;143.19;1.43;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_Nda";;;;;;;0.87;;-1.99;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM413612;MM413612;C=C(C#CC)C(CN)CN;GIDGRYFCKBLMIA-UHFFFAOYSA-N;138.21;0.1;;;;;DOPC;MDCG;27;1;"MARTINI bead: C4_P3";;;;;;;0.23;;-3.68;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM413613;MM413613;CNC12CC(=NO)CC1C2;QWBCNAGULRTAMA-UHFFFAOYSA-N;140.19;0.59;;;;;DOPC;MDCG;27;1;"MARTINI bead: SNd_SNda";;;;;;;0.87;;-4.14;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM413614;MM413614;CCCn1cnc(CF)c1;YXTKRTYZQBYSMI-UHFFFAOYSA-N;142.18;1.76;;;;;DOPC;MDCG;27;0;"MARTINI bead: SN0_SNa";;;;;;;1.17;;-1.18;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM413615;MM413615;N=C1CCC(CN)=CN1O;CODMBFXAOGVFKO-UHFFFAOYSA-N;141.17;0.29;;;;;DOPC;MDCG;27;1;"MARTINI bead: SP1_SP1";;;;;;;-0.79;;-4.86;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM413616;MM413616;C#CC=C1CCC(C)C1C;HGCMIFXVWUFHTM-UHFFFAOYSA-N;134.22;2.61;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC3_SC3";;;;;;;4.27;;0.2;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM413617;MM413617;O=c1c(=O)n(O)[nH]n1O;IZVFIBLDSNXIBU-UHFFFAOYSA-N;133.06;-2.19;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP3_SP3";;;;;;;-3.07;;-10.17;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM413618;MM413618;C=C(C#CC)C(CN)CF;SMVULSZLLIPUPB-UHFFFAOYSA-N;141.19;1.11;;;;;DOPC;MDCG;27;1;"MARTINI bead: C4_P1";;;;;;;1.37;;-2.59;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM413619;MM413619;CC=C1CC2CC2(OC)C1;BJUGVONLYVEFHZ-UHFFFAOYSA-N;138.21;2.13;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNa_SC1";;;;;;;2.91;;0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM413620;MM413620;CCCn1cnc(NC)c1;KVSUHSFZOXTUMM-UHFFFAOYSA-N;139.2;1.33;;;;;DOPC;MDCG;27;0;"MARTINI bead: SN0_SNda";;;;;;;1.17;;-1.13;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM413621;MM413621;C=C(C#N)C(N)=CC(=O)O;FKPSTMKJVJJQTL-UHFFFAOYSA-N;138.13;-0.01;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_N0";;;;;;;0.34;;-6.26;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM413622;MM413622;N=C1CCC(CO)=CN1O;SWQPRGPVDGIZCJ-UHFFFAOYSA-N;142.16;0.32;;;;;DOPC;MDCG;27;1;"MARTINI bead: SP1_SP1";;;;;;;-0.79;;-4.66;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM413623;MM413623;C#CC=C1CCC(N)C1C;JFRZCZKAQHZUDN-UHFFFAOYSA-N;135.21;1.3;;;;;DOPC;MDCG;27;1;"MARTINI bead: SNd_SC3";;;;;;;2.57;;-1.74;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM413624;MM413624;CC#CC(=O)C(CC)CO;OSJPACIDGGVPHY-UHFFFAOYSA-N;140.18;0.6;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda_C5";;;;;;;1.64;;0.05;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM413625;MM413625;COC12CC(=CF)CC1C2;KRRCSDBNLKDDED-UHFFFAOYSA-N;142.17;2.04;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNa_SC4";;;;;;;2.2;;0.34;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM413626;MM413626;CCCn1cnc(OC)c1;OKOOSLWWQGPKIU-UHFFFAOYSA-N;140.19;1.3;;;;;DOPC;MDCG;27;0;"MARTINI bead: SN0_SNa";;;;;;;1.17;;-1.18;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM413627;MM413627;N=c1nn[nH]n(N)c1=O;PBTZAEHGNVLQAL-UHFFFAOYSA-N;128.1;-2.84;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP2_SP3";;;;;;;-2.2;;-9.44;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM413628;MM413628;CCC1=CN(O)C(=O)CC1;NYSRPCUQVYMMAG-UHFFFAOYSA-N;141.17;1.29;;;;;DOPC;MDCG;27;0;"MARTINI bead: SN0_SP1";;;;;;;0.34;;-1.53;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM413629;MM413629;CC(CCF)ON=CCF;ZYYVDPDAYRZLDD-UHFFFAOYSA-N;151.16;1.71;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4_P1";;;;;;;1.37;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM413630;MM413630;COC12CC(=NN)CC1C2;UNDYKCPBPGPRQS-UHFFFAOYSA-N;140.19;0.5;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNa_SNd";;;;;;;0.87;;-1.88;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM413631;MM413631;CCNn1cnc(CC)c1;MSBQYNAZNCMWSH-UHFFFAOYSA-N;139.2;1.01;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP1_SNa";;;;;;;0.04;;-2.54;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM413632;MM413632;CC#CC(=O)C(CO)CO;PPOWCJPVDGEPEG-UHFFFAOYSA-N;142.15;-0.82;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_P3";;;;;;;-0.33;;-2.01;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM413633;MM413633;COc1n[nH]c(=NN)o1;XAKNLWAEFSLBHG-UHFFFAOYSA-N;130.11;-1.21;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP1_SP3";;;;;;;-1.93;;-8.92;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM413634;MM413634;O=C1CCC(CO)=CN1O;JXLOHCQJGQRZQW-UHFFFAOYSA-N;143.14;-0.13;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP1_SP1";;;;;;;-0.79;;-3.13;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM413635;MM413635;C#CC=C1CCC(F)C1C;TUSAAPASJJQYBR-UHFFFAOYSA-N;138.19;2.31;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC5_SC3";;;;;;;3.34;;0.48;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM413636;MM413636;COC12CC(=NO)CC1C2;HKWPXZBKRIWAIG-UHFFFAOYSA-N;141.17;1.02;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNa_SNda";;;;;;;0.87;;-1.99;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM413637;MM413637;CCNn1cnc(NC)c1;WSCBZPFJGOQWCT-UHFFFAOYSA-N;140.19;0.49;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP1_SNda";;;;;;;0.04;;-2.73;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM413638;MM413638;C=C(C#CC)C(CN)NC;QMGSNUSTHFZXPA-UHFFFAOYSA-N;138.21;0.11;;;;;DOPC;MDCG;27;1;"MARTINI bead: P2_N0";;;;;;;0.06;;-4.23;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM413639;MM413639;C=CC(COCOC)=NN;BUQCVQNHEQYJND-UHFFFAOYSA-N;144.17;0.11;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_Nd";;;;;;;0.04;;-2.63;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM413640;MM413640;COC1=CN(C)C(=N)CC1;GKTKEPBTZUDPRZ-UHFFFAOYSA-N;140.19;1.18;;;;;DOPC;MDCG;27;1;"MARTINI bead: SNa_SNd";;;;;;;0.87;;-5.19;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM413641;MM413641;C#CC=C1CNC(C)C1C;VXFLSYIPRUASCN-UHFFFAOYSA-N;135.21;1.17;;;;;DOPC;MDCG;27;1;"MARTINI bead: SNd_SN0";;;;;;;1.17;;-4.2;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM413642;MM413642;CCNn1cnc(OC)c1;IVAYQRBLLGYMBR-UHFFFAOYSA-N;141.17;0.46;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP1_SNa";;;;;;;0.04;;-2.54;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM413643;MM413643;CCC12CC(NC)=NC1C2;URBZMTANYKDSDV-UHFFFAOYSA-N;138.21;1.18;;;;;DOPC;MDCG;27;1;"MARTINI bead: SC3_SNd";;;;;;;2.57;;-2.56;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM413644;MM413644;CC#CC(=O)C(CC)OC;MPVLWNXYJPNIBA-UHFFFAOYSA-N;140.18;1;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_C5";;;;;;;1.64;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM413645;MM413645;COc1cc(O)[nH]n1;QNFCLYVZZZVIHZ-UHFFFAOYSA-N;114.1;0.12;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNda_SP1";;;;;;;0.04;;-7.43;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM413646;MM413646;C#CC=C1COC(C)C1C;AKSZQQYHKACJRU-UHFFFAOYSA-N;136.19;1.6;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNa_SC5";;;;;;;1.64;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM413647;MM413647;COC1=CN(C)C(=O)CC1;IUBYLPPOSPUTFJ-UHFFFAOYSA-N;141.17;0.73;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNa_SP1";;;;;;;0.04;;-2.54;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM413648;MM413648;CCCn1cc(CC)cn1;NNMDGCDHKUBXLD-UHFFFAOYSA-N;138.21;1.86;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC5_SN0";;;;;;;1.94;;0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM413649;MM413649;CCC12CC(NN)=NC1C2;VQOWWZPGJFOIQE-UHFFFAOYSA-N;139.2;0.42;;;;;DOPC;MDCG;27;1;"MARTINI bead: SC3_SNd";;;;;;;2.57;;-0.87;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM413650;MM413650;C=C(C#CC)C(OC)OC;XKJCWVDHRCSCQE-UHFFFAOYSA-N;140.18;1.18;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_C4";;;;;;;1.37;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM413651;MM413651;C#CC=C1CCN(C)C1C;JAFPNUCBDUIDDG-UHFFFAOYSA-N;135.21;1.27;;;;;DOPC;MDCG;27;1;"MARTINI bead: SNd_SN0";;;;;;;1.17;;-2.79;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM413652;MM413652;C=CC(=NCCCC)NC;NETQBPNWDQXWAK-UHFFFAOYSA-N;140.23;1.59;;;;;DOPC;MDCG;27;1;"MARTINI bead: C1_Nd";;;;;;;2.91;;-1.97;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM413653;MM413653;COC1=CN(N)C(=N)CC1;KDSPZPIZNOVJPW-UHFFFAOYSA-N;141.17;0.42;;;;;DOPC;MDCG;27;1;"MARTINI bead: SNa_SP1";;;;;;;0.04;;-4.55;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM413654;MM413654;CCCn1cc(CN)cn1;VEDJQINYVJOHTP-UHFFFAOYSA-N;139.2;0.75;;;;;DOPC;MDCG;27;1;"MARTINI bead: SC5_SP2";;;;;;;0.54;;-2.53;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM413655;MM413655;CN=C1CC2(CN)CC2N1;PGEDIJKIPJLOFL-UHFFFAOYSA-N;139.2;-0.27;;;;;DOPC;MDCG;27;1;"MARTINI bead: SNd_SP2";;;;;;;-0.24;;-6.92;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM413656;MM413656;CC#CC(=O)C(OC)OC;RNEXAYBMUZYAJU-UHFFFAOYSA-N;142.15;0.2;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_C5";;;;;;;0.81;;-0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM413657;MM413657;C=CC(=NCCCC)NN;RJQCPCDKLPJZQY-UHFFFAOYSA-N;141.22;0.83;;;;;DOPC;MDCG;27;1;"MARTINI bead: C1_P1";;;;;;;2.08;;-1.01;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM413658;MM413658;C=C1CCC(=CCC)C1C;KZDSAXWYEFFCGP-UHFFFAOYSA-N;136.24;3.31;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC1_SC3";;;;;;;4.61;;0.31;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM413659;MM413659;COC1=CN(N)C(=O)CC1;BPPYMGSEJAPWKA-UHFFFAOYSA-N;142.16;-0.03;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNa_SP1";;;;;;;0.04;;-2.54;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM413660;MM413660;C=C(C)C(=C)C(=NN)OC;MTVAVFPEZQGICK-UHFFFAOYSA-N;140.19;1.04;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda_C4";;;;;;;2.2;;0.49;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM413661;MM413661;NCC12CC(NO)=NC1C2;IDKGWHXUBCKXDK-UHFFFAOYSA-N;141.17;-0.52;;;;;DOPC;MDCG;27;1;"MARTINI bead: SNd_SNda";;;;;;;0.87;;-3.79;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM413662;MM413662;CC#CC(=O)N(CC)CC;SLEPFCXDTLQPJB-UHFFFAOYSA-N;139.2;0.88;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nd_C5";;;;;;;1.64;;0.02;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM413663;MM413663;C=CC(=NN)NCCCO;IVNYYSBRINCNCB-UHFFFAOYSA-N;143.19;-0.58;;;;;DOPC;MDCG;27;1;"MARTINI bead: P2_Nd";;;;;;;-0.24;;-5.16;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM413664;MM413664;CCC=C1CNC(=N)C1C;LYRLOHWRSFNYDU-UHFFFAOYSA-N;138.21;1.54;;;;;DOPC;MDCG;27;1;"MARTINI bead: SN0_SNd";;;;;;;1.17;;-5.2;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM413665;MM413665;CCC1=NN(C)C(=O)CC1;YOQIRWLSKSNJQG-UHFFFAOYSA-N;140.19;1;;;;;DOPC;MDCG;27;0;"MARTINI bead: SN0_SP1";;;;;;;0.34;;-1.53;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM413666;MM413666;CCCn1cc(NC)cn1;DRFMCJYFTZIZCG-UHFFFAOYSA-N;139.2;1.33;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC5_SNd";;;;;;;1.64;;0.02;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM413667;MM413667;CC#CC(=O)N(CC)NC;AELUHFBCENOMAQ-UHFFFAOYSA-N;140.19;-0.01;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_C5";;;;;;;0.54;;-1.09;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM413668;MM413668;C=CC(=NCCCC)NO;NHHPWAROPAIOLA-UHFFFAOYSA-N;142.2;1.35;;;;;DOPC;MDCG;27;1;"MARTINI bead: C1_P1";;;;;;;2.08;;0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM413669;MM413669;NN=C1CC2(CO)CC2N1;YGDZEKMCCWYUOO-UHFFFAOYSA-N;141.17;-1;;;;;DOPC;MDCG;27;1;"MARTINI bead: SNd_SP2";;;;;;;-0.24;;-4.61;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM413670;MM413670;CCN=c1o[nH]c(=O)n1C;HSWWIEVRMNPDCO-UHFFFAOYSA-N;143.15;-0.77;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_SP2";;;;;;;0.54;;-1.09;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM413671;MM413671;CN1N=C(CN)CCC1=O;DLMFZUAWLCQLNW-UHFFFAOYSA-N;141.17;-0.45;;;;;DOPC;MDCG;27;1;"MARTINI bead: SP1_SP1";;;;;;;-0.79;;-4.19;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM413672;MM413672;CC#CC(=O)N(CC)OC;AUBFBHYAWZNEQZ-UHFFFAOYSA-N;141.17;0.42;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_C5";;;;;;;1.64;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM413673;MM413673;CCCn1cc(OC)cn1;LCQVZURXTURARS-UHFFFAOYSA-N;140.19;1.3;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC5_SNa";;;;;;;1.64;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM413674;MM413674;CCCCN=C(C=O)NC;KACMZEXEGCUDRD-UHFFFAOYSA-N;142.2;0.6;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1_P3";;;;;;;0.94;;0.03;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM413675;MM413675;C#CC(=O)N(C=NN)NC;YDMSZNUTBQDEMR-UHFFFAOYSA-N;140.15;-1.52;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_P5";;;;;;;-1.94;;-5.95;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM413676;MM413676;CCN=c1o[nH]c(=O)n1N;NKGRHBCVKQYOEH-UHFFFAOYSA-N;144.13;-1.6;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP1_SP2";;;;;;;-1.06;;-3.82;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM413677;MM413677;C#CCC1=NC(=NN)N=C1;YJUVQAGXHYTMNU-UHFFFAOYSA-N;134.14;-0.24;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP1_SN0";;;;;;;0.34;;-1.53;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM413678;MM413678;CCCn1cc(CC)nn1;WUCYJZLMCVRBSQ-UHFFFAOYSA-N;139.2;1.25;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNa_SNa";;;;;;;0.87;;-2.22;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM413679;MM413679;C=C(C#CC)C(C=O)CC;WZPBPUCUGUNXKO-UHFFFAOYSA-N;136.19;1.79;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_C4";;;;;;;2.97;;0.45;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM413680;MM413680;CCCCN=C(C#N)NC;RPQIAVUMHHGQQW-UHFFFAOYSA-N;139.2;0.93;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1_P2";;;;;;;1.8;;0.4;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM413681;MM413681;CN=C1CC2(NC)CC2N1;RITWCZVXWPPLGU-UHFFFAOYSA-N;139.2;-0.26;;;;;DOPC;MDCG;27;1;"MARTINI bead: SNd_SNd";;;;;;;0.87;;-5.37;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM413682;MM413682;CN=c1[nH]c(C=O)no1;LXHJRHHSHGRXSI-UHFFFAOYSA-N;127.1;-0.65;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP2_SP1";;;;;;;-1.06;;-9.05;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM413683;MM413683;COC(=NN)C(C)=C(C)F;BCLHRRPLCJMTCT-UHFFFAOYSA-N;146.17;1.17;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_C3";;;;;;;1.74;;0.29;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM413684;MM413684;C=CC(CN)C(=C)C#CC;VWLGIQCPWDIVQI-UHFFFAOYSA-N;135.21;1.33;;;;;DOPC;MDCG;27;1;"MARTINI bead: C4_Nd";;;;;;;2.2;;-2.12;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM413685;MM413685;CNN=c1nc(C)nco1;IEPJXGXBWSLDPS-UHFFFAOYSA-N;140.15;-0.59;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_SP3";;;;;;;-2.2;;-5.19;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM413686;MM413686;C=CC1=CN(C)C(=N)CC1;GDKWNMFLZDBOLW-UHFFFAOYSA-N;136.2;1.76;;;;;DOPC;MDCG;27;1;"MARTINI bead: SN0_SNd";;;;;;;1.17;;-5.34;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM413687;MM413687;CCCn1ccc(CC)n1;UIGQYGPAPIIYBQ-UHFFFAOYSA-N;138.21;1.86;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC5_SN0";;;;;;;1.94;;0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM413688;MM413688;CNN=c1o[nH]c(=O)n1C;PKASXBNQCDCCFZ-UHFFFAOYSA-N;144.13;-1.66;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_SP2";;;;;;;-1.34;;-4.31;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM413689;MM413689;CNC12CC(NN)=NC1C2;GKNYNASXHYLSQG-UHFFFAOYSA-N;140.19;-1.02;;;;;DOPC;MDCG;27;1;"MARTINI bead: SNd_SNd";;;;;;;0.87;;-3.65;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM413690;MM413690;C=C(C#CC)C(C#N)CO;SERKATBDIBTQJL-UHFFFAOYSA-N;135.17;0.7;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4_P2";;;;;;;1.09;;-0.38;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM413691;MM413691;CN1C=C(C=O)CCC1=N;AEKDUVDSGPQAJX-UHFFFAOYSA-N;138.17;0.77;;;;;DOPC;MDCG;27;1;"MARTINI bead: SP1_SNd";;;;;;;0.04;;-6.31;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM413692;MM413692;C#CC(C#C)(C#N)NN=C;QHKRROPUAFKRDP-UHFFFAOYSA-N;131.14;-0.28;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_N0";;;;;;;0.34;;-1.53;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM413693;MM413693;C#CCCCC(O)C(C)C;GKQFAEWIEFUNGY-UHFFFAOYSA-N;140.23;1.81;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda_C3";;;;;;;2.57;;0.44;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM413694;MM413694;CNC1=NC2CC2(OC)C1;GHSKRVOKSAZVGY-UHFFFAOYSA-N;140.19;0.17;;;;;DOPC;MDCG;27;1;"MARTINI bead: SNd_SNa";;;;;;;0.87;;-4.57;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM413695;MM413695;CNN=c1o[nH]c(=O)n1N;HKVOBCWQUKDZHC-UHFFFAOYSA-N;145.12;-2.48;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP1_SP2";;;;;;;-1.06;;-3.82;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM413696;MM413696;C=C(C#CC)C(C=O)CF;ZMUNARBXCGXXJN-UHFFFAOYSA-N;140.16;1.35;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4_P1";;;;;;;1.37;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM413697;MM413697;CC(=O)CNN(C=N)C=O;SOYVFAKISTXGKY-UHFFFAOYSA-N;143.15;-0.85;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_P4";;;;;;;-2.01;;-5.13;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM413698;MM413698;CCCn1ccc(CF)n1;IQUABIACIHQMLJ-UHFFFAOYSA-N;142.18;1.76;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC5_SNa";;;;;;;1.64;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM413699;MM413699;CN1C=C(C#N)CCC1=N;SOLXAOAHZZJGIF-UHFFFAOYSA-N;135.17;1.1;;;;;DOPC;MDCG;27;1;"MARTINI bead: SN0_SNd";;;;;;;1.17;;-4.44;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM413700;MM413700;CON=c1o[nH]c(=O)n1C;DHUQSTRENSKEQJ-UHFFFAOYSA-N;145.12;-1.23;;;;;DOPC;MDCG;27;0;"MARTINI bead: P3_SP2";;;;;;;-2.2;;-5.19;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM413701;MM413701;CC=C1CC2(CC)CC2O1;KNNZTZVVZFLCMM-UHFFFAOYSA-N;138.21;2.48;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC3_SC5";;;;;;;3.34;;0.48;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM413702;MM413702;C=CC(CC)C(=O)C#CC;SKSLMDUXMOQKBE-UHFFFAOYSA-N;136.19;1.79;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1_C5";;;;;;;3.68;;0.46;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM413703;MM413703;C=CC1=CN(C)C(=O)CC1;RBCUYOQCSQCRGY-UHFFFAOYSA-N;137.18;1.31;;;;;DOPC;MDCG;27;0;"MARTINI bead: SN0_SP1";;;;;;;0.34;;-1.53;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM413704;MM413704;CNCCN=C(C=O)NC;MEESPCZNCUKXSF-UHFFFAOYSA-N;143.19;-0.98;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1_P1";;;;;;;-0.79;;-4.49;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM413705;MM413705;CCCn1ccc(OC)n1;VGOQEQGXQUUSEG-UHFFFAOYSA-N;140.19;1.3;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC5_SNa";;;;;;;1.64;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM413706;MM413706;N#CC(=O)C(C#N)C=O;MWVHDONRIBDSJG-UHFFFAOYSA-N;122.08;-0.58;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_P1";;;;;;;0.04;;-8.39;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM413707;MM413707;CC=C1CC2(CN)CC2O1;ROXJBMJYDHRBFE-UHFFFAOYSA-N;139.2;1.03;;;;;DOPC;MDCG;27;1;"MARTINI bead: SC5_SP1";;;;;;;0.81;;-2.89;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM413708;MM413708;CC#CC(=O)C(C#N)CC;ONQGARNXQYHLPO-UHFFFAOYSA-N;135.17;1.13;;;;;DOPC;MDCG;27;0;"MARTINI bead: N0_C5";;;;;;;1.94;;0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM413709;MM413709;CN1C=C(C=O)CCC1=O;HZHCSAIOSBKXLZ-UHFFFAOYSA-N;139.15;0.32;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP1_SP1";;;;;;;-0.79;;-3.13;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM413710;MM413710;C=CC=C1CCC(=C)C1C;IIMODCJEWQVLNW-UHFFFAOYSA-N;134.22;3.08;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC3_SC2";;;;;;;4.53;;0.32;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM413711;MM413711;C=C(CF)N(C=O)C=NN;MJOPWASZYCLJSC-UHFFFAOYSA-N;145.14;-0.17;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_Na";;;;;;;-0.24;;-3.24;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM413712;MM413712;CNCCN=C(C#N)NC;WSALSECAZHGMBT-UHFFFAOYSA-N;140.19;-0.65;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_P2";;;;;;;-0.24;;-4.61;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM413713;MM413713;CCCn1cnc(CC)n1;QFYSJOZMHQSTJC-UHFFFAOYSA-N;139.2;1.25;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNa_SNa";;;;;;;0.87;;-2.22;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM413714;MM413714;C=CC(NC)C(=C)C#CC;RTDDUODGJGCHLD-UHFFFAOYSA-N;135.21;1.34;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_N0";;;;;;;1.17;;-2.2;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM413715;MM413715;CN1C=C(C#N)CCC1=O;HQRGOVIKTBMVMG-UHFFFAOYSA-N;136.15;0.65;;;;;DOPC;MDCG;27;0;"MARTINI bead: SN0_SP1";;;;;;;0.34;;-1.53;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM413716;MM413716;CC1C(=O)CCC1=CC#N;AJAMRYNSMFOIIA-UHFFFAOYSA-N;135.17;1.44;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNa_SC5";;;;;;;1.64;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM413717;MM413717;C=C(C)C(C)COC=NN;CCTOQDFLIVCZSH-UHFFFAOYSA-N;142.2;1.12;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1_P1";;;;;;;2.08;;0.48;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM413718;MM413718;CCC12CC(=NO)OC1C2;AUGLXLZJNPHJKX-UHFFFAOYSA-N;141.17;1.36;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC3_SP1";;;;;;;1.74;;0.29;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM413719;MM413719;CNCCN=C(C=O)NO;GRADNRHREGYQGG-UHFFFAOYSA-N;145.16;-1.22;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1_P2";;;;;;;-1.06;;-5.18;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM413720;MM413720;C=C(C#CC)C(C#N)OC;JNRTZSREELVMBE-UHFFFAOYSA-N;135.17;1.1;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_C4";;;;;;;1.37;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM413721;MM413721;C=CCC1C=CC(CC)=C1;XGZPQZXHGZOXOV-UHFFFAOYSA-N;134.22;3.08;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC3_SC3";;;;;;;4.27;;0.2;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM413722;MM413722;CC1C(=O)NCC1=CC#N;MLJSMRCOQVTISX-UHFFFAOYSA-N;136.15;0.2;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP1_SP1";;;;;;;-0.79;;-3.13;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM413723;MM413723;C=CC1=CN(N)C(=N)CC1;WJNDBYVUFDQOPC-UHFFFAOYSA-N;137.19;1;;;;;DOPC;MDCG;27;1;"MARTINI bead: SN0_SP1";;;;;;;0.34;;-4.53;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM413724;MM413724;CNCCN=C(C#N)NO;GNKYLQBJKIANTL-UHFFFAOYSA-N;142.16;-0.89;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_P3";;;;;;;-1.1;;-5.39;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM413725;MM413725;NCC12CC(=NO)OC1C2;SMZWGQLJXBRHAI-UHFFFAOYSA-N;142.16;-0.09;;;;;DOPC;MDCG;27;1;"MARTINI bead: SNd_SP1";;;;;;;0.04;;-4.81;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM413726;MM413726;CC#CC(=O)C(C=O)OC;WTDLKUSVBSVCLO-UHFFFAOYSA-N;140.14;-0.21;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_C5";;;;;;;0.81;;-0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM413727;MM413727;C=C1OCC(=CC#N)C1C;HHIGYVDCYASVPW-UHFFFAOYSA-N;135.17;1.62;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC5_SN0";;;;;;;1.94;;0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM413728;MM413728;C=CCC1C=CC(CN)=C1;QVAKBZHPJZOWEU-UHFFFAOYSA-N;135.21;1.63;;;;;DOPC;MDCG;27;1;"MARTINI bead: SNd_SC3";;;;;;;2.57;;-0.93;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM413729;MM413729;C=CC1=CN(N)C(=O)CC1;VKBZBGZRHJHFRJ-UHFFFAOYSA-N;138.17;0.55;;;;;DOPC;MDCG;27;0;"MARTINI bead: SN0_SP1";;;;;;;0.34;;-1.53;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM413730;MM413730;CC=C1CC2(NC)CC2O1;BPQOORYCCIAMMX-UHFFFAOYSA-N;139.2;1.04;;;;;DOPC;MDCG;27;1;"MARTINI bead: SNd_SC5";;;;;;;1.64;;-1.68;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM413731;MM413731;C=CC(=NCCOC)NC;JCEYHJXCOSNTDI-UHFFFAOYSA-N;142.2;0.44;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_Na";;;;;;;0.87;;-5.6;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM413732;MM413732;CC#CC(=O)C(C#N)OC;JGEUVHRCXUDFJO-UHFFFAOYSA-N;137.14;0.12;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_C5";;;;;;;0.81;;-0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM413733;MM413733;CC1C(=O)OCC1=CC#N;QDCBNONZLHFABN-UHFFFAOYSA-N;137.14;0.63;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNa_SN0";;;;;;;1.17;;-1.18;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM413734;MM413734;C=CC1=CN(O)C(=N)CC1;DCXNCYRBMZXTRV-UHFFFAOYSA-N;138.17;1.52;;;;;DOPC;MDCG;27;1;"MARTINI bead: SN0_SP1";;;;;;;0.34;;-3.11;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM413735;MM413735;O=CCC1C=CC(CO)=C1;YPQWMTXLEUWURU-UHFFFAOYSA-N;138.17;0.68;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNda_SNa";;;;;;;0.87;;-1.99;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM413736;MM413736;CNC(C=O)=NCCOC;MAAGKWBWFNTFMU-UHFFFAOYSA-N;144.17;-0.55;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_Nda";;;;;;;-0.24;;-3.31;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM413737;MM413737;C=CN(CC)C(=O)C#CC;ZQAWVJHQRHOXFJ-UHFFFAOYSA-N;137.18;1;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nd_C5";;;;;;;1.64;;0.02;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM413738;MM413738;CNC12CC(=NO)OC1C2;VIQFJDSMUDULKA-UHFFFAOYSA-N;142.16;-0.08;;;;;DOPC;MDCG;27;1;"MARTINI bead: SNd_SP1";;;;;;;0.04;;-3.87;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM413739;MM413739;C=CC1=CN(O)C(=O)CC1;KFRAXUSGEQUQJV-UHFFFAOYSA-N;139.15;1.07;;;;;DOPC;MDCG;27;0;"MARTINI bead: SN0_SP1";;;;;;;0.34;;-1.53;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM413740;MM413740;CN1C(=O)CCC1=CC#N;NQCOQBCUJRGTQK-UHFFFAOYSA-N;136.15;0.65;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP1_SN0";;;;;;;0.34;;-1.53;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM413741;MM413741;C=CCC1C=CC(CF)=C1;VXOXNSSPRRSBQR-UHFFFAOYSA-N;138.19;2.64;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC5_SC3";;;;;;;3.34;;0.48;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM413742;MM413742;CC#CC(=O)N(C=N)CC;GLQKBYPCZCHPKA-UHFFFAOYSA-N;138.17;0.47;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_C5";;;;;;;0.54;;-1.09;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM413743;MM413743;CCC12CC1CC(=NC)N2;AFVUMSZXMLHPBX-UHFFFAOYSA-N;138.21;1.18;;;;;DOPC;MDCG;27;1;"MARTINI bead: SC3_SNd";;;;;;;2.57;;-2.41;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM413744;MM413744;C=CN(C=N)N=CC(C)=O;AGZSROGSEXAQJC-UHFFFAOYSA-N;139.16;0.61;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_P2";;;;;;;-0.24;;-3.24;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM413745;MM413745;C=NN=c1[nH][nH]c(=O)n1N;JRFZEQZMEZTSCT-UHFFFAOYSA-N;142.12;-2.27;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP4_SP2";;;;;;;-2.29;;-5.95;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM413746;MM413746;C=CC1=NN(C)C(=O)CC1;JXUHSSVZYZQLPJ-UHFFFAOYSA-N;138.17;0.78;;;;;DOPC;MDCG;27;0;"MARTINI bead: SN0_SP1";;;;;;;0.34;;-1.53;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM413747;MM413747;N#CCC1C=CC(CF)=C1;NBSIJVMCKDNHNU-UHFFFAOYSA-N;137.16;1.98;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC5_SN0";;;;;;;1.94;;0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM413748;MM413748;C=CC(=NNCCC)NC;MEDUXRNRXFYYET-UHFFFAOYSA-N;141.22;0.7;;;;;DOPC;MDCG;27;1;"MARTINI bead: C5_P2";;;;;;;0.54;;-3.31;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM413749;MM413749;CCC12CC1CC(=NN)N2;DGHXXKQTHZYXKC-UHFFFAOYSA-N;139.2;0.42;;;;;DOPC;MDCG;27;1;"MARTINI bead: SC3_SNd";;;;;;;2.57;;-0.17;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM413750;MM413750;CC#CC(=O)N(C=O)CC;IHOQUGXYHJXTOR-UHFFFAOYSA-N;139.15;0.01;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_C5";;;;;;;0.81;;-0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM413751;MM413751;CN1N=C(C=O)CCC1=O;HDDJCTBNVGZGOO-UHFFFAOYSA-N;140.14;-0.21;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP1_SP1";;;;;;;-0.79;;-3.13;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM413752;MM413752;N=CN=c1o[nH]c(=O)n1N;DOSHJPGPDDRCCW-UHFFFAOYSA-N;143.11;-2.01;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP2_SP1";;;;;;;-1.06;;-3.82;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM413753;MM413753;COC1=CC(CC=O)C=C1;OVIMTXKBZYARPB-UHFFFAOYSA-N;138.17;1.29;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNa_SNa";;;;;;;0.87;;-2.22;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM413754;MM413754;C=CC(=NC)NNCCN;GSCZNGYTYIXOPR-UHFFFAOYSA-N;142.21;-0.75;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_P4";;;;;;;-1.19;;-7.51;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM413755;MM413755;C=NN(CC)C(=O)C#CC;RRQWYOCHYJGJEV-UHFFFAOYSA-N;138.17;0.47;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_C5";;;;;;;0.81;;-0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM413756;MM413756;C=C(OC)N(C=O)C=NN;FFESXSQKMWPSRU-UHFFFAOYSA-N;143.15;-0.54;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_P4";;;;;;;-1.19;;-4.76;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM413757;MM413757;CN1N=C(C#N)CCC1=O;GYWZRLGAAXGRCU-UHFFFAOYSA-N;137.14;0.12;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP1_SP1";;;;;;;-0.79;;-3.13;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM413758;MM413758;CC=CC(C)ON=CCF;DEVVLPSRPNEMTJ-UHFFFAOYSA-N;145.18;1.92;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1_P1";;;;;;;2.08;;0.48;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM413759;MM413759;C=CC(=NC)NNCCO;XGJAKERLZSAJFT-UHFFFAOYSA-N;143.19;-0.71;;;;;DOPC;MDCG;27;1;"MARTINI bead: N0_P3";;;;;;;-0.8;;-5.73;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM413760;MM413760;C=C(C#CC)N(C=N)NC;ROFCJILEPQKBPZ-UHFFFAOYSA-N;137.19;0.57;;;;;DOPC;MDCG;27;1;"MARTINI bead: P4_C4";;;;;;;0.15;;-3.79;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM413761;MM413761;COC1=CC(CC#N)C=C1;DFOUEWUNFPDQJR-UHFFFAOYSA-N;135.17;1.62;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNa_SN0";;;;;;;1.17;;-1.18;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM413762;MM413762;CN=C1CC2CC2(CN)N1;DJDSFLNRMFSRGF-UHFFFAOYSA-N;139.2;-0.27;;;;;DOPC;MDCG;27;1;"MARTINI bead: SNd_SP2";;;;;;;-0.24;;-6.54;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM413763;MM413763;C#CC1=CN(C)C(=N)CC1;UGINCBYDEHBZPV-UHFFFAOYSA-N;134.18;1.21;;;;;DOPC;MDCG;27;1;"MARTINI bead: SP1_SNd";;;;;;;0.04;;-6.46;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM413764;MM413764;C=NN=c1o[nH]c(=N)n1O;QPUVZUICEYXBMD-UHFFFAOYSA-N;143.11;-1.36;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP1_SP1";;;;;;;-0.79;;-3.13;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM413765;MM413765;C=CC(=NNCCN)NO;PUHKEDZLTGMQGV-UHFFFAOYSA-N;144.18;-0.99;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1_P1";;;;;;;-0.79;;-4.45;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM413766;MM413766;C=C(C#CC)N(C=O)NC;GOGCBAKMZNKOAI-UHFFFAOYSA-N;138.17;0.12;;;;;DOPC;MDCG;27;0;"MARTINI bead: P4_C4";;;;;;;0.15;;-2.18;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM413767;MM413767;CCC1=CC(NC=N)C=C1;QEPYEFGLUPAFOP-UHFFFAOYSA-N;136.2;1.46;;;;;DOPC;MDCG;27;1;"MARTINI bead: SC3_SNd";;;;;;;2.57;;-1.71;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM413768;MM413768;CN=C1CC2CC2(CO)N1;LQXHQPWIXYBZSE-UHFFFAOYSA-N;140.19;-0.24;;;;;DOPC;MDCG;27;1;"MARTINI bead: SNd_SP1";;;;;;;0.04;;-5.78;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM413769;MM413769;C#CC1=CN(C)C(=O)CC1;HCPJHYWNOIYGFK-UHFFFAOYSA-N;135.17;0.76;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP1_SP1";;;;;;;-0.79;;-3.13;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM413770;MM413770;C#CC=C1CCC(=C)C1C;CVPJACURONOWPS-UHFFFAOYSA-N;132.21;2.53;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC3_SC4";;;;;;;3.9;;0.47;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM413771;MM413771;CC#CC(=N)N(C=O)NC;ALVMOPXHRCCMHV-UHFFFAOYSA-N;139.16;-0.42;;;;;DOPC;MDCG;27;0;"MARTINI bead: P5_N0";;;;;;;-0.81;;-4.41;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM413772;MM413772;CCC(O)C(C)CCC#N;PQFVQHJDKHPLBK-UHFFFAOYSA-N;141.21;1.7;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda_C5";;;;;;;1.64;;0.05;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM413773;MM413773;N=CNC1C=CC(CN)=C1;IAQSVWKZRDFGBQ-UHFFFAOYSA-N;137.19;0.01;;;;;DOPC;MDCG;27;1;"MARTINI bead: SNd_SNd";;;;;;;0.87;;-8.25;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM413774;MM413774;NNC1=NC2(CO)CC2C1;QITKJOTYRVNHGE-UHFFFAOYSA-N;141.17;-1;;;;;DOPC;MDCG;27;1;"MARTINI bead: SNd_SNda";;;;;;;0.87;;-3.31;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM413775;MM413775;C#CC1=CN(N)C(=N)CC1;WAHUGQURXMRFNO-UHFFFAOYSA-N;135.17;0.45;;;;;DOPC;MDCG;27;1;"MARTINI bead: SP1_SP1";;;;;;;-0.79;;-5.68;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM413776;MM413776;C#CC=C1CCC(=O)C1C;YASICKYOUYFJEQ-UHFFFAOYSA-N;134.18;1.55;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNa_SC4";;;;;;;2.2;;0.34;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM413777;MM413777;CC#CC(=O)N(C=O)NC;IXCPKCQTFCFACT-UHFFFAOYSA-N;140.14;-0.87;;;;;DOPC;MDCG;27;0;"MARTINI bead: P4_C5";;;;;;;-0.41;;-2.78;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM413778;MM413778;N=CNC1C=CC(CO)=C1;YGLVZYZUILPAJB-UHFFFAOYSA-N;138.17;0.04;;;;;DOPC;MDCG;27;1;"MARTINI bead: SNda_SNd";;;;;;;0.87;;-7.99;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM413779;MM413779;C#CCC=NNC(=N)C=O;IUASYVYSPMEOSR-UHFFFAOYSA-N;137.14;-0.24;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_N0";;;;;;;0.34;;-1.53;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM413780;MM413780;CN=C1CC2CC2(CF)N1;KCGHILJNSPRSTD-UHFFFAOYSA-N;142.18;0.74;;;;;DOPC;MDCG;27;1;"MARTINI bead: SNd_SNa";;;;;;;0.87;;-4.92;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM413781;MM413781;C#CC1=CN(N)C(=O)CC1;LIDSRHBOHPCVPH-UHFFFAOYSA-N;136.15;;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP1_SP1";;;;;;;-0.79;;-3.13;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM413782;MM413782;C#CC=C1CNC(=N)C1C;AVUDVMFJVNCDCW-UHFFFAOYSA-N;134.18;0.76;;;;;DOPC;MDCG;27;1;"MARTINI bead: SNd_SN0";;;;;;;1.17;;-5.16;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM413783;MM413783;C=C(C)C(=C)COC=NN;CNNJNFCOBDXBHH-UHFFFAOYSA-N;140.19;1.04;;;;;DOPC;MDCG;27;0;"MARTINI bead: C3_P1";;;;;;;1.74;;0.29;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM413784;MM413784;C=C(C#CC)N(C=O)OC;VFFGZCMDGVSVLD-UHFFFAOYSA-N;139.15;0.54;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_C4";;;;;;;1.09;;-0.38;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM413785;MM413785;CC=NNC1CC1(F)C#N;ARQPIDLMPBXUAG-UHFFFAOYSA-N;141.15;0.59;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nd_SNa";;;;;;;0.87;;-1.88;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM413786;MM413786;NNC1=NC2(CF)CC2C1;HELXDMPYZNWBAQ-UHFFFAOYSA-N;143.17;-0.02;;;;;DOPC;MDCG;27;1;"MARTINI bead: SNd_SNa";;;;;;;0.87;;-3.15;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM413787;MM413787;C#CC1=CN(O)C(=N)CC1;IMYBCRSOQLASRO-UHFFFAOYSA-N;136.15;0.97;;;;;DOPC;MDCG;27;1;"MARTINI bead: SP1_SP1";;;;;;;-0.79;;-4.24;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM413788;MM413788;C#CC=C1COC(=C)C1C;JXLSRKIHYLLRDM-UHFFFAOYSA-N;134.18;1.73;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC5_SN0";;;;;;;1.94;;0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM413789;MM413789;NN=COC=C(F)C(F)F;GBNDXBOLRCJNMY-UHFFFAOYSA-N;154.09;0.98;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda_N0";;;;;;;1.17;;-1.13;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM413790;MM413790;C=CN(OC)C(=O)C#CC;MZKCXFVGBUJCFX-UHFFFAOYSA-N;139.15;0.54;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_C5";;;;;;;0.81;;-0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM413791;MM413791;N#CC(=NNCCO)NO;GYKVGCJIPGPVQB-UHFFFAOYSA-N;144.13;-1.62;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_P1";;;;;;;-0.79;;-3.13;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM413792;MM413792;COC(=O)N(C=N)C=NN;OIWRIKZLYADWBA-UHFFFAOYSA-N;144.13;-0.44;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_P1";;;;;;;-1.06;;-3.82;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM413793;MM413793;C#CC1=NN(C)C(=O)CC1;VBKNSVJHCNWDPR-UHFFFAOYSA-N;136.15;0.23;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP1_SP1";;;;;;;-0.79;;-3.13;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM413794;MM413794;C#CC=C1COC(=O)C1C;MWEXMQXNLWANQW-UHFFFAOYSA-N;136.15;0.74;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNa_SN0";;;;;;;1.17;;-1.18;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM413795;MM413795;C=CCn1ccc(CC)c1;KXFQGUYHMUBLEB-UHFFFAOYSA-N;135.21;2.24;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC5_SC5";;;;;;;2.41;;0.64;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM413796;MM413796;C#CC(CC)C(=C)C#CC;DFRVHFDLWLDLFM-UHFFFAOYSA-N;132.21;2.23;;;;;DOPC;MDCG;27;0;"MARTINI bead: C3_C4";;;;;;;3.9;;0.47;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM413797;MM413797;C#CC(C#N)=CNN=CC;WQKJDWMASNVLGP-UHFFFAOYSA-N;133.15;0.62;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nd_N0";;;;;;;1.17;;-1.04;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM413798;MM413798;C=C1C=C(CC)CCC1C;JKJIYJPZYRSZLG-UHFFFAOYSA-N;136.24;3.31;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC1_SC2";;;;;;;4.87;;0.53;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM413799;MM413799;CCC12CC1NC(=NC)N2;ZNIGLYCOSHNKBA-UHFFFAOYSA-N;139.2;0.09;;;;;DOPC;MDCG;27;1;"MARTINI bead: SC3_SP1";;;;;;;1.74;;-3.44;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM413800;MM413800;C#CC=C1CCC(=O)N1N;OBIUMIUNUFLAQL-UHFFFAOYSA-N;136.15;;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP2_SN0";;;;;;;0.06;;-2.21;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM413801;MM413801;C#CC(CC)C(=O)C#CC;YWURUNPBPUBMFA-UHFFFAOYSA-N;134.18;1.24;;;;;DOPC;MDCG;27;0;"MARTINI bead: C3_C5";;;;;;;3.34;;0.48;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM413802;MM413802;CCc1ccn(CC#N)c1;YRFCPJSNWFFLCS-UHFFFAOYSA-N;134.18;1.57;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC5_SN0";;;;;;;1.94;;0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM413803;MM413803;Cc1noc(=NN)nc1N;IJCANEDUCUYCRT-UHFFFAOYSA-N;141.13;-1.27;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP3_SP2";;;;;;;-2.2;;-5.19;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM413804;MM413804;C=C1C=C(CN)CCC1N;GZVJHOVZIUCFSR-UHFFFAOYSA-N;138.21;0.55;;;;;DOPC;MDCG;27;1;"MARTINI bead: SNd_SNd";;;;;;;0.87;;-4.78;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM413805;MM413805;CCC12CC1NC(=NN)N2;CHDZALHDNZLEGO-UHFFFAOYSA-N;140.19;-0.67;;;;;DOPC;MDCG;27;1;"MARTINI bead: SC3_SP2";;;;;;;1.46;;-2.7;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM413806;MM413806;C#CC=C1CNC(=N)N1N;HWPFAIINZXACSL-UHFFFAOYSA-N;136.16;-0.78;;;;;DOPC;MDCG;27;1;"MARTINI bead: SP2_SP2";;;;;;;-1.34;;-7.44;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM413807;MM413807;C#CC(CF)C(=O)C#CC;CIAVAOWPBXYIME-UHFFFAOYSA-N;138.14;0.8;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_Na";;;;;;;1.64;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM413808;MM413808;C=CCn1ccc(CN)c1;UELSGXYVUPLQFU-UHFFFAOYSA-N;136.2;1.13;;;;;DOPC;MDCG;27;1;"MARTINI bead: SP1_SC5";;;;;;;0.81;;-2.4;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM413809;MM413809;CCCON=C(C=O)NO;PRJJOLVPNNHLKK-UHFFFAOYSA-N;146.15;-0.1;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_P2";;;;;;;-0.24;;-3.24;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM413810;MM413810;C=C1C=C(CN)CCC1F;SYRFQJSHKWKKOQ-UHFFFAOYSA-N;141.19;1.56;;;;;DOPC;MDCG;27;1;"MARTINI bead: SNd_SC4";;;;;;;2.2;;-1.66;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM413811;MM413811;CN=C1NC2CC2(CN)N1;BXHVFPVPRJXTMM-UHFFFAOYSA-N;140.19;-1.37;;;;;DOPC;MDCG;27;1;"MARTINI bead: SP1_SP3";;;;;;;-1.93;;-8.4;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM413812;MM413812;CCC=C1CCN(C)C1=N;HTTDHPKUCRTERJ-UHFFFAOYSA-N;138.21;1.64;;;;;DOPC;MDCG;27;1;"MARTINI bead: SN0_SNd";;;;;;;1.17;;-5.7;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM413813;MM413813;C#CC(OC)C(=C)C#CC;PLUKFXMKVZNRRU-UHFFFAOYSA-N;134.18;1.21;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_C4";;;;;;;2.2;;0.34;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM413814;MM413814;O=CC(=NOCCO)NO;VQHUNTZJHJLCBR-UHFFFAOYSA-N;148.12;-1.51;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_P3";;;;;;;-1.93;;-4.72;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM413815;MM413815;C=CCn1ccc(CO)c1;FWLAJDJNQRWQEN-UHFFFAOYSA-N;137.18;1.17;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNda_SC5";;;;;;;1.64;;0.05;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM413816;MM413816;C=C1C=C(OC)CCC1C;DMLCXFLGCVYQFD-UHFFFAOYSA-N;138.21;2.5;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC5_SC2";;;;;;;3.6;;0.34;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM413817;MM413817;CN=C1NC2CC2(CO)N1;NFWWQQKVBJPFLE-UHFFFAOYSA-N;141.17;-1.33;;;;;DOPC;MDCG;27;1;"MARTINI bead: SP1_SP3";;;;;;;-1.93;;-8.05;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM413818;MM413818;C#CC=C1CCN(C)C1=N;XELPXDHXTUAVDX-UHFFFAOYSA-N;134.18;0.86;;;;;DOPC;MDCG;27;1;"MARTINI bead: SNd_SN0";;;;;;;1.17;;-5.08;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM413819;MM413819;C=CC(C=C)C(=C)C#CC;WWXKARRNIZVGPH-UHFFFAOYSA-N;132.21;2.55;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4_C2";;;;;;;4.16;;0.44;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM413820;MM413820;N#CC(=NOCCO)NO;CKMNFIVTMOWGDP-UHFFFAOYSA-N;145.12;-1.19;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_P1";;;;;;;-0.79;;-3.13;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM413821;MM413821;N#CCn1ccc(CO)c1;ATLKKXSXABYYFZ-UHFFFAOYSA-N;136.15;0.5;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNda_SN0";;;;;;;1.17;;-1.13;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM413822;MM413822;C=CC(=N)N(C=O)C=NN;ZYMYLBUDZCQCCJ-UHFFFAOYSA-N;140.15;-0.49;;;;;DOPC;MDCG;27;0;"MARTINI bead: P3_N0";;;;;;;-0.8;;-2.99;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM413823;MM413823;C=C1C=C(OC)CCC1O;QONSUFSLRMAFAY-UHFFFAOYSA-N;140.18;1.23;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC5_SNda";;;;;;;1.64;;0.05;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM413824;MM413824;C=CC(C=O)C(=C)C#CC;DWRWIUNOCWAVMM-UHFFFAOYSA-N;134.18;1.57;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4_Na";;;;;;;2.2;;0.34;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM413825;MM413825;C#CC=C1CCN(N)C1=N;UGTZVIPKUUIKKQ-UHFFFAOYSA-N;135.17;0.1;;;;;DOPC;MDCG;27;1;"MARTINI bead: SP2_SN0";;;;;;;0.06;;-4.39;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM413826;MM413826;COCON=C(C=O)NO;WQEQRQZHDQDRJL-UHFFFAOYSA-N;148.12;-0.9;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_P2";;;;;;;-1.34;;-4.31;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM413827;MM413827;C=CCn1ccc(CF)c1;RKLIDXPTLHMZFA-UHFFFAOYSA-N;139.17;2.14;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNa_SC5";;;;;;;1.64;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM413828;MM413828;CCC1=CC(=O)C(C)CN1;IEMDKETVGOPOQW-UHFFFAOYSA-N;139.2;1.09;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC5_SP1";;;;;;;0.81;;-0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM413829;MM413829;C=CC(=O)N(C=N)C=NN;NCPFYTRWYGVRTF-UHFFFAOYSA-N;140.15;-0.49;;;;;DOPC;MDCG;27;0;"MARTINI bead: P3_N0";;;;;;;-0.8;;-2.99;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM413830;MM413830;C=CC(C#N)C(=C)C#CC;QWYQCAWVMHMOML-UHFFFAOYSA-N;131.18;1.89;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4_N0";;;;;;;2.5;;0.44;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM413831;MM413831;C#CC=C1CCN(N)C1=O;NQIXQKWZECNLPN-UHFFFAOYSA-N;136.15;-0.35;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP2_SN0";;;;;;;0.06;;-2.21;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM413832;MM413832;COCON=C(C#N)NO;GKADSMAFWPLSIP-UHFFFAOYSA-N;145.12;-0.58;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_P1";;;;;;;-0.79;;-3.13;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM413833;MM413833;N#CCn1ccc(CF)c1;SIKHQLSJPWQZHH-UHFFFAOYSA-N;138.15;1.48;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNa_SN0";;;;;;;1.17;;-1.18;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM413834;MM413834;CCC1=CC(=O)C(O)CN1;KEHZDUQGFVOPKG-UHFFFAOYSA-N;141.17;-0.19;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC5_SP3";;;;;;;-0.33;;-2.01;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM413835;MM413835;CC=C1CC2CC2(CC)O1;QUTRBTHDSGTSSI-UHFFFAOYSA-N;138.21;2.48;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC3_SC5";;;;;;;3.34;;0.48;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM413836;MM413836;C=C(C#CC)C(C#N)C=O;ROJMMRSGFDFMTR-UHFFFAOYSA-N;133.15;0.9;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4_Na";;;;;;;2.2;;0.34;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM413837;MM413837;C#CC=C1CNN(C)C1=N;OPYYWMBSEYFLOK-UHFFFAOYSA-N;135.17;-0.03;;;;;DOPC;MDCG;27;1;"MARTINI bead: SP3_SP2";;;;;;;-2.2;;-7.35;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM413838;MM413838;C=CCn1ccc(NC)c1;UNZZQQCIHOWSER-UHFFFAOYSA-N;136.2;1.72;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNd_SC5";;;;;;;1.64;;0.02;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM413839;MM413839;C=CC(=CC)OCCCC;AWGXCOUARMVBJS-UHFFFAOYSA-N;140.23;2.89;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1_C5";;;;;;;3.68;;0.46;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM413840;MM413840;C=C1C=C(CC)OCC1C;QOYTWCDYGDYNQO-UHFFFAOYSA-N;138.21;2.5;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC4_SC4";;;;;;;3.53;;0.53;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM413841;MM413841;CCC12CC1CC(=CF)O2;YCILGIBRAUXIKG-UHFFFAOYSA-N;142.17;2.39;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC3_SNa";;;;;;;2.57;;0.45;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM413842;MM413842;C=C(C#CC)C(C#N)C#N;NUVGUTHUNOOCEN-UHFFFAOYSA-N;130.15;1.23;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4_P2";;;;;;;1.09;;-0.37;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM413843;MM413843;CNc1ccn(CC#N)c1;BNGOBUOKYQHORT-UHFFFAOYSA-N;135.17;1.05;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNd_SN0";;;;;;;1.17;;-1.04;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM413844;MM413844;C#CC=C1CNN(C)C1=O;MBDSMRFEGHDLLP-UHFFFAOYSA-N;136.15;-0.48;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP3_SP2";;;;;;;-2.2;;-5.19;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM413845;MM413845;C=CC(=CC)OCCCN;WZTNOTNCAVKEIF-UHFFFAOYSA-N;141.21;1.44;;;;;DOPC;MDCG;27;1;"MARTINI bead: C5_Nd";;;;;;;1.64;;-2.63;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM413846;MM413846;N=C1N=C(NN)NCC1F;YZIZXSSSSRKPNH-UHFFFAOYSA-N;145.14;-1.28;;;;;DOPC;MDCG;27;1;"MARTINI bead: SP2_SP2";;;;;;;-1.34;;-6.4;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM413847;MM413847;CC=C1CC2CC2(CN)O1;UMWURVXCIXDZQI-UHFFFAOYSA-N;139.2;1.03;;;;;DOPC;MDCG;27;1;"MARTINI bead: SC5_SP1";;;;;;;0.81;;-2.59;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM413848;MM413848;C=C1C(=O)CCC1=CCC;VJTWNIMEXTUHCX-UHFFFAOYSA-N;136.19;2.24;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC1_SNa";;;;;;;2.91;;0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM413849;MM413849;C=CC(C=O)C(=O)C#CC;QGFPRIQPGDMRIM-UHFFFAOYSA-N;136.15;0.58;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_Na";;;;;;;1.64;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM413850;MM413850;C=CCn1ccc(OC)c1;LBBYUNLWWZOZKL-UHFFFAOYSA-N;137.18;1.68;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNa_SC5";;;;;;;1.64;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM413851;MM413851;C=CC(=CC)OCCCO;JPDBGZVLSLQMQE-UHFFFAOYSA-N;142.2;1.48;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_Nda";;;;;;;1.64;;0.05;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM413852;MM413852;CCC1=CC(=N)N(C)CC1;AKUFENAKOUJZMN-UHFFFAOYSA-N;138.21;1.64;;;;;DOPC;MDCG;27;1;"MARTINI bead: SN0_SNd";;;;;;;1.17;;-5.64;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM413853;MM413853;NCC12CC1CC(=CF)O2;WKIWDDQJADIVHK-UHFFFAOYSA-N;143.16;0.94;;;;;DOPC;MDCG;27;1;"MARTINI bead: SNd_SNa";;;;;;;0.87;;-3.99;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM413854;MM413854;C=C1C(=N)NCC1=CCC;MFDZPUHVIMSOGX-UHFFFAOYSA-N;136.2;1.46;;;;;DOPC;MDCG;27;1;"MARTINI bead: SN0_SNd";;;;;;;1.17;;-4.67;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM413855;MM413855;C=CC(C#N)C(=O)C#CC;RYHKGMAHCRTDBZ-UHFFFAOYSA-N;133.15;0.9;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_N0";;;;;;;1.94;;0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM413856;MM413856;COc1ccn(CC#N)c1;NAOPGFRYSRPKNE-UHFFFAOYSA-N;136.15;1.02;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNa_SN0";;;;;;;1.17;;-1.18;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM413857;MM413857;CN1CCC(CN)=CC1=N;PGGLCJYAUNXNBM-UHFFFAOYSA-N;139.2;0.18;;;;;DOPC;MDCG;27;1;"MARTINI bead: SNd_SP2";;;;;;;-0.24;;-7.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM413858;MM413858;C=CC(=CF)OCCCO;YEBOWOFNBPWLMK-UHFFFAOYSA-N;146.16;1.38;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda_Na";;;;;;;0.87;;-1.99;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM413859;MM413859;CC=C1CC2CC2(CO)O1;AUHIALSGGJJSLO-UHFFFAOYSA-N;140.18;1.06;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC5_SP1";;;;;;;0.81;;-0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM413860;MM413860;C=C1C(=O)NCC1=CCC;JZJYYJJJRLHCIM-UHFFFAOYSA-N;137.18;1.01;;;;;DOPC;MDCG;27;0;"MARTINI bead: SN0_SP1";;;;;;;0.34;;-1.53;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM413861;MM413861;CC#CC(=O)C(C#N)C#N;HTYREZQJMWWHMH-UHFFFAOYSA-N;132.12;0.24;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_P2";;;;;;;0.54;;-1.09;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM413862;MM413862;CCc1ccn(NC=N)c1;FDVHOFOAFJULOQ-UHFFFAOYSA-N;137.19;1.2;;;;;DOPC;MDCG;27;1;"MARTINI bead: SC5_SP1";;;;;;;0.81;;-2.3;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM413863;MM413863;CC=C(C=O)OCCCC;AGXOXQDIBRFQCD-UHFFFAOYSA-N;142.2;1.91;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1_P1";;;;;;;2.08;;0.48;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM413864;MM413864;OCC12CC1CC(=CF)O2;LQOBHRSPLNEXOS-UHFFFAOYSA-N;144.15;0.97;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNda_SNa";;;;;;;0.87;;-1.99;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM413865;MM413865;CN1CCC(CO)=CC1=N;LWXVZNIZZPRWAC-UHFFFAOYSA-N;140.19;0.22;;;;;DOPC;MDCG;27;1;"MARTINI bead: SNd_SP1";;;;;;;0.04;;-6.97;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM413866;MM413866;C=CC=C1CCC(=C)C1=C;SLFKOATYJSJPSS-UHFFFAOYSA-N;132.21;3.01;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC2_SC4";;;;;;;4.16;;0.44;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM413867;MM413867;C=CN(C=C)C(=O)C#CC;AEVWHHRUJOUKGO-UHFFFAOYSA-N;135.17;1.13;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_Nd";;;;;;;1.64;;0.02;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM413868;MM413868;N=CNn1ccc(CN)c1;GYKGKDPZIDOBDC-UHFFFAOYSA-N;138.17;0.1;;;;;DOPC;MDCG;27;1;"MARTINI bead: SP1_SP1";;;;;;;-0.79;;-5.09;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM413869;MM413869;CC=C1CC2CC2(CF)O1;JSBPOZRUSHFHJB-UHFFFAOYSA-N;142.17;2.04;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC5_SNa";;;;;;;1.64;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM413870;MM413870;CC=C(C#N)OCCCC;QLAPRCQBHMNHHU-UHFFFAOYSA-N;139.2;2.23;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1_Na";;;;;;;2.91;;0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM413871;MM413871;CN1CCC(CF)=CC1=N;YLHKFBBTNIWVTR-UHFFFAOYSA-N;142.18;1.2;;;;;DOPC;MDCG;27;1;"MARTINI bead: SNd_SNa";;;;;;;0.87;;-6.21;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM413872;MM413872;C=C1CCC(=CC#N)C1=C;QPIMWNZQIUQAKX-UHFFFAOYSA-N;131.18;2.34;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC4_SC5";;;;;;;2.97;;0.45;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM413873;MM413873;N=CNn1ccc(CO)c1;USYLTYJHVWFSSL-UHFFFAOYSA-N;139.16;0.13;;;;;DOPC;MDCG;27;1;"MARTINI bead: SNda_SP1";;;;;;;0.04;;-4.49;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM413874;MM413874;C=CN(C=N)C(=O)C#CC;PUADUHZDWDNZSO-UHFFFAOYSA-N;136.15;0.59;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_P2";;;;;;;0.54;;-1.09;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM413875;MM413875;CC=C(C#N)OCCCO;QFONMIVMLARSLE-UHFFFAOYSA-N;141.17;0.81;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_Nda";;;;;;;0.87;;-1.99;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM413876;MM413876;C#CC(=N)N(C=O)C=NN;MDDQURIIHCESAK-UHFFFAOYSA-N;138.13;-1.04;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_P2";;;;;;;-1.06;;-3.82;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM413877;MM413877;C=CC=C1CCC(=O)C1=C;VIUAPRBIBHEQRE-UHFFFAOYSA-N;134.18;2.02;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC2_SNa";;;;;;;2.83;;0.35;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM413878;MM413878;CCC1=CC(=N)N(N)CC1;SGRQWJAIVIXVBQ-UHFFFAOYSA-N;139.2;0.88;;;;;DOPC;MDCG;27;1;"MARTINI bead: SN0_SP1";;;;;;;0.34;;-4.31;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM413879;MM413879;N=CNn1ccc(CF)c1;RUPXBABFVSLNAU-UHFFFAOYSA-N;141.15;1.11;;;;;DOPC;MDCG;27;1;"MARTINI bead: SNa_SP1";;;;;;;0.04;;-4.3;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM413880;MM413880;C=CN(C=O)C(=O)C#CC;QKIIZNXLQJPCCE-UHFFFAOYSA-N;137.14;0.14;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_P2";;;;;;;0.54;;-1.09;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM413881;MM413881;CC=C(C#N)OCCCF;YKANBKKKKYWSFO-UHFFFAOYSA-N;143.16;1.79;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_C4";;;;;;;2.2;;0.34;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM413882;MM413882;N=C1C=C(CO)CCN1N;YICTZDXNLBZQPI-UHFFFAOYSA-N;141.17;-0.54;;;;;DOPC;MDCG;27;1;"MARTINI bead: SP1_SP1";;;;;;;-0.79;;-5.68;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM413883;MM413883;C=C1C(=O)CCC1=CC#N;XROYNHQMPLDDII-UHFFFAOYSA-N;133.15;1.36;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNa_SC5";;;;;;;1.64;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM413884;MM413884;CCC12CC1CC(=NO)O2;PGUZLRFOSCZBIU-UHFFFAOYSA-N;141.17;1.36;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC3_SP1";;;;;;;1.74;;0.29;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM413885;MM413885;C=COn1ccc(CC)c1;VSLLCAGRZXERGS-UHFFFAOYSA-N;137.18;1.62;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC5_SNa";;;;;;;1.64;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM413886;MM413886;CC#CC(=O)N(C=O)C=O;WMELKRRTABHKCP-UHFFFAOYSA-N;139.11;-0.85;;;;;DOPC;MDCG;27;0;"MARTINI bead: N0_P2";;;;;;;0.06;;-2.21;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM413887;MM413887;N=C1C=C(CF)CCN1N;DKJGYWNHNTWCPA-UHFFFAOYSA-N;143.17;0.44;;;;;DOPC;MDCG;27;1;"MARTINI bead: SP1_SNa";;;;;;;0.04;;-5.02;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM413888;MM413888;CCCCOC(C=O)=CN;GGGBQKUZSURBQZ-UHFFFAOYSA-N;143.19;0.8;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1_P3";;;;;;;0.94;;0.03;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM413889;MM413889;C=CC=C1CNC(=N)C1=C;NRXXRNGKBGERGU-UHFFFAOYSA-N;134.18;1.24;;;;;DOPC;MDCG;27;1;"MARTINI bead: SN0_SNd";;;;;;;1.17;;-4.61;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM413890;MM413890;NCC12CC1CC(=NO)O2;ANLUYWFDFDLIHR-UHFFFAOYSA-N;142.16;-0.09;;;;;DOPC;MDCG;27;1;"MARTINI bead: SNd_SP1";;;;;;;0.04;;-4.62;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM413891;MM413891;C=CN(N=C)C(=O)C#CC;WPVILLKDCRHIAE-UHFFFAOYSA-N;136.15;0.6;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_P1";;;;;;;0.81;;-0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM413892;MM413892;C=COn1ccc(CN)c1;SLTRQVLQKYKMGU-UHFFFAOYSA-N;138.17;0.52;;;;;DOPC;MDCG;27;1;"MARTINI bead: SP1_SNa";;;;;;;0.04;;-4.24;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM413893;MM413893;CNN=c1occ(OC)o1;KFPTULVXUXPEHR-UHFFFAOYSA-N;144.13;-0.08;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_SP2";;;;;;;-1.34;;-4.31;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM413894;MM413894;CCC1=CC(=N)N(O)CC1;COUDWPHVYQYZPB-UHFFFAOYSA-N;140.19;1.39;;;;;DOPC;MDCG;27;1;"MARTINI bead: SN0_SP1";;;;;;;0.34;;-2.86;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM413895;MM413895;C=C1C(=N)NCC1=CC#N;RHTHORZIPQQMFO-UHFFFAOYSA-N;133.15;0.57;;;;;DOPC;MDCG;27;1;"MARTINI bead: SNd_SP1";;;;;;;0.04;;-5.94;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM413896;MM413896;C#CC(=O)N(C=N)C=NN;DGZJAQZLLNQJNO-UHFFFAOYSA-N;138.13;-1.04;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_P2";;;;;;;-1.06;;-3.82;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM413897;MM413897;C=COn1ccc(CO)c1;GTAXRXQHLSUNGA-UHFFFAOYSA-N;139.15;0.55;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNda_SNa";;;;;;;0.87;;-1.99;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM413898;MM413898;C=NN(C=O)C(=O)C#CC;XEFSOJHJJMCXKL-UHFFFAOYSA-N;138.13;-0.39;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_P2";;;;;;;0.54;;-1.09;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM413899;MM413899;CCCCOC(C=O)=CF;IRXLTEWDIOHDMJ-UHFFFAOYSA-N;146.16;1.81;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1_P1";;;;;;;2.08;;0.48;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM413900;MM413900;N=C1C=C(CN)CCN1O;LPJIYHHUJAHIPZ-UHFFFAOYSA-N;141.17;-0.06;;;;;DOPC;MDCG;27;1;"MARTINI bead: SP2_SP1";;;;;;;-1.06;;-5.59;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM413901;MM413901;C=CC=C1COC(=C)C1=C;JBECWJJWJHYJBF-UHFFFAOYSA-N;134.18;2.2;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC5_SC5";;;;;;;2.41;;0.64;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM413902;MM413902;OCC12CC1CC(=NO)O2;SFJANFQMQSEIDP-UHFFFAOYSA-N;143.14;-0.05;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNda_SP1";;;;;;;0.04;;-2.73;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM413903;MM413903;CC(C)=C(C)COC=NN;KOAVJOBUKKAWHS-UHFFFAOYSA-N;142.2;1.26;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1_P1";;;;;;;2.08;;0.48;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM413904;MM413904;C#CC(C=C)C(=C)C#CC;RKKXKNAHNMJMNZ-UHFFFAOYSA-N;130.19;2;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4_C5";;;;;;;2.97;;0.45;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM413905;MM413905;N=C1C=C(CO)CCN1O;FBKCNBBNJZSDHJ-UHFFFAOYSA-N;142.16;-0.02;;;;;DOPC;MDCG;27;1;"MARTINI bead: SP1_SP1";;;;;;;-0.79;;-4.22;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM413906;MM413906;O=CC(=CF)OCCCO;KAUNEQWFECARJE-UHFFFAOYSA-N;148.13;0.4;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda_P1";;;;;;;0.04;;-2.73;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM413907;MM413907;C=C1OCC(=CC#N)C1=C;AUEDNGNPKDWSQQ-UHFFFAOYSA-N;133.15;1.54;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC5_SN0";;;;;;;1.94;;0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM413908;MM413908;ON=C1CC2CC2(CF)O1;ZSFAPSBAVWETNI-UHFFFAOYSA-N;145.13;0.92;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP1_SNa";;;;;;;0.04;;-2.54;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM413909;MM413909;CC(F)=C(C)COC=NN;ZPHMAJBLPKPFQJ-UHFFFAOYSA-N;146.17;1.17;;;;;DOPC;MDCG;27;0;"MARTINI bead: C3_P1";;;;;;;1.74;;0.29;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM413910;MM413910;C#CC(C=O)C(=C)C#CC;RDDFEUCDLLBRTQ-UHFFFAOYSA-N;132.16;1.01;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4_Na";;;;;;;2.2;;0.34;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM413911;MM413911;N=C1C=C(CF)CCN1O;FTSRWXAVJSNDRJ-UHFFFAOYSA-N;144.15;0.95;;;;;DOPC;MDCG;27;1;"MARTINI bead: SP1_SNa";;;;;;;0.04;;-3.58;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM413912;MM413912;C=CC(=CC)OCCNC;SEGKQFGGFXDQAS-UHFFFAOYSA-N;141.21;1.31;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_C5";;;;;;;1.64;;-2.2;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM413913;MM413913;C#CC=C1CCC(=C)C1=C;FBHKVYAZGJUENN-UHFFFAOYSA-N;130.19;2.45;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC4_SC4";;;;;;;3.53;;0.53;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM413914;MM413914;CC=C1CC2CC2(OC)O1;LBPJMDBESGRHBR-UHFFFAOYSA-N;140.18;1.67;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNa_SC5";;;;;;;1.64;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM413915;MM413915;C=CCn1cnc(CF)c1;FEHGEKHYZAMCRZ-UHFFFAOYSA-N;140.16;1.54;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNa_SN0";;;;;;;1.17;;-1.18;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM413916;MM413916;C#CC(C#N)C(=C)C#CC;GFKZUTIAVDUMMZ-UHFFFAOYSA-N;129.16;1.34;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4_N0";;;;;;;2.5;;0.44;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM413917;MM413917;CC=CC1=NC(=NN)N=C1;VMHOPZVQFZSUFJ-UHFFFAOYSA-N;136.16;0.32;;;;;DOPC;MDCG;27;0;"MARTINI bead: SN0_SP1";;;;;;;0.34;;-1.53;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM413918;MM413918;C=CC(=CF)OCCNC;UOSQFTSHWVTFTL-UHFFFAOYSA-N;145.18;1.22;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_Na";;;;;;;0.87;;-4.19;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM413919;MM413919;C#CC=C1CCC(=O)C1=C;RAMDDHHPXXTNPM-UHFFFAOYSA-N;132.16;1.47;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNa_SC4";;;;;;;2.2;;0.34;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM413920;MM413920;COC12CC1CC(=CF)O2;OJGHYLIJZLBRSM-UHFFFAOYSA-N;144.15;1.58;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNa_SNa";;;;;;;0.87;;-2.22;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM413921;MM413921;CC(COC=NN)=C(F)F;FHQXCFYZZXAQSM-UHFFFAOYSA-N;150.13;1.08;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_C4";;;;;;;1.37;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM413922;MM413922;C#CC(C=C)C(=O)C#CC;DRULRGHCZXCVHX-UHFFFAOYSA-N;132.16;1.01;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_C5";;;;;;;2.41;;0.64;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM413923;MM413923;CN1CCC(CN)=CC1=O;LCXNJVOYVATTET-UHFFFAOYSA-N;140.19;-0.27;;;;;DOPC;MDCG;27;1;"MARTINI bead: SNda_SP2";;;;;;;-0.24;;-5.33;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM413924;MM413924;C#CC=C1CNC(=N)C1=C;KENVQRXKJMTUKK-UHFFFAOYSA-N;132.17;0.68;;;;;DOPC;MDCG;27;1;"MARTINI bead: SNd_SN0";;;;;;;1.17;;-4.48;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM413925;MM413925;CC=C(C#N)OCCNC;ZYDCZTZQWSQTPS-UHFFFAOYSA-N;140.19;0.65;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_Na";;;;;;;0.87;;-4.19;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM413926;MM413926;COCC(=NN)N(C)C=O;WBDBLMDWMKSOMP-UHFFFAOYSA-N;145.16;-1.01;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_P2";;;;;;;-1.06;;-3.82;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM413927;MM413927;C=CCn1cnc(NC)c1;KXRGUADUTLPQLZ-UHFFFAOYSA-N;137.19;1.11;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNda_SN0";;;;;;;1.17;;-1.13;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM413928;MM413928;CN1CCC(CO)=CC1=O;OJQMBVXZQORYQC-UHFFFAOYSA-N;141.17;-0.23;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNda_SP1";;;;;;;0.04;;-2.73;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM413929;MM413929;C#CC(C#C)C(=C)C#CC;CRPOWAODAYQPQI-UHFFFAOYSA-N;128.17;1.45;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4_N0";;;;;;;2.5;;0.44;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM413930;MM413930;C#CC=C1CNC(=O)C1=C;UINRYDBJXMJXEJ-UHFFFAOYSA-N;133.15;0.23;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP1_SN0";;;;;;;0.34;;-1.53;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM413931;MM413931;CNCCOC(C=O)=CN;DTNJXKCRYAOXBR-UHFFFAOYSA-N;144.17;-0.78;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_P3";;;;;;;-1.1;;-6.12;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM413932;MM413932;COC12CC1CC(=NO)O2;LHKGBHGVOQVQTD-UHFFFAOYSA-N;143.14;0.56;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNa_SP1";;;;;;;0.04;;-2.54;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM413933;MM413933;CC#CC1=NC(=NN)N=C1;ODYAPMXSIFDOTL-UHFFFAOYSA-N;134.14;-0.24;;;;;DOPC;MDCG;27;0;"MARTINI bead: SN0_SP1";;;;;;;0.34;;-1.53;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM413934;MM413934;CC(C)=C(F)COC=NN;CHSNWXMVJGCFGW-UHFFFAOYSA-N;146.17;1.17;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4_P1";;;;;;;1.37;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM413935;MM413935;C#CC(C#C)C(=O)C#CC;WAKLZWNMYILDMO-UHFFFAOYSA-N;130.15;0.46;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_N0";;;;;;;1.94;;0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM413936;MM413936;C#CC=C1COC(=C)C1=C;RASVUMGQEZOXAN-UHFFFAOYSA-N;132.16;1.65;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC5_SN0";;;;;;;1.94;;0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM413937;MM413937;CNCCOC(C#N)=CN;ACFIDUCBKADNES-UHFFFAOYSA-N;141.17;-0.45;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1_P1";;;;;;;-0.79;;-5.44;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM413938;MM413938;C#CCC(=NN)N(N)C=O;RBNNDDNTGFRGJH-UHFFFAOYSA-N;140.15;-1.39;;;;;DOPC;MDCG;27;0;"MARTINI bead: N0_P4";;;;;;;-0.88;;-3.74;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM413939;MM413939;C=CCn1cnc(OC)c1;FVMPKVOBOWWUDZ-UHFFFAOYSA-N;138.17;1.08;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNa_SN0";;;;;;;1.17;;-1.18;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM413940;MM413940;C#CC1=NC(=NN)N=C1C;BJERZFZNHQJNTG-UHFFFAOYSA-N;134.14;-0.24;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP1_SN0";;;;;;;0.34;;-1.53;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM413941;MM413941;CC=C(CN)C(C)CCC;SEYQSKXBKPCXQY-UHFFFAOYSA-N;141.26;2.33;;;;;DOPC;MDCG;27;1;"MARTINI bead: C3_C5";;;;;;;3.34;;0.58;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM413942;MM413942;CC(F)C(C)ON=CCF;ZLOAIBFBNRZSLW-UHFFFAOYSA-N;151.16;1.7;;;;;DOPC;MDCG;27;0;"MARTINI bead: C2_P1";;;;;;;2;;0.29;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM413943;MM413943;C=CC(=CF)OCCOC;GTELDKMILYOPRS-UHFFFAOYSA-N;146.16;1.65;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_Na";;;;;;;0.87;;-2.22;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM413944;MM413944;CC1CC1(F)COC=NN;XZSHNZDQSCTICO-UHFFFAOYSA-N;146.17;0.65;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNa_P1";;;;;;;0.04;;-2.54;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM413945;MM413945;CN=C1NC2CC2(CN)O1;JASYTJDQCCPUAI-UHFFFAOYSA-N;141.17;-0.94;;;;;DOPC;MDCG;27;1;"MARTINI bead: SP1_SP3";;;;;;;-1.93;;-5.89;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM413946;MM413946;C#CC1CC1C1(O)CC1C;YKGNWPMJRIKQMZ-UHFFFAOYSA-N;136.19;1.03;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNda_SC5";;;;;;;1.64;;0.05;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM413947;MM413947;CC=C(CN)C(C)CCN;DLLMFFJMQXWJEU-UHFFFAOYSA-N;142.25;0.88;;;;;DOPC;MDCG;27;1;"MARTINI bead: C5_P1";;;;;;;0.81;;-3.37;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM413948;MM413948;CC=C(C#N)OCCOC;SNPQFDCKOSGXRV-UHFFFAOYSA-N;141.17;1.08;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_Na";;;;;;;0.87;;-2.22;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM413949;MM413949;C#CCC1C=CC(N)C1C;PHKPBYNLAAZRSN-UHFFFAOYSA-N;135.21;1.16;;;;;DOPC;MDCG;27;1;"MARTINI bead: SNd_SC4";;;;;;;2.2;;-1.93;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM413950;MM413950;CCc1cn(NC=N)cn1;FQWQUWJVKCALEM-UHFFFAOYSA-N;138.17;0.6;;;;;DOPC;MDCG;27;1;"MARTINI bead: SNa_SP2";;;;;;;-0.24;;-4.84;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM413951;MM413951;NCC12CC1NC(=NO)O2;XSNZGMBGLRZWFQ-UHFFFAOYSA-N;143.15;-1.18;;;;;DOPC;MDCG;27;1;"MARTINI bead: SNd_SP2";;;;;;;-0.24;;-4.3;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM413952;MM413952;NN=c1oncc(=O)n1N;BMGTWGJCECHEGZ-UHFFFAOYSA-N;143.11;-2.68;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP2_SP3";;;;;;;-2.2;;-5.19;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM413953;MM413953;CC(CCF)C(=CF)CN;WCUMGGWILJSDAW-UHFFFAOYSA-N;149.18;1.79;;;;;DOPC;MDCG;27;1;"MARTINI bead: C5_Nda";;;;;;;1.64;;-2.03;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM413954;MM413954;CC(=NN=CCF)N(C)C;IRVDNDZRPBCFRW-UHFFFAOYSA-N;145.18;0.92;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_C4";;;;;;;1.37;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM413955;MM413955;COCCOC(C#N)=CF;NTJBKZBDZJIIIB-UHFFFAOYSA-N;145.13;0.98;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_Na";;;;;;;0.87;;-2.22;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM413956;MM413956;COC=CN(C=O)C=NN;XXKGOGMLCQNLFM-UHFFFAOYSA-N;143.15;-0.54;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_P4";;;;;;;-1.19;;-4.76;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM413957;MM413957;N=CNn1cnc(CO)c1;SSNRWJLYFQTFCR-UHFFFAOYSA-N;140.15;-0.47;;;;;DOPC;MDCG;27;1;"MARTINI bead: SP2_SP2";;;;;;;-1.34;;-5.85;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM413958;MM413958;CCC1=CC(=O)N(O)CC1;YCVKBRUILUZVND-UHFFFAOYSA-N;141.17;0.94;;;;;DOPC;MDCG;27;0;"MARTINI bead: SN0_SP1";;;;;;;0.34;;-1.53;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM413959;MM413959;CCC(=NNC)OCCF;ZGUDRVAHUDAKEH-UHFFFAOYSA-N;148.18;0.92;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_C5";;;;;;;0.81;;-0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM413960;MM413960;C#CCC1C=NN(C)C1C;AAQOMJULRUSNQR-UHFFFAOYSA-N;136.2;0.95;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP1_SP1";;;;;;;-0.79;;-3.13;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM413961;MM413961;NCC1=CC(=O)N(O)CC1;SLMSDKDXFQSSIC-UHFFFAOYSA-N;142.16;-0.51;;;;;DOPC;MDCG;27;1;"MARTINI bead: SP2_SP1";;;;;;;-1.06;;-6.03;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM413962;MM413962;CNc1cn(NC=N)cn1;NQYHNWYSXVAUKI-UHFFFAOYSA-N;139.16;0.08;;;;;DOPC;MDCG;27;1;"MARTINI bead: SNda_SP2";;;;;;;-0.24;;-5;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM413963;MM413963;C=CC=CN(C=O)C=NN;WUKIXVRQCJMORV-UHFFFAOYSA-N;139.16;0.05;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_Nda";;;;;;;0.04;;-2.73;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM413964;MM413964;C=CC(=CC)OCOCC;HBFMVVRICJUOPR-UHFFFAOYSA-N;142.2;2.09;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_C5";;;;;;;1.64;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM413965;MM413965;CC(CCN)C(=CF)CF;MEDPCRSHVBOOJZ-UHFFFAOYSA-N;149.18;1.79;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_C5";;;;;;;1.64;;-2.68;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM413966;MM413966;NCC12CC1OC(=NO)O2;DRMDIUGXXAFNER-UHFFFAOYSA-N;144.13;-0.75;;;;;DOPC;MDCG;27;1;"MARTINI bead: SNd_SP2";;;;;;;-0.24;;-4.91;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM413967;MM413967;C#CCC1N=CN(C)C1C;IYOMHRIQMRGBBO-UHFFFAOYSA-N;136.2;0.74;;;;;DOPC;MDCG;27;1;"MARTINI bead: SP1_SNd";;;;;;;0.04;;-4.46;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM413968;MM413968;COc1cn(NC=N)cn1;TUEBVVGCWVTIFS-UHFFFAOYSA-N;140.15;0.04;;;;;DOPC;MDCG;27;1;"MARTINI bead: SNa_SP2";;;;;;;-0.24;;-4.82;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM413969;MM413969;CC=C(C#N)OCOCC;FLYCEMHBSOSHCW-UHFFFAOYSA-N;141.17;1.42;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_Na";;;;;;;0.87;;-2.22;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM413970;MM413970;O=C1C=C(CO)CCN1O;VKOAAQAMKWCSRG-UHFFFAOYSA-N;143.14;-0.47;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP1_SP1";;;;;;;-0.79;;-3.13;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM413971;MM413971;CC(CCF)C(=CF)CF;IUHGEPVDQJQQLS-UHFFFAOYSA-N;152.16;2.81;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4_C5";;;;;;;2.97;;0.45;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM413972;MM413972;CC(=NN=CCF)N(C)N;UGDMKPJONGTKDU-UHFFFAOYSA-N;146.17;0.17;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_C5";;;;;;;0.54;;-1.09;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM413973;MM413973;CC=C1CC2NC2(CN)C1;NKOHBXVBUDCFTO-UHFFFAOYSA-N;138.21;0.4;;;;;DOPC;MDCG;27;1;"MARTINI bead: SC1_SP2";;;;;;;1.8;;-0.87;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM413974;MM413974;O=C1C=C(CF)CCN1O;KCJIJAOHHOHNTK-UHFFFAOYSA-N;145.13;0.5;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP1_SNa";;;;;;;0.04;;-2.54;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM413975;MM413975;CCOCOC(C#N)=CF;BSDDHORMBZFIAJ-UHFFFAOYSA-N;145.13;1.33;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_Na";;;;;;;0.87;;-2.22;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM413976;MM413976;C=COn1cnc(CC)c1;OGWPTUMEJMTNPB-UHFFFAOYSA-N;138.17;1.02;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNa_SNa";;;;;;;0.87;;-2.22;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM413977;MM413977;CC=C(CC)C(N)CCN;LLYIRPOCRKKYNT-UHFFFAOYSA-N;142.25;1.02;;;;;DOPC;MDCG;27;1;"MARTINI bead: C5_P1";;;;;;;0.81;;-3.11;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM413978;MM413978;NCC12CC(=CF)CC1N2;COQSWUWOLHLEMN-UHFFFAOYSA-N;142.18;0.3;;;;;DOPC;MDCG;27;1;"MARTINI bead: SP2_SC4";;;;;;;1.09;;-2.31;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM413979;MM413979;C=CCC1C=CC(=O)C1C;ARLHWHNMBFXYJC-UHFFFAOYSA-N;136.19;1.95;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC1_SNa";;;;;;;2.91;;0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM413980;MM413980;CC#CC1CCC(O)C1C;WSBYWNRBUPIHRM-UHFFFAOYSA-N;138.21;1.42;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC1_SNda";;;;;;;2.91;;0.57;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM413981;MM413981;CNC1=CC(=N)N(C)CC1;GZALOUZVOMNXNX-UHFFFAOYSA-N;139.2;0.4;;;;;DOPC;MDCG;27;1;"MARTINI bead: SP1_SNd";;;;;;;0.04;;-6.91;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM413982;MM413982;C=COn1cnc(NC)c1;ROMLWFWASAUFQC-UHFFFAOYSA-N;139.16;0.5;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNda_SNa";;;;;;;0.87;;-1.99;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM413983;MM413983;CC=C(CN)C(N)CCC;OFAMLGIUALTBAJ-UHFFFAOYSA-N;142.25;1.02;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_Nd";;;;;;;0.87;;-4.47;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM413984;MM413984;CC=C1CC2NC2(CF)C1;KPFQYBYKAHFYTA-UHFFFAOYSA-N;141.19;1.41;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC1_SNda";;;;;;;2.91;;0.58;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM413985;MM413985;CNC1=CC(=N)N(N)CC1;JXXJEBVBSALXNJ-UHFFFAOYSA-N;140.19;-0.35;;;;;DOPC;MDCG;27;1;"MARTINI bead: SP1_SP1";;;;;;;-0.79;;-5.61;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM413986;MM413986;CC#CC1CC1C(O)CC;PCRHDWKPLNKVFN-UHFFFAOYSA-N;138.21;1.42;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda_SC4";;;;;;;2.2;;0.49;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM413987;MM413987;C#CCC1C=CC(=C)C1C;YLCXEJCRMADIQB-UHFFFAOYSA-N;132.21;2.39;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC4_SC3";;;;;;;3.9;;0.47;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM413988;MM413988;C=CCn1cc(CC)cn1;BXLLYJXRWFCCFV-UHFFFAOYSA-N;136.2;1.63;;;;;DOPC;MDCG;27;0;"MARTINI bead: SN0_SNa";;;;;;;1.17;;-1.18;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM413989;MM413989;NCC(=CF)C(N)CCF;NEADWBDNMAQOCI-UHFFFAOYSA-N;150.17;0.49;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1_P1";;;;;;;-0.79;;-5.36;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM413990;MM413990;FC=C1CC2NC2(CF)C1;OUHYKIUJEYPKRG-UHFFFAOYSA-N;145.15;1.31;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNda_SC4";;;;;;;2.2;;0.49;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM413991;MM413991;CNC1=CC(=N)N(O)CC1;QRFQMVKOOYLJHT-UHFFFAOYSA-N;141.17;0.16;;;;;DOPC;MDCG;27;1;"MARTINI bead: SP1_SP1";;;;;;;-0.79;;-4.16;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM413992;MM413992;C=CC(=NO)OCCOC;KRLOLUVKENWOLR-UHFFFAOYSA-N;145.16;0.62;;;;;DOPC;MDCG;27;0;"MARTINI bead: N0_P1";;;;;;;0.34;;-1.53;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM413993;MM413993;C=C1C(=N)N=CN1CC#N;KPMLAUPNWPIONF-UHFFFAOYSA-N;134.14;0.34;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNd_SP2";;;;;;;-0.24;;-3.16;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM413994;MM413994;CCc1cnn(CC#N)c1;VASVATLZVOEQQT-UHFFFAOYSA-N;135.17;0.97;;;;;DOPC;MDCG;27;0;"MARTINI bead: SN0_SNa";;;;;;;1.17;;-1.18;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM413995;MM413995;NCC12CC(=NO)CC1N2;CGPHOLIJOGVBOC-UHFFFAOYSA-N;141.17;-0.72;;;;;DOPC;MDCG;27;1;"MARTINI bead: SP2_SNda";;;;;;;-0.24;;-5.19;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM413996;MM413996;CCCC(N)C(=CF)CO;DTWJGPKPFZTIOY-UHFFFAOYSA-N;147.19;0.96;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_Nda";;;;;;;0.87;;-3.98;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM413997;MM413997;C#CCC=NNC=CC=O;NFIYHIMWUVRHRP-UHFFFAOYSA-N;136.15;0.3;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_Nd";;;;;;;0.87;;-1.88;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM413998;MM413998;NN=c1onnc(=O)n1N;UEKVKWLEMYITQU-UHFFFAOYSA-N;144.09;-3.28;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP3_SP3";;;;;;;-3.07;;-6.15;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM413999;MM413999;C=C1C(=O)N=CN1CC#N;MNIOQKNMTSGGAG-UHFFFAOYSA-N;135.13;-0.11;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNd_SP3";;;;;;;-1.1;;-3.93;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM414000;MM414000;C=CCn1cc(CN)cn1;KXTWZESOPAZUOD-UHFFFAOYSA-N;137.19;0.53;;;;;DOPC;MDCG;27;1;"MARTINI bead: SP2_SNa";;;;;;;-0.24;;-4.7;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM414001;MM414001;CC=C(CF)C(N)CCN;HBVNWAAKTXDDQZ-UHFFFAOYSA-N;146.21;0.58;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nda_P1";;;;;;;0.04;;-5.32;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM414002;MM414002;C#CC=CN(C=O)C=NN;BTQRRULSUMLFLW-UHFFFAOYSA-N;137.14;-0.51;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_P1";;;;;;;-0.79;;-3.13;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM414003;MM414003;C=CC(=NO)OCOCC;MLMLDRZIDLKGKY-UHFFFAOYSA-N;145.16;0.97;;;;;DOPC;MDCG;27;0;"MARTINI bead: N0_P1";;;;;;;0.34;;-1.53;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM414004;MM414004;C#CCC1C=CC(=C)C1=C;QODHLLCPUBOSNH-UHFFFAOYSA-N;130.19;2.31;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC4_SC4";;;;;;;3.53;;0.53;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM414005;MM414005;C=CC(C=C)C1NC1C=O;VITASZOYSJNOKQ-UHFFFAOYSA-N;137.18;0.51;;;;;DOPC;MDCG;27;0;"MARTINI bead: C2_SP2";;;;;;;1.72;;0.28;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM414006;MM414006;CCC(C)(OC)OC=NN;JTLRFGCRITVAKG-UHFFFAOYSA-N;146.19;0.68;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_P1";;;;;;;0.81;;-0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM414007;MM414007;NCCC(N)C(=CF)CF;AIUZNADCUVGJPC-UHFFFAOYSA-N;150.17;0.49;;;;;DOPC;MDCG;27;1;"MARTINI bead: P3_C5";;;;;;;-0.33;;-4.54;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM414008;MM414008;CC=C1CC2OC2(CC)C1;OHWQTMRONYYIPH-UHFFFAOYSA-N;138.21;2.27;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC5_SC1";;;;;;;3.68;;0.46;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM414009;MM414009;C=CCCCC(C=C)=CC;UJURXPXUNJPUPC-UHFFFAOYSA-N;136.24;3.48;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1_C3";;;;;;;4.61;;0.31;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM414010;MM414010;CC=CC1C=CC(=O)C1C;IVXCHYODJHWFCG-UHFFFAOYSA-N;136.19;1.95;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC2_SNa";;;;;;;2.83;;0.35;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM414011;MM414011;CNC1=CC(=O)N(O)CC1;LVEBYZFQIUBFJA-UHFFFAOYSA-N;142.16;-0.29;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP1_SP1";;;;;;;-0.79;;-3.13;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM414012;MM414012;N#CCn1cc(CO)cn1;ZQCYUUJVSHFQMI-UHFFFAOYSA-N;137.14;-0.1;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP1_SNa";;;;;;;0.04;;-2.54;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM414013;MM414013;OCCC(O)C(=CF)CO;BHDYMLGFBYXESL-UHFFFAOYSA-N;150.15;-0.42;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_P2";;;;;;;-1.06;;-3.82;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM414014;MM414014;CCC12CC(=CF)CC1O2;FVNYTXLOVHINJP-UHFFFAOYSA-N;142.17;2.18;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC5_SC4";;;;;;;2.97;;0.45;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM414015;MM414015;C=CC(=CC)CCCC=O;UTOXRBNYZMJQEL-UHFFFAOYSA-N;138.21;2.49;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1_Na";;;;;;;2.91;;0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM414016;MM414016;CC#CC1C=CC(C)C1C;GJHJRXLMHAAHNI-UHFFFAOYSA-N;134.22;2.47;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC3_SC4";;;;;;;3.9;;0.47;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM414017;MM414017;COC1=CC(=N)N(C)CC1;KOGREZNBFRQTSA-UHFFFAOYSA-N;140.19;0.83;;;;;DOPC;MDCG;27;1;"MARTINI bead: SNa_SNd";;;;;;;0.87;;-5.31;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM414018;MM414018;C=CCn1cc(CF)cn1;IXUKUHKCCCPOGD-UHFFFAOYSA-N;140.16;1.54;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNa_SNa";;;;;;;0.87;;-2.22;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM414019;MM414019;C=CC(=CC)CCCC#N;YJCBMSHSXPWORW-UHFFFAOYSA-N;135.21;2.81;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1_P1";;;;;;;2.08;;0.48;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM414020;MM414020;OC(CCF)C(=CF)CF;YSIOSDRWLXAJQN-UHFFFAOYSA-N;154.13;1.53;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_C5";;;;;;;0.81;;-0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM414021;MM414021;CC=C1CC2OC2(CN)C1;CDQKUOQMTCHFDH-UHFFFAOYSA-N;139.2;0.82;;;;;DOPC;MDCG;27;1;"MARTINI bead: SC1_SP1";;;;;;;2.08;;-0.46;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM414022;MM414022;CC#CC1C=CC(N)C1C;JAHJBTPYZHFDDO-UHFFFAOYSA-N;135.21;1.16;;;;;DOPC;MDCG;27;1;"MARTINI bead: SC3_SNd";;;;;;;2.57;;-1.2;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM414023;MM414023;COC1=CC(=N)N(N)CC1;AOOOFJLLXQJXHC-UHFFFAOYSA-N;141.17;0.07;;;;;DOPC;MDCG;27;1;"MARTINI bead: SNa_SP1";;;;;;;0.04;;-4.08;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM414024;MM414024;N#CCn1cc(CF)cn1;VNGUDQHRHIFPJY-UHFFFAOYSA-N;139.13;0.88;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNa_SNa";;;;;;;0.87;;-2.22;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM414025;MM414025;CCC(=CF)C(F)CCN;PICVNIHZTALHNT-UHFFFAOYSA-N;149.18;1.94;;;;;DOPC;MDCG;27;1;"MARTINI bead: C3_P1";;;;;;;1.74;;-2.02;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM414026;MM414026;C=CC(=CF)CCCC#N;DSQWZNDEVCNJLJ-UHFFFAOYSA-N;139.17;2.72;;;;;DOPC;MDCG;27;0;"MARTINI bead: C2_P1";;;;;;;2;;0.29;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM414027;MM414027;NCC12CC(=CF)CC1O2;DAMDCDIKVXHEOT-UHFFFAOYSA-N;143.16;0.73;;;;;DOPC;MDCG;27;1;"MARTINI bead: SP1_SC4";;;;;;;1.37;;-1.98;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM414028;MM414028;C=CCn1cc(N)c(F)n1;PHMIVWLSAIBFFI-UHFFFAOYSA-N;141.15;0.79;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNa_SP1";;;;;;;0.04;;-2.54;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM414029;MM414029;C=CCn1cc(NC)cn1;RTRJDBIMLJJUNQ-UHFFFAOYSA-N;137.19;1.11;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNd_SNa";;;;;;;0.87;;-1.88;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM414030;MM414030;C#CCC=NNCCC#N;FKNMQLMHTKEJPU-UHFFFAOYSA-N;135.17;0.5;;;;;DOPC;MDCG;27;0;"MARTINI bead: N0_Nd";;;;;;;1.17;;-1.04;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM414031;MM414031;CC=C(CN)C(F)CCO;HEZHQEKXEBFBKX-UHFFFAOYSA-N;147.19;0.61;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nda_P1";;;;;;;0.04;;-4.88;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM414032;MM414032;C=CCCCC(C=O)=CC;AXSMZKPDCSGRIG-UHFFFAOYSA-N;138.21;2.49;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_C3";;;;;;;2.57;;0.45;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM414033;MM414033;CC=C1CC2OC2(CO)C1;ZOOVXCLOBRUQKF-UHFFFAOYSA-N;140.18;0.86;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC1_SP1";;;;;;;2.08;;0.48;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM414034;MM414034;CC#CC1C=NN(C)C1C;QLLGDSAKZQKBSL-UHFFFAOYSA-N;136.2;0.95;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP1_SP1";;;;;;;-0.79;;-3.13;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM414035;MM414035;CNc1cnn(CC#N)c1;ZMPCIVOZQUFBLW-UHFFFAOYSA-N;136.16;0.45;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNd_SNa";;;;;;;0.87;;-1.88;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM414036;MM414036;NN=C1N=CC(=CF)C=N1;NIFOJLMASRTDTF-UHFFFAOYSA-N;140.12;0.22;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP1_SNa";;;;;;;0.04;;-2.54;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM414037;MM414037;C=CCCCC(C#N)=CC;HQCMKXHEGWGYIE-UHFFFAOYSA-N;135.21;2.81;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_C3";;;;;;;3.34;;0.48;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM414038;MM414038;CC=C(CF)C(F)CCN;WICGNIUKSFNFNA-UHFFFAOYSA-N;149.18;1.59;;;;;DOPC;MDCG;27;1;"MARTINI bead: C4_P1";;;;;;;1.37;;-2.63;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM414039;MM414039;OCC12CC(=CF)CC1O2;KDRACVSFCIYYHR-UHFFFAOYSA-N;144.15;0.76;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP1_SC4";;;;;;;1.37;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM414040;MM414040;Cc1nc(N)cc(=O)n1C;ULTATQBHJFHKBR-UHFFFAOYSA-N;139.16;-0.33;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP1_SP2";;;;;;;-1.06;;-3.82;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM414041;MM414041;C=CCn1cc(OC)cn1;QTQDBXBSEHJKOV-UHFFFAOYSA-N;138.17;1.08;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNa_SNa";;;;;;;0.87;;-2.22;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM414042;MM414042;COC1=CC(=O)N(O)CC1;BELVVDZQQSQFKU-UHFFFAOYSA-N;143.14;0.14;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNa_SP1";;;;;;;0.04;;-2.54;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM414043;MM414043;CC=C(CN)C(C)CNC;WMOFSUZRKXSTLR-UHFFFAOYSA-N;142.25;0.75;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1_C5";;;;;;;0.81;;-3.68;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM414044;MM414044;CC=C(C#N)CCCC=O;OMZASVLMVMFOAA-UHFFFAOYSA-N;137.18;1.83;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_Na";;;;;;;1.64;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM414045;MM414045;FC=C1CC2OC2(CF)C1;UTQXOLKAUNQFPK-UHFFFAOYSA-N;146.14;1.74;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNa_SC4";;;;;;;2.2;;0.34;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM414046;MM414046;C=C1C=CC(C#CC)C1C;IYSYBYBLOCRLFJ-UHFFFAOYSA-N;132.21;2.39;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC4_SC3";;;;;;;3.9;;0.47;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM414047;MM414047;CC(=O)N=CN(C)C;PTQVOVXFBPJLCK-UHFFFAOYSA-N;114.15;0.12;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_Na";;;;;;;-0.24;;-3.24;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM414048;MM414048;COc1cnn(CC#N)c1;MVDQRTMGKBRVGN-UHFFFAOYSA-N;137.14;0.42;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNa_SNa";;;;;;;0.87;;-2.22;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM414049;MM414049;CC=C(C#N)CCCC#N;MACPFRFGGLEORM-UHFFFAOYSA-N;134.18;2.15;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_P1";;;;;;;0.81;;-0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM414050;MM414050;CNCC(C)C(=CF)CO;QNARQCDRHWRQEP-UHFFFAOYSA-N;147.19;0.69;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1_N0";;;;;;;0.34;;-4.39;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM414051;MM414051;CCC12CC(=NN)CC1O2;FEEGDSFSTAXCJL-UHFFFAOYSA-N;140.19;0.64;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC5_SNd";;;;;;;1.64;;0.02;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM414052;MM414052;CC#CC1C=CC(=O)C1C;XRVKVWYHTHYUTN-UHFFFAOYSA-N;134.18;1.4;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC4_SNa";;;;;;;2.2;;0.34;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM414053;MM414053;C=CCn1cc(CC)nn1;PHFWALPOIURQDF-UHFFFAOYSA-N;137.19;1.03;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNa_SNa";;;;;;;0.87;;-2.22;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM414054;MM414054;C=CC1=CC(=O)C(O)CC1;RBQNDONRMRWWQC-UHFFFAOYSA-N;138.17;0.82;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP1_SC1";;;;;;;2.08;;0.48;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM414055;MM414055;CNCC(C)C(=CF)CF;HCIJNOGOTZMZJA-UHFFFAOYSA-N;149.18;1.66;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nda_Na";;;;;;;0.87;;-5.14;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM414056;MM414056;CCC12CC(=NO)CC1O2;XNJAGAAJSGUOLH-UHFFFAOYSA-N;141.17;1.16;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC5_SNda";;;;;;;1.64;;0.05;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM414057;MM414057;C=CCCCC(C#N)=CN;BLRBZUMGPHYXTO-UHFFFAOYSA-N;136.2;1.71;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_C3";;;;;;;1.74;;0.29;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM414058;MM414058;C=C1C=CC(C#CC)C1N;ZBASMRJFIUYBIO-UHFFFAOYSA-N;133.19;1.08;;;;;DOPC;MDCG;27;1;"MARTINI bead: SC4_SNd";;;;;;;2.2;;-1.53;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM414059;MM414059;CCc1cn(CC#N)nn1;HXOMERDRJFGBLZ-UHFFFAOYSA-N;136.16;0.36;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNa_SP1";;;;;;;0.04;;-2.54;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM414060;MM414060;O=CC1=CC(=O)C(O)CC1;OZHBSTDGWSTUPE-UHFFFAOYSA-N;140.14;-0.16;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP1_SNa";;;;;;;0.04;;-2.54;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM414061;MM414061;NCC12CC(=NO)CC1O2;ZLJXIOHPIYQOKU-UHFFFAOYSA-N;142.16;-0.29;;;;;DOPC;MDCG;27;1;"MARTINI bead: SP1_SNda";;;;;;;0.04;;-5.6;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM414062;MM414062;CC=C(CC)C(N)CNC;ORRNVFBILFMGGK-UHFFFAOYSA-N;142.25;0.89;;;;;DOPC;MDCG;27;1;"MARTINI bead: C5_P1";;;;;;;0.81;;-3.1;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM414063;MM414063;CCC=C1C=CC(F)C1C;NSWGSJJXGRUCNM-UHFFFAOYSA-N;140.2;2.87;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC1_SC5";;;;;;;3.68;;0.46;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM414064;MM414064;C=CCCCC(C=O)=CF;JNKPRWPYMYPBEE-UHFFFAOYSA-N;142.17;2.4;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_C3";;;;;;;2.57;;0.45;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM414065;MM414065;C=CCn1cc(CO)nn1;CEKZENXWBXOLOY-UHFFFAOYSA-N;139.16;-0.04;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP2_SNa";;;;;;;-0.24;;-3.24;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM414066;MM414066;C=CC1=CC(=C)C(F)CO1;WQXFRRZGIJKFFB-UHFFFAOYSA-N;140.16;1.98;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNa_SC5";;;;;;;1.64;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM414067;MM414067;OCC12CC(=NO)CC1O2;WIVPFUHMLRWXKJ-UHFFFAOYSA-N;143.14;-0.26;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP1_SNda";;;;;;;0.04;;-2.73;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM414068;MM414068;CCC=C1C=NN(C)C1C;BIBRINMFNPNZIM-UHFFFAOYSA-N;138.21;1.64;;;;;DOPC;MDCG;27;0;"MARTINI bead: SN0_SP1";;;;;;;0.34;;-1.53;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM414069;MM414069;CCC(=CF)C(N)CNC;YZIXDZDIEQJUGX-UHFFFAOYSA-N;146.21;0.8;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nda_P1";;;;;;;0.04;;-5.33;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM414070;MM414070;N#CCn1cc(CO)nn1;HOMLTKYGDKLODM-UHFFFAOYSA-N;138.13;-0.71;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP2_SP1";;;;;;;-1.06;;-3.82;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM414071;MM414071;C=CCCCC(C#N)=CF;XCIYGUVYHODLOY-UHFFFAOYSA-N;139.17;2.72;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_C3";;;;;;;2.57;;0.45;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM414072;MM414072;CC(C)(O)CC1CC1;OPXNDTFYZUSGER-UHFFFAOYSA-N;114.19;1.56;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda_SC5";;;;;;;1.64;;0.05;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM414073;MM414073;ON=C1CC2OC2(CF)C1;ODPJNWZCRIZKLR-UHFFFAOYSA-N;145.13;0.72;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNda_SNa";;;;;;;0.87;;-1.99;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM414074;MM414074;CC=C(CN)C(N)CNC;RBFYGWHFUVSBGE-UHFFFAOYSA-N;143.23;-0.56;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1_P2";;;;;;;-1.06;;-6.48;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM414075;MM414075;CC1C=CC(=CC#N)C1C;DTQSAANQWVXAFQ-UHFFFAOYSA-N;133.19;2.28;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC4_SC5";;;;;;;2.97;;0.45;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM414076;MM414076;N#CC(=CF)CCCC=O;RGTOIKRDQIEJEP-UHFFFAOYSA-N;141.15;1.73;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_Na";;;;;;;0.87;;-2.22;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM414077;MM414077;C=CCn1cc(CF)nn1;WXACZKYZSNNOCA-UHFFFAOYSA-N;141.15;0.93;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP1_SNa";;;;;;;0.04;;-2.54;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM414078;MM414078;C=CC1=CC(=N)N(C)CC1;QFECMKDRDCBBSD-UHFFFAOYSA-N;136.2;1.41;;;;;DOPC;MDCG;27;1;"MARTINI bead: SNd_SN0";;;;;;;1.17;;-5.44;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM414079;MM414079;CC=C1CN2CC2(CN)C1;KKLHARBXVBJEBD-UHFFFAOYSA-N;138.21;0.35;;;;;DOPC;MDCG;27;1;"MARTINI bead: SN0_SP1";;;;;;;0.34;;-3.51;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM414080;MM414080;CC=C(CN)C(O)COC;XEPSVAQNVDTPKF-UHFFFAOYSA-N;145.2;-0.1;;;;;DOPC;MDCG;27;1;"MARTINI bead: P2_Nd";;;;;;;-0.24;;-5.02;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM414082;MM414082;C=CC=C1C=CC(N)C1C;PWXJZBPZEDGMGD-UHFFFAOYSA-N;135.21;1.63;;;;;DOPC;MDCG;27;1;"MARTINI bead: SNd_SC1";;;;;;;2.91;;-0.25;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM414081;MM414081;C=CC(=CC)CCNC=N;UVTMNJMFBBKJRW-UHFFFAOYSA-N;138.21;1.71;;;;;DOPC;MDCG;27;1;"MARTINI bead: C1_P3";;;;;;;0.94;;-3.85;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM414083;MM414083;N#CCn1cc(CF)nn1;NQOYHAZPFBFZEL-UHFFFAOYSA-N;140.12;0.27;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP1_SP1";;;;;;;-0.79;;-3.13;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM414084;MM414084;CN1CCC(C=O)=CC1=N;FUSTUPUCUFLSDV-UHFFFAOYSA-N;138.17;0.42;;;;;DOPC;MDCG;27;1;"MARTINI bead: SNd_SP1";;;;;;;0.04;;-6.42;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM414085;MM414085;C=C(C)C(=NN)N(N)C=O;UCLMHRUANKBWSL-UHFFFAOYSA-N;142.16;-0.83;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4_P4";;;;;;;0.15;;-2.18;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM414086;MM414086;CC=C(CO)C(O)COC;GSLBILRMBBZTRB-UHFFFAOYSA-N;146.19;-0.07;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_Nda";;;;;;;-0.24;;-3.31;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM414087;MM414087;CC1C(=CC#N)C=CC1F;CEMIYRYTUFXEIT-UHFFFAOYSA-N;137.16;1.98;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC5_SC5";;;;;;;2.41;;0.64;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM414088;MM414088;FCCC#CC#CC1CN1;WFESMFHERYCQIY-UHFFFAOYSA-N;137.16;0.32;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4_SP1";;;;;;;1.37;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM414089;MM414089;COC(C)(CF)OC=NN;QABIHHLOYVGUCZ-UHFFFAOYSA-N;150.15;0.24;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_Na";;;;;;;0.04;;-2.54;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM414090;MM414090;CN1CCC(C#N)=CC1=N;XOSIPGRDFFLZEB-UHFFFAOYSA-N;135.17;0.75;;;;;DOPC;MDCG;27;1;"MARTINI bead: SNd_SP1";;;;;;;0.04;;-6.13;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM414091;MM414091;CN=c1cc(N)nnn1C;QQQJKUVFZBSRJI-UHFFFAOYSA-N;139.16;-1.07;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP2_SP2";;;;;;;-1.34;;-4.31;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM414092;MM414092;C=CC(=CF)CCNC=N;NJIJRUSAHXXGMY-UHFFFAOYSA-N;142.18;1.61;;;;;DOPC;MDCG;27;1;"MARTINI bead: C2_P3";;;;;;;0.86;;-4.19;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM414093;MM414093;CCC(=NO)C(C)CCF;SGMYQLYKRUBXDZ-UHFFFAOYSA-N;147.19;2.22;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_C5";;;;;;;2.41;;0.64;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM414094;MM414094;C#CC=C1C=CC(C)C1C;SEEHRKLECAYSSM-UHFFFAOYSA-N;132.21;2.39;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC4_SC3";;;;;;;3.9;;0.47;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM414095;MM414095;CNc1cn(CC#N)nn1;GZPQUKACXOGFIQ-UHFFFAOYSA-N;137.15;-0.16;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP1_SP1";;;;;;;-0.79;;-3.13;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM414096;MM414096;C=CC1=CC(=N)N(N)CC1;HXEZJCWMDDXWLQ-UHFFFAOYSA-N;137.19;0.66;;;;;DOPC;MDCG;27;1;"MARTINI bead: SP1_SN0";;;;;;;0.34;;-4.1;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM414097;MM414097;NCC12CC(=NO)CN1C2;PTZASRIZXRZZEJ-UHFFFAOYSA-N;141.17;-0.77;;;;;DOPC;MDCG;27;1;"MARTINI bead: SP2_SP3";;;;;;;-2.2;;-7.1;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM414098;MM414098;CCCC(C)C(CN)=NO;VPDJRMQHVZGQBH-UHFFFAOYSA-N;144.22;1.21;;;;;DOPC;MDCG;27;1;"MARTINI bead: C1_P3";;;;;;;0.94;;-0.99;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM414099;MM414099;CC=C(C#N)CCNC=O;SMLPAQOHVHUQCP-UHFFFAOYSA-N;138.17;0.59;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_N0";;;;;;;0.34;;-1.53;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM414100;MM414100;C#CC=C1C=CC(N)C1C;AMLQLJPBZNCEDQ-UHFFFAOYSA-N;133.19;1.08;;;;;DOPC;MDCG;27;1;"MARTINI bead: SNd_SC3";;;;;;;2.57;;-1.18;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM414101;MM414101;C=CCn1cc(OC)nn1;OJGBSQNEICHVDY-UHFFFAOYSA-N;139.16;0.47;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP1_SNa";;;;;;;0.04;;-2.54;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM414102;MM414102;C=CC1=CC(=N)N(O)CC1;PADRHNMDPKNWLB-UHFFFAOYSA-N;138.17;1.17;;;;;DOPC;MDCG;27;1;"MARTINI bead: SP1_SN0";;;;;;;0.34;;-2.65;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM414103;MM414103;OCC12CC(=NO)CN1C2;BFGGNJCOVVHTBR-UHFFFAOYSA-N;142.16;-0.73;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP2_SP3";;;;;;;-2.2;;-5.19;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM414104;MM414104;C=CC(=CC)CCNN=C;DYENMCCOXIEKQE-UHFFFAOYSA-N;138.21;1.71;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1_P2";;;;;;;1.8;;0.41;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM414105;MM414105;Cc1cn(N)c(=O)nc1N;BCUKRPQBDNMEAH-UHFFFAOYSA-N;140.15;-1.15;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP2_SNda";;;;;;;-0.24;;-3.31;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM414106;MM414106;CCC(=NNC)OCC#N;IGOGQKREEDGECI-UHFFFAOYSA-N;141.17;0.47;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_P1";;;;;;;0.81;;-0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM414107;MM414107;COc1cn(CC#N)nn1;ZHFVMBQUZPVZAA-UHFFFAOYSA-N;138.13;-0.19;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP1_SP1";;;;;;;-0.79;;-3.13;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM414108;MM414108;CC(F)C(F)C=NN;MCSHVTCRGHYPFR-UHFFFAOYSA-N;122.12;0.63;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_P1";;;;;;;0.81;;-0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM414109;MM414109;C#CC1CN1C=NC(C)=O;ZBZSLMKRBMJGCR-UHFFFAOYSA-N;136.15;-0.12;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_SP1";;;;;;;-1.06;;-3.82;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM414110;MM414110;C#CC=C1C=CC(F)C1C;UHSAQCWVEABVTB-UHFFFAOYSA-N;136.17;2.09;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC5_SC3";;;;;;;3.34;;0.48;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM414111;MM414111;C=CCC(O)C(=C)C1CC1;CPQLTCIOWYMAOR-UHFFFAOYSA-N;138.21;1.89;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda_SC4";;;;;;;2.2;;0.49;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM414112;MM414112;CCCC(N)C(CC)=NO;GCSISCLXTJCQKD-UHFFFAOYSA-N;144.22;1.35;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_Nda";;;;;;;0.87;;-4.89;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM414113;MM414113;C=CCn1ccc(CC)n1;KOZZAAGUBCIRJK-UHFFFAOYSA-N;136.2;1.63;;;;;DOPC;MDCG;27;0;"MARTINI bead: SN0_SNa";;;;;;;1.17;;-1.18;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM414114;MM414114;CCCN1CC(=O)C1;FWCZGHXAYGTKAP-UHFFFAOYSA-N;113.16;0.28;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNd_SP3";;;;;;;-1.1;;-3.93;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM414115;MM414115;C=CC12CC(=CC)CC1C2;ZSQJGQPCAZPXQE-UHFFFAOYSA-N;134.22;2.92;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC1_SC4";;;;;;;4.24;;0.42;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM414116;MM414116;C#CC=C1C=CC(F)C1N;YTUWBWSLFGPFFB-UHFFFAOYSA-N;137.16;0.78;;;;;DOPC;MDCG;27;1;"MARTINI bead: SC5_SNd";;;;;;;1.64;;-1.04;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM414117;MM414117;C=COCCC(C=C)=CC;OUYRIDPQWWSJDT-UHFFFAOYSA-N;138.21;2.67;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1_Na";;;;;;;2.91;;0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM414118;MM414118;CC=CC(C)(C)C(C)O;OLQBPHFSWWBZFZ-UHFFFAOYSA-N;128.22;1.97;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1_P1";;;;;;;2.08;;0.48;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM414119;MM414119;CCC(=NO)C(O)CCN;CGUAACVLXLZNDA-UHFFFAOYSA-N;146.19;-0.06;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1_P1";;;;;;;-0.79;;-5.59;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM414120;MM414120;C=CC(O)(CC)CC=CC;MKMFFTXIFPGYPK-UHFFFAOYSA-N;140.23;2.28;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_C2";;;;;;;3.6;;0.34;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM414121;MM414121;C#CC=C1C=NN(C)C1C;PWUJCBZRSOEUCB-UHFFFAOYSA-N;134.18;0.87;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP1_SP1";;;;;;;-0.79;;-3.13;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM414122;MM414122;C=CC12CC(=CF)CC1C2;YUFLAYCMQILWDR-UHFFFAOYSA-N;138.19;2.83;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC4_SC4";;;;;;;3.53;;0.53;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM414123;MM414123;C=C1CC(C)CC1(C)O;DGWIFYLUHJJKKA-UHFFFAOYSA-N;126.2;1.72;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC3_SNda";;;;;;;2.57;;0.44;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM414124;MM414124;C=CC(=CC)CCOC=O;CWPFOQDZKNEUHV-UHFFFAOYSA-N;140.18;1.68;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1_P1";;;;;;;2.08;;0.48;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM414125;MM414125;C=CC(C)(OC)OC=NN;NTFFMPBPOJXJRN-UHFFFAOYSA-N;144.17;0.45;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_N0";;;;;;;0.34;;-1.53;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM414126;MM414126;C#CCOC(CC)=NNC;PDCDFBYJCOLLBI-UHFFFAOYSA-N;140.19;0.58;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_N0";;;;;;;0.34;;-1.53;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM414127;MM414127;CC=C1CC2CC2(C=O)C1;NLRCVGFXFPUVEY-UHFFFAOYSA-N;136.19;1.93;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC1_SNa";;;;;;;2.91;;0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM414128;MM414128;C=C1C=CC(=CCC)C1C;XLFUQXUUUHMPBW-UHFFFAOYSA-N;134.22;3.08;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC2_SC3";;;;;;;4.53;;0.32;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM414129;MM414129;C=CC1=CC(=O)N(O)CC1;CHDHATCHFHHUQA-UHFFFAOYSA-N;139.15;0.72;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP1_SN0";;;;;;;0.34;;-1.53;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM414130;MM414130;C=COCCC(C=C)=CF;RPZKDFRSSHIAIB-UHFFFAOYSA-N;142.17;2.58;;;;;DOPC;MDCG;27;0;"MARTINI bead: C2_Na";;;;;;;2.83;;0.35;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM414131;MM414131;CNN=C(C=CC=O)OC;QEHQVVJNWZXSAP-UHFFFAOYSA-N;142.16;-0.08;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda_Na";;;;;;;0.87;;-1.99;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM414132;MM414132;N#CCn1ccc(CO)n1;BYYSEZOAXKMUQD-UHFFFAOYSA-N;137.14;-0.1;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP1_SNa";;;;;;;0.04;;-2.54;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM414133;MM414133;CC=C1CC2CC2(C#N)C1;MWTMLCPBJHPUCB-UHFFFAOYSA-N;133.19;2.26;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC1_SC5";;;;;;;3.68;;0.46;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM414134;MM414134;O=CC1=CC(=O)N(O)CC1;QOEBUXZLNLRTGN-UHFFFAOYSA-N;141.13;-0.27;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP1_SP1";;;;;;;-0.79;;-3.13;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM414135;MM414135;CCC=C1C=CC(=O)C1C;CEYVBLRKIFGSNV-UHFFFAOYSA-N;136.19;2.1;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC2_SNa";;;;;;;2.83;;0.35;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM414136;MM414136;NC(=O)C(=O)O;SOWBFZRMHSNYGE-UHFFFAOYSA-N;89.05;-1.44;;;;;DOPC;MDCG;27;0;"MARTINI bead: P3_P1";;;;;;;-1.93;;-8.95;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM414137;MM414137;C=CC(=CF)CCOC=O;ZCZIVHFFYHBGHZ-UHFFFAOYSA-N;144.15;1.59;;;;;DOPC;MDCG;27;0;"MARTINI bead: C2_P1";;;;;;;2;;0.29;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM414138;MM414138;C=CCn1ccc(CF)n1;VELSFWKEPZVHHN-UHFFFAOYSA-N;140.16;1.54;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNa_SNa";;;;;;;0.87;;-2.22;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM414139;MM414139;O=CC12CC(=CF)CC1C2;SUFMKMXYIOOEQY-UHFFFAOYSA-N;140.16;1.84;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC4_SNa";;;;;;;2.2;;0.34;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM414140;MM414140;N#CC1=CC(=O)N(O)CC1;AVORUXBLZMDFJX-UHFFFAOYSA-N;138.13;0.06;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP1_SP1";;;;;;;-0.79;;-3.13;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM414141;MM414141;N#CCn1ccc(CF)n1;BJWSKEPLUWEIRL-UHFFFAOYSA-N;139.13;0.88;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNa_SNa";;;;;;;0.87;;-2.22;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM414142;MM414142;CC1=C(C#N)N=NC1=CO;ZLVNLQBEMIXNIN-UHFFFAOYSA-N;135.13;1.65;;;;;DOPC;MDCG;27;0;"MARTINI bead: SN0_SNda";;;;;;;1.17;;-5.97;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM414143;MM414143;C=CC=C1C=CC(=C)C1C;QUXUJDWWEQBJCE-UHFFFAOYSA-N;132.21;2.86;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC3_SC4";;;;;;;3.9;;0.47;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM414144;MM414144;C=COCCC(C=O)=CC;TURQJGSCBBTDJC-UHFFFAOYSA-N;140.18;1.68;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_Na";;;;;;;0.87;;-2.22;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM414145;MM414145;C#CC1=CC(=N)N(C)CC1;GHKLHADTUWEANX-UHFFFAOYSA-N;134.18;0.86;;;;;DOPC;MDCG;27;1;"MARTINI bead: SNd_SP1";;;;;;;0.04;;-6.56;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM414146;MM414146;N#CC12CC(=CF)CC1C2;YRBWUZNPRCKEIJ-UHFFFAOYSA-N;137.16;2.16;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC4_SC5";;;;;;;2.97;;0.45;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM414147;MM414147;C=COCCC(C#N)=CC;CMJRPVQTLNYYEF-UHFFFAOYSA-N;137.18;2.01;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_Na";;;;;;;1.64;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM414148;MM414148;C=CCn1ccc(OC)n1;IYWAXQAWHWGVKY-UHFFFAOYSA-N;138.17;1.08;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNa_SNa";;;;;;;0.87;;-2.22;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM414149;MM414149;CC1C(=O)C=CC1=CC#N;CXXUDCLDHQWKIX-UHFFFAOYSA-N;133.15;1.21;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNa_SC5";;;;;;;1.64;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM414150;MM414150;CCCC(F)C(CF)=NN;DCEBWRBBXWDHGX-UHFFFAOYSA-N;150.17;1.41;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4_P1";;;;;;;1.37;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM414151;MM414151;C#CC1=CC(=N)N(N)CC1;STHKAWLVXMUBSE-UHFFFAOYSA-N;135.17;0.1;;;;;DOPC;MDCG;27;1;"MARTINI bead: SP1_SP1";;;;;;;-0.79;;-5.23;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM414152;MM414152;C=CC12CC(=NN)CC1C2;WWVAEMINASDMBC-UHFFFAOYSA-N;136.2;1.29;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNd_SC4";;;;;;;2.2;;0.32;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM414153;MM414153;CC=C(C=O)CCOC=O;QXDHTDFDAIUDQM-UHFFFAOYSA-N;142.15;0.69;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_Na";;;;;;;0.87;;-2.22;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM414154;MM414154;CNCC(C)C(CO)=NN;FXKRQDDIHLLVIY-UHFFFAOYSA-N;145.21;-0.85;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1_P1";;;;;;;-0.79;;-5.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM414155;MM414155;CN1C(=O)C=CC1=CC#N;FLGDZOXVXQDFDB-UHFFFAOYSA-N;134.14;0.42;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP1_SN0";;;;;;;0.34;;-1.53;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM414156;MM414156;COc1ccn(CC#N)n1;CTHXMSUIMYRVCB-UHFFFAOYSA-N;137.14;0.42;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNa_SNa";;;;;;;0.87;;-2.22;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM414157;MM414157;C=CC12CC(=NO)CC1C2;BYGBRZDFKSWWKT-UHFFFAOYSA-N;137.18;1.8;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNda_SC4";;;;;;;2.2;;0.49;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM414158;MM414158;CC=C(C#N)CCOC=O;GTTGRHCFNCGRAZ-UHFFFAOYSA-N;139.15;1.02;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_P1";;;;;;;0.81;;-0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM414159;MM414159;CC1=CC(C)(O)C(C)C1;ZDTPSOPVJUGXDA-UHFFFAOYSA-N;126.2;1.72;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC4_SNda";;;;;;;2.2;;0.49;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM414160;MM414160;CCC(=NN)C(O)CNC;WBJNLDAYVQSSBL-UHFFFAOYSA-N;145.21;-0.71;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1_P1";;;;;;;-0.79;;-5.08;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM414161;MM414161;C#CC=C1C=CC(=C)C1C;JVNXHQFSQWUUTF-UHFFFAOYSA-N;130.19;2.31;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC3_SC4";;;;;;;3.9;;0.47;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM414162;MM414162;C=CCn1cnc(CC)n1;JOEAKGWMFWRPGE-UHFFFAOYSA-N;137.19;1.03;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNa_SNa";;;;;;;0.87;;-2.22;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM414163;MM414163;O=CC12CC(=NO)CC1C2;FWCHNBNJBNFEED-UHFFFAOYSA-N;139.15;0.82;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNda_SNa";;;;;;;0.87;;-1.99;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM414164;MM414164;C=COCCC(C=O)=CN;SUYSFRKMZMOAKO-UHFFFAOYSA-N;141.17;0.58;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_Na";;;;;;;0.04;;-2.54;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM414165;MM414165;C#CC=C1C=CC(=O)C1C;UAPLFCPRHMPTKY-UHFFFAOYSA-N;132.16;1.32;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNa_SC4";;;;;;;2.2;;0.34;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM414166;MM414166;CNCC(O)C(CO)=NN;WYRCBFFADVWWBA-UHFFFAOYSA-N;147.18;-2.13;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1_P5";;;;;;;-1.94;;-7.51;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM414167;MM414167;C=C(C)CC1(O)CC1C;HCIRZRNKYCFCKU-UHFFFAOYSA-N;126.2;1.72;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNda_C4";;;;;;;2.2;;0.49;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM414168;MM414168;CCc1ncn(CC#N)n1;IZHABCBBJAYJHR-UHFFFAOYSA-N;136.16;0.36;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNa_SP1";;;;;;;0.04;;-2.54;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM414169;MM414169;N#CC12CC(=NO)CC1C2;ZEEJZEXNELMDNB-UHFFFAOYSA-N;136.15;1.14;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNda_SC5";;;;;;;1.64;;0.05;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM414170;MM414170;N#CC(=CN)CCOC=O;DNZMPQFUFYQPKN-UHFFFAOYSA-N;140.14;-0.08;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda_P2";;;;;;;-0.24;;-3.31;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM414171;MM414171;C=CC(F)C(C#N)=C(C)N;RKCXUYRVCGHLPV-UHFFFAOYSA-N;140.16;1.27;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nd_Na";;;;;;;0.87;;-1.88;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM414172;MM414172;C#CC1=CC(=O)N(O)CC1;ZIRPWYKNAYXPMH-UHFFFAOYSA-N;137.14;0.17;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP1_SP1";;;;;;;-0.79;;-3.13;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM414173;MM414173;C#CC=C1C=CC(=O)N1O;IEKZSXKOZOGAJJ-UHFFFAOYSA-N;135.12;0.29;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP2_SN0";;;;;;;0.06;;-2.21;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM414174;MM414174;C=CCn1cnc(CO)n1;NVQGQZNHRVFZIH-UHFFFAOYSA-N;139.16;-0.04;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP2_SNa";;;;;;;-0.24;;-3.24;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM414175;MM414175;C=CC12CC(=NC)NC1C2;SEGXYOOMOCHXBI-UHFFFAOYSA-N;136.2;0.95;;;;;DOPC;MDCG;27;1;"MARTINI bead: SNd_SP1";;;;;;;0.04;;-6.32;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM414176;MM414176;N=c1c(N)noc(=O)n1N;WBCLVKUUYSTYJW-UHFFFAOYSA-N;143.11;-2.39;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP2_SP3";;;;;;;-2.2;;-5.19;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM414177;MM414177;C#CC=C1C=NC(=O)N1N;NGGXSUUWGNYQGR-UHFFFAOYSA-N;135.13;-0.12;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP3_SN0";;;;;;;-0.8;;-2.99;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM414178;MM414178;C=COCCC(C#N)=CF;SUBZWUAENSHWEE-UHFFFAOYSA-N;141.15;1.91;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_Na";;;;;;;0.87;;-2.22;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM414179;MM414179;C=C1C=C(CC)CCC1=C;NPHXLGIHFPDDKH-UHFFFAOYSA-N;134.22;3.23;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC1_SC3";;;;;;;4.61;;0.31;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM414180;MM414180;N#CCn1cnc(CO)n1;LFESECLZSJHYLR-UHFFFAOYSA-N;138.13;-0.71;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP2_SP1";;;;;;;-1.06;;-3.82;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM414181;MM414181;Nc1noc(=O)nc1CF;UTAJIPCZHGIQJC-UHFFFAOYSA-N;145.09;-0.52;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP2_SP3";;;;;;;-2.2;;-5.19;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM414182;MM414182;C=CC12CC(=NN)NC1C2;QZWUSPGAALAYQW-UHFFFAOYSA-N;137.19;0.2;;;;;DOPC;MDCG;27;1;"MARTINI bead: SNd_SP1";;;;;;;0.04;;-4.02;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM414183;MM414183;C=CC(=CC)CCON=C;PPERNXOIKCLFKZ-UHFFFAOYSA-N;139.2;2.14;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1_P1";;;;;;;2.08;;0.48;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM414184;MM414184;C=C1C(=CC#N)C=CC1O;HTLLLYSPVZWBKK-UHFFFAOYSA-N;133.15;0.92;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNda_SC5";;;;;;;1.64;;0.05;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM414185;MM414185;C=C1C=C(CN)CCC1=C;FPLPXFWGORALEG-UHFFFAOYSA-N;135.21;1.78;;;;;DOPC;MDCG;27;1;"MARTINI bead: SNd_SC3";;;;;;;2.57;;-0.96;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM414186;MM414186;C=CCn1cnc(CF)n1;GVKAIUZRAKWSEJ-UHFFFAOYSA-N;141.15;0.93;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP1_SNa";;;;;;;0.04;;-2.54;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM414187;MM414187;C=CC(=NN)N(C=O)N=C;UTKULRDKDFQQRB-UHFFFAOYSA-N;140.15;-0.48;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nd_P2";;;;;;;-0.24;;-3.16;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM414188;MM414188;NC(=O)C(O)C(=O)C(=O)O;DQEWHPKEAAKXPL-UHFFFAOYSA-N;147.09;-2.51;;;;;DOPC;MDCG;27;0;"MARTINI bead: P4_P2";;;;;;;-2.29;;-9.61;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM414189;MM414189;C=CC(=CF)CCON=C;OANJFKPLNHCIHG-UHFFFAOYSA-N;143.16;2.05;;;;;DOPC;MDCG;27;0;"MARTINI bead: C2_P1";;;;;;;2;;0.3;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM414190;MM414190;CN1N=CC(=CC#N)C1=N;HSNDMNKTLUOAAN-UHFFFAOYSA-N;134.14;0.34;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP1_SP1";;;;;;;-0.79;;-3.13;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM414191;MM414191;CC1(C)CC2(O)CC1C2;SMUHPFAYKRVGHT-UHFFFAOYSA-N;126.2;1.56;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC2_SNda";;;;;;;2.83;;0.57;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM414192;MM414192;NCCC(N)C(=NO)NO;SQVKSDKALNRGSC-UHFFFAOYSA-N;148.17;-1.57;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1_P5";;;;;;;-1.94;;-7.57;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM414193;MM414193;CN=C1CC2(C=O)CC2N1;AFQZTOXAHMYVSO-UHFFFAOYSA-N;138.17;-0.03;;;;;DOPC;MDCG;27;1;"MARTINI bead: SNd_SP1";;;;;;;0.04;;-6.18;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM414194;MM414194;N#CCn1cnc(CF)n1;QVHBDMMBGSWMIQ-UHFFFAOYSA-N;140.12;0.27;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP1_SP1";;;;;;;-0.79;;-3.13;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM414195;MM414195;C#CC=C1C=CC(C)C1=C;MXMJLCSTNICSJK-UHFFFAOYSA-N;130.19;2.31;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC4_SC4";;;;;;;3.53;;0.53;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM414196;MM414196;C=NOCCC(C#N)=CC;ZSKFLNSJLRMWKI-UHFFFAOYSA-N;138.17;1.48;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_P1";;;;;;;0.81;;-0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM414197;MM414197;C=C1C=C(CF)CCC1=C;BROCLMFCFSYKJR-UHFFFAOYSA-N;138.19;2.79;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC4_SC3";;;;;;;3.9;;0.47;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM414198;MM414198;CN=C1CC2(C#N)CC2N1;LWUMCWXFVIMKAB-UHFFFAOYSA-N;135.17;0.29;;;;;DOPC;MDCG;27;1;"MARTINI bead: SNd_SP1";;;;;;;0.04;;-5.87;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM414199;MM414199;CN=C(NC)C(O)CCO;AURORIWXVAMHLK-UHFFFAOYSA-N;146.19;-1.02;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1_P1";;;;;;;-0.79;;-6.54;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM414200;MM414200;C#CC(C)(CC)OC=NN;TYIVKYBADVVPPO-UHFFFAOYSA-N;140.19;0.71;;;;;DOPC;MDCG;27;0;"MARTINI bead: C2_P3";;;;;;;0.86;;-0.3;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM414201;MM414201;C#CC=C1C=CN(N)C1=N;ZGNGVWDSDBJHDA-UHFFFAOYSA-N;133.15;0.23;;;;;DOPC;MDCG;27;1;"MARTINI bead: SP1_SN0";;;;;;;0.34;;-3.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM414202;MM414202;C=CCCCC(C=C)=NN;SBOOXVJGIHZMOS-UHFFFAOYSA-N;138.21;1.84;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_C3";;;;;;;3.34;;0.48;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM414203;MM414203;C=C1C=C(CC)CCC1=O;HLHSAKHMTQCEHN-UHFFFAOYSA-N;136.19;2.24;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC1_SNa";;;;;;;2.91;;0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM414204;MM414204;CNc1ncn(CC#N)n1;XKMURPRZWSYLRE-UHFFFAOYSA-N;137.15;-0.16;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP1_SP1";;;;;;;-0.79;;-3.13;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM414205;MM414205;CNC(=NC=NC=O)OC;MHQCUXRZXVYBSU-UHFFFAOYSA-N;143.15;-0.61;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_Na";;;;;;;-0.24;;-3.24;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM414206;MM414206;CN=C(NN)C(O)CCO;JOBRDTVOTVVHDH-UHFFFAOYSA-N;147.18;-1.78;;;;;DOPC;MDCG;27;1;"MARTINI bead: P2_P1";;;;;;;-1.06;;-5.55;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM414207;MM414207;C#CC=C1C=NN(C)C1=N;LOAZTBGWUSJIEY-UHFFFAOYSA-N;133.15;0.45;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP1_SP1";;;;;;;-0.79;;-3.13;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM414208;MM414208;C=C1C(C)CCC1(C)O;FMPYHJZJBVZQLR-UHFFFAOYSA-N;126.2;1.72;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC3_SNda";;;;;;;2.57;;0.44;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM414209;MM414209;C=CC(CCCC=O)=NO;MVNVTCWQFLUYQM-UHFFFAOYSA-N;141.17;1.37;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda_Na";;;;;;;0.87;;-1.99;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM414210;MM414210;C=CCn1cnc(OC)n1;UAYYJLXGWMLQKQ-UHFFFAOYSA-N;139.16;0.47;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP1_SNa";;;;;;;0.04;;-2.54;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM414211;MM414211;CCCC(O)C(=NO)NN;PKQRJUREUJSDLN-UHFFFAOYSA-N;147.18;-0.6;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_P3";;;;;;;-0.33;;-2.01;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM414212;MM414212;N#CC12CC(=NO)NC1C2;ZUSTWWRIKSCYBE-UHFFFAOYSA-N;137.14;0.05;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP1_SP1";;;;;;;-0.79;;-3.13;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM414213;MM414213;C=C1C(=O)C=CC1=CCC;YJSCXTWVJISHIF-UHFFFAOYSA-N;134.18;2.02;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC2_SNa";;;;;;;2.83;;0.35;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM414214;MM414214;C=C1C=C(CF)CCC1=O;MEJGTLXKBCYPBT-UHFFFAOYSA-N;140.16;1.8;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC4_SNa";;;;;;;2.2;;0.34;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM414215;MM414215;C=CC(CCNC=N)=NN;ZDDRSXRVQURBMN-UHFFFAOYSA-N;140.19;0.07;;;;;DOPC;MDCG;27;1;"MARTINI bead: C5_P3";;;;;;;-0.33;;-6.01;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM414216;MM414216;C#CC(=NNCCC)OC;VYVDSFJJSZKKER-UHFFFAOYSA-N;140.19;0.58;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nd_Na";;;;;;;0.87;;-1.88;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM414217;MM414217;COc1ncn(CC#N)n1;IGSAEKMMPUBQNK-UHFFFAOYSA-N;138.13;-0.19;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP1_SP1";;;;;;;-0.79;;-3.13;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM414218;MM414218;C=C1C(=O)N=CC1=CCC;HPOQJOAZMSRAOR-UHFFFAOYSA-N;135.17;1.49;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC4_SNa";;;;;;;2.2;;0.34;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM414219;MM414219;C=CC12CC(=CC)OC1C2;MNCMHLDEGBFMOD-UHFFFAOYSA-N;136.19;2.26;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC5_SN0";;;;;;;1.94;;0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM414220;MM414220;C=C1CCC(CC)=CC1=O;GXBCIKKXGZFAJM-UHFFFAOYSA-N;136.19;2.24;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC1_SNa";;;;;;;2.91;;0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM414221;MM414221;C=CC1=NOC(NC)=NC1;AXCMPHAIWNBQBT-UHFFFAOYSA-N;139.16;0.13;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP1_SN0";;;;;;;0.34;;-1.53;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM414222;MM414222;C=CCn1ncc(CC)n1;YUSPFEILIPUURU-UHFFFAOYSA-N;137.19;1.03;;;;;DOPC;MDCG;27;0;"MARTINI bead: SN0_SNa";;;;;;;1.17;;-1.18;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM414223;MM414223;CNCC(O)C(=NN)NN;AENHBSHDHPZYKO-UHFFFAOYSA-N;147.18;-2.7;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1_P4";;;;;;;-2.01;;-6.29;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM414224;MM414224;C=CC=C1C=CC(=C)C1=C;ATWNMOGNMWFPRN-UHFFFAOYSA-N;130.19;2.78;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC4_SC4";;;;;;;3.53;;0.53;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM414225;MM414225;CC=C1CC2(C=O)CC2O1;HUIAULZTVLYRRL-UHFFFAOYSA-N;138.17;1.27;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC5_SP1";;;;;;;0.81;;-0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM414226;MM414226;C=C1CCC(CO)=CC1=O;GQJDENHVYJKTMM-UHFFFAOYSA-N;138.17;0.82;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC5_SNa";;;;;;;1.64;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM414227;MM414227;C=CC(CCNC=O)=NO;SNVJDPONGQLNRN-UHFFFAOYSA-N;142.16;0.14;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_P3";;;;;;;-0.33;;-2.01;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM414228;MM414228;CCc1cnn(CC#N)n1;VGEZCXBXMSQHIC-UHFFFAOYSA-N;136.16;0.36;;;;;DOPC;MDCG;27;0;"MARTINI bead: SN0_SP1";;;;;;;0.34;;-1.53;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM414229;MM414229;CNC(=NO)C(O)COC;JVMIOQZWEBEZLT-UHFFFAOYSA-N;148.16;-1;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_P2";;;;;;;-1.34;;-4.31;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM414230;MM414230;C=C1C=CC(=CC#N)C1=C;MEVLXYVYOHVBIO-UHFFFAOYSA-N;129.16;2.12;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC4_SC5";;;;;;;2.97;;0.45;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM414231;MM414231;CC=C1CC2(C#N)CC2O1;PRPZWWOTLOLBHC-UHFFFAOYSA-N;135.17;1.59;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC5_SP1";;;;;;;0.81;;-0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM414232;MM414232;C=C1CCC(CF)=CC1=O;YGTMIFHDZSBJAK-UHFFFAOYSA-N;140.16;1.8;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC4_SNa";;;;;;;2.2;;0.34;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM414233;MM414233;C=CCn1ncc(CO)n1;QPHWPWGIXSWHQX-UHFFFAOYSA-N;139.16;-0.04;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP2_SNa";;;;;;;-0.24;;-3.24;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM414234;MM414234;CCc1n[nH]c(O)c1F;AYVUBPPEYYDSAL-UHFFFAOYSA-N;130.12;0.82;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNda_SNda";;;;;;;0.87;;-6.84;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM414235;MM414235;C=C1C(=O)C=CC1=CC#N;SGCWKJKJHLUSLP-UHFFFAOYSA-N;131.13;1.13;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNa_SC5";;;;;;;1.64;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM414236;MM414236;CN(C)n1onc(N)c1=O;ZSHXMRLQBHVIBX-UHFFFAOYSA-N;144.13;-1.38;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP3_SP1";;;;;;;-1.93;;-4.72;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM414237;MM414237;O=CC12CC(=CF)OC1C2;KZZUGLCZXJBGJP-UHFFFAOYSA-N;142.13;1.18;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNa_SP1";;;;;;;0.04;;-2.54;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM414238;MM414238;C=C1CCC(NC)=CC1=O;TUOKNDHSPYIHOP-UHFFFAOYSA-N;137.18;1.01;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC5_SNa";;;;;;;1.64;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM414239;MM414239;N#CCn1ncc(CO)n1;AVZFBXFJPBVPPJ-UHFFFAOYSA-N;138.13;-0.71;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP2_SP1";;;;;;;-1.06;;-3.82;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM414240;MM414240;C=CC(CCNN=C)=NN;VMWHHBNBWYFNHC-UHFFFAOYSA-N;140.19;0.08;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_P2";;;;;;;0.54;;-1.09;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM414241;MM414241;COCC(O)C(=NO)NN;UJCRRVHPOVQAHP-UHFFFAOYSA-N;149.15;-1.76;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_P4";;;;;;;-2.01;;-5.13;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM414242;MM414242;C=CC=C1C=NC(=N)C1=C;SELWVUOQNGVEAJ-UHFFFAOYSA-N;132.17;1.72;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC4_SNd";;;;;;;2.2;;0.34;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM414243;MM414243;C=CC1CC1C1(O)CC1C;DXYNJMHFDQOIRU-UHFFFAOYSA-N;138.21;1.58;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNda_SC4";;;;;;;2.2;;0.49;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM414244;MM414244;C=C1C=C(OC)CCC1=C;CXPIAGBZERQTAM-UHFFFAOYSA-N;136.19;2.42;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC5_SC3";;;;;;;3.34;;0.48;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM414245;MM414245;C=CCn1ncc(CF)n1;MYIGAULSOKVGFI-UHFFFAOYSA-N;141.15;0.93;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP1_SNa";;;;;;;0.04;;-2.54;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM414246;MM414246;N=c1c(O)nc(=O)on1O;QNRILSCSNGMTJM-UHFFFAOYSA-N;145.07;-1.74;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP3_SP2";;;;;;;-2.2;;-9.44;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM414247;MM414247;C=CC12CC(=C)C(=O)C1N2;WQULQMAJMDUUID-UHFFFAOYSA-N;135.17;0.41;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNd_SNa";;;;;;;0.87;;-1.88;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM414248;MM414248;C=CC12CC(=NO)OC1C2;JARIKCPSXIBWTR-UHFFFAOYSA-N;139.15;1.14;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP1_SN0";;;;;;;0.34;;-1.53;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM414249;MM414249;C=C1C(=N)N=CC1=CC#N;XBAPCCNZKOHVNV-UHFFFAOYSA-N;131.14;1.05;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNd_SN0";;;;;;;1.17;;-1.04;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM414250;MM414250;C=C1C=C(OC)CCC1=O;FFTQVPFDFOOIRX-UHFFFAOYSA-N;138.17;1.44;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC5_SNa";;;;;;;1.64;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM414251;MM414251;N#CCn1ncc(CF)n1;LBDQJKDJHKTRPA-UHFFFAOYSA-N;140.12;0.27;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP1_SP1";;;;;;;-0.79;;-3.13;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM414252;MM414252;CC=C(OC)C(C)CCF;GMLYJGIIRUCQIU-UHFFFAOYSA-N;146.21;2.53;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1_C5";;;;;;;3.68;;0.46;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM414253;MM414253;C=COCCC(C=C)=NN;FPRCZXJOASOXCB-UHFFFAOYSA-N;140.19;1.04;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_Na";;;;;;;1.64;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM414254;MM414254;C=C1C(=O)N=CC1=CC=O;CWMQCAXKCIIERV-UHFFFAOYSA-N;135.12;0.28;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNa_SNa";;;;;;;0.87;;-2.22;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM414255;MM414255;C=C1CCC(OC)=CC1=O;STZSHWQYIBPUKD-UHFFFAOYSA-N;138.17;1.44;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC5_SNa";;;;;;;1.64;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM414256;MM414256;N#CC12CC(=NO)OC1C2;KUQPRNSSXAVVAU-UHFFFAOYSA-N;138.13;0.48;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP1_SP1";;;;;;;-0.79;;-3.13;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM414257;MM414257;C=CCn1ncc(OC)n1;VUTTUIKPSFSPOX-UHFFFAOYSA-N;139.16;0.47;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP1_SNa";;;;;;;0.04;;-2.54;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM414258;MM414258;C=CC(CCOC=O)=NN;FGPBFTGFKTYOOL-UHFFFAOYSA-N;142.16;0.05;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_P1";;;;;;;0.81;;-0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM414259;MM414259;COC(=CF)C(O)CCO;MBYMGUXMGXYXOC-UHFFFAOYSA-N;150.15;0.19;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda_P1";;;;;;;0.04;;-2.73;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM414260;MM414260;C=C1C(=O)N=CC1=CC#N;SVPSTOCKNUBVOQ-UHFFFAOYSA-N;132.12;0.6;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNa_SN0";;;;;;;1.17;;-1.18;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM414261;MM414261;CNc1cc(=O)c(=O)o[nH]1;SUGGQGGODVHGRW-UHFFFAOYSA-N;142.11;-0.63;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP1_SP2";;;;;;;-1.06;;-3.82;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM414262;MM414262;C=CC12CC1CC(=NC)N2;DAQOHXCTMHNKLD-UHFFFAOYSA-N;136.2;0.95;;;;;DOPC;MDCG;27;1;"MARTINI bead: SNd_SN0";;;;;;;1.17;;-4.27;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM414263;MM414263;C=CCn1nnc(CC)n1;SZORFIKTJGRELT-UHFFFAOYSA-N;138.17;0.42;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNa_SP1";;;;;;;0.04;;-2.54;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM414264;MM414264;C=COCCC(C=C)=NO;RHWZTOOAZXICLS-UHFFFAOYSA-N;141.17;1.55;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda_Na";;;;;;;0.87;;-1.99;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM414265;MM414265;CC=C(OC)C(O)COC;LXPRTCCCWZZJDR-UHFFFAOYSA-N;146.19;0.54;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_C5";;;;;;;0.54;;-1.09;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM414266;MM414266;C#CC=C1C=CC(=C)C1=C;UHVVZAFPMUCAQX-UHFFFAOYSA-N;128.17;2.23;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC4_SC4";;;;;;;3.53;;0.53;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM414267;MM414267;C=C1CNC(NC)=NC1=N;XOPBPCHJJQUCCQ-UHFFFAOYSA-N;138.17;-0.3;;;;;DOPC;MDCG;27;1;"MARTINI bead: SNd_SP2";;;;;;;-0.24;;-6.49;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM414268;MM414268;C=CC12CC1CC(NN)=N2;LLKKDGYHUWBGBQ-UHFFFAOYSA-N;137.19;0.2;;;;;DOPC;MDCG;27;1;"MARTINI bead: SNd_SC5";;;;;;;1.64;;-1.36;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM414269;MM414269;CCc1nnn(CC#N)n1;QCYHNOKIBGJNCV-UHFFFAOYSA-N;137.15;-0.24;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNa_SP2";;;;;;;-0.24;;-3.24;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM414270;MM414270;COCC(O)C(=CF)OC;JHGCXFNTUOVCPI-UHFFFAOYSA-N;150.15;0.45;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_N0";;;;;;;0.06;;-2.21;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM414271;MM414271;CC1(CO)NC1C(=O)O;RZBXKKYGZNSBOW-UHFFFAOYSA-N;131.13;-1.21;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP2_P1";;;;;;;-1.06;;-8.43;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM414272;MM414272;CC1C=CC(C)(O)C1C;GEAJPPCSWJMRBM-UHFFFAOYSA-N;126.2;1.58;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC4_SNda";;;;;;;2.2;;0.49;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM414273;MM414273;C#CC=C1C=CC(=O)C1=C;WIONPKLPUGBDOW-UHFFFAOYSA-N;130.15;1.24;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNa_SC4";;;;;;;2.2;;0.34;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM414274;MM414274;CC=C(CF)C1NC1C=O;PWLJSZSPLSOKPK-UHFFFAOYSA-N;143.16;0.44;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4_SP2";;;;;;;1.09;;-0.38;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM414275;MM414275;C=CCn1nnc(CO)n1;KWHUZCRKOJAVKX-UHFFFAOYSA-N;140.15;-0.65;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP2_SP1";;;;;;;-1.06;;-3.82;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM414276;MM414276;COC(=NO)C(C)CCN;ONZUGUQSBUXPTM-UHFFFAOYSA-N;146.19;0.41;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nda_P1";;;;;;;0.04;;-5.64;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM414277;MM414277;C#CC=C1C=NC(=N)C1=C;FTQWMQMVEDOJAR-UHFFFAOYSA-N;130.15;1.16;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNd_SC5";;;;;;;1.64;;0.03;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM414278;MM414278;C=CC(CCON=C)=NN;FEMOLWAGUADKIG-UHFFFAOYSA-N;141.17;0.51;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_P1";;;;;;;0.81;;-0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM414279;MM414279;CN=C1CC2CC2(C=O)N1;QXBMAWSDMWSYKH-UHFFFAOYSA-N;138.17;-0.03;;;;;DOPC;MDCG;27;1;"MARTINI bead: SNd_SP1";;;;;;;0.04;;-4.96;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM414280;MM414280;N=c1nc(CF)c(O)no1;UBTLTACDCYZCOM-UHFFFAOYSA-N;145.09;-0.28;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP2_SP2";;;;;;;-1.34;;-9.14;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM414281;MM414281;CCn1nnnc(N)c1=N;KMUZTVUZFUZPFU-UHFFFAOYSA-N;140.15;-1.25;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP2_SP2";;;;;;;-1.34;;-4.31;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM414282;MM414282;C=CCn1nnc(CF)n1;FUPVUNXFOPLGSV-UHFFFAOYSA-N;142.14;0.33;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP1_SP1";;;;;;;-0.79;;-3.13;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM414283;MM414283;C#CC(=O)NC=CC(=O)O;MAAYESBEFITTPS-UHFFFAOYSA-N;139.11;-0.67;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda_P2";;;;;;;-0.24;;-7.91;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM414284;MM414284;N#Cc1[nH]oc(=O)c1F;VZKNSPPDTHWFJS-UHFFFAOYSA-N;128.06;-0.02;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNd_SP2";;;;;;;-0.24;;-7.96;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM414285;MM414285;C#CC=C1C=NC(=O)C1=C;XXBGLRCPRNVUDW-UHFFFAOYSA-N;131.13;0.71;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNa_SC5";;;;;;;1.64;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM414286;MM414286;CN=C1CC2CC2(C#N)N1;LCKKJVUIYXNVOK-UHFFFAOYSA-N;135.17;0.29;;;;;DOPC;MDCG;27;1;"MARTINI bead: SNd_SP1";;;;;;;0.04;;-4.11;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM414287;MM414287;C=CCn1nnc(OC)n1;UVKAQMLCOKDFMZ-UHFFFAOYSA-N;140.15;-0.13;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP1_SP1";;;;;;;-0.79;;-3.13;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM414288;MM414288;C#Cc1[nH]cc(NC)c1N;HGTSJMXNUSKRLB-UHFFFAOYSA-N;135.17;0.62;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNd_SNd";;;;;;;0.87;;-2.11;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM414289;MM414289;C=CCNCC(C=C)=CC;YBKNRLGXJSWECK-UHFFFAOYSA-N;137.23;1.89;;;;;DOPC;MDCG;27;1;"MARTINI bead: C1_P1";;;;;;;2.08;;-0.19;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM414290;MM414290;O=CC12CC1CC(=NO)N2;SCFCYJRCLFIVAZ-UHFFFAOYSA-N;140.14;-0.28;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP1_SP1";;;;;;;-0.79;;-3.13;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM414291;MM414291;COc1nnc(=O)oc1O;SDDBZIDKPWZVKT-UHFFFAOYSA-N;144.09;-0.86;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP3_SP2";;;;;;;-2.2;;-9.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM414292;MM414292;C#CC=C1C=NC(=O)C1=O;KWYSUTHUNJFDLS-UHFFFAOYSA-N;133.11;-0.27;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP1_SC5";;;;;;;0.81;;-0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM414293;MM414293;C#CCC1C=CC(CN)=C1;UOTPIQBSAVQPNA-UHFFFAOYSA-N;133.19;1.08;;;;;DOPC;MDCG;27;1;"MARTINI bead: SNd_SC4";;;;;;;2.2;;-1.63;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM414294;MM414294;CCNN=COCOC=O;KBGOLPPNWQKFBP-UHFFFAOYSA-N;146.15;-0.31;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda_P1";;;;;;;0.04;;-2.73;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM414295;MM414295;C=CC(=CC)CNCC#N;KHJXBWFAGCENIB-UHFFFAOYSA-N;136.2;1.23;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1_P3";;;;;;;0.94;;0.03;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM414296;MM414296;CONC(=O)C1(C#N)CO1;STSCBRADNQMKBN-UHFFFAOYSA-N;142.11;-1.04;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_SP1";;;;;;;-1.06;;-8.63;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM414297;MM414297;N#CC12CC1CC(=NO)N2;ONPSXDMQXUILDZ-UHFFFAOYSA-N;137.14;0.05;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP1_SP1";;;;;;;-0.79;;-3.13;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM414298;MM414298;C=CCC1CC=C(C)C1C;FAJRCBGNXVCBCZ-UHFFFAOYSA-N;136.24;3.16;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC1_SC2";;;;;;;4.87;;0.53;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM414299;MM414299;C#CCC1C=CC(OC)=C1;LGOMPQWCZDSHFU-UHFFFAOYSA-N;134.18;1.73;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNa_SC4";;;;;;;2.2;;0.34;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM414300;MM414300;CNCC(O)C(=NN)OC;PVEHVTWMVBJOGI-UHFFFAOYSA-N;147.18;-1.51;;;;;DOPC;MDCG;27;1;"MARTINI bead: P2_P1";;;;;;;-1.06;;-5.55;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM414301;MM414301;C=CCNCC(C=O)=CC;RXLIVRQKUBYLHW-UHFFFAOYSA-N;139.2;0.91;;;;;DOPC;MDCG;27;1;"MARTINI bead: Na_Nd";;;;;;;0.87;;-2.99;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM414302;MM414302;CC(C)C1=NC(=CO)N=N1;MJGUNBGONIMJEG-UHFFFAOYSA-N;139.16;1.86;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC5_SNda";;;;;;;1.64;;-4.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM414303;MM414303;C=CC12CC1NC(=NC)N2;DDDUZKYXODLSKG-UHFFFAOYSA-N;137.19;-0.14;;;;;DOPC;MDCG;27;1;"MARTINI bead: SP1_SP2";;;;;;;-1.06;;-7.66;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM414304;MM414304;C=CCC1CC=C(F)C1C;DILWQOIQVYQQQT-UHFFFAOYSA-N;140.2;3.07;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC1_SC4";;;;;;;4.24;;0.42;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM414305;MM414305;C#CCn1ccc(CC)c1;HHCVMEJHFBXPTH-UHFFFAOYSA-N;133.19;1.68;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC5_SC5";;;;;;;2.41;;0.64;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM414306;MM414306;COCC(O)C(=NN)OC;HYIUZPHKSILSEO-UHFFFAOYSA-N;148.16;-1.09;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_P2";;;;;;;-1.06;;-3.82;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM414307;MM414307;Cc1cc(N)c[nH]1;VCNSJOZDPSPNHO-UHFFFAOYSA-N;96.13;0.91;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNd_SP1";;;;;;;0.04;;-2.63;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM414308;MM414308;CNc1nc(=O)c(=O)o[nH]1;RZASICMDTSDZMS-UHFFFAOYSA-N;143.1;-1.24;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP2_SP3";;;;;;;-2.2;;-5.19;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM414309;MM414309;C#CCC1CC=C(C)C1N;MFNUWKYPVXKLAG-UHFFFAOYSA-N;135.21;1.3;;;;;DOPC;MDCG;27;1;"MARTINI bead: SNd_SC4";;;;;;;2.2;;-1.95;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM414310;MM414310;C=CC12CC1NC(=NN)N2;WQZCBYNFZGZGKI-UHFFFAOYSA-N;138.17;-0.89;;;;;DOPC;MDCG;27;1;"MARTINI bead: SP2_SP2";;;;;;;-1.34;;-6.73;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM414311;MM414311;C#CCn1ccc(CN)c1;QCCQVODICACLMF-UHFFFAOYSA-N;134.18;0.58;;;;;DOPC;MDCG;27;1;"MARTINI bead: SP1_SC5";;;;;;;0.81;;-2.4;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM414312;MM414312;CC=C(CC)C(C)NCC;KUWJHXLZQNSNFE-UHFFFAOYSA-N;141.26;2.34;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_C1";;;;;;;2.91;;-0.39;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM414313;MM414313;CC=C(C#N)CNCC#N;SEESDQCRRGXEBR-UHFFFAOYSA-N;135.17;0.57;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_P3";;;;;;;-0.33;;-2.01;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM414314;MM414314;C=CC1=CC(=C)C(=C)CC1;HELFCHNTDROFPI-UHFFFAOYSA-N;132.21;3.01;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC1_SC3";;;;;;;4.61;;0.31;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM414315;MM414315;C#CCC1OC=C(C)C1C;WOMGYUCHGZHKER-UHFFFAOYSA-N;136.19;1.95;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC5_SC5";;;;;;;2.41;;0.64;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM414316;MM414316;C#CCn1ccc(CO)c1;VPGDRFHIEUUXJB-UHFFFAOYSA-N;135.17;0.61;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNda_SC5";;;;;;;1.64;;0.05;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM414317;MM414317;CN=C1NC2CC2(C=O)N1;YYXOCWAJIGLVDT-UHFFFAOYSA-N;139.16;-1.13;;;;;DOPC;MDCG;27;1;"MARTINI bead: SP1_SP3";;;;;;;-1.93;;-6.82;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM414318;MM414318;CCNC(C)C(=CF)CF;RXHMFVHFXKXBCW-UHFFFAOYSA-N;149.18;1.81;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_C5";;;;;;;1.64;;-1.7;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM414319;MM414319;C#CCCC(C)(C)O;HBDIAYVNLDXHSZ-UHFFFAOYSA-N;112.17;1.17;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda_C5";;;;;;;1.64;;0.05;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM414320;MM414320;C#CCn1ccc(CF)c1;KOAHAIQJRXEKOD-UHFFFAOYSA-N;137.16;1.59;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNa_SC5";;;;;;;1.64;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM414321;MM414321;C#CCC1CC=C(C)C1=C;ZSSKDLXVOCILOD-UHFFFAOYSA-N;132.21;2.53;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC3_SC4";;;;;;;3.9;;0.47;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM414322;MM414322;C#CC1C(C(=O)C=O)N1C;NGLUTEBEDUNGPZ-UHFFFAOYSA-N;137.14;-0.93;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP1_Na";;;;;;;0.04;;-2.54;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM414323;MM414323;C=C1C=C(C=O)CCC1=C;ZWHWVVNJVFOGTK-UHFFFAOYSA-N;134.18;2.02;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC3_SNa";;;;;;;2.57;;0.45;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM414324;MM414324;CCNC(C)C(=CF)OC;JCAKHDHOEPAZKI-UHFFFAOYSA-N;147.19;1.44;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_N0";;;;;;;1.17;;-2.28;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM414325;MM414325;N#CCNCC(C#N)=CN;RTBXHXDMXJRYIA-UHFFFAOYSA-N;136.16;-0.53;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_P2";;;;;;;-1.06;;-3.82;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM414326;MM414326;CC=Cn1onc(C)c1=N;XMKLBKOPEJXZPE-UHFFFAOYSA-N;139.16;0.75;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP1_SNa";;;;;;;0.04;;-2.54;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM414327;MM414327;N#CC12CC1NC(=NO)N2;MMVHETSDEHBUQH-UHFFFAOYSA-N;138.13;-1.04;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP3_SP2";;;;;;;-2.2;;-5.19;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM414328;MM414328;C#CCn1ccc(NC)c1;HJPRSOWVFWFNRF-UHFFFAOYSA-N;134.18;1.16;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNd_SC5";;;;;;;1.64;;0.02;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM414329;MM414329;C=C1C=C(C#N)CCC1=C;FFFVQDCEDYAMEL-UHFFFAOYSA-N;131.18;2.34;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC3_SC5";;;;;;;3.34;;0.48;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM414330;MM414330;CCOC(C)C(CC)=NO;ICZXXXDFOKWLOO-UHFFFAOYSA-N;145.2;1.65;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_Nda";;;;;;;1.64;;0.05;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM414331;MM414331;C=CCNCC(C#N)=CF;RTGIKFBYIFBSSQ-UHFFFAOYSA-N;140.16;1.14;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_Nd";;;;;;;0.87;;-1.88;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM414332;MM414332;C#CCn1ccc(OC)c1;KLDIANYXBYZBSD-UHFFFAOYSA-N;135.17;1.13;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNa_SC5";;;;;;;1.64;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM414333;MM414333;CC=Cn1onc(C)c1=O;MAPPPWBYZRLWDX-UHFFFAOYSA-N;140.14;0.64;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP1_SNa";;;;;;;0.04;;-2.54;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM414334;MM414334;C=CC(=O)C1NC1C#CC;HPCWEOFGLYSVRP-UHFFFAOYSA-N;135.17;0.11;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP1_Na";;;;;;;0.04;;-2.54;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM414335;MM414335;C=CC1=CC(=C)C(=O)CC1;GYMFFKQMJALGPZ-UHFFFAOYSA-N;134.18;2.02;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC1_SNa";;;;;;;2.91;;0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM414336;MM414336;N#CCNCC(C#N)=CF;RLVGHTHKQJGIJX-UHFFFAOYSA-N;139.13;0.48;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_P3";;;;;;;-1.1;;-4.2;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM414337;MM414337;CCOC(C)C(=NO)NO;WAMFJCBJQGBMJB-UHFFFAOYSA-N;148.16;0.18;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_P4";;;;;;;-0.41;;-2.78;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM414338;MM414338;CN=Cn1onc(C)c1=N;MZDYPQIMILUGJW-UHFFFAOYSA-N;140.15;-0.23;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP3_SNa";;;;;;;-1.1;;-4.2;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM414339;MM414339;C=CC(C)(C=C)OC=NN;RSEGIYVSAAKNRY-UHFFFAOYSA-N;140.19;1.04;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1_P3";;;;;;;0.94;;0.03;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM414340;MM414340;C=C1C=C(C=O)CCC1=O;SBVSGOMETOXHED-UHFFFAOYSA-N;136.15;1.03;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNa_SNa";;;;;;;0.87;;-2.22;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM414341;MM414341;C=CC12CC1OC(=NO)N2;ZAUDMWXFYOSEHC-UHFFFAOYSA-N;140.14;0.05;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP2_SP1";;;;;;;-1.06;;-3.82;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM414342;MM414342;C=CC(=CC)CNNC=N;UTZZEBBDGXQTSI-UHFFFAOYSA-N;139.2;0.82;;;;;DOPC;MDCG;27;1;"MARTINI bead: C5_P3";;;;;;;-0.33;;-4.94;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM414343;MM414343;CCOC(C)C(=CF)OC;ZKDRGQCYCZJRJJ-UHFFFAOYSA-N;148.18;1.87;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_N0";;;;;;;1.94;;0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM414344;MM414344;CCC(C)=NN=C(C)NC;UAFSKQYYGDVKRF-UHFFFAOYSA-N;141.22;1.41;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_P1";;;;;;;0.81;;-0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM414345;MM414345;C#CCn1cnc(CF)c1;SOKADBQWKVRDQZ-UHFFFAOYSA-N;138.15;0.99;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNa_SN0";;;;;;;1.17;;-1.18;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM414346;MM414346;C#CC1NC1C(=O)C=CN;IRKVOJIUVGUUOL-UHFFFAOYSA-N;136.15;-1;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_SP3";;;;;;;-2.2;;-5.19;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM414347;MM414347;C=C1C=C(C#N)CCC1=O;ORFDCVZUGCZSCO-UHFFFAOYSA-N;133.15;1.36;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC5_SNa";;;;;;;1.64;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM414348;MM414348;CCC(=NC)N(C)CCO;GXBXDPHMXXOVHE-UHFFFAOYSA-N;144.22;0.35;;;;;DOPC;MDCG;27;1;"MARTINI bead: C5_P1";;;;;;;0.81;;-4.53;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM414349;MM414349;CC=C(C#N)CNNC=N;GVCVSTKMAUPPML-UHFFFAOYSA-N;138.17;0.16;;;;;DOPC;MDCG;27;1;"MARTINI bead: C5_P4";;;;;;;-0.41;;-5.57;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM414350;MM414350;C#CCn1cnc(NC)c1;SHXDMWNSYOXRHC-UHFFFAOYSA-N;135.17;0.56;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNda_SN0";;;;;;;1.17;;-1.13;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM414351;MM414351;Cc1non(C=NO)c1=N;XCZXGALCOXWTIW-UHFFFAOYSA-N;142.12;-0.47;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNa_SP3";;;;;;;-1.1;;-4.2;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM414352;MM414352;C=CC1=CC(=O)C(=C)CC1;SJAGCPYEVKTFTQ-UHFFFAOYSA-N;134.18;2.02;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC1_SNa";;;;;;;2.91;;0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM414353;MM414353;C=CC12CC1CC(=CC)O2;FMWKNPZFHXIWFB-UHFFFAOYSA-N;136.19;2.26;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC5_SN0";;;;;;;1.94;;0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM414354;MM414354;CC#CCOC=NNCC;PZBZTXHZFWPMNZ-UHFFFAOYSA-N;140.19;0.58;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_C5";;;;;;;0.81;;-0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM414355;MM414355;C#CCn1cnc(OC)c1;LKUHNNVREPVLAI-UHFFFAOYSA-N;136.15;0.52;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNa_SN0";;;;;;;1.17;;-1.18;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM414356;MM414356;N=CNNCC(C=O)=CN;RFOZPXWYDABNMN-UHFFFAOYSA-N;142.16;-1.27;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1_P4";;;;;;;-2.01;;-7.96;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM414357;MM414357;Cc1non(C=NN)c1=O;AMBQVGQMDAKAKH-UHFFFAOYSA-N;142.12;-1.11;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNa_SP2";;;;;;;-0.24;;-3.24;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM414358;MM414358;C=C1CCC(C=O)=CC1=O;STAYZSCSFQPPRZ-UHFFFAOYSA-N;136.15;1.03;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNa_SNa";;;;;;;0.87;;-2.22;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM414359;MM414359;C=CC12CC1CC(=CF)O2;RJOLSIAXIVIIGR-UHFFFAOYSA-N;140.16;2.16;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNa_SN0";;;;;;;1.17;;-1.18;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM414360;MM414360;CN=C(CO)N(C)CCO;QFNNYIWEPNYQGD-UHFFFAOYSA-N;146.19;-1.07;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1_P1";;;;;;;-0.79;;-5.84;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM414361;MM414361;C#CCn1cc(CC)cn1;DXNNWXOOSYVUOI-UHFFFAOYSA-N;134.18;1.08;;;;;DOPC;MDCG;27;0;"MARTINI bead: SN0_SNa";;;;;;;1.17;;-1.18;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM414362;MM414362;N#CC(=CN)CNNC=N;BXYKYKKQTGENNS-UHFFFAOYSA-N;139.16;-0.95;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1_P4";;;;;;;-2.01;;-7.96;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM414363;MM414363;Cc1non(C=NO)c1=O;ARVDXAFDVXQQPM-UHFFFAOYSA-N;143.1;-0.59;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNa_SP2";;;;;;;-0.24;;-3.24;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM414364;MM414364;C=C1CCC(C#N)=CC1=O;QFNOELHKSFBDPW-UHFFFAOYSA-N;133.15;1.36;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNa_SC5";;;;;;;1.64;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM414365;MM414365;CC=C1CC2CC2(C=O)O1;UULVDODMVRVHPQ-UHFFFAOYSA-N;138.17;1.27;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC5_SNa";;;;;;;1.64;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM414366;MM414366;C#CCn1cc(CN)cn1;GQVPFJHYBONZJT-UHFFFAOYSA-N;135.17;-0.03;;;;;DOPC;MDCG;27;1;"MARTINI bead: SP2_SNa";;;;;;;-0.24;;-4.7;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM414367;MM414367;CC1CC(O)C1(C)C;INZOOXLPRMJESJ-UHFFFAOYSA-N;114.19;1.41;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNda_SC3";;;;;;;2.57;;0.44;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM414368;MM414368;CN(CCO)C(CO)=NO;UMNWKQQLQJKJSE-UHFFFAOYSA-N;148.16;-1.31;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_P2";;;;;;;-1.34;;-4.31;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM414369;MM414369;CC=Nn1onc(C)c1=N;FCHPOXPAGSTEQD-UHFFFAOYSA-N;140.15;0.12;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP2_SNa";;;;;;;-0.24;;-3.24;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM414370;MM414370;CC=C1CC2CC2(C#N)O1;ULHUOOACFHFUKQ-UHFFFAOYSA-N;135.17;1.59;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC5_SN0";;;;;;;1.94;;0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM414371;MM414371;C=CC1=CC(=C)C(=C)CO1;HDWOMPVYFIMRDV-UHFFFAOYSA-N;134.18;2.2;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC5_SC5";;;;;;;2.41;;0.64;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM414372;MM414372;C#CC(C)(C=C)OC=NN;ARXWOXPUUPMPFY-UHFFFAOYSA-N;138.17;0.48;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda_N0";;;;;;;1.17;;-1.13;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM414373;MM414373;CCC(=NC)N(N)CCO;DDASBGYGRGAXFV-UHFFFAOYSA-N;145.21;-0.41;;;;;DOPC;MDCG;27;1;"MARTINI bead: C5_P3";;;;;;;-0.33;;-4.16;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM414374;MM414374;CC=Nn1onc(C)c1=O;DROYSGSZFTUYCD-UHFFFAOYSA-N;141.13;;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP1_SNa";;;;;;;0.04;;-2.54;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM414375;MM414375;N#CC(=CN)CNNC=O;PUVVAZPWCQLXJN-UHFFFAOYSA-N;140.15;-1.4;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_P4";;;;;;;-2.01;;-5.13;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM414376;MM414376;O=CC12CC1CC(=CF)O2;ZEUHCFKLCJOMJL-UHFFFAOYSA-N;142.13;1.18;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNa_SNa";;;;;;;0.87;;-2.22;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM414377;MM414377;C=C1C=C(C=O)OCC1=C;SHERHQPXTQKWAJ-UHFFFAOYSA-N;136.15;1.21;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC5_SNa";;;;;;;1.64;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM414378;MM414378;C#CCn1cc(CF)cn1;WZDPHGRXOXJCFT-UHFFFAOYSA-N;138.15;0.99;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNa_SNa";;;;;;;0.87;;-2.22;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM414379;MM414379;CC#CC1CC=C(C)C1C;STIMNAHLKXYLBN-UHFFFAOYSA-N;134.22;2.61;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC3_SC2";;;;;;;4.53;;0.32;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM414380;MM414380;O=CC1C=CC2(C=O)CN12;JZBYLAPHWLVOAT-UHFFFAOYSA-N;137.14;-0.62;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP2_SP1";;;;;;;-1.06;;-3.82;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM414381;MM414381;N#CC(=CF)CNNC=N;JMYCYWKIDAYRIF-UHFFFAOYSA-N;142.14;0.06;;;;;DOPC;MDCG;27;1;"MARTINI bead: Na_P4";;;;;;;-1.19;;-7.54;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM414382;MM414382;N#CC12CC1CC(=CF)O2;DNGKQFDVZXFERT-UHFFFAOYSA-N;139.13;1.5;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNa_SN0";;;;;;;1.17;;-1.18;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM414383;MM414383;C#CC1=CC(=C)C(=C)CC1;CCMBMCCMAAMARY-UHFFFAOYSA-N;130.19;2.45;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC3_SC4";;;;;;;3.9;;0.47;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM414384;MM414384;C#CCn1cc(NC)cn1;BTUSGHROONMMEP-UHFFFAOYSA-N;135.17;0.56;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNd_SNa";;;;;;;0.87;;-1.88;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM414385;MM414385;CCc1c[nH]cc1N;JKMLLCHLVXXROL-UHFFFAOYSA-N;110.16;1.16;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC5_SP1";;;;;;;0.81;;-0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM414386;MM414386;CN(C=O)C=NN;ADPWMUABPFIMAO-UHFFFAOYSA-N;101.11;-1.02;;;;;DOPC;MDCG;27;0;"MARTINI bead: P3_P1";;;;;;;-1.93;;-4.72;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM414387;MM414387;CC#CC(O)C(=O)C(=O)O;VQWIFUATNXSANG-UHFFFAOYSA-N;142.11;-0.98;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda_P2";;;;;;;-0.24;;-7.91;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM414388;MM414388;CC#CC1CC=C(C)C1N;ZRENBMMEXWUYLN-UHFFFAOYSA-N;135.21;1.3;;;;;DOPC;MDCG;27;1;"MARTINI bead: SC3_SNd";;;;;;;2.57;;-0.92;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM414389;MM414389;C#CC1=CC(=C)C(=O)CC1;KMUTWRWOWQHAJV-UHFFFAOYSA-N;132.16;1.47;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC4_SNa";;;;;;;2.2;;0.34;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM414390;MM414390;C#CCn1cc(OC)cn1;YWIKCQOIPOPOMX-UHFFFAOYSA-N;136.15;0.52;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNa_SNa";;;;;;;0.87;;-2.22;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM414391;MM414391;CC(C#N)=NNC(C)C;XIBNFJZULFZFLK-UHFFFAOYSA-N;125.18;0.88;;;;;DOPC;MDCG;27;0;"MARTINI bead: C3_P2";;;;;;;1.46;;-0.15;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM414392;MM414392;C=CC12CC1CC(=NO)O2;VDLIUPWZPWDUGI-UHFFFAOYSA-N;139.15;1.14;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP1_SN0";;;;;;;0.34;;-1.53;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM414393;MM414393;CCC12CCC(C)(O)C1C2;ZQKMYTVPNUQXBZ-UHFFFAOYSA-N;140.23;1.95;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC2_SNda";;;;;;;2.83;;0.57;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM414394;MM414394;NN=C(OC(N)=O)C(=O)O;TVDHUJOLYOQLCG-UHFFFAOYSA-N;147.09;-1.56;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_P1";;;;;;;-1.06;;-8.44;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM414395;MM414395;C#CC1=CC(=O)C(=C)CC1;VNIUXEIIFRGSKD-UHFFFAOYSA-N;132.16;1.47;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNa_SC4";;;;;;;2.2;;0.34;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM414396;MM414396;C#CCn1cc(CC)nn1;RCBQTCRKGNSDRT-UHFFFAOYSA-N;135.17;0.47;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNa_SP1";;;;;;;0.04;;-2.54;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM414397;MM414397;NN(CCO)C(CO)=NO;SFIYLYUKJPDPEL-UHFFFAOYSA-N;149.15;-2.07;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_P4";;;;;;;-2.01;;-5.13;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM414398;MM414398;CC#CC1OC=C(C)C1C;AVZSESOGGGBYJF-UHFFFAOYSA-N;136.19;1.95;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC5_SC5";;;;;;;2.41;;0.64;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM414399;MM414399;O=CC12CC1CC(=NO)O2;RRWGVPWTPQWBIY-UHFFFAOYSA-N;141.13;0.15;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP1_SNa";;;;;;;0.04;;-2.54;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM414400;MM414400;C=CC(CNNC=N)=NO;ZOFPVUMAOAGHSW-UHFFFAOYSA-N;142.16;-0.3;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nda_P4";;;;;;;-1.19;;-7.69;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM414401;MM414401;CCc1ccc(=N)n(C)c1;LJWMPNBHFHWYTE-UHFFFAOYSA-N;136.2;1.07;;;;;DOPC;MDCG;27;1;"MARTINI bead: SC5_SNd";;;;;;;1.64;;-5.7;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM414402;MM414402;C#CCn1cc(CO)nn1;DHGVQGCEQWEQMN-UHFFFAOYSA-N;137.14;-0.6;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP2_SP1";;;;;;;-1.06;;-3.82;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM414403;MM414403;CCNN=COC(C)C;IXELFNSYNZFHQW-UHFFFAOYSA-N;130.19;0.96;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nd_Na";;;;;;;0.87;;-1.88;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM414404;MM414404;CC#CC1OC=C(F)C1C;ZYEYWYGJBOMESR-UHFFFAOYSA-N;140.16;1.86;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC5_SNa";;;;;;;1.64;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM414405;MM414405;N#CC12CC1CC(=NO)O2;JSGVFSVORAQKGR-UHFFFAOYSA-N;138.13;0.48;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP1_SN0";;;;;;;0.34;;-1.53;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM414406;MM414406;C=CC(CNNC=O)=NO;JFXFMNOQUJTPIJ-UHFFFAOYSA-N;143.15;-0.75;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda_P4";;;;;;;-1.19;;-4.91;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM414407;MM414407;CCc1ccc(=N)n(N)c1;FIOWYEIHRWRLBH-UHFFFAOYSA-N;137.19;0.24;;;;;DOPC;MDCG;27;1;"MARTINI bead: SC5_SP1";;;;;;;0.81;;-4.09;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM414408;MM414408;C#CCn1cc(CF)nn1;FQIKMZVJWBLXOT-UHFFFAOYSA-N;139.13;0.38;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP1_SP1";;;;;;;-0.79;;-3.13;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM414409;MM414409;C#CCOC(C)=NNC;JAWZLPBZTXIESI-UHFFFAOYSA-N;126.16;0.19;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_N0";;;;;;;0.06;;-2.21;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM414410;MM414410;CC#Cc1[nH]cc(C)c1O;BNTCLGONVWGRPH-UHFFFAOYSA-N;135.17;1.4;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC5_SNda";;;;;;;1.64;;0.05;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM414411;MM414411;CC(C)(C)C1(O)CC1;OXAUUVOIJGZWRN-UHFFFAOYSA-N;114.19;1.56;;;;;DOPC;MDCG;27;0;"MARTINI bead: C3_SP1";;;;;;;1.74;;0.29;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM414412;MM414412;O=c1c(CO)n[nH]n1O;HRHHBEGDDZFSEV-UHFFFAOYSA-N;131.09;-1.7;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP2_SP3";;;;;;;-2.2;;-9.44;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM414413;MM414413;N=c1ccc(CO)cn1N;PVHUYIAXHWCGHQ-UHFFFAOYSA-N;139.16;-0.83;;;;;DOPC;MDCG;27;1;"MARTINI bead: SNda_SP1";;;;;;;0.04;;-6.07;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM414414;MM414414;COC(=N)NOC(C)=NN;LVVUZKPYNNYAAL-UHFFFAOYSA-N;146.15;-0.62;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_Nd";;;;;;;-0.24;;-3.16;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM414415;MM414415;CC=NNC=C(C)C=O;YMOGZQWOVQCRAY-UHFFFAOYSA-N;126.16;0.68;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nd_Na";;;;;;;0.87;;-1.88;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM414416;MM414416;CCC=C1CC=C(C)C1C;BIWIDMHFUGVXCY-UHFFFAOYSA-N;136.24;3.31;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC1_SC2";;;;;;;4.87;;0.53;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM414417;MM414417;O=CC12CC1NC(=NO)O2;VHZGSGFCNMEAJT-UHFFFAOYSA-N;142.11;-0.94;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP2_SP2";;;;;;;-1.34;;-4.31;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM414418;MM414418;C=CCOCC(C=C)=CC;JKIDENMBGXKAJQ-UHFFFAOYSA-N;138.21;2.32;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1_Na";;;;;;;2.91;;0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM414419;MM414419;N=c1ccc(CF)cn1N;KHWKWOUFQCAWEE-UHFFFAOYSA-N;141.15;0.15;;;;;DOPC;MDCG;27;1;"MARTINI bead: SNa_SP1";;;;;;;0.04;;-5.85;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM414420;MM414420;C=NNC(=N)C(F)=CF;HAEYNSRPAJLUAL-UHFFFAOYSA-N;133.1;0.95;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_P2";;;;;;;0.54;;-1.09;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM414421;MM414421;C#CCn1cc(OC)nn1;CIQMXCXDXJPLNZ-UHFFFAOYSA-N;137.14;-0.08;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP1_SP1";;;;;;;-0.79;;-3.13;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM414422;MM414422;CCC=C1CC=C(F)C1C;CZUMDYGWCCZWJD-UHFFFAOYSA-N;140.2;3.22;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC1_SC4";;;;;;;4.24;;0.42;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM414423;MM414423;N#CC12CC1NC(=NO)O2;VRKCNVCPIVVBSI-UHFFFAOYSA-N;139.11;-0.61;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP2_SP2";;;;;;;-1.34;;-4.31;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM414424;MM414424;C=CC(=CC)COCC=O;DHHPLPZBTSAKEB-UHFFFAOYSA-N;140.18;1.33;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1_P2";;;;;;;1.8;;0.4;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM414425;MM414425;CCc1ccc(=N)n(O)c1;BXUBMCOMQNAOQX-UHFFFAOYSA-N;138.17;0.77;;;;;DOPC;MDCG;27;1;"MARTINI bead: SC5_SNda";;;;;;;1.64;;-3.1;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM414426;MM414426;OCCN(O)C(CO)=NO;BCSMXXDEFJBKTJ-UHFFFAOYSA-N;150.13;-1.55;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_P3";;;;;;;-1.93;;-4.72;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM414427;MM414427;C#CCn1ccc(CC)n1;OCWRMENRNMFTFC-UHFFFAOYSA-N;134.18;1.08;;;;;DOPC;MDCG;27;0;"MARTINI bead: SN0_SNa";;;;;;;1.17;;-1.18;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM414428;MM414428;CCC=C1CC=C(C)C1N;VXVXSOUKIBAJHA-UHFFFAOYSA-N;137.23;2;;;;;DOPC;MDCG;27;1;"MARTINI bead: SC1_SNd";;;;;;;2.91;;0.12;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM414429;MM414429;O=CC12CC1OC(=NO)O2;CNQDUIOTBJAZQM-UHFFFAOYSA-N;143.1;-0.51;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP2_SP1";;;;;;;-1.06;;-3.82;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM414430;MM414430;N=c1ccc(CN)cn1O;ZDQIZDQVIGMBOL-UHFFFAOYSA-N;139.16;-0.34;;;;;DOPC;MDCG;27;1;"MARTINI bead: SP1_SNda";;;;;;;0.04;;-5.79;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM414431;MM414431;C=CC(=CC)COCC#N;MRZMBPWIRPYJFR-UHFFFAOYSA-N;137.18;1.66;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1_P3";;;;;;;0.94;;0.03;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM414432;MM414432;CCOC(CC)=NNC;MNQCOEXUFHRJHM-UHFFFAOYSA-N;130.19;0.97;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_P1";;;;;;;0.81;;-0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM414433;MM414433;C=CC(C)C1CC1(O)CC;FFHLJSRSARIZMG-UHFFFAOYSA-N;140.23;1.97;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNda_C3";;;;;;;2.57;;0.44;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM414434;MM414434;C=CC=C1CC=C(C)C1C;USRKLOGHAQAGDI-UHFFFAOYSA-N;134.22;3.08;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC2_SC4";;;;;;;4.16;;0.44;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM414435;MM414435;N#CC12CC1OC(=NO)O2;OGCBJFZZRPSOKR-UHFFFAOYSA-N;140.1;-0.19;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP2_SP1";;;;;;;-1.06;;-3.82;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM414436;MM414436;N=c1ccc(CO)cn1O;VOKZEZUVQWEXAF-UHFFFAOYSA-N;140.14;-0.3;;;;;DOPC;MDCG;27;1;"MARTINI bead: SNda_SNda";;;;;;;0.87;;-5.03;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM414437;MM414437;C=CCOCC(C=C)=CF;SMZZISHBQISZIQ-UHFFFAOYSA-N;142.17;2.23;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4_Na";;;;;;;2.2;;0.34;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM414438;MM414438;C#CCn1ccc(CF)n1;QOIHTVDQQFKHAF-UHFFFAOYSA-N;138.15;0.99;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNa_SNa";;;;;;;0.87;;-2.22;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM414439;MM414439;CN=C(NC)N(C)CCN;JRWRQAPRDTXQDY-UHFFFAOYSA-N;144.22;-0.92;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1_P1";;;;;;;-0.79;;-8.24;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM414440;MM414440;CC1C(F)=CCC1=CC#N;HGNOEEKQGJWRML-UHFFFAOYSA-N;137.16;2.33;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC4_SN0";;;;;;;2.5;;0.44;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM414441;MM414441;CC=C1CC2NC2(C=O)C1;KQYSWGJWEAVXOK-UHFFFAOYSA-N;137.18;0.64;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC1_SP1";;;;;;;2.08;;0.48;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM414442;MM414442;N=c1ccc(CF)cn1O;OIBOGSYLKJZTQX-UHFFFAOYSA-N;142.13;0.67;;;;;DOPC;MDCG;27;1;"MARTINI bead: SNda_SNa";;;;;;;0.87;;-4.91;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM414443;MM414443;C=CC(=CF)COCC#N;IYVHVMXRNVVBIO-UHFFFAOYSA-N;141.15;1.57;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4_P1";;;;;;;1.37;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM414444;MM414444;CN=C(NC)N(C)CCF;SPKQOVHYPVAULQ-UHFFFAOYSA-N;147.2;0.09;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1_C5";;;;;;;0.81;;-5.29;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM414445;MM414445;C#CCn1ccc(OC)n1;GTQRXGQNHJQEIQ-UHFFFAOYSA-N;136.15;0.52;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNa_SNa";;;;;;;0.87;;-2.22;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM414446;MM414446;CC1=CCC(=CC#N)C1O;HJUKEFSZPXMAPW-UHFFFAOYSA-N;135.17;1.15;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNda_SN0";;;;;;;1.17;;-1.13;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM414447;MM414447;CC=C1CC2NC2(C#N)C1;QZJLTLONJRSBNP-UHFFFAOYSA-N;134.18;0.96;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC1_SP1";;;;;;;2.08;;0.48;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM414448;MM414448;CNc1ccc(=N)n(C)c1;AFLKEUNUQVXTHK-UHFFFAOYSA-N;137.19;0.55;;;;;DOPC;MDCG;27;1;"MARTINI bead: SNd_SNd";;;;;;;0.87;;-7.42;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM414449;MM414449;C=CCOCC(C=O)=CC;WKFSJMWDBCFHDO-UHFFFAOYSA-N;140.18;1.33;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_Na";;;;;;;0.87;;-2.22;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM414450;MM414450;CN=C(NN)N(C)CCF;WATMFAWLXBTRLC-UHFFFAOYSA-N;148.19;-0.66;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1_Na";;;;;;;0.04;;-6.68;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM414451;MM414451;C#CCn1cnc(CC)n1;FSZZERBBKNKBIO-UHFFFAOYSA-N;135.17;0.47;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNa_SNa";;;;;;;0.87;;-2.22;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM414452;MM414452;C#CC=C1CC=C(C)C1C;OBHFFODMCOHMOL-UHFFFAOYSA-N;132.21;2.53;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC2_SC4";;;;;;;4.16;;0.44;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM414453;MM414453;CNc1ccc(=N)n(N)c1;QXWCSZQKEDQSTL-UHFFFAOYSA-N;138.17;-0.28;;;;;DOPC;MDCG;27;1;"MARTINI bead: SNd_SP1";;;;;;;0.04;;-5.69;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM414454;MM414454;O=CC12CC(=CF)CC1N2;RSUZLVHGDSAHMN-UHFFFAOYSA-N;141.15;0.54;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC4_SP1";;;;;;;1.37;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM414455;MM414455;C=CCOCC(C#N)=CC;AYDZLIVGTXQQJW-UHFFFAOYSA-N;137.18;1.66;;;;;DOPC;MDCG;27;0;"MARTINI bead: N0_Na";;;;;;;1.17;;-1.18;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM414456;MM414456;CN(CCF)C(=NN)NN;VECTZLYCPDKKAO-UHFFFAOYSA-N;149.17;-1.42;;;;;DOPC;MDCG;27;1;"MARTINI bead: C5_P4";;;;;;;-0.41;;-5.36;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM414457;MM414457;CCC(C)C1(C)NC1C=O;CSGKYFDHOLKZIC-UHFFFAOYSA-N;141.21;0.96;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1_SP2";;;;;;;1.8;;0.42;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM414458;MM414458;C#CCn1cnc(CO)n1;AHFVRJSPSMCQBF-UHFFFAOYSA-N;137.14;-0.6;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP2_SNa";;;;;;;-0.24;;-3.24;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM414459;MM414459;N#CC12CC(=CF)CC1N2;FQFXNANEPDFUSB-UHFFFAOYSA-N;138.15;0.87;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC4_SP1";;;;;;;1.37;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM414460;MM414460;CNc1ccc(=N)n(O)c1;JMWVTHLCOPMRQH-UHFFFAOYSA-N;139.16;0.25;;;;;DOPC;MDCG;27;1;"MARTINI bead: SNd_SNda";;;;;;;0.87;;-4.57;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM414461;MM414461;CC=C(C#N)COCC=O;ASSVIXIZBLKFRP-UHFFFAOYSA-N;139.15;0.67;;;;;DOPC;MDCG;27;0;"MARTINI bead: N0_P1";;;;;;;0.34;;-1.53;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM414462;MM414462;CN(CCF)C(=NN)NO;XKDXIQCQYYVDBW-UHFFFAOYSA-N;150.16;-0.9;;;;;DOPC;MDCG;27;1;"MARTINI bead: C5_P3";;;;;;;-0.33;;-3.28;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM414463;MM414463;C#CCn1cnc(CF)n1;JLKRJOASICJPOU-UHFFFAOYSA-N;139.13;0.38;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP1_SNa";;;;;;;0.04;;-2.54;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM414464;MM414464;C#CC=C1CN=C(C)N1C;YCTDJUUNGBWZTI-UHFFFAOYSA-N;134.18;0.87;;;;;DOPC;MDCG;27;1;"MARTINI bead: SP1_SNd";;;;;;;0.04;;-4.18;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM414465;MM414465;NC=C(C=O)COCC=O;QREAQYXQXCZNSE-UHFFFAOYSA-N;143.14;-0.76;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_P1";;;;;;;-1.06;;-3.82;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM414466;MM414466;COc1ccc(=N)n(C)c1;LJFSCMIBGGYLFQ-UHFFFAOYSA-N;138.17;0.51;;;;;DOPC;MDCG;27;1;"MARTINI bead: SNa_SNd";;;;;;;0.87;;-6.74;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM414467;MM414467;C=CC12CC(=NN)CC1N2;VOXLLBMYVAXRNN-UHFFFAOYSA-N;137.19;-0.01;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNd_SNd";;;;;;;0.87;;-2.11;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM414468;MM414468;CNC(=NN)N(N)CCF;ZRBPWGCGSMPUGP-UHFFFAOYSA-N;149.17;-1.42;;;;;DOPC;MDCG;27;1;"MARTINI bead: P4_C5";;;;;;;-0.41;;-5.28;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM414469;MM414469;CCN(C=O)OC(C)=NN;PFBINRMCEVOSOB-UHFFFAOYSA-N;145.16;-0.31;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_Nd";;;;;;;-0.24;;-3.16;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM414470;MM414470;C=C1C(F)=CCC1=CCC;RXLGYWVIPDESOR-UHFFFAOYSA-N;138.19;3.14;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC1_SC4";;;;;;;4.24;;0.42;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM414471;MM414471;C=CCOCC(C#N)=CF;PQMKFGCRVVSFSV-UHFFFAOYSA-N;141.15;1.57;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_Na";;;;;;;0.87;;-2.22;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM414472;MM414472;COc1ccc(=N)n(N)c1;VJRSHUYSRJVNEL-UHFFFAOYSA-N;139.16;-0.31;;;;;DOPC;MDCG;27;1;"MARTINI bead: SNa_SP1";;;;;;;0.04;;-5.08;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM414473;MM414473;C=NNC(=N)C(=C)F;NFTCOWVHKRPACB-UHFFFAOYSA-N;115.11;0.65;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_P2";;;;;;;0.54;;-1.09;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM414474;MM414474;NN=C(NN)N(N)CCO;UWOHCGQUFCHJOM-UHFFFAOYSA-N;148.17;-3.15;;;;;DOPC;MDCG;27;1;"MARTINI bead: P4_P1";;;;;;;-2.01;;-6.89;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM414475;MM414475;C#CCn1cnc(OC)n1;BSFXZZQXYIUVEL-UHFFFAOYSA-N;137.14;-0.08;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP1_SNa";;;;;;;0.04;;-2.54;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM414476;MM414476;C=CC(=CC)CONC=O;FFAGNPNLDMZGAM-UHFFFAOYSA-N;141.17;0.8;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1_P4";;;;;;;0.85;;-0.64;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM414477;MM414477;CCC=C1CC=C(F)C1=O;QTQDIGCQOWWINQ-UHFFFAOYSA-N;140.16;2.15;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC1_SNa";;;;;;;2.91;;0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM414478;MM414478;COc1ccc(=N)n(O)c1;RMDMLZNSEANMGH-UHFFFAOYSA-N;140.14;0.21;;;;;DOPC;MDCG;27;1;"MARTINI bead: SNa_SNda";;;;;;;0.87;;-4.13;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM414479;MM414479;C=CC12CC(=O)CC1N2;GGBUFMOPNZRUEQ-UHFFFAOYSA-N;123.16;0.25;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNd_SNa";;;;;;;0.87;;-1.88;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM414480;MM414480;O=CC12CC(=NO)CC1N2;UXIJBLGAXYPYCN-UHFFFAOYSA-N;140.14;-0.48;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNda_SP1";;;;;;;0.04;;-2.73;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM414481;MM414481;C#CCn1ncc(CC)n1;WNRXNIVRSHPWCS-UHFFFAOYSA-N;135.17;0.47;;;;;DOPC;MDCG;27;0;"MARTINI bead: SN0_SNa";;;;;;;1.17;;-1.18;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM414482;MM414482;C=CC(=CF)CONC=N;TUYCZEKTYPEBRK-UHFFFAOYSA-N;144.15;1.15;;;;;DOPC;MDCG;27;1;"MARTINI bead: C4_P3";;;;;;;0.23;;-2.78;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM414483;MM414483;CCc1cn(C)c(=N)cn1;AZZJIWXBKXODMB-UHFFFAOYSA-N;137.19;0.46;;;;;DOPC;MDCG;27;1;"MARTINI bead: SNa_SP2";;;;;;;-0.24;;-5.82;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM414484;MM414484;C=c1c(C)coc1=CCC;HRVULPRZRDHOBG-UHFFFAOYSA-N;136.19;1.19;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC4_SC5";;;;;;;2.97;;0.45;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM414485;MM414485;N#CC12CC(=NO)CC1N2;DOCFPWINFNNDLV-UHFFFAOYSA-N;137.14;-0.16;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNda_SP1";;;;;;;0.04;;-2.73;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM414486;MM414486;CCc1c[nH]c(C)c1N;JAGOVCCWCBRQGW-UHFFFAOYSA-N;124.19;1.47;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC5_SNd";;;;;;;1.64;;0.02;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM414487;MM414487;C#CCn1ncc(CO)n1;MMJFDCGCWLQVKM-UHFFFAOYSA-N;137.14;-0.6;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP2_SNa";;;;;;;-0.24;;-3.24;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM414488;MM414488;Cn1cc(CO)ncc1=N;YXBMFZADLGNTLB-UHFFFAOYSA-N;139.16;-0.61;;;;;DOPC;MDCG;27;1;"MARTINI bead: SP1_SP2";;;;;;;-1.06;;-6.14;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM414490;MM414490;C=c1c(F)coc1=CCC;OXORNMHHTJHHQT-UHFFFAOYSA-N;140.16;1.02;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC4_SNa";;;;;;;2.2;;0.34;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM414489;MM414489;CC=C(C=O)CONC=O;JPUXJBYJDWJNBU-UHFFFAOYSA-N;143.14;-0.19;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_P2";;;;;;;-0.24;;-3.24;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM414491;MM414491;C=CC12CC(=CC)CC1O2;YRBVGHOUQJQXRT-UHFFFAOYSA-N;136.19;2.05;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC1_SNa";;;;;;;2.91;;0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM414492;MM414492;CCCN(N)C(=NN)NO;AOLKGTGGNKDGBE-UHFFFAOYSA-N;147.18;-1.22;;;;;DOPC;MDCG;27;1;"MARTINI bead: C5_P3";;;;;;;-0.33;;-3.02;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM414493;MM414493;C#CCn1ncc(CF)n1;AZTNJUUCUBAKID-UHFFFAOYSA-N;139.13;0.38;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP1_SNa";;;;;;;0.04;;-2.54;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM414494;MM414494;N#CC(=CN)CONC=O;ZKWDWIRLBPFVBH-UHFFFAOYSA-N;141.13;-0.97;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_P2";;;;;;;-1.06;;-3.82;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM414495;MM414495;Cn1cc(CF)ncc1=N;MJMCFSLCHIWIMN-UHFFFAOYSA-N;141.15;0.37;;;;;DOPC;MDCG;27;1;"MARTINI bead: SNa_SP2";;;;;;;-0.24;;-5.5;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM414496;MM414496;C=CC=C1CC=C(C)C1=C;FPWZLJTYURGHLD-UHFFFAOYSA-N;132.21;3.01;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC3_SC4";;;;;;;3.9;;0.47;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM414497;MM414497;C=CC12CC(=CF)CC1O2;QVLLADIGBQSLOO-UHFFFAOYSA-N;140.16;1.96;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC4_SNa";;;;;;;2.2;;0.34;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM414498;MM414498;CCc1[nH]cc(C)c1N;IDHAFIKPPNZGMD-UHFFFAOYSA-N;124.19;1.47;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC5_SNd";;;;;;;1.64;;0.02;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM414499;MM414499;C#CCn1ncc(OC)n1;VKAZOSLJOBQHHD-UHFFFAOYSA-N;137.14;-0.08;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP1_SNa";;;;;;;0.04;;-2.54;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM414500;MM414500;COc1cn(C)c(=N)cn1;IVONJPCJYYGXRF-UHFFFAOYSA-N;139.16;-0.09;;;;;DOPC;MDCG;27;1;"MARTINI bead: SNa_SP2";;;;;;;-0.24;;-4.69;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM414501;MM414501;C=CCOCC(C=C)=NO;IBSBCOFVXTZQNY-UHFFFAOYSA-N;141.17;1.21;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda_Na";;;;;;;0.87;;-1.99;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM414502;MM414502;CN=C(NC)N(O)CCO;OXBZYOYHSVVIRH-UHFFFAOYSA-N;147.18;-1.12;;;;;DOPC;MDCG;27;1;"MARTINI bead: P2_P1";;;;;;;-1.06;;-6.21;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM414503;MM414503;CC=C1CC2OC2(C=O)C1;WTOCUURBFSCTMW-UHFFFAOYSA-N;138.17;1.06;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC1_SNa";;;;;;;2.91;;0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM414504;MM414504;C=C1C(C)=CCC1=CC=O;LPGWVBSRASTPLZ-UHFFFAOYSA-N;134.18;2.02;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC3_SNa";;;;;;;2.57;;0.45;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM414505;MM414505;C#CCn1nnc(CC)n1;NOEYFPVUXGZNQH-UHFFFAOYSA-N;136.16;-0.13;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNa_SP1";;;;;;;0.04;;-2.54;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM414506;MM414506;CCc1cnc(=N)n(C)c1;BVRPXBKOVNVYKM-UHFFFAOYSA-N;137.19;0.46;;;;;DOPC;MDCG;27;1;"MARTINI bead: SN0_SNda";;;;;;;1.17;;-6.92;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM414507;MM414507;C#CC(F)C1(C#C)CN1;VJAGVBSZTOBEDW-UHFFFAOYSA-N;123.13;-0.07;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_SP3";;;;;;;-1.1;;-4.2;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM414508;MM414508;C=CC(COCC=O)=NO;IUFLPUJYYAZZCY-UHFFFAOYSA-N;143.14;0.22;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda_P1";;;;;;;0.04;;-2.73;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM414509;MM414509;C=C1C(C)=CCC1=CC#N;ZMSTWWSDFHEORZ-UHFFFAOYSA-N;131.18;2.34;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC3_SN0";;;;;;;2.87;;0.37;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM414510;MM414510;O=CC12CC(=CF)CC1O2;OZGGGGHYDWCAGY-UHFFFAOYSA-N;142.13;0.97;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC4_SNa";;;;;;;2.2;;0.34;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM414511;MM414511;C#CCn1nnc(CO)n1;QJHWQMPBEOICGE-UHFFFAOYSA-N;138.13;-1.2;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP2_SP1";;;;;;;-1.06;;-3.82;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM414512;MM414512;Cn1cc(CN)cnc1=N;BSWXQPDBIOGJMQ-UHFFFAOYSA-N;138.17;-0.64;;;;;DOPC;MDCG;27;1;"MARTINI bead: SP2_SNda";;;;;;;-0.24;;-8.08;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM414513;MM414513;Cc1nc(=O)onc1O;AEDOBAJZEUPNLB-UHFFFAOYSA-N;128.09;-0.56;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP2_SP3";;;;;;;-2.2;;-9.44;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM414514;MM414514;CCCOC=NNCC;IGFANFFNAVALOL-UHFFFAOYSA-N;130.19;0.97;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_Nd";;;;;;;0.87;;-1.88;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM414515;MM414515;C=CC=C1CC=C(F)C1=C;ZUTFSZJTTHAUTN-UHFFFAOYSA-N;136.17;2.91;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC4_SC4";;;;;;;3.53;;0.53;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM414516;MM414516;N#CC12CC(=CF)CC1O2;YDKHMLSXNXRUIL-UHFFFAOYSA-N;139.13;1.29;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC4_SNa";;;;;;;2.2;;0.34;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM414517;MM414517;Cn1cc(CO)cnc1=N;WOYNEQJVYRUDNI-UHFFFAOYSA-N;139.16;-0.61;;;;;DOPC;MDCG;27;1;"MARTINI bead: SP1_SNda";;;;;;;0.04;;-7.94;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM414518;MM414518;C#CCn1nnc(CF)n1;RKNHOZQGFQSXHT-UHFFFAOYSA-N;140.12;-0.22;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP1_SP1";;;;;;;-0.79;;-3.13;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM414519;MM414519;N#CC#Cc1cc(O)on1;GJWZVSRAIRNKPO-UHFFFAOYSA-N;134.09;0.26;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNda_SNa";;;;;;;0.87;;-6.78;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM414520;MM414520;C=C1C(F)=CCC1=CC#N;VUMVBFILEFAJAS-UHFFFAOYSA-N;135.14;2.25;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC4_SN0";;;;;;;2.5;;0.44;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM414521;MM414521;C=CCOC=NNCC;QWJGBTQWMKDTPO-UHFFFAOYSA-N;128.18;0.74;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nd_Na";;;;;;;0.87;;-1.88;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM414522;MM414522;C=CC12CC(=NN)CC1O2;CVANLEFQYBHWQM-UHFFFAOYSA-N;138.17;0.42;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNd_SNa";;;;;;;0.87;;-1.88;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM414523;MM414523;Cn1cc(CF)cnc1=N;WRFMXHYUODVBQE-UHFFFAOYSA-N;141.15;0.37;;;;;DOPC;MDCG;27;1;"MARTINI bead: SNa_SNda";;;;;;;0.87;;-7.58;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM414524;MM414524;C#CCn1nnc(NC)n1;IXELVYYHEULVGW-UHFFFAOYSA-N;137.15;-0.65;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP1_SP1";;;;;;;-0.79;;-3.13;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM414525;MM414525;O=C(O)C(=O)NCC=NO;CXWNOUYBZJLLLO-UHFFFAOYSA-N;146.1;-1.35;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_P2";;;;;;;-1.06;;-8.44;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM414526;MM414526;C=c1c(C)coc1=CC#N;JHHMJWQBLJQVPF-UHFFFAOYSA-N;133.15;0.3;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC5_SN0";;;;;;;1.94;;0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM414527;MM414527;CCNN=COC1CC1;VJKUMYLARKSMRI-UHFFFAOYSA-N;128.18;0.72;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nd_SP1";;;;;;;0.04;;-2.63;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM414528;MM414528;CCc1cnc(=O)n(C)c1;RQJMSQYYVGPMJH-UHFFFAOYSA-N;138.17;0.34;;;;;DOPC;MDCG;27;0;"MARTINI bead: SN0_SP1";;;;;;;0.34;;-1.53;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM414529;MM414529;C=CC12CC(=NO)CC1O2;KMGXGYREBHSCRE-UHFFFAOYSA-N;139.15;0.93;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNda_SNa";;;;;;;0.87;;-1.99;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM414530;MM414530;C#CCn1nnc(OC)n1;AWBPHJIJOPBVBQ-UHFFFAOYSA-N;138.13;-0.69;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP1_SP1";;;;;;;-0.79;;-3.13;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM414531;MM414531;C=CCCNC(C=C)=NC;VVSNPBIJSWPWRK-UHFFFAOYSA-N;138.21;1.37;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_C3";;;;;;;2.57;;-2.88;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM414532;MM414532;Cn1cc(CN)cnc1=O;KDPODBJLLZMUTA-UHFFFAOYSA-N;139.16;-0.76;;;;;DOPC;MDCG;27;1;"MARTINI bead: SP2_SP1";;;;;;;-1.06;;-5.54;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM414533;MM414533;C=c1c(F)coc1=CC#N;WFYWAPWQXIWVLZ-UHFFFAOYSA-N;137.11;0.13;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNa_SN0";;;;;;;1.17;;-1.18;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM414534;MM414534;O=CC12CC(=NO)CC1O2;DXZQMNOMMVCZBX-UHFFFAOYSA-N;141.13;-0.05;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNda_SNa";;;;;;;0.87;;-1.99;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM414535;MM414535;OCCN(O)C(=NO)NO;MQDBMOFOCGVVJR-UHFFFAOYSA-N;151.12;-1.61;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_P5";;;;;;;-1.94;;-5.95;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM414536;MM414536;C=CC1=CC(CCC)C=C1;IGLPNQNCOURWHS-UHFFFAOYSA-N;134.22;3.08;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC2_SC4";;;;;;;4.16;;0.44;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM414537;MM414537;Nc1cn(N)nc1F;UCGFLMXFKXFUMS-UHFFFAOYSA-N;116.1;-0.68;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP1_SP1";;;;;;;-0.79;;-3.13;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM414538;MM414538;C#CC=C1CC=C(C)C1=C;KWPGTNJUFOKRFH-UHFFFAOYSA-N;130.19;2.45;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC3_SC4";;;;;;;3.9;;0.47;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM414539;MM414539;C#CC(CC)CC(C)(C)O;DXHRTTWZYHVGRC-UHFFFAOYSA-N;140.23;1.81;;;;;DOPC;MDCG;27;0;"MARTINI bead: C2_Nda";;;;;;;2.83;;0.57;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM414540;MM414540;N#CC12CC(=NO)CC1O2;LQNYZVICXLJITH-UHFFFAOYSA-N;138.13;0.27;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNda_SNa";;;;;;;0.87;;-1.99;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM414541;MM414541;Cn1cc(CO)cnc1=O;DBVVXIJEPMKXBQ-UHFFFAOYSA-N;140.14;-0.73;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP1_SP1";;;;;;;-0.79;;-3.13;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM414542;MM414542;C=CC1=CC(CCN)C=C1;ULWRCWNBEOAEIX-UHFFFAOYSA-N;135.21;1.63;;;;;DOPC;MDCG;27;1;"MARTINI bead: SNd_SC4";;;;;;;2.2;;-2.19;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM414543;MM414543;CC1C(C)C(O)C1C;TYBYLRPQTLFTFM-UHFFFAOYSA-N;114.19;1.27;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC4_SNda";;;;;;;2.2;;0.49;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM414544;MM414544;C#CC=C1CC=C(C)C1=O;RRAVMWHZTHAAEP-UHFFFAOYSA-N;132.16;1.47;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNa_SC4";;;;;;;2.2;;0.34;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM414545;MM414545;COC(=NO)N(C)CCO;JXEVSUSBTLCOCS-UHFFFAOYSA-N;148.16;-0.7;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_P1";;;;;;;-0.79;;-3.13;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM414546;MM414546;CC=C1CN2CC2(C=O)C1;NKXBQJZCLISNJD-UHFFFAOYSA-N;137.18;0.59;;;;;DOPC;MDCG;27;0;"MARTINI bead: SN0_SP1";;;;;;;0.34;;-1.53;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM414547;MM414547;Cn1cc(CF)cnc1=O;JTQNXPJBDXPBRU-UHFFFAOYSA-N;142.13;0.25;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNa_SP1";;;;;;;0.04;;-2.54;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM414548;MM414548;CC(=O)C1CN1C=O;GERFSLFUGJEXDT-UHFFFAOYSA-N;113.12;-0.58;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_SP2";;;;;;;-0.24;;-3.24;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM414549;MM414549;CCCC1C=CC(C=O)=C1;FVJYJGIUEWLKMW-UHFFFAOYSA-N;136.19;2.1;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC2_SNa";;;;;;;2.83;;0.35;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM414550;MM414550;C=CC(=C)CCC(C)(C)O;IEAKPWZEUANYFX-UHFFFAOYSA-N;140.23;2.28;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda_C3";;;;;;;2.57;;0.44;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM414551;MM414551;CC=C1CN2CC2(C#N)C1;DGAMOCHNBLGQRO-UHFFFAOYSA-N;134.18;0.91;;;;;DOPC;MDCG;27;0;"MARTINI bead: SN0_SNd";;;;;;;1.17;;-1.04;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM414552;MM414552;C#CC=c1occ(C)c1=C;HHYZFBANVAHVMW-UHFFFAOYSA-N;132.16;0.41;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC5_SC5";;;;;;;2.41;;0.64;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM414553;MM414553;CCc1cnc(=N)n(N)c1;CAWFULHDVAIXSP-UHFFFAOYSA-N;138.17;-0.36;;;;;DOPC;MDCG;27;1;"MARTINI bead: SN0_SP2";;;;;;;0.06;;-6.14;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM414554;MM414554;N#CCC1NC1C=O;VKCQVPHJFGGLBT-UHFFFAOYSA-N;110.12;-0.56;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP2_P1";;;;;;;-1.06;;-3.82;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM414555;MM414555;CCCC1C=CC(C#N)=C1;AKUMGOOSEISMJV-UHFFFAOYSA-N;133.19;2.42;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC2_SN0";;;;;;;3.13;;0.3;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM414556;MM414556;C=CC12CC(=NN)CN1C2;YLRHJYIKGILWLE-UHFFFAOYSA-N;137.19;-0.05;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP2_SNd";;;;;;;-0.24;;-3.16;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM414557;MM414557;N=c1ncc(CO)cn1N;RFZBJPMMMAUWCL-UHFFFAOYSA-N;140.15;-1.43;;;;;DOPC;MDCG;27;1;"MARTINI bead: SP1_SP2";;;;;;;-1.06;;-7.38;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM414558;MM414558;C#CC=c1occ(F)c1=C;WVRUYBOXSCMFCB-UHFFFAOYSA-N;136.13;0.24;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNa_SC5";;;;;;;1.64;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM414559;MM414559;C=C(C=O)CCC(C)(C)O;KIGXOBIBVIJFHY-UHFFFAOYSA-N;142.2;1.29;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda_Na";;;;;;;0.87;;-1.99;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM414560;MM414560;CC1NN=CC1C#N;QGNODMKQQVGQPX-UHFFFAOYSA-N;109.13;0.1;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP1_SP1";;;;;;;-0.79;;-3.13;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM414561;MM414561;C=CC1=CC(CNC)C=C1;RXBMAMMRPHYPSD-UHFFFAOYSA-N;135.21;1.5;;;;;DOPC;MDCG;27;1;"MARTINI bead: SNd_SC4";;;;;;;2.2;;-2.49;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM414562;MM414562;O=CC12CC(=NO)CN1C2;HGAZWKMKZXPAQH-UHFFFAOYSA-N;140.14;-0.53;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP3_SP1";;;;;;;-1.93;;-4.72;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM414563;MM414563;O=CCONC(C=O)=NO;KBXWIMVOCXJSKL-UHFFFAOYSA-N;146.1;-1.31;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_P2";;;;;;;-1.06;;-3.82;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM414564;MM414564;N=c1ncc(CF)cn1N;KZJFVKMQYQWRFJ-UHFFFAOYSA-N;142.14;-0.45;;;;;DOPC;MDCG;27;1;"MARTINI bead: SNa_SP2";;;;;;;-0.24;;-6.72;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM414565;MM414565;CNC=NC(=N)C(=O)OC;BEEGDQHSUVWRQE-UHFFFAOYSA-N;143.15;-0.62;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_P1";;;;;;;-1.06;;-3.82;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM414566;MM414566;C=CC(=C)CC(C)(O)C=C;ZVQFUYKPKMNKPP-UHFFFAOYSA-N;138.21;2.06;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda_C3";;;;;;;2.57;;0.44;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM414567;MM414567;CCNC1C=CC(C=O)=C1;KEWCNSGJGWGBCG-UHFFFAOYSA-N;137.18;0.66;;;;;DOPC;MDCG;27;1;"MARTINI bead: SNd_SNa";;;;;;;0.87;;-3.29;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM414568;MM414568;N#CC12CC(=NO)CN1C2;FXPVENMKGUWISF-UHFFFAOYSA-N;137.14;-0.2;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP3_SNd";;;;;;;-1.1;;-3.93;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM414569;MM414569;C=CCC1=CCC(N)C1C;BBGRJXMCGNODLN-UHFFFAOYSA-N;137.23;1.86;;;;;DOPC;MDCG;27;1;"MARTINI bead: SNd_SC1";;;;;;;2.91;;-0.74;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM414570;MM414570;C=CCCOC(C=C)=CC;BYDZQNDWFNJHNL-UHFFFAOYSA-N;138.21;2.67;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_C3";;;;;;;3.34;;0.48;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM414571;MM414571;CCc1cnc(=O)n(N)c1;YAQUDVATLHMXJV-UHFFFAOYSA-N;139.16;-0.48;;;;;DOPC;MDCG;27;0;"MARTINI bead: SN0_SP2";;;;;;;0.06;;-2.21;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM414572;MM414572;CC=NNC(=N)C(C)(F)F;UCNOIZUESIAAIN-UHFFFAOYSA-N;149.14;1.21;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nd_Nd";;;;;;;0.87;;-2.11;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM414573;MM414573;C=Cc1ccn(CCC)c1;UANAIZHIBDJOGB-UHFFFAOYSA-N;135.21;2.54;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC4_SN0";;;;;;;2.5;;0.44;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM414574;MM414574;C=CC12CC(=NC)NN1C2;SDMYFNDVYRUFCK-UHFFFAOYSA-N;137.19;0.16;;;;;DOPC;MDCG;27;1;"MARTINI bead: SP2_SP2";;;;;;;-1.34;;-6.49;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM414575;MM414575;CC(CF)CON=CCF;WLIXKEJATREEIJ-UHFFFAOYSA-N;151.16;1.56;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4_P1";;;;;;;1.37;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM414576;MM414576;C=CC(=CC)OCCC=O;JSNPQWMMBRNHIO-UHFFFAOYSA-N;140.18;1.68;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_Na";;;;;;;1.64;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM414577;MM414577;CCC1(O)C=CC(C)C1;INKKFYUZHWBEPS-UHFFFAOYSA-N;126.2;1.72;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC5_SC4";;;;;;;2.97;;0.45;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM414578;MM414578;CCNN=COC(C)(C)C;RROGQOIOTRFWOK-UHFFFAOYSA-N;144.22;1.35;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nd_Na";;;;;;;0.87;;-1.88;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM414579;MM414579;CCCn1ccc(C=O)c1;LZILQGJJPDKITG-UHFFFAOYSA-N;137.18;1.71;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC4_SNa";;;;;;;2.2;;0.34;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM414580;MM414580;C#CCC1=CCC(C)C1C;RPKWVNAVESOTRW-UHFFFAOYSA-N;134.22;2.61;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC4_SC3";;;;;;;3.9;;0.47;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM414581;MM414581;C#CC(C)OC(C)=NNC;ZMCYSXQWOWHEQW-UHFFFAOYSA-N;140.19;0.58;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_C5";;;;;;;0.54;;-1.09;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM414582;MM414582;CN=C1CC2(C=O)CN2N1;SYJHGOSUKVZVFM-UHFFFAOYSA-N;139.16;-0.82;;;;;DOPC;MDCG;27;1;"MARTINI bead: SP2_SP2";;;;;;;-1.34;;-6.39;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM414583;MM414583;C=CCCOC(C=O)=CC;XKJAOPFOISFEHX-UHFFFAOYSA-N;140.18;1.68;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_C3";;;;;;;1.74;;0.29;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM414584;MM414584;Nn1cc(CF)cnc1=O;KOYUGXNCWCCURN-UHFFFAOYSA-N;143.12;-0.57;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNa_SP2";;;;;;;-0.24;;-3.24;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM414585;MM414585;CCCn1ccc(C#N)c1;JASRFPZUPPAHAB-UHFFFAOYSA-N;134.18;1.77;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC4_SN0";;;;;;;2.5;;0.44;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM414586;MM414586;C#CCC1=CCC(N)C1C;DNQIUROKUWLCPI-UHFFFAOYSA-N;135.21;1.3;;;;;DOPC;MDCG;27;1;"MARTINI bead: SNd_SC3";;;;;;;2.57;;-1.71;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM414587;MM414587;CN=C1CC2(C#N)CN2N1;RCRDMKNQKJHDHR-UHFFFAOYSA-N;136.16;-0.5;;;;;DOPC;MDCG;27;1;"MARTINI bead: SP2_SP2";;;;;;;-1.34;;-6.17;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM414588;MM414588;CNC(=NC=N)OC(C)=O;PFVPETXFEGQJQR-UHFFFAOYSA-N;143.15;-0.27;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_Na";;;;;;;-0.24;;-3.24;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM414589;MM414589;C=CCCOC(C#N)=CC;SGRQIKAPEUCKRK-UHFFFAOYSA-N;137.18;2.01;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_C3";;;;;;;2.57;;0.45;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM414590;MM414590;CCc1cnc(=N)n(O)c1;IEEIDTRFCWNNMH-UHFFFAOYSA-N;139.16;0.16;;;;;DOPC;MDCG;27;1;"MARTINI bead: SN0_SP2";;;;;;;0.06;;-5.73;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM414591;MM414591;C=Cc1ccn(NCC)c1;CQYXGVAQOCWQAJ-UHFFFAOYSA-N;136.2;1.69;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNd_SN0";;;;;;;1.17;;-1.04;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM414592;MM414592;CCC(F)CON=CCF;KNDNETUHBIYQGC-UHFFFAOYSA-N;151.16;1.71;;;;;DOPC;MDCG;27;0;"MARTINI bead: C2_P1";;;;;;;2;;0.29;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM414593;MM414593;COC(=NO)N(O)CCO;WRURVEWEYGOHDE-UHFFFAOYSA-N;150.13;-0.94;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_P1";;;;;;;-1.06;;-3.82;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM414594;MM414594;N#CC12CC(=NO)NN1C2;AWGSCTRHETWKHE-UHFFFAOYSA-N;138.13;-0.74;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP3_SP2";;;;;;;-2.2;;-5.19;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM414595;MM414595;CC=C(C=O)OCCC=O;LDEUAIPCCYYDLK-UHFFFAOYSA-N;142.15;0.69;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_Na";;;;;;;0.87;;-2.22;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM414596;MM414596;N=c1ncc(CN)cn1O;LLWZLZYABHGBAY-UHFFFAOYSA-N;140.15;-0.94;;;;;DOPC;MDCG;27;1;"MARTINI bead: SP2_SP2";;;;;;;-1.34;;-7.63;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM414597;MM414597;C#CCC1=CCC(C)C1N;CQEZFZWXFOXKRM-UHFFFAOYSA-N;135.21;1.3;;;;;DOPC;MDCG;27;1;"MARTINI bead: SC4_SNd";;;;;;;2.2;;-1.95;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM414598;MM414598;CCNn1ccc(C=O)c1;ACRJXDSXGCGETF-UHFFFAOYSA-N;138.17;0.86;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNd_SNa";;;;;;;0.87;;-1.88;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM414599;MM414599;C#CC12CC(=CC)CC1C2;PCBDSCDIZHMSLZ-UHFFFAOYSA-N;132.21;2.37;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC1_SC4";;;;;;;4.24;;0.42;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM414600;MM414600;CCNN(C)C(=NN)NN;TWAUMDLGRIGMFL-UHFFFAOYSA-N;146.2;-1.86;;;;;DOPC;MDCG;27;1;"MARTINI bead: C5_P4";;;;;;;-0.41;;-5.22;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM414601;MM414601;CC=C(C#N)OCCC=O;HNCXPOZZZOUIET-UHFFFAOYSA-N;139.15;1.02;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_Na";;;;;;;0.87;;-2.22;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM414602;MM414602;N=c1ncc(CO)cn1O;CNPIMXDSXMCUGJ-UHFFFAOYSA-N;141.13;-0.91;;;;;DOPC;MDCG;27;1;"MARTINI bead: SP1_SP2";;;;;;;-1.06;;-6.95;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM414603;MM414603;C#CCC1=CCC(F)C1N;MTYGMVOZCNYBEJ-UHFFFAOYSA-N;139.17;1.01;;;;;DOPC;MDCG;27;1;"MARTINI bead: SC5_SNd";;;;;;;1.64;;-1.15;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM414604;MM414604;CCNn1ccc(C#N)c1;XRSZTCSNSJUEPJ-UHFFFAOYSA-N;135.17;0.92;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNd_SN0";;;;;;;1.17;;-1.04;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM414605;MM414605;C#CC12CC(=CF)CC1C2;FEFPFXBRDCIZNT-UHFFFAOYSA-N;136.17;2.27;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC4_SC4";;;;;;;3.53;;0.53;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM414606;MM414606;CCNN(C)C(=NN)NO;JIPXXNPHKMNVID-UHFFFAOYSA-N;147.18;-1.35;;;;;DOPC;MDCG;27;1;"MARTINI bead: C5_P3";;;;;;;-0.33;;-3.11;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM414607;MM414607;NC=C(C=O)OCCC=O;GODDLFPNAXKBKE-UHFFFAOYSA-N;143.14;-0.41;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_Na";;;;;;;-0.24;;-3.24;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM414608;MM414608;N=c1ncc(CF)cn1O;HIBNGSHIQJKDPX-UHFFFAOYSA-N;143.12;0.07;;;;;DOPC;MDCG;27;1;"MARTINI bead: SNa_SP2";;;;;;;-0.24;;-6.29;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM414609;MM414609;C#CCC1=COC(C)C1C;VCMNZEBBTJNPMB-UHFFFAOYSA-N;136.19;1.95;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNa_SC5";;;;;;;1.64;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM414610;MM414610;C=Cc1cn(CCC)cn1;AWAQTGWPMQUCEG-UHFFFAOYSA-N;136.2;1.94;;;;;DOPC;MDCG;27;0;"MARTINI bead: SN0_SNa";;;;;;;1.17;;-1.18;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM414611;MM414611;N#CCCOC(C=O)=CN;HOSKUKOJVVVSML-UHFFFAOYSA-N;140.14;-0.08;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda_P2";;;;;;;-0.24;;-3.31;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM414612;MM414612;C#CC12CC(=NN)CC1C2;LEFOWMGWSVWPTG-UHFFFAOYSA-N;134.18;0.73;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNd_SC4";;;;;;;2.2;;0.32;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM414613;MM414613;CC1CC1C1(C)CC1(C)O;VZHFKSMLMJPIIL-UHFFFAOYSA-N;140.23;1.8;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC5_SNda";;;;;;;1.64;;0.05;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM414614;MM414614;CCCC1=NC(=CO)N=N1;BULPYLOMFYFZFG-UHFFFAOYSA-N;139.16;2.01;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC4_SNda";;;;;;;2.2;;-4.29;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM414615;MM414615;CCCn1cnc(C=O)c1;VLWJUYLXFWFDSW-UHFFFAOYSA-N;138.17;1.11;;;;;DOPC;MDCG;27;0;"MARTINI bead: SN0_SP1";;;;;;;0.34;;-1.53;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM414616;MM414616;C#CCC1=COC(C)C1N;VBQRVCITMFVPCW-UHFFFAOYSA-N;137.18;0.64;;;;;DOPC;MDCG;27;1;"MARTINI bead: SNa_SNd";;;;;;;0.87;;-3.62;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM414617;MM414617;C#CC12CC(=NO)CC1C2;JASQWPVXXZQCHQ-UHFFFAOYSA-N;135.17;1.25;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNda_SC4";;;;;;;2.2;;0.49;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM414618;MM414618;C=Cc1c[nH]cc1N;WDCBMTTWGIWBCH-UHFFFAOYSA-N;108.14;1.24;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP1_SN0";;;;;;;0.34;;-1.53;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM414619;MM414619;CCON(C)C(=NC)NC;HVBVGURHHAAPNR-UHFFFAOYSA-N;145.21;0.07;;;;;DOPC;MDCG;27;1;"MARTINI bead: C5_P1";;;;;;;0.81;;-3.62;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM414620;MM414620;NC(=NNC=O)C(=O)O;GJVAOPWIMWWMPF-UHFFFAOYSA-N;131.09;-1.91;;;;;DOPC;MDCG;27;0;"MARTINI bead: P3_P1";;;;;;;-1.93;;-8.99;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM414621;MM414621;CCCn1cnc(C#N)c1;ZYEPMGMZZKBQQJ-UHFFFAOYSA-N;135.17;1.16;;;;;DOPC;MDCG;27;0;"MARTINI bead: SN0_SNa";;;;;;;1.17;;-1.18;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM414622;MM414622;C#CCC1=NOC(C)C1C;DMJDNSZSTQROHM-UHFFFAOYSA-N;137.18;1.42;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNa_SN0";;;;;;;1.17;;-1.18;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM414623;MM414623;C=CCCOC(C#N)=CF;QZFIUFFINXGGTK-UHFFFAOYSA-N;141.15;1.91;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_C3";;;;;;;2.57;;0.45;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM414624;MM414624;C#CC12CC(=NC)NC1C2;KINNNQWSHBJIPL-UHFFFAOYSA-N;134.18;0.4;;;;;DOPC;MDCG;27;1;"MARTINI bead: SNd_SN0";;;;;;;1.17;;-4.39;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM414625;MM414625;CCON(C)C(=NC)OC;PFOOHMSYBXTFHH-UHFFFAOYSA-N;146.19;0.5;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_Na";;;;;;;0.87;;-2.22;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM414626;MM414626;C=Cc1cn(NCC)cn1;QWUDWFKUNLKXAL-UHFFFAOYSA-N;137.19;1.09;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP1_SNa";;;;;;;0.04;;-2.54;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM414627;MM414627;CNc1cnc(=N)n(C)c1;LDSDIWJNKMMBLU-UHFFFAOYSA-N;138.17;-0.06;;;;;DOPC;MDCG;27;1;"MARTINI bead: SNd_SNda";;;;;;;0.87;;-7.36;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM414628;MM414628;C#CCC1=CCN(C)C1C;CIOLGYVIMOOXNH-UHFFFAOYSA-N;135.21;1.27;;;;;DOPC;MDCG;27;1;"MARTINI bead: SNd_SP1";;;;;;;0.04;;-4.71;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM414629;MM414629;N#CCCOC(C=O)=CF;MVZIKOLFVGHBGE-UHFFFAOYSA-N;143.12;0.93;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_Na";;;;;;;0.87;;-2.22;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM414630;MM414630;C#CC12CC(=NN)NC1C2;ZCFFKGPOFSSFAK-UHFFFAOYSA-N;135.17;-0.36;;;;;DOPC;MDCG;27;1;"MARTINI bead: SNd_SN0";;;;;;;1.17;;-2.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM414631;MM414631;CC=COC=NNC(C)C;XZPYFMCCWUBQQU-UHFFFAOYSA-N;142.2;1.48;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_Nd";;;;;;;0.87;;-1.88;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM414632;MM414632;CCNn1cnc(C#N)c1;VXACEBOZAPIFRX-UHFFFAOYSA-N;136.16;0.32;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP1_SNa";;;;;;;0.04;;-2.54;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM414633;MM414633;CNc1cnc(=O)n(C)c1;SJCAFMNMDYTUGD-UHFFFAOYSA-N;139.16;-0.18;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNd_SP1";;;;;;;0.04;;-2.63;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM414634;MM414634;C=C1CC=C(CCC)C1C;NLPBHTSOWPZMGS-UHFFFAOYSA-N;136.24;3.31;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC1_SC4";;;;;;;4.24;;0.42;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM414635;MM414635;N#CC(=CF)OCCC=O;OXFQMUXKMPBSHM-UHFFFAOYSA-N;143.12;0.93;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_Na";;;;;;;0.87;;-2.22;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM414636;MM414636;CC(=O)N(C)C=NN;DBKIWRHRSGNWET-UHFFFAOYSA-N;115.14;-0.63;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_P1";;;;;;;-1.06;;-3.82;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM414637;MM414637;CC=C(CF)C(C)CC=O;ORXGDVGRBSGWEO-UHFFFAOYSA-N;144.19;2.13;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1_Na";;;;;;;2.91;;0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM414638;MM414638;CNc1cnc(=N)n(N)c1;LENXIQJCLWXWER-UHFFFAOYSA-N;139.16;-0.88;;;;;DOPC;MDCG;27;1;"MARTINI bead: SNd_SP2";;;;;;;-0.24;;-6.56;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM414639;MM414639;C=Cc1cnn(CCC)c1;AVXXXVAUAJPWCV-UHFFFAOYSA-N;136.2;1.94;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC5_SN0";;;;;;;1.94;;0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM414640;MM414640;C=COCOC(C=C)=CC;BYKUWWIGQSRHAA-UHFFFAOYSA-N;140.18;2.21;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_Na";;;;;;;1.64;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM414641;MM414641;CCCC1=CNC(=N)C1C;WOWKMFXWUWCNIH-UHFFFAOYSA-N;138.21;1.89;;;;;DOPC;MDCG;27;1;"MARTINI bead: SN0_SNd";;;;;;;1.17;;-4.8;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM414642;MM414642;CC(CC=O)C(=CF)CF;UKRBQIRYYZNCCY-UHFFFAOYSA-N;148.15;2.03;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_C5";;;;;;;1.64;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM414643;MM414643;C#CC12CC(=CC)OC1C2;HAVGPBDBQHRUQP-UHFFFAOYSA-N;134.18;1.7;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC5_SN0";;;;;;;1.94;;0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM414644;MM414644;CNc1cnc(=O)n(N)c1;RYWAJZMCRRDBTO-UHFFFAOYSA-N;140.15;-1;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNd_SP2";;;;;;;-0.24;;-3.16;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM414645;MM414645;CCCn1cc(C=O)cn1;VGOOENCTKLBWEI-UHFFFAOYSA-N;138.17;1.11;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC5_SP1";;;;;;;0.81;;-0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM414646;MM414646;C=COCOC(C#N)=CC;HUYXEADCCXRXIR-UHFFFAOYSA-N;139.15;1.55;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_Na";;;;;;;0.87;;-2.22;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM414647;MM414647;C=CCC(N)C(=CF)CC;HKWMJYDNLDZHRM-UHFFFAOYSA-N;143.21;2.15;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nda_C4";;;;;;;2.2;;-1.65;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM414648;MM414648;C#CC12CC(=CF)OC1C2;UVQLVHZHTJOIAE-UHFFFAOYSA-N;138.14;1.61;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNa_SN0";;;;;;;1.17;;-1.18;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM414649;MM414649;C=C1OC=C(CCC)C1C;VNQZOOPRXDHXOF-UHFFFAOYSA-N;138.21;2.85;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC4_SC5";;;;;;;2.97;;0.45;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM414650;MM414650;CNc1cnc(=N)n(O)c1;SXJZNTUTBPKBPF-UHFFFAOYSA-N;140.15;-0.36;;;;;DOPC;MDCG;27;1;"MARTINI bead: SNd_SP2";;;;;;;-0.24;;-6.13;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM414651;MM414651;CCCn1cc(C#N)cn1;QDIFTTNTLQUKBD-UHFFFAOYSA-N;135.17;1.16;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC5_SP1";;;;;;;0.81;;-0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM414652;MM414652;C=COCOC(C=O)=CN;ZZWGEERCICBWKD-UHFFFAOYSA-N;143.14;0.12;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda_P2";;;;;;;-0.24;;-3.31;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM414653;MM414653;CC(=NN)N(N)C=O;JOBAZYVIUMJDLB-UHFFFAOYSA-N;116.12;-1.39;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nd_P4";;;;;;;-1.19;;-4.91;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM414654;MM414654;C=CCC(N)C(=CF)CN;IZDCCBOWWDYNIB-UHFFFAOYSA-N;144.19;0.7;;;;;DOPC;MDCG;27;1;"MARTINI bead: P2_Nda";;;;;;;-0.24;;-5.56;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM414655;MM414655;C=CCC1=CCC(=C)C1C;IQCAXURASAQYLQ-UHFFFAOYSA-N;134.22;3.08;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC4_SC3";;;;;;;3.9;;0.47;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM414656;MM414656;Cc1nonc1O;YSWCOZLKVYMBMP-UHFFFAOYSA-N;100.08;0.08;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNa_SP1";;;;;;;0.04;;-7.54;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM414657;MM414657;C=Cc1cn(CCC)nn1;FRNQMBWIBUUOFF-UHFFFAOYSA-N;137.19;1.33;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNa_SP1";;;;;;;0.04;;-2.54;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM414658;MM414658;C=COCOC(C#N)=CF;VLAJNKYGYOOTJS-UHFFFAOYSA-N;143.12;1.46;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_Na";;;;;;;0.87;;-2.22;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM414659;MM414659;C#CC12CC(=NO)OC1C2;RBNYXACPPVFUPY-UHFFFAOYSA-N;137.14;0.59;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP1_SN0";;;;;;;0.34;;-1.53;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM414660;MM414660;C=CCC(N)C(=CC)CF;GFTHVYQYLUQVIU-UHFFFAOYSA-N;143.21;1.81;;;;;DOPC;MDCG;27;1;"MARTINI bead: C4_Nd";;;;;;;2.2;;-1.82;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM414661;MM414661;C=C1CC=C(CC#N)C1C;KFZKJJOUAPYFNI-UHFFFAOYSA-N;133.19;2.42;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC4_SC5";;;;;;;2.97;;0.45;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM414662;MM414662;COc1cnc(=N)n(C)c1;ARUZWGFSMUUVTH-UHFFFAOYSA-N;139.16;-0.09;;;;;DOPC;MDCG;27;1;"MARTINI bead: SNa_SNda";;;;;;;0.87;;-6.46;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM414663;MM414663;CCCn1cc(C=O)nn1;RVYPXKJNPYRZLH-UHFFFAOYSA-N;139.16;0.5;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNa_SP1";;;;;;;0.04;;-2.54;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM414664;MM414664;NNC(=O)CC#CC(=O)O;QUPPZDDEFHNFPQ-UHFFFAOYSA-N;142.11;-1.55;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_P1";;;;;;;-1.06;;-8.44;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM414665;MM414665;C#CC12CC1CC(=NC)N2;HJYKJNKGVUUOJV-UHFFFAOYSA-N;134.18;0.4;;;;;DOPC;MDCG;27;1;"MARTINI bead: SNd_SN0";;;;;;;1.17;;-3.15;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM414666;MM414666;C=CCC1=CCC(=C)C1N;AGLJFRYZMQOJCG-UHFFFAOYSA-N;135.21;1.78;;;;;DOPC;MDCG;27;1;"MARTINI bead: SC5_SC5";;;;;;;2.41;;0.24;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM414667;MM414667;COc1cnc(=O)n(C)c1;SJZHUFWWIOFBOD-UHFFFAOYSA-N;140.14;-0.21;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNa_SP1";;;;;;;0.04;;-2.54;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM414668;MM414668;C=CCC(O)C(=CF)CN;CCFGMEXDKBJREB-UHFFFAOYSA-N;145.18;0.74;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1_Nda";;;;;;;0.04;;-4.51;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM414669;MM414669;CCCn1cc(C#N)nn1;MCBDWPCELLPXGL-UHFFFAOYSA-N;136.16;0.56;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNa_SP1";;;;;;;0.04;;-2.54;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM414670;MM414670;C#CC(=C)CC(C)(C)O;AHIUNEPJTZOIEM-UHFFFAOYSA-N;124.18;1.34;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda_C5";;;;;;;1.64;;0.05;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM414671;MM414671;C#CC12CC1CC(=NO)N2;AINUFDMWSPBCIA-UHFFFAOYSA-N;136.15;0.16;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP1_SN0";;;;;;;0.34;;-1.53;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM414672;MM414672;C=CCC1=CNC(=N)C1C;HTOHRGIIKAAWFE-UHFFFAOYSA-N;136.2;1.66;;;;;DOPC;MDCG;27;1;"MARTINI bead: SNd_SN0";;;;;;;1.17;;-4.75;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM414673;MM414673;C=CCC(O)C(=CC)CO;LPKJTJYAENBTTO-UHFFFAOYSA-N;142.2;0.86;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda_Nda";;;;;;;0.87;;-2.07;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM414674;MM414674;COc1cnc(=N)n(N)c1;MCHOLPHGIXQIOS-UHFFFAOYSA-N;140.15;-0.92;;;;;DOPC;MDCG;27;1;"MARTINI bead: SNa_SP2";;;;;;;-0.24;;-5.5;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM414675;MM414675;C=Cc1ccn(CCC)n1;FLMHRWWWIRDTJD-UHFFFAOYSA-N;136.2;1.94;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC5_SN0";;;;;;;1.94;;0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM414676;MM414676;C=COCOC(C=C)=NO;BBDWVWJZVHZISR-UHFFFAOYSA-N;143.14;1.09;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda_Na";;;;;;;0.87;;-1.99;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM414677;MM414677;CC=C(CO)C(O)CC#N;GYGSBYITKJMWHV-UHFFFAOYSA-N;141.17;0.2;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda_P1";;;;;;;0.04;;-2.73;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM414678;MM414678;COc1cnc(=O)n(N)c1;JHLUVKXIASWHJF-UHFFFAOYSA-N;141.13;-1.03;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNa_SP2";;;;;;;-0.24;;-3.24;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM414679;MM414679;C=C1OC=C(CC#N)C1C;BBXNYNZXEOAZLY-UHFFFAOYSA-N;135.17;1.96;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC5_SN0";;;;;;;1.94;;0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM414680;MM414680;C#CC12CC1NC(=NC)N2;ZKRHUTKLNCTLSD-UHFFFAOYSA-N;135.17;-0.69;;;;;DOPC;MDCG;27;1;"MARTINI bead: SP1_SP2";;;;;;;-1.06;;-6.97;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM414681;MM414681;CCCn1ccc(C=O)n1;XNRQWOQUTNBRGZ-UHFFFAOYSA-N;138.17;1.11;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC5_SP1";;;;;;;0.81;;-0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM414682;MM414682;C=NNC(C)=CC(C)=O;QCCDYULWZHCEHN-UHFFFAOYSA-N;126.16;0.68;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_N0";;;;;;;1.17;;-1.18;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM414683;MM414683;C=CCC(C)C(CF)=NN;QSPOIQGTUYRPTD-UHFFFAOYSA-N;144.19;1.48;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4_Nda";;;;;;;2.2;;0.49;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM414684;MM414684;COc1cnc(=N)n(O)c1;JNRNOCRQPMDKHR-UHFFFAOYSA-N;141.13;-0.39;;;;;DOPC;MDCG;27;1;"MARTINI bead: SNa_SP2";;;;;;;-0.24;;-5.04;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM414685;MM414685;CCCn1ccc(C#N)n1;HINNDJNBHMRFGL-UHFFFAOYSA-N;135.17;1.16;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC5_SP1";;;;;;;0.81;;-0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM414686;MM414686;C#CC12CC1NC(=NN)N2;BUIJXIAORNQEQL-UHFFFAOYSA-N;136.16;-1.45;;;;;DOPC;MDCG;27;1;"MARTINI bead: SP2_SP2";;;;;;;-1.34;;-5.97;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM414687;MM414687;Cn1c(CC#N)c[nH]c1=N;RSDULSPYKITOMP-UHFFFAOYSA-N;136.16;-0.1;;;;;DOPC;MDCG;27;1;"MARTINI bead: SP1_SP1";;;;;;;-0.79;;-6.17;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM414688;MM414688;C#CCCCC(C=C)=CC;XPNHIRPUZPKCTJ-UHFFFAOYSA-N;134.22;2.92;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1_C5";;;;;;;3.68;;0.46;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM414689;MM414689;C=CCC(N)C(CC)=NO;SNOJUBYEYJOOPB-UHFFFAOYSA-N;142.2;1.13;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nda_Nd";;;;;;;0.87;;-4.82;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM414690;MM414690;ON=c1[nH]nc(O)o1;OQKOPJWHQNJKFE-UHFFFAOYSA-N;117.06;-1;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP3_SP1";;;;;;;-1.93;;-8.99;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM414691;MM414691;Cn1c(CC#N)c[nH]c1=O;ZDUJLHFXLYHQDD-UHFFFAOYSA-N;137.14;-0.22;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP1_SP2";;;;;;;-1.06;;-3.82;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM414692;MM414692;CCN(C=O)C=NN;UWKKLMFAWWIACV-UHFFFAOYSA-N;115.14;-0.63;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_P1";;;;;;;-0.79;;-3.13;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM414693;MM414693;C#CCCCC(C=O)=CC;SZBMYSXCOMRXMA-UHFFFAOYSA-N;136.19;1.94;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_C5";;;;;;;1.64;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM414694;MM414694;C=Cc1ccn(NCC)n1;BYNXLMTZPPCXIT-UHFFFAOYSA-N;137.19;1.09;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNda_SN0";;;;;;;1.17;;-1.13;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM414695;MM414695;COCC(=O)C(=O)NOC;QGCDGCRLGKVWAJ-UHFFFAOYSA-N;147.13;-1.12;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_P2";;;;;;;-1.06;;-8.51;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM414696;MM414696;CCc1ccc(=N)n(C)n1;YYJFYEJVXHYVMH-UHFFFAOYSA-N;137.19;0.46;;;;;DOPC;MDCG;27;1;"MARTINI bead: SNa_SP2";;;;;;;-0.24;;-4.25;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM414697;MM414697;C#CC12CC1OC(=NC)N2;LVTCZQIZRYJDNI-UHFFFAOYSA-N;136.15;-0.26;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP1_SP2";;;;;;;-1.06;;-3.82;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM414698;MM414698;C#CCCCC(C#N)=CC;UMFJGQNPWXUBKA-UHFFFAOYSA-N;133.19;2.26;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_C5";;;;;;;2.41;;0.64;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM414699;MM414699;C#CCC1=CCC(=C)C1C;LGYMZHCBSITPOJ-UHFFFAOYSA-N;132.21;2.53;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC4_SC4";;;;;;;3.53;;0.53;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM414700;MM414700;C=Cc1ncn(CCC)n1;VIQYQXQADIUGAN-UHFFFAOYSA-N;137.19;1.33;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNa_SNa";;;;;;;0.87;;-2.22;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM414701;MM414701;CN=C(NC)C(C)CC=O;FATQTCZWFNMSKF-UHFFFAOYSA-N;142.2;0.46;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1_C5";;;;;;;0.81;;-5.08;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM414702;MM414702;C#CCCCC(C=O)=CN;QGRVPAAEHWXEBH-UHFFFAOYSA-N;137.18;0.83;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_C5";;;;;;;0.81;;-0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM414703;MM414703;COc1ccc(=N)n(N)n1;MDYGQPGZZZOHDU-UHFFFAOYSA-N;140.15;-0.92;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNa_SP2";;;;;;;-0.24;;-3.24;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM414704;MM414704;CCCn1cnc(C=O)n1;CQKCPQLGLZEXNZ-UHFFFAOYSA-N;139.16;0.5;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNa_SP2";;;;;;;-0.24;;-3.24;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM414705;MM414705;C#CCC1=CCC(=O)C1C;FDASKTSVXCUDGL-UHFFFAOYSA-N;134.18;1.55;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNa_SC4";;;;;;;2.2;;0.34;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM414706;MM414706;CNCC(=O)ON=CN;DHLXEIZFKCBMFB-UHFFFAOYSA-N;131.14;-1.35;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_P2";;;;;;;-1.06;;-3.82;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM414707;MM414707;CN=C(NO)C(C)CC#N;FCWPSCACGGJKGS-UHFFFAOYSA-N;141.17;0.54;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nda_P1";;;;;;;0.04;;-4.32;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM414708;MM414708;C#CCCCC(C#N)=CN;BTURQOFMTJKWKK-UHFFFAOYSA-N;134.18;1.16;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_C5";;;;;;;0.81;;-0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM414709;MM414709;CCCn1cnc(C#N)n1;PPRIGJYSWOLWOL-UHFFFAOYSA-N;136.16;0.56;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNa_SP1";;;;;;;0.04;;-2.54;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM414710;MM414710;CCc1ncc(=N)n(C)n1;YHWQYXMYJOWLKB-UHFFFAOYSA-N;138.17;-0.14;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP1_SP3";;;;;;;-1.93;;-4.72;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM414711;MM414711;C#CCC1=CCC(=C)C1N;NSPRFSBUJMZKAR-UHFFFAOYSA-N;133.19;1.22;;;;;DOPC;MDCG;27;1;"MARTINI bead: SC5_SNd";;;;;;;1.64;;-1.84;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM414712;MM414712;C#CC12CC1OC(=NO)N2;CYDFSNZYZWBEJH-UHFFFAOYSA-N;138.13;-0.5;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP2_SP2";;;;;;;-1.34;;-4.31;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM414713;MM414713;CC=C(OC)C(O)CC=O;FLWYBRLXGUDMQM-UHFFFAOYSA-N;144.17;0.49;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_P2";;;;;;;0.54;;-1.09;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM414714;MM414714;CCC1(O)C=C(C)CC1;VKVVORRBORDQAN-UHFFFAOYSA-N;126.2;1.87;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC5_SC4";;;;;;;2.97;;0.45;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM414715;MM414715;C=CC1=CC(CC=O)C=C1;BBTMBHPFHOKSKF-UHFFFAOYSA-N;134.18;1.87;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC4_SNa";;;;;;;2.2;;0.34;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM414716;MM414716;C#CCCCC(C=O)=CF;CRKYPNJQJBCYMS-UHFFFAOYSA-N;140.16;1.84;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_C5";;;;;;;1.64;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM414717;MM414717;C#CC12CC1CC(=CC)O2;VCLAJOCECHBFRF-UHFFFAOYSA-N;134.18;1.7;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC5_SN0";;;;;;;1.94;;0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM414718;MM414718;C#CC(C)CON=CCF;WGPADCSXMRYKKU-UHFFFAOYSA-N;143.16;1.23;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4_P1";;;;;;;1.37;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM414719;MM414719;CC=C(OC)C(O)CC#N;JMNSGFAFEWOILM-UHFFFAOYSA-N;141.17;0.81;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_P2";;;;;;;0.54;;-1.09;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM414720;MM414720;N#CCC1C=CC(C=O)=C1;HNJYGZUKSYWZBT-UHFFFAOYSA-N;133.15;1.21;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNa_SN0";;;;;;;1.17;;-1.18;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM414721;MM414721;Cn1nc(CF)ncc1=N;CMYNJZJPVOKVBN-UHFFFAOYSA-N;142.14;-0.24;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP1_SP3";;;;;;;-1.93;;-4.72;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM414722;MM414722;C#CCCCC(C#N)=CF;WMQIMVMUWQHZTN-UHFFFAOYSA-N;137.16;2.17;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_C5";;;;;;;1.64;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM414723;MM414723;C#CC12CC1CC(=CF)O2;JEWSFPPKZXRNHK-UHFFFAOYSA-N;138.14;1.61;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNa_SN0";;;;;;;1.17;;-1.18;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM414724;MM414724;C#CCC1=CNC(=N)C1C;TTWFIJDDXOECNS-UHFFFAOYSA-N;134.18;1.11;;;;;DOPC;MDCG;27;1;"MARTINI bead: SNd_SN0";;;;;;;1.17;;-5.94;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM414725;MM414725;N#CC1=CC(CC=O)C=C1;RJEPELTVELEKIS-UHFFFAOYSA-N;133.15;1.21;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNa_SN0";;;;;;;1.17;;-1.18;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM414726;MM414726;COC(=CF)C(O)CC#N;ZMSWIJYDUGFXAO-UHFFFAOYSA-N;145.13;0.72;;;;;DOPC;MDCG;27;0;"MARTINI bead: N0_P2";;;;;;;0.06;;-2.21;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM414727;MM414727;CCc1ncc(=N)n(N)n1;KNPHIENLZBHMQS-UHFFFAOYSA-N;139.16;-0.97;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP1_SP3";;;;;;;-1.93;;-4.72;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM414728;MM414728;C#CCOC(=O)C=NN;NZIWRMPTDINRBH-UHFFFAOYSA-N;126.12;-0.89;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_Na";;;;;;;0.04;;-2.54;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM414729;MM414729;C#CCCCC(C=C)=NN;JCVIVTIZTQMFPG-UHFFFAOYSA-N;136.2;1.29;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_C5";;;;;;;2.41;;0.64;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM414730;MM414730;C#CCC1=CNC(=O)C1C;BZBRNYSXAPGPLK-UHFFFAOYSA-N;135.17;0.66;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP1_SN0";;;;;;;0.34;;-1.53;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM414731;MM414731;COC(=NO)C(C)CC#N;KDNRLROXCWPLLR-UHFFFAOYSA-N;142.16;0.97;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_N0";;;;;;;0.06;;-2.21;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM414732;MM414732;N=CNC1C=CC(C=O)=C1;NJZFZDAYONOMDZ-UHFFFAOYSA-N;136.15;0.25;;;;;DOPC;MDCG;27;1;"MARTINI bead: SNd_SNa";;;;;;;0.87;;-8.1;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM414733;MM414733;C=C(C)C(C)C1(O)CC1;VJMAHQUUEYICHT-UHFFFAOYSA-N;126.2;1.72;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1_SP1";;;;;;;2.08;;0.48;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM414734;MM414734;C#CC12CC1CC(=NO)O2;UGPSBGKVYRQMCY-UHFFFAOYSA-N;137.14;0.59;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP1_SN0";;;;;;;0.34;;-1.53;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM414735;MM414735;N=CNC(=O)C(F)C(=O)O;ISOOBIXZRLTVRK-UHFFFAOYSA-N;148.09;-0.87;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda_P3";;;;;;;-1.1;;-8.27;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM414736;MM414736;O=c1ncc(O)no1;NZOYICHVKGVFRS-UHFFFAOYSA-N;114.06;-0.86;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP3_SP3";;;;;;;-3.07;;-10.19;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM414737;MM414737;C#CCC1=CNC(=N)C1N;PSNBEBYIBGYZQW-UHFFFAOYSA-N;135.17;-0.2;;;;;DOPC;MDCG;27;1;"MARTINI bead: SP3_SN0";;;;;;;-0.8;;-5.32;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM414738;MM414738;N#CC1=CC(NC=N)C=C1;RQCXUZGVEFDSGB-UHFFFAOYSA-N;133.15;0.57;;;;;DOPC;MDCG;27;1;"MARTINI bead: SNd_SN0";;;;;;;1.17;;-7.05;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM414739;MM414739;CC=CCC(O)C(C)C;ZHKKLTLFJZBBMM-UHFFFAOYSA-N;128.22;1.97;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_C3";;;;;;;3.34;;0.48;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM414740;MM414740;C#CCNCC(C=C)=CC;CGAXNJXUIXAASR-UHFFFAOYSA-N;135.21;1.34;;;;;DOPC;MDCG;27;1;"MARTINI bead: C1_P2";;;;;;;1.8;;-0.17;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM414741;MM414741;CC=COC(=O)C=NN;UQFBCGHFSLSIFB-UHFFFAOYSA-N;128.13;0.01;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_P1";;;;;;;0.81;;-0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM414742;MM414742;CC=C(CC)C(C)NC=N;ZAAIQXPBQXBYNP-UHFFFAOYSA-N;140.23;1.93;;;;;DOPC;MDCG;27;1;"MARTINI bead: C1_P2";;;;;;;1.8;;-2.59;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM414743;MM414743;C#CCC1=COC(=O)C1C;GPCPGUBWVJZBMN-UHFFFAOYSA-N;136.15;1.09;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNa_SN0";;;;;;;1.17;;-1.18;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM414744;MM414744;C=COC1C=CC(C=O)=C1;GVRQGFAFVLGDRI-UHFFFAOYSA-N;136.15;1.21;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC5_SNa";;;;;;;1.64;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM414745;MM414745;COc1ncc(=N)n(C)n1;JDJJXFNQVCPMFE-UHFFFAOYSA-N;140.15;-0.7;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP2_SP3";;;;;;;-2.2;;-5.19;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM414746;MM414746;C#CCNCC(C#N)=CC;AYSVXUGFHVUZMF-UHFFFAOYSA-N;134.18;0.68;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_P2";;;;;;;0.54;;-1.09;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM414747;MM414747;C#CC12CC1NC(=NO)O2;FBDIMKMYWCSAHK-UHFFFAOYSA-N;138.13;-0.5;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP2_SP2";;;;;;;-1.34;;-4.31;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM414748;MM414748;CC=C(CN)C(C)NC=N;OTQBMMLCCHIJJW-UHFFFAOYSA-N;141.22;0.48;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_P2";;;;;;;-0.24;;-6.86;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM414749;MM414749;C=COC1C=CC(C#N)=C1;OHPKMSAAYZJDQW-UHFFFAOYSA-N;133.15;1.53;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC5_SN0";;;;;;;1.94;;0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM414750;MM414750;C#CCC1=COC(=C)C1N;YOOZSRRECWQAMX-UHFFFAOYSA-N;135.17;0.76;;;;;DOPC;MDCG;27;1;"MARTINI bead: SP1_SN0";;;;;;;0.34;;-2.63;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM414751;MM414751;COc1ncc(=N)n(N)n1;CWGJEYAZMIKVAD-UHFFFAOYSA-N;141.13;-1.52;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP2_SP3";;;;;;;-2.2;;-5.19;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM414752;MM414752;NC=C(OCCO)C(=O)O;CNFJUSYHODFBGZ-UHFFFAOYSA-N;147.13;-1.12;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_P1";;;;;;;-1.06;;-8.44;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM414753;MM414753;C#CC12CC1OC(=NO)O2;FZLJZWQYMIRFDV-UHFFFAOYSA-N;139.11;-0.08;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP2_SP1";;;;;;;-1.06;;-3.82;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM414754;MM414754;CC=C(CO)C(C)NC=O;KMYNYTDMTBYOJC-UHFFFAOYSA-N;143.19;0.06;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda_P1";;;;;;;0.04;;-2.73;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM414755;MM414755;C=CCn1ccc(C=C)c1;CZECKCBENRFFNX-UHFFFAOYSA-N;133.19;2.32;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC5_SN0";;;;;;;1.94;;0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM414756;MM414756;C=C(CF)CON=CCF;ZDINRKFGBITBPG-UHFFFAOYSA-N;149.14;1.48;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_C4";;;;;;;1.37;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM414757;MM414757;CCc1cnc(=O)n(C)n1;MUQNGPCRVWVTRG-UHFFFAOYSA-N;139.16;-0.26;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP1_SP2";;;;;;;-1.06;;-3.82;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM414758;MM414758;C#CCOCC(C=C)=CC;LEKKEAIDTYZMPF-UHFFFAOYSA-N;136.19;1.77;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1_Na";;;;;;;2.91;;0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM414759;MM414759;C#CC12CC(=CC)CC1N2;YSZBVKPBPRXOLN-UHFFFAOYSA-N;133.19;1.07;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC1_SNd";;;;;;;2.91;;0.64;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM414760;MM414760;CC(C)NN=COC=CF;NCSYENUNTJMIMG-UHFFFAOYSA-N;146.17;1.39;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nd_Na";;;;;;;0.87;;-1.88;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM414761;MM414761;C=Cc1ccn(CC#N)c1;FHNIKQZZWBTFGY-UHFFFAOYSA-N;132.17;1.65;;;;;DOPC;MDCG;27;0;"MARTINI bead: SN0_SN0";;;;;;;1.47;;-0.05;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM414762;MM414762;C#CCC1=NNC(=O)C1C;GUPLYFIGLISGSW-UHFFFAOYSA-N;136.15;0.13;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNda_SP1";;;;;;;0.04;;-2.73;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM414763;MM414763;C#CCOCC(C=C)=CF;IXXRIKHOCABZJO-UHFFFAOYSA-N;140.16;1.68;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4_Na";;;;;;;2.2;;0.34;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM414764;MM414764;Cn1nc(CO)cnc1=O;AWRVKAIVLHGPOZ-UHFFFAOYSA-N;141.13;-1.33;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP2_SP2";;;;;;;-1.34;;-4.31;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM414765;MM414765;CC(NC=N)C(=CF)CF;HEUGIDMHOSDCHP-UHFFFAOYSA-N;148.16;1.39;;;;;DOPC;MDCG;27;1;"MARTINI bead: P2_C5";;;;;;;0.54;;-4.71;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM414766;MM414766;C=CCn1ccc(C=O)c1;ANCRTEUGVAHUOU-UHFFFAOYSA-N;135.17;1.49;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC5_SNa";;;;;;;1.64;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM414767;MM414767;C#CC12CC(=CF)CC1N2;FOKYDLSAPUUMRA-UHFFFAOYSA-N;137.16;0.98;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC4_SNd";;;;;;;2.2;;0.32;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM414768;MM414768;C#CCc1c[nH]c(=N)n1C;IUQUTFSGCVKNSB-UHFFFAOYSA-N;135.17;0.01;;;;;DOPC;MDCG;27;1;"MARTINI bead: SN0_SP1";;;;;;;0.34;;-5.71;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM414769;MM414769;Cn1nc(CF)cnc1=O;FOBWUGNORLEUHV-UHFFFAOYSA-N;143.12;-0.36;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP1_SP2";;;;;;;-1.06;;-3.82;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM414770;MM414770;C#CCOCC(C=O)=CC;WJJYQCMYGZDIMY-UHFFFAOYSA-N;138.17;0.78;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_Na";;;;;;;0.87;;-2.22;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM414771;MM414771;C=CCn1ccc(C#N)c1;GAJOZBBWINCWID-UHFFFAOYSA-N;132.17;1.55;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC5_SN0";;;;;;;1.94;;0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM414772;MM414772;C=NNC(C)C(=CC)CC;QOMWHBWENXSADB-UHFFFAOYSA-N;140.23;1.94;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1_P1";;;;;;;2.08;;0.48;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM414773;MM414773;C#CC12CC(=NN)CC1N2;RBOUJQLESOSSGD-UHFFFAOYSA-N;135.17;-0.56;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNd_SNd";;;;;;;0.87;;-2.11;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM414774;MM414774;C#CCC1=CCC(C)C1=C;PLUCROABHDLXAG-UHFFFAOYSA-N;132.21;2.53;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC4_SC4";;;;;;;3.53;;0.53;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM414775;MM414775;C#CCOCC(C#N)=CC;YPXPQAIIFJGJBO-UHFFFAOYSA-N;135.17;1.11;;;;;DOPC;MDCG;27;0;"MARTINI bead: N0_Na";;;;;;;1.17;;-1.18;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM414776;MM414776;CCc1cnc(=O)n(N)n1;MXJPCZNOGJYFPT-UHFFFAOYSA-N;140.15;-1.09;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP1_SP3";;;;;;;-1.93;;-4.72;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM414777;MM414777;N#CCn1ccc(C=O)c1;IHLMSKZGHVPXSQ-UHFFFAOYSA-N;134.14;0.82;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNa_SN0";;;;;;;1.17;;-1.18;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM414778;MM414778;CC=NNCC(C)C#N;BVFAFAVICUHYQM-UHFFFAOYSA-N;125.18;0.74;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nd_N0";;;;;;;1.17;;-1.04;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM414779;MM414779;C=NNC(C)C(=CC)CN;BBDUNSSLCXXIID-UHFFFAOYSA-N;141.22;0.49;;;;;DOPC;MDCG;27;1;"MARTINI bead: C5_P1";;;;;;;0.81;;-2.38;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM414780;MM414780;C#CCC(C)C(O)CC;VGBDYBGOZNEKJZ-UHFFFAOYSA-N;126.2;1.42;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda_C3";;;;;;;2.57;;0.44;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM414781;MM414781;C#CCOCC(C=O)=CN;QJWQYADDKIXVBG-UHFFFAOYSA-N;139.15;-0.32;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_Na";;;;;;;-0.24;;-3.24;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM414782;MM414782;C#CCC1=CCC(N)C1=C;KLMNJNAPZZWXSN-UHFFFAOYSA-N;133.19;1.22;;;;;DOPC;MDCG;27;1;"MARTINI bead: SNd_SC4";;;;;;;2.2;;-1.85;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM414783;MM414783;N#CCn1ccc(C#N)c1;ZUYYRDCBQQJQRF-UHFFFAOYSA-N;131.14;0.88;;;;;DOPC;MDCG;27;0;"MARTINI bead: SN0_SN0";;;;;;;1.47;;-0.05;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM414784;MM414784;CCC(=NN)C(C)NC=N;PRTFMMKLVIKFIF-UHFFFAOYSA-N;142.21;0.3;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_P2";;;;;;;-0.24;;-6.48;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM414785;MM414785;C#CC12CC(=CC)CC1O2;DCJLJOBUDNTWSW-UHFFFAOYSA-N;134.18;1.5;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC1_SNa";;;;;;;2.91;;0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM414786;MM414786;C=CC(=C)CON=CCF;NFUFYIQSFWZSIS-UHFFFAOYSA-N;143.16;1.7;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_C3";;;;;;;1.74;;0.29;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM414787;MM414787;Nn1nc(CF)cnc1=O;KZNKXYGFLHZJCY-UHFFFAOYSA-N;144.11;-1.18;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP1_SP3";;;;;;;-1.93;;-4.72;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM414788;MM414788;C#CCOCC(C#N)=CF;IKBSNACHLKEJOT-UHFFFAOYSA-N;139.13;1.01;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_Na";;;;;;;0.87;;-2.22;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM414789;MM414789;C=Cc1ccn(NC=N)c1;MYEISTLDNHAARU-UHFFFAOYSA-N;135.17;1.28;;;;;DOPC;MDCG;27;1;"MARTINI bead: SN0_SP1";;;;;;;0.34;;-3.32;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM414790;MM414790;C#CC12CC(=NN)CC1O2;FTMZSIBTOKOGJO-UHFFFAOYSA-N;136.15;-0.13;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNd_SNa";;;;;;;0.87;;-1.88;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM414791;MM414791;CCC(=NO)C(C)NC=N;QGNLHRKFYCVSST-UHFFFAOYSA-N;143.19;0.81;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nda_P2";;;;;;;-0.24;;-6.95;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM414792;MM414792;C=NN(C)CC#CC(=O)O;CEEVUMAJOOMABX-UHFFFAOYSA-N;140.14;-0.38;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda_P2";;;;;;;-0.24;;-8.09;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM414793;MM414793;C#CCC1=CCC(F)C1=C;KPHFEAAYRKEUMK-UHFFFAOYSA-N;136.17;2.23;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC5_SC4";;;;;;;2.97;;0.45;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM414794;MM414794;C#CCOCC(C=C)=NN;RLZHQEGXLQZQQU-UHFFFAOYSA-N;138.17;0.14;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nd_Na";;;;;;;0.87;;-1.88;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM414795;MM414795;N=CNn1ccc(C=O)c1;KREUVCRURMQAMI-UHFFFAOYSA-N;137.14;0.45;;;;;DOPC;MDCG;27;1;"MARTINI bead: SP1_SNa";;;;;;;0.04;;-4.18;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM414796;MM414796;C#CC12CC(=NO)CC1O2;JGFVTZREMMEQIB-UHFFFAOYSA-N;137.14;0.38;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNda_SNa";;;;;;;0.87;;-1.99;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM414797;MM414797;CC(NC=N)C(CO)=NN;IFQBIFBNMXQFSX-UHFFFAOYSA-N;144.18;-1.12;;;;;DOPC;MDCG;27;1;"MARTINI bead: P2_P2";;;;;;;-1.34;;-7.57;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM414798;MM414798;CC(=O)CC(N)=CC(=O)O;UGSDTOBHBJOLCM-UHFFFAOYSA-N;143.14;-0.11;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_P1";;;;;;;-0.79;;-8.13;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM414799;MM414799;NC(C=CC(=O)O)=NO;POWXUTBSONVVKI-UHFFFAOYSA-N;130.1;-0.63;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_P1";;;;;;;-1.06;;-8.44;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM414800;MM414800;C#CCc1c[nH]c(C)c1O;CLDFBQXSBHWQCY-UHFFFAOYSA-N;135.17;1.2;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNd_SNda";;;;;;;0.87;;-1.92;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM414801;MM414801;C#CC12CC(=CC)CN1C2;ZOJCXAPKKRUKDB-UHFFFAOYSA-N;133.19;1.02;;;;;DOPC;MDCG;27;0;"MARTINI bead: SN0_SNd";;;;;;;1.17;;-1.04;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM414802;MM414802;CC#CCOC(C)=NNC;IROUQMGUNTWDAZ-UHFFFAOYSA-N;140.19;0.58;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_C4";;;;;;;1.09;;-0.38;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM414803;MM414803;N#Cc1ccn(NC=N)c1;ZKKUCAYCXIULGP-UHFFFAOYSA-N;134.14;0.51;;;;;DOPC;MDCG;27;1;"MARTINI bead: SP1_SN0";;;;;;;0.34;;-3.24;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM414804;MM414804;NC(C=O)=C(C=O)C(=O)O;LWXGZYLANCMMBC-UHFFFAOYSA-N;143.1;-1.32;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_P1";;;;;;;-0.79;;-8.14;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM414805;MM414805;C#CCC1=COC(C)C1=C;NEMNKGPZRVLOPZ-UHFFFAOYSA-N;134.18;1.87;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNa_SN0";;;;;;;1.17;;-1.18;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM414806;MM414806;C#CCCNC(C=C)=NN;BMGGUVHOYUIXSV-UHFFFAOYSA-N;137.19;0.06;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1_C5";;;;;;;0.81;;-2.28;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM414807;MM414807;C#CC12CC(=NN)CN1C2;LIGCLPUBFSISFW-UHFFFAOYSA-N;135.17;-0.61;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP2_SNd";;;;;;;-0.24;;-3.16;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM414808;MM414808;C=COn1ccc(C=C)c1;NZLITEPZXUMFPD-UHFFFAOYSA-N;135.17;1.7;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNa_SN0";;;;;;;1.17;;-1.18;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM414809;MM414809;CN=C(NC)C(C)NC=O;UJQGOQDXFUQZPQ-UHFFFAOYSA-N;143.19;-0.63;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1_P1";;;;;;;-0.79;;-6.42;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM414810;MM414810;COc1cnc(=O)n(C)n1;MAPOQDNLKQPXRX-UHFFFAOYSA-N;141.13;-0.82;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP2_SP2";;;;;;;-1.34;;-4.31;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM414811;MM414811;C#CCC1=NNC(C)C1=C;YXTXUCNALKJNJU-UHFFFAOYSA-N;134.18;0.91;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP1_SN0";;;;;;;0.34;;-1.53;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM414812;MM414812;C#CCCNC(C#N)=NC;IIJYBQGMCYKDPJ-UHFFFAOYSA-N;135.17;0.15;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_C5";;;;;;;0.54;;-1.09;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM414813;MM414813;CC=C(OC)C(C)NC=N;AWLIQCMKCINMGE-UHFFFAOYSA-N;142.2;1.12;;;;;DOPC;MDCG;27;1;"MARTINI bead: C5_P2";;;;;;;0.54;;-4.24;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM414814;MM414814;C=COn1ccc(C=O)c1;JSHIFLZBPSTTNI-UHFFFAOYSA-N;137.14;0.87;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNa_SNa";;;;;;;0.87;;-2.22;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM414815;MM414815;C#CC12CC(=NO)CN1C2;SLYGQLHYFQBTJY-UHFFFAOYSA-N;136.15;-0.09;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP3_SNd";;;;;;;-1.1;;-3.93;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM414816;MM414816;COc1cnc(=N)n(N)n1;KOAXGJQSBLZUGB-UHFFFAOYSA-N;141.13;-1.52;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP2_SP3";;;;;;;-2.2;;-5.19;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM414817;MM414817;C#CCCNC(C=O)=NO;METMUOVZZHWMEA-UHFFFAOYSA-N;140.14;-0.41;;;;;DOPC;MDCG;27;0;"MARTINI bead: P3_C5";;;;;;;-0.33;;-2.01;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM414818;MM414818;C#CCC1=CCN(C)C1=N;REXRYDDVRWIMTB-UHFFFAOYSA-N;134.18;0.86;;;;;DOPC;MDCG;27;1;"MARTINI bead: SP1_SP1";;;;;;;-0.79;;-7.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM414819;MM414819;C=COn1ccc(C#N)c1;DGJVCMPXEIXDSZ-UHFFFAOYSA-N;134.14;0.93;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNa_SN0";;;;;;;1.17;;-1.18;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM414820;MM414820;C=NNC(=N)C(=O)C=CN;FTUQGVQCSSVAIY-UHFFFAOYSA-N;140.15;-0.79;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_P1";;;;;;;-1.06;;-3.82;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM414821;MM414821;C#CC12CC(=NC)NN1C2;OBESNYPFJOZFIR-UHFFFAOYSA-N;135.17;-0.39;;;;;DOPC;MDCG;27;1;"MARTINI bead: SP2_SP3";;;;;;;-2.2;;-7.11;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM414822;MM414822;CCCC1(C)CC1(C)O;YKVJORVKKMIDAS-UHFFFAOYSA-N;128.22;1.95;;;;;DOPC;MDCG;27;0;"MARTINI bead: C3_SNda";;;;;;;2.57;;0.44;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM414823;MM414823;COc1cnc(=O)n(N)n1;ZMTNMYBTJNKMDE-UHFFFAOYSA-N;142.12;-1.64;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP2_SP3";;;;;;;-2.2;;-5.19;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM414824;MM414824;C=C1C(=O)NC=C1CCC;KPDPYWGGDUYJGY-UHFFFAOYSA-N;137.18;1.36;;;;;DOPC;MDCG;27;0;"MARTINI bead: SN0_SP1";;;;;;;0.34;;-1.53;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM414825;MM414825;C=CCn1cnc(C=C)c1;QGAQFOJUQYEWAE-UHFFFAOYSA-N;134.18;1.71;;;;;DOPC;MDCG;27;0;"MARTINI bead: SN0_SNa";;;;;;;1.17;;-1.17;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM414826;MM414826;COC(=CF)C(C)NC=N;YKSZJOHTDSVDND-UHFFFAOYSA-N;146.17;1.03;;;;;DOPC;MDCG;27;1;"MARTINI bead: C4_P3";;;;;;;0.23;;-4.08;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM414827;MM414827;CCC1=CC2CC2(CC)C1;KJDVPNLLUQPKRH-UHFFFAOYSA-N;136.24;3.14;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC2_SC3";;;;;;;4.53;;0.32;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM414828;MM414828;C#CCONC(C=C)=NC;RNKVXQOLEVGSEX-UHFFFAOYSA-N;138.17;0.36;;;;;DOPC;MDCG;27;1;"MARTINI bead: N0_Nda";;;;;;;1.17;;-2.62;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM414829;MM414829;CC=CC(C)C(O)CC;DINWILSXOCSKME-UHFFFAOYSA-N;128.22;1.97;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda_C1";;;;;;;2.91;;0.57;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM414830;MM414830;C=CCC1=CNC(=N)C1=C;AZTSEPCBLFDGMF-UHFFFAOYSA-N;134.18;1.58;;;;;DOPC;MDCG;27;1;"MARTINI bead: SN0_SNd";;;;;;;1.17;;-4.25;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM414831;MM414831;CC(=NN)ON(C=N)C=N;WGMORROUZKYFBN-UHFFFAOYSA-N;143.15;-0.27;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nd_P3";;;;;;;-1.1;;-3.93;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM414832;MM414832;C=COC(C)C(=CC)CC;GPMAUUPOECHAHA-UHFFFAOYSA-N;140.23;2.89;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1_C5";;;;;;;3.68;;0.46;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM414833;MM414833;CCC12CC(CN)=CC1C2;GDKZQKMVTSYRLM-UHFFFAOYSA-N;137.23;1.69;;;;;DOPC;MDCG;27;1;"MARTINI bead: SC3_SNd";;;;;;;2.57;;-0.97;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM414834;MM414834;C#CCCOC(C=C)=CC;JXHPOQXGISLFKH-UHFFFAOYSA-N;136.19;2.12;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_C5";;;;;;;2.41;;0.64;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM414835;MM414835;O=CC(=O)C(=O)C(F)C=O;DNFNMOIKVVSUAB-UHFFFAOYSA-N;146.07;-1.14;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_Na";;;;;;;0.87;;-7.25;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM414836;MM414836;C#CCC1=CCC(=C)C1=C;KIUYAXDJFJSOQP-UHFFFAOYSA-N;130.19;2.45;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC5_SC4";;;;;;;2.97;;0.45;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM414837;MM414837;C=CCn1cnc(C=O)c1;JTHDSQTVTRRLSJ-UHFFFAOYSA-N;136.15;0.88;;;;;DOPC;MDCG;27;0;"MARTINI bead: SN0_SP1";;;;;;;0.34;;-1.53;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM414838;MM414838;CCC12CC(CO)=CC1C2;IAIDLLGGGZVEMX-UHFFFAOYSA-N;138.21;1.73;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC3_SNda";;;;;;;2.57;;0.44;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM414839;MM414839;CC=C(CC)C(C)OC=O;LNDPCGDZUUIWCW-UHFFFAOYSA-N;142.2;1.9;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1_Na";;;;;;;2.91;;0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM414840;MM414840;C#CCCOC(C=C)=CF;UVZONWZWVYUQQP-UHFFFAOYSA-N;140.16;2.02;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_C5";;;;;;;1.64;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM414841;MM414841;Cn1nc(CF)nnc1=N;HURCFBSDVGKICS-UHFFFAOYSA-N;143.13;-0.84;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP2_SP3";;;;;;;-2.2;;-5.19;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM414842;MM414842;C#CCC1=CCC(=O)C1=C;DNYUHALGWGZAHU-UHFFFAOYSA-N;132.16;1.47;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNa_SC4";;;;;;;2.2;;0.34;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM414843;MM414843;C=CCn1cnc(C#N)c1;MOSJTDGGLNKZGO-UHFFFAOYSA-N;133.15;0.94;;;;;DOPC;MDCG;27;0;"MARTINI bead: SN0_SNa";;;;;;;1.17;;-1.18;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM414844;MM414844;CC=C(CN)C(C)OC=O;YDGJMLUPTOFWLU-UHFFFAOYSA-N;143.19;0.45;;;;;DOPC;MDCG;27;1;"MARTINI bead: C5_P1";;;;;;;0.81;;-2.65;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM414845;MM414845;CCC12CC(CF)=CC1C2;XGIYDYQFLIZPMY-UHFFFAOYSA-N;140.2;2.7;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC3_SC5";;;;;;;3.34;;0.48;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM414846;MM414846;C#CCCOC(C#N)=CC;KKRUVOIVYVSHTB-UHFFFAOYSA-N;135.17;1.45;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_C5";;;;;;;1.64;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM414847;MM414847;CCc1nnc(=O)n(C)n1;JDJOVOXJIICFMF-UHFFFAOYSA-N;140.15;-0.87;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP2_SP3";;;;;;;-2.2;;-5.19;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM414848;MM414848;C#CCC1=CCC(=C)C1=O;OVNVKQFTJVNSNR-UHFFFAOYSA-N;132.16;1.47;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC5_SNa";;;;;;;1.64;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM414849;MM414849;CC(=NN)ON(C=N)C=O;ZPLYZODGVHLQHZ-UHFFFAOYSA-N;144.13;-0.72;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nd_P3";;;;;;;-1.1;;-3.93;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM414850;MM414850;C=COC(C)C(=CC)CF;FHIFGSXLUBGPFI-UHFFFAOYSA-N;144.19;2.45;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4_C5";;;;;;;2.97;;0.45;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM414851;MM414851;C#CCCOC(C#N)=CN;VMGZCUJANYJLES-UHFFFAOYSA-N;136.15;0.35;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_N0";;;;;;;0.34;;-1.53;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM414852;MM414852;CCC1=CC2CC2(CN)C1;ZTPONFINLZXGQG-UHFFFAOYSA-N;137.23;1.69;;;;;DOPC;MDCG;27;1;"MARTINI bead: SC2_SNd";;;;;;;2.83;;-0.44;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM414853;MM414853;Cn1nc(CO)nnc1=O;LKAWGPJRLAWKFS-UHFFFAOYSA-N;142.12;-1.94;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP2_SP3";;;;;;;-2.2;;-5.19;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM414854;MM414854;C#CCC1=CNC(=N)C1=C;ANTHJLRDPCHTIV-UHFFFAOYSA-N;132.17;1.03;;;;;DOPC;MDCG;27;1;"MARTINI bead: SNd_SN0";;;;;;;1.17;;-4.13;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM414855;MM414855;N#CCn1cnc(C#N)c1;ZLKLBLCLEFJGPJ-UHFFFAOYSA-N;132.13;0.28;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP1_SNa";;;;;;;0.04;;-2.54;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM414856;MM414856;CC(OC=O)C(=CF)CF;YZPGXSODEPMBFN-UHFFFAOYSA-N;150.12;1.37;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_C5";;;;;;;1.64;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM414857;MM414857;C#CCCOC(C#N)=CF;ZDXMMHWBISUSIO-UHFFFAOYSA-N;139.13;1.36;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_C5";;;;;;;1.64;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM414858;MM414858;NCC1=CC2CC2(CN)C1;UPNJSQJHNKSFRF-UHFFFAOYSA-N;138.21;0.24;;;;;DOPC;MDCG;27;1;"MARTINI bead: SNd_SNd";;;;;;;0.87;;-4.79;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM414859;MM414859;Cn1nc(CF)nnc1=O;RMPWHVGYURAXDQ-UHFFFAOYSA-N;144.11;-0.96;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP2_SP3";;;;;;;-2.2;;-5.19;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM414860;MM414860;C#CCC1=CNC(=O)C1=C;QDFXSDJOLDBGKS-UHFFFAOYSA-N;133.15;0.58;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP1_SN0";;;;;;;0.34;;-1.53;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM414861;MM414861;N=CNn1cnc(C=O)c1;PPNKBFBBWYXYMY-UHFFFAOYSA-N;138.13;-0.15;;;;;DOPC;MDCG;27;1;"MARTINI bead: SP2_SP1";;;;;;;-1.06;;-5.29;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM414862;MM414862;C=C1CC(=C)C2(O)C(C)C12;WLNRXRMCICQMJV-UHFFFAOYSA-N;136.19;1.5;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC4_SNda";;;;;;;2.2;;0.49;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM414863;MM414863;C#CC(=CC)CCCCC;OGWMJJSWFYKCSA-UHFFFAOYSA-N;136.24;3.15;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1_C4";;;;;;;4.24;;0.42;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM414864;MM414864;NCC12CC(CO)=CC1C2;SYTUVMHZHLCBLE-UHFFFAOYSA-N;139.2;0.27;;;;;DOPC;MDCG;27;1;"MARTINI bead: SNd_SNda";;;;;;;0.87;;-4.39;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM414865;MM414865;CCc1nnc(=N)n(N)n1;QXLKZVWKDANOIE-UHFFFAOYSA-N;140.15;-1.57;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP2_SP3";;;;;;;-2.2;;-5.19;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM414866;MM414866;N#Cc1cn(NC=N)cn1;CINNIQGEOMQWQN-UHFFFAOYSA-N;135.13;-0.09;;;;;DOPC;MDCG;27;1;"MARTINI bead: SP2_SNa";;;;;;;-0.24;;-4.75;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM414867;MM414867;C#CCC1=COC(=O)C1=C;LRTJHQKCDFRPMC-UHFFFAOYSA-N;134.13;1.01;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNa_SN0";;;;;;;1.17;;-1.18;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM414868;MM414868;CCC(=NN)C(C)OC=O;ZRFOOJAJDYURGH-UHFFFAOYSA-N;144.17;0.27;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nd_Na";;;;;;;0.87;;-1.88;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM414869;MM414869;C#CC(=CC)CCCCN;MIEORKLOFREWOW-UHFFFAOYSA-N;137.23;1.69;;;;;DOPC;MDCG;27;1;"MARTINI bead: C4_Nd";;;;;;;2.2;;-2.22;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM414870;MM414870;NCC12CC(CF)=CC1C2;FEGKVGZTACPZFD-UHFFFAOYSA-N;141.19;1.25;;;;;DOPC;MDCG;27;1;"MARTINI bead: SNd_SC5";;;;;;;1.64;;-2.37;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM414871;MM414871;NN=C1C=C(N)C(=O)O1;JMUQGHRJAZIJMA-UHFFFAOYSA-N;127.1;-1.34;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNd_SP1";;;;;;;0.04;;-2.63;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM414872;MM414872;C=COn1cnc(C=C)c1;FXBSIUJRSVEWIY-UHFFFAOYSA-N;136.15;1.1;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNa_SNa";;;;;;;0.87;;-2.22;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM414873;MM414873;CC1CC1C1C(C)C1(C)O;NUSMFTKBVCNPOQ-UHFFFAOYSA-N;140.23;1.66;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC5_SNda";;;;;;;1.64;;0.05;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM414874;MM414874;CNN(C)C=NN=CCF;RYIUJWNRYVNHLQ-UHFFFAOYSA-N;146.17;0.04;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_Na";;;;;;;-0.24;;-3.24;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM414875;MM414875;COC1=NNC(C)(C)C1;HICXXPXDFUNSOJ-UHFFFAOYSA-N;128.18;0.72;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP1_SNd";;;;;;;0.04;;-2.63;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM414876;MM414876;COC(=O)N(C)C=NN;LLITYZNBWQURQY-UHFFFAOYSA-N;131.14;-0.41;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_P1";;;;;;;-1.06;;-3.82;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM414877;MM414877;CCc1nnc(=O)n(N)n1;LGPFKDKHTROJIW-UHFFFAOYSA-N;141.13;-1.69;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP2_SP4";;;;;;;-2.29;;-5.95;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM414878;MM414878;C=COn1cnc(C#N)c1;IXRQEQBYHWAEFU-UHFFFAOYSA-N;135.13;0.33;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNa_SNa";;;;;;;0.87;;-2.22;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM414879;MM414879;CNN=CC(F)(F)C=NO;VVQRNPOEOXMMJS-UHFFFAOYSA-N;151.12;0.29;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nd_P1";;;;;;;0.04;;-7.43;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM414880;MM414880;C#CCC1=NNC(=O)C1=C;ZTKGOVXKHXRVMF-UHFFFAOYSA-N;134.14;0.05;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNda_SP1";;;;;;;0.04;;-2.73;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM414881;MM414881;C#CC(=CC)CCCCF;MSHFEJJWVPTNCB-UHFFFAOYSA-N;140.2;2.71;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4_C4";;;;;;;3.53;;0.53;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM414882;MM414882;NCC1=CC2CC2(CO)C1;SDNMNDRNJIQDOP-UHFFFAOYSA-N;139.2;0.27;;;;;DOPC;MDCG;27;1;"MARTINI bead: SNd_SNda";;;;;;;0.87;;-4.16;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM414883;MM414883;Nn1nc(CO)nnc1=O;DNAUXMSAFYTIKR-UHFFFAOYSA-N;143.11;-2.76;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP2_SP4";;;;;;;-2.29;;-5.95;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM414884;MM414884;C=NOC(C)C(CC)=NN;FIIRXJYAHAPOFV-UHFFFAOYSA-N;143.19;0.73;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nd_Na";;;;;;;0.87;;-1.88;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM414885;MM414885;C=CCn1cc(C=C)cn1;OTKDIPCGFHHWIV-UHFFFAOYSA-N;134.18;1.71;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNa_SN0";;;;;;;1.17;;-1.18;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM414886;MM414886;C=CN(N)C=NN=CCF;VLYJSKLRWDRIIQ-UHFFFAOYSA-N;144.15;0.29;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_C5";;;;;;;0.54;;-1.09;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM414887;MM414887;C#CC(=CF)CCCCC;WTSLOMXNTQZFTF-UHFFFAOYSA-N;140.2;3.05;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1_C5";;;;;;;3.68;;0.46;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM414888;MM414888;C#CCN(C=O)C=NN;OWFPXYDQCONLCD-UHFFFAOYSA-N;125.13;-1.02;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_P2";;;;;;;-1.06;;-3.82;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM414889;MM414889;CC(C=O)NN(C=N)C=O;AOTFNCSGSAXCKB-UHFFFAOYSA-N;143.15;-0.86;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_P4";;;;;;;-1.19;;-4.76;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM414890;MM414890;CCC=CC(C)(C)C(C)O;SRMUKKMMCVLLBW-UHFFFAOYSA-N;142.24;2.36;;;;;DOPC;MDCG;27;0;"MARTINI bead: C3_Nda";;;;;;;2.57;;0.44;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM414891;MM414891;C=Cc1cnn(CC#N)c1;VIERLXKKLJFBRG-UHFFFAOYSA-N;133.15;1.05;;;;;DOPC;MDCG;27;0;"MARTINI bead: SN0_SNa";;;;;;;1.17;;-1.18;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM414892;MM414892;C=C1CC=C(C=CC)C1C;QMOOHPNPHKMSKY-UHFFFAOYSA-N;134.22;3.08;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC2_SC4";;;;;;;4.16;;0.44;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM414893;MM414893;C#CC(=CF)CCCCN;ZAVSIAIMCDHWQG-UHFFFAOYSA-N;141.19;1.6;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_C5";;;;;;;1.64;;-2.7;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM414894;MM414894;CC(C)N(C=O)C=NN;SZLNUOCSXWAFFX-UHFFFAOYSA-N;129.16;-0.24;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_P1";;;;;;;-0.79;;-3.13;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM414895;MM414895;CN(C)C=NC(=O)C(=N)N;GFNDRNMGHSBPMX-UHFFFAOYSA-N;142.16;-0.96;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_P2";;;;;;;-1.06;;-3.82;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM414896;MM414896;COC(=CF)C(C)OC=O;HTRKJQVUNKNZFK-UHFFFAOYSA-N;148.13;1.01;;;;;DOPC;MDCG;27;0;"MARTINI bead: N0_Na";;;;;;;1.17;;-1.18;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM414897;MM414897;C=CCn1cc(C=O)cn1;LIMBCPYABYDBSX-UHFFFAOYSA-N;136.15;0.88;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNa_SP1";;;;;;;0.04;;-2.54;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM414898;MM414898;CC=CC1=CCC(=O)C1C;FEGRDABAMKYHCE-UHFFFAOYSA-N;136.19;2.1;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC2_SNa";;;;;;;2.83;;0.35;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM414899;MM414899;C#CC(=CC)CCCNC;FIBMZJCHWXYGNN-UHFFFAOYSA-N;137.23;1.57;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_C4";;;;;;;2.2;;-2.58;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM414900;MM414900;O=C(O)CNC(=O)C(=O)O;BIMZLRFONYSTPT-UHFFFAOYSA-N;147.09;-1.73;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_P2";;;;;;;-1.06;;-8.64;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM414901;MM414901;CCC1=CC2CC2(CF)C1;VOKMUZBRCATCIJ-UHFFFAOYSA-N;140.2;2.7;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC2_SC5";;;;;;;3.6;;0.34;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM414902;MM414902;C=NOC(C)C(=CC)OC;GMZJEEGGFDQXDB-UHFFFAOYSA-N;143.19;1.56;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_Na";;;;;;;1.64;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM414903;MM414903;C=CCn1cc(C#N)cn1;RTKFYEAZFSHTHP-UHFFFAOYSA-N;133.15;0.94;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNa_SP1";;;;;;;0.04;;-2.54;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM414904;MM414904;CC=CC1=CNC(=N)C1C;JRHVBGSCEJJGQU-UHFFFAOYSA-N;136.2;1.66;;;;;DOPC;MDCG;27;1;"MARTINI bead: SN0_SNd";;;;;;;1.17;;-4.66;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM414905;MM414905;NCC1=CC2CC2(CF)C1;CJGDRPVBBKBROW-UHFFFAOYSA-N;141.19;1.25;;;;;DOPC;MDCG;27;1;"MARTINI bead: SNd_SC5";;;;;;;1.64;;-2.14;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM414906;MM414906;N#CC(CC(=O)O)C(N)=O;MZPJERBBRQHDMI-UHFFFAOYSA-N;142.11;-0.91;;;;;DOPC;MDCG;27;0;"MARTINI bead: P3_P1";;;;;;;-1.93;;-9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM414907;MM414907;C#CC(=CC)CCCOC;ZZHVGRVTXADRNO-UHFFFAOYSA-N;138.21;1.99;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_C4";;;;;;;2.2;;0.34;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM414908;MM414908;C#CC(=O)C(C)=C(N)NC;QHZKEDSRNJGGOT-UHFFFAOYSA-N;138.17;-0.4;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_Nda";;;;;;;-0.24;;-3.31;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM414909;MM414909;N#CCn1cc(C=O)cn1;OSLUIMGZDYGNNS-UHFFFAOYSA-N;135.13;0.22;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP1_SNa";;;;;;;0.04;;-2.54;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM414910;MM414910;CC=CC1=CNC(=O)C1C;PRRXMBYSCHBFKU-UHFFFAOYSA-N;137.18;1.21;;;;;DOPC;MDCG;27;0;"MARTINI bead: SN0_SP1";;;;;;;0.34;;-1.53;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM414911;MM414911;OCC1=CC2CC2(CF)C1;FYEFLFRHOMQCNA-UHFFFAOYSA-N;142.17;1.28;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNda_SC5";;;;;;;1.64;;0.05;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM414912;MM414912;C#CCc1cn(N)c(=O)o1;KMYQTBFYWCFUGE-UHFFFAOYSA-N;138.13;-0.67;;;;;DOPC;MDCG;27;0;"MARTINI bead: SN0_SP3";;;;;;;-0.8;;-2.99;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM414913;MM414913;C#CC(=CF)CCCOC;IAALXKQQKROQBK-UHFFFAOYSA-N;142.17;1.9;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_C5";;;;;;;1.64;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM414914;MM414914;CN(CC#N)C(CO)=NO;FGSAUADEFYVPPL-UHFFFAOYSA-N;143.15;-0.78;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_P2";;;;;;;-1.34;;-4.31;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM414915;MM414915;N#CCn1cc(C#N)cn1;FXFZUVHEJMMHKM-UHFFFAOYSA-N;132.13;0.28;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNa_SP1";;;;;;;0.04;;-2.54;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM414916;MM414916;CC=CC1=CCC(=O)N1C;QXMCVRSHEOVSGC-UHFFFAOYSA-N;137.18;1.31;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC5_SP1";;;;;;;0.81;;-0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM414917;MM414917;CON(C)C(=N)C(F)=CN;JDSNEPOIBSZSOO-UHFFFAOYSA-N;147.15;0.23;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_Nda";;;;;;;-0.24;;-3.31;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM414918;MM414918;CCC12CC(OC)=CC1C2;DKMOJZGDPJLFSS-UHFFFAOYSA-N;138.21;2.34;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC3_SC5";;;;;;;3.34;;0.48;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM414919;MM414919;C#CC(=CC)CCNCC;AXEQXMRLUCMLPG-UHFFFAOYSA-N;137.23;1.57;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_C4";;;;;;;2.2;;-2.45;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM414920;MM414920;CCNN=COC(C)CC;PIOJSHQBHRQPFI-UHFFFAOYSA-N;144.22;1.35;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nd_Na";;;;;;;0.87;;-1.88;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM414921;MM414921;C=CCn1cc(C=C)nn1;MWGXEDZKWNLULX-UHFFFAOYSA-N;135.17;1.11;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNa_SP1";;;;;;;0.04;;-2.54;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM414922;MM414922;C=C1C(C=CC)=CCC1F;FXZXKOJOJLQDKK-UHFFFAOYSA-N;138.19;2.79;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC1_SC5";;;;;;;3.68;;0.46;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM414923;MM414923;CCC(O)C(C)C=CCF;ITLKUHCCRHPZIM-UHFFFAOYSA-N;146.21;1.92;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda_C2";;;;;;;2.83;;0.57;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM414924;MM414924;COC1=CC2CC2(CN)C1;JPGUNLDSALKUHZ-UHFFFAOYSA-N;139.2;0.89;;;;;DOPC;MDCG;27;1;"MARTINI bead: SC5_SNd";;;;;;;1.64;;-2.36;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM414925;MM414925;C#CC(=CC)CCOCC;NTRUGCURHSMLKS-UHFFFAOYSA-N;138.21;1.99;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_C4";;;;;;;2.2;;0.34;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM414926;MM414926;CCC(=NO)N(O)CC#N;ZTRYUCYWWLRFMJ-UHFFFAOYSA-N;143.15;0.4;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda_P2";;;;;;;-0.24;;-3.31;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM414927;MM414927;C=Cc1cn(CC#N)nn1;ZYIYJILMFLLTKS-UHFFFAOYSA-N;134.14;0.44;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP1_SP1";;;;;;;-0.79;;-3.13;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM414928;MM414928;CC=CC1=CCN(C)C1=N;DSUQUYOWMXEAQN-UHFFFAOYSA-N;136.2;1.41;;;;;DOPC;MDCG;27;1;"MARTINI bead: SN0_SP1";;;;;;;0.34;;-5.31;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM414929;MM414929;C=NOC(=NN)N(C)C=O;BPPOTEPDAFKCOI-UHFFFAOYSA-N;144.13;-1.06;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_Nda";;;;;;;-0.24;;-3.31;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM414930;MM414930;COC1=CC2CC2(CO)C1;KFLGLXYHEMFVFR-UHFFFAOYSA-N;140.18;0.92;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC5_SNda";;;;;;;1.64;;0.05;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM414931;MM414931;C#CC(=CF)CCOCC;YSSHWKBREXUZBZ-UHFFFAOYSA-N;142.17;1.9;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_C5";;;;;;;1.64;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM414932;MM414932;C#CC=CC(=NNC)OC;XWROTYOLSNXAAU-UHFFFAOYSA-N;138.17;0.36;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_N0";;;;;;;0.34;;-1.53;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM414933;MM414933;C=CCn1cc(C=O)nn1;LEBJDLXHGJZMER-UHFFFAOYSA-N;137.14;0.28;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNa_SP1";;;;;;;0.04;;-2.54;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM414934;MM414934;CNC(=NOC)C(F)=CN;ZKASXECZXJVAFZ-UHFFFAOYSA-N;147.15;-0.06;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_Nda";;;;;;;0.04;;-2.73;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM414935;MM414935;C=C1CC=C(C=CC)C1=C;NMCPDQQUUADJQL-UHFFFAOYSA-N;132.21;3.01;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC1_SC5";;;;;;;3.68;;0.46;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM414936;MM414936;COC1=CC2CC2(CF)C1;KYBLOTOZZUBJFG-UHFFFAOYSA-N;142.17;1.9;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC5_SC5";;;;;;;2.41;;0.64;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM414937;MM414937;C#CC(CCCCC)=NN;MBNZFPPOXVNCLO-UHFFFAOYSA-N;138.21;1.51;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1_Nd";;;;;;;2.91;;0.63;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM414938;MM414938;C=NNC=C(C#N)CCC;VXMBXQVQUZLLKG-UHFFFAOYSA-N;137.19;1.4;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4_P1";;;;;;;1.37;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM414939;MM414939;C=CCn1cc(C#N)nn1;ZKSYQMPUHVTNSS-UHFFFAOYSA-N;134.14;0.34;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNa_SP1";;;;;;;0.04;;-2.54;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM414940;MM414940;NC(=O)OC(=NO)C(=O)O;KABLSPIBURQJTI-UHFFFAOYSA-N;148.07;-1.05;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_P1";;;;;;;-1.06;;-8.64;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM414941;MM414941;C=C1C(=O)CC=C1C=CC;LUTTZBJRUAJYNQ-UHFFFAOYSA-N;134.18;2.02;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC2_SNa";;;;;;;2.83;;0.35;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM414942;MM414942;CCC1=CC2CC2(NC)C1;BGNSBENTQIKVEP-UHFFFAOYSA-N;137.23;1.7;;;;;DOPC;MDCG;27;1;"MARTINI bead: SC2_SNd";;;;;;;2.83;;-0.6;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM414943;MM414943;C#CC(CCCCC)=NO;HIEUPTMQCVDWMR-UHFFFAOYSA-N;139.2;2.03;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1_Nda";;;;;;;2.91;;0.57;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM414944;MM414944;C=CCN(N)C(=NN)NN;UMXHVGUGWKORDZ-UHFFFAOYSA-N;144.18;-1.96;;;;;DOPC;MDCG;27;1;"MARTINI bead: P4_N0";;;;;;;-0.88;;-5.93;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM414945;MM414945;N#CCn1cc(C=O)nn1;PTDWAJDPACDVHJ-UHFFFAOYSA-N;136.11;-0.39;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP1_SP1";;;;;;;-0.79;;-3.13;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM414946;MM414946;COc1nnc(=N)n(C)n1;XSNUCPFTKUKMAE-UHFFFAOYSA-N;141.13;-1.3;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP2_SP3";;;;;;;-2.2;;-5.19;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM414947;MM414947;CC=CC1=CCC(=O)C1=O;ZPCZRLUQTYPXEV-UHFFFAOYSA-N;136.15;1.03;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC2_SNa";;;;;;;2.83;;0.35;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM414948;MM414948;CNC12CC(CN)=CC1C2;HWMVUSHMHAEMKM-UHFFFAOYSA-N;138.21;0.25;;;;;DOPC;MDCG;27;1;"MARTINI bead: SNd_SNd";;;;;;;0.87;;-4.91;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM414949;MM414949;CCNC(=NC=NN)OC;OYKOTRHQBOVXEY-UHFFFAOYSA-N;144.18;-0.5;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda_P1";;;;;;;0.04;;-2.73;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM414950;MM414950;C#CC(CCCOC)=NN;HSKDYBSOGUKXRU-UHFFFAOYSA-N;140.19;0.36;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_Nd";;;;;;;0.87;;-1.88;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM414951;MM414951;N#CCn1cc(C#N)nn1;ZOMQOEYSJSPGOL-UHFFFAOYSA-N;133.11;-0.33;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP1_SP1";;;;;;;-0.79;;-3.13;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM414952;MM414952;COc1nnc(=O)n(C)n1;VRDLXKRHMNCPJX-UHFFFAOYSA-N;142.12;-1.42;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP2_SP3";;;;;;;-2.2;;-5.19;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM414953;MM414953;C=C1C(=N)NC=C1C=CC;XYCJOECVVOGWPX-UHFFFAOYSA-N;134.18;1.58;;;;;DOPC;MDCG;27;1;"MARTINI bead: SN0_SNd";;;;;;;1.17;;-4.05;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM414954;MM414954;CNC12CC(CO)=CC1C2;TVUYSLQQXGVLDG-UHFFFAOYSA-N;139.2;0.29;;;;;DOPC;MDCG;27;1;"MARTINI bead: SNd_SNda";;;;;;;0.87;;-4.26;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM414955;MM414955;C#Cc1[nH]c(C)c(N)c1N;BPBCJYLIPSZZKZ-UHFFFAOYSA-N;135.17;0.47;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNd_SNd";;;;;;;0.87;;-2.11;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM414956;MM414956;C#CC(CCNCC)=NN;NIEAMKYNSSMEKM-UHFFFAOYSA-N;139.2;-0.07;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_P1";;;;;;;0.04;;-5.11;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM414957;MM414957;C=CCn1ccc(C=C)n1;ZVWKEBJEQKRERU-UHFFFAOYSA-N;134.18;1.71;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNa_SN0";;;;;;;1.17;;-1.18;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM414958;MM414958;C=C1C(=O)NC=C1C=CC;PKTVGMWPOMCSAS-UHFFFAOYSA-N;135.17;1.13;;;;;DOPC;MDCG;27;0;"MARTINI bead: SN0_SP1";;;;;;;0.34;;-1.53;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM414959;MM414959;COc1nnc(=N)n(N)n1;SQVFEMNRUKBDCG-UHFFFAOYSA-N;142.12;-2.13;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP2_SP3";;;;;;;-2.2;;-5.19;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM414960;MM414960;CNC12CC(CF)=CC1C2;LZQJGWBYTNVYGO-UHFFFAOYSA-N;141.19;1.26;;;;;DOPC;MDCG;27;1;"MARTINI bead: SNd_SC5";;;;;;;1.64;;-2.54;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM414961;MM414961;O=CCN(O)C(=NO)NO;UHIPFQRIECPNMU-UHFFFAOYSA-N;149.11;-1.4;;;;;DOPC;MDCG;27;0;"MARTINI bead: P5_Na";;;;;;;-1.11;;-5.49;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM414962;MM414962;C#CC(CCNCC)=NO;MEOVMDHNKZOQGX-UHFFFAOYSA-N;140.19;0.45;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_P1";;;;;;;0.04;;-6.38;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM414963;MM414963;C=Cc1ccn(CC#N)n1;ZMBRXSJQPMJGNN-UHFFFAOYSA-N;133.15;1.05;;;;;DOPC;MDCG;27;0;"MARTINI bead: SN0_SNa";;;;;;;1.17;;-1.18;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM414964;MM414964;C=C1C(=O)OC=C1C=CC;QVZOQXWDWDRNAC-UHFFFAOYSA-N;136.15;1.56;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC5_SNa";;;;;;;1.64;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM414965;MM414965;COc1nnc(=O)n(N)n1;NDXXPZTYNCASKP-UHFFFAOYSA-N;143.11;-2.24;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP2_SP4";;;;;;;-2.29;;-5.95;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM414966;MM414966;C#CC(CCOCC)=NN;PJXHSKVJCLWGOV-UHFFFAOYSA-N;140.19;0.36;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_Nd";;;;;;;0.87;;-1.88;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM414968;MM414968;CNC12CC(OC)=CC1C2;XJAZLQUBAGUHFJ-UHFFFAOYSA-N;139.2;0.9;;;;;DOPC;MDCG;27;1;"MARTINI bead: SNd_SC5";;;;;;;1.64;;-2.31;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM414967;MM414967;C=CC(C=O)=CNN=CC;VOBLCFUNCSRBSD-UHFFFAOYSA-N;138.17;0.85;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nd_Na";;;;;;;0.87;;-1.88;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM414969;MM414969;CC#CC1=CCC(C)C1C;VYAQKDPAXKTWHU-UHFFFAOYSA-N;134.22;2.61;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC2_SC4";;;;;;;4.16;;0.44;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM414970;MM414970;C=CCn1ccc(C=O)n1;FWKYQCTYVYGTMV-UHFFFAOYSA-N;136.15;0.88;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNa_SP1";;;;;;;0.04;;-2.54;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM414971;MM414971;C#CC(CC#N)CON=C;AHWWFCTVSLBUCX-UHFFFAOYSA-N;136.15;0.78;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_N0";;;;;;;0.34;;-1.53;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM414972;MM414972;C=NNC1CC1(C#N)NC;POEKESWDYNFLTE-UHFFFAOYSA-N;138.17;-0.55;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP1_P2";;;;;;;-1.06;;-3.82;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM414973;MM414973;CCC1=CC2CC2(OC)C1;GDNIZVHIRMIFOQ-UHFFFAOYSA-N;138.21;2.13;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC2_SNa";;;;;;;2.83;;0.35;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM414974;MM414974;C#CC(CCOCC)=NO;WGUPSEURZCOYBI-UHFFFAOYSA-N;141.17;0.88;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_Nda";;;;;;;0.87;;-1.99;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM414975;MM414975;C=CCn1ccc(C#N)n1;RXMLHURKWXXOEU-UHFFFAOYSA-N;133.15;0.94;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNa_SP1";;;;;;;0.04;;-2.54;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM414976;MM414976;CC#CC1=CCC(N)C1C;YRQIMMYOWNLPDX-UHFFFAOYSA-N;135.21;1.3;;;;;DOPC;MDCG;27;1;"MARTINI bead: SC2_SNd";;;;;;;2.83;;-0.91;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM414977;MM414977;CC(C#N)OC=CC(=O)O;HVRHCGSASAASBK-UHFFFAOYSA-N;141.13;0.51;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_P1";;;;;;;0.81;;-5.44;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM414978;MM414978;COC(=NO)N(O)CC=O;QCUDQPOOGFSURN-UHFFFAOYSA-N;148.12;-0.73;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_P2";;;;;;;-1.34;;-4.31;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM414979;MM414979;N#CCn1ccc(C=O)n1;KTYMKYGHPYLYHK-UHFFFAOYSA-N;135.13;0.22;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP1_SNa";;;;;;;0.04;;-2.54;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM414980;MM414980;COC12CC(CN)=CC1C2;IOPDWVQILWJIKB-UHFFFAOYSA-N;139.2;0.68;;;;;DOPC;MDCG;27;1;"MARTINI bead: SNa_SNd";;;;;;;0.87;;-4.13;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM414981;MM414981;C#CC(=CC)CNCCC;LDRAJPDSURDTNL-UHFFFAOYSA-N;137.23;1.57;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_C4";;;;;;;2.2;;-1.43;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM414982;MM414982;NN(C=O)C=NN=CCF;XDMOPUJPRFKLIW-UHFFFAOYSA-N;146.13;-0.7;;;;;DOPC;MDCG;27;0;"MARTINI bead: P4_C5";;;;;;;-0.41;;-2.78;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM414983;MM414983;C=Cc1ccc(=O)n(C)c1;OPYPIFDFOLUUSH-UHFFFAOYSA-N;135.17;1.03;;;;;DOPC;MDCG;27;0;"MARTINI bead: SN0_SNa";;;;;;;1.17;;-1.18;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM414984;MM414984;COC12CC(CO)=CC1C2;ZBZNNFBQZIYNCT-UHFFFAOYSA-N;140.18;0.71;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNa_SNda";;;;;;;0.87;;-1.99;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM414985;MM414985;C#CC(=CF)CNCCC;PESJGVWSAPQCDB-UHFFFAOYSA-N;141.19;1.47;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_C5";;;;;;;1.64;;-1.42;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM414986;MM414986;N#CCn1ccc(C#N)n1;AOUNJCVNPWVMTF-UHFFFAOYSA-N;132.13;0.28;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNa_SP1";;;;;;;0.04;;-2.54;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM414987;MM414987;CNC(=NN)N(C)NC=N;DWFPQOYBMKPXDJ-UHFFFAOYSA-N;144.18;-1.52;;;;;DOPC;MDCG;27;1;"MARTINI bead: P2_P3";;;;;;;-2.2;;-7.8;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM414988;MM414988;CC#CC1=CCC(F)C1C;KOKCRKIKJACOKX-UHFFFAOYSA-N;138.19;2.31;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC2_SC5";;;;;;;3.6;;0.34;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM414989;MM414989;C=Cc1ccc(=N)n(N)c1;BBRQSORAWQLNOV-UHFFFAOYSA-N;135.17;0.32;;;;;DOPC;MDCG;27;1;"MARTINI bead: SN0_SP1";;;;;;;0.34;;-4.76;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM414990;MM414990;COC12CC(CF)=CC1C2;IWDRXODHEADNMI-UHFFFAOYSA-N;142.17;1.69;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNa_SC5";;;;;;;1.64;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM414991;MM414991;C#CC(=CF)CNCCN;HAFCUOXWOYALAU-UHFFFAOYSA-N;142.18;0.02;;;;;DOPC;MDCG;27;1;"MARTINI bead: P3_C5";;;;;;;-0.33;;-4;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM414992;MM414992;CNC(=NN)N(C)NC=O;BUMVVIHGYKRVRH-UHFFFAOYSA-N;145.17;-1.97;;;;;DOPC;MDCG;27;1;"MARTINI bead: P2_P3";;;;;;;-2.2;;-7.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM414993;MM414993;C=CCn1cnc(C=C)n1;MHDWNYUPYYJJTA-UHFFFAOYSA-N;135.17;1.11;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNa_SNa";;;;;;;0.87;;-2.22;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM414994;MM414994;C=Cc1ccc(=N)n(O)c1;CSFRAEOEYGIKLD-UHFFFAOYSA-N;136.15;0.85;;;;;DOPC;MDCG;27;1;"MARTINI bead: SN0_SNda";;;;;;;1.17;;-3.95;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM414995;MM414995;CC#CC1=CCC(C)C1N;GGKKECZUXAJFFJ-UHFFFAOYSA-N;135.21;1.3;;;;;DOPC;MDCG;27;1;"MARTINI bead: SC5_SC4";;;;;;;2.97;;0.47;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM414996;MM414996;COC1=CC2CC2(OC)C1;KLFKJYYWPVNSOO-UHFFFAOYSA-N;140.18;1.33;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC5_SNa";;;;;;;1.64;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM414997;MM414997;C=Cc1ncn(CC#N)n1;LSPLGQCJASUMIX-UHFFFAOYSA-N;134.14;0.44;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNa_SP1";;;;;;;0.04;;-2.54;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM414998;MM414998;C#CC(CNCCF)=NN;MNECTGOMZIHCNF-UHFFFAOYSA-N;143.17;-0.51;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_P1";;;;;;;-0.79;;-3.13;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM414999;MM414999;Cn1cc(C=O)ncc1=N;FJDFVEKIYVJMHB-UHFFFAOYSA-N;137.14;-0.29;;;;;DOPC;MDCG;27;1;"MARTINI bead: SP1_SP2";;;;;;;-1.06;;-5.41;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM415000;MM415000;CNC(=NO)N(C)NC=N;VLGWGOXGTNLVFG-UHFFFAOYSA-N;145.17;-1.01;;;;;DOPC;MDCG;27;1;"MARTINI bead: P2_P3";;;;;;;-2.2;;-7.16;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM415001;MM415001;CC#CC1=COC(C)C1C;JDFVTVDHUGFYNB-UHFFFAOYSA-N;136.19;1.95;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC4_SNa";;;;;;;2.2;;0.34;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM415002;MM415002;CCC1=NC2(CC)CC2N1;HIXSLMZSRWCQOR-UHFFFAOYSA-N;138.21;1.32;;;;;DOPC;MDCG;27;1;"MARTINI bead: SNd_SN0";;;;;;;1.17;;-3.29;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM415003;MM415003;C#CC(CNCCN)=NO;FFGSEKDCJVTNAM-UHFFFAOYSA-N;141.17;-1;;;;;DOPC;MDCG;27;1;"MARTINI bead: P3_P1";;;;;;;-1.93;;-6.4;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM415004;MM415004;C=CCn1cnc(C=O)n1;BPYYGQAHULJGMW-UHFFFAOYSA-N;137.14;0.28;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNa_SP2";;;;;;;-0.24;;-3.24;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM415005;MM415005;CC#CC1=COC(C)C1N;JQLNDPSFSNPTSH-UHFFFAOYSA-N;137.18;0.64;;;;;DOPC;MDCG;27;1;"MARTINI bead: SNd_SNa";;;;;;;0.87;;-3.15;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM415006;MM415006;Cn1oc(=NN)n(N)c1=O;OFSUVLVWEDJUEE-UHFFFAOYSA-N;145.12;-2.73;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP2_SP3";;;;;;;-2.2;;-5.19;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM415007;MM415007;CN=C(NN)N(C)NC=N;DWFPQOYBMKPXDJ-UHFFFAOYSA-N;144.18;-1.52;;;;;DOPC;MDCG;27;1;"MARTINI bead: P2_P3";;;;;;;-2.2;;-8.4;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM415008;MM415008;C#CC(=CC)COCCC;CKCRGJRLTWNTBN-UHFFFAOYSA-N;138.21;1.99;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_C4";;;;;;;2.2;;0.34;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM415009;MM415009;CCC12CC1N=C(CN)N2;KBTGTTIXQPKSNO-UHFFFAOYSA-N;139.2;-0.13;;;;;DOPC;MDCG;27;1;"MARTINI bead: SC3_SP2";;;;;;;1.46;;-1.29;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM415010;MM415010;C=CCn1cnc(C#N)n1;CBBFWPNYAFQGOQ-UHFFFAOYSA-N;134.14;0.34;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNa_SP1";;;;;;;0.04;;-2.54;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM415011;MM415011;C=Cc1cnc(=N)n(C)c1;SVEGYQHRVZHEJJ-UHFFFAOYSA-N;135.17;0.54;;;;;DOPC;MDCG;27;1;"MARTINI bead: SP1_SNda";;;;;;;0.04;;-7.93;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM415012;MM415012;CN(NC=N)C(=NN)NN;MUUTYENDVSQMIM-UHFFFAOYSA-N;145.17;-2.28;;;;;DOPC;MDCG;27;1;"MARTINI bead: P4_P2";;;;;;;-2.29;;-8.1;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM415013;MM415013;CC#CC1=NNC(C)C1C;OLVUHSDMQRDVBU-UHFFFAOYSA-N;136.2;0.99;;;;;DOPC;MDCG;27;0;"MARTINI bead: SN0_SP1";;;;;;;0.34;;-1.53;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM415014;MM415014;C#CC(=CC)COCCN;OOQDJCCDJOTQEN-UHFFFAOYSA-N;139.2;0.54;;;;;DOPC;MDCG;27;1;"MARTINI bead: C4_P2";;;;;;;1.09;;-2.38;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM415015;MM415015;CCC12CC1N=C(CF)N2;PVYNVAHMDMWHRP-UHFFFAOYSA-N;142.18;0.88;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC3_SNda";;;;;;;2.57;;0.44;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM415016;MM415016;N#CCn1cnc(C=O)n1;WUYDARKQKJQMKA-UHFFFAOYSA-N;136.11;-0.39;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP2_SP1";;;;;;;-1.06;;-3.82;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM415017;MM415017;Cn1cc(C=O)cnc1=N;XUERWRPXQPKDPZ-UHFFFAOYSA-N;137.14;-0.29;;;;;DOPC;MDCG;27;1;"MARTINI bead: SP1_SNda";;;;;;;0.04;;-7.28;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM415018;MM415018;CN(NC=O)C(=NN)NN;BFYKQNABSKNMNW-UHFFFAOYSA-N;146.15;-2.73;;;;;DOPC;MDCG;27;1;"MARTINI bead: P4_P4";;;;;;;-3.24;;-9.14;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM415019;MM415019;CC#CC1=NOC(C)C1C;KUECAUKZKWWKMG-UHFFFAOYSA-N;137.18;1.42;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC5_SNa";;;;;;;1.64;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM415020;MM415020;CCC1=NC2CC2(CN)N1;PDPMLORNARBOBU-UHFFFAOYSA-N;139.2;-0.13;;;;;DOPC;MDCG;27;1;"MARTINI bead: SNd_SP2";;;;;;;-0.24;;-5.1;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM415021;MM415021;N#CCn1cnc(C#N)n1;NHHUSKXMIIJIAN-UHFFFAOYSA-N;133.11;-0.33;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP1_SP1";;;;;;;-0.79;;-3.13;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM415022;MM415022;Cn1cc(C#N)cnc1=N;HSDZPUGVLDUZDV-UHFFFAOYSA-N;134.14;-0.23;;;;;DOPC;MDCG;27;1;"MARTINI bead: SP1_SNda";;;;;;;0.04;;-6.82;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM415023;MM415023;C#CC(=CC)COCOC;OREUWZVSEZYVPJ-UHFFFAOYSA-N;140.18;1.19;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_C4";;;;;;;1.09;;-0.38;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM415024;MM415024;CN(NC=N)C(=NO)NN;YLGVSXQXBIUZQO-UHFFFAOYSA-N;146.15;-1.76;;;;;DOPC;MDCG;27;1;"MARTINI bead: P3_P2";;;;;;;-2.2;;-7.14;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM415025;MM415025;CC#CC1=CCN(C)C1C;JYSRXRJCQWGTKL-UHFFFAOYSA-N;135.21;1.27;;;;;DOPC;MDCG;27;1;"MARTINI bead: SN0_SNd";;;;;;;1.17;;-2.26;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM415026;MM415026;NCC1=NC2(CN)CC2N1;LKGVKIMLTWORQA-UHFFFAOYSA-N;140.19;-1.58;;;;;DOPC;MDCG;27;1;"MARTINI bead: SP2_SP2";;;;;;;-1.34;;-5.54;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM415028;MM415028;C=Cc1cnc(=O)n(C)c1;RNTKJCSTLWUVNB-UHFFFAOYSA-N;136.15;0.42;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP1_SP1";;;;;;;-0.79;;-3.13;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM415027;MM415027;C=CCn1ncc(C=C)n1;SVSDWUFEGCLUGM-UHFFFAOYSA-N;135.17;1.11;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNa_SP1";;;;;;;0.04;;-2.54;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM415029;MM415029;C#CC(=CF)COCOC;ZXMDUSOKSNZZIO-UHFFFAOYSA-N;144.15;1.09;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_C5";;;;;;;0.81;;-0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM415030;MM415030;Cn1nc(NN)ccc1=O;HGEARMNDKKNNNP-UHFFFAOYSA-N;140.15;-0.93;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP1_SP2";;;;;;;-1.06;;-3.82;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM415031;MM415031;C=C1CC=C(C#CC)C1C;ZZBWWLFNUSXYLC-UHFFFAOYSA-N;132.21;2.53;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC2_SC5";;;;;;;3.6;;0.34;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM415032;MM415032;CCC1=NC2CC2(CO)N1;QAAZOJUHIAHVSH-UHFFFAOYSA-N;140.19;-0.1;;;;;DOPC;MDCG;27;1;"MARTINI bead: SNd_SP2";;;;;;;-0.24;;-4.8;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM415033;MM415033;C#CC(COCCC)=NN;XANNKXDAGGSSII-UHFFFAOYSA-N;140.19;0.36;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_Nd";;;;;;;0.87;;-1.88;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM415034;MM415034;C=Cc1cnn(CC#N)n1;WZBWWIRQNZPYFV-UHFFFAOYSA-N;134.14;0.44;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP1_SP1";;;;;;;-0.79;;-3.13;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM415035;MM415035;Cn1cc(C=O)cnc1=O;BMSBZNKCMPSYQW-UHFFFAOYSA-N;138.13;-0.41;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP1_SP1";;;;;;;-0.79;;-3.13;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM415036;MM415036;CC#CC1=CCC(=O)C1C;LQNARUGKISSIFE-UHFFFAOYSA-N;134.18;1.55;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC3_SNa";;;;;;;2.57;;0.45;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM415037;MM415037;CN=C(NO)N(C)NC=N;VLGWGOXGTNLVFG-UHFFFAOYSA-N;145.17;-1.01;;;;;DOPC;MDCG;27;1;"MARTINI bead: P2_P2";;;;;;;-1.34;;-6.55;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM415038;MM415038;NCC1=NC2(CO)CC2N1;JVTYAKGYPCIPFP-UHFFFAOYSA-N;141.17;-1.55;;;;;DOPC;MDCG;27;1;"MARTINI bead: SP2_SP2";;;;;;;-1.34;;-5.41;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM415039;MM415039;C#CC(COCCF)=NN;RQUYFMZIOQCAAW-UHFFFAOYSA-N;144.15;-0.08;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_Na";;;;;;;0.04;;-2.54;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM415040;MM415040;Cn1cc(C#N)cnc1=O;SUHPOEHIBTYTKG-UHFFFAOYSA-N;135.13;-0.35;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP1_SP1";;;;;;;-0.79;;-3.13;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM415041;MM415041;C=CCn1ncc(C=O)n1;NRHPJTJUISDEKU-UHFFFAOYSA-N;137.14;0.28;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNa_SP1";;;;;;;0.04;;-2.54;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM415042;MM415042;C=C1CC=C(C#CC)C1N;HLXPXUOABQMTBD-UHFFFAOYSA-N;133.19;1.22;;;;;DOPC;MDCG;27;1;"MARTINI bead: SC5_SC5";;;;;;;2.41;;0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM415043;MM415043;CN(NC=N)C(=NN)NO;YLGVSXQXBIUZQO-UHFFFAOYSA-N;146.15;-1.76;;;;;DOPC;MDCG;27;1;"MARTINI bead: P3_P2";;;;;;;-2.2;;-7.15;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM415044;MM415044;C=CCn1ncc(C#N)n1;JNFYPSVLEMOKCF-UHFFFAOYSA-N;134.14;0.34;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNa_SP1";;;;;;;0.04;;-2.54;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM415045;MM415045;C=Cc1cnc(=N)n(N)c1;GXOGQDYIBKQONY-UHFFFAOYSA-N;136.16;-0.28;;;;;DOPC;MDCG;27;1;"MARTINI bead: SP1_SP2";;;;;;;-1.06;;-7.35;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM415046;MM415046;FCC1=NC2(CF)CC2N1;FEXBEJHZVUFQHV-UHFFFAOYSA-N;146.14;0.44;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNda_SP1";;;;;;;0.04;;-2.73;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM415047;MM415047;C#CC(COCOC)=NN;HGMJXZGGLFFZEF-UHFFFAOYSA-N;142.16;-0.45;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_Nd";;;;;;;-0.24;;-3.16;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM415048;MM415048;CNc1cc(=NN)onn1;RLMZFEGJVNUZKQ-UHFFFAOYSA-N;141.13;-1.11;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP2_SP2";;;;;;;-1.34;;-4.31;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM415049;MM415049;C=C1CC=C(C#CC)C1O;PPQYPVGMPHJZMC-UHFFFAOYSA-N;134.18;1.26;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC5_SC5";;;;;;;2.41;;0.64;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM415050;MM415050;C=Cc1cnc(=O)n(N)c1;USAQXKWLYSWIQA-UHFFFAOYSA-N;137.14;-0.4;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP1_SP2";;;;;;;-1.06;;-3.82;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM415051;MM415051;N#CCn1ncc(C=O)n1;CGWKTVLAWJVWLU-UHFFFAOYSA-N;136.11;-0.39;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP1_SP1";;;;;;;-0.79;;-3.13;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM415052;MM415052;CCC12CC1N=C(NC)N2;ZNIGLYCOSHNKBA-UHFFFAOYSA-N;139.2;0.09;;;;;DOPC;MDCG;27;1;"MARTINI bead: SC3_SP1";;;;;;;1.74;;-3.36;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM415053;MM415053;C#CC(=NCCCC)NC;IDXNKIVFOSNGRJ-UHFFFAOYSA-N;138.21;1.04;;;;;DOPC;MDCG;27;1;"MARTINI bead: C1_P1";;;;;;;2.08;;-0.8;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM415054;MM415054;CN=C(OC)N(C)NC=N;OYRSEVOSRSBCID-UHFFFAOYSA-N;144.18;-0.34;;;;;DOPC;MDCG;27;1;"MARTINI bead: Na_P4";;;;;;;-1.19;;-6.58;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM415055;MM415055;CC#CC1=CNC(=N)C1C;MDPMVCNQWRLRQK-UHFFFAOYSA-N;134.18;1.11;;;;;DOPC;MDCG;27;1;"MARTINI bead: SN0_SNd";;;;;;;1.17;;-4.12;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM415057;MM415057;C=Cc1cnc(=N)n(O)c1;AOMSNXSKPOAXPI-UHFFFAOYSA-N;137.14;0.24;;;;;DOPC;MDCG;27;1;"MARTINI bead: SP1_SP2";;;;;;;-1.06;;-6.92;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM415056;MM415056;CCC12CC1N=C(NN)N2;CHDZALHDNZLEGO-UHFFFAOYSA-N;140.19;-0.67;;;;;DOPC;MDCG;27;1;"MARTINI bead: SC3_SP2";;;;;;;1.46;;-3.34;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM415058;MM415058;N#CCn1ncc(C#N)n1;RJIBBNWXIBHRIE-UHFFFAOYSA-N;133.11;-0.33;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP1_SP1";;;;;;;-0.79;;-3.13;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM415059;MM415059;C#CC(=NCCCN)NO;TZCVKAPTDZFJMW-UHFFFAOYSA-N;141.17;-0.65;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_P2";;;;;;;-0.24;;-5.3;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM415060;MM415060;C=NN=C1C=CC(=NN)C1;KOCRIHKVDBJDHU-UHFFFAOYSA-N;136.16;0.32;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNd_SC5";;;;;;;1.64;;0.02;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM415061;MM415061;CCC12CC1N=C(NO)N2;MSXFUPUXBLPMTB-UHFFFAOYSA-N;141.17;-0.15;;;;;DOPC;MDCG;27;1;"MARTINI bead: SC3_SP2";;;;;;;1.46;;-1.94;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM415062;MM415062;CC#CC1=CNC(=O)C1C;HLALGJKRQDDMRA-UHFFFAOYSA-N;135.17;0.66;;;;;DOPC;MDCG;27;0;"MARTINI bead: SN0_SP1";;;;;;;0.34;;-1.53;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM415063;MM415063;N=c1ncc(C=O)cn1O;DHJCNLONKUIGDQ-UHFFFAOYSA-N;139.11;-0.59;;;;;DOPC;MDCG;27;1;"MARTINI bead: SP1_SP2";;;;;;;-1.06;;-5.81;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM415064;MM415064;CC1(C#N)CC(C=O)N1;XFJGJNBFRBUJRW-UHFFFAOYSA-N;124.14;-0.17;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP1_SP2";;;;;;;-1.06;;-3.82;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM415065;MM415065;C=CCn1nnc(C=C)n1;ISYPNXVLAZAHCZ-UHFFFAOYSA-N;136.16;0.5;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP1_SP1";;;;;;;-0.79;;-3.13;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM415066;MM415066;COC(=NN)N(C)NC=N;RGAPWKRVNHPOHQ-UHFFFAOYSA-N;145.17;-1.09;;;;;DOPC;MDCG;27;1;"MARTINI bead: P2_P2";;;;;;;-1.34;;-6.16;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM415067;MM415067;CNC1=NC2CC2(CN)N1;BXHVFPVPRJXTMM-UHFFFAOYSA-N;140.19;-1.37;;;;;DOPC;MDCG;27;1;"MARTINI bead: SP1_SP2";;;;;;;-1.06;;-7.65;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM415068;MM415068;CC#CC1=CNC(=N)C1N;UMTHTSHALOVJLY-UHFFFAOYSA-N;135.17;-0.2;;;;;DOPC;MDCG;27;1;"MARTINI bead: SN0_SP3";;;;;;;-0.8;;-4.56;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM415069;MM415069;N#Cc1cnc(=N)n(O)c1;UFHDKYCDBKVXEY-UHFFFAOYSA-N;136.11;-0.53;;;;;DOPC;MDCG;27;1;"MARTINI bead: SP1_SP2";;;;;;;-1.06;;-5.29;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM415070;MM415070;C=CCn1nnc(C#N)n1;XCWPOKVREILGHC-UHFFFAOYSA-N;135.13;-0.27;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP1_SP1";;;;;;;-0.79;;-3.13;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM415071;MM415071;C#CC(=NC)NNCCN;NPFKXZOSXGQZQU-UHFFFAOYSA-N;140.19;-1.3;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1_P4";;;;;;;-2.01;;-6.42;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM415072;MM415072;COC(=NO)N(C)NC=O;YVYOWGWTUXSCFM-UHFFFAOYSA-N;147.13;-1.03;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_P2";;;;;;;-1.34;;-4.31;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM415073;MM415073;NCC12CC1N=C(NO)N2;NONQRRFWRBSBMS-UHFFFAOYSA-N;142.16;-1.61;;;;;DOPC;MDCG;27;1;"MARTINI bead: SNd_SP2";;;;;;;-0.24;;-4.92;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM415074;MM415074;CC#CC1=COC(=O)C1C;BKEXWDOUMUBUMW-UHFFFAOYSA-N;136.15;1.09;;;;;DOPC;MDCG;27;0;"MARTINI bead: SN0_SNa";;;;;;;1.17;;-1.18;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM415075;MM415075;N#CCOCCC(=O)O;FENBKNIWFMIVTF-UHFFFAOYSA-N;129.12;;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_P1";;;;;;;-0.79;;-8.14;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM415076;MM415076;N#CCn1nnc(C#N)n1;NPGBOKISWXPKON-UHFFFAOYSA-N;134.1;-0.93;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP2_SP1";;;;;;;-1.06;;-3.82;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM415077;MM415077;C=COC1=COC(=NN)C1;OHOFUAGTNLGGKF-UHFFFAOYSA-N;140.14;0.68;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNda_SNa";;;;;;;0.87;;-1.99;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM415078;MM415078;CCCC1C(C)C1(C)O;FWNXYZMCOYHHDC-UHFFFAOYSA-N;128.22;1.8;;;;;DOPC;MDCG;27;0;"MARTINI bead: C3_SNda";;;;;;;2.57;;0.44;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM415079;MM415079;CNC1=NC2CC2(CO)N1;NFWWQQKVBJPFLE-UHFFFAOYSA-N;141.17;-1.33;;;;;DOPC;MDCG;27;1;"MARTINI bead: SP1_SP2";;;;;;;-1.06;;-7.19;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM415080;MM415080;C=NN(C)C=NN=CCF;TZDJQKGNVNUFIU-UHFFFAOYSA-N;144.15;0.52;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_C5";;;;;;;0.54;;-1.09;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM415081;MM415081;C#CCC1C=CC(C=C)=C1;UUVWIUIHHYYNDU-UHFFFAOYSA-N;130.19;2.31;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC4_SC4";;;;;;;3.53;;0.53;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM415082;MM415082;C#CC(=NNCCN)NO;RJCOABZMVIGOHF-UHFFFAOYSA-N;142.16;-1.54;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1_P2";;;;;;;-1.06;;-5.14;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM415083;MM415083;O=c1cn[nH]c(=NO)o1;DCQBTKZNRYHHTO-UHFFFAOYSA-N;129.08;-1.35;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP3_SP3";;;;;;;-3.07;;-10.23;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM415084;MM415084;CC#CC1=CC(=NN)CC1;NHDKNEMPNZBKOF-UHFFFAOYSA-N;134.18;1.04;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC3_SNd";;;;;;;2.57;;0.53;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM415085;MM415085;CNC1=NC2CC2(CF)N1;OXZRCPKAZSGGAI-UHFFFAOYSA-N;143.17;-0.35;;;;;DOPC;MDCG;27;1;"MARTINI bead: SP1_SP1";;;;;;;-0.79;;-6.67;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM415086;MM415086;CC#CC1=NNC(=O)C1C;MKLSMXVUPGYXCD-UHFFFAOYSA-N;136.15;0.13;;;;;DOPC;MDCG;27;0;"MARTINI bead: SN0_SNda";;;;;;;1.17;;-1.13;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM415087;MM415087;C#CC(C)C(O)CCC;DEIAFGAJMBCTHL-UHFFFAOYSA-N;126.2;1.42;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda_C5";;;;;;;1.64;;0.05;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM415088;MM415088;C#CCn1ccc(C=C)c1;HSFIEUULVCQDFB-UHFFFAOYSA-N;131.18;1.76;;;;;DOPC;MDCG;27;0;"MARTINI bead: SN0_SC5";;;;;;;1.94;;0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM415089;MM415089;CCc1coc(NC=N)n1;INNBUDQOABOIKS-UHFFFAOYSA-N;139.16;1.26;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNa_SP1";;;;;;;0.04;;-2.54;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM415090;MM415090;Oc1cnnn1O;VEIINOXYHOGQGW-UHFFFAOYSA-N;101.07;-0.78;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP2_SP2";;;;;;;-1.34;;-9.16;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM415091;MM415091;NNC1=NC2CC2(CF)N1;FYPBJENWIUTSGX-UHFFFAOYSA-N;144.15;-1.11;;;;;DOPC;MDCG;27;1;"MARTINI bead: SP2_SP1";;;;;;;-1.06;;-6.61;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM415092;MM415092;CC#CC1=NOC(=O)C1C;PSLLVNAYGRFXNN-UHFFFAOYSA-N;137.14;0.56;;;;;DOPC;MDCG;27;0;"MARTINI bead: SN0_SP1";;;;;;;0.34;;-1.53;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM415093;MM415093;C#CC(=NC)NOCCN;SMDYWZVGCIEQTG-UHFFFAOYSA-N;141.17;-0.87;;;;;DOPC;MDCG;27;1;"MARTINI bead: N0_P3";;;;;;;-0.8;;-4.08;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM415094;MM415094;C#CCn1ccc(C=O)c1;PLGVJKUMVUANRG-UHFFFAOYSA-N;133.15;0.93;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNa_SC5";;;;;;;1.64;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM415095;MM415095;C=Cc1ccc(=O)n(C)n1;JXLLTLHNECWYRT-UHFFFAOYSA-N;136.15;0.42;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNa_SP2";;;;;;;-0.24;;-3.24;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM415096;MM415096;C#CCC(O)C(=CC)CN;USWUSEHGAJKHIV-UHFFFAOYSA-N;139.2;0.28;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_Nda";;;;;;;0.87;;-3.79;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM415097;MM415097;ONC1=NC2CC2(CF)N1;VAAJBQGICSUBRR-UHFFFAOYSA-N;145.14;-0.6;;;;;DOPC;MDCG;27;1;"MARTINI bead: SP2_SP1";;;;;;;-1.06;;-5.18;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM415098;MM415098;CCN=CNN=C(C)CF;QBZDZRGKAGPRBW-UHFFFAOYSA-N;145.18;0.97;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_C4";;;;;;;1.09;;-0.37;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM415099;MM415099;C=CC1=CC(C)C(O)C1;CNOCVCUEUKIXDK-UHFFFAOYSA-N;124.18;1.5;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC3_SNda";;;;;;;2.57;;0.44;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM415100;MM415100;C#CCn1ccc(C#N)c1;LUNATMWZLPZZKU-UHFFFAOYSA-N;130.15;0.99;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC5_SN0";;;;;;;1.94;;0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM415101;MM415101;C=Cc1ncc(=N)n(C)n1;FPGUITHQCCNUMH-UHFFFAOYSA-N;136.16;-0.06;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP1_SP3";;;;;;;-1.93;;-4.72;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM415102;MM415102;CCc1oc(=NN)oc1N;NWKHLPDNBXSXFV-UHFFFAOYSA-N;143.15;-0.21;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_SP2";;;;;;;0.54;;-1.09;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM415103;MM415103;CCC12CC1N=C(OC)N2;BULFPPDATCMGJA-UHFFFAOYSA-N;140.19;0.51;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC3_SP1";;;;;;;1.74;;0.31;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM415104;MM415104;CC#CC1=CCC(=N)N1C;OCDZYXUGMLDXBT-UHFFFAOYSA-N;134.18;1.21;;;;;DOPC;MDCG;27;1;"MARTINI bead: SC5_SP1";;;;;;;0.81;;-3.35;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM415105;MM415105;C#CC(=NOCCN)NO;PXRISVHCAXMWRQ-UHFFFAOYSA-N;143.15;-1.11;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1_P1";;;;;;;-0.79;;-4.49;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM415106;MM415106;C#CCn1cnc(C=C)c1;UUMPGUFOIYETSF-UHFFFAOYSA-N;132.17;1.16;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNa_SN0";;;;;;;1.17;;-1.18;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM415107;MM415107;NN(C=O)CC#CC(=O)O;WUCRPAFJGOTDQS-UHFFFAOYSA-N;142.11;-1.59;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_P1";;;;;;;-1.06;;-8.51;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM415108;MM415108;C=Cc1ncc(=N)n(N)n1;DEMBUKNBJPFPMV-UHFFFAOYSA-N;137.15;-0.89;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP1_SP3";;;;;;;-1.93;;-4.72;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM415109;MM415109;CCC1=CC2CC2(CC)O1;VDMCRWCGNHPACW-UHFFFAOYSA-N;138.21;2.48;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC5_SC5";;;;;;;2.41;;0.64;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM415110;MM415110;CC#CC1=CCC(=O)N1C;OEAHCYMIQAMXRK-UHFFFAOYSA-N;135.17;0.76;;;;;DOPC;MDCG;27;0;"MARTINI bead: SN0_SP1";;;;;;;0.34;;-1.53;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM415111;MM415111;Nc1nc(CF)nn1N;IVURYEFQOZZVLG-UHFFFAOYSA-N;131.11;-0.96;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP1_SP2";;;;;;;-1.06;;-3.82;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM415112;MM415112;C#CCC(C)C(=NO)NO;HZERMUYELROUEF-UHFFFAOYSA-N;142.16;0.41;;;;;DOPC;MDCG;27;0;"MARTINI bead: C3_P4";;;;;;;0.52;;-1.59;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM415113;MM415113;C#CCn1cnc(C=O)c1;VQHBLHYWTCMMPJ-UHFFFAOYSA-N;134.14;0.33;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP1_SN0";;;;;;;0.34;;-1.53;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM415114;MM415114;NN=c1on(N)c(=O)n1N;AHUYFUOMRWCVLN-UHFFFAOYSA-N;146.11;-3.56;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP3_SP3";;;;;;;-3.07;;-6.15;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM415115;MM415115;CCC12CC1C=C(CN)O2;LRTSTCLRBBBJJH-UHFFFAOYSA-N;139.2;1.03;;;;;DOPC;MDCG;27;1;"MARTINI bead: SC3_SP2";;;;;;;1.46;;-1.48;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM415117;MM415117;CC#CC1=CCC(=N)N1N;CIWGYZYSMDLILG-UHFFFAOYSA-N;135.17;0.45;;;;;DOPC;MDCG;27;1;"MARTINI bead: SN0_SP1";;;;;;;0.34;;-3.34;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM415116;MM415116;C#CC(=CC)OCCCC;DFABGPGHBCFOHO-UHFFFAOYSA-N;138.21;2.34;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1_Na";;;;;;;2.91;;0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM415118;MM415118;CNc1oc(=NN)oc1N;OOKQUZIUDOBJRT-UHFFFAOYSA-N;144.13;-0.73;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_SP2";;;;;;;-1.34;;-4.31;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM415119;MM415119;NN=c1on(N)c(N)c1F;MUVCNTGFFHKYGB-UHFFFAOYSA-N;147.11;-1.71;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP2_SNda";;;;;;;-0.24;;-3.31;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM415120;MM415120;C#CCn1cnc(C#N)c1;XPKSOOKBNJMOBR-UHFFFAOYSA-N;131.14;0.39;;;;;DOPC;MDCG;27;0;"MARTINI bead: SN0_SNa";;;;;;;1.17;;-1.18;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM415121;MM415121;CCC12CC1C=C(CO)O2;KVPLSNVPQITYLF-UHFFFAOYSA-N;140.18;1.06;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC3_SP1";;;;;;;1.74;;0.29;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM415122;MM415122;CC#CC1=CCC(=O)N1N;HZZKTYVZNQCPHL-UHFFFAOYSA-N;136.15;;;;;;DOPC;MDCG;27;0;"MARTINI bead: SN0_SP2";;;;;;;0.06;;-2.21;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM415123;MM415123;C#CC(=CC)OCCCN;CDRDJWLWPVEFBG-UHFFFAOYSA-N;139.2;0.89;;;;;DOPC;MDCG;27;1;"MARTINI bead: Na_Nd";;;;;;;0.87;;-4.61;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM415124;MM415124;C#CCC(O)C(=CC)OC;LAACDOPZTGYQED-UHFFFAOYSA-N;140.18;0.92;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda_N0";;;;;;;1.17;;-1.13;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM415125;MM415125;C=NN=CCC(CF)=NN;YGOKHBQDQBVYND-UHFFFAOYSA-N;144.15;0.35;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda_N0";;;;;;;1.17;;-1.13;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM415126;MM415126;C#CCn1cc(C=C)cn1;HBKNPERNGHGLTG-UHFFFAOYSA-N;132.17;1.16;;;;;DOPC;MDCG;27;0;"MARTINI bead: SN0_SNa";;;;;;;1.17;;-1.18;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM415127;MM415127;CCC12CC1C=C(CF)O2;XGXGJCGSXZQBBJ-UHFFFAOYSA-N;142.17;2.04;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC3_SNa";;;;;;;2.57;;0.45;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM415128;MM415128;C#CC(=CC)OCCCO;PXECERSLMKYGPR-UHFFFAOYSA-N;140.18;0.92;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_Nda";;;;;;;0.87;;-1.99;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM415129;MM415129;CC#Cc1c[nH]c(=O)n1C;NTAKABRDSXDLRD-UHFFFAOYSA-N;136.15;0.08;;;;;DOPC;MDCG;27;0;"MARTINI bead: SN0_SP2";;;;;;;0.06;;-2.21;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM415130;MM415130;C#CCN(C)C(CO)=NO;YRIWXWJHIIVQPY-UHFFFAOYSA-N;142.16;-0.67;;;;;DOPC;MDCG;27;0;"MARTINI bead: N0_P3";;;;;;;-0.8;;-2.99;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM415131;MM415131;C=Cc1cnc(=O)n(C)n1;YYGWGBYIENLTHF-UHFFFAOYSA-N;137.14;-0.18;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP1_SP2";;;;;;;-1.06;;-3.82;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM415132;MM415132;C#CCn1cc(C=O)cn1;RBXWPGLUEZWOMA-UHFFFAOYSA-N;134.14;0.33;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP1_SNa";;;;;;;0.04;;-2.54;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM415133;MM415133;CC#Cc1c[nH]c(=N)n1N;HSZXMWWELDJQJR-UHFFFAOYSA-N;136.16;-0.62;;;;;DOPC;MDCG;27;1;"MARTINI bead: SNd_SP2";;;;;;;-0.24;;-5.86;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM415134;MM415134;CCC1=CC2CC2(CN)O1;LIMMXFJVPQNEBO-UHFFFAOYSA-N;139.2;1.03;;;;;DOPC;MDCG;27;1;"MARTINI bead: SC5_SP1";;;;;;;0.81;;-2.58;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM415135;MM415135;C#CC(=CF)OCCCC;HCNFMUPAILPULS-UHFFFAOYSA-N;142.17;2.25;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1_Na";;;;;;;2.91;;0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM415136;MM415136;CCC12CCC(O)C1C2C;BQPGKEKYBVYHIS-UHFFFAOYSA-N;140.23;1.8;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC3_SNda";;;;;;;2.57;;0.44;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM415137;MM415137;Cn1nc(C=O)cnc1=O;YEYRYSXPIFWYTM-UHFFFAOYSA-N;139.11;-1.01;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP2_SP2";;;;;;;-1.34;;-4.31;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM415138;MM415138;C#CCn1cc(C#N)cn1;GSHWILDCNHDIQQ-UHFFFAOYSA-N;131.14;0.39;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNa_SP1";;;;;;;0.04;;-2.54;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM415139;MM415139;CC#Cc1c[nH]c(=O)n1N;ARRYUDUAMRKEGT-UHFFFAOYSA-N;137.14;-0.74;;;;;DOPC;MDCG;27;0;"MARTINI bead: SN0_SP3";;;;;;;-0.8;;-2.99;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM415140;MM415140;NCC1=CC2CC2(CN)O1;UMDODKMSXUEGJO-UHFFFAOYSA-N;140.19;-0.42;;;;;DOPC;MDCG;27;1;"MARTINI bead: SP2_SP1";;;;;;;-1.06;;-5.99;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM415141;MM415141;C#CC(=CF)OCCCO;YIDKDCHDQPGQMR-UHFFFAOYSA-N;144.15;0.83;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda_Na";;;;;;;0.87;;-1.99;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM415142;MM415142;C#CCN(N)C(CF)=NC;CCTOGVPDXRTPTO-UHFFFAOYSA-N;143.17;-0.21;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_N0";;;;;;;0.34;;-1.53;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM415143;MM415143;Cn1nc(C#N)cnc1=O;YLVPFHHSHKDAST-UHFFFAOYSA-N;136.11;-0.95;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP2_SP2";;;;;;;-1.34;;-4.31;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM415144;MM415144;C#CCn1cc(C=C)nn1;ZEIKEARVTJEGDP-UHFFFAOYSA-N;133.15;0.55;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP1_SP1";;;;;;;-0.79;;-3.13;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM415145;MM415145;CC#CC1=NCC(=O)N1C;VMJNDSWXYKHYAM-UHFFFAOYSA-N;136.15;-0.12;;;;;DOPC;MDCG;27;0;"MARTINI bead: SN0_SP2";;;;;;;0.06;;-2.21;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM415146;MM415146;C#CC(=CC)OCCNC;SYBOIFGZODGYPJ-UHFFFAOYSA-N;139.2;0.76;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_Na";;;;;;;0.87;;-4.19;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM415147;MM415147;NCC12CC1C=C(CO)O2;WZGAJFOUYLKMQO-UHFFFAOYSA-N;141.17;-0.39;;;;;DOPC;MDCG;27;1;"MARTINI bead: SNd_SP1";;;;;;;0.04;;-4.73;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM415148;MM415148;C=Cc1cnc(=O)n(N)n1;UVHRMWUNLIDESR-UHFFFAOYSA-N;138.13;-1;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP1_SP3";;;;;;;-1.93;;-4.72;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM415149;MM415149;C=CC(=CF)C1NC1C=O;WPQKSMQTRSSWJW-UHFFFAOYSA-N;141.15;0.57;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4_SP2";;;;;;;1.09;;-0.38;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM415150;MM415150;C#CCn1cc(C=O)nn1;QOFVMBOYDXESDV-UHFFFAOYSA-N;135.13;-0.28;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP1_SP1";;;;;;;-0.79;;-3.13;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM415151;MM415151;CCC(CC)ON=CCF;XWKZXEHIKFCHQZ-UHFFFAOYSA-N;147.19;2.15;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1_P1";;;;;;;2.08;;0.48;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM415152;MM415152;NCC12CC1C=C(CF)O2;NJYUGWDLKPXLAG-UHFFFAOYSA-N;143.16;0.59;;;;;DOPC;MDCG;27;1;"MARTINI bead: SNd_SNa";;;;;;;0.87;;-3.98;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM415153;MM415153;C#CC(=CC)OCCOC;LUVKSZJBFRSAGG-UHFFFAOYSA-N;140.18;1.19;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_Na";;;;;;;0.87;;-2.22;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM415154;MM415154;C=CC(=NNCCC)OC;RUUHGQMYFYKJMI-UHFFFAOYSA-N;142.2;1.13;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nd_Na";;;;;;;0.87;;-1.88;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM415155;MM415155;C#CCN(C)C(=NN)NN;OYMGTVDSFKSOKH-UHFFFAOYSA-N;141.18;-1.76;;;;;DOPC;MDCG;27;1;"MARTINI bead: N0_P4";;;;;;;-0.88;;-6.04;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM415156;MM415156;C#CCn1cc(C#N)nn1;UKMMFUNHQHNPHO-UHFFFAOYSA-N;132.13;-0.22;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP1_SP1";;;;;;;-0.79;;-3.13;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM415157;MM415157;CC#CC1=NCC(=O)N1N;LZXWDOOFYJSLEX-UHFFFAOYSA-N;137.14;-0.88;;;;;DOPC;MDCG;27;0;"MARTINI bead: SN0_SP3";;;;;;;-0.8;;-2.99;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM415158;MM415158;CCC1=CC2CC2(CO)O1;YFRIXIWMNRZTKO-UHFFFAOYSA-N;140.18;1.06;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC5_SNda";;;;;;;1.64;;0.05;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM415159;MM415159;C#CC(=CF)OCCOC;RVNSGRXHXKQADX-UHFFFAOYSA-N;144.15;1.09;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_Na";;;;;;;0.87;;-2.22;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM415160;MM415160;C=CC(C#N)=CNN=CC;WIZUMVBROMPHTB-UHFFFAOYSA-N;135.17;1.18;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nd_C5";;;;;;;1.64;;0.02;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM415161;MM415161;COC=NNC1C(C)C1C;VQOASCPHCCGCNB-UHFFFAOYSA-N;142.2;0.82;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_SC5";;;;;;;0.81;;-0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM415162;MM415162;C#CCn1ccc(C=C)n1;XVJNDSKUMFOLIX-UHFFFAOYSA-N;132.17;1.16;;;;;DOPC;MDCG;27;0;"MARTINI bead: SN0_SNa";;;;;;;1.17;;-1.18;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM415163;MM415163;CC#Cc1n[nH]c(=O)n1N;YGBVWRCAIFRHFD-UHFFFAOYSA-N;138.13;-1.34;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP1_SP4";;;;;;;-2.01;;-5.13;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM415164;MM415164;NCC1=CC2CC2(CO)O1;ZYDMKZHQMXKWOT-UHFFFAOYSA-N;141.17;-0.39;;;;;DOPC;MDCG;27;1;"MARTINI bead: SP2_SNda";;;;;;;-0.24;;-4.76;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM415165;MM415165;C#CC(=CC)OCOCC;JZMMTRWFEJPYGU-UHFFFAOYSA-N;140.18;1.53;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_Na";;;;;;;0.87;;-2.22;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM415166;MM415166;C#CCn1ccc(C=O)n1;YLUMQKWNPZCLGA-UHFFFAOYSA-N;134.14;0.33;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP1_SNa";;;;;;;0.04;;-2.54;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM415167;MM415167;C=Nn1[nH]cc(C#N)c1=O;JIOMUADHXRBLBS-UHFFFAOYSA-N;136.11;-0.49;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP2_SP1";;;;;;;-1.06;;-8.64;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM415168;MM415168;C#CCN(N)C(=NN)NN;MXQOSKUFTXXAJU-UHFFFAOYSA-N;142.17;-2.51;;;;;DOPC;MDCG;27;1;"MARTINI bead: P4_N0";;;;;;;-0.88;;-5.34;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM415169;MM415169;O=C(O)c1oc(=O)oc1O;SOTFLAKJBWDLGD-UHFFFAOYSA-N;146.05;-0.36;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_SP2";;;;;;;-1.06;;-9.05;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM415170;MM415170;OCC1=CC2CC2(CO)O1;LLVIMUQCEFPYFT-UHFFFAOYSA-N;142.15;-0.36;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP1_SNda";;;;;;;0.04;;-2.73;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM415171;MM415171;C#CC(=CF)OCOCC;UIONRFFPUDCVQI-UHFFFAOYSA-N;144.15;1.44;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_Na";;;;;;;0.87;;-2.22;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM415172;MM415172;Cn1oc(O)nc1=NN;UELAACSOZPYSGL-UHFFFAOYSA-N;130.11;-1.51;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP1_SP2";;;;;;;-1.06;;-8.64;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM415173;MM415173;C#CCn1ccc(C#N)n1;LIJWRPAVZJQGQW-UHFFFAOYSA-N;131.14;0.39;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNa_SP1";;;;;;;0.04;;-2.54;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM415174;MM415174;COC=NNCCCOC;ZHFPKIUUGCASIM-UHFFFAOYSA-N;146.19;0.2;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_P1";;;;;;;0.04;;-2.54;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM415175;MM415175;CC#Cc1noc(=N)n1C;BPNMVIHVSAGPPZ-UHFFFAOYSA-N;137.14;-0.14;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNa_SP3";;;;;;;-1.1;;-4.2;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM415176;MM415176;C=C(C)C(=O)C1NC1C;CABUKJZWNZPRQL-UHFFFAOYSA-N;125.17;0.49;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP1_Na";;;;;;;0.04;;-2.54;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM415177;MM415177;CCC1=CC2CC2(CF)O1;STEZDDDTCFYIII-UHFFFAOYSA-N;142.17;2.04;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC5_SNa";;;;;;;1.64;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM415178;MM415178;N=c1nc(N)nn[nH]c1=O;OVOXRGFNAGJPKW-UHFFFAOYSA-N;140.11;-2.38;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP4_SP5";;;;;;;-3.17;;-11.09;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM415179;MM415179;C#CCn1cnc(C=C)n1;BEJARJZRQDGNEG-UHFFFAOYSA-N;133.15;0.55;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNa_SNa";;;;;;;0.87;;-2.22;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM415180;MM415180;C#CCCOC=NNCC;OXSUUCAARGIVNS-UHFFFAOYSA-N;140.19;0.58;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nd_Na";;;;;;;0.87;;-1.88;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM415181;MM415181;CC#Cc1noc(=O)n1C;GCLSZIOHCYYTLM-UHFFFAOYSA-N;138.13;-0.26;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNa_SP2";;;;;;;-0.24;;-3.24;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM415182;MM415182;C#CC(=NO)OCCCC;MEDPKSDIKRTGDX-UHFFFAOYSA-N;141.17;1.22;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1_P2";;;;;;;1.8;;0.4;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM415183;MM415183;NCC1=CC2CC2(CF)O1;NZCTVIRURKJLKD-UHFFFAOYSA-N;143.16;0.59;;;;;DOPC;MDCG;27;1;"MARTINI bead: SP2_SNa";;;;;;;-0.24;;-4.68;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM415184;MM415184;C=Cc1nnc(=N)n(C)n1;OWGGZBBDJMBBIF-UHFFFAOYSA-N;137.15;-0.67;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP2_SP3";;;;;;;-2.2;;-5.19;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM415185;MM415185;C#CCn1cnc(C=O)n1;ROIBZSRSDFAHJC-UHFFFAOYSA-N;135.13;-0.28;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP2_SNa";;;;;;;-0.24;;-3.24;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM415186;MM415186;C#CCN(O)C(=NC)NC;OBODYESONIOFPU-UHFFFAOYSA-N;141.17;-0.48;;;;;DOPC;MDCG;27;1;"MARTINI bead: P2_N0";;;;;;;0.06;;-4.43;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM415187;MM415187;C=C1C(C#CC)=CCC1C;VXKUFFBQZDUBMK-UHFFFAOYSA-N;132.21;2.53;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC3_SC4";;;;;;;3.9;;0.47;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM415188;MM415188;C#CC(=NO)OCCCN;MIVYYURWJHLXAO-UHFFFAOYSA-N;142.16;-0.23;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_P2";;;;;;;-0.24;;-6.01;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM415189;MM415189;OCC1=CC2CC2(CF)O1;KVMRAUDXGHTHJO-UHFFFAOYSA-N;144.15;0.62;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP1_SNa";;;;;;;0.04;;-2.54;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM415190;MM415190;C#CCn1cnc(C#N)n1;AYQGLDKKLOELQK-UHFFFAOYSA-N;132.13;-0.22;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNa_SP1";;;;;;;0.04;;-2.54;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM415191;MM415191;CC=CCOC=NNCC;RWCSZKRXKJLUGV-UHFFFAOYSA-N;142.2;1.13;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nd_Na";;;;;;;0.87;;-1.88;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM415192;MM415192;Cn1nc(C=O)nnc1=N;XBBOTCHJZZUHBW-UHFFFAOYSA-N;139.12;-1.5;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP2_SP3";;;;;;;-2.2;;-5.19;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM415193;MM415193;C=C1C(C#CC)=CCC1N;AIHSYUCHKYCDLJ-UHFFFAOYSA-N;133.19;1.22;;;;;DOPC;MDCG;27;1;"MARTINI bead: SC3_SNd";;;;;;;2.57;;-1.12;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM415194;MM415194;C#CC(=NO)OCCCO;OFCVBCFJNCNQLT-UHFFFAOYSA-N;143.14;-0.19;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda_P2";;;;;;;-0.24;;-3.31;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM415195;MM415195;FCC1=CC2CC2(CF)O1;HVQRMIIZANEKKJ-UHFFFAOYSA-N;146.14;1.6;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNa_SNa";;;;;;;0.87;;-2.22;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM415196;MM415196;CCNN=COCC=NN;UZUBFGYEGVIVPE-UHFFFAOYSA-N;144.18;-0.5;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda_P1";;;;;;;0.04;;-2.73;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM415197;MM415197;Cn1nc(C#N)nnc1=N;SCMRKXSPURKTLF-UHFFFAOYSA-N;136.12;-1.44;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP2_SP3";;;;;;;-2.2;;-5.19;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM415198;MM415198;C#CCn1ncc(C=C)n1;DCXQWXQBILLZGQ-UHFFFAOYSA-N;133.15;0.55;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP1_SNa";;;;;;;0.04;;-2.54;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM415199;MM415199;CCC(CF)ON=CCF;BMTGVHKARXNLQO-UHFFFAOYSA-N;151.16;1.71;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4_P1";;;;;;;1.37;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM415200;MM415200;C#CC(=CC)CCCC=C;IIFSFYKTCGHWDG-UHFFFAOYSA-N;134.22;2.92;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4_C3";;;;;;;3.9;;0.47;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM415201;MM415201;C=Cc1nnc(=O)n(C)n1;MGIBSPOMDQZKGD-UHFFFAOYSA-N;138.13;-0.79;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP2_SP3";;;;;;;-2.2;;-5.19;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM415202;MM415202;C#CCN(O)C(=NO)NO;BWPOJWNZMVMATH-UHFFFAOYSA-N;145.12;-0.97;;;;;DOPC;MDCG;27;0;"MARTINI bead: P5_N0";;;;;;;-0.81;;-4.41;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM415203;MM415203;C#CCn1ncc(C=O)n1;OTZQVKBTPDZVGE-UHFFFAOYSA-N;135.13;-0.28;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP1_SNa";;;;;;;0.04;;-2.54;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM415204;MM415204;CCC1=CC2CC2(OC)O1;KEJZBWUXWJCPMH-UHFFFAOYSA-N;140.18;1.67;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC5_SNa";;;;;;;1.64;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM415205;MM415205;C=C1C(C#CC)=CCC1F;WGOAGGPFQJFRMX-UHFFFAOYSA-N;136.17;2.23;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC3_SC5";;;;;;;3.34;;0.48;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM415206;MM415206;C#CC(=CC)CCCC=O;VVWYOECPHZBYKK-UHFFFAOYSA-N;136.19;1.94;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4_Na";;;;;;;2.2;;0.34;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM415207;MM415207;Cn1nc(C=O)nnc1=O;WAWPZGKGPKZRFY-UHFFFAOYSA-N;140.1;-1.62;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP2_SP3";;;;;;;-2.2;;-5.19;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM415208;MM415208;C=CCC(C)(C)O;UYOPRNGQFQWYER-UHFFFAOYSA-N;100.16;1.33;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda_C4";;;;;;;2.2;;0.49;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM415209;MM415209;C#CCn1ncc(C#N)n1;OXHQTYLOETTWNU-UHFFFAOYSA-N;132.13;-0.22;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNa_SP1";;;;;;;0.04;;-2.54;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM415210;MM415210;COC12CC1C=C(CN)O2;PQDNENDJMLJNQR-UHFFFAOYSA-N;141.17;0.22;;;;;DOPC;MDCG;27;1;"MARTINI bead: SNa_SP2";;;;;;;-0.24;;-4.67;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM415211;MM415211;CC#CC1=CCC(O)C1=O;GQMHJQNKZKHGLF-UHFFFAOYSA-N;136.15;0.27;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNa_SNda";;;;;;;0.87;;-1.99;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM415212;MM415212;C#CC(=CC)CCCC#N;VKYOOTDISIOCEJ-UHFFFAOYSA-N;133.19;2.26;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4_P1";;;;;;;1.37;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM415213;MM415213;Cn1nc(C#N)nnc1=O;AGUKUQXLWRDQLP-UHFFFAOYSA-N;137.1;-1.56;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP2_SP3";;;;;;;-2.2;;-5.19;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM415214;MM415214;C#CCn1nnc(C=C)n1;SSFSCVWSWYPUEK-UHFFFAOYSA-N;134.14;-0.05;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP1_SP1";;;;;;;-0.79;;-3.13;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM415215;MM415215;C#CCN(O)C(=NO)OC;YNEQZCUWFNEWRY-UHFFFAOYSA-N;144.13;-0.3;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_N0";;;;;;;0.06;;-2.21;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM415216;MM415216;C=C1C(C#CC)=COC1C;RIZARNAQZDMUDB-UHFFFAOYSA-N;134.18;1.87;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC5_SNa";;;;;;;1.64;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM415217;MM415217;COC12CC1C=C(CO)O2;RHCDFLPEFXVTPB-UHFFFAOYSA-N;142.15;0.26;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNa_SP1";;;;;;;0.04;;-2.54;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM415218;MM415218;C#CC(=CF)CCCC=O;KXPHEGXIIINTJR-UHFFFAOYSA-N;140.16;1.84;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_Na";;;;;;;1.64;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM415219;MM415219;C=Cc1nnc(=N)n(N)n1;LETACWSJOQMDDK-UHFFFAOYSA-N;138.13;-1.49;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP2_SP3";;;;;;;-2.2;;-5.19;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM415220;MM415220;C=CC(=CC)C(C)CCN;NYSPNASCVOMAIP-UHFFFAOYSA-N;139.24;2.1;;;;;DOPC;MDCG;27;1;"MARTINI bead: C1_P1";;;;;;;2.08;;-1.16;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM415221;MM415221;C#CCn1nnc(C=O)n1;GHKKDWSRGWVMTO-UHFFFAOYSA-N;136.11;-0.88;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP1_SP1";;;;;;;-0.79;;-3.13;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM415222;MM415222;COC12CC1C=C(CF)O2;PUMHKXLUWKBGHW-UHFFFAOYSA-N;144.15;1.23;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNa_SNa";;;;;;;0.87;;-2.22;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM415223;MM415223;C=C1C(C#CC)=NNC1C;RPUVPUDPPZDZER-UHFFFAOYSA-N;134.18;0.91;;;;;DOPC;MDCG;27;0;"MARTINI bead: SN0_SP1";;;;;;;0.34;;-1.53;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM415224;MM415224;C=CC1=CCC(O)C1C;VUKMUVLGPTXJMC-UHFFFAOYSA-N;124.18;1.5;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNda_SC2";;;;;;;2.83;;0.57;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM415225;MM415225;C=Cc1nnc(=O)n(N)n1;DDXFFFHNLMVLEE-UHFFFAOYSA-N;139.12;-1.61;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP2_SP4";;;;;;;-2.29;;-5.95;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM415226;MM415226;CC=C(C=O)C(C)CCF;PKXSYRPCSIJHJJ-UHFFFAOYSA-N;144.19;2.13;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4_C5";;;;;;;2.97;;0.45;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM415227;MM415227;C#CCn1nnc(C#N)n1;XWYMWFOZXOTIMS-UHFFFAOYSA-N;133.11;-0.82;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP1_SP1";;;;;;;-0.79;;-3.13;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM415228;MM415228;CC#CC1=CCN(C)C1=N;PCVIKHGPUZUEAS-UHFFFAOYSA-N;134.18;0.86;;;;;DOPC;MDCG;27;1;"MARTINI bead: SN0_SP1";;;;;;;0.34;;-4.35;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM415229;MM415229;CCN(C=NN)C(C)=O;KSHUVNNFGXSLPN-UHFFFAOYSA-N;129.16;-0.24;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_P1";;;;;;;-0.79;;-3.13;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM415230;MM415230;C#CC(=CC)CCNN=C;YXYGQSRCLDCGBE-UHFFFAOYSA-N;136.2;1.16;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4_P2";;;;;;;1.09;;-0.38;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM415231;MM415231;C=CC1(C#N)CC1NN=C;LKGLRSSVBDSEHB-UHFFFAOYSA-N;135.17;0.66;;;;;DOPC;MDCG;27;0;"MARTINI bead: SN0_P2";;;;;;;0.06;;-2.21;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM415232;MM415232;C=CC(=CC)C(N)CCO;BDZDQPYURKKTNE-UHFFFAOYSA-N;141.21;0.83;;;;;DOPC;MDCG;27;1;"MARTINI bead: C5_P1";;;;;;;0.81;;-2.58;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM415233;MM415233;C#CC1=CC(CNC)C=C1;ULTNJKHWNMVRFM-UHFFFAOYSA-N;133.19;0.95;;;;;DOPC;MDCG;27;1;"MARTINI bead: SNd_SC5";;;;;;;1.64;;-2.97;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM415234;MM415234;CC#CC1=CCN(C)C1=O;ODTZUTSJXQZQLT-UHFFFAOYSA-N;135.17;0.41;;;;;DOPC;MDCG;27;0;"MARTINI bead: SN0_SP1";;;;;;;0.34;;-1.53;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM415235;MM415235;CC1C(=O)N(N)CC1F;DWXMLNVTABQKDJ-UHFFFAOYSA-N;132.14;-0.32;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP1_SP1";;;;;;;-0.79;;-3.13;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM415236;MM415236;C#CC(=CF)CCNN=C;BHOYAZHEUGLCOG-UHFFFAOYSA-N;140.16;1.07;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_P2";;;;;;;0.54;;-1.09;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM415237;MM415237;C#CC1=CC(NCC)C=C1;GCVIAUJIWCJSGR-UHFFFAOYSA-N;133.19;1.09;;;;;DOPC;MDCG;27;1;"MARTINI bead: SNd_SC5";;;;;;;1.64;;-1.48;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM415238;MM415238;C=CC(=CC)C(N)CCF;JDFBONAROOGTBF-UHFFFAOYSA-N;143.21;1.81;;;;;DOPC;MDCG;27;1;"MARTINI bead: C1_P1";;;;;;;2.08;;-0.78;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM415239;MM415239;C#CC12CC(C)C(=O)C1N2;SCAGUSQNFKYUIJ-UHFFFAOYSA-N;135.17;-0.06;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNd_SNa";;;;;;;0.87;;-1.88;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM415240;MM415240;NC(C(=O)O)C(F)(F)F;HMJQKIDUCWWIBW-UHFFFAOYSA-N;143.06;-0.04;;;;;DOPC;MDCG;27;0;"MARTINI bead: P4_N0";;;;;;;-0.88;;-7.43;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM415241;MM415241;CNC1=NC2CC2(CN)O1;JASYTJDQCCPUAI-UHFFFAOYSA-N;141.17;-0.94;;;;;DOPC;MDCG;27;1;"MARTINI bead: SP1_SP2";;;;;;;-1.06;;-5.28;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM415242;MM415242;C#CC(=CC)CCOC=C;IMOBWJHDZKPGRA-UHFFFAOYSA-N;136.19;2.12;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4_Na";;;;;;;2.2;;0.34;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM415243;MM415243;C#Cc1ccn(CCC)c1;VXQLNBGFUMWPNP-UHFFFAOYSA-N;133.19;1.88;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC4_SN0";;;;;;;2.5;;0.44;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM415244;MM415244;O=c1nn[nH]nc1CF;XKQYIODBQBPUHY-UHFFFAOYSA-N;130.08;-0.97;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP2_SP2";;;;;;;-1.34;;-9.59;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM415245;MM415245;NC=C(C=O)C(O)CCO;JZXAIODVSRMSPR-UHFFFAOYSA-N;145.16;-1.23;;;;;DOPC;MDCG;27;0;"MARTINI bead: P3_P1";;;;;;;-1.93;;-4.72;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM415246;MM415246;Cn1c(=O)cnoc1=NN;JIOJKISDMMOQSI-UHFFFAOYSA-N;142.12;-1.85;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP3_SP2";;;;;;;-2.2;;-5.19;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM415247;MM415247;NCC12CC1N=C(NO)O2;XSNZGMBGLRZWFQ-UHFFFAOYSA-N;143.15;-1.18;;;;;DOPC;MDCG;27;1;"MARTINI bead: SNd_SP2";;;;;;;-0.24;;-4.59;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM415248;MM415248;C#CC(=CC)CCOC=O;BRIRCZUQHNATBC-UHFFFAOYSA-N;138.17;1.13;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4_P1";;;;;;;1.37;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM415249;MM415249;C#Cc1ccn(NCC)c1;STAWTMLWGANXFZ-UHFFFAOYSA-N;134.18;1.03;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNd_SN0";;;;;;;1.17;;-1.04;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM415250;MM415250;CC#Cc1con(C)c1=O;YNWZDKOBBVYNPX-UHFFFAOYSA-N;137.14;0.35;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC5_SP2";;;;;;;0.54;;-1.09;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM415251;MM415251;N=CN(C=O)C(=O)C(=O)O;XXUAAICQYKBIGV-UHFFFAOYSA-N;144.09;-1.34;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_P2";;;;;;;-1.34;;-9.16;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM415252;MM415252;CC1(O)CC=CC1;JHWXOSAKBPNLCH-UHFFFAOYSA-N;98.15;1.09;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNda_SC5";;;;;;;1.64;;0.05;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM415253;MM415253;COc1nc(C)c(N)o1;LZIMKYLAIDHHOW-UHFFFAOYSA-N;128.13;0.57;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNa_SNd";;;;;;;0.87;;-1.88;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM415254;MM415254;C#CC(=CF)CCOC=C;KIYUYRJLJXTOKK-UHFFFAOYSA-N;140.16;2.02;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_Na";;;;;;;1.64;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM415255;MM415255;C#Cc1cn(CCC)cn1;OOOWNZCGWPJZKU-UHFFFAOYSA-N;134.18;1.27;;;;;DOPC;MDCG;27;0;"MARTINI bead: SN0_SNa";;;;;;;1.17;;-1.18;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM415256;MM415256;CC#Cc1con(N)c1=O;CRBJDJBLVWSINR-UHFFFAOYSA-N;138.13;-0.47;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC5_SP2";;;;;;;0.54;;-1.09;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM415257;MM415257;N#CC(O)(CF)CC(=O)O;CMJOQZJEUFWZGA-UHFFFAOYSA-N;147.11;-0.31;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_P2";;;;;;;-1.06;;-8.65;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM415258;MM415258;C=CC(=CF)C(F)CCN;VGKLWRXEAIRPIN-UHFFFAOYSA-N;147.17;1.71;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nda_Na";;;;;;;0.87;;-4.69;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM415259;MM415259;CCC12CC(CN)=CC1N2;ITYUCLHDJYCCBH-UHFFFAOYSA-N;138.21;0.4;;;;;DOPC;MDCG;27;1;"MARTINI bead: SNd_SNd";;;;;;;0.87;;-4.36;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM415260;MM415260;C#Cc1cn(NCC)cn1;WREJOKYEQQURIQ-UHFFFAOYSA-N;135.17;0.43;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP1_SNa";;;;;;;0.04;;-2.54;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM415261;MM415261;O=c1oc(=NO)[nH]nc1F;GOTLGCDFJPQCHM-UHFFFAOYSA-N;147.07;-1.21;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP3_SP2";;;;;;;-2.2;;-9.64;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM415262;MM415262;C#CC(=CF)CCOC=O;VXEFSHUKJLLUDV-UHFFFAOYSA-N;142.13;1.04;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_P1";;;;;;;0.81;;-0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM415263;MM415263;CNN(C=O)C(C)=NN;XKIULZJPZOCNQU-UHFFFAOYSA-N;130.15;-1.13;;;;;DOPC;MDCG;27;0;"MARTINI bead: P4_Nd";;;;;;;-1.19;;-4.91;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM415264;MM415264;C=CC(=CF)C(C)CNC;CBJJOMSAFXYXNC-UHFFFAOYSA-N;143.21;1.88;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1_C1";;;;;;;2.08;;-1.56;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM415265;MM415265;COC(C#N)C=CC(=O)O;UJHSENKDTPMXID-UHFFFAOYSA-N;141.13;0.17;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_P1";;;;;;;0.04;;-7.56;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM415266;MM415266;C#Cc1cnn(CCC)c1;IIIOFGJLACNCFE-UHFFFAOYSA-N;134.18;1.27;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC5_SP1";;;;;;;0.81;;-0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM415267;MM415267;C#CC(=CC)CCON=C;WXVZEPGLJULPTO-UHFFFAOYSA-N;137.18;1.59;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4_P1";;;;;;;1.37;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM415268;MM415268;CC=C(C#N)C(C)CNC;RRSMXMQBVBQIAM-UHFFFAOYSA-N;138.21;1.31;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1_C4";;;;;;;1.37;;-2.14;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM415269;MM415269;CC#Cc1non(C)c1=N;IETNSCDNOBSTPH-UHFFFAOYSA-N;137.14;-0.14;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNa_SP2";;;;;;;-0.24;;-3.24;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM415270;MM415270;C#Cc1ccc(=O)n(C)c1;ZOVMLANFQLKPSQ-UHFFFAOYSA-N;133.15;0.37;;;;;DOPC;MDCG;27;0;"MARTINI bead: SN0_SNa";;;;;;;1.17;;-1.18;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM415271;MM415271;CCC1=CC2NC2(CN)C1;TWPPYPCBGGGHBN-UHFFFAOYSA-N;138.21;0.4;;;;;DOPC;MDCG;27;1;"MARTINI bead: SC2_SP2";;;;;;;1.72;;-1.27;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM415272;MM415272;C#CC(=CF)CCON=C;YLNZIAWXJXAKPG-UHFFFAOYSA-N;141.15;1.5;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_P1";;;;;;;0.81;;-0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM415273;MM415273;C#Cc1cnn(NCC)c1;JBUASPSKSXHQGC-UHFFFAOYSA-N;135.17;0.43;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNda_SP1";;;;;;;0.04;;-2.73;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM415274;MM415274;CNCC(O)C(C#N)=CN;NWAVCDIJHYJNQL-UHFFFAOYSA-N;141.17;-1.07;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1_P2";;;;;;;-1.06;;-5.27;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM415275;MM415275;CC#Cc1non(N)c1=N;YWMCSIAAWGWDIC-UHFFFAOYSA-N;138.13;-0.96;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNa_SP3";;;;;;;-1.1;;-4.2;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM415276;MM415276;C#Cc1ccc(=N)n(N)c1;ATZPMJCCIRBIMZ-UHFFFAOYSA-N;133.15;-0.34;;;;;DOPC;MDCG;27;1;"MARTINI bead: SN0_SP1";;;;;;;0.34;;-4.24;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM415277;MM415277;NCC1=CC2NC2(CN)C1;KGCOPWZMVBHFLY-UHFFFAOYSA-N;139.2;-1.06;;;;;DOPC;MDCG;27;1;"MARTINI bead: SNd_SP2";;;;;;;-0.24;;-5.57;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM415278;MM415278;C#CC(CCCC=C)=NN;UITRWZKBEAJXKE-UHFFFAOYSA-N;136.2;1.29;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nd_C3";;;;;;;2.57;;0.53;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM415279;MM415279;C#Cc1cn(CCC)nn1;LYWAXUAFEXKJNT-UHFFFAOYSA-N;135.17;0.67;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNa_SP1";;;;;;;0.04;;-2.54;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM415280;MM415280;C=CC(=CF)C(F)CNC;ZKWFOLODBPOZEU-UHFFFAOYSA-N;147.17;1.58;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nda_Na";;;;;;;0.87;;-3.49;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM415281;MM415281;CC#Cc1non(O)c1=N;TXYQGHXMMJEHHQ-UHFFFAOYSA-N;139.11;-0.44;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNa_SP2";;;;;;;-0.24;;-3.24;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM415282;MM415282;C#Cc1cnc(=N)n(C)c1;NYAXBVZCPRGTDB-UHFFFAOYSA-N;133.15;-0.12;;;;;DOPC;MDCG;27;1;"MARTINI bead: SP1_SNda";;;;;;;0.04;;-7.49;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM415283;MM415283;NCC12CC(CO)=CC1N2;YRVYTXPYFFIUHD-UHFFFAOYSA-N;140.19;-1.02;;;;;DOPC;MDCG;27;1;"MARTINI bead: SP2_SNda";;;;;;;-0.24;;-5.27;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM415284;MM415284;C=Cc1c[nH]c(C)c1N;ASFHIAINRSLYQV-UHFFFAOYSA-N;122.17;1.55;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNd_SN0";;;;;;;1.17;;-1.04;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM415285;MM415285;C#Cc1ccn(CCC)n1;WIQFOLSKYVOALP-UHFFFAOYSA-N;134.18;1.27;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC5_SP1";;;;;;;0.81;;-0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM415286;MM415286;C=CC(=CC)C(C)COC;OZRWBUIHKSNGOK-UHFFFAOYSA-N;140.23;2.4;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_C1";;;;;;;2.08;;0.48;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM415287;MM415287;C#Cc1cnc(=O)n(C)c1;LPCLWZCXUJEVSW-UHFFFAOYSA-N;134.14;-0.24;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP1_SP1";;;;;;;-0.79;;-3.13;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM415288;MM415288;CC#Cc1non(C)c1=O;QHQJKSWRIJKYSW-UHFFFAOYSA-N;138.13;-0.26;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNa_SP2";;;;;;;-0.24;;-3.24;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM415289;MM415289;NCC12CC(CF)=CC1N2;KEIJTLWEOODZID-UHFFFAOYSA-N;142.18;-0.04;;;;;DOPC;MDCG;27;1;"MARTINI bead: SP2_SC5";;;;;;;0.54;;-3.04;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM415290;MM415290;C#CC(CCNC=O)=NO;VVFOSJQSDXDAAP-UHFFFAOYSA-N;140.14;-0.41;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda_P3";;;;;;;-1.1;;-3.97;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM415291;MM415291;C=CC(=NN)N(C)C=O;FKMKPHXNQADLOP-UHFFFAOYSA-N;127.15;-0.47;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_Nd";;;;;;;-0.24;;-3.16;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM415292;MM415292;C#Cc1ccn(NCC)n1;HFOAMLQKKCIKFZ-UHFFFAOYSA-N;135.17;0.43;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNda_SP1";;;;;;;0.04;;-2.73;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM415293;MM415293;C=CC(=CF)C(C)COC;YBWZTBOUJFOZFT-UHFFFAOYSA-N;144.19;2.31;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_C1";;;;;;;2.08;;0.48;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM415294;MM415294;CC#Cc1non(N)c1=O;QBPRMJUVYUGGGI-UHFFFAOYSA-N;139.11;-1.08;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNa_SP3";;;;;;;-1.1;;-4.2;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM415295;MM415295;C#Cc1cnc(=N)n(N)c1;GEVDNIFOSWWYGQ-UHFFFAOYSA-N;134.14;-0.94;;;;;DOPC;MDCG;27;1;"MARTINI bead: SP1_SP2";;;;;;;-1.06;;-6.57;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM415296;MM415296;C#CC(CCOC=C)=NN;NTEOYHWUIQLRNZ-UHFFFAOYSA-N;138.17;0.48;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nd_Na";;;;;;;0.87;;-1.88;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM415297;MM415297;CC=C(C#N)C(C)COC;WGWWAVRLARKHRD-UHFFFAOYSA-N;139.2;1.74;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_C4";;;;;;;1.37;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM415298;MM415298;NCC1=CC2NC2(CO)C1;UXVRARNBPLUDOV-UHFFFAOYSA-N;140.19;-1.02;;;;;DOPC;MDCG;27;1;"MARTINI bead: SNd_SP1";;;;;;;0.04;;-4.87;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM415299;MM415299;C#Cc1cnc(=O)n(N)c1;GOZLYQSCYNEAPJ-UHFFFAOYSA-N;135.13;-1.06;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP1_SP2";;;;;;;-1.06;;-3.82;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM415300;MM415300;C=C1CC=C(C#CC)C1=C;LSUUARZEGVCKFI-UHFFFAOYSA-N;130.19;2.45;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC3_SC5";;;;;;;3.34;;0.48;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM415301;MM415301;C#Cc1ncn(CCC)n1;UOMMFEQTBZQVHX-UHFFFAOYSA-N;135.17;0.67;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNa_SP1";;;;;;;0.04;;-2.54;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM415302;MM415302;C#CC(CCOC=C)=NO;QZKWZTVKYFXIDQ-UHFFFAOYSA-N;139.15;1;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda_Na";;;;;;;0.87;;-1.99;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM415303;MM415303;C#Cc1cnc(=N)n(O)c1;PWSCMONZAZJKEM-UHFFFAOYSA-N;135.13;-0.42;;;;;DOPC;MDCG;27;1;"MARTINI bead: SP1_SP2";;;;;;;-1.06;;-6.13;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM415304;MM415304;C#CC(C)(C)CC(C)(C)O;IJGOPYWTXUNFRI-UHFFFAOYSA-N;140.23;1.81;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda_C4";;;;;;;2.2;;0.49;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM415305;MM415305;CCOC(C)=NNC;NAQRPSTWLVAMSD-UHFFFAOYSA-N;116.16;0.58;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_P2";;;;;;;0.54;;-1.09;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM415306;MM415306;C=C1C(=O)CC=C1C#CC;UFNDZIKFZZTFQB-UHFFFAOYSA-N;132.16;1.47;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC3_SNa";;;;;;;2.57;;0.45;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM415307;MM415307;C#CC1=CC(CC=O)C=C1;MIICOQQIYDLYFD-UHFFFAOYSA-N;132.16;1.32;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNa_SC5";;;;;;;1.64;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM415308;MM415308;C#CC(CCON=C)=NO;ABCQZHNMLZKFOC-UHFFFAOYSA-N;140.14;0.47;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda_P1";;;;;;;0.04;;-2.73;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM415309;MM415309;OC=C1C=NN=N1;ACCNAWFPNGBRAC-UHFFFAOYSA-N;97.08;0.84;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP1_SP1";;;;;;;-0.79;;-8.15;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM415310;MM415310;COCC(O)C(C=O)=CF;VRHYEFZAAGPYKL-UHFFFAOYSA-N;148.13;0.05;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_Na";;;;;;;-0.24;;-3.24;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM415311;MM415311;C=C1CC=C(C#CC)C1=O;WDSCQHQRNOFYNR-UHFFFAOYSA-N;132.16;1.47;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNa_SC5";;;;;;;1.64;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM415312;MM415312;CN(C)CC(=O)ON=CN;AIOOLXILWGSAGM-UHFFFAOYSA-N;145.16;-1.01;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_P2";;;;;;;-1.06;;-3.82;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM415313;MM415313;C#CC1=CC(OC=C)C=C1;JNTDYIAVXNUJFR-UHFFFAOYSA-N;132.16;1.64;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC5_SC5";;;;;;;2.41;;0.64;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM415314;MM415314;C#CC(=CC)CNCC=C;AHFIZFUMMVXIEW-UHFFFAOYSA-N;135.21;1.34;;;;;DOPC;MDCG;27;1;"MARTINI bead: C4_P1";;;;;;;1.37;;-1.13;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM415315;MM415315;CC#CC1=CCC(=O)C1=O;WMVYNXZZCLIKQK-UHFFFAOYSA-N;134.13;0.48;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC3_SNa";;;;;;;2.57;;0.45;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM415316;MM415316;C#Cc1ncc(=N)n(C)n1;OOSBPNMUQHNQNS-UHFFFAOYSA-N;134.14;-0.72;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP2_SP3";;;;;;;-2.2;;-5.19;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM415317;MM415317;COCC(O)C(C#N)=CF;MLRZOXZHKSVFSN-UHFFFAOYSA-N;145.13;0.37;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_Na";;;;;;;-0.24;;-3.24;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM415318;MM415318;CCC1=CC2NC2(CF)C1;UVHCTORORCEDPF-UHFFFAOYSA-N;141.19;1.41;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC2_SNda";;;;;;;2.83;;0.57;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM415319;MM415319;COC(CN(C)C=O)=NN;WDLUAIUXBIIKBN-UHFFFAOYSA-N;145.16;-1.01;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_P2";;;;;;;-1.06;;-3.82;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM415320;MM415320;C#CC(=CF)CNNC=O;XDBKJVOCLMZOLP-UHFFFAOYSA-N;142.13;-0.28;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_P4";;;;;;;-0.41;;-2.78;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM415321;MM415321;C#Cc1ncc(=N)n(N)n1;SQMZJKOXLVKWHZ-UHFFFAOYSA-N;135.13;-1.55;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP2_SP3";;;;;;;-2.2;;-5.19;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM415322;MM415322;C=C1C(=O)NC=C1C#CC;FILDSSSJRUIUTR-UHFFFAOYSA-N;133.15;0.58;;;;;DOPC;MDCG;27;0;"MARTINI bead: SN0_SP1";;;;;;;0.34;;-1.53;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM415323;MM415323;CCC12CC(OC)=CC1N2;MTQAMYSZLATKCR-UHFFFAOYSA-N;139.2;1.04;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNd_SC5";;;;;;;1.64;;0.03;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM415324;MM415324;N#CC(=CN)CC(F)F;AVFPLYSCOUOZCY-UHFFFAOYSA-N;132.11;1.01;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_N0";;;;;;;0.34;;-1.53;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM415325;MM415325;C#Cc1ccn(CC=C)c1;BOWMEVNUDOWBHM-UHFFFAOYSA-N;131.18;1.66;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC5_SN0";;;;;;;1.94;;0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM415326;MM415326;C#Cc1cnc(=O)n(C)n1;WKHCOIJYHGZWFD-UHFFFAOYSA-N;135.13;-0.84;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP2_SP2";;;;;;;-1.34;;-4.31;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM415327;MM415327;C#CCN1CC1C(C)=O;UXCICASNYKXGTP-UHFFFAOYSA-N;123.16;-0.11;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_SNd";;;;;;;0.87;;-1.88;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM415328;MM415328;CC#CC1=CN=C(N)C1=O;NZOQIICDMMPYEE-UHFFFAOYSA-N;134.14;-0.17;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNa_SP1";;;;;;;0.04;;-2.54;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM415329;MM415329;C#Cc1ccn(CC#N)c1;BDSIMIROVZBYKS-UHFFFAOYSA-N;130.15;0.99;;;;;DOPC;MDCG;27;0;"MARTINI bead: SN0_SN0";;;;;;;1.47;;-0.05;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM415330;MM415330;COC1=CC2NC2(CN)C1;KATFCIHMTPJZJW-UHFFFAOYSA-N;140.19;-0.41;;;;;DOPC;MDCG;27;1;"MARTINI bead: SC5_SP2";;;;;;;0.54;;-3.04;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM415331;MM415331;C=CC(=NO)C(O)CCN;CSQWQSKTCFYXJT-UHFFFAOYSA-N;144.17;-0.29;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1_P1";;;;;;;-0.79;;-5.64;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM415332;MM415332;C#Cc1cnc(=N)n(N)n1;SZNPGPDKKTXXCD-UHFFFAOYSA-N;135.13;-1.55;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP2_SP3";;;;;;;-2.2;;-5.19;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM415333;MM415333;C#CC(CNCC#N)=NO;CWBMUZZBOACUTL-UHFFFAOYSA-N;137.14;-0.44;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda_P3";;;;;;;-1.1;;-3.97;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM415334;MM415334;CC#CC1=CNC(=O)C1=O;LCVCSSIJIPWUMG-UHFFFAOYSA-N;135.12;-0.41;;;;;DOPC;MDCG;27;0;"MARTINI bead: SN0_SP2";;;;;;;0.06;;-2.21;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM415335;MM415335;C#Cc1ccn(NC=N)c1;GXVKUIOGUAYDBL-UHFFFAOYSA-N;133.15;0.62;;;;;DOPC;MDCG;27;1;"MARTINI bead: SP1_SN0";;;;;;;0.34;;-3.33;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM415336;MM415336;CC(F)=CC(=O)ON=CN;OHCBEGBVIYHWRX-UHFFFAOYSA-N;146.12;0.3;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_P2";;;;;;;0.54;;-1.09;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM415337;MM415337;C=CC(=NO)C(O)CCO;PHEFLONMYVXTQF-UHFFFAOYSA-N;145.16;-0.25;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_P1";;;;;;;-0.79;;-3.13;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM415338;MM415338;C#Cc1cnc(=O)n(N)n1;QIBGZZABBLCPMM-UHFFFAOYSA-N;136.11;-1.67;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP2_SP3";;;;;;;-2.2;;-5.19;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM415339;MM415339;C#Cc1ccn(OC=C)c1;INQYVKYZTPFZIB-UHFFFAOYSA-N;133.15;1.04;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNa_SN0";;;;;;;1.17;;-1.18;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM415340;MM415340;C=C1C(=O)OC=C1C#CC;PCGDEDFFVOGBOU-UHFFFAOYSA-N;134.13;1.01;;;;;DOPC;MDCG;27;0;"MARTINI bead: SN0_SNa";;;;;;;1.17;;-1.18;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM415341;MM415341;C#CC(CNNC=N)=NN;HNRHNAXWJDMYTB-UHFFFAOYSA-N;139.16;-1.36;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_P4";;;;;;;-1.19;;-7.64;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM415342;MM415342;COC1=CC2NC2(CF)C1;IKCAGYLNSLCDPI-UHFFFAOYSA-N;143.16;0.6;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC5_SNda";;;;;;;1.64;;0.05;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM415343;MM415343;NC(=O)N(N)C=CC(=O)O;AGNHLPRMUOESBD-UHFFFAOYSA-N;145.12;-1.16;;;;;DOPC;MDCG;27;0;"MARTINI bead: P4_Nda";;;;;;;-1.19;;-8.47;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM415344;MM415344;C#CC1CN1C(C=O)CC;ULKVWRXSRKPSDL-UHFFFAOYSA-N;137.18;0.28;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_SP3";;;;;;;-1.93;;-4.72;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM415345;MM415345;C=C1OC=C(C#CC)C1=O;HLCIAMVNHOBCSQ-UHFFFAOYSA-N;134.13;1.01;;;;;DOPC;MDCG;27;0;"MARTINI bead: SN0_SNa";;;;;;;1.17;;-1.18;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM415346;MM415346;C#Cc1cn(CC=C)cn1;ACULUJJMKZAQSS-UHFFFAOYSA-N;132.17;1.05;;;;;DOPC;MDCG;27;0;"MARTINI bead: SN0_SNa";;;;;;;1.17;;-1.18;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM415347;MM415347;C=CC1(CO)CC=CC1;TVFRKRHKYQCATB-UHFFFAOYSA-N;124.18;1.5;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC5_SC5";;;;;;;2.41;;0.64;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM415348;MM415348;CCC1=CC2OC2(CC)C1;PDTBHHWBNANTIZ-UHFFFAOYSA-N;138.21;2.27;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC2_SC5";;;;;;;3.6;;0.34;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM415349;MM415349;CC1(C#N)CN1CC(=O)O;XBDLZQWPCJUQBI-UHFFFAOYSA-N;140.14;-0.33;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP1_P4";;;;;;;-2.01;;-9.05;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM415350;MM415350;NNC(=O)C=CC(=O)O;FOWAVPREFGTTQS-UHFFFAOYSA-N;130.1;-1.38;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_P1";;;;;;;-1.06;;-8.51;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM415351;MM415351;COC(CN(N)C=O)=NN;YLLNLRXKOTWFJS-UHFFFAOYSA-N;146.15;-1.76;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda_P4";;;;;;;-1.19;;-4.91;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM415352;MM415352;CC#CC1=COC(=O)C1=O;NIQBZSFXPBHURK-UHFFFAOYSA-N;136.11;0.02;;;;;DOPC;MDCG;27;0;"MARTINI bead: SN0_SP1";;;;;;;0.34;;-1.53;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM415353;MM415353;C#CC(CNNC=N)=NO;UCUIMTIPXVPFPO-UHFFFAOYSA-N;140.15;-0.85;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nda_P4";;;;;;;-1.19;;-7.61;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM415354;MM415354;CCC12CC(CN)=CC1O2;SDEJWJOIQAYXNZ-UHFFFAOYSA-N;139.2;0.82;;;;;DOPC;MDCG;27;1;"MARTINI bead: SC5_SNd";;;;;;;1.64;;-2.13;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM415355;MM415355;C=CC(=NO)C(O)CNC;GHJZVBIJWKBGGW-UHFFFAOYSA-N;144.17;-0.42;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1_P1";;;;;;;-0.79;;-5.42;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM415356;MM415356;C#Cc1nnc(=N)n(C)n1;VSXSCDUWKRHUTR-UHFFFAOYSA-N;135.13;-1.33;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP2_SP3";;;;;;;-2.2;;-5.19;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM415357;MM415357;C=CC(CC)ON=CCF;NIKYDTZHENXARU-UHFFFAOYSA-N;145.18;1.92;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1_P1";;;;;;;2.08;;0.48;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM415358;MM415358;C#CC(CNNC=O)=NO;CQEHVVFNYLMHQS-UHFFFAOYSA-N;141.13;-1.3;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda_P4";;;;;;;-1.19;;-4.91;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM415359;MM415359;C#Cc1cn(NC=N)cn1;XONTXBOYTDPPRG-UHFFFAOYSA-N;134.14;0.01;;;;;DOPC;MDCG;27;1;"MARTINI bead: SP2_SNa";;;;;;;-0.24;;-4.82;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM415360;MM415360;C=CC(=NO)C(C)COC;YEQGJMVBKFKGDF-UHFFFAOYSA-N;143.19;1.29;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_C5";;;;;;;0.81;;-0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM415361;MM415361;CCC12CC(CO)=CC1O2;JPYZCQHRVUVUCQ-UHFFFAOYSA-N;140.18;0.86;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC5_SNda";;;;;;;1.64;;0.05;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM415362;MM415362;C#Cc1nnc(=O)n(C)n1;LBHSKKAQHLYEMH-UHFFFAOYSA-N;136.11;-1.45;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP2_SP3";;;;;;;-2.2;;-5.19;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM415363;MM415363;C=C1C(=O)NN=C1C#CC;JUNVZZKWYZNUCT-UHFFFAOYSA-N;134.14;0.05;;;;;DOPC;MDCG;27;0;"MARTINI bead: SN0_SNda";;;;;;;1.17;;-1.13;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM415364;MM415364;C#CC(=CC)COCC=C;JKSBRQAVMOOQMY-UHFFFAOYSA-N;136.19;1.77;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4_Na";;;;;;;2.2;;0.34;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM415365;MM415365;C#Cc1cn(OC=C)cn1;YBBLJDVSTQZFAO-UHFFFAOYSA-N;134.14;0.44;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNa_SNa";;;;;;;0.87;;-2.22;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM415366;MM415366;CCC12CC(CF)=CC1O2;ODHDSDKPGULBJM-UHFFFAOYSA-N;142.17;1.83;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC5_SC5";;;;;;;2.41;;0.64;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM415367;MM415367;Cn1[nH]nnc1=O;AOKKGXXYBPBKDR-UHFFFAOYSA-N;100.08;-1.5;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP1_SP3";;;;;;;-1.93;;-8.95;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM415368;MM415368;C#Cc1nnc(=N)n(N)n1;FEULNDGRPUELGJ-UHFFFAOYSA-N;136.12;-2.15;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP2_SP3";;;;;;;-2.2;;-5.19;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM415369;MM415369;CC#CC1=NN=C(N)C1=O;PPDSCUHWGQBCHG-UHFFFAOYSA-N;135.13;-0.69;;;;;DOPC;MDCG;27;0;"MARTINI bead: SN0_SP1";;;;;;;0.34;;-1.53;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM415370;MM415370;C#CC(=CC)COCC=O;CPFAYOBPEUKDCG-UHFFFAOYSA-N;138.17;0.78;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4_P1";;;;;;;1.37;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM415371;MM415371;C#Cc1cnn(CC=C)c1;GAXKUUNYCOKBLJ-UHFFFAOYSA-N;132.17;1.05;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNa_SP1";;;;;;;0.04;;-2.54;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM415372;MM415372;C=CC(=CC)C(C)NCC;KJXZDVXQHHBZSY-UHFFFAOYSA-N;139.24;2.12;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_C1";;;;;;;2.91;;-0.3;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM415373;MM415373;CCC1=CC2OC2(CN)C1;NGGMIWNRCDVXBI-UHFFFAOYSA-N;139.2;0.82;;;;;DOPC;MDCG;27;1;"MARTINI bead: SC2_SP1";;;;;;;2;;-0.68;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM415374;MM415374;C#Cc1nnc(=O)n(N)n1;KJMOTYCFZXIQAJ-UHFFFAOYSA-N;137.1;-2.27;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP2_SP4";;;;;;;-2.29;;-5.95;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM415375;MM415375;CC#CC1=NNC(=O)C1=O;JJYPAFLUKKSETI-UHFFFAOYSA-N;136.11;-0.94;;;;;DOPC;MDCG;27;0;"MARTINI bead: SN0_SP1";;;;;;;0.34;;-1.53;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM415376;MM415376;C#CC(=CC)COCC#N;SRYZLIJJVLXNTE-UHFFFAOYSA-N;135.17;1.11;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4_P1";;;;;;;1.37;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM415377;MM415377;C#Cc1cnn(CC#N)c1;WLJDZQDNKLDSAC-UHFFFAOYSA-N;131.14;0.39;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP1_SNa";;;;;;;0.04;;-2.54;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM415378;MM415378;C=CC(=NO)C(C)NCC;GMJMEXLPENMAPA-UHFFFAOYSA-N;142.2;1;;;;;DOPC;MDCG;27;1;"MARTINI bead: C4_P3";;;;;;;0.23;;-2.3;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM415379;MM415379;NCC1=CC2OC2(CN)C1;ZIVWHVNRTPFAIK-UHFFFAOYSA-N;140.19;-0.63;;;;;DOPC;MDCG;27;1;"MARTINI bead: SNd_SP1";;;;;;;0.04;;-5.07;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM415380;MM415380;C#CCC1CC1(O)C1CC1;DZWGKVPDIJOMDP-UHFFFAOYSA-N;136.19;1.17;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNda_SC5";;;;;;;1.64;;0.05;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM415381;MM415381;C=C1C(=O)ON=C1C#CC;MJLHQFQTAFKMRX-UHFFFAOYSA-N;135.12;0.48;;;;;DOPC;MDCG;27;0;"MARTINI bead: SN0_SNa";;;;;;;1.17;;-1.18;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM415382;MM415382;C#CC(=CF)COCC=C;QZABLANDYVDMSR-UHFFFAOYSA-N;140.16;1.68;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_Na";;;;;;;1.64;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM415383;MM415383;C=CC(=CC)C(C)OCC;RWJVMOJIOSDQSR-UHFFFAOYSA-N;140.23;2.54;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_C1";;;;;;;3.68;;0.46;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM415384;MM415384;C#Cc1cnn(OC=C)c1;UODJIHQSCCCAMH-UHFFFAOYSA-N;134.14;0.44;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNa_SP1";;;;;;;0.04;;-2.54;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM415385;MM415385;NCC12CC(CO)=CC1O2;BXWOAOCZTJUVNP-UHFFFAOYSA-N;141.17;-0.59;;;;;DOPC;MDCG;27;1;"MARTINI bead: SP1_SNda";;;;;;;0.04;;-4.75;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM415386;MM415386;CC#CC1=NOC(=O)C1=O;JKDXKNYNDLAKJO-UHFFFAOYSA-N;137.09;-0.51;;;;;DOPC;MDCG;27;0;"MARTINI bead: SN0_SP1";;;;;;;0.34;;-1.53;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM415387;MM415387;COn1[nH]nc(F)c1=N;YDBBUXZLRPQALC-UHFFFAOYSA-N;132.1;-1.11;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP3_SP1";;;;;;;-1.93;;-9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM415388;MM415388;C#CC(=CF)COCC=O;NTOGETGATAUQGB-UHFFFAOYSA-N;142.13;0.69;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_P2";;;;;;;0.54;;-1.09;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM415389;MM415389;C#Cc1cn(CC=C)nn1;WJOUPNBQLIQNMR-UHFFFAOYSA-N;133.15;0.45;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNa_SP1";;;;;;;0.04;;-2.54;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM415390;MM415390;CCOC(C)C(C=O)=CN;UVBOGAUVUMXSLV-UHFFFAOYSA-N;143.19;0.45;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_P2";;;;;;;0.54;;-1.09;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM415391;MM415391;NCC12CC(CF)=CC1O2;PAORGQIFQLGBHN-UHFFFAOYSA-N;143.16;0.38;;;;;DOPC;MDCG;27;1;"MARTINI bead: SP1_SC5";;;;;;;0.81;;-2.51;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM415392;MM415392;CCCC1=CC=C(C)C1C;ZXMWPTVOAVEFMM-UHFFFAOYSA-N;136.24;3.31;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC1_SC4";;;;;;;4.24;;0.42;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM415393;MM415393;C=C1C=C(OC)C=CC1N;IARKVJWTVOLIRB-UHFFFAOYSA-N;137.18;0.97;;;;;DOPC;MDCG;27;1;"MARTINI bead: SC5_SNd";;;;;;;1.64;;-1.79;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM415394;MM415394;C#CC(=CF)COCC#N;IMTLQYUTWFMBOY-UHFFFAOYSA-N;139.13;1.01;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_P1";;;;;;;0.81;;-0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM415395;MM415395;C=CC(=NO)C(C)OCC;ADCPGKQHFSNYIH-UHFFFAOYSA-N;143.19;1.43;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_Nda";;;;;;;1.64;;0.05;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM415396;MM415396;C#Cc1cn(CC#N)nn1;OTZDDJDIUGWGCH-UHFFFAOYSA-N;132.13;-0.22;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP1_SP1";;;;;;;-0.79;;-3.13;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM415397;MM415397;CCC1=CC2OC2(CO)C1;KORDQQPZXPBHOW-UHFFFAOYSA-N;140.18;0.86;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC2_SP1";;;;;;;2;;0.29;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM415398;MM415398;CCCC1=CC=C(C)C1N;NWHVJDSQFUGLQH-UHFFFAOYSA-N;137.23;2;;;;;DOPC;MDCG;27;1;"MARTINI bead: SC1_SNd";;;;;;;2.91;;0.13;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM415399;MM415399;CCc1ccn(C)c(=N)c1;SAAWEAYAQGBYGU-UHFFFAOYSA-N;136.2;1.07;;;;;DOPC;MDCG;27;1;"MARTINI bead: SC5_SNd";;;;;;;1.64;;-5.7;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM415400;MM415400;C#CC(=CC)CONC=N;LAXFEWRAZTZWPO-UHFFFAOYSA-N;138.17;0.69;;;;;DOPC;MDCG;27;1;"MARTINI bead: C4_P3";;;;;;;0.23;;-2.77;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM415401;MM415401;N#CC(=NO)C(=O)C=O;OTLYBGCFAQVFHX-UHFFFAOYSA-N;126.07;-0.89;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_Na";;;;;;;-0.24;;-7.97;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM415402;MM415402;C#Cc1ccn(CC=C)n1;KYDPLQJXCAHSNU-UHFFFAOYSA-N;132.17;1.05;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNa_SP1";;;;;;;0.04;;-2.54;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM415403;MM415403;NCC1=CC2OC2(CO)C1;DJTYWKDYAZBHRI-UHFFFAOYSA-N;141.17;-0.59;;;;;DOPC;MDCG;27;1;"MARTINI bead: SNd_SP1";;;;;;;0.04;;-4.86;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM415404;MM415404;CCCc1ccc(F)n1C;BWVFFHABCUONEB-UHFFFAOYSA-N;141.19;2.12;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC4_SNa";;;;;;;2.2;;0.34;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM415405;MM415405;Cn1ccc(CN)cc1=N;SXAJUDZRLAJZKW-UHFFFAOYSA-N;137.19;-0.04;;;;;DOPC;MDCG;27;1;"MARTINI bead: SNd_SP1";;;;;;;0.04;;-8.07;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM415406;MM415406;C#CC(=CC)CONC=O;DOTXGTFXJURNLV-UHFFFAOYSA-N;139.15;0.24;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4_P4";;;;;;;0.15;;-2.18;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM415407;MM415407;CN(CCF)C(C=O)=NO;XXFZUXOTZPHEDO-UHFFFAOYSA-N;148.14;-0.13;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_Na";;;;;;;-0.24;;-3.24;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM415408;MM415408;C#Cc1ccn(CC#N)n1;RUFNGJWUKVLMCW-UHFFFAOYSA-N;131.14;0.39;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP1_SNa";;;;;;;0.04;;-2.54;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM415409;MM415409;OCC1=CC2OC2(CO)C1;OBJNFGDQANEVCJ-UHFFFAOYSA-N;142.15;-0.56;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNda_SP1";;;;;;;0.04;;-2.73;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM415410;MM415410;C=CCC1=CC=C(C)C1C;FARVJOBXLOTODG-UHFFFAOYSA-N;134.22;3.08;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC4_SC4";;;;;;;3.53;;0.53;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM415411;MM415411;C#CC(CONC=N)=NN;MKIUNQQAIDXUTE-UHFFFAOYSA-N;140.15;-0.94;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_P4";;;;;;;-1.19;;-6.59;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM415412;MM415412;Cn1ccc(CO)cc1=N;ZJGVCHVBYJOVGG-UHFFFAOYSA-N;138.17;;;;;;DOPC;MDCG;27;1;"MARTINI bead: SNd_SP1";;;;;;;0.04;;-8.01;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM415413;MM415413;CCCOC(C)=NNC;CUFLPNDJMQESJL-UHFFFAOYSA-N;130.19;0.97;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_Nd";;;;;;;0.87;;-1.88;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM415414;MM415414;C#Cc1ncn(CC=C)n1;FQQABBQHMDBJLK-UHFFFAOYSA-N;133.15;0.45;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNa_SP1";;;;;;;0.04;;-2.54;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM415415;MM415415;CC1=CC=C(CC#N)C1C;WHTGBEUTAGWXGV-UHFFFAOYSA-N;133.19;2.42;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC4_SN0";;;;;;;2.5;;0.44;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM415416;MM415416;OCC12CC(CF)=CC1O2;XWLJSJNOQPXDFR-UHFFFAOYSA-N;144.15;0.42;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP1_SC5";;;;;;;0.81;;-0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM415417;MM415417;Cn1ccc(CF)cc1=N;BIHMKZVIIJCMHO-UHFFFAOYSA-N;140.16;0.97;;;;;DOPC;MDCG;27;1;"MARTINI bead: SNd_SNa";;;;;;;0.87;;-7.45;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM415418;MM415418;C#CC(CONC=O)=NN;ZRGHDZLUANQMBS-UHFFFAOYSA-N;141.13;-1.39;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nd_P4";;;;;;;-1.19;;-4.91;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM415419;MM415419;C=COC(C)=NNCC;STELYYPHTUFNLT-UHFFFAOYSA-N;128.18;1.09;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_C5";;;;;;;0.81;;-0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM415420;MM415420;C#Cc1ncn(CC#N)n1;LIXVUAJKOHNODL-UHFFFAOYSA-N;132.13;-0.22;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP1_SP1";;;;;;;-0.79;;-3.13;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM415421;MM415421;CCC1=CC2OC2(CF)C1;SPHQZXYBNDSAFV-UHFFFAOYSA-N;142.17;1.83;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC2_SNa";;;;;;;2.83;;0.35;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM415422;MM415422;C=CCC1=CC=C(F)C1C;VIIPHEPKJPMVRV-UHFFFAOYSA-N;138.19;2.99;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC5_SC4";;;;;;;2.97;;0.45;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM415423;MM415423;CCc1ccn(N)c(=N)c1;MQKHWLZGWCTMTG-UHFFFAOYSA-N;137.19;0.24;;;;;DOPC;MDCG;27;1;"MARTINI bead: SC5_SP1";;;;;;;0.81;;-4.09;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM415424;MM415424;CCCNN=C(C)C#N;OWBASJSJNYHGMU-UHFFFAOYSA-N;125.18;0.89;;;;;DOPC;MDCG;27;0;"MARTINI bead: C3_P2";;;;;;;1.46;;-0.15;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM415425;MM415425;C#CC(=NC)NCCC=C;ZIRSLBJUNCLVQC-UHFFFAOYSA-N;136.2;0.81;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1_C3";;;;;;;1.74;;-1.65;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM415426;MM415426;OCC1=CC2OC2(CF)C1;WDSGDNCXHLHIOT-UHFFFAOYSA-N;144.15;0.42;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNda_SNa";;;;;;;0.87;;-1.99;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM415427;MM415427;C#Cc1cnn(CC=C)n1;WHHFMAZVIWZPRO-UHFFFAOYSA-N;133.15;0.45;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNa_SP1";;;;;;;0.04;;-2.54;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM415428;MM415428;C=CCC1=CC=C(C)C1N;AHLFCUUCSGGHPT-UHFFFAOYSA-N;135.21;1.78;;;;;DOPC;MDCG;27;1;"MARTINI bead: SNd_SC4";;;;;;;2.2;;-1.38;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM415429;MM415429;N=c1cc(CO)ccn1N;YUBVEVHHDPDCQV-UHFFFAOYSA-N;139.16;-0.83;;;;;DOPC;MDCG;27;1;"MARTINI bead: SP1_SP1";;;;;;;-0.79;;-6.5;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM415430;MM415430;CNC(=NC=N)OC=O;MTWJEHLSUWDTLB-UHFFFAOYSA-N;129.12;-0.66;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_P2";;;;;;;-1.06;;-3.82;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM415431;MM415431;C#CC(C#C)CC(C)(C)O;SQRKOSGCNOFNRM-UHFFFAOYSA-N;136.19;1.03;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda_C5";;;;;;;1.64;;0.05;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM415432;MM415432;C#Cc1cnn(CC#N)n1;DFXYTGXWXHCRJX-UHFFFAOYSA-N;132.13;-0.22;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP1_SP1";;;;;;;-0.79;;-3.13;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM415433;MM415433;FCC1=CC2OC2(CF)C1;DRJDQSKURCCKJK-UHFFFAOYSA-N;146.14;1.39;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC5_SNa";;;;;;;1.64;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM415434;MM415434;C#CCC1=CC=C(C)C1C;LTINDKKSCZTCFW-UHFFFAOYSA-N;132.21;2.53;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC4_SC4";;;;;;;3.53;;0.53;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM415435;MM415435;N=c1cc(CF)ccn1N;PDHDJBCJVCMHCG-UHFFFAOYSA-N;141.15;0.15;;;;;DOPC;MDCG;27;1;"MARTINI bead: SP1_SNa";;;;;;;0.04;;-5.84;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM415436;MM415436;C#CC(=NO)NNCC#N;GPCOZGBBLWCPCK-UHFFFAOYSA-N;138.13;-0.97;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_P1";;;;;;;-1.06;;-3.82;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM415437;MM415437;C#Cc1nnn(CC=C)n1;SRQVDPLALRRSQK-UHFFFAOYSA-N;134.14;-0.16;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP1_SP1";;;;;;;-0.79;;-3.13;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM415438;MM415438;C=CC(=NNC)OC=O;SNPQBLDZLXVNRG-UHFFFAOYSA-N;128.13;-0.12;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_N0";;;;;;;0.34;;-1.53;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM415439;MM415439;CCC12CC(OC)=CC1O2;SBUPSMNSAMPMDK-UHFFFAOYSA-N;140.18;1.47;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC5_SC5";;;;;;;2.41;;0.64;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM415440;MM415440;C#CCC1=CC=C(F)C1C;XWEXOAIPCPAHKW-UHFFFAOYSA-N;136.17;2.44;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC5_SC4";;;;;;;2.97;;0.45;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM415441;MM415441;CCc1ccn(O)c(=N)c1;NCTOBVQBURZLDN-UHFFFAOYSA-N;138.17;0.77;;;;;DOPC;MDCG;27;1;"MARTINI bead: SC5_SNda";;;;;;;1.64;;-3.09;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM415442;MM415442;C#CC(=CC)OCCC=C;IQDNHXWLQLOIQG-UHFFFAOYSA-N;136.19;2.12;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_C3";;;;;;;2.57;;0.45;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM415443;MM415443;O=CC(=NO)N(O)CCO;QPAQAZGJKLWEJL-UHFFFAOYSA-N;148.12;-1.34;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_P3";;;;;;;-1.93;;-4.72;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM415444;MM415444;C#Cc1nnn(CC#N)n1;YUOZEMKIWCUTCM-UHFFFAOYSA-N;133.11;-0.82;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP1_SP2";;;;;;;-1.06;;-3.82;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM415445;MM415445;COC1=CC2OC2(CN)C1;JJLRWDIPPNTLCW-UHFFFAOYSA-N;141.17;0.02;;;;;DOPC;MDCG;27;1;"MARTINI bead: SC5_SP1";;;;;;;0.81;;-2.51;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM415446;MM415446;C#CCC1=CC=C(C)C1N;LMJDZIMEYACMAU-UHFFFAOYSA-N;133.19;1.22;;;;;DOPC;MDCG;27;1;"MARTINI bead: SNd_SC4";;;;;;;2.2;;-1.36;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM415447;MM415447;N=c1cc(CN)ccn1O;HVYLOTSPKTYCLX-UHFFFAOYSA-N;139.16;-0.34;;;;;DOPC;MDCG;27;1;"MARTINI bead: SP1_SNda";;;;;;;0.04;;-5.79;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM415448;MM415448;C#CC(=CC)OCCC=O;GPWGQLYWIPYEBP-UHFFFAOYSA-N;138.17;1.13;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_Na";;;;;;;0.87;;-2.22;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM415449;MM415449;C#CCn1ccc(C#C)c1;FFLREAPBAVBSPR-UHFFFAOYSA-N;129.16;1.1;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC5_SN0";;;;;;;1.94;;0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM415450;MM415450;C=CCC(C)C(C=C)=CC;RZXVBLGTGHKZFA-UHFFFAOYSA-N;136.24;3.33;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1_C4";;;;;;;4.24;;0.42;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM415451;MM415451;COC1=CC2OC2(CO)C1;JCYDHPNHHOOPNU-UHFFFAOYSA-N;142.15;0.05;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC5_SP1";;;;;;;0.81;;-0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM415452;MM415452;C#CCC1=CC=C(C)C1O;RMZMRLUSTWLULH-UHFFFAOYSA-N;134.18;1.26;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNda_SC4";;;;;;;2.2;;0.49;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM415453;MM415453;N=c1cc(CO)ccn1O;RFPUMKZAMSLVEQ-UHFFFAOYSA-N;140.14;-0.3;;;;;DOPC;MDCG;27;1;"MARTINI bead: SP1_SNda";;;;;;;0.04;;-5.66;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM415454;MM415454;C#CC(=CC)OCCC#N;GLHAFWZUJHWDCB-UHFFFAOYSA-N;135.17;1.45;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4_P2";;;;;;;1.09;;-0.38;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM415455;MM415455;COC1=CC2OC2(CF)C1;XHLRSPVXNWKWND-UHFFFAOYSA-N;144.15;1.03;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC5_SNa";;;;;;;1.64;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM415456;MM415456;C=CC(=CC)C(C)CC=O;AQZIKWIFFCVUQM-UHFFFAOYSA-N;138.21;2.34;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1_Na";;;;;;;2.91;;0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM415457;MM415457;C#CCn1cnc(C#C)c1;QYKVXQWOYCUTTI-UHFFFAOYSA-N;130.15;0.5;;;;;DOPC;MDCG;27;0;"MARTINI bead: SN0_SNa";;;;;;;1.17;;-1.18;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM415458;MM415458;C#CCC1=NN=C(C)C1C;ORDHQKVWQCQMNJ-UHFFFAOYSA-N;134.18;1.48;;;;;DOPC;MDCG;27;0;"MARTINI bead: SN0_SN0";;;;;;;1.47;;-0.05;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM415459;MM415459;N=c1cc(CF)ccn1O;JCNYPLOLKDZYHG-UHFFFAOYSA-N;142.13;0.67;;;;;DOPC;MDCG;27;1;"MARTINI bead: SNda_SNa";;;;;;;0.87;;-4.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM415460;MM415460;CC=C(C#N)C(C)CC#N;BFHHWEWGEQAHLO-UHFFFAOYSA-N;134.18;2.01;;;;;DOPC;MDCG;27;0;"MARTINI bead: N0_N0";;;;;;;1.47;;-0.05;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM415461;MM415461;C=CC1=CC2CC2(CC)C1;RBRSWBGBQPZCTJ-UHFFFAOYSA-N;134.22;2.92;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC3_SC3";;;;;;;4.27;;0.2;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM415462;MM415462;C#CC(=CC)OCOC=C;CVIPMCWNQFZVIA-UHFFFAOYSA-N;138.17;1.66;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_Na";;;;;;;0.87;;-2.22;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM415463;MM415463;C#CCn1cc(C#C)cn1;RXYODAPVQYJHLJ-UHFFFAOYSA-N;130.15;0.5;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNa_SP1";;;;;;;0.04;;-2.54;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM415464;MM415464;C=C1C(C)=CC=C1CCC;PCPUGBYQZGAELT-UHFFFAOYSA-N;134.22;3.23;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC1_SC4";;;;;;;4.24;;0.42;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM415465;MM415465;CCc1ccn(C)c(=O)c1;SUXVWGINTAONRN-UHFFFAOYSA-N;137.18;0.95;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC5_SNa";;;;;;;1.64;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM415466;MM415466;CCC12CC(C=O)=CC1C2;GWAHDLNRKRFIQT-UHFFFAOYSA-N;136.19;1.93;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC3_SNa";;;;;;;2.57;;0.45;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM415468;MM415468;C#CC(=CF)OCOC=C;JUXGIORDRDYRIH-UHFFFAOYSA-N;142.13;1.56;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_Na";;;;;;;0.87;;-2.22;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM415467;MM415467;C#CCn1cc(C#C)nn1;OPKICOAEXHZPCB-UHFFFAOYSA-N;131.14;-0.11;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP1_SP1";;;;;;;-0.79;;-3.13;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM415469;MM415469;C=CCC(C)C(C=O)=CF;NCMOZHILRAXPSB-UHFFFAOYSA-N;142.17;2.25;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4_C5";;;;;;;2.97;;0.45;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM415470;MM415470;C=C1C(F)=CC=C1CCC;MKZUQLMRVZNYDH-UHFFFAOYSA-N;138.19;3.14;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC1_SC5";;;;;;;3.68;;0.46;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM415471;MM415471;Cn1ccc(CN)cc1=O;ATKAUYDNXOBHBV-UHFFFAOYSA-N;138.17;-0.16;;;;;DOPC;MDCG;27;1;"MARTINI bead: SNa_SP1";;;;;;;0.04;;-4.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM415472;MM415472;C#CC(=CF)OCOC=O;VDXVPWPHMWLWOK-UHFFFAOYSA-N;144.1;0.58;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_C5";;;;;;;0.54;;-1.09;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM415473;MM415473;C#CCn1ccc(C#C)n1;FNEHAGYGMUZKJK-UHFFFAOYSA-N;130.15;0.5;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNa_SP1";;;;;;;0.04;;-2.54;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM415474;MM415474;CCC12CC(C#N)=CC1C2;UDVVNYQXEBKSBV-UHFFFAOYSA-N;133.19;2.26;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC3_SN0";;;;;;;2.87;;0.37;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM415475;MM415475;CC(CC=O)C(C#N)=CF;RZAOXFHFJZOVPS-UHFFFAOYSA-N;141.15;1.59;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_C5";;;;;;;1.64;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM415476;MM415476;C=CCC1=CC=C(C)C1=C;GRUWHUWQXMWVAJ-UHFFFAOYSA-N;132.21;3.01;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC4_SC4";;;;;;;3.53;;0.53;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM415477;MM415477;Cn1ccc(CO)cc1=O;ZBAXPNQGKAJZAZ-UHFFFAOYSA-N;139.15;-0.12;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNa_SP1";;;;;;;0.04;;-2.54;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM415478;MM415478;C#CCn1cnc(C#C)n1;FKTADPIRULUOIB-UHFFFAOYSA-N;131.14;-0.11;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNa_SP1";;;;;;;0.04;;-2.54;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM415479;MM415479;C#CC(=CC)OCON=C;IOUSYITUGYYAEG-UHFFFAOYSA-N;139.15;1.13;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4_P1";;;;;;;1.37;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM415480;MM415480;C=CC1=CC2CC2(CN)C1;NXXFJPRZOLITOM-UHFFFAOYSA-N;135.21;1.47;;;;;DOPC;MDCG;27;1;"MARTINI bead: SNd_SC3";;;;;;;2.57;;-1.2;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM415481;MM415481;C#CCC1=CC=C(C)C1=C;HCVBCJMJMKYMGW-UHFFFAOYSA-N;130.19;2.45;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC5_SC4";;;;;;;2.97;;0.45;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM415482;MM415482;NN1CC(=CF)CC1=O;IABNWQFJPCKBPS-UHFFFAOYSA-N;130.12;-0.05;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP1_SP2";;;;;;;-1.06;;-3.82;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM415483;MM415483;Cn1ccc(CF)cc1=O;BBYSIKWDXNPKHP-UHFFFAOYSA-N;141.15;0.85;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNa_SNa";;;;;;;0.87;;-2.22;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM415484;MM415484;C#CCn1ncc(C#C)n1;MWMDOGLBWZRMKA-UHFFFAOYSA-N;131.14;-0.11;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNa_SP1";;;;;;;0.04;;-2.54;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM415485;MM415485;CC(=O)CN(C)CCC#N;BNASISZIWXRKDX-UHFFFAOYSA-N;140.19;0.42;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_Na";;;;;;;0.04;;-2.54;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM415486;MM415486;NN=CC(=O)OC=C(F)F;RVACZNWYXAKIDO-UHFFFAOYSA-N;150.08;0.21;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_N0";;;;;;;0.34;;-1.53;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM415487;MM415487;C#CCC1=CC=C(F)C1=C;OHNIDTICLBHBHK-UHFFFAOYSA-N;134.15;2.36;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC5_SC4";;;;;;;2.97;;0.45;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM415488;MM415488;NC=C(C=O)C(O)CC=O;LTNFMTCSSWXBTB-UHFFFAOYSA-N;143.14;-1.02;;;;;DOPC;MDCG;27;0;"MARTINI bead: P3_Na";;;;;;;-1.1;;-4.2;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM415489;MM415489;CCc1ccn(N)c(=O)c1;RGNNRASGJHLDKN-UHFFFAOYSA-N;138.17;0.12;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC5_SP1";;;;;;;0.81;;-0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM415490;MM415490;C#CCn1nnc(C#C)n1;DEZNANFBBCMXIV-UHFFFAOYSA-N;132.13;-0.71;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP1_SP1";;;;;;;-0.79;;-3.13;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM415491;MM415491;C#CC(=NO)OCCC=C;YQQORJTUCIAUTK-UHFFFAOYSA-N;139.15;1;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_C3";;;;;;;1.46;;-0.15;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM415492;MM415492;C#CCC1=CC=C(C)C1=O;BWKAGCWSRZEXGK-UHFFFAOYSA-N;132.16;1.47;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNa_SC4";;;;;;;2.2;;0.34;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM415493;MM415493;CN(C=O)OC(=O)C=NN;LBCRLNYUDHLEJV-UHFFFAOYSA-N;145.12;-1.52;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_P1";;;;;;;-1.06;;-3.82;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM415494;MM415494;CNn1onc(N)c1=O;HZKWDUSMLZRIOU-UHFFFAOYSA-N;130.11;-1.41;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP3_SP1";;;;;;;-1.93;;-4.72;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM415495;MM415495;CCC1=NN=C(NC)OC1;YNFVUQZXOGLWDY-UHFFFAOYSA-N;141.17;0.36;;;;;DOPC;MDCG;27;0;"MARTINI bead: SN0_SP1";;;;;;;0.34;;-1.53;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM415496;MM415496;CC=CC1C=CC(CC)=C1;STJYGPQPYLAVCJ-UHFFFAOYSA-N;134.22;3.08;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC3_SC3";;;;;;;4.27;;0.2;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM415497;MM415497;C#CC(=NO)OCCC=O;PLGMMJLIOYTZGO-UHFFFAOYSA-N;141.13;0.01;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_Na";;;;;;;-0.24;;-3.24;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM415498;MM415498;CC=C(C)OC(=O)C=NN;QKKMQDGHWXVNNE-UHFFFAOYSA-N;142.16;0.4;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4_P1";;;;;;;1.37;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM415499;MM415499;Nn1ccc(CF)cc1=O;UMLGOYUEQZPQCP-UHFFFAOYSA-N;142.13;0.03;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP1_SNa";;;;;;;0.04;;-2.54;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM415500;MM415500;C=CC12CC(=O)C(=C)C1N2;CAPIYKCQEKVGRN-UHFFFAOYSA-N;135.17;0.41;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNd_SNa";;;;;;;0.87;;-1.88;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM415501;MM415501;C#Cc1[nH]cc(N)c1N;RSHDSROOKPQABQ-UHFFFAOYSA-N;121.14;0.16;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNd_SP1";;;;;;;0.04;;-2.63;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM415502;MM415502;CC=CC1C=CC(OC)=C1;BKUYWWAMJNBJMZ-UHFFFAOYSA-N;136.19;2.28;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNa_SC3";;;;;;;2.57;;0.45;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM415503;MM415503;C#CC(=NO)OCON=C;TWDLTWHARRRMHI-UHFFFAOYSA-N;142.11;0.01;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda_P1";;;;;;;0.04;;-2.73;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM415504;MM415504;NC=C(C=O)C(F)CC=O;IVDDFTVDMMMIOJ-UHFFFAOYSA-N;145.13;-0.05;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_Na";;;;;;;0.04;;-2.54;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM415505;MM415505;CNc1ccn(C)c(=N)c1;RZQJOGAVNQLASU-UHFFFAOYSA-N;137.19;0.55;;;;;DOPC;MDCG;27;1;"MARTINI bead: SNd_SNd";;;;;;;0.87;;-7.77;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM415506;MM415506;N#CC1=CC2CC2(CF)C1;DBQNTBRIZXLLID-UHFFFAOYSA-N;137.16;1.82;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC5_SN0";;;;;;;1.94;;0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM415507;MM415507;CN1C(C#N)=NCC1C#N;VAZUOOZQIQQUHI-UHFFFAOYSA-N;134.14;-0.25;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP1_SP1";;;;;;;-0.79;;-3.13;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM415508;MM415508;C#CCCCC(C#C)=CC;JRYKWJCCMOHQKE-UHFFFAOYSA-N;132.21;2.37;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4_C5";;;;;;;2.97;;0.45;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM415509;MM415509;CC=Cn1ccc(CC)c1;PQRUQXRMXJZFDW-UHFFFAOYSA-N;135.21;2.54;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC5_SC4";;;;;;;2.97;;0.45;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM415510;MM415510;C#CCC1=NN=C(C)C1=C;PUVQARFUHKCZLK-UHFFFAOYSA-N;132.17;1.4;;;;;DOPC;MDCG;27;0;"MARTINI bead: SN0_SN0";;;;;;;1.47;;-0.05;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM415511;MM415511;C=CC1=CC2CC2(NC)C1;IKUOXQKZNGSNLI-UHFFFAOYSA-N;135.21;1.48;;;;;DOPC;MDCG;27;1;"MARTINI bead: SNd_SC3";;;;;;;2.57;;-1.4;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM415512;MM415512;CNc1ccn(N)c(=N)c1;ICLYHGJHSZNLLP-UHFFFAOYSA-N;138.17;-0.28;;;;;DOPC;MDCG;27;1;"MARTINI bead: SNd_SP1";;;;;;;0.04;;-6.14;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM415513;MM415513;N#Cc1noc(F)c1O;DHNOMWMGNVQNMY-UHFFFAOYSA-N;128.06;0.39;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNda_SNa";;;;;;;0.87;;-6.87;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM415514;MM415514;C#CCCCC(C#C)=CF;NHZXEMKOHFZACO-UHFFFAOYSA-N;136.17;2.28;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_C5";;;;;;;2.41;;0.64;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM415515;MM415515;CC=Cn1ccc(CN)c1;XYYZKQUYMOVVHR-UHFFFAOYSA-N;136.2;1.44;;;;;DOPC;MDCG;27;1;"MARTINI bead: SC4_SP1";;;;;;;1.37;;-1.79;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM415516;MM415516;CNC12CC(C=O)=CC1C2;QPFZBLNGTLRZCB-UHFFFAOYSA-N;137.18;0.49;;;;;DOPC;MDCG;27;1;"MARTINI bead: SNd_SNa";;;;;;;0.87;;-4.26;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM415517;MM415517;CNc1ccn(O)c(=N)c1;HNWCHHUNKGAHSY-UHFFFAOYSA-N;139.16;0.25;;;;;DOPC;MDCG;27;1;"MARTINI bead: SNd_SNda";;;;;;;0.87;;-5.02;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM415518;MM415518;CC=CC1=CC=C(C)C1C;XCKQOURJVJULDO-UHFFFAOYSA-N;134.22;3.08;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC3_SC4";;;;;;;3.9;;0.47;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM415519;MM415519;C=NNC(=O)C(=O)O;CGCYSTMIPKPPCQ-UHFFFAOYSA-N;116.08;-1.2;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_P2";;;;;;;-1.06;;-8.51;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM415520;MM415520;CC=Cn1ccc(CO)c1;SWRYJNLPRQBOIT-UHFFFAOYSA-N;137.18;1.47;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC4_SNda";;;;;;;2.2;;0.49;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM415521;MM415521;C#CCCCC(C#C)=NN;FGTBADRJGNIMKD-UHFFFAOYSA-N;134.18;0.74;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nd_C5";;;;;;;1.64;;0.02;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM415522;MM415522;CNc1ccn(N)c(=O)c1;JWENRIAFDPHYLH-UHFFFAOYSA-N;139.16;-0.4;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNd_SP1";;;;;;;0.04;;-2.63;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM415523;MM415523;CC=CC1=CC=C(F)C1C;MIPJWHAUKGJFBY-UHFFFAOYSA-N;138.19;2.99;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC3_SC5";;;;;;;3.34;;0.48;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM415524;MM415524;CNC12CC(C#N)=CC1C2;XYVXJDPQRFFMDB-UHFFFAOYSA-N;134.18;0.82;;;;;DOPC;MDCG;27;1;"MARTINI bead: SNd_SN0";;;;;;;1.17;;-2.71;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM415525;MM415525;CN(O)C=NC(=N)C(=O)O;QOIPMMZZEAVKKY-UHFFFAOYSA-N;145.12;-0.6;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_P2";;;;;;;-1.34;;-9.02;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM415526;MM415526;CC=Cn1ccc(CF)c1;FEMXGNZRQQSZFF-UHFFFAOYSA-N;139.17;2.45;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC4_SNa";;;;;;;2.2;;0.34;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM415527;MM415527;C#CCCCC(C#C)=NO;ARLMMBZHIYMTTK-UHFFFAOYSA-N;135.17;1.25;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda_C5";;;;;;;1.64;;0.05;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM415528;MM415528;COc1ccn(C)c(=N)c1;CULMHCWVLQEGSP-UHFFFAOYSA-N;138.17;0.51;;;;;DOPC;MDCG;27;1;"MARTINI bead: SNa_SNd";;;;;;;0.87;;-6.56;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM415529;MM415529;CC=CC1=CC=C(C)C1N;KZTDVAIWAFBOAC-UHFFFAOYSA-N;135.21;1.78;;;;;DOPC;MDCG;27;1;"MARTINI bead: SC3_SNd";;;;;;;2.57;;-0.65;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM415530;MM415530;Nc1nn[nH]c(=O)c(=O)n1;QRYLDPOCYNWBJH-UHFFFAOYSA-N;141.09;-2.5;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP4_SP4";;;;;;;-3.24;;-11.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM415531;MM415531;C=CC1=CC2CC2(OC)C1;LHPQBIWJDXEZCF-UHFFFAOYSA-N;136.19;1.91;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNa_SC3";;;;;;;2.57;;0.45;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM415532;MM415532;CCc1ccn(C=NC)c1;SSXYXIWALOOEMC-UHFFFAOYSA-N;136.2;1.56;;;;;DOPC;MDCG;27;1;"MARTINI bead: SC5_SN0";;;;;;;1.94;;-1.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM415533;MM415533;C#CCNCC(C#C)=NN;FISRMVBMNSIPME-UHFFFAOYSA-N;135.17;-0.84;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nd_P2";;;;;;;-0.24;;-3.16;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM415534;MM415534;COc1ccn(N)c(=N)c1;PXTUXCWCSCSRRR-UHFFFAOYSA-N;139.16;-0.31;;;;;DOPC;MDCG;27;1;"MARTINI bead: SNa_SP1";;;;;;;0.04;;-4.84;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM415535;MM415535;CC=Cc1ccc(O)n1C;RCLVOBSPQHPCKR-UHFFFAOYSA-N;137.18;1.76;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC5_SNda";;;;;;;1.64;;0.05;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM415536;MM415536;COC(=CNC=O)C(=O)O;FIUZUJUXFVQSPC-UHFFFAOYSA-N;145.11;-0.7;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda_P3";;;;;;;-1.1;;-8.32;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM415537;MM415537;COC12CC(C=O)=CC1C2;KBOFKJUAIZHEEY-UHFFFAOYSA-N;138.17;0.92;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNa_SNa";;;;;;;0.87;;-2.22;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM415538;MM415538;CN=Cn1ccc(CN)c1;VGOFZNBELNBZLH-UHFFFAOYSA-N;137.19;0.45;;;;;DOPC;MDCG;27;1;"MARTINI bead: SN0_SP1";;;;;;;0.34;;-3.84;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM415539;MM415539;C#CCOCC(C#C)=CC;MAHPWDRLGCGITQ-UHFFFAOYSA-N;134.18;1.22;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4_Na";;;;;;;2.2;;0.34;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM415540;MM415540;CC=Cc1ccc(F)n1C;ULJPRXJFAFGVSG-UHFFFAOYSA-N;139.17;2.2;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC5_SNa";;;;;;;1.64;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM415541;MM415541;COc1ccn(O)c(=N)c1;ROEKOHIHEOSESX-UHFFFAOYSA-N;140.14;0.21;;;;;DOPC;MDCG;27;1;"MARTINI bead: SNa_SNda";;;;;;;0.87;;-3.87;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM415542;MM415542;C=CC(=CC)C(C)NC=N;ZPJAUZZGDBQDTJ-UHFFFAOYSA-N;138.21;1.7;;;;;DOPC;MDCG;27;1;"MARTINI bead: C1_P2";;;;;;;1.8;;-2.51;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM415543;MM415543;COC12CC(C#N)=CC1C2;XODMNVAOVSRXDI-UHFFFAOYSA-N;135.17;1.25;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNa_SN0";;;;;;;1.17;;-1.18;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM415544;MM415544;C#CCOCC(C#C)=CF;RFLDSOWFNMRUPB-UHFFFAOYSA-N;138.14;1.12;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_Na";;;;;;;1.64;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM415545;MM415545;CN=Cn1ccc(CO)c1;COFNNZLLMIUYBA-UHFFFAOYSA-N;138.17;0.49;;;;;DOPC;MDCG;27;1;"MARTINI bead: SN0_SNda";;;;;;;1.17;;-3.15;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM415546;MM415546;CC=Cc1ccc(O)n1N;NELNHUYBVCHBIF-UHFFFAOYSA-N;138.17;0.94;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC5_SNda";;;;;;;1.64;;0.05;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM415547;MM415547;COc1ccn(C)c(=O)c1;AHWLNNONMGZYNN-UHFFFAOYSA-N;139.15;0.39;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNa_SNa";;;;;;;0.87;;-2.22;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM415548;MM415548;C=NNC=C(C#N)CC;REIUAUZKQWCITC-UHFFFAOYSA-N;123.16;1.01;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_P1";;;;;;;0.81;;-0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM415549;MM415549;C=CC1=NC2CC2(CC)N1;UFBIETAYHJLLLO-UHFFFAOYSA-N;136.2;1.1;;;;;DOPC;MDCG;27;1;"MARTINI bead: SC3_SNd";;;;;;;2.57;;-0.69;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM415550;MM415550;C#CCCNC(C#C)=NC;TXTGZJYFUWKZDK-UHFFFAOYSA-N;134.18;0.26;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1_C5";;;;;;;0.81;;-2.63;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM415551;MM415551;CN=Cn1ccc(CF)c1;YHGMSHAUWCDVRA-UHFFFAOYSA-N;140.16;1.46;;;;;DOPC;MDCG;27;1;"MARTINI bead: SN0_SNa";;;;;;;1.17;;-3.12;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM415552;MM415552;CC=Cc1ccc(F)n1N;FAKAYOHJCSBLAT-UHFFFAOYSA-N;140.16;1.37;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC5_SNda";;;;;;;1.64;;0.05;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM415553;MM415553;COc1ccn(N)c(=O)c1;CEOAWRGUIKGSSC-UHFFFAOYSA-N;140.14;-0.43;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNa_SP1";;;;;;;0.04;;-2.54;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM415554;MM415554;C=C(C)CN(C=O)C=NN;UWVTXBVICJIWKH-UHFFFAOYSA-N;141.17;-0.08;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4_P5";;;;;;;0.22;;-2.65;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM415555;MM415555;CC=C(C=O)C(C)NC=O;NAXNCDBYCQHQIQ-UHFFFAOYSA-N;141.17;0.27;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4_P3";;;;;;;0.23;;-1.03;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM415556;MM415556;CCCCC1(C)CC1(C)O;YJBZVCYBYLJHRZ-UHFFFAOYSA-N;142.24;2.34;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1_SNda";;;;;;;2.91;;0.57;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM415557;MM415557;CC=Cn1ccc(NC)c1;INGOOBZCPSVNCZ-UHFFFAOYSA-N;136.2;2.02;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNd_SC4";;;;;;;2.2;;0.32;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM415558;MM415558;CCc1cc(=N)n(C)cn1;QUIBKTUVKKPAQQ-UHFFFAOYSA-N;137.19;0.46;;;;;DOPC;MDCG;27;1;"MARTINI bead: SNa_SP3";;;;;;;-1.1;;-6.96;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM415559;MM415559;C=C1C(C)=CC=C1C=CC;HHDLQOYAKPDXJA-UHFFFAOYSA-N;132.21;3.01;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC3_SC4";;;;;;;3.9;;0.47;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM415560;MM415560;CC(NC=N)C(C#N)=CN;BACKZYSDTYVGOR-UHFFFAOYSA-N;138.17;-0.06;;;;;DOPC;MDCG;27;1;"MARTINI bead: P2_P1";;;;;;;-1.06;;-7.21;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM415561;MM415561;C=C(F)CN(C=O)C=NN;OBSOYMLAPYOVDT-UHFFFAOYSA-N;145.14;-0.17;;;;;DOPC;MDCG;27;0;"MARTINI bead: P5_C5";;;;;;;-0.34;;-3.42;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM415562;MM415562;C#CCCOC(C#C)=CC;FKQPFUNLJJIZNL-UHFFFAOYSA-N;134.18;1.56;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_C5";;;;;;;1.64;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM415563;MM415563;CN=Cn1ccc(NC)c1;MMUQNJUUXPFHSE-UHFFFAOYSA-N;137.19;1.04;;;;;DOPC;MDCG;27;1;"MARTINI bead: SNd_SN0";;;;;;;1.17;;-5.48;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM415564;MM415564;C=C1C(F)=CC=C1C=CC;XUBNXKHWARSNJH-UHFFFAOYSA-N;136.17;2.91;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC3_SC5";;;;;;;3.34;;0.48;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM415565;MM415565;CCc1cc(=O)n(C)cn1;PMZVYXCADQHEIZ-UHFFFAOYSA-N;138.17;0.34;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNa_SP2";;;;;;;-0.24;;-3.24;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM415566;MM415566;CC(NC=O)C(C=O)=CN;AHRKNYPQEHCXGT-UHFFFAOYSA-N;142.16;-0.84;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_P2";;;;;;;-1.06;;-3.82;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM415567;MM415567;C=CC1=NC2CC2(CN)N1;YJOHTQMKCXOIRS-UHFFFAOYSA-N;137.19;-0.36;;;;;DOPC;MDCG;27;1;"MARTINI bead: SNd_SNd";;;;;;;0.87;;-3.78;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM415568;MM415568;C#CCCOC(C#C)=CF;FQJFFUFWAAQHEX-UHFFFAOYSA-N;138.14;1.47;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_C5";;;;;;;1.64;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM415569;MM415569;CC=CC1=CC=C(F)C1=O;WNUAJIJDQCDSPF-UHFFFAOYSA-N;138.14;1.93;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC3_SNa";;;;;;;2.57;;0.45;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM415570;MM415570;CC=Cn1ccc(OC)c1;DJTRCNLIEOEVTR-UHFFFAOYSA-N;137.18;1.99;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNa_SC4";;;;;;;2.2;;0.34;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM415571;MM415571;Cn1cnc(CN)cc1=O;IZXGJKXFLWDVJO-UHFFFAOYSA-N;139.16;-0.76;;;;;DOPC;MDCG;27;1;"MARTINI bead: SP2_SP2";;;;;;;-1.34;;-5.55;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM415572;MM415572;CNc1coc(=NN)o1;KQPNSACITMVMCR-UHFFFAOYSA-N;129.12;-0.31;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_SP2";;;;;;;-1.34;;-4.31;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM415573;MM415573;C=CC1=NC2CC2(CO)N1;AVNZVCZWCVOQJA-UHFFFAOYSA-N;138.17;-0.32;;;;;DOPC;MDCG;27;1;"MARTINI bead: SNda_SNd";;;;;;;0.87;;-3.26;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM415574;MM415574;CCC(O)CC(C)C(C)C;GKAJMEXXSFHBOD-UHFFFAOYSA-N;144.26;2.44;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda_C1";;;;;;;2.91;;0.57;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM415575;MM415575;CC=CC1=NC=C(F)C1=O;YOURRIWHFLZORN-UHFFFAOYSA-N;139.13;1.4;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC4_SNa";;;;;;;2.2;;0.34;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM415576;MM415576;CC=Nn1ccc(CC)c1;HIJSTOJEQSEFJM-UHFFFAOYSA-N;136.2;1.9;;;;;DOPC;MDCG;27;1;"MARTINI bead: SC5_SC5";;;;;;;2.41;;0.45;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM415577;MM415577;C=CC1=NNC(CF)=NC1;XXYDAKAZPSYWNQ-UHFFFAOYSA-N;141.15;0.5;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNda_SP1";;;;;;;0.04;;-2.73;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM415578;MM415578;CC(NC=O)C(C=O)=CF;LZSCBOGMEKRPOW-UHFFFAOYSA-N;145.13;0.17;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda_P2";;;;;;;-0.24;;-3.31;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM415579;MM415579;CC(=O)OC(=CNN)N=N;RAXUMLFUPURJHU-UHFFFAOYSA-N;144.13;-0.16;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_P4";;;;;;;-1.19;;-4.76;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM415580;MM415580;C#CCCOC(C#C)=NO;WQNWDAZGNQNNGX-UHFFFAOYSA-N;137.14;0.45;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_C5";;;;;;;0.54;;-1.09;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM415581;MM415581;CC#CC1=CC=C(C)C1C;QYUNWFTVXKIDEL-UHFFFAOYSA-N;132.21;2.53;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC3_SC5";;;;;;;3.34;;0.48;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM415582;MM415582;Cn1cnc(CF)cc1=O;MHOUPLWBHJKJFB-UHFFFAOYSA-N;142.13;0.25;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP2_SNa";;;;;;;-0.24;;-3.24;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM415583;MM415583;CC=Nn1ccc(CN)c1;WHJWFOLJMWUGPO-UHFFFAOYSA-N;137.19;0.8;;;;;DOPC;MDCG;27;1;"MARTINI bead: SC5_SP1";;;;;;;0.81;;-2.37;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM415584;MM415584;FCC(F)C=NN1CC1;YNPQRNWUOWHRQX-UHFFFAOYSA-N;134.13;0.6;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_SP3";;;;;;;-1.1;;-4.2;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM415585;MM415585;C=CC1=NC2CC2(CF)N1;SQOWXTAPPOKYQX-UHFFFAOYSA-N;140.16;0.65;;;;;DOPC;MDCG;27;1;"MARTINI bead: SC5_SNd";;;;;;;1.64;;-1.1;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM415586;MM415586;CC=CCCC(=CC)CC;GFCMSLPNOWYOQZ-UHFFFAOYSA-N;138.25;3.7;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1_C2";;;;;;;4.87;;0.53;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM415587;MM415587;CC#CC1=CC=C(F)C1C;KVYFILKIPNHQNM-UHFFFAOYSA-N;136.17;2.44;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC4_SC5";;;;;;;2.97;;0.45;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM415588;MM415588;CCc1cc(=O)n(N)cn1;IDRMQAGYKJNVTG-UHFFFAOYSA-N;139.16;-0.48;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNa_SP3";;;;;;;-1.1;;-4.2;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM415589;MM415589;CC=Nn1ccc(CO)c1;QZUNVJLBQBJARO-UHFFFAOYSA-N;138.17;0.83;;;;;DOPC;MDCG;27;1;"MARTINI bead: SC5_SNda";;;;;;;1.64;;-1.27;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM415590;MM415590;C=NNC(C)C(C=O)=CN;BGDQIINNTIKWFY-UHFFFAOYSA-N;141.17;-0.38;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nd_P2";;;;;;;-0.24;;-3.16;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM415591;MM415591;C#CC1(CC(C)=O)CN1C;OGJGJRPIBYEMPQ-UHFFFAOYSA-N;137.18;0.28;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP1_P1";;;;;;;-0.79;;-3.13;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM415592;MM415592;CC=C(CC)CCC=CF;CAMOBRCYEPIOPO-UHFFFAOYSA-N;142.22;3.61;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1_C4";;;;;;;4.24;;0.42;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM415593;MM415593;CC#CC1=CC=C(C)C1N;ULIHJWICNZWJJC-UHFFFAOYSA-N;133.19;1.22;;;;;DOPC;MDCG;27;1;"MARTINI bead: SNd_SC5";;;;;;;1.64;;-1.39;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM415594;MM415594;CC1CC(C)(O)C1C;PMUSSJDRPWPURM-UHFFFAOYSA-N;114.19;1.41;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC4_SNda";;;;;;;2.2;;0.49;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM415595;MM415595;CC=Nn1ccc(CF)c1;NUUPPPFNUDTWDC-UHFFFAOYSA-N;140.16;1.81;;;;;DOPC;MDCG;27;1;"MARTINI bead: SC5_SNa";;;;;;;1.64;;-1.33;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM415596;MM415596;C=CC1=CC2CC2(CC)O1;PLDSBQOZKBLKGW-UHFFFAOYSA-N;136.19;2.26;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC3_SNa";;;;;;;2.57;;0.45;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM415597;MM415597;C=COC(C)C(C=O)=CC;OFCONOMWJICIME-UHFFFAOYSA-N;140.18;1.68;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_C5";;;;;;;1.64;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM415598;MM415598;CCC(=CF)CCC=CF;PEMLXVKLQGBLTL-UHFFFAOYSA-N;146.18;3.51;;;;;DOPC;MDCG;27;0;"MARTINI bead: C2_C4";;;;;;;4.16;;0.44;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM415599;MM415599;CC#CC1=CC=C(C)C1O;ZZZUOHDREPGKSJ-UHFFFAOYSA-N;134.18;1.26;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNda_SC5";;;;;;;1.64;;0.05;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM415600;MM415600;CC=Nn1ccc(NC)c1;AFFZFCAIFTXEEM-UHFFFAOYSA-N;137.19;1.38;;;;;DOPC;MDCG;27;1;"MARTINI bead: SNd_SC5";;;;;;;1.64;;-1.98;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM415601;MM415601;Nn1cnc(CF)cc1=O;YIOKZJKWEHYKJA-UHFFFAOYSA-N;143.12;-0.57;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP3_SNa";;;;;;;-1.1;;-4.2;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM415602;MM415602;CCC12CC1C=C(C=O)O2;DCONSZJQWLSRTA-UHFFFAOYSA-N;138.17;1.27;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC3_SNa";;;;;;;2.57;;0.45;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM415603;MM415603;C=COC(C)C(C#N)=CN;HTMYYDKSOFPEIS-UHFFFAOYSA-N;138.17;0.9;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_P1";;;;;;;0.81;;-0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM415604;MM415604;CC=CCCC(=CC)CN;YQQPFEQBMJXRKC-UHFFFAOYSA-N;139.24;2.25;;;;;DOPC;MDCG;27;1;"MARTINI bead: C2_Nd";;;;;;;2.83;;-0.24;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM415605;MM415605;CC#CC1=NN=C(C)C1C;QDNPZSNTMQSJNS-UHFFFAOYSA-N;134.18;1.48;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC5_SN0";;;;;;;1.94;;0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM415606;MM415606;CC=Nn1ccc(OC)c1;BFIZKGHFJACRJA-UHFFFAOYSA-N;138.17;1.35;;;;;DOPC;MDCG;27;1;"MARTINI bead: SNa_SC5";;;;;;;1.64;;-1.53;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM415607;MM415607;CNc1cc(=N)n(C)cn1;LOOIXTNRTINSEU-UHFFFAOYSA-N;138.17;-0.06;;;;;DOPC;MDCG;27;1;"MARTINI bead: SNda_SP3";;;;;;;-1.1;;-6.66;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM415608;MM415608;CCC12CC1C=C(C#N)O2;LZPNKFROVSJIIY-UHFFFAOYSA-N;135.17;1.59;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC3_SNa";;;;;;;2.57;;0.45;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM415609;MM415609;CC(OC=O)C(C#N)=CF;KFNYVSGOCAPTSI-UHFFFAOYSA-N;143.12;0.92;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_Na";;;;;;;0.87;;-2.22;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM415610;MM415610;CC=C(CN)CCC=CF;OUTZEMWKAHRKJR-UHFFFAOYSA-N;143.21;2.15;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_C4";;;;;;;2.2;;-1.67;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM415611;MM415611;CC#Cc1ccc(C)n1C;ODQWYQODCQJAQB-UHFFFAOYSA-N;133.19;1.7;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC4_SN0";;;;;;;2.5;;0.44;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM415612;MM415612;CC=Cn1cnc(CC)c1;IIBVGEXRVJCJFQ-UHFFFAOYSA-N;136.2;1.94;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNa_SN0";;;;;;;1.17;;-1.17;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM415613;MM415613;C=CC(=CC)C(C)ON=C;XGJKNHGMFBOXBU-UHFFFAOYSA-N;139.2;2.14;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1_Na";;;;;;;2.91;;0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM415614;MM415614;COC(=N)N=C(N)C(=O)O;KXCJVUBUNHEQSP-UHFFFAOYSA-N;145.12;-0.99;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_P1";;;;;;;-1.06;;-8.65;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM415615;MM415615;C=CC1=CC2CC2(CN)O1;DAEJMDXSKPWUCB-UHFFFAOYSA-N;137.18;0.8;;;;;DOPC;MDCG;27;1;"MARTINI bead: SNd_SNa";;;;;;;0.87;;-3.98;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM415616;MM415616;CC=CCCC(=CF)CN;PESUFZDZFASNKP-UHFFFAOYSA-N;143.21;2.15;;;;;DOPC;MDCG;27;1;"MARTINI bead: C2_P1";;;;;;;2;;-0.81;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM415617;MM415617;CC#Cc1ccc(N)n1C;DICAZLWKXNLITI-UHFFFAOYSA-N;134.18;0.98;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC5_SNd";;;;;;;1.64;;0.02;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM415618;MM415618;C=NN(C)CC(=NN)OC;XSMCRELEKPYTCP-UHFFFAOYSA-N;144.18;-0.55;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda_P2";;;;;;;-0.24;;-3.31;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM415619;MM415619;COc1cc(=N)n(C)cn1;NDHGSWJNRYOTJX-UHFFFAOYSA-N;139.16;-0.09;;;;;DOPC;MDCG;27;1;"MARTINI bead: SNa_SP3";;;;;;;-1.1;;-5.68;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM415620;MM415620;C=NOC(C)C(C=O)=CC;UQNQYPMFBHQSEQ-UHFFFAOYSA-N;141.17;1.15;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_Na";;;;;;;0.87;;-2.22;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM415621;MM415621;C=CC1=CC2CC2(CO)O1;GPTNJRLGMVQMOE-UHFFFAOYSA-N;138.17;0.84;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNda_SNa";;;;;;;0.87;;-1.99;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM415622;MM415622;CC1(O)CCC(CC#N)C1;ISYDCEYUTPXZMT-UHFFFAOYSA-N;139.2;1.45;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNda_SC4";;;;;;;2.2;;0.49;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM415623;MM415623;CC#Cc1ccc(O)n1C;KFCQVJNTDANBPT-UHFFFAOYSA-N;135.17;1.1;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC5_SNda";;;;;;;1.64;;0.05;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM415624;MM415624;CC=Cn1cnc(CF)c1;IQSGEUXZICPHGA-UHFFFAOYSA-N;140.16;1.84;;;;;DOPC;MDCG;27;0;"MARTINI bead: SN0_SNa";;;;;;;1.17;;-1.18;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM415625;MM415625;C=NOC(C)C(C#N)=CC;LLDULCATAAVZGQ-UHFFFAOYSA-N;138.17;1.48;;;;;DOPC;MDCG;27;0;"MARTINI bead: N0_Na";;;;;;;1.17;;-1.18;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM415626;MM415626;CC1=CCC(C)(O)C1;IVESMYKLLYHSNQ-UHFFFAOYSA-N;112.17;1.48;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC4_SNda";;;;;;;2.2;;0.49;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM415627;MM415627;CCCC(O)CCC(C)C;KJMBBHZOLRRVMV-UHFFFAOYSA-N;144.26;2.58;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda_C1";;;;;;;2.91;;0.57;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM415628;MM415628;O=CC1=CC2CC2(CO)O1;CMSOOSVHXILBEO-UHFFFAOYSA-N;140.14;-0.15;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNda_SNa";;;;;;;0.87;;-1.99;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM415629;MM415629;CC#Cc1ccc(F)n1C;SZOVDULRNSFBNF-UHFFFAOYSA-N;137.16;1.54;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC5_SNa";;;;;;;1.64;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM415630;MM415630;CN=Cn1cnc(CF)c1;DJSWZUUHWXIQJB-UHFFFAOYSA-N;141.15;0.86;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP1_SNa";;;;;;;0.04;;-2.54;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM415631;MM415631;Cn1ncc(CN)cc1=N;LMGNSBBSAXOFRL-UHFFFAOYSA-N;138.17;-0.64;;;;;DOPC;MDCG;27;1;"MARTINI bead: SP2_SP2";;;;;;;-1.34;;-5.69;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM415632;MM415632;C=NOC(C)C(C#N)=CF;VYHSJNMZMBSVSF-UHFFFAOYSA-N;142.13;1.38;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_Na";;;;;;;0.87;;-2.22;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM415633;MM415633;C=CC1=CC2CC2(OC)O1;AEOSUGJSEDHDTC-UHFFFAOYSA-N;138.17;1.45;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNa_SNa";;;;;;;0.87;;-2.22;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM415634;MM415634;CC=CCCC(=CC)CF;IRDYJSHIEKRGOQ-UHFFFAOYSA-N;142.22;3.26;;;;;DOPC;MDCG;27;0;"MARTINI bead: C2_C3";;;;;;;4.53;;0.32;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM415635;MM415635;CC#Cc1ccc(C)n1N;HXOATEMQVOWELB-UHFFFAOYSA-N;134.18;0.88;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC5_SN0";;;;;;;1.94;;0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM415636;MM415636;CC=Cn1cnc(NC)c1;ZBGBEJGFCVGBKZ-UHFFFAOYSA-N;137.19;1.42;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNda_SN0";;;;;;;1.17;;-1.13;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM415637;MM415637;C=COC(C)C(C=C)=NO;NFONRAUFCPNTKQ-UHFFFAOYSA-N;141.17;1.55;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_Nda";;;;;;;1.64;;0.05;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM415638;MM415638;CC=C(CC)CCC=NN;NWQHCUZJPZQJQA-UHFFFAOYSA-N;140.23;2.07;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1_Nd";;;;;;;2.91;;0.64;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM415639;MM415639;N=c1cc(CN)cnn1O;NQSMOSNRUQSMEZ-UHFFFAOYSA-N;140.15;-0.94;;;;;DOPC;MDCG;27;1;"MARTINI bead: SP2_SP2";;;;;;;-1.34;;-5.56;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM415640;MM415640;COC12CC1C=C(C=O)O2;DCEDIAJAJIIUIP-UHFFFAOYSA-N;140.14;0.46;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNa_SNa";;;;;;;0.87;;-2.22;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM415641;MM415641;CC#Cc1ccc(N)n1N;IHPGZULVBHIVDC-UHFFFAOYSA-N;135.17;0.16;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC5_SP1";;;;;;;0.81;;-0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM415642;MM415642;CN=Cn1cnc(NC)c1;IQOBZSYWOWVVQR-UHFFFAOYSA-N;138.17;0.43;;;;;DOPC;MDCG;27;1;"MARTINI bead: SNda_SP1";;;;;;;0.04;;-4.03;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM415643;MM415643;NC=C(C#CC(=O)O)C=O;FNWYTTKMEPAYMB-UHFFFAOYSA-N;139.11;-0.88;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_Nda";;;;;;;-0.24;;-7.99;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM415644;MM415644;CCc1cnn(C)c(=O)c1;NOLXTJIJIGRFJA-UHFFFAOYSA-N;138.17;0.34;;;;;DOPC;MDCG;27;0;"MARTINI bead: SN0_SP2";;;;;;;0.06;;-2.21;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM415645;MM415645;COC12CC1C=C(C#N)O2;UIEHXEINHKKBGQ-UHFFFAOYSA-N;137.14;0.79;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNa_SNa";;;;;;;0.87;;-2.22;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM415646;MM415646;CC=C(CC)CCC=NO;HHUIXWVJWLDBKM-UHFFFAOYSA-N;141.21;2.58;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1_P1";;;;;;;2.08;;0.48;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM415647;MM415647;CC#Cc1ccc(O)n1N;CXGIOUOSNNNFEO-UHFFFAOYSA-N;136.15;0.28;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC5_SNda";;;;;;;1.64;;0.05;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM415648;MM415648;CC=Cn1cnc(OC)c1;QECIGGTUHMOJLX-UHFFFAOYSA-N;138.17;1.38;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNa_SN0";;;;;;;1.17;;-1.18;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM415649;MM415649;Cn1ncc(CN)cc1=O;SVCGPCKFCPQUGQ-UHFFFAOYSA-N;139.16;-0.76;;;;;DOPC;MDCG;27;1;"MARTINI bead: SP2_SP2";;;;;;;-1.34;;-6.24;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM415650;MM415650;C=COC=NNCCC;YWEUOWCPFWKAPH-UHFFFAOYSA-N;128.18;1.09;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nd_Na";;;;;;;0.87;;-1.88;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM415651;MM415651;CCC12CC(C=O)=CC1N2;ODHXAWITLVBIOJ-UHFFFAOYSA-N;137.18;0.64;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNd_SNa";;;;;;;0.87;;-1.88;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM415652;MM415652;CC#Cc1ccc(F)n1N;OGIRBEYMYBOSTC-UHFFFAOYSA-N;138.15;0.71;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC5_SNda";;;;;;;1.64;;0.05;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM415653;MM415653;CCC(=CF)CCC=NN;MDKBMUQCVMBDED-UHFFFAOYSA-N;144.19;1.97;;;;;DOPC;MDCG;27;0;"MARTINI bead: C2_Nd";;;;;;;2.83;;0.62;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM415654;MM415654;CC=Nn1cnc(NC)c1;DRRFVOBZSSCGQB-UHFFFAOYSA-N;138.17;0.78;;;;;DOPC;MDCG;27;1;"MARTINI bead: SNda_SP1";;;;;;;0.04;;-3.88;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM415655;MM415655;CN=C(C#N)N(C)CC#N;FRWYOZXRUDOIQE-UHFFFAOYSA-N;136.16;-0.01;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nd_P2";;;;;;;-0.24;;-3.16;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM415656;MM415656;Cn1ncc(CO)cc1=O;JRPKKKTYVIRAMB-UHFFFAOYSA-N;140.14;-0.73;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP2_SP1";;;;;;;-1.06;;-3.82;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM415657;MM415657;CCC12CC(C#N)=CC1N2;YIFKOGXYDTVZPA-UHFFFAOYSA-N;134.18;0.96;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNd_SN0";;;;;;;1.17;;-1.04;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM415658;MM415658;CCC(=CF)CCC=NO;FYKCVDKSDXEDAT-UHFFFAOYSA-N;145.18;2.49;;;;;DOPC;MDCG;27;0;"MARTINI bead: C2_P1";;;;;;;2;;0.3;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM415659;MM415659;CC#Cc1ccc(C)n1O;NAHHSQADUCDKGV-UHFFFAOYSA-N;135.17;1.41;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC5_SNda";;;;;;;1.64;;0.05;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM415660;MM415660;CC=Cn1cc(CC)cn1;GSHHTNRUPDFGNR-UHFFFAOYSA-N;136.2;1.94;;;;;DOPC;MDCG;27;0;"MARTINI bead: SN0_SNa";;;;;;;1.17;;-1.18;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM415661;MM415661;C=CC(=NO)N(O)CC#N;VRJPSQRYFVLFKW-UHFFFAOYSA-N;141.13;0.17;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda_P2";;;;;;;-0.24;;-3.31;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM415662;MM415662;Cn1ncc(CF)cc1=O;NWNRQQFPRPTAAB-UHFFFAOYSA-N;142.13;0.25;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP2_SNa";;;;;;;-0.24;;-3.24;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM415663;MM415663;C=CC1=CC2NC2(CN)C1;CAUDJAPUAMGBBF-UHFFFAOYSA-N;136.2;0.17;;;;;DOPC;MDCG;27;1;"MARTINI bead: SP2_SC3";;;;;;;1.46;;-1.99;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM415664;MM415664;CC=C(CN)CCC=NO;MCIDJIITGUSDOG-UHFFFAOYSA-N;142.2;1.13;;;;;DOPC;MDCG;27;1;"MARTINI bead: C5_P1";;;;;;;0.81;;-2.69;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM415665;MM415665;CC=Cn1cc(CN)cn1;LOYJWEJPYYSBKO-UHFFFAOYSA-N;137.19;0.83;;;;;DOPC;MDCG;27;1;"MARTINI bead: SNa_SP2";;;;;;;-0.24;;-4.64;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM415666;MM415666;CC#Cc1ccc(N)n1O;GDZRWZFPBHBLMB-UHFFFAOYSA-N;136.15;0.68;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC5_SP1";;;;;;;0.81;;-0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM415667;MM415667;CCc1cnn(N)c(=O)c1;LNXAKODTGGGEDD-UHFFFAOYSA-N;139.16;-0.48;;;;;DOPC;MDCG;27;0;"MARTINI bead: SN0_SP2";;;;;;;0.06;;-2.21;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM415668;MM415668;C#CC=C(C)CC(C)(C)O;NKYNJWNDLVRCFX-UHFFFAOYSA-N;138.21;1.73;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4_Nda";;;;;;;2.2;;0.49;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM415669;MM415669;CC=C(CO)CCC=NO;FNTQGIMLTBVTDE-UHFFFAOYSA-N;143.19;1.17;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_P1";;;;;;;0.81;;-0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM415670;MM415670;CCCCOC(=O)C=NN;MQISYQGYCZEXRL-UHFFFAOYSA-N;144.17;0.27;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1_P2";;;;;;;1.8;;0.4;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM415671;MM415671;C=CC(=NN)OC(=C)CC;ZBFUBJGTYHYIMN-UHFFFAOYSA-N;140.19;1.38;;;;;DOPC;MDCG;27;0;"MARTINI bead: C3_Nda";;;;;;;2.57;;0.44;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM415672;MM415672;CC#Cc1ccc(O)n1O;PAQGVSLTODPBBE-UHFFFAOYSA-N;137.14;0.8;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC5_SNda";;;;;;;1.64;;0.05;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM415673;MM415673;CCC1(O)CC(C)C1;WBEXLIVXJHEZRP-UHFFFAOYSA-N;114.19;1.56;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNda_SC4";;;;;;;2.2;;0.49;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM415674;MM415674;Cc1nc(=N)n(C(=O)O)o1;LJBOYCIKDZQENS-UHFFFAOYSA-N;143.1;-0.21;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNa_SP2";;;;;;;-0.24;;-7.98;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM415675;MM415675;CC=C(CF)CCC=NO;CGKUTCOBYINJIH-UHFFFAOYSA-N;145.18;2.14;;;;;DOPC;MDCG;27;0;"MARTINI bead: C3_P1";;;;;;;1.74;;0.29;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM415676;MM415676;COCCOC(=O)C=NN;CGAZMNZOAFJVCK-UHFFFAOYSA-N;146.15;-0.88;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_P2";;;;;;;-0.24;;-3.24;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM415677;MM415677;CC=Cn1cc(CF)cn1;OZPINRGOROTTBJ-UHFFFAOYSA-N;140.16;1.84;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNa_SNa";;;;;;;0.87;;-2.22;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM415678;MM415678;CC#Cc1ccc(F)n1O;IEBQRTUZOGZGAI-UHFFFAOYSA-N;139.13;1.24;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNda_SNa";;;;;;;0.87;;-1.99;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM415680;MM415680;Nn1ncc(CF)cc1=O;PYWXPHLDSHHMGC-UHFFFAOYSA-N;143.12;-0.57;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP2_SNa";;;;;;;-0.24;;-3.24;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM415679;MM415679;CN=C(C#N)N(C)NC=N;SYPSWNDIJOGLNG-UHFFFAOYSA-N;139.16;-0.42;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1_P2";;;;;;;-1.06;;-5.81;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM415681;MM415681;CC=CCCC(CC)=NN;BCSJVNRKCIDETQ-UHFFFAOYSA-N;140.23;2.07;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_C2";;;;;;;3.6;;0.34;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM415682;MM415682;CCOCOC(=O)C=NN;UPRUIFOZFUIDFB-UHFFFAOYSA-N;146.15;-0.53;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_P2";;;;;;;-0.24;;-3.24;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM415683;MM415683;CC=Cn1cc(NC)cn1;ZSKDBZKBCAPIQI-UHFFFAOYSA-N;137.19;1.42;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNd_SNa";;;;;;;0.87;;-1.88;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM415684;MM415684;CC#Cc1cnc(C)n1N;HWZJSVUMHIBUAQ-UHFFFAOYSA-N;135.17;0.28;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNd_SNa";;;;;;;0.87;;-1.88;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM415685;MM415685;NC=C(OC=NO)C(=O)O;YFXBOWIXAHLNKS-UHFFFAOYSA-N;146.1;-0.69;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_P1";;;;;;;-0.79;;-8.15;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM415686;MM415686;CC=CCCC(CC)=NO;ZXVXARBTAVOICP-UHFFFAOYSA-N;141.21;2.58;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda_C2";;;;;;;2.83;;0.57;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM415687;MM415687;CN=C(C#N)N(C)NC=O;HCJYIWACMAWLJT-UHFFFAOYSA-N;140.15;-0.87;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_P2";;;;;;;-1.06;;-3.82;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM415688;MM415688;C=CC1=CC2NC2(CF)C1;FSLSBLBODFULBU-UHFFFAOYSA-N;139.17;1.18;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNda_SC3";;;;;;;2.57;;0.44;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM415689;MM415689;CC=Cn1cc(OC)cn1;GDIDGGUNEUKUMY-UHFFFAOYSA-N;138.17;1.38;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNa_SNa";;;;;;;0.87;;-2.22;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM415690;MM415690;CCCC(O)C1C(C)C1C;KHYNNQFJNNIGGT-UHFFFAOYSA-N;142.24;2.05;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda_SC5";;;;;;;1.64;;0.05;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM415691;MM415691;CCC(CCC=CF)=NO;YQQXBFANMNNWHE-UHFFFAOYSA-N;145.18;2.49;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda_C4";;;;;;;2.2;;0.49;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM415692;MM415692;COC=C(F)C#CC(=O)O;GMYVVQZZUHJDCJ-UHFFFAOYSA-N;144.1;0.53;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_P1";;;;;;;0.81;;-5.46;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM415693;MM415693;CN(NC=O)C(C=O)=NO;NVULMQVJDMWFLK-UHFFFAOYSA-N;145.12;-1.43;;;;;DOPC;MDCG;27;0;"MARTINI bead: P4_P1";;;;;;;-2.01;;-5.13;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM415694;MM415694;C=CC1=CC2OC2(CC)C1;IKZGNJHAMWMDEX-UHFFFAOYSA-N;136.19;2.05;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC5_SC3";;;;;;;3.34;;0.48;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM415695;MM415695;CC=Nn1cc(CC)cn1;NCNGNCAVNDTEQQ-UHFFFAOYSA-N;137.19;1.3;;;;;DOPC;MDCG;27;0;"MARTINI bead: SN0_SNa";;;;;;;1.17;;-1.18;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM415696;MM415696;CC#Cc1ncc(C)n1C;ZONYCZLURTZRTJ-UHFFFAOYSA-N;134.18;1.1;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNa_SP1";;;;;;;0.04;;-2.54;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM415697;MM415697;C=C(C)C(O)CC(C)(C)C;JIVJHEKAKOQVLW-UHFFFAOYSA-N;142.24;2.36;;;;;DOPC;MDCG;27;0;"MARTINI bead: N0_C3";;;;;;;2.87;;0.37;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM415698;MM415698;CN1CC(=O)C1(C)C;CBCYOHVVZGMLDO-UHFFFAOYSA-N;113.16;0.28;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP2_SN0";;;;;;;0.06;;-2.21;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM415699;MM415699;CC=CCCC(CN)=NO;ULTFNGBVFXBJGQ-UHFFFAOYSA-N;142.2;1.13;;;;;DOPC;MDCG;27;1;"MARTINI bead: C1_P3";;;;;;;0.94;;-1.03;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM415700;MM415700;C=CC(=NN)OC(=C)CF;UZTJPRVPQNPHHC-UHFFFAOYSA-N;144.15;0.94;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nd_Na";;;;;;;0.87;;-1.88;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM415701;MM415701;CCC12CC(C=O)=CC1O2;WADHAUMBQJQYHU-UHFFFAOYSA-N;138.17;1.06;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC5_SNa";;;;;;;1.64;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM415702;MM415702;CC#Cc1ncc(N)n1C;SAMHQQMSKXAWHP-UHFFFAOYSA-N;135.17;0.37;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNa_SP2";;;;;;;-0.24;;-3.24;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM415703;MM415703;CN=C(C=O)N(C)OC=O;ZQQIITFPLKGXRP-UHFFFAOYSA-N;144.13;-0.77;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_P2";;;;;;;-0.24;;-3.24;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM415704;MM415704;CC(C)C(C)C(C)C(C)O;MVRCDKHGAOAPRH-UHFFFAOYSA-N;144.26;2.3;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1_Nda";;;;;;;2.91;;0.57;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM415705;MM415705;NN=c1nnon1N;QCGZJBBJILPAEB-UHFFFAOYSA-N;116.08;-2.64;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP2_SP2";;;;;;;-1.34;;-4.31;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM415706;MM415706;CCC12CC(C#N)=CC1O2;MVXDBDKYPRJJBB-UHFFFAOYSA-N;135.17;1.39;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC5_SN0";;;;;;;1.94;;0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM415707;MM415707;CC=Nn1cc(OC)cn1;CTZALAKWWLSHON-UHFFFAOYSA-N;139.16;0.75;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNa_SNa";;;;;;;0.87;;-2.22;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM415708;MM415708;CC#Cc1ncc(O)n1C;JQMUXBPVPDBADP-UHFFFAOYSA-N;136.15;0.5;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNa_SP1";;;;;;;0.04;;-2.54;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM415709;MM415709;C#CCC(C)C(C=C)=CC;DZPGZBBUYARYMG-UHFFFAOYSA-N;134.22;2.78;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1_N0";;;;;;;3.21;;0.46;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM415710;MM415710;CC(=CC(=O)O)C(O)C#N;DQBCVGALMQPWQJ-UHFFFAOYSA-N;141.13;-0.1;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda_P1";;;;;;;0.04;;-7.7;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM415711;MM415711;C=C(C)C1(O)CC(CC)C1;DGVKJMBJDQTOBV-UHFFFAOYSA-N;140.23;2.11;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC2_SNda";;;;;;;2.83;;0.57;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM415712;MM415712;C=CC1=CC2OC2(CN)C1;CFUBOBYYHLCCAL-UHFFFAOYSA-N;137.18;0.6;;;;;DOPC;MDCG;27;1;"MARTINI bead: SP1_SC3";;;;;;;1.74;;-1.36;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM415713;MM415713;CC=Cn1cc(CC)nn1;URZIJSSIBXGUGM-UHFFFAOYSA-N;137.19;1.33;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNa_SNa";;;;;;;0.87;;-2.22;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM415714;MM415714;CC#Cc1ncc(F)n1C;ZCSZCLQDGQXGKF-UHFFFAOYSA-N;138.15;0.93;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNa_SNa";;;;;;;0.87;;-2.22;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM415715;MM415715;C#CCC(C)C(C=O)=CF;DUQWJFMZDCIDDZ-UHFFFAOYSA-N;140.16;1.7;;;;;DOPC;MDCG;27;0;"MARTINI bead: N0_C5";;;;;;;1.94;;0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM415716;MM415716;COc1cnn(N)c(=N)c1;JYWJEAUSDRWACS-UHFFFAOYSA-N;140.15;-0.92;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP1_SP2";;;;;;;-1.06;;-3.82;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM415717;MM415717;C=CC1=CC2OC2(CO)C1;BQIVLGMSLUAHRI-UHFFFAOYSA-N;138.17;0.63;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP1_SC3";;;;;;;1.74;;0.29;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM415718;MM415718;NN=C(CO)CCC=NO;BZIMPAXZFGZAAF-UHFFFAOYSA-N;145.16;-0.47;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_P1";;;;;;;-1.06;;-3.82;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM415719;MM415719;CC=Cn1cc(CO)nn1;UCINRKTWVUBOHQ-UHFFFAOYSA-N;139.16;0.26;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNa_SP2";;;;;;;-0.24;;-3.24;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM415720;MM415720;CC#Cc1ncc(C)n1N;MIBBHHMEGRQITR-UHFFFAOYSA-N;135.17;0.28;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNa_SP1";;;;;;;0.04;;-2.54;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM415721;MM415721;CCC(C)CC(C)(C)O;RTRZHEPXWQXCCI-UHFFFAOYSA-N;130.23;2.19;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1_Nda";;;;;;;2.91;;0.57;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM415722;MM415722;C#CCC(N)C(C=C)=CC;ITLUIAYCFXYMQF-UHFFFAOYSA-N;135.21;1.47;;;;;DOPC;MDCG;27;1;"MARTINI bead: C5_N0";;;;;;;1.94;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM415723;MM415723;CC=CCCC(=NC)NC;DRSAXSJGAXCTGD-UHFFFAOYSA-N;140.23;1.59;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_C2";;;;;;;2.83;;-2.62;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM415724;MM415724;CC=Cn1cc(CF)nn1;PEFWXNCQQGAMQU-UHFFFAOYSA-N;141.15;1.24;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNa_SP1";;;;;;;0.04;;-2.54;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM415725;MM415725;O=CC1=CC2OC2(CO)C1;MDFAGDVGFOXZSZ-UHFFFAOYSA-N;140.14;-0.35;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP1_SNa";;;;;;;0.04;;-2.54;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM415726;MM415726;CC#Cc1ncc(F)n1N;KTHCFVYLDSJJFS-UHFFFAOYSA-N;139.13;0.11;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNa_SP1";;;;;;;0.04;;-2.54;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM415727;MM415727;COc1cnn(C)c(=O)c1;RRGAHPMHECROKI-UHFFFAOYSA-N;140.14;-0.21;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP1_SP2";;;;;;;-1.06;;-3.82;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM415728;MM415728;C#CCC(N)C(C=C)=CF;FLNNECZPCOVOSF-UHFFFAOYSA-N;139.17;1.38;;;;;DOPC;MDCG;27;1;"MARTINI bead: N0_Nda";;;;;;;1.17;;-3.18;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM415729;MM415729;ON=CCCC(=NO)NO;OOWLVIORPVPEAL-UHFFFAOYSA-N;147.13;-0.01;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_P1";;;;;;;-1.06;;-3.82;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM415730;MM415730;C=CC(=NN)OC(=O)CC;PBFZXDSZPAZVDY-UHFFFAOYSA-N;142.16;0.4;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_Nda";;;;;;;0.87;;-1.99;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM415731;MM415731;N#CC1=CC2OC2(CO)C1;NPOPJCJBCSQCJZ-UHFFFAOYSA-N;137.14;-0.03;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP1_SN0";;;;;;;0.34;;-1.53;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM415732;MM415732;COc1cnn(N)c(=O)c1;CHYPMMSSPZHAHM-UHFFFAOYSA-N;141.13;-1.03;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP1_SP2";;;;;;;-1.06;;-3.82;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM415733;MM415733;CC=CCCC(=CC)OC;KFUJJXWXOJOCFY-UHFFFAOYSA-N;140.23;2.89;;;;;DOPC;MDCG;27;0;"MARTINI bead: C3_C2";;;;;;;4.53;;0.32;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM415734;MM415734;CC#Cc1nnc(C)n1C;IMSHMVTWMJJRMC-UHFFFAOYSA-N;135.17;0.49;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNa_SP1";;;;;;;0.04;;-2.54;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM415735;MM415735;CC=Cn1cc(OC)nn1;HSMDLSYRKSHPQY-UHFFFAOYSA-N;139.16;0.78;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP1_SNa";;;;;;;0.04;;-2.54;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM415736;MM415736;C#CCC(O)C(C=O)=CC;ZRXCVYSDRNYRKB-UHFFFAOYSA-N;138.17;0.52;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_Nda";;;;;;;0.87;;-1.99;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM415737;MM415737;C=CC1=CC2OC2(CF)C1;IQMDLFYVFIULJX-UHFFFAOYSA-N;140.16;1.61;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNa_SC3";;;;;;;2.57;;0.45;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM415738;MM415738;N=c1ncon1C(=O)O;OIIFGBHFDNJTGT-UHFFFAOYSA-N;129.08;-0.52;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP2_SP1";;;;;;;-1.06;;-8.65;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM415739;MM415739;CC=C(CCC=CF)OC;KKHIGAVKRREWEJ-UHFFFAOYSA-N;144.19;2.8;;;;;DOPC;MDCG;27;0;"MARTINI bead: C3_C4";;;;;;;3.9;;0.47;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM415740;MM415740;CC#Cc1nnc(N)n1C;ONDFQZUQEVGQSS-UHFFFAOYSA-N;136.16;-0.23;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNa_SP2";;;;;;;-0.24;;-3.24;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM415741;MM415741;CC=Nn1cc(CC)nn1;NESRWLYOKYCLEY-UHFFFAOYSA-N;138.17;0.69;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNa_SNa";;;;;;;0.87;;-2.22;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM415742;MM415742;C#CCC(O)C(C#N)=CC;DIVAVNPBOTYWPT-UHFFFAOYSA-N;135.17;0.84;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda_N0";;;;;;;1.17;;-1.13;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM415743;MM415743;N#CC1=CC2OC2(CF)C1;QWHPGLSTYSJSGO-UHFFFAOYSA-N;139.13;0.95;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNa_SN0";;;;;;;1.17;;-1.18;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM415744;MM415744;CCc1cc(=N)n(C)nn1;NPFQNUPRAUFHOS-UHFFFAOYSA-N;138.17;-0.14;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNa_SP2";;;;;;;-0.24;;-3.24;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM415745;MM415745;C=NN(CCC)CC(C)=O;GWLZPWOUILCMRQ-UHFFFAOYSA-N;142.2;0.9;;;;;DOPC;MDCG;27;0;"MARTINI bead: N0_P1";;;;;;;0.34;;-1.53;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM415746;MM415746;CC#Cc1nnc(C)n1N;KMVLBWSYNKMJOY-UHFFFAOYSA-N;136.16;-0.33;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP1_SP1";;;;;;;-0.79;;-3.13;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM415747;MM415747;CC=Cn1ccc(CC)n1;PJWVUXJTSCCLQD-UHFFFAOYSA-N;136.2;1.94;;;;;DOPC;MDCG;27;0;"MARTINI bead: SN0_SNa";;;;;;;1.17;;-1.18;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM415748;MM415748;C#CCC(O)C(C#N)=CF;LNQLPSSCZDUWKU-UHFFFAOYSA-N;139.13;0.75;;;;;DOPC;MDCG;27;0;"MARTINI bead: N0_P1";;;;;;;0.34;;-1.53;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM415749;MM415749;C#CC1=CC2CC2(CC)C1;SYDCBUXXNRQUJQ-UHFFFAOYSA-N;132.21;2.37;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC3_SC5";;;;;;;3.34;;0.48;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM415750;MM415750;Cn1nnc(CF)cc1=N;DBZGOQDFOYCXGU-UHFFFAOYSA-N;142.14;-0.24;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP2_SP1";;;;;;;-1.06;;-3.82;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM415751;MM415751;COC(CCC=NN)=NO;RVADUVCDKHVFOF-UHFFFAOYSA-N;145.16;0.15;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_Nd";;;;;;;-0.24;;-3.16;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM415752;MM415752;C=CC(=NN)OC(=O)OC;MZEVOFYBAUVTGR-UHFFFAOYSA-N;144.13;0.23;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_N0";;;;;;;0.34;;-1.53;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM415753;MM415753;C=C(CC(C)(C)O)C(C)C;XTPDPTAUSOZFLO-UHFFFAOYSA-N;142.24;2.36;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1_Nda";;;;;;;2.91;;0.57;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM415754;MM415754;CCOCCON=CCF;VREHKSOZHNUSFW-UHFFFAOYSA-N;149.17;0.99;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_P1";;;;;;;0.81;;-0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM415755;MM415755;C#CC1=CC2CC2(CN)C1;SKNVMFOKOPTZSC-UHFFFAOYSA-N;133.19;0.91;;;;;DOPC;MDCG;27;1;"MARTINI bead: SNd_SC5";;;;;;;1.64;;-2.37;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM415756;MM415756;CCc1cc(=N)n(N)nn1;USTJNKNXLSPQIP-UHFFFAOYSA-N;139.16;-0.97;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNa_SP3";;;;;;;-1.1;;-4.2;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM415757;MM415757;CC=Cn1ccc(CF)n1;DEAUAJBPQBRQDL-UHFFFAOYSA-N;140.16;1.84;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNa_SNa";;;;;;;0.87;;-2.22;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM415758;MM415758;C#CCC(O)C(C=C)=NO;CDKQBRPKQQASOF-UHFFFAOYSA-N;139.15;0.39;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_N0";;;;;;;0.34;;-1.53;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM415759;MM415759;COC(CCC=NO)=NO;SXMQHFOMZGZDMV-UHFFFAOYSA-N;146.15;0.66;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_Nda";;;;;;;-0.24;;-3.31;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM415760;MM415760;N#CCNN=C(N)C(=O)O;QFJKORPFUIFDEX-UHFFFAOYSA-N;142.12;-1.54;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_P1";;;;;;;-1.06;;-9.05;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM415761;MM415761;NN=CC(=O)OCOC=O;IKUUQSSZWXUPDJ-UHFFFAOYSA-N;146.1;-1.4;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_P1";;;;;;;-1.06;;-3.82;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM415762;MM415762;C=CCC(O)CC(C)C;GPAVHRUFYAKWQX-UHFFFAOYSA-N;128.22;1.97;;;;;DOPC;MDCG;27;0;"MARTINI bead: C3_C5";;;;;;;3.34;;0.48;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM415763;MM415763;CC(C(=O)O)C(C)(O)C#N;PSZZDAAUZNNICK-UHFFFAOYSA-N;143.14;-0.02;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_Nda";;;;;;;0.04;;-7.53;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM415764;MM415764;CC=Cn1ccc(OC)n1;PSHSESFCCRTFET-UHFFFAOYSA-N;138.17;1.38;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNa_SNa";;;;;;;0.87;;-2.22;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM415765;MM415765;C=C1C(C)=CC=C1C#CC;VXQXIJKLLXPZJS-UHFFFAOYSA-N;130.19;2.45;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC4_SC5";;;;;;;2.97;;0.45;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM415766;MM415766;CC=C(CC)CN=CNC;WQTVUFFWGNTTNB-UHFFFAOYSA-N;140.23;1.59;;;;;DOPC;MDCG;27;1;"MARTINI bead: C1_P1";;;;;;;2.08;;-1.66;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM415767;MM415767;C#CC1=CC2CC2(CF)C1;DZIDJUCYDDOSJC-UHFFFAOYSA-N;136.17;1.93;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC5_SC5";;;;;;;2.41;;0.64;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM415768;MM415768;CCc1cc(=O)n(C)nn1;ZQLAPSWSLHDZSC-UHFFFAOYSA-N;139.16;-0.26;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNa_SP2";;;;;;;-0.24;;-3.24;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM415769;MM415769;CC(C)=C(C)CC(C)(C)O;RSHMWHOPIBXRTD-UHFFFAOYSA-N;142.24;2.5;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1_Nda";;;;;;;2.91;;0.57;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM415770;MM415770;CC=Nn1ccc(CC)n1;QODOKWOKDOARKI-UHFFFAOYSA-N;137.19;1.3;;;;;DOPC;MDCG;27;0;"MARTINI bead: SN0_SNa";;;;;;;1.17;;-1.18;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM415771;MM415771;C=C1C(F)=CC=C1C#CC;FJSSBZAIMWRNOE-UHFFFAOYSA-N;134.15;2.36;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC4_SC5";;;;;;;2.97;;0.45;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM415772;MM415772;CC=C(CC)CN=CNN;SMLSMXIYGSIUJP-UHFFFAOYSA-N;141.22;0.83;;;;;DOPC;MDCG;27;1;"MARTINI bead: C1_P3";;;;;;;0.94;;-1.35;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM415773;MM415773;C#CC1=CC2CC2(NC)C1;LEQGWLRQTYAEJK-UHFFFAOYSA-N;133.19;0.93;;;;;DOPC;MDCG;27;1;"MARTINI bead: SNd_SC5";;;;;;;1.64;;-2.45;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM415774;MM415774;Cn1nnc(CN)cc1=O;JUPZVSZVGDVZSE-UHFFFAOYSA-N;140.15;-1.37;;;;;DOPC;MDCG;27;1;"MARTINI bead: SP2_SP2";;;;;;;-1.34;;-5.49;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM415775;MM415775;C=CC(=C)OC(C=C)=NN;JBORSHXBVZWUNK-UHFFFAOYSA-N;138.17;1.16;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda_C4";;;;;;;2.2;;0.49;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM415776;MM415776;C#CCN(O)C(C=C)=NO;ZKZLWFNSSMLPEX-UHFFFAOYSA-N;140.14;0.28;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_N0";;;;;;;0.06;;-2.21;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM415777;MM415777;CC#CC1=CC=C(C)C1=O;NWFCBCRZGNFLRP-UHFFFAOYSA-N;132.16;1.47;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC5_SC5";;;;;;;2.41;;0.64;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM415778;MM415778;CCC(=CF)CN=CNC;OCCXWICQERGUSD-UHFFFAOYSA-N;144.19;1.5;;;;;DOPC;MDCG;27;1;"MARTINI bead: C3_P1";;;;;;;1.74;;-2.55;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM415779;MM415779;C#CC1=CC2CC2(OC)C1;XWOCVOPUPWPHBE-UHFFFAOYSA-N;134.18;1.35;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNa_SC5";;;;;;;1.64;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM415780;MM415780;Cn1nnc(CO)cc1=O;PKPVZVWCDQWMEN-UHFFFAOYSA-N;141.13;-1.33;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP2_SP2";;;;;;;-1.34;;-4.31;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM415781;MM415781;CC=Cn1cnc(CC)n1;NJZRXFSERKWIJI-UHFFFAOYSA-N;137.19;1.33;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNa_SNa";;;;;;;0.87;;-2.22;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM415782;MM415782;C#CCN(O)C(C=O)=NO;UZRKERYBHNFEHL-UHFFFAOYSA-N;142.11;-0.7;;;;;DOPC;MDCG;27;0;"MARTINI bead: P3_N0";;;;;;;-0.8;;-2.99;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM415783;MM415783;CC#CC1=CC=C(F)C1=O;VQFFFRFWSZCDNI-UHFFFAOYSA-N;136.13;1.37;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC4_SNa";;;;;;;2.2;;0.34;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM415784;MM415784;CCC(=CF)CN=CNN;MVEPUFYGTMNIFL-UHFFFAOYSA-N;145.18;0.74;;;;;DOPC;MDCG;27;1;"MARTINI bead: C3_P3";;;;;;;0.6;;-2.26;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM415785;MM415785;CCc1cc(=O)n(N)nn1;VCASJFRCCRFLDW-UHFFFAOYSA-N;140.15;-1.09;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNa_SP2";;;;;;;-0.24;;-3.24;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM415786;MM415786;C#CC1=CC2CC2(CC)O1;QYRBUTKTLAERIR-UHFFFAOYSA-N;134.18;1.7;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC3_SNa";;;;;;;2.57;;0.45;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM415787;MM415787;CC=Cn1cnc(CO)n1;UAFFFGVSIQMETF-UHFFFAOYSA-N;139.16;0.26;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNa_SP2";;;;;;;-0.24;;-3.24;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM415788;MM415788;C#CC(=CC)C(C)CCC;BWHBSSVDURJLOG-UHFFFAOYSA-N;136.24;3;;;;;DOPC;MDCG;27;0;"MARTINI bead: C3_C1";;;;;;;4.61;;0.31;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM415789;MM415789;CC#CC1=CN=C(C)C1=O;REKOOJIJJJQRKE-UHFFFAOYSA-N;133.15;0.94;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNa_SN0";;;;;;;1.17;;-1.18;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM415790;MM415790;CC=C(CN)CNC=NC;RGXJLITUJMGFNL-UHFFFAOYSA-N;141.22;0.14;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_P2";;;;;;;-0.24;;-6.42;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM415791;MM415791;C#CC1=CC2CC2(CN)O1;ADEJXQUOBCLQHT-UHFFFAOYSA-N;135.17;0.25;;;;;DOPC;MDCG;27;1;"MARTINI bead: SNd_SNa";;;;;;;0.87;;-3.98;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM415792;MM415792;C=CC1=CCC(C)(O)C1;FVLSKAMJZKVCNZ-UHFFFAOYSA-N;124.18;1.64;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNda_SC3";;;;;;;2.57;;0.44;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM415793;MM415793;CC=Cn1cnc(CF)n1;ZALUWYQFABWCIP-UHFFFAOYSA-N;141.15;1.24;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNa_SP1";;;;;;;0.04;;-2.54;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM415794;MM415794;C#CC(=CC)C(C)CCF;WWJXXQKYASACID-UHFFFAOYSA-N;140.2;2.56;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1_C5";;;;;;;3.68;;0.46;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM415795;MM415795;CC#CC1=NC=C(C)C1=O;DWDNIZPSHHLSJW-UHFFFAOYSA-N;133.15;0.94;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC5_SNa";;;;;;;1.64;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM415796;MM415796;CC=C(CF)CNC=NC;RTNALUMRQSRCGJ-UHFFFAOYSA-N;144.19;1.15;;;;;DOPC;MDCG;27;1;"MARTINI bead: C4_P1";;;;;;;1.37;;-3.17;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM415797;MM415797;C=CC(=O)OC(C=C)=NN;MMFGIEWUZUIABQ-UHFFFAOYSA-N;140.14;0.17;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda_Na";;;;;;;0.87;;-1.99;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM415798;MM415798;N=c1cnnnn1C(=O)O;WWINPQVQOOEZSY-UHFFFAOYSA-N;141.09;-1.32;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP4_SP2";;;;;;;-2.29;;-9.62;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM415799;MM415799;C#CC1=CC2CC2(CO)O1;NXLMWEWPHGPWSF-UHFFFAOYSA-N;136.15;0.28;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNda_SNa";;;;;;;0.87;;-1.99;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM415800;MM415800;C=C1C(C)=NN=C1C#CC;SITFJXUMKZKGLR-UHFFFAOYSA-N;132.17;1.4;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC5_SN0";;;;;;;1.94;;0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM415801;MM415801;C#CC(=CF)C(O)CCO;UIIRZLOIRXTURC-UHFFFAOYSA-N;144.15;0.22;;;;;DOPC;MDCG;27;0;"MARTINI bead: P3_C5";;;;;;;-0.33;;-2.01;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM415802;MM415802;CC=Cn1cnc(OC)n1;SXIQSBUTVYINLT-UHFFFAOYSA-N;139.16;0.78;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP1_SNa";;;;;;;0.04;;-2.54;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM415803;MM415803;CN=CNCC(=CF)CF;DKSKLEOJDMOSFM-UHFFFAOYSA-N;148.16;1.06;;;;;DOPC;MDCG;27;1;"MARTINI bead: P2_C5";;;;;;;0.54;;-4.25;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM415804;MM415804;CON=c1onc(O)o1;HVWRAXBHVBOOAX-UHFFFAOYSA-N;132.08;-0.56;;;;;DOPC;MDCG;27;0;"MARTINI bead: P3_SP3";;;;;;;-3.07;;-10.23;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM415805;MM415805;C#CC1=CC2CC2(OC)O1;XCGZZRQSMDQSQG-UHFFFAOYSA-N;136.15;0.9;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNa_SNa";;;;;;;0.87;;-2.22;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM415806;MM415806;C#CC(=CC)C(C)CNC;VBPZRMGSWUMBDS-UHFFFAOYSA-N;137.23;1.42;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1_C1";;;;;;;2.08;;-1.44;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM415807;MM415807;CC#CC1=NN=C(C)C1=O;JZCZABSNUJHVTF-UHFFFAOYSA-N;134.14;0.41;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNa_SN0";;;;;;;1.17;;-1.18;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM415808;MM415808;CC=Cn1ncc(CC)n1;BMGSYZWCZCAQCA-UHFFFAOYSA-N;137.19;1.33;;;;;DOPC;MDCG;27;0;"MARTINI bead: SN0_SNa";;;;;;;1.17;;-1.18;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM415809;MM415809;CC(C)(O)C1CC1CC#N;LZMZOUBVHWDXIN-UHFFFAOYSA-N;139.2;1.31;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda_SC5";;;;;;;1.64;;0.05;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM415810;MM415810;C=NN=c1onc(O)o1;PTUBWSYVCWBKRW-UHFFFAOYSA-N;129.08;-0.51;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP3_P2";;;;;;;-2.2;;-9.53;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM415811;MM415811;C#CCC1CCC(C)=C1C;OLYWPFMTWDLVOQ-UHFFFAOYSA-N;134.22;2.76;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC3_SC4";;;;;;;3.9;;0.47;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM415812;MM415812;C#CC1=CC2NC2(CN)C1;MGRQLAWABMECQH-UHFFFAOYSA-N;134.18;-0.38;;;;;DOPC;MDCG;27;1;"MARTINI bead: SP2_SC5";;;;;;;0.54;;-3.04;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM415813;MM415813;C#CC(=CC)C(C)COC;JCWQNAKKDMQRJK-UHFFFAOYSA-N;138.21;1.85;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_C1";;;;;;;2.08;;0.48;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM415814;MM415814;CNc1cc(=O)n(C)nn1;MBYBPDGVVMSBBX-UHFFFAOYSA-N;140.15;-0.78;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP1_SP2";;;;;;;-1.06;;-3.82;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM415815;MM415815;CC=Cn1ncc(CO)n1;ONJMKSQRTLSNJC-UHFFFAOYSA-N;139.16;0.26;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNa_SP2";;;;;;;-0.24;;-3.24;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM415816;MM415816;CC=NNCC(=CC)CF;CPHAZVVHNLEBPH-UHFFFAOYSA-N;144.19;1.5;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nd_C4";;;;;;;2.2;;0.32;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM415817;MM415817;C#CC=COC(=O)C=NN;XZVZDCOPBUAUPV-UHFFFAOYSA-N;138.13;-0.38;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_N0";;;;;;;0.34;;-1.53;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM415818;MM415818;CC=CC1CCC(F)=C1C;QBGJRSVBOKTRCE-UHFFFAOYSA-N;140.2;3.22;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC2_SC4";;;;;;;4.16;;0.44;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM415819;MM415819;C#CC(=CF)C(C)COC;VABYVNOTTSBOLR-UHFFFAOYSA-N;142.17;1.76;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_C4";;;;;;;1.37;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM415820;MM415820;CC=Cn1ncc(CF)n1;VJRFEWOHOWVTPG-UHFFFAOYSA-N;141.15;1.24;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNa_SP1";;;;;;;0.04;;-2.54;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM415821;MM415821;C=CC1(O)CCC(C)C1;LSARFFCQWFYJPC-UHFFFAOYSA-N;126.2;1.72;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC3_SC5";;;;;;;3.34;;0.48;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM415822;MM415822;CC=NNCC(=CF)CF;QWHQRJXKYAKMDS-UHFFFAOYSA-N;148.16;1.4;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nd_C5";;;;;;;1.64;;0.02;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM415823;MM415823;C#CC1=CC2NC2(CF)C1;IOTLQWZGWBNUPJ-UHFFFAOYSA-N;137.16;0.63;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNda_SC5";;;;;;;1.64;;0.05;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM415824;MM415824;C#CC(=NN)C(C)CCC;GBENZKJGAVSOGG-UHFFFAOYSA-N;138.21;1.37;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1_P1";;;;;;;2.08;;0.48;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM415825;MM415825;CC#CC1CCC(C)=C1C;RFEXIYOIZSQDDN-UHFFFAOYSA-N;134.22;2.76;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC4_SC3";;;;;;;3.9;;0.47;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM415826;MM415826;CC(=O)C(O)C(C#N)=NO;WVVBNOMAOFTSOF-UHFFFAOYSA-N;142.11;-0.71;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_P3";;;;;;;-1.1;;-8.56;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM415827;MM415827;CC=Cn1ncc(OC)n1;MIMOEZCKTMCOAW-UHFFFAOYSA-N;139.16;0.78;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP1_SNa";;;;;;;0.04;;-2.54;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM415828;MM415828;CCC(CN=CNC)=NN;WIFDBFDZOFQGJE-UHFFFAOYSA-N;142.21;-0.04;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_P1";;;;;;;0.04;;-5.48;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM415829;MM415829;C#CC1=CC2OC2(CC)C1;RQRREOYZQVFSMD-UHFFFAOYSA-N;134.18;1.5;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC5_SC5";;;;;;;2.41;;0.64;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM415830;MM415830;CC=C(CC)CC(C)(C)O;LLHYJHMYSWDLIM-UHFFFAOYSA-N;142.24;2.5;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1_Nda";;;;;;;2.91;;0.57;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM415831;MM415831;CC#CC1CCC(F)=C1C;LQZCVUODRQPZGL-UHFFFAOYSA-N;138.19;2.66;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC4_SC4";;;;;;;3.53;;0.53;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM415832;MM415832;COc1cc(=N)n(C)nn1;BHUYEYMGYWHJAU-UHFFFAOYSA-N;140.15;-0.7;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP1_SP2";;;;;;;-1.06;;-3.82;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM415833;MM415833;CCC(CN=CNN)=NN;CWXFJIRWXDAHEC-UHFFFAOYSA-N;143.19;-0.8;;;;;DOPC;MDCG;27;1;"MARTINI bead: C5_P4";;;;;;;-0.41;;-3.87;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM415834;MM415834;CC=Cn1nnc(CC)n1;QFVITWSJAIJLTA-UHFFFAOYSA-N;138.17;0.73;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNa_SNa";;;;;;;0.87;;-2.22;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM415835;MM415835;C#CC1=CC2OC2(CN)C1;WENNJYMLUNWLAC-UHFFFAOYSA-N;135.17;0.05;;;;;DOPC;MDCG;27;1;"MARTINI bead: SP1_SC5";;;;;;;0.81;;-2.51;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM415836;MM415836;C#CC(=NN)C(O)CNC;MQAYGOZQXUGTNN-UHFFFAOYSA-N;141.17;-1.49;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1_P2";;;;;;;-1.06;;-5.62;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM415837;MM415837;CN(O)C=NC(=O)C(=O)O;MGDNKTRIVMGXTH-UHFFFAOYSA-N;146.1;-1.05;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_P1";;;;;;;-0.79;;-8.16;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM415838;MM415838;CCC=C1CCC(C)=C1C;DKWJUIJKEISVED-UHFFFAOYSA-N;136.24;3.45;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC2_SC3";;;;;;;4.53;;0.32;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM415839;MM415839;CCC(CN=CNC)=NO;KUNHETVPXKSVJV-UHFFFAOYSA-N;143.19;0.47;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nda_P1";;;;;;;0.04;;-5.96;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM415840;MM415840;CC=Cn1nnc(CO)n1;YTDGPRMKODQTKQ-UHFFFAOYSA-N;140.15;-0.34;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNa_SP2";;;;;;;-0.24;;-3.24;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM415841;MM415841;C#CC(=CF)C(C)NCC;YJOLFCGLBBHBBY-UHFFFAOYSA-N;141.19;1.47;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_C5";;;;;;;1.64;;-1.35;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM415842;MM415842;C#CC1=CC2OC2(CO)C1;SMMQTBQMRAOZHK-UHFFFAOYSA-N;136.15;0.08;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP1_SC5";;;;;;;0.81;;-0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM415843;MM415843;CCc1ccn(C)c(=N)n1;GOXMROZTAMRJPM-UHFFFAOYSA-N;137.19;0.46;;;;;DOPC;MDCG;27;1;"MARTINI bead: SNa_SNd";;;;;;;0.87;;-7.83;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM415844;MM415844;CCC=C1CCC(F)=C1C;JGMXNONIULEINS-UHFFFAOYSA-N;140.2;3.36;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC2_SC4";;;;;;;4.16;;0.44;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM415845;MM415845;CN=C(CNC=NN)NN;RRTQIBUBLIQDCV-UHFFFAOYSA-N;144.18;-2.03;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_P3";;;;;;;-1.1;;-5.55;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM415846;MM415846;CC=Cn1nnc(CF)n1;FNAJBMJWUPVWMI-UHFFFAOYSA-N;142.14;0.63;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNa_SP1";;;;;;;0.04;;-2.54;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM415847;MM415847;C#CC(=CC)C(C)OCC;GCSMPBCOYRMBKZ-UHFFFAOYSA-N;138.21;1.99;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_C4";;;;;;;2.97;;0.45;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM415848;MM415848;C=CC12CC(CC)=CC1C2;RXMGLJVAWSREAW-UHFFFAOYSA-N;134.22;2.92;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC2_SC4";;;;;;;4.16;;0.44;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM415849;MM415849;Cn1ccc(CN)nc1=N;VJIFMHFVPPMZDW-UHFFFAOYSA-N;138.17;-0.64;;;;;DOPC;MDCG;27;1;"MARTINI bead: SNd_SP2";;;;;;;-0.24;;-8.27;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM415850;MM415850;C=CC=C1CCC(F)=C1C;ITCPOMGKYXOCFW-UHFFFAOYSA-N;138.19;3.14;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC4_SC4";;;;;;;3.53;;0.53;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM415851;MM415851;CN=C(CNC=NO)NN;DWNGTCGPVWYHEQ-UHFFFAOYSA-N;145.17;-1.51;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_P3";;;;;;;-1.1;;-5.54;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM415852;MM415852;C=CC=C1COC(C)=C1C;PXFAQVPMQAUZSD-UHFFFAOYSA-N;136.19;2.42;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC5_SC5";;;;;;;2.41;;0.64;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM415853;MM415853;C#CC(=NN)C(C)OCC;UNGLCLZXDNVVJY-UHFFFAOYSA-N;140.19;0.36;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_P1";;;;;;;0.81;;-0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM415854;MM415854;CC=Cn1nnc(NC)n1;CHWWPUUPNVGSBI-UHFFFAOYSA-N;139.16;0.21;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP1_SNa";;;;;;;0.04;;-2.54;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM415855;MM415855;C=CC12CC(CN)=CC1C2;FMGYZTMZSGYDHR-UHFFFAOYSA-N;135.21;1.47;;;;;DOPC;MDCG;27;1;"MARTINI bead: SNd_SC4";;;;;;;2.2;;-1.67;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM415856;MM415856;Cn1ccc(CO)nc1=N;MWTOYMOECBUUQJ-UHFFFAOYSA-N;139.16;-0.61;;;;;DOPC;MDCG;27;1;"MARTINI bead: SNd_SP1";;;;;;;0.04;;-7.99;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM415857;MM415857;CN=CNCC(=NO)NO;OAGAOFTVHNONQQ-UHFFFAOYSA-N;146.15;-1;;;;;DOPC;MDCG;27;1;"MARTINI bead: P2_P2";;;;;;;-1.34;;-7.29;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM415858;MM415858;CC=CC1C=CC(C#N)=C1;TYHIGIUVLJAMGX-UHFFFAOYSA-N;131.18;2.2;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC3_SN0";;;;;;;2.87;;0.37;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM415859;MM415859;C#CC=C1CCC(C)=C1C;UCPZZTISXLNAQG-UHFFFAOYSA-N;132.21;2.68;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC3_SC4";;;;;;;3.9;;0.47;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM415860;MM415860;CC#CC(=O)C1NC1(C)C;POCOAHAACLIQFH-UHFFFAOYSA-N;137.18;0.33;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_SNd";;;;;;;1.64;;0.02;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM415861;MM415861;Cn1ccc(CF)nc1=N;CFUUVAAQXJQAJH-UHFFFAOYSA-N;141.15;0.37;;;;;DOPC;MDCG;27;1;"MARTINI bead: SNd_SNa";;;;;;;0.87;;-7.38;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM415862;MM415862;C=CC12CC(CO)=CC1C2;OXGMONBPKQHUFB-UHFFFAOYSA-N;136.19;1.5;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNda_SC4";;;;;;;2.2;;0.49;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM415863;MM415863;ON=CNCC(=NO)NO;SRHBVRMWESMCPR-UHFFFAOYSA-N;148.12;-1.24;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_P3";;;;;;;-2.2;;-5.19;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM415864;MM415864;C=Cc1ccn(C=CC)c1;LMAIALQBQZTVTA-UHFFFAOYSA-N;133.19;2.62;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC4_SN0";;;;;;;2.5;;0.44;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM415865;MM415865;C#CC=C1CCC(F)=C1C;PUVJIUMNJKJILO-UHFFFAOYSA-N;136.17;2.58;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC4_SC4";;;;;;;3.53;;0.53;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM415866;MM415866;CNN=C(C)OCC(C)F;SRYSOEODVSKKMS-UHFFFAOYSA-N;148.18;0.91;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_C5";;;;;;;0.54;;-1.09;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM415867;MM415867;C=CC12CC(CF)=CC1C2;BLJKUCYZEZZVGX-UHFFFAOYSA-N;138.19;2.48;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC5_SC4";;;;;;;2.97;;0.45;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM415868;MM415868;C=CC(C)(O)CC1CC1C;AJNGUBGIFFGJEK-UHFFFAOYSA-N;140.23;1.97;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC5_Nda";;;;;;;1.64;;0.05;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM415869;MM415869;CCc1ccn(N)c(=N)n1;VIIKQTWSVUYNKS-UHFFFAOYSA-N;138.17;-0.36;;;;;DOPC;MDCG;27;1;"MARTINI bead: SNa_SP2";;;;;;;-0.24;;-7.12;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM415870;MM415870;CC=Cn1ccc(C=O)c1;JTKMQDKHSBPXCN-UHFFFAOYSA-N;135.17;1.79;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC4_SNa";;;;;;;2.2;;0.34;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM415871;MM415871;C=C(F)COC(C)=NNC;ZJFIPCKNEBWUKD-UHFFFAOYSA-N;146.17;1.04;;;;;DOPC;MDCG;27;0;"MARTINI bead: P3_C4";;;;;;;0.23;;-1.03;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM415872;MM415872;C#CC=C1COC(C)=C1C;YTQYHIYBMCSADG-UHFFFAOYSA-N;134.18;1.87;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC5_SN0";;;;;;;1.94;;0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM415873;MM415873;CCC1=CC2CC2(C=O)C1;ODSKPRXOIPQXRY-UHFFFAOYSA-N;136.19;1.93;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC2_SNa";;;;;;;2.83;;0.35;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM415874;MM415874;C=CCNN=COC(=C)C;RHOQBNORAMTUOH-UHFFFAOYSA-N;140.19;1.26;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_P2";;;;;;;0.54;;-1.09;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM415875;MM415875;N=c1nc(CO)ccn1N;FYRWUKYYDAYFDT-UHFFFAOYSA-N;140.15;-1.43;;;;;DOPC;MDCG;27;1;"MARTINI bead: SP2_SP1";;;;;;;-1.06;;-7.26;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM415876;MM415876;CC=Cn1ccc(C#N)c1;LQUGVGIMMOATGF-UHFFFAOYSA-N;132.17;1.85;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC4_SN0";;;;;;;2.5;;0.44;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM415877;MM415877;C#CCC1C=CC(C)=C1C;REZLIULXMWNRFB-UHFFFAOYSA-N;132.21;2.53;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC3_SC4";;;;;;;3.9;;0.47;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM415878;MM415878;CCC1=CC2CC2(C#N)C1;BMKJNXYMHSYFOF-UHFFFAOYSA-N;133.19;2.26;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC2_SN0";;;;;;;3.13;;0.3;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM415879;MM415879;CNN=C(C=C(N)N)OC;AFANWPZCKDMUGN-UHFFFAOYSA-N;144.18;-1.08;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_P2";;;;;;;-1.06;;-3.82;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM415880;MM415880;CC=NNCC(=NO)NO;ZMXDPCXRNHVTKC-UHFFFAOYSA-N;146.15;-0.65;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nd_P4";;;;;;;-1.19;;-4.91;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM415881;MM415881;N=c1nc(CF)ccn1N;ZESYGTKTMXGPQU-UHFFFAOYSA-N;142.14;-0.45;;;;;DOPC;MDCG;27;1;"MARTINI bead: SP2_SNa";;;;;;;-0.24;;-6.58;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM415882;MM415882;C=Cc1ccn(C=NC)c1;RVAJQPGVWSPAPH-UHFFFAOYSA-N;134.18;1.64;;;;;DOPC;MDCG;27;1;"MARTINI bead: SN0_SN0";;;;;;;1.47;;-2.4;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM415883;MM415883;CNN=C(C)OCCOC;MHSVQWKFSBHDDX-UHFFFAOYSA-N;146.19;0.2;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda_P1";;;;;;;0.04;;-2.73;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM415884;MM415884;CC=C(CN=CNC)OC;VNBLEPJHMZNOAS-UHFFFAOYSA-N;142.2;0.78;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1_C5";;;;;;;0.81;;-3.18;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM415885;MM415885;CCC=C1C=CC(F)=C1C;QLFCUXCNYOJLBI-UHFFFAOYSA-N;138.19;3.14;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC3_SC4";;;;;;;3.9;;0.47;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM415886;MM415886;CCc1ccn(O)c(=N)n1;NTXXBSWWTUXIAK-UHFFFAOYSA-N;139.16;0.16;;;;;DOPC;MDCG;27;1;"MARTINI bead: SNa_SP2";;;;;;;-0.24;;-6.72;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM415887;MM415887;O=CC12CC(CO)=CC1C2;VDEJCWZXIYCRFE-UHFFFAOYSA-N;138.17;0.51;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNda_SNa";;;;;;;0.87;;-1.99;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM415888;MM415888;C#CC(=NO)N(O)CCO;POWPKMJMSVSTQJ-UHFFFAOYSA-N;144.13;-0.91;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_P1";;;;;;;-0.79;;-3.13;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM415889;MM415889;C=Cc1ccn(N=CC)c1;PQTPOUBGWKGHTP-UHFFFAOYSA-N;134.18;1.98;;;;;DOPC;MDCG;27;1;"MARTINI bead: SC5_SN0";;;;;;;1.94;;-0.3;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM415890;MM415890;CC=NNCC(=CC)OC;AVAFHTKZOJUZAP-UHFFFAOYSA-N;142.2;1.13;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_Nd";;;;;;;1.64;;0.02;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM415891;MM415891;C=CC=C1C=CC(C)=C1C;YZLKOVOBYRGNEA-UHFFFAOYSA-N;132.21;3.01;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC3_SC3";;;;;;;4.27;;0.2;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM415892;MM415892;N#CC12CC(CO)=CC1C2;XAVWWVODHXBTTR-UHFFFAOYSA-N;135.17;0.84;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNda_SN0";;;;;;;1.17;;-1.13;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM415893;MM415893;N=c1nc(CN)ccn1O;UIXVAVPIMUXMLN-UHFFFAOYSA-N;140.15;-0.94;;;;;DOPC;MDCG;27;1;"MARTINI bead: SP2_SP2";;;;;;;-1.34;;-7.54;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM415894;MM415894;C#CC(=CF)C(O)CC#N;FOIUTZLDQLALKC-UHFFFAOYSA-N;139.13;0.75;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_C5";;;;;;;0.54;;-1.09;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM415895;MM415895;CC=Nn1ccc(C#N)c1;QAPAYTTXADZYNQ-UHFFFAOYSA-N;133.15;1.21;;;;;DOPC;MDCG;27;1;"MARTINI bead: SC5_SN0";;;;;;;1.94;;0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM415896;MM415896;CC=COCC(=CC)CC;OQVCZKRWVPPSQB-UHFFFAOYSA-N;140.23;2.89;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1_C5";;;;;;;3.68;;0.46;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM415897;MM415897;O=CC12CC(CF)=CC1C2;LKWIQEGLGCCOBB-UHFFFAOYSA-N;140.16;1.49;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC5_SNa";;;;;;;1.64;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM415898;MM415898;C#CC=C1C=CC(C)=C1C;VFFXBFWYFRTFMQ-UHFFFAOYSA-N;130.19;2.45;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC3_SC4";;;;;;;3.9;;0.47;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM415899;MM415899;N=c1nc(CO)ccn1O;XLNWEBYUUGAULQ-UHFFFAOYSA-N;141.13;-0.91;;;;;DOPC;MDCG;27;1;"MARTINI bead: SP1_SP2";;;;;;;-1.06;;-6.83;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM415900;MM415900;C#CC(=NO)C(C)CC=O;AKPJDMYVVZRMQN-UHFFFAOYSA-N;139.15;0.67;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4_P3";;;;;;;0.23;;-1.03;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM415901;MM415901;C=Cc1cn(C=CC)cn1;UWIZZWNJSMRIAE-UHFFFAOYSA-N;134.18;2.02;;;;;DOPC;MDCG;27;0;"MARTINI bead: SN0_SNa";;;;;;;1.17;;-1.18;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM415902;MM415902;C#CC=C1C=CC(F)=C1C;KUXCDPIDRQZTKD-UHFFFAOYSA-N;134.15;2.36;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC4_SC4";;;;;;;3.53;;0.53;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM415903;MM415903;CC=C(CC)COC=CF;PJVUIAONFYEERH-UHFFFAOYSA-N;144.19;2.8;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1_Na";;;;;;;2.91;;0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM415904;MM415904;N#CC12CC(CF)=CC1C2;QPPOZGUULCPMDE-UHFFFAOYSA-N;137.16;1.82;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC5_SN0";;;;;;;1.94;;0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM415905;MM415905;N=c1nc(CF)ccn1O;YLWWDKNLCMFMTP-UHFFFAOYSA-N;143.12;0.07;;;;;DOPC;MDCG;27;1;"MARTINI bead: SP2_SNa";;;;;;;-0.24;;-6.15;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM415906;MM415906;C#CC(=CF)C(C)NC=N;XLADBOGSAKATMS-UHFFFAOYSA-N;140.16;1.06;;;;;DOPC;MDCG;27;1;"MARTINI bead: P2_C5";;;;;;;0.54;;-4.5;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM415907;MM415907;CC=Cn1cnc(C=O)c1;PTWWZTPJNKIEHV-UHFFFAOYSA-N;136.15;1.19;;;;;DOPC;MDCG;27;0;"MARTINI bead: SN0_SP1";;;;;;;0.34;;-1.53;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM415908;MM415908;CCCC1=CCC(C)=C1C;NYIMTEOHNIINLX-UHFFFAOYSA-N;136.24;3.45;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC2_SC3";;;;;;;4.53;;0.32;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM415909;MM415909;CC=COCC(=CF)CC;BTDUYASTMGTDSA-UHFFFAOYSA-N;144.19;2.8;;;;;DOPC;MDCG;27;0;"MARTINI bead: C3_C5";;;;;;;3.34;;0.48;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM415910;MM415910;C=CC12CC(OC)=CC1C2;INTGGDFJKMLLNA-UHFFFAOYSA-N;136.19;2.11;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC5_SC4";;;;;;;2.97;;0.45;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM415911;MM415911;CCCNN=C(C)OC=O;KXNBGCJUDQVYSO-UHFFFAOYSA-N;144.17;0.49;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nd_Na";;;;;;;0.87;;-1.88;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM415912;MM415912;CCc1ccn(C)c(=O)n1;VSYVSPTYGLHDKX-UHFFFAOYSA-N;138.17;0.34;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNa_SP1";;;;;;;0.04;;-2.54;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM415913;MM415913;CC=Cn1cnc(C#N)c1;ZIXCXYZWWSINMS-UHFFFAOYSA-N;133.15;1.25;;;;;DOPC;MDCG;27;0;"MARTINI bead: SN0_SNa";;;;;;;1.17;;-1.18;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM415914;MM415914;CCCc1c[nH]c(F)c1C;IQXWISPREJCYMH-UHFFFAOYSA-N;141.19;2.41;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC4_SN0";;;;;;;2.5;;0.44;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM415915;MM415915;CCC(=CF)COC=CF;ZMXZTKYFFMKDBY-UHFFFAOYSA-N;148.15;2.71;;;;;DOPC;MDCG;27;0;"MARTINI bead: C3_N0";;;;;;;2.87;;0.37;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM415916;MM415916;COC1=CC2CC2(C=O)C1;YSYINIBXDAVJMG-UHFFFAOYSA-N;138.17;1.13;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC5_SNa";;;;;;;1.64;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM415917;MM415917;C#CC(=NO)C(C)NC=O;SZESWTRJPPZMEC-UHFFFAOYSA-N;140.14;-0.42;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_P1";;;;;;;-0.79;;-3.13;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM415918;MM415918;CN=Cn1cnc(C#N)c1;FKQACEASZWBORX-UHFFFAOYSA-N;134.14;0.26;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP1_SNa";;;;;;;0.04;;-2.54;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM415919;MM415919;Cn1ccc(CN)nc1=O;RONNSIOVIGQVBT-UHFFFAOYSA-N;139.16;-0.76;;;;;DOPC;MDCG;27;1;"MARTINI bead: SP1_SP2";;;;;;;-1.06;;-5.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM415920;MM415920;CCCc1c[nH]c(F)c1N;KOPIAAVAXAAFPK-UHFFFAOYSA-N;142.18;1.69;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC4_SNda";;;;;;;2.2;;0.49;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM415921;MM415921;CC=COCC(=CC)CN;IWUHIKJYYRWFAL-UHFFFAOYSA-N;141.21;1.44;;;;;DOPC;MDCG;27;1;"MARTINI bead: C5_Nd";;;;;;;1.64;;-2.07;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM415922;MM415922;COC1=CC2CC2(C#N)C1;LDICKMDJCXSRJY-UHFFFAOYSA-N;135.17;1.45;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC5_SN0";;;;;;;1.94;;0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM415923;MM415923;Cn1ccc(CO)nc1=O;QTQTUNLSHRKIAO-UHFFFAOYSA-N;140.14;-0.73;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP1_SP1";;;;;;;-0.79;;-3.13;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM415924;MM415924;C=Cc1cnn(C=CC)c1;HYJJXYRHLAWYQS-UHFFFAOYSA-N;134.18;2.02;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNa_SN0";;;;;;;1.17;;-1.18;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM415925;MM415925;C#CC(=NO)C(C)NN=C;KSEIFRGMILYAEO-UHFFFAOYSA-N;139.16;0.04;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nd_P1";;;;;;;0.04;;-2.63;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM415926;MM415926;C=CCC1=CCC(C)=C1C;BSPBKSWZQROSMS-UHFFFAOYSA-N;134.22;3.23;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC3_SC4";;;;;;;3.9;;0.47;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM415927;MM415927;CC=C(CN)COC=CF;POIMVMHANQDSED-UHFFFAOYSA-N;145.18;1.35;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_Na";;;;;;;0.87;;-4.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM415928;MM415928;C=CC12CC1NC(CC)=N2;XRNXSBDMFIEEQD-UHFFFAOYSA-N;136.2;1.1;;;;;DOPC;MDCG;27;1;"MARTINI bead: SNd_SP1";;;;;;;0.04;;-4.3;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM415929;MM415929;C#CC(=CC)C(C)OC=C;ZAPHMAPSCJJBDH-UHFFFAOYSA-N;136.19;2.11;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4_C5";;;;;;;2.97;;0.45;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM415930;MM415930;Cn1ccc(CF)nc1=O;GJFJEPPBWHKKSV-UHFFFAOYSA-N;142.13;0.25;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP1_SNa";;;;;;;0.04;;-2.54;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM415931;MM415931;CC=Cn1cc(C=O)cn1;SMZABNTVYGQPNN-UHFFFAOYSA-N;136.15;1.19;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNa_SP1";;;;;;;0.04;;-2.54;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM415932;MM415932;C#CCC1=CCC(C)=C1C;RTVYLCLPULTVLC-UHFFFAOYSA-N;132.21;2.68;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC3_SC4";;;;;;;3.9;;0.47;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM415933;MM415933;C=CC12CC1NC(CN)=N2;NHYLCUFRGSRQQB-UHFFFAOYSA-N;137.19;-0.36;;;;;DOPC;MDCG;27;1;"MARTINI bead: SP2_SP1";;;;;;;-1.06;;-4.92;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM415934;MM415934;CC=COCC(=CC)CO;AMQJWGMTQMCMJY-UHFFFAOYSA-N;142.2;1.48;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_Nda";;;;;;;1.64;;0.05;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM415935;MM415935;CCc1ccn(N)c(=O)n1;IRFBHZSUVXOTSH-UHFFFAOYSA-N;139.16;-0.48;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNa_SP2";;;;;;;-0.24;;-3.24;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM415936;MM415936;C#CC(=CC)C(C)OC=O;CWDPZWLXDGEDKV-UHFFFAOYSA-N;138.17;1.13;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4_Na";;;;;;;2.2;;0.34;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM415937;MM415937;CC=Cn1cc(C#N)cn1;KILSVGRFZHYOJK-UHFFFAOYSA-N;133.15;1.25;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNa_SP1";;;;;;;0.04;;-2.54;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM415938;MM415938;C#CCC1=CCC(F)=C1C;NKDBEQUEQBIVIZ-UHFFFAOYSA-N;136.17;2.58;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC5_SC4";;;;;;;2.97;;0.45;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM415939;MM415939;C=CC12CC1NC(CF)=N2;ALWRMLTZSHSZIR-UHFFFAOYSA-N;140.16;0.65;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNda_SP1";;;;;;;0.04;;-2.73;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM415940;MM415940;CC=C(CO)COC=CF;LZPIHWAESNEKNR-UHFFFAOYSA-N;146.16;1.38;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda_N0";;;;;;;1.17;;-1.13;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM415941;MM415941;C=CC(C)(O)C1CC1C;XFGSLGFUNLVEBR-UHFFFAOYSA-N;126.2;1.58;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC5_Nda";;;;;;;1.64;;0.05;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM415942;MM415942;C#CC(=CF)C(C)OC=O;ZQJCPPYUNTUJDS-UHFFFAOYSA-N;142.13;1.03;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_C5";;;;;;;1.64;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM415943;MM415943;CN=Cn1cc(C#N)cn1;RFGAQFIZPOBMJD-UHFFFAOYSA-N;134.14;0.26;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNa_SP1";;;;;;;0.04;;-2.54;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM415944;MM415944;C=C(F)C=NOC=NNC;GOPVTUXLMFKKAF-UHFFFAOYSA-N;145.14;0.63;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_C5";;;;;;;0.81;;-0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM415945;MM415945;C#CCc1c[nH]c(C)c1C;YCKYYZCCIAAXPB-UHFFFAOYSA-N;133.19;1.81;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC5_SN0";;;;;;;1.94;;0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM415946;MM415946;Nn1ccc(CF)nc1=O;JPNMYUUIRZVTFO-UHFFFAOYSA-N;143.12;-0.57;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP2_SNa";;;;;;;-0.24;;-3.24;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM415947;MM415947;CC=CC(=O)N(C)C=NN;ZMYIDBHXBBGESU-UHFFFAOYSA-N;141.17;-0.08;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4_P5";;;;;;;0.22;;-2.65;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM415948;MM415948;C#CC(=CC)C(C)ON=C;AIMGFEVVEOBTHF-UHFFFAOYSA-N;137.18;1.59;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4_Na";;;;;;;2.2;;0.34;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM415949;MM415949;C=Cc1cn(C=CC)nn1;SCHQEANBOBDUNE-UHFFFAOYSA-N;135.17;1.41;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNa_SP1";;;;;;;0.04;;-2.54;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM415950;MM415950;CNN=c1oc(O)c(O)o1;BFGMLAIDJUOJFQ-UHFFFAOYSA-N;146.1;-0.68;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_SP3";;;;;;;-2.2;;-9.53;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM415951;MM415951;COC=CCON=CCF;RABXATRMPQKHKF-UHFFFAOYSA-N;147.15;1.12;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_Na";;;;;;;0.87;;-2.22;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM415952;MM415952;CC=C(CC)COC=NO;KCWIQHLOOBNZQW-UHFFFAOYSA-N;143.19;1.78;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1_P2";;;;;;;1.8;;0.4;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM415953;MM415953;O=CC12CC1NC(CF)=N2;DTPMJJDPYDIQPT-UHFFFAOYSA-N;142.13;-0.33;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNda_SP2";;;;;;;-0.24;;-3.31;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM415954;MM415954;CC=Cn1cc(C=O)nn1;CBCANYLAICYNEL-UHFFFAOYSA-N;137.14;0.58;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNa_SP1";;;;;;;0.04;;-2.54;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM415955;MM415955;C#CC(=CF)C(C)ON=C;CDNXFWBUCFWZSA-UHFFFAOYSA-N;141.15;1.49;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_C5";;;;;;;1.64;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM415956;MM415956;N#CC(CC(=O)O)NC=O;IMKFMDDBMNLVPW-UHFFFAOYSA-N;142.11;-0.9;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_P2";;;;;;;-1.06;;-8.65;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM415957;MM415957;CCCCC1C(C)C1(C)O;ZXNIBOHPACSVKY-UHFFFAOYSA-N;142.24;2.19;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1_SNda";;;;;;;2.91;;0.57;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM415958;MM415958;C#CCc1c[nH]c(O)c1C;SZWBQCPMCIBVAP-UHFFFAOYSA-N;135.17;1.2;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNda_SN0";;;;;;;1.17;;-1.13;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM415959;MM415959;CN(N)C(=O)C(CF)=NN;BDIVPSPSTGUOHT-UHFFFAOYSA-N;148.14;-1.4;;;;;DOPC;MDCG;27;0;"MARTINI bead: P3_Na";;;;;;;-1.1;;-4.2;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM415960;MM415960;CC=Cn1cc(C#N)nn1;DXDNSRAHHILJPB-UHFFFAOYSA-N;134.14;0.64;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNa_SP1";;;;;;;0.04;;-2.54;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM415961;MM415961;C#CC(=NN)C(C)OC=C;FJKDTTLIGLAFQW-UHFFFAOYSA-N;138.17;0.48;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_P1";;;;;;;0.81;;-0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM415962;MM415962;C#CCc1c[nH]c(F)c1C;VYVWTPWEDAQKMH-UHFFFAOYSA-N;137.16;1.64;;;;;DOPC;MDCG;27;0;"MARTINI bead: SN0_SN0";;;;;;;1.47;;-0.05;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM415963;MM415963;N#CC(C=NO)CC(=O)O;ZCVAYRABTBMFDI-UHFFFAOYSA-N;142.11;0.06;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_P1";;;;;;;-0.79;;-8.16;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM415964;MM415964;OCC(=CF)COC=NO;QFMLIWRNJHOKBL-UHFFFAOYSA-N;149.12;0.27;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda_P2";;;;;;;-0.24;;-3.31;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM415965;MM415965;C=CC12CC1N=C(NN)N2;WQZCBYNFZGZGKI-UHFFFAOYSA-N;138.17;-0.89;;;;;DOPC;MDCG;27;1;"MARTINI bead: SP2_SP1";;;;;;;-1.06;;-6.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM415966;MM415966;CC1C(=O)CN2C1C2(C)C;GDFKDMQSYZVZOB-UHFFFAOYSA-N;139.2;0.67;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP2_SNd";;;;;;;-0.24;;-3.16;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM415967;MM415967;C=Cc1ccn(C=CC)n1;NJLDFOJFZGLDKL-UHFFFAOYSA-N;134.18;2.02;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNa_SN0";;;;;;;1.17;;-1.18;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM415968;MM415968;C=NN=CCON=CCF;AOIUGPVZHQXAOM-UHFFFAOYSA-N;145.14;0.64;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_C5";;;;;;;0.81;;-0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM415969;MM415969;COc1ccn(C)c(=N)n1;QQDNGTWKFZRKAY-UHFFFAOYSA-N;139.16;-0.09;;;;;DOPC;MDCG;27;1;"MARTINI bead: SNa_SNd";;;;;;;0.87;;-6.37;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM415971;MM415971;C=CC12CC1N=C(NO)N2;MNTLPUPUZVMRBF-UHFFFAOYSA-N;139.16;-0.38;;;;;DOPC;MDCG;27;1;"MARTINI bead: SP2_SP1";;;;;;;-1.06;;-5.47;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM415970;MM415970;CC1C(CCCF)C1(C)O;OSOJWIGDDKVTFK-UHFFFAOYSA-N;146.21;1.75;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4_SNda";;;;;;;2.2;;0.49;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM415972;MM415972;C#CC(=NO)N(O)CC=C;GHAOYSWRAROZKA-UHFFFAOYSA-N;140.14;0.28;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_N0";;;;;;;0.34;;-1.53;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM415973;MM415973;CC=Cn1ccc(C=O)n1;XOKOUSGMOPQJQN-UHFFFAOYSA-N;136.15;1.19;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNa_SP1";;;;;;;0.04;;-2.54;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM415974;MM415974;C#CCc1c[nH]c(O)c1O;KWUONZGZJLDXAT-UHFFFAOYSA-N;137.14;0.6;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNda_SNda";;;;;;;0.87;;-2.07;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM415975;MM415975;COc1ccn(N)c(=N)n1;NTWDUHFOHRRDAM-UHFFFAOYSA-N;140.15;-0.92;;;;;DOPC;MDCG;27;1;"MARTINI bead: SNa_SP2";;;;;;;-0.24;;-5.47;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM415976;MM415976;O=CC12CC1N=C(NO)N2;LQCVPBOQNHLSDN-UHFFFAOYSA-N;141.13;-1.37;;;;;DOPC;MDCG;27;1;"MARTINI bead: SP2_SP2";;;;;;;-1.34;;-5.33;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM415977;MM415977;CC=C(CF)COC=NO;MOTLIWWMBZCKJI-UHFFFAOYSA-N;147.15;1.34;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4_P2";;;;;;;1.09;;-0.38;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM415978;MM415978;C#CC(=NC)N(C)NC=N;BUCISULGQCQGDC-UHFFFAOYSA-N;138.17;-0.31;;;;;DOPC;MDCG;27;1;"MARTINI bead: N0_P4";;;;;;;-0.88;;-5.73;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM415979;MM415979;CC=Cn1ccc(C#N)n1;HPXJBUIJHFPODJ-UHFFFAOYSA-N;133.15;1.25;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNa_SP1";;;;;;;0.04;;-2.54;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM415980;MM415980;C#CCc1coc(C)c1C;UJYWFMIZBIKYPW-UHFFFAOYSA-N;134.18;2.07;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC5_SC5";;;;;;;2.41;;0.64;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM415981;MM415981;COc1ccn(O)c(=N)n1;CPSZMGNBKXEMMN-UHFFFAOYSA-N;141.13;-0.39;;;;;DOPC;MDCG;27;1;"MARTINI bead: SNa_SP2";;;;;;;-0.24;;-5.01;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM415982;MM415982;CC=NOCC(=CC)CC;AQUVPSXPIPEHFX-UHFFFAOYSA-N;141.21;2.37;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1_P1";;;;;;;2.08;;0.48;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM415983;MM415983;C#CC=NNC(=N)C(=C)F;LRFJCROHHMMYJR-UHFFFAOYSA-N;139.13;0.66;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_Nd";;;;;;;1.64;;0.02;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM415984;MM415984;C#CC(=NN)N(C)NC=N;MEUYLJHMVPHLIT-UHFFFAOYSA-N;139.16;-1.06;;;;;DOPC;MDCG;27;1;"MARTINI bead: P3_Nd";;;;;;;-1.1;;-5.94;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM415985;MM415985;CC=Nn1ccc(C=O)n1;NEDGWXDFFPIDMK-UHFFFAOYSA-N;137.14;0.55;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNa_SP1";;;;;;;0.04;;-2.54;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM415986;MM415986;C#CCc1coc(N)c1C;OXWGWAZHHBYVSS-UHFFFAOYSA-N;135.17;1.35;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNd_SC5";;;;;;;1.64;;0.02;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM415987;MM415987;CC=NOCC(=CC)CN;IRZDFKZAXWSXFU-UHFFFAOYSA-N;142.2;0.91;;;;;DOPC;MDCG;27;1;"MARTINI bead: Na_Nd";;;;;;;0.87;;-4.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM415988;MM415988;COc1ccn(C)c(=O)n1;OKKDJPCAKBHZBZ-UHFFFAOYSA-N;140.14;-0.21;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNa_SP1";;;;;;;0.04;;-2.54;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM415989;MM415989;C=CC12CC1C=C(CC)O2;XBDIIPHNPRSSHN-UHFFFAOYSA-N;136.19;2.26;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC5_SC5";;;;;;;2.41;;0.64;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM415990;MM415990;C#CCc1coc(F)c1C;NZKHEZBWCDRTLZ-UHFFFAOYSA-N;138.14;1.9;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC5_SC5";;;;;;;2.41;;0.64;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM415991;MM415991;C=NNC(=NOC)OCC;PWKPSCCXFZXQBL-UHFFFAOYSA-N;145.16;0.15;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_P1";;;;;;;0.81;;-0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM415992;MM415992;CC=Nn1ccc(C#N)n1;WBDJCWRSYJORKX-UHFFFAOYSA-N;134.14;0.61;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNa_SP1";;;;;;;0.04;;-2.54;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM415993;MM415993;C=NNC=CC(=O)CCC;AZRQHNASYPTHHF-UHFFFAOYSA-N;140.19;1.07;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_Nd";;;;;;;1.64;;0.02;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM415994;MM415994;COc1ccn(N)c(=O)n1;BRHTUENFFIKKKJ-UHFFFAOYSA-N;141.13;-1.03;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNa_SP2";;;;;;;-0.24;;-3.24;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM415995;MM415995;C=CC12CC1C=C(CN)O2;OWFSUGKORBMLTE-UHFFFAOYSA-N;137.18;0.8;;;;;DOPC;MDCG;27;1;"MARTINI bead: SP2_SC5";;;;;;;0.54;;-2.53;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM415996;MM415996;C=Cc1ncn(C=CC)n1;UVIMSZBKAXGGSN-UHFFFAOYSA-N;135.17;1.41;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNa_SNa";;;;;;;0.87;;-2.22;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM415997;MM415997;C#CC(=NO)N(C)NC=O;FCYSOHXGAYBHKT-UHFFFAOYSA-N;141.13;-1;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_P2";;;;;;;-1.06;;-3.82;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM415998;MM415998;C#CCc1coc(C)c1N;NXASETMTDBSYIT-UHFFFAOYSA-N;135.17;1.35;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNd_SC5";;;;;;;1.64;;0.02;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM415999;MM415999;C#CC(C=C)C(C)C(C)O;GUTNFQAEEMHRBY-UHFFFAOYSA-N;138.21;1.44;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda_C5";;;;;;;1.64;;0.05;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM416000;MM416000;C#CC1(C)NC1C(=O)O;QATICYRCNQPTNH-UHFFFAOYSA-N;125.13;-0.57;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP1_P1";;;;;;;-0.79;;-8.16;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM416001;MM416001;C=CC12CC1C=C(CO)O2;CMRKULAGGJPSIN-UHFFFAOYSA-N;138.17;0.84;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP1_SC5";;;;;;;0.81;;-0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM416002;MM416002;CC=Cn1cnc(C=O)n1;LLNRAYJFHPDTOE-UHFFFAOYSA-N;137.14;0.58;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNa_SP2";;;;;;;-0.24;;-3.24;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM416003;MM416003;C#CC(=NC)N(C)OC=O;DQJDCBQDUVLUHL-UHFFFAOYSA-N;140.14;-0.33;;;;;DOPC;MDCG;27;0;"MARTINI bead: N0_P1";;;;;;;0.34;;-1.53;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM416004;MM416004;CC=CC1=CCC(C)=C1C;GFISYKUVNQMCPB-UHFFFAOYSA-N;134.22;3.23;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC3_SC3";;;;;;;4.27;;0.2;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM416005;MM416005;CC=NOCC(=CC)CF;XXKNZDIPXPXZPT-UHFFFAOYSA-N;145.18;1.92;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_C4";;;;;;;2.2;;0.34;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM416006;MM416006;CCc1ncn(C)c(=N)n1;USZUUSJYPWCRRU-UHFFFAOYSA-N;138.17;-0.14;;;;;DOPC;MDCG;27;1;"MARTINI bead: SNa_SP3";;;;;;;-1.1;;-5.91;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM416007;MM416007;C=CC12CC1C=C(CF)O2;RWZZMNFBQGOZLI-UHFFFAOYSA-N;140.16;1.81;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNa_SC5";;;;;;;1.64;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM416008;MM416008;CC=Cn1cnc(C#N)n1;UXCUJRVJWCBQNW-UHFFFAOYSA-N;134.14;0.64;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNa_SP1";;;;;;;0.04;;-2.54;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM416009;MM416009;CC=CC1=CCC(F)=C1C;AKGPETMZNSIWFN-UHFFFAOYSA-N;138.19;3.14;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC3_SC5";;;;;;;3.34;;0.48;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM416010;MM416010;C=CCc1nc(N)n(N)n1;YFQAKXMEFMTXGX-UHFFFAOYSA-N;139.16;-0.7;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNa_SP2";;;;;;;-0.24;;-3.24;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM416011;MM416011;Cn1cnc(CN)nc1=N;XDIVOVPKQMBWIW-UHFFFAOYSA-N;139.16;-1.25;;;;;DOPC;MDCG;27;1;"MARTINI bead: SP3_SP2";;;;;;;-2.2;;-6.63;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM416012;MM416012;CC=COCC(CC)=NN;DJFGRCXEESFQJZ-UHFFFAOYSA-N;142.2;1.26;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nd_C5";;;;;;;1.64;;0.02;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM416013;MM416013;CCC1=CC2CC2(C=O)O1;YWSWHIDOGVUEEH-UHFFFAOYSA-N;138.17;1.27;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC5_SNa";;;;;;;1.64;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM416014;MM416014;CC=Cc1c[nH]c(F)c1C;QXROBBDWDGSFTE-UHFFFAOYSA-N;139.17;2.5;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC5_SN0";;;;;;;1.94;;0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM416015;MM416015;C=Cc1cnn(C=CC)n1;GAALVRKXZYWXFF-UHFFFAOYSA-N;135.17;1.41;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNa_SP1";;;;;;;0.04;;-2.54;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM416016;MM416016;C#CCN(C)C(C#C)=NO;BGIBERZAAYXJPT-UHFFFAOYSA-N;136.15;-0.03;;;;;DOPC;MDCG;27;0;"MARTINI bead: N0_P1";;;;;;;0.34;;-1.53;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM416017;MM416017;CCC(COC=CF)=NN;FENPDPVQCSOVCH-UHFFFAOYSA-N;146.17;1.17;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nd_N0";;;;;;;1.17;;-1.04;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM416018;MM416018;Cn1cnc(CO)nc1=N;DERSIEGQZGCTSX-UHFFFAOYSA-N;140.15;-1.21;;;;;DOPC;MDCG;27;1;"MARTINI bead: SP3_SP2";;;;;;;-2.2;;-6.39;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM416019;MM416019;CCC1=CC2CC2(C#N)O1;ASYBGNAPZBLVDJ-UHFFFAOYSA-N;135.17;1.59;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC5_SN0";;;;;;;1.94;;0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM416020;MM416020;CC=Cc1c[nH]c(O)c1N;CJKPNWXVQWBRKB-UHFFFAOYSA-N;138.17;1.34;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC5_SP1";;;;;;;0.81;;-0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM416021;MM416021;CC=Cn1ncc(C=O)n1;FSYLSDCTRAXOCG-UHFFFAOYSA-N;137.14;0.58;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNa_SP1";;;;;;;0.04;;-2.54;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM416022;MM416022;C#CCN(O)C(C#C)=NO;QYGKJVLZFLOKPJ-UHFFFAOYSA-N;138.13;-0.27;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_N0";;;;;;;0.34;;-1.53;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM416023;MM416023;CC=COCC(CC)=NO;COPLBLZMKFQRNA-UHFFFAOYSA-N;143.19;1.78;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda_C5";;;;;;;1.64;;0.05;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM416024;MM416024;Cn1cnc(CF)nc1=N;ZOOCBSWHBMMBCN-UHFFFAOYSA-N;142.14;-0.24;;;;;DOPC;MDCG;27;1;"MARTINI bead: SP3_SP1";;;;;;;-1.93;;-5.83;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM416025;MM416025;O=CC12CC1C=C(CO)O2;UGFYLJKPTMXYAN-UHFFFAOYSA-N;140.14;-0.15;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP1_SNa";;;;;;;0.04;;-2.54;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM416026;MM416026;C=C(CCF)C(=CF)CC;PZTOXPKDLDVAPV-UHFFFAOYSA-N;146.18;3.17;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1_C5";;;;;;;3.68;;0.46;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM416027;MM416027;CC=Cc1c[nH]c(F)c1N;ITPLTOFZGBPRNE-UHFFFAOYSA-N;140.16;1.77;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC5_SNda";;;;;;;1.64;;0.05;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM416028;MM416028;CC=Cn1ncc(C#N)n1;VFEWHDMRUGSDFI-UHFFFAOYSA-N;134.14;0.64;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNa_SP1";;;;;;;0.04;;-2.54;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM416029;MM416029;C=NNC(=NOC)C(=C)F;HVCBVFDQNDRNAT-UHFFFAOYSA-N;145.14;0.63;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_C5";;;;;;;0.81;;-0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM416030;MM416030;N=c1nc(CF)ncn1N;SMRUEAWPNGTATG-UHFFFAOYSA-N;143.13;-1.06;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP3_SP1";;;;;;;-1.93;;-4.72;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM416031;MM416031;N#CC12CC1C=C(CO)O2;LCBNWWWPVAIHOE-UHFFFAOYSA-N;137.14;0.18;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP1_SN0";;;;;;;0.34;;-1.53;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM416032;MM416032;C=C(CCO)C(=CC)CN;HTJDTFLYGCHARR-UHFFFAOYSA-N;141.21;0.83;;;;;DOPC;MDCG;27;1;"MARTINI bead: C5_P1";;;;;;;0.81;;-2.68;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM416033;MM416033;CC=Cc1coc(N)c1C;QVIWSHFJHWCUKQ-UHFFFAOYSA-N;137.18;2.2;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC4_SNd";;;;;;;2.2;;0.32;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM416034;MM416034;C=Cc1nnn(C=CC)n1;AXASVPINRAWCII-UHFFFAOYSA-N;136.16;0.81;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNa_SP1";;;;;;;0.04;;-2.54;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM416035;MM416035;CC=CC1=CC(C)C(O)C1;LQJJIVRTTOYAGR-UHFFFAOYSA-N;138.21;1.89;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC2_SNda";;;;;;;2.83;;0.57;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM416036;MM416036;C=C(C#N)CNN=CC;GREGAULAOVDZLR-UHFFFAOYSA-N;123.16;0.66;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nd_N0";;;;;;;1.17;;-1.04;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM416037;MM416037;O=CC12CC1C=C(CF)O2;BHRAYVURPKPSHE-UHFFFAOYSA-N;142.13;0.83;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNa_SNa";;;;;;;0.87;;-2.22;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM416038;MM416038;C=C(CCF)C(=CC)CN;RWBUUGVULJTPTK-UHFFFAOYSA-N;143.21;1.81;;;;;DOPC;MDCG;27;1;"MARTINI bead: C4_Na";;;;;;;2.2;;-1.47;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM416039;MM416039;CC=Cc1coc(F)c1N;YEUUWNIBSRWCKM-UHFFFAOYSA-N;141.15;2.03;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC4_SNda";;;;;;;2.2;;0.49;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM416040;MM416040;CC=Cn1nnc(C=O)n1;PZTYWPCIFJNGOO-UHFFFAOYSA-N;138.13;-0.02;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNa_SP1";;;;;;;0.04;;-2.54;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM416041;MM416041;COC(=NCC(=O)O)NN;UNMMVOAHGLNCIQ-UHFFFAOYSA-N;147.13;-1.46;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_P1";;;;;;;-1.06;;-8.44;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM416042;MM416042;C=CC(C(C)C)C(C)O;MFXCFZMZJLSCLR-UHFFFAOYSA-N;128.22;1.83;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1_P1";;;;;;;2.08;;0.48;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM416043;MM416043;N#CC12CC1C=C(CF)O2;ZIUWRIOWMISUND-UHFFFAOYSA-N;139.13;1.15;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNa_SN0";;;;;;;1.17;;-1.18;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM416044;MM416044;C=C(CCN)C(=CF)CN;IPIXCGLXXMUMIO-UHFFFAOYSA-N;144.19;0.7;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nda_P2";;;;;;;-0.24;;-6.12;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM416045;MM416045;CC=Cn1nnc(C#N)n1;GJNZYFYGOHSIAV-UHFFFAOYSA-N;135.13;0.04;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNa_SP1";;;;;;;0.04;;-2.54;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM416046;MM416046;CC#CC1=CCC(C)=C1C;VKNPYTRAOBMJDA-UHFFFAOYSA-N;132.21;2.68;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC4_SC3";;;;;;;3.9;;0.47;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM416047;MM416047;C=C1CC(O)C(C)C1=C;UXVYVACOIAFOOU-UHFFFAOYSA-N;124.18;1.5;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNda_SC3";;;;;;;2.57;;0.44;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM416048;MM416048;N#Cc1c[nH]n(O)c1=O;YLSPOJSAXIWBTF-UHFFFAOYSA-N;125.09;-0.71;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP2_SP1";;;;;;;-1.06;;-8.45;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM416049;MM416049;CN(C)C(=O)N(C)C=NN;VKGWKHIZSNHMMC-UHFFFAOYSA-N;144.18;-0.5;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_P1";;;;;;;-1.06;;-3.82;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM416050;MM416050;C=C(CCO)C(=CF)CN;DFXRABHFTSSIOI-UHFFFAOYSA-N;145.18;0.74;;;;;DOPC;MDCG;27;1;"MARTINI bead: C5_P3";;;;;;;-0.33;;-4.1;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM416051;MM416051;CC#CC1=CCC(F)=C1C;UNVSJUMNYYLMMD-UHFFFAOYSA-N;136.17;2.58;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC4_SC5";;;;;;;2.97;;0.45;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM416052;MM416052;C#Cc1ccn(C=CC)c1;KCEVNNAASZGJFQ-UHFFFAOYSA-N;131.18;1.96;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC4_SN0";;;;;;;2.5;;0.44;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM416053;MM416053;CC=Nn1oc(N)nc1=N;WVBIEBBVCRCNOS-UHFFFAOYSA-N;141.13;-0.61;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP2_SP1";;;;;;;-1.06;;-3.82;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM416054;MM416054;CCc1ncn(C)c(=O)n1;JSPOGYOHCWFUDV-UHFFFAOYSA-N;139.16;-0.26;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNa_SP3";;;;;;;-1.1;;-4.2;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM416055;MM416055;C=C(CCF)C(=CF)CN;HZCVAKFJBLSKQB-UHFFFAOYSA-N;147.17;1.71;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1_C5";;;;;;;0.81;;-2.6;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM416056;MM416056;CN=NC(=CNN)OC=O;CBXYMJNEVUOHLE-UHFFFAOYSA-N;144.13;-0.5;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_P3";;;;;;;-0.33;;-2.01;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM416057;MM416057;CC#Cc1c[nH]c(C)c1C;PPXWQASHMICCAK-UHFFFAOYSA-N;133.19;2;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC5_SNd";;;;;;;1.64;;0.02;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM416058;MM416058;C#Cc1ccn(C=NC)c1;RKERIGZJGVKNPX-UHFFFAOYSA-N;132.17;0.98;;;;;DOPC;MDCG;27;1;"MARTINI bead: SN0_SN0";;;;;;;1.47;;-2.12;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM416059;MM416059;Cn1cnc(CO)nc1=O;QQVGGKDKDIXBDF-UHFFFAOYSA-N;141.13;-1.33;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP3_SP2";;;;;;;-2.2;;-5.19;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM416060;MM416060;NN=C(CO)COC=NO;PSWIUEZDONGKGP-UHFFFAOYSA-N;147.13;-1.27;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_P2";;;;;;;-1.34;;-4.31;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM416061;MM416061;C=C1CC(C)C(O)CC1=C;IFKNPISNHIVZBS-UHFFFAOYSA-N;138.21;1.89;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC3_SC5";;;;;;;3.34;;0.48;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM416062;MM416062;CC1CC1CC1(O)CC1C;FBKXMEOBSZEOEL-UHFFFAOYSA-N;140.23;1.8;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC5_SNda";;;;;;;1.64;;0.05;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM416063;MM416063;C#CC=CCON=CCF;ALUQQIPVBSAIOV-UHFFFAOYSA-N;141.15;1.15;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_C4";;;;;;;1.37;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM416064;MM416064;C#Cc1ccn(N=CC)c1;QOTNDUOZTIUFQC-UHFFFAOYSA-N;132.17;1.32;;;;;DOPC;MDCG;27;1;"MARTINI bead: SC5_SN0";;;;;;;1.94;;-0.33;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM416065;MM416065;Cn1cnc(CF)nc1=O;OZQLFWOLFOBBDY-UHFFFAOYSA-N;143.12;-0.36;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP3_SP1";;;;;;;-1.93;;-4.72;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM416066;MM416066;O=CNC=C(C=O)C(=O)O;VUWFDWWZIRBJNL-UHFFFAOYSA-N;143.1;-1.1;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda_P3";;;;;;;-1.1;;-8.28;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM416067;MM416067;C=C(CCN)C(=CC)CO;DKXSAPKURQMKCK-UHFFFAOYSA-N;141.21;0.83;;;;;DOPC;MDCG;27;1;"MARTINI bead: C5_P1";;;;;;;0.81;;-3.23;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM416068;MM416068;C=CC12CC(CC)=CC1N2;WFZZSFUYNVTRGP-UHFFFAOYSA-N;135.21;1.62;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC2_SNd";;;;;;;2.83;;0.63;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM416069;MM416069;C#Cc1cn(C=CC)cn1;RRPFTVSJUVVHRU-UHFFFAOYSA-N;132.17;1.36;;;;;DOPC;MDCG;27;0;"MARTINI bead: SN0_SNa";;;;;;;1.17;;-1.18;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM416070;MM416070;CC#Cc1c[nH]c(O)c1C;VBSIAKDWEFNDPM-UHFFFAOYSA-N;135.17;1.4;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC5_SNda";;;;;;;1.64;;0.05;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM416071;MM416071;O=C(O)n1ncccc1=O;IJMSGZXJPRPLFY-UHFFFAOYSA-N;140.1;-0.23;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP4_SP1";;;;;;;-2.01;;-9.01;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM416072;MM416072;CCc1ncn(N)c(=O)n1;GWRCYSAGQIBYIK-UHFFFAOYSA-N;140.15;-1.09;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNa_SP4";;;;;;;-1.19;;-4.76;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM416073;MM416073;C=CC12CC(CN)=CC1N2;JPWNJCYFJXEVND-UHFFFAOYSA-N;136.2;0.17;;;;;DOPC;MDCG;27;1;"MARTINI bead: SNd_SNd";;;;;;;0.87;;-4.36;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM416074;MM416074;CCCC(=O)C(=CF)CC;SNOYCMXQQAXFTD-UHFFFAOYSA-N;144.19;2.62;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_C3";;;;;;;3.34;;0.48;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM416075;MM416075;CC#Cc1c[nH]c(F)c1C;NHZCTAIJWQUKKW-UHFFFAOYSA-N;137.16;1.83;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC5_SN0";;;;;;;1.94;;0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM416076;MM416076;C#Cc1cnn(C=CC)c1;NJHSXQKRMBJGON-UHFFFAOYSA-N;132.17;1.36;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNa_SP1";;;;;;;0.04;;-2.54;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM416077;MM416077;CC=NOCC(CC)=NN;IARBDBWCGVMSBC-UHFFFAOYSA-N;143.19;0.73;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nd_Na";;;;;;;0.87;;-1.88;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM416078;MM416078;CNc1nn(C)c(=N)o1;XUGCWPPWOVGGJK-UHFFFAOYSA-N;128.14;-0.47;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP1_SP3";;;;;;;-1.93;;-4.72;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM416079;MM416079;CN(C=N)N=C(C#N)CF;PWDRHJNFXQAREF-UHFFFAOYSA-N;142.14;0.37;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_Na";;;;;;;0.04;;-2.54;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM416080;MM416080;CCC(C)C(C)(C)O;YRSIFCHKXFKNME-UHFFFAOYSA-N;116.2;1.8;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1_Nda";;;;;;;2.91;;0.57;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM416081;MM416081;NC=C(CF)C(=O)CCF;KRPJEQAMLVHONB-UHFFFAOYSA-N;149.14;0.73;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda_P1";;;;;;;0.04;;-2.73;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM416082;MM416082;C#Cc1cnn(C=NC)c1;BSTTUIQCEPVFBE-UHFFFAOYSA-N;133.15;0.37;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNa_SP1";;;;;;;0.04;;-2.54;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM416083;MM416083;CC=COCC(=NC)NC;PLKWZHJWGILVMH-UHFFFAOYSA-N;142.2;0.78;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1_C5";;;;;;;0.81;;-3.78;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM416084;MM416084;Nn1cnc(CF)nc1=O;WXERNIQORBMVHA-UHFFFAOYSA-N;144.11;-1.18;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP4_SP1";;;;;;;-2.01;;-5.13;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM416085;MM416085;C=CC12CC(CF)=CC1N2;XCGAMLIILAOGQL-UHFFFAOYSA-N;139.17;1.18;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC5_SNd";;;;;;;1.64;;0.03;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM416086;MM416086;C=C(CNC)C(=CC)CC;YCUJUNGNAQEADD-UHFFFAOYSA-N;139.24;2.12;;;;;DOPC;MDCG;27;1;"MARTINI bead: C1_P1";;;;;;;2.08;;-0.73;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM416087;MM416087;C#Cc1cn(C=CC)nn1;SCSLIMPKANHGRZ-UHFFFAOYSA-N;133.15;0.75;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNa_SP1";;;;;;;0.04;;-2.54;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM416088;MM416088;CC#Cc1c[nH]c(O)c1N;LLEDFEPFPUGDLH-UHFFFAOYSA-N;136.15;0.67;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNd_SNda";;;;;;;0.87;;-1.92;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM416089;MM416089;CN=C(COC=CF)NC;CGTDSXHJBSGOHF-UHFFFAOYSA-N;146.17;0.69;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_Na";;;;;;;0.87;;-5.19;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM416090;MM416090;N=CN(CC(=O)O)OC=O;WDWRUJWZQRFSTK-UHFFFAOYSA-N;146.1;-0.93;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_P2";;;;;;;-1.06;;-8.65;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM416091;MM416091;CCC1=CC2NC2(C=O)C1;UAFLWVQWAPXSCP-UHFFFAOYSA-N;137.18;0.64;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC2_SP1";;;;;;;2;;0.3;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM416092;MM416092;C=C(CNC)C(=CF)CC;XUEPYFIWIVYCNQ-UHFFFAOYSA-N;143.21;2.03;;;;;DOPC;MDCG;27;1;"MARTINI bead: C1_P1";;;;;;;2.08;;-0.73;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM416093;MM416093;CC#Cc1c[nH]c(F)c1N;SBHGRELUFXIIDG-UHFFFAOYSA-N;138.15;1.11;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC5_SNda";;;;;;;1.64;;0.05;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM416094;MM416094;C#Cc1cn(N=CC)nn1;XJDQEPWCHHPDEC-UHFFFAOYSA-N;134.14;0.11;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNa_SP1";;;;;;;0.04;;-2.54;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM416095;MM416095;CN=C(COC=CF)NN;VDKBPIDIZGDAJY-UHFFFAOYSA-N;147.15;-0.06;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_Na";;;;;;;0.87;;-3.49;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM416096;MM416096;CCC1=CC2NC2(C#N)C1;ZNKMSUYRDDWULH-UHFFFAOYSA-N;134.18;0.96;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC2_SP1";;;;;;;2;;0.29;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM416097;MM416097;CNc1ncn(C)c(=N)n1;MGXGZEBNWZAOEH-UHFFFAOYSA-N;139.16;-0.66;;;;;DOPC;MDCG;27;1;"MARTINI bead: SNda_SP3";;;;;;;-1.1;;-7.28;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM416098;MM416098;CC#Cc1c[nH]c(N)c1O;FHAOXRIHFBXRFY-UHFFFAOYSA-N;136.15;0.67;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC5_SP1";;;;;;;0.81;;-0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM416099;MM416099;C#Cc1ccn(C=CC)n1;SNLUXOPMLWVDTF-UHFFFAOYSA-N;132.17;1.36;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNa_SP1";;;;;;;0.04;;-2.54;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM416100;MM416100;C=C(CNC)C(=CF)CN;GPZPBSVPXYEXNI-UHFFFAOYSA-N;144.19;0.57;;;;;DOPC;MDCG;27;1;"MARTINI bead: P2_Na";;;;;;;-0.24;;-5.76;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM416101;MM416101;CNc1ncn(N)c(=N)n1;INXOMUDRGPONOB-UHFFFAOYSA-N;140.15;-1.49;;;;;DOPC;MDCG;27;1;"MARTINI bead: SNda_SP3";;;;;;;-1.1;;-6.61;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM416103;MM416103;CCC(O)CC(CC)CC;LIQZCQYEMARHFR-UHFFFAOYSA-N;144.26;2.58;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda_C1";;;;;;;2.91;;0.57;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM416102;MM416102;C#CC1(C#N)CC(C)=NN1;VZQUDIKYMSNFBX-UHFFFAOYSA-N;133.15;0.25;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP1_SNd";;;;;;;0.04;;-2.63;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM416104;MM416104;C#Cc1ccn(N=CC)n1;LUFIFRNYNUXUNX-UHFFFAOYSA-N;133.15;0.72;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNa_SP1";;;;;;;0.04;;-2.54;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM416105;MM416105;C=C(CNC)C(=CF)CO;ZAANPQPNXLLOBH-UHFFFAOYSA-N;145.18;0.61;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1_Nda";;;;;;;0.04;;-4.76;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM416106;MM416106;CC#Cc1c[nH]c(O)c1O;GZNYHCOYHVFHCR-UHFFFAOYSA-N;137.14;0.8;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNda_SNda";;;;;;;0.87;;-2.07;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM416107;MM416107;C#CC(C=C)CC(O)CC;TWCSMYBYKGPVIG-UHFFFAOYSA-N;138.21;1.58;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda_C4";;;;;;;2.2;;0.49;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM416108;MM416108;C=Cc1nc(N)n(N)n1;VOJRAEGPYNNTKY-UHFFFAOYSA-N;125.14;-0.78;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP2_SNa";;;;;;;-0.24;;-3.24;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM416109;MM416109;CCC(=O)N(N)C(C)=NN;RFPLNBUSLBPIOT-UHFFFAOYSA-N;144.18;-0.61;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_Nd";;;;;;;-0.24;;-3.16;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM416110;MM416110;CC#Cc1coc(C)c1C;FQVWVQGAHFBDCC-UHFFFAOYSA-N;134.18;2.27;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC4_SC5";;;;;;;2.97;;0.45;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM416111;MM416111;C#Cc1ncn(C=CC)n1;WUXTXDSALRAHAJ-UHFFFAOYSA-N;133.15;0.75;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNa_SP1";;;;;;;0.04;;-2.54;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM416112;MM416112;C=C(CNC)C(=CC)CF;LXCGHZOYCKINRW-UHFFFAOYSA-N;143.21;1.68;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1_C3";;;;;;;1.74;;-1.66;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM416113;MM416113;CC=COCC(=CC)OC;IXHSFSHIZNXSPN-UHFFFAOYSA-N;142.2;2.09;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_C5";;;;;;;2.41;;0.64;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM416114;MM416114;Cn1oc(=O)c(=NN)o1;VNJRBIRDOJJGOI-UHFFFAOYSA-N;131.09;-1.65;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP1_SP1";;;;;;;-0.79;;-3.13;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM416115;MM416115;O=CC12CC(CF)=CC1N2;BWUFSSGNPKAFPK-UHFFFAOYSA-N;141.15;0.2;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC5_SP1";;;;;;;0.81;;-0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM416116;MM416116;CC#Cc1coc(C)c1N;BIKCBRRXQLEZEP-UHFFFAOYSA-N;135.17;1.54;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNd_SC5";;;;;;;1.64;;0.02;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM416117;MM416117;C#Cc1cnn(C=CC)n1;QIUCQNYSEHKFIE-UHFFFAOYSA-N;133.15;0.75;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNa_SP1";;;;;;;0.04;;-2.54;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM416118;MM416118;CCC(=CF)C(=O)CNC;WYBOIDLMSJYYPE-UHFFFAOYSA-N;145.18;1.04;;;;;DOPC;MDCG;27;1;"MARTINI bead: C5_P1";;;;;;;0.81;;-1.54;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM416119;MM416119;CC=C(COC=CF)OC;XPLJDHXZCMIXCK-UHFFFAOYSA-N;146.16;1.99;;;;;DOPC;MDCG;27;0;"MARTINI bead: C3_Na";;;;;;;2.57;;0.45;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM416120;MM416120;O=c1c(O)c(O)[nH]n1O;IIUPWUUTZDIYNP-UHFFFAOYSA-N;132.08;-1.18;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP2_SP2";;;;;;;-1.34;;-9.18;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM416121;MM416121;N#CC12CC(CF)=CC1N2;XTMYQTBVSGDAQD-UHFFFAOYSA-N;138.15;0.52;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC5_SP1";;;;;;;0.81;;-0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM416122;MM416122;CC#Cc1coc(N)c1N;XZJKDQBIPAPQOU-UHFFFAOYSA-N;136.15;0.82;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNd_SNd";;;;;;;0.87;;-2.11;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM416123;MM416123;C#Cc1nnn(C=CC)n1;QJQJHQGASGLNAC-UHFFFAOYSA-N;134.14;0.15;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNa_SP1";;;;;;;0.04;;-2.54;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM416124;MM416124;CC=COCC(=CF)OC;NVTLZVLIQKDVBI-UHFFFAOYSA-N;146.16;1.99;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_Na";;;;;;;1.64;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM416125;MM416125;CC=C(CO)C(=O)COC;GTLSSRTWZPLSKF-UHFFFAOYSA-N;144.17;0.14;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_Nda";;;;;;;0.04;;-2.73;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM416126;MM416126;COc1ncn(N)c(=N)n1;HKMFKQAAIAHBQT-UHFFFAOYSA-N;141.13;-1.52;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNa_SP3";;;;;;;-1.1;;-4.2;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM416127;MM416127;C=CC12CC(OC)=CC1N2;FCGJIQBINORWBP-UHFFFAOYSA-N;137.18;0.82;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC5_SNd";;;;;;;1.64;;0.02;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM416128;MM416128;CC#CC1C=CC(CC)=C1;GZDPDGHHWCAVHL-UHFFFAOYSA-N;132.21;2.53;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC3_SC4";;;;;;;3.9;;0.47;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM416129;MM416129;CC#Cc1coc(O)c1N;RKRYLRNMXACVAF-UHFFFAOYSA-N;137.14;0.94;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNd_SNda";;;;;;;0.87;;-1.92;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM416130;MM416130;COC(=CF)COC=CF;JUNKPEWKWIXDJY-UHFFFAOYSA-N;150.12;1.9;;;;;DOPC;MDCG;27;0;"MARTINI bead: N0_N0";;;;;;;1.47;;-0.05;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM416131;MM416131;COCC(=O)C(=CN)CO;IWIHWJFKVKMAIP-UHFFFAOYSA-N;145.16;-0.96;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_P2";;;;;;;-1.06;;-3.82;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM416132;MM416132;CNC1=NCC(=NN)O1;QSVHFTJVIKVAGZ-UHFFFAOYSA-N;128.14;-1.14;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP1_SP1";;;;;;;-0.79;;-3.13;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM416133;MM416133;COC1=CC2NC2(C=O)C1;QNGDLNCCJKUVML-UHFFFAOYSA-N;139.15;-0.17;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC5_SP1";;;;;;;0.81;;-0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM416134;MM416134;CC#CC1C=CC(CN)=C1;OQSXLOZPRHBHLP-UHFFFAOYSA-N;133.19;1.08;;;;;DOPC;MDCG;27;1;"MARTINI bead: SC4_SNd";;;;;;;2.2;;-1.62;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM416135;MM416135;CC#Cc1coc(F)c1N;KNWSJHSGSZSHJW-UHFFFAOYSA-N;139.13;1.37;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC5_SNda";;;;;;;1.64;;0.05;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM416136;MM416136;C=CC(=O)C(N)=NN=CC;OPRYHQAVROETET-UHFFFAOYSA-N;139.16;0.1;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nd_Na";;;;;;;0.87;;-1.88;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM416137;MM416137;C=C(CCN)C(CC)=NO;RUUWCEPOWZGICD-UHFFFAOYSA-N;142.2;1.13;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nda_Nd";;;;;;;0.87;;-4.62;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM416138;MM416138;COc1ncn(C)c(=O)n1;CDTFMIUTIBJJRK-UHFFFAOYSA-N;141.13;-0.82;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNa_SP3";;;;;;;-1.1;;-4.2;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM416139;MM416139;COC1=CC2NC2(C#N)C1;BCCRKAHQTQZBOD-UHFFFAOYSA-N;136.15;0.15;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC5_SP1";;;;;;;0.81;;-0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM416140;MM416140;N=c1nn[nH]nc1C(=O)O;XBCGXVRJVVPLCW-UHFFFAOYSA-N;141.09;-1.62;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP4_SP2";;;;;;;-2.29;;-9.64;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM416141;MM416141;CC#CC1C=CC(CO)=C1;GRLPJEKPFUKXLO-UHFFFAOYSA-N;134.18;1.11;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC4_SNda";;;;;;;2.2;;0.49;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM416142;MM416142;CC=C(COC=NO)OC;DSWKKJKHYJFDRF-UHFFFAOYSA-N;145.16;0.97;;;;;DOPC;MDCG;27;0;"MARTINI bead: C3_P3";;;;;;;0.6;;-0.8;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM416143;MM416143;COc1ncn(N)c(=O)n1;SGTLDYIRJBWZPN-UHFFFAOYSA-N;142.12;-1.64;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNa_SP4";;;;;;;-1.19;;-4.76;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM416144;MM416144;C=C(CCC)C(CN)=NO;JVRQONYIHSPGNC-UHFFFAOYSA-N;142.2;1.13;;;;;DOPC;MDCG;27;1;"MARTINI bead: C1_P3";;;;;;;0.94;;-1.1;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM416145;MM416145;CCCC(C)(O)CC;KYWJZCSJMOILIZ-UHFFFAOYSA-N;116.2;1.95;;;;;DOPC;MDCG;27;0;"MARTINI bead: C3_Nda";;;;;;;2.57;;0.44;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM416146;MM416146;C=CC12CC(CC)=CC1O2;MHAVAAHNGKZKSP-UHFFFAOYSA-N;136.19;2.05;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC2_SNa";;;;;;;2.83;;0.35;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM416147;MM416147;CC#CC1C=CC(CF)=C1;WXGWOXYZMJNJLQ-UHFFFAOYSA-N;136.17;2.09;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC4_SC5";;;;;;;2.97;;0.45;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM416148;MM416148;CCC(=O)C(=O)C=NOC;SHXOXWWXQKUXEQ-UHFFFAOYSA-N;143.14;0.17;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_P1";;;;;;;0.04;;-2.54;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM416149;MM416149;CCc1cnn(C)c(=O)n1;URRSZZHYRADMOM-UHFFFAOYSA-N;139.16;-0.26;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP1_SP2";;;;;;;-1.06;;-3.82;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM416150;MM416150;CCNN=C(C)OC=CF;MVNGMLSUWPDQFM-UHFFFAOYSA-N;146.17;1.39;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nd_Na";;;;;;;0.87;;-1.88;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM416151;MM416151;C=CC12CC(CN)=CC1O2;FFLQWPLFXKKXPR-UHFFFAOYSA-N;137.18;0.6;;;;;DOPC;MDCG;27;1;"MARTINI bead: SNd_SNa";;;;;;;0.87;;-4.12;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM416152;MM416152;Cc1nc(N)c(C)o1;VCAUTEPTGWVXCG-UHFFFAOYSA-N;112.13;0.87;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNa_SNd";;;;;;;0.87;;-1.88;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM416153;MM416153;CC#CC1C=CC(OC)=C1;QJPLNSBDRGTZBT-UHFFFAOYSA-N;134.18;1.73;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNa_SC4";;;;;;;2.2;;0.34;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM416154;MM416154;CC=NOCC(=CC)OC;BGGNICIDYQXINZ-UHFFFAOYSA-N;143.19;1.56;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_Na";;;;;;;1.64;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM416155;MM416155;CCCC(=O)C(CC)=NO;MDFCKGGLIZMOJB-UHFFFAOYSA-N;143.19;1.6;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_Nda";;;;;;;1.64;;0.05;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM416156;MM416156;Cn1ncc(CN)nc1=O;GOFQSAOMZJBTSN-UHFFFAOYSA-N;140.15;-1.37;;;;;DOPC;MDCG;27;1;"MARTINI bead: SP2_SP3";;;;;;;-2.2;;-6.37;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM416157;MM416157;C=CC12CC(CO)=CC1O2;CLKCSNWPZXZKNZ-UHFFFAOYSA-N;138.17;0.63;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNda_SNa";;;;;;;0.87;;-1.99;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM416158;MM416158;Cc1[nH]nc(N)c1N;CERNMDUMVTYODE-UHFFFAOYSA-N;112.14;-0.12;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNd_SP2";;;;;;;-0.24;;-3.16;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM416159;MM416159;CC#CC1C=CC(=NO)N1;KNFQGRUNDRYUKM-UHFFFAOYSA-N;136.15;0.33;;;;;DOPC;MDCG;27;0;"MARTINI bead: SN0_SP1";;;;;;;0.34;;-1.53;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM416160;MM416160;O=CCC(O)C#CC(=O)O;QYQYLKRBEVJPIU-UHFFFAOYSA-N;142.11;-0.98;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_P1";;;;;;;-1.06;;-8.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM416161;MM416161;CC=NOCC(=CF)OC;JCIDHQJMZODUHP-UHFFFAOYSA-N;147.15;1.47;;;;;DOPC;MDCG;27;0;"MARTINI bead: N0_Na";;;;;;;1.17;;-1.18;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM416162;MM416162;Cn1ncc(CO)nc1=O;KNLFRDBFNGSZKM-UHFFFAOYSA-N;141.13;-1.33;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP2_SP2";;;;;;;-1.34;;-4.31;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM416163;MM416163;C=CC12CC(CF)=CC1O2;OKZZXHHKNUUBCJ-UHFFFAOYSA-N;140.16;1.61;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC5_SNa";;;;;;;1.64;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM416164;MM416164;NC(=O)C#CC(=O)O;DFBWFMTVBVLZPV-UHFFFAOYSA-N;113.07;-1.44;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_P1";;;;;;;-1.06;;-9.05;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM416165;MM416165;C=CC1=CC(C#CC)C=C1;ANDNTGIVKAVHBW-UHFFFAOYSA-N;130.19;2.31;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC4_SC4";;;;;;;3.53;;0.53;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM416166;MM416166;C=C(CNC)C(CO)=NO;LYEMOLCTJKEYRX-UHFFFAOYSA-N;144.17;-0.42;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1_P1";;;;;;;-0.79;;-5.16;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM416167;MM416167;Cn1ncc(CF)nc1=O;YCNWBNNDGGICKK-UHFFFAOYSA-N;143.12;-0.36;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP2_SP1";;;;;;;-1.06;;-3.82;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM416168;MM416168;C=CC(F)C(C)=NN=CC;HCTPJLFZDPAKKH-UHFFFAOYSA-N;142.18;1.98;;;;;DOPC;MDCG;27;0;"MARTINI bead: C3_Na";;;;;;;2.57;;0.45;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM416169;MM416169;CCC1=CC2OC2(C=O)C1;QSLVRMDSKLFAIA-UHFFFAOYSA-N;138.17;1.06;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC2_SP1";;;;;;;2;;0.29;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM416170;MM416170;CC#CC1C=CC(C=O)=C1;IKHYYULBMHGVCA-UHFFFAOYSA-N;132.16;1.32;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC4_SNa";;;;;;;2.2;;0.34;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM416171;MM416171;N=c1nn[nH]nc1NO;RZOFPBZGRKRWGD-UHFFFAOYSA-N;128.1;-1.52;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP3_SP2";;;;;;;-2.2;;-9.64;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM416172;MM416172;C=C(CNC)C(CF)=NN;AMOHVLLLXMWTSB-UHFFFAOYSA-N;145.18;0.05;;;;;DOPC;MDCG;27;1;"MARTINI bead: P2_Na";;;;;;;-0.24;;-5.08;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM416173;MM416173;CNN=CONC(=N)C#N;JFIRKFGDVKDUBG-UHFFFAOYSA-N;141.13;-0.83;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_P1";;;;;;;-1.06;;-3.82;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM416174;MM416174;CCc1cnn(N)c(=O)n1;GQXXIJFTCGRFOE-UHFFFAOYSA-N;140.15;-1.09;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP1_SP3";;;;;;;-1.93;;-4.72;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM416175;MM416175;CCC1=CC2OC2(C#N)C1;QZYNPPVKDSAMGX-UHFFFAOYSA-N;135.17;1.39;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC2_SNa";;;;;;;2.83;;0.35;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM416176;MM416176;CC#CC1C=CC(C#N)=C1;HNQRWMONALRVLU-UHFFFAOYSA-N;129.16;1.65;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC4_SN0";;;;;;;2.5;;0.44;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM416177;MM416177;C=C(CCO)C(=NC)NN;VDVUDYXGTQCIMT-UHFFFAOYSA-N;143.19;-0.58;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_P1";;;;;;;0.04;;-5.48;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM416178;MM416178;CN=c1nc(O)c(O)no1;KVNMWSQHBGERCY-UHFFFAOYSA-N;143.1;-0.99;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP3_SP2";;;;;;;-2.2;;-9.64;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM416179;MM416179;NN=c1oncoc1=O;ISPYOWJJWNYUDI-UHFFFAOYSA-N;129.08;-1.6;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP2_SP2";;;;;;;-1.34;;-4.31;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM416180;MM416180;O=CC12CC(CO)=CC1O2;PQQUORKPDCEDTM-UHFFFAOYSA-N;140.14;-0.35;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNda_SP1";;;;;;;0.04;;-2.73;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM416181;MM416181;CC=CCN=C(CC)NC;JUWZVNYGPGYNIS-UHFFFAOYSA-N;140.23;1.59;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_C2";;;;;;;2.83;;-2.01;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM416182;MM416182;C#CC1=CC(C#CC)C=C1;IAXBSJXFAQCCPH-UHFFFAOYSA-N;128.17;1.76;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC4_SC5";;;;;;;2.97;;0.45;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM416183;MM416183;CC#Cc1noc(F)c1C;UKHBFBNMIUTHGZ-UHFFFAOYSA-N;139.13;1.49;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC5_SNa";;;;;;;1.64;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM416184;MM416184;C=C(CCO)C(=NC)NO;JRZWUWWETDZTEA-UHFFFAOYSA-N;144.17;-0.07;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nda_P1";;;;;;;0.04;;-4.37;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM416185;MM416185;Nn1ncc(CF)nc1=O;JWELDOCOPCPGON-UHFFFAOYSA-N;144.11;-1.18;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP3_SP1";;;;;;;-1.93;;-4.72;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM416186;MM416186;N#CC12CC(CO)=CC1O2;QWYGUAIYIHJYHU-UHFFFAOYSA-N;137.14;-0.03;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNda_SNa";;;;;;;0.87;;-1.99;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM416187;MM416187;CCC(=NCC=CF)NC;XAIYXDHYGHNQAR-UHFFFAOYSA-N;144.19;1.5;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_C4";;;;;;;2.2;;-3.44;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM416188;MM416188;C=NNC=NC=C(C)F;UPVKBNDHLOTIBK-UHFFFAOYSA-N;129.14;1.05;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_P2";;;;;;;0.54;;-1.09;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM416189;MM416189;CCC=C1C=CC(CC)=C1;WOZSKGBMSKBOGW-UHFFFAOYSA-N;134.22;3.23;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC3_SC3";;;;;;;4.27;;0.2;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM416190;MM416190;C=C(CCO)C(=NO)NO;HEQKXCWYYMMURA-UHFFFAOYSA-N;146.15;-0.31;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_P2";;;;;;;-1.06;;-3.82;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM416191;MM416191;O=CC12CC(CF)=CC1O2;CUHFFQNBBCNEGZ-UHFFFAOYSA-N;142.13;0.62;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC5_SP1";;;;;;;0.81;;-0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM416192;MM416192;COC(C)OC(=O)C(=O)O;YHILMMVGIFHTMT-UHFFFAOYSA-N;148.11;-0.39;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_P1";;;;;;;0.04;;-7.57;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM416193;MM416193;CCC(C)=NOC=NNC;SEBVBVLZXISFIK-UHFFFAOYSA-N;143.19;0.95;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_P2";;;;;;;0.54;;-1.09;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM416194;MM416194;CCC1=CC(=CCN)C=C1;GVQIMHJATNXHDN-UHFFFAOYSA-N;135.21;1.78;;;;;DOPC;MDCG;27;1;"MARTINI bead: SC3_SNd";;;;;;;2.57;;-0.95;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM416195;MM416195;CC#Cc1noc(F)c1N;SCSYPDUCTQLZGD-UHFFFAOYSA-N;140.12;0.77;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC5_SNda";;;;;;;1.64;;0.05;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM416196;MM416196;CCCC(=O)C(=NC)NC;VFPMOQTWVWDXCZ-UHFFFAOYSA-N;142.2;0.6;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_P1";;;;;;;0.81;;-0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM416197;MM416197;Oc1c(F)noc1F;YLUMIOWXWHDWCK-UHFFFAOYSA-N;121.04;0.66;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNa_SNda";;;;;;;0.87;;-7.08;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM416198;MM416198;N#CC12CC(CF)=CC1O2;YIAHIRTYAJBERF-UHFFFAOYSA-N;139.13;0.95;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC5_SNa";;;;;;;1.64;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM416199;MM416199;CC=CCN=C(CO)NC;KJBDOHTYAODXDI-UHFFFAOYSA-N;142.2;0.17;;;;;DOPC;MDCG;27;1;"MARTINI bead: P5_C2";;;;;;;0.85;;-4.01;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM416200;MM416200;CCC1=CC(=CCO)C=C1;GCJRZQOYVMHOPV-UHFFFAOYSA-N;136.19;1.81;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC3_SNda";;;;;;;2.57;;0.44;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM416201;MM416201;C=CC(C)=NN=CCF;UWARKXUWPCLJQO-UHFFFAOYSA-N;128.15;1.59;;;;;DOPC;MDCG;27;0;"MARTINI bead: C3_P1";;;;;;;1.74;;0.29;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM416202;MM416202;O=C(CCO)C(=NO)NO;XNYWQPRKOCBQHR-UHFFFAOYSA-N;148.12;-1.3;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_P3";;;;;;;-1.93;;-4.72;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM416203;MM416203;O=CC=NNC(=O)C(=O)O;FHCMIFJNNDXTTD-UHFFFAOYSA-N;144.09;-1.63;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_P1";;;;;;;-0.79;;-8.17;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM416204;MM416204;CCC(=NCC=NN)NC;LVEOCULWEOLCLG-UHFFFAOYSA-N;142.21;-0.04;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_Nd";;;;;;;0.87;;-5.78;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM416205;MM416205;C=CC12CC(OC)=CC1O2;CWSSDCKXXMHMBI-UHFFFAOYSA-N;138.17;1.24;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC5_SNa";;;;;;;1.64;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM416206;MM416206;C=CCC1=C(C)C(F)CC1;CWGBHQGYQZUFDA-UHFFFAOYSA-N;140.2;3.01;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC1_SC5";;;;;;;3.68;;0.46;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM416207;MM416207;CCC=C1C=CC(CN)=C1;JULDFNSIKARXQP-UHFFFAOYSA-N;135.21;1.78;;;;;DOPC;MDCG;27;1;"MARTINI bead: SC3_SNd";;;;;;;2.57;;-0.92;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM416208;MM416208;CNC(=NO)C(=O)COC;ZEGIJYQBTRJCSS-UHFFFAOYSA-N;146.15;-0.79;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_P1";;;;;;;-1.06;;-3.82;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM416209;MM416209;COc1cnn(N)c(=N)n1;KZDSORQPMJYOCU-UHFFFAOYSA-N;141.13;-1.52;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP2_SP3";;;;;;;-2.2;;-5.19;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM416210;MM416210;CN=C(CN)NCC=NO;QCKNWZBZRCLUMB-UHFFFAOYSA-N;144.18;-0.98;;;;;DOPC;MDCG;27;1;"MARTINI bead: P2_P2";;;;;;;-1.34;;-6.31;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM416211;MM416211;C#Cc1nc(C)c(N)o1;TYPDQNKYQWJVFH-UHFFFAOYSA-N;122.13;0.55;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNa_SNd";;;;;;;0.87;;-1.88;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM416212;MM416212;COC1=CC2OC2(C=O)C1;QAYATIBDTLZUEV-UHFFFAOYSA-N;140.14;0.26;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC5_SP1";;;;;;;0.81;;-0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM416213;MM416213;NCC=C1C=CC(CN)=C1;CPUJOKRFFZWVPB-UHFFFAOYSA-N;136.2;0.33;;;;;DOPC;MDCG;27;1;"MARTINI bead: SNd_SNd";;;;;;;0.87;;-4.62;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM416214;MM416214;CCCC(=O)C(=CN)OC;SFSHYCUPRZBCPL-UHFFFAOYSA-N;143.19;0.8;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_P1";;;;;;;0.81;;-0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM416215;MM416215;CC=CC1=CCC(C)(O)C1;YDKJDNNLWBBOIT-UHFFFAOYSA-N;138.21;2.03;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC2_SNda";;;;;;;2.83;;0.57;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM416216;MM416216;CN=C(CO)NCC=NO;BYPXFGJYUFWVOY-UHFFFAOYSA-N;145.16;-0.94;;;;;DOPC;MDCG;27;1;"MARTINI bead: P2_P1";;;;;;;-1.06;;-6.22;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM416217;MM416217;C#CCC1=C(C)C(F)CC1;FTBUQDZAMAMQML-UHFFFAOYSA-N;138.19;2.46;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC4_SC5";;;;;;;2.97;;0.45;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM416218;MM416218;NCC1=CC(=CCO)C=C1;REWYQBYYQKWVLH-UHFFFAOYSA-N;137.18;0.36;;;;;DOPC;MDCG;27;1;"MARTINI bead: SNd_SNda";;;;;;;0.87;;-4.11;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM416219;MM416219;COC1=CC2OC2(C#N)C1;ACYVTGSCRVGGRY-UHFFFAOYSA-N;137.14;0.58;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC5_SNa";;;;;;;1.64;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM416220;MM416220;COC(=CF)C(=O)CCO;QTDUXKVLQFMHKF-UHFFFAOYSA-N;148.13;0.4;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_P1";;;;;;;0.04;;-2.54;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM416221;MM416221;COc1cnn(C)c(=O)n1;IQMIJMSFHYVSQE-UHFFFAOYSA-N;141.13;-0.82;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP2_SP2";;;;;;;-1.34;;-4.31;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM416222;MM416222;C=CCC1=C(C)C(=C)CC1;WLMMAHKICLZVBE-UHFFFAOYSA-N;134.22;3.23;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC1_SC4";;;;;;;4.24;;0.42;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM416223;MM416223;C=CCC(C=O)C=NOC;FBQICVXOBOZBPV-UHFFFAOYSA-N;141.17;1.01;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_C5";;;;;;;0.54;;-1.09;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM416224;MM416224;CCC=C1C=CC(CO)=C1;SYHSIDHYSFCHJN-UHFFFAOYSA-N;136.19;1.81;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC3_SNda";;;;;;;2.57;;0.44;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM416225;MM416225;C=CC1=CC2CC2(C=C)C1;FJXSPENTXFGUTC-UHFFFAOYSA-N;132.21;2.69;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC3_SC4";;;;;;;3.9;;0.47;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM416226;MM416226;CC=C(OC)C(=O)COC;KGFXTAWSYGBKIN-UHFFFAOYSA-N;144.17;0.75;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_C5";;;;;;;0.81;;-0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM416227;MM416227;COc1cnn(N)c(=O)n1;TVAXOZFEFDVTAE-UHFFFAOYSA-N;142.12;-1.64;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP2_SP3";;;;;;;-2.2;;-5.19;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM416228;MM416228;C=C1CCC(CC#N)=C1C;SOPSRRKIVYKKPE-UHFFFAOYSA-N;133.19;2.57;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC4_SC4";;;;;;;3.53;;0.53;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM416229;MM416229;NN=C(NN)NCC=CF;LUNCIZCDBDSGRU-UHFFFAOYSA-N;147.16;-1.25;;;;;DOPC;MDCG;27;1;"MARTINI bead: P4_C5";;;;;;;-0.41;;-5.27;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM416230;MM416230;C=CC12CC(C=O)=CC1C2;OVKYQZOBXDGIJT-UHFFFAOYSA-N;134.18;1.71;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC4_SNa";;;;;;;2.2;;0.34;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM416231;MM416231;NCC=C1C=CC(CO)=C1;NMFRQKJRHYHLSL-UHFFFAOYSA-N;137.18;0.36;;;;;DOPC;MDCG;27;1;"MARTINI bead: SNd_SNda";;;;;;;0.87;;-4.14;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM416232;MM416232;COCC(=O)C(=CF)OC;WHFSPVIUWNORAC-UHFFFAOYSA-N;148.13;0.66;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_N0";;;;;;;0.34;;-1.53;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM416233;MM416233;O=C(O)C#CC(CF)=NO;BMVKRMDIQKXGEW-UHFFFAOYSA-N;145.09;-0.13;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda_P1";;;;;;;0.04;;-7.71;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM416234;MM416234;C=C1OCC(CC#N)=C1C;UBWLPNQCNSJDEB-UHFFFAOYSA-N;135.17;1.76;;;;;DOPC;MDCG;27;0;"MARTINI bead: SN0_SNa";;;;;;;1.17;;-1.18;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM416235;MM416235;C#CCC(C#N)=CNN=C;VXPXQJSYOLCAMU-UHFFFAOYSA-N;133.15;0.62;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_C5";;;;;;;0.81;;-0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM416236;MM416236;C=CC12CC(C#N)=CC1C2;PMUVFQUBNPNSPS-UHFFFAOYSA-N;131.18;2.03;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC4_SN0";;;;;;;2.5;;0.44;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM416237;MM416237;CCNC(=O)C(=CF)CO;LGLFYKGDPROVSO-UHFFFAOYSA-N;147.15;-0.03;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_Nda";;;;;;;0.04;;-2.73;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM416238;MM416238;C#CCC1=C(C)C(=C)CC1;MRYJVBNAOUWQCG-UHFFFAOYSA-N;132.21;2.68;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC4_SC4";;;;;;;3.53;;0.53;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM416239;MM416239;OCC=C1C=CC(CO)=C1;WUGXLWZAALQGMK-UHFFFAOYSA-N;138.17;0.39;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNda_SNda";;;;;;;0.87;;-2.07;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM416240;MM416240;CCc1nnn(C)c(=N)n1;FYSWTVPCLDJWFS-UHFFFAOYSA-N;139.16;-0.75;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP2_SP3";;;;;;;-2.2;;-5.19;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM416241;MM416241;CN=C(NC)NCC=NN;LTRRXOFARIGLHM-UHFFFAOYSA-N;143.19;-1.27;;;;;DOPC;MDCG;27;1;"MARTINI bead: P2_Nd";;;;;;;-0.24;;-7.67;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM416242;MM416242;C=CC1=CC2CC2(C=O)C1;NSEVYKGLSUYTLV-UHFFFAOYSA-N;134.18;1.71;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC3_SNa";;;;;;;2.57;;0.45;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM416243;MM416243;C#CC(=O)CCNN=CC;LUWGHTYCDHNVBI-UHFFFAOYSA-N;138.17;0.17;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nd_Na";;;;;;;0.87;;-1.88;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM416244;MM416244;C#CCC1=C(C)C(=O)CC1;HNBBAIURALGYQC-UHFFFAOYSA-N;134.18;1.69;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC4_SNa";;;;;;;2.2;;0.34;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM416245;MM416245;CCC=C1C=CC(CF)=C1;DYOYVHYRQCUUKF-UHFFFAOYSA-N;138.19;2.79;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC3_SC5";;;;;;;3.34;;0.48;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM416246;MM416246;C=CC(=C)C1C(C)C1(C)O;LDBVYGQMSZJBNI-UHFFFAOYSA-N;138.21;1.75;;;;;DOPC;MDCG;27;0;"MARTINI bead: C3_SNda";;;;;;;2.57;;0.44;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM416247;MM416247;CNC(=NN)NCC=NN;SGWSAXGRBUOFEL-UHFFFAOYSA-N;144.18;-2.03;;;;;DOPC;MDCG;27;1;"MARTINI bead: P3_Nd";;;;;;;-1.1;;-7.09;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM416248;MM416248;C=CC1=CC2CC2(C#N)C1;BAUFCPPEYRSRLQ-UHFFFAOYSA-N;131.18;2.03;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC3_SN0";;;;;;;2.87;;0.37;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM416249;MM416249;CCNC(=O)C(=CF)CF;HSETUQAXOZPAFH-UHFFFAOYSA-N;149.14;0.95;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_C5";;;;;;;0.81;;-0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM416250;MM416250;C#CCC1=C(C)C(=N)NC1;FXHWLEOGPQJCJP-UHFFFAOYSA-N;134.18;0.91;;;;;DOPC;MDCG;27;1;"MARTINI bead: SP1_SP1";;;;;;;-0.79;;-6.93;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM416251;MM416251;NCC=C1C=CC(CF)=C1;JVLRUXKVUVRUII-UHFFFAOYSA-N;139.17;1.34;;;;;DOPC;MDCG;27;1;"MARTINI bead: SNd_SC5";;;;;;;1.64;;-2.12;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM416252;MM416252;Cn1nnc(CF)nc1=N;RPTDFTJEQMRCHT-UHFFFAOYSA-N;143.13;-0.84;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP3_SP2";;;;;;;-2.2;;-5.19;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM416253;MM416253;O=CC1=CC2CC2(C=O)C1;KMDAOHSXJUSYJM-UHFFFAOYSA-N;136.15;0.72;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNa_SNa";;;;;;;0.87;;-2.22;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM416254;MM416254;CNC(=NN)NCC=NO;JJKYAQMBKNSCJJ-UHFFFAOYSA-N;145.17;-1.51;;;;;DOPC;MDCG;27;1;"MARTINI bead: P2_P1";;;;;;;-1.06;;-7.24;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM416255;MM416255;Nc1ccn(N)c(=O)n1;KDXVHZYQDLWWGJ-UHFFFAOYSA-N;126.12;-1.46;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP1_SP2";;;;;;;-1.06;;-3.82;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM416256;MM416256;CNNC(=N)C(=CF)CF;RQAQICLHYRLNIM-UHFFFAOYSA-N;149.14;0.51;;;;;DOPC;MDCG;27;1;"MARTINI bead: P4_C5";;;;;;;-0.41;;-3.81;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM416257;MM416257;CCc1nnn(N)c(=N)n1;LMGUKFQYKJRTQQ-UHFFFAOYSA-N;140.15;-1.57;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP2_SP3";;;;;;;-2.2;;-5.19;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM416258;MM416258;OCC=C1C=CC(CF)=C1;SOSRDZOVFXIBFA-UHFFFAOYSA-N;140.16;1.37;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNda_SC5";;;;;;;1.64;;0.05;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM416259;MM416259;CC=CC1=C(C)C(F)CC1;SPLNOVLKZUDXLP-UHFFFAOYSA-N;140.2;3.01;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC1_SC5";;;;;;;3.68;;0.46;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM416260;MM416260;N#CC1=CC2CC2(C=O)C1;RQRXRANRFYDOEB-UHFFFAOYSA-N;133.15;1.05;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNa_SN0";;;;;;;1.17;;-1.18;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM416261;MM416261;CN=C(NN)NCC=NN;SGWSAXGRBUOFEL-UHFFFAOYSA-N;144.18;-2.03;;;;;DOPC;MDCG;27;1;"MARTINI bead: P3_Nd";;;;;;;-1.1;;-7.71;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM416262;MM416262;C=CC1C=C(C)C(C)(O)C1;DHSIVHVFBIBOGK-UHFFFAOYSA-N;138.21;1.89;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC4_SC5";;;;;;;2.97;;0.45;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM416263;MM416263;C#CC(=O)CCC=NOC;JHUBJLIGXNGBAQ-UHFFFAOYSA-N;139.15;0.6;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_Na";;;;;;;0.87;;-2.22;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM416264;MM416264;CCC=C1C=CC(OC)=C1;KJRGUPRDZSTWBP-UHFFFAOYSA-N;136.19;2.42;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC3_SNa";;;;;;;2.57;;0.45;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM416265;MM416265;C=C1CCC(C=CC)=C1C;FYSFWOBQAASULM-UHFFFAOYSA-N;134.22;3.23;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC1_SC4";;;;;;;4.24;;0.42;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM416266;MM416266;N#CC12CC(C=O)=CC1C2;GGKCEGATZYSSOK-UHFFFAOYSA-N;133.15;1.05;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNa_SN0";;;;;;;1.17;;-1.18;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM416267;MM416267;CN=C(NN)NCC=NO;JJKYAQMBKNSCJJ-UHFFFAOYSA-N;145.17;-1.51;;;;;DOPC;MDCG;27;1;"MARTINI bead: P2_P1";;;;;;;-1.06;;-7.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM416268;MM416268;N=c1nc(CF)nnn1N;HSHWWRHGMYVXEY-UHFFFAOYSA-N;144.11;-1.66;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP3_SP2";;;;;;;-2.2;;-5.19;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM416269;MM416269;O=CCNC1CC1(F)C=O;NBFORHAQMNNOOR-UHFFFAOYSA-N;145.13;-0.55;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNa_P2";;;;;;;-0.24;;-3.24;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM416270;MM416270;COC1=CC(=CCN)C=C1;XMINNWNNBMQEHZ-UHFFFAOYSA-N;137.18;0.97;;;;;DOPC;MDCG;27;1;"MARTINI bead: SNa_SNd";;;;;;;0.87;;-4.11;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM416271;MM416271;N#CC1=CC2CC2(C#N)C1;CTWZVISZJAZNRL-UHFFFAOYSA-N;130.15;1.37;;;;;DOPC;MDCG;27;0;"MARTINI bead: SN0_SN0";;;;;;;1.47;;-0.05;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM416272;MM416272;CC=CC1=C(C)C(=O)CC1;WBFDEXUTYJDNAA-UHFFFAOYSA-N;136.19;2.24;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC1_SNa";;;;;;;2.91;;0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM416273;MM416273;NN=CCNC(=NN)NN;SPJXBMWGEWWYCO-UHFFFAOYSA-N;145.17;-2.79;;;;;DOPC;MDCG;27;1;"MARTINI bead: P4_Nd";;;;;;;-1.19;;-7.26;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM416274;MM416274;C=CC1=CC(C)(O)C(C)C1;CBNSYXAMDJGKFS-UHFFFAOYSA-N;138.21;1.89;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC3_SNda";;;;;;;2.57;;0.44;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM416275;MM416275;CC=C(CN)C(=O)NNC;YYCKYMQMONSAQV-UHFFFAOYSA-N;143.19;-0.86;;;;;DOPC;MDCG;27;1;"MARTINI bead: P4_Nd";;;;;;;-1.19;;-6.03;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM416276;MM416276;COC1=CC(=CCO)C=C1;IZDKPSCDFPKZIZ-UHFFFAOYSA-N;138.17;1.01;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNa_SNda";;;;;;;0.87;;-1.99;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM416277;MM416277;C=CC1=NC2(C=C)CC2N1;KTQNLEBDTUWDGP-UHFFFAOYSA-N;134.18;0.87;;;;;DOPC;MDCG;27;1;"MARTINI bead: SNd_SP1";;;;;;;0.04;;-3.99;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM416278;MM416278;CC=CC1=C(C)C(=N)NC1;RDLBRHFDNJTJNB-UHFFFAOYSA-N;136.2;1.46;;;;;DOPC;MDCG;27;1;"MARTINI bead: SN0_SP1";;;;;;;0.34;;-5.22;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM416279;MM416279;NN=C(NN)NCC=NO;BLOUFIOGGGFOLQ-UHFFFAOYSA-N;146.15;-2.27;;;;;DOPC;MDCG;27;1;"MARTINI bead: P4_P1";;;;;;;-2.01;;-7.81;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM416280;MM416280;C=CC(=O)OC(=N)NN=C;KKFGVASKYGHDOY-UHFFFAOYSA-N;141.13;-0.14;;;;;DOPC;MDCG;27;0;"MARTINI bead: N0_P1";;;;;;;0.34;;-1.53;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM416281;MM416281;CN=Nc1c[nH]c(CN)c1;WEMYVFQHLDKLJZ-UHFFFAOYSA-N;138.17;1.19;;;;;DOPC;MDCG;27;1;"MARTINI bead: SC5_SP1";;;;;;;0.81;;-1.75;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM416282;MM416282;N#CC1(F)CC1NCC=O;CFXLPDGENUANGE-UHFFFAOYSA-N;142.13;-0.22;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNa_P2";;;;;;;-0.24;;-3.24;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM416283;MM416283;COCCC(=O)ON=CN;MYOUDGNASJITSW-UHFFFAOYSA-N;146.15;-0.53;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_P2";;;;;;;-0.24;;-3.24;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM416284;MM416284;CC#CC1=C(C)C(C)CC1;KSNCBEJTKZPPMF-UHFFFAOYSA-N;134.22;2.76;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC2_SC4";;;;;;;4.16;;0.44;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM416285;MM416285;CN=C(NO)NCC=NN;BVUPTAMMITUMQA-UHFFFAOYSA-N;145.17;-1.51;;;;;DOPC;MDCG;27;1;"MARTINI bead: P3_Nd";;;;;;;-1.1;;-6.46;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM416286;MM416286;C#CC(=NC(C)=O)N(C)N;CTPVJTVKDFMXAL-UHFFFAOYSA-N;139.16;-0.63;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_Na";;;;;;;-0.24;;-3.24;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM416287;MM416287;C#CC1(F)CC1NCC=O;AVHUUVGLECQTOT-UHFFFAOYSA-N;141.15;-0.11;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNa_P2";;;;;;;-0.24;;-3.24;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM416288;MM416288;C#CC(=C)OC(C=C)=NN;ANPJZIHJEFXMLZ-UHFFFAOYSA-N;136.15;0.61;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda_N0";;;;;;;1.17;;-1.13;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM416289;MM416289;CC#CC1=C(C)C(N)CC1;SRVACGGRKNLNSI-UHFFFAOYSA-N;135.21;1.45;;;;;DOPC;MDCG;27;1;"MARTINI bead: SC2_SNd";;;;;;;2.83;;-0.44;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM416290;MM416290;CN=C(NO)NCC=NO;MYYDAWBKVMBPPZ-UHFFFAOYSA-N;146.15;-1;;;;;DOPC;MDCG;27;1;"MARTINI bead: P2_P1";;;;;;;-1.06;;-6.63;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM416291;MM416291;CCNCC(=O)ON=CN;IOGVEWDKMJLGGP-UHFFFAOYSA-N;145.16;-0.96;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_P1";;;;;;;-0.79;;-3.13;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM416292;MM416292;CCc1nnn(C)c(=O)n1;PFVDZSPLMINJLJ-UHFFFAOYSA-N;140.15;-0.87;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP2_SP3";;;;;;;-2.2;;-5.19;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM416293;MM416293;C#CC(=C)C(=NNC)OC;CVCCZEXIQCOOKR-UHFFFAOYSA-N;138.17;0.36;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_N0";;;;;;;0.34;;-1.53;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM416294;MM416294;C=CC(=NN)OC(C)=CC;WUTVQDOZIDJAJT-UHFFFAOYSA-N;140.19;1.38;;;;;DOPC;MDCG;27;0;"MARTINI bead: C2_Nda";;;;;;;2.83;;0.57;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM416295;MM416295;NN=CCNC(=NN)NO;AIDASSLLRVAPAJ-UHFFFAOYSA-N;146.15;-2.27;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_P4";;;;;;;-1.19;;-5.95;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM416296;MM416296;CC#CCC(=O)ON=CN;DLBYGEKXWPSXSE-UHFFFAOYSA-N;140.14;-0.16;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4_P2";;;;;;;1.09;;-0.37;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM416297;MM416297;Cn1cnc(N)cc1=O;KSRSEUOJMZPSFL-UHFFFAOYSA-N;125.13;-0.64;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP2_SP1";;;;;;;-1.06;;-3.82;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM416298;MM416298;Cn1nnc(CO)nc1=O;UVYOKFDYOMHTFW-UHFFFAOYSA-N;142.12;-1.94;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP3_SP2";;;;;;;-2.2;;-5.19;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM416299;MM416299;N#CCNC(C=O)CCF;UBJGLFLPUREKHV-UHFFFAOYSA-N;144.15;0.03;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_P2";;;;;;;-0.24;;-3.24;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM416300;MM416300;C=CC(=NN)OC(C)=CF;DVYHOJJEVXRBPP-UHFFFAOYSA-N;144.15;1.29;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4_Nda";;;;;;;2.2;;0.49;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM416301;MM416301;C=CC(=CNN=C)C(C)=O;VXHYQRDSOZKZTE-UHFFFAOYSA-N;138.17;0.85;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_P1";;;;;;;0.81;;-0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM416302;MM416302;CC#CC1=C(C)C(F)CC1;LKMXEQCUBZUIHE-UHFFFAOYSA-N;138.19;2.46;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC2_SC5";;;;;;;3.6;;0.34;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM416303;MM416303;CC(CF)C(=O)ON=CN;GBTAJINAYBBSRZ-UHFFFAOYSA-N;148.14;0.04;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_P1";;;;;;;0.04;;-2.54;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM416304;MM416304;Cn1nnc(CF)nc1=O;COHXGAHJQLJMIF-UHFFFAOYSA-N;144.11;-0.96;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP3_SP2";;;;;;;-2.2;;-5.19;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM416305;MM416305;CN(C=O)N=C(N)C(=O)O;MVBAOLFPUAMNKN-UHFFFAOYSA-N;145.12;-1.57;;;;;DOPC;MDCG;27;0;"MARTINI bead: P3_P1";;;;;;;-1.93;;-8.95;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM416306;MM416306;CN=Nc1c[nH]c(OC)c1;MBBBDSMPVCHGLR-UHFFFAOYSA-N;139.16;1.74;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNda_SC5";;;;;;;1.64;;0.05;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM416307;MM416307;ON=CCNC(=NO)NO;JMBPGJMXIQYORR-UHFFFAOYSA-N;148.12;-1.24;;;;;DOPC;MDCG;27;0;"MARTINI bead: P4_P1";;;;;;;-2.01;;-5.13;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM416308;MM416308;CC#CC1=C(C)C(C)NC1;CLADGKQQMRKHPC-UHFFFAOYSA-N;135.21;1.32;;;;;DOPC;MDCG;27;1;"MARTINI bead: SN0_SNd";;;;;;;1.17;;-3.85;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM416309;MM416309;C#CC(C)C(=O)ON=CN;WJWZCVXDDHUZLZ-UHFFFAOYSA-N;140.14;-0.3;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_P2";;;;;;;0.54;;-1.09;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM416310;MM416310;CCc1nnn(N)c(=O)n1;AGVUOZFACGYHPI-UHFFFAOYSA-N;141.13;-1.69;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP2_SP4";;;;;;;-2.29;;-5.95;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM416311;MM416311;CCNC(=N)C(CO)=NN;DHTWNKNCDNIWMY-UHFFFAOYSA-N;144.18;-1.12;;;;;DOPC;MDCG;27;1;"MARTINI bead: P2_P2";;;;;;;-1.34;;-5.77;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM416312;MM416312;CCN=C1C=C(CC)C=N1;FOACDXJGPAYOCB-UHFFFAOYSA-N;136.2;1.83;;;;;DOPC;MDCG;27;0;"MARTINI bead: SN0_SC5";;;;;;;1.94;;0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM416313;MM416313;C=NNCC(C#N)=C(F)F;SLQYOOCABSURKD-UHFFFAOYSA-N;145.11;0.87;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4_P2";;;;;;;1.09;;-0.38;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM416314;MM416314;CC#CC1=C(C)C(C)OC1;BMRLGLVKIGXAKM-UHFFFAOYSA-N;136.19;1.74;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC5_SNa";;;;;;;1.64;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM416315;MM416315;Nn1nnc(CO)nc1=O;MHXLWSRIGMFEII-UHFFFAOYSA-N;143.11;-2.76;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP4_SP2";;;;;;;-2.29;;-5.95;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM416316;MM416316;C=C(CC)C(=O)ON=CN;ZEISETCKVLFSKF-UHFFFAOYSA-N;142.16;0.4;;;;;DOPC;MDCG;27;0;"MARTINI bead: C3_P2";;;;;;;1.46;;-0.15;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM416317;MM416317;C=NNC(=NOCC)OC;IEVPYFIUPLACCB-UHFFFAOYSA-N;145.16;0.15;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_P1";;;;;;;0.81;;-0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM416318;MM416318;CCN=C1C=C(CN)C=N1;PCNMRBQQERMKNX-UHFFFAOYSA-N;137.19;0.37;;;;;DOPC;MDCG;27;1;"MARTINI bead: SN0_SNd";;;;;;;1.17;;-2.89;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM416319;MM416319;CCNN=c1occ(N)o1;FKQKWAOXBGYEBC-UHFFFAOYSA-N;143.15;-0.12;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_SP3";;;;;;;-1.93;;-4.72;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM416320;MM416320;CC#CC1=C(C)C(F)CO1;KCPFRYTWYGAHET-UHFFFAOYSA-N;140.16;1.65;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC5_SNa";;;;;;;1.64;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM416321;MM416321;Nn1nnc(CF)nc1=O;BQGRXUSRFCMXBH-UHFFFAOYSA-N;145.1;-1.78;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP4_SP2";;;;;;;-2.29;;-5.95;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM416322;MM416322;C=CC1=CC2CC2(C=C)O1;UVPFPOAVHUJTHZ-UHFFFAOYSA-N;134.18;2.03;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNa_SC5";;;;;;;1.64;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM416323;MM416323;CCC(=NO)C(=O)NNC;VUYZGDDJAQZTQF-UHFFFAOYSA-N;145.16;-0.52;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda_P4";;;;;;;-1.19;;-4.91;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM416324;MM416324;COC(C=C(F)CF)=NN;TZXNYDHDCXAMOO-UHFFFAOYSA-N;150.13;0.73;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_C5";;;;;;;0.81;;-0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM416325;MM416325;C=C1CCC(C#CC)=C1C;AAMLDYFORDUUDT-UHFFFAOYSA-N;132.21;2.68;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC2_SC4";;;;;;;4.16;;0.44;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM416326;MM416326;CNC1=CC(=O)N(N)CC1;KXJXCLXKMTVTHP-UHFFFAOYSA-N;141.17;-0.8;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP1_SP1";;;;;;;-0.79;;-3.13;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM416327;MM416327;Oc1on(O)c2ncnc1-2;ISNWPZIEZULTOG-UHFFFAOYSA-N;141.09;-0.08;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNda_SP1";;;;;;;0.04;;-7.71;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM416328;MM416328;C=CC12CC1C=C(C=O)O2;OFECRJOUTBPVFB-UHFFFAOYSA-N;136.15;1.04;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC4_SNa";;;;;;;2.2;;0.34;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM416329;MM416329;CC1C(=O)CN2C(C)C12C;HDQDPTGDMVNQNY-UHFFFAOYSA-N;139.2;0.67;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP2_SP1";;;;;;;-1.06;;-3.82;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM416330;MM416330;COC(=NO)NCC=NO;JUWYOYXLLWDCKQ-UHFFFAOYSA-N;147.13;-0.57;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_P1";;;;;;;-1.06;;-3.82;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM416331;MM416331;CCN=C1C=C(CF)C=N1;LPJHCTPZOUJRHB-UHFFFAOYSA-N;140.16;1.39;;;;;DOPC;MDCG;27;0;"MARTINI bead: SN0_SNa";;;;;;;1.17;;-1.18;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM416332;MM416332;CC#CC1=C(C)C(=O)CC1;FICJMHJHPQTPPI-UHFFFAOYSA-N;134.18;1.69;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC2_SNa";;;;;;;2.83;;0.35;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM416333;MM416333;O=c1nnc(=NO)[nH]n1O;ORRXYVWKUVYIDD-UHFFFAOYSA-N;145.08;-2.51;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP4_SP5";;;;;;;-3.17;;-11.09;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM416334;MM416334;Oc1noc(=NN2CC2)o1;KZQWHIOGVRJZSS-UHFFFAOYSA-N;143.1;-0.9;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP3_SP2";;;;;;;-2.2;;-9.48;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM416335;MM416335;C=CC12CC1C=C(C#N)O2;WZEVSMOXJWTMTB-UHFFFAOYSA-N;133.15;1.37;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC4_SNa";;;;;;;2.2;;0.34;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM416336;MM416336;CNN=c1occ(C#N)o1;LIAMBXRJMCKHTR-UHFFFAOYSA-N;139.11;-0.22;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_SP2";;;;;;;-1.34;;-4.31;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM416337;MM416337;CCN=C1C=C(OC)C=N1;OBJIHSNFGYMJFL-UHFFFAOYSA-N;138.17;1.02;;;;;DOPC;MDCG;27;0;"MARTINI bead: SN0_SNa";;;;;;;1.17;;-1.18;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM416338;MM416338;CC#CC1=C(C)C(=N)NC1;IKTMZMYCBNRMNH-UHFFFAOYSA-N;134.18;0.91;;;;;DOPC;MDCG;27;1;"MARTINI bead: SN0_SP1";;;;;;;0.34;;-4.58;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM416339;MM416339;N#CC(C(=O)O)=C(N)CO;PYTJPFYDQICTRU-UHFFFAOYSA-N;142.11;-1.2;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_P1";;;;;;;-1.06;;-8.66;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM416340;MM416340;N#CC(CO)CCC(=O)O;LPBGXFPWTWEYAL-UHFFFAOYSA-N;143.14;-0.02;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_P1";;;;;;;-1.06;;-8.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM416341;MM416341;C=CC1=CC2CC2(C=O)O1;KHHKRIODXVRZRA-UHFFFAOYSA-N;136.15;1.04;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNa_SNa";;;;;;;0.87;;-2.22;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM416342;MM416342;CCN=C1C=CC(CC)=N1;XERUNEQBIRPGMB-UHFFFAOYSA-N;136.2;1.83;;;;;DOPC;MDCG;27;0;"MARTINI bead: SN0_SC5";;;;;;;1.94;;0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM416343;MM416343;C#Cc1coc(=NNC)o1;LIASXJZVVKVPLB-UHFFFAOYSA-N;138.13;-0.11;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_SP1";;;;;;;-1.06;;-3.82;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM416344;MM416344;CC#CC1=C(C)C(=O)NC1;BNMSGLODQPJLGT-UHFFFAOYSA-N;135.17;0.46;;;;;DOPC;MDCG;27;0;"MARTINI bead: SN0_SP2";;;;;;;0.06;;-2.21;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM416345;MM416345;C=C1C(C)=C(C)CC1(C)O;VWPLVSSWMYKNIB-UHFFFAOYSA-N;138.21;2.03;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC3_SNda";;;;;;;2.57;;0.44;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM416346;MM416346;CCNC(=N)C(=NN)NC;QHIHIPBLRHILEZ-UHFFFAOYSA-N;143.19;-0.94;;;;;DOPC;MDCG;27;1;"MARTINI bead: C5_P3";;;;;;;-0.33;;-4.96;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM416347;MM416347;C=CC1=CC2CC2(C#N)O1;SOXSQLVVVYHARO-UHFFFAOYSA-N;133.15;1.37;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNa_SN0";;;;;;;1.17;;-1.18;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM416348;MM416348;CCN=C1C=CC(CN)=N1;AMFGUGBCSHVZCV-UHFFFAOYSA-N;137.19;0.37;;;;;DOPC;MDCG;27;1;"MARTINI bead: SN0_SP1";;;;;;;0.34;;-2.97;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM416349;MM416349;CCCC(O)CCC1CC1;WDECMEXHFWWEQG-UHFFFAOYSA-N;142.24;2.34;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_SC5";;;;;;;2.41;;0.64;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM416350;MM416350;C=C1OCC(C#CC)=C1C;NOYZICFZNJWNEF-UHFFFAOYSA-N;134.18;1.87;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC5_SNa";;;;;;;1.64;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM416351;MM416351;C#CC1(C)CC(C)C(O)C1;RWKKYRUFAOVQCK-UHFFFAOYSA-N;138.21;1.42;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC3_SNda";;;;;;;2.57;;0.44;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM416352;MM416352;CCNC(=N)C(=NO)NC;LALHVQICUYSTSH-UHFFFAOYSA-N;144.18;-0.42;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1_P2";;;;;;;-1.06;;-5.98;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM416353;MM416353;O=CC1=CC2CC2(C=O)O1;KQJWSLBKONXHCQ-UHFFFAOYSA-N;138.12;0.06;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNa_SNa";;;;;;;0.87;;-2.22;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM416354;MM416354;C=CC1CC1CC(O)CC;GHOSKLOVEKWSTK-UHFFFAOYSA-N;140.23;1.97;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda_SC4";;;;;;;2.2;;0.49;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM416355;MM416355;C=CC(F)=CC(=NN)OC;WYFZMSHMSNHHGL-UHFFFAOYSA-N;144.15;0.94;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_C4";;;;;;;1.37;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM416356;MM416356;CC#CC1=C(C)C(=O)OC1;HTSHKQOXXHGYJW-UHFFFAOYSA-N;136.15;0.88;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC5_SNa";;;;;;;1.64;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM416357;MM416357;CNc1nnn(C)c(=O)n1;LZPYEEZAPLKPIU-UHFFFAOYSA-N;141.13;-1.39;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP2_SP3";;;;;;;-2.2;;-5.19;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM416358;MM416358;C=C(C)C1CC1C(O)CC;BTMGONFNGWZDSI-UHFFFAOYSA-N;140.23;1.97;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda_SC4";;;;;;;2.2;;0.49;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM416359;MM416359;CCN=C1C=CC(CF)=N1;PUKDOJMFAQPDRL-UHFFFAOYSA-N;140.16;1.39;;;;;DOPC;MDCG;27;0;"MARTINI bead: SN0_SNa";;;;;;;1.17;;-1.18;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM416360;MM416360;CNc1c[nH]c(OC)c1N;OICWIVYWZKNMAU-UHFFFAOYSA-N;141.17;0.65;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNd_SNda";;;;;;;0.87;;-1.92;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM416361;MM416361;N#CC1=CC2CC2(C=O)O1;UVVMMLSALKQEEP-UHFFFAOYSA-N;135.12;0.38;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNa_SNa";;;;;;;0.87;;-2.22;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM416362;MM416362;CC#Cc1[nH]cc(O)c1C;JPELHTQIQAXGLL-UHFFFAOYSA-N;135.17;1.4;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC5_SNda";;;;;;;1.64;;0.05;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM416363;MM416363;COC(=NN)N(N)C(C)=O;UMQUSHXTNDIMOH-UHFFFAOYSA-N;146.15;-1.42;;;;;DOPC;MDCG;27;0;"MARTINI bead: P3_Na";;;;;;;-1.1;;-4.2;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM416364;MM416364;CCNC(=O)C(=NO)NC;LVFIXLPOAAXENU-UHFFFAOYSA-N;145.16;-0.87;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_P2";;;;;;;-1.06;;-3.82;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM416365;MM416365;CCN=C1C=CC(OC)=N1;DKGIHRSVNSEIAG-UHFFFAOYSA-N;138.17;1.02;;;;;DOPC;MDCG;27;0;"MARTINI bead: SN0_SNa";;;;;;;1.17;;-1.18;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM416366;MM416366;CC=CC1=CCC(O)C1C;ADEOPTHIAZCQNL-UHFFFAOYSA-N;138.21;1.89;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC1_SNda";;;;;;;2.91;;0.57;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM416367;MM416367;N#CC12CC1C=C(C=O)O2;ADQCWVTWKVSOCX-UHFFFAOYSA-N;135.12;0.38;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNa_SN0";;;;;;;1.17;;-1.18;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM416368;MM416368;C=C1COC(C#CC)=C1C;JGAAALXNFQLTOS-UHFFFAOYSA-N;134.18;1.87;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC5_SN0";;;;;;;1.94;;0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM416369;MM416369;N=Cn1nnc(O)n1;JKVUXKNEVVGTII-UHFFFAOYSA-N;113.08;-1.17;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP1_SP2";;;;;;;-1.06;;-8.66;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM416370;MM416370;CNNC(=N)C(=NN)NC;LRBOFJLUDZDCLJ-UHFFFAOYSA-N;144.18;-1.82;;;;;DOPC;MDCG;27;1;"MARTINI bead: P3_P2";;;;;;;-2.2;;-6.78;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM416371;MM416371;CCN=C1C=NC(CC)=N1;LGWNNKYNUNFEMS-UHFFFAOYSA-N;137.19;1.3;;;;;DOPC;MDCG;27;0;"MARTINI bead: SN0_SN0";;;;;;;1.47;;-0.05;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM416372;MM416372;CN=CNNC(=NC)NC;AUQFPRNSGUGVBF-UHFFFAOYSA-N;143.19;-1.06;;;;;DOPC;MDCG;27;1;"MARTINI bead: P2_P2";;;;;;;-1.34;;-8.16;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM416373;MM416373;N#CC1=CC2CC2(C#N)O1;XHNJYCRBHXSAKY-UHFFFAOYSA-N;132.12;0.71;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNa_SN0";;;;;;;1.17;;-1.18;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM416374;MM416374;C#CC1COC(NC)=N1;CLZQIGOGMXGXDP-UHFFFAOYSA-N;124.14;-0.41;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP1_SP1";;;;;;;-0.79;;-3.13;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM416375;MM416375;COc1nnn(C)c(=N)n1;WFBXIYXXDHJRSQ-UHFFFAOYSA-N;141.13;-1.3;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP2_SP3";;;;;;;-2.2;;-5.19;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM416376;MM416376;CNNC(=N)C(=NN)NN;CULWTSVPNHHHQG-UHFFFAOYSA-N;145.17;-2.58;;;;;DOPC;MDCG;27;1;"MARTINI bead: P3_P3";;;;;;;-3.07;;-7.25;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM416377;MM416377;C#CC(F)=CC(=NN)OC;QFMYRUPVHLXHAV-UHFFFAOYSA-N;142.13;0.39;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_C5";;;;;;;0.81;;-0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM416378;MM416378;C=CC1=CC2NC2(C=C)C1;JLEJFTSKGOZRKH-UHFFFAOYSA-N;133.19;1.4;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC3_SNd";;;;;;;2.57;;0.54;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM416379;MM416379;CN=CNNC(=NN)NC;ZLJWDMRUFDQQLU-UHFFFAOYSA-N;144.18;-1.81;;;;;DOPC;MDCG;27;1;"MARTINI bead: P3_P2";;;;;;;-2.2;;-7.64;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM416380;MM416380;N=c1nc(O)c(O)no1;CWMXUOHCSPXBDC-UHFFFAOYSA-N;129.08;-1.04;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP3_SP3";;;;;;;-3.07;;-10.28;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM416381;MM416381;COc1nnn(N)c(=N)n1;VLGSCSIZTXMYGD-UHFFFAOYSA-N;142.12;-2.13;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP2_SP3";;;;;;;-2.2;;-5.19;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM416382;MM416382;C=CC(=C)C(O)C1CC1C;KTJHWILDOYDKHM-UHFFFAOYSA-N;138.21;1.75;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC5_Nda";;;;;;;1.64;;0.05;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM416383;MM416383;CCN=C1C=NC(CF)=N1;DHBODBLMBWRZDN-UHFFFAOYSA-N;141.15;0.86;;;;;DOPC;MDCG;27;0;"MARTINI bead: SN0_SP1";;;;;;;0.34;;-1.53;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM416384;MM416384;C=CC12CC(C=O)=CC1N2;PMCSGWADKBRLMQ-UHFFFAOYSA-N;135.17;0.41;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNd_SNa";;;;;;;0.87;;-1.88;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM416385;MM416385;NN=CNNC(=NN)NN;JOPJPYPHMOYFMC-UHFFFAOYSA-N;146.16;-3.32;;;;;DOPC;MDCG;27;1;"MARTINI bead: P4_P3";;;;;;;-3.15;;-8.43;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM416386;MM416386;C=CC(C)C(C)(C)C(C)O;WCGJNKPIMJKPOP-UHFFFAOYSA-N;142.24;2.22;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda_C3";;;;;;;2.57;;0.44;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM416387;MM416387;C#CCC(CC#N)NN=C;OZBDUPHYQPPMAH-UHFFFAOYSA-N;135.17;0.5;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_C5";;;;;;;0.81;;-0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM416388;MM416388;CNNC(=O)C(=NO)NC;ONNGYSYRGDPIIW-UHFFFAOYSA-N;146.15;-1.76;;;;;DOPC;MDCG;27;0;"MARTINI bead: P3_P2";;;;;;;-2.2;;-5.19;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM416389;MM416389;C=CC(=NN)OC=C(C)F;ZHSQOHSMQFQKNY-UHFFFAOYSA-N;144.15;1.29;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_Nda";;;;;;;1.64;;0.05;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM416390;MM416390;C=CC12CC(C#N)=CC1N2;UUHKCVJKVAQVHG-UHFFFAOYSA-N;132.17;0.74;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNd_SN0";;;;;;;1.17;;-1.04;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM416391;MM416391;CN=CNNC(=NO)NN;HWBDCJVTYOBICY-UHFFFAOYSA-N;146.15;-2.05;;;;;DOPC;MDCG;27;1;"MARTINI bead: P2_P4";;;;;;;-2.29;;-7.29;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM416392;MM416392;N#CC(O)CC(=O)C(=O)O;RZGJKBZPYORNRJ-UHFFFAOYSA-N;143.1;-1.09;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_P2";;;;;;;-1.34;;-9.6;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM416393;MM416393;COc1nnn(C)c(=O)n1;KVJWFRDELJRRAB-UHFFFAOYSA-N;142.12;-1.42;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP2_SP3";;;;;;;-2.2;;-5.19;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM416394;MM416394;CN=C(NC)C(=N)NOC;NODLULZHRQBCTN-UHFFFAOYSA-N;144.18;-0.64;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1_P2";;;;;;;-1.06;;-5.74;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM416395;MM416395;C#CC1(C(C)C(C)=O)CN1;KYFPZNWITMDBHN-UHFFFAOYSA-N;137.18;0.19;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_SP3";;;;;;;-1.1;;-4.2;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM416396;MM416396;C=CC1=CC2NC2(C=O)C1;MSDVREOAFZOWMI-UHFFFAOYSA-N;135.17;0.41;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC3_SP1";;;;;;;1.74;;0.29;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM416397;MM416397;CN=C(NO)NNC=NN;ZZSDBLBQDSGHQK-UHFFFAOYSA-N;146.15;-2.05;;;;;DOPC;MDCG;27;1;"MARTINI bead: P2_P4";;;;;;;-2.29;;-7.53;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM416398;MM416398;C=CC(C)CC(O)C(C)C;UHAZCWRQDRFZLX-UHFFFAOYSA-N;142.24;2.22;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda_C2";;;;;;;2.83;;0.57;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM416399;MM416399;COc1nnn(N)c(=O)n1;AZCSSDHCTWZWMH-UHFFFAOYSA-N;143.11;-2.24;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP2_SP4";;;;;;;-2.29;;-5.95;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM416400;MM416400;CONC(=O)C(=NN)NN;MMDHEXDJMXSBPJ-UHFFFAOYSA-N;147.14;-2.6;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_P4";;;;;;;-2.29;;-5.95;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM416401;MM416401;C=CC1=CC2NC2(C#N)C1;XVPSMEAQZAPPFL-UHFFFAOYSA-N;132.17;0.74;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC3_SP1";;;;;;;1.74;;0.29;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM416402;MM416402;CN=C(NO)NNC=NO;PXWJVEYFYUCKDK-UHFFFAOYSA-N;147.14;-1.54;;;;;DOPC;MDCG;27;1;"MARTINI bead: P3_P1";;;;;;;-1.93;;-6.26;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM416403;MM416403;COCCC(C)OC=NN;YABPEAVHUDWZQO-UHFFFAOYSA-N;146.19;0.33;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_Nda";;;;;;;0.87;;-1.99;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM416404;MM416404;CC1=C(CC#N)C=CC1F;IKSJFDWFYANCLL-UHFFFAOYSA-N;137.16;2.12;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC5_SC5";;;;;;;2.41;;0.64;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM416405;MM416405;CC=C(OC)C(=O)NCC;XLVVTWZHDYZXBF-UHFFFAOYSA-N;143.19;0.67;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_C5";;;;;;;0.81;;-0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM416406;MM416406;N=c1nc2onnnc-2[nH]1;HEAUOHQJUQHVPI-UHFFFAOYSA-N;138.09;-1.23;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP2_SP1";;;;;;;-1.06;;-8.66;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM416407;MM416407;CN=CNNC(=NN)NO;HWBDCJVTYOBICY-UHFFFAOYSA-N;146.15;-2.05;;;;;DOPC;MDCG;27;1;"MARTINI bead: P2_P4";;;;;;;-2.29;;-7.32;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM416408;MM416408;CCN=C1C=NC(OC)=N1;BVBMTQMBEWOBJI-UHFFFAOYSA-N;139.16;0.49;;;;;DOPC;MDCG;27;0;"MARTINI bead: SN0_SNa";;;;;;;1.17;;-1.18;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM416409;MM416409;C=CCc1ccn(C)c1C;HVCNBFUVZTUCJA-UHFFFAOYSA-N;135.21;2.06;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC5_SC5";;;;;;;2.41;;0.64;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM416410;MM416410;O=CC1=CC2NC2(C=O)C1;NGYPNSTYYSHFTL-UHFFFAOYSA-N;137.14;-0.58;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNa_SP1";;;;;;;0.04;;-2.54;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM416411;MM416411;Cn1ccc(C#N)cc1=N;CMIMRUPILJHHHF-UHFFFAOYSA-N;133.15;0.38;;;;;DOPC;MDCG;27;1;"MARTINI bead: SNd_SN0";;;;;;;1.17;;-5.62;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM416412;MM416412;CCNC(=O)C(=CN)OC;HOITVZYYEMPQHI-UHFFFAOYSA-N;144.17;-0.43;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_P3";;;;;;;-0.33;;-2.01;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM416413;MM416413;CCN=C1N=CC(CC)=N1;WZUYBHCRAUBSMD-UHFFFAOYSA-N;137.19;1.3;;;;;DOPC;MDCG;27;0;"MARTINI bead: SN0_SN0";;;;;;;1.47;;-0.05;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM416414;MM416414;CN=CNNC(=NO)NO;ULWGLGXCHRDMQX-UHFFFAOYSA-N;147.14;-1.54;;;;;DOPC;MDCG;27;1;"MARTINI bead: N0_P4";;;;;;;-0.88;;-5.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM416415;MM416415;N#CC1=CC2NC2(C=O)C1;JNADHYVJLSFBFP-UHFFFAOYSA-N;134.14;-0.25;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP1_SN0";;;;;;;0.34;;-1.53;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM416416;MM416416;Cc1c(CC#N)ccn1C;DPFOLIULZWYJSW-UHFFFAOYSA-N;134.18;1.4;;;;;DOPC;MDCG;27;0;"MARTINI bead: SN0_SC5";;;;;;;1.94;;0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM416417;MM416417;C=Cc1ccn(N)c(=N)c1;MRUVYKWNFPPOFY-UHFFFAOYSA-N;135.17;0.32;;;;;DOPC;MDCG;27;1;"MARTINI bead: SP1_SN0";;;;;;;0.34;;-4.74;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM416418;MM416418;CNNC(=N)C(=CN)OC;MLMREDCNVQGJGD-UHFFFAOYSA-N;144.18;-0.87;;;;;DOPC;MDCG;27;1;"MARTINI bead: P4_P1";;;;;;;-2.01;;-7.81;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM416419;MM416419;CCOCC(C)OC=NN;IIJCKZXUGUYABK-UHFFFAOYSA-N;146.19;0.33;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_Nda";;;;;;;0.87;;-1.99;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM416420;MM416420;C#CCC=NOC=NNC;MJRRKCWYXUIALV-UHFFFAOYSA-N;139.16;0.17;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_N0";;;;;;;0.34;;-1.53;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM416421;MM416421;C=CCc1ccn(N)c1C;MZUCUOCNAJGPLD-UHFFFAOYSA-N;136.2;1.24;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC5_SNd";;;;;;;1.64;;0.02;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM416422;MM416422;CNNC(=N)C(=CF)OC;XSSSNKSTHNTWEE-UHFFFAOYSA-N;147.15;0.14;;;;;DOPC;MDCG;27;1;"MARTINI bead: P4_N0";;;;;;;-0.88;;-5.16;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM416423;MM416423;N#CC12CC(C=O)=CC1N2;MMMQAHBNDYCKMN-UHFFFAOYSA-N;134.14;-0.25;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNa_SP1";;;;;;;0.04;;-2.54;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM416424;MM416424;C=Cc1ccn(O)c(=N)c1;IMSHHFQDVCAFSX-UHFFFAOYSA-N;136.15;0.85;;;;;DOPC;MDCG;27;1;"MARTINI bead: SNda_SN0";;;;;;;1.17;;-3.93;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM416425;MM416425;CCN=C1N=CC(CF)=N1;XBPIPXKISGJADU-UHFFFAOYSA-N;141.15;0.86;;;;;DOPC;MDCG;27;0;"MARTINI bead: SN0_SNa";;;;;;;1.17;;-1.18;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM416426;MM416426;CNN=CON=CC=CF;HWUVJPQTSMGPND-UHFFFAOYSA-N;145.14;0.63;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_C5";;;;;;;0.81;;-0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM416427;MM416427;C=CCc1ccn(O)c1C;IZMFSUOIEABRTG-UHFFFAOYSA-N;137.18;1.76;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC5_SNda";;;;;;;1.64;;0.05;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM416428;MM416428;CC=C(OC)C(=O)NOC;QPQUYKLZECUUOS-UHFFFAOYSA-N;145.16;0.21;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_C5";;;;;;;0.54;;-1.09;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM416429;MM416429;N#CC1=CC2NC2(C#N)C1;WHBLWNSHYPQFIC-UHFFFAOYSA-N;131.14;0.07;;;;;DOPC;MDCG;27;0;"MARTINI bead: SN0_SP1";;;;;;;0.34;;-1.53;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM416430;MM416430;N=c1cc(C=O)ccn1O;KKMBZMCZXUBBRD-UHFFFAOYSA-N;138.13;0.02;;;;;DOPC;MDCG;27;1;"MARTINI bead: SNda_SNa";;;;;;;0.87;;-4.13;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM416431;MM416431;C=CC=C1C=CC(CC)=C1;YSWSTEYELUTVLD-UHFFFAOYSA-N;132.21;3.01;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC3_SC3";;;;;;;4.27;;0.2;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM416432;MM416432;CC#CC=NOC=NNC;BYFRIQDLYDUCSA-UHFFFAOYSA-N;139.16;0.17;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_C4";;;;;;;1.09;;-0.38;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM416433;MM416433;CONC(=O)C(=CN)OC;VQLNBZBFKQWORD-UHFFFAOYSA-N;146.15;-0.89;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_P1";;;;;;;-1.06;;-3.82;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM416434;MM416434;C=NNC(=N)C=C(F)CF;USBBBVZPEKRQSI-UHFFFAOYSA-N;147.13;0.99;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_P2";;;;;;;0.54;;-1.09;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM416435;MM416435;C=CC1=CC2OC2(C=C)C1;XIDAEKSZVWMMIR-UHFFFAOYSA-N;134.18;1.83;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC3_SNa";;;;;;;2.57;;0.45;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM416436;MM416436;N#Cc1ccn(O)c(=N)c1;DXABLCRUFDMDMB-UHFFFAOYSA-N;135.13;0.08;;;;;DOPC;MDCG;27;1;"MARTINI bead: SNda_SN0";;;;;;;1.17;;-2.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM416437;MM416437;CCC1=CC(=CC=O)C=C1;GHIPJLBJBYVLSP-UHFFFAOYSA-N;134.18;2.02;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC3_SNa";;;;;;;2.57;;0.45;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM416438;MM416438;NN=C(CO)NOC=NO;FQISETFDROULEW-UHFFFAOYSA-N;148.12;-1.81;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_P2";;;;;;;-1.34;;-4.31;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM416439;MM416439;O=C(O)C(=O)C(=O)CCO;KWPKKNZTZXOTOK-UHFFFAOYSA-N;146.1;-1.41;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_P1";;;;;;;-0.79;;-7.98;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM416440;MM416440;C=Cc1ccn(C)c(=O)c1;IDYIVSXEKWCBBW-UHFFFAOYSA-N;135.17;1.03;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNa_SN0";;;;;;;1.17;;-1.18;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM416441;MM416441;Cc1c(CC#N)cnn1O;NUBNVDXAIBSXFA-UHFFFAOYSA-N;137.14;0.49;;;;;DOPC;MDCG;27;0;"MARTINI bead: SN0_SNda";;;;;;;1.17;;-1.13;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM416442;MM416442;C=CC12CC(C=O)=CC1O2;XGCCXTMKKAUTRV-UHFFFAOYSA-N;136.15;0.84;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNa_SNa";;;;;;;0.87;;-2.22;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM416443;MM416443;OCC(=NOC=NO)NO;YCPQNNKFBFVFGW-UHFFFAOYSA-N;149.11;-1.29;;;;;DOPC;MDCG;27;0;"MARTINI bead: P3_P1";;;;;;;-1.93;;-4.72;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM416444;MM416444;CCC1=CC(=CC#N)C=C1;QGCCIVJFYHFKOQ-UHFFFAOYSA-N;131.18;2.34;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC3_SC5";;;;;;;3.34;;0.48;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM416445;MM416445;C=CC12CC(C#N)=CC1O2;JACSWSCZAGSFSX-UHFFFAOYSA-N;133.15;1.16;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNa_SN0";;;;;;;1.17;;-1.18;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM416446;MM416446;CCNC(=O)C(=NO)OC;SOCNVLCGSQKDNM-UHFFFAOYSA-N;146.15;-0.44;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_P1";;;;;;;-0.79;;-3.13;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM416447;MM416447;Cn1ccc(C#N)cc1=O;KTFKAUVXDUNFOB-UHFFFAOYSA-N;134.14;0.26;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNa_SN0";;;;;;;1.17;;-1.18;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM416448;MM416448;Cc1c(CC#N)nnn1C;FPQSRQSSNDOLBW-UHFFFAOYSA-N;136.16;0.19;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNa_SP1";;;;;;;0.04;;-2.54;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM416449;MM416449;C=CC=C1C=CC(CN)=C1;YGJHRLCVARPDOJ-UHFFFAOYSA-N;133.19;1.55;;;;;DOPC;MDCG;27;1;"MARTINI bead: SNd_SC3";;;;;;;2.57;;-0.92;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM416450;MM416450;NN=CON=C(CF)NO;GHHYKMWXKPEMSW-UHFFFAOYSA-N;150.11;-0.83;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_Na";;;;;;;-0.24;;-3.24;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM416451;MM416451;C=CC1=CC2OC2(C=O)C1;GPFYDPVDLBXHQX-UHFFFAOYSA-N;136.15;0.84;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC3_SP1";;;;;;;1.74;;0.29;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM416452;MM416452;CNNC(=O)C(=NN)OC;AFWSWBDMSSCWAR-UHFFFAOYSA-N;146.15;-1.84;;;;;DOPC;MDCG;27;0;"MARTINI bead: P3_P1";;;;;;;-1.93;;-4.72;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM416453;MM416453;C#CCC1=C(C)C(C)C=C1;PZTVBPNYUYUQFV-UHFFFAOYSA-N;132.21;2.53;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC4_SC4";;;;;;;3.53;;0.53;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM416454;MM416454;Cn1cnc(C=O)cc1=N;OYTSOHOATMVZRE-UHFFFAOYSA-N;137.14;-0.29;;;;;DOPC;MDCG;27;1;"MARTINI bead: SP3_SP1";;;;;;;-1.93;;-6.53;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM416455;MM416455;C=CCNN=COC=CC;NXTPQQGRSBQOBX-UHFFFAOYSA-N;140.19;1.26;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_Nd";;;;;;;0.87;;-1.88;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM416456;MM416456;C=CC=C1C=CC(CO)=C1;HQAWUGXYRBPEHG-UHFFFAOYSA-N;134.18;1.59;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNda_SC3";;;;;;;2.57;;0.44;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM416457;MM416457;C=CC1=CC2OC2(C#N)C1;JDOAZLLURYCWEU-UHFFFAOYSA-N;133.15;1.16;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC3_SNa";;;;;;;2.57;;0.45;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM416458;MM416458;C=Cc1cc(=O)n(C)cn1;IDVPKXGSDMGKDL-UHFFFAOYSA-N;136.15;0.42;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP2_SNa";;;;;;;-0.24;;-3.24;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM416459;MM416459;C#CCC1=C(C)C(N)C=C1;HYQFCMVOQMTOPE-UHFFFAOYSA-N;133.19;1.22;;;;;DOPC;MDCG;27;1;"MARTINI bead: SC4_SNd";;;;;;;2.2;;-1.35;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM416460;MM416460;CNNC(=O)C(=NO)OC;HFNHVJYFFNWESO-UHFFFAOYSA-N;147.13;-1.33;;;;;DOPC;MDCG;27;0;"MARTINI bead: P3_P1";;;;;;;-1.93;;-4.72;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM416461;MM416461;NNC(=NO)NOC=NO;JOIPOZLDHJFPTR-UHFFFAOYSA-N;149.11;-1.87;;;;;DOPC;MDCG;27;0;"MARTINI bead: P4_P1";;;;;;;-2.01;;-5.13;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM416462;MM416462;O=CC=C1C=CC(CO)=C1;ZYSOUUSQFLEAIM-UHFFFAOYSA-N;136.15;0.6;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNda_SNa";;;;;;;0.87;;-1.99;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM416463;MM416463;O=CC1=CC2OC2(C=O)C1;KIKJYLXSJXKEOX-UHFFFAOYSA-N;138.12;-0.15;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNa_SP1";;;;;;;0.04;;-2.54;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM416464;MM416464;C=Cc1cc(=O)n(N)cn1;IZHJVIRWJZVWJT-UHFFFAOYSA-N;137.14;-0.4;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP3_SNa";;;;;;;-1.1;;-4.2;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM416465;MM416465;C#CCC1=C(C)C(O)C=C1;GGBWAOCETJPQCJ-UHFFFAOYSA-N;134.18;1.26;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC4_SNda";;;;;;;2.2;;0.49;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM416466;MM416466;Nc1n[nH]n(O)c1=O;CURFHGMPWQNIMV-UHFFFAOYSA-N;116.08;-1.61;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP2_SP3";;;;;;;-2.2;;-9.48;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM416467;MM416467;C=CCNN=COC=CF;TWNVWJJWRGBZJV-UHFFFAOYSA-N;144.15;1.16;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_Nd";;;;;;;0.87;;-1.88;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM416468;MM416468;N#CC=C1C=CC(CO)=C1;BKOKRAHWDSULNZ-UHFFFAOYSA-N;133.15;0.92;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNda_SC5";;;;;;;1.64;;0.05;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM416469;MM416469;N#CC1=CC2OC2(C=O)C1;VLDJEGJYGXWUHZ-UHFFFAOYSA-N;135.12;0.18;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP1_SN0";;;;;;;0.34;;-1.53;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM416470;MM416470;C=CC#CC1NC1C(=O)O;XRKKIAKLTCTFNC-UHFFFAOYSA-N;137.14;-0.4;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_SP1";;;;;;;-0.79;;-8.17;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM416471;MM416471;C#CCC1=C(C)C(F)C=C1;VMOUGFLSXDDKHE-UHFFFAOYSA-N;136.17;2.23;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC4_SC5";;;;;;;2.97;;0.45;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM416472;MM416472;NN=CONC(=NO)NO;HQBNIFSOVLGMMY-UHFFFAOYSA-N;149.11;-1.87;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_P5";;;;;;;-1.94;;-5.95;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM416473;MM416473;C=C(OCC)C(=CF)CN;KOVFYKXTRDJEQR-UHFFFAOYSA-N;145.18;1.35;;;;;DOPC;MDCG;27;1;"MARTINI bead: C5_P1";;;;;;;0.81;;-2.53;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM416474;MM416474;C=CC=C1C=CC(CF)=C1;LXWQLUUFTWTEOY-UHFFFAOYSA-N;136.17;2.56;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC5_SC3";;;;;;;3.34;;0.48;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM416475;MM416475;N#CC12CC(C=O)=CC1O2;OTDNACIADZTDFV-UHFFFAOYSA-N;135.12;0.18;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNa_SNa";;;;;;;0.87;;-2.22;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM416476;MM416476;CC(=O)c1nc(=O)cn[nH]1;JCPPXNCTMWKVPW-UHFFFAOYSA-N;139.11;-0.63;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP3_SP2";;;;;;;-2.2;;-9.54;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM416477;MM416477;C#CCc1ccn(C)c1C;YNJKUPAEKWERGT-UHFFFAOYSA-N;133.19;1.51;;;;;DOPC;MDCG;27;0;"MARTINI bead: SN0_SC5";;;;;;;1.94;;0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM416478;MM416478;ON=CONC(=NO)NO;ASPUFQIDGLDBEZ-UHFFFAOYSA-N;150.09;-1.35;;;;;DOPC;MDCG;27;0;"MARTINI bead: P5_P1";;;;;;;-1.94;;-5.95;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM416479;MM416479;CC=C(CO)C(=O)OCC;KUYMKSKWBTWELN-UHFFFAOYSA-N;144.17;0.49;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_Nda";;;;;;;0.87;;-1.99;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM416480;MM416480;O=CC=C1C=CC(CF)=C1;BZKLXLATMFIPOP-UHFFFAOYSA-N;138.14;1.58;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC5_SNa";;;;;;;1.64;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM416481;MM416481;N#CC1=CC2OC2(C#N)C1;MBQNPQVSLJDKRS-UHFFFAOYSA-N;132.12;0.5;;;;;DOPC;MDCG;27;0;"MARTINI bead: SN0_SNa";;;;;;;1.17;;-1.18;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM416482;MM416482;CCN=C(NNC)C(C)=O;OPRLAULWUREMBR-UHFFFAOYSA-N;143.19;-0.28;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_Na";;;;;;;-0.24;;-3.24;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM416483;MM416483;CC=CCOC(=CC)CC;MXTCXUPVXDXPOG-UHFFFAOYSA-N;140.23;2.89;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4_C2";;;;;;;4.16;;0.44;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM416484;MM416484;C#CCc1ccn(N)c1C;IPXNUBUDIFDMDR-UHFFFAOYSA-N;134.18;0.69;;;;;DOPC;MDCG;27;0;"MARTINI bead: SN0_SNd";;;;;;;1.17;;-1.04;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM416485;MM416485;CCOC(=O)C(=CN)CO;QJQUBQFVGXKXRY-UHFFFAOYSA-N;145.16;-0.62;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_P2";;;;;;;-0.24;;-3.24;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM416486;MM416486;N#CC=C1C=CC(CF)=C1;XJEHSKQGRZGANA-UHFFFAOYSA-N;135.14;1.9;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC5_SC5";;;;;;;2.41;;0.64;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM416487;MM416487;C=CC12CC(C=O)=CN1C2;CSICNJUQMPRXHG-UHFFFAOYSA-N;135.17;0.71;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP1_SP2";;;;;;;-1.06;;-3.82;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM416488;MM416488;C=CC1C=CC(C)(O)C1C;KWDUPMDDJXQGPV-UHFFFAOYSA-N;138.21;1.75;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC3_SNda";;;;;;;2.57;;0.44;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM416489;MM416489;CCC(=CF)OCC=CF;IHJGEQUHMGFBJD-UHFFFAOYSA-N;148.15;2.71;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_C4";;;;;;;2.2;;0.34;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM416490;MM416490;C#CCc1ccn(O)c1C;YNNYBEGQBOFNPE-UHFFFAOYSA-N;135.17;1.21;;;;;DOPC;MDCG;27;0;"MARTINI bead: SN0_SNda";;;;;;;1.17;;-1.13;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM416491;MM416491;CC=C(CF)C(=O)OCC;PSPJCSCUTCONLZ-UHFFFAOYSA-N;146.16;1.47;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_C4";;;;;;;2.2;;0.34;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM416492;MM416492;C#CC1=CC2CC2(C=C)C1;XQCOYIDHWVXDBN-UHFFFAOYSA-N;130.19;2.14;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC4_SC5";;;;;;;2.97;;0.45;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM416493;MM416493;C=CC=C1C=CC(OC)=C1;RXUPENHSTWXUST-UHFFFAOYSA-N;134.18;2.2;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNa_SC3";;;;;;;2.57;;0.45;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM416494;MM416494;C=Cc1cnn(C)c(=O)c1;JBZMUIBSFQYAEL-UHFFFAOYSA-N;136.15;0.42;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP2_SP1";;;;;;;-1.06;;-3.82;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM416495;MM416495;CC=CCOC(=CC)CN;SKSFJYPKNBDZLA-UHFFFAOYSA-N;141.21;1.44;;;;;DOPC;MDCG;27;1;"MARTINI bead: C2_P1";;;;;;;2;;-0.16;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM416496;MM416496;C#CCc1ccn(C)c1N;KUJHYAASLODPGX-UHFFFAOYSA-N;134.18;0.78;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNd_SN0";;;;;;;1.17;;-1.04;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM416497;MM416497;C#CC1=CC2CC2(C=O)C1;ADVSETDHEFLUHC-UHFFFAOYSA-N;132.16;1.15;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNa_SC5";;;;;;;1.64;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM416498;MM416498;CCOC(=O)C(=CF)CF;ULNZSTVDLICMKK-UHFFFAOYSA-N;150.12;1.37;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_C5";;;;;;;1.64;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM416499;MM416499;COC1=CC(=CC=O)C=C1;XMJUGFKDHDYPJA-UHFFFAOYSA-N;136.15;1.21;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNa_SNa";;;;;;;0.87;;-2.22;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM416500;MM416500;Cn1ncc(C#N)cc1=O;IIZJIWMRALAEQC-UHFFFAOYSA-N;135.13;-0.35;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP2_SP1";;;;;;;-1.06;;-3.82;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM416501;MM416501;CC=CCOC(=CF)CN;SJXIHZGVQDFDKQ-UHFFFAOYSA-N;145.18;1.35;;;;;DOPC;MDCG;27;1;"MARTINI bead: C2_P2";;;;;;;1.72;;-0.68;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM416502;MM416502;C#CCc1ccn(N)c1N;ZOIQGDYFYVVTFB-UHFFFAOYSA-N;135.17;-0.04;;;;;DOPC;MDCG;27;0;"MARTINI bead: SN0_SP1";;;;;;;0.34;;-1.53;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM416503;MM416503;C#CC1=CC2CC2(C#N)C1;PXYIBCQZNYKBNI-UHFFFAOYSA-N;129.16;1.48;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC5_SN0";;;;;;;1.94;;0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM416504;MM416504;COC1=CC(=CC#N)C=C1;RJMJJRYIAYENMD-UHFFFAOYSA-N;133.15;1.54;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNa_SC5";;;;;;;1.64;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM416505;MM416505;CN=CNN=C(C#N)C#N;YQKBOIMCWUHIPG-UHFFFAOYSA-N;135.13;-0.36;;;;;DOPC;MDCG;27;0;"MARTINI bead: N0_P1";;;;;;;0.34;;-1.53;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM416506;MM416506;C=Cc1cnn(N)c(=O)c1;YYKQOWIWANPCRD-UHFFFAOYSA-N;137.14;-0.4;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP2_SP1";;;;;;;-1.06;;-3.82;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM416507;MM416507;NCC(=CF)OCC=CF;VVFQEFLJGJDJKK-UHFFFAOYSA-N;149.14;1.26;;;;;DOPC;MDCG;27;1;"MARTINI bead: P2_C4";;;;;;;1.09;;-1.7;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM416508;MM416508;C#CCc1ccn(C)c1O;KMGHWWGIVUOORJ-UHFFFAOYSA-N;135.17;0.91;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNda_SN0";;;;;;;1.17;;-1.13;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM416509;MM416509;CN=C(N)C(=O)ON=CN;FCPGLEIQVIHMOO-UHFFFAOYSA-N;144.13;-1.58;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_P2";;;;;;;-1.34;;-4.31;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM416510;MM416510;C=NN=C1C=CC(CC)=C1;SXAYIIGJYFHFNC-UHFFFAOYSA-N;134.18;1.95;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC3_SC5";;;;;;;3.34;;0.48;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM416511;MM416511;CCOC(=O)C(CO)=NN;FFJUETZUOBYDJE-UHFFFAOYSA-N;146.15;-1.14;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_P2";;;;;;;-0.24;;-3.24;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM416512;MM416512;CONC(=O)C(F)C#N;DZJBQBGVTPAREQ-UHFFFAOYSA-N;132.09;-0.47;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_Na";;;;;;;-0.24;;-8.13;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM416513;MM416513;CC=CCOC(=CC)CO;OQPGRATXYQWLHT-UHFFFAOYSA-N;142.2;1.48;;;;;DOPC;MDCG;27;0;"MARTINI bead: C2_P1";;;;;;;2;;0.29;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM416514;MM416514;C#CCc1cnn(C)c1C;HFGHQVNURWKCJG-UHFFFAOYSA-N;134.18;0.9;;;;;DOPC;MDCG;27;0;"MARTINI bead: SN0_SNa";;;;;;;1.17;;-1.18;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM416515;MM416515;C#CC1=NC2(C#N)CC2N1;WHMZFMQVAQLMBK-UHFFFAOYSA-N;131.14;-0.34;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNd_SP1";;;;;;;0.04;;-2.63;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM416516;MM416516;C=NN=C1C=CC(CN)=C1;BYCUOJKLIRYERN-UHFFFAOYSA-N;135.17;0.5;;;;;DOPC;MDCG;27;1;"MARTINI bead: SNd_SC5";;;;;;;1.64;;-2.08;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM416517;MM416517;C=C(OCC)C(=NN)NC;FZUZZYRRIZHACX-UHFFFAOYSA-N;143.19;0.03;;;;;DOPC;MDCG;27;1;"MARTINI bead: C5_P1";;;;;;;0.81;;-2.4;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM416518;MM416518;C=Cc1cc(=N)n(C)nn1;PPNQFOSSVOKEHZ-UHFFFAOYSA-N;136.16;-0.06;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP2_SP1";;;;;;;-1.06;;-3.82;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM416519;MM416519;CC=CCOC(=CF)CO;BXAJXESMRJYIOO-UHFFFAOYSA-N;146.16;1.38;;;;;DOPC;MDCG;27;0;"MARTINI bead: C2_P2";;;;;;;1.72;;0.27;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM416520;MM416520;C#CCc1cnn(N)c1C;VLCGVWPNHROQQU-UHFFFAOYSA-N;135.17;0.08;;;;;DOPC;MDCG;27;0;"MARTINI bead: SN0_SP1";;;;;;;0.34;;-1.53;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM416521;MM416521;C#CC1=CC2CC2(C=C)O1;VPDCPHWSMCKDMC-UHFFFAOYSA-N;132.16;1.48;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC4_SNa";;;;;;;2.2;;0.34;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM416522;MM416522;C=NN=C1C=CC(CO)=C1;AGHDCBUIPJPXOH-UHFFFAOYSA-N;136.15;0.53;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNda_SC5";;;;;;;1.64;;0.05;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM416523;MM416523;CCN(NC)C(=O)CCF;UNSSMCKIPVMEHK-UHFFFAOYSA-N;148.18;0.33;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_Na";;;;;;;0.04;;-2.54;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM416524;MM416524;C=Cc1cc(=N)n(N)nn1;QXZPNCNERZUTJD-UHFFFAOYSA-N;137.15;-0.89;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP3_SP1";;;;;;;-1.93;;-4.72;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM416525;MM416525;CC=CCOC(=CC)CF;UYWMSDSIDKEXJX-UHFFFAOYSA-N;144.19;2.45;;;;;DOPC;MDCG;27;0;"MARTINI bead: C2_Na";;;;;;;2.83;;0.35;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM416526;MM416526;C#CCc1cnn(O)c1C;WWPHIGWBLBWIIB-UHFFFAOYSA-N;136.15;0.6;;;;;DOPC;MDCG;27;0;"MARTINI bead: SN0_SNda";;;;;;;1.17;;-1.13;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM416527;MM416527;C#CC1=CC2CC2(C=O)O1;CKYCYZKCWDWXMW-UHFFFAOYSA-N;134.13;0.49;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNa_SNa";;;;;;;0.87;;-2.22;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM416528;MM416528;C=NN=C1C=CC(CF)=C1;VNAJWEKQWFWJSQ-UHFFFAOYSA-N;138.15;1.51;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC5_SC5";;;;;;;2.41;;0.64;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM416529;MM416529;CC=C(OC)C(=O)OCC;QAEMPABVGHSKGI-UHFFFAOYSA-N;144.17;1.1;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_C5";;;;;;;1.64;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM416530;MM416530;C=CC1=C(C)C(C)(O)CC1;RWHHDIFNMGQWFI-UHFFFAOYSA-N;138.21;2.03;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC3_SNda";;;;;;;2.57;;0.44;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM416531;MM416531;CCC(=NO)OCC=CF;CUMIIXHFVWNPAV-UHFFFAOYSA-N;147.15;1.68;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_C4";;;;;;;1.37;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM416532;MM416532;C#CCc1cnn(C)c1N;RNKUKYQZDLZWIA-UHFFFAOYSA-N;135.17;0.18;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP1_SN0";;;;;;;0.34;;-1.53;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM416533;MM416533;C#CC1=CC2CC2(C#N)O1;AVFYSYFNSDUSEE-UHFFFAOYSA-N;131.13;0.82;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNa_SN0";;;;;;;1.17;;-1.18;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM416534;MM416534;CCOC(=O)C(=CF)OC;QMLRKXCAJGCSAF-UHFFFAOYSA-N;148.13;1.01;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_N0";;;;;;;1.17;;-1.18;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM416535;MM416535;C=NNC1=CC(=NC)C=C1;IQKVQRBTVNBACY-UHFFFAOYSA-N;135.17;0.72;;;;;DOPC;MDCG;27;1;"MARTINI bead: SC5_SNd";;;;;;;1.64;;-3.05;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM416536;MM416536;C#CC1(C)CC1C(O)CC;QLGCFONFUICTPW-UHFFFAOYSA-N;138.21;1.42;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda_SC5";;;;;;;1.64;;0.05;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM416537;MM416537;CCC(=NO)OCC=NN;MIGUVWGJLFEPKM-UHFFFAOYSA-N;145.16;0.15;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_Nd";;;;;;;0.04;;-2.63;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM416538;MM416538;C=C1C=CC(CCC)=C1C;ZCOYWLQFPIDPLX-UHFFFAOYSA-N;134.22;3.23;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC1_SC5";;;;;;;3.68;;0.46;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM416539;MM416539;C#CC1=CC2NC2(C=C)C1;NLBJZZAVSIPDNY-UHFFFAOYSA-N;131.18;0.85;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNd_SC5";;;;;;;1.64;;0.03;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM416540;MM416540;C=NNC(=N)C(CF)=NN;AQRQRBGQIROAHA-UHFFFAOYSA-N;145.14;-0.55;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_P2";;;;;;;-0.24;;-3.24;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM416541;MM416541;C=NN=C1C=CC(OC)=C1;KRZIITMWUJRVCZ-UHFFFAOYSA-N;136.15;1.14;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNa_SC5";;;;;;;1.64;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM416542;MM416542;C=Cc1cc(=O)n(C)nn1;KZSPSIRXBPMIHW-UHFFFAOYSA-N;137.14;-0.18;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP2_SP1";;;;;;;-1.06;;-3.82;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM416543;MM416543;C#CC1=CC2NC2(C=O)C1;UGYAULFYPYTBCC-UHFFFAOYSA-N;133.15;-0.14;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP1_SC5";;;;;;;0.81;;-0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM416544;MM416544;FC1C=NOC1;YMJMKDFLZUXGCF-UHFFFAOYSA-N;89.07;0.34;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNa_SNa";;;;;;;0.87;;-2.22;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM416545;MM416545;C=CCC1=C(C)C(=C)C=C1;FYUSRWBNQSLTRM-UHFFFAOYSA-N;132.21;3.01;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC1_SC5";;;;;;;3.68;;0.46;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM416546;MM416546;C=C(OCC)C(=NO)OC;ATUAKMZZNNGMFI-UHFFFAOYSA-N;145.16;0.97;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_P1";;;;;;;0.81;;-0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM416547;MM416547;CCCOC(C)OC=NN;KYHCKYDLNZKRFY-UHFFFAOYSA-N;146.19;0.68;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_Nda";;;;;;;0.87;;-1.99;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM416548;MM416548;Cn1nnc(C=O)cc1=O;QQCXTWLKLSHWMJ-UHFFFAOYSA-N;139.11;-1.01;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP2_SP1";;;;;;;-1.06;;-3.82;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM416549;MM416549;CC1=C(CC#N)C=CC1=O;YZIRJYJFDZWAOU-UHFFFAOYSA-N;133.15;1.36;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC5_SNa";;;;;;;1.64;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM416550;MM416550;C#CC1=CC2NC2(C#N)C1;BKOKBWZTYZXTOW-UHFFFAOYSA-N;130.15;0.18;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC5_SP1";;;;;;;0.81;;-0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM416551;MM416551;Nc1c[nH]c(N)c1;RCONKSIPFAYSJB-UHFFFAOYSA-N;97.12;0.18;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP1_SP1";;;;;;;-0.79;;-3.13;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM416552;MM416552;C=NN=C1C=NC(CN)=C1;LCMUZARVDPTGKP-UHFFFAOYSA-N;136.16;-0.03;;;;;DOPC;MDCG;27;1;"MARTINI bead: SP1_SN0";;;;;;;0.34;;-2.97;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM416553;MM416553;C=CCC(=C)C(=CC)CN;XFIWDNLYLRKEOH-UHFFFAOYSA-N;137.23;2.02;;;;;DOPC;MDCG;27;1;"MARTINI bead: C5_C4";;;;;;;2.97;;0.4;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM416554;MM416554;Cn1nnc(C#N)cc1=O;SRFFVJQFRXMMNX-UHFFFAOYSA-N;136.11;-0.95;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP2_SP1";;;;;;;-1.06;;-3.82;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM416555;MM416555;CC1=C(CC#N)C=NC1=N;DVRGCPVLNZXXGU-UHFFFAOYSA-N;133.15;1.28;;;;;DOPC;MDCG;27;0;"MARTINI bead: SN0_SNd";;;;;;;1.17;;-1.04;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM416556;MM416556;NC(N)=C(F)C(=O)C(=O)O;PAESNNKAXYPDMO-UHFFFAOYSA-N;148.09;-1.3;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_P2";;;;;;;-1.06;;-8.45;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM416557;MM416557;C#CC1=CC2OC2(C=C)C1;ZZOKUWFYOWAZRR-UHFFFAOYSA-N;132.16;1.27;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNa_SC5";;;;;;;1.64;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM416558;MM416558;COCOC(C)OC=NN;SDSYORKRIIMQER-UHFFFAOYSA-N;148.16;-0.13;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_Nda";;;;;;;-0.24;;-3.31;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM416559;MM416559;C=CCC(=C)C(=CF)CN;VDJVTRSGLROXLJ-UHFFFAOYSA-N;141.19;1.93;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nda_C4";;;;;;;2.2;;-1.37;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM416560;MM416560;C=Cc1cc(=O)n(N)nn1;WGSWMAMQLITVJT-UHFFFAOYSA-N;138.13;-1;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP2_SP1";;;;;;;-1.06;;-3.82;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM416561;MM416561;CC=CCOC(=NC)NC;FKPRBTJBXXIHSF-UHFFFAOYSA-N;142.2;0.78;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1_C2";;;;;;;2;;-0.1;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM416562;MM416562;CC1=C(CC#N)C=NC1=O;ZDZUFONPDVZLCM-UHFFFAOYSA-N;134.14;0.83;;;;;DOPC;MDCG;27;0;"MARTINI bead: SN0_SNa";;;;;;;1.17;;-1.18;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM416563;MM416563;C=NN=C1C=NC(CF)=C1;VGCZVNOJCRXUTA-UHFFFAOYSA-N;139.13;0.98;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNa_SN0";;;;;;;1.17;;-1.18;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM416564;MM416564;C#CC1=CC2OC2(C=O)C1;QWXFSNXFOQMYEY-UHFFFAOYSA-N;134.13;0.29;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP1_SC5";;;;;;;0.81;;-0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM416565;MM416565;C=CCC(=O)C(=CF)CC;CCYYSJNGIHSKAK-UHFFFAOYSA-N;142.17;2.4;;;;;DOPC;MDCG;27;0;"MARTINI bead: C3_Na";;;;;;;2.57;;0.45;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM416566;MM416566;ON=c1o[nH]nc1O;IPTCSEUKDVDUKQ-UHFFFAOYSA-N;117.06;-1;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP2_SP2";;;;;;;-1.34;;-9.18;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM416567;MM416567;CC=CCC(C)(C)O;SUEXZFRIADOYRU-UHFFFAOYSA-N;114.19;1.72;;;;;DOPC;MDCG;27;0;"MARTINI bead: C2_Nda";;;;;;;2.83;;0.57;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM416568;MM416568;CC1=C(CC#N)N=CC1=O;KUACLDDPORIZLP-UHFFFAOYSA-N;134.14;0.83;;;;;DOPC;MDCG;27;0;"MARTINI bead: SN0_SNa";;;;;;;1.17;;-1.18;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM416569;MM416569;C#CC1=CC2OC2(C#N)C1;MRJJKXWIWCZXHQ-UHFFFAOYSA-N;131.13;0.61;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC5_SNa";;;;;;;1.64;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM416570;MM416570;C=NN=C1C=NC(OC)=C1;YGAOLYCYLKLIOY-UHFFFAOYSA-N;137.14;0.62;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNa_SN0";;;;;;;1.17;;-1.18;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM416571;MM416571;C=CCC(=O)C(=CC)CF;GEHTYSXMBNTPJV-UHFFFAOYSA-N;142.17;2.05;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_C4";;;;;;;2.2;;0.34;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM416572;MM416572;O=C(O)C#CC1CO1;PPXLZXNFXQMBLX-UHFFFAOYSA-N;112.08;-0.53;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_SNa";;;;;;;0.04;;-7.58;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM416573;MM416573;C=C(C)C(O)C(C)C;DWLSOADTNMPXFH-UHFFFAOYSA-N;114.19;1.58;;;;;DOPC;MDCG;27;0;"MARTINI bead: C3_Nda";;;;;;;2.57;;0.44;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM416574;MM416574;C#CCC1=C(C)C(=C)C=C1;XNPVPOLYLBHZSQ-UHFFFAOYSA-N;130.19;2.45;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC4_SC5";;;;;;;2.97;;0.45;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM416575;MM416575;C=NNCC(C)OC=NN;QWSXOPFNCJNBRI-UHFFFAOYSA-N;144.18;-0.5;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda_P1";;;;;;;0.04;;-2.73;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM416576;MM416576;C#CC12CC(CC)=CC1C2;OQSZLJHCBLNNNU-UHFFFAOYSA-N;132.21;2.37;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC2_SC5";;;;;;;3.6;;0.34;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM416577;MM416577;C=CCC(=C)C(CO)=NO;RVNXRNDGOZJQBZ-UHFFFAOYSA-N;141.17;0.94;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_C2";;;;;;;1.72;;0.28;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM416578;MM416578;C=Cc1ccn(C)c(=N)n1;BCZDROHORUEXLO-UHFFFAOYSA-N;135.17;0.54;;;;;DOPC;MDCG;27;1;"MARTINI bead: SNd_SNa";;;;;;;0.87;;-7.82;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM416579;MM416579;C=C1CC2(O)CC1C2;CEFIIKYSKAQLTB-UHFFFAOYSA-N;110.16;1.09;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNda_SC4";;;;;;;2.2;;0.49;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM416580;MM416580;C#CCC1=C(C)C(=O)C=C1;XZIYBNWARASYCV-UHFFFAOYSA-N;132.16;1.47;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC4_SNa";;;;;;;2.2;;0.34;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM416581;MM416581;C#CC12CC(CN)=CC1C2;LZNIOSXRHBYXGQ-UHFFFAOYSA-N;133.19;0.91;;;;;DOPC;MDCG;27;1;"MARTINI bead: SNd_SC5";;;;;;;1.64;;-2.14;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM416582;MM416582;C=COCC(C)OC=NN;ZJFNYFSSTNYPDX-UHFFFAOYSA-N;144.17;0.45;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_Nda";;;;;;;0.87;;-1.99;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM416583;MM416583;C=C(CC=O)C(CO)=NO;BKJCMTJXKWRCEG-UHFFFAOYSA-N;143.14;-0.05;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_Na";;;;;;;0.04;;-2.54;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM416584;MM416584;Cn1ccc(C=O)nc1=N;DAQGQGUNVAPWKL-UHFFFAOYSA-N;137.14;-0.29;;;;;DOPC;MDCG;27;1;"MARTINI bead: SNd_SP1";;;;;;;0.04;;-6.75;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM416585;MM416585;C#CCC1=C(C)C(=N)N=C1;AWTMYKQNTNSPJR-UHFFFAOYSA-N;132.17;1.39;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC5_SNd";;;;;;;1.64;;0.03;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM416586;MM416586;CC(C)(C)C1CC1(C)O;ILSMALOCAMATKI-UHFFFAOYSA-N;128.22;1.8;;;;;DOPC;MDCG;27;0;"MARTINI bead: C3_SNda";;;;;;;2.57;;0.44;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM416587;MM416587;C#CC12CC(CO)=CC1C2;RTARUIVXTMJCAN-UHFFFAOYSA-N;134.18;0.95;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNda_SC5";;;;;;;1.64;;0.05;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM416588;MM416588;O=CC=C1C=C(CF)C=N1;IKHAGQKGYULDFP-UHFFFAOYSA-N;139.13;1.05;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNa_SNa";;;;;;;0.87;;-2.22;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM416589;MM416589;Oc1[nH]ncc1F;UHRATGVKZWTSJW-UHFFFAOYSA-N;102.07;0.25;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP1_SNa";;;;;;;0.04;;-7.38;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM416590;MM416590;Cn1ccc(C#N)nc1=N;XFWYMXQTROYFLA-UHFFFAOYSA-N;134.14;-0.23;;;;;DOPC;MDCG;27;1;"MARTINI bead: SNd_SNa";;;;;;;0.87;;-5.74;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM416591;MM416591;CCC=CCC(C)(C)O;RVPFHKQWDBJHPT-UHFFFAOYSA-N;128.22;2.11;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1_Nda";;;;;;;2.91;;0.57;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM416592;MM416592;C=NOCCC(=O)C=CC;XCXUBEJOAWYHNV-UHFFFAOYSA-N;141.17;1.15;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_P1";;;;;;;0.81;;-0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM416593;MM416593;C#CC12CC(CF)=CC1C2;WBRJRQLPZNMGNX-UHFFFAOYSA-N;136.17;1.93;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC5_SC5";;;;;;;2.41;;0.64;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM416594;MM416594;N#CC=C1C=C(CF)C=N1;WDYBVDPDHFLSAA-UHFFFAOYSA-N;136.13;1.37;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNa_SN0";;;;;;;1.17;;-1.18;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM416595;MM416595;C=C(C#CC(=O)O)C=NO;VORMYKQRUVPSLN-UHFFFAOYSA-N;139.11;0.09;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_N0";;;;;;;0.34;;-6.36;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM416596;MM416596;C=Cc1ccn(N)c(=N)n1;PELRRPBIZJXJIN-UHFFFAOYSA-N;136.16;-0.28;;;;;DOPC;MDCG;27;1;"MARTINI bead: SP2_SNa";;;;;;;-0.24;;-7.12;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM416597;MM416597;NN=CCOC(=NO)NO;VDCYZJCOLZAMCN-UHFFFAOYSA-N;148.12;-1.33;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nd_P3";;;;;;;-1.1;;-3.93;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM416598;MM416598;C=NNC(=N)C#CC=CF;NZUIJWZHCOBVCQ-UHFFFAOYSA-N;139.13;0.66;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_P2";;;;;;;0.54;;-1.09;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM416599;MM416599;C#CC12CC(OC)=CC1C2;CUQTWZZXACJVRD-UHFFFAOYSA-N;134.18;1.56;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC5_SC5";;;;;;;2.41;;0.64;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM416600;MM416600;COC1=CC(=CC=O)N=C1;UCGHORXUCOLYAP-UHFFFAOYSA-N;137.14;0.68;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNa_SNa";;;;;;;0.87;;-2.22;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM416601;MM416601;CNC1=CC(=O)N(C)CC1;IFFCHYQOZSCBRS-UHFFFAOYSA-N;140.19;-0.05;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP1_SNda";;;;;;;0.04;;-2.73;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM416602;MM416602;C=Cc1ccn(O)c(=N)n1;BLNUYYKZXZBGGB-UHFFFAOYSA-N;137.14;0.24;;;;;DOPC;MDCG;27;1;"MARTINI bead: SP2_SNa";;;;;;;-0.24;;-6.72;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM416603;MM416603;CC(C)(O)CC=CCF;JZGIMMGKYGKNOR-UHFFFAOYSA-N;132.18;1.67;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda_Na";;;;;;;0.87;;-1.99;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM416604;MM416604;CC=Cc1ccn(O)c1C;TZKNMFODBDEPTQ-UHFFFAOYSA-N;137.18;2.07;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC5_SNda";;;;;;;1.64;;0.05;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM416605;MM416605;COC1=CC(=CC#N)N=C1;OZMNJRMYYUPNEA-UHFFFAOYSA-N;134.14;1.01;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNa_SN0";;;;;;;1.17;;-1.18;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM416606;MM416606;C#CC12CC1NC(CN)=N2;ISJNFGUAHFJVCA-UHFFFAOYSA-N;135.17;-0.91;;;;;DOPC;MDCG;27;1;"MARTINI bead: SP2_SP1";;;;;;;-1.06;;-4.86;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM416607;MM416607;CNc1cnnc(=NN)o1;XXZDECLWLCIDBK-UHFFFAOYSA-N;141.13;-1.11;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP2_SP3";;;;;;;-2.2;;-5.19;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM416608;MM416608;N=c1nc(C=O)ccn1O;FFELNNRJTJEYNA-UHFFFAOYSA-N;139.11;-0.59;;;;;DOPC;MDCG;27;1;"MARTINI bead: SP2_SP1";;;;;;;-1.06;;-5.23;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM416609;MM416609;CC=Cc1ccn(O)c1N;WIRROSVAYFZAGU-UHFFFAOYSA-N;138.17;1.34;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC5_SP1";;;;;;;0.81;;-0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM416610;MM416610;CC=CCOC(=NO)OC;CHWYFKURAMSQCQ-UHFFFAOYSA-N;145.16;0.97;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_C4";;;;;;;1.37;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM416611;MM416611;CCC1=CC(=NC=N)N=C1;YRBJYYWCGINENG-UHFFFAOYSA-N;135.17;1.41;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC5_SNd";;;;;;;1.64;;0.03;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM416612;MM416612;C=CC(=C)C(=O)CNN=C;NMGXZRJSKHACOZ-UHFFFAOYSA-N;138.17;0.5;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_P1";;;;;;;0.81;;-0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM416613;MM416613;C=C(CC#N)C(=CC)OC;ARYKFBDFHQFKEG-UHFFFAOYSA-N;137.18;2.01;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_N0";;;;;;;1.94;;0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM416614;MM416614;N#Cc1ccn(O)c(=N)n1;VJXUQQUKWBNWHF-UHFFFAOYSA-N;136.11;-0.53;;;;;DOPC;MDCG;27;1;"MARTINI bead: SP2_SNa";;;;;;;-0.24;;-4.34;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM416615;MM416615;CC=Cc1ccn(O)c1O;YQAWMVCLWXOGAW-UHFFFAOYSA-N;139.15;1.46;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC5_SNda";;;;;;;1.64;;0.05;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM416616;MM416616;N=CN=C1C=C(CN)C=N1;VIQVVZWBQCJPCQ-UHFFFAOYSA-N;136.16;-0.04;;;;;DOPC;MDCG;27;1;"MARTINI bead: SNd_SNd";;;;;;;0.87;;-3.96;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM416617;MM416617;COC(=NO)OCC=NN;FDWLQWZMWJOSGJ-UHFFFAOYSA-N;147.13;-0.66;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_P1";;;;;;;-0.79;;-3.13;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM416618;MM416618;C#CC12CC1NC(CF)=N2;WOTYZSMTBPPYBP-UHFFFAOYSA-N;138.15;0.1;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNda_SP1";;;;;;;0.04;;-2.73;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM416619;MM416619;C=C(CC#N)C(=CF)OC;IZFBSOZETDELCV-UHFFFAOYSA-N;141.15;1.91;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4_P1";;;;;;;1.37;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM416620;MM416620;C=Cc1ccn(C)c(=O)n1;MACKUTNBVJZXLM-UHFFFAOYSA-N;136.15;0.42;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP1_SNa";;;;;;;0.04;;-2.54;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM416621;MM416621;CC=Cc1cnn(N)c1C;YAUGELBFZQXMQC-UHFFFAOYSA-N;137.19;0.94;;;;;DOPC;MDCG;27;0;"MARTINI bead: SN0_SP1";;;;;;;0.34;;-1.53;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM416622;MM416622;C#CC(=O)CN(C)N=C;GGCALKQZJDAICZ-UHFFFAOYSA-N;124.14;-0.26;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_P2";;;;;;;-0.24;;-3.24;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM416623;MM416623;C#CCCC(C)OC=NN;IHGQVSKTAYJTLP-UHFFFAOYSA-N;140.19;0.71;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_Nda";;;;;;;1.64;;0.05;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM416624;MM416624;COC(=CN)C(=O)CC=O;GKGVPYKZSBBHPY-UHFFFAOYSA-N;143.14;-0.41;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_Na";;;;;;;-0.24;;-3.24;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM416625;MM416625;C#CC12CC1C=C(CC)O2;OPQWRHHUDBFYJP-UHFFFAOYSA-N;134.18;1.7;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC5_SN0";;;;;;;1.94;;0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM416626;MM416626;Cn1ccc(C=O)nc1=O;SEPJCBVMTUJHPJ-UHFFFAOYSA-N;138.13;-0.41;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP1_SP1";;;;;;;-0.79;;-3.13;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM416627;MM416627;CC=Cc1cnn(N)c1N;XKYBKISHUOWFAV-UHFFFAOYSA-N;138.17;0.21;;;;;DOPC;MDCG;27;0;"MARTINI bead: SN0_SP2";;;;;;;0.06;;-2.21;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM416628;MM416628;CCC(=NO)ON=CNN;FSGUJMICMCBZGA-UHFFFAOYSA-N;146.15;-0.39;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_P3";;;;;;;-0.33;;-2.01;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM416629;MM416629;N=CN=C1C=C(CF)C=N1;IBHMHZZQFGTPOL-UHFFFAOYSA-N;139.13;0.97;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNa_SNd";;;;;;;0.87;;-1.88;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM416630;MM416630;CC=C(CC)C(=N)NC=N;IVJMIOJTKOEHPO-UHFFFAOYSA-N;139.2;1.52;;;;;DOPC;MDCG;27;1;"MARTINI bead: C1_P4";;;;;;;0.85;;-2.93;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM416631;MM416631;C#CC12CC1C=C(CN)O2;XDSZTARGHDCNSS-UHFFFAOYSA-N;135.17;0.25;;;;;DOPC;MDCG;27;1;"MARTINI bead: SP2_SN0";;;;;;;0.06;;-3.64;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM416632;MM416632;Cn1ccc(C#N)nc1=O;ILGOAEMVHZUYQW-UHFFFAOYSA-N;135.13;-0.35;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP1_SNa";;;;;;;0.04;;-2.54;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM416633;MM416633;CC=Cc1ncn(N)c1C;VZXQSMWGUQQRBI-UHFFFAOYSA-N;137.19;0.94;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNa_SP1";;;;;;;0.04;;-2.54;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM416634;MM416634;CCC(=CN)C(=N)NC=N;JNNYQHHETYICRN-UHFFFAOYSA-N;140.19;0.41;;;;;DOPC;MDCG;27;1;"MARTINI bead: C5_P4";;;;;;;-0.41;;-4.92;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM416635;MM416635;C#CC(=O)C=NN(C)C;FULYJPCQOBHALI-UHFFFAOYSA-N;124.14;-0.26;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_Na";;;;;;;-0.24;;-3.24;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM416636;MM416636;C=NN=C1C=C(CC)C=N1;RIZKKIZKNDGHAQ-UHFFFAOYSA-N;135.17;1.42;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC5_SN0";;;;;;;1.94;;0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM416637;MM416637;C#CC12CC1C=C(CO)O2;HCNTVFCYEZDOFI-UHFFFAOYSA-N;136.15;0.28;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP1_SN0";;;;;;;0.34;;-1.53;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM416638;MM416638;C=Cc1ccn(N)c(=O)n1;IKCHNLPMKIMBTF-UHFFFAOYSA-N;137.14;-0.4;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP2_SNa";;;;;;;-0.24;;-3.24;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM416639;MM416639;CNN=C(C)CC=NOC;AKKCZYSLVGYAOW-UHFFFAOYSA-N;143.19;0.6;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nd_Na";;;;;;;0.87;;-1.88;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM416640;MM416640;O=C(O)C(=O)CO;HHDDCCUIIUWNGJ-UHFFFAOYSA-N;104.06;-1.37;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_P1";;;;;;;-1.06;;-8.45;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM416641;MM416641;CC=C(CN)C(=N)NC=O;OPLZDROTDCIBHG-UHFFFAOYSA-N;141.17;-0.39;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_P4";;;;;;;-1.19;;-6.56;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM416642;MM416642;C#CC12CC1C=C(CF)O2;SGLLGQQKMALFMP-UHFFFAOYSA-N;138.14;1.26;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNa_SN0";;;;;;;1.17;;-1.18;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM416643;MM416643;C=NN=C1C=C(CN)C=N1;ZPGMLOAUFODAGQ-UHFFFAOYSA-N;136.16;-0.03;;;;;DOPC;MDCG;27;1;"MARTINI bead: SNd_SN0";;;;;;;1.17;;-2.89;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM416644;MM416644;N=c1cnon1C(=O)O;HZJUWBHTULPVJA-UHFFFAOYSA-N;129.08;-0.52;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP4_SP1";;;;;;;-2.01;;-9.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM416645;MM416645;CC=Cc1nnn(N)c1C;SRCOWEOHNZCVSP-UHFFFAOYSA-N;138.17;0.33;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNa_SP2";;;;;;;-0.24;;-3.24;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM416646;MM416646;C#CCC1(O)C(C)C1C;DLFDHRFDQHZBGH-UHFFFAOYSA-N;124.18;1.03;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNda_N0";;;;;;;1.17;;-1.13;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM416647;MM416647;N=C(NC=O)C(=CN)CN;RKUWIMZGCCNPHE-UHFFFAOYSA-N;142.16;-1.49;;;;;DOPC;MDCG;27;1;"MARTINI bead: P3_P4";;;;;;;-3.15;;-8.22;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM416648;MM416648;CC=C(F)C(=O)ON=CN;KBZBQCVQJAWEDT-UHFFFAOYSA-N;146.12;0.3;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4_P2";;;;;;;1.09;;-0.37;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM416649;MM416649;CNC1=CC(=NC=N)N=C1;JGJVEOXCXQDEKG-UHFFFAOYSA-N;136.16;0.18;;;;;DOPC;MDCG;27;1;"MARTINI bead: SNd_SNd";;;;;;;0.87;;-3.34;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM416650;MM416650;O=C(O)C(=O)C(=O)CO;LWBFGVAWMQAZSI-UHFFFAOYSA-N;132.07;-1.8;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_P2";;;;;;;-1.34;;-9.18;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM416651;MM416651;CCCCC1(O)CC1C;XQLAPCKMJWWSEM-UHFFFAOYSA-N;128.22;1.95;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1_SNda";;;;;;;2.91;;0.57;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM416652;MM416652;CC=CC1=C(C)C(=O)C=C1;RNCXOEPDNIKPLG-UHFFFAOYSA-N;134.18;2.02;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC1_SNa";;;;;;;2.91;;0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM416653;MM416653;CCNc1coc(=NN)o1;WMTWLVOXCPTBHC-UHFFFAOYSA-N;143.15;0.08;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_SP2";;;;;;;-1.06;;-3.82;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM416654;MM416654;CC1(C(=O)ON=CN)CC1;PACDBPLGJLPFRW-UHFFFAOYSA-N;142.16;0.23;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC5_P2";;;;;;;0.54;;-1.09;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM416655;MM416655;C=NN=C1C=C(NC)C=N1;JBNDRFSXHIDJKV-UHFFFAOYSA-N;136.16;0.19;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNd_SN0";;;;;;;1.17;;-1.04;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM416656;MM416656;CCCC1CC1(O)CC;JQVOCAWCPPIACX-UHFFFAOYSA-N;128.22;1.95;;;;;DOPC;MDCG;27;0;"MARTINI bead: C3_SNda";;;;;;;2.57;;0.44;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM416657;MM416657;NN=c1onc(C(=O)O)o1;HVNBNJBATNFNCC-UHFFFAOYSA-N;145.07;-1.26;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP2_P1";;;;;;;-1.06;;-8.67;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM416658;MM416658;CC=CC1=C(C)C(=N)N=C1;KOBSLRMWNYOGDM-UHFFFAOYSA-N;134.18;1.94;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC4_SNd";;;;;;;2.2;;0.35;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM416659;MM416659;C=CNC(=N)C(=CN)CO;LXIXRLFKRNNUAC-UHFFFAOYSA-N;141.17;-0.47;;;;;DOPC;MDCG;27;1;"MARTINI bead: P2_P2";;;;;;;-1.34;;-8.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM416660;MM416660;C#CC12CC(CC)=CC1N2;HRMQAHVFVYEVES-UHFFFAOYSA-N;133.19;1.07;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC2_SP1";;;;;;;2;;0.3;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM416661;MM416661;COC1=CC(=NC=N)N=C1;QVBUIAJPZZUEMA-UHFFFAOYSA-N;137.14;0.61;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNa_SNd";;;;;;;0.87;;-1.88;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM416662;MM416662;C=Cc1ncn(C)c(=N)n1;MIOHCCANDMSMBP-UHFFFAOYSA-N;136.16;-0.06;;;;;DOPC;MDCG;27;1;"MARTINI bead: SP3_SNa";;;;;;;-1.1;;-6.32;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM416663;MM416663;CNC(=NO)ON=CNO;NJXKGXVPPWBZCJ-UHFFFAOYSA-N;148.12;-1.11;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda_P3";;;;;;;-1.1;;-3.97;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM416664;MM416664;CC=CC1=C(C)C(=O)N=C1;NDTHFHTYSXFWDK-UHFFFAOYSA-N;135.17;1.49;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC4_SNa";;;;;;;2.2;;0.34;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM416665;MM416665;C=NN=C1C=C(OC)C=N1;JEZIRMQVXTWNES-UHFFFAOYSA-N;137.14;0.62;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNa_SN0";;;;;;;1.17;;-1.18;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM416666;MM416666;N=CNC(=N)C(=CN)CO;GADMLVIVLUPVDS-UHFFFAOYSA-N;142.16;-1;;;;;DOPC;MDCG;27;1;"MARTINI bead: P2_P4";;;;;;;-2.29;;-7.74;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM416667;MM416667;C#CC12CC(CN)=CC1N2;SMACMGGDISCZSD-UHFFFAOYSA-N;134.18;-0.38;;;;;DOPC;MDCG;27;1;"MARTINI bead: SNd_SP1";;;;;;;0.04;;-4.87;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM416668;MM416668;N#CC1CC(=O)C(=N)N1;NZQVQJKOUQJZOG-UHFFFAOYSA-N;123.12;-0.58;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP1_SP2";;;;;;;-1.06;;-3.82;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM416669;MM416669;C=CC(=C)C1CC1(O)CC;HDRUKWMDVGSIOI-UHFFFAOYSA-N;138.21;1.89;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNda_C3";;;;;;;2.57;;0.44;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM416670;MM416670;CC#CC1=C(C)C(C)C=C1;HAUSRAYWKLGKDO-UHFFFAOYSA-N;132.21;2.53;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC3_SC4";;;;;;;3.9;;0.47;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM416671;MM416671;C=NN=CNCC1(C)CO1;GYGPNVJSOUTLCG-UHFFFAOYSA-N;141.17;0.01;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNa_Nd";;;;;;;0.87;;-1.88;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM416672;MM416672;CCC1=NC(=CC=O)C=C1;RKYZWPCXDSODIH-UHFFFAOYSA-N;135.17;1.49;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC5_SNa";;;;;;;1.64;;-0.04;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM416673;MM416673;CCC1(O)CC1C1CC1C;XLLYBONSLDXQNA-UHFFFAOYSA-N;140.23;1.8;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNda_SC5";;;;;;;1.64;;0.05;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM416674;MM416674;CNN=c1occ(C)o1;UKGLUGGSHIMCSV-UHFFFAOYSA-N;128.13;0.22;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_SP1";;;;;;;-1.06;;-3.82;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM416675;MM416675;C=CC1C=CC(O)(CC)C1;FREFHHDJOWGBLL-UHFFFAOYSA-N;138.21;1.89;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC5_SC4";;;;;;;2.97;;0.45;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM416676;MM416676;CC#CC1=C(C)C(N)C=C1;IBRPSDMVNGJTBY-UHFFFAOYSA-N;133.19;1.22;;;;;DOPC;MDCG;27;1;"MARTINI bead: SC3_SNd";;;;;;;2.57;;-0.63;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM416677;MM416677;C#CC12CC(CF)=CC1N2;RWQFQHBDKQENIH-UHFFFAOYSA-N;137.16;0.63;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC5_SP1";;;;;;;0.81;;-0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM416678;MM416678;CCC1=NC(=CC#N)C=C1;ACBSXCPXXYGTRX-UHFFFAOYSA-N;132.17;1.81;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC5_SN0";;;;;;;1.94;;0.53;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM416679;MM416679;C=CNC(=N)C(=CF)CO;GESJLSFVIUMIQN-UHFFFAOYSA-N;144.15;0.54;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nda_P2";;;;;;;-0.24;;-5.61;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM416680;MM416680;CCC1CC(OC)=NN1;XBHDRHVDMFWSJE-UHFFFAOYSA-N;128.18;0.72;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNd_SP1";;;;;;;0.04;;-2.63;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM416681;MM416681;C=Cc1ncn(C)c(=O)n1;VRHPTBDPMWRDSR-UHFFFAOYSA-N;137.14;-0.18;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP3_SNa";;;;;;;-1.1;;-4.2;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM416682;MM416682;CC#CC1=C(C)C(O)C=C1;HZFYMNLPYNIEBV-UHFFFAOYSA-N;134.18;1.26;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC3_SNda";;;;;;;2.57;;0.44;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM416683;MM416683;C=C(CCOC)OC=NN;RRRSDRSTNVSULN-UHFFFAOYSA-N;144.17;0.46;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_Nda";;;;;;;0.87;;-1.99;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM416684;MM416684;C#CC12CC(OC)=CC1N2;DUDZIALGWZGAHF-UHFFFAOYSA-N;135.17;0.26;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC5_SP1";;;;;;;0.81;;-0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM416685;MM416685;N=CNC(=N)C(=CF)CO;MLSGDFDCEPSYMP-UHFFFAOYSA-N;145.14;0.01;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nda_P4";;;;;;;-1.19;;-5.98;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM416686;MM416686;COC1=CC(=NN)CC1;OWPXRZMEOUBWLZ-UHFFFAOYSA-N;126.16;0.63;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC5_SNd";;;;;;;1.64;;0.02;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM416687;MM416687;CC#CC1=C(C)C(F)C=C1;WGJBVZFPVZYTGK-UHFFFAOYSA-N;136.17;2.23;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC3_SC5";;;;;;;3.34;;0.48;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM416688;MM416688;C=C(COCC)OC=NN;PNDASBUTWZVPID-UHFFFAOYSA-N;144.17;0.46;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_Nda";;;;;;;0.87;;-1.99;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM416689;MM416689;Cn1cnc(C=O)nc1=O;IMBKQFLMEXXONW-UHFFFAOYSA-N;139.11;-1.01;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP3_SP1";;;;;;;-1.93;;-4.72;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM416690;MM416690;C#CC12CC(CC)=CC1O2;BJQSQZSPVGFIPN-UHFFFAOYSA-N;134.18;1.5;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC2_SNa";;;;;;;2.83;;0.35;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM416691;MM416691;N=C(NC=O)C(=CF)CO;JDALXKSEVVZWCQ-UHFFFAOYSA-N;146.12;-0.44;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda_P4";;;;;;;-1.19;;-4.91;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM416692;MM416692;C#CC(=O)C=NN1CC1;GONRIISJUYYUTI-UHFFFAOYSA-N;122.13;-0.51;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_SP3";;;;;;;-1.1;;-4.2;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM416693;MM416693;Cn1cnc(C#N)nc1=O;XLFIHYRHUXNWOI-UHFFFAOYSA-N;136.11;-0.95;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP3_SP1";;;;;;;-1.93;;-4.72;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM416694;MM416694;CC#Cc1ccn(C)c1C;DBKYGCQJZKAYTM-UHFFFAOYSA-N;133.19;1.7;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC5_SC5";;;;;;;2.41;;0.64;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM416695;MM416695;O=CC=C1C=CC(CF)=N1;WKSNYXYOPXRNMR-UHFFFAOYSA-N;139.13;1.05;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNa_SNa";;;;;;;0.87;;-2.22;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM416696;MM416696;C#CC12CC(CN)=CC1O2;ZWWHTIQCTHAVDI-UHFFFAOYSA-N;135.17;0.05;;;;;DOPC;MDCG;27;1;"MARTINI bead: SNd_SNa";;;;;;;0.87;;-4.12;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM416697;MM416697;C=CNC(=N)C(=CN)CF;VIBGNFSIVZAPFL-UHFFFAOYSA-N;143.17;0.51;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nda_P2";;;;;;;-0.24;;-6.94;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM416698;MM416698;CN=c1nconc1N;JVKCSQUWELMMOT-UHFFFAOYSA-N;126.12;-0.82;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP3_SP3";;;;;;;-3.07;;-6.15;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM416699;MM416699;CC#Cc1ccn(N)c1C;SPYJGNHQSKTQCV-UHFFFAOYSA-N;134.18;0.88;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC5_SNd";;;;;;;1.64;;0.02;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM416700;MM416700;C=Cc1ncn(N)c(=O)n1;PIFVBHPWVQMORY-UHFFFAOYSA-N;138.13;-1;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP4_SNa";;;;;;;-1.19;;-4.76;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM416701;MM416701;N#CC=C1C=CC(CF)=N1;MIEICCFUYPRWGN-UHFFFAOYSA-N;136.13;1.37;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNa_SN0";;;;;;;1.17;;-1.18;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM416702;MM416702;C#CC12CC(CO)=CC1O2;RECUNYLBCQGUFB-UHFFFAOYSA-N;136.15;0.08;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNda_SNa";;;;;;;0.87;;-1.99;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM416703;MM416703;N=CNC(=N)C(=CN)CF;KGDYUTVAAUDNRZ-UHFFFAOYSA-N;144.15;-0.03;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nda_P4";;;;;;;-1.19;;-6.59;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM416704;MM416704;CC(C)C=CCC(C)(C)O;COZADWWBGFZSMX-UHFFFAOYSA-N;142.24;2.36;;;;;DOPC;MDCG;27;0;"MARTINI bead: C2_Nda";;;;;;;2.83;;0.57;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM416705;MM416705;NC1=C(F)N=NC1=CO;YIXWKRVRQWWYNS-UHFFFAOYSA-N;129.09;0.95;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNda_SNda";;;;;;;0.87;;-7.16;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM416706;MM416706;COC1=NC(=CC=O)C=C1;SXQXZRGCEVSEHQ-UHFFFAOYSA-N;137.14;0.68;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNa_SNa";;;;;;;0.87;;-2.22;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM416707;MM416707;CC#Cc1ccn(O)c1C;KPELKIYTRVQMIL-UHFFFAOYSA-N;135.17;1.41;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC5_SNda";;;;;;;1.64;;0.05;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM416708;MM416708;C#CC12CC(CF)=CC1O2;NDFJGBWLZXXWDL-UHFFFAOYSA-N;138.14;1.06;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC5_SNa";;;;;;;1.64;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM416709;MM416709;C=CNC(=O)C(=CC)CC;BIRQOLONUNILGA-UHFFFAOYSA-N;139.2;1.6;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1_P2";;;;;;;1.8;;0.4;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM416710;MM416710;C#CC(=C)CCC(C)(C)O;MQRZADDULNYNHL-UHFFFAOYSA-N;138.21;1.73;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda_C5";;;;;;;1.64;;0.05;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM416711;MM416711;N#Cc1cnoc1O;SUECCVXATZIHKZ-UHFFFAOYSA-N;110.07;0.25;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNda_SP1";;;;;;;0.04;;-7.71;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM416712;MM416712;COC1=NC(=CC#N)C=C1;CONJWPYOKWLVNZ-UHFFFAOYSA-N;134.14;1.01;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNa_SN0";;;;;;;1.17;;-1.18;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM416713;MM416713;CC#Cc1ccn(C)c1N;IBDRYBFRNJRLOQ-UHFFFAOYSA-N;134.18;0.98;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC5_SNd";;;;;;;1.64;;0.02;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM416714;MM416714;C#CC12CC(OC)=CC1O2;LUYQLYIEOPOHFP-UHFFFAOYSA-N;136.15;0.69;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC5_SNa";;;;;;;1.64;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM416715;MM416715;CC=C(CC)C(=O)NC=O;ZIKRCMYSJDJNEP-UHFFFAOYSA-N;141.17;0.62;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1_P4";;;;;;;0.85;;-0.64;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM416716;MM416716;ON=CNOC(=NO)NO;RAGLWNGXKNJMOR-UHFFFAOYSA-N;150.09;-1.35;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_P1";;;;;;;-1.06;;-3.82;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM416717;MM416717;C=Cc1cnn(C)c(=N)n1;QWUGCBQZHQFEGG-UHFFFAOYSA-N;136.16;-0.06;;;;;DOPC;MDCG;27;1;"MARTINI bead: SP3_SP1";;;;;;;-1.93;;-5.74;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM416718;MM416718;CCC1=NC(=NC=N)C=C1;IORPSGKRDIKPSD-UHFFFAOYSA-N;135.17;1.41;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC5_SNd";;;;;;;1.64;;0.03;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM416719;MM416719;CC#Cc1ccn(N)c1N;BELPLEXUVPZFCW-UHFFFAOYSA-N;135.17;0.16;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC5_SP1";;;;;;;0.81;;-0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM416720;MM416720;C#CC12CC(C=C)=CC1C2;CTXSYXFAGCGSNQ-UHFFFAOYSA-N;130.19;2.14;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC3_SC5";;;;;;;3.34;;0.48;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM416721;MM416721;C=CNC(=O)C(=CC)CO;ZWKQASJEELFEKZ-UHFFFAOYSA-N;141.17;0.18;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda_P1";;;;;;;0.04;;-2.73;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM416722;MM416722;C=CC(=CC)CCC=CC;PCTXGTHDHFPIRH-UHFFFAOYSA-N;136.24;3.48;;;;;DOPC;MDCG;27;0;"MARTINI bead: C2_C1";;;;;;;4.87;;0.53;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM416723;MM416723;Cn1ncc(C=O)nc1=N;MQNZWNRHCBIFRG-UHFFFAOYSA-N;138.13;-0.89;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP3_SP2";;;;;;;-2.2;;-5.19;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM416724;MM416724;N=CN=C1C=CC(CN)=N1;RSDOFVDUNYFJTH-UHFFFAOYSA-N;136.16;-0.04;;;;;DOPC;MDCG;27;1;"MARTINI bead: SP1_SNd";;;;;;;0.04;;-4.07;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM416725;MM416725;CC#Cc1ccn(O)c1N;AWTVWRVPRYLLRC-UHFFFAOYSA-N;136.15;0.68;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC5_SP1";;;;;;;0.81;;-0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM416726;MM416726;C#CC12CC(C=O)=CC1C2;UIKGYZFEDOCJRE-UHFFFAOYSA-N;132.16;1.15;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNa_SC5";;;;;;;1.64;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM416727;MM416727;C=CNC(=O)C(=CN)CO;UZHSNCUYBZMMQV-UHFFFAOYSA-N;142.16;-0.92;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_P2";;;;;;;-1.34;;-4.31;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM416728;MM416728;C=CC(=CC)CCC=CF;DPVSEZZEONJAQI-UHFFFAOYSA-N;140.2;3.38;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1_C4";;;;;;;4.24;;0.42;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM416729;MM416729;Cn1ncc(C#N)nc1=N;RXCGIFRTJSBPCS-UHFFFAOYSA-N;135.13;-0.83;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP3_SP2";;;;;;;-2.2;;-5.19;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM416730;MM416730;NCC1=NC(=NC=O)C=C1;KFVUTFXXDOIIFU-UHFFFAOYSA-N;137.14;-0.49;;;;;DOPC;MDCG;27;1;"MARTINI bead: SP1_SNa";;;;;;;0.04;;-3.77;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM416731;MM416731;C#CC12CC(C#N)=CC1C2;VANYGUQQBGSCPH-UHFFFAOYSA-N;129.16;1.48;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC5_SN0";;;;;;;1.94;;0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM416732;MM416732;CC#Cc1ccn(C)c1O;GPALGAJTUWNHHY-UHFFFAOYSA-N;135.17;1.1;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC5_SNda";;;;;;;1.64;;0.05;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM416733;MM416733;C=CC(=CF)CCC=CC;ZDWZNBCSCXVWJC-UHFFFAOYSA-N;140.2;3.38;;;;;DOPC;MDCG;27;0;"MARTINI bead: C2_C2";;;;;;;4.78;;0.59;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM416734;MM416734;CCc1[nH]cc(NC)c1C;MHCHCVAUCHEMFB-UHFFFAOYSA-N;138.21;1.93;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC5_SNd";;;;;;;1.64;;0.02;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM416735;MM416735;C=CC1=CC(O)(CC)CC1;UMRIDHUJSMIZQI-UHFFFAOYSA-N;138.21;2.03;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC5_SC3";;;;;;;3.34;;0.48;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM416736;MM416736;C=COCC(=C)OC=NN;OHPPEKYHGBXSEB-UHFFFAOYSA-N;142.16;0.58;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda_Na";;;;;;;0.87;;-1.99;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM416737;MM416737;CC#Cc1ccn(N)c1O;OBNFPTNTZNMHNT-UHFFFAOYSA-N;136.15;0.28;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC5_SNda";;;;;;;1.64;;0.05;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM416738;MM416738;C#CC(C)N(C=O)C=NN;UTXLUDPVLBWRLR-UHFFFAOYSA-N;139.16;-0.63;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_P4";;;;;;;-0.41;;-2.78;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM416739;MM416739;C=CC(=CF)CCC=CF;NPYODTWVAGANHC-UHFFFAOYSA-N;144.16;3.29;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4_C2";;;;;;;4.16;;0.44;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM416740;MM416740;NC=C(CO)C(=O)NC=O;SENIVTCETUFHHF-UHFFFAOYSA-N;144.13;-1.91;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_P4";;;;;;;-2.29;;-5.95;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM416741;MM416741;N=CN=C1C=CC(CF)=N1;OFXNJRRWGGWAOG-UHFFFAOYSA-N;139.13;0.97;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNa_SNd";;;;;;;0.87;;-1.88;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM416742;MM416742;CNC(=NC(=N)C#N)OC;LFFULYYKYFUURF-UHFFFAOYSA-N;140.15;-0.29;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_Nda";;;;;;;-0.24;;-3.31;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM416743;MM416743;CC#Cc1ccn(O)c1O;WZURDCUOEYRYOS-UHFFFAOYSA-N;137.14;0.8;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC5_SNda";;;;;;;1.64;;0.05;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM416744;MM416744;CCC(=O)N(C=NN)CC;ZMYGFEZGWOCAJN-UHFFFAOYSA-N;143.19;0.15;;;;;DOPC;MDCG;27;0;"MARTINI bead: P3_C5";;;;;;;-0.33;;-2.01;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM416745;MM416745;CC=CCCC(C=O)=CC;BCDHJOXTYKTDNF-UHFFFAOYSA-N;138.21;2.49;;;;;DOPC;MDCG;27;0;"MARTINI bead: C2_Na";;;;;;;2.83;;0.35;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM416746;MM416746;C=NN=C1C=CC(CC)=N1;YDOXBXBYKWITJV-UHFFFAOYSA-N;135.17;1.42;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC5_SN0";;;;;;;1.94;;0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM416747;MM416747;Nc1non(N)c1=O;GGUSVLWJZIJGLQ-UHFFFAOYSA-N;116.08;-1.87;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP1_SP3";;;;;;;-1.93;;-4.72;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM416748;MM416748;CC#Cc1ccn(O)c1F;WYAMCUHBDFUWSF-UHFFFAOYSA-N;139.13;1.24;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC5_SNda";;;;;;;1.64;;0.05;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM416749;MM416749;C=Cc1cnn(C)c(=O)n1;ZMVPGLIYOGWZGC-UHFFFAOYSA-N;137.14;-0.18;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP2_SP1";;;;;;;-1.06;;-3.82;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM416750;MM416750;CC=CCCC(C#N)=CC;JKCWDLKYFKCCJA-UHFFFAOYSA-N;135.21;2.81;;;;;DOPC;MDCG;27;0;"MARTINI bead: C2_C5";;;;;;;3.6;;0.34;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM416751;MM416751;C#CC12CC1C=C(C=C)O2;XQFVWDMHLCHAKO-UHFFFAOYSA-N;132.16;1.48;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNa_SN0";;;;;;;1.17;;-1.18;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM416752;MM416752;C=NOCC(=C)OC=NN;QVZGDCIBTSNWNH-UHFFFAOYSA-N;143.15;0.05;;;;;DOPC;MDCG;27;0;"MARTINI bead: N0_P1";;;;;;;0.34;;-1.53;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM416753;MM416753;O=CNC(=O)C(=CF)CO;CBVWQIHLSANWFQ-UHFFFAOYSA-N;147.11;-0.9;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda_P4";;;;;;;-1.19;;-4.91;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM416754;MM416754;Cn1ncc(C=O)nc1=O;OKLHESJPXUFUEE-UHFFFAOYSA-N;139.11;-1.01;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP2_SP2";;;;;;;-1.34;;-4.31;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM416755;MM416755;CC#Cc1cnn(C)c1C;HTVMGFWTLPHQME-UHFFFAOYSA-N;134.18;1.1;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP1_SNa";;;;;;;0.04;;-2.54;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM416756;MM416756;C#CC12CC1C=C(C=O)O2;VUUMWMNSXXZOOU-UHFFFAOYSA-N;134.13;0.49;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNa_SN0";;;;;;;1.17;;-1.18;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM416757;MM416757;CC=C(C=O)CCC=CF;XSILTGWLRJDJAO-UHFFFAOYSA-N;142.17;2.4;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_C4";;;;;;;2.2;;0.34;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM416758;MM416758;C=NN=C1C=CC(CF)=N1;VBYBXOLYRQFOEV-UHFFFAOYSA-N;139.13;0.98;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNa_SN0";;;;;;;1.17;;-1.18;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM416759;MM416759;C=NN=C1C=CCC1;JYDWXLXRDXQBAS-UHFFFAOYSA-N;108.14;1.39;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC5_SC5";;;;;;;2.41;;0.64;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM416760;MM416760;CC#Cc1cnn(N)c1C;UONORTOBIXMBIZ-UHFFFAOYSA-N;135.17;0.28;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP1_SP1";;;;;;;-0.79;;-3.13;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM416761;MM416761;Cn1ncc(C#N)nc1=O;ORBTZCUJOVYFSG-UHFFFAOYSA-N;136.11;-0.95;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP2_SP2";;;;;;;-1.34;;-4.31;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM416762;MM416762;C#CC12CC1C=C(C#N)O2;NTZOQUKLLNSCJC-UHFFFAOYSA-N;131.13;0.82;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC5_SNa";;;;;;;1.64;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM416763;MM416763;COC1=NC(=NC=N)C=C1;QFOOWQWKEYEDRL-UHFFFAOYSA-N;137.14;0.61;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNa_SNd";;;;;;;0.87;;-1.88;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM416764;MM416764;CC=C(C#N)CCC=CF;QEEJHTYILRMTOZ-UHFFFAOYSA-N;139.17;2.72;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_C4";;;;;;;2.97;;0.45;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM416765;MM416765;CC#Cc1cnn(O)c1C;QASADHAIFHCTIX-UHFFFAOYSA-N;136.15;0.8;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP1_SNda";;;;;;;0.04;;-2.73;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM416766;MM416766;NC=C(CF)C(=O)NC=O;VXFQXZGNABBCJH-UHFFFAOYSA-N;146.12;-0.93;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda_P4";;;;;;;-1.19;;-4.91;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM416767;MM416767;C=Cc1cnn(N)c(=O)n1;ZBTJYSUCQXZOID-UHFFFAOYSA-N;138.13;-1;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP3_SP1";;;;;;;-1.93;;-4.72;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM416768;MM416768;C#CC12CC(C=C)=CC1N2;ULKOODMVLUDKCW-UHFFFAOYSA-N;131.18;0.85;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC3_SP1";;;;;;;1.74;;0.29;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM416769;MM416769;CC=CCCC(C#N)=CN;YYIXRCNQHRABMP-UHFFFAOYSA-N;136.2;1.71;;;;;DOPC;MDCG;27;0;"MARTINI bead: C2_P1";;;;;;;2;;0.29;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM416770;MM416770;CC#Cc1cnn(C)c1N;SKKCTRBQLJTWHM-UHFFFAOYSA-N;135.17;0.37;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP1_SP1";;;;;;;-0.79;;-3.13;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM416771;MM416771;CCC1=NC(=CC=O)C=N1;QLTOSWAMWNEVAT-UHFFFAOYSA-N;136.15;0.96;;;;;DOPC;MDCG;27;0;"MARTINI bead: SN0_SP1";;;;;;;0.34;;-1.53;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM416772;MM416772;C#CCC1NC1C=O;YBWIKNFXPCKCRQ-UHFFFAOYSA-N;109.13;-0.45;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP2_N0";;;;;;;0.06;;-2.21;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM416773;MM416773;N=c1nc(O)[nH]c(=NO)o1;TWDMESNHTAGTAP-UHFFFAOYSA-N;144.09;-1.52;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP3_SP3";;;;;;;-3.07;;-10.23;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM416774;MM416774;C#CC12CC(C=O)=CC1N2;IPLDTCMFZIZHQA-UHFFFAOYSA-N;133.15;-0.14;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNa_SP1";;;;;;;0.04;;-2.54;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM416775;MM416775;N#CC(=CN)CCC=CF;DZCZYSQZXUWUCI-UHFFFAOYSA-N;140.16;1.62;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_C4";;;;;;;1.37;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM416776;MM416776;CCC1=NC(=CC#N)C=N1;VUCXJFWTWRHXJL-UHFFFAOYSA-N;133.15;1.29;;;;;DOPC;MDCG;27;0;"MARTINI bead: SN0_SP1";;;;;;;0.34;;-1.53;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM416777;MM416777;CC#Cc1cnn(N)c1N;IDEZZTFHXBCDRR-UHFFFAOYSA-N;136.16;-0.45;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP1_SP2";;;;;;;-1.06;;-3.82;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM416778;MM416778;C#CCN1CC1C(=O)O;PWWJWPJLDZNQRY-UHFFFAOYSA-N;125.13;-0.61;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_SNd";;;;;;;0.04;;-7.63;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM416779;MM416779;CCC1=CCC(C)(O)C1;AJFIELUIGLSGMM-UHFFFAOYSA-N;126.2;1.87;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC2_SNda";;;;;;;2.83;;0.57;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM416780;MM416780;CC=COC(C)OC=NN;PMWJYQFETJHESR-UHFFFAOYSA-N;144.17;0.8;;;;;DOPC;MDCG;27;0;"MARTINI bead: C3_P3";;;;;;;0.6;;-0.8;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM416781;MM416781;C#CC12CC(C#N)=CC1N2;QLOAUZDEZZLUIE-UHFFFAOYSA-N;130.15;0.18;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP1_SN0";;;;;;;0.34;;-1.53;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM416782;MM416782;N#CC1=CC(=CO)N=C1;AITBWEPNEUDTCA-UHFFFAOYSA-N;120.11;0.92;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNda_SP1";;;;;;;0.04;;-7.71;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM416783;MM416783;CC=CCCC(C=O)=CF;JICUBQWNAZXWGE-UHFFFAOYSA-N;142.17;2.4;;;;;DOPC;MDCG;27;0;"MARTINI bead: C2_Na";;;;;;;2.83;;0.35;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM416784;MM416784;CC#Cc1cnn(O)c1N;YIPHZKQUHCTRGG-UHFFFAOYSA-N;137.14;0.07;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP1_SP2";;;;;;;-1.06;;-3.82;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM416785;MM416785;CC(=NN(C)C=O)NN;VHEZLPXXMNGONA-UHFFFAOYSA-N;130.15;-1.13;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_P2";;;;;;;-1.34;;-4.31;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM416786;MM416786;N#CC=C1C=NC(CO)=N1;ZKBDOXWRCNMLQI-UHFFFAOYSA-N;135.13;-0.13;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP2_SP1";;;;;;;-1.06;;-3.82;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM416787;MM416787;C#CC12CC(C=C)=CC1O2;DZRQTMLCCQZVIB-UHFFFAOYSA-N;132.16;1.27;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC3_SNa";;;;;;;2.57;;0.45;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM416788;MM416788;CC=CCCC(C#N)=CF;WKNRVTMXAPSQPE-UHFFFAOYSA-N;139.17;2.72;;;;;DOPC;MDCG;27;0;"MARTINI bead: C2_Na";;;;;;;2.83;;0.35;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM416789;MM416789;C=Cc1nnn(C)c(=N)n1;PEVXKLHDDCPURC-UHFFFAOYSA-N;137.15;-0.67;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP3_SP2";;;;;;;-2.2;;-5.19;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM416790;MM416790;C=C(NC=N)C(CC)=NN;ZBMNILKRMIQQJY-UHFFFAOYSA-N;140.19;0.42;;;;;DOPC;MDCG;27;1;"MARTINI bead: C4_P3";;;;;;;0.23;;-3.44;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM416791;MM416791;N#CC=C(C=NO)C(=O)O;PPKDRZLPNCLFNZ-UHFFFAOYSA-N;140.1;-0.02;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda_P2";;;;;;;-0.24;;-8.47;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM416792;MM416792;O=CC=C1C=NC(CF)=N1;IKEQVGQIHFPRNF-UHFFFAOYSA-N;140.12;0.52;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP1_SP1";;;;;;;-0.79;;-3.13;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM416793;MM416793;N#CC(=CF)CCC=CF;WFBYBNSGCXZMKT-UHFFFAOYSA-N;143.14;2.63;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4_Na";;;;;;;2.2;;0.34;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM416794;MM416794;C#CC12CC(C=O)=CC1O2;YYVTWUCFSGTGIK-UHFFFAOYSA-N;134.13;0.29;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNa_SNa";;;;;;;0.87;;-2.22;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM416795;MM416795;C=NNCC(=O)CCC;DWDXKUOMHGSOGT-UHFFFAOYSA-N;128.18;0.56;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_P2";;;;;;;0.54;;-1.09;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM416796;MM416796;ON=c1nnoc(O)c1F;UAZVHFDXMRNVBK-UHFFFAOYSA-N;147.07;-0.8;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP2_SP2";;;;;;;-1.34;;-9.6;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM416797;MM416797;Cn1nnc(C=O)nc1=N;NJYCFNLLIFFTAG-UHFFFAOYSA-N;139.12;-1.5;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP3_SP2";;;;;;;-2.2;;-5.19;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM416798;MM416798;N#CC=C1C=NC(CF)=N1;IELSTLKIIWLJAN-UHFFFAOYSA-N;137.12;0.85;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP1_SP1";;;;;;;-0.79;;-3.13;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM416799;MM416799;C#CC12CC(C#N)=CC1O2;XSBRKPWQLUPRCF-UHFFFAOYSA-N;131.13;0.61;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNa_SN0";;;;;;;1.17;;-1.18;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM416800;MM416800;C=CC(=CC)CCC=NN;VJEJELHEUBOYBG-UHFFFAOYSA-N;138.21;1.84;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1_Nd";;;;;;;2.91;;0.64;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM416802;MM416802;Cn1nnc(C#N)nc1=N;WXHITGKNPOYFHB-UHFFFAOYSA-N;136.12;-1.44;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP3_SP2";;;;;;;-2.2;;-5.19;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM416801;MM416801;CC#Cc1ncn(C)c1C;JZDNEAFHWSUALV-UHFFFAOYSA-N;134.18;1.1;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNa_SP1";;;;;;;0.04;;-2.54;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM416803;MM416803;N=C(NC=O)C(CO)=NN;ULDCSPUMIVGNRH-UHFFFAOYSA-N;144.13;-1.98;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_P4";;;;;;;-2.29;;-5.95;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM416804;MM416804;CNC1=NC(=CC=O)C=N1;WFSMFERMXZZJGJ-UHFFFAOYSA-N;137.14;-0.27;;;;;DOPC;MDCG;27;1;"MARTINI bead: SP1_SP1";;;;;;;-0.79;;-4.51;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM416805;MM416805;C=CC(=CC)CCC=NO;PFJXRJQEYJMJDT-UHFFFAOYSA-N;139.2;2.36;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1_P1";;;;;;;2.08;;0.48;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM416806;MM416806;C#CC12CC(C=O)=CN1C2;VLEIBIVLPUOECO-UHFFFAOYSA-N;133.15;0.16;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP2_SNd";;;;;;;-0.24;;-3.16;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM416807;MM416807;C=Cc1nnn(N)c(=N)n1;XPZKFADUBWRVNX-UHFFFAOYSA-N;138.13;-1.49;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP3_SP2";;;;;;;-2.2;;-5.19;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM416808;MM416808;CC#Cc1ncn(N)c1C;VQUHAWUYUHXVRS-UHFFFAOYSA-N;135.17;0.28;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNa_SP1";;;;;;;0.04;;-2.54;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM416809;MM416809;CC=NNCC(=O)CC;YUKLESYKPBDSNN-UHFFFAOYSA-N;128.18;0.56;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_Nd";;;;;;;0.87;;-1.88;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM416810;MM416810;C=CC(=CF)CCC=NO;QHNAWIYGRVDEON-UHFFFAOYSA-N;143.16;2.27;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_C2";;;;;;;2;;0.3;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM416811;MM416811;C#CC12CC(C#N)=CN1C2;MQTPFUFCGRTPMB-UHFFFAOYSA-N;130.15;0.49;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP3_SP1";;;;;;;-1.93;;-4.72;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM416812;MM416812;CNC1=NC(=CC#N)C=N1;SLGXYDDOPHHILH-UHFFFAOYSA-N;134.14;0.05;;;;;DOPC;MDCG;27;1;"MARTINI bead: SP1_SP1";;;;;;;-0.79;;-4.19;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM416813;MM416813;C=C(C)C(C)=NN=CCF;ZCNQXLAAGKSFSI-UHFFFAOYSA-N;142.18;1.98;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1_P1";;;;;;;2.08;;0.48;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM416814;MM416814;C=NN(C)C(=N)C(F)=CN;JHUIRCDGFFGDBB-UHFFFAOYSA-N;144.15;0.28;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_Nda";;;;;;;-0.24;;-3.31;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM416815;MM416815;CCNN=CC(F)CF;LBASSDYESUNTCE-UHFFFAOYSA-N;136.15;0.89;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nd_Na";;;;;;;0.87;;-1.88;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM416816;MM416816;CC=C(C=O)CCC=NO;SSRJHDMDCXVMBN-UHFFFAOYSA-N;141.17;1.37;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda_Na";;;;;;;0.87;;-1.99;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM416817;MM416817;CC(OC=CF)OC=NN;RADXQFYOFJJNSE-UHFFFAOYSA-N;148.14;0.71;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_Nda";;;;;;;0.87;;-1.99;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM416818;MM416818;C#CC1=CC2CC2(C#C)C1;BVMGPDUNLSLTEK-UHFFFAOYSA-N;128.17;1.59;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC5_SC5";;;;;;;2.41;;0.64;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM416819;MM416819;CC#Cc1ncn(C)c1N;HQQKYPMXQAXIIZ-UHFFFAOYSA-N;135.17;0.37;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNa_SP2";;;;;;;-0.24;;-3.24;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM416820;MM416820;CCC(C)=NNC=CC#N;AAJJOJWMHYAWKN-UHFFFAOYSA-N;137.19;1.4;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_P1";;;;;;;0.81;;-0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM416821;MM416821;N=CNC(=O)C(CO)=NN;FYUISMQLTUABPD-UHFFFAOYSA-N;144.13;-1.98;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_P4";;;;;;;-2.29;;-5.95;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM416822;MM416822;CC=C(C#N)CCC=NO;LOWMHLHQBHRDJW-UHFFFAOYSA-N;138.17;1.7;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_P1";;;;;;;0.81;;-0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM416823;MM416823;C#CC1=NC2(C#C)CC2N1;BULLQDPJHHTACW-UHFFFAOYSA-N;130.15;-0.23;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNd_SP1";;;;;;;0.04;;-2.63;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM416824;MM416824;C=C(CC=NN)OC=NN;SUCMMESUDOZITP-UHFFFAOYSA-N;142.16;-0.25;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nd_Nda";;;;;;;0.87;;-1.92;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM416825;MM416825;CCOC(=NN)N(N)C=O;BTXKPIWNWMAOSJ-UHFFFAOYSA-N;146.15;-1.42;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda_P4";;;;;;;-1.19;;-4.91;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM416826;MM416826;CC#Cc1ncn(N)c1N;PACHCCFGRPZLTG-UHFFFAOYSA-N;136.16;-0.45;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNa_SP2";;;;;;;-0.24;;-3.24;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM416827;MM416827;NN=C(CO)C(=O)NC=O;KEDGDDLWCXVQDS-UHFFFAOYSA-N;145.12;-2.43;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_P4";;;;;;;-2.29;;-5.95;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM416828;MM416828;C=CC(CCC=CC)=NN;SQKBZFZDNZPDNM-UHFFFAOYSA-N;138.21;1.84;;;;;DOPC;MDCG;27;0;"MARTINI bead: C2_C5";;;;;;;3.6;;0.34;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM416829;MM416829;C#CC1=CC2CC2(C#C)O1;VPPAZIZBJGFNEK-UHFFFAOYSA-N;130.15;0.93;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNa_SN0";;;;;;;1.17;;-1.18;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM416830;MM416830;COC1=NC(=CC#N)C=N1;PKLJQBPROCFSSX-UHFFFAOYSA-N;135.13;0.48;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNa_SP1";;;;;;;0.04;;-2.54;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM416831;MM416831;C=Cc1nnn(C)c(=O)n1;ITOIEHXEBHTLII-UHFFFAOYSA-N;138.13;-0.79;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP3_SP2";;;;;;;-2.2;;-5.19;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM416832;MM416832;C=NNC(C)C(C)C(C)=O;ZSJXPSVNDHDBTR-UHFFFAOYSA-N;142.2;0.81;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nd_Na";;;;;;;0.87;;-1.88;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM416833;MM416833;CN=c1oc(O)nn1C;TUSCTFRFPKEIHB-UHFFFAOYSA-N;129.12;-0.75;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP2_SP1";;;;;;;-1.06;;-8.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM416834;MM416834;CC(C)(O)CC=CCCF;SGUYONRXBVIXSW-UHFFFAOYSA-N;146.21;2.06;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda_C5";;;;;;;1.64;;0.05;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM416835;MM416835;C#CC1=CC2NC2(C#C)C1;FBMBEQKINCMDKS-UHFFFAOYSA-N;129.16;0.29;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC5_SP1";;;;;;;0.81;;-0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM416836;MM416836;Cn1nnc(C=O)nc1=O;ZXTQKYDMAHEVCK-UHFFFAOYSA-N;140.1;-1.62;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP3_SP2";;;;;;;-2.2;;-5.19;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM416837;MM416837;CCC1=NC(=NC=N)C=N1;ILOSRZMVPCFPHI-UHFFFAOYSA-N;136.16;0.88;;;;;DOPC;MDCG;27;0;"MARTINI bead: SN0_SP1";;;;;;;0.34;;-1.53;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM416838;MM416838;CC#Cc1nnn(C)c1C;OFKUAXJDXAXBPK-UHFFFAOYSA-N;135.17;0.49;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNa_SP1";;;;;;;0.04;;-2.54;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM416839;MM416839;Cc1coc(NC=N)n1;FBLOLJHGMQGCNP-UHFFFAOYSA-N;125.13;1;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNa_SP1";;;;;;;0.04;;-2.54;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM416840;MM416840;C#CC1=CC2OC2(C#C)C1;MLSKQDCGBBXUGP-UHFFFAOYSA-N;130.15;0.72;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC5_SNa";;;;;;;1.64;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM416841;MM416841;C=CC(CCC=CF)=NO;OKFJWOKEIRAHKH-UHFFFAOYSA-N;143.16;2.27;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda_C4";;;;;;;2.2;;0.49;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM416842;MM416842;Cn1nnc(C#N)nc1=O;OVSOZRTWZSSQGB-UHFFFAOYSA-N;137.1;-1.56;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP3_SP2";;;;;;;-2.2;;-5.19;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM416843;MM416843;CC#Cc1nnn(N)c1C;YQZBFQOCDPMATH-UHFFFAOYSA-N;136.16;-0.33;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNa_SP2";;;;;;;-0.24;;-3.24;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM416845;MM416845;COC=CC(C)OC=NN;GOKTZCQDYFWFJW-UHFFFAOYSA-N;144.17;0.45;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_Nda";;;;;;;0.87;;-1.99;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM416844;MM416844;C=NNC(=O)C(CC)=NN;TXQWAMTVRMSFPB-UHFFFAOYSA-N;142.16;-0.56;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda_P1";;;;;;;0.04;;-2.73;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM416846;MM416846;CC(C)(O)CC=CCC#N;ZDQHDRAXVSZUGI-UHFFFAOYSA-N;139.2;1.62;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda_C5";;;;;;;1.64;;0.05;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM416847;MM416847;C#CC12CC1N(C)CC2C;GQTHTWBTZPKZHP-UHFFFAOYSA-N;135.21;0.96;;;;;DOPC;MDCG;27;1;"MARTINI bead: SNd_SN0";;;;;;;1.17;;-3.13;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM416848;MM416848;C=Cc1nnn(N)c(=O)n1;RHRLPFHRCSKFTP-UHFFFAOYSA-N;139.12;-1.61;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP4_SP2";;;;;;;-2.29;;-5.95;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM416849;MM416849;C=NNC(=O)C(CO)=NN;XQRUKTPSCWFEPS-UHFFFAOYSA-N;144.13;-1.97;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_P1";;;;;;;-1.06;;-3.82;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM416850;MM416850;CC#Cc1nnn(C)c1N;IWWZBMXHGOWQIB-UHFFFAOYSA-N;136.16;-0.23;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNa_SP2";;;;;;;-0.24;;-3.24;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM416851;MM416851;N=CN=C1C=NC(CF)=N1;FHIWPYXNYXNMLS-UHFFFAOYSA-N;140.12;0.44;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP1_SP1";;;;;;;-0.79;;-3.13;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM416852;MM416852;C#CCC=CCC(C)(C)O;FAGQKVBJCCHQMD-UHFFFAOYSA-N;138.21;1.73;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda_C3";;;;;;;2.57;;0.44;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM416853;MM416853;C=CC12CC1C(=N)NC2C;ICARARYKNGHNOF-UHFFFAOYSA-N;136.2;1.15;;;;;DOPC;MDCG;27;1;"MARTINI bead: SNd_SN0";;;;;;;1.17;;-5.43;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM416854;MM416854;COCC(=CN)C(=O)O;CPKNOQAVYLJRBD-UHFFFAOYSA-N;131.13;-0.44;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_P1";;;;;;;-0.79;;-8.17;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM416855;MM416855;C=NN=C1C=NC(CF)=N1;ULZDVRPAWRMPDM-UHFFFAOYSA-N;140.12;0.45;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP1_SN0";;;;;;;0.34;;-1.53;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM416856;MM416856;C#CC1(CC)NC1C(=O)O;VRCQJFZUSQWVBN-UHFFFAOYSA-N;139.15;-0.18;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNd_P1";;;;;;;0.04;;-7.45;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM416857;MM416857;CC#Cc1nnn(N)c1N;VQZJIVROOJIOKN-UHFFFAOYSA-N;137.15;-1.05;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNa_SP3";;;;;;;-1.1;;-4.2;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM416858;MM416858;C=CC(=CC)CNC=NC;IUIHQRCNYGXGNG-UHFFFAOYSA-N;138.21;1.37;;;;;DOPC;MDCG;27;1;"MARTINI bead: C1_P2";;;;;;;1.8;;-2.07;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM416859;MM416859;C=CC12CC1C(=O)NC2C;SFPWBCKRGSIIJV-UHFFFAOYSA-N;137.18;0.7;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP2_SN0";;;;;;;0.06;;-2.21;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM416860;MM416860;NN=c1nncc(N)o1;ARHYYUZDKIXOJU-UHFFFAOYSA-N;127.11;-1.57;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP3_SP3";;;;;;;-3.07;;-6.15;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM416861;MM416861;C#CC=CC(C)OC=NN;GUXIEVUOAVFPCI-UHFFFAOYSA-N;138.17;0.48;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda_N0";;;;;;;1.17;;-1.13;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM416862;MM416862;NC(=O)C(=O)C(=O)O;WBHSUSSIPGDBEC-UHFFFAOYSA-N;117.06;-1.87;;;;;DOPC;MDCG;27;0;"MARTINI bead: P3_P1";;;;;;;-1.93;;-9.01;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM416863;MM416863;C#CC(=C)CC(O)CCC;DVAARXDAWIUPQS-UHFFFAOYSA-N;138.21;1.73;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda_C5";;;;;;;1.64;;0.05;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM416864;MM416864;C=C1C=CC(C#CC)=C1C;XZCWVPLGWSNMJG-UHFFFAOYSA-N;130.19;2.45;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC3_SC5";;;;;;;3.34;;0.48;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM416865;MM416865;C#CC12CC1C(=O)CC2=C;XYYBHISIEUMREB-UHFFFAOYSA-N;132.16;1.15;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNa_SC4";;;;;;;2.2;;0.34;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM416866;MM416866;C=C(C=COC)OC=NN;KDBPMWFRKHJRMO-UHFFFAOYSA-N;142.16;0.58;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_Nda";;;;;;;0.87;;-1.99;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM416867;MM416867;CC#CC1=C(C)C(=O)C=C1;AQLFRDPXQZECOC-UHFFFAOYSA-N;132.16;1.47;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC3_SNa";;;;;;;2.57;;0.45;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM416868;MM416868;C=CC1NC1C(=O)CC;ZBZKNOZDYABSML-UHFFFAOYSA-N;125.17;0.49;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_SP1";;;;;;;0.04;;-2.54;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM416869;MM416869;O=CCN(O)C(=O)C(=O)O;SAOMXZKJVVZPGG-UHFFFAOYSA-N;147.09;-1.51;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_P3";;;;;;;-1.1;;-8.57;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM416870;MM416870;CC=C(C#N)CNC=NC;UCRACEUVZNSRTP-UHFFFAOYSA-N;137.19;0.7;;;;;DOPC;MDCG;27;1;"MARTINI bead: C5_P2";;;;;;;0.54;;-4.05;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM416871;MM416871;CCC12CC1C(C)=CC2C;AFOQSEBYHLCOQZ-UHFFFAOYSA-N;136.24;3;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC1_SC4";;;;;;;4.24;;0.42;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM416872;MM416872;C=NN=CC(=C)OC=NN;DAYRFGDEWYCWGB-UHFFFAOYSA-N;140.15;0.11;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda_N0";;;;;;;1.17;;-1.13;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM416873;MM416873;CC#CC1=C(C)C(=N)N=C1;KEHHTKJSRUYXBA-UHFFFAOYSA-N;132.17;1.39;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC5_SNd";;;;;;;1.64;;0.03;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM416874;MM416874;CN=CNCC(C#N)=CN;SXJCPGXGQSLORG-UHFFFAOYSA-N;138.17;-0.4;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1_P1";;;;;;;-0.79;;-6.09;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM416875;MM416875;C#Cc1ccn(C)c(=N)c1;XUWSLWBBEPZSCE-UHFFFAOYSA-N;132.17;0.49;;;;;DOPC;MDCG;27;1;"MARTINI bead: SNd_SN0";;;;;;;1.17;;-6.05;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM416876;MM416876;CC#CCC1NC1C=O;YXTSMPFNGICPJH-UHFFFAOYSA-N;123.16;-0.06;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4_SP2";;;;;;;1.09;;-0.37;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM416877;MM416877;CCC12CC1C(F)=CC2C;VCKALFCHEZZDJW-UHFFFAOYSA-N;140.2;2.91;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC1_SC5";;;;;;;3.68;;0.46;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM416878;MM416878;COC1=NC(=NC=N)C=N1;ISGALTWPXWTJLO-UHFFFAOYSA-N;138.13;0.08;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNa_SP1";;;;;;;0.04;;-2.54;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM416879;MM416879;CC#CC1=C(C)C(=O)N=C1;FQDXJFFPNBNABV-UHFFFAOYSA-N;133.15;0.94;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC5_SNa";;;;;;;1.64;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM416880;MM416880;CC1=CC(C)(O)CC1(C)C;ZWFYJQMWLWKXFW-UHFFFAOYSA-N;140.23;2.11;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNda_SC1";;;;;;;2.91;;0.57;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM416881;MM416881;C#Cc1ccn(N)c(=N)c1;KCDBYDKKCSXPQF-UHFFFAOYSA-N;133.15;-0.34;;;;;DOPC;MDCG;27;1;"MARTINI bead: SP1_SN0";;;;;;;0.34;;-4.2;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM416882;MM416882;CN=CNCC(C=O)=CF;DWMVHLQNJAPVHC-UHFFFAOYSA-N;144.15;0.29;;;;;DOPC;MDCG;27;1;"MARTINI bead: P2_Na";;;;;;;-0.24;;-6.3;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM416883;MM416883;CCC12NC1C(F)=CC2C;FGLDESUUJPFMPA-UHFFFAOYSA-N;141.19;1.61;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNd_SC5";;;;;;;1.64;;0.02;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM416884;MM416884;CCC1=NC(=CC=O)N=C1;NVJXDOPEMPESQQ-UHFFFAOYSA-N;136.15;0.96;;;;;DOPC;MDCG;27;0;"MARTINI bead: SN0_SNa";;;;;;;1.17;;-1.18;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM416885;MM416885;C=CCn1nc(N)c(=O)o1;CLKSMPFOKNBNMO-UHFFFAOYSA-N;141.13;-0.4;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP2_SP2";;;;;;;-1.34;;-4.31;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM416886;MM416886;CC=NNCC(C=O)=CC;XCZGKFGUGNPEAI-UHFFFAOYSA-N;140.19;0.73;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nd_Na";;;;;;;0.87;;-1.88;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM416887;MM416887;C=CC(O)C(C)C(C)(C)C;MGLCKUXVMHAXOR-UHFFFAOYSA-N;142.24;2.22;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_C3";;;;;;;3.34;;0.48;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM416888;MM416888;C#Cc1ccn(O)c(=N)c1;HUIVXNIAXOETGW-UHFFFAOYSA-N;134.14;0.19;;;;;DOPC;MDCG;27;1;"MARTINI bead: SNda_SN0";;;;;;;1.17;;-3.38;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM416889;MM416889;C=CC12CC1C(F)=CC2C;XXIYNWNAZCYHCT-UHFFFAOYSA-N;138.19;2.68;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC5_SC4";;;;;;;2.97;;0.45;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM416890;MM416890;CC#CC1=C(C)C(=O)C=N1;MWCZPXFAOVGXAJ-UHFFFAOYSA-N;133.15;0.94;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC4_SNa";;;;;;;2.2;;0.34;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM416891;MM416891;CCC1=NC(=CC#N)N=C1;RUWLHCLXQRXNDZ-UHFFFAOYSA-N;133.15;1.29;;;;;DOPC;MDCG;27;0;"MARTINI bead: SN0_SN0";;;;;;;1.47;;-0.05;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM416892;MM416892;CC1CC(C)C(C)(CO)C1;IJQYRGZOCCPTRU-UHFFFAOYSA-N;142.24;2.05;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC3_SC5";;;;;;;3.34;;0.48;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM416893;MM416893;CN=C(NO)C(=O)NC=O;MJZGXNIEDDOSDX-UHFFFAOYSA-N;145.12;-1.73;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_P4";;;;;;;-2.29;;-5.95;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM416894;MM416894;C#Cc1ccn(C)c(=O)c1;GBYSFSKTIDMLNI-UHFFFAOYSA-N;133.15;0.37;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNa_SN0";;;;;;;1.17;;-1.18;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM416895;MM416895;C=CC12OC1C(F)=CC2C;MLXPDGWBVDKXTB-UHFFFAOYSA-N;140.16;1.81;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC5_SC5";;;;;;;2.41;;0.64;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM416896;MM416896;CC=NNCC(C=O)=CF;XMLKORYBOSYNQP-UHFFFAOYSA-N;144.15;0.63;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nd_Na";;;;;;;0.87;;-1.88;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM416897;MM416897;C=CCC1=C(C)C(F)=CC1;JHIUAHNSYRBAIG-UHFFFAOYSA-N;138.19;3.14;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC1_SC5";;;;;;;3.68;;0.46;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM416898;MM416898;C=CC#CC(C)OC=NN;UVDPHNCYJIMPOM-UHFFFAOYSA-N;138.17;0.48;;;;;DOPC;MDCG;27;0;"MARTINI bead: P3_C2";;;;;;;0.86;;-0.3;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM416899;MM416899;C=CC(F)(F)CNCC=O;WOARCFZDUFJRED-UHFFFAOYSA-N;149.14;0.6;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_P2";;;;;;;0.54;;-1.09;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM416900;MM416900;C#Cc1ccn(N)c(=O)c1;UDSFQUAEPXWFES-UHFFFAOYSA-N;134.14;-0.46;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP1_SN0";;;;;;;0.34;;-1.53;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM416901;MM416901;C#CC12CC1C(C)=CC2=C;UEIJEDIYXDNZJE-UHFFFAOYSA-N;130.19;2.14;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC4_SC5";;;;;;;2.97;;0.45;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM416902;MM416902;C#CC#CC(C)OC=NN;IHXXNBJYODIAST-UHFFFAOYSA-N;136.15;-0.07;;;;;DOPC;MDCG;27;0;"MARTINI bead: P3_C2";;;;;;;0.86;;-0.3;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM416903;MM416903;C#CCC1=C(C)C(C)=CC1;WRZJHQDZIIKAIM-UHFFFAOYSA-N;132.21;2.68;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC5_SC4";;;;;;;2.97;;0.45;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM416904;MM416904;CN(C)CC(=NN)C(F)F;CTHGCOSXLHWUQN-UHFFFAOYSA-N;151.16;0.13;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_N0";;;;;;;0.34;;-1.53;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM416905;MM416905;O=CCNCC(F)(F)C=O;KICLQWVYZBDWGE-UHFFFAOYSA-N;151.11;-0.39;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_P2";;;;;;;-0.24;;-3.24;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM416906;MM416906;C#Cc1cc(=O)n(C)cn1;DXNXQQTUWDLOMP-UHFFFAOYSA-N;134.14;-0.24;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP2_SNa";;;;;;;-0.24;;-3.24;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM416907;MM416907;C#CC12CC1C(F)=CC2=C;ZRAHCJSDHCSRIO-UHFFFAOYSA-N;134.15;2.05;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC5_SC5";;;;;;;2.41;;0.64;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM416908;MM416908;C#CCC1=C(C)C(F)=CC1;BYONRKNCNFFEGN-UHFFFAOYSA-N;136.17;2.58;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC4_SC5";;;;;;;2.97;;0.45;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM416909;MM416909;O=CC=C1N=CC(CF)=N1;DNBYASOVTUPVGH-UHFFFAOYSA-N;140.12;0.52;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNa_SNa";;;;;;;0.87;;-2.22;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM416910;MM416910;NN=C(NO)C(=O)NC=O;IOZPLQWWLXYTAI-UHFFFAOYSA-N;146.11;-2.49;;;;;DOPC;MDCG;27;0;"MARTINI bead: P3_P3";;;;;;;-3.07;;-6.15;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM416911;MM416911;C=CC(CNN=CC)=NN;TZIGKKSOQCPJEX-UHFFFAOYSA-N;140.19;0.08;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nd_Nd";;;;;;;0.87;;-2.11;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM416912;MM416912;C#Cc1cnn(N)c(=N)c1;GIKMBVRKYPGBAH-UHFFFAOYSA-N;134.14;-0.94;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP2_SP1";;;;;;;-1.06;;-3.82;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM416913;MM416913;CCC12CCC(C)C1C2C;WWULVZSKPRRKJC-UHFFFAOYSA-N;138.25;3.08;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC3_SC3";;;;;;;4.27;;0.2;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM416914;MM416914;C#CCc1[nH]cc(C)c1C;LBJOFNXRTUGXJH-UHFFFAOYSA-N;133.19;1.81;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC5_SNd";;;;;;;1.64;;0.02;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM416915;MM416915;C=C(NC=N)C(=CC)OC;DWFXJCGSYKJWQX-UHFFFAOYSA-N;140.19;1.25;;;;;DOPC;MDCG;27;1;"MARTINI bead: C1_P3";;;;;;;0.94;;-2.34;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM416916;MM416916;C=CC(=CC)COC=CC;VXIGZGUNKHAQIY-UHFFFAOYSA-N;138.21;2.67;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_C1";;;;;;;2.91;;0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM416917;MM416917;N#CC=C1N=CC(CF)=N1;FPVFOAJJTNUJOK-UHFFFAOYSA-N;137.12;0.85;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNa_SN0";;;;;;;1.17;;-1.18;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM416918;MM416918;C=NOC(=NN)C(F)=CN;IGUAZCSNQQWGJX-UHFFFAOYSA-N;146.13;-0.34;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda_P1";;;;;;;0.04;;-2.73;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM416919;MM416919;CC1CCC2(CN)C(C)C12;BZMUYAGIGHVIBW-UHFFFAOYSA-N;139.24;1.63;;;;;DOPC;MDCG;27;1;"MARTINI bead: SC3_SNd";;;;;;;2.57;;-1.2;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM416920;MM416920;CC=CC1=C(C)C(C)=CC1;UVCWSJHWCDYJHT-UHFFFAOYSA-N;134.22;3.23;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC1_SC5";;;;;;;3.68;;0.46;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM416921;MM416921;C=C(NC=O)C(=CC)OC;QXFLXRDNTZLZDN-UHFFFAOYSA-N;141.17;0.8;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_P2";;;;;;;0.54;;-1.09;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM416922;MM416922;COC1=NC(=CC=O)N=C1;VMULLRFEDBXJFU-UHFFFAOYSA-N;138.13;0.16;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNa_SNa";;;;;;;0.87;;-2.22;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM416923;MM416923;C#Cc1cnn(C)c(=O)c1;PVSJERSDAOMFHQ-UHFFFAOYSA-N;134.14;-0.24;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP2_SP1";;;;;;;-1.06;;-3.82;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM416924;MM416924;C=CC(=CC)COC=CF;AMVSUTSOAYOIMB-UHFFFAOYSA-N;142.17;2.58;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1_Na";;;;;;;2.91;;0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM416925;MM416925;CCCC(=NN)N(N)C=O;MEJYQYDWGHAJCE-UHFFFAOYSA-N;144.18;-0.61;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_P3";;;;;;;-0.33;;-2.01;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM416926;MM416926;CC#CC1=C(C)C(C)=CC1;MHEKKSWNGRKIPN-UHFFFAOYSA-N;132.21;2.68;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC3_SC5";;;;;;;3.34;;0.48;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM416927;MM416927;COC1=NC(=CC#N)N=C1;LWNNWZUXUUIPCD-UHFFFAOYSA-N;135.13;0.48;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNa_SN0";;;;;;;1.17;;-1.18;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM416928;MM416928;C=C(NC=N)C(=CF)OC;ZENJISRSFWICAE-UHFFFAOYSA-N;144.15;1.15;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nda_Na";;;;;;;0.87;;-4.18;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM416929;MM416929;CC=COCC(C=O)=CC;ZTZBCFBBZMNAEN-UHFFFAOYSA-N;140.18;1.68;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_Na";;;;;;;0.87;;-2.22;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM416930;MM416930;C#Cc1cnn(N)c(=O)c1;OGURSTSESSKVGG-UHFFFAOYSA-N;135.13;-1.06;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP2_SP1";;;;;;;-1.06;;-3.82;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM416931;MM416931;CC=CC(=NN)N(C)C=O;QIPKEAJPEMQHDR-UHFFFAOYSA-N;141.17;-0.08;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4_P5";;;;;;;0.22;;-2.65;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM416932;MM416932;CC#CC1=C(C)C(F)=CC1;JPJRKZQNIWIXJG-UHFFFAOYSA-N;136.17;2.58;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC3_SC5";;;;;;;3.34;;0.48;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM416933;MM416933;C=CNC(=N)C(=CC)OC;QWGYWBIYLOXYAF-UHFFFAOYSA-N;140.19;1.25;;;;;DOPC;MDCG;27;1;"MARTINI bead: C5_P1";;;;;;;0.81;;-4.54;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM416934;MM416934;CCC1=NC(=NC=N)N=C1;PGXLVLWVRHTJIZ-UHFFFAOYSA-N;136.16;0.88;;;;;DOPC;MDCG;27;0;"MARTINI bead: SN0_SP1";;;;;;;0.34;;-1.53;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM416935;MM416935;C#Cc1cc(=O)n(C)nn1;LAXRIUGTBRQBLE-UHFFFAOYSA-N;135.13;-0.84;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP2_SP1";;;;;;;-1.06;;-3.82;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM416936;MM416936;CC=COCC(C#N)=CC;ITVSFIUKCBZGPQ-UHFFFAOYSA-N;137.18;2.01;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_C5";;;;;;;1.64;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM416937;MM416937;CCC12CCC(F)C1C2C;OZXYULDUOCGBDN-UHFFFAOYSA-N;142.22;2.78;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC3_SC5";;;;;;;3.34;;0.48;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM416938;MM416938;CC(C)n1nc(N)c(=O)o1;AYJLAPOJIWCLIM-UHFFFAOYSA-N;143.15;;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP2_SP1";;;;;;;-1.06;;-3.82;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM416939;MM416939;N=CN=C1N=CC(CF)=N1;AASMAMWHEOVCBW-UHFFFAOYSA-N;140.12;0.44;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNa_SP1";;;;;;;0.04;;-2.54;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM416940;MM416940;CC=C(OC)C(=N)NC=O;STNOUWDTHOODSB-UHFFFAOYSA-N;142.16;0.26;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_P4";;;;;;;-0.41;;-2.78;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM416941;MM416941;C#Cc1ccn(C)c(=N)n1;XAZOCFBIXLYLIF-UHFFFAOYSA-N;133.15;-0.12;;;;;DOPC;MDCG;27;1;"MARTINI bead: SNd_SNa";;;;;;;0.87;;-7.19;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM416942;MM416942;CC=C(C=O)COC=CF;ZIEWNQASAGISCE-UHFFFAOYSA-N;144.15;1.59;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_Na";;;;;;;0.87;;-2.22;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM416943;MM416943;CC1C2C(F)CCC12CN;PBTKAIXZWPHMRU-UHFFFAOYSA-N;143.21;1.33;;;;;DOPC;MDCG;27;1;"MARTINI bead: SC5_SNd";;;;;;;1.64;;-2.37;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM416944;MM416944;CC#Cc1[nH]cc(F)c1C;OELMQLWZVNGAGO-UHFFFAOYSA-N;137.16;1.83;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC5_SNa";;;;;;;1.64;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM416945;MM416945;C=NN=C1N=CC(CC)=N1;NQPMSXQYNOLLAA-UHFFFAOYSA-N;136.16;0.89;;;;;DOPC;MDCG;27;0;"MARTINI bead: SN0_SN0";;;;;;;1.47;;-0.05;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM416946;MM416946;COC(=CN)C(=N)NC=N;GRJYFIAWBSXDHL-UHFFFAOYSA-N;142.16;-0.39;;;;;DOPC;MDCG;27;1;"MARTINI bead: P2_P2";;;;;;;-1.34;;-6.12;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM416947;MM416947;C#Cc1ccn(N)c(=N)n1;SLQCNMGEJOZEFZ-UHFFFAOYSA-N;134.14;-0.94;;;;;DOPC;MDCG;27;1;"MARTINI bead: SP2_SNa";;;;;;;-0.24;;-6.37;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM416948;MM416948;CC=C(C#N)COC=CF;WKIQNGYNNSTMJC-UHFFFAOYSA-N;141.15;1.91;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_Na";;;;;;;1.64;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM416949;MM416949;COC12CCC(N)C1C2C;FIPTYHQXIALQBZ-UHFFFAOYSA-N;141.21;0.76;;;;;DOPC;MDCG;27;1;"MARTINI bead: SC5_SNd";;;;;;;1.64;;-2.87;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM416950;MM416950;C#CC(C=O)NC(C)C=O;XQLXXHMXSUOWDW-UHFFFAOYSA-N;139.15;-0.64;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_P2";;;;;;;-0.24;;-3.24;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM416951;MM416951;COC1=NC(=NC=N)N=C1;GUQVYLROKKUIQG-UHFFFAOYSA-N;138.13;0.08;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNa_SP1";;;;;;;0.04;;-2.54;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM416952;MM416952;C=CNC(=O)C(=CC)OC;XHKDLPVGAFMVSM-UHFFFAOYSA-N;141.17;0.8;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_P2";;;;;;;0.54;;-1.09;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM416953;MM416953;C#Cc1ccn(O)c(=N)n1;JIEAVXJVQPEFIP-UHFFFAOYSA-N;135.13;-0.42;;;;;DOPC;MDCG;27;1;"MARTINI bead: SP2_SNa";;;;;;;-0.24;;-5.93;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM416954;MM416954;CC=COCC(C=O)=CN;OXORAWFKHWJYLU-UHFFFAOYSA-N;141.17;0.58;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_P2";;;;;;;0.54;;-1.09;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM416955;MM416955;COC12CCC(O)C1C2C;MZTCPIABRAUNOM-UHFFFAOYSA-N;142.2;0.79;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC5_SNda";;;;;;;1.64;;0.05;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM416956;MM416956;CC#Cc1[nH]cc(F)c1N;JHSVWNSULIFRNC-UHFFFAOYSA-N;138.15;1.11;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC5_SNda";;;;;;;1.64;;0.05;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM416957;MM416957;C#CC=C1C=CC(CC)=C1;BTRITIREHXPCJL-UHFFFAOYSA-N;130.19;2.45;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC3_SC4";;;;;;;3.9;;0.47;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM416958;MM416958;C=NNC(=O)C(=CC)OC;JIHRPWOAEJRTME-UHFFFAOYSA-N;142.16;0.27;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_P2";;;;;;;0.54;;-1.09;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM416959;MM416959;NC=C(C=O)COC=CF;NOHGWEKKMKZVFR-UHFFFAOYSA-N;145.13;0.49;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_N0";;;;;;;0.06;;-2.21;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM416960;MM416960;CCC12CNC(C)C1C2C;QANDYFWCXVLENX-UHFFFAOYSA-N;139.24;1.64;;;;;DOPC;MDCG;27;1;"MARTINI bead: SN0_SNd";;;;;;;1.17;;-4.72;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM416961;MM416961;C#Cc1ccn(C)c(=O)n1;LGWNXBGDYCENMG-UHFFFAOYSA-N;134.14;-0.24;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP1_SNa";;;;;;;0.04;;-2.54;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM416962;MM416962;CC#Cc1occ(C)c1C;RYSVYUCSOAYLRR-UHFFFAOYSA-N;134.18;2.27;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC5_SC4";;;;;;;2.97;;0.45;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM416963;MM416963;C#CC=C1C=CC(CN)=C1;LONRJHNMLYSMHZ-UHFFFAOYSA-N;131.18;1;;;;;DOPC;MDCG;27;1;"MARTINI bead: SNd_SC4";;;;;;;2.2;;-1.62;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM416964;MM416964;N#CC(=CN)COC=CF;WKRABTOYFNBZQX-UHFFFAOYSA-N;142.13;0.81;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_N0";;;;;;;0.34;;-1.53;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM416965;MM416965;CCCC1=CCC(C)(O)C1;PXSQWUJNYSTTLB-UHFFFAOYSA-N;140.23;2.26;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC1_SNda";;;;;;;2.91;;0.57;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM416966;MM416966;CC1NCC2(CO)C(C)C12;DOYGZAXPXPEJLT-UHFFFAOYSA-N;141.21;0.22;;;;;DOPC;MDCG;27;1;"MARTINI bead: SNd_SP1";;;;;;;0.04;;-5.8;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM416967;MM416967;C#Cc1ccn(N)c(=O)n1;RBVHLSAUBAOSER-UHFFFAOYSA-N;135.13;-1.06;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP2_SNa";;;;;;;-0.24;;-3.24;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM416968;MM416968;CC#Cc1occ(N)c1C;WFDQTZIOASMWFJ-UHFFFAOYSA-N;135.17;1.54;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC5_SNd";;;;;;;1.64;;0.02;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM416969;MM416969;CC=COCC(C#N)=CF;XWQKRAOFDMJHCA-UHFFFAOYSA-N;141.15;1.91;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_Na";;;;;;;1.64;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM416970;MM416970;C#CC=C1C=CC(CO)=C1;WCIYXYWJDVSEOE-UHFFFAOYSA-N;132.16;1.03;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNda_SC4";;;;;;;2.2;;0.49;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM416971;MM416971;CNC12CNC(C)C1C2C;MKYBHNUZMUNNJY-UHFFFAOYSA-N;140.23;0.2;;;;;DOPC;MDCG;27;1;"MARTINI bead: SP1_SNd";;;;;;;0.04;;-5.57;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM416972;MM416972;C=C(NC=O)C(=NO)OC;HFNQYZXBGNDIEN-UHFFFAOYSA-N;144.13;-0.32;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda_P3";;;;;;;-1.1;;-3.97;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM416973;MM416973;N#CCC(O)CC(=O)O;ADZQCEUEGXRCJY-UHFFFAOYSA-N;129.12;-0.26;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_P1";;;;;;;-1.06;;-8.67;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM416974;MM416974;CC#Cc1occ(F)c1C;LTLZPRMGDBXOCJ-UHFFFAOYSA-N;138.14;2.1;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC5_SC5";;;;;;;2.41;;0.64;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM416975;MM416975;O=CC(=CF)COC=CF;QOMPDEWPKRMVTD-UHFFFAOYSA-N;148.11;1.5;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_Na";;;;;;;0.87;;-2.22;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM416976;MM416976;C#CC=C1C=CC(CF)=C1;UDRCMALCYRYDRV-UHFFFAOYSA-N;134.15;2.01;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC5_SC4";;;;;;;2.97;;0.45;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM416977;MM416977;COC(=NN)C(=N)NC=O;HUPOKFRJZLIGFB-UHFFFAOYSA-N;144.13;-1.37;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_P4";;;;;;;-2.01;;-5.13;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM416978;MM416978;CNC12COC(C)C1C2C;NMBOXTYCPIZTJM-UHFFFAOYSA-N;141.21;0.63;;;;;DOPC;MDCG;27;1;"MARTINI bead: SNd_SNa";;;;;;;0.87;;-4;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM416979;MM416979;C#Cc1ncn(C)c(=N)n1;CWALOIRDBMLUSZ-UHFFFAOYSA-N;134.14;-0.72;;;;;DOPC;MDCG;27;1;"MARTINI bead: SP3_SP1";;;;;;;-1.93;;-6.01;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM416980;MM416980;CC#Cc1occ(F)c1N;XGTZVXSLRWEZFO-UHFFFAOYSA-N;139.13;1.37;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC5_SNda";;;;;;;1.64;;0.05;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM416981;MM416981;C#CC=C1C=CC(OC)=C1;AEOJMSMXSOVBFX-UHFFFAOYSA-N;132.16;1.65;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNa_SC4";;;;;;;2.2;;0.34;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM416982;MM416982;N#CC(=CF)COC=CF;XJSNMUNPVOQWJK-UHFFFAOYSA-N;145.11;1.82;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_Na";;;;;;;0.87;;-2.22;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM416983;MM416983;COC(=NO)C(=N)NC=O;NSEAGDAXUPRVFO-UHFFFAOYSA-N;145.12;-0.86;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_P4";;;;;;;-2.29;;-5.95;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM416984;MM416984;CC1C2C(O)CNC12CO;WKYYMLWKPXKNSQ-UHFFFAOYSA-N;143.19;-1.05;;;;;DOPC;MDCG;27;1;"MARTINI bead: SP2_SP1";;;;;;;-1.06;;-6.26;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM416985;MM416985;C#CC(CON=C)OC=C;ZGYKPIBGASNUIL-UHFFFAOYSA-N;139.15;0.78;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_P1";;;;;;;0.81;;-0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM416986;MM416986;C=CC1=CC(=CCC)C=C1;BVADCESUCKMMBU-UHFFFAOYSA-N;132.21;3.01;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC3_SC4";;;;;;;3.9;;0.47;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM416987;MM416987;CC#Cc1onc(C)c1C;SPBGEOKKAIGCJL-UHFFFAOYSA-N;135.17;1.66;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC5_SNa";;;;;;;1.64;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM416988;MM416988;CCCCCC1(O)CC1C;DPSOOTJBJPILTR-UHFFFAOYSA-N;142.24;2.34;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1_SNda";;;;;;;2.91;;0.57;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM416989;MM416989;C=CNC(=O)C(=NN)OC;ZVKJTBJUTFMMJX-UHFFFAOYSA-N;143.15;-0.84;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_P2";;;;;;;-1.06;;-3.82;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM416990;MM416990;CCC12OCC(O)C1C2C;ACWOIDRGPZSKSZ-UHFFFAOYSA-N;142.2;0.79;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC5_SP1";;;;;;;0.81;;-0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM416991;MM416991;C#Cc1ncn(C)c(=O)n1;DDDMCNNZRRBDOX-UHFFFAOYSA-N;135.13;-0.84;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP3_SP1";;;;;;;-1.93;;-4.72;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM416992;MM416992;C=CC1=CC(=CCN)C=C1;PYVRQXGLBZVCBO-UHFFFAOYSA-N;133.19;1.55;;;;;DOPC;MDCG;27;1;"MARTINI bead: SNd_SC4";;;;;;;2.2;;-1.65;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM416993;MM416993;CC#Cc1onc(F)c1C;DKIDQOMKKOGITF-UHFFFAOYSA-N;139.13;1.49;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC5_SNa";;;;;;;1.64;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM416994;MM416994;C=CC(=CC)COC=NO;MSFLIHZNSGJHBF-UHFFFAOYSA-N;141.17;1.55;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1_P2";;;;;;;1.8;;0.4;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM416995;MM416995;COC(=NN)C(=O)NC=N;UUDORXZLYVBBTA-UHFFFAOYSA-N;144.13;-1.37;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_P4";;;;;;;-2.01;;-5.13;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM416996;MM416996;CC1C2N(C)CCC12CN;MSRWOSOBZUWHKX-UHFFFAOYSA-N;140.23;0.29;;;;;DOPC;MDCG;27;1;"MARTINI bead: SNd_SNd";;;;;;;0.87;;-4.46;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM416997;MM416997;C#Cc1ncn(N)c(=O)n1;NNOGJCOCYAXLFQ-UHFFFAOYSA-N;136.11;-1.67;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP4_SP1";;;;;;;-2.01;;-5.13;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM416998;MM416998;C=CC1=CC(=CCO)C=C1;LJPYIHLLXYTVGA-UHFFFAOYSA-N;134.18;1.59;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNda_SC4";;;;;;;2.2;;0.49;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM416999;MM416999;CC#Cc1onc(F)c1N;ATJLGJZTRQEACI-UHFFFAOYSA-N;140.12;0.77;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC5_SNda";;;;;;;1.64;;0.05;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM417000;MM417000;C=C1C(C)CC2C1C2(C)O;AJIJBUKPSDMZJG-UHFFFAOYSA-N;138.21;1.58;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC3_SNda";;;;;;;2.57;;0.44;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM417001;MM417001;COC(=NN)C(=O)NC=O;ADKISJSSYNAPNI-UHFFFAOYSA-N;145.12;-1.82;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_P4";;;;;;;-2.01;;-5.13;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM417002;MM417002;COC12CCN(C)C1C2C;WHMPAYNBFUDMTG-UHFFFAOYSA-N;141.21;0.73;;;;;DOPC;MDCG;27;1;"MARTINI bead: SP1_SNd";;;;;;;0.04;;-4.33;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM417003;MM417003;Oc1nnn(O)c1F;LGCBDAPNOHDACL-UHFFFAOYSA-N;119.06;-0.64;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP2_SP1";;;;;;;-1.06;;-8.67;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM417004;MM417004;CCC=C1C=CC(C=O)=C1;URQZJAMLUDREIR-UHFFFAOYSA-N;134.18;2.02;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC3_SNa";;;;;;;2.57;;0.45;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM417005;MM417005;N#CCNNC(=O)C(=O)O;GRIMUGNVYXSLTR-UHFFFAOYSA-N;143.1;-1.78;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_P2";;;;;;;-1.06;;-9.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM417006;MM417006;C=CC(=CF)COC=NO;OZOUYJGGWIDPMN-UHFFFAOYSA-N;145.13;1.46;;;;;DOPC;MDCG;27;0;"MARTINI bead: P3_C2";;;;;;;0.86;;-0.3;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM417007;MM417007;CCC12CCC(C)C1N2C;GSFPPPIYPKBVTL-UHFFFAOYSA-N;139.24;1.88;;;;;DOPC;MDCG;27;1;"MARTINI bead: SC5_SC3";;;;;;;3.34;;0.74;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM417008;MM417008;COC(=NO)C(=O)NC=N;NWJKHSGNPJYNHW-UHFFFAOYSA-N;145.12;-0.86;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_P3";;;;;;;-1.93;;-4.72;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM417009;MM417009;C#Cc1cnn(C)c(=O)n1;GDTYGPWWDQNDIL-UHFFFAOYSA-N;135.13;-0.84;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP2_SP2";;;;;;;-1.34;;-4.31;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM417010;MM417010;CCC=C1C=CC(C#N)=C1;TXWSITPWNDNECH-UHFFFAOYSA-N;131.18;2.34;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC3_SN0";;;;;;;2.87;;0.37;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM417011;MM417011;Nc1ncc[nH]c(=O)c1=O;UYMIAENMEYJWKA-UHFFFAOYSA-N;139.11;-1.29;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP2_SP3";;;;;;;-2.2;;-5.19;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM417012;MM417012;NC=C(C=O)COC=NO;HXNFWIKTHUSYCF-UHFFFAOYSA-N;144.13;-0.54;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_P2";;;;;;;-1.34;;-4.31;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM417013;MM417013;C=CC12CCC(C)C1C2C;SWRQDMJUNLJYOC-UHFFFAOYSA-N;136.24;2.85;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC3_SC4";;;;;;;3.9;;0.47;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM417014;MM417014;C=COC(=C)C(=CC)CC;BPGKCQFXYXJSJI-UHFFFAOYSA-N;138.21;3.02;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1_C5";;;;;;;3.68;;0.46;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM417015;MM417015;C#Cc1cnn(N)c(=O)n1;OLVRMKLPTFPVMV-UHFFFAOYSA-N;136.11;-1.67;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP3_SP2";;;;;;;-2.2;;-5.19;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM417016;MM417016;N#CC1(NCC(=O)O)CC1;UGGLXIBRLCRJOZ-UHFFFAOYSA-N;140.14;-0.28;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_SP2";;;;;;;-1.06;;-9.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM417017;MM417017;O=CC1=CC(=CCO)C=C1;UWWSPBYXBOKXOP-UHFFFAOYSA-N;136.15;0.6;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNda_SNa";;;;;;;0.87;;-1.99;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM417018;MM417018;C=CC(=CC)CON=CC;VVDAAKUOZBITNM-UHFFFAOYSA-N;139.2;2.14;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_C1";;;;;;;2.91;;0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM417019;MM417019;C=COC(=C)C(=CF)CC;MRRDXTCUWODINY-UHFFFAOYSA-N;142.17;2.92;;;;;DOPC;MDCG;27;0;"MARTINI bead: C3_C5";;;;;;;3.34;;0.48;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM417020;MM417020;C=CC12CCC(N)C1C2C;CDLLVALXNWYQFS-UHFFFAOYSA-N;137.23;1.55;;;;;DOPC;MDCG;27;1;"MARTINI bead: SNd_SC4";;;;;;;2.2;;-2.46;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM417021;MM417021;NC(C#CC(=O)O)=NO;BHFNOJBFOUZIPT-UHFFFAOYSA-N;128.09;-1.18;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_P1";;;;;;;-1.06;;-8.67;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM417022;MM417022;O=c1o[nH]nc1CN1CC1;LWHBWWKSUORTQF-UHFFFAOYSA-N;141.13;-0.82;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP2_SP2";;;;;;;-1.34;;-9.6;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM417023;MM417023;N#CC1=CC(=CCO)C=C1;VICZLWIGUDDGEQ-UHFFFAOYSA-N;133.15;0.92;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNda_SN0";;;;;;;1.17;;-1.13;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM417024;MM417024;C=C(OC=O)C(=CF)CN;OJTGELYFJVXQOL-UHFFFAOYSA-N;145.13;0.49;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1_Na";;;;;;;0.04;;-4.58;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM417025;MM417025;C=CC(=CF)CON=CC;JBTKRRAVWWVOOO-UHFFFAOYSA-N;143.16;2.05;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_C4";;;;;;;2.2;;0.34;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM417026;MM417026;CC1C2C(O)CCC12C=O;CXHVWPAMXIAAEO-UHFFFAOYSA-N;140.18;0.59;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNda_SNa";;;;;;;0.87;;-1.99;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM417027;MM417027;C#Cc1nnn(C)c(=N)n1;CFNBJDGRQLIQBN-UHFFFAOYSA-N;135.13;-1.33;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP3_SP2";;;;;;;-2.2;;-5.19;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM417028;MM417028;Oc1nonc1F;OXWSTGLTUARNNU-UHFFFAOYSA-N;104.04;-0.09;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP1_SNa";;;;;;;0.04;;-8.44;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM417029;MM417029;CC=NOCC(C=O)=CC;DHUYOQQTHUKFDS-UHFFFAOYSA-N;141.17;1.15;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_Na";;;;;;;0.87;;-2.22;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM417030;MM417030;COCC=C(C)OC=NN;RARFACWPEHFAHO-UHFFFAOYSA-N;144.17;0.46;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_Nda";;;;;;;0.87;;-1.99;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM417031;MM417031;C=COC(=C)C(=CC)CO;SPIUFQOMANQSRC-UHFFFAOYSA-N;140.18;1.6;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda_C5";;;;;;;1.64;;0.05;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM417032;MM417032;CC1C2C(O)CCC12C#N;AWFLPRAWCZHEJC-UHFFFAOYSA-N;137.18;0.92;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNda_SC5";;;;;;;1.64;;0.05;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM417033;MM417033;O=c1nn[nH]n1O;LUPNLHBSWQYEQR-UHFFFAOYSA-N;102.05;-1.8;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP2_SP3";;;;;;;-2.2;;-9.64;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM417034;MM417034;C#Cc1nnn(N)c(=N)n1;WGWYDWQECWJXDM-UHFFFAOYSA-N;136.12;-2.15;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP3_SP2";;;;;;;-2.2;;-5.19;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM417035;MM417035;CN=Nc1c[nH]c(C#N)c1;KAWJBSAQQKSHDU-UHFFFAOYSA-N;134.14;1.6;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC5_SNd";;;;;;;1.64;;0.02;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM417036;MM417036;CC=NOCC(C#N)=CC;ZJYDCNVJRRDKRQ-UHFFFAOYSA-N;138.17;1.48;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_N0";;;;;;;1.17;;-1.18;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM417037;MM417037;C=C(OC=O)C(=CC)CO;ATOHYTMSQWCHGE-UHFFFAOYSA-N;142.15;0.61;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda_Na";;;;;;;0.87;;-1.99;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM417038;MM417038;C=CC12CCC(C)C1C2N;QICIHIMTAGPGCH-UHFFFAOYSA-N;137.23;1.55;;;;;DOPC;MDCG;27;1;"MARTINI bead: SC3_SNd";;;;;;;2.57;;-1.01;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM417039;MM417039;C#CCN(C=O)C=NNC;JSRPAPUHRGVDON-UHFFFAOYSA-N;139.16;-0.76;;;;;DOPC;MDCG;27;0;"MARTINI bead: P3_N0";;;;;;;-0.8;;-2.99;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM417040;MM417040;C=CC1=CC(=NCC)N=C1;KRGWIVVSICIPEC-UHFFFAOYSA-N;134.18;1.6;;;;;DOPC;MDCG;27;0;"MARTINI bead: SN0_SC5";;;;;;;1.94;;0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM417041;MM417041;N#CCNC(=O)C(=O)O;RPQWBFSXXROKJO-UHFFFAOYSA-N;128.09;-1.29;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_P2";;;;;;;-1.06;;-9.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM417042;MM417042;CC=NOCC(C=O)=CF;JLSJXJOBVZMECZ-UHFFFAOYSA-N;145.13;1.06;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_Na";;;;;;;0.87;;-2.22;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM417043;MM417043;C=C(OC=O)C(=CF)CO;LYEJQYBPIFZFCF-UHFFFAOYSA-N;146.12;0.52;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda_Na";;;;;;;0.87;;-1.99;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM417044;MM417044;C=CC12CCC(N)C1C2N;CPBBHYVNFHGWIJ-UHFFFAOYSA-N;138.21;0.24;;;;;DOPC;MDCG;27;1;"MARTINI bead: SNd_SNd";;;;;;;0.87;;-4.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM417045;MM417045;CCN=C1C=C(C=O)C=N1;OZANDFHJAFWMQX-UHFFFAOYSA-N;136.15;0.61;;;;;DOPC;MDCG;27;0;"MARTINI bead: SN0_SNa";;;;;;;1.17;;-1.18;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM417046;MM417046;C#Cc1nnn(C)c(=O)n1;NDTQJVVYCZTBOK-UHFFFAOYSA-N;136.11;-1.45;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP3_SP2";;;;;;;-2.2;;-5.19;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM417047;MM417047;O=C(O)C#CC(=O)NO;BTXMCLXRYIDNQP-UHFFFAOYSA-N;129.07;-1.42;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_P1";;;;;;;-1.06;;-9.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM417048;MM417048;CC=NOCC(C#N)=CF;VKUWYQGSPCNXKV-UHFFFAOYSA-N;142.13;1.39;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_Na";;;;;;;0.87;;-2.22;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM417049;MM417049;C=COC(=O)C(=CC)CC;AYHDAWKEQLXKRF-UHFFFAOYSA-N;140.18;2.03;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1_Na";;;;;;;2.91;;0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM417050;MM417050;C=CC12CCC(F)C1C2N;WJERDLKLKCTZRX-UHFFFAOYSA-N;141.19;1.25;;;;;DOPC;MDCG;27;1;"MARTINI bead: SC5_SNd";;;;;;;1.64;;-2.1;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM417051;MM417051;CCN=C1C=C(C#N)C=N1;MSPCEIFLTFVVFD-UHFFFAOYSA-N;133.15;0.94;;;;;DOPC;MDCG;27;0;"MARTINI bead: SN0_SP1";;;;;;;0.34;;-1.53;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM417052;MM417052;NN=c1o[nH]nc1F;UUILQJBMOFALSU-UHFFFAOYSA-N;118.07;-1.08;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP2_SP2";;;;;;;-1.34;;-9.6;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM417053;MM417053;C#Cc1nnn(N)c(=O)n1;GGUOMIULBFXBKF-UHFFFAOYSA-N;137.1;-2.27;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP4_SP2";;;;;;;-2.29;;-5.95;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM417054;MM417054;C=CC(COC=CC)=NN;MVSCDCYBXBITRY-UHFFFAOYSA-N;140.19;1.04;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_Nd";;;;;;;1.64;;0.02;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM417055;MM417055;C=COC(=O)C(=CN)CC;NVCNRYCALJHFMN-UHFFFAOYSA-N;141.17;0.93;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_Na";;;;;;;1.64;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM417056;MM417056;CC1NCC2(C=O)C(C)C12;DESVAQUIIGPJMJ-UHFFFAOYSA-N;139.2;0.43;;;;;DOPC;MDCG;27;1;"MARTINI bead: SNd_SP1";;;;;;;0.04;;-5.82;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM417057;MM417057;CN=Nc1cc(C#N)c[nH]1;UKPWVYQDACPXRA-UHFFFAOYSA-N;134.14;1.6;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC5_SN0";;;;;;;1.94;;0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM417058;MM417058;O=c1nnc(=O)oc(O)n1;OYZDNEYEABKGNZ-UHFFFAOYSA-N;143.06;-2.11;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP3_SP3";;;;;;;-3.07;;-10.28;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM417059;MM417059;C#CCC(=CN)C(=O)O;JPEJASLOYREGIK-UHFFFAOYSA-N;125.13;-0.06;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_N0";;;;;;;0.34;;-6.56;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM417060;MM417060;C=CC(COC=CF)=NN;LQSCGMLNOOKXQI-UHFFFAOYSA-N;144.15;0.94;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_Na";;;;;;;1.64;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM417061;MM417061;C=COC(=O)C(=CC)CN;AYOUHBJDINWVEZ-UHFFFAOYSA-N;141.17;0.58;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_Na";;;;;;;0.87;;-3.2;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM417062;MM417062;CC1OCC2(C#N)C(C)C12;OICNIXYDBARZFV-UHFFFAOYSA-N;137.18;1.18;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNa_SN0";;;;;;;1.17;;-1.18;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM417063;MM417063;C=CC1=NC(=NCC)C=C1;ZJJCYALWDGYZSI-UHFFFAOYSA-N;134.18;1.6;;;;;DOPC;MDCG;27;0;"MARTINI bead: SN0_SC5";;;;;;;1.94;;0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM417064;MM417064;C=CC(COC=CF)=NO;QLZOYOJBJVTLNP-UHFFFAOYSA-N;145.13;1.46;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda_Na";;;;;;;0.87;;-1.99;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM417065;MM417065;C=c1ccc(CC)cc1=C;QXCZRXQUHBSXJP-UHFFFAOYSA-N;132.21;1.07;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC3_SC3";;;;;;;4.27;;0.2;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM417066;MM417066;N#CC1=NC(=CO)N=N1;MBZCCBJEUDRNEA-UHFFFAOYSA-N;122.09;0.73;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNda_SN0";;;;;;;1.17;;-7.13;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM417067;MM417067;C=COC(=O)C(=CC)CO;WVJDQEUVKUMHFU-UHFFFAOYSA-N;142.15;0.61;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda_Na";;;;;;;0.87;;-1.99;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM417068;MM417068;C=CC12NCC(C)C1C2C;OOEMTNFHDSETGK-UHFFFAOYSA-N;137.23;1.42;;;;;DOPC;MDCG;27;1;"MARTINI bead: SN0_SNd";;;;;;;1.17;;-4.24;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM417069;MM417069;CCN=C1C=CC(C=O)=N1;LTLPQJJETMGRKW-UHFFFAOYSA-N;136.15;0.61;;;;;DOPC;MDCG;27;0;"MARTINI bead: SN0_SNa";;;;;;;1.17;;-1.18;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM417070;MM417070;C=c1ccc(CN)cc1=C;STNQGWBHSYPHLO-UHFFFAOYSA-N;133.19;-0.03;;;;;DOPC;MDCG;27;1;"MARTINI bead: SNd_SC3";;;;;;;2.57;;-0.92;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM417071;MM417071;N=c1[nH]nc(F)c(=O)n1O;VJEBDXNWDKNHSE-UHFFFAOYSA-N;146.08;-1.57;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP3_SP1";;;;;;;-1.93;;-8.92;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM417072;MM417072;C=COC(=O)C(=CN)CO;XBHIZCFRQNJHTM-UHFFFAOYSA-N;143.14;-0.49;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_Na";;;;;;;-0.24;;-3.24;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM417073;MM417073;N#Cc1n[nH]n(O)c1=O;CMSXGYIBJQFXLH-UHFFFAOYSA-N;126.08;-1.32;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP3_SP1";;;;;;;-1.93;;-9.09;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM417074;MM417074;CC1CNC2(C=O)C(C)C12;CBUTZVWLOHAPBF-UHFFFAOYSA-N;139.2;0.43;;;;;DOPC;MDCG;27;1;"MARTINI bead: SN0_SP1";;;;;;;0.34;;-3.5;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM417075;MM417075;C=NNCC(=NN)C(F)F;NVPIOHRCMDPBNS-UHFFFAOYSA-N;150.13;-0.23;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_N0";;;;;;;0.34;;-1.53;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM417076;MM417076;CCn1nnc(C#N)c1O;VEJNYNVQWCICEM-UHFFFAOYSA-N;138.13;-0.12;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP1_SP1";;;;;;;-0.79;;-7.89;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM417077;MM417077;C=COC(=O)C(=CC)CF;XOCNUBXWSBNEPH-UHFFFAOYSA-N;144.15;1.59;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4_Na";;;;;;;2.2;;0.34;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM417078;MM417078;CCN=C1C=CC(C#N)=N1;RAUZZYJDLZEGGQ-UHFFFAOYSA-N;133.15;0.94;;;;;DOPC;MDCG;27;0;"MARTINI bead: SN0_SP1";;;;;;;0.34;;-1.53;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM417079;MM417079;N#CC(F)C(=NO)C(=O)O;JZKSRKUCKSBDFV-UHFFFAOYSA-N;146.08;-0.24;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda_P1";;;;;;;0.04;;-8.39;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM417080;MM417080;C=CC12NCC(O)C1C2C;XGBJJNLXMOIBSE-UHFFFAOYSA-N;139.2;0.14;;;;;DOPC;MDCG;27;1;"MARTINI bead: SP2_SNd";;;;;;;-0.24;;-5.51;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM417081;MM417081;C=c1ccc(CF)cc1=C;NCFLCJRBWYJTBI-UHFFFAOYSA-N;136.17;0.98;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC4_SC3";;;;;;;3.9;;0.47;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM417082;MM417082;CCC1C=C(C)C(C)(O)C1;QERUYFQUCSJAIY-UHFFFAOYSA-N;140.23;2.11;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC2_SC5";;;;;;;3.6;;0.34;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM417083;MM417083;C=CC(CON=CC)=NN;WPYXTESBAYLBKL-UHFFFAOYSA-N;141.17;0.51;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_C5";;;;;;;0.81;;-0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM417084;MM417084;CN=Nc1ccc(C#N)[nH]1;MDHPVSHOPZVCGU-UHFFFAOYSA-N;134.14;1.6;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC5_SNd";;;;;;;1.64;;0.02;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM417085;MM417085;N#CCC(O)C(=O)C(=O)O;WUWKKOACQIEWHL-UHFFFAOYSA-N;143.1;-1.09;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_P2";;;;;;;-1.34;;-9.6;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM417086;MM417086;C=CC12OCC(N)C1C2C;XOWHWZSFJVOIDF-UHFFFAOYSA-N;139.2;0.53;;;;;DOPC;MDCG;27;1;"MARTINI bead: SP2_SNa";;;;;;;-0.24;;-5.49;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM417087;MM417087;C=CCC(O)CC(=C)CC;DJXJUCZCSOOTEO-UHFFFAOYSA-N;140.23;2.28;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1_Nda";;;;;;;2.91;;0.57;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM417088;MM417088;O=C1C=CC(CO)=CC1=O;HJFMBDLFTVSFFW-UHFFFAOYSA-N;138.12;-0.39;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNda_SNa";;;;;;;0.87;;-1.99;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM417089;MM417089;C=CC(CON=CC)=NO;ABMKFWIFOPCWEW-UHFFFAOYSA-N;142.16;1.02;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_Nda";;;;;;;0.87;;-1.99;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM417090;MM417090;C=CC1=NC(=NCC)C=N1;BZWWJGSJQNJJRA-UHFFFAOYSA-N;135.17;1.07;;;;;DOPC;MDCG;27;0;"MARTINI bead: SN0_SN0";;;;;;;1.47;;-0.05;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM417091;MM417091;Cn1[nH]c(F)c(F)c1=O;QJLMUNHBLSCYPT-UHFFFAOYSA-N;134.09;-0.01;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNda_SP2";;;;;;;-0.24;;-8.47;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM417092;MM417092;C=CC(=NC)NCC=CC;ANNXHVUSQNRPCQ-UHFFFAOYSA-N;138.21;1.37;;;;;DOPC;MDCG;27;1;"MARTINI bead: C2_Nd";;;;;;;2.83;;-1.72;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM417093;MM417093;C=CC12OCC(O)C1C2C;ZLYJGUAIUVDPDH-UHFFFAOYSA-N;140.18;0.57;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP1_SNa";;;;;;;0.04;;-2.54;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM417094;MM417094;O=C1C=CC(CF)=CC1=O;TXJMZOKAZQJZLS-UHFFFAOYSA-N;140.11;0.59;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC4_SNa";;;;;;;2.2;;0.34;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM417095;MM417095;C=COC(=C)C(CC)=NN;YXTPKPOTDWLCQK-UHFFFAOYSA-N;140.19;1.38;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nd_C5";;;;;;;1.64;;0.02;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM417096;MM417096;CCN=C1C=NC(C=O)=N1;SSNNXMMUDMKHSQ-UHFFFAOYSA-N;137.14;0.09;;;;;DOPC;MDCG;27;0;"MARTINI bead: SN0_SP1";;;;;;;0.34;;-1.53;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM417097;MM417097;CC(NCC#N)C(=O)O;IGNLVMOWYFZZDM-UHFFFAOYSA-N;128.13;-0.43;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_P1";;;;;;;-1.06;;-9.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM417098;MM417098;C=CC(=NC)NCC=CF;FXNYJCJXYVGDQZ-UHFFFAOYSA-N;142.18;1.27;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_C4";;;;;;;2.2;;-3.16;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM417099;MM417099;C=CC12CCN(C)C1C2C;GSJMEBOTTMNHBE-UHFFFAOYSA-N;137.23;1.51;;;;;DOPC;MDCG;27;1;"MARTINI bead: SNd_SC4";;;;;;;2.2;;-1.65;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM417100;MM417100;C=C(C)C(=O)C1NC1(C)C;NDRLSVJLPWKSLC-UHFFFAOYSA-N;139.2;0.88;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_SNd";;;;;;;0.87;;-1.88;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM417101;MM417101;CNC1=CC(=O)C(=O)C=C1;ASLDPWOIMVRSRO-UHFFFAOYSA-N;137.14;-0.2;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC5_SNa";;;;;;;1.64;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM417102;MM417102;CCN=C1C=NC(C#N)=N1;JYHQVVNZUXCJAJ-UHFFFAOYSA-N;134.14;0.41;;;;;DOPC;MDCG;27;0;"MARTINI bead: SN0_SP1";;;;;;;0.34;;-1.53;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM417103;MM417103;N#CCn1ccncc1=O;LXWHGZFJKZJGOU-UHFFFAOYSA-N;135.13;-0.23;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP1_SP1";;;;;;;-0.79;;-3.13;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM417104;MM417104;C=CC(=NCC=CC)NN;DFEYZEYAQDLJEK-UHFFFAOYSA-N;139.2;0.61;;;;;DOPC;MDCG;27;1;"MARTINI bead: C2_P1";;;;;;;2;;-0.78;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM417105;MM417105;C#CCOC=NNC(C)C;YMDMZYLRPFSQEE-UHFFFAOYSA-N;140.19;0.58;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_N0";;;;;;;0.34;;-1.53;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM417106;MM417106;CC1C2N(C)CCC12C=O;JLWZMLJLJWRLJU-UHFFFAOYSA-N;139.2;0.53;;;;;DOPC;MDCG;27;1;"MARTINI bead: SNd_SNa";;;;;;;0.87;;-3.35;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM417107;MM417107;C=c1ccc(OC)cc1=C;VZWGVNDGKLOZSQ-UHFFFAOYSA-N;134.18;0.52;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC5_SC3";;;;;;;3.34;;0.48;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM417108;MM417108;C=CC1=NC(=NCC)N=C1;MFGUUYJFBHWQMO-UHFFFAOYSA-N;135.17;1.07;;;;;DOPC;MDCG;27;0;"MARTINI bead: SN0_SN0";;;;;;;1.47;;-0.05;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM417109;MM417109;N#CCn1ncccc1=N;ZAGYHRLGZSIDNB-UHFFFAOYSA-N;134.14;-0.11;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP1_SP2";;;;;;;-1.06;;-3.82;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM417110;MM417110;C=CC(=NN)NCC=CF;IXGKBBWILZCMLL-UHFFFAOYSA-N;143.17;0.52;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1_C4";;;;;;;1.37;;-1.45;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM417111;MM417111;C#CC(COC)ON=CC;KKNXVVBFPDGHTJ-UHFFFAOYSA-N;141.17;0.66;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_C5";;;;;;;0.81;;-0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM417112;MM417112;C=COC(=O)C(CO)=NN;NHLQAPNIONTQSM-UHFFFAOYSA-N;144.13;-1.02;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_Na";;;;;;;-0.24;;-3.24;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM417113;MM417113;COC1=CC(=O)C(=O)C=C1;KFQRJXIFGJGHTO-UHFFFAOYSA-N;138.12;0.22;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC5_SNa";;;;;;;1.64;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM417114;MM417114;CCN=C1N=CC(C#N)=N1;NUIBHKRJTGMUFB-UHFFFAOYSA-N;134.14;0.41;;;;;DOPC;MDCG;27;0;"MARTINI bead: SN0_SP1";;;;;;;0.34;;-1.53;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM417115;MM417115;N#CCn1ncncc1=N;WQTKFUFVWSVYOA-UHFFFAOYSA-N;135.13;-0.72;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP2_SP2";;;;;;;-1.34;;-4.31;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM417116;MM417116;CC#CC(=NNC)OC=O;CCPFRDYPFNKKBK-UHFFFAOYSA-N;140.14;-0.28;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_N0";;;;;;;0.34;;-1.53;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM417117;MM417117;C=CC12CNC(C)C1N2C;MNYNEXCMASPYQG-UHFFFAOYSA-N;138.21;0.22;;;;;DOPC;MDCG;27;1;"MARTINI bead: SNd_SP2";;;;;;;-0.24;;-5.74;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM417118;MM417118;C#CC#CCC(C)ON=C;AVXJEJUBNUJPSG-UHFFFAOYSA-N;135.17;1.03;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_C4";;;;;;;2.2;;0.34;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM417119;MM417119;Cn1c(=NN)on(N)c1=O;IKSUOCXPLGQUGV-UHFFFAOYSA-N;145.12;-2.73;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP3_SP2";;;;;;;-2.2;;-5.19;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM417120;MM417120;C=CC=C1C=CC(C=C)=C1;KRPMWRCESVHUFE-UHFFFAOYSA-N;130.19;2.78;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC3_SC4";;;;;;;3.9;;0.47;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM417121;MM417121;C#CCn1ccncc1=O;PCNBYRIYTBOIEP-UHFFFAOYSA-N;134.14;-0.12;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP1_SP2";;;;;;;-1.06;;-3.82;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM417122;MM417122;C=CC(=NC)NCC=NN;RTYQPLHYFREKQM-UHFFFAOYSA-N;140.19;-0.27;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_Nd";;;;;;;0.87;;-5.49;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM417123;MM417123;CC=CCN(C=O)C=NN;FAIAUDNEEDHQAC-UHFFFAOYSA-N;141.17;-0.08;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda_P1";;;;;;;0.04;;-2.73;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM417124;MM417124;NC(N)=CC(=O)O;WHGZPSATAVMLQM-UHFFFAOYSA-N;102.09;-1.17;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_P1";;;;;;;-1.06;;-8.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM417125;MM417125;O=C1C=NC(CF)=CC1=O;OSIOZMAEEZKSTN-UHFFFAOYSA-N;141.1;0.06;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNa_SP1";;;;;;;0.04;;-2.54;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM417126;MM417126;C=CC1=CC(=CC=O)C=C1;LYIWXQOIXTYIHH-UHFFFAOYSA-N;132.16;1.79;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC4_SNa";;;;;;;2.2;;0.34;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM417127;MM417127;C#CCn1nnncc1=N;RUFJBKYPYRJWKH-UHFFFAOYSA-N;135.13;-1.21;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP2_SP2";;;;;;;-1.34;;-4.31;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM417128;MM417128;C=CC(=NC)NNC=NN;VOYKIPJZJYBNTD-UHFFFAOYSA-N;141.18;-0.8;;;;;DOPC;MDCG;27;1;"MARTINI bead: N0_P4";;;;;;;-0.88;;-5.76;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM417129;MM417129;C#CC12CCC(F)C1C2C;NQMQJVMXXGHTPZ-UHFFFAOYSA-N;138.19;2;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC5_SC4";;;;;;;2.97;;0.45;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM417130;MM417130;C=COC(=C)C(=CF)OC;HVSOWDKENGQGEG-UHFFFAOYSA-N;144.15;2.12;;;;;DOPC;MDCG;27;0;"MARTINI bead: N0_C5";;;;;;;1.94;;0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM417131;MM417131;C=CC1=CC(=CC#N)C=C1;BSRZBWGXIZXXMC-UHFFFAOYSA-N;129.16;2.12;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC4_SC5";;;;;;;2.97;;0.45;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM417132;MM417132;C=NN(C=O)C(=NN)OC;GNDGLTIOTNLTRB-UHFFFAOYSA-N;144.13;-1.06;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_P2";;;;;;;-1.06;;-3.82;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM417133;MM417133;CC=Cn1ccncc1=N;FGYNBTDXIHFLNA-UHFFFAOYSA-N;135.17;0.85;;;;;DOPC;MDCG;27;1;"MARTINI bead: SP1_SP1";;;;;;;-0.79;;-4.84;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM417134;MM417134;C=CC(=NN)NNC=NC;VFZMNHXWXHTKJW-UHFFFAOYSA-N;141.18;-0.8;;;;;DOPC;MDCG;27;1;"MARTINI bead: P2_P1";;;;;;;-1.06;;-5.33;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM417135;MM417135;C=C(OC=O)C(=CF)OC;OTLYXDWPEMFRBN-UHFFFAOYSA-N;146.12;1.13;;;;;DOPC;MDCG;27;0;"MARTINI bead: N0_Na";;;;;;;1.17;;-1.18;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM417136;MM417136;C#CC12CCN(C)C1C2C;GTDXSMXLYHOPKZ-UHFFFAOYSA-N;135.21;0.96;;;;;DOPC;MDCG;27;1;"MARTINI bead: SNd_SC4";;;;;;;2.2;;-1.51;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM417137;MM417137;C=CC=C1C=CC(C=O)=C1;UICKMTNOBLACPK-UHFFFAOYSA-N;132.16;1.79;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC3_SNa";;;;;;;2.57;;0.45;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM417138;MM417138;COC1=CC(=O)C(=O)C=N1;KZYGWNNYRHDSTP-UHFFFAOYSA-N;139.11;-0.3;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNa_SP1";;;;;;;0.04;;-2.54;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM417139;MM417139;CC=Cn1ccncc1=O;WXXYLWCLFRUPBU-UHFFFAOYSA-N;136.15;0.73;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNa_SP1";;;;;;;0.04;;-2.54;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM417140;MM417140;CNN=c1oc(C)c(C)o1;FMIMOHXYQWDVAP-UHFFFAOYSA-N;142.16;0.52;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_SP1";;;;;;;-1.06;;-3.82;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM417141;MM417141;C=COC(=O)C(=CC)OC;FAOHZRLQYLBTFK-UHFFFAOYSA-N;142.15;1.22;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_Na";;;;;;;1.64;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM417142;MM417142;C=C1CCC2(CC)C(C)C12;JQICFYBUOIVTJS-UHFFFAOYSA-N;136.24;3;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC3_SC4";;;;;;;3.9;;0.47;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM417143;MM417143;C=CC=C1C=CC(C#N)=C1;ADNRGJLOSYYHQJ-UHFFFAOYSA-N;129.16;2.12;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC3_SN0";;;;;;;2.87;;0.37;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM417144;MM417144;CCC1=NC(=O)C(=O)C=C1;SHBKJFJECXFOGB-UHFFFAOYSA-N;137.14;0.5;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC4_SNa";;;;;;;2.2;;0.34;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM417145;MM417145;O=c1cnccn1C=CF;SCRIGSRCJHLZSC-UHFFFAOYSA-N;140.12;0.64;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP2_SP1";;;;;;;-1.06;;-3.82;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM417146;MM417146;N=c1c(=O)oc(N)nn1N;KBADBSYPFNHFRL-UHFFFAOYSA-N;143.11;-2.39;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP3_SP3";;;;;;;-3.07;;-6.15;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM417147;MM417147;O=CC=C1C=CC(C=O)=C1;LNXXKWMEJBKNMQ-UHFFFAOYSA-N;134.13;0.81;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNa_SNa";;;;;;;0.87;;-2.22;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM417148;MM417148;C=C1CCC2(CN)C(C)C12;BEZHYGCFJWSHPJ-UHFFFAOYSA-N;137.23;1.55;;;;;DOPC;MDCG;27;1;"MARTINI bead: SC4_SNd";;;;;;;2.2;;-1.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM417149;MM417149;O=C1C=CC(CO)=NC1=O;PVPYZCPMRZMIRZ-UHFFFAOYSA-N;139.11;-0.91;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNda_SNa";;;;;;;0.87;;-1.99;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM417150;MM417150;C=COC(=O)C(=CN)OC;LFIGHEAVBGLJHV-UHFFFAOYSA-N;143.14;0.12;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_N0";;;;;;;0.34;;-1.53;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM417151;MM417151;CN=Cn1ccncc1=O;MXUYFFOSSDTBPL-UHFFFAOYSA-N;137.14;-0.25;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP2_SP1";;;;;;;-1.06;;-3.82;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM417152;MM417152;CN=CNNC(C=O)=NC;SPSRLYGNRBZDPI-UHFFFAOYSA-N;142.16;-1.03;;;;;DOPC;MDCG;27;1;"MARTINI bead: P2_P2";;;;;;;-1.34;;-5.77;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM417153;MM417153;N#CC=C1C=CC(C=O)=C1;BPKXJTUEURLWOL-UHFFFAOYSA-N;131.13;1.13;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNa_SC5";;;;;;;1.64;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM417154;MM417154;NN=CN(C=O)CC=CF;LWZDTBDLQIPCOE-UHFFFAOYSA-N;145.14;-0.17;;;;;DOPC;MDCG;27;0;"MARTINI bead: P5_C5";;;;;;;-0.34;;-3.42;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM417155;MM417155;C=COC(=O)C(=CF)OC;PKXCZJAZTWLCQV-UHFFFAOYSA-N;146.12;1.13;;;;;DOPC;MDCG;27;0;"MARTINI bead: N0_Na";;;;;;;1.17;;-1.18;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM417156;MM417156;N=C1N=C(CF)N=CC1=O;BBYBTDBCODFXIC-UHFFFAOYSA-N;141.11;-0.01;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNa_SP1";;;;;;;0.04;;-2.54;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM417157;MM417157;CC=Nn1ccncc1=N;FECKTHMWEHXGQI-UHFFFAOYSA-N;136.16;0.22;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP2_SP1";;;;;;;-1.06;;-3.82;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM417158;MM417158;Cn1nc(N)c(F)nc1=N;YLERRYUNIBEGSK-UHFFFAOYSA-N;143.13;-0.98;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP3_SP1";;;;;;;-1.93;;-4.72;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM417159;MM417159;N#CC1=CC(=CC=O)C=C1;YJUJXNDHEYVXHF-UHFFFAOYSA-N;131.13;1.13;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNa_SN0";;;;;;;1.17;;-1.18;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM417160;MM417160;CCC12CCC(=O)C1C2C;ZZIGEMJMDXWVLH-UHFFFAOYSA-N;138.21;2.01;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC3_SNa";;;;;;;2.57;;0.45;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM417161;MM417161;CCC1=NC(=O)C(=O)C=N1;MSBUXPQVSNMIOL-UHFFFAOYSA-N;138.13;-0.03;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC5_SP1";;;;;;;0.81;;-0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM417162;MM417162;C=NOC(=O)C(=CC)OC;XAYMDCJVSQQRLM-UHFFFAOYSA-N;143.14;0.7;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_P1";;;;;;;0.81;;-0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM417163;MM417163;CC=Nn1ccncc1=O;WKHCKEQIDXKMTC-UHFFFAOYSA-N;137.14;0.1;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP1_SP1";;;;;;;-0.79;;-3.13;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM417164;MM417164;C=CC1(C)CN1C(C)C=O;IIPVVYWHMSNRHX-UHFFFAOYSA-N;139.2;0.83;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_SP1";;;;;;;-1.06;;-3.82;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM417165;MM417165;N#CC=C1C=CC(C#N)=C1;HXGKKHQIDWRTID-UHFFFAOYSA-N;128.13;1.46;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC5_SN0";;;;;;;1.94;;0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM417166;MM417166;CC=NNCC(C#N)=CC;QTJHHBXYEACLTQ-UHFFFAOYSA-N;137.19;1.05;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nd_C5";;;;;;;1.64;;0.02;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM417167;MM417167;CC1C2C(=O)CCC12CO;NLKXMRNVNDDQFI-UHFFFAOYSA-N;140.18;0.59;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNa_SNda";;;;;;;0.87;;-1.99;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM417168;MM417168;CCC=C(F)CNCC=O;SYCLZNPGMBJYLY-UHFFFAOYSA-N;145.18;1.04;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1_P5";;;;;;;0.93;;-1.3;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM417169;MM417169;CC=Cn1cnncc1=N;FVEBMFHQIHTFAW-UHFFFAOYSA-N;136.16;0.25;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP2_SP2";;;;;;;-1.34;;-4.31;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM417170;MM417170;C=CC(=CC)OCC=CC;ARKITUVHUMJMRI-UHFFFAOYSA-N;138.21;2.67;;;;;DOPC;MDCG;27;0;"MARTINI bead: C2_C5";;;;;;;3.6;;0.34;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM417171;MM417171;C=CC1=CC(=NN=C)C=C1;WHRPRCNMZPYZQW-UHFFFAOYSA-N;132.17;1.73;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC4_SC5";;;;;;;2.97;;0.45;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM417172;MM417172;CCC1=NNC(CC#N)C1;NILMWSGFVRLPBM-UHFFFAOYSA-N;137.19;1.03;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP1_SNd";;;;;;;0.04;;-2.63;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM417173;MM417173;C=C1CCC2(CF)C(N)C12;KJXMLVPBONLQDM-UHFFFAOYSA-N;141.19;1.25;;;;;DOPC;MDCG;27;1;"MARTINI bead: SC4_SNda";;;;;;;2.2;;-1.46;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM417174;MM417174;C=CC=C(F)CNCC=O;MQOJZNNJMUHAKZ-UHFFFAOYSA-N;143.16;0.81;;;;;DOPC;MDCG;27;0;"MARTINI bead: C3_P5";;;;;;;0.59;;-2.14;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM417175;MM417175;N=c1cnncn1C=CF;FHAXYJMVTQBFSF-UHFFFAOYSA-N;140.12;0.16;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP3_SP2";;;;;;;-2.2;;-5.19;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM417176;MM417176;C=CC(=CC)OCC=CF;DRUKSVSSZNNMIJ-UHFFFAOYSA-N;142.17;2.58;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_C4";;;;;;;2.97;;0.45;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM417177;MM417177;C=NN=C1C=CC(C=O)=C1;DJVGALDZVHGPDX-UHFFFAOYSA-N;134.14;0.74;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC5_SNa";;;;;;;1.64;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM417178;MM417178;C=CNC1=NCC(=NN)O1;MNOLZDOEELMOHU-UHFFFAOYSA-N;140.15;-0.62;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP1_SNd";;;;;;;0.04;;-2.63;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM417179;MM417179;CONC(=O)C(C)(F)C=O;XEKZWVYGYICBPA-UHFFFAOYSA-N;149.12;-0.41;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_Na";;;;;;;-0.24;;-7.98;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM417180;MM417180;CNC12CCC(=O)C1C2C;MBODWBZHNHAHAE-UHFFFAOYSA-N;139.2;0.57;;;;;DOPC;MDCG;27;1;"MARTINI bead: SNd_SNa";;;;;;;0.87;;-4.18;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM417181;MM417181;CC=Cn1cnncc1=O;ZXMMHGVLIOTXBW-UHFFFAOYSA-N;137.14;0.13;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP2_SP2";;;;;;;-1.34;;-4.31;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM417182;MM417182;C=CC(=CF)OCC=CC;YPXKYNQJAKOYBG-UHFFFAOYSA-N;142.17;2.58;;;;;DOPC;MDCG;27;0;"MARTINI bead: C2_Na";;;;;;;2.83;;0.35;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM417183;MM417183;C=NN=C1C=CC(C#N)=C1;CXWGWCVYZMEUAT-UHFFFAOYSA-N;131.14;1.06;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC5_SN0";;;;;;;1.94;;0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM417184;MM417184;O=CC=C(F)CNCC=O;LGJDYRJWRCWGGM-UHFFFAOYSA-N;145.13;-0.17;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_Na";;;;;;;0.04;;-2.54;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM417185;MM417185;C=Cc1ccc(=C)c(=C)c1;HUCPQZCEIIKCHW-UHFFFAOYSA-N;130.19;1.15;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC4_SC3";;;;;;;3.9;;0.47;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM417186;MM417186;O=c1cnncn1C=CF;NEPGICAUWUZIFZ-UHFFFAOYSA-N;141.11;0.04;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP2_SP2";;;;;;;-1.34;;-4.31;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM417187;MM417187;C=C1CCC2(OC)C(C)C12;JLKJBNYKVGSNCR-UHFFFAOYSA-N;138.21;1.99;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC5_SC4";;;;;;;2.97;;0.45;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM417188;MM417188;C=CC(=CF)OCC=CF;FXBKHFXEIPGQPS-UHFFFAOYSA-N;146.14;2.48;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4_Na";;;;;;;2.2;;0.34;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM417189;MM417189;C=CC1=CC(=NN=C)C=N1;IUSMVZJYNZOQRN-UHFFFAOYSA-N;133.15;1.2;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC5_SN0";;;;;;;1.94;;0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM417190;MM417190;C=NN=C(C)CNCC=O;VHSAVTOBQPQSCV-UHFFFAOYSA-N;141.17;-0.15;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda_P1";;;;;;;0.04;;-2.73;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM417191;MM417191;CN=Cn1cnncc1=N;XAYNWHOKVINOCJ-UHFFFAOYSA-N;137.15;-0.74;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP3_SP2";;;;;;;-2.2;;-5.19;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM417192;MM417192;C=c1ccc(C=O)cc1=C;QUYISNDVTNVIBE-UHFFFAOYSA-N;132.16;0.32;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC3_SC5";;;;;;;3.34;;0.48;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM417193;MM417193;COC12CCC(=O)C1C2C;ZQTATNUHCONKFA-UHFFFAOYSA-N;140.18;1;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC5_SNa";;;;;;;1.64;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM417194;MM417194;CC=CCOC(C=O)=CC;LVCGYFDLNFXFQG-UHFFFAOYSA-N;140.18;1.68;;;;;DOPC;MDCG;27;0;"MARTINI bead: C2_P1";;;;;;;2;;0.29;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM417195;MM417195;C=CC(=CC)C(=C)CCC;RACIMBZOPGMLIC-UHFFFAOYSA-N;136.24;3.48;;;;;DOPC;MDCG;27;0;"MARTINI bead: C3_C1";;;;;;;4.61;;0.31;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM417196;MM417196;C=c1ccc(C#N)cc1=C;UUVLYVZIIYDEAM-UHFFFAOYSA-N;129.16;0.38;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC3_SC5";;;;;;;3.34;;0.48;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM417197;MM417197;C=NN=C1C=NC(C=O)=C1;GBLFPNTWYSIALH-UHFFFAOYSA-N;135.13;0.21;;;;;DOPC;MDCG;27;0;"MARTINI bead: SN0_SNa";;;;;;;1.17;;-1.18;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM417198;MM417198;CCC(=NN=C(C)C)NC;QCNDYPMYVUPXBA-UHFFFAOYSA-N;141.22;1.41;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nd_N0";;;;;;;1.17;;-1.04;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM417199;MM417199;CCC12CNC(=N)C1C2C;ITIIYLDXHVOXSZ-UHFFFAOYSA-N;138.21;1.23;;;;;DOPC;MDCG;27;1;"MARTINI bead: SN0_SNd";;;;;;;1.17;;-5.75;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM417200;MM417200;CC=CCOC(C#N)=CC;ZRNBNHPXHGPVEQ-UHFFFAOYSA-N;137.18;2.01;;;;;DOPC;MDCG;27;0;"MARTINI bead: C2_Na";;;;;;;2.83;;0.35;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM417201;MM417201;C=NN=C1C=NC(C#N)=C1;JMOGYHMNQZUZQA-UHFFFAOYSA-N;132.13;0.53;;;;;DOPC;MDCG;27;0;"MARTINI bead: SN0_SP1";;;;;;;0.34;;-1.53;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM417202;MM417202;C=CC(=CC)C(=C)CCF;PBENOKYXJSJKQH-UHFFFAOYSA-N;140.2;3.03;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1_C5";;;;;;;3.68;;0.46;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM417203;MM417203;C=CC1=CC(=O)C(=O)C=C1;JZAWUWGAASWDST-UHFFFAOYSA-N;134.13;0.81;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC3_SNa";;;;;;;2.57;;0.45;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM417204;MM417204;CC1C2C(=N)NCC12CN;NOCJNANAERJTPD-UHFFFAOYSA-N;139.2;-0.22;;;;;DOPC;MDCG;27;1;"MARTINI bead: SNd_SNd";;;;;;;0.87;;-6.77;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM417205;MM417205;N=c1cnncn1C=NO;CLYFEVPIWKXPEC-UHFFFAOYSA-N;139.12;-0.98;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP3_SP2";;;;;;;-2.2;;-5.19;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM417206;MM417206;CC=C(C=O)OCC=CF;ZUSXDXGKXQIVFH-UHFFFAOYSA-N;144.15;1.59;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_C4";;;;;;;1.37;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM417207;MM417207;C=CC1=CC(=CC=O)N=C1;SHAGTIHADLGTIU-UHFFFAOYSA-N;133.15;1.27;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC5_SNa";;;;;;;1.64;;-0.05;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM417208;MM417208;C=C(CCF)C(C=O)=CN;HNVSJCZRDOASIV-UHFFFAOYSA-N;143.16;0.94;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_C5";;;;;;;0.54;;-1.09;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM417209;MM417209;O=CC1=CC(=O)C(=O)C=C1;DELHPZFPVWUYJD-UHFFFAOYSA-N;136.11;-0.18;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNa_SNa";;;;;;;0.87;;-2.22;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM417210;MM417210;CN=Cn1cnncc1=O;YRAIJBYIEDELOA-UHFFFAOYSA-N;138.13;-0.86;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP3_SP2";;;;;;;-2.2;;-5.19;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM417211;MM417211;CC1C2C(=N)NCC12CO;JYOBEUKSLNHASE-UHFFFAOYSA-N;140.19;-0.19;;;;;DOPC;MDCG;27;1;"MARTINI bead: SNd_SNda";;;;;;;0.87;;-6.51;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM417212;MM417212;CC=C(C#N)OCC=CF;PTEFATFWHVTJDK-UHFFFAOYSA-N;141.15;1.91;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_C4";;;;;;;2.2;;0.34;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM417213;MM417213;C=CC1=CC(=CC#N)N=C1;GRBSUYAMDYSKBV-UHFFFAOYSA-N;130.15;1.59;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC5_SN0";;;;;;;1.94;;0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM417214;MM417214;C=CC(=CC)C(=O)CCC;GDRNWSRXVKKFJY-UHFFFAOYSA-N;138.21;2.49;;;;;DOPC;MDCG;27;0;"MARTINI bead: C3_C5";;;;;;;3.34;;0.48;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM417215;MM417215;N#CC1=CC(=O)C(=O)C=C1;YXBJVYOQFQQNAV-UHFFFAOYSA-N;133.11;0.14;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNa_SC5";;;;;;;1.64;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM417216;MM417216;CC1C2C(=N)NCC12CF;MEVJVGLIBVGHPB-UHFFFAOYSA-N;142.18;0.79;;;;;DOPC;MDCG;27;1;"MARTINI bead: SNd_SC5";;;;;;;1.64;;-4.51;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM417217;MM417217;CC=Nn1cnncc1=O;GLYBVTVMHWWKFJ-UHFFFAOYSA-N;138.13;-0.51;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP2_SP2";;;;;;;-1.34;;-4.31;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM417218;MM417218;CC=CCOC(C=O)=CN;FSXQBLZVWVGEJS-UHFFFAOYSA-N;141.17;0.58;;;;;DOPC;MDCG;27;0;"MARTINI bead: C2_P3";;;;;;;0.86;;-0.3;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM417219;MM417219;O=CC=C1C=C(C=O)C=N1;YNGNZCBBLKKUPT-UHFFFAOYSA-N;135.12;0.28;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNa_SNa";;;;;;;0.87;;-2.22;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM417220;MM417220;C=CC(=CC)C(=O)CCO;SBBWORKDYGKXGQ-UHFFFAOYSA-N;140.18;1.07;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_P1";;;;;;;0.81;;-0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM417221;MM417221;C=CC1=CC(=O)C(=O)C=N1;BTGIEAGRAJXTFQ-UHFFFAOYSA-N;135.12;0.28;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC4_SP1";;;;;;;1.37;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM417222;MM417222;CC=Cn1ncccc1=O;VGLCNMLGYVJOAT-UHFFFAOYSA-N;136.15;0.73;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNa_SP1";;;;;;;0.04;;-2.54;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM417223;MM417223;CCC12CNC(=O)C1C2C;IDOVRGPLVWYKGP-UHFFFAOYSA-N;139.2;0.78;;;;;DOPC;MDCG;27;0;"MARTINI bead: SN0_SP2";;;;;;;0.06;;-2.21;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM417224;MM417224;CC=CCOC(C#N)=CN;KWFASPHUTDNDER-UHFFFAOYSA-N;138.17;0.9;;;;;DOPC;MDCG;27;0;"MARTINI bead: C2_P2";;;;;;;1.72;;0.27;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM417225;MM417225;N#CC=C1C=C(C=O)C=N1;RAUMIQZUUKCSNK-UHFFFAOYSA-N;132.12;0.6;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNa_SN0";;;;;;;1.17;;-1.18;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM417226;MM417226;C=CC(=CC)C(=O)CCF;PRRMUWJKDKHASU-UHFFFAOYSA-N;142.17;2.05;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_C5";;;;;;;2.41;;0.64;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM417227;MM417227;NC=C(C=O)OCC=CF;RVFAXXWCSFECJU-UHFFFAOYSA-N;145.13;0.49;;;;;DOPC;MDCG;27;0;"MARTINI bead: P3_C4";;;;;;;0.23;;-1.03;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM417228;MM417228;CN=Cn1ncccc1=N;UQXSPJRLPKENPQ-UHFFFAOYSA-N;136.16;-0.13;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP2_SP1";;;;;;;-1.06;;-3.82;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM417229;MM417229;CC1C2C(=O)NCC12CN;ZUSJACGLAUXSDI-UHFFFAOYSA-N;140.19;-0.67;;;;;DOPC;MDCG;27;1;"MARTINI bead: SP2_SNd";;;;;;;-0.24;;-5.18;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM417230;MM417230;O=CC1=CC(=O)C(=O)C=N1;VNEVYSHGNODYOS-UHFFFAOYSA-N;137.09;-0.71;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNa_SP1";;;;;;;0.04;;-2.54;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM417231;MM417231;N#CC1=CC(=CC=O)N=C1;LLTVXAKCCFQKPX-UHFFFAOYSA-N;132.12;0.6;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNa_SP1";;;;;;;0.04;;-2.54;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM417232;MM417232;CC=C(C#N)C(=O)CCO;GBNMDTJMKMFITJ-UHFFFAOYSA-N;139.15;0.41;;;;;DOPC;MDCG;27;0;"MARTINI bead: N0_P2";;;;;;;0.06;;-2.21;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM417233;MM417233;CC1C2C(=O)NCC12CO;JKMOUDJVVYHVTB-UHFFFAOYSA-N;141.17;-0.64;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP2_SNda";;;;;;;-0.24;;-3.31;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM417234;MM417234;N=c1cccnn1C=NO;YMNBVYFPEPVYNY-UHFFFAOYSA-N;138.13;-0.37;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP2_SP1";;;;;;;-1.06;;-3.82;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM417235;MM417235;N#CC1=CC(=O)C(=O)C=N1;QCLBUKOOJVYBFG-UHFFFAOYSA-N;134.09;-0.38;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP1_SN0";;;;;;;0.34;;-1.53;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM417236;MM417236;CC=CCOC(C=O)=CF;QSCHCVDTAHINKG-UHFFFAOYSA-N;144.15;1.59;;;;;DOPC;MDCG;27;0;"MARTINI bead: C2_P1";;;;;;;2;;0.29;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM417237;MM417237;N#CC=C1C=C(C#N)C=N1;PFLJIKIQBYOGKI-UHFFFAOYSA-N;129.12;0.93;;;;;DOPC;MDCG;27;0;"MARTINI bead: SN0_SP1";;;;;;;0.34;;-1.53;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM417238;MM417238;CNC12CNC(=N)C1C2C;VSCJHHMNDQGVNW-UHFFFAOYSA-N;139.2;-0.21;;;;;DOPC;MDCG;27;1;"MARTINI bead: SP1_SNd";;;;;;;0.04;;-6.72;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM417239;MM417239;N#CC(=CN)C(=O)CCO;YVFMOQUSYWCMDV-UHFFFAOYSA-N;140.14;-0.7;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_P1";;;;;;;-1.06;;-3.82;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM417240;MM417240;CC=Nn1ncccc1=N;DTYPMNSBENONMF-UHFFFAOYSA-N;136.16;0.22;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP1_SP1";;;;;;;-0.79;;-3.13;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM417241;MM417241;C=CC1=NC(=O)C(=O)C=C1;BWKWPQMSJUMERV-UHFFFAOYSA-N;135.12;0.28;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC4_SNa";;;;;;;2.2;;0.34;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM417242;MM417242;N#CC(=CF)OCC=CF;MUZFTGZVKQVPQB-UHFFFAOYSA-N;145.11;1.82;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4_Na";;;;;;;2.2;;0.34;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM417243;MM417243;C=CC1=CC(=NC=N)N=C1;MXIPAUGCVUQEQM-UHFFFAOYSA-N;133.15;1.19;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC5_SNd";;;;;;;1.64;;0.03;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM417244;MM417244;C=CC(=CC)C(=C)CNC;RTSFIEYRCBTHIH-UHFFFAOYSA-N;137.23;1.89;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1_C1";;;;;;;2.08;;-0.77;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM417245;MM417245;CNC12CNC(=O)C1C2C;HGFULUUFNINGLI-UHFFFAOYSA-N;140.19;-0.66;;;;;DOPC;MDCG;27;1;"MARTINI bead: SP1_SP2";;;;;;;-1.06;;-5.37;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM417246;MM417246;C=CC(=CC)OCC=NN;OVXRBBJAPKDITF-UHFFFAOYSA-N;140.19;1.04;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_Nd";;;;;;;1.64;;0.02;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM417247;MM417247;CC=Nn1ncccc1=O;XCMMWWMFGBXMMJ-UHFFFAOYSA-N;137.14;0.1;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP1_SP1";;;;;;;-0.79;;-3.13;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM417248;MM417248;C=CC1=NC(=O)C(=O)C=N1;MSWXHGWUECVXLI-UHFFFAOYSA-N;136.11;-0.25;;;;;DOPC;MDCG;27;0;"MARTINI bead: SN0_SP1";;;;;;;0.34;;-1.53;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM417249;MM417249;N=CN=C1C=C(C=O)C=N1;BYUGGESBXVXGTQ-UHFFFAOYSA-N;135.13;0.2;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNd_SNa";;;;;;;0.87;;-1.88;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM417250;MM417250;C=C(CNC)C(C#N)=CC;XXBLAMVRBVYIEN-UHFFFAOYSA-N;136.2;1.23;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1_C4";;;;;;;1.37;;-1.32;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM417251;MM417251;C=CC(=CF)OCC=NN;SEIZIPLZVXIWSO-UHFFFAOYSA-N;144.15;0.94;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nd_Na";;;;;;;0.87;;-1.88;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM417252;MM417252;C=C1OCC2(CC)C(C)C12;XCYXHEOBHNGMLG-UHFFFAOYSA-N;138.21;2.19;;;;;DOPC;MDCG;27;0;"MARTINI bead: SN0_SNa";;;;;;;1.17;;-1.18;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM417253;MM417253;CC=Cn1ncncc1=N;MFEGCDLKQJNTFK-UHFFFAOYSA-N;136.16;0.25;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP2_SP2";;;;;;;-1.34;;-4.31;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM417254;MM417254;C#Cc1ccc(=C)c(=C)c1;RSKUQFBQFOQWBS-UHFFFAOYSA-N;128.17;0.49;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC3_SC4";;;;;;;3.9;;0.47;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM417255;MM417255;C=CC(=CC)C(=O)CNC;NGJXEFXZXPVTFO-UHFFFAOYSA-N;139.2;0.91;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1_C5";;;;;;;0.81;;-1.58;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM417256;MM417256;N#CC1=CC(=NC=N)N=C1;GFJFAUPSZOSKEP-UHFFFAOYSA-N;132.13;0.53;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNd_SP1";;;;;;;0.04;;-2.63;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM417257;MM417257;CCC1(CO)CCC(C)C1;DPUICLRXHYSDBE-UHFFFAOYSA-N;142.24;2.2;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC4_SC3";;;;;;;3.9;;0.47;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM417258;MM417258;C=C1OCC2(CN)C(C)C12;RPXTXEVBSYZPGI-UHFFFAOYSA-N;139.2;0.74;;;;;DOPC;MDCG;27;1;"MARTINI bead: SNa_SNd";;;;;;;0.87;;-4.29;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM417259;MM417259;CN=Cn1ncncc1=N;LRBBSOOQUOLFCN-UHFFFAOYSA-N;137.15;-0.74;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP3_SP2";;;;;;;-2.2;;-5.19;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM417260;MM417260;C#CC1=CC(=O)C(=O)C=C1;ITIJHORATMPPNN-UHFFFAOYSA-N;132.12;0.25;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNa_SC4";;;;;;;2.2;;0.34;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM417261;MM417261;C=C(COC)C(C=O)=CF;QLUZOQKWSYYZKF-UHFFFAOYSA-N;144.15;1.24;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_C5";;;;;;;0.81;;-0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM417262;MM417262;N#CC1=CC(=NC=O)N=C1;XITLAJDMEQKXGW-UHFFFAOYSA-N;133.11;0.08;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNa_SP1";;;;;;;0.04;;-2.54;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM417263;MM417263;C=CC1(CO)CCC(=C)C1;JQGOWDBXZUBJEW-UHFFFAOYSA-N;138.21;1.89;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC5_SC4";;;;;;;2.97;;0.45;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM417264;MM417264;C=C1OCC2(CO)C(C)C12;XCMQGTMTHZBRSS-UHFFFAOYSA-N;140.18;0.77;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNa_SNda";;;;;;;0.87;;-1.99;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM417265;MM417265;N=c1cncnn1C=NO;IBTONTKBBNQWIV-UHFFFAOYSA-N;139.12;-0.98;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP3_SP2";;;;;;;-2.2;;-5.19;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM417266;MM417266;C#CC1=CC(=O)C(=O)C=N1;BRFNTCUDDJNTRA-UHFFFAOYSA-N;133.11;-0.27;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP1_SC5";;;;;;;0.81;;-0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM417267;MM417267;C=C(CCO)C(C=O)=NO;BUEGAENNTJLGTN-UHFFFAOYSA-N;143.14;-0.05;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda_P2";;;;;;;-0.24;;-3.31;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM417268;MM417268;C=CC1=CC(=NN=C)N=C1;QJOZIKPFGSMHCM-UHFFFAOYSA-N;133.15;1.2;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC5_SN0";;;;;;;1.94;;0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM417269;MM417269;CCC12COC(=O)C1C2C;IESYDFFHPQJTJA-UHFFFAOYSA-N;140.18;1.21;;;;;DOPC;MDCG;27;0;"MARTINI bead: SN0_SNa";;;;;;;1.17;;-1.18;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM417270;MM417270;C=CC(=NO)OCC=CC;FCTFQNVRKIWBAD-UHFFFAOYSA-N;141.17;1.55;;;;;DOPC;MDCG;27;0;"MARTINI bead: C2_Nda";;;;;;;2.83;;0.57;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM417271;MM417271;CC=Nn1ncncc1=N;JYWVBLBBJVWGQE-UHFFFAOYSA-N;137.15;-0.39;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP2_SP2";;;;;;;-1.34;;-4.31;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM417272;MM417272;C#CC#CCC(=O)C(=O)O;JQRBFNDHUXIXKW-UHFFFAOYSA-N;136.11;-0.33;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_N0";;;;;;;0.34;;-6.57;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM417273;MM417273;C=CC(=NO)C(=O)CCO;VNQQSBWECKNJED-UHFFFAOYSA-N;143.14;-0.05;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_Nda";;;;;;;-0.24;;-3.31;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM417274;MM417274;C=NN=C1C=C(C#N)C=N1;HUXZAVADOBARBN-UHFFFAOYSA-N;132.13;0.53;;;;;DOPC;MDCG;27;0;"MARTINI bead: SN0_SP1";;;;;;;0.34;;-1.53;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM417276;MM417276;CC1C2C(=O)OCC12CN;CCBUESYGDQFRBW-UHFFFAOYSA-N;141.17;-0.25;;;;;DOPC;MDCG;27;1;"MARTINI bead: SNa_SNd";;;;;;;0.87;;-4.28;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM417275;MM417275;C=CC(=NO)OCC=NN;VAANIJLESNZAOI-UHFFFAOYSA-N;143.15;-0.08;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_Nda";;;;;;;0.04;;-2.73;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM417277;MM417277;CC=Nn1ncncc1=O;ZCMZFZOMMQNZLK-UHFFFAOYSA-N;138.13;-0.51;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP2_SP2";;;;;;;-1.34;;-4.31;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM417278;MM417278;CCC(=O)OC(C=O)C=O;GEFSDEZLOHVXDX-UHFFFAOYSA-N;144.13;-0.29;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_Na";;;;;;;0.87;;-7.3;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM417279;MM417279;C=CC1=NC(=CC#N)C=C1;AZLDAHFOWRVCAS-UHFFFAOYSA-N;130.15;1.59;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC5_SN0";;;;;;;1.94;;0.53;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM417280;MM417280;COC(C#CC(=O)O)C=O;WKWUAPFRNILYNN-UHFFFAOYSA-N;142.11;-0.71;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_Nda";;;;;;;-0.24;;-7.99;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM417281;MM417281;O=C(O)C(F)C#CC=NO;ZYJLJFGNHDRKIN-UHFFFAOYSA-N;145.09;-0.13;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda_P1";;;;;;;0.04;;-7.45;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM417282;MM417282;CC1C2C(=O)OCC12CO;RRNHHJQBJPZKPJ-UHFFFAOYSA-N;142.15;-0.21;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNa_SNda";;;;;;;0.87;;-1.99;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM417283;MM417283;N=c1cnnnn1C=CF;ZMPIMNQCZQNTPE-UHFFFAOYSA-N;141.11;-0.45;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP2_SP2";;;;;;;-1.34;;-4.31;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM417284;MM417284;ON=c1onnc(F)c1O;OVCIGKSHJOEBJX-UHFFFAOYSA-N;147.07;-0.8;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP2_SP2";;;;;;;-1.34;;-9.19;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM417285;MM417285;C#CC=C(F)CNCC=O;XZPLSVOUEMYIIC-UHFFFAOYSA-N;141.15;0.26;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_P2";;;;;;;0.54;;-1.09;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM417286;MM417286;O=CC=C1C=CC(C=O)=N1;OJXVXMYSBIGBOJ-UHFFFAOYSA-N;135.12;0.28;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNa_SNa";;;;;;;0.87;;-2.22;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM417287;MM417287;C#CC(=CC)CCC=CC;VDJIRZFOFMUVJR-UHFFFAOYSA-N;134.22;2.92;;;;;DOPC;MDCG;27;0;"MARTINI bead: C2_C4";;;;;;;4.16;;0.44;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM417288;MM417288;C=C1OCC2(NC)C(C)C12;HPJRDBWWYVRHRA-UHFFFAOYSA-N;139.2;0.75;;;;;DOPC;MDCG;27;1;"MARTINI bead: SNd_SNa";;;;;;;0.87;;-3.87;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM417289;MM417289;CC=Cn1nnncc1=O;KENPJEVUUIQAEX-UHFFFAOYSA-N;138.13;-0.48;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP1_SP2";;;;;;;-1.06;;-3.82;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM417290;MM417290;C#CC(=CC)CCC=CF;UWJOQZVZHZYKHM-UHFFFAOYSA-N;138.19;2.83;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4_C4";;;;;;;3.53;;0.53;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM417291;MM417291;O=c1nnoc(O)c1F;PGMLDBJNMORLJX-UHFFFAOYSA-N;132.05;-0.73;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP2_SP2";;;;;;;-1.34;;-9.19;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM417292;MM417292;CC=C(C=O)C(N)=NCC;POVTWDBGXMJNAY-UHFFFAOYSA-N;140.19;0.51;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_Na";;;;;;;0.87;;-3.44;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM417293;MM417293;N#CC=C1C=CC(C=O)=N1;NRKGRGTZAWEMBS-UHFFFAOYSA-N;132.12;0.6;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNa_SN0";;;;;;;1.17;;-1.18;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM417294;MM417294;O=c1cnnnn1C=CF;BTRPGGSTEIYWAW-UHFFFAOYSA-N;142.09;-0.57;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP2_SP2";;;;;;;-1.34;;-4.31;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM417295;MM417295;C=C1OCC2(OC)C(C)C12;NPYLLUXKZAKEFF-UHFFFAOYSA-N;140.18;1.18;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNa_SNa";;;;;;;0.87;;-2.22;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM417296;MM417296;C#CC(=CF)CCC=CC;FPJDELGLEDZNLW-UHFFFAOYSA-N;138.19;2.83;;;;;DOPC;MDCG;27;0;"MARTINI bead: C2_C5";;;;;;;3.6;;0.34;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM417297;MM417297;N#CC(O)CCC(=O)O;NWBARPPCVKRWDS-UHFFFAOYSA-N;129.12;-0.26;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_P1";;;;;;;-1.06;;-8.68;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM417298;MM417298;CCNC(=N)C(C#N)=CN;HJZIHZCEIHMPJR-UHFFFAOYSA-N;138.17;-0.06;;;;;DOPC;MDCG;27;1;"MARTINI bead: C5_P3";;;;;;;-0.33;;-3.49;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM417299;MM417299;N#CC1=NC(=CC=O)C=C1;FGISOERVOBHLBY-UHFFFAOYSA-N;132.12;0.6;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNa_SP1";;;;;;;0.04;;-2.54;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM417300;MM417300;CN=Cn1nnncc1=O;CIUZJCRKYZDWGT-UHFFFAOYSA-N;139.12;-1.46;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP2_SP2";;;;;;;-1.34;;-4.31;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM417301;MM417301;C=C1CNC2(CN)C(C)C12;OLAUMALQSQKTTP-UHFFFAOYSA-N;138.21;0.11;;;;;DOPC;MDCG;27;1;"MARTINI bead: SP1_SP2";;;;;;;-1.06;;-6.39;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM417302;MM417302;C#CC(=CC)CCC=NN;DVRNWRVBRJXAAR-UHFFFAOYSA-N;136.2;1.29;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4_Nd";;;;;;;2.2;;0.32;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM417303;MM417303;C=CC(=CF)C(=O)NCC;OSAXQVMYDMUCMH-UHFFFAOYSA-N;143.16;1.16;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_C4";;;;;;;1.37;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM417304;MM417304;N#CC(F)(CO)CC(=O)O;QKNKMSAXMUMJQI-UHFFFAOYSA-N;147.11;-0.31;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_P1";;;;;;;-1.06;;-8.68;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM417305;MM417305;N#CC=C1C=CC(C#N)=N1;NVKOGBZEXNRDLE-UHFFFAOYSA-N;129.12;0.93;;;;;DOPC;MDCG;27;0;"MARTINI bead: SN0_SP1";;;;;;;0.34;;-1.53;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM417306;MM417306;CC=Nn1nnncc1=O;DYJRSUICQWCZDQ-UHFFFAOYSA-N;139.12;-1.11;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP2_SP2";;;;;;;-1.34;;-4.31;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM417307;MM417307;CCC12NNC(=N)C1C2C;QKPZASSWETZCPV-UHFFFAOYSA-N;139.2;0.49;;;;;DOPC;MDCG;27;1;"MARTINI bead: SNd_SP3";;;;;;;-1.1;;-6.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM417308;MM417308;CC=C(C#N)C(=O)NCC;FFQBLVUHSCLGPO-UHFFFAOYSA-N;138.17;0.59;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_N0";;;;;;;0.34;;-1.53;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM417309;MM417309;C#CC(=CC)CCC=NO;YNQJODKVFZVNOX-UHFFFAOYSA-N;137.18;1.81;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4_P1";;;;;;;1.37;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM417310;MM417310;CCn1oc(=O)c(=NN)o1;UCTFNTVANWQHIB-UHFFFAOYSA-N;145.12;-1.17;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP1_SP1";;;;;;;-0.79;;-3.13;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM417311;MM417311;C=CC1=NC(=NC=N)C=C1;OTNJULGGGAWQDX-UHFFFAOYSA-N;133.15;1.19;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC5_SNd";;;;;;;1.64;;0.03;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM417312;MM417312;C=c1ccccc1=CCC;MBXWATXXGDGWFD-UHFFFAOYSA-N;132.21;1.29;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC1_SC5";;;;;;;3.68;;0.46;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM417313;MM417313;C=C1COC2(CC)C(C)C12;KMYXOZPDOBDQQL-UHFFFAOYSA-N;138.21;1.99;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC5_SN0";;;;;;;1.94;;0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM417314;MM417314;C=NN=C(C)NC=CC#N;JLHFWXIZKVLCBP-UHFFFAOYSA-N;136.16;0.65;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nd_N0";;;;;;;1.17;;-1.04;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM417315;MM417315;C#CC(=CF)CCC=NN;HQOXSXYNSKMOHQ-UHFFFAOYSA-N;140.16;1.2;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nd_C5";;;;;;;1.64;;0.02;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM417316;MM417316;CC1=CC(CN)CCC1F;CWBWWEOLSKFKHL-UHFFFAOYSA-N;143.21;1.64;;;;;DOPC;MDCG;27;1;"MARTINI bead: SC5_SC4";;;;;;;2.97;;-0.04;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM417317;MM417317;N=CN=C1C=CC(C=O)=N1;OYTDYKQFNKNIKU-UHFFFAOYSA-N;135.13;0.2;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNd_SNa";;;;;;;0.87;;-1.88;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM417318;MM417318;C=c1ccccc1=CC#N;HREAWZLVANXGLW-UHFFFAOYSA-N;129.16;0.4;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC5_SC4";;;;;;;2.97;;0.45;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM417319;MM417319;CCC12CCC(=N)N1C2C;GZBIFVGCPFNMOC-UHFFFAOYSA-N;138.21;1.61;;;;;DOPC;MDCG;27;1;"MARTINI bead: SC5_SNd";;;;;;;1.64;;-3.11;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM417320;MM417320;C#CC(=CF)CCC=NO;YXLFDDCQXCKIBX-UHFFFAOYSA-N;141.15;1.71;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_C5";;;;;;;0.81;;-0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM417321;MM417321;CNNC(=O)C(C#N)=CN;CSEZMNDQXCXFNW-UHFFFAOYSA-N;140.15;-1.4;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_P2";;;;;;;-1.34;;-4.31;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM417322;MM417322;N#CC1=NC(=NC=N)C=C1;PVTDVAGYXKXODR-UHFFFAOYSA-N;132.13;0.53;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNd_SP1";;;;;;;0.04;;-2.63;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM417323;MM417323;COC1C=C(C)C(C)CC1;MAZRLYNVURRVTQ-UHFFFAOYSA-N;140.23;2.38;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC5_SC1";;;;;;;3.68;;0.46;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM417324;MM417324;CCC12CNC(=O)N1C2C;AOCYVBPAOPJBQD-UHFFFAOYSA-N;140.19;0.56;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP1_SP3";;;;;;;-1.93;;-4.72;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM417325;MM417325;CCN=c1cnoc(O)n1;HQZQDYUZHFZJQV-UHFFFAOYSA-N;141.13;-0.3;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP3_SP2";;;;;;;-2.2;;-9.64;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM417326;MM417326;C=CC(=CN)C(=O)NOC;FJVFUTPEUNUESJ-UHFFFAOYSA-N;142.16;-0.31;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_Nd";;;;;;;-0.24;;-3.16;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM417327;MM417327;C#CC(CCC=CC)=NN;UGXVSBHWMSEXEW-UHFFFAOYSA-N;136.2;1.29;;;;;DOPC;MDCG;27;0;"MARTINI bead: C2_Nd";;;;;;;2.83;;0.62;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM417328;MM417328;COC1C=C(C)C(N)CC1;RRUAZCVJAKXPFV-UHFFFAOYSA-N;141.21;1.07;;;;;DOPC;MDCG;27;1;"MARTINI bead: SC5_SC5";;;;;;;2.41;;-0.22;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM417329;MM417329;C=CC1=NC(=NN=C)C=C1;NJGHXQREBDRGMV-UHFFFAOYSA-N;133.15;1.2;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC5_SN0";;;;;;;1.94;;0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM417330;MM417330;C=CC12CCC(=C)C1C2C;WDIMPWLTJGMGBK-UHFFFAOYSA-N;134.22;2.77;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC4_SC4";;;;;;;3.53;;0.53;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM417331;MM417331;COC(C#CC#N)C(=O)O;FKPCFIGLIBAFBX-UHFFFAOYSA-N;139.11;-0.39;;;;;DOPC;MDCG;27;0;"MARTINI bead: N0_P1";;;;;;;0.34;;-7.31;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM417332;MM417332;COC1C=C(C)C(O)CC1;RBOMDJKSKGQVLK-UHFFFAOYSA-N;142.2;1.1;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC5_SNda";;;;;;;1.64;;0.05;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM417333;MM417333;C=CC(=CF)C(=O)NOC;OEWIFWUQOBMSJT-UHFFFAOYSA-N;145.13;0.7;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_C4";;;;;;;1.09;;-0.37;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM417334;MM417334;C=NN=C1C=CC(C=O)=N1;BMFAGBMUXOARPE-UHFFFAOYSA-N;135.13;0.21;;;;;DOPC;MDCG;27;0;"MARTINI bead: SN0_SNa";;;;;;;1.17;;-1.18;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM417335;MM417335;C#CC(=CC)CNC=NC;YEJRGUOBHJMNQI-UHFFFAOYSA-N;136.2;0.81;;;;;DOPC;MDCG;27;1;"MARTINI bead: C4_P1";;;;;;;1.37;;-2.96;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM417336;MM417336;C=C1CCC2(C=O)C(C)C12;SKGZMUOKWUNOGI-UHFFFAOYSA-N;136.19;1.79;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC4_SNa";;;;;;;2.2;;0.34;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM417337;MM417337;N=c1nn[nH]nc1O;UWJZGPMSDSLATG-UHFFFAOYSA-N;113.08;-1.62;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP3_SP2";;;;;;;-2.2;;-9.64;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM417338;MM417338;C=CC(=NO)C(=N)NCC;SNKGCWFGMRUQIU-UHFFFAOYSA-N;141.17;0.59;;;;;DOPC;MDCG;27;1;"MARTINI bead: C5_P2";;;;;;;0.54;;-2.37;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM417339;MM417339;COC1C=C(C)C(F)CC1;OHRWGJXHXVBPQC-UHFFFAOYSA-N;144.19;2.08;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC5_SC4";;;;;;;2.97;;0.45;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM417340;MM417340;C=NN=C1C=CC(C#N)=N1;CCJANRAJWBXZHJ-UHFFFAOYSA-N;132.13;0.53;;;;;DOPC;MDCG;27;0;"MARTINI bead: SN0_SP1";;;;;;;0.34;;-1.53;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM417341;MM417341;C#CC(=CF)CNC=NC;XJGVOYRPMSLTJJ-UHFFFAOYSA-N;140.16;0.72;;;;;DOPC;MDCG;27;1;"MARTINI bead: P2_C5";;;;;;;0.54;;-4.04;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM417342;MM417342;C=CC12CCC(=O)C1C2C;FCRVHSYJOPJRPW-UHFFFAOYSA-N;136.19;1.79;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNa_SC4";;;;;;;2.2;;0.34;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM417343;MM417343;O=Cc1cc(=O)n(O)[nH]1;GPOCYBFXBLDXHN-UHFFFAOYSA-N;128.09;-0.77;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP2_SP1";;;;;;;-1.06;;-9.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM417344;MM417344;CC(C)N(N)C(=O)CCF;AWMKJIABFLWVFT-UHFFFAOYSA-N;148.18;0.46;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_Na";;;;;;;0.04;;-2.54;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM417345;MM417345;COC1C=C(F)C(C)CC1;VPYCJGPUGLSWDP-UHFFFAOYSA-N;144.19;2.28;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC5_SC3";;;;;;;3.34;;0.48;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM417346;MM417346;C=CC1=NC(=CC=O)C=N1;ANBOYKKXNQZFSN-UHFFFAOYSA-N;134.14;0.74;;;;;DOPC;MDCG;27;0;"MARTINI bead: SN0_SP1";;;;;;;0.34;;-1.53;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM417347;MM417347;C#CC(CNC=NC)=NN;HOMCHHXWDINILC-UHFFFAOYSA-N;138.17;-0.82;;;;;DOPC;MDCG;27;1;"MARTINI bead: P2_Nd";;;;;;;-0.24;;-5.73;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM417348;MM417348;O=c1nc(F)c(O)no1;ADTRUWICFFPUHA-UHFFFAOYSA-N;132.05;-0.73;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP2_SP3";;;;;;;-2.2;;-9.64;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM417349;MM417349;CC1C2C(=O)CCC12C=O;GOWAZJJQVZQOBE-UHFFFAOYSA-N;138.17;0.8;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNa_SNa";;;;;;;0.87;;-2.22;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM417350;MM417350;CCNC(=O)C(C=O)=NO;RQXQOLYFGDEMJK-UHFFFAOYSA-N;144.13;-0.85;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_P3";;;;;;;-0.33;;-2.01;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM417351;MM417351;CC1=CC(CO)NCC1N;WWDYYMKMCGEYDI-UHFFFAOYSA-N;142.2;-0.78;;;;;DOPC;MDCG;27;1;"MARTINI bead: SP1_SP1";;;;;;;-0.79;;-5.04;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM417352;MM417352;C=CC1=NC(=CC#N)C=N1;KYFUHURCIFLWOG-UHFFFAOYSA-N;131.14;1.06;;;;;DOPC;MDCG;27;0;"MARTINI bead: SN0_SP1";;;;;;;0.34;;-1.53;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM417353;MM417353;C#CC(CNC=NC)=NO;DYPYIFPEPUDBMP-UHFFFAOYSA-N;139.16;-0.3;;;;;DOPC;MDCG;27;1;"MARTINI bead: P2_Nda";;;;;;;-0.24;;-6.33;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM417354;MM417354;N=c1nn[nH]c(=NO)o1;WBQCRKNHYFRUJC-UHFFFAOYSA-N;129.08;-1.83;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP3_SP3";;;;;;;-3.07;;-10.28;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM417355;MM417355;CC1C2C(=O)CCC12C#N;XQPJNQGJAFOWBN-UHFFFAOYSA-N;135.17;1.13;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNa_SC5";;;;;;;1.64;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM417356;MM417356;CC1=CC(CN)OCC1C;IQHGJYSXYBSJEO-UHFFFAOYSA-N;141.21;0.93;;;;;DOPC;MDCG;27;1;"MARTINI bead: SC5_SNda";;;;;;;1.64;;-1.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM417357;MM417357;Cc1non(C(=O)O)c1=N;ZUQHKRSUSXPJCB-UHFFFAOYSA-N;143.1;-0.21;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNa_SP4";;;;;;;-1.19;;-8.62;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM417358;MM417358;O=CC=C1C=NC(C=O)=N1;CSAYGFRYPDUJLO-UHFFFAOYSA-N;136.11;-0.25;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP1_SP1";;;;;;;-0.79;;-3.13;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM417359;MM417359;C#CC(=CC)COC=CF;HGTIXMRCTMJCTH-UHFFFAOYSA-N;140.16;2.02;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4_Na";;;;;;;2.2;;0.34;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM417360;MM417360;C=CC12CNC(=N)C1C2C;SGGZUBIPHGUFQV-UHFFFAOYSA-N;136.2;1.01;;;;;DOPC;MDCG;27;1;"MARTINI bead: SNd_SC4";;;;;;;2.2;;-3.96;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM417361;MM417361;CN=c1nn[nH]c(=NO)o1;MTZSZVKFCJGWSJ-UHFFFAOYSA-N;143.11;-1.78;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP2_SP3";;;;;;;-2.2;;-9.64;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM417362;MM417362;CON=C(N)C(C)C(C)=O;RJKCHDYMZZNWIK-UHFFFAOYSA-N;144.17;0.13;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_Na";;;;;;;-0.24;;-3.24;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM417363;MM417363;CCN1CCC(F)C(C)=N1;JRHIQLFRSGISEN-UHFFFAOYSA-N;144.19;1.43;;;;;DOPC;MDCG;27;0;"MARTINI bead: SN0_SNa";;;;;;;1.17;;-1.18;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM417364;MM417364;N#CC=C1C=NC(C=O)=N1;VJXKWQMGVGAYRC-UHFFFAOYSA-N;133.11;0.08;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP1_SP1";;;;;;;-0.79;;-3.13;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM417365;MM417365;C#CC(=CF)COC=CC;PYKRAIAJYJRGLO-UHFFFAOYSA-N;140.16;2.02;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_C5";;;;;;;2.41;;0.64;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM417366;MM417366;CC1C2C(=N)NCC12C#N;HWKXTVHOXGLBDA-UHFFFAOYSA-N;135.17;0.34;;;;;DOPC;MDCG;27;1;"MARTINI bead: SNd_SC5";;;;;;;1.64;;-4.02;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM417367;MM417367;Nn1nc(O)oc1=O;AHZQULZGAQKOHN-UHFFFAOYSA-N;117.06;-1.74;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP1_SP3";;;;;;;-1.93;;-9.09;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM417368;MM417368;CON=C(N)C(C=O)=NO;IARSTKQIGAREOK-UHFFFAOYSA-N;145.12;-1.07;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_P1";;;;;;;-1.06;;-3.82;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM417369;MM417369;CCN1CCN(C)C(C)=N1;HENYSZRHQSVJGD-UHFFFAOYSA-N;141.22;0.59;;;;;DOPC;MDCG;27;1;"MARTINI bead: SP2_SP1";;;;;;;-1.06;;-5.53;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM417370;MM417370;C=C1C=CC(CC)(CO)C1;SRXUWLZUNNXGCU-UHFFFAOYSA-N;138.21;1.89;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC5_SC4";;;;;;;2.97;;0.45;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM417371;MM417371;N#CC1=NC(=CC=O)C=N1;ARJYNOHSQBSHQO-UHFFFAOYSA-N;133.11;0.08;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP1_SP1";;;;;;;-0.79;;-3.13;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM417372;MM417372;C=CC12CNC(=O)C1C2C;GTOCMYIABNAYCD-UHFFFAOYSA-N;137.18;0.55;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP2_SC4";;;;;;;1.09;;-0.38;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM417373;MM417373;N=c1nn[nH]nc1C1CN1;FOZCJJFJKKTYCR-UHFFFAOYSA-N;138.13;-1.68;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP2_SP3";;;;;;;-2.2;;-9.64;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM417374;MM417374;C=Cn1oc(=O)c(=NN)o1;WAFNTIMWCDMDFQ-UHFFFAOYSA-N;143.1;-1.09;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP1_SP1";;;;;;;-0.79;;-3.13;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM417375;MM417375;O=C(O)C#CC(F)CO;XBCBNUFQHOANQO-UHFFFAOYSA-N;132.09;-0.6;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_P1";;;;;;;-0.79;;-7.99;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM417376;MM417376;C#CC(=CC)COC=NO;LUQVQVVFOQEYLX-UHFFFAOYSA-N;139.15;1;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4_P2";;;;;;;1.09;;-0.38;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM417377;MM417377;N#CC=C1C=NC(C#N)=N1;HNEICKLLHIKNQM-UHFFFAOYSA-N;130.11;0.4;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP1_SP1";;;;;;;-0.79;;-3.13;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM417378;MM417378;CC1C2C(=O)NCC12C=O;DGVSYSSDWVHPSE-UHFFFAOYSA-N;139.15;-0.43;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP2_SNa";;;;;;;-0.24;;-3.24;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM417379;MM417379;C=CC1C=C(C)C(C)CC1;VMTOKSJQVBTUBB-UHFFFAOYSA-N;136.24;3.16;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC1_SC2";;;;;;;4.87;;0.53;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM417380;MM417380;CC=c1ccoc1=CCC;NSSVGSGBDAZIMC-UHFFFAOYSA-N;136.19;1.27;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC3_SN0";;;;;;;2.87;;0.37;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM417381;MM417381;C=CC(=CC)C(=C)OCC;SAJTUHQBSKMHEN-UHFFFAOYSA-N;138.21;2.67;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_C1";;;;;;;3.68;;0.46;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM417382;MM417382;CC1=NC(C#N)(C#N)CN1;LWPBFKZXQKWFEN-UHFFFAOYSA-N;134.14;-0.21;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNd_SP1";;;;;;;0.04;;-2.63;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM417383;MM417383;C=CC1=NC(=NC=N)C=N1;RRJXKBLOBJHDHF-UHFFFAOYSA-N;134.14;0.66;;;;;DOPC;MDCG;27;0;"MARTINI bead: SN0_SP1";;;;;;;0.34;;-1.53;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM417384;MM417384;CC1C2C(=O)NCC12C#N;GFRKGVPPDSUCSK-UHFFFAOYSA-N;136.15;-0.11;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP2_SC5";;;;;;;0.54;;-1.09;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM417385;MM417385;C=CC(=CF)C(=C)OCC;DHERNYTVKFZONN-UHFFFAOYSA-N;142.17;2.58;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_C4";;;;;;;2.97;;0.45;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM417386;MM417386;CC=c1occc1=CCC;QRXYDDNWKXVKAE-UHFFFAOYSA-N;136.19;1.27;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC3_SN0";;;;;;;2.87;;0.37;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM417387;MM417387;C=CC1C=C(F)C(C)CC1;MDNPDVTWNBLKQO-UHFFFAOYSA-N;140.2;3.07;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC2_SC3";;;;;;;4.53;;0.32;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM417388;MM417388;C#CC(=CF)COC=NO;KHWILGDENDJAJB-UHFFFAOYSA-N;143.12;0.91;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_C5";;;;;;;0.54;;-1.09;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM417389;MM417389;N=CN=C1C=NC(C=O)=N1;TYONQIBWMUKCFO-UHFFFAOYSA-N;136.11;-0.33;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP1_SP1";;;;;;;-0.79;;-3.13;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM417390;MM417390;C#CC=c1ccoc1=CC;CGTQQWRCYHTSCO-UHFFFAOYSA-N;132.16;0.49;;;;;DOPC;MDCG;27;0;"MARTINI bead: SN0_SC4";;;;;;;2.5;;0.44;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM417391;MM417391;C=CC12COC(=C)C1C2C;OEHQZENYRQPRHU-UHFFFAOYSA-N;136.19;1.97;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNa_SC4";;;;;;;2.2;;0.34;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM417392;MM417392;CC1=CN(C=N)OCC1C;OTIVLQCEOLJPRN-UHFFFAOYSA-N;140.19;1.38;;;;;DOPC;MDCG;27;1;"MARTINI bead: SN0_SP1";;;;;;;0.34;;-2.54;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM417393;MM417393;C=C(OCC)C(C#N)=CC;KNVFVXPKEQLZGI-UHFFFAOYSA-N;137.18;2.01;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_N0";;;;;;;1.94;;0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM417394;MM417394;C#CC(=CC)CON=CC;GDHMIDJXIWZLQQ-UHFFFAOYSA-N;137.18;1.59;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_C4";;;;;;;1.37;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM417395;MM417395;N#CC1=NC(=NC=N)C=N1;RPUOPBYUHMQLMR-UHFFFAOYSA-N;133.11;;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP1_SP1";;;;;;;-0.79;;-3.13;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM417396;MM417396;C=C(F)CN=C(NN)OC;XFWJAZSNOQVBDK-UHFFFAOYSA-N;147.15;-0.06;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_C5";;;;;;;0.54;;-1.09;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM417397;MM417397;CC1=NN(C=O)CCN1C;AWNNWGXPXPFKDT-UHFFFAOYSA-N;141.17;-0.28;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP1_SP2";;;;;;;-1.06;;-3.82;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM417398;MM417398;C=C1OCC2(C=O)C(C)C12;KIUXLNAGHDCADU-UHFFFAOYSA-N;138.17;0.98;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNa_SNa";;;;;;;0.87;;-2.22;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM417399;MM417399;C=C(OCC)C(C=O)=CN;OKULDQCQHAUVCW-UHFFFAOYSA-N;141.17;0.58;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_P2";;;;;;;0.54;;-1.09;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM417400;MM417400;C#CC(=CF)CON=CC;YTXDMUDVKZEVNL-UHFFFAOYSA-N;141.15;1.5;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_C5";;;;;;;1.64;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM417401;MM417401;C=CC1=NC(=NN=C)C=N1;BGDRXGGIUFOSLV-UHFFFAOYSA-N;134.14;0.67;;;;;DOPC;MDCG;27;0;"MARTINI bead: SN0_SN0";;;;;;;1.47;;-0.05;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM417402;MM417402;C=CCC1C(C)C1NCC;ZPPXIADGCJILCK-UHFFFAOYSA-N;139.24;1.81;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_SC3";;;;;;;2.57;;-1.74;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM417403;MM417403;C=C(OCC)C(C#N)=CN;GGOTXSRDXSEGAY-UHFFFAOYSA-N;138.17;0.9;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_P1";;;;;;;0.81;;-0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM417404;MM417404;C=CC12COC(=O)C1C2C;PZAUKCFILWJORR-UHFFFAOYSA-N;138.17;0.98;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNa_SC4";;;;;;;2.2;;0.34;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM417405;MM417405;C#CC(COC=CC)=NN;CFDKQWPWKGGNPS-UHFFFAOYSA-N;138.17;0.48;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_P1";;;;;;;0.81;;-0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM417406;MM417406;CC1=NN(C=O)CCN1N;BTCNKUVVCJWSSP-UHFFFAOYSA-N;142.16;-1.03;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP2_SP2";;;;;;;-1.34;;-4.31;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM417407;MM417407;C=NN=C1C=NC(C=O)=N1;LNISMYZXKBRWGD-UHFFFAOYSA-N;136.11;-0.32;;;;;DOPC;MDCG;27;0;"MARTINI bead: SN0_SP1";;;;;;;0.34;;-1.53;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM417408;MM417408;C#CC(COC=CF)=NN;MBLKCOFKMOIDKE-UHFFFAOYSA-N;142.13;0.39;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nd_Na";;;;;;;0.87;;-1.88;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM417409;MM417409;CCNC1C(C)C1CC#N;GJJYWSPXLMRXCJ-UHFFFAOYSA-N;138.21;1.14;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_SC5";;;;;;;1.64;;-1.92;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM417410;MM417410;C=C(OCC)C(C#N)=CF;RPNTWYVDCUXUII-UHFFFAOYSA-N;141.15;1.91;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_Na";;;;;;;1.64;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM417411;MM417411;CC1C2C(=O)OCC12C#N;QIVLZHOULRDAHO-UHFFFAOYSA-N;137.14;0.32;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNa_SC5";;;;;;;1.64;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM417412;MM417412;N=Cn1oc(=O)c(=NN)o1;JXSDAMQQHQVEFI-UHFFFAOYSA-N;144.09;-1.74;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP1_SP2";;;;;;;-1.06;;-3.82;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM417413;MM417413;C=CC1=NC(=CC=O)N=C1;KCXIDVLBIPRQHP-UHFFFAOYSA-N;134.14;0.74;;;;;DOPC;MDCG;27;0;"MARTINI bead: SN0_SNa";;;;;;;1.17;;-1.18;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM417414;MM417414;C=CCC1C(CNC)N1C;UFFMCCUZOBJJBP-UHFFFAOYSA-N;140.23;0.46;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1_SNd";;;;;;;0.04;;-5.13;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM417415;MM417415;C#CC(=NC)NCC=CC;ZPKRHBJOIVXIMY-UHFFFAOYSA-N;136.2;0.81;;;;;DOPC;MDCG;27;1;"MARTINI bead: C2_P1";;;;;;;2;;-0.57;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM417416;MM417416;C=CC12COC(=C)C1C2N;JTXVPNDYXVWAFX-UHFFFAOYSA-N;137.18;0.66;;;;;DOPC;MDCG;27;1;"MARTINI bead: SNa_SNd";;;;;;;0.87;;-3.97;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM417417;MM417417;C=CC(=CC)C(=O)OCC;LABSWZCLTOYXDS-UHFFFAOYSA-N;140.18;1.68;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_C1";;;;;;;2.91;;0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM417418;MM417418;CN=c1oc(NC)nn1C;WYYGALOEVSZPAU-UHFFFAOYSA-N;142.16;-0.41;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP1_SP2";;;;;;;-1.06;;-3.82;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM417419;MM417419;C=CC1=NC(=CC#N)N=C1;AACWFAPXLCBQAH-UHFFFAOYSA-N;131.14;1.06;;;;;DOPC;MDCG;27;0;"MARTINI bead: SN0_SN0";;;;;;;1.47;;-0.05;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM417420;MM417420;C#CC1(CCC(C)=O)CN1;WWMJBOPKJJWMJV-UHFFFAOYSA-N;137.18;0.33;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_SP1";;;;;;;-0.79;;-3.13;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM417421;MM417421;C=CC12NNC(=O)C1C2C;NIGVCWFFODNXAJ-UHFFFAOYSA-N;138.17;-0.19;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP3_SNd";;;;;;;-1.1;;-3.93;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM417422;MM417422;C#CC(=NO)NCC=CF;ZZYAVJDCAZSPOX-UHFFFAOYSA-N;142.13;0.48;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_C4";;;;;;;1.09;;-0.38;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM417423;MM417423;C=C1CCC(CC)C=C1C;YBLSFXWURWXWCA-UHFFFAOYSA-N;136.24;3.31;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC1_SC1";;;;;;;4.95;;0.69;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM417424;MM417424;C=CC(=CN)C(=O)OCC;MNNFBZVKXFRUBT-UHFFFAOYSA-N;141.17;0.58;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_Nd";;;;;;;0.87;;-1.88;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM417425;MM417425;C#CCC1C(O)C1CCF;KXGFNGQZILQWRA-UHFFFAOYSA-N;142.17;0.98;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_SNda";;;;;;;1.64;;0.05;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM417426;MM417426;O=CC=C1N=CC(C=O)=N1;NJXJZLRGNFOEDD-UHFFFAOYSA-N;136.11;-0.25;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNa_SP1";;;;;;;0.04;;-2.54;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM417427;MM417427;C=CC(=O)C(C)=NNCC;CWAZVPBESSGNMH-UHFFFAOYSA-N;140.19;0.73;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nd_Na";;;;;;;0.87;;-1.88;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM417428;MM417428;C=CC12COC(=C)C1N2C;SVLNTMQVJOCNLO-UHFFFAOYSA-N;137.18;0.77;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNa_SNd";;;;;;;0.87;;-1.88;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM417429;MM417429;C=C1CCC(CN)C=C1C;LFRJURIMEFFQDG-UHFFFAOYSA-N;137.23;1.86;;;;;DOPC;MDCG;27;1;"MARTINI bead: SC5_SC1";;;;;;;3.68;;0.56;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM417430;MM417430;CC=C(C=O)C(=O)OCC;IBDFEQMUJCXQDG-UHFFFAOYSA-N;142.15;0.69;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_Na";;;;;;;0.87;;-2.22;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM417431;MM417431;C#CCC1C(C)C1CNC;MMXBXXORHYDINI-UHFFFAOYSA-N;137.23;1.11;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1_SC4";;;;;;;1.37;;-3.07;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM417432;MM417432;N#CC=C1N=CC(C=O)=N1;HXKGHQVIZXZMLL-UHFFFAOYSA-N;133.11;0.08;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP1_SN0";;;;;;;0.34;;-1.53;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM417433;MM417433;CC=NN=C(C)C(C)C#N;MMIMKQCYUFCQQZ-UHFFFAOYSA-N;137.19;1.61;;;;;DOPC;MDCG;27;0;"MARTINI bead: C3_P1";;;;;;;1.74;;0.29;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM417434;MM417434;CC1N2C(=O)CCC12C#N;YHBAQLYBRDIKFV-UHFFFAOYSA-N;136.15;0.27;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP2_SP1";;;;;;;-1.06;;-3.82;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM417435;MM417435;CC=C(C#N)C(=O)OCC;WIUDWAAJQVNSOH-UHFFFAOYSA-N;139.15;1.02;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_N0";;;;;;;1.17;;-1.18;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM417436;MM417436;C=C1CCC(NC)C=C1C;ZLZQVAGRXAYLER-UHFFFAOYSA-N;137.23;1.87;;;;;DOPC;MDCG;27;1;"MARTINI bead: SNd_SC1";;;;;;;2.91;;-0.29;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM417437;MM417437;C#CCC1C(N)C1CNC;UEOWALTVDSSXEX-UHFFFAOYSA-N;138.21;-0.2;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1_SNd";;;;;;;0.04;;-5.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM417438;MM417438;N#CC1=NC(=CC=O)N=C1;KPSNNMVDXNHAKH-UHFFFAOYSA-N;133.11;0.08;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNa_SP1";;;;;;;0.04;;-2.54;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM417439;MM417439;C=CC12CNC(=N)N1C2C;YTBPDVVAZVTZEF-UHFFFAOYSA-N;137.19;0.15;;;;;DOPC;MDCG;27;1;"MARTINI bead: SP2_SN0";;;;;;;0.06;;-5.88;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM417440;MM417440;CC=NN=CNC(C)=CF;LCKVOZVBWNUAPZ-UHFFFAOYSA-N;143.17;1.44;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_Nda";;;;;;;1.64;;0.05;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM417441;MM417441;CCOC(=O)C(C#N)=CF;ZFXUIJSXNUZWNW-UHFFFAOYSA-N;143.12;0.93;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_Na";;;;;;;0.87;;-2.22;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM417442;MM417442;C=C1CCC(OC)C=C1C;VVTRKYVKKRMBTJ-UHFFFAOYSA-N;138.21;2.3;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC5_SC1";;;;;;;3.68;;0.46;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM417443;MM417443;C#CCC1C(C)C1NCC;KEFIDODUDVPHMH-UHFFFAOYSA-N;137.23;1.25;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_SC4";;;;;;;2.2;;-2.39;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM417444;MM417444;N#CC=C1N=CC(C#N)=N1;WYVJGYMWDGPKKR-UHFFFAOYSA-N;130.11;0.4;;;;;DOPC;MDCG;27;0;"MARTINI bead: SN0_SP1";;;;;;;0.34;;-1.53;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM417445;MM417445;C#CC12CCC(=C)C1C2C;OGPVGAFXOLXTJN-UHFFFAOYSA-N;132.21;2.22;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC4_SC4";;;;;;;3.53;;0.53;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM417446;MM417446;C#CC(=NO)NNC=NO;SBPXOCHRHYHHGD-UHFFFAOYSA-N;142.12;-1.08;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_P2";;;;;;;-1.06;;-3.82;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM417447;MM417447;C=CC(=NN)C(=C)OCC;MDOGIUXRVATELP-UHFFFAOYSA-N;140.19;1.04;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_Nd";;;;;;;1.64;;0.02;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM417448;MM417448;COC1C=C(C)C(=O)CC1;ANMDFRDAALZPRF-UHFFFAOYSA-N;140.18;1.31;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC5_SC5";;;;;;;2.41;;0.64;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM417449;MM417449;C=CCC1C(C)C1CC=C;OFBPRUJJXOPTGQ-UHFFFAOYSA-N;136.24;3.02;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC3_C4";;;;;;;3.9;;0.47;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM417450;MM417450;C=CC1=NC(=NC=N)N=C1;CIWOPQXEUUYPIB-UHFFFAOYSA-N;134.14;0.66;;;;;DOPC;MDCG;27;0;"MARTINI bead: SN0_SP1";;;;;;;0.34;;-1.53;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM417451;MM417451;C#CC12CNC(=N)C1C2C;SEUAAWZLSUAGCB-UHFFFAOYSA-N;134.18;0.45;;;;;DOPC;MDCG;27;1;"MARTINI bead: SNd_SC4";;;;;;;2.2;;-3.62;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM417452;MM417452;C#CC(=CC)OCC=CC;JMAPJZTWYWHBHU-UHFFFAOYSA-N;136.19;2.12;;;;;DOPC;MDCG;27;0;"MARTINI bead: C2_Na";;;;;;;2.83;;0.35;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM417453;MM417453;N#CC(=CCO)CC(=O)O;DLEHBVMGOUJORG-UHFFFAOYSA-N;141.13;-0.1;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_P1";;;;;;;-0.79;;-7.99;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM417454;MM417454;C=C1CNC(CO)C=C1C;RTAJDFAHVWHIPN-UHFFFAOYSA-N;139.2;0.45;;;;;DOPC;MDCG;27;1;"MARTINI bead: SP1_SN0";;;;;;;0.34;;-2.77;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM417455;MM417455;C=CCC1C(C)C1CC#N;UHLVBVMACPHVNE-UHFFFAOYSA-N;135.21;2.36;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC3_P1";;;;;;;1.74;;0.29;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM417456;MM417456;N=CN=C1N=CC(C=O)=N1;VYHFUUUACLZIAM-UHFFFAOYSA-N;136.11;-0.33;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP1_SP1";;;;;;;-0.79;;-3.13;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM417457;MM417457;C#CC12CNC(=O)C1C2C;UHCITBBSRBGZNQ-UHFFFAOYSA-N;135.17;;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP2_SC4";;;;;;;1.09;;-0.38;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM417458;MM417458;C#CC(=CC)OCC=CF;LQHUIEAAKGTNRM-UHFFFAOYSA-N;140.16;2.02;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_C4";;;;;;;2.2;;0.34;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM417459;MM417459;C=C1COC(CC)C=C1C;UKVHKLZDZZMYTC-UHFFFAOYSA-N;138.21;2.3;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC5_SC5";;;;;;;2.41;;0.64;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM417460;MM417460;C=CCC(=C)C(C=C)=CC;KTUXHFMSKGFWCV-UHFFFAOYSA-N;134.22;3.25;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1_C4";;;;;;;4.24;;0.42;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM417461;MM417461;C=CCC1C(C)C1OC=C;RWTOHBGFAXZGRG-UHFFFAOYSA-N;138.21;2.36;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4_SC5";;;;;;;2.97;;0.45;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM417462;MM417462;N#CC1=NC(=NC=N)N=C1;TVMBBOWDYHNPDG-UHFFFAOYSA-N;133.11;;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP1_SP1";;;;;;;-0.79;;-3.13;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM417463;MM417463;C#CC12CNC(=O)C1C2N;DIXHRIIWNVEJGB-UHFFFAOYSA-N;136.15;-1.31;;;;;DOPC;MDCG;27;1;"MARTINI bead: SP2_SNd";;;;;;;-0.24;;-4.33;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM417464;MM417464;C#CC(=CF)OCC=CC;VGWQIHXMAOJIPW-UHFFFAOYSA-N;140.16;2.02;;;;;DOPC;MDCG;27;0;"MARTINI bead: C2_Na";;;;;;;2.83;;0.35;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM417465;MM417465;C=CCC1C(CC#N)N1C;PCBFBAKVDYGGLF-UHFFFAOYSA-N;136.2;1.16;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4_SNd";;;;;;;2.2;;0.32;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM417466;MM417466;Cc1noc(=NN)c(=O)o1;FEIUIUZZFLUOBL-UHFFFAOYSA-N;143.1;-1.29;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP1_SP2";;;;;;;-1.06;;-3.82;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM417467;MM417467;C=CC(=CC)C(=C)CC#N;BISWEBADUONMOV-UHFFFAOYSA-N;133.19;2.59;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1_P1";;;;;;;2.08;;0.48;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM417468;MM417468;C=NN=C1N=CC(C=O)=N1;OCUHXAXWHDECCU-UHFFFAOYSA-N;136.11;-0.32;;;;;DOPC;MDCG;27;0;"MARTINI bead: SN0_SP1";;;;;;;0.34;;-1.53;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM417469;MM417469;C#CC12COC(=O)C1C2C;UKBIIWUMAGSKPF-UHFFFAOYSA-N;136.15;0.43;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNa_SC4";;;;;;;2.2;;0.34;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM417470;MM417470;C#CC(=CF)OCC=CF;FNFNQVRXMFYCCG-UHFFFAOYSA-N;144.12;1.93;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4_Na";;;;;;;2.2;;0.34;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM417471;MM417471;C#CCC1C(C)C1CC=C;RPZJCEDJGMTBHN-UHFFFAOYSA-N;134.22;2.47;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4_SC4";;;;;;;3.53;;0.53;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM417472;MM417472;C=C1CCN(CC)N=C1C;PIWYUTFPOUUEGZ-UHFFFAOYSA-N;138.21;1.64;;;;;DOPC;MDCG;27;0;"MARTINI bead: SN0_SP1";;;;;;;0.34;;-1.53;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM417473;MM417473;C=C(CC#N)C(C#N)=CC;NZYICSWOVRJQHG-UHFFFAOYSA-N;132.17;1.93;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4_P1";;;;;;;1.37;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM417474;MM417474;C=NN=C1N=CC(C#N)=N1;GBYNNWCMBQTWFQ-UHFFFAOYSA-N;133.11;0.01;;;;;DOPC;MDCG;27;0;"MARTINI bead: SN0_SP1";;;;;;;0.34;;-1.53;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM417475;MM417475;C#CC12CCC(=N)N1C2C;QXLZNVIVVQIXOE-UHFFFAOYSA-N;134.18;0.83;;;;;DOPC;MDCG;27;1;"MARTINI bead: SNd_SP1";;;;;;;0.04;;-3.94;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM417476;MM417476;C#CC(=CC)OCC=NN;QKGULMIXXAASJW-UHFFFAOYSA-N;138.17;0.48;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_Nd";;;;;;;0.87;;-1.88;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM417477;MM417477;C#CCN1C(C)C1CC=C;RZUFVBBEFRQUED-UHFFFAOYSA-N;135.21;1.27;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4_SNd";;;;;;;2.2;;0.34;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM417478;MM417478;CNc1n[nH]c(NC)c1N;WGLFHGWYVXOFJT-UHFFFAOYSA-N;141.18;0.08;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP1_SNd";;;;;;;0.04;;-2.63;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM417479;MM417479;C=C(CC=O)C(C=O)=CN;XQTQCRPNWHBSRU-UHFFFAOYSA-N;139.15;0.17;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_Na";;;;;;;-0.24;;-3.24;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM417480;MM417480;C#CC=C1C=CC(C=C)=C1;GRSQJGICLWFDHY-UHFFFAOYSA-N;128.17;2.23;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC4_SC4";;;;;;;3.53;;0.53;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM417481;MM417481;CC1C2C(N)C=CC12CN;IFGGJBDHDCFKEX-UHFFFAOYSA-N;138.21;0.09;;;;;DOPC;MDCG;27;1;"MARTINI bead: SNd_SNd";;;;;;;0.87;;-4.87;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM417482;MM417482;C#CC(=CF)OCC=NN;IQTHRPRKIWCCML-UHFFFAOYSA-N;142.13;0.39;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nd_Na";;;;;;;0.87;;-1.88;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM417483;MM417483;C=C1CCC(C=O)C=C1C;VHVYQMZRQWKJKC-UHFFFAOYSA-N;136.19;2.1;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNa_SC1";;;;;;;2.91;;0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM417484;MM417484;C#CCC1C(N)C1CC#C;DRDIPZMPJBWTSV-UHFFFAOYSA-N;133.19;0.61;;;;;DOPC;MDCG;27;1;"MARTINI bead: N0_SNd";;;;;;;1.17;;-3.64;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM417485;MM417485;C=C(CC#N)C(C#N)=CN;MHESOOUMAUAVHG-UHFFFAOYSA-N;133.15;0.82;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_N0";;;;;;;0.34;;-1.53;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM417486;MM417486;CNC12C=CC(N)C1C2C;ILKUFIGSRAVACD-UHFFFAOYSA-N;138.21;0.11;;;;;DOPC;MDCG;27;1;"MARTINI bead: SNd_SNd";;;;;;;0.87;;-4.43;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM417487;MM417487;C#CC=C1C=CC(C=O)=C1;HRLGQYGCNOOIDY-UHFFFAOYSA-N;130.15;1.24;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNa_SC4";;;;;;;2.2;;0.34;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM417488;MM417488;CCCCC1CC1(O)CC;PDTRDCZXIJBZCA-UHFFFAOYSA-N;142.24;2.34;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1_SNda";;;;;;;2.91;;0.57;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM417489;MM417489;C=C1CCN(C=N)C=C1C;TZNUELTWPIKYLN-UHFFFAOYSA-N;136.2;1.76;;;;;DOPC;MDCG;27;1;"MARTINI bead: SNd_SN0";;;;;;;1.17;;-4.36;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM417490;MM417490;CC=CC1C(N)C1NCC;GYIFLFSYOPQMJB-UHFFFAOYSA-N;140.23;0.5;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_SNd";;;;;;;0.87;;-4.49;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM417491;MM417491;C=CC(=CC)C(=O)CC=O;VNQKKOOLVVJYSM-UHFFFAOYSA-N;138.17;1.28;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_Na";;;;;;;1.64;;-0.05;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM417492;MM417492;CN1C2C(N)C=CC21CN;METCYOHWLRVUSK-UHFFFAOYSA-N;139.2;-1.11;;;;;DOPC;MDCG;27;1;"MARTINI bead: SNd_SP1";;;;;;;0.04;;-4.74;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM417493;MM417493;C#CC=C1C=CC(C#N)=C1;RTBBCYCFTYTCHV-UHFFFAOYSA-N;127.15;1.57;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC4_SN0";;;;;;;2.5;;0.44;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM417494;MM417494;C#CC(=NO)OCC=CC;BPMNBNAZYUJSJD-UHFFFAOYSA-N;139.15;1;;;;;DOPC;MDCG;27;0;"MARTINI bead: C2_P2";;;;;;;1.72;;0.28;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM417495;MM417495;C=C1CCN(C=O)C=C1C;TYIDIPFKFNOYCH-UHFFFAOYSA-N;137.18;1.31;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNda_SN0";;;;;;;1.17;;-1.13;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM417496;MM417496;CN=CN1C(C)C1CNC;NGTPQUMROKRLHY-UHFFFAOYSA-N;141.22;-0.06;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1_SNd";;;;;;;0.04;;-4.68;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM417497;MM417497;C=CC(=CN)C(=O)CC=O;QLZMQZOPLCSADY-UHFFFAOYSA-N;139.15;0.17;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_Na";;;;;;;-0.24;;-3.24;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM417498;MM417498;C#CC1=CC(=CCC)C=C1;WJYFYQWGJXFKML-UHFFFAOYSA-N;130.19;2.45;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC3_SC5";;;;;;;3.34;;0.48;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM417499;MM417499;C=CC12C=CC(C)C1C2C;IKMXUAZUKCZGOZ-UHFFFAOYSA-N;134.22;2.63;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC4_SC4";;;;;;;3.53;;0.53;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM417500;MM417500;C#CC(=NO)OCC=CF;VMWJFKOJYOZEPD-UHFFFAOYSA-N;143.12;0.91;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_C4";;;;;;;1.09;;-0.37;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM417501;MM417501;CC1=CN(C=N)CCC1=O;USCNWEXOBAAKLQ-UHFFFAOYSA-N;138.17;0.77;;;;;DOPC;MDCG;27;1;"MARTINI bead: SNd_SP1";;;;;;;0.04;;-5.25;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM417502;MM417502;CC=NN1C(C)C1CNC;RCGFYXRVARAYDU-UHFFFAOYSA-N;141.22;0.28;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1_SN0";;;;;;;0.34;;-3.19;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM417503;MM417503;CC=C(C#N)C(=O)CC#N;JDEKPAUOHRLBLG-UHFFFAOYSA-N;134.14;0.94;;;;;DOPC;MDCG;27;0;"MARTINI bead: N0_Na";;;;;;;1.17;;-1.18;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM417504;MM417504;C#CC1=CC(=CCN)C=C1;HELVSRJNBYZJNB-UHFFFAOYSA-N;131.18;1;;;;;DOPC;MDCG;27;1;"MARTINI bead: SNd_SC5";;;;;;;1.64;;-2.12;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM417505;MM417505;C=CC12C=CC(C)C1C2N;XCQOJSZCDIRTSG-UHFFFAOYSA-N;135.21;1.32;;;;;DOPC;MDCG;27;1;"MARTINI bead: SC4_SNd";;;;;;;2.2;;-1.65;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM417506;MM417506;C=C(C#N)C(=NNC)OC;YUCNMMPTSVCBAW-UHFFFAOYSA-N;139.16;0.25;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_N0";;;;;;;0.34;;-1.53;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM417507;MM417507;CC1=CN(C=O)CCC1=O;GOMPXDGWBVKXSN-UHFFFAOYSA-N;139.15;0.32;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNda_SP1";;;;;;;0.04;;-2.73;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM417508;MM417508;CC=CC1C(C)C1CC#N;JWAJHKCDPXRQJG-UHFFFAOYSA-N;135.21;2.36;;;;;DOPC;MDCG;27;0;"MARTINI bead: C2_SC5";;;;;;;3.6;;0.34;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM417509;MM417509;Cn1nc2oc(=O)cc-2[nH]1;ZWIYGGRJIWQBTC-UHFFFAOYSA-N;139.11;-0.19;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP1_SP1";;;;;;;-0.79;;-7.99;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM417510;MM417510;C#CC1=CC(=CCO)C=C1;CGRKETARFNZKNM-UHFFFAOYSA-N;132.16;1.03;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNda_SC5";;;;;;;1.64;;0.05;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM417511;MM417511;C=CCC(C=O)=CNN=C;YICDKXNWYNFGOO-UHFFFAOYSA-N;138.17;0.85;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_P1";;;;;;;0.81;;-0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM417512;MM417512;C=CC12C=CC(N)C1N2C;MQRNLCFHXWROLE-UHFFFAOYSA-N;136.2;0.12;;;;;DOPC;MDCG;27;1;"MARTINI bead: SNd_SNd";;;;;;;0.87;;-3.73;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM417513;MM417513;C=CCC1C(C=NN)N1C;UOWWFZKHNOXXQH-UHFFFAOYSA-N;139.2;0.19;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNd_P1";;;;;;;0.04;;-2.63;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM417514;MM417514;C=C1CCN(C=N)C=C1F;TVMUQLIVXXBZSF-UHFFFAOYSA-N;140.16;1.67;;;;;DOPC;MDCG;27;1;"MARTINI bead: SNa_SNd";;;;;;;0.87;;-3.58;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM417515;MM417515;N#CCC(=O)C(C=O)=CN;CFOWRFYCGRWSTD-UHFFFAOYSA-N;138.13;-0.49;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_Na";;;;;;;-0.24;;-3.24;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM417516;MM417516;C#CC1=CC(=COC)C=C1;ZBYSEZHHIYFEMI-UHFFFAOYSA-N;132.16;1.65;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC5_SC5";;;;;;;2.41;;0.64;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM417517;MM417517;CC1C=CC2(C#N)C(C)N12;DTPBBKGPICIMPG-UHFFFAOYSA-N;134.18;0.91;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNd_SN0";;;;;;;1.17;;-1.04;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM417518;MM417518;C#CC(=NO)ONC=NN;JKTNSXMJNLOCMV-UHFFFAOYSA-N;142.12;-1.17;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_P1";;;;;;;-0.79;;-3.13;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM417519;MM417519;C=CCC1C(C)N1C=NC;SKYWHURLKVCNQK-UHFFFAOYSA-N;138.21;1.29;;;;;DOPC;MDCG;27;1;"MARTINI bead: SNd_C4";;;;;;;2.2;;-1.59;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM417520;MM417520;C=C1CCN(C=O)C=C1F;IWXDJOSETKHYJP-UHFFFAOYSA-N;141.15;1.22;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNa_SNda";;;;;;;0.87;;-1.99;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM417521;MM417521;CCOC(=NO)C(C)(F)F;GWHFJVVGPNHAEZ-UHFFFAOYSA-N;153.13;1.47;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda_N0";;;;;;;1.17;;-6;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM417522;MM417522;C#Cc1cc(N=NC)c[nH]1;GTCLIBJNFANCLP-UHFFFAOYSA-N;133.15;1.71;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC5_SNd";;;;;;;1.64;;0.02;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM417523;MM417523;C#CC(=NO)ONC=NO;UGTADUQOTLSBQU-UHFFFAOYSA-N;143.1;-0.65;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_P1";;;;;;;-0.79;;-3.13;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM417524;MM417524;C=C1C=CC2(CC)C(C)C12;XHMWOKMRXMYXDS-UHFFFAOYSA-N;134.22;2.77;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC3_SC4";;;;;;;3.9;;0.47;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM417525;MM417525;CC=CC1C(C)N1CC#N;YWNSHEIQOWIUKT-UHFFFAOYSA-N;136.2;1.16;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4_SNd";;;;;;;2.2;;0.32;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM417526;MM417526;C=Cn1nnc(NC)c1N;VZCLJOBSDRABPQ-UHFFFAOYSA-N;139.16;;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP1_SP2";;;;;;;-1.06;;-3.82;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM417527;MM417527;CNc1n[nH]n(O)c1=O;APSWWGGDMWFCHR-UHFFFAOYSA-N;130.11;-1.15;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP1_SP3";;;;;;;-1.93;;-8.96;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM417528;MM417528;C#CC1=CC(=NCC)N=C1;WUMPEEGGKYKJCM-UHFFFAOYSA-N;132.17;1.05;;;;;DOPC;MDCG;27;0;"MARTINI bead: SN0_SN0";;;;;;;1.47;;-0.05;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM417529;MM417529;C=C1C=CC2(CN)C(C)C12;MAJAQQZEJRFSHW-UHFFFAOYSA-N;135.21;1.32;;;;;DOPC;MDCG;27;1;"MARTINI bead: SC4_SNd";;;;;;;2.2;;-1.86;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM417530;MM417530;CC#CCCC(=CC)CC;GHSATVQAGFHAGL-UHFFFAOYSA-N;136.24;3.15;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1_C4";;;;;;;4.24;;0.42;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM417531;MM417531;C#CCC1C(C=CC)N1C;KZTZDQHUDTUJDS-UHFFFAOYSA-N;135.21;1.27;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4_SNd";;;;;;;2.2;;0.33;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM417532;MM417532;C=C1CNN(C=N)C=C1C;HXSXGZOSHBXXAQ-UHFFFAOYSA-N;137.19;0.87;;;;;DOPC;MDCG;27;1;"MARTINI bead: SP2_SP2";;;;;;;-1.34;;-6.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM417533;MM417533;C=CC(=CC)C(=C)NC=N;AFPWETUDAHMGTR-UHFFFAOYSA-N;136.2;1.83;;;;;DOPC;MDCG;27;1;"MARTINI bead: C1_P2";;;;;;;1.8;;-2.16;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM417534;MM417534;CCOC=C(C)OC=NN;HRZAAVUOZYIYAG-UHFFFAOYSA-N;144.17;0.8;;;;;DOPC;MDCG;27;0;"MARTINI bead: C3_P3";;;;;;;0.6;;-0.8;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM417535;MM417535;CCC12C=CC(=O)C1C2C;DZZVPZMOKGRQKF-UHFFFAOYSA-N;136.19;1.79;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC3_SNa";;;;;;;2.57;;0.45;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM417536;MM417536;CC#CCCC(=CF)CC;IMSLSYHOEQLSEY-UHFFFAOYSA-N;140.2;3.05;;;;;DOPC;MDCG;27;0;"MARTINI bead: C2_C4";;;;;;;4.16;;0.44;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM417537;MM417537;C=C1CCN(C=N)N=C1C;AGKJEYCTFMZPEO-UHFFFAOYSA-N;137.19;1.23;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP1_SP1";;;;;;;-0.79;;-3.13;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM417538;MM417538;CC#CC1C(N)C1CCN;MMROPJBLTWKAOP-UHFFFAOYSA-N;138.21;-0.07;;;;;DOPC;MDCG;27;1;"MARTINI bead: C4_SP2";;;;;;;1.09;;-3.22;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM417539;MM417539;C=CC(=CC)C(=C)NC=O;JAVKQHGGGLFXJT-UHFFFAOYSA-N;137.18;1.38;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1_P2";;;;;;;1.8;;0.4;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM417540;MM417540;C#CC1=NC(=NCC)C=C1;VKFHJXGYHHNQLP-UHFFFAOYSA-N;132.17;1.05;;;;;DOPC;MDCG;27;0;"MARTINI bead: SN0_SN0";;;;;;;1.47;;-0.05;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM417541;MM417541;C=C1C=CC2(CC)C(N)C12;RJJKDGHRRRLQQG-UHFFFAOYSA-N;135.21;1.47;;;;;DOPC;MDCG;27;1;"MARTINI bead: SNd_SC4";;;;;;;2.2;;-1.65;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM417542;MM417542;CC#CCCC(=CC)CN;CJRFXMVVWBVCMC-UHFFFAOYSA-N;137.23;1.69;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_C4";;;;;;;2.2;;-1.67;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM417543;MM417543;C=C1CCN(C=O)N=C1C;YHFDGQXVAPZNGO-UHFFFAOYSA-N;138.17;0.78;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP1_SP1";;;;;;;-0.79;;-3.13;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM417544;MM417544;CC#CC1C(N)C1CCO;MMLWEASXQCVNKG-UHFFFAOYSA-N;139.2;-0.03;;;;;DOPC;MDCG;27;1;"MARTINI bead: C4_SP1";;;;;;;1.37;;-1.92;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM417545;MM417545;C=C(NC=O)C(C#N)=CC;IBHJWBRTTKXVEW-UHFFFAOYSA-N;136.15;0.72;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_P1";;;;;;;0.81;;-0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM417546;MM417546;C#Cc1ccc(N=NC)[nH]1;DNXRHCLSLQWIHV-UHFFFAOYSA-N;133.15;1.71;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC5_SNd";;;;;;;1.64;;0.02;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM417547;MM417547;CCC12C=CC(=O)N1C2C;BKOQLLASUVXLCC-UHFFFAOYSA-N;137.18;0.94;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC5_SP2";;;;;;;0.54;;-1.09;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM417548;MM417548;CC#CCCC(=CF)CN;NELRHOZRWILQSW-UHFFFAOYSA-N;141.19;1.6;;;;;DOPC;MDCG;27;1;"MARTINI bead: C4_P1";;;;;;;1.37;;-2.11;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM417549;MM417549;N=c1nc2n(nc1N)CC2;WCVBDWZNEHZHPO-UHFFFAOYSA-N;137.15;-1.1;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP2_SP3";;;;;;;-2.2;;-5.19;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM417550;MM417550;CC#CC1C(C)C1NCC;BZTIAISYPBRTNN-UHFFFAOYSA-N;137.23;1.25;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_SC4";;;;;;;2.2;;-1.84;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM417551;MM417551;C#CC1=NC(=NCC)C=N1;GKITWLWKGRVOQX-UHFFFAOYSA-N;133.15;0.52;;;;;DOPC;MDCG;27;0;"MARTINI bead: SN0_SP1";;;;;;;0.34;;-1.53;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM417552;MM417552;C=C(NC=N)C(C#N)=CF;OTWAJECAJZABGX-UHFFFAOYSA-N;139.13;1.07;;;;;DOPC;MDCG;27;1;"MARTINI bead: C4_P3";;;;;;;0.23;;-3.23;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM417553;MM417553;C=C1C=CC2(C=O)C(C)C12;HIYUNSYULIUXEE-UHFFFAOYSA-N;134.18;1.56;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC4_SNa";;;;;;;2.2;;0.34;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM417554;MM417554;N=c1ncc(=O)onc1N;XYPWRZKQARIMFK-UHFFFAOYSA-N;140.1;-1.51;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP3_SP3";;;;;;;-3.07;;-6.15;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM417555;MM417555;Cn1onnc1=NN;RYQFXMZRIQYOGI-UHFFFAOYSA-N;115.1;-1.82;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP2_SP2";;;;;;;-1.34;;-4.31;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM417556;MM417556;C#Cc1nc(N=NC)c[nH]1;RNHCIOQDDKMZIP-UHFFFAOYSA-N;134.14;1.1;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNda_SNd";;;;;;;0.87;;-1.92;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM417557;MM417557;CC#CC1C(C)N1CCN;VVTDIDKGGCJSSB-UHFFFAOYSA-N;138.21;0.04;;;;;DOPC;MDCG;27;1;"MARTINI bead: C4_SP1";;;;;;;1.37;;-1.91;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM417558;MM417558;C=CC(=CN)C(=N)NC=N;OSRFTVPHARSDLL-UHFFFAOYSA-N;138.17;0.19;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_P4";;;;;;;-1.19;;-6.82;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM417559;MM417559;C=CC12C=CC(=O)C1C2C;FSDGVXBVIFNSFM-UHFFFAOYSA-N;134.18;1.56;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNa_SC4";;;;;;;2.2;;0.34;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM417560;MM417560;CC#CCCC(=CF)CO;IZBXYBVVFGNTBG-UHFFFAOYSA-N;142.17;1.64;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4_Nda";;;;;;;2.2;;0.49;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM417561;MM417561;CC=C1C=C(C)C(C)CC1;WWYXROZBKSJLGL-UHFFFAOYSA-N;136.24;3.31;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC2_SC1";;;;;;;4.87;;0.53;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM417562;MM417562;C#CC1=NC(=NCC)N=C1;OBKZTYBSVQVEBL-UHFFFAOYSA-N;133.15;0.52;;;;;DOPC;MDCG;27;0;"MARTINI bead: SN0_SP1";;;;;;;0.34;;-1.53;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM417563;MM417563;C=CCC1C(N)C1C#CC;FMNKNRSEXUOGLI-UHFFFAOYSA-N;135.21;1.16;;;;;DOPC;MDCG;27;1;"MARTINI bead: C4_SNd";;;;;;;2.2;;-1.7;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM417564;MM417564;CCN=C(CC#N)NOC;AOTAKFWFOJBPQV-UHFFFAOYSA-N;141.17;0.47;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_P2";;;;;;;0.54;;-1.09;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM417565;MM417565;C=C1C=CC2(C=O)C1N2C;UGGAROQCKRIQBJ-UHFFFAOYSA-N;135.17;0.36;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC4_SP1";;;;;;;1.37;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM417566;MM417566;CC#CCCC(=CC)CF;KUVUONDMSKRJNN-UHFFFAOYSA-N;140.2;2.71;;;;;DOPC;MDCG;27;0;"MARTINI bead: C3_C4";;;;;;;3.9;;0.47;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM417567;MM417567;CC=C1C=C(C)C(F)CC1;TVFOPIJPAHPAEM-UHFFFAOYSA-N;140.2;3.01;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC2_SC4";;;;;;;4.16;;0.44;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM417568;MM417568;CC#CC1C(O)C1CC#N;LHOBFROFQFWCIE-UHFFFAOYSA-N;135.17;0.53;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4_SP1";;;;;;;1.37;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM417569;MM417569;C#CC1=CC(=CC=C)C=C1;KOHYCLATWWQUMR-UHFFFAOYSA-N;128.17;2.23;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC3_SC5";;;;;;;3.34;;0.48;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM417570;MM417570;C=CC(=CN)C(=O)NC=O;XHJCDAWIXFPNAK-UHFFFAOYSA-N;140.14;-0.71;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nd_P4";;;;;;;-1.19;;-4.91;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM417571;MM417571;CCC12CCC(C)CC1C2;DIPKYCDZAZNSCU-UHFFFAOYSA-N;138.25;3.22;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC1_SC1";;;;;;;4.95;;0.69;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM417572;MM417572;CC#CCCC(CC)=NN;MJLWEBJLZLOOFT-UHFFFAOYSA-N;138.21;1.51;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_C4";;;;;;;2.97;;0.45;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM417573;MM417573;CN=C1C=C(C)C(C)CN1;KIGJISGUMQDIQO-UHFFFAOYSA-N;138.21;1.2;;;;;DOPC;MDCG;27;1;"MARTINI bead: SNd_SN0";;;;;;;1.17;;-4.84;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM417574;MM417574;CCCC=NNC(=N)OC;LRJHHEROKYHZAK-UHFFFAOYSA-N;143.19;0.94;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_P1";;;;;;;0.81;;-0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM417575;MM417575;C#CC1=CC(=CC=O)C=C1;VBAWHLYQJFPJIX-UHFFFAOYSA-N;130.15;1.24;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNa_SC5";;;;;;;1.64;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM417576;MM417576;C=COC(C=CN)=NNC;BUSWOYDOPGCCJD-UHFFFAOYSA-N;141.17;0.15;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda_P1";;;;;;;0.04;;-2.73;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM417577;MM417577;CC#CCN(C=O)C=NN;HONCJZJUQPJJEL-UHFFFAOYSA-N;139.16;-0.63;;;;;DOPC;MDCG;27;0;"MARTINI bead: N0_P5";;;;;;;-0.81;;-4.41;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM417578;MM417578;CC#CCCC(CC)=NO;ZWIPNYPVNLLWLZ-UHFFFAOYSA-N;139.2;2.03;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda_C4";;;;;;;2.2;;0.49;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM417579;MM417579;CN=C1C=C(N)C(C)CN1;ADNAQMRBKVUANF-UHFFFAOYSA-N;139.2;0.1;;;;;DOPC;MDCG;27;1;"MARTINI bead: SNd_SP1";;;;;;;0.04;;-6.12;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM417580;MM417580;CC=CC1C(C=CC)N1C;JNAHZHJFTWHEEF-UHFFFAOYSA-N;137.23;1.82;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4_SNd";;;;;;;2.2;;0.32;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM417581;MM417581;C#CC1=CC(=CC#N)C=C1;FAJHYQOYDJAZSI-UHFFFAOYSA-N;127.15;1.57;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC5_SC5";;;;;;;2.41;;0.64;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM417582;MM417582;C#CCc1nc(N)c(C)o1;NKRCTNUSJGGUSE-UHFFFAOYSA-N;136.15;0.74;;;;;DOPC;MDCG;27;0;"MARTINI bead: SN0_SNda";;;;;;;1.17;;-1.13;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM417583;MM417583;FCC12CCC(F)CC1C2;RSZXDUNNBGWOMZ-UHFFFAOYSA-N;146.18;2.48;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC4_SC4";;;;;;;3.53;;0.53;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM417584;MM417584;CC#CCCC(=NC)NC;HAFPFSFCKXGCOU-UHFFFAOYSA-N;138.21;1.04;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_C4";;;;;;;2.2;;-3.95;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM417585;MM417585;CC=C1C=C(C)C(C)CO1;IPDCFPIXIXSJFS-UHFFFAOYSA-N;138.21;2.5;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC5_SC5";;;;;;;2.41;;0.64;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM417586;MM417586;CC=CC1C(C=CF)N1C;OOPUKRMWDLNAFA-UHFFFAOYSA-N;141.19;1.73;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNd_C5";;;;;;;1.64;;0.02;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM417587;MM417587;C#CC1=CC(=NN=C)C=C1;OGRMKEIFIVZLIL-UHFFFAOYSA-N;130.15;1.17;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC5_SC5";;;;;;;2.41;;0.64;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM417588;MM417588;CC#Cc1nc(N)c(N)o1;MAOXMXZGOXNZLG-UHFFFAOYSA-N;137.14;0.21;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC5_SP1";;;;;;;0.81;;-0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM417589;MM417589;COC12CCC(N)CC1C2;GHMCGNKEEZZVSQ-UHFFFAOYSA-N;141.21;0.9;;;;;DOPC;MDCG;27;1;"MARTINI bead: SC5_SNd";;;;;;;1.64;;-2.92;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM417590;MM417590;CCNN=c1occ(F)o1;XFOORAWMKGXTOQ-UHFFFAOYSA-N;146.12;0.44;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_SP1";;;;;;;-0.79;;-3.13;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM417591;MM417591;CC=C1C=C(C)C(F)CO1;RQFRMOSPHQFBSD-UHFFFAOYSA-N;142.17;2.2;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC5_SNa";;;;;;;1.64;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM417592;MM417592;CC=CC1C(C)N1N=CC;ULTPUDIICNVYKT-UHFFFAOYSA-N;138.21;1.64;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4_SN0";;;;;;;2.5;;0.44;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM417593;MM417593;C#CC1=CC(=NN=C)C=N1;AFHWVIDLJXOMOM-UHFFFAOYSA-N;131.14;0.64;;;;;DOPC;MDCG;27;0;"MARTINI bead: SN0_SN0";;;;;;;1.47;;-0.05;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM417594;MM417594;C=CC(=NO)C(=N)NC=O;SITCXBHVZLYJJP-UHFFFAOYSA-N;141.13;-0.27;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda_P4";;;;;;;-1.19;;-4.91;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM417595;MM417595;COC12COC(C)CC1C2;GVYRSNXEZOVLDZ-UHFFFAOYSA-N;142.2;1.2;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNa_SC5";;;;;;;1.64;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM417596;MM417596;CC#CCCC(=NO)NO;RMXWZONSWTVGLX-UHFFFAOYSA-N;142.16;0.56;;;;;DOPC;MDCG;27;0;"MARTINI bead: C3_P4";;;;;;;0.52;;-1.59;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM417597;MM417597;OC(C1CC1)C1CC1;PIXLZMHERIHLJL-UHFFFAOYSA-N;112.17;1.17;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNda_SC5";;;;;;;1.64;;0.05;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM417598;MM417598;CC#CC1C(C=CC)N1C;FDTHVHXDJIOTCC-UHFFFAOYSA-N;135.21;1.27;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4_SNd";;;;;;;2.2;;0.32;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM417599;MM417599;C#CC1=CC(=CC=O)N=C1;CNHLDCZKWKWABM-UHFFFAOYSA-N;131.13;0.71;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNa_SN0";;;;;;;1.17;;-1.18;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM417600;MM417600;N=C(NC=O)C(C=O)=NO;CKELTEXTLTVXJW-UHFFFAOYSA-N;143.1;-1.26;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_P4";;;;;;;-2.01;;-5.13;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM417601;MM417601;NC1COC2(CO)CC2C1;YLCHICIWCOCIHQ-UHFFFAOYSA-N;143.19;-0.52;;;;;DOPC;MDCG;27;1;"MARTINI bead: SP1_SNda";;;;;;;0.04;;-5.02;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM417602;MM417602;CC#CCCC(=CC)OC;WNYXBKBSWRQXLZ-UHFFFAOYSA-N;138.21;2.34;;;;;DOPC;MDCG;27;0;"MARTINI bead: C3_C4";;;;;;;3.9;;0.47;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM417603;MM417603;CN=C1CCN(C)C(C)=N1;KOFXRIYJKPNFNJ-UHFFFAOYSA-N;139.2;0.77;;;;;DOPC;MDCG;27;1;"MARTINI bead: SP1_SNd";;;;;;;0.04;;-4.18;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM417604;MM417604;CC#CC1C(C)N1N=CC;GIQZDYNBKIBDPB-UHFFFAOYSA-N;136.2;1.09;;;;;DOPC;MDCG;27;0;"MARTINI bead: SN0_C4";;;;;;;2.5;;0.44;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM417605;MM417605;C#CC1=CC(=CC#N)N=C1;AEXBYWBGBRMUQQ-UHFFFAOYSA-N;128.13;1.04;;;;;DOPC;MDCG;27;0;"MARTINI bead: SN0_SN0";;;;;;;1.47;;-0.05;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM417606;MM417606;NCC12CC1CC(O)CO2;WJGLTYAXIGZCLC-UHFFFAOYSA-N;143.19;-0.52;;;;;DOPC;MDCG;27;1;"MARTINI bead: SP2_SP1";;;;;;;-1.06;;-5.93;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM417607;MM417607;CCN(C=O)N=C(C)NN;RROZYNHSHRMYDD-UHFFFAOYSA-N;144.18;-0.74;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_P2";;;;;;;-1.06;;-3.82;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM417608;MM417608;CC#CCCC(=CF)OC;QLDDZWKBSZBVEB-UHFFFAOYSA-N;142.17;2.25;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_C4";;;;;;;2.97;;0.45;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM417609;MM417609;C=CC1CC(C)(O)C1C;SVFFQALQVJSKAZ-UHFFFAOYSA-N;126.2;1.58;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC4_SNda";;;;;;;2.2;;0.49;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM417610;MM417610;CCCn1c(=N)[nH]oc1=O;NCHMGZKYDXSWOH-UHFFFAOYSA-N;143.15;-0.34;;;;;DOPC;MDCG;27;0;"MARTINI bead: C3_SP2";;;;;;;1.46;;-0.15;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM417611;MM417611;C#CC1=CC(=NC=N)N=C1;AYHCHUGDIGSRMW-UHFFFAOYSA-N;131.14;0.64;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNd_SN0";;;;;;;1.17;;-1.04;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM417612;MM417612;C=CC(=NO)C(=O)NC=N;KYJUVVZBPAWGGK-UHFFFAOYSA-N;141.13;-0.27;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda_P4";;;;;;;-1.19;;-4.91;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM417613;MM417613;NCC12CC1CC(F)CO2;QNFSUJLVQPMOBG-UHFFFAOYSA-N;145.18;0.46;;;;;DOPC;MDCG;27;1;"MARTINI bead: SP2_SNa";;;;;;;-0.24;;-5.35;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM417614;MM417614;Cn1oc(=NN)c(=NN)o1;HDOSOHAKSYXFLZ-UHFFFAOYSA-N;145.12;-2.24;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP1_SP1";;;;;;;-0.79;;-3.13;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM417615;MM417615;C=C1CCC(=CC)C=C1C;AHCVFTKXXAAIHA-UHFFFAOYSA-N;134.22;3.23;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC2_SC1";;;;;;;4.87;;0.53;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM417616;MM417616;N=c1[nH]oc(=O)n1CCN;UZAKOMXAJFMTSX-UHFFFAOYSA-N;144.13;-1.79;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1_SP2";;;;;;;-1.06;;-4.94;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM417617;MM417617;C#CC1=CC(=NC=O)N=C1;ZSUYWAGLPZPVPR-UHFFFAOYSA-N;132.12;0.19;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNa_SN0";;;;;;;1.17;;-1.18;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM417618;MM417618;COC12CCN(C)CC1C2;PKVALKZZXQJUQL-UHFFFAOYSA-N;141.21;0.73;;;;;DOPC;MDCG;27;1;"MARTINI bead: SNa_SNd";;;;;;;0.87;;-4.78;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM417619;MM417619;CC#CCCC(=NO)OC;LKKNHQCFXRYSJZ-UHFFFAOYSA-N;141.17;1.22;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda_C4";;;;;;;2.2;;0.49;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM417620;MM417620;O=C(O)C(=O)NN=CCO;SVERZRQGNXLYSL-UHFFFAOYSA-N;146.1;-1.83;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_P2";;;;;;;-1.34;;-9.04;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM417621;MM417621;C=C1CCC(=CF)C=C1C;QNUZNEGVRLDQCK-UHFFFAOYSA-N;138.19;3.14;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC4_SC1";;;;;;;4.24;;0.42;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM417622;MM417622;CCNn1c(=N)[nH]oc1=O;XJBWWKICBYJXEW-UHFFFAOYSA-N;144.13;-1.19;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_SP2";;;;;;;-1.06;;-3.82;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM417623;MM417623;CC#CCN=C(CC)NC;CTBQRFRFAKGRCV-UHFFFAOYSA-N;138.21;1.04;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_C4";;;;;;;2.2;;-2.4;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM417624;MM417624;C#CC1=CC(=NN=C)N=C1;MOMZFRMKVNLGSH-UHFFFAOYSA-N;131.14;0.64;;;;;DOPC;MDCG;27;0;"MARTINI bead: SN0_SN0";;;;;;;1.47;;-0.05;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM417625;MM417625;CC1CC2NC2(CO)CN1;IWZZNNWUCBPOOI-UHFFFAOYSA-N;142.2;-0.93;;;;;DOPC;MDCG;27;1;"MARTINI bead: SNd_SP2";;;;;;;-0.24;;-4.73;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM417626;MM417626;N=CNC(=O)C(C=O)=NO;IASZTKZEDYQEOS-UHFFFAOYSA-N;143.1;-1.26;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_P4";;;;;;;-2.01;;-5.13;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM417627;MM417627;CC=C1C=C(C)C(=O)CC1;DXFDIIGYKJJNPE-UHFFFAOYSA-N;136.19;2.24;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC2_SC5";;;;;;;3.6;;0.34;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM417628;MM417628;C#CC1=NC(=CC=O)C=C1;GKGQXHXXDDCWFG-UHFFFAOYSA-N;131.13;0.71;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNa_SN0";;;;;;;1.17;;-1.18;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM417629;MM417629;CC#CCN=C(CC)NN;BYYFINVASKYXFA-UHFFFAOYSA-N;139.2;0.28;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1_C4";;;;;;;1.37;;-1.18;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM417630;MM417630;CCNn1c(=O)[nH]oc1=N;KISJUHILJCECNV-UHFFFAOYSA-N;144.13;-1.19;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_SP3";;;;;;;-1.93;;-4.72;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM417631;MM417631;C=C1CCC(O)C(C)C1=C;MWDBZDBYRYXIHL-UHFFFAOYSA-N;138.21;1.89;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNda_SC1";;;;;;;2.91;;0.57;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM417632;MM417632;C=COC(=C)C(C=C)=CF;XEZBRVQEARIKSM-UHFFFAOYSA-N;140.16;2.7;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4_C5";;;;;;;2.97;;0.45;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM417633;MM417633;CC1=CC(=CF)CCC1=O;KZZJNULDBHYFJT-UHFFFAOYSA-N;140.16;2.15;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC4_SC5";;;;;;;2.97;;0.45;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM417634;MM417634;C=CC(C=O)=NNCCC;DRHLKMGHICDJMC-UHFFFAOYSA-N;140.19;0.73;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nd_Na";;;;;;;0.87;;-1.88;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM417635;MM417635;C=CC(F)=CN=CNN=C;BRYNTEZWSAFOAS-UHFFFAOYSA-N;141.15;1.22;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4_P2";;;;;;;1.09;;-0.38;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM417636;MM417636;C#CC1=NC(=CC#N)C=C1;QRRMZPJMFMDMIN-UHFFFAOYSA-N;128.13;1.04;;;;;DOPC;MDCG;27;0;"MARTINI bead: SN0_SN0";;;;;;;1.47;;-0.05;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM417637;MM417637;CCC1=CC(C)C(O)C1C;KGRNBBWQVNRTSX-UHFFFAOYSA-N;140.23;1.97;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC1_SNda";;;;;;;2.91;;0.57;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM417638;MM417638;C=COC(=C)C(C=O)=CC;DGWFDKWAVVSBKF-UHFFFAOYSA-N;138.17;1.81;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_C5";;;;;;;1.64;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM417639;MM417639;C=C1CCC(=CC)C=C1F;IQZVRHUEWAWFMY-UHFFFAOYSA-N;138.19;3.14;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC2_SC4";;;;;;;4.16;;0.44;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM417640;MM417640;CC#CCNC(CN)=NC;HHEHHGUNPHLXIL-UHFFFAOYSA-N;139.2;-0.41;;;;;DOPC;MDCG;27;1;"MARTINI bead: P3_C4";;;;;;;0.23;;-2.7;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM417641;MM417641;C#CC(NN=C)=C(F)C#N;QRHGAZDJPBCNHT-UHFFFAOYSA-N;137.12;0.53;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_P1";;;;;;;0.81;;-0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM417642;MM417642;O=C1CCC2(CF)CC2C1;FSPKAVIWTKRTIN-UHFFFAOYSA-N;142.17;1.72;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC4_SNa";;;;;;;2.2;;0.34;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM417643;MM417643;C#CC1=NC(=NC=N)C=C1;GXKIYKYCYRPADK-UHFFFAOYSA-N;131.14;0.64;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNd_SN0";;;;;;;1.17;;-1.04;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM417644;MM417644;C=C1CCC(=NN)C=C1C;JVVYWEZPTLHLNI-UHFFFAOYSA-N;136.2;1.6;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNd_SC1";;;;;;;2.91;;0.63;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM417645;MM417645;C=COC(=C)C(C#N)=CC;LHHSDQCHQWLEBS-UHFFFAOYSA-N;135.17;2.13;;;;;DOPC;MDCG;27;0;"MARTINI bead: N0_C5";;;;;;;1.94;;0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM417646;MM417646;CC#CCNC(CO)=NC;WEEZRNAYTOKZKF-UHFFFAOYSA-N;140.19;-0.38;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1_N0";;;;;;;0.34;;-3.12;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM417647;MM417647;COC12CCC(=O)CC1C2;ZXXKPTPQKLAWPA-UHFFFAOYSA-N;140.18;1.14;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC5_SNa";;;;;;;1.64;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM417648;MM417648;C#CC1=NC(=NN=C)C=C1;OPQJENNSBWIQNQ-UHFFFAOYSA-N;131.14;0.64;;;;;DOPC;MDCG;27;0;"MARTINI bead: SN0_SN0";;;;;;;1.47;;-0.05;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM417649;MM417649;C=CCn1c(=N)[nH]oc1=O;AVUDVMCQHQKPJW-UHFFFAOYSA-N;141.13;-0.57;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4_SP2";;;;;;;1.09;;-0.38;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM417650;MM417650;C=CC1CC(O)(CC)C1;WJYVBSNUEQNFQG-UHFFFAOYSA-N;126.2;1.72;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNda_SC4";;;;;;;2.2;;0.49;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM417651;MM417651;C=COC(=C)C(C=O)=CN;JUHNHZBTFYJYRS-UHFFFAOYSA-N;139.15;0.7;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_C5";;;;;;;0.54;;-1.09;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM417652;MM417652;CC#CCNC(CF)=NC;UHJNFBMEPBZNNC-UHFFFAOYSA-N;142.18;0.6;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_C4";;;;;;;1.37;;-0.05;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM417653;MM417653;CCC12CNC(=N)CC1C2;HYBBVQJOTMADJY-UHFFFAOYSA-N;138.21;1.37;;;;;DOPC;MDCG;27;1;"MARTINI bead: SC5_SNd";;;;;;;1.64;;-4.87;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM417654;MM417654;C#CC1=NC(=CC=O)C=N1;VKHWZTNINSBKHZ-UHFFFAOYSA-N;132.12;0.19;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP1_SP1";;;;;;;-0.79;;-3.13;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM417655;MM417655;N=c1[nH]oc(=O)n1CC=O;XVDVNQSEBRNHOG-UHFFFAOYSA-N;143.1;-1.55;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP2_Na";;;;;;;-0.24;;-3.24;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM417656;MM417656;CC1=CC(=NO)CCC1=O;DEVBIWAUJTWRBD-UHFFFAOYSA-N;139.15;1.13;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNda_SC5";;;;;;;1.64;;0.05;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM417657;MM417657;C=COC(=C)C(C#N)=CN;OEFPAFMRYDNFRL-UHFFFAOYSA-N;136.15;1.03;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_C5";;;;;;;0.81;;-0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM417658;MM417658;N=C1CC2CC2(CO)CN1;FNEJNGIPFMXUML-UHFFFAOYSA-N;140.19;-0.04;;;;;DOPC;MDCG;27;1;"MARTINI bead: SP1_SNd";;;;;;;0.04;;-7.46;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM417659;MM417659;CCC1=CC(=O)N(N)CC1;UQDZJDLQRGAKOH-UHFFFAOYSA-N;140.19;0.43;;;;;DOPC;MDCG;27;0;"MARTINI bead: SN0_SP1";;;;;;;0.34;;-1.53;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM417660;MM417660;CC(C)=NNC=CC#N;SLJSRIBUKKJLTR-UHFFFAOYSA-N;123.16;1.01;;;;;DOPC;MDCG;27;0;"MARTINI bead: N0_P1";;;;;;;0.34;;-1.53;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM417661;MM417661;C#CC1=NC(=CC#N)C=N1;LPYSPRRRZFIYDF-UHFFFAOYSA-N;129.12;0.51;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP1_SP1";;;;;;;-0.79;;-3.13;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM417662;MM417662;N#CCn1c(=N)[nH]oc1=O;MRYAANZSZFDRMV-UHFFFAOYSA-N;140.1;-1.23;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP2_P1";;;;;;;-1.06;;-3.82;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM417663;MM417663;C=COC(=C)C(C#N)=CF;KIMRUMMXQOQASA-UHFFFAOYSA-N;139.13;2.04;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_C5";;;;;;;1.64;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM417664;MM417664;CCC12CNC(=O)CC1C2;XJNBZGARUQOELV-UHFFFAOYSA-N;139.2;0.92;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC5_SP1";;;;;;;0.81;;-0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM417665;MM417665;NC1=CC(=NO)CCC1=O;GKBLOCGSVRXOHQ-UHFFFAOYSA-N;140.14;0.02;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNda_SNda";;;;;;;0.87;;-2.07;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM417666;MM417666;CCCC1CC(OC)=NN1;IFSAMNBZEJGKSF-UHFFFAOYSA-N;142.2;1.11;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNd_SP1";;;;;;;0.04;;-2.63;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM417667;MM417667;C#CC1=NC(=NC=N)C=N1;KLXRZKQNQIRJER-UHFFFAOYSA-N;132.13;0.11;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP1_SP1";;;;;;;-0.79;;-3.13;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM417668;MM417668;N#CCn1c(=O)[nH]oc1=N;JAILFIBKJGNWHO-UHFFFAOYSA-N;140.1;-1.23;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP3_P1";;;;;;;-1.93;;-4.72;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM417669;MM417669;C=COC(=O)C(C=C)=CN;QUDYOOURFADRKO-UHFFFAOYSA-N;139.15;0.7;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nd_Na";;;;;;;0.87;;-1.88;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM417670;MM417670;NCC12CNC(=O)CC1C2;ZEKQJXAMQNSCSW-UHFFFAOYSA-N;140.19;-0.53;;;;;DOPC;MDCG;27;1;"MARTINI bead: SP1_SP1";;;;;;;-0.79;;-5.19;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM417671;MM417671;C#CC1=NC(=NN=C)C=N1;QEYVGWJXWOESDI-UHFFFAOYSA-N;132.13;0.12;;;;;DOPC;MDCG;27;0;"MARTINI bead: SN0_SP1";;;;;;;0.34;;-1.53;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM417672;MM417672;CC#CCNC(=NC)NC;VCTPJEOYSVHLFI-UHFFFAOYSA-N;139.2;-0.2;;;;;DOPC;MDCG;27;1;"MARTINI bead: P2_C4";;;;;;;1.09;;-4.58;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM417673;MM417673;C=C1CCC(=NN)C=C1F;YKDWDCFEDHLZFG-UHFFFAOYSA-N;140.16;1.5;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNd_SC4";;;;;;;2.2;;0.32;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM417674;MM417674;N#CCn1c(=O)[nH]oc1=O;LHZDLJZODKENPT-UHFFFAOYSA-N;141.09;-1.35;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP2_P1";;;;;;;-1.06;;-3.82;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM417675;MM417675;C=COC(=O)C(C=O)=CC;IRZNVMHBDCGTRU-UHFFFAOYSA-N;140.14;0.82;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_Na";;;;;;;0.87;;-2.22;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM417676;MM417676;CC#CCNC(=NN)NC;RMONYGGHHLSRKH-UHFFFAOYSA-N;140.19;-0.95;;;;;DOPC;MDCG;27;1;"MARTINI bead: P3_C4";;;;;;;0.23;;-3.84;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM417677;MM417677;C#CC1=NC(=CC=O)N=C1;YWRVBJYNUPPXMH-UHFFFAOYSA-N;132.12;0.19;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNa_SP1";;;;;;;0.04;;-2.54;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM417678;MM417678;O=C1CC2CC2(CO)CN1;NOJJVDFBWLBTPU-UHFFFAOYSA-N;141.17;-0.5;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP1_SP1";;;;;;;-0.79;;-3.13;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM417679;MM417679;C=C1CCC(=NO)C=C1F;SFMUCINXMJLNHK-UHFFFAOYSA-N;141.15;2.02;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNda_SC4";;;;;;;2.2;;0.49;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM417680;MM417680;O=CNn1c(=O)[nH]oc1=O;XBADOTQHOLDWRB-UHFFFAOYSA-N;145.07;-2.17;;;;;DOPC;MDCG;27;0;"MARTINI bead: P3_SP2";;;;;;;-2.2;;-5.19;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM417681;MM417681;C=COC(=O)C(C#N)=CC;KFAHQUBCOWNWTH-UHFFFAOYSA-N;137.14;1.14;;;;;DOPC;MDCG;27;0;"MARTINI bead: N0_Na";;;;;;;1.17;;-1.18;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM417682;MM417682;CC#CCNC(=NC)NN;RMONYGGHHLSRKH-UHFFFAOYSA-N;140.19;-0.95;;;;;DOPC;MDCG;27;1;"MARTINI bead: P3_C4";;;;;;;0.23;;-4.54;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM417683;MM417683;C#CC1=NC(=CC#N)N=C1;HMKZGQTYTJVSIH-UHFFFAOYSA-N;129.12;0.51;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP1_SN0";;;;;;;0.34;;-1.53;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM417684;MM417684;O=C1CC2CC2(CF)CN1;ZBZQTJHJYDEQNW-UHFFFAOYSA-N;143.16;0.48;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNa_SP1";;;;;;;0.04;;-2.54;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM417685;MM417685;C=C1CNC(=NC)C=C1C;LRDTVWLLKSACSQ-UHFFFAOYSA-N;136.2;1.12;;;;;DOPC;MDCG;27;1;"MARTINI bead: SNd_SN0";;;;;;;1.17;;-4.12;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM417686;MM417686;CCNN=C(C)OCC#N;ZSQIIVWGSCPNAJ-UHFFFAOYSA-N;141.17;0.47;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_P1";;;;;;;0.81;;-0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM417687;MM417687;C#CCn1c(=N)[nH]oc1=O;QMDNVKBIWDZZEH-UHFFFAOYSA-N;139.11;-1.12;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP2_N0";;;;;;;0.06;;-2.21;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM417688;MM417688;CC#CCNC(=NC)NO;WREAGTKEGVNDSI-UHFFFAOYSA-N;141.17;-0.44;;;;;DOPC;MDCG;27;1;"MARTINI bead: P3_C4";;;;;;;0.23;;-3.19;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM417689;MM417689;C#CC1=NC(=NC=N)N=C1;DBLAEUICJZESMQ-UHFFFAOYSA-N;132.13;0.11;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP1_SP1";;;;;;;-0.79;;-3.13;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM417690;MM417690;CNC12CNC(=N)CC1C2;IKTCYUCVKMAFFZ-UHFFFAOYSA-N;139.2;-0.06;;;;;DOPC;MDCG;27;1;"MARTINI bead: SP1_SNd";;;;;;;0.04;;-7.23;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM417691;MM417691;C=NNC1CC1(C)C#N;QPAUXBKKPWYXPS-UHFFFAOYSA-N;123.16;0.49;;;;;DOPC;MDCG;27;0;"MARTINI bead: SN0_P2";;;;;;;0.06;;-2.21;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM417692;MM417692;C#CCn1c(=O)[nH]oc1=N;SXIMMZRZVNZZGF-UHFFFAOYSA-N;139.11;-1.12;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP3_N0";;;;;;;-0.8;;-2.99;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM417693;MM417693;C=CC(=NN)C(=C)OC=O;XOWXOPYOMMEVEW-UHFFFAOYSA-N;140.14;0.17;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nd_Na";;;;;;;0.87;;-1.88;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM417694;MM417694;CCc1coc(=NNC)o1;VLBQEEDOYRHILR-UHFFFAOYSA-N;142.16;0.47;;;;;DOPC;MDCG;27;0;"MARTINI bead: SN0_P2";;;;;;;0.06;;-2.21;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM417695;MM417695;C=C1CC2CC2(CC)CO1;ZGCMVSLFOFPZNF-UHFFFAOYSA-N;138.21;2.34;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC5_SC5";;;;;;;2.41;;0.64;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM417696;MM417696;C=C1CNC(=NC)C=C1N;RAIDKBISCZWGMV-UHFFFAOYSA-N;137.19;0.02;;;;;DOPC;MDCG;27;1;"MARTINI bead: SNd_SP1";;;;;;;0.04;;-5.44;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM417697;MM417697;C#CC1=NC(=NN=C)N=C1;JYAZZCBRKIEHEG-UHFFFAOYSA-N;132.13;0.12;;;;;DOPC;MDCG;27;0;"MARTINI bead: SN0_SP1";;;;;;;0.34;;-1.53;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM417698;MM417698;NN=c1[nH]c(CO)no1;KEJZWCNODYJFQH-UHFFFAOYSA-N;130.11;-1.73;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP3_SP1";;;;;;;-1.93;;-8.96;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM417699;MM417699;C#CCn1c(=O)[nH]oc1=O;JCWWKMOPOGKQOM-UHFFFAOYSA-N;140.1;-1.24;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP2_N0";;;;;;;0.06;;-2.21;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM417700;MM417700;CC#CCNC(=NO)OC;NEHPUVJPCIXFNX-UHFFFAOYSA-N;142.16;-0.01;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_C4";;;;;;;1.09;;-0.38;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM417701;MM417701;C=C1CC2CC2(CN)CO1;ZCQOXSRKBUJZEM-UHFFFAOYSA-N;139.2;0.89;;;;;DOPC;MDCG;27;1;"MARTINI bead: SNd_SC5";;;;;;;1.64;;-2.32;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM417702;MM417702;Nc1nn(N)c(N)c1N;KTGNNORYCLCUDN-UHFFFAOYSA-N;128.14;-1.66;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP2_SP2";;;;;;;-1.34;;-4.31;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM417703;MM417703;C#CC=C1C=CC(C#C)=C1;WKNJJUYQXQYQQB-UHFFFAOYSA-N;126.16;1.68;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC4_SC5";;;;;;;2.97;;0.45;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM417704;MM417704;CC=Cn1c(=N)[nH]oc1=O;UEGZMGXXWVFAQA-UHFFFAOYSA-N;141.13;-0.26;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4_SP2";;;;;;;1.09;;-0.37;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM417705;MM417705;CCC=NNCC(=O)CC;NDVGDGDDVOBEJE-UHFFFAOYSA-N;142.2;0.95;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nd_Na";;;;;;;0.87;;-1.88;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM417706;MM417706;CC#CCOC(=CC)CC;KCICUAOIWIVTGU-UHFFFAOYSA-N;138.21;2.34;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4_C4";;;;;;;3.53;;0.53;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM417707;MM417707;C=C1CC2CC2(CO)CO1;UWTYKEBDEMCFFO-UHFFFAOYSA-N;140.18;0.92;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNda_SC5";;;;;;;1.64;;0.05;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM417708;MM417708;CNc1cc(=N)c(O)c[nH]1;LEFCCGSPGBOZNP-UHFFFAOYSA-N;139.16;0.24;;;;;DOPC;MDCG;27;1;"MARTINI bead: SNd_SP3";;;;;;;-1.1;;-7.95;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM417709;MM417709;CCCC1=CCC(CC)=C1;AWMSPSDGLRPJFE-UHFFFAOYSA-N;136.24;3.45;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC2_SC3";;;;;;;4.53;;0.32;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM417710;MM417710;CC=Cn1c(=O)[nH]oc1=N;SBCMJJMBCFEHHG-UHFFFAOYSA-N;141.13;-0.26;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4_SP3";;;;;;;0.23;;-1.03;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM417711;MM417711;C=COC(=O)C(C=C)=NO;GCKGCHHFALEPRL-UHFFFAOYSA-N;141.13;0.69;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda_Na";;;;;;;0.87;;-1.99;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM417712;MM417712;CC#CCOC(=CC)CN;PNZZOBAQEDXLBQ-UHFFFAOYSA-N;139.2;0.89;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1_C4";;;;;;;1.37;;-1.39;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM417713;MM417713;C=C1CC2CC2(CF)CO1;LVAAXQJKYUDGFN-UHFFFAOYSA-N;142.17;1.9;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNa_SC5";;;;;;;1.64;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM417714;MM417714;C=C1COC(=CC)C=C1C;LFYOVWTZQHCUBM-UHFFFAOYSA-N;136.19;2.42;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC5_SC5";;;;;;;2.41;;0.64;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM417715;MM417715;CCC1=CC(CCN)=CC1;MIBOGICBVUEDCL-UHFFFAOYSA-N;137.23;2;;;;;DOPC;MDCG;27;1;"MARTINI bead: SC3_SNd";;;;;;;2.57;;-1.47;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM417716;MM417716;CC=Cn1c(=O)[nH]oc1=O;SWSLKOGYYIUDGN-UHFFFAOYSA-N;142.11;-0.38;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4_SP2";;;;;;;1.09;;-0.38;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM417717;MM417717;C#CCC(=C)C(C=C)=CC;DLHIACAGYGABEI-UHFFFAOYSA-N;132.21;2.7;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1_N0";;;;;;;3.21;;0.46;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM417718;MM417718;CC#CCOC(=CF)CN;SDMJQBCARGTLLA-UHFFFAOYSA-N;143.16;0.8;;;;;DOPC;MDCG;27;1;"MARTINI bead: C4_P2";;;;;;;1.09;;-1.7;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM417719;MM417719;CCC12COC(=O)CC1C2;HRXFQNHKHHLVJH-UHFFFAOYSA-N;140.18;1.35;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC5_SNa";;;;;;;1.64;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM417720;MM417720;CCCC1=CCC(CN)=C1;IZJKALWQVQJMKK-UHFFFAOYSA-N;137.23;2;;;;;DOPC;MDCG;27;1;"MARTINI bead: SC2_SNd";;;;;;;2.83;;-0.22;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM417721;MM417721;CNc1cc(C)c(=O)[nH]n1;CHMVMOPYKNKXOW-UHFFFAOYSA-N;139.16;0.12;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP1_SP3";;;;;;;-1.93;;-4.72;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM417722;MM417722;C=NNCC(CC)C(C)=O;QAEXOKFCFMVSBG-UHFFFAOYSA-N;142.2;0.81;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_P1";;;;;;;0.81;;-0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM417723;MM417723;C#CCC(=C)C(C=C)=CF;PSWIUERIFVZMDB-UHFFFAOYSA-N;136.17;2.61;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1_N0";;;;;;;3.21;;0.46;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM417724;MM417724;NCCC1=CCC(CN)=C1;YZDXNVHEXHPXEF-UHFFFAOYSA-N;138.21;0.55;;;;;DOPC;MDCG;27;1;"MARTINI bead: SNd_SNd";;;;;;;0.87;;-4.98;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM417725;MM417725;NCC12COC(=O)CC1C2;QPCCUVKJTCTPQG-UHFFFAOYSA-N;141.17;-0.1;;;;;DOPC;MDCG;27;1;"MARTINI bead: SNd_SNa";;;;;;;0.87;;-4.31;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM417726;MM417726;CC#CCOC(=CC)CO;SHBVGRFHCVPQKK-UHFFFAOYSA-N;140.18;0.92;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_C4";;;;;;;1.37;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM417727;MM417727;Cc1cc(NO)n[nH]c1=O;PWNVOZWQPQWWDJ-UHFFFAOYSA-N;141.13;-0.12;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP1_SP3";;;;;;;-1.93;;-4.72;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM417728;MM417728;C#CC(CC)N=CNN=C;IIUQYRVGVYTUER-UHFFFAOYSA-N;137.19;0.63;;;;;DOPC;MDCG;27;0;"MARTINI bead: C3_P2";;;;;;;1.46;;-0.15;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM417729;MM417729;C#CCC(=C)C(C=O)=CN;HREIZLVGRPJLQK-UHFFFAOYSA-N;135.17;0.61;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_C5";;;;;;;0.54;;-1.09;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM417730;MM417730;O=C1CC2CC2(CO)CO1;PVLPCADJLPLPBM-UHFFFAOYSA-N;142.15;-0.07;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNda_SNa";;;;;;;0.87;;-1.99;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM417731;MM417731;CC#CCOC(=CF)CO;XPIFNJUBPWUSSC-UHFFFAOYSA-N;144.15;0.83;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4_P2";;;;;;;1.09;;-0.38;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM417732;MM417732;CCCC1=CCC(CO)=C1;DMJYFMUOPNSSGX-UHFFFAOYSA-N;138.21;2.04;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC2_SNda";;;;;;;2.83;;0.57;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM417733;MM417733;CNc1cc(N)c(=O)[nH]n1;XYLMCWYFGVCSAZ-UHFFFAOYSA-N;140.15;-0.61;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP1_SP3";;;;;;;-1.93;;-4.72;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM417734;MM417734;CCC=NN=C(CC)NC;PEIOEVZZETWNJR-UHFFFAOYSA-N;141.22;1.41;;;;;DOPC;MDCG;27;0;"MARTINI bead: N0_Nd";;;;;;;1.17;;-1.04;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM417735;MM417735;C#CCC(=C)C(C#N)=CN;WKCFKQOFQKCEBC-UHFFFAOYSA-N;132.17;0.93;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_C5";;;;;;;0.81;;-0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM417736;MM417736;CC#CCOC(=CC)CF;QZGMPHFICAYJTI-UHFFFAOYSA-N;142.17;1.9;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_C4";;;;;;;2.2;;0.34;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM417737;MM417737;NCCC1=CCC(CO)=C1;WSOFQXDCWXKEDL-UHFFFAOYSA-N;139.2;0.58;;;;;DOPC;MDCG;27;1;"MARTINI bead: SNd_SNda";;;;;;;0.87;;-4.67;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM417738;MM417738;C=C1CC2CC2(NC)CO1;HLNMUCOMTOUOTF-UHFFFAOYSA-N;139.2;0.9;;;;;DOPC;MDCG;27;1;"MARTINI bead: SNd_SC5";;;;;;;1.64;;-2.03;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM417739;MM417739;CN=Cn1c(=N)[nH]oc1=O;PYDNUHOLYAGDEG-UHFFFAOYSA-N;142.12;-1.24;;;;;DOPC;MDCG;27;0;"MARTINI bead: N0_SP2";;;;;;;0.06;;-2.21;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM417740;MM417740;CC1=NNC(CC#N)C1;GEMAUNJKTLJGGX-UHFFFAOYSA-N;123.16;0.64;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP1_SNd";;;;;;;0.04;;-2.63;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM417741;MM417741;C#CCC(=O)C(C#N)=CN;MXAPNERYNFYZQW-UHFFFAOYSA-N;134.14;-0.06;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_Na";;;;;;;0.04;;-2.54;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM417742;MM417742;CCCC1=CCC(CF)=C1;UQDQIDXQBLBTIP-UHFFFAOYSA-N;140.2;3.01;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC2_SC5";;;;;;;3.6;;0.34;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM417743;MM417743;C=Cc1coc(=NNC)o1;NNLNYVMOUVXRAQ-UHFFFAOYSA-N;140.14;0.55;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_SP1";;;;;;;-1.06;;-3.82;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM417744;MM417744;CNC12COC(=O)CC1C2;FERQLGDEHDNTPW-UHFFFAOYSA-N;141.17;-0.09;;;;;DOPC;MDCG;27;1;"MARTINI bead: SNd_SNa";;;;;;;0.87;;-3.61;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM417745;MM417745;CN=Cn1c(=O)[nH]oc1=N;MDDNMSUPDMSPKP-UHFFFAOYSA-N;142.12;-1.24;;;;;DOPC;MDCG;27;0;"MARTINI bead: N0_SP3";;;;;;;-0.8;;-2.99;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM417746;MM417746;CNc1cc(F)c(=O)[nH]n1;IZMVESWTTVQJNF-UHFFFAOYSA-N;143.12;-0.05;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNda_SP2";;;;;;;-0.24;;-3.31;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM417747;MM417747;C#CC(=CC)C(=C)CCN;CWAHCZUDOXISNE-UHFFFAOYSA-N;135.21;1.47;;;;;DOPC;MDCG;27;1;"MARTINI bead: C3_P1";;;;;;;1.74;;-2.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM417748;MM417748;NCCC1=CCC(CF)=C1;NLMGSELCGMTLCK-UHFFFAOYSA-N;141.19;1.56;;;;;DOPC;MDCG;27;1;"MARTINI bead: SNd_SC5";;;;;;;1.64;;-2.65;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM417749;MM417749;CC#CCOC(CC)=NO;GKJLZTISCHMESI-UHFFFAOYSA-N;141.17;1.22;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_C4";;;;;;;1.37;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM417750;MM417750;COC12COC(=O)CC1C2;IRSVMIODGKVYDV-UHFFFAOYSA-N;142.15;0.34;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNa_SNa";;;;;;;0.87;;-2.22;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM417751;MM417751;CN=Cn1c(=O)[nH]oc1=O;FGXYQVABMMLQFN-UHFFFAOYSA-N;143.1;-1.36;;;;;DOPC;MDCG;27;0;"MARTINI bead: N0_SP2";;;;;;;0.06;;-2.21;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM417752;MM417752;C=CCC1=NC(=CO)N=N1;KNBHOKOJNUEMPL-UHFFFAOYSA-N;137.14;1.78;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNda_SN0";;;;;;;1.17;;-6.21;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM417753;MM417753;CCCNN=CC(F)CF;BQTODBCQWFBJFE-UHFFFAOYSA-N;150.17;1.28;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nd_Na";;;;;;;0.87;;-1.88;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM417754;MM417754;CCC1=CC(CNC)=CC1;YQKMYDLDHVYSHK-UHFFFAOYSA-N;137.23;1.87;;;;;DOPC;MDCG;27;1;"MARTINI bead: SC3_SNd";;;;;;;2.57;;-1.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM417755;MM417755;C=C1CNC2(CN)CC2C1;PBCTXGYTGVJWES-UHFFFAOYSA-N;138.21;0.25;;;;;DOPC;MDCG;27;1;"MARTINI bead: SP2_SN0";;;;;;;0.06;;-4.36;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM417756;MM417756;CNN=c1occ(C=O)o1;UTUSOBNLOIAABG-UHFFFAOYSA-N;142.11;-0.28;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_SP2";;;;;;;-1.34;;-4.31;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM417757;MM417757;C=CC(C=C)=NN=CCF;YWLRBKCJZTVMBQ-UHFFFAOYSA-N;140.16;1.75;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_C2";;;;;;;2;;0.29;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM417758;MM417758;NN=c1nc(F)on1N;UXQPBKDFNBYFIX-UHFFFAOYSA-N;133.09;-1.9;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP3_SNa";;;;;;;-1.1;;-4.2;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM417759;MM417759;CNCC1=CCC(CN)=C1;SVGNMBHLXJXGAG-UHFFFAOYSA-N;138.21;0.42;;;;;DOPC;MDCG;27;1;"MARTINI bead: SNd_SNd";;;;;;;0.87;;-4.7;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM417760;MM417760;C#CC(=CC)C(=C)CCF;PYDKTMLXOGVPAB-UHFFFAOYSA-N;138.19;2.48;;;;;DOPC;MDCG;27;0;"MARTINI bead: C3_C5";;;;;;;3.34;;0.48;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM417761;MM417761;C=C1COC2(CN)CC2C1;BNCFGQGYGJYHNP-UHFFFAOYSA-N;139.2;0.68;;;;;DOPC;MDCG;27;1;"MARTINI bead: SP2_SN0";;;;;;;0.06;;-4.32;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM417762;MM417762;CC=Nn1c(=N)[nH]oc1=O;XKVPLLHCZNCIPO-UHFFFAOYSA-N;142.12;-0.9;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_SP2";;;;;;;-1.06;;-3.82;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM417763;MM417763;CC#CCOC(=NC)NC;DKPXUDNFFDHNQZ-UHFFFAOYSA-N;140.19;0.23;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1_C4";;;;;;;1.37;;-1.26;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM417764;MM417764;Cn1nnc(=NN)n1N;XCORHNMAGJSCSO-UHFFFAOYSA-N;129.13;-2.9;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP3_SP3";;;;;;;-3.07;;-6.15;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM417765;MM417765;CNCC1=CCC(CF)=C1;DSMMOYLBYCMQSG-UHFFFAOYSA-N;141.19;1.43;;;;;DOPC;MDCG;27;1;"MARTINI bead: SNd_SC5";;;;;;;1.64;;-2.23;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM417766;MM417766;C#CC(=CN)C(=O)CCO;ONOVFEJMQQSLLY-UHFFFAOYSA-N;139.15;-0.59;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_P1";;;;;;;-0.79;;-3.13;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM417767;MM417767;C=C1CCC2(CF)NC2C1;WKVGGQKOTDSZEI-UHFFFAOYSA-N;141.19;1.41;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNda_SC3";;;;;;;2.57;;0.47;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM417768;MM417768;CCN=c1c(F)con1C;DGDWOFMVGBOFIX-UHFFFAOYSA-N;144.15;0.68;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNa_SN0";;;;;;;1.17;;-1.18;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM417769;MM417769;CC#CCOC(=NO)NC;HTZPGNVHNFTPFU-UHFFFAOYSA-N;142.16;-0.01;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_N0";;;;;;;0.34;;-1.53;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM417770;MM417770;Oc1n[nH]nc1F;XZNXAJLSTRARJN-UHFFFAOYSA-N;103.06;-0.35;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP2_SP1";;;;;;;-1.06;;-8.68;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM417771;MM417771;CCCC1=CCC(OC)=C1;KQKAPBNYYCLLBR-UHFFFAOYSA-N;138.21;2.65;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC2_SC5";;;;;;;3.6;;0.34;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM417772;MM417772;C#CC(=CF)C(=O)CCF;GPHKDIXGOMEURS-UHFFFAOYSA-N;144.12;1.4;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_C5";;;;;;;0.81;;-0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM417773;MM417773;C#CC12CC1C(=O)C(=N)N2;QRDUMRJSMBEHPX-UHFFFAOYSA-N;134.14;-0.47;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNd_SP2";;;;;;;-0.24;;-3.16;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM417774;MM417774;N=C1CC2NC2(CN)CN1;LAEXEZCWHCSKDM-UHFFFAOYSA-N;140.19;-1.37;;;;;DOPC;MDCG;27;1;"MARTINI bead: SP3_SNd";;;;;;;-1.1;;-7.94;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM417775;MM417775;NN=Cc1noc(=NN)o1;FXWGMBPUAABQCH-UHFFFAOYSA-N;143.11;-1.67;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_SP2";;;;;;;-1.06;;-3.82;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM417776;MM417776;N#CCC(F)(F)C=NO;ANZBGCZZWCMCPU-UHFFFAOYSA-N;134.09;1;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_N0";;;;;;;0.34;;-6.57;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM417777;MM417777;C#CC(=CC)C(=C)CNC;IBIYKIXFULBUCS-UHFFFAOYSA-N;135.21;1.34;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1_C3";;;;;;;1.74;;-1.57;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM417778;MM417778;COC1=CC(CCN)=CC1;AGJOOGIFEGJUIQ-UHFFFAOYSA-N;139.2;1.2;;;;;DOPC;MDCG;27;1;"MARTINI bead: SC5_SNd";;;;;;;1.64;;-2.65;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM417779;MM417779;N=C1CC2NC2(CF)CN1;BDSBFZCZQFUMGF-UHFFFAOYSA-N;143.17;-0.36;;;;;DOPC;MDCG;27;1;"MARTINI bead: SP2_SNd";;;;;;;-0.24;;-7.35;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM417780;MM417780;CON=c1c(C)con1C;ZQGRUVZBAVOSFQ-UHFFFAOYSA-N;142.16;0.39;;;;;DOPC;MDCG;27;0;"MARTINI bead: SN0_SNa";;;;;;;1.17;;-1.18;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM417781;MM417781;C=NN=C1C=NC(NC)=N1;XWBSAIOXEZLKBM-UHFFFAOYSA-N;137.15;-0.34;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP1_SN0";;;;;;;0.34;;-1.53;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM417782;MM417782;C=C1C(=N)NN=C1C#N;CTOFOGJZXUNDLR-UHFFFAOYSA-N;120.12;;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP1_SP1";;;;;;;-0.79;;-3.13;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM417783;MM417783;C#CC(=NN)C(=C)CCF;YVSZPUVHQMEYQC-UHFFFAOYSA-N;140.16;0.85;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_C5";;;;;;;0.81;;-0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM417784;MM417784;CNCC1=CCC(OC)=C1;VNQSSWTWNPZMMJ-UHFFFAOYSA-N;139.2;1.07;;;;;DOPC;MDCG;27;1;"MARTINI bead: SNd_SC5";;;;;;;1.64;;-2.23;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM417785;MM417785;C=C1CC2NC2(CN)CO1;DOVKESYTTBIERQ-UHFFFAOYSA-N;140.19;-0.41;;;;;DOPC;MDCG;27;1;"MARTINI bead: SP2_SC5";;;;;;;0.54;;-3;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM417786;MM417786;CON=c1c(N)con1C;VAFLFJMYBJOXLU-UHFFFAOYSA-N;143.15;-0.34;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP1_SNa";;;;;;;0.04;;-2.54;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM417787;MM417787;C#CCC1=CC(=NN)CC1;BRDKSGHZNDJWSC-UHFFFAOYSA-N;134.18;1.04;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNd_SC4";;;;;;;2.2;;0.32;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM417788;MM417788;CCN(C=O)C=NNC;YFVDFUJXYKWKSD-UHFFFAOYSA-N;129.16;-0.37;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_P3";;;;;;;-0.33;;-2.01;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM417789;MM417789;C#CC(=NO)C(=C)CCO;VUGQLVSBEYHVFC-UHFFFAOYSA-N;139.15;0.39;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_Nda";;;;;;;0.04;;-2.73;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM417790;MM417790;CCC12COC(=O)CC1N2;BMRMTRWNWBXTCY-UHFFFAOYSA-N;141.17;0.05;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNd_SNa";;;;;;;0.87;;-1.88;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM417791;MM417791;CON=c1c(C)con1N;UZSHWJVSQWYAAQ-UHFFFAOYSA-N;143.15;-0.43;;;;;DOPC;MDCG;27;0;"MARTINI bead: SN0_SP1";;;;;;;0.34;;-1.53;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM417792;MM417792;CCOC1=CCC(CC)=C1;DIUCIVFJSBPDHQ-UHFFFAOYSA-N;138.21;2.65;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC5_SC3";;;;;;;3.34;;0.48;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM417793;MM417793;CNc1nnc(C#N)n1C;OBOHDARNYRXTEU-UHFFFAOYSA-N;137.15;-0.27;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP1_SP1";;;;;;;-0.79;;-3.13;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM417794;MM417794;NC=NOC(=NN)C(=O)O;QZTFHQLGUQSVRB-UHFFFAOYSA-N;146.11;-1.74;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_P1";;;;;;;-1.06;;-8.68;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM417795;MM417795;C#CC(=NO)C(=C)CCF;RBLLPIWGYDELNR-UHFFFAOYSA-N;141.15;1.37;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_C5";;;;;;;0.81;;-0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM417796;MM417796;CCOC1=CCC(CN)=C1;WMPUSDUDGKOXQB-UHFFFAOYSA-N;139.2;1.2;;;;;DOPC;MDCG;27;1;"MARTINI bead: SC5_SNd";;;;;;;1.64;;-2.12;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM417797;MM417797;C=CC(=NN)N(C=N)C=O;SWCVMHRCLGPLBS-UHFFFAOYSA-N;140.15;-0.49;;;;;DOPC;MDCG;27;0;"MARTINI bead: N0_P3";;;;;;;-0.8;;-2.99;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM417798;MM417798;CON=c1c(N)con1N;GGKYEBLISVZYKO-UHFFFAOYSA-N;144.13;-1.16;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP1_SP1";;;;;;;-0.79;;-3.13;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM417799;MM417799;CC#CCOC(=NO)NO;HXNMMXSXDKTFEV-UHFFFAOYSA-N;144.13;-0.25;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4_P3";;;;;;;0.23;;-1.03;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM417800;MM417800;CC(O)C(=CN)C(=O)O;NUXAVEXSAFXKNR-UHFFFAOYSA-N;131.13;-0.71;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_P1";;;;;;;-0.79;;-8.19;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM417801;MM417801;C#CC(=CC)C(=N)NCC;VSGXHWRQYYKXRI-UHFFFAOYSA-N;136.2;1.15;;;;;DOPC;MDCG;27;1;"MARTINI bead: P2_C4";;;;;;;1.09;;-3.84;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM417802;MM417802;CCOC1=CCC(CO)=C1;RCTYCZSOOOZOPP-UHFFFAOYSA-N;140.18;1.23;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC5_SNda";;;;;;;1.64;;0.05;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM417804;MM417804;C#CC1=NCC(C#N)N1C;QDRNJBNQVJVTHP-UHFFFAOYSA-N;133.15;-0.14;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP1_SNd";;;;;;;0.04;;-2.63;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM417803;MM417803;N=C1CC2OC2(CO)CN1;CDOSAFALHFPPBM-UHFFFAOYSA-N;142.16;-0.91;;;;;DOPC;MDCG;27;1;"MARTINI bead: SP2_SNd";;;;;;;-0.24;;-6.86;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM417805;MM417805;C#CC(C=O)N1CC1C#C;YIFBZULISFJQJR-UHFFFAOYSA-N;133.15;-0.5;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_SP3";;;;;;;-2.2;;-5.19;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM417806;MM417806;N=c1c(=O)n(O)[nH]n1N;YTVGAXIHXWUCLZ-UHFFFAOYSA-N;131.1;-2.59;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP3_SP3";;;;;;;-3.07;;-10.23;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM417807;MM417807;C#CC(=CF)C(=N)NCC;QGHFPWWKGCRVJG-UHFFFAOYSA-N;140.16;1.06;;;;;DOPC;MDCG;27;1;"MARTINI bead: P2_C5";;;;;;;0.54;;-3.13;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM417808;MM417808;CCOC1=CCC(CF)=C1;CHODAYUXRHHWJD-UHFFFAOYSA-N;142.17;2.21;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC5_SC5";;;;;;;2.41;;0.64;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM417809;MM417809;CON=c1c(N)con1O;UDJGFTOZAADQCL-UHFFFAOYSA-N;145.12;-0.64;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP1_SP1";;;;;;;-0.79;;-3.13;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM417810;MM417810;CCC12CNC(=O)CC1O2;VDBDERYRAGMCNE-UHFFFAOYSA-N;141.17;0.05;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNa_SP1";;;;;;;0.04;;-2.54;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM417811;MM417811;CC#CCOC(=NO)OC;FDFBODWEKOFPBB-UHFFFAOYSA-N;143.14;0.42;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_C4";;;;;;;1.09;;-0.37;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM417812;MM417812;CCC1C=CC(N)C(C)=C1;AMNOBYSUXRLLTO-UHFFFAOYSA-N;137.23;1.86;;;;;DOPC;MDCG;27;1;"MARTINI bead: SC2_SNd";;;;;;;2.83;;0.01;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM417813;MM417813;C#CC(=CC)C(=O)NCC;VPLKCCDBNJDLOS-UHFFFAOYSA-N;137.18;0.7;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_C4";;;;;;;1.37;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM417814;MM417814;CCOC1=CCC(OC)=C1;FCSHQXOSRUDTDO-UHFFFAOYSA-N;140.18;1.84;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC5_SC5";;;;;;;2.41;;0.64;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM417815;MM417815;Cn1occ(N)c1=NC=N;NKFLUMXWAGNGNP-UHFFFAOYSA-N;140.15;-0.29;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP2_SP1";;;;;;;-1.06;;-3.82;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM417816;MM417816;NCC12CNC(=O)CC1O2;YPISABJNIAWMHY-UHFFFAOYSA-N;142.16;-1.4;;;;;DOPC;MDCG;27;1;"MARTINI bead: SP2_SP1";;;;;;;-1.06;;-5.43;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM417817;MM417817;C=CC(=CC)CCC#CC;HARVMXCIWAHMJU-UHFFFAOYSA-N;134.22;2.92;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1_C4";;;;;;;4.24;;0.42;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM417818;MM417818;C=NN=CC=CNN=C;PSVKQDWBXUNPIL-UHFFFAOYSA-N;124.15;0.39;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nd_N0";;;;;;;1.17;;-1.04;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM417819;MM417819;C#CC(=CF)C(=O)NCC;XNIGAJABRWGUPL-UHFFFAOYSA-N;141.15;0.61;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_C5";;;;;;;0.81;;-0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM417820;MM417820;CCCc1c[nH]c(CC)c1;GDOIDUDTFDIHEA-UHFFFAOYSA-N;137.23;2.53;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC4_SC5";;;;;;;2.97;;0.45;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM417821;MM417821;Cn1occ(N)c1=NC=O;LZDVPEZJKJJLQE-UHFFFAOYSA-N;141.13;-0.74;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP1_SP1";;;;;;;-0.79;;-3.13;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM417822;MM417822;O=C1CC2OC2(CO)CN1;RMUFSATUWUWWII-UHFFFAOYSA-N;143.14;-1.36;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP2_SP1";;;;;;;-1.06;;-3.82;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM417823;MM417823;C=CC(=CF)CCC#CC;QVWJFSDZVODXDL-UHFFFAOYSA-N;138.19;2.83;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4_C2";;;;;;;4.16;;0.44;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM417824;MM417824;CC1=CN(C=N)C=CC1N;PUXMQGKWYICSPS-UHFFFAOYSA-N;137.19;0.65;;;;;DOPC;MDCG;27;1;"MARTINI bead: SNd_SP2";;;;;;;-0.24;;-6.03;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM417825;MM417825;C#CC(=CN)C(=N)NNC;KWEPBZAXAPXDSU-UHFFFAOYSA-N;138.17;-0.84;;;;;DOPC;MDCG;27;1;"MARTINI bead: P4_P1";;;;;;;-2.01;;-6.98;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM417826;MM417826;CCc1cc(CCN)c[nH]1;VDLQMANLDYZDTO-UHFFFAOYSA-N;138.21;1.08;;;;;DOPC;MDCG;27;1;"MARTINI bead: SC5_SNd";;;;;;;1.64;;-2.27;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM417827;MM417827;C=C1CC2OC2(CO)CO1;OFZUWIYYLRUZDV-UHFFFAOYSA-N;142.15;0.05;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP1_SC5";;;;;;;0.81;;-0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM417828;MM417828;Cc1con(N)c1=NC=O;OHRALKAUYXVYRE-UHFFFAOYSA-N;141.13;-0.84;;;;;DOPC;MDCG;27;0;"MARTINI bead: SN0_SP2";;;;;;;0.06;;-2.21;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM417829;MM417829;CC1=CN(C=O)C=CC1N;FEPCWOXDZHFXJU-UHFFFAOYSA-N;138.17;0.2;;;;;DOPC;MDCG;27;1;"MARTINI bead: SNda_SP2";;;;;;;-0.24;;-4.78;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM417830;MM417830;CC#CCCC(C=O)=CC;FXDCTOHNZCCOEV-UHFFFAOYSA-N;136.19;1.94;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_C4";;;;;;;2.2;;0.34;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM417831;MM417831;C=CCNN=CC(F)CF;AZSGKFRHOIZYHI-UHFFFAOYSA-N;148.16;1.06;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_Nd";;;;;;;0.87;;-1.88;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM417832;MM417832;CCCc1c[nH]c(CN)c1;MKOMEBOIVPYTTI-UHFFFAOYSA-N;138.21;1.43;;;;;DOPC;MDCG;27;1;"MARTINI bead: SC4_SP1";;;;;;;1.37;;-1.37;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM417833;MM417833;C=CC12COC(=C)CC1C2;FDIWTASZTLKACF-UHFFFAOYSA-N;136.19;2.11;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC5_SC5";;;;;;;2.41;;0.64;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM417834;MM417834;C#CCC1=NNC(=N)C1=C;FNFYJPBSRCWQKM-UHFFFAOYSA-N;133.15;0.5;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP1_SP1";;;;;;;-0.79;;-3.13;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM417835;MM417835;CC#CCCC(C#N)=CC;HDDALRGBNLOSHX-UHFFFAOYSA-N;133.19;2.26;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_C4";;;;;;;2.97;;0.45;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM417836;MM417836;CC1=CN(C=O)N=CC1O;MFMRAWDCTJZTGM-UHFFFAOYSA-N;140.14;-0.29;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP1_SP1";;;;;;;-0.79;;-3.13;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM417837;MM417837;O=CCNC1CC1(F)CF;VNVKWNFYQAOCFV-UHFFFAOYSA-N;149.14;0.23;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNa_P2";;;;;;;-0.24;;-3.24;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM417838;MM417838;C=CC12COC(=O)CC1C2;GLDTZYDZGPPPPW-UHFFFAOYSA-N;138.17;1.13;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC5_SNa";;;;;;;1.64;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM417839;MM417839;NCCc1c[nH]c(CN)c1;LYIPROOCGSXRJO-UHFFFAOYSA-N;139.2;-0.03;;;;;DOPC;MDCG;27;1;"MARTINI bead: SNd_SP1";;;;;;;0.04;;-5.03;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM417840;MM417840;Cc1con(O)c1=NC=O;UZTGUVNZEGVZEV-UHFFFAOYSA-N;142.11;-0.32;;;;;DOPC;MDCG;27;0;"MARTINI bead: SN0_SP2";;;;;;;0.06;;-2.21;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM417841;MM417841;CC#CCCC(C=O)=CN;SMXYVAJJGLKWDP-UHFFFAOYSA-N;137.18;0.83;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4_P1";;;;;;;1.37;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM417842;MM417842;CCn1nnc(=O)c(F)n1;GRPVHIINHKESCC-UHFFFAOYSA-N;144.11;-0.81;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP1_SP2";;;;;;;-1.06;;-3.82;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM417843;MM417843;C=CC12CC1CC(=C)CN2;PCFQHMCKJISQKO-UHFFFAOYSA-N;135.21;1.48;;;;;DOPC;MDCG;27;1;"MARTINI bead: SNd_SN0";;;;;;;1.17;;-2.39;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM417844;MM417844;NN=CC(=NN)N(N)C=O;NKGVJZCMMIFZOD-UHFFFAOYSA-N;144.14;-2.46;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_P4";;;;;;;-2.29;;-5.95;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM417845;MM417845;CCCc1c[nH]c(CO)c1;KJWPUABZTTXIAN-UHFFFAOYSA-N;139.2;1.46;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC4_SNda";;;;;;;2.2;;0.49;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM417846;MM417846;C=NN=c1c(C)con1C;KSGWDPFTZIGLMD-UHFFFAOYSA-N;139.16;0.44;;;;;DOPC;MDCG;27;0;"MARTINI bead: SN0_SN0";;;;;;;1.47;;-0.05;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM417847;MM417847;CC#CCCC(C#N)=CN;DSPMYWKQKPCIQF-UHFFFAOYSA-N;134.18;1.16;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4_P1";;;;;;;1.37;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM417848;MM417848;C=Cn1nnc(=N)c(F)n1;VFSZNEZFPKHQGT-UHFFFAOYSA-N;141.11;-0.61;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP2_SP1";;;;;;;-1.06;;-3.82;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM417849;MM417849;C=CC12CCC(=C)OC1C2;VUXUXPUCWHPAOZ-UHFFFAOYSA-N;136.19;2.26;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC5_SC5";;;;;;;2.41;;0.64;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM417850;MM417850;C#CC(=NN)C(=O)NNC;FAUFDQMESHHGPG-UHFFFAOYSA-N;140.15;-1.82;;;;;DOPC;MDCG;27;0;"MARTINI bead: P4_P1";;;;;;;-2.01;;-5.13;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM417851;MM417851;NCCc1c[nH]c(CO)c1;DXXZPEGTXTXOQJ-UHFFFAOYSA-N;140.19;0.01;;;;;DOPC;MDCG;27;1;"MARTINI bead: SNd_SNda";;;;;;;0.87;;-4.27;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM417852;MM417852;C=NN=c1c(C)con1N;OMOFHRVVDDQNFE-UHFFFAOYSA-N;140.15;-0.38;;;;;DOPC;MDCG;27;0;"MARTINI bead: SN0_SNd";;;;;;;1.17;;-1.04;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM417853;MM417853;CC#CCCC(C=O)=CF;HMOYXVXTOXQWKO-UHFFFAOYSA-N;140.16;1.84;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4_Na";;;;;;;2.2;;0.34;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM417854;MM417854;C=Cn1nnc(=O)c(F)n1;XFMFHQSDINFHBK-UHFFFAOYSA-N;142.09;-0.73;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP1_SP2";;;;;;;-1.06;;-3.82;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM417855;MM417855;N=C1CC2NC2(C=O)CN1;LHYGRFIBZYIBMS-UHFFFAOYSA-N;139.16;-1.13;;;;;DOPC;MDCG;27;1;"MARTINI bead: SNd_SP2";;;;;;;-0.24;;-7.26;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM417856;MM417856;C=NN=c1c(N)con1N;JRQSXIYXZQORLO-UHFFFAOYSA-N;141.13;-1.11;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP1_SNd";;;;;;;0.04;;-2.63;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM417857;MM417857;C#CC(=NO)C(=O)NNC;PEFHAOKITUBWQF-UHFFFAOYSA-N;141.13;-1.3;;;;;DOPC;MDCG;27;0;"MARTINI bead: P4_P1";;;;;;;-2.01;;-5.13;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM417858;MM417858;CCCc1c[nH]c(CF)c1;NJDZTMZEDSPMKE-UHFFFAOYSA-N;141.19;2.44;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC4_SNda";;;;;;;2.2;;0.49;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM417859;MM417859;CC#CCCC(C#N)=CF;WOITXLUELQEPRL-UHFFFAOYSA-N;137.16;2.17;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4_Na";;;;;;;2.2;;0.34;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM417860;MM417860;Cc1ccc(NN)cc1F;PNRQXRHFMKMXGX-UHFFFAOYSA-N;140.16;1.42;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNd_SC4";;;;;;;2.2;;0.32;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM417861;MM417861;CC=NNCC(C#N)CC;YDYJTSMKGZWELW-UHFFFAOYSA-N;139.2;1.13;;;;;DOPC;MDCG;27;0;"MARTINI bead: N0_Nd";;;;;;;1.17;;-1.04;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM417862;MM417862;C=NN=CNC=CCC#N;VCMZMMLGQLKFCT-UHFFFAOYSA-N;136.16;0.65;;;;;DOPC;MDCG;27;0;"MARTINI bead: N0_Nd";;;;;;;1.17;;-1.04;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM417863;MM417863;C#CC(=CC)C(=C)OCC;XYOLAQDOWKDUQJ-UHFFFAOYSA-N;136.19;2.12;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_C4";;;;;;;2.97;;0.45;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM417864;MM417864;NCCc1c[nH]c(CF)c1;CAZPHIWHHVUZHT-UHFFFAOYSA-N;142.18;0.99;;;;;DOPC;MDCG;27;1;"MARTINI bead: SNd_SNda";;;;;;;0.87;;-4.27;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM417865;MM417865;CN=c1cc(C)n(C)cn1;WOMCHKIXFLCJDC-UHFFFAOYSA-N;137.19;0.26;;;;;DOPC;MDCG;27;1;"MARTINI bead: SP1_SP1";;;;;;;-0.79;;-5.56;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM417866;MM417866;C=CC(CCC#CC)=NN;DSUWHWBUWCEYNT-UHFFFAOYSA-N;136.2;1.29;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4_C5";;;;;;;2.97;;0.45;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM417867;MM417867;NCC12C=CC(N)CC1C2;UJWJSCNUGIKBHW-UHFFFAOYSA-N;138.21;0.24;;;;;DOPC;MDCG;27;1;"MARTINI bead: SNd_SNd";;;;;;;0.87;;-4.88;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM417868;MM417868;C#CC(=CF)C(=C)OCC;RKMZIIRWNHMIRT-UHFFFAOYSA-N;140.16;2.02;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_C5";;;;;;;2.41;;0.64;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM417869;MM417869;CC(C)n1ccncc1=N;HQIQUAFFMQILIM-UHFFFAOYSA-N;137.19;0.94;;;;;DOPC;MDCG;27;1;"MARTINI bead: SP1_SP1";;;;;;;-0.79;;-5.2;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM417870;MM417870;CNCc1c[nH]c(CN)c1;WWECBGBTISDRIE-UHFFFAOYSA-N;139.2;0.19;;;;;DOPC;MDCG;27;1;"MARTINI bead: SNd_SP1";;;;;;;0.04;;-4.67;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM417871;MM417871;Cc1cc(=NN)ncn1C;IVSGNNOSMKNOLO-UHFFFAOYSA-N;138.17;-0.5;;;;;DOPC;MDCG;27;1;"MARTINI bead: SP1_SP2";;;;;;;-1.06;;-5.83;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM417872;MM417872;C=CC(CCC#CC)=NO;KRINBYZVFSKXAS-UHFFFAOYSA-N;137.18;1.81;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4_Nda";;;;;;;2.2;;0.49;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM417873;MM417873;C#CC(=CC)C(=O)OCC;XZFMCJWDMQOINL-UHFFFAOYSA-N;138.17;1.13;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_C4";;;;;;;2.2;;0.34;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM417874;MM417874;C=NN1CCN(C)C(=O)C1;BHSMJYJYFUEYKW-UHFFFAOYSA-N;141.17;-0.62;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP2_SP1";;;;;;;-1.06;;-3.82;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM417875;MM417875;CC(C)n1ccncc1=O;MEJIGHZPRMKCHW-UHFFFAOYSA-N;138.17;0.82;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP1_SP1";;;;;;;-0.79;;-3.13;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM417876;MM417876;C=COC=C(C)OC=NN;UUERYSFSCUSELG-UHFFFAOYSA-N;142.16;0.93;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda_Na";;;;;;;0.87;;-1.99;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM417877;MM417877;CN=c1cc(C)n(N)cn1;XAYQTOKNUGZJQP-UHFFFAOYSA-N;138.17;-0.56;;;;;DOPC;MDCG;27;1;"MARTINI bead: SP1_SP2";;;;;;;-1.06;;-5.21;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM417878;MM417878;Nn1nnc(O)c1F;BGTHNQNIZRCJDD-UHFFFAOYSA-N;118.07;-1.16;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP1_SP2";;;;;;;-1.06;;-8.45;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM417879;MM417879;C#CC(=CF)C(=O)OCC;XFCLHIDGMVYTSH-UHFFFAOYSA-N;142.13;1.04;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_C5";;;;;;;1.64;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM417880;MM417880;NCC12C=CC(O)CC1C2;IWBQWPTYSLCBET-UHFFFAOYSA-N;139.2;0.27;;;;;DOPC;MDCG;27;1;"MARTINI bead: SNd_SNda";;;;;;;0.87;;-4.36;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM417881;MM417881;CC(C)n1cnncc1=O;WHUHTNRUPMHDTK-UHFFFAOYSA-N;139.16;0.22;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP2_SP2";;;;;;;-1.34;;-4.31;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM417882;MM417882;Cc1cc(=NO)ncn1O;HBHUUWNGQOELKG-UHFFFAOYSA-N;141.13;-0.28;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP1_SP3";;;;;;;-1.93;;-4.72;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM417883;MM417883;CNc1cc(CCN)c[nH]1;SQLSWFOOJXXTII-UHFFFAOYSA-N;139.2;0.56;;;;;DOPC;MDCG;27;1;"MARTINI bead: SNd_SNd";;;;;;;0.87;;-4.5;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM417884;MM417884;C=CC(=NC)NCC#CC;WGNWQNYLAJIPFC-UHFFFAOYSA-N;136.2;0.81;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_C4";;;;;;;2.2;;-2.11;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM417885;MM417885;CCC12C=CC(F)CC1C2;UZPTZRXLZLKGTR-UHFFFAOYSA-N;140.2;2.7;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC3_SC4";;;;;;;3.9;;0.47;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM417886;MM417886;C#CC(=NN)C(=C)OCC;UWPAGTCEPAMMJI-UHFFFAOYSA-N;138.17;0.48;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_P1";;;;;;;0.81;;-0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM417887;MM417887;CC(C)n1ncccc1=O;VZWZDYSMVHQTHD-UHFFFAOYSA-N;138.17;0.82;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNa_SP1";;;;;;;0.04;;-2.54;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM417888;MM417888;CN=c1cc(N)n(C)cn1;BMCCCNBTAZCRIR-UHFFFAOYSA-N;138.17;-0.47;;;;;DOPC;MDCG;27;1;"MARTINI bead: SP1_SP1";;;;;;;-0.79;;-6.25;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM417889;MM417889;CNCc1c[nH]c(NC)c1;CPSFROXXUOPBMZ-UHFFFAOYSA-N;139.2;0.78;;;;;DOPC;MDCG;27;1;"MARTINI bead: SNd_SNd";;;;;;;0.87;;-4.15;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM417890;MM417890;CCN1C(C)C1C(=O)C=O;REDKVYLNHJOPGT-UHFFFAOYSA-N;141.17;-0.15;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNd_Na";;;;;;;0.87;;-1.88;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM417891;MM417891;NCC12C=CC(F)CC1C2;STOBKHNGXZTIRA-UHFFFAOYSA-N;141.19;1.25;;;;;DOPC;MDCG;27;1;"MARTINI bead: SNd_SC4";;;;;;;2.2;;-1.87;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM417892;MM417892;C#CC(=NO)C(=C)OCC;JMQUFLCMIXFSOE-UHFFFAOYSA-N;139.15;1;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_P1";;;;;;;0.81;;-0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM417893;MM417893;CC(C)n1ncncc1=N;CRDCVBLMUQPCQO-UHFFFAOYSA-N;138.17;0.34;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP2_SP2";;;;;;;-1.34;;-4.31;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM417894;MM417894;CN=c1cc(N)n(N)cn1;JLFWNPDRQCOEQO-UHFFFAOYSA-N;139.16;-1.29;;;;;DOPC;MDCG;27;1;"MARTINI bead: SP1_SP2";;;;;;;-1.06;;-6.12;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM417895;MM417895;CCCc1c[nH]c(OC)c1;MHPCXPZIQHYFIW-UHFFFAOYSA-N;139.2;1.98;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC4_SNda";;;;;;;2.2;;0.49;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM417896;MM417896;C#CC#CCNC=NN=C;UIZYAMMQYQULMV-UHFFFAOYSA-N;133.15;-0.14;;;;;DOPC;MDCG;27;0;"MARTINI bead: N0_Nd";;;;;;;1.17;;-1.04;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM417897;MM417897;C#CC(=CC)C(=C)CC=C;LFZVDYADFGUYMH-UHFFFAOYSA-N;132.21;2.7;;;;;DOPC;MDCG;27;0;"MARTINI bead: C3_C4";;;;;;;3.9;;0.47;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM417898;MM417898;CNC12C=CC(O)CC1C2;VKAIUBXOGGNSLC-UHFFFAOYSA-N;139.2;0.29;;;;;DOPC;MDCG;27;1;"MARTINI bead: SNd_SNda";;;;;;;0.87;;-3.77;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM417899;MM417899;CC(C)n1ncncc1=O;UGDBVFZGVZMRNZ-UHFFFAOYSA-N;139.16;0.22;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP2_SP2";;;;;;;-1.34;;-4.31;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM417900;MM417900;COc1cc(CCN)c[nH]1;NQVZPVGIHRDZDC-UHFFFAOYSA-N;140.19;0.52;;;;;DOPC;MDCG;27;1;"MARTINI bead: SNda_SNd";;;;;;;0.87;;-4.25;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM417901;MM417901;NN=c1cc(N)n(N)cn1;BFUYKZXLULIGGA-UHFFFAOYSA-N;140.15;-2.05;;;;;DOPC;MDCG;27;1;"MARTINI bead: SP1_SP3";;;;;;;-1.93;;-6.6;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM417902;MM417902;C#CC(=CC)C(=C)CC#N;UEJIXXYNXFCWNL-UHFFFAOYSA-N;131.18;2.04;;;;;DOPC;MDCG;27;0;"MARTINI bead: C3_P1";;;;;;;1.74;;0.29;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM417903;MM417903;CCC12C=CC(C)NC1C2;WPKNFEYTHTXBJB-UHFFFAOYSA-N;137.23;1.7;;;;;DOPC;MDCG;27;1;"MARTINI bead: SC3_SNd";;;;;;;2.57;;-0.84;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM417904;MM417904;CC#CCN=C(C#N)NO;JXNNQJIIRAEGDL-UHFFFAOYSA-N;137.14;-0.09;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4_P3";;;;;;;0.23;;-1.03;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM417905;MM417905;CC(C)n1nnncc1=N;CNFBVINSLHZQIF-UHFFFAOYSA-N;139.16;-0.27;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP2_SP2";;;;;;;-1.34;;-4.31;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM417906;MM417906;CNCc1c[nH]c(OC)c1;NMYJGGPCZDJFBC-UHFFFAOYSA-N;140.19;0.74;;;;;DOPC;MDCG;27;1;"MARTINI bead: SNd_SNda";;;;;;;0.87;;-3.72;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM417907;MM417907;NN=c1ocnoc1=O;IFQPJCUVCVSEFJ-UHFFFAOYSA-N;129.08;-1.6;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP2_SP2";;;;;;;-1.34;;-4.31;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM417908;MM417908;C=CC(=CC)OCC#CC;QQPHXYRPXVDTNN-UHFFFAOYSA-N;136.19;2.12;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_C4";;;;;;;2.97;;0.45;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM417909;MM417909;C#CC(=CC)C(=O)CC=C;JBRQNGOZFRKOKI-UHFFFAOYSA-N;134.18;1.71;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_C4";;;;;;;2.2;;0.34;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM417910;MM417910;CN1CC2CC2(CN)C=N1;NPPUPNOZZNAMOM-UHFFFAOYSA-N;139.2;-0.12;;;;;DOPC;MDCG;27;1;"MARTINI bead: SN0_SP1";;;;;;;0.34;;-3.97;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM417911;MM417911;CC(C)n1nnncc1=O;UDBIPZAESBQPQY-UHFFFAOYSA-N;140.15;-0.39;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP2_SP2";;;;;;;-1.34;;-4.31;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM417912;MM417912;CC(=COC=O)OC=NN;LBQFACUCPLAAGM-UHFFFAOYSA-N;144.13;-0.06;;;;;DOPC;MDCG;27;0;"MARTINI bead: N0_P1";;;;;;;0.34;;-1.53;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM417913;MM417913;Nc1cc(=NO)ncn1O;YKYXPFUBWSRPOB-UHFFFAOYSA-N;142.12;-1.01;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP1_SP3";;;;;;;-1.93;;-4.72;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM417914;MM417914;C=CC(=CF)OCC#CC;MZTIHJJTUHJLKV-UHFFFAOYSA-N;140.16;2.02;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4_Na";;;;;;;2.2;;0.34;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM417915;MM417915;C#CC(=NO)C(=C)CC#N;WYZULDPIZIZHSA-UHFFFAOYSA-N;134.14;0.92;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_N0";;;;;;;0.34;;-1.53;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM417916;MM417916;C=CC1=CCC(C)C(O)C1;DWEUKKVTIBROJF-UHFFFAOYSA-N;138.21;1.89;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC1_SN0";;;;;;;3.21;;0.46;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM417917;MM417917;CN(C)n1ccncc1=O;RRRDKQQOKUNARJ-UHFFFAOYSA-N;139.16;-0.56;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP3_SP1";;;;;;;-1.93;;-4.72;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM417918;MM417918;CCNc1c[nH]c(CN)c1;KBXMHIFUDFKFFP-UHFFFAOYSA-N;139.2;0.91;;;;;DOPC;MDCG;27;1;"MARTINI bead: SC5_SP1";;;;;;;0.81;;-1.85;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM417919;MM417919;CN=c1cc(F)n(C)cn1;VLIKABIUZPGLOX-UHFFFAOYSA-N;141.15;0.09;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNa_SP1";;;;;;;0.04;;-2.54;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM417920;MM417920;CC#CCOC(C=O)=CC;MWNWUIUBUYHTMJ-UHFFFAOYSA-N;138.17;1.13;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_C4";;;;;;;1.37;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM417921;MM417921;C#CC(=CC)C(=C)NC=O;DJKGNYVYQPRYTM-UHFFFAOYSA-N;135.17;0.83;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4_P2";;;;;;;1.09;;-0.38;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM417922;MM417922;CC#CC1COC(NC)=N1;FGZCGNHHICGUTD-UHFFFAOYSA-N;138.17;-0.02;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP1_SN0";;;;;;;0.34;;-1.53;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM417923;MM417923;CN(C)n1cnncc1=N;LKLYZUNURWDTMU-UHFFFAOYSA-N;139.16;-1.04;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP2_SP2";;;;;;;-1.34;;-4.31;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM417924;MM417924;CC(=CC=NN)OC=NN;ZHWYCSHKVNWPOI-UHFFFAOYSA-N;142.16;-0.25;;;;;DOPC;MDCG;27;0;"MARTINI bead: N0_P1";;;;;;;0.34;;-1.53;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM417925;MM417925;CN=c1cc(F)n(N)cn1;ZEYPVQQXTIMFCM-UHFFFAOYSA-N;142.14;-0.73;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNa_SP2";;;;;;;-0.24;;-3.24;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM417926;MM417926;CC#CCOC(C#N)=CC;TYZRVZVXGIODFK-UHFFFAOYSA-N;135.17;1.45;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_C4";;;;;;;2.2;;0.34;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM417927;MM417927;C#CC(=CF)C(=C)NC=O;WZSSCPQWFGKLLD-UHFFFAOYSA-N;139.13;0.73;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_P2";;;;;;;0.54;;-1.09;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM417928;MM417928;CC1CCC(C)(O)C1;LLIFEWZQIYEVKX-UHFFFAOYSA-N;114.19;1.56;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC3_SNda";;;;;;;2.57;;0.44;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM417929;MM417929;C=CC1CC1(C)OC=NN;UIJUEBDMHANSDG-UHFFFAOYSA-N;140.19;0.87;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC4_Nda";;;;;;;2.2;;0.49;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM417930;MM417930;CN(C)n1ncccc1=O;LIIKUMSIAOLCFS-UHFFFAOYSA-N;139.16;-0.56;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP2_SP1";;;;;;;-1.06;;-3.82;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM417931;MM417931;NN=c1nncnn1N;QZXPYGXYZFOYLS-UHFFFAOYSA-N;127.11;-2.84;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP5_SP3";;;;;;;-3.08;;-7.6;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM417932;MM417932;CC#CCOC(C#N)=CN;IMONBBVVULIKKT-UHFFFAOYSA-N;136.15;0.35;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4_P2";;;;;;;1.09;;-0.38;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM417933;MM417933;C#CC(=CC)C(=N)NC=N;RPCDFOGRMIQNNP-UHFFFAOYSA-N;135.17;0.74;;;;;DOPC;MDCG;27;1;"MARTINI bead: C4_P4";;;;;;;0.15;;-3.6;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM417934;MM417934;CCC12C=NN(C)CC1N2;LGZWIHUGWLZEFQ-UHFFFAOYSA-N;139.2;0.04;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNd_SN0";;;;;;;1.17;;-1.04;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM417935;MM417935;C#CCCC(C)C(O)CC;LDJRIAKZLQCVMV-UHFFFAOYSA-N;140.23;1.81;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda_C1";;;;;;;2.91;;0.57;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM417936;MM417936;CN(C)n1ncncc1=N;KODBTBVWWBGKRS-UHFFFAOYSA-N;139.16;-1.04;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP2_SP2";;;;;;;-1.34;;-4.31;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM417937;MM417937;C=NNC1C(C)C1C#N;YFKZWPIQRPYDCD-UHFFFAOYSA-N;123.16;0.35;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_SN0";;;;;;;0.06;;-2.21;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM417938;MM417938;CC#CCOC(C=O)=CF;HKUFROUIWWRQCJ-UHFFFAOYSA-N;142.13;1.04;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4_P1";;;;;;;1.37;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM417939;MM417939;C#CC(=CC)C(=N)NC=O;KGDSBXSDQFRZMS-UHFFFAOYSA-N;136.15;0.29;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4_P4";;;;;;;0.15;;-2.18;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM417940;MM417940;CCC12C=CC(F)CC1O2;MUTRFVSAVNHYQB-UHFFFAOYSA-N;142.17;1.83;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNa_SC4";;;;;;;2.2;;0.34;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM417941;MM417941;COC(C)C(C)OC=NN;CLYMQZLSULVIDH-UHFFFAOYSA-N;146.19;0.33;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_Nda";;;;;;;0.87;;-1.99;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM417942;MM417942;CN(C)n1ncncc1=O;VLHNRBYNIUGHBJ-UHFFFAOYSA-N;140.15;-1.16;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP3_SP2";;;;;;;-2.2;;-5.19;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM417943;MM417943;C=CCC(=C)CC(C)(C)O;NDNBTOLRVWKTAA-UHFFFAOYSA-N;140.23;2.28;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda_C1";;;;;;;2.91;;0.57;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM417944;MM417944;CC#CCOC(C#N)=CF;CCYVQFQGDYYDTR-UHFFFAOYSA-N;139.13;1.36;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4_Na";;;;;;;2.2;;0.34;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM417945;MM417945;C#CC(=CN)C(=N)NC=C;MJQWXCULPBRMLR-UHFFFAOYSA-N;135.17;0.17;;;;;DOPC;MDCG;27;1;"MARTINI bead: P2_Nd";;;;;;;-0.24;;-6.17;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM417946;MM417946;NCC12C=CC(F)CC1O2;QMMZQDVPIFSWLD-UHFFFAOYSA-N;143.16;0.38;;;;;DOPC;MDCG;27;1;"MARTINI bead: SP2_SC4";;;;;;;1.09;;-2.33;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM417947;MM417947;CN(C)n1nnncc1=N;XNUMEMLFMPSSHK-UHFFFAOYSA-N;140.15;-1.65;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP2_SP2";;;;;;;-1.34;;-4.31;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM417948;MM417948;CCOc1c[nH]c(CC)c1;AYJFRNSLSUDTKI-UHFFFAOYSA-N;139.2;1.98;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNa_SC5";;;;;;;1.64;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM417949;MM417949;CN=c1cc(C)n(C)nn1;WTCOYTAMOWUTCJ-UHFFFAOYSA-N;138.17;-0.35;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP1_SP2";;;;;;;-1.06;;-3.82;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM417950;MM417950;C#CC(=CC)CCC#CC;QYDSOLJBBGTPRL-UHFFFAOYSA-N;132.21;2.37;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4_C4";;;;;;;3.53;;0.53;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM417951;MM417951;C#CC(=CN)C(=N)NC=O;BUFCONZIMVRHSO-UHFFFAOYSA-N;137.14;-0.81;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_P2";;;;;;;-1.34;;-4.31;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM417952;MM417952;C=C(C)n1ccncc1=N;MBEDGXUFHUDZCH-UHFFFAOYSA-N;135.17;0.85;;;;;DOPC;MDCG;27;1;"MARTINI bead: SNd_SP1";;;;;;;0.04;;-4.23;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM417953;MM417953;CCC12C=NN(C)CC1O2;YFZRNWHJAZIZSR-UHFFFAOYSA-N;140.19;0.47;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNa_SN0";;;;;;;1.17;;-1.18;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM417954;MM417954;CCOc1c[nH]c(CN)c1;ORPTWTPGLLVHLH-UHFFFAOYSA-N;140.19;0.87;;;;;DOPC;MDCG;27;1;"MARTINI bead: SNa_SP1";;;;;;;0.04;;-3.8;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM417955;MM417955;C=CC=C(C)CC(C)(C)O;BWAXYFNZWCGCAL-UHFFFAOYSA-N;140.23;2.28;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1_Nda";;;;;;;2.91;;0.57;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM417956;MM417956;C#CC(=CF)CCC#CC;COAHVSPWQRDMRD-UHFFFAOYSA-N;136.17;2.28;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4_C5";;;;;;;2.97;;0.45;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM417957;MM417957;C#CC(=CF)C(=N)NC=C;LSKFQRBWYGEYIB-UHFFFAOYSA-N;138.15;1.18;;;;;DOPC;MDCG;27;1;"MARTINI bead: C5_P2";;;;;;;0.54;;-2.79;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM417958;MM417958;CC(=O)n1ccncc1=N;ZTKPAPIXYCCTEJ-UHFFFAOYSA-N;137.14;0.02;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP2_SP1";;;;;;;-1.06;;-3.82;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM417959;MM417959;C=CC12C=CC(N)CC1C2;NHUKTEBJZGTKOI-UHFFFAOYSA-N;135.21;1.47;;;;;DOPC;MDCG;27;1;"MARTINI bead: SNd_SC3";;;;;;;2.57;;-1.2;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM417960;MM417960;C=CC(F)C(C)OC=NN;KZMJQHDPQOPWJN-UHFFFAOYSA-N;146.17;0.82;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda_Na";;;;;;;0.87;;-1.99;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM417961;MM417961;Cc1cc(=NO)nnn1O;CRGMCTWKAFFTBN-UHFFFAOYSA-N;142.12;-0.89;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP1_SP3";;;;;;;-1.93;;-4.72;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM417962;MM417962;C#CC(CCC#CC)=NN;FDTZXMWHXZDUEF-UHFFFAOYSA-N;134.18;0.74;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4_Nd";;;;;;;2.2;;0.32;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM417963;MM417963;C#CC(=CF)C(=N)NC=O;OAIFFTGTBCJTJI-UHFFFAOYSA-N;140.12;0.2;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_P2";;;;;;;-0.24;;-3.24;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM417964;MM417964;CC1CC1C(C)(C)O;POMVYOSXDSAQPU-UHFFFAOYSA-N;114.19;1.41;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC5_Nda";;;;;;;1.64;;0.05;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM417965;MM417965;N=C(N)n1ccncc1=N;OBTHSXUIVUUWEP-UHFFFAOYSA-N;137.15;-0.9;;;;;DOPC;MDCG;27;1;"MARTINI bead: SP3_SP1";;;;;;;-1.93;;-7.07;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM417966;MM417966;CCOc1c[nH]c(OC)c1;QYHUQWRUDKHYMK-UHFFFAOYSA-N;141.17;1.42;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNa_SNda";;;;;;;0.87;;-1.99;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM417967;MM417967;CN=c1cc(N)n(C)nn1;QZHMHVMJTFRWDC-UHFFFAOYSA-N;139.16;-1.07;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP2_SP2";;;;;;;-1.34;;-4.31;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM417968;MM417968;C#CC(CCC#CC)=NO;SRSXNLQJBPZRJQ-UHFFFAOYSA-N;135.17;1.25;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4_Nda";;;;;;;2.2;;0.49;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM417969;MM417969;C#CC(=CC)C(=O)NC=O;NJTKXGPZHKJJAC-UHFFFAOYSA-N;137.14;-0.16;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4_P4";;;;;;;0.15;;-2.18;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM417970;MM417970;N#CC12C=CC(F)CC1C2;QMZJXVSHAARTFX-UHFFFAOYSA-N;137.16;1.81;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC4_SC5";;;;;;;2.97;;0.45;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM417971;MM417971;C#CC=NNC=NC=CF;HCOSOQAVCCMOTR-UHFFFAOYSA-N;139.13;0.66;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_Nd";;;;;;;1.64;;0.02;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM417972;MM417972;CCCc1coc(CC)c1;WWKRGXPHJRQAOD-UHFFFAOYSA-N;138.21;2.79;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC3_SC4";;;;;;;3.9;;0.47;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM417973;MM417973;CC(=CC=O)CC(C)(C)O;RFSBOYWBGWFBCD-UHFFFAOYSA-N;142.2;1.29;;;;;DOPC;MDCG;27;0;"MARTINI bead: N0_Nda";;;;;;;1.17;;-1.13;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM417974;MM417974;C#CC(=CF)C(=O)NC=C;ZAFITESVCSNTDM-UHFFFAOYSA-N;139.13;0.73;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_P2";;;;;;;0.54;;-1.09;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM417975;MM417975;C=CC12C=NN(C)CC1C2;QFSPDLBJQUZWCY-UHFFFAOYSA-N;136.2;1.11;;;;;DOPC;MDCG;27;0;"MARTINI bead: SN0_SN0";;;;;;;1.47;;-0.05;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM417976;MM417976;CC#CC=NNC=CC=O;WGYLSHFMZQOQKJ-UHFFFAOYSA-N;136.15;0.3;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4_P2";;;;;;;1.09;;-0.38;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM417977;MM417977;C#CC(C)(F)C(C#N)=NO;AEADYABCGSOIMV-UHFFFAOYSA-N;140.12;0.7;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_P2";;;;;;;0.54;;-6.26;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM417978;MM417978;CCc1cc(CCN)co1;PIFHUKZDQICGRE-UHFFFAOYSA-N;139.2;1.34;;;;;DOPC;MDCG;27;1;"MARTINI bead: SC4_SNd";;;;;;;2.2;;-1.67;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM417979;MM417979;Cn1nnc(=NO)cc1N;HCRYEDAZBHPOSS-UHFFFAOYSA-N;141.13;-1.31;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP2_SP3";;;;;;;-2.2;;-5.19;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM417980;MM417980;C=NNCC(C#N)=C(N)N;ZQSUEYUUCKFBLR-UHFFFAOYSA-N;139.16;-1.16;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_P2";;;;;;;-1.06;;-3.82;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM417981;MM417981;CN1CC2CC2(C=O)C=N1;TVPMEIFUHJMTST-UHFFFAOYSA-N;138.17;0.12;;;;;DOPC;MDCG;27;0;"MARTINI bead: SN0_SP1";;;;;;;0.34;;-1.53;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM417982;MM417982;C#CC(=CC)OCC#CC;ZBHIEINBPGRIRA-UHFFFAOYSA-N;134.18;1.56;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_C4";;;;;;;2.2;;0.34;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM417983;MM417983;C=C(C)n1ccncc1=O;LKCPJRSXBZRAQY-UHFFFAOYSA-N;136.15;0.73;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP1_SP1";;;;;;;-0.79;;-3.13;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM417984;MM417984;NCCc1coc(CN)c1;POOPSXDLVSOOOE-UHFFFAOYSA-N;140.19;0.24;;;;;DOPC;MDCG;27;1;"MARTINI bead: SNd_SP1";;;;;;;0.04;;-4.86;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM417985;MM417985;C#CC(=CF)C(=O)NN=C;QMXVQTOWTVPQQZ-UHFFFAOYSA-N;140.12;0.2;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_P2";;;;;;;0.54;;-1.09;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM417986;MM417986;CN=c1cc(N)n(N)nn1;RTNLFDWHFPROHW-UHFFFAOYSA-N;140.15;-1.9;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP2_SP2";;;;;;;-1.34;;-4.31;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM417987;MM417987;CN1CC2CC2(C#N)C=N1;VADXVDVJHKNIRL-UHFFFAOYSA-N;135.17;0.45;;;;;DOPC;MDCG;27;0;"MARTINI bead: SN0_SP1";;;;;;;0.34;;-1.53;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM417988;MM417988;C#CC(=CF)OCC#CC;OTDXAVDCYRBERF-UHFFFAOYSA-N;138.14;1.47;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4_Na";;;;;;;2.2;;0.34;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM417989;MM417989;CC(=N)n1ccncc1=O;QTRSCEKXKOXGGF-UHFFFAOYSA-N;137.14;0.09;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP2_SP1";;;;;;;-1.06;;-3.82;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM417990;MM417990;CCCc1coc(CO)c1;RJSKADFICDBCGY-UHFFFAOYSA-N;140.18;1.72;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC3_SNda";;;;;;;2.57;;0.44;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM417991;MM417991;C#CC(=NN)C(=N)NC=O;HOCIJLKZBKSGGN-UHFFFAOYSA-N;138.13;-1.34;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_P2";;;;;;;-1.34;;-4.31;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM417992;MM417992;C=NOC(=NN)C(C)(F)F;ZPAAGEJWSKEPPY-UHFFFAOYSA-N;151.12;0.55;;;;;DOPC;MDCG;27;0;"MARTINI bead: N0_P1";;;;;;;0.34;;-1.53;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM417993;MM417993;NN=c1ocnoc1=NN;QOLQYOVLCJYHPZ-UHFFFAOYSA-N;143.11;-2.18;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP2_SP2";;;;;;;-1.34;;-4.31;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM417994;MM417994;C#CC12C=CC(N)CC1C2;BVSJZTJJQRGPGG-UHFFFAOYSA-N;133.19;0.91;;;;;DOPC;MDCG;27;1;"MARTINI bead: SNd_SC4";;;;;;;2.2;;-1.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM417995;MM417995;CC(=O)n1ccncc1=O;AIOQTMZQXZMYAL-UHFFFAOYSA-N;138.13;-0.1;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP2_SP1";;;;;;;-1.06;;-3.82;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM417996;MM417996;NCCc1coc(CO)c1;GUIRZAPDDBHZRZ-UHFFFAOYSA-N;141.17;0.27;;;;;DOPC;MDCG;27;1;"MARTINI bead: SNd_SNda";;;;;;;0.87;;-4.14;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM417997;MM417997;C#CC(=NN)C(=O)NC=O;VAPHAKMKNRMRFS-UHFFFAOYSA-N;139.11;-1.79;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_P2";;;;;;;-1.34;;-4.31;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM417998;MM417998;Nc1cc(=NO)nnn1N;BVWWZVIWDLXRSR-UHFFFAOYSA-N;142.12;-2.14;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP2_SP3";;;;;;;-2.2;;-5.19;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM417999;MM417999;C#CC(=NO)OCC#CC;QHGWGCSQGHSIDY-UHFFFAOYSA-N;137.14;0.45;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4_P2";;;;;;;1.09;;-0.37;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM418000;MM418000;CC(=NN)N(C)C=O;SIYWHXIWHJLBJN-UHFFFAOYSA-N;115.14;-0.63;;;;;DOPC;MDCG;27;0;"MARTINI bead: P3_Nd";;;;;;;-1.1;;-3.93;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM418001;MM418001;NC(=O)n1ccncc1=O;VRLUWKRUNXDGJS-UHFFFAOYSA-N;139.11;-0.83;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP3_SP1";;;;;;;-1.93;;-4.72;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM418002;MM418002;CCCc1coc(CF)c1;GAAKGFKEFXPAGC-UHFFFAOYSA-N;142.17;2.7;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC3_SC5";;;;;;;3.34;;0.48;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM418003;MM418003;C#CC(=CC)C(=C)OC=O;NZYDAYUBUQLILA-UHFFFAOYSA-N;136.15;1.25;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4_Na";;;;;;;2.2;;0.34;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM418004;MM418004;CN=c1cc(N)n(O)nn1;UFMCRODJFLEWHW-UHFFFAOYSA-N;141.13;-1.37;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP2_SP2";;;;;;;-1.34;;-4.31;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM418005;MM418005;C#CC12C=CC(F)CC1C2;ZEAJNOYJBGTEJL-UHFFFAOYSA-N;136.17;1.92;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC4_SC4";;;;;;;3.53;;0.53;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM418006;MM418006;CC=C(CC)CC=CCN;FKSCOAURGZFLEW-UHFFFAOYSA-N;139.24;2.25;;;;;DOPC;MDCG;27;1;"MARTINI bead: C1_Nd";;;;;;;2.91;;-0.08;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM418007;MM418007;CN=c1cnoc(O)n1;KQQMXPYKDITAQU-UHFFFAOYSA-N;127.1;-0.69;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP3_SP2";;;;;;;-2.2;;-9.64;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM418008;MM418008;Nc1cc(=NO)nnn1O;PGBLFMYJOLNNQJ-UHFFFAOYSA-N;143.11;-1.61;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP2_SP3";;;;;;;-2.2;;-5.19;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM418009;MM418009;C#CC(=CC)C(=O)OC=C;AYXDTJBJSGHLJZ-UHFFFAOYSA-N;136.15;1.25;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4_Na";;;;;;;2.2;;0.34;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM418010;MM418010;NCCc1coc(CF)c1;OPAVGPHAEFDZHF-UHFFFAOYSA-N;143.16;1.25;;;;;DOPC;MDCG;27;1;"MARTINI bead: SNd_SC5";;;;;;;1.64;;-2.12;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM418011;MM418011;C=C1C=CC2(CN)CC2C1;HRHDYADZZGXYDJ-UHFFFAOYSA-N;135.21;1.47;;;;;DOPC;MDCG;27;1;"MARTINI bead: SNd_SC3";;;;;;;2.57;;-1.17;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM418012;MM418012;CC=C(CC)CC=CCO;PJQXOXBSBRXPTN-UHFFFAOYSA-N;140.23;2.28;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1_Nda";;;;;;;2.91;;0.57;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM418013;MM418013;C=C(C)n1cnncc1=N;DXJYAFYRGJYAFO-UHFFFAOYSA-N;136.16;0.25;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP2_SP2";;;;;;;-1.34;;-4.31;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM418014;MM418014;C#CC(=CF)C(=O)OC=C;MFLCVGYKKBQXIQ-UHFFFAOYSA-N;140.11;1.16;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_Na";;;;;;;1.64;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM418015;MM418015;O=CNN=c1onc(O)o1;ACRXUHAGNZZGME-UHFFFAOYSA-N;145.07;-1.47;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP3_P3";;;;;;;-3.07;;-10.23;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM418016;MM418016;CCCc1coc(NC)c1;DRPIWTMKYQQLDD-UHFFFAOYSA-N;139.2;2.27;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC3_SNd";;;;;;;2.57;;0.53;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM418017;MM418017;C=C1C=CC2(CF)CC2C1;SPULMOSEYVKBDX-UHFFFAOYSA-N;138.19;2.48;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC5_SC3";;;;;;;3.34;;0.48;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM418018;MM418018;O=C(O)C#CC(=O)CO;FFYGFTUMCQVDFR-UHFFFAOYSA-N;128.08;-1.36;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_P1";;;;;;;-1.06;;-9.07;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM418019;MM418019;CC=C(CC)CC=CCF;BXEFGNVPRZEJHR-UHFFFAOYSA-N;142.22;3.26;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1_C4";;;;;;;4.24;;0.42;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM418020;MM418020;CN=c1cc(F)n(C)nn1;SJFBVFXDKKJJDB-UHFFFAOYSA-N;142.14;-0.52;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP2_SNa";;;;;;;-0.24;;-3.24;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM418021;MM418021;CNc1cc(CCN)co1;BHPWLSDCWRNCRZ-UHFFFAOYSA-N;140.19;0.82;;;;;DOPC;MDCG;27;1;"MARTINI bead: SNd_SNd";;;;;;;0.87;;-4.36;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM418022;MM418022;C#CC(=CC)C(=O)ON=C;BFXMJVNJKBWBFW-UHFFFAOYSA-N;137.14;0.72;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4_P1";;;;;;;1.37;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM418023;MM418023;CC(=O)n1cnncc1=O;VBBNRBICWPRGGA-UHFFFAOYSA-N;139.11;-0.7;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP3_SP2";;;;;;;-2.2;;-5.19;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM418024;MM418024;CCC12C=CC(=O)CC1C2;GVRVWWYJRQWXGR-UHFFFAOYSA-N;136.19;1.93;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC3_SNa";;;;;;;2.57;;0.45;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM418025;MM418025;CCC=CCC(=CF)CC;SIQFJKFCFWZOJK-UHFFFAOYSA-N;142.22;3.61;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1_C3";;;;;;;4.61;;0.31;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM418026;MM418026;C#CC(=CF)C(=O)ON=C;QFBWLVCLVBAVLI-UHFFFAOYSA-N;141.1;0.63;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_P1";;;;;;;0.81;;-0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM418027;MM418027;Cn1nnc(=NN)cc1F;KCFZYNVWFQULNP-UHFFFAOYSA-N;143.13;-1.27;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNa_SP3";;;;;;;-1.1;;-4.2;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM418028;MM418028;CCCc1coc(OC)c1;CSHNUHRRIPGOKS-UHFFFAOYSA-N;140.18;2.24;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC3_SNa";;;;;;;2.57;;0.45;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM418029;MM418029;NC(=O)n1cnncc1=O;GPUWWUJFCQTBSR-UHFFFAOYSA-N;140.1;-1.43;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP3_SP2";;;;;;;-2.2;;-5.19;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM418030;MM418030;CC(=O)N=CN1CC1;COECCYBNXRXCNS-UHFFFAOYSA-N;112.13;-0.12;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_SP1";;;;;;;-1.06;;-3.82;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM418031;MM418031;CCC(=CF)CC=CCN;DDYZTBZDRIGOHS-UHFFFAOYSA-N;143.21;2.15;;;;;DOPC;MDCG;27;1;"MARTINI bead: C3_Nd";;;;;;;2.57;;-0.97;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM418032;MM418032;C#CC(=NN)C(=C)OC=C;RVJVGWVJHFFQOL-UHFFFAOYSA-N;136.15;0.61;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_C5";;;;;;;0.81;;-0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM418033;MM418033;Cn1nnc(=NO)cc1F;DDHGLANMPNZAFA-UHFFFAOYSA-N;144.11;-0.76;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNa_SP3";;;;;;;-1.1;;-4.2;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM418034;MM418034;N#CC(C#CC(=O)O)CO;FJUDGABNHBTZRZ-UHFFFAOYSA-N;139.11;-0.79;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_P1";;;;;;;-0.79;;-8.98;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM418035;MM418035;COc1cc(CCN)co1;XSWVBVUDODZOMM-UHFFFAOYSA-N;141.17;0.79;;;;;DOPC;MDCG;27;1;"MARTINI bead: SNa_SNd";;;;;;;0.87;;-4.09;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM418036;MM418036;CCC(=CF)CC=CCO;DLHHGSQTFOEASG-UHFFFAOYSA-N;144.19;2.19;;;;;DOPC;MDCG;27;0;"MARTINI bead: C3_Nda";;;;;;;2.57;;0.44;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM418037;MM418037;O=C1C=CC2(CF)CC2C1;LPSQNPSZWUEUSB-UHFFFAOYSA-N;140.16;1.49;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC5_SNa";;;;;;;1.64;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM418038;MM418038;C#CC(=NO)C(=C)OC=C;IQRUTKDPQZORHS-UHFFFAOYSA-N;137.14;1.12;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_C5";;;;;;;0.81;;-0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM418039;MM418039;CC(=N)n1ncccc1=N;KPFROZNYVBYTQZ-UHFFFAOYSA-N;136.16;0.21;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP1_SP1";;;;;;;-0.79;;-3.13;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM418040;MM418040;CN=c1cc(F)n(N)nn1;ZUHDKQCDEUONGK-UHFFFAOYSA-N;143.13;-1.34;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP2_SP1";;;;;;;-1.06;;-3.82;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM418041;MM418041;CCNc1coc(CC)c1;XRQCALMBMNAJDH-UHFFFAOYSA-N;139.2;2.27;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC5_SC4";;;;;;;2.97;;0.45;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM418042;MM418042;CCC(=CF)CC=CCF;XYGUHPBDIHDMAZ-UHFFFAOYSA-N;146.18;3.17;;;;;DOPC;MDCG;27;0;"MARTINI bead: C3_C4";;;;;;;3.9;;0.47;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM418043;MM418043;C=CCC(C)(O)C(=C)C;UBGHGOIDJRGZRE-UHFFFAOYSA-N;126.2;1.89;;;;;DOPC;MDCG;27;0;"MARTINI bead: N0_C4";;;;;;;2.5;;0.44;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM418044;MM418044;C#CCC(=O)C(C#C)=CN;NCUIXSBAASIUBX-UHFFFAOYSA-N;133.15;0.05;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_N0";;;;;;;0.34;;-1.53;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM418045;MM418045;CC(=O)n1ncccc1=N;YLIYIZFYDWVWEJ-UHFFFAOYSA-N;137.14;0.02;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP2_SP1";;;;;;;-1.06;;-3.82;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM418046;MM418046;CCNc1coc(CO)c1;UVMULGWGCOSCPP-UHFFFAOYSA-N;141.17;1.2;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC5_SNda";;;;;;;1.64;;0.05;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM418047;MM418047;CC(CC(F)=C(C)F)=NN;KGBAAMHWBKBPQU-UHFFFAOYSA-N;148.16;1.88;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_Nd";;;;;;;1.64;;0.02;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM418048;MM418048;CC=C(CN)CC=CCC;YGLZREQDRSWWHG-UHFFFAOYSA-N;139.24;2.25;;;;;DOPC;MDCG;27;1;"MARTINI bead: C1_Nd";;;;;;;2.91;;-0.07;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM418049;MM418049;C=CC(C)C(C)(O)C=C;BPYPLDAADGOFBD-UHFFFAOYSA-N;126.2;1.75;;;;;DOPC;MDCG;27;0;"MARTINI bead: C3_Nda";;;;;;;2.57;;0.44;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM418050;MM418050;N=C(N)n1ncccc1=N;HPDLBHZPGNBMOW-UHFFFAOYSA-N;137.15;-0.9;;;;;DOPC;MDCG;27;1;"MARTINI bead: SP2_SP1";;;;;;;-1.06;;-5.17;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM418051;MM418051;C#CCC(=C)C(C#C)=NN;KBHJMPOXMFTUKQ-UHFFFAOYSA-N;132.17;0.51;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_C5";;;;;;;0.81;;-0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM418052;MM418052;CCNc1coc(CF)c1;AGHCXYFVDWWRNH-UHFFFAOYSA-N;143.16;2.18;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC5_SC5";;;;;;;2.41;;0.64;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM418053;MM418053;Nn1nnc(=NO)cc1F;GSLHXIJOCYNITB-UHFFFAOYSA-N;145.1;-1.58;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP1_SP3";;;;;;;-1.93;;-4.72;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM418054;MM418054;CC=C(CN)CC=CCN;HQLUJGOMWIDJDG-UHFFFAOYSA-N;140.23;0.8;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_Nd";;;;;;;0.87;;-4.66;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM418055;MM418055;C=CCC(O)(C=C)CC;CRYPRYCEJPCFOG-UHFFFAOYSA-N;126.2;1.89;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_C4";;;;;;;2.97;;0.45;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM418056;MM418056;C#CCC(=C)C(C#C)=NO;UKSQHAJRFNVFCY-UHFFFAOYSA-N;133.15;1.03;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda_N0";;;;;;;1.17;;-1.13;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM418057;MM418057;N=c1cccnn1C(N)=O;VGPRLCKGISVAMW-UHFFFAOYSA-N;138.13;-0.71;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP2_SP1";;;;;;;-1.06;;-3.82;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM418058;MM418058;CCNc1coc(NC)c1;LLFJCVVCDSUJOQ-UHFFFAOYSA-N;140.19;1.75;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC5_SNd";;;;;;;1.64;;0.02;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM418059;MM418059;CN=c1cc(F)n(O)nn1;IJAWPOWLNKMBEG-UHFFFAOYSA-N;144.11;-0.82;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP2_SNda";;;;;;;-0.24;;-3.31;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM418060;MM418060;CC=C(CN)CC=CCF;OZAZFJSUIBRQPI-UHFFFAOYSA-N;143.21;1.81;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_C4";;;;;;;2.2;;-1.66;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM418061;MM418061;C=C1C=CC2(CC)OC2C1;VZIOVTOENFOUMJ-UHFFFAOYSA-N;136.19;2.05;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNa_SC3";;;;;;;2.57;;0.45;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM418062;MM418062;N#CCN=C(N)C(=O)O;FMQDLTYHZKJGGT-UHFFFAOYSA-N;127.1;-1.05;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_P1";;;;;;;-1.06;;-9.07;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM418063;MM418063;CCNc1coc(OC)c1;TYGNDYDWEFHYOE-UHFFFAOYSA-N;141.17;1.72;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC5_SNa";;;;;;;1.64;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM418064;MM418064;CC=CC(C)C(=CC)CC;WUOCLZGIYJGQGB-UHFFFAOYSA-N;138.25;3.55;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1_C1";;;;;;;4.95;;0.69;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM418065;MM418065;NN=c1cc(F)n(O)nn1;YRZVMHOTEIERAM-UHFFFAOYSA-N;145.1;-1.57;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP3_SNda";;;;;;;-1.1;;-3.97;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM418066;MM418066;NCC(=CF)CC=CCF;ZXTOCVIRPARNGV-UHFFFAOYSA-N;147.17;1.71;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1_C4";;;;;;;1.37;;-2.1;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM418067;MM418067;C=C1C=CC2(CN)OC2C1;ZVFCBDUDBRCBRB-UHFFFAOYSA-N;137.18;0.6;;;;;DOPC;MDCG;27;1;"MARTINI bead: SP2_SC3";;;;;;;1.46;;-2.02;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM418068;MM418068;C=C(C)n1ncccc1=O;JYHGWCMNOLDEGG-UHFFFAOYSA-N;136.15;0.73;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP1_SP1";;;;;;;-0.79;;-3.13;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM418069;MM418069;CC=C(CN)C(C)C=CF;CLGZCKHCZXIMSG-UHFFFAOYSA-N;143.21;2.01;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_C3";;;;;;;2.57;;-0.95;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM418070;MM418070;C=C(OC)C(C)OC=NN;GODHWEOKUICCHM-UHFFFAOYSA-N;144.17;0.45;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_Nda";;;;;;;0.87;;-1.99;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM418071;MM418071;ON=c1cc(F)n(O)nn1;MXYAZEBERXQFIV-UHFFFAOYSA-N;146.08;-1.06;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP3_SNda";;;;;;;-1.1;;-3.97;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM418072;MM418072;C#CC1C=CC(=NN)CN1;ODTUQPKWFRYSMA-UHFFFAOYSA-N;135.17;-0.54;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP2_SNd";;;;;;;-0.24;;-3.16;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM418073;MM418073;CCC12C=CC(=O)CC1O2;RWELMHAPOUCIGT-UHFFFAOYSA-N;138.17;1.06;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNa_SNa";;;;;;;0.87;;-2.22;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM418074;MM418074;CC(=N)n1ncccc1=O;CQAHOPQKAASJIF-UHFFFAOYSA-N;137.14;0.09;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP2_SP1";;;;;;;-1.06;;-3.82;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM418075;MM418075;CCCc1cc(CN)[nH]n1;NKVMEFCQFIHAEO-UHFFFAOYSA-N;139.2;0.82;;;;;DOPC;MDCG;27;1;"MARTINI bead: SC5_SP2";;;;;;;0.54;;-2.23;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM418076;MM418076;CC=CC(C)C(=CF)CN;GLHFSYZPLKGFJF-UHFFFAOYSA-N;143.21;2.01;;;;;DOPC;MDCG;27;1;"MARTINI bead: C1_P1";;;;;;;2.08;;-0.55;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM418077;MM418077;CN=c1ccn(C)c(C)n1;VXLKVMNMVOZKLP-UHFFFAOYSA-N;137.19;0.26;;;;;DOPC;MDCG;27;1;"MARTINI bead: SP1_SP1";;;;;;;-0.79;;-7.14;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM418078;MM418078;CC=C(CO)CC=CCO;ZHRXFNJWKHKTGL-UHFFFAOYSA-N;142.2;0.86;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda_Nda";;;;;;;0.87;;-2.07;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM418079;MM418079;C=CC12C=CC(=C)CC1C2;DIPSIROUDGSQQU-UHFFFAOYSA-N;132.21;2.69;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC4_SC3";;;;;;;3.9;;0.47;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM418080;MM418080;CC(=O)n1ncccc1=O;RJPLOAVFXZBFCH-UHFFFAOYSA-N;138.13;-0.1;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP2_SP1";;;;;;;-1.06;;-3.82;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM418081;MM418081;C=C1C(=O)C(N)=NC1=NC;IYNLYZGSWOVZHO-UHFFFAOYSA-N;137.14;-0.49;;;;;DOPC;MDCG;27;0;"MARTINI bead: SN0_SP1";;;;;;;0.34;;-1.53;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM418082;MM418082;NCCc1cc(CN)n[nH]1;VUTVZTSNVGVJDH-UHFFFAOYSA-N;140.19;-0.63;;;;;DOPC;MDCG;27;1;"MARTINI bead: SP1_SP2";;;;;;;-1.06;;-6.21;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM418083;MM418083;Cc1nc(=NN)ccn1C;OMLGZFAGEZMUSG-UHFFFAOYSA-N;138.17;-0.5;;;;;DOPC;MDCG;27;1;"MARTINI bead: SP2_SP1";;;;;;;-1.06;;-7.4;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM418084;MM418084;C=C1C=CC2(C=O)CC2C1;ZQYYEIJMNBPXAJ-UHFFFAOYSA-N;134.18;1.71;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC3_SNa";;;;;;;2.57;;0.45;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM418085;MM418085;OCC(=CF)CC=CCF;RGWQGRWKJPDMSW-UHFFFAOYSA-N;148.15;1.75;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda_Na";;;;;;;0.87;;-1.99;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM418086;MM418086;NC(=O)n1ncccc1=O;NPLOPMLOJFTKCA-UHFFFAOYSA-N;139.11;-0.83;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP2_SP1";;;;;;;-1.06;;-3.82;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM418087;MM418087;C=CC(=C)C(C)OC=NN;JGBAJHKGQNCHPB-UHFFFAOYSA-N;140.19;1.04;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda_C4";;;;;;;2.2;;0.49;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM418088;MM418088;CC=C(CF)C(C)C=CF;SSIKZIXMVPEGFZ-UHFFFAOYSA-N;146.18;3.02;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4_C3";;;;;;;3.9;;0.47;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM418089;MM418089;CN=c1ccn(N)c(C)n1;SLCAVEUGCLMTFP-UHFFFAOYSA-N;138.17;-0.56;;;;;DOPC;MDCG;27;1;"MARTINI bead: SP1_SP2";;;;;;;-1.06;;-6.79;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM418090;MM418090;C=C1C=CC2(C#N)CC2C1;WAQPMKSEJKZKRJ-UHFFFAOYSA-N;131.18;2.03;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC3_SC5";;;;;;;3.34;;0.48;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM418091;MM418091;CC=C(CF)CC=CCC;AYAQRWLDBJQXKS-UHFFFAOYSA-N;142.22;3.26;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1_C4";;;;;;;4.24;;0.42;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM418092;MM418092;O=c1o[nH]nc1C1CN1;IERLCSLIWAIYPO-UHFFFAOYSA-N;127.1;-0.99;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP2_SP3";;;;;;;-2.2;;-9.64;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM418093;MM418093;CC=CC(N)C(=CC)CC;PMWWSCFKBYQMKA-UHFFFAOYSA-N;139.24;2.25;;;;;DOPC;MDCG;27;1;"MARTINI bead: C1_Nd";;;;;;;2.91;;0.15;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM418094;MM418094;C#CC(=C)C(C)OC=NN;VUUQEIJOPMUYDT-UHFFFAOYSA-N;138.17;0.48;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda_N0";;;;;;;1.17;;-1.13;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM418095;MM418095;CN=c1ccn(C)c(N)n1;HBEJQDFRPKGLPU-UHFFFAOYSA-N;138.17;-0.47;;;;;DOPC;MDCG;27;1;"MARTINI bead: SP1_SP2";;;;;;;-1.06;;-8.28;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM418096;MM418096;CC=C(CF)CC=CCN;JURIPAQAIPSXLN-UHFFFAOYSA-N;143.21;1.81;;;;;DOPC;MDCG;27;1;"MARTINI bead: C4_Nd";;;;;;;2.2;;-1.67;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM418097;MM418097;C=CC12C=CC(=O)CC1C2;BPRDEGLCRDZJRJ-UHFFFAOYSA-N;134.18;1.71;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC4_SNa";;;;;;;2.2;;0.34;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM418098;MM418098;C=C(C)n1ncncc1=N;DKMAMQSMVSVZEX-UHFFFAOYSA-N;136.16;0.25;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP2_SP2";;;;;;;-1.34;;-4.31;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM418099;MM418099;CC=C(CC)C(N)C=CF;KCHMILCVOHBJHW-UHFFFAOYSA-N;143.21;2.15;;;;;DOPC;MDCG;27;1;"MARTINI bead: C1_P1";;;;;;;2.08;;-0.29;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM418100;MM418100;C=C(OC=NN)C(C)CC;CPNLQHYOLMFUJC-UHFFFAOYSA-N;142.2;1.46;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1_Nda";;;;;;;2.91;;0.57;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM418101;MM418101;Cn1ccc(=NN)nc1N;BOHZVUKPROGSBH-UHFFFAOYSA-N;139.16;-1.22;;;;;DOPC;MDCG;27;1;"MARTINI bead: SP1_SP3";;;;;;;-1.93;;-8.61;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM418102;MM418102;O=CC12C=CC(=O)CC1C2;NVIGREHAWUCRDE-UHFFFAOYSA-N;136.15;0.72;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNa_SNa";;;;;;;0.87;;-2.22;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM418103;MM418103;CC=C(CF)CC=CCO;RAGWNZGFHDCDEF-UHFFFAOYSA-N;144.19;1.84;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4_Nda";;;;;;;2.2;;0.49;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM418104;MM418104;CC(=N)n1ncncc1=N;DLYVWFJGMUVBQC-UHFFFAOYSA-N;137.15;-0.4;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP2_SP2";;;;;;;-1.34;;-4.31;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM418105;MM418105;CCCc1cc(OC)[nH]n1;MOOMCDRBLFJGHD-UHFFFAOYSA-N;140.19;1.37;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC5_SNda";;;;;;;1.64;;0.05;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM418106;MM418106;NC(C=CF)C(=CF)CF;CIWWVROHSOGPEI-UHFFFAOYSA-N;151.13;1.62;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1_C5";;;;;;;0.81;;-2.2;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM418107;MM418107;CN=c1ccn(N)c(N)n1;PBSDSKDWMBATCI-UHFFFAOYSA-N;139.16;-1.29;;;;;DOPC;MDCG;27;1;"MARTINI bead: SP1_SP2";;;;;;;-1.06;;-8.01;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM418108;MM418108;N#CC12C=CC(=O)CC1C2;YZAGCJZWHGSUNO-UHFFFAOYSA-N;133.15;1.05;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNa_SC5";;;;;;;1.64;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM418109;MM418109;CC(=O)n1ncncc1=N;MUIBRJYFAHBDTR-UHFFFAOYSA-N;138.13;-0.58;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP2_SP2";;;;;;;-1.34;;-4.31;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM418110;MM418110;CCCc1cc(CC)on1;HSMUNZGHXBUKRH-UHFFFAOYSA-N;139.2;2.19;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC5_SN0";;;;;;;1.94;;0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM418111;MM418111;CC=C(CF)CC=CCF;GYYMBJOOTLHNBX-UHFFFAOYSA-N;146.18;2.82;;;;;DOPC;MDCG;27;0;"MARTINI bead: C3_Na";;;;;;;2.57;;0.45;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM418112;MM418112;CC=C(CC)C(O)C=CF;MOAANIUREZZFHZ-UHFFFAOYSA-N;144.19;2.19;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1_Nda";;;;;;;2.91;;0.57;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM418113;MM418113;NN=c1ccn(N)c(N)n1;RJWLZOCZFZMJIH-UHFFFAOYSA-N;140.15;-2.05;;;;;DOPC;MDCG;27;1;"MARTINI bead: SP1_SP3";;;;;;;-1.93;;-8.44;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM418114;MM418114;CCCc1cc(CO)on1;YJHSTANHLVWXPJ-UHFFFAOYSA-N;141.17;1.12;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC5_SP1";;;;;;;0.81;;-0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM418115;MM418115;N=c1cncnn1C(N)=O;UXUOUJRIBXDZEV-UHFFFAOYSA-N;139.12;-1.32;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP3_SP2";;;;;;;-2.2;;-5.19;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM418116;MM418116;C=CC12C=CC(=O)CC1O2;JPWIITKSNMVDGN-UHFFFAOYSA-N;136.15;0.84;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNa_SNa";;;;;;;0.87;;-2.22;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM418117;MM418117;NCC=CCC(=CF)CF;KRFSWFYCWIWAAJ-UHFFFAOYSA-N;147.17;1.71;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1_C5";;;;;;;0.81;;-2.73;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM418118;MM418118;CC=CC(O)C(=CC)CO;TYCIAAKWMISJLW-UHFFFAOYSA-N;142.2;0.86;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda_Nda";;;;;;;0.87;;-2.07;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM418119;MM418119;CCCc1cc(CF)on1;OULJWKPJLXNILK-UHFFFAOYSA-N;143.16;2.1;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC5_SNa";;;;;;;1.64;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM418120;MM418120;Nc1nc(=NO)ccn1N;JROYXSFXXALPLH-UHFFFAOYSA-N;141.13;-1.53;;;;;DOPC;MDCG;27;1;"MARTINI bead: SP3_SP1";;;;;;;-1.93;;-8.68;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM418121;MM418121;N#CC(=O)C(=NO)C(=O)O;KSABCCBNBKHRAK-UHFFFAOYSA-N;142.07;-1.01;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_P1";;;;;;;-0.79;;-8.99;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM418122;MM418122;C#CC12C=CC(=C)CC1C2;SEKJCHFUDYJYJP-UHFFFAOYSA-N;130.19;2.14;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC3_SC4";;;;;;;3.9;;0.47;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM418123;MM418123;FC=C(CF)CC=CCF;GGSZYWZUZBDAQC-UHFFFAOYSA-N;150.14;2.73;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4_C5";;;;;;;2.97;;0.45;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM418124;MM418124;CC=C(CO)C(O)C=CF;ZXPXMVXWHRWAQY-UHFFFAOYSA-N;146.16;0.77;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda_Nda";;;;;;;0.87;;-2.07;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM418125;MM418125;Cc1n[nH]c(=NO)oc1=O;VWPJGCZNDNTVER-UHFFFAOYSA-N;143.1;-1.04;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP3_SP2";;;;;;;-2.2;;-9.54;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM418126;MM418126;C#CC12C=CC(=O)CC1C2;IUDVYLDPCXKDHR-UHFFFAOYSA-N;132.16;1.15;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNa_SC4";;;;;;;2.2;;0.34;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM418127;MM418127;C=C(C)n1ncncc1=O;RPRDNSCTIBJRJP-UHFFFAOYSA-N;137.14;0.13;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP3_SP2";;;;;;;-2.2;;-5.19;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM418128;MM418128;CCCc1cc(OC)on1;RBYWPNFPMXJUFD-UHFFFAOYSA-N;141.17;1.64;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC5_SNa";;;;;;;1.64;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM418129;MM418129;CC=C(CN)C(F)C=CF;WEVSFJDUNSKBAG-UHFFFAOYSA-N;147.17;1.71;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_C5";;;;;;;1.64;;-2.04;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM418130;MM418130;CC=C(CC)CC=COC;WVAGDAZQMZJNPB-UHFFFAOYSA-N;140.23;2.89;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1_Na";;;;;;;2.91;;0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM418131;MM418131;O=c1cn[nH]c(=NO)nn1;RVMAHBMXQQYXRC-UHFFFAOYSA-N;141.09;-2.15;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP3_SP4";;;;;;;-3.15;;-10.28;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM418132;MM418132;CC1=CCC2(CF)CC2C1;IZEJFRWYXLDUIP-UHFFFAOYSA-N;140.2;2.7;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC2_SC4";;;;;;;4.16;;0.44;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM418133;MM418133;CC(=N)n1ncncc1=O;BEBXHLIQDJMAGC-UHFFFAOYSA-N;138.13;-0.52;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP2_SP2";;;;;;;-1.34;;-4.31;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM418134;MM418134;C=C(OC=NN)C(C)OC;IJYGFANKCOVPLP-UHFFFAOYSA-N;144.17;0.45;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_Nda";;;;;;;0.87;;-1.99;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM418135;MM418135;CCC(=CF)CC=COC;RRVYMXVYCPEURW-UHFFFAOYSA-N;144.19;2.8;;;;;DOPC;MDCG;27;0;"MARTINI bead: C3_C5";;;;;;;3.34;;0.48;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM418136;MM418136;CC=C(CC)C(C)C=NO;VKQBNCVMRQWNKV-UHFFFAOYSA-N;141.21;2.44;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1_Nda";;;;;;;2.91;;0.57;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM418137;MM418137;NC=C(C(=O)O)C(=O)O;DTFBBVDDPVULMK-UHFFFAOYSA-N;131.09;-1;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_P1";;;;;;;-0.79;;-8.2;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM418138;MM418138;CCC12CC=C(F)CC1C2;RGXKNRGMNQZCKY-UHFFFAOYSA-N;140.2;3.05;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC1_SC4";;;;;;;4.24;;0.42;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM418139;MM418139;CC(=O)n1ncncc1=O;QKPUPEMOJRUFSX-UHFFFAOYSA-N;139.11;-0.7;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP3_SP2";;;;;;;-2.2;;-5.19;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM418140;MM418140;C=CC(F)C(=C)OC=NN;DKTDJKLDCKEGDM-UHFFFAOYSA-N;144.15;0.94;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda_Na";;;;;;;0.87;;-1.99;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM418141;MM418141;CC=C(CN)CC=COC;PKSFXJTYRYFMRO-UHFFFAOYSA-N;141.21;1.44;;;;;DOPC;MDCG;27;1;"MARTINI bead: C5_Nd";;;;;;;1.64;;-2.13;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM418142;MM418142;CC=C(CO)C(C)C=NO;MRVQWXAEALTZIY-UHFFFAOYSA-N;143.19;1.02;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda_Nda";;;;;;;0.87;;-2.07;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM418143;MM418143;CC(F)C(=CN)C(=O)O;LVMQDZSKTLYQBT-UHFFFAOYSA-N;133.12;0.27;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda_P1";;;;;;;0.04;;-7.74;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM418144;MM418144;NC(=O)n1ncncc1=O;HJTQAEQYVUXGGT-UHFFFAOYSA-N;140.1;-1.43;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP3_SP2";;;;;;;-2.2;;-5.19;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM418145;MM418145;C=CC(O)C(C)(C)C;CXZYULDCQRMQIQ-UHFFFAOYSA-N;114.19;1.58;;;;;DOPC;MDCG;27;0;"MARTINI bead: C3_Nda";;;;;;;2.57;;0.44;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM418146;MM418146;NCC12CC=C(F)CC1C2;ZTNKWEZPTDAYLY-UHFFFAOYSA-N;141.19;1.6;;;;;DOPC;MDCG;27;1;"MARTINI bead: SNd_SC4";;;;;;;2.2;;-1.91;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM418147;MM418147;CCCc1coc(CC)n1;SVLUYSMEKRGSQR-UHFFFAOYSA-N;139.2;2.19;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC5_SN0";;;;;;;1.94;;0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM418148;MM418148;CC(C=NO)C(=CF)CF;LICCVJMFXJHGDC-UHFFFAOYSA-N;149.14;1.91;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda_C5";;;;;;;1.64;;0.05;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM418149;MM418149;Cc1nc(=NO)nnn1C;QIQIDKZTCVZAKJ-UHFFFAOYSA-N;141.13;-1.19;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP2_SP3";;;;;;;-2.2;;-5.19;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM418150;MM418150;NC(=O)C(=O)C#CC(=O)O;MKDPJFCTYCGQFA-UHFFFAOYSA-N;141.08;-1.87;;;;;DOPC;MDCG;27;0;"MARTINI bead: P3_Nda";;;;;;;-1.1;;-8.5;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM418151;MM418151;CCCc1coc(CO)n1;JEYSNZCLNGREMB-UHFFFAOYSA-N;141.17;1.12;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC5_SP1";;;;;;;0.81;;-0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM418152;MM418152;FCC12CC=C(F)CC1C2;FNNVHLKTTKINTE-UHFFFAOYSA-N;144.16;2.61;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC4_SC4";;;;;;;3.53;;0.53;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM418153;MM418153;CC=C(CF)CC=NNC;CCLWNDWTMPJCSV-UHFFFAOYSA-N;144.19;1.5;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_C3";;;;;;;1.46;;-0.15;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM418154;MM418154;N=c1nc(CF)c(N)no1;SNLFBKYQAPLSHR-UHFFFAOYSA-N;144.11;-0.4;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP2_SP2";;;;;;;-1.34;;-4.31;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM418155;MM418155;Cc1nc(=NN)nnn1O;NBGKVJUABJQRKN-UHFFFAOYSA-N;142.12;-2.01;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP2_SP5";;;;;;;-2.22;;-6.53;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM418156;MM418156;CCCc1coc(CF)n1;AAYNYLSPIKXKBV-UHFFFAOYSA-N;143.16;2.1;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC5_SNa";;;;;;;1.64;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM418157;MM418157;CCC(=NOC=NN)NC;ZZJZZDPMBRQFLV-UHFFFAOYSA-N;144.18;-0.15;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_P2";;;;;;;0.54;;-1.09;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM418158;MM418158;CC(=O)n1nnncc1=N;PSJLNVSOYOBZDR-UHFFFAOYSA-N;139.12;-1.19;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP3_SP2";;;;;;;-2.2;;-5.19;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM418159;MM418159;CNC12CC=C(F)CC1C2;XSAKFBSTRVLIGW-UHFFFAOYSA-N;141.19;1.61;;;;;DOPC;MDCG;27;1;"MARTINI bead: SNd_SC4";;;;;;;2.2;;-2.28;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM418160;MM418160;CC=C(CC)CC=NOC;OBTFYYQOQIPVJZ-UHFFFAOYSA-N;141.21;2.37;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1_Na";;;;;;;2.91;;0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM418161;MM418161;Cc1nc(=NO)nnn1O;YQJRQFKUKZGDHI-UHFFFAOYSA-N;143.11;-1.49;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP2_SP3";;;;;;;-2.2;;-5.19;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM418162;MM418162;N=c1cnnnn1C(N)=O;QJVRDUHQBGBARR-UHFFFAOYSA-N;140.11;-1.92;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP3_SP2";;;;;;;-2.2;;-5.19;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM418163;MM418163;C#CC(C)C(=C)OC=NN;CHUJXBHDQKRPSD-UHFFFAOYSA-N;138.17;0.69;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_Nda";;;;;;;1.64;;0.05;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM418164;MM418164;COC12CC=C(C)CC1C2;ONMNUINGKVFJJJ-UHFFFAOYSA-N;138.21;2.13;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC5_SC2";;;;;;;3.6;;0.34;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM418165;MM418165;CCC(=NN)C(C)C=CF;PRDOABSEJDRKFM-UHFFFAOYSA-N;144.19;1.83;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nd_C3";;;;;;;2.57;;0.53;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM418166;MM418166;N=c1nnnnc(=O)[nH]1;JHIHTPZQXVNVLO-UHFFFAOYSA-N;126.08;-2.57;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP4_SP3";;;;;;;-3.15;;-10.28;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM418167;MM418167;CCC(=CF)CC=NOC;CYECQIWGYHFMTE-UHFFFAOYSA-N;145.18;2.27;;;;;DOPC;MDCG;27;0;"MARTINI bead: C3_Na";;;;;;;2.57;;0.45;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM418168;MM418168;CNC(=NN=CCF)OC;KOONHAQZWJPCKG-UHFFFAOYSA-N;147.15;0.16;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_C5";;;;;;;0.81;;-0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM418169;MM418169;CCCc1coc(OC)n1;IIPLMRLUGRARPQ-UHFFFAOYSA-N;141.17;1.64;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC5_SNa";;;;;;;1.64;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM418170;MM418170;C=CC(=O)CNN=CC;DFGXNAUCPKNMQS-UHFFFAOYSA-N;126.16;0.34;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nd_Na";;;;;;;0.87;;-1.88;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM418171;MM418171;NN=c1nn[nH]c(=NO)o1;TYOKRGLYXBFBKK-UHFFFAOYSA-N;144.09;-2.54;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP3_SP3";;;;;;;-3.07;;-10.29;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM418172;MM418172;O=C(O)C(=O)NOCCO;IWFPDBFTKFZDFQ-UHFFFAOYSA-N;149.1;-1.89;;;;;DOPC;MDCG;27;0;"MARTINI bead: P4_P1";;;;;;;-2.01;;-9.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM418173;MM418173;CC=C(CN)CC=NOC;RWOWNEYPGUPPAH-UHFFFAOYSA-N;142.2;0.91;;;;;DOPC;MDCG;27;1;"MARTINI bead: Na_Nd";;;;;;;0.87;;-4.12;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM418174;MM418174;NN=C(CF)C(O)C=CF;ZPJOZWVZLFGIJR-UHFFFAOYSA-N;150.13;0.11;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_Nda";;;;;;;0.04;;-2.73;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM418175;MM418175;CC1=NOC2(CN)CC2C1;YWANLUQSTLNDJP-UHFFFAOYSA-N;140.19;0.5;;;;;DOPC;MDCG;27;1;"MARTINI bead: SN0_SP1";;;;;;;0.34;;-3.07;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM418176;MM418176;C=C(CC)C(=C)OC=NN;WJNIUJFAGIYJHC-UHFFFAOYSA-N;140.19;1.38;;;;;DOPC;MDCG;27;0;"MARTINI bead: C3_Nda";;;;;;;2.57;;0.44;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM418177;MM418177;CC=C(CF)CC=NOC;YGNDJZFTGAXMKC-UHFFFAOYSA-N;145.18;1.92;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_C3";;;;;;;1.74;;0.29;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM418178;MM418178;C=Cn1[nH]c(F)c(N)c1=O;VIJZMWGZNCZBQC-UHFFFAOYSA-N;143.12;;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP1_SP2";;;;;;;-1.06;;-8.69;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM418179;MM418179;CC(=N)n1nnncc1=O;GGRSSKJVAIANIH-UHFFFAOYSA-N;139.12;-1.12;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP2_SP2";;;;;;;-1.34;;-4.31;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM418180;MM418180;CCNc1coc(CO)n1;QBXAHFBCQZDGGN-UHFFFAOYSA-N;142.16;0.6;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNda_SP1";;;;;;;0.04;;-2.73;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM418181;MM418181;CC=CC1=NC(=CO)N=N1;GWLVJKJIRBLMFE-UHFFFAOYSA-N;137.14;1.78;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC5_SNda";;;;;;;1.64;;-4.98;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM418182;MM418182;CCC(=NN)C(C)C=NN;FUMPWVQZFNZCQE-UHFFFAOYSA-N;142.21;0.29;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nd_Nd";;;;;;;0.87;;-2.11;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM418183;MM418183;CON(C)C(=O)C=NN;VJMIMAOYXCADSK-UHFFFAOYSA-N;131.14;-1.05;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_P1";;;;;;;-1.06;;-3.82;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM418184;MM418184;CCC=CCC(CC)=NN;GATYCRTYNLWQIM-UHFFFAOYSA-N;140.23;2.07;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1_Nd";;;;;;;2.91;;0.63;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM418185;MM418185;CC(=O)n1nnncc1=O;KAVKVXWPKXWHDL-UHFFFAOYSA-N;140.1;-1.31;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP3_SP2";;;;;;;-2.2;;-5.19;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM418186;MM418186;C=C(OC)C(=C)OC=NN;DRIVARVXCLZOAV-UHFFFAOYSA-N;142.16;0.58;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_Nda";;;;;;;0.87;;-1.99;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM418187;MM418187;C=NN=CC=NN=CCF;RUHILPMHGROADO-UHFFFAOYSA-N;142.14;0.7;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_N0";;;;;;;1.17;;-1.18;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM418188;MM418188;CC1=CCC2(CF)NC2C1;CSHVNIOQSXHLAI-UHFFFAOYSA-N;141.19;1.41;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC2_SNda";;;;;;;2.83;;0.59;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM418189;MM418189;CCC(=NN)C(C)C=NO;HAYRSNIHCJUWQE-UHFFFAOYSA-N;143.19;0.81;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nd_Nda";;;;;;;0.87;;-1.92;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM418190;MM418190;N#CC(F)(C=NO)C(F)F;ZIZAUFIHLAEVLF-UHFFFAOYSA-N;152.08;0.94;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda_N0";;;;;;;1.17;;-6.23;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM418191;MM418191;Cn1nc(N)oc1=O;LPZLPVMDGBKSRE-UHFFFAOYSA-N;115.09;-1.04;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP2_SP3";;;;;;;-2.2;;-5.19;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM418192;MM418192;C#CC(=C)C(=C)OC=NN;DLMTWAGJUDGXKN-UHFFFAOYSA-N;136.15;0.61;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda_N0";;;;;;;1.17;;-1.13;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM418193;MM418193;CC1=CCC2(CO)OC2C1;SNDOKYVLJPVGNP-UHFFFAOYSA-N;140.18;0.86;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC2_SNda";;;;;;;2.83;;0.57;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM418194;MM418194;NC(=O)n1nnncc1=O;WOHXDIVYQSEEBP-UHFFFAOYSA-N;141.09;-2.04;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP3_SP2";;;;;;;-2.2;;-5.19;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM418195;MM418195;C=CC1(C#N)NC1C(=O)O;HHTMLHUTENAQOM-UHFFFAOYSA-N;138.13;-0.51;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_SP1";;;;;;;-0.79;;-8.21;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM418196;MM418196;CCC(=NO)C(C)C=NO;TVKIMDVWSIJHKV-UHFFFAOYSA-N;144.17;1.32;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda_Nda";;;;;;;0.87;;-2.07;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM418197;MM418197;CCC(CC=CCF)=NN;HONZTTXNWJTSFD-UHFFFAOYSA-N;144.19;1.63;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_Na";;;;;;;1.64;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM418198;MM418198;CC=NOC(=NO)C(F)F;UBCRGMSSYZQLQU-UHFFFAOYSA-N;152.1;1.06;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda_N0";;;;;;;1.17;;-7.19;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM418199;MM418199;C=C(OC=NN)C(F)=CC;HNYAQZNIRZOKGE-UHFFFAOYSA-N;144.15;1.29;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4_Nda";;;;;;;2.2;;0.49;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM418200;MM418200;CCC1=CCC(C)C(C)=C1;ZHRUMOBTDGEXIV-UHFFFAOYSA-N;136.24;3.31;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC2_SC3";;;;;;;4.53;;0.32;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM418201;MM418201;CCC12CC=C(F)CC1O2;RNXGPXBOBHNTDM-UHFFFAOYSA-N;142.17;2.18;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC4_SC4";;;;;;;3.53;;0.53;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM418202;MM418202;CC(C=NO)C(CO)=NN;CGCOWBUVKAWTSP-UHFFFAOYSA-N;145.16;-0.61;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_P1";;;;;;;-0.79;;-3.13;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM418203;MM418203;CCC=CCC(CC)=NO;UKGXIBLYBIRWLX-UHFFFAOYSA-N;141.21;2.58;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1_Nda";;;;;;;2.91;;0.57;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM418204;MM418204;CN(C)c1cccoc1=O;MQRWAUSWHUDGOC-UHFFFAOYSA-N;139.15;0.71;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_SNa";;;;;;;0.04;;-2.54;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM418205;MM418205;C=C(OC=NN)C(F)=CF;AGABWAUMQPSFCM-UHFFFAOYSA-N;148.11;1.2;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda_C5";;;;;;;1.64;;0.05;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM418206;MM418206;NNC(=O)C#CCC(=O)O;UTLZVDBDHGARRD-UHFFFAOYSA-N;142.11;-1.55;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_P1";;;;;;;-1.06;;-8.53;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM418207;MM418207;CCC1=CCC(N)C(C)=C1;JCFKAZZGSVGFTB-UHFFFAOYSA-N;137.23;2;;;;;DOPC;MDCG;27;1;"MARTINI bead: SC2_SNd";;;;;;;2.83;;-0.44;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM418208;MM418208;OCC12CC=C(F)CC1O2;CDLZSMYPDIIUCV-UHFFFAOYSA-N;144.15;0.76;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNda_SC4";;;;;;;2.2;;0.49;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM418209;MM418209;CCC(CC=CCN)=NO;XIFSXXXESAUNIZ-UHFFFAOYSA-N;142.2;1.13;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nda_Nd";;;;;;;0.87;;-4.09;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM418210;MM418210;N#CC(=NO)C(F)C(N)=O;RHSAXUMBBUCMDM-UHFFFAOYSA-N;145.09;-0.84;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_P2";;;;;;;-1.34;;-9.61;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM418211;MM418211;CCCc1noc(CC)n1;UALZQHQSFQIHPA-UHFFFAOYSA-N;140.19;1.58;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNa_SNa";;;;;;;0.87;;-2.22;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM418212;MM418212;C#CC1(C#N)CC1NN=C;BNIGPYCMEUXCSW-UHFFFAOYSA-N;133.15;0.11;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_SN0";;;;;;;0.06;;-2.21;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM418213;MM418213;COC1=CCC(C)C(C)=C1;XMVRDBMVOLBYAS-UHFFFAOYSA-N;138.21;2.5;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC5_SC3";;;;;;;3.34;;0.48;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM418214;MM418214;C=CC12CC=C(C)CC1O2;LUMRBLGLOHXAPX-UHFFFAOYSA-N;136.19;2.05;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC2_SC5";;;;;;;3.6;;0.34;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM418215;MM418215;CCC(CC=CCO)=NO;GJGHXFLVWXZCHM-UHFFFAOYSA-N;143.19;1.17;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda_Nda";;;;;;;0.87;;-2.07;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM418216;MM418216;N=c1nn[nH]oc1=NN;PNMWJRRIHPMXGW-UHFFFAOYSA-N;128.1;-2.35;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP2_SP2";;;;;;;-1.34;;-9.61;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM418217;MM418217;CCCc1noc(CO)n1;KYGUWOUTVPUWDL-UHFFFAOYSA-N;142.16;0.51;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNa_SP1";;;;;;;0.04;;-2.54;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM418218;MM418218;CCC1=CC(=O)N(C)CC1;NOOZOPQYEOREJY-UHFFFAOYSA-N;139.2;1.18;;;;;DOPC;MDCG;27;0;"MARTINI bead: SN0_SNda";;;;;;;1.17;;-1.13;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM418219;MM418219;CC1=CC(C=O)=CCC1C;RXGWVJIALVMZFO-UHFFFAOYSA-N;136.19;2.1;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC3_SNa";;;;;;;2.57;;0.45;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM418220;MM418220;C=CC12CC=C(F)CC1O2;VIECFUZQMSXYPX-UHFFFAOYSA-N;140.16;1.96;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC4_SC5";;;;;;;2.97;;0.45;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM418221;MM418221;CCC(CC=CCF)=NO;LOZLTNGPWRMWSU-UHFFFAOYSA-N;145.18;2.14;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda_Na";;;;;;;0.87;;-1.99;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM418222;MM418222;C=COC(=CC#N)C(=O)O;BXRLOSTVXUDEEV-UHFFFAOYSA-N;139.11;0.64;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_C5";;;;;;;0.81;;-6.2;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM418223;MM418223;CCCc1noc(CF)n1;BCZOTXUEAOQEQJ-UHFFFAOYSA-N;144.15;1.49;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNa_SNa";;;;;;;0.87;;-2.22;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM418224;MM418224;NC=C(F)C(=O)C(=O)O;OGVGBPAEVLFRRW-UHFFFAOYSA-N;133.08;-0.59;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda_P2";;;;;;;-0.24;;-8;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM418225;MM418225;C=C1CC=C(OC)C=C1C;GKZXDROKHVWPDB-UHFFFAOYSA-N;136.19;2.42;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC5_SC3";;;;;;;3.34;;0.48;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM418226;MM418226;CCC(CC)C1CC(C)C1;BPVITZYXYUIZJZ-UHFFFAOYSA-N;140.27;3.47;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC1_SC4";;;;;;;4.24;;0.42;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM418227;MM418227;N=c1nconc1N;OAYNQYYDNRLALV-UHFFFAOYSA-N;112.09;-0.87;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP3_SP3";;;;;;;-3.07;;-6.15;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM418228;MM418228;O=Cn1nnc(O)n1;UVOFTLTXLORHAB-UHFFFAOYSA-N;114.06;-1.58;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP1_SP2";;;;;;;-1.06;;-9.07;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM418229;MM418229;CCCc1noc(NC)n1;HBQHYJFNNLFRDP-UHFFFAOYSA-N;141.17;1.06;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNa_SNda";;;;;;;0.87;;-1.99;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM418230;MM418230;O=c1[nH]n(O)c(=O)n1O;DJIQPWQLHXAESR-UHFFFAOYSA-N;133.06;-2.19;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP2_SP3";;;;;;;-2.2;;-9.48;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM418231;MM418231;N=c1cc(CN)[nH]oc1=O;KZUVZLGPXQKVSG-UHFFFAOYSA-N;141.13;-1.09;;;;;DOPC;MDCG;27;1;"MARTINI bead: SP2_SP2";;;;;;;-1.34;;-5.98;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM418232;MM418232;C=COC(=O)C(C)=NN;SUSGXEYONCDLFZ-UHFFFAOYSA-N;128.13;0.01;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nd_Na";;;;;;;0.87;;-1.88;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM418233;MM418233;CCC=CCC(CF)=NN;ZRUZMWJDYXDUOA-UHFFFAOYSA-N;144.19;1.63;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1_P1";;;;;;;2.08;;0.48;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM418234;MM418234;N=c1nn[nH]c(=NO)nn1;RQCSWAZGSVKPSX-UHFFFAOYSA-N;141.09;-2.64;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP4_SP4";;;;;;;-3.24;;-11.09;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM418235;MM418235;CCCc1noc(OC)n1;JHRVVDQQCOIHHG-UHFFFAOYSA-N;142.16;1.03;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNa_SNa";;;;;;;0.87;;-2.22;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM418236;MM418236;CNc1c[nH]c(=O)c(F)n1;LRAGDTCYIYAXFU-UHFFFAOYSA-N;143.12;-0.05;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNda_SP2";;;;;;;-0.24;;-3.31;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM418237;MM418237;CN=C(NC)C(C)C=CF;QXOCMSVZJFXGCO-UHFFFAOYSA-N;144.19;1.35;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1_C3";;;;;;;1.74;;-3.62;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM418238;MM418238;CCC(CC)C1CC(N)C1;NHPZBNQNWQLFDE-UHFFFAOYSA-N;141.26;2.16;;;;;DOPC;MDCG;27;1;"MARTINI bead: SC1_SNd";;;;;;;2.91;;-0.58;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM418239;MM418239;CCC(CC=COC)=NN;BEHXMNBXFLRANT-UHFFFAOYSA-N;142.2;1.26;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nd_C5";;;;;;;1.64;;0.02;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM418240;MM418240;C=c1ccccc1=C(C)C;GJAROWNMBGNURY-UHFFFAOYSA-N;132.21;1.29;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC1_SC5";;;;;;;3.68;;0.46;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM418241;MM418241;C=CCC1=CCC(CC)=C1;LZQQCEVDEAJOQP-UHFFFAOYSA-N;134.22;3.23;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC3_SC4";;;;;;;3.9;;0.47;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM418242;MM418242;C=CC1=CCC(=C)C(C)=C1;YROXXFTUUSMYDA-UHFFFAOYSA-N;132.21;3.01;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC3_SC3";;;;;;;4.27;;0.2;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM418243;MM418243;Cc1nnc(=NN)oc1N;RGAPRIUVZBRXMD-UHFFFAOYSA-N;141.13;-1.27;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP3_SP3";;;;;;;-3.07;;-6.15;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM418244;MM418244;NCC(CN)C1CC(O)C1;PKJMEPAFBCRBDL-UHFFFAOYSA-N;144.22;-0.71;;;;;DOPC;MDCG;27;1;"MARTINI bead: SNd_SNda";;;;;;;0.87;;-4.69;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM418245;MM418245;CCC(CC=COC)=NO;KMZYVILUOSKHIW-UHFFFAOYSA-N;143.19;1.78;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda_Na";;;;;;;0.87;;-1.99;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM418246;MM418246;C=c1ccccc1=C(C)F;FBKDYSQDIBJGKD-UHFFFAOYSA-N;136.17;1.19;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC2_SC5";;;;;;;3.6;;0.34;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM418247;MM418247;CCC1=CC(CC=O)=CC1;PUWLPFURXBRENP-UHFFFAOYSA-N;136.19;2.24;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC3_SNa";;;;;;;2.57;;0.45;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM418248;MM418248;C#CC(=O)CCC1CN1C;PXMKVWYYVLEFDL-UHFFFAOYSA-N;137.18;0.28;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNd_Na";;;;;;;0.87;;-1.88;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM418249;MM418249;C=C1CC=C(C=O)C=C1C;UQIFEHLKJJBTRS-UHFFFAOYSA-N;134.18;2.02;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNa_SC3";;;;;;;2.57;;0.45;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM418250;MM418250;CNC(CN)C1CC(N)C1;JKIDLBCJTNNYAM-UHFFFAOYSA-N;143.23;-0.73;;;;;DOPC;MDCG;27;1;"MARTINI bead: SNd_SNd";;;;;;;0.87;;-5.27;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM418251;MM418251;CCC(CC=NNC)=NN;LKMHUQYXOYUBOI-UHFFFAOYSA-N;142.21;0.31;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_P2";;;;;;;0.54;;-1.09;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM418252;MM418252;CCC1=CC(CC#N)=CC1;PTRCIRFZTCOLDX-UHFFFAOYSA-N;133.19;2.57;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC3_SC5";;;;;;;3.34;;0.48;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM418253;MM418253;C=c1ccccc1=C(F)F;OZWRAAOIRSXZPK-UHFFFAOYSA-N;140.13;1.1;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC3_SC5";;;;;;;3.34;;0.48;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM418254;MM418254;CN=C(NN)C(C)C=NN;NKGQOIDFUPHHDQ-UHFFFAOYSA-N;143.19;-0.94;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_P1";;;;;;;0.04;;-4.91;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM418255;MM418255;N=c1c(O)c[nH]nnc1=O;KRYXGQNMIZUAHR-UHFFFAOYSA-N;140.1;-1.65;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP3_SP2";;;;;;;-2.2;;-9.54;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM418256;MM418256;COC(CN)C1CC(C)C1;LCUHYFFZQXSESB-UHFFFAOYSA-N;143.23;1.01;;;;;DOPC;MDCG;27;1;"MARTINI bead: SNda_SC4";;;;;;;2.2;;-1.32;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM418257;MM418257;CCC(CC=NOC)=NN;YGSAPQFLVVVPSV-UHFFFAOYSA-N;143.19;0.73;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nd_Na";;;;;;;0.87;;-1.88;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM418258;MM418258;CN=C(NO)C(C)C=NN;UTQKLKJZHIQXQW-UHFFFAOYSA-N;144.18;-0.43;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nda_P1";;;;;;;0.04;;-3.78;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM418259;MM418259;CC1CN1C(=O)NCCO;KVPFZXKDUXFYOD-UHFFFAOYSA-N;144.17;-0.61;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP1_P3";;;;;;;-1.93;;-4.72;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM418260;MM418260;NN=c1oc(O)nn1N;OCMBLGMJLFFYBM-UHFFFAOYSA-N;131.1;-2.33;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP3_SP1";;;;;;;-1.93;;-9.01;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM418261;MM418261;C=CCC1=CCC(CN)=C1;YBAWTDKGXIUQAU-UHFFFAOYSA-N;135.21;1.78;;;;;DOPC;MDCG;27;1;"MARTINI bead: SNd_SC4";;;;;;;2.2;;-1.65;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM418262;MM418262;CCC(CN)C1CC(C)N1;LXCWCVPWFVAONH-UHFFFAOYSA-N;142.25;0.72;;;;;DOPC;MDCG;27;1;"MARTINI bead: SNd_SNd";;;;;;;0.87;;-5.46;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM418263;MM418263;CCC(CC=NOC)=NO;BPOUGLVNWSYWMZ-UHFFFAOYSA-N;144.17;1.25;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda_Na";;;;;;;0.87;;-1.99;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM418264;MM418264;CC1CC1C(C)C1(O)CC1;AYQHLFANTCHBGR-UHFFFAOYSA-N;140.23;1.8;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC3_SP1";;;;;;;1.74;;0.29;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM418265;MM418265;CC1CN1C(=O)NCCF;ZWECPFMRHCXMNO-UHFFFAOYSA-N;146.17;0.37;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP1_P2";;;;;;;-1.06;;-3.82;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM418266;MM418266;C=CCC1=CCC(CO)=C1;NHDJSRFCNLKZJC-UHFFFAOYSA-N;136.19;1.81;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNda_SC4";;;;;;;2.2;;0.49;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM418267;MM418267;C=CC1CC(=C)C(C)(O)C1;CUIPXLLTXOJHJC-UHFFFAOYSA-N;138.21;1.89;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNda_SC2";;;;;;;2.83;;0.57;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM418268;MM418268;CCC(CO)C1CC(C)N1;BXVBMCCMZWGMRB-UHFFFAOYSA-N;143.23;0.76;;;;;DOPC;MDCG;27;1;"MARTINI bead: SNda_SNd";;;;;;;0.87;;-5.05;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM418269;MM418269;NNC(=O)C(=NO)C(=O)O;VBJFQZXYULJJQB-UHFFFAOYSA-N;147.09;-2.11;;;;;DOPC;MDCG;27;0;"MARTINI bead: P4_P1";;;;;;;-2.01;;-9.01;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM418270;MM418270;NN=c1onnc(N)c1N;ZUSBOOWEXQMKGO-UHFFFAOYSA-N;142.12;-1.99;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP2_SP3";;;;;;;-2.2;;-5.19;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM418271;MM418271;CCNNC(=N)N1CC1C;DWABLPXKYDQROR-UHFFFAOYSA-N;142.21;-0.26;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1_SP1";;;;;;;-0.79;;-7.39;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM418272;MM418272;N=c1cc(NN)[nH]cc1O;FQABQHBUGHEYRD-UHFFFAOYSA-N;140.15;-0.51;;;;;DOPC;MDCG;27;1;"MARTINI bead: SNd_SP3";;;;;;;-1.1;;-7.87;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM418273;MM418273;O=CCC1=CCC(CO)=C1;KVZSGBIREGDORT-UHFFFAOYSA-N;138.17;0.82;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNda_SNa";;;;;;;0.87;;-1.99;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM418274;MM418274;CC1CC(C(CF)CF)N1;FPQNFTVEQSXLAT-UHFFFAOYSA-N;149.18;1.29;;;;;DOPC;MDCG;27;1;"MARTINI bead: SNd_SNa";;;;;;;0.87;;-4.83;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM418275;MM418275;CN=C(CC=CCF)NC;XBWXOYOMYCYHMZ-UHFFFAOYSA-N;144.19;1.15;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_Na";;;;;;;0.87;;-6.3;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM418276;MM418276;CC=C(OC)C(C)C=CF;ABSSTMVRXJYQJF-UHFFFAOYSA-N;144.19;2.66;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_C3";;;;;;;3.34;;0.48;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM418277;MM418277;Nc1nn(C2CC2)oc1=O;GQWSCVUEOVPQJM-UHFFFAOYSA-N;141.13;-0.25;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP2_SP2";;;;;;;-1.34;;-4.31;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM418278;MM418278;N#CCC1=CCC(CO)=C1;OMIBRDYIPMINEW-UHFFFAOYSA-N;135.17;1.15;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNda_SC5";;;;;;;1.64;;0.05;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM418279;MM418279;CCC(CC)C1CC(C)O1;DNUJNIHABPAQNP-UHFFFAOYSA-N;142.24;2.6;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC4_SNa";;;;;;;2.2;;0.34;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM418280;MM418280;CN=c1nc(C)c(C)no1;KCQHBIMBHDARKE-UHFFFAOYSA-N;139.16;0.22;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP2_SP1";;;;;;;-1.06;;-3.82;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM418281;MM418281;CN=C(CC=CCF)NN;QUVSCVADTNBDTC-UHFFFAOYSA-N;145.18;0.39;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_Na";;;;;;;0.87;;-4.61;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM418282;MM418282;CNc1c[nH]c(NC)c1C;PBHDDBFHEXRLOH-UHFFFAOYSA-N;139.2;1.41;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNd_SNd";;;;;;;0.87;;-2.11;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM418283;MM418283;CC1CN1C(=O)OCCN;QUAPKHGEFCVSQR-UHFFFAOYSA-N;144.17;-0.21;;;;;DOPC;MDCG;27;1;"MARTINI bead: SP1_P4";;;;;;;-2.01;;-6.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM418284;MM418284;CCC(CN)C1CC(C)O1;KPKKYYIODQPEHF-UHFFFAOYSA-N;143.23;1.15;;;;;DOPC;MDCG;27;1;"MARTINI bead: SNd_SNa";;;;;;;0.87;;-4.61;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM418285;MM418285;Cc1nc(=NN)onc1F;HNYNQZQAMCOLRA-UHFFFAOYSA-N;144.11;-0.71;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP2_SP2";;;;;;;-1.34;;-4.31;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM418286;MM418286;C=CCC1=CCC(CF)=C1;XMUXLZUXNBJPFR-UHFFFAOYSA-N;138.19;2.79;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC5_SC4";;;;;;;2.97;;0.45;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM418287;MM418287;CN=C(CC=CCF)NO;OHTGVSBGZIJLEA-UHFFFAOYSA-N;146.17;0.91;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nda_Na";;;;;;;0.87;;-3.5;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM418288;MM418288;O=CC=CNC=NOC=O;GRVLLIONBKSTCX-UHFFFAOYSA-N;142.11;-0.6;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_Na";;;;;;;-0.24;;-3.24;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM418289;MM418289;CC1CN1C(=N)NCC#N;KJTOTTZGRCJXQP-UHFFFAOYSA-N;138.17;-0.26;;;;;DOPC;MDCG;27;1;"MARTINI bead: SP1_P3";;;;;;;-1.93;;-6.26;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM418290;MM418290;CCC(CF)C1CC(C)O1;MHILPIIKYFEYGN-UHFFFAOYSA-N;146.21;2.16;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC5_SNa";;;;;;;1.64;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM418291;MM418291;CN=c1nc(F)c(C)no1;VLGCNVLZMZTMET-UHFFFAOYSA-N;143.12;0.05;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP2_SP2";;;;;;;-1.34;;-4.31;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM418292;MM418292;OCC=CCC(=NO)NO;QFDGXNGKTRDPSC-UHFFFAOYSA-N;146.15;-0.31;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda_P4";;;;;;;-1.19;;-4.91;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM418293;MM418293;O=CCC1=CCC(CF)=C1;XSGGFOVUCHSGND-UHFFFAOYSA-N;140.16;1.8;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC5_SNa";;;;;;;1.64;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM418294;MM418294;CCCNN=COCC#N;WKNJRLOFVKCTBU-UHFFFAOYSA-N;141.17;0.47;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_P1";;;;;;;0.81;;-0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM418295;MM418295;C=CCNC(=O)N1CC1C;YAYXURMEBNIBMQ-UHFFFAOYSA-N;140.19;0.59;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP1_P1";;;;;;;-0.79;;-3.13;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM418296;MM418296;CN=C(CC=COC)NC;CROLEYCHCODPKQ-UHFFFAOYSA-N;142.2;0.78;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_Na";;;;;;;0.87;;-6.25;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM418297;MM418297;Cc1noc(=NN)nc1F;CZMKXZWCFXXNDW-UHFFFAOYSA-N;144.11;-0.71;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP2_SP2";;;;;;;-1.34;;-4.31;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM418298;MM418298;CC1CC(C(CF)CF)O1;VFFUGEMXGSDRMZ-UHFFFAOYSA-N;150.17;1.72;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNa_SNa";;;;;;;0.87;;-2.22;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM418299;MM418299;N#CCC1=CCC(CF)=C1;MFXUXIIBHNSXCK-UHFFFAOYSA-N;137.16;2.13;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC5_SC5";;;;;;;2.41;;0.64;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM418300;MM418300;CC(F)c1oc(=O)oc1O;KVUOGXOZGDEAKD-UHFFFAOYSA-N;148.09;0.97;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_SP2";;;;;;;0.54;;-5.77;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM418301;MM418301;CC1CN1C(=O)NCC#N;BXRGIDRYBZSLHL-UHFFFAOYSA-N;139.16;-0.08;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP1_P3";;;;;;;-1.93;;-4.72;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM418302;MM418302;CCN(CC)C1CC(N)C1;UYYZCSJVJKRUMC-UHFFFAOYSA-N;142.25;0.82;;;;;DOPC;MDCG;27;1;"MARTINI bead: SC4_SNd";;;;;;;2.2;;-2.16;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM418303;MM418303;CNN=c1occo1;DGFOMNLPYWGTRC-UHFFFAOYSA-N;114.1;-0.09;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_SP2";;;;;;;-1.34;;-4.31;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM418304;MM418304;CN=c1nc(F)c(F)no1;SKNMMMZMRYLZCO-UHFFFAOYSA-N;147.08;-0.12;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP2_SP1";;;;;;;-1.06;;-3.82;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM418305;MM418305;C=CCC1=CCC(OC)=C1;WQKORRBUILQEBK-UHFFFAOYSA-N;136.19;2.42;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC5_SC4";;;;;;;2.97;;0.45;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM418306;MM418306;CC(O)(C#CC(=O)O)C=O;CLOYJNCZLAZHDN-UHFFFAOYSA-N;142.11;-0.98;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_P1";;;;;;;-1.06;;-8.53;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM418307;MM418307;C#CCNC(=O)N1CC1C;UNBJDHDHKPBXDR-UHFFFAOYSA-N;138.17;0.03;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP1_P2";;;;;;;-1.06;;-3.82;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM418308;MM418308;CCN(CC)C1CC(O)C1;SCKKPONYMVIBGI-UHFFFAOYSA-N;143.23;0.85;;;;;DOPC;MDCG;27;1;"MARTINI bead: SC4_SNda";;;;;;;2.2;;-1.42;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM418309;MM418309;NN=c1nc(F)c(F)no1;HJMDPOVGWQLDHC-UHFFFAOYSA-N;148.07;-0.88;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP2_SP2";;;;;;;-1.34;;-4.31;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM418310;MM418310;COC=CCC(=NO)NO;YABSYXMLEYELMG-UHFFFAOYSA-N;146.15;0.3;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_P2";;;;;;;-0.24;;-3.24;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM418311;MM418311;COC1=CC(CC=O)=CC1;NFBTXVIKEXWYAO-UHFFFAOYSA-N;138.17;1.44;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC5_SNa";;;;;;;1.64;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM418312;MM418312;C#CCOC=NNCCC;LOJQTCJUVIWBQE-UHFFFAOYSA-N;140.19;0.58;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nd_Na";;;;;;;0.87;;-1.88;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM418313;MM418313;CC=NOC(=O)C1CC1C;VPNSJQMQNBLAKM-UHFFFAOYSA-N;141.17;1.19;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_SC5";;;;;;;1.64;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM418314;MM418314;CCC(CC)C1CN(C)C1;CCZAFLUMHCFRJB-UHFFFAOYSA-N;141.26;1.98;;;;;DOPC;MDCG;27;1;"MARTINI bead: SC4_SNd";;;;;;;2.2;;-1.04;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM418315;MM418315;CCc1ccc(C)c(F)c1;DYKMICWOBLSRIW-UHFFFAOYSA-N;138.19;2.7;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC3_SC4";;;;;;;3.9;;0.47;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM418316;MM418316;CNN=CCC(=NN)NC;VJFRXJUQJLXXAI-UHFFFAOYSA-N;143.19;-0.93;;;;;DOPC;MDCG;27;1;"MARTINI bead: P2_P1";;;;;;;-1.06;;-5.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM418317;MM418317;COC1=CC(CC#N)=CC1;IEVZLNQQHRXPNK-UHFFFAOYSA-N;135.17;1.76;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC5_SC5";;;;;;;2.41;;0.64;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM418318;MM418318;CCC#CCC1NC1C=O;AUUNEWJIYSQAJN-UHFFFAOYSA-N;137.18;0.33;;;;;DOPC;MDCG;27;0;"MARTINI bead: C3_SP2";;;;;;;1.46;;-0.15;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM418319;MM418319;CN1CC(C(CN)CN)C1;UBAJNUJDQBMFDU-UHFFFAOYSA-N;143.23;-0.92;;;;;DOPC;MDCG;27;1;"MARTINI bead: SNd_SP2";;;;;;;-0.24;;-5.93;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM418320;MM418320;Cc1ccc(CN)cc1F;XCAJNBJDLZPHNB-UHFFFAOYSA-N;139.17;1.59;;;;;DOPC;MDCG;27;1;"MARTINI bead: SNd_SC4";;;;;;;2.2;;-1.2;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM418321;MM418321;CC=NOC(=N)N1CC1C;NYKPUYFWAFTLQZ-UHFFFAOYSA-N;141.17;0.65;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda_SP1";;;;;;;0.04;;-2.73;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM418322;MM418322;CC1C(O)CC2CC21;QAQLYZDDUGCDRE-UHFFFAOYSA-N;112.17;1.02;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNda_SC4";;;;;;;2.2;;0.49;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM418323;MM418323;CCC1=CC(NC=N)=CC1;MCMMTKCNYMJWMI-UHFFFAOYSA-N;136.2;1.81;;;;;DOPC;MDCG;27;1;"MARTINI bead: SC3_SNd";;;;;;;2.57;;-2.05;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM418324;MM418324;Cc1c[nH]cc1N;AMCHKZCGZRZMDF-UHFFFAOYSA-N;96.13;0.91;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNd_SP1";;;;;;;0.04;;-2.63;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM418325;MM418325;COC(CN)C1CN(C)C1;AZADQIIUKVCYBD-UHFFFAOYSA-N;144.22;-0.48;;;;;DOPC;MDCG;27;1;"MARTINI bead: SP2_SNd";;;;;;;-0.24;;-5.27;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM418326;MM418326;CNc1ccc(C)c(F)c1;IVABRVITTMQVHT-UHFFFAOYSA-N;139.17;2.18;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC5_SC4";;;;;;;2.97;;0.45;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM418327;MM418327;CC=NOC(=O)N1CC1C;IMCRLHCAGVRZOC-UHFFFAOYSA-N;142.16;0.83;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_SP1";;;;;;;0.04;;-2.54;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM418328;MM418328;CC(C)(C)CC1(O)CC1;KLWZPTZLBGKIER-UHFFFAOYSA-N;128.22;1.95;;;;;DOPC;MDCG;27;0;"MARTINI bead: C3_SNda";;;;;;;2.57;;0.44;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM418329;MM418329;CCC1=CC(NC=O)=CC1;XOYYNBDTSMUQLQ-UHFFFAOYSA-N;137.18;1.36;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC3_SNda";;;;;;;2.57;;0.44;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM418330;MM418330;CN(C=CF)C(CO)=NO;JCLIMPXLGRCNGV-UHFFFAOYSA-N;148.14;0.14;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_P3";;;;;;;-0.33;;-2.01;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM418331;MM418331;COc1ccc(C)c(F)c1;WQOHEWKWIJOAHQ-UHFFFAOYSA-N;140.16;2.14;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC5_SC4";;;;;;;2.97;;0.45;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM418332;MM418332;CCN(CC)C1CN(C)C1;GDOBCBSDFXQLKD-UHFFFAOYSA-N;142.25;0.64;;;;;DOPC;MDCG;27;1;"MARTINI bead: SNd_SNd";;;;;;;0.87;;-3.41;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM418333;MM418333;C=CC=CC(F)C1CC1C;ORWDXUSPQFOHJW-UHFFFAOYSA-N;140.2;2.72;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC5_C3";;;;;;;3.34;;0.48;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM418334;MM418334;CNN=CCC(=NO)NO;DIAZQZPWOOCKNB-UHFFFAOYSA-N;146.15;-0.65;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_P2";;;;;;;-1.34;;-4.31;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM418335;MM418335;N=CNC1=CCC(CN)=C1;CCMDYAQVKXEBOD-UHFFFAOYSA-N;137.19;0.36;;;;;DOPC;MDCG;27;1;"MARTINI bead: SNd_SNd";;;;;;;0.87;;-5.45;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM418336;MM418336;COc1cc(=N)c(O)c[nH]1;ZGZSQIXTOGHLKA-UHFFFAOYSA-N;140.14;0.21;;;;;DOPC;MDCG;27;1;"MARTINI bead: SNda_SP3";;;;;;;-1.1;;-7.49;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM418337;MM418337;CC=CN(N)C(CO)=NO;PJQXCPXISDKRDC-UHFFFAOYSA-N;145.16;-0.52;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nd_P2";;;;;;;-0.24;;-3.16;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM418338;MM418338;CCC(CO)N1CC(C)C1;HPGDGLRRXBTTMS-UHFFFAOYSA-N;143.23;0.71;;;;;DOPC;MDCG;27;1;"MARTINI bead: SNda_SP1";;;;;;;0.04;;-4.67;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM418339;MM418339;CC1CC1C(F)C=CC#N;WZTKDFRDJBVNAX-UHFFFAOYSA-N;139.17;2.06;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC5_Na";;;;;;;1.64;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM418340;MM418340;CC=C(CC=CCC)OC;ZDTQBSIIAGWWHJ-UHFFFAOYSA-N;140.23;2.89;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1_C5";;;;;;;3.68;;0.46;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM418341;MM418341;N=CNC1=CCC(CO)=C1;JYGCKKUZPLXVFC-UHFFFAOYSA-N;138.17;0.39;;;;;DOPC;MDCG;27;1;"MARTINI bead: SNda_SNd";;;;;;;0.87;;-5.21;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM418342;MM418342;C=CCCC(C)(C)O;RVHXDRXNRJQLGG-UHFFFAOYSA-N;114.19;1.72;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda_C3";;;;;;;2.57;;0.44;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM418343;MM418343;Cc1cnc(CF)nc1F;MCJWOOIXVFXWMC-UHFFFAOYSA-N;144.12;1.39;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNa_SNa";;;;;;;0.87;;-2.22;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM418344;MM418344;CC1CN(C(CO)CO)C1;PVEVNFMLRKUTCW-UHFFFAOYSA-N;145.2;-0.71;;;;;DOPC;MDCG;27;1;"MARTINI bead: SP1_SP1";;;;;;;-0.79;;-4.3;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM418345;MM418345;CC1NC1C(F)C=CC=O;PUGPPOUMNBONOY-UHFFFAOYSA-N;143.16;0.44;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP1_Na";;;;;;;0.04;;-2.54;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM418346;MM418346;CC=C(CC=CCN)OC;XXVDFSXKLRDBFP-UHFFFAOYSA-N;141.21;1.44;;;;;DOPC;MDCG;27;1;"MARTINI bead: C3_P1";;;;;;;1.74;;-1.57;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM418347;MM418347;N=CNC1=CCC(CF)=C1;RZMIEZXQXUTQSW-UHFFFAOYSA-N;140.16;1.37;;;;;DOPC;MDCG;27;1;"MARTINI bead: SC5_SNd";;;;;;;1.64;;-3.18;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM418348;MM418348;C=Cc1ccc(C)c(F)c1;PBRPHTJRKPUUDM-UHFFFAOYSA-N;136.17;2.78;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC4_SC4";;;;;;;3.53;;0.53;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM418349;MM418349;O=CCNCC(F)F;QKOAGZXPKGZLTI-UHFFFAOYSA-N;123.1;0.04;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_Na";;;;;;;-0.24;;-3.24;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM418350;MM418350;CC=C(CC=CCO)OC;CUUBEIMDCPCPEP-UHFFFAOYSA-N;142.2;1.48;;;;;DOPC;MDCG;27;0;"MARTINI bead: C3_Nda";;;;;;;2.57;;0.44;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM418351;MM418351;COC1=CC(NC=N)=CC1;DMDMWOZYISFJRJ-UHFFFAOYSA-N;138.17;1;;;;;DOPC;MDCG;27;1;"MARTINI bead: SC5_SNd";;;;;;;1.64;;-2.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM418352;MM418352;C#CC=CC(F)C1NC1C;MYLSWGIQWHDGMH-UHFFFAOYSA-N;139.17;0.87;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP1_C5";;;;;;;0.81;;-0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM418353;MM418353;C=CC(CN)C1CC(N)C1;IBADPGWDMPIQRU-UHFFFAOYSA-N;140.23;0.48;;;;;DOPC;MDCG;27;1;"MARTINI bead: SC5_SNd";;;;;;;1.64;;-2.98;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM418354;MM418354;C=NNC=C(C)C#N;YCRYQRUMMNTIND-UHFFFAOYSA-N;109.13;0.62;;;;;DOPC;MDCG;27;0;"MARTINI bead: N0_P1";;;;;;;0.34;;-1.53;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM418355;MM418355;Cc1ccc(C=O)cc1F;UFPBMVRONDLOGK-UHFFFAOYSA-N;138.14;1.95;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC5_SC4";;;;;;;2.97;;0.45;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM418356;MM418356;CC=C(CC=CCF)OC;HAQRZBMYDKIFIP-UHFFFAOYSA-N;144.19;2.45;;;;;DOPC;MDCG;27;0;"MARTINI bead: C3_Na";;;;;;;2.57;;0.45;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM418357;MM418357;CCC#CC(C)C1CC1C;YHXUQUUJCKNAEH-UHFFFAOYSA-N;136.24;2.69;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1_SC5";;;;;;;3.68;;0.46;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM418358;MM418358;COC1=CC(NC=O)=CC1;NSBFEAZVTGAOGC-UHFFFAOYSA-N;139.15;0.55;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC5_SNda";;;;;;;1.64;;0.05;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM418359;MM418359;CCN(C=N)C1CC(C)C1;NHDIZLVRHJZKNH-UHFFFAOYSA-N;140.23;1.71;;;;;DOPC;MDCG;27;1;"MARTINI bead: SNd_SC4";;;;;;;2.2;;-3.44;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM418360;MM418360;NN=C(CF)N(O)C=CF;PZQJFOROGOIBNL-UHFFFAOYSA-N;151.12;0.36;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_C5";;;;;;;0.54;;-1.09;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM418361;MM418361;COC(=CF)CC=CCN;AOTAGRQPDFIXKW-UHFFFAOYSA-N;145.18;1.35;;;;;DOPC;MDCG;27;1;"MARTINI bead: C5_P1";;;;;;;0.81;;-2.73;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM418362;MM418362;Cc1ccc(C=O)nc1F;QIGAKAWAFCIOPB-UHFFFAOYSA-N;139.13;1.34;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNa_SNa";;;;;;;0.87;;-2.22;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM418363;MM418363;CCC#CC(F)C1CC1C;FQGDRGFCBLVNNV-UHFFFAOYSA-N;140.2;2.39;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4_SC5";;;;;;;2.97;;0.45;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM418364;MM418364;C=COC1=CCC(CC)=C1;IZOWVFQNWBLYEF-UHFFFAOYSA-N;136.19;2.77;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC3_SC4";;;;;;;3.9;;0.47;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM418365;MM418365;CCN(C=O)C1CC(F)C1;IXMPMHWLRPNCDR-UHFFFAOYSA-N;145.18;0.97;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNda_SC5";;;;;;;1.64;;0.05;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM418366;MM418366;Cc1c[nH]c(C)c1N;IMNSKTAAUACXNT-UHFFFAOYSA-N;110.16;1.21;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNd_SNd";;;;;;;0.87;;-2.11;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM418367;MM418367;COC(=CF)CC=CCO;XLNIMTLJDFTXON-UHFFFAOYSA-N;146.16;1.38;;;;;DOPC;MDCG;27;0;"MARTINI bead: N0_Nda";;;;;;;1.17;;-1.13;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM418368;MM418368;Cc1cnc(C=O)nc1F;WDQDMJCXNVWJLF-UHFFFAOYSA-N;140.12;0.74;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNa_SNa";;;;;;;0.87;;-2.22;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM418369;MM418369;CC1NC1C(F)C#CCN;XBMHOGHAXBMKKV-UHFFFAOYSA-N;142.18;-0.35;;;;;DOPC;MDCG;27;1;"MARTINI bead: SP1_Nda";;;;;;;0.04;;-4.11;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM418370;MM418370;C=COC1=CCC(CN)=C1;MNXPUOUALNTXJY-UHFFFAOYSA-N;137.18;1.32;;;;;DOPC;MDCG;27;1;"MARTINI bead: SNd_SC4";;;;;;;2.2;;-1.65;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM418371;MM418371;C=NN(CC)C1CC(C)C1;ACRCALMZGFJLIP-UHFFFAOYSA-N;140.23;1.72;;;;;DOPC;MDCG;27;0;"MARTINI bead: SN0_SC4";;;;;;;2.5;;0.44;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM418372;MM418372;COC(=CF)CC=CCF;CYVLSOBJBARLND-UHFFFAOYSA-N;148.15;2.36;;;;;DOPC;MDCG;27;0;"MARTINI bead: N0_C4";;;;;;;2.5;;0.44;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM418373;MM418373;CC(C)=C(C)C(C)(C)O;OXCMNDCOGRIXIW-UHFFFAOYSA-N;128.22;2.11;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1_Nda";;;;;;;2.91;;0.57;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM418374;MM418374;CC1OC1C(F)C#CCN;DBNGNPQYKZYJQD-UHFFFAOYSA-N;143.16;0.07;;;;;DOPC;MDCG;27;1;"MARTINI bead: SNa_Nda";;;;;;;0.87;;-3.37;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM418375;MM418375;COC1CCC(C)=C(C)C1;OEEXNPULCUTYIZ-UHFFFAOYSA-N;140.23;2.52;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC5_SC1";;;;;;;3.68;;0.46;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM418376;MM418376;C=COC1=CCC(CO)=C1;KXEKKYIXJNEFCN-UHFFFAOYSA-N;138.17;1.35;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNda_SC4";;;;;;;2.2;;0.49;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM418377;MM418377;C=NN(CC)C1CC(N)C1;VUVFGRRTBGSDDA-UHFFFAOYSA-N;141.22;0.41;;;;;DOPC;MDCG;27;1;"MARTINI bead: SN0_SNd";;;;;;;1.17;;-3.48;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM418378;MM418378;CC=C(CC=NNC)OC;QEKDVUZSNZGTMF-UHFFFAOYSA-N;142.2;1.13;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_C3";;;;;;;1.46;;-0.15;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM418379;MM418379;C=CC(C)(O)CC(C)C;AOOGNPSUQVRFMF-UHFFFAOYSA-N;128.22;1.97;;;;;DOPC;MDCG;27;0;"MARTINI bead: C3_Nda";;;;;;;2.57;;0.44;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM418380;MM418380;COC1CCC(F)=C(C)O1;DGFLPCFUCMLLEP-UHFFFAOYSA-N;146.16;1.97;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNa_SNa";;;;;;;0.87;;-2.22;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM418381;MM418381;C=CC#CC(N)C1CC1C;YHCLRAGXBXASFG-UHFFFAOYSA-N;135.21;1.16;;;;;DOPC;MDCG;27;1;"MARTINI bead: SC5_Nd";;;;;;;1.64;;-1.57;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM418382;MM418382;C=COC1=CCC(CF)=C1;QEGBBJRVIBYXGG-UHFFFAOYSA-N;140.16;2.33;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC5_SC4";;;;;;;2.97;;0.45;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM418383;MM418383;CCn1nnc(N)c1N;BVCHCBCMYFHOCM-UHFFFAOYSA-N;127.15;-0.54;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP1_SP2";;;;;;;-1.06;;-3.82;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM418384;MM418384;CNN=CCC(=CF)OC;COYIXQKJJQCRBO-UHFFFAOYSA-N;146.17;1.04;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_C5";;;;;;;0.54;;-1.09;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM418385;MM418385;C=CC#CC(O)C1CC1C;HDNRXJYIUZZPRO-UHFFFAOYSA-N;136.19;1.19;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC5_Nda";;;;;;;1.64;;0.05;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM418386;MM418386;CCC(C)(O)C=C(C)C;XQAVXPWVZUMWMB-UHFFFAOYSA-N;128.22;2.11;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda_C4";;;;;;;2.2;;0.49;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM418387;MM418387;C=CC1CCC(C)=C(C)C1;JWTIFYFTDZFHPW-UHFFFAOYSA-N;136.24;3.31;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC1_SC2";;;;;;;4.87;;0.53;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM418388;MM418388;C=COC1=CCC(OC)=C1;HVEIXVNTAQSJKJ-UHFFFAOYSA-N;138.17;1.96;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC5_SC4";;;;;;;2.97;;0.45;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM418389;MM418389;C=NN(CC)C1CC(F)C1;PGQXCSFMTJYYQO-UHFFFAOYSA-N;144.19;1.42;;;;;DOPC;MDCG;27;0;"MARTINI bead: SN0_SC5";;;;;;;1.94;;0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM418390;MM418390;CC1CC1C(O)C#CC#N;VYISSAUTRMSSSN-UHFFFAOYSA-N;135.17;0.53;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC5_P1";;;;;;;0.81;;-0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM418391;MM418391;CC1=C(F)CC(C=O)CC1;CYUGRQBAZDSBQY-UHFFFAOYSA-N;142.17;2.23;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC4_SNa";;;;;;;2.2;;0.34;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM418392;MM418392;CC=C(CC=NOC)OC;XUTSYZOUXHYYMW-UHFFFAOYSA-N;143.19;1.56;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_C3";;;;;;;1.74;;0.29;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM418393;MM418393;CC=CCCC(C)(C)O;BZBFCIFBIAKGGK-UHFFFAOYSA-N;128.22;2.11;;;;;DOPC;MDCG;27;0;"MARTINI bead: C2_Nda";;;;;;;2.83;;0.57;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM418394;MM418394;C=CCc1c[nH]c(CC)c1;IAKVMWQDVUDZBE-UHFFFAOYSA-N;135.21;2.31;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC5_SC5";;;;;;;2.41;;0.64;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM418395;MM418395;CNN(C=N)C1CC(C)C1;IWYJIHMHKLUMEP-UHFFFAOYSA-N;141.22;0.83;;;;;DOPC;MDCG;27;1;"MARTINI bead: SP1_SC4";;;;;;;1.37;;-2.21;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM418396;MM418396;CC1=C(C)OCC(C#N)C1;FIFKNDRZQDWILV-UHFFFAOYSA-N;137.18;1.84;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC4_SN0";;;;;;;2.5;;0.44;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM418397;MM418397;CC1CC1C(F)C#CC#N;VTNUYFBMLSAEHO-UHFFFAOYSA-N;137.16;1.51;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC5_Na";;;;;;;1.64;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM418398;MM418398;CON=CCC(=CF)OC;MIKUTXKLFNVQCY-UHFFFAOYSA-N;147.15;1.47;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_C5";;;;;;;0.81;;-0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM418399;MM418399;CC(C)(O)CCC=CF;BANYHXUBJGVMHE-UHFFFAOYSA-N;132.18;2.02;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda_C4";;;;;;;2.2;;0.49;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM418400;MM418400;CCc1cc(CC=O)c[nH]1;DCJXFTONAINKEE-UHFFFAOYSA-N;137.18;1.32;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC5_SNa";;;;;;;1.64;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM418401;MM418401;CNN(C=N)C1CC(N)C1;SLEBSGSPKZIJLF-UHFFFAOYSA-N;142.21;-0.48;;;;;DOPC;MDCG;27;1;"MARTINI bead: SP1_SNd";;;;;;;0.04;;-5;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM418402;MM418402;C=CC#CC(F)C1CC1N;RFFRBEOSIFSGTI-UHFFFAOYSA-N;139.17;0.86;;;;;DOPC;MDCG;27;1;"MARTINI bead: SP1_C4";;;;;;;1.37;;-2.46;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM418403;MM418403;C=CC1CCC(C)=C(C)O1;OPHQUADWFNIGQR-UHFFFAOYSA-N;138.21;2.65;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC4_SC4";;;;;;;3.53;;0.53;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM418404;MM418404;CCc1cc(CC#N)c[nH]1;TTXTVZBXMKOLTA-UHFFFAOYSA-N;134.18;1.64;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC5_SN0";;;;;;;1.94;;0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM418405;MM418405;CC=NNC=CC(C)=O;LPJUILOVVLCNKS-UHFFFAOYSA-N;126.16;0.68;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nd_Na";;;;;;;0.87;;-1.88;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM418406;MM418406;CNN(C=O)C1CC(N)C1;HVJSQYFMCSHWME-UHFFFAOYSA-N;143.19;-0.93;;;;;DOPC;MDCG;27;1;"MARTINI bead: SP1_SNd";;;;;;;0.04;;-4.97;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM418407;MM418407;NN=CN(N)C(CO)=NO;IMEOAFOVDPLWSO-UHFFFAOYSA-N;147.14;-2.16;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_P4";;;;;;;-2.01;;-5.13;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM418408;MM418408;C=CC1NC1C=O;INEJPNKFSPVPBE-UHFFFAOYSA-N;97.12;-0.29;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP1_P2";;;;;;;-1.06;;-3.82;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM418409;MM418409;CC1=C(C)OC(C=O)CC1;RANVFYRXCLLNIS-UHFFFAOYSA-N;140.18;1.66;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC4_SNa";;;;;;;2.2;;0.34;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM418410;MM418410;C=CCc1c[nH]c(CN)c1;BGMJTJJYWFMQQR-UHFFFAOYSA-N;136.2;1.2;;;;;DOPC;MDCG;27;1;"MARTINI bead: SP1_SC5";;;;;;;0.81;;-1.91;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM418411;MM418411;COC=CCC(=NO)OC;PUKUGCUPTNYHQK-UHFFFAOYSA-N;145.16;0.97;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_Nda";;;;;;;0.87;;-1.99;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM418412;MM418412;CN(C=O)N=C(N)C=O;ZSRWZXNEDOWTAJ-UHFFFAOYSA-N;129.12;-1.45;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_P2";;;;;;;-1.34;;-4.31;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM418413;MM418413;CNN(C=N)C1CC(O)C1;XANUQYRFTWCPOX-UHFFFAOYSA-N;143.19;-0.45;;;;;DOPC;MDCG;27;1;"MARTINI bead: SP1_SNda";;;;;;;0.04;;-4.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM418414;MM418414;C=NN=C(CC)NC;XMBBHWWTUKZSDY-UHFFFAOYSA-N;113.16;0.63;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_P1";;;;;;;0.81;;-0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM418416;MM418416;C=CCc1c[nH]c(CO)c1;HWSDNECXCCVFEF-UHFFFAOYSA-N;137.18;1.24;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNda_SC5";;;;;;;1.64;;0.05;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM418415;MM418415;CC1=C(C)OC(C#N)CC1;ZQECWQZYPOZCTL-UHFFFAOYSA-N;137.18;1.98;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC4_SNa";;;;;;;2.2;;0.34;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM418418;MM418418;CNN=CCC(=NO)OC;BSYOTMKFEZXXCH-UHFFFAOYSA-N;145.16;0.02;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_Nda";;;;;;;-0.24;;-3.31;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM418417;MM418417;CCOC=NNC(C)C;PZKFKEZPCUQSSP-UHFFFAOYSA-N;130.19;0.96;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_Nd";;;;;;;0.87;;-1.88;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM418419;MM418419;CNN(C=O)C1CC(F)C1;FTRDKXSZLBSWQG-UHFFFAOYSA-N;146.17;0.08;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP1_SC5";;;;;;;0.81;;-0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM418420;MM418420;C=NNC=NC=CF;XUPPRTMFWGULIZ-UHFFFAOYSA-N;115.11;0.66;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_P2";;;;;;;0.54;;-1.09;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM418421;MM418421;CC1=C(C)CN(C=N)CC1;CSILQEROACJJCK-UHFFFAOYSA-N;138.21;1.64;;;;;DOPC;MDCG;27;1;"MARTINI bead: SN0_SNd";;;;;;;1.17;;-4.7;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM418422;MM418422;C=C(C#N)CNCC=O;JCHQJYXVIUZJQN-UHFFFAOYSA-N;124.14;-0.15;;;;;DOPC;MDCG;27;0;"MARTINI bead: N0_P5";;;;;;;-0.81;;-4.41;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM418423;MM418423;CON(C=N)C1CC(N)C1;JKZUOGYCWDESMO-UHFFFAOYSA-N;143.19;-0.05;;;;;DOPC;MDCG;27;1;"MARTINI bead: SNda_SNd";;;;;;;0.87;;-3.79;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM418424;MM418424;O=CCc1c[nH]c(CO)c1;YHHNWYJEDIAYPS-UHFFFAOYSA-N;139.15;0.25;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNda_SNa";;;;;;;0.87;;-1.99;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM418425;MM418425;CC=C(CC)NC=NCC;JVKKALLPSNYOCO-UHFFFAOYSA-N;140.23;1.94;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_C1";;;;;;;2.91;;-0.63;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM418426;MM418426;CC(C#CC#N)C1CN1C;JFWNDHKUFQNMQR-UHFFFAOYSA-N;134.18;0.46;;;;;DOPC;MDCG;27;0;"MARTINI bead: N0_SP1";;;;;;;0.34;;-1.53;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM418427;MM418427;CON(C=O)C1CC(N)C1;XJPXQFUXFSPKFK-UHFFFAOYSA-N;144.17;-0.5;;;;;DOPC;MDCG;27;1;"MARTINI bead: SNa_SNd";;;;;;;0.87;;-4.23;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM418428;MM418428;CC1=C(C)CN(C=O)CC1;IBLFWVHUNJLMFK-UHFFFAOYSA-N;139.2;1.18;;;;;DOPC;MDCG;27;0;"MARTINI bead: SN0_SNda";;;;;;;1.17;;-1.13;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM418429;MM418429;C=CC(=O)C(=N)NN=C;RZUHPAVCOYUULA-UHFFFAOYSA-N;125.13;-0.08;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_P2";;;;;;;-0.24;;-3.24;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM418430;MM418430;N#CCc1c[nH]c(CO)c1;HGDJXJLJMPDVRD-UHFFFAOYSA-N;136.15;0.57;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNda_SN0";;;;;;;1.17;;-1.13;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM418431;MM418431;CC=C(CN)NC=NCC;SLMPDZKJJBFLMR-UHFFFAOYSA-N;141.22;0.49;;;;;DOPC;MDCG;27;1;"MARTINI bead: C5_P2";;;;;;;0.54;;-3.7;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM418432;MM418432;CCC=NN=CCF;RSCIWBOYTBNNHU-UHFFFAOYSA-N;116.14;1.42;;;;;DOPC;MDCG;27;0;"MARTINI bead: N0_C5";;;;;;;1.94;;0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM418433;MM418433;CCN(C=N)C1CN(C)C1;ZBUKGKWSCNYORO-UHFFFAOYSA-N;141.22;0.23;;;;;DOPC;MDCG;27;1;"MARTINI bead: SP2_SNd";;;;;;;-0.24;;-6.57;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM418434;MM418434;CC1=C(F)CCN(C=N)C1;FWHVADZSZVXLFW-UHFFFAOYSA-N;142.18;1.54;;;;;DOPC;MDCG;27;1;"MARTINI bead: SNa_SNd";;;;;;;0.87;;-5.43;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM418435;MM418435;Cc1[nH]c(N)c(C)c1N;NHNLXCDIEUEEKK-UHFFFAOYSA-N;125.18;0.8;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP1_SNd";;;;;;;0.04;;-2.63;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM418436;MM418436;C=CCc1c[nH]c(CF)c1;UOJBLQXDLJVRCS-UHFFFAOYSA-N;139.17;2.21;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNda_SC5";;;;;;;1.64;;0.05;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM418437;MM418437;CC=C(CO)NC=NCC;WVJXEWZVALLKLM-UHFFFAOYSA-N;142.2;0.52;;;;;DOPC;MDCG;27;1;"MARTINI bead: C5_P1";;;;;;;0.81;;-2.91;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM418438;MM418438;C=CC=NN=CCF;ALWCQLMWXBPXAH-UHFFFAOYSA-N;114.12;1.2;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_C4";;;;;;;1.37;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM418439;MM418439;CNN(C=N)C1CN(C)C1;PNBLMOBRLCFQFZ-UHFFFAOYSA-N;142.21;-0.66;;;;;DOPC;MDCG;27;1;"MARTINI bead: SP3_SNd";;;;;;;-1.1;;-5.61;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM418440;MM418440;CC1=C(F)CCN(C=O)C1;XAMGQWJIADNDGM-UHFFFAOYSA-N;143.16;1.09;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNa_SNda";;;;;;;0.87;;-1.99;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM418441;MM418441;N=C1OC(=NN)CN1N;OSMRNCFBUDZKNP-UHFFFAOYSA-N;129.12;-1.6;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP2_SP2";;;;;;;-1.34;;-4.31;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM418442;MM418442;O=CCc1c[nH]c(CF)c1;UQGBHMDOHWPMNW-UHFFFAOYSA-N;141.15;1.23;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNda_SNa";;;;;;;0.87;;-1.99;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM418443;MM418443;CC=C(CF)NC=NCC;CPOWUECEGYBDJH-UHFFFAOYSA-N;144.19;1.5;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_C4";;;;;;;2.2;;-1.76;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM418444;MM418444;C=CCC(C)C(C)(C)O;GRCJVLMUNHFVRD-UHFFFAOYSA-N;128.22;1.97;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1_Nda";;;;;;;2.91;;0.57;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM418445;MM418445;C=CN(C=N)C1CC(C)C1;HGVQCUISUJLRQZ-UHFFFAOYSA-N;138.21;1.84;;;;;DOPC;MDCG;27;1;"MARTINI bead: SC4_SNd";;;;;;;2.2;;-3.03;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM418446;MM418446;CC1=C(F)CN(C=N)CC1;LMQJAXMOIOJSKA-UHFFFAOYSA-N;142.18;1.54;;;;;DOPC;MDCG;27;1;"MARTINI bead: SNa_SNd";;;;;;;0.87;;-4.82;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM418447;MM418447;C#Cc1nc(N)c(N)o1;OAIFOISCHYRHHH-UHFFFAOYSA-N;123.12;-0.18;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNa_SP1";;;;;;;0.04;;-2.54;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM418448;MM418448;N#CCc1c[nH]c(CF)c1;IFWYRISIEPNVJK-UHFFFAOYSA-N;138.15;1.55;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNda_SN0";;;;;;;1.17;;-1.13;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM418449;MM418449;C=CCCC(C)(O)CC;NHEPUTZWBISVJH-UHFFFAOYSA-N;128.22;2.11;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda_C3";;;;;;;2.57;;0.44;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM418450;MM418450;CC=C(CF)NC=NOC;ODWKAQKDAZMKII-UHFFFAOYSA-N;146.17;1.04;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_C4";;;;;;;1.09;;-0.37;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM418451;MM418451;C=NN1CCC(C)=C(C)C1;MSZMVOSDAXPTBH-UHFFFAOYSA-N;138.21;1.64;;;;;DOPC;MDCG;27;0;"MARTINI bead: SN0_SN0";;;;;;;1.47;;-0.05;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM418452;MM418452;C=CN(C=O)C1CC(C)C1;RSMTYKACVRUCHH-UHFFFAOYSA-N;139.2;1.39;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC4_SNda";;;;;;;2.2;;0.49;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM418453;MM418453;C=NN=C1C=CC(C)C1;VOMADKMYNJRQOW-UHFFFAOYSA-N;122.17;1.64;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC4_SC5";;;;;;;2.97;;0.45;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM418454;MM418454;C=C(OC=NN)C(C)=NN;QGLKKLIFRWYJOS-UHFFFAOYSA-N;142.16;-0.25;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nd_Nda";;;;;;;0.87;;-1.92;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM418455;MM418455;C#CC#CC(O)C1CC1C;QCUUQUKIHUOPHM-UHFFFAOYSA-N;134.18;0.64;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC5_Nda";;;;;;;1.64;;0.05;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM418456;MM418456;C=NN1CCC(F)=C(C)C1;NJZUADWQTWNROL-UHFFFAOYSA-N;142.18;1.55;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNa_SN0";;;;;;;1.17;;-1.18;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM418457;MM418457;CCC=CN=C(CC)NC;NXKYEDLFYSNYRT-UHFFFAOYSA-N;140.23;1.94;;;;;DOPC;MDCG;27;1;"MARTINI bead: C3_Nd";;;;;;;2.57;;-3.16;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM418458;MM418458;CC1CC(N(C=N)C=N)C1;AXEWTVJEGOHDTO-UHFFFAOYSA-N;139.2;1.3;;;;;DOPC;MDCG;27;1;"MARTINI bead: SC4_SNd";;;;;;;2.2;;-1.17;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM418459;MM418459;CN=C(CO)N(O)C=NO;GQSCTMXUTMCWJI-UHFFFAOYSA-N;147.13;-0.88;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_P1";;;;;;;-1.06;;-3.82;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM418460;MM418460;CON=CC(F)C(C)OC;SBJGMZYIHYMVTE-UHFFFAOYSA-N;149.17;0.99;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_Na";;;;;;;0.87;;-2.22;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM418461;MM418461;C#CC#CC(F)C1CC1C;ZIJJVELTJVBLFE-UHFFFAOYSA-N;136.17;1.62;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC5_C5";;;;;;;2.41;;0.64;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM418462;MM418462;CC=C1CCC(C)=C(C)C1;BDCUFCFZKXCWSK-UHFFFAOYSA-N;136.24;3.45;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC1_SC1";;;;;;;4.95;;0.69;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM418463;MM418463;CCC=CN=C(CC)NN;CUFUEUZPWLVDHH-UHFFFAOYSA-N;141.22;1.18;;;;;DOPC;MDCG;27;1;"MARTINI bead: C3_P1";;;;;;;1.74;;-2.11;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM418464;MM418464;N=CN(C=N)C1CC(N)C1;SZEQOSYTOMSJMP-UHFFFAOYSA-N;140.19;-0.01;;;;;DOPC;MDCG;27;1;"MARTINI bead: SNd_SNd";;;;;;;0.87;;-4.03;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM418465;MM418465;CCc1[nH]cc(N)c1C;DNBDUBWJFWNGHM-UHFFFAOYSA-N;124.19;1.47;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC5_SNd";;;;;;;1.64;;0.02;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM418466;MM418466;COC(C)=C(C)OC=NN;XAQVFXATVMIPON-UHFFFAOYSA-N;144.17;0.8;;;;;DOPC;MDCG;27;0;"MARTINI bead: C3_P3";;;;;;;0.6;;-0.8;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM418467;MM418467;C#CC#CC(C)C1CC1N;GKXFWSQOKFGWFX-UHFFFAOYSA-N;133.19;0.61;;;;;DOPC;MDCG;27;1;"MARTINI bead: C2_SP1";;;;;;;2;;-1.24;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM418468;MM418468;CCC=CN=C(CC)NO;CRHXMUBPSVFTMD-UHFFFAOYSA-N;142.2;1.7;;;;;DOPC;MDCG;27;1;"MARTINI bead: C3_P2";;;;;;;1.46;;-1.6;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM418469;MM418469;CC1=C(C)CC(=CF)CC1;SVOLSOGKVFHISN-UHFFFAOYSA-N;140.2;3.36;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC1_SC4";;;;;;;4.24;;0.42;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM418470;MM418470;NN=C(CO)N(O)C=NO;SMPFTNPLYYVESB-UHFFFAOYSA-N;148.12;-1.64;;;;;DOPC;MDCG;27;0;"MARTINI bead: P5_P1";;;;;;;-1.94;;-5.95;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM418471;MM418471;C=CN(C=N)C1CC(O)C1;LTRFPYVECAGAJJ-UHFFFAOYSA-N;140.19;0.56;;;;;DOPC;MDCG;27;1;"MARTINI bead: SNda_SNd";;;;;;;0.87;;-5.44;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM418472;MM418472;C=CCc1c[nH]c(OC)c1;KNZPGRGZJQDIPH-UHFFFAOYSA-N;137.18;1.75;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNda_SC5";;;;;;;1.64;;0.05;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM418473;MM418473;C#CC#CC(O)C1CC1N;FEHWBHLATJYZND-UHFFFAOYSA-N;135.17;-0.67;;;;;DOPC;MDCG;27;1;"MARTINI bead: SP1_Nda";;;;;;;0.04;;-4.95;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM418474;MM418474;CN=C(CN)NC=CCN;SCIBXZJYQNOTIQ-UHFFFAOYSA-N;142.21;-0.96;;;;;DOPC;MDCG;27;1;"MARTINI bead: P3_P1";;;;;;;-1.93;;-7.3;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM418475;MM418475;CC=C1CCC(F)=C(C)C1;NUPQEVHBZFALPC-UHFFFAOYSA-N;140.2;3.36;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC1_SC4";;;;;;;4.24;;0.42;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM418476;MM418476;C=NNCC(C#N)=CN;CGDYQQQRALPXOJ-UHFFFAOYSA-N;124.15;-0.44;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_P1";;;;;;;-0.79;;-3.13;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM418477;MM418477;N=CN(C=N)C1CC(O)C1;FHSGDMWMSQTZPR-UHFFFAOYSA-N;141.17;0.03;;;;;DOPC;MDCG;27;1;"MARTINI bead: SNda_SNd";;;;;;;0.87;;-3.56;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM418478;MM418478;COc1cc(CC=O)c[nH]1;WPBLTIYIABGCBI-UHFFFAOYSA-N;139.15;0.76;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNda_SNa";;;;;;;0.87;;-1.99;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM418479;MM418479;CN=C(CN)NC=CCO;BUWFDEJVMPGULF-UHFFFAOYSA-N;143.19;-0.93;;;;;DOPC;MDCG;27;1;"MARTINI bead: P2_P2";;;;;;;-1.34;;-6.81;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM418480;MM418480;C#CC#CC(F)C1CC1N;RCDMNBJWXJMFGP-UHFFFAOYSA-N;137.16;0.31;;;;;DOPC;MDCG;27;1;"MARTINI bead: SP1_C5";;;;;;;0.81;;-3;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM418481;MM418481;C=CC(C#N)=NNCC;QXWKZUXWDNQUTH-UHFFFAOYSA-N;123.16;0.66;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nd_N0";;;;;;;1.17;;-1.04;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM418482;MM418482;CC1=C(F)CCC(=CF)C1;VQNNNNVFQHCTJO-UHFFFAOYSA-N;144.16;3.27;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC4_SC4";;;;;;;3.53;;0.53;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM418483;MM418483;C=CN(C=N)C1CC(F)C1;AUCUIDZXGLSLIF-UHFFFAOYSA-N;142.18;1.54;;;;;DOPC;MDCG;27;1;"MARTINI bead: SC5_SNd";;;;;;;1.64;;-3.4;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM418484;MM418484;COc1cc(CC#N)c[nH]1;UBYAITSKZBTTFI-UHFFFAOYSA-N;136.15;1.09;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNda_SN0";;;;;;;1.17;;-1.13;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM418485;MM418485;NCC=CN=C(CN)NO;FZPFQBQSIHNUHC-UHFFFAOYSA-N;144.18;-1.21;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1_P4";;;;;;;-2.01;;-6.75;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM418486;MM418486;C=C(C)C=NN=CCF;NMVSWVZAEGXDOU-UHFFFAOYSA-N;128.15;1.59;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4_P1";;;;;;;1.37;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM418487;MM418487;NN=C(CF)N(O)C=NO;BAIMVVDXQZMBTR-UHFFFAOYSA-N;150.11;-0.66;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_P2";;;;;;;-0.24;;-3.24;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM418488;MM418488;CC=C1CCC(C)=C(F)C1;SHECLWBNBTUQHV-UHFFFAOYSA-N;140.2;3.36;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC1_SC4";;;;;;;4.24;;0.42;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM418489;MM418489;C=CN(C=O)C1CC(F)C1;PTODWEOEGMLADV-UHFFFAOYSA-N;143.16;1.09;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC5_SNda";;;;;;;1.64;;0.05;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM418490;MM418490;CCc1cc(NC=N)c[nH]1;CHZNSKBXYBCUPV-UHFFFAOYSA-N;137.19;1.6;;;;;DOPC;MDCG;27;1;"MARTINI bead: SC5_SP1";;;;;;;0.81;;-1.88;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM418491;MM418491;CCC=CN=C(CO)NC;DBNHQXKHZAQOCM-UHFFFAOYSA-N;142.2;0.52;;;;;DOPC;MDCG;27;1;"MARTINI bead: C3_P5";;;;;;;0.59;;-4.79;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM418492;MM418492;C#CC#CC(F)C1CC1O;YQCVRIHUEWTWEV-UHFFFAOYSA-N;138.14;0.34;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP1_C5";;;;;;;0.81;;-0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM418493;MM418493;CC1=C(F)CC(=CF)CC1;PTEWEDGWNHIWOV-UHFFFAOYSA-N;144.16;3.27;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC4_SC4";;;;;;;3.53;;0.53;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM418494;MM418494;CN(C=CF)C(=NN)NN;SXWYFTFVYTXEOW-UHFFFAOYSA-N;147.16;-0.95;;;;;DOPC;MDCG;27;1;"MARTINI bead: C5_P4";;;;;;;-0.41;;-4.43;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM418495;MM418495;N=CN(C=N)C1CC(F)C1;MAQVUZZDJSBAOL-UHFFFAOYSA-N;143.17;1;;;;;DOPC;MDCG;27;1;"MARTINI bead: SC5_SNd";;;;;;;1.64;;-1.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM418496;MM418496;CCc1cc(NC=O)c[nH]1;ROGVLESISKKUEI-UHFFFAOYSA-N;138.17;1.15;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC5_SNda";;;;;;;1.64;;0.05;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM418497;MM418497;CNC(CO)=NC=CCO;GOVZLSWXYXARSH-UHFFFAOYSA-N;144.17;-0.9;;;;;DOPC;MDCG;27;1;"MARTINI bead: P5_Nda";;;;;;;-1.11;;-7.92;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM418498;MM418498;C#CC#CC(C)C1CC1F;MBGPHUAXTLDABC-UHFFFAOYSA-N;136.17;1.62;;;;;DOPC;MDCG;27;0;"MARTINI bead: C2_SNa";;;;;;;2.83;;0.35;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM418499;MM418499;CC1=C(C)CC(=NN)CC1;JRAXZCBPGIWUMR-UHFFFAOYSA-N;138.21;1.82;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC1_SNd";;;;;;;2.91;;0.63;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM418500;MM418500;CNN=CCNCC=O;KVYGYAVXBBFHII-UHFFFAOYSA-N;129.16;-1.02;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_Na";;;;;;;-0.24;;-3.24;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM418501;MM418501;C=NN(C=N)C1CC(C)C1;VWFKVYBXKJXEBW-UHFFFAOYSA-N;139.2;1.31;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC4_SNd";;;;;;;2.2;;0.33;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM418502;MM418502;CCC=CN=C(CF)NN;HMEJLABSJDLFPW-UHFFFAOYSA-N;145.18;0.74;;;;;DOPC;MDCG;27;0;"MARTINI bead: C3_P2";;;;;;;1.46;;-0.14;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM418503;MM418503;N=CNc1c[nH]c(CN)c1;VKJACTAVDOOZPJ-UHFFFAOYSA-N;138.17;0.49;;;;;DOPC;MDCG;27;1;"MARTINI bead: SP1_SP1";;;;;;;-0.79;;-4.58;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM418504;MM418504;CCCN(C)C=NC(C)=O;NDGBQFGYGWXOMA-UHFFFAOYSA-N;142.2;0.9;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_P2";;;;;;;0.54;;-1.09;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM418505;MM418505;C#CC#CC(O)C1CC1F;ZDRBWBNCMAVUQD-UHFFFAOYSA-N;138.14;0.34;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda_SNa";;;;;;;0.87;;-1.99;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM418506;MM418506;CN=C(NO)N(C)C=CF;JHAHGQIWKSMXBD-UHFFFAOYSA-N;147.15;0.32;;;;;DOPC;MDCG;27;1;"MARTINI bead: P2_C5";;;;;;;0.54;;-2.8;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM418507;MM418507;C=NN(C=N)C1CC(N)C1;WAFQYBMFEAKBNO-UHFFFAOYSA-N;140.19;;;;;;DOPC;MDCG;27;1;"MARTINI bead: SNd_SNd";;;;;;;0.87;;-3.96;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM418508;MM418508;C#CCC(O)C(C)CC;KQPXYYOUXNKPJZ-UHFFFAOYSA-N;126.2;1.42;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_N0";;;;;;;1.94;;0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM418509;MM418509;N=CNc1c[nH]c(CO)c1;GFPLQKUSCWQTPY-UHFFFAOYSA-N;139.16;0.53;;;;;DOPC;MDCG;27;1;"MARTINI bead: SNda_SP1";;;;;;;0.04;;-3.92;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM418510;MM418510;CCCNN=COCC;UHDBPPZYLADFGQ-UHFFFAOYSA-N;130.19;0.97;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nd_Na";;;;;;;0.87;;-1.88;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM418511;MM418511;C#CC(C)N=CNN=C;IHPRLDKKAGBTAR-UHFFFAOYSA-N;123.16;0.24;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_P2";;;;;;;0.54;;-1.09;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM418512;MM418512;C=NN(C=N)C1CC(F)C1;SSOQQWSSBXRMLO-UHFFFAOYSA-N;143.17;1.01;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC5_SNd";;;;;;;1.64;;0.03;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM418513;MM418513;CC1=C(F)CCC(=NN)C1;MHENFVYPOYOJJK-UHFFFAOYSA-N;142.18;1.73;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC4_SNd";;;;;;;2.2;;0.32;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM418514;MM418514;CNC(CN)=NC=COC;VNYQPMUROWZREB-UHFFFAOYSA-N;143.19;-0.32;;;;;DOPC;MDCG;27;1;"MARTINI bead: P2_Nda";;;;;;;-0.24;;-5.28;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM418515;MM418515;N=CNc1c[nH]c(CF)c1;PIXZRPGJEJBYAL-UHFFFAOYSA-N;141.15;1.5;;;;;DOPC;MDCG;27;1;"MARTINI bead: SNda_SP1";;;;;;;0.04;;-3.91;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM418516;MM418516;CNC(=NN)N(N)C=CF;CXPWYJKZJRCVKL-UHFFFAOYSA-N;147.16;-0.95;;;;;DOPC;MDCG;27;1;"MARTINI bead: P4_C5";;;;;;;-0.41;;-4.64;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM418517;MM418517;N=C1C(N)=CC(=O)N1N;HAWIAMDHULGDRX-UHFFFAOYSA-N;126.12;-1.48;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP2_SP2";;;;;;;-1.34;;-4.31;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM418518;MM418518;C=NN(C=O)C1CC(F)C1;NUVQLLBFCIACMV-UHFFFAOYSA-N;144.15;0.56;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC5_SNa";;;;;;;1.64;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM418519;MM418519;CC1=C(F)CCC(=NO)C1;HRPXQLGWYNIUHT-UHFFFAOYSA-N;143.16;2.24;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC4_SNda";;;;;;;2.2;;0.49;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM418520;MM418520;CNc1cc(NC=N)c[nH]1;VFUOAAZMQCWTRG-UHFFFAOYSA-N;138.17;1.08;;;;;DOPC;MDCG;27;1;"MARTINI bead: SNd_SP1";;;;;;;0.04;;-4.1;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM418521;MM418521;CNC(CF)=NC=COC;ZIJDWKAFHSNRGG-UHFFFAOYSA-N;146.17;0.69;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_C5";;;;;;;0.54;;-1.09;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM418522;MM418522;NN=CC(=NN)C(F)(F)F;NUCOCZZWPNUEOF-UHFFFAOYSA-N;154.1;-0.19;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_C5";;;;;;;0.81;;-0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM418523;MM418523;CCc1nc(N)c(N)o1;UWBJIZQKKLUGJO-UHFFFAOYSA-N;127.15;0.4;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNa_SP1";;;;;;;0.04;;-2.54;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM418524;MM418524;C=CN(C=N)C1CN(C)C1;YEDOCHCRJVKGMJ-UHFFFAOYSA-N;139.2;0.35;;;;;DOPC;MDCG;27;1;"MARTINI bead: SNd_SP2";;;;;;;-0.24;;-6.16;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM418525;MM418525;CCC(O)C(C)CC(C)C;POPJMDJGOWNFMG-UHFFFAOYSA-N;144.26;2.44;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda_C1";;;;;;;2.91;;0.57;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM418526;MM418526;COc1cc(NC=N)c[nH]1;GCQRUWKTTLKMCD-UHFFFAOYSA-N;139.16;1.04;;;;;DOPC;MDCG;27;1;"MARTINI bead: SNda_SP1";;;;;;;0.04;;-3.74;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM418527;MM418527;CCN=CN=C(CC)NC;RDYSBFBSWBSZTI-UHFFFAOYSA-N;141.22;1.06;;;;;DOPC;MDCG;27;1;"MARTINI bead: C5_Nd";;;;;;;1.64;;-2.17;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM418528;MM418528;CN=C(NN)N(N)C=CF;CXPWYJKZJRCVKL-UHFFFAOYSA-N;147.16;-0.95;;;;;DOPC;MDCG;27;1;"MARTINI bead: P3_C5";;;;;;;-0.33;;-4.64;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM418529;MM418529;C=NN1CC1CC(C)=O;UKPOAJSOKSZXJG-UHFFFAOYSA-N;126.16;0.27;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_SP2";;;;;;;-1.06;;-3.82;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM418530;MM418530;CC1CN(N(C=N)C=O)C1;PEKKCMVAQLYKGO-UHFFFAOYSA-N;141.17;-0.08;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP1_SP2";;;;;;;-1.06;;-3.82;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM418531;MM418531;CC=C1COC(C)=C(C)C1;SRFYRBXEPMZKRT-UHFFFAOYSA-N;138.21;2.65;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC5_SC4";;;;;;;2.97;;0.45;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM418532;MM418532;C=COc1c[nH]c(CC)c1;DYHTYOQSVUFZLB-UHFFFAOYSA-N;137.18;2.1;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC5_SNa";;;;;;;1.64;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM418533;MM418533;CCC(N=CNOC)=NO;ZMTDSNZCFMLWGH-UHFFFAOYSA-N;145.16;0.36;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda_P2";;;;;;;-0.24;;-3.31;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM418534;MM418534;NN=C(NN)N(N)C=CF;MAFDLOUGMVIQMG-UHFFFAOYSA-N;148.15;-1.7;;;;;DOPC;MDCG;27;1;"MARTINI bead: P4_C5";;;;;;;-0.41;;-3.97;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM418535;MM418535;CCC#CC(=O)C1CC1C;RTUQQCACARIAQV-UHFFFAOYSA-N;136.19;1.62;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_SC5";;;;;;;2.41;;0.64;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM418536;MM418536;N=CN(C=N)N1CC(N)C1;UKIPRJNJDNIOBQ-UHFFFAOYSA-N;141.18;-0.94;;;;;DOPC;MDCG;27;1;"MARTINI bead: SP2_SP2";;;;;;;-1.34;;-5.33;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM418537;MM418537;CC1=C(C)OCC(=CF)C1;BLVZQUQZHSOYIW-UHFFFAOYSA-N;142.17;2.55;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC4_SNa";;;;;;;2.2;;0.34;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM418538;MM418538;C=NNC(C)C(F)C#N;NIQCWTBCKQTEDX-UHFFFAOYSA-N;129.14;0.44;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nd_Na";;;;;;;0.87;;-1.88;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM418539;MM418539;C=COc1c[nH]c(CN)c1;PSPTYZOJAQZKHT-UHFFFAOYSA-N;138.17;1;;;;;DOPC;MDCG;27;1;"MARTINI bead: SP1_SNa";;;;;;;0.04;;-3.8;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM418540;MM418540;CCC=CCCC(C)(C)O;LGAOBFAFWKTUEZ-UHFFFAOYSA-N;142.24;2.5;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1_Nda";;;;;;;2.91;;0.57;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM418541;MM418541;CCC#CC(=N)N1CC1C;WBABHBJCQPRLKF-UHFFFAOYSA-N;136.2;1.08;;;;;DOPC;MDCG;27;1;"MARTINI bead: C5_SP1";;;;;;;0.81;;-2.16;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM418542;MM418542;C=CN(C=O)N1CC(F)C1;NPFCPCSJFHMMDR-UHFFFAOYSA-N;144.15;0.16;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP2_SP1";;;;;;;-1.06;;-3.82;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM418543;MM418543;CC1=C(C)OCC(=NN)C1;VBLQAPJSSBTLOL-UHFFFAOYSA-N;140.19;1.02;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC4_SNd";;;;;;;2.2;;0.32;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM418544;MM418544;CCCC(C)C1(O)CC1;CYAFNJNTPUIBAJ-UHFFFAOYSA-N;128.22;1.95;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1_SP1";;;;;;;2.08;;0.48;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM418545;MM418545;C=COc1c[nH]c(CO)c1;MOBGPMNEFDZXFJ-UHFFFAOYSA-N;139.15;1.03;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNda_SNa";;;;;;;0.87;;-1.99;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM418546;MM418546;CC(C)(O)CCC=CC#N;ZEMWVDMRSSXIPZ-UHFFFAOYSA-N;139.2;1.62;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda_N0";;;;;;;1.17;;-1.13;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM418547;MM418547;CC=C(CC)C1CC(C)C1;QBQIZOPLTFDNQS-UHFFFAOYSA-N;138.25;3.39;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC1_SC4";;;;;;;4.24;;0.42;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM418548;MM418548;CC1CN1C(=N)C#CCN;FFUNJTKWBVAPAV-UHFFFAOYSA-N;137.19;-0.37;;;;;DOPC;MDCG;27;1;"MARTINI bead: SP1_P2";;;;;;;-1.06;;-5.35;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM418549;MM418549;CC1=C(C)OCC(=NO)C1;MILIEQFFPNOXRW-UHFFFAOYSA-N;141.17;1.53;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC4_SNda";;;;;;;2.2;;0.49;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM418550;MM418550;C=COc1c[nH]c(CF)c1;VUNWKHZXDOBKTD-UHFFFAOYSA-N;141.15;2.01;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNda_SNa";;;;;;;0.87;;-1.99;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM418551;MM418551;C=C1C(C)CC2(O)CC12;BYTXTJWRONDAMU-UHFFFAOYSA-N;124.18;1.33;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNda_SC3";;;;;;;2.57;;0.44;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM418552;MM418552;CN=C(NC)N(O)C=CF;HVSKDEDEVLLULG-UHFFFAOYSA-N;147.15;0.32;;;;;DOPC;MDCG;27;1;"MARTINI bead: P2_C5";;;;;;;0.54;;-2.92;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM418553;MM418553;CC=C(CN)C1CC(C)C1;BAAMYLSXWPIAGK-UHFFFAOYSA-N;139.24;1.94;;;;;DOPC;MDCG;27;1;"MARTINI bead: SC4_SC4";;;;;;;3.53;;0.68;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM418554;MM418554;CCC#CC(=O)N1CC1C;SSNIFOKPCOFBDG-UHFFFAOYSA-N;137.18;0.63;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_SP1";;;;;;;0.81;;-0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM418555;MM418555;CN=C1CCC(C)=C(C)N1;MUKRATSMKBDOET-UHFFFAOYSA-N;138.21;1.69;;;;;DOPC;MDCG;27;1;"MARTINI bead: SNd_SC5";;;;;;;1.64;;-3.49;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM418556;MM418556;C#CC(F)=C(C)OC=NN;NAQUDEFAGJWZCF-UHFFFAOYSA-N;142.13;0.74;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_P1";;;;;;;0.81;;-0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM418557;MM418557;CN=C(NC)NC=CCO;LADVOLILSITLOU-UHFFFAOYSA-N;143.19;-0.71;;;;;DOPC;MDCG;27;1;"MARTINI bead: P2_Nda";;;;;;;-0.24;;-7.72;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM418558;MM418558;C#CC=CCCC(C)(C)O;IFPYFUQRJJWMCP-UHFFFAOYSA-N;138.21;1.73;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda_C2";;;;;;;2.83;;0.57;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM418559;MM418559;CC1CC(C(=CF)CO)C1;MOHWTOGFBXWSGK-UHFFFAOYSA-N;144.19;1.88;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC4_SC5";;;;;;;2.97;;0.45;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM418560;MM418560;C=C(C#CC#N)C1CC1C;VUCCDAKYTGHZIQ-UHFFFAOYSA-N;131.18;1.73;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC5_N0";;;;;;;1.94;;0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM418561;MM418561;CC1=C(C)N=C(NN)CC1;FRCPYJSTQOFYHB-UHFFFAOYSA-N;139.2;0.94;;;;;DOPC;MDCG;27;1;"MARTINI bead: SC4_SNd";;;;;;;2.2;;-1.67;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM418562;MM418562;C=COc1c[nH]c(OC)c1;LJZVBAQUIVHZMT-UHFFFAOYSA-N;139.15;1.55;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNda_SNa";;;;;;;0.87;;-1.99;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM418563;MM418563;CNC(=NN)NC=CCO;UHYVQZYFYQNEAF-UHFFFAOYSA-N;144.18;-1.47;;;;;DOPC;MDCG;27;1;"MARTINI bead: P3_Nda";;;;;;;-1.1;;-7.13;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM418564;MM418564;CNC(=NN)N(C)C=NN;MUHDDWVJILRBCU-UHFFFAOYSA-N;144.18;-1.73;;;;;DOPC;MDCG;27;1;"MARTINI bead: P2_P1";;;;;;;-1.06;;-5.88;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM418565;MM418565;C=CC#CC(=O)C1CC1C;BNJVDHCJHPQLGN-UHFFFAOYSA-N;134.18;1.4;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC5_Na";;;;;;;1.64;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM418566;MM418566;CC1=C(C)N=C(NO)CC1;HPVVBSRIPJQRML-UHFFFAOYSA-N;140.19;1.45;;;;;DOPC;MDCG;27;1;"MARTINI bead: SC4_SNda";;;;;;;2.2;;-0.3;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM418567;MM418567;NC1CC(C(=CF)CO)C1;JHLLTTSFQNSFFI-UHFFFAOYSA-N;145.18;0.57;;;;;DOPC;MDCG;27;1;"MARTINI bead: SNd_SC5";;;;;;;1.64;;-2.7;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM418568;MM418568;C=CCc1coc(CC)c1;GVOKLNYZRBYHPR-UHFFFAOYSA-N;136.19;2.57;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC4_SC4";;;;;;;3.53;;0.53;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM418569;MM418569;CN=C(NN)NC=CCO;UHYVQZYFYQNEAF-UHFFFAOYSA-N;144.18;-1.47;;;;;DOPC;MDCG;27;1;"MARTINI bead: P3_Nda";;;;;;;-1.1;;-7.69;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM418570;MM418570;CC1CC1C(=O)C#CC#N;NMJPEIZNCNIQAP-UHFFFAOYSA-N;133.15;0.74;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC5_Na";;;;;;;1.64;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM418571;MM418571;CNC(=NN)N(C)C=NO;LUVWHPBEANXVOG-UHFFFAOYSA-N;145.17;-1.22;;;;;DOPC;MDCG;27;1;"MARTINI bead: P2_P1";;;;;;;-1.06;;-5.32;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM418572;MM418572;CCc1cc(CC#N)co1;DDMNLJRPFNHQOT-UHFFFAOYSA-N;135.17;1.91;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC4_SN0";;;;;;;2.5;;0.44;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM418573;MM418573;CN=C1CCC(F)=C(C)N1;KKNSJBVSZJAXIW-UHFFFAOYSA-N;142.18;1.6;;;;;DOPC;MDCG;27;1;"MARTINI bead: SNd_SNa";;;;;;;0.87;;-3.65;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM418574;MM418574;NC1CC(C(=CF)CF)C1;HHRZDCCYRFCKMT-UHFFFAOYSA-N;147.17;1.55;;;;;DOPC;MDCG;27;1;"MARTINI bead: SNd_SC4";;;;;;;2.2;;-2.22;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM418575;MM418575;NN=C(NN)NC=CCO;PSYNLDCQCAJDBG-UHFFFAOYSA-N;145.17;-2.23;;;;;DOPC;MDCG;27;1;"MARTINI bead: P4_Nda";;;;;;;-1.19;;-7.28;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM418576;MM418576;C#CC(C)C1C(C)C1(C)O;XRXCBEYAVRDTLP-UHFFFAOYSA-N;138.21;1.27;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_SNda";;;;;;;1.64;;0.05;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM418577;MM418577;C=C(C#CC#N)C1CC1O;SMNVKJIDQFUTQV-UHFFFAOYSA-N;133.15;0.45;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP1_C5";;;;;;;0.81;;-0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM418578;MM418578;C=CCc1coc(CO)c1;LSVSKRSOCJGAFE-UHFFFAOYSA-N;138.17;1.5;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNda_SC4";;;;;;;2.2;;0.49;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM418579;MM418579;C=CN(C=O)C(C)=NN;DGVJVEZLFWOOBC-UHFFFAOYSA-N;127.15;-0.12;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nd_P2";;;;;;;-0.24;;-3.16;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM418580;MM418580;CC1=C(F)CCC(=NO)N1;GBOUYZJXGLPNFH-UHFFFAOYSA-N;144.15;1.36;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNa_SNda";;;;;;;0.87;;-1.99;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM418581;MM418581;CN=C(NO)NC=CCN;XXNKLLSMOOENQI-UHFFFAOYSA-N;144.18;-0.99;;;;;DOPC;MDCG;27;1;"MARTINI bead: P3_P1";;;;;;;-1.93;;-7.39;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM418582;MM418582;CN=C(NN)N(C)C=NN;MUHDDWVJILRBCU-UHFFFAOYSA-N;144.18;-1.73;;;;;DOPC;MDCG;27;1;"MARTINI bead: P2_P1";;;;;;;-1.06;;-6.64;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM418583;MM418583;C=C(C#CC#N)C1CC1F;TWANQNGOYMEWRY-UHFFFAOYSA-N;135.14;1.43;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNa_C5";;;;;;;1.64;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM418584;MM418584;N#CCc1coc(CO)c1;QVBSWIHHUDGWTK-UHFFFAOYSA-N;137.14;0.84;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNda_SN0";;;;;;;1.17;;-1.13;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM418585;MM418585;CC=C(CN)C1CC(O)C1;YPKWFQUETQYPAF-UHFFFAOYSA-N;141.21;0.66;;;;;DOPC;MDCG;27;1;"MARTINI bead: SC4_SNda";;;;;;;2.2;;-1.49;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM418586;MM418586;CC=CC1CC(O)(CC)C1;OHZCBUDSKMMSEW-UHFFFAOYSA-N;140.23;2.11;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNda_SC2";;;;;;;2.83;;0.57;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM418587;MM418587;CN=C(NO)NC=CCO;UVYXOKCRCSNUPT-UHFFFAOYSA-N;145.16;-0.95;;;;;DOPC;MDCG;27;1;"MARTINI bead: P3_Nda";;;;;;;-1.1;;-6.53;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM418588;MM418588;CN=C(NN)N(C)C=NO;LUVWHPBEANXVOG-UHFFFAOYSA-N;145.17;-1.22;;;;;DOPC;MDCG;27;1;"MARTINI bead: P2_P1";;;;;;;-1.06;;-6.08;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM418589;MM418589;CNc1n[nH]c(C)c1N;NEVALMUZMOLOFE-UHFFFAOYSA-N;126.16;0.34;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNda_SP1";;;;;;;0.04;;-2.73;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM418590;MM418590;C=CCc1coc(CF)c1;VYWZKTMLFYLWPZ-UHFFFAOYSA-N;140.16;2.48;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC5_SC4";;;;;;;2.97;;0.45;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM418591;MM418591;CCC(=CF)C1CC(F)C1;QVXYVKVIGGPISA-UHFFFAOYSA-N;146.18;3;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC2_SC5";;;;;;;3.6;;0.34;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM418592;MM418592;NN=C(NO)NC=CCO;CVMRUOHCBUYXSL-UHFFFAOYSA-N;146.15;-1.71;;;;;DOPC;MDCG;27;1;"MARTINI bead: P4_Nda";;;;;;;-1.19;;-6;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM418593;MM418593;CC=C1CCC(C)=C(C)O1;VCPYLLSIPHEJHW-UHFFFAOYSA-N;138.21;2.99;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC4_SC4";;;;;;;3.53;;0.53;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM418594;MM418594;CN=CN(C)C(=NN)NN;XTCKCGPCZQFSTF-UHFFFAOYSA-N;144.18;-1.73;;;;;DOPC;MDCG;27;1;"MARTINI bead: N0_P4";;;;;;;-0.88;;-5.57;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM418595;MM418595;CCCC=NN=CCF;LOPCFJYNAWXYFG-UHFFFAOYSA-N;130.17;1.81;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1_P1";;;;;;;2.08;;0.48;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM418596;MM418596;O=CCc1coc(CF)c1;WPKJWJYBIWEDPC-UHFFFAOYSA-N;142.13;1.49;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC5_SNa";;;;;;;1.64;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM418597;MM418597;CC1CC(C(CN)=NO)C1;HMCPKBDDUXPPNR-UHFFFAOYSA-N;142.2;0.82;;;;;DOPC;MDCG;27;1;"MARTINI bead: SC4_SNda";;;;;;;2.2;;-1.95;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM418598;MM418598;NCC=CNC(=NO)NO;HCRVHOMDJQHNSQ-UHFFFAOYSA-N;146.15;-1.23;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1_P4";;;;;;;-2.01;;-6.43;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM418599;MM418599;CC1=C(C)OC(=CF)CC1;IRSHDJXUBYXVKX-UHFFFAOYSA-N;142.17;2.9;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC4_SC5";;;;;;;2.97;;0.45;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM418600;MM418600;CN=C(NO)N(C)C=NN;FZOYYGQTLILREV-UHFFFAOYSA-N;145.17;-1.22;;;;;DOPC;MDCG;27;1;"MARTINI bead: P2_P1";;;;;;;-1.06;;-5.19;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM418601;MM418601;C=CC#CC(=O)C1OC1C;GNLGEZREBXLYMW-UHFFFAOYSA-N;136.15;0.53;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNa_Na";;;;;;;0.87;;-2.22;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM418602;MM418602;CCC(C)(O)CC=C(C)C;MCAFKDYRVIOVJQ-UHFFFAOYSA-N;142.24;2.5;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda_C1";;;;;;;2.91;;0.57;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM418603;MM418603;N#CCc1coc(CF)c1;DZHLCNAZHNMRSO-UHFFFAOYSA-N;139.13;1.82;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC5_SN0";;;;;;;1.94;;0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM418604;MM418604;CN=C(NC)N(N)C=NN;AFDOXBAEPXSVHA-UHFFFAOYSA-N;144.18;-1.73;;;;;DOPC;MDCG;27;1;"MARTINI bead: P2_P1";;;;;;;-1.06;;-6.92;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM418605;MM418605;CC=C1CCC(F)=C(C)O1;OKZDMEMGNOGYSG-UHFFFAOYSA-N;142.17;2.9;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC4_SNa";;;;;;;2.2;;0.34;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM418606;MM418606;COc1[nH]cc(N)c1N;MMEKBYDPTXEXCU-UHFFFAOYSA-N;127.15;0.19;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNda_SP1";;;;;;;0.04;;-2.73;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM418607;MM418607;C=CCc1coc(NC)c1;CFZCDHGZXIFYCS-UHFFFAOYSA-N;137.18;2.05;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNd_SC4";;;;;;;2.2;;0.32;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM418608;MM418608;CN=C(NC)C1CC(C)C1;YWIYZCDVWYVXSZ-UHFFFAOYSA-N;140.23;1.28;;;;;DOPC;MDCG;27;1;"MARTINI bead: SC5_SC4";;;;;;;2.97;;-1.94;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM418609;MM418609;C=CC#CC(=O)C1CN1C;NIGXAQREXKKHLA-UHFFFAOYSA-N;135.17;0.06;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP1_Na";;;;;;;0.04;;-2.54;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM418610;MM418610;CN=C(NC)N(N)C=NO;IHJHOHAEUUDHSA-UHFFFAOYSA-N;145.17;-1.22;;;;;DOPC;MDCG;27;1;"MARTINI bead: P2_P1";;;;;;;-1.06;;-6.37;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM418611;MM418611;COC=CNC(=NN)NN;OPKNNSKCRHAVRT-UHFFFAOYSA-N;145.17;-1.61;;;;;DOPC;MDCG;27;1;"MARTINI bead: Na_P4";;;;;;;-1.19;;-6.63;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM418612;MM418612;CC1=C(F)CCC(=CF)O1;ZNJGBFLEXHGJRP-UHFFFAOYSA-N;146.14;2.81;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNa_SC5";;;;;;;1.64;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM418613;MM418613;CNc1cc(CC=O)co1;GRNRHFJNLZVMFZ-UHFFFAOYSA-N;139.15;1.06;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNd_SNa";;;;;;;0.87;;-1.88;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM418614;MM418614;CN=C(NN)C1CC(C)C1;FWNGTLLGEDTUQN-UHFFFAOYSA-N;141.22;0.52;;;;;DOPC;MDCG;27;1;"MARTINI bead: SNd_SC4";;;;;;;2.2;;-2.46;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM418615;MM418615;C=CC#CC(=N)N1CC1C;FYWIZKDXWQIRPX-UHFFFAOYSA-N;134.18;0.86;;;;;DOPC;MDCG;27;1;"MARTINI bead: SP1_N0";;;;;;;0.34;;-2.73;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM418616;MM418616;CC=CC(=O)C1NC1C;CHTAPTWJWGSEIH-UHFFFAOYSA-N;125.17;0.49;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_SP1";;;;;;;0.04;;-2.54;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM418617;MM418617;CN=CN(N)C(=NN)NC;UIAZDUVDFJWBKX-UHFFFAOYSA-N;144.18;-1.73;;;;;DOPC;MDCG;27;1;"MARTINI bead: P4_N0";;;;;;;-0.88;;-5.76;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM418618;MM418618;C=CC1(O)CC(C)=C(C)C1;XWQYGIHGLXQNCQ-UHFFFAOYSA-N;138.21;2.03;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC3_SNda";;;;;;;2.57;;0.44;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM418619;MM418619;CC1CC(C(=NO)NO)C1;CCRDIRQYZMDWPV-UHFFFAOYSA-N;144.17;0.8;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC4_SNda";;;;;;;2.2;;0.49;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM418620;MM418620;CNc1cc(CC#N)co1;NLLXYTMWRGRTBN-UHFFFAOYSA-N;136.15;1.39;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNd_SN0";;;;;;;1.17;;-1.04;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM418621;MM418621;C=CC#CC(=O)N1CC1C;QYFBIRQTJZCEMW-UHFFFAOYSA-N;135.17;0.41;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP1_N0";;;;;;;0.34;;-1.53;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM418622;MM418622;C#CC(C#N)=NNCC;KRHODIJHHPUYTE-UHFFFAOYSA-N;121.14;0.11;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_N0";;;;;;;0.34;;-1.53;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM418623;MM418623;CNC(=NN)N(N)C=NO;VTPIGDZHHFQBLX-UHFFFAOYSA-N;146.15;-1.97;;;;;DOPC;MDCG;27;1;"MARTINI bead: P2_P2";;;;;;;-1.34;;-5.41;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM418624;MM418624;CC1=C(C)OC(=NO)CC1;YOQFCCDZNCCFJM-UHFFFAOYSA-N;141.17;1.88;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC4_SNda";;;;;;;2.2;;0.49;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM418625;MM418625;C=CCc1coc(OC)c1;XUFYYJXUTJVJJJ-UHFFFAOYSA-N;138.17;2.02;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNa_SC4";;;;;;;2.2;;0.34;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM418626;MM418626;CN=C(NC)C1CC(N)C1;YVQRRNYMECLINU-UHFFFAOYSA-N;141.22;-0.03;;;;;DOPC;MDCG;27;1;"MARTINI bead: SC5_SNd";;;;;;;1.64;;-4.56;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM418627;MM418627;CC1CN1C(=O)C#CC=O;GGXYGFTVLVFRFS-UHFFFAOYSA-N;137.14;-0.58;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP1_P1";;;;;;;-0.79;;-3.13;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM418628;MM418628;C=C(CC)C1C(C)C1(C)O;MCIUVGZWBAAVFQ-UHFFFAOYSA-N;140.23;1.97;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1_SNda";;;;;;;2.91;;0.57;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM418629;MM418629;CCN=CNC(=NC)NC;VKRAPQMARPILFO-UHFFFAOYSA-N;142.21;-0.17;;;;;DOPC;MDCG;27;1;"MARTINI bead: C5_P2";;;;;;;0.54;;-4.83;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM418630;MM418630;N=C(NOC=NN)OC=O;GIXVLYSCHXDMRZ-UHFFFAOYSA-N;146.11;-1.48;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_P2";;;;;;;-1.06;;-3.82;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM418631;MM418631;COc1cc(CC#N)co1;CRWIQZREQXLMND-UHFFFAOYSA-N;137.14;1.35;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNa_SN0";;;;;;;1.17;;-1.18;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM418632;MM418632;CC1CN1C(=O)C#CC#N;ZHDIYPRSHODCIX-UHFFFAOYSA-N;134.14;-0.26;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP1_N0";;;;;;;0.34;;-1.53;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM418633;MM418633;CN=C(NN)C1CC(O)C1;IGOJPOIGYXAVTB-UHFFFAOYSA-N;143.19;-0.75;;;;;DOPC;MDCG;27;1;"MARTINI bead: SNd_SNda";;;;;;;0.87;;-4.85;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM418634;MM418634;CN=CN(N)C(=NC)NN;UIAZDUVDFJWBKX-UHFFFAOYSA-N;144.18;-1.73;;;;;DOPC;MDCG;27;1;"MARTINI bead: N0_P3";;;;;;;-0.8;;-5.74;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM418635;MM418635;CCN=CNC(=NN)NN;DUVKVLLIWJFRNH-UHFFFAOYSA-N;144.18;-1.68;;;;;DOPC;MDCG;27;1;"MARTINI bead: C5_P4";;;;;;;-0.41;;-4.42;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM418636;MM418636;CNc1cc(NC=O)co1;MSHJWJKUUPMCLZ-UHFFFAOYSA-N;140.14;0.89;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNd_SNda";;;;;;;0.87;;-1.92;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM418637;MM418637;C#CC#CC(=C)C1CC1C;ZSMPDDDKOBLZDW-UHFFFAOYSA-N;130.19;1.84;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC5_C4";;;;;;;2.97;;0.45;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM418638;MM418638;CC1=C(F)CCC(=NO)O1;BLTNCLNSIZNYQE-UHFFFAOYSA-N;145.13;1.79;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNa_SNda";;;;;;;0.87;;-1.99;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM418639;MM418639;CN=C(NN)C1CC(F)C1;FZZKURZZBYLXIK-UHFFFAOYSA-N;145.18;0.23;;;;;DOPC;MDCG;27;1;"MARTINI bead: SNd_SC5";;;;;;;1.64;;-2.82;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM418640;MM418640;CN=CN(N)C(=NN)NN;XKDFMVQWQKAFNS-UHFFFAOYSA-N;145.17;-2.49;;;;;DOPC;MDCG;27;1;"MARTINI bead: N0_P4";;;;;;;-0.88;;-5.12;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM418641;MM418641;CN=C(NC)NC=NNC;MCZHRPCEGDAMBC-UHFFFAOYSA-N;143.19;-1.06;;;;;DOPC;MDCG;27;1;"MARTINI bead: P2_P2";;;;;;;-1.34;;-7.66;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM418642;MM418642;C=COc1coc(CC)c1;NXVLCJLOMQKZMU-UHFFFAOYSA-N;138.17;2.36;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC4_SC5";;;;;;;2.97;;0.45;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM418643;MM418643;C#CC#CC(=O)C1CC1C;NWQIFKAICJISJU-UHFFFAOYSA-N;132.16;0.85;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC5_Na";;;;;;;1.64;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM418644;MM418644;CC=C1COC(C)=C(C)O1;LTNPMQHQMPFBPQ-UHFFFAOYSA-N;140.18;2.19;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC5_SNa";;;;;;;1.64;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM418645;MM418645;CN=C(NO)C1CC(F)C1;JLMGTZFLSOTBAT-UHFFFAOYSA-N;146.17;0.74;;;;;DOPC;MDCG;27;1;"MARTINI bead: SNda_SC5";;;;;;;1.64;;-1.6;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM418646;MM418646;CCC1=CC(C)(O)C(C)C1;UTZQADUBMSDPRT-UHFFFAOYSA-N;140.23;2.11;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC2_SNda";;;;;;;2.83;;0.57;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM418647;MM418647;CNN=CNC(=NN)NN;MUINSRNXKNPNHQ-UHFFFAOYSA-N;145.17;-2.57;;;;;DOPC;MDCG;27;1;"MARTINI bead: P2_P4";;;;;;;-2.29;;-7.09;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM418648;MM418648;C=COc1coc(CF)c1;NXRYCMJTCTXSTI-UHFFFAOYSA-N;142.13;2.27;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC5_SC5";;;;;;;2.41;;0.64;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM418649;MM418649;CC1=C(C)OC(=CF)CO1;CLSYYUQKVGYPHJ-UHFFFAOYSA-N;144.15;2.1;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNa_SNa";;;;;;;0.87;;-2.22;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM418650;MM418650;C#CC#CC(=C)C1CC1O;UXSKCEPLKZGHBI-UHFFFAOYSA-N;132.16;0.56;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP1_C4";;;;;;;1.37;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM418651;MM418651;CC=C(OC)C1CC(N)C1;OLDCDEHMXMIPBO-UHFFFAOYSA-N;141.21;1.27;;;;;DOPC;MDCG;27;1;"MARTINI bead: SC3_SNd";;;;;;;2.57;;-1.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM418652;MM418652;C=C(C=O)CC(C)=NOC;CYFUIVVQYXRJKX-UHFFFAOYSA-N;141.17;1.15;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_Na";;;;;;;0.87;;-2.22;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM418653;MM418653;CC=C(NC=NCC)OC;UMOZMEOFTCOTLA-UHFFFAOYSA-N;142.2;1.13;;;;;DOPC;MDCG;27;1;"MARTINI bead: C5_Nda";;;;;;;1.64;;-1.23;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM418654;MM418654;C=COc1coc(NC)c1;GQXKTPLURLCUNY-UHFFFAOYSA-N;139.15;1.84;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNd_SC5";;;;;;;1.64;;0.02;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM418655;MM418655;C#CC#CC(=O)C1CC1O;QFMXHYNHFUCDKT-UHFFFAOYSA-N;134.13;-0.43;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP1_Na";;;;;;;0.04;;-2.54;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM418656;MM418656;CCNN=CC(F)CC#N;KONAQXANSHOUEU-UHFFFAOYSA-N;143.17;0.83;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nd_Na";;;;;;;0.87;;-1.88;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM418657;MM418657;CC=C(OC)C1CC(O)C1;DUKUSDDSHKRLHE-UHFFFAOYSA-N;142.2;1.31;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC3_SNda";;;;;;;2.57;;0.44;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM418658;MM418658;CN=CN(N)C(=NC)NO;GMUPYEBAPOTRFU-UHFFFAOYSA-N;145.17;-1.22;;;;;DOPC;MDCG;27;1;"MARTINI bead: N0_P3";;;;;;;-0.8;;-4.36;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM418659;MM418659;C=CN=C1C=C(CC)CN1;DUIBUVVLHFYRKG-UHFFFAOYSA-N;136.2;1.47;;;;;DOPC;MDCG;27;1;"MARTINI bead: SN0_SNd";;;;;;;1.17;;-4.1;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM418660;MM418660;CC=C(NC=NOC)OC;WSLRRFYQWCUZAQ-UHFFFAOYSA-N;144.17;0.67;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_C5";;;;;;;0.54;;-1.09;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM418661;MM418661;C#CC#CC(=C)C1CC1F;MHEGMSXQJKGNLP-UHFFFAOYSA-N;134.15;1.54;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNa_C4";;;;;;;2.2;;0.34;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM418662;MM418662;CC1=C(C)OC(=NO)CO1;DXYJSIHKLBIECH-UHFFFAOYSA-N;143.14;1.07;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNa_SP1";;;;;;;0.04;;-2.54;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM418663;MM418663;CC=C(OC)C1CC(F)C1;CJZPUYBALCMEDK-UHFFFAOYSA-N;144.19;2.28;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC3_SC5";;;;;;;3.34;;0.48;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM418664;MM418664;C=CN=C1C=C(CN)CN1;RADNSIMYZXYVKT-UHFFFAOYSA-N;137.19;0.02;;;;;DOPC;MDCG;27;1;"MARTINI bead: SP2_SNd";;;;;;;-0.24;;-6.05;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM418665;MM418665;CCC1(CO)CCCC1;GLJSDRXLFVQXQU-UHFFFAOYSA-N;128.22;1.95;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC4_SC4";;;;;;;3.53;;0.53;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM418666;MM418666;CNN=C(C=C(C)N)OC;DDECXPCPBBHUGJ-UHFFFAOYSA-N;143.19;0.03;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_Nda";;;;;;;-0.24;;-3.31;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM418667;MM418667;C#CC#CC(=O)C1CC1F;ZDAVOUZSTRKKRT-UHFFFAOYSA-N;136.13;0.55;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNa_Na";;;;;;;0.87;;-2.22;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM418668;MM418668;O=c1[nH]c(NO)ccc1O;IZYDCYWTUUQSRA-UHFFFAOYSA-N;142.11;-0.12;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNda_SP2";;;;;;;-0.24;;-3.31;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM418669;MM418669;CC#CCC(C)(O)C(C)C;YZLINNLRSUIJLC-UHFFFAOYSA-N;140.23;1.81;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4_Nda";;;;;;;2.2;;0.49;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM418670;MM418670;C=CN=C1C=C(CO)CN1;AEXIKBBPNRMQGW-UHFFFAOYSA-N;138.17;0.05;;;;;DOPC;MDCG;27;1;"MARTINI bead: SP2_SNd";;;;;;;-0.24;;-5.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM418671;MM418671;COC(=NO)NC=CCN;KLJNAXSOXGGGFN-UHFFFAOYSA-N;145.16;-0.56;;;;;DOPC;MDCG;27;1;"MARTINI bead: P2_P1";;;;;;;-1.06;;-5.13;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM418672;MM418672;CN(C)N=CCNCC=O;ICUNXEAUAPJEQP-UHFFFAOYSA-N;143.19;-0.68;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_Na";;;;;;;-0.24;;-3.24;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM418673;MM418673;C=CCC=NN=CCF;SUVQCXASJQMTOQ-UHFFFAOYSA-N;128.15;1.59;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_N0";;;;;;;1.94;;0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM418674;MM418674;NNc1cnc(F)c(=O)[nH]1;QYEZKSZJQZETLS-UHFFFAOYSA-N;144.11;-0.81;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNd_SP2";;;;;;;-0.24;;-3.16;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM418675;MM418675;C=C(C)OC(=O)C(C)=NN;GBVVBNYLOYXUEJ-UHFFFAOYSA-N;142.16;0.4;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_Nd";;;;;;;0.87;;-1.88;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM418676;MM418676;C=CN=C1C=C(CF)CN1;KDDRSQSOGQHFBZ-UHFFFAOYSA-N;140.16;1.03;;;;;DOPC;MDCG;27;1;"MARTINI bead: SNa_SNd";;;;;;;0.87;;-4.58;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM418677;MM418677;COC(=NO)NC=CCO;LDJKSIOYXXAJAT-UHFFFAOYSA-N;146.15;-0.53;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_P1";;;;;;;-0.79;;-3.13;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM418678;MM418678;CNC(C#N)C(C)C(C)=O;WNAWQPHWRCXSPU-UHFFFAOYSA-N;140.19;0.32;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_Na";;;;;;;-0.24;;-3.24;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM418679;MM418679;C#CC#CC(=O)C1OC1C;IMJXTCBJNXNMID-UHFFFAOYSA-N;134.13;-0.02;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNa_Na";;;;;;;0.87;;-2.22;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM418680;MM418680;NNc1c[nH]c(=O)c(F)n1;NWMIXQSELPNXAK-UHFFFAOYSA-N;144.11;-0.81;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNda_SP2";;;;;;;-0.24;;-3.31;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM418681;MM418681;C=CC1(C)CC(C)C(O)C1;NAQSICHRQUFOKA-UHFFFAOYSA-N;140.23;1.97;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC1_SNda";;;;;;;2.91;;0.57;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM418682;MM418682;CC(=O)CN(C)N=C(C)C;PXYFOSGCRIBGCN-UHFFFAOYSA-N;142.2;0.9;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_N0";;;;;;;0.06;;-2.21;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM418683;MM418683;CNC(=NO)N(O)C=NO;KXORSDSMFORCQA-UHFFFAOYSA-N;148.12;-0.94;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_P2";;;;;;;-1.34;;-4.31;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM418684;MM418684;C=CN=C1C=C(NC)CN1;BTODYOICZMGGHL-UHFFFAOYSA-N;137.19;0.23;;;;;DOPC;MDCG;27;1;"MARTINI bead: SP1_SNd";;;;;;;0.04;;-5.08;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM418685;MM418685;C#CC#CC(=O)C1CN1C;IMAUWWVLOMTCAX-UHFFFAOYSA-N;133.15;-0.49;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP1_Na";;;;;;;0.04;;-2.54;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM418686;MM418686;O=c1[nH]cc(NO)nc1F;QKKNHGHIDBRMML-UHFFFAOYSA-N;145.09;-0.29;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNda_SP2";;;;;;;-0.24;;-3.31;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM418687;MM418687;C=CCC1CC(C)C(O)C1;VGGIFGGVAYFJQY-UHFFFAOYSA-N;140.23;1.97;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC1_SNda";;;;;;;2.91;;0.57;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM418688;MM418688;CC=C(CC)C1CC(C)N1;ICLGKGYXZDLCIA-UHFFFAOYSA-N;139.24;2.09;;;;;DOPC;MDCG;27;1;"MARTINI bead: SC5_SNd";;;;;;;1.64;;-2.72;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM418689;MM418689;COC=CNC(=NO)OC;MSZVILYHRJXMJG-UHFFFAOYSA-N;146.15;0.09;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_P1";;;;;;;-0.79;;-3.13;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM418690;MM418690;C=CN=C1C=C(OC)CN1;GIEZZZFYTNTQJJ-UHFFFAOYSA-N;138.17;0.66;;;;;DOPC;MDCG;27;1;"MARTINI bead: SP1_SNd";;;;;;;0.04;;-3.89;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM418691;MM418691;C#CC#CC(=O)N1CC1C;LHKPJKORLWTDTE-UHFFFAOYSA-N;133.15;-0.15;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP1_N0";;;;;;;0.34;;-1.53;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM418692;MM418692;Cc1c[nH]c(=NN)oc1=N;TXZZKROYAYSIFC-UHFFFAOYSA-N;140.15;-0.83;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP1_SP2";;;;;;;-1.06;;-3.82;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM418693;MM418693;CC=C(CN)C1CC(C)N1;RTSYHDQKLPWUBU-UHFFFAOYSA-N;140.23;0.64;;;;;DOPC;MDCG;27;1;"MARTINI bead: SNd_SP1";;;;;;;0.04;;-5.19;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM418694;MM418694;CC1=C(F)CN(N)C(=O)C1;IAYBCIPVHDQHAZ-UHFFFAOYSA-N;144.15;0.34;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNa_SP1";;;;;;;0.04;;-2.54;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM418695;MM418695;CC(=NCC=O)N1CC1C;ZBXFTJQWUXYDOL-UHFFFAOYSA-N;140.19;0.31;;;;;DOPC;MDCG;27;1;"MARTINI bead: SP1_Na";;;;;;;0.04;;-4.21;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM418696;MM418696;C#CC(C)CC(C)(O)C=C;XXNKCBJUTRIEHD-UHFFFAOYSA-N;138.21;1.58;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4_Nda";;;;;;;2.2;;0.49;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM418697;MM418697;COC(C)CCOC=NN;CCJIYKFNZKWQAU-UHFFFAOYSA-N;146.19;0.33;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_Nda";;;;;;;0.87;;-1.99;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM418698;MM418698;N#CC#Cc1cc(O)[nH]n1;SCFBFHXVACRVQD-UHFFFAOYSA-N;133.11;-0.01;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP1_SNda";;;;;;;0.04;;-7.74;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM418699;MM418699;C#CC(=O)CCN(C)C=O;QQWCYTAHBYOJGZ-UHFFFAOYSA-N;139.15;-0.33;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_Na";;;;;;;-0.24;;-3.24;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM418700;MM418700;CC=C(OC)C1CC(C)N1;OOIMNXLQAZDAJW-UHFFFAOYSA-N;141.21;1.29;;;;;DOPC;MDCG;27;1;"MARTINI bead: SNda_SP1";;;;;;;0.04;;-4.63;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM418701;MM418701;C=CC=NN(C)CC(C)=O;BSIQQNVVVJHKJK-UHFFFAOYSA-N;140.19;0.68;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_N0";;;;;;;0.34;;-1.53;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM418702;MM418702;C#CCC(CN)C1CC1C;MMXXZRLKXRAMAM-UHFFFAOYSA-N;137.23;1.24;;;;;DOPC;MDCG;27;1;"MARTINI bead: SC5_Nd";;;;;;;1.64;;-2.67;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM418703;MM418703;CC(CF)OCOC=NN;JVKQZNKJHWMVIK-UHFFFAOYSA-N;150.15;0.24;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_P1";;;;;;;0.04;;-2.54;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM418704;MM418704;CN=c1nnc(C)c(C)o1;BTJSCDSIKMSEEX-UHFFFAOYSA-N;139.16;0.22;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP2_SP2";;;;;;;-1.34;;-4.31;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM418705;MM418705;CC=C(CC)C1CC(C)O1;OAYCLIOJJZBTLL-UHFFFAOYSA-N;140.23;2.52;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC4_SNa";;;;;;;2.2;;0.34;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM418706;MM418706;C#CCC(NC)C1CC1O;FLRYMZDBLRMMME-UHFFFAOYSA-N;139.2;-0.02;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_SP1";;;;;;;0.04;;-4.98;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM418707;MM418707;C#CC(C)C1CC1(O)CC;CFVXEMOWEFHBTI-UHFFFAOYSA-N;138.21;1.42;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNda_C5";;;;;;;1.64;;0.05;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM418708;MM418708;C=C(C)C(=C)CC(O)CC;XDEDENDOTSSOIY-UHFFFAOYSA-N;140.23;2.28;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda_C1";;;;;;;2.91;;0.57;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM418709;MM418709;C=CCc1cc(CO)[nH]n1;JJNSAOZBXZWWKN-UHFFFAOYSA-N;138.17;0.63;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP1_SNda";;;;;;;0.04;;-2.73;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM418710;MM418710;CN(C)C(=O)COC=NN;MSWWCJRDBLEEGK-UHFFFAOYSA-N;145.16;-1.01;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_P1";;;;;;;-1.06;;-3.82;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM418711;MM418711;CC=C(OC)C1CC(C)O1;PZPXPLAOYVCTPC-UHFFFAOYSA-N;142.2;1.71;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNa_SNa";;;;;;;0.87;;-2.22;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM418712;MM418712;C#CCC(C=C)C1CC1C;GULHZDGEYAPNOP-UHFFFAOYSA-N;134.22;2.47;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC5_C3";;;;;;;3.34;;0.48;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM418713;MM418713;CCC1C=CC(O)(CC)C1;NIKLQEOTKVEOSY-UHFFFAOYSA-N;140.23;2.11;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC2_SC5";;;;;;;3.6;;0.34;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM418714;MM418714;CNN=CNC(=NO)OC;LZYJUTXWRSBBKV-UHFFFAOYSA-N;146.15;-0.87;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_P2";;;;;;;-1.34;;-4.31;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM418715;MM418715;N#CCc1cc(CO)n[nH]1;FDYHISCXESWZAM-UHFFFAOYSA-N;137.14;-0.03;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP1_SNd";;;;;;;0.04;;-2.63;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM418716;MM418716;Cc1nnc(=NO)oc1C;VSIRMVJZNJIGHX-UHFFFAOYSA-N;141.13;-0.02;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP2_SP3";;;;;;;-2.2;;-5.19;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM418717;MM418717;CCC1=CC(O)(CC)CC1;UVJUDJWFAIJWEN-UHFFFAOYSA-N;140.23;2.26;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC2_SC5";;;;;;;3.6;;0.34;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM418718;MM418718;CC=C(CN)C1CN(C)C1;BCFCXJUFPRWTEA-UHFFFAOYSA-N;140.23;0.45;;;;;DOPC;MDCG;27;1;"MARTINI bead: SNd_SNd";;;;;;;0.87;;-4.4;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM418719;MM418719;C=CCc1cc(CF)n[nH]1;JGYWYCSDZDOHFG-UHFFFAOYSA-N;140.16;1.61;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNda_SNd";;;;;;;0.87;;-1.92;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM418720;MM418720;CC=CC=NN=CCF;MURXDDRYXFQCAW-UHFFFAOYSA-N;128.15;1.59;;;;;DOPC;MDCG;27;0;"MARTINI bead: C2_P1";;;;;;;2;;0.29;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM418721;MM418721;CC(C=O)N1C(C)C1(C)C;UDRLPFXDOQVVEX-UHFFFAOYSA-N;141.21;1.06;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_SN0";;;;;;;0.06;;-2.21;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM418722;MM418722;Cn1nc(N)c(F)cc1=O;OOYBLTBFYXCZCB-UHFFFAOYSA-N;143.12;-0.5;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP2_SP1";;;;;;;-1.06;;-3.82;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM418723;MM418723;CN=C(NC)C1CN(C)C1;TVMPCNLNSRWXHA-UHFFFAOYSA-N;141.22;-0.2;;;;;DOPC;MDCG;27;1;"MARTINI bead: SP2_SNd";;;;;;;-0.24;;-7.22;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM418724;MM418724;N#CCc1cc(CF)n[nH]1;KKWJEKBDBHWTKI-UHFFFAOYSA-N;139.13;0.95;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNda_SNd";;;;;;;0.87;;-1.92;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM418725;MM418725;CC=C(OC)N(C)C=NO;AGXFUDSOPOBGPT-UHFFFAOYSA-N;144.17;0.84;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_P1";;;;;;;0.81;;-0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM418726;MM418726;C#CCC(C=C)C1CC1F;KUVBLSNQYCHMAW-UHFFFAOYSA-N;138.19;2.17;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNa_C3";;;;;;;2.57;;0.45;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM418727;MM418727;C=CCC(O)CCC(=C)C;RGIGUGAGWJMEPF-UHFFFAOYSA-N;140.23;2.28;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1_Nda";;;;;;;2.91;;0.57;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM418728;MM418728;C=CC1CCC(O)(C=C)C1;YPQAXTOHYXIXNO-UHFFFAOYSA-N;138.21;1.89;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC5_SC2";;;;;;;3.6;;0.34;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM418729;MM418729;CN=C(NN)C1CN(C)C1;UEIQIRYBSOKTJL-UHFFFAOYSA-N;142.21;-0.96;;;;;DOPC;MDCG;27;1;"MARTINI bead: SP2_SNd";;;;;;;-0.24;;-5.59;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM418730;MM418730;C=CC(F)CCOC=NN;LGFZLXXMLXTJQT-UHFFFAOYSA-N;146.17;0.82;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_C4";;;;;;;1.37;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM418731;MM418731;CCC(=NO)NN=CCO;CKRHTFBBYKCVIN-UHFFFAOYSA-N;145.16;-0.25;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda_P2";;;;;;;-0.24;;-3.31;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM418732;MM418732;C#CCC(C#C)C1CC1C;LPNFJQLMQJGNSH-UHFFFAOYSA-N;132.21;1.92;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC5_C5";;;;;;;2.41;;0.64;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM418733;MM418733;C#CC(=O)C(=C)C1(C)CN1;MENYTSJCFHXAJO-UHFFFAOYSA-N;135.17;0.11;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP1_Na";;;;;;;0.04;;-2.54;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM418734;MM418734;Cc1nnc(=NO)oc1N;IWQIVROOUXQWSD-UHFFFAOYSA-N;142.12;-0.75;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP3_SP3";;;;;;;-3.07;;-6.15;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM418735;MM418735;C=CC(C)OCOC=NN;UHLRNTGRUZCUOA-UHFFFAOYSA-N;144.17;0.45;;;;;DOPC;MDCG;27;0;"MARTINI bead: C3_P3";;;;;;;0.6;;-0.8;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM418736;MM418736;CN=C(NN)N1CC(C)C1;LKQYVTDRRQOREQ-UHFFFAOYSA-N;142.21;-0.61;;;;;DOPC;MDCG;27;1;"MARTINI bead: SP1_SP1";;;;;;;-0.79;;-7.49;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM418737;MM418737;CNN=C(CC(F)F)OC;KWJUVBLWSYGUIS-UHFFFAOYSA-N;152.14;0.82;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_N0";;;;;;;0.34;;-1.53;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM418738;MM418738;C#CCOC(C)=NNCC;OBFXBTZFIOKICE-UHFFFAOYSA-N;140.19;0.58;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_N0";;;;;;;0.34;;-1.53;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM418739;MM418739;C#CCC(C#C)C1CC1N;ZWZDLCJUCBGPMH-UHFFFAOYSA-N;133.19;0.61;;;;;DOPC;MDCG;27;1;"MARTINI bead: SP1_C5";;;;;;;0.81;;-3.08;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM418740;MM418740;CN=C(C#N)NC=C(F)F;RNRAKYPFXZJETP-UHFFFAOYSA-N;145.11;0.87;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_C4";;;;;;;1.09;;-0.38;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM418741;MM418741;CN=C(NN)N1CC(O)C1;NSBPTGXHDNLFIB-UHFFFAOYSA-N;144.18;-1.89;;;;;DOPC;MDCG;27;1;"MARTINI bead: SP1_SP2";;;;;;;-1.06;;-7.24;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM418742;MM418742;C=CC(=CC(C)=O)NN=C;QMVSPFGKOSERHD-UHFFFAOYSA-N;138.17;0.85;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_C5";;;;;;;1.64;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM418743;MM418743;CN(C=O)CCOC=NN;DZLOSZBDMHHDNX-UHFFFAOYSA-N;145.16;-1.01;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_P1";;;;;;;-1.06;;-3.82;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM418744;MM418744;CCC(=O)N(C)C=NNC;MZXAXHAXJAFZDX-UHFFFAOYSA-N;143.19;0.02;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_P2";;;;;;;0.54;;-1.09;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM418745;MM418745;C#CC(=O)CCC=NN=C;APHBRNMMDUERCT-UHFFFAOYSA-N;136.15;0.66;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_Na";;;;;;;1.64;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM418746;MM418746;NC=CC=NN=CCF;AUCQMUSWZVFLOI-UHFFFAOYSA-N;129.14;0.48;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_C5";;;;;;;0.54;;-1.09;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM418747;MM418747;C=CC(=CF)C1CC(C)C1;BJECJRNMAIYEAB-UHFFFAOYSA-N;140.2;3.07;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC4_SC3";;;;;;;3.9;;0.47;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM418748;MM418748;N=c1cnc(=O)oc(N)n1;OGTOEHBYBMVLAF-UHFFFAOYSA-N;140.1;-1.51;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP3_SP3";;;;;;;-3.07;;-6.15;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM418749;MM418749;COc1cc(CC#N)[nH]n1;DPIBBZWIHOYOCB-UHFFFAOYSA-N;137.14;0.48;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNda_SNd";;;;;;;0.87;;-1.92;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM418750;MM418750;Nc1nnc(=NO)oc1N;KRHMWJZZSZIYMH-UHFFFAOYSA-N;143.11;-1.48;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP4_SP3";;;;;;;-3.15;;-6.87;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM418751;MM418751;COC(=NO)N(C)C=CF;FAPVGGBPWXOJCM-UHFFFAOYSA-N;148.14;0.75;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_C5";;;;;;;0.81;;-0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM418752;MM418752;CC=CC(C=O)C1CC1F;KVJZATBOUXHYFA-UHFFFAOYSA-N;142.17;1.74;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_SNa";;;;;;;1.64;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM418753;MM418753;COC=NNCCC(C)=O;KXJMVDATUJEQEW-UHFFFAOYSA-N;144.17;0.14;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_Na";;;;;;;0.04;;-2.54;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM418754;MM418754;CC=C(C#N)C1CC(C)C1;ROUUYKTWZXDFAU-UHFFFAOYSA-N;135.21;2.5;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC4_SC4";;;;;;;3.53;;0.53;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM418755;MM418755;CN(C=O)OCOC=NN;LAEVOKUSIAIMSL-UHFFFAOYSA-N;147.13;-1.12;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_P2";;;;;;;-1.34;;-4.31;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM418756;MM418756;CN=C(OC)N(N)C=CF;LEZXNUHACXQCIG-UHFFFAOYSA-N;147.15;0.24;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_C5";;;;;;;0.81;;-0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM418757;MM418757;C=NN(CC#N)CC(=O)O;BHZWINYCJPYINC-UHFFFAOYSA-N;141.13;-0.49;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_P1";;;;;;;-0.79;;-8.21;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM418758;MM418758;CC#CC(OC)C1CC1F;ZUVLLDXOWCTQNA-UHFFFAOYSA-N;142.17;1.38;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_SNa";;;;;;;1.64;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM418759;MM418759;C#CC(C)CCOC=NN;NAWNRQUTZAKJCM-UHFFFAOYSA-N;140.19;0.56;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4_P1";;;;;;;1.37;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM418760;MM418760;C=CCNN=COC(C)C;BDQBRQDNEBNFML-UHFFFAOYSA-N;142.2;1.13;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_Nd";;;;;;;0.87;;-1.88;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM418761;MM418761;CC1CC(C(C=O)=CN)C1;FCJPOIMZXSHBFW-UHFFFAOYSA-N;139.2;1.07;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC4_SNda";;;;;;;2.2;;0.49;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM418762;MM418762;CC1(C=O)NC1C(=O)O;WVOKBGONJYHGAZ-UHFFFAOYSA-N;129.12;-1;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP2_P1";;;;;;;-1.06;;-8.69;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM418763;MM418763;C=CC=NNC=C(C)C=O;AQNPCPWUKXYOAG-UHFFFAOYSA-N;138.17;0.85;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_Nd";;;;;;;0.87;;-1.88;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM418764;MM418764;C=CC(C#CC)C1CC1N;BTVYIWWSWUOFOB-UHFFFAOYSA-N;135.21;1.16;;;;;DOPC;MDCG;27;1;"MARTINI bead: C3_SP1";;;;;;;1.74;;-1.92;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM418765;MM418765;CC1CC(C(C#N)=CN)C1;HEFDBHJDEZXWRD-UHFFFAOYSA-N;136.2;1.4;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC4_SNd";;;;;;;2.2;;0.32;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM418766;MM418766;C=CCc1cc(CC)on1;FRDUEUIABHHVOC-UHFFFAOYSA-N;137.18;1.97;;;;;DOPC;MDCG;27;0;"MARTINI bead: SN0_SC5";;;;;;;1.94;;0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM418767;MM418767;C#CCCC1C(C)C1(C)O;LCFNYYSNTAXOIF-UHFFFAOYSA-N;138.21;1.42;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_SNda";;;;;;;1.64;;0.05;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM418768;MM418768;C#CC(C(=O)O)=C(N)C=C;QCBICEHUEBFOTQ-UHFFFAOYSA-N;137.14;0.1;;;;;DOPC;MDCG;27;0;"MARTINI bead: N0_P1";;;;;;;0.34;;-6.59;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM418769;MM418769;CN(C=O)C(C=NN)=NN;GZBSJJSKYXJBIQ-UHFFFAOYSA-N;143.15;-1.71;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_P2";;;;;;;-1.34;;-4.31;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM418770;MM418770;C#CC(C#CC)C1CC1C;XRVJPVLLHFPVAO-UHFFFAOYSA-N;132.21;1.92;;;;;DOPC;MDCG;27;0;"MARTINI bead: C3_SC5";;;;;;;3.34;;0.48;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM418771;MM418771;CC1CC(C(C#N)=CF)C1;OZNXRBHAYBBKCQ-UHFFFAOYSA-N;139.17;2.41;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC4_SC5";;;;;;;2.97;;0.45;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM418772;MM418772;CCc1cc(CC#N)no1;ZKFPWDBPZCUNNC-UHFFFAOYSA-N;136.15;1.3;;;;;DOPC;MDCG;27;0;"MARTINI bead: SN0_SNa";;;;;;;1.17;;-1.18;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM418773;MM418773;C=C(C)C1(C)C(=O)CN1C;FOHDPQIEQOPOLD-UHFFFAOYSA-N;139.2;0.84;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP2_SN0";;;;;;;0.06;;-2.21;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM418774;MM418774;CCOC(=O)C(C=O)C=O;HMFLBGNCDZYITR-UHFFFAOYSA-N;144.13;-0.44;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_Na";;;;;;;0.87;;-7.33;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM418775;MM418775;COC(=NN)N(C)C=NO;MVTKUVVCPUAFQO-UHFFFAOYSA-N;146.15;-0.79;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_P1";;;;;;;-0.79;;-3.13;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM418776;MM418776;C#CC(C#CC)C1CC1N;FSUHURYOJUMOCN-UHFFFAOYSA-N;133.19;0.61;;;;;DOPC;MDCG;27;1;"MARTINI bead: C3_SP1";;;;;;;1.74;;-1.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM418777;MM418777;C=CC(=CC)C1CC(N)C1;QUSOUXNNHUOEFC-UHFFFAOYSA-N;137.23;1.86;;;;;DOPC;MDCG;27;1;"MARTINI bead: SC1_SNd";;;;;;;2.91;;-0.56;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM418778;MM418778;C=CCc1cc(CO)on1;CEACTPLHPSTZKV-UHFFFAOYSA-N;139.15;0.9;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP1_SC5";;;;;;;0.81;;-0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM418779;MM418779;OC=C1C=C(F)N=N1;MUXALQZKQWJEON-UHFFFAOYSA-N;114.08;1.66;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNda_SNa";;;;;;;0.87;;-7.14;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM418780;MM418780;CC(=O)c1cnnc(=N)o1;AZMURPHEDFIXRA-UHFFFAOYSA-N;139.11;-0.25;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP2_SP3";;;;;;;-2.2;;-5.19;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM418781;MM418781;COC(=NO)N(C)C=NN;VSXHDNFJZBVXHK-UHFFFAOYSA-N;146.15;-0.79;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_P1";;;;;;;-0.79;;-3.13;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM418782;MM418782;CC1C2CC1(O)C1CC21;DDNNLQLIGRTUKI-UHFFFAOYSA-N;124.18;1.02;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNda_SC5";;;;;;;1.64;;0.05;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM418783;MM418783;C=CC(=CF)C1CC(N)C1;HIOAGYSKZODJHH-UHFFFAOYSA-N;141.19;1.76;;;;;DOPC;MDCG;27;1;"MARTINI bead: SNd_SC3";;;;;;;2.57;;-1.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM418784;MM418784;C=CCc1cc(CF)on1;VAAURYVSEHLHEL-UHFFFAOYSA-N;141.15;1.87;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNa_SC5";;;;;;;1.64;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM418785;MM418785;C=CC(C)(C#N)NCC=O;ZENWSDCXILCXFP-UHFFFAOYSA-N;138.17;0.24;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_Na";;;;;;;0.04;;-2.54;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM418786;MM418786;CONC(=O)C(=O)O;KPZARQPYRLQORR-UHFFFAOYSA-N;119.08;-1.25;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_P1";;;;;;;-1.06;;-8.69;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM418787;MM418787;COC(=NO)N(C)C=NO;WMWPAXZOMQMDGY-UHFFFAOYSA-N;147.13;-0.27;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_P1";;;;;;;-0.79;;-3.13;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM418788;MM418788;C#CC(C#CC)C1CC1F;LHMVBXOIMFJYKU-UHFFFAOYSA-N;136.17;1.62;;;;;DOPC;MDCG;27;0;"MARTINI bead: C3_SNa";;;;;;;2.57;;0.45;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM418789;MM418789;N#CCc1cc(CF)on1;XHULDDXGSIIKLY-UHFFFAOYSA-N;140.12;1.21;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNa_SNa";;;;;;;0.87;;-2.22;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM418790;MM418790;CC1CC1(O)CC1(C)CC1;OZHOJWLMEVAUHH-UHFFFAOYSA-N;140.23;1.95;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNda_SC4";;;;;;;2.2;;0.49;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM418791;MM418791;C#CC(C)=NNC(=N)C#N;VHOUUIWSYGARFS-UHFFFAOYSA-N;134.14;0.09;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_C5";;;;;;;0.54;;-1.09;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM418792;MM418792;O=CC(O)C#CC(=O)O;XZMGBJWHHROHFF-UHFFFAOYSA-N;128.08;-1.37;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_P1";;;;;;;-1.06;;-8.69;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM418793;MM418793;CNN=C(OC)C(C)=CN;KDKLDIQZCLCSIO-UHFFFAOYSA-N;143.19;0.03;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_Nda";;;;;;;-0.24;;-3.31;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM418794;MM418794;C=CCc1cc(OC)on1;UHMARCXVOPBVNN-UHFFFAOYSA-N;139.15;1.41;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNa_SC5";;;;;;;1.64;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM418795;MM418795;CC=CCC(C)C(C)(C)O;LQWQPHMYZFMNJL-UHFFFAOYSA-N;142.24;2.36;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1_Nda";;;;;;;2.91;;0.57;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM418796;MM418796;C=CC(=CC)C1CC(F)C1;PKPVXDHRNXGDQV-UHFFFAOYSA-N;140.2;2.87;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC1_SC5";;;;;;;3.68;;0.46;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM418797;MM418797;N#CC1(CCC(=O)O)CO1;XCVZNQGDKWDJHK-UHFFFAOYSA-N;141.13;0.14;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_SNa";;;;;;;0.04;;-7.62;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM418798;MM418798;ON=C(NO)NN=CCF;KXBJMKGHFHFZKP-UHFFFAOYSA-N;150.11;-0.74;;;;;DOPC;MDCG;27;0;"MARTINI bead: P4_C5";;;;;;;-0.41;;-2.78;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM418799;MM418799;C=NNC=C(C#N)C=CC;PVJRIMZIOJMQLF-UHFFFAOYSA-N;135.17;1.18;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4_P1";;;;;;;1.37;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM418800;MM418800;COc1cc(CC#N)no1;BZQYOJJBVGERBC-UHFFFAOYSA-N;138.13;0.75;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNa_SNa";;;;;;;0.87;;-2.22;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM418801;MM418801;C#CCC(=CC)C1CC1F;LSKARQYPHRNHQG-UHFFFAOYSA-N;138.19;2.31;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1_SNa";;;;;;;2.91;;0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM418802;MM418802;CC=C(C=O)C1CC(F)C1;NOSQSTHATOPHKN-UHFFFAOYSA-N;142.17;1.88;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC4_SC5";;;;;;;2.97;;0.45;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM418803;MM418803;O=c1c(O)non1C=CF;RICONECYKLFYMC-UHFFFAOYSA-N;146.08;-0.06;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP1_SP1";;;;;;;-0.79;;-8.21;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM418804;MM418804;CN=CNNC(=NO)NC;YBRBGDQQWUIVAQ-UHFFFAOYSA-N;145.17;-1.3;;;;;DOPC;MDCG;27;1;"MARTINI bead: P3_N0";;;;;;;-0.8;;-4.36;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM418805;MM418805;C#CC(C(=C)C)C(O)CC;RVQFIDPFRLEPRK-UHFFFAOYSA-N;138.21;1.58;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda_C4";;;;;;;2.2;;0.49;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM418806;MM418806;C=COc1cc(CC)on1;CNLGPQYKYPWNDV-UHFFFAOYSA-N;139.15;1.76;;;;;DOPC;MDCG;27;0;"MARTINI bead: SN0_SNa";;;;;;;1.17;;-1.18;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM418807;MM418807;CC#CC(=CC)C1CC1C;UNHSQKPSDUFOHF-UHFFFAOYSA-N;134.22;2.61;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1_SC5";;;;;;;3.68;;0.46;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM418808;MM418808;N#CC(=CN)C1CC(F)C1;CZBJSGBWLKMMSM-UHFFFAOYSA-N;140.16;1.1;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNd_SC5";;;;;;;1.64;;0.02;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM418809;MM418809;CN=c1nnc(C)c(F)o1;RCYFYWOXNLCTEO-UHFFFAOYSA-N;143.12;0.05;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP2_SP2";;;;;;;-1.34;;-4.31;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM418810;MM418810;CC=C(CC)OC=CCC;GMSOPMNPTFGEEA-UHFFFAOYSA-N;140.23;3.24;;;;;DOPC;MDCG;27;0;"MARTINI bead: C3_C4";;;;;;;3.9;;0.47;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM418811;MM418811;CC=C(C#N)CNCC=O;JRHYGGDSYXTVJW-UHFFFAOYSA-N;138.17;0.24;;;;;DOPC;MDCG;27;0;"MARTINI bead: N0_P2";;;;;;;0.06;;-2.21;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM418812;MM418812;C=COc1cc(CO)on1;AIORTHVENQEFCC-UHFFFAOYSA-N;141.13;0.69;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP1_SNa";;;;;;;0.04;;-2.54;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM418813;MM418813;CC=CCCC(C)(O)CC;OFMAYPAPILZACH-UHFFFAOYSA-N;142.24;2.5;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_C2";;;;;;;3.6;;0.34;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM418814;MM418814;Cc1nnc(=NN)oc1F;OYXUAQAYXATQHI-UHFFFAOYSA-N;144.11;-0.71;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP3_SP2";;;;;;;-2.2;;-5.19;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM418815;MM418815;N#CC(=CF)C1CC(F)C1;MNBBDDCPHQDDLX-UHFFFAOYSA-N;143.14;2.11;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC5_SC5";;;;;;;2.41;;0.64;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM418816;MM418816;CC=C(CC)OC=CCN;DZVZOODFIXLDSR-UHFFFAOYSA-N;141.21;1.79;;;;;DOPC;MDCG;27;1;"MARTINI bead: C1_P2";;;;;;;1.8;;-1.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM418817;MM418817;COC(=NO)N(O)C=NO;YMWQKNQNAYGUCF-UHFFFAOYSA-N;149.11;-0.51;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_P1";;;;;;;-1.06;;-3.82;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM418818;MM418818;CC#CC(=CC)C1CC1F;LNEQDUJUKDBTSH-UHFFFAOYSA-N;138.19;2.31;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1_SNa";;;;;;;2.91;;0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM418819;MM418819;C#CC(F)CCOC=NN;FNDXIKDHBUVASM-UHFFFAOYSA-N;144.15;0.27;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_C5";;;;;;;0.81;;-0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM418820;MM418820;CN(C=O)N=CNC=CF;LCQZLMDMFFJOTP-UHFFFAOYSA-N;145.14;0.05;;;;;DOPC;MDCG;27;0;"MARTINI bead: P3_C5";;;;;;;-0.33;;-2.01;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM418821;MM418821;CC=C(CC)OC=CCO;PBMXSGDUUNIRBC-UHFFFAOYSA-N;142.2;1.82;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1_P2";;;;;;;1.8;;0.4;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM418822;MM418822;C=CC(=NN)C1CC(C)C1;BJWKKIHVOCBEKW-UHFFFAOYSA-N;138.21;1.53;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC4_SC5";;;;;;;2.97;;0.45;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM418823;MM418823;CC=NN(C)C(CC)=NO;NBYFIWIFCJLKEA-UHFFFAOYSA-N;143.19;1.12;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_C5";;;;;;;0.81;;-0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM418824;MM418824;CC#CC(=CC)C1NC1C;BKZIUEYQIMOTAO-UHFFFAOYSA-N;135.21;1.32;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1_SP1";;;;;;;2.08;;0.53;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM418825;MM418825;C=C(CC)CCOC=NN;OCEFXDJZIJLBAZ-UHFFFAOYSA-N;142.2;1.26;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1_P1";;;;;;;2.08;;0.48;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM418826;MM418826;C#CC(F)C=NOC=NN;OQFBLMGELBRWGR-UHFFFAOYSA-N;143.12;-0.14;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_C5";;;;;;;0.54;;-1.09;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM418827;MM418827;CCC=COC(=CF)CC;VXOYQPNZRWUEGA-UHFFFAOYSA-N;144.19;3.15;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_C3";;;;;;;3.34;;0.48;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM418828;MM418828;N=C1N=NC(=CO)O1;FCGKMXCBGRPEGT-UHFFFAOYSA-N;113.08;0.76;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP1_SP1";;;;;;;-0.79;;-8.59;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM418829;MM418829;C=CC(=CC)C(C)C=CC;HWWQGJRXFSSMRW-UHFFFAOYSA-N;136.24;3.33;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1_C1";;;;;;;4.95;;0.69;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM418830;MM418830;C#CC=C(CC)C1CC1N;KZMJMUQOASPEHG-UHFFFAOYSA-N;135.21;1.3;;;;;DOPC;MDCG;27;1;"MARTINI bead: C1_SP1";;;;;;;2.08;;-0.98;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM418831;MM418831;C=C(CF)CCOC=NN;SYSSCZUINDXYKV-UHFFFAOYSA-N;146.17;0.82;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_C4";;;;;;;1.37;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM418832;MM418832;C=C(C(=O)O)C(O)CC#N;WWKAYEPBUQFZIL-UHFFFAOYSA-N;141.13;-0.1;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda_P1";;;;;;;0.04;;-7.75;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM418833;MM418833;CCC(=CF)OC=CCO;JNSXPADEXNDXAP-UHFFFAOYSA-N;146.16;1.73;;;;;DOPC;MDCG;27;0;"MARTINI bead: C3_P2";;;;;;;1.46;;-0.15;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM418834;MM418834;CCON(C)C(=O)C=NN;UAELAWBMTODKQR-UHFFFAOYSA-N;145.16;-0.66;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_P3";;;;;;;-0.33;;-2.01;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM418835;MM418835;C=CC(=CC)C(C)C=CF;IGMZSTGSZQYPGS-UHFFFAOYSA-N;140.2;3.24;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1_C3";;;;;;;4.61;;0.31;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM418836;MM418836;C=CC=C(C#N)C1CC1C;CGKBFWVXHKJFCO-UHFFFAOYSA-N;133.19;2.28;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC5_C5";;;;;;;2.41;;0.64;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM418837;MM418837;C=CCc1c[nH]c(OC)n1;LIFNXLPLHFOFOE-UHFFFAOYSA-N;138.17;1.15;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNda_SNda";;;;;;;0.87;;-2.07;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM418838;MM418838;CC=C(CN)OC=CCC;CQNOKAKLUACQKX-UHFFFAOYSA-N;141.21;1.79;;;;;DOPC;MDCG;27;1;"MARTINI bead: C3_P1";;;;;;;1.74;;-0.78;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM418839;MM418839;N#Cc1cc(O)on1;WFPUUVHOXBEJLF-UHFFFAOYSA-N;110.07;0.25;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNda_SNa";;;;;;;0.87;;-7.14;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM418840;MM418840;C=CC(=NO)C1CC(O)C1;NPAOPZYKMHULSS-UHFFFAOYSA-N;141.17;0.77;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC5_SNda";;;;;;;1.64;;0.05;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM418841;MM418841;CC=CC(C)C(C#N)=CC;DNYZSNOKNMSKTC-UHFFFAOYSA-N;135.21;2.67;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1_N0";;;;;;;3.21;;0.46;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM418842;MM418842;N#CC=C(C#N)C1CC1O;MMBFJLJIBJUAGP-UHFFFAOYSA-N;134.14;0.34;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP1_P1";;;;;;;-0.79;;-3.13;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM418843;MM418843;COc1nc(CC#N)c[nH]1;SLTUCUHOGAKRAW-UHFFFAOYSA-N;137.14;0.48;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNda_SNda";;;;;;;0.87;;-2.07;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM418844;MM418844;N=c1c(N)c[nH]nnc1=O;WRTNAIIZONILBB-UHFFFAOYSA-N;139.12;-1.77;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP2_SP3";;;;;;;-2.2;;-9.61;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM418845;MM418845;CC(F)C(=NO)C(O)C#N;ZFITYRMXOHSKGN-UHFFFAOYSA-N;146.12;0.06;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_P3";;;;;;;-0.33;;-6.21;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM418846;MM418846;CC=C(CN)OC=CCN;OXMYFANVMKOLGH-UHFFFAOYSA-N;142.2;0.34;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nda_P1";;;;;;;0.04;;-4.96;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM418847;MM418847;N#CC=C(C#N)C1CC1F;IHJBLQQSFQCMMF-UHFFFAOYSA-N;136.13;1.32;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNa_P1";;;;;;;0.04;;-2.54;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM418848;MM418848;CC(C=CF)C(C=O)=CF;JNBLFVOIMDBJAO-UHFFFAOYSA-N;146.14;2.16;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_C5";;;;;;;2.41;;0.64;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM418849;MM418849;C=CC(=NN)C1CC(F)C1;JSJITXOMYJJEGB-UHFFFAOYSA-N;142.18;1.24;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC5_SC5";;;;;;;2.41;;0.64;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM418850;MM418850;CN=c1nnc(F)c(F)o1;QLDOMYPZYPGGIB-UHFFFAOYSA-N;147.08;-0.12;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP2_SP1";;;;;;;-1.06;;-3.82;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM418851;MM418851;CC=C(CN)OC=CCF;OATHXBFPOGALPE-UHFFFAOYSA-N;145.18;1.35;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_Na";;;;;;;0.87;;-3.31;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM418852;MM418852;C=COc1c[nH]c(CO)n1;CPJJGDVXZTXSSS-UHFFFAOYSA-N;140.14;0.42;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP1_SNda";;;;;;;0.04;;-2.73;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM418853;MM418853;CC(C=CF)C(C#N)=CF;RGQCYQDJFRSSLO-UHFFFAOYSA-N;143.14;2.48;;;;;DOPC;MDCG;27;0;"MARTINI bead: C3_Na";;;;;;;2.57;;0.45;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM418854;MM418854;C#CC=C(C=O)C1CC1C;GNWFNLOOYVZAOL-UHFFFAOYSA-N;134.18;1.4;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC5_Na";;;;;;;1.64;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM418855;MM418855;NN=c1nnc(F)c(F)o1;YZCSSSCHVPSSDW-UHFFFAOYSA-N;148.07;-0.88;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP3_SP1";;;;;;;-1.93;;-4.72;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM418856;MM418856;C=CC(=NO)C1CC(F)C1;ROPBIEUJNZFQOW-UHFFFAOYSA-N;143.16;1.75;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC5_SC5";;;;;;;2.41;;0.64;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM418857;MM418857;CC=C(CO)OC=CCC;SQRNEMFYNZZNFP-UHFFFAOYSA-N;142.2;1.82;;;;;DOPC;MDCG;27;0;"MARTINI bead: C3_P1";;;;;;;1.74;;0.29;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM418858;MM418858;C=C(CCOC=NN)OC;FXUPLDOLXAAFNQ-UHFFFAOYSA-N;144.17;0.46;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_P1";;;;;;;0.81;;-0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM418859;MM418859;N#CC(=CN)CNCC=O;MHFLLXKFLMZJIF-UHFFFAOYSA-N;139.16;-0.86;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_P2";;;;;;;-1.06;;-3.82;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM418860;MM418860;C#CC=C(C#N)C1CC1C;FCTNVVPMAQTAIN-UHFFFAOYSA-N;131.18;1.73;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC5_C5";;;;;;;2.41;;0.64;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM418861;MM418861;CCC1=COC(C)=C(C)C1;JHRHKEKDVDZCAU-UHFFFAOYSA-N;138.21;2.99;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC4_SC4";;;;;;;3.53;;0.53;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM418862;MM418862;N=c1nc(O)oc(=O)[nH]1;JNIUZCFXMZJPHT-UHFFFAOYSA-N;129.08;-1.45;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP3_SP3";;;;;;;-3.07;;-10.27;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM418863;MM418863;CCC=COC(=CF)CO;NAVGGRRKOSPUHQ-UHFFFAOYSA-N;146.16;1.73;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_Nda";;;;;;;1.64;;0.05;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM418864;MM418864;C=CCc1coc(CC)n1;JFHMOLBGFHACKY-UHFFFAOYSA-N;137.18;1.97;;;;;DOPC;MDCG;27;0;"MARTINI bead: SN0_SNa";;;;;;;1.17;;-1.18;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM418865;MM418865;C=CC(=CC)C(C)C=NO;YAWMETZRDSGDEH-UHFFFAOYSA-N;139.2;2.21;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1_Nda";;;;;;;2.91;;0.57;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM418866;MM418866;C#CC=C(C=C)C1CC1N;OLLZNVIXQIYZCL-UHFFFAOYSA-N;133.19;1.08;;;;;DOPC;MDCG;27;1;"MARTINI bead: SP1_C3";;;;;;;1.74;;-1.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM418867;MM418867;CC1=C(C)OC=C(CN)C1;ZPSDRRQDBOBVBY-UHFFFAOYSA-N;139.2;1.54;;;;;DOPC;MDCG;27;1;"MARTINI bead: SC4_SNd";;;;;;;2.2;;-1.59;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM418868;MM418868;C=CC(=CC)C1CC(C)N1;JBNYGXFAHYSFKJ-UHFFFAOYSA-N;137.23;1.87;;;;;DOPC;MDCG;27;1;"MARTINI bead: SC5_SP1";;;;;;;0.81;;-3.2;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM418869;MM418869;CC=C(CF)OC=CCN;PMKSPCURZLIHCW-UHFFFAOYSA-N;145.18;1.35;;;;;DOPC;MDCG;27;1;"MARTINI bead: C4_P2";;;;;;;1.09;;-2.51;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM418870;MM418870;CCc1nc(CC#N)co1;PLTMZTPTJNJBDX-UHFFFAOYSA-N;136.15;1.3;;;;;DOPC;MDCG;27;0;"MARTINI bead: SN0_SNa";;;;;;;1.17;;-1.18;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM418871;MM418871;C=CC(=CF)C(C)C=NO;MNSHEJVGLGLYSC-UHFFFAOYSA-N;143.16;2.12;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda_C4";;;;;;;2.2;;0.49;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM418872;MM418872;CCC1=CC(C)C(C)(O)C1;OXQJCKMWMNDFHH-UHFFFAOYSA-N;140.23;2.11;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC2_SNda";;;;;;;2.83;;0.57;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM418873;MM418873;CC1=C(C)OC=C(CO)C1;AKMRGHZHBZYOKA-UHFFFAOYSA-N;140.18;1.58;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC4_SNda";;;;;;;2.2;;0.49;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM418874;MM418874;C#CC(=CC)C1CC(C)C1;GFHVSHJYIBFKLF-UHFFFAOYSA-N;134.22;2.61;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC2_SC4";;;;;;;4.16;;0.44;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM418875;MM418875;CC=C(CC)OC=COC;QYESJDQSFOHGNA-UHFFFAOYSA-N;142.2;2.43;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4_Na";;;;;;;2.2;;0.34;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM418876;MM418876;C=CCc1coc(CO)n1;QMBURORRCJBJQF-UHFFFAOYSA-N;139.15;0.9;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP1_SNa";;;;;;;0.04;;-2.54;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM418877;MM418877;CC(C=NO)C(C=O)=CN;CNRYZPDFRIFAMP-UHFFFAOYSA-N;142.16;0.12;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_Nda";;;;;;;0.04;;-2.73;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM418878;MM418878;C#CC=C(C#N)C1CC1O;PWEAWPRYCGCPJR-UHFFFAOYSA-N;133.15;0.45;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP1_C5";;;;;;;0.81;;-0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM418879;MM418879;C#CC(=CF)C1CC(C)C1;ZSCLDPHOAFOIKY-UHFFFAOYSA-N;138.19;2.52;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC4_SC4";;;;;;;3.53;;0.53;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM418880;MM418880;CC1=C(C)OC=C(CF)C1;BSYROFSQSSYGTF-UHFFFAOYSA-N;142.17;2.55;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC4_SC5";;;;;;;2.97;;0.45;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM418881;MM418881;CC=C(CO)OC=COC;DBBBCBMZTIXUAS-UHFFFAOYSA-N;144.17;1.02;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_C5";;;;;;;0.81;;-0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM418882;MM418882;N#CCc1coc(CO)n1;KOAFAWMKXMEKCY-UHFFFAOYSA-N;138.13;0.23;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP1_SNa";;;;;;;0.04;;-2.54;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM418883;MM418883;C#CC(=CC)C1CC(N)C1;ZGJLNLJDMQDMCZ-UHFFFAOYSA-N;135.21;1.3;;;;;DOPC;MDCG;27;1;"MARTINI bead: SC2_SNd";;;;;;;2.83;;-0.75;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM418884;MM418884;C#CC=C(C#N)C1CC1F;LATYHEBMUFGXSC-UHFFFAOYSA-N;135.14;1.43;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNa_C5";;;;;;;1.64;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM418885;MM418885;O=C(O)C(=O)C(F)=CCO;KVYJBPJQYYCZEQ-UHFFFAOYSA-N;148.09;-0.51;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda_P2";;;;;;;-0.24;;-8;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM418886;MM418886;COC1=COC(C)=C(C)C1;LBNMZMRJMMTLGV-UHFFFAOYSA-N;140.18;2.19;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNa_SC4";;;;;;;2.2;;0.34;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM418887;MM418887;C#CC(=O)CN(C=N)C=O;XZDIJCGEOSHXSA-UHFFFAOYSA-N;138.13;-0.75;;;;;DOPC;MDCG;27;0;"MARTINI bead: P4_Na";;;;;;;-1.19;;-4.76;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM418888;MM418888;C=CCc1coc(CF)n1;JGBWVJFEFCVXCY-UHFFFAOYSA-N;141.15;1.87;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNa_SNa";;;;;;;0.87;;-2.22;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM418889;MM418889;C#Cc1noc(=NO)[nH]1;QMUFLORBUODQOA-UHFFFAOYSA-N;125.09;-0.73;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP3_SP1";;;;;;;-1.93;;-8.96;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM418890;MM418890;C=NNC(=N)C#CC(C)F;PXWVOJSWYUHQHN-UHFFFAOYSA-N;141.15;0.53;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_P2";;;;;;;0.54;;-1.09;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM418891;MM418891;CCC1=COC(C)=C(C)O1;VMOQZGZVYARKSX-UHFFFAOYSA-N;140.18;2.54;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC5_SC5";;;;;;;2.41;;0.64;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM418892;MM418892;CN(OC=O)C(=O)C=NN;FYSDPLAIWIHZHW-UHFFFAOYSA-N;145.12;-1.52;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_P1";;;;;;;-1.06;;-3.82;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM418893;MM418893;C=CC(=CC)CC(O)CC;VORGVGTYVXLBTG-UHFFFAOYSA-N;140.23;2.28;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda_C1";;;;;;;2.91;;0.57;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM418894;MM418894;N#CCc1coc(CF)n1;KXZRASXOIMBQKN-UHFFFAOYSA-N;140.12;1.21;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNa_SNa";;;;;;;0.87;;-2.22;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM418895;MM418895;CC1=C(C)OC(CN)=CO1;QMEAJYMDWQEEFO-UHFFFAOYSA-N;141.17;1.08;;;;;DOPC;MDCG;27;1;"MARTINI bead: SC5_SP1";;;;;;;0.81;;-1.85;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM418896;MM418896;C#CC(=CC)C1CC(F)C1;NZISBONNSRSMEP-UHFFFAOYSA-N;138.19;2.31;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC2_SC5";;;;;;;3.6;;0.34;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM418897;MM418897;Oc1n[nH]c(O)c1F;QUVRGCXNEFEZFW-UHFFFAOYSA-N;118.07;-0.04;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP1_SNda";;;;;;;0.04;;-7.55;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM418898;MM418898;C#CC(=CC=C)C1CC1C;MPZGICBZDHCCDV-UHFFFAOYSA-N;132.21;2.39;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC5_C3";;;;;;;3.34;;0.48;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM418899;MM418899;C=C(CC)OCOC=NN;JLCOVCSSUVBIPR-UHFFFAOYSA-N;144.17;0.8;;;;;DOPC;MDCG;27;0;"MARTINI bead: C3_P3";;;;;;;0.6;;-0.8;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM418900;MM418900;CC=C(CC)OC=NOC;AFTBPCXJPUXSIE-UHFFFAOYSA-N;143.19;1.91;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4_P1";;;;;;;1.37;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM418901;MM418901;CC1=C(C)OC(CO)=CO1;WHOHKZJXNFGEFH-UHFFFAOYSA-N;142.15;1.12;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC5_SNda";;;;;;;1.64;;0.05;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM418902;MM418902;C#CC(=NN)C1CC(C)C1;LHCMCFIZGVWGSF-UHFFFAOYSA-N;136.2;0.98;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC4_SN0";;;;;;;2.5;;0.44;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM418903;MM418903;C#CC(=CC#N)C1CC1C;YWKAWLIJJVYKDM-UHFFFAOYSA-N;131.18;1.73;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC5_C5";;;;;;;2.41;;0.64;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM418904;MM418904;O=C(O)C(=O)C(O)C=NO;FUJXHZIKTGUHDQ-UHFFFAOYSA-N;147.09;-1.54;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_P2";;;;;;;-1.34;;-9.04;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM418905;MM418905;CCON=C(C)C=NNC;ZCUHXQUFGWSBNJ-UHFFFAOYSA-N;143.19;0.6;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_P2";;;;;;;0.54;;-1.09;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM418906;MM418906;CNc1nc(CC#N)co1;RCWWROWTVIVVRV-UHFFFAOYSA-N;137.14;0.78;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNd_SNa";;;;;;;0.87;;-1.88;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM418907;MM418907;C#CC(=NO)C1CC(C)C1;NCSNPHBARHVENR-UHFFFAOYSA-N;137.18;1.5;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC4_SNda";;;;;;;2.2;;0.49;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM418908;MM418908;C=CC(=CC)N(C)C=NC;HKKGJBWAEKRODP-UHFFFAOYSA-N;138.21;1.67;;;;;DOPC;MDCG;27;1;"MARTINI bead: C4_N0";;;;;;;2.5;;-1.19;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM418909;MM418909;CC1=C(C)OC(CF)=CO1;LWDGILUXEWXGMV-UHFFFAOYSA-N;144.15;2.1;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC5_SNa";;;;;;;1.64;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM418910;MM418910;C#CC(=CC#N)C1CC1O;ZTAXYHMTKGAOHZ-UHFFFAOYSA-N;133.15;0.45;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP1_C5";;;;;;;0.81;;-0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM418911;MM418911;C=CCc1coc(OC)n1;AWZUCFRXDJGUDV-UHFFFAOYSA-N;139.15;1.41;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNa_SNa";;;;;;;0.87;;-2.22;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM418912;MM418912;CCC=COC(CC)=NO;PZHORZRGQPOHKA-UHFFFAOYSA-N;143.19;2.12;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_Nda";;;;;;;1.64;;0.05;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM418913;MM418913;C#CC(=NN)C1CC(F)C1;XMJYOJNEDKBKTH-UHFFFAOYSA-N;140.16;0.68;;;;;DOPC;MDCG;27;0;"MARTINI bead: SN0_SC5";;;;;;;1.94;;0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM418914;MM418914;C=CC1=CCC(O)C(C)C1;XWNRXUMHPGNQPU-UHFFFAOYSA-N;138.21;1.89;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC1_SN0";;;;;;;3.21;;0.46;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM418915;MM418915;C=CC1=COC(C)=C(C)C1;YSCYIGGGIFMYOK-UHFFFAOYSA-N;136.19;2.77;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC4_SC4";;;;;;;3.53;;0.53;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM418916;MM418916;COc1nc(CC#N)co1;YJCWMHJKDVJCQF-UHFFFAOYSA-N;138.13;0.75;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNa_SNa";;;;;;;0.87;;-2.22;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM418917;MM418917;C#CC(=CC#N)C1CC1F;RKGPREAORNCCAM-UHFFFAOYSA-N;135.14;1.43;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNa_C5";;;;;;;1.64;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM418918;MM418918;CCC(=NO)OC=CCN;NWLLZPDDJYTKNH-UHFFFAOYSA-N;144.17;0.67;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nda_P1";;;;;;;0.04;;-5.54;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM418919;MM418919;CN(C=NO)C(C#N)=CN;MIEFBGFXERHHCZ-UHFFFAOYSA-N;140.15;-0.34;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_P1";;;;;;;-0.79;;-3.13;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM418920;MM418920;C#CC(=NO)C1CC(F)C1;HSQVKADTGGQUQR-UHFFFAOYSA-N;141.15;1.2;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNda_SC5";;;;;;;1.64;;0.05;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM418921;MM418921;C#CC=C(C#C)C1CC1C;FMSRETFIGJWTGS-UHFFFAOYSA-N;130.19;1.84;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC5_C4";;;;;;;2.97;;0.45;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM418922;MM418922;CC1=C(C)OC=C(C=O)C1;AMLNJGFEDMXQKW-UHFFFAOYSA-N;138.17;1.78;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC4_SNa";;;;;;;2.2;;0.34;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM418923;MM418923;COC=NNCC(C)C#N;NVKAYFMZSIVZTE-UHFFFAOYSA-N;141.17;0.33;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_N0";;;;;;;0.34;;-1.53;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM418924;MM418924;CCc1nc(NC=N)co1;JRFUMRWEGYOOGI-UHFFFAOYSA-N;139.16;1.26;;;;;DOPC;MDCG;27;0;"MARTINI bead: SN0_SP2";;;;;;;0.06;;-2.21;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM418925;MM418925;NC=C(C=O)N(O)C=NO;CCWNPNHCVSLQGL-UHFFFAOYSA-N;145.12;-0.91;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_P2";;;;;;;-1.34;;-4.31;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM418926;MM418926;C#CC(=CC)C1CN(C)C1;NHZNSJCFCVGWQE-UHFFFAOYSA-N;135.21;1.13;;;;;DOPC;MDCG;27;1;"MARTINI bead: SN0_SNd";;;;;;;1.17;;-2.17;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM418927;MM418927;CC1=C(C)OC=C(C#N)C1;SOMLRZVXVVZPIF-UHFFFAOYSA-N;135.17;2.11;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC4_SN0";;;;;;;2.5;;0.44;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM418928;MM418928;C#CC=C(C#C)C1CC1N;WKBURWXHFAAWET-UHFFFAOYSA-N;131.18;0.53;;;;;DOPC;MDCG;27;1;"MARTINI bead: SP1_C4";;;;;;;1.37;;-2.5;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM418929;MM418929;CCCCC(C)C1(O)CC1;BRZDPKFGEYMYNU-UHFFFAOYSA-N;142.24;2.34;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1_SNda";;;;;;;2.91;;0.57;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM418930;MM418930;C=CC(=C)CCOC=NN;DMZSQVRDKIJUDS-UHFFFAOYSA-N;140.19;1.04;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_C3";;;;;;;1.74;;0.29;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM418931;MM418931;C=NNC(=N)C#CC(=C)C;WJCNYBGYXXFRIF-UHFFFAOYSA-N;135.17;0.75;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_P2";;;;;;;0.54;;-1.09;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM418932;MM418932;CCC(O)C1CC(CF)C1;QQIGSAJEHAAVOU-UHFFFAOYSA-N;146.21;1.75;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC5_SC5";;;;;;;2.41;;0.64;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM418933;MM418933;C=CC1=COC(C)=C(C)O1;XTNRLVIQMPDSAQ-UHFFFAOYSA-N;138.17;2.31;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC5_SNa";;;;;;;1.64;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM418934;MM418934;C=CC(=C)OCOC=NN;SNPFOYATADCWJX-UHFFFAOYSA-N;142.16;0.58;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_N0";;;;;;;0.34;;-1.53;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM418935;MM418935;CCC1(C2CC(C)C2)CC1;MBYQTHITKHFCDV-UHFFFAOYSA-N;138.25;3.22;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC3_SC4";;;;;;;3.9;;0.47;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM418936;MM418936;CC=NOC(CC)=NNC;LTVRYFXLCNSAHZ-UHFFFAOYSA-N;143.19;0.95;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_Nda";;;;;;;1.64;;0.05;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM418937;MM418937;C=COc1coc(CC)n1;GNBGJGCXQFHHSN-UHFFFAOYSA-N;139.15;1.76;;;;;DOPC;MDCG;27;0;"MARTINI bead: SN0_SNa";;;;;;;1.17;;-1.18;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM418938;MM418938;CC1CC(C2(CN)CC2)C1;PYNZGHBIXPTVTB-UHFFFAOYSA-N;139.24;1.77;;;;;DOPC;MDCG;27;1;"MARTINI bead: SC4_SNd";;;;;;;2.2;;-1.92;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM418939;MM418939;CC1CC1CCCCCN;LVQFAAIPLLHQPF-UHFFFAOYSA-N;141.26;2.16;;;;;DOPC;MDCG;27;1;"MARTINI bead: SC5_Nd";;;;;;;1.64;;-2.7;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM418940;MM418940;O=c1oc(F)c(O)n1O;LEWIWVLBZGUMDN-UHFFFAOYSA-N;135.05;-0.48;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNa_SP2";;;;;;;-0.24;;-7.91;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM418941;MM418941;CC1=C(C)OC(C=O)=CO1;VNFWEECXSPUEIE-UHFFFAOYSA-N;140.14;1.32;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC5_SNa";;;;;;;1.64;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM418942;MM418942;CC=CN(C)C(C=O)=NO;UKIRYTLCOMNSDS-UHFFFAOYSA-N;142.16;0.44;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nd_P1";;;;;;;0.04;;-2.63;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM418943;MM418943;C=COc1coc(NC)n1;ZPOUWBXCMLVULC-UHFFFAOYSA-N;140.14;1.24;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNd_SNa";;;;;;;0.87;;-1.88;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM418944;MM418944;C=C1CCC(C)(O)CC1=C;HUINIILLTKXHKH-UHFFFAOYSA-N;138.21;2.03;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC5_SC3";;;;;;;3.34;;0.48;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM418945;MM418945;NCC1(C2CC(N)C2)CC1;HPZZGMUICZLYLJ-UHFFFAOYSA-N;140.23;0.46;;;;;DOPC;MDCG;27;1;"MARTINI bead: SNd_SNd";;;;;;;0.87;;-5.1;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM418946;MM418946;CNC(=NC=N)OC=NN;UWGQJAYMHPDYGH-UHFFFAOYSA-N;143.15;-0.91;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_P1";;;;;;;-1.06;;-3.82;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM418947;MM418947;CC1=C(C)OC(C#N)=CO1;ZNOWRYMPPMZIRK-UHFFFAOYSA-N;137.14;1.65;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC5_SNa";;;;;;;1.64;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM418948;MM418948;CC(C)c1noc(=NN)o1;RQRJGROPBBDLOX-UHFFFAOYSA-N;143.15;0.17;;;;;DOPC;MDCG;27;0;"MARTINI bead: C3_SP2";;;;;;;1.46;;-0.15;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM418949;MM418949;CCC1(C2CC(C)N2)CC1;SWAYQVOHAUOCRF-UHFFFAOYSA-N;139.24;1.93;;;;;DOPC;MDCG;27;1;"MARTINI bead: SC3_SNd";;;;;;;2.57;;-2.13;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM418950;MM418950;N#CCC1=NC(=NO)CN1;PEDZWQZGFROVRD-UHFFFAOYSA-N;138.13;-0.31;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP3_SP1";;;;;;;-1.93;;-4.72;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM418951;MM418951;C=CC(=NO)N(O)C=CF;OHJWCVDODPJEEC-UHFFFAOYSA-N;146.12;1.09;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_C5";;;;;;;0.54;;-1.09;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM418952;MM418952;CC1CC1CCCCCF;LXNQZUJTKLQEFR-UHFFFAOYSA-N;144.23;3.17;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC5_C4";;;;;;;2.97;;0.45;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM418953;MM418953;C#CC1=COC(C)=C(C)C1;CURAACDUPULJRC-UHFFFAOYSA-N;134.18;2.22;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC4_SN0";;;;;;;2.5;;0.44;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM418954;MM418954;CC12CC(C1=O)C(C#N)N2;SNNVGDOYUTVKBP-UHFFFAOYSA-N;136.15;-0.17;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP1_SP1";;;;;;;-0.79;;-3.13;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM418955;MM418955;CC1CC(C2(CN)CC2)O1;VRWSRPZKNAZUHH-UHFFFAOYSA-N;141.21;0.9;;;;;DOPC;MDCG;27;1;"MARTINI bead: SNa_SNd";;;;;;;0.87;;-4.31;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM418956;MM418956;C=CCc1n[nH]c(NC)n1;WAEAZNBQASWHPX-UHFFFAOYSA-N;138.17;0.57;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP1_SNda";;;;;;;0.04;;-2.73;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM418957;MM418957;CN=C(C=O)N(O)C=CF;JGQXNCUHNDKKMB-UHFFFAOYSA-N;146.12;0.35;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_C5";;;;;;;0.54;;-1.09;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM418958;MM418958;O=Cc1noc(O)c1F;SHCQPUYMQYTPNL-UHFFFAOYSA-N;131.06;0.33;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNda_SNa";;;;;;;0.87;;-6.79;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM418959;MM418959;C#CC1=COC(C)=C(C)O1;ZDUPGUPESOXNHM-UHFFFAOYSA-N;136.15;1.76;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC5_SNa";;;;;;;1.64;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM418960;MM418960;NC1CC1CCCCCF;SJZKBDYQVUDABA-UHFFFAOYSA-N;145.22;1.86;;;;;DOPC;MDCG;27;1;"MARTINI bead: SNd_C4";;;;;;;2.2;;-2.07;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM418961;MM418961;Cc1nn(C(=O)O)oc1=O;IMOLFRVVNJZIGZ-UHFFFAOYSA-N;144.09;-0.33;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP1_SP4";;;;;;;-2.01;;-9.07;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM418962;MM418962;CC1CN(C2(CO)CC2)C1;YRCBSYBLVGZFJC-UHFFFAOYSA-N;141.21;0.46;;;;;DOPC;MDCG;27;1;"MARTINI bead: SNd_SNda";;;;;;;0.87;;-3.43;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM418963;MM418963;CNc1nc(=N)onc1C;LEKSBLSDAXCDDD-UHFFFAOYSA-N;140.15;-0.1;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP2_SP2";;;;;;;-1.34;;-4.31;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM418964;MM418964;CN(C)c1noc(=NN)o1;ISRWPAVJBKUHER-UHFFFAOYSA-N;144.13;-0.89;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_SP2";;;;;;;-1.06;;-3.82;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM418965;MM418965;CCC1=CC(C)=C(C)CC1;PDTXFXQBRSWLEN-UHFFFAOYSA-N;136.24;3.45;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC1_SC2";;;;;;;4.87;;0.53;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM418966;MM418966;NCCCCCC1CC1O;DRRRGCLWNGIVPT-UHFFFAOYSA-N;143.23;0.89;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_SNda";;;;;;;0.87;;-4.72;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM418967;MM418967;CCC1(C2CC(N)C2)CN1;KCXUQWVXZIPMDI-UHFFFAOYSA-N;140.23;0.48;;;;;DOPC;MDCG;27;1;"MARTINI bead: SNd_SNd";;;;;;;0.87;;-4.94;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM418968;MM418968;C=COc1n[nH]c(NC)n1;GCJHVWHPKYZOGN-UHFFFAOYSA-N;140.15;0.37;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP1_SNda";;;;;;;0.04;;-2.73;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM418969;MM418969;C=C(C)c1noc(=NN)o1;LAHNORVAZKABFY-UHFFFAOYSA-N;141.13;0.08;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4_SP2";;;;;;;1.09;;-0.38;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM418970;MM418970;CCC=NOC(CC)=NO;QVXBRGXZHIYZJH-UHFFFAOYSA-N;144.17;1.6;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_Nda";;;;;;;0.87;;-1.99;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM418971;MM418971;CC1=C(C)CCC(CN)=C1;ZQRYBEHKWASBGX-UHFFFAOYSA-N;137.23;2;;;;;DOPC;MDCG;27;1;"MARTINI bead: SC2_SNd";;;;;;;2.83;;-0.23;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM418972;MM418972;CNCCCCC1CC1N;SGMCOEHOOLBVMT-UHFFFAOYSA-N;142.25;0.72;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_SNd";;;;;;;0.87;;-5.37;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM418973;MM418973;CCC1(C2CC(C)N2)CN1;WMXQZZGAYZLQRI-UHFFFAOYSA-N;140.23;0.49;;;;;DOPC;MDCG;27;1;"MARTINI bead: SNd_SNd";;;;;;;0.87;;-4.76;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM418974;MM418974;C=CCc1noc(CC)n1;JOOHEYXOLSLGLG-UHFFFAOYSA-N;138.17;1.36;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNa_SNa";;;;;;;0.87;;-2.22;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM418975;MM418975;COCCCCC1CC1C;BJPLDLSONXLCPO-UHFFFAOYSA-N;142.24;2.46;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_SC5";;;;;;;1.64;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM418976;MM418976;C#CCC(C#C)OC=NN;QJXFRQYLRNRZJD-UHFFFAOYSA-N;136.15;-0.07;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda_N0";;;;;;;1.17;;-1.13;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM418977;MM418977;CCCc1noc(=NN)o1;JWSAEMOEROJPTG-UHFFFAOYSA-N;143.15;-0.01;;;;;DOPC;MDCG;27;0;"MARTINI bead: C3_SP2";;;;;;;1.46;;-0.15;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM418978;MM418978;C=CN(C=O)C(=N)CC=O;LQKGWFBGNVWRKJ-UHFFFAOYSA-N;140.14;0.15;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_Na";;;;;;;-0.24;;-3.24;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM418979;MM418979;CCc1nc(CC#N)no1;DUPALROSPSKKSJ-UHFFFAOYSA-N;137.14;0.7;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNa_SNa";;;;;;;0.87;;-2.22;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM418980;MM418980;CCC1(C2CN(C)C2)CN1;TYNPAVQANKYMOT-UHFFFAOYSA-N;140.23;0.3;;;;;DOPC;MDCG;27;1;"MARTINI bead: SNd_SNd";;;;;;;0.87;;-3.43;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM418981;MM418981;CC1=C(C)CCC(CF)=C1;RBTCWGFYSAPICP-UHFFFAOYSA-N;140.2;3.01;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC2_SC4";;;;;;;4.16;;0.44;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM418982;MM418982;CCOCCCC1CC1C;JPTNGQJFEGIIKY-UHFFFAOYSA-N;142.24;2.46;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_SC5";;;;;;;2.41;;0.64;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM418983;MM418983;CN=C(C#N)N(O)C=NO;YRPSMZMNLKWSCV-UHFFFAOYSA-N;142.12;-0.35;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_P1";;;;;;;-0.79;;-3.13;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM418984;MM418984;N#CCC(O)CCC(=O)O;VRPTYWMEDCJRFG-UHFFFAOYSA-N;143.14;0.13;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_P1";;;;;;;-0.79;;-7.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM418985;MM418985;CCC1(C2CC(C)N2)CO1;UMNFHNPAYFTROZ-UHFFFAOYSA-N;141.21;0.92;;;;;DOPC;MDCG;27;1;"MARTINI bead: SNa_SNd";;;;;;;0.87;;-4.63;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM418986;MM418986;C=CCc1noc(CO)n1;GYEFKWRVZZJFAE-UHFFFAOYSA-N;140.14;0.29;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP1_SNa";;;;;;;0.04;;-2.54;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM418987;MM418987;CCC1=CC(C)=C(F)CC1;PGWDUAVEZWXTOY-UHFFFAOYSA-N;140.2;3.36;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC1_SC4";;;;;;;4.24;;0.42;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM418988;MM418988;C#CC(=CC)C(C)C=CC;CESHEEMPCGPIKZ-UHFFFAOYSA-N;134.22;2.78;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1_C4";;;;;;;4.24;;0.42;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM418989;MM418989;CC1CC1CCNCCN;SFPADKCEHBFBLL-UHFFFAOYSA-N;142.25;0.58;;;;;DOPC;MDCG;27;1;"MARTINI bead: SC5_P3";;;;;;;-0.33;;-4.76;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM418990;MM418990;CC(=NO)C(=O)C(=O)O;NXLPQSMTIQGAPB-UHFFFAOYSA-N;131.09;-0.51;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_P1";;;;;;;-0.79;;-7.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM418991;MM418991;N#CCc1noc(CO)n1;FXHODTIYWUTRMT-UHFFFAOYSA-N;139.11;-0.37;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP1_SNa";;;;;;;0.04;;-2.54;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM418992;MM418992;CC(C)C(N)CCC1CC1;GXDFSYMWJJPFMD-UHFFFAOYSA-N;141.26;2.16;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_SC5";;;;;;;1.64;;-2.99;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM418993;MM418993;CC1=C(F)CCC(CN)=C1;FBXVJUZWYZKHLR-UHFFFAOYSA-N;141.19;1.91;;;;;DOPC;MDCG;27;1;"MARTINI bead: SC4_SNd";;;;;;;2.2;;-1.66;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM418994;MM418994;C#CC(=CC)C(N)C=CC;KKFBUEKKQXEBLU-UHFFFAOYSA-N;135.21;1.47;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_C4";;;;;;;2.2;;-0.91;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM418995;MM418995;CC1CC1CCNCCO;QLMCBRUEQMTXDC-UHFFFAOYSA-N;143.23;0.61;;;;;DOPC;MDCG;27;1;"MARTINI bead: SC5_P2";;;;;;;0.54;;-3.67;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM418996;MM418996;CONC(=N)C1(C#N)CN1;UTAGWPQOUUNXDA-UHFFFAOYSA-N;140.15;-1.02;;;;;DOPC;MDCG;27;0;"MARTINI bead: P3_SP2";;;;;;;-2.2;;-5.19;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM418997;MM418997;C=CCc1noc(CF)n1;IATXNDANUBQUKK-UHFFFAOYSA-N;142.13;1.27;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNa_SNa";;;;;;;0.87;;-2.22;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM418998;MM418998;CNN=CN(C=O)CCF;ZKESGQUPBAFEFA-UHFFFAOYSA-N;147.15;-0.42;;;;;DOPC;MDCG;27;0;"MARTINI bead: P3_C5";;;;;;;-0.33;;-2.01;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM418999;MM418999;CC(C)C(O)CNC1CC1;VWHYXOPLENSCFS-UHFFFAOYSA-N;143.23;0.76;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nda_SP1";;;;;;;0.04;;-5;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM419000;MM419000;C#CC(=NO)C(C)C=CC;CKNKOPGIOJEDOR-UHFFFAOYSA-N;137.18;1.66;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1_P1";;;;;;;2.08;;0.48;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM419001;MM419001;C=CC1(CC)C(=O)CN1C;TWLQKEHVFIVHFK-UHFFFAOYSA-N;139.2;0.84;;;;;DOPC;MDCG;27;0;"MARTINI bead: SN0_SP2";;;;;;;0.06;;-2.21;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM419002;MM419002;NC1CC1CCNCCO;BCGUWRHVFPDNEA-UHFFFAOYSA-N;144.22;-0.69;;;;;DOPC;MDCG;27;1;"MARTINI bead: SNd_P2";;;;;;;-0.24;;-6.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM419003;MM419003;N#CCc1noc(CF)n1;AKCHXJQXMGITTJ-UHFFFAOYSA-N;141.11;0.61;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNa_SNa";;;;;;;0.87;;-2.22;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM419004;MM419004;CC1=C(F)CCC(CF)=C1;KISJRBNXCNZYIH-UHFFFAOYSA-N;144.16;2.92;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC4_SC4";;;;;;;3.53;;0.53;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM419005;MM419005;CC(C)C(N)COC1CC1;LNFMKLICRMBYGH-UHFFFAOYSA-N;143.23;1.15;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_SP1";;;;;;;0.04;;-5.01;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM419006;MM419006;CNc1cnn(N)c(=O)n1;HNDLNXDQOGZPCU-UHFFFAOYSA-N;141.13;-1.61;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP1_SP3";;;;;;;-1.93;;-4.72;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM419007;MM419007;C=CCc1noc(=NN)o1;ZRYKMWBCXFACFQ-UHFFFAOYSA-N;141.13;-0.23;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP2_C4";;;;;;;1.09;;-0.38;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM419008;MM419008;OCCNCCC1CC1O;CZDYLVIOCMFLBR-UHFFFAOYSA-N;145.2;-0.66;;;;;DOPC;MDCG;27;1;"MARTINI bead: P2_SNda";;;;;;;-0.24;;-5.61;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM419009;MM419009;C=CCc1noc(NC)n1;HXPXNNFEQUJFFP-UHFFFAOYSA-N;139.16;0.84;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNda_SNa";;;;;;;0.87;;-1.99;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM419010;MM419010;CC(C)C(O)COC1CC1;ZFPSNGGNFVSYET-UHFFFAOYSA-N;144.21;1.18;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda_SP1";;;;;;;0.04;;-2.73;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM419011;MM419011;CCC1=CC(F)=C(C)CC1;IWNAOADUSNTJGD-UHFFFAOYSA-N;140.2;3.36;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC1_SC4";;;;;;;4.24;;0.42;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM419012;MM419012;CC1CC1CCOCCN;TZOHEIOWLPHTEX-UHFFFAOYSA-N;143.23;1.01;;;;;DOPC;MDCG;27;1;"MARTINI bead: SC5_P2";;;;;;;0.54;;-3.12;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM419013;MM419013;CNC1=NC(=N)C(=O)C=N1;ZKEQTYMKDWCZPP-UHFFFAOYSA-N;138.13;-0.81;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNd_SP1";;;;;;;0.04;;-2.63;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM419014;MM419014;CC=Cc1noc(=NN)o1;LPCYCAACXVEVBQ-UHFFFAOYSA-N;141.13;0.08;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4_SP2";;;;;;;1.09;;-0.38;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM419015;MM419015;CNc1nc(CC#N)no1;GJROLEOMWFCCTN-UHFFFAOYSA-N;138.13;0.18;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNda_SNa";;;;;;;0.87;;-1.99;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM419016;MM419016;CC1=C(F)C=C(CN)CC1;PVWPESUEERVPMH-UHFFFAOYSA-N;141.19;1.91;;;;;DOPC;MDCG;27;1;"MARTINI bead: SC4_SNd";;;;;;;2.2;;-1.66;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM419017;MM419017;CC(C)C(N)CCC1CN1;ZFTHAMRCMDDDRP-UHFFFAOYSA-N;142.25;0.72;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_SP1";;;;;;;0.04;;-5.72;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM419018;MM419018;CCC1NN=C(OC)C1C;LWGHGCPMPPGECA-UHFFFAOYSA-N;142.2;0.96;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNd_SNa";;;;;;;0.87;;-1.88;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM419019;MM419019;CC1CC1CCOCCF;MXJWKOVXALZJPX-UHFFFAOYSA-N;146.21;2.02;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC5_Na";;;;;;;1.64;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM419020;MM419020;NN=c1onc(C=CF)o1;FLQYHLDBOBLSFB-UHFFFAOYSA-N;145.09;-0.02;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_SP2";;;;;;;0.54;;-1.09;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM419021;MM419021;C=CCc1noc(OC)n1;JDPJPZWUEVDTJY-UHFFFAOYSA-N;140.14;0.81;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNa_SNa";;;;;;;0.87;;-2.22;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM419022;MM419022;CC1=C(F)C=C(CO)CC1;PQAHOHVPFFMMPS-UHFFFAOYSA-N;142.17;1.94;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC4_SC5";;;;;;;2.97;;0.45;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM419023;MM419023;CC(O)C(N)CCC1CN1;DQNRBYFFTBZZNK-UHFFFAOYSA-N;144.22;-0.55;;;;;DOPC;MDCG;27;1;"MARTINI bead: P2_SP1";;;;;;;-1.06;;-6.29;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM419024;MM419024;COC(=NO)ON=CCN;VNNKKRMWAWVULD-UHFFFAOYSA-N;147.13;-0.66;;;;;DOPC;MDCG;27;1;"MARTINI bead: P2_P1";;;;;;;-1.06;;-5.53;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM419025;MM419025;CC1CC1CNCCCN;DHILSJYDWONZIS-UHFFFAOYSA-N;142.25;0.58;;;;;DOPC;MDCG;27;1;"MARTINI bead: SC5_P3";;;;;;;-0.33;;-5.03;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM419026;MM419026;C=CCC1CC1C(O)CC;XJBYCUKUZZDORE-UHFFFAOYSA-N;140.23;1.97;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda_SC4";;;;;;;2.2;;0.49;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM419027;MM419027;CC1=C(F)C=C(CF)CC1;JZJFVSGAUWJQHB-UHFFFAOYSA-N;144.16;2.92;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC4_SC4";;;;;;;3.53;;0.53;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM419028;MM419028;COc1nc(CC#N)no1;MEXIHJLFVOVMQC-UHFFFAOYSA-N;139.11;0.14;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNa_SNa";;;;;;;0.87;;-2.22;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM419029;MM419029;CC(N)C(O)CCC1CN1;QJEAHMHHFWDXFQ-UHFFFAOYSA-N;144.22;-0.55;;;;;DOPC;MDCG;27;1;"MARTINI bead: P2_SP1";;;;;;;-1.06;;-6.24;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM419030;MM419030;C#CC(=NC)N(C)C=CC;VENTXXZJBHTPEO-UHFFFAOYSA-N;136.2;1.11;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_N0";;;;;;;1.17;;-3;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM419031;MM419031;C=CC=CCC(=CC)CC;UBYRLUCKACDHTA-UHFFFAOYSA-N;136.24;3.48;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1_C4";;;;;;;4.24;;0.42;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM419032;MM419032;CC1CC1CNCCCO;SNLAOYOFBPCPCT-UHFFFAOYSA-N;143.23;0.61;;;;;DOPC;MDCG;27;1;"MARTINI bead: SC5_P2";;;;;;;0.54;;-3.93;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM419033;MM419033;C#CC(=C)CCOC=NN;RGIYADXLYXWUOO-UHFFFAOYSA-N;138.17;0.48;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_C5";;;;;;;0.81;;-0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM419034;MM419034;COC1=CC(C)=C(C)CC1;RCQCPYDLXDUKQA-UHFFFAOYSA-N;138.21;2.65;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC5_SC2";;;;;;;3.6;;0.34;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM419035;MM419035;CC(C)C(C)CCC1CO1;WWEXJLMWRXUTBW-UHFFFAOYSA-N;142.24;2.46;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1_SNa";;;;;;;2.91;;0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM419036;MM419036;C#CC(=NO)N(C)C=CF;HUZXDLTVJSADKQ-UHFFFAOYSA-N;142.13;0.78;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_P1";;;;;;;0.81;;-0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM419037;MM419037;CC1CC1CNCCCF;VDZISCZPLMZKEH-UHFFFAOYSA-N;145.22;1.59;;;;;DOPC;MDCG;27;1;"MARTINI bead: SC5_P1";;;;;;;0.81;;-3.49;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM419038;MM419038;CC=C(CC)CC=CC=O;KRBPWZCYRHYQKA-UHFFFAOYSA-N;138.21;2.49;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1_Na";;;;;;;2.91;;0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM419039;MM419039;CC(F)C(C)CCC1CO1;VLUOZOMACDLIDF-UHFFFAOYSA-N;146.21;2.16;;;;;DOPC;MDCG;27;0;"MARTINI bead: C3_SNa";;;;;;;2.57;;0.45;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM419040;MM419040;CNc1nc(NC=N)no1;SHPOYICTKDCZBY-UHFFFAOYSA-N;141.13;0.13;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNda_SP2";;;;;;;-0.24;;-3.31;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM419041;MM419041;COC1=CC(C)=C(F)CC1;MIZIMSKWXVWFRS-UHFFFAOYSA-N;142.17;2.55;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC5_SC4";;;;;;;2.97;;0.45;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM419042;MM419042;C=CC1NC1C(=O)CCC;UJPAIZVVBZINPJ-UHFFFAOYSA-N;139.2;0.88;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_SP1";;;;;;;0.81;;-0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM419043;MM419043;CC1CC1COCCCN;OMCQYRKGWIPBGH-UHFFFAOYSA-N;143.23;1.01;;;;;DOPC;MDCG;27;1;"MARTINI bead: SC5_P2";;;;;;;0.54;;-3.8;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM419044;MM419044;CC=C(CC)CC=CC#N;WKJDEDPGBNFITK-UHFFFAOYSA-N;135.21;2.81;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1_N0";;;;;;;3.21;;0.46;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM419045;MM419045;CC(C)C(N)CCC1CO1;FQPICHLGZGQSRP-UHFFFAOYSA-N;143.23;1.15;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_SNa";;;;;;;0.87;;-4.98;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM419046;MM419046;COC1=CC(F)=C(C)CC1;VMFIIDXBXZQZSY-UHFFFAOYSA-N;142.17;2.55;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC5_SC4";;;;;;;2.97;;0.45;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM419047;MM419047;CC=C(C)CCOC=NN;NZRHMXTUUKAVPT-UHFFFAOYSA-N;142.2;1.26;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1_P1";;;;;;;2.08;;0.48;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM419048;MM419048;CC=NN=CCNCC=O;SYWUPQQZKFVWFT-UHFFFAOYSA-N;141.17;-0.15;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_P2";;;;;;;0.54;;-1.09;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM419049;MM419049;CC1CC1COCCCO;ZLOFRWCBUTZXSX-UHFFFAOYSA-N;144.21;1.04;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC5_P3";;;;;;;-0.33;;-2.01;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM419050;MM419050;C=CC=CCC(=CF)CC;KMSYSYFTJPHHCQ-UHFFFAOYSA-N;140.2;3.38;;;;;DOPC;MDCG;27;0;"MARTINI bead: C2_C4";;;;;;;4.16;;0.44;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM419051;MM419051;C=COc1noc(CC)n1;UJRSFYRJULUCSF-UHFFFAOYSA-N;140.14;1.15;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNa_SNa";;;;;;;0.87;;-2.22;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM419052;MM419052;CC(F)C(N)CCC1CO1;FEBLDNUREVBMRB-UHFFFAOYSA-N;147.19;0.85;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nda_SNa";;;;;;;0.87;;-3.81;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM419053;MM419053;C=CC1=CC(C)=C(C)CC1;MCPDMPBSJDAILP-UHFFFAOYSA-N;134.22;3.23;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC2_SC4";;;;;;;4.16;;0.44;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM419054;MM419054;CNCCCNC1CC1C;UHWYEUGFINNDDT-UHFFFAOYSA-N;142.25;0.59;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_SNd";;;;;;;0.87;;-5.11;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM419055;MM419055;C=CCOC=NNCCC;ICKXAUHBXCAAID-UHFFFAOYSA-N;142.2;1.13;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nd_Na";;;;;;;0.87;;-1.88;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM419056;MM419056;CCC(=CF)CC=CC=O;SGJOWVNODGTBMI-UHFFFAOYSA-N;142.17;2.4;;;;;DOPC;MDCG;27;0;"MARTINI bead: C2_Na";;;;;;;2.83;;0.35;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM419057;MM419057;CC(O)C(O)CCC1CO1;CWGPVOJUKKZFLI-UHFFFAOYSA-N;146.19;-0.09;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_SNa";;;;;;;-0.24;;-3.24;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM419058;MM419058;C=COc1noc(NC)n1;SAQQSFOEUZMWOK-UHFFFAOYSA-N;141.13;0.63;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNda_SNa";;;;;;;0.87;;-1.99;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM419059;MM419059;CC1=C(C)CCC(C=O)=C1;YMOVRNSUXBHPHU-UHFFFAOYSA-N;136.19;2.24;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC2_SNa";;;;;;;2.83;;0.35;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM419060;MM419060;CC1C(C#N)C1NCC=O;OXWWJMQUBSCDFF-UHFFFAOYSA-N;138.17;-0.07;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_SN0";;;;;;;0.06;;-2.21;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM419061;MM419061;CCOCCNC1CC1C;TWMSVOFQQMPBME-UHFFFAOYSA-N;143.23;1.02;;;;;DOPC;MDCG;27;1;"MARTINI bead: C5_SNd";;;;;;;1.64;;-2.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM419063;MM419063;CCC(=CF)CC=CC#N;IAPOIFBRNMJAJU-UHFFFAOYSA-N;139.17;2.72;;;;;DOPC;MDCG;27;0;"MARTINI bead: C2_N0";;;;;;;3.13;;0.3;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM419062;MM419062;CC(C)C(F)CCC1CO1;VXKFMZBMVNCNFU-UHFFFAOYSA-N;146.21;2.16;;;;;DOPC;MDCG;27;0;"MARTINI bead: C3_SNa";;;;;;;2.57;;0.45;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM419064;MM419064;C#CCC1=CCC(CC)=C1;POLBMZINOWHUBB-UHFFFAOYSA-N;132.21;2.68;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC3_SC4";;;;;;;3.9;;0.47;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM419065;MM419065;CC1=C(C)CCC(C#N)=C1;PGYSFPWZXXXADX-UHFFFAOYSA-N;133.19;2.57;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC2_SC5";;;;;;;3.6;;0.34;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM419066;MM419066;C#CC(=NO)N(O)C=CF;HYZURXKUBSJSBQ-UHFFFAOYSA-N;144.11;0.54;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_C5";;;;;;;0.81;;-0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM419067;MM419067;CCOCCOC1CC1C;BSIDSHBAZWIRBB-UHFFFAOYSA-N;144.21;1.45;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_SNa";;;;;;;1.64;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM419068;MM419068;CCCc1nc(N)n(N)n1;NWNSSJPKUKHOBZ-UHFFFAOYSA-N;141.18;-0.47;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNa_SP2";;;;;;;-0.24;;-3.24;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM419069;MM419069;C=CC=CCC(=CF)CN;VHMBKPGOKDOYOE-UHFFFAOYSA-N;141.19;1.93;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1_C1";;;;;;;2.08;;-0.56;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM419071;MM419071;C=CC1=CC(C)=C(F)CC1;JUTPSZOBRLUFRB-UHFFFAOYSA-N;138.19;3.14;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC4_SC4";;;;;;;3.53;;0.53;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM419070;MM419070;C#CCC1=CCC(CN)=C1;HOUZRAPPYPIFSA-UHFFFAOYSA-N;133.19;1.22;;;;;DOPC;MDCG;27;1;"MARTINI bead: SNd_SC4";;;;;;;2.2;;-1.65;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM419072;MM419072;C=CC12C=CC(C=O)N1C2;ZBIKNQLDQNVYIP-UHFFFAOYSA-N;135.17;0.36;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP1_SP2";;;;;;;-1.06;;-3.82;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM419073;MM419073;CC1NC1CNCCCN;YTABHWHFOISPLI-UHFFFAOYSA-N;143.23;-0.71;;;;;DOPC;MDCG;27;1;"MARTINI bead: SP1_P3";;;;;;;-1.93;;-7.24;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM419074;MM419074;C=CCNN=COCCC;MWLGMFJNVKXYOR-UHFFFAOYSA-N;142.2;1.13;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_Nd";;;;;;;0.87;;-1.88;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM419075;MM419075;CC(N)C(O)CCN1CC1;NVHOWPIGRYHZFD-UHFFFAOYSA-N;144.22;-0.6;;;;;DOPC;MDCG;27;1;"MARTINI bead: P2_SP1";;;;;;;-1.06;;-6.23;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM419076;MM419076;C#CCC1=CCC(CO)=C1;WLTGBAQTUUMTSV-UHFFFAOYSA-N;134.18;1.26;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNda_SC4";;;;;;;2.2;;0.49;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM419077;MM419077;CC1=C(F)CCC(C=O)=C1;OQYLURWHBUGOPJ-UHFFFAOYSA-N;140.16;2.15;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC4_SNa";;;;;;;2.2;;0.34;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM419078;MM419078;NN=c1onc(C2CC2)o1;QTBNKDAHUGJBTN-UHFFFAOYSA-N;141.13;-0.08;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP2_SC5";;;;;;;0.54;;-1.09;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM419079;MM419079;CNCCNCC1NC1C;VCJHCCCKHHQRPQ-UHFFFAOYSA-N;143.23;-0.84;;;;;DOPC;MDCG;27;1;"MARTINI bead: P3_SP1";;;;;;;-1.93;;-6.89;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM419080;MM419080;C=CC=CCC(=CF)CO;GXZVHQPSZJHMCH-UHFFFAOYSA-N;142.17;1.96;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda_C1";;;;;;;2.91;;0.57;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM419081;MM419081;CC1=C(F)CCC(C#N)=C1;QRPJEKVTYKKOAP-UHFFFAOYSA-N;137.16;2.47;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC4_SC5";;;;;;;2.97;;0.45;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM419082;MM419082;C#CCC1=CCC(CF)=C1;IOTGZWBJMQOOHD-UHFFFAOYSA-N;136.17;2.24;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC5_SC4";;;;;;;2.97;;0.45;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM419083;MM419083;CC#CCC(O)(CC)CC;WFMIAKNOWNLZCL-UHFFFAOYSA-N;140.23;1.95;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_C4";;;;;;;2.97;;0.45;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM419084;MM419084;CCCNCCC1OC1C;NYYDYQXYWPKXGR-UHFFFAOYSA-N;143.23;1.16;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_SNa";;;;;;;0.87;;-5;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM419085;MM419085;NN=c1onc(C2CN2)o1;WEIXITXDGHMVBA-UHFFFAOYSA-N;142.12;-1.31;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP2_SP2";;;;;;;-1.34;;-4.31;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM419086;MM419086;O=CC=CCC(=CF)CO;OMBFDFGBQLMNGZ-UHFFFAOYSA-N;144.15;0.98;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda_Na";;;;;;;0.87;;-1.99;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM419087;MM419087;C=CC1=CC(F)=C(C)CC1;VDYYFNFEKDHJDG-UHFFFAOYSA-N;138.19;3.14;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC4_SC4";;;;;;;3.53;;0.53;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM419088;MM419088;C#CCC1=CCC(OC)=C1;IQKKFDPTYFDGPN-UHFFFAOYSA-N;134.18;1.87;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC5_SC4";;;;;;;2.97;;0.45;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM419089;MM419089;CC(=O)N(C)CCC1CC1;NQGBPYZQYGTRHF-UHFFFAOYSA-N;141.21;1.26;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_SC5";;;;;;;0.54;;-1.09;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM419090;MM419090;CC1OC1CCOCCO;OGQNTROBPQLJPK-UHFFFAOYSA-N;146.19;0.17;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNa_P2";;;;;;;-0.24;;-3.24;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM419091;MM419091;C#CC(=NO)N(O)C=NN;GILAYODOUXROSZ-UHFFFAOYSA-N;142.12;-1;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_P1";;;;;;;-0.79;;-3.13;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM419092;MM419092;N#CC=CCC(=CF)CO;DSHIUCDDNAMWMI-UHFFFAOYSA-N;141.15;1.3;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda_N0";;;;;;;1.17;;-1.13;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM419093;MM419093;CC1=C(F)C=C(C=O)CC1;SRJNXVBXEJDJMB-UHFFFAOYSA-N;140.16;2.15;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC4_SNa";;;;;;;2.2;;0.34;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM419094;MM419094;C#CCc1c[nH]c(CC)c1;RVAGGMPNBNGROF-UHFFFAOYSA-N;133.19;1.75;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC5_SN0";;;;;;;1.94;;0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM419095;MM419095;CC(=N)N(O)CCC1CC1;DGXCNZYEGQFOEX-UHFFFAOYSA-N;142.2;1.47;;;;;DOPC;MDCG;27;1;"MARTINI bead: P2_SC5";;;;;;;0.54;;-3.07;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM419096;MM419096;CC1OC1CNCCCN;CSRILWSLKYLUAC-UHFFFAOYSA-N;144.22;-0.29;;;;;DOPC;MDCG;27;1;"MARTINI bead: SNa_P3";;;;;;;-1.1;;-6.75;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM419097;MM419097;C#CC(=NO)N(O)C=NO;SRLMSKFXKUTXPI-UHFFFAOYSA-N;143.1;-0.48;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_P1";;;;;;;-0.79;;-3.13;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM419098;MM419098;C=CC=CCC(=CC)CF;XRWNVMCMHMDDKK-UHFFFAOYSA-N;140.2;3.03;;;;;DOPC;MDCG;27;0;"MARTINI bead: C3_C4";;;;;;;3.9;;0.47;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM419099;MM419099;CC1=C(F)C=C(C#N)CC1;DIXJYYLLXVYZAF-UHFFFAOYSA-N;137.16;2.47;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC4_SC5";;;;;;;2.97;;0.45;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM419100;MM419100;C#CCc1c[nH]c(CN)c1;IHJVOLBONPLJTR-UHFFFAOYSA-N;134.18;0.65;;;;;DOPC;MDCG;27;1;"MARTINI bead: SP1_SN0";;;;;;;0.34;;-2.94;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM419101;MM419101;CC(=N)N(C)CCC1CN1;IMEUMDVKCHZVEA-UHFFFAOYSA-N;141.22;0.28;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_SP1";;;;;;;0.04;;-7.74;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM419102;MM419102;C=C(C=CF)C(=CF)CC;LGRSDFYMEIXOPW-UHFFFAOYSA-N;144.16;3.29;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1_C5";;;;;;;3.68;;0.46;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM419103;MM419103;CCCNCCC1CN1C;NCHHBCUGQXOUPX-UHFFFAOYSA-N;142.25;0.69;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_SNd";;;;;;;0.87;;-5.08;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM419104;MM419104;CC=C(CF)CC=CC=O;TZVWRJSVEVEKRS-UHFFFAOYSA-N;142.17;2.05;;;;;DOPC;MDCG;27;0;"MARTINI bead: C3_Na";;;;;;;2.57;;0.45;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM419105;MM419105;C#CC1=CC(C)=C(C)CC1;XIJVNUPRKNRXHR-UHFFFAOYSA-N;132.21;2.68;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC2_SC4";;;;;;;4.16;;0.44;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM419106;MM419106;C#CCc1c[nH]c(CO)c1;ATNXNFYGKGWARI-UHFFFAOYSA-N;135.17;0.68;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNda_SN0";;;;;;;1.17;;-1.13;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM419107;MM419107;CN(CCC1CN1)C(=N)N;JYSMDGMEFKYZNX-UHFFFAOYSA-N;142.21;-0.83;;;;;DOPC;MDCG;27;1;"MARTINI bead: P3_SP1";;;;;;;-1.93;;-8.84;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM419108;MM419108;CN1CC1CCNCCN;WNWUXNKMHOTHGY-UHFFFAOYSA-N;143.23;-0.76;;;;;DOPC;MDCG;27;1;"MARTINI bead: SNd_P3";;;;;;;-1.1;;-6.19;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM419109;MM419109;C=C(C=CF)C(=CF)CN;KHGJKGCEPDIUIW-UHFFFAOYSA-N;145.15;1.84;;;;;DOPC;MDCG;27;1;"MARTINI bead: Na_Nda";;;;;;;0.87;;-4.1;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM419110;MM419110;C=NN=CCC(=CC)CC;LCLBFENWPHTNBH-UHFFFAOYSA-N;138.21;2.42;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1_C5";;;;;;;3.68;;0.46;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM419111;MM419111;C#CC1=CC(C)=C(F)CC1;FCIVQTBXXFCLQN-UHFFFAOYSA-N;136.17;2.58;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC4_SC4";;;;;;;3.53;;0.53;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM419112;MM419112;C#CCc1c[nH]c(CF)c1;SCLMXHUUSOILKQ-UHFFFAOYSA-N;137.16;1.66;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNda_SN0";;;;;;;1.17;;-1.13;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM419113;MM419113;CC(=N)N(C)CCC1CO1;RWTFQZDEKGOAGT-UHFFFAOYSA-N;142.2;0.7;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_SNa";;;;;;;0.87;;-7.1;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM419114;MM419114;CCCCOCC1CN1C;RYGTZUHOXWSTNN-UHFFFAOYSA-N;143.23;1.12;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_SNd";;;;;;;0.87;;-1.88;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM419115;MM419115;C=C(C=CF)C(=CF)CF;GVEBZXHHSKHBSK-UHFFFAOYSA-N;148.13;2.85;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_C4";;;;;;;2.97;;0.45;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM419116;MM419116;C=NN=CCC(=CC)CN;XGOGDXPIPSVJOW-UHFFFAOYSA-N;139.2;0.97;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_N0";;;;;;;1.17;;-3.28;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM419117;MM419117;C#CC1=CC(F)=C(C)CC1;COHQHJJQGSRPMF-UHFFFAOYSA-N;136.17;2.58;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC4_SC4";;;;;;;3.53;;0.53;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM419118;MM419118;CC=C(C)OCOC=NN;RZCSVERNKCHKJM-UHFFFAOYSA-N;144.17;0.8;;;;;DOPC;MDCG;27;0;"MARTINI bead: C2_P3";;;;;;;0.86;;-0.3;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM419119;MM419119;C=CC1(C)CC1C(O)CC;DYJKQLMXJNFBKD-UHFFFAOYSA-N;140.23;1.97;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda_SC4";;;;;;;2.2;;0.49;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM419120;MM419120;CCC(=CN)C(=O)C=CN;FGZWJOSUXYVPBN-UHFFFAOYSA-N;140.19;0.28;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda_P1";;;;;;;0.04;;-2.73;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM419121;MM419121;CC1CN1CCNCCO;WTGAESSJDBRJFS-UHFFFAOYSA-N;144.22;-0.73;;;;;DOPC;MDCG;27;1;"MARTINI bead: SNd_P2";;;;;;;-0.24;;-5.17;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM419122;MM419122;C=NN=CCC(=CF)CN;CUYJBAQMDMIHSJ-UHFFFAOYSA-N;143.17;0.88;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1_C5";;;;;;;0.81;;-2.64;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM419123;MM419123;C#CCc1c[nH]c(OC)c1;ZWTAFUKZVPXIAI-UHFFFAOYSA-N;135.17;1.2;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNda_SN0";;;;;;;1.17;;-1.13;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM419124;MM419124;CCCC1CNC2(C)CC12;YGDNLMRVEJVSNV-UHFFFAOYSA-N;139.24;1.78;;;;;DOPC;MDCG;27;1;"MARTINI bead: SC5_SNd";;;;;;;1.64;;-3.63;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM419125;MM419125;CC(=N)N(C)CCN1CC1;JOYLGXMPJJRRCK-UHFFFAOYSA-N;141.22;0.23;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_SP1";;;;;;;0.04;;-7.54;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM419126;MM419126;CC=C(CO)C(=O)C=CN;SQWFEJHRYGYJRN-UHFFFAOYSA-N;141.17;-0.03;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda_P2";;;;;;;-0.24;;-3.31;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM419127;MM419127;C=CCCCCC1CC1C;CQNDJTANUFTSNH-UHFFFAOYSA-N;138.25;3.39;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC5_C1";;;;;;;3.68;;0.46;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM419128;MM419128;C=NN=CCC(=CC)CO;ZFVSIEKVJJSDQI-UHFFFAOYSA-N;140.19;1;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_N0";;;;;;;1.94;;0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM419129;MM419129;C=CCC1CCC2(C)CC12;PEWIQLQMMWZDIE-UHFFFAOYSA-N;136.24;3;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC4_SC1";;;;;;;4.24;;0.42;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM419130;MM419130;C#CCc1coc(CC)c1;RZCLKRMQRJIQIZ-UHFFFAOYSA-N;134.18;2.02;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC4_SC5";;;;;;;2.97;;0.45;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM419131;MM419131;C=C(C=NO)C(=CC)CN;BHJCKWDCTJISJZ-UHFFFAOYSA-N;140.19;0.91;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_Nda";;;;;;;0.87;;-4.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM419132;MM419132;CC1CC1CCCCC=O;RIGDLMQWMALTLF-UHFFFAOYSA-N;140.23;2.4;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC5_C5";;;;;;;2.41;;0.64;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM419133;MM419133;CC(=O)N(C)CCN1CC1;OMWUZUWFUGTHMG-UHFFFAOYSA-N;142.2;-0.22;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_SP1";;;;;;;-1.06;;-3.82;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM419134;MM419134;C=NN=CCC(=CC)CF;NDIMIDOAHMRBKI-UHFFFAOYSA-N;142.18;1.98;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4_C5";;;;;;;2.97;;0.45;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM419135;MM419135;C=NNC1CCC2(C)CC12;SPPGWRGPLZLMJO-UHFFFAOYSA-N;138.21;1.38;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC4_SNd";;;;;;;2.2;;0.32;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM419136;MM419136;C#CCc1coc(CO)c1;FCPIRLJLADCJMC-UHFFFAOYSA-N;136.15;0.95;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNda_SC5";;;;;;;1.64;;0.05;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM419137;MM419137;CC1CC1CCCCC#N;LIFNJAVHNFLIHO-UHFFFAOYSA-N;137.23;2.73;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC5_N0";;;;;;;1.94;;0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM419138;MM419138;CC(O)C1(C)CC1C;BZMXQDRUSARPKJ-UHFFFAOYSA-N;114.19;1.41;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_SC5";;;;;;;0.81;;-0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM419139;MM419139;CN(CCN1CC1)C(=N)N;OXJUMZODQLJORC-UHFFFAOYSA-N;142.21;-0.87;;;;;DOPC;MDCG;27;1;"MARTINI bead: P3_SP1";;;;;;;-1.93;;-8.82;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM419140;MM419140;C=CC=CCC(CC)=NN;ZJWSVLGNECZLGW-UHFFFAOYSA-N;138.21;1.84;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nd_C1";;;;;;;2.91;;0.63;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM419141;MM419141;C#CCc1coc(CF)c1;NOKINYKKWPVMCD-UHFFFAOYSA-N;138.14;1.92;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC5_SC5";;;;;;;2.41;;0.64;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM419142;MM419142;CC12CC1C(CC#N)CN2;BVLIJEUEISCGDN-UHFFFAOYSA-N;136.2;0.9;;;;;DOPC;MDCG;27;1;"MARTINI bead: SNd_SP1";;;;;;;0.04;;-5.41;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM419143;MM419143;C=C(C=CF)C(CC)=NO;SUVCMHOIRPMXCC-UHFFFAOYSA-N;143.16;2.27;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_C5";;;;;;;2.41;;0.64;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM419144;MM419144;CC1CC1CCCNC=N;STVQFSDXQQUNSR-UHFFFAOYSA-N;140.23;1.62;;;;;DOPC;MDCG;27;1;"MARTINI bead: SC5_P2";;;;;;;0.54;;-5.5;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM419145;MM419145;C#CC1(C)NC1C(=O)CC;KPEDLQNXYNFQCA-UHFFFAOYSA-N;137.18;0.33;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_SP1";;;;;;;0.04;;-2.54;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM419146;MM419146;C=CC=CCC(CC)=NO;MTGOAEDIOUPKBM-UHFFFAOYSA-N;139.2;2.36;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda_C1";;;;;;;2.91;;0.57;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM419147;MM419147;C#CCc1coc(NC)c1;SJSXJTIIFZSOGW-UHFFFAOYSA-N;135.17;1.5;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNd_SC5";;;;;;;1.64;;0.02;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM419148;MM419148;C=CCC1COC2(C)CC12;BZOMWKWFLIMVCG-UHFFFAOYSA-N;138.21;1.99;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNa_SC5";;;;;;;1.64;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM419149;MM419149;C=C(C)CC=NN=CCF;JMYBMQLISYVVNS-UHFFFAOYSA-N;142.18;1.98;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4_Na";;;;;;;2.2;;0.34;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM419150;MM419150;NNC(=O)C(N)=CC(=O)O;BQKPCVIZSCBBLU-UHFFFAOYSA-N;145.12;-2.1;;;;;DOPC;MDCG;27;0;"MARTINI bead: P4_P1";;;;;;;-2.01;;-9.03;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM419151;MM419151;N=C(N)N(O)CCN1CC1;BDOZYUUPYSXFFC-UHFFFAOYSA-N;144.18;-1.11;;;;;DOPC;MDCG;27;1;"MARTINI bead: P3_SP1";;;;;;;-1.93;;-7.46;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM419152;MM419152;CCC(CC=CC=O)=NO;SDIPIENXBYQIAI-UHFFFAOYSA-N;141.17;1.37;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda_Na";;;;;;;0.87;;-1.99;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM419153;MM419153;C#CCc1coc(OC)c1;NFJXOTPPHVMQRB-UHFFFAOYSA-N;136.15;1.46;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNa_SC5";;;;;;;1.64;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM419154;MM419154;C#CC(C(=O)O)=C(N)CF;IUSMDGOYTHZBRZ-UHFFFAOYSA-N;143.12;-0.11;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_Nda";;;;;;;-0.24;;-8;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM419155;MM419155;CC12CC1C(CC#N)CO2;MGRINDFIIFUXSV-UHFFFAOYSA-N;137.18;1.33;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNa_SN0";;;;;;;1.17;;-1.18;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM419156;MM419156;C=NNCCCC1CC1C;ITCHADAFTNYAIQ-UHFFFAOYSA-N;140.23;1.63;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC5_Nd";;;;;;;1.64;;0.02;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM419157;MM419157;CN(N)C(=N)NOC1CC1;FXTSYSLKAIRTSZ-UHFFFAOYSA-N;144.18;-0.59;;;;;DOPC;MDCG;27;1;"MARTINI bead: P3_SP1";;;;;;;-1.93;;-7.42;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM419158;MM419158;CCC(CC=CC#N)=NO;JJAQMKRECFFWSN-UHFFFAOYSA-N;138.17;1.7;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda_N0";;;;;;;1.17;;-1.13;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM419159;MM419159;CCC(C)C=COC=NN;AWZMQLAQAOORMO-UHFFFAOYSA-N;142.2;1.46;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1_P1";;;;;;;2.08;;0.48;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM419160;MM419160;CCON=c1onc(O)o1;FCAPVMWMEVHXLX-UHFFFAOYSA-N;146.1;-0.17;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_SP3";;;;;;;-1.93;;-8.96;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM419161;MM419161;C=CCNCCC1CC1C;VDTHLHFXPCTHJE-UHFFFAOYSA-N;139.24;1.81;;;;;DOPC;MDCG;27;1;"MARTINI bead: SC5_Nd";;;;;;;1.64;;-2.42;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM419162;MM419162;C#CCOC(=NN=C)NC;FQVNWRRTHSMRCH-UHFFFAOYSA-N;139.16;-0.17;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_C5";;;;;;;0.54;;-1.09;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM419163;MM419163;CN(C)C(=N)CCC1CN1;LHYGFBFCRNEVLX-UHFFFAOYSA-N;141.22;0.28;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_SP1";;;;;;;0.04;;-7.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM419164;MM419164;C=CCNN=COCC=C;RTRNHUUQAKSPQW-UHFFFAOYSA-N;140.19;0.91;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_C4";;;;;;;1.37;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM419165;MM419165;CC1CC(C)C(O)C1;UIEZBRDQSWACQJ-UHFFFAOYSA-N;114.19;1.41;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC3_SNda";;;;;;;2.57;;0.44;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM419166;MM419166;C#CCc1cc(CO)[nH]n1;BNMASFIJTSKVRI-UHFFFAOYSA-N;136.15;0.08;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP1_SNda";;;;;;;0.04;;-2.73;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM419167;MM419167;CC1CC1CCNCC=O;TXZPKIINPOKUKN-UHFFFAOYSA-N;141.21;0.82;;;;;DOPC;MDCG;27;1;"MARTINI bead: SC5_P2";;;;;;;0.54;;-2.35;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM419168;MM419168;C#CCC1CCC2(C)CC12;DJEDBQGJJFLYLQ-UHFFFAOYSA-N;134.22;2.45;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC4_SC2";;;;;;;4.16;;0.44;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM419169;MM419169;CN(C)C(=N)CCC1CO1;ZOWQRIYVDIIUEK-UHFFFAOYSA-N;142.2;0.7;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_SNa";;;;;;;0.87;;-7.3;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM419170;MM419170;C=CC=CCC(CF)=NN;ZNTJAKGYFVMVOM-UHFFFAOYSA-N;142.18;1.4;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda_C4";;;;;;;2.2;;0.49;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM419171;MM419171;O=C(C=CF)C(=NO)NO;OLKRAAJQDQYGOF-UHFFFAOYSA-N;148.09;-0.19;;;;;DOPC;MDCG;27;0;"MARTINI bead: P3_C5";;;;;;;-0.33;;-2.01;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM419172;MM419172;C#CCc1cc(CF)n[nH]1;CJHVXJBOZMGYOI-UHFFFAOYSA-N;138.15;1.05;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNda_SNd";;;;;;;0.87;;-1.92;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM419173;MM419173;CC1CC1CCNCC#N;ZHPRXQLKZWEIOF-UHFFFAOYSA-N;138.21;1.15;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC5_P2";;;;;;;0.54;;-1.09;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM419174;MM419174;CN(N)C(=N)CCC1CO1;MAQBGEKOFYFSAY-UHFFFAOYSA-N;143.19;-0.05;;;;;DOPC;MDCG;27;1;"MARTINI bead: P2_SNa";;;;;;;-0.24;;-6.8;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM419175;MM419175;C#CCC1NCC2(O)CC12;DIWRHKLSJOGHAE-UHFFFAOYSA-N;137.18;-0.27;;;;;DOPC;MDCG;27;1;"MARTINI bead: SP2_SNd";;;;;;;-0.24;;-5.89;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM419176;MM419176;C=NN=CCC(CC)=NN;AWTPZZNUSQKJPQ-UHFFFAOYSA-N;140.19;0.79;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nd_C5";;;;;;;1.64;;0.02;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM419177;MM419177;C=C(C=CF)C(=CC)OC;PVGJGZSAILHBOG-UHFFFAOYSA-N;142.17;2.58;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1_C5";;;;;;;3.68;;0.46;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM419178;MM419178;NN=COC=CC(F)CF;YFJMPTQJTMKECQ-UHFFFAOYSA-N;150.13;0.73;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda_Na";;;;;;;0.87;;-1.99;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM419179;MM419179;CN=NC=CNOC(C)=O;VFNFNYUFUKWEFZ-UHFFFAOYSA-N;143.15;0.61;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_P2";;;;;;;0.54;;-1.09;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM419180;MM419180;C#CCC1NCC2(F)CC12;GYKFUWXTLXNYPV-UHFFFAOYSA-N;139.17;0.71;;;;;DOPC;MDCG;27;1;"MARTINI bead: SP1_SNd";;;;;;;0.04;;-4.41;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM419181;MM419181;CN(C)C(=N)NCC1CO1;RSROMNGAMGZVAL-UHFFFAOYSA-N;143.19;-0.53;;;;;DOPC;MDCG;27;1;"MARTINI bead: P3_SNa";;;;;;;-1.1;;-8.34;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM419182;MM419182;C=NN=CCC(CC)=NO;ITOFMOQZEXTJBT-UHFFFAOYSA-N;141.17;1.3;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda_C5";;;;;;;1.64;;0.05;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM419183;MM419183;CC=C(OC)C(=O)C=CN;OTJWDYDPIJMDBV-UHFFFAOYSA-N;141.17;0.58;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_P2";;;;;;;0.54;;-1.09;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM419184;MM419184;COC(C)C=COC=NN;GRLYSDNRVJPXPV-UHFFFAOYSA-N;144.17;0.45;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_Nda";;;;;;;0.87;;-1.99;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM419185;MM419185;CC1CC1CCOCC=O;FIDCDGODNGCQKT-UHFFFAOYSA-N;142.2;1.25;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC5_P1";;;;;;;0.81;;-0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM419186;MM419186;C#CCC1OCC2(C)CC12;IPAXVOWTMAAPLW-UHFFFAOYSA-N;136.19;1.43;;;;;DOPC;MDCG;27;0;"MARTINI bead: SN0_SC5";;;;;;;1.94;;0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM419187;MM419187;CN(O)C(=N)CCN1CC1;IFFJUXCTXBVSFK-UHFFFAOYSA-N;143.19;-0.01;;;;;DOPC;MDCG;27;1;"MARTINI bead: P2_SP1";;;;;;;-1.06;;-5.73;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM419188;MM419188;C=CC=C(C)C(O)C1CC1;ZNXLXVUHOSFXAP-UHFFFAOYSA-N;138.21;1.89;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_SC5";;;;;;;2.41;;0.64;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM419189;MM419189;C#CCc1cc(CC)on1;CXSTVVITGYYPOG-UHFFFAOYSA-N;135.17;1.41;;;;;DOPC;MDCG;27;0;"MARTINI bead: SN0_SNa";;;;;;;1.17;;-1.18;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM419190;MM419190;C=CC(=CC)C(=C)C=CF;JYTBBQHRESYFRF-UHFFFAOYSA-N;138.19;3.16;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1_C5";;;;;;;3.68;;0.46;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM419191;MM419191;N#CCOCCC1CC1O;PKMQTWWAOPDBDY-UHFFFAOYSA-N;141.17;0.3;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP1_Na";;;;;;;0.04;;-2.54;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM419192;MM419192;C#CCC1OCC2(N)CC12;VNJAXVJCDVHUSC-UHFFFAOYSA-N;137.18;0.13;;;;;DOPC;MDCG;27;1;"MARTINI bead: SP1_SC5";;;;;;;0.81;;-2.6;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM419193;MM419193;CN(C)C(=O)CCN1CC1;DMPDPHIHDXPGEB-UHFFFAOYSA-N;142.2;-0.22;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_SP1";;;;;;;-1.06;;-3.82;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM419194;MM419194;C=CC=CCC(=NC)NC;GBLVNWYPVZHUAV-UHFFFAOYSA-N;138.21;1.37;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1_C1";;;;;;;2.08;;-2.75;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM419195;MM419195;C=C(C=CF)C(C=O)=CC;ATRVRQJWAXAFEY-UHFFFAOYSA-N;140.16;2.17;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_C5";;;;;;;2.41;;0.64;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM419196;MM419196;C#CCc1cc(CO)on1;XHCQNKPFLKPELQ-UHFFFAOYSA-N;137.14;0.34;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP1_SNa";;;;;;;0.04;;-2.54;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM419197;MM419197;C=CCCNCC1CC1C;MCHWMFWEONRIAQ-UHFFFAOYSA-N;139.24;1.81;;;;;DOPC;MDCG;27;1;"MARTINI bead: SC5_Nd";;;;;;;1.64;;-3.18;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM419198;MM419198;C=C(CCC1CC1)C(=N)N;PFNZYTKLURQJCW-UHFFFAOYSA-N;138.21;1.67;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1_SC5";;;;;;;0.81;;-5.42;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM419199;MM419199;C#CCC1OCC2(O)CC12;UVRUXMGVZZOQTJ-UHFFFAOYSA-N;138.17;0.16;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP1_SC5";;;;;;;0.81;;-0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM419200;MM419200;CN=C(CC=CC#N)NC;VTCYTYLGPHJLAA-UHFFFAOYSA-N;137.19;0.7;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1_N0";;;;;;;0.34;;-5.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM419201;MM419201;C#CCc1cc(CF)on1;SPXLXIHATUGGKB-UHFFFAOYSA-N;139.13;1.32;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNa_SNa";;;;;;;0.87;;-2.22;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM419202;MM419202;C=C(C=CF)C(C#N)=CF;LCVQKTFEOFLEER-UHFFFAOYSA-N;141.12;2.4;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4_Na";;;;;;;2.2;;0.34;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM419203;MM419203;CC1CC1CNCCC=O;MGQGJSCDPJDSSD-UHFFFAOYSA-N;141.21;0.82;;;;;DOPC;MDCG;27;1;"MARTINI bead: SC5_P3";;;;;;;-0.33;;-4.63;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM419204;MM419204;C=C(C)C(=O)CCC1CC1;CIRCKROZQBKIOF-UHFFFAOYSA-N;138.21;2.32;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_SC5";;;;;;;1.64;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM419205;MM419205;C#CCC1CNC2(C)CC12;BVIAQFJGXNEDOY-UHFFFAOYSA-N;135.21;1.01;;;;;DOPC;MDCG;27;1;"MARTINI bead: SNd_SN0";;;;;;;1.17;;-4.75;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM419206;MM419206;C=CC=CCC(=NC)NN;HLIJKHJSNBVKLU-UHFFFAOYSA-N;139.2;0.61;;;;;DOPC;MDCG;27;1;"MARTINI bead: P3_C1";;;;;;;0.94;;-2.47;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM419207;MM419207;C#CCc1cc(OC)on1;XYNDMFSNIFIKFC-UHFFFAOYSA-N;137.14;0.86;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNa_SNa";;;;;;;0.87;;-2.22;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM419208;MM419208;C=CC(=CC)C(=O)C=CF;FSEGCBVNDDLUAB-UHFFFAOYSA-N;140.16;2.17;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1_Na";;;;;;;2.91;;0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM419209;MM419209;C=CCCOCC1CC1C;PGAGUBQOGVZCCQ-UHFFFAOYSA-N;140.23;2.24;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC5_Na";;;;;;;1.64;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM419210;MM419210;C=C(C)C(=C)CNC1CC1;DPXLHPYRKNJGPY-UHFFFAOYSA-N;137.23;1.87;;;;;DOPC;MDCG;27;1;"MARTINI bead: C1_SP1";;;;;;;2.08;;-0.51;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM419211;MM419211;C#CCC1COC2(C)CC12;LKCNMOLXFQWLSA-UHFFFAOYSA-N;136.19;1.43;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNa_SC5";;;;;;;1.64;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM419212;MM419212;CN=C(CC=CC=O)NO;WBGSDXJCFRJEGF-UHFFFAOYSA-N;142.16;0.14;;;;;DOPC;MDCG;27;1;"MARTINI bead: P2_Na";;;;;;;-0.24;;-4.73;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM419213;MM419213;C=CC(F)C=COC=NN;UMPRIPWCFNPKTG-UHFFFAOYSA-N;144.15;0.94;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda_Na";;;;;;;0.87;;-1.99;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM419214;MM419214;C=CC(=CF)C(=O)C=CF;RWWYXPJMXLFHLE-UHFFFAOYSA-N;144.12;2.08;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_C4";;;;;;;2.2;;0.34;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM419215;MM419215;CC1CC1COCCC=O;MGGKYXOGVFHZOO-UHFFFAOYSA-N;142.2;1.25;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC5_P2";;;;;;;0.54;;-1.09;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM419216;MM419216;C=C(CNC1CC1)C(=N)N;NBXKMBXOTDJSBN-UHFFFAOYSA-N;139.2;0.23;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1_SP1";;;;;;;-0.79;;-7.87;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM419217;MM419217;CC=CC1CNC2(C)CC12;UDQVVBDCYSWRCC-UHFFFAOYSA-N;137.23;1.56;;;;;DOPC;MDCG;27;1;"MARTINI bead: SC5_SNd";;;;;;;1.64;;-3.54;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM419218;MM419218;CN=C(CC=CC#N)NO;YKZRSXAPNIIFCY-UHFFFAOYSA-N;139.16;0.46;;;;;DOPC;MDCG;27;1;"MARTINI bead: P2_N0";;;;;;;0.06;;-3.69;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM419219;MM419219;C#CCc1c[nH]c(OC)n1;AKSKMAJLGHNMOC-UHFFFAOYSA-N;136.15;0.59;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNda_SNda";;;;;;;0.87;;-2.07;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM419220;MM419220;N#CC(=CF)C(=O)C=CF;SLUBMCNREAQTJL-UHFFFAOYSA-N;143.09;1.42;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_Na";;;;;;;0.87;;-2.22;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM419221;MM419221;C=CCCCOC1CC1O;SVFWETWYQCMBNA-UHFFFAOYSA-N;142.2;1.1;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP2_C1";;;;;;;1.8;;0.4;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM419222;MM419222;C=C(C)C(=C)COC1CC1;XUVOXTAKPXGNNP-UHFFFAOYSA-N;138.21;2.3;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1_SP1";;;;;;;2.08;;0.48;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM419223;MM419223;CC#CC1CCC2(C)CC12;JULCTUNKTHIPTN-UHFFFAOYSA-N;134.22;2.45;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC2_SC4";;;;;;;4.16;;0.44;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM419224;MM419224;N#CC=CCC(=NO)NO;WSTKREGBHRNIBQ-UHFFFAOYSA-N;141.13;0.22;;;;;DOPC;MDCG;27;0;"MARTINI bead: P4_N0";;;;;;;-0.88;;-3.74;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM419225;MM419225;C#CCc1coc(CC)n1;ZJJBMASNGINWQO-UHFFFAOYSA-N;135.17;1.41;;;;;DOPC;MDCG;27;0;"MARTINI bead: SN0_SNa";;;;;;;1.17;;-1.18;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM419226;MM419226;C=C(C=NO)C(C#N)=CC;RKLXOYIOHGIROX-UHFFFAOYSA-N;136.15;1.47;;;;;DOPC;MDCG;27;0;"MARTINI bead: N0_Nda";;;;;;;1.17;;-1.13;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM419227;MM419227;CC1CC1OCOCC#N;PQOHPQXONCYPPD-UHFFFAOYSA-N;141.17;0.91;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNa_P1";;;;;;;0.04;;-2.54;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM419228;MM419228;C=C(CCC1CN1)C(=N)N;GVAXLVHKIUODPS-UHFFFAOYSA-N;139.2;0.23;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1_SP1";;;;;;;-0.79;;-8.07;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM419229;MM419229;CC#CC1NCC2(C)CC12;FGRVYKJMEOEKFF-UHFFFAOYSA-N;135.21;1.01;;;;;DOPC;MDCG;27;1;"MARTINI bead: SNd_SN0";;;;;;;1.17;;-3.49;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM419230;MM419230;C#CCc1coc(CO)n1;VBDJVTNXNLKXQO-UHFFFAOYSA-N;137.14;0.34;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP1_SNa";;;;;;;0.04;;-2.54;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM419231;MM419231;C=NN=CCC(=NC)NC;CXGNTRHSTJYDDM-UHFFFAOYSA-N;140.19;0.31;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1_C5";;;;;;;0.81;;-4.45;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM419232;MM419232;C=C(C=NO)C(C=O)=CN;RXKOTACTMRPVSS-UHFFFAOYSA-N;140.14;0.04;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda_P1";;;;;;;0.04;;-2.73;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM419233;MM419233;N#CCOCOC1CC1O;HZJRTPHVAUJRLN-UHFFFAOYSA-N;143.14;-0.37;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP2_P1";;;;;;;-1.06;;-3.82;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM419234;MM419234;CC#CC1NCC2(O)CC12;VEXROVSHNGRGOL-UHFFFAOYSA-N;137.18;-0.27;;;;;DOPC;MDCG;27;1;"MARTINI bead: SNd_SP2";;;;;;;-0.24;;-5.02;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM419235;MM419235;C=C(C)C(=C)CCC1CO1;SOBYYBWXUNUKBT-UHFFFAOYSA-N;138.21;2.3;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1_SNa";;;;;;;2.91;;0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM419236;MM419236;C=NN=CCC(=NO)NO;WAKMTTCIBLIBPD-UHFFFAOYSA-N;144.13;-0.17;;;;;DOPC;MDCG;27;0;"MARTINI bead: P4_C5";;;;;;;-0.41;;-2.78;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM419237;MM419237;C#CCc1coc(CF)n1;XBOIRYGZYGDTGQ-UHFFFAOYSA-N;139.13;1.32;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNa_SNa";;;;;;;0.87;;-2.22;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM419238;MM419238;C=CCOCCC1OC1C;DRGNMKFZUCTTPC-UHFFFAOYSA-N;142.2;1.37;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNa_C5";;;;;;;1.64;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM419239;MM419239;CC=NN=c1onc(O)o1;AZWCGJFMXKFXQE-UHFFFAOYSA-N;143.1;-0.12;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_SP3";;;;;;;-1.93;;-8.96;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM419240;MM419240;CC#CC1CNC2(C)CC12;MXYUQHZIZIFJNV-UHFFFAOYSA-N;135.21;1.01;;;;;DOPC;MDCG;27;1;"MARTINI bead: SN0_SNd";;;;;;;1.17;;-4.2;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM419241;MM419241;CCC1(O)CC1C1(C)CC1;GBVFIQCCRRGVBL-UHFFFAOYSA-N;140.23;1.95;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNda_SC5";;;;;;;1.64;;0.05;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM419242;MM419242;C=CC=CCC(=CC)OC;FSRTVFQDVHLLJG-UHFFFAOYSA-N;138.21;2.67;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_C1";;;;;;;3.68;;0.46;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM419243;MM419243;C#CC(C)C=COC=NN;ANEIYBFCELBBJQ-UHFFFAOYSA-N;138.17;0.69;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4_P1";;;;;;;1.37;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM419244;MM419244;CC1OC1CCOCC#N;XDQAPZHWBUANEJ-UHFFFAOYSA-N;141.17;0.7;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNa_Na";;;;;;;0.87;;-2.22;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM419245;MM419245;C#CC(=CC)C(=C)C=CF;CWFVEIYZKUSQIO-UHFFFAOYSA-N;136.17;2.61;;;;;DOPC;MDCG;27;0;"MARTINI bead: C3_C5";;;;;;;3.34;;0.48;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM419246;MM419246;CC#CC1COC2(C)CC12;LUBKBJPAPHWRSQ-UHFFFAOYSA-N;136.19;1.43;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC5_SNa";;;;;;;1.64;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM419247;MM419247;CC=C(CC=CC=O)OC;WYVYDFIJONFAHQ-UHFFFAOYSA-N;140.18;1.68;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_Na";;;;;;;1.64;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM419248;MM419248;C=C(CCN1CC1)C(=N)N;VANNTNUGPBERJZ-UHFFFAOYSA-N;139.2;0.18;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1_SP1";;;;;;;-0.79;;-8.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM419249;MM419249;C#CCc1coc(OC)n1;WHQNVIXUMKYXJE-UHFFFAOYSA-N;137.14;0.86;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNa_SNa";;;;;;;0.87;;-2.22;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM419250;MM419250;C=CCCNCC1OC1C;UGZINJOQFLNLBL-UHFFFAOYSA-N;141.21;0.94;;;;;DOPC;MDCG;27;1;"MARTINI bead: SNa_Nd";;;;;;;0.87;;-4.24;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM419251;MM419251;C#CC(=CF)C(=C)C=CF;SIXSJSGVTMVMGQ-UHFFFAOYSA-N;140.13;2.51;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4_C5";;;;;;;2.97;;0.45;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM419252;MM419252;CCC=C1CNC2(C)CC12;YFCPWVLNCIDDNG-UHFFFAOYSA-N;137.23;1.7;;;;;DOPC;MDCG;27;1;"MARTINI bead: SN0_SNd";;;;;;;1.17;;-3.82;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM419253;MM419253;CC=C(CC=CC#N)OC;CKRCCVUMDJSCCB-UHFFFAOYSA-N;137.18;2.01;;;;;DOPC;MDCG;27;0;"MARTINI bead: C3_N0";;;;;;;2.87;;0.37;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM419254;MM419254;C=CC(=O)N(C)C(C)=NN;YXYSOVXQEAYEAD-UHFFFAOYSA-N;141.17;-0.08;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_Na";;;;;;;0.04;;-2.54;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM419255;MM419255;C#CCc1n[nH]c(NC)n1;HSTKSGIIESPOOY-UHFFFAOYSA-N;136.16;0.02;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP1_SNda";;;;;;;0.04;;-2.73;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM419256;MM419256;CN1CC1CCNCC#N;NQBNDBDTVNGUJW-UHFFFAOYSA-N;139.2;-0.2;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNd_P2";;;;;;;-0.24;;-3.16;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM419257;MM419257;CCC=C1COC2(C)CC12;DSAXLZMXDSNGBT-UHFFFAOYSA-N;138.21;2.13;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC5_SNa";;;;;;;1.64;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM419258;MM419258;C#CC(=CN)C(=O)C=CN;AAIIQLJJDLNMOH-UHFFFAOYSA-N;136.15;-0.5;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_Nda";;;;;;;-0.24;;-3.31;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM419259;MM419259;C=CC=CCC(=CF)OC;HGFIJMGIMQUUSN-UHFFFAOYSA-N;142.17;2.58;;;;;DOPC;MDCG;27;0;"MARTINI bead: N0_C1";;;;;;;3.21;;0.46;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM419260;MM419260;C#CCCC(O)C(C)C=C;LNRXJPDLEKEHQJ-UHFFFAOYSA-N;138.21;1.58;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda_C5";;;;;;;1.64;;0.05;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM419261;MM419261;CN1CC1CCOCC#N;LDNHCPMOJLVEFA-UHFFFAOYSA-N;140.19;0.23;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP1_Na";;;;;;;0.04;;-2.54;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM419262;MM419262;C#CCc1noc(CC)n1;WOOJDLCXABYLQN-UHFFFAOYSA-N;136.15;0.81;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNa_SNa";;;;;;;0.87;;-2.22;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM419263;MM419263;CCC=C1CCC2(C)OC12;WPWUXZSTJJPWOB-UHFFFAOYSA-N;138.21;2.27;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC1_SNa";;;;;;;2.91;;0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM419264;MM419264;C#CC(=CF)C(=O)C=CN;HCBHYJBVMMPDAZ-UHFFFAOYSA-N;139.13;0.51;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_C5";;;;;;;0.54;;-1.09;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM419265;MM419265;COC(=CF)CC=CC=O;LMJAEGRGCMXOPG-UHFFFAOYSA-N;144.15;1.59;;;;;DOPC;MDCG;27;0;"MARTINI bead: N0_Na";;;;;;;1.17;;-1.18;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM419266;MM419266;CC(C=CC1CC1)N(C)C;SDJBNIYUPXMMMQ-UHFFFAOYSA-N;139.24;1.9;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_SC5";;;;;;;1.64;;-1.72;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM419267;MM419267;CC(C)=CC=NN=CCF;NKLVGHLRJPWGFI-UHFFFAOYSA-N;142.18;1.98;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1_P1";;;;;;;2.08;;0.48;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM419268;MM419268;C#CCc1noc(CO)n1;OZWWZZGZWCDLGJ-UHFFFAOYSA-N;138.13;-0.26;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP1_SNa";;;;;;;0.04;;-2.54;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM419269;MM419269;CC12CCC(=CCN)C1O2;FMHJCPWHRZOWIA-UHFFFAOYSA-N;139.2;0.82;;;;;DOPC;MDCG;27;1;"MARTINI bead: SNa_SNd";;;;;;;0.87;;-4.12;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM419270;MM419270;C#CC(=CF)C(=O)C=CF;UZZIHYPLDBUWOA-UHFFFAOYSA-N;142.1;1.53;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_C5";;;;;;;1.64;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM419271;MM419271;COC(=CF)CC=CC#N;QTMZNWAYTDSZAO-UHFFFAOYSA-N;141.15;1.91;;;;;DOPC;MDCG;27;0;"MARTINI bead: N0_N0";;;;;;;1.47;;-0.05;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM419272;MM419272;CN(C)N(C)C=NC1CC1;UBSBBPFMNCPLGQ-UHFFFAOYSA-N;141.22;0.59;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1_SP1";;;;;;;-0.79;;-4.55;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM419273;MM419273;CC1CN1CCOCC#N;YRGZGQCVXQXSQM-UHFFFAOYSA-N;140.19;0.23;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNd_P1";;;;;;;0.04;;-2.63;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM419274;MM419274;C#CCc1noc(CF)n1;ZXIHMVXOYCJFRM-UHFFFAOYSA-N;140.12;0.71;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNa_SNa";;;;;;;0.87;;-2.22;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM419275;MM419275;CCN=C1CCC2(C)CN12;CNBYWCLRAZGTIH-UHFFFAOYSA-N;138.21;1.27;;;;;DOPC;MDCG;27;1;"MARTINI bead: SC5_SN0";;;;;;;1.94;;-1.37;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM419276;MM419276;C#CC(=NO)C(=C)C=CF;OVLRUFHCHRODQB-UHFFFAOYSA-N;139.13;1.49;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda_C5";;;;;;;1.64;;0.05;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM419277;MM419277;O=CC1CCC2(C=O)CN12;QRIKJQYWQHIGBR-UHFFFAOYSA-N;139.15;-0.4;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP1_SP1";;;;;;;-0.79;;-3.13;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM419278;MM419278;CC(C=CC1CN1)N(C)C;FAXBEACVFKNYIB-UHFFFAOYSA-N;140.23;0.46;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_SP1";;;;;;;0.04;;-4.45;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM419279;MM419279;C#CCc1noc(NC)n1;ATDVENWZCZULPX-UHFFFAOYSA-N;137.14;0.29;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNda_SNa";;;;;;;0.87;;-1.99;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM419280;MM419280;C#CCCCCC1CC1C;GKDXTBVARJRNMA-UHFFFAOYSA-N;136.24;2.84;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC5_C3";;;;;;;3.34;;0.48;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM419281;MM419281;C=CC=C1CNC2(C)CC12;XMSSXCKXMVGEGV-UHFFFAOYSA-N;135.21;1.48;;;;;DOPC;MDCG;27;1;"MARTINI bead: SNd_SN0";;;;;;;1.17;;-3.86;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM419282;MM419282;CC#CC(C)C(=CC)CC;AITPFAUHRVFOCB-UHFFFAOYSA-N;136.24;3;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1_C3";;;;;;;4.61;;0.31;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM419283;MM419283;CC(C=CC1CO1)N(C)C;ORSBMKIRQBGFNA-UHFFFAOYSA-N;141.21;0.89;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_SNa";;;;;;;0.87;;-3.7;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM419284;MM419284;C=CC=CCC(=NO)OC;DVNJQNQDRRLMEK-UHFFFAOYSA-N;141.17;1.55;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_C1";;;;;;;1.8;;0.4;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM419285;MM419285;C#CCc1noc(OC)n1;ZJTMDBDGQBCSKO-UHFFFAOYSA-N;138.13;0.25;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNa_SNa";;;;;;;0.87;;-2.22;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM419286;MM419286;C#CCNCCC1CC1C;PYEIQFFEZDNNLA-UHFFFAOYSA-N;137.23;1.26;;;;;DOPC;MDCG;27;1;"MARTINI bead: SC5_P2";;;;;;;0.54;;-3.05;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM419287;MM419287;CC#CC(C)C(=CC)CN;DYDIXALHLNHDFS-UHFFFAOYSA-N;137.23;1.55;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_C3";;;;;;;2.57;;-0.93;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM419288;MM419288;CC12CC1C(=CC#N)CN2;IJBQWIDHNPICPP-UHFFFAOYSA-N;134.18;0.82;;;;;DOPC;MDCG;27;1;"MARTINI bead: SNd_SP1";;;;;;;0.04;;-4.44;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM419289;MM419289;C=C(C)C(C)C=CC1CC1;SBEKEFSRGWCOBX-UHFFFAOYSA-N;136.24;3.16;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1_SC5";;;;;;;3.68;;0.46;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM419290;MM419290;C=CC1=CC(CCC)=CC1;ZLUSQAFWGCLAIC-UHFFFAOYSA-N;134.22;3.23;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC2_SC4";;;;;;;4.16;;0.44;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM419291;MM419291;C=CC=C1COC2(C)CC12;CRXCKSPORHJLIO-UHFFFAOYSA-N;136.19;1.91;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNa_SC5";;;;;;;1.64;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM419292;MM419292;C#CCNCCC1CC1N;ZOSLCACILHTLSC-UHFFFAOYSA-N;138.21;-0.05;;;;;DOPC;MDCG;27;1;"MARTINI bead: SP1_Nd";;;;;;;0.04;;-5.36;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM419293;MM419293;C=NN=CCC(=NO)OC;YXPVHPUETRTUJH-UHFFFAOYSA-N;143.15;0.5;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_P2";;;;;;;0.54;;-1.09;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM419294;MM419294;CC#CC(C)C(=CF)CN;CLPFFVZPYUREJD-UHFFFAOYSA-N;141.19;1.46;;;;;DOPC;MDCG;27;1;"MARTINI bead: C3_P1";;;;;;;1.74;;-1.46;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM419295;MM419295;C=CC1=CC(CCN)=CC1;LIBFKIFQYVICOR-UHFFFAOYSA-N;135.21;1.78;;;;;DOPC;MDCG;27;1;"MARTINI bead: SNd_SC4";;;;;;;2.2;;-2.17;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM419296;MM419296;CC(C=CC1CC1)C(=N)N;PAGREZATTXPWQX-UHFFFAOYSA-N;138.21;1.52;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_SC5";;;;;;;1.64;;-4.83;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM419297;MM419297;CC12CC1C(=CC#N)CO2;INQUOXQJSBNAHN-UHFFFAOYSA-N;135.17;1.25;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNa_SN0";;;;;;;1.17;;-1.18;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM419298;MM419298;C#CCNCCC1CC1O;JEWIXMBNWGHSDI-UHFFFAOYSA-N;139.2;-0.02;;;;;DOPC;MDCG;27;1;"MARTINI bead: SP1_Nd";;;;;;;0.04;;-4.31;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM419299;MM419299;CC1CCC(O)C1C;SILZXJUHRUTSCO-UHFFFAOYSA-N;114.19;1.41;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC3_SNda";;;;;;;2.57;;0.44;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM419300;MM419300;CC=C(CC)N=CNC=O;ZMCTZYJUSCQJSC-UHFFFAOYSA-N;140.19;1.07;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1_P4";;;;;;;0.85;;-0.64;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM419301;MM419301;CC(=NN)C(=O)OC=CF;HEHCRSNTAIIHJD-UHFFFAOYSA-N;146.12;0.3;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nd_Na";;;;;;;0.87;;-1.88;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM419302;MM419302;C=CC=C1CCC2(C)OC12;QVSTVWMTAIZMBB-UHFFFAOYSA-N;136.19;2.05;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNa_SC2";;;;;;;2.83;;0.35;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM419303;MM419303;CCCC1=CCC(C=O)=C1;HPZBPIKTINXJPW-UHFFFAOYSA-N;136.19;2.24;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC2_SNa";;;;;;;2.83;;0.35;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM419304;MM419304;CC#CC(N)C(=CC)CC;AUCHMRXGYURWHN-UHFFFAOYSA-N;137.23;1.69;;;;;DOPC;MDCG;27;1;"MARTINI bead: C1_Nd";;;;;;;2.91;;0.49;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM419305;MM419305;C#CCOCCC1CC1C;UNUCTNYGEYXLQL-UHFFFAOYSA-N;138.21;1.68;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC5_Na";;;;;;;1.64;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM419306;MM419306;CCC(=CF)N=CNC=N;TXAGLJIFRUBHGE-UHFFFAOYSA-N;143.17;1.43;;;;;DOPC;MDCG;27;1;"MARTINI bead: C3_P4";;;;;;;0.52;;-3.1;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM419307;MM419307;CC(=N)N(N)C=CC1CC1;YTOWAFCAJZBDJT-UHFFFAOYSA-N;139.2;1.08;;;;;DOPC;MDCG;27;1;"MARTINI bead: P2_SC5";;;;;;;0.54;;-4.55;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM419308;MM419308;C#CCOCCC1CC1N;FADGXZZTCQJJHL-UHFFFAOYSA-N;139.2;0.37;;;;;DOPC;MDCG;27;1;"MARTINI bead: SNd_Na";;;;;;;0.87;;-4.53;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM419309;MM419309;CC12CCC(=CC#N)C1O2;QEJVKIBTXGJECI-UHFFFAOYSA-N;135.17;1.39;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNa_SC5";;;;;;;1.64;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM419310;MM419310;CCCC1=CCC(C#N)=C1;JRXIRMZAMSYUPS-UHFFFAOYSA-N;133.19;2.57;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC2_SN0";;;;;;;3.13;;0.3;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM419311;MM419311;CC#CC(N)C(=CF)CC;VRWDBWSLIXZSPQ-UHFFFAOYSA-N;141.19;1.6;;;;;DOPC;MDCG;27;1;"MARTINI bead: C3_Nd";;;;;;;2.57;;0.05;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM419312;MM419312;CCC(=CF)N=CNC=O;UOQJCARVPUJCLD-UHFFFAOYSA-N;144.15;0.98;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4_P3";;;;;;;0.23;;-1.03;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM419313;MM419313;CC(=O)N(N)C=CC1CC1;JXVFBRUARFIEDE-UHFFFAOYSA-N;140.19;0.63;;;;;DOPC;MDCG;27;0;"MARTINI bead: P3_SC5";;;;;;;-0.33;;-2.01;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM419314;MM419314;C#CCOCCC1CC1O;HFJLIBCXSMBLEY-UHFFFAOYSA-N;140.18;0.41;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP1_Na";;;;;;;0.04;;-2.54;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM419315;MM419315;C=CC1=CC(CNC)=CC1;XTMKZTRJWPCJIF-UHFFFAOYSA-N;135.21;1.65;;;;;DOPC;MDCG;27;1;"MARTINI bead: SNd_SC4";;;;;;;2.2;;-1.76;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM419316;MM419316;CC12CCC(=CC#N)N1C2;BAMPHRDLUZCPMQ-UHFFFAOYSA-N;134.18;1.26;;;;;DOPC;MDCG;27;0;"MARTINI bead: SN0_SNd";;;;;;;1.17;;-1.04;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM419317;MM419317;CC#CC(N)C(=CC)CN;CRORZDYMRQGGOL-UHFFFAOYSA-N;138.21;0.24;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_Nd";;;;;;;0.87;;-4.03;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM419318;MM419318;N=CNC=NC(=CF)CO;RBFYRUXAYNXNMP-UHFFFAOYSA-N;145.14;0.01;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nda_P4";;;;;;;-1.19;;-6.37;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM419319;MM419319;CC(=N)N(O)C=CC1CC1;USVUUPGQQOTDPK-UHFFFAOYSA-N;140.19;1.6;;;;;DOPC;MDCG;27;1;"MARTINI bead: P2_SC5";;;;;;;0.54;;-3.14;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM419320;MM419320;C#CCCNCC1CC1C;ZCVGORQBLCGPBL-UHFFFAOYSA-N;137.23;1.26;;;;;DOPC;MDCG;27;1;"MARTINI bead: SC5_Nd";;;;;;;1.64;;-2.76;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM419321;MM419321;C#CC=C1CNC2(C)CC12;ITVSTYMXPYPUGB-UHFFFAOYSA-N;133.19;0.93;;;;;DOPC;MDCG;27;1;"MARTINI bead: SNd_SN0";;;;;;;1.17;;-3.74;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM419322;MM419322;CNCC1=CCC(C#N)=C1;DNZFTAIQHWRPHA-UHFFFAOYSA-N;134.18;0.99;;;;;DOPC;MDCG;27;1;"MARTINI bead: SNd_SN0";;;;;;;1.17;;-3.37;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM419323;MM419323;CC#CC(O)C(=CC)CC;NOTDVTYGZFDVKF-UHFFFAOYSA-N;138.21;1.73;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1_Nda";;;;;;;2.91;;0.57;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM419324;MM419324;O=CNC=NC(=CF)CO;IRDIOKGEJXVLEI-UHFFFAOYSA-N;146.12;-0.44;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda_P3";;;;;;;-1.1;;-3.97;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM419325;MM419325;C=C(C)N(N)C=NC1CC1;XDSAHAHHDUHPDZ-UHFFFAOYSA-N;139.2;0.89;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_SP1";;;;;;;0.04;;-3.96;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM419326;MM419326;C#CCCNCC1CC1O;PUVFIEXFRKRCNB-UHFFFAOYSA-N;139.2;-0.02;;;;;DOPC;MDCG;27;1;"MARTINI bead: SP1_Nd";;;;;;;0.04;;-4.97;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM419327;MM419327;C#CC=C1COC2(C)CC12;WZFMYWGZLALKNJ-UHFFFAOYSA-N;134.18;1.35;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNa_SN0";;;;;;;1.17;;-1.18;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM419328;MM419328;C=CC1=CC(OCC)=CC1;YITCUMRNQLWIRO-UHFFFAOYSA-N;136.19;2.42;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC5_SC4";;;;;;;2.97;;0.45;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM419329;MM419329;CC#CC(O)C(=CF)CC;IKABXBFEYXBRSH-UHFFFAOYSA-N;142.17;1.63;;;;;DOPC;MDCG;27;0;"MARTINI bead: C3_Nda";;;;;;;2.57;;0.44;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM419330;MM419330;CC=C(CF)N=CNC=O;QZULQOAWRZSZMV-UHFFFAOYSA-N;144.15;0.63;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4_P3";;;;;;;0.23;;-1.03;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM419331;MM419331;C#CCCCNC1CC1C;PAXIHOWCGPEEGX-UHFFFAOYSA-N;137.23;1.4;;;;;DOPC;MDCG;27;1;"MARTINI bead: SNd_C3";;;;;;;2.57;;-1.69;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM419332;MM419332;C#CC=C1CCC2(C)OC12;KEBLJMSQEDDEQQ-UHFFFAOYSA-N;134.18;1.5;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNa_SC4";;;;;;;2.2;;0.34;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM419333;MM419333;CC(=N)N(N)C=NC1CC1;QTVBJMPNDQHFGO-UHFFFAOYSA-N;140.19;0.35;;;;;DOPC;MDCG;27;1;"MARTINI bead: P2_SP1";;;;;;;-1.06;;-5.32;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM419334;MM419334;CCOC1=CCC(C=O)=C1;MHFSLDBSNKOGTO-UHFFFAOYSA-N;138.17;1.44;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC5_SNa";;;;;;;1.64;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM419335;MM419335;CC#CC(O)C(=CC)CN;SGHGJXYQNUDKQL-UHFFFAOYSA-N;139.2;0.28;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_Nda";;;;;;;0.87;;-3.76;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM419336;MM419336;CC1(F)C=NNC1=N;UGNDVHZSOBYBGN-UHFFFAOYSA-N;115.11;0.28;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNa_SP1";;;;;;;0.04;;-2.54;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM419337;MM419337;C#CCCCOC1CC1C;XELKNPWFQMXWMY-UHFFFAOYSA-N;138.21;1.82;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNa_C3";;;;;;;2.57;;0.45;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM419338;MM419338;CN=C(NOC=O)C(C)=O;HAMVSGLHEVHPLE-UHFFFAOYSA-N;144.13;-0.72;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_P2";;;;;;;-0.24;;-3.24;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM419339;MM419339;CC(=N)N(N)C=CC1CN1;XSPWYAGCRXDBGI-UHFFFAOYSA-N;140.19;-0.36;;;;;DOPC;MDCG;27;1;"MARTINI bead: P2_SP1";;;;;;;-1.06;;-7.14;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM419340;MM419340;CCOC1=CCC(C#N)=C1;DLZLYLUFNXCBQS-UHFFFAOYSA-N;135.17;1.76;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC5_SN0";;;;;;;1.94;;0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM419341;MM419341;C#CC(=O)C1(C)NC1C;OROWGVSDCOWPTI-UHFFFAOYSA-N;123.16;-0.06;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP1_P1";;;;;;;-0.79;;-3.13;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM419342;MM419342;CC#CC(O)C(=CF)CO;NVKXCTSYWYAQFX-UHFFFAOYSA-N;144.15;0.22;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_Na";;;;;;;-0.24;;-3.24;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM419343;MM419343;C#CCOCCC1OC1C;SLZHKZTVPUEVRI-UHFFFAOYSA-N;140.18;0.81;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNa_Na";;;;;;;0.87;;-2.22;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM419344;MM419344;C#CC(=O)C1(C)CN1C;GQBNPZYEPISJIG-UHFFFAOYSA-N;123.16;-0.11;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNd_P1";;;;;;;0.04;;-2.63;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM419345;MM419345;CC(C=CC1CO1)C(=N)N;DWZXEHVRHYREFE-UHFFFAOYSA-N;140.19;0.51;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_SNa";;;;;;;0.87;;-6.8;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM419346;MM419346;C#CCN1N=CC2(F)CC12;VXYODKMHIRRDDE-UHFFFAOYSA-N;138.15;0.4;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC5_SP1";;;;;;;0.81;;-0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM419347;MM419347;C=Cc1cc(CCC)c[nH]1;JPBOFWLNSLTQNG-UHFFFAOYSA-N;135.21;2.61;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC4_SNd";;;;;;;2.2;;0.32;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM419348;MM419348;CC#CC(F)C(=CC)CC;XDHHJYDWHBURGG-UHFFFAOYSA-N;140.2;2.7;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1_C5";;;;;;;3.68;;0.46;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM419349;MM419349;C#CCCNCC1OC1C;YHYZJYRFPSRZOV-UHFFFAOYSA-N;139.2;0.39;;;;;DOPC;MDCG;27;1;"MARTINI bead: SNa_Nd";;;;;;;0.87;;-3.81;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM419350;MM419350;C=C(C)C(N)C=CC1CO1;KRSPJYSVORZGGP-UHFFFAOYSA-N;139.2;0.84;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_SNa";;;;;;;0.87;;-3.83;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM419351;MM419351;CCC=NNC(=N)C#N;OJFMAMVMMQZJPV-UHFFFAOYSA-N;124.15;0.47;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_P1";;;;;;;0.81;;-0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM419352;MM419352;C=Cc1cc(CCN)c[nH]1;FDWILCCJZREIRF-UHFFFAOYSA-N;136.2;1.16;;;;;DOPC;MDCG;27;1;"MARTINI bead: SNd_SNd";;;;;;;0.87;;-4.48;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM419353;MM419353;CCC=C1C=CC2(C)CC12;JZSZHKPYEHCFKP-UHFFFAOYSA-N;134.22;2.92;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC2_SC4";;;;;;;4.16;;0.44;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM419354;MM419354;CC#CC(F)C(=CC)CN;WIZVEQASFCUSCP-UHFFFAOYSA-N;141.19;1.25;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_C5";;;;;;;1.64;;-2.02;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM419355;MM419355;C#CCNCCC1CN1C;HJEMYFUTPIJQEO-UHFFFAOYSA-N;138.21;-0.09;;;;;DOPC;MDCG;27;1;"MARTINI bead: SP1_Nd";;;;;;;0.04;;-4.25;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM419356;MM419356;CC(C=NN1CC1)C(=N)N;IUPBLJQCEDSVPF-UHFFFAOYSA-N;140.19;-0.14;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_SP3";;;;;;;-1.1;;-8.05;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM419357;MM419357;CCCc1c[nH]c(C#N)c1;DICDPTCTDXJLBQ-UHFFFAOYSA-N;134.18;1.84;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC4_SNd";;;;;;;2.2;;0.32;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM419358;MM419358;C=CC=CN=C(CC)NC;UNCTVZQYZFYXEY-UHFFFAOYSA-N;138.21;1.71;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_C4";;;;;;;2.2;;-3.69;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM419359;MM419359;CC12C=CC(=CCN)C1C2;ZVDCJSWBTPENHS-UHFFFAOYSA-N;135.21;1.47;;;;;DOPC;MDCG;27;1;"MARTINI bead: SC4_SNd";;;;;;;2.2;;-1.66;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM419360;MM419360;CC#CC(F)C(=CF)CN;SWWXQTFRHDTKMZ-UHFFFAOYSA-N;145.15;1.16;;;;;DOPC;MDCG;27;1;"MARTINI bead: C5_P1";;;;;;;0.81;;-2.53;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM419361;MM419361;C#CCOCCC1CN1C;OYFFPHOCCWPXBA-UHFFFAOYSA-N;139.2;0.34;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNd_Na";;;;;;;0.87;;-1.88;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM419362;MM419362;N=C(N)C(O)C=NN1CC1;WFWCFIPVILWGIL-UHFFFAOYSA-N;142.16;-1.42;;;;;DOPC;MDCG;27;1;"MARTINI bead: P3_SP3";;;;;;;-3.07;;-9.2;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM419363;MM419363;CNCc1c[nH]c(C#N)c1;ZDMYQZJIUHBRDK-UHFFFAOYSA-N;135.17;0.61;;;;;DOPC;MDCG;27;1;"MARTINI bead: SNd_SNd";;;;;;;0.87;;-3.83;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM419364;MM419364;CCC(=NC=CC=O)NC;SQQLVFAMHUTNPW-UHFFFAOYSA-N;140.19;0.73;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_Na";;;;;;;0.87;;-5.57;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM419365;MM419365;NCC=C1C=CC2(N)CC12;YDBPQWQEDBBEMV-UHFFFAOYSA-N;136.2;0.16;;;;;DOPC;MDCG;27;1;"MARTINI bead: SNd_SNd";;;;;;;0.87;;-4.67;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM419366;MM419366;CC#CC(F)C(=CC)CO;DCPCVZCJRZEXGG-UHFFFAOYSA-N;142.17;1.29;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda_C5";;;;;;;1.64;;0.05;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM419367;MM419367;C#CCOCCN1CC1C;OHHDVMFOBYBQOU-UHFFFAOYSA-N;139.2;0.34;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNd_Na";;;;;;;0.87;;-1.88;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM419368;MM419368;C=C(C=CC1CC1)C(C)C;NKWQIQJJJMCWJF-UHFFFAOYSA-N;136.24;3.16;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1_SC5";;;;;;;3.68;;0.46;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM419369;MM419369;CCC(=NC=CC#N)NC;ZLFYQJBYVUGHAL-UHFFFAOYSA-N;137.19;1.05;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_N0";;;;;;;1.17;;-4.44;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM419370;MM419370;C#CC(F)C=COC=NN;VTGPXFZDFAQBPW-UHFFFAOYSA-N;142.13;0.39;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda_Na";;;;;;;0.87;;-1.99;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM419371;MM419371;Cn1oc(=NN)c(=O)n1N;QECFLJIXLAIROP-UHFFFAOYSA-N;145.12;-2.73;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP2_SP2";;;;;;;-1.34;;-4.31;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM419372;MM419372;CC#CC(C)C(CC)=NN;CMDQUGRKOCHDGN-UHFFFAOYSA-N;138.21;1.37;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nd_C3";;;;;;;2.57;;0.53;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM419373;MM419373;CC=CCCCC1CC1C;WQUFGVTYPDTWCJ-UHFFFAOYSA-N;138.25;3.39;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1_SC5";;;;;;;3.68;;0.46;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM419374;MM419374;C=CC=CNC(CC)=NN;QGKSYVKIZHEMGJ-UHFFFAOYSA-N;139.2;0.96;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1_C4";;;;;;;1.37;;-1.57;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM419375;MM419375;C=C(C=COC=NN)CC;ZRNMDAYSANOOMQ-UHFFFAOYSA-N;140.19;1.38;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1_P1";;;;;;;2.08;;0.48;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM419376;MM419376;CC(O)C(=O)C=CC1CC1;LARDJQHVMGHZEI-UHFFFAOYSA-N;140.18;0.9;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_SC5";;;;;;;0.54;;-1.09;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM419377;MM419377;NCC=C1C=CC2(O)CC12;IKNPGGNCUJMHAO-UHFFFAOYSA-N;137.18;0.19;;;;;DOPC;MDCG;27;1;"MARTINI bead: SNd_SNda";;;;;;;0.87;;-4.15;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM419378;MM419378;CCC(O)C1CC1C;BLNMNBHHOXRJRI-UHFFFAOYSA-N;114.19;1.41;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda_SC5";;;;;;;1.64;;0.05;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM419379;MM419379;CC1CC1CCCC=CF;MYGFBZMZANBOAP-UHFFFAOYSA-N;142.22;3.3;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC5_C3";;;;;;;3.34;;0.48;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM419380;MM419380;N=C1N=C(N)C(=O)N1N;FSZDDAVXUUQVDV-UHFFFAOYSA-N;127.11;-2.01;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP2_SP3";;;;;;;-2.2;;-5.19;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM419381;MM419381;C=Cc1cc(OCC)c[nH]1;YRECBYXQKQBQPF-UHFFFAOYSA-N;137.18;2.06;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNa_SNd";;;;;;;0.87;;-1.88;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM419382;MM419382;CCC=C1C=CC2(F)CC12;CWHUPKMOZSWPDO-UHFFFAOYSA-N;138.19;2.62;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC2_SC5";;;;;;;3.6;;0.34;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM419383;MM419383;CC(O)C(=O)C=CC1CO1;JRXBKOBYFJARIH-UHFFFAOYSA-N;142.15;-0.11;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_SNa";;;;;;;-0.24;;-3.24;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM419384;MM419384;CC#CC(O)C(CO)=NN;YVFDSJHHDCCADZ-UHFFFAOYSA-N;142.16;-1.32;;;;;DOPC;MDCG;27;0;"MARTINI bead: N0_P5";;;;;;;-0.81;;-4.41;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM419385;MM419385;C#CC1CC(C)C(O)C1;DSPAZUDMQRYBML-UHFFFAOYSA-N;124.18;1.03;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC4_SNda";;;;;;;2.2;;0.49;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM419386;MM419386;CC1CC1CCCC=NN;ORXJIEWFQCUPPZ-UHFFFAOYSA-N;140.23;1.76;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC5_Nd";;;;;;;1.64;;0.02;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM419387;MM419387;NCC=C1C=CC2(F)CC12;OEIKCHHTMZOQRQ-UHFFFAOYSA-N;139.17;1.17;;;;;DOPC;MDCG;27;1;"MARTINI bead: SNd_SC5";;;;;;;1.64;;-2.13;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM419388;MM419388;CCOc1c[nH]c(C#N)c1;PSQFJTGHVOGOBT-UHFFFAOYSA-N;136.15;1.29;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNa_SNd";;;;;;;0.87;;-1.88;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM419389;MM419389;CC(C)C(=O)C=CN1CC1;RIOBLZFDNZEKQC-UHFFFAOYSA-N;139.2;1.04;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_SP1";;;;;;;0.04;;-2.54;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM419390;MM419390;CC(O)(CC#N)CC(=O)O;YVLRCNSFUKRWAO-UHFFFAOYSA-N;143.14;0.13;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_P1";;;;;;;-0.79;;-8;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM419391;MM419391;CC1CC1CCCC=NO;NKUYHACOLSSAHS-UHFFFAOYSA-N;141.21;2.27;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC5_Nda";;;;;;;1.64;;0.05;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM419392;MM419392;Nc1ncn(N)c(=O)n1;QFIXQXFLBHXJMI-UHFFFAOYSA-N;127.11;-2.07;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP1_SP4";;;;;;;-2.01;;-5.13;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM419393;MM419393;CC(O)C(=O)C=CN1CC1;LMPSEOLGTBKFSU-UHFFFAOYSA-N;141.17;-0.23;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_SP1";;;;;;;-1.06;;-3.82;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM419394;MM419394;C=Cc1cc(CCC)co1;WNEKEVCCTZKQBV-UHFFFAOYSA-N;136.19;2.88;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC3_SC5";;;;;;;3.34;;0.48;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM419395;MM419395;C=CC=C1C=CC2(C)CC12;KHCBAZJFZDQQQH-UHFFFAOYSA-N;132.21;2.69;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC4_SC4";;;;;;;3.53;;0.53;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM419396;MM419396;CCCC(O)C1CC1;WVALFCMAGSOASB-UHFFFAOYSA-N;114.19;1.56;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda_SC5";;;;;;;1.64;;0.05;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM419397;MM419397;CC1CC1CCN=CNN;WRJFGTLMSHUYKA-UHFFFAOYSA-N;141.22;0.52;;;;;DOPC;MDCG;27;1;"MARTINI bead: SC5_P3";;;;;;;-0.33;;-4.1;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM419398;MM419398;C=CC=CNC(CN)=NC;ISZAUGCBAVNTJJ-UHFFFAOYSA-N;139.2;0.26;;;;;DOPC;MDCG;27;1;"MARTINI bead: P3_C4";;;;;;;0.23;;-3.53;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM419399;MM419399;C=C(C)C(=O)C=CC1CC1;PXAZYGPSNVHMSV-UHFFFAOYSA-N;136.19;2.1;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_SC5";;;;;;;1.64;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM419400;MM419400;C=Cc1cc(CCN)co1;XHIAZIUJAFFISX-UHFFFAOYSA-N;137.18;1.42;;;;;DOPC;MDCG;27;1;"MARTINI bead: SNd_SC5";;;;;;;1.64;;-2.13;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM419401;MM419401;CC12C=CC(=CC=O)C1C2;SKQTYLTVMALMIN-UHFFFAOYSA-N;134.18;1.71;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC4_SNa";;;;;;;2.2;;0.34;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM419402;MM419402;CC#CC(C)C(=NC)NC;MYQXGBMFINWXJU-UHFFFAOYSA-N;138.21;0.89;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1_C3";;;;;;;1.74;;-2.51;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM419403;MM419403;C=CC=CN=C(CO)NC;ZXYQVDUUEFFGKA-UHFFFAOYSA-N;140.19;0.3;;;;;DOPC;MDCG;27;1;"MARTINI bead: P5_C4";;;;;;;0.22;;-5.2;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM419404;MM419404;CC=NNCCC1CC1C;IEHRFOHEFCPJBM-UHFFFAOYSA-N;140.23;1.63;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nd_SC5";;;;;;;1.64;;0.02;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM419405;MM419405;C=C(C)C(=C)C=CC1CO1;JOSSQWYTAOUQNI-UHFFFAOYSA-N;136.19;2.07;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1_SNa";;;;;;;2.91;;0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM419406;MM419406;CCCc1coc(C=O)c1;MLNFKFQKOYSGRY-UHFFFAOYSA-N;138.17;2.04;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC3_SNa";;;;;;;2.57;;0.45;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM419407;MM419407;CC#CC(C)C(=NO)NO;KINVYMCXYRUUIF-UHFFFAOYSA-N;142.16;0.41;;;;;DOPC;MDCG;27;0;"MARTINI bead: C3_P4";;;;;;;0.52;;-1.59;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM419408;MM419408;CC12C=CC(=CC#N)C1C2;JAUOHNJTHHLGPH-UHFFFAOYSA-N;131.18;2.03;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC4_SC5";;;;;;;2.97;;0.45;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM419409;MM419409;CC=NNCCC1CC1N;MSZGEDZGYXCGRM-UHFFFAOYSA-N;141.22;0.32;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_SNd";;;;;;;0.87;;-4.76;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM419410;MM419410;N#CC=CNC(CO)=NO;YZTAUQDMLCEALM-UHFFFAOYSA-N;141.13;-0.61;;;;;DOPC;MDCG;27;0;"MARTINI bead: P3_N0";;;;;;;-0.8;;-2.99;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM419411;MM419411;C=C(C)C(=O)C=CC1CO1;PFLPWERWHFCHHT-UHFFFAOYSA-N;138.17;1.09;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_SNa";;;;;;;0.87;;-2.22;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM419412;MM419412;CC#CC(C)C(=CC)OC;FBDHCRNFNUEFRN-UHFFFAOYSA-N;138.21;2.2;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_C3";;;;;;;3.34;;0.48;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM419413;MM419413;CCCc1coc(C#N)c1;MDLLXWKQTGWMFA-UHFFFAOYSA-N;135.17;2.1;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC3_SN0";;;;;;;2.87;;0.37;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM419414;MM419414;Cn1oc(=NN)c(F)c1N;CTEMVANDLPICEW-UHFFFAOYSA-N;146.13;-0.89;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP2_SNda";;;;;;;-0.24;;-3.31;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM419415;MM419415;C#CC1CCC(O)C1C;ZXGBJNCQJJHCSL-UHFFFAOYSA-N;124.18;1.03;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNda_SC4";;;;;;;2.2;;0.49;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM419416;MM419416;CC=CCNCC1CC1C;RAEJDLBQOLPPGT-UHFFFAOYSA-N;139.24;1.81;;;;;DOPC;MDCG;27;1;"MARTINI bead: C5_SC5";;;;;;;2.41;;-0.26;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM419417;MM419417;C=C(C)C(=O)C=CN1CC1;STZRLBNDDYPDNX-UHFFFAOYSA-N;137.18;0.96;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_SP1";;;;;;;0.04;;-2.54;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM419418;MM419418;CNc1nn(C)cnc1=N;CEGLXEUQVNSMRT-UHFFFAOYSA-N;139.16;-0.66;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_SP3";;;;;;;-2.2;;-5.19;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM419419;MM419419;CC#CC(O)C(=CC)OC;NQWBOXUHWZWKDO-UHFFFAOYSA-N;140.18;0.92;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_Nda";;;;;;;1.64;;0.05;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM419420;MM419420;C=Cc1cc(CNC)co1;UYWFLJXAIPNYDC-UHFFFAOYSA-N;137.18;1.64;;;;;DOPC;MDCG;27;1;"MARTINI bead: SNd_SC5";;;;;;;1.64;;-1.12;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM419421;MM419421;CCC=NNC(=N)OCC;ANSXTPZWVKZUDT-UHFFFAOYSA-N;143.19;0.94;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda_Nd";;;;;;;0.87;;-1.92;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM419422;MM419422;CC1NC1C(=O)C=CN;BIQBQLYSZHBQQS-UHFFFAOYSA-N;126.16;-0.61;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP1_P2";;;;;;;-1.06;;-3.82;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM419423;MM419423;CCC(=O)C(C)=NN=CN;ZYAMVGGWVAVXPQ-UHFFFAOYSA-N;141.17;0.33;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_Nd";;;;;;;0.87;;-1.88;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM419424;MM419424;NN=c1on(N)cnc1=O;MDVWVLNDGVDICI-UHFFFAOYSA-N;143.11;-2.68;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP3_SP2";;;;;;;-2.2;;-5.19;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM419425;MM419425;CC#CC(O)C(=CF)OC;KOZHJQSRLDPKCY-UHFFFAOYSA-N;144.15;0.83;;;;;DOPC;MDCG;27;0;"MARTINI bead: N0_Nda";;;;;;;1.17;;-1.13;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM419426;MM419426;CNCc1coc(C#N)c1;KQAMEKQOCHHUNZ-UHFFFAOYSA-N;136.15;0.87;;;;;DOPC;MDCG;27;1;"MARTINI bead: SNd_SN0";;;;;;;1.17;;-2.08;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM419427;MM419427;CC=CCOCC1CC1C;KBZBKRXADFHLNK-UHFFFAOYSA-N;140.23;2.24;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_SC5";;;;;;;1.64;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM419428;MM419428;N=CNC=NC(CO)=NN;FKMIZOAHZNZNNT-UHFFFAOYSA-N;143.15;-1.52;;;;;DOPC;MDCG;27;1;"MARTINI bead: P2_P4";;;;;;;-2.29;;-7.22;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM419429;MM419429;C=C(C=NN1CC1)C(=N)N;GNIVULYQHSVHOJ-UHFFFAOYSA-N;138.17;-0.22;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1_SP3";;;;;;;-1.93;;-8.17;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM419430;MM419430;C=CC=C1C=CC2(F)CC12;LOYXWRWBMUFYJC-UHFFFAOYSA-N;136.17;2.4;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC5_SC4";;;;;;;2.97;;0.45;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM419431;MM419431;C=Cc1cc(NCC)co1;BVBSCEGUNFKLPI-UHFFFAOYSA-N;137.18;2.35;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC5_SC5";;;;;;;2.41;;0.64;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM419432;MM419432;CC#CC(F)C(=CF)OC;LRFNMMITRGVMKV-UHFFFAOYSA-N;146.14;1.81;;;;;DOPC;MDCG;27;0;"MARTINI bead: N0_C5";;;;;;;1.94;;0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM419433;MM419433;CC=CCOCC1CC1N;MCUPNQKOLKYHFP-UHFFFAOYSA-N;141.21;0.93;;;;;DOPC;MDCG;27;1;"MARTINI bead: C4_SP1";;;;;;;1.37;;-2.51;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM419434;MM419434;CN=C(CF)N=CNC=O;FQXJEOYDTKOUIA-UHFFFAOYSA-N;145.14;-0.24;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_P2";;;;;;;-0.24;;-3.24;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM419435;MM419435;CN(N)C(=N)C#CC1CC1;RIPMIWHHCJLWMO-UHFFFAOYSA-N;137.19;0.18;;;;;DOPC;MDCG;27;1;"MARTINI bead: P2_SC5";;;;;;;0.54;;-2.49;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM419436;MM419436;O=CC=C1C=CC2(F)CC12;KPSQVKPXDINDDE-UHFFFAOYSA-N;138.14;1.41;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC5_SNa";;;;;;;1.64;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM419437;MM419437;CCNc1coc(C=O)c1;IVEOACPVQZAMPJ-UHFFFAOYSA-N;139.15;1.52;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC5_SNa";;;;;;;1.64;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM419438;MM419438;CC1CC1CC(C)(C)O;KCAGJAWRVYHDJD-UHFFFAOYSA-N;128.22;1.8;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC5_Nda";;;;;;;1.64;;0.05;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM419439;MM419439;CC=CCCNC1CC1C;LEDXXFBPSQDJQO-UHFFFAOYSA-N;139.24;1.95;;;;;DOPC;MDCG;27;1;"MARTINI bead: C1_SNd";;;;;;;2.91;;-0.67;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM419440;MM419440;N=CNC=NC(CF)=NN;FGWJLTXARGWXRX-UHFFFAOYSA-N;145.14;-0.55;;;;;DOPC;MDCG;27;1;"MARTINI bead: Na_P3";;;;;;;-1.1;;-5.47;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM419441;MM419441;CN(N)C(=O)C#CC1CC1;ULWMXBAEGXNFJA-UHFFFAOYSA-N;138.17;-0.27;;;;;DOPC;MDCG;27;0;"MARTINI bead: P3_SC5";;;;;;;-0.33;;-2.01;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM419442;MM419442;N#CC=C1C=CC2(F)CC12;ZTVSIRPHVNWEFL-UHFFFAOYSA-N;135.14;1.73;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC5_SC5";;;;;;;2.41;;0.64;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM419443;MM419443;CCNc1coc(C#N)c1;IZJOEACLIHECGR-UHFFFAOYSA-N;136.15;1.58;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC5_SN0";;;;;;;1.94;;0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM419444;MM419444;N#CC1=NC(=CO)C=N1;BXYJBIUPBSWJMY-UHFFFAOYSA-N;121.1;0.39;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNda_SP1";;;;;;;0.04;;-7.56;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM419445;MM419445;CC1NC1CCN=CNN;YCCXSVNCSCGFKI-UHFFFAOYSA-N;142.21;-0.77;;;;;DOPC;MDCG;27;1;"MARTINI bead: SP1_P3";;;;;;;-1.93;;-6.79;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM419446;MM419446;NN=C(CF)N=CNC=O;KHXUEJIRINJTME-UHFFFAOYSA-N;146.13;-1;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_P5";;;;;;;-1.11;;-5.49;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM419447;MM419447;CN(O)C(=O)C#CC1CN1;QAYFGUGPZFJHEM-UHFFFAOYSA-N;140.14;-1.19;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_SP1";;;;;;;-1.06;;-3.82;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM419448;MM419448;C#CC=C1C=CC2(C)CC12;JNTSLGRNYGGBAT-UHFFFAOYSA-N;130.19;2.14;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC4_SC4";;;;;;;3.53;;0.53;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM419449;MM419449;CCOc1coc(C=O)c1;QRQYZIAIHUEVJC-UHFFFAOYSA-N;140.14;1.49;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC5_SNa";;;;;;;1.64;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM419450;MM419450;C=C1CC2(O)CC1(C)C2;UJJSRAGAUNWTEH-UHFFFAOYSA-N;124.18;1.48;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC3_SNda";;;;;;;2.57;;0.44;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM419451;MM419451;CC=CCNCC1NC1C;PFJLINMOHNLBKD-UHFFFAOYSA-N;140.23;0.51;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_SP1";;;;;;;0.04;;-4.15;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM419452;MM419452;N#CCC(CCO)C(=O)O;QMPCSDKDEZKMEU-UHFFFAOYSA-N;143.14;-0.02;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_P1";;;;;;;-0.79;;-7.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM419453;MM419453;CC(C)=C(C)CCC1CO1;HTIZNHOJQGZYJB-UHFFFAOYSA-N;140.23;2.52;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1_SNa";;;;;;;2.91;;0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM419454;MM419454;C#CC=C1C=CC2(N)CC12;SQLSZTQVITXIHQ-UHFFFAOYSA-N;131.18;0.83;;;;;DOPC;MDCG;27;1;"MARTINI bead: SNd_SC4";;;;;;;2.2;;-1.69;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM419455;MM419455;CCOc1coc(C#N)c1;QOLUNMLVRMDKLG-UHFFFAOYSA-N;137.14;1.55;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC5_SN0";;;;;;;1.94;;0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM419456;MM419456;C=CC(=CC)C(C)C#CC;UKWDKMILIZQRQB-UHFFFAOYSA-N;134.22;2.78;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1_C3";;;;;;;4.61;;0.31;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM419457;MM419457;CC=CCCCC1OC1C;NMAHNRMZEJJDIH-UHFFFAOYSA-N;140.23;2.52;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1_SNa";;;;;;;2.91;;0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM419458;MM419458;C=CC1CN1C(C)C=O;PXASOUOYQNEICC-UHFFFAOYSA-N;125.17;0.44;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_SP1";;;;;;;0.04;;-2.54;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM419459;MM419459;Cc1noc(=O)c(=NN)o1;WAFZLWAUPSGISM-UHFFFAOYSA-N;143.1;-1.29;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP1_SP2";;;;;;;-1.06;;-3.82;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM419460;MM419460;CC(F)=C(F)CCN1CC1;GMLQHLZWZXCQEP-UHFFFAOYSA-N;147.17;1.86;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4_SP1";;;;;;;1.37;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM419461;MM419461;C=C(C=COC=NN)CF;LDHRGMFJNLJCJX-UHFFFAOYSA-N;144.15;0.94;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_C4";;;;;;;1.37;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM419462;MM419462;CC#CC(C)C(C=O)=CC;OIGGNBQBUKSNHB-UHFFFAOYSA-N;136.19;1.79;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_C3";;;;;;;2.57;;0.45;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM419463;MM419463;CN=C(NC)NC=CC=O;DZDLDBLFRGQRKH-UHFFFAOYSA-N;141.17;-0.51;;;;;DOPC;MDCG;27;1;"MARTINI bead: P2_Na";;;;;;;-0.24;;-7.31;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM419464;MM419464;CC1OC1CCCC=CF;PGJPUKADHXIZCQ-UHFFFAOYSA-N;144.19;2.43;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNa_C3";;;;;;;2.57;;0.45;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM419465;MM419465;C#CCC1(C)CC1C1CO1;NVVOFIBGISGHHY-UHFFFAOYSA-N;136.19;1.43;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC4_SNa";;;;;;;2.2;;0.34;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM419466;MM419466;C#CC=C1C=CC2(F)CC12;LZVOJKOJJXZOBE-UHFFFAOYSA-N;134.15;1.84;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC5_SC4";;;;;;;2.97;;0.45;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM419467;MM419467;C=Cc1cc(CCN)n[nH]1;IBURNMZNHYXEIN-UHFFFAOYSA-N;137.19;0.55;;;;;DOPC;MDCG;27;1;"MARTINI bead: SP1_SNd";;;;;;;0.04;;-4.78;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM419468;MM419468;CC#CC(C)C(C#N)=CC;NYIXKKLIBJXPGP-UHFFFAOYSA-N;133.19;2.12;;;;;DOPC;MDCG;27;0;"MARTINI bead: N0_C3";;;;;;;2.87;;0.37;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM419469;MM419469;C=CC=CNC(=NN)NC;ITNPGZUSMTYHME-UHFFFAOYSA-N;140.19;-0.28;;;;;DOPC;MDCG;27;1;"MARTINI bead: P3_C4";;;;;;;0.23;;-4.1;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM419470;MM419470;CCC=CCCC1CC1C;HAEUYXKLPPPFIM-UHFFFAOYSA-N;138.25;3.39;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1_SC5";;;;;;;3.68;;0.46;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM419471;MM419471;CCC1CC1C1(C)CC1C;QZRNORRNCAMQKN-UHFFFAOYSA-N;138.25;3.08;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC3_SC5";;;;;;;3.34;;0.48;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM419472;MM419472;C=C1CN2C(C)C1(C)C2C;LJHFMQFXZOYRPI-UHFFFAOYSA-N;137.23;1.66;;;;;DOPC;MDCG;27;1;"MARTINI bead: SNd_SP1";;;;;;;0.04;;-4.01;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM419473;MM419473;CC#CC(C)C(C#N)=CN;WNZPVOSRLXBIFU-UHFFFAOYSA-N;134.18;1.01;;;;;DOPC;MDCG;27;0;"MARTINI bead: C3_P1";;;;;;;1.74;;0.29;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM419474;MM419474;O=C(O)c1noc(=NO)o1;USLWRCCOCHVDCU-UHFFFAOYSA-N;146.06;-0.74;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP2_P1";;;;;;;-1.06;;-8.79;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM419475;MM419475;C=CC=CNC(=NC)NO;XUMVZWITRGKBJL-UHFFFAOYSA-N;141.17;0.24;;;;;DOPC;MDCG;27;1;"MARTINI bead: P3_C4";;;;;;;0.23;;-3.45;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM419476;MM419476;CC1CC1CCC=CCN;OGWHTOCVMPCLLZ-UHFFFAOYSA-N;139.24;1.94;;;;;DOPC;MDCG;27;1;"MARTINI bead: SC5_Nd";;;;;;;1.64;;-2.14;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM419477;MM419477;CC1CC1(C)C1CC1CN;UBRLQYQFADHEPZ-UHFFFAOYSA-N;139.24;1.63;;;;;DOPC;MDCG;27;1;"MARTINI bead: SC5_SNd";;;;;;;1.64;;-2.7;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM419478;MM419478;CCC1CC2CC2(C)C1N;VGPJXOQTTQCGGC-UHFFFAOYSA-N;139.24;1.77;;;;;DOPC;MDCG;27;1;"MARTINI bead: SC1_SNd";;;;;;;2.91;;-0.59;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM419479;MM419479;CC#CC(C)C(C#N)=CF;ZVWHJIDQMHMVFG-UHFFFAOYSA-N;137.16;2.02;;;;;DOPC;MDCG;27;0;"MARTINI bead: C3_Na";;;;;;;2.57;;0.45;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM419480;MM419480;CCCc1cc(C#N)[nH]n1;AJMSFMDWTFJLKD-UHFFFAOYSA-N;135.17;1.23;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC5_SNd";;;;;;;1.64;;0.03;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM419481;MM419481;CN=C(NO)NC=CC=O;NCJXTLSGGVAFBP-UHFFFAOYSA-N;143.15;-0.75;;;;;DOPC;MDCG;27;1;"MARTINI bead: P3_Na";;;;;;;-1.1;;-6.19;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM419482;MM419482;CCC=CCCC1CC1N;CHAVKNPLVHTFMJ-UHFFFAOYSA-N;139.24;2.08;;;;;DOPC;MDCG;27;1;"MARTINI bead: C1_SNd";;;;;;;2.91;;-0.42;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM419483;MM419483;CCC1CC1C1(C)CC1N;LGVGSSBHEYRTLE-UHFFFAOYSA-N;139.24;1.77;;;;;DOPC;MDCG;27;1;"MARTINI bead: SC3_SNd";;;;;;;2.57;;-1.04;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM419484;MM419484;CCC1CC2CC2(F)C1C;JPXYAOJRTSUABP-UHFFFAOYSA-N;142.22;2.78;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC1_SC4";;;;;;;4.24;;0.42;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM419485;MM419485;C=CC(=CC)C(N)C#CC;WFJOPCJKNKJQKQ-UHFFFAOYSA-N;135.21;1.47;;;;;DOPC;MDCG;27;1;"MARTINI bead: C1_Nd";;;;;;;2.91;;0.51;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM419486;MM419486;C=Cc1cc(CCC)no1;MUQFRHFOSHFTNM-UHFFFAOYSA-N;137.18;2.27;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC5_SN0";;;;;;;1.94;;0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM419487;MM419487;C#CC1CC1C(O)CC;PUPHAVSZKPSUPT-UHFFFAOYSA-N;124.18;1.03;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda_SC5";;;;;;;1.64;;0.05;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM419488;MM419488;C=CC(=O)CNN=CCC;VOBUASWFNCWSCI-UHFFFAOYSA-N;140.19;0.73;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nd_Na";;;;;;;0.87;;-1.88;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM419489;MM419489;OCC=CCCC1CC1O;WJTWNZRAGZGORV-UHFFFAOYSA-N;142.2;0.7;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda_SNda";;;;;;;0.87;;-2.07;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM419490;MM419490;CC1C(CN)CC2CC21F;JURCFNORWUZIPY-UHFFFAOYSA-N;143.21;1.33;;;;;DOPC;MDCG;27;1;"MARTINI bead: SC5_SC4";;;;;;;2.97;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM419491;MM419491;C=CC(=CC)C(O)C#CC;JHKLAUKYSXHNBI-UHFFFAOYSA-N;136.19;1.5;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1_Nda";;;;;;;2.91;;0.57;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM419492;MM419492;CCCc1cc(C=O)on1;MKILMDSEYGRIAZ-UHFFFAOYSA-N;139.15;1.44;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC5_SNa";;;;;;;1.64;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM419493;MM419493;C=C(C=O)C1NC1C=O;QBIAEZGZDAHGKG-UHFFFAOYSA-N;125.13;-0.72;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_SP2";;;;;;;-0.24;;-3.24;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM419494;MM419494;CNN=CCCC1CC1N;NEFUCOPMUIATNC-UHFFFAOYSA-N;141.22;0.32;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_SNd";;;;;;;0.87;;-4.76;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM419495;MM419495;C#CCC(C=C)C(O)CC;GOJPHFBCPMGSNB-UHFFFAOYSA-N;138.21;1.58;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda_C3";;;;;;;2.57;;0.44;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM419496;MM419496;C=CC(=CF)C(O)C#CC;YBXDEGBFWBJYIA-UHFFFAOYSA-N;140.16;1.41;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda_C4";;;;;;;2.2;;0.49;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM419497;MM419497;CCCc1cc(C#N)on1;YYVIHJTVYABABV-UHFFFAOYSA-N;136.15;1.5;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC5_SN0";;;;;;;1.94;;0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM419498;MM419498;CCC1NC2CC2(O)C1C;KHQLMJCEHHATFY-UHFFFAOYSA-N;141.21;0.51;;;;;DOPC;MDCG;27;1;"MARTINI bead: SNd_SP1";;;;;;;0.04;;-5.7;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM419499;MM419499;CN=C(N=CNC=N)NC;WTRINTCTAHLQSL-UHFFFAOYSA-N;141.18;-0.58;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_P3";;;;;;;-1.1;;-8.32;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM419500;MM419500;CCN=CNCC1CC1C;SKXXAEPYXULXJA-UHFFFAOYSA-N;140.23;1.28;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_SC5";;;;;;;1.64;;-3.43;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM419501;MM419501;CCC1CC1C1(C)CC1F;YDMJELQKOOYXSY-UHFFFAOYSA-N;142.22;2.78;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC3_SNa";;;;;;;2.57;;0.45;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM419502;MM419502;CC#CC(O)C(C=O)=CC;UOVXTDJSXMAJPW-UHFFFAOYSA-N;138.17;0.52;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_Nda";;;;;;;0.87;;-1.99;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM419503;MM419503;C=Cc1nc(CCC)co1;AGBHJEGLXQJVNE-UHFFFAOYSA-N;137.18;2.27;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC5_SN0";;;;;;;1.94;;0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM419504;MM419504;CC1C(CO)NC2CC21O;ONONATOZAUNJMR-UHFFFAOYSA-N;143.19;-0.91;;;;;DOPC;MDCG;27;1;"MARTINI bead: SP1_SP1";;;;;;;-0.79;;-5.48;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM419505;MM419505;CNC(N=CNC=N)=NN;XUVJHXKDIIAAGN-UHFFFAOYSA-N;142.17;-1.34;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1_P3";;;;;;;-1.93;;-8.05;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM419506;MM419506;CCC1CC1C1(N)CC1C;CJJOZZZIYVPVQI-UHFFFAOYSA-N;139.24;1.77;;;;;DOPC;MDCG;27;1;"MARTINI bead: SC3_SNd";;;;;;;2.57;;-1.66;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM419507;MM419507;C=NNC=NC(C)C#CC;UTLZFQQMXYFJEM-UHFFFAOYSA-N;137.19;0.63;;;;;DOPC;MDCG;27;0;"MARTINI bead: C3_P2";;;;;;;1.46;;-0.15;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM419508;MM419508;CC#CC(O)C(C#N)=CC;HXYIJVKILDLDEF-UHFFFAOYSA-N;135.17;0.84;;;;;DOPC;MDCG;27;0;"MARTINI bead: N0_Nda";;;;;;;1.17;;-1.13;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM419509;MM419509;C=Cc1nc(CCN)co1;NQLDSKLRZVHORN-UHFFFAOYSA-N;138.17;0.82;;;;;DOPC;MDCG;27;1;"MARTINI bead: SP1_SN0";;;;;;;0.34;;-3.58;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM419510;MM419510;CCC1CC2CC2(C)N1C;ORIMMCXRPUUOOK-UHFFFAOYSA-N;139.24;1.88;;;;;DOPC;MDCG;27;1;"MARTINI bead: SN0_SNd";;;;;;;1.17;;-4.15;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM419511;MM419511;CNC(N=CNC=O)=NN;NUYUWEGHORDCJN-UHFFFAOYSA-N;143.15;-1.79;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1_P3";;;;;;;-1.93;;-7.78;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM419512;MM419512;C=NNC=NC(=C)C#CC;VTBQLTQDJDCHGX-UHFFFAOYSA-N;135.17;0.76;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4_P2";;;;;;;1.09;;-0.38;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM419513;MM419513;CC1CC1(N)C1CC1CO;JQXGZCNNKJVRJZ-UHFFFAOYSA-N;141.21;0.35;;;;;DOPC;MDCG;27;1;"MARTINI bead: SNd_SNda";;;;;;;0.87;;-4.57;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM419514;MM419514;CC#CC(O)C(C=O)=CN;IXJSFQAUJZLRFP-UHFFFAOYSA-N;139.15;-0.59;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda_P2";;;;;;;-0.24;;-3.31;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM419515;MM419515;CCCc1coc(C=O)n1;UBARHFQOLFDFKQ-UHFFFAOYSA-N;139.15;1.44;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC5_SP1";;;;;;;0.81;;-0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM419516;MM419516;C=CC1CC2CC2(N)C1C;DJIIHOSNJKUMHV-UHFFFAOYSA-N;137.23;1.55;;;;;DOPC;MDCG;27;1;"MARTINI bead: SC2_SNd";;;;;;;2.83;;-0.88;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM419517;MM419517;CNC(N=CNC=N)=NO;AQQMECUHEQSMJH-UHFFFAOYSA-N;143.15;-0.82;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1_P3";;;;;;;-1.93;;-5.88;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM419518;MM419518;CCC1CC1C1(N)CC1N;NLUYJZVQEYSQPP-UHFFFAOYSA-N;140.23;0.46;;;;;DOPC;MDCG;27;1;"MARTINI bead: SC3_SP3";;;;;;;0.6;;-3.01;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM419519;MM419519;COC=NNCC1CC1N;ZKYZLLDSXYWPGX-UHFFFAOYSA-N;143.19;-0.49;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1_SNd";;;;;;;0.04;;-4.93;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM419520;MM419520;CC#CC(O)C(C=O)=CF;MFDCSTGJMBKIBU-UHFFFAOYSA-N;142.13;0.42;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda_Na";;;;;;;0.87;;-1.99;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM419521;MM419521;CCCc1coc(C#N)n1;HRANZYORLKNZCY-UHFFFAOYSA-N;136.15;1.5;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC5_SN0";;;;;;;1.94;;0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM419522;MM419522;C=CC1NC2CC2(C)C1N;QOERBEYMFHLXPD-UHFFFAOYSA-N;138.21;0.25;;;;;DOPC;MDCG;27;1;"MARTINI bead: SNd_SNd";;;;;;;0.87;;-4.57;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM419523;MM419523;CN=C(N=CNC=N)NN;XUVJHXKDIIAAGN-UHFFFAOYSA-N;142.17;-1.34;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1_P3";;;;;;;-1.93;;-8.45;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM419524;MM419524;NCC1CC1C1(N)CC1N;ZLPRQHYXBXWUHC-UHFFFAOYSA-N;141.22;-0.99;;;;;DOPC;MDCG;27;1;"MARTINI bead: SNd_SP3";;;;;;;-1.1;;-6.79;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM419525;MM419525;CCC=COCC1CC1C;BDHBZTKQOGCYKH-UHFFFAOYSA-N;140.23;2.58;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_SC5";;;;;;;2.41;;0.64;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM419526;MM419526;CC#CC(O)C(C#N)=CF;DWOJFLYDRYUNEU-UHFFFAOYSA-N;139.13;0.75;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda_Na";;;;;;;0.87;;-1.99;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM419527;MM419527;C=C(C=COC=NN)OC;HGBSIBOZAGHQSV-UHFFFAOYSA-N;142.16;0.58;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_P1";;;;;;;0.81;;-0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM419528;MM419528;C=CC1NC2CC2(O)C1C;CINZUULPPRZINH-UHFFFAOYSA-N;139.2;0.28;;;;;DOPC;MDCG;27;1;"MARTINI bead: SNd_SP1";;;;;;;0.04;;-4.89;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM419529;MM419529;N=CNC=NC(=NN)NN;JDLQQPNJTUUFNC-UHFFFAOYSA-N;143.15;-2.1;;;;;DOPC;MDCG;27;1;"MARTINI bead: P2_P3";;;;;;;-2.2;;-7.28;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM419530;MM419530;CC1CC1CON=CCN;RTWKZPKHRCTXMZ-UHFFFAOYSA-N;142.2;0.6;;;;;DOPC;MDCG;27;1;"MARTINI bead: SC5_P2";;;;;;;0.54;;-2.49;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM419531;MM419531;NC1CC1(N)C1CC1CO;CWPDBIXEIQKBDL-UHFFFAOYSA-N;142.2;-0.96;;;;;DOPC;MDCG;27;1;"MARTINI bead: SP3_SNda";;;;;;;-1.1;;-6.05;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM419532;MM419532;C=CC(=CC)C(F)C#CC;ANGYOABMTPBWMV-UHFFFAOYSA-N;138.19;2.48;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1_C5";;;;;;;3.68;;0.46;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM419533;MM419533;CCNc1coc(C=O)n1;HVMRWNXZJXXOOK-UHFFFAOYSA-N;140.14;0.92;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNda_SP1";;;;;;;0.04;;-2.73;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM419534;MM419534;COC(=NN)N(C=N)C=O;XSOLQNUFGFXNLA-UHFFFAOYSA-N;144.13;-1.07;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_P4";;;;;;;-2.01;;-5.13;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM419535;MM419535;NN=C(N=CNC=O)NN;ONZAMJPBRUVGQU-UHFFFAOYSA-N;144.14;-2.55;;;;;DOPC;MDCG;27;1;"MARTINI bead: P2_P3";;;;;;;-2.2;;-6.95;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM419536;MM419536;CC#CC(F)C(C=O)=CC;JBYWBSMIBWQZDT-UHFFFAOYSA-N;140.16;1.49;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_C5";;;;;;;1.64;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM419537;MM419537;NCC1CC1C1(N)CC1O;YKYGVFYIYRXSQQ-UHFFFAOYSA-N;142.2;-0.96;;;;;DOPC;MDCG;27;1;"MARTINI bead: SNd_SP2";;;;;;;-0.24;;-6.05;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM419538;MM419538;CC1CC1NCC=CCN;DRIBALSOPAYWGN-UHFFFAOYSA-N;140.23;0.5;;;;;DOPC;MDCG;27;1;"MARTINI bead: SNd_Nd";;;;;;;0.87;;-4.64;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM419539;MM419539;CCNc1coc(C#N)n1;PIPOPDRSNHOWLQ-UHFFFAOYSA-N;137.14;0.98;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNda_SN0";;;;;;;1.17;;-1.13;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM419540;MM419540;CC1N(C=N)CC2CC21C;QNAUZVFGTANMFO-UHFFFAOYSA-N;138.21;1.32;;;;;DOPC;MDCG;27;1;"MARTINI bead: SNd_SN0";;;;;;;1.17;;-4.87;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM419541;MM419541;N=CNC=NC(=NO)NN;NLCCULPGVLWPKT-UHFFFAOYSA-N;144.14;-1.58;;;;;DOPC;MDCG;27;1;"MARTINI bead: P2_P3";;;;;;;-2.2;;-6.3;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM419542;MM419542;NCC1CC1C1(N)CC1F;NFJOIYDGMNATFN-UHFFFAOYSA-N;144.19;0.02;;;;;DOPC;MDCG;27;1;"MARTINI bead: SNd_SP1";;;;;;;0.04;;-5.46;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM419543;MM419543;CC#CC(F)C(C#N)=CC;BPZSIUUMDLYZRO-UHFFFAOYSA-N;137.16;1.82;;;;;DOPC;MDCG;27;0;"MARTINI bead: N0_C5";;;;;;;1.94;;0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM419544;MM419544;CCC=CCNC1CC1O;YFYQSZBBYFDZET-UHFFFAOYSA-N;141.21;0.68;;;;;DOPC;MDCG;27;1;"MARTINI bead: C1_SP2";;;;;;;1.8;;-0.3;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM419545;MM419545;C=Cc1nc(CCC)no1;SKNFDQOJIGPQOC-UHFFFAOYSA-N;138.17;1.67;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNa_SNa";;;;;;;0.87;;-2.22;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM419546;MM419546;CC1N(C=N)CC2CC21N;QKNVMWSAGOICME-UHFFFAOYSA-N;139.2;0.01;;;;;DOPC;MDCG;27;1;"MARTINI bead: SNd_SP2";;;;;;;-0.24;;-6.62;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM419547;MM419547;C#CC(=O)C1CN1C=O;QOKRSEZTFOPSEC-UHFFFAOYSA-N;123.11;-0.97;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP2_P1";;;;;;;-1.06;;-3.82;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM419548;MM419548;CN(C=N)N=C(N)C=O;KFJWCMMVOZNIBX-UHFFFAOYSA-N;128.14;-1;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_P2";;;;;;;-1.34;;-4.31;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM419549;MM419549;CC=CN(C=O)C(C)=NN;XCPMJUDMYVRWBH-UHFFFAOYSA-N;141.17;0.27;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4_P3";;;;;;;0.23;;-1.03;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM419550;MM419550;CCC=CCOC1CC1N;ORRQFSZFLUGZFL-UHFFFAOYSA-N;141.21;1.07;;;;;DOPC;MDCG;27;1;"MARTINI bead: C1_SP2";;;;;;;1.8;;-0.74;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM419551;MM419551;CCCc1noc(C=O)n1;BDIKCEZGUDGNDL-UHFFFAOYSA-N;140.14;0.83;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNa_SP1";;;;;;;0.04;;-2.54;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM419552;MM419552;C=NN1CC2CC2(C)C1C;HXUXWASABIANIW-UHFFFAOYSA-N;138.21;1.33;;;;;DOPC;MDCG;27;0;"MARTINI bead: SN0_SN0";;;;;;;1.47;;-0.05;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM419553;MM419553;C=CC(=NN)C(C)C#CC;HSAKYJBGJJBAFD-UHFFFAOYSA-N;136.2;1.15;;;;;DOPC;MDCG;27;0;"MARTINI bead: C3_Nd";;;;;;;2.57;;0.53;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM419554;MM419554;CN=C(N=CNC=O)NO;MBKXLPVRCKIRPX-UHFFFAOYSA-N;144.13;-1.27;;;;;DOPC;MDCG;27;1;"MARTINI bead: P2_P4";;;;;;;-2.29;;-8.39;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM419555;MM419555;CC1NC1CCC=CCN;VYDLHXDNZYZDSB-UHFFFAOYSA-N;140.23;0.64;;;;;DOPC;MDCG;27;1;"MARTINI bead: SP1_Nd";;;;;;;0.04;;-4.88;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM419556;MM419556;CC1CC1(O)C1CC1CN;JAEHZEMDFPVGGI-UHFFFAOYSA-N;141.21;0.35;;;;;DOPC;MDCG;27;1;"MARTINI bead: SNda_SNd";;;;;;;0.87;;-4.42;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM419557;MM419557;CCCc1noc(C#N)n1;ZFEBNALIIOVWJJ-UHFFFAOYSA-N;137.14;0.89;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNa_SP1";;;;;;;0.04;;-2.54;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM419558;MM419558;C=NN1CC2CC2(N)C1C;XEFXCQSXCJWOKZ-UHFFFAOYSA-N;139.2;0.02;;;;;DOPC;MDCG;27;1;"MARTINI bead: SN0_SP2";;;;;;;0.06;;-3.95;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM419559;MM419559;NN(CCO)C(=O)C(=O)O;INGAUWQMHHOBGM-UHFFFAOYSA-N;148.12;-2.23;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_P2";;;;;;;-1.06;;-8.54;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM419560;MM419560;N=CNC=NC(=NN)NO;NLCCULPGVLWPKT-UHFFFAOYSA-N;144.14;-1.58;;;;;DOPC;MDCG;27;1;"MARTINI bead: P2_P3";;;;;;;-2.2;;-6.5;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM419561;MM419561;CC1NC1COC=CCN;NRJQQSCFMFXJLQ-UHFFFAOYSA-N;142.2;-0.16;;;;;DOPC;MDCG;27;1;"MARTINI bead: SP1_P2";;;;;;;-1.06;;-6;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM419562;MM419562;CC1CC1(O)C1CC1CO;DWCPNRRTUGDELL-UHFFFAOYSA-N;142.2;0.39;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNda_SNda";;;;;;;0.87;;-2.07;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM419563;MM419563;C=CCC1=CCC(C=C)=C1;BTQJBQHEYWEEJJ-UHFFFAOYSA-N;132.21;3.01;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC4_SC4";;;;;;;3.53;;0.53;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM419564;MM419564;CC1N(C=N)NC2CC21C;DGCAKCICGAFRAE-UHFFFAOYSA-N;139.2;0.58;;;;;DOPC;MDCG;27;1;"MARTINI bead: SP2_SP2";;;;;;;-1.34;;-6.44;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM419565;MM419565;CC(O)(C(=O)O)C(=O)NN;INQNBDDTPHPSCK-UHFFFAOYSA-N;148.12;-2.19;;;;;DOPC;MDCG;27;0;"MARTINI bead: P4_P1";;;;;;;-2.01;;-9.03;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM419566;MM419566;N=CNC=NC(=NO)NO;DJCHRMBSBZAMRJ-UHFFFAOYSA-N;145.12;-1.06;;;;;DOPC;MDCG;27;1;"MARTINI bead: P2_P3";;;;;;;-2.2;;-6.27;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM419567;MM419567;CCC1CC1C1(O)CC1N;NIVNKYXJIHKAPS-UHFFFAOYSA-N;141.21;0.49;;;;;DOPC;MDCG;27;1;"MARTINI bead: SC3_SP2";;;;;;;1.46;;-1.99;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM419568;MM419568;CCC=NOCC1NC1C;OWYGQZZEZXKOBJ-UHFFFAOYSA-N;142.2;0.76;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_SP1";;;;;;;0.04;;-2.54;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM419569;MM419569;C=CC1=CC(CC=O)=CC1;RJPAGZATWZVQIJ-UHFFFAOYSA-N;134.18;2.02;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC4_SNa";;;;;;;2.2;;0.34;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM419570;MM419570;CC1N(C=O)NC2CC21C;CAMXGBGQRQUYCR-UHFFFAOYSA-N;140.19;0.13;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP2_SP2";;;;;;;-1.34;;-4.31;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM419571;MM419571;CCC1CC(O)(CC)C1;DUAHGASSIFWAHG-UHFFFAOYSA-N;128.22;1.95;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC2_SNda";;;;;;;2.83;;0.57;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM419572;MM419572;O=CNC=NC(=NO)NO;HQQLNFPSMGNZFS-UHFFFAOYSA-N;146.11;-1.52;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_P3";;;;;;;-2.2;;-5.19;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM419573;MM419573;CCC1CC1C1(O)CC1O;XCMOILMQGVOWPA-UHFFFAOYSA-N;142.2;0.53;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC3_SP2";;;;;;;1.46;;-0.15;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM419574;MM419574;CCC=NOCC1OC1C;TXYZWAWIFIGVPD-UHFFFAOYSA-N;143.19;1.19;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_SNa";;;;;;;0.87;;-2.22;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM419575;MM419575;C=CC1=CC(CC#N)=CC1;IXINEKDEUBWTNA-UHFFFAOYSA-N;131.18;2.34;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC4_SC5";;;;;;;2.97;;0.45;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM419576;MM419576;CC1N(C=N)CC2NC21C;PXZRYEDNHBYYCU-UHFFFAOYSA-N;139.2;0.03;;;;;DOPC;MDCG;27;1;"MARTINI bead: SNd_SP2";;;;;;;-0.24;;-6.31;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM419577;MM419577;CNNC(=O)C(=O)O;RBVANBMVHSIZFB-UHFFFAOYSA-N;118.09;-1.68;;;;;DOPC;MDCG;27;0;"MARTINI bead: P4_P1";;;;;;;-2.01;;-9.03;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM419578;MM419578;CC(=O)CN(C)CC(C)F;OZOVPOQHIMVCTG-UHFFFAOYSA-N;147.19;0.87;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda_Na";;;;;;;0.87;;-1.99;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM419579;MM419579;CCC1CC1C1(O)CC1F;PZKNOHLZKWOSMV-UHFFFAOYSA-N;144.19;1.51;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC3_SP1";;;;;;;1.74;;0.29;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM419580;MM419580;CCC=NNCC1CN1C;WTVUUAAPXJOBRU-UHFFFAOYSA-N;141.22;0.29;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nd_SNd";;;;;;;0.87;;-2.11;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM419581;MM419581;C=CCC1=CCC(C=O)=C1;GDOAOWIIJSWEQA-UHFFFAOYSA-N;134.18;2.02;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC4_SNa";;;;;;;2.2;;0.34;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM419582;MM419582;C=C1C(CC)CC2CC12C;WSHNXUCSLUIBFG-UHFFFAOYSA-N;136.24;3;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC1_SC4";;;;;;;4.24;;0.42;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM419583;MM419583;C#CC(=CC)C(C)C#CC;PRGZCJPVSWRIIK-UHFFFAOYSA-N;132.21;2.23;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4_C3";;;;;;;3.9;;0.47;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM419584;MM419584;C=NNC=NC(=NO)NO;ZHEVAYGQUVFURR-UHFFFAOYSA-N;145.12;-1.06;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_P1";;;;;;;-1.06;;-3.82;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM419585;MM419585;NCC1CC1C1(F)CC1N;FLBOHKQHAFEVTN-UHFFFAOYSA-N;144.19;0.02;;;;;DOPC;MDCG;27;1;"MARTINI bead: SNd_SP1";;;;;;;0.04;;-5.44;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM419586;MM419586;C=CC=CCCC1CC1C;LABJLAFKUDWETN-UHFFFAOYSA-N;136.24;3.16;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC5_C1";;;;;;;3.68;;0.46;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM419587;MM419587;C=CCC1=CCC(C#N)=C1;IFCGYXVGFYZLHG-UHFFFAOYSA-N;131.18;2.34;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC4_SN0";;;;;;;2.5;;0.44;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM419588;MM419588;C=C1C(CN)CC2CC12C;YMOAPRAFBRVMLT-UHFFFAOYSA-N;137.23;1.55;;;;;DOPC;MDCG;27;1;"MARTINI bead: SC4_SC5";;;;;;;2.97;;-0.03;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM419589;MM419589;C#CC(=CF)C(C)C#CC;SCMNBHPTCCBUJK-UHFFFAOYSA-N;136.17;2.13;;;;;DOPC;MDCG;27;0;"MARTINI bead: C3_C5";;;;;;;3.34;;0.48;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM419590;MM419590;CC=C(N=CNC=O)OC;HZFFYCUVQWDECJ-UHFFFAOYSA-N;142.16;0.27;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4_P3";;;;;;;0.23;;-1.03;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM419591;MM419591;OCC1CC1C1(F)CC1O;RDBWYIBAUODSJL-UHFFFAOYSA-N;146.16;0.09;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNda_SP1";;;;;;;0.04;;-2.73;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM419592;MM419592;CC1CC1CCC=CC=O;XNWVLLWRUFRWIE-UHFFFAOYSA-N;138.21;2.18;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC5_Na";;;;;;;1.64;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM419593;MM419593;O=CCC1=CCC(C=O)=C1;VCLNZHWLTTYZFK-UHFFFAOYSA-N;136.15;1.03;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNa_SNa";;;;;;;0.87;;-2.22;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM419594;MM419594;C=C1C(CC)CC2CC12N;UGNRZTKUXXOKOB-UHFFFAOYSA-N;137.23;1.69;;;;;DOPC;MDCG;27;1;"MARTINI bead: SC1_SNd";;;;;;;2.91;;-0.18;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM419595;MM419595;C#CC(=CC)C(O)C#CC;RSKUYZAYGLNWPF-UHFFFAOYSA-N;134.18;0.95;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4_Nda";;;;;;;2.2;;0.49;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM419596;MM419596;COC(=CF)N=CNC=O;KZLSHIZAJSQMEQ-UHFFFAOYSA-N;146.12;0.18;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_P3";;;;;;;-0.33;;-2.01;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM419597;MM419597;CNC1CC1C1(C)CC1N;HFUNBZJKHLOJIN-UHFFFAOYSA-N;140.23;0.33;;;;;DOPC;MDCG;27;1;"MARTINI bead: SNd_SNd";;;;;;;0.87;;-5.03;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM419598;MM419598;N#CCC1=CCC(C=O)=C1;DLDWBDRKLLFQHR-UHFFFAOYSA-N;133.15;1.36;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNa_SC5";;;;;;;1.64;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM419599;MM419599;CC1CC1CCC=CC#N;CRARBAPYNDDBEX-UHFFFAOYSA-N;135.21;2.5;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC5_N0";;;;;;;1.94;;0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM419600;MM419600;C=NNC1CC1(C#N)CC;IWISNCHMWYZVEL-UHFFFAOYSA-N;137.19;0.88;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC5_P2";;;;;;;0.54;;-1.09;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM419601;MM419601;C#CC(=CF)C(O)C#CC;CYQQGPXRIZIFSK-UHFFFAOYSA-N;138.14;0.86;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda_C5";;;;;;;1.64;;0.05;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM419602;MM419602;N#CCNN=CC(F)(F)F;PLFVJWLBAPYNRN-UHFFFAOYSA-N;151.09;0.65;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_P1";;;;;;;0.81;;-0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM419603;MM419603;CNC1CC1C1(C)CC1O;CSIDZASJVGCCLM-UHFFFAOYSA-N;141.21;0.37;;;;;DOPC;MDCG;27;1;"MARTINI bead: SNd_SNda";;;;;;;0.87;;-4.4;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM419604;MM419604;C=CC=CCCC1CC1N;MVJJWNHCAXYLNC-UHFFFAOYSA-N;137.23;1.86;;;;;DOPC;MDCG;27;1;"MARTINI bead: SNd_C1";;;;;;;2.91;;-0.42;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM419605;MM419605;N#CC1=CC(CC=O)=CC1;GGTMEOBPSXCSBH-UHFFFAOYSA-N;133.15;1.36;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNa_SN0";;;;;;;1.17;;-1.18;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM419606;MM419606;C=C1C(CN)CC2CC12O;JSPCGSLGKCQQKS-UHFFFAOYSA-N;139.2;0.27;;;;;DOPC;MDCG;27;1;"MARTINI bead: SC5_SNda";;;;;;;1.64;;-2.34;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM419607;MM419607;CCC=NN(C)CC(C)=O;RALAQPJBGGNMRO-UHFFFAOYSA-N;142.2;0.9;;;;;DOPC;MDCG;27;0;"MARTINI bead: N0_P1";;;;;;;0.34;;-1.53;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM419608;MM419608;C#CC(=CC)C(F)C#CC;MDJNPOQYPWBXOY-UHFFFAOYSA-N;136.17;1.93;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4_C5";;;;;;;2.97;;0.45;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM419609;MM419609;CNC1CC1C1(C)CC1F;JZNNJZHJLCYFOV-UHFFFAOYSA-N;143.21;1.34;;;;;DOPC;MDCG;27;1;"MARTINI bead: SNd_SNa";;;;;;;0.87;;-4.66;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM419610;MM419610;C=NN=CCCC1CC1C;BDMZHUBHBJUHJM-UHFFFAOYSA-N;138.21;2.11;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC5_C5";;;;;;;2.41;;0.64;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM419611;MM419611;N#CCC1=CCC(C#N)=C1;BZGNTEZUJDNXMN-UHFFFAOYSA-N;130.15;1.68;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC5_SN0";;;;;;;1.94;;0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM419612;MM419612;C=C1C(CC)CC2CC12F;SRLPGPZXDJOYGV-UHFFFAOYSA-N;140.2;2.7;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC1_SC4";;;;;;;4.24;;0.42;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM419613;MM419613;C#CC(=CF)C(F)C#CC;SHGCQAGPIWYFHS-UHFFFAOYSA-N;140.13;1.83;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_C5";;;;;;;2.41;;0.64;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM419614;MM419614;CN=C(N=CNC=O)OC;MHQCUXRZXVYBSU-UHFFFAOYSA-N;143.15;-0.61;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_P3";;;;;;;-1.1;;-4.2;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM419615;MM419615;CC1CC1CNC=CC#N;PYBOLAUYRILOJU-UHFFFAOYSA-N;136.2;1.27;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC5_P1";;;;;;;0.81;;-0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM419616;MM419616;CNC1CC1C1(N)CC1N;MNYARBRDFGPYRH-UHFFFAOYSA-N;141.22;-0.98;;;;;DOPC;MDCG;27;1;"MARTINI bead: SNd_SP3";;;;;;;-1.1;;-6.48;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM419617;MM419617;C=CC1=CC(NC=N)=CC1;OMWBOYQDYXJCMD-UHFFFAOYSA-N;134.18;1.58;;;;;DOPC;MDCG;27;1;"MARTINI bead: SC4_SNd";;;;;;;2.2;;-2.7;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM419618;MM419618;C=C1C(NC)CC2CC12N;SPSTYSVSSBYBFU-UHFFFAOYSA-N;138.21;0.25;;;;;DOPC;MDCG;27;1;"MARTINI bead: SNd_SNd";;;;;;;0.87;;-4.51;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM419619;MM419619;CC(CC#N)NCC=O;QPRBHNVRGRDKMQ-UHFFFAOYSA-N;126.16;0.08;;;;;DOPC;MDCG;27;0;"MARTINI bead: N0_P5";;;;;;;-0.81;;-4.41;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM419620;MM419620;COC(N=CNC=O)=NN;DBQUOUCXXVENQQ-UHFFFAOYSA-N;144.13;-1.36;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda_P3";;;;;;;-1.1;;-3.97;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM419621;MM419621;CNC1CC1C1(N)CC1O;ZIWVZCYXGQALNK-UHFFFAOYSA-N;142.2;-0.94;;;;;DOPC;MDCG;27;1;"MARTINI bead: SNd_SP2";;;;;;;-0.24;;-5.49;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM419622;MM419622;C=C1C(NC)CC2CC12O;BQIWGCQBFKBLKQ-UHFFFAOYSA-N;139.2;0.29;;;;;DOPC;MDCG;27;1;"MARTINI bead: SNd_SNda";;;;;;;0.87;;-3.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM419623;MM419623;O=CC=CNCC1CC1O;RFFXDNHERXLGCZ-UHFFFAOYSA-N;141.17;-0.33;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNda_P2";;;;;;;-0.24;;-3.31;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM419624;MM419624;C=CC1=CC(NC=O)=CC1;PJQDXDOAHOJFHF-UHFFFAOYSA-N;135.17;1.13;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC4_SNda";;;;;;;2.2;;0.49;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM419625;MM419625;O=c1nncc(O)o1;GSBZLKSTDIQVQR-UHFFFAOYSA-N;114.06;-0.86;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP3_SP2";;;;;;;-2.2;;-9.49;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM419626;MM419626;COC(N=CNC=O)=NO;YHNANMWPDSGPBZ-UHFFFAOYSA-N;145.12;-0.85;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_P3";;;;;;;-1.93;;-4.72;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM419627;MM419627;C=CC1CC2CC2(C)C1=C;JUZPTAOXEGPEJZ-UHFFFAOYSA-N;134.22;2.77;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC4_SC2";;;;;;;4.16;;0.44;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM419628;MM419628;CNC1CC1C1(O)CC1C;LYQJVEBORJBLKI-UHFFFAOYSA-N;141.21;0.37;;;;;DOPC;MDCG;27;1;"MARTINI bead: SNd_SNda";;;;;;;0.87;;-4.19;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM419629;MM419629;N=CNC1=CCC(C=O)=C1;CLFDTIFKHBICEX-UHFFFAOYSA-N;136.15;0.6;;;;;DOPC;MDCG;27;1;"MARTINI bead: SNd_SNa";;;;;;;0.87;;-5.03;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM419630;MM419630;C=NOC1CC(C(C)=O)C1;JKODWCMRULBFHO-UHFFFAOYSA-N;141.17;0.99;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNa_SC5";;;;;;;1.64;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM419631;MM419631;C=C(C#CC)C(=CC)CC;DVDSRWQWZNKQDN-UHFFFAOYSA-N;134.22;2.92;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1_C4";;;;;;;4.24;;0.42;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM419632;MM419632;C=NNC=NC(=NO)OC;JJEVAGBYZSPPPQ-UHFFFAOYSA-N;144.13;-0.39;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_P1";;;;;;;-0.79;;-3.13;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM419633;MM419633;C=C1C(C=O)CC2CC12C;GKMJJAXYGLYXGG-UHFFFAOYSA-N;136.19;1.79;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC4_SNa";;;;;;;2.2;;0.34;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM419634;MM419634;CNC1CC1C1(F)CC1N;DHVRXFHJGSAANF-UHFFFAOYSA-N;144.19;0.03;;;;;DOPC;MDCG;27;1;"MARTINI bead: SNd_SP1";;;;;;;0.04;;-5.07;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM419635;MM419635;C=CC=NNCC1CC1C;JUELSFABSLQBKF-UHFFFAOYSA-N;138.21;1.4;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC5_Nd";;;;;;;1.64;;0.02;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM419636;MM419636;N#CC1=CC(NC=N)=CC1;BXVGBPBNXUAADX-UHFFFAOYSA-N;133.15;0.92;;;;;DOPC;MDCG;27;1;"MARTINI bead: SNd_SN0";;;;;;;1.17;;-4.11;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM419637;MM419637;C=C(C#CC)C(=CC)CN;NEIWAWDDSOFYDV-UHFFFAOYSA-N;135.21;1.47;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_C4";;;;;;;2.2;;-1.59;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM419638;MM419638;CCC(=NO)NN=CC#N;NCMMNYFSWWIKJJ-UHFFFAOYSA-N;140.15;0.28;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_P1";;;;;;;0.81;;-0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM419639;MM419639;COC1CC1C1(C)CC1O;UOXTVYONIKXSFO-UHFFFAOYSA-N;142.2;0.79;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNa_SNda";;;;;;;0.87;;-1.99;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM419640;MM419640;C=C1C(C#N)CC2CC12C;CSZRHRVQCHCIPS-UHFFFAOYSA-N;133.19;2.11;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC4_SC5";;;;;;;2.97;;0.45;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM419641;MM419641;O=CNC1=CCC(C=O)=C1;YAYCATGVFXABOY-UHFFFAOYSA-N;137.14;0.15;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNda_SNa";;;;;;;0.87;;-1.99;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM419642;MM419642;C=CC=COCC1CC1C;OYFNOPUZYROWLZ-UHFFFAOYSA-N;138.21;2.36;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC5_C4";;;;;;;2.97;;0.45;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM419643;MM419643;C=C(C#CC)C(=CF)CN;XZYSYDXZCHQCML-UHFFFAOYSA-N;139.17;1.38;;;;;DOPC;MDCG;27;1;"MARTINI bead: C4_P1";;;;;;;1.37;;-2.03;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM419644;MM419644;C=C(C=O)NC=NC(C)=N;ZCTKDVOKIJIKGH-UHFFFAOYSA-N;139.16;0.31;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_Na";;;;;;;-0.24;;-3.24;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM419645;MM419645;COC1CC1C1(C)CC1F;CNMXNIMEBFGWLJ-UHFFFAOYSA-N;144.19;1.77;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNa_SNa";;;;;;;0.87;;-2.22;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM419646;MM419646;C=CC1CC2CC2(N)C1=C;BUVMHYHOKSQXHU-UHFFFAOYSA-N;135.21;1.47;;;;;DOPC;MDCG;27;1;"MARTINI bead: SNd_SC2";;;;;;;2.83;;-0.34;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM419647;MM419647;CC1CC1CON=CC#N;CZIBKTKUVSTINX-UHFFFAOYSA-N;138.17;1.17;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC5_Na";;;;;;;1.64;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM419648;MM419648;N#CC1=CC(NC=O)=CC1;SNSMLJOKHDCWLW-UHFFFAOYSA-N;134.14;0.47;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNda_SN0";;;;;;;1.17;;-1.13;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM419649;MM419649;C=C(C#CC)C(=CC)CO;DWIFWFAUNJSGJW-UHFFFAOYSA-N;136.19;1.5;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda_C4";;;;;;;2.2;;0.49;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM419650;MM419650;C=CC1=CC(=NN=C)CC1;QFPFDFCDNNRHMF-UHFFFAOYSA-N;134.18;1.95;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC3_SC5";;;;;;;3.34;;0.48;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM419651;MM419651;C=CC1(O)CC(=C)CC1=C;PAHYOWXNOAURMH-UHFFFAOYSA-N;136.19;1.81;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC5_SC4";;;;;;;2.97;;0.45;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM419652;MM419652;C=CC=NOCC1CC1F;LWYIDZRCJKVWOJ-UHFFFAOYSA-N;143.16;1.53;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNa_Na";;;;;;;0.87;;-2.22;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM419653;MM419653;COC1CC1C1(N)CC1C;IXUSMDOCDRFPKH-UHFFFAOYSA-N;141.21;0.76;;;;;DOPC;MDCG;27;1;"MARTINI bead: SNa_SNd";;;;;;;0.87;;-4.76;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM419654;MM419654;C=COC1=CCC(C=C)=C1;YHLSVGVFBCLIEO-UHFFFAOYSA-N;134.18;2.55;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC4_SC4";;;;;;;3.53;;0.53;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM419655;MM419655;C=C1C(C#N)CC2CC12O;ZZWBZZWFXYBEDD-UHFFFAOYSA-N;135.17;0.84;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNda_SC5";;;;;;;1.64;;0.05;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM419656;MM419656;C=C(C#CC)C(=CC)CF;DENHIHBEPNZHNV-UHFFFAOYSA-N;138.19;2.48;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4_C4";;;;;;;3.53;;0.53;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM419657;MM419657;C=CC=NNC(=NC)NN;VSNVBQAJHHOATE-UHFFFAOYSA-N;141.18;-0.8;;;;;DOPC;MDCG;27;1;"MARTINI bead: P3_C4";;;;;;;0.23;;-2.58;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM419658;MM419658;CC1CC1ON=CNC=O;RKNPHOUOVSHOOP-UHFFFAOYSA-N;142.16;0.1;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNa_P4";;;;;;;-1.19;;-4.76;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM419659;MM419659;COC1CC1C1(N)CC1N;RLJAREKASUSPQR-UHFFFAOYSA-N;142.2;-0.55;;;;;DOPC;MDCG;27;1;"MARTINI bead: SNa_SP3";;;;;;;-1.1;;-6.4;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM419660;MM419660;C=COC1=CCC(C=O)=C1;FUPPLXLSWIGJGD-UHFFFAOYSA-N;136.15;1.56;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC4_SNa";;;;;;;2.2;;0.34;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM419661;MM419661;COC(=NO)NN=CC=O;BSHBUIAHRPJAPQ-UHFFFAOYSA-N;145.12;-0.85;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_Na";;;;;;;-0.24;;-3.24;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM419662;MM419662;CC#CC(=O)C(=CC)CC;XRHRAXBSYQIRFP-UHFFFAOYSA-N;136.19;1.94;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1_C5";;;;;;;3.68;;0.46;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM419663;MM419663;C=CC1CC2CC2(F)C1=C;AWGJRRPDLDRZHV-UHFFFAOYSA-N;138.19;2.48;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC5_SC2";;;;;;;3.6;;0.34;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM419664;MM419664;COC1CC1C1(N)CC1O;VSUITDHEYKYXGF-UHFFFAOYSA-N;143.19;-0.52;;;;;DOPC;MDCG;27;1;"MARTINI bead: SNa_SP2";;;;;;;-0.24;;-5.44;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM419665;MM419665;Nc1nn(CCF)oc1=O;YRUKLPOTIJNBOG-UHFFFAOYSA-N;147.11;-0.61;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP2_SP2";;;;;;;-1.34;;-4.31;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM419666;MM419666;C=COC1=CCC(C#N)=C1;NLIUEKOBEIIDQK-UHFFFAOYSA-N;133.15;1.88;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC4_SN0";;;;;;;2.5;;0.44;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM419667;MM419667;C=CC=COC(=CC)CC;FMJDOMPKYYZECW-UHFFFAOYSA-N;138.21;3.02;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4_C4";;;;;;;3.53;;0.53;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM419668;MM419668;C=C1C(C=O)CC2CC12F;HIAZAAPCKJCJIS-UHFFFAOYSA-N;140.16;1.49;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC5_SNa";;;;;;;1.64;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM419669;MM419669;CC#CC(=O)C(=CF)CC;SRCHQZCJQQDTDW-UHFFFAOYSA-N;140.16;1.84;;;;;DOPC;MDCG;27;0;"MARTINI bead: C3_C5";;;;;;;3.34;;0.48;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM419670;MM419670;COC1CC1C1(F)CC1O;CAVBAXUMERUGDE-UHFFFAOYSA-N;146.16;0.49;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNa_SP1";;;;;;;0.04;;-2.54;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM419671;MM419671;C=CCc1c[nH]c(C=C)c1;NCFJJXRVVBUKPQ-UHFFFAOYSA-N;133.19;2.39;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC5_SNd";;;;;;;1.64;;0.02;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM419672;MM419672;CC1OC1CNC=CC#N;LCAFBKGQGFKGSC-UHFFFAOYSA-N;138.17;0.4;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNa_P1";;;;;;;0.04;;-2.54;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM419673;MM419673;CC=C(CC)OC=CC=O;VUEPJSRHNQFYTL-UHFFFAOYSA-N;140.18;2.03;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4_Na";;;;;;;2.2;;0.34;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM419674;MM419674;C=C1C(C#N)CC2CC12F;OQUFCRKIFLFZCN-UHFFFAOYSA-N;137.16;1.81;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC5_SC5";;;;;;;2.41;;0.64;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM419675;MM419675;CC#CC(=O)C(=CC)CO;GFBYVHAEDLIKFZ-UHFFFAOYSA-N;138.17;0.52;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda_C5";;;;;;;1.64;;0.05;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM419676;MM419676;CC1CC1(C)C1NC1CN;MUWLXFJKNZGPLJ-UHFFFAOYSA-N;140.23;0.33;;;;;DOPC;MDCG;27;1;"MARTINI bead: SC5_SP2";;;;;;;0.54;;-3.02;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM419677;MM419677;CC1OC1COC=CC#N;POTHHTUIOHAPRR-UHFFFAOYSA-N;139.15;0.83;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNa_P2";;;;;;;-0.24;;-3.24;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM419678;MM419678;C=Cc1cc(CC=O)c[nH]1;FHYBPVYPXGUGBA-UHFFFAOYSA-N;135.17;1.4;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNd_SNa";;;;;;;0.87;;-1.88;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM419679;MM419679;CC=C(CC)OC=CC#N;HZOAZNLMMHOLEP-UHFFFAOYSA-N;137.18;2.35;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4_N0";;;;;;;2.5;;0.44;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM419680;MM419680;C=C1C(C#N)NC2CC12C;SURGEVWGIYHRQR-UHFFFAOYSA-N;134.18;0.82;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC4_SP1";;;;;;;1.37;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM419681;MM419681;CC#CC(=O)C(=CC)CF;NFFBJIXVRHDZBD-UHFFFAOYSA-N;140.16;1.49;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4_C5";;;;;;;2.97;;0.45;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM419682;MM419682;CC1CC1(C)C1NC1CF;XWNGJYAWDAYTJO-UHFFFAOYSA-N;143.21;1.34;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC5_SP1";;;;;;;0.81;;-0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM419683;MM419683;C=Cc1cc(CC#N)c[nH]1;KRXUFERZWJTDMA-UHFFFAOYSA-N;132.17;1.72;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNd_SN0";;;;;;;1.17;;-1.04;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM419684;MM419684;CC1OC1CON=CC#N;PHZQNYWNPIZCBP-UHFFFAOYSA-N;140.14;0.3;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNa_Na";;;;;;;0.87;;-2.22;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM419685;MM419685;C=CC=COC(=CF)CC;WBSNJSIZXJSVOA-UHFFFAOYSA-N;142.17;2.92;;;;;DOPC;MDCG;27;0;"MARTINI bead: C3_Na";;;;;;;2.57;;0.45;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM419686;MM419686;C=C(C#CC)C(CC)=NN;DNZXTSPHWHKOLS-UHFFFAOYSA-N;136.2;1.29;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nd_C4";;;;;;;2.2;;0.32;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM419687;MM419687;C=C1N(C=N)CC2CC12C;JAZOWSGIIYFURX-UHFFFAOYSA-N;136.2;1.45;;;;;DOPC;MDCG;27;1;"MARTINI bead: SC5_SNd";;;;;;;1.64;;-3.34;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM419688;MM419688;C=CCc1c[nH]c(C#N)c1;NZDXFUDLPKTLQT-UHFFFAOYSA-N;132.17;1.61;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC5_SNd";;;;;;;1.64;;0.02;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM419689;MM419689;CCC1NC1C1(C)CC1N;ULDNVLWRGHQVEH-UHFFFAOYSA-N;140.23;0.47;;;;;DOPC;MDCG;27;1;"MARTINI bead: SNd_SNd";;;;;;;0.87;;-4.1;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM419690;MM419690;CN1CC1CNC=CC#N;YZAFDHPDPFKJCA-UHFFFAOYSA-N;137.19;-0.07;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP1_Nd";;;;;;;0.04;;-2.63;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM419691;MM419691;CCC(=CF)OC=CC#N;GWRCMIPMKJBHCO-UHFFFAOYSA-N;141.15;2.26;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_N0";;;;;;;1.17;;-1.18;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM419692;MM419692;O=C(O)c1cnnc(=O)o1;BKOWZENJAZRZGR-UHFFFAOYSA-N;142.07;-0.87;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP4_SP2";;;;;;;-2.29;;-9.61;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM419693;MM419693;C=C1N(C=O)CC2CC12C;HTNJBQRNZLNKRT-UHFFFAOYSA-N;137.18;1;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC5_SNda";;;;;;;1.64;;0.05;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM419695;MM419695;O=CCc1c[nH]c(C=O)c1;AGISJWJORQIJPG-UHFFFAOYSA-N;137.14;0.57;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNa_SNda";;;;;;;0.87;;-1.99;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM419694;MM419694;CC1(C2NC2CF)CC1F;PUXUPXDOWXMNIW-UHFFFAOYSA-N;147.17;1.04;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNa_SP1";;;;;;;0.04;;-2.54;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM419696;MM419696;C#CC=CCCC1CC1C;NDHXULKKZWQHCY-UHFFFAOYSA-N;134.22;2.61;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC5_C4";;;;;;;2.97;;0.45;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM419697;MM419697;CC#CC(=O)C(=NC)NC;QURTVVWNPVDZSA-UHFFFAOYSA-N;138.17;-0.17;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_C5";;;;;;;0.81;;-0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM419698;MM419698;C=CC=COC(=CC)CO;VJHCNEVGVIULJE-UHFFFAOYSA-N;140.18;1.6;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_C4";;;;;;;1.37;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM419699;MM419699;C=CN1CC2CC2(C)C1=N;LHZIGYNLZOJKKY-UHFFFAOYSA-N;136.2;1.45;;;;;DOPC;MDCG;27;1;"MARTINI bead: SC5_SNd";;;;;;;1.64;;-4.21;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM419700;MM419700;CCC1NC1C1(N)CC1C;LTVNNMFSTNHQLB-UHFFFAOYSA-N;140.23;0.47;;;;;DOPC;MDCG;27;1;"MARTINI bead: SNd_SNd";;;;;;;0.87;;-4.22;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM419701;MM419701;N#Cc1cc(CC=O)c[nH]1;LOVWVHTXPZFGEB-UHFFFAOYSA-N;134.14;0.63;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNa_SNd";;;;;;;0.87;;-1.88;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM419702;MM419702;C#CC=NNCC1CC1N;XEKAHDAMKUBBBT-UHFFFAOYSA-N;137.19;-0.46;;;;;DOPC;MDCG;27;1;"MARTINI bead: SNd_P1";;;;;;;0.04;;-4.93;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM419703;MM419703;CCC1NC1C1(N)CC1N;ZGFWMBZXOSVHLI-UHFFFAOYSA-N;141.22;-0.83;;;;;DOPC;MDCG;27;1;"MARTINI bead: SNd_SP3";;;;;;;-1.1;;-5.6;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM419704;MM419704;C=C(C#CC)C(=CC)OC;IPACSIAXFLKFBB-UHFFFAOYSA-N;136.19;2.12;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_C4";;;;;;;2.97;;0.45;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM419705;MM419705;CC=C(CO)OC=CC=O;JQMIKTCBXNUFNH-UHFFFAOYSA-N;142.15;0.61;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda_Na";;;;;;;0.87;;-1.99;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM419706;MM419706;C=C1N(C=N)CC2CC12N;BVOYJOMPCFBVHG-UHFFFAOYSA-N;137.19;0.14;;;;;DOPC;MDCG;27;1;"MARTINI bead: SP1_SNd";;;;;;;0.04;;-5.8;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM419707;MM419707;N#CCc1c[nH]c(C#N)c1;OFYPPAIVUHDGCA-UHFFFAOYSA-N;131.14;0.95;;;;;DOPC;MDCG;27;0;"MARTINI bead: SN0_SNd";;;;;;;1.17;;-1.04;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM419708;MM419708;Cc1cc(N)nc(=O)n1C;HPHILCXRGGDDOA-UHFFFAOYSA-N;139.16;-0.33;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP1_SP1";;;;;;;-0.79;;-3.13;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM419709;MM419709;NCC1NC1C1(N)CC1N;DCBXZDFWKJPPIO-UHFFFAOYSA-N;142.21;-2.29;;;;;DOPC;MDCG;27;1;"MARTINI bead: SP2_SP3";;;;;;;-2.2;;-7.29;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM419710;MM419710;C=C1N(C=O)CC2CC12N;IBXZARYGVCYBMG-UHFFFAOYSA-N;138.17;-0.31;;;;;DOPC;MDCG;27;1;"MARTINI bead: SP1_SNda";;;;;;;0.04;;-4.01;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM419711;MM419711;C=CC=COC(=CF)CO;FUUOIOYDJYVXDI-UHFFFAOYSA-N;144.15;1.51;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda_Na";;;;;;;0.87;;-1.99;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM419712;MM419712;CC#CC(=O)C(=CC)OC;ZMTDQMAZGOSCJH-UHFFFAOYSA-N;138.17;1.13;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_C5";;;;;;;2.41;;0.64;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM419713;MM419713;C=Cc1cc(NC=N)c[nH]1;AIHUTNRMUXFCDT-UHFFFAOYSA-N;135.17;1.68;;;;;DOPC;MDCG;27;1;"MARTINI bead: SNd_SP1";;;;;;;0.04;;-3.89;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM419714;MM419714;C#CC=COCC1CC1C;HUWMIFCPURLLSV-UHFFFAOYSA-N;136.19;1.81;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC5_N0";;;;;;;1.94;;0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM419715;MM419715;CCC1NC1C1(N)CC1O;QQUBHFVFPZHZRX-UHFFFAOYSA-N;142.2;-0.8;;;;;DOPC;MDCG;27;1;"MARTINI bead: SNd_SP2";;;;;;;-0.24;;-4.59;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM419716;MM419716;C=C1N(C=N)CC2CC12O;XTHVQMIVKJZFOX-UHFFFAOYSA-N;138.17;0.17;;;;;DOPC;MDCG;27;1;"MARTINI bead: SP1_SNd";;;;;;;0.04;;-5.56;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM419717;MM419717;CC=C(CF)OC=CC=O;BHWLWEIUODYEJJ-UHFFFAOYSA-N;144.15;1.59;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4_P2";;;;;;;1.09;;-0.38;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM419718;MM419718;CC#CC(=O)C(=CN)OC;RFSBAFDAJSCBFK-UHFFFAOYSA-N;139.15;0.03;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_C5";;;;;;;0.81;;-0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM419719;MM419719;C=Cc1cc(NC=O)c[nH]1;RSULLMNTDSHALJ-UHFFFAOYSA-N;136.15;1.23;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNd_SNda";;;;;;;0.87;;-1.92;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM419720;MM419720;CC1CC1(O)C1NC1CN;OQFPOKFSOQHRMY-UHFFFAOYSA-N;142.2;-0.94;;;;;DOPC;MDCG;27;1;"MARTINI bead: SNda_SP2";;;;;;;-0.24;;-4.96;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM419721;MM419721;C#CC=COCC1CC1N;IUOIMYHRGGEUKQ-UHFFFAOYSA-N;137.18;0.5;;;;;DOPC;MDCG;27;1;"MARTINI bead: SP1_N0";;;;;;;0.34;;-4.1;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM419722;MM419722;C=C1N(C=O)CC2CC12O;DQKSFNRKJXDWKR-UHFFFAOYSA-N;139.15;-0.28;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP1_SNda";;;;;;;0.04;;-2.73;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM419723;MM419723;CC=C(CF)OC=CC#N;TVFBTZMRNQAUJU-UHFFFAOYSA-N;141.15;1.91;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4_P2";;;;;;;1.09;;-0.38;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM419724;MM419724;N#CC(F)CNCC=O;ZQXWRHLWVABMEF-UHFFFAOYSA-N;130.12;-0.36;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_P2";;;;;;;-0.24;;-3.24;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM419725;MM419725;N#Cc1cc(NC=O)c[nH]1;DIEHSHIGYYUHFU-UHFFFAOYSA-N;135.13;0.45;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNda_SNd";;;;;;;0.87;;-1.92;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM419726;MM419726;C#CC=NOCC1CC1C;JZKIEEBNBSFYGV-UHFFFAOYSA-N;137.18;1.28;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC5_Na";;;;;;;1.64;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM419727;MM419727;NCC1NC1C1(O)CC1O;BKIPXQOFEFRILF-UHFFFAOYSA-N;144.17;-2.22;;;;;DOPC;MDCG;27;1;"MARTINI bead: SP2_SP2";;;;;;;-1.34;;-5.95;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM419728;MM419728;COc1nc(=NN)n(N)o1;KQTPXTVSJUQDQZ-UHFFFAOYSA-N;145.12;-2.03;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNa_SP3";;;;;;;-1.1;;-4.2;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM419729;MM419729;C=NN=COC(=CC)CF;JFOAFYNMFAXGNN-UHFFFAOYSA-N;144.15;1.52;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4_P1";;;;;;;1.37;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM419730;MM419730;C=C(C#CC)C(=NO)OC;AUXPAWPYFJFVEQ-UHFFFAOYSA-N;139.15;1;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_C4";;;;;;;1.09;;-0.37;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM419731;MM419731;C=COc1c[nH]c(C=C)c1;JJYWSDQAHPOBFC-UHFFFAOYSA-N;135.17;2.18;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNa_SNd";;;;;;;0.87;;-1.88;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM419732;MM419732;C#CC=NOCC1CC1N;QRKXLKPSLMIOAH-UHFFFAOYSA-N;138.17;-0.03;;;;;DOPC;MDCG;27;1;"MARTINI bead: SP1_Na";;;;;;;0.04;;-5.1;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM419733;MM419733;CC1CC1(F)C1NC1CN;NMPNRTBDIXPTTL-UHFFFAOYSA-N;144.19;0.03;;;;;DOPC;MDCG;27;1;"MARTINI bead: SNa_SP2";;;;;;;-0.24;;-5.18;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM419734;MM419734;C=C1N(C=N)CC2NC12C;CFIZNIFPPRMHHJ-UHFFFAOYSA-N;137.19;0.15;;;;;DOPC;MDCG;27;1;"MARTINI bead: SP1_SNd";;;;;;;0.04;;-5.48;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM419735;MM419735;C=NN=COC(=CF)CF;JGRIICIHAZAAMD-UHFFFAOYSA-N;148.11;1.43;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_N0";;;;;;;1.17;;-1.18;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM419736;MM419736;C=CC(=CC)C(=C)C#CC;FWMXFJIZCRYACR-UHFFFAOYSA-N;132.21;2.7;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1_C4";;;;;;;4.24;;0.42;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM419737;MM419737;COn1onc(O)c1=O;PSEQZPQOFMYILO-UHFFFAOYSA-N;132.08;-1.4;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP2_SP1";;;;;;;-1.06;;-8.79;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM419738;MM419738;Cc1cn(C)c(=O)nc1N;AOUSVALLAUSDCJ-UHFFFAOYSA-N;139.16;-0.33;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP1_SNda";;;;;;;0.04;;-2.73;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM419739;MM419739;CC=NNC(CC)=NOC;PJHIGAZZEIASQU-UHFFFAOYSA-N;143.19;0.95;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_Nd";;;;;;;0.87;;-1.88;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM419740;MM419740;C=C1N(C=O)CC2NC12C;WODKPIPKOWIVOD-UHFFFAOYSA-N;138.17;-0.3;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP1_SNda";;;;;;;0.04;;-2.73;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM419741;MM419741;C=CC=COC(CC)=NO;UTUTXWCIRDANIR-UHFFFAOYSA-N;141.17;1.9;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda_Na";;;;;;;0.87;;-1.99;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM419742;MM419742;C=CC(=CF)C(=C)C#CC;XNCVHNKKQJLMTQ-UHFFFAOYSA-N;136.17;2.61;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4_C4";;;;;;;3.53;;0.53;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM419743;MM419743;C=COc1c[nH]c(C#N)c1;ZXYAPPQOLFHAEJ-UHFFFAOYSA-N;134.14;1.41;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNa_SNd";;;;;;;0.87;;-1.88;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM419744;MM419744;C#CC=NOCC1OC1C;GFQFRHZJIVLDCB-UHFFFAOYSA-N;139.15;0.41;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNa_Na";;;;;;;0.87;;-2.22;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM419745;MM419745;CC1CC1(F)C1NC1CF;KEKQFBDDPCSYPO-UHFFFAOYSA-N;147.17;1.04;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNa_SP1";;;;;;;0.04;;-2.54;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM419746;MM419746;C=C1N(C=N)CC2OC12C;VUFSLUMOILVCEL-UHFFFAOYSA-N;138.17;0.58;;;;;DOPC;MDCG;27;1;"MARTINI bead: SNa_SNd";;;;;;;0.87;;-4.22;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM419747;MM419747;C=C1CCC(C)(O)C=C1C;JUTIHQYJXFYPJS-UHFFFAOYSA-N;138.21;2.03;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC5_SC1";;;;;;;3.68;;0.46;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM419748;MM419748;C=C(C#CC)C(C=O)=CC;GYLZEZQHIRLHJA-UHFFFAOYSA-N;134.18;1.71;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_C4";;;;;;;2.2;;0.34;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM419749;MM419749;C#CC=COCC1CN1C;LATDYVIRNWSCEM-UHFFFAOYSA-N;137.18;0.46;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP1_N0";;;;;;;0.34;;-1.53;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM419750;MM419750;C=CCc1coc(C=C)c1;IOTFJIXYVUVOQE-UHFFFAOYSA-N;134.18;2.65;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC4_SC5";;;;;;;2.97;;0.45;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM419751;MM419751;CCC1OC1C1(C)CC1C;UGXUMRVMZAJKOJ-UHFFFAOYSA-N;140.23;2.21;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNa_SC5";;;;;;;1.64;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM419752;MM419752;C=C1N(C=O)CC2OC12C;DBAWJSWOSWLBGW-UHFFFAOYSA-N;139.15;0.13;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNa_SNda";;;;;;;0.87;;-1.99;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM419753;MM419753;N#Cc1n[nH]c(O)n1;GKZVBXHOVKWVDU-UHFFFAOYSA-N;110.08;-0.62;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP2_SP1";;;;;;;-1.06;;-8.46;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM419754;MM419754;C=C(C#CC)C(C#N)=CC;OOHCOMGFCFSENV-UHFFFAOYSA-N;131.18;2.04;;;;;DOPC;MDCG;27;0;"MARTINI bead: N0_C4";;;;;;;2.5;;0.44;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM419755;MM419755;CC1(C2OC2CN)CC1N;XYOCXTPLCYEPGY-UHFFFAOYSA-N;142.2;-0.55;;;;;DOPC;MDCG;27;1;"MARTINI bead: SNd_SP2";;;;;;;-0.24;;-5.58;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM419756;MM419756;C=Cc1cc(CC=O)co1;BARDWIDJEBQRHB-UHFFFAOYSA-N;136.15;1.66;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC5_SNa";;;;;;;1.64;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM419757;MM419757;CCC#CCCC1CC1C;UQIXAQHNLKXUFR-UHFFFAOYSA-N;136.24;2.84;;;;;DOPC;MDCG;27;0;"MARTINI bead: C3_SC5";;;;;;;3.34;;0.48;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM419758;MM419758;C#CC1CC2CC2(C)C1=C;JTMCGSHQQYTGQO-UHFFFAOYSA-N;132.21;2.22;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC4_SC4";;;;;;;3.53;;0.53;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM419759;MM419759;CCC1(C)CC2CC2(O)C1;QJMHGEHLEZBMTQ-UHFFFAOYSA-N;140.23;1.95;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC1_SNda";;;;;;;2.91;;0.57;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM419760;MM419760;C=C(C#CC)C(C#N)=CN;DISOUNISKOQGJU-UHFFFAOYSA-N;132.17;0.93;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4_P1";;;;;;;1.37;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM419761;MM419761;C=Cc1cc(CC#N)co1;RRHYQARUJBJJJH-UHFFFAOYSA-N;133.15;1.99;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC5_SN0";;;;;;;1.94;;0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM419762;MM419762;CC1CC1CCC#CCO;BKFHSAKGIKTPEE-UHFFFAOYSA-N;138.21;1.42;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC3_P2";;;;;;;1.46;;-0.15;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM419763;MM419763;CCC1OC1C1(C)CC1O;VKVSAZXUXDCJBJ-UHFFFAOYSA-N;142.2;0.93;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNa_SNda";;;;;;;0.87;;-1.99;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM419764;MM419764;C#CC1CC2CC2(N)C1=C;WKYCACGNAXLFIO-UHFFFAOYSA-N;133.19;0.91;;;;;DOPC;MDCG;27;1;"MARTINI bead: SNd_SC4";;;;;;;2.2;;-1.77;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM419765;MM419765;C=CC(=CC)C(=O)C#CC;OWHZCLFIJSTIFY-UHFFFAOYSA-N;134.18;1.71;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1_C5";;;;;;;3.68;;0.46;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM419766;MM419766;Nn1oc(O)c2ncnc1-2;RSHKFTLKELOTES-UHFFFAOYSA-N;140.1;-0.6;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNda_SP1";;;;;;;0.04;;-7.46;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM419767;MM419767;C=CCc1coc(C=O)c1;WKABXOPQVLTITP-UHFFFAOYSA-N;136.15;1.82;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC4_SNa";;;;;;;2.2;;0.34;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM419768;MM419768;CC1CC1(N)C1OC1CN;XAHIGDSTAXOFAS-UHFFFAOYSA-N;142.2;-0.55;;;;;DOPC;MDCG;27;1;"MARTINI bead: SNd_SP2";;;;;;;-0.24;;-5.54;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM419769;MM419769;CC1CC1CCC#CCF;JCXWPBYFVOLSFT-UHFFFAOYSA-N;140.2;2.4;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC3_Na";;;;;;;2.57;;0.45;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM419770;MM419770;Cc1nnc(=NN)n(N)n1;MEFBCDYWSZBENL-UHFFFAOYSA-N;141.14;-2.53;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP2_SP5";;;;;;;-2.22;;-6.53;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM419771;MM419771;COC(C(=O)O)C(=O)NN;VZNNMFOBQHBBHW-UHFFFAOYSA-N;148.12;-1.92;;;;;DOPC;MDCG;27;0;"MARTINI bead: P3_P1";;;;;;;-1.93;;-8.93;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM419772;MM419772;C=CC(=CN)C(=O)C#CC;LVXJOISQGGPVRT-UHFFFAOYSA-N;135.17;0.61;;;;;DOPC;MDCG;27;0;"MARTINI bead: N0_Nda";;;;;;;1.17;;-1.13;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM419773;MM419773;C=CCc1coc(C#N)c1;CWNHMCRHVWZBRB-UHFFFAOYSA-N;133.15;1.88;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC4_SN0";;;;;;;2.5;;0.44;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM419774;MM419774;CC1CC1(N)C1OC1CO;JMWUDYAHEBACAU-UHFFFAOYSA-N;143.19;-0.52;;;;;DOPC;MDCG;27;1;"MARTINI bead: SNd_SP2";;;;;;;-0.24;;-5.02;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM419775;MM419775;CCC#CCCC1CC1N;JIIUCMZLOKYQJR-UHFFFAOYSA-N;137.23;1.53;;;;;DOPC;MDCG;27;1;"MARTINI bead: C3_SNd";;;;;;;2.57;;-1.36;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM419776;MM419776;C#CC1CC2CC2(F)C1=C;SBENTDFYRZBZBS-UHFFFAOYSA-N;136.17;1.92;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC5_SC4";;;;;;;2.97;;0.45;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM419777;MM419777;CC#CC(=O)C(C=O)=CC;LABJVVRBHRQUJT-UHFFFAOYSA-N;136.15;0.72;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_C5";;;;;;;1.64;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM419778;MM419778;N=c1ncc(=O)oc(N)n1;RQMJSHQDEMMSGH-UHFFFAOYSA-N;140.1;-1.51;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP3_SP3";;;;;;;-3.07;;-6.15;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM419779;MM419779;CC1CC1(N)C1OC1CF;OASURKOHKKJZHQ-UHFFFAOYSA-N;145.18;0.46;;;;;DOPC;MDCG;27;1;"MARTINI bead: SNd_SNa";;;;;;;0.87;;-4.05;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM419780;MM419780;O=CCc1coc(C=O)c1;ORTZOVATNWMUFJ-UHFFFAOYSA-N;138.12;0.83;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNa_SNa";;;;;;;0.87;;-2.22;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM419781;MM419781;NCC#CCCC1CC1N;MNYISLMTURYVPE-UHFFFAOYSA-N;138.21;0.08;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_SNd";;;;;;;0.87;;-4.79;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM419782;MM419782;CC=C1CC2CC2(C)C1C;HNBXPTPJCKPWCJ-UHFFFAOYSA-N;136.24;3;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC1_SC4";;;;;;;4.24;;0.42;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM419783;MM419783;C#CC=CCC(=CC)CC;BNLFUMQGXZSERR-UHFFFAOYSA-N;134.22;2.92;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1_C4";;;;;;;4.24;;0.42;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM419784;MM419784;CC#CC(=O)C(C#N)=CC;OOZOYMLMCCPYEN-UHFFFAOYSA-N;133.15;1.05;;;;;DOPC;MDCG;27;0;"MARTINI bead: N0_C5";;;;;;;1.94;;0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM419785;MM419785;CCC1OC1C1(O)CC1C;SYTIONJFUKLEJK-UHFFFAOYSA-N;142.2;0.93;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNa_SNda";;;;;;;0.87;;-1.99;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM419786;MM419786;N#CCc1coc(C=O)c1;FOOIQQCDBNUQMU-UHFFFAOYSA-N;135.12;1.16;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNa_SN0";;;;;;;1.17;;-1.18;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM419787;MM419787;CCC#CCCC1CC1F;OKIOYHOIWSADSR-UHFFFAOYSA-N;140.2;2.54;;;;;DOPC;MDCG;27;0;"MARTINI bead: C3_SNa";;;;;;;2.57;;0.45;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM419788;MM419788;CC1C(=NN)CC2CC21C;JGCQETKRRSVEHU-UHFFFAOYSA-N;138.21;1.37;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC5_SC4";;;;;;;2.97;;0.45;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM419789;MM419789;C#CC=CCC(=CF)CC;DRYTYAOGOHFQOH-UHFFFAOYSA-N;138.19;2.83;;;;;DOPC;MDCG;27;0;"MARTINI bead: C3_C4";;;;;;;3.9;;0.47;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM419790;MM419790;CC#CC(=O)C(C#N)=CF;UOAMQTYTGBDERC-UHFFFAOYSA-N;137.11;0.96;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_Na";;;;;;;1.64;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM419791;MM419791;CCC1OC1C1(O)CC1O;XVTXSXFBBILAET-UHFFFAOYSA-N;144.17;-0.34;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNa_SP2";;;;;;;-0.24;;-3.24;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM419792;MM419792;N#Cc1cc(CC=O)co1;VWUPBRXRVHRKGA-UHFFFAOYSA-N;135.12;0.89;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNa_SN0";;;;;;;1.17;;-1.18;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM419793;MM419793;CCC#CCNC1CC1C;CJZFXMJJTAZQQD-UHFFFAOYSA-N;137.23;1.4;;;;;DOPC;MDCG;27;1;"MARTINI bead: C3_SNd";;;;;;;2.57;;-0.36;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM419794;MM419794;CC1C(=NO)CC2CC21C;LXSIWKSKBJICGE-UHFFFAOYSA-N;139.2;1.88;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNda_SC4";;;;;;;2.2;;0.49;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM419795;MM419795;C#CC=CCC(=CC)CN;GQOZFGVULAQUPI-UHFFFAOYSA-N;135.21;1.47;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_C4";;;;;;;2.2;;-1.66;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM419796;MM419796;C=CC(=NN)C(=C)C#CC;IGMWQQIVDMJGPM-UHFFFAOYSA-N;134.18;1.07;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4_Nd";;;;;;;2.2;;0.32;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM419797;MM419797;OC1CC1(O)C1OC1CF;GLDAVKFEGLRGLC-UHFFFAOYSA-N;148.13;-0.78;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP2_SNa";;;;;;;-0.24;;-3.24;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM419798;MM419798;CC1CC1NCC#CCN;WFCQWFTXZCADPT-UHFFFAOYSA-N;138.21;-0.05;;;;;DOPC;MDCG;27;1;"MARTINI bead: SNd_Nd";;;;;;;0.87;;-3.93;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM419799;MM419799;N#CCc1coc(C#N)c1;CRIKYGCBBWVTRE-UHFFFAOYSA-N;132.12;1.22;;;;;DOPC;MDCG;27;0;"MARTINI bead: SN0_SN0";;;;;;;1.47;;-0.05;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM419800;MM419800;CN1C(=NN)CC2CC21C;LYUGDPDQHSMGPX-UHFFFAOYSA-N;139.2;0.37;;;;;DOPC;MDCG;27;1;"MARTINI bead: SNd_SN0";;;;;;;1.17;;-2.54;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM419801;MM419801;C#CC=CCC(=CF)CN;SQMIVAJIILQSPZ-UHFFFAOYSA-N;139.17;1.38;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1_C4";;;;;;;1.37;;-2.1;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM419802;MM419802;C=CC(=NO)C(=C)C#CC;HEISLKRHAUMPNM-UHFFFAOYSA-N;135.17;1.58;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4_Nda";;;;;;;2.2;;0.49;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM419803;MM419803;CCC1OC1C1(F)CC1C;DBYHVXWUKJIINY-UHFFFAOYSA-N;144.19;1.91;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNa_SNa";;;;;;;0.87;;-2.22;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM419804;MM419804;NC1CC1NCC#CCO;NBHDXYIXYUBALF-UHFFFAOYSA-N;140.19;-1.33;;;;;DOPC;MDCG;27;1;"MARTINI bead: SP3_Nda";;;;;;;-1.1;;-5.77;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM419805;MM419805;N#Cc1cc(NC=O)co1;FDZNAENMNLQEML-UHFFFAOYSA-N;136.11;0.72;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNda_SN0";;;;;;;1.17;;-1.13;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM419806;MM419806;NN=c1oncn(N)c1=O;WQEKFIKJAXMHGV-UHFFFAOYSA-N;143.11;-2.68;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP3_SP3";;;;;;;-3.07;;-6.15;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM419807;MM419807;O=C(O)C(=NO)OC=CF;MKEPXDBZEIPPRW-UHFFFAOYSA-N;149.08;0.32;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_C5";;;;;;;0.54;;-5.78;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM419808;MM419808;N=c1ncc(=O)nc(N)o1;HAKNUGWXFPQLMR-UHFFFAOYSA-N;140.1;-1.51;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP3_SP3";;;;;;;-3.07;;-6.15;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM419809;MM419809;CC1CC1(F)C1OC1CN;IKOXUKGGTGFMDI-UHFFFAOYSA-N;145.18;0.46;;;;;DOPC;MDCG;27;1;"MARTINI bead: SNa_SP2";;;;;;;-0.24;;-5.23;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM419810;MM419810;C=COc1coc(C=C)c1;FULFNNQLWZCUFC-UHFFFAOYSA-N;136.15;2.44;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC5_SC5";;;;;;;2.41;;0.64;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM419811;MM419811;CCC#CCOC1CC1C;KIVQVWHKPZGNLV-UHFFFAOYSA-N;138.21;1.82;;;;;DOPC;MDCG;27;0;"MARTINI bead: C3_SNa";;;;;;;2.57;;0.45;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM419812;MM419812;C=C1C(=CC)CC2CC12C;BUSCAKIQVORZPQ-UHFFFAOYSA-N;134.22;2.92;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC1_SC4";;;;;;;4.24;;0.42;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM419813;MM419813;C#CC(=CC)C(=C)C#CC;LKYJTGXSWHBVLD-UHFFFAOYSA-N;130.19;2.15;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4_C4";;;;;;;3.53;;0.53;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM419814;MM419814;CC1CC1(F)C1OC1CO;YXZMFCGKNPMUPX-UHFFFAOYSA-N;146.16;0.49;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNa_SP2";;;;;;;-0.24;;-3.24;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM419815;MM419815;C#CC=CCC(=CF)CO;KLYULGPNHBBBGK-UHFFFAOYSA-N;140.16;1.41;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda_N0";;;;;;;1.17;;-1.13;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM419816;MM419816;C=COc1coc(C=O)c1;UMUPMFLMZBQKHG-UHFFFAOYSA-N;138.12;1.61;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC5_SNa";;;;;;;1.64;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM419817;MM419817;CC1CC1OCC#CCN;BENQGFUBSLVTPS-UHFFFAOYSA-N;139.2;0.37;;;;;DOPC;MDCG;27;1;"MARTINI bead: SNa_Nd";;;;;;;0.87;;-3.3;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM419818;MM419818;C=C1C(=CC)CC2CC12N;JLVFJDPLMNZIJB-UHFFFAOYSA-N;135.21;1.61;;;;;DOPC;MDCG;27;1;"MARTINI bead: SC1_SNd";;;;;;;2.91;;-0.14;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM419819;MM419819;C#CC(=CC)C(=O)C#CC;JGSYTDUGFADBGT-UHFFFAOYSA-N;132.16;1.16;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4_C5";;;;;;;2.97;;0.45;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM419820;MM419820;CCC1OC1C1(F)CC1N;NYKOBGWHBPSAPX-UHFFFAOYSA-N;145.18;0.6;;;;;DOPC;MDCG;27;1;"MARTINI bead: SNa_SP1";;;;;;;0.04;;-3.73;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM419821;MM419821;C#CC=CCC(=CC)CF;OZEJACJSAORRKW-UHFFFAOYSA-N;138.19;2.48;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4_C4";;;;;;;3.53;;0.53;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM419822;MM419822;C=COc1coc(C#N)c1;RGCVKRDNOGEOIG-UHFFFAOYSA-N;135.12;1.67;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC5_SN0";;;;;;;1.94;;0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM419823;MM419823;CC1NC1CCC#CCN;VTEPIETUXACADH-UHFFFAOYSA-N;138.21;0.09;;;;;DOPC;MDCG;27;1;"MARTINI bead: SP1_Nd";;;;;;;0.04;;-4.18;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM419824;MM419824;C=C1C(=CF)CC2CC12F;ZBWKLKAVCWSTEQ-UHFFFAOYSA-N;142.15;2.53;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC4_SC4";;;;;;;3.53;;0.53;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM419825;MM419825;C#CC(=CN)C(=O)C#CC;GYMKBYSEGRIISV-UHFFFAOYSA-N;133.15;0.05;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_P1";;;;;;;0.81;;-0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM419826;MM419826;CC1NC1(C)C1CC1CN;BCZZQARREVGSRY-UHFFFAOYSA-N;140.23;0.33;;;;;DOPC;MDCG;27;1;"MARTINI bead: SP1_SNd";;;;;;;0.04;;-5.43;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM419827;MM419827;C#CC=CCC(CC)=NN;DKKAPQQIXJLIMR-UHFFFAOYSA-N;136.2;1.29;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_N0";;;;;;;1.94;;0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM419828;MM419828;C=CN=C1C=C(C=C)CN1;HRYWECZQPCTBJV-UHFFFAOYSA-N;134.18;1.24;;;;;DOPC;MDCG;27;1;"MARTINI bead: SNd_SP1";;;;;;;0.04;;-5.4;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM419829;MM419829;CC1OC1CCC#CCN;SIOUWKLOVFVRCV-UHFFFAOYSA-N;139.2;0.52;;;;;DOPC;MDCG;27;1;"MARTINI bead: SNa_Nd";;;;;;;0.87;;-3.39;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM419830;MM419830;C=C1C(=NO)CC2CC12C;HYHXGDOIKPCMSO-UHFFFAOYSA-N;137.18;1.8;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC5_SNda";;;;;;;1.64;;0.05;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM419831;MM419831;CCC1CC1C1(C)OC1C;DXBNEFFQSHPSKZ-UHFFFAOYSA-N;140.23;2.21;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC3_SNa";;;;;;;2.57;;0.45;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM419832;MM419832;C#CC(=CF)C(=O)C#CC;AZYASMBWXYEHKL-UHFFFAOYSA-N;136.13;1.07;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_C5";;;;;;;2.41;;0.64;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM419833;MM419833;C#CC=CCC(CC)=NO;BOZSGNVGDJRZGT-UHFFFAOYSA-N;137.18;1.81;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda_N0";;;;;;;1.17;;-1.13;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM419834;MM419834;CCC#CCCN1CC1C;KJNUGZTXFYZVMM-UHFFFAOYSA-N;137.23;1.49;;;;;DOPC;MDCG;27;0;"MARTINI bead: C3_SNd";;;;;;;2.57;;0.56;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM419835;MM419835;C=C1C(=CC)OC2CC12C;NWUALZFYDIFLOH-UHFFFAOYSA-N;136.19;2.26;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC5_SN0";;;;;;;1.94;;0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM419836;MM419836;C=CN=C1C=C(C=O)CN1;DBEFTWBYDGRQJG-UHFFFAOYSA-N;136.15;0.26;;;;;DOPC;MDCG;27;1;"MARTINI bead: SNd_SP1";;;;;;;0.04;;-4.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM419837;MM419837;CC1OC1(C)C1CC1CN;LCCRKUIPLKRBQY-UHFFFAOYSA-N;141.21;0.76;;;;;DOPC;MDCG;27;1;"MARTINI bead: SNa_SNd";;;;;;;0.87;;-4.68;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM419838;MM419838;CCC=C(C)C(CC)CC;ZFDYUZKXXWZDIS-UHFFFAOYSA-N;140.27;3.78;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1_C1";;;;;;;4.95;;0.69;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM419839;MM419839;N=c1nnc(=N)oc(N)n1;BHRWESFOESNMRJ-UHFFFAOYSA-N;140.11;-1.99;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP3_SP3";;;;;;;-3.07;;-6.15;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM419840;MM419840;CC1CN1CCC#CCN;FHTJPRZITOZDTK-UHFFFAOYSA-N;138.21;0.04;;;;;DOPC;MDCG;27;1;"MARTINI bead: SNd_Nd";;;;;;;0.87;;-3.61;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM419841;MM419841;C=CN=C1C=C(C#N)CN1;NKHZPFDSUVBPPS-UHFFFAOYSA-N;133.15;0.58;;;;;DOPC;MDCG;27;1;"MARTINI bead: SNd_SP1";;;;;;;0.04;;-4.17;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM419842;MM419842;C=C1C(=NN)CC2NC12C;DOJZCZOONQBZSA-UHFFFAOYSA-N;137.19;-0.01;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP1_SC5";;;;;;;0.81;;-0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM419843;MM419843;CC1OC1(C)C1CC1CO;VZWWIHSITYLFQU-UHFFFAOYSA-N;142.2;0.79;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNa_SNda";;;;;;;0.87;;-1.99;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM419844;MM419844;CCC=C(C)C(CC)CN;OETZNCIUDRRVRA-UHFFFAOYSA-N;141.26;2.33;;;;;DOPC;MDCG;27;1;"MARTINI bead: C1_Nd";;;;;;;2.91;;-0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM419845;MM419845;C#CC=CCC(CF)=NN;JRLGTHRNNCYRGG-UHFFFAOYSA-N;140.16;0.85;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_C4";;;;;;;1.37;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM419846;MM419846;C=CC#CCCC1CC1C;YRRFRBLMHADQFL-UHFFFAOYSA-N;134.22;2.61;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC5_C4";;;;;;;2.97;;0.45;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM419847;MM419847;C=CC(=C)C=COC=NN;NTQKSGIHEQKEAT-UHFFFAOYSA-N;138.17;1.16;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_C3";;;;;;;1.74;;0.29;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM419848;MM419848;C=C1C(=NN)CN2CC12C;MUWGPHQFZOFOTC-UHFFFAOYSA-N;137.19;-0.05;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP1_SP2";;;;;;;-1.06;;-3.82;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM419849;MM419849;COC1CC1C1(C)OC1C;JBSSSGXJFWPYEZ-UHFFFAOYSA-N;142.2;1.2;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNa_SNa";;;;;;;0.87;;-2.22;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM419850;MM419850;CCC(CO)C(C)=CCO;DVNQWNZBMOLIOJ-UHFFFAOYSA-N;144.21;0.94;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda_Nda";;;;;;;0.87;;-2.07;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM419851;MM419851;C#CC=CCC(=NC)NN;FCIPVPGNYQKGEZ-UHFFFAOYSA-N;137.19;0.06;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_N0";;;;;;;1.17;;-3.75;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM419852;MM419852;C#CC(=C)C=COC=NN;SBGJNKINEOKIJF-UHFFFAOYSA-N;136.15;0.61;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_C5";;;;;;;0.81;;-0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM419853;MM419853;CN1C(NN)=NC2CC21C;MOPRPEXTBRMQIM-UHFFFAOYSA-N;140.19;-0.72;;;;;DOPC;MDCG;27;1;"MARTINI bead: SP2_SP1";;;;;;;-1.06;;-7.31;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM419854;MM419854;CC1CC1CCC#CC=O;QQSVEPBWYWMJOH-UHFFFAOYSA-N;136.19;1.62;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC3_P1";;;;;;;1.74;;0.29;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM419855;MM419855;CC1OC1(C)C1NC1CN;HKGIAUNQBZPSRP-UHFFFAOYSA-N;142.2;-0.54;;;;;DOPC;MDCG;27;1;"MARTINI bead: SNa_SP2";;;;;;;-0.24;;-5.18;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM419856;MM419856;CCC=C(C)C(CN)CN;HNDKQVWFORTJGS-UHFFFAOYSA-N;142.25;0.88;;;;;DOPC;MDCG;27;1;"MARTINI bead: C1_P3";;;;;;;0.94;;-2.47;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM419857;MM419857;C#CC=CCC(=NC)NO;IXKFKXPTIZBIBL-UHFFFAOYSA-N;138.17;0.57;;;;;DOPC;MDCG;27;1;"MARTINI bead: P2_C4";;;;;;;1.09;;-1.83;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM419858;MM419858;O=CON=c1onc(O)o1;LBBIXUKTNVXZTR-UHFFFAOYSA-N;146.06;-1.04;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP3_P1";;;;;;;-1.93;;-9.04;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM419859;MM419859;C=CC1=CC2CC2(C)C1C;LUAHPPSAYDAZIV-UHFFFAOYSA-N;134.22;2.77;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC2_SC4";;;;;;;4.16;;0.44;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM419860;MM419860;CC1CC1CCC#CC#N;HRIZIOGDSCXXTL-UHFFFAOYSA-N;133.19;1.95;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC5_N0";;;;;;;1.94;;0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM419862;MM419862;CC(=CCF)C(CN)CN;JXBVRBUDEIKNDE-UHFFFAOYSA-N;146.21;0.44;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nda_P2";;;;;;;-0.24;;-6.02;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM419861;MM419861;CCC1OC1C1(C)OC1C;ABSCYCGEUOVXHH-UHFFFAOYSA-N;142.2;1.34;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNa_SNa";;;;;;;0.87;;-2.22;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM419863;MM419863;C#CC=CCC(=CC)OC;DIECRKBTSICWLS-UHFFFAOYSA-N;136.19;2.12;;;;;DOPC;MDCG;27;0;"MARTINI bead: C3_N0";;;;;;;2.87;;0.37;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM419864;MM419864;C=CCc1cc(C#N)[nH]n1;BWMJXEHIWYXGRM-UHFFFAOYSA-N;133.15;1.01;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNda_SNd";;;;;;;0.87;;-1.92;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM419865;MM419865;C=CC1=CC2CC2(N)C1C;PORRYNYVRJUJIJ-UHFFFAOYSA-N;135.21;1.47;;;;;DOPC;MDCG;27;1;"MARTINI bead: SC2_SNd";;;;;;;2.83;;-0.8;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM419866;MM419866;C=C(C)C(=O)CC1CN1C;UNHSBNVXGUNFGL-UHFFFAOYSA-N;139.2;0.84;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP1_Na";;;;;;;0.04;;-2.54;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM419867;MM419867;C#CC=CCC(=CF)OC;JUDGFRJLODGAKO-UHFFFAOYSA-N;140.16;2.02;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_N0";;;;;;;1.94;;0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM419868;MM419868;CC(=CCN)C(CN)CF;HFINDDXQXKYKRI-UHFFFAOYSA-N;146.21;0.44;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nda_P2";;;;;;;-0.24;;-6.1;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM419869;MM419869;CN1CC1(C)C1NC1CN;BLIWNXUZZOAOFC-UHFFFAOYSA-N;141.22;-1.01;;;;;DOPC;MDCG;27;1;"MARTINI bead: SNd_SP2";;;;;;;-0.24;;-5.1;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM419870;MM419870;Oc1onc(F)c1F;SVIWGZMKQMIOIF-UHFFFAOYSA-N;121.04;0.66;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNda_SNa";;;;;;;0.87;;-7.31;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM419871;MM419871;CC=NNC(C)(C#N)C=O;XKVJJXBSVQJQFB-UHFFFAOYSA-N;139.16;0.06;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nd_Na";;;;;;;0.87;;-1.88;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM419872;MM419872;C=CC1=NC2CC2(C)N1C;CTVJAXABAIRTIF-UHFFFAOYSA-N;136.2;1.05;;;;;DOPC;MDCG;27;1;"MARTINI bead: SNd_SP1";;;;;;;0.04;;-4.68;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM419873;MM419873;COc1nc(=N)nc(N)o1;SNLOJDRNMQIUOB-UHFFFAOYSA-N;142.12;-0.86;;;;;DOPC;MDCG;27;0;"MARTINI bead: P3_SP4";;;;;;;-3.15;;-6.87;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM419874;MM419874;CN1CC1(C)C1NC1CF;XQVTWXHUBHXLTB-UHFFFAOYSA-N;144.19;;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNd_SP1";;;;;;;0.04;;-2.63;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM419875;MM419875;CC(=CCF)C(CN)CF;YLZHEIMZYRFGMZ-UHFFFAOYSA-N;149.18;1.45;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nda_Na";;;;;;;0.87;;-4.68;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM419876;MM419876;C=CC#CCNC1CC1C;VOBLOKRGLGJMSY-UHFFFAOYSA-N;135.21;1.17;;;;;DOPC;MDCG;27;1;"MARTINI bead: SNd_C4";;;;;;;2.2;;-0.97;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM419877;MM419877;CC=C(F)C=COC=NN;FKVVGXPFDFIMNJ-UHFFFAOYSA-N;144.15;1.29;;;;;DOPC;MDCG;27;0;"MARTINI bead: C3_P1";;;;;;;1.74;;0.29;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM419878;MM419878;CN1C(C=O)=NC2CC21C;SWCWLWKADIMRLJ-UHFFFAOYSA-N;138.17;0.06;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP1_SP1";;;;;;;-0.79;;-3.13;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM419879;MM419879;C#CC=CCC(=NO)OC;MLVVXDADMOHABR-UHFFFAOYSA-N;139.15;1;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda_N0";;;;;;;1.17;;-1.13;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM419880;MM419880;CC(=CCN)C(CF)CF;ZAYCBERWGTXFGD-UHFFFAOYSA-N;149.18;1.45;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_Na";;;;;;;0.87;;-4.13;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM419881;MM419881;C=CC#CCNC1CC1N;NUVXXXSUBGCDDU-UHFFFAOYSA-N;136.2;-0.14;;;;;DOPC;MDCG;27;1;"MARTINI bead: SP3_C4";;;;;;;0.23;;-2.85;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM419882;MM419882;CN1CC1(C)C1OC1CN;RDMBFVKTQLVHEK-UHFFFAOYSA-N;142.2;-0.58;;;;;DOPC;MDCG;27;1;"MARTINI bead: SNd_SP2";;;;;;;-0.24;;-5.15;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM419883;MM419883;C=COc1cc(C#N)[nH]n1;JJARTEPXIXOVCR-UHFFFAOYSA-N;135.13;0.8;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNda_SNd";;;;;;;0.87;;-1.92;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM419884;MM419884;CN1C(C#N)=NC2CC21C;UPCMOIXYCUAWMB-UHFFFAOYSA-N;135.17;0.38;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP1_SP1";;;;;;;-0.79;;-3.13;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM419885;MM419885;C#CC=CN=C(CC)NC;CWPFZJOUDQERGW-UHFFFAOYSA-N;136.2;1.16;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_N0";;;;;;;1.17;;-4.89;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM419886;MM419886;NCC(CN)C(F)=CCF;FUWPAJWINAXKSV-UHFFFAOYSA-N;150.17;0.34;;;;;DOPC;MDCG;27;1;"MARTINI bead: P3_C5";;;;;;;-0.33;;-4.61;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM419887;MM419887;C=CC#CCOC1CC1C;JOVRFMXLFBJHPN-UHFFFAOYSA-N;136.19;1.6;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNa_C4";;;;;;;2.2;;0.34;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM419888;MM419888;CC(C)C(=NN)N(C)C=O;QPQLQGKCAKGLIF-UHFFFAOYSA-N;143.19;;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nd_P2";;;;;;;-0.24;;-3.16;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM419889;MM419889;C=CCc1cc(C=C)on1;UQKIPZTXPSZREA-UHFFFAOYSA-N;135.17;2.05;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC5_SN0";;;;;;;1.94;;0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM419890;MM419890;C=C1C(CC)=CC2CC12C;URQGAIBOGQTGGU-UHFFFAOYSA-N;134.22;2.92;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC1_SC4";;;;;;;4.24;;0.42;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM419891;MM419891;CCC=C(F)C(CN)CF;ULXPDPBZVJLTRL-UHFFFAOYSA-N;149.18;1.79;;;;;DOPC;MDCG;27;1;"MARTINI bead: C3_P1";;;;;;;1.74;;-1.93;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM419892;MM419892;C#CC=CNC(CC)=NN;ZCHSQXWASYTYEV-UHFFFAOYSA-N;137.19;0.41;;;;;DOPC;MDCG;27;1;"MARTINI bead: C5_Nd";;;;;;;1.64;;-1.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM419893;MM419893;CC1CC1OCC#CC=O;KJERNFXAXMOIRA-UHFFFAOYSA-N;138.17;0.61;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNa_C5";;;;;;;1.64;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM419894;MM419894;CCN1CC1C1(C)CC1N;CKZCLGSKWOHPOZ-UHFFFAOYSA-N;140.23;0.43;;;;;DOPC;MDCG;27;1;"MARTINI bead: SNd_SNd";;;;;;;0.87;;-4.09;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM419895;MM419895;C=Cc1cc(CC#N)no1;QDFWBCUYMPNMJO-UHFFFAOYSA-N;134.14;1.38;;;;;DOPC;MDCG;27;0;"MARTINI bead: SN0_SNa";;;;;;;1.17;;-1.18;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM419896;MM419896;C=C1C(CN)=CC2CC12C;JJKOOLMQKQLDHR-UHFFFAOYSA-N;135.21;1.47;;;;;DOPC;MDCG;27;1;"MARTINI bead: SC5_SNd";;;;;;;1.64;;-2.09;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM419897;MM419897;C=NNC=CC(=O)C=CN;BFXPMXJZFWXFGR-UHFFFAOYSA-N;139.16;-0.25;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda_P1";;;;;;;0.04;;-2.73;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM419898;MM419898;NCC(CF)C(F)=CCF;ZHCKWGZBPNVBOJ-UHFFFAOYSA-N;153.15;1.35;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1_C5";;;;;;;0.81;;-3.09;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM419899;MM419899;CC1CC1OCC#CC#N;YOFWDQLZDFSZGE-UHFFFAOYSA-N;135.17;0.94;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC5_Na";;;;;;;1.64;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM419900;MM419900;C=CCc1cc(C=O)on1;VRMSQGMOZNXADI-UHFFFAOYSA-N;137.14;1.22;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC5_SNa";;;;;;;1.64;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM419901;MM419901;CCN1CC1C1(N)CC1C;OTXYNMODHVIANH-UHFFFAOYSA-N;140.23;0.43;;;;;DOPC;MDCG;27;1;"MARTINI bead: SNd_SNd";;;;;;;0.87;;-4.22;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM419902;MM419902;NN=c1onnn(N)c1=O;FZHVLNZULOIERG-UHFFFAOYSA-N;144.09;-3.28;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP2_SP2";;;;;;;-1.34;;-4.31;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM419903;MM419903;NCC=C(F)C(CO)CO;SUBPONIWTLXAEB-UHFFFAOYSA-N;149.17;-0.6;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1_P2";;;;;;;-1.06;;-5.98;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM419904;MM419904;C#CC=CNC(CO)=NC;HPZRODAUPFUKFI-UHFFFAOYSA-N;138.17;-0.26;;;;;DOPC;MDCG;27;1;"MARTINI bead: P2_N0";;;;;;;0.06;;-4.28;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM419905;MM419905;N#CC#CCOC1CC1O;RGZPFRSNQSNVQR-UHFFFAOYSA-N;137.14;-0.34;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP2_N0";;;;;;;0.06;;-2.21;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM419906;MM419906;CCN1CC1C1(N)CC1N;HIHWKMYWRQOZJE-UHFFFAOYSA-N;141.22;-0.88;;;;;DOPC;MDCG;27;1;"MARTINI bead: SNd_SP3";;;;;;;-1.1;;-5.6;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM419907;MM419907;C=CCc1cc(C#N)on1;DYJPACDKTSYKIU-UHFFFAOYSA-N;134.14;1.27;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC5_SN0";;;;;;;1.94;;0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM419908;MM419908;C=C1C(CF)=CC2CC12C;UIWNDGJAYUDPLS-UHFFFAOYSA-N;138.19;2.48;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC5_SC5";;;;;;;2.41;;0.64;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM419909;MM419909;OCC=C(F)C(CO)CO;CYXUPXZDVWLDPB-UHFFFAOYSA-N;150.15;-0.57;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda_P3";;;;;;;-1.1;;-3.97;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM419910;MM419910;C=CC=NOC(C)=NNC;ILYIYBBTGUFYAA-UHFFFAOYSA-N;141.17;0.73;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nd_Na";;;;;;;0.87;;-1.88;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM419911;MM419911;CCN1CC1C1(F)CC1C;KHOSFLQPYKBFID-UHFFFAOYSA-N;143.21;1.44;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNd_SNa";;;;;;;0.87;;-1.88;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM419912;MM419912;N#CCc1cc(C=O)on1;RSFPNCYQHNHBMG-UHFFFAOYSA-N;136.11;0.55;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNa_SNa";;;;;;;0.87;;-2.22;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM419913;MM419913;C=CC#CCCC1OC1C;WPENUGMDUFPWMN-UHFFFAOYSA-N;136.19;1.74;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNa_C4";;;;;;;2.2;;0.34;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM419914;MM419914;C=C1C(CC)=CC2CC12N;TXZKRPMCUOHTKB-UHFFFAOYSA-N;135.21;1.61;;;;;DOPC;MDCG;27;1;"MARTINI bead: SC1_SNd";;;;;;;2.91;;-0.11;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM419915;MM419915;COC=C(C)C(CN)CN;MBDAYMNJOVKOBE-UHFFFAOYSA-N;144.22;0.07;;;;;DOPC;MDCG;27;1;"MARTINI bead: C5_P3";;;;;;;-0.33;;-4.68;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM419916;MM419916;C#CC=NOC(C)=NNC;MCBVIHNDKOGZNG-UHFFFAOYSA-N;139.16;0.17;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_N0";;;;;;;0.34;;-1.53;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM419917;MM419917;C#CC1NC1C(C)C(C)=O;CFMAYAQLDCPNIQ-UHFFFAOYSA-N;137.18;0.19;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP3_Na";;;;;;;-1.1;;-4.2;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM419918;MM419918;CC1OC1CCC#CC#N;SOOGRLABPKEDFF-UHFFFAOYSA-N;135.17;1.08;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNa_N0";;;;;;;1.17;;-1.18;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM419919;MM419919;N#CCc1cc(C#N)on1;VYYGPXALKFMFED-UHFFFAOYSA-N;133.11;0.61;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNa_SN0";;;;;;;1.17;;-1.18;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM419920;MM419920;C=C1C(CN)=CC2CC12N;URXLLJLZUCYUCF-UHFFFAOYSA-N;136.2;0.16;;;;;DOPC;MDCG;27;1;"MARTINI bead: SNd_SNd";;;;;;;0.87;;-4.65;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM419921;MM419921;COC=C(C)C(CO)CO;ACTUKJXIEUBXOY-UHFFFAOYSA-N;146.19;0.14;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_Nda";;;;;;;0.04;;-2.73;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM419922;MM419922;CN1CC1CCC#CC#N;BPSOKRRCDUUKNH-UHFFFAOYSA-N;134.18;0.61;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNd_N0";;;;;;;1.17;;-1.04;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM419923;MM419923;CCN1CC1C1(C)OC1C;OBOBODHONAZKKS-UHFFFAOYSA-N;141.21;0.87;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNd_SNa";;;;;;;0.87;;-1.88;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM419924;MM419924;C=NOCC=C(F)C(C)=O;ZAZZRDGMXMLCHP-UHFFFAOYSA-N;145.13;1.06;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_Na";;;;;;;0.87;;-2.22;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM419925;MM419925;C=COc1cc(C=C)on1;XRONJHDOOJPFLG-UHFFFAOYSA-N;137.14;1.84;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNa_SN0";;;;;;;1.17;;-1.18;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM419926;MM419926;C=C1C(CO)=CC2CC12N;WXADLLAVTQPYMY-UHFFFAOYSA-N;137.18;0.19;;;;;DOPC;MDCG;27;1;"MARTINI bead: SP1_SNda";;;;;;;0.04;;-4.7;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM419927;MM419927;CCC(CN)C(F)=COC;VBLKUYHMZFAAEC-UHFFFAOYSA-N;147.19;1.43;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_N0";;;;;;;1.17;;-3.72;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM419928;MM419928;CC1CC1(C)N1CC1CN;HKGOEJGTASUGGR-UHFFFAOYSA-N;140.23;0.43;;;;;DOPC;MDCG;27;1;"MARTINI bead: SNd_SP2";;;;;;;-0.24;;-5.1;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM419929;MM419929;C=CC#CCCN1CC1C;BVTSNLWOLZMMQV-UHFFFAOYSA-N;135.21;1.27;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNd_C4";;;;;;;2.2;;0.34;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM419930;MM419930;C#CC=COC(=CC)CC;BWUDQPVQUISWGQ-UHFFFAOYSA-N;136.19;2.46;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4_N0";;;;;;;2.5;;0.44;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM419931;MM419931;C=COc1cc(C#N)on1;DKHZENFRMFBYOK-UHFFFAOYSA-N;136.11;1.07;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNa_SN0";;;;;;;1.17;;-1.18;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM419932;MM419932;C=C1C(CF)=CC2CC12N;ZMDIDFWZVRIODU-UHFFFAOYSA-N;139.17;1.17;;;;;DOPC;MDCG;27;1;"MARTINI bead: SP1_SC5";;;;;;;0.81;;-2.76;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM419933;MM419933;COC=C(F)C(CN)CN;BRRNVMJTLWGRKT-UHFFFAOYSA-N;148.18;-0.02;;;;;DOPC;MDCG;27;1;"MARTINI bead: N0_P3";;;;;;;-0.8;;-5.57;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM419934;MM419934;CCC1CN1C1(C)CC1N;ZCJFWGAPLOFESP-UHFFFAOYSA-N;140.23;0.57;;;;;DOPC;MDCG;27;1;"MARTINI bead: SP1_SP2";;;;;;;-1.06;;-5.63;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM419935;MM419935;CC1CN1CCC#CC=O;ZJYPELOHKKCETR-UHFFFAOYSA-N;137.18;0.28;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNd_C5";;;;;;;1.64;;0.02;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM419936;MM419936;C#CC=COC(=CF)CC;CCXOTQYTMSYJHX-UHFFFAOYSA-N;140.16;2.37;;;;;DOPC;MDCG;27;0;"MARTINI bead: C3_Na";;;;;;;2.57;;0.45;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM419937;MM419937;C=CCc1coc(C=C)n1;AUFSFNDPMAMQAC-UHFFFAOYSA-N;135.17;2.05;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNa_SN0";;;;;;;1.17;;-1.18;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM419938;MM419938;CCn1nnc(=NN)n1N;GGCUYSNYYCHKTB-UHFFFAOYSA-N;143.15;-2.41;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP3_SP3";;;;;;;-3.07;;-6.15;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM419939;MM419939;COC=C(F)C(CN)CF;LTNSXBOKFJRYSX-UHFFFAOYSA-N;151.16;0.99;;;;;DOPC;MDCG;27;1;"MARTINI bead: N0_P1";;;;;;;0.34;;-4.13;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM419940;MM419940;CON(C=O)C(=O)C=NN;KBOMILKBRVQOOW-UHFFFAOYSA-N;145.12;-1.52;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_P1";;;;;;;-1.06;;-3.82;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM419941;MM419941;CC1CN1CCC#CC#N;GNZRECJFKMAOGJ-UHFFFAOYSA-N;134.18;0.61;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNd_N0";;;;;;;1.17;;-1.04;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM419942;MM419942;C#CC=COC(=CC)CN;QJBYQEWEGZLMFB-UHFFFAOYSA-N;137.18;1.01;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_Na";;;;;;;0.87;;-3.31;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM419943;MM419943;C=Cc1nc(CC#N)co1;CYEZBNNDGUGXCJ-UHFFFAOYSA-N;134.14;1.38;;;;;DOPC;MDCG;27;0;"MARTINI bead: SN0_SNa";;;;;;;1.17;;-1.18;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM419944;MM419944;CCC=C(C)C(CN)NC;OFLSEWXMAUEAEA-UHFFFAOYSA-N;142.25;0.89;;;;;DOPC;MDCG;27;1;"MARTINI bead: C1_P3";;;;;;;0.94;;-2.08;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM419945;MM419945;C=C1C(CO)=CC2CC12O;LAKXSHFTTRVGDN-UHFFFAOYSA-N;138.17;0.23;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNda_SNda";;;;;;;0.87;;-2.07;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM419946;MM419946;CC1CC1(C)C1CC1C=O;JIFYJWNKOTXSDN-UHFFFAOYSA-N;138.21;1.87;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC5_SNa";;;;;;;1.64;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM419947;MM419947;C#CC#CCCC1CC1C;GPGNIUXQBSRFQS-UHFFFAOYSA-N;132.21;2.06;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC5_C4";;;;;;;2.97;;0.45;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM419948;MM419948;C#CC=COC(=CC)CO;UQRHXGGVWJWYBU-UHFFFAOYSA-N;138.17;1.05;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda_Na";;;;;;;0.87;;-1.99;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM419949;MM419949;C=CCc1coc(C=O)n1;NZZIGIXSTYZFKG-UHFFFAOYSA-N;137.14;1.22;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNa_SP1";;;;;;;0.04;;-2.54;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM419950;MM419950;CNC(CN)C(C)=CCF;AFCSAUMZJKMLCW-UHFFFAOYSA-N;146.21;0.45;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nda_P2";;;;;;;-0.24;;-5.61;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM419951;MM419951;C=C1C(CO)=CC2CC12F;OZRVCFWFCQOYKE-UHFFFAOYSA-N;140.16;1.2;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNda_SC5";;;;;;;1.64;;0.05;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM419952;MM419952;CC1CC1(C)C1CC1C#N;VEZOUEHWRYXKEH-UHFFFAOYSA-N;135.21;2.19;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC5_SN0";;;;;;;1.94;;0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM419953;MM419953;C#CC#CCCC1CC1N;IPMBZENIPMQHPY-UHFFFAOYSA-N;133.19;0.75;;;;;DOPC;MDCG;27;1;"MARTINI bead: SP1_C2";;;;;;;2;;-1.26;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM419954;MM419954;C=CCc1coc(C#N)n1;NEQCJDFDGDRMPU-UHFFFAOYSA-N;134.14;1.27;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNa_SN0";;;;;;;1.17;;-1.18;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM419955;MM419955;C#CC=COC(=CF)CO;AMSIOIXYQZJYLJ-UHFFFAOYSA-N;142.13;0.95;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_Nda";;;;;;;0.87;;-1.99;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM419956;MM419956;CNC(CF)C(C)=CCN;PTFIHFAIGHCKTP-UHFFFAOYSA-N;146.21;0.45;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nda_P2";;;;;;;-0.24;;-5.57;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM419957;MM419957;C=C1C(CC)=CC2NC12C;BRAOMJKIGPTUBO-UHFFFAOYSA-N;135.21;1.62;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC1_SNd";;;;;;;2.91;;0.64;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM419958;MM419958;C=CC1CC1C1(N)CC1C;QWZAWQXDJKBCEL-UHFFFAOYSA-N;137.23;1.55;;;;;DOPC;MDCG;27;1;"MARTINI bead: SNd_SC4";;;;;;;2.2;;-2.36;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM419959;MM419959;CCC1=CCC(O)(CC)C1;QPIOZSBCORDYOS-UHFFFAOYSA-N;140.23;2.26;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC2_SC5";;;;;;;3.6;;0.34;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM419960;MM419960;N#CCc1coc(C=O)n1;SDAHWBQDUNMYQD-UHFFFAOYSA-N;136.11;0.55;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP1_SNa";;;;;;;0.04;;-2.54;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM419961;MM419961;C#CC=COC(CO)=NN;IVCDFSNBADUWQT-UHFFFAOYSA-N;140.14;-0.59;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_N0";;;;;;;0.06;;-2.21;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM419962;MM419962;CNC(CN)C(C)=COC;KAGMBTILDLKLLW-UHFFFAOYSA-N;144.22;0.08;;;;;DOPC;MDCG;27;1;"MARTINI bead: P3_C5";;;;;;;-0.33;;-4.18;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM419963;MM419963;C=C1C(CN)=CC2NC12C;WHBDJSFLBLUGDK-UHFFFAOYSA-N;136.2;0.17;;;;;DOPC;MDCG;27;1;"MARTINI bead: SP1_SNd";;;;;;;0.04;;-4.81;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM419964;MM419964;C=CC1CC1C1(N)CC1N;FKTKSSDLJBIYOD-UHFFFAOYSA-N;138.21;0.24;;;;;DOPC;MDCG;27;1;"MARTINI bead: SP3_SC4";;;;;;;0.23;;-3.27;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM419965;MM419965;C#CC#CCCC1CC1F;CMTHMSCOYXBOMT-UHFFFAOYSA-N;136.17;1.76;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNa_C4";;;;;;;2.2;;0.34;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM419966;MM419966;N#CCc1coc(C#N)n1;ULLKJTDQDUGLLY-UHFFFAOYSA-N;133.11;0.61;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNa_SN0";;;;;;;1.17;;-1.18;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM419967;MM419967;C#CCCCC1(O)CC1C;RLIJPELEQOQCEU-UHFFFAOYSA-N;138.21;1.56;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNda_C3";;;;;;;2.57;;0.44;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM419968;MM419968;COC(CO)C(F)=CCO;ZNPZDRDYGMZWGN-UHFFFAOYSA-N;150.15;-0.16;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_Nda";;;;;;;-0.24;;-3.31;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM419969;MM419969;C=Cn1nnc(=NN)n1N;BRYVIHIFFYMXNB-UHFFFAOYSA-N;141.14;-2.33;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP3_SP3";;;;;;;-3.07;;-6.15;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM419970;MM419970;C=NN(C=N)C(=O)C=NN;LKVWQOVJUGZUDW-UHFFFAOYSA-N;141.13;-1.02;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_P2";;;;;;;-1.06;;-3.82;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM419971;MM419971;C=Cc1nc(NC=N)co1;QQBRAAXEKDGRHP-UHFFFAOYSA-N;137.14;1.34;;;;;DOPC;MDCG;27;0;"MARTINI bead: SN0_SP2";;;;;;;0.06;;-2.21;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM419972;MM419972;C#CC#CCNC1CC1C;RWTORGPAIMXSCF-UHFFFAOYSA-N;133.19;0.62;;;;;DOPC;MDCG;27;1;"MARTINI bead: SNd_C4";;;;;;;2.2;;-0.71;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM419973;MM419973;COCOC(=CN)C(=O)O;SGIOMSYPSGJQSZ-UHFFFAOYSA-N;147.13;-0.51;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_P1";;;;;;;-0.79;;-7.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM419974;MM419974;COC(CO)C(F)=CCF;GTRRKIICQSYRIL-UHFFFAOYSA-N;152.14;0.82;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_C5";;;;;;;0.54;;-1.09;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM419975;MM419975;C=C1C(CC)=CC2OC12C;KWBJSAPNWHWITP-UHFFFAOYSA-N;136.19;2.05;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC1_SNa";;;;;;;2.91;;0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM419976;MM419976;C=CC1CC1C1(O)CC1N;PTABTOUVWWIUAY-UHFFFAOYSA-N;139.2;0.27;;;;;DOPC;MDCG;27;1;"MARTINI bead: SP2_SC4";;;;;;;1.09;;-2.3;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM419977;MM419977;C#CC#CCNC1CC1N;NXBAARZBQMWPOZ-UHFFFAOYSA-N;134.18;-0.69;;;;;DOPC;MDCG;27;1;"MARTINI bead: SP3_C4";;;;;;;0.23;;-2.83;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM419978;MM419978;C=CC(=CC)CC=CCC;NERJZPCFGOWJKJ-UHFFFAOYSA-N;136.24;3.48;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1_C1";;;;;;;4.95;;0.69;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM419979;MM419979;N#Cc1nc(NC=N)co1;OKVXRSIRUBFNQE-UHFFFAOYSA-N;136.11;0.57;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP2_SN0";;;;;;;0.06;;-2.21;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM419980;MM419980;C=CC1=CC2CC2(C)C1=C;REYKGIZZNBDSFN-UHFFFAOYSA-N;132.21;2.69;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC5_SC3";;;;;;;3.34;;0.48;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM419981;MM419981;CCC=C(C)C(OC)OC;LTNRUEYIFXGDFX-UHFFFAOYSA-N;144.21;1.96;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1_P1";;;;;;;2.08;;0.48;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM419982;MM419982;C=CC1CC1C1(O)CC1O;INYYOJRJGWFPTI-UHFFFAOYSA-N;140.18;0.3;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP2_SC4";;;;;;;1.09;;-0.38;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM419983;MM419983;C#CC#CCOC1CC1C;NUDDERICRPECRC-UHFFFAOYSA-N;134.18;1.05;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNa_C4";;;;;;;2.2;;0.34;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM419984;MM419984;C=COc1coc(C=C)n1;LYVZPHZIFZLKKO-UHFFFAOYSA-N;137.14;1.84;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNa_SN0";;;;;;;1.17;;-1.18;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM419985;MM419985;C=CC(=CC)CC=CCN;YPLBVVZQIGPSEI-UHFFFAOYSA-N;137.23;2.02;;;;;DOPC;MDCG;27;1;"MARTINI bead: C1_P1";;;;;;;2.08;;-0.65;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM419986;MM419986;C=C1C(C=O)=CC2CC12C;LPEVRLNVTIXSPR-UHFFFAOYSA-N;134.18;1.71;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC5_SC5";;;;;;;2.41;;0.64;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM419987;MM419987;COC(OC)C(C)=CCN;CSHCHWVFXVKRGC-UHFFFAOYSA-N;145.2;0.51;;;;;DOPC;MDCG;27;1;"MARTINI bead: Na_P2";;;;;;;-0.24;;-5.47;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM419988;MM419988;N#CC1CC1C1(O)CC1O;ZMSPMRNUWWWCAA-UHFFFAOYSA-N;139.15;-0.36;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP2_SN0";;;;;;;0.06;;-2.21;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM419989;MM419989;C#CC#CCCC1OC1C;MWUIALWFNDHJTE-UHFFFAOYSA-N;134.18;1.19;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNa_C4";;;;;;;2.2;;0.34;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM419990;MM419990;C=COc1coc(C=O)n1;WIKYVFTZAHJYAH-UHFFFAOYSA-N;139.11;1.01;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNa_SP1";;;;;;;0.04;;-2.54;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM419991;MM419991;C=C1C(C#N)=CC2CC12C;UUFNFTVIXURSAM-UHFFFAOYSA-N;131.18;2.03;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC5_SC5";;;;;;;2.41;;0.64;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM419992;MM419992;C=CC(=CC)CC=CCO;KPMCLBCNDARHLK-UHFFFAOYSA-N;138.21;2.06;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1_Nda";;;;;;;2.91;;0.57;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM419993;MM419993;COC(OC)C(C)=CCF;HMQBDYXLTNHVRV-UHFFFAOYSA-N;148.18;1.52;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_C4";;;;;;;1.37;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM419994;MM419994;CC1CC1(C)C1NC1C#N;BVJKZYLGZBYDPL-UHFFFAOYSA-N;136.2;0.9;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC5_SP2";;;;;;;0.54;;-1.09;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM419995;MM419995;C=COc1coc(C#N)n1;UMIHGPKGANACIU-UHFFFAOYSA-N;136.11;1.07;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNa_SN0";;;;;;;1.17;;-1.18;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM419996;MM419996;C#CC#CCCC1CN1C;WXCRQYOFGYLNDR-UHFFFAOYSA-N;133.19;0.72;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNd_C4";;;;;;;2.2;;0.34;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM419997;MM419997;C=C1C(C=O)=CC2CC12O;FKKSCWRCQCWPBV-UHFFFAOYSA-N;136.15;0.43;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP1_SC5";;;;;;;0.81;;-0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM419998;MM419998;C=CC(=CC)CC=CCF;CSABOQPCRPNWRP-UHFFFAOYSA-N;140.2;3.03;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1_C4";;;;;;;4.24;;0.42;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM419999;MM419999;C=CC1NC1C1(N)CC1C;CJPVHARYKLFLLW-UHFFFAOYSA-N;138.21;0.25;;;;;DOPC;MDCG;27;1;"MARTINI bead: SNd_SP1";;;;;;;0.04;;-4.73;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM420000;MM420000;COC=C(C)C(OC)OC;HSZBYJXFMDJUGZ-UHFFFAOYSA-N;146.19;1.16;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_P1";;;;;;;0.81;;-0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM420001;MM420001;C#CC#CCCN1CC1C;ITRHECNPFHNXQY-UHFFFAOYSA-N;133.19;0.72;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNd_C4";;;;;;;2.2;;0.33;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM420002;MM420002;C=CCc1noc(C=C)n1;CNVUBOMKKUMHJV-UHFFFAOYSA-N;136.15;1.44;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNa_SNa";;;;;;;0.87;;-2.22;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM420003;MM420003;C=C1C(C#N)=CC2CC12O;SBMXXPXCQGCFPE-UHFFFAOYSA-N;133.15;0.76;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP1_SC5";;;;;;;0.81;;-0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM420005;MM420005;C=CC1NC1C1(O)CC1N;CCEONXBXBBPTFB-UHFFFAOYSA-N;140.19;-1.03;;;;;DOPC;MDCG;27;1;"MARTINI bead: SP2_SP1";;;;;;;-1.06;;-5.45;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM420004;MM420004;C=CC(=CF)CC=CCN;WJOXYAVBZRXQJF-UHFFFAOYSA-N;141.19;1.93;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_C4";;;;;;;2.2;;-1.67;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM420006;MM420006;CNN(C)C(=O)CCF;OUFMTXAEKXZBTQ-UHFFFAOYSA-N;134.15;-0.06;;;;;DOPC;MDCG;27;0;"MARTINI bead: P3_C5";;;;;;;-0.33;;-2.01;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM420007;MM420007;CCCC=CCC1CC1C;QYNMMUPJPKANCK-UHFFFAOYSA-N;138.25;3.39;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1_SC5";;;;;;;3.68;;0.46;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM420008;MM420008;C=C1C(C#N)=CC2CC12F;IZYCDBMAFRFBAT-UHFFFAOYSA-N;135.14;1.73;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNa_SC5";;;;;;;1.64;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM420009;MM420009;C=Cc1nc(CC#N)no1;XSLZJMCDPHEBBH-UHFFFAOYSA-N;135.13;0.78;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNa_SNa";;;;;;;0.87;;-2.22;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM420010;MM420010;CCOC(=O)C(CC)=NN;VZSKSDMKMADOSU-UHFFFAOYSA-N;144.17;0.27;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_Nd";;;;;;;0.87;;-1.88;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM420011;MM420011;C=NOC(=NN)OCC;DYMFUEGVOKQIBT-UHFFFAOYSA-N;131.14;-0.12;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_P1";;;;;;;0.81;;-0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM420012;MM420012;CC=C(C#N)CC=CCC;OJPICBKHBGSJIH-UHFFFAOYSA-N;135.21;2.81;;;;;DOPC;MDCG;27;0;"MARTINI bead: C3_C5";;;;;;;3.34;;0.48;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM420013;MM420013;C#CC1=CC2CC2(C)C1=C;QUDOYJLAWHFCKB-UHFFFAOYSA-N;130.19;2.14;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC5_SC5";;;;;;;2.41;;0.64;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM420014;MM420014;CC1CC1CC=CCCN;LHARHHKQPAMNQS-UHFFFAOYSA-N;139.24;1.94;;;;;DOPC;MDCG;27;1;"MARTINI bead: SC3_Nd";;;;;;;2.57;;-1.48;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM420015;MM420015;C=CCc1noc(C=O)n1;OOLFPJWMODZOON-UHFFFAOYSA-N;138.13;0.61;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNa_SP1";;;;;;;0.04;;-2.54;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM420016;MM420016;C=CC1NC1C1(F)CC1C;VSIQITKRIJTQSK-UHFFFAOYSA-N;141.19;1.26;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNa_SP1";;;;;;;0.04;;-2.54;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM420017;MM420017;CNN=C(C)C(CF)CF;UOWCWFDKHHFUNA-UHFFFAOYSA-N;150.17;1.14;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nd_Na";;;;;;;0.87;;-1.88;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM420018;MM420018;CC=C(C=O)CC=CCO;TZIQSJHEEJKKLZ-UHFFFAOYSA-N;140.18;1.07;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_Nda";;;;;;;0.87;;-1.99;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM420019;MM420019;NCCC=CCC1CC1N;BZUKUIVQNZCDGJ-UHFFFAOYSA-N;140.23;0.63;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_SNd";;;;;;;0.87;;-5.11;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM420020;MM420020;C#CC1=CC2CC2(N)C1=C;UEGKQLDRESHBMO-UHFFFAOYSA-N;131.18;0.83;;;;;DOPC;MDCG;27;1;"MARTINI bead: SP1_SC5";;;;;;;0.81;;-2.74;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM420021;MM420021;C=CCc1noc(C#N)n1;KPNZSTLNQVUZDV-UHFFFAOYSA-N;135.13;0.67;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNa_SP1";;;;;;;0.04;;-2.54;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM420022;MM420022;C=COC(=O)C(CC)=NN;MBDACLSDWDTFEJ-UHFFFAOYSA-N;142.16;0.4;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nd_Na";;;;;;;0.87;;-1.88;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM420023;MM420023;CC=C(C#N)CC=CCO;KWDOEEVPVYNRAR-UHFFFAOYSA-N;137.18;1.39;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_Nda";;;;;;;1.64;;0.05;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM420024;MM420024;CON=C(C)C(CN)CF;DQMZHFQLSKNGBK-UHFFFAOYSA-N;148.18;0.55;;;;;DOPC;MDCG;27;1;"MARTINI bead: P2_Nda";;;;;;;-0.24;;-5.64;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM420025;MM420025;N#CC(CF)NC(=N)C=O;PJGAPBZIOPUGCD-UHFFFAOYSA-N;143.12;-0.39;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_P2";;;;;;;-0.24;;-3.24;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM420026;MM420026;N#CCc1noc(C=O)n1;PEQRQBGCJTXWJP-UHFFFAOYSA-N;137.1;-0.05;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP1_SNa";;;;;;;0.04;;-2.54;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM420027;MM420027;C#CC1CC1C(O)CCC;SCROADQBVZJZKO-UHFFFAOYSA-N;138.21;1.42;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda_SC5";;;;;;;1.64;;0.05;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM420028;MM420028;CC1CC1(F)C1NC1C#N;NVTHQYBWFJVAHX-UHFFFAOYSA-N;140.16;0.6;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNa_SP2";;;;;;;-0.24;;-3.24;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM420029;MM420029;Cc1[nH]c(C)c(N)c1C;DSZCXYPLFCIWMF-UHFFFAOYSA-N;124.19;1.52;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNd_SNd";;;;;;;0.87;;-2.11;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM420030;MM420030;CC=C(C=O)CC=CCF;CQBZOMIMVZGVPW-UHFFFAOYSA-N;142.17;2.05;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_C4";;;;;;;2.2;;0.34;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM420031;MM420031;CCCC=CCC1CC1F;OLBTYQOOWVCCFG-UHFFFAOYSA-N;142.22;3.09;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1_SNa";;;;;;;2.91;;0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM420032;MM420032;N#CCc1noc(C#N)n1;ACDLKOGURWISEN-UHFFFAOYSA-N;134.1;0.01;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNa_SP1";;;;;;;0.04;;-2.54;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM420033;MM420033;C#CC1=CC2CC2(F)C1=C;ZMBVJYXBIVTVBQ-UHFFFAOYSA-N;134.15;1.84;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNa_SC5";;;;;;;1.64;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM420034;MM420034;CCC(OC)C(C)=NNC;VLYVXDDBMJHURJ-UHFFFAOYSA-N;144.22;1.01;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_Nd";;;;;;;0.87;;-1.88;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM420035;MM420035;C=CC1OC1C1(C)CC1C;BZFPVLMDWWOIGL-UHFFFAOYSA-N;138.21;1.99;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC5_SNa";;;;;;;1.64;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM420036;MM420036;CC=C(C#N)CC=CCF;GJJXCUGICILTRY-UHFFFAOYSA-N;139.17;2.37;;;;;DOPC;MDCG;27;0;"MARTINI bead: N0_C4";;;;;;;2.5;;0.44;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM420037;MM420037;NN=COC=CC(F)=CF;QCHDVPAVEQLAAY-UHFFFAOYSA-N;148.11;1.2;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_C5";;;;;;;0.81;;-0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM420038;MM420038;CNCC=CCC1CC1C;AOOHONKXTSUDJZ-UHFFFAOYSA-N;139.24;1.81;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_SC5";;;;;;;1.64;;-2.23;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM420039;MM420039;CCN(CC)C(C)=NNC;JQMLHVXSKHNEBF-UHFFFAOYSA-N;143.23;0.88;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_Nd";;;;;;;0.87;;-4.16;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM420040;MM420040;CN1CC(CN)C2CC21C;XEALBIFRZJAIHH-UHFFFAOYSA-N;140.23;0.29;;;;;DOPC;MDCG;27;1;"MARTINI bead: SP2_SNd";;;;;;;-0.24;;-5.89;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM420041;MM420041;C=CC1OC1C1(C)CC1N;AOVLEBLTPJOANK-UHFFFAOYSA-N;139.2;0.68;;;;;DOPC;MDCG;27;1;"MARTINI bead: SNd_SNa";;;;;;;0.87;;-4.13;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM420042;MM420042;CCC=CCC(C=O)=CN;VYFXKEGSZIMLKH-UHFFFAOYSA-N;139.2;1.38;;;;;DOPC;MDCG;27;0;"MARTINI bead: C3_P1";;;;;;;1.74;;0.29;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM420043;MM420043;C=COc1noc(C#N)n1;LITBSMOIDCLYOB-UHFFFAOYSA-N;137.1;0.46;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNa_SP1";;;;;;;0.04;;-2.54;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM420044;MM420044;CNCC=CCC1CC1N;XKGJGGAXVDLFOK-UHFFFAOYSA-N;140.23;0.5;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_SNd";;;;;;;0.87;;-4.93;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM420045;MM420045;C=CC=C(C)C(CN)CN;VNNGHOBGVNVNFF-UHFFFAOYSA-N;140.23;0.65;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1_N0";;;;;;;0.34;;-4.26;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM420046;MM420046;CC1(C2OC2C=O)CC1O;OKKOYDCYSWQHDH-UHFFFAOYSA-N;142.15;-0.28;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNda_SP2";;;;;;;-0.24;;-3.31;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM420047;MM420047;CCN1CC(C)C2(N)CC12;KNBUECWHTHZRJQ-UHFFFAOYSA-N;140.23;0.43;;;;;DOPC;MDCG;27;1;"MARTINI bead: SNd_SP2";;;;;;;-0.24;;-5.44;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM420048;MM420048;CCC=CCC(C#N)=CN;APSHIGFAZSSZNV-UHFFFAOYSA-N;136.2;1.71;;;;;DOPC;MDCG;27;0;"MARTINI bead: C3_P1";;;;;;;1.74;;0.29;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM420049;MM420049;C#CCC1=CCC(C=C)=C1;ZKDKKJQRQXEYMU-UHFFFAOYSA-N;130.19;2.45;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC4_SC4";;;;;;;3.53;;0.53;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM420050;MM420050;COCC=CCC1CC1N;GFYLRHPGKJITOH-UHFFFAOYSA-N;141.21;0.93;;;;;DOPC;MDCG;27;1;"MARTINI bead: Na_SNd";;;;;;;0.87;;-4.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM420051;MM420051;C=CC=C(C)C(CN)CF;WTOJFLCORUPOFK-UHFFFAOYSA-N;143.21;1.66;;;;;DOPC;MDCG;27;1;"MARTINI bead: C1_P1";;;;;;;2.08;;-1.07;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM420052;MM420052;C=CC1CN(C)C2(C)CC12;AQXAVLSMURLWSA-UHFFFAOYSA-N;137.23;1.51;;;;;DOPC;MDCG;27;1;"MARTINI bead: SN0_SNd";;;;;;;1.17;;-3.81;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM420053;MM420053;C=CC1OC1C1(N)CC1C;BYMUVWVSINKQEH-UHFFFAOYSA-N;139.2;0.68;;;;;DOPC;MDCG;27;1;"MARTINI bead: SNd_SNa";;;;;;;0.87;;-4.04;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM420054;MM420054;NC=C(C=O)CC=CCO;UMRAQFNXYDOQTF-UHFFFAOYSA-N;141.17;-0.03;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_Nda";;;;;;;-0.24;;-3.31;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM420055;MM420055;C=NNC=NCC(=O)OC;IIYWINSBKRMKPK-UHFFFAOYSA-N;143.15;-0.61;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_P2";;;;;;;-0.24;;-3.24;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM420056;MM420056;C#CCC1=CCC(C=O)=C1;JREUSUNKSSODKK-UHFFFAOYSA-N;132.16;1.47;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNa_SC4";;;;;;;2.2;;0.34;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM420057;MM420057;CC(=CC#N)C(CO)CO;HAXOENRSAHPHQS-UHFFFAOYSA-N;141.17;0.06;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda_P2";;;;;;;-0.24;;-3.31;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM420058;MM420058;CN1CC(C=O)C2CC21C;RGOGNGBYSCNOCS-UHFFFAOYSA-N;139.2;0.53;;;;;DOPC;MDCG;27;1;"MARTINI bead: SP2_SNd";;;;;;;-0.24;;-4.71;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM420059;MM420059;CC1CC1(O)C1OC1C=O;TUUOKBDIMHTCKV-UHFFFAOYSA-N;142.15;-0.28;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNda_SP2";;;;;;;-0.24;;-3.31;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM420060;MM420060;CCC=CCC(C#N)=CF;GLHRMULAPOEXFA-UHFFFAOYSA-N;139.17;2.72;;;;;DOPC;MDCG;27;0;"MARTINI bead: C3_Na";;;;;;;2.57;;0.45;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM420061;MM420061;CCOC=CCC1CC1N;YSZUAXQRFLWPPH-UHFFFAOYSA-N;141.21;1.27;;;;;DOPC;MDCG;27;1;"MARTINI bead: C5_SNd";;;;;;;1.64;;-2.53;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM420062;MM420062;C#CCC1=CCC(C#N)=C1;ITNALUVJRZTQHF-UHFFFAOYSA-N;129.16;1.79;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC4_SN0";;;;;;;2.5;;0.44;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM420063;MM420063;CCC(CC)C(F)=CC=O;UZOZCABNNSMVKF-UHFFFAOYSA-N;144.19;2.47;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1_Na";;;;;;;2.91;;0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM420064;MM420064;C#CC1CN(C)C2(C)CC12;GRGPGWCYLKLVBD-UHFFFAOYSA-N;135.21;0.96;;;;;DOPC;MDCG;27;1;"MARTINI bead: SP1_SNd";;;;;;;0.04;;-4.84;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM420065;MM420065;C=CC1OC1C1(O)CC1O;VBRPWGQSKNSBOL-UHFFFAOYSA-N;142.15;-0.56;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP2_SNa";;;;;;;-0.24;;-3.24;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM420066;MM420066;CC=C(C#N)CC=COC;VTGRXRWHOOXPGS-UHFFFAOYSA-N;137.18;2.01;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_C5";;;;;;;1.64;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM420067;MM420067;C=C(N=CNN=CC)OC;QUKPPKBZHMDBSF-UHFFFAOYSA-N;141.17;0.73;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_Nd";;;;;;;0.87;;-1.88;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM420068;MM420068;C#CCc1c[nH]c(C=C)c1;GHMLZXKUDNXPTQ-UHFFFAOYSA-N;131.18;1.83;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNd_SN0";;;;;;;1.17;;-1.04;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM420069;MM420069;C=CC=C(F)C(CN)CN;UNMOAOZYPMDMFY-UHFFFAOYSA-N;144.19;0.56;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nda_P2";;;;;;;-0.24;;-5.94;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM420070;MM420070;O=CC1OC1C1(O)CC1O;ZTTFQFXXUQHXAJ-UHFFFAOYSA-N;144.13;-1.55;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP2_SP2";;;;;;;-1.34;;-4.31;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM420071;MM420071;C=C1CN(CC)C2CC12N;YCFYECRAGCPFQS-UHFFFAOYSA-N;138.21;0.35;;;;;DOPC;MDCG;27;1;"MARTINI bead: SNd_SP2";;;;;;;-0.24;;-4.73;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM420072;MM420072;COC=CCC(C=O)=CF;WSRMGUIKPFOAOQ-UHFFFAOYSA-N;144.15;1.59;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_Na";;;;;;;0.87;;-2.22;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM420073;MM420073;CC1CC1N=CNCCN;PBSZRWWWFVGLTQ-UHFFFAOYSA-N;141.22;-0.03;;;;;DOPC;MDCG;27;1;"MARTINI bead: SP1_P3";;;;;;;-1.93;;-7.5;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM420074;MM420074;C#CCc1c[nH]c(C#N)c1;ZGLWHYJEFKBKCV-UHFFFAOYSA-N;130.15;1.06;;;;;DOPC;MDCG;27;0;"MARTINI bead: SN0_SNd";;;;;;;1.17;;-1.04;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM420075;MM420075;C=CC=C(F)C(CN)CO;IRLOGWQECINHMB-UHFFFAOYSA-N;145.18;0.59;;;;;DOPC;MDCG;27;1;"MARTINI bead: P3_C4";;;;;;;0.23;;-3.32;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM420076;MM420076;C=CC1OC1C1(F)CC1C;MSEDJXRNMQXUNY-UHFFFAOYSA-N;142.17;1.69;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNa_SNa";;;;;;;0.87;;-2.22;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM420077;MM420077;C=C1CN(C=N)C2CC12N;PSQHYRVLAVQYOU-UHFFFAOYSA-N;137.19;-0.06;;;;;DOPC;MDCG;27;1;"MARTINI bead: SNd_SP1";;;;;;;0.04;;-5.45;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM420078;MM420078;COC=CCC(C#N)=CF;JHOMSXFIMKGYDP-UHFFFAOYSA-N;141.15;1.91;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_Na";;;;;;;0.87;;-2.22;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM420079;MM420079;CCCC=COC1CC1C;KNQYJAPOWXCRMP-UHFFFAOYSA-N;140.23;2.73;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1_SNa";;;;;;;2.91;;0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM420080;MM420080;C#CCc1coc(C=C)c1;BVWVDHAYGKUASP-UHFFFAOYSA-N;132.16;2.1;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC5_SC5";;;;;;;2.41;;0.64;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM420081;MM420081;C=CC=C(F)C(CN)CF;RWBGCLWTTAZFCW-UHFFFAOYSA-N;147.17;1.57;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1_C4";;;;;;;1.37;;-2.55;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM420082;MM420082;C=C1CN(C=O)C2CC12N;QVTBZXQLTWCCLT-UHFFFAOYSA-N;138.17;-0.52;;;;;DOPC;MDCG;27;1;"MARTINI bead: SNd_SP1";;;;;;;0.04;;-3.91;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM420083;MM420083;CC1CC1(F)C1OC1C=O;BFCSFUNLOUQKFS-UHFFFAOYSA-N;144.15;0.7;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNa_SP2";;;;;;;-0.24;;-3.24;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM420084;MM420084;C=CC(=CC)CC=NNC;AQUOFNDDTOYCCG-UHFFFAOYSA-N;138.21;1.71;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_C1";;;;;;;1.8;;0.4;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM420085;MM420085;CNCC=COC1CC1C;QXABPFCFCCFGEI-UHFFFAOYSA-N;141.21;1.14;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_SNa";;;;;;;0.87;;-3.97;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM420086;MM420086;C#CCc1coc(C=O)c1;MTWPVKSBEORGDE-UHFFFAOYSA-N;134.13;1.27;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNa_SC5";;;;;;;1.64;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM420087;MM420087;O=CC=C(F)C(CO)CO;KTXMZHCRYFFLRI-UHFFFAOYSA-N;148.13;-0.36;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_Na";;;;;;;-0.24;;-3.24;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM420088;MM420088;N=CN1CC(=O)C2(O)CC12;SCZBRUABJXQROL-UHFFFAOYSA-N;140.14;-1.02;;;;;DOPC;MDCG;27;1;"MARTINI bead: SP2_SP1";;;;;;;-1.06;;-5.34;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM420089;MM420089;CC1NC1(C)C1NC1C#N;SLAXGUCWQXWQKJ-UHFFFAOYSA-N;137.19;-0.4;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP1_SP2";;;;;;;-1.06;;-3.82;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM420090;MM420090;CC=C(C=O)CC=NNC;BYHHHRDNWBIWHL-UHFFFAOYSA-N;140.19;0.73;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nd_Na";;;;;;;0.87;;-1.88;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM420091;MM420091;CCCC=NOC1CC1C;YEOOQCBVXXYUGL-UHFFFAOYSA-N;141.21;2.2;;;;;DOPC;MDCG;27;0;"MARTINI bead: N0_SNa";;;;;;;1.17;;-1.18;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM420092;MM420092;C#CCc1coc(C#N)c1;UXRXBLWDVZXVFL-UHFFFAOYSA-N;131.13;1.33;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC5_SN0";;;;;;;1.94;;0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM420093;MM420093;C=CC=C(C)C(CN)NC;CTBCSARLIVZVBW-UHFFFAOYSA-N;140.23;0.67;;;;;DOPC;MDCG;27;1;"MARTINI bead: C5_P2";;;;;;;0.54;;-3.41;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM420094;MM420094;C=CC1CC1C1(C)OC1C;WWPIOYXLHKGAQI-UHFFFAOYSA-N;138.21;1.99;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNa_SC4";;;;;;;2.2;;0.34;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM420095;MM420095;N=CN1NC(=N)C2(N)CC12;NRCFLMSIYSVKRM-UHFFFAOYSA-N;139.16;-1.14;;;;;DOPC;MDCG;27;1;"MARTINI bead: SP2_SP3";;;;;;;-2.2;;-6.35;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM420096;MM420096;CCOC=NOC1CC1C;ROYDXTKGUXTPKN-UHFFFAOYSA-N;143.19;1.39;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_SC5";;;;;;;1.64;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM420097;MM420097;CC=C(C#N)CC=NNC;UXIVSSFTFKSCJC-UHFFFAOYSA-N;137.19;1.05;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nd_N0";;;;;;;1.17;;-1.04;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM420098;MM420098;CC(C=COC=NN)=NN;URZPBGVPDSIIAZ-UHFFFAOYSA-N;142.16;-0.25;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nd_Nda";;;;;;;0.87;;-1.92;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM420099;MM420099;CNC(CO)C(C)=CC=O;MWMKGNAYRAJWOD-UHFFFAOYSA-N;143.19;-0.29;;;;;DOPC;MDCG;27;1;"MARTINI bead: P2_Na";;;;;;;-0.24;;-4.88;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM420100;MM420100;C=CC1NC1C1(C)OC1C;KNOFPPWUTGMHRQ-UHFFFAOYSA-N;139.2;0.69;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNa_SP1";;;;;;;0.04;;-2.54;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM420101;MM420101;C#CC1CC(=C)C2(N)CC12;DFBNKGAUINKTCD-UHFFFAOYSA-N;133.19;0.91;;;;;DOPC;MDCG;27;1;"MARTINI bead: SNd_SC4";;;;;;;2.2;;-1.77;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM420102;MM420102;CNN=c1cc(N)n(N)o1;KSVJJHUVHXEIIE-UHFFFAOYSA-N;143.15;-1.59;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNd_SP2";;;;;;;-0.24;;-3.16;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM420103;MM420103;CCOC=NOC1CC1N;ONSWDPUNWJOVEB-UHFFFAOYSA-N;144.17;0.08;;;;;DOPC;MDCG;27;1;"MARTINI bead: Na_SP1";;;;;;;0.04;;-3.78;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM420104;MM420104;N#CC(=CN)CC(=O)O;YXYGSPUXAKNHQG-UHFFFAOYSA-N;126.12;-0.17;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_P1";;;;;;;-0.79;;-8.36;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM420105;MM420105;CC1OC1(C)C1OC1C=O;WREWHATWUGYYFF-UHFFFAOYSA-N;142.15;0.13;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNa_SP2";;;;;;;-0.24;;-3.24;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM420106;MM420106;C#CCC=NNC=NOC;LDRJEWVEOXKIQT-UHFFFAOYSA-N;139.16;0.17;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_N0";;;;;;;0.34;;-1.53;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM420107;MM420107;CCC(OC)C(N)=CC=O;VOESURZLNPPHGN-UHFFFAOYSA-N;143.19;0.45;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda_Na";;;;;;;0.87;;-1.99;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM420108;MM420108;CNCC=CCC1NC1C;PFNJUADPYFNVMQ-UHFFFAOYSA-N;140.23;0.51;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_SP1";;;;;;;0.04;;-4.97;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM420109;MM420109;C=CC(=CC)CC=NOC;NTBCVNFLZZFDCR-UHFFFAOYSA-N;139.2;2.14;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_C1";;;;;;;2.91;;0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM420110;MM420110;C#CCc1cc(C#N)[nH]n1;XVQJARFBHOCEGR-UHFFFAOYSA-N;131.14;0.46;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNda_SNd";;;;;;;0.87;;-1.92;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM420111;MM420111;COC(CO)C(F)=CC=O;VQLOZOFIRIOVDO-UHFFFAOYSA-N;148.13;0.05;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_Na";;;;;;;0.04;;-2.54;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM420112;MM420112;C=COC(=O)C(C=C)=NN;JNBBJEWCABTXOG-UHFFFAOYSA-N;140.14;0.17;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nd_Na";;;;;;;0.87;;-1.88;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM420113;MM420113;C=NNC=CC=NN=CC;VWYNEEGJZVIDRN-UHFFFAOYSA-N;138.17;0.78;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_Nd";;;;;;;1.64;;0.02;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM420114;MM420114;CCCC=CCC1OC1C;OZJXRYCXPXDURZ-UHFFFAOYSA-N;140.23;2.52;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1_SNa";;;;;;;2.91;;0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM420115;MM420115;C#CCc1cc(C=C)on1;BNGFOJNLFXBGOP-UHFFFAOYSA-N;133.15;1.49;;;;;DOPC;MDCG;27;0;"MARTINI bead: SN0_SNa";;;;;;;1.17;;-1.18;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM420116;MM420116;C=CC(=CF)CC=NOC;SGEQZRDZJYPYEE-UHFFFAOYSA-N;143.16;2.05;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_C4";;;;;;;2.2;;0.34;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM420117;MM420117;COC(CF)C(F)=CC#N;GJRXSUSPPNWVAR-UHFFFAOYSA-N;147.12;1.35;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_Na";;;;;;;0.87;;-2.22;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM420118;MM420118;CN1CC1(C)C1NC1C#N;OCQIEZPSJDQPHT-UHFFFAOYSA-N;137.19;-0.45;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNd_SP2";;;;;;;-0.24;;-3.16;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM420119;MM420119;C=C1CC(=CC)C2CC12C;GXCLCVFAIZXTSU-UHFFFAOYSA-N;134.22;2.92;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC1_SC4";;;;;;;4.24;;0.42;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM420120;MM420120;CNCC=CCC1CN1C;SHELGKHJFAIZGD-UHFFFAOYSA-N;140.23;0.47;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_SNd";;;;;;;0.87;;-4.45;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM420121;MM420121;C#CCc1cc(C=O)on1;CVFUWDAQWHCHAA-UHFFFAOYSA-N;135.12;0.66;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNa_SNa";;;;;;;0.87;;-2.22;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM420122;MM420122;CC=C(C#N)CC=NOC;TWCCILLQMFKEJM-UHFFFAOYSA-N;138.17;1.48;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_N0";;;;;;;1.17;;-1.18;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM420123;MM420123;C=CC=C(C)C(OC)OC;CWQGQKXLHJWCTI-UHFFFAOYSA-N;142.2;1.74;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_C1";;;;;;;2.08;;0.48;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM420124;MM420124;C=CC1OC1C1(C)CN1C;ODLOVZLPRPSWKS-UHFFFAOYSA-N;139.2;0.64;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNd_SNa";;;;;;;0.87;;-1.88;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM420125;MM420125;C=C1CC(=CF)C2CC12C;FJQCRJVYUBQIQC-UHFFFAOYSA-N;138.19;2.83;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC4_SC4";;;;;;;3.53;;0.53;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM420126;MM420126;CCOC=CCC1CN1C;HEKPSDUGQACZMV-UHFFFAOYSA-N;141.21;1.24;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_SNd";;;;;;;1.64;;0.03;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM420127;MM420127;Cn1oc(N)nc(=O)c1=N;ODUGCNDXRWDZRK-UHFFFAOYSA-N;142.12;-1.57;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP3_SP3";;;;;;;-3.07;;-6.15;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM420128;MM420128;COC(OC)C(N)=CC=O;WFYMKSXPGGAALE-UHFFFAOYSA-N;145.16;-0.35;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_Na";;;;;;;-0.24;;-3.24;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM420129;MM420129;C#CCc1cc(C#N)on1;ADLZRSGAYVTKRK-UHFFFAOYSA-N;132.12;0.72;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNa_SN0";;;;;;;1.17;;-1.18;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM420130;MM420130;CCCC1=CC(=NN)CC1;VSVUWUXLJVMKRG-UHFFFAOYSA-N;138.21;1.82;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC1_SNd";;;;;;;2.91;;0.63;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM420131;MM420131;CC=C1CC(=O)C2(C)CC12;FDQKKDCCAQVNJF-UHFFFAOYSA-N;136.19;1.93;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC1_SNa";;;;;;;2.91;;0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM420132;MM420132;C#CCc1coc(C=C)n1;YZONUAGPMXLRRT-UHFFFAOYSA-N;133.15;1.49;;;;;DOPC;MDCG;27;0;"MARTINI bead: SN0_SNa";;;;;;;1.17;;-1.18;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM420133;MM420133;C=NN=C(C)C(CC)CC;MQBIWSKAJQMMHL-UHFFFAOYSA-N;140.23;2.5;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1_C5";;;;;;;3.68;;0.46;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM420134;MM420134;C=CC(CC=CCC)=NN;USMWZDRWPQWELG-UHFFFAOYSA-N;138.21;1.84;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1_Nd";;;;;;;2.91;;0.63;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM420135;MM420135;CCCC=CCN1CC1C;FFYIYEVRVXIKQR-UHFFFAOYSA-N;139.24;2.05;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1_SNd";;;;;;;2.91;;0.65;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM420136;MM420136;CC1CC1(C)C1CN1C=N;XPJFBHGEKMMEGW-UHFFFAOYSA-N;138.21;1.32;;;;;DOPC;MDCG;27;1;"MARTINI bead: SC5_SP2";;;;;;;0.54;;-4.2;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM420137;MM420137;CC12CC1C(=CF)CC2=O;OHLPCFDFFXLYBK-UHFFFAOYSA-N;140.16;1.84;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNa_SC4";;;;;;;2.2;;0.34;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM420138;MM420138;C#CCc1coc(C=O)n1;HFVCNKHSQQKYTI-UHFFFAOYSA-N;135.12;0.66;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP1_SNa";;;;;;;0.04;;-2.54;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM420139;MM420139;CNCC=CCN1CC1C;IYKGNYLZCVDRET-UHFFFAOYSA-N;140.23;0.47;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_SNd";;;;;;;0.87;;-4.45;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM420140;MM420140;C=NN=C(C)C(CC)CN;AVYQCUJCEVTKQT-UHFFFAOYSA-N;141.22;1.05;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_C5";;;;;;;1.64;;-2.32;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM420141;MM420141;CC1CC1(C)C1CN1C=O;XASWBVYBCFOZGE-UHFFFAOYSA-N;139.2;0.87;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC5_SP2";;;;;;;0.54;;-1.09;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM420142;MM420142;C=CC(CC=CCF)=NN;LTWQVAYJWINSMO-UHFFFAOYSA-N;142.18;1.4;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_Na";;;;;;;1.64;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM420143;MM420143;C=C1CC(=CC)C2CC12N;HBALHGHFQLOUEX-UHFFFAOYSA-N;135.21;1.61;;;;;DOPC;MDCG;27;1;"MARTINI bead: SC1_SNd";;;;;;;2.91;;-0.13;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM420144;MM420144;CC1CC1CC=CCC=O;SDKRQLHHFLZMDY-UHFFFAOYSA-N;138.21;2.18;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC3_Na";;;;;;;2.57;;0.45;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM420145;MM420145;C#CCc1coc(C#N)n1;XHMIVOPWJIIOLD-UHFFFAOYSA-N;132.12;0.72;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNa_SN0";;;;;;;1.17;;-1.18;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM420146;MM420146;C=NN=C(C)C(CN)CN;RZPRPLKCFPWIDH-UHFFFAOYSA-N;142.21;-0.4;;;;;DOPC;MDCG;27;1;"MARTINI bead: C5_P3";;;;;;;-0.33;;-4.36;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM420147;MM420147;CC(=O)n1oc(N)nc1=N;LSNWWXNLOQGYLW-UHFFFAOYSA-N;142.12;-0.8;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP2_SP1";;;;;;;-1.06;;-3.82;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM420148;MM420148;CC1(C2CN2C=O)CC1N;MENDZSYFYHGPJF-UHFFFAOYSA-N;140.19;-0.44;;;;;DOPC;MDCG;27;1;"MARTINI bead: SNd_SP2";;;;;;;-0.24;;-5.03;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM420149;MM420149;C=C1CC(=CF)C2CC12N;GDABNSIMJONBRB-UHFFFAOYSA-N;139.17;1.52;;;;;DOPC;MDCG;27;1;"MARTINI bead: SNd_SC4";;;;;;;2.2;;-1.74;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM420150;MM420150;CC1CC1CC=CNC=N;BPKDWCDTNGPCOM-UHFFFAOYSA-N;138.21;1.74;;;;;DOPC;MDCG;27;1;"MARTINI bead: SC5_P1";;;;;;;0.81;;-4.56;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM420151;MM420151;C#CCc1noc(C=C)n1;BRTZBENEIVPLMO-UHFFFAOYSA-N;134.14;0.89;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNa_SNa";;;;;;;0.87;;-2.22;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM420152;MM420152;C=NN=C(C)C(CN)CO;GWOPUJSGZKGFHX-UHFFFAOYSA-N;143.19;-0.37;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nda_P2";;;;;;;-0.24;;-5.36;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM420153;MM420153;CC1(C2CN2C=N)CC1O;CYHSEEKIVFZPTJ-UHFFFAOYSA-N;140.19;0.05;;;;;DOPC;MDCG;27;1;"MARTINI bead: SNda_SP2";;;;;;;-0.24;;-6.35;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM420154;MM420154;C=CC(CC=CCN)=NO;GHDHWYLMTWYDQY-UHFFFAOYSA-N;140.19;0.91;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_Nda";;;;;;;0.87;;-4.14;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM420155;MM420155;Nc1ncoc1N;CQLYSFWFUIFKTK-UHFFFAOYSA-N;99.09;-0.16;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP1_SP1";;;;;;;-0.79;;-3.13;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM420156;MM420156;N=CNC=CCC1CC1N;YCHNHBUGYHFKRY-UHFFFAOYSA-N;139.2;0.43;;;;;DOPC;MDCG;27;1;"MARTINI bead: SNd_P2";;;;;;;-0.24;;-7.2;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM420157;MM420157;C#CCc1noc(C=O)n1;IVPSXZKYSOYJCP-UHFFFAOYSA-N;136.11;0.06;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP1_SNa";;;;;;;0.04;;-2.54;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM420158;MM420158;C=NN=C(C)C(CN)NC;RIVLZKKGDUMROR-UHFFFAOYSA-N;142.21;-0.39;;;;;DOPC;MDCG;27;1;"MARTINI bead: P3_C5";;;;;;;-0.33;;-3.6;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM420159;MM420159;CC1(C2CN2C=O)CC1O;OEPLVYABTOOUOU-UHFFFAOYSA-N;141.17;-0.4;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNda_SP2";;;;;;;-0.24;;-3.31;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM420160;MM420160;C=CC(CC=CCF)=NO;QURXSJVXVMZBJS-UHFFFAOYSA-N;143.16;1.92;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda_Na";;;;;;;0.87;;-1.99;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM420161;MM420161;CC=C1CC(=O)C2(O)CC12;MAJDWDQVZBYUBQ-UHFFFAOYSA-N;138.17;0.66;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC1_SP1";;;;;;;2.08;;0.48;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM420162;MM420162;N=CNC=CCC1CC1O;GRUNHPNAEZZGJD-UHFFFAOYSA-N;140.19;0.47;;;;;DOPC;MDCG;27;1;"MARTINI bead: SNda_P2";;;;;;;-0.24;;-7.27;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM420163;MM420163;C#CCc1noc(C#N)n1;YYSMLFKCARNDQO-UHFFFAOYSA-N;133.11;0.12;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNa_SP1";;;;;;;0.04;;-2.54;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM420164;MM420164;CCN(CC)C(C)=NC=O;FXELQOFBXAPHNT-UHFFFAOYSA-N;142.2;0.9;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nd_Na";;;;;;;0.87;;-1.88;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM420165;MM420165;CC1(C2CN2C=N)CC1F;HHJQDZGAWJBVOA-UHFFFAOYSA-N;142.18;1.03;;;;;DOPC;MDCG;27;1;"MARTINI bead: SNa_SP2";;;;;;;-0.24;;-6.29;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM420166;MM420166;C=C1CC(=CC)C2CC12F;OMFGSXKBSRLAFN-UHFFFAOYSA-N;138.19;2.62;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC1_SC4";;;;;;;4.24;;0.42;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM420167;MM420167;C=CC(CC=COC)=NO;QLTCVIAYRDKYKV-UHFFFAOYSA-N;141.17;1.55;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_Nda";;;;;;;0.87;;-1.99;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM420168;MM420168;C=COC=CCC1CC1C;LVYNACMVOCFBQH-UHFFFAOYSA-N;138.21;2.71;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC5_C5";;;;;;;2.41;;0.64;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM420169;MM420169;C#CC1=CC(CCC)=CC1;DMIPANUZDCBYMN-UHFFFAOYSA-N;132.21;2.68;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC2_SC5";;;;;;;3.6;;0.34;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM420170;MM420170;CCN(OC)C(C)=NC=O;KLDYKESCXBAOHF-UHFFFAOYSA-N;144.17;0.44;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_Na";;;;;;;0.87;;-2.22;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM420171;MM420171;CC1(C2CN2C=O)CC1F;BCGAWURAFQVWMD-UHFFFAOYSA-N;143.16;0.58;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNa_SP2";;;;;;;-0.24;;-3.24;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM420172;MM420172;C=C1CC(=CF)C2CC12F;KFSADLZRAYGLKY-UHFFFAOYSA-N;142.15;2.53;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC4_SC4";;;;;;;3.53;;0.53;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM420173;MM420173;O=CC1=NC(=CO)C=C1;WONBQVGYVFNZAB-UHFFFAOYSA-N;123.11;0.6;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNda_SNa";;;;;;;0.87;;-6.79;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM420174;MM420174;C=CC(C)C=NN=CCF;PVDGHUGECRRINE-UHFFFAOYSA-N;142.18;1.83;;;;;DOPC;MDCG;27;0;"MARTINI bead: C2_P1";;;;;;;2;;0.29;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM420175;MM420175;C#CC=C(F)C(CC)CN;VDHSXEXFVMMYDW-UHFFFAOYSA-N;141.19;1.46;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_C5";;;;;;;1.64;;-2.58;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM420176;MM420176;C#CC1=CC(CCN)=CC1;VBCRBBKAHJHNGI-UHFFFAOYSA-N;133.19;1.22;;;;;DOPC;MDCG;27;1;"MARTINI bead: SNd_SC5";;;;;;;1.64;;-2.65;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM420177;MM420177;CC1CC1(N)C1CN1C=N;FFPWTHOZYBXUFN-UHFFFAOYSA-N;139.2;0.01;;;;;DOPC;MDCG;27;1;"MARTINI bead: SNd_SP2";;;;;;;-0.24;;-5.95;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM420178;MM420178;CC=C1CC(=O)C2(F)CC12;YEMQNTZCOWKEPD-UHFFFAOYSA-N;140.16;1.63;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC1_SNa";;;;;;;2.91;;0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM420179;MM420179;C=CC(CC=NNC)=NN;JGYQGBAQEPTJKM-UHFFFAOYSA-N;140.19;0.08;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_C5";;;;;;;0.54;;-1.09;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM420180;MM420180;C=CNC=NCC1CC1C;FSPRWCCRPIYDDB-UHFFFAOYSA-N;138.21;1.4;;;;;DOPC;MDCG;27;1;"MARTINI bead: SC5_Nd";;;;;;;1.64;;-3.07;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM420181;MM420181;C#CC=C(F)C(CN)CN;YOSVETORJCJYNS-UHFFFAOYSA-N;142.18;0.01;;;;;DOPC;MDCG;27;1;"MARTINI bead: P2_Nda";;;;;;;-0.24;;-5.94;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM420182;MM420182;C#CC1=CC(CNC)=CC1;JDLTVLVYNLJRAV-UHFFFAOYSA-N;133.19;1.1;;;;;DOPC;MDCG;27;1;"MARTINI bead: SNd_SC5";;;;;;;1.64;;-2.23;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM420183;MM420183;CC1CC1(N)C1CN1C=O;ZQDKWIGNXOSQPL-UHFFFAOYSA-N;140.19;-0.44;;;;;DOPC;MDCG;27;1;"MARTINI bead: SNd_SP2";;;;;;;-0.24;;-5.05;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM420184;MM420184;C=C1CC(=NN)C2CC12C;RQJXXNFOVWAZBI-UHFFFAOYSA-N;136.2;1.29;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC4_SNd";;;;;;;2.2;;0.32;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM420185;MM420185;NC(CC(=O)O)=NO;UDQWXDVKWGIDIR-UHFFFAOYSA-N;118.09;-0.79;;;;;DOPC;MDCG;27;0;"MARTINI bead: P3_P1";;;;;;;-1.93;;-8.93;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM420186;MM420186;C=CCNC=NC1CC1C;KVJYTNJSOSKMCT-UHFFFAOYSA-N;138.21;1.2;;;;;DOPC;MDCG;27;1;"MARTINI bead: SC5_P1";;;;;;;0.81;;-3.15;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM420187;MM420187;C#CC1=CC(OCC)=CC1;BWTUOFAJKMALFS-UHFFFAOYSA-N;134.18;1.87;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC5_SC5";;;;;;;2.41;;0.64;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM420188;MM420188;C#CC=C(F)C(CN)OC;UJNDXAIWGUODGE-UHFFFAOYSA-N;143.16;0.45;;;;;DOPC;MDCG;27;1;"MARTINI bead: P2_C5";;;;;;;0.54;;-3.01;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM420189;MM420189;N=CN1CC1C1(N)CC1N;KBGJHWWZZOOODV-UHFFFAOYSA-N;140.19;-1.29;;;;;DOPC;MDCG;27;1;"MARTINI bead: SP3_SP2";;;;;;;-2.2;;-7.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM420190;MM420190;C=C1CC(=NO)C2CC12C;ACWXCBHVKXXUSA-UHFFFAOYSA-N;137.18;1.8;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC4_SNda";;;;;;;2.2;;0.49;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM420191;MM420191;C=CC(CC=NOC)=NO;VWXVWVBZHDQDGA-UHFFFAOYSA-N;142.16;1.02;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_Nda";;;;;;;0.87;;-1.99;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM420192;MM420192;NC1CC1(N)C1CN1C=O;QUJJRNTWKUWOJA-UHFFFAOYSA-N;141.17;-1.74;;;;;DOPC;MDCG;27;1;"MARTINI bead: SP3_SP2";;;;;;;-2.2;;-6.72;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM420193;MM420193;CC1CC1N=CNCC=O;ITHGSXXNBPEMGF-UHFFFAOYSA-N;140.19;0.21;;;;;DOPC;MDCG;27;1;"MARTINI bead: SP1_P2";;;;;;;-1.06;;-5.59;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM420194;MM420194;C#CC=C(F)C(CO)OC;SZDKJWHGVUQATE-UHFFFAOYSA-N;144.15;0.48;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_C5";;;;;;;0.54;;-1.09;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM420195;MM420195;C#Cc1cc(CCC)c[nH]1;UWZRDNTZZCXVPO-UHFFFAOYSA-N;133.19;1.95;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC4_SNd";;;;;;;2.2;;0.32;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM420196;MM420196;CC12CC1C(=NO)CC2=O;LHDHCPREHRMGSR-UHFFFAOYSA-N;139.15;0.82;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNa_SNda";;;;;;;0.87;;-1.99;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM420197;MM420197;C=CC(=CC)NC=NCC;HSNVGEZUDFOBLJ-UHFFFAOYSA-N;138.21;1.71;;;;;DOPC;MDCG;27;1;"MARTINI bead: C5_C5";;;;;;;2.41;;-0.21;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM420198;MM420198;CC1CC1(O)C1CN1C=N;MYLXXDSCXJWHHY-UHFFFAOYSA-N;140.19;0.05;;;;;DOPC;MDCG;27;1;"MARTINI bead: SNda_SP2";;;;;;;-0.24;;-5.82;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM420199;MM420199;CC1CC1OC=CCC#N;MBKDYEZODYFHOJ-UHFFFAOYSA-N;137.18;1.84;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNa_N0";;;;;;;1.17;;-1.18;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM420200;MM420200;C=CC(CC)C(C)=CCC;IRSRAEIYJKERKS-UHFFFAOYSA-N;138.25;3.55;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1_C1";;;;;;;4.95;;0.69;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM420201;MM420201;C#Cc1cc(CCN)c[nH]1;FIHGZWQMGSEEHA-UHFFFAOYSA-N;134.18;0.5;;;;;DOPC;MDCG;27;1;"MARTINI bead: SNd_SNd";;;;;;;0.87;;-4.47;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM420202;MM420202;C=C1CC(=NO)C2CC12N;QTHSUYCSMSSDOI-UHFFFAOYSA-N;138.17;0.49;;;;;DOPC;MDCG;27;1;"MARTINI bead: SNd_SNda";;;;;;;0.87;;-3.82;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM420203;MM420203;C=CC(=CF)NC=NCC;NFZKAICVXZXQFJ-UHFFFAOYSA-N;142.18;1.62;;;;;DOPC;MDCG;27;1;"MARTINI bead: C5_Nda";;;;;;;1.64;;-0.92;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM420204;MM420204;C=COC=COC1CC1C;CJAHMVJSEDNDFW-UHFFFAOYSA-N;140.18;2.04;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNa_C5";;;;;;;1.64;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM420205;MM420205;CC1CC1(O)C1CN1C=O;AHRWNVCZDLVACE-UHFFFAOYSA-N;141.17;-0.4;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNda_SP2";;;;;;;-0.24;;-3.31;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM420206;MM420206;C=CC(CC)C(C)=CCF;JOYPIWCTDMFQKC-UHFFFAOYSA-N;142.22;3.11;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1_C4";;;;;;;4.24;;0.42;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM420207;MM420207;C#Cc1cc(CNC)c[nH]1;NYIDFRZNZCMIDZ-UHFFFAOYSA-N;134.18;0.72;;;;;DOPC;MDCG;27;1;"MARTINI bead: SNd_SNd";;;;;;;0.87;;-3.97;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM420208;MM420208;NN=c1ncon1N;WPMXMWBRVXUEBX-UHFFFAOYSA-N;115.1;-2.04;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP3_SP1";;;;;;;-1.93;;-4.72;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM420209;MM420209;C=CCC(C=C)(C=C)CO;SICNNHFDDVASCN-UHFFFAOYSA-N;138.21;1.91;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_C4";;;;;;;2.97;;0.45;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM420210;MM420210;C=CC(CC=NN)=NOC;OJMKMODBCFLDCP-UHFFFAOYSA-N;141.17;0.51;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_P1";;;;;;;0.81;;-0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM420211;MM420211;N=CN1CC1C1(O)CC1N;DHXBPSDZWHAVDU-UHFFFAOYSA-N;141.17;-1.26;;;;;DOPC;MDCG;27;1;"MARTINI bead: SP2_SP2";;;;;;;-1.34;;-6.81;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM420212;MM420212;CCC=C(C)C(C=O)CC;UIJXIZBUOQOXJT-UHFFFAOYSA-N;140.23;2.57;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1_C5";;;;;;;3.68;;0.46;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM420213;MM420213;CCC(C)=CCOC=NN;YUBSGRFVKJWHTJ-UHFFFAOYSA-N;142.2;1.26;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1_P1";;;;;;;2.08;;0.48;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM420214;MM420214;CCC1(C)CC(OC)=NN1;VJFKJWIZMOQMOA-UHFFFAOYSA-N;142.2;1.11;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNd_SP1";;;;;;;0.04;;-2.63;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM420215;MM420215;C=C1CC(=NO)C2CC12O;PFGVIYARRKYFRF-UHFFFAOYSA-N;139.15;0.53;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNda_SNda";;;;;;;0.87;;-2.07;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM420216;MM420216;C=COC=NOC1CC1C;GSYDMHYQRDAAGX-UHFFFAOYSA-N;141.17;1.51;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNa_P1";;;;;;;0.04;;-2.54;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM420217;MM420217;NC1CC1(O)C1CN1C=O;OWFUFLASJWLBDA-UHFFFAOYSA-N;142.16;-1.71;;;;;DOPC;MDCG;27;1;"MARTINI bead: SP2_SP2";;;;;;;-1.34;;-5.84;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM420218;MM420218;CCC=C(C)C(C#N)CC;IJZFWJLLBHUBEB-UHFFFAOYSA-N;137.23;2.89;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1_N0";;;;;;;3.21;;0.46;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM420219;MM420219;C#Cc1cc(OCC)c[nH]1;MCZINLJFYOCMOT-UHFFFAOYSA-N;135.17;1.39;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNa_SNd";;;;;;;0.87;;-1.88;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM420220;MM420220;C=CC(=CC)NC=NOC;IOCWCUCPDMYBHL-UHFFFAOYSA-N;140.19;1.26;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_C1";;;;;;;1.8;;0.41;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM420221;MM420221;O=C1CC(=NO)C2CC12O;OACNBCKWEXSXFP-UHFFFAOYSA-N;141.13;-0.46;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNda_SP1";;;;;;;0.04;;-2.73;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM420222;MM420222;C=CNC=NCC1NC1C;WNTNSPDDHKTTGL-UHFFFAOYSA-N;139.2;0.11;;;;;DOPC;MDCG;27;1;"MARTINI bead: SP1_P2";;;;;;;-1.06;;-6.64;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM420223;MM420223;O=CN1CC1C1(O)CC1O;SFHXZBBZKBFUEF-UHFFFAOYSA-N;143.14;-1.68;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP2_SP2";;;;;;;-1.34;;-4.31;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM420224;MM420224;C=CC(CN)C(C)=CCC;YAWXTJXRSWKVLZ-UHFFFAOYSA-N;139.24;2.1;;;;;DOPC;MDCG;27;1;"MARTINI bead: C1_Nd";;;;;;;2.91;;-0.5;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM420225;MM420225;C#Cc1cc(CCC)co1;XIJJXGGJGSGPJR-UHFFFAOYSA-N;134.18;2.21;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC3_SN0";;;;;;;2.87;;0.37;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM420226;MM420226;C#CC1CCC(C)(O)C1;CJPOVSUNSLLOTD-UHFFFAOYSA-N;124.18;1.17;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNda_SC4";;;;;;;2.2;;0.49;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM420227;MM420227;C=CC(=CF)NC=NOC;KUQAIPWNVBWWRS-UHFFFAOYSA-N;144.15;1.16;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_C4";;;;;;;1.09;;-0.38;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM420228;MM420228;C=COC=CCC1OC1C;JLQRBDXSZYAVGA-UHFFFAOYSA-N;140.18;1.84;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNa_C5";;;;;;;1.64;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM420229;MM420229;CC1CC1(F)C1CN1C=N;UOHBLVXMTQCYKX-UHFFFAOYSA-N;142.18;1.03;;;;;DOPC;MDCG;27;1;"MARTINI bead: SNa_SP2";;;;;;;-0.24;;-5.62;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM420230;MM420230;C=CC(CN)C(C)=CCF;YVVHNRUBMZZSHT-UHFFFAOYSA-N;143.21;1.66;;;;;DOPC;MDCG;27;1;"MARTINI bead: C4_Nd";;;;;;;2.2;;-2.15;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM420231;MM420231;C#Cc1cc(CCN)co1;YWIYZSJVYCVUKN-UHFFFAOYSA-N;135.17;0.76;;;;;DOPC;MDCG;27;1;"MARTINI bead: SNd_SN0";;;;;;;1.17;;-3.27;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM420232;MM420232;C=C1CC(=NO)C2CC12F;RIVWNBLSOFQRJE-UHFFFAOYSA-N;141.15;1.5;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNda_SC4";;;;;;;2.2;;0.49;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM420233;MM420233;C#CC(=O)C1(C)CN1C=O;QSPNSOZITMDXNT-UHFFFAOYSA-N;137.14;-0.58;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP1_P1";;;;;;;-0.79;;-3.13;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM420234;MM420234;C#CC(CC=NN)=NOC;UVRXPOVROUFHQB-UHFFFAOYSA-N;139.16;-0.04;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_P1";;;;;;;0.04;;-2.54;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM420235;MM420235;CC1CC1(F)C1CN1C=O;JRONIGYRVGUQLM-UHFFFAOYSA-N;143.16;0.58;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNa_SP2";;;;;;;-0.24;;-3.24;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM420236;MM420236;C=CC(CN)C(F)=CCC;KKMIIZPAOPHDOZ-UHFFFAOYSA-N;143.21;2.01;;;;;DOPC;MDCG;27;1;"MARTINI bead: C3_Nd";;;;;;;2.57;;-1.37;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM420237;MM420237;CC=C1NC(=N)C2(C)CC12;WVYGVRAAJNCVEZ-UHFFFAOYSA-N;136.2;1.5;;;;;DOPC;MDCG;27;1;"MARTINI bead: SC5_SNd";;;;;;;1.64;;-4.04;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM420238;MM420238;C#Cc1cc(NCC)co1;YAQGUSREVDGTND-UHFFFAOYSA-N;135.17;1.69;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC5_SN0";;;;;;;1.94;;0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM420239;MM420239;C=CC(=NC=CCC)NC;BSYWWQDYIRRZMG-UHFFFAOYSA-N;138.21;1.71;;;;;DOPC;MDCG;27;1;"MARTINI bead: C3_Nd";;;;;;;2.57;;-2.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM420240;MM420240;C=CNC=NCC1CN1C;UTQDDNDMYUYKKN-UHFFFAOYSA-N;139.2;0.06;;;;;DOPC;MDCG;27;1;"MARTINI bead: SNd_P2";;;;;;;-0.24;;-5.99;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM420241;MM420241;N=CN1CC1C1(F)CC1N;UAWFHRKZQYGSJD-UHFFFAOYSA-N;143.17;-0.28;;;;;DOPC;MDCG;27;1;"MARTINI bead: SP1_SP2";;;;;;;-1.06;;-6.18;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM420242;MM420242;C=CC(CN)C(F)=CCN;GSEZSDHBOUODEY-UHFFFAOYSA-N;144.19;0.56;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nda_P2";;;;;;;-0.24;;-6.05;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM420243;MM420243;CC12CC1C(=CF)NC2=N;GUHYLFZCJQYBIZ-UHFFFAOYSA-N;140.16;1.4;;;;;DOPC;MDCG;27;1;"MARTINI bead: SNd_SNda";;;;;;;0.87;;-4.31;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM420244;MM420244;C#Cc1cc(OCC)co1;FKNVNQFGVPJUQQ-UHFFFAOYSA-N;136.15;1.66;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC5_SN0";;;;;;;1.94;;0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM420245;MM420245;C=COC=CCN1CC1C;KYCAFUGWSYIZBE-UHFFFAOYSA-N;139.2;1.36;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNd_C5";;;;;;;1.64;;0.03;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM420246;MM420246;C=CC(=NC=CCC)NN;SUDSNXWPOCSZMI-UHFFFAOYSA-N;139.2;0.96;;;;;DOPC;MDCG;27;1;"MARTINI bead: C3_P1";;;;;;;1.74;;-1.89;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM420247;MM420247;C=NN1CC1C1(C)CC1C;QIMUHEJTDXSOKK-UHFFFAOYSA-N;138.21;1.33;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC5_SP2";;;;;;;0.54;;-1.09;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM420248;MM420248;C=CC(CN)C(F)=CCO;BCXACDJARCUEQV-UHFFFAOYSA-N;145.18;0.59;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nda_P1";;;;;;;0.04;;-5.36;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM420249;MM420249;COC(C)=CCOC=NN;HZUSOPCLAXURNL-UHFFFAOYSA-N;144.17;0.46;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_P1";;;;;;;0.81;;-0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM420250;MM420250;CC=C1NC(=O)C2(C)CC12;FMOZHUNSXGEKTQ-UHFFFAOYSA-N;137.18;1.05;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC5_SNa";;;;;;;1.64;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM420251;MM420251;C#CCC=CCC1CC1C;JEPIXNOOOJJRHG-UHFFFAOYSA-N;134.22;2.61;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC5_C5";;;;;;;2.41;;0.64;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM420252;MM420252;C=CC(=NN)NC=CCF;WOUHAMIRPRWIOK-UHFFFAOYSA-N;143.17;0.52;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_Nda";;;;;;;0.87;;-3.26;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM420253;MM420253;C=CC12CC(=O)C(C)N1C2;VODIYKROOJPHSU-UHFFFAOYSA-N;137.18;0.59;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNd_SP1";;;;;;;0.04;;-2.63;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM420254;MM420254;C=CC(CN)C(F)=CCF;BYUFMGZAVJZMQR-UHFFFAOYSA-N;147.17;1.57;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_C5";;;;;;;1.64;;-2.55;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM420255;MM420255;C#CCNC=NC1CC1C;XWUSUYOGRFVZDX-UHFFFAOYSA-N;136.2;0.65;;;;;DOPC;MDCG;27;1;"MARTINI bead: SP1_P2";;;;;;;-1.06;;-5.36;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM420256;MM420256;CC12CC1C(=CF)NC2=O;IFYUKLJYNAFRNO-UHFFFAOYSA-N;141.15;0.95;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNa_SNda";;;;;;;0.87;;-1.99;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM420257;MM420257;C#Cc1cc(CCN)n[nH]1;ICYQCYJOFXEAAQ-UHFFFAOYSA-N;135.17;-0.11;;;;;DOPC;MDCG;27;1;"MARTINI bead: SP1_SNd";;;;;;;0.04;;-4.77;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM420258;MM420258;C=CC(=NC=CCC)NO;DWEUYEPTAJZUKL-UHFFFAOYSA-N;140.19;1.47;;;;;DOPC;MDCG;27;1;"MARTINI bead: C3_P1";;;;;;;1.74;;-0.71;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM420259;MM420259;C=NN1CC1C1(C)CC1F;JMJLCPUTZKKIKR-UHFFFAOYSA-N;142.18;1.03;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNa_SP2";;;;;;;-0.24;;-3.24;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM420260;MM420260;CCC=C(F)C(C#N)CO;TUDXNDRDYFQIBL-UHFFFAOYSA-N;143.16;1.38;;;;;DOPC;MDCG;27;0;"MARTINI bead: C3_P2";;;;;;;1.46;;-0.15;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM420261;MM420261;C#CCC=NOC1CC1C;WXHRCOLSXPGFSX-UHFFFAOYSA-N;137.18;1.42;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC5_Na";;;;;;;1.64;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM420262;MM420262;C#Cc1cc(CCC)no1;VNYAWUOSDLRPRE-UHFFFAOYSA-N;135.17;1.61;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC5_SN0";;;;;;;1.94;;0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM420263;MM420263;CC=C1NC(=N)C2(N)CC12;LGASREJRFIGBGK-UHFFFAOYSA-N;137.19;0.19;;;;;DOPC;MDCG;27;1;"MARTINI bead: SC5_SP2";;;;;;;0.54;;-3.81;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM420264;MM420264;C=NN1CC1C1(N)CC1C;OUGYIVUNHMFSOR-UHFFFAOYSA-N;139.2;0.02;;;;;DOPC;MDCG;27;1;"MARTINI bead: SNd_SP2";;;;;;;-0.24;;-4.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM420265;MM420265;CCC=CN=C(C=O)NC;MAVKBXMYNPLHBD-UHFFFAOYSA-N;140.19;0.73;;;;;DOPC;MDCG;27;0;"MARTINI bead: C3_P3";;;;;;;0.6;;-0.8;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM420266;MM420266;N#CC(CO)C(F)=CCO;XOBVFXRXEJTQIW-UHFFFAOYSA-N;145.13;-0.04;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda_P2";;;;;;;-0.24;;-3.31;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM420267;MM420267;CC=CC=CCC1CC1N;PXSZUMYWKOEXKN-UHFFFAOYSA-N;137.23;1.86;;;;;DOPC;MDCG;27;1;"MARTINI bead: C1_SNd";;;;;;;2.91;;-0.41;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM420268;MM420268;C#Cc1cc(CCN)no1;YKMCOCSSVSWEPV-UHFFFAOYSA-N;136.15;0.16;;;;;DOPC;MDCG;27;1;"MARTINI bead: SNda_SN0";;;;;;;1.17;;-3.15;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM420269;MM420269;C=NN1CC1C1(N)CC1N;BMBNRADPNQDVRO-UHFFFAOYSA-N;140.19;-1.29;;;;;DOPC;MDCG;27;1;"MARTINI bead: SP3_SP2";;;;;;;-2.2;;-6.75;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM420270;MM420270;N=C1NC(=CF)C2CC12N;NURMIXYMNQVQOQ-UHFFFAOYSA-N;141.15;0.1;;;;;DOPC;MDCG;27;1;"MARTINI bead: SP2_SNda";;;;;;;-0.24;;-4.64;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM420271;MM420271;CCC=CN=C(C#N)NC;JSIAQQPZOJPTSG-UHFFFAOYSA-N;137.19;1.05;;;;;DOPC;MDCG;27;0;"MARTINI bead: C3_P2";;;;;;;1.46;;-0.15;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM420272;MM420272;C=CC(CC)C(C)=COC;FQAFCFAKKQRMLN-UHFFFAOYSA-N;140.23;2.75;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1_C5";;;;;;;3.68;;0.46;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM420273;MM420273;C=CC#CC1CC1ON=C;MMYJPHMEJKGYJV-UHFFFAOYSA-N;135.17;1.2;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4_SNa";;;;;;;2.2;;0.34;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM420274;MM420274;C#Cc1nc(CCC)co1;PIJSXASEGUJZEP-UHFFFAOYSA-N;135.17;1.61;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC5_SN0";;;;;;;1.94;;0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM420275;MM420275;C=NNC(=N)C1(C#N)CC1;BEHAIGQLRQDGCQ-UHFFFAOYSA-N;136.16;0.47;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_SN0";;;;;;;0.06;;-2.21;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM420276;MM420276;CC=C1NC(=N)C2(O)CC12;IVBBWWFBURQIDW-UHFFFAOYSA-N;138.17;0.22;;;;;DOPC;MDCG;27;1;"MARTINI bead: SC5_SP2";;;;;;;0.54;;-3.84;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM420277;MM420277;N=C(C=O)NN=CC=CF;BELUAXCXNPRXMZ-UHFFFAOYSA-N;143.12;0.22;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_P1";;;;;;;0.81;;-0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM420278;MM420278;CCC(C#N)C(C)=COC;DDXXPDABDWWGHL-UHFFFAOYSA-N;139.2;2.09;;;;;DOPC;MDCG;27;0;"MARTINI bead: N0_C5";;;;;;;1.94;;0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM420279;MM420279;C=NN1CC1C1(O)CC1N;KMPWTANJGODSKO-UHFFFAOYSA-N;141.17;-1.25;;;;;DOPC;MDCG;27;1;"MARTINI bead: SP2_SP2";;;;;;;-1.34;;-5.93;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM420280;MM420280;C#Cc1nc(CCN)co1;OJXXAIRMPKBUCQ-UHFFFAOYSA-N;136.15;0.16;;;;;DOPC;MDCG;27;1;"MARTINI bead: SP1_SN0";;;;;;;0.34;;-3.58;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM420281;MM420281;CCNc1ccn(C=O)n1;JBCOPAUTOJHURA-UHFFFAOYSA-N;139.16;0.35;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNd_SP1";;;;;;;0.04;;-2.63;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM420282;MM420282;C#CCCC1CC1(O)CC;KKRYDFFPJZUPRX-UHFFFAOYSA-N;138.21;1.56;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNda_C5";;;;;;;1.64;;0.05;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM420283;MM420283;CC=C1NC(=O)C2(O)CC12;PSYFQODGWWRQHE-UHFFFAOYSA-N;139.15;-0.23;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC5_SP2";;;;;;;0.54;;-1.09;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM420284;MM420284;CCC(C#N)C(F)=COC;NZZLNLCBHAQGAR-UHFFFAOYSA-N;143.16;1.99;;;;;DOPC;MDCG;27;0;"MARTINI bead: N0_N0";;;;;;;1.47;;-0.05;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM420285;MM420285;C=CC1CC1C(O)CCC;FAPBAFFCCPGGBE-UHFFFAOYSA-N;140.23;1.97;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda_SC4";;;;;;;2.2;;0.49;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM420286;MM420286;CC=NN=CCC1CC1C;LTNLKJHAQNTOFJ-UHFFFAOYSA-N;138.21;2.11;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_SC5";;;;;;;2.41;;0.64;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM420287;MM420287;C=CC(C)=CCOC=NN;CQQOVQBJIUMSIO-UHFFFAOYSA-N;140.19;1.04;;;;;DOPC;MDCG;27;0;"MARTINI bead: C3_P1";;;;;;;1.74;;0.29;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM420288;MM420288;C=C1NC(=NC)C2CC12C;UDAORJOBZZJNQU-UHFFFAOYSA-N;136.2;1.16;;;;;DOPC;MDCG;27;1;"MARTINI bead: SNd_SN0";;;;;;;1.17;;-4.5;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM420289;MM420289;C=CC(O)C(C=C)C(=C)C;ATEXTNGGZUNAAE-UHFFFAOYSA-N;138.21;1.91;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1_Nda";;;;;;;2.91;;0.57;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM420290;MM420290;C=CC(NC)C(C)=CCC;HIMCCCBFJBWTKB-UHFFFAOYSA-N;139.24;2.12;;;;;DOPC;MDCG;27;1;"MARTINI bead: C1_Nd";;;;;;;2.91;;0.21;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM420291;MM420291;C#Cc1nc(CCC)no1;MZPHSJYRFFZGOI-UHFFFAOYSA-N;136.15;1;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNa_SP1";;;;;;;0.04;;-2.54;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM420292;MM420292;C=NN1CC1C1(F)CC1C;XGCBZXOQQNJQPO-UHFFFAOYSA-N;142.18;1.03;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNa_SP2";;;;;;;-0.24;;-3.24;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM420293;MM420293;CC1CC1N=CC=CNO;NATICSNSZIRPHM-UHFFFAOYSA-N;140.19;0.96;;;;;DOPC;MDCG;27;1;"MARTINI bead: SP1_Nda";;;;;;;0.04;;-5.5;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM420294;MM420294;CN=C1NC(=N)C2(C)CC12;DBSMJZKWMRFODN-UHFFFAOYSA-N;137.19;0.62;;;;;DOPC;MDCG;27;1;"MARTINI bead: SNd_SNd";;;;;;;0.87;;-4.18;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM420295;MM420295;C=CC(=NC=COC)NC;SKTXBUJALLCQNS-UHFFFAOYSA-N;140.19;0.91;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_Na";;;;;;;0.87;;-4.94;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM420296;MM420296;C=CC(NC)C(C)=CCF;DWNSSTGNPDFQSQ-UHFFFAOYSA-N;143.21;1.68;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_Na";;;;;;;0.87;;-3.72;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM420297;MM420297;C#Cc1nc(NCC)no1;UFLZPHRYROUDEZ-UHFFFAOYSA-N;137.14;0.48;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNda_SP1";;;;;;;0.04;;-2.73;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM420298;MM420298;CC1NC1(C)C1CN1C=N;WCFGIQOLVJNHPW-UHFFFAOYSA-N;139.2;0.03;;;;;DOPC;MDCG;27;1;"MARTINI bead: SP1_SP2";;;;;;;-1.06;;-6.58;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM420299;MM420299;CC=CC=NNC1CC1C;NINJEQGUTMBEEZ-UHFFFAOYSA-N;138.21;1.55;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_SC5";;;;;;;2.41;;0.64;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM420300;MM420300;CC12CC1C(=NO)NC2=O;ZJGOTRXWKCXXFE-UHFFFAOYSA-N;140.14;-0.07;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNa_SP1";;;;;;;0.04;;-2.54;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM420301;MM420301;C=CC1CC(CC)C1O;PKUOFRUEBXNZTG-UHFFFAOYSA-N;126.2;1.58;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC2_SNda";;;;;;;2.83;;0.57;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM420302;MM420302;C=NNC=C(C=O)C(C)C;SPVRXZBZHWSKJA-UHFFFAOYSA-N;140.19;0.93;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4_P1";;;;;;;1.37;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM420304;MM420304;C#CC1=CC(CC=C)=CC1;VORYEVHXKZJQNY-UHFFFAOYSA-N;130.19;2.45;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC4_SC5";;;;;;;2.97;;0.45;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM420303;MM420303;C=NN1CC1C1(C)NC1C;XZRZQSPTWYNZOZ-UHFFFAOYSA-N;139.2;0.04;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP1_SP2";;;;;;;-1.06;;-3.82;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM420305;MM420305;CC1CC1OC=CC=NN;WZHYCHXZXJBLLT-UHFFFAOYSA-N;140.19;0.87;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNa_Nd";;;;;;;0.87;;-1.88;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM420306;MM420306;C=C1NC(=NC)C2CC12N;DHQBYVRTJDCIQP-UHFFFAOYSA-N;137.19;-0.15;;;;;DOPC;MDCG;27;1;"MARTINI bead: SNd_SP1";;;;;;;0.04;;-5.51;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM420307;MM420307;CNN=CN=C(C=O)NO;SKLNIQBZGSOJSR-UHFFFAOYSA-N;144.13;-1.27;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_P2";;;;;;;-1.34;;-4.31;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM420308;MM420308;CNC(C#N)C(F)=COC;LGKJBWIHDCMTPS-UHFFFAOYSA-N;144.15;0.56;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_C5";;;;;;;0.54;;-1.09;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM420309;MM420309;CC1OC1(C)C1CN1C=N;JPYWCNDZGOWJKZ-UHFFFAOYSA-N;140.19;0.46;;;;;DOPC;MDCG;27;1;"MARTINI bead: SNa_SP2";;;;;;;-0.24;;-5.7;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM420310;MM420310;C#CC1=CC(CC=O)=CC1;LNFDSYJOOVGHKA-UHFFFAOYSA-N;132.16;1.47;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNa_SC5";;;;;;;1.64;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM420311;MM420311;CC1CC1OC=CC=NO;UFMMSOVFFCUILK-UHFFFAOYSA-N;141.17;1.39;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNa_Nda";;;;;;;0.87;;-1.99;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM420312;MM420312;C=C1NC(=NC)C2CC12O;GWYMXDKSZAFCBV-UHFFFAOYSA-N;138.17;-0.12;;;;;DOPC;MDCG;27;1;"MARTINI bead: SNd_SNda";;;;;;;0.87;;-4.32;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM420313;MM420313;C#CC(=O)CC1C(C)N1C;SWXXJZVOJWCVBS-UHFFFAOYSA-N;137.18;0.28;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNd_Na";;;;;;;0.87;;-1.88;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM420314;MM420314;COC(C=O)C(C)=CCO;IPNMNPGPJSNSGD-UHFFFAOYSA-N;144.17;0.14;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_Nda";;;;;;;0.04;;-2.73;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM420315;MM420315;CC1CC1ON=CC=CF;WAGKRZHVPXPCPL-UHFFFAOYSA-N;143.16;1.88;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNa_Na";;;;;;;0.87;;-2.22;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM420316;MM420316;CN=C1NC(=O)C2(O)CC12;NBHIMSYKMOWWMO-UHFFFAOYSA-N;140.14;-1.1;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNd_SP2";;;;;;;-0.24;;-3.16;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM420317;MM420317;CC1OC1(C)C1CN1C=O;CBZJLBMTKBFRMA-UHFFFAOYSA-N;141.17;;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNa_SP2";;;;;;;-0.24;;-3.24;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM420318;MM420318;C#CC1=CC(CC#N)=CC1;INUXACKMBHVETL-UHFFFAOYSA-N;129.16;1.79;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC5_SC5";;;;;;;2.41;;0.64;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM420319;MM420319;C=NN(C=O)C(=N)CC#N;NJFDXDPNKQOLFR-UHFFFAOYSA-N;138.13;-0.05;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_Nd";;;;;;;-0.24;;-3.16;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM420320;MM420320;COC(C=O)C(F)=CCO;QUXOUBNLAOYOCB-UHFFFAOYSA-N;148.13;0.05;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_Nda";;;;;;;0.04;;-2.73;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM420321;MM420321;CC1CC1ON=CC=NO;LTZRCBGCVAXZSV-UHFFFAOYSA-N;142.16;0.86;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNa_P2";;;;;;;-0.24;;-3.24;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM420322;MM420322;NN=C1NC(=O)C2(O)CC12;ZYMPIYBXKKHCBI-UHFFFAOYSA-N;141.13;-1.86;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNd_SP2";;;;;;;-0.24;;-3.16;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM420323;MM420323;C#CC1=CC(NC=N)=CC1;RMWMNBCHVFHMTC-UHFFFAOYSA-N;132.17;1.03;;;;;DOPC;MDCG;27;1;"MARTINI bead: SNd_SC5";;;;;;;1.64;;-3.07;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM420324;MM420324;C=NN1CC1C1(C)OC1C;PJAHGGQXMKESEG-UHFFFAOYSA-N;140.19;0.46;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNa_SP2";;;;;;;-0.24;;-3.24;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM420325;MM420325;C=C(C)C1(O)CC1C1CC1;VUQMJNXAOYVTLA-UHFFFAOYSA-N;138.21;1.72;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNda_SC5";;;;;;;1.64;;0.05;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM420326;MM420326;C=CC(OC)C(C)=COC;NPPRLMYSCNVCAT-UHFFFAOYSA-N;142.2;1.74;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_Na";;;;;;;1.64;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM420327;MM420327;O=C1NC(=NO)C2CC12O;IHCLXSORYLVLHS-UHFFFAOYSA-N;142.11;-1.35;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP1_SP2";;;;;;;-1.06;;-3.82;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM420328;MM420328;CC=CC=CCC1OC1C;QOFYWFNTTSJEML-UHFFFAOYSA-N;138.21;2.3;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1_SNa";;;;;;;2.91;;0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM420329;MM420329;C#CC1=CC(NC=O)=CC1;QFGOCVLZLAKJAW-UHFFFAOYSA-N;133.15;0.58;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNda_SC5";;;;;;;1.64;;0.05;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM420330;MM420330;CN1CC1(C)C1CN1C=N;APTHFSMDDVHATE-UHFFFAOYSA-N;139.2;-0.02;;;;;DOPC;MDCG;27;1;"MARTINI bead: SNd_SP2";;;;;;;-0.24;;-5.92;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM420331;MM420331;C=CC1(O)C(C)C1C1CC1;BWOBJSUUIOUATG-UHFFFAOYSA-N;138.21;1.58;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC5_SNda";;;;;;;1.64;;0.05;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM420332;MM420332;COC=C(C)C(C#N)OC;ZNQBTQAHTOHQSL-UHFFFAOYSA-N;141.17;1.08;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_P1";;;;;;;0.81;;-0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM420333;MM420333;C=C1NC(=NC)C2CC12F;QTOWIKWZQVNCAA-UHFFFAOYSA-N;140.16;0.86;;;;;DOPC;MDCG;27;1;"MARTINI bead: SNd_SNa";;;;;;;0.87;;-4.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM420334;MM420334;C#CC1=CC(OC=C)=CC1;UDZLVTCZGALQTG-UHFFFAOYSA-N;132.16;1.99;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC4_SC5";;;;;;;2.97;;0.45;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM420335;MM420335;CN1CC1(C)C1CN1C=O;GAKKVYCWZPQUNN-UHFFFAOYSA-N;140.19;-0.47;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNd_SP2";;;;;;;-0.24;;-3.16;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM420336;MM420336;CC=CC=CCN1CC1C;DLHBTIWUNNMSGR-UHFFFAOYSA-N;137.23;1.82;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1_SNd";;;;;;;2.91;;0.65;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM420337;MM420337;CCC=NN=C(C=O)NO;MDMDWQYFLZEMFN-UHFFFAOYSA-N;143.15;-0.04;;;;;DOPC;MDCG;27;0;"MARTINI bead: C3_P3";;;;;;;0.6;;-0.8;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM420338;MM420338;COC=C(F)C(C=O)OC;FFALFQAYHKAEND-UHFFFAOYSA-N;148.13;0.66;;;;;DOPC;MDCG;27;0;"MARTINI bead: N0_P1";;;;;;;0.34;;-1.53;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM420339;MM420339;C=C1NC(=NO)C2CC12F;WAFMOEDFTBTXDF-UHFFFAOYSA-N;142.13;0.62;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP1_SNa";;;;;;;0.04;;-2.54;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM420340;MM420340;C#Cc1cc(CC=C)c[nH]1;XJMUOEUPCVOZEM-UHFFFAOYSA-N;131.18;1.72;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC5_SNd";;;;;;;1.64;;0.02;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM420341;MM420341;C=NN1CC1C1(C)CN1C;OBFHXUZZNMHGEE-UHFFFAOYSA-N;139.2;-0.01;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNd_SP2";;;;;;;-0.24;;-3.16;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM420342;MM420342;CCCC#CCC1CC1C;GYZVKBKKIGDIRJ-UHFFFAOYSA-N;136.24;2.84;;;;;DOPC;MDCG;27;0;"MARTINI bead: C3_SC5";;;;;;;3.34;;0.48;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM420343;MM420343;CCC=NN=C(C#N)NO;NLDQVXJRYBOEGR-UHFFFAOYSA-N;140.15;0.28;;;;;DOPC;MDCG;27;0;"MARTINI bead: C2_P3";;;;;;;0.86;;-0.3;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM420344;MM420344;CNc1c[nH]c(C)c1C;QKBWXFSLMORIFO-UHFFFAOYSA-N;124.19;1.67;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNd_SNd";;;;;;;0.87;;-2.11;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM420345;MM420345;C#CC1CC1C(C)(C)O;HCRFIQKCWVOESI-UHFFFAOYSA-N;124.18;1.03;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda_SC5";;;;;;;1.64;;0.05;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM420346;MM420346;C#Cc1cc(CC=O)c[nH]1;GVGQOCYEXKJBRN-UHFFFAOYSA-N;133.15;0.74;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNa_SNd";;;;;;;0.87;;-1.88;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM420347;MM420347;CC1CC1(C)N1CC1C#N;VDWIORZPRJDQNQ-UHFFFAOYSA-N;136.2;0.99;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC5_SP2";;;;;;;0.54;;-1.09;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM420348;MM420348;CC=CC1CN1C(C)C=O;OGGZREPOQVXOSK-UHFFFAOYSA-N;139.2;0.83;;;;;DOPC;MDCG;27;0;"MARTINI bead: SN0_P2";;;;;;;0.06;;-2.21;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM420349;MM420349;CC1CC1CC#CCCN;NVPXERVIQGJVEK-UHFFFAOYSA-N;137.23;1.38;;;;;DOPC;MDCG;27;1;"MARTINI bead: SC5_Nd";;;;;;;1.64;;-2.34;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM420350;MM420350;CNc1c[nH]c(N)c1C;UPUZWSFAIIWSSI-UHFFFAOYSA-N;125.18;0.95;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNd_SP1";;;;;;;0.04;;-2.63;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM420351;MM420351;N=C1NC(=NO)C2CC12F;KXBZEOQXVONUHO-UHFFFAOYSA-N;143.12;0.08;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP1_SP1";;;;;;;-0.79;;-3.13;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM420352;MM420352;C#Cc1cc(CC#N)c[nH]1;ZRCYRGNGTUOJNK-UHFFFAOYSA-N;130.15;1.06;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNd_SN0";;;;;;;1.17;;-1.04;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM420353;MM420353;CN(C)C(=O)C=NN;WHNVNSLVRYGCFI-UHFFFAOYSA-N;115.14;-0.98;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_P1";;;;;;;-1.06;;-3.82;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM420354;MM420354;C=CC(C#N)=CNN=C;KKYMTSHZZYTTHE-UHFFFAOYSA-N;121.14;0.79;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_P1";;;;;;;0.81;;-0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM420355;MM420355;C=CC(=CC)OC=CCN;CTOZDPUCSNGYEC-UHFFFAOYSA-N;139.2;1.57;;;;;DOPC;MDCG;27;1;"MARTINI bead: C1_P2";;;;;;;1.8;;-1.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM420356;MM420356;CC1CC1CC#CCCO;DBZRBFRWOUNLSW-UHFFFAOYSA-N;138.21;1.42;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC5_Nda";;;;;;;1.64;;0.05;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM420357;MM420357;C=C1OC(=CC)C2CC12C;WHLHZWILOJRLEQ-UHFFFAOYSA-N;136.19;2.46;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC5_SC5";;;;;;;2.41;;0.64;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM420358;MM420358;C#Cc1cc(NC=N)c[nH]1;NOWXYIPHCIDTTR-UHFFFAOYSA-N;133.15;1.01;;;;;DOPC;MDCG;27;1;"MARTINI bead: SP1_SNd";;;;;;;0.04;;-3.8;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM420359;MM420359;C#CC1CC1C1(N)CC1C;VZTGOWKVBJRNTA-UHFFFAOYSA-N;135.21;0.99;;;;;DOPC;MDCG;27;1;"MARTINI bead: SNd_SC5";;;;;;;1.64;;-2.81;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM420360;MM420360;CCCC#CCC1CC1N;SHJXGJKJNJEABO-UHFFFAOYSA-N;137.23;1.53;;;;;DOPC;MDCG;27;1;"MARTINI bead: C3_SNd";;;;;;;2.57;;-1.33;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM420361;MM420361;C=CC(=CC)OC=CCO;AEJGUXKZHDOPKA-UHFFFAOYSA-N;140.18;1.6;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1_P2";;;;;;;1.8;;0.4;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM420362;MM420362;C=CC(CC)C(C)=NOC;HILHYDYRFOYBDG-UHFFFAOYSA-N;141.21;2.22;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1_Na";;;;;;;2.91;;0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM420363;MM420363;CC=C1OC(=O)C2(C)CC12;CPHMDFNJKYLBPZ-UHFFFAOYSA-N;138.17;1.47;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC5_SNa";;;;;;;1.64;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM420364;MM420364;C#Cc1cc(NC=O)c[nH]1;CMIIGIHLFDPSGJ-UHFFFAOYSA-N;134.14;0.56;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNda_SNd";;;;;;;0.87;;-1.92;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM420365;MM420365;C#CC1CC1C1(N)CC1N;IRTBFCQAEPBRDD-UHFFFAOYSA-N;136.2;-0.32;;;;;DOPC;MDCG;27;1;"MARTINI bead: SP3_SC5";;;;;;;-0.33;;-4.24;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM420366;MM420366;C=CC(=CF)OC=CCC;RHJQYJXLUAKQBF-UHFFFAOYSA-N;142.17;2.92;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_C4";;;;;;;2.97;;0.45;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM420367;MM420367;C#CC1=CC(=NN)CC1;ODEMPQUYCAIKNJ-UHFFFAOYSA-N;120.16;0.65;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNd_SC5";;;;;;;1.64;;0.02;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM420368;MM420368;NCCC#CCC1CC1N;JZIRUUOZOTWIPD-UHFFFAOYSA-N;138.21;0.08;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_SNd";;;;;;;0.87;;-4.96;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM420369;MM420369;C=C1OC(=CC)C2CC12N;RLROZDCBUWUCFB-UHFFFAOYSA-N;137.18;1.15;;;;;DOPC;MDCG;27;1;"MARTINI bead: SC5_SP1";;;;;;;0.81;;-1.96;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM420370;MM420370;C#Cc1cc(OC=C)c[nH]1;ZRAYLTFGAMMDCU-UHFFFAOYSA-N;133.15;1.52;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNa_SNd";;;;;;;0.87;;-1.88;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM420371;MM420371;CN(N)C(=O)C=NN;KCRJWOUMSDCGSV-UHFFFAOYSA-N;116.12;-1.74;;;;;DOPC;MDCG;27;0;"MARTINI bead: P4_P1";;;;;;;-2.01;;-5.13;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM420372;MM420372;C=CC(=CF)OC=CCN;UPGGUOLSEWLQGA-UHFFFAOYSA-N;143.16;1.47;;;;;DOPC;MDCG;27;1;"MARTINI bead: P2_C4";;;;;;;1.09;;-2.51;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM420373;MM420373;C=CC(CN)C(C)=NOC;UGKUDPMQRVQWBE-UHFFFAOYSA-N;142.2;0.77;;;;;DOPC;MDCG;27;1;"MARTINI bead: P2_C5";;;;;;;0.54;;-3.46;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM420374;MM420374;C#CCC(C#N)=NN1CC1;UFEVGZKCJPPHJL-UHFFFAOYSA-N;133.15;0.2;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_SP2";;;;;;;-1.06;;-3.82;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM420375;MM420375;C=C1OC(=CC)C2CC12O;JRHSMSHXTKZINV-UHFFFAOYSA-N;138.17;1.19;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC5_SNda";;;;;;;1.64;;0.05;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM420376;MM420376;C#Cc1cc(CC=C)co1;VPDMFHVDYTZYMD-UHFFFAOYSA-N;132.16;1.99;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC4_SN0";;;;;;;2.5;;0.44;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM420377;MM420377;C#CC1NC1C1(C)CC1C;UWWANFZTENGDQA-UHFFFAOYSA-N;135.21;1.01;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC5_SP3";;;;;;;-0.33;;-2.01;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM420378;MM420378;CCCC#CCC1CC1F;MKMOFBBGIBANIX-UHFFFAOYSA-N;140.2;2.54;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1_SNa";;;;;;;2.91;;0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM420379;MM420379;C=CC(=CF)OC=CCO;ROONNUYYILIPCU-UHFFFAOYSA-N;144.15;1.51;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_C4";;;;;;;1.09;;-0.38;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM420380;MM420380;COC=NNCC1CC1;CYYZFXPKGOOEBY-UHFFFAOYSA-N;128.18;0.58;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_SC5";;;;;;;0.81;;-0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM420381;MM420381;C=C1OC(=CC)C2CC12F;CQSZOQAHCLNIHJ-UHFFFAOYSA-N;140.16;2.16;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC5_SNa";;;;;;;1.64;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM420382;MM420382;C#Cc1cc(CC=O)co1;IYDBSJHSPYVDID-UHFFFAOYSA-N;134.13;1;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNa_SN0";;;;;;;1.17;;-1.18;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM420383;MM420383;C#CC1NC1C1(C)CC1N;POGILKGYXQZUMG-UHFFFAOYSA-N;136.2;-0.3;;;;;DOPC;MDCG;27;1;"MARTINI bead: SNd_SP3";;;;;;;-1.1;;-5.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM420384;MM420384;CNCC#CCC1CC1C;BMMGGPDVMAVLBB-UHFFFAOYSA-N;137.23;1.26;;;;;DOPC;MDCG;27;1;"MARTINI bead: P2_SC5";;;;;;;0.54;;-2.82;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM420385;MM420385;CC=C(C#N)OC=CCC;BHTXVNYAFKKFDX-UHFFFAOYSA-N;137.18;2.35;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_N0";;;;;;;1.94;;0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM420386;MM420386;C#CC=C(C)C(C)(O)CC;RNEDSPQGOQEHBB-UHFFFAOYSA-N;138.21;1.73;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda_C4";;;;;;;2.2;;0.49;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM420387;MM420387;C=C1OC(=NO)C2CC12C;RISJUSPMCYTVDO-UHFFFAOYSA-N;139.15;1.34;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC4_SP1";;;;;;;1.37;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM420388;MM420388;C#Cc1cc(CC#N)co1;LMAZANFIMJQRIL-UHFFFAOYSA-N;131.13;1.33;;;;;DOPC;MDCG;27;0;"MARTINI bead: SN0_SN0";;;;;;;1.47;;-0.05;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM420389;MM420389;C#CC1NC1C1(N)CC1C;ZVSJOSQGIGRFGT-UHFFFAOYSA-N;136.2;-0.3;;;;;DOPC;MDCG;27;1;"MARTINI bead: SNd_SP3";;;;;;;-1.1;;-6;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM420390;MM420390;CC1NC1CC#CCCN;UPDKOCFOJGYIGQ-UHFFFAOYSA-N;138.21;0.09;;;;;DOPC;MDCG;27;1;"MARTINI bead: SP1_Nd";;;;;;;0.04;;-5.07;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM420391;MM420391;CC=C(C#N)OC=CCO;YLBRUFTUCXLENS-UHFFFAOYSA-N;139.15;0.94;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_Nda";;;;;;;0.87;;-1.99;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM420392;MM420392;C=CC(OC)C(C)=NNC;LGMVDQGZKBCKBY-UHFFFAOYSA-N;142.2;0.78;;;;;DOPC;MDCG;27;0;"MARTINI bead: P3_C4";;;;;;;0.23;;-1.03;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM420393;MM420393;C#CCC1(C)NC1C=O;ZIDKYHDMOQZURB-UHFFFAOYSA-N;123.16;-0.06;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNd_P2";;;;;;;-0.24;;-3.16;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM420394;MM420394;C#Cc1cc(NC=O)co1;MSIPDQHPWMFFKH-UHFFFAOYSA-N;135.12;0.83;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNda_SN0";;;;;;;1.17;;-1.13;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM420395;MM420395;C#CC1NC1C1(O)CC1N;MMUABCVMWXPBKH-UHFFFAOYSA-N;138.17;-1.58;;;;;DOPC;MDCG;27;1;"MARTINI bead: SP2_SP3";;;;;;;-2.2;;-6.81;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM420396;MM420396;CC=C(C=O)OC=CCF;JWBQVPMOCVGPEZ-UHFFFAOYSA-N;144.15;1.59;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_Na";;;;;;;0.87;;-2.22;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM420397;MM420397;CNCC#CCC1NC1C;CHXOZPMKFUXDMF-UHFFFAOYSA-N;138.21;-0.04;;;;;DOPC;MDCG;27;1;"MARTINI bead: P2_SP1";;;;;;;-1.06;;-5.56;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM420398;MM420398;C=CC(OC)C(C)=NOC;NDIMJMJJMITVPQ-UHFFFAOYSA-N;143.19;1.21;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_Na";;;;;;;0.87;;-2.22;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM420399;MM420399;C=C1OC(=NO)C2CC12N;XKUKYQFBWMUEQZ-UHFFFAOYSA-N;140.14;0.04;;;;;DOPC;MDCG;27;1;"MARTINI bead: SNd_SP1";;;;;;;0.04;;-3.72;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM420400;MM420400;C#Cc1cc(OC=C)co1;XVJALBZFGKPXQP-UHFFFAOYSA-N;134.13;1.78;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC5_SN0";;;;;;;1.94;;0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM420401;MM420401;C#CC1NC1C1(F)CC1C;RAMZHCFSOHAVLH-UHFFFAOYSA-N;139.17;0.71;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNa_SP3";;;;;;;-1.1;;-4.2;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM420402;MM420402;CC=C(C#N)OC=CCF;SZOLMRQWFNBONN-UHFFFAOYSA-N;141.15;1.91;;;;;DOPC;MDCG;27;0;"MARTINI bead: N0_Na";;;;;;;1.17;;-1.18;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM420403;MM420403;CCCC#CCC1OC1C;DKRXWUXKIADJLN-UHFFFAOYSA-N;138.21;1.97;;;;;DOPC;MDCG;27;0;"MARTINI bead: C3_SNa";;;;;;;2.57;;0.45;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM420404;MM420404;C=C1OC(=NO)C2CC12O;ICOVVTQRQIQBJK-UHFFFAOYSA-N;141.13;0.07;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP1_SNda";;;;;;;0.04;;-2.73;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM420405;MM420405;C#CCC1=CCC(C)(O)C1;LBJQFEAHQGLYEP-UHFFFAOYSA-N;136.19;1.48;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNda_SC4";;;;;;;2.2;;0.49;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM420406;MM420406;C#CC1=CC(=NC=C)NC1;YPYGULXXJHOCKH-UHFFFAOYSA-N;132.17;0.69;;;;;DOPC;MDCG;27;1;"MARTINI bead: SNd_SP1";;;;;;;0.04;;-4.76;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM420407;MM420407;C#CC1OC1C1(C)CC1N;VQWCAZPPOYKPBX-UHFFFAOYSA-N;137.18;0.12;;;;;DOPC;MDCG;27;1;"MARTINI bead: SNd_SNa";;;;;;;0.87;;-4.12;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM420408;MM420408;C=NOC(=NN)C(F)F;OWFVZOYEXGWQLP-UHFFFAOYSA-N;137.09;0.16;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_N0";;;;;;;0.34;;-1.53;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM420409;MM420409;CCC=COC(C=O)=CN;AFUQYGPVLXOAEQ-UHFFFAOYSA-N;141.17;0.93;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_P2";;;;;;;0.54;;-1.09;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM420410;MM420410;CCC=C(C)N(C=O)CC;QBZTUFPDBFHCJK-UHFFFAOYSA-N;141.21;1.78;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1_P1";;;;;;;2.08;;0.48;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM420411;MM420411;CC1OC1CC#CCCN;AVKIVXOHFDPTHC-UHFFFAOYSA-N;139.2;0.52;;;;;DOPC;MDCG;27;1;"MARTINI bead: SNa_Nd";;;;;;;0.87;;-4.33;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM420412;MM420412;C#Cc1cc(CC=C)n[nH]1;HFTPYMPSSQBATO-UHFFFAOYSA-N;132.17;1.12;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNda_SNd";;;;;;;0.87;;-1.92;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM420413;MM420413;C#CC1OC1C1(C)CC1O;UDBHFKVRGGJUDH-UHFFFAOYSA-N;138.17;0.16;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNda_SNa";;;;;;;0.87;;-1.99;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM420414;MM420414;CC1OC1CC#CCCO;SLSJPHXYOVPJAD-UHFFFAOYSA-N;140.18;0.55;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNa_Nda";;;;;;;0.87;;-1.99;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM420415;MM420415;NC=C(C=O)OC=CCO;YIIATWNUEYHREE-UHFFFAOYSA-N;143.14;-0.49;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_P2";;;;;;;-1.06;;-3.82;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM420416;MM420416;CC1=CC(CN)C2CC12N;VYAKTFGNDSUTRQ-UHFFFAOYSA-N;138.21;0.24;;;;;DOPC;MDCG;27;1;"MARTINI bead: SNd_SNd";;;;;;;0.87;;-5.03;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM420417;MM420417;CCN(C=N)C(C)=COC;HNFGGHQZEOIHPE-UHFFFAOYSA-N;142.2;1.42;;;;;DOPC;MDCG;27;1;"MARTINI bead: P2_C5";;;;;;;0.54;;-3.5;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM420418;MM420418;C#Cc1cc(CC=O)n[nH]1;XJAHMDBTTQVMRK-UHFFFAOYSA-N;134.14;0.13;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP1_SNd";;;;;;;0.04;;-2.63;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM420419;MM420419;C#CC1OC1C1(C)CC1F;HGEIRVGSCKMLFD-UHFFFAOYSA-N;140.16;1.14;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNa_SNa";;;;;;;0.87;;-2.22;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM420420;MM420420;CC1OC1CC#CCCF;WNUNWJKFJNQFRL-UHFFFAOYSA-N;142.17;1.53;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNa_Na";;;;;;;0.87;;-2.22;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM420421;MM420421;CCN(C=O)C(C)=COC;URMVCHTYLACRSO-UHFFFAOYSA-N;143.19;0.97;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_C5";;;;;;;0.81;;-0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM420422;MM420422;NC=C(C=O)OC=CCF;OURQNXMKRMGSNL-UHFFFAOYSA-N;145.13;0.49;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_C5";;;;;;;0.54;;-1.09;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM420423;MM420423;CCN1N=C(C)C2(F)CC12;GLTSVXZQBVQFCE-UHFFFAOYSA-N;142.18;1.18;;;;;DOPC;MDCG;27;0;"MARTINI bead: SN0_SNa";;;;;;;1.17;;-1.18;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM420424;MM420424;C=CC(F)=CCOC=NN;HLONCRFJKDAFJD-UHFFFAOYSA-N;144.15;0.94;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_C4";;;;;;;1.37;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM420425;MM420425;C#CC1OC1C1(N)CC1C;CCSUEPPLKHQKFT-UHFFFAOYSA-N;137.18;0.12;;;;;DOPC;MDCG;27;1;"MARTINI bead: SNd_SNa";;;;;;;0.87;;-4.02;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM420426;MM420426;CNCC#CCC1OC1C;DNAIWHBAAOIFBX-UHFFFAOYSA-N;139.2;0.39;;;;;DOPC;MDCG;27;1;"MARTINI bead: P2_SNa";;;;;;;-0.24;;-4.96;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM420427;MM420427;CNN(C=N)C(C)=CCO;VDHSFZUBBZRDEL-UHFFFAOYSA-N;143.19;-0.07;;;;;DOPC;MDCG;27;1;"MARTINI bead: P4_Nda";;;;;;;-1.19;;-6.98;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM420428;MM420428;CC1=CN(C=O)C2CC12N;KYKCOCFEEYHCPF-UHFFFAOYSA-N;138.17;-0.17;;;;;DOPC;MDCG;27;1;"MARTINI bead: SP1_SP2";;;;;;;-1.06;;-5.09;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM420429;MM420429;N#CC(=CN)OC=CCF;PKOGQKGSWXXLCU-UHFFFAOYSA-N;142.13;0.81;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_C5";;;;;;;0.81;;-0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM420430;MM420430;C#Cc1cc(OC=C)n[nH]1;NQOHSKDLCFCMHK-UHFFFAOYSA-N;134.14;0.91;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNda_SNd";;;;;;;0.87;;-1.92;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM420431;MM420431;C#CC1OC1C1(N)CC1N;XTKCBWCUYCYBOM-UHFFFAOYSA-N;138.17;-1.18;;;;;DOPC;MDCG;27;1;"MARTINI bead: SP3_SNa";;;;;;;-1.1;;-6.05;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM420432;MM420432;CCC=C(C)N(C=O)NC;XKQWEJQISBZURT-UHFFFAOYSA-N;142.2;0.89;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1_P4";;;;;;;0.85;;-0.64;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM420433;MM420433;CCCC#CCC1CN1C;HNUZGDGXALHTHA-UHFFFAOYSA-N;137.23;1.49;;;;;DOPC;MDCG;27;0;"MARTINI bead: C3_SNd";;;;;;;2.57;;0.55;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM420434;MM420434;CC1=CN(C=N)C2CC12O;OTGMRLRRQFAMTE-UHFFFAOYSA-N;138.17;0.32;;;;;DOPC;MDCG;27;1;"MARTINI bead: SP1_SP2";;;;;;;-1.06;;-5.99;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM420435;MM420435;CCC=COC(C#N)=CF;KHKXHHVDWOVEBO-UHFFFAOYSA-N;141.15;2.26;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_Na";;;;;;;1.64;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM420436;MM420436;C#Cc1cc(CC=C)no1;MFQZYPBICRIREF-UHFFFAOYSA-N;133.15;1.38;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC5_SN0";;;;;;;1.94;;0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM420437;MM420437;C#CC1OC1C1(O)CC1C;SHNGGRFOEFRJQL-UHFFFAOYSA-N;138.17;0.16;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNda_SNa";;;;;;;0.87;;-1.99;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM420438;MM420438;CN1CC1CC#CCCN;OQYYDZPUBPPAMJ-UHFFFAOYSA-N;138.21;0.04;;;;;DOPC;MDCG;27;1;"MARTINI bead: SNd_Nd";;;;;;;0.87;;-4.56;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM420439;MM420439;CNN(C=O)C(C)=CCF;XXPCTBMVSPVRNT-UHFFFAOYSA-N;146.17;0.45;;;;;DOPC;MDCG;27;0;"MARTINI bead: P4_C4";;;;;;;0.15;;-2.18;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM420440;MM420440;N#CC(=CF)OC=CCO;XWMICNLBCHXVAL-UHFFFAOYSA-N;143.12;0.84;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda_Na";;;;;;;0.87;;-1.99;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM420441;MM420441;CC1=CN(C=O)C2CC12O;XWTRABQQWVPXPG-UHFFFAOYSA-N;139.15;-0.13;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP1_SP2";;;;;;;-1.06;;-3.82;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM420442;MM420442;C#Cc1cc(CC=O)no1;ZXRUXUPVGFZSMG-UHFFFAOYSA-N;135.12;0.4;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNa_SN0";;;;;;;1.17;;-1.18;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM420443;MM420443;C#CC1OC1C1(O)CC1O;WXWYXYHQPLADEM-UHFFFAOYSA-N;140.14;-1.12;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP2_SNa";;;;;;;-0.24;;-3.24;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM420444;MM420444;CNN(C=N)C(C)=COC;UDHTTYXHTNUDFL-UHFFFAOYSA-N;143.19;0.54;;;;;DOPC;MDCG;27;1;"MARTINI bead: P4_C5";;;;;;;-0.41;;-4.04;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM420445;MM420445;CCCCC=NN=CCF;QLMRBKJQZREUSK-UHFFFAOYSA-N;144.19;2.2;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1_P1";;;;;;;2.08;;0.48;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM420446;MM420446;N#CC(=CF)OC=CCF;HPNCLQZOWOUUTD-UHFFFAOYSA-N;145.11;1.82;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_Na";;;;;;;0.87;;-2.22;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM420447;MM420447;C=C1C(=O)OC(=O)C1N;KFXBDQBWCSKXCI-UHFFFAOYSA-N;127.1;-1.05;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP2_SNa";;;;;;;-0.24;;-3.24;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM420448;MM420448;C#Cc1cc(CC#N)no1;SUXHIYHQQMHVND-UHFFFAOYSA-N;132.12;0.72;;;;;DOPC;MDCG;27;0;"MARTINI bead: SN0_SNa";;;;;;;1.17;;-1.18;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM420449;MM420449;C#CC1OC1C1(F)CC1C;QJXMNFRYYDEHEL-UHFFFAOYSA-N;140.16;1.14;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNa_SNa";;;;;;;0.87;;-2.22;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM420450;MM420450;CNN(C=O)C(C)=COC;VSYRPDSIKHBKBQ-UHFFFAOYSA-N;144.17;0.09;;;;;DOPC;MDCG;27;0;"MARTINI bead: P4_C5";;;;;;;-0.41;;-2.78;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM420451;MM420451;CNCC#CCC1CN1C;FLXXRLXWMWRCKK-UHFFFAOYSA-N;138.21;-0.09;;;;;DOPC;MDCG;27;1;"MARTINI bead: P2_SNd";;;;;;;-0.24;;-4.88;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM420452;MM420452;C=CC(=CC)OC=COC;MNLDVQRHBZRQAC-UHFFFAOYSA-N;140.18;2.21;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_C5";;;;;;;1.64;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM420453;MM420453;CC1=NN(C=N)C2CC12F;AOZAEMCJMAEQGM-UHFFFAOYSA-N;141.15;0.77;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP2_SNa";;;;;;;-0.24;;-3.24;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM420454;MM420454;C#Cc1cc(OC=C)no1;WLYKNTYGMKURLU-UHFFFAOYSA-N;135.12;1.18;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNa_SN0";;;;;;;1.17;;-1.18;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM420455;MM420455;C#CC1OC1C1(F)CC1N;LUZDGOJTIABHNO-UHFFFAOYSA-N;141.15;-0.17;;;;;DOPC;MDCG;27;1;"MARTINI bead: SP1_SNa";;;;;;;0.04;;-3.73;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM420456;MM420456;CCCC#CCN1CC1C;DZOLTXZZTVKMMW-UHFFFAOYSA-N;137.23;1.49;;;;;DOPC;MDCG;27;0;"MARTINI bead: C3_SNd";;;;;;;2.57;;0.54;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM420457;MM420457;CON(C=O)C(C)=CCO;CYOVODCJBCYBJF-UHFFFAOYSA-N;145.16;-0.1;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_Nda";;;;;;;-0.24;;-3.31;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM420458;MM420458;CC=C1C=C(C)C2(C)CC12;GAIMDMZHUUGNJT-UHFFFAOYSA-N;134.22;2.92;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC3_SC3";;;;;;;4.27;;0.2;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM420459;MM420459;C=CC(=CF)OC=COC;WNTBRTKMJDNFTH-UHFFFAOYSA-N;144.15;2.12;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_C4";;;;;;;1.37;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM420460;MM420460;C#Cc1nc(CC=C)co1;KWVGLXRDQVJVTD-UHFFFAOYSA-N;133.15;1.38;;;;;DOPC;MDCG;27;0;"MARTINI bead: SN0_SNa";;;;;;;1.17;;-1.18;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM420461;MM420461;C#CC1OC1C1(C)OC1C;BDRNGBQAXHNIDE-UHFFFAOYSA-N;138.17;0.56;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNa_SNa";;;;;;;0.87;;-2.22;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM420462;MM420462;CC1CN1CC#CCCN;RXNPYXMLGJPRQW-UHFFFAOYSA-N;138.21;0.04;;;;;DOPC;MDCG;27;1;"MARTINI bead: SNd_Nd";;;;;;;0.87;;-4.55;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM420463;MM420463;COC=C(C)N(C=O)OC;CMYSKIHXXIJHMO-UHFFFAOYSA-N;145.16;0.51;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_Na";;;;;;;0.04;;-2.54;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM420464;MM420464;CC=C(C#N)OC=COC;TXPVAIAHODHXJA-UHFFFAOYSA-N;139.15;1.55;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_Na";;;;;;;0.87;;-2.22;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM420465;MM420465;CC=C1C=C(F)C2(C)CC12;CJBWMCHWHUGXBD-UHFFFAOYSA-N;138.19;2.83;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC3_SC4";;;;;;;3.9;;0.47;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM420466;MM420466;C#Cc1nc(CC#N)co1;YIHNEOWNRDUSEJ-UHFFFAOYSA-N;132.12;0.72;;;;;DOPC;MDCG;27;0;"MARTINI bead: SN0_SNa";;;;;;;1.17;;-1.18;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM420467;MM420467;C=CC=CC=NN=CCF;QBFZMRQFZJDENP-UHFFFAOYSA-N;140.16;1.75;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_C1";;;;;;;2.08;;0.48;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM420468;MM420468;C#CC1CN1C1(C)CC1C;ULLRWKRGJKMVKA-UHFFFAOYSA-N;135.21;1.1;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNd_SP3";;;;;;;-1.1;;-3.93;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM420469;MM420469;C=CN(CC)C(C)=NCC;DQOUPYVMNOEWLS-UHFFFAOYSA-N;140.23;1.89;;;;;DOPC;MDCG;27;1;"MARTINI bead: C5_Nd";;;;;;;1.64;;-3.69;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM420470;MM420470;COC=COC(C#N)=CF;ZMFCRTOWUAYTLC-UHFFFAOYSA-N;143.12;1.46;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_Na";;;;;;;0.87;;-2.22;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM420471;MM420471;C#Cc1nc(NC=N)co1;VAVWCPCTTMHLPL-UHFFFAOYSA-N;135.13;0.67;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP2_SN0";;;;;;;0.06;;-2.21;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM420472;MM420472;CC12CC1C(=CF)C=C2F;WWDQCRMPPKDJAM-UHFFFAOYSA-N;142.15;2.73;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC5_SC4";;;;;;;2.97;;0.45;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM420473;MM420473;CNCC#CCN1CC1C;GROLRDDAHOWZSP-UHFFFAOYSA-N;138.21;-0.09;;;;;DOPC;MDCG;27;1;"MARTINI bead: P2_SNd";;;;;;;-0.24;;-4.84;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM420474;MM420474;CC1CC1(C)C(C)C1CC1;HTYQRRMCNTUDKH-UHFFFAOYSA-N;138.25;3.08;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC5_SC3";;;;;;;3.34;;0.48;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM420475;MM420475;CCN=C(C)N(C=N)CC;KUHWOXYZCYJYHL-UHFFFAOYSA-N;141.22;1.35;;;;;DOPC;MDCG;27;1;"MARTINI bead: C5_P2";;;;;;;0.54;;-2.91;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM420476;MM420476;CCC=NOC=NNCC;BCPBMKPCBNCTTN-UHFFFAOYSA-N;143.19;0.95;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nd_Na";;;;;;;0.87;;-1.88;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM420477;MM420477;C#Cc1nc(OC=C)co1;LPOWNTPMMKUCRQ-UHFFFAOYSA-N;135.12;1.18;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNa_SN0";;;;;;;1.17;;-1.18;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM420478;MM420478;COCC#CCN1CC1C;XITBEISVJMLZPB-UHFFFAOYSA-N;139.2;0.34;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_SNd";;;;;;;0.87;;-1.88;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM420479;MM420479;CC=C1C=C(C)C2(N)CC12;DWJKBBVZAGCJLD-UHFFFAOYSA-N;135.21;1.61;;;;;DOPC;MDCG;27;1;"MARTINI bead: SC3_SNd";;;;;;;2.57;;-1.03;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM420480;MM420480;CC1CC1(C)C(N)C1CC1;LZXHANQXOFPXKJ-UHFFFAOYSA-N;139.24;1.77;;;;;DOPC;MDCG;27;1;"MARTINI bead: SC5_SNd";;;;;;;1.64;;-2.73;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM420481;MM420481;C=CN(CC)C(C)=NNC;ATGNALHREGZZOM-UHFFFAOYSA-N;141.22;1;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_Nd";;;;;;;0.87;;-3.73;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM420482;MM420482;C=CC(=CC)OC=NOC;ZQHRJWAVYNQDNW-UHFFFAOYSA-N;141.17;1.68;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_C1";;;;;;;1.8;;0.4;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM420483;MM420483;C#Cc1nc(CC=C)no1;VPZUCSQDUULNBW-UHFFFAOYSA-N;134.14;0.78;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNa_SP1";;;;;;;0.04;;-2.54;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM420484;MM420484;CC1=CC(=CF)C2CC12N;NNXVJEAWEDRMQN-UHFFFAOYSA-N;139.17;1.52;;;;;DOPC;MDCG;27;1;"MARTINI bead: SC4_SNd";;;;;;;2.2;;-1.73;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM420485;MM420485;C=CCC#CCC1CC1C;WXTXWSZOXQQFTM-UHFFFAOYSA-N;134.22;2.61;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC5_C5";;;;;;;2.41;;0.64;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM420486;MM420486;CC(C1CC1)C1(C)CC1F;XGWUHFWSPXHPCQ-UHFFFAOYSA-N;142.22;2.78;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC3_SNa";;;;;;;2.57;;0.45;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM420487;MM420487;C=COC(C)=NNC(C)C;WESAGIZBGOSBAP-UHFFFAOYSA-N;142.2;1.48;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nd_Na";;;;;;;0.87;;-1.88;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM420488;MM420488;C=CCON=CC=NNC;FFXSYSOZDILHMU-UHFFFAOYSA-N;141.17;0.38;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_C5";;;;;;;0.54;;-1.09;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM420489;MM420489;C#Cc1nc(CC#N)no1;LQRMXGAELKBBRW-UHFFFAOYSA-N;133.11;0.12;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP1_SNa";;;;;;;0.04;;-2.54;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM420490;MM420490;CC1CC1CC#CCC#N;KTQCUUWVPJTXMT-UHFFFAOYSA-N;133.19;1.95;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC5_N0";;;;;;;1.94;;0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM420491;MM420491;C=Cn1cc(N)c(N)n1;SHUBKPYTULLICD-UHFFFAOYSA-N;124.15;0.15;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNa_SP2";;;;;;;-0.24;;-3.24;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM420492;MM420492;CC1CC1(N)C(C)C1CC1;UKEVLMFBMUVWIA-UHFFFAOYSA-N;139.24;1.77;;;;;DOPC;MDCG;27;1;"MARTINI bead: SNd_SC3";;;;;;;2.57;;-1.67;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM420493;MM420493;C=NN(CC)C(C)=NCC;VNYKELWMNZCUIJ-UHFFFAOYSA-N;141.22;1.36;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_P1";;;;;;;0.81;;-0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM420494;MM420494;NN=c1occoc1=NN;XUBLHEABRLUAOG-UHFFFAOYSA-N;142.12;-1.58;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP1_SP2";;;;;;;-1.06;;-3.82;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM420495;MM420495;C#CC(C)=CCOC=NN;IQVVIUKEYZDKLK-UHFFFAOYSA-N;138.17;0.48;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_P1";;;;;;;0.81;;-0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM420496;MM420496;C=CCC#CCC1CC1N;FGPKJZNGXKRKRH-UHFFFAOYSA-N;135.21;1.3;;;;;DOPC;MDCG;27;1;"MARTINI bead: SP1_C3";;;;;;;1.74;;-1.93;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM420497;MM420497;CC=C1C=C(C)C2(F)CC12;LDFFKKKOTVEBQV-UHFFFAOYSA-N;138.19;2.62;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC3_SC4";;;;;;;3.9;;0.47;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM420498;MM420498;CC1CC1(C)C(C)C1CO1;KHFIKDNVAPBVCZ-UHFFFAOYSA-N;140.23;2.07;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC5_SNa";;;;;;;1.64;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM420499;MM420499;C#CC(C)CC1(O)CC1C;WGNLEBKRFVNGKW-UHFFFAOYSA-N;138.21;1.42;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4_SNda";;;;;;;2.2;;0.49;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM420500;MM420500;C#Cc1nc(OC=C)no1;SEKLGLMFMACQOY-UHFFFAOYSA-N;136.11;0.57;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNa_SP1";;;;;;;0.04;;-2.54;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM420501;MM420501;C=C(C)CC(O)CC;LZJQEGCYVOMQID-UHFFFAOYSA-N;114.19;1.72;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda_C4";;;;;;;2.2;;0.49;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM420502;MM420502;NN=CC#CC(F)C1CN1;RLUOAAGCCKAJOG-UHFFFAOYSA-N;141.15;-0.76;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda_SP2";;;;;;;-0.24;;-3.31;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM420503;MM420503;CC1OC1(C)C(C)C1CC1;JQXISFPDZSUASV-UHFFFAOYSA-N;140.23;2.21;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNa_SC3";;;;;;;2.57;;0.45;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM420504;MM420504;CC1=CC(=NN)C2CC12C;INZHOZPTRYJXCK-UHFFFAOYSA-N;136.2;1.29;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNd_SC3";;;;;;;2.57;;0.53;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM420505;MM420505;C#CCC1=CCC(C#C)=C1;VYMCDCLHCWYOML-UHFFFAOYSA-N;128.17;1.9;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC4_SC5";;;;;;;2.97;;0.45;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM420506;MM420506;C=CC=C(C)C(C=O)CC;MUSSBZAVUCWMBK-UHFFFAOYSA-N;138.21;2.34;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_C1";;;;;;;3.68;;0.46;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM420507;MM420507;C=CC(=NO)OC=CCC;DXXKFISVJSTHAQ-UHFFFAOYSA-N;141.17;1.9;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_Nda";;;;;;;1.64;;0.05;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM420508;MM420508;N#Cc1c(N)onnc1=N;QLRMIQVGXPTUCJ-UHFFFAOYSA-N;137.1;-1;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP2_SP2";;;;;;;-1.34;;-4.31;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM420509;MM420509;CC(N1CC1)C1(N)CC1O;MGEFKGIIBHNYMX-UHFFFAOYSA-N;142.2;-0.85;;;;;DOPC;MDCG;27;1;"MARTINI bead: SNd_SP2";;;;;;;-0.24;;-4.63;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM420510;MM420510;NC1=CC(=NO)C2CC12N;ATGZVQDJCTXXOY-UHFFFAOYSA-N;139.16;-0.61;;;;;DOPC;MDCG;27;1;"MARTINI bead: SNda_SP1";;;;;;;0.04;;-3.83;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM420511;MM420511;C#CCc1c[nH]c(C#C)c1;JRMXJVOQEWSEOR-UHFFFAOYSA-N;129.16;1.17;;;;;DOPC;MDCG;27;0;"MARTINI bead: SN0_SNd";;;;;;;1.17;;-1.04;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM420512;MM420512;CCC(C#N)C(C)=CC=O;LZMSWPVZCIQZNE-UHFFFAOYSA-N;137.18;1.68;;;;;DOPC;MDCG;27;0;"MARTINI bead: N0_Na";;;;;;;1.17;;-1.18;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM420513;MM420513;C=CC(=NO)OC=CCN;MGKAAXKBZKQHRV-UHFFFAOYSA-N;142.16;0.45;;;;;DOPC;MDCG;27;1;"MARTINI bead: N0_P1";;;;;;;0.34;;-3.51;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM420514;MM420514;N#CCC#CCC1CC1O;MBMUCUOWYORHJA-UHFFFAOYSA-N;135.17;0.67;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP1_N0";;;;;;;0.34;;-1.53;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM420515;MM420515;C=NN=C1C=C(C)CC1;XGULZDALLNGFCA-UHFFFAOYSA-N;122.17;1.78;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC4_SC5";;;;;;;2.97;;0.45;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM420516;MM420516;C=C(C1CC1)C1(C)CC1C;UAZCQXAIGNIJEP-UHFFFAOYSA-N;136.24;3;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC4_SC5";;;;;;;2.97;;0.45;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM420517;MM420517;C#CCc1coc(C#C)c1;CZXZLTYQNORQFV-UHFFFAOYSA-N;130.15;1.44;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC5_SN0";;;;;;;1.94;;0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM420518;MM420518;C=CC=C(C)C(C=C)CN;NTHZNZGMBHKPDT-UHFFFAOYSA-N;137.23;1.88;;;;;DOPC;MDCG;27;1;"MARTINI bead: C1_Nd";;;;;;;2.91;;-0.5;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM420519;MM420519;C=CC(=NO)OC=CCF;JAWUVGQXYDLMFG-UHFFFAOYSA-N;145.13;1.46;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda_Na";;;;;;;0.87;;-1.99;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM420520;MM420520;N#CCC#CCC1CC1F;GYXVRMIWKNBYMI-UHFFFAOYSA-N;137.16;1.65;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNa_N0";;;;;;;1.17;;-1.18;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM420521;MM420521;C=C(C1CC1)C1(C)CC1N;CJKYJCAOWGIHTJ-UHFFFAOYSA-N;137.23;1.69;;;;;DOPC;MDCG;27;1;"MARTINI bead: SNd_SC4";;;;;;;2.2;;-1.69;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM420522;MM420522;CC1=CC(=NO)C2CC12O;KUGUFFSMIJGCQZ-UHFFFAOYSA-N;139.15;0.53;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNda_SNda";;;;;;;0.87;;-2.07;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM420523;MM420523;C#CCc1cc(C#C)[nH]n1;XDVRPACKDYVRAB-UHFFFAOYSA-N;130.15;0.57;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNda_SNd";;;;;;;0.87;;-1.92;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM420524;MM420524;C=CC(CF)C(C)=CC#N;RUIZSNBEDUPUBJ-UHFFFAOYSA-N;139.17;2.23;;;;;DOPC;MDCG;27;0;"MARTINI bead: N0_C5";;;;;;;1.94;;0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM420525;MM420525;C=CCC#CCC1OC1C;GZYKOLCSZDCAOK-UHFFFAOYSA-N;136.19;1.74;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNa_C5";;;;;;;1.64;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM420526;MM420526;CNC(=O)NC(=O)C(=O)O;APOPSBQCJFDMQQ-UHFFFAOYSA-N;146.1;-1.47;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_P2";;;;;;;-1.34;;-8.97;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM420527;MM420527;C=C(C1CC1)C1(N)CC1N;CJEMJGLSVLVDPV-UHFFFAOYSA-N;138.21;0.38;;;;;DOPC;MDCG;27;1;"MARTINI bead: SP3_SC4";;;;;;;0.23;;-2.97;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM420528;MM420528;CCC(C#N)C(N)=CC#N;IMECSCRAYLOQDP-UHFFFAOYSA-N;135.17;0.9;;;;;DOPC;MDCG;27;0;"MARTINI bead: N0_P1";;;;;;;0.34;;-1.53;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM420529;MM420529;C#CC1NC1CC(C)=O;JVVIPYHJFPSZPR-UHFFFAOYSA-N;123.16;-0.06;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_SP3";;;;;;;-1.93;;-4.72;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM420530;MM420530;C#CCc1cc(C#C)on1;MMIOHFOIZJGWFO-UHFFFAOYSA-N;131.13;0.83;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNa_SN0";;;;;;;1.17;;-1.18;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM420531;MM420531;CC1OC1CC#CCC=O;ORPJNXMCZRQSFN-UHFFFAOYSA-N;138.17;0.76;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNa_Na";;;;;;;0.87;;-2.22;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM420532;MM420532;C=CCC(O)CCC;AQTUHJABKZECGA-UHFFFAOYSA-N;114.19;1.72;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda_C4";;;;;;;2.2;;0.49;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM420533;MM420533;C=C(C1CC1)C1(O)CC1O;RXKNKSNWHHVAIS-UHFFFAOYSA-N;140.18;0.45;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP2_SC4";;;;;;;1.09;;-0.38;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM420534;MM420534;C#CCc1coc(C#C)n1;VNIDNPVZJPWJRA-UHFFFAOYSA-N;131.13;0.83;;;;;DOPC;MDCG;27;0;"MARTINI bead: SN0_SNa";;;;;;;1.17;;-1.18;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM420535;MM420535;CC1=CC(=NN)C2CC12F;CKYRBJZCFPIKKJ-UHFFFAOYSA-N;140.16;0.99;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNd_SC4";;;;;;;2.2;;0.32;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM420536;MM420536;C=NOC(C)OC(C)C=O;LSKYHZFGPKOABM-UHFFFAOYSA-N;145.16;0.57;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_P2";;;;;;;0.54;;-1.09;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM420537;MM420537;CC1OC1CC#CCC#N;NCRZVLJALSNCGQ-UHFFFAOYSA-N;135.17;1.08;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNa_N0";;;;;;;1.17;;-1.18;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM420538;MM420538;C=CC(=NO)OC=COC;SNKLWVFHJODRFJ-UHFFFAOYSA-N;143.14;1.09;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_Nda";;;;;;;0.87;;-1.99;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM420539;MM420539;C=C(C1CC1)C1(F)CC1C;JQDQKEMBGZVSRT-UHFFFAOYSA-N;140.2;2.7;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNa_SC4";;;;;;;2.2;;0.34;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM420540;MM420540;C#CCc1noc(C#C)n1;CKYSSZDQEMAUBO-UHFFFAOYSA-N;132.12;0.23;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNa_SP1";;;;;;;0.04;;-2.54;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM420541;MM420541;C=CC(CF)C(N)=CC=O;BRBQSINNXBCEAB-UHFFFAOYSA-N;143.16;0.8;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_C5";;;;;;;0.54;;-1.09;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM420542;MM420542;CC1=CC(=NO)C2CC12F;QEEHPGQPJGFAPA-UHFFFAOYSA-N;141.15;1.5;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNda_SC4";;;;;;;2.2;;0.49;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM420543;MM420543;C=CCC#CCC1CN1C;NUXCUPARPLFUCK-UHFFFAOYSA-N;135.21;1.27;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNd_C5";;;;;;;1.64;;0.03;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM420544;MM420544;CC=CC1=CCC(CC)=C1;MBOKSEQPHOMVIE-UHFFFAOYSA-N;134.22;3.23;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC3_SC3";;;;;;;4.27;;0.2;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM420545;MM420545;C=C(C)C(C)C(C)O;DWYATCNTXOUFFG-UHFFFAOYSA-N;114.19;1.58;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_C1";;;;;;;2.08;;0.48;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM420546;MM420546;C=C(C1CN1)C1(N)CC1N;FHBVDBKJBBMCEJ-UHFFFAOYSA-N;139.2;-1.06;;;;;DOPC;MDCG;27;1;"MARTINI bead: SP2_SP2";;;;;;;-1.34;;-6.16;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM420547;MM420547;NC1=CC(=NO)C2CC12F;QMITUDDSIHDNMC-UHFFFAOYSA-N;142.13;0.4;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNda_SNda";;;;;;;0.87;;-2.07;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM420548;MM420548;C=CC(CF)C(N)=CC#N;XDAFSIDDDLYAIC-UHFFFAOYSA-N;140.16;1.12;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_C5";;;;;;;0.81;;-0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM420549;MM420549;C=NN=CCF;MIYUEVHREOPIFJ-UHFFFAOYSA-N;88.09;0.64;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_P1";;;;;;;0.81;;-0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM420550;MM420550;O=c1nc(O)[nH]c(=O)o1;TYWNQLNRLUVYTH-UHFFFAOYSA-N;130.06;-1.57;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP3_SP3";;;;;;;-3.07;;-10.18;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM420551;MM420551;CC=CC1=CCC(CN)=C1;YVUQKSDTKBRODT-UHFFFAOYSA-N;135.21;1.78;;;;;DOPC;MDCG;27;1;"MARTINI bead: SC3_SNd";;;;;;;2.57;;-0.95;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM420552;MM420552;CCC1CCC2(C)C(C)C12;HQZZMLOMZFCJGZ-UHFFFAOYSA-N;138.25;3.08;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC1_SC4";;;;;;;4.24;;0.42;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM420553;MM420553;C=C(C1CO1)C1(C)CC1C;BOHGSZTYBHTDDT-UHFFFAOYSA-N;138.21;1.99;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC5_SNa";;;;;;;1.64;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM420554;MM420554;CCC(C#N)C(F)=CC#N;MHXJQTXNXCRPKA-UHFFFAOYSA-N;138.15;1.91;;;;;DOPC;MDCG;27;0;"MARTINI bead: N0_Na";;;;;;;1.17;;-1.18;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM420555;MM420555;C#Cc1oncc1N;NCESRLWTNUIPMQ-UHFFFAOYSA-N;108.1;0.24;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP1_SNa";;;;;;;0.04;;-2.54;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM420556;MM420556;C=CC(=NO)ON=CCO;REALYEHWKPEYMG-UHFFFAOYSA-N;144.13;-0.05;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_Nda";;;;;;;0.04;;-2.73;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM420557;MM420557;CC=CC1=CCC(CO)=C1;FATCRGRZHWUMRC-UHFFFAOYSA-N;136.19;1.81;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC3_SNda";;;;;;;2.57;;0.44;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM420558;MM420558;C=C(C1CC1)C1(C)OC1C;VJRSZZUQGSMKRG-UHFFFAOYSA-N;138.21;2.13;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNa_SC5";;;;;;;1.64;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM420559;MM420559;C=CC=C(F)C(C=C)CN;RMPHKRQPQGOOBD-UHFFFAOYSA-N;141.19;1.79;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_C4";;;;;;;2.2;;-2.07;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM420560;MM420560;CC1C2C(CF)CCC12C;JPSBXYCCDISJAI-UHFFFAOYSA-N;142.22;2.64;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC3_SC4";;;;;;;3.9;;0.47;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM420561;MM420561;C=CCC#CCN1CC1C;OELHTPWCFVSEON-UHFFFAOYSA-N;135.21;1.27;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNd_C5";;;;;;;1.64;;0.03;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM420562;MM420562;O=c1cc(O)oc(=O)cn1;CMFJPJHFUWZKKD-UHFFFAOYSA-N;141.08;-0.9;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP2_SP2";;;;;;;-1.34;;-8.97;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM420563;MM420563;CC12CCC(CO)C1C2N;MZFLYQVRJCMKTL-UHFFFAOYSA-N;141.21;0.35;;;;;DOPC;MDCG;27;1;"MARTINI bead: SNd_SC5";;;;;;;1.64;;-1.94;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM420564;MM420564;CC1CC1(C)C(=N)N1CC1;AXYYEJPIVCDOKK-UHFFFAOYSA-N;138.21;1.33;;;;;DOPC;MDCG;27;1;"MARTINI bead: SC5_SP2";;;;;;;0.54;;-5.18;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM420565;MM420565;C=CC=C(F)C(C=C)CO;HYJBYJBEALBQMV-UHFFFAOYSA-N;142.17;1.82;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda_C4";;;;;;;2.2;;0.49;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM420566;MM420566;CC=CC1=CCC(CF)=C1;UTLODSPFAORZLU-UHFFFAOYSA-N;138.19;2.79;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC3_SC5";;;;;;;3.34;;0.48;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM420567;MM420567;N#CCCC(=O)C(=N)N;OBTBWTCYIWLCAL-UHFFFAOYSA-N;125.13;-0.2;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_P1";;;;;;;-1.06;;-3.82;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM420568;MM420568;CONC(=O)C(F)C=O;WKCFHITWYOLLQV-UHFFFAOYSA-N;135.09;-0.8;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_Na";;;;;;;-0.24;;-7.92;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM420569;MM420569;C#CC(F)=CCOC=NN;VEXFYTVJVRFKDH-UHFFFAOYSA-N;142.13;0.39;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_C5";;;;;;;0.81;;-0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM420570;MM420570;C=CC=C(C)C(C=C)NC;JEFLEPBSCCWKOK-UHFFFAOYSA-N;137.23;1.89;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_N0";;;;;;;1.17;;-2.92;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM420571;MM420571;CC12CCC(CO)C1C2F;ZSIKYLDSPDFFRR-UHFFFAOYSA-N;144.19;1.36;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC4_SC5";;;;;;;2.97;;0.45;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM420572;MM420572;CC1(C(=N)N2CC2)CC1O;IEVFXBCUSBCQBA-UHFFFAOYSA-N;140.19;0.05;;;;;DOPC;MDCG;27;1;"MARTINI bead: SNda_SP2";;;;;;;-0.24;;-6.81;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM420573;MM420573;CCn1nc(N)c(=O)o1;JZYYFNRPTSEHJK-UHFFFAOYSA-N;129.12;-0.56;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP2_SP2";;;;;;;-1.34;;-4.31;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM420574;MM420574;O=CC=CNC(=O)C(=O)O;KESOAFQEUMXOHZ-UHFFFAOYSA-N;143.1;-1.1;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_Na";;;;;;;-0.24;;-7.92;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM420575;MM420575;C=CC1(C)CC1OC=NN;DLYREIMMFMULEO-UHFFFAOYSA-N;140.19;0.87;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC4_P1";;;;;;;1.37;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM420576;MM420576;CC1C2C(CO)CCC12N;YACNUFPVERWURB-UHFFFAOYSA-N;141.21;0.35;;;;;DOPC;MDCG;27;1;"MARTINI bead: SC5_SNd";;;;;;;1.64;;-2.54;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM420577;MM420577;C=CC(OC)C(N)=CC=O;CAYFNCOIXRLJMH-UHFFFAOYSA-N;141.17;0.23;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_Na";;;;;;;0.04;;-2.54;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM420578;MM420578;N=C(N1CC1)C1(O)CC1O;OQBKRWSFJIPQJH-UHFFFAOYSA-N;142.16;-1.23;;;;;DOPC;MDCG;27;1;"MARTINI bead: SP2_SP2";;;;;;;-1.34;;-6.54;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM420579;MM420579;C#CCC#CCC1CC1C;SCRJYDZVUORLEH-UHFFFAOYSA-N;132.21;2.06;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC5_N0";;;;;;;1.94;;0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM420580;MM420580;Cc1n[nH]c(C)c1N;LNVWRBNPXCUYJI-UHFFFAOYSA-N;111.15;0.61;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNda_SP1";;;;;;;0.04;;-2.73;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM420581;MM420581;CC(OC=NN)C1(C)CC1;ISKSQFDEBGYWMY-UHFFFAOYSA-N;142.2;1.09;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda_SC5";;;;;;;1.64;;0.05;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM420582;MM420582;CN=CN(C)N=C(N)C=O;LFTOAQYBLYFMBH-UHFFFAOYSA-N;142.16;-0.95;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_P2";;;;;;;-1.34;;-4.31;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM420583;MM420583;NCC1CCC2(N)C(N)C12;CHEKGKYBIUMPNF-UHFFFAOYSA-N;141.22;-0.99;;;;;DOPC;MDCG;27;1;"MARTINI bead: SC5_SP2";;;;;;;0.54;;-3.97;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM420584;MM420584;C#CCC#CCC1CC1N;PGKDAQPOPRJJFZ-UHFFFAOYSA-N;133.19;0.75;;;;;DOPC;MDCG;27;1;"MARTINI bead: SP1_C3";;;;;;;1.74;;-1.93;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM420585;MM420585;C=C(C1CC1)C1(C)CN1C;FGUVNASRHDWNOT-UHFFFAOYSA-N;137.23;1.66;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNd_SC4";;;;;;;2.2;;0.35;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM420586;MM420586;C=NN=C(C)C(C#N)CC;GQSCMDBLNLITQU-UHFFFAOYSA-N;137.19;1.61;;;;;DOPC;MDCG;27;0;"MARTINI bead: N0_C5";;;;;;;1.94;;0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM420587;MM420587;O=CC(O)CC#CC(=O)O;OELXJYASEGAMGX-UHFFFAOYSA-N;142.11;-0.98;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_P1";;;;;;;-1.06;;-8.46;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM420588;MM420588;CC=CC1=CCC(OC)=C1;BHTGQUDIZOEILJ-UHFFFAOYSA-N;136.19;2.42;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC5_SC3";;;;;;;3.34;;0.48;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM420589;MM420589;NC1C2C(CO)CCC12N;RTVMEQSVONCXLL-UHFFFAOYSA-N;142.2;-0.96;;;;;DOPC;MDCG;27;1;"MARTINI bead: SC5_SP2";;;;;;;0.54;;-3.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM420590;MM420590;CC(C)C1(C)CC1C1CC1;AHAQDXVDFSXJIG-UHFFFAOYSA-N;138.25;3.08;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC3_SC5";;;;;;;3.34;;0.48;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM420591;MM420591;Cn1ccc(N)nc1=O;HWPZZUQOWRWFDB-UHFFFAOYSA-N;125.13;-0.64;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP1_SP1";;;;;;;-0.79;;-3.13;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM420592;MM420592;C=CC=CCC(C=C)=CC;LKHWUZGVPRJIMF-UHFFFAOYSA-N;134.22;3.25;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1_C4";;;;;;;4.24;;0.42;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM420593;MM420593;C=C(OC=NN)C1(C)CO1;YSUIPYUMHOKHNL-UHFFFAOYSA-N;142.16;0.21;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNa_Nda";;;;;;;0.87;;-1.99;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM420594;MM420594;C=CC(CN)C(C)=NN=C;IVAYCMQOJLFNHN-UHFFFAOYSA-N;139.2;0.82;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1_C5";;;;;;;0.81;;-2.87;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM420595;MM420595;NC1C2C(CF)CCC12N;ACEQHJJLOSAPFN-UHFFFAOYSA-N;144.19;0.02;;;;;DOPC;MDCG;27;1;"MARTINI bead: SC3_SP2";;;;;;;1.46;;-2.3;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM420596;MM420596;CC(N)C1(C)CC1C1CC1;AKXMNMXLGHKTEB-UHFFFAOYSA-N;139.24;1.77;;;;;DOPC;MDCG;27;1;"MARTINI bead: SNd_SC5";;;;;;;1.64;;-2.63;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM420597;MM420597;C#CCC#CCC1CC1F;XNHYGCWCLHASCJ-UHFFFAOYSA-N;136.17;1.76;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNa_C3";;;;;;;2.57;;0.45;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM420598;MM420598;CCCC1CC(O)(CC)C1;MLRZRCKTDCSXOB-UHFFFAOYSA-N;142.24;2.34;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC1_SNda";;;;;;;2.91;;0.57;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM420599;MM420599;C=CC(=CC)CC=CC#N;JXGVMDYRKFZTJW-UHFFFAOYSA-N;133.19;2.59;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1_N0";;;;;;;3.21;;0.46;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM420600;MM420600;CC=Cc1c[nH]c(CC)c1;DHFSSHAZYKEKKM-UHFFFAOYSA-N;135.21;2.61;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC5_SC5";;;;;;;2.41;;0.64;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM420601;MM420601;CC1C2C(CN)CCC12O;PIYGMHOSGQIASI-UHFFFAOYSA-N;141.21;0.35;;;;;DOPC;MDCG;27;1;"MARTINI bead: SC5_SNda";;;;;;;1.64;;-2.38;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM420602;MM420602;CN(C)C1(C)CC1C1CC1;UKXCWOJUXABRRQ-UHFFFAOYSA-N;139.24;1.74;;;;;DOPC;MDCG;27;1;"MARTINI bead: SNd_SC5";;;;;;;1.64;;-2.31;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM420603;MM420603;C#CCC#CCC1OC1C;VWONWMZFPZPPLI-UHFFFAOYSA-N;134.18;1.19;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNa_C3";;;;;;;2.57;;0.45;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM420604;MM420604;C=CC(C=C)C(C)C(C)O;MEEMCZHERZAZLG-UHFFFAOYSA-N;140.23;1.99;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda_C2";;;;;;;2.83;;0.57;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM420605;MM420605;C=CC=CCC(C=C)=CF;MEBSRPWWIYNFIF-UHFFFAOYSA-N;138.19;3.16;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4_C1";;;;;;;4.24;;0.42;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM420606;MM420606;CC=Cc1c[nH]c(CN)c1;MIVJORZXLBGPAM-UHFFFAOYSA-N;136.2;1.51;;;;;DOPC;MDCG;27;1;"MARTINI bead: SC5_SP1";;;;;;;0.81;;-1.89;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM420607;MM420607;CCC1CCC2(O)C(N)C12;XSXYLJWOIHWIMF-UHFFFAOYSA-N;141.21;0.49;;;;;DOPC;MDCG;27;1;"MARTINI bead: SC1_SP1";;;;;;;2.08;;-0.43;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM420608;MM420608;CC(N)C1(F)CC1C1CN1;WXWMXDISFAPUMD-UHFFFAOYSA-N;144.19;0.03;;;;;DOPC;MDCG;27;1;"MARTINI bead: SNda_SP2";;;;;;;-0.24;;-5.12;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM420609;MM420609;C#CCC#CCC1CN1C;SQVJEYPHCPFNED-UHFFFAOYSA-N;133.19;0.72;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNd_N0";;;;;;;1.17;;-1.04;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM420610;MM420610;C=NN=C(C)C(C=O)OC;IKPHAPLGXMIANO-UHFFFAOYSA-N;142.16;0.28;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_C5";;;;;;;0.81;;-0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM420611;MM420611;C=CC(=CF)CC=CC#N;QDWXNZODKFQDHU-UHFFFAOYSA-N;137.16;2.5;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4_N0";;;;;;;2.5;;0.44;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM420612;MM420612;CC=Cc1c[nH]c(CO)c1;IHLMROWCGJZZKG-UHFFFAOYSA-N;137.18;1.54;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC5_SNda";;;;;;;1.64;;0.05;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM420613;MM420613;OCC1CCC2(O)C(O)C12;GXPOXFXMQYWCKA-UHFFFAOYSA-N;144.17;-0.89;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC5_SP1";;;;;;;0.81;;-0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM420614;MM420614;CC(C)C1(C)CC1C1CO1;CIMMXLOQKCHFPA-UHFFFAOYSA-N;140.23;2.07;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC3_SNa";;;;;;;2.57;;0.45;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM420615;MM420615;C#CCC#CCN1CC1C;PUFXCDRJXRYXPN-UHFFFAOYSA-N;133.19;0.72;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNd_N0";;;;;;;1.17;;-1.04;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM420616;MM420616;C=NN=C(C)C(C#N)OC;JPECEORLSVGYOS-UHFFFAOYSA-N;139.16;0.6;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_C5";;;;;;;0.81;;-0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM420617;MM420617;C=CC=CCC(C=O)=CC;MKJHSMPRWAWRQU-UHFFFAOYSA-N;136.19;2.26;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_C1";;;;;;;2.91;;0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM420618;MM420618;CCC1CCC2(F)C(C)C12;QHBYLZYZEXOFTL-UHFFFAOYSA-N;142.22;2.78;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC1_SC4";;;;;;;4.24;;0.42;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM420619;MM420619;CC=Cc1c[nH]c(CF)c1;XKXUJSKXEKWQGN-UHFFFAOYSA-N;139.17;2.52;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC5_SNda";;;;;;;1.64;;0.05;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM420620;MM420620;CC(N)C1(C)CC1C1CO1;XZCZMJKYVXDGTF-UHFFFAOYSA-N;141.21;0.76;;;;;DOPC;MDCG;27;1;"MARTINI bead: SNd_SNa";;;;;;;0.87;;-4.61;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM420621;MM420621;CC=CC#CCC1CC1C;ZTPREOBKYSRKBF-UHFFFAOYSA-N;134.22;2.61;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4_SC5";;;;;;;2.97;;0.45;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM420622;MM420622;CCN(C=N)C(C)=CC=O;VERVNMXDGRUIGM-UHFFFAOYSA-N;140.19;1.02;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_Na";;;;;;;0.87;;-4.66;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM420623;MM420623;C=CC=CCC(C#N)=CC;TWYRRTXZXLKURT-UHFFFAOYSA-N;133.19;2.59;;;;;DOPC;MDCG;27;0;"MARTINI bead: N0_C1";;;;;;;3.21;;0.46;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM420624;MM420624;CC1C2C(CN)CCC12F;WCEKILKZXJYIGX-UHFFFAOYSA-N;143.21;1.33;;;;;DOPC;MDCG;27;1;"MARTINI bead: SC5_SC5";;;;;;;2.41;;-0.49;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM420625;MM420625;CC1(CCOC=NN)CC1;OYWXUGMPLXPRSP-UHFFFAOYSA-N;142.2;1.1;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC4_P1";;;;;;;1.37;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM420626;MM420626;CN(C)C1(C)CC1C1CO1;LKYMNVOTHKPPRR-UHFFFAOYSA-N;141.21;0.73;;;;;DOPC;MDCG;27;1;"MARTINI bead: SNd_SNa";;;;;;;0.87;;-3.98;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM420627;MM420627;CC1CC1CC#CC=CF;SQYWXTROHSXNPV-UHFFFAOYSA-N;138.19;2.52;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC5_C5";;;;;;;2.41;;0.64;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM420628;MM420628;C=NN(CC)C(N)=CC=O;WBJCEQLEDKKXFE-UHFFFAOYSA-N;141.17;-0.08;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_Na";;;;;;;-0.24;;-3.24;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM420629;MM420629;CC=C(C=O)CC=CC#N;FVWXPKIAHLGGBU-UHFFFAOYSA-N;135.17;1.6;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_N0";;;;;;;1.17;;-1.18;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM420630;MM420630;C=COC(=NN)C(=C)CF;MJUINLDSGQPAQJ-UHFFFAOYSA-N;144.15;0.94;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda_Na";;;;;;;0.87;;-1.99;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM420631;MM420631;CC1C2C(CF)CCC12F;LSFRAKICLLRIPD-UHFFFAOYSA-N;146.18;2.34;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC3_SC5";;;;;;;3.34;;0.48;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM420632;MM420632;CC=CC#CCC1CC1N;VHRMOANPNDPMDA-UHFFFAOYSA-N;135.21;1.3;;;;;DOPC;MDCG;27;1;"MARTINI bead: C1_SP1";;;;;;;2.08;;-0.99;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM420633;MM420633;CC(N)C1(C)CC1N1CC1;LHNAFTFXJGFRQZ-UHFFFAOYSA-N;140.23;0.43;;;;;DOPC;MDCG;27;1;"MARTINI bead: SNd_SP1";;;;;;;0.04;;-5.02;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM420634;MM420634;CNN(C=O)C(C)=CC=O;SMLCSZCQIUWDCB-UHFFFAOYSA-N;142.16;-0.32;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_Na";;;;;;;-0.24;;-3.24;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM420635;MM420635;CC=C(C#N)CC=CC#N;WMTNQVDNMUMKFK-UHFFFAOYSA-N;132.17;1.93;;;;;DOPC;MDCG;27;0;"MARTINI bead: N0_N0";;;;;;;1.47;;-0.05;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM420636;MM420636;CC#CC(=NN)C(=O)OC;IZGTYOMSSRLTSI-UHFFFAOYSA-N;140.14;-0.5;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_N0";;;;;;;0.34;;-1.53;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM420637;MM420637;NC1C2C(CO)CCC12F;SBBJJEGRBFKWCG-UHFFFAOYSA-N;145.18;0.05;;;;;DOPC;MDCG;27;1;"MARTINI bead: SC5_SP1";;;;;;;0.81;;-1.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM420638;MM420638;CC=CC#CCC1CC1O;OOUGXFCUYOFGIW-UHFFFAOYSA-N;136.19;1.34;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1_SP1";;;;;;;2.08;;0.48;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM420639;MM420639;CC(O)C1(N)CC1N1CC1;PKYHARPZUZMANK-UHFFFAOYSA-N;142.2;-0.85;;;;;DOPC;MDCG;27;1;"MARTINI bead: SP1_SP1";;;;;;;-0.79;;-4.64;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM420640;MM420640;CNN(C=N)C(N)=CC=O;UDUUXCLNSNIQQZ-UHFFFAOYSA-N;142.16;-0.97;;;;;DOPC;MDCG;27;1;"MARTINI bead: P4_Na";;;;;;;-1.19;;-7.44;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM420641;MM420641;C=CC=CCC(C=O)=CN;KKQPBFRBPIWOIY-UHFFFAOYSA-N;137.18;1.16;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_C4";;;;;;;1.37;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM420642;MM420642;NC1C2C(CF)CCC12F;SHUDUPCRZJAQLP-UHFFFAOYSA-N;147.17;1.03;;;;;DOPC;MDCG;27;1;"MARTINI bead: SC3_SP1";;;;;;;1.74;;-0.68;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM420643;MM420643;C=COC(=NN)C(C)=CN;NKYSRPFTBBMJSJ-UHFFFAOYSA-N;141.17;0.28;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_C5";;;;;;;0.54;;-1.09;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM420644;MM420644;CC=CC#CCC1CC1F;QIJUVAUIWHMLLK-UHFFFAOYSA-N;138.19;2.31;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1_SNa";;;;;;;2.91;;0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM420645;MM420645;COC(=O)C(C)=NN;JCNJVMYCOMCSOU-UHFFFAOYSA-N;116.12;-0.51;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_Nd";;;;;;;0.04;;-2.63;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM420646;MM420646;CNN(C=N)C(N)=CC#N;TUXPGBAONZHOIX-UHFFFAOYSA-N;139.16;-0.65;;;;;DOPC;MDCG;27;1;"MARTINI bead: P2_P2";;;;;;;-1.34;;-6.93;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM420647;MM420647;C=CC=CCC(C#N)=CN;PEWPIGHVFUOGFR-UHFFFAOYSA-N;134.18;1.48;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_C4";;;;;;;1.37;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM420648;MM420648;NCC1CCC2(F)C(O)C12;SWNOSKPGVWUQNS-UHFFFAOYSA-N;145.18;0.05;;;;;DOPC;MDCG;27;1;"MARTINI bead: SC5_SNda";;;;;;;1.64;;-2.38;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM420649;MM420649;CC=Cc1c[nH]c(OC)c1;RIQJSIYDDJGNKA-UHFFFAOYSA-N;137.18;2.06;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNda_SC5";;;;;;;1.64;;0.05;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM420650;MM420650;CC1CC1CC#CC=NN;SEMZEOIQFMLJDB-UHFFFAOYSA-N;136.2;0.98;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC5_P1";;;;;;;0.81;;-0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM420651;MM420651;CN(C)C1(C)CC1N1CC1;HRUCFTSFXQLJKU-UHFFFAOYSA-N;140.23;0.39;;;;;DOPC;MDCG;27;1;"MARTINI bead: SNd_SP1";;;;;;;0.04;;-3.97;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM420652;MM420652;CNN(C=O)C(N)=CC=O;DMJBJWDLRUFCJT-UHFFFAOYSA-N;143.15;-1.42;;;;;DOPC;MDCG;27;0;"MARTINI bead: P4_Na";;;;;;;-1.19;;-4.76;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM420653;MM420653;N#CC=CCC(C=O)=CN;GKRUICVJVCDOGR-UHFFFAOYSA-N;136.15;0.5;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_N0";;;;;;;0.34;;-1.53;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM420654;MM420654;CNC1CCC2(N)C(C)C12;FIUQDNSZCKOPLS-UHFFFAOYSA-N;140.23;0.33;;;;;DOPC;MDCG;27;1;"MARTINI bead: SNd_SNd";;;;;;;0.87;;-5.19;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM420655;MM420655;CCOC(CC)OC=NN;KZTLBLXIPAERLA-UHFFFAOYSA-N;146.19;0.68;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_P1";;;;;;;0.81;;-0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM420656;MM420656;C=C(C)C1(C)CC1C1CC1;RNWHWQOTKJDNGX-UHFFFAOYSA-N;136.24;3;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC3_SC5";;;;;;;3.34;;0.48;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM420657;MM420657;CC1CC1CC#CC=NO;RAEDVVZEIHCYDM-UHFFFAOYSA-N;137.18;1.5;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC5_P1";;;;;;;0.81;;-0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM420658;MM420658;CON(C=N)C(N)=CC=O;OLBVSMVGXOGCSS-UHFFFAOYSA-N;143.15;-0.54;;;;;DOPC;MDCG;27;1;"MARTINI bead: P5_Na";;;;;;;-1.11;;-6.93;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM420659;MM420659;N#CC=CCC(C#N)=CN;XJJPWUMZRHGYAA-UHFFFAOYSA-N;133.15;0.82;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_N0";;;;;;;0.34;;-1.53;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM420660;MM420660;CNC1CCC2(N)C(N)C12;RIQFCSVBWDXNOZ-UHFFFAOYSA-N;141.22;-0.98;;;;;DOPC;MDCG;27;1;"MARTINI bead: SNd_SP2";;;;;;;-0.24;;-5.79;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM420661;MM420661;CC=Cc1coc(CC)c1;VWCYBTNUJNHXLQ-UHFFFAOYSA-N;136.19;2.88;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC4_SC4";;;;;;;3.53;;0.53;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM420662;MM420662;CC1(C(=N)N)CC1C1CC1;AGKVSVBOXYLSLE-UHFFFAOYSA-N;138.21;1.36;;;;;DOPC;MDCG;27;1;"MARTINI bead: SNd_SC5";;;;;;;1.64;;-5.03;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM420663;MM420663;NC1CC1CC#CC=NO;VRYLIGIKPIWCDY-UHFFFAOYSA-N;138.17;0.19;;;;;DOPC;MDCG;27;1;"MARTINI bead: SNd_P1";;;;;;;0.04;;-4.96;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM420664;MM420664;C=CC=CCC(C=O)=CF;LIJZCIJIDTUFQJ-UHFFFAOYSA-N;140.16;2.17;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_C4";;;;;;;2.2;;0.34;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM420665;MM420665;C=CN(CC)C(C)=NC=O;FIFYJXCAVQAWGE-UHFFFAOYSA-N;140.19;1.03;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nd_Na";;;;;;;0.87;;-1.88;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM420666;MM420666;CNC1CCC2(O)C(C)C12;SSUSHJKQLIWOMB-UHFFFAOYSA-N;141.21;0.37;;;;;DOPC;MDCG;27;1;"MARTINI bead: SNd_SNda";;;;;;;0.87;;-4.67;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM420667;MM420667;CC=Cc1coc(CO)c1;QFZCRJPMYZJBLM-UHFFFAOYSA-N;138.17;1.81;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC4_SNda";;;;;;;2.2;;0.49;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM420668;MM420668;C=C(C)C1(N)CC1C1CC1;YSIIQMKCSDFVST-UHFFFAOYSA-N;137.23;1.69;;;;;DOPC;MDCG;27;1;"MARTINI bead: SNd_SC5";;;;;;;1.64;;-2.28;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM420669;MM420669;N#CCN1CC(F)C=N1;ABDYZUKTSIFGNT-UHFFFAOYSA-N;127.12;0.15;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP1_SP1";;;;;;;-0.79;;-3.13;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM420670;MM420670;C=CC=CCC(C#N)=CF;DLUDHYSPCHBBRJ-UHFFFAOYSA-N;137.16;2.5;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_C1";;;;;;;2.91;;0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM420671;MM420671;CCN(C=O)C(C)=NC=N;SAGBIOURCSLWSY-UHFFFAOYSA-N;141.17;0.49;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_Nd";;;;;;;-0.24;;-3.16;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM420672;MM420672;CC=Cc1coc(CF)c1;WNQKFKJBPSEFOD-UHFFFAOYSA-N;140.16;2.78;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC4_SC5";;;;;;;2.97;;0.45;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM420673;MM420673;CNC1CCC2(O)C(O)C12;PYIQMEKZRNGTKK-UHFFFAOYSA-N;143.19;-0.91;;;;;DOPC;MDCG;27;1;"MARTINI bead: SNd_SP1";;;;;;;0.04;;-4.87;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM420674;MM420674;N=C(N)C1(N)CC1C1CC1;NUUZISXFZHMKNE-UHFFFAOYSA-N;139.2;0.05;;;;;DOPC;MDCG;27;1;"MARTINI bead: SP2_SC5";;;;;;;0.54;;-4.84;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM420675;MM420675;CC=CC#CCC1OC1C;YMNSXOVGZJENLU-UHFFFAOYSA-N;136.19;1.74;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1_SNa";;;;;;;2.91;;0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM420676;MM420676;O=CC=CCC(C=O)=CF;FSTLZKCVWMPRDV-UHFFFAOYSA-N;142.13;1.18;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_Na";;;;;;;0.87;;-2.22;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM420677;MM420677;CCc1cc(C=NN)co1;MHHUJGVQULFFIR-UHFFFAOYSA-N;138.17;1.13;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC4_SNd";;;;;;;2.2;;0.32;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM420678;MM420678;CCN(C=O)C(C)=NC=O;XTMJQRKSTOBOKE-UHFFFAOYSA-N;142.16;0.04;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_P3";;;;;;;-0.33;;-2.01;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM420679;MM420679;CNC1CCC2(F)C(O)C12;OEQATYZQPVCHGB-UHFFFAOYSA-N;145.18;0.07;;;;;DOPC;MDCG;27;1;"MARTINI bead: SNd_SNda";;;;;;;0.87;;-4.31;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM420680;MM420680;C#CCN1CC(F)C=N1;QKZFYHMPBYNVOA-UHFFFAOYSA-N;126.13;0.26;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP1_SP1";;;;;;;-0.79;;-3.13;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM420681;MM420681;N#CC=CCC(C=O)=CF;LXWPKXGWWZJAGB-UHFFFAOYSA-N;139.13;1.51;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_N0";;;;;;;1.17;;-1.18;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM420682;MM420682;NN=CC(=O)N1CC1;UXGFTGCOIYSFRJ-UHFFFAOYSA-N;113.12;-1.23;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_SP2";;;;;;;-1.06;;-3.82;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM420683;MM420683;C=COC(CC)OC=NN;NQBPUYYSQPIOGC-UHFFFAOYSA-N;144.17;0.8;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_P1";;;;;;;0.81;;-0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM420684;MM420684;COC1CCC2(C)C(C)C12;UFHNGBGZKBFQEN-UHFFFAOYSA-N;140.23;2.07;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC5_SC4";;;;;;;2.97;;0.45;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM420685;MM420685;C=CN(CC)C(C)=NN=C;DFYUAYRFBQABMI-UHFFFAOYSA-N;139.2;1.49;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nd_C5";;;;;;;1.64;;0.02;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM420686;MM420686;CC1OC1CC#CC=NO;XHHSAFLEXFKSCF-UHFFFAOYSA-N;139.15;0.63;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNa_P1";;;;;;;0.04;;-2.54;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM420687;MM420687;N#CC=CCC(C#N)=CF;CFIPGAQWAPODEI-UHFFFAOYSA-N;136.13;1.83;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_N0";;;;;;;1.17;;-1.18;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM420688;MM420688;N=C(N)C1(O)CC1C1CC1;FYLCQCFQRBUSOK-UHFFFAOYSA-N;140.19;0.08;;;;;DOPC;MDCG;27;1;"MARTINI bead: SP2_SC5";;;;;;;0.54;;-4.88;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM420689;MM420689;NN=Cc1coc(CF)c1;BOSPCJBYAMEAJC-UHFFFAOYSA-N;142.13;1.04;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNd_SC5";;;;;;;1.64;;0.02;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM420690;MM420690;C=NN(CC)C(C)=NC=N;HDFFSWOJHISWDX-UHFFFAOYSA-N;140.19;0.95;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_Nd";;;;;;;0.04;;-2.63;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM420691;MM420691;COC1CCC2(O)C(C)C12;LOQJGRVMVPSPIT-UHFFFAOYSA-N;142.2;0.79;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC5_SNda";;;;;;;1.64;;0.05;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM420692;MM420692;CC=CC#CCC1CN1C;CXEMOHMWAGWHSD-UHFFFAOYSA-N;135.21;1.27;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4_SNd";;;;;;;2.2;;0.33;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM420693;MM420693;C=CC(=CC)CC=NN=C;SUORZEWCUOSYSS-UHFFFAOYSA-N;136.2;2.2;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1_C5";;;;;;;3.68;;0.46;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM420694;MM420694;C=C(C)C1(N)CC1C1CN1;LAOKAXBJCJGRNT-UHFFFAOYSA-N;138.21;0.25;;;;;DOPC;MDCG;27;1;"MARTINI bead: SNd_SP2";;;;;;;-0.24;;-5.21;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM420695;MM420695;CC=Cc1coc(NC)c1;PYSYASFASMCSMN-UHFFFAOYSA-N;137.18;2.35;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNd_SC4";;;;;;;2.2;;0.32;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM420696;MM420696;C=NN=C(C)N(CC)N=C;SNIXTTFTLNDQDT-UHFFFAOYSA-N;140.19;0.96;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_C5";;;;;;;0.81;;-0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM420697;MM420697;COC1CCC2(F)C(C)C12;MLMJORDCPWMEOY-UHFFFAOYSA-N;144.19;1.77;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC5_SC4";;;;;;;2.97;;0.45;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM420698;MM420698;C=CC(=CF)CC=NN=C;OSOIMKBYMHMHGM-UHFFFAOYSA-N;140.16;2.1;;;;;DOPC;MDCG;27;0;"MARTINI bead: C2_N0";;;;;;;3.13;;0.3;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM420699;MM420699;CN1CC1CC#CC=NN;CCZJFVVWHBMBRP-UHFFFAOYSA-N;137.19;-0.36;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNd_P1";;;;;;;0.04;;-2.63;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM420700;MM420700;N=C(N)C1(N)CC1C1CN1;WJTIPLIGLULTRC-UHFFFAOYSA-N;140.19;-1.39;;;;;DOPC;MDCG;27;1;"MARTINI bead: SP2_SP2";;;;;;;-1.34;;-8.03;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM420701;MM420701;CC=Cc1coc(OC)c1;IYZONFKMKFNXGV-UHFFFAOYSA-N;138.17;2.32;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNa_SC4";;;;;;;2.2;;0.34;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM420702;MM420702;CNN(C=O)C(C)=NC=O;VMVQJXVTNFAHHE-UHFFFAOYSA-N;143.15;-0.85;;;;;DOPC;MDCG;27;0;"MARTINI bead: P4_Na";;;;;;;-1.19;;-4.76;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM420703;MM420703;COC1CCC2(F)C(N)C12;KLWLNORYNIUUDU-UHFFFAOYSA-N;145.18;0.46;;;;;DOPC;MDCG;27;1;"MARTINI bead: SC5_SNda";;;;;;;1.64;;-1.14;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM420704;MM420704;C=NN=CCC(C=O)=CC;BDXPVCGITAEZQU-UHFFFAOYSA-N;138.17;1.21;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_N0";;;;;;;1.17;;-1.18;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM420705;MM420705;C=C(C)C1(C)CC1C1CO1;JNZFBAUJVSHTDS-UHFFFAOYSA-N;138.21;1.99;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC3_SNa";;;;;;;2.57;;0.45;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM420706;MM420706;CC=CC#CCN1CC1C;OAXXIOWWFOGICE-UHFFFAOYSA-N;135.21;1.27;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4_SNd";;;;;;;2.2;;0.32;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM420707;MM420707;CCC(OC=O)OC=NN;LBCRICVAVBOHER-UHFFFAOYSA-N;146.15;-0.19;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_Nda";;;;;;;0.04;;-2.73;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM420708;MM420708;C=NN=C(C)N(C=O)NC;VBUGUQVMUDJGNQ-UHFFFAOYSA-N;142.16;-0.39;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_Na";;;;;;;-0.24;;-3.24;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM420709;MM420709;CCC1NCC2(C)C(C)C12;PDYMWKBXTFKBCS-UHFFFAOYSA-N;139.24;1.64;;;;;DOPC;MDCG;27;1;"MARTINI bead: SNd_SN0";;;;;;;1.17;;-4.85;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM420710;MM420710;C=NN=CCC(C#N)=CC;KEQDMCXCYIFAJM-UHFFFAOYSA-N;135.17;1.53;;;;;DOPC;MDCG;27;0;"MARTINI bead: N0_C5";;;;;;;1.94;;0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM420711;MM420711;CC1(C(=N)N)CC1C1CO1;SZBNSWFJHKFQBT-UHFFFAOYSA-N;140.19;0.35;;;;;DOPC;MDCG;27;1;"MARTINI bead: SNd_SNa";;;;;;;0.87;;-6.94;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM420712;MM420712;CC1CN1CC#CC=NN;BOSOWYMLEGPVLY-UHFFFAOYSA-N;137.19;-0.36;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNd_P1";;;;;;;0.04;;-2.63;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM420713;MM420713;CC=Cc1cc(CN)[nH]n1;HRYNZIFICAPGGL-UHFFFAOYSA-N;137.19;0.9;;;;;DOPC;MDCG;27;1;"MARTINI bead: SNda_SP2";;;;;;;-0.24;;-4.43;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM420714;MM420714;C=CN(OC)C(C)=NN=C;ASKJJOMPUQRNJS-UHFFFAOYSA-N;141.17;1.03;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_C5";;;;;;;0.81;;-0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM420715;MM420715;CCC1NCC2(N)C(C)C12;SNYPFRRAQDXPPQ-UHFFFAOYSA-N;140.23;0.33;;;;;DOPC;MDCG;27;1;"MARTINI bead: SNd_SP2";;;;;;;-0.24;;-6.56;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM420716;MM420716;C=NN=CCC(C=O)=CN;WCDNSIXWJCXREK-UHFFFAOYSA-N;139.16;0.1;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_C5";;;;;;;0.54;;-1.09;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM420717;MM420717;C=C(C)C1(N)CC1C1CO1;KOYWPUNVPAEPGR-UHFFFAOYSA-N;139.2;0.68;;;;;DOPC;MDCG;27;1;"MARTINI bead: SNd_SNa";;;;;;;0.87;;-4.2;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM420718;MM420718;C=NNC=NN1CC1C;VWBTYOPKQJAGJC-UHFFFAOYSA-N;126.16;-0.16;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP1_P2";;;;;;;-1.06;;-3.82;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM420719;MM420719;CC=Cc1cc(CO)n[nH]1;RXWGSYGZHKEXMC-UHFFFAOYSA-N;138.17;0.94;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNd_SP1";;;;;;;0.04;;-2.63;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM420720;MM420720;C#CC=C(C)C(C=C)CN;KTMBOEIXIMYHKJ-UHFFFAOYSA-N;135.21;1.33;;;;;DOPC;MDCG;27;1;"MARTINI bead: C4_Nd";;;;;;;2.2;;-2.15;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM420721;MM420721;CC1C2C(CN)NCC12N;JFXBKTUNLQNSOI-UHFFFAOYSA-N;141.22;-1.12;;;;;DOPC;MDCG;27;1;"MARTINI bead: SP1_SNd";;;;;;;0.04;;-5.58;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM420722;MM420722;C=NN=CCC(C#N)=CN;AEJUGXJWQGFDEA-UHFFFAOYSA-N;136.16;0.43;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_N0";;;;;;;0.34;;-1.53;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM420723;MM420723;CC#CC#CCC1CC1C;ZFEWXHQXRYFHHN-UHFFFAOYSA-N;132.21;2.06;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1_SC5";;;;;;;3.68;;0.46;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM420724;MM420724;N=C(N)C1(N)CC1C1CO1;VOYNVUHCLYNGJT-UHFFFAOYSA-N;141.17;-0.96;;;;;DOPC;MDCG;27;1;"MARTINI bead: SP2_SP1";;;;;;;-1.06;;-7.51;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM420725;MM420725;C=NOC(CF)OC=NN;BDMWYHXTZNQNNI-UHFFFAOYSA-N;149.13;-0.17;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_P1";;;;;;;0.04;;-2.54;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM420726;MM420726;C#CC=C(F)C(C#N)CO;GRVGKPDEMIOHBH-UHFFFAOYSA-N;139.13;0.61;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_C5";;;;;;;0.54;;-1.09;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM420727;MM420727;CCC1NCC2(N)C(N)C12;SQBIYEFNNNUZDD-UHFFFAOYSA-N;141.22;-0.98;;;;;DOPC;MDCG;27;1;"MARTINI bead: SNd_SP3";;;;;;;-1.1;;-6.56;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM420728;MM420728;C=C1CC(O)CC1(C)C;WTQZHDREYSXAFP-UHFFFAOYSA-N;126.2;1.72;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC1_SNda";;;;;;;2.91;;0.57;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM420729;MM420729;CC#CC#CCC1CC1N;UYUZFJJCBHLFNP-UHFFFAOYSA-N;133.19;0.75;;;;;DOPC;MDCG;27;1;"MARTINI bead: C1_SP1";;;;;;;2.08;;-0.99;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM420730;MM420730;C=C(C)C1(O)CC1C1CO1;WKZIPSPFELWOMI-UHFFFAOYSA-N;140.18;0.71;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNda_SP1";;;;;;;0.04;;-2.73;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM420731;MM420731;C=CC(OC=NN)OCC;UFPXOWNTCRLSEM-UHFFFAOYSA-N;144.17;0.45;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_P2";;;;;;;0.54;;-1.09;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM420732;MM420732;C#CC=C(C)N(C=O)OC;WBUHGAQJTGNMOA-UHFFFAOYSA-N;139.15;0.54;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_C4";;;;;;;1.09;;-0.38;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM420733;MM420733;NCC1NCC2(N)C(O)C12;JINGHLWMXCAXJC-UHFFFAOYSA-N;143.19;-2.39;;;;;DOPC;MDCG;27;1;"MARTINI bead: SP1_SP3";;;;;;;-1.93;;-7.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM420734;MM420734;C=NN=CCC(C#N)=CF;OKNRXLRXBIZXMD-UHFFFAOYSA-N;139.13;1.44;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_C5";;;;;;;1.64;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM420735;MM420735;CC#CC#CCC1CC1O;NQSMLWARSVRBHQ-UHFFFAOYSA-N;134.18;0.78;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1_SP1";;;;;;;2.08;;0.48;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM420736;MM420736;C=C(C)C1(N)CC1N1CC1;MRXMRSTXNSDXNM-UHFFFAOYSA-N;138.21;0.35;;;;;DOPC;MDCG;27;1;"MARTINI bead: SNd_SP1";;;;;;;0.04;;-4.17;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM420737;MM420737;C=CC(OC=NN)ON=C;AKASDQDRDMPOQJ-UHFFFAOYSA-N;143.15;0.05;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_N0";;;;;;;0.34;;-1.53;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM420738;MM420738;C#CC(CC)C(C)=CCC;RCPCKPZZYDSAPK-UHFFFAOYSA-N;136.24;3;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1_C3";;;;;;;4.61;;0.31;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM420739;MM420739;CC#CC#CCC1CC1F;XSQYUOQXWIMTIQ-UHFFFAOYSA-N;136.17;1.76;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1_SNa";;;;;;;2.91;;0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM420740;MM420740;CCC1NCC2(O)C(C)C12;SXELQRQCTXTCHK-UHFFFAOYSA-N;141.21;0.37;;;;;DOPC;MDCG;27;1;"MARTINI bead: SNd_SP1";;;;;;;0.04;;-5.85;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM420741;MM420741;C=CC(CC=NN=C)=NO;XXMFUSGURWSGNT-UHFFFAOYSA-N;139.16;1.08;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda_N0";;;;;;;1.17;;-1.13;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM420742;MM420742;N=C(N)C1(N)CC1N1CC1;SMVAXAYKNQOBNO-UHFFFAOYSA-N;140.19;-1.29;;;;;DOPC;MDCG;27;1;"MARTINI bead: SP2_SP1";;;;;;;-1.06;;-7.26;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM420743;MM420743;C#CC(CF)C(C)=CCN;UKZXSCQHBDCZJG-UHFFFAOYSA-N;141.19;1.11;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_Na";;;;;;;0.87;;-4.13;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM420744;MM420744;CC=Cc1cc(CC)on1;QMDDBJPRTKAFJL-UHFFFAOYSA-N;137.18;2.27;;;;;DOPC;MDCG;27;0;"MARTINI bead: SN0_SC5";;;;;;;1.94;;0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM420745;MM420745;CC(C(=O)O)C(C#N)CO;LHHSKENUBFPRPC-UHFFFAOYSA-N;143.14;-0.16;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_Nda";;;;;;;-0.24;;-7.93;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM420746;MM420746;CC1C2C(CN)NCC12O;LTBQRWPPIPWBSY-UHFFFAOYSA-N;142.2;-1.09;;;;;DOPC;MDCG;27;1;"MARTINI bead: SP1_SNda";;;;;;;0.04;;-5.41;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM420747;MM420747;CC#CC#CCC1OC1C;PMLVNOUXRYYQPX-UHFFFAOYSA-N;134.18;1.19;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1_SNa";;;;;;;2.91;;0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM420748;MM420748;CC1=C(C)CC(C)(O)C1;BYYXPEBLLBYRDB-UHFFFAOYSA-N;126.2;1.87;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC3_SNda";;;;;;;2.57;;0.44;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM420749;MM420749;CC=Cc1cc(CO)on1;WRSXOHBEEYPPBJ-UHFFFAOYSA-N;139.15;1.2;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC5_SP1";;;;;;;0.81;;-0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM420750;MM420750;C#CC(CN)C(F)=CCF;YMXFJUWQPFISOG-UHFFFAOYSA-N;145.15;1.02;;;;;DOPC;MDCG;27;1;"MARTINI bead: P2_C5";;;;;;;0.54;;-3.41;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM420751;MM420751;CC1C2C(CF)NCC12O;NUGWHWOYSNHLQE-UHFFFAOYSA-N;145.18;-0.08;;;;;DOPC;MDCG;27;1;"MARTINI bead: SNda_SNda";;;;;;;0.87;;-3.65;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM420752;MM420752;CC#CC#CCC1CN1C;SEJNMRGNWCRKGQ-UHFFFAOYSA-N;133.19;0.72;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1_SP1";;;;;;;2.08;;0.49;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM420754;MM420754;NC=C(C=O)NC=CC=O;JXDCCRJQPOYZJO-UHFFFAOYSA-N;140.14;-0.71;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_Na";;;;;;;-0.24;;-3.24;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM420753;MM420753;C=C(C)C1(C)CN1C1CC1;HNVXEPQJZVCPDR-UHFFFAOYSA-N;137.23;1.8;;;;;DOPC;MDCG;27;0;"MARTINI bead: SN0_SP1";;;;;;;0.34;;-1.53;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM420755;MM420755;C#CC(CC)C(C)=COC;WXUQVXFUCSNANP-UHFFFAOYSA-N;138.21;2.2;;;;;DOPC;MDCG;27;0;"MARTINI bead: C3_C5";;;;;;;3.34;;0.48;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM420756;MM420756;NCC1NCC2(O)C(N)C12;DFWMWNFJAYQTPW-UHFFFAOYSA-N;143.19;-2.39;;;;;DOPC;MDCG;27;1;"MARTINI bead: SP1_SP3";;;;;;;-1.93;;-6.89;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM420757;MM420757;CC=Cc1cc(CF)on1;ICYGSYPHNDXCIC-UHFFFAOYSA-N;141.15;2.18;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC5_SNa";;;;;;;1.64;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM420758;MM420758;CC#CC#CCN1CC1C;JIQSREXEOKDGOV-UHFFFAOYSA-N;133.19;0.72;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1_SP1";;;;;;;2.08;;0.48;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM420759;MM420759;CC(C=O)N1CC1(C)C;ZZRZZGZDCJSLGG-UHFFFAOYSA-N;127.19;0.67;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_SP1";;;;;;;-1.06;;-3.82;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM420760;MM420760;CC1CC1(C)CCC1CC1;JVGSFVPHZGJEQY-UHFFFAOYSA-N;138.25;3.22;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC4_SC5";;;;;;;2.97;;0.45;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM420761;MM420761;C#CC(CC)C(F)=COC;JGBFUNFYFNVMQT-UHFFFAOYSA-N;142.17;2.1;;;;;DOPC;MDCG;27;0;"MARTINI bead: C3_N0";;;;;;;2.87;;0.37;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM420762;MM420762;CC=Cc1cc(OC)on1;SGYRIVKERGBJRS-UHFFFAOYSA-N;139.15;1.72;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNa_SC5";;;;;;;1.64;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM420763;MM420763;NC1C2C(CO)NCC12O;SFAGVDOYBUAQCA-UHFFFAOYSA-N;144.17;-2.36;;;;;DOPC;MDCG;27;1;"MARTINI bead: SP1_SP2";;;;;;;-1.06;;-5.98;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM420764;MM420764;CC1CC1C=CCCCN;WBKBZYUMUWYDFR-UHFFFAOYSA-N;139.24;1.94;;;;;DOPC;MDCG;27;1;"MARTINI bead: SC4_Nd";;;;;;;2.2;;-2.21;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM420765;MM420765;C=CC(=CF)N=CNC=N;AEIGILUXDCWTMC-UHFFFAOYSA-N;141.15;1.21;;;;;DOPC;MDCG;27;1;"MARTINI bead: C4_P4";;;;;;;0.15;;-3.66;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM420766;MM420766;CC1(CCC2CC2)CC1N;IEDIOPBJVCPAOL-UHFFFAOYSA-N;139.24;1.91;;;;;DOPC;MDCG;27;1;"MARTINI bead: SNd_SC5";;;;;;;1.64;;-2.22;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM420767;MM420767;C#CC(NC)C(C)=CCC;MIZIKXYSBQCWMK-UHFFFAOYSA-N;137.23;1.56;;;;;DOPC;MDCG;27;1;"MARTINI bead: C1_P2";;;;;;;1.8;;-0.24;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM420768;MM420768;CC=Cc1c[nH]c(OC)n1;RFHNPUPHOYYDAR-UHFFFAOYSA-N;138.17;1.45;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNda_SNda";;;;;;;0.87;;-2.07;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM420769;MM420769;NCC1NCC2(O)C(O)C12;RROWMYODKXJQDY-UHFFFAOYSA-N;144.17;-2.36;;;;;DOPC;MDCG;27;1;"MARTINI bead: SP1_SP2";;;;;;;-1.06;;-5.94;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM420770;MM420770;C#CC1(C#C)CC=NN1;AIDKTRDYZMTCSZ-UHFFFAOYSA-N;118.14;-0.03;;;;;DOPC;MDCG;27;0;"MARTINI bead: SN0_SP1";;;;;;;0.34;;-1.53;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM420771;MM420771;N=CNC=NC(C=O)=CN;GXQSPOMPEMNLPJ-UHFFFAOYSA-N;140.15;-0.79;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1_P3";;;;;;;-1.93;;-6.18;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM420772;MM420772;CNN=CC(F)COC;GECAYZXYHPLCCP-UHFFFAOYSA-N;134.15;0.18;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_Na";;;;;;;-0.24;;-3.24;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM420773;MM420773;CC=Cc1coc(CC)n1;RGMXIMITFKJIKR-UHFFFAOYSA-N;137.18;2.27;;;;;DOPC;MDCG;27;0;"MARTINI bead: SN0_SC5";;;;;;;1.94;;0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM420774;MM420774;C#CC(NC)C(C)=CCF;QXLUKBGYZYCXJA-UHFFFAOYSA-N;141.19;1.12;;;;;DOPC;MDCG;27;1;"MARTINI bead: P2_C4";;;;;;;1.09;;-1.63;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM420775;MM420775;OCC1NCC2(O)C(O)C12;ICHNCPODZRWRCO-UHFFFAOYSA-N;145.16;-2.33;;;;;DOPC;MDCG;27;1;"MARTINI bead: SP1_SP2";;;;;;;-1.06;;-5.72;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM420776;MM420776;NCCCC=CC1CC1O;LWRIGMYNWHSFCJ-UHFFFAOYSA-N;141.21;0.66;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_SNda";;;;;;;0.87;;-4.71;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM420777;MM420777;NC=C(C=O)N=CNC=O;QKIIWTDRWMDLPW-UHFFFAOYSA-N;141.13;-1.24;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_P4";;;;;;;-2.29;;-5.95;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM420778;MM420778;CNN(C)C(=O)C=NN;ITWUMIBUXFPAOF-UHFFFAOYSA-N;130.15;-1.48;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_P1";;;;;;;-1.06;;-3.82;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM420779;MM420779;CC=Cc1coc(CO)n1;FQXUTBNYFNUOGP-UHFFFAOYSA-N;139.15;1.2;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC5_SP1";;;;;;;0.81;;-0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM420780;MM420780;C#CC(OC)C(C)=CCN;CALYQQMYWGZICL-UHFFFAOYSA-N;139.2;0.54;;;;;DOPC;MDCG;27;1;"MARTINI bead: C5_P2";;;;;;;0.54;;-3.31;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM420781;MM420781;CNCCC=CC1CC1C;URSYDMXPZWROPT-UHFFFAOYSA-N;139.24;1.81;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_SC5";;;;;;;1.64;;-2.95;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM420782;MM420782;NCC1NCC2(F)C(N)C12;WVNRFJUEVBPBNM-UHFFFAOYSA-N;145.18;-1.42;;;;;DOPC;MDCG;27;1;"MARTINI bead: SP1_SP2";;;;;;;-1.06;;-5.86;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM420783;MM420783;CCC(C)CC(O)CC;SECKOSOTZOBWEI-UHFFFAOYSA-N;130.23;2.19;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1_Nda";;;;;;;2.91;;0.57;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM420784;MM420784;OC1CC1(O)CCC1CC1;WCRLXZJVEGWDRZ-UHFFFAOYSA-N;142.2;0.67;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP1_SC5";;;;;;;0.81;;-0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM420785;MM420785;CC=Cc1coc(CF)n1;BKLLVOQYELVLDT-UHFFFAOYSA-N;141.15;2.18;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC5_SNa";;;;;;;1.64;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM420786;MM420786;C#CC(OC)C(F)=COC;RZLNYVSOBWFEIA-UHFFFAOYSA-N;144.15;1.09;;;;;DOPC;MDCG;27;0;"MARTINI bead: N0_Na";;;;;;;1.17;;-1.18;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM420787;MM420787;NC1C2C(CO)NCC12F;UDLVGMZMXBGJSJ-UHFFFAOYSA-N;146.17;-1.38;;;;;DOPC;MDCG;27;1;"MARTINI bead: SP1_SP1";;;;;;;-0.79;;-4.39;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM420788;MM420788;CNCCC=CC1CC1N;VSMBGTNXBQVRIE-UHFFFAOYSA-N;140.23;0.5;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_SNd";;;;;;;0.87;;-5.3;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM420789;MM420789;CC1CC1(F)CCC1CC1;OITXIFSWZSGLEU-UHFFFAOYSA-N;142.22;2.92;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC5_SC5";;;;;;;2.41;;0.64;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM420790;MM420790;CCCCC(O)CCC;WOFPPJOZXUTRAU-UHFFFAOYSA-N;130.23;2.34;;;;;DOPC;MDCG;27;0;"MARTINI bead: C3_C5";;;;;;;3.34;;0.48;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM420791;MM420791;C#CC(COC)OC=NN;SLNSUYNTAJCHKB-UHFFFAOYSA-N;142.16;-0.45;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_Nda";;;;;;;0.04;;-2.73;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM420792;MM420792;C#CC(OC)C(C)=NOC;MEJNUUKCAFXFBR-UHFFFAOYSA-N;141.17;0.66;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_C5";;;;;;;0.54;;-1.09;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM420793;MM420793;COCCC=CC1CC1C;AZVZQROJSXSUHB-UHFFFAOYSA-N;140.23;2.24;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_SC5";;;;;;;1.64;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM420794;MM420794;CCC1NCC2(F)C(O)C12;FLBORRHQRZWVAX-UHFFFAOYSA-N;145.18;0.07;;;;;DOPC;MDCG;27;1;"MARTINI bead: SNd_SP1";;;;;;;0.04;;-4.3;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM420795;MM420795;CC1CC1(C)CNC1CC1;UWWRSMQONHCLFY-UHFFFAOYSA-N;139.24;1.78;;;;;DOPC;MDCG;27;1;"MARTINI bead: SC4_SP1";;;;;;;1.37;;-2.73;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM420796;MM420796;C=CC(=NC)NC=CC#N;BLZBHJDBPKFHBP-UHFFFAOYSA-N;135.17;0.83;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_N0";;;;;;;1.17;;-3.77;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM420797;MM420797;C#CC(CC)C(N)=CC=O;LORBTVNMRXEPAL-UHFFFAOYSA-N;137.18;0.69;;;;;DOPC;MDCG;27;0;"MARTINI bead: C3_P2";;;;;;;1.46;;-0.15;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM420798;MM420798;CC=Cc1coc(OC)n1;IYJKPZAIZSLRJT-UHFFFAOYSA-N;139.15;1.72;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNa_SC5";;;;;;;1.64;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM420799;MM420799;CCOCC=CC1CC1C;NCHGMOFCSRAQEX-UHFFFAOYSA-N;140.23;2.24;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_SC5";;;;;;;2.41;;0.64;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM420800;MM420800;NCC1OCC2(N)C(N)C12;CXHKUTMBDKZBFZ-UHFFFAOYSA-N;143.19;-2;;;;;DOPC;MDCG;27;1;"MARTINI bead: SP1_SP3";;;;;;;-1.93;;-6.95;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM420801;MM420801;CC1(CNC2CC2)CC1N;APVDQSLJWBPJKX-UHFFFAOYSA-N;140.23;0.48;;;;;DOPC;MDCG;27;1;"MARTINI bead: SNd_SP1";;;;;;;0.04;;-5.19;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM420802;MM420802;C=CC=CNC(C=C)=NN;MQUCJQFFYDRPMP-UHFFFAOYSA-N;137.19;0.73;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1_C4";;;;;;;1.37;;-1.36;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM420803;MM420803;C#CC(CN)C(F)=CC=C;PZQIYXSBMUCYSC-UHFFFAOYSA-N;139.17;1.23;;;;;DOPC;MDCG;27;1;"MARTINI bead: P2_C3";;;;;;;1.46;;-2.35;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM420804;MM420804;CC=Cc1n[nH]c(NC)n1;CCOHUAURPRCUHG-UHFFFAOYSA-N;138.17;0.88;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP1_SNda";;;;;;;0.04;;-2.73;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM420805;MM420805;CC1CC1C=NNCCN;BMDRFNZHAAOLQS-UHFFFAOYSA-N;141.22;0.18;;;;;DOPC;MDCG;27;1;"MARTINI bead: SC5_P4";;;;;;;-0.41;;-4.36;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM420806;MM420806;NCC1OCC2(N)C(O)C12;SENRNQQKOCHDSL-UHFFFAOYSA-N;144.17;-1.97;;;;;DOPC;MDCG;27;1;"MARTINI bead: SP1_SP2";;;;;;;-1.06;;-5.76;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM420807;MM420807;CC1CC1(N)CNC1CC1;YWPIRTFROSXGPJ-UHFFFAOYSA-N;140.23;0.48;;;;;DOPC;MDCG;27;1;"MARTINI bead: SNd_SP1";;;;;;;0.04;;-5.24;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM420808;MM420808;C=CC=CN=C(C=C)NO;OFSUFEYJHFNHOF-UHFFFAOYSA-N;138.17;1.25;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1_C4";;;;;;;1.37;;-1.12;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM420809;MM420809;C#CC(NC)C(C)=CC=C;PLQAQHLFPBVBOZ-UHFFFAOYSA-N;135.21;1.34;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_N0";;;;;;;1.17;;-2.37;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM420810;MM420810;CC=Cc1noc(CC)n1;NHFUBWFWYGRTKK-UHFFFAOYSA-N;138.17;1.67;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNa_SNa";;;;;;;0.87;;-2.22;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM420811;MM420811;C=C(C(C)C)C(C)(O)CC;QXRNFIVWTJOWIJ-UHFFFAOYSA-N;142.24;2.36;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda_C2";;;;;;;2.83;;0.57;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM420812;MM420812;CCC1OCC2(O)C(C)C12;CTICLRPOGLQSEC-UHFFFAOYSA-N;142.2;0.79;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC5_SP1";;;;;;;0.81;;-0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM420813;MM420813;NC1(CNC2CC2)CC1O;ZUJXPVGWVBCSJF-UHFFFAOYSA-N;142.2;-0.8;;;;;DOPC;MDCG;27;1;"MARTINI bead: SP2_SP1";;;;;;;-1.06;;-5.86;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM420814;MM420814;C=CC=CNC(C#N)=NC;KPNOKWHRSDMBKC-UHFFFAOYSA-N;135.17;0.83;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_C4";;;;;;;1.09;;-0.38;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM420815;MM420815;C#CC(OC)C(C)=CC=O;QGCLQWNIOWUUFJ-UHFFFAOYSA-N;138.17;0.78;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_Na";;;;;;;0.87;;-2.22;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM420816;MM420816;CC=Cc1noc(CO)n1;DQXVLRHOQZVGMM-UHFFFAOYSA-N;140.14;0.6;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNa_SP1";;;;;;;0.04;;-2.54;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM420817;MM420817;CNCCC=CC1NC1C;WLDGVPUUPLFUIF-UHFFFAOYSA-N;140.23;0.51;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_SP1";;;;;;;0.04;;-5.68;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM420818;MM420818;CC1C2C(CO)OCC12O;YNZPLVSDOSMKTG-UHFFFAOYSA-N;144.17;-0.63;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP1_SNda";;;;;;;0.04;;-2.73;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM420819;MM420819;CC1CC1(O)CNC1CC1;KQAKXYRMKJUVJQ-UHFFFAOYSA-N;141.21;0.51;;;;;DOPC;MDCG;27;1;"MARTINI bead: SNda_SP1";;;;;;;0.04;;-5.03;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM420820;MM420820;N#CC=CNC(C=O)=NO;NAVUJFBYYAYRRM-UHFFFAOYSA-N;139.11;-0.4;;;;;DOPC;MDCG;27;0;"MARTINI bead: P3_N0";;;;;;;-0.8;;-2.99;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM420821;MM420821;C#CC(OC)C(C)=CC#N;XJOBRTKHIJABAH-UHFFFAOYSA-N;135.17;1.1;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_N0";;;;;;;1.17;;-1.18;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM420822;MM420822;CC=Cc1noc(CF)n1;QWRWIQXHPJFUMI-UHFFFAOYSA-N;142.13;1.57;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNa_SNa";;;;;;;0.87;;-2.22;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM420823;MM420823;CCC1OCC2(O)C(N)C12;DIIXEFBAUGQWTA-UHFFFAOYSA-N;143.19;-0.52;;;;;DOPC;MDCG;27;1;"MARTINI bead: SC5_SP2";;;;;;;0.54;;-2.95;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM420824;MM420824;CCCNN=CC1NC1C;RYNXOEFPYAWJMT-UHFFFAOYSA-N;141.22;0.33;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nd_SP1";;;;;;;0.04;;-2.63;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM420825;MM420825;CC1CC1(F)CNC1CC1;VRDNXJUUUZHLGU-UHFFFAOYSA-N;143.21;1.49;;;;;DOPC;MDCG;27;1;"MARTINI bead: SC5_SP1";;;;;;;0.81;;-1.85;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM420826;MM420826;C=CC(N=CNC=N)=NC;ZOJHGWSFFRMPIF-UHFFFAOYSA-N;138.17;0.43;;;;;DOPC;MDCG;27;1;"MARTINI bead: C5_P3";;;;;;;-0.33;;-3.33;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM420827;MM420827;C#CC(OC)C(F)=CC=O;BJDCKGDRXSTRMB-UHFFFAOYSA-N;142.13;0.69;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_Na";;;;;;;0.87;;-2.22;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM420828;MM420828;CC=Cc1noc(NC)n1;BMZUVEOZRIIPBX-UHFFFAOYSA-N;139.16;1.14;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNda_SNa";;;;;;;0.87;;-1.99;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM420829;MM420829;OCC1OCC2(O)C(O)C12;MEJASTKAECHLMT-UHFFFAOYSA-N;146.14;-1.9;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP1_SP2";;;;;;;-1.06;;-3.82;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM420830;MM420830;CN1CC1C=CCCCN;STRYCCGCEOEPIW-UHFFFAOYSA-N;140.23;0.6;;;;;DOPC;MDCG;27;1;"MARTINI bead: SNd_Nd";;;;;;;0.87;;-4.91;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM420831;MM420831;CC1CC1(C)COC1CC1;TXRZDDZEJAFIAW-UHFFFAOYSA-N;140.23;2.21;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC4_SP1";;;;;;;1.37;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM420832;MM420832;CCC(C)C(C)C(C)O;LBJWJHMCZHKLQU-UHFFFAOYSA-N;130.23;2.05;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1_Nda";;;;;;;2.91;;0.57;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM420833;MM420833;C#CC(CC)C(C)=NN=C;OHMCAWKDUVZXBD-UHFFFAOYSA-N;136.2;1.72;;;;;DOPC;MDCG;27;0;"MARTINI bead: C3_C5";;;;;;;3.34;;0.48;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM420834;MM420834;CC=Cc1noc(OC)n1;DXTFLXVKQKCNEW-UHFFFAOYSA-N;140.14;1.11;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNa_SNa";;;;;;;0.87;;-2.22;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM420835;MM420835;CC1C2C(CN)OCC12F;LJNLZLHSEBRXEP-UHFFFAOYSA-N;145.18;0.32;;;;;DOPC;MDCG;27;1;"MARTINI bead: SP1_SC5";;;;;;;0.81;;-2.55;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM420836;MM420836;CNCCC=CC1CN1C;IGSSVSAHRIPZOP-UHFFFAOYSA-N;140.23;0.47;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_SNd";;;;;;;0.87;;-5.17;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM420837;MM420837;CC1(COC2CC2)CC1N;AAOAUOJTFMIHBZ-UHFFFAOYSA-N;141.21;0.9;;;;;DOPC;MDCG;27;1;"MARTINI bead: SNd_SP1";;;;;;;0.04;;-4.88;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM420838;MM420838;C=CC(N=CNC=N)=NN;RTEJKMLRUUSFMS-UHFFFAOYSA-N;139.16;-0.33;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_P3";;;;;;;-1.1;;-5.22;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM420839;MM420839;C#CC(CN)C(C)=NN=C;OSJFLKDQTUJAOH-UHFFFAOYSA-N;137.19;0.27;;;;;DOPC;MDCG;27;1;"MARTINI bead: C4_P2";;;;;;;1.09;;-2.4;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM420840;MM420840;C=CC1=CC(C=CC)=CC1;ARQGZMMIAQZFCN-UHFFFAOYSA-N;132.21;3.01;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC3_SC4";;;;;;;3.9;;0.47;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM420841;MM420841;CC1C2C(CO)OCC12F;UCEOSBQEJHVGKN-UHFFFAOYSA-N;146.16;0.35;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP1_SC5";;;;;;;0.81;;-0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM420842;MM420842;CCCCN=CN1CC1C;KSJHICKWYAHGIT-UHFFFAOYSA-N;140.23;1.52;;;;;DOPC;MDCG;27;1;"MARTINI bead: N0_SNd";;;;;;;1.17;;-3.36;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM420843;MM420843;CC1(COC2CC2)CC1O;KVZWNFCEGLYYKU-UHFFFAOYSA-N;142.2;0.94;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNda_SP1";;;;;;;0.04;;-2.73;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM420844;MM420844;Nc1nc(=O)n(N)cc1F;YZEJIIKKLLEIGG-UHFFFAOYSA-N;144.11;-1.32;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP2_SP1";;;;;;;-1.06;;-3.82;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM420845;MM420845;C=CC(N=CNC=O)=NN;ZXXSYANGLFVEOQ-UHFFFAOYSA-N;140.15;-0.78;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nd_P4";;;;;;;-1.19;;-4.91;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM420846;MM420846;CC=CC1=CCC(C=O)=C1;QTQHMWNXNXFXEH-UHFFFAOYSA-N;134.18;2.02;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC3_SNa";;;;;;;2.57;;0.45;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM420848;MM420848;COC1OCC2(O)C(C)C12;DCAAKCUNTMRRBQ-UHFFFAOYSA-N;144.17;-0.01;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNa_SP1";;;;;;;0.04;;-2.54;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM420847;MM420847;CC1CN1C=NCCCN;ICKZYUUZWUMRAH-UHFFFAOYSA-N;141.22;0.07;;;;;DOPC;MDCG;27;1;"MARTINI bead: SNd_P3";;;;;;;-1.1;;-6.43;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM420849;MM420849;NC1(COC2CC2)CC1O;OUBRJFNHVHIUMV-UHFFFAOYSA-N;143.19;-0.37;;;;;DOPC;MDCG;27;1;"MARTINI bead: SP2_SP1";;;;;;;-1.06;;-5.35;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM420850;MM420850;C#CC(OC)C(C)=NN=C;VSBHYZSWJVOKIX-UHFFFAOYSA-N;138.17;0.71;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_C5";;;;;;;1.64;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM420851;MM420851;C=CC(N=CNC=O)=NO;UGAOPMVKJLSQLJ-UHFFFAOYSA-N;141.13;-0.27;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda_P3";;;;;;;-1.1;;-3.97;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM420852;MM420852;CC=CC1=CCC(C#N)=C1;RAOHOICNIMTPBI-UHFFFAOYSA-N;131.18;2.34;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC3_SN0";;;;;;;2.87;;0.37;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM420853;MM420853;CC1CN1C=NCCCO;RIKIHUWPJDLKIV-UHFFFAOYSA-N;142.2;0.1;;;;;DOPC;MDCG;27;1;"MARTINI bead: SNd_P2";;;;;;;-0.24;;-5.43;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM420854;MM420854;CCN1CCC2(N)C(C)C12;GVTOFOCYFPFPKF-UHFFFAOYSA-N;140.23;0.43;;;;;DOPC;MDCG;27;1;"MARTINI bead: SNd_SP2";;;;;;;-0.24;;-5.43;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM420855;MM420855;CC1CC1(C)NCC1CC1;QEDRNSGDJDYXDQ-UHFFFAOYSA-N;139.24;1.78;;;;;DOPC;MDCG;27;1;"MARTINI bead: SNd_SC5";;;;;;;1.64;;-3.02;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM420856;MM420856;C=CC(N=CNN=C)=NO;HVOWUUOQUGXJOH-UHFFFAOYSA-N;140.15;0.19;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda_P2";;;;;;;-0.24;;-3.31;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM420857;MM420857;C#CC=C(C)C(C#C)CN;IAUZRJITYMOFOL-UHFFFAOYSA-N;133.19;0.77;;;;;DOPC;MDCG;27;1;"MARTINI bead: C3_P2";;;;;;;1.46;;-2.44;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM420858;MM420858;C#CC(OC=NN)OCC;DGNJONCSCBANDO-UHFFFAOYSA-N;142.16;-0.1;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_P2";;;;;;;0.54;;-1.09;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM420859;MM420859;CC1CN1C=NOCCN;PRYHVVQZLGAYTK-UHFFFAOYSA-N;143.19;-0.39;;;;;DOPC;MDCG;27;1;"MARTINI bead: SNd_P3";;;;;;;-1.1;;-5.29;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM420860;MM420860;CCN1CCC2(N)C(O)C12;MNRVUOZMULQGGR-UHFFFAOYSA-N;142.2;-0.85;;;;;DOPC;MDCG;27;1;"MARTINI bead: SNd_SP3";;;;;;;-1.1;;-5.45;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM420861;MM420861;CC1CC1(N)CCC1CN1;CWJQPHQEWYEXLQ-UHFFFAOYSA-N;140.23;0.48;;;;;DOPC;MDCG;27;1;"MARTINI bead: SNd_SP1";;;;;;;0.04;;-5.54;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM420862;MM420862;CC=C1CC(C)C(O)C1;LNAIJSBUHZJMIV-UHFFFAOYSA-N;126.2;1.72;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC1_SNda";;;;;;;2.91;;0.57;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM420863;MM420863;C=Cc1cc(C=CC)c[nH]1;PYCTVJCANNKMKJ-UHFFFAOYSA-N;133.19;2.69;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC5_SNd";;;;;;;1.64;;0.02;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM420864;MM420864;C#CC=C(F)C(C#C)CO;BNJZIIOXKWBMDD-UHFFFAOYSA-N;138.14;0.71;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda_C5";;;;;;;1.64;;0.05;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM420865;MM420865;COCON=CN1CC1C;BIVZBEGHINUYOH-UHFFFAOYSA-N;144.17;0.25;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_SNd";;;;;;;-0.24;;-3.16;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM420866;MM420866;CC1C2C(C=O)CCC12C;JZTQMRGQUWAAJW-UHFFFAOYSA-N;138.21;1.87;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNa_SC4";;;;;;;2.2;;0.34;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM420867;MM420867;CNc1nn(N)c(=O)o1;MPJBZQSUBREMLB-UHFFFAOYSA-N;130.11;-1.41;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP1_SP3";;;;;;;-1.93;;-4.72;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM420868;MM420868;NC1(CCC2CN2)CC1O;RULFMOAHSLJTDS-UHFFFAOYSA-N;142.2;-0.8;;;;;DOPC;MDCG;27;1;"MARTINI bead: SP2_SP1";;;;;;;-1.06;;-6.05;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM420869;MM420869;C#CC=C(C)C(C#C)NC;YUZULQNAODWCNA-UHFFFAOYSA-N;133.19;0.79;;;;;DOPC;MDCG;27;1;"MARTINI bead: P2_C4";;;;;;;1.09;;-1.55;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM420870;MM420870;CC=Cc1c[nH]c(C#N)c1;UJAMNUMOCCPUMW-UHFFFAOYSA-N;132.17;1.92;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC5_SNd";;;;;;;1.64;;0.02;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM420871;MM420871;CCOCC=NN1CC1C;SIABKTIXLKYETP-UHFFFAOYSA-N;142.2;0.71;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_SP2";;;;;;;0.54;;-1.09;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM420872;MM420872;CC1C2C(C=O)CCC12F;IJUFXOOVVFFXPQ-UHFFFAOYSA-N;142.17;1.57;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNa_SC5";;;;;;;1.64;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM420873;MM420873;C=CC(=NO)NN=CC#N;YZQBMEQHBRUVJN-UHFFFAOYSA-N;138.13;0.06;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_N0";;;;;;;0.34;;-1.53;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM420874;MM420874;CC1CC1(C)CCC1CO1;XDZURKVDFPYTJT-UHFFFAOYSA-N;140.23;2.21;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC4_SNa";;;;;;;2.2;;0.34;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM420875;MM420875;C#CC=C(C)C(C#C)OC;QZUABQPPQFHYOJ-UHFFFAOYSA-N;134.18;1.21;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_C4";;;;;;;2.2;;0.34;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM420876;MM420876;C#CC(C#CC)OC=NN;LZXCNTPIYKBSQS-UHFFFAOYSA-N;136.15;-0.07;;;;;DOPC;MDCG;27;0;"MARTINI bead: C3_P3";;;;;;;0.6;;-0.8;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM420877;MM420877;C=CCCC=CC1CC1C;JGIOXFZLZYSEQE-UHFFFAOYSA-N;136.24;3.16;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC4_C3";;;;;;;3.9;;0.47;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM420878;MM420878;CC1C2C(C#N)CCC12F;OURNLHLJORPYLQ-UHFFFAOYSA-N;139.17;1.89;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC5_SC5";;;;;;;2.41;;0.64;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM420879;MM420879;CN(C=O)C(=O)C=NN;VOLZWSRUIDKTML-UHFFFAOYSA-N;129.12;-1.45;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_P1";;;;;;;-1.06;;-3.82;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM420880;MM420880;Cc1oc(CF)nc1N;ZNANEOPQAUEQLL-UHFFFAOYSA-N;130.12;1.03;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNd_SNa";;;;;;;0.87;;-1.88;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM420881;MM420881;C=Cc1cc(C=CC)co1;UOHLOGHCZIXMCG-UHFFFAOYSA-N;134.18;2.96;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC4_SC5";;;;;;;2.97;;0.45;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM420882;MM420882;C#CC=C(F)C(C#C)OC;USRNNESEUHOVCW-UHFFFAOYSA-N;138.14;1.12;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_C5";;;;;;;1.64;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM420883;MM420883;CCC(C)(O)C(C)=C(C)C;VAMPQBZAIMMEMK-UHFFFAOYSA-N;142.24;2.5;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda_C1";;;;;;;2.91;;0.57;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM420884;MM420884;CC1C2C(C=O)NCC12O;KCDOOXMZCPRAEP-UHFFFAOYSA-N;141.17;-0.85;;;;;DOPC;MDCG;27;1;"MARTINI bead: SP1_SNda";;;;;;;0.04;;-3.91;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM420885;MM420885;CC1CC1(N)CCC1CO1;LGNQRVQUSSZOLB-UHFFFAOYSA-N;141.21;0.9;;;;;DOPC;MDCG;27;1;"MARTINI bead: SNd_SNa";;;;;;;0.87;;-4.8;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM420886;MM420886;NC1=CC(=O)N(N)CC1;JCUCYCFJMKYBBM-UHFFFAOYSA-N;127.15;-1.07;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP1_SP1";;;;;;;-0.79;;-3.13;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM420887;MM420887;CC=Cc1coc(C=O)c1;AXCTUMLEPJKRIX-UHFFFAOYSA-N;136.15;2.13;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC4_SNa";;;;;;;2.2;;0.34;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM420888;MM420888;C=CC(C=C)C(C)=CCC;KPLDYTIFSRJRGN-UHFFFAOYSA-N;136.24;3.33;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1_C2";;;;;;;4.87;;0.53;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM420889;MM420889;CC1CC1C=COCC#N;GJUXCBNPOWJXIU-UHFFFAOYSA-N;137.18;1.7;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC5_P1";;;;;;;0.81;;-0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM420890;MM420890;CC1C2C(C#N)OCC12C;PPBYOYGIKLBROC-UHFFFAOYSA-N;137.18;1.18;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNa_SC4";;;;;;;2.2;;0.34;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM420891;MM420891;NC1(CCC2CO2)CC1O;LOXITBDPWWARKM-UHFFFAOYSA-N;143.19;-0.37;;;;;DOPC;MDCG;27;1;"MARTINI bead: SP2_SNa";;;;;;;-0.24;;-5.46;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM420892;MM420892;C=CC(=CC)OC=CC=O;RVLDHWIMVGRFQC-UHFFFAOYSA-N;138.17;1.81;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1_P2";;;;;;;1.8;;0.4;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM420893;MM420893;CC=Cc1coc(C#N)c1;CHPPUCRBKKFKMV-UHFFFAOYSA-N;133.15;2.18;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC4_SN0";;;;;;;2.5;;0.44;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM420894;MM420894;C=CC(C=C)C(C)=CCN;HWZDMKSEBMSXKQ-UHFFFAOYSA-N;137.23;1.88;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_C2";;;;;;;2.83;;-0.24;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM420895;MM420895;N#CCOC=CC1CC1F;OECMCRNCDGIQIY-UHFFFAOYSA-N;141.15;1.4;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNa_P1";;;;;;;0.04;;-2.54;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM420896;MM420896;NC1(CCC2CO2)CC1F;PGZJBLVMJREHQJ-UHFFFAOYSA-N;145.18;0.6;;;;;DOPC;MDCG;27;1;"MARTINI bead: SNda_SNa";;;;;;;0.87;;-3.54;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM420897;MM420897;C=CC1OCC2(N)C(C)C12;DCBOQLGDDFRYTJ-UHFFFAOYSA-N;139.2;0.53;;;;;DOPC;MDCG;27;1;"MARTINI bead: SNa_SNd";;;;;;;0.87;;-4.04;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM420898;MM420898;C=CC(=CC)OC=CC#N;SMEXGSPGNHBUEU-UHFFFAOYSA-N;135.17;2.13;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1_P2";;;;;;;1.8;;0.4;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM420899;MM420899;C=CC(C=O)C(C)=CCC;MARGSWSHZKWIBM-UHFFFAOYSA-N;138.21;2.34;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1_Na";;;;;;;2.91;;0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM420900;MM420900;C=Cc1cc(C=NN)co1;MIGROFMFHMSJRJ-UHFFFAOYSA-N;136.15;1.22;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNd_SC5";;;;;;;1.64;;0.02;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM420901;MM420901;CC1CC1(O)CCC1CO1;HVCJSAASPFQYPS-UHFFFAOYSA-N;142.2;0.94;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNda_SNa";;;;;;;0.87;;-1.99;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM420902;MM420902;C=CCNN=CC1CC1C;IRDMNSPRJXRYTL-UHFFFAOYSA-N;138.21;1.4;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC5_P2";;;;;;;0.54;;-1.09;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM420903;MM420903;C=CC1OCC2(O)C(C)C12;QHHMRBQLEFEUMU-UHFFFAOYSA-N;140.18;0.57;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNa_SNda";;;;;;;0.87;;-1.99;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM420904;MM420904;C=CC=COC(C=C)=CF;USAKKBVOWSLMED-UHFFFAOYSA-N;140.16;2.7;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_C4";;;;;;;2.2;;0.34;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM420905;MM420905;C=CC(C=O)C(C)=CCO;KGVRDDNPGLWWFK-UHFFFAOYSA-N;140.18;0.93;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda_Na";;;;;;;0.87;;-1.99;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM420906;MM420906;CC=CCC(=NN)OC=O;DPMQMBUIFDPKEG-UHFFFAOYSA-N;142.16;0.4;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4_P1";;;;;;;1.37;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM420907;MM420907;NC1CC1(O)CCC1CO1;BFWSPDBCLNYHDT-UHFFFAOYSA-N;143.19;-0.37;;;;;DOPC;MDCG;27;1;"MARTINI bead: SP2_SNa";;;;;;;-0.24;;-5.21;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM420908;MM420908;C=CC1(C)CCC(C)(O)C1;GSTIWXBNMRZUCZ-UHFFFAOYSA-N;140.23;2.11;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNda_SC1";;;;;;;2.91;;0.57;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM420909;MM420909;CC1C2C(C=O)OCC12O;SJNOLBUHAMAUKB-UHFFFAOYSA-N;142.15;-0.42;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP1_SNda";;;;;;;0.04;;-2.73;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM420910;MM420910;C=CC(=CF)OC=CC=O;YORPRYLUCKJWHA-UHFFFAOYSA-N;142.13;1.71;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4_P2";;;;;;;1.09;;-0.38;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM420911;MM420911;C=CC(C=C)C(F)=CCC;IJLLTRSXFRIYQC-UHFFFAOYSA-N;140.2;3.24;;;;;DOPC;MDCG;27;0;"MARTINI bead: C3_C2";;;;;;;4.53;;0.32;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM420912;MM420912;N#CC1(O)CC1C(=O)O;SZMDCQBSCGJZIH-UHFFFAOYSA-N;127.1;-0.65;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_SP2";;;;;;;-1.06;;-8.8;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM420913;MM420913;C=CCOC=CC1OC1C;IERNTKVNKGPBEB-UHFFFAOYSA-N;140.18;1.49;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNa_Na";;;;;;;0.87;;-2.22;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM420914;MM420914;CC1C2C(C=O)OCC12F;CIDKNQULCRUKHN-UHFFFAOYSA-N;144.15;0.56;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP1_SC5";;;;;;;0.81;;-0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM420915;MM420915;OC1CC1(O)CCC1CO1;YXXGGPMSVZHSME-UHFFFAOYSA-N;144.17;-0.34;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP1_SNa";;;;;;;0.04;;-2.54;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM420916;MM420916;C=CC(C=C)C(F)=CCN;ADHLHSQFWVHLFX-UHFFFAOYSA-N;141.19;1.79;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1_C2";;;;;;;2;;-0.81;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM420917;MM420917;C=CC=COC(C#N)=CC;YEWFLNUPTRICEG-UHFFFAOYSA-N;135.17;2.13;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_C4";;;;;;;2.2;;0.34;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM420918;MM420918;CC=Cc1cc(C#N)[nH]n1;AGLNJOCJWUPJKL-UHFFFAOYSA-N;133.15;1.31;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNda_SNd";;;;;;;0.87;;-1.92;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM420919;MM420919;CC1(CCN2CC2)CC1N;RWSSVVXXIOBKGS-UHFFFAOYSA-N;140.23;0.43;;;;;DOPC;MDCG;27;1;"MARTINI bead: SNd_SP1";;;;;;;0.04;;-4.95;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM420920;MM420920;CC1CN1C=NOCC#N;XJEAYMBHJNOITD-UHFFFAOYSA-N;139.16;0.17;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNd_P2";;;;;;;-0.24;;-3.16;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM420921;MM420921;CC1C2C(C#N)OCC12F;UUXPXIAYHINWOM-UHFFFAOYSA-N;141.15;0.88;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNa_SC5";;;;;;;1.64;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM420922;MM420922;C=CC(C=O)C(F)=CCF;QNSXPJLSOIRGES-UHFFFAOYSA-N;146.14;1.81;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_Na";;;;;;;1.64;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM420923;MM420923;O=CC1=CC(=CN=O)NN1;IOBFNGSKVKMCCR-UHFFFAOYSA-N;139.11;-0.22;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP2_SP2";;;;;;;-1.34;;-4.31;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM420924;MM420924;CC=C(C#N)OC=CC=O;DJYGNYTWYYBNDZ-UHFFFAOYSA-N;137.14;1.14;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_Na";;;;;;;0.87;;-2.22;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM420925;MM420925;NC1CC1(N)CCN1CC1;WMXULUDYJTXYQW-UHFFFAOYSA-N;141.22;-0.88;;;;;DOPC;MDCG;27;1;"MARTINI bead: SP2_SP1";;;;;;;-1.06;;-5.89;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM420926;MM420926;C=CCCC=NN1CC1C;PXWJXKUWQCRQLJ-UHFFFAOYSA-N;138.21;1.64;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP1_N0";;;;;;;0.34;;-1.53;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM420927;MM420927;CC12CCN(C=N)C1C2N;SRSBNSQCNQIARM-UHFFFAOYSA-N;139.2;0.01;;;;;DOPC;MDCG;27;1;"MARTINI bead: SP2_SP1";;;;;;;-1.06;;-7.21;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM420928;MM420928;C=Cc1cc(C=CC)no1;GTPWQDJEHZWVFO-UHFFFAOYSA-N;135.17;2.35;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC5_SN0";;;;;;;1.94;;0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM420929;MM420929;C=CC=COC(C#N)=CF;WXNZSMOUTRGEJH-UHFFFAOYSA-N;139.13;2.04;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_C4";;;;;;;2.2;;0.34;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM420930;MM420930;N#CC(C#N)C(F)=CCO;YXPHEEHCADVBOZ-UHFFFAOYSA-N;140.12;0.5;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_Na";;;;;;;0.04;;-2.54;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM420931;MM420931;CC(CC1CC1)C(N)CO;KPGCJAXCVQOBAJ-UHFFFAOYSA-N;143.23;0.74;;;;;DOPC;MDCG;27;1;"MARTINI bead: SC5_P1";;;;;;;0.81;;-2.97;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM420932;MM420932;CC12CCN(C=N)C1C2O;JXOWCHBOTZVXRJ-UHFFFAOYSA-N;140.19;0.05;;;;;DOPC;MDCG;27;1;"MARTINI bead: SP1_SP1";;;;;;;-0.79;;-6.28;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM420933;MM420933;CC1CN1N=COCC#N;DJYFMZCIFSZESS-UHFFFAOYSA-N;139.16;0.17;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP2_P1";;;;;;;-1.06;;-3.82;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM420934;MM420934;CCC(C)N(C)CC1CC1;UTARQEZOHURCGO-UHFFFAOYSA-N;141.26;2.13;;;;;DOPC;MDCG;27;1;"MARTINI bead: C4_SC5";;;;;;;2.97;;-0.49;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM420935;MM420935;COC=C(C)C(C#N)C#N;VSFFMGBMEOBWQB-UHFFFAOYSA-N;136.15;1.2;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_P2";;;;;;;0.54;;-1.09;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM420936;MM420936;CC=Cc1cc(C=O)on1;ZAEUKERCKUQLRV-UHFFFAOYSA-N;137.14;1.52;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC5_SNa";;;;;;;1.64;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM420937;MM420937;O=CC=COC(C=O)=CF;QUGMCVLCOLXJNH-UHFFFAOYSA-N;144.1;0.73;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_Na";;;;;;;0.87;;-2.22;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM420938;MM420938;CC1CN1N=CONC=O;OFBHGUCSWOSPDC-UHFFFAOYSA-N;143.15;-0.69;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP2_P2";;;;;;;-1.34;;-4.31;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM420939;MM420939;CC12CCN(C=O)C1C2O;ZTAXMYLBXVTLBN-UHFFFAOYSA-N;141.17;-0.4;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP1_SP1";;;;;;;-0.79;;-3.13;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM420940;MM420940;CC(CF)N(C)CC1CC1;KIUKNZQRIBEFMQ-UHFFFAOYSA-N;145.22;1.69;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nda_SC5";;;;;;;1.64;;-1.18;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM420941;MM420941;C=CC(C=C)C(F)=COC;CKBYPBLYMBHWGK-UHFFFAOYSA-N;142.17;2.43;;;;;DOPC;MDCG;27;0;"MARTINI bead: N0_C2";;;;;;;3.13;;0.3;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM420942;MM420942;CC=Cc1cc(C#N)on1;ZGXLFJRMKGJRJE-UHFFFAOYSA-N;134.14;1.58;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC5_SN0";;;;;;;1.94;;0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM420943;MM420943;N#CC=COC(C=O)=CF;POUHRLVPVASRGB-UHFFFAOYSA-N;141.1;1.05;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_Na";;;;;;;0.87;;-2.22;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM420944;MM420944;C#CCCC=CC1CC1C;HASZESKLQSWKJO-UHFFFAOYSA-N;134.22;2.61;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC5_C3";;;;;;;3.34;;0.48;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM420945;MM420945;CC1C2N(C=N)CCC12N;MISCVPCROJTOHN-UHFFFAOYSA-N;139.2;0.01;;;;;DOPC;MDCG;27;1;"MARTINI bead: SP1_SNd";;;;;;;0.04;;-6.03;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM420946;MM420946;CCC(C)C(C)CC1CO1;OQORKZRTGBHBNX-UHFFFAOYSA-N;142.24;2.46;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1_SNa";;;;;;;2.91;;0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM420947;MM420947;C=CC(C=C)C(C)=NNC;YSXKDFSPUQDWAP-UHFFFAOYSA-N;138.21;1.57;;;;;DOPC;MDCG;27;0;"MARTINI bead: P3_C1";;;;;;;0.94;;0.03;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM420948;MM420948;C#CCCC=CC1CC1N;LVKGZVNWHAPIJR-UHFFFAOYSA-N;135.21;1.3;;;;;DOPC;MDCG;27;1;"MARTINI bead: SNd_C3";;;;;;;2.57;;-1.32;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM420949;MM420949;C=Cc1nc(C=CC)co1;VAYOGLIJWYSZBM-UHFFFAOYSA-N;135.17;2.35;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC5_SN0";;;;;;;1.94;;0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM420950;MM420950;N#CC(=CF)OC=CC=O;LUIJRSGFNKTFMU-UHFFFAOYSA-N;141.1;1.05;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_Na";;;;;;;0.87;;-2.22;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM420951;MM420951;CC1C2N(C=O)CCC12N;MAJWIIRIXUSKAH-UHFFFAOYSA-N;140.19;-0.44;;;;;DOPC;MDCG;27;1;"MARTINI bead: SP1_SNd";;;;;;;0.04;;-4.48;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM420952;MM420952;CCC(O)C(C)CC1CO1;ZXCWYZPFSZGCIE-UHFFFAOYSA-N;144.21;1.18;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_SNa";;;;;;;1.64;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM420953;MM420953;CCC(C)NN=C(C)C#N;IBRRXVUALBENLG-UHFFFAOYSA-N;139.2;1.27;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1_P2";;;;;;;1.8;;0.4;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM420954;MM420954;C#CCCC=CC1CC1F;IWVNBXUCQRYIQI-UHFFFAOYSA-N;138.19;2.31;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNa_C3";;;;;;;2.57;;0.45;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM420955;MM420955;N#CC=COC(C#N)=CF;GUACIUZXPSNUBV-UHFFFAOYSA-N;138.1;1.37;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_N0";;;;;;;1.17;;-1.18;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM420956;MM420956;CC=Cc1coc(C=O)n1;VPMYLRCDSMTDHC-UHFFFAOYSA-N;137.14;1.52;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC5_SP1";;;;;;;0.81;;-0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM420957;MM420957;N=CN1CCC2(N)C(N)C12;HIAWIQNZFYFXAT-UHFFFAOYSA-N;140.19;-1.29;;;;;DOPC;MDCG;27;1;"MARTINI bead: SP1_SP2";;;;;;;-1.06;;-6.87;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM420958;MM420958;C=CC(C)C(C)CC1CC1;XZGOBNNGCXIAKX-UHFFFAOYSA-N;138.25;3.24;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC5_C1";;;;;;;3.68;;0.46;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM420959;MM420959;CCC1(C)C(C)C(O)C1C;WCEXUKDRARAHER-UHFFFAOYSA-N;142.24;2.05;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC1_SNda";;;;;;;2.91;;0.57;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM420961;MM420961;C=CC(=CC)OC=NN=C;ZRMTWEACYZIPNJ-UHFFFAOYSA-N;138.17;1.74;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_N0";;;;;;;1.94;;0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM420960;MM420960;C#CCOC=CC1CC1N;XCKBHDVAFUIKPQ-UHFFFAOYSA-N;137.18;0.5;;;;;DOPC;MDCG;27;1;"MARTINI bead: SP1_Na";;;;;;;0.04;;-5.13;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM420962;MM420962;NC1C2N(C=O)CCC12N;MDGMKTCLPUUWKN-UHFFFAOYSA-N;141.17;-1.74;;;;;DOPC;MDCG;27;1;"MARTINI bead: SP1_SP2";;;;;;;-1.06;;-5.02;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM420963;MM420963;CC=Cc1coc(C#N)n1;UHPNNBMNYBZTCK-UHFFFAOYSA-N;134.14;1.58;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC5_SN0";;;;;;;1.94;;0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM420964;MM420964;C=CC(C)N(C)CC1CC1;XIVHEFVUYGAJOO-UHFFFAOYSA-N;139.24;1.9;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_SC5";;;;;;;1.64;;-2.31;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM420965;MM420965;C=C(CC)C1CC1(O)CC;DZHIUHVCJIIDQV-UHFFFAOYSA-N;140.23;2.11;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1_SNda";;;;;;;2.91;;0.57;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM420966;MM420966;C#CCON=CC1CC1N;HEGPODFYSZYMCK-UHFFFAOYSA-N;138.17;-0.03;;;;;DOPC;MDCG;27;1;"MARTINI bead: SP1_Na";;;;;;;0.04;;-4.79;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM420967;MM420967;C=CC(=CF)OC=NN=C;NPMUYBURVHJFNW-UHFFFAOYSA-N;142.13;1.64;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_N0";;;;;;;1.17;;-1.18;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM420968;MM420968;N=CN1CCC2(F)C(N)C12;KOCZPJPIDAUUKF-UHFFFAOYSA-N;143.17;-0.28;;;;;DOPC;MDCG;27;1;"MARTINI bead: SP1_SP1";;;;;;;-0.79;;-5.76;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM420969;MM420969;C=Cc1nc(C=CC)no1;IFTROLVNOHPOSV-UHFFFAOYSA-N;136.15;1.75;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNa_SNa";;;;;;;0.87;;-2.22;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM420970;MM420970;C=CC(C)N(C)CC1CO1;NQPXPRRWCNVJTG-UHFFFAOYSA-N;141.21;0.89;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_SP1";;;;;;;0.04;;-3.75;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM420971;MM420971;C=NN=COC(C#N)=CC;PIPCJIMOXJZJGC-UHFFFAOYSA-N;137.14;1.07;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_N0";;;;;;;1.17;;-1.18;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM420972;MM420972;C=CC1(O)CCC(CC)C1;GHOXTQSVANRYOA-UHFFFAOYSA-N;140.23;2.11;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC1_SC5";;;;;;;3.68;;0.46;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM420973;MM420973;CN=C(N)C(=O)CC(C)F;NTCYAROFAANKSF-UHFFFAOYSA-N;146.17;0.29;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_Na";;;;;;;-0.24;;-3.24;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM420974;MM420974;C=NN1CCC2(N)C(C)C12;RNGSUJXAEPMSCK-UHFFFAOYSA-N;139.2;0.02;;;;;DOPC;MDCG;27;1;"MARTINI bead: SP1_SNd";;;;;;;0.04;;-4.33;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM420975;MM420975;CC=Cc1noc(C=O)n1;DCKQYQGXBAFIDJ-UHFFFAOYSA-N;138.13;0.92;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNa_SP1";;;;;;;0.04;;-2.54;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM420976;MM420976;C=C(CF)C(C)NC1CC1;ASINQHXXBGGDNP-UHFFFAOYSA-N;143.21;1.65;;;;;DOPC;MDCG;27;1;"MARTINI bead: SP1_C3";;;;;;;1.74;;-1.23;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM420977;MM420977;C#CCON=CC1CC1F;ZYGGHLKKYMCISM-UHFFFAOYSA-N;141.15;0.98;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNa_Na";;;;;;;0.87;;-2.22;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM420978;MM420978;C=CN(C=N)C(C)=CCC;LSJATPVVIQMFFR-UHFFFAOYSA-N;138.21;2.35;;;;;DOPC;MDCG;27;1;"MARTINI bead: C1_P2";;;;;;;1.8;;-2.16;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM420979;MM420979;C=NN=COC(C=O)=CF;ZUBQDTDEIZSNKG-UHFFFAOYSA-N;144.11;0.66;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_Na";;;;;;;0.87;;-2.22;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM420980;MM420980;C=NN1CCC2(N)C(N)C12;NBOLVWWAPZKALW-UHFFFAOYSA-N;140.19;-1.29;;;;;DOPC;MDCG;27;1;"MARTINI bead: SP1_SP2";;;;;;;-1.06;;-4.87;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM420981;MM420981;CC=Cc1noc(C#N)n1;RPFPXMLBAGTQBR-UHFFFAOYSA-N;135.13;0.97;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNa_SP1";;;;;;;0.04;;-2.54;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM420982;MM420982;CN(CC1CC1)C(=N)NN;TWONQMDVWVGZHN-UHFFFAOYSA-N;142.21;-0.27;;;;;DOPC;MDCG;27;1;"MARTINI bead: SC5_P3";;;;;;;-0.33;;-6.19;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM420983;MM420983;C=CN(C=N)C(C)=CCN;WAMQUSWCSCXAIB-UHFFFAOYSA-N;139.2;0.9;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_P2";;;;;;;-0.24;;-6.32;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM420984;MM420984;C=NN=COC(C#N)=CF;NMYOMCJKRABNOJ-UHFFFAOYSA-N;141.11;0.98;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_N0";;;;;;;1.17;;-1.18;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM420985;MM420985;C#CCOC=CC1OC1C;BHCFJGZCVFPQEU-UHFFFAOYSA-N;138.17;0.94;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNa_Na";;;;;;;0.87;;-2.22;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM420986;MM420986;CC1C2N(C=O)NCC12C;SURSYQGRYNGYMP-UHFFFAOYSA-N;140.19;-0.01;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP2_SC4";;;;;;;1.09;;-0.38;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM420987;MM420987;C#CC1=CC(C=CC)=CC1;WYRYIXRYLWISBZ-UHFFFAOYSA-N;130.19;2.45;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC3_SC5";;;;;;;3.34;;0.48;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM420988;MM420988;C=CC(=C)C(C)NC1CC1;RSERRFJCUWGJOU-UHFFFAOYSA-N;137.23;1.87;;;;;DOPC;MDCG;27;1;"MARTINI bead: SP1_C1";;;;;;;2.08;;-0.6;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM420989;MM420989;C=CC=COC(C=C)=NO;HWXQFAJLCXVXHB-UHFFFAOYSA-N;139.15;1.68;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda_C4";;;;;;;2.2;;0.49;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM420990;MM420990;C=CN(C=O)C(C)=CCC;TYMDZFWNLVBZBN-UHFFFAOYSA-N;139.2;1.9;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1_P2";;;;;;;1.8;;0.4;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM420991;MM420991;C#CCCN=CN1CC1C;QUMRTTMKYWURTE-UHFFFAOYSA-N;136.2;0.74;;;;;DOPC;MDCG;27;1;"MARTINI bead: SP1_C5";;;;;;;0.81;;-2.54;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM420992;MM420992;CC=COC(C=CN)=NN;UQDLVSYZJCCKEE-UHFFFAOYSA-N;141.17;0.28;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4_P2";;;;;;;1.09;;-0.38;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM420993;MM420993;Cn1nc(F)c(=NN)o1;KJBQIDOTTCYFQW-UHFFFAOYSA-N;132.1;-1.07;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP2_SP2";;;;;;;-1.34;;-4.31;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM420994;MM420994;CN(CC1CC1)C(=N)C=O;WCAMCPIAZFEESD-UHFFFAOYSA-N;140.19;0.5;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC5_P3";;;;;;;-0.33;;-2.01;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM420995;MM420995;CC(=CCF)N(C=N)C=N;OUZBKKKOHFWZEP-UHFFFAOYSA-N;143.17;1.38;;;;;DOPC;MDCG;27;1;"MARTINI bead: C5_P2";;;;;;;0.54;;-2.24;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM420996;MM420996;C#CCON=CN1CC1C;DDIGRVKJVZORLL-UHFFFAOYSA-N;138.17;0.28;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNd_Na";;;;;;;0.87;;-1.88;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM420997;MM420997;CC12CON(C=O)C1C2O;YHAIDHXBAGHPEW-UHFFFAOYSA-N;143.14;-0.86;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP2_SP2";;;;;;;-1.34;;-4.31;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM420998;MM420998;CCC12CC(=O)CN1C2;ZQHLTXKMGKYKBT-UHFFFAOYSA-N;125.17;0.42;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNd_SP2";;;;;;;-0.24;;-3.16;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM420999;MM420999;C#Cc1cc(C=CC)c[nH]1;MPCJHOUBFHOHIM-UHFFFAOYSA-N;131.18;2.03;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC5_SNd";;;;;;;1.64;;0.02;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM421000;MM421000;CN(NC1CC1)C(=O)C#N;JNNMKENDLCJSIB-UHFFFAOYSA-N;139.16;-0.36;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_SC5";;;;;;;0.54;;-1.09;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM421001;MM421001;CCC=C(C)N(C=N)C=O;ZGNIFWGPPHWFIP-UHFFFAOYSA-N;140.19;1.37;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1_P4";;;;;;;0.85;;-0.64;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM421002;MM421002;CC=CCC=CC1CC1C;UZIGBBKTYZTXGM-UHFFFAOYSA-N;136.24;3.16;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1_SC5";;;;;;;3.68;;0.46;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM421003;MM421003;C=CC(=NO)OC=NN=C;VOPPHGGFOHSVBS-UHFFFAOYSA-N;141.13;0.62;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda_N0";;;;;;;1.17;;-1.13;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM421004;MM421004;C#CC1CCC2(C)C(N)C12;JJLBUNDWJIISLF-UHFFFAOYSA-N;135.21;0.99;;;;;DOPC;MDCG;27;1;"MARTINI bead: SNd_SC4";;;;;;;2.2;;-1.74;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM421005;MM421005;NC=CC(=NN)OC=CF;BVTPVUMYOVJKJG-UHFFFAOYSA-N;145.14;0.19;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_C5";;;;;;;0.54;;-1.09;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM421006;MM421006;CN(OC1CC1)C(=O)C#N;DVWJAOSOOHNNLY-UHFFFAOYSA-N;140.14;0.06;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_SC5";;;;;;;0.81;;-0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM421007;MM421007;CC(=CCN)N(C=N)C=O;XYCVEKSPSCQRCC-UHFFFAOYSA-N;141.17;-0.09;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_P4";;;;;;;-1.19;;-6.65;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM421008;MM421008;CC=CCC=CC1CC1N;RRJJAJOOOMRRNJ-UHFFFAOYSA-N;137.23;1.86;;;;;DOPC;MDCG;27;1;"MARTINI bead: C1_SNd";;;;;;;2.91;;-0.38;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM421009;MM421009;O=Cn1ncc(F)c1O;ZYGVCSVVRQARKQ-UHFFFAOYSA-N;130.08;-0.23;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNa_SP1";;;;;;;0.04;;-7.31;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM421010;MM421010;C#Cc1cc(C=CC)co1;ZMLWXQJCZPSUFI-UHFFFAOYSA-N;132.16;2.29;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC4_SN0";;;;;;;2.5;;0.44;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM421011;MM421011;C#CC1OCC2(N)C(C)C12;KBCRXVMMNUOHKM-UHFFFAOYSA-N;137.18;-0.02;;;;;DOPC;MDCG;27;1;"MARTINI bead: SNa_SNd";;;;;;;0.87;;-4.02;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM421012;MM421012;C=CC(=C)C(C)CC1CO1;CTJITADNEVBLTB-UHFFFAOYSA-N;138.21;2.15;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1_SNa";;;;;;;2.91;;0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM421013;MM421013;CC1(C#N)CN=C(C#N)N1;ALEDNZCFDXKKOW-UHFFFAOYSA-N;134.14;-0.21;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP1_SP1";;;;;;;-0.79;;-3.13;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM421014;MM421014;C=NNC=NN1CC1(C)C;QOVPLQOFFQYKPQ-UHFFFAOYSA-N;140.19;0.23;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP1_P2";;;;;;;-1.06;;-3.82;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM421015;MM421015;CC=C1CCC(O)C1C;KWPFJRWXNBWTKE-UHFFFAOYSA-N;126.2;1.72;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC1_SNda";;;;;;;2.91;;0.57;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM421016;MM421016;C#Cc1cc(C=NN)co1;YTDFCECOFOTLTD-UHFFFAOYSA-N;134.14;0.55;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNd_SN0";;;;;;;1.17;;-1.04;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM421017;MM421017;C#CC1OCC2(O)C(C)C12;SWTIMBMFQRKRKG-UHFFFAOYSA-N;138.17;0.02;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNa_SNda";;;;;;;0.87;;-1.99;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM421018;MM421018;C#CC(=O)N(O)CC1CC1;WMRCBDIOKUDJIF-UHFFFAOYSA-N;139.15;0.25;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_SC5";;;;;;;0.81;;-0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM421019;MM421019;CCC=C(C)N(C=O)C=O;IREBHBHFUNEEAK-UHFFFAOYSA-N;141.17;0.92;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1_P4";;;;;;;0.85;;-0.64;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM421020;MM421020;CC1OC1C=CN=CNN;MTIMVURQSLBIPW-UHFFFAOYSA-N;141.17;-0.22;;;;;DOPC;MDCG;27;1;"MARTINI bead: SNa_P3";;;;;;;-1.1;;-5.94;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM421021;MM421021;C=CC(=NO)ON=CC#N;VJBRINUKHBBTDJ-UHFFFAOYSA-N;139.11;0.49;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_N0";;;;;;;0.34;;-1.53;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM421022;MM421022;C=COC(C=COC)=NN;MEKCZRWDCUOXPG-UHFFFAOYSA-N;142.16;0.58;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_C5";;;;;;;0.81;;-0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM421023;MM421023;C#CC1OCC2(F)C(C)C12;ALIPPLYGAYXEFA-UHFFFAOYSA-N;140.16;0.99;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNa_SC5";;;;;;;1.64;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM421024;MM421024;C#CC(=C)C(N)CC1CO1;WJBXQDGFWMSRIR-UHFFFAOYSA-N;137.18;0.29;;;;;DOPC;MDCG;27;1;"MARTINI bead: SNa_Nd";;;;;;;0.87;;-3.87;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM421025;MM421025;CC(=CCN)N(C=O)C=O;MIPZXVVIEZLTMS-UHFFFAOYSA-N;142.16;-0.54;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_P4";;;;;;;-1.19;;-6.65;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM421026;MM421026;CC=CCC=CC1CN1C;WVLBTZIIVLPYIR-UHFFFAOYSA-N;137.23;1.82;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1_SNd";;;;;;;2.91;;0.64;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM421027;MM421027;CC(=CNCC#N)C(=O)O;ZZRAKDCENJGXRX-UHFFFAOYSA-N;140.14;0.09;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda_P3";;;;;;;-1.1;;-8.29;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM421028;MM421028;C#Cc1cc(C=NN)n[nH]1;JDDWQYDTGHLIGM-UHFFFAOYSA-N;134.14;-0.32;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP1_SNd";;;;;;;0.04;;-2.63;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM421029;MM421029;C#CC1OCC2(F)C(N)C12;ITSHIGDDFWUPLY-UHFFFAOYSA-N;141.15;-0.32;;;;;DOPC;MDCG;27;1;"MARTINI bead: SNa_SP1";;;;;;;0.04;;-3.68;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM421030;MM421030;C=C(CC1CC1)C(N)CF;YEVICLDIOUNMBZ-UHFFFAOYSA-N;143.21;1.64;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1_SC5";;;;;;;0.81;;-1.73;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM421031;MM421031;COC=C(C)N(C=N)C=O;RIXMOVOKCUMLMF-UHFFFAOYSA-N;142.16;0.56;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_P4";;;;;;;-0.41;;-2.78;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM421032;MM421032;CC=CCN=CN1CC1C;KXXJFZLZILXLQY-UHFFFAOYSA-N;138.21;1.29;;;;;DOPC;MDCG;27;1;"MARTINI bead: N0_SNd";;;;;;;1.17;;-2.87;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM421033;MM421033;CC=C1CCC2(C)C(N)C12;KGXKBVONYVRZGK-UHFFFAOYSA-N;137.23;1.69;;;;;DOPC;MDCG;27;1;"MARTINI bead: SC1_SNd";;;;;;;2.91;;-0.12;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM421034;MM421034;C#CC=CCC(C=C)=CC;YFKZIHOBQDPQTG-UHFFFAOYSA-N;132.21;2.7;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1_N0";;;;;;;3.21;;0.46;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM421035;MM421035;C#Cc1cc(C=CC)no1;UFBQRVICCJVOOU-UHFFFAOYSA-N;133.15;1.69;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC5_SN0";;;;;;;1.94;;0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM421036;MM421036;C=CC(C=C)CC(O)CC;HKNYSAYGDDQNFT-UHFFFAOYSA-N;140.23;2.14;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda_C1";;;;;;;2.91;;0.57;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM421037;MM421037;CCN(C)C(=O)CC1CC1;MHWUNPJBXUMWOJ-UHFFFAOYSA-N;141.21;1.26;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_SC5";;;;;;;0.81;;-0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM421038;MM421038;CC=COC=NN1CC1C;NBRBEFMQKAJKMD-UHFFFAOYSA-N;140.19;1.18;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_SP2";;;;;;;0.54;;-1.09;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM421039;MM421039;CC=C1CCC2(N)C(O)C12;LJKYLDAAMHKTFY-UHFFFAOYSA-N;139.2;0.41;;;;;DOPC;MDCG;27;1;"MARTINI bead: SC1_SP1";;;;;;;2.08;;-0.61;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM421040;MM421040;C#CC=CCC(C=O)=CC;YIURZEIAYFXXSR-UHFFFAOYSA-N;134.18;1.71;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_C4";;;;;;;2.2;;0.34;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM421041;MM421041;C#Cc1nc(C=CC)co1;NTBHSAZPWJWIQK-UHFFFAOYSA-N;133.15;1.69;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC5_SN0";;;;;;;1.94;;0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM421042;MM421042;C=C(CC1CN1)C(N)CF;PUBREOKHJBTOHI-UHFFFAOYSA-N;144.19;0.2;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1_SP1";;;;;;;-0.79;;-4.43;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM421043;MM421043;CON=C(C)N(C=N)C=O;KVNQSCJNMGRJAJ-UHFFFAOYSA-N;143.15;0.03;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_P4";;;;;;;-1.19;;-4.76;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM421044;MM421044;Cc1nc(=NN)n(N)o1;QXCXEOCQTIWXDB-UHFFFAOYSA-N;129.12;-1.73;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP1_SP3";;;;;;;-1.93;;-4.72;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM421045;MM421045;CCC=CC=CC1CC1C;LBCRNFWENOTMJL-UHFFFAOYSA-N;136.24;3.16;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1_SC5";;;;;;;3.68;;0.46;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM421046;MM421046;C#Cc1nc(C=CC)no1;QNMWAODAZKDQRM-UHFFFAOYSA-N;134.14;1.08;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNa_SP1";;;;;;;0.04;;-2.54;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM421047;MM421047;C#CC=CCC(C#N)=CC;JCFOYENTUNMMJV-UHFFFAOYSA-N;131.18;2.04;;;;;DOPC;MDCG;27;0;"MARTINI bead: N0_C4";;;;;;;2.5;;0.44;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM421048;MM421048;CCN(N)C(=N)CC1CO1;ZEXUOKWXOLDFQK-UHFFFAOYSA-N;143.19;-0.05;;;;;DOPC;MDCG;27;1;"MARTINI bead: P2_SNa";;;;;;;-0.24;;-5.99;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM421049;MM421049;C=CN(N=C)C(C)=NCC;YNTPQQXJCAOAKM-UHFFFAOYSA-N;139.2;1.49;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_P1";;;;;;;0.81;;-0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM421050;MM421050;CC12CN=C(NN)C1C2O;XQHOLWDAOYNKDN-UHFFFAOYSA-N;141.17;-1.14;;;;;DOPC;MDCG;27;1;"MARTINI bead: SNda_SNd";;;;;;;0.87;;-3.58;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM421051;MM421051;CCC=CC=CC1CC1N;WLACJAPHHNCMBA-UHFFFAOYSA-N;137.23;1.86;;;;;DOPC;MDCG;27;1;"MARTINI bead: C1_SNd";;;;;;;2.91;;-0.38;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM421052;MM421052;CC#CC1=CCC(CC)=C1;WIADVISLQNPVHF-UHFFFAOYSA-N;132.21;2.68;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC3_SC4";;;;;;;3.9;;0.47;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM421053;MM421053;C#CC=CCC(C=O)=CN;HXJNLWUSNRGTSQ-UHFFFAOYSA-N;135.17;0.61;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_C4";;;;;;;1.09;;-0.38;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM421054;MM421054;CCN(C)C(=O)NN1CC1;UEIGZBKVAOWYBG-UHFFFAOYSA-N;143.19;-0.12;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_SP3";;;;;;;-1.93;;-4.72;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM421055;MM421055;C=NN(C=O)C(C)=NCC;RHTVZLPXHCPBLH-UHFFFAOYSA-N;141.17;0.5;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_P2";;;;;;;0.54;;-1.09;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM421056;MM421056;CN=C1NCC2(N)C(C)C12;PFJHKTZVCKADHW-UHFFFAOYSA-N;139.2;-0.42;;;;;DOPC;MDCG;27;1;"MARTINI bead: SNd_SP2";;;;;;;-0.24;;-6.55;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM421057;MM421057;CCC=CC=CC1CC1F;NDAQBQCQZONZQX-UHFFFAOYSA-N;140.2;2.87;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1_SNa";;;;;;;2.91;;0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM421058;MM421058;CC#CC1=CCC(CN)=C1;JKPVWUMZAQTUCO-UHFFFAOYSA-N;133.19;1.22;;;;;DOPC;MDCG;27;1;"MARTINI bead: SC4_SNd";;;;;;;2.2;;-1.65;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM421059;MM421059;C#CC=CCC(C=O)=CF;WEUZVDABXMKEJN-UHFFFAOYSA-N;138.14;1.62;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_C4";;;;;;;2.2;;0.34;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM421060;MM421060;C=C(CC1CC1)N(C)C=N;RPDQGVLAGVVKTP-UHFFFAOYSA-N;138.21;1.84;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1_SC5";;;;;;;0.81;;-4.41;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM421061;MM421061;CCC(=NNC(C)C)OC;LDKBOOSGLHSKQB-UHFFFAOYSA-N;144.22;1.35;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_Nd";;;;;;;0.87;;-1.88;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM421062;MM421062;COC=NN=CC1CC1C;GCQOFCVKMJIMFL-UHFFFAOYSA-N;140.19;1.3;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_SC5";;;;;;;0.81;;-0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM421063;MM421063;CN=C1NCC2(N)C(N)C12;RKKWADALDBUOMZ-UHFFFAOYSA-N;140.19;-1.73;;;;;DOPC;MDCG;27;1;"MARTINI bead: SNd_SP3";;;;;;;-1.1;;-6.94;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM421064;MM421064;CC#CC1=CCC(CO)=C1;NVDYHHUIETWHJJ-UHFFFAOYSA-N;134.18;1.26;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC4_SNda";;;;;;;2.2;;0.49;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM421065;MM421065;C=C(CF)C(=C)CC1CC1;PSZUOMXSWBUYRJ-UHFFFAOYSA-N;140.2;2.87;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4_SC5";;;;;;;2.97;;0.45;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM421066;MM421066;C#CC=CCC(C#N)=CF;BMUFJJZKNVZDKJ-UHFFFAOYSA-N;135.14;1.94;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_C4";;;;;;;2.2;;0.34;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM421067;MM421067;C=CC(C)(O)C1CC1CC;CBBOXTZZMPUOMI-UHFFFAOYSA-N;140.23;1.97;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC3_Nda";;;;;;;2.57;;0.44;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM421068;MM421068;CCC=NN=CC1NC1C;XFOXAXFQXKUKHQ-UHFFFAOYSA-N;139.2;0.81;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4_SP1";;;;;;;1.37;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM421069;MM421069;CC=C1OCC2(C)C(C)C12;JZZGAXHAOHOYQD-UHFFFAOYSA-N;138.21;2.19;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC5_SN0";;;;;;;1.94;;0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM421070;MM421070;C#CC=CCC(C=C)=NN;XYFHZFDTXSTKHJ-UHFFFAOYSA-N;134.18;1.07;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nd_C4";;;;;;;2.2;;0.32;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM421071;MM421071;CC#CC1=CCC(CF)=C1;FBJGZJDLOJTOOJ-UHFFFAOYSA-N;136.17;2.24;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC4_SC5";;;;;;;2.97;;0.45;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM421072;MM421072;C=C(CC1CC1)C(=O)CO;LRRZOJANCGLGCW-UHFFFAOYSA-N;140.18;0.9;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_SC5";;;;;;;0.81;;-0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM421073;MM421073;C=NN(C=O)C(C)=NOC;WEMCCNCEAVNUQH-UHFFFAOYSA-N;143.15;0.04;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_P2";;;;;;;-0.24;;-3.24;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM421074;MM421074;CON=CC=CC1OC1C;LKDSBMGWFSRQLT-UHFFFAOYSA-N;141.17;0.96;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_SNa";;;;;;;0.87;;-2.22;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM421075;MM421075;CC1C2C(=CF)OCC12C;SMTWHMIPYYRAQL-UHFFFAOYSA-N;142.17;2.1;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNa_SC4";;;;;;;2.2;;0.34;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM421076;MM421076;C#CC=CNC(C=O)=NC;FNSSQGCCVDETAB-UHFFFAOYSA-N;136.15;-0.05;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_N0";;;;;;;0.34;;-1.53;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM421077;MM421077;C=C(CN)C(=C)CC1CN1;WMVQKLFEYQRHBB-UHFFFAOYSA-N;138.21;0.42;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_SP1";;;;;;;0.04;;-4.84;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM421078;MM421078;CC#CC1=CCC(OC)=C1;FZRDZRVWZRNYLP-UHFFFAOYSA-N;134.18;1.87;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC5_SC4";;;;;;;2.97;;0.45;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM421079;MM421079;C=CC(C=C)C(C)=CC=O;XNDUGLCAUJIPKN-UHFFFAOYSA-N;136.19;2.12;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_C2";;;;;;;2.83;;0.35;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM421080;MM421080;CC=C1OCC2(N)C(C)C12;NLYPATJKYBBNSO-UHFFFAOYSA-N;139.2;0.88;;;;;DOPC;MDCG;27;1;"MARTINI bead: SC5_SP1";;;;;;;0.81;;-2.58;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM421081;MM421081;CCC=NN=CC1CN1C;SYDJBRMUHBOJBN-UHFFFAOYSA-N;139.2;0.77;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4_SP1";;;;;;;1.37;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM421082;MM421082;C=C(CO)C(=C)CC1CO1;BQCLAOKLZZXBHH-UHFFFAOYSA-N;140.18;0.88;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda_SNa";;;;;;;0.87;;-1.99;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM421083;MM421083;C#CC=COC(C=C)=CC;YSDIIZINXCMFPZ-UHFFFAOYSA-N;134.18;2.24;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1_Na";;;;;;;2.91;;0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM421084;MM421084;CC#Cc1c[nH]c(CC)c1;YLWOHGOWVHDOID-UHFFFAOYSA-N;133.19;1.95;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC5_SC5";;;;;;;2.41;;0.64;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM421085;MM421085;C=CC=C(C)C(C=C)C=O;CCAFXPVBCUSSRM-UHFFFAOYSA-N;136.19;2.12;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1_Na";;;;;;;2.91;;0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM421086;MM421086;CN1CC2(C)NC2C1=O;FGHAWBUUGFDLDJ-UHFFFAOYSA-N;126.16;-0.81;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP2_SP1";;;;;;;-1.06;;-3.82;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM421087;MM421087;CCC=NN=CN1CC1C;CIFFBZPLKXOZNI-UHFFFAOYSA-N;139.2;1.11;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4_SP1";;;;;;;1.37;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM421088;MM421088;CC#Cc1c[nH]c(CN)c1;ZNSRJSMYIIIBMA-UHFFFAOYSA-N;134.18;0.84;;;;;DOPC;MDCG;27;1;"MARTINI bead: SC5_SP1";;;;;;;0.81;;-1.83;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM421089;MM421089;CCn1nnc(N)c1C;YILAJIOQBHIIQH-UHFFFAOYSA-N;126.16;0.19;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNa_SP2";;;;;;;-0.24;;-3.24;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM421090;MM421090;C=C(CF)C(=O)CC1CO1;DFQXBPXPEDSJNN-UHFFFAOYSA-N;144.15;0.87;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_SNa";;;;;;;0.87;;-2.22;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM421091;MM421091;C=CC(C=O)C(C)=CC#N;YJIONINIEXVUDT-UHFFFAOYSA-N;135.17;1.46;;;;;DOPC;MDCG;27;0;"MARTINI bead: N0_Na";;;;;;;1.17;;-1.18;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM421092;MM421092;COC=NN=CN1CC1C;VRRHLGXAFWBYBK-UHFFFAOYSA-N;141.17;0.31;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_SNd";;;;;;;0.04;;-2.63;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM421093;MM421093;CC1C2C(=NO)OCC12C;RJPXJAYVNHOVLU-UHFFFAOYSA-N;141.17;1.08;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP1_SC4";;;;;;;1.37;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM421094;MM421094;NC(=O)C=CC#CC(=O)O;YZVBWDNZLFBHJL-UHFFFAOYSA-N;139.11;-0.88;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda_P1";;;;;;;0.04;;-7.46;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM421095;MM421095;C=C(CC)C(=C)CN1CC1;XWPYODONINLBNL-UHFFFAOYSA-N;137.23;1.82;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1_SP1";;;;;;;2.08;;0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM421096;MM421096;CC#Cc1c[nH]c(CO)c1;VBYYNOXEYZDEQH-UHFFFAOYSA-N;135.17;0.88;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC5_SNda";;;;;;;1.64;;0.05;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM421097;MM421097;C=CC(C#N)C(C)=CC=O;ALJWZJYNIMPXOB-UHFFFAOYSA-N;135.17;1.46;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_N0";;;;;;;1.17;;-1.18;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM421098;MM421098;CCC=CC=NN1CC1C;PZYHDKCPBDRUJC-UHFFFAOYSA-N;138.21;1.64;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4_SP1";;;;;;;1.37;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM421099;MM421099;CC12COC(=NO)C1C2N;JKEQODATDIPMIO-UHFFFAOYSA-N;142.16;-0.23;;;;;DOPC;MDCG;27;1;"MARTINI bead: SP1_SP1";;;;;;;-0.79;;-4.83;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM421100;MM421100;C#CC=NOC(C=C)=NO;DLOHGXGOGOLVFK-UHFFFAOYSA-N;138.13;0.6;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda_N0";;;;;;;1.17;;-1.13;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM421101;MM421101;CC#Cc1c[nH]c(CF)c1;OLOWKRTVIMWOKK-UHFFFAOYSA-N;137.16;1.86;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC5_SNda";;;;;;;1.64;;0.05;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM421102;MM421102;N=CN(N)C(=O)C=NN;DRSGENLJPPJQPP-UHFFFAOYSA-N;129.12;-1.76;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_P4";;;;;;;-2.01;;-5.13;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM421103;MM421103;C=CC=C(C)C(C=O)C=O;AZPDKWVGRQDFFJ-UHFFFAOYSA-N;138.17;1.13;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_N0";;;;;;;1.17;;-1.18;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM421104;MM421104;CON=CC=NN1CC1C;MRWNMQHAPMKKFT-UHFFFAOYSA-N;141.17;0.31;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_SP2";;;;;;;-0.24;;-3.24;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM421105;MM421105;NC1C2C(=NO)OCC12N;DGZIJPBYWKFJDR-UHFFFAOYSA-N;143.15;-1.54;;;;;DOPC;MDCG;27;1;"MARTINI bead: SP1_SP2";;;;;;;-1.06;;-5.15;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM421106;MM421106;O=C(O)C#CC=CC=NO;JYRLBYGGJMAIIA-UHFFFAOYSA-N;139.11;0.09;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_N0";;;;;;;0.34;;-6.29;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM421107;MM421107;CCC(=COC)OC=NN;FTTIOKFMQPXSLV-UHFFFAOYSA-N;144.17;0.8;;;;;DOPC;MDCG;27;0;"MARTINI bead: C3_P3";;;;;;;0.6;;-0.8;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM421108;MM421108;NN=CC(=O)N(N)C=O;JLCZZNMPLQFEEN-UHFFFAOYSA-N;130.11;-2.21;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_P3";;;;;;;-1.93;;-4.72;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM421109;MM421109;CC(=CC=O)C(C#N)C=O;YZGYOOKGZRHXIT-UHFFFAOYSA-N;137.14;0.47;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_Na";;;;;;;0.87;;-2.22;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM421110;MM421110;CN=C1CCC2(C)C(C)N12;VPZYRLPJZYMATB-UHFFFAOYSA-N;138.21;1.27;;;;;DOPC;MDCG;27;1;"MARTINI bead: SNd_SN0";;;;;;;1.17;;-3.59;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM421111;MM421111;CC1CC1C=CC=CC=O;VTIXBGWYIGEKTI-UHFFFAOYSA-N;136.19;1.95;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC5_Na";;;;;;;1.64;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM421112;MM421112;C#CC(=CC)CC=CCN;GWIMQVWCISFVDV-UHFFFAOYSA-N;135.21;1.47;;;;;DOPC;MDCG;27;1;"MARTINI bead: C4_P1";;;;;;;1.37;;-2.18;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM421113;MM421113;CC#Cc1c[nH]c(OC)c1;UGFDSDADAXZOCJ-UHFFFAOYSA-N;135.17;1.39;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNda_SC5";;;;;;;1.64;;0.05;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM421114;MM421114;CCC(N)C(C)=CC1CC1;RPYZUWPNHLLBFG-UHFFFAOYSA-N;139.24;2.08;;;;;DOPC;MDCG;27;1;"MARTINI bead: C5_SC5";;;;;;;2.41;;-0.23;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM421115;MM421115;C=CC(C#N)C(N)=CC#N;BNKWVCWQCOWOFD-UHFFFAOYSA-N;133.15;0.68;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_N0";;;;;;;0.34;;-1.53;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM421116;MM421116;Cn1nnc(=NN)n1C;HINSMUQDNXMVDQ-UHFFFAOYSA-N;128.14;-2.07;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP2_SP2";;;;;;;-1.34;;-4.31;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM421117;MM421117;CC1CC1C=CC=CC#N;PBBXNEYXUFHBCJ-UHFFFAOYSA-N;133.19;2.28;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC5_C5";;;;;;;2.41;;0.64;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM421118;MM421118;C#CC(=CC)CC=CCO;RQDGBQKDNMFAQI-UHFFFAOYSA-N;136.19;1.5;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4_Nda";;;;;;;2.2;;0.49;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM421119;MM421119;N#CC(C=O)C(N)=CC=O;VPMXWQQQAAVPQG-UHFFFAOYSA-N;138.13;-0.63;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_Na";;;;;;;-0.24;;-3.24;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM421120;MM421120;CC#Cc1coc(CC)c1;YMEPCIPVIVUVOW-UHFFFAOYSA-N;134.18;2.21;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC4_SC5";;;;;;;2.97;;0.45;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM421121;MM421121;CC1N2C(CN)C=CC12C;YGEAKMGWXBBIHN-UHFFFAOYSA-N;138.21;0.35;;;;;DOPC;MDCG;27;1;"MARTINI bead: SP2_SN0";;;;;;;0.06;;-4.15;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM421122;MM421122;CC(=NN1CC1)C(C)CN;DEEJEYXODRPERZ-UHFFFAOYSA-N;141.22;0.27;;;;;DOPC;MDCG;27;1;"MARTINI bead: C5_SP3";;;;;;;-0.33;;-4.39;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM421123;MM421123;C=CC=CC=CC1CC1N;ZONIABIOFGXCOE-UHFFFAOYSA-N;135.21;1.63;;;;;DOPC;MDCG;27;1;"MARTINI bead: SNd_C1";;;;;;;2.91;;-0.38;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM421124;MM421124;C#CC(=CC)CC=CCF;YECXXZZHEFAMQJ-UHFFFAOYSA-N;138.19;2.48;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4_Na";;;;;;;2.2;;0.34;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM421125;MM421125;CC#Cc1coc(CO)c1;JGLYOJYWRRLPGQ-UHFFFAOYSA-N;136.15;1.14;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC5_SNda";;;;;;;1.64;;0.05;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM421126;MM421126;N#CC(C#N)C(N)=CC=O;RYQPHJYUQHQDHJ-UHFFFAOYSA-N;135.13;-0.31;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_P2";;;;;;;-0.24;;-3.24;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM421127;MM421127;CC(=CC1CO1)N(N)C=N;FJDUTZQWUDOEIL-UHFFFAOYSA-N;141.17;0.07;;;;;DOPC;MDCG;27;1;"MARTINI bead: SNa_P2";;;;;;;-0.24;;-5.48;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM421128;MM421128;COC(=NN)N(C)C=O;JHITZGJCITWCQQ-UHFFFAOYSA-N;131.14;-1.05;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_P2";;;;;;;-1.06;;-3.82;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM421129;MM421129;CC1CC1C=NN=CC#N;YMAHGSZEWHVPCJ-UHFFFAOYSA-N;135.17;1.22;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC5_P2";;;;;;;0.54;;-1.09;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM421130;MM421130;C#CC(=CF)CC=NNC;CYOCXLURFAKWJR-UHFFFAOYSA-N;140.16;1.07;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_C5";;;;;;;0.54;;-1.09;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM421131;MM421131;CC#Cc1coc(CF)c1;QUJGQRMVNBVAOZ-UHFFFAOYSA-N;138.14;2.12;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC5_SC5";;;;;;;2.41;;0.64;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM421132;MM421132;C=CC(C=C)C(F)=CC=O;TXSZLDHJRFSPJS-UHFFFAOYSA-N;140.16;2.03;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_C2";;;;;;;2.83;;0.35;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM421133;MM421133;CC1N2C(C#N)C=CC12C;BJWRWQUFZHYGFC-UHFFFAOYSA-N;134.18;0.91;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP1_SN0";;;;;;;0.34;;-1.53;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM421134;MM421134;CC(=CC1CO1)N(N)C=O;XCFUKKDYLFNHFW-UHFFFAOYSA-N;142.16;-0.38;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNa_P2";;;;;;;-0.24;;-3.24;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM421135;MM421135;C=CC=NN=CC1CC1O;UFWFUGWLQJNTBL-UHFFFAOYSA-N;138.17;0.61;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP1_C5";;;;;;;0.81;;-0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM421136;MM421136;CC#Cc1coc(NC)c1;NTUZOYTZCYUSQM-UHFFFAOYSA-N;135.17;1.69;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNd_SC5";;;;;;;1.64;;0.02;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM421137;MM421137;C#CC(=CC)CC=NOC;RSYGKJURGGHNPU-UHFFFAOYSA-N;137.18;1.59;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_C4";;;;;;;1.37;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM421138;MM421138;C=CC(C=O)C(F)=CC=O;IJHRNDHBFAXECT-UHFFFAOYSA-N;142.13;1.04;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_Na";;;;;;;0.87;;-2.22;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM421139;MM421139;CC1N2N(C=N)C=CC12C;SRRKSBLNFBAIAJ-UHFFFAOYSA-N;137.19;0.8;;;;;DOPC;MDCG;27;1;"MARTINI bead: SP3_SN0";;;;;;;-0.8;;-5.13;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM421140;MM421140;C=CC=NN=CC1CC1F;WHQVDPFAOHSYHE-UHFFFAOYSA-N;140.16;1.59;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNa_C5";;;;;;;1.64;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM421141;MM421141;CCC(=O)C(C)=CC1CC1;XDZKMDYIDIYPSB-UHFFFAOYSA-N;138.21;2.32;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_SC5";;;;;;;2.41;;0.64;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM421142;MM421142;CC#Cc1coc(OC)c1;UCWGEWAQAHCIBA-UHFFFAOYSA-N;136.15;1.66;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNa_SC5";;;;;;;1.64;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM421143;MM421143;C#CC(=CF)CC=NOC;LXAWFXWUAGZJEO-UHFFFAOYSA-N;141.15;1.5;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_C5";;;;;;;0.81;;-0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM421144;MM421144;C=CC(C#N)C(F)=CC=O;GKOQUYYYSOVCDU-UHFFFAOYSA-N;139.13;1.36;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_N0";;;;;;;1.17;;-1.18;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM421145;MM421145;CC1N2N(C=O)C=CC12C;ZZRPAXGHADVGHU-UHFFFAOYSA-N;138.17;0.35;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP2_SN0";;;;;;;0.06;;-2.21;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM421146;MM421146;CC1CN1C=NC=CC=O;OKISYUVLSVGUOS-UHFFFAOYSA-N;138.17;0.43;;;;;DOPC;MDCG;27;1;"MARTINI bead: SNd_P2";;;;;;;-0.24;;-4.55;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM421147;MM421147;CCC(=O)C(C)=CC1CO1;HSDGLZHCMKSCFC-UHFFFAOYSA-N;140.18;1.31;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_SP1";;;;;;;0.81;;-0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM421148;MM421148;COC=C(CF)OC=NN;JBASQGBGEMTVDN-UHFFFAOYSA-N;148.14;0.36;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda_Na";;;;;;;0.87;;-1.99;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM421149;MM421149;C#CC(CC=CCC)=NN;XCHIHBHOJIVZMA-UHFFFAOYSA-N;136.2;1.29;;;;;DOPC;MDCG;27;0;"MARTINI bead: C3_Nd";;;;;;;2.57;;0.53;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM421150;MM421150;C#CC1C=CC2(C)C(C)N12;HKOWONUVBYZLAC-UHFFFAOYSA-N;133.19;1.02;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP1_SN0";;;;;;;0.34;;-1.53;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM421151;MM421151;N#CC(C=O)C(F)=CC=O;DFADDOMWPXURHL-UHFFFAOYSA-N;141.1;0.38;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_Na";;;;;;;0.87;;-2.22;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM421152;MM421152;CC1CN1C=NC=CC#N;UWZRWXRMPIYLNI-UHFFFAOYSA-N;135.17;0.76;;;;;DOPC;MDCG;27;1;"MARTINI bead: SNd_P1";;;;;;;0.04;;-3.73;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM421153;MM421153;C=NN(C)C(=O)C=NN;HHUVXWPSJKGUEF-UHFFFAOYSA-N;128.14;-1;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_P1";;;;;;;-1.06;;-3.82;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM421154;MM421154;C#CC(CC=CCC)=NO;XGNWVKNREKTEOJ-UHFFFAOYSA-N;137.18;1.81;;;;;DOPC;MDCG;27;0;"MARTINI bead: C3_Nda";;;;;;;2.57;;0.44;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM421155;MM421155;CC#Cc1cc(CN)[nH]n1;QFZUVVROHZKYCL-UHFFFAOYSA-N;135.17;0.24;;;;;DOPC;MDCG;27;1;"MARTINI bead: SNda_SP2";;;;;;;-0.24;;-4.38;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM421156;MM421156;CN=C1NCC(=NN)O1;QSVHFTJVIKVAGZ-UHFFFAOYSA-N;128.14;-1.14;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP1_SP2";;;;;;;-1.06;;-3.82;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM421157;MM421157;N#CC=C(F)C(C#N)C=O;GMGUFXQCDXYHQJ-UHFFFAOYSA-N;138.1;0.7;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_Na";;;;;;;0.87;;-2.22;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM421158;MM421158;C=C(C=O)C(C)=CC1CC1;YIWZNLAKKNBUMR-UHFFFAOYSA-N;136.19;2.1;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC5_Na";;;;;;;1.64;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM421159;MM421159;C=CC=NN=CN1CC1C;KCSDHWVGSUKTKJ-UHFFFAOYSA-N;137.19;0.89;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP1_C5";;;;;;;0.81;;-0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM421160;MM421160;C#CC(CC=CCF)=NO;GRHZVSPFSSNJBA-UHFFFAOYSA-N;141.15;1.37;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda_Na";;;;;;;0.87;;-1.99;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM421161;MM421161;CC#Cc1cc(CO)n[nH]1;OCVFGVPQXSUVKL-UHFFFAOYSA-N;136.15;0.27;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNd_SP1";;;;;;;0.04;;-2.63;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM421162;MM421162;CN1C2C(=NN)C=CC21C;XHTGRWCBZRZTTJ-UHFFFAOYSA-N;137.19;-0.06;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNd_SNd";;;;;;;0.87;;-2.11;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM421163;MM421163;C=CN(N)C(=O)CCOC;ZMQVCZKJMRPFTA-UHFFFAOYSA-N;144.17;-0.13;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_P2";;;;;;;-0.24;;-3.24;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM421164;MM421164;CC1CN1C=NN=CC=O;RASWKOCYRVBYSY-UHFFFAOYSA-N;139.16;-0.1;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNd_P1";;;;;;;0.04;;-2.63;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM421165;MM421165;C=CC(=C)C(C)=CC1CO1;AFGOETDSMREJQJ-UHFFFAOYSA-N;136.19;2.07;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNa_C1";;;;;;;2.91;;0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM421166;MM421166;C#CC(CC=COC)=NN;QRZRPYXVXVXJBG-UHFFFAOYSA-N;138.17;0.48;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_Nd";;;;;;;0.87;;-1.88;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM421167;MM421167;C#CC=C(CC)OC=NN;QNYSSIZQZCBJBV-UHFFFAOYSA-N;138.17;0.83;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_P1";;;;;;;0.81;;-0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM421168;MM421168;C=NN=C(C)C(C#N)C#N;HNQWYFUHIBUWJO-UHFFFAOYSA-N;134.14;0.73;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_P2";;;;;;;0.54;;-1.09;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM421169;MM421169;CCC1C=CC2(C)CC2C1;CLKBPSCYVUHUBW-UHFFFAOYSA-N;136.24;3;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC1_SC3";;;;;;;4.61;;0.31;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM421170;MM421170;CC1CN1C=NN=CC#N;HLYTXGZHHFILCM-UHFFFAOYSA-N;136.16;0.23;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNd_P2";;;;;;;-0.24;;-3.16;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM421171;MM421171;C#CC(C)=C(C)CC1CC1;CCZSSMOHNJTAQT-UHFFFAOYSA-N;134.22;2.76;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC5_C4";;;;;;;2.97;;0.45;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM421172;MM421172;C#CC(CC=NOC)=NN;JICQZMNXDYKAKD-UHFFFAOYSA-N;139.16;-0.04;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_Nd";;;;;;;0.04;;-2.63;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM421173;MM421173;C=CC(=COC)OC=NN;HCXLBULWKXKZBR-UHFFFAOYSA-N;142.16;0.58;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda_N0";;;;;;;1.17;;-1.13;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM421174;MM421174;CC(=CC=O)N(C=N)C=O;HODDUWJYCDVLEE-UHFFFAOYSA-N;140.14;0.15;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_P2";;;;;;;-0.24;;-3.24;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM421175;MM421175;CC12C=CC(CN)CC1C2;LMPYGSDECLBRHF-UHFFFAOYSA-N;137.23;1.55;;;;;DOPC;MDCG;27;1;"MARTINI bead: SC4_SC5";;;;;;;2.97;;-0.04;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM421176;MM421176;C#CC(=CC)NC=NCC;SHDSLUJCIYJBSX-UHFFFAOYSA-N;136.2;1.16;;;;;DOPC;MDCG;27;1;"MARTINI bead: C5_Nd";;;;;;;1.64;;-1.71;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM421177;MM421177;C#CC=NN=CC1CC1C;JPODGRYAQMSQPN-UHFFFAOYSA-N;134.18;1.33;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC5_C5";;;;;;;2.41;;0.64;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM421178;MM421178;CCCC1CC1C1(C)CC1;BNCWEYYECMXXOM-UHFFFAOYSA-N;138.25;3.22;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC2_SC5";;;;;;;3.6;;0.34;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM421179;MM421179;C#CC1=CCC(=NN)O1;UKWRSXUETHUHAG-UHFFFAOYSA-N;122.13;0.2;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNd_SNa";;;;;;;0.87;;-1.88;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM421180;MM421180;N=CN(C=N)C(N)=CC=O;GNAJZDDAEXQWEA-UHFFFAOYSA-N;140.15;-0.5;;;;;DOPC;MDCG;27;1;"MARTINI bead: Na_P4";;;;;;;-1.19;;-6.47;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM421181;MM421181;CC#Cc1cc(OC)n[nH]1;FNPCXZUWCJXXKP-UHFFFAOYSA-N;136.15;0.79;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNda_SNd";;;;;;;0.87;;-1.92;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM421182;MM421182;C#CC(=CC)NC=NOC;RIKJUXGFBNVIGP-UHFFFAOYSA-N;138.17;0.7;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_C4";;;;;;;1.09;;-0.38;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM421183;MM421183;C#CC=NN=CC1CC1F;YFOZNRHSHPLUKX-UHFFFAOYSA-N;138.15;1.03;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNa_C5";;;;;;;1.64;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM421184;MM421184;NCCC1CC1C1(N)CC1;XPYXVUDHASIQCT-UHFFFAOYSA-N;140.23;0.46;;;;;DOPC;MDCG;27;1;"MARTINI bead: SNd_SP1";;;;;;;0.04;;-5.77;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM421185;MM421185;CC#Cc1cc(CC)on1;YUGDNLAQEHYWIG-UHFFFAOYSA-N;135.17;1.61;;;;;DOPC;MDCG;27;0;"MARTINI bead: SN0_SC5";;;;;;;1.94;;0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM421186;MM421186;N=CN(C=O)C(N)=CC=O;JEBUNUSMDWXYSC-UHFFFAOYSA-N;141.13;-0.95;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_P4";;;;;;;-1.19;;-4.76;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM421187;MM421187;NC12C=CC(CF)CC1C2;FZPIUMVYUYJUAS-UHFFFAOYSA-N;141.19;1.25;;;;;DOPC;MDCG;27;1;"MARTINI bead: SNd_SC4";;;;;;;2.2;;-1.77;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM421188;MM421188;CON=C(C=NN)OC;UZOZVLJGLYZCAL-UHFFFAOYSA-N;131.14;-0.46;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_P1";;;;;;;0.04;;-2.54;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM421189;MM421189;CCNN=c1occo1;RLEFMFZQNLVYRG-UHFFFAOYSA-N;128.13;0.3;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_SP2";;;;;;;-1.06;;-3.82;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM421190;MM421190;C#CC=NN=CC1OC1C;GZRRJSZECSFBCL-UHFFFAOYSA-N;136.15;0.46;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNa_C5";;;;;;;1.64;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM421191;MM421191;CC#Cc1cc(CO)on1;PEGIVQIFCSMWOA-UHFFFAOYSA-N;137.14;0.54;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC5_SP1";;;;;;;0.81;;-0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM421192;MM421192;NC(=CC=O)N(C=O)C=O;HDYXYANSTLPIDC-UHFFFAOYSA-N;142.11;-1.4;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_P4";;;;;;;-1.19;;-4.76;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM421193;MM421193;NCC1C=CC2(O)CC2C1;HZQFUWORJMJIET-UHFFFAOYSA-N;139.2;0.27;;;;;DOPC;MDCG;27;1;"MARTINI bead: SC5_SNda";;;;;;;1.64;;-2.65;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM421194;MM421194;C#CC(=NC=CCC)NC;KNXIOASWZHTKSA-UHFFFAOYSA-N;136.2;1.16;;;;;DOPC;MDCG;27;1;"MARTINI bead: C3_P1";;;;;;;1.74;;-1.67;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM421195;MM421195;NCCC1CC1C1(O)CC1;DMPRQKLXOXMIPN-UHFFFAOYSA-N;141.21;0.5;;;;;DOPC;MDCG;27;1;"MARTINI bead: SNd_SP1";;;;;;;0.04;;-5.42;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM421196;MM421196;C#CC=CC=NN1CC1C;MAMIXNAHQVQKJB-UHFFFAOYSA-N;134.18;0.87;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP2_C4";;;;;;;1.09;;-0.38;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM421197;MM421197;CC#Cc1cc(CF)on1;AEGHHGHKOQHBMP-UHFFFAOYSA-N;139.13;1.52;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC5_SNa";;;;;;;1.64;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM421198;MM421198;C=NN(C=O)C(N)=CC#N;JKYLTXMIXAPCJZ-UHFFFAOYSA-N;138.13;-0.62;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nd_P2";;;;;;;-0.24;;-3.16;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM421199;MM421199;CCC1C=CC2(F)CC2C1;MKBFIGHNUPRDEA-UHFFFAOYSA-N;140.2;2.7;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC1_SC4";;;;;;;4.24;;0.42;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM421200;MM421200;C#CC(=NO)NC=CCF;XTUVNTPCYLKTMD-UHFFFAOYSA-N;142.13;0.48;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_C5";;;;;;;0.81;;-0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM421201;MM421201;CCC#CC=CC1CC1C;GDNRKJYEVXWGQJ-UHFFFAOYSA-N;134.22;2.61;;;;;DOPC;MDCG;27;0;"MARTINI bead: C3_SC5";;;;;;;3.34;;0.48;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM421202;MM421202;CCc1nc(N)n(N)n1;DFXJBGNHEOAJSY-UHFFFAOYSA-N;127.15;-0.86;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNa_SP2";;;;;;;-0.24;;-3.24;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM421203;MM421203;CC#Cc1cc(OC)on1;SJFNWBXPQXWHQQ-UHFFFAOYSA-N;137.14;1.05;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNa_SC5";;;;;;;1.64;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM421204;MM421204;C=CN(C=C)C(C)=NC=N;YVNPQROIUSDCAF-UHFFFAOYSA-N;137.19;1.6;;;;;DOPC;MDCG;27;1;"MARTINI bead: P3_C5";;;;;;;-0.33;;-3.25;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM421205;MM421205;NCC1C=CC2(F)CC2C1;ZXHVJTNSDUMEOQ-UHFFFAOYSA-N;141.19;1.25;;;;;DOPC;MDCG;27;1;"MARTINI bead: SC5_SC4";;;;;;;2.97;;-0.04;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM421206;MM421206;CC(C=O)N1C(C)C1C;PUXIPIVYUBSFKC-UHFFFAOYSA-N;127.19;0.67;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_SP1";;;;;;;0.04;;-2.54;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM421207;MM421207;NCCC1CC1C1(F)CC1;MDRUODOTWGRRBX-UHFFFAOYSA-N;143.21;1.47;;;;;DOPC;MDCG;27;1;"MARTINI bead: SNd_SNa";;;;;;;0.87;;-4.67;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM421208;MM421208;CC1CC1C=CC#CCN;FKTWAVMZWQSRMY-UHFFFAOYSA-N;135.21;1.16;;;;;DOPC;MDCG;27;1;"MARTINI bead: SC5_Nd";;;;;;;1.64;;-1.26;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM421209;MM421209;C#CC(=C)C(C=O)N(C)C;LDBDXWOHVQRCJN-UHFFFAOYSA-N;137.18;0.3;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_N0";;;;;;;0.34;;-1.53;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM421210;MM421210;CNC1C=CC2(F)CC2C1;BRDXJTJLSDLHKN-UHFFFAOYSA-N;141.19;1.26;;;;;DOPC;MDCG;27;1;"MARTINI bead: SNd_SC4";;;;;;;2.2;;-1.89;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM421211;MM421211;CNN(C)C(=O)C1CN1;VLMQLNQHIRLBFQ-UHFFFAOYSA-N;129.16;-1.45;;;;;DOPC;MDCG;27;0;"MARTINI bead: P3_SP2";;;;;;;-2.2;;-5.19;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM421212;MM421212;C=CN(C=O)C(C)=NC=O;ZZZRVLHRMPDGTC-UHFFFAOYSA-N;140.14;0.16;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_P2";;;;;;;-0.24;;-3.24;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM421213;MM421213;C=Cc1nc(N)c(C)o1;NSWBEQBYIFSWQP-UHFFFAOYSA-N;124.14;1.21;;;;;DOPC;MDCG;27;0;"MARTINI bead: SN0_SNda";;;;;;;1.17;;-1.13;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM421214;MM421214;CC1CC1C=CC#CCO;WOQKSBBVDISYHC-UHFFFAOYSA-N;136.19;1.19;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC4_P2";;;;;;;1.09;;-0.38;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM421215;MM421215;CC#Cc1c[nH]c(OC)n1;ZBPVTGLGYSRUKA-UHFFFAOYSA-N;136.15;0.79;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNda_SNda";;;;;;;0.87;;-2.07;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM421216;MM421216;C=CC(C)(O)CC(=C)CC;LRBWVDGJZCIZLB-UHFFFAOYSA-N;140.23;2.28;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1_Nda";;;;;;;2.91;;0.57;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM421217;MM421217;COC1C=CC2(C)CC2C1;HPYMEGJJTPSLRM-UHFFFAOYSA-N;138.21;1.99;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC5_SC3";;;;;;;3.34;;0.48;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM421218;MM421218;CC(=NC=N)N(C=N)C=O;FARQQUJETCJVBB-UHFFFAOYSA-N;140.15;0.08;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nd_P4";;;;;;;-1.19;;-4.91;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM421219;MM421219;CNCC1CC1C1(C)CC1;XAUOMZARXLJHLK-UHFFFAOYSA-N;139.24;1.64;;;;;DOPC;MDCG;27;1;"MARTINI bead: SNd_SC5";;;;;;;1.64;;-3.04;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM421220;MM421220;CC1CC1C=CC#CCF;DZAIIYOBAYULDO-UHFFFAOYSA-N;138.19;2.17;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC4_Na";;;;;;;2.2;;0.34;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM421221;MM421221;CC#Cc1coc(CC)n1;LWOMBTYHITYHGX-UHFFFAOYSA-N;135.17;1.61;;;;;DOPC;MDCG;27;0;"MARTINI bead: SN0_SC5";;;;;;;1.94;;0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM421222;MM421222;CCC1C=CC2(O)CC2N1;FCFHDPVKQXVPOR-UHFFFAOYSA-N;139.2;0.43;;;;;DOPC;MDCG;27;1;"MARTINI bead: SC5_SP1";;;;;;;0.81;;-2.14;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM421223;MM421223;C=CC(C)(O)CC(C)=CC;USBBKEWRBODIRL-UHFFFAOYSA-N;140.23;2.28;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1_Nda";;;;;;;2.91;;0.57;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM421224;MM421224;CC(=NC=O)N(C=N)C=O;RYXMMOYDYMGSPH-UHFFFAOYSA-N;141.13;-0.37;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_P4";;;;;;;-1.19;;-4.76;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM421225;MM421225;CCC#CC=CC1OC1C;AMAQAWSQGJMOSN-UHFFFAOYSA-N;136.19;1.74;;;;;DOPC;MDCG;27;0;"MARTINI bead: C3_SNa";;;;;;;2.57;;0.45;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM421226;MM421226;CNCC1CC1C1(N)CC1;COVGTJWKHJLWOX-UHFFFAOYSA-N;140.23;0.33;;;;;DOPC;MDCG;27;1;"MARTINI bead: SNd_SP1";;;;;;;0.04;;-5.96;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM421227;MM421227;CC#Cc1coc(CO)n1;ONGKDNCOSKMRIG-UHFFFAOYSA-N;137.14;0.54;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC5_SP1";;;;;;;0.81;;-0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM421228;MM421228;NCC1C=CC2(O)CC2O1;VFSGJCGHWDFMCG-UHFFFAOYSA-N;141.17;-0.6;;;;;DOPC;MDCG;27;1;"MARTINI bead: SNda_SP1";;;;;;;0.04;;-4.75;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM421229;MM421229;C#CC(=NO)NN=CCF;LUSXJCZDYQEYMR-UHFFFAOYSA-N;143.12;-0.05;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_C5";;;;;;;0.54;;-1.09;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM421230;MM421230;CC(=NC=N)N(C=O)C=O;DJBBLKYDLILFRG-UHFFFAOYSA-N;141.13;-0.37;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nd_P4";;;;;;;-1.19;;-4.91;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM421231;MM421231;CNCC1CC1C1(C)CN1;VKDHWPSSFAZIGH-UHFFFAOYSA-N;140.23;0.2;;;;;DOPC;MDCG;27;1;"MARTINI bead: SNd_SP1";;;;;;;0.04;;-5.77;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM421232;MM421232;CC1OC1C=CC#CCN;ICDJKIXWRCAADA-UHFFFAOYSA-N;137.18;0.29;;;;;DOPC;MDCG;27;1;"MARTINI bead: SNa_Nd";;;;;;;0.87;;-3.23;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM421233;MM421233;CC#Cc1coc(CF)n1;RRSWQQWNDTUDHA-UHFFFAOYSA-N;139.13;1.52;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC5_SNa";;;;;;;1.64;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM421234;MM421234;CCC1C=CC2(F)CC2O1;CYIYBTZTQVSOHN-UHFFFAOYSA-N;142.17;1.83;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC5_SNa";;;;;;;1.64;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM421235;MM421235;C#CC(C)(C#C)C(C)(C)O;LNRFSZRQOSREED-UHFFFAOYSA-N;136.19;1.03;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda_C5";;;;;;;1.64;;0.05;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM421236;MM421236;CCNC1CC1C1(C)CN1;OWQOWBRLXJNIJW-UHFFFAOYSA-N;140.23;0.35;;;;;DOPC;MDCG;27;1;"MARTINI bead: SNd_SP1";;;;;;;0.04;;-5.13;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM421237;MM421237;C=CN(N=C)C(C)=NC=N;BBQORMXZXNWOMQ-UHFFFAOYSA-N;138.17;1.07;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nd_P1";;;;;;;0.04;;-2.63;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM421238;MM421238;CCC#CC=NN1CC1C;UILBINVVNVGPHD-UHFFFAOYSA-N;136.2;1.09;;;;;DOPC;MDCG;27;0;"MARTINI bead: C3_SP2";;;;;;;1.46;;-0.15;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM421239;MM421239;CC#Cc1coc(NC)n1;SMUUXGWHOFHHMO-UHFFFAOYSA-N;136.15;1.09;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNd_SC5";;;;;;;1.64;;0.02;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM421240;MM421240;C#CC(=CC)OC=CCO;LGNHBGGELJOTGK-UHFFFAOYSA-N;138.17;1.05;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_Nda";;;;;;;0.87;;-1.99;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM421241;MM421241;NCC1C=CC2(F)CC2O1;WJCNUHDSMOOTTC-UHFFFAOYSA-N;143.16;0.38;;;;;DOPC;MDCG;27;1;"MARTINI bead: SNda_SNa";;;;;;;0.87;;-4.02;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM421242;MM421242;C=NN(C=N)C(C)=NC=N;VTGNCDARNUWPSC-UHFFFAOYSA-N;139.16;0.54;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nd_P2";;;;;;;-0.24;;-3.16;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM421243;MM421243;CCCC1CC1C1(C)CO1;OZGIUWBFYTXEMV-UHFFFAOYSA-N;140.23;2.21;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC2_SNa";;;;;;;2.83;;0.35;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM421244;MM421244;CC1CN1N=CC#CCN;IOKNITOJMPEHTO-UHFFFAOYSA-N;137.19;-0.36;;;;;DOPC;MDCG;27;1;"MARTINI bead: SP2_Nd";;;;;;;-0.24;;-4.36;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM421245;MM421245;CC#Cc1coc(OC)n1;SMDLXPXVCLKUOG-UHFFFAOYSA-N;137.14;1.05;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNa_SC5";;;;;;;1.64;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM421246;MM421246;C#CC(=CF)OC=CCC;IXYLDCFZKOPYHZ-UHFFFAOYSA-N;140.16;2.37;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_C5";;;;;;;2.41;;0.64;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM421247;MM421247;COC1C=CC2(O)CC2O1;JKZKWHQFJDACPM-UHFFFAOYSA-N;142.15;0.05;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNa_SP1";;;;;;;0.04;;-2.54;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM421248;MM421248;NCCC1NC1C1(N)CC1;QDWNFCVVCBYWHC-UHFFFAOYSA-N;141.22;-0.83;;;;;DOPC;MDCG;27;1;"MARTINI bead: SP2_SP1";;;;;;;-1.06;;-6.41;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM421249;MM421249;C=NN(C=N)C(C)=NC=O;AQDDYEYAKLUYBB-UHFFFAOYSA-N;140.15;0.09;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_P2";;;;;;;-0.24;;-3.24;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM421250;MM421250;CC1CN1N=CC#CCF;DBRWBTLKUXWWAE-UHFFFAOYSA-N;140.16;0.65;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP1_Na";;;;;;;0.04;;-2.54;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM421251;MM421251;CC#Cc1n[nH]c(NC)n1;YOXANVGCWSLIGN-UHFFFAOYSA-N;136.16;0.22;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP1_SNda";;;;;;;0.04;;-2.73;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM421252;MM421252;C#CC(=CF)OC=CCN;BUIDHUUVLDVGCI-UHFFFAOYSA-N;141.15;0.92;;;;;DOPC;MDCG;27;1;"MARTINI bead: P2_C5";;;;;;;0.54;;-3.25;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM421253;MM421253;COC1C=CC2(F)CC2O1;JGIOZVDWXOEXON-UHFFFAOYSA-N;144.15;1.03;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNa_SNa";;;;;;;0.87;;-2.22;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM421254;MM421254;CNCC1NC1C1(N)CC1;KTUCCIQMCYGDCE-UHFFFAOYSA-N;141.22;-0.96;;;;;DOPC;MDCG;27;1;"MARTINI bead: SP2_SP1";;;;;;;-1.06;;-6.2;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM421255;MM421255;C=NN(C=O)C(C)=NC=N;HTYGLPOVQBORAV-UHFFFAOYSA-N;140.15;0.09;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nd_P2";;;;;;;-0.24;;-3.16;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM421256;MM421256;C=CC#CC=CC1CC1C;FAJSLXGIVWCZHJ-UHFFFAOYSA-N;132.21;2.39;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC5_C4";;;;;;;2.97;;0.45;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM421257;MM421257;CC#Cc1noc(CC)n1;WRNKFPFSQJYWEK-UHFFFAOYSA-N;136.15;1;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNa_SNa";;;;;;;0.87;;-2.22;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM421258;MM421258;C#CC(=CF)OC=CCO;GULXUBNQCHDXGM-UHFFFAOYSA-N;142.13;0.95;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_C5";;;;;;;0.54;;-1.09;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM421259;MM421259;CCN1CC2CC2(C)C=N1;FDCSZUKJBXTVEM-UHFFFAOYSA-N;138.21;1.33;;;;;DOPC;MDCG;27;0;"MARTINI bead: SN0_SP1";;;;;;;0.34;;-1.53;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM421260;MM421260;CC1(C2NC2CCN)CO1;UDXGVMMBNQGEJB-UHFFFAOYSA-N;142.2;-0.54;;;;;DOPC;MDCG;27;1;"MARTINI bead: SNa_SP2";;;;;;;-0.24;;-5.68;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM421261;MM421261;C=NN(C=O)C(C)=NC=O;SFVNJOWLXDLMGX-UHFFFAOYSA-N;141.13;-0.36;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_P2";;;;;;;-0.24;;-3.24;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM421262;MM421262;CC1CC1C=CC#CC=O;XVUJQHYSXIEUDF-UHFFFAOYSA-N;134.18;1.4;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC4_P1";;;;;;;1.37;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM421263;MM421263;CC#Cc1noc(CO)n1;XVCPGZBCULPDMI-UHFFFAOYSA-N;138.13;-0.07;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNa_SP1";;;;;;;0.04;;-2.54;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM421264;MM421264;C#CC(=CC)OC=COC;ZPZSVSVEHXYUKM-UHFFFAOYSA-N;138.17;1.66;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_C4";;;;;;;1.37;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM421265;MM421265;NN=CC=NN=CCF;BTMHUDBTSQYUPK-UHFFFAOYSA-N;130.13;-0.04;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_C5";;;;;;;0.54;;-1.09;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM421266;MM421266;CC1CC1C=CC#CC#N;SSSAPDCXNXJPOM-UHFFFAOYSA-N;131.18;1.73;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC5_N0";;;;;;;1.94;;0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM421267;MM421267;CCCC1OC1C1(C)CC1;SKXUTYMJZOLFCW-UHFFFAOYSA-N;140.23;2.35;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNa_SC5";;;;;;;1.64;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM421268;MM421268;C=NN=C(C)N(C=N)N=C;BQKQYSFYISQEBO-UHFFFAOYSA-N;139.16;0.55;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_P2";;;;;;;0.54;;-1.09;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM421269;MM421269;CC#Cc1noc(CF)n1;CEXULJFNOKAUHY-UHFFFAOYSA-N;140.12;0.91;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNa_SNa";;;;;;;0.87;;-2.22;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM421270;MM421270;C#CC(=CF)OC=COC;GZEWJPSJHJMTRX-UHFFFAOYSA-N;142.13;1.56;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_Na";;;;;;;0.87;;-2.22;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM421271;MM421271;CCN1CC2CC2(F)C=N1;YXMVEQUGXVPGNO-UHFFFAOYSA-N;142.18;1.04;;;;;DOPC;MDCG;27;0;"MARTINI bead: SN0_SP1";;;;;;;0.34;;-1.53;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM421272;MM421272;C=CC#CC=CC1CC1N;IXKYXCJCQNBNBH-UHFFFAOYSA-N;133.19;1.08;;;;;DOPC;MDCG;27;1;"MARTINI bead: SP1_C4";;;;;;;1.37;;-2.54;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM421273;MM421273;CCCC1OC1C1(N)CC1;RUXZSEBGNKUKOS-UHFFFAOYSA-N;141.21;1.05;;;;;DOPC;MDCG;27;1;"MARTINI bead: SNa_SP1";;;;;;;0.04;;-4.65;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM421274;MM421274;C=NN=C(C)N(C=O)N=C;VXOAOQHUYKHWPF-UHFFFAOYSA-N;140.15;0.09;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_P2";;;;;;;0.54;;-1.09;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM421275;MM421275;CC#Cc1noc(NC)n1;PNDGEMGSKMMDJS-UHFFFAOYSA-N;137.14;0.48;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNda_SNa";;;;;;;0.87;;-1.99;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM421276;MM421276;C=C(C)CC1C(C)C1(C)O;BMBLNWWLAOFFSQ-UHFFFAOYSA-N;140.23;1.97;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4_SNda";;;;;;;2.2;;0.49;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM421277;MM421277;N#CC1C=CC2(F)CC2C1;JSSFUHHWNYZWFA-UHFFFAOYSA-N;137.16;1.81;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC5_SC5";;;;;;;2.41;;0.64;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM421278;MM421278;N#CC#CC=CC1CC1O;NKNMSSBBHYLDTE-UHFFFAOYSA-N;133.15;0.45;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP1_N0";;;;;;;0.34;;-1.53;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM421279;MM421279;CCCC1OC1C1(F)CC1;KWCKFXCPNHCTGE-UHFFFAOYSA-N;144.19;2.06;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNa_SNa";;;;;;;0.87;;-2.22;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM421280;MM421280;C#CC=C(C)C(C=C)C=O;DMLHXADNLVJHEG-UHFFFAOYSA-N;134.18;1.57;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4_Na";;;;;;;2.2;;0.34;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM421281;MM421281;CC#CC1CC(C)(O)C1C;FGASLOGIMDUTBB-UHFFFAOYSA-N;138.21;1.42;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC3_SNda";;;;;;;2.57;;0.44;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM421282;MM421282;CC#Cc1noc(OC)n1;JJBALMWKDIDYEH-UHFFFAOYSA-N;138.13;0.45;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNa_SNa";;;;;;;0.87;;-2.22;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM421283;MM421283;C=CC#CC=CC1OC1C;ORLIZXJQDSXXOC-UHFFFAOYSA-N;134.18;1.52;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNa_C4";;;;;;;2.2;;0.34;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM421284;MM421284;N#CC1C=CC2(F)CC2N1;PMIVYVUXERJYTC-UHFFFAOYSA-N;138.15;0.52;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC5_SNd";;;;;;;1.64;;0.02;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM421285;MM421285;CCCN1CC1C1(F)CC1;CZAHQOMVUXAGOI-UHFFFAOYSA-N;143.21;1.58;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNd_SNa";;;;;;;0.87;;-1.88;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM421286;MM421286;C#CC(=CC)OC=NOC;IMNYYIGEIJMPRS-UHFFFAOYSA-N;139.15;1.13;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_C4";;;;;;;1.09;;-0.38;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM421287;MM421287;C#CC=C(F)C(C=C)C=C;WEUAAAXYMNWNSL-UHFFFAOYSA-N;136.17;2.46;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_C2";;;;;;;3.6;;0.34;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM421288;MM421288;C=CC1=CC(C#CC)=CC1;OSXKYSPPBMBZMS-UHFFFAOYSA-N;130.19;2.45;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC4_SC4";;;;;;;3.53;;0.53;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM421289;MM421289;CC1OC1C=CC#CC#N;AZAATBRYFGUCBG-UHFFFAOYSA-N;133.15;0.86;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNa_N0";;;;;;;1.17;;-1.18;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM421290;MM421290;CC12C=CN(C=O)CC1C2;MBIBFMZNHYWVQC-UHFFFAOYSA-N;137.18;1;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC4_SNda";;;;;;;2.2;;0.49;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM421291;MM421291;C=CCC1CC1C1(C)CC1;MYPXTYYXPHBDQA-UHFFFAOYSA-N;136.24;3;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC5_SC4";;;;;;;2.97;;0.45;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM421292;MM421292;CCCC(C)CC(O)CC;NBUAJOLSZMKRIT-UHFFFAOYSA-N;144.26;2.58;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1_Nda";;;;;;;2.91;;0.57;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM421293;MM421293;C#CC=C(F)C(C=C)C=O;RCWAHTGPIICCIO-UHFFFAOYSA-N;138.14;1.47;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_Na";;;;;;;1.64;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM421294;MM421294;CC#CC1=CCC(C=O)=C1;WSAHKPYGIGAHDQ-UHFFFAOYSA-N;132.16;1.47;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC4_SNa";;;;;;;2.2;;0.34;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM421295;MM421295;CN1CC1C=CC#CC#N;UANQEFBPMBSVJZ-UHFFFAOYSA-N;132.17;0.38;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNd_N0";;;;;;;1.17;;-1.04;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM421296;MM421296;NC12C=CN(C=O)CC1C2;VGCIYBCFYMSHKZ-UHFFFAOYSA-N;138.17;-0.31;;;;;DOPC;MDCG;27;1;"MARTINI bead: SNd_SNda";;;;;;;0.87;;-3.79;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM421297;MM421297;CC1(C2CC2CC#N)CC1;JQWBKJWMTKPTBC-UHFFFAOYSA-N;135.21;2.34;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC5_SC5";;;;;;;2.41;;0.64;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM421298;MM421298;C=CCC(=C)CC(O)CC;KYMHVKFKBPIAED-UHFFFAOYSA-N;140.23;2.28;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda_C1";;;;;;;2.91;;0.57;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM421299;MM421299;CC#CC1=CCC(C#N)=C1;XZAMDKILNODCSJ-UHFFFAOYSA-N;129.16;1.79;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC4_SN0";;;;;;;2.5;;0.44;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM421300;MM421300;C#CC=C(F)C(C#N)C#N;GUNLLXIVLAQFLD-UHFFFAOYSA-N;134.11;1.14;;;;;DOPC;MDCG;27;0;"MARTINI bead: N0_Na";;;;;;;1.17;;-1.17;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM421301;MM421301;C=CC#CC=NN1CC1C;NXVPRCZRNULATM-UHFFFAOYSA-N;134.18;0.87;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP2_C4";;;;;;;1.09;;-0.38;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM421302;MM421302;N=CN1C=CC2(O)CC2C1;ZPKVPVMEXZRFEK-UHFFFAOYSA-N;138.17;0.17;;;;;DOPC;MDCG;27;1;"MARTINI bead: SNda_SNd";;;;;;;0.87;;-5.27;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM421303;MM421303;NN=Cc1noc(=O)o1;XGQPKZFFPZWPJB-UHFFFAOYSA-N;129.08;-1.08;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_SP2";;;;;;;-1.06;;-3.82;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM421304;MM421304;C=Cc1cc(C#CC)c[nH]1;KBHOAPBSIDBIJV-UHFFFAOYSA-N;131.18;2.03;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC5_SNd";;;;;;;1.64;;0.02;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM421305;MM421305;C#CC(=NO)OC=CCC;NUKIOXDAUXQQTH-UHFFFAOYSA-N;139.15;1.35;;;;;DOPC;MDCG;27;0;"MARTINI bead: C3_P2";;;;;;;1.46;;-0.15;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM421306;MM421306;C#CC=C(C)N(C=N)C=O;UTHBSJBNHUPNLX-UHFFFAOYSA-N;136.15;0.59;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4_P4";;;;;;;0.15;;-2.18;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM421308;MM421308;CC1CN1N=CC#CC=O;OXPPRSACSWZVQE-UHFFFAOYSA-N;136.15;-0.12;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP1_P1";;;;;;;-0.79;;-3.13;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM421307;MM421307;O=CN1C=CC2(O)CC2C1;UJZUAVZONHMMLF-UHFFFAOYSA-N;139.15;-0.28;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNda_SNda";;;;;;;0.87;;-2.07;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM421309;MM421309;CN(N)C(=O)CC1CO1;FHKWTSQFXKFQQJ-UHFFFAOYSA-N;130.15;-0.89;;;;;DOPC;MDCG;27;0;"MARTINI bead: P4_SNa";;;;;;;-1.19;;-4.76;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM421310;MM421310;CC#Cc1c[nH]c(C#N)c1;IFBQIUJBBNCQTO-UHFFFAOYSA-N;130.15;1.26;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC5_SNd";;;;;;;1.64;;0.02;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM421311;MM421311;C#CC(=NO)OC=CCO;DVJPJFJOHQIHIQ-UHFFFAOYSA-N;141.13;-0.07;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_Nda";;;;;;;0.04;;-2.73;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM421312;MM421312;C#CC(C=C)C(C)=CCC;IQRFMVGWVROWRM-UHFFFAOYSA-N;134.22;2.78;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1_C5";;;;;;;3.68;;0.46;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM421313;MM421313;N=CN1C=CC2(F)CC2C1;ALYFEQDXNZZYJM-UHFFFAOYSA-N;140.16;1.15;;;;;DOPC;MDCG;27;1;"MARTINI bead: SC5_SNd";;;;;;;1.64;;-3.2;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM421314;MM421314;CC1CN1N=CC#CC#N;GIPBUBDAOSADNK-UHFFFAOYSA-N;133.15;0.2;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP1_P1";;;;;;;-0.79;;-3.13;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM421315;MM421315;C=Cc1cc(C#CC)co1;VMPCOVWOIIMRCZ-UHFFFAOYSA-N;132.16;2.29;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC5_SC5";;;;;;;2.41;;0.64;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM421316;MM421316;C=CCC1CC1C1(F)CC1;SHRZPILOAMVVCC-UHFFFAOYSA-N;140.2;2.7;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNa_SC4";;;;;;;2.2;;0.34;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM421317;MM421317;C#CC(=CC)CC=CC=C;YTEGTYZNLLIUAU-UHFFFAOYSA-N;132.21;2.7;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4_C1";;;;;;;4.24;;0.42;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM421318;MM421318;C#CC#CC=CC1CC1C;ZBHBKMNTYHRWGR-UHFFFAOYSA-N;130.19;1.84;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC5_C4";;;;;;;2.97;;0.45;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM421319;MM421319;C#CC(C#N)C(C)=CCC;CDFDMPXQHJBZBH-UHFFFAOYSA-N;133.19;2.12;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1_N0";;;;;;;3.21;;0.46;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM421320;MM421320;O=CN1C=CC2(F)CC2C1;QNBYKWIGLSHUAC-UHFFFAOYSA-N;141.15;0.7;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC5_SNda";;;;;;;1.64;;0.05;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM421321;MM421321;N#CCC1CC1C1(F)CC1;SLTRYDAZPICSIE-UHFFFAOYSA-N;139.17;2.04;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNa_SC5";;;;;;;1.64;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM421322;MM421322;CC#Cc1coc(C=O)c1;KBGXIXOPKAQENW-UHFFFAOYSA-N;134.13;1.46;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC5_SNa";;;;;;;1.64;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM421323;MM421323;C#CC(=CC)CC=CC=O;WWYQVLDZECEBCW-UHFFFAOYSA-N;134.18;1.71;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4_Na";;;;;;;2.2;;0.34;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM421324;MM421324;C#CC(C=O)C(C)=CCF;TYTNDVUPPJTYIT-UHFFFAOYSA-N;140.16;1.35;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_Na";;;;;;;1.64;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM421325;MM421325;C#CC#CC=CC1CC1N;LCBXGMHAOPCQKM-UHFFFAOYSA-N;131.18;0.53;;;;;DOPC;MDCG;27;1;"MARTINI bead: SP1_C2";;;;;;;2;;-1.23;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM421326;MM421326;CC12C=NN(C=N)CC1C2;WITLOAOEZXZOKT-UHFFFAOYSA-N;137.19;0.92;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC4_SP1";;;;;;;1.37;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM421327;MM421327;C=COC1CC1C1(C)CC1;OFVVXABELHILPP-UHFFFAOYSA-N;138.21;2.34;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC5_SNa";;;;;;;1.64;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM421328;MM421328;CC#Cc1coc(C#N)c1;WLTTXCIIFBEWPG-UHFFFAOYSA-N;131.13;1.52;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC5_SN0";;;;;;;1.94;;0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM421329;MM421329;C#CC(C=C)C(F)=CCN;OPEXXIFHQAVJKS-UHFFFAOYSA-N;139.17;1.23;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1_C5";;;;;;;0.81;;-2.64;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM421330;MM421330;C#CC(=CC)CC=CC#N;CFROKRHNANOZKS-UHFFFAOYSA-N;131.18;2.04;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4_N0";;;;;;;2.5;;0.44;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM421331;MM421331;C=NNC(=N)C#CC=CC;ADHYXJXWRQUFSD-UHFFFAOYSA-N;135.17;0.75;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4_P2";;;;;;;1.09;;-0.38;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM421332;MM421332;CC12C=NN(C=O)CC1C2;UQFLFVFSYQCLSX-UHFFFAOYSA-N;138.17;0.47;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC4_SP1";;;;;;;1.37;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM421333;MM421333;C=COC1CC1C1(O)CC1;CMEHTMNOFFCRGD-UHFFFAOYSA-N;140.18;1.06;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP1_SNa";;;;;;;0.04;;-2.54;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM421334;MM421334;CCC(OC=NN)C(C)F;JZRRSECHBDDOBA-UHFFFAOYSA-N;148.18;1.04;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda_C5";;;;;;;1.64;;0.05;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM421335;MM421335;C#CC(=CF)CC=CC=C;NJPDIOBARFAUHA-UHFFFAOYSA-N;136.17;2.61;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_C4";;;;;;;2.97;;0.45;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM421336;MM421336;C#CC(C=C)C(C)=COC;FIWQWNTXLVESQM-UHFFFAOYSA-N;136.19;1.97;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_C5";;;;;;;2.41;;0.64;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM421337;MM421337;C#CC#CC=CC1OC1C;HZRGTYNYENTKMD-UHFFFAOYSA-N;132.16;0.97;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNa_C4";;;;;;;2.2;;0.34;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM421338;MM421338;NC12C=NN(C=O)CC1C2;OMSFKQCSDJPURG-UHFFFAOYSA-N;139.16;-0.84;;;;;DOPC;MDCG;27;1;"MARTINI bead: SNd_SP1";;;;;;;0.04;;-3.77;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM421339;MM421339;C=COC1CC1C1(F)CC1;IGJNDZNTEDHXBH-UHFFFAOYSA-N;142.17;2.04;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNa_SNa";;;;;;;0.87;;-2.22;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM421340;MM421340;C=Cn1nc(O)c(F)n1;JXHCMDNOKMSBAM-UHFFFAOYSA-N;129.09;0.22;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNa_SNda";;;;;;;0.87;;-7.32;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM421341;MM421341;C#CC(=CF)CC=CC=O;QBTSNLAAEUMCDM-UHFFFAOYSA-N;138.14;1.62;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_Na";;;;;;;1.64;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM421342;MM421342;C#CC(C=C)C(C)=NOC;PDQPOUCQLAIHKD-UHFFFAOYSA-N;137.18;1.44;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_C5";;;;;;;1.64;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM421343;MM421343;C=CCC1CC1C1(C)CO1;ANHFTOGXIMGLLK-UHFFFAOYSA-N;138.21;1.99;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNa_SC4";;;;;;;2.2;;0.34;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM421344;MM421344;NN=c1nnncn1N;LQWVSDPLRHBPHH-UHFFFAOYSA-N;127.11;-2.84;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP3_SP3";;;;;;;-3.07;;-6.15;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM421345;MM421345;C#CC#CC=CC1CN1C;LLNZCRCZZDUFFW-UHFFFAOYSA-N;131.18;0.49;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNd_C4";;;;;;;2.2;;0.32;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM421346;MM421346;CC#Cc1cc(C#N)[nH]n1;DCBOLTBQHSNXRO-UHFFFAOYSA-N;131.14;0.65;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNda_SNd";;;;;;;0.87;;-1.92;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM421347;MM421347;C#CC(=CC)CC=NN=C;PZBGBNAUZAZJQO-UHFFFAOYSA-N;134.18;1.64;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4_N0";;;;;;;2.5;;0.44;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM421348;MM421348;CC1(C2CC2CC#N)CO1;XHBUYDVEULWCRC-UHFFFAOYSA-N;137.18;1.33;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNa_SC5";;;;;;;1.64;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM421349;MM421349;O=CN1CC2CC2(O)C=N1;JETUNFGPZRPJQU-UHFFFAOYSA-N;140.14;-0.8;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNda_SP1";;;;;;;0.04;;-2.73;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM421350;MM421350;C=NN=CC(=O)C(=O)CC;QBKQBTDJQRPZGX-UHFFFAOYSA-N;140.14;0.22;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_Na";;;;;;;0.87;;-2.22;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM421351;MM421351;C#CC#CC=NN1CC1C;KVTHWQKKWRGOOM-UHFFFAOYSA-N;132.17;0.31;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP2_C4";;;;;;;1.09;;-0.38;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM421352;MM421352;C=Cc1cc(C#CC)no1;OCTRAMMVJBHBQF-UHFFFAOYSA-N;133.15;1.69;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC5_SN0";;;;;;;1.94;;0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM421353;MM421353;C#CC(=CF)CC=NN=C;SXAUVAMBAVNSOL-UHFFFAOYSA-N;138.15;1.55;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_N0";;;;;;;1.94;;0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM421354;MM421354;C=COC1CC1C1(C)CO1;STOTYIUCMOFJPV-UHFFFAOYSA-N;140.18;1.32;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNa_SNa";;;;;;;0.87;;-2.22;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM421355;MM421355;CCCCC#CC1CC1C;VTQAXMYMWKIVIG-UHFFFAOYSA-N;136.24;2.84;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1_SC5";;;;;;;3.68;;0.46;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM421356;MM421356;N=CN1CC2CC2(F)C=N1;ZDDJHWMARWFPLW-UHFFFAOYSA-N;141.15;0.62;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC5_SP1";;;;;;;0.81;;-0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM421357;MM421357;C#CC(C=C)C(C)=CC=O;ADPHUTSGFNBELL-UHFFFAOYSA-N;134.18;1.57;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_C5";;;;;;;1.64;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM421358;MM421358;CC#Cc1cc(C=O)on1;YGDYZGMGJDZGKK-UHFFFAOYSA-N;135.12;0.86;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC5_SNa";;;;;;;1.64;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM421359;MM421359;C#CC(CC=CC=C)=NN;JUPRWEPRCYTEKR-UHFFFAOYSA-N;134.18;1.07;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nd_C4";;;;;;;2.2;;0.32;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM421360;MM421360;CC1CC1C#CCCC#N;HJNBPWBLEPUPNW-UHFFFAOYSA-N;133.19;1.95;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC5_N0";;;;;;;1.94;;0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM421361;MM421361;C=NOC1CC1C1(C)CO1;FCROCNDJKKBENH-UHFFFAOYSA-N;141.17;0.8;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNa_SNa";;;;;;;0.87;;-2.22;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM421362;MM421362;O=CN1CC2CC2(F)C=N1;ZIWWBZNDFLBACV-UHFFFAOYSA-N;142.13;0.17;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC5_SP1";;;;;;;0.81;;-0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM421363;MM421363;C#CC(C=O)C(C)=CC=C;FMPYSNBVQLPBEL-UHFFFAOYSA-N;134.18;1.57;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4_Na";;;;;;;2.2;;0.34;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM421364;MM421364;CC#Cc1cc(C#N)on1;UQXAFWJUYSPSCN-UHFFFAOYSA-N;132.12;0.92;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC5_SN0";;;;;;;1.94;;0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM421365;MM421365;CCC(O)CC(C)=CC=O;JADFHIXODNIYDP-UHFFFAOYSA-N;142.2;1.29;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda_N0";;;;;;;1.17;;-1.13;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM421366;MM421366;C=CCCC#CC1CC1O;WGXCWRBVKGNYHE-UHFFFAOYSA-N;136.19;1.34;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP1_C3";;;;;;;1.74;;0.29;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM421367;MM421367;CC1(C2NC2CC#N)CC1;OPTUIKQEAVHLTP-UHFFFAOYSA-N;136.2;1.04;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC5_SP2";;;;;;;0.54;;-1.09;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM421368;MM421368;N=CN1C=CC2(O)CC2N1;QQSXJPPSSZOIBN-UHFFFAOYSA-N;139.16;-0.57;;;;;DOPC;MDCG;27;1;"MARTINI bead: SNda_SP2";;;;;;;-0.24;;-5.6;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM421369;MM421369;C#CC(C#N)C(C)=CC=O;LHJQCKUWZJYANW-UHFFFAOYSA-N;133.15;0.9;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_N0";;;;;;;1.17;;-1.18;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM421370;MM421370;C#CC(CC=NN=C)=NO;YHVVNDFOELKHDV-UHFFFAOYSA-N;137.14;0.53;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda_N0";;;;;;;1.17;;-1.13;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM421371;MM421371;C=Cc1nc(C#CC)co1;LXRGQGQLOSAQPR-UHFFFAOYSA-N;133.15;1.69;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC5_SN0";;;;;;;1.94;;0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM421372;MM421372;N#CCCC#CC1CC1O;LCGIJAVGLLBQSI-UHFFFAOYSA-N;135.17;0.67;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP1_N0";;;;;;;0.34;;-1.53;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM421373;MM421373;N=CN1C=CC2(F)CC2N1;MCLSWNRJZLPJEN-UHFFFAOYSA-N;141.15;0.41;;;;;DOPC;MDCG;27;1;"MARTINI bead: SC5_SP2";;;;;;;0.54;;-3.32;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM421374;MM421374;C=CCC1NC1C1(N)CC1;PRJCKJMIKPPVHY-UHFFFAOYSA-N;138.21;0.39;;;;;DOPC;MDCG;27;1;"MARTINI bead: SP1_SNd";;;;;;;0.04;;-4.7;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM421375;MM421375;C#CC(C#N)C(C)=CC#N;SXUPMBJUGVZAKC-UHFFFAOYSA-N;130.15;1.23;;;;;DOPC;MDCG;27;0;"MARTINI bead: N0_N0";;;;;;;1.47;;-0.04;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM421376;MM421376;C#CC(=CC)N=CNC=N;KIDZQYKHXNRLEK-UHFFFAOYSA-N;135.17;0.75;;;;;DOPC;MDCG;27;1;"MARTINI bead: C4_P3";;;;;;;0.23;;-2.5;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM421377;MM421377;CC#Cc1coc(C=O)n1;FWUWSWUJKUOCEF-UHFFFAOYSA-N;135.12;0.86;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC5_SP1";;;;;;;0.81;;-0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM421378;MM421378;C#CCCC#CC1CC1C;PBIKYUSMJGCUFZ-UHFFFAOYSA-N;132.21;2.06;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC5_C5";;;;;;;2.41;;0.64;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM421379;MM421379;O=CN1C=CC2(F)CC2N1;FEGFPIOPMMCVGZ-UHFFFAOYSA-N;142.13;-0.04;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC5_SP1";;;;;;;0.81;;-0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM421380;MM421380;C=CCC1NC1C1(F)CC1;WDOUBMVGOYMAAY-UHFFFAOYSA-N;141.19;1.41;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNa_SNd";;;;;;;0.87;;-1.88;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM421381;MM421381;C#CC(C#N)C(N)=CC#N;RJDDOUDOAZDLEZ-UHFFFAOYSA-N;131.14;0.13;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_N0";;;;;;;0.34;;-1.53;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM421382;MM421382;C#CC(=CC)N=CNC=O;IOMJBONAUDTBKS-UHFFFAOYSA-N;136.15;0.3;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4_P3";;;;;;;0.23;;-1.03;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM421383;MM421383;CC#Cc1coc(C#N)n1;LBLKELKSECALGT-UHFFFAOYSA-N;132.12;0.92;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC5_SN0";;;;;;;1.94;;0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM421384;MM421384;C#CCCC#CC1CC1N;RVJGNRNFRBUICP-UHFFFAOYSA-N;133.19;0.75;;;;;DOPC;MDCG;27;1;"MARTINI bead: SP1_C5";;;;;;;0.81;;-2.75;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM421385;MM421385;C=CCC1OC1C1(C)CC1;XMZQNUNYLPKXOH-UHFFFAOYSA-N;138.21;2.13;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC5_SNa";;;;;;;1.64;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM421386;MM421386;O=CN1C=CC2(O)CC2O1;NVPHOSWRXJIBGT-UHFFFAOYSA-N;141.13;-0.59;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNda_SNa";;;;;;;0.87;;-1.99;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM421387;MM421387;C#CC(=CF)N=CNC=O;SARRMCKTEZUUPQ-UHFFFAOYSA-N;140.12;0.2;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_P3";;;;;;;-0.33;;-2.01;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM421388;MM421388;C#CC(C=C)C(F)=CC=C;XZKHKSCBXUBDCZ-UHFFFAOYSA-N;136.17;2.46;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4_C5";;;;;;;2.97;;0.45;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM421389;MM421389;C=Cc1nc(C#CC)no1;RYXRZYLOYPHIEU-UHFFFAOYSA-N;134.14;1.08;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNa_SP1";;;;;;;0.04;;-2.54;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM421390;MM421390;C#CCCC#CC1CC1O;IGKNRGAHOOVYRA-UHFFFAOYSA-N;134.18;0.78;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP1_C5";;;;;;;0.81;;-0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM421391;MM421391;CC1(C2OC2CC=O)CC1;OJAZMCTYBJPSBW-UHFFFAOYSA-N;140.18;1.14;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC5_SP1";;;;;;;0.81;;-0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM421392;MM421392;CC=C1C=CC2(C)CC2C1;FBIUDWAPYRKPJU-UHFFFAOYSA-N;134.22;2.92;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC2_SC3";;;;;;;4.53;;0.32;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM421393;MM421393;C#CC(=NO)NC=CC=C;UFCHTYPCXYUJPF-UHFFFAOYSA-N;136.15;0.7;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_C4";;;;;;;1.09;;-0.38;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM421394;MM421394;CC#Cc1noc(C=O)n1;XPCDVCOJLTYEAJ-UHFFFAOYSA-N;136.11;0.25;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNa_SP1";;;;;;;0.04;;-2.54;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM421395;MM421395;C#CC(C=C)C(F)=CC=O;MVJDPPFODUFUEH-UHFFFAOYSA-N;138.14;1.47;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_C5";;;;;;;1.64;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM421396;MM421396;C#CCCC#CC1NC1C;OUHWMDRYGQUDSY-UHFFFAOYSA-N;133.19;0.76;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP1_C5";;;;;;;0.81;;-0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM421397;MM421397;CC12C=CC(=CF)CC1C2;SEUWPJBOFJHZLW-UHFFFAOYSA-N;138.19;2.83;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC4_SC4";;;;;;;3.53;;0.53;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM421398;MM421398;CC1(C2OC2CC#N)CC1;WOOFFUCXPHKQRW-UHFFFAOYSA-N;137.18;1.47;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC5_SNa";;;;;;;1.64;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM421399;MM421399;C#CC(=NO)NC=CC=O;OAAGRNDJSUPRRW-UHFFFAOYSA-N;138.13;-0.29;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_Na";;;;;;;-0.24;;-3.24;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM421400;MM421400;CC#Cc1noc(C#N)n1;HNANMFDFAKYKSK-UHFFFAOYSA-N;133.11;0.31;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNa_SP1";;;;;;;0.04;;-2.54;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM421401;MM421401;C#CC(C=O)C(F)=CC=C;SCDRIFLASVDQIG-UHFFFAOYSA-N;138.14;1.47;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4_Na";;;;;;;2.2;;0.34;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM421402;MM421402;C#CCCC#CC1CN1C;BTNDBZDWLPKBTC-UHFFFAOYSA-N;133.19;0.72;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP1_C5";;;;;;;0.81;;-0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM421403;MM421403;CC=C1C=CC2(N)CC2C1;MGYWIZYPIJWNDG-UHFFFAOYSA-N;135.21;1.61;;;;;DOPC;MDCG;27;1;"MARTINI bead: SC2_SNd";;;;;;;2.83;;-0.31;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM421404;MM421404;C=CCC1OC1C1(N)CC1;BAKWXXFONSPYTB-UHFFFAOYSA-N;139.2;0.82;;;;;DOPC;MDCG;27;1;"MARTINI bead: SP1_SNa";;;;;;;0.04;;-4.65;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM421405;MM421405;C#CC(=NO)NC=CC#N;CBFPTOMTZJLVDT-UHFFFAOYSA-N;135.13;0.03;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_N0";;;;;;;0.06;;-2.21;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM421406;MM421406;C#CC1=CC(C#CC)=CC1;BYMGTTZVBSLWOZ-UHFFFAOYSA-N;128.17;1.9;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC4_SC5";;;;;;;2.97;;0.45;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM421407;MM421407;CC=CCC#CC1CC1C;MCJUFOGXZGEPJA-UHFFFAOYSA-N;134.22;2.61;;;;;DOPC;MDCG;27;0;"MARTINI bead: C3_SC5";;;;;;;3.34;;0.48;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM421408;MM421408;C#CC(C=O)C(F)=CC#N;QAINOFKXGODPSR-UHFFFAOYSA-N;137.11;0.81;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_Na";;;;;;;0.87;;-2.22;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM421409;MM421409;C=CCC1OC1C1(O)CC1;YKWTZKMVGQGJOC-UHFFFAOYSA-N;140.18;0.85;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP1_SNa";;;;;;;0.04;;-2.54;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM421410;MM421410;NC12C=CC(=CF)CC1C2;LOTGEORSFIWZSI-UHFFFAOYSA-N;139.17;1.52;;;;;DOPC;MDCG;27;1;"MARTINI bead: SNd_SC4";;;;;;;2.2;;-1.75;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM421411;MM421411;C#CC(N=CNC=N)=NC;IABJJPZDRHAMHF-UHFFFAOYSA-N;136.16;-0.13;;;;;DOPC;MDCG;27;1;"MARTINI bead: N0_P4";;;;;;;-0.88;;-4.93;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM421412;MM421412;C#Cc1cc(C#CC)c[nH]1;BGOJKYKOFCTPJP-UHFFFAOYSA-N;129.16;1.37;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC5_SNd";;;;;;;1.64;;0.02;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM421413;MM421413;CC=CCC#CC1OC1C;RBWZGGNFBLUYEK-UHFFFAOYSA-N;136.19;1.74;;;;;DOPC;MDCG;27;0;"MARTINI bead: C3_SNa";;;;;;;2.57;;0.45;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM421414;MM421414;C#CC(C#N)C(F)=CC=O;ZYDWJTZTOJNAHG-UHFFFAOYSA-N;137.11;0.81;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_N0";;;;;;;1.17;;-1.18;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM421415;MM421415;C#CC(N=CNC=N)=NN;MNSINWBXJBOQPT-UHFFFAOYSA-N;137.15;-0.88;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_P3";;;;;;;-1.1;;-5.11;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM421416;MM421416;NN=c1nccnn1N;PLROGWGDSYWQKN-UHFFFAOYSA-N;126.12;-2.23;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP3_SP2";;;;;;;-2.2;;-5.19;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM421417;MM421417;N#CCC1OC1C1(O)CC1;VNDTTZIRQOGNLU-UHFFFAOYSA-N;139.15;0.19;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP1_SNa";;;;;;;0.04;;-2.54;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM421418;MM421418;C#Cc1cc(C#CC)co1;CTCCESFZUDRCTK-UHFFFAOYSA-N;130.15;1.63;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC5_SN0";;;;;;;1.94;;0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM421419;MM421419;CC#CCC#CC1CC1N;DIGLVTHAGPOCHK-UHFFFAOYSA-N;133.19;0.75;;;;;DOPC;MDCG;27;1;"MARTINI bead: C3_SP1";;;;;;;1.74;;-1.58;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM421420;MM421420;C#CC(C=C)C(C)=NN=C;FQUYOPHKZPHWQI-UHFFFAOYSA-N;134.18;1.5;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_C5";;;;;;;2.41;;0.64;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM421421;MM421421;C#CC(N=CNC=O)=NN;BJBSWSPCJGWVLZ-UHFFFAOYSA-N;138.13;-1.33;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nd_P3";;;;;;;-1.1;;-3.93;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM421422;MM421422;C=CCC1OC1C1(C)CO1;UALFNZAODDTYCX-UHFFFAOYSA-N;140.18;1.12;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNa_SNa";;;;;;;0.87;;-2.22;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM421423;MM421423;NN=c1ncnnn1N;TUMKBPSWAXTQBM-UHFFFAOYSA-N;127.11;-2.84;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP3_SP3";;;;;;;-3.07;;-6.15;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM421424;MM421424;C#CCNC=NC(=N)C=O;NBMZQPMQOZEOKS-UHFFFAOYSA-N;137.14;-0.59;;;;;DOPC;MDCG;27;0;"MARTINI bead: P3_N0";;;;;;;-0.8;;-2.99;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM421425;MM421425;C#Cc1cc(C#CC)n[nH]1;YSWOBJHGKJWJIA-UHFFFAOYSA-N;130.15;0.76;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNda_SNd";;;;;;;0.87;;-1.92;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM421426;MM421426;CCC=CC#CC1CC1C;SECREZZUXUZPSK-UHFFFAOYSA-N;134.22;2.61;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1_SC5";;;;;;;3.68;;0.46;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM421427;MM421427;FC=C1C=CC2(F)CC2C1;SRRPIDYPWHNQDA-UHFFFAOYSA-N;142.15;2.53;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC4_SC4";;;;;;;3.53;;0.53;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM421429;MM421429;C#CC(N=CNC=N)=NO;BUJBDPFHUYPYKU-UHFFFAOYSA-N;138.13;-0.37;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nda_P3";;;;;;;-1.1;;-4.99;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM421428;MM421428;CC1(C2OC2CC#N)CO1;MOLZIWHRISWSBY-UHFFFAOYSA-N;139.15;0.46;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNa_SNa";;;;;;;0.87;;-2.22;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM421430;MM421430;C#CC(C#N)C(C)=NN=C;CJYIVQDSWQFVLT-UHFFFAOYSA-N;133.15;0.84;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_N0";;;;;;;1.94;;0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM421431;MM421431;C#Cc1cc(C#CC)no1;TUQRMDLDCGEZJI-UHFFFAOYSA-N;131.13;1.03;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC5_SN0";;;;;;;1.94;;0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM421432;MM421432;CC1CC1C#CC=CC#N;VPSRFLALCKWVDK-UHFFFAOYSA-N;131.18;1.73;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC5_N0";;;;;;;1.94;;0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM421433;MM421433;CC12C=CC(=NN)CC1C2;PNTYZNINTRYPHY-UHFFFAOYSA-N;136.2;1.29;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC4_SNd";;;;;;;2.2;;0.32;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM421434;MM421434;CC1(C2CN2CC#N)CC1;AHKGRZXYPPTPPT-UHFFFAOYSA-N;136.2;0.99;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC5_SP1";;;;;;;0.81;;-0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM421435;MM421435;C#CC=C(F)C(C#C)C=C;LWYKMDDFVRMCGH-UHFFFAOYSA-N;134.15;1.91;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_C5";;;;;;;2.41;;0.64;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM421436;MM421436;C#Cc1nc(C#CC)co1;RWMMMCAHCPOOKU-UHFFFAOYSA-N;131.13;1.03;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC5_SN0";;;;;;;1.94;;0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM421437;MM421437;C#CC(N=CNC=O)=NO;XJASFPXAYYXGGB-UHFFFAOYSA-N;139.11;-0.82;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda_P3";;;;;;;-1.1;;-3.97;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM421438;MM421438;Cn1ncnnc1=NN;ZLVPGRKIERCXNX-UHFFFAOYSA-N;126.12;-2.02;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP3_SP3";;;;;;;-3.07;;-6.15;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM421439;MM421439;C=CC=CC#CC1CC1N;VBIIBBDYOLCIQL-UHFFFAOYSA-N;133.19;1.08;;;;;DOPC;MDCG;27;1;"MARTINI bead: SP1_C4";;;;;;;1.37;;-2.16;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM421440;MM421440;C=CCN1CC1C1(C)CO1;QQCAZGFPLBRYQO-UHFFFAOYSA-N;139.2;0.65;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNa_SNd";;;;;;;0.87;;-1.88;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM421441;MM421441;C#CC(C#C)C(C)=CCC;GQAYECICHOKEPF-UHFFFAOYSA-N;132.21;2.23;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1_N0";;;;;;;3.21;;0.46;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM421442;MM421442;CC#CC1CC(O)(CC)C1;GJCHJIIMBBELLI-UHFFFAOYSA-N;138.21;1.56;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNda_SC3";;;;;;;2.57;;0.44;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM421443;MM421443;C#Cc1nc(C#CC)no1;JTAHMHYBERNTLG-UHFFFAOYSA-N;132.12;0.42;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNa_SP1";;;;;;;0.04;;-2.54;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM421444;MM421444;C=CC=CC#CC1CC1O;MULBCLLUXDHXOP-UHFFFAOYSA-N;134.18;1.11;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP1_C4";;;;;;;1.37;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM421445;MM421445;C#CCC(C)CC(C)(C)O;DTEWVZYEEXNIHN-UHFFFAOYSA-N;140.23;1.81;;;;;DOPC;MDCG;27;0;"MARTINI bead: C3_Nda";;;;;;;2.57;;0.44;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM421446;MM421446;CC1(C2CN2CC#N)CO1;HCGHZANVBIWPQD-UHFFFAOYSA-N;138.17;-0.02;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNa_SP1";;;;;;;0.04;;-2.54;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM421447;MM421447;C#CC(C#C)C(F)=CCO;AKMBOVFCCGIQEF-UHFFFAOYSA-N;138.14;0.71;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda_N0";;;;;;;1.17;;-1.13;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM421448;MM421448;CCCCCC(O)CCC;IXUOEGRSQCCEHB-UHFFFAOYSA-N;144.26;2.73;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1_Nda";;;;;;;2.91;;0.57;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM421449;MM421449;CCCC1=CC(CC)CC1;APUJXHQXJQPKGF-UHFFFAOYSA-N;138.25;3.53;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC1_SC2";;;;;;;4.87;;0.53;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM421450;MM421450;C=CC=CC#CC1CC1F;LDQSSACQNDLJJX-UHFFFAOYSA-N;136.17;2.09;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNa_C4";;;;;;;2.2;;0.34;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM421451;MM421451;ON=C1C=CC2(O)CC2C1;AHCGHQKVJKKCPJ-UHFFFAOYSA-N;139.15;0.53;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNda_SNda";;;;;;;0.87;;-2.07;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM421452;MM421452;C#CCC1CC1C1(C)CC1;RUHAMTORQZRMLG-UHFFFAOYSA-N;134.22;2.45;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC5_SC4";;;;;;;2.97;;0.45;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM421453;MM421453;C#CC(C#C)C(F)=COC;HQEZFZLOXGFTKS-UHFFFAOYSA-N;138.14;1.33;;;;;DOPC;MDCG;27;0;"MARTINI bead: N0_N0";;;;;;;1.47;;-0.05;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM421454;MM421454;C#CC(=CC)OC=CC=C;TZFGZTCGAVWQLU-UHFFFAOYSA-N;134.18;2.24;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_C4";;;;;;;2.2;;0.34;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM421455;MM421455;C=CC=CC#CC1NC1C;AWFCEINNZQZQNB-UHFFFAOYSA-N;133.19;1.09;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP1_C4";;;;;;;1.37;;-0.05;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM421456;MM421456;CCC1C=C(CCN)CC1;ZJCDGOIWUUYJFO-UHFFFAOYSA-N;139.24;2.08;;;;;DOPC;MDCG;27;1;"MARTINI bead: SC2_SNd";;;;;;;2.83;;-0.71;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM421457;MM421457;NN=C1C=CC2(F)CC2C1;HCGIMHOZODWHGR-UHFFFAOYSA-N;140.16;0.99;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNd_SC4";;;;;;;2.2;;0.32;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM421458;MM421458;C=CC1C=CC(C)C1O;FVVPXLSJWXCBIQ-UHFFFAOYSA-N;124.18;1.36;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC4_SNda";;;;;;;2.2;;0.49;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM421460;MM421460;C#CC(=CC)OC=CC=O;CMKXPDYLABFULX-UHFFFAOYSA-N;136.15;1.25;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_Na";;;;;;;0.87;;-2.22;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM421459;MM421459;C#CC(C#C)C(C)=NOC;BZQBCMQJBPDHJQ-UHFFFAOYSA-N;135.17;0.89;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_N0";;;;;;;1.17;;-1.18;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM421461;MM421461;C=CC=CC#CC1OC1C;MUQZNSBFJRKYCA-UHFFFAOYSA-N;134.18;1.52;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNa_C4";;;;;;;2.2;;0.34;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM421462;MM421462;CCCC1=CC(CN)CC1;BRGVKVFAXHAWNZ-UHFFFAOYSA-N;139.24;2.08;;;;;DOPC;MDCG;27;1;"MARTINI bead: SC1_SNd";;;;;;;2.91;;-0.53;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM421463;MM421463;ON=C1C=CC2(F)CC2C1;AODZANABEFCGDE-UHFFFAOYSA-N;141.15;1.5;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNda_SC4";;;;;;;2.2;;0.49;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM421464;MM421464;C#CCC1CC1C1(F)CC1;AHHZZAGKYVXFLO-UHFFFAOYSA-N;138.19;2.15;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNa_SC4";;;;;;;2.2;;0.34;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM421465;MM421465;C#CC(C#C)C(C)=CC=C;PNLSSBDPBGJRSE-UHFFFAOYSA-N;130.19;2;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1_N0";;;;;;;3.21;;0.46;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM421466;MM421466;C#CC(=CC)OC=CC#N;WWWMQJVBJJDOHT-UHFFFAOYSA-N;133.15;1.58;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4_P1";;;;;;;1.37;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM421467;MM421467;CC1OC1C#CC=CC#N;YTNKPHBPOAUZCY-UHFFFAOYSA-N;133.15;0.86;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNa_N0";;;;;;;1.17;;-1.18;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM421468;MM421468;COC(OC=NN)C(C)F;ACBGXFRLERMLNF-UHFFFAOYSA-N;150.15;0.24;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_C5";;;;;;;0.54;;-1.09;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM421469;MM421469;C#CCC1CC1C1(C)CO1;ZTHIAFDBYVRNJL-UHFFFAOYSA-N;136.19;1.43;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNa_SC4";;;;;;;2.2;;0.34;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM421470;MM421470;CN=C1C=CC2(C)CC2N1;NNTAHNZLCXCEFV-UHFFFAOYSA-N;136.2;0.95;;;;;DOPC;MDCG;27;1;"MARTINI bead: SNd_SN0";;;;;;;1.17;;-4.55;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM421471;MM421471;C#CC(C#C)C(C)=CC=O;CGDRAMNZCSZHDL-UHFFFAOYSA-N;132.16;1.01;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_N0";;;;;;;1.17;;-1.18;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM421472;MM421472;C#CC(=CF)OC=CC=C;WKQOPBFKNQVSAU-UHFFFAOYSA-N;138.14;2.15;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_Na";;;;;;;1.64;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM421473;MM421473;C#CC=CC#CC1CC1C;GRQFOQQKWXLGHM-UHFFFAOYSA-N;130.19;1.84;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC5_C4";;;;;;;2.97;;0.45;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM421474;MM421474;NCCC1=CC(CO)CC1;ODRBJSOEACGYQR-UHFFFAOYSA-N;141.21;0.66;;;;;DOPC;MDCG;27;1;"MARTINI bead: SNd_SNda";;;;;;;0.87;;-4.68;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM421475;MM421475;C#CCC1NC1C1(N)CC1;MVTDKKRYHZWHMK-UHFFFAOYSA-N;136.2;-0.16;;;;;DOPC;MDCG;27;1;"MARTINI bead: SP1_SP1";;;;;;;-0.79;;-5.2;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM421476;MM421476;CN=C1C=CC2(N)CC2N1;PFMRSZLBOXTKHQ-UHFFFAOYSA-N;137.19;-0.36;;;;;DOPC;MDCG;27;1;"MARTINI bead: SNd_SP2";;;;;;;-0.24;;-6.19;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM421477;MM421477;C#CC(C#C)C(F)=CC=C;BNLVKCBCCUCSDO-UHFFFAOYSA-N;134.15;1.91;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4_N0";;;;;;;2.5;;0.44;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM421478;MM421478;C#CC(=CF)OC=CC=O;PWCLCUCAHRBLEK-UHFFFAOYSA-N;140.11;1.16;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_Na";;;;;;;0.87;;-2.22;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM421479;MM421479;CCCC1=CC(CF)CC1;BXUNCMZVOZTTTN-UHFFFAOYSA-N;142.22;3.09;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC1_SC5";;;;;;;3.68;;0.46;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM421480;MM421480;C#CC=CC#CC1CC1N;VPSYZTFGKFHGOE-UHFFFAOYSA-N;131.18;0.53;;;;;DOPC;MDCG;27;1;"MARTINI bead: SP1_C4";;;;;;;1.37;;-2.16;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM421481;MM421481;C#CCC1OC1C1(C)CC1;FDRWYJDHSFGSFE-UHFFFAOYSA-N;136.19;1.58;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC5_SNa";;;;;;;1.64;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM421482;MM421482;CN=C1C=CC2(O)CC2N1;VYTVNTOJUTYBAL-UHFFFAOYSA-N;138.17;-0.32;;;;;DOPC;MDCG;27;1;"MARTINI bead: SNd_SP1";;;;;;;0.04;;-5.29;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM421483;MM421483;C#CC(C#C)C(C)=NN=C;DPXJCEFOLFJAKO-UHFFFAOYSA-N;132.17;0.95;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_N0";;;;;;;1.94;;0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM421484;MM421484;C#CC(=CF)OC=CC#N;DBCPUGCBORZQKP-UHFFFAOYSA-N;137.11;1.48;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_N0";;;;;;;1.17;;-1.18;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM421485;MM421485;C#CC=CC#CC1NC1C;GNSRZLNRCRHGFE-UHFFFAOYSA-N;131.18;0.54;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP1_C4";;;;;;;1.37;;-0.05;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM421486;MM421486;CCC1C=C(CNC)CC1;LCHQCEXMSZONHN-UHFFFAOYSA-N;139.24;1.95;;;;;DOPC;MDCG;27;1;"MARTINI bead: SC2_SNd";;;;;;;2.83;;-0.41;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM421487;MM421487;C=C(C)C1(O)CC(C)(C)C1;NJWLXDDLSROHES-UHFFFAOYSA-N;140.23;2.11;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNda_SC3";;;;;;;2.57;;0.44;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM421488;MM421488;C#CCC1OC1C1(N)CC1;PQMJGYWWNQSPEQ-UHFFFAOYSA-N;137.18;0.27;;;;;DOPC;MDCG;27;1;"MARTINI bead: SP1_SNa";;;;;;;0.04;;-4.65;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM421489;MM421489;CCC(=CF)C(C)=CCN;GEDQBHVLONECOD-UHFFFAOYSA-N;143.21;2.15;;;;;DOPC;MDCG;27;1;"MARTINI bead: C3_Nd";;;;;;;2.57;;-0.96;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM421490;MM421490;C#CC(=CC)OC=NN=C;PWMXCXMFEFBGTC-UHFFFAOYSA-N;136.15;1.18;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_N0";;;;;;;1.17;;-1.18;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM421491;MM421491;CN=C1C=CC2(F)CC2N1;PZAPSLRTPGGQLC-UHFFFAOYSA-N;140.16;0.65;;;;;DOPC;MDCG;27;1;"MARTINI bead: SNd_SNa";;;;;;;0.87;;-4.37;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM421492;MM421492;CCCC1=CC(NC)CC1;FXTDULBIVLBNIO-UHFFFAOYSA-N;139.24;2.09;;;;;DOPC;MDCG;27;1;"MARTINI bead: SC1_SNd";;;;;;;2.91;;-0.22;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM421493;MM421493;C#CC=CC#CC1OC1C;WSWGOTQYVWPMLN-UHFFFAOYSA-N;132.16;0.97;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNa_C4";;;;;;;2.2;;0.34;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM421494;MM421494;C#CCC1OC1C1(O)CC1;GQBKYZDHPOOCLX-UHFFFAOYSA-N;138.17;0.3;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP1_SNa";;;;;;;0.04;;-2.54;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM421495;MM421495;C#CC(=CF)OC=NN=C;SFNBOFKPWLKNBM-UHFFFAOYSA-N;140.12;1.09;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_N0";;;;;;;1.17;;-1.18;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM421496;MM421496;CC=C(CN)C(C)=CCC;GYNOBPUDIVRSSL-UHFFFAOYSA-N;139.24;2.25;;;;;DOPC;MDCG;27;1;"MARTINI bead: C1_Nd";;;;;;;2.91;;-0.04;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM421497;MM421497;ON=C1C=CC2(F)CC2N1;SNLZQRPEIVBVIY-UHFFFAOYSA-N;142.13;0.41;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNda_SNa";;;;;;;0.87;;-1.99;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM421498;MM421498;C#CC=CC#CC1CN1C;JNEVXXQXFBBRKF-UHFFFAOYSA-N;131.18;0.49;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP1_C4";;;;;;;1.37;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM421499;MM421499;CNC1C=C(CCN)CC1;RMFKZSIBNIRGCK-UHFFFAOYSA-N;140.23;0.64;;;;;DOPC;MDCG;27;1;"MARTINI bead: SNd_SNd";;;;;;;0.87;;-5.04;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM421500;MM421500;C#CCC1OC1C1(C)CO1;GNHBMOKSVPCDGG-UHFFFAOYSA-N;138.17;0.57;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNa_SNa";;;;;;;0.87;;-2.22;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM421501;MM421501;CC=C(CN)C(C)=CCN;APAUGDCBTQXZHE-UHFFFAOYSA-N;140.23;0.8;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_Nd";;;;;;;0.87;;-4.63;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM421502;MM421502;C=CCCCC(O)CC=C;IVCRQUXBIQDPRL-UHFFFAOYSA-N;140.23;2.28;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_C3";;;;;;;3.34;;0.48;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM421503;MM421503;CC=C1C=CC2(C)CC2O1;DSZGIYRPBGOUQD-UHFFFAOYSA-N;136.19;2.26;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC5_SN0";;;;;;;1.94;;0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM421504;MM421504;CCC#CC#CC1CC1C;IQNIGXWVDWLIFG-UHFFFAOYSA-N;132.21;2.06;;;;;DOPC;MDCG;27;0;"MARTINI bead: C3_SC5";;;;;;;3.34;;0.48;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM421505;MM421505;CCCC1=CC(OC)CC1;WCBZKPRKUWJXAF-UHFFFAOYSA-N;140.23;2.52;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC1_SNa";;;;;;;2.91;;0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM421506;MM421506;C#CCN1CC1C1(C)CC1;WRWXOQAYVJRYRF-UHFFFAOYSA-N;135.21;1.1;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC5_SNd";;;;;;;1.64;;0.03;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM421507;MM421507;CC=C(CN)C(C)=CCF;LDDGIMLGEYXUAX-UHFFFAOYSA-N;143.21;1.81;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_C4";;;;;;;2.2;;-1.62;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM421508;MM421508;C#CC(=NO)OC=CC=C;WRBLVJAITGSCFA-UHFFFAOYSA-N;137.14;1.12;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_C4";;;;;;;1.09;;-0.37;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM421509;MM421509;CC=C1C=CC2(N)CC2O1;GJSORNODQANVAX-UHFFFAOYSA-N;137.18;0.95;;;;;DOPC;MDCG;27;1;"MARTINI bead: SC5_SP1";;;;;;;0.81;;-2.01;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM421510;MM421510;CC1CC1C#CC#CCN;WSEKUPBCBAGHGX-UHFFFAOYSA-N;133.19;0.61;;;;;DOPC;MDCG;27;1;"MARTINI bead: SC5_Nd";;;;;;;1.64;;-1.1;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM421511;MM421511;CCCC1=CC(CC)NC1;IJZQTSUMVXUIRL-UHFFFAOYSA-N;139.24;2.09;;;;;DOPC;MDCG;27;1;"MARTINI bead: SN0_SNd";;;;;;;1.17;;-4.58;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM421512;MM421512;CC(=CCF)C(=CF)CN;BZOVSZVGQSPEBO-UHFFFAOYSA-N;147.17;1.71;;;;;DOPC;MDCG;27;1;"MARTINI bead: C4_P1";;;;;;;1.37;;-2.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM421513;MM421513;C#CC=CCC(C#C)=CC;SKISUZOBLZKMPK-UHFFFAOYSA-N;130.19;2.15;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4_C4";;;;;;;3.53;;0.53;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM421514;MM421514;C#CCN1CC1C1(N)CC1;JAXLWWWCKAVGKU-UHFFFAOYSA-N;136.2;-0.2;;;;;DOPC;MDCG;27;1;"MARTINI bead: SP1_SNd";;;;;;;0.04;;-4.7;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM421515;MM421515;CC=C1C=CC2(O)CC2O1;SXONITZGDOBZHZ-UHFFFAOYSA-N;138.17;0.98;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC5_SP1";;;;;;;0.81;;-0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM421516;MM421516;CC1CC1C#CC#CCO;NCIAFKNLFGSTKB-UHFFFAOYSA-N;134.18;0.64;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC5_Nda";;;;;;;1.64;;0.05;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM421517;MM421517;CNC(C=NN)C(=O)OC;NHSOYYNSOFXFKN-UHFFFAOYSA-N;145.16;-1.31;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_P1";;;;;;;-1.06;;-3.82;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM421518;MM421518;CCCC1=CC(CN)NC1;CQFBTTVEJOQPIT-UHFFFAOYSA-N;140.23;0.64;;;;;DOPC;MDCG;27;1;"MARTINI bead: SN0_SP2";;;;;;;0.06;;-5.18;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM421519;MM421519;CCC1(C)C(C)C1C1CC1;IXGGYGIWMOKKGR-UHFFFAOYSA-N;138.25;3.08;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC3_SC5";;;;;;;3.34;;0.48;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM421520;MM421520;C#CC=CCC(C#C)=CF;DNHSOMJBHWIVMG-UHFFFAOYSA-N;134.15;2.05;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_C4";;;;;;;2.97;;0.45;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM421521;MM421521;OC12C=CC(=CF)OC1C2;YSRGWSFAMWDXMI-UHFFFAOYSA-N;142.13;0.89;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNda_SNa";;;;;;;0.87;;-1.99;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM421522;MM421522;CC1CC1C#CC#CCF;SVOJOYUIKDJCGI-UHFFFAOYSA-N;136.17;1.62;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC5_C5";;;;;;;2.41;;0.64;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM421523;MM421523;CC=C(CC)C(F)=CCN;GNQCVXSWOJJXMC-UHFFFAOYSA-N;143.21;2.15;;;;;DOPC;MDCG;27;1;"MARTINI bead: C1_P1";;;;;;;2.08;;-0.56;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM421524;MM421524;CCCC1=CC(CO)NC1;KEBWZHYJHZWXPI-UHFFFAOYSA-N;141.21;0.68;;;;;DOPC;MDCG;27;1;"MARTINI bead: SN0_SP1";;;;;;;0.34;;-4.34;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM421525;MM421525;CCC1(C)C(N)C1C1CC1;LDKZYFPEQBMMOR-UHFFFAOYSA-N;139.24;1.77;;;;;DOPC;MDCG;27;1;"MARTINI bead: SNd_SC5";;;;;;;1.64;;-2.24;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM421526;MM421526;C#CC=CCC(C#C)=NN;VWBFCIPIRUKUJV-UHFFFAOYSA-N;132.17;0.51;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nd_N0";;;;;;;1.17;;-1.04;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM421527;MM421527;CC=C1C=CC2(F)CC2O1;ZTZCMCQUBCMJIE-UHFFFAOYSA-N;140.16;1.96;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC5_SNa";;;;;;;1.64;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM421528;MM421528;CCC#CC#CC1CC1N;BJNWSLIMJASQJL-UHFFFAOYSA-N;133.19;0.75;;;;;DOPC;MDCG;27;1;"MARTINI bead: C2_SP1";;;;;;;2;;-0.81;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM421529;MM421529;NCCC1=CC(CO)NC1;LWJURVBARWMQES-UHFFFAOYSA-N;142.2;-0.77;;;;;DOPC;MDCG;27;1;"MARTINI bead: SP2_SP1";;;;;;;-1.06;;-6.87;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM421530;MM421530;CC=C(CN)C(F)=CCF;CEXBLWWJFPTXEF-UHFFFAOYSA-N;147.17;1.71;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_C5";;;;;;;1.64;;-2.01;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM421531;MM421531;CC1(CN)C(N)C1C1CC1;XIJGCBZAQYCGPR-UHFFFAOYSA-N;140.23;0.32;;;;;DOPC;MDCG;27;1;"MARTINI bead: SP2_SC5";;;;;;;0.54;;-3.46;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM421532;MM421532;C#CC=CCC(C#C)=NO;KATHHNLEFANWRD-UHFFFAOYSA-N;133.15;1.03;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda_N0";;;;;;;1.17;;-1.13;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM421533;MM421533;FC=C1C=CC2(F)CC2O1;BFZCJSURIOKKNW-UHFFFAOYSA-N;144.12;1.86;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNa_SNa";;;;;;;0.87;;-2.22;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM421534;MM421534;NCC#CC#CC1CC1N;WSAPLTYFMMUITE-UHFFFAOYSA-N;134.18;-0.7;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_SP1";;;;;;;0.04;;-4.84;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM421535;MM421535;CCCC1=CC(CF)NC1;KZINJTNMRYIEGG-UHFFFAOYSA-N;143.21;1.65;;;;;DOPC;MDCG;27;1;"MARTINI bead: SN0_SNda";;;;;;;1.17;;-2.99;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM421536;MM421536;COC=C(F)C(=CF)CO;OOBVHJKJVKDKRJ-UHFFFAOYSA-N;150.12;1.29;;;;;DOPC;MDCG;27;0;"MARTINI bead: N0_Nda";;;;;;;1.17;;-1.13;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM421537;MM421537;CC1(CO)C(O)C1C1CC1;GTSHSNPJQVLZCS-UHFFFAOYSA-N;142.2;0.39;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP1_SC5";;;;;;;0.81;;-0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM421538;MM421538;C#CC=CNC(C#C)=NO;FHEAVJVWRXCTSB-UHFFFAOYSA-N;134.14;0.14;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_N0";;;;;;;0.34;;-1.53;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM421539;MM421539;CCC#CC#CC1CC1O;YLPCYTYYOYTMSK-UHFFFAOYSA-N;134.18;0.78;;;;;DOPC;MDCG;27;0;"MARTINI bead: C2_SP1";;;;;;;2;;0.29;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM421540;MM421540;C#CC(CC=C)C(C)(C)O;HGVXMDVVAGECCS-UHFFFAOYSA-N;138.21;1.58;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda_C3";;;;;;;2.57;;0.44;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM421541;MM421541;CCCC1=CC(CC)OC1;SGYVWBHYPRZQTG-UHFFFAOYSA-N;140.23;2.52;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC5_SNa";;;;;;;1.64;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM421542;MM421542;CCC1(N)C(C)C1C1CC1;CTFYHZKEMFTEAB-UHFFFAOYSA-N;139.24;1.77;;;;;DOPC;MDCG;27;1;"MARTINI bead: SNd_SC5";;;;;;;1.64;;-2.84;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM421543;MM421543;C#CC=COC(C#C)=CC;FPUQQIFOEWBPKS-UHFFFAOYSA-N;132.16;1.69;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_N0";;;;;;;1.17;;-1.18;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM421544;MM421544;CCC=C(C)C(CC)=NN;PZPWNSJHSAGJKA-UHFFFAOYSA-N;140.23;2.07;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1_Nd";;;;;;;2.91;;0.63;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM421545;MM421545;CCC#CC#CC1NC1C;VPSSEIVTZQZABY-UHFFFAOYSA-N;133.19;0.76;;;;;DOPC;MDCG;27;0;"MARTINI bead: C2_SP1";;;;;;;2;;0.31;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM421546;MM421546;ON=C1C=CC2(O)CC2O1;NBAOYPMHUABHGV-UHFFFAOYSA-N;141.13;-0.14;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNda_SP1";;;;;;;0.04;;-2.73;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM421547;MM421547;CCC1C=C(CCN)CO1;BZKQEAHMDYCONY-UHFFFAOYSA-N;141.21;1.07;;;;;DOPC;MDCG;27;1;"MARTINI bead: SNa_SP1";;;;;;;0.04;;-5.28;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM421548;MM421548;CC1C(C2CC2)C1(N)CN;YTJUMSKFQHYGHT-UHFFFAOYSA-N;140.23;0.32;;;;;DOPC;MDCG;27;1;"MARTINI bead: SC5_SP2";;;;;;;0.54;;-3.46;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM421549;MM421549;C#CC=COC(C#C)=CF;ITLRJIBLOBBNSQ-UHFFFAOYSA-N;136.13;1.59;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_N0";;;;;;;1.17;;-1.18;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM421550;MM421550;CCC(=NN)C(C)=CCF;JTTASXDSJKBRLE-UHFFFAOYSA-N;144.19;1.63;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nd_C4";;;;;;;2.2;;0.32;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM421551;MM421551;CC1NC1C#CC#CCN;GQHNMVOTYJZXEA-UHFFFAOYSA-N;134.18;-0.69;;;;;DOPC;MDCG;27;1;"MARTINI bead: SP1_Nd";;;;;;;0.04;;-3.83;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM421552;MM421552;C#CC(=C)C(C)(C)C(C)O;GBFHCCOQUFIHID-UHFFFAOYSA-N;138.21;1.58;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_C3";;;;;;;1.74;;0.29;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM421553;MM421553;CC1C(C2CC2)C1(O)CN;DCSXZLSREGTYRH-UHFFFAOYSA-N;141.21;0.35;;;;;DOPC;MDCG;27;1;"MARTINI bead: SC5_SP1";;;;;;;0.81;;-2.7;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM421554;MM421554;C#CCOC(=NN)ON=C;OTTIAOYAKNMART-UHFFFAOYSA-N;141.13;-0.5;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_N0";;;;;;;0.34;;-1.53;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM421555;MM421555;CCCC1=CC(CN)OC1;SOCXCEXBRBXQSC-UHFFFAOYSA-N;141.21;1.07;;;;;DOPC;MDCG;27;1;"MARTINI bead: SC5_SP1";;;;;;;0.81;;-2.51;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM421556;MM421556;CCCC(O)CC=CC=O;XEKPVKORUCSPCJ-UHFFFAOYSA-N;142.2;1.29;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_Na";;;;;;;1.64;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM421557;MM421557;CCC#CC#CC1OC1C;KOXZKPVXGRVZIN-UHFFFAOYSA-N;134.18;1.19;;;;;DOPC;MDCG;27;0;"MARTINI bead: C2_SNa";;;;;;;2.83;;0.35;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM421558;MM421558;ON=C1C=CC2(F)CC2O1;FBYABMPVEXSSRF-UHFFFAOYSA-N;143.12;0.84;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNda_SNa";;;;;;;0.87;;-1.99;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM421559;MM421559;CCC(=NO)C(C)=CCF;QTQFNCXDDSVKAL-UHFFFAOYSA-N;145.18;2.14;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda_C4";;;;;;;2.2;;0.49;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM421560;MM421560;CCCC1=CC(CO)OC1;LODSDLQPMLSWKN-UHFFFAOYSA-N;142.2;1.1;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC5_SP1";;;;;;;0.81;;-0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM421561;MM421561;CC1C(C2CC2)C1(O)CO;BKSJZURWKGPASG-UHFFFAOYSA-N;142.2;0.39;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC5_SP1";;;;;;;0.81;;-0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM421562;MM421562;C#CC=COC(C#C)=NO;ADZKMMFRFLFBAL-UHFFFAOYSA-N;135.12;0.57;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda_N0";;;;;;;1.17;;-1.13;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM421563;MM421563;CC1OC1C#CC#CCN;SFPJAZMSZXFUSU-UHFFFAOYSA-N;135.17;-0.26;;;;;DOPC;MDCG;27;1;"MARTINI bead: SNa_Nd";;;;;;;0.87;;-3.07;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM421564;MM421564;CCC=C(C)C(CN)=NO;XNVLQRNBARILDX-UHFFFAOYSA-N;142.2;1.13;;;;;DOPC;MDCG;27;1;"MARTINI bead: C1_P3";;;;;;;0.94;;-1.09;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM421565;MM421565;CCC1CC(C(C)CC)C1;KRKBCHGYAQAJBK-UHFFFAOYSA-N;140.27;3.47;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC2_SC1";;;;;;;4.87;;0.53;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM421566;MM421566;CCCC1=CC(CF)OC1;SYOLTKWNQKLILA-UHFFFAOYSA-N;144.19;2.08;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC5_SNa";;;;;;;1.64;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM421567;MM421567;CCC1(F)C(C)C1C1CC1;YEGXWXNIQZMQJI-UHFFFAOYSA-N;142.22;2.78;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC4_SC5";;;;;;;2.97;;0.45;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM421568;MM421568;CC=C(CC)CC#CCC;ZDVIESMDCQQZCD-UHFFFAOYSA-N;136.24;3.15;;;;;DOPC;MDCG;27;0;"MARTINI bead: C3_C1";;;;;;;4.61;;0.31;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM421569;MM421569;CCC#CC#CC1CN1C;BKYZPQIDPWBCPW-UHFFFAOYSA-N;133.19;0.72;;;;;DOPC;MDCG;27;0;"MARTINI bead: C2_SP1";;;;;;;2;;0.3;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM421570;MM421570;CCC(=NN)C(F)=CCF;SWWIJTUVIUOGFX-UHFFFAOYSA-N;148.16;1.53;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nd_C5";;;;;;;1.64;;0.02;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM421571;MM421571;CCC(C)C1CC(CN)C1;WWUDACRSWZSMHK-UHFFFAOYSA-N;141.26;2.02;;;;;DOPC;MDCG;27;1;"MARTINI bead: SC1_SNd";;;;;;;2.91;;-0.57;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM421572;MM421572;CC1C(C2CC2)C1(F)CF;IFPKZTWCGLVIFD-UHFFFAOYSA-N;146.18;2.34;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC5_SC5";;;;;;;2.41;;0.64;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM421573;MM421573;NCCC1=CC(CF)OC1;ZVNSNQJDRFQEMJ-UHFFFAOYSA-N;145.18;0.63;;;;;DOPC;MDCG;27;1;"MARTINI bead: SP1_SNa";;;;;;;0.04;;-5.28;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM421574;MM421574;CC=C(CC)CC#CCN;OYLXFVOMUVJOPZ-UHFFFAOYSA-N;137.23;1.69;;;;;DOPC;MDCG;27;1;"MARTINI bead: C1_Nd";;;;;;;2.91;;0.39;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM421575;MM421575;C=CC#CC#CC1CC1C;XXEXEDVYJHXKCZ-UHFFFAOYSA-N;130.19;1.84;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC5_C4";;;;;;;2.97;;0.45;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM421576;MM421576;C#Cc1nc(=O)onc1O;SAOBCOIQHXFEDT-UHFFFAOYSA-N;138.08;-0.88;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP3_SP3";;;;;;;-3.07;;-10.2;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM421577;MM421577;CC(=O)CC1N(C)C1(C)C;JKMFTHBXISTUPS-UHFFFAOYSA-N;141.21;1.06;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_SNd";;;;;;;0.04;;-2.63;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM421578;MM421578;CC=C(CC)CC#CCO;LTJYJSNESISQLF-UHFFFAOYSA-N;138.21;1.73;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1_P2";;;;;;;1.8;;0.4;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM421579;MM421579;CC1CC1C#CC#CC=O;VMEFFVXPQUQIKW-UHFFFAOYSA-N;132.16;0.85;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC5_C5";;;;;;;2.41;;0.64;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM421580;MM421580;CCCC1=CC(OC)OC1;ZRUBRJQARXJSDB-UHFFFAOYSA-N;142.2;1.72;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC5_SNa";;;;;;;1.64;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM421581;MM421581;CCC1(C)C(N)C1C1CN1;VPPMTRKJWPQGCM-UHFFFAOYSA-N;140.23;0.33;;;;;DOPC;MDCG;27;1;"MARTINI bead: SNd_SP1";;;;;;;0.04;;-4.65;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM421582;MM421582;C=CCC(C=O)C=NN=C;DHHVXYJOQOBCIB-UHFFFAOYSA-N;138.17;1.06;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_N0";;;;;;;1.17;;-1.18;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM421583;MM421583;CCC(C)C1CC(CF)C1;AKNOVBHRALZIKE-UHFFFAOYSA-N;144.23;3.03;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC1_SC5";;;;;;;3.68;;0.46;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM421584;MM421584;CC1CC1C#CC#CC#N;STVQMISGKLHALK-UHFFFAOYSA-N;129.16;1.17;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC5_N0";;;;;;;1.94;;0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM421585;MM421585;CCCC1=CC(CC)CO1;JAJNTBNCYKSVHX-UHFFFAOYSA-N;140.23;2.73;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC4_SC5";;;;;;;2.97;;0.45;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM421586;MM421586;CC=C(CC)CC#CCF;MYBPGRHFJGZKHY-UHFFFAOYSA-N;140.2;2.71;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1_Na";;;;;;;2.91;;0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM421587;MM421587;CCC1(N)C(C)C1C1CN1;BVECUGJAXGPYKP-UHFFFAOYSA-N;140.23;0.33;;;;;DOPC;MDCG;27;1;"MARTINI bead: SNd_SP1";;;;;;;0.04;;-5.24;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM421588;MM421588;C=CC(=NNC)OC=CF;HCDFNDVQVKSEFV-UHFFFAOYSA-N;144.15;1.16;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nd_Na";;;;;;;0.87;;-1.88;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM421589;MM421589;NC(CO)C1CC(CO)C1;DNMFOKAKHCHVGG-UHFFFAOYSA-N;145.2;-0.68;;;;;DOPC;MDCG;27;1;"MARTINI bead: SNda_SNda";;;;;;;0.87;;-4.54;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM421590;MM421590;CCCC1=CC(CN)CO1;KWNCWYDBKIVCEG-UHFFFAOYSA-N;141.21;1.28;;;;;DOPC;MDCG;27;1;"MARTINI bead: SC4_SP1";;;;;;;1.37;;-2.63;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM421591;MM421591;C=CC#CC#CC1CC1N;MDRIXCNFWXSAQA-UHFFFAOYSA-N;131.18;0.53;;;;;DOPC;MDCG;27;1;"MARTINI bead: SP1_C4";;;;;;;1.37;;-2.11;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM421592;MM421592;CCC#CCC(=CF)CC;KOZWBOINTKJVJF-UHFFFAOYSA-N;140.2;3.05;;;;;DOPC;MDCG;27;0;"MARTINI bead: C3_C3";;;;;;;4.27;;0.2;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM421593;MM421593;CC1C(C2CN2)C1(N)CO;CWVMECQWVUCHAI-UHFFFAOYSA-N;142.2;-1.09;;;;;DOPC;MDCG;27;1;"MARTINI bead: SP2_SP1";;;;;;;-1.06;;-5.82;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM421594;MM421594;C=NNCC(C#N)=C(C)N;XTXMHUMXUGQNIX-UHFFFAOYSA-N;138.17;-0.05;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nd_P2";;;;;;;-0.24;;-3.16;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM421595;MM421595;CCC1CC(C(O)CO)C1;BVCWZHLUNJCHCJ-UHFFFAOYSA-N;144.21;0.78;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC2_SNda";;;;;;;2.83;;0.57;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM421596;MM421596;CCCC1=CC(CO)CO1;CMCWABHJPJZUQK-UHFFFAOYSA-N;142.2;1.31;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC4_SP1";;;;;;;1.37;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM421597;MM421597;C=CC#CC#CC1CC1O;RWRZPIGGHFUCCO-UHFFFAOYSA-N;132.16;0.56;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP1_C4";;;;;;;1.37;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM421598;MM421598;CCC(=CF)CC#CCN;XZNNOOKJODXTJY-UHFFFAOYSA-N;141.19;1.6;;;;;DOPC;MDCG;27;1;"MARTINI bead: C3_Nd";;;;;;;2.57;;-0.26;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM421599;MM421599;CC1C(C2CN2)C1(F)CN;WGHLDQWGXFBWIV-UHFFFAOYSA-N;144.19;-0.11;;;;;DOPC;MDCG;27;1;"MARTINI bead: SP2_SNda";;;;;;;-0.24;;-4.88;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM421600;MM421600;CN=C(NO)C(C)=CNC;JPBFZGBYQWADPK-UHFFFAOYSA-N;143.19;0.12;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1_Nda";;;;;;;0.04;;-4.02;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM421601;MM421601;CCCC1=CC(CF)CO1;UCLXNKOOEVAKFX-UHFFFAOYSA-N;144.19;2.29;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC4_SNa";;;;;;;2.2;;0.34;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM421602;MM421602;C#CC(=C)CC(O)C(C)C;FIVIFEBVAZTOTJ-UHFFFAOYSA-N;138.21;1.58;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda_C5";;;;;;;1.64;;0.05;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM421603;MM421603;CCC(=CF)CC#CCO;VHUUWPZPAAGCAX-UHFFFAOYSA-N;142.17;1.64;;;;;DOPC;MDCG;27;0;"MARTINI bead: C2_P2";;;;;;;1.72;;0.27;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM421604;MM421604;N#CC#CC#CC1CC1O;YCOHFBBYQRSMQQ-UHFFFAOYSA-N;131.13;-0.1;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP1_N0";;;;;;;0.34;;-1.53;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM421605;MM421605;CNC1(C)C(C)C1C1CN1;UHNKETLEHDDUFM-UHFFFAOYSA-N;140.23;0.2;;;;;DOPC;MDCG;27;1;"MARTINI bead: SNd_SP2";;;;;;;-0.24;;-5.79;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM421606;MM421606;Cn1c(=O)onc(N)c1=N;TYSWHVZLDRQXAM-UHFFFAOYSA-N;142.12;-1.57;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP3_SP2";;;;;;;-2.2;;-5.19;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM421607;MM421607;CCCC1=CC(NC)CO1;JITZLRVZUGZORZ-UHFFFAOYSA-N;141.21;1.29;;;;;DOPC;MDCG;27;1;"MARTINI bead: SC4_SP1";;;;;;;1.37;;-1.41;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM421608;MM421608;CCC(=CF)CC#CCF;ZHOJCZNBHUADBH-UHFFFAOYSA-N;144.16;2.61;;;;;DOPC;MDCG;27;0;"MARTINI bead: C2_Na";;;;;;;2.83;;0.35;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM421609;MM421609;NCC(F)C1CC(CO)C1;SCOUNVZQGMNQJR-UHFFFAOYSA-N;147.19;0.3;;;;;DOPC;MDCG;27;1;"MARTINI bead: SNda_SNda";;;;;;;0.87;;-3.57;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM421610;MM421610;C=CC#CC#CC1CC1F;LNVGAPKNPAMZBC-UHFFFAOYSA-N;134.15;1.54;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNa_C4";;;;;;;2.2;;0.34;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM421611;MM421611;CC1C(C2CO2)C1(C)CO;LBEMWSNKZOBPIO-UHFFFAOYSA-N;142.2;0.65;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNa_SNda";;;;;;;0.87;;-1.99;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM421612;MM421612;CC=C(CN)CC#CCC;NMVSGSPIUMJFQN-UHFFFAOYSA-N;137.23;1.69;;;;;DOPC;MDCG;27;1;"MARTINI bead: C3_Nd";;;;;;;2.57;;-0.94;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM421613;MM421613;CNC=C(F)C(=NO)NC;STUJPGUBCWMUAV-UHFFFAOYSA-N;147.15;0.02;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_Nda";;;;;;;-0.24;;-3.31;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM421614;MM421614;CCCC1=CC(OC)CO1;AFIBSFLUGVJWIP-UHFFFAOYSA-N;142.2;1.72;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC4_SNa";;;;;;;2.2;;0.34;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM421615;MM421615;CCC(O)C1CC(NC)C1;KHOAJUMOPRPGMX-UHFFFAOYSA-N;143.23;0.76;;;;;DOPC;MDCG;27;1;"MARTINI bead: SC5_SNd";;;;;;;1.64;;-2.54;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM421616;MM421616;N#CC#CC#CC1CC1F;ZMDQSYDFWBTRJL-UHFFFAOYSA-N;133.13;0.87;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNa_N0";;;;;;;1.17;;-1.18;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM421617;MM421617;CCC1(N)C(C)C1C1CO1;YMLYCQHVSWHWON-UHFFFAOYSA-N;141.21;0.76;;;;;DOPC;MDCG;27;1;"MARTINI bead: SNd_SNa";;;;;;;0.87;;-4.76;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM421618;MM421618;CC=C(CN)CC#CCO;VQQRBXXRWNIXHR-UHFFFAOYSA-N;139.2;0.28;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_Nda";;;;;;;0.87;;-4.13;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM421619;MM421619;CC=NNCC(C#N)=CF;VJKCKDVQVGOMHE-UHFFFAOYSA-N;141.15;0.96;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nd_Na";;;;;;;0.87;;-1.88;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM421620;MM421620;CCCC1=NC(CO)CN1;GULOKNOHYPVJOL-UHFFFAOYSA-N;142.2;0.15;;;;;DOPC;MDCG;27;1;"MARTINI bead: SC5_SP2";;;;;;;0.54;;-3.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM421621;MM421621;CCC(C)C1CC(OC)C1;AUMJUAXLNUYNQH-UHFFFAOYSA-N;142.24;2.46;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC1_SNa";;;;;;;2.91;;0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM421622;MM421622;C=CC#CC#CC1NC1C;CAPPICFMUYBMSA-UHFFFAOYSA-N;131.18;0.54;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP1_C4";;;;;;;1.37;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM421623;MM421623;CC=C(CN)CC#CCF;RBDWORSQIVKAES-UHFFFAOYSA-N;141.19;1.25;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_Na";;;;;;;0.87;;-4.1;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM421624;MM421624;NC1C(C2CO2)C1(N)CO;WCRXNHBQTLYLSD-UHFFFAOYSA-N;144.17;-1.97;;;;;DOPC;MDCG;27;1;"MARTINI bead: SP1_SP3";;;;;;;-1.93;;-6.41;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM421625;MM421625;CC=C(OC)C(C)=CCC;VJAJBAMPVIHVDF-UHFFFAOYSA-N;140.23;2.89;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1_C5";;;;;;;3.68;;0.46;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM421626;MM421626;CCCC1=NN(CC)CC1;WEQLBFGFGLCYDP-UHFFFAOYSA-N;140.23;1.87;;;;;DOPC;MDCG;27;0;"MARTINI bead: SN0_SN0";;;;;;;1.47;;-0.05;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM421627;MM421627;COC1CC(C(C)CN)C1;BWCBEDFQUSKCQH-UHFFFAOYSA-N;143.23;1.01;;;;;DOPC;MDCG;27;1;"MARTINI bead: SNa_SC5";;;;;;;1.64;;-2.74;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM421628;MM421628;CC1NC1C#CC#CC#N;LWQUTQGQVGGUNC-UHFFFAOYSA-N;130.15;-0.12;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP1_N0";;;;;;;0.34;;-1.53;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM421629;MM421629;CCC#CCC(=CF)CN;KPETUFFNAWTVBQ-UHFFFAOYSA-N;141.19;1.6;;;;;DOPC;MDCG;27;1;"MARTINI bead: C3_P1";;;;;;;1.74;;-1.47;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM421630;MM421630;CC1C(C2CO2)C1(O)CN;HLNXEGHCEDWFCF-UHFFFAOYSA-N;143.19;-0.66;;;;;DOPC;MDCG;27;1;"MARTINI bead: SNa_SP1";;;;;;;0.04;;-4.75;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM421631;MM421631;CC=C(OC)C(C)=CCO;MDBMJZUAGDUSCT-UHFFFAOYSA-N;142.2;1.48;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_Nda";;;;;;;1.64;;0.05;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM421632;MM421632;CCN1CCC(CCN)=N1;KLBPXQJVAQTGNN-UHFFFAOYSA-N;141.22;0.42;;;;;DOPC;MDCG;27;1;"MARTINI bead: SN0_SP1";;;;;;;0.34;;-3.94;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM421633;MM421633;C=CC(=C)CC1(O)CC1C;PCBLHOSVXNBCHD-UHFFFAOYSA-N;138.21;1.89;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNda_C3";;;;;;;2.57;;0.44;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM421634;MM421634;C=CC#CC#CC1OC1C;PKPOMMBOYFSJBK-UHFFFAOYSA-N;132.16;0.97;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNa_C4";;;;;;;2.2;;0.34;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM421635;MM421635;NCC(=CF)CC#CCF;MDBOPKMSXXXJIP-UHFFFAOYSA-N;145.15;1.16;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1_C5";;;;;;;0.81;;-2.62;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM421636;MM421636;CC1C(C2CO2)C1(F)CN;LJJULMYZONDBNT-UHFFFAOYSA-N;145.18;0.32;;;;;DOPC;MDCG;27;1;"MARTINI bead: SP1_SNda";;;;;;;0.04;;-4.27;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM421637;MM421637;COC=C(C)C(=CF)OC;ITSOZPJPSUAFGT-UHFFFAOYSA-N;146.16;1.99;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_N0";;;;;;;1.94;;0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM421638;MM421638;C=CCC1=CC(CC)CC1;LSIAKHYYBLLUMF-UHFFFAOYSA-N;136.24;3.31;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC2_SC3";;;;;;;4.53;;0.32;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM421639;MM421639;COC1CC(C(N)CF)C1;BSSBBKRYYAVYQF-UHFFFAOYSA-N;147.19;0.71;;;;;DOPC;MDCG;27;1;"MARTINI bead: SNa_SNda";;;;;;;0.87;;-3.81;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM421640;MM421640;CN1C(C2CO2)C1(C)CN;KFBUQEHICHSOCO-UHFFFAOYSA-N;142.2;-0.58;;;;;DOPC;MDCG;27;1;"MARTINI bead: SP1_SP1";;;;;;;-0.79;;-5.12;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM421641;MM421641;CC=C(CO)CC#CCC;FXSICNWDIUEFDE-UHFFFAOYSA-N;138.21;1.73;;;;;DOPC;MDCG;27;0;"MARTINI bead: C3_Nda";;;;;;;2.57;;0.44;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM421642;MM421642;CC1OC1C#CC#CC#N;SKHIMNQFJZVULR-UHFFFAOYSA-N;131.13;0.3;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNa_N0";;;;;;;1.17;;-1.18;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM421643;MM421643;CC=C(OC)C(F)=COC;DQUBLPMGAFERQF-UHFFFAOYSA-N;146.16;1.99;;;;;DOPC;MDCG;27;0;"MARTINI bead: N0_C5";;;;;;;1.94;;0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM421644;MM421644;CCC1C=C(CC#N)CC1;ZPGJOPMDUQNKKT-UHFFFAOYSA-N;135.21;2.65;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC2_SC5";;;;;;;3.6;;0.34;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM421645;MM421645;CC(CN)C1CC(CN)N1;SYUFNKARHGJXGE-UHFFFAOYSA-N;143.23;-0.73;;;;;DOPC;MDCG;27;1;"MARTINI bead: SP1_SP2";;;;;;;-1.06;;-6.62;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM421646;MM421646;CCC1(N)C(C)C1N1CC1;HWNPKGOPFQUWMB-UHFFFAOYSA-N;140.23;0.43;;;;;DOPC;MDCG;27;1;"MARTINI bead: SNd_SP1";;;;;;;0.04;;-4.74;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM421647;MM421647;CC=C(CO)CC#CCN;WFCBNDRCBAPNRG-UHFFFAOYSA-N;139.2;0.28;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nda_Nd";;;;;;;0.87;;-3.41;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM421648;MM421648;C=CC#CC#CC1CN1C;CDCVKXQGMMNYPA-UHFFFAOYSA-N;131.18;0.49;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP1_C4";;;;;;;1.37;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM421649;MM421649;C=CCC1=CC(CN)CC1;CKGUGGDYYFLJSZ-UHFFFAOYSA-N;137.23;1.86;;;;;DOPC;MDCG;27;1;"MARTINI bead: SNd_SC3";;;;;;;2.57;;-1.49;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM421650;MM421650;COC=C(F)C(=CF)OC;RXKOAEJZXUMCCU-UHFFFAOYSA-N;150.12;1.9;;;;;DOPC;MDCG;27;0;"MARTINI bead: N0_N0";;;;;;;1.47;;-0.05;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM421651;MM421651;CCC(C)C1CC(CO)N1;QUPITBGVOMUVSE-UHFFFAOYSA-N;143.23;0.76;;;;;DOPC;MDCG;27;1;"MARTINI bead: SC5_SP2";;;;;;;0.54;;-4.12;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM421652;MM421652;CC1C(N2CC2)C1(O)CN;JCAWQZKDJNSDOX-UHFFFAOYSA-N;142.2;-0.99;;;;;DOPC;MDCG;27;1;"MARTINI bead: SP1_SP1";;;;;;;-0.79;;-5.01;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM421653;MM421653;CC=C(CO)CC#CCO;UHYIEBHJJXOZSX-UHFFFAOYSA-N;140.18;0.31;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_P2";;;;;;;0.54;;-1.09;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM421654;MM421654;CN1CC1C#CC#CC=O;HFZDHCOMMBLXCX-UHFFFAOYSA-N;133.15;-0.49;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNd_C5";;;;;;;1.64;;0.02;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM421655;MM421655;C#CC1=NNC(CC#N)C1;INFPRUUZXAVCCT-UHFFFAOYSA-N;133.15;0.25;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP1_SNd";;;;;;;0.04;;-2.63;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM421656;MM421656;C=C(F)C(OC)OC=NN;IPDHYNMLXGTILP-UHFFFAOYSA-N;148.14;0.36;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_C5";;;;;;;0.54;;-1.09;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM421657;MM421657;CC1C(N2CC2)C1(F)CN;LXUMWZAZCHTFAV-UHFFFAOYSA-N;144.19;-0.01;;;;;DOPC;MDCG;27;1;"MARTINI bead: SP1_SNda";;;;;;;0.04;;-3.93;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM421658;MM421658;CC=C(CO)CC#CCF;SICXSYJZZRGLKJ-UHFFFAOYSA-N;142.17;1.29;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_Na";;;;;;;1.64;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM421659;MM421659;CCC(C)C1CC(CF)N1;CFUJQKLBGZXRFQ-UHFFFAOYSA-N;145.22;1.73;;;;;DOPC;MDCG;27;1;"MARTINI bead: SC5_SP1";;;;;;;0.81;;-2.61;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM421660;MM421660;CN1CC1C#CC#CC#N;ZVVVRYZIENRMKK-UHFFFAOYSA-N;130.15;-0.17;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP1_N0";;;;;;;0.34;;-1.53;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM421661;MM421661;CC(F)=C(CF)OC=NN;KSAYCFVOSWEJBL-UHFFFAOYSA-N;150.13;1.08;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_P1";;;;;;;0.81;;-0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM421662;MM421662;CCn1oc(=NN)oc1=N;OCJJHAHZKPSOPY-UHFFFAOYSA-N;144.13;-1.05;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_SP2";;;;;;;0.54;;-1.09;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM421663;MM421663;C=C1C(=N)NN=C1CF;BIPZDJBFYKWIFQ-UHFFFAOYSA-N;127.12;0.45;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP1_SP1";;;;;;;-0.79;;-3.13;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM421664;MM421664;OCC#CCC(=CF)CO;HEAXZBGCSLXRIF-UHFFFAOYSA-N;144.15;0.22;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_Nda";;;;;;;-0.24;;-3.31;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM421665;MM421665;CCC(F)C1CC(CN)N1;KBXPNIKJYPFORH-UHFFFAOYSA-N;146.21;0.42;;;;;DOPC;MDCG;27;1;"MARTINI bead: SNa_SP2";;;;;;;-0.24;;-5.35;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM421666;MM421666;C#CC#CC#CC1CC1C;PJWHZSSGSOWWFP-UHFFFAOYSA-N;128.17;1.28;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC5_C4";;;;;;;2.97;;0.45;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM421667;MM421667;C=CC(OC=NN)=C(C)C;JTWYQCSIWMBPAO-UHFFFAOYSA-N;140.19;1.38;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4_P1";;;;;;;1.37;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM421668;MM421668;CCC=C(C)C(=NO)OC;CJDUDBZDSATVJN-UHFFFAOYSA-N;143.19;1.78;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1_P2";;;;;;;1.8;;0.4;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM421669;MM421669;CC1C(C2CC2)C1(C)C#N;XZIPSXOKEBXUSW-UHFFFAOYSA-N;135.21;2.19;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC5_SC5";;;;;;;2.41;;0.64;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM421670;MM421670;CCC1CC(C(C)CC)O1;ZNNFQEIKNFLASG-UHFFFAOYSA-N;142.24;2.6;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC5_SN0";;;;;;;1.94;;0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM421671;MM421671;OCC(=CF)CC#CCF;HBFUDOXYDLCYLB-UHFFFAOYSA-N;146.14;1.2;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda_Na";;;;;;;0.87;;-1.99;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM421672;MM421672;C#CC#CC#CC1CC1N;VBKSGUGPMPRHMQ-UHFFFAOYSA-N;129.16;-0.03;;;;;DOPC;MDCG;27;1;"MARTINI bead: SP1_C4";;;;;;;1.37;;-2.11;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM421673;MM421673;C=CCC1=CC(CF)CC1;WLOOOYVAADWMND-UHFFFAOYSA-N;140.2;2.87;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC5_SC3";;;;;;;3.34;;0.48;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM421674;MM421674;C=CC1(N)C(C)C1C1CC1;JZQQYGMRXCWWHZ-UHFFFAOYSA-N;137.23;1.55;;;;;DOPC;MDCG;27;1;"MARTINI bead: SC5_SNd";;;;;;;1.64;;-2.28;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM421675;MM421675;COC(=NO)C(C)=CCN;PEDXLQLPKORKBZ-UHFFFAOYSA-N;144.17;0.33;;;;;DOPC;MDCG;27;1;"MARTINI bead: P2_Nd";;;;;;;-0.24;;-6.4;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM421676;MM421676;CC=C(CF)CC#CCC;BMHUZJYYHOUJDF-UHFFFAOYSA-N;140.2;2.71;;;;;DOPC;MDCG;27;0;"MARTINI bead: C3_C4";;;;;;;3.9;;0.47;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM421677;MM421677;CCC(C)C1CC(CN)O1;KEDQGBNCQQCVNH-UHFFFAOYSA-N;143.23;1.15;;;;;DOPC;MDCG;27;1;"MARTINI bead: SC5_SP1";;;;;;;0.81;;-2.56;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM421678;MM421678;C#CC#CC#CC1CC1O;ZEBJUDKPOSGAFX-UHFFFAOYSA-N;130.15;0.01;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP1_C4";;;;;;;1.37;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM421679;MM421679;N#CCC1=CC(CF)CC1;YTZORBQCLMMCAM-UHFFFAOYSA-N;139.17;2.21;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC5_SC5";;;;;;;2.41;;0.64;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM421680;MM421680;C=CC1(N)C(O)C1C1CC1;ZYCRVVZDUSWVBS-UHFFFAOYSA-N;139.2;0.27;;;;;DOPC;MDCG;27;1;"MARTINI bead: SP2_SC5";;;;;;;0.54;;-2.78;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM421681;MM421681;CNn1oc(=NN)oc1=N;QEBRYFIZMVIDRI-UHFFFAOYSA-N;145.12;-1.9;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_SP2";;;;;;;-1.34;;-4.31;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM421682;MM421682;CC=C(CF)CC#CCN;NGJOXCQXAZYERR-UHFFFAOYSA-N;141.19;1.25;;;;;DOPC;MDCG;27;1;"MARTINI bead: C4_Nd";;;;;;;2.2;;-0.92;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM421683;MM421683;CCC(C)C1CC(CO)O1;MKXYEIIUBJDDEM-UHFFFAOYSA-N;144.21;1.18;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC5_SP1";;;;;;;0.81;;-0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM421684;MM421684;C=CCC1=CC(NC)CC1;SUNQLHQJDFAYDO-UHFFFAOYSA-N;137.23;1.87;;;;;DOPC;MDCG;27;1;"MARTINI bead: SNd_SC3";;;;;;;2.57;;-1.14;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM421685;MM421685;C#CC#CC#CC1CC1F;WBBNUSOXHDCMQA-UHFFFAOYSA-N;132.14;0.98;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNa_C4";;;;;;;2.2;;0.34;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM421686;MM421686;COC1(C=O)CC=NO1;SRVLURVQEKAWIZ-UHFFFAOYSA-N;129.12;-0.07;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNa_SP1";;;;;;;0.04;;-2.54;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM421687;MM421687;COC=C(C)C(=NO)OC;JDJLPHUYEXFHQP-UHFFFAOYSA-N;145.16;0.97;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_P2";;;;;;;0.54;;-1.09;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM421688;MM421688;CC=C(CF)CC#CCO;FGCYKICZRNWUOJ-UHFFFAOYSA-N;142.17;1.29;;;;;DOPC;MDCG;27;0;"MARTINI bead: C3_P2";;;;;;;1.46;;-0.15;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM421689;MM421689;CCC(C)C1CC(CF)O1;PWQWUEODYDVKPS-UHFFFAOYSA-N;146.21;2.16;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC5_SNa";;;;;;;1.64;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM421690;MM421690;CNC1C=C(CC#N)CC1;MTSWCPNTDBJFJO-UHFFFAOYSA-N;136.2;1.21;;;;;DOPC;MDCG;27;1;"MARTINI bead: SNd_SC5";;;;;;;1.64;;-2.31;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM421691;MM421691;C#CC#CC#CC1NC1C;GJBKLSGSTZGDOW-UHFFFAOYSA-N;129.16;-0.01;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP1_C4";;;;;;;1.37;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM421692;MM421692;CC1C(C2CC2)C1(O)C=O;QBYIJMGVAUIWLW-UHFFFAOYSA-N;140.18;0.59;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC5_SP1";;;;;;;0.81;;-0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM421693;MM421693;CCC(=CF)C(C)=NNC;IEUFGFPDEJMYNE-UHFFFAOYSA-N;144.19;1.85;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1_P3";;;;;;;0.94;;0.03;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM421694;MM421694;CC=C(CF)CC#CCF;WZXKZYJEKXMKFI-UHFFFAOYSA-N;144.16;2.27;;;;;DOPC;MDCG;27;0;"MARTINI bead: C3_Na";;;;;;;2.57;;0.45;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM421695;MM421695;CCN(C)C1CC(NC)C1;LNCVUCNNAIDXAI-UHFFFAOYSA-N;142.25;0.69;;;;;DOPC;MDCG;27;1;"MARTINI bead: SC5_SNd";;;;;;;1.64;;-2.58;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM421696;MM421696;C#CC#CC#CC1OC1C;FJUHSAIPZFJROC-UHFFFAOYSA-N;130.15;0.41;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNa_C4";;;;;;;2.2;;0.34;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM421697;MM421697;C=CCC1=CC(OC)CC1;FLLRMRQUCUQUOC-UHFFFAOYSA-N;138.21;2.3;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNa_SC3";;;;;;;2.57;;0.45;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM421698;MM421698;CC1C(C2CC2)C1(O)C#N;GYOLNEWZOYNCDX-UHFFFAOYSA-N;137.18;0.92;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC5_SP1";;;;;;;0.81;;-0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM421699;MM421699;CNN=C(C)C(=CN)CN;BLKPFLQAQZBCOB-UHFFFAOYSA-N;142.21;-0.62;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_P3";;;;;;;-1.1;;-5.46;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM421700;MM421700;CCC#CCC(=CF)CF;VFVJGKSJNVDPCD-UHFFFAOYSA-N;144.16;2.61;;;;;DOPC;MDCG;27;0;"MARTINI bead: C3_C5";;;;;;;3.34;;0.48;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM421701;MM421701;CCN(C)C1CC(OC)C1;QHSSESJRNMLVMR-UHFFFAOYSA-N;143.23;1.12;;;;;DOPC;MDCG;27;1;"MARTINI bead: SC5_SNa";;;;;;;1.64;;-2.12;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM421702;MM421702;C=CC1(O)C(N)C1C1CC1;UUTRVWOIURPSEI-UHFFFAOYSA-N;139.2;0.27;;;;;DOPC;MDCG;27;1;"MARTINI bead: SC5_SP2";;;;;;;0.54;;-3.02;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM421703;MM421703;COC1C=C(CC#N)CC1;XWHNEMYLIGDOJB-UHFFFAOYSA-N;137.18;1.64;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNa_SC5";;;;;;;1.64;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM421704;MM421704;C#CC#CC#CC1CN1C;OXXCPLTWAZSEGM-UHFFFAOYSA-N;129.16;-0.06;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP1_C4";;;;;;;1.37;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM421705;MM421705;CNn1oc(=NN)oc1=O;HNSJZIAEYWQTOB-UHFFFAOYSA-N;146.11;-2.02;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_SP2";;;;;;;-1.34;;-4.31;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM421706;MM421706;CCC(C)C1CN(CC)C1;AXWZKSWRIDVFQI-UHFFFAOYSA-N;141.26;1.98;;;;;DOPC;MDCG;27;1;"MARTINI bead: SC5_SNd";;;;;;;1.64;;-1.84;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM421707;MM421707;NCC#CCC(=CF)CF;UZOYCJRGASHDDN-UHFFFAOYSA-N;145.15;1.16;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_C5";;;;;;;1.64;;-1.39;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM421708;MM421708;C=CC1(F)C(C)C1C1CC1;XAMKVBCNKYXFMW-UHFFFAOYSA-N;140.2;2.56;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC5_SC4";;;;;;;2.97;;0.45;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM421709;MM421709;CCC1C=C(NC=N)CC1;OGCDUCVDYGZNGY-UHFFFAOYSA-N;138.21;1.89;;;;;DOPC;MDCG;27;1;"MARTINI bead: SC2_SNd";;;;;;;2.83;;-1.71;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM421710;MM421710;C#CCOC1CC1C(C)C;WFRQGLHNCXRTHG-UHFFFAOYSA-N;138.21;1.68;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC4_Na";;;;;;;2.2;;0.34;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM421711;MM421711;CCC(O)C1CN(CC)C1;CQXRMHUURKVHPJ-UHFFFAOYSA-N;143.23;0.71;;;;;DOPC;MDCG;27;1;"MARTINI bead: SNda_SNd";;;;;;;0.87;;-3.14;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM421712;MM421712;CC=C(CC)C(C)=NOC;AGACQSZFLPWQBJ-UHFFFAOYSA-N;141.21;2.37;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1_Na";;;;;;;2.91;;0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM421713;MM421713;CCC#CCC(CC)=NN;SDTZZDRHFDTNPJ-UHFFFAOYSA-N;138.21;1.51;;;;;DOPC;MDCG;27;0;"MARTINI bead: C3_Nd";;;;;;;2.57;;0.53;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM421714;MM421714;CCC1C=C(NC=O)CC1;NNYITJWIWPMQCI-UHFFFAOYSA-N;139.2;1.44;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC2_SNda";;;;;;;2.83;;0.57;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM421715;MM421715;CC1C(C2CC2)C1(F)C=O;HOUUOGPKSRHPRG-UHFFFAOYSA-N;142.17;1.57;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC5_SNa";;;;;;;1.64;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM421716;MM421716;C=NN=CC1CN1C(C)=O;HNZRRGPIRZQIIN-UHFFFAOYSA-N;139.16;-0.1;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP2_N0";;;;;;;0.06;;-2.21;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM421717;MM421717;CC=C(CN)C(C)=NOC;WGACNDMMICTVNW-UHFFFAOYSA-N;142.2;0.91;;;;;DOPC;MDCG;27;1;"MARTINI bead: Na_Nd";;;;;;;0.87;;-3.73;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM421718;MM421718;CCN1CC(N(C)CC)C1;UNCVHVICWFRNOO-UHFFFAOYSA-N;142.25;0.64;;;;;DOPC;MDCG;27;1;"MARTINI bead: SNd_SP1";;;;;;;0.04;;-3.72;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM421719;MM421719;CCON=CC(F)CC#N;WWZCFTJQEIGJOI-UHFFFAOYSA-N;144.15;1.26;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_Na";;;;;;;0.87;;-2.22;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM421720;MM421720;N=CNC1=CC(CN)CC1;DDBQIJKBFOKQGI-UHFFFAOYSA-N;139.2;0.44;;;;;DOPC;MDCG;27;1;"MARTINI bead: SNd_SNd";;;;;;;0.87;;-5.92;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM421721;MM421721;C=NN=CC1CN1C(=N)N;RSSZGTPXMXHRQF-UHFFFAOYSA-N;139.16;-0.75;;;;;DOPC;MDCG;27;1;"MARTINI bead: SP2_N0";;;;;;;0.06;;-6.07;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM421722;MM421722;CC1C(C2CC2)C1(F)C#N;CHTRTJGFHKBTRY-UHFFFAOYSA-N;139.17;1.89;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC5_SNa";;;;;;;1.64;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM421723;MM421723;CCC1CN(C(C)CN)C1;ALUAPIKLQKXOQS-UHFFFAOYSA-N;142.25;0.68;;;;;DOPC;MDCG;27;1;"MARTINI bead: SN0_SNd";;;;;;;1.17;;-3.16;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM421724;MM421724;CON=C(C)C(=CF)CN;GVGNTMVURMKFGZ-UHFFFAOYSA-N;146.17;0.82;;;;;DOPC;MDCG;27;1;"MARTINI bead: Na_P1";;;;;;;0.04;;-4.3;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM421725;MM421725;CCC(CC#CCF)=NN;MNAFMKLSUNSXKT-UHFFFAOYSA-N;142.18;1.07;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_Na";;;;;;;1.64;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM421726;MM421726;C#CC=CC1CC1C(C)=O;QVSXZGYELCVHNZ-UHFFFAOYSA-N;134.18;1.4;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_SC4";;;;;;;1.37;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM421727;MM421727;N=CNC1=CC(CO)CC1;BSCDNJPVVPXDMY-UHFFFAOYSA-N;140.19;0.47;;;;;DOPC;MDCG;27;1;"MARTINI bead: SNda_SNd";;;;;;;0.87;;-5.68;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM421728;MM421728;CCC1CN(C(C)CO)C1;NGVJKHNGPJUSBZ-UHFFFAOYSA-N;143.23;0.71;;;;;DOPC;MDCG;27;1;"MARTINI bead: SN0_SNda";;;;;;;1.17;;-2.88;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM421729;MM421729;COn1oc(=NN)oc1=N;FEDMNKWUXPSDHN-UHFFFAOYSA-N;146.11;-2.01;;;;;DOPC;MDCG;27;0;"MARTINI bead: P3_SP2";;;;;;;-2.2;;-5.19;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM421730;MM421730;C=CC1(N)C(N)C1C1CN1;YOQNNKBJIIOZCX-UHFFFAOYSA-N;139.2;-1.2;;;;;DOPC;MDCG;27;1;"MARTINI bead: SP2_SP2";;;;;;;-1.34;;-5.94;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM421731;MM421731;CCC#CCC(CC)=NO;FWCFDLXCKTUWNL-UHFFFAOYSA-N;139.2;2.03;;;;;DOPC;MDCG;27;0;"MARTINI bead: C3_Nda";;;;;;;2.57;;0.44;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM421732;MM421732;C#CC=CC1CC1C(=N)N;JBYHVFIENSBPHR-UHFFFAOYSA-N;134.18;0.75;;;;;DOPC;MDCG;27;1;"MARTINI bead: P2_SC4";;;;;;;1.09;;-5.15;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM421733;MM421733;C=CC1(C)C(C)C1C1CO1;OSXGDIXIAXHYPZ-UHFFFAOYSA-N;138.21;1.84;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNa_SC4";;;;;;;2.2;;0.34;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM421735;MM421735;CCC(C)N1CC(CN)C1;XNHAANKJUYUPCZ-UHFFFAOYSA-N;142.25;0.68;;;;;DOPC;MDCG;27;1;"MARTINI bead: SC5_SP2";;;;;;;0.54;;-3.66;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM421734;MM421734;CN=C(NC)C(C)=NNC;IWNGZYLFBYWWJP-UHFFFAOYSA-N;142.21;-0.17;;;;;DOPC;MDCG;27;1;"MARTINI bead: P3_C5";;;;;;;-0.33;;-3.47;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM421736;MM421736;N=CNC1=CC(CF)CC1;PUYQYDULBVVNLR-UHFFFAOYSA-N;142.18;1.45;;;;;DOPC;MDCG;27;1;"MARTINI bead: SC5_SNd";;;;;;;1.64;;-3.67;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM421737;MM421737;CCC(CC#CCF)=NO;KGLRJNOANFMNPK-UHFFFAOYSA-N;143.16;1.59;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda_Na";;;;;;;0.87;;-1.99;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM421738;MM421738;CCC#CC1CC1C(C)C;ZUVQCAZXPTUXRW-UHFFFAOYSA-N;136.24;2.69;;;;;DOPC;MDCG;27;0;"MARTINI bead: C3_SC4";;;;;;;3.9;;0.47;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM421739;MM421739;O=CNC1=CC(CF)CC1;PIQSIDNPLGZBGL-UHFFFAOYSA-N;143.16;1;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC5_SNda";;;;;;;1.64;;0.05;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM421740;MM421740;C=NNC=CC(=O)C=CC;OQUXBDIXBNKEQW-UHFFFAOYSA-N;138.17;0.85;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_Nd";;;;;;;0.87;;-1.88;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM421741;MM421741;C=CC1(N)C(C)C1C1CO1;JYMFCMKUIVISQH-UHFFFAOYSA-N;139.2;0.53;;;;;DOPC;MDCG;27;1;"MARTINI bead: SNa_SNd";;;;;;;0.87;;-4.19;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM421742;MM421742;C=Cn1oc(=NN)oc1=N;XMIJBMGLSXOGDF-UHFFFAOYSA-N;142.12;-0.97;;;;;DOPC;MDCG;27;0;"MARTINI bead: N0_SP2";;;;;;;0.06;;-2.21;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM421743;MM421743;CC(CN)N1CC(CO)C1;RZJSGSUQJIEAMM-UHFFFAOYSA-N;144.22;-0.74;;;;;DOPC;MDCG;27;1;"MARTINI bead: SNd_SP2";;;;;;;-0.24;;-5.17;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM421744;MM421744;C=COC(=C)C(=N)NN=C;MULQSFGVAZZESH-UHFFFAOYSA-N;139.16;0.84;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_P2";;;;;;;0.54;;-1.09;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM421745;MM421745;CC=NNCC(=O)C(C)C;HOUOSUCQJDEDCO-UHFFFAOYSA-N;142.2;0.81;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nd_Na";;;;;;;0.87;;-1.88;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM421746;MM421746;C=CC1(O)C(C)C1C1CO1;XYBIYHXTYINOIK-UHFFFAOYSA-N;140.18;0.57;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNa_SNda";;;;;;;0.87;;-1.99;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM421747;MM421747;CNC1C=C(NC=N)CC1;BOXSPAZOZXZWCV-UHFFFAOYSA-N;139.2;0.45;;;;;DOPC;MDCG;27;1;"MARTINI bead: SNd_SNd";;;;;;;0.87;;-5.78;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM421748;MM421748;C=CC(N)C1CC(CO)N1;WRAKHLYGCOCXSN-UHFFFAOYSA-N;142.2;-0.78;;;;;DOPC;MDCG;27;1;"MARTINI bead: SP2_SP2";;;;;;;-1.34;;-6.75;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM421749;MM421749;N=Cn1oc(=NN)oc1=N;UYNKCACLAOXLOE-UHFFFAOYSA-N;143.11;-1.62;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_SP2";;;;;;;-1.34;;-4.31;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM421750;MM421750;CC(=O)C(=N)NC=CCF;SGJGDWOELWZQLP-UHFFFAOYSA-N;144.15;0.63;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_P1";;;;;;;0.04;;-2.54;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM421751;MM421751;CC=NNC=C(C)C(C)=O;ACPGHIRRTLPCJW-UHFFFAOYSA-N;140.19;1.07;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nd_Na";;;;;;;0.87;;-1.88;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM421752;MM421752;COC1C=C(NC=N)CC1;RBVKQVUOSCMTRS-UHFFFAOYSA-N;140.19;0.88;;;;;DOPC;MDCG;27;1;"MARTINI bead: SNa_SNd";;;;;;;0.87;;-5.44;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM421753;MM421753;CC1C(C2CO2)C1(O)C#N;AVBYOYZHRFBWSM-UHFFFAOYSA-N;139.15;-0.09;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP1_SP1";;;;;;;-0.79;;-3.13;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM421754;MM421754;C=CC(C)C1CC(CO)O1;LKIKYFFTVZNNKJ-UHFFFAOYSA-N;142.2;0.96;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC5_SP1";;;;;;;0.81;;-0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM421755;MM421755;CNN=C(C)C(=NO)NO;VZYNKUMALKXJMY-UHFFFAOYSA-N;146.15;-0.65;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nd_P4";;;;;;;-1.19;;-4.91;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM421756;MM421756;C=CC#CC1CC1C(F)F;VHFRBZSQARSEBM-UHFFFAOYSA-N;142.15;2.08;;;;;DOPC;MDCG;27;0;"MARTINI bead: N0_SC4";;;;;;;2.5;;0.44;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM421757;MM421757;C=CC1(F)C(C)C1C1CO1;STOVXEBIUSVZCB-UHFFFAOYSA-N;142.17;1.55;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP1_SC4";;;;;;;1.37;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM421758;MM421758;C=CC=C(C)C(C)C(C)O;WAVCOAFYZODOLH-UHFFFAOYSA-N;140.23;2.14;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_C1";;;;;;;2.08;;0.48;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM421759;MM421759;CC=C(OC)C(C)=NNC;XOVZLPCWMNWJEM-UHFFFAOYSA-N;142.2;1.13;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nd_C5";;;;;;;1.64;;0.02;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM421760;MM421760;C=COC1=CC(CC)CC1;DXRIHPRWUVBHLB-UHFFFAOYSA-N;138.21;2.85;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC2_SC4";;;;;;;4.16;;0.44;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM421761;MM421761;CCC1CC(N(C)C=N)C1;BHGAXMPDDOVTHC-UHFFFAOYSA-N;140.23;1.71;;;;;DOPC;MDCG;27;1;"MARTINI bead: SC2_SNd";;;;;;;2.83;;-2.18;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM421762;MM421762;N#CC#CC1CC1C(F)F;QMRSZEDQKQHTOY-UHFFFAOYSA-N;141.12;1.41;;;;;DOPC;MDCG;27;0;"MARTINI bead: N0_SN0";;;;;;;1.47;;-0.05;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM421763;MM421763;CCC1CC(N(C)C=O)C1;XHJHNCSPRLXHKQ-UHFFFAOYSA-N;141.21;1.26;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC2_SNda";;;;;;;2.83;;0.57;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM421764;MM421764;CC1C(C2CO2)C1(F)C=O;CMUAKRTUKJDBHM-UHFFFAOYSA-N;144.15;0.56;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP1_SNa";;;;;;;0.04;;-2.54;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM421765;MM421765;CN(CC(=O)O)C(=N)C=O;UTYYNDRRQCFUMO-UHFFFAOYSA-N;144.13;-0.82;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_P1";;;;;;;-1.06;;-8.46;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM421766;MM421766;CNN=C(C)C(=CN)OC;SCZRAYSTEODNPU-UHFFFAOYSA-N;143.19;0.03;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_Nda";;;;;;;-0.24;;-3.31;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM421767;MM421767;C=COC1=CC(CN)CC1;PVISJGCZNKEYGK-UHFFFAOYSA-N;139.2;1.4;;;;;DOPC;MDCG;27;1;"MARTINI bead: SNd_SC4";;;;;;;2.2;;-2.19;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM421768;MM421768;CN(C=N)C1CC(CN)C1;XEVGIQJNRGUWEN-UHFFFAOYSA-N;141.22;0.26;;;;;DOPC;MDCG;27;1;"MARTINI bead: SNd_SNd";;;;;;;0.87;;-6.39;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM421769;MM421769;CC(C)C1NC1C#CC#N;JAZJGNAYIGIGGY-UHFFFAOYSA-N;134.18;0.51;;;;;DOPC;MDCG;27;0;"MARTINI bead: C3_SP2";;;;;;;1.46;;-0.15;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM421770;MM421770;COC(=O)C(C=O)C=O;RTFMHSWZEMCDIM-UHFFFAOYSA-N;130.1;-0.83;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_Na";;;;;;;0.04;;-7.32;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM421771;MM421771;CC1C(C2CO2)C1(F)C#N;MEVKPJTYEXGBRR-UHFFFAOYSA-N;141.15;0.88;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP1_SNa";;;;;;;0.04;;-2.54;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM421772;MM421772;CNN=C(C)C(=CF)OC;YRXODBVGOLBMRA-UHFFFAOYSA-N;146.17;1.04;;;;;DOPC;MDCG;27;0;"MARTINI bead: P3_C4";;;;;;;0.23;;-1.03;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM421773;MM421773;C=COC1=CC(CO)CC1;ASRJCSJKHKBGMW-UHFFFAOYSA-N;140.18;1.43;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNda_SC4";;;;;;;2.2;;0.49;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM421774;MM421774;C=CC#CC1NC1C(C)N;XWPIBSWPNUBVGI-UHFFFAOYSA-N;136.2;-0.14;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1_SP1";;;;;;;-0.79;;-5.29;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM421775;MM421775;CN(C=O)C1CC(CN)C1;XDOGBBVYNZULOQ-UHFFFAOYSA-N;142.2;-0.19;;;;;DOPC;MDCG;27;1;"MARTINI bead: SNda_SNd";;;;;;;0.87;;-4.43;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM421776;MM421776;CCC#CCC(=NC)NC;MJEJKHPJMCDLHI-UHFFFAOYSA-N;138.21;1.04;;;;;DOPC;MDCG;27;1;"MARTINI bead: C3_P1";;;;;;;1.74;;-2.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM421777;MM421777;CN1C(C2CC2)C1(C)C#N;GQDCJPBTJKURFY-UHFFFAOYSA-N;136.2;0.99;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC5_SNd";;;;;;;1.64;;0.02;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM421778;MM421778;CC=C(OC)C(C)=NOC;CXPLEDOBJFGCAW-UHFFFAOYSA-N;143.19;1.56;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_C5";;;;;;;1.64;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM421779;MM421779;C=COC1=CC(CF)CC1;FQXHKRVNTRENSC-UHFFFAOYSA-N;142.17;2.41;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC5_SC4";;;;;;;2.97;;0.45;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM421780;MM421780;CN(C=N)C1CC(CF)C1;VZTZHJVOGSPLAT-UHFFFAOYSA-N;144.19;1.27;;;;;DOPC;MDCG;27;1;"MARTINI bead: SNd_SC5";;;;;;;1.64;;-4.17;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM421781;MM421781;C#CC=CNC(=N)C(C)=O;JBMLFOQNBIYGIH-UHFFFAOYSA-N;136.15;0.29;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_N0";;;;;;;0.06;;-2.21;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM421782;MM421782;CN=C(CC#CCO)NC;MEVORWIATRXFGM-UHFFFAOYSA-N;140.19;-0.38;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1_Nda";;;;;;;0.04;;-5.88;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM421783;MM421783;CN1C(C2CN2)C1(C)C#N;GFCREMCBBNPWOA-UHFFFAOYSA-N;137.19;-0.45;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP2_SNd";;;;;;;-0.24;;-3.16;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM421784;MM421784;CON=C(C)C(=CF)OC;XWZGKYLQGIIRJO-UHFFFAOYSA-N;147.15;1.47;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_N0";;;;;;;1.17;;-1.18;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM421785;MM421785;C=COC1=CC(NC)CC1;MIKJZAQFAJPQLH-UHFFFAOYSA-N;139.2;1.41;;;;;DOPC;MDCG;27;1;"MARTINI bead: SNd_SC4";;;;;;;2.2;;-1.61;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM421786;MM421786;CN(C=O)C1CC(CF)C1;VRXVLOQZHDZNFR-UHFFFAOYSA-N;145.18;0.82;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNda_SC5";;;;;;;1.64;;0.05;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM421787;MM421787;C=CC#CC1NC1C(C)F;ZIIAAQKMODXNJJ-UHFFFAOYSA-N;139.17;0.87;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_SP1";;;;;;;0.81;;-0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM421788;MM421788;C=COC1=CC(OC)CC1;VISDSWIMLCIQCW-UHFFFAOYSA-N;140.18;1.84;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNa_SC4";;;;;;;2.2;;0.34;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM421789;MM421789;CN1C(C2CO2)C1(C)C#N;DKFZKQPXKNUNAY-UHFFFAOYSA-N;138.17;-0.02;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP1_SNd";;;;;;;0.04;;-2.63;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM421790;MM421790;CN=C(CC#CCF)NC;OJTAGBVHBFAMMN-UHFFFAOYSA-N;142.18;0.6;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_Na";;;;;;;0.87;;-5.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM421791;MM421791;CNN=C(C)C(=NO)OC;VGEYACONWWOHRW-UHFFFAOYSA-N;145.16;0.02;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nd_P2";;;;;;;-0.24;;-3.16;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM421792;MM421792;N=CN(N)C1CC(CF)C1;CSLCTVFMYNQOCY-UHFFFAOYSA-N;145.18;0.52;;;;;DOPC;MDCG;27;1;"MARTINI bead: SNd_SC5";;;;;;;1.64;;-2.28;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM421793;MM421793;CC(F)C1NC1C#CC#N;KRZPBSUZQCOASO-UHFFFAOYSA-N;138.15;0.21;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_SP2";;;;;;;0.54;;-1.09;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM421794;MM421794;C=CCC1=CC(CC)NC1;URRAUFPHOWWDET-UHFFFAOYSA-N;137.23;1.87;;;;;DOPC;MDCG;27;1;"MARTINI bead: SNd_SN0";;;;;;;1.17;;-4.61;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM421795;MM421795;CCC#CCC(=NC)NN;BMTVKKYDIMXLBQ-UHFFFAOYSA-N;139.2;0.28;;;;;DOPC;MDCG;27;1;"MARTINI bead: C3_P3";;;;;;;0.6;;-2.25;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM421796;MM421796;CC1C(N2CC2)C1(C)C#N;ZNGFNASARZONFD-UHFFFAOYSA-N;136.2;0.85;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP1_SC5";;;;;;;0.81;;-0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM421797;MM421797;CC=C(CC)C(C)=CC#N;IEZUDNULMWRIFL-UHFFFAOYSA-N;135.21;2.81;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1_N0";;;;;;;3.21;;0.46;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM421798;MM421798;NN(C=O)C1CC(CF)C1;UWKGBVCXTYXGKQ-UHFFFAOYSA-N;146.17;0.07;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP1_SC5";;;;;;;0.81;;-0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM421799;MM421799;N#CC#CC1NC1C(F)F;YBNRQFFFGKFLHU-UHFFFAOYSA-N;142.11;0.12;;;;;DOPC;MDCG;27;0;"MARTINI bead: N0_SP2";;;;;;;0.06;;-2.21;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM421800;MM421800;CCC1C=C(CC#N)CN1;QWCQJUDBILDACY-UHFFFAOYSA-N;136.2;1.21;;;;;DOPC;MDCG;27;1;"MARTINI bead: SNd_SP1";;;;;;;0.04;;-5.2;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM421801;MM421801;C=CC1(N)C(C)C1N1CC1;RYCITHBFQDSRLJ-UHFFFAOYSA-N;138.21;0.2;;;;;DOPC;MDCG;27;1;"MARTINI bead: SP1_SNd";;;;;;;0.04;;-4.17;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM421802;MM421802;CN=C(CC#CCO)NN;JHXBFMQLGNHGTH-UHFFFAOYSA-N;141.17;-1.14;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_P2";;;;;;;-0.24;;-4.6;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM421803;MM421803;C=CC=C(C)C(=CC)CN;VRTSVRMHYYYHQK-UHFFFAOYSA-N;137.23;2.02;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_C1";;;;;;;2.91;;-0.04;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM421804;MM421804;C=NN(C)C1CC(CC)C1;ZJFYMYQLGFDMTI-UHFFFAOYSA-N;140.23;1.72;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC2_SN0";;;;;;;3.13;;0.31;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM421805;MM421805;C=CC#CC1OC1C(C)C;BVZYCVXBYJNPSM-UHFFFAOYSA-N;136.19;1.6;;;;;DOPC;MDCG;27;0;"MARTINI bead: C3_SNa";;;;;;;2.57;;0.45;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM421806;MM421806;C=CCC1=CC(CN)NC1;HCCJDJAGCBSGIC-UHFFFAOYSA-N;138.21;0.42;;;;;DOPC;MDCG;27;1;"MARTINI bead: SP2_SN0";;;;;;;0.06;;-5.21;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM421807;MM421807;CN=C(CC#CCF)NN;WOOJLUWFYTVZQU-UHFFFAOYSA-N;143.17;-0.16;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_Na";;;;;;;0.87;;-3.32;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM421808;MM421808;C=CC1(N)C(N)C1N1CC1;NOYLKBNAZVYVPL-UHFFFAOYSA-N;139.2;-1.11;;;;;DOPC;MDCG;27;1;"MARTINI bead: SP1_SP2";;;;;;;-1.06;;-4.95;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM421809;MM421809;NC(=CC=O)C(=CF)CO;GIPCCWLHWLJQBB-UHFFFAOYSA-N;145.13;-0.13;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_Nda";;;;;;;-0.24;;-3.31;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM421810;MM421810;C=NN(C)C1CC(CF)C1;VPXFSUIKTFAJTO-UHFFFAOYSA-N;144.19;1.28;;;;;DOPC;MDCG;27;0;"MARTINI bead: SN0_SC5";;;;;;;1.94;;0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM421811;MM421811;CC(C)C1OC1C#CC#N;ANDXATNFDBUTDT-UHFFFAOYSA-N;135.17;0.94;;;;;DOPC;MDCG;27;0;"MARTINI bead: C3_SNa";;;;;;;2.57;;0.45;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM421812;MM421812;C=CCC1=CC(CO)NC1;HLHFXUCISPVWPV-UHFFFAOYSA-N;139.2;0.45;;;;;DOPC;MDCG;27;1;"MARTINI bead: SP1_SN0";;;;;;;0.34;;-4.37;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM421813;MM421813;C=NNCC1(C#N)CO1;FBIPXPKJJDGLDG-UHFFFAOYSA-N;125.13;-0.52;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_SP1";;;;;;;-1.06;;-3.82;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM421814;MM421814;CCC1NC(C(C)C)C1=O;RBDASNCEHJJDSA-UHFFFAOYSA-N;141.21;0.96;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP1_SNd";;;;;;;0.04;;-2.63;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM421815;MM421815;CC=C(CO)C(F)=CC#N;XLFOYWRHNJEOAT-UHFFFAOYSA-N;141.15;1.3;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda_Na";;;;;;;0.87;;-1.99;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM421816;MM421816;CC(O)C1OC1C#CC#N;YUYRXCFONCJZGO-UHFFFAOYSA-N;137.14;-0.34;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_SNa";;;;;;;0.04;;-2.54;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM421817;MM421817;CNC1CC(N(C)C=N)C1;XLKYHSZIXIXFEL-UHFFFAOYSA-N;141.22;0.28;;;;;DOPC;MDCG;27;1;"MARTINI bead: SNd_SNd";;;;;;;0.87;;-6.34;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM421818;MM421818;CC1=CC(C)(C)CC1(C)O;AKVCIOGVHOOIRV-UHFFFAOYSA-N;140.23;2.11;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC3_SC5";;;;;;;3.34;;0.48;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM421819;MM421819;N#CCC1=CC(CO)NC1;OBLBMYYQJVJLPV-UHFFFAOYSA-N;138.17;-0.21;;;;;DOPC;MDCG;27;1;"MARTINI bead: SP1_SP1";;;;;;;-0.79;;-4.97;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM421820;MM421820;N#CC=C(F)C(=CF)CO;HJEOJLVIWDQKRH-UHFFFAOYSA-N;145.11;1.21;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda_Na";;;;;;;0.87;;-1.99;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM421821;MM421821;CN=C(CC#CCN)NO;QCSXVGCTWLIWPY-UHFFFAOYSA-N;141.17;-0.65;;;;;DOPC;MDCG;27;1;"MARTINI bead: P2_Nd";;;;;;;-0.24;;-4.38;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM421822;MM421822;CNC1CC(N(C)C=O)C1;UCLKACGXYSWGQT-UHFFFAOYSA-N;142.2;-0.18;;;;;DOPC;MDCG;27;1;"MARTINI bead: SNd_SNda";;;;;;;0.87;;-4.54;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM421823;MM421823;C#CC#CC1CC1C(C)C;YNSSHTGYVNXXQN-UHFFFAOYSA-N;132.21;1.92;;;;;DOPC;MDCG;27;0;"MARTINI bead: C3_SC5";;;;;;;3.34;;0.48;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM421824;MM421824;C=CCC1=CC(CF)NC1;JSIXDCHWPAMYHW-UHFFFAOYSA-N;141.19;1.43;;;;;DOPC;MDCG;27;1;"MARTINI bead: SNda_SN0";;;;;;;1.17;;-3.03;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM421825;MM421825;C=CC1(F)C(C)C1N1CC1;CVMMALXJFQXJGN-UHFFFAOYSA-N;141.19;1.21;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP1_SC4";;;;;;;1.37;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM421826;MM421826;C=Nn1oc(=NN)oc1=N;YYDIVRCKVVSMKD-UHFFFAOYSA-N;143.11;-1.61;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_SP2";;;;;;;-1.34;;-4.31;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM421827;MM421827;CCC=C1CC(C)C(O)C1;AUDHYXLGIDUIAI-UHFFFAOYSA-N;140.23;2.11;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC1_SNda";;;;;;;2.91;;0.57;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM421828;MM421828;C#CC#CC1CC1C(C)F;XCGQQCNKRJDMSA-UHFFFAOYSA-N;136.17;1.62;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_SC5";;;;;;;2.41;;0.64;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM421829;MM421829;CNC1CC(N(N)C=N)C1;QGKAATQGSPQERS-UHFFFAOYSA-N;142.21;-0.48;;;;;DOPC;MDCG;27;1;"MARTINI bead: SNd_SNd";;;;;;;0.87;;-4.59;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM421830;MM421830;CCC1C=C(NC=N)CN1;OBCKBMCDKBGPIG-UHFFFAOYSA-N;139.2;0.45;;;;;DOPC;MDCG;27;1;"MARTINI bead: SNd_SP2";;;;;;;-0.24;;-6.6;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM421831;MM421831;CC1N(C2CC2)C1(C)C#N;SAQNLHUTYQBJGX-UHFFFAOYSA-N;136.2;1.14;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP1_SP1";;;;;;;-0.79;;-3.13;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM421832;MM421832;CCC(=NO)C(C)=CC#N;SFOHLYOLMHMFFI-UHFFFAOYSA-N;138.17;1.7;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_P1";;;;;;;0.81;;-0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM421833;MM421833;CCC#CCC(=NO)NO;GHCYLJSCZSUCML-UHFFFAOYSA-N;142.16;0.56;;;;;DOPC;MDCG;27;0;"MARTINI bead: C3_P4";;;;;;;0.52;;-1.59;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM421834;MM421834;C#CC#CC1CC1N(C)C;IJNYKICVYXGKFW-UHFFFAOYSA-N;133.19;0.57;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1_SC5";;;;;;;0.81;;-1.73;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM421835;MM421835;C=NN(C)C1CC(NC)C1;AECLWGILVJRODZ-UHFFFAOYSA-N;141.22;0.28;;;;;DOPC;MDCG;27;1;"MARTINI bead: SNd_SN0";;;;;;;1.17;;-3.56;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM421836;MM421836;C#CC1=CC(C)C(C)(O)C1;SXCMCAFQAWIMOS-UHFFFAOYSA-N;136.19;1.34;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC5_SNda";;;;;;;1.64;;0.05;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM421837;MM421837;N=CNC1=CC(CN)NC1;AQJUDPRYIYGNFX-UHFFFAOYSA-N;140.19;-1;;;;;DOPC;MDCG;27;1;"MARTINI bead: SP2_SP2";;;;;;;-1.34;;-7.7;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM421838;MM421838;CCC(=NO)C(N)=CC#N;RKTBJLFCMKITBM-UHFFFAOYSA-N;139.16;0.59;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda_P1";;;;;;;0.04;;-2.73;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM421839;MM421839;CC=C(CC#CCC)OC;FRTCPRKZWLQATR-UHFFFAOYSA-N;138.21;2.34;;;;;DOPC;MDCG;27;0;"MARTINI bead: C3_C5";;;;;;;3.34;;0.48;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM421840;MM421840;C#CC#CC1NC1C(C)C;ODQFBQONALSEPK-UHFFFAOYSA-N;133.19;0.62;;;;;DOPC;MDCG;27;0;"MARTINI bead: C3_SNd";;;;;;;2.57;;0.55;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM421841;MM421841;COC1CC(N(C)C=O)C1;RAMZOXKDORIBLP-UHFFFAOYSA-N;143.19;0.25;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNa_SNda";;;;;;;0.87;;-1.99;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM421842;MM421842;C#CC1(N)C(C)C1C1CC1;JIZDLLKJNRVZIE-UHFFFAOYSA-N;135.21;0.99;;;;;DOPC;MDCG;27;1;"MARTINI bead: SC5_SNd";;;;;;;1.64;;-1.62;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM421843;MM421843;N=CNC1=CC(CO)NC1;YCZJXRZJRCKPFT-UHFFFAOYSA-N;141.17;-0.97;;;;;DOPC;MDCG;27;1;"MARTINI bead: SP1_SP2";;;;;;;-1.06;;-7.19;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM421844;MM421844;CC=C(CC#CCN)OC;DVXUFGVAOJMHHO-UHFFFAOYSA-N;139.2;0.89;;;;;DOPC;MDCG;27;1;"MARTINI bead: C5_Nd";;;;;;;1.64;;-1.39;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM421845;MM421845;N#CC=C(N)C(CO)=NO;IDGYYRUURGSYRK-UHFFFAOYSA-N;141.13;-0.82;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_P2";;;;;;;-1.06;;-3.82;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM421846;MM421846;C#CC#CC1NC1C(C)N;PRGNZKZWTAPSPU-UHFFFAOYSA-N;134.18;-0.69;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1_SNd";;;;;;;0.04;;-4.79;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM421847;MM421847;COC1CC(N(N)C=O)C1;GAVIFQGYZJUCBY-UHFFFAOYSA-N;144.17;-0.5;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNa_SP1";;;;;;;0.04;;-2.54;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM421848;MM421848;C#CC1(N)C(N)C1C1CC1;QIZSKMNRLWSURG-UHFFFAOYSA-N;136.2;-0.32;;;;;DOPC;MDCG;27;1;"MARTINI bead: SC5_SP2";;;;;;;0.54;;-2.62;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM421849;MM421849;N=CNC1=CC(CF)NC1;NAEHIJBDMYQYEW-UHFFFAOYSA-N;143.17;0.01;;;;;DOPC;MDCG;27;1;"MARTINI bead: SNda_SP2";;;;;;;-0.24;;-6.65;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM421850;MM421850;CC=C(CC#CCO)OC;QWJQZEYERNVOMR-UHFFFAOYSA-N;140.18;0.92;;;;;DOPC;MDCG;27;0;"MARTINI bead: C3_P2";;;;;;;1.46;;-0.15;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM421851;MM421851;C=Nn1oc(=NN)oc1=O;FCLCQLKQFVCUKH-UHFFFAOYSA-N;144.09;-1.73;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_SP2";;;;;;;-1.34;;-4.31;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM421852;MM421852;C=NN(C)C1CC(OC)C1;MLOTZQPLNLSPOM-UHFFFAOYSA-N;142.2;0.71;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNa_SN0";;;;;;;1.17;;-1.18;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM421853;MM421853;C#CC#CC1OC1C(C)C;JOKYNBCRGVFPPV-UHFFFAOYSA-N;134.18;1.05;;;;;DOPC;MDCG;27;0;"MARTINI bead: C3_SNa";;;;;;;2.57;;0.45;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM421854;MM421854;C#CC1(O)C(C)C1C1CC1;HROIUXLHZPBPOJ-UHFFFAOYSA-N;136.19;1.03;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC5_SNda";;;;;;;1.64;;0.05;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM421855;MM421855;C=COC1=CC(CN)NC1;CUYRRYJFINTMEU-UHFFFAOYSA-N;140.19;-0.04;;;;;DOPC;MDCG;27;1;"MARTINI bead: SP2_SNa";;;;;;;-0.24;;-5.49;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM421856;MM421856;CC=C(CC#CCF)OC;JLUXNGGQTSMSAB-UHFFFAOYSA-N;142.17;1.9;;;;;DOPC;MDCG;27;0;"MARTINI bead: C3_Na";;;;;;;2.57;;0.45;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM421857;MM421857;CCOC(=NO)C(F)F;OTGGMEAMAYATKC-UHFFFAOYSA-N;139.1;1.08;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda_N0";;;;;;;1.17;;-6.02;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM421858;MM421858;CCN1CC(N(C)C=N)C1;KPAOQVIAQGHJOT-UHFFFAOYSA-N;141.22;0.23;;;;;DOPC;MDCG;27;1;"MARTINI bead: SNd_SP3";;;;;;;-1.1;;-7.49;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM421859;MM421859;C#CC#CC1OC1C(C)O;FBAYIRIYCINYCF-UHFFFAOYSA-N;136.15;-0.23;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_SNa";;;;;;;0.04;;-2.54;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM421860;MM421860;C#CC1(F)C(C)C1C1CC1;OQIYCHZYQFMHSW-UHFFFAOYSA-N;138.19;2;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC5_SNa";;;;;;;1.64;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM421861;MM421861;C=COC1=CC(CO)NC1;OJKAKYDICXXEPR-UHFFFAOYSA-N;141.17;-0.01;;;;;DOPC;MDCG;27;1;"MARTINI bead: SP1_SNa";;;;;;;0.04;;-4.36;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM421862;MM421862;CCC#CCC(=CF)OC;HHUMBKNEYKOIRG-UHFFFAOYSA-N;142.17;2.25;;;;;DOPC;MDCG;27;0;"MARTINI bead: C3_N0";;;;;;;2.87;;0.37;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM421863;MM421863;COC(=CF)C(C)=CC=O;HZVCQYWNAJVGJL-UHFFFAOYSA-N;144.15;1.59;;;;;DOPC;MDCG;27;0;"MARTINI bead: N0_Na";;;;;;;1.17;;-1.18;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM421864;MM421864;CCN1CC(N(N)C=N)C1;PYABRKASDJNKLY-UHFFFAOYSA-N;142.21;-0.53;;;;;DOPC;MDCG;27;1;"MARTINI bead: SNd_SP3";;;;;;;-1.1;;-5.72;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM421865;MM421865;C=CCC1=CC(CC)OC1;QXUAZKDIQRFNIT-UHFFFAOYSA-N;138.21;2.3;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNa_SC5";;;;;;;1.64;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM421866;MM421866;C#CC#CC1CN1C(C)C;OGPDIPOKMVYOIO-UHFFFAOYSA-N;133.19;0.72;;;;;DOPC;MDCG;27;0;"MARTINI bead: C3_SNd";;;;;;;2.57;;0.53;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM421867;MM421867;C#CC1(C)C(C)C1C1CO1;VMIQSGZSIGABIP-UHFFFAOYSA-N;136.19;1.29;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNa_SC4";;;;;;;2.2;;0.34;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM421868;MM421868;COC(=CF)CC#CCN;JRFDCUSDNRSCQZ-UHFFFAOYSA-N;143.16;0.8;;;;;DOPC;MDCG;27;1;"MARTINI bead: N0_Nd";;;;;;;1.17;;-2.53;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM421869;MM421869;COC(=CF)C(C)=CC#N;XELTZKLPGRHEQB-UHFFFAOYSA-N;141.15;1.91;;;;;DOPC;MDCG;27;0;"MARTINI bead: N0_N0";;;;;;;1.47;;-0.05;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM421870;MM421870;C=CC(C)N1CC(CC)C1;KOGBSFNPAFJAKH-UHFFFAOYSA-N;139.24;1.9;;;;;DOPC;MDCG;27;1;"MARTINI bead: SN0_SNd";;;;;;;1.17;;-2.71;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM421871;MM421871;CCC1C=C(CC#N)CO1;WTYPMJJMIRZFDA-UHFFFAOYSA-N;137.18;1.64;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNa_SN0";;;;;;;1.17;;-1.18;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM421872;MM421872;C=C(C)C1CC1C#CCC;YQPQKHMDOUFMPC-UHFFFAOYSA-N;134.22;2.61;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC4_C4";;;;;;;3.53;;0.53;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM421873;MM421873;C#CC1(C)C(N)C1C1CO1;GJSDXASMMMMFKJ-UHFFFAOYSA-N;137.18;-0.02;;;;;DOPC;MDCG;27;1;"MARTINI bead: SNd_SP1";;;;;;;0.04;;-4.87;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM421874;MM421874;COC(=CF)CC#CCO;BYWCFJICJGAARU-UHFFFAOYSA-N;144.15;0.83;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_P2";;;;;;;0.54;;-1.09;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM421875;MM421875;CC=C(OC)C(N)=CC=O;DNECWQWZSDOULW-UHFFFAOYSA-N;141.17;0.58;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_P2";;;;;;;0.54;;-1.09;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM421876;MM421876;C=CC(C)N1CC(CN)C1;WIOAXKYWPVVUPU-UHFFFAOYSA-N;140.23;0.45;;;;;DOPC;MDCG;27;1;"MARTINI bead: SNd_SP2";;;;;;;-0.24;;-5.61;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM421877;MM421877;C=CCC1=CC(CN)OC1;ZDRUQFGIGGPJAB-UHFFFAOYSA-N;139.2;0.85;;;;;DOPC;MDCG;27;1;"MARTINI bead: SP1_SC5";;;;;;;0.81;;-2.51;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM421878;MM421878;CCC#CC1CN1C(C)=N;YWXLMIOCKRCHFS-UHFFFAOYSA-N;136.2;1.08;;;;;DOPC;MDCG;27;1;"MARTINI bead: C3_SP1";;;;;;;1.74;;-1.5;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM421879;MM421879;C#CC1(O)C(C)C1C1CO1;MSHBHWOWRSCWCH-UHFFFAOYSA-N;138.17;0.02;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP1_SNda";;;;;;;0.04;;-2.73;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM421880;MM421880;COC(=CF)CC#CCF;ASEFHRDCZCFIBF-UHFFFAOYSA-N;146.14;1.81;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_Na";;;;;;;1.64;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM421881;MM421881;CC=C(OC)C(N)=CC#N;FUXSUORVZCQKMF-UHFFFAOYSA-N;138.17;0.9;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_P1";;;;;;;0.81;;-0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM421882;MM421882;C=CCC1=CC(CO)OC1;SURNEJRECJEGCU-UHFFFAOYSA-N;140.18;0.88;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP1_SC5";;;;;;;0.81;;-0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM421883;MM421883;C=CC(C)N1CC(NC)C1;IGMOCYDWVFYSLE-UHFFFAOYSA-N;140.23;0.46;;;;;DOPC;MDCG;27;1;"MARTINI bead: SP2_SNd";;;;;;;-0.24;;-4.97;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM421884;MM421884;CC(=N)N1CC1C#CCN;QFUNLZDKOSRGLH-UHFFFAOYSA-N;137.19;-0.37;;;;;DOPC;MDCG;27;1;"MARTINI bead: SP1_Nd";;;;;;;0.04;;-4.83;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM421885;MM421885;C#CC1(F)C(C)C1C1CO1;KKAKHBLTDADHPL-UHFFFAOYSA-N;140.16;0.99;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP1_SNa";;;;;;;0.04;;-2.54;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM421886;MM421886;Cn1nc(N)oc(=O)c1=O;FMXXTPQKWIBIMB-UHFFFAOYSA-N;143.1;-1.68;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP3_SP3";;;;;;;-3.07;;-6.15;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM421887;MM421887;COC(=CF)C(F)=CC#N;PANCDGPITFJTCS-UHFFFAOYSA-N;145.11;1.82;;;;;DOPC;MDCG;27;0;"MARTINI bead: N0_Na";;;;;;;1.17;;-1.18;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM421888;MM421888;N#CCC1=CC(CO)OC1;FYCPLVZNPJLAJT-UHFFFAOYSA-N;139.15;0.22;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP1_SN0";;;;;;;0.34;;-1.53;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM421889;MM421889;CCC1CN(N(C)C=N)C1;QUJNHPSWBGPPEY-UHFFFAOYSA-N;141.22;0.78;;;;;DOPC;MDCG;27;1;"MARTINI bead: SN0_SP2";;;;;;;0.06;;-4.93;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM421890;MM421890;C#CC1(C)C(C2CC2)N1C;NTCMVTMKYAEMCA-UHFFFAOYSA-N;135.21;1.1;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC5_SNd";;;;;;;1.64;;0.03;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM421891;MM421891;CCC#CC1CN1C(C)=O;WYYUNDKQGVOBKL-UHFFFAOYSA-N;137.18;0.63;;;;;DOPC;MDCG;27;0;"MARTINI bead: C3_SP2";;;;;;;1.46;;-0.15;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM421892;MM421892;CCC1(C)CN1C(C)C=O;AYUDRCQBNHTANT-UHFFFAOYSA-N;141.21;1.06;;;;;DOPC;MDCG;27;0;"MARTINI bead: SN0_P2";;;;;;;0.06;;-2.21;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM421893;MM421893;N#CCC1=CC(CF)OC1;CWCPFWXTOJCPNS-UHFFFAOYSA-N;141.15;1.19;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNa_SN0";;;;;;;1.17;;-1.18;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM421894;MM421894;C#CC12NC1CC(=O)C2=C;GPGUNOUNRYFPNM-UHFFFAOYSA-N;133.15;-0.14;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNa_SNd";;;;;;;0.87;;-1.88;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM421895;MM421895;C#CC1(C)C(C2CO2)N1C;CTSZRCCXMWYKBI-UHFFFAOYSA-N;137.18;0.09;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP1_SNd";;;;;;;0.04;;-2.63;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM421896;MM421896;CCC#CC1CN1C(=N)N;ZWBRATWPLZSYKW-UHFFFAOYSA-N;137.19;-0.02;;;;;DOPC;MDCG;27;1;"MARTINI bead: C3_SP2";;;;;;;1.46;;-3.49;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM421897;MM421897;CCC1CN(N(C)C=O)C1;WSYOQMQUXFPUBG-UHFFFAOYSA-N;142.2;0.33;;;;;DOPC;MDCG;27;0;"MARTINI bead: SN0_SP2";;;;;;;0.06;;-2.21;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM421898;MM421898;CCC(=O)C1NC1(C)CC;VEXDXAWRKLQHPP-UHFFFAOYSA-N;141.21;1.11;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_SNd";;;;;;;0.87;;-1.88;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM421899;MM421899;C=CCC1=CC(OC)OC1;SWCDOBWRFCOTNC-UHFFFAOYSA-N;140.18;1.49;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNa_SC5";;;;;;;1.64;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM421900;MM421900;COC(=NO)C(C)=CC#N;DRVVCASYIPXHJM-UHFFFAOYSA-N;140.14;0.89;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_N0";;;;;;;0.06;;-2.21;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM421901;MM421901;CC(=NN)C(=O)OC(C)C;PBUZPVKWNPHHFM-UHFFFAOYSA-N;144.17;0.27;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_Nd";;;;;;;0.87;;-1.88;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM421902;MM421902;C=C(C)C1CC1C#CC#N;YNOBNMQNZGNHIR-UHFFFAOYSA-N;131.18;1.73;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4_SN0";;;;;;;2.5;;0.44;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM421903;MM421903;CN(C=N)N1CC(CN)C1;PAXLRPVTHSULRC-UHFFFAOYSA-N;142.21;-0.67;;;;;DOPC;MDCG;27;1;"MARTINI bead: SP2_SP2";;;;;;;-1.34;;-7.12;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM421904;MM421904;CCC#CCC(=NO)OC;ZEQLVVYXGUYEKV-UHFFFAOYSA-N;141.17;1.22;;;;;DOPC;MDCG;27;0;"MARTINI bead: C3_P2";;;;;;;1.46;;-0.14;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM421905;MM421905;Nc1n[nH]n(O)c(=O)c1=O;XZLUEYFJMQSJGL-UHFFFAOYSA-N;144.09;-2.25;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP2_SP3";;;;;;;-2.2;;-9.49;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM421906;MM421906;COC1C=C(CC#N)CO1;HBGLXQWDSFZXNI-UHFFFAOYSA-N;139.15;0.83;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNa_SN0";;;;;;;1.17;;-1.18;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM421907;MM421907;C#CC1(F)C(C)C1N1CC1;BUTVCRMDTKCNLA-UHFFFAOYSA-N;139.17;0.66;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP1_SNa";;;;;;;0.04;;-2.54;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM421908;MM421908;CN(C=O)N1CC(CN)C1;AXZOIYQMMIPILI-UHFFFAOYSA-N;143.19;-1.12;;;;;DOPC;MDCG;27;1;"MARTINI bead: SP2_SP2";;;;;;;-1.34;;-6.44;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM421909;MM421909;C=CC#CC1CC1C(=N)N;IOSBWHXBXXLVQP-UHFFFAOYSA-N;134.18;0.75;;;;;DOPC;MDCG;27;1;"MARTINI bead: P2_SC4";;;;;;;1.09;;-5.03;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM421910;MM421910;C=NN=C(C)C(=CC)CN;QNPRFSYFTGCHFG-UHFFFAOYSA-N;139.2;0.97;;;;;DOPC;MDCG;27;1;"MARTINI bead: C5_P1";;;;;;;0.81;;-2.33;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM421911;MM421911;C=CC#CCC(=CC)CC;PETPSAPRANUGII-UHFFFAOYSA-N;134.22;2.92;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1_C4";;;;;;;4.24;;0.42;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM421912;MM421912;CCC1C=C(NC=N)CO1;HPVOEPYTZNWYIM-UHFFFAOYSA-N;140.19;0.88;;;;;DOPC;MDCG;27;1;"MARTINI bead: SNa_SP1";;;;;;;0.04;;-5.64;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM421913;MM421913;N#CC#CC1CC1C(=N)N;XRMNLHCCKISFNE-UHFFFAOYSA-N;133.15;0.09;;;;;DOPC;MDCG;27;1;"MARTINI bead: P2_SN0";;;;;;;0.06;;-6.8;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM421914;MM421914;CCC1(C)CC1CC1CC1;ZHTHVXHEIFQNJR-UHFFFAOYSA-N;138.25;3.22;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC3_SC5";;;;;;;3.34;;0.48;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM421915;MM421915;CN(C=N)N1CC(CO)C1;YMBRMXMLNNZQRW-UHFFFAOYSA-N;143.19;-0.64;;;;;DOPC;MDCG;27;1;"MARTINI bead: SP2_SP2";;;;;;;-1.34;;-7.03;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM421916;MM421916;C=NN=C(C)C(=CF)CN;FDALBTNSUWSLRU-UHFFFAOYSA-N;143.17;0.88;;;;;DOPC;MDCG;27;1;"MARTINI bead: C5_P1";;;;;;;0.81;;-2.25;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM421917;MM421917;N=CNC1=CC(CN)OC1;AGIGOCCEECZATR-UHFFFAOYSA-N;141.17;-0.58;;;;;DOPC;MDCG;27;1;"MARTINI bead: SP1_SP1";;;;;;;-0.79;;-6.25;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM421918;MM421918;CC=C(CC)CC#CC=O;YVMJORDFHDNVIJ-UHFFFAOYSA-N;136.19;1.94;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1_P1";;;;;;;2.08;;0.48;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM421919;MM421919;C=CC#CC1CC1C(N)=O;NDMOZMLJRUVDLM-UHFFFAOYSA-N;135.17;0.3;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_SC4";;;;;;;1.09;;-0.38;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM421920;MM421920;C#CCN(N)C(=O)C=NN;TZKADHFKSBNWDD-UHFFFAOYSA-N;140.15;-1.73;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_P2";;;;;;;-1.06;;-3.82;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM421921;MM421921;C#CC(C#C)(C#C)NN=C;WYSSLRLMMWSIDT-UHFFFAOYSA-N;130.15;-0.17;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_C5";;;;;;;0.81;;-0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM421922;MM421922;CC=C(CC)CC#CC#N;ZOONGJMIEFSLIO-UHFFFAOYSA-N;133.19;2.26;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1_N0";;;;;;;3.21;;0.46;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM421923;MM421923;N=CNC1=CC(CO)OC1;UVRSLGKYQOMDAR-UHFFFAOYSA-N;142.16;-0.54;;;;;DOPC;MDCG;27;1;"MARTINI bead: SP1_SP1";;;;;;;-0.79;;-6.22;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM421924;MM421924;C=NN=C(C)C(=CC)CO;QVJUTAHCSGYRNG-UHFFFAOYSA-N;140.19;1;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda_C5";;;;;;;1.64;;0.05;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM421925;MM421925;N#CC#CC1CC1C(N)=O;NRQRNNPWYOOJJR-UHFFFAOYSA-N;134.14;-0.37;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_SN0";;;;;;;0.06;;-2.21;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM421926;MM421926;CCC1(N)CC1CC1CC1;XUVXQPQVHNSKAM-UHFFFAOYSA-N;139.24;1.91;;;;;DOPC;MDCG;27;1;"MARTINI bead: SNd_SC5";;;;;;;1.64;;-2.81;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM421927;MM421927;CN(C=N)N1CC(CF)C1;KWMZGSRGIDBTKO-UHFFFAOYSA-N;145.18;0.34;;;;;DOPC;MDCG;27;1;"MARTINI bead: SP2_SP1";;;;;;;-1.06;;-6.53;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM421928;MM421928;C=NN=C(C)C(CC)=NO;VZVOTWBRZOHTFQ-UHFFFAOYSA-N;141.17;1.3;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_P1";;;;;;;0.81;;-0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM421929;MM421929;C=CC#CCC(=CF)CC;WCZMJLHAYFZVBY-UHFFFAOYSA-N;138.19;2.83;;;;;DOPC;MDCG;27;0;"MARTINI bead: C3_C4";;;;;;;3.9;;0.47;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM421930;MM421930;N=CNC1=CC(CF)OC1;FSLYNDRQGKCAIG-UHFFFAOYSA-N;144.15;0.44;;;;;DOPC;MDCG;27;1;"MARTINI bead: SNa_SP1";;;;;;;0.04;;-5.62;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM421931;MM421931;N#CC#CC1CC1C(=O)O;VZISBFMKHVPRGL-UHFFFAOYSA-N;135.12;0.23;;;;;DOPC;MDCG;27;-1;"MARTINI bead: P1_SN0";;;;;;;0.34;;-6.95;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM421932;MM421932;COC1CN(N(C)C=N)C1;XDMQEIIXZDEBOJ-UHFFFAOYSA-N;143.19;-0.23;;;;;DOPC;MDCG;27;1;"MARTINI bead: SP2_SP2";;;;;;;-1.34;;-7;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM421933;MM421933;NCC1(N)CC1CC1CC1;NULZVUBGDWQCKT-UHFFFAOYSA-N;140.23;0.46;;;;;DOPC;MDCG;27;1;"MARTINI bead: SP2_SC5";;;;;;;0.54;;-3.45;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM421934;MM421934;CCC(=CF)CC#CC=O;BMDSQUQMWLIFDG-UHFFFAOYSA-N;140.16;1.84;;;;;DOPC;MDCG;27;0;"MARTINI bead: C2_P1";;;;;;;2;;0.29;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM421935;MM421935;O=CC1C=CC2(CF)CN12;RYHOIWSNLPNDFS-UHFFFAOYSA-N;141.15;0.15;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNa_SP2";;;;;;;-0.24;;-3.24;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM421936;MM421936;C=COC1=CC(CC)OC1;BKLABNXMQRTPKP-UHFFFAOYSA-N;140.18;1.84;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNa_SNa";;;;;;;0.87;;-2.22;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM421937;MM421937;C=C(F)C1CC1C#CC#N;XQXTZHQNEUTOMJ-UHFFFAOYSA-N;135.14;1.63;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_SN0";;;;;;;1.94;;0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM421938;MM421938;COC1CN(N(C)C=O)C1;FKWXIFRQILTPTH-UHFFFAOYSA-N;144.17;-0.68;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP2_SP2";;;;;;;-1.34;;-4.31;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM421939;MM421939;CCC(=CF)CC#CC#N;JXECATREKLHDEL-UHFFFAOYSA-N;137.16;2.17;;;;;DOPC;MDCG;27;0;"MARTINI bead: C3_N0";;;;;;;2.87;;0.37;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM421940;MM421940;C=NN=C(C)C(=CF)OC;NIUASVAXMZNNKS-UHFFFAOYSA-N;144.15;1.52;;;;;DOPC;MDCG;27;0;"MARTINI bead: N0_C5";;;;;;;1.94;;0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM421941;MM421941;NCC1(O)CC1CC1CC1;WRTKUYZWETYONT-UHFFFAOYSA-N;141.21;0.5;;;;;DOPC;MDCG;27;1;"MARTINI bead: SP2_SC5";;;;;;;0.54;;-3.3;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM421942;MM421942;CCC1C=C(CC#N)OC1;BEPMMTWIUKRNCK-UHFFFAOYSA-N;137.18;1.84;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC5_SNa";;;;;;;1.64;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM421943;MM421943;C=CC1CC(C(C)CC)C1;VHYJLQHGOSPBIM-UHFFFAOYSA-N;138.25;3.24;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC1_SC4";;;;;;;4.24;;0.42;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM421944;MM421944;C=C(C)C1NC1C#CC#N;KHANQJKXBPGCSE-UHFFFAOYSA-N;132.17;0.43;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4_SP2";;;;;;;1.09;;-0.38;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM421945;MM421945;CON=C(C=O)CF;YIHZJHFLQQDRLB-UHFFFAOYSA-N;119.1;0.16;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_P2";;;;;;;-0.24;;-3.24;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM421946;MM421946;C=CC#CCC(=CC)CN;LJXYQPJFQZBPEA-UHFFFAOYSA-N;135.21;1.47;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_C4";;;;;;;2.2;;-1.64;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM421947;MM421947;C=CCC1=CC(CN)CO1;VVWAUZHEZHOMDV-UHFFFAOYSA-N;139.2;1.05;;;;;DOPC;MDCG;27;1;"MARTINI bead: SP1_SC5";;;;;;;0.81;;-3.18;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM421948;MM421948;CNC1(C)CC1CC1CC1;CUHRBSHCSZDWQN-UHFFFAOYSA-N;139.24;1.78;;;;;DOPC;MDCG;27;1;"MARTINI bead: SNd_SC5";;;;;;;1.64;;-2.79;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM421949;MM421949;C=CC1CC(C(C)CC)N1;KBPRHCOUGNANPI-UHFFFAOYSA-N;139.24;1.95;;;;;DOPC;MDCG;27;1;"MARTINI bead: SC5_SNd";;;;;;;1.64;;-2.85;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM421950;MM421950;N#CC#CC1NC1C(=N)N;FMXRBPPXKVXSLD-UHFFFAOYSA-N;134.14;-1.21;;;;;DOPC;MDCG;27;1;"MARTINI bead: P3_SP2";;;;;;;-2.2;;-8.33;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM421951;MM421951;C#CC=C(C)C(=CC)CC;SOSHJVIUYWXYEB-UHFFFAOYSA-N;134.22;2.92;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1_C4";;;;;;;4.24;;0.42;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM421952;MM421952;C=CCC1=CC(CO)CO1;IETQPQLOLBDNFD-UHFFFAOYSA-N;140.18;1.09;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP1_SC5";;;;;;;0.81;;-0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM421953;MM421953;C=CC#CCC(=CF)CN;FDEPPDKRBZSNGO-UHFFFAOYSA-N;139.17;1.38;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1_C4";;;;;;;1.37;;-2.08;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM421954;MM421954;CCC1(N)CC1NC1CC1;WFLHOFXRXDCMMW-UHFFFAOYSA-N;140.23;0.62;;;;;DOPC;MDCG;27;1;"MARTINI bead: SNd_SP1";;;;;;;0.04;;-4.98;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM421955;MM421955;CCC(C)C1CC(C=O)N1;RLPJFOLZRNCIDL-UHFFFAOYSA-N;141.21;0.96;;;;;DOPC;MDCG;27;1;"MARTINI bead: SC5_SP2";;;;;;;0.54;;-2.8;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM421956;MM421956;CC(C(=O)CCF)=C(N)N;SQJUQGHLVJTUJU-UHFFFAOYSA-N;146.17;0.06;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_P1";;;;;;;-0.79;;-3.13;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM421957;MM421957;C=CC#CCC(=CC)CO;JRTFWPYCWDTGFA-UHFFFAOYSA-N;136.19;1.5;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda_C4";;;;;;;2.2;;0.49;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM421958;MM421958;N#CCC1=CC(CO)CO1;YXUHTVQDZSLKMB-UHFFFAOYSA-N;139.15;0.42;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP1_SNa";;;;;;;0.04;;-2.54;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM421959;MM421959;C#CC=C(C)C(CC)=NO;SIRYHDXGFPKEFW-UHFFFAOYSA-N;137.18;1.81;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda_C4";;;;;;;2.2;;0.49;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM421960;MM421960;CNC1(C)CC1CC1CN1;XASXBZDYGKYXDF-UHFFFAOYSA-N;140.23;0.35;;;;;DOPC;MDCG;27;1;"MARTINI bead: SNd_SP1";;;;;;;0.04;;-5.51;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM421961;MM421961;C=CC1CC(C(C)CC)O1;KDJONQUBWGRCOV-UHFFFAOYSA-N;140.23;2.38;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC5_SN0";;;;;;;1.94;;0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM421962;MM421962;C=CCC1=CC(CF)CO1;BEFFXNHIZUBHAB-UHFFFAOYSA-N;142.17;2.06;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNa_SC5";;;;;;;1.64;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM421963;MM421963;CCCn1nc(N)c(=O)o1;NLZQXPKTWYCTLP-UHFFFAOYSA-N;143.15;-0.17;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP2_SP1";;;;;;;-1.06;;-3.82;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM421964;MM421964;CC=C(CO)CC#CC=O;ILBGKFUUFAJKHX-UHFFFAOYSA-N;138.17;0.52;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_P1";;;;;;;0.81;;-0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM421965;MM421965;C#CC=C(C)C(=NO)NO;XQRRCELRLJRSGA-UHFFFAOYSA-N;140.14;0.33;;;;;DOPC;MDCG;27;0;"MARTINI bead: N0_P1";;;;;;;0.34;;-1.53;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM421966;MM421966;CCC1(C)CC1CC1CO1;VRYIVDUQSMIMBB-UHFFFAOYSA-N;140.23;2.21;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC3_SNa";;;;;;;2.57;;0.45;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM421967;MM421967;C=CC1CC(C(N)CO)O1;JBJRAEUKGINERM-UHFFFAOYSA-N;143.19;-0.35;;;;;DOPC;MDCG;27;1;"MARTINI bead: SP2_SNa";;;;;;;-0.24;;-5;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM421968;MM421968;N#CCC1=CC(CF)CO1;MNSGNLAVGDYCON-UHFFFAOYSA-N;141.15;1.4;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNa_SNa";;;;;;;0.87;;-2.22;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM421969;MM421969;CC=C(CO)CC#CC#N;KYTUUUFFFUGJGJ-UHFFFAOYSA-N;135.17;0.84;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda_N0";;;;;;;1.17;;-1.13;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM421970;MM421970;CNn1[nH]nc(F)c1=O;GBVOCIDMZBBQDK-UHFFFAOYSA-N;132.1;-1.12;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP3_SP1";;;;;;;-1.93;;-9.09;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM421971;MM421971;CC1=CC2C(C)C2(O)C1;DJWZICDKTMNPAL-UHFFFAOYSA-N;124.18;1.33;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC4_SNda";;;;;;;2.2;;0.49;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM421972;MM421972;NCC1(N)CC1CC1CO1;RIFPDUAWHRLIHV-UHFFFAOYSA-N;142.2;-0.55;;;;;DOPC;MDCG;27;1;"MARTINI bead: SP2_SNa";;;;;;;-0.24;;-5.59;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM421973;MM421973;C=CC1CC(N(C)CC)C1;MPQAIOZJXWXVAL-UHFFFAOYSA-N;139.24;1.9;;;;;DOPC;MDCG;27;1;"MARTINI bead: SC5_SC4";;;;;;;2.97;;0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM421974;MM421974;CNN=c1cnoc(O)n1;FBIQSKLAEYMUCI-UHFFFAOYSA-N;142.12;-1.19;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP3_SP2";;;;;;;-2.2;;-9.64;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM421975;MM421975;C=CC#CCC(=CF)CO;POXMRKHZIHQMAU-UHFFFAOYSA-N;140.16;1.41;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda_N0";;;;;;;1.17;;-1.13;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM421976;MM421976;C=CCC1=CC(NC)CO1;MOHDSJKUKKUURT-UHFFFAOYSA-N;139.2;1.06;;;;;DOPC;MDCG;27;1;"MARTINI bead: SP1_SC5";;;;;;;0.81;;-1.96;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM421977;MM421977;CNC1(C)CC1CC1CO1;NHLPYQUSKUHWRX-UHFFFAOYSA-N;141.21;0.77;;;;;DOPC;MDCG;27;1;"MARTINI bead: SNd_SNa";;;;;;;0.87;;-4.76;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM421978;MM421978;C=CC(=CC)C(C)=CCC;GJDPPTPNVMPTEE-UHFFFAOYSA-N;136.24;3.48;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1_C1";;;;;;;4.95;;0.69;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM421979;MM421979;CCN(C)C1CC(C=O)C1;NXPSLNHINMNDGN-UHFFFAOYSA-N;141.21;0.92;;;;;DOPC;MDCG;27;1;"MARTINI bead: SC5_SNa";;;;;;;1.64;;-1.79;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM421980;MM421980;C=CC#CC1NC1C(=C)F;VEMKKUBAXCKYOR-UHFFFAOYSA-N;137.16;1;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_SP1";;;;;;;0.81;;-0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM421981;MM421981;C=CC#CCC(=CC)CF;CSTJNTQVVALAEM-UHFFFAOYSA-N;138.19;2.48;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4_C4";;;;;;;3.53;;0.53;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM421982;MM421982;C=CCC1=CC(OC)CO1;ODVARPJXVAIGHU-UHFFFAOYSA-N;140.18;1.49;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNa_SC5";;;;;;;1.64;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM421983;MM421983;CC1(CN)NC1CC1CC1;ULZWPHPVXGLVRP-UHFFFAOYSA-N;140.23;0.48;;;;;DOPC;MDCG;27;1;"MARTINI bead: SP2_SC5";;;;;;;0.54;;-3.07;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM421984;MM421984;C=CC(=CC)C(C)=CCN;FBVDXLVABKIMSO-UHFFFAOYSA-N;137.23;2.02;;;;;DOPC;MDCG;27;1;"MARTINI bead: C1_Nd";;;;;;;2.91;;-0.07;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM421985;MM421985;CCC(C)C1CN(C=N)C1;AHPLYXRFERUARI-UHFFFAOYSA-N;140.23;1.57;;;;;DOPC;MDCG;27;1;"MARTINI bead: SC5_SP1";;;;;;;0.81;;-4.55;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM421986;MM421986;C=C(F)C1NC1C#CC#N;CBCXBULDYQOYMR-UHFFFAOYSA-N;136.13;0.34;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_SP2";;;;;;;0.54;;-1.09;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM421987;MM421987;COC1C=C(CC#N)OC1;YTEDPEXZAKAFHD-UHFFFAOYSA-N;139.15;0.83;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNa_SNa";;;;;;;0.87;;-2.22;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM421988;MM421988;CC=C(CF)CC#CC=O;UYPHKBGBZQFEFR-UHFFFAOYSA-N;140.16;1.49;;;;;DOPC;MDCG;27;0;"MARTINI bead: C3_P1";;;;;;;1.74;;0.29;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM421989;MM421989;C=CC(=CC)C(C)=CCO;MQVBIIRZDCPIHB-UHFFFAOYSA-N;138.21;2.06;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1_Nda";;;;;;;2.91;;0.57;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM421990;MM421990;CCC1(C)OC1CC1CC1;GVTXYTJHOBUKKD-UHFFFAOYSA-N;140.23;2.35;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNa_SC5";;;;;;;1.64;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM421991;MM421991;CCC(C)C1CN(C=O)C1;WQRGTBYACLJXPD-UHFFFAOYSA-N;141.21;1.12;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC5_SP1";;;;;;;0.81;;-0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM421992;MM421992;C=CC#CC1OC1C(=C)C;ITUDVASELDXITP-UHFFFAOYSA-N;134.18;1.52;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4_SNa";;;;;;;2.2;;0.34;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM421993;MM421993;C=CN=C1CCC(CC)N1;WMUCJCWBFPNDPD-UHFFFAOYSA-N;138.21;1.69;;;;;DOPC;MDCG;27;1;"MARTINI bead: SN0_SNd";;;;;;;1.17;;-4.95;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM421994;MM421994;C=CC(=CC)C(C)=CCF;YBVFCPYWCXHIEB-UHFFFAOYSA-N;140.2;3.03;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1_C4";;;;;;;4.24;;0.42;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM421995;MM421995;CC=C(CF)CC#CC#N;UYLVSRYURPQWNP-UHFFFAOYSA-N;137.16;1.82;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4_N0";;;;;;;2.5;;0.44;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM421996;MM421996;CC1(CF)OC1CC1CC1;AVFARQHWLLZOBA-UHFFFAOYSA-N;144.19;1.91;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNa_SC5";;;;;;;1.64;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM421997;MM421997;NCC(F)C1CN(C=O)C1;XOWUNJNGGAZIFQ-UHFFFAOYSA-N;146.17;-0.63;;;;;DOPC;MDCG;27;1;"MARTINI bead: SP2_SP1";;;;;;;-1.06;;-5.02;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM421998;MM421998;C=C(C)C1OC1C#CC#N;LYEDPWCYPALYDD-UHFFFAOYSA-N;133.15;0.86;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4_SNa";;;;;;;2.2;;0.34;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM421999;MM421999;C=CN=C1CCC(CN)N1;BPXJIAFYRVROCB-UHFFFAOYSA-N;139.2;0.24;;;;;DOPC;MDCG;27;1;"MARTINI bead: SP1_SNd";;;;;;;0.04;;-6.23;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM422000;MM422000;CCC1(N)CC1CN1CC1;VIGJXONWWKOQCV-UHFFFAOYSA-N;140.23;0.43;;;;;DOPC;MDCG;27;1;"MARTINI bead: SNd_SP1";;;;;;;0.04;;-5.21;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM422001;MM422001;CC=C(C=O)C(C)=CCC;JKVMXEXXWRGYER-UHFFFAOYSA-N;138.21;2.49;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1_Na";;;;;;;2.91;;0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM422002;MM422002;N#CC#CCC(=CF)CF;WDAMVVPJQGMRPQ-UHFFFAOYSA-N;141.12;1.73;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_N0";;;;;;;1.94;;0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM422003;MM422003;C=NN1CC(C(C)CC)C1;BFLFVCJBMUKHCG-UHFFFAOYSA-N;140.23;1.58;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC5_SP1";;;;;;;0.81;;-0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM422004;MM422004;C=CC#CC1CN1C(C)=N;MSOCRYMEXMXKBB-UHFFFAOYSA-N;134.18;0.86;;;;;DOPC;MDCG;27;1;"MARTINI bead: SP1_C4";;;;;;;1.37;;-2.1;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM422005;MM422005;C=CN=C1CCC(CO)N1;JIAGIIMIIBIZME-UHFFFAOYSA-N;140.19;0.27;;;;;DOPC;MDCG;27;1;"MARTINI bead: SP1_SNd";;;;;;;0.04;;-5.99;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM422006;MM422006;CC=C(C=O)C(C)=CCO;MGBNWNNNLMIJLT-UHFFFAOYSA-N;140.18;1.07;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_Nda";;;;;;;0.87;;-1.99;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM422007;MM422007;NCC1(N)CC1CN1CC1;HCOCGYVJPCVHFM-UHFFFAOYSA-N;141.22;-1.02;;;;;DOPC;MDCG;27;1;"MARTINI bead: SP2_SP1";;;;;;;-1.06;;-6.03;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM422008;MM422008;C=CC#CCC(CC)=NN;FHRKREWPZWZYNQ-UHFFFAOYSA-N;136.2;1.29;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nd_C4";;;;;;;2.2;;0.32;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM422009;MM422009;CC(=N)N1CC1C#CC#N;LSORYWKISUMUMX-UHFFFAOYSA-N;133.15;0.19;;;;;DOPC;MDCG;27;1;"MARTINI bead: SP1_N0";;;;;;;0.34;;-3.68;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM422010;MM422010;C=NN1CC(C(F)CN)C1;HQIUYMMVXMTPTA-UHFFFAOYSA-N;145.18;-0.17;;;;;DOPC;MDCG;27;1;"MARTINI bead: SP2_SP1";;;;;;;-1.06;;-5.32;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM422011;MM422011;C=CN=C1CCC(CF)N1;GHLSQDJGAHJNRX-UHFFFAOYSA-N;142.18;1.25;;;;;DOPC;MDCG;27;1;"MARTINI bead: SNa_SNd";;;;;;;0.87;;-5.13;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM422012;MM422012;CC=C(C=O)C(C)=CCF;OCLOVRAKLOLQPB-UHFFFAOYSA-N;142.17;2.05;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_C4";;;;;;;2.2;;0.34;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM422013;MM422013;NCC1(O)CC1CN1CC1;HPVPMRMRXJBNJA-UHFFFAOYSA-N;142.2;-0.99;;;;;DOPC;MDCG;27;1;"MARTINI bead: SP2_SP1";;;;;;;-1.06;;-6.04;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM422014;MM422014;C=CC#CCC(CC)=NO;FJJVSKDWWYNVLD-UHFFFAOYSA-N;137.18;1.81;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda_C4";;;;;;;2.2;;0.49;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM422015;MM422015;C=CC#CC1CN1C(C)=O;TUKKIBPAXMILHQ-UHFFFAOYSA-N;135.17;0.41;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP2_C4";;;;;;;1.09;;-0.38;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM422016;MM422016;CCN(C)C1CN(C=N)C1;CLDRVAWZCCYEPN-UHFFFAOYSA-N;141.22;0.23;;;;;DOPC;MDCG;27;1;"MARTINI bead: SP1_SP1";;;;;;;-0.79;;-6.63;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM422017;MM422017;C=CNC1=NC(CC)CN1;RUMZIBABDGPDLZ-UHFFFAOYSA-N;139.2;0.46;;;;;DOPC;MDCG;27;1;"MARTINI bead: SN0_SP1";;;;;;;0.34;;-5.73;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM422018;MM422018;CC=CN(C)C(=O)C=NN;QWUYKXRCYBUTPN-UHFFFAOYSA-N;141.17;-0.08;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4_P3";;;;;;;0.23;;-1.03;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM422019;MM422019;CC(=CCF)C(C=O)=CF;CWFQJTCQWZWARN-UHFFFAOYSA-N;146.14;1.95;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4_Na";;;;;;;2.2;;0.34;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM422020;MM422020;C#CC(=NN(C)C=O)NN;LYMOSZOJUJOSEM-UHFFFAOYSA-N;140.15;-1.52;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_P2";;;;;;;-1.34;;-4.31;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM422021;MM422021;CC(=O)N1CC1C#CC#N;BGJZMNXIUITMHH-UHFFFAOYSA-N;134.14;-0.26;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP2_N0";;;;;;;0.06;;-2.21;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM422022;MM422022;C=CC1CC(N(C)C=N)C1;XWDJHKZMNFYAHB-UHFFFAOYSA-N;138.21;1.49;;;;;DOPC;MDCG;27;1;"MARTINI bead: SNd_SC4";;;;;;;2.2;;-3.67;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM422023;MM422023;C=CNC1=NC(CN)CN1;HGCIEFXMIGTXRO-UHFFFAOYSA-N;140.19;-0.99;;;;;DOPC;MDCG;27;1;"MARTINI bead: SP3_SP1";;;;;;;-1.93;;-8.44;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM422024;MM422024;CCC1(C)OC1CN1CC1;XCACYHRHMBEAHD-UHFFFAOYSA-N;141.21;0.87;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNa_SP1";;;;;;;0.04;;-2.54;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM422025;MM422025;CC(=CCF)C(C#N)=CF;PFDYLQLMSLYAEL-UHFFFAOYSA-N;143.14;2.28;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4_Na";;;;;;;2.2;;0.34;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM422026;MM422026;C=CC#CC1CN1C(=N)N;UWAKKRKKENCMLN-UHFFFAOYSA-N;135.17;-0.25;;;;;DOPC;MDCG;27;1;"MARTINI bead: SP2_C4";;;;;;;1.09;;-3.81;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM422027;MM422027;CN(C=N)C1CC(C=O)C1;QJSQJTFKNUJZMP-UHFFFAOYSA-N;140.19;0.5;;;;;DOPC;MDCG;27;1;"MARTINI bead: SNd_SNa";;;;;;;0.87;;-6.14;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM422028;MM422028;CCC1(C)CC1C1(O)CC1;MSBVUELUDWCENV-UHFFFAOYSA-N;140.23;1.95;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC3_SP1";;;;;;;1.74;;0.29;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM422029;MM422029;C=CNC1=NC(CF)CN1;DWIAWAFSSKWTQZ-UHFFFAOYSA-N;143.17;0.02;;;;;DOPC;MDCG;27;1;"MARTINI bead: SP2_SP1";;;;;;;-1.06;;-7.43;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM422030;MM422030;C=CC1(C)CC1CC1CC1;ASRQDCQSTRSUNJ-UHFFFAOYSA-N;136.24;3;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC4_SC5";;;;;;;2.97;;0.45;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM422031;MM422031;CC=C(C=O)C(F)=CCC;BCUDGZWSDLMFPX-UHFFFAOYSA-N;142.17;2.4;;;;;DOPC;MDCG;27;0;"MARTINI bead: C3_Na";;;;;;;2.57;;0.45;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM422032;MM422032;CN(C=N)C1CC(C#N)C1;QCZXWUZUNXRFQH-UHFFFAOYSA-N;137.19;0.83;;;;;DOPC;MDCG;27;1;"MARTINI bead: SNd_SN0";;;;;;;1.17;;-5.27;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM422033;MM422033;N#CC#CC1CN1C(=N)N;LGYQKUUXZISATE-UHFFFAOYSA-N;134.14;-0.91;;;;;DOPC;MDCG;27;1;"MARTINI bead: SP2_N0";;;;;;;0.06;;-5.42;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM422034;MM422034;C=CC(OC=NN)=C(C)F;KCWVEWAKTBMJGK-UHFFFAOYSA-N;144.15;1.29;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_P1";;;;;;;0.81;;-0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM422035;MM422035;NC(=O)CC#CC(=O)O;MBXLGUVAXGNOBT-UHFFFAOYSA-N;127.1;-1.05;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_P1";;;;;;;-1.06;;-8.47;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM422036;MM422036;C=CC1(N)CC1CC1CC1;PYZDDGCBHFCLKM-UHFFFAOYSA-N;137.23;1.69;;;;;DOPC;MDCG;27;1;"MARTINI bead: SNd_SC5";;;;;;;1.64;;-2.25;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM422037;MM422037;CC=C(C=O)C(F)=CCO;AKOJPRPSIRDFPP-UHFFFAOYSA-N;144.15;0.98;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_Nda";;;;;;;0.87;;-1.99;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM422038;MM422038;C=CC#CC1CN1C(N)=O;ZCKXJYCNXDKUSO-UHFFFAOYSA-N;136.15;-0.06;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP3_C4";;;;;;;0.23;;-1.03;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM422039;MM422039;C=CC1(C)NC1C(=O)CC;NHIJJZAZZLRPPT-UHFFFAOYSA-N;139.2;0.88;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_SP1";;;;;;;0.04;;-2.54;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM422040;MM422040;C=CCC1=NN(CC)CC1;BQBZRDWJWRLQLJ-UHFFFAOYSA-N;138.21;1.64;;;;;DOPC;MDCG;27;0;"MARTINI bead: SN0_SN0";;;;;;;1.47;;-0.05;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM422041;MM422041;CCOC(=O)C(=O)NOC;RHXOCVDVQHGCFH-UHFFFAOYSA-N;147.13;-0.77;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_P2";;;;;;;-0.24;;-7.92;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM422042;MM422042;CN(C=CF)C(=O)C=NN;JCZNJGVKFGNYLT-UHFFFAOYSA-N;145.14;-0.17;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_P3";;;;;;;-0.33;;-2.01;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM422043;MM422043;CCC=C(F)C(C#N)=CN;GFFXINKXJVLDAN-UHFFFAOYSA-N;140.16;1.62;;;;;DOPC;MDCG;27;0;"MARTINI bead: C3_P1";;;;;;;1.74;;0.29;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM422044;MM422044;N#CC#CC1CN1C(N)=O;PQNPRQHWRQGLMU-UHFFFAOYSA-N;135.13;-0.72;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP3_N0";;;;;;;-0.8;;-2.99;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM422045;MM422045;CCN1CCC(CC#N)=N1;SHCFZRLGLJTOSJ-UHFFFAOYSA-N;137.19;0.98;;;;;DOPC;MDCG;27;0;"MARTINI bead: SN0_SP1";;;;;;;0.34;;-1.53;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM422046;MM422046;CN(C=O)C1CC(C#N)C1;ISPQBHATVOCLQE-UHFFFAOYSA-N;138.17;0.38;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNda_SN0";;;;;;;1.17;;-1.13;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM422047;MM422047;C=CC#CCC(=NC)NC;CLCQJQPZKGRXJI-UHFFFAOYSA-N;136.2;0.81;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1_C4";;;;;;;1.37;;-3.09;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM422048;MM422048;O=CC1(O)CC1CC1CC1;ILMFNYXTTIBISG-UHFFFAOYSA-N;140.18;0.74;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP2_SC5";;;;;;;0.54;;-1.09;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM422049;MM422049;C#CC#CC1CC1C(=C)C;KPKRXVLZXZVPBV-UHFFFAOYSA-N;130.19;1.84;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4_SC5";;;;;;;2.97;;0.45;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM422050;MM422050;NC=C(C=O)C(F)=CCO;FDADSHIJMUICDL-UHFFFAOYSA-N;145.13;-0.13;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_Nda";;;;;;;-0.24;;-3.31;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM422051;MM422051;C=CN=C1CCN(CC)N1;WXPSVOYBECBCCJ-UHFFFAOYSA-N;139.2;0.76;;;;;DOPC;MDCG;27;1;"MARTINI bead: SP1_SP2";;;;;;;-1.06;;-6.11;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM422052;MM422052;C=CC1CC(N(N)C=N)C1;KXMKNYXIAYJVSH-UHFFFAOYSA-N;139.2;0.73;;;;;DOPC;MDCG;27;1;"MARTINI bead: SNd_SC4";;;;;;;2.2;;-1.8;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM422053;MM422053;CN=C(CC#CC#N)NC;LLWAHJKWRXLUGY-UHFFFAOYSA-N;135.17;0.15;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1_N0";;;;;;;0.34;;-4.54;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM422054;MM422054;N#CC1(O)CC1CC1CC1;UDYBNZQLANNAES-UHFFFAOYSA-N;137.18;1.06;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP2_SC5";;;;;;;0.54;;-1.09;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM422055;MM422055;C#CC#CC1CC1C(=N)N;FIZHIYBNEDCZTK-UHFFFAOYSA-N;132.17;0.2;;;;;DOPC;MDCG;27;1;"MARTINI bead: P2_SC5";;;;;;;0.54;;-5.78;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM422056;MM422056;N#CC(=CF)C(F)=CCO;ACILQWCLMHYCPD-UHFFFAOYSA-N;145.11;1.21;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda_Na";;;;;;;0.87;;-1.99;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM422057;MM422057;C=COC1=NN(CC)CC1;JOUZTUYEVAMDHY-UHFFFAOYSA-N;140.19;1.19;;;;;DOPC;MDCG;27;0;"MARTINI bead: SN0_SNa";;;;;;;1.17;;-1.18;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM422058;MM422058;C=CC1CC(N(C)N=C)C1;CLVRFYAPKIVHJE-UHFFFAOYSA-N;138.21;1.5;;;;;DOPC;MDCG;27;0;"MARTINI bead: SN0_SC4";;;;;;;2.5;;0.44;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM422059;MM422059;C=CC1(F)CC1CC1CC1;VNRPKEXRXGCGTL-UHFFFAOYSA-N;140.2;2.7;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC5_SC5";;;;;;;2.41;;0.64;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM422060;MM422060;C=CC#CCC(=NC)NN;IVFNWOUKVSVRLS-UHFFFAOYSA-N;137.19;0.06;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_N0";;;;;;;1.17;;-2.47;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM422061;MM422061;C#CC#CC1CC1C(N)=O;ZVZVKLRILKTTIV-UHFFFAOYSA-N;133.15;-0.26;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_SC5";;;;;;;0.54;;-1.09;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM422062;MM422062;COC1=NCC(C)(C#N)N1;PLZGFRZPZWMHFX-UHFFFAOYSA-N;139.16;-0.13;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP1_SP1";;;;;;;-0.79;;-3.13;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM422063;MM422063;C#CCC1=CC(CC)CC1;KIXIWVNHLOKKDH-UHFFFAOYSA-N;134.22;2.76;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC2_SC4";;;;;;;4.16;;0.44;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM422064;MM422064;C=CC(=CC)C(C)=COC;USQMFLXPCKRUKY-UHFFFAOYSA-N;138.21;2.67;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_C1";;;;;;;3.68;;0.46;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM422065;MM422065;C=CC1(C)CC1NC1CC1;RZEANBXKZUPSFO-UHFFFAOYSA-N;137.23;1.7;;;;;DOPC;MDCG;27;1;"MARTINI bead: SC4_SP1";;;;;;;1.37;;-2.27;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM422066;MM422066;C=CC#CCC(=NO)NO;UBNMPTYHZRBQTN-UHFFFAOYSA-N;140.14;0.33;;;;;DOPC;MDCG;27;0;"MARTINI bead: P4_C4";;;;;;;0.15;;-2.18;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM422067;MM422067;C=NN(C)C1CC(C#N)C1;XJUMJYRUDYMROO-UHFFFAOYSA-N;137.19;0.84;;;;;DOPC;MDCG;27;0;"MARTINI bead: SN0_SN0";;;;;;;1.47;;-0.05;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM422068;MM422068;CC=C(C=O)C(C)=COC;HNSYZRDKXWMERZ-UHFFFAOYSA-N;140.18;1.68;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_Na";;;;;;;1.64;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM422069;MM422069;C#CC#CC1CC1C(=O)O;WKZITZWYVRIKJY-UHFFFAOYSA-N;134.13;0.34;;;;;DOPC;MDCG;27;-1;"MARTINI bead: P1_SC5";;;;;;;0.81;;-4.39;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM422070;MM422070;C#CCC1=CC(CN)CC1;QWCFEVXSBRNPHS-UHFFFAOYSA-N;135.21;1.3;;;;;DOPC;MDCG;27;1;"MARTINI bead: SNd_SC4";;;;;;;2.2;;-2.19;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM422071;MM422071;CC1(C=O)CC1NC1CC1;FYQKICBYDDSXLH-UHFFFAOYSA-N;139.2;0.72;;;;;DOPC;MDCG;27;1;"MARTINI bead: SNa_SP1";;;;;;;0.04;;-4.47;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM422072;MM422072;C=CC(N)C1CN(C=O)C1;BDACUSITGKCOHQ-UHFFFAOYSA-N;140.19;-0.41;;;;;DOPC;MDCG;27;1;"MARTINI bead: SP2_SP1";;;;;;;-1.06;;-5.86;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM422073;MM422073;C=CC#CCC(=CC)OC;GVVYPDAMHDSYGB-UHFFFAOYSA-N;136.19;2.12;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_C4";;;;;;;2.97;;0.45;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM422074;MM422074;C#CC#CC1CC1C(=C)F;JXCQXPKNONCPSR-UHFFFAOYSA-N;134.15;1.74;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_SC5";;;;;;;2.41;;0.64;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM422075;MM422075;COC=C(C)C(C#N)=CN;KWVHCEUFNAJSJU-UHFFFAOYSA-N;138.17;0.9;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_P1";;;;;;;0.81;;-0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM422076;MM422076;C=CC1(C)CC1OC1CC1;UYTHXPBOORINED-UHFFFAOYSA-N;138.21;2.13;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC4_SP1";;;;;;;1.37;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM422077;MM422077;CC1C2N=C(NN)OC12C;ZRCKSRKYOQFNNT-UHFFFAOYSA-N;141.17;-0.39;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP2_SC5";;;;;;;0.54;;-1.09;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM422078;MM422078;CC=C(CC#CC=O)OC;SUBOZRGCNKTVAY-UHFFFAOYSA-N;138.17;1.13;;;;;DOPC;MDCG;27;0;"MARTINI bead: C3_P1";;;;;;;1.74;;0.29;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM422079;MM422079;CN(C=N)C1CN(C=N)C1;ZKSOMMWDDUWVEK-UHFFFAOYSA-N;140.19;-0.18;;;;;DOPC;MDCG;27;1;"MARTINI bead: SP3_SP1";;;;;;;-1.93;;-8.33;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM422080;MM422080;CC=C(C#N)C(F)=COC;HCVTUTCELWIMKH-UHFFFAOYSA-N;141.15;1.91;;;;;DOPC;MDCG;27;0;"MARTINI bead: N0_N0";;;;;;;1.47;;-0.05;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM422081;MM422081;N#CC(=CF)NC(=N)CF;CWMQEIQGZFALPN-UHFFFAOYSA-N;145.11;0.86;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_Nda";;;;;;;0.87;;-1.99;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM422082;MM422082;O=CC1(O)CC1OC1CC1;GLABVMYMBIAIBC-UHFFFAOYSA-N;142.15;-0.13;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP2_SP1";;;;;;;-1.06;;-3.82;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM422083;MM422083;C#CCC1=CC(CF)CC1;VCSQTOSLOQNZJB-UHFFFAOYSA-N;138.19;2.32;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC5_SC4";;;;;;;2.97;;0.45;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM422084;MM422084;CC=C(CC#CC#N)OC;JZLRCOILXAGASM-UHFFFAOYSA-N;135.17;1.45;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_N0";;;;;;;1.94;;0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM422085;MM422085;CN(C=O)C1CN(C=N)C1;SFYLTCAGCZQJHI-UHFFFAOYSA-N;141.17;-0.63;;;;;DOPC;MDCG;27;1;"MARTINI bead: SP2_SP1";;;;;;;-1.06;;-7.25;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM422086;MM422086;C#CC#CC1OC1C(=C)C;OCKCEKKXIXTYNW-UHFFFAOYSA-N;132.16;0.97;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4_SNa";;;;;;;2.2;;0.34;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM422087;MM422087;COC=C(F)C(C=O)=CN;NWVDOAOGYSPYMX-UHFFFAOYSA-N;145.13;0.49;;;;;DOPC;MDCG;27;0;"MARTINI bead: N0_P2";;;;;;;0.06;;-2.21;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM422088;MM422088;C=CC1(N)CC1CC1CN1;ULICFPIBQTVDRI-UHFFFAOYSA-N;138.21;0.25;;;;;DOPC;MDCG;27;1;"MARTINI bead: SNd_SP1";;;;;;;0.04;;-4.98;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM422089;MM422089;C#CCC1=CC(NC)CC1;JHXMZGVLFCJKIL-UHFFFAOYSA-N;135.21;1.32;;;;;DOPC;MDCG;27;1;"MARTINI bead: SNd_SC4";;;;;;;2.2;;-1.84;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM422090;MM422090;C#CC#CC1CN1C(C)=N;LLTGZHIBRKFKDY-UHFFFAOYSA-N;132.17;0.3;;;;;DOPC;MDCG;27;1;"MARTINI bead: SP1_C4";;;;;;;1.37;;-2.09;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM422091;MM422091;COC=C(F)C(C#N)=CN;OPRWRIGBSBVZJB-UHFFFAOYSA-N;142.13;0.81;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_P2";;;;;;;0.54;;-1.09;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM422092;MM422092;CC1(C#N)CC1CC1CO1;CXYGWJSCZPSYOC-UHFFFAOYSA-N;137.18;1.33;;;;;DOPC;MDCG;27;0;"MARTINI bead: SN0_SNa";;;;;;;1.17;;-1.18;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM422093;MM422093;COC(=CF)CC#CC=O;GVJFJCHYCRUWOJ-UHFFFAOYSA-N;142.13;1.04;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_P1";;;;;;;0.81;;-0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM422094;MM422094;CN(C=N)C1CN(C=O)C1;WBEWIUZLUDDGFU-UHFFFAOYSA-N;141.17;-0.63;;;;;DOPC;MDCG;27;1;"MARTINI bead: SP3_SP1";;;;;;;-1.93;;-8.18;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM422095;MM422095;C#CCC1=CC(OC)CC1;KZXATZUKEQKTTE-UHFFFAOYSA-N;136.19;1.74;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNa_SC4";;;;;;;2.2;;0.34;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM422096;MM422096;C=COC(C=C)=NNC;PKBKIYJCFSDVNK-UHFFFAOYSA-N;126.16;0.87;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_N0";;;;;;;0.34;;-1.53;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM422097;MM422097;C#CC#CC1CN1C(C)=O;HOWPEAPWJBQDGU-UHFFFAOYSA-N;133.15;-0.15;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP2_C4";;;;;;;1.09;;-0.38;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM422098;MM422098;C=CC1(N)CC1CC1CO1;TYZROCLTUOMDJE-UHFFFAOYSA-N;139.2;0.68;;;;;DOPC;MDCG;27;1;"MARTINI bead: SNd_SNa";;;;;;;0.87;;-4.24;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM422099;MM422099;CN(C=O)C1CN(C=O)C1;UZTVTSDTKXTCKE-UHFFFAOYSA-N;142.16;-1.08;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP2_SP1";;;;;;;-1.06;;-3.82;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM422100;MM422100;COC(=CF)CC#CC#N;OZVJMCATMVWAFB-UHFFFAOYSA-N;139.13;1.36;;;;;DOPC;MDCG;27;0;"MARTINI bead: N0_N0";;;;;;;1.47;;-0.05;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM422101;MM422101;C#CCC1=CC(CC)NC1;WUSOXONPWPRCCD-UHFFFAOYSA-N;135.21;1.32;;;;;DOPC;MDCG;27;1;"MARTINI bead: SNd_SP1";;;;;;;0.04;;-6.13;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM422102;MM422102;CNc1nn(N)c(=N)o1;VCIURQPDJSUJHL-UHFFFAOYSA-N;129.12;-1.29;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP1_SP3";;;;;;;-1.93;;-4.72;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM422103;MM422103;C#CC#CC1CN1C(=N)N;ZILGHHMSUSBBMN-UHFFFAOYSA-N;133.15;-0.8;;;;;DOPC;MDCG;27;1;"MARTINI bead: SP2_C4";;;;;;;1.09;;-3.7;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM422104;MM422104;C=CC1(O)CC1CC1CO1;NWVDSJKQWQIIBC-UHFFFAOYSA-N;140.18;0.71;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNda_SNa";;;;;;;0.87;;-1.99;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM422105;MM422105;N=CN1CC(N(N)C=N)C1;WAVPYCVMDLVDAX-UHFFFAOYSA-N;141.18;-0.94;;;;;DOPC;MDCG;27;1;"MARTINI bead: SP3_SP1";;;;;;;-1.93;;-7.99;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM422106;MM422106;C=NNC=C(C)C(=O)CC;PDPCFKIYBBTVDG-UHFFFAOYSA-N;140.19;1.07;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_Nd";;;;;;;0.87;;-1.88;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM422107;MM422107;C#CCC1=CC(CN)NC1;CERMNCZOAJYVCS-UHFFFAOYSA-N;136.2;-0.13;;;;;DOPC;MDCG;27;1;"MARTINI bead: SP2_SP1";;;;;;;-1.06;;-6.77;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM422108;MM422108;CN1CCC(N)=CC1=O;VBWJJDNBNOCCQJ-UHFFFAOYSA-N;126.16;-0.31;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNda_SP1";;;;;;;0.04;;-2.73;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM422109;MM422109;C#CC#CC1CN1C(N)=O;QFKAHYUHZGREOA-UHFFFAOYSA-N;134.14;-0.61;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP3_C4";;;;;;;0.23;;-1.03;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM422110;MM422110;N#CC1(O)CC1CC1CO1;XLWGUIYPLKQZFC-UHFFFAOYSA-N;139.15;0.05;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP2_SNa";;;;;;;-0.24;;-3.24;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM422111;MM422111;C#CC#CCC(=CC)CC;RESTXOYAGQYYAM-UHFFFAOYSA-N;132.21;2.37;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1_C4";;;;;;;4.24;;0.42;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM422112;MM422112;N=CN1CC(N(N)C=O)C1;KJJQAPMHFWFDHD-UHFFFAOYSA-N;142.16;-1.39;;;;;DOPC;MDCG;27;1;"MARTINI bead: SP3_SP1";;;;;;;-1.93;;-7.98;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM422113;MM422113;C#CCC1=CC(CO)NC1;FWOKLDIDVIBWNK-UHFFFAOYSA-N;137.18;-0.1;;;;;DOPC;MDCG;27;1;"MARTINI bead: SP1_SP1";;;;;;;-0.79;;-5.91;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM422114;MM422114;CON=C(C)C(C=O)=CN;CHEYPIOBAIVUDO-UHFFFAOYSA-N;142.16;0.05;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_P2";;;;;;;-0.24;;-3.24;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM422115;MM422115;CC=c1occc1=C(C)C;ZGEZSQLDYLPIMC-UHFFFAOYSA-N;136.19;1.27;;;;;DOPC;MDCG;27;0;"MARTINI bead: SN0_SC2";;;;;;;3.13;;0.3;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM422116;MM422116;C#CC#CCC(=CF)CC;KCYDQOZEGIBOME-UHFFFAOYSA-N;136.17;2.28;;;;;DOPC;MDCG;27;0;"MARTINI bead: C3_C4";;;;;;;3.9;;0.47;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM422117;MM422117;N=CN(N)C1CN(C=O)C1;IBRDGOXDEMEGNA-UHFFFAOYSA-N;142.16;-1.39;;;;;DOPC;MDCG;27;1;"MARTINI bead: SP3_SP1";;;;;;;-1.93;;-6.48;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM422118;MM422118;C=CC1(F)CC1CC1CO1;WPYLNISUKRDTCT-UHFFFAOYSA-N;142.17;1.69;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC5_SNa";;;;;;;1.64;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM422119;MM422119;C#CCC1=CC(CF)NC1;YJBMJPNZEZNLFA-UHFFFAOYSA-N;139.17;0.88;;;;;DOPC;MDCG;27;1;"MARTINI bead: SNda_SP1";;;;;;;0.04;;-4.55;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM422120;MM422120;CON=C(C)C(C=O)=CF;AIHWDSZJGAWTCG-UHFFFAOYSA-N;145.13;1.06;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_Na";;;;;;;0.87;;-2.22;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM422121;MM422121;CC=c1occc1=C(C)F;XZZUUQYXQDZSCY-UHFFFAOYSA-N;140.16;1.18;;;;;DOPC;MDCG;27;0;"MARTINI bead: SN0_SC4";;;;;;;2.5;;0.44;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM422122;MM422122;CC1(C=O)NC1CC1CC1;LOFONIFMRSUUDH-UHFFFAOYSA-N;139.2;0.72;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP2_SC5";;;;;;;0.54;;-1.09;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM422123;MM422123;C#CC#CCC(=CC)CN;IFEYTVSYAQXMHL-UHFFFAOYSA-N;133.19;0.92;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_C4";;;;;;;2.2;;-1.64;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM422124;MM422124;NN(C=O)C1CN(C=O)C1;GDLFDRJIDJYCPP-UHFFFAOYSA-N;143.15;-1.84;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP3_SP1";;;;;;;-1.93;;-4.72;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM422125;MM422125;C#CCC1=CC(CC)OC1;NSQDGZGVPIXDOK-UHFFFAOYSA-N;136.19;1.74;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNa_SN0";;;;;;;1.17;;-1.18;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM422126;MM422126;C=CC(=CC)C(C)=CC=O;YPOOQZMEFJGNDX-UHFFFAOYSA-N;136.19;2.26;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1_Na";;;;;;;2.91;;0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM422127;MM422127;C=CCC1C(C)C1C(C)N;PMPBBRWUOROTKO-UHFFFAOYSA-N;139.24;1.79;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1_SC3";;;;;;;1.74;;-2.34;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM422128;MM422128;CC1(C#N)NC1CC1CC1;BZTVYKGRQPNZLX-UHFFFAOYSA-N;136.2;1.04;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP1_SC5";;;;;;;0.81;;-0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM422129;MM422129;N=CN1CC(N(O)C=N)C1;XTJDFSCOUWBEBT-UHFFFAOYSA-N;142.16;-0.42;;;;;DOPC;MDCG;27;1;"MARTINI bead: SP3_SP1";;;;;;;-1.93;;-7.95;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM422130;MM422130;C#CC#CCC(=CF)CN;XLNAJJYDGUUJTE-UHFFFAOYSA-N;137.16;0.83;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1_C4";;;;;;;1.37;;-2.08;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM422131;MM422131;C#CCC1=CC(CN)OC1;YDGKNLSDGUBVJN-UHFFFAOYSA-N;137.18;0.29;;;;;DOPC;MDCG;27;1;"MARTINI bead: SP1_SN0";;;;;;;0.34;;-3.56;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM422132;MM422132;CC(=O)CCC1(C#N)CN1;CLPCVFJEMCSUCZ-UHFFFAOYSA-N;138.17;0.22;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_SP1";;;;;;;-0.79;;-3.13;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM422133;MM422133;C=CC(=CC)C(C)=CC#N;UAZMTPGZMVXUDH-UHFFFAOYSA-N;133.19;2.59;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1_N0";;;;;;;3.21;;0.46;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM422134;MM422134;C=NN(C)C1CN(C=N)C1;BJGIZTXHCHBNLD-UHFFFAOYSA-N;140.19;-0.17;;;;;DOPC;MDCG;27;1;"MARTINI bead: SP1_SP1";;;;;;;-0.79;;-6.54;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM422135;MM422135;CC1(C#N)NC1CC1CO1;HNUZRGIAXUZWPK-UHFFFAOYSA-N;138.17;0.03;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP1_SNa";;;;;;;0.04;;-2.54;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM422136;MM422136;C#CC#CCC(=CC)CO;FEYMQMXGPZGLFG-UHFFFAOYSA-N;134.18;0.95;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda_C4";;;;;;;2.2;;0.49;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM422137;MM422137;C#CCC1=CC(OC)OC1;FMQACHWVIKFKQY-UHFFFAOYSA-N;138.17;0.94;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNa_SN0";;;;;;;1.17;;-1.18;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM422138;MM422138;CC(F)C1C(C)C1CC#N;AUUVJEKTJRLLLX-UHFFFAOYSA-N;141.19;2.14;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_SC5";;;;;;;2.41;;0.64;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM422139;MM422139;C=CC1(C)OC1CC1CC1;KKJLCDVPIRCQJM-UHFFFAOYSA-N;138.21;2.13;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNa_SC5";;;;;;;1.64;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM422140;MM422140;C=CC(=CF)C(C)=CC#N;OIYASDPQKYKNEH-UHFFFAOYSA-N;137.16;2.5;;;;;DOPC;MDCG;27;0;"MARTINI bead: N0_C4";;;;;;;2.5;;0.44;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM422141;MM422141;C=NN(C)C1CN(C=O)C1;IMWFYVYYJSMYCC-UHFFFAOYSA-N;141.17;-0.63;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP1_SP1";;;;;;;-0.79;;-3.13;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM422142;MM422142;C#CC#CCC(=CC)CF;RZYPBAREEKIGOC-UHFFFAOYSA-N;136.17;1.93;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4_C4";;;;;;;3.53;;0.53;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM422143;MM422143;C#CCC1=CC(CC)CO1;DIMSZUFGHTZUBU-UHFFFAOYSA-N;136.19;1.95;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC5_SNa";;;;;;;1.64;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM422144;MM422144;C#CCC1C(C)C1C(C)N;QKGXRTIAJFKWMA-UHFFFAOYSA-N;137.23;1.24;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1_SC4";;;;;;;1.37;;-2.95;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM422145;MM422145;CC1(C=O)OC1CC1CC1;DNJCDXWKSPQVSF-UHFFFAOYSA-N;140.18;1.14;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP1_SC5";;;;;;;0.81;;-0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM422146;MM422146;C=CC=C(C)C(C#N)=CC;JEUQIOWRAAFOED-UHFFFAOYSA-N;133.19;2.59;;;;;DOPC;MDCG;27;0;"MARTINI bead: N0_C1";;;;;;;3.21;;0.46;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM422147;MM422147;C=NN1CC(N(C)C=N)C1;HZGYDWLUBNOWOI-UHFFFAOYSA-N;140.19;-0.17;;;;;DOPC;MDCG;27;1;"MARTINI bead: SP3_SP1";;;;;;;-1.93;;-8.14;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM422148;MM422148;C#CC#CCC(CC)=NN;CPVRHIDVIMEIJV-UHFFFAOYSA-N;134.18;0.74;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nd_C4";;;;;;;2.2;;0.32;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM422149;MM422149;C#CCC1=CC(CN)CO1;KBFAYVAJWZAMSY-UHFFFAOYSA-N;137.18;0.5;;;;;DOPC;MDCG;27;1;"MARTINI bead: SP1_SNa";;;;;;;0.04;;-5.23;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM422150;MM422150;C=CCC1C(C)C1C(=C)C;CVAJZCDFGTZHTC-UHFFFAOYSA-N;136.24;3.02;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC3_C4";;;;;;;3.9;;0.47;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM422151;MM422151;CC1(C#N)OC1CC1CC1;DUJGBHSNYPXLNW-UHFFFAOYSA-N;137.18;1.47;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNa_SC5";;;;;;;1.64;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM422152;MM422152;CC=C(C#N)C(C)=CC=O;UOQPASABBZAVSZ-UHFFFAOYSA-N;135.17;1.6;;;;;DOPC;MDCG;27;0;"MARTINI bead: N0_Na";;;;;;;1.17;;-1.18;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM422153;MM422153;C=NN1CC(N(C)C=O)C1;XFVYHZYBPVBGPJ-UHFFFAOYSA-N;141.17;-0.63;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP2_SP1";;;;;;;-1.06;;-3.82;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM422154;MM422154;C#CC#CCC(CC)=NO;YMMRMMFPMJFQRF-UHFFFAOYSA-N;135.17;1.25;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda_C4";;;;;;;2.2;;0.5;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM422155;MM422155;C#CCC1=CC(CO)CO1;ZKZGBQLUIHPFDV-UHFFFAOYSA-N;138.17;0.53;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP1_SNa";;;;;;;0.04;;-2.54;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM422156;MM422156;C=C(C)C1C(C)C1CC#N;OZPYOHNZDZUUDU-UHFFFAOYSA-N;135.21;2.36;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC5_C4";;;;;;;2.97;;0.45;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM422157;MM422157;C=CC1(C)OC1CC1CO1;UYOXVMSBXXMKHI-UHFFFAOYSA-N;140.18;1.12;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNa_SNa";;;;;;;0.87;;-2.22;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM422158;MM422158;CC=C(C=O)C(C)=CC#N;BGDOLXHOHPJCID-UHFFFAOYSA-N;135.17;1.6;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_N0";;;;;;;1.17;;-1.18;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM422159;MM422159;C=NN1CC(N(N)C=N)C1;GAQCTVXXPAWZQN-UHFFFAOYSA-N;141.18;-0.93;;;;;DOPC;MDCG;27;1;"MARTINI bead: SP3_SP1";;;;;;;-1.93;;-6.41;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM422161;MM422161;C=C(C=O)NC=NC=NC;YUBUEBJALNAASS-UHFFFAOYSA-N;139.16;-0.03;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_Na";;;;;;;0.04;;-2.54;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM422160;MM422160;C#CCC1=CC(CF)CO1;QLYYDXLOXVDLCW-UHFFFAOYSA-N;140.16;1.51;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNa_SNa";;;;;;;0.87;;-2.22;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM422162;MM422162;CC1(C=O)OC1CC1CO1;QHEUPOTXGLDAJT-UHFFFAOYSA-N;142.15;0.13;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP1_SNa";;;;;;;0.04;;-2.54;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM422163;MM422163;C=c1occ(C)c1=C(C)C;UXUQJWOXGWFDIY-UHFFFAOYSA-N;136.19;1.19;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC4_SC5";;;;;;;2.97;;0.45;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM422164;MM422164;CC(=CC#N)C(C#N)=CN;ZEWFNGBEYBIGPA-UHFFFAOYSA-N;133.15;0.82;;;;;DOPC;MDCG;27;0;"MARTINI bead: N0_P1";;;;;;;0.34;;-1.53;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM422165;MM422165;C=NN1CC(N(N)C=O)C1;MCLCBDIIJNIHDM-UHFFFAOYSA-N;142.16;-1.38;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP3_SP1";;;;;;;-1.93;;-4.72;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM422166;MM422166;CC1(C=O)CC1CN1CC1;SYKBGPIBHFEPIL-UHFFFAOYSA-N;139.2;0.53;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNa_SP1";;;;;;;0.04;;-2.54;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM422167;MM422167;C#CCCC(C)C1(O)CC1;GNGJCCJYRGUZRF-UHFFFAOYSA-N;138.21;1.56;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1_SP1";;;;;;;2.08;;0.48;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM422168;MM422168;C=c1occ(C)c1=C(C)F;PGJMUAFULLXJEA-UHFFFAOYSA-N;140.16;1.1;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC5_SC5";;;;;;;2.41;;0.64;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM422169;MM422169;C#CCC1=CC(NC)CO1;WHCTYLXCTODXMW-UHFFFAOYSA-N;137.18;0.51;;;;;DOPC;MDCG;27;1;"MARTINI bead: SP1_SNa";;;;;;;0.04;;-3.99;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM422170;MM422170;C=NN1CC(N(C)N=C)C1;WAAZTWRXAFPJHB-UHFFFAOYSA-N;140.19;-0.17;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP1_SP1";;;;;;;-0.79;;-3.13;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM422171;MM422171;CC(=CC=O)C(C=O)=CF;OHORGMPQDNURHG-UHFFFAOYSA-N;142.13;1.18;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_Na";;;;;;;0.87;;-2.22;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM422172;MM422172;C=CC1(N)CC1CN1CC1;VYVQVQLDPVZTEF-UHFFFAOYSA-N;138.21;0.21;;;;;DOPC;MDCG;27;1;"MARTINI bead: SNd_SP1";;;;;;;0.04;;-4.65;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM422173;MM422173;Cc1[nH]nc(O)c(=O)c1O;XYEOXSGUNHGFFZ-UHFFFAOYSA-N;142.11;-0.51;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP1_SP3";;;;;;;-1.93;;-8.93;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM422174;MM422174;C#CCC1=CC(OC)CO1;MNBWZHHGKGGKRI-UHFFFAOYSA-N;138.17;0.94;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNa_SNa";;;;;;;0.87;;-2.22;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM422175;MM422175;C=c1occ(C)c1=C(F)F;PSCKVAQAIZZETR-UHFFFAOYSA-N;144.12;1;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC5_SC5";;;;;;;2.41;;0.64;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM422176;MM422176;C=CC(=CC)C(N)=CC=O;WVHIWHIMNXGXFM-UHFFFAOYSA-N;137.18;1.16;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1_P2";;;;;;;1.8;;0.4;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM422177;MM422177;CN(C=N)N1CC(C#N)C1;KJSWHCUOBBLLMB-UHFFFAOYSA-N;138.17;-0.1;;;;;DOPC;MDCG;27;1;"MARTINI bead: SP2_SP2";;;;;;;-1.34;;-7.02;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM422178;MM422178;C#CC#CCC(=NC)NC;JMXYOXOCZPLDRZ-UHFFFAOYSA-N;134.18;0.26;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1_C4";;;;;;;1.37;;-3;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM422179;MM422179;CC=NN(C)C(=O)C=NN;BOKQJSHIWJQYBU-UHFFFAOYSA-N;142.16;-0.61;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_P1";;;;;;;-0.79;;-3.13;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM422180;MM422180;C=c1occ(F)c1=C(C)C;CUIATLMCPQLTHJ-UHFFFAOYSA-N;140.16;1.02;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC4_SNa";;;;;;;2.2;;0.34;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM422181;MM422181;C#CCC1=NN(CC)CC1;LMKGKTPMTHXRPT-UHFFFAOYSA-N;136.2;1.09;;;;;DOPC;MDCG;27;0;"MARTINI bead: SN0_SP1";;;;;;;0.34;;-1.53;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM422182;MM422182;CC=C(C#N)C(N)=CC#N;LECPWYDDQFHDDR-UHFFFAOYSA-N;133.15;0.82;;;;;DOPC;MDCG;27;0;"MARTINI bead: N0_P1";;;;;;;0.34;;-1.53;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM422183;MM422183;C#CC1CC(C(C)CC)N1;AKBBOUBZRYJEMH-UHFFFAOYSA-N;137.23;1.4;;;;;DOPC;MDCG;27;1;"MARTINI bead: SC5_SP2";;;;;;;0.54;;-3.48;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM422184;MM422184;C=CC(=NN)C(=O)N(C)C;GOXGIDIZANRVBB-UHFFFAOYSA-N;141.17;-0.42;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_Nd";;;;;;;-0.24;;-3.16;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM422185;MM422185;C=c1occ(F)c1=C(C)F;HANPNWDUCYWMER-UHFFFAOYSA-N;144.12;0.93;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC5_SNa";;;;;;;1.64;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM422186;MM422186;C#CC#CCC(=CC)OC;QXZRHFWSTBMBHJ-UHFFFAOYSA-N;134.18;1.56;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_C4";;;;;;;2.97;;0.45;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM422187;MM422187;C=CC1C=C(CCC)CC1;SNSSLEKUJOHEDO-UHFFFAOYSA-N;136.24;3.31;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC1_SC4";;;;;;;4.24;;0.42;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM422188;MM422188;N#CC=C(N)C(C=O)=CN;TUFZTRPURPTIGV-UHFFFAOYSA-N;137.14;-0.61;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_Nda";;;;;;;-0.24;;-3.31;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM422189;MM422189;C#CC1CC(C(C)CN)O1;GLPBQPIBAQFSHW-UHFFFAOYSA-N;139.2;0.37;;;;;DOPC;MDCG;27;1;"MARTINI bead: SNd_SNa";;;;;;;0.87;;-4.62;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM422190;MM422190;C=c1occ(F)c1=C(F)F;PWUCHJAOLPMHCQ-UHFFFAOYSA-N;148.08;0.83;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC5_SNa";;;;;;;1.64;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM422191;MM422191;C#CC#CCC(=CF)OC;ONNWPUNIERZEKZ-UHFFFAOYSA-N;138.14;1.47;;;;;DOPC;MDCG;27;0;"MARTINI bead: N0_C4";;;;;;;2.5;;0.44;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM422192;MM422192;CC1(C#N)NC1CN1CC1;HXNWSYNWFCVFCO-UHFFFAOYSA-N;137.19;-0.44;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP1_SP1";;;;;;;-0.79;;-3.13;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM422193;MM422193;C=CC1C=C(CCN)CC1;YLYRLRQBKJLRIE-UHFFFAOYSA-N;137.23;1.86;;;;;DOPC;MDCG;27;1;"MARTINI bead: SNd_SC4";;;;;;;2.2;;-2.18;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM422194;MM422194;C=CC=C(F)C(C=C)=CC;XCSWRVYFRDRLQV-UHFFFAOYSA-N;138.19;3.16;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1_C4";;;;;;;4.24;;0.42;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM422195;MM422195;C#CC1CC(N(C)CC)C1;BXRCAKQCCGOKKN-UHFFFAOYSA-N;137.23;1.35;;;;;DOPC;MDCG;27;1;"MARTINI bead: SC5_SC5";;;;;;;2.41;;-0.25;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM422196;MM422196;CC1Cn2ncc(=N)nc21;SHSZGEJYWSLQGN-UHFFFAOYSA-N;136.16;-0.13;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP1_SP3";;;;;;;-1.93;;-4.72;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM422197;MM422197;N#CC(C=CF)NCC=O;BXSVSJOLNNSZIG-UHFFFAOYSA-N;142.13;0.15;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_Na";;;;;;;0.04;;-2.54;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM422198;MM422198;CCCC1=CC(C=O)CC1;OGLZHYXXBJBHHG-UHFFFAOYSA-N;138.21;2.32;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC1_SNa";;;;;;;2.91;;0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM422199;MM422199;C=CC1(C)OC1CN1CC1;CAMIWZIWBUNUHN-UHFFFAOYSA-N;139.2;0.65;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNa_SP1";;;;;;;0.04;;-2.54;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM422200;MM422200;CC=C(C#N)C(F)=CC#N;YYMKNAOPBWKMRQ-UHFFFAOYSA-N;136.13;1.83;;;;;DOPC;MDCG;27;0;"MARTINI bead: N0_Na";;;;;;;1.17;;-1.18;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM422201;MM422201;CC1Cn2ncc(=O)nc21;ZLUNJRVYCACBAQ-UHFFFAOYSA-N;137.14;-0.24;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP1_SP3";;;;;;;-1.93;;-4.72;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM422202;MM422202;C#CC1CC(N(C)C=N)C1;NIVCSIDMAGDNKM-UHFFFAOYSA-N;136.2;0.94;;;;;DOPC;MDCG;27;1;"MARTINI bead: SNd_SC5";;;;;;;1.64;;-4.13;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM422203;MM422203;C=CC(=CC)CC#CCC;CQMBFNCONMUYJC-UHFFFAOYSA-N;134.22;2.92;;;;;DOPC;MDCG;27;0;"MARTINI bead: C3_C1";;;;;;;4.61;;0.31;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM422204;MM422204;CCCC1=CC(C#N)CC1;XXJZULAUGBFGLP-UHFFFAOYSA-N;135.21;2.65;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC1_SN0";;;;;;;3.21;;0.46;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM422205;MM422205;CC1(C#N)CN1CC1CC1;GWXWBXZDPJACNC-UHFFFAOYSA-N;136.2;0.99;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP1_SC5";;;;;;;0.81;;-0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM422206;MM422206;C=CC1C=CC(=NN)C1C;DGSAIIVOZFUXQQ-UHFFFAOYSA-N;136.2;1.31;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC4_SC5";;;;;;;2.97;;0.45;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM422207;MM422207;CC1C2C(O)CCC12C;DYZRQLNHLCKIEK-UHFFFAOYSA-N;126.2;1.41;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNda_SC4";;;;;;;2.2;;0.49;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM422208;MM422208;C#CC1CC(N(C)C=O)C1;VAWOQNRHSLBVKM-UHFFFAOYSA-N;137.18;0.49;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNda_SC5";;;;;;;1.64;;0.05;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM422209;MM422209;CNCC1=CC(C#N)CC1;MDXSAKHPOKQXCG-UHFFFAOYSA-N;136.2;1.07;;;;;DOPC;MDCG;27;1;"MARTINI bead: SNd_SN0";;;;;;;1.17;;-3.47;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM422210;MM422210;C=CC(=CC)CC#CCN;JQJOPJMSAYTJLE-UHFFFAOYSA-N;135.21;1.47;;;;;DOPC;MDCG;27;1;"MARTINI bead: C1_Nd";;;;;;;2.91;;0.39;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM422211;MM422211;CC1(C#N)CN1CC1CO1;QTGQFVSWRFMJEA-UHFFFAOYSA-N;138.17;-0.02;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP1_SNa";;;;;;;0.04;;-2.54;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM422212;MM422212;O=c1cnn2c(n1)C(O)C2;IXZZFFOFADTIDX-UHFFFAOYSA-N;139.11;-1.31;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP2_SP3";;;;;;;-2.2;;-5.19;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM422213;MM422213;C=NN=C(C)C(C=O)=CC;WEAFKAMMKSWUAD-UHFFFAOYSA-N;138.17;1.21;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_C5";;;;;;;1.64;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM422214;MM422214;C=CC1C=C(CCC)CN1;DFSWSMAVOSRYHR-UHFFFAOYSA-N;137.23;1.87;;;;;DOPC;MDCG;27;1;"MARTINI bead: SN0_SNd";;;;;;;1.17;;-3.78;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM422215;MM422215;C=CC(=CC)CC#CCO;ZOZJEEGKHFDFGE-UHFFFAOYSA-N;136.19;1.5;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1_P2";;;;;;;1.8;;0.4;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM422216;MM422216;C#CC1CC(N(N)C=N)C1;QEPXJYJIQQVLIL-UHFFFAOYSA-N;137.19;0.18;;;;;DOPC;MDCG;27;1;"MARTINI bead: SNd_SC5";;;;;;;1.64;;-2.24;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM422217;MM422217;C#CC1(C)CC1CC1CC1;LSLUEAPBFOILAK-UHFFFAOYSA-N;134.22;2.45;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC5_SC5";;;;;;;2.41;;0.64;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM422218;MM422218;N=c1cnn2c(n1)C(F)C2;FKJRIGIMPOVTSB-UHFFFAOYSA-N;140.12;-0.22;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP2_SP3";;;;;;;-2.2;;-5.19;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM422219;MM422219;C=NN=C(C)C(C#N)=CC;CWQAUDKYAKTNPC-UHFFFAOYSA-N;135.17;1.53;;;;;DOPC;MDCG;27;0;"MARTINI bead: N0_C5";;;;;;;1.94;;0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM422220;MM422220;C=CC1C=C(CCN)CN1;WJSPTGRVHVBXPC-UHFFFAOYSA-N;138.21;0.42;;;;;DOPC;MDCG;27;1;"MARTINI bead: SP2_SNd";;;;;;;-0.24;;-6.18;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM422221;MM422221;C=CC(=CC)CC#CCF;ADQIPQLXGDADRB-UHFFFAOYSA-N;138.19;2.48;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1_Na";;;;;;;2.91;;0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM422222;MM422222;C#CC1CC(N(N)C=O)C1;PZDMMYHDAZWQEA-UHFFFAOYSA-N;138.17;-0.27;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP1_SC5";;;;;;;0.81;;-0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM422223;MM422223;C#CC1(N)CC1CC1CC1;KGFUCGUZKVKMSB-UHFFFAOYSA-N;135.21;1.14;;;;;DOPC;MDCG;27;1;"MARTINI bead: SNd_SC5";;;;;;;1.64;;-1.59;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM422224;MM422224;O=c1cnn2c(n1)C(F)C2;GIXLHANCZYYBSQ-UHFFFAOYSA-N;141.11;-0.34;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP2_SP3";;;;;;;-2.2;;-5.19;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM422225;MM422225;CCCC1=CC(C=O)NC1;HOMNJKWVRUMNDU-UHFFFAOYSA-N;139.2;0.88;;;;;DOPC;MDCG;27;1;"MARTINI bead: SN0_SP2";;;;;;;0.06;;-3.68;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM422226;MM422226;C=NN=C(C)C(C=O)=CN;BVVMPMDOWYHVSD-UHFFFAOYSA-N;139.16;0.1;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_P2";;;;;;;0.54;;-1.09;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM422227;MM422227;C#CC1CC(N(C)N=C)C1;KOIHIMXTDSLVPF-UHFFFAOYSA-N;136.2;0.95;;;;;DOPC;MDCG;27;0;"MARTINI bead: SN0_SC5";;;;;;;1.94;;0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM422228;MM422228;C=CC(=CF)CC#CCC;YMMYBWJMWRCKRK-UHFFFAOYSA-N;138.19;2.83;;;;;DOPC;MDCG;27;0;"MARTINI bead: C3_C4";;;;;;;3.9;;0.47;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM422229;MM422229;C#CC1(O)CC1CC1CC1;AEJOTOPWTZTPHI-UHFFFAOYSA-N;136.19;1.17;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP1_SC5";;;;;;;0.81;;-0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM422230;MM422230;N=c1cnn2c(n1)C(=O)C2;ZMAHPDGNHSPERC-UHFFFAOYSA-N;136.11;-1.05;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP2_SP3";;;;;;;-2.2;;-5.19;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM422231;MM422231;C=NN=C(C)C(C=O)=CF;XYJVZFLNBNXXBW-UHFFFAOYSA-N;142.13;1.12;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_Na";;;;;;;1.64;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM422232;MM422232;C#CC1CN(N(C)C=O)C1;RULORVORKSQSLI-UHFFFAOYSA-N;138.17;-0.45;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP2_SP2";;;;;;;-1.34;;-4.31;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM422233;MM422233;CCCC1=CC(C#N)NC1;XDPCPZWFDWIXEH-UHFFFAOYSA-N;136.2;1.21;;;;;DOPC;MDCG;27;0;"MARTINI bead: SN0_SP1";;;;;;;0.34;;-1.53;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM422234;MM422234;C=CC(=CF)CC#CCN;WOYMBAHJSKUTFW-UHFFFAOYSA-N;139.17;1.38;;;;;DOPC;MDCG;27;1;"MARTINI bead: P2_C2";;;;;;;1.72;;-0.81;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM422235;MM422235;C#CC1(F)CC1CC1CC1;KSHTVZDSPYUAAX-UHFFFAOYSA-N;138.19;2.15;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNa_SC5";;;;;;;1.64;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM422236;MM422236;C=NNC=NN1C(C)C1C;TYAICLOLPSQPGR-UHFFFAOYSA-N;140.19;0.23;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP1_P2";;;;;;;-1.06;;-3.82;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM422237;MM422237;C=CC1C=C(CCC)CO1;OLTIDXNNQARVEG-UHFFFAOYSA-N;138.21;2.3;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC5_SNa";;;;;;;1.64;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM422238;MM422238;COC(C(=O)O)=C(N)CO;WWJFONZQWZAWPF-UHFFFAOYSA-N;147.13;-1.12;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_P1";;;;;;;-1.06;;-8.55;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM422239;MM422239;C=C(CC)C1CC(CC)C1;LCZILGMUEHXHBJ-UHFFFAOYSA-N;138.25;3.39;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC2_SC1";;;;;;;4.87;;0.53;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM422240;MM422240;C=CC(=CF)CC#CCO;YOKJRFPYGJQORN-UHFFFAOYSA-N;140.16;1.41;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_C2";;;;;;;1.72;;0.27;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM422241;MM422241;C#CC1(C)CC1NC1CC1;GHWPTGAGHODNTC-UHFFFAOYSA-N;135.21;1.15;;;;;DOPC;MDCG;27;1;"MARTINI bead: SC5_SP1";;;;;;;0.81;;-2.59;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM422242;MM422242;O=C1Nc2coc(=O)cc21;UHHIQQXXHADCCR-UHFFFAOYSA-N;137.09;0.21;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP2_SNa";;;;;;;-0.24;;-3.24;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM422243;MM422243;CCCC1=CC(C=O)OC1;RLALFDOYGPWRSA-UHFFFAOYSA-N;140.18;1.31;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC5_SP1";;;;;;;0.81;;-0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM422244;MM422244;C=C(CN)C1CC(CC)C1;CIFMSKTZNNCOPJ-UHFFFAOYSA-N;139.24;1.94;;;;;DOPC;MDCG;27;1;"MARTINI bead: SC2_SC5";;;;;;;3.6;;0.64;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM422245;MM422245;C#CC=C(C)C(C=O)=CC;UDXCTEUUAFSKRK-UHFFFAOYSA-N;134.18;1.71;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_C4";;;;;;;2.2;;0.34;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM422246;MM422246;C#CC1(N)CC1NC1CC1;LERBEIHKUDBZNM-UHFFFAOYSA-N;136.2;-0.16;;;;;DOPC;MDCG;27;1;"MARTINI bead: SNd_SP1";;;;;;;0.04;;-4.15;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM422247;MM422247;C=CC(=CF)CC#CCF;LQBXJVFOEUKZMC-UHFFFAOYSA-N;142.15;2.39;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_C2";;;;;;;2.83;;0.35;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM422248;MM422248;CCC(=O)CN(C=O)NC;ANNPAYSBNVRHCJ-UHFFFAOYSA-N;144.17;-0.44;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_P3";;;;;;;-1.1;;-4.2;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM422249;MM422249;O=C1Oc2coc(=O)cc21;IQDXOBJLWTYOMA-UHFFFAOYSA-N;138.08;0.17;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP1_SNa";;;;;;;0.04;;-2.54;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM422250;MM422250;CCCC1=CC(C#N)OC1;PIKJEVYMIJWWGW-UHFFFAOYSA-N;137.18;1.64;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC5_SNa";;;;;;;1.64;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM422251;MM422251;C#CC=C(F)C(C#N)=CN;ALXSYWVIVZGWQF-UHFFFAOYSA-N;136.13;0.84;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_C5";;;;;;;0.81;;-0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM422252;MM422252;CC=C(C=O)CC#CCC;DCSRRJXDHZLOGF-UHFFFAOYSA-N;136.19;1.94;;;;;DOPC;MDCG;27;0;"MARTINI bead: C3_Na";;;;;;;2.57;;0.45;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM422253;MM422253;C#CC1(O)CC1NC1CC1;SZVHAIKXBCLPGN-UHFFFAOYSA-N;137.18;-0.13;;;;;DOPC;MDCG;27;1;"MARTINI bead: SP1_SP1";;;;;;;-0.79;;-4.33;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM422254;MM422254;C=C(CF)C1CC(CC)C1;YOWDEDKPNSLKDZ-UHFFFAOYSA-N;142.22;2.95;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC2_SC4";;;;;;;4.16;;0.44;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM422255;MM422255;C=CC1C=C(CCC)OC1;PIKBYWLYMPCYFK-UHFFFAOYSA-N;138.21;2.5;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC4_SC5";;;;;;;2.97;;0.45;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM422256;MM422256;N=c1nc2c(co1)OC2=O;ORLSIRKHUSTVDQ-UHFFFAOYSA-N;138.08;-0.31;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP1_SP1";;;;;;;-0.79;;-3.13;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM422257;MM422257;C#CC=C(F)C(C=C)=NN;KYHPCUHFEHNZTD-UHFFFAOYSA-N;138.15;0.97;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nd_C5";;;;;;;1.64;;0.02;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM422258;MM422258;CC=C(C#N)CC#CCC;OSKOEWHVPIYYKS-UHFFFAOYSA-N;133.19;2.26;;;;;DOPC;MDCG;27;0;"MARTINI bead: C3_N0";;;;;;;2.87;;0.37;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM422259;MM422259;C#CC1(O)CC1OC1CC1;OTVYPQLCLTYSSC-UHFFFAOYSA-N;138.17;0.3;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP1_SP1";;;;;;;-0.79;;-3.13;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM422260;MM422260;C=C(CC)C1CC(CN)C1;IJMFVISKLJDPAL-UHFFFAOYSA-N;139.24;1.94;;;;;DOPC;MDCG;27;1;"MARTINI bead: SC1_SNd";;;;;;;2.91;;-0.57;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM422261;MM422261;C=NNC=NCC#CCF;ZCNLGFSSAZRNOM-UHFFFAOYSA-N;141.15;0.19;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_P2";;;;;;;0.54;;-1.09;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM422262;MM422262;CCCC1=CC(C=O)CO1;FGCZVMUXMVNQEC-UHFFFAOYSA-N;140.18;1.52;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC4_SNa";;;;;;;2.2;;0.34;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM422263;MM422263;C#CC=C(F)C(C=C)=NO;YDNPKDHYWCBMSH-UHFFFAOYSA-N;139.13;1.49;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda_C5";;;;;;;1.64;;0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM422264;MM422264;CC=C(C=O)CC#CCO;VYWKJHZMXHPYSJ-UHFFFAOYSA-N;138.17;0.52;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_Nda";;;;;;;0.87;;-1.99;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM422265;MM422265;C#CC1(N)CC1CC1CN1;ADVISMKTTAFQIA-UHFFFAOYSA-N;136.2;-0.3;;;;;DOPC;MDCG;27;1;"MARTINI bead: SNd_SP1";;;;;;;0.04;;-4.35;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM422266;MM422266;C=C(CO)C1CC(CN)C1;FLMLUELACMNQAP-UHFFFAOYSA-N;141.21;0.52;;;;;DOPC;MDCG;27;1;"MARTINI bead: SNd_SC5";;;;;;;1.64;;-2.71;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM422267;MM422267;OC=C1N=NN=N1;LTFGECKQXZHPET-UHFFFAOYSA-N;98.07;1.18;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNda_SN0";;;;;;;1.17;;-7.22;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM422268;MM422268;NC(=CC(=O)O)C(F)CO;DAAHHGGVRYLTQE-UHFFFAOYSA-N;149.12;-0.76;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_P2";;;;;;;-1.06;;-8.55;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM422269;MM422269;CC=C(C#N)CC#CCO;ZVOMPCGNEORBCL-UHFFFAOYSA-N;135.17;0.84;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_P2";;;;;;;0.54;;-1.09;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM422270;MM422270;CCCC1=CC(C#N)CO1;BVZDLGVZGKUECM-UHFFFAOYSA-N;137.18;1.84;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC4_SN0";;;;;;;2.5;;0.44;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM422271;MM422271;C#CC1(C)NC1CC1CC1;JDPBZQXVMJMSBY-UHFFFAOYSA-N;135.21;1.15;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP1_SC5";;;;;;;0.81;;-0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM422272;MM422272;C=C(CF)C1CC(CN)C1;SSSSVWSBPKHLRB-UHFFFAOYSA-N;143.21;1.5;;;;;DOPC;MDCG;27;1;"MARTINI bead: SNd_SC4";;;;;;;2.2;;-2.23;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM422273;MM422273;O=CN(O)CC#CC(=O)O;GJRCXVPYUYQGRZ-UHFFFAOYSA-N;143.1;-1.08;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_P1";;;;;;;-1.06;;-8.55;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM422274;MM422274;COn1[nH]c(=O)n(O)c1=O;HSZXVDYOBPQLRH-UHFFFAOYSA-N;147.09;-2.37;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP1_SP3";;;;;;;-1.93;;-9.09;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM422275;MM422275;CCCC1=CN(C=N)CC1;ODKCOBDZZFVCCX-UHFFFAOYSA-N;138.21;1.98;;;;;DOPC;MDCG;27;1;"MARTINI bead: SN0_SP1";;;;;;;0.34;;-5.05;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM422276;MM422276;CC=C(C=O)CC#CCF;NJUIGQFXLRBXIY-UHFFFAOYSA-N;140.16;1.49;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_C5";;;;;;;1.64;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM422277;MM422277;C#CC1(C)OC1CC1CC1;AAXOKMKHHATULT-UHFFFAOYSA-N;136.19;1.58;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNa_SC5";;;;;;;1.64;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM422278;MM422278;C#CC(=CC)C(C)=CCC;YSODLGFHLIASBW-UHFFFAOYSA-N;134.22;2.92;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1_C4";;;;;;;4.24;;0.42;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM422279;MM422279;CCC(CC(F)=CF)=NN;JVEDQLYFZSGUPT-UHFFFAOYSA-N;148.16;1.88;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nd_C5";;;;;;;1.64;;0.02;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM422280;MM422280;N=CN1C=C(CCN)CC1;VZWPYHKJBKKBPU-UHFFFAOYSA-N;139.2;0.53;;;;;DOPC;MDCG;27;1;"MARTINI bead: SP1_SP1";;;;;;;-0.79;;-6.67;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM422281;MM422281;O=c1cc2o[nH]c(=O)n2o1;SIAUUSDCBLNEHE-UHFFFAOYSA-N;142.07;-0.83;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP1_SP2";;;;;;;-1.06;;-3.82;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM422282;MM422282;CC=C(C#N)CC#CCF;PVJVHMRKSXTTAP-UHFFFAOYSA-N;137.16;1.82;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_Na";;;;;;;1.64;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM422283;MM422283;C#CC1(N)CC1CN1CC1;PSENBRIKFILEIF-UHFFFAOYSA-N;136.2;-0.35;;;;;DOPC;MDCG;27;1;"MARTINI bead: SNd_SP1";;;;;;;0.04;;-3.98;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM422284;MM422284;C#CC(=CC)C(C)=CCN;DLUBNNWRURPUIY-UHFFFAOYSA-N;135.21;1.47;;;;;DOPC;MDCG;27;1;"MARTINI bead: C4_Nd";;;;;;;2.2;;-1.66;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM422285;MM422285;C=C(CN)C1CC(CO)C1;HELDZNYWIJGOBQ-UHFFFAOYSA-N;141.21;0.52;;;;;DOPC;MDCG;27;1;"MARTINI bead: SC5_SNda";;;;;;;1.64;;-2.12;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM422286;MM422286;CCCC1=CN(C=O)CC1;LMVJTPKVNXRJQV-UHFFFAOYSA-N;139.2;1.53;;;;;DOPC;MDCG;27;0;"MARTINI bead: SN0_SP1";;;;;;;0.34;;-1.53;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM422287;MM422287;CCN=C(N)C(=O)C(=N)N;LRXXSIDXLGJPGL-UHFFFAOYSA-N;142.16;-1.13;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nd_P3";;;;;;;-1.1;;-3.93;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM422288;MM422288;N=c1[nH]oc2cc(N)cn12;QPHFZAYRJZZJMB-UHFFFAOYSA-N;138.13;-0.08;;;;;DOPC;MDCG;27;1;"MARTINI bead: SP1_SP1";;;;;;;-0.79;;-4.65;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM422289;MM422289;CCC#CCC(C=O)=CN;ZRMBGVHOTVNZKH-UHFFFAOYSA-N;137.18;0.83;;;;;DOPC;MDCG;27;0;"MARTINI bead: C3_P2";;;;;;;1.46;;-0.15;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM422290;MM422290;C=CC1(CC(O)CC)CC1;KYKOSXQHYZMUFA-UHFFFAOYSA-N;140.23;2.11;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda_SC4";;;;;;;2.2;;0.49;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM422291;MM422291;C#CC(=CC)C(C)=CCF;UGPJHTOWQAVEEY-UHFFFAOYSA-N;138.19;2.48;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4_C4";;;;;;;3.53;;0.53;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM422292;MM422292;NCCC1=CN(C=O)CC1;ZWTVDBHHDCIQNI-UHFFFAOYSA-N;140.19;0.08;;;;;DOPC;MDCG;27;1;"MARTINI bead: SP1_SP1";;;;;;;-0.79;;-5.59;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM422293;MM422293;CC(CC1CO1)C1(N)CC1;JRTGCBIDMSISOJ-UHFFFAOYSA-N;141.21;0.9;;;;;DOPC;MDCG;27;1;"MARTINI bead: SNa_SNd";;;;;;;0.87;;-4.8;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM422294;MM422294;C=CNC(C=O)=NN=CC;MQKBAHNUPXPVFK-UHFFFAOYSA-N;139.16;0.32;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_P1";;;;;;;0.81;;-0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM422295;MM422295;N#Cc1cc(=O)n(O)[nH]1;YGKDPSWCNNOSLO-UHFFFAOYSA-N;125.09;-0.71;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP2_SP1";;;;;;;-1.06;;-9.07;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM422296;MM422296;C=C(CC)C1CC(CF)C1;JGGTZOPGVGQUNV-UHFFFAOYSA-N;142.22;2.95;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC1_SC5";;;;;;;3.68;;0.46;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM422297;MM422297;C#CC(=CC)C(F)=CCC;ULGGQGFFWFJRCM-UHFFFAOYSA-N;138.19;2.83;;;;;DOPC;MDCG;27;0;"MARTINI bead: C3_C4";;;;;;;3.9;;0.47;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM422298;MM422298;CCCC1=CN(C=N)NC1;JSXGXNMUNQTMRU-UHFFFAOYSA-N;139.2;1.1;;;;;DOPC;MDCG;27;1;"MARTINI bead: SP1_SP3";;;;;;;-1.93;;-6.98;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM422299;MM422299;C=C(CC1CC1)C1(C)CC1;GAKUABIOHMOLBK-UHFFFAOYSA-N;136.24;3.14;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC4_SC5";;;;;;;2.97;;0.45;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM422300;MM422300;N=c1[nH]oc2nc(F)cn12;BUTNMFPALPJZHQ-UHFFFAOYSA-N;142.09;-0.13;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNa_SP2";;;;;;;-0.24;;-3.24;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM422301;MM422301;NC=C(C=O)CC#CCO;AHVYBRFKBNYLTQ-UHFFFAOYSA-N;139.15;-0.59;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_Nda";;;;;;;-0.24;;-3.31;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM422302;MM422302;C=C(CN)C1CC(CF)C1;COUVTOVKQAGYMO-UHFFFAOYSA-N;143.21;1.5;;;;;DOPC;MDCG;27;1;"MARTINI bead: SC5_SC5";;;;;;;2.41;;0.01;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM422303;MM422303;C#CC(=CF)C(F)=CCN;GJIGVDWGIMXKII-UHFFFAOYSA-N;143.14;1.29;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1_C5";;;;;;;0.81;;-2.63;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM422304;MM422304;N=CN1C=C(CCN)CN1;SEOSZDYBRBWKPM-UHFFFAOYSA-N;140.19;-0.35;;;;;DOPC;MDCG;27;1;"MARTINI bead: SP3_SP3";;;;;;;-3.07;;-8.76;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM422305;MM422305;C=C(C)N(C)C(=O)C=NN;FDKOUFMIOPVQTL-UHFFFAOYSA-N;141.17;-0.08;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4_P3";;;;;;;0.23;;-1.03;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM422306;MM422306;Cc1cc2o[nH]c(=N)n2n1;ZZEJPDAGHOAKAR-UHFFFAOYSA-N;138.13;0.04;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNa_SP2";;;;;;;-0.24;;-3.24;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM422307;MM422307;NC=C(C=O)CC#CCF;UKVHFNGGPDTBHF-UHFFFAOYSA-N;141.15;0.39;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_C5";;;;;;;0.54;;-1.09;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM422308;MM422308;C#CC(=C)C(C)C(O)CC;KGNCSQFWFIATQR-UHFFFAOYSA-N;138.21;1.58;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda_C4";;;;;;;2.2;;0.49;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM422309;MM422309;C#CC(=NN)C(C)=COC;WIKIBDBEYHMVBJ-UHFFFAOYSA-N;138.17;0.48;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_P1";;;;;;;0.81;;-0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM422310;MM422310;CCCC1=CN(C=O)NC1;DAEYEWMUPQWKRN-UHFFFAOYSA-N;140.19;0.65;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP1_SP2";;;;;;;-1.06;;-3.82;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM422311;MM422311;C=C(CC1CC1)C1(F)CC1;IXBRARITQGMHRT-UHFFFAOYSA-N;140.2;2.84;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC5_SC5";;;;;;;2.41;;0.64;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM422312;MM422312;CCC#CCC(C#N)=CF;MMLCGKZJNKUZOL-UHFFFAOYSA-N;137.16;2.17;;;;;DOPC;MDCG;27;0;"MARTINI bead: C3_Na";;;;;;;2.57;;0.45;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM422313;MM422313;C=CC1CN1N=CNN=C;ZQSFECVPJOYYQL-UHFFFAOYSA-N;138.17;0.01;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP1_P2";;;;;;;-1.06;;-3.82;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM422314;MM422314;CCC(=O)C1CC(CF)C1;YQYFDQFKLGGIRE-UHFFFAOYSA-N;144.19;1.96;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC5_SC5";;;;;;;2.41;;0.64;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM422315;MM422315;C#CC(=CF)C(C)=CC=O;YWLVMSQJIOWWJY-UHFFFAOYSA-N;138.14;1.62;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_C5";;;;;;;1.64;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM422316;MM422316;C=C(CC1CO1)C1(C)CC1;CPJOSMHKNMCACM-UHFFFAOYSA-N;138.21;2.13;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC4_SNa";;;;;;;2.2;;0.34;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM422317;MM422317;NCCC1=CN(C=O)NC1;VZAQZXUDQOFDEK-UHFFFAOYSA-N;141.17;-0.8;;;;;DOPC;MDCG;27;1;"MARTINI bead: SP3_SP2";;;;;;;-2.2;;-7.6;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM422318;MM422318;N#CC(O)C(=O)C(=O)O;AXUOGXAGORPRHV-UHFFFAOYSA-N;129.07;-1.48;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_P1";;;;;;;-1.06;;-9.07;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM422319;MM422319;O=CC(=CF)CC#CCO;OIGLFGDESXYUPG-UHFFFAOYSA-N;142.13;0.42;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda_Na";;;;;;;0.87;;-1.99;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM422320;MM422320;CCC1CC(C(=N)NN)C1;IPQHYHXTPJKFMP-UHFFFAOYSA-N;141.22;0.86;;;;;DOPC;MDCG;27;1;"MARTINI bead: SC2_SNd";;;;;;;2.83;;-1.67;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM422321;MM422321;C=C(CC1CO1)C1(N)CC1;JBCWBJZYLBUJJW-UHFFFAOYSA-N;139.2;0.82;;;;;DOPC;MDCG;27;1;"MARTINI bead: SNd_SNa";;;;;;;0.87;;-4.24;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM422322;MM422322;C#CC(=CC)C(N)=CC=O;UEOXATSPPLDOAF-UHFFFAOYSA-N;135.17;0.61;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4_P2";;;;;;;1.09;;-0.38;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM422323;MM422323;N=CN1C=C(CCN)CO1;WHKGEFYOWAVNRY-UHFFFAOYSA-N;141.17;0.07;;;;;DOPC;MDCG;27;1;"MARTINI bead: SP2_SP1";;;;;;;-1.06;;-6.27;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM422324;MM422324;CC(=O)C(=NO)C(C)(F)F;PCDLSFPWYJPGSD-UHFFFAOYSA-N;151.11;1.06;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_N0";;;;;;;0.06;;-7.41;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM422325;MM422325;CNC(=N)C1CC(CN)C1;NEMVCKYKKZYFFF-UHFFFAOYSA-N;141.22;0.17;;;;;DOPC;MDCG;27;1;"MARTINI bead: SNd_SNd";;;;;;;0.87;;-7.43;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM422326;MM422326;O=CC(=CF)CC#CCF;BEXYNAHHNIDSPN-UHFFFAOYSA-N;144.12;1.4;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_Na";;;;;;;0.87;;-2.22;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM422327;MM422327;C=C(CC1CO1)C1(O)CC1;REEZZXSCBMNMJZ-UHFFFAOYSA-N;140.18;0.86;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNda_SNa";;;;;;;0.87;;-1.99;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM422328;MM422328;C#CC(=CF)C(N)=CC=O;URNQEGPMBRNNQP-UHFFFAOYSA-N;139.13;0.51;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_C5";;;;;;;0.54;;-1.09;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM422329;MM422329;CCCC1=CN(C=O)OC1;CXJNPJCPNDTEQQ-UHFFFAOYSA-N;141.17;1.07;;;;;DOPC;MDCG;27;0;"MARTINI bead: SN0_SP2";;;;;;;0.06;;-2.21;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM422330;MM422330;N#CCNCC(=O)O;QGLKBDIZFCYGIX-UHFFFAOYSA-N;114.1;-0.82;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_P2";;;;;;;-1.06;;-9.08;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM422331;MM422331;N#CC(=CF)CC#CCF;IWLYJUVQOLXKFQ-UHFFFAOYSA-N;141.12;1.73;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_Na";;;;;;;1.64;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM422332;MM422332;N=C(NN)C1CC(CO)C1;ADPSZUFETFRANE-UHFFFAOYSA-N;143.19;-0.55;;;;;DOPC;MDCG;27;1;"MARTINI bead: SNd_SNda";;;;;;;0.87;;-5.66;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM422333;MM422333;C=C(CN1CC1)C1(N)CC1;HGDOXCYVIUGWBZ-UHFFFAOYSA-N;138.21;0.35;;;;;DOPC;MDCG;27;1;"MARTINI bead: SNd_SP1";;;;;;;0.04;;-4.66;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM422334;MM422334;C#CC(=CF)C(N)=CC#N;WWCSPRBNMXGDAF-UHFFFAOYSA-N;136.13;0.84;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_C5";;;;;;;0.81;;-0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM422335;MM422335;NCCC1=CN(C=O)OC1;INTGTKHCSFUCEG-UHFFFAOYSA-N;142.16;-0.38;;;;;DOPC;MDCG;27;1;"MARTINI bead: SP2_SP2";;;;;;;-1.34;;-6.75;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM422336;MM422336;N=C(NO)C1CC(CO)C1;WBDNGQOJGBYHAU-UHFFFAOYSA-N;144.17;-0.04;;;;;DOPC;MDCG;27;1;"MARTINI bead: SNda_SNda";;;;;;;0.87;;-4.62;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM422337;MM422337;NN=c1c(=O)o[nH]n1N;YQWZZFGEFWZGAE-UHFFFAOYSA-N;131.1;-2.74;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP2_SP2";;;;;;;-1.34;;-9.62;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM422338;MM422338;C=CC(CC#CCC)=NN;YLRTUHDWDYLIMJ-UHFFFAOYSA-N;136.2;1.29;;;;;DOPC;MDCG;27;0;"MARTINI bead: C3_Nd";;;;;;;2.57;;0.53;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM422339;MM422339;C#CCC1(CC2CO2)CC1;YLRPFRXHTYQKBY-UHFFFAOYSA-N;136.19;1.58;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC4_SNa";;;;;;;2.2;;0.34;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM422340;MM422340;C#CC(=CC)C(F)=CC#N;PZQNGJMECGQWHR-UHFFFAOYSA-N;135.14;1.94;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4_Na";;;;;;;2.2;;0.34;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM422341;MM422341;CCCC1=NN(C=N)CC1;IDOUUFUPPSGXHX-UHFFFAOYSA-N;139.2;1.46;;;;;DOPC;MDCG;27;0;"MARTINI bead: SN0_SP2";;;;;;;0.06;;-2.21;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM422342;MM422342;N#CC1CC(C(=O)O)N1;SHECUGWWTSSWOH-UHFFFAOYSA-N;126.12;-0.67;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP4_SP2";;;;;;;-2.29;;-9.64;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM422343;MM422343;N=C(NN)C1CC(CF)C1;COTGUJTWBGMLRH-UHFFFAOYSA-N;145.18;0.42;;;;;DOPC;MDCG;27;1;"MARTINI bead: SNd_SC5";;;;;;;1.64;;-3.65;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM422344;MM422344;C=CC(CC#CCC)=NO;BJPNEOVYQRLLQI-UHFFFAOYSA-N;137.18;1.81;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_Nda";;;;;;;1.64;;0.05;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM422345;MM422345;C=CC1(C2CC2F)CC1C;FKGKBNCHKMQWTL-UHFFFAOYSA-N;140.2;2.56;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC4_SNa";;;;;;;2.2;;0.34;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM422346;MM422346;CCCC1=NN(C=O)CC1;JBHKZVIWZWYWRO-UHFFFAOYSA-N;140.19;1;;;;;DOPC;MDCG;27;0;"MARTINI bead: SN0_SP2";;;;;;;0.06;;-2.21;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM422347;MM422347;C#CC(=CF)C(F)=CC=O;FFWZLXKQRIMNOM-UHFFFAOYSA-N;142.1;1.53;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_Na";;;;;;;1.64;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM422348;MM422348;ON=c1cnoc(O)n1;ATALUULWBMNDPO-UHFFFAOYSA-N;129.08;-0.93;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP3_SP3";;;;;;;-3.07;;-10.29;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM422349;MM422349;CNC(=O)C1CC(CF)C1;DAGRARHVKJIFOD-UHFFFAOYSA-N;145.18;0.73;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNda_SC5";;;;;;;1.64;;0.05;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM422350;MM422350;C=CC(CC#CCF)=NO;WYPANGOJRMJZBK-UHFFFAOYSA-N;141.15;1.37;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda_Na";;;;;;;0.87;;-1.99;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM422351;MM422351;CC1NC1(C#N)C1CC1F;HSSQDOQITHGDDA-UHFFFAOYSA-N;140.16;0.6;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP2_SNa";;;;;;;-0.24;;-3.24;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM422352;MM422352;C=CCC1=CC(C=C)CC1;GEDGJGFOGMUUPZ-UHFFFAOYSA-N;134.22;3.08;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC3_SC4";;;;;;;3.9;;0.47;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM422353;MM422353;C#CC(=CF)C(F)=CC#N;NEFIDBFLIIDFND-UHFFFAOYSA-N;139.1;1.85;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_Na";;;;;;;1.64;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM422354;MM422354;N#CCC1NC1C(=O)O;QFQSWXFGONXIBJ-UHFFFAOYSA-N;126.12;-0.67;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_SP2";;;;;;;-1.06;;-9.08;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM422355;MM422355;N=C(NOC=O)OC=NN;RDWQLFLOKYPXSE-UHFFFAOYSA-N;146.11;-1.48;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_P2";;;;;;;-1.06;;-3.82;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM422356;MM422356;O=C(O)C#CCC(=O)CO;ICMNXMYDMVGPCR-UHFFFAOYSA-N;142.11;-0.97;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_P1";;;;;;;-1.06;;-8.47;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM422357;MM422357;CC1NC1(C#N)C1CN1C;DMHBMEUFNBOSNF-UHFFFAOYSA-N;137.19;-0.45;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP2_SP1";;;;;;;-1.06;;-3.82;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM422358;MM422358;C=CC1C=C(CC=O)CC1;LNAYAXHRYNPLKS-UHFFFAOYSA-N;136.19;2.1;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC4_SN0";;;;;;;2.5;;0.44;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM422359;MM422359;C#CC(=CC)C(C)=NN=C;HWDLRZXDWZNBTG-UHFFFAOYSA-N;134.18;1.64;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4_C5";;;;;;;2.97;;0.45;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM422360;MM422360;C=c1cc2c(o1)=COC2C;HDYVNPAZMUQUIE-UHFFFAOYSA-N;136.15;0.52;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNa_SN0";;;;;;;1.17;;-1.18;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM422361;MM422361;O=C(NO)C1CC(CF)C1;TXFRZLNXTBAINJ-UHFFFAOYSA-N;147.15;0.49;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP1_SC5";;;;;;;0.81;;-0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM422362;MM422362;C#CC1(C2CC2F)CC1C;RSNDMGFPRJDAOB-UHFFFAOYSA-N;138.19;2;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC5_SNa";;;;;;;1.64;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM422363;MM422363;C=CC#CCC(C=C)=CC;MRYISRCTGCNCQL-UHFFFAOYSA-N;132.21;2.7;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1_C4";;;;;;;4.24;;0.42;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM422364;MM422364;C=CC1C=C(CC#N)CC1;MEBLNPSLXMRUGV-UHFFFAOYSA-N;133.19;2.42;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC4_SC5";;;;;;;2.97;;0.45;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM422365;MM422365;C#CC(=CN)C(C)=NN=C;YTCVCOAPFBNHQT-UHFFFAOYSA-N;135.17;0.54;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_P1";;;;;;;0.81;;-0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM422366;MM422366;C=c1cc2c(o1)=NOC2C;CSXIVURLSPKZPE-UHFFFAOYSA-N;137.14;0.32;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNa_SN0";;;;;;;1.17;;-1.18;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM422367;MM422367;C=C(OC)C1CC(CC)C1;RTAZIGPOCGHLKZ-UHFFFAOYSA-N;140.23;2.58;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC2_SC4";;;;;;;4.16;;0.44;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM422368;MM422368;C#CC1(C2CC2N)OC1C;UXGRAEDMESBBLF-UHFFFAOYSA-N;137.18;0.12;;;;;DOPC;MDCG;27;1;"MARTINI bead: SNa_SP1";;;;;;;0.04;;-5.05;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM422369;MM422369;C=CC(=CC)CC#CC=O;YJHBFRSOHUNZCV-UHFFFAOYSA-N;134.18;1.71;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1_P1";;;;;;;2.08;;0.48;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM422370;MM422370;C=CCC1=CC(C=O)CC1;FTWPLANROKVNSO-UHFFFAOYSA-N;136.19;2.1;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC3_SNa";;;;;;;2.57;;0.45;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM422371;MM422371;Cn1occ2oc(=N)nc1-2;HTJSTECYBKUWRC-UHFFFAOYSA-N;139.11;0.19;;;;;DOPC;MDCG;27;0;"MARTINI bead: SN0_SP2";;;;;;;0.06;;-2.21;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM422372;MM422372;C#CC(=CF)C(C)=NN=C;IPPPIFSWOSMZQJ-UHFFFAOYSA-N;138.15;1.55;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_C5";;;;;;;2.41;;0.64;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM422373;MM422373;C=CC(=CC)CC#CC#N;AENNRPFMKDGJEY-UHFFFAOYSA-N;131.18;2.04;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1_N0";;;;;;;3.21;;0.46;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM422374;MM422374;COC(=O)C1CC(CN)C1;NEPQUZNQTHTYJM-UHFFFAOYSA-N;143.19;0.14;;;;;DOPC;MDCG;27;1;"MARTINI bead: SNa_SNd";;;;;;;0.87;;-4.69;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM422375;MM422375;C#CC1(C2CC2O)OC1C;NTMJOKQGDBWPIZ-UHFFFAOYSA-N;138.17;0.16;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNa_SP1";;;;;;;0.04;;-2.54;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM422376;MM422376;C=CCC1=CC(C#N)CC1;RSSOCHWOQBLOMQ-UHFFFAOYSA-N;133.19;2.42;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC3_SN0";;;;;;;2.87;;0.37;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM422377;MM422377;C#CC=C(C)C(C#C)=CC;QGXSOAXCTHLRIX-UHFFFAOYSA-N;130.19;2.15;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4_C4";;;;;;;3.53;;0.53;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM422378;MM422378;Cn1occ2oc(=O)nc1-2;AUMQMGXAOXQEMN-UHFFFAOYSA-N;140.1;0.07;;;;;DOPC;MDCG;27;0;"MARTINI bead: SN0_SP2";;;;;;;0.06;;-2.21;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM422379;MM422379;C=CC#CCC(C=C)=CF;CSRREJWTRKLZOZ-UHFFFAOYSA-N;136.17;2.61;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4_C4";;;;;;;3.53;;0.53;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM422380;MM422380;CCC1(CC2CC2)CC1C;ZKSKHWDQRNBDFV-UHFFFAOYSA-N;138.25;3.22;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC3_SC5";;;;;;;3.34;;0.48;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM422381;MM422381;C=C(CC)C1CC(NC)C1;RLXBVKPQGZSOJN-UHFFFAOYSA-N;139.24;1.95;;;;;DOPC;MDCG;27;1;"MARTINI bead: SC1_SNd";;;;;;;2.91;;-0.72;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM422382;MM422382;C#CC=C(F)C(C#C)=CF;JDEHTKLJUKBUBE-UHFFFAOYSA-N;138.12;1.96;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_C5";;;;;;;2.41;;0.64;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM422383;MM422383;O=CCC1=CC(C=O)CC1;FCPPSVRBYHQKGG-UHFFFAOYSA-N;138.17;1.11;;;;;DOPC;MDCG;27;0;"MARTINI bead: SN0_SNa";;;;;;;1.17;;-1.18;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM422384;MM422384;N=c1nc2n(N)occ-2o1;MYEDRSRHUAOBCT-UHFFFAOYSA-N;140.1;-0.63;;;;;DOPC;MDCG;27;0;"MARTINI bead: SN0_SP3";;;;;;;-0.8;;-2.99;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM422385;MM422385;C=CC(=CF)CC#CC=O;CKQZNMRFFKZNHF-UHFFFAOYSA-N;138.14;1.62;;;;;DOPC;MDCG;27;0;"MARTINI bead: C2_P1";;;;;;;2;;0.29;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM422386;MM422386;CC1CC1(CF)CC1CC1;QOYHLLIUFVLJLY-UHFFFAOYSA-N;142.22;2.78;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC5_SC5";;;;;;;2.41;;0.64;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM422387;MM422387;C=C(CN)C1CC(NC)C1;WQQQPVVYNVDVNF-UHFFFAOYSA-N;140.23;0.5;;;;;DOPC;MDCG;27;1;"MARTINI bead: SNd_SC5";;;;;;;1.64;;-2.94;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM422388;MM422388;C#CC=C(F)C(C#C)=NN;QTICOXNINYKBRE-UHFFFAOYSA-N;136.13;0.42;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_C5";;;;;;;0.81;;-0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM422389;MM422389;N#CCC1=CC(C=O)CC1;WADBOBJEQKQLSC-UHFFFAOYSA-N;135.17;1.44;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNa_SC5";;;;;;;1.64;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM422390;MM422390;Nn1occ2oc(=O)nc1-2;CKGNJKSVEVFWPF-UHFFFAOYSA-N;141.09;-0.75;;;;;DOPC;MDCG;27;0;"MARTINI bead: SN0_SP2";;;;;;;0.06;;-2.21;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM422391;MM422391;C=C(CO)C1CC(NC)C1;FWGUCZPCSDSRCZ-UHFFFAOYSA-N;141.21;0.53;;;;;DOPC;MDCG;27;1;"MARTINI bead: SNd_SC5";;;;;;;1.64;;-2.87;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM422392;MM422392;C=CC(=CF)CC#CC#N;GPHIZATTXVHXFM-UHFFFAOYSA-N;135.14;1.94;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4_N0";;;;;;;2.5;;0.44;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM422393;MM422393;CCC1(CC2CC2)CC1N;GERFAGOUMOJAHS-UHFFFAOYSA-N;139.24;1.91;;;;;DOPC;MDCG;27;1;"MARTINI bead: SNd_SC5";;;;;;;1.64;;-2.21;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM422394;MM422394;CCCC(C)=C(CC)CC;JEYKMHZFNGQBCX-UHFFFAOYSA-N;140.27;3.92;;;;;DOPC;MDCG;27;0;"MARTINI bead: C3_C1";;;;;;;4.61;;0.31;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM422395;MM422395;N#CCC1=CC(C#N)CC1;IINBTFUFSJMNFW-UHFFFAOYSA-N;132.17;1.76;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC5_SN0";;;;;;;1.94;;0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM422396;MM422396;N=c1nc2n(O)occ-2o1;GWRJJHNQPRIFSC-UHFFFAOYSA-N;141.09;-0.11;;;;;DOPC;MDCG;27;0;"MARTINI bead: SN0_SP2";;;;;;;0.06;;-2.21;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM422397;MM422397;C=C(CF)C1CC(NC)C1;WGMOGNLPHRSMLX-UHFFFAOYSA-N;143.21;1.51;;;;;DOPC;MDCG;27;1;"MARTINI bead: SNd_SC4";;;;;;;2.2;;-2.4;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM422398;MM422398;C=CC#CCC(C=O)=CC;CVEZETAOBPSTCD-UHFFFAOYSA-N;134.18;1.71;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_C4";;;;;;;2.2;;0.34;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM422399;MM422399;CCC1(NC2CC2)CC1C;YZRGBHAHFGVEQN-UHFFFAOYSA-N;139.24;1.93;;;;;DOPC;MDCG;27;1;"MARTINI bead: SC3_SP1";;;;;;;1.74;;-2.11;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM422400;MM422400;CCC(CN)=C(C)CCO;PGGYQQUGHCZMIY-UHFFFAOYSA-N;143.23;1.05;;;;;DOPC;MDCG;27;1;"MARTINI bead: C5_P1";;;;;;;0.81;;-2.72;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM422401;MM422401;O=c1nc2n(O)occ-2o1;SFBSQUQNVUOJQE-UHFFFAOYSA-N;142.07;-0.23;;;;;DOPC;MDCG;27;0;"MARTINI bead: SN0_SP2";;;;;;;0.06;;-2.21;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM422402;MM422402;C=CC1C=C(NC=N)CC1;DZOMQWVICFZJJT-UHFFFAOYSA-N;136.2;1.66;;;;;DOPC;MDCG;27;1;"MARTINI bead: SC4_SNd";;;;;;;2.2;;-3.16;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM422403;MM422403;C=C(OC)C1CC(NC)C1;OSGZJNFFWJKAAH-UHFFFAOYSA-N;141.21;1.14;;;;;DOPC;MDCG;27;1;"MARTINI bead: SNd_SC4";;;;;;;2.2;;-2.39;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM422404;MM422404;CCC1(NC2CC2)CC1O;HJLYGVJFZZHLIF-UHFFFAOYSA-N;141.21;0.65;;;;;DOPC;MDCG;27;1;"MARTINI bead: SNda_SP1";;;;;;;0.04;;-4.68;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM422405;MM422405;C=CC#CCC(C#N)=CC;MHBYHNBEYNEGIA-UHFFFAOYSA-N;131.18;2.04;;;;;DOPC;MDCG;27;0;"MARTINI bead: N0_C4";;;;;;;2.5;;0.44;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM422406;MM422406;Cn1onc2oc(=N)nc1-2;DDFYBDVFYLQHQT-UHFFFAOYSA-N;140.1;-0.41;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP1_SP3";;;;;;;-1.93;;-4.72;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM422407;MM422407;CCC(CN)=C(C)CCF;QHEBHUXSZZATFV-UHFFFAOYSA-N;145.22;2.03;;;;;DOPC;MDCG;27;1;"MARTINI bead: C5_C5";;;;;;;2.41;;0.02;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM422408;MM422408;N=CNC1=CC(C=O)CC1;IEOQNQARZGJWRA-UHFFFAOYSA-N;138.17;0.68;;;;;DOPC;MDCG;27;1;"MARTINI bead: SNd_SNa";;;;;;;0.87;;-5.6;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM422409;MM422409;C=C(CN)C1CC(OC)C1;GTWRWFRYDVTKBT-UHFFFAOYSA-N;141.21;0.93;;;;;DOPC;MDCG;27;1;"MARTINI bead: SNa_SC5";;;;;;;1.64;;-2.18;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM422410;MM422410;CCC1(OC2CC2)CC1C;KHZSBHDCDJMGHC-UHFFFAOYSA-N;140.23;2.35;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC3_SP1";;;;;;;1.74;;0.29;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM422411;MM422411;CC=C(C=O)CC#CC=O;DJQYLBDYJDPYAA-UHFFFAOYSA-N;136.15;0.72;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_C5";;;;;;;1.64;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM422412;MM422412;Cn1onc2oc(=O)nc1-2;ZVCNFWMYPFENET-UHFFFAOYSA-N;141.09;-0.53;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP1_SP2";;;;;;;-1.06;;-3.82;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM422413;MM422413;C=NN=C1C=C(N)CC1;YJDHPXNOMJUHDK-UHFFFAOYSA-N;123.16;0.68;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNd_SC5";;;;;;;1.64;;0.02;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM422414;MM422414;N#CC1C=C(NC=N)CC1;UOYWGQZQNKKTLE-UHFFFAOYSA-N;135.17;1;;;;;DOPC;MDCG;27;1;"MARTINI bead: SNd_SN0";;;;;;;1.17;;-4.71;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM422415;MM422415;C=C(C#N)C(C)NN=CC;OZGSKFIVUSLSPJ-UHFFFAOYSA-N;137.19;1.05;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nd_C5";;;;;;;1.64;;0.02;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM422416;MM422416;CC1CC1(CN)OC1CC1;LDLHCFXMOSBPLE-UHFFFAOYSA-N;141.21;0.9;;;;;DOPC;MDCG;27;1;"MARTINI bead: SNd_SP1";;;;;;;0.04;;-4.75;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM422417;MM422417;CC=C(C=O)CC#CC#N;UMCUVZABOJQOIB-UHFFFAOYSA-N;133.15;1.05;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_N0";;;;;;;1.17;;-1.18;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM422418;MM422418;N=c1nc2n(N)onc-2o1;RSOWDEWWYPHZML-UHFFFAOYSA-N;141.09;-1.24;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP1_SP3";;;;;;;-1.93;;-4.72;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM422419;MM422419;CCCC(C)=C(CN)CN;HKYFSSNLSXITEY-UHFFFAOYSA-N;142.25;1.02;;;;;DOPC;MDCG;27;1;"MARTINI bead: C5_P2";;;;;;;0.54;;-3.27;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM422420;MM422420;C=COC1=CC(C=C)CC1;KTFCJLAPGSBIQD-UHFFFAOYSA-N;136.19;2.63;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC4_SC4";;;;;;;3.53;;0.53;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM422421;MM422421;CC1CC1(CO)OC1CC1;FUEDNQWTMNMZOE-UHFFFAOYSA-N;142.2;0.94;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNda_SP1";;;;;;;0.04;;-2.73;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM422422;MM422422;CCC(=O)C1CC(OC)C1;IKUSVVCHAPVKHO-UHFFFAOYSA-N;142.2;1.39;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC5_SNa";;;;;;;1.64;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM422423;MM422423;CC=C(C#N)CC#CC=O;VFZAWUWAUJYOFM-UHFFFAOYSA-N;133.15;1.05;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_P1";;;;;;;0.81;;-0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM422424;MM422424;Nn1onc2oc(=O)nc1-2;SWJOMTPGODQMHQ-UHFFFAOYSA-N;142.07;-1.36;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP1_SP2";;;;;;;-1.06;;-3.82;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM422425;MM422425;CC(CCN)=C(CN)CF;YGVODGLTLSCPQO-UHFFFAOYSA-N;146.21;0.58;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nda_P2";;;;;;;-0.24;;-6.13;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM422426;MM422426;C=COC1=CC(C=O)CC1;SNGMSGFSLZQUJD-UHFFFAOYSA-N;138.17;1.64;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC4_SNa";;;;;;;2.2;;0.34;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM422427;MM422427;CNC(=N)C1CC(OC)C1;GXHYJPXHWMTAPT-UHFFFAOYSA-N;142.2;0.61;;;;;DOPC;MDCG;27;1;"MARTINI bead: SNd_SNa";;;;;;;0.87;;-7.13;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM422428;MM422428;CCC1(OC2CC2)CC1N;SMHQRPMFIKCZBM-UHFFFAOYSA-N;141.21;1.05;;;;;DOPC;MDCG;27;1;"MARTINI bead: SNd_SP1";;;;;;;0.04;;-4.5;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM422429;MM422429;CCC(CCCF)C(C)O;RZMBUYIJQIDJSF-UHFFFAOYSA-N;148.22;2.14;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_C4";;;;;;;2.97;;0.45;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM422430;MM422430;N=c1nc2n(O)onc-2o1;GYTYUIOVOGUYSP-UHFFFAOYSA-N;142.07;-0.71;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP1_SP3";;;;;;;-1.93;;-4.72;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM422431;MM422431;CC(CCN)=C(CF)CF;VDFMQKLNEHHPCB-UHFFFAOYSA-N;149.18;1.59;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nda_Na";;;;;;;0.87;;-4.75;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM422432;MM422432;C=COC1=CC(C#N)CC1;ZHFOEFBXZLAMIR-UHFFFAOYSA-N;135.17;1.96;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC4_SN0";;;;;;;2.5;;0.44;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM422433;MM422433;CC1CC1(CN)CC1CN1;JZOBXDPGVASOAV-UHFFFAOYSA-N;140.23;0.33;;;;;DOPC;MDCG;27;1;"MARTINI bead: SNd_SP1";;;;;;;0.04;;-5.12;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM422434;MM422434;CNC(=O)C1CC(OC)C1;CEXCVQFLYIWNJH-UHFFFAOYSA-N;143.19;0.16;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNda_SNa";;;;;;;0.87;;-1.99;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM422435;MM422435;C=c1occ2c1=CC(C)C2;KQNWZZVVEOOXOX-UHFFFAOYSA-N;134.18;0.66;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC4_SC5";;;;;;;2.97;;0.45;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM422436;MM422436;N#CC#CCC(C=O)=CN;YFRJXJMZBFRCDS-UHFFFAOYSA-N;134.14;-0.06;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_N0";;;;;;;0.34;;-1.53;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM422437;MM422437;CC(CCF)=C(CF)CF;DDWMODOYSQYQCV-UHFFFAOYSA-N;152.16;2.6;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4_Na";;;;;;;2.2;;0.34;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM422438;MM422438;C=CCC1=CC(C=C)NC1;ZNNGRJPWQLTAFV-UHFFFAOYSA-N;135.21;1.65;;;;;DOPC;MDCG;27;1;"MARTINI bead: SN0_SNd";;;;;;;1.17;;-3.81;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM422439;MM422439;NC1CC1(CO)CC1CN1;UKTCUADBOOFJRY-UHFFFAOYSA-N;142.2;-0.94;;;;;DOPC;MDCG;27;1;"MARTINI bead: SP2_SP1";;;;;;;-1.06;;-5.77;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM422440;MM422440;C=C(OC)C1CC(OC)C1;NXKKIVVBGXNFEV-UHFFFAOYSA-N;142.2;1.57;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNa_SC4";;;;;;;2.2;;0.34;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM422441;MM422441;C=c1occ2c1=CC(N)C2;IJQGJPPBNLLIFE-UHFFFAOYSA-N;135.17;-0.65;;;;;DOPC;MDCG;27;1;"MARTINI bead: SNd_SC5";;;;;;;1.64;;-1.94;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM422442;MM422442;C=CC#CCC(C=O)=CF;JTHIEGUYGOKJJK-UHFFFAOYSA-N;138.14;1.62;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_C4";;;;;;;2.2;;0.34;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM422443;MM422443;CCC(CC)=C(F)CCF;MRZMXEGWAANBGL-UHFFFAOYSA-N;148.2;3.39;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1_C5";;;;;;;3.68;;0.46;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM422444;MM422444;C=CC1C=C(CC#N)CN1;WSMYLGDCVPEORO-UHFFFAOYSA-N;134.18;0.98;;;;;DOPC;MDCG;27;1;"MARTINI bead: SNd_SP1";;;;;;;0.04;;-4.39;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM422445;MM422445;CNC1(CC2CN2)CC1C;CRRJMDHPTCSOBE-UHFFFAOYSA-N;140.23;0.35;;;;;DOPC;MDCG;27;1;"MARTINI bead: SNd_SP1";;;;;;;0.04;;-5.28;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM422446;MM422446;COC(=O)C1CC(OC)C1;SQPLYJVVTLZLHA-UHFFFAOYSA-N;144.17;0.58;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNa_SNa";;;;;;;0.87;;-2.22;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM422447;MM422447;C=CC#CCC(C#N)=CF;DUOBLYLKLWCTAI-UHFFFAOYSA-N;135.14;1.94;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_C4";;;;;;;2.2;;0.34;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM422448;MM422448;C=c1occ2c1=CC(O)C2;OSRJULSUQUIOAU-UHFFFAOYSA-N;136.15;-0.61;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNda_SC5";;;;;;;1.64;;0.05;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM422449;MM422449;CCCC(F)=C(CC)CN;HKLSNYFNHFQWOE-UHFFFAOYSA-N;145.22;2.38;;;;;DOPC;MDCG;27;1;"MARTINI bead: C3_Nda";;;;;;;2.57;;-1.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM422450;MM422450;C=CCC1=CC(C=O)NC1;KATVBCQQWOYNSG-UHFFFAOYSA-N;137.18;0.66;;;;;DOPC;MDCG;27;1;"MARTINI bead: SN0_SP2";;;;;;;0.06;;-3.71;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM422451;MM422451;C=C(CC)C1CC(CO)N1;FXDAMTLPFRONHY-UHFFFAOYSA-N;141.21;0.68;;;;;DOPC;MDCG;27;1;"MARTINI bead: SNd_SP2";;;;;;;-0.24;;-5.38;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM422452;MM422452;CNC1(CC2CN2)CC1N;CMILTBHLIFJFJL-UHFFFAOYSA-N;141.22;-0.96;;;;;DOPC;MDCG;27;1;"MARTINI bead: SP2_SP1";;;;;;;-1.06;;-5.84;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM422453;MM422453;C=c1occ2c1=CC(F)C2;IOQMKFJHNMXKFB-UHFFFAOYSA-N;138.14;0.36;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC5_SC5";;;;;;;2.41;;0.64;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM422454;MM422454;CCCC(F)=C(CN)CF;UTOWDQWRESCVPR-UHFFFAOYSA-N;149.18;1.94;;;;;DOPC;MDCG;27;1;"MARTINI bead: C5_Na";;;;;;;1.64;;-2.02;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM422455;MM422455;C=CC#CCC(C=C)=NN;CBUHAXPQAMHLIU-UHFFFAOYSA-N;134.18;1.07;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nd_C4";;;;;;;2.2;;0.32;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM422456;MM422456;C=CCC1=CC(C#N)NC1;JMUQZDNWMSLMFT-UHFFFAOYSA-N;134.18;0.98;;;;;DOPC;MDCG;27;0;"MARTINI bead: SN0_SP1";;;;;;;0.34;;-1.53;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM422457;MM422457;CCC1(CC2CO2)CC1C;ISLCDUHIUHMTIW-UHFFFAOYSA-N;140.23;2.21;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC3_SNa";;;;;;;2.57;;0.45;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM422458;MM422458;C=C(CC)C1CC(CF)N1;AGIOCFSHPNPURB-UHFFFAOYSA-N;143.21;1.65;;;;;DOPC;MDCG;27;1;"MARTINI bead: SN0_SP1";;;;;;;0.34;;-2.81;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM422459;MM422459;NCCC(F)=C(CO)CO;LAYRAWFDAFGLCW-UHFFFAOYSA-N;149.17;-0.46;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1_P2";;;;;;;-1.06;;-6.49;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM422460;MM422460;C=c1occ2c1=CC(C)O2;YSUYRQNTMSGRNX-UHFFFAOYSA-N;136.15;0.25;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNa_SN0";;;;;;;1.17;;-1.18;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM422461;MM422461;C=CC#CCC(C=C)=NO;KWONFNVGMXOPKH-UHFFFAOYSA-N;135.17;1.58;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda_C4";;;;;;;2.2;;0.49;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM422462;MM422462;N#CCC1=CC(C#N)NC1;QUDYUJHMLNDYJA-UHFFFAOYSA-N;133.15;0.32;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP1_SP1";;;;;;;-0.79;;-3.13;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM422463;MM422463;CC1CC1(CN)CC1CO1;XSXBLPWLDHZPHS-UHFFFAOYSA-N;141.21;0.76;;;;;DOPC;MDCG;27;1;"MARTINI bead: SNd_SNa";;;;;;;0.87;;-4.37;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM422464;MM422464;C=C(CC)C1CC(CC)O1;RCPYYCKFSYMRAI-UHFFFAOYSA-N;140.23;2.52;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNa_SC5";;;;;;;1.64;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM422465;MM422465;OCCC(F)=C(CO)CO;HYSPGLFSYDMWGM-UHFFFAOYSA-N;150.15;-0.42;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_P2";;;;;;;-1.06;;-3.82;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM422466;MM422466;N=CN(C=O)N=CC(=O)O;GURCEWGOHGVGLQ-UHFFFAOYSA-N;143.1;-0.88;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_P2";;;;;;;-1.06;;-8.47;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM422467;MM422467;C=c1occ2c1=NN(C)C2;VIGGLBIDRRKUGN-UHFFFAOYSA-N;136.15;-0.33;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP1_SP1";;;;;;;-0.79;;-3.13;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM422468;MM422468;C=CC1C=C(NC=N)CN1;JIYUDGZAJSXUPC-UHFFFAOYSA-N;137.19;0.22;;;;;DOPC;MDCG;27;1;"MARTINI bead: SNd_SP2";;;;;;;-0.24;;-6.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM422469;MM422469;CCC1(CC2CO2)CC1N;CAWBAPAKYSOIKE-UHFFFAOYSA-N;141.21;0.9;;;;;DOPC;MDCG;27;1;"MARTINI bead: SNd_SNa";;;;;;;0.87;;-4.2;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM422470;MM422470;C=C(CN)C1CC(CC)O1;WWHXCNOHCDTLJA-UHFFFAOYSA-N;141.21;1.07;;;;;DOPC;MDCG;27;1;"MARTINI bead: SNa_SP1";;;;;;;0.04;;-4.71;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM422471;MM422471;CCC(CF)=C(C)CNC;ZRSYWWXIKVJHGD-UHFFFAOYSA-N;145.22;1.9;;;;;DOPC;MDCG;27;1;"MARTINI bead: C5_Nda";;;;;;;1.64;;-2.31;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM422472;MM422472;N=Cn1[nH]nc(O)c1=O;ADJSJCIGWCQJAD-UHFFFAOYSA-N;128.09;-1.27;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP2_SP3";;;;;;;-2.2;;-9.45;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM422473;MM422473;Oc1cnno1;BOWYQHCFTNADQJ-UHFFFAOYSA-N;86.05;-0.22;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP1_SP2";;;;;;;-1.06;;-9.08;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM422474;MM422474;N=CNC1=CC(C=O)NC1;UVRCXGCCBWTJAH-UHFFFAOYSA-N;139.16;-0.76;;;;;DOPC;MDCG;27;1;"MARTINI bead: SP2_SP2";;;;;;;-1.34;;-7.64;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM422475;MM422475;CCC1(CC2CO2)CC1O;SSDARZLGPJGPGG-UHFFFAOYSA-N;142.2;0.94;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNda_SNa";;;;;;;0.87;;-1.99;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM422476;MM422476;C=C(CC)C1CC(CN)O1;KMISOKKTXJZJFH-UHFFFAOYSA-N;141.21;1.07;;;;;DOPC;MDCG;27;1;"MARTINI bead: SC5_SP1";;;;;;;0.81;;-2.56;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM422477;MM422477;CNCC(C)=C(CF)CF;YKVISUVUFFVAOO-UHFFFAOYSA-N;149.18;1.46;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nda_Na";;;;;;;0.87;;-4.42;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM422478;MM422478;C=C1C=c2c(coc2=C)C1;WZXWDDGVHQHAIX-UHFFFAOYSA-N;132.16;0.58;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC4_SC5";;;;;;;2.97;;0.45;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM422479;MM422479;C#CC#CCC(C=C)=CC;JSHVLAHTSNPNDL-UHFFFAOYSA-N;130.19;2.15;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1_C4";;;;;;;4.24;;0.42;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM422480;MM422480;CNC1(CC2CO2)CC1C;PPNTYLWXUUOCEV-UHFFFAOYSA-N;141.21;0.77;;;;;DOPC;MDCG;27;1;"MARTINI bead: SNd_SNa";;;;;;;0.87;;-4.68;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM422481;MM422481;N#CC1C=C(NC=N)CN1;CHWFJJCOWAHWMO-UHFFFAOYSA-N;136.16;-0.44;;;;;DOPC;MDCG;27;1;"MARTINI bead: SP2_SP1";;;;;;;-1.06;;-7.08;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM422482;MM422482;C=C(CN)C1CC(CN)O1;ICXGJDLAMXPCQB-UHFFFAOYSA-N;142.2;-0.38;;;;;DOPC;MDCG;27;1;"MARTINI bead: SP1_SP1";;;;;;;-0.79;;-5.56;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM422483;MM422483;C=C1CC=c2oc(=C)cc21;VGBPSNUXYYUPDH-UHFFFAOYSA-N;132.16;0.89;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC5_SC4";;;;;;;2.97;;0.45;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM422484;MM422484;CCC(CC)=C(C)COC;AOVUGEFSAIVZJT-UHFFFAOYSA-N;142.24;2.77;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1_P1";;;;;;;2.08;;0.48;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM422485;MM422485;C#CC#CCC(C=C)=CF;YWJPMNJJESPXPW-UHFFFAOYSA-N;134.15;2.05;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4_C4";;;;;;;3.53;;0.53;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM422486;MM422486;CC1NC1(CN)CC1CC1;GDLHKSDOAGJLKH-UHFFFAOYSA-N;140.23;0.48;;;;;DOPC;MDCG;27;1;"MARTINI bead: SP2_SC5";;;;;;;0.54;;-3.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM422487;MM422487;C=C(CC)C1CC(CO)O1;FQEQFOAPGDRAFL-UHFFFAOYSA-N;142.2;1.1;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC5_SP1";;;;;;;0.81;;-0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM422488;MM422488;C=COC1=CC(C=C)NC1;FHKDNVAUPBIJIC-UHFFFAOYSA-N;137.18;1.19;;;;;DOPC;MDCG;27;1;"MARTINI bead: SNa_SNd";;;;;;;0.87;;-3.63;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM422489;MM422489;C=c1cc2c(o1)=CCC2=O;CKWCIAICASVAGN-UHFFFAOYSA-N;134.13;0.06;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC5_SNa";;;;;;;1.64;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM422490;MM422490;C#CC#CCC(C=O)=CC;LNCRJFMITXQSJB-UHFFFAOYSA-N;132.16;1.16;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_C4";;;;;;;2.2;;0.34;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM422491;MM422491;CCC(OC)=C(C)CCN;FRCXUOJLEUXNBA-UHFFFAOYSA-N;143.23;1.67;;;;;DOPC;MDCG;27;1;"MARTINI bead: C1_P1";;;;;;;2.08;;-1.13;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM422492;MM422492;C=COC1=CC(C#N)NC1;FQGDCRNAQQGAIB-UHFFFAOYSA-N;136.15;0.53;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNa_SP1";;;;;;;0.04;;-2.54;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM422493;MM422493;CC1NC1(CN)CC1CN1;NEQIKSRAEBATTA-UHFFFAOYSA-N;141.22;-0.96;;;;;DOPC;MDCG;27;1;"MARTINI bead: SP2_SP1";;;;;;;-1.06;;-5.8;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM422494;MM422494;C=C(CC)C1CC(CF)O1;XYEIGRRNFWYQSA-UHFFFAOYSA-N;144.19;2.08;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC5_SNa";;;;;;;1.64;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM422495;MM422495;C=c1cc2c(o1)=CNC2=O;YWLUTNJJLKMADU-UHFFFAOYSA-N;135.12;-0.83;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC5_SP2";;;;;;;0.54;;-1.09;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM422496;MM422496;C#CC#CCC(C#N)=CC;JKDLXFWXKLDTEX-UHFFFAOYSA-N;129.16;1.48;;;;;DOPC;MDCG;27;0;"MARTINI bead: N0_C4";;;;;;;2.5;;0.44;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM422497;MM422497;CCC(OC)=C(C)CCO;KFOHVFZPWORQOE-UHFFFAOYSA-N;144.21;1.7;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1_P1";;;;;;;2.08;;0.48;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM422498;MM422498;C=CCC1=CC(C=C)OC1;AEQHFGXTWUWEKN-UHFFFAOYSA-N;136.19;2.07;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC5_SNa";;;;;;;1.64;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM422499;MM422499;CCC1(CC2CC2)OC1C;YUJZLBRBICRSHI-UHFFFAOYSA-N;140.23;2.35;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNa_SC5";;;;;;;1.64;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM422500;MM422500;C=C(CC)C1CN(CC)C1;BFMIRHXXEBCFBP-UHFFFAOYSA-N;139.24;1.9;;;;;DOPC;MDCG;27;1;"MARTINI bead: SNd_SN0";;;;;;;1.17;;-2.73;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM422501;MM422501;C=c1cc2c(o1)=COC2=O;RZONDBUPOODCHH-UHFFFAOYSA-N;136.11;-0.4;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC5_SNa";;;;;;;1.64;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM422502;MM422502;C#CC#CCC(C=O)=CN;XMNPUHFBHZUMDY-UHFFFAOYSA-N;133.15;0.05;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_C4";;;;;;;1.09;;-0.38;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM422503;MM422503;COC(CO)=C(C)CCO;OXVVEOUAUGKAOP-UHFFFAOYSA-N;146.19;0.28;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_Nda";;;;;;;-0.24;;-3.31;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM422504;MM422504;C=CC1C=C(CC#N)CO1;GAZMKWXHRJXILT-UHFFFAOYSA-N;135.17;1.41;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNa_SN0";;;;;;;1.17;;-1.18;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM422505;MM422505;CC1OC1(CN)CC1CN1;LVDPKVNCCZBREO-UHFFFAOYSA-N;142.2;-0.54;;;;;DOPC;MDCG;27;1;"MARTINI bead: SP1_SP1";;;;;;;-0.79;;-5.19;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM422506;MM422506;C=C(CO)C1CN(CC)C1;KUZXXQDLSXEGRL-UHFFFAOYSA-N;141.21;0.49;;;;;DOPC;MDCG;27;1;"MARTINI bead: SNd_SP1";;;;;;;0.04;;-3.84;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM422507;MM422507;CN1CC(F)C=N1;CKAIVUVTEKDYOV-UHFFFAOYSA-N;102.11;0.26;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP1_SP1";;;;;;;-0.79;;-3.13;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM422508;MM422508;CCC(OC)=C(F)CCN;OTBGZWBWPRNCCQ-UHFFFAOYSA-N;147.19;1.57;;;;;DOPC;MDCG;27;1;"MARTINI bead: C4_P1";;;;;;;1.37;;-2.6;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM422509;MM422509;C=CCCC(C=C)C(C)O;GEMVIJSDOYHRGY-UHFFFAOYSA-N;140.23;2.14;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_C1";;;;;;;2.08;;0.48;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM422510;MM422510;C=CCC1=CC(C=O)OC1;MRDIVRUYEKRANN-UHFFFAOYSA-N;138.17;1.09;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC5_SP1";;;;;;;0.81;;-0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM422511;MM422511;CC1OC1(CN)CC1CO1;IIQQBXLIAZCUPV-UHFFFAOYSA-N;143.19;-0.11;;;;;DOPC;MDCG;27;1;"MARTINI bead: SP1_SNa";;;;;;;0.04;;-4.58;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM422512;MM422512;C=C(CF)C1CN(CC)C1;QMPMTORMYYCTJQ-UHFFFAOYSA-N;143.21;1.46;;;;;DOPC;MDCG;27;1;"MARTINI bead: SNd_SNa";;;;;;;0.87;;-3.2;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM422513;MM422513;C=c1cc2c(o1)=NOC2=O;LVOIWGWYPZYXJO-UHFFFAOYSA-N;137.09;-0.61;;;;;DOPC;MDCG;27;0;"MARTINI bead: SN0_SP1";;;;;;;0.34;;-1.53;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM422514;MM422514;CCC(OC)=C(F)CCO;RHHLWULVKHGGBB-UHFFFAOYSA-N;148.18;1.61;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4_P1";;;;;;;1.37;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM422515;MM422515;C#CC#CCC(C#N)=CF;FLVUFGRRSBQLIR-UHFFFAOYSA-N;133.13;1.39;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_C4";;;;;;;2.2;;0.34;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM422516;MM422516;C=CCC1=CC(C#N)OC1;AROHYQUJJYKJHU-UHFFFAOYSA-N;135.17;1.41;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC5_SNa";;;;;;;1.64;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM422517;MM422517;CCC1(CN2CC2)CC1N;UDZCRLDMKVXRIB-UHFFFAOYSA-N;140.23;0.43;;;;;DOPC;MDCG;27;1;"MARTINI bead: SNd_SP1";;;;;;;0.04;;-4.61;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM422518;MM422518;CNCC(C)=C(CO)OC;WVCWQKNMIWORCH-UHFFFAOYSA-N;145.2;0.12;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_P2";;;;;;;-0.24;;-5.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM422519;MM422519;CCN1CC(C(=N)NC)C1;VTOFAGXVVAOJCJ-UHFFFAOYSA-N;141.22;0.13;;;;;DOPC;MDCG;27;1;"MARTINI bead: SNd_SP2";;;;;;;-0.24;;-7.78;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM422520;MM422520;Cn1nc2nnc(F)c-2[nH]1;HCSIHZUITUMAGS-UHFFFAOYSA-N;141.11;-0.22;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP1_SNa";;;;;;;0.04;;-2.54;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM422521;MM422521;C#CC#CCC(C=C)=NN;TZPLYOJDKONZOG-UHFFFAOYSA-N;132.17;0.51;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nd_C4";;;;;;;2.2;;0.32;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM422522;MM422522;N#CCC1=CC(C=O)OC1;JXGXOJXPAVNRSE-UHFFFAOYSA-N;137.14;0.42;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP1_SN0";;;;;;;0.34;;-1.53;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM422523;MM422523;CNC1(CN2CC2)CC1C;VUSRLCBSIGYAJX-UHFFFAOYSA-N;140.23;0.3;;;;;DOPC;MDCG;27;1;"MARTINI bead: SNd_SP1";;;;;;;0.04;;-5.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM422524;MM422524;CCN1CC(C(=N)NN)C1;GMYAZSOPTASSBY-UHFFFAOYSA-N;142.21;-0.62;;;;;DOPC;MDCG;27;1;"MARTINI bead: SNd_SP3";;;;;;;-1.1;;-7.02;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM422525;MM422525;C=c1cc2c(o1)=CC=C2C;ZQHUZDUFDISUSS-UHFFFAOYSA-N;132.16;0.89;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC5_SC4";;;;;;;2.97;;0.45;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM422526;MM422526;CCOC(C)=C(CC)CN;BKOGYIITFLFUGR-UHFFFAOYSA-N;143.23;1.67;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1_C5";;;;;;;0.81;;-2.65;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM422527;MM422527;N#CCC1=CC(C#N)OC1;VNSGKHVNYUPNIV-UHFFFAOYSA-N;134.14;0.75;;;;;DOPC;MDCG;27;0;"MARTINI bead: SN0_SNa";;;;;;;1.17;;-1.18;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM422528;MM422528;C#CC#CCC(C=C)=NO;TYLAHPSWOMQGEP-UHFFFAOYSA-N;133.15;1.03;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda_N0";;;;;;;1.17;;-1.13;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM422529;MM422529;CC1NC1(CN)CN1CC1;ZBKGQTVRNIDQFO-UHFFFAOYSA-N;141.22;-1.01;;;;;DOPC;MDCG;27;1;"MARTINI bead: SP2_SP1";;;;;;;-1.06;;-5.47;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM422530;MM422530;CCN1CC(C(=N)NO)C1;APXVCVSYFOOEHP-UHFFFAOYSA-N;143.19;-0.11;;;;;DOPC;MDCG;27;1;"MARTINI bead: SNd_SP3";;;;;;;-1.1;;-5.89;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM422531;MM422531;CCOC(C)=C(CN)CN;GHJYMNULTVXLIV-UHFFFAOYSA-N;144.22;0.21;;;;;DOPC;MDCG;27;1;"MARTINI bead: C5_P3";;;;;;;-0.33;;-4.11;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM422532;MM422532;C=c1cc2c(o1)=CC=C2F;AACCPVMXKGEHMP-UHFFFAOYSA-N;136.13;0.79;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC5_SC4";;;;;;;2.97;;0.45;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM422533;MM422533;C=CC1C=C(NC=N)CO1;VYRFWDQEUBRUAX-UHFFFAOYSA-N;138.17;0.65;;;;;DOPC;MDCG;27;1;"MARTINI bead: SNa_SP1";;;;;;;0.04;;-5.6;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM422534;MM422534;C=COc1cc(O)[nH]n1;KTAPVQTZMGBVEP-UHFFFAOYSA-N;126.12;0.64;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP1_SNda";;;;;;;0.04;;-7.47;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM422535;MM422535;CCC1(CN2CC2)OC1C;UKUZVMPVTTZTFC-UHFFFAOYSA-N;141.21;0.87;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNa_SP1";;;;;;;0.04;;-2.54;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM422536;MM422536;C=C(OC)C1CN(CC)C1;RPKUUGQVLZTQMV-UHFFFAOYSA-N;141.21;1.1;;;;;DOPC;MDCG;27;1;"MARTINI bead: SNd_SNa";;;;;;;0.87;;-3.15;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM422537;MM422537;CCOC(C)=C(CN)OC;DOWZBYKRWVSIHE-UHFFFAOYSA-N;145.2;0.86;;;;;DOPC;MDCG;27;1;"MARTINI bead: C5_P2";;;;;;;0.54;;-2.45;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM422538;MM422538;C#CC(=CC)CC#CCC;OXIUTJNMBALMFH-UHFFFAOYSA-N;132.21;2.37;;;;;DOPC;MDCG;27;0;"MARTINI bead: C3_C4";;;;;;;3.9;;0.47;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM422539;MM422539;C=c1cc2c(o1)=NN=C2C;CQHMFXNGGQJNHI-UHFFFAOYSA-N;134.14;0.05;;;;;DOPC;MDCG;27;0;"MARTINI bead: SN0_SN0";;;;;;;1.47;;-0.05;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM422540;MM422540;N=CNC1=CC(C=O)OC1;BWSLEFCMBGXJKQ-UHFFFAOYSA-N;140.14;-0.34;;;;;DOPC;MDCG;27;1;"MARTINI bead: SP1_SP1";;;;;;;-0.79;;-6.18;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM422541;MM422541;CC1OC1(CN)CN1CC1;LGQWWXHVADMHSI-UHFFFAOYSA-N;142.2;-0.58;;;;;DOPC;MDCG;27;1;"MARTINI bead: SP1_SP1";;;;;;;-0.79;;-4.84;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM422542;MM422542;CNC(=N)N1CC(CN)C1;RAWTVTBTWCSZCZ-UHFFFAOYSA-N;142.21;-0.97;;;;;DOPC;MDCG;27;1;"MARTINI bead: SP1_SP2";;;;;;;-1.06;;-8.61;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM422543;MM422543;CCOC(C)=C(CO)OC;KDGXBQRLFUGHKG-UHFFFAOYSA-N;146.19;0.89;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_P2";;;;;;;0.54;;-1.09;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM422544;MM422544;C#CC(=CC)CC#CCN;KDEWHHTVDRLJJX-UHFFFAOYSA-N;133.19;0.92;;;;;DOPC;MDCG;27;1;"MARTINI bead: C4_Nd";;;;;;;2.2;;-0.92;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM422545;MM422545;C=c1occ2c1=CC(C)=C2;GYOSRNJRGJGOCD-UHFFFAOYSA-N;132.16;0.89;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC5_SC5";;;;;;;2.41;;0.64;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM422546;MM422546;N#CC1C=C(NC=N)CO1;NSTJDBCTKOBDTN-UHFFFAOYSA-N;137.14;-0.01;;;;;DOPC;MDCG;27;1;"MARTINI bead: SP1_SNa";;;;;;;0.04;;-5.51;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM422547;MM422547;CN1CC1(CN)CC1CC1;XLZZKDOBQXCOPH-UHFFFAOYSA-N;140.23;0.43;;;;;DOPC;MDCG;27;1;"MARTINI bead: SP2_SC5";;;;;;;0.54;;-3.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM422548;MM422548;C=CCC(C)=C(CN)CF;ZZFLDUPIAUOQDQ-UHFFFAOYSA-N;143.21;1.81;;;;;DOPC;MDCG;27;1;"MARTINI bead: C4_Nda";;;;;;;2.2;;-1.41;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM422549;MM422549;N=C(NN)N1CC(CO)C1;CUMMAWCMDBKOKL-UHFFFAOYSA-N;144.18;-1.69;;;;;DOPC;MDCG;27;1;"MARTINI bead: SP1_SP2";;;;;;;-1.06;;-8.1;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM422550;MM422550;C#CC(=CC)CC#CCO;ODCCGTPHQQMHGP-UHFFFAOYSA-N;134.18;0.95;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4_P2";;;;;;;1.09;;-0.38;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM422551;MM422551;C=COC1=CC(C=C)OC1;YNWXWFAOFBTDEW-UHFFFAOYSA-N;138.17;1.62;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNa_SNa";;;;;;;0.87;;-2.22;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM422552;MM422552;C=c1occ2c1=CC(F)=C2;YPWQWKJHBWDLJX-UHFFFAOYSA-N;136.13;0.79;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC5_SC5";;;;;;;2.41;;0.64;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM422553;MM422553;CN1CC1(CN)CC1CN1;BHRHSAICFFFNDA-UHFFFAOYSA-N;141.22;-1.01;;;;;DOPC;MDCG;27;1;"MARTINI bead: SP2_SP1";;;;;;;-1.06;;-5.81;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM422554;MM422554;CCC1CN(C(=N)OC)C1;RZPIRWYKUCZRHW-UHFFFAOYSA-N;142.2;0.91;;;;;DOPC;MDCG;27;1;"MARTINI bead: SN0_SP1";;;;;;;0.34;;-2.92;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM422555;MM422555;C=CCC(F)=C(CC)CN;DOIMSDGBPUWWHE-UHFFFAOYSA-N;143.21;2.15;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nda_C4";;;;;;;2.2;;-1.41;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM422556;MM422556;C#CC(=CC)CC#CCF;XDHPWZHXLXPSIC-UHFFFAOYSA-N;136.17;1.93;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4_Na";;;;;;;2.2;;0.34;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM422557;MM422557;C=COC1=CC(C=O)OC1;KNAPQEZHVDARSG-UHFFFAOYSA-N;140.14;0.63;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNa_SP1";;;;;;;0.04;;-2.54;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM422558;MM422558;N=c1ncc2cc(=O)cc1-2;MAZBBJOXQQWQEE-UHFFFAOYSA-N;132.12;-0.1;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNa_SP1";;;;;;;0.04;;-2.54;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM422559;MM422559;C=CC1(CC2CC2)CC1C;IURQJWDBXOPUPX-UHFFFAOYSA-N;136.24;3;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC4_SC5";;;;;;;2.97;;0.45;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM422560;MM422560;CNC1CN(C(=N)NN)C1;PGSGBHNOXYROSF-UHFFFAOYSA-N;143.19;-1.71;;;;;DOPC;MDCG;27;1;"MARTINI bead: SP2_SP1";;;;;;;-1.06;;-7.94;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM422561;MM422561;C=CCC(F)=C(CN)CN;POUQVTSKLDHYLX-UHFFFAOYSA-N;144.19;0.7;;;;;DOPC;MDCG;27;1;"MARTINI bead: P2_Nda";;;;;;;-0.24;;-5.42;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM422562;MM422562;C#CC(=CF)CC#CCC;KJEHPGLNLRCBBN-UHFFFAOYSA-N;136.17;2.28;;;;;DOPC;MDCG;27;0;"MARTINI bead: C3_C5";;;;;;;3.34;;0.48;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM422563;MM422563;C=CC1(NC2CC2)CC1C;LGYJKJWUDDKNMY-UHFFFAOYSA-N;137.23;1.7;;;;;DOPC;MDCG;27;1;"MARTINI bead: SC4_SP1";;;;;;;1.37;;-1.93;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM422564;MM422564;C=COC1=CC(C#N)OC1;MLYZXIBKPPCAPW-UHFFFAOYSA-N;137.14;0.95;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNa_SNa";;;;;;;0.87;;-2.22;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM422565;MM422565;O=c1cc2cnc(=O)c-2c1;FOIZSBLQTWCMGI-UHFFFAOYSA-N;133.11;-0.22;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNa_SNa";;;;;;;0.87;;-2.22;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM422566;MM422566;CNC(=N)N1CC(OC)C1;JOLRJOWUCYXXGD-UHFFFAOYSA-N;143.19;-0.53;;;;;DOPC;MDCG;27;1;"MARTINI bead: SP1_SP2";;;;;;;-1.06;;-8.25;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM422567;MM422567;C=CCC(F)=C(CN)CF;NIIHORQTURDTML-UHFFFAOYSA-N;147.17;1.71;;;;;DOPC;MDCG;27;1;"MARTINI bead: Na_Nda";;;;;;;0.87;;-4.07;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM422568;MM422568;C#CC(=CF)CC#CCN;RAEFVGNSYIOJQI-UHFFFAOYSA-N;137.16;0.83;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_C5";;;;;;;1.64;;-1.39;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM422569;MM422569;C=CCC1=CC(C#N)CO1;BAANKAYJUMEAKY-UHFFFAOYSA-N;135.17;1.62;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC5_SN0";;;;;;;1.94;;0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM422570;MM422570;C=CC1(OC2CC2)CC1C;ZNAIJKPEOYKHSL-UHFFFAOYSA-N;138.21;2.13;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC4_SP1";;;;;;;1.37;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM422571;MM422571;N=c1cc2c(=N)ncc-2n1;ZUHCKLOLLKNPEE-UHFFFAOYSA-N;132.13;-0.58;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNda_SP1";;;;;;;0.04;;-2.73;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM422572;MM422572;CCC(OC)=C(F)CC#N;FTJRBIQLNGBGHU-UHFFFAOYSA-N;143.16;2.14;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4_P1";;;;;;;1.37;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM422573;MM422573;C=CC(=C)C1CC(CC)C1;CDZDTDGSVCJLEG-UHFFFAOYSA-N;136.24;3.16;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC2_SC2";;;;;;;4.78;;0.59;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM422574;MM422574;C=CC1(CC2CO2)CC1N;KHQFLQKYYNUFNV-UHFFFAOYSA-N;139.2;0.68;;;;;DOPC;MDCG;27;1;"MARTINI bead: SNd_SNa";;;;;;;0.87;;-4.15;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM422575;MM422575;C#CC(=CF)CC#CCO;SETPOFRZGGNCTL-UHFFFAOYSA-N;138.14;0.86;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda_C5";;;;;;;1.64;;0.05;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM422576;MM422576;N#CCC1=CC(C#N)CO1;CXUGPCCTFRCPEA-UHFFFAOYSA-N;134.14;0.95;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNa_SN0";;;;;;;1.17;;-1.18;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM422577;MM422577;N=c1ncc2nc(=O)cc1-2;SAECMQIVZBEIBT-UHFFFAOYSA-N;133.11;-0.7;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNa_SP2";;;;;;;-0.24;;-3.24;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM422578;MM422578;CC(NC=N)=C(CN)CN;DSOGSHFOKZYBTO-UHFFFAOYSA-N;142.21;-0.63;;;;;DOPC;MDCG;27;1;"MARTINI bead: P3_P2";;;;;;;-2.2;;-8.49;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM422579;MM422579;C=C(C=O)C1CC(CC)C1;QZMYNCVLRPMFDM-UHFFFAOYSA-N;138.21;2.18;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC2_SC5";;;;;;;3.6;;0.34;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM422580;MM422580;C#CC(=CF)CC#CCF;ZBPCZSZGKUYHPG-UHFFFAOYSA-N;140.13;1.84;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_C5";;;;;;;1.64;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM422581;MM422581;CC1CC1(C#N)CN1CC1;FWFTXPRUSRRNOV-UHFFFAOYSA-N;136.2;0.85;;;;;DOPC;MDCG;27;0;"MARTINI bead: SN0_SP1";;;;;;;0.34;;-1.53;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM422582;MM422582;C=CN=C1CCC(C=C)N1;SOGUWJQFHWNTFQ-UHFFFAOYSA-N;136.2;1.47;;;;;DOPC;MDCG;27;1;"MARTINI bead: SNd_SN0";;;;;;;1.17;;-4.48;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM422583;MM422583;N=c1cc2c(=O)ncc-2n1;LAAWTDGYACRLJL-UHFFFAOYSA-N;133.11;-0.7;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNda_SP1";;;;;;;0.04;;-2.73;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM422584;MM422584;CC(NC=O)=C(CO)CO;LBXDWTHZHLKKIO-UHFFFAOYSA-N;145.16;-1.01;;;;;DOPC;MDCG;27;0;"MARTINI bead: P3_Nda";;;;;;;-1.1;;-3.97;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM422585;MM422585;C#CC(CC#CCC)=NN;IXZFXBKMQVJFEZ-UHFFFAOYSA-N;134.18;0.74;;;;;DOPC;MDCG;27;0;"MARTINI bead: C3_P1";;;;;;;1.74;;0.29;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM422586;MM422586;C=C(C#N)C1CC(CC)C1;QSXXROULMFAVNZ-UHFFFAOYSA-N;135.21;2.5;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC2_SC5";;;;;;;3.6;;0.34;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM422587;MM422587;C=CN=C1CCC(C=O)N1;ORZQJZDZOMPNRN-UHFFFAOYSA-N;138.17;0.48;;;;;DOPC;MDCG;27;1;"MARTINI bead: SNd_SP1";;;;;;;0.04;;-5.18;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM422588;MM422588;C#CC1(CC2CC2)CC1C;GYZOXSTYIAUINS-UHFFFAOYSA-N;134.22;2.45;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC5_SC5";;;;;;;2.41;;0.64;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM422589;MM422589;O=c1cc2c(=O)ncc-2n1;QZDYTMCOFOTPRR-UHFFFAOYSA-N;134.09;-0.82;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP2_SP1";;;;;;;-1.06;;-3.82;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM422590;MM422590;C=CC(=C)C1CC(CN)C1;JXEPKLGUAZBMLD-UHFFFAOYSA-N;137.23;1.71;;;;;DOPC;MDCG;27;1;"MARTINI bead: SNd_SC2";;;;;;;2.83;;-0.76;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM422591;MM422591;CC(NC=O)=C(CF)CF;YGGMOJIGMKJLJP-UHFFFAOYSA-N;149.14;0.95;;;;;DOPC;MDCG;27;0;"MARTINI bead: P3_C4";;;;;;;0.23;;-1.03;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM422592;MM422592;C#CC(CC#CCF)=NN;FCVFECJFUIYEGS-UHFFFAOYSA-N;138.15;0.3;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nd_Na";;;;;;;0.87;;-1.88;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM422593;MM422593;C=CN=C1CCC(C#N)N1;SAOUOESDGYZPNJ-UHFFFAOYSA-N;135.17;0.8;;;;;DOPC;MDCG;27;1;"MARTINI bead: SNd_SP1";;;;;;;0.04;;-4.32;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM422594;MM422594;N=c1cc2cnc(=N)c-2n1;MHKWRGWDUXDERI-UHFFFAOYSA-N;132.13;-0.58;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNd_SP1";;;;;;;0.04;;-2.63;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM422595;MM422595;C#CC1(CC2CC2)CC1N;QKNFVMVUDPAYDP-UHFFFAOYSA-N;135.21;1.14;;;;;DOPC;MDCG;27;1;"MARTINI bead: SP1_SC5";;;;;;;0.81;;-2.78;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM422596;MM422596;C=NNC=NOC(C)OC;OMUQUKPCXDUPQR-UHFFFAOYSA-N;145.16;0.14;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_P1";;;;;;;0.04;;-2.54;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM422597;MM422597;CCC(OC)=C(C)NC=N;HPAUTZPHPZRCAQ-UHFFFAOYSA-N;142.2;1.47;;;;;DOPC;MDCG;27;1;"MARTINI bead: C1_P3";;;;;;;0.94;;-2.3;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM422598;MM422598;C=CNC1=NC(C=C)CN1;IXZRVPQRAWYZQN-UHFFFAOYSA-N;137.19;0.23;;;;;DOPC;MDCG;27;1;"MARTINI bead: SP1_SP1";;;;;;;-0.79;;-7.09;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM422599;MM422599;C#CC(CC#CCC)=NO;ZPQVOSPPDFCYRQ-UHFFFAOYSA-N;135.17;1.25;;;;;DOPC;MDCG;27;0;"MARTINI bead: C3_P1";;;;;;;1.74;;0.3;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM422600;MM422600;N=c1ncc2cc(=O)nc1-2;RYIQTMDLWJABDY-UHFFFAOYSA-N;133.11;-0.7;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNa_SP2";;;;;;;-0.24;;-3.24;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM422601;MM422601;C#CC1(NC2CC2)CC1N;PQEQHSDEEGIXJR-UHFFFAOYSA-N;136.2;-0.16;;;;;DOPC;MDCG;27;1;"MARTINI bead: SP2_SC5";;;;;;;0.54;;-2.58;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM422602;MM422602;CC=NNC(=CC#N)CC;YIOZHSMRLRVANB-UHFFFAOYSA-N;137.19;1.4;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_Nd";;;;;;;1.64;;0.02;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM422603;MM422603;CCC(OC)=C(C)NC=O;QEQRQNKYGKTYHH-UHFFFAOYSA-N;143.19;1.02;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1_P3";;;;;;;0.94;;0.03;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM422604;MM422604;C=CNC1=NC(C=O)CN1;UMKZANPPTMXDKW-UHFFFAOYSA-N;139.16;-0.75;;;;;DOPC;MDCG;27;1;"MARTINI bead: SP1_SP2";;;;;;;-1.06;;-7.14;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM422605;MM422605;C#CC(CC#CCO)=NO;WNKSAXKOMDKBTO-UHFFFAOYSA-N;137.14;-0.16;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda_P1";;;;;;;0.04;;-2.73;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM422606;MM422606;N=c1cc2cnc(=O)c-2n1;IHIKWMPQKWUYPJ-UHFFFAOYSA-N;133.11;-0.7;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNd_SP1";;;;;;;0.04;;-2.63;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM422607;MM422607;C=NN(C)C(=NC)C(C)=O;XXRXEANSANLOEQ-UHFFFAOYSA-N;141.17;0.15;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_Na";;;;;;;0.04;;-2.54;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM422608;MM422608;COC(CF)=C(C)NC=N;SAKNSFGINKPIQC-UHFFFAOYSA-N;146.17;1.03;;;;;DOPC;MDCG;27;1;"MARTINI bead: C4_P3";;;;;;;0.23;;-3.27;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM422609;MM422609;C#CC1(OC2CC2)CC1N;RETZNPDDYWHEIR-UHFFFAOYSA-N;137.18;0.27;;;;;DOPC;MDCG;27;1;"MARTINI bead: SP2_SC5";;;;;;;0.54;;-2.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM422610;MM422610;C=CC(C=C)C(=NN)OC;VSSNDGMSVIZEFY-UHFFFAOYSA-N;140.19;0.89;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_C2";;;;;;;2;;0.29;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM422611;MM422611;C#CC(=CC)CC#CC=C;IACMGQVCPCKFOC-UHFFFAOYSA-N;130.19;2.15;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4_C4";;;;;;;3.53;;0.53;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM422612;MM422612;O=c1cc2cnc(=O)c-2n1;HGFDOSGOSUPROH-UHFFFAOYSA-N;134.09;-0.82;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP2_SP1";;;;;;;-1.06;;-3.82;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM422613;MM422613;C#CC1(CC2CN2)CC1N;OQZHPBQFCOLTCU-UHFFFAOYSA-N;136.2;-0.3;;;;;DOPC;MDCG;27;1;"MARTINI bead: SP1_SP1";;;;;;;-0.79;;-5.43;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM422614;MM422614;C=CC(=C)C1CC(CF)C1;SUPTZPAGBADANZ-UHFFFAOYSA-N;140.2;2.72;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC5_SC2";;;;;;;3.6;;0.34;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM422615;MM422615;C=COC(C)=C(CC)CC;ODHUNAOSCDMZKC-UHFFFAOYSA-N;140.23;3.24;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1_P1";;;;;;;2.08;;0.48;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM422616;MM422616;C#CC(=CC)CC#CC=O;OSNUYGVUICHDJV-UHFFFAOYSA-N;132.16;1.16;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4_P1";;;;;;;1.37;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM422617;MM422617;C=CCC1=CN(C=N)CC1;BQHOYGJDWAVYOT-UHFFFAOYSA-N;136.2;1.76;;;;;DOPC;MDCG;27;1;"MARTINI bead: SN0_SP1";;;;;;;0.34;;-5.01;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM422618;MM422618;N=c1nc2cnc(=N)c-2n1;DTUJKNCBTFJFEB-UHFFFAOYSA-N;133.11;-1.19;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP2_SP2";;;;;;;-1.34;;-4.31;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM422619;MM422619;CCC(CF)=C(C)OC=O;HNGBLOPBYIFMKK-UHFFFAOYSA-N;146.16;1.81;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1_P1";;;;;;;2.08;;0.48;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM422620;MM422620;C=C(C=O)C1CC(CF)C1;QVBBZFRCSBRWPY-UHFFFAOYSA-N;142.17;1.74;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC5_SC5";;;;;;;2.41;;0.64;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM422621;MM422621;C#CC1(CC2CO2)CC1C;PCZQEVIJNATAHN-UHFFFAOYSA-N;136.19;1.43;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC5_SNa";;;;;;;1.64;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM422622;MM422622;C#CC(=CC)CC#CC#N;MNDXOLZJLPXKFE-UHFFFAOYSA-N;129.16;1.48;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4_N0";;;;;;;2.5;;0.44;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM422623;MM422623;N=CN1C=C(CC=O)CC1;JPJYCABNKSFAER-UHFFFAOYSA-N;138.17;0.77;;;;;DOPC;MDCG;27;1;"MARTINI bead: SP1_SP1";;;;;;;-0.79;;-6.59;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM422624;MM422624;N=c1ncc2nc(=O)nc1-2;RERGTJZSQPAVRB-UHFFFAOYSA-N;134.1;-1.31;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNa_SP3";;;;;;;-1.1;;-4.2;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM422625;MM422625;C=COC(C)=C(CN)CO;CJAOGJAJQRUDOC-UHFFFAOYSA-N;143.19;0.37;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1_P1";;;;;;;-0.79;;-4.93;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM422626;MM422626;C#CC1(CC2CO2)CC1N;HLPDHTXZKDHICH-UHFFFAOYSA-N;137.18;0.13;;;;;DOPC;MDCG;27;1;"MARTINI bead: SP1_SNa";;;;;;;0.04;;-4.82;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM422627;MM422627;C=C(C#N)C1CC(CF)C1;KYCRPHIQDSQEEZ-UHFFFAOYSA-N;139.17;2.06;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC5_SC5";;;;;;;2.41;;0.64;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM422628;MM422628;C#CC(=CF)CC#CC=C;UPTKDLGMTUKEEU-UHFFFAOYSA-N;134.15;2.05;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_C4";;;;;;;2.97;;0.45;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM422629;MM422629;N#CCC1=CN(C=N)CC1;JFABYHYOSJZAOH-UHFFFAOYSA-N;135.17;1.1;;;;;DOPC;MDCG;27;1;"MARTINI bead: SP1_SN0";;;;;;;0.34;;-4.92;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM422630;MM422630;N=c1nc2cnc(=O)c-2n1;ZPEGPJQMBRXJRC-UHFFFAOYSA-N;134.1;-1.31;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP2_SP2";;;;;;;-1.34;;-4.31;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM422631;MM422631;CC(OC=O)=C(CN)CO;VXRRXNVUHDTVJK-UHFFFAOYSA-N;145.16;-0.62;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1_P1";;;;;;;-0.79;;-4.93;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM422632;MM422632;C#CC1(CN2CC2)CC1N;UZBIANHSTSFVFD-UHFFFAOYSA-N;136.2;-0.35;;;;;DOPC;MDCG;27;1;"MARTINI bead: SP1_SP1";;;;;;;-0.79;;-5.09;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM422633;MM422633;CCC1CC(C(=O)C#N)C1;BUUYAFMGIISPER-UHFFFAOYSA-N;137.18;1.52;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC2_SNa";;;;;;;2.83;;0.35;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM422634;MM422634;C#CC(=CF)CC#CC=O;VPJCVIDXVHSOSU-UHFFFAOYSA-N;136.13;1.07;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_P1";;;;;;;0.81;;-0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM422635;MM422635;C=CCC1=CN(C=O)CC1;AXXKLHHEWJYIJN-UHFFFAOYSA-N;137.18;1.31;;;;;DOPC;MDCG;27;0;"MARTINI bead: SN0_SP1";;;;;;;0.34;;-1.53;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM422636;MM422636;O=c1nc2cnc(=O)c-2n1;NEZINAMSLFWTQN-UHFFFAOYSA-N;135.08;-1.43;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP3_SP2";;;;;;;-2.2;;-5.19;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM422637;MM422637;C#CC1(CC2CC2)CN1C;KTAOJZUPUDZCJI-UHFFFAOYSA-N;135.21;1.1;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNd_SC5";;;;;;;1.64;;0.03;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM422638;MM422638;C=COC(C)=C(CN)OC;OQMXIFWEQXGOPH-UHFFFAOYSA-N;143.19;0.98;;;;;DOPC;MDCG;27;1;"MARTINI bead: P2_C5";;;;;;;0.54;;-2.45;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM422639;MM422639;CC=NOC(=NN)C(F)F;QMXJUXBGZGNWOC-UHFFFAOYSA-N;151.12;0.55;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda_N0";;;;;;;1.17;;-1.13;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM422640;MM422640;C#CC(=CF)CC#CC#N;WMWFZLXPBFUMGR-UHFFFAOYSA-N;133.13;1.39;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_N0";;;;;;;1.94;;0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM422641;MM422641;O=CCC1=CN(C=O)CC1;GVFSJLCCZJCSSX-UHFFFAOYSA-N;139.15;0.32;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP1_SP1";;;;;;;-0.79;;-3.13;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM422642;MM422642;Cn1nc2ncc(N)c-2[nH]1;QRGWWVXDQJFQCM-UHFFFAOYSA-N;137.15;-0.17;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP1_SP1";;;;;;;-0.79;;-3.13;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM422643;MM422643;CC(C)C1(CC2CC2)CC1;LBAQYFKAXHYAEF-UHFFFAOYSA-N;138.25;3.22;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC4_SC5";;;;;;;2.97;;0.45;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM422644;MM422644;C=COC(C)=C(CO)OC;GYAJCCXTUXZAFY-UHFFFAOYSA-N;144.17;1.02;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda_P1";;;;;;;0.04;;-2.73;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM422645;MM422645;C=CC(=C)C1CC(NC)C1;XRXKGDOPOFWHIN-UHFFFAOYSA-N;137.23;1.73;;;;;DOPC;MDCG;27;1;"MARTINI bead: SNd_SC2";;;;;;;2.83;;-0.91;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM422646;MM422646;C#CC(CC#CC=C)=NN;BHYCOFCRTWZDFX-UHFFFAOYSA-N;132.17;0.51;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_C4";;;;;;;1.37;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM422647;MM422647;N#CCC1=CN(C=O)CC1;AQGRJDUDGIRESV-UHFFFAOYSA-N;136.15;0.65;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP1_SN0";;;;;;;0.34;;-1.53;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM422648;MM422648;Cn1nc2ncc(F)c-2[nH]1;YFTQHNHPHUKARA-UHFFFAOYSA-N;140.12;0.39;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP1_SNa";;;;;;;0.04;;-2.54;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM422649;MM422649;CC(C)C1(NC2CC2)CC1;DWEOCONPQXTMGP-UHFFFAOYSA-N;139.24;1.93;;;;;DOPC;MDCG;27;1;"MARTINI bead: SC4_SP1";;;;;;;1.37;;-2.73;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM422650;MM422650;C#CCC(C)=C(CN)CF;YIRIFZAUFUXZCU-UHFFFAOYSA-N;141.19;1.25;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_Na";;;;;;;0.87;;-4.04;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM422651;MM422651;C=C(C#N)C1CC(NC)C1;FNIFVMMUNXQUKW-UHFFFAOYSA-N;136.2;1.06;;;;;DOPC;MDCG;27;1;"MARTINI bead: SNd_SC5";;;;;;;1.64;;-2.86;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM422652;MM422652;N=CNC1=CN(C=N)CC1;CSCBNRBAPXPEBM-UHFFFAOYSA-N;138.17;0.34;;;;;DOPC;MDCG;27;1;"MARTINI bead: SP2_SP1";;;;;;;-1.06;;-7.33;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM422653;MM422653;C#CC(CC#CC=C)=NO;KHCCQXAGCDKJMA-UHFFFAOYSA-N;133.15;1.03;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_C4";;;;;;;1.37;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM422654;MM422654;CC(C)C1(CC2CO2)CC1;NXLZRMNAGKNMLL-UHFFFAOYSA-N;140.23;2.21;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC4_SNa";;;;;;;2.2;;0.34;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM422655;MM422655;Cc1cc2[nH]oc(C)c-2n1;HFZJAPRODOPJDE-UHFFFAOYSA-N;136.15;1.72;;;;;DOPC;MDCG;27;0;"MARTINI bead: SN0_SNda";;;;;;;1.17;;-1.13;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM422656;MM422656;C#CCC(C)=C(CO)OC;PYBZIAOTCRSFPR-UHFFFAOYSA-N;140.18;0.92;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda_N0";;;;;;;1.17;;-1.13;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM422657;MM422657;C=CC(=C)C1CC(OC)C1;ODBUFRAEAARBHU-UHFFFAOYSA-N;138.21;2.15;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNa_SC2";;;;;;;2.83;;0.35;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM422658;MM422658;N=CNC1=CN(C=O)CC1;BPOONKJRVUSYEY-UHFFFAOYSA-N;139.16;-0.11;;;;;DOPC;MDCG;27;1;"MARTINI bead: SP2_SP1";;;;;;;-1.06;;-7.12;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM422659;MM422659;C#CC#CCC(C#C)=CC;JAERHVHXCDMZEB-UHFFFAOYSA-N;128.17;1.59;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4_C4";;;;;;;3.53;;0.53;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM422660;MM422660;N#CCNC(N)=CC(=O)O;AJTAWZRFARQQBH-UHFFFAOYSA-N;141.13;-1.02;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_P1";;;;;;;-0.79;;-9.01;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM422661;MM422661;C=C(C)C1(CC2CC2)CC1;IGAPYZJGKVRTCZ-UHFFFAOYSA-N;136.24;3.14;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC4_SC5";;;;;;;2.97;;0.45;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM422662;MM422662;C#CCC(F)=C(CN)OC;IPEFJABSYRFFGI-UHFFFAOYSA-N;143.16;0.8;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1_N0";;;;;;;0.34;;-2.88;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM422663;MM422663;C=COC1=CN(C=N)CC1;NOQPKFQSHUBLGE-UHFFFAOYSA-N;138.17;1.3;;;;;DOPC;MDCG;27;1;"MARTINI bead: SNa_SP1";;;;;;;0.04;;-4.74;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM422664;MM422664;C=C(C#N)C1CC(OC)C1;HOVDRJBVAXMQSS-UHFFFAOYSA-N;137.18;1.49;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNa_SC5";;;;;;;1.64;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM422665;MM422665;C=Nn1[nH]nc(C#N)c1=O;BSOSEBCHRHBMTO-UHFFFAOYSA-N;137.1;-1.09;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP2_SP1";;;;;;;-1.06;;-9.08;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM422666;MM422666;C#CC#CCC(C#C)=CF;MSRCWEDFNOXDCV-UHFFFAOYSA-N;132.14;1.5;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_C4";;;;;;;2.97;;0.45;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM422667;MM422667;C=C(C)C1(NC2CC2)CC1;VXAWRLCEKOGRBL-UHFFFAOYSA-N;137.23;1.85;;;;;DOPC;MDCG;27;1;"MARTINI bead: SC4_SP1";;;;;;;1.37;;-1.93;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM422668;MM422668;C=CC(CC)=C(C)CCC;LUZISLUFQZWMAU-UHFFFAOYSA-N;138.25;3.7;;;;;DOPC;MDCG;27;0;"MARTINI bead: C3_C1";;;;;;;4.61;;0.31;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM422669;MM422669;CNC(C#N)C#CC(=O)O;ABVCTYJDJBFRLG-UHFFFAOYSA-N;138.13;-0.81;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_P1";;;;;;;-1.06;;-9.08;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM422670;MM422670;C=CC(=C)C1CC(CC)O1;ZGXHONYZGPOOIS-UHFFFAOYSA-N;138.21;2.3;;;;;DOPC;MDCG;27;0;"MARTINI bead: SN0_SC5";;;;;;;1.94;;0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM422671;MM422671;C=COC1=CN(C=O)CC1;QKCLVBNOPMUVQZ-UHFFFAOYSA-N;139.15;0.85;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNa_SP1";;;;;;;0.04;;-2.54;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM422672;MM422672;C#CC#CCC(C#C)=NN;RLKHBDDNDALFDW-UHFFFAOYSA-N;130.15;-0.04;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_C4";;;;;;;1.37;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM422673;MM422673;C=C(C)C1(CC2CO2)CC1;GGHUXFWLNIPDNK-UHFFFAOYSA-N;138.21;2.13;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC4_SNa";;;;;;;2.2;;0.34;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM422674;MM422674;CNc1[nH]cc(N)c1C;CSOQZUIUVVJHLA-UHFFFAOYSA-N;125.18;0.95;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNd_SNd";;;;;;;0.87;;-2.11;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM422675;MM422675;C=c1cc2c(o1)=C(C)OC2;CGUNLCGWYYNSRO-UHFFFAOYSA-N;136.15;0.35;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNa_SN0";;;;;;;1.17;;-1.18;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM422676;MM422676;C=CC(=C)C1CN(CC)C1;UURHUTSKGIBMDN-UHFFFAOYSA-N;137.23;1.68;;;;;DOPC;MDCG;27;1;"MARTINI bead: SNd_SN0";;;;;;;1.17;;-2.8;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM422677;MM422677;C=CCC1=CN(C=N)NC1;SERQPMUYBGCLBV-UHFFFAOYSA-N;137.19;0.87;;;;;DOPC;MDCG;27;1;"MARTINI bead: SP2_SP3";;;;;;;-2.2;;-7.43;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM422678;MM422678;CCCC=CC(CC)CC;CSGQVOZQZMMCHL-UHFFFAOYSA-N;140.27;3.78;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1_C1";;;;;;;4.95;;0.69;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM422679;MM422679;CC1C2C(N)CC1(C)C2C;KNMLMCSERGUOSA-UHFFFAOYSA-N;139.24;1.63;;;;;DOPC;MDCG;27;1;"MARTINI bead: SNd_SC2";;;;;;;2.83;;-0.98;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM422680;MM422680;CCCC(N)=C(C=O)CC;OISMNQQSPUAJNH-UHFFFAOYSA-N;141.21;1.61;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nd_C5";;;;;;;1.64;;0.02;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM422681;MM422681;N#CCC1=CN(C=N)NC1;LJRKNUXUSSBMOZ-UHFFFAOYSA-N;136.16;0.21;;;;;DOPC;MDCG;27;1;"MARTINI bead: SP3_SP2";;;;;;;-2.2;;-7.35;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM422682;MM422682;Cn1oc(=NN)c(=O)n1C;NQAOYSCKTNZBND-UHFFFAOYSA-N;144.13;-1.91;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP1_SP2";;;;;;;-1.06;;-3.82;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM422683;MM422683;C=c1cc2c(o1)=C(C)CO2;SQEBQGJUWZDOKR-UHFFFAOYSA-N;136.15;0.25;;;;;DOPC;MDCG;27;0;"MARTINI bead: SN0_SNa";;;;;;;1.17;;-1.18;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM422684;MM422684;CC(=N)N(C)C(=O)C=NN;OAXBHHMFKUOJGH-UHFFFAOYSA-N;142.16;-0.61;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nd_P3";;;;;;;-1.1;;-3.93;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM422685;MM422685;CCC(C=CCCN)CC;IGYQQSVEKAZBNQ-UHFFFAOYSA-N;141.26;2.33;;;;;DOPC;MDCG;27;1;"MARTINI bead: C1_Nd";;;;;;;2.91;;-0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM422686;MM422686;CCCC(N)=C(C=O)CO;UBGIBUWXGISZQL-UHFFFAOYSA-N;143.19;0.19;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nd_P2";;;;;;;-0.24;;-3.16;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM422687;MM422687;C=CCC1=CN(C=O)NC1;FQDSMKPSSMRBNH-UHFFFAOYSA-N;138.17;0.42;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP2_SP2";;;;;;;-1.34;;-4.31;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM422688;MM422688;C#CC(=C)C1CC(CN)C1;CAAVDNAMIJSGPL-UHFFFAOYSA-N;135.21;1.16;;;;;DOPC;MDCG;27;1;"MARTINI bead: SNd_SC4";;;;;;;2.2;;-2.23;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM422689;MM422689;C=c1cc2c(o1)=C(F)CO2;MJSAMEINGANAGD-UHFFFAOYSA-N;140.11;0.16;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNa_SNa";;;;;;;0.87;;-2.22;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM422690;MM422690;CCCC=CC(CC)CN;JHYDFDDDWKLTAY-UHFFFAOYSA-N;141.26;2.33;;;;;DOPC;MDCG;27;1;"MARTINI bead: C1_C5";;;;;;;3.68;;0.56;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM422691;MM422691;CCOC(C=NN)=NOC;KXKSYBZQCJTITB-UHFFFAOYSA-N;145.16;-0.07;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_P2";;;;;;;0.54;;-1.09;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM422692;MM422692;C=NNCC(C#N)=CC;IGGPFVCTYZSTJT-UHFFFAOYSA-N;123.16;0.66;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_P1";;;;;;;0.81;;-0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM422693;MM422693;N#CCC1=CN(C=O)NC1;VBGDVMBLBXEKRK-UHFFFAOYSA-N;137.14;-0.24;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP2_SP2";;;;;;;-1.34;;-4.31;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM422694;MM422694;CCC(C=CCCN)CN;QBOXPTUKRNNJOX-UHFFFAOYSA-N;142.25;0.88;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_Nd";;;;;;;0.87;;-5.18;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM422695;MM422695;C=c1cc2c(o1)=C(C)C=C2;MZXXGKOZRISGMN-UHFFFAOYSA-N;132.16;0.89;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC5_SC4";;;;;;;2.97;;0.45;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM422696;MM422696;Cn1ncc(=O)c(=NN)o1;ZXZONTPSKRDCPW-UHFFFAOYSA-N;142.12;-1.85;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP2_SP2";;;;;;;-1.34;;-4.31;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM422697;MM422697;C=C1C(CC)C2CC1(N)C2;TZHCBAKCJQGPOU-UHFFFAOYSA-N;137.23;1.69;;;;;DOPC;MDCG;27;1;"MARTINI bead: SC1_SNd";;;;;;;2.91;;-0.34;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM422698;MM422698;NN=c1occ(CF)o1;GZEQEZARYCVBAG-UHFFFAOYSA-N;132.09;0.12;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP2_Na";;;;;;;-0.24;;-3.24;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM422699;MM422699;N=CNC1=CN(C=N)NC1;XBVVAMNWWSNGBU-UHFFFAOYSA-N;139.16;-0.55;;;;;DOPC;MDCG;27;1;"MARTINI bead: SP5_SP3";;;;;;;-3.08;;-10.03;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM422700;MM422700;CCC(C=CCCF)CN;CWJOVBXWRHEEMG-UHFFFAOYSA-N;145.22;1.89;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_C5";;;;;;;1.64;;-2.67;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM422701;MM422701;C#CC(=C)C1CC(CF)C1;XRRPLSADPXSQPK-UHFFFAOYSA-N;138.19;2.17;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC5_SC4";;;;;;;2.97;;0.45;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM422702;MM422702;C=c1cc2c(o1)=C(F)C=C2;XNUJUVBUPZWFKX-UHFFFAOYSA-N;136.13;0.79;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC5_SC4";;;;;;;2.97;;0.45;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM422703;MM422703;C=CC1C(=C)C2(N)CC1C2;UBNOTFSTFKVNRR-UHFFFAOYSA-N;135.21;1.47;;;;;DOPC;MDCG;27;1;"MARTINI bead: SNd_SC2";;;;;;;2.83;;-0.51;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM422704;MM422704;C=CC(CC)=C(F)CCN;CJIBQEDZUSOPHH-UHFFFAOYSA-N;143.21;2.15;;;;;DOPC;MDCG;27;1;"MARTINI bead: C1_P1";;;;;;;2.08;;-1.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM422705;MM422705;N=CNC1=CN(C=O)NC1;HCOHNKSIKZMDET-UHFFFAOYSA-N;140.15;-1;;;;;DOPC;MDCG;27;1;"MARTINI bead: SP5_SP2";;;;;;;-2.22;;-9.01;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM422706;MM422706;C#CC(=O)C1CC(CF)C1;NUBAEBBTBUJBLS-UHFFFAOYSA-N;140.16;1.18;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC5_SNa";;;;;;;1.64;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM422707;MM422707;C=CC(C=NNC)C(C)=O;XUSVFAXOQRTINW-UHFFFAOYSA-N;140.19;0.58;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nd_Na";;;;;;;0.87;;-1.88;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM422708;MM422708;Cc1o[nH]c2nc(O)cc1-2;IIXJLICIDPQDAQ-UHFFFAOYSA-N;138.13;1.12;;;;;DOPC;MDCG;27;0;"MARTINI bead: SN0_SNda";;;;;;;1.17;;-1.13;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM422709;MM422709;C=COC(C=NN)=NN=C;CIVIUDYKSJHJGM-UHFFFAOYSA-N;140.15;0.11;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_C5";;;;;;;0.81;;-0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM422710;MM422710;CCC(C=O)=C(F)CCO;BRPTVWVPEVWBQH-UHFFFAOYSA-N;146.16;1.2;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_P1";;;;;;;0.81;;-0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM422711;MM422711;C=COC1=CN(C=N)NC1;BACBQJOLTFYHPD-UHFFFAOYSA-N;139.16;0.42;;;;;DOPC;MDCG;27;1;"MARTINI bead: SP2_SP3";;;;;;;-2.2;;-6.24;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM422712;MM422712;C#CC(=C)C1CC(NC)C1;ZPVRNFLMRMBDRA-UHFFFAOYSA-N;135.21;1.17;;;;;DOPC;MDCG;27;1;"MARTINI bead: SNd_SC4";;;;;;;2.2;;-2.39;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM422713;MM422713;CCC(C=CCCN)CO;ORSYUUXYPZFKBG-UHFFFAOYSA-N;143.23;0.91;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nda_Nd";;;;;;;0.87;;-4.68;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM422714;MM422714;Nc1o[nH]c2nc(O)cc1-2;NVDWCDZUHNGZGV-UHFFFAOYSA-N;139.11;0.4;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP1_SNda";;;;;;;0.04;;-2.73;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM422715;MM422715;CCC(C#N)=C(F)CCO;WPNJUVLGVKWOMB-UHFFFAOYSA-N;143.16;1.53;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_P1";;;;;;;0.81;;-0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM422716;MM422716;CCC1=C(C)C2(C)CC1C2;APBZROQFEKDHRO-UHFFFAOYSA-N;136.24;3.14;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC1_SC4";;;;;;;4.24;;0.42;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM422717;MM422717;Cc1o[nH]c2nc(O)nc1-2;PCXIKLWWSSIRFE-UHFFFAOYSA-N;139.11;0.52;;;;;DOPC;MDCG;27;0;"MARTINI bead: SN0_SNda";;;;;;;1.17;;-1.13;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM422718;MM422718;CCNN=c1occ(C)o1;MRQKKSVSBMIAOI-UHFFFAOYSA-N;142.16;0.61;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_SP1";;;;;;;-0.79;;-3.13;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM422719;MM422719;C#CC(=C)C1CC(OC)C1;QACMTPDODHCYBK-UHFFFAOYSA-N;136.19;1.6;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNa_SC4";;;;;;;2.2;;0.34;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM422720;MM422720;C=COC1=CN(C=O)NC1;OXHYLUPUSBRHPT-UHFFFAOYSA-N;140.14;-0.04;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP2_SP2";;;;;;;-1.34;;-4.31;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM422721;MM422721;C=CC(CN)=C(F)CCC;HJPRPFWMNRWEEI-UHFFFAOYSA-N;143.21;2.15;;;;;DOPC;MDCG;27;1;"MARTINI bead: C5_N0";;;;;;;1.94;;-0.88;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM422722;MM422722;CC1=C(CN)C2CC1(C)C2;SBSHZLPERFHVKR-UHFFFAOYSA-N;137.23;1.69;;;;;DOPC;MDCG;27;1;"MARTINI bead: SNd_SC4";;;;;;;2.2;;-1.65;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM422723;MM422723;Nc1o[nH]c2nc(O)nc1-2;NGRILXYKCOHHMV-UHFFFAOYSA-N;140.1;-0.21;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP1_SNda";;;;;;;0.04;;-2.73;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM422724;MM422724;CCCC=CC(CC)CF;UEQPLABUBJUIGF-UHFFFAOYSA-N;144.23;3.34;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1_C2";;;;;;;4.87;;0.53;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM422725;MM422725;C#CC(=C)C1CN(CC)C1;WJJZXUBVKHIEEN-UHFFFAOYSA-N;135.21;1.13;;;;;DOPC;MDCG;27;1;"MARTINI bead: SNd_SP1";;;;;;;0.04;;-4.13;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM422726;MM422726;C=CCC1=CN(C=O)OC1;DOAFSMHPGDCVNV-UHFFFAOYSA-N;139.15;0.85;;;;;DOPC;MDCG;27;0;"MARTINI bead: SN0_SP2";;;;;;;0.06;;-2.21;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM422727;MM422727;Nc1nn(C=CF)oc1=O;CLZXJKPAPBMVMC-UHFFFAOYSA-N;145.09;-0.18;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP2_SP1";;;;;;;-1.06;;-3.82;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM422728;MM422728;C=CC(CN)=C(F)CCN;HETXLRXDKDBDFJ-UHFFFAOYSA-N;144.19;0.7;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nda_P2";;;;;;;-0.24;;-6.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM422729;MM422729;C#CC(=N)N1CC(CC)C1;IEWQIBOJUDXATB-UHFFFAOYSA-N;136.2;0.94;;;;;DOPC;MDCG;27;1;"MARTINI bead: SN0_SNd";;;;;;;1.17;;-3.71;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM422730;MM422730;CCC(C=CCCN)CF;OXLZVCJJOUSTRT-UHFFFAOYSA-N;145.22;1.89;;;;;DOPC;MDCG;27;1;"MARTINI bead: C4_Nd";;;;;;;2.2;;-2.18;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM422731;MM422731;N#CCC1=CN(C=O)OC1;NYXXPPNNEOYSJP-UHFFFAOYSA-N;138.13;0.19;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP2_SP1";;;;;;;-1.06;;-3.82;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM422732;MM422732;CCC1=C(C)C2(N)CC1C2;RNDOGJVMYBQIPP-UHFFFAOYSA-N;137.23;1.83;;;;;DOPC;MDCG;27;1;"MARTINI bead: SC1_SNd";;;;;;;2.91;;-0.32;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM422733;MM422733;C=CC(CO)=C(F)CCC;MDPINFAYTTVDJR-UHFFFAOYSA-N;144.19;2.19;;;;;DOPC;MDCG;27;0;"MARTINI bead: C3_Nda";;;;;;;2.57;;0.44;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM422734;MM422734;N=CNC1=CN(C=N)OC1;ZOJWWGDENIRKRO-UHFFFAOYSA-N;140.15;-0.12;;;;;DOPC;MDCG;27;1;"MARTINI bead: SP3_SP1";;;;;;;-1.93;;-7.23;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM422735;MM422735;C#CC(=N)N1CC(NC)C1;RATFBQKPXWWGMF-UHFFFAOYSA-N;137.19;-0.5;;;;;DOPC;MDCG;27;1;"MARTINI bead: SP2_SNd";;;;;;;-0.24;;-5.24;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM422736;MM422736;N=c1cc2occcc-2[nH]1;AWZJNBSBKQQHLC-UHFFFAOYSA-N;134.14;1.19;;;;;DOPC;MDCG;27;1;"MARTINI bead: SNd_SN0";;;;;;;1.17;;-2.71;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM422737;MM422737;CCC(C=CCCO)CF;LPDKFPARUXYUIU-UHFFFAOYSA-N;146.21;1.92;;;;;DOPC;MDCG;27;0;"MARTINI bead: C2_Nda";;;;;;;2.83;;0.57;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM422738;MM422738;CC1=C(CN)C2CC1(N)C2;JELZSAWMHYITDF-UHFFFAOYSA-N;138.21;0.38;;;;;DOPC;MDCG;27;1;"MARTINI bead: SNd_SNd";;;;;;;0.87;;-4.82;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM422739;MM422739;C=CC1CC(C(=C)CC)C1;BDJZHKBEJQOACB-UHFFFAOYSA-N;136.24;3.16;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC1_SC4";;;;;;;4.24;;0.42;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM422740;MM422740;C=CC(CF)=C(F)CCN;RIIAHVLBADEVEY-UHFFFAOYSA-N;147.17;1.71;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1_C4";;;;;;;1.37;;-2.61;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM422741;MM422741;N=CNC1=CN(C=O)OC1;IVVRRHRSDGJPEK-UHFFFAOYSA-N;141.13;-0.57;;;;;DOPC;MDCG;27;1;"MARTINI bead: SP3_SP2";;;;;;;-2.2;;-7.65;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM422742;MM422742;O=c1cc2occcc-2[nH]1;AYNDOHGTJLHNAH-UHFFFAOYSA-N;135.12;1.07;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP2_SN0";;;;;;;0.06;;-2.21;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM422743;MM422743;CCC(C=CCCF)CF;IPMCWNJQIZNJAQ-UHFFFAOYSA-N;148.2;2.9;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4_C5";;;;;;;2.97;;0.45;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM422744;MM422744;CC1=C(CO)C2CC1(N)C2;QCQXDYCQBILQLO-UHFFFAOYSA-N;139.2;0.42;;;;;DOPC;MDCG;27;1;"MARTINI bead: SNda_SNd";;;;;;;0.87;;-4.15;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM422745;MM422745;CCC(C=O)=C(N)CNC;VBKNPNCEVULIGS-UHFFFAOYSA-N;142.2;0.03;;;;;DOPC;MDCG;27;1;"MARTINI bead: C5_P3";;;;;;;-0.33;;-3.53;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM422746;MM422746;C=COC1=CN(C=O)OC1;PRHJRDDHFFOKOJ-UHFFFAOYSA-N;141.13;0.39;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP1_SP2";;;;;;;-1.06;;-3.82;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM422747;MM422747;C=C(CC)C1CC(C=O)C1;VWAXPSXSMWLNFG-UHFFFAOYSA-N;138.21;2.18;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC1_SNa";;;;;;;2.91;;0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM422748;MM422748;O=c1cc2ocnnc-2[nH]1;ZSUGKZRJAHLTJX-UHFFFAOYSA-N;137.1;-0.14;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP2_SP1";;;;;;;-1.06;;-3.82;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM422749;MM422749;C=C(C)n1nc(N)c(=O)o1;GWULMOFLOCCANX-UHFFFAOYSA-N;141.13;-0.09;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP2_SP1";;;;;;;-1.06;;-3.82;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM422750;MM422750;CCCC=CC(CN)CN;VDSGGTQLIZMTPZ-UHFFFAOYSA-N;142.25;0.88;;;;;DOPC;MDCG;27;1;"MARTINI bead: C1_P3";;;;;;;0.94;;-2.48;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM422751;MM422751;C=CCC1=NN(C=N)CC1;JMEUIJHGRMEEOM-UHFFFAOYSA-N;137.19;1.23;;;;;DOPC;MDCG;27;0;"MARTINI bead: SN0_SP2";;;;;;;0.06;;-2.21;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM422752;MM422752;C=CC(CC)=C(C)COC;ILXRMGIMFFJHIJ-UHFFFAOYSA-N;140.23;2.55;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1_P1";;;;;;;2.08;;0.48;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM422753;MM422753;Cc1cnn(N)c(=NN)n1;QPMWACLMPZVHKJ-UHFFFAOYSA-N;140.15;-1.93;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP2_SP3";;;;;;;-2.2;;-5.19;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM422754;MM422754;Cn1nc(N)c(=O)o1;FZKUOJZMWTUXHN-UHFFFAOYSA-N;115.09;-1.04;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP2_SP2";;;;;;;-1.34;;-4.31;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM422755;MM422755;NCC(C=CCCO)CN;ZUGPPXVCTHXHEX-UHFFFAOYSA-N;144.22;-0.54;;;;;DOPC;MDCG;27;1;"MARTINI bead: P3_Nda";;;;;;;-1.1;;-6.65;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM422756;MM422756;CC1=C(CN)C2CC1(O)C2;UHAXWVGCIUWRGD-UHFFFAOYSA-N;139.2;0.42;;;;;DOPC;MDCG;27;1;"MARTINI bead: SNd_SNda";;;;;;;0.87;;-3.84;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM422757;MM422757;CCC(=O)C1CC(C#N)C1;FBIZWQPXXAMOMC-UHFFFAOYSA-N;137.18;1.52;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC5_SN0";;;;;;;1.94;;0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM422758;MM422758;CCC(C=O)=C(C)COC;NBQWLZMRELWKOH-UHFFFAOYSA-N;142.2;1.56;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4_P1";;;;;;;1.37;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM422759;MM422759;C#CC(=NN)N(C=C)C=O;NDUPVRQCBVDMQY-UHFFFAOYSA-N;137.14;-0.51;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nd_P2";;;;;;;-0.24;;-3.16;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM422760;MM422760;CC#CC(=O)C#CC(=O)O;BYPQVIXKUMESFD-UHFFFAOYSA-N;136.11;-0.33;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_P1";;;;;;;0.81;;-6.22;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM422761;MM422761;NCC(C=CCCF)CN;HZFNHVXZNDHDLB-UHFFFAOYSA-N;146.21;0.44;;;;;DOPC;MDCG;27;1;"MARTINI bead: P3_C5";;;;;;;-0.33;;-4.69;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM422762;MM422762;CCC1=C(C)C2(F)CC1C2;AEMKKGUFSXGVBV-UHFFFAOYSA-N;140.2;2.84;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC1_SC5";;;;;;;3.68;;0.46;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM422763;MM422763;C=CCC1=NN(C=O)CC1;OMWAPVMEWAFELE-UHFFFAOYSA-N;138.17;0.78;;;;;DOPC;MDCG;27;0;"MARTINI bead: SN0_SP2";;;;;;;0.06;;-2.21;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM422764;MM422764;N#CC1CC(C(=O)CO)C1;REPGAWKJOOWUOW-UHFFFAOYSA-N;139.15;0.1;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNda_SN0";;;;;;;1.17;;-1.13;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM422765;MM422765;CCC(C#N)=C(C)COC;JHYICQFUEYWVOT-UHFFFAOYSA-N;139.2;1.88;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4_P1";;;;;;;1.37;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM422766;MM422766;N=c1nc2occnc-2[nH]1;GMBVRPYFVOZQAU-UHFFFAOYSA-N;136.11;-0.02;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP2_SNda";;;;;;;-0.24;;-3.31;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM422767;MM422767;CCCC=CC(CN)CF;IFIMQRGBMAOVIR-UHFFFAOYSA-N;145.22;1.89;;;;;DOPC;MDCG;27;1;"MARTINI bead: C1_P1";;;;;;;2.08;;-1.07;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM422768;MM422768;N#CCC1=NN(C=O)CC1;AGYWUZVRAZVGQV-UHFFFAOYSA-N;137.14;0.12;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP2_SP1";;;;;;;-1.06;;-3.82;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM422769;MM422769;CC1=C(CN)C2CC1(F)C2;LILOMFZIJUWGNJ-UHFFFAOYSA-N;141.19;1.39;;;;;DOPC;MDCG;27;1;"MARTINI bead: SNd_SC5";;;;;;;1.64;;-2.12;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM422770;MM422770;C=CC1CC(C(=N)NC)C1;DTDQNQCUUQQGNH-UHFFFAOYSA-N;138.21;1.4;;;;;DOPC;MDCG;27;1;"MARTINI bead: SNd_SC4";;;;;;;2.2;;-4.7;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM422771;MM422771;C=CC(CN)=C(C)COC;ZKYXHBQAQGACOL-UHFFFAOYSA-N;141.21;1.09;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1_C5";;;;;;;0.81;;-2.68;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM422772;MM422772;C=C1NC(=N)C(=O)O1;ZVJQKFGPPKSIJR-UHFFFAOYSA-N;112.09;-0.42;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP1_SP2";;;;;;;-1.06;;-3.82;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM422773;MM422773;NCC(C=CCCF)CF;FKISQBWYPOBIGN-UHFFFAOYSA-N;149.18;1.45;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1_C5";;;;;;;0.81;;-3.17;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM422774;MM422774;CCC1=C(C)C2(C)CC1N2;KTOMTLVALFOFQF-UHFFFAOYSA-N;137.23;1.85;;;;;DOPC;MDCG;27;1;"MARTINI bead: SC1_SNd";;;;;;;2.91;;0.34;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM422775;MM422775;C=CN=C1CCN(C=N)N1;FEPJNELBASWLDD-UHFFFAOYSA-N;138.17;0.35;;;;;DOPC;MDCG;27;1;"MARTINI bead: SP2_SP3";;;;;;;-2.2;;-7.08;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM422776;MM422776;COCC(N)=C(C=O)CO;RMGYJYFGIZFOKI-UHFFFAOYSA-N;145.16;-0.96;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_P2";;;;;;;-1.34;;-4.31;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM422777;MM422777;C=CC1CC(C(=N)NN)C1;UTDUNVDSVXWKGC-UHFFFAOYSA-N;139.2;0.64;;;;;DOPC;MDCG;27;1;"MARTINI bead: SNd_SC4";;;;;;;2.2;;-3.15;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM422778;MM422778;NN=c1cnoc(O)n1;MLLFCLYWDIZYMI-UHFFFAOYSA-N;128.09;-1.45;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP3_SP3";;;;;;;-3.07;;-10.29;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM422779;MM422779;CCCC=CC(CO)CO;IMZFWBUCFOWCSW-UHFFFAOYSA-N;144.21;0.94;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1_P3";;;;;;;0.94;;0.03;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM422780;MM422780;CC1=C(CN)C2CC1(C)N2;JOLVATYFHYZWAU-UHFFFAOYSA-N;138.21;0.4;;;;;DOPC;MDCG;27;1;"MARTINI bead: SNd_SNd";;;;;;;0.87;;-4.09;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM422781;MM422781;C=CN=C1CCN(C=O)N1;GNQNJBQLHRSOSL-UHFFFAOYSA-N;139.16;-0.1;;;;;DOPC;MDCG;27;1;"MARTINI bead: SP2_SP2";;;;;;;-1.34;;-5.6;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM422782;MM422782;CN=C(N)C1CC(C=O)C1;ZMPBWKRBORAHSF-UHFFFAOYSA-N;140.19;0.2;;;;;DOPC;MDCG;27;1;"MARTINI bead: SNd_SNa";;;;;;;0.87;;-6.4;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM422783;MM422783;N=c1cc2ccocc-2[nH]1;WVJDUAJBEOSMAM-UHFFFAOYSA-N;134.14;1.19;;;;;DOPC;MDCG;27;1;"MARTINI bead: SNd_SNd";;;;;;;0.87;;-5.04;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM422784;MM422784;COc1coc(=NN)o1;VLAXARGXCLZIDC-UHFFFAOYSA-N;130.1;-0.34;;;;;DOPC;MDCG;27;0;"MARTINI bead: P3_SP2";;;;;;;-2.2;;-5.19;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM422785;MM422785;NCCC=CC(CF)CF;QXDQKJAZKMCPHY-UHFFFAOYSA-N;149.18;1.45;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_Na";;;;;;;0.87;;-4.64;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM422786;MM422786;CCC1=C(C)C2(C)CC1O2;JEVCXKCCCGTUKF-UHFFFAOYSA-N;138.21;2.27;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC1_SNa";;;;;;;2.91;;0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM422787;MM422787;C=COC1=NN(C=N)CC1;NNSYUBWFIUFPTI-UHFFFAOYSA-N;139.16;0.77;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNa_SP2";;;;;;;-0.24;;-3.24;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM422788;MM422788;CNC(=N)C1CC(C#N)C1;GNBWFKZSVJLUKE-UHFFFAOYSA-N;137.19;0.73;;;;;DOPC;MDCG;27;1;"MARTINI bead: SNd_SN0";;;;;;;1.17;;-6.32;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM422789;MM422789;O=c1cc2ccocc-2[nH]1;LOZCCNZXIHPIBR-UHFFFAOYSA-N;135.12;1.07;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP2_SNd";;;;;;;-0.24;;-3.16;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM422790;MM422790;COCC(F)=C(C#N)CF;RTYSVSDWLAYQMD-UHFFFAOYSA-N;147.12;1.35;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_C5";;;;;;;0.81;;-0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM422791;MM422791;OCCC=CC(CF)CF;ZTMMWEDXCXAHBS-UHFFFAOYSA-N;150.17;1.48;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda_Na";;;;;;;0.87;;-1.99;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM422792;MM422792;C=CC1=C(C)C2(C)CC1C2;VGUWDBXXZMRMQW-UHFFFAOYSA-N;134.22;2.92;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC3_SC4";;;;;;;3.9;;0.47;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM422793;MM422793;C=COC1=NN(C=O)CC1;PUUFOVFIZZHZER-UHFFFAOYSA-N;140.14;0.32;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNa_SP2";;;;;;;-0.24;;-3.24;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM422794;MM422794;CNC(=O)C1CC(C#N)C1;GXRRJGVCFSHVJC-UHFFFAOYSA-N;138.17;0.28;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNda_SN0";;;;;;;1.17;;-1.13;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM422795;MM422795;O=c1cc2ncocc-2[nH]1;ZSBGGYOHFUQFTP-UHFFFAOYSA-N;136.11;0.47;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP2_SNda";;;;;;;-0.24;;-3.31;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM422796;MM422796;C=CC(OC)=C(C)CCO;WKDVSYQDGPILMW-UHFFFAOYSA-N;142.2;1.48;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1_P1";;;;;;;2.08;;0.48;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM422797;MM422797;CC1=C(C=O)C2CC1(C)C2;WMFXCANIVJYYFD-UHFFFAOYSA-N;136.19;1.93;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNa_SC4";;;;;;;2.2;;0.34;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM422798;MM422798;CCC(C=CCNC)CC;MCTNGGRFDVCQED-UHFFFAOYSA-N;141.26;2.2;;;;;DOPC;MDCG;27;1;"MARTINI bead: C1_Nd";;;;;;;2.91;;-0.15;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM422799;MM422799;C#CCC1=CC(C=C)CC1;AMKVKGNGSDHNQU-UHFFFAOYSA-N;132.21;2.53;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC4_SC4";;;;;;;3.53;;0.53;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM422800;MM422800;N#CC1CC(C(=O)NO)C1;LIPVKJMOEDUKEK-UHFFFAOYSA-N;140.14;0.04;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP1_SN0";;;;;;;0.34;;-1.53;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM422801;MM422801;CCCC(C)=C(C#N)OC;UMSVQSHNKNDPML-UHFFFAOYSA-N;139.2;2.23;;;;;DOPC;MDCG;27;0;"MARTINI bead: C3_Na";;;;;;;2.57;;0.45;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM422802;MM422802;O=c1cc2nconc-2[nH]1;JBHVDKLMNRCNMZ-UHFFFAOYSA-N;137.1;-0.14;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP2_SNda";;;;;;;-0.24;;-3.31;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM422803;MM422803;CC1=C(C#N)C2CC1(C)C2;BIMZIYKVNXYFPV-UHFFFAOYSA-N;133.19;2.26;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC5_SC4";;;;;;;2.97;;0.45;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM422804;MM422804;CCC(C=CCNC)CN;YRSXZGGOOBFUFL-UHFFFAOYSA-N;142.25;0.75;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_Nd";;;;;;;0.87;;-5.03;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM422805;MM422805;C#CCC1=CC(C=O)CC1;PAHFXGJECGXLRC-UHFFFAOYSA-N;134.18;1.55;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNa_SC4";;;;;;;2.2;;0.34;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM422806;MM422806;C=CC1CC(C(=C)OC)C1;IZJGCDCWYIHCEV-UHFFFAOYSA-N;138.21;2.36;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC4_SC4";;;;;;;3.53;;0.53;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM422807;MM422807;CC(C=CC#N)C(C)(C)O;ABOYIRCZNCBXQB-UHFFFAOYSA-N;139.2;1.47;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_Nda";;;;;;;1.64;;0.05;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM422808;MM422808;O=c1nc2cconc-2[nH]1;JXIUTJJFRLNZTJ-UHFFFAOYSA-N;137.1;-0.14;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP3_SNda";;;;;;;-1.1;;-3.97;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM422809;MM422809;CC12CC(C1)C(C#N)=C2N;BTCBAGGLICDYKP-UHFFFAOYSA-N;134.18;1.15;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC4_SNd";;;;;;;2.2;;0.32;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM422810;MM422810;C#CCC1=CC(C#N)CC1;IGONJFOCHZDUDI-UHFFFAOYSA-N;131.18;1.87;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC4_SN0";;;;;;;2.5;;0.44;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM422811;MM422811;C=C(OC)C1CC(C#N)C1;UARZWYDFCRRNIP-UHFFFAOYSA-N;137.18;1.7;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC4_SN0";;;;;;;2.5;;0.44;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM422812;MM422812;CCC(C=CCNC)CO;GIWKBEBFIIIFHI-UHFFFAOYSA-N;143.23;0.78;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nda_Nd";;;;;;;0.87;;-4.25;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM422813;MM422813;Nc1cc(F)n(N)n1;NCTCITXQZCBXLQ-UHFFFAOYSA-N;116.1;-0.68;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP1_SNda";;;;;;;0.04;;-2.73;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM422814;MM422814;C=CC(OC)=C(F)CCO;HWTLJJDFMXQGIX-UHFFFAOYSA-N;146.16;1.38;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4_P1";;;;;;;1.37;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM422815;MM422815;C=CC1=C(C)C2(N)CC1C2;VMUUUBZUJPUXKF-UHFFFAOYSA-N;135.21;1.61;;;;;DOPC;MDCG;27;1;"MARTINI bead: SC3_SNd";;;;;;;2.57;;-1.24;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM422816;MM422816;C=CC1CC(C(=C)CC)N1;RTLMZQOTQHDKCU-UHFFFAOYSA-N;137.23;1.87;;;;;DOPC;MDCG;27;1;"MARTINI bead: SN0_SNd";;;;;;;1.17;;-3.18;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM422817;MM422817;C#CCC1=CC(C=C)NC1;DXJUASPZTUWWOR-UHFFFAOYSA-N;133.19;1.09;;;;;DOPC;MDCG;27;1;"MARTINI bead: SNd_SP1";;;;;;;0.04;;-5.34;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM422818;MM422818;CNCC=CC(CN)CN;QJIXJNMUPRFBQT-UHFFFAOYSA-N;143.23;-0.7;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_P3";;;;;;;-1.1;;-6.76;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM422819;MM422819;N#CC(C#CC(=O)O)=CN;VMELZFJHSDZBSC-UHFFFAOYSA-N;136.11;-0.56;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_P1";;;;;;;-0.79;;-9.02;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM422820;MM422820;COC(C=O)=C(F)CCO;IOMIDWIXUALSKT-UHFFFAOYSA-N;148.13;0.4;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_P1";;;;;;;0.04;;-2.54;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM422821;MM422821;C=CC1CC(C(=C)CO)N1;GEJORZKLOULBTL-UHFFFAOYSA-N;139.2;0.45;;;;;DOPC;MDCG;27;1;"MARTINI bead: SP2_SNd";;;;;;;-0.24;;-4.76;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM422822;MM422822;C#CC1=CCC(O)(CC)C1;SDPUZMLUQXIKJX-UHFFFAOYSA-N;136.19;1.48;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC5_SC5";;;;;;;2.41;;0.64;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM422823;MM422823;C#CCC1=CC(C=O)NC1;JEEQFHNBBPKWJC-UHFFFAOYSA-N;135.17;0.11;;;;;DOPC;MDCG;27;1;"MARTINI bead: SP2_SP1";;;;;;;-1.06;;-5.27;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM422824;MM422824;CNCC=CC(CF)CF;YVHKBMUTCDFSEE-UHFFFAOYSA-N;149.18;1.32;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_Na";;;;;;;0.87;;-4.22;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM422825;MM422825;NN=c1o[nH]nnc1=O;IDUZXKGNIAVCPH-UHFFFAOYSA-N;129.08;-2.47;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP2_SP2";;;;;;;-1.34;;-9.63;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM422826;MM422826;CNCC(N)=C(C=O)OC;KRWNXYPDDMADPC-UHFFFAOYSA-N;144.17;-0.78;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1_P2";;;;;;;-1.06;;-5.12;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM422827;MM422827;C=CC1CC(C(=C)CC)O1;UFLGLXSNRZXBQW-UHFFFAOYSA-N;138.21;2.3;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC5_SNa";;;;;;;1.64;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM422828;MM422828;CC1=C(C#N)C2CC1(O)C2;ZAHSATKDAXXTDZ-UHFFFAOYSA-N;135.17;0.98;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC5_SNda";;;;;;;1.64;;0.05;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM422829;MM422829;C#CCC1=CC(C#N)NC1;GTYMECNZELLQSP-UHFFFAOYSA-N;132.17;0.43;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP1_SP1";;;;;;;-0.79;;-3.13;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM422830;MM422830;CCC(C=CCOC)CC;DXTUNQRXAJJPDY-UHFFFAOYSA-N;142.24;2.63;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1_Na";;;;;;;2.91;;0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM422831;MM422831;N=c1cc2nc[nH]oc-2n1;FZRKIAFNLKSJKP-UHFFFAOYSA-N;136.11;-0.02;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNd_SP1";;;;;;;0.04;;-2.63;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM422832;MM422832;C=CC(OC)=C(C)COC;GVNCOEZZWUDPMS-UHFFFAOYSA-N;142.2;1.74;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_C1";;;;;;;2.08;;0.48;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM422833;MM422833;C=CC1CC(C(=C)CO)O1;XIUQOMVHRGSEBI-UHFFFAOYSA-N;140.18;0.88;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNda_SNa";;;;;;;0.87;;-1.99;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM422834;MM422834;C=CC1=C(C)C2(F)CC1C2;OFQMLSHYAWSVPX-UHFFFAOYSA-N;138.19;2.62;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC3_SC5";;;;;;;3.34;;0.48;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM422835;MM422835;C#CCC1=CC(C=C)OC1;KGYACEFECPVVHG-UHFFFAOYSA-N;134.18;1.52;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNa_SN0";;;;;;;1.17;;-1.18;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM422836;MM422836;CCC(C=CCOC)CN;KYJCJYKRAQVEON-UHFFFAOYSA-N;143.23;1.17;;;;;DOPC;MDCG;27;1;"MARTINI bead: C5_Na";;;;;;;1.64;;-2.7;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM422837;MM422837;O=c1cc2nc[nH]oc-2n1;PXTHYZAIDYGOFE-UHFFFAOYSA-N;137.1;-0.14;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP2_SP1";;;;;;;-1.06;;-3.82;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM422838;MM422838;C=CC(OC)=C(F)COC;PZDGUXDNDVIMKX-UHFFFAOYSA-N;146.16;1.65;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_C4";;;;;;;1.37;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM422839;MM422839;C=C(CC)C1CC(C=O)O1;ZTRPGFBOSWHUSV-UHFFFAOYSA-N;140.18;1.31;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC5_SP1";;;;;;;0.81;;-0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM422840;MM422840;C#CCC1=CC(C=O)OC1;DIKPCUPZPMOFCK-UHFFFAOYSA-N;136.15;0.53;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP1_SN0";;;;;;;0.34;;-1.53;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM422841;MM422841;CC1=C(C#N)C2CC1(F)C2;UAZCSUIBQPITCW-UHFFFAOYSA-N;137.16;1.96;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC5_SC5";;;;;;;2.41;;0.64;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM422842;MM422842;CCC(C=O)NC=CC#N;SPAVPJUAOCNHSG-UHFFFAOYSA-N;138.17;0.59;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_P1";;;;;;;0.81;;-0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM422843;MM422843;O=c1nn[nH]c(=NO)nn1;OFRSBQAIPXOVFA-UHFFFAOYSA-N;142.08;-2.76;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP4_SP4";;;;;;;-3.24;;-11.09;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM422844;MM422844;CCNC(C)=C(C#N)CC;NVZXALGAWUGFHB-UHFFFAOYSA-N;138.21;1.8;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_C4";;;;;;;1.37;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM422845;MM422845;C=C(CC)C1CC(C#N)O1;JPCTZXMMTPJSSZ-UHFFFAOYSA-N;137.18;1.63;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC5_SP1";;;;;;;0.81;;-0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM422846;MM422846;C#CCC1=CC(C#N)OC1;NNTARERBOQWJHQ-UHFFFAOYSA-N;133.15;0.86;;;;;DOPC;MDCG;27;0;"MARTINI bead: SN0_SNa";;;;;;;1.17;;-1.18;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM422847;MM422847;C=CC1=C(C)C2(C)CC1N2;SJIMGRCHTXGAIS-UHFFFAOYSA-N;135.21;1.62;;;;;DOPC;MDCG;27;1;"MARTINI bead: SC3_SNd";;;;;;;2.57;;-0.27;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM422848;MM422848;CCC(C=CCOC)CF;VWNCMZYBKCTHOJ-UHFFFAOYSA-N;146.21;2.18;;;;;DOPC;MDCG;27;0;"MARTINI bead: C2_Na";;;;;;;2.83;;0.35;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM422849;MM422849;O=c1cc2occnc-2[nH]1;DZXGGGJKJZKSEE-UHFFFAOYSA-N;136.11;0.47;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP2_SNda";;;;;;;-0.24;;-3.31;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM422850;MM422850;CCC(C)(O)CC=CC#N;HHURYCZURSZFFM-UHFFFAOYSA-N;139.2;1.62;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda_N0";;;;;;;1.17;;-1.13;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM422851;MM422851;C=C(CO)C1CC(C#N)O1;WOFCYPAMJBZZHB-UHFFFAOYSA-N;139.15;0.22;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNda_SP1";;;;;;;0.04;;-2.73;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM422852;MM422852;C#CCC1=CC(C=C)CO1;ASGULSQRVPHVMX-UHFFFAOYSA-N;134.18;1.73;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC5_SNa";;;;;;;1.64;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM422853;MM422853;COCC=CC(CO)CO;ODLWPTAYMIKRPD-UHFFFAOYSA-N;146.19;-0.21;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_P2";;;;;;;-0.24;;-3.24;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM422854;MM422854;CC1=C(C#N)C2CC1(C)N2;RWHKKBNVQKPWLB-UHFFFAOYSA-N;134.18;0.96;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC5_SNd";;;;;;;1.64;;0.03;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM422855;MM422855;N#CC(=COC=O)C(=O)O;FYXRRZNIABMHSE-UHFFFAOYSA-N;141.08;-0.35;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_Na";;;;;;;0.04;;-8.57;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM422856;MM422856;C=CC(CC)=C(C)OCC;FMSBPHVQLNLHQO-UHFFFAOYSA-N;140.23;2.89;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_C1";;;;;;;2.08;;0.48;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM422857;MM422857;C#CCC1=CC(C=O)CO1;RESVAIXAHJNJAR-UHFFFAOYSA-N;136.15;0.74;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNa_SNa";;;;;;;0.87;;-2.22;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM422858;MM422858;C=C(CN)C1CN(C=N)C1;FKPJIDHQQLHFSH-UHFFFAOYSA-N;139.2;0.04;;;;;DOPC;MDCG;27;1;"MARTINI bead: SP2_SP1";;;;;;;-1.06;;-7.67;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM422860;MM422860;C=CC1=C(C)C2(C)CC1O2;DCVJBGRYWIVJTJ-UHFFFAOYSA-N;136.19;2.05;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC3_SNa";;;;;;;2.57;;0.45;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM422859;MM422859;CCOC=CC(CC)CC;JWQYCGPMYRHDFV-UHFFFAOYSA-N;142.24;2.97;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_C1";;;;;;;3.68;;0.46;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM422861;MM422861;O=CC(C=O)C(=O)CCO;JASCWUKJTHDBJG-UHFFFAOYSA-N;144.13;-1.05;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_Na";;;;;;;-0.24;;-8.65;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM422862;MM422862;C=CC(CN)=C(C)OCC;GWTWWPIBUNWHED-UHFFFAOYSA-N;141.21;1.44;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1_C5";;;;;;;0.81;;-2.61;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM422863;MM422863;C#CCC1=CC(C#N)CO1;JLGKFRTULQJVAA-UHFFFAOYSA-N;133.15;1.06;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNa_SN0";;;;;;;1.17;;-1.18;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM422864;MM422864;C=C(CO)C1CN(C=N)C1;DLYZVCCMNMKOOU-UHFFFAOYSA-N;140.19;0.07;;;;;DOPC;MDCG;27;1;"MARTINI bead: SP1_SP1";;;;;;;-0.79;;-7.04;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM422865;MM422865;CC1=C(C#N)C2CC1(C)O2;QSKHSZKITNUGSM-UHFFFAOYSA-N;135.17;1.39;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC5_SNa";;;;;;;1.64;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM422866;MM422866;CCOC=CC(CC)CN;HSMQNEVAURILJL-UHFFFAOYSA-N;143.23;1.52;;;;;DOPC;MDCG;27;1;"MARTINI bead: C5_Nd";;;;;;;1.64;;-2.67;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM422867;MM422867;CCC1Cn2cc(O)cc21;GLEVEIVYACBAAI-UHFFFAOYSA-N;137.18;1.7;;;;;DOPC;MDCG;27;0;"MARTINI bead: SN0_SNda";;;;;;;1.17;;-1.13;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM422868;MM422868;CCOC(C)=C(C#N)CO;BXILRDSVYTVKIP-UHFFFAOYSA-N;141.17;0.81;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_P2";;;;;;;0.54;;-1.09;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM422869;MM422869;C=C(CF)C1CN(C=N)C1;PGTGLPWBGBGYTJ-UHFFFAOYSA-N;142.18;1.05;;;;;DOPC;MDCG;27;1;"MARTINI bead: SNa_SP1";;;;;;;0.04;;-6.43;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM422870;MM422870;C#CCC1=CN(C=N)CC1;OWMYMNZNNWIFIU-UHFFFAOYSA-N;134.18;1.21;;;;;DOPC;MDCG;27;1;"MARTINI bead: SP1_SN0";;;;;;;0.34;;-4.94;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM422871;MM422871;C#CC1=C(C)C2(C)CC1C2;WFFIQSGRMWYTPG-UHFFFAOYSA-N;132.21;2.37;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC5_SC4";;;;;;;2.97;;0.45;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM422872;MM422872;CCOC=CC(CC)CO;YIKVTJNLEUAORR-UHFFFAOYSA-N;144.21;1.56;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_Nda";;;;;;;1.64;;0.05;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM422873;MM422873;NCC1Cn2cc(O)cc21;UPRBYLNXNPMSQY-UHFFFAOYSA-N;138.17;0.25;;;;;DOPC;MDCG;27;1;"MARTINI bead: SP2_SNda";;;;;;;-0.24;;-5.85;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM422874;MM422874;C=C(CC)C1CN(C=O)C1;FHJITCCQLRURCR-UHFFFAOYSA-N;139.2;1.04;;;;;DOPC;MDCG;27;0;"MARTINI bead: SN0_SP1";;;;;;;0.34;;-1.53;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM422875;MM422875;CC(F)C(=N)N=C(N)C=O;CLYALKPILPILFV-UHFFFAOYSA-N;145.14;-0.12;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_P3";;;;;;;-0.33;;-2.01;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM422876;MM422876;C#CCC1=CN(C=O)CC1;JOTOESSZEUWTDC-UHFFFAOYSA-N;135.17;0.76;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP1_SN0";;;;;;;0.34;;-1.53;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM422877;MM422877;CCOC=CC(CC)CF;TZHDSEAFZCJPSG-UHFFFAOYSA-N;146.21;2.53;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_C4";;;;;;;2.97;;0.45;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM422878;MM422878;C#CC1=C(C)C2(N)CC1C2;FHTSKNKPOIOTMC-UHFFFAOYSA-N;133.19;1.06;;;;;DOPC;MDCG;27;1;"MARTINI bead: SC5_SNd";;;;;;;1.64;;-2.4;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM422879;MM422879;CCC1Nc2cn(O)cc21;NPFUUWFHEOUQNH-UHFFFAOYSA-N;138.17;1.6;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNd_SNda";;;;;;;0.87;;-1.92;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM422880;MM422880;C=C(CO)C1CN(C=O)C1;UZCXDPJTYNARDQ-UHFFFAOYSA-N;141.17;-0.38;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP1_SP1";;;;;;;-0.79;;-3.13;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM422881;MM422881;CCOC(C)=C(C#N)OC;IKSFZHVNOFKYGD-UHFFFAOYSA-N;141.17;1.42;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_P1";;;;;;;0.81;;-0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM422882;MM422882;C#CCC1=CN(C=N)NC1;VHZZSCHYYAMCLO-UHFFFAOYSA-N;135.17;0.32;;;;;DOPC;MDCG;27;1;"MARTINI bead: SP3_SP2";;;;;;;-2.2;;-7.36;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM422883;MM422883;CCOC=CC(CN)CN;FSMRROGIKUJJHK-UHFFFAOYSA-N;144.22;0.07;;;;;DOPC;MDCG;27;1;"MARTINI bead: C5_P3";;;;;;;-0.33;;-4.68;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM422884;MM422884;C#CC(CF)NC(=N)C#N;USQQLKDZXPQBMU-UHFFFAOYSA-N;139.13;0.05;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_P2";;;;;;;-0.24;;-3.24;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM422885;MM422885;NCC1Nc2cn(O)cc21;ZXSZDKMAXYYNHE-UHFFFAOYSA-N;139.16;0.15;;;;;DOPC;MDCG;27;1;"MARTINI bead: SP2_SNda";;;;;;;-0.24;;-5.12;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM422886;MM422886;NN=c1nc(F)cnn1N;HRQZGFASFHEJPT-UHFFFAOYSA-N;144.11;-2.09;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP3_SP2";;;;;;;-2.2;;-5.19;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM422887;MM422887;C=CC(CC)=C(C)CC=O;KFBFFAWOQRRHQE-UHFFFAOYSA-N;138.21;2.49;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1_Na";;;;;;;2.91;;0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM422888;MM422888;C#CCC1=CN(C=O)NC1;JYVRFTDEPKQTKI-UHFFFAOYSA-N;136.15;-0.13;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP2_SP2";;;;;;;-1.34;;-4.31;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM422889;MM422889;CCOC=CC(CN)CO;JSFRCMGORLCPSO-UHFFFAOYSA-N;145.2;0.1;;;;;DOPC;MDCG;27;1;"MARTINI bead: Na_P2";;;;;;;-0.24;;-5.63;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM422890;MM422890;C#CC1=C(C)C2(F)CC1C2;ZEZOSGQLQSUOTC-UHFFFAOYSA-N;136.17;2.07;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC5_SC5";;;;;;;2.41;;0.64;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM422891;MM422891;CCC1Oc2cn(O)cc21;FEYMBVSMYMJOCP-UHFFFAOYSA-N;139.15;1.57;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNa_SNda";;;;;;;0.87;;-1.99;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM422892;MM422892;C=NN1CC(C(=C)CF)C1;SJFXOYAYMBCRAI-UHFFFAOYSA-N;142.18;1.06;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNa_SP1";;;;;;;0.04;;-2.54;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM422893;MM422893;C=CCC(C)=C(C=O)CF;LPLOVQFNUFJJOP-UHFFFAOYSA-N;142.17;2.05;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4_Na";;;;;;;2.2;;0.34;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM422894;MM422894;C#CCC1=CN(C=O)OC1;WQRBSYMFNRLUEQ-UHFFFAOYSA-N;137.14;0.3;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP2_SP1";;;;;;;-1.06;;-3.82;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM422895;MM422895;CCOC=CC(CN)CF;GBOPQOWRCMFTCR-UHFFFAOYSA-N;147.19;1.08;;;;;DOPC;MDCG;27;1;"MARTINI bead: C5_P1";;;;;;;0.81;;-3.17;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM422896;MM422896;C#CC1=C(C)C2(C)CC1O2;QNIAZZDZAZSZJG-UHFFFAOYSA-N;134.18;1.5;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC5_SNa";;;;;;;1.64;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM422897;MM422897;C=NNC1CC(=O)C1;LCVWCMHUGXIWDC-UHFFFAOYSA-N;112.13;-0.08;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNd_SNa";;;;;;;0.87;;-1.88;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM422898;MM422898;C=CC(=C)C1CC(C=C)C1;JEDUJDXWYKUOER-UHFFFAOYSA-N;134.22;2.94;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC4_SC2";;;;;;;4.16;;0.44;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM422899;MM422899;CN1C(C(=O)C=O)C1(C)C;CWEHALQKBUPRHR-UHFFFAOYSA-N;141.17;-0.15;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_SNd";;;;;;;0.87;;-1.88;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM422900;MM422900;C#CCC1=NN(C=N)CC1;JHVLAGHTWLDWHJ-UHFFFAOYSA-N;135.17;0.68;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP2_SP1";;;;;;;-1.06;;-3.82;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM422901;MM422901;CCOC=CC(CO)CF;BIOOSZIFCWWOLG-UHFFFAOYSA-N;148.18;1.11;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_Nda";;;;;;;0.87;;-1.99;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM422902;MM422902;CC=C1C(C)CC2(C)CC12;SKIFXLXBIAOMBN-UHFFFAOYSA-N;136.24;3;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC1_SC4";;;;;;;4.24;;0.42;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM422903;MM422903;CC1CC(C2OC2C)C1F;HYXREFYCCQVYSL-UHFFFAOYSA-N;144.19;1.77;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC5_SNa";;;;;;;1.64;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM422904;MM422904;N#CCC(N)=C(C#N)CO;LFNLMUKAOCBNQK-UHFFFAOYSA-N;137.14;-0.37;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_P2";;;;;;;-1.06;;-3.82;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM422905;MM422905;C=CC1CC(C(=C)C=O)C1;UQWCUYWYEHEABK-UHFFFAOYSA-N;136.19;1.95;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC4_SC5";;;;;;;2.97;;0.45;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM422906;MM422906;C#CCC1=NN(C=O)CC1;OHAXRRGUVOSBBG-UHFFFAOYSA-N;136.15;0.23;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP2_SP1";;;;;;;-1.06;;-3.82;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM422907;MM422907;CCCC=CC(CC)NC;XVGMKXXZFAQGMF-UHFFFAOYSA-N;141.26;2.34;;;;;DOPC;MDCG;27;1;"MARTINI bead: C1_C5";;;;;;;3.68;;0.58;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM422908;MM422908;CC1CC(C2CN2C)N1C;ONZIGWQKELWLBK-UHFFFAOYSA-N;140.23;0.39;;;;;DOPC;MDCG;27;1;"MARTINI bead: SP1_SNd";;;;;;;0.04;;-4.05;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM422909;MM422909;N#CCC(N)=C(C#N)CF;YRBJGKVNMFOAPX-UHFFFAOYSA-N;139.13;0.61;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_Na";;;;;;;0.04;;-2.54;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM422910;MM422910;CC=C1C(C)CC2(N)CC12;QCNHCVVUQOZOHS-UHFFFAOYSA-N;137.23;1.69;;;;;DOPC;MDCG;27;1;"MARTINI bead: SC1_SNd";;;;;;;2.91;;-0.59;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM422911;MM422911;C=CC1CC(C(=C)C#N)C1;HTEDCURMAOHCKS-UHFFFAOYSA-N;133.19;2.28;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC4_SC5";;;;;;;2.97;;0.45;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM422912;MM422912;C#CC1C=C(CCC)CC1;HRORQNVBEZWPGR-UHFFFAOYSA-N;134.22;2.76;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC1_SC5";;;;;;;3.68;;0.46;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM422913;MM422913;CCC(C=CCCN)NC;RFGQWNLHCVZDGQ-UHFFFAOYSA-N;142.25;0.89;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_Nd";;;;;;;0.87;;-5.07;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM422914;MM422914;N#CC(=N)NOC=O;WXOIZBHONLNWBA-UHFFFAOYSA-N;113.08;-0.84;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_P2";;;;;;;-1.06;;-3.82;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM422915;MM422915;CCN1CCC2(C)CC1C2;FYSROVAHTPNZMN-UHFFFAOYSA-N;139.24;1.88;;;;;DOPC;MDCG;27;1;"MARTINI bead: SC5_SC3";;;;;;;3.34;;0.32;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM422916;MM422916;C=CC(=C)C1CC(C=O)C1;HGDLOPRWBLLYDJ-UHFFFAOYSA-N;136.19;1.95;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC2_SNa";;;;;;;2.83;;0.35;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM422917;MM422917;CCC(C#N)=C(F)CC#N;WATLNGDLVNUZMW-UHFFFAOYSA-N;138.15;2.06;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_P1";;;;;;;0.81;;-0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM422918;MM422918;CCC(C=CCCF)NC;PGFBGQUMCJAAMQ-UHFFFAOYSA-N;145.22;1.9;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_C5";;;;;;;1.64;;-2.43;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM422919;MM422919;C#CC1C=C(CCN)CC1;ZSBUFJNCHMSIGC-UHFFFAOYSA-N;135.21;1.3;;;;;DOPC;MDCG;27;1;"MARTINI bead: SNd_SC5";;;;;;;1.64;;-2.66;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM422920;MM422920;CC1Cn2c1cncc2=N;ZVAFOJIKJFCBIL-UHFFFAOYSA-N;135.17;0.48;;;;;DOPC;MDCG;27;1;"MARTINI bead: SP1_SP2";;;;;;;-1.06;;-5.71;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM422921;MM422921;CCN1CCC2(N)CC1C2;KUAMQLJJUWLABZ-UHFFFAOYSA-N;140.23;0.57;;;;;DOPC;MDCG;27;1;"MARTINI bead: SC5_SNd";;;;;;;1.64;;-2.77;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM422922;MM422922;C=CC(=C)C1CC(C#N)C1;GNOZWHKRKJQLNG-UHFFFAOYSA-N;133.19;2.28;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC2_SN0";;;;;;;3.13;;0.3;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM422923;MM422923;C=CCC(F)=C(C=C)CN;XSYNBUSSFWDINB-UHFFFAOYSA-N;141.19;1.93;;;;;DOPC;MDCG;27;1;"MARTINI bead: P2_C1";;;;;;;1.8;;-1.01;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM422924;MM422924;CCCC=CC(CN)NC;GJVJJQMCISKQDU-UHFFFAOYSA-N;142.25;0.89;;;;;DOPC;MDCG;27;1;"MARTINI bead: C1_P2";;;;;;;1.8;;-1.13;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM422925;MM422925;C#CC1C=C(OCC)CC1;SUOWDFRHXKUOBV-UHFFFAOYSA-N;136.19;1.95;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC4_SC5";;;;;;;2.97;;0.45;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM422926;MM422926;CC1Cn2c1cncc2=O;NSSZJNFZEHTGHP-UHFFFAOYSA-N;136.15;0.36;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP1_SP2";;;;;;;-1.06;;-3.82;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM422927;MM422927;CCN1CCC2(F)CC1C2;IMESYFNMVHCDIA-UHFFFAOYSA-N;143.21;1.58;;;;;DOPC;MDCG;27;1;"MARTINI bead: SC5_SC5";;;;;;;2.41;;-0.21;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM422928;MM422928;C=C(C=O)C1CC(C=O)C1;PAYOUHBMSBNIBT-UHFFFAOYSA-N;138.17;0.97;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC5_SNa";;;;;;;1.64;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM422929;MM422929;CNC(C=CCCN)CO;WGTOUGBYYKPXNV-UHFFFAOYSA-N;144.22;-0.53;;;;;DOPC;MDCG;27;1;"MARTINI bead: P2_Nd";;;;;;;-0.24;;-5.95;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM422930;MM422930;C=CCC(F)=C(C=O)CO;LYKDWWWQMMUGFD-UHFFFAOYSA-N;144.15;0.98;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_C5";;;;;;;0.54;;-1.09;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM422931;MM422931;C#CC1C=C(CCC)CN1;FLEABCVONUATDM-UHFFFAOYSA-N;135.21;1.32;;;;;DOPC;MDCG;27;1;"MARTINI bead: SN0_SP1";;;;;;;0.34;;-3.72;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM422932;MM422932;N=c1cncc2n1CC2N;GFQYJORJASBVPO-UHFFFAOYSA-N;136.16;-0.62;;;;;DOPC;MDCG;27;1;"MARTINI bead: SP2_SP2";;;;;;;-1.34;;-5.64;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM422933;MM422933;CC12CCN(C=N)C(C1)C2;OPILGDCRNAGJEG-UHFFFAOYSA-N;138.21;1.47;;;;;DOPC;MDCG;27;1;"MARTINI bead: SC3_SNd";;;;;;;2.57;;-2.64;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM422934;MM422934;C=C(C#N)C1CC(C=O)C1;NBSAOJRMHGCUPL-UHFFFAOYSA-N;135.17;1.29;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC5_SNa";;;;;;;1.64;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM422935;MM422935;CNCC=CC(CN)NC;PXHSBBQUIJKQHH-UHFFFAOYSA-N;143.23;-0.69;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_P3";;;;;;;-1.1;;-6.49;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM422936;MM422936;COC(C=O)=C(N)CC=O;DHPCZTPBMXPTNJ-UHFFFAOYSA-N;143.14;-0.41;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_Na";;;;;;;-0.24;;-3.24;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM422937;MM422937;C#CC1C=C(CCN)CN1;SLHOCLACSSUMMV-UHFFFAOYSA-N;136.2;-0.13;;;;;DOPC;MDCG;27;1;"MARTINI bead: SP2_SP1";;;;;;;-1.06;;-6.66;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM422938;MM422938;O=c1cncc2n1CC2O;SXCSWZUPGOKSGX-UHFFFAOYSA-N;138.13;-0.71;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP2_SP2";;;;;;;-1.34;;-4.31;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM422939;MM422939;N=CN1CCC2(N)CC1C2;RXQGBKXWDPYWHW-UHFFFAOYSA-N;139.2;0.16;;;;;DOPC;MDCG;27;1;"MARTINI bead: SNd_SNd";;;;;;;0.87;;-5.98;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM422940;MM422940;C=C(C=O)C1CC(C#N)C1;VPRBWEOVQWHVEQ-UHFFFAOYSA-N;135.17;1.29;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC5_SN0";;;;;;;1.94;;0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM422941;MM422941;C=CC(OC)=C(F)CC#N;JEYKQPWJJVXXHY-UHFFFAOYSA-N;141.15;1.91;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4_P1";;;;;;;1.37;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM422942;MM422942;CNC(C=CCOC)CO;OAUHHYGTRABVHD-UHFFFAOYSA-N;145.2;-0.23;;;;;DOPC;MDCG;27;1;"MARTINI bead: P2_Na";;;;;;;-0.24;;-5.02;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM422943;MM422943;C#CC1C=C(CNC)CN1;BTUXVXRSQVHEED-UHFFFAOYSA-N;136.2;-0.26;;;;;DOPC;MDCG;27;1;"MARTINI bead: SP2_SP1";;;;;;;-1.06;;-6.07;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM422944;MM422944;O=c1cncc2n1CC2F;VDWGARLCMKGLSB-UHFFFAOYSA-N;140.12;0.27;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP2_SP2";;;;;;;-1.34;;-4.31;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM422945;MM422945;C=C(C#N)C1CC(C#N)C1;KVRMBWJHPPJXGK-UHFFFAOYSA-N;132.17;1.62;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC5_SN0";;;;;;;1.94;;0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM422946;MM422946;O=CN1CCC2(F)CC1C2;RLDMLLKHDANNAK-UHFFFAOYSA-N;143.16;0.72;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC5_SNda";;;;;;;1.64;;0.05;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM422947;MM422947;C=CCC(F)=C(C#N)OC;VVUGAADYPOEROI-UHFFFAOYSA-N;141.15;1.91;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_C4";;;;;;;2.2;;0.34;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM422948;MM422948;CCOC=CC(CC)NC;GQIIZLKGGBSRPN-UHFFFAOYSA-N;143.23;1.53;;;;;DOPC;MDCG;27;1;"MARTINI bead: C5_Nd";;;;;;;1.64;;-2.2;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM422949;MM422949;C#CC1C=C(CCC)CO1;ZLCYMWVFOCMKCZ-UHFFFAOYSA-N;136.19;1.74;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC5_SNa";;;;;;;1.64;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM422950;MM422950;CC1Cn2c1nncc2=N;YICWTXQRJDCALK-UHFFFAOYSA-N;136.16;-0.13;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP1_SP2";;;;;;;-1.06;;-3.82;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM422951;MM422951;C=CC1CC(C(=O)C=O)C1;CELKLPMJEVYXTH-UHFFFAOYSA-N;138.17;0.97;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC4_SNa";;;;;;;2.2;;0.34;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM422952;MM422952;COC(C=O)=C(F)CC#N;HGJLNDBRODFFSV-UHFFFAOYSA-N;143.12;0.93;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_C5";;;;;;;0.54;;-1.09;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM422953;MM422953;C=NN1CCC2(C)CC1C2;WUHYMICTQABVPS-UHFFFAOYSA-N;138.21;1.48;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC3_SN0";;;;;;;2.87;;0.37;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM422954;MM422954;CCOC=CC(CN)NC;IYOXCGWSWYCQOM-UHFFFAOYSA-N;144.22;0.08;;;;;DOPC;MDCG;27;1;"MARTINI bead: Na_P2";;;;;;;-0.24;;-5.38;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM422955;MM422955;CC1Cn2c1nncc2=O;XVDKCSQTZVLCOD-UHFFFAOYSA-N;137.14;-0.24;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP1_SP3";;;;;;;-1.93;;-4.72;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM422956;MM422956;C#CC1C=C(CCN)CO1;SODLPVFMPCUWGJ-UHFFFAOYSA-N;137.18;0.29;;;;;DOPC;MDCG;27;1;"MARTINI bead: SP1_SNa";;;;;;;0.04;;-5.28;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM422957;MM422957;C=CC(=O)C1CC(C=O)C1;QAXRIETZQMPORE-UHFFFAOYSA-N;138.17;0.97;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNa_SNa";;;;;;;0.87;;-2.22;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM422958;MM422958;CCC(C)(C)C1NC1C=O;CRVWWJPLVKULHO-UHFFFAOYSA-N;141.21;0.96;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1_SP2";;;;;;;1.8;;0.41;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM422959;MM422959;CCC(C=O)=C(C)N=CN;MHDLEAQTTLVIFP-UHFFFAOYSA-N;140.19;0.86;;;;;DOPC;MDCG;27;1;"MARTINI bead: C4_P3";;;;;;;0.23;;-3.37;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM422960;MM422960;CCCC=CC(CC)OC;CYSQFLOPSAUAFN-UHFFFAOYSA-N;142.24;2.77;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1_C4";;;;;;;4.24;;0.42;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM422961;MM422961;N=c1cnnc2n1CC2N;HDLVIHLCVSHXAV-UHFFFAOYSA-N;137.15;-1.23;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP2_SP2";;;;;;;-1.34;;-4.31;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM422962;MM422962;C#CC1C=C(CCC)OC1;HBYUTWCAKJLVPL-UHFFFAOYSA-N;136.19;1.95;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC4_SN0";;;;;;;2.5;;0.44;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM422963;MM422963;C=CC(=O)C1CC(C#N)C1;VDBZUXHMCOEAFY-UHFFFAOYSA-N;135.17;1.29;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNa_SN0";;;;;;;1.17;;-1.18;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM422964;MM422964;CCC(C#N)=C(C)NC=N;CEESFEJLVWRPRI-UHFFFAOYSA-N;137.19;1.39;;;;;DOPC;MDCG;27;1;"MARTINI bead: C4_P3";;;;;;;0.23;;-3.6;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM422965;MM422965;CC12CCC(=CF)C(C1)C2;UECGAGUCGIDNLB-UHFFFAOYSA-N;140.2;3.05;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC3_SC4";;;;;;;3.9;;0.47;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM422966;MM422966;CCN1CC(F)C=N1;IYQDTIZBJWKELJ-UHFFFAOYSA-N;116.14;0.65;;;;;DOPC;MDCG;27;0;"MARTINI bead: SN0_SP1";;;;;;;0.34;;-1.53;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM422967;MM422967;CCC(C=CCCN)OC;ATAQKKUYWURBFE-UHFFFAOYSA-N;143.23;1.32;;;;;DOPC;MDCG;27;1;"MARTINI bead: Na_Nd";;;;;;;0.87;;-4.64;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM422968;MM422968;C#CC1C=C(CCN)OC1;UBAJVVRDUQIKKN-UHFFFAOYSA-N;137.18;0.5;;;;;DOPC;MDCG;27;1;"MARTINI bead: SP1_SN0";;;;;;;0.34;;-4.22;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM422969;MM422969;N#CC1CC(C(=O)C=O)C1;DAJFJWLJMFEFCQ-UHFFFAOYSA-N;137.14;0.3;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNa_SN0";;;;;;;1.17;;-1.18;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM422970;MM422970;NC12CCC(=CF)C(C1)C2;SHZFIFYDESOBGR-UHFFFAOYSA-N;141.19;1.74;;;;;DOPC;MDCG;27;1;"MARTINI bead: SNd_SC4";;;;;;;2.2;;-2.47;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM422971;MM422971;O=c1cnnc2n1CC2O;NDDPSFIOSRFQRG-UHFFFAOYSA-N;139.11;-1.31;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP2_SP3";;;;;;;-2.2;;-5.19;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM422972;MM422972;C=CC(CN)=C(C)NC=N;IIBYARCAQJDFPV-UHFFFAOYSA-N;139.2;0.6;;;;;DOPC;MDCG;27;1;"MARTINI bead: P3_C5";;;;;;;-0.33;;-5.3;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM422973;MM422973;C#CC1CNC(NCC)=N1;DIEDHPWMUFRNIE-UHFFFAOYSA-N;137.19;-0.44;;;;;DOPC;MDCG;27;1;"MARTINI bead: SNd_SP1";;;;;;;0.04;;-6.07;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM422974;MM422974;CCC(C=CCCO)OC;YEZKBRXPQRHCBE-UHFFFAOYSA-N;144.21;1.35;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4_Nda";;;;;;;2.2;;0.49;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM422975;MM422975;N#CC(=O)C1CC(C#N)C1;MIEGESYVVYLBIF-UHFFFAOYSA-N;134.14;0.63;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNa_SN0";;;;;;;1.17;;-1.18;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM422976;MM422976;CC=C1CCC2(F)CC1C2;DTUULQJGNHARPQ-UHFFFAOYSA-N;140.2;2.84;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC1_SC5";;;;;;;3.68;;0.46;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM422977;MM422977;C=CC(CN)=C(C)NC=O;GYEAQQTVSVBEHI-UHFFFAOYSA-N;140.19;0.15;;;;;DOPC;MDCG;27;1;"MARTINI bead: P3_C5";;;;;;;-0.33;;-3.75;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM422978;MM422978;N=c1cnnc2n1CC2F;KZPQBFTUZZXNSO-UHFFFAOYSA-N;140.12;-0.22;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP2_SP2";;;;;;;-1.34;;-4.31;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM422979;MM422979;C#CC1C=C(CC=C)CC1;CIXASMDDQBPBJG-UHFFFAOYSA-N;132.21;2.53;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC3_SC5";;;;;;;3.34;;0.48;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM422980;MM422980;CCCC=CC(CN)OC;QWPKLQOISOOOHF-UHFFFAOYSA-N;143.23;1.32;;;;;DOPC;MDCG;27;1;"MARTINI bead: C1_P2";;;;;;;1.8;;-0.93;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM422981;MM422981;C=CC(=C)C1CC(C=O)O1;GADSIDOXCDYZCS-UHFFFAOYSA-N;138.17;1.09;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC5_SP1";;;;;;;0.81;;-0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM422982;MM422982;C=CC(CO)=C(C)NC=O;WRWUZKUXAXTEFH-UHFFFAOYSA-N;141.17;0.18;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_Nda";;;;;;;0.04;;-2.73;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM422983;MM422983;CC12CCC(=NN)C(C1)C2;GHJCHKAHLTYDFF-UHFFFAOYSA-N;138.21;1.51;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC3_SC5";;;;;;;3.34;;0.48;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM422984;MM422984;O=c1cnnc2n1CC2F;BWGIZKBIXDXCMD-UHFFFAOYSA-N;141.11;-0.34;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP2_SP3";;;;;;;-2.2;;-5.19;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM422985;MM422985;COC(C=CCCF)CN;JIGXADIFDFOENO-UHFFFAOYSA-N;147.19;0.88;;;;;DOPC;MDCG;27;1;"MARTINI bead: P2_C5";;;;;;;0.54;;-3.11;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM422986;MM422986;C#CC1C=C(CC=O)CC1;RYDFJYZRXCXRBE-UHFFFAOYSA-N;134.18;1.55;;;;;DOPC;MDCG;27;0;"MARTINI bead: SN0_SC5";;;;;;;1.94;;0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM422987;MM422987;C=CC(=C)C1CN(C=N)C1;VFSIRGUFMIXIDL-UHFFFAOYSA-N;136.2;1.27;;;;;DOPC;MDCG;27;1;"MARTINI bead: SN0_SP1";;;;;;;0.34;;-5.43;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM422988;MM422988;CC12CCC(=NO)C(C1)C2;UVRMIECLBZXXHQ-UHFFFAOYSA-N;139.2;2.03;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC3_SC5";;;;;;;3.34;;0.48;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM422989;MM422989;CC(NC=N)=C(C#N)CO;HCCJALIABBSMJX-UHFFFAOYSA-N;139.16;-0.03;;;;;DOPC;MDCG;27;1;"MARTINI bead: P3_Nda";;;;;;;-1.1;;-6.33;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM422990;MM422990;O=C1Cn2c1cncc2=O;NMFPQRGWXWBIOH-UHFFFAOYSA-N;136.11;-0.56;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP3_SP2";;;;;;;-2.2;;-5.19;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM422991;MM422991;COC(C=CCCN)CO;NESSWURXYKBJLL-UHFFFAOYSA-N;145.2;-0.1;;;;;DOPC;MDCG;27;1;"MARTINI bead: P2_Nd";;;;;;;-0.24;;-5.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM422992;MM422992;C#CC1C=C(CC#N)CC1;BQIXCKBMBYBPBR-UHFFFAOYSA-N;131.18;1.87;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC5_SC5";;;;;;;2.41;;0.64;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM422993;MM422993;C=C(C#N)C1CN(C=N)C1;ILYXUPZILHEAKH-UHFFFAOYSA-N;135.17;0.61;;;;;DOPC;MDCG;27;1;"MARTINI bead: SP1_SP1";;;;;;;-0.79;;-7;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM422994;MM422994;COC(C=CCCO)CO;AHXAFFGVWMCEEO-UHFFFAOYSA-N;146.19;-0.07;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_Nda";;;;;;;-0.24;;-3.31;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM422995;MM422995;CC(NC=O)=C(C#N)CO;MBENEGMXSDEPGH-UHFFFAOYSA-N;140.14;-0.48;;;;;DOPC;MDCG;27;0;"MARTINI bead: P3_Nda";;;;;;;-1.1;;-3.97;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM422996;MM422996;O=C1Cc2c1cn[nH]c2=O;FCPBXUOPGXMCOV-UHFFFAOYSA-N;136.11;-0.49;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNa_SP2";;;;;;;-0.24;;-3.24;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM422997;MM422997;NC12CCC(=NO)C(C1)C2;SQBUUKYPEFVECR-UHFFFAOYSA-N;140.19;0.72;;;;;DOPC;MDCG;27;1;"MARTINI bead: SNd_SC5";;;;;;;1.64;;-2.7;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM422998;MM422998;C#CC1C=C(NC=N)CC1;MVZRDPUMAMREBX-UHFFFAOYSA-N;134.18;1.11;;;;;DOPC;MDCG;27;1;"MARTINI bead: SNd_SC5";;;;;;;1.64;;-3.58;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM422999;MM422999;C=CC(=C)C1CN(C=O)C1;BLORFCNOMLWFOT-UHFFFAOYSA-N;137.18;0.82;;;;;DOPC;MDCG;27;0;"MARTINI bead: SN0_SP1";;;;;;;0.34;;-1.53;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM423000;MM423000;COC(C=CCCF)CO;OCAWKTZUNYVSCP-UHFFFAOYSA-N;148.18;0.91;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_C5";;;;;;;0.54;;-1.09;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM423001;MM423001;CC(NC=O)=C(C=O)CF;KQPLNJSAIVJFNB-UHFFFAOYSA-N;145.13;0.17;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda_P2";;;;;;;-0.24;;-3.31;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM423002;MM423002;Nc1n[nH]c(=O)c2c1CC2;IDAZENXZILIHEE-UHFFFAOYSA-N;137.14;-0.55;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP1_SP2";;;;;;;-1.06;;-3.82;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM423003;MM423003;NN=C1CCC2(F)CC1C2;FKXBDFPAWHGQCG-UHFFFAOYSA-N;142.18;1.21;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC5_SC5";;;;;;;2.41;;0.64;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM423004;MM423004;C#CC1C=C(OC=C)CC1;RTVGPHKWOMSKNB-UHFFFAOYSA-N;134.18;2.07;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC4_SC5";;;;;;;2.97;;0.45;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM423005;MM423005;C=C(C#N)C1CN(C=O)C1;IERKGARGLDZRJF-UHFFFAOYSA-N;136.15;0.15;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP1_SP1";;;;;;;-0.79;;-3.13;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM423006;MM423006;CCCC=CC(CF)OC;NRMBJQVEDDXLFT-UHFFFAOYSA-N;146.21;2.33;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1_Na";;;;;;;2.91;;0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM423007;MM423007;N=CNC(N)=C(C=O)CO;ABLOKQKUWNAFIB-UHFFFAOYSA-N;143.15;-1.46;;;;;DOPC;MDCG;27;1;"MARTINI bead: P4_P2";;;;;;;-2.29;;-9.13;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM423008;MM423008;Nc1n[nH]c(=O)c2c1CN2;GIWGBVIICMXZIN-UHFFFAOYSA-N;138.13;-0.72;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP1_SP3";;;;;;;-1.93;;-4.72;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM423009;MM423009;ON=C1CCC2(F)CC1C2;JYXMCRMZLMVOIL-UHFFFAOYSA-N;143.16;1.73;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC5_SC5";;;;;;;2.41;;0.64;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM423010;MM423010;C#CC1C=C(CC=C)CN1;KWMTUSLSINAUAG-UHFFFAOYSA-N;133.19;1.09;;;;;DOPC;MDCG;27;1;"MARTINI bead: SN0_SP1";;;;;;;0.34;;-3.76;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM423011;MM423011;C#CC(=C)C1CC(C=C)C1;WKKVTTQUMDOEAT-UHFFFAOYSA-N;132.21;2.39;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC4_SC4";;;;;;;3.53;;0.53;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM423012;MM423012;CNCC=CC(CO)OC;ZWHBPUCTSRXLHH-UHFFFAOYSA-N;145.2;-0.23;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_P2";;;;;;;-0.24;;-5.49;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM423013;MM423013;NC(NC=O)=C(C=O)CO;FLCPFIWVQCQLTQ-UHFFFAOYSA-N;144.13;-1.91;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_P3";;;;;;;-2.2;;-5.19;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM423014;MM423014;Nc1n[nH]c(=O)c2c1NC2;VBJHRONXKKCJNO-UHFFFAOYSA-N;138.13;-0.72;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP1_SP3";;;;;;;-1.93;;-4.72;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM423015;MM423015;CC=C1CCC2(C)CC1N2;IMCPCDPOOHNQCL-UHFFFAOYSA-N;137.23;1.85;;;;;DOPC;MDCG;27;1;"MARTINI bead: SC1_SNd";;;;;;;2.91;;-0.42;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM423016;MM423016;C#CC1C=C(CC#N)CN1;CMBFBKPLRIJRDM-UHFFFAOYSA-N;132.17;0.43;;;;;DOPC;MDCG;27;1;"MARTINI bead: SP1_SP1";;;;;;;-0.79;;-4.34;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM423017;MM423017;C#CC(=C)C1CC(C=O)C1;SLGYNSXETWWUBC-UHFFFAOYSA-N;134.18;1.4;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC4_SNa";;;;;;;2.2;;0.34;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM423018;MM423018;CCC(C=CCOC)OC;JJJUDWLSIBOCAZ-UHFFFAOYSA-N;144.21;1.61;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4_Na";;;;;;;2.2;;0.34;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM423019;MM423019;N#CC(CF)=C(N)NC=N;XXSSKCVUGVVDLA-UHFFFAOYSA-N;142.14;-0.15;;;;;DOPC;MDCG;27;1;"MARTINI bead: P2_Na";;;;;;;-0.24;;-6.7;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM423020;MM423020;Nc1n[nH]c(=O)c2c1CO2;HFCKHRLFWQEARS-UHFFFAOYSA-N;139.11;-0.76;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP1_SP2";;;;;;;-1.06;;-3.82;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM423021;MM423021;C#CC1C=C(NC=N)CN1;AZSYXNZSQKIZSW-UHFFFAOYSA-N;135.17;-0.33;;;;;DOPC;MDCG;27;1;"MARTINI bead: SP2_SP1";;;;;;;-1.06;;-7.1;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM423022;MM423022;CC12C=CN(C=N)C(C1)C2;MNQPZUXNCIITSQ-UHFFFAOYSA-N;136.2;1.59;;;;;DOPC;MDCG;27;1;"MARTINI bead: SC3_SNd";;;;;;;2.57;;-2.08;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM423023;MM423023;C#CC(=C)C1CC(C#N)C1;HDVOJWSQNZEJLP-UHFFFAOYSA-N;131.18;1.73;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC4_SN0";;;;;;;2.5;;0.44;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM423024;MM423024;CCOC=CC(CC)OC;OAZAPHVPIXMIRU-UHFFFAOYSA-N;144.21;1.96;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_Na";;;;;;;1.64;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM423025;MM423025;C=C(CC)CC1(O)CC1C;LAACYYHOYNGONP-UHFFFAOYSA-N;140.23;2.11;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1_SNda";;;;;;;2.91;;0.57;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM423026;MM423026;Nc1n[nH]c(=O)c2c1OC2;JRYXJTFFOGTUKW-UHFFFAOYSA-N;139.11;-0.76;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP1_SP3";;;;;;;-1.93;;-4.72;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM423027;MM423027;C#CC1C=C(OC=C)CN1;FCEFYXCZWQTADD-UHFFFAOYSA-N;135.17;0.64;;;;;DOPC;MDCG;27;1;"MARTINI bead: SNa_SP1";;;;;;;0.04;;-3.73;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM423028;MM423028;N=CN1C=CC2(O)CC1C2;SABCNSQQUKYEOW-UHFFFAOYSA-N;138.17;0.32;;;;;DOPC;MDCG;27;1;"MARTINI bead: SNda_SNd";;;;;;;0.87;;-4.96;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM423029;MM423029;C#CC(=O)C1CC(C=C)C1;YIYKTBQEPSLVGM-UHFFFAOYSA-N;134.18;1.4;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC4_SNa";;;;;;;2.2;;0.34;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM423030;MM423030;CCOC=CC(CO)OC;YCBWAFAZNJPYRU-UHFFFAOYSA-N;146.19;0.54;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_P2";;;;;;;0.54;;-1.09;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM423031;MM423031;CC(=O)CN(C)C(=N)C=O;FVUOMUWVRGBVGZ-UHFFFAOYSA-N;142.16;-0.32;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_Na";;;;;;;-0.24;;-3.24;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM423032;MM423032;CCCC1CC2C(C)C2C1;RTNHVCRDDGXLPJ-UHFFFAOYSA-N;138.25;3.08;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC1_SC5";;;;;;;3.68;;0.46;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM423033;MM423033;C#CC1C=C(CC=C)CO1;CRBUFMMMPAFODE-UHFFFAOYSA-N;134.18;1.52;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC5_SNa";;;;;;;1.64;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM423034;MM423034;CC12C=NN(C=N)C(C1)C2;DYANAGHFXSUEAE-UHFFFAOYSA-N;137.19;1.06;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC3_SP1";;;;;;;1.74;;0.29;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM423035;MM423035;C#CC(=O)C1CC(C#N)C1;JOCJPNWMPIDIMS-UHFFFAOYSA-N;133.15;0.74;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNa_SN0";;;;;;;1.17;;-1.18;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM423036;MM423036;CCOC=CC(CF)OC;CDWLIVRMAWKINA-UHFFFAOYSA-N;148.18;1.52;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_Na";;;;;;;0.87;;-2.22;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM423037;MM423037;CNCC1CC2C(C)C2C1;KIRSUJPYLZAWOA-UHFFFAOYSA-N;139.24;1.5;;;;;DOPC;MDCG;27;1;"MARTINI bead: SC5_SC5";;;;;;;2.41;;-0.93;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM423038;MM423038;C=CC(OC)=C(C)NC=N;PXYNLGGAMRMLAX-UHFFFAOYSA-N;140.19;1.25;;;;;DOPC;MDCG;27;1;"MARTINI bead: C1_P3";;;;;;;0.94;;-2.22;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM423039;MM423039;C#CC1C=C(CC#N)CO1;DWGSJKPHZZPLCF-UHFFFAOYSA-N;133.15;0.86;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNa_SN0";;;;;;;1.17;;-1.18;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM423040;MM423040;NC12C=NN(C=O)C(C1)C2;LKKAXLLJSWSAPN-UHFFFAOYSA-N;139.16;-0.7;;;;;DOPC;MDCG;27;1;"MARTINI bead: SNd_SP1";;;;;;;0.04;;-3.91;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM423041;MM423041;C#CC1CC(C(=C)CC)C1;XFDUJAYBSVLHEN-UHFFFAOYSA-N;134.22;2.61;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC1_SC5";;;;;;;3.68;;0.46;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM423042;MM423042;CCCC=CC(OC)OC;OSVRJMZINDGZFB-UHFFFAOYSA-N;144.21;1.96;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1_Na";;;;;;;2.91;;0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM423043;MM423043;CCNC1CC2C(C)C2C1;ZNEUGUCVDWBWBT-UHFFFAOYSA-N;139.24;1.64;;;;;DOPC;MDCG;27;1;"MARTINI bead: SC5_SC5";;;;;;;2.41;;-0.94;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM423044;MM423044;C=CC(OC)=C(C)NC=O;MZOKCCRDUUJJID-UHFFFAOYSA-N;141.17;0.8;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1_P3";;;;;;;0.94;;0.03;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM423045;MM423045;C#CC1C=C(NC=N)CO1;FFCHFHYZWIYOTA-UHFFFAOYSA-N;136.15;0.1;;;;;DOPC;MDCG;27;1;"MARTINI bead: SP1_SNa";;;;;;;0.04;;-5.53;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM423046;MM423046;N=CN1N=CC2(F)CC1C2;INBNCWIWFVTYQW-UHFFFAOYSA-N;141.15;0.77;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC5_SP1";;;;;;;0.81;;-0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM423047;MM423047;C#CC1CC(C(=C)CN)C1;YJHMZHTZMMBECD-UHFFFAOYSA-N;135.21;1.16;;;;;DOPC;MDCG;27;1;"MARTINI bead: SC5_SC5";;;;;;;2.41;;0.01;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM423048;MM423048;COC(C=CCCF)OC;GGXMXMYKJMDPKR-UHFFFAOYSA-N;148.18;1.52;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_C5";;;;;;;0.81;;-0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM423049;MM423049;COC(C=O)=C(C)N=CN;IFPSCKNCIZIMAZ-UHFFFAOYSA-N;142.16;0.05;;;;;DOPC;MDCG;27;1;"MARTINI bead: P2_Nda";;;;;;;-0.24;;-4.65;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM423050;MM423050;CCCC1CC2C(C1)N2C;TVFHALWKSNKAIV-UHFFFAOYSA-N;139.24;1.88;;;;;DOPC;MDCG;27;1;"MARTINI bead: SC1_SNd";;;;;;;2.91;;0.43;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM423051;MM423051;C#CC1C=C(OC=C)CO1;OMIJVVVZXTZEQN-UHFFFAOYSA-N;136.15;1.06;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNa_SNa";;;;;;;0.87;;-2.22;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM423052;MM423052;CCOC=CC(OC)OC;NAIJSZRKMLWTBC-UHFFFAOYSA-N;146.19;1.16;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_P1";;;;;;;0.81;;-0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM423053;MM423053;CC12CC(C1)N(C=N)C=N2;MEGAABGOAREDRS-UHFFFAOYSA-N;137.19;0.86;;;;;DOPC;MDCG;27;1;"MARTINI bead: SN0_SP1";;;;;;;0.34;;-2.66;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM423054;MM423054;Cc1nnn(N)c(=NN)n1;MUQWOMZLVXCMHG-UHFFFAOYSA-N;141.14;-2.53;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP2_SP3";;;;;;;-2.2;;-5.19;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM423055;MM423055;COC(C=O)=C(N)NC=O;ZQWZSYUMXBMLCR-UHFFFAOYSA-N;144.13;-1.29;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_P2";;;;;;;-1.34;;-4.31;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM423056;MM423056;C#CC1C=C(CC=C)OC1;XSQZICGJYLXJNV-UHFFFAOYSA-N;134.18;1.73;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC5_SN0";;;;;;;1.94;;0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM423057;MM423057;CC1C2CC(CCN)CN12;FGFVBDVOBCFTFL-UHFFFAOYSA-N;140.23;0.43;;;;;DOPC;MDCG;27;1;"MARTINI bead: SP1_SP1";;;;;;;-0.79;;-5.93;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM423058;MM423058;C#CC1CC(C(=O)CC)C1;WWHYPJRXSLRLPJ-UHFFFAOYSA-N;136.19;1.62;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC5_SC5";;;;;;;2.41;;0.64;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM423059;MM423059;CCNN=CC(CC)CC;RWQKSJYMOVOECJ-UHFFFAOYSA-N;142.25;2.02;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_C1";;;;;;;2.08;;0.48;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM423060;MM423060;C=NN1C=NC2(C)CC1C2;RIBDJOSQYDQWSI-UHFFFAOYSA-N;137.19;0.87;;;;;DOPC;MDCG;27;0;"MARTINI bead: SN0_SP1";;;;;;;0.34;;-1.53;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM423061;MM423061;C=COC(C)=C(C=O)CC;VHZSVGALITXEIF-UHFFFAOYSA-N;140.18;2.03;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4_P1";;;;;;;1.37;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM423062;MM423062;C#CC1C=C(CC#N)OC1;HGNPGDHYUZIMLG-UHFFFAOYSA-N;133.15;1.06;;;;;DOPC;MDCG;27;0;"MARTINI bead: SN0_SNa";;;;;;;1.17;;-1.18;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM423063;MM423063;C=CCC1CC2C(N)C2C1;GYNBHCGVWGEZQE-UHFFFAOYSA-N;137.23;1.55;;;;;DOPC;MDCG;27;1;"MARTINI bead: SP1_SC1";;;;;;;2.08;;-1.04;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM423064;MM423064;C#CC1CC(C(=O)CO)C1;SKOXORNQQRGRDZ-UHFFFAOYSA-N;138.17;0.21;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNda_SC5";;;;;;;1.64;;0.05;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM423065;MM423065;CCNN=CC(CC)CN;DPXKZWPJFSKXKS-UHFFFAOYSA-N;143.23;0.57;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1_C5";;;;;;;0.81;;-2.91;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM423066;MM423066;CC12C=CC(=NN)C(C1)C2;WCEIZGWOTZSEQS-UHFFFAOYSA-N;136.2;1.29;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC3_SNd";;;;;;;2.57;;0.53;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM423067;MM423067;C=CC(CN)=C(C)OC=O;VPTRWETWSLEVSR-UHFFFAOYSA-N;141.17;0.58;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1_N0";;;;;;;0.34;;-3.66;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM423068;MM423068;C#CC1CCC(=NC=C)N1;IMXWDSGQYLKOKV-UHFFFAOYSA-N;134.18;0.91;;;;;DOPC;MDCG;27;1;"MARTINI bead: SNd_SP1";;;;;;;0.04;;-4.94;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM423069;MM423069;Nc1c(F)nnn1N;QZUXENUXIOKDEB-UHFFFAOYSA-N;117.09;-1.29;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP1_SP3";;;;;;;-1.93;;-4.72;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM423070;MM423070;CCNN=CC(CN)CO;AMESORBJFVAKDK-UHFFFAOYSA-N;145.21;-0.85;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1_P2";;;;;;;-1.06;;-5.88;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM423071;MM423071;C#CC1CC(C(=O)CF)C1;LDYSTZOELIWORA-UHFFFAOYSA-N;140.16;1.18;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNa_SC5";;;;;;;1.64;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM423072;MM423072;CN=C(N)C(=O)C(N)=NC;FLPUZZPEQFWQGZ-UHFFFAOYSA-N;142.16;-1.47;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_P2";;;;;;;-1.34;;-4.31;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM423073;MM423073;C#CC1CNC(NC=C)=N1;SEHLJIODRDMBDX-UHFFFAOYSA-N;135.17;-0.32;;;;;DOPC;MDCG;27;1;"MARTINI bead: SP1_SP1";;;;;;;-0.79;;-6.35;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM423074;MM423074;C=COC(C)=C(C#N)CO;YJNZJMISMFFZQY-UHFFFAOYSA-N;139.15;0.94;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_P2";;;;;;;0.54;;-1.09;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM423075;MM423075;CCC1C(C)C1C1(O)CC1;HMUNTVJPKXBDEL-UHFFFAOYSA-N;140.23;1.8;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC3_SP1";;;;;;;1.74;;0.29;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM423076;MM423076;C=CCC1CC2C(F)C2C1;PTKYYDRWTLJXBP-UHFFFAOYSA-N;140.2;2.56;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNa_SC1";;;;;;;2.91;;0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM423077;MM423077;C#CC1CC(C(=N)NC)C1;ADBMVVMFCODJQU-UHFFFAOYSA-N;136.2;0.84;;;;;DOPC;MDCG;27;1;"MARTINI bead: SNd_SC5";;;;;;;1.64;;-5.22;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM423078;MM423078;NC12C=CC(=NO)C(C1)C2;SZLFUGHREOWALE-UHFFFAOYSA-N;138.17;0.49;;;;;DOPC;MDCG;27;1;"MARTINI bead: SNd_SNda";;;;;;;0.87;;-4.32;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM423079;MM423079;N#CCC1CC2C(F)C2C1;ZIIAHYGBCJXABY-UHFFFAOYSA-N;139.17;1.89;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNa_SC4";;;;;;;2.2;;0.34;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM423080;MM423080;CCNN=CC(CF)CF;ULANEXKOMADQAH-UHFFFAOYSA-N;150.17;1.14;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nd_Na";;;;;;;0.87;;-1.88;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM423081;MM423081;C#CCC1=CC(C#C)CC1;IDVUYNFNFWDEAP-UHFFFAOYSA-N;130.19;1.98;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC4_SC5";;;;;;;2.97;;0.45;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM423082;MM423082;C=COC(N)=C(C=O)CO;PNMVEOROPJFUFX-UHFFFAOYSA-N;143.14;-0.49;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_P2";;;;;;;-1.06;;-3.82;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM423083;MM423083;C#CC1CC(C(=N)NN)C1;WGCJWLMEDSOSKN-UHFFFAOYSA-N;137.19;0.09;;;;;DOPC;MDCG;27;1;"MARTINI bead: SNd_SC5";;;;;;;1.64;;-3.61;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM423084;MM423084;CC12CC(C1)C(CF)=NN2;SPFRGDWXRMKLMB-UHFFFAOYSA-N;142.18;1.08;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNd_SNa";;;;;;;0.87;;-1.88;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM423085;MM423085;CCON=CC(CC)CN;GMPZXIRQJIIKQD-UHFFFAOYSA-N;144.22;0.99;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1_C5";;;;;;;0.81;;-2.91;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM423086;MM423086;C=CCN1CC2C(C)C2C1;GATZBBARTZVGCI-UHFFFAOYSA-N;137.23;1.37;;;;;DOPC;MDCG;27;1;"MARTINI bead: SC5_SNd";;;;;;;1.64;;-1.98;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM423087;MM423087;C#CCC1=CC(C#C)NC1;WQRFTVHWYKPUPM-UHFFFAOYSA-N;131.18;0.54;;;;;DOPC;MDCG;27;1;"MARTINI bead: SP1_SP1";;;;;;;-0.79;;-5.29;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM423088;MM423088;N#CC(CO)=C(N)OC=O;IPPNHDDVVDBEDF-UHFFFAOYSA-N;142.11;-1.15;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_P2";;;;;;;-1.06;;-3.82;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM423089;MM423089;C#CC1CC(C(=N)NO)C1;YIZQTJMHERZTEN-UHFFFAOYSA-N;138.17;0.6;;;;;DOPC;MDCG;27;1;"MARTINI bead: SNda_SC5";;;;;;;1.64;;-2.39;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM423090;MM423090;CC12CC(C1)C(CO)=CO2;DUNXKSFTOSHAAZ-UHFFFAOYSA-N;140.18;1.06;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNa_SNda";;;;;;;0.87;;-1.99;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM423091;MM423091;CCC1C(C)N1C(C)C=O;GEHZVQDDNXGSCN-UHFFFAOYSA-N;141.21;1.06;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNd_Na";;;;;;;0.87;;-1.88;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM423092;MM423092;C#CCC1=CC(C#C)OC1;JFULFKMYJDKHFK-UHFFFAOYSA-N;132.16;0.97;;;;;DOPC;MDCG;27;0;"MARTINI bead: SN0_SNa";;;;;;;1.17;;-1.18;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM423093;MM423093;CC1C2CN(CC#N)CC12;VTHUGWWIRVCWKG-UHFFFAOYSA-N;136.2;0.71;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC5_SNd";;;;;;;1.64;;0.03;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM423094;MM423094;C=COC(N)=C(C#N)CF;QEDKIYUHMZAIPU-UHFFFAOYSA-N;142.13;0.81;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda_Na";;;;;;;0.87;;-1.99;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM423095;MM423095;C#CC1CC(C(=O)NC)C1;FQGBKQLQPGFRHJ-UHFFFAOYSA-N;137.18;0.39;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNda_SC5";;;;;;;1.64;;0.05;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM423096;MM423096;CC12CC(C1)C(CF)=CO2;YGQSYVVSOJLCHK-UHFFFAOYSA-N;142.17;2.04;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNa_SNa";;;;;;;0.87;;-2.22;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM423097;MM423097;CCON=CC(CC)CF;VBKXZNIBXLHTSL-UHFFFAOYSA-N;147.19;2;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_C2";;;;;;;2;;0.29;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM423098;MM423098;C#CCC1=CC(C#C)CO1;XYZXONMFHLCVIT-UHFFFAOYSA-N;132.16;1.17;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNa_SN0";;;;;;;1.17;;-1.18;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM423099;MM423099;C=COC(C)=C(C#N)OC;KOXUOBMQWFLEQI-UHFFFAOYSA-N;139.15;1.55;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_C5";;;;;;;0.81;;-0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM423100;MM423100;C=CCN1CC2C(N)C2C1;UGJBVDOPCMACFV-UHFFFAOYSA-N;138.21;0.06;;;;;DOPC;MDCG;27;1;"MARTINI bead: SNd_SP1";;;;;;;0.04;;-5;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM423101;MM423101;C=C(C=O)C(N)=NN=CC;BFNBTATVJAHRRD-UHFFFAOYSA-N;139.16;0.1;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nd_Na";;;;;;;0.87;;-1.88;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM423102;MM423102;C=Cn1oc(F)nc1=NN;BDHMMZJENAEHNL-UHFFFAOYSA-N;144.11;-0.51;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNa_SP2";;;;;;;-0.24;;-3.24;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM423103;MM423103;CCON=CC(CN)CN;YFFYPMMODCERIE-UHFFFAOYSA-N;145.21;-0.46;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1_P2";;;;;;;-1.06;;-6.21;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM423104;MM423104;C#CCC(C)=C(C=O)CF;KVAJJPXEVMEZGF-UHFFFAOYSA-N;140.16;1.49;;;;;DOPC;MDCG;27;0;"MARTINI bead: N0_Na";;;;;;;1.17;;-1.18;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM423105;MM423105;CC=CC1=CC(CC)CC1;UDAQABCCLWECFU-UHFFFAOYSA-N;136.24;3.31;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC2_SC2";;;;;;;4.78;;0.59;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM423106;MM423106;C=CCN1CC2C(F)C2C1;XZNKNLSSZQODHD-UHFFFAOYSA-N;141.19;1.07;;;;;DOPC;MDCG;27;1;"MARTINI bead: SNa_SNd";;;;;;;0.87;;-3.23;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM423107;MM423107;CC12CC(C1)C(CF)=NO2;PJDDZVVAOBPGFM-UHFFFAOYSA-N;143.16;1.51;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNa_SNa";;;;;;;0.87;;-2.22;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM423108;MM423108;CCNN=CC(CC)OC;XYDKWEVMPXUQFU-UHFFFAOYSA-N;144.22;1.01;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nd_Na";;;;;;;0.87;;-1.88;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM423109;MM423109;C#CC1CC(C(=O)NO)C1;PSFHGANPOLDIOX-UHFFFAOYSA-N;139.15;0.15;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP1_SC5";;;;;;;0.81;;-0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM423110;MM423110;CC=CC1=CC(CN)CC1;XHOWHDNHPYCRJQ-UHFFFAOYSA-N;137.23;1.86;;;;;DOPC;MDCG;27;1;"MARTINI bead: SC2_SNd";;;;;;;2.83;;-0.72;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM423111;MM423111;N#CCN1CC2C(F)C2C1;VUBCSWODLMTFII-UHFFFAOYSA-N;140.16;0.41;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNa_SNd";;;;;;;0.87;;-1.88;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM423112;MM423112;C#CCC(N)=C(C=O)CO;ORAIUNUTXOXNET-UHFFFAOYSA-N;139.15;-0.59;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_P2";;;;;;;-1.06;;-3.82;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM423113;MM423113;N#CC=CNC=NOC=O;LTXZLZGVBUIDJH-UHFFFAOYSA-N;139.11;-0.27;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_N0";;;;;;;0.06;;-2.21;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM423114;MM423114;C#CC1CC(C(=C)CC)N1;PWDQDJCBBQGKMZ-UHFFFAOYSA-N;135.21;1.32;;;;;DOPC;MDCG;27;1;"MARTINI bead: SN0_SP2";;;;;;;0.06;;-3.77;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM423115;MM423115;CC12CC(C1)C(C#N)=CN2;DFFKJTXTXGDCAG-UHFFFAOYSA-N;134.18;1.17;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNd_SN0";;;;;;;1.17;;-1.04;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM423116;MM423116;C#CC(=NN)N(C=N)C=O;OPWHGNFOXJDMIO-UHFFFAOYSA-N;138.13;-1.04;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_P2";;;;;;;-1.34;;-4.31;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM423117;MM423117;C#CCC1CC2C(C)C2C1;KAERKNXBSCPOQU-UHFFFAOYSA-N;134.22;2.3;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC2_SC5";;;;;;;3.6;;0.34;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM423118;MM423118;C#CCC(F)=C(C=C)CN;UGGXTRAINJKNLT-UHFFFAOYSA-N;139.17;1.38;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nda_N0";;;;;;;1.17;;-3.25;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM423119;MM423119;C#CC1CC(C(=C)CF)N1;GVFNJJMPCZACGE-UHFFFAOYSA-N;139.17;0.88;;;;;DOPC;MDCG;27;1;"MARTINI bead: SNa_SP2";;;;;;;-0.24;;-4.43;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM423120;MM423120;CCON=CC(CC)OC;FDWHBPVATXOSTQ-UHFFFAOYSA-N;145.2;1.43;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_C4";;;;;;;1.37;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM423121;MM423121;C#CCOC(=O)C(C)=NN;JUTOKNLRQLCEKH-UHFFFAOYSA-N;140.14;-0.5;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_N0";;;;;;;0.34;;-1.53;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM423122;MM423122;C#CCC1CC2C(N)C2C1;KSQDOCUUCHBZNJ-UHFFFAOYSA-N;135.21;0.99;;;;;DOPC;MDCG;27;1;"MARTINI bead: SP1_SC2";;;;;;;2;;-1.28;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM423123;MM423123;CC=CC1=CC(CF)CC1;CXXPAZYXDKRSPY-UHFFFAOYSA-N;140.2;2.87;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC2_SC5";;;;;;;3.6;;0.34;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM423124;MM423124;C#CCC(F)=C(C=O)CO;QQLWEWTXLYSRPA-UHFFFAOYSA-N;142.13;0.42;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_N0";;;;;;;0.34;;-1.53;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM423125;MM423125;CCON=CC(CF)OC;OFVUKGHFCTZPHY-UHFFFAOYSA-N;149.17;0.99;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_Na";;;;;;;0.87;;-2.22;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM423126;MM423126;C#CC1CC(C(=C)CC)O1;BVXBHRPKSPOHOD-UHFFFAOYSA-N;136.19;1.74;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC5_SNa";;;;;;;1.64;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM423127;MM423127;CC12CC(C1)C(C=O)=CO2;DNVVLCCOOKHKBX-UHFFFAOYSA-N;138.17;1.27;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNa_SNa";;;;;;;0.87;;-2.22;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM423128;MM423128;CCC1C=C(C=NN)CC1;BOFFVAIKBKFHLK-UHFFFAOYSA-N;138.21;1.68;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC2_SNd";;;;;;;2.83;;0.62;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM423129;MM423129;C#CCC1CC2C(F)C2C1;ZALLKLSENVCRMG-UHFFFAOYSA-N;138.19;2;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNa_SC2";;;;;;;2.83;;0.35;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM423131;MM423131;C#CCC(F)=C(C#N)CO;OAMACDWVBOUIOR-UHFFFAOYSA-N;139.13;0.75;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_N0";;;;;;;0.34;;-1.53;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM423130;MM423130;CCCN=CN(CC)CC;UQLFKBABEXMBOR-UHFFFAOYSA-N;142.25;1.77;;;;;DOPC;MDCG;27;1;"MARTINI bead: N0_C5";;;;;;;1.94;;-2.17;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM423132;MM423132;C#CC1CC(C(=C)CN)O1;YFQPHBBNBQLHSD-UHFFFAOYSA-N;137.18;0.29;;;;;DOPC;MDCG;27;1;"MARTINI bead: SP1_SNa";;;;;;;0.04;;-4.71;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM423133;MM423133;CC12CC(C1)C(C=O)=NO2;WDKTXXIPMKCSDS-UHFFFAOYSA-N;139.15;0.74;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNa_SNa";;;;;;;0.87;;-2.22;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM423134;MM423134;C#CCN1CC2C(N)C2C1;RKEFGEDKPIBNDT-UHFFFAOYSA-N;136.2;-0.49;;;;;DOPC;MDCG;27;1;"MARTINI bead: SP1_SNd";;;;;;;0.04;;-4.94;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM423135;MM423135;CC=CC1=CC(NC)CC1;DVRDPFZEFLFQSA-UHFFFAOYSA-N;137.23;1.87;;;;;DOPC;MDCG;27;1;"MARTINI bead: SNd_SC2";;;;;;;2.83;;-0.43;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM423136;MM423136;CCN(C=NCCO)CC;LAUSPFVGHPQHMX-UHFFFAOYSA-N;144.22;0.35;;;;;DOPC;MDCG;27;1;"MARTINI bead: C5_P2";;;;;;;0.54;;-3.93;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM423137;MM423137;C#CCC(N)=C(C#N)OC;ZGWGWYGRQISRLX-UHFFFAOYSA-N;136.15;0.35;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_N0";;;;;;;0.34;;-1.53;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM423138;MM423138;C#CC1CN(C(=N)NO)C1;YKUIKFQHBOOEPP-UHFFFAOYSA-N;139.16;-0.54;;;;;DOPC;MDCG;27;1;"MARTINI bead: SP2_SP2";;;;;;;-1.34;;-7.17;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM423139;MM423139;C#CC1=NNC2(C)CC1C2;RCIOIUSDFKNTMZ-UHFFFAOYSA-N;134.18;0.75;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNd_SP1";;;;;;;0.04;;-2.63;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM423140;MM423140;CC#CC1CC2C(C)C2C1;YHBBNUQPQFLXFU-UHFFFAOYSA-N;134.22;2.3;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC2_SC5";;;;;;;3.6;;0.34;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM423141;MM423141;CNC1C=C(C=NN)CC1;WESJECXFTYOERI-UHFFFAOYSA-N;139.2;0.24;;;;;DOPC;MDCG;27;1;"MARTINI bead: SNd_SNd";;;;;;;0.87;;-4.57;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM423142;MM423142;CCN(C=NCCF)CC;RUOCLNUFRNADLG-UHFFFAOYSA-N;146.21;1.33;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_Na";;;;;;;0.87;;-4.61;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM423143;MM423143;C#CC(CC)=C(C)CCC;XDOADIRDWLMCCH-UHFFFAOYSA-N;136.24;3.15;;;;;DOPC;MDCG;27;0;"MARTINI bead: C3_C1";;;;;;;4.61;;0.31;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM423144;MM423144;C#CC1CC(C(=C)C=C)C1;JKPOSFKNAHZXGK-UHFFFAOYSA-N;132.21;2.39;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC2_SC5";;;;;;;3.6;;0.34;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM423145;MM423145;C#CC1=COC2(C)CC1C2;QCJWAQZTHQOUMN-UHFFFAOYSA-N;134.18;1.7;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNa_SN0";;;;;;;1.17;;-1.18;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM423146;MM423146;CCC=C1CC2C(C)C2C1;RJLNAAZQWAOQGR-UHFFFAOYSA-N;136.24;3;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC1_SC5";;;;;;;3.68;;0.46;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM423147;MM423147;CC=CC1=CC(OC)CC1;BVCHDDQNQKHGHY-UHFFFAOYSA-N;138.21;2.3;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNa_SC2";;;;;;;2.83;;0.35;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM423148;MM423148;CCNN=CN(CC)CC;KBTSRMDKVQRMSN-UHFFFAOYSA-N;143.23;0.88;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1_C5";;;;;;;0.81;;-1.77;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM423149;MM423149;C#CC(CC)=C(C)CCN;APZJDYWKOJALCT-UHFFFAOYSA-N;137.23;1.69;;;;;DOPC;MDCG;27;1;"MARTINI bead: C1_P1";;;;;;;2.08;;-1.13;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM423150;MM423150;C#CC1CC(C(=C)C=O)C1;XKNWXCUKBVBSRE-UHFFFAOYSA-N;134.18;1.4;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC5_SC5";;;;;;;2.41;;0.64;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM423151;MM423151;C#CC1=NOC2(C)CC1C2;RVYCQPJDNXZMKN-UHFFFAOYSA-N;135.17;1.17;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNa_SN0";;;;;;;1.17;;-1.18;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM423152;MM423152;CC=CC1=CC(CC)NC1;UIDDEFSVELHXOX-UHFFFAOYSA-N;137.23;1.87;;;;;DOPC;MDCG;27;1;"MARTINI bead: SNd_SN0";;;;;;;1.17;;-4.48;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM423153;MM423153;CCC=C1CC2C(N)C2C1;VSMQWXKYCAMZTO-UHFFFAOYSA-N;137.23;1.69;;;;;DOPC;MDCG;27;1;"MARTINI bead: SC1_SP1";;;;;;;2.08;;-1.02;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM423154;MM423154;CCCN=CN(CC)NC;JLXNMMTZPVBNRB-UHFFFAOYSA-N;143.23;0.88;;;;;DOPC;MDCG;27;1;"MARTINI bead: N0_P1";;;;;;;0.34;;-3.15;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM423155;MM423155;C#CC1CC(C(=C)C#N)C1;HQWYCUVAROBQBU-UHFFFAOYSA-N;131.18;1.73;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC5_SC5";;;;;;;2.41;;0.64;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM423156;MM423156;CCOC(=NN)OC(C)=O;DKHQLWNNHKDLKP-UHFFFAOYSA-N;146.15;-0.18;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_P2";;;;;;;0.54;;-1.09;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM423157;MM423157;C=NNC(C=CF)=NC;AGTTWEXIWQQPCT-UHFFFAOYSA-N;129.14;0.7;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_C5";;;;;;;0.81;;-0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM423158;MM423158;CC=CC1=CC(CN)NC1;PENMVNIAJKYGPV-UHFFFAOYSA-N;138.21;0.42;;;;;DOPC;MDCG;27;1;"MARTINI bead: SN0_SP2";;;;;;;0.06;;-5.09;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM423159;MM423159;CNC1CCC2(C)CC12C;OPNXWFUEPGUHSO-UHFFFAOYSA-N;139.24;1.78;;;;;DOPC;MDCG;27;1;"MARTINI bead: SNd_SC3";;;;;;;2.57;;-1.86;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM423160;MM423160;CCN(C=NCCN)NC;OJSSKIFCYDZNSH-UHFFFAOYSA-N;144.22;-0.57;;;;;DOPC;MDCG;27;1;"MARTINI bead: P2_P2";;;;;;;-1.34;;-5.73;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM423161;MM423161;C#CC1CC(C(=O)C=C)C1;OAZIQJRTLIVWSI-UHFFFAOYSA-N;134.18;1.4;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNa_SC5";;;;;;;1.64;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM423162;MM423162;C#CC(CN)=C(C)CCN;KCBLPEXJOMMKBB-UHFFFAOYSA-N;138.21;0.24;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_P2";;;;;;;-0.24;;-5.94;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM423163;MM423163;CC=CC1=CC(CO)NC1;RHIODPRGQLSGBD-UHFFFAOYSA-N;139.2;0.45;;;;;DOPC;MDCG;27;1;"MARTINI bead: SN0_SP1";;;;;;;0.34;;-4.23;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM423164;MM423164;CCC=C1CC2C(F)C2C1;LPIXYFCOXGAWSI-UHFFFAOYSA-N;140.2;2.7;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC1_SNa";;;;;;;2.91;;0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM423165;MM423165;CCC1NCC2(C)CC12C;DCRSURVVDIRFFZ-UHFFFAOYSA-N;139.24;1.78;;;;;DOPC;MDCG;27;1;"MARTINI bead: SNd_SN0";;;;;;;1.17;;-4.74;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM423166;MM423166;CCON=CN(CC)OC;NXLYFBSYSPJTGJ-UHFFFAOYSA-N;146.19;0.85;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_Na";;;;;;;0.87;;-2.22;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM423167;MM423167;C#CC(CO)=C(C)CCC;ODWGEHJSXYTTAP-UHFFFAOYSA-N;138.21;1.73;;;;;DOPC;MDCG;27;0;"MARTINI bead: C3_Nda";;;;;;;2.57;;0.44;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM423168;MM423168;CC=CC1=CC(CF)NC1;ZSWLSEUGMUZOAV-UHFFFAOYSA-N;141.19;1.43;;;;;DOPC;MDCG;27;1;"MARTINI bead: SN0_SNda";;;;;;;1.17;;-2.88;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM423169;MM423169;C#CC1CC(C(=O)C=O)C1;UNYGHJOAAJCBTN-UHFFFAOYSA-N;136.15;0.41;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNa_SC5";;;;;;;1.64;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM423170;MM423170;CCC1CNC2(C)CC12C;NZKLGJBLJVXJQK-UHFFFAOYSA-N;139.24;1.78;;;;;DOPC;MDCG;27;1;"MARTINI bead: SN0_SNd";;;;;;;1.17;;-4.65;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM423171;MM423171;CN1C2CC(=CCN)CC21;JDOPHQIYWGSSBG-UHFFFAOYSA-N;138.21;0.35;;;;;DOPC;MDCG;27;1;"MARTINI bead: SP1_SNd";;;;;;;0.04;;-4.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM423172;MM423172;CCCC=NN(CC)CC;ALLQIFHTKYQWDX-UHFFFAOYSA-N;142.25;2.11;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1_N0";;;;;;;3.21;;0.46;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM423173;MM423173;C#CC(CO)=C(C)CCO;IFJGXSBDBYEZCD-UHFFFAOYSA-N;140.18;0.31;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_P3";;;;;;;-0.33;;-2.01;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM423174;MM423174;C#CC1CC(C(=O)C#N)C1;OOZAWSSROQCNPF-UHFFFAOYSA-N;133.15;0.74;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNa_SC5";;;;;;;1.64;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM423175;MM423175;CCC1C=C(C=NN)CN1;PRYRRHYAQXMSSV-UHFFFAOYSA-N;139.2;0.24;;;;;DOPC;MDCG;27;1;"MARTINI bead: SNd_SP2";;;;;;;-0.24;;-6.09;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM423176;MM423176;CC12CCC(C#N)C1(C)C2;ZQXNNIYQXQDTTH-UHFFFAOYSA-N;135.21;2.34;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC3_SC5";;;;;;;3.34;;0.48;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM423177;MM423177;C=CC=C1CC2C(C)C2C1;QEICYWJPINVHGJ-UHFFFAOYSA-N;134.22;2.77;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC5_SC2";;;;;;;3.6;;0.34;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM423178;MM423178;CCN(CC)N=CCCN;NBUHYDCRXZVVSC-UHFFFAOYSA-N;143.23;0.66;;;;;DOPC;MDCG;27;1;"MARTINI bead: N0_P1";;;;;;;0.34;;-3.95;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM423179;MM423179;C#CC(CC)=C(F)CCC;MJQIMLSAKHRDFV-UHFFFAOYSA-N;140.2;3.05;;;;;DOPC;MDCG;27;0;"MARTINI bead: C3_C4";;;;;;;3.9;;0.47;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM423180;MM423180;NN=CC1=CC(CF)NC1;ILXTUVFSXMDVCW-UHFFFAOYSA-N;143.17;-0.2;;;;;DOPC;MDCG;27;1;"MARTINI bead: SP2_SNda";;;;;;;-0.24;;-4.57;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM423181;MM423181;C#CC1CC(C(=C)C=C)O1;YFXWSMGOPJWDRZ-UHFFFAOYSA-N;134.18;1.52;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC5_SNa";;;;;;;1.64;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM423182;MM423182;CCC1(N)CN2CC2C1C;XIVAMEPHIXGTJY-UHFFFAOYSA-N;140.23;0.43;;;;;DOPC;MDCG;27;1;"MARTINI bead: SP1_SNd";;;;;;;0.04;;-5.16;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM423183;MM423183;CC1C2CC(=CC=O)CC12;FAWPMSRWNUTTED-UHFFFAOYSA-N;136.19;1.79;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC5_SC5";;;;;;;2.41;;0.64;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM423184;MM423184;CCOC=NN(CC)CC;PSWYTQLCZQHQJR-UHFFFAOYSA-N;144.22;1.31;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_N0";;;;;;;1.17;;-1.18;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM423185;MM423185;C#CC(CC)=C(F)CCN;DOEQEANCXUYVEQ-UHFFFAOYSA-N;141.19;1.6;;;;;DOPC;MDCG;27;1;"MARTINI bead: C4_P1";;;;;;;1.37;;-2.6;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM423186;MM423186;CC=CC1=CC(CC)OC1;DHWZDXWBAFSUAB-UHFFFAOYSA-N;138.21;2.3;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNa_SC5";;;;;;;1.64;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM423187;MM423187;C#CC(=C)C1CC(C#C)C1;LFDZCLNAJBMMNS-UHFFFAOYSA-N;130.19;1.84;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC4_SC5";;;;;;;2.97;;0.45;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM423188;MM423188;C=C1C2NC2CC1(C)NC;MNPOHVCYVAAHFZ-UHFFFAOYSA-N;138.21;0.26;;;;;DOPC;MDCG;27;1;"MARTINI bead: SC5_SP1";;;;;;;0.81;;-2.66;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM423189;MM423189;CC1C2CC(=CC#N)CC12;BTSCRVMSWYVGDD-UHFFFAOYSA-N;133.19;2.11;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC5_SC5";;;;;;;2.41;;0.64;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM423190;MM423190;C=CCC=CC(CC)CC;OMXVFEKRUNTESZ-UHFFFAOYSA-N;138.25;3.55;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1_C2";;;;;;;4.87;;0.53;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM423191;MM423191;C#CC(CO)=C(F)CCC;JJRSKIAZNRGSGO-UHFFFAOYSA-N;142.17;1.64;;;;;DOPC;MDCG;27;0;"MARTINI bead: C3_P1";;;;;;;1.74;;0.29;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM423192;MM423192;C#CC(=O)C1CC(C#C)C1;AGWFKXUQXRJMSP-UHFFFAOYSA-N;132.16;0.85;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNa_SC5";;;;;;;1.64;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM423193;MM423193;CC=CC1=CC(CN)OC1;ZBUNNZYXMSGFMA-UHFFFAOYSA-N;139.2;0.85;;;;;DOPC;MDCG;27;1;"MARTINI bead: SC5_SP1";;;;;;;0.81;;-2.51;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM423194;MM423194;C=CC=C1CC2C(N)C2C1;RMPWEUIPLALCJH-UHFFFAOYSA-N;135.21;1.47;;;;;DOPC;MDCG;27;1;"MARTINI bead: SP1_SC2";;;;;;;2;;-1.26;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM423195;MM423195;CNC1(C)CC2CN2C1=N;HNZOMCJBOIGBGW-UHFFFAOYSA-N;139.2;0.03;;;;;DOPC;MDCG;27;1;"MARTINI bead: SP1_SP1";;;;;;;-0.79;;-5.55;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM423196;MM423196;CCC(C=CCC=O)CC;MGOHGTNZGKUXTD-UHFFFAOYSA-N;140.23;2.57;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1_Na";;;;;;;2.91;;0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM423197;MM423197;C#CC(CC)=C(C)COC;MTBKBTAUQCOCKB-UHFFFAOYSA-N;138.21;1.99;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1_P1";;;;;;;2.08;;0.48;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM423198;MM423198;CC=C(C)C1CC(CC)C1;RDPPCMKUIMRSRD-UHFFFAOYSA-N;138.25;3.39;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC2_SC1";;;;;;;4.87;;0.53;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM423199;MM423199;CC=CC1=CC(CO)OC1;LMVFHKGVYUHTOC-UHFFFAOYSA-N;140.18;0.88;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC5_SP1";;;;;;;0.81;;-0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM423200;MM423200;CCC(=O)CC1CN1C;REOBZLLLHFIMHD-UHFFFAOYSA-N;127.19;0.67;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_SP1";;;;;;;0.04;;-2.54;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM423201;MM423201;CCC(C=CCC#N)CC;XFLPGINDKUXVGZ-UHFFFAOYSA-N;137.23;2.89;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1_N0";;;;;;;3.21;;0.46;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM423202;MM423202;CC=NN=C(C=NN)OC;CMVMZGSMQWNFMW-UHFFFAOYSA-N;142.16;-0.02;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_C5";;;;;;;0.81;;-0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM423203;MM423203;C#CC(CN)=C(C)COC;VOPQMTHODBKTPL-UHFFFAOYSA-N;139.2;0.54;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1_Nd";;;;;;;0.04;;-4.4;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM423204;MM423204;CCC1CC(C(C)=CF)C1;HZXBINIUAYHMIR-UHFFFAOYSA-N;142.22;3.3;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC2_SC4";;;;;;;4.16;;0.44;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM423205;MM423205;CC=CC1=CC(CF)OC1;FAFBHLJPKFDUIL-UHFFFAOYSA-N;142.17;1.86;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC5_SNa";;;;;;;1.64;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM423206;MM423206;C=CCN1CC(F)C=N1;WRAZPZLNKZTDHB-UHFFFAOYSA-N;128.15;0.81;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP1_SN0";;;;;;;0.34;;-1.53;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM423207;MM423207;C=CCC=CC(CC)CN;NSHQJLLXMDLCDM-UHFFFAOYSA-N;139.24;2.1;;;;;DOPC;MDCG;27;1;"MARTINI bead: C5_C3";;;;;;;3.34;;0.35;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM423208;MM423208;C#CC1(C)CC2CN2C1=N;ZSTCWZWVRORTLT-UHFFFAOYSA-N;134.18;0.69;;;;;DOPC;MDCG;27;1;"MARTINI bead: SN0_SP1";;;;;;;0.34;;-3.72;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM423209;MM423209;C#CC(OC)=C(C)CCO;VQLKTFXUNKKHRB-UHFFFAOYSA-N;140.18;0.92;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_Nda";;;;;;;0.87;;-1.99;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM423210;MM423210;CC=C(C)C1CC(CN)C1;BPEIRDLPCLPNBR-UHFFFAOYSA-N;139.24;1.94;;;;;DOPC;MDCG;27;1;"MARTINI bead: SC1_SNd";;;;;;;2.91;;-0.57;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM423211;MM423211;CC=CC1=CC(OC)OC1;RKFFBUMLHAYBSP-UHFFFAOYSA-N;140.18;1.49;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNa_SC5";;;;;;;1.64;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM423212;MM423212;CCC=NN=CC=NNC;YYFZJVDDCCMZAX-UHFFFAOYSA-N;140.19;0.66;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4_P2";;;;;;;1.09;;-0.38;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM423213;MM423213;C=CC=C1CC2C(F)C2C1;SVWAOFWBPIUHBE-UHFFFAOYSA-N;138.19;2.48;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNa_SC2";;;;;;;2.83;;0.35;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM423214;MM423214;CCC1(C)CC1C1CC1C;FKCZBCKEQGIGSM-UHFFFAOYSA-N;138.25;3.08;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC3_SC5";;;;;;;3.34;;0.48;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM423215;MM423215;C#CC(OC)=C(F)COC;VQYXIHIOQCBVCK-UHFFFAOYSA-N;144.15;1.09;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_C5";;;;;;;0.81;;-0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM423216;MM423216;CC=CC1=CC(CC)CO1;JGBHIZUEUVDUEU-UHFFFAOYSA-N;138.21;2.5;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC5_SC5";;;;;;;2.41;;0.64;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM423217;MM423217;CC(=CF)C1CC(CN)C1;DQEISRXITLFSQM-UHFFFAOYSA-N;143.21;1.84;;;;;DOPC;MDCG;27;1;"MARTINI bead: SC4_SNd";;;;;;;2.2;;-2.23;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM423218;MM423218;CCCCC(C)(C)O;KRIMXCDMVRMCTC-UHFFFAOYSA-N;116.2;1.95;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1_Nda";;;;;;;2.91;;0.57;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM423219;MM423219;C=NN=C1CC2C(C)C2C1;TUELYRWHHJVLMJ-UHFFFAOYSA-N;136.2;1.72;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC5_SC5";;;;;;;2.41;;0.64;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM423220;MM423220;CC1CC1C1CC1(C)CN;LHDYQQVYEVLJFN-UHFFFAOYSA-N;139.24;1.63;;;;;DOPC;MDCG;27;1;"MARTINI bead: SC5_SNd";;;;;;;1.64;;-2.39;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM423221;MM423221;C#CC(CC)=C(C)OCC;UGJGBPNJPQMLEO-UHFFFAOYSA-N;138.21;2.34;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_C1";;;;;;;2.08;;0.48;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM423222;MM423222;N=Cn1oc(F)nc1=NN;WRRGWXMZFMKSCT-UHFFFAOYSA-N;145.1;-1.16;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNa_SP2";;;;;;;-0.24;;-3.24;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM423223;MM423223;CC=CC1=CC(CN)CO1;UNYJVNILCAWYKM-UHFFFAOYSA-N;139.2;1.05;;;;;DOPC;MDCG;27;1;"MARTINI bead: SC5_SP1";;;;;;;0.81;;-3.18;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM423224;MM423224;CC1C2CC(=CC#N)NC12;VONMYAGMKFUGNJ-UHFFFAOYSA-N;134.18;1.02;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC5_SNd";;;;;;;1.64;;0.02;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM423225;MM423225;CCC(C=CCC=O)CF;URLPDOUKLRLIAB-UHFFFAOYSA-N;144.19;2.13;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4_Na";;;;;;;2.2;;0.34;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM423226;MM423226;C#CC(C#C)NN=CCF;QSDLKXXRCIDCDN-UHFFFAOYSA-N;138.15;0.17;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_N0";;;;;;;0.34;;-1.53;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM423227;MM423227;C#CC(CO)=C(C)OCC;YEUVZAJRPUKEQA-UHFFFAOYSA-N;140.18;0.92;;;;;DOPC;MDCG;27;0;"MARTINI bead: C3_P3";;;;;;;0.6;;-0.8;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM423228;MM423228;CCN(C=O)C(=NN)OC;SHMZVDRUNVELQA-UHFFFAOYSA-N;145.16;-0.66;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_P3";;;;;;;-0.33;;-2.01;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM423229;MM423229;C=CCC=CC(CN)CF;UEMQRKPUESLHNN-UHFFFAOYSA-N;143.21;1.66;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1_C2";;;;;;;2;;-1.31;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM423230;MM423230;CC=CC1=CC(CO)CO1;VAFGJRYOZDZYMR-UHFFFAOYSA-N;140.18;1.09;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC5_SP1";;;;;;;0.81;;-0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM423231;MM423231;CC1CC1C1CC1(C)CF;XVGMHGOUWAVBLP-UHFFFAOYSA-N;142.22;2.64;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC5_SC5";;;;;;;2.41;;0.64;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM423232;MM423232;O=CC=C1CC2C(F)C2N1;HYASMYOGOBZJDJ-UHFFFAOYSA-N;141.15;0.4;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNa_SNda";;;;;;;0.87;;-1.99;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM423233;MM423233;C#CC(OC)=C(C)OCC;RZZZHKDKHYFEJC-UHFFFAOYSA-N;140.18;1.53;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_C4";;;;;;;1.37;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM423234;MM423234;CC=C(C)C1CC(CF)C1;PGBRQVGRLVCQQT-UHFFFAOYSA-N;142.22;2.95;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC1_SC5";;;;;;;3.68;;0.46;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM423235;MM423235;C=CCC=CC(CO)CO;BAGMRMKCKORTRS-UHFFFAOYSA-N;142.2;0.72;;;;;DOPC;MDCG;27;0;"MARTINI bead: P3_C2";;;;;;;0.86;;-0.3;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM423236;MM423236;CC=CC1=CC(CF)CO1;KAJBBAGNYAFEDS-UHFFFAOYSA-N;142.17;2.06;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC5_SNa";;;;;;;1.64;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM423237;MM423237;N#CC=C1CC2C(F)C2N1;OVVCVVUWDRVPQM-UHFFFAOYSA-N;138.15;0.72;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNa_SNd";;;;;;;0.87;;-1.88;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM423238;MM423238;CC1(CN)CC1C1CC1N;FDVFZCLRXBCQQU-UHFFFAOYSA-N;140.23;0.32;;;;;DOPC;MDCG;27;1;"MARTINI bead: SNd_SP1";;;;;;;0.04;;-5.49;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM423239;MM423239;C#CC(CC)=C(F)CC=C;YVFAMHPYSHEMKV-UHFFFAOYSA-N;138.19;2.83;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4_C4";;;;;;;3.53;;0.53;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM423240;MM423240;CC=C(F)C1CC(CN)C1;VAPXZXZWKHIOPV-UHFFFAOYSA-N;143.21;1.84;;;;;DOPC;MDCG;27;1;"MARTINI bead: SC2_SNd";;;;;;;2.83;;-0.76;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM423241;MM423241;O=CCC=CC(CF)CF;AYQAHCBBJVZXIY-UHFFFAOYSA-N;148.15;1.69;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_Na";;;;;;;0.87;;-2.22;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM423242;MM423242;CC1(CO)CC1C1CC1N;CQCAQKHKWSIQID-UHFFFAOYSA-N;141.21;0.35;;;;;DOPC;MDCG;27;1;"MARTINI bead: SNda_SP1";;;;;;;0.04;;-5.34;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM423243;MM423243;CC=CC1=CC(NC)CO1;WQJSGVUVXUPPJW-UHFFFAOYSA-N;139.2;1.06;;;;;DOPC;MDCG;27;1;"MARTINI bead: SP1_SC5";;;;;;;0.81;;-1.99;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM423244;MM423244;CC1C2CC(=CC#N)OC12;SAJCDUKRVXIXMH-UHFFFAOYSA-N;135.17;1.45;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNa_SC5";;;;;;;1.64;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM423245;MM423245;C#CC(CO)=C(F)CC=O;CDOUAPIPQBHXMG-UHFFFAOYSA-N;142.13;0.42;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_Na";;;;;;;0.04;;-2.54;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM423246;MM423246;CCC(C=CNC=N)CF;OKUYYSDIPBRJLC-UHFFFAOYSA-N;144.19;1.69;;;;;DOPC;MDCG;27;1;"MARTINI bead: C4_P2";;;;;;;1.09;;-4.32;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM423247;MM423247;CC=C(F)C1CC(CF)C1;RKRRSUSCSBDUIB-UHFFFAOYSA-N;146.18;2.86;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC2_SC5";;;;;;;3.6;;0.34;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM423248;MM423248;CC1(CN)CC1C1CC1O;RCOJQLUFKHGBHM-UHFFFAOYSA-N;141.21;0.35;;;;;DOPC;MDCG;27;1;"MARTINI bead: SNd_SP1";;;;;;;0.04;;-5.12;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM423249;MM423249;CC=CC1=CC(OC)CO1;CIKOWUQPVARHDV-UHFFFAOYSA-N;140.18;1.49;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNa_SC5";;;;;;;1.64;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM423250;MM423250;C=CC=C1CC2C(F)C2O1;LVQCUADTQIBVOA-UHFFFAOYSA-N;140.16;1.81;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNa_SC5";;;;;;;1.64;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM423251;MM423251;C#CC(OC)=C(C)CC#N;OBEVCNGAXUPBDT-UHFFFAOYSA-N;135.17;1.45;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4_P1";;;;;;;1.37;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM423252;MM423252;CCC(C=CNC=O)CF;UNSGNMWXHYOKNE-UHFFFAOYSA-N;145.18;1.24;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4_P2";;;;;;;1.09;;-0.38;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM423253;MM423253;CCC1CC(C(C)=NN)C1;JMMYOBKQVUDWSZ-UHFFFAOYSA-N;140.23;1.76;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC2_SC5";;;;;;;3.6;;0.34;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM423254;MM423254;CC=CC1=NC(CO)CN1;AGXXBFGBTJCMLW-UHFFFAOYSA-N;140.19;-0.07;;;;;DOPC;MDCG;27;1;"MARTINI bead: SNd_SP2";;;;;;;-0.24;;-5.21;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM423255;MM423255;CC1(CN)CC1C1CC1F;BSLLVJRCLAITJU-UHFFFAOYSA-N;143.21;1.33;;;;;DOPC;MDCG;27;1;"MARTINI bead: SNd_SNa";;;;;;;0.87;;-4.38;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM423256;MM423256;N#CC=C1CC2C(F)C2O1;JYKXXZBALBVQCT-UHFFFAOYSA-N;139.13;1.15;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNa_SNa";;;;;;;0.87;;-2.22;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM423257;MM423257;C#CC(OC)=C(F)CC#N;QHYKBWAZYLOZCL-UHFFFAOYSA-N;139.13;1.36;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_P1";;;;;;;0.81;;-0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM423258;MM423258;N=CNC=CC(CN)CN;BXAZAGOIOXZJMD-UHFFFAOYSA-N;142.21;-0.77;;;;;DOPC;MDCG;27;1;"MARTINI bead: P2_P3";;;;;;;-2.2;;-8.92;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM423259;MM423259;CCN(NC)C(=O)C=NN;WEFKZMULFSXBMB-UHFFFAOYSA-N;144.18;-1.09;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_P1";;;;;;;-1.06;;-3.82;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM423260;MM423260;CCC1CC(C(C)=NO)C1;WFAQAJSEOZFQMR-UHFFFAOYSA-N;141.21;2.27;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC2_SNda";;;;;;;2.83;;0.57;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM423261;MM423261;NC=CC1=NC(CF)CN1;NITINVPRXVKUFL-UHFFFAOYSA-N;143.17;-0.2;;;;;DOPC;MDCG;27;1;"MARTINI bead: SP1_SP2";;;;;;;-1.06;;-5.46;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM423262;MM423262;CC#CCC(C#N)=CN;LUHGIJWJYGPWKX-UHFFFAOYSA-N;120.16;0.77;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4_P1";;;;;;;1.37;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM423263;MM423263;C#CC(CC)=C(C)NC=N;PZMCKFIDLPQFNT-UHFFFAOYSA-N;136.2;1.5;;;;;DOPC;MDCG;27;1;"MARTINI bead: C1_P3";;;;;;;0.94;;-2.78;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM423264;MM423264;NCC(C=CNC=O)CN;BRXWWVSLLYJLAU-UHFFFAOYSA-N;143.19;-1.22;;;;;DOPC;MDCG;27;1;"MARTINI bead: P2_P3";;;;;;;-2.2;;-7.58;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM423265;MM423265;CC(=NO)C1CC(CN)C1;OVPGVYPCKGGINU-UHFFFAOYSA-N;142.2;0.82;;;;;DOPC;MDCG;27;1;"MARTINI bead: SNda_SNd";;;;;;;0.87;;-4.57;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM423266;MM423266;CCC1(N)CC1C1CC1C;KZGKRSIBRUREJS-UHFFFAOYSA-N;139.24;1.77;;;;;DOPC;MDCG;27;1;"MARTINI bead: SNd_SC5";;;;;;;1.64;;-2.8;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM423267;MM423267;N#CC=C1NC2C(F)C2N1;VNASAZFOYCSNGE-UHFFFAOYSA-N;139.13;-0.37;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNa_SP1";;;;;;;0.04;;-2.54;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM423268;MM423268;CC=CC1=NN(CC)CC1;YSMBEKXQVQCYLW-UHFFFAOYSA-N;138.21;1.64;;;;;DOPC;MDCG;27;0;"MARTINI bead: SN0_SN0";;;;;;;1.47;;-0.05;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM423269;MM423269;C#CC(CC)=C(C)NC=O;JDBDQUMPYHIQMB-UHFFFAOYSA-N;137.18;1.05;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1_P3";;;;;;;0.94;;0.03;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM423270;MM423270;N=CNC=CC(CN)CO;RIZCGQRPDKRXMB-UHFFFAOYSA-N;143.19;-0.74;;;;;DOPC;MDCG;27;1;"MARTINI bead: P2_P3";;;;;;;-2.2;;-8.91;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM423271;MM423271;C=CNC(=N)N(C=O)C=O;MWIDVPOYZILPBU-UHFFFAOYSA-N;141.13;-0.73;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_P4";;;;;;;-2.01;;-5.13;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM423272;MM423272;CC1CC1C1CC1(N)CN;QFLXCOWXEVVRQF-UHFFFAOYSA-N;140.23;0.32;;;;;DOPC;MDCG;27;1;"MARTINI bead: SC5_SP2";;;;;;;0.54;;-3.44;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM423273;MM423273;C=CC1C=C(C=CC)CC1;FIBZBFHGCNQUBG-UHFFFAOYSA-N;134.22;3.08;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC2_SC4";;;;;;;4.16;;0.44;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM423274;MM423274;C=CC=C1CC2C(C1)N2C;HWOBFGMFQSXTKL-UHFFFAOYSA-N;135.21;1.58;;;;;DOPC;MDCG;27;1;"MARTINI bead: SP1_SC2";;;;;;;2;;0.03;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM423275;MM423275;C#CC(OC)=C(C)NC=N;KFPXFXYHUSECMB-UHFFFAOYSA-N;138.17;0.69;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1_Nda";;;;;;;0.04;;-4.74;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM423276;MM423276;CC1CC1C1CC1(N)CO;OWWNBZRMXJCIOF-UHFFFAOYSA-N;141.21;0.35;;;;;DOPC;MDCG;27;1;"MARTINI bead: SC5_SP2";;;;;;;0.54;;-3.37;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM423277;MM423277;CC(=NN)C1CC(CF)C1;COJSFKOFHUPJBZ-UHFFFAOYSA-N;144.19;1.32;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC5_SC5";;;;;;;2.41;;0.64;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM423278;MM423278;NCC(C=CNC=O)CO;YOFFCSIVDQXCJW-UHFFFAOYSA-N;144.17;-1.19;;;;;DOPC;MDCG;27;1;"MARTINI bead: P2_P3";;;;;;;-2.2;;-7.27;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM423279;MM423279;CN1C2CC(=CC#N)CC21;ZFPACWZKZXKBMP-UHFFFAOYSA-N;134.18;0.91;;;;;DOPC;MDCG;27;1;"MARTINI bead: SP1_SC5";;;;;;;0.81;;-1.6;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM423280;MM423280;CC=CC1=CC(C=O)CC1;KLHZJLIQLNYCEK-UHFFFAOYSA-N;136.19;2.1;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC2_SNa";;;;;;;2.83;;0.35;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM423281;MM423281;CCC1(N)CC1C1CC1N;UAFPGJXJZGHQCR-UHFFFAOYSA-N;140.23;0.46;;;;;DOPC;MDCG;27;1;"MARTINI bead: SNd_SP1";;;;;;;0.04;;-5.71;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM423282;MM423282;C#CC(OC)=C(C)NC=O;LKEWTWBVXGUUOB-UHFFFAOYSA-N;139.15;0.24;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_P1";;;;;;;0.04;;-2.54;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM423283;MM423283;N=CNC=CC(CN)CF;OPZFNROHDMMSHV-UHFFFAOYSA-N;145.18;0.24;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nda_P3";;;;;;;-1.1;;-7.7;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM423284;MM423284;CC=CC1=CC(C#N)CC1;VJEBWRCDQYPFKQ-UHFFFAOYSA-N;133.19;2.42;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC2_SN0";;;;;;;3.13;;0.3;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM423285;MM423285;CC1C2CC(=CC#N)CN12;VWHYTHSAMZMXFO-UHFFFAOYSA-N;134.18;0.91;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP1_SP1";;;;;;;-0.79;;-3.13;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM423286;MM423286;CC(=NO)C1CC(CF)C1;RBYPLHXMQOCSAI-UHFFFAOYSA-N;145.18;1.83;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNda_SC5";;;;;;;1.64;;0.05;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM423287;MM423287;C#CC(CC)=C(C)OC=C;ACUPRKUXMLRWBD-UHFFFAOYSA-N;136.19;2.46;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1_P1";;;;;;;2.08;;0.48;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM423288;MM423288;NCC1(N)CC1C1CC1N;JHDLYPZGYYZIDA-UHFFFAOYSA-N;141.22;-0.99;;;;;DOPC;MDCG;27;1;"MARTINI bead: SP2_SP1";;;;;;;-1.06;;-6.62;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM423290;MM423290;C=CC1C=C(C=NN)CC1;BNUFIWLRRPWTOW-UHFFFAOYSA-N;136.2;1.45;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNd_SC4";;;;;;;2.2;;0.32;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM423289;MM423289;NCC(C=CNC=O)CF;KQRPXOGIRCJTQT-UHFFFAOYSA-N;146.17;-0.21;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nda_P3";;;;;;;-1.1;;-6.33;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM423291;MM423291;CC=C(C)C1CC(NC)C1;DTTDQYULTDBMPC-UHFFFAOYSA-N;139.24;1.95;;;;;DOPC;MDCG;27;1;"MARTINI bead: SNd_SC1";;;;;;;2.91;;-0.72;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM423292;MM423292;C#CC=C1CC2C(C)C2C1;UGIRNRJJSZMPTO-UHFFFAOYSA-N;132.21;2.22;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC4_SC5";;;;;;;2.97;;0.45;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM423293;MM423293;C#CC(CC)=C(C)OC=O;IREVDNRXVLWIJC-UHFFFAOYSA-N;138.17;1.48;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1_P1";;;;;;;2.08;;0.48;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM423294;MM423294;NC1CC1C1CC1(N)CO;WOSKCIHIJVMBRF-UHFFFAOYSA-N;142.2;-0.96;;;;;DOPC;MDCG;27;1;"MARTINI bead: SP1_SP2";;;;;;;-1.06;;-6.59;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM423295;MM423295;C=CC1C=C(C=CC)CN1;UDVZUYVOXNUMPL-UHFFFAOYSA-N;135.21;1.65;;;;;DOPC;MDCG;27;1;"MARTINI bead: SN0_SNd";;;;;;;1.17;;-3.68;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM423296;MM423296;N=CNC=CC(CO)CO;VETWAYJAVPEHPH-UHFFFAOYSA-N;144.17;-0.7;;;;;DOPC;MDCG;27;1;"MARTINI bead: P2_P3";;;;;;;-2.2;;-8.91;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM423298;MM423298;C#CC=C1CC2C(N)C2C1;YVSHOTYFRLAMBV-UHFFFAOYSA-N;133.19;0.91;;;;;DOPC;MDCG;27;1;"MARTINI bead: SP1_SC4";;;;;;;1.37;;-2.58;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM423297;MM423297;CNC1CC(C(C)=NN)C1;BYRPNNGSOSOLQZ-UHFFFAOYSA-N;141.22;0.32;;;;;DOPC;MDCG;27;1;"MARTINI bead: SNd_SC5";;;;;;;1.64;;-2.86;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM423299;MM423299;C#CC(CO)=C(C)OC=C;AHJGQYDWJCCROF-UHFFFAOYSA-N;138.17;1.05;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_P1";;;;;;;0.81;;-0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM423300;MM423300;CC=CC1=CC(C=O)NC1;OQUCTEJUHPSNBI-UHFFFAOYSA-N;137.18;0.66;;;;;DOPC;MDCG;27;1;"MARTINI bead: SN0_SP2";;;;;;;0.06;;-3.57;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM423301;MM423301;CCC1(N)CC1C1CC1O;NEISNXZRQMEXJX-UHFFFAOYSA-N;141.21;0.49;;;;;DOPC;MDCG;27;1;"MARTINI bead: SNd_SP1";;;;;;;0.04;;-5.24;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM423302;MM423302;O=CNC=CC(CO)CO;BOKKCXTWGSEMLK-UHFFFAOYSA-N;145.16;-1.15;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_P3";;;;;;;-2.2;;-5.19;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM423303;MM423303;CNC1CC(C(C)=NO)C1;QXUOEDANMOZFNQ-UHFFFAOYSA-N;142.2;0.83;;;;;DOPC;MDCG;27;1;"MARTINI bead: SNd_SNda";;;;;;;0.87;;-5.84;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM423304;MM423304;C=NNC=NCC#CC;HRUJFGLKPHNBAN-UHFFFAOYSA-N;123.16;0.24;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4_P2";;;;;;;1.09;;-0.38;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM423305;MM423305;C#CC(OC)=C(C)OC=C;XPNFDWUZCQTNEM-UHFFFAOYSA-N;138.17;1.66;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4_P1";;;;;;;1.37;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM423306;MM423306;CCC1(N)CC1C1CC1F;YFHAWZOCCGXVIY-UHFFFAOYSA-N;143.21;1.47;;;;;DOPC;MDCG;27;1;"MARTINI bead: SNd_SNa";;;;;;;0.87;;-4.79;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM423307;MM423307;C=COC=CC(CC)CC;JWOFLMOXGZXORF-UHFFFAOYSA-N;140.23;3.1;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1_Na";;;;;;;2.91;;0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM423308;MM423308;CC=CC1=CC(C#N)NC1;WDDQYNSXYFUTFD-UHFFFAOYSA-N;134.18;0.98;;;;;DOPC;MDCG;27;0;"MARTINI bead: SN0_SP1";;;;;;;0.34;;-1.53;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM423309;MM423309;CC=C(C)C1CC(OC)C1;RJVCRXILFJIQAH-UHFFFAOYSA-N;140.23;2.38;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNa_SC1";;;;;;;2.91;;0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM423310;MM423310;C#CC=C1CC2C(F)C2C1;GDVULUOYJDHTMO-UHFFFAOYSA-N;136.17;1.92;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNa_SC4";;;;;;;2.2;;0.34;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM423311;MM423311;C#CC(OC)=C(C)OC=O;PNEAXTYYQPIWMD-UHFFFAOYSA-N;140.14;0.67;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_Na";;;;;;;0.87;;-2.22;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM423312;MM423312;NCC1(N)CC1C1CC1F;LBPXQQOCOAHGQA-UHFFFAOYSA-N;144.19;0.02;;;;;DOPC;MDCG;27;1;"MARTINI bead: SP2_SNa";;;;;;;-0.24;;-5.59;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM423313;MM423313;C=CC1C=C(C=CC)CO1;OKSWOWULSBVZRT-UHFFFAOYSA-N;136.19;2.07;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC5_SNa";;;;;;;1.64;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM423314;MM423314;CCC(C=COC=O)CC;GUDBLRYYUOFCNK-UHFFFAOYSA-N;142.2;2.11;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1_P1";;;;;;;2.08;;0.48;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM423315;MM423315;COC1CC(C(C)=CF)C1;IBKRPANOAHKZQK-UHFFFAOYSA-N;144.19;2.28;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNa_SC4";;;;;;;2.2;;0.34;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM423316;MM423316;C#CC=C1CC2C(C)C2O1;BDWSCXIEOJTCKR-UHFFFAOYSA-N;134.18;1.56;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNa_SC5";;;;;;;1.64;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM423317;MM423317;C#CCC(F)=C(C#C)CC;BTZTURSRGVKVMC-UHFFFAOYSA-N;136.17;2.28;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4_N0";;;;;;;2.5;;0.44;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM423318;MM423318;NC1(CO)CC1C1CC1F;AZQAMPXJLAISCO-UHFFFAOYSA-N;145.18;0.05;;;;;DOPC;MDCG;27;1;"MARTINI bead: SP2_SNa";;;;;;;-0.24;;-5.51;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM423319;MM423319;CC=CC1=CC(C=O)OC1;YKAPZHKAUQXBDA-UHFFFAOYSA-N;138.17;1.09;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC5_SP1";;;;;;;0.81;;-0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM423320;MM423320;C=COC=CC(CC)CN;KMQFDLBPHVQYOD-UHFFFAOYSA-N;141.21;1.65;;;;;DOPC;MDCG;27;1;"MARTINI bead: C5_Na";;;;;;;1.64;;-2.7;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM423321;MM423321;COC1CC(C(C)=NN)C1;FTMMOKMRTNGCAV-UHFFFAOYSA-N;142.2;0.75;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNa_SC5";;;;;;;1.64;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM423322;MM423322;C#CC=C1CC2C(F)C2O1;GNPRSGIPWYIGOV-UHFFFAOYSA-N;138.14;1.26;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNa_SNa";;;;;;;0.87;;-2.22;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM423323;MM423323;C#CCC(F)=C(C#C)OC;QBQAGWIRDZETOX-UHFFFAOYSA-N;138.14;1.47;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_N0";;;;;;;1.94;;0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM423324;MM423324;CNN(C=O)C(=O)C=NN;PFCRARWDTVKFKI-UHFFFAOYSA-N;144.13;-1.95;;;;;DOPC;MDCG;27;0;"MARTINI bead: P3_P1";;;;;;;-1.93;;-4.72;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM423325;MM423325;CC=CC1=CC(C#N)OC1;HXFFYBCKOXEYHP-UHFFFAOYSA-N;135.17;1.41;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC5_SNa";;;;;;;1.64;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM423326;MM423326;CCC(C=COC=O)CN;AXTQFHHPIWWHFO-UHFFFAOYSA-N;143.19;0.66;;;;;DOPC;MDCG;27;1;"MARTINI bead: C5_P1";;;;;;;0.81;;-3.25;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM423327;MM423327;COC1CC(C(C)=NO)C1;ARBUSDFBXJAEPL-UHFFFAOYSA-N;143.19;1.26;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNa_SNda";;;;;;;0.87;;-1.99;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM423328;MM423328;C=CC(C=C)=C(C)CCC;XAFXEKQBJNAPAD-UHFFFAOYSA-N;136.24;3.48;;;;;DOPC;MDCG;27;0;"MARTINI bead: C3_C1";;;;;;;4.61;;0.31;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM423329;MM423329;C#CC=C1CC2C(C1)N2C;PSTFMWLVEJOZRT-UHFFFAOYSA-N;133.19;1.02;;;;;DOPC;MDCG;27;1;"MARTINI bead: SP1_SC4";;;;;;;1.37;;-1.14;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM423330;MM423330;CC1CC1C1CC1(O)CO;ZGRZUJJDWLHEPP-UHFFFAOYSA-N;142.2;0.39;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC5_SP2";;;;;;;0.54;;-1.09;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM423331;MM423331;C=CC1C=C(C=CC)OC1;BICVESBQHYGCCQ-UHFFFAOYSA-N;136.19;2.28;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC5_SC5";;;;;;;2.41;;0.64;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM423332;MM423332;C=COC=CC(CC)CO;SGFIMLCHMMNBBT-UHFFFAOYSA-N;142.2;1.68;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda_C5";;;;;;;1.64;;0.05;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM423333;MM423333;CCN1CC(C(C)=NN)C1;UJLFFJPOYWISEV-UHFFFAOYSA-N;141.22;0.27;;;;;DOPC;MDCG;27;1;"MARTINI bead: SNd_SP2";;;;;;;-0.24;;-4.18;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM423334;MM423334;C=CC(C#N)=C(C)CCC;DUUJXRSDWDZYCF-UHFFFAOYSA-N;135.21;2.81;;;;;DOPC;MDCG;27;0;"MARTINI bead: C3_C4";;;;;;;3.9;;0.47;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM423335;MM423335;CCCC1=CC2C(C)C2C1;ZLUWMDHUYBPFIU-UHFFFAOYSA-N;136.24;3;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC1_SC5";;;;;;;3.68;;0.46;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM423336;MM423336;NCC1(O)CC1C1CC1N;FJJKOUZDCGDSCD-UHFFFAOYSA-N;142.2;-0.96;;;;;DOPC;MDCG;27;1;"MARTINI bead: SP2_SP1";;;;;;;-1.06;;-6.39;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM423337;MM423337;CC=CC1=CC(C=O)CO1;QBOXPCZRPLYASB-UHFFFAOYSA-N;138.17;1.29;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC5_SNa";;;;;;;1.64;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM423338;MM423338;C=COC=CC(CC)CF;BSPDYYFZSZDQKN-UHFFFAOYSA-N;144.19;2.66;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4_C5";;;;;;;2.97;;0.45;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM423339;MM423339;NC1CC1C1CC1(O)CO;IIAYUXNIFJNEJY-UHFFFAOYSA-N;143.19;-0.92;;;;;DOPC;MDCG;27;1;"MARTINI bead: SP1_SP2";;;;;;;-1.06;;-6.15;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM423340;MM423340;C=CC(C#N)=C(C)CCO;FEERQQWXWHCQOV-UHFFFAOYSA-N;137.18;1.39;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_C4";;;;;;;1.37;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM423341;MM423341;CC1C2C=C(CCN)CC12;HHFSLTXLNSREJY-UHFFFAOYSA-N;137.23;1.55;;;;;DOPC;MDCG;27;1;"MARTINI bead: SNd_SC5";;;;;;;1.64;;-2.66;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM423342;MM423342;C=CC1CC(C(C)=CC)C1;JGDAXEHZMBSXMD-UHFFFAOYSA-N;136.24;3.16;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC1_SC4";;;;;;;4.24;;0.42;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM423343;MM423343;CC=CC1=CC(C#N)CO1;VVJZNOMNCWLQCA-UHFFFAOYSA-N;135.17;1.62;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC5_SN0";;;;;;;1.94;;0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM423344;MM423344;CCC(C=COC=O)CF;QJCNZMASONURGE-UHFFFAOYSA-N;146.16;1.67;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4_Na";;;;;;;2.2;;0.34;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM423345;MM423345;CCCC1=CC2C(N)C2C1;MZWPXMWJYUFKFB-UHFFFAOYSA-N;137.23;1.69;;;;;DOPC;MDCG;27;1;"MARTINI bead: SC1_SP1";;;;;;;2.08;;-0.98;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM423346;MM423346;C=CC=NNC(C)=CC=O;VSYRPIDSXMBLNX-UHFFFAOYSA-N;138.17;0.85;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_Nd";;;;;;;0.87;;-1.88;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM423347;MM423347;CCC1(O)CC1C1CC1O;LXFOQWMAJJECCI-UHFFFAOYSA-N;142.2;0.53;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNda_SP1";;;;;;;0.04;;-2.73;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM423348;MM423348;C=CC1CNC(C=CN)=N1;NUFGWPCAIJXNKM-UHFFFAOYSA-N;137.19;0.02;;;;;DOPC;MDCG;27;1;"MARTINI bead: SP1_SP1";;;;;;;-0.79;;-4.94;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM423349;MM423349;C=CC1CC(C(C)=CF)C1;YSNYECXECHNFLD-UHFFFAOYSA-N;140.2;3.07;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC4_SC4";;;;;;;3.53;;0.53;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM423350;MM423350;C=COC=CC(CN)CN;GOCSSGQVNAAJGR-UHFFFAOYSA-N;142.2;0.19;;;;;DOPC;MDCG;27;1;"MARTINI bead: P3_C5";;;;;;;-0.33;;-4.68;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM423351;MM423351;CC=CC1=CN(C=N)CC1;KHLYKGHJCHSYIX-UHFFFAOYSA-N;136.2;1.76;;;;;DOPC;MDCG;27;1;"MARTINI bead: SN0_SP1";;;;;;;0.34;;-4.84;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM423352;MM423352;CC(CCO)=C(C#N)C=O;VBEDKFWBBYCAEE-UHFFFAOYSA-N;139.15;0.41;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda_P2";;;;;;;-0.24;;-3.31;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM423353;MM423353;NN=CC#CCC1CO1;XULWBINSRLMVFB-UHFFFAOYSA-N;124.14;-0.28;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_SNa";;;;;;;0.04;;-2.54;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM423355;MM423355;NCC1(O)CC1C1CC1O;JQYLKXKBGFYGHC-UHFFFAOYSA-N;143.19;-0.92;;;;;DOPC;MDCG;27;1;"MARTINI bead: SP2_SP1";;;;;;;-1.06;;-6.04;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM423354;MM423354;CC=C(C)C1CC(C#N)C1;IXUGRDLLNCWGBX-UHFFFAOYSA-N;135.21;2.5;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC1_SN0";;;;;;;3.21;;0.46;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM423356;MM423356;NCC(C=COC=O)CN;UBDLCZGDJMIBGF-UHFFFAOYSA-N;144.17;-0.79;;;;;DOPC;MDCG;27;1;"MARTINI bead: P2_P1";;;;;;;-1.06;;-6.53;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM423357;MM423357;CC=CC1=CN(C=O)CC1;VEBRDKKDUIUBHK-UHFFFAOYSA-N;137.18;1.31;;;;;DOPC;MDCG;27;0;"MARTINI bead: SN0_SP1";;;;;;;0.34;;-1.53;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM423358;MM423358;CCCC1=NC2C(N)C2N1;FTIICARYLVRWIG-UHFFFAOYSA-N;139.2;-0.13;;;;;DOPC;MDCG;27;1;"MARTINI bead: SC5_SP3";;;;;;;-0.33;;-3.77;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM423359;MM423359;C=CC(C#N)=C(N)CCF;OWTIPOZFNZQTOF-UHFFFAOYSA-N;140.16;1.27;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_Nd";;;;;;;1.64;;0.02;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM423360;MM423360;OCC1(O)CC1C1CC1O;ZBVHUNMQBLQNRY-UHFFFAOYSA-N;144.17;-0.89;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP2_SP1";;;;;;;-1.06;;-3.82;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM423361;MM423361;CC(=CF)C1CC(C=O)C1;IFOAZUPAQYDYBW-UHFFFAOYSA-N;142.17;2.08;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC4_SNa";;;;;;;2.2;;0.34;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM423362;MM423362;C=COC=CC(CN)CF;YLPNXWRKSKZEGV-UHFFFAOYSA-N;145.18;1.2;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1_C5";;;;;;;0.81;;-3.17;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM423363;MM423363;N=CN1C=C(C=NN)CC1;BNPOSLMOBZQGMC-UHFFFAOYSA-N;138.17;0.13;;;;;DOPC;MDCG;27;1;"MARTINI bead: SP1_SP1";;;;;;;-0.79;;-6.15;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM423364;MM423364;CCCC1=CC2C(C)C2O1;BLUKNBOZPBBEII-UHFFFAOYSA-N;138.21;2.34;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC4_SN0";;;;;;;2.5;;0.44;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM423365;MM423365;N#CC(C=O)=C(N)CCO;DLPVBCQXDCNGTN-UHFFFAOYSA-N;140.14;-0.7;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_P2";;;;;;;-1.06;;-3.82;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM423366;MM423366;CCC1(O)CC1C1CC1F;AAYUPIAYAZUHSU-UHFFFAOYSA-N;144.19;1.51;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNda_SNa";;;;;;;0.87;;-1.99;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM423367;MM423367;C=COC=CC(CO)CF;DXRXTPZJINYNCC-UHFFFAOYSA-N;146.16;1.24;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda_Na";;;;;;;0.87;;-1.99;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM423368;MM423368;C=CC1CC(C(F)=CC)C1;XVJHPSFCMNHLDL-UHFFFAOYSA-N;140.2;3.07;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC2_SC4";;;;;;;4.16;;0.44;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM423369;MM423369;CCCC1=CC2C(N)C2O1;MZMACVYZKKEPIP-UHFFFAOYSA-N;139.2;1.03;;;;;DOPC;MDCG;27;1;"MARTINI bead: SC4_SP1";;;;;;;1.37;;-1.74;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM423370;MM423370;NN=CC1=CN(C=O)CC1;CDKPBBYNCWLKSV-UHFFFAOYSA-N;139.16;-0.32;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP1_SP1";;;;;;;-0.79;;-3.13;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM423371;MM423371;CC#CC(C)C(O)C(C)C;YHZXHOWLBXUXGS-UHFFFAOYSA-N;140.23;1.66;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda_C3";;;;;;;2.57;;0.44;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM423372;MM423372;NCC1(O)CC1C1CC1F;VNGFCPOULOEXID-UHFFFAOYSA-N;145.18;0.05;;;;;DOPC;MDCG;27;1;"MARTINI bead: SP2_SNa";;;;;;;-0.24;;-5.46;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM423373;MM423373;CC=C(F)C1CC(C#N)C1;LPYOIUILYHHOSN-UHFFFAOYSA-N;139.17;2.41;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC2_SN0";;;;;;;3.13;;0.3;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM423374;MM423374;O=COC=CC(CF)CF;VQIZNYDXZNTWFD-UHFFFAOYSA-N;150.12;1.23;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_Na";;;;;;;0.87;;-2.22;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM423375;MM423375;C=CCC1=CC2C(C)C2C1;DGPAWELKZQEGDG-UHFFFAOYSA-N;134.22;2.77;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC3_SC5";;;;;;;3.34;;0.48;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM423376;MM423376;CC=CC1=CN(C=N)NC1;UXNGNVIWIGTSEZ-UHFFFAOYSA-N;137.19;0.87;;;;;DOPC;MDCG;27;1;"MARTINI bead: SP1_SP3";;;;;;;-1.93;;-6.82;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM423377;MM423377;N#CC(C=O)=C(N)CCF;CTIMYIWDQQJSSR-UHFFFAOYSA-N;142.13;0.28;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda_P2";;;;;;;-0.24;;-3.31;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM423378;MM423378;OCC1(O)CC1C1CC1F;OCZSBXASXKJOCQ-UHFFFAOYSA-N;146.16;0.09;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP2_SNa";;;;;;;-0.24;;-3.24;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM423379;MM423379;C=CCC=CC(CC)NC;WPIYCNXMRLLJRH-UHFFFAOYSA-N;139.24;2.12;;;;;DOPC;MDCG;27;1;"MARTINI bead: C5_C3";;;;;;;3.34;;0.47;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM423380;MM423380;C=CC1CC(C(C)=NN)C1;JIBNDOFPEDZDCQ-UHFFFAOYSA-N;138.21;1.53;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC5_SC4";;;;;;;2.97;;0.45;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM423381;MM423381;CC1C2C=C(CC=O)CC12;LKZMDEWTIJRLHK-UHFFFAOYSA-N;136.19;1.79;;;;;DOPC;MDCG;27;0;"MARTINI bead: SN0_SC5";;;;;;;1.94;;0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM423382;MM423382;CC=CC1=CN(C=O)NC1;CGSYROQAILDBAO-UHFFFAOYSA-N;138.17;0.42;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP1_SP2";;;;;;;-1.06;;-3.82;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM423383;MM423383;CCC1(F)CC1C1CC1C;FKBFHTNNEPKNEQ-UHFFFAOYSA-N;142.22;2.78;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC5_SC5";;;;;;;2.41;;0.64;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM423384;MM423384;C=CC(C=C)=C(F)CCN;SAGPNAGQPOSSGV-UHFFFAOYSA-N;141.19;1.93;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1_C1";;;;;;;2.08;;-1.05;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM423385;MM423385;CCC(C=CCC#N)NC;PNWJOQBNGUMRNE-UHFFFAOYSA-N;138.21;1.45;;;;;DOPC;MDCG;27;1;"MARTINI bead: C5_P1";;;;;;;0.81;;-3.01;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM423386;MM423386;C=CC1CC(C(C)=NO)C1;QXURHTJUWGFZNS-UHFFFAOYSA-N;139.2;2.05;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNda_SC4";;;;;;;2.2;;0.49;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM423387;MM423387;CC1C2C=C(CC#N)CC12;HCXOJBDUYSOQPE-UHFFFAOYSA-N;133.19;2.11;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC5_SC5";;;;;;;2.41;;0.64;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM423388;MM423388;N=CN1C=C(C=NN)CN1;YUIPXRQGCNIIEV-UHFFFAOYSA-N;139.16;-0.76;;;;;DOPC;MDCG;27;1;"MARTINI bead: SP3_SP3";;;;;;;-3.07;;-7.96;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM423389;MM423389;CC1CC1C1CC1(F)CN;BMKWIEKYVAXRRU-UHFFFAOYSA-N;143.21;1.33;;;;;DOPC;MDCG;27;1;"MARTINI bead: SC5_SP1";;;;;;;0.81;;-2.05;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM423390;MM423390;CC(=NO)C1CC(C=O)C1;ZESZNLLEHYLUFB-UHFFFAOYSA-N;141.17;1.06;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNda_SNa";;;;;;;0.87;;-1.99;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM423391;MM423391;C=CC(C#N)=C(F)CCC;MLFOTVFFFASSQJ-UHFFFAOYSA-N;139.17;2.72;;;;;DOPC;MDCG;27;0;"MARTINI bead: C3_C4";;;;;;;3.9;;0.47;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM423392;MM423392;C=CCC=CC(CN)NC;QLCFFIIAELLYFV-UHFFFAOYSA-N;140.23;0.67;;;;;DOPC;MDCG;27;1;"MARTINI bead: P3_C2";;;;;;;0.86;;-2.39;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM423393;MM423393;C=CCC1=CC2C(N)C2C1;LJRZFKRCJZQCMD-UHFFFAOYSA-N;135.21;1.47;;;;;DOPC;MDCG;27;1;"MARTINI bead: SP1_SC3";;;;;;;1.74;;-1.92;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM423394;MM423394;CC=CC1=CN(C=O)OC1;ALRBAHLRAIJHQI-UHFFFAOYSA-N;139.15;0.85;;;;;DOPC;MDCG;27;0;"MARTINI bead: SN0_SP2";;;;;;;0.06;;-2.21;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM423395;MM423395;CC1CC1C1CC1(F)CF;DPJWHVLEXMRGGC-UHFFFAOYSA-N;146.18;2.34;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC5_SNa";;;;;;;1.64;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM423396;MM423396;CC(=NO)C1CC(C#N)C1;RCCOGRFGSBRENS-UHFFFAOYSA-N;138.17;1.39;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNda_SN0";;;;;;;1.17;;-1.13;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM423397;MM423397;C=CC(C=C)=C(C)COC;SLWHKTYAZPRSAW-UHFFFAOYSA-N;138.21;2.32;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_C1";;;;;;;2.08;;0.48;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM423398;MM423398;CNC(C=CCC=O)CO;LKEIZSNHTDJVJN-UHFFFAOYSA-N;143.19;-0.29;;;;;DOPC;MDCG;27;1;"MARTINI bead: P2_Na";;;;;;;-0.24;;-4.92;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM423399;MM423399;O=CN1C2CC(=O)CC21;CJSSOADGUDXLBV-UHFFFAOYSA-N;125.13;-0.44;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP2_SNa";;;;;;;-0.24;;-3.24;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM423400;MM423400;NN=CC1=CN(C=O)OC1;REUWEVXNHQLAHG-UHFFFAOYSA-N;141.13;-0.78;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP2_SP2";;;;;;;-1.34;;-4.31;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM423401;MM423401;CCC1(F)CC1C1CC1N;XWTDWLJCCOROKC-UHFFFAOYSA-N;143.21;1.47;;;;;DOPC;MDCG;27;1;"MARTINI bead: SC5_SP1";;;;;;;0.81;;-3.11;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM423402;MM423402;C#CC1CC(C(C)=CC)C1;IDHNXRSVPMJADD-UHFFFAOYSA-N;134.22;2.61;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC1_SC5";;;;;;;3.68;;0.46;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM423403;MM423403;CCC(C=CNC=N)NC;IGQLDMVVZGHRSM-UHFFFAOYSA-N;141.22;0.69;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_P2";;;;;;;-0.24;;-7.05;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM423404;MM423404;C=CC(C#N)=C(C)COC;LJEZUZHXOZYYRH-UHFFFAOYSA-N;137.18;1.66;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_C4";;;;;;;1.37;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM423405;MM423405;C=CCC1=CC2C(F)C2C1;CLZNGWTZGLNCPJ-UHFFFAOYSA-N;138.19;2.48;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNa_SC3";;;;;;;2.57;;0.45;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM423406;MM423406;NC1CC1C1CC1(F)CO;ATBAVYMAZWXGFC-UHFFFAOYSA-N;145.18;0.05;;;;;DOPC;MDCG;27;1;"MARTINI bead: SP1_SNda";;;;;;;0.04;;-5.34;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM423407;MM423407;C#CC1CC(C(C)=CF)C1;LXJUWVGTOXJREZ-UHFFFAOYSA-N;138.19;2.52;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC4_SC5";;;;;;;2.97;;0.45;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM423408;MM423408;CC=CC1=NN(C=N)CC1;KVRUCCCDBMJRFX-UHFFFAOYSA-N;137.19;1.23;;;;;DOPC;MDCG;27;0;"MARTINI bead: SN0_SP2";;;;;;;0.06;;-2.21;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM423409;MM423409;CNC(C=CNC=N)CN;WULDXHHRWTVILP-UHFFFAOYSA-N;142.21;-0.76;;;;;DOPC;MDCG;27;1;"MARTINI bead: P2_P3";;;;;;;-2.2;;-8.85;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM423410;MM423410;COCC(C)=C(C#N)C#N;ODZUXFKTZUGZDP-UHFFFAOYSA-N;136.15;1;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_N0";;;;;;;0.34;;-1.53;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM423411;MM423411;N#CCC1=CC2C(F)C2C1;FQUVZERJGAPHGW-UHFFFAOYSA-N;137.16;1.81;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNa_SC5";;;;;;;1.64;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM423412;MM423412;NC1CC1C1CC1(F)CF;SPHRKMJYQDDMHS-UHFFFAOYSA-N;147.17;1.03;;;;;DOPC;MDCG;27;1;"MARTINI bead: SP1_SNa";;;;;;;0.04;;-5.16;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM423413;MM423413;C#CC1CC(C(F)=CC)C1;ZSGYIRFMARPLCD-UHFFFAOYSA-N;138.19;2.52;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC2_SC5";;;;;;;3.6;;0.34;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM423414;MM423414;N=CC=C1CCN(C=N)N1;BOVXSGGWSOAACA-UHFFFAOYSA-N;138.17;0.34;;;;;DOPC;MDCG;27;1;"MARTINI bead: SP2_SP3";;;;;;;-2.2;;-7.05;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM423415;MM423415;CNC(C=CNC=O)CN;UDRFJPCXYLCONO-UHFFFAOYSA-N;143.19;-1.21;;;;;DOPC;MDCG;27;1;"MARTINI bead: P2_P3";;;;;;;-2.2;;-7.14;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM423416;MM423416;C=CC(C#N)=C(N)COC;SURHTWOPPIVPLC-UHFFFAOYSA-N;138.17;0.56;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_N0";;;;;;;0.34;;-1.53;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM423417;MM423417;CC1C2C=C(NC=N)CC12;IIVGAPXQOXLEGJ-UHFFFAOYSA-N;136.2;1.35;;;;;DOPC;MDCG;27;1;"MARTINI bead: SC5_SNd";;;;;;;1.64;;-3.68;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM423418;MM423418;CCC1(F)CC1C1CC1O;CKKQXWGDDGJRPG-UHFFFAOYSA-N;144.19;1.51;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC5_SP1";;;;;;;0.81;;-0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM423419;MM423419;CC=CC1=NN(C=O)CC1;IGDUONICDQDTTQ-UHFFFAOYSA-N;138.17;0.78;;;;;DOPC;MDCG;27;0;"MARTINI bead: SN0_SP2";;;;;;;0.06;;-2.21;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM423420;MM423420;CNC(C=CNC=O)CO;FRZCVKOZYRWTKP-UHFFFAOYSA-N;144.17;-1.17;;;;;DOPC;MDCG;27;1;"MARTINI bead: P2_P2";;;;;;;-1.34;;-5.83;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM423421;MM423421;C#CC1CC(C(C)=NN)C1;TWARFTUOYXAYNW-UHFFFAOYSA-N;136.2;0.98;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC5_SC5";;;;;;;2.41;;0.64;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM423422;MM423422;COCC(N)=C(C=O)C=O;NCPZOFCTJUYANZ-UHFFFAOYSA-N;143.14;-0.76;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_Na";;;;;;;-0.24;;-3.24;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM423423;MM423423;C=COC1=CC2C(F)C2C1;FTQAQPIJECGBQC-UHFFFAOYSA-N;140.16;2.02;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNa_SC4";;;;;;;2.2;;0.34;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM423424;MM423424;NCC1(F)CC1C1CC1O;YIQHGMWUZNAHBY-UHFFFAOYSA-N;145.18;0.05;;;;;DOPC;MDCG;27;1;"MARTINI bead: SP1_SP1";;;;;;;-0.79;;-4.69;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM423425;MM423425;NC=CC1=NN(C=O)CC1;VHKJRXCKXGRJCS-UHFFFAOYSA-N;139.16;-0.32;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP2_SP2";;;;;;;-1.34;;-4.31;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM423426;MM423426;C=COC=CC(CC)NC;BWYNPAUUINZVLU-UHFFFAOYSA-N;141.21;1.66;;;;;DOPC;MDCG;27;1;"MARTINI bead: C5_Na";;;;;;;1.64;;-2.24;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM423427;MM423427;C#CC1CC(C(C)=NO)C1;AQCDDLZCFICHFY-UHFFFAOYSA-N;137.18;1.5;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNda_SC5";;;;;;;1.64;;0.05;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM423428;MM423428;COCC(N)=C(C#N)C=O;ILPGXSLBUPGVMZ-UHFFFAOYSA-N;140.14;-0.43;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_Na";;;;;;;-0.24;;-3.24;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM423429;MM423429;C=CN=C1CC2C(F)C2N1;XOWNZWHMIXUUAU-UHFFFAOYSA-N;140.16;0.86;;;;;DOPC;MDCG;27;1;"MARTINI bead: SNa_SNd";;;;;;;0.87;;-4.79;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM423430;MM423430;OCC1(F)CC1C1CC1O;CZFIRHSZPSQYBO-UHFFFAOYSA-N;146.16;0.09;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNda_SP1";;;;;;;0.04;;-2.73;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM423431;MM423431;C#CC1C=C(C=CC)CC1;AZBWRADSRBDMHR-UHFFFAOYSA-N;132.21;2.53;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC2_SC5";;;;;;;3.6;;0.34;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM423432;MM423432;CC1C(N)C(C)C1CCN;JLJSOBAIXBETGJ-UHFFFAOYSA-N;142.25;0.56;;;;;DOPC;MDCG;27;1;"MARTINI bead: SNd_SC5";;;;;;;1.64;;-3.04;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM423433;MM423433;CCC(C=COC=O)NC;AMCPGRULBSMEPS-UHFFFAOYSA-N;143.19;0.67;;;;;DOPC;MDCG;27;1;"MARTINI bead: C5_P1";;;;;;;0.81;;-2.79;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM423434;MM423434;C=CC(C=C)=C(F)COC;OVLZEMBDCVUFOT-UHFFFAOYSA-N;142.17;2.23;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_C1";;;;;;;2.08;;0.48;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM423435;MM423435;C=CCC1=NC2C(C)C2N1;AZBQUCRYGAWIKZ-UHFFFAOYSA-N;136.2;0.95;;;;;DOPC;MDCG;27;1;"MARTINI bead: SNd_SC5";;;;;;;1.64;;-1.94;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM423436;MM423436;CCC1(F)CC1C1CC1F;KOFQIWBSDOSVBX-UHFFFAOYSA-N;146.18;2.48;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC5_SNa";;;;;;;1.64;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM423437;MM423437;C#CC1C=C(C=NN)CC1;SCUSQRNLVRRSOJ-UHFFFAOYSA-N;134.18;0.9;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNd_SC5";;;;;;;1.64;;0.02;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM423438;MM423438;CNC(C=COC=O)CN;SYLXSPJBURAXAD-UHFFFAOYSA-N;144.17;-0.78;;;;;DOPC;MDCG;27;1;"MARTINI bead: P2_P1";;;;;;;-1.06;;-5.96;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM423439;MM423439;CCCC1C(C)C(N)C1O;PDYAGTPOVVSUAV-UHFFFAOYSA-N;143.23;0.74;;;;;DOPC;MDCG;27;1;"MARTINI bead: SC1_SP1";;;;;;;2.08;;-0.68;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM423440;MM423440;C=CC(C#N)=C(F)COC;CFCRFAAYRPYSAP-UHFFFAOYSA-N;141.15;1.57;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_C4";;;;;;;1.37;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM423441;MM423441;C=CCC1=NC2C(N)C2N1;LSJUIUIXJBDXTQ-UHFFFAOYSA-N;137.19;-0.36;;;;;DOPC;MDCG;27;1;"MARTINI bead: SP1_SNd";;;;;;;0.04;;-4.01;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM423442;MM423442;NCC1(F)CC1C1CC1F;WPAYKYHDENYKJR-UHFFFAOYSA-N;147.17;1.03;;;;;DOPC;MDCG;27;1;"MARTINI bead: SP1_SNa";;;;;;;0.04;;-4.09;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM423443;MM423443;C=CCC=CC(CC)OC;DCFYJYOTALOZGG-UHFFFAOYSA-N;140.23;2.54;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4_C3";;;;;;;3.9;;0.47;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM423444;MM423444;C#CC1C=C(C=CC)CN1;AHKHVTHFBUGAGS-UHFFFAOYSA-N;133.19;1.09;;;;;DOPC;MDCG;27;1;"MARTINI bead: SN0_SP1";;;;;;;0.34;;-3.62;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM423445;MM423445;CNCC1C(C)C(C)C1F;KEGXBFYNPMXDAL-UHFFFAOYSA-N;145.22;1.45;;;;;DOPC;MDCG;27;1;"MARTINI bead: SNd_SC5";;;;;;;1.64;;-2.76;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM423446;MM423446;C=CC(C#N)=C(C)NCC;XZMCNDVVCCVPDF-UHFFFAOYSA-N;136.2;1.58;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_C4";;;;;;;1.37;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM423447;MM423447;CNC1(C)CC1C1CC1O;OOPNRYVSLYHUPW-UHFFFAOYSA-N;141.21;0.37;;;;;DOPC;MDCG;27;1;"MARTINI bead: SNd_SP1";;;;;;;0.04;;-5.2;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM423448;MM423448;CC1C2C=C(CC#N)OC12;WFKRXAKZECEPQT-UHFFFAOYSA-N;135.17;1.45;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC5_SNa";;;;;;;1.64;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM423449;MM423449;C=CCC=CC(CO)OC;QZKZKUCBKPBWQP-UHFFFAOYSA-N;142.2;1.13;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_C2";;;;;;;1.72;;0.27;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM423450;MM423450;C#CC1C=C(C=NN)CN1;UYFNQMWREACJBQ-UHFFFAOYSA-N;135.17;-0.54;;;;;DOPC;MDCG;27;1;"MARTINI bead: SP2_SP1";;;;;;;-1.06;;-5.41;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM423451;MM423451;CCNC(C)=C(C#N)C#N;IVCMSVMYPDPYCR-UHFFFAOYSA-N;135.17;0.92;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_P1";;;;;;;0.81;;-0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM423452;MM423452;CNCC1C(N)C(C)C1N;VDYFTNPPXWQJFJ-UHFFFAOYSA-N;143.23;-0.87;;;;;DOPC;MDCG;27;1;"MARTINI bead: SNd_SP2";;;;;;;-0.24;;-5.92;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM423453;MM423453;CNC1(C)CC1C1CC1F;QLPYIYAXQZBNME-UHFFFAOYSA-N;143.21;1.34;;;;;DOPC;MDCG;27;1;"MARTINI bead: SNd_SNa";;;;;;;0.87;;-4.75;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM423454;MM423454;C=CCC1=CC2C(O)C2O1;AFPOCBXVYOQSTG-UHFFFAOYSA-N;138.17;0.84;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP1_SC5";;;;;;;0.81;;-0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM423455;MM423455;CCC(C=CNC=N)OC;IFNAJTJPMILXNY-UHFFFAOYSA-N;142.2;1.12;;;;;DOPC;MDCG;27;1;"MARTINI bead: C5_P1";;;;;;;0.81;;-4.32;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM423456;MM423456;C=CC(C#N)=C(N)NCC;MMYHGNPAPSAKJJ-UHFFFAOYSA-N;137.19;0.48;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_P1";;;;;;;0.81;;-0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM423457;MM423457;C#CC1C=C(C=CC)CO1;CTMAAOBMALJCJN-UHFFFAOYSA-N;134.18;1.52;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC5_SNa";;;;;;;1.64;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM423458;MM423458;CNCC1C(C)N(C)C1C;IDKKGTGGRBFHHR-UHFFFAOYSA-N;142.25;0.54;;;;;DOPC;MDCG;27;1;"MARTINI bead: SP2_SNd";;;;;;;-0.24;;-5.97;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM423459;MM423459;COC1(C)CC1C1CC1C;ZEHYJIFTNPCMOY-UHFFFAOYSA-N;140.23;2.07;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNa_SC5";;;;;;;1.64;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM423460;MM423460;N#CCC1=CC2C(O)C2O1;HPZUYEASCGWISG-UHFFFAOYSA-N;137.14;0.17;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP1_SNa";;;;;;;0.04;;-2.54;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM423461;MM423461;CCC(C=CNC=O)OC;YNBMGVXLMYUKLW-UHFFFAOYSA-N;143.19;0.67;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_P1";;;;;;;0.81;;-0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM423462;MM423462;C#CC1C=C(C=CC)OC1;VOEQGYMOGYMPIB-UHFFFAOYSA-N;134.18;1.73;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC5_SN0";;;;;;;1.94;;0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM423463;MM423463;CCNC(N)=C(C=O)C=O;YPHZARZGTXGHFU-UHFFFAOYSA-N;142.16;-0.84;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda_P2";;;;;;;-0.24;;-3.31;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM423464;MM423464;CCCC1C(C)C(C)N1C;NYKSMEVHOYZXFM-UHFFFAOYSA-N;141.26;2.13;;;;;DOPC;MDCG;27;1;"MARTINI bead: SN0_SNd";;;;;;;1.17;;-3.57;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM423465;MM423465;COC1(C)CC1C1CC1N;YKIZYDUPSYLTCN-UHFFFAOYSA-N;141.21;0.76;;;;;DOPC;MDCG;27;1;"MARTINI bead: SNa_SP1";;;;;;;0.04;;-5.16;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM423466;MM423466;C=COC1=NN2C(C)C2C1;RBUXGCXTZLIDHA-UHFFFAOYSA-N;138.17;0.94;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNa_SP1";;;;;;;0.04;;-2.54;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM423467;MM423467;COC(C=CNC=N)CO;ZXWCBIAEMFXTHN-UHFFFAOYSA-N;144.17;-0.3;;;;;DOPC;MDCG;27;1;"MARTINI bead: P2_P2";;;;;;;-1.34;;-8.08;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM423468;MM423468;CC#CC1=CC(CC)CC1;USYQEUZKTJHIDO-UHFFFAOYSA-N;134.22;2.76;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC2_SC3";;;;;;;4.53;;0.32;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM423469;MM423469;CC1C(O)C(CC#N)C1O;XDGFCOVJNRGHKO-UHFFFAOYSA-N;141.17;-0.11;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP1_SC5";;;;;;;0.81;;-0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM423470;MM423470;CCNC(N)=C(C#N)C=O;LDUOIAAHTLSWAR-UHFFFAOYSA-N;139.16;-0.51;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nd_P2";;;;;;;-0.24;;-3.16;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM423471;MM423471;COC1(C)CC1C1CC1O;YEEBARBDLOQLKP-UHFFFAOYSA-N;142.2;0.79;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNa_SP1";;;;;;;0.04;;-2.54;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM423472;MM423472;CC1C2C=C(NC=N)CN12;XSAYMPPICTWCBI-UHFFFAOYSA-N;137.19;0.15;;;;;DOPC;MDCG;27;1;"MARTINI bead: SP2_SNd";;;;;;;-0.24;;-6.53;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM423473;MM423473;COC(C=CNC=O)CO;XVLFUBLUKJRBNR-UHFFFAOYSA-N;145.16;-0.75;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_P2";;;;;;;-1.34;;-4.31;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM423474;MM423474;CC#CC1=CC(CN)CC1;IEMYNCWJPARTFU-UHFFFAOYSA-N;135.21;1.3;;;;;DOPC;MDCG;27;1;"MARTINI bead: SC3_SNd";;;;;;;2.57;;-1.49;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM423476;MM423476;C=CC(C=C)=C(C)OCC;SDMCKCBVFGGSQZ-UHFFFAOYSA-N;138.21;2.67;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_C1";;;;;;;2.08;;0.48;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM423475;MM423475;C#CCC1C(C)C(O)C1O;LXSIPQRTIGYWFD-UHFFFAOYSA-N;140.18;;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP1_SC4";;;;;;;1.37;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM423477;MM423477;CC1NC1C1CC1(C)CN;CCJBNCOIUMKIBM-UHFFFAOYSA-N;140.23;0.33;;;;;DOPC;MDCG;27;1;"MARTINI bead: SP1_SNd";;;;;;;0.04;;-5.13;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM423478;MM423478;C#CCC1=CC2C(C)C2C1;YIKJYVAQLBGDPF-UHFFFAOYSA-N;132.21;2.22;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC4_SC5";;;;;;;2.97;;0.45;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM423479;MM423479;COC(C=CNC=N)CF;UVUGGXHHRCBNFT-UHFFFAOYSA-N;146.17;0.68;;;;;DOPC;MDCG;27;1;"MARTINI bead: Na_P2";;;;;;;-0.24;;-7;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM423480;MM423480;C=CC(C#N)=C(C)OCC;VFPCZOAJPUBPJT-UHFFFAOYSA-N;137.18;2.01;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_C4";;;;;;;1.37;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM423481;MM423481;CC=C(CF)C(=NN)OC;BFUKASAGYOZURX-UHFFFAOYSA-N;146.17;0.82;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_C4";;;;;;;1.37;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM423482;MM423482;C#CCC1C(N)C(F)C1O;VPLSCRYRPBSKHG-UHFFFAOYSA-N;143.16;-0.33;;;;;DOPC;MDCG;27;1;"MARTINI bead: SP2_SC4";;;;;;;1.09;;-1.48;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM423483;MM423483;CCC1(N)CC1C1NC1C;NOXNAZBUUWMMEN-UHFFFAOYSA-N;140.23;0.47;;;;;DOPC;MDCG;27;1;"MARTINI bead: SNd_SP1";;;;;;;0.04;;-5.2;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM423484;MM423484;C#CCC1=CC2C(N)C2C1;WHIUVTJNRFIEQY-UHFFFAOYSA-N;133.19;0.91;;;;;DOPC;MDCG;27;1;"MARTINI bead: SP1_SC4";;;;;;;1.37;;-2.54;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM423485;MM423485;C=COC=CC(CC)OC;KBBYVNBEGJJKAJ-UHFFFAOYSA-N;142.2;2.09;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_C5";;;;;;;1.64;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM423486;MM423486;CC#CC1=CC(CF)CC1;TTXODAODLFUPJO-UHFFFAOYSA-N;138.19;2.32;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC3_SC5";;;;;;;3.34;;0.48;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM423487;MM423487;CCOC(N)=C(C#N)C#N;KDFIDTYCUXJWPU-UHFFFAOYSA-N;137.14;0.24;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_P2";;;;;;;0.54;;-1.09;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM423488;MM423488;CC1C(=O)C(C)C1N=CN;UZFKSHUZTJBFOI-UHFFFAOYSA-N;140.19;0.2;;;;;DOPC;MDCG;27;1;"MARTINI bead: P2_SNa";;;;;;;-0.24;;-6.13;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM423489;MM423489;CC1NC1C1CC1(N)CN;ICBCLZIOPJMGHI-UHFFFAOYSA-N;141.22;-0.98;;;;;DOPC;MDCG;27;1;"MARTINI bead: SP1_SP2";;;;;;;-1.06;;-6.03;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM423490;MM423490;CC(C)=CC(C)(O)C(C)C;CVMZUYQSQYOMBW-UHFFFAOYSA-N;142.24;2.36;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda_C4";;;;;;;2.2;;0.49;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM423491;MM423491;C=CCC(C)=C(C=C)C=C;DSSWRQGNLPYKSZ-UHFFFAOYSA-N;134.22;3.25;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4_C1";;;;;;;4.24;;0.42;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM423492;MM423492;CC#CC1=CC(NC)CC1;GMXODUCCWMVHCP-UHFFFAOYSA-N;135.21;1.32;;;;;DOPC;MDCG;27;1;"MARTINI bead: SNd_SC3";;;;;;;2.57;;-1.05;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM423493;MM423493;C=COC=CC(CO)OC;VMJJERAUAKQSFP-UHFFFAOYSA-N;144.17;0.67;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_C5";;;;;;;0.54;;-1.09;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM423494;MM423494;CC1NC1C1CC1(N)CO;MGGIILMDQJJLII-UHFFFAOYSA-N;142.2;-0.94;;;;;DOPC;MDCG;27;1;"MARTINI bead: SP1_SP2";;;;;;;-1.06;;-5.77;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM423495;MM423495;C=COC1C(C)C(=O)C1C;JZLSCNNNIORMDH-UHFFFAOYSA-N;140.18;1.37;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNa_Na";;;;;;;0.87;;-2.22;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM423496;MM423496;C#CCC1=CC2C(F)C2C1;SIZLYBQUXZULJE-UHFFFAOYSA-N;136.17;1.92;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNa_SC4";;;;;;;2.2;;0.34;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM423497;MM423497;C=CC(C=C)=C(C)CC=O;CUSPZYNCKAMKAJ-UHFFFAOYSA-N;136.19;2.26;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_C1";;;;;;;2.91;;0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM423498;MM423498;C=COC=CC(CF)OC;IYMXVKGLDNBEDK-UHFFFAOYSA-N;146.16;1.64;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_Na";;;;;;;0.87;;-2.22;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM423499;MM423499;CC#CC1=CC(OC)CC1;QFPPBRUZGJWEOK-UHFFFAOYSA-N;136.19;1.74;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNa_SC3";;;;;;;2.57;;0.45;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM423500;MM423500;CC1NC1C1CC1(N)CF;ZKAXAPNZNQYPBY-UHFFFAOYSA-N;144.19;0.03;;;;;DOPC;MDCG;27;1;"MARTINI bead: SP1_SP1";;;;;;;-0.79;;-4.45;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM423501;MM423501;CC1C(=O)C(CCO)C1C;PTFQHNDYYHUCGY-UHFFFAOYSA-N;142.2;0.84;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNa_SC5";;;;;;;1.64;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM423502;MM423502;C#CCC1=CC2C(C)C2O1;PNBNGUOJNLTGTB-UHFFFAOYSA-N;134.18;1.56;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC5_SNa";;;;;;;1.64;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM423503;MM423503;C=CC(C=O)=C(C)CC=O;CKORHKFGEZNSMR-UHFFFAOYSA-N;138.17;1.28;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4_P2";;;;;;;1.09;;-0.38;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM423504;MM423504;C=CCC=CC(OC)OC;GXYFTSZQRRUPCP-UHFFFAOYSA-N;142.2;1.74;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_C2";;;;;;;2;;0.29;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM423505;MM423505;CC1NC1C1CC1(O)CN;WWHDXGZTKUYLNE-UHFFFAOYSA-N;142.2;-0.94;;;;;DOPC;MDCG;27;1;"MARTINI bead: SP1_SP2";;;;;;;-1.06;;-6.04;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM423506;MM423506;CC#CC1=CC(CC)NC1;KTXARMHHIWEELF-UHFFFAOYSA-N;135.21;1.32;;;;;DOPC;MDCG;27;1;"MARTINI bead: SNd_SN0";;;;;;;1.17;;-3.86;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM423507;MM423507;CNCC1C(=O)C(C)C1C;CKBGWSUJPIIHJF-UHFFFAOYSA-N;141.21;0.68;;;;;DOPC;MDCG;27;1;"MARTINI bead: SNd_SNa";;;;;;;0.87;;-4.39;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM423508;MM423508;C#CCC1=CC2C(N)C2O1;MIKOTPSCTWEDSM-UHFFFAOYSA-N;135.17;0.25;;;;;DOPC;MDCG;27;1;"MARTINI bead: SP1_SNa";;;;;;;0.04;;-4.33;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM423509;MM423509;CC(CC#N)=C(C#N)C#N;MPYRJHQLEPQDSJ-UHFFFAOYSA-N;131.14;1.26;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_N0";;;;;;;0.34;;-1.53;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM423510;MM423510;CC1NC1C1CC1(F)CN;PZWSUWJWGREVMM-UHFFFAOYSA-N;144.19;0.03;;;;;DOPC;MDCG;27;1;"MARTINI bead: SP1_SP1";;;;;;;-0.79;;-4.71;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM423511;MM423511;C=COC=CC(OC)OC;MIFUYSNTECYVAZ-UHFFFAOYSA-N;144.17;1.28;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_C5";;;;;;;0.81;;-0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM423512;MM423512;CC#CC1=CC(CN)NC1;SPUUJWXSCKGWIU-UHFFFAOYSA-N;136.2;-0.13;;;;;DOPC;MDCG;27;1;"MARTINI bead: SN0_SP2";;;;;;;0.06;;-4.61;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM423513;MM423513;CNCC1C(=O)C(C)N1C;HHOMCGFJIUAQIO-UHFFFAOYSA-N;142.2;-0.52;;;;;DOPC;MDCG;27;1;"MARTINI bead: SP1_SP1";;;;;;;-0.79;;-5.05;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM423514;MM423514;CC=CC1=CC2C(C)C2C1;SOUAZXKKAWGLIZ-UHFFFAOYSA-N;134.22;2.77;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC2_SC5";;;;;;;3.6;;0.34;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM423515;MM423515;C=CCC(N)=C(C#N)C=C;ZKRMLHYBWLUACN-UHFFFAOYSA-N;134.18;1.48;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nd_N0";;;;;;;1.17;;-1.04;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM423516;MM423516;CNC1(C)CC1C1NC1C;DAILMVNLTIBCQP-UHFFFAOYSA-N;140.23;0.34;;;;;DOPC;MDCG;27;1;"MARTINI bead: SNd_SP1";;;;;;;0.04;;-5.14;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM423517;MM423517;CC#CC1=CC(CO)NC1;YCEWSJILTGBHDV-UHFFFAOYSA-N;137.18;-0.1;;;;;DOPC;MDCG;27;1;"MARTINI bead: SN0_SP1";;;;;;;0.34;;-3.62;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM423518;MM423518;CC12CCC(O)(C1)C2;JSAGJFQLUNUICQ-UHFFFAOYSA-N;112.17;1.31;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC3_SNda";;;;;;;2.57;;0.44;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM423519;MM423519;C#CCC1C(=O)C(C)C1C;ZORMXGHOLIQZCN-UHFFFAOYSA-N;136.19;1.48;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNa_SC4";;;;;;;2.2;;0.34;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM423520;MM423520;N#CCC(N)=C(C=O)C=O;ONDGSEDXVMGVOD-UHFFFAOYSA-N;138.13;-0.49;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_Na";;;;;;;-0.24;;-3.24;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM423521;MM423521;CC=CC1=CC2C(N)C2C1;BUGNSRDUYKTZAY-UHFFFAOYSA-N;135.21;1.47;;;;;DOPC;MDCG;27;1;"MARTINI bead: SC2_SP1";;;;;;;2;;-1.23;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM423522;MM423522;CC#CC1=CC(CF)NC1;ULCUWSDUIJOKOZ-UHFFFAOYSA-N;139.17;0.88;;;;;DOPC;MDCG;27;1;"MARTINI bead: SN0_SNda";;;;;;;1.17;;-2.26;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM423523;MM423523;CC=CC1C(=O)C(C)C1C;GPYKGNXBWJDXBC-UHFFFAOYSA-N;138.21;2.03;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC1_SNa";;;;;;;2.91;;0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM423524;MM423524;CC1OC1C1CC1(C)CN;ALFAKJJWWUNPED-UHFFFAOYSA-N;141.21;0.76;;;;;DOPC;MDCG;27;1;"MARTINI bead: SNa_SNd";;;;;;;0.87;;-4.38;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM423525;MM423525;CCC(C=NNC=N)CN;GQLSHXCARXJSPD-UHFFFAOYSA-N;142.21;0.15;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_P2";;;;;;;-0.24;;-5.29;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM423526;MM423526;C=CC(O)(CC)CC(C)C;JJDKXJIZQFHKJL-UHFFFAOYSA-N;142.24;2.36;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_C3";;;;;;;3.34;;0.48;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM423527;MM423527;N#CC(C=O)=C(N)CC=O;ZGFLLNUZVIVTJY-UHFFFAOYSA-N;138.13;-0.49;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_P2";;;;;;;-0.24;;-3.24;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM423528;MM423528;CC#CC1=CC(CC)OC1;QRXFURIZTXFOAD-UHFFFAOYSA-N;136.19;1.74;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNa_SN0";;;;;;;1.17;;-1.18;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM423529;MM423529;CC1C(=O)C(C=CF)C1O;MWSSHTOOZLVRLA-UHFFFAOYSA-N;144.15;0.67;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP2_SC4";;;;;;;1.09;;-0.38;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM423530;MM423530;CC1OC1C1CC1(C)CO;JJVVECZNHWJMBN-UHFFFAOYSA-N;142.2;0.79;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNa_SNda";;;;;;;0.87;;-1.99;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM423531;MM423531;CCC(C=NNC=O)CF;BSNDONUQNHYGOF-UHFFFAOYSA-N;146.17;0.71;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4_P2";;;;;;;1.09;;-0.38;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM423532;MM423532;CC=CC1=CC2C(F)C2C1;YQLKALWQLLEKAW-UHFFFAOYSA-N;138.19;2.48;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC2_SNa";;;;;;;2.83;;0.35;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM423533;MM423533;N#CCC(N)=C(C#N)C=O;OZBYKNKIQNCSMA-UHFFFAOYSA-N;135.13;-0.16;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_Na";;;;;;;-0.24;;-3.24;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM423534;MM423534;CC#CC1=CC(CN)OC1;DNGCCPDAPWSVAL-UHFFFAOYSA-N;137.18;0.29;;;;;DOPC;MDCG;27;1;"MARTINI bead: SN0_SP1";;;;;;;0.34;;-3.56;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM423535;MM423535;CC1OC1C1CC1(N)CN;KFJVFRMXLZBBPO-UHFFFAOYSA-N;142.2;-0.55;;;;;DOPC;MDCG;27;1;"MARTINI bead: SNa_SP2";;;;;;;-0.24;;-5.55;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM423536;MM423536;CC#CC1C(C)C(C)C1F;YKFBZYTVYARPFQ-UHFFFAOYSA-N;140.2;2.25;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC5_SC4";;;;;;;2.97;;0.45;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM423537;MM423537;N=CNN=CC(CN)CO;RHUNAMPZYDBWLB-UHFFFAOYSA-N;144.18;-1.26;;;;;DOPC;MDCG;27;1;"MARTINI bead: P2_P2";;;;;;;-1.34;;-6.07;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM423538;MM423538;CC=CC1=NC2C(C)C2N1;VMVHVEXEJWZQNA-UHFFFAOYSA-N;136.2;0.95;;;;;DOPC;MDCG;27;1;"MARTINI bead: SNd_SP2";;;;;;;-0.24;;-5.21;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM423539;MM423539;N#CC(C#N)=C(F)CC=O;JOJFKGNKJBTCIS-UHFFFAOYSA-N;138.1;0.85;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_Na";;;;;;;0.87;;-2.22;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM423540;MM423540;CCC1(O)CC1C1OC1C;VFCHJHALIPQBNE-UHFFFAOYSA-N;142.2;0.93;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNda_SNa";;;;;;;0.87;;-1.99;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM423541;MM423541;CC#CC1=CC(CO)OC1;UHCHTPNIHRIKRS-UHFFFAOYSA-N;138.17;0.33;;;;;DOPC;MDCG;27;0;"MARTINI bead: SN0_SP1";;;;;;;0.34;;-1.53;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM423542;MM423542;NCC(C=NNC=O)CO;SWTJFKVJAXUOOG-UHFFFAOYSA-N;145.16;-1.71;;;;;DOPC;MDCG;27;1;"MARTINI bead: P2_P2";;;;;;;-1.34;;-6.07;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM423543;MM423543;CC#CC1C(N)C(C)C1N;DTOMETVSXOPSBM-UHFFFAOYSA-N;138.21;-0.07;;;;;DOPC;MDCG;27;1;"MARTINI bead: SNd_SNd";;;;;;;0.87;;-4.58;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM423544;MM423544;CC=CC1=NC2C(N)C2N1;XQCRDCPFYOHDFO-UHFFFAOYSA-N;137.19;-0.36;;;;;DOPC;MDCG;27;1;"MARTINI bead: SNd_SP3";;;;;;;-1.1;;-5.33;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM423545;MM423545;C=CC(C=C)=C(C)NC=N;PAZUWTFHFSJGOQ-UHFFFAOYSA-N;136.2;1.83;;;;;DOPC;MDCG;27;1;"MARTINI bead: P3_C1";;;;;;;0.94;;-3.04;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM423546;MM423546;CC#CC1=CC(CF)OC1;FIIMOBYSQJGFGD-UHFFFAOYSA-N;140.16;1.3;;;;;DOPC;MDCG;27;0;"MARTINI bead: SN0_SNa";;;;;;;1.17;;-1.18;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM423547;MM423547;CC1OC1C1CC1(O)CN;MJWHRIMHJXUIDG-UHFFFAOYSA-N;143.19;-0.52;;;;;DOPC;MDCG;27;1;"MARTINI bead: SNa_SP2";;;;;;;-0.24;;-5.46;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM423548;MM423548;N=CNN=CC(CN)CF;XCIZMMQCYZEOEL-UHFFFAOYSA-N;146.17;-0.29;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1_P2";;;;;;;-1.06;;-5.87;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM423549;MM423549;CC#CC1C(=O)C(C)C1C;CACAKSKNQMMYRO-UHFFFAOYSA-N;136.19;1.48;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNa_SC4";;;;;;;2.2;;0.34;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM423550;MM423550;CC=CC1=CC2C(C)C2O1;IMAIFPGLVNYCEH-UHFFFAOYSA-N;136.19;2.11;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC5_SN0";;;;;;;1.94;;0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM423551;MM423551;C=CC(C=C)=C(C)NC=O;QDQUSKBDMUJLBT-UHFFFAOYSA-N;137.18;1.38;;;;;DOPC;MDCG;27;0;"MARTINI bead: P3_C1";;;;;;;0.94;;0.03;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM423552;MM423552;CC#CC1=CC(OC)OC1;BBHLIWWCGKTANR-UHFFFAOYSA-N;138.17;0.94;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNa_SN0";;;;;;;1.17;;-1.18;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM423553;MM423553;CCC(C=NOC=O)CC;KSNBMBCVTRDQBP-UHFFFAOYSA-N;143.19;1.58;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1_P2";;;;;;;1.8;;0.4;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM423554;MM423554;CC1OC1C1CC1(O)CO;JASAXIHENAXXEH-UHFFFAOYSA-N;144.17;-0.48;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNa_SP2";;;;;;;-0.24;;-3.24;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM423555;MM423555;CC#CC1C(=O)C(F)C1C;XFHORCPBJGGSBV-UHFFFAOYSA-N;140.16;1.18;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC3_SNa";;;;;;;2.57;;0.45;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM423556;MM423556;CC=CC1=CC2C(N)C2O1;OSDPDINWBWZZEX-UHFFFAOYSA-N;137.18;0.8;;;;;DOPC;MDCG;27;1;"MARTINI bead: SC5_SP1";;;;;;;0.81;;-2.28;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM423557;MM423557;CC(N=CN)=C(C#N)C=O;IXODDNIZWDQPPU-UHFFFAOYSA-N;137.14;-0.03;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_P2";;;;;;;-0.24;;-4.59;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM423558;MM423558;NCC(C=NOC=O)CN;DMQWIMMNQDUHLY-UHFFFAOYSA-N;145.16;-1.32;;;;;DOPC;MDCG;27;1;"MARTINI bead: P3_P1";;;;;;;-1.93;;-7.07;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM423559;MM423559;CCC1(F)CC1C1OC1C;FQLYJCQRFJTWMY-UHFFFAOYSA-N;144.19;1.91;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC5_SNa";;;;;;;1.64;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM423560;MM423560;CC#CC1=CC(CC)CO1;LLCMBTANDDYEPD-UHFFFAOYSA-N;136.19;1.95;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC5_SC5";;;;;;;2.41;;0.64;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM423561;MM423561;CC#CC1C(=O)C(C)C1O;ZOJXQFHPRXIBDB-UHFFFAOYSA-N;138.17;0.21;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNda_SC4";;;;;;;2.2;;0.49;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM423562;MM423562;CC#CC1=CC2C(C)C2C1;JMRXJIDPRNARKD-UHFFFAOYSA-N;132.21;2.22;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC3_SC5";;;;;;;3.34;;0.48;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM423563;MM423563;NCC(C=NOC=O)CO;PJMFHVNETBUXTG-UHFFFAOYSA-N;146.15;-1.29;;;;;DOPC;MDCG;27;1;"MARTINI bead: P2_P1";;;;;;;-1.06;;-5.87;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM423564;MM423564;N=CNC(N)=C(C=O)C=O;HTVIMTAMIPPMOW-UHFFFAOYSA-N;141.13;-1.25;;;;;DOPC;MDCG;27;1;"MARTINI bead: P4_Na";;;;;;;-1.19;;-7.84;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM423565;MM423565;CC#CC1=CC(CN)CO1;HKMHOTIMLZINSR-UHFFFAOYSA-N;137.18;0.5;;;;;DOPC;MDCG;27;1;"MARTINI bead: SC5_SP1";;;;;;;0.81;;-3.18;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM423566;MM423566;CC1OC1C1CC1(F)CN;VUGVODTVLVNUAE-UHFFFAOYSA-N;145.18;0.46;;;;;DOPC;MDCG;27;1;"MARTINI bead: SNa_SP1";;;;;;;0.04;;-4.09;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM423567;MM423567;CCCC1CCC(F)CC1;FGRICPQHZRUIGB-UHFFFAOYSA-N;144.23;3.31;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC1_SC4";;;;;;;4.24;;0.42;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM423568;MM423568;CC#CC1=CC2C(N)C2C1;VGZHCLIMPYBYQT-UHFFFAOYSA-N;133.19;0.91;;;;;DOPC;MDCG;27;1;"MARTINI bead: SC3_SP1";;;;;;;1.74;;-1.92;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM423569;MM423569;N#CC(C=O)=C(N)NC=N;LSEXGBMPAMAFGS-UHFFFAOYSA-N;138.13;-0.92;;;;;DOPC;MDCG;27;1;"MARTINI bead: P2_P2";;;;;;;-1.34;;-7.47;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM423570;MM423570;C=CC1C(C)C1(C)O;RKBRYHHKVOAJGA-UHFFFAOYSA-N;112.17;1.19;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4_SNda";;;;;;;2.2;;0.49;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM423571;MM423571;CC1OC1C1CC1(F)CO;QLDNZWQPDOPWSK-UHFFFAOYSA-N;146.16;0.49;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNa_SNda";;;;;;;0.87;;-1.99;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM423572;MM423572;CC#CC1=CC(CO)CO1;ZJNHMNVMXDSBMH-UHFFFAOYSA-N;138.17;0.53;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC5_SP1";;;;;;;0.81;;-0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM423573;MM423573;C=CCC1CCC(F)CN1;HTWPMXBGJRLEJF-UHFFFAOYSA-N;143.21;1.65;;;;;DOPC;MDCG;27;1;"MARTINI bead: SNa_SC5";;;;;;;1.64;;-1.48;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM423574;MM423574;CCC(O)(C=C(C)C)CC;GBVCNGBFJHHACJ-UHFFFAOYSA-N;142.24;2.5;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_C4";;;;;;;2.97;;0.45;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM423575;MM423575;O=CON=CC(CF)CF;MUVJEWAWQDKGKX-UHFFFAOYSA-N;151.11;0.7;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_P2";;;;;;;0.54;;-1.09;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM423576;MM423576;N#CC(C=O)=C(N)NC=O;KFSXBCQHKXMLNN-UHFFFAOYSA-N;139.11;-1.37;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_P2";;;;;;;-1.34;;-4.31;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM423577;MM423577;COC1(C)CC1C1OC1C;NHYFPVVJPXNFJU-UHFFFAOYSA-N;142.2;1.2;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNa_SNa";;;;;;;0.87;;-2.22;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM423578;MM423578;CC#CC1=CC(CF)CO1;XSIMRDPAFXZKDG-UHFFFAOYSA-N;140.16;1.51;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC5_SNa";;;;;;;1.64;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM423579;MM423579;C=CCC1CCC(C)CO1;ZIBBIZVWYIDPES-UHFFFAOYSA-N;140.23;2.38;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC5_SC4";;;;;;;2.97;;0.45;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM423580;MM423580;CC#CC1=CC2C(F)C2C1;VVIGSTIQQBXEHT-UHFFFAOYSA-N;136.17;1.92;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC3_SNa";;;;;;;2.57;;0.45;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM423581;MM423581;CCC(C=NOC=O)NC;QMMBQWDNKVKQLU-UHFFFAOYSA-N;144.17;0.14;;;;;DOPC;MDCG;27;1;"MARTINI bead: C5_P2";;;;;;;0.54;;-2.45;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM423582;MM423582;CC#Cc1nc(N)c(C)o1;JIHXMBPMJCYZQT-UHFFFAOYSA-N;136.15;0.94;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC5_SNd";;;;;;;1.64;;0.02;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM423583;MM423583;CC1CC1C1NC1(C)CN;DZVSZJUFVUDVMU-UHFFFAOYSA-N;140.23;0.33;;;;;DOPC;MDCG;27;1;"MARTINI bead: SC5_SP2";;;;;;;0.54;;-3.07;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM423584;MM423584;CC#CC1=CC(NC)CO1;SIGOZNOSBVPISA-UHFFFAOYSA-N;137.18;0.51;;;;;DOPC;MDCG;27;1;"MARTINI bead: SP1_SC5";;;;;;;0.81;;-1.81;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM423585;MM423585;C=CC#CC1=CC2CC2C1;IIXBJGIYECJDNL-UHFFFAOYSA-N;130.19;2.14;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC3_SC5";;;;;;;3.34;;0.48;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM423586;MM423586;C=CCC1CCC(N)CO1;USZWMMJHSOJNIK-UHFFFAOYSA-N;141.21;1.07;;;;;DOPC;MDCG;27;1;"MARTINI bead: SP1_SC4";;;;;;;1.37;;-2.25;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM423587;MM423587;CCC1(C)NC1C1CC1N;SZAKXJPCKZGXDH-UHFFFAOYSA-N;140.23;0.47;;;;;DOPC;MDCG;27;1;"MARTINI bead: SNd_SP1";;;;;;;0.04;;-4.93;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM423588;MM423588;CNC(C=NOC=O)CN;LAUWTZSHUWTEOJ-UHFFFAOYSA-N;145.16;-1.31;;;;;DOPC;MDCG;27;1;"MARTINI bead: P3_P1";;;;;;;-1.93;;-6.37;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM423589;MM423589;CNN=c1on(N)cc1N;MRPNASQMGRCION-UHFFFAOYSA-N;143.15;-1.59;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP2_SP1";;;;;;;-1.06;;-3.82;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM423590;MM423590;CC#CC1=CC(OC)CO1;VSJMJTLYTFBVAN-UHFFFAOYSA-N;138.17;0.94;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNa_SC5";;;;;;;1.64;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM423591;MM423591;N#CC#CC1=CC2CC2C1;YDRKZSOUJPZNOZ-UHFFFAOYSA-N;129.16;1.48;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC5_SC5";;;;;;;2.41;;0.64;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM423592;MM423592;C=CCC1CCN(C)CC1;XBNLJXNHDKOIKI-UHFFFAOYSA-N;139.24;1.9;;;;;DOPC;MDCG;27;1;"MARTINI bead: SNd_SC5";;;;;;;1.64;;-1.99;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM423593;MM423593;CC1(CN)NC1C1CC1N;RXGQDDQXDCIPIW-UHFFFAOYSA-N;141.22;-0.98;;;;;DOPC;MDCG;27;1;"MARTINI bead: SP2_SP1";;;;;;;-1.06;;-6.28;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM423594;MM423594;C=CC(=O)OC(=NN)OC;QIUUVFZRFHVBGO-UHFFFAOYSA-N;144.13;-0.41;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_N0";;;;;;;0.34;;-1.53;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM423595;MM423595;CCC(C=NNC=O)OC;AMCOZXRLHXWBHR-UHFFFAOYSA-N;144.17;0.14;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_P2";;;;;;;0.54;;-1.09;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM423596;MM423596;CC#CC1=NN(CC)CC1;ARLMFYJPEOCYPF-UHFFFAOYSA-N;136.2;1.09;;;;;DOPC;MDCG;27;0;"MARTINI bead: SN0_SN0";;;;;;;1.47;;-0.05;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM423597;MM423597;C=CC#CC1=CC2NC2C1;CKMDOFQQPJFERL-UHFFFAOYSA-N;131.18;0.85;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC3_SP1";;;;;;;1.74;;0.33;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM423598;MM423598;CC1NC1C1NC1(C)CN;WONDQPXNQNQDSR-UHFFFAOYSA-N;141.22;-0.96;;;;;DOPC;MDCG;27;1;"MARTINI bead: SP1_SP2";;;;;;;-1.06;;-5.81;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM423599;MM423599;C#CCC1CCN(C)CC1;MMVTWSYBXCLOHG-UHFFFAOYSA-N;137.23;1.35;;;;;DOPC;MDCG;27;1;"MARTINI bead: SNd_SN0";;;;;;;1.17;;-3.09;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM423600;MM423600;C=COC(C)=C(C=C)C=C;YZACSGFLWDTHMB-UHFFFAOYSA-N;136.19;2.79;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_C1";;;;;;;2.08;;0.48;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM423601;MM423601;COC(C=NNC=N)CN;GOKUWWGBSATVAI-UHFFFAOYSA-N;144.18;-0.86;;;;;DOPC;MDCG;27;1;"MARTINI bead: P2_P2";;;;;;;-1.34;;-5.7;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM423602;MM423602;C=CC1C=C(C#CC)CC1;RWHIWUIYTGDUGG-UHFFFAOYSA-N;132.21;2.53;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC3_SC4";;;;;;;3.9;;0.47;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM423603;MM423603;C=CCC1CNC(=N)NC1;TUGRPFDETVCUFQ-UHFFFAOYSA-N;139.2;0.31;;;;;DOPC;MDCG;27;1;"MARTINI bead: SP1_SP1";;;;;;;-0.79;;-8.07;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM423604;MM423604;N#CC#CC1=CC2NC2C1;WDJYTTOLUHQMAK-UHFFFAOYSA-N;130.15;0.18;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC5_SP1";;;;;;;0.81;;-0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM423605;MM423605;C=CN(C=O)C(=O)C=NN;WMGNZBXQAVFUFM-UHFFFAOYSA-N;141.13;-0.94;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_P2";;;;;;;-1.06;;-3.82;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM423606;MM423606;COC(C=NNC=O)CN;FBXQWMXMJHWBNF-UHFFFAOYSA-N;145.16;-1.31;;;;;DOPC;MDCG;27;1;"MARTINI bead: P2_P2";;;;;;;-1.34;;-5.7;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM423607;MM423607;C=COC(C)=C(C#N)C=C;KVNSJJXTKPQLBK-UHFFFAOYSA-N;135.17;2.13;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_C4";;;;;;;1.37;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM423608;MM423608;CC#CC1=CC(C=O)CC1;JKQHXAYCESZYMQ-UHFFFAOYSA-N;134.18;1.55;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC3_SNa";;;;;;;2.57;;0.45;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM423609;MM423609;C=CC#CC1=CC2OC2C1;BIQLLUKULJKHTM-UHFFFAOYSA-N;132.16;1.27;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC3_SNa";;;;;;;2.57;;0.45;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM423610;MM423610;C=COC(=O)C(=NN)OC;VPIWXTLDWRBXAN-UHFFFAOYSA-N;144.13;-0.41;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_N0";;;;;;;0.34;;-1.53;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM423611;MM423611;CCC1(C)OC1C1CC1C;MEVDCYMBAOTOSO-UHFFFAOYSA-N;140.23;2.21;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNa_SC5";;;;;;;1.64;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM423612;MM423612;COC(C=NNC=O)CO;MRWWLUMBGWGNAQ-UHFFFAOYSA-N;146.15;-1.27;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_P2";;;;;;;-1.34;;-4.31;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM423613;MM423613;CC(OC=O)=C(C#N)C#N;NFHNLEJTWQCWCT-UHFFFAOYSA-N;136.11;0.48;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_N0";;;;;;;0.34;;-1.53;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM423614;MM423614;CC#CC1=CC(C#N)CC1;FGVFGRNPVLKZTB-UHFFFAOYSA-N;131.18;1.87;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC3_SN0";;;;;;;2.87;;0.37;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM423615;MM423615;CNN=C(C)N(C=O)NC;ZBABNFMJNABNAD-UHFFFAOYSA-N;144.18;-0.87;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nd_P4";;;;;;;-1.19;;-4.91;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM423616;MM423616;N#CC#CC1=CC2OC2C1;YLJPNWSZBMCLAK-UHFFFAOYSA-N;131.13;0.61;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC5_SNa";;;;;;;1.64;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM423617;MM423617;CC1CC1C1OC1(C)CN;ULTQSRJRJGHTTR-UHFFFAOYSA-N;141.21;0.76;;;;;DOPC;MDCG;27;1;"MARTINI bead: SC5_SP2";;;;;;;0.54;;-3.13;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM423618;MM423618;COC(C=NNC=O)CF;TVETZEDHOVFUDU-UHFFFAOYSA-N;148.14;-0.3;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_P2";;;;;;;-0.24;;-3.24;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM423619;MM423619;C=CC1C=C(C#CC)CN1;WMXSHXJAHIRKQS-UHFFFAOYSA-N;133.19;1.09;;;;;DOPC;MDCG;27;1;"MARTINI bead: SN0_SNd";;;;;;;1.17;;-3.05;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM423620;MM423620;C=COC(N)=C(C#N)C=C;PQGDAKDSDGKRCA-UHFFFAOYSA-N;136.15;1.03;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda_N0";;;;;;;1.17;;-1.13;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM423621;MM423621;C=CC#CC1=NN2CC2C1;OWMGGXCYGXXEQO-UHFFFAOYSA-N;132.17;0.62;;;;;DOPC;MDCG;27;0;"MARTINI bead: SN0_SP2";;;;;;;0.06;;-2.21;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM423622;MM423622;CCC=C1CCN(C)CC1;KVSKKKITOVLCHE-UHFFFAOYSA-N;139.24;2.05;;;;;DOPC;MDCG;27;1;"MARTINI bead: SC5_SNd";;;;;;;1.64;;-0.97;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM423623;MM423623;CC1CC1C1OC1(C)CO;YNJOOYIFTWEWPE-UHFFFAOYSA-N;142.2;0.79;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC5_SP1";;;;;;;0.81;;-0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM423624;MM423624;CCC(C=NOC=O)OC;PBGJSHQMRPSNRS-UHFFFAOYSA-N;145.16;0.57;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4_P2";;;;;;;1.09;;-0.38;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM423625;MM423625;CC#CC1=CC(C#N)NC1;OJIGAAWTZRDYGZ-UHFFFAOYSA-N;132.17;0.43;;;;;DOPC;MDCG;27;0;"MARTINI bead: SN0_SP1";;;;;;;0.34;;-1.53;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM423626;MM423626;C=CC(C=O)=C(N)OC=O;LOYHOFKHFSSGGU-UHFFFAOYSA-N;141.13;-0.29;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_N0";;;;;;;0.34;;-1.53;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM423627;MM423627;N#CC#CC1=NN2CC2C1;ATUIAVCTGXBUFC-UHFFFAOYSA-N;131.14;-0.04;;;;;DOPC;MDCG;27;0;"MARTINI bead: SN0_SP2";;;;;;;0.06;;-2.21;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM423628;MM423628;N#CC=C1CCC(F)CN1;QPFOKIIVKBUCPA-UHFFFAOYSA-N;140.16;1.12;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNa_SNd";;;;;;;0.87;;-1.88;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM423629;MM423629;CCC1(C)OC1C1CC1N;YTYXMHGLXSDKCJ-UHFFFAOYSA-N;141.21;0.9;;;;;DOPC;MDCG;27;1;"MARTINI bead: SNa_SP1";;;;;;;0.04;;-5.09;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM423630;MM423630;C=CNC=NC(CC)CC;JZRXUIWDEPMSQQ-UHFFFAOYSA-N;140.23;1.94;;;;;DOPC;MDCG;27;1;"MARTINI bead: C5_Nd";;;;;;;1.64;;-2.83;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM423631;MM423631;C=CC(C#N)=C(N)OC=O;LUIGVCOWINVNHM-UHFFFAOYSA-N;138.13;0.04;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_N0";;;;;;;0.34;;-1.53;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM423632;MM423632;C=CC1C=C(C#CC)CO1;AEVKSYAKIVNCMT-UHFFFAOYSA-N;134.18;1.52;;;;;DOPC;MDCG;27;0;"MARTINI bead: SN0_SNa";;;;;;;1.17;;-1.18;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM423633;MM423633;C#CC#CC1=CC2CC2C1;VKVDUCOMDQBTJU-UHFFFAOYSA-N;128.17;1.59;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC4_SC5";;;;;;;2.97;;0.45;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM423634;MM423634;C=CC=C1CCC(F)CO1;WEGFMHCXUMABAU-UHFFFAOYSA-N;142.17;2.2;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNa_SC4";;;;;;;2.2;;0.34;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM423635;MM423635;CC1(CN)OC1C1CC1N;YHDNHIVHORTUMV-UHFFFAOYSA-N;142.2;-0.55;;;;;DOPC;MDCG;27;1;"MARTINI bead: SP2_SP1";;;;;;;-1.06;;-6.49;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM423636;MM423636;C=CNC=NC(CC)CO;JCDNYJQJWIRMHN-UHFFFAOYSA-N;142.2;0.52;;;;;DOPC;MDCG;27;1;"MARTINI bead: C5_P2";;;;;;;0.54;;-3.45;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM423637;MM423637;C#CCC(C)=C(C#N)C#N;PJKVWFGQTIOESC-UHFFFAOYSA-N;130.15;1.37;;;;;DOPC;MDCG;27;0;"MARTINI bead: N0_N0";;;;;;;1.47;;-0.05;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM423638;MM423638;C#CC#CC1=CC2NC2C1;BCMLRTBMZGPZJS-UHFFFAOYSA-N;129.16;0.29;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC4_SP1";;;;;;;1.37;;-0.04;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM423639;MM423639;CC#CC1=CC(C=O)OC1;XPTKDJAIKLPLKV-UHFFFAOYSA-N;136.15;0.53;;;;;DOPC;MDCG;27;0;"MARTINI bead: SN0_SP1";;;;;;;0.34;;-1.53;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM423640;MM423640;C=CC=C1CCN(C)CC1;HYPZPRZJBBNMTP-UHFFFAOYSA-N;137.23;1.82;;;;;DOPC;MDCG;27;1;"MARTINI bead: SNd_SN0";;;;;;;1.17;;-2.2;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM423641;MM423641;CCC1(C)OC1C1CC1O;PVNJJDXGUMBURC-UHFFFAOYSA-N;142.2;0.93;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNa_SP1";;;;;;;0.04;;-2.54;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM423642;MM423642;C=CNC=NC(CN)CO;UJXDEUBVIKUWNC-UHFFFAOYSA-N;143.19;-0.93;;;;;DOPC;MDCG;27;1;"MARTINI bead: P4_Nd";;;;;;;-1.19;;-6.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM423643;MM423643;C#CCC(N)=C(C#N)C#N;ZPUJVBYNUBZJTN-UHFFFAOYSA-N;131.14;0.27;;;;;DOPC;MDCG;27;0;"MARTINI bead: N0_P1";;;;;;;0.34;;-1.53;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM423644;MM423644;C#CC#CC1=CC2OC2C1;ABHMRXJETWWBDI-UHFFFAOYSA-N;130.15;0.72;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC4_SNa";;;;;;;2.2;;0.34;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM423645;MM423645;C#CC=C1CCC(O)CO1;XEERZABDKPQGIP-UHFFFAOYSA-N;138.17;0.67;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP1_SC5";;;;;;;0.81;;-0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM423646;MM423646;CC#CC1=CC(C#N)OC1;ZQUDZTPWCYHYOP-UHFFFAOYSA-N;133.15;0.86;;;;;DOPC;MDCG;27;0;"MARTINI bead: SN0_SNa";;;;;;;1.17;;-1.18;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM423647;MM423647;C=CN=CNC(CO)CO;DFQPXOKUYKRZRS-UHFFFAOYSA-N;144.17;-0.9;;;;;DOPC;MDCG;27;1;"MARTINI bead: P3_Nd";;;;;;;-1.1;;-6.1;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM423648;MM423648;CC1(CN)OC1C1CC1O;RUGWHILHAQBKSL-UHFFFAOYSA-N;143.19;-0.52;;;;;DOPC;MDCG;27;1;"MARTINI bead: SP2_SP1";;;;;;;-1.06;;-5.87;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM423649;MM423649;C#CCC(F)=C(C=C)C=C;ILZXHVXXSYTDEB-UHFFFAOYSA-N;136.17;2.61;;;;;DOPC;MDCG;27;0;"MARTINI bead: N0_C1";;;;;;;3.21;;0.46;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM423650;MM423650;C#CC#CC1=NN2CC2C1;GQLHANXLEDWYGW-UHFFFAOYSA-N;130.15;0.07;;;;;DOPC;MDCG;27;0;"MARTINI bead: SN0_SP2";;;;;;;0.06;;-2.21;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM423651;MM423651;C=CC1C=C(C#CC)OC1;NJYUNHCIAZLJGG-UHFFFAOYSA-N;134.18;1.73;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC5_SC5";;;;;;;2.41;;0.64;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM423652;MM423652;C#CC=C1CCC(F)CO1;HHTIDBWNOMAZGI-UHFFFAOYSA-N;140.16;1.65;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNa_SC5";;;;;;;1.64;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM423653;MM423653;CCN(C=NCC#N)CC;RUFRWAOMTAPPTH-UHFFFAOYSA-N;139.2;0.88;;;;;DOPC;MDCG;27;1;"MARTINI bead: C5_Nd";;;;;;;1.64;;-1.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM423654;MM423654;C#CCC(F)=C(C#N)C#N;QXLIUOCJWGOQKJ-UHFFFAOYSA-N;134.11;1.28;;;;;DOPC;MDCG;27;0;"MARTINI bead: N0_Na";;;;;;;1.17;;-1.18;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM423655;MM423655;CCC1(C)OC1C1CC1F;FMIVEGNJVSZOTK-UHFFFAOYSA-N;144.19;1.91;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNa_SNa";;;;;;;0.87;;-2.22;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM423656;MM423656;Cc1on(C)c2nncc1-2;KJIPOTCIKWEURY-UHFFFAOYSA-N;137.14;0.82;;;;;DOPC;MDCG;27;0;"MARTINI bead: SN0_SNa";;;;;;;1.17;;-1.18;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM423657;MM423657;CC#CC1=CC(C=O)CO1;QPUXUCLWXWCYMZ-UHFFFAOYSA-N;136.15;0.74;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC5_SNa";;;;;;;1.64;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM423658;MM423658;C#CC=C1CCN(C)CC1;BALYMIVKPQTKEP-UHFFFAOYSA-N;135.21;1.27;;;;;DOPC;MDCG;27;1;"MARTINI bead: SNd_SN0";;;;;;;1.17;;-2.07;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM423659;MM423659;CCN(C=NOC=O)CC;BDDXRQAXYJPBHV-UHFFFAOYSA-N;144.17;0.44;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_P2";;;;;;;0.54;;-1.09;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM423660;MM423660;C#CC(C=C)=C(C)CCC;YUMDCMKSAWTPOS-UHFFFAOYSA-N;134.22;2.92;;;;;DOPC;MDCG;27;0;"MARTINI bead: C3_C3";;;;;;;4.27;;0.2;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM423661;MM423661;CCC1(C)OC1C1OC1C;CMWLENDYYQXJDJ-UHFFFAOYSA-N;142.2;1.34;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNa_SNa";;;;;;;0.87;;-2.22;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM423662;MM423662;Cn1oc(F)c2cnnc1-2;NNXYCNWGGFZHHG-UHFFFAOYSA-N;141.11;0.65;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNa_SNa";;;;;;;0.87;;-2.22;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM423663;MM423663;CC#CC1=CC(C#N)CO1;MULRNFIXAUGCTG-UHFFFAOYSA-N;133.15;1.06;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC5_SN0";;;;;;;1.94;;0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM423664;MM423664;C=C1CCC(=CCC)CC1;IKURIQQNPPCMJF-UHFFFAOYSA-N;136.24;3.45;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC1_SC3";;;;;;;4.61;;0.31;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM423665;MM423665;C=CCN=CN(CC)NC;FGSXWYJWSAZIQK-UHFFFAOYSA-N;141.22;0.66;;;;;DOPC;MDCG;27;1;"MARTINI bead: P3_C4";;;;;;;0.23;;-2.15;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM423666;MM423666;CC1OC1C1OC1(C)CN;RGXPXSGLUNVCNE-UHFFFAOYSA-N;143.19;-0.11;;;;;DOPC;MDCG;27;1;"MARTINI bead: SNa_SP2";;;;;;;-0.24;;-5.29;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM423667;MM423667;C#CC(C=C)=C(C)CCN;ZNIONALRHLBQIJ-UHFFFAOYSA-N;135.21;1.47;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1_C3";;;;;;;1.74;;-2.07;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM423668;MM423668;Cc1on(N)c2nncc1-2;RRAMJNKXBJQFRA-UHFFFAOYSA-N;138.13;;;;;;DOPC;MDCG;27;0;"MARTINI bead: SN0_SP1";;;;;;;0.34;;-1.53;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM423669;MM423669;CC#CC1=CN(C=N)CC1;LZTNBIZBNGEWJV-UHFFFAOYSA-N;134.18;1.21;;;;;DOPC;MDCG;27;1;"MARTINI bead: SN0_SP1";;;;;;;0.34;;-4.38;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM423670;MM423670;C=C1CCC(=CCN)CC1;WGVPLCMXABZSSW-UHFFFAOYSA-N;137.23;2;;;;;DOPC;MDCG;27;1;"MARTINI bead: SC5_SC3";;;;;;;3.34;;0.58;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM423671;MM423671;C#CC(C#N)=C(C)CCC;DTKUMJLKWFWMFL-UHFFFAOYSA-N;133.19;2.26;;;;;DOPC;MDCG;27;0;"MARTINI bead: C3_C5";;;;;;;3.34;;0.48;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM423672;MM423672;CN1CC1C1CC1(C)CN;FDXHGXGQFSEHJW-UHFFFAOYSA-N;140.23;0.29;;;;;DOPC;MDCG;27;1;"MARTINI bead: SP1_SNd";;;;;;;0.04;;-5.12;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM423673;MM423673;CCCCCC(C)(C)O;ACBMYYVZWKYLIP-UHFFFAOYSA-N;130.23;2.34;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1_Nda";;;;;;;2.91;;0.57;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM423674;MM423674;CC#CC1=CN(C=O)CC1;QYMUIJSFRRXVBJ-UHFFFAOYSA-N;135.17;0.76;;;;;DOPC;MDCG;27;0;"MARTINI bead: SN0_SP1";;;;;;;0.34;;-1.53;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM423675;MM423675;Nn1oc(F)c2cnnc1-2;ANLRALQWVMBAEZ-UHFFFAOYSA-N;142.09;-0.17;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNa_SP1";;;;;;;0.04;;-2.54;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM423676;MM423676;CCC=C1CCC(=O)CC1;XQAPDYRGQGGYFJ-UHFFFAOYSA-N;138.21;2.47;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC1_SNa";;;;;;;2.91;;0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM423677;MM423677;CCC1(N)CC1C1CN1C;MLFHLAPJGUOUDJ-UHFFFAOYSA-N;140.23;0.43;;;;;DOPC;MDCG;27;1;"MARTINI bead: SNd_SP1";;;;;;;0.04;;-5.2;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM423678;MM423678;C#CC(C#N)=C(C)CCF;AZWMOFVEEGQGSC-UHFFFAOYSA-N;137.16;1.82;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_Na";;;;;;;1.64;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM423679;MM423679;C=COC=NN(CC)CC;RGHKHTQIPTYBIS-UHFFFAOYSA-N;142.2;1.43;;;;;DOPC;MDCG;27;0;"MARTINI bead: N0_Na";;;;;;;1.17;;-1.18;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM423680;MM423680;CC#CC1=CN(C=N)NC1;GTDULQHILXVIJG-UHFFFAOYSA-N;135.17;0.32;;;;;DOPC;MDCG;27;1;"MARTINI bead: SP1_SP3";;;;;;;-1.93;;-6.38;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM423681;MM423681;C=CNC(=NO)C(F)(F)F;SMJWCFKTVLMWGQ-UHFFFAOYSA-N;154.09;1.07;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_C5";;;;;;;0.81;;-6.23;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM423682;MM423682;CCC=C1CCC(=N)NC1;RFJLYZMYLGHMGG-UHFFFAOYSA-N;138.21;1.68;;;;;DOPC;MDCG;27;1;"MARTINI bead: SC5_SNd";;;;;;;1.64;;-4.48;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM423683;MM423683;CN1CC1C1CC1(N)CN;JKQOFHWMGUVNJN-UHFFFAOYSA-N;141.22;-1.02;;;;;DOPC;MDCG;27;1;"MARTINI bead: SP1_SP2";;;;;;;-1.06;;-6.03;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM423684;MM423684;C#CC(C#N)=C(N)CCC;XDFLHGDXTNRHNG-UHFFFAOYSA-N;134.18;1.16;;;;;DOPC;MDCG;27;0;"MARTINI bead: C3_P1";;;;;;;1.74;;0.29;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM423685;MM423685;C#CCC=CC(CC)CC;NAYBHRNZHWKRKA-UHFFFAOYSA-N;136.24;3;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1_C5";;;;;;;3.68;;0.46;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM423686;MM423686;CC#CC1=CN(C=O)NC1;UGQJORVHQJEIGM-UHFFFAOYSA-N;136.15;-0.13;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP1_SP2";;;;;;;-1.06;;-3.82;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM423687;MM423687;N=C1CCC(=CCN)CN1;LVUJRDBXMPMLSY-UHFFFAOYSA-N;139.2;0.23;;;;;DOPC;MDCG;27;1;"MARTINI bead: SP1_SNd";;;;;;;0.04;;-7.15;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM423688;MM423688;O=CCC(=O)C(C=O)C=O;JIOGWALBCDOBJX-UHFFFAOYSA-N;142.11;-0.84;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_Na";;;;;;;0.87;;-8.48;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM423689;MM423689;CN1CC1C1CC1(N)CO;OLOWPPUJPJOXIY-UHFFFAOYSA-N;142.2;-0.99;;;;;DOPC;MDCG;27;1;"MARTINI bead: SP1_SP2";;;;;;;-1.06;;-5.77;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM423690;MM423690;C=CC(N=C(N)C=O)=NC;HIYXECBAXMAPHW-UHFFFAOYSA-N;139.16;-0.24;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nd_P2";;;;;;;-0.24;;-3.16;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM423691;MM423691;C#CCC=CC(CC)CN;OOGQMHYZULHJHJ-UHFFFAOYSA-N;137.23;1.55;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_C5";;;;;;;1.64;;-2.67;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM423692;MM423692;CC#CC1=CN(C=O)OC1;SGNZZCILYHYVQZ-UHFFFAOYSA-N;137.14;0.3;;;;;DOPC;MDCG;27;0;"MARTINI bead: SN0_SP2";;;;;;;0.06;;-2.21;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM423693;MM423693;Cc1on(C)c2ncnc1-2;LBRKHZQSHMWGGZ-UHFFFAOYSA-N;137.14;0.82;;;;;DOPC;MDCG;27;0;"MARTINI bead: SN0_SP1";;;;;;;0.34;;-1.53;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM423694;MM423694;CCC=C1CCC(=O)NC1;ILEPRYNKGYIZKQ-UHFFFAOYSA-N;139.2;1.23;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC5_SP1";;;;;;;0.81;;-0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM423695;MM423695;CN1CC1C1CC1(N)CF;FTUSGYXQILNAIZ-UHFFFAOYSA-N;144.19;-0.01;;;;;DOPC;MDCG;27;1;"MARTINI bead: SP1_SP1";;;;;;;-0.79;;-4.42;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM423696;MM423696;C#CC(C#N)=C(F)CCC;ASIZBBKOSBNPDB-UHFFFAOYSA-N;137.16;2.17;;;;;DOPC;MDCG;27;0;"MARTINI bead: C3_Na";;;;;;;2.57;;0.45;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM423697;MM423697;CC1(C)N=C(C=O)N=C1N;KIGWGDFRJFUZAW-UHFFFAOYSA-N;139.16;-0.27;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNd_SP1";;;;;;;0.04;;-2.63;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM423698;MM423698;CC#CC1=NN(C=N)CC1;QMKHUSJOKSXNSM-UHFFFAOYSA-N;135.17;0.68;;;;;DOPC;MDCG;27;0;"MARTINI bead: SN0_SP2";;;;;;;0.06;;-2.21;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM423699;MM423699;CC(C)(O)CCCCF;NYZAPIRREZCOGD-UHFFFAOYSA-N;134.19;1.9;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda_C4";;;;;;;2.2;;0.49;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM423700;MM423700;NCC=C1CCC(=O)NC1;YZPUGBCHEFXWCY-UHFFFAOYSA-N;140.19;-0.22;;;;;DOPC;MDCG;27;1;"MARTINI bead: SP1_SP1";;;;;;;-0.79;;-5.07;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM423701;MM423701;CN1CC1C1CC1(O)CN;QAFSWWLRZJAGAK-UHFFFAOYSA-N;142.2;-0.99;;;;;DOPC;MDCG;27;1;"MARTINI bead: SP1_SP2";;;;;;;-1.06;;-6.04;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM423702;MM423702;C#CC(C#N)=C(F)CCO;NYNVGSPDEBSWRS-UHFFFAOYSA-N;139.13;0.75;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_N0";;;;;;;0.34;;-1.53;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM423703;MM423703;C#CCC=CC(CN)CF;HAAWUFVVXFOUAH-UHFFFAOYSA-N;141.19;1.11;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1_C5";;;;;;;0.81;;-3.17;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM423704;MM423704;N#CC(=NO)C(F)=C(F)F;XWYCYVMGEOZVHR-UHFFFAOYSA-N;150.06;1.42;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_C4";;;;;;;1.09;;-5.82;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM423705;MM423705;CC#CC1=NN(C=O)CC1;XSYHCHKJKXKEAB-UHFFFAOYSA-N;136.15;0.23;;;;;DOPC;MDCG;27;0;"MARTINI bead: SN0_SP2";;;;;;;0.06;;-2.21;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM423706;MM423706;C=C1CCC(=CCC)CO1;ZTYIRXGIBDOHHS-UHFFFAOYSA-N;138.21;2.65;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC4_SC5";;;;;;;2.97;;0.45;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM423707;MM423707;C#CC(C=O)=C(C)CNC;CHSLNBBNZZGRNA-UHFFFAOYSA-N;137.18;0.35;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1_Na";;;;;;;0.04;;-4.57;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM423708;MM423708;N=CN(C=O)C(=O)C=NN;XLUICAWSGVGQTQ-UHFFFAOYSA-N;142.12;-1.48;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_P4";;;;;;;-2.01;;-5.13;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM423709;MM423709;C#CCC=CC(CC)NC;JSBNKELIAYSMLD-UHFFFAOYSA-N;137.23;1.56;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_C5";;;;;;;1.64;;-2.43;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM423710;MM423710;Cn1oc(F)c2ncnc1-2;ZPRQNLYONKVIRA-UHFFFAOYSA-N;141.11;0.65;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNa_SP1";;;;;;;0.04;;-2.54;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM423711;MM423711;CCC=C1CCC(=O)OC1;ZBQOGDLEPVTJID-UHFFFAOYSA-N;140.18;1.66;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC4_SNa";;;;;;;2.2;;0.34;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM423712;MM423712;C#CC1C=C(C#CC)CC1;ZMAXLXLOJCPXDW-UHFFFAOYSA-N;130.19;1.98;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC3_SC5";;;;;;;3.34;;0.48;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM423713;MM423713;C#CC(C=O)=C(N)CNC;WDWTYEAXHXTOSN-UHFFFAOYSA-N;138.17;-0.75;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1_P1";;;;;;;-0.79;;-4.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM423714;MM423714;NN=CC(=O)N(C=O)C=O;QFDAIBFAQZIDBL-UHFFFAOYSA-N;143.1;-1.93;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_P2";;;;;;;-1.06;;-3.82;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM423715;MM423715;C#CCC=CC(CN)OC;MDVGMUGYDKGXNC-UHFFFAOYSA-N;139.2;0.54;;;;;DOPC;MDCG;27;1;"MARTINI bead: P2_C5";;;;;;;0.54;;-3.11;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM423716;MM423716;Cc1on(N)c2ncnc1-2;BBCVYOPTQMSLSZ-UHFFFAOYSA-N;138.13;;;;;;DOPC;MDCG;27;0;"MARTINI bead: SN0_SP1";;;;;;;0.34;;-1.53;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM423717;MM423717;C=C1CCC(=CCC)OC1;RKLNBLXGPAIGTL-UHFFFAOYSA-N;138.21;2.65;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC3_SN0";;;;;;;2.87;;0.37;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM423718;MM423718;C#CC1C=C(C#CC)CN1;IAYQZOZAJSPMIB-UHFFFAOYSA-N;131.18;0.54;;;;;DOPC;MDCG;27;1;"MARTINI bead: SN0_SP1";;;;;;;0.34;;-2.99;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM423719;MM423719;C#CC(C=C)=C(C)COC;RKRAHTLBBCLWNH-UHFFFAOYSA-N;136.19;1.77;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_C3";;;;;;;1.74;;0.29;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM423720;MM423720;CN1CC1C1CC1(F)CN;FXLGGUFUSCIUAR-UHFFFAOYSA-N;144.19;-0.01;;;;;DOPC;MDCG;27;1;"MARTINI bead: SP1_SP1";;;;;;;-0.79;;-4.69;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM423721;MM423721;C#CCC=CC(CO)OC;WUNJBLDERILGJR-UHFFFAOYSA-N;140.18;0.57;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_C5";;;;;;;0.54;;-1.09;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM423722;MM423722;C#CCC(F)C=NN(C)C;MELHWZNEIHXLRF-UHFFFAOYSA-N;142.18;0.9;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_C4";;;;;;;1.09;;-0.38;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM423723;MM423723;C=CC=C1CCC(=C)CC1;IPFJLHPWGMTNFP-UHFFFAOYSA-N;134.22;3.23;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC1_SC3";;;;;;;4.61;;0.31;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM423724;MM423724;C#CC1C=C(C#CC)CO1;UMJLHIKAUQAYNP-UHFFFAOYSA-N;132.16;0.97;;;;;DOPC;MDCG;27;0;"MARTINI bead: SN0_SNa";;;;;;;1.17;;-1.18;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM423725;MM423725;C=C(C)C1=CC(=NN)CC1;JLDSGOAZTOWEIE-UHFFFAOYSA-N;136.2;1.6;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC1_SNd";;;;;;;2.91;;0.63;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM423726;MM423726;C#CC(C#N)=C(C)COC;PGHFRAPOXBQSDS-UHFFFAOYSA-N;135.17;1.11;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_C5";;;;;;;0.81;;-0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM423727;MM423727;C#CCC=CC(CF)OC;JYAHSWJBCHYBCY-UHFFFAOYSA-N;142.17;1.55;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_C5";;;;;;;1.64;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM423728;MM423728;Oc1onnc1F;CBKCBCJXTUMUEJ-UHFFFAOYSA-N;104.04;-0.09;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP1_SNa";;;;;;;0.04;;-8.57;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM423729;MM423729;C=C1CCC(=CC=O)CC1;FVIDLPGCFGZTQY-UHFFFAOYSA-N;136.19;2.24;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC3_SC5";;;;;;;3.34;;0.48;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM423730;MM423730;C#CC1C=C(C#CC)OC1;VIWDFADYCOYTQI-UHFFFAOYSA-N;132.16;1.17;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC5_SN0";;;;;;;1.94;;0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM423731;MM423731;C#CC(C=C)=C(F)COC;ZSLVSIBIZXACFN-UHFFFAOYSA-N;140.16;1.68;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_C4";;;;;;;1.37;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM423732;MM423732;CN1CC1C1CC1(F)CF;PHPNPAIZKPPZDF-UHFFFAOYSA-N;147.17;1;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP1_SNa";;;;;;;0.04;;-2.54;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM423733;MM423733;C#CCC=CC(OC)OC;FCYNTNUWTWVZSB-UHFFFAOYSA-N;140.18;1.18;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_C5";;;;;;;0.81;;-0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM423734;MM423734;Nn1oc(F)c2ncnc1-2;NNRFLYMCFWLYMM-UHFFFAOYSA-N;142.09;-0.17;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNa_SP1";;;;;;;0.04;;-2.54;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM423735;MM423735;C=C1CCC(=CC#N)CC1;BTCCZVFDGPTVTR-UHFFFAOYSA-N;133.19;2.57;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC3_SC5";;;;;;;3.34;;0.48;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM423736;MM423736;CC=C1C=C(CCC)CC1;UWBCUMAZJWZLKU-UHFFFAOYSA-N;136.24;3.45;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC1_SC3";;;;;;;4.61;;0.31;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM423737;MM423737;C#CC(C#N)=C(C)NCC;LYQWDFROQSVCFK-UHFFFAOYSA-N;134.18;1.03;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_C5";;;;;;;0.81;;-0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM423738;MM423738;CNC1(C)CC1C1CN1C;WKWFLJMFOQGWHY-UHFFFAOYSA-N;140.23;0.3;;;;;DOPC;MDCG;27;1;"MARTINI bead: SNd_SP1";;;;;;;0.04;;-5.13;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM423739;MM423739;C#CCN=CN(CC)CC;VTFUAYAEMLENFT-UHFFFAOYSA-N;138.21;0.99;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_N0";;;;;;;1.17;;-2.83;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM423740;MM423740;C=CC=C1CCC(=O)CC1;CQTQGJZIOMWXEU-UHFFFAOYSA-N;136.19;2.24;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC1_SNa";;;;;;;2.91;;0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM423741;MM423741;CC=C1C=C(CCN)CC1;GAIDBBFGBDBRIT-UHFFFAOYSA-N;137.23;2;;;;;DOPC;MDCG;27;1;"MARTINI bead: SC3_SNd";;;;;;;2.57;;-1.48;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM423742;MM423742;N#Cc1n[nH]c(=NO)n1O;QWUDNUZALGRFQE-UHFFFAOYSA-N;141.09;-1.39;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP5_SP2";;;;;;;-2.22;;-9.64;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM423743;MM423743;CCC1(C)OC1C1CN1C;PUFAOKOERFZLDU-UHFFFAOYSA-N;141.21;0.87;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNa_SP1";;;;;;;0.04;;-2.54;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM423744;MM423744;C#CC(C=C)=C(C)OCC;XNWJVWYNQMDEQD-UHFFFAOYSA-N;136.19;2.12;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_C3";;;;;;;1.74;;0.29;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM423745;MM423745;C=CC(C=CCCC)CC;FJTJFKQVNQQCEH-UHFFFAOYSA-N;138.25;3.55;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1_C1";;;;;;;4.95;;0.69;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM423746;MM423746;CCCC1=CC(=CF)CC1;PQXWZBUJZUKDCR-UHFFFAOYSA-N;140.2;3.36;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC1_SC4";;;;;;;4.24;;0.42;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM423747;MM423747;ON=c1[nH]c(F)c(F)o1;JNDHCUZQXBBAOG-UHFFFAOYSA-N;136.06;0.18;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP2_SNda";;;;;;;-0.24;;-8.49;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM423748;MM423748;O=CC=C1CCC(=O)CC1;IHRCIHYEFHDQLN-UHFFFAOYSA-N;138.17;1.25;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC5_SNa";;;;;;;1.64;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM423749;MM423749;CN1CC1C1OC1(C)CF;WWIXMMOVCKUVOG-UHFFFAOYSA-N;145.18;0.43;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP1_SNa";;;;;;;0.04;;-2.54;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM423750;MM423750;C#CC(C#N)=C(C)OCC;TXXBPBNAKQBLJD-UHFFFAOYSA-N;135.17;1.45;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_C5";;;;;;;0.81;;-0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM423751;MM423751;C=CC(C=CCCN)CC;ZFWLDNHRAHLGSL-UHFFFAOYSA-N;139.24;2.1;;;;;DOPC;MDCG;27;1;"MARTINI bead: C1_Nd";;;;;;;2.91;;-0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM423752;MM423752;O=c1cnoc(O)n1;BYSBFIPZDCNQQJ-UHFFFAOYSA-N;114.06;-0.86;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP3_SP3";;;;;;;-3.07;;-10.29;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM423753;MM423753;N#CC=C1CCC(=O)CC1;JSSWLOXATWWNKF-UHFFFAOYSA-N;135.17;1.58;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNa_SC5";;;;;;;1.64;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM423754;MM423754;NCCC1=CC(=CF)CC1;GIACYDZOGWCPNN-UHFFFAOYSA-N;141.19;1.91;;;;;DOPC;MDCG;27;1;"MARTINI bead: SNd_SC4";;;;;;;2.2;;-2.18;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM423755;MM423755;CC1CN1C1CC1(C)CN;IXMFWAQHHCOLES-UHFFFAOYSA-N;140.23;0.43;;;;;DOPC;MDCG;27;1;"MARTINI bead: SNd_SNd";;;;;;;0.87;;-4.28;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM423756;MM423756;C#CC(C=O)=C(N)OCC;NMTUEUVYORVCBY-UHFFFAOYSA-N;139.15;0.03;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_P2";;;;;;;0.54;;-1.09;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM423757;MM423757;C=CC(C=CCCO)CC;GZPUFZNRXVICJO-UHFFFAOYSA-N;140.23;2.14;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1_Nda";;;;;;;2.91;;0.57;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM423758;MM423758;CC=C1C=C(CNC)CC1;JPMBABILPMBACD-UHFFFAOYSA-N;137.23;1.87;;;;;DOPC;MDCG;27;1;"MARTINI bead: SNd_SC3";;;;;;;2.57;;-1.19;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM423759;MM423759;Oc1nnon1;PZZDRKAXDMADKP-UHFFFAOYSA-N;87.04;-0.83;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP2_SP2";;;;;;;-1.34;;-9.63;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM423760;MM423760;C=CC=C1CCC(=N)NC1;KMFFJZZDLLHMJL-UHFFFAOYSA-N;136.2;1.46;;;;;DOPC;MDCG;27;1;"MARTINI bead: SN0_SNd";;;;;;;1.17;;-5.6;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM423761;MM423761;C=CC(=O)CC1NC1C#N;TWEXXVCHUAOLQA-UHFFFAOYSA-N;136.15;;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_SP2";;;;;;;-0.24;;-3.24;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM423762;MM423762;C#CC(C=C)=C(C)CC=O;WSXLICOEZNCJSW-UHFFFAOYSA-N;134.18;1.71;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_C5";;;;;;;2.41;;0.64;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM423763;MM423763;C=CC(C=CCCF)CC;NATQNDLZWYWNDE-UHFFFAOYSA-N;142.22;3.11;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1_C4";;;;;;;4.24;;0.42;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM423764;MM423764;CNCC1=CC(=CF)CC1;KZOAQODJIHOTLB-UHFFFAOYSA-N;141.19;1.78;;;;;DOPC;MDCG;27;1;"MARTINI bead: SNd_SC4";;;;;;;2.2;;-1.89;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM423765;MM423765;O=c1cc2c(c(F)o1)CN2;JFXAFKWZRJJROB-UHFFFAOYSA-N;141.1;0.7;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNa_SP1";;;;;;;0.04;;-2.54;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM423766;MM423766;N#CC=C1CCC(=N)NC1;LZDWNYWMDZLBHY-UHFFFAOYSA-N;135.17;0.8;;;;;DOPC;MDCG;27;1;"MARTINI bead: SNd_SN0";;;;;;;1.17;;-5.59;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM423767;MM423767;CCC1(N)CC1N1CC1C;VVHYVUNUTVONCA-UHFFFAOYSA-N;140.23;0.57;;;;;DOPC;MDCG;27;1;"MARTINI bead: SNd_SNd";;;;;;;0.87;;-4.18;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM423768;MM423768;C#CC(C=O)=C(C)CC=O;YSGDDYLKAYJBPB-UHFFFAOYSA-N;136.15;0.72;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_P2";;;;;;;0.54;;-1.09;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM423769;MM423769;CCCC=CC(C=O)CC;WGGJVHZAFNSRCX-UHFFFAOYSA-N;140.23;2.57;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1_C5";;;;;;;3.68;;0.46;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM423770;MM423770;C=CC(=CC)C(=NN)OC;MYDGJKUDLPZTHF-UHFFFAOYSA-N;140.19;1.04;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_C1";;;;;;;2.08;;0.48;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM423771;MM423771;C=CC=C1CCC(=O)NC1;MMSMCOZQCAMRKM-UHFFFAOYSA-N;137.18;1.01;;;;;DOPC;MDCG;27;0;"MARTINI bead: SN0_SP1";;;;;;;0.34;;-1.53;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM423772;MM423772;N=c1nc2c(c(F)o1)CN2;AKWCRJSWINIRPK-UHFFFAOYSA-N;141.11;0.22;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP1_SP1";;;;;;;-0.79;;-3.13;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM423773;MM423773;C#CC(C#N)=C(C)CC#N;CVTKYSPIPIYJMS-UHFFFAOYSA-N;130.15;1.37;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_C5";;;;;;;0.81;;-0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM423774;MM423774;CCCC=CC(C#N)CC;ODEUOSSRYSMXHL-UHFFFAOYSA-N;137.23;2.89;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1_N0";;;;;;;3.21;;0.46;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM423775;MM423775;CC1CN1C1CC1(N)CO;NIDREUQYZVYYRW-UHFFFAOYSA-N;142.2;-0.85;;;;;DOPC;MDCG;27;1;"MARTINI bead: SNd_SP2";;;;;;;-0.24;;-4.6;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM423776;MM423776;N#CC=C1CCC(=O)NC1;LJVNFAXEYLYXCH-UHFFFAOYSA-N;136.15;0.35;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP1_SN0";;;;;;;0.34;;-1.53;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM423777;MM423777;N#CC(F)C(N)=CC(=O)O;ODWGUFSSFRXUFU-UHFFFAOYSA-N;144.11;-0.22;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_Na";;;;;;;0.04;;-8.58;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM423778;MM423778;CCC(CC)COC=NN;YNQSHWGVQBKYIY-UHFFFAOYSA-N;144.22;1.34;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1_P1";;;;;;;2.08;;0.48;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM423779;MM423779;C#CC(C=O)=C(N)CC#N;JFPHNOPQIFQHLJ-UHFFFAOYSA-N;134.14;-0.06;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nd_P2";;;;;;;-0.24;;-3.16;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM423780;MM423780;CCC(C=O)C=CCCF;PRDPROGTDJNRMB-UHFFFAOYSA-N;144.19;2.13;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_C5";;;;;;;2.41;;0.64;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM423781;MM423781;CN=c1ncc(N)nn1N;LZQNMTQJCBVUSY-UHFFFAOYSA-N;140.15;-1.9;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP2_SP2";;;;;;;-1.34;;-4.31;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM423782;MM423782;NCCC1=CC(=NO)CC1;RDZKGMTTZXQPLN-UHFFFAOYSA-N;140.19;0.89;;;;;DOPC;MDCG;27;1;"MARTINI bead: SNd_SNda";;;;;;;0.87;;-4.64;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM423783;MM423783;CC1CN1N=c1occo1;HEYSPEDEYJYUFT-UHFFFAOYSA-N;140.14;0.39;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP1_SP2";;;;;;;-1.06;;-3.82;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM423784;MM423784;C#CC(C=O)=C(F)CC=C;NBRTTWMDTFSXGD-UHFFFAOYSA-N;138.14;1.62;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4_Na";;;;;;;2.2;;0.34;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM423785;MM423785;C=CC=C1CCC(=C)OC1;WXNKVOYHLJNLRU-UHFFFAOYSA-N;136.19;2.42;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC5_SC5";;;;;;;2.41;;0.64;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM423786;MM423786;C=CC(C=CCCC)CN;BGBSJOFPNDWDPD-UHFFFAOYSA-N;139.24;2.1;;;;;DOPC;MDCG;27;1;"MARTINI bead: C1_Nd";;;;;;;2.91;;-0.51;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM423787;MM423787;CC1CN1C1CC1(O)CN;DFNQOQAUBNZYHI-UHFFFAOYSA-N;142.2;-0.85;;;;;DOPC;MDCG;27;1;"MARTINI bead: SNd_SP2";;;;;;;-0.24;;-5.04;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM423788;MM423788;CC1CN1N=c1ocno1;KWSDIVCHFOIHPQ-UHFFFAOYSA-N;141.13;-0.21;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP1_SP2";;;;;;;-1.06;;-3.82;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM423789;MM423789;CNCC1=CC(=NO)CC1;IXOYMHJLLKVPOT-UHFFFAOYSA-N;140.19;0.76;;;;;DOPC;MDCG;27;1;"MARTINI bead: SNd_SNda";;;;;;;0.87;;-4.35;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM423790;MM423790;C#CC(C#N)=C(F)CC=C;VFPBITKSGSXIGL-UHFFFAOYSA-N;135.14;1.94;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4_Na";;;;;;;2.2;;0.34;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM423791;MM423791;C=C1CCC(=CC#N)CO1;KUNRFOFCWGDNBB-UHFFFAOYSA-N;135.17;1.76;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC5_SN0";;;;;;;1.94;;0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM423792;MM423792;C=CC(C=CCCF)CN;QYLZHOVZYRKAGE-UHFFFAOYSA-N;143.21;1.66;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_C5";;;;;;;1.64;;-2.64;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM423793;MM423793;C=Nn1ncc(N)cc1=N;WZAQQVRZGJGURY-UHFFFAOYSA-N;137.15;-0.59;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP1_SP2";;;;;;;-1.06;;-3.82;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM423794;MM423794;CCN=C1C=C(NN)CC1;GFVNDJZBEBATBD-UHFFFAOYSA-N;139.2;0.59;;;;;DOPC;MDCG;27;1;"MARTINI bead: SC4_SNd";;;;;;;2.2;;-2.66;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM423795;MM423795;CCC1(F)CC1N1CC1C;GTTJOLDGGFFRCS-UHFFFAOYSA-N;143.21;1.58;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC5_SNd";;;;;;;1.64;;0.02;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM423796;MM423796;CC1CN1N=c1onno1;SDMDIBWKWRZCEL-UHFFFAOYSA-N;142.12;-0.82;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP1_SP1";;;;;;;-0.79;;-3.13;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM423797;MM423797;C#CC(C#N)=C(F)CC=O;VNZAQOVIBZWBSV-UHFFFAOYSA-N;137.11;0.96;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_Na";;;;;;;0.87;;-2.22;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM423798;MM423798;C=CC=C1CCC(=O)OC1;UHKAVBILDGBXRN-UHFFFAOYSA-N;138.17;1.44;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC5_SNa";;;;;;;1.64;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM423799;MM423799;CC(C)C1C(O)C1(C)C;DAYADTYCFQLZND-UHFFFAOYSA-N;128.22;1.66;;;;;DOPC;MDCG;27;0;"MARTINI bead: C3_SNda";;;;;;;2.57;;0.44;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM423800;MM423800;CCN=C1C=C(NO)CC1;BJYAIHYKIRUSDO-UHFFFAOYSA-N;140.19;1.1;;;;;DOPC;MDCG;27;1;"MARTINI bead: SC4_SNda";;;;;;;2.2;;-2.18;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM423801;MM423801;CC1CN1C1CC1(F)CN;XKDGITHLXCCJQY-UHFFFAOYSA-N;144.19;0.13;;;;;DOPC;MDCG;27;1;"MARTINI bead: SNd_SP1";;;;;;;0.04;;-3.85;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM423802;MM423802;O=c1cnn(C2CNC2)o1;ZNFXKUKUCOBVBL-UHFFFAOYSA-N;141.13;-1.02;;;;;DOPC;MDCG;27;1;"MARTINI bead: SP2_SP1";;;;;;;-1.06;;-5.49;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM423803;MM423803;C#CC(C=C)=C(C)NC=O;JYHKOENGAFMDGL-UHFFFAOYSA-N;135.17;0.83;;;;;DOPC;MDCG;27;0;"MARTINI bead: P3_C3";;;;;;;0.6;;-0.8;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM423804;MM423804;N#CC=C1CCC(=O)OC1;LWVDWGVQVXISGG-UHFFFAOYSA-N;137.14;0.77;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNa_SN0";;;;;;;1.17;;-1.18;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM423805;MM423805;C=C(C)C(C)(CC)CO;RNQONVHTEDSRCQ-UHFFFAOYSA-N;128.22;1.97;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_C4";;;;;;;2.97;;0.45;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM423806;MM423806;CC=C1C=C(OCC)CC1;OPQLSJJDNNEZPO-UHFFFAOYSA-N;138.21;2.65;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC4_SC3";;;;;;;3.9;;0.47;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM423807;MM423807;O=c1cnn(C2COC2)o1;FLVIPMDVKFHUTR-UHFFFAOYSA-N;142.11;-0.59;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP2_SNa";;;;;;;-0.24;;-3.24;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM423808;MM423808;Cn1occc(=NN)c1=O;VVHOXKRRCXOVEY-UHFFFAOYSA-N;141.13;-1.25;;;;;DOPC;MDCG;27;0;"MARTINI bead: SN0_SP2";;;;;;;0.06;;-2.21;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM423809;MM423809;C#CC(C#N)=C(C)NC=O;MYCYPZWATVHXHM-UHFFFAOYSA-N;134.14;0.16;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_N0";;;;;;;0.34;;-1.53;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM423810;MM423810;C=CC12CCC(O)(C1)C2;KQNAAPGCGOHNTR-UHFFFAOYSA-N;124.18;1.48;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNda_SC3";;;;;;;2.57;;0.44;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM423811;MM423811;C=CC=C1CNC(=O)NC1;JZTRKYRMBZIAFA-UHFFFAOYSA-N;138.17;0.41;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP1_SP2";;;;;;;-1.06;;-3.82;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM423812;MM423812;CC1CC1n1ncc(=O)o1;USPWRPPHJWPQQU-UHFFFAOYSA-N;140.14;0.42;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC5_SP2";;;;;;;0.54;;-1.09;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM423814;MM423814;CCOC1=CC(=NO)CC1;ASBOCJDVGXHXSR-UHFFFAOYSA-N;141.17;1.53;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC4_SNda";;;;;;;2.2;;0.49;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM423813;MM423813;CC1CN1C1CC1(F)CF;KFVMXXPRCWTENA-UHFFFAOYSA-N;147.17;1.14;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNd_SNa";;;;;;;0.87;;-1.88;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM423815;MM423815;C#CC(C=O)=C(N)NC=N;YRPMOCZYXFDTSM-UHFFFAOYSA-N;137.14;-0.81;;;;;DOPC;MDCG;27;1;"MARTINI bead: P2_P2";;;;;;;-1.34;;-7.83;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM423816;MM423816;CCCC=CC(C#N)CO;ACWOAOUJTNZWKX-UHFFFAOYSA-N;139.2;1.47;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1_P2";;;;;;;1.8;;0.4;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM423817;MM423817;C=C1CCC(=CC=O)NC1;UWWCCIRJEJNDNI-UHFFFAOYSA-N;137.18;1.01;;;;;DOPC;MDCG;27;0;"MARTINI bead: SN0_SNda";;;;;;;1.17;;-1.13;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM423818;MM423818;NC1CC1n1ncc(=O)o1;NSEQJIOEGNEMSY-UHFFFAOYSA-N;141.13;-0.89;;;;;DOPC;MDCG;27;1;"MARTINI bead: SP1_SP2";;;;;;;-1.06;;-6;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM423819;MM423819;CCCC1=CC(NC)=NC1;ZJXHZCJBZULFFH-UHFFFAOYSA-N;138.21;1.34;;;;;DOPC;MDCG;27;1;"MARTINI bead: SC4_SNd";;;;;;;2.2;;-2.62;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM423820;MM423820;CNC1(C)CC1N1CC1C;BAUYMQOUBHQJMQ-UHFFFAOYSA-N;140.23;0.44;;;;;DOPC;MDCG;27;1;"MARTINI bead: SNd_SNd";;;;;;;0.87;;-4.36;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM423821;MM423821;C#CC(C#N)=C(N)NC=N;WJLRHOIYMHBCKR-UHFFFAOYSA-N;134.14;-0.49;;;;;DOPC;MDCG;27;1;"MARTINI bead: P4_N0";;;;;;;-0.88;;-6.76;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM423822;MM423822;O=CC(C=CCCO)CO;XXVXMUFTPDYDBR-UHFFFAOYSA-N;144.17;-0.27;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda_P2";;;;;;;-0.24;;-3.31;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM423823;MM423823;C=C1CCC(=CC#N)NC1;WMJASBBXDGMHRS-UHFFFAOYSA-N;134.18;1.33;;;;;DOPC;MDCG;27;0;"MARTINI bead: SN0_SNd";;;;;;;1.17;;-1.04;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM423824;MM423824;O=c1cnn(C2CC2O)o1;RWUGMJBLZCDRLZ-UHFFFAOYSA-N;142.11;-0.86;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP1_SP2";;;;;;;-1.06;;-3.82;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM423825;MM423825;COC1(C)CC1N1CC1C;NZIHLHJMYQEWNX-UHFFFAOYSA-N;141.21;0.87;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNa_SNd";;;;;;;0.87;;-1.88;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM423826;MM423826;CN=C1C=C(CCN)CN1;ZGUIIKMTROLMDY-UHFFFAOYSA-N;139.2;-0.11;;;;;DOPC;MDCG;27;1;"MARTINI bead: SNd_SP2";;;;;;;-0.24;;-6.45;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM423827;MM423827;C#CC(C=O)=C(N)NC=O;IMDJOLKYVXWWRG-UHFFFAOYSA-N;138.13;-1.27;;;;;DOPC;MDCG;27;0;"MARTINI bead: P4_Na";;;;;;;-1.19;;-4.76;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM423828;MM423828;C=NN=C1CC=C(C=O)C1;OOLOIKWCOSVPHA-UHFFFAOYSA-N;136.15;0.96;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC5_SNa";;;;;;;1.64;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM423829;MM423829;N#CC(C=CCCO)CO;XGXCUZBJYLYFDA-UHFFFAOYSA-N;141.17;0.06;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda_P2";;;;;;;-0.24;;-3.31;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM423830;MM423830;O=c1cnn(C2CC2F)o1;BUQVBQSFQMUMAJ-UHFFFAOYSA-N;144.11;0.12;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNa_SP2";;;;;;;-0.24;;-3.24;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM423831;MM423831;CC1CC1N1CC1(C)CF;LPZKIMGWICTPBH-UHFFFAOYSA-N;143.21;1.44;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNd_SNa";;;;;;;0.87;;-1.88;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM423832;MM423832;CCCC1=CC(=NN)NC1;ZOXUGMJBHMWGEK-UHFFFAOYSA-N;139.2;0.59;;;;;DOPC;MDCG;27;1;"MARTINI bead: SN0_SP1";;;;;;;0.34;;-2.55;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM423833;MM423833;CC=NNC(=N)ON=CC;FOJCJMZFBGKFOB-UHFFFAOYSA-N;142.16;0.54;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nd_Nda";;;;;;;0.87;;-1.92;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM423834;MM423834;N#CC=C1CCC(=N)NN1;KJRCMVVKMKDQBG-UHFFFAOYSA-N;136.16;0.26;;;;;DOPC;MDCG;27;1;"MARTINI bead: SP2_SNd";;;;;;;-0.24;;-6.17;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM423835;MM423835;O=CC(C=CCCF)CO;UBVLLIKWSAOUBT-UHFFFAOYSA-N;146.16;0.71;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_C5";;;;;;;0.54;;-1.09;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM423836;MM423836;CC1CC1c1coc(=O)o1;RQRKXHXRYKGNMT-UHFFFAOYSA-N;140.14;1.36;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC5_SP1";;;;;;;0.81;;-0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM423837;MM423837;CCC1(C)CN1C1CC1N;CYUVWGGOGGPNFC-UHFFFAOYSA-N;140.23;0.57;;;;;DOPC;MDCG;27;1;"MARTINI bead: SN0_SP3";;;;;;;-0.8;;-4.75;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM423838;MM423838;C=CC(CC)COC=NN;GSRWDMSYBMLCIV-UHFFFAOYSA-N;142.2;1.12;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1_P1";;;;;;;2.08;;0.48;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM423839;MM423839;CC=NN=C(N)C#CC=O;OKTVYQZGLHIEQF-UHFFFAOYSA-N;137.14;-0.45;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nd_Na";;;;;;;0.87;;-1.88;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM423840;MM423840;N#CC=C1CCC(=O)NN1;NETBDVPOFJLAIB-UHFFFAOYSA-N;137.14;-0.19;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP2_SNd";;;;;;;-0.24;;-3.16;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM423841;MM423841;N#CC(C=CCCF)CO;GTOVFLAHTBGREP-UHFFFAOYSA-N;143.16;1.03;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_C5";;;;;;;0.54;;-1.09;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM423842;MM423842;CC1(CO)CN1C1CC1N;ONFCMAOQZJGHGQ-UHFFFAOYSA-N;142.2;-0.85;;;;;DOPC;MDCG;27;1;"MARTINI bead: SP2_SP3";;;;;;;-2.2;;-6.95;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM423843;MM423843;NC1CC1c1coc(=O)o1;NVLWTJHTWKQKBP-UHFFFAOYSA-N;141.13;0.05;;;;;DOPC;MDCG;27;1;"MARTINI bead: SP1_SP1";;;;;;;-0.79;;-5.3;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM423844;MM423844;C=CC=C1CCC(=C)CO1;JSBJROFZDOKRMW-UHFFFAOYSA-N;136.19;2.42;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC4_SN0";;;;;;;2.5;;0.44;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM423845;MM423845;NCCC1=CC(=NO)NC1;BDMRMNDIJPBUFK-UHFFFAOYSA-N;141.17;-0.35;;;;;DOPC;MDCG;27;1;"MARTINI bead: SP2_SP1";;;;;;;-1.06;;-6.25;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM423846;MM423846;C#CC(C=O)=C(N)OC=C;BHGLHUOWSGVSKA-UHFFFAOYSA-N;137.14;0.15;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_P2";;;;;;;0.54;;-1.09;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM423847;MM423847;C=CC(C=CCCC)CF;JZMSOKMLEJTKFD-UHFFFAOYSA-N;142.22;3.11;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1_C5";;;;;;;3.68;;0.46;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM423848;MM423848;O=c1occ(C2CC2O)o1;LUSGPCJLIVHMSS-UHFFFAOYSA-N;142.11;0.08;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP1_SP1";;;;;;;-0.79;;-3.13;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM423849;MM423849;C=C1CCC(=CC#N)OC1;KLKNYIRLPFLBOO-UHFFFAOYSA-N;135.17;1.76;;;;;DOPC;MDCG;27;0;"MARTINI bead: SN0_SNa";;;;;;;1.17;;-1.18;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM423850;MM423850;CC1(CF)CN1C1CC1N;RVFNNPZMHMJAOG-UHFFFAOYSA-N;144.19;0.13;;;;;DOPC;MDCG;27;1;"MARTINI bead: SNa_SP3";;;;;;;-1.1;;-5.96;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM423851;MM423851;CNCC1=CC(=NO)NC1;MRFPXANOJCEDRJ-UHFFFAOYSA-N;141.17;-0.48;;;;;DOPC;MDCG;27;1;"MARTINI bead: SP2_SP1";;;;;;;-1.06;;-5.31;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM423852;MM423852;C#CC(C#N)=C(N)OC=C;VHWAVZYPVQVNCH-UHFFFAOYSA-N;134.14;0.47;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_P2";;;;;;;0.54;;-1.09;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM423853;MM423853;C=CC(C=CCCN)CF;CIWFNOBXIFMCMG-UHFFFAOYSA-N;143.21;1.66;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_C5";;;;;;;1.64;;-2.66;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM423854;MM423854;O=c1occ(C2CC2F)o1;MIIRQILAVGBMQP-UHFFFAOYSA-N;144.1;1.06;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNa_SP1";;;;;;;0.04;;-2.54;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM423855;MM423855;N#CC=C1CCC(=O)CO1;ROPDDRZMVVBBOC-UHFFFAOYSA-N;137.14;0.77;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP1_SNa";;;;;;;0.04;;-2.54;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM423856;MM423856;NN=c1ccon(N)c1=O;VMBHROSCQAYVQB-UHFFFAOYSA-N;142.12;-2.07;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP1_SP2";;;;;;;-1.06;;-3.82;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM423857;MM423857;CCNC1=CC(NC)=NC1;FOLOLZXPDOSTNG-UHFFFAOYSA-N;139.2;0.11;;;;;DOPC;MDCG;27;1;"MARTINI bead: SNd_SNd";;;;;;;0.87;;-4.73;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM423858;MM423858;C#CCC(C)=C(C#C)C=O;GFTDJYDQROFTBW-UHFFFAOYSA-N;132.16;1.16;;;;;DOPC;MDCG;27;0;"MARTINI bead: C3_P2";;;;;;;1.46;;-0.15;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM423859;MM423859;C=CC(C=CCCO)CF;SWKDZNSUPBGTAP-UHFFFAOYSA-N;144.19;1.7;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda_C5";;;;;;;1.64;;0.05;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM423860;MM423860;C=C1CNC(=CC#N)NC1;HTXQLUHJYZWVIQ-UHFFFAOYSA-N;135.17;0.1;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP2_SNd";;;;;;;-0.24;;-3.16;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM423861;MM423861;CC1CC1c1noc(=O)o1;VPEJPVUBLZVCAX-UHFFFAOYSA-N;141.13;0.75;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC5_SP2";;;;;;;0.54;;-1.09;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM423862;MM423862;CCC1(C)CN1C1CC1F;HCCAKTWIPYXLOX-UHFFFAOYSA-N;143.21;1.58;;;;;DOPC;MDCG;27;0;"MARTINI bead: SN0_SP1";;;;;;;0.34;;-1.53;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM423863;MM423863;C=CC(CF)COC=NN;IPFFULFYASQGMO-UHFFFAOYSA-N;146.17;0.68;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_C5";;;;;;;0.81;;-0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM423864;MM423864;C=CC(C=CCCF)CF;FLCMHFRZZJNASJ-UHFFFAOYSA-N;146.18;2.67;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_C5";;;;;;;2.41;;0.64;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM423865;MM423865;C#CCC(C)=C(C#C)C#N;KQIPANSIOFGQRN-UHFFFAOYSA-N;129.16;1.48;;;;;DOPC;MDCG;27;0;"MARTINI bead: N0_C5";;;;;;;1.94;;0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM423866;MM423866;C=CC1(C)CC1C1CC1C;PJFSGHBPXBXFPX-UHFFFAOYSA-N;136.24;2.85;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC5_SC4";;;;;;;2.97;;0.45;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM423867;MM423867;C=C1CNC(=CC#N)OC1;IRLFEVFRAKCNRZ-UHFFFAOYSA-N;136.15;0.53;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP1_SNda";;;;;;;0.04;;-2.73;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM423868;MM423868;NC1CC1c1noc(=O)o1;ZLGZWWCQDZBOCD-UHFFFAOYSA-N;142.11;-0.56;;;;;DOPC;MDCG;27;1;"MARTINI bead: SP1_SP2";;;;;;;-1.06;;-5.98;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM423869;MM423869;CCOC1=CC(NC)=NC1;BOZBWDAYZDFIDB-UHFFFAOYSA-N;140.19;0.54;;;;;DOPC;MDCG;27;1;"MARTINI bead: SNa_SNd";;;;;;;0.87;;-3.29;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM423870;MM423870;CCCC=CC(C=O)CF;VPQJTBDOOXEZIZ-UHFFFAOYSA-N;144.19;2.13;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1_P1";;;;;;;2.08;;0.48;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM423871;MM423871;C#CCC(N)=C(C#C)C=O;QSNSGTFEMWIKKU-UHFFFAOYSA-N;133.15;0.05;;;;;DOPC;MDCG;27;0;"MARTINI bead: N0_P1";;;;;;;0.34;;-1.53;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM423872;MM423872;CC1CC1C1CC1(C)C=O;FKQNPNDMQGSQKL-UHFFFAOYSA-N;138.21;1.87;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC5_SNa";;;;;;;1.64;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM423873;MM423873;C#CC=C1CCC(=C)CC1;BWFGFBMZKSTTPH-UHFFFAOYSA-N;132.21;2.68;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC3_SC2";;;;;;;4.53;;0.32;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM423874;MM423874;O=c1onc(C2CC2O)o1;SSYXUGHXSQEQKI-UHFFFAOYSA-N;143.1;-0.52;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP1_SP2";;;;;;;-1.06;;-3.82;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM423875;MM423875;CC=C1C=C(CCC)CO1;AGLRHQSRHXCNQV-UHFFFAOYSA-N;138.21;2.65;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC5_SC5";;;;;;;2.41;;0.64;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM423876;MM423876;CCCC=CC(C#N)CF;DDRLOLKNWDAZIV-UHFFFAOYSA-N;141.19;2.45;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1_Na";;;;;;;2.91;;0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM423877;MM423877;C#CCC(N)=C(C#C)C#N;SNSAXCPZMYWZPV-UHFFFAOYSA-N;130.15;0.38;;;;;DOPC;MDCG;27;0;"MARTINI bead: N0_P1";;;;;;;0.34;;-1.53;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM423878;MM423878;C#CC=C1CCC(=O)CC1;CYTVDAWDFMGUNH-UHFFFAOYSA-N;134.18;1.69;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNa_SC2";;;;;;;2.83;;0.35;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM423879;MM423879;CC1CC1C1CC1(C)C#N;UKQFDZLRPIHEPN-UHFFFAOYSA-N;135.21;2.19;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC5_SN0";;;;;;;1.94;;0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM423880;MM423880;O=CC(C=CCCF)CF;GVSJEYVQBYXZAZ-UHFFFAOYSA-N;148.15;1.69;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_P1";;;;;;;0.81;;-0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM423881;MM423881;CC1NC1c1coc(=O)o1;PGRZXYLRDLLDCF-UHFFFAOYSA-N;141.13;0.27;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP1_SP1";;;;;;;-0.79;;-3.13;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM423882;MM423882;CC=C1C=C(CCN)CO1;LQVORBFRYUKRAI-UHFFFAOYSA-N;139.2;1.2;;;;;DOPC;MDCG;27;1;"MARTINI bead: SC5_SP1";;;;;;;0.81;;-3.23;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM423883;MM423883;C#CCC(F)=C(C#C)C=C;SELRITZACNZFOX-UHFFFAOYSA-N;134.15;2.05;;;;;DOPC;MDCG;27;0;"MARTINI bead: N0_C4";;;;;;;2.5;;0.44;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM423884;MM423884;C=CC1(C)CC1C1CC1N;PMPOLBQDPGGQNJ-UHFFFAOYSA-N;137.23;1.55;;;;;DOPC;MDCG;27;1;"MARTINI bead: SC4_SP1";;;;;;;1.37;;-2.57;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM423885;MM423885;C#CC=C1CCC(=N)NC1;NQINBDHODKEZLQ-UHFFFAOYSA-N;134.18;0.91;;;;;DOPC;MDCG;27;1;"MARTINI bead: SNd_SN0";;;;;;;1.17;;-5.59;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM423886;MM423886;N#CC(C=CCCF)CF;RPQBULNILRJETB-UHFFFAOYSA-N;145.15;2.01;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4_Na";;;;;;;2.2;;0.34;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM423887;MM423887;CC1NC1c1noc(=O)o1;FXKWHHJRLCKQQC-UHFFFAOYSA-N;142.11;-0.34;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP1_SP2";;;;;;;-1.06;;-3.82;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM423888;MM423888;CCCC1=CC(=CF)OC1;YKKZYAFFUUAQJX-UHFFFAOYSA-N;142.17;2.55;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC5_SNa";;;;;;;1.64;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM423889;MM423889;C#CCC(F)=C(C#C)C#N;YQCHNSAHLAHTKD-UHFFFAOYSA-N;133.13;1.39;;;;;DOPC;MDCG;27;0;"MARTINI bead: N0_Na";;;;;;;1.17;;-1.18;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM423890;MM423890;CCc1onc(C=O)c1N;ISANNUXNRXGZEH-UHFFFAOYSA-N;140.14;0.63;;;;;DOPC;MDCG;27;0;"MARTINI bead: SN0_SP1";;;;;;;0.34;;-1.53;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM423891;MM423891;C=CC(C=CCNC)CC;GGFVFZABCRPNNC-UHFFFAOYSA-N;139.24;1.97;;;;;DOPC;MDCG;27;1;"MARTINI bead: C1_Nd";;;;;;;2.91;;-0.15;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM423892;MM423892;C#CC=C1CCC(=O)NC1;AORJNGZHBFETIS-UHFFFAOYSA-N;135.17;0.46;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP1_SN0";;;;;;;0.34;;-1.53;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM423893;MM423893;CC1OC1c1coc(=O)o1;ROKWCRKYULKEQX-UHFFFAOYSA-N;142.11;0.69;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNa_SP1";;;;;;;0.04;;-2.54;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM423894;MM423894;NCCC1=CC(=CF)OC1;UMXIINDRBCMQSE-UHFFFAOYSA-N;143.16;1.1;;;;;DOPC;MDCG;27;1;"MARTINI bead: SP1_SNa";;;;;;;0.04;;-5.28;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM423895;MM423895;C#CC(C#C)=C(C)CCC;SFHZOZRJCVHLHW-UHFFFAOYSA-N;132.21;2.37;;;;;DOPC;MDCG;27;0;"MARTINI bead: C3_C4";;;;;;;3.9;;0.47;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM423896;MM423896;CCC(C#N)C=CCNC;LKDQWHFFAXAILT-UHFFFAOYSA-N;138.21;1.31;;;;;DOPC;MDCG;27;1;"MARTINI bead: C5_Nd";;;;;;;1.64;;-2.23;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM423897;MM423897;N#CC=CCC1NC1C=O;YQGIAPUELDLNCC-UHFFFAOYSA-N;136.15;;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP2_N0";;;;;;;0.06;;-2.21;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM423898;MM423898;C#CC=C1CCC(=C)OC1;SCIHXBKCYFBLIJ-UHFFFAOYSA-N;134.18;1.87;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC5_SC5";;;;;;;2.41;;0.64;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM423899;MM423899;CC1OC1c1noc(=O)o1;TYRUUVWCMGURAR-UHFFFAOYSA-N;143.1;0.09;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNa_SP2";;;;;;;-0.24;;-3.24;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM423900;MM423900;C#CC(COC=NN)OC;ITBNXZHLNDMXIH-UHFFFAOYSA-N;142.16;-0.45;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_P1";;;;;;;0.04;;-2.54;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM423901;MM423901;C#CC(C#C)=C(C)CCO;ZUXXQHIYJIWZRV-UHFFFAOYSA-N;134.18;0.95;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_C4";;;;;;;1.37;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM423902;MM423902;C=CC(C=CCNC)CF;KCKFFHPDKVKZPP-UHFFFAOYSA-N;143.21;1.53;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_C5";;;;;;;1.64;;-2.23;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM423903;MM423903;C=CC1(N)CC1C1CC1C;ZYHSOKFSWONDLA-UHFFFAOYSA-N;137.23;1.55;;;;;DOPC;MDCG;27;1;"MARTINI bead: SC5_SNd";;;;;;;1.64;;-2.24;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM423904;MM423904;C#CC=C1CCC(=O)OC1;YGPMCONGZJEUKJ-UHFFFAOYSA-N;136.15;0.88;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNa_SC5";;;;;;;1.64;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM423905;MM423905;CCCC1=CC(=NO)OC1;HOCUWJHYQRTOHE-UHFFFAOYSA-N;141.17;1.53;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC5_SP1";;;;;;;0.81;;-0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM423906;MM423906;CN1CC1c1coc(=O)o1;MVEBZASRVQTRKR-UHFFFAOYSA-N;141.13;0.22;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP1_SP1";;;;;;;-0.79;;-3.13;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM423907;MM423907;C#CC(C#C)=C(F)CCC;MNRKYSWJQWKRPB-UHFFFAOYSA-N;136.17;2.28;;;;;DOPC;MDCG;27;0;"MARTINI bead: C3_C5";;;;;;;3.34;;0.48;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM423908;MM423908;C=CC(C=CCOC)CC;AJMAPKMUBQDQRY-UHFFFAOYSA-N;140.23;2.4;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1_Na";;;;;;;2.91;;0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM423909;MM423909;C#CC=C1CNC(=N)NC1;LSWBRGGDBBYWKA-UHFFFAOYSA-N;135.17;-0.33;;;;;DOPC;MDCG;27;1;"MARTINI bead: SP1_SP2";;;;;;;-1.06;;-8.18;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM423910;MM423910;C=CC1(N)CC1C1CC1N;UYZFWLVMAWFLNI-UHFFFAOYSA-N;138.21;0.24;;;;;DOPC;MDCG;27;1;"MARTINI bead: SP1_SNd";;;;;;;0.04;;-5.44;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM423911;MM423911;CN1CC1c1noc(=O)o1;MVTJCZCLTKZVGF-UHFFFAOYSA-N;142.11;-0.39;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP1_SP2";;;;;;;-1.06;;-3.82;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM423912;MM423912;NCCC1=CC(=NO)OC1;FWABKCLJGVQGSJ-UHFFFAOYSA-N;142.16;0.08;;;;;DOPC;MDCG;27;1;"MARTINI bead: SP1_SP1";;;;;;;-0.79;;-5.71;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM423913;MM423913;CCC(C=O)C=CCOC;VPHUAKSRSQIHHA-UHFFFAOYSA-N;142.2;1.41;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_Na";;;;;;;1.64;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM423914;MM423914;C#CC(C#C)=C(F)CCN;ALMYTIKZFJAWGP-UHFFFAOYSA-N;137.16;0.83;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1_C5";;;;;;;0.81;;-3.15;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM423915;MM423915;C#CC=C1CCC(=C)CO1;AKFLJPJPXFQNPC-UHFFFAOYSA-N;134.18;1.87;;;;;DOPC;MDCG;27;0;"MARTINI bead: SN0_SC5";;;;;;;1.94;;0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM423916;MM423916;C=CC1(N)CC1C1CC1O;YZCVCPDQMCAFQG-UHFFFAOYSA-N;139.2;0.27;;;;;DOPC;MDCG;27;1;"MARTINI bead: SNd_SP1";;;;;;;0.04;;-4.68;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM423917;MM423917;CC1CN1c1coc(=O)o1;ZMWWYBUQLQMLII-UHFFFAOYSA-N;141.13;0.44;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP1_SP1";;;;;;;-0.79;;-3.13;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM423918;MM423918;C=CC(C=C)COC=NN;NEFDGHXGJCUYGH-UHFFFAOYSA-N;140.19;0.89;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_C2";;;;;;;2;;0.29;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM423919;MM423919;CCC(C#N)C=CCOC;WQIQGNSRCMHRQU-UHFFFAOYSA-N;139.2;1.74;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_Na";;;;;;;1.64;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM423920;MM423920;C#CC(C#C)=C(F)CCO;HQXUSRINHNESKQ-UHFFFAOYSA-N;138.14;0.86;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_C5";;;;;;;0.81;;-0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM423921;MM423921;C#CC=C1CCC(=O)CO1;TWYKKZNCQAOKGZ-UHFFFAOYSA-N;136.15;0.88;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP1_SC5";;;;;;;0.81;;-0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM423922;MM423922;CC1CN1c1noc(=O)o1;XTMIJSAQNHGPSJ-UHFFFAOYSA-N;142.11;-0.16;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP1_SP3";;;;;;;-1.93;;-4.72;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM423923;MM423923;C=CC1(N)CC1C1CC1F;PQDJEEWPQBDNKF-UHFFFAOYSA-N;141.19;1.25;;;;;DOPC;MDCG;27;1;"MARTINI bead: SNd_SNa";;;;;;;0.87;;-4.23;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM423924;MM423924;C=CC(C=CCOC)CN;ZFFIARUKLTUTEE-UHFFFAOYSA-N;141.21;0.95;;;;;DOPC;MDCG;27;1;"MARTINI bead: Na_Nd";;;;;;;0.87;;-4.62;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM423925;MM423925;C#CC(C=C)COC=NN;DNZZHMMWNLGQOI-UHFFFAOYSA-N;138.17;0.34;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_C5";;;;;;;0.81;;-0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM423926;MM423926;C#CC(C#C)=C(C)COC;TVBUSZFSXZCYIB-UHFFFAOYSA-N;134.18;1.22;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_C4";;;;;;;1.37;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM423927;MM423927;C=CCC1C=CC(C)CC1;WKJMYPKFQOOFRA-UHFFFAOYSA-N;136.24;3.16;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC3_SC1";;;;;;;4.61;;0.31;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM423928;MM423928;CC1C(=O)CN1C;VRCXEWWGAVMFGL-UHFFFAOYSA-N;99.13;-0.11;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNd_SP3";;;;;;;-1.1;;-3.93;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM423929;MM423929;CC1C2CC3(C)C(C)C3C12;PBBRCXHFOCPZLU-UHFFFAOYSA-N;136.24;2.54;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC4_SC5";;;;;;;2.97;;0.45;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM423930;MM423930;C=CC(C=COCC)CC;JTDANHRAMPZWQZ-UHFFFAOYSA-N;140.23;2.75;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_C1";;;;;;;3.68;;0.46;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM423931;MM423931;C#CC(C#C)=C(F)COC;KAWVJZVBZFSZOP-UHFFFAOYSA-N;138.14;1.12;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_C5";;;;;;;0.81;;-0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM423932;MM423932;CC#CC1=CCC(=NN)O1;BTDPEERUPBQBQB-UHFFFAOYSA-N;136.15;0.59;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC5_SNd";;;;;;;1.64;;0.02;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM423933;MM423933;CC=C1C=C(OCC)CO1;ZZPRQGKSQRLVPW-UHFFFAOYSA-N;140.18;1.84;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNa_SC5";;;;;;;1.64;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM423934;MM423934;CC1CC1C1CC1(O)C=O;HXYMBZUMPALGEB-UHFFFAOYSA-N;140.18;0.59;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC5_SP2";;;;;;;0.54;;-1.09;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM423935;MM423935;CC1C2C3C(F)C3CC12C;GWVUUUDKZNAAQY-UHFFFAOYSA-N;140.2;2.25;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNa_SC4";;;;;;;2.2;;0.34;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM423936;MM423936;CCOC=CC(C=O)CC;PUOYYMLJTIZEAI-UHFFFAOYSA-N;142.2;1.76;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_C5";;;;;;;2.41;;0.64;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM423937;MM423937;C#CC(C#C)=C(C)OCC;CGXJBUJWQYHTMZ-UHFFFAOYSA-N;134.18;1.56;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_C4";;;;;;;1.37;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM423938;MM423938;CCOC1=CC(=CF)OC1;BAVMVTVLSNHECI-UHFFFAOYSA-N;144.15;1.75;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNa_SNa";;;;;;;0.87;;-2.22;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM423939;MM423939;CCn1nc(F)c(=NN)o1;ZAKJFNLTZFCRDW-UHFFFAOYSA-N;146.13;-0.59;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP2_SP2";;;;;;;-1.34;;-4.31;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM423940;MM423940;CC1CC1C1CC1(O)C#N;WMGBRDYIADWAEJ-UHFFFAOYSA-N;137.18;0.92;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC5_SP2";;;;;;;0.54;;-1.09;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM423941;MM423941;CC1C2CC3(C)C(N)C3C12;YYMZNYZPHDIBGV-UHFFFAOYSA-N;137.23;1.24;;;;;DOPC;MDCG;27;1;"MARTINI bead: SNd_SC5";;;;;;;1.64;;-2.24;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM423942;MM423942;C#CC(C#C)COC=NN;SSUKZWOMLRAUJV-UHFFFAOYSA-N;136.15;-0.21;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_N0";;;;;;;0.34;;-1.53;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM423943;MM423943;C#CC(C#C)=C(C)CC=C;ZKYHQENRGBERLI-UHFFFAOYSA-N;130.19;2.15;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4_C4";;;;;;;3.53;;0.53;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM423944;MM423944;C=CC1(O)CC1C1CC1N;OVVRYHWFMWBCTR-UHFFFAOYSA-N;139.2;0.27;;;;;DOPC;MDCG;27;1;"MARTINI bead: SP1_SNda";;;;;;;0.04;;-5.05;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM423945;MM423945;CCOC=CC(C#N)CC;LVBFNXPLERBXDD-UHFFFAOYSA-N;139.2;2.09;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_N0";;;;;;;1.94;;0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM423946;MM423946;C=CCC1C=CC(C)NC1;ZRIRMBDWZFIYBA-UHFFFAOYSA-N;137.23;1.73;;;;;DOPC;MDCG;27;1;"MARTINI bead: SNd_SC5";;;;;;;1.64;;-2.64;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM423947;MM423947;CC1C2CC3(C)C(F)C3C12;LQRZSBWARLTXQO-UHFFFAOYSA-N;140.2;2.25;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC4_SC5";;;;;;;2.97;;0.45;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM423948;MM423948;C#CC(C#C)=C(C)CC#N;BWBFNWHNIVUTAT-UHFFFAOYSA-N;129.16;1.48;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_C4";;;;;;;1.37;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM423949;MM423949;C=CC1(O)CC1C1CC1O;PCABRGGHQNHLBU-UHFFFAOYSA-N;140.18;0.3;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP1_SNda";;;;;;;0.04;;-2.73;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM423950;MM423950;C=Cn1nc(F)c(=NN)o1;SBYYHURDEQOSBS-UHFFFAOYSA-N;144.11;-0.51;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP2_SP2";;;;;;;-1.34;;-4.31;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM423951;MM423951;NCCC1=CC(=NO)CN1;MYPDHBZTRUGDRG-UHFFFAOYSA-N;141.17;-0.35;;;;;DOPC;MDCG;27;1;"MARTINI bead: SP1_SP2";;;;;;;-1.06;;-6.21;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM423952;MM423952;C=CC(C=COCC)CN;DZRRMUFKZQLPSL-UHFFFAOYSA-N;141.21;1.3;;;;;DOPC;MDCG;27;1;"MARTINI bead: Na_Nd";;;;;;;0.87;;-4.61;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM423953;MM423953;CC1C2C3C(N)C3CC12F;PCTWADAMWYKTKU-UHFFFAOYSA-N;141.19;0.94;;;;;DOPC;MDCG;27;1;"MARTINI bead: SP1_SC5";;;;;;;0.81;;-3.12;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM423954;MM423954;C#CC(C#C)=C(F)CC=C;PLQZZDFUPQKEKE-UHFFFAOYSA-N;134.15;2.05;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4_C5";;;;;;;2.97;;0.45;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM423955;MM423955;O=CC1(O)CC1C1CC1O;UQSGRZKPMZKFTQ-UHFFFAOYSA-N;142.15;-0.68;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP1_SP2";;;;;;;-1.06;;-3.82;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM423956;MM423956;C#CCNCC(=NN)OC;UDMVIZQMKDRPGL-UHFFFAOYSA-N;141.17;-0.87;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_P2";;;;;;;-1.06;;-3.82;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM423957;MM423957;C=CC(C=COCC)CO;DOEDOFWCRNHJFT-UHFFFAOYSA-N;142.2;1.33;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_Nda";;;;;;;1.64;;0.05;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM423958;MM423958;N=Cn1nc(F)c(=NN)o1;XTESVMFRTUWGJB-UHFFFAOYSA-N;145.1;-1.16;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP2_SP3";;;;;;;-2.2;;-5.19;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM423959;MM423959;CC1C2C3C(F)C3CC12F;ZDYACRZWRZIXLD-UHFFFAOYSA-N;144.16;1.95;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNa_SC5";;;;;;;1.64;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM423960;MM423960;C#CC(C#C)=C(F)CC#N;UPPJPADGOHHCPT-UHFFFAOYSA-N;133.13;1.39;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_C5";;;;;;;0.81;;-0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM423961;MM423961;CC=C(CC)COC=NN;DFRJXUJPXOHLAC-UHFFFAOYSA-N;142.2;1.26;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1_P1";;;;;;;2.08;;0.48;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM423962;MM423962;N#CC1(O)CC1C1CC1O;OKCVKUIJUKXBTK-UHFFFAOYSA-N;139.15;-0.36;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP1_SP2";;;;;;;-1.06;;-3.82;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM423963;MM423963;CCOC=CC(C#N)CO;VJZMVMCIBYQCIM-UHFFFAOYSA-N;141.17;0.67;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_P2";;;;;;;0.54;;-1.09;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM423964;MM423964;C#CCN1C=CC(=O)CC1;QIUJKVULYFDDJI-UHFFFAOYSA-N;135.17;0.41;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP2_SNd";;;;;;;-0.24;;-3.16;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM423965;MM423965;CC1C2CC3(F)C(N)C3C12;WZQKEIBOPYNHEG-UHFFFAOYSA-N;141.19;0.94;;;;;DOPC;MDCG;27;1;"MARTINI bead: SNda_SC5";;;;;;;1.64;;-1.21;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM423966;MM423966;CCC(=CF)COC=NN;KOIQIMGHGGUJIW-UHFFFAOYSA-N;146.17;1.17;;;;;DOPC;MDCG;27;0;"MARTINI bead: C3_P1";;;;;;;1.74;;0.29;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM423967;MM423967;C#CC(C#C)=C(C)OC=C;PQQBRFBMBJFHGY-UHFFFAOYSA-N;132.16;1.69;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_C4";;;;;;;1.37;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM423968;MM423968;C=CC(C=COCC)CF;XAXRYLGBRCFWEV-UHFFFAOYSA-N;144.19;2.31;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_C4";;;;;;;2.2;;0.34;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM423969;MM423969;C=CC1(O)CC1C1CC1F;ZTVLUPCQCQIDJI-UHFFFAOYSA-N;142.17;1.28;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNda_SNa";;;;;;;0.87;;-1.99;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM423970;MM423970;C#CCN1C=NC(=N)CC1;UMPMDAOSLHRFQF-UHFFFAOYSA-N;135.17;0.33;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP2_SNd";;;;;;;-0.24;;-3.16;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM423971;MM423971;NC1C2CC3(F)C(O)C3C12;VTTGGOFCKXWKJC-UHFFFAOYSA-N;143.16;-0.34;;;;;DOPC;MDCG;27;1;"MARTINI bead: SNda_SP1";;;;;;;0.04;;-5.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM423972;MM423972;C#CCC(C)=C(C#C)C#C;JHGONLFPLASNHE-UHFFFAOYSA-N;128.17;1.59;;;;;DOPC;MDCG;27;0;"MARTINI bead: N0_C4";;;;;;;2.5;;0.44;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM423973;MM423973;CC=C(CF)COC=NN;GCSAOOYWJRYDJK-UHFFFAOYSA-N;146.17;0.82;;;;;DOPC;MDCG;27;0;"MARTINI bead: C3_P3";;;;;;;0.6;;-0.8;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM423974;MM423974;O=CC1(O)CC1C1CC1F;IUQPZUAEGXVPKL-UHFFFAOYSA-N;144.15;0.29;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP2_SNa";;;;;;;-0.24;;-3.24;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM423975;MM423975;CCOC=CC(C=O)CF;NNYCEBUGPNYKPX-UHFFFAOYSA-N;146.16;1.32;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_P1";;;;;;;0.81;;-0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM423976;MM423976;CCc1nc(=NN)n(N)o1;KVONUNMAWUQHIS-UHFFFAOYSA-N;143.15;-1.47;;;;;DOPC;MDCG;27;0;"MARTINI bead: SN0_SP3";;;;;;;-0.8;;-2.99;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM423977;MM423977;CC1C2CC3(C)C(C)C3N12;GCZCEHPTGRVYQP-UHFFFAOYSA-N;137.23;1.49;;;;;DOPC;MDCG;27;0;"MARTINI bead: SN0_SNd";;;;;;;1.17;;-1.04;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM423978;MM423978;C#CCC(F)=C(C#C)C#C;LHCJRNPHOOKFPB-UHFFFAOYSA-N;132.14;1.5;;;;;DOPC;MDCG;27;0;"MARTINI bead: N0_C5";;;;;;;1.94;;0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM423979;MM423979;CC=C(COC=NN)OC;NITNRPUGDMMUCZ-UHFFFAOYSA-N;144.17;0.46;;;;;DOPC;MDCG;27;0;"MARTINI bead: C3_P3";;;;;;;0.6;;-0.8;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM423980;MM423980;C=CC1(F)CC1C1CC1C;VWGWFCKFLYYZFC-UHFFFAOYSA-N;140.2;2.56;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC5_SC5";;;;;;;2.41;;0.64;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM423981;MM423981;C#CCN1CCC(=C)C=N1;JUOMFERFJDZNFO-UHFFFAOYSA-N;134.18;0.87;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP1_SN0";;;;;;;0.34;;-1.53;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM423982;MM423982;CCOC=CC(C#N)CF;RKXADRNVFUGJEV-UHFFFAOYSA-N;143.16;1.65;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_Na";;;;;;;1.64;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM423983;MM423983;CC1C2CC3(C)C(N)C3N12;KCGSYDDZRITOFV-UHFFFAOYSA-N;138.21;0.18;;;;;DOPC;MDCG;27;1;"MARTINI bead: SP2_SNd";;;;;;;-0.24;;-4.65;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM423984;MM423984;CC=CC(C)=C(CC)CC;VQGXKTWASPUZQC-UHFFFAOYSA-N;138.25;3.7;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1_C4";;;;;;;4.24;;0.42;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM423985;MM423985;CC1CC1C1CC1(F)C=O;JWOJRPOFEPVNQI-UHFFFAOYSA-N;142.17;1.57;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC5_SNa";;;;;;;1.64;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM423986;MM423986;COC(=CF)COC=NN;WNGCOXPWLLMBLD-UHFFFAOYSA-N;148.14;0.36;;;;;DOPC;MDCG;27;0;"MARTINI bead: N0_P1";;;;;;;0.34;;-1.53;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM423987;MM423987;NN=c1nc(CF)on1N;WOKWWUOSZRXOSI-UHFFFAOYSA-N;147.11;-1.57;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP3_SNa";;;;;;;-1.1;;-4.2;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM423988;MM423988;C=CC(C=CCCC)NC;RFYWUXLEUPOMKO-UHFFFAOYSA-N;139.24;2.12;;;;;DOPC;MDCG;27;1;"MARTINI bead: C1_Nd";;;;;;;2.91;;0.28;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM423989;MM423989;C=NNC(=N)C=C(N)CF;PCPYTULSUOMMIN-UHFFFAOYSA-N;144.15;-0.02;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda_P2";;;;;;;-0.24;;-3.31;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM423990;MM423990;CCC(CC)=C(C)C=CF;YHJISXLEDIQJAX-UHFFFAOYSA-N;142.22;3.61;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1_C5";;;;;;;3.68;;0.46;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM423991;MM423991;CCCc1cc(=NO)o[nH]1;GZGCIBXGXZXKIJ-UHFFFAOYSA-N;142.16;0.85;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC5_SP2";;;;;;;0.54;;-1.09;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM423992;MM423992;CC1CC1C1CC1(F)C#N;STRSSKZALMVBBW-UHFFFAOYSA-N;139.17;1.89;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC5_SNa";;;;;;;1.64;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM423993;MM423993;C=Cc1nc(=NN)n(N)o1;RSVAPTWLKRMUGN-UHFFFAOYSA-N;141.13;-1.39;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP3_SP1";;;;;;;-1.93;;-4.72;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM423994;MM423994;CC1C2CC3(O)C(N)C3N12;QPBBETMNAJOMPD-UHFFFAOYSA-N;140.19;-1.1;;;;;DOPC;MDCG;27;1;"MARTINI bead: SP3_SNd";;;;;;;-1.1;;-5.09;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM423995;MM423995;C=CC(C=CCCO)NC;BUFYYZDMUZAECO-UHFFFAOYSA-N;141.21;0.7;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_Nda";;;;;;;0.87;;-3.64;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM423996;MM423996;CC=C1C=C(CCC)OC1;PKKDUFWKAMRDFJ-UHFFFAOYSA-N;138.21;2.65;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC4_SC5";;;;;;;2.97;;0.45;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM423997;MM423997;CCC(CN)=C(C)C=CF;NSWUOSAIMZOCBX-UHFFFAOYSA-N;143.21;2.15;;;;;DOPC;MDCG;27;1;"MARTINI bead: C5_C5";;;;;;;2.41;;0.03;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM423998;MM423998;C=CC1(F)CC1C1CC1N;JUYOPHQLOARAHT-UHFFFAOYSA-N;141.19;1.25;;;;;DOPC;MDCG;27;1;"MARTINI bead: SP1_SC5";;;;;;;0.81;;-3.11;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM423999;MM423999;CCC=C1C=CC(C)NC1;JPLHZIPNBLBPEJ-UHFFFAOYSA-N;137.23;1.87;;;;;DOPC;MDCG;27;1;"MARTINI bead: SC5_SNd";;;;;;;1.64;;-1.77;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM424000;MM424000;C=CC(C=CCCF)NC;ZDHUGMVIXRDVBJ-UHFFFAOYSA-N;143.21;1.68;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_C5";;;;;;;1.64;;-1.62;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM424001;MM424001;CC#CC12CC3C(C1)C3C2;NBHRWOTZQMASAO-UHFFFAOYSA-N;132.21;2.06;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC1_SC5";;;;;;;3.68;;0.46;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM424002;MM424002;CC=NNC(C)=C(C)C=O;KKTAUYRREATYAK-UHFFFAOYSA-N;140.19;1.07;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nd_Na";;;;;;;0.87;;-1.88;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM424003;MM424003;CCCC1=CC(=CF)CO1;LQWYYLVPXZRLNN-UHFFFAOYSA-N;142.17;2.55;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC4_SNa";;;;;;;2.2;;0.34;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM424004;MM424004;C=CC1(F)CC1C1CC1O;YGWLGWQMUTWDMM-UHFFFAOYSA-N;142.17;1.28;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP1_SC5";;;;;;;0.81;;-0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM424005;MM424005;CCC=C1C=NN(C)CC1;QXOJWXPYUNCRIU-UHFFFAOYSA-N;138.21;1.64;;;;;DOPC;MDCG;27;0;"MARTINI bead: SN0_SN0";;;;;;;1.47;;-0.05;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM424006;MM424006;CCCC=CC(C#N)NC;RLXQYYPBKRWTKF-UHFFFAOYSA-N;138.21;1.45;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1_P2";;;;;;;1.8;;0.41;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM424007;MM424007;CC1Cn2c1nc(=N)n2C;ATHVZBGFFGYGGL-UHFFFAOYSA-N;138.17;-0.18;;;;;DOPC;MDCG;27;1;"MARTINI bead: SP1_SP3";;;;;;;-1.93;;-8.85;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM424008;MM424008;CC(C=CF)=C(CN)CN;YOWMWGVCFSBWGS-UHFFFAOYSA-N;144.19;0.7;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nda_P2";;;;;;;-0.24;;-5.49;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM424009;MM424009;C=CC(=CC)COC=NN;OGGSKYGYMXASFL-UHFFFAOYSA-N;140.19;1.04;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1_P1";;;;;;;2.08;;0.48;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM424010;MM424010;O=CC1(F)CC1C1CC1O;QZWUREQYDWXUOR-UHFFFAOYSA-N;144.15;0.29;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP1_SNa";;;;;;;0.04;;-2.54;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM424011;MM424011;CN1CCC(=CCN)C=N1;AFJUNROXGLDSJI-UHFFFAOYSA-N;139.2;0.19;;;;;DOPC;MDCG;27;1;"MARTINI bead: SN0_SP1";;;;;;;0.34;;-3.76;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM424012;MM424012;C=CC(C=CCOC)NC;CBZVSWZMSYPWCR-UHFFFAOYSA-N;141.21;0.96;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_Na";;;;;;;0.87;;-3.6;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM424013;MM424013;CC1Cn2c1nc(=N)n2N;ITVKFSGSVYDQPX-UHFFFAOYSA-N;139.16;-1.01;;;;;DOPC;MDCG;27;1;"MARTINI bead: SP1_SP3";;;;;;;-1.93;;-8.15;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM424014;MM424014;CC=CC(C)=C(CN)CO;JWJPVJMTPUWYNL-UHFFFAOYSA-N;141.21;0.83;;;;;DOPC;MDCG;27;1;"MARTINI bead: C4_P1";;;;;;;1.37;;-1.8;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM424015;MM424015;CCCC1=CC(=NO)CO1;OKTOTLOXNVHOKT-UHFFFAOYSA-N;141.17;1.53;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC4_SNda";;;;;;;2.2;;0.49;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM424016;MM424016;C=CC=C1C=CC(F)CC1;MGDZJZPLUUVMEW-UHFFFAOYSA-N;138.19;2.79;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC4_SC2";;;;;;;4.16;;0.44;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM424017;MM424017;N#CC1(F)CC1C1CC1O;JAKJQVBRMBWJCD-UHFFFAOYSA-N;141.15;0.62;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP1_SNa";;;;;;;0.04;;-2.54;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM424018;MM424018;C=CC(C=COCC)NC;BJSZZVSIYNDVRD-UHFFFAOYSA-N;141.21;1.31;;;;;DOPC;MDCG;27;1;"MARTINI bead: Na_Nd";;;;;;;0.87;;-3.37;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM424019;MM424019;N=c1nc2n(n1O)CC2O;JVACZMFMBOVANU-UHFFFAOYSA-N;142.12;-1.55;;;;;DOPC;MDCG;27;1;"MARTINI bead: SP2_SP3";;;;;;;-2.2;;-8.17;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM424020;MM424020;C=CC(=CF)COC=NN;RZPDPGRWCBIPHC-UHFFFAOYSA-N;144.15;0.94;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_C4";;;;;;;1.37;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM424021;MM424021;CC(C=CF)=C(CN)CF;QWXJRKGYXLOWGY-UHFFFAOYSA-N;147.17;1.71;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nda_Na";;;;;;;0.87;;-4.14;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM424022;MM424022;C=CC1(F)CC1C1CC1F;SNVNMEXPYIBIMJ-UHFFFAOYSA-N;144.16;2.26;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNa_SC5";;;;;;;1.64;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM424023;MM424023;N#CC=C1C=CC(F)CC1;ZGZCXNVMOGQKKQ-UHFFFAOYSA-N;137.16;2.12;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC4_SC5";;;;;;;2.97;;0.45;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM424024;MM424024;CCOC=CC(C#N)NC;LHBUFIQELJNXPR-UHFFFAOYSA-N;140.19;0.65;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_P2";;;;;;;0.54;;-1.09;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM424025;MM424025;CC1Cn2c1cn(C)c2=N;NUJMXWPGIFLSQO-UHFFFAOYSA-N;137.19;0.42;;;;;DOPC;MDCG;27;1;"MARTINI bead: SP1_SP1";;;;;;;-0.79;;-7.26;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM424026;MM424026;C#CC(=CC)COC=NN;WPFYCDDVFLTEOT-UHFFFAOYSA-N;138.17;0.48;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4_P1";;;;;;;1.37;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM424027;MM424027;CC(C=CF)=C(CF)CF;XFNLNTAIZMASSP-UHFFFAOYSA-N;150.14;2.73;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_C4";;;;;;;2.97;;0.45;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM424028;MM424028;O=CC1(F)CC1C1CC1F;PDBLOCFTVSMHRQ-UHFFFAOYSA-N;146.14;1.27;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNa_SNa";;;;;;;0.87;;-2.22;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM424029;MM424029;C=CC=C1C=NN(C)CC1;WLOBEJJBJOAKIV-UHFFFAOYSA-N;136.2;1.42;;;;;DOPC;MDCG;27;0;"MARTINI bead: SN0_SN0";;;;;;;1.47;;-0.05;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM424030;MM424030;C=CC(C=CCCC)OC;GLPOKVCEHVKAMM-UHFFFAOYSA-N;140.23;2.54;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1_C5";;;;;;;3.68;;0.46;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM424031;MM424031;CC1Cn2c1cn(N)c2=N;YCQWIOYRJVPLDG-UHFFFAOYSA-N;138.17;-0.4;;;;;DOPC;MDCG;27;1;"MARTINI bead: SP1_SP2";;;;;;;-1.06;;-7.32;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM424032;MM424032;CC=CC(F)=C(CC)CC;YNWXTTXCHFIHNC-UHFFFAOYSA-N;142.22;3.61;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1_C4";;;;;;;4.24;;0.42;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM424033;MM424033;CCCc1cc(NO)no1;CIMQZUSLLFKBFP-UHFFFAOYSA-N;142.16;1.43;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC5_SNda";;;;;;;1.64;;0.05;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM424034;MM424034;N#CC1(F)CC1C1CC1F;PWCDTPSTAYCGLF-UHFFFAOYSA-N;143.14;1.6;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNa_SNa";;;;;;;0.87;;-2.22;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM424035;MM424035;CN1CCC(=CC#N)C=N1;ZHHQDDXFPJWHLN-UHFFFAOYSA-N;135.17;0.76;;;;;DOPC;MDCG;27;0;"MARTINI bead: SN0_SN0";;;;;;;1.47;;-0.05;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM424036;MM424036;CC1Cn2c1cn(C)c2=O;BNZAEDMZVIHZFD-UHFFFAOYSA-N;138.17;0.3;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP1_SP2";;;;;;;-1.06;;-3.82;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM424037;MM424037;C=CC(C=CCCN)OC;OLXBRFAMIMGSKB-UHFFFAOYSA-N;141.21;1.09;;;;;DOPC;MDCG;27;1;"MARTINI bead: Na_Nd";;;;;;;0.87;;-4.64;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM424038;MM424038;CCC(CN)=C(F)C=CF;FMTWGQFHWMKXTR-UHFFFAOYSA-N;147.17;2.06;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nda_C5";;;;;;;1.64;;-2.02;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM424039;MM424039;C#CC(=CF)COC=NN;HNVHDDLLAWFJIQ-UHFFFAOYSA-N;142.13;0.39;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_C5";;;;;;;0.81;;-0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM424040;MM424040;C=CC1(N)CC1C1NC1C;QHMGICBZDWPVDO-UHFFFAOYSA-N;138.21;0.25;;;;;DOPC;MDCG;27;1;"MARTINI bead: SP1_SNd";;;;;;;0.04;;-4.65;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM424041;MM424041;CN1C=NC(=CC#N)CC1;BAVUJUBXTUOTDU-UHFFFAOYSA-N;135.17;0.76;;;;;DOPC;MDCG;27;1;"MARTINI bead: SP1_SN0";;;;;;;0.34;;-3.48;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM424042;MM424042;CC1Cn2c1cn(N)c2=O;NWVLPMAJHYZJNW-UHFFFAOYSA-N;139.16;-0.52;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP1_SP3";;;;;;;-1.93;;-4.72;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM424043;MM424043;C=CC(C=CCCO)OC;GESWRWADGRZHDK-UHFFFAOYSA-N;142.2;1.13;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_Nda";;;;;;;0.87;;-1.99;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM424044;MM424044;CC=CC(F)=C(CN)CN;VXCKFBYEUUKAIC-UHFFFAOYSA-N;144.19;0.7;;;;;DOPC;MDCG;27;1;"MARTINI bead: C4_P3";;;;;;;0.23;;-3.11;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM424045;MM424045;CCNc1cc(NO)no1;YFYANQLRRVIMHM-UHFFFAOYSA-N;143.15;0.91;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNd_SNda";;;;;;;0.87;;-1.92;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM424046;MM424046;C#Cc1nc(=NN)n(N)o1;GQYSILJNTAMPLL-UHFFFAOYSA-N;139.12;-2.05;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP3_SP1";;;;;;;-1.93;;-4.72;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM424047;MM424047;C=CC1(C)CC1C1OC1C;DZXSAHDOYRAYLW-UHFFFAOYSA-N;138.21;1.99;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNa_SC4";;;;;;;2.2;;0.34;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM424048;MM424048;N=c1n(O)cc2n1CC2N;XEKGPIHAFOTDIX-UHFFFAOYSA-N;140.15;-0.98;;;;;DOPC;MDCG;27;1;"MARTINI bead: SP2_SP2";;;;;;;-1.34;;-5.85;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM424049;MM424049;CCCC=CC(C=O)OC;SVIQPMRPLWDUBE-UHFFFAOYSA-N;142.2;1.56;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1_P1";;;;;;;2.08;;0.48;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM424050;MM424050;CCNC1=NC(=NC)CN1;ACZLCDBAMLSPBQ-UHFFFAOYSA-N;140.19;-0.42;;;;;DOPC;MDCG;27;1;"MARTINI bead: SNd_SP2";;;;;;;-0.24;;-5.87;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM424051;MM424051;NCC(CN)=C(F)C=CF;LIGWLCXFFNDONO-UHFFFAOYSA-N;148.16;0.61;;;;;DOPC;MDCG;27;1;"MARTINI bead: P3_C5";;;;;;;-0.33;;-4.09;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM424052;MM424052;C#CC=C1C=CC(F)CC1;HYBZRYZJRZSDIW-UHFFFAOYSA-N;136.17;2.23;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC4_SC3";;;;;;;3.9;;0.47;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM424053;MM424053;CC1OC1C1CC1(C)C=O;DUQKDFYLDKXGJB-UHFFFAOYSA-N;140.18;1;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNa_SNa";;;;;;;0.87;;-2.22;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM424054;MM424054;Cc1c(N)cc2n1CC2C;WCOSAKAHNLTQHL-UHFFFAOYSA-N;136.2;1.5;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP1_SNd";;;;;;;0.04;;-2.63;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM424055;MM424055;CCCC=CC(C#N)OC;MWWQHGKAXRBPPX-UHFFFAOYSA-N;139.2;1.88;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1_P1";;;;;;;2.08;;0.48;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM424056;MM424056;CCNC1=NC(=NN)CN1;UGIDXRQGGKZORB-UHFFFAOYSA-N;141.18;-1.17;;;;;DOPC;MDCG;27;1;"MARTINI bead: SNd_SP3";;;;;;;-1.1;;-6.21;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM424057;MM424057;NCC(CF)=C(F)C=CF;ANEHIIZXWRGFLW-UHFFFAOYSA-N;151.13;1.62;;;;;DOPC;MDCG;27;1;"MARTINI bead: Na_Nda";;;;;;;0.87;;-4.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM424058;MM424058;CC1OC1C1CC1(C)C#N;SCTLRBWOLHCJED-UHFFFAOYSA-N;137.18;1.32;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNa_SN0";;;;;;;1.17;;-1.18;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM424059;MM424059;C#CC=C1C=CC(C)NC1;FNNXKUFWGPKDGG-UHFFFAOYSA-N;133.19;1.09;;;;;DOPC;MDCG;27;1;"MARTINI bead: SNd_SN0";;;;;;;1.17;;-2.83;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM424060;MM424060;Cc1c(O)cc2n1CC2C;PVHUYHKMTBVWTC-UHFFFAOYSA-N;137.18;1.62;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP1_SNda";;;;;;;0.04;;-2.73;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM424061;MM424061;COC(C=O)C=CCCF;KRNRRIZSYCTFJQ-UHFFFAOYSA-N;146.16;1.12;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_C5";;;;;;;0.81;;-0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM424062;MM424062;C=CCC1=CC(=CC)CC1;GAWCHTYQMYPGLB-UHFFFAOYSA-N;134.22;3.23;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC3_SC3";;;;;;;4.27;;0.2;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM424063;MM424063;C#CCOC(=NN)OC=O;ZVYSDKRPHJTHPL-UHFFFAOYSA-N;142.11;-0.96;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_N0";;;;;;;0.06;;-2.21;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM424064;MM424064;C#CC=C1C=NN(C)CC1;UFBTUNBPODVTAQ-UHFFFAOYSA-N;134.18;0.87;;;;;DOPC;MDCG;27;0;"MARTINI bead: SN0_SN0";;;;;;;1.47;;-0.05;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM424065;MM424065;C=CC1(N)CC1C1OC1C;IUAIYJYPBGOBSU-UHFFFAOYSA-N;139.2;0.68;;;;;DOPC;MDCG;27;1;"MARTINI bead: SNa_SNd";;;;;;;0.87;;-4.16;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM424066;MM424066;CC1Cn2c1cc(O)c2N;XAHGEUUFNKFBDM-UHFFFAOYSA-N;138.17;0.89;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP1_SP1";;;;;;;-0.79;;-3.13;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM424067;MM424067;COC(C#N)C=CCCF;JHLYVDAOBIPLNX-UHFFFAOYSA-N;143.16;1.44;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_C5";;;;;;;0.81;;-0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM424068;MM424068;CC=C1C=C(CC=O)CC1;USRXEDZZFMZVRZ-UHFFFAOYSA-N;136.19;2.24;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC3_SN0";;;;;;;2.87;;0.37;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM424069;MM424069;CCC(CN)=C(C)C=NO;VPUJLKPSOCBDIS-UHFFFAOYSA-N;142.2;1.13;;;;;DOPC;MDCG;27;1;"MARTINI bead: C5_P1";;;;;;;0.81;;-2.66;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM424070;MM424070;C=CC1(O)CC1C1OC1C;OHGXXKZAEBZQJN-UHFFFAOYSA-N;140.18;0.71;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNa_SNda";;;;;;;0.87;;-1.99;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM424071;MM424071;C=CC(C=CCNC)OC;TUSPZIMBLIZDKY-UHFFFAOYSA-N;141.21;0.96;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_Na";;;;;;;0.87;;-4.22;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM424072;MM424072;CC1Cn2c1cc(N)c2O;UPUJMVFZDFFZAX-UHFFFAOYSA-N;138.17;0.89;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP1_SP1";;;;;;;-0.79;;-3.13;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM424073;MM424073;C=C1C=CC(=CCC)CC1;OETAADPDIUFDAJ-UHFFFAOYSA-N;134.22;3.23;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC1_SC3";;;;;;;4.61;;0.31;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM424074;MM424074;CC=C1C=C(CC#N)CC1;XQKOFZDDCABZEX-UHFFFAOYSA-N;133.19;2.57;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC3_SC5";;;;;;;3.34;;0.48;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM424075;MM424075;CC1OC1C1CC1(O)C#N;PAGWMGYISYZVNS-UHFFFAOYSA-N;139.15;0.05;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNa_SP2";;;;;;;-0.24;;-3.24;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM424076;MM424076;CCC(CF)=C(C)C=NN;SZWHYKIUFUCORO-UHFFFAOYSA-N;144.19;1.63;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1_P1";;;;;;;2.08;;0.48;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM424077;MM424077;C=CC(C=CCOC)OC;ITZMFDVGCURYEC-UHFFFAOYSA-N;142.2;1.39;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_Na";;;;;;;0.87;;-2.22;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM424078;MM424078;C=C1C=CC(=CCN)CC1;WEYGAVVCHVENPY-UHFFFAOYSA-N;135.21;1.78;;;;;DOPC;MDCG;27;1;"MARTINI bead: SC5_SC3";;;;;;;3.34;;0.58;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM424079;MM424079;Oc1cc2n(c1O)CC2O;LTMUMTRUICMSTE-UHFFFAOYSA-N;141.13;-0.05;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP2_SP1";;;;;;;-1.06;;-3.82;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM424080;MM424080;C=CCC1=CC(=CF)CC1;FINCARGVGOAOTH-UHFFFAOYSA-N;138.19;3.14;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC4_SC3";;;;;;;3.9;;0.47;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM424081;MM424081;C=CC1(F)CC1C1OC1C;MGURDLNFGYAFSE-UHFFFAOYSA-N;142.17;1.69;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNa_SC5";;;;;;;1.64;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM424082;MM424082;COCC=CC(C#N)OC;IHUUXSRSHYDXFU-UHFFFAOYSA-N;141.17;0.73;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_Na";;;;;;;0.87;;-2.22;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM424083;MM424083;CCC(CF)=C(C)C=NO;PERUSWJOGUEIPD-UHFFFAOYSA-N;145.18;2.14;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1_P1";;;;;;;2.08;;0.48;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM424084;MM424084;CC1Cc2c(N)c(N)cn21;XNZKONPKGWMKPR-UHFFFAOYSA-N;137.19;0.77;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP1_SP1";;;;;;;-0.79;;-3.13;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM424085;MM424085;CCC=C1C=CC(=O)CC1;WCJSDDLCJBVPKY-UHFFFAOYSA-N;136.19;2.24;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC1_SNa";;;;;;;2.91;;0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM424086;MM424086;N#CCC1=CC(=CF)CC1;CHYGMNDBLCQPTL-UHFFFAOYSA-N;137.16;2.47;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC4_SC5";;;;;;;2.97;;0.45;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM424087;MM424087;CC1OC1C1CC1(F)C=O;LDRDLTLDIPWVJP-UHFFFAOYSA-N;144.15;0.7;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNa_SNa";;;;;;;0.87;;-2.22;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM424088;MM424088;C=CC(C=COCC)OC;RLAMNXJACRMLID-UHFFFAOYSA-N;142.2;1.74;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_Na";;;;;;;1.64;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM424089;MM424089;CC1Cc2c(N)c(O)cn21;LEBUQIAXWVWRKB-UHFFFAOYSA-N;138.17;0.89;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP1_SP1";;;;;;;-0.79;;-3.13;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM424090;MM424090;Cc1cnc(=NN)n(N)n1;GZUZPRMZRVUFJT-UHFFFAOYSA-N;140.15;-1.93;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP2_SP3";;;;;;;-2.2;;-5.19;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM424091;MM424091;CC(C=NO)=C(CN)CF;XEOVXXNQPAZSKS-UHFFFAOYSA-N;146.17;0.69;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1_Nda";;;;;;;0.04;;-4.63;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM424092;MM424092;C=CC(=NN)OC=CCC;VGVSSXXCHDRDGZ-UHFFFAOYSA-N;140.19;1.38;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_Nd";;;;;;;1.64;;0.02;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM424093;MM424093;CCOC=CC(C=O)OC;UOQDMYZJSLWGHT-UHFFFAOYSA-N;144.17;0.75;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_P1";;;;;;;0.81;;-0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM424094;MM424094;CC1OC1C1CC1(F)C#N;HUFMUJMJVQVFLO-UHFFFAOYSA-N;141.15;1.03;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNa_SNa";;;;;;;0.87;;-2.22;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM424095;MM424095;CC1Cc2c(O)c(N)cn21;ZMZWUMQDWXFXSK-UHFFFAOYSA-N;138.17;0.89;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP1_SP1";;;;;;;-0.79;;-3.13;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM424096;MM424096;CONc1ccc(=O)[nH]n1;ARTCNIYWCDEUFG-UHFFFAOYSA-N;141.13;-0.26;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP1_SP3";;;;;;;-1.93;;-4.72;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM424097;MM424097;C=CC(=NN)OC=CCF;NXPAWVQJQLARAT-UHFFFAOYSA-N;144.15;0.94;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nd_Na";;;;;;;0.87;;-1.88;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM424098;MM424098;CCC(CC)=C(F)C=NO;XYTQJHQUUYYYFE-UHFFFAOYSA-N;145.18;2.49;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1_P1";;;;;;;2.08;;0.5;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM424099;MM424099;CCOC=CC(C#N)OC;AFQUBVQFOILTEC-UHFFFAOYSA-N;141.17;1.08;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_Na";;;;;;;0.87;;-2.22;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM424100;MM424100;CC1CC1C1NC1(C)C=O;MOAPTGQAWXIMJU-UHFFFAOYSA-N;139.2;0.57;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC5_SP2";;;;;;;0.54;;-1.09;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM424101;MM424101;Cc1cn2c(c1F)CC2C;HGWXOOKVVATZJY-UHFFFAOYSA-N;139.17;2.05;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP1_SNa";;;;;;;0.04;;-2.54;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM424102;MM424102;NN=c1ncc(F)nn1N;OYFPWOOELHGYSO-UHFFFAOYSA-N;144.11;-2.09;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP3_SP1";;;;;;;-1.93;;-4.72;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM424103;MM424103;N#CCC1=CC(=NO)CC1;ATYKGYSVRQESDV-UHFFFAOYSA-N;136.15;1.45;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNda_SC5";;;;;;;1.64;;0.05;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM424104;MM424104;CNC(CN)=C(C)C=NO;WUDGXZVPSMLENT-UHFFFAOYSA-N;143.19;-0.1;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1_P1";;;;;;;-0.79;;-4.49;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM424105;MM424105;C=CC(C=NNCC)CC;NYUUNKIQDIXEJW-UHFFFAOYSA-N;140.23;1.79;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_C1";;;;;;;2.08;;0.48;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM424106;MM424106;CC1CC1C1NC1(C)C#N;YHXQWQICQOLMBZ-UHFFFAOYSA-N;136.2;0.9;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC5_SP1";;;;;;;0.81;;-0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM424107;MM424107;CC1Cc2c(F)c(N)cn21;OTCMEVUWHFCTKT-UHFFFAOYSA-N;140.16;1.33;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP1_SNda";;;;;;;0.04;;-2.73;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM424108;MM424108;CON=c1ncc(N)no1;VQQYPOXZCSBXGQ-UHFFFAOYSA-N;142.12;-0.89;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP3_SP3";;;;;;;-3.07;;-6.15;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM424109;MM424109;CN=C(CF)C(C)=CNN;FLPBXAIUKOUAOF-UHFFFAOYSA-N;145.18;0.39;;;;;DOPC;MDCG;27;1;"MARTINI bead: Na_Nd";;;;;;;0.87;;-4.11;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM424110;MM424110;CC=C1C=C(NC=N)CC1;BPPQBOGGXPDAFI-UHFFFAOYSA-N;136.2;1.81;;;;;DOPC;MDCG;27;1;"MARTINI bead: SC3_SNd";;;;;;;2.57;;-2.28;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM424111;MM424111;CC(C)C1(C)C(C)C1O;PPOXSYPKRNUPPY-UHFFFAOYSA-N;128.22;1.66;;;;;DOPC;MDCG;27;0;"MARTINI bead: C3_SNda";;;;;;;2.57;;0.44;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM424112;MM424112;C=CC1(C)NC1C1CC1N;YGDMQWXXRARRDY-UHFFFAOYSA-N;138.21;0.25;;;;;DOPC;MDCG;27;1;"MARTINI bead: SP1_SP1";;;;;;;-0.79;;-5.43;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM424113;MM424113;CC(=N)n1oc(O)nc1=N;JAATWAJJYDJJTF-UHFFFAOYSA-N;142.12;-0.49;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP2_SP1";;;;;;;-1.06;;-8.69;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM424114;MM424114;CC1Cc2c1cn(C)c2N;KNXDTYPNPXPGQQ-UHFFFAOYSA-N;136.2;1.27;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC4_SNd";;;;;;;2.2;;0.32;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM424115;MM424115;CN=C(CF)C(C)=CNO;YRDNCXGRDMGTNM-UHFFFAOYSA-N;146.17;0.91;;;;;DOPC;MDCG;27;1;"MARTINI bead: Na_Nda";;;;;;;0.87;;-3.91;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM424116;MM424116;CC=C1C=C(NC=O)CC1;KEPSOVDGWRPVMP-UHFFFAOYSA-N;137.18;1.36;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC3_SNda";;;;;;;2.57;;0.44;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM424117;MM424117;Cn1nnc(N)c1N;AMGJKGBCDLPVSP-UHFFFAOYSA-N;113.12;-1.02;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP2_SP2";;;;;;;-1.34;;-4.31;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM424118;MM424118;CNN=COC(=O)OC;YSTDRSPBTXSXCE-UHFFFAOYSA-N;132.12;-0.07;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_Na";;;;;;;-0.24;;-3.24;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM424119;MM424119;CC1Cc2c1cn(N)c2F;GQXDHNWKFOZSRJ-UHFFFAOYSA-N;140.16;1;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC4_SNda";;;;;;;2.2;;0.49;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM424120;MM424120;CCN=c1nnc(=O)[nH]o1;NTFNHAWVAUKXOP-UHFFFAOYSA-N;142.12;-1.32;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP3_SP2";;;;;;;-2.2;;-5.19;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM424121;MM424121;N=CNC1=CC(=CF)CC1;LTLBKUHNDCKDQY-UHFFFAOYSA-N;140.16;1.71;;;;;DOPC;MDCG;27;1;"MARTINI bead: SC4_SNd";;;;;;;2.2;;-2.91;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM424122;MM424122;CCC(OC)=C(C)C=CF;YSZBYZIKZAYCSW-UHFFFAOYSA-N;144.19;2.8;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1_C5";;;;;;;3.68;;0.46;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM424123;MM424123;C=CCC1NC1C=O;HRYOXKQJCGFORX-UHFFFAOYSA-N;111.14;0.1;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4_SP2";;;;;;;1.09;;-0.37;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM424124;MM424124;Cc1c2c(cn1C)C(C)N2;ULUXKOQWAHVCLM-UHFFFAOYSA-N;136.2;1.82;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNd_SC5";;;;;;;1.64;;0.02;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM424125;MM424125;CNN=c1nnc(=O)[nH]o1;ILKTWUVTFLYDGV-UHFFFAOYSA-N;143.11;-2.21;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP3_SP2";;;;;;;-2.2;;-5.19;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM424126;MM424126;CCC1C(O)C1(C)CC;VTUGUXXPHQMRNY-UHFFFAOYSA-N;128.22;1.8;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_SNda";;;;;;;1.64;;0.05;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM424127;MM424127;N=CNC1=CC(=NN)CC1;LBNMXNPNVWBUCB-UHFFFAOYSA-N;138.17;0.18;;;;;DOPC;MDCG;27;1;"MARTINI bead: SNd_SNd";;;;;;;0.87;;-5.38;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM424128;MM424128;CC=CC(C)=C(CO)OC;NAAMKDPRDNOGFP-UHFFFAOYSA-N;142.2;1.48;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda_C4";;;;;;;2.2;;0.49;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM424129;MM424129;CC1(C=O)NC1C1CC1F;HSSXYMRZBXJQBS-UHFFFAOYSA-N;143.16;0.27;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP2_SNa";;;;;;;-0.24;;-3.24;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM424130;MM424130;Cn1cnc(N)nc1=O;RHJJMHTYURSZGB-UHFFFAOYSA-N;126.12;-1.24;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP3_SP1";;;;;;;-1.93;;-4.72;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM424131;MM424131;C=C(C)CC(C#N)=NOC;YJNOJMUJQGFWPL-UHFFFAOYSA-N;138.17;1.48;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_C4";;;;;;;1.37;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM424132;MM424132;C=CC(=NN)OC=COC;SZNFOLKHCADKAV-UHFFFAOYSA-N;142.16;0.58;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_Nda";;;;;;;0.87;;-1.99;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM424133;MM424133;C=CC=C1C=CC(=C)CC1;DNRRJHWOGOHESP-UHFFFAOYSA-N;132.21;3.01;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC2_SC3";;;;;;;4.53;;0.32;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM424134;MM424134;COC(CF)=C(C)C=NN;SXDMPILTALODEH-UHFFFAOYSA-N;146.17;0.82;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4_P1";;;;;;;1.37;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM424135;MM424135;CC1NC1C1NC1(C)C#N;SBGZAGSDXQXGBE-UHFFFAOYSA-N;137.19;-0.4;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP1_SP1";;;;;;;-0.79;;-3.13;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM424136;MM424136;C=CC(C=NOCC)CC;XKRLCPZZNGVAIZ-UHFFFAOYSA-N;141.21;2.22;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_C1";;;;;;;2.08;;0.48;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM424137;MM424137;C=C1C=CC(=CC=O)CC1;KLPVHFVMKSJKGA-UHFFFAOYSA-N;134.18;2.02;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC3_SC5";;;;;;;3.34;;0.48;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM424138;MM424138;Cc1c2c(cn1O)C(C)N2;KCZXMPZPYOJOJH-UHFFFAOYSA-N;138.17;1.52;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNd_SNda";;;;;;;0.87;;-1.92;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM424139;MM424139;N=CNC1=CC(=NO)CC1;UNAAGYMNJZVAEY-UHFFFAOYSA-N;139.16;0.69;;;;;DOPC;MDCG;27;1;"MARTINI bead: SNda_SNd";;;;;;;0.87;;-5.1;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM424140;MM424140;CCC(OC)=C(F)C=NN;CAEOLMSIRUXJCD-UHFFFAOYSA-N;146.17;1.17;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4_P1";;;;;;;1.37;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM424141;MM424141;CCON=CC(C#N)CC;DIZIGJAGCQRIHV-UHFFFAOYSA-N;140.19;1.56;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_C5";;;;;;;0.81;;-0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM424142;MM424142;C=C1C=CC(=CC#N)CC1;MYPYWLCIXZEEJY-UHFFFAOYSA-N;131.18;2.34;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC3_SC5";;;;;;;3.34;;0.48;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM424143;MM424143;C=CC1(C)NC1C1OC1C;ZIGLYEYZOKMCDX-UHFFFAOYSA-N;139.2;0.69;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNa_SP1";;;;;;;0.04;;-2.54;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM424144;MM424144;C#CCC(F)C=NNCC;WSLKXEPVUKUUEY-UHFFFAOYSA-N;142.18;0.94;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nd_Na";;;;;;;0.87;;-1.88;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM424145;MM424145;C=CC(=NN)OC=NOC;RDIYLGKLSNMGHR-UHFFFAOYSA-N;143.15;0.05;;;;;DOPC;MDCG;27;0;"MARTINI bead: N0_P1";;;;;;;0.34;;-1.53;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM424146;MM424146;C=CC=C(C#N)CNN=C;ABDQPUUEKAZNBB-UHFFFAOYSA-N;135.17;0.83;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_P2";;;;;;;0.54;;-1.09;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM424147;MM424147;CC1OC1C1NC1(C)C#N;JURQELZZXCPMJG-UHFFFAOYSA-N;138.17;0.03;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNa_SP1";;;;;;;0.04;;-2.54;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM424148;MM424148;C=CC(C=NOCC)CF;BTTAXLKSBFYGLR-UHFFFAOYSA-N;145.18;1.78;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_C4";;;;;;;1.37;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM424149;MM424149;C=CC=C1C=CC(=O)CC1;OSUQAKLCBCSMSI-UHFFFAOYSA-N;134.18;2.02;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC2_SNa";;;;;;;2.83;;0.35;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM424150;MM424150;CC=NNCC(C)C(C)=O;IEKKJSIVMSPDLJ-UHFFFAOYSA-N;142.2;0.81;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nd_Na";;;;;;;0.87;;-1.88;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM424151;MM424151;C=COC1=CC(=CC)CC1;IYLAKYXNWGQKIH-UHFFFAOYSA-N;136.19;2.77;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC3_SC4";;;;;;;3.9;;0.47;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM424152;MM424152;CNC=C(C#N)C=NNC;KIMIRAUIEGRCLX-UHFFFAOYSA-N;138.17;-0.18;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nd_P2";;;;;;;-0.24;;-3.16;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM424153;MM424153;CC1CC1C1OC1(C)C=O;ZUAXKVWCQAQUAX-UHFFFAOYSA-N;140.18;1;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC5_SP1";;;;;;;0.81;;-0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM424155;MM424155;N=c1nc(N)on1C=O;JJRLWVGBMSXNGQ-UHFFFAOYSA-N;128.09;-1.42;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP1_SP3";;;;;;;-1.93;;-4.72;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM424154;MM424154;CCCC(=O)CC1CN1C;GNNNYNRZEARJDD-UHFFFAOYSA-N;141.21;1.06;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_SP1";;;;;;;0.04;;-2.54;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM424156;MM424156;O=CNc1ccc(=O)[nH]n1;PHQPQCWICKNKSB-UHFFFAOYSA-N;139.11;-0.66;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP1_SP3";;;;;;;-1.93;;-4.72;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM424157;MM424157;C=COC1=CC(=CF)CC1;BNTFFVOSDAQSPU-UHFFFAOYSA-N;140.16;2.68;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC4_SC4";;;;;;;3.53;;0.53;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM424158;MM424158;CNC(C#N)CNCC=O;SJFNQRSBLGODKM-UHFFFAOYSA-N;141.17;-1.11;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_P2";;;;;;;-1.34;;-4.31;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM424159;MM424159;CC1CC1C1OC1(C)C#N;OMGCVCIHQHOPHF-UHFFFAOYSA-N;137.18;1.32;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC5_SNa";;;;;;;1.64;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM424160;MM424160;Cc1c2c(cn1C)C(C)O2;PECWWQYWUBXUQN-UHFFFAOYSA-N;137.18;1.79;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNa_SC5";;;;;;;1.64;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM424161;MM424161;CCCC=CN(C=N)CC;BOGVNAAZIHLEFT-UHFFFAOYSA-N;140.23;2.23;;;;;DOPC;MDCG;27;1;"MARTINI bead: C1_P2";;;;;;;1.8;;-2.67;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM424162;MM424162;C=NNc1ccc(=O)[nH]n1;WZVUIMKWGGVTQY-UHFFFAOYSA-N;138.13;-0.2;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP1_SP2";;;;;;;-1.06;;-3.82;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM424163;MM424163;C=CC(=NN)OC=NN=C;LSDBVQXDRPEOQN-UHFFFAOYSA-N;140.15;0.11;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda_N0";;;;;;;1.17;;-1.13;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM424164;MM424164;C=CC(CC)=C(C)C=CC;VYBIFAWWADLAFK-UHFFFAOYSA-N;136.24;3.48;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1_C4";;;;;;;4.24;;0.42;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM424165;MM424165;C=CC1(C)OC1C1CC1N;NTSMVBTZGWSQDJ-UHFFFAOYSA-N;139.2;0.68;;;;;DOPC;MDCG;27;1;"MARTINI bead: SNa_SP1";;;;;;;0.04;;-5.09;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM424166;MM424166;Cc1nnc(=NN)n(C)n1;MCWJZEXTIYWNIJ-UHFFFAOYSA-N;140.15;-1.71;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP2_SP3";;;;;;;-2.2;;-5.19;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM424167;MM424167;CCC(C=O)NN(C)C=O;COBMNQITBQRLRF-UHFFFAOYSA-N;144.17;-0.44;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_P4";;;;;;;-0.41;;-2.78;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM424168;MM424168;CCCC=CN(C=O)CC;UBGAPJGLHLEOTJ-UHFFFAOYSA-N;141.21;1.78;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1_P1";;;;;;;2.08;;0.48;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM424169;MM424169;C=COC1=CC(=NO)CC1;BMLVPXMMQNFTLT-UHFFFAOYSA-N;139.15;1.65;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNda_SC4";;;;;;;2.2;;0.49;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM424170;MM424170;C=CC(CC)=C(C)C=CF;KADYLCKSOZPKNB-UHFFFAOYSA-N;140.2;3.38;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1_C5";;;;;;;3.68;;0.46;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM424171;MM424171;C=CC1(C)OC1C1CC1O;GXCQJJFVDNJXOE-UHFFFAOYSA-N;140.18;0.71;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNa_SP1";;;;;;;0.04;;-2.54;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM424172;MM424172;C#CC12CC1N=C(C#N)N2;KSFJLDJHELVMKE-UHFFFAOYSA-N;131.14;-0.34;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC5_SP1";;;;;;;0.81;;-0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM424173;MM424173;CCN(C=O)C=CCCF;GYWTUINGHRLNLF-UHFFFAOYSA-N;145.18;1.34;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_C5";;;;;;;0.81;;-0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM424174;MM424174;N=CN(C=O)NC(=N)C=O;CTYUJZXGKNFCTJ-UHFFFAOYSA-N;142.12;-1.27;;;;;DOPC;MDCG;27;0;"MARTINI bead: P4_P2";;;;;;;-2.29;;-5.95;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM424175;MM424175;CC=CC(C)=C(C#N)CC;HKLYZZULUCKRSX-UHFFFAOYSA-N;135.21;2.81;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4_C4";;;;;;;3.53;;0.53;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM424176;MM424176;C=CCC1=CC(=NC)NC1;LEKOJWAEAPJBRF-UHFFFAOYSA-N;136.2;1.12;;;;;DOPC;MDCG;27;1;"MARTINI bead: SNd_SN0";;;;;;;1.17;;-4.27;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM424177;MM424177;CC1(C#N)OC1C1CC1O;CAQNFCCWZUJPPP-UHFFFAOYSA-N;139.15;0.05;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNa_SP1";;;;;;;0.04;;-2.54;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM424178;MM424178;CCC1=NC(=CO)N=N1;XJCLIXNCQWMGRB-UHFFFAOYSA-N;125.13;1.62;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC5_SNda";;;;;;;1.64;;-5;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM424179;MM424179;CC=NOCCC(=O)CC;IJGVAIOUULDDLY-UHFFFAOYSA-N;143.19;1.38;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_Na";;;;;;;0.87;;-2.22;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM424180;MM424180;CCOC=CN(C=N)CC;LJTQESBCYBVXRE-UHFFFAOYSA-N;142.2;1.42;;;;;DOPC;MDCG;27;1;"MARTINI bead: Na_Nd";;;;;;;0.87;;-4.56;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM424181;MM424181;CCN(C=O)N=CNNC;IWUFGWTXKMDKIU-UHFFFAOYSA-N;144.18;-0.87;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_P2";;;;;;;-1.34;;-4.31;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM424182;MM424182;CN=C1C=C(CC=O)CN1;ICPORCAZWCHGMF-UHFFFAOYSA-N;138.17;0.13;;;;;DOPC;MDCG;27;1;"MARTINI bead: SNd_SP1";;;;;;;0.04;;-5.82;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM424183;MM424183;C=CC12CC(O)C(C)C1C2;CKAIGMMCVUTFLX-UHFFFAOYSA-N;138.21;1.58;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNda_SC4";;;;;;;2.2;;0.49;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM424184;MM424184;C=CC1(C)OC1C1CC1F;NMDCWDZVXLMTIQ-UHFFFAOYSA-N;142.17;1.69;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNa_SNa";;;;;;;0.87;;-2.22;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM424185;MM424185;CC1Oc2c1cn(C)c2O;XZUDWIDJAIUFKK-UHFFFAOYSA-N;139.15;1.18;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNa_SNda";;;;;;;0.87;;-1.99;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM424186;MM424186;CCOC=CN(C=O)CC;PFTDOGKTCIFUPC-UHFFFAOYSA-N;143.19;0.97;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_P1";;;;;;;0.81;;-0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM424187;MM424187;C#CCON=C(C=O)CF;ZFTAWXCOAGLEAR-UHFFFAOYSA-N;143.12;0.16;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_N0";;;;;;;0.34;;-1.53;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM424188;MM424188;CC1NC1C1OC1(C)C#N;KEGXFCLENDJWOK-UHFFFAOYSA-N;138.17;0.03;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP1_SNa";;;;;;;0.04;;-2.54;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM424189;MM424189;C=Cn1nnc(C#N)c1O;FBSFWAVHPPPUMR-UHFFFAOYSA-N;136.11;-0.04;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP1_SP1";;;;;;;-0.79;;-8.22;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM424190;MM424190;CN=C1C=C(CC#N)CN1;AZTNGESJYNEMRW-UHFFFAOYSA-N;135.17;0.46;;;;;DOPC;MDCG;27;1;"MARTINI bead: SNd_SP1";;;;;;;0.04;;-5.75;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM424191;MM424191;CCCC=CN(C=N)NC;FRXDLOWSJIQJAK-UHFFFAOYSA-N;141.22;1.34;;;;;DOPC;MDCG;27;1;"MARTINI bead: C1_P4";;;;;;;0.85;;-3.09;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM424192;MM424192;CN1Cc2c1cn(C)c2O;VWNIRXONXDOXFQ-UHFFFAOYSA-N;138.17;0.68;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP1_SNda";;;;;;;0.04;;-2.73;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM424193;MM424193;C=CC(CF)=C(C)C=CF;LMKUNCXJQIDDEI-UHFFFAOYSA-N;144.16;2.94;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_C3";;;;;;;3.34;;0.48;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM424194;MM424194;C=CC1(C)OC1C1OC1C;FJFGXIBUFGCVQI-UHFFFAOYSA-N;140.18;1.12;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNa_SNa";;;;;;;0.87;;-2.22;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM424195;MM424195;N=CN=c1nnc(=O)[nH]o1;BBTVSJLABDRRAX-UHFFFAOYSA-N;141.09;-1.73;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP3_SP3";;;;;;;-3.07;;-6.15;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM424196;MM424196;CNN(C=N)C=CCCN;OHVGRPWBLLELQZ-UHFFFAOYSA-N;142.21;-0.11;;;;;DOPC;MDCG;27;1;"MARTINI bead: P4_Nd";;;;;;;-1.19;;-7.55;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM424197;MM424197;C#CC=COC(C=C)=NN;LHVWMHAEVJIDGZ-UHFFFAOYSA-N;136.15;0.61;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda_N0";;;;;;;1.17;;-1.13;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM424198;MM424198;CN1Cc2c1cn(N)c2O;SRCTWMVOIRLJCN-UHFFFAOYSA-N;139.16;-0.14;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP1_SNda";;;;;;;0.04;;-2.73;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM424200;MM424200;CC(C=CF)=C(C=O)CF;WHBOXQWJXZMBPV-UHFFFAOYSA-N;146.14;1.95;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_Na";;;;;;;1.64;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM424199;MM424199;CC1OC1C1OC1(C)C#N;CTNGKINQFYDVAV-UHFFFAOYSA-N;139.15;0.45;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNa_SNa";;;;;;;0.87;;-2.22;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM424201;MM424201;O=CN=c1nnc(=O)[nH]o1;SXAOAFJAHCEBOW-UHFFFAOYSA-N;142.07;-2.19;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP3_SP2";;;;;;;-2.2;;-5.19;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM424202;MM424202;CCC#CCC(=NN)OC;YUZYDHYLOLUGQP-UHFFFAOYSA-N;140.19;0.71;;;;;DOPC;MDCG;27;0;"MARTINI bead: C3_P1";;;;;;;1.74;;0.29;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM424203;MM424203;CN1Cc2c1cn(C)c2F;GLMIQCWUKDVXJH-UHFFFAOYSA-N;140.16;1.11;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP1_SNa";;;;;;;0.04;;-2.54;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM424204;MM424204;CNN(C=N)C=CCCO;OPKPAUWZHNQUAK-UHFFFAOYSA-N;143.19;-0.07;;;;;DOPC;MDCG;27;1;"MARTINI bead: P4_Nda";;;;;;;-1.19;;-7.33;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM424205;MM424205;CC=CC(N)=C(C=O)CC;GKDXGXHSKIHGIL-UHFFFAOYSA-N;139.2;1.38;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda_C4";;;;;;;2.2;;0.49;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM424206;MM424206;CN1CC1C1CC1(C)C=O;BMXJOTKIWSKIJL-UHFFFAOYSA-N;139.2;0.53;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP1_SNa";;;;;;;0.04;;-2.54;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM424207;MM424207;CN=C1C=C(NC=N)CN1;IUQUXNIKWLIVBY-UHFFFAOYSA-N;138.17;-0.3;;;;;DOPC;MDCG;27;1;"MARTINI bead: SNd_SP2";;;;;;;-0.24;;-6.19;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM424208;MM424208;C=NN=c1nnc(=O)[nH]o1;PQKCTSBSYBHTQR-UHFFFAOYSA-N;141.09;-1.73;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP3_SP1";;;;;;;-1.93;;-4.72;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM424209;MM424209;CNN(C=N)C=CCCF;IRNWQCQXECFEBI-UHFFFAOYSA-N;145.18;0.9;;;;;DOPC;MDCG;27;1;"MARTINI bead: P4_C5";;;;;;;-0.41;;-5.28;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM424210;MM424210;CN1Cc2c1cn(N)c2F;LJFJMBRCTZTUCJ-UHFFFAOYSA-N;141.15;0.29;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP1_SNda";;;;;;;0.04;;-2.73;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM424211;MM424211;CN=C1C=C(NC=O)CN1;GSKOLEZWWHHEKS-UHFFFAOYSA-N;139.16;-0.75;;;;;DOPC;MDCG;27;1;"MARTINI bead: SNd_SP2";;;;;;;-0.24;;-5.67;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM424212;MM424212;CN1CC1C1CC1(C)C#N;PRMLCKLECGMMFU-UHFFFAOYSA-N;136.2;0.85;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP1_SN0";;;;;;;0.34;;-1.53;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM424213;MM424213;CC=CC(N)=C(C#N)CC;IYWLIWHKYYAJOK-UHFFFAOYSA-N;136.2;1.71;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nd_C4";;;;;;;2.2;;0.32;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM424214;MM424214;C#CC=C1C=CC(=C)CC1;OZBNTRMNSJGTCT-UHFFFAOYSA-N;130.19;2.45;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC3_SC3";;;;;;;4.27;;0.2;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM424215;MM424215;CCCC=CN(C=O)NC;CIVINOXUQVZIAA-UHFFFAOYSA-N;142.2;0.89;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1_P4";;;;;;;0.85;;-0.64;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM424216;MM424216;C=CC(F)C=NNCC#N;BBTYRCIPXMGEES-UHFFFAOYSA-N;141.15;0.61;;;;;DOPC;MDCG;27;0;"MARTINI bead: N0_Nda";;;;;;;1.17;;-1.13;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM424217;MM424217;CC=CC(N)=C(C=O)CO;GMKFFXJVCKPTHR-UHFFFAOYSA-N;141.17;-0.03;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nd_P2";;;;;;;-0.24;;-3.16;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM424218;MM424218;C=CC1(N)CC1C1CN1C;NERWSUSLJBPOKW-UHFFFAOYSA-N;138.21;0.2;;;;;DOPC;MDCG;27;1;"MARTINI bead: SP1_SNd";;;;;;;0.04;;-4.64;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM424219;MM424219;N=CNC1=CC(=NN)NC1;VAILXZCYDUYVME-UHFFFAOYSA-N;139.16;-1.06;;;;;DOPC;MDCG;27;1;"MARTINI bead: SP1_SP2";;;;;;;-1.06;;-6.65;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM424220;MM424220;CNN(C=O)C=CCCF;XKEISNZQUWDINB-UHFFFAOYSA-N;146.17;0.45;;;;;DOPC;MDCG;27;0;"MARTINI bead: P3_C5";;;;;;;-0.33;;-2.01;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM424221;MM424221;C#CC=C1C=CC(=O)CC1;WOGLSNWUVAAACT-UHFFFAOYSA-N;132.16;1.47;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNa_SC3";;;;;;;2.57;;0.45;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM424222;MM424222;C#CC(NN=C)C(=C)C#N;PRBPQVPHCCCRAB-UHFFFAOYSA-N;133.15;0.27;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_N0";;;;;;;0.34;;-1.53;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM424223;MM424223;CC1C(C)(C)CC1(C)O;YWLNOAOAJGOQNI-UHFFFAOYSA-N;128.22;1.8;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC3_SNda";;;;;;;2.57;;0.44;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM424224;MM424224;N=CNC1=CC(=NO)NC1;JAZVSPDFNYYSHK-UHFFFAOYSA-N;140.15;-0.54;;;;;DOPC;MDCG;27;1;"MARTINI bead: SP1_SP2";;;;;;;-1.06;;-6.6;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM424225;MM424225;NC(C=CF)=C(C=O)CO;MEHSBNOVYCEFRP-UHFFFAOYSA-N;145.13;-0.13;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_P3";;;;;;;-0.33;;-2.01;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM424226;MM424226;CNCC=CN(C=N)NC;OUFTXVWKKCZRBD-UHFFFAOYSA-N;142.21;-0.24;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_P4";;;;;;;-1.19;;-7.31;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM424227;MM424227;CC#CC1CC=C(C)CC1;QTPGDYTWMVLKFR-UHFFFAOYSA-N;134.22;2.76;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC2_SC2";;;;;;;4.78;;0.59;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM424228;MM424228;C=C(C#N)C(=CN)C(=O)O;NIIIGFZXJMBLES-UHFFFAOYSA-N;138.13;-0.01;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_N0";;;;;;;0.34;;-7.38;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM424229;MM424229;C=CC(CN)=C(F)C=CF;DDMQUZUUXQPKCR-UHFFFAOYSA-N;145.15;1.84;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nda_C5";;;;;;;1.64;;-1.98;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM424230;MM424230;CNCC=CN(C=O)NC;PZWXNUJJOPKFJL-UHFFFAOYSA-N;143.19;-0.69;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_P3";;;;;;;-1.1;;-5.98;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM424231;MM424231;C=NNC1=CC(=NC)NC1;BKGDHCUCUCAIHL-UHFFFAOYSA-N;138.17;-0.29;;;;;DOPC;MDCG;27;1;"MARTINI bead: SNd_SP1";;;;;;;0.04;;-4.95;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM424232;MM424232;C=CC1CCC(C)(O)C1;JTVOHOSVBYFTJD-UHFFFAOYSA-N;126.2;1.72;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNda_SC2";;;;;;;2.83;;0.57;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM424233;MM424233;Cc1nn2c(nc1=N)CC2;AYGVVYNISRATPM-UHFFFAOYSA-N;136.16;-0.38;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP2_SP3";;;;;;;-2.2;;-5.19;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM424234;MM424234;CCC=C1CC=C(C)CC1;FYFPMCFZUWMIOO-UHFFFAOYSA-N;136.24;3.45;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC1_SC2";;;;;;;4.87;;0.53;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM424235;MM424235;CCC(C=O)=C(C)C=NO;WHEXLDGOPISZCD-UHFFFAOYSA-N;141.17;1.37;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4_P1";;;;;;;1.37;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM424236;MM424236;COC(CC#CCF)=NN;PULRGVYZRQEZSY-UHFFFAOYSA-N;144.15;0.27;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_C5";;;;;;;0.81;;-0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM424237;MM424237;CCOC=CN(C=N)NC;FVDOFAQIIALAPW-UHFFFAOYSA-N;143.19;0.54;;;;;DOPC;MDCG;27;1;"MARTINI bead: Na_P4";;;;;;;-1.19;;-6.23;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM424238;MM424238;CN1CC1C1CC1(F)C=O;FOPQKJHJBRHWDS-UHFFFAOYSA-N;143.16;0.23;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP1_SNa";;;;;;;0.04;;-2.54;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM424239;MM424239;Cc1nn2c(nc1=O)CC2;PNGZSYULPSPQSP-UHFFFAOYSA-N;137.14;-0.5;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP2_SP3";;;;;;;-2.2;;-5.19;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM424240;MM424240;CC1=CCC(=CCN)CC1;CWLUXTFAFFFQGM-UHFFFAOYSA-N;137.23;2;;;;;DOPC;MDCG;27;1;"MARTINI bead: SC2_SC5";;;;;;;3.6;;0.64;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM424241;MM424241;CCOC=CN(C=O)NC;ITFYJKVMSBCKQX-UHFFFAOYSA-N;144.17;0.09;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_P4";;;;;;;-0.41;;-2.78;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM424242;MM424242;C=COC1=CC(=NC)NC1;GKGMGMXAFFZCQY-UHFFFAOYSA-N;138.17;0.66;;;;;DOPC;MDCG;27;1;"MARTINI bead: SNd_SNa";;;;;;;0.87;;-3.26;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM424243;MM424243;CCC(C#N)=C(C)C=NO;AIJUIISVNZIQIN-UHFFFAOYSA-N;138.17;1.7;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4_P1";;;;;;;1.37;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM424244;MM424244;CN1CC1C1CC1(F)C#N;CVIJQBGBOOAFHG-UHFFFAOYSA-N;140.16;0.55;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP1_SNa";;;;;;;0.04;;-2.54;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM424245;MM424245;CC1C(C)C1C1C(C)C1C;XUHAXCGBJQOMJL-UHFFFAOYSA-N;138.25;2.79;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC5_SC5";;;;;;;2.41;;0.64;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM424246;MM424246;CCC=C1CC=C(F)CC1;LLSGNRSVUJQZPC-UHFFFAOYSA-N;140.2;3.36;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC1_SC4";;;;;;;4.24;;0.42;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM424247;MM424247;NC(C=NO)=C(C=O)CO;HLWQYLYEXYONHA-UHFFFAOYSA-N;144.13;-1.15;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_P3";;;;;;;-1.93;;-4.72;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM424248;MM424248;CCCC=CN(C=N)OC;FGIJMTOPTKHSSJ-UHFFFAOYSA-N;142.2;1.77;;;;;DOPC;MDCG;27;1;"MARTINI bead: C1_P3";;;;;;;0.94;;-1.02;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM424249;MM424249;C=COC1=CC(=NO)NC1;VWKICEBEQAXVLQ-UHFFFAOYSA-N;140.14;0.42;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP1_SNa";;;;;;;0.04;;-2.54;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM424250;MM424250;CN1CC1C1NC1(C)C#N;JEHHONLUNHSEKM-UHFFFAOYSA-N;137.19;-0.45;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP1_SP1";;;;;;;-0.79;;-3.13;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM424251;MM424251;CC1C(C)C1C1C(C)C1N;FJWIMESJIYRLQP-UHFFFAOYSA-N;139.24;1.48;;;;;DOPC;MDCG;27;1;"MARTINI bead: SC5_SNd";;;;;;;1.64;;-2.56;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM424252;MM424252;NCC=C1CC=C(F)CC1;VMPFWFWYUYQCBU-UHFFFAOYSA-N;141.19;1.91;;;;;DOPC;MDCG;27;1;"MARTINI bead: SC5_SC4";;;;;;;2.97;;0.37;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM424253;MM424253;C=CC(CC)=C(F)C=NO;DANVTXIUKMEEOC-UHFFFAOYSA-N;143.16;2.27;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1_P1";;;;;;;2.08;;0.51;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM424254;MM424254;C=CCC1=CC(=CC)OC1;JECBABYLNISQHJ-UHFFFAOYSA-N;136.19;2.42;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC5_SC5";;;;;;;2.41;;0.64;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM424255;MM424255;CON(C=N)C=CCCO;UXAXOZBNTVUXHV-UHFFFAOYSA-N;144.17;0.35;;;;;DOPC;MDCG;27;1;"MARTINI bead: P2_Nda";;;;;;;-0.24;;-4.51;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM424256;MM424256;C=CC1(C)OC1C1CN1C;PMCMWRDQYRKRIW-UHFFFAOYSA-N;139.2;0.64;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP1_SNa";;;;;;;0.04;;-2.54;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM424257;MM424257;C#CCC(C=NNC)=CF;WLMVJSOGNOAWJR-UHFFFAOYSA-N;140.16;1.07;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_C5";;;;;;;0.54;;-1.09;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM424258;MM424258;CCC=C1CCC(C)=CO1;BUDTVDVUHVLPNZ-UHFFFAOYSA-N;138.21;2.99;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC3_SC5";;;;;;;3.34;;0.48;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM424259;MM424259;C=CC(=NC)C(C)=CNN;XFKKDEULHHTQKT-UHFFFAOYSA-N;139.2;0.61;;;;;DOPC;MDCG;27;1;"MARTINI bead: N0_Nd";;;;;;;1.17;;-4.88;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM424260;MM424260;CC=C1C=C(CC=O)CO1;ZNZJOZDSSIIJGF-UHFFFAOYSA-N;138.17;1.44;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC5_SNa";;;;;;;1.64;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM424261;MM424261;CNCC=CN(C=O)OC;LWHQKNWNBIMLJX-UHFFFAOYSA-N;144.17;-0.26;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_P2";;;;;;;-0.24;;-5.21;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM424262;MM424262;CN1CC1C1OC1(C)C=O;MGFONODFANOHFA-UHFFFAOYSA-N;141.17;-0.34;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP1_SP1";;;;;;;-0.79;;-3.13;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM424263;MM424263;CC1C(C)C1C1C(C)C1F;BRMJWBZGXMKSOM-UHFFFAOYSA-N;142.22;2.49;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC5_SNa";;;;;;;1.64;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM424264;MM424264;C=CC=C1CC=C(C)CC1;PDXWKQBUADMJTN-UHFFFAOYSA-N;134.22;3.23;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC2_SC2";;;;;;;4.78;;0.59;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM424265;MM424265;CNC(C#N)=C(N)C=NO;FNQLQWANLVNORG-UHFFFAOYSA-N;140.15;-0.64;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_P1";;;;;;;-0.79;;-3.13;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM424266;MM424266;CC=C1C=C(CC#N)CO1;GFFLTCQYZKPVKR-UHFFFAOYSA-N;135.17;1.76;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC5_SN0";;;;;;;1.94;;0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM424267;MM424267;CCOC=CN(C=O)OC;XBGMKUUHFRODNI-UHFFFAOYSA-N;145.16;0.51;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_P2";;;;;;;0.54;;-1.09;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM424268;MM424268;CC1CN1C1CC1(C)C=O;NIMCWZMXMXZKRM-UHFFFAOYSA-N;139.2;0.67;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNd_SNa";;;;;;;0.87;;-1.88;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM424269;MM424269;CC1C(C)C1C1C(N)C1N;CJIQIPVAYOIPCZ-UHFFFAOYSA-N;140.23;0.17;;;;;DOPC;MDCG;27;1;"MARTINI bead: SC5_SP3";;;;;;;-0.33;;-4.09;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM424270;MM424270;CC1=CCC(=CC=O)CC1;AOTPOUHZVJTCQC-UHFFFAOYSA-N;136.19;2.24;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC2_SC5";;;;;;;3.6;;0.34;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM424271;MM424271;N#CC1(CNCC=O)CN1;ICKMZZPFPNFSEF-UHFFFAOYSA-N;139.16;-1.36;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_SP2";;;;;;;-1.34;;-4.31;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM424272;MM424272;C=CCC1=CC(=CF)OC1;BKMOGUXETGOBLN-UHFFFAOYSA-N;140.16;2.33;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNa_SC5";;;;;;;1.64;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM424273;MM424273;C=CN(C=NCCC)CC;IVFASLLQTOOWPZ-UHFFFAOYSA-N;140.23;1.89;;;;;DOPC;MDCG;27;1;"MARTINI bead: N0_C5";;;;;;;1.94;;-1.74;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM424274;MM424274;CC1CN1C1CC1(C)C#N;PRTJOSJNOHGXQN-UHFFFAOYSA-N;136.2;0.99;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNd_SN0";;;;;;;1.17;;-1.04;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM424275;MM424275;CC1C(C)C1C1C(O)C1O;YCDSEPKQKZREJJ-UHFFFAOYSA-N;142.2;0.24;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC5_SP2";;;;;;;0.54;;-1.09;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM424276;MM424276;CC1=CCC(=CC#N)CC1;DLKZXVKQNJNMFI-UHFFFAOYSA-N;133.19;2.57;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC2_SC5";;;;;;;3.6;;0.34;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM424277;MM424277;COC(C#N)=C(C)C=CF;VYZSAGRMVRNIMY-UHFFFAOYSA-N;141.15;1.91;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_C5";;;;;;;1.64;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM424278;MM424278;N#CCC1=CC(=CF)OC1;TVPDSGDHDKIYLR-UHFFFAOYSA-N;139.13;1.67;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNa_SN0";;;;;;;1.17;;-1.18;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM424279;MM424279;CCCN=CN(C=N)CC;JUXIWDMLXYFTQI-UHFFFAOYSA-N;141.22;1.35;;;;;DOPC;MDCG;27;1;"MARTINI bead: N0_Nd";;;;;;;1.17;;-2.76;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM424280;MM424280;C=CC1(N)CC1N1CC1C;IFUTXZARMRVEEW-UHFFFAOYSA-N;138.21;0.35;;;;;DOPC;MDCG;27;1;"MARTINI bead: SNd_SNd";;;;;;;0.87;;-3.61;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM424281;MM424281;CC1C(C)C1C1C(O)C1F;VHMLQJXZEFIMPN-UHFFFAOYSA-N;144.19;1.22;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC5_SP1";;;;;;;0.81;;-0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM424282;MM424282;C=CC=C1CC=C(F)CC1;BAPFQDOYXNBOKU-UHFFFAOYSA-N;138.19;3.14;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC4_SC2";;;;;;;4.16;;0.44;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM424283;MM424283;CC=CC(N)=C(C=O)OC;PQCSCXCSBNFXPH-UHFFFAOYSA-N;141.17;0.58;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_C4";;;;;;;1.09;;-0.38;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM424284;MM424284;C=CC#CCC(=NN)OC;FDHAGFTWELGOOR-UHFFFAOYSA-N;138.17;0.48;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_C4";;;;;;;1.37;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM424285;MM424285;CCCN=CN(C=O)CC;GBVMUADKAKFFHW-UHFFFAOYSA-N;142.2;0.9;;;;;DOPC;MDCG;27;0;"MARTINI bead: N0_P1";;;;;;;0.34;;-1.53;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM424286;MM424286;CC1C(N)C1C1C(C)C1N;NXMVWCFRXJPTQK-UHFFFAOYSA-N;140.23;0.17;;;;;DOPC;MDCG;27;1;"MARTINI bead: SNd_SNd";;;;;;;0.87;;-5.07;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM424287;MM424287;C=CC1CC1C(C)(C)O;UVCVJPOOJSQUEF-UHFFFAOYSA-N;126.2;1.58;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda_SC4";;;;;;;2.2;;0.49;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM424288;MM424288;O=CC=C1CC=C(F)CC1;QOEXXJOQQMDZFO-UHFFFAOYSA-N;140.16;2.15;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC4_SC5";;;;;;;2.97;;0.45;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM424289;MM424289;COC(C#N)=C(N)C=CF;QNOGUMUJTMJYRG-UHFFFAOYSA-N;142.13;0.81;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_C5";;;;;;;0.81;;-0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM424290;MM424290;CCN(C=O)C=NCCN;SHWHGBNMLSMIPV-UHFFFAOYSA-N;143.19;-0.55;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1_P2";;;;;;;-1.06;;-5.57;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM424291;MM424291;C=CCC1=CC(=NO)OC1;OKAPOKYQNLQVOD-UHFFFAOYSA-N;139.15;1.31;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP1_SC5";;;;;;;0.81;;-0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM424292;MM424292;CC1C(N)C1C1C(N)C1N;ZKOVPZKDKWICIP-UHFFFAOYSA-N;141.22;-1.14;;;;;DOPC;MDCG;27;1;"MARTINI bead: SNd_SP3";;;;;;;-1.1;;-6.65;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM424293;MM424293;CC(=NN)C(=O)N(C)N;YDFVQIDYLMKDLZ-UHFFFAOYSA-N;130.15;-1.35;;;;;DOPC;MDCG;27;0;"MARTINI bead: P4_Nd";;;;;;;-1.19;;-4.91;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM424294;MM424294;N#CC=C1CC=C(F)CC1;DXNNJDBQCJMNHH-UHFFFAOYSA-N;137.16;2.47;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC4_SC5";;;;;;;2.97;;0.45;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM424295;MM424295;C=CC(OC)=C(F)C=CF;ANMUNFOGPDMHKK-UHFFFAOYSA-N;146.14;2.48;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4_C5";;;;;;;2.97;;0.45;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM424296;MM424296;N#CC1(NCC=O)CC1;LBBSIFQTQWUDQP-UHFFFAOYSA-N;124.14;-0.17;;;;;DOPC;MDCG;27;0;"MARTINI bead: P5_SN0";;;;;;;-0.81;;-4.41;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM424297;MM424297;N#CCC1=CC(=NO)OC1;QWXMRPBKYUXGFP-UHFFFAOYSA-N;138.13;0.64;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP1_SN0";;;;;;;0.34;;-1.53;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM424298;MM424298;CC1C(N)C1C1C(N)C1O;GMAYXZGPVRMRJV-UHFFFAOYSA-N;142.2;-1.1;;;;;DOPC;MDCG;27;1;"MARTINI bead: SNd_SP2";;;;;;;-0.24;;-5.65;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM424299;MM424299;CC1CN1C1CC1(F)C=O;AYNBYLDAPHZEIC-UHFFFAOYSA-N;143.16;0.37;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNd_SNa";;;;;;;0.87;;-1.88;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM424300;MM424300;NN=c1nncc(F)n1N;HEOUKOUZMPRLKK-UHFFFAOYSA-N;144.11;-2.09;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP3_SP2";;;;;;;-2.2;;-5.19;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM424301;MM424301;C=CC(OC)=C(C)C=NN;UESVSVDVXYARCY-UHFFFAOYSA-N;140.19;1.04;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1_P1";;;;;;;2.08;;0.48;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM424302;MM424302;CC=C1C=C(NC=N)CO1;JZPZLTLXDWYVHR-UHFFFAOYSA-N;138.17;1;;;;;DOPC;MDCG;27;1;"MARTINI bead: SC5_SP1";;;;;;;0.81;;-3.24;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM424303;MM424303;CCN(C=O)C=NCCF;FOWSKWINPMNCFB-UHFFFAOYSA-N;146.17;0.46;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_Nda";;;;;;;-0.24;;-3.31;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM424304;MM424304;CC1C(N)C1C1C(N)C1F;GDEIIDUAVLUYCF-UHFFFAOYSA-N;144.19;-0.13;;;;;DOPC;MDCG;27;1;"MARTINI bead: SNd_SP1";;;;;;;0.04;;-5.3;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM424305;MM424305;CC1CN1C1CC1(F)C#N;VKFMRBJOTOTJJM-UHFFFAOYSA-N;140.16;0.69;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNd_SNa";;;;;;;0.87;;-1.88;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM424306;MM424306;Cc1nnnc(=NN)n1N;CQEVOAFMMRFQLH-UHFFFAOYSA-N;141.14;-2.53;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP2_SP3";;;;;;;-2.2;;-5.19;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM424307;MM424307;C=CC(OC)=C(C)C=NO;QYGIWIPYDOBZCU-UHFFFAOYSA-N;141.17;1.55;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1_P1";;;;;;;2.08;;0.48;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM424308;MM424308;N=CNC1=CC(=CF)OC1;UMIJYLIJDIPPOH-UHFFFAOYSA-N;142.13;0.91;;;;;DOPC;MDCG;27;1;"MARTINI bead: SNa_SP1";;;;;;;0.04;;-5.21;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM424309;MM424309;C=CN(C=NOCC)CC;YFPKOEODJMBPFE-UHFFFAOYSA-N;142.2;1.43;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_Nd";;;;;;;0.87;;-1.88;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM424310;MM424310;CC1C(N)C1C1C(O)C1O;CSRUFSSOSQEOEK-UHFFFAOYSA-N;143.19;-1.07;;;;;DOPC;MDCG;27;1;"MARTINI bead: SNd_SP2";;;;;;;-0.24;;-5.21;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM424311;MM424311;C=CC1(C)CN1C1CC1C;WLXXGZJLAFSXOX-UHFFFAOYSA-N;137.23;1.66;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNd_SP1";;;;;;;0.04;;-2.63;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM424312;MM424312;C=CC=C1CCC(C)=CO1;FFBWFRZKKKGLES-UHFFFAOYSA-N;136.19;2.77;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC5_SC4";;;;;;;2.97;;0.45;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM424313;MM424313;COC(C=O)=C(N)C=NO;SULRXXXQNZQOTQ-UHFFFAOYSA-N;144.13;-0.54;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_P1";;;;;;;-1.06;;-3.82;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM424314;MM424314;O=CNC1=CC(=CF)OC1;RSPVYEMCPHMSSX-UHFFFAOYSA-N;143.12;0.46;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNa_SP1";;;;;;;0.04;;-2.54;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM424315;MM424315;C=NN(C=NCCC)CC;RAFJJTTWEJQQQC-UHFFFAOYSA-N;141.22;1.36;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4_P1";;;;;;;1.37;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM424316;MM424316;CC1C(O)C1C1C(C)C1O;GUPMGDWQPCKKNI-UHFFFAOYSA-N;142.2;0.24;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNda_SNda";;;;;;;0.87;;-2.07;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM424317;MM424317;CC1CC1N1CC1(C)C#N;XEBIXAYUFCLRKD-UHFFFAOYSA-N;136.2;0.99;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNd_SP1";;;;;;;0.04;;-2.63;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM424318;MM424318;CC1=COC(=CC#N)CC1;NXWIOYYXIYOJFX-UHFFFAOYSA-N;135.17;2.11;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC5_SC5";;;;;;;2.41;;0.64;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM424319;MM424319;C=CC(OC)=C(F)C=NN;NUHAOIMPKQDVLS-UHFFFAOYSA-N;144.15;0.94;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4_P1";;;;;;;1.37;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM424320;MM424320;N=CNC1=CC(=NN)OC1;ZKLOKBBZEGFDJQ-UHFFFAOYSA-N;140.15;-0.63;;;;;DOPC;MDCG;27;1;"MARTINI bead: SNda_SP1";;;;;;;0.04;;-5.15;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM424321;MM424321;CC1C(O)C1C1C(C)C1F;XSUZEOLNGDZJMV-UHFFFAOYSA-N;144.19;1.22;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNda_SNa";;;;;;;0.87;;-1.99;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM424322;MM424322;CNN(C=N)C=NCCN;WZWNGVAAQHAMTH-UHFFFAOYSA-N;143.19;-0.98;;;;;DOPC;MDCG;27;1;"MARTINI bead: P4_P2";;;;;;;-2.29;;-6.95;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM424323;MM424323;C=CC1(C)CN1C1CC1N;CUQGVYMGHRIRIV-UHFFFAOYSA-N;138.21;0.35;;;;;DOPC;MDCG;27;1;"MARTINI bead: SP1_SP3";;;;;;;-1.93;;-6.48;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM424324;MM424324;C=CC=C1CCC(F)=CO1;OGJVIJINEZVTKY-UHFFFAOYSA-N;140.16;2.68;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNa_SC4";;;;;;;2.2;;0.34;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM424325;MM424325;C#CC(CC)=C(C)C=CF;UQDPWAGDMLNQSI-UHFFFAOYSA-N;138.19;2.83;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1_C5";;;;;;;3.68;;0.46;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM424326;MM424326;N=CNC1=CC(=NO)OC1;PEPVPUHZIYNDFI-UHFFFAOYSA-N;141.13;-0.12;;;;;DOPC;MDCG;27;1;"MARTINI bead: SP1_SP1";;;;;;;-0.79;;-5.5;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM424327;MM424327;CC1C(O)C1C1C(N)C1N;SYAYEDGYKQAXAV-UHFFFAOYSA-N;142.2;-1.1;;;;;DOPC;MDCG;27;1;"MARTINI bead: SNda_SP3";;;;;;;-1.1;;-5.76;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM424328;MM424328;CNN(C=O)C=NCCN;XLNKYNCWMHMKKZ-UHFFFAOYSA-N;144.18;-1.43;;;;;DOPC;MDCG;27;1;"MARTINI bead: P4_P2";;;;;;;-2.29;;-7.65;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM424329;MM424329;COc1nc(N)n(N)n1;FGEHCHYTLKIYLL-UHFFFAOYSA-N;129.12;-1.42;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP1_SP2";;;;;;;-1.06;;-3.82;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM424330;MM424330;N#CC=C1CCC(F)=CO1;HVKMBOMEPRYHRL-UHFFFAOYSA-N;139.13;2.02;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNa_SC5";;;;;;;1.64;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM424331;MM424331;C#CC(CN)=C(C)C=CC;SCTNFUXRLIPUGF-UHFFFAOYSA-N;135.21;1.47;;;;;DOPC;MDCG;27;1;"MARTINI bead: C4_Nd";;;;;;;2.2;;-1.19;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM424332;MM424332;C#CC#CCC(=NN)OC;DPFCAGGSXHNGIM-UHFFFAOYSA-N;136.15;-0.07;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_C4";;;;;;;1.37;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM424333;MM424333;CC1C(O)C1C1C(N)C1O;BNNFHWRBUVCJGH-UHFFFAOYSA-N;143.19;-1.07;;;;;DOPC;MDCG;27;1;"MARTINI bead: SNda_SP2";;;;;;;-0.24;;-4.98;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM424334;MM424334;O=CC#CC1NC1C=O;YZEXYHBBYXQNHB-UHFFFAOYSA-N;123.11;-1.27;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_SP2";;;;;;;-1.06;;-3.82;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM424335;MM424335;CC1CCC(C)C(O)C1;RUADGOLRFXTMCY-UHFFFAOYSA-N;128.22;1.8;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC1_SC5";;;;;;;3.68;;0.46;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM424336;MM424336;C#CC=C1CC=C(C)CC1;KXJJULIDAXULIK-UHFFFAOYSA-N;132.21;2.68;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC2_SC3";;;;;;;4.53;;0.32;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM424337;MM424337;C#CC(CO)=C(C)C=CC;FBTILSRKUGEVAH-UHFFFAOYSA-N;136.19;1.5;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4_Nda";;;;;;;2.2;;0.49;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM424338;MM424338;C=NNC1=CC(=NO)OC1;KJDXNVUMDXJMRX-UHFFFAOYSA-N;141.13;-0.11;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP1_SNd";;;;;;;0.04;;-2.63;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM424339;MM424339;C#CC=C1CC=C(F)CC1;OHPOJAXYGVZZFR-UHFFFAOYSA-N;136.17;2.58;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC4_SC3";;;;;;;3.9;;0.47;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM424340;MM424340;CC1C(O)C1C1C(O)C1O;LPYAWQDFLFMPKI-UHFFFAOYSA-N;144.17;-1.04;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNda_SP2";;;;;;;-0.24;;-3.31;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM424341;MM424341;CON(C=O)C=NCCN;KYGOUZAUKHBORP-UHFFFAOYSA-N;145.16;-1.01;;;;;DOPC;MDCG;27;1;"MARTINI bead: P2_P2";;;;;;;-1.34;;-6.05;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM424342;MM424342;CC(=O)N=CN1CC1C;BBIBNBXRZAYUMD-UHFFFAOYSA-N;126.16;0.27;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNd_P2";;;;;;;-0.24;;-3.16;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM424343;MM424343;C#CC(CC)=C(F)C=CF;JJNRRPRNZYMHFY-UHFFFAOYSA-N;142.15;2.74;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4_C5";;;;;;;2.97;;0.45;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM424344;MM424344;C=COC1=CC(=CC)OC1;BGSLICHRIIINKQ-UHFFFAOYSA-N;138.17;1.96;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC5_SNa";;;;;;;1.64;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM424345;MM424345;C#CC=C1CCC(C)=CO1;OHVPOZGKNBAMED-UHFFFAOYSA-N;134.18;2.22;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC5_SC5";;;;;;;2.41;;0.64;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM424346;MM424346;CON(C=O)C=NCCO;WWEGSPXPORJHBH-UHFFFAOYSA-N;146.15;-0.97;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_P2";;;;;;;-1.34;;-4.31;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM424347;MM424347;C#CC1(C)CC1C1CC1C;QXGJQMVFYXJQAT-UHFFFAOYSA-N;134.22;2.3;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC5_SC5";;;;;;;2.41;;0.64;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM424348;MM424348;NC1C(N)C1C1C(N)C1N;TUCDJKZFQQFJKR-UHFFFAOYSA-N;142.21;-2.44;;;;;DOPC;MDCG;27;1;"MARTINI bead: SP3_SP3";;;;;;;-3.07;;-8.51;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM424349;MM424349;C#CC(CO)=C(F)C=CC;GEQKZEBWVCBSAV-UHFFFAOYSA-N;140.16;1.41;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4_P1";;;;;;;1.37;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM424350;MM424350;C#CC=C1CCC(F)=CO1;JXTMULYSWYSXRZ-UHFFFAOYSA-N;138.14;2.12;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNa_SC5";;;;;;;1.64;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM424351;MM424351;C=COC1=CC(=CF)OC1;GRQPGBSLQRHFCY-UHFFFAOYSA-N;142.13;1.87;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNa_SNa";;;;;;;0.87;;-2.22;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM424352;MM424352;CON(C=O)C=NCCF;HVMYBXXWGGHZMR-UHFFFAOYSA-N;148.14;;;;;;DOPC;MDCG;27;0;"MARTINI bead: P3_C5";;;;;;;-0.33;;-2.01;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM424353;MM424353;C#CC1(C)CC1C1CC1N;DTSGRMJGTTYZTG-UHFFFAOYSA-N;135.21;0.99;;;;;DOPC;MDCG;27;1;"MARTINI bead: SC5_SP1";;;;;;;0.81;;-3.11;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM424354;MM424354;NC1C(N)C1C1C(N)C1O;UUBFXTUPHXQFPS-UHFFFAOYSA-N;143.19;-2.41;;;;;DOPC;MDCG;27;1;"MARTINI bead: SP3_SP2";;;;;;;-2.2;;-7.35;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM424355;MM424355;C#CC(CC)=C(C)C=NN;KEDWKTFVEUWRBL-UHFFFAOYSA-N;136.2;1.29;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1_P1";;;;;;;2.08;;0.48;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM424356;MM424356;CCCC1C=CC(C)C=C1;UBSDZZKSKPSRLP-UHFFFAOYSA-N;136.24;3.16;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC1_SC4";;;;;;;4.24;;0.42;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM424357;MM424357;COC(=COC=NN)CF;GSYSOFLIVKHQOR-UHFFFAOYSA-N;148.14;0.36;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_Nda";;;;;;;0.87;;-1.99;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM424358;MM424358;CCON=CN(C=O)OC;FLVGXZLAWOHKHE-UHFFFAOYSA-N;146.15;-0.01;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_P2";;;;;;;-0.24;;-3.24;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM424359;MM424359;CC1C=CC(=NN)C1C;CUOBAROVJRBQSG-UHFFFAOYSA-N;124.19;1.14;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC4_SC5";;;;;;;2.97;;0.45;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM424360;MM424360;NC1C(N)C1C1C(N)C1F;WSMHFTOMZRZOJO-UHFFFAOYSA-N;145.18;-1.43;;;;;DOPC;MDCG;27;1;"MARTINI bead: SP3_SP1";;;;;;;-1.93;;-6.85;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM424361;MM424361;C#CC(CC)=C(C)C=NO;MZIDQRFIBGBFEE-UHFFFAOYSA-N;137.18;1.81;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1_P1";;;;;;;2.08;;0.48;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM424362;MM424362;CCCC1C=CC(O)C=C1;XWHPMICPAOFIGX-UHFFFAOYSA-N;138.21;1.89;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC1_SNda";;;;;;;2.91;;0.57;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM424363;MM424363;C=COC1=CC(=NO)OC1;GUMXEQLPESCROE-UHFFFAOYSA-N;141.13;0.85;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP1_SNa";;;;;;;0.04;;-2.54;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM424364;MM424364;CCN(C=N)N=CCCN;PGSXTSPAPWCALP-UHFFFAOYSA-N;142.21;0.25;;;;;DOPC;MDCG;27;1;"MARTINI bead: P2_Nd";;;;;;;-0.24;;-5.28;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM424365;MM424365;C#CC1(N)CC1C1CC1C;KRWLGUISOUZQMA-UHFFFAOYSA-N;135.21;0.99;;;;;DOPC;MDCG;27;1;"MARTINI bead: SC5_SNd";;;;;;;1.64;;-1.58;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM424366;MM424366;C#CC1(NC)C=NNC1=N;YKFVHEXLBMOFCG-UHFFFAOYSA-N;136.16;-0.86;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP2_SP1";;;;;;;-1.06;;-3.82;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM424367;MM424367;NC1C(N)C1C1C(O)C1O;XTVWGWZHXDTTGS-UHFFFAOYSA-N;144.17;-2.38;;;;;DOPC;MDCG;27;1;"MARTINI bead: SP3_SP2";;;;;;;-2.2;;-6.69;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM424368;MM424368;N#CCC1C=CC(F)C=C1;VZXHCFLDILQDIS-UHFFFAOYSA-N;137.16;1.98;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC5_SC5";;;;;;;2.41;;0.64;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM424369;MM424369;C=CC(=COC=NN)OC;BJXHTOROKPIUSL-UHFFFAOYSA-N;142.16;0.58;;;;;DOPC;MDCG;27;0;"MARTINI bead: N0_Nda";;;;;;;1.17;;-1.13;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM424370;MM424370;C#CC1(N)CC1C1CC1O;MZIUBSGVFSRPDW-UHFFFAOYSA-N;137.18;-0.28;;;;;DOPC;MDCG;27;1;"MARTINI bead: SNd_SP1";;;;;;;0.04;;-4.01;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM424371;MM424371;C#CCCC(O)C1CC1;QZXGSAGGGJSAST-UHFFFAOYSA-N;124.18;1.17;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_SNda";;;;;;;1.64;;0.05;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM424372;MM424372;NC1C(N)C1C1C(O)C1F;QDOCXNWGFIYQMB-UHFFFAOYSA-N;146.17;-1.4;;;;;DOPC;MDCG;27;1;"MARTINI bead: SP3_SP1";;;;;;;-1.93;;-6.51;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM424373;MM424373;C#CC(=NC)C(C)=CNN;RQHZCNZUEPGDMI-UHFFFAOYSA-N;137.19;0.06;;;;;DOPC;MDCG;27;1;"MARTINI bead: C4_P3";;;;;;;0.23;;-3.23;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM424374;MM424374;CC1C=CC(NC=N)C=C1;LBFDCRFSZGYHPN-UHFFFAOYSA-N;136.2;1.31;;;;;DOPC;MDCG;27;1;"MARTINI bead: SC4_SNd";;;;;;;2.2;;-2.73;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM424375;MM424375;N=CNC1=CC(=NN)CN1;WTQSKACIVKBUIP-UHFFFAOYSA-N;139.16;-1.06;;;;;DOPC;MDCG;27;1;"MARTINI bead: SP2_SP1";;;;;;;-1.06;;-7.87;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM424376;MM424376;C#CC1(O)CC1C1CC1C;CQCXGNFLEKGQNS-UHFFFAOYSA-N;136.19;1.03;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC5_SP1";;;;;;;0.81;;-0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM424377;MM424377;CC=CCC(O)C1CC1;QATCPTXMJYBXEZ-UHFFFAOYSA-N;126.2;1.72;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_SC5";;;;;;;2.41;;0.64;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM424378;MM424378;C#CC(=NC)C(C)=CNO;SHAAJMIMNOAOCN-UHFFFAOYSA-N;138.17;0.57;;;;;DOPC;MDCG;27;1;"MARTINI bead: C4_P3";;;;;;;0.23;;-2.93;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM424379;MM424379;NC1C(O)C1C1C(N)C1F;ZTIPWYFTKXHLGB-UHFFFAOYSA-N;146.17;-1.4;;;;;DOPC;MDCG;27;1;"MARTINI bead: SP2_SP1";;;;;;;-1.06;;-5.82;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM424380;MM424380;N=CNC1=CC(=NO)CN1;NIEDXGNRJQWIPG-UHFFFAOYSA-N;140.15;-0.54;;;;;DOPC;MDCG;27;1;"MARTINI bead: SP2_SP1";;;;;;;-1.06;;-8.76;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM424381;MM424381;C=COC1C=CC(C)C=C1;QWMBJNCJMWFZEU-UHFFFAOYSA-N;136.19;2.28;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC4_SC4";;;;;;;3.53;;0.53;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM424382;MM424382;C#CC1(O)CC1C1CC1O;YINZBFNHUMESEC-UHFFFAOYSA-N;138.17;-0.25;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP1_SP1";;;;;;;-0.79;;-3.13;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM424383;MM424383;CCN(C=O)N=CCNC;OZZZRXOKRBPTIO-UHFFFAOYSA-N;143.19;-0.33;;;;;DOPC;MDCG;27;1;"MARTINI bead: P2_Nd";;;;;;;-0.24;;-4.25;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM424384;MM424384;CC1C(C2C(N)C2O)N1C;UWBQDZPZGCATHS-UHFFFAOYSA-N;142.2;-0.99;;;;;DOPC;MDCG;27;1;"MARTINI bead: SNd_SP2";;;;;;;-0.24;;-4.78;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM424385;MM424385;C=CC(C=C)=C(C)C=CC;IFWTZSKWCXMOGK-UHFFFAOYSA-N;134.22;3.25;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4_C1";;;;;;;4.24;;0.42;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM424386;MM424386;C#CC(=COC=NN)CC;AKPFAFQCWGFSJI-UHFFFAOYSA-N;138.17;0.83;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_C3";;;;;;;1.74;;0.29;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM424387;MM424387;C#CCC1C=CC(O)C=C1;VGJMFYCXFGZUBL-UHFFFAOYSA-N;134.18;1.11;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNda_SC4";;;;;;;2.2;;0.49;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM424388;MM424388;C#CC1(O)CC1C1CC1F;BXOWWVHBDPRASK-UHFFFAOYSA-N;140.16;0.73;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP1_SNa";;;;;;;0.04;;-2.54;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM424389;MM424389;CCN(C=O)N=CCOC;WJIVFWFIRWIQGV-UHFFFAOYSA-N;144.17;0.1;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_Na";;;;;;;-0.24;;-3.24;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM424390;MM424390;C#CC(C#CC#N)NN=C;PCPWOQASUMGQGX-UHFFFAOYSA-N;131.14;-0.28;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_N0";;;;;;;0.34;;-1.53;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM424391;MM424391;C=CC(C=C)=C(C)C=CF;DWHUOMBPTINVQT-UHFFFAOYSA-N;138.19;3.16;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_C1";;;;;;;3.68;;0.46;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM424392;MM424392;C=CC(C=C)=COC=NN;OLDJCMMWFNJQAU-UHFFFAOYSA-N;138.17;1.16;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_C2";;;;;;;2;;0.29;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM424393;MM424393;C#CCC1C=CC(F)C=C1;OYIWZEPEQDWMMP-UHFFFAOYSA-N;136.17;2.09;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC5_SC4";;;;;;;2.97;;0.45;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM424394;MM424394;C#CC1(F)CC1C1CC1C;IMTPZIVJTCFJAF-UHFFFAOYSA-N;138.19;2;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC5_SNa";;;;;;;1.64;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM424395;MM424395;C=CCC=CC(C=C)CC;KUFAPKLNJIHEEY-UHFFFAOYSA-N;136.24;3.33;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1_C3";;;;;;;4.61;;0.31;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM424396;MM424396;CNN=CC(C#N)=C(N)N;ORDCARVCBDJVBI-UHFFFAOYSA-N;139.16;-1.16;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_P1";;;;;;;-1.06;;-3.82;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM424397;MM424397;C=CC(C=O)=C(C)C=CC;IZAFXTFXENJCJF-UHFFFAOYSA-N;136.19;2.26;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4_C5";;;;;;;2.97;;0.45;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM424398;MM424398;CC#CC(C)C(=NN)OC;UWJFZINGIZULHZ-UHFFFAOYSA-N;140.19;0.56;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_C3";;;;;;;1.74;;0.29;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM424399;MM424399;CCCn1ncc(=N)nn1;NPRBPZSYUXEFKF-UHFFFAOYSA-N;139.16;-0.44;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP2_SP2";;;;;;;-1.34;;-4.31;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM424400;MM424400;C=CC(C=CCC=O)CC;JLYPJRQIEDCTOW-UHFFFAOYSA-N;138.21;2.34;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1_Na";;;;;;;2.91;;0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM424401;MM424401;C#CC1(F)CC1C1CC1N;ZFVKJZKCVYNFKW-UHFFFAOYSA-N;139.17;0.7;;;;;DOPC;MDCG;27;1;"MARTINI bead: SP1_SNa";;;;;;;0.04;;-5.16;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM424402;MM424402;C=CC(C#N)=C(C)C=CC;GXRNAEYGFRSQDY-UHFFFAOYSA-N;133.19;2.59;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4_C4";;;;;;;3.53;;0.53;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM424403;MM424403;CC1CC1OC1C(C)C1C;KHDNKVBGQPYMGU-UHFFFAOYSA-N;140.23;2.07;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC5_SNa";;;;;;;1.64;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM424404;MM424404;COC=C(C)C(=NN)OC;YMGDPSFMNQUQSP-UHFFFAOYSA-N;144.17;0.46;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_P1";;;;;;;0.81;;-0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM424405;MM424405;N#CCn1ncc(=O)cn1;FKUIXQIYNNVVGZ-UHFFFAOYSA-N;136.11;-0.84;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP2_SP2";;;;;;;-1.34;;-4.31;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM424406;MM424406;C=CC(C=CCC#N)CC;KCDAETGCQBTOQK-UHFFFAOYSA-N;135.21;2.67;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1_N0";;;;;;;3.21;;0.46;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM424407;MM424407;C#CC1(F)CC1C1CC1O;NQWOBOMWERJCNM-UHFFFAOYSA-N;140.16;0.73;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP1_SNa";;;;;;;0.04;;-2.54;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM424408;MM424408;CCC(CC)C1CC1CC;YRQCRMDARAXHNP-UHFFFAOYSA-N;140.27;3.47;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1_SC3";;;;;;;4.61;;0.31;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM424409;MM424409;C=CC(C=O)=C(C)C=CF;OKNFFXHUCNSPFV-UHFFFAOYSA-N;140.16;2.17;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_C5";;;;;;;2.41;;0.64;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM424410;MM424410;CNc1cc(NC=N)[nH]n1;HRBGNNLARBSDQN-UHFFFAOYSA-N;139.16;0.47;;;;;DOPC;MDCG;27;1;"MARTINI bead: SNda_SP2";;;;;;;-0.24;;-4.65;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM424411;MM424411;N#CCn1ncc(=N)nn1;CQSRAZZLTYJJRB-UHFFFAOYSA-N;136.12;-1.32;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP2_SP3";;;;;;;-2.2;;-5.19;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM424412;MM424412;C=CCC=CC(C=O)CC;BMKKOKHHAFHYRH-UHFFFAOYSA-N;138.21;2.34;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_C2";;;;;;;3.6;;0.34;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM424413;MM424413;C#CC1(F)CC1C1CC1F;FLEDHUXMDJQDBE-UHFFFAOYSA-N;142.15;1.71;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNa_SNa";;;;;;;0.87;;-2.22;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM424414;MM424414;N=CNc1cc(NN)n[nH]1;YJAYJUGIJMFSSB-UHFFFAOYSA-N;140.15;-0.29;;;;;DOPC;MDCG;27;1;"MARTINI bead: SP1_SP2";;;;;;;-1.06;;-5.11;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM424415;MM424415;C=NNC=NN(CC)CC;IMNTVMMWBGBBDV-UHFFFAOYSA-N;142.21;0.48;;;;;DOPC;MDCG;27;0;"MARTINI bead: N0_P1";;;;;;;0.34;;-1.53;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM424416;MM424416;O=CCn1ncc(=O)nn1;UYBXLFKJIGMDHD-UHFFFAOYSA-N;140.1;-1.77;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP2_SP3";;;;;;;-2.2;;-5.19;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM424417;MM424417;CC=CC(C)=C(C#N)C#N;QBYXZQFQKBIPTE-UHFFFAOYSA-N;132.17;1.93;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4_N0";;;;;;;2.5;;0.44;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM424418;MM424418;C=CCC=CC(C#N)CC;YGJNUTJHFHHYNS-UHFFFAOYSA-N;135.21;2.67;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_C3";;;;;;;3.34;;0.48;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM424419;MM424419;C#CC1(N)CC1C1NC1C;JPPIOQWMFSNYBZ-UHFFFAOYSA-N;136.2;-0.3;;;;;DOPC;MDCG;27;1;"MARTINI bead: SP1_SNd";;;;;;;0.04;;-4;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM424420;MM424420;CCC1CC1C(CN)CN;FSFMKNMDGKJHIW-UHFFFAOYSA-N;142.25;0.57;;;;;DOPC;MDCG;27;1;"MARTINI bead: SC3_P3";;;;;;;0.6;;-3.46;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM424421;MM424421;N#CCn1ncc(=O)nn1;BXBVPDOBERTIAP-UHFFFAOYSA-N;137.1;-1.44;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP2_SP2";;;;;;;-1.34;;-4.31;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM424422;MM424422;COC1(COC=NN)CC1;CXFIJBHUUOVUDO-UHFFFAOYSA-N;144.17;0.08;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNa_P1";;;;;;;0.04;;-2.54;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM424423;MM424423;CC(C=CF)=C(C#N)C=O;MMCGXRWSBCAVMN-UHFFFAOYSA-N;139.13;1.51;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_Na";;;;;;;1.64;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM424424;MM424424;CCC(C=O)C=CCC=O;WPTNVWJPYVMEIM-UHFFFAOYSA-N;140.18;1.36;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_Na";;;;;;;1.64;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM424425;MM424425;C#CC1(C)CC1C1OC1C;AFAJHOGEKSKKSD-UHFFFAOYSA-N;136.19;1.43;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNa_SC5";;;;;;;1.64;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM424426;MM424426;CCC1CC1C(CO)CO;ZSPIIRONNVIPAR-UHFFFAOYSA-N;144.21;0.63;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC3_P3";;;;;;;0.6;;-0.8;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM424427;MM424427;C#CCn1ncc(=O)cn1;XMVZGYYYTJSTIS-UHFFFAOYSA-N;135.13;-0.73;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP2_SP2";;;;;;;-1.34;;-4.31;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM424428;MM424428;C=CC1(COC=NN)CC1;QQNUPQQPSZYIFX-UHFFFAOYSA-N;140.19;0.87;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_SC4";;;;;;;1.37;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM424429;MM424429;CC(C=CF)=C(C#N)C#N;HTDZBLSKENDYHC-UHFFFAOYSA-N;136.13;1.83;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_N0";;;;;;;1.94;;0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM424430;MM424430;CCC(C=O)C=CCC#N;TXOIIGLAJKRVPB-UHFFFAOYSA-N;137.18;1.68;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_N0";;;;;;;1.94;;0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM424431;MM424431;CCC(CC)C1CC1CN;CMLWJHXTXLSEGX-UHFFFAOYSA-N;141.26;2.02;;;;;DOPC;MDCG;27;1;"MARTINI bead: C1_SNd";;;;;;;2.91;;-0.56;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM424432;MM424432;C#CC1(N)CC1C1OC1C;FANUTBUMDMKTRN-UHFFFAOYSA-N;137.18;0.12;;;;;DOPC;MDCG;27;1;"MARTINI bead: SNa_SNd";;;;;;;0.87;;-3.49;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM424433;MM424433;C=CC(C#N)=C(N)C=CF;YBUCKEHTPOJTKW-UHFFFAOYSA-N;138.15;1.39;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_Nd";;;;;;;1.64;;0.02;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM424434;MM424434;C#CCn1ncc(=N)nn1;RTDMHRCRJCHZBA-UHFFFAOYSA-N;135.13;-1.21;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP2_SP3";;;;;;;-2.2;;-5.19;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM424435;MM424435;C=CCc1cc(=NO)o[nH]1;YIMSDRGIRNKITB-UHFFFAOYSA-N;140.14;0.63;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP2_SC5";;;;;;;0.54;;-1.09;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM424436;MM424436;CCC(C#N)C=CCC#N;RUIHMBGEWORDPU-UHFFFAOYSA-N;134.18;2.01;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_P1";;;;;;;0.81;;-0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM424437;MM424437;CC=CC(N)=C(C#N)C=O;LUUZULMWMHABFH-UHFFFAOYSA-N;136.15;0.5;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_P2";;;;;;;0.54;;-1.09;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM424438;MM424438;CCC(CF)C1CC1CN;AMBMWHZQEJIPHB-UHFFFAOYSA-N;145.22;1.58;;;;;DOPC;MDCG;27;1;"MARTINI bead: C4_SNd";;;;;;;2.2;;-2.22;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM424439;MM424439;C#CCn1ncc(=O)nn1;BYIATHIAGZMIRR-UHFFFAOYSA-N;136.11;-1.33;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP2_SP2";;;;;;;-1.34;;-4.31;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM424440;MM424440;C#CC1(O)CC1C1OC1C;HFVIGCSTTWJLHS-UHFFFAOYSA-N;138.17;0.16;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNa_SP1";;;;;;;0.04;;-2.54;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM424441;MM424441;C=CCC1=CC(=CC)CO1;NGNDYTQNRFFFMB-UHFFFAOYSA-N;136.19;2.42;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC5_SC5";;;;;;;2.41;;0.64;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM424442;MM424442;CCN(N)C(=O)C1CN1;GAJNLBPWAWLDAR-UHFFFAOYSA-N;129.16;-1.32;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_SP2";;;;;;;-1.34;;-4.31;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM424443;MM424443;NCC(CN)C1CC1CN;GYVWBTXZKRFGPE-UHFFFAOYSA-N;143.23;-0.89;;;;;DOPC;MDCG;27;1;"MARTINI bead: P3_SNd";;;;;;;-1.1;;-6.95;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM424444;MM424444;CC=CC(N)=C(C#N)C#N;QIZBLCPHBOEHBQ-UHFFFAOYSA-N;133.15;0.82;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4_P1";;;;;;;1.37;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM424445;MM424445;CC=CC1C=CC(C)C=C1;LYLHGBSJALPYOL-UHFFFAOYSA-N;134.22;2.94;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC1_SC4";;;;;;;4.24;;0.42;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM424446;MM424446;C#CC1(F)CC1C1OC1C;PXQHJXSKDAETCF-UHFFFAOYSA-N;140.16;1.14;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNa_SNa";;;;;;;0.87;;-2.22;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM424447;MM424447;CC=C1C=C(CC#N)OC1;ZUXQLIHADDSURF-UHFFFAOYSA-N;135.17;1.76;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC5_SNa";;;;;;;1.64;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM424448;MM424448;C=CCCCCC(C)(C)O;BDJFCIOMKXVJJM-UHFFFAOYSA-N;142.24;2.5;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda_C1";;;;;;;2.91;;0.57;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM424449;MM424449;C=NN1C=C(C(C)=O)CC1;VHLKZTSRHCUGMT-UHFFFAOYSA-N;138.17;0.78;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP1_SP1";;;;;;;-0.79;;-3.13;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM424450;MM424450;NC(C=CF)=C(C=O)C=O;GXNVHYYUHMQPOP-UHFFFAOYSA-N;143.12;0.08;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_P2";;;;;;;0.54;;-1.09;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM424451;MM424451;CC=Cn1ncc(=O)nn1;XFGGMCMVGOSGOK-UHFFFAOYSA-N;138.13;-0.48;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP2_SP2";;;;;;;-1.34;;-4.31;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM424452;MM424452;C#CC1(C)NC1C1CC1N;HOCNRINIPJWRCT-UHFFFAOYSA-N;136.2;-0.3;;;;;DOPC;MDCG;27;1;"MARTINI bead: SP1_SP1";;;;;;;-0.79;;-5.43;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM424453;MM424453;C=CCC1=CC(=CF)CO1;XZGYTTHEPJRPRY-UHFFFAOYSA-N;140.16;2.33;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNa_SC5";;;;;;;1.64;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM424454;MM424454;CC(C)(O)CCCCC#N;FAOOWPARUCSKMW-UHFFFAOYSA-N;141.21;1.84;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda_N0";;;;;;;1.17;;-1.13;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM424455;MM424455;CCC(CN)C1CC1CO;BDINUXRRXYASQB-UHFFFAOYSA-N;143.23;0.6;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_SNda";;;;;;;0.87;;-4.72;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM424456;MM424456;N#CC(C#N)=C(N)C=CF;RYDLOAXUGHAKQG-UHFFFAOYSA-N;137.12;0.73;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_P1";;;;;;;0.81;;-0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM424457;MM424457;CCn1nnc(=NN)n1C;HODZCISRTLYVNZ-UHFFFAOYSA-N;142.17;-1.59;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP2_SP3";;;;;;;-2.2;;-5.19;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM424458;MM424458;C=C1C(F)=CCC1=NN;DDGNAJSIVYUETQ-UHFFFAOYSA-N;126.13;1.11;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNd_SC4";;;;;;;2.2;;0.32;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM424459;MM424459;N#CCC1=CC(=CF)CO1;KHKAZBIOVXFZSS-UHFFFAOYSA-N;139.13;1.67;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNa_SNa";;;;;;;0.87;;-2.22;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM424460;MM424460;N#CC(C=CCC=O)CO;NUKIXEHZIYHEML-UHFFFAOYSA-N;139.15;0.26;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_Na";;;;;;;-0.24;;-3.24;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM424461;MM424461;CCC12CC1N=C(NN)O2;FPGZJQYCLSRIKL-UHFFFAOYSA-N;141.17;-0.24;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC3_SP2";;;;;;;1.46;;-0.14;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM424462;MM424462;C=CC(C=C)=C(F)C=CF;VMMWTVZSYLNSEW-UHFFFAOYSA-N;142.15;3.07;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_C1";;;;;;;3.68;;0.46;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM424463;MM424463;N=c1cnn(C=NO)nn1;OPCWIIXUWFYPLM-UHFFFAOYSA-N;140.11;-1.58;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP2_SP4";;;;;;;-2.29;;-5.95;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM424464;MM424464;C=CC1(COC=NN)CN1;DEGYMWYTYYULGQ-UHFFFAOYSA-N;141.17;-0.57;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_SP1";;;;;;;-0.79;;-3.13;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM424465;MM424465;N#CCC=CC(C=O)CO;ANXVFNRQWJRLLH-UHFFFAOYSA-N;139.15;0.26;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_N0";;;;;;;0.06;;-2.21;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM424466;MM424466;C#CC1(C)NC1C1OC1C;GGLOPQPFFIVYHQ-UHFFFAOYSA-N;137.18;0.14;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNa_SP1";;;;;;;0.04;;-2.54;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM424467;MM424467;CCC(CN)C1CC1CF;XHWLWRAZIALJAF-UHFFFAOYSA-N;145.22;1.58;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_SC5";;;;;;;1.64;;-2.7;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM424468;MM424468;C=CC(C=O)=C(F)C=CC;XLEGISRPKZQJIF-UHFFFAOYSA-N;140.16;2.17;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4_C5";;;;;;;2.97;;0.45;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM424469;MM424469;C#CC#CC(F)C1NC1C;CQZYZXBCDGHZMS-UHFFFAOYSA-N;137.16;0.32;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP1_C5";;;;;;;0.81;;-0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM424470;MM424470;C=CCC=CC(C=C)CF;XZXCDYBWZBDDPG-UHFFFAOYSA-N;140.2;2.89;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_C2";;;;;;;3.6;;0.34;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM424471;MM424471;C#CC1(C)OC1C1CC1C;CDMSFKVMEJNRSO-UHFFFAOYSA-N;136.19;1.43;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC5_SNa";;;;;;;1.64;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM424472;MM424472;C=CCC1=CC(=NO)CO1;ADQZVPGANPBEBT-UHFFFAOYSA-N;139.15;1.31;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNda_SC5";;;;;;;1.64;;0.05;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM424473;MM424473;C=NNC=NCC#CCC;LYOISMRCBBAXHU-UHFFFAOYSA-N;137.19;0.63;;;;;DOPC;MDCG;27;0;"MARTINI bead: C3_P2";;;;;;;1.46;;-0.15;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM424474;MM424474;C=CC(C#N)=C(F)C=CC;AYWNNZVUSXYCPX-UHFFFAOYSA-N;137.16;2.5;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4_C4";;;;;;;3.53;;0.53;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM424475;MM424475;C=CC(C=CCC=O)CF;NFTXHFJLQBLPBK-UHFFFAOYSA-N;142.17;1.9;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_Na";;;;;;;1.64;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM424476;MM424476;C#CC1(C)OC1C1CC1N;QMBPVCQQIPNUFU-UHFFFAOYSA-N;137.18;0.12;;;;;DOPC;MDCG;27;1;"MARTINI bead: SNa_SP1";;;;;;;0.04;;-5.09;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM424477;MM424477;CCC=C1C=CC(F)C=C1;DUSINCXSXFEXRE-UHFFFAOYSA-N;138.19;2.79;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC1_SC5";;;;;;;3.68;;0.46;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM424478;MM424478;CC=C1C=C(NC=N)OC1;OGYZTCLUMQDCIQ-UHFFFAOYSA-N;138.17;1;;;;;DOPC;MDCG;27;1;"MARTINI bead: SC5_SP1";;;;;;;0.81;;-2.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM424479;MM424479;NCC(CN)C1CC1CF;SSSOUGXYORXJSG-UHFFFAOYSA-N;146.21;0.13;;;;;DOPC;MDCG;27;1;"MARTINI bead: P3_SC5";;;;;;;-0.33;;-4.72;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM424480;MM424480;C=CC(C#N)=C(F)C=CF;KYGTVSCJXKISNW-UHFFFAOYSA-N;141.12;2.4;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_C4";;;;;;;2.97;;0.45;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM424481;MM424481;C#CC1(N)CC1C1CN1C;AWUAWVAIIWLZFF-UHFFFAOYSA-N;136.2;-0.35;;;;;DOPC;MDCG;27;1;"MARTINI bead: SP1_SNd";;;;;;;0.04;;-3.97;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM424482;MM424482;NCC=C1C=CC(F)C=C1;KFKZKTGXYAWXQC-UHFFFAOYSA-N;139.17;1.34;;;;;DOPC;MDCG;27;1;"MARTINI bead: SC5_SC5";;;;;;;2.41;;0.03;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM424483;MM424483;C=CC(C=CCC#N)CF;HTRUMSAPIOOQDA-UHFFFAOYSA-N;139.17;2.23;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_N0";;;;;;;1.94;;0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM424484;MM424484;N=CNC1=CC(=CF)CO1;HEQWBXNJNAFRSH-UHFFFAOYSA-N;142.13;0.91;;;;;DOPC;MDCG;27;1;"MARTINI bead: SNa_SP1";;;;;;;0.04;;-4.49;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM424485;MM424485;OCC(CO)C1CC1CF;LAFSYJCWXDFDIY-UHFFFAOYSA-N;148.18;0.19;;;;;DOPC;MDCG;27;0;"MARTINI bead: P3_SC5";;;;;;;-0.33;;-2.01;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM424486;MM424486;CC=CC(F)=C(C=O)C=O;IDFMLINYVSMLDF-UHFFFAOYSA-N;142.13;1.18;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4_Na";;;;;;;2.2;;0.34;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM424487;MM424487;CCC1=CC(=NN)CC1;RUWXAZFGPCQCMT-UHFFFAOYSA-N;124.19;1.43;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC2_SNd";;;;;;;2.83;;0.62;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM424488;MM424488;C=CC(C=CNC=N)CC;ZRYHEZSJVVTCKF-UHFFFAOYSA-N;138.21;1.91;;;;;DOPC;MDCG;27;1;"MARTINI bead: C1_P3";;;;;;;0.94;;-3.59;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM424489;MM424489;N=CNC1=CC(=NN)CO1;WVOOBKCRKJYLIT-UHFFFAOYSA-N;140.15;-0.63;;;;;DOPC;MDCG;27;1;"MARTINI bead: SNd_SP1";;;;;;;0.04;;-4.36;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM424490;MM424490;C=NNC=NOCOCC;QWLKKQSDCZLQOJ-UHFFFAOYSA-N;145.16;0.15;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_P1";;;;;;;0.04;;-2.54;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM424491;MM424491;CCC1CC1C(CC)NC;OUTZBCVDKGEEBX-UHFFFAOYSA-N;141.26;2.03;;;;;DOPC;MDCG;27;1;"MARTINI bead: SC3_Nd";;;;;;;2.57;;-2.08;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM424492;MM424492;CC=CC(F)=C(C#N)C=O;WPDXEEMRLAYTFS-UHFFFAOYSA-N;139.13;1.51;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4_Na";;;;;;;2.2;;0.34;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM424493;MM424493;C=CC(C=CNC=O)CC;BWWFVNVJPUDEOB-UHFFFAOYSA-N;139.2;1.46;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1_P2";;;;;;;1.8;;0.4;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM424494;MM424494;C#CC1(F)CC1C1CN1C;ONXNOXWIUNCQII-UHFFFAOYSA-N;139.17;0.66;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP1_SNa";;;;;;;0.04;;-2.54;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM424495;MM424495;N=CNC1=CC(=NO)CO1;CERKBWNSFDAKOA-UHFFFAOYSA-N;141.13;-0.12;;;;;DOPC;MDCG;27;1;"MARTINI bead: SNda_SP1";;;;;;;0.04;;-4.41;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM424496;MM424496;CNN=c1ccn(O)nn1;LXEQFEGIQKCCNY-UHFFFAOYSA-N;141.13;-1.45;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP2_SP2";;;;;;;-1.34;;-4.31;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM424497;MM424497;CCC1CC1C(CN)NC;CYUZUMZVIKVIAS-UHFFFAOYSA-N;142.25;0.58;;;;;DOPC;MDCG;27;1;"MARTINI bead: SC3_P3";;;;;;;0.6;;-3.53;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM424498;MM424498;CC=CC(F)=C(C#N)C#N;NRGUPQVSAWAHQC-UHFFFAOYSA-N;136.13;1.83;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4_Na";;;;;;;2.2;;0.34;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM424499;MM424499;CCC1(CO)CC=CC1C;XFNCZMWNDISPHB-UHFFFAOYSA-N;140.23;1.97;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC5_SC4";;;;;;;2.97;;0.45;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM424500;MM424500;C#CC1(C)NC1C1CN1C;UTTNLAXWUFPQBM-UHFFFAOYSA-N;136.2;-0.34;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP1_SP1";;;;;;;-0.79;;-3.13;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM424501;MM424501;CCC(C=O)C=CN=CN;PYBJGQBBOKRPOR-UHFFFAOYSA-N;140.19;0.71;;;;;DOPC;MDCG;27;1;"MARTINI bead: C5_P2";;;;;;;0.54;;-4.55;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM424502;MM424502;CON=c1ccn(C)nn1;ILXBKTJLVIKBSR-UHFFFAOYSA-N;140.15;-0.72;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP2_SP1";;;;;;;-1.06;;-3.82;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM424503;MM424503;CCC(NC)C1CC1CO;KJEYHDPHSQRGDG-UHFFFAOYSA-N;143.23;0.61;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_SNda";;;;;;;0.87;;-4.98;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM424504;MM424504;N#CC(C=O)=C(F)C=CF;ZFTSFWCNPIMGHE-UHFFFAOYSA-N;143.09;1.42;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_Na";;;;;;;1.64;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM424505;MM424505;C=CC(C=CNC=N)CO;VHHUBLVHRQCRCM-UHFFFAOYSA-N;140.19;0.49;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nda_P2";;;;;;;-0.24;;-7.21;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM424506;MM424506;CNc1cc(CC#N)on1;HESRNGYROTUSPU-UHFFFAOYSA-N;137.14;0.78;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNda_SN0";;;;;;;1.17;;-1.13;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM424507;MM424507;C#CC1(C)OC1C1CN1C;OINPNWUMSXPHKR-UHFFFAOYSA-N;137.18;0.09;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP1_SNa";;;;;;;0.04;;-2.54;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM424508;MM424508;CON=c1ccn(N)nn1;VCILSTBDBNTCPB-UHFFFAOYSA-N;141.13;-1.55;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP2_SP2";;;;;;;-1.34;;-4.31;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM424509;MM424509;CCC(NC)C1CC1CF;NKMGARAFEPJCCG-UHFFFAOYSA-N;145.22;1.59;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_SC5";;;;;;;1.64;;-3.25;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM424510;MM424510;N#CC(C#N)=C(F)C=CF;SOSPOLOTPAWQIZ-UHFFFAOYSA-N;140.09;1.74;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_Na";;;;;;;1.64;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM424511;MM424511;O=CNC=CC(C=O)CO;ZJHIUEOJWOPKGR-UHFFFAOYSA-N;143.14;-0.95;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_P2";;;;;;;-1.34;;-4.31;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM424512;MM424512;C#CC1NC1C(=O)C=C;BSLVCIRUARHFRG-UHFFFAOYSA-N;121.14;-0.28;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_SP3";;;;;;;-1.1;;-4.2;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM424513;MM424513;CC12CC1C(=NN)OC2=O;VGURUFUJHKKHJC-UHFFFAOYSA-N;140.14;-0.16;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNa_SNda";;;;;;;0.87;;-1.99;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM424514;MM424514;CON=c1ccn(O)nn1;UUYLUKAMKNZUOJ-UHFFFAOYSA-N;142.12;-1.02;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP2_SP2";;;;;;;-1.34;;-4.31;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM424515;MM424515;CNC(CN)C1CC1CF;MQJURSVNHBAZIQ-UHFFFAOYSA-N;146.21;0.14;;;;;DOPC;MDCG;27;1;"MARTINI bead: P3_SC5";;;;;;;-0.33;;-4.79;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM424516;MM424516;C=CC(C=C)=C(C)C=NN;LMFMIJSYRFPGBD-UHFFFAOYSA-N;136.2;1.62;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_C1";;;;;;;2.08;;0.48;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM424517;MM424517;C=CCc1cc(NO)no1;UTTSYIZKMFXRLY-UHFFFAOYSA-N;140.14;1.2;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNda_SC5";;;;;;;1.64;;0.05;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM424518;MM424518;N#CC(C=CNC=O)CO;VPZDNNHTTBZJRA-UHFFFAOYSA-N;140.14;-0.62;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_P2";;;;;;;-1.34;;-4.31;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM424519;MM424519;C#CC1(F)CC1N1CC1C;SYDMNODMJQYJJB-UHFFFAOYSA-N;139.17;0.8;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNd_SNa";;;;;;;0.87;;-1.88;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM424520;MM424520;CON=c1ncn(N)nn1;VEOJHCCPUHBIEY-UHFFFAOYSA-N;142.12;-2.15;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP3_SP3";;;;;;;-3.07;;-6.15;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM424521;MM424521;CCC1CC1C(CC)OC;GONBZESMXWELMX-UHFFFAOYSA-N;142.24;2.46;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC3_Na";;;;;;;2.57;;0.45;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM424522;MM424522;CC(C=NO)=C(C=O)C=O;YGKRTGRQTLXSOP-UHFFFAOYSA-N;141.13;0.16;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda_P2";;;;;;;-0.24;;-3.31;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM424523;MM424523;C#CC1(C)CN1C1CC1C;PMWOFWKHBPJQAK-UHFFFAOYSA-N;135.21;1.1;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNd_SP1";;;;;;;0.04;;-2.63;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM424524;MM424524;CON=c1ncn(O)nn1;QYSFJUBUFCOXCO-UHFFFAOYSA-N;143.11;-1.63;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP3_SP3";;;;;;;-3.07;;-6.15;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM424525;MM424525;C=CC(C=CNC=N)CF;WJDWUKZGOZJGFV-UHFFFAOYSA-N;142.18;1.47;;;;;DOPC;MDCG;27;1;"MARTINI bead: C4_P3";;;;;;;0.23;;-4.87;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM424526;MM424526;N#CCc1cc(NO)no1;OCMHUFSXCUVFBG-UHFFFAOYSA-N;139.11;0.54;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNda_SN0";;;;;;;1.17;;-1.13;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM424527;MM424527;CCC1CC1C(CN)OC;WHVPKVSHPNLICQ-UHFFFAOYSA-N;143.23;1.01;;;;;DOPC;MDCG;27;1;"MARTINI bead: SC3_P2";;;;;;;1.46;;-2.09;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM424528;MM424528;C#CC1(C)CN1C1CC1N;IXDAXCGTACKYOU-UHFFFAOYSA-N;136.2;-0.21;;;;;DOPC;MDCG;27;1;"MARTINI bead: SP1_SP3";;;;;;;-1.93;;-6.48;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM424529;MM424529;CCC(OC)C1CC1CN;ZJSFNDHTKQDSHX-UHFFFAOYSA-N;143.23;1.01;;;;;DOPC;MDCG;27;1;"MARTINI bead: Na_SNd";;;;;;;0.87;;-4.68;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM424530;MM424530;Cn1ccc(=NC=N)nc1;DOMTZJWNASKOAQ-UHFFFAOYSA-N;136.16;-0.07;;;;;DOPC;MDCG;27;1;"MARTINI bead: SP1_SP2";;;;;;;-1.06;;-5.85;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM424531;MM424531;NC(C=NO)=C(C=O)C=O;MSVWDZBDKWCNHB-UHFFFAOYSA-N;142.11;-0.94;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_P2";;;;;;;-1.06;;-3.82;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM424532;MM424532;C=CC(C=CNC=O)CF;HCDLRSIBGZKPBD-UHFFFAOYSA-N;143.16;1.02;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_P2";;;;;;;0.54;;-1.09;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM424533;MM424533;C=C1OC(=NN)C2CC12F;ZVQNXFVMNHSVLS-UHFFFAOYSA-N;142.13;0.53;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNda_SNa";;;;;;;0.87;;-1.99;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM424534;MM424534;CC=CCC1NC1C=O;JKCHUXPIPHHUCZ-UHFFFAOYSA-N;125.17;0.49;;;;;DOPC;MDCG;27;0;"MARTINI bead: C2_SP2";;;;;;;1.72;;0.28;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM424535;MM424535;NN=CON=CCOC=O;XSECMNLQHFJOSE-UHFFFAOYSA-N;145.12;-0.94;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_Na";;;;;;;-0.24;;-3.24;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM424536;MM424536;COC(CN)C1CC1CN;COZZCWQXIPUEMG-UHFFFAOYSA-N;144.22;-0.45;;;;;DOPC;MDCG;27;1;"MARTINI bead: P2_SNd";;;;;;;-0.24;;-6.01;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM424537;MM424537;N#CC(C=CNC=N)CF;PQNITFLGHCCHLH-UHFFFAOYSA-N;141.15;0.81;;;;;DOPC;MDCG;27;1;"MARTINI bead: Na_P2";;;;;;;-0.24;;-7.1;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM424538;MM424538;N#CC(C=O)=C(N)C=NO;KTROSLOHZRKGJL-UHFFFAOYSA-N;139.11;-0.62;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_P2";;;;;;;-1.06;;-3.82;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM424539;MM424539;C=C(C)C1=CCC(=NN)O1;AWLZIPBYCMHBEW-UHFFFAOYSA-N;138.17;1.14;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC4_SNda";;;;;;;2.2;;0.49;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM424540;MM424540;C#CC1(C)CN1C1CC1F;CCGBREDKGGNEMT-UHFFFAOYSA-N;139.17;0.8;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP1_SP1";;;;;;;-0.79;;-3.13;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM424541;MM424541;C=NN=c1ccn(C)cn1;LIJZFSLGDDMXBR-UHFFFAOYSA-N;136.16;-0.06;;;;;DOPC;MDCG;27;1;"MARTINI bead: SP1_SP1";;;;;;;-0.79;;-4.42;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM424542;MM424542;C=COC=CC(C=C)CC;QNSGPYHJDJCUPN-UHFFFAOYSA-N;138.21;2.87;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1_C5";;;;;;;3.68;;0.46;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM424543;MM424543;COC(CO)C1CC1CN;XDBADNUJQFXUAW-UHFFFAOYSA-N;145.2;-0.41;;;;;DOPC;MDCG;27;1;"MARTINI bead: P2_SNd";;;;;;;-0.24;;-5.94;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM424544;MM424544;C=CC(C=C)=C(F)C=NN;QFTHLSYFVHKNQM-UHFFFAOYSA-N;140.16;1.53;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_C1";;;;;;;2.08;;0.48;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM424545;MM424545;NN=c1ccc(=O)cco1;YQKVOLZZXLIYLF-UHFFFAOYSA-N;138.13;-0.59;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP2_SC5";;;;;;;0.54;;-1.09;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM424546;MM424546;CC1CC1C(C)C1(C)CC1;UVKJHVCEQWQCAB-UHFFFAOYSA-N;138.25;3.08;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC3_SC5";;;;;;;3.34;;0.48;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM424547;MM424547;CC1(O)CCCC1;CAKWRXVKWGUISE-UHFFFAOYSA-N;100.16;1.31;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNda_SC4";;;;;;;2.2;;0.49;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM424548;MM424548;CCC(OC)C1CC1CO;KHWGSTIJTZBXNN-UHFFFAOYSA-N;144.21;1.04;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_SNda";;;;;;;0.87;;-1.99;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM424549;MM424549;C=CC(C=COC=O)CC;MOGTZSYHJSVSDX-UHFFFAOYSA-N;140.18;1.89;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1_P1";;;;;;;2.08;;0.48;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM424550;MM424550;C#CC(C=C)=C(C)C=CC;BDONZOJPCPKVLI-UHFFFAOYSA-N;132.21;2.7;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4_C3";;;;;;;3.9;;0.47;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM424551;MM424551;C=CN=C1CCC(=NC)N1;SKWNRCCTJBPQME-UHFFFAOYSA-N;137.19;0.94;;;;;DOPC;MDCG;27;1;"MARTINI bead: SNd_SN0";;;;;;;1.17;;-2.55;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM424552;MM424552;C#CC=CC1NC1C=O;QGFMHFJUSQGSJO-UHFFFAOYSA-N;121.14;-0.28;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP2_N0";;;;;;;0.06;;-2.21;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM424553;MM424553;Cn1ccc(=NC=N)nn1;RMRAVXSZDYDNTI-UHFFFAOYSA-N;137.15;-0.68;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP2_SP2";;;;;;;-1.34;;-4.31;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM424554;MM424554;C#CC(C=C)=C(C)C=CF;GRFUVVRVPKRSBZ-UHFFFAOYSA-N;136.17;2.61;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_C3";;;;;;;3.34;;0.48;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM424555;MM424555;CCC1CC1C(OC)OC;PNBKNHNGQIHHTJ-UHFFFAOYSA-N;144.21;1.65;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC3_P1";;;;;;;1.74;;0.29;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM424556;MM424556;C=COC=CC(C=O)CC;OQFVPPORGGNLEB-UHFFFAOYSA-N;140.18;1.89;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_Na";;;;;;;1.64;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM424557;MM424557;C=CN=C1CNC(=NC)N1;RLPVJZOCKNUWDK-UHFFFAOYSA-N;138.17;-0.29;;;;;DOPC;MDCG;27;1;"MARTINI bead: SP1_SP2";;;;;;;-1.06;;-6.05;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM424558;MM424558;CC1CC1C(C)C1(N)CC1;RBTJKSCEOZIYPZ-UHFFFAOYSA-N;139.24;1.77;;;;;DOPC;MDCG;27;1;"MARTINI bead: SC3_SP1";;;;;;;1.74;;-2.23;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM424559;MM424559;C#CC(C=O)=C(C)C=CC;CVAIDPOYOSZDMU-UHFFFAOYSA-N;134.18;1.71;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4_Na";;;;;;;2.2;;0.34;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM424560;MM424560;Cn1ccc(=NC=O)nn1;WXDZRRJKKWFLDW-UHFFFAOYSA-N;138.13;-1.13;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP2_SP2";;;;;;;-1.34;;-4.31;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM424561;MM424561;C=COC=CC(C#N)CC;CPCBRXKPFKBLSY-UHFFFAOYSA-N;137.18;2.21;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_Na";;;;;;;1.64;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM424562;MM424562;COC(OC)C1CC1CN;MOSZSBHQWYSXBY-UHFFFAOYSA-N;145.2;0.2;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1_SNd";;;;;;;0.04;;-5.43;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM424563;MM424563;N=c1nnc(=NN)cno1;QBOULIFCXZPIGC-UHFFFAOYSA-N;140.11;-2.28;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP3_SP3";;;;;;;-3.07;;-6.15;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM424564;MM424564;CC(C1CC1F)C1(N)CC1;SYTUDRUWNJGLLE-UHFFFAOYSA-N;143.21;1.47;;;;;DOPC;MDCG;27;1;"MARTINI bead: SC5_SP1";;;;;;;0.81;;-3.39;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM424565;MM424565;C#CC(C#N)=C(C)C=CC;GIROBQROKMWXPP-UHFFFAOYSA-N;131.18;2.04;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4_C5";;;;;;;2.97;;0.45;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM424566;MM424566;N=CN=c1ccn(N)nn1;FARPTUUJNSPIKB-UHFFFAOYSA-N;138.13;-1.5;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP2_SP2";;;;;;;-1.34;;-4.31;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM424567;MM424567;CCC(C=O)C=COC=O;UKVDFUXZKYGPHF-UHFFFAOYSA-N;142.15;0.9;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_P1";;;;;;;0.81;;-0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM424568;MM424568;CCC(CC)C1CC1NC;ZSBABVSBFLALPS-UHFFFAOYSA-N;141.26;2.03;;;;;DOPC;MDCG;27;1;"MARTINI bead: C1_SNd";;;;;;;2.91;;-0.54;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM424569;MM424569;NN=c1cnoc(=O)nn1;MOTDSOAZCZJWGJ-UHFFFAOYSA-N;141.09;-2.4;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP3_SP3";;;;;;;-3.07;;-6.15;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM424570;MM424570;CC(=NN)C(=O)N1CC1;CPFFRTXQQRWTQH-UHFFFAOYSA-N;127.15;-0.84;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nd_SP2";;;;;;;-0.24;;-3.16;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM424571;MM424571;C#CC(C=O)=C(C)C=CF;UXCJZMTWEKVBSC-UHFFFAOYSA-N;138.14;1.62;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_Na";;;;;;;1.64;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM424572;MM424572;Nn1ccc(=NC=O)nn1;LIOUGKGNSBBQCW-UHFFFAOYSA-N;139.12;-1.95;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP2_SP2";;;;;;;-1.34;;-4.31;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM424573;MM424573;CCC(CN)C1CC1NC;IZBCWOVTOHLQLP-UHFFFAOYSA-N;142.25;0.58;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_SNd";;;;;;;0.87;;-5.2;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM424574;MM424574;CCC(C#N)C=COC=O;XNLHUTJEWFWXMX-UHFFFAOYSA-N;139.15;1.22;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_P1";;;;;;;0.81;;-0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM424575;MM424575;C=NN=C1C=CC(CC)C1;KOZFJTNPQYOTIE-UHFFFAOYSA-N;136.2;2.03;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC2_SC5";;;;;;;3.6;;0.34;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM424576;MM424576;C#CC(C#N)=C(C)C=CF;XAXWOVIHLJZRGW-UHFFFAOYSA-N;135.14;1.94;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_C5";;;;;;;2.41;;0.64;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM424577;MM424577;CC(C1CC1O)C1(O)CC1;KTPDCOARNCQZPU-UHFFFAOYSA-N;142.2;0.53;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNda_SP1";;;;;;;0.04;;-2.73;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM424578;MM424578;N=CN=c1ccn(O)nn1;YOVHDWJPGMIVPQ-UHFFFAOYSA-N;139.12;-0.98;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP2_SP2";;;;;;;-1.34;;-4.31;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM424579;MM424579;C=COC=CC(C=C)CN;NLBIZOZFCYBGCH-UHFFFAOYSA-N;139.2;1.42;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_C5";;;;;;;1.64;;-2.63;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM424580;MM424580;CCC(CO)C1CC1NC;KGUHAXWCWKZDEV-UHFFFAOYSA-N;143.23;0.61;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nda_SNd";;;;;;;0.87;;-4.4;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM424581;MM424581;C=CNC1=NC(=NC)CN1;FDERTQTZRRCKRM-UHFFFAOYSA-N;138.17;-0.29;;;;;DOPC;MDCG;27;1;"MARTINI bead: SP2_SP1";;;;;;;-1.06;;-6.28;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM424582;MM424582;C#CC(C=O)=C(N)C=CC;IVOXBLWIKXFGMK-UHFFFAOYSA-N;135.17;0.61;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4_P1";;;;;;;1.37;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM424583;MM424583;CC(C1CC1F)C1(O)CC1;BKMQFPKCAKBYDN-UHFFFAOYSA-N;144.19;1.51;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC5_SP1";;;;;;;0.81;;-0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM424584;MM424584;O=CN=c1ccn(O)nn1;HGVZSWGXVVWXQP-UHFFFAOYSA-N;140.1;-1.43;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP2_SP2";;;;;;;-1.34;;-4.31;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM424585;MM424585;C=CNC1=NC(=NN)CN1;BDUMEYIMMOOHQE-UHFFFAOYSA-N;139.16;-1.05;;;;;DOPC;MDCG;27;1;"MARTINI bead: SP3_SP1";;;;;;;-1.93;;-6.75;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM424586;MM424586;CCC(CF)C1CC1NC;CUENOJXHKQFLMB-UHFFFAOYSA-N;145.22;1.59;;;;;DOPC;MDCG;27;1;"MARTINI bead: C4_SNd";;;;;;;2.2;;-2.2;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM424587;MM424587;C=COC=CC(C=C)CO;CIBRYJWKKUZUPS-UHFFFAOYSA-N;140.18;1.45;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda_C5";;;;;;;1.64;;0.05;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM424588;MM424588;C#CC(C#N)=C(N)C=CC;JYCJOBLWEZDWDM-UHFFFAOYSA-N;132.17;0.93;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4_P1";;;;;;;1.37;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM424589;MM424589;C=NN=c1ccn(C)nn1;VMYCZGFKFQRBOE-UHFFFAOYSA-N;137.15;-0.67;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP2_SP1";;;;;;;-1.06;;-3.82;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM424590;MM424590;CC(C1CC1O)C1(F)CC1;JWYQVEAESRMPJL-UHFFFAOYSA-N;144.19;1.51;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNda_SNa";;;;;;;0.87;;-1.99;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM424591;MM424591;CNC1CC1C(CN)CN;ZJIWSVDSZYZAPH-UHFFFAOYSA-N;143.23;-0.87;;;;;DOPC;MDCG;27;1;"MARTINI bead: SNd_P3";;;;;;;-1.1;;-6.94;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM424592;MM424592;C=COC=CC(C#N)CO;GAPFOMCUMCASLG-UHFFFAOYSA-N;139.15;0.79;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_C5";;;;;;;0.54;;-1.09;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM424593;MM424593;C=CNC1=NC(=NO)CN1;YKPQNQPSQMFGOO-UHFFFAOYSA-N;140.15;-0.53;;;;;DOPC;MDCG;27;1;"MARTINI bead: SP3_SP1";;;;;;;-1.93;;-6.19;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM424594;MM424594;C=NN=c1ccn(N)nn1;BLAYQNWGTVCGTF-UHFFFAOYSA-N;138.13;-1.49;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP2_SP2";;;;;;;-1.34;;-4.31;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM424595;MM424595;C#CC(C=O)=C(N)C=CF;RPTVRHJZLVIFTE-UHFFFAOYSA-N;139.13;0.51;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_P1";;;;;;;0.81;;-0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM424596;MM424596;CN(C1CC1N)C1(C)CC1;PHBDHUMIJGEMJP-UHFFFAOYSA-N;140.23;0.57;;;;;DOPC;MDCG;27;1;"MARTINI bead: SP2_SC5";;;;;;;0.54;;-3.02;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM424597;MM424597;O=COC=CC(C=O)CO;CMOKALCJAGJKIZ-UHFFFAOYSA-N;144.13;-0.52;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_Na";;;;;;;-0.24;;-3.24;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM424598;MM424598;N=c1nc(C=O)c(O)no1;FRVLGMNSOYWCSJ-UHFFFAOYSA-N;141.09;-0.93;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP3_SP2";;;;;;;-2.2;;-9.58;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM424599;MM424599;CNC1CC1C(CN)CO;VQKPOCSRWCURNL-UHFFFAOYSA-N;144.22;-0.84;;;;;DOPC;MDCG;27;1;"MARTINI bead: SNd_P2";;;;;;;-0.24;;-5.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM424600;MM424600;C=C(C1CC1C)C1(C)CC1;BKUYNEVDLMDXEK-UHFFFAOYSA-N;136.24;3;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC4_SC5";;;;;;;2.97;;0.45;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM424601;MM424601;C#CC(C#N)=C(N)C=CF;WTYSPPNHAAOMEZ-UHFFFAOYSA-N;136.13;0.84;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_P1";;;;;;;0.81;;-0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM424602;MM424602;C=NN=c1ccn(O)nn1;DCPSDRNNEOGDTN-UHFFFAOYSA-N;139.12;-0.97;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP2_SP1";;;;;;;-1.06;;-3.82;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM424603;MM424603;C=COC=CC(C=C)CF;OVPHVHGKNGTJQN-UHFFFAOYSA-N;142.17;2.43;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4_Na";;;;;;;2.2;;0.34;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM424604;MM424604;CCC=C1C=CC(=NN)O1;WETLPPVDTZQFJZ-UHFFFAOYSA-N;138.17;1.14;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC5_SNda";;;;;;;1.64;;0.05;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM424605;MM424605;CCC(NC)C1CC1NC;REJSPIGVEJARBD-UHFFFAOYSA-N;142.25;0.59;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_SNd";;;;;;;0.87;;-5.22;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM424606;MM424606;C#CC(C=C)=C(F)C=CC;NQZODTFTPMZACD-UHFFFAOYSA-N;136.17;2.61;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4_C4";;;;;;;3.53;;0.53;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM424607;MM424607;Cn1cnc(=NC=O)nn1;RQNMVIWDQFACOA-UHFFFAOYSA-N;139.12;-1.73;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP3_SP3";;;;;;;-3.07;;-6.15;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM424608;MM424608;C=C(C1CC1N)C1(C)CC1;NYWFTFVUSWZHHW-UHFFFAOYSA-N;137.23;1.69;;;;;DOPC;MDCG;27;1;"MARTINI bead: SC5_SNd";;;;;;;1.64;;-2.49;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM424609;MM424609;C=CC=C1C=CC(=NN)O1;CIPSDCLFUZIEFV-UHFFFAOYSA-N;136.15;0.91;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNda_SC5";;;;;;;1.64;;0.05;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM424610;MM424610;C=CC(C=COC=O)CF;SLFHBHYYVKEFDA-UHFFFAOYSA-N;144.15;1.44;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4_P1";;;;;;;1.37;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM424611;MM424611;CNC(CO)C1CC1NC;DTBNNMVRFGGGBZ-UHFFFAOYSA-N;144.22;-0.83;;;;;DOPC;MDCG;27;1;"MARTINI bead: P2_SNd";;;;;;;-0.24;;-5.65;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM424612;MM424612;C#CC(C=C)=C(F)C=CF;DPEHTNIVLFZUMV-UHFFFAOYSA-N;140.13;2.51;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_C4";;;;;;;2.97;;0.45;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM424613;MM424613;CCC1(O)C=CC(C)(C)C1;LXLQPYZNZWWSFH-UHFFFAOYSA-N;140.23;2.11;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC5_SC3";;;;;;;3.34;;0.48;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM424614;MM424614;Nn1cnc(=NC=O)nn1;DNKOJACBMKOHPJ-UHFFFAOYSA-N;140.11;-2.56;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP3_SP3";;;;;;;-3.07;;-6.15;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM424615;MM424615;C=CNC1=NC(=NO)CO1;RIBGWJCAYGGDQW-UHFFFAOYSA-N;141.13;-0.11;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP1_SNda";;;;;;;0.04;;-2.73;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM424616;MM424616;C=COC=CC(C#N)CF;HWFFNJVDXLTTNU-UHFFFAOYSA-N;141.15;1.77;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_C5";;;;;;;1.64;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM424617;MM424617;CCC(OC)C1CC1NC;PJQHNKJSUADEGK-UHFFFAOYSA-N;143.23;1.02;;;;;DOPC;MDCG;27;1;"MARTINI bead: Na_SNd";;;;;;;0.87;;-4.45;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM424618;MM424618;C#CC(C#N)=C(F)C=CC;JTHGZSNEKVGVSU-UHFFFAOYSA-N;135.14;1.94;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4_Na";;;;;;;2.2;;0.34;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM424619;MM424619;C=C(C1CC1F)C1(C)CC1;FBXAGFLDTSRVBA-UHFFFAOYSA-N;140.2;2.7;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC5_SC5";;;;;;;2.41;;0.64;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM424620;MM424620;C#CCC1=CC(=CC)CC1;ICBNQZXLGSKMGP-UHFFFAOYSA-N;132.21;2.68;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC3_SC4";;;;;;;3.9;;0.47;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM424621;MM424621;O=CN=c1ncn(O)nn1;DQSOJVNHCAUMAX-UHFFFAOYSA-N;141.09;-2.03;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP3_SP3";;;;;;;-3.07;;-6.15;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM424622;MM424622;C=CCC=CC(C=C)NC;PSJWCNBLJAWUJQ-UHFFFAOYSA-N;137.23;1.89;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_C2";;;;;;;2.83;;0.18;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM424623;MM424623;CCC(CC)C1CC1OC;YIMYKXVLPXXMJF-UHFFFAOYSA-N;142.24;2.46;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1_SNa";;;;;;;2.91;;0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM424624;MM424624;C=C(C1CC1C)C1(N)CC1;ULRZDADGCFJQFU-UHFFFAOYSA-N;137.23;1.69;;;;;DOPC;MDCG;27;1;"MARTINI bead: SC5_SNd";;;;;;;1.64;;-2.25;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM424625;MM424625;C#CC(C=O)=C(F)C=CF;JFVRPMZDSRWVNZ-UHFFFAOYSA-N;142.1;1.53;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_Na";;;;;;;1.64;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM424626;MM424626;C=NN=c1ncn(N)nn1;YANAIGMTLXIXOU-UHFFFAOYSA-N;139.12;-2.1;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP3_SP2";;;;;;;-2.2;;-5.19;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM424627;MM424627;C#CCC1=CC(=CF)CC1;YEYXWUPEGVVFLX-UHFFFAOYSA-N;136.17;2.58;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC4_SC4";;;;;;;3.53;;0.53;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM424628;MM424628;CCC(CN)C1CC1OC;UHAYKBIWODHIPU-UHFFFAOYSA-N;143.23;1.01;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_SNa";;;;;;;0.87;;-4.68;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM424629;MM424629;C=CC(C=CCC=O)NC;ZRKMBUDDAOKBDQ-UHFFFAOYSA-N;139.2;0.91;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_Na";;;;;;;0.87;;-3.5;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM424630;MM424630;C=C(C1CN1C)C1(C)CC1;JCEMBCCZRCPMET-UHFFFAOYSA-N;137.23;1.66;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNd_SC5";;;;;;;1.64;;0.03;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM424631;MM424631;C#CC(C#N)=C(F)C=CF;LXBOCZNCXHEGIJ-UHFFFAOYSA-N;139.1;1.85;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_Na";;;;;;;1.64;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM424632;MM424632;C=NN=c1ncn(O)nn1;SHUUJUXLVRMEFZ-UHFFFAOYSA-N;140.11;-1.57;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP3_SP2";;;;;;;-2.2;;-5.19;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM424633;MM424633;C#CC=C1C=CC(=NN)O1;DDNFPGXNFSJSAE-UHFFFAOYSA-N;134.14;0.36;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNda_SN0";;;;;;;1.17;;-1.13;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM424634;MM424634;C=CC(C=CCC#N)NC;PYXYMMYNXVLFMN-UHFFFAOYSA-N;136.2;1.23;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_N0";;;;;;;1.17;;-2.76;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM424635;MM424635;CCC(CO)C1CC1OC;SZIOVXGZKARICL-UHFFFAOYSA-N;144.21;1.04;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda_SNa";;;;;;;0.87;;-1.99;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM424636;MM424636;C#CC(C=C)=C(C)C=NO;PSKBJNVYFCPKCB-UHFFFAOYSA-N;135.17;1.58;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_C3";;;;;;;1.74;;0.29;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM424637;MM424637;CC1CN1C(=N)C1(C)CC1;KERAFXFTLYMBGE-UHFFFAOYSA-N;138.21;1.47;;;;;DOPC;MDCG;27;1;"MARTINI bead: SP1_SC5";;;;;;;0.81;;-4.39;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM424638;MM424638;CC(C)(O)C1CC1;ITQVACMQJLOIDS-UHFFFAOYSA-N;100.16;1.17;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda_SC5";;;;;;;1.64;;0.05;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM424639;MM424639;C#CCC1=CC(=NO)CC1;KKOKFEWDBYVRIR-UHFFFAOYSA-N;135.17;1.56;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNda_SC4";;;;;;;2.2;;0.49;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM424640;MM424640;CNC(C#N)C=CCC#N;KASGYJPXBRHRRS-UHFFFAOYSA-N;135.17;0.57;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_P1";;;;;;;-0.79;;-3.13;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM424641;MM424641;C#CC(C=C)=C(F)C=NN;KCEBUECCQBYBAN-UHFFFAOYSA-N;138.15;0.97;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_C4";;;;;;;1.37;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM424642;MM424642;CNC(CO)C1CC1OC;APRCBUXGDYKOQV-UHFFFAOYSA-N;145.2;-0.4;;;;;DOPC;MDCG;27;1;"MARTINI bead: P2_SNa";;;;;;;-0.24;;-5.65;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM424643;MM424643;CCC1C(C)C1C1(C)CC1;SZSQQAZTINQXFR-UHFFFAOYSA-N;138.25;3.08;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC3_SC5";;;;;;;3.34;;0.48;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM424644;MM424644;CNN=c1ncc(F)no1;TUFVHNYCVXQCEV-UHFFFAOYSA-N;144.11;-0.76;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP3_SP2";;;;;;;-2.2;;-5.19;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM424645;MM424645;C#CCC1=CC(=NC)NC1;DZFDRSNVHJBTDG-UHFFFAOYSA-N;134.18;0.57;;;;;DOPC;MDCG;27;1;"MARTINI bead: SNd_SP1";;;;;;;0.04;;-5.77;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM424646;MM424646;C=CC(C=CNC=N)NC;XSNDYAJUSYOEFT-UHFFFAOYSA-N;139.2;0.47;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_P3";;;;;;;-1.1;;-7.67;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM424647;MM424647;CC=NNCC(C)(C)C#N;SFJXDVARWMBHOD-UHFFFAOYSA-N;139.2;1.13;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nd_N0";;;;;;;1.17;;-1.04;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM424648;MM424648;C#CC(C#C)=C(C)C=CC;ZQMAURWZHGZUAY-UHFFFAOYSA-N;130.19;2.15;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4_C4";;;;;;;3.53;;0.53;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM424649;MM424649;CCC(OC)C1CC1OC;FLCUZTVJUPJXOJ-UHFFFAOYSA-N;144.21;1.45;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_SNa";;;;;;;0.87;;-2.22;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM424650;MM424650;CON=c1ncc(C)no1;SNMLJQAEVKIEMA-UHFFFAOYSA-N;141.13;-0.16;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP3_SP1";;;;;;;-1.93;;-4.72;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM424651;MM424651;Cn1c(=O)on(N)c1=NN;ZRIBLBWKGPICLI-UHFFFAOYSA-N;145.12;-2.73;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP2_SP3";;;;;;;-2.2;;-5.19;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM424652;MM424652;C=CC(C=CNC=O)NC;GHYWOMIOONILGZ-UHFFFAOYSA-N;140.19;0.02;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_P3";;;;;;;-1.1;;-5.38;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM424653;MM424653;CCC1C(C2(N)CC2)N1C;WVKVUHVKZGMXLS-UHFFFAOYSA-N;140.23;0.57;;;;;DOPC;MDCG;27;1;"MARTINI bead: SNd_SP1";;;;;;;0.04;;-4.69;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM424654;MM424654;C#CC(C#C)=C(F)C=CC;COYYCSAOQUBGRA-UHFFFAOYSA-N;134.15;2.05;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4_C5";;;;;;;2.97;;0.45;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM424655;MM424655;COC(CO)C1CC1OC;KXCRTNOFNZFXSO-UHFFFAOYSA-N;146.19;0.03;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_SNa";;;;;;;-0.24;;-3.24;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM424656;MM424656;CON=c1ncc(F)no1;GXLJLGSPCPTGNB-UHFFFAOYSA-N;145.09;-0.33;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP3_SP1";;;;;;;-1.93;;-4.72;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM424657;MM424657;CNC(C#N)C=CNC=N;NLPOHRDNYDUMPU-UHFFFAOYSA-N;138.17;-0.19;;;;;DOPC;MDCG;27;1;"MARTINI bead: P2_P2";;;;;;;-1.34;;-8.08;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM424658;MM424658;C#CCC1=CC(=CC)OC1;OYRDEAZVJPQKMI-UHFFFAOYSA-N;134.18;1.87;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC5_SN0";;;;;;;1.94;;0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM424659;MM424659;CN1C(CN)C1C1(C)CN1;AIWFXTRUUAGFRB-UHFFFAOYSA-N;141.22;-1.01;;;;;DOPC;MDCG;27;1;"MARTINI bead: SP2_SP1";;;;;;;-1.06;;-5.76;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM424660;MM424660;C#CC(C#C)=C(F)C=CF;VRVLSGZVEHIMJR-UHFFFAOYSA-N;138.12;1.96;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_C5";;;;;;;2.41;;0.64;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM424661;MM424661;CCN(CC)C1CC1CN;AMNVCLRNKWZWBQ-UHFFFAOYSA-N;142.25;0.68;;;;;DOPC;MDCG;27;1;"MARTINI bead: C5_SNd";;;;;;;1.64;;-2.59;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM424662;MM424662;Cc1cnc(=NC=N)on1;CFNKDINYCGYNQL-UHFFFAOYSA-N;138.13;-0.11;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP3_SP2";;;;;;;-2.2;;-5.19;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM424663;MM424663;C=COC=CC(C=C)NC;VIXSTUUMAMVBSF-UHFFFAOYSA-N;139.2;1.43;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_C5";;;;;;;1.64;;-1.39;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM424664;MM424664;CCN1C(C)C1C1(C)CO1;UUXZEJIWVYBRHF-UHFFFAOYSA-N;141.21;0.87;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNd_SNa";;;;;;;0.87;;-1.88;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM424665;MM424665;C#CCC1=CC(=CF)OC1;OAPZMDJIVCSSHO-UHFFFAOYSA-N;138.14;1.78;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNa_SN0";;;;;;;1.17;;-1.18;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM424666;MM424666;CCN(CC)C1CC1CO;VOMRXLHUYRDVCY-UHFFFAOYSA-N;143.23;0.71;;;;;DOPC;MDCG;27;1;"MARTINI bead: C5_SNda";;;;;;;1.64;;-1.95;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM424667;MM424667;C#CC(C#C)=C(C)C=NN;KFCSHSGYUOCDMM-UHFFFAOYSA-N;132.17;0.51;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_C4";;;;;;;1.37;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM424668;MM424668;C=COC=CC(C#N)NC;YTCUSOMJYHGWAM-UHFFFAOYSA-N;138.17;0.77;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_C5";;;;;;;0.54;;-1.09;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM424669;MM424669;Cc1cnc(=NC=O)on1;PTOKWHHDLLLHOD-UHFFFAOYSA-N;139.11;-0.56;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP3_SP2";;;;;;;-2.2;;-5.19;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM424670;MM424670;Cn1oc(=O)n(N)c1=NN;BUFSYRRMOPWOFK-UHFFFAOYSA-N;145.12;-2.73;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP3_SP2";;;;;;;-2.2;;-5.19;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM424671;MM424671;C=CC1C(N)C1C1(C)CN1;FYWVSFSCZRDDPY-UHFFFAOYSA-N;138.21;0.11;;;;;DOPC;MDCG;27;1;"MARTINI bead: SP1_SNd";;;;;;;0.04;;-4.89;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM424672;MM424672;CCN(CC)C1CC1NC;LXKKQCXBMOVPTP-UHFFFAOYSA-N;142.25;0.69;;;;;DOPC;MDCG;27;1;"MARTINI bead: C5_SNd";;;;;;;1.64;;-2.08;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM424673;MM424673;C#CC(C#C)=C(C)C=NO;SCFYHCILJPFEPI-UHFFFAOYSA-N;133.15;1.03;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_C4";;;;;;;1.37;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM424674;MM424674;CNC(C#N)C=COC=O;LCACTQPUUABXPM-UHFFFAOYSA-N;140.14;-0.22;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_Na";;;;;;;-0.24;;-3.24;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM424675;MM424675;C=NN=c1ncc(C)no1;HRBBOTGNRNLSOT-UHFFFAOYSA-N;138.13;-0.11;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP3_SP1";;;;;;;-1.93;;-4.72;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM424676;MM424676;C=CC1C(C2(C)CC2)N1C;DLYWZPYDAOCEHK-UHFFFAOYSA-N;137.23;1.66;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNd_SC5";;;;;;;1.64;;0.03;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM424677;MM424677;C#CCC1=CC(=NO)OC1;FZAAUFAORFGKSY-UHFFFAOYSA-N;137.14;0.75;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP1_SN0";;;;;;;0.34;;-1.53;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM424678;MM424678;C#CC(C#C)=C(F)C=NN;KBXQGJLOHIJUSV-UHFFFAOYSA-N;136.13;0.42;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_C5";;;;;;;0.81;;-0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM424679;MM424679;CCC(CN)C1NC1CC;DOBJEBPVAVYFPV-UHFFFAOYSA-N;142.25;0.72;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_SNd";;;;;;;0.87;;-4.59;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM424680;MM424680;C=CCC=CC(C=C)OC;UINSLBDUNTYFOM-UHFFFAOYSA-N;138.21;2.32;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_C2";;;;;;;2.83;;0.35;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM424681;MM424681;CCCC1=CCC(N)CC1;BFPCTQYNIPGTMY-UHFFFAOYSA-N;139.24;2.22;;;;;DOPC;MDCG;27;1;"MARTINI bead: SC1_SNd";;;;;;;2.91;;-0.74;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM424682;MM424682;C=CC1=CC(=NN)OC1=C;XNJWPJXANHDHAE-UHFFFAOYSA-N;136.15;0.91;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNda_SC5";;;;;;;1.64;;0.05;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM424683;MM424683;C=CC1C(C2(C)CO2)N1C;KFZJCOYWKPIYKA-UHFFFAOYSA-N;139.2;0.64;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNd_SNa";;;;;;;0.87;;-1.88;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM424684;MM424684;C=CC(C=CCC=O)OC;VAKJMXOKCHMUJJ-UHFFFAOYSA-N;140.18;1.33;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_Na";;;;;;;0.87;;-2.22;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM424685;MM424685;CCC1NC1C(CN)CN;BOUBOHJYIMRHAC-UHFFFAOYSA-N;143.23;-0.73;;;;;DOPC;MDCG;27;1;"MARTINI bead: SNd_P3";;;;;;;-1.1;;-6.34;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM424686;MM424686;CC#CC(C)=C(CC)CN;OVUYTVQYYXYRNJ-UHFFFAOYSA-N;137.23;1.69;;;;;DOPC;MDCG;27;1;"MARTINI bead: C5_N0";;;;;;;1.94;;-0.97;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM424687;MM424687;CCCC1=CCN(C)CC1;ZQWLLPJEMKHNPU-UHFFFAOYSA-N;139.24;2.05;;;;;DOPC;MDCG;27;1;"MARTINI bead: SC5_SNd";;;;;;;1.64;;-1.37;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM424688;MM424688;C#CC1=CC(=NN)OC1=C;QOFNCBBFIKLWTK-UHFFFAOYSA-N;134.14;0.36;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNda_SN0";;;;;;;1.17;;-1.13;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM424689;MM424689;C=NN1C(C)C1C1(C)CC1;QRCKJSCYYBOZJZ-UHFFFAOYSA-N;138.21;1.47;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP1_SC5";;;;;;;0.81;;-0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM424690;MM424690;C=CC(C=CCC#N)OC;LYUSKSJNYIXURR-UHFFFAOYSA-N;137.18;1.66;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_N0";;;;;;;1.17;;-1.18;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM424691;MM424691;CCC1NC1C(CN)CO;PDJRRJRQRLULEU-UHFFFAOYSA-N;144.22;-0.7;;;;;DOPC;MDCG;27;1;"MARTINI bead: SNd_P2";;;;;;;-0.24;;-5.26;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM424692;MM424692;CC#CC(C)=C(CN)CO;RPGRGMSXFBAHOE-UHFFFAOYSA-N;139.2;0.28;;;;;DOPC;MDCG;27;1;"MARTINI bead: N0_P1";;;;;;;0.34;;-3.37;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM424693;MM424693;CC1CC=C(CC#N)CC1;DWEIANCWGKYUMI-UHFFFAOYSA-N;135.21;2.65;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC3_SC5";;;;;;;3.34;;0.48;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM424694;MM424694;C=CC1=C(C)CC(=NN)O1;QLJZPPHRIJVAQY-UHFFFAOYSA-N;138.17;1.14;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC5_SNda";;;;;;;1.64;;0.05;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM424695;MM424695;C#CC=CCC(C)(O)CC;SINDUBUSVULEEL-UHFFFAOYSA-N;138.21;1.73;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda_C4";;;;;;;2.2;;0.49;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM424696;MM424696;CC#CC(C)=C(CN)CF;APRMIWBIVSHVGE-UHFFFAOYSA-N;141.19;1.25;;;;;DOPC;MDCG;27;1;"MARTINI bead: N0_Nda";;;;;;;1.17;;-3.26;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM424697;MM424697;CCC(CC)C1NC1CN;YVNBOYFMTBDGDG-UHFFFAOYSA-N;142.25;0.72;;;;;DOPC;MDCG;27;1;"MARTINI bead: C1_SP2";;;;;;;1.8;;-0.85;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM424698;MM424698;COC(C#N)C=CCC=O;SBMMHXVPPGCIJY-UHFFFAOYSA-N;139.15;0.67;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_Na";;;;;;;0.87;;-2.22;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM424699;MM424699;CCN1CC(=O)C1;QLFSGHRDIYYARJ-UHFFFAOYSA-N;99.13;-0.11;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNd_SP3";;;;;;;-1.1;;-3.93;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM424700;MM424700;C#CCc1cc(=NN)o[nH]1;FQEKOPRCSMLARB-UHFFFAOYSA-N;137.14;-0.44;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP2_SNd";;;;;;;-0.24;;-3.16;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM424701;MM424701;C=NN1C(C)C1C1(C)CO1;GOBQPRSRHYSHEL-UHFFFAOYSA-N;140.19;0.46;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP1_SNa";;;;;;;0.04;;-2.54;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM424702;MM424702;CCC(CN)C1NC1CN;KORFVNPGSPAEKP-UHFFFAOYSA-N;143.23;-0.73;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_SP2";;;;;;;-0.24;;-5.73;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM424703;MM424703;CC#CC(F)=C(CC)CC;KWYXVTKJWDDBDY-UHFFFAOYSA-N;140.2;3.05;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1_N0";;;;;;;3.21;;0.46;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM424704;MM424704;COC(C=O)C=CCC#N;IUNKLCBWCJONRL-UHFFFAOYSA-N;139.15;0.67;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_N0";;;;;;;0.34;;-1.53;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM424705;MM424705;CC1CC=C(NC=N)CC1;NHVLOTHYJDGJRY-UHFFFAOYSA-N;138.21;1.89;;;;;DOPC;MDCG;27;1;"MARTINI bead: SC3_SNd";;;;;;;2.57;;-2.51;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM424706;MM424706;CC1C(C#N)N1C1(C)CC1;ACOXXKUFYOBTAH-UHFFFAOYSA-N;136.2;1.14;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP2_SNd";;;;;;;-0.24;;-3.16;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM424707;MM424707;C#CCc1cc(=NO)o[nH]1;XWDLDWGZNWBELY-UHFFFAOYSA-N;138.13;0.07;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP2_SNd";;;;;;;-0.24;;-3.16;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM424708;MM424708;CC#CC(F)=C(CN)CO;RODTZXNVHNYGGX-UHFFFAOYSA-N;143.16;0.18;;;;;DOPC;MDCG;27;1;"MARTINI bead: N0_P2";;;;;;;0.06;;-3.96;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM424709;MM424709;CCC(CO)C1NC1CN;MFQILOHDQXIGPS-UHFFFAOYSA-N;144.22;-0.7;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nda_SP2";;;;;;;-0.24;;-5.25;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM424710;MM424710;COC(C=O)C=CN=CN;ZKMCOOUVDLELBC-UHFFFAOYSA-N;142.16;-0.3;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1_Nd";;;;;;;0.04;;-5.89;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM424711;MM424711;C=CCC1=CCN(C)CC1;CDPFQOHVBIEMJG-UHFFFAOYSA-N;137.23;1.82;;;;;DOPC;MDCG;27;1;"MARTINI bead: SNd_SN0";;;;;;;1.17;;-2.6;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM424712;MM424712;C#CC1C(N)C1C1(N)CC1;SKQROJAWVGCACR-UHFFFAOYSA-N;136.2;-0.32;;;;;DOPC;MDCG;27;1;"MARTINI bead: SP1_SP1";;;;;;;-0.79;;-5.76;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM424713;MM424713;C#CCC1=CC(=CC)CO1;BEKJNPZXFHFOCN-UHFFFAOYSA-N;134.18;1.87;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC5_SNa";;;;;;;1.64;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM424714;MM424714;CC#CC(C)=C(CO)OC;MEWOFZBURRYJRJ-UHFFFAOYSA-N;140.18;0.92;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda_N0";;;;;;;1.17;;-1.13;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM424715;MM424715;COC(C=O)C=CNC=O;PQCSESUWYIASKM-UHFFFAOYSA-N;143.14;-0.54;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_P3";;;;;;;-1.1;;-4.2;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM424716;MM424716;NCC(CN)C1NC1CN;TVVKARSLMSJXOA-UHFFFAOYSA-N;144.22;-2.18;;;;;DOPC;MDCG;27;1;"MARTINI bead: P3_SP2";;;;;;;-2.2;;-7.69;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM424717;MM424717;CN1CC=C(CC#N)CC1;YBMLSQVFGQESAY-UHFFFAOYSA-N;136.2;1.16;;;;;DOPC;MDCG;27;1;"MARTINI bead: SNd_SP1";;;;;;;0.04;;-3.76;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM424718;MM424718;C#CCC1=CC(=CF)CO1;IUIPEXHYCORAQX-UHFFFAOYSA-N;138.14;1.78;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNa_SNa";;;;;;;0.87;;-2.22;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM424719;MM424719;C#CC1C(N)C1C1(O)CC1;VIBWBRJUNFSFRH-UHFFFAOYSA-N;137.18;-0.28;;;;;DOPC;MDCG;27;1;"MARTINI bead: SP1_SP1";;;;;;;-0.79;;-5.04;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM424720;MM424720;C=COC=CC(C=C)OC;IMEZKLDKRPSMES-UHFFFAOYSA-N;140.18;1.86;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_C5";;;;;;;1.64;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM424721;MM424721;CC#CC(C)=C(C#N)CC;GUSNFBDNBAODQT-UHFFFAOYSA-N;133.19;2.26;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4_N0";;;;;;;2.5;;0.44;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM424722;MM424722;CCC(CN)C1NC1CO;DVVBPNHTNWKASP-UHFFFAOYSA-N;144.22;-0.7;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_SP2";;;;;;;-0.24;;-5.61;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM424723;MM424723;C#CCC1=CCC(C)CC1;PXXAAIXZNUNQLI-UHFFFAOYSA-N;134.22;2.76;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC3_SC3";;;;;;;4.27;;0.2;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM424724;MM424724;Cn1cc(N)c(=NN)nn1;FZEXLDRKCUWNOQ-UHFFFAOYSA-N;140.15;-1.83;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP2_SP2";;;;;;;-1.34;;-4.31;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM424725;MM424725;C#CC1C(C)C1C1(F)CC1;GZYOYHOBKDRAAS-UHFFFAOYSA-N;138.19;2;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC5_SNa";;;;;;;1.64;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM424726;MM424726;C=CC(CN)=C(C)C#CC;JTZSYUPUQASONL-UHFFFAOYSA-N;135.21;1.47;;;;;DOPC;MDCG;27;1;"MARTINI bead: N0_C5";;;;;;;1.94;;-0.93;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM424727;MM424727;C=COC=CC(C=O)OC;NTLDHAQLOVHPTL-UHFFFAOYSA-N;142.15;0.87;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_Na";;;;;;;0.87;;-2.22;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM424728;MM424728;Cn1ocnc1=NN;HOGLAGBDMOBCSV-UHFFFAOYSA-N;114.11;-1.21;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP1_SP2";;;;;;;-1.06;;-3.82;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM424729;MM424729;NCC(CN)C1NC1CO;CIBQQZXIHRKKLL-UHFFFAOYSA-N;145.21;-2.15;;;;;DOPC;MDCG;27;1;"MARTINI bead: P3_SP2";;;;;;;-2.2;;-7.58;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM424730;MM424730;C#CCC1=CC(=NO)CO1;QIKGEOCLWNFBGN-UHFFFAOYSA-N;137.14;0.75;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNda_SNa";;;;;;;0.87;;-1.99;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM424731;MM424731;C#CC1C(N)C1C1(F)CC1;IBDBRJTUCSKOGK-UHFFFAOYSA-N;139.17;0.7;;;;;DOPC;MDCG;27;1;"MARTINI bead: SP1_SNa";;;;;;;0.04;;-4.73;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM424732;MM424732;C=COC=CC(C#N)OC;NWTHDTHCNKTUBH-UHFFFAOYSA-N;139.15;1.2;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_Na";;;;;;;0.87;;-2.22;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM424733;MM424733;Cc1nc(N)c(N)o1;YZSMGZLIZMNUIT-UHFFFAOYSA-N;113.12;0.15;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNa_SP1";;;;;;;0.04;;-2.54;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM424734;MM424734;CC#CC(C)=C(C=O)CO;PDEHYOZSLAPKGC-UHFFFAOYSA-N;138.17;0.52;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_P2";;;;;;;0.54;;-1.09;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM424735;MM424735;C#CCC1=CCN(C)CC1;CJDHHGZGSDPTDD-UHFFFAOYSA-N;135.21;1.27;;;;;DOPC;MDCG;27;1;"MARTINI bead: SNd_SN0";;;;;;;1.17;;-2.55;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM424736;MM424736;C#CC1C(C2(C)CC2)N1C;MVWXJASGEKZQSY-UHFFFAOYSA-N;135.21;1.1;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP1_SC5";;;;;;;0.81;;-0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM424737;MM424737;Cn1ocnc(=NN)c1=N;SZWLCVMBKACSQF-UHFFFAOYSA-N;141.13;-1.73;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP3_SP2";;;;;;;-2.2;;-5.19;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM424738;MM424738;NCC(CN)C1NC1CF;FRTBYZHNLROFIM-UHFFFAOYSA-N;147.2;-1.17;;;;;DOPC;MDCG;27;1;"MARTINI bead: P3_SP1";;;;;;;-1.93;;-7.1;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM424740;MM424740;C=C1CC=C(CCC)CC1;OMAJUXWNJABIEL-UHFFFAOYSA-N;136.24;3.45;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC1_SC4";;;;;;;4.24;;0.42;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM424739;MM424739;C#CCCCCC(C)(C)O;KAFGPFJIXYZFNX-UHFFFAOYSA-N;140.23;1.95;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda_C1";;;;;;;2.91;;0.57;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM424741;MM424741;CC#CC(C)=C(C#N)CO;QOSUHMKKVHEHJH-UHFFFAOYSA-N;135.17;0.84;;;;;DOPC;MDCG;27;0;"MARTINI bead: N0_Nda";;;;;;;1.17;;-1.13;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM424742;MM424742;C#CC1C(C2(N)CC2)N1C;FXSXDPZLHLQBGK-UHFFFAOYSA-N;136.2;-0.21;;;;;DOPC;MDCG;27;1;"MARTINI bead: SP1_SP1";;;;;;;-0.79;;-5.16;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM424743;MM424743;N=c1c(=NN)ncon1N;YEHJGXATNQRAED-UHFFFAOYSA-N;142.12;-2.56;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP3_SP2";;;;;;;-2.2;;-5.19;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM424744;MM424744;CCC(C=O)C=NNC=O;SYAVAOPEPRZDSA-UHFFFAOYSA-N;142.16;-0.06;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_P2";;;;;;;0.54;;-1.09;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM424745;MM424745;CCCC1=CCC(=O)CC1;BHBGSDKDKBOHBZ-UHFFFAOYSA-N;138.21;2.47;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC1_SNa";;;;;;;2.91;;0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM424746;MM424746;CCC(NC)C1NC1CC;FWDFLHOKMZQQPC-UHFFFAOYSA-N;142.25;0.73;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_SNd";;;;;;;0.87;;-4.45;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM424747;MM424747;CC#CC(N)=C(C#N)CC;OWTJSSXETBMUEK-UHFFFAOYSA-N;134.18;1.16;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nd_N0";;;;;;;1.17;;-1.04;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM424748;MM424748;C#CC(F)CC(=O)C(=N)N;ZVEGPQMUXSTNGC-UHFFFAOYSA-N;142.13;-0.15;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_Na";;;;;;;-0.24;;-3.24;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM424749;MM424749;C#CCc1cc(NO)no1;JBJKTLDJMVLORQ-UHFFFAOYSA-N;138.13;0.65;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNda_SN0";;;;;;;1.17;;-1.13;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM424750;MM424750;C=CC(C=NNC=O)CN;YTMVPTRAYPQTFO-UHFFFAOYSA-N;141.17;-0.52;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_P2";;;;;;;-0.24;;-5.25;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM424751;MM424751;CCCC1=CNC(=N)CC1;SYXSNRDNDKSLND-UHFFFAOYSA-N;138.21;2.03;;;;;DOPC;MDCG;27;1;"MARTINI bead: SC5_SNd";;;;;;;1.64;;-4.41;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM424752;MM424752;CCC1NC1C(CN)NC;QRZWJLKMLRDVIB-UHFFFAOYSA-N;143.23;-0.72;;;;;DOPC;MDCG;27;1;"MARTINI bead: SNd_P3";;;;;;;-1.1;;-5.75;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM424753;MM424753;CC#CC(N)=C(C=O)CO;RQJWKHLBCODDDV-UHFFFAOYSA-N;139.15;-0.59;;;;;DOPC;MDCG;27;0;"MARTINI bead: N0_P3";;;;;;;-0.8;;-2.99;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM424754;MM424754;C#CC1C(C2(C)CO2)N1C;QJKMXFWESFRURL-UHFFFAOYSA-N;137.18;0.09;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP1_SNa";;;;;;;0.04;;-2.54;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM424755;MM424755;C=CC(C=NNC=O)CO;MOOBLEHEBLKKAL-UHFFFAOYSA-N;142.16;-0.49;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda_P2";;;;;;;-0.24;;-3.31;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM424756;MM424756;CC=CC1=CC(=CC)CC1;RGGRDDLKPZRPPE-UHFFFAOYSA-N;134.22;3.23;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC2_SC3";;;;;;;4.53;;0.32;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM424757;MM424757;CCCC1=CNC(=O)CC1;ZVJCYBISWXBWJG-UHFFFAOYSA-N;139.2;1.58;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC5_SP1";;;;;;;0.81;;-0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM424758;MM424758;CCC1NC1C(CO)NC;WSJHQNRWMDWCGU-UHFFFAOYSA-N;144.22;-0.68;;;;;DOPC;MDCG;27;1;"MARTINI bead: SNd_P2";;;;;;;-0.24;;-4.76;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM424759;MM424759;CC#CC(N)=C(C#N)CF;FYERIYGLDVZNFY-UHFFFAOYSA-N;138.15;0.72;;;;;DOPC;MDCG;27;0;"MARTINI bead: N0_Nda";;;;;;;1.17;;-1.13;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM424760;MM424760;CCC1CC1CC1(C)CC1;VXECYDSROYTFQZ-UHFFFAOYSA-N;138.25;3.22;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC3_SC5";;;;;;;3.34;;0.48;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM424761;MM424761;CC(=O)ON=C(N)C=NN;IHDXAWSTCJMIJC-UHFFFAOYSA-N;144.13;-1.23;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_P1";;;;;;;-0.79;;-3.13;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM424762;MM424762;C=C1CCC(CCC)=CO1;NAOPPXMHCVNOTP-UHFFFAOYSA-N;138.21;2.99;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC4_SC5";;;;;;;2.97;;0.45;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM424763;MM424763;CC=CC1=CC(=CF)CC1;CLVGXEXBPOPQGT-UHFFFAOYSA-N;138.19;3.14;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC2_SC4";;;;;;;4.16;;0.44;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM424764;MM424764;C=CC(CC)=C(F)C#CC;MSIPKYPOKBGCLK-UHFFFAOYSA-N;138.19;2.83;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1_N0";;;;;;;3.21;;0.46;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM424765;MM424765;CCC(NC)C1NC1CN;VMIAOGWHFKVFML-UHFFFAOYSA-N;143.23;-0.72;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_SP2";;;;;;;-0.24;;-5.63;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM424766;MM424766;CCC1CC1CC1(N)CC1;AXGVGKBMVAPHAK-UHFFFAOYSA-N;139.24;1.91;;;;;DOPC;MDCG;27;1;"MARTINI bead: SC3_SNd";;;;;;;2.57;;-1.59;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM424767;MM424767;O=CNN=CC(C=O)CO;DGTRTDYQJALNKF-UHFFFAOYSA-N;144.13;-1.47;;;;;DOPC;MDCG;27;0;"MARTINI bead: P3_Nda";;;;;;;-1.1;;-3.97;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM424768;MM424768;CC=C1C=C(C=NN)CC1;GRVKHCLDUYHVHR-UHFFFAOYSA-N;136.2;1.6;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC3_SNd";;;;;;;2.57;;0.53;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM424769;MM424769;CCCC1=CCC(=N)NC1;JEMQVYKUAVGZQA-UHFFFAOYSA-N;138.21;1.68;;;;;DOPC;MDCG;27;1;"MARTINI bead: SC5_SNd";;;;;;;1.64;;-4.18;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM424770;MM424770;CC#CC(F)=C(C#N)CC;KTZUCVHGMGBCTG-UHFFFAOYSA-N;137.16;2.17;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_N0";;;;;;;1.94;;0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM424771;MM424771;NCC1CC1CC1(O)CC1;HHWFLOKAXLOKON-UHFFFAOYSA-N;141.21;0.5;;;;;DOPC;MDCG;27;1;"MARTINI bead: SNd_SP1";;;;;;;0.04;;-5.43;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM424772;MM424772;CCC(NC)C1NC1CO;CNPLGZLQLQAWGA-UHFFFAOYSA-N;144.22;-0.68;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_SP2";;;;;;;-0.24;;-5.19;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM424773;MM424773;N#CC(C=NNC=O)CO;HWGNJHUMEIRFJQ-UHFFFAOYSA-N;141.13;-1.15;;;;;DOPC;MDCG;27;0;"MARTINI bead: P3_Nda";;;;;;;-1.1;;-3.97;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM424774;MM424774;NN=CC1=CC(=CF)CC1;WYJFEMWZHVGUBJ-UHFFFAOYSA-N;140.16;1.5;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNd_SC4";;;;;;;2.2;;0.32;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM424775;MM424775;C=C1CC=C(CCC)CO1;VNVDTCUZXVFKFY-UHFFFAOYSA-N;138.21;2.65;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC4_SNa";;;;;;;2.2;;0.34;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM424776;MM424776;CCC1CC1OC1(C)CC1;DOEZVUYNMFAUOV-UHFFFAOYSA-N;140.23;2.35;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNa_SC5";;;;;;;1.64;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM424777;MM424777;C=CC(CN)=C(F)C#CC;JXHOIVIKEJPIJY-UHFFFAOYSA-N;139.17;1.38;;;;;DOPC;MDCG;27;1;"MARTINI bead: N0_Nda";;;;;;;1.17;;-3.22;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM424778;MM424778;CNC(CN)C1NC1CO;OFMAORBLBPWMER-UHFFFAOYSA-N;145.21;-2.13;;;;;DOPC;MDCG;27;1;"MARTINI bead: P3_SP2";;;;;;;-2.2;;-6.92;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM424779;MM424779;C=CC(C=NNC=O)CF;UZYIAFJNOMKPJT-UHFFFAOYSA-N;144.15;0.49;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_P2";;;;;;;0.54;;-1.09;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM424780;MM424780;Cc1onnc(=NN)c1N;SQVIHZFPMCLURE-UHFFFAOYSA-N;141.13;-1.27;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP2_SP2";;;;;;;-1.34;;-4.31;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM424781;MM424781;CCCC1=CCC(=O)OC1;IUDVBVAHLJPWRD-UHFFFAOYSA-N;140.18;1.66;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC4_SNa";;;;;;;2.2;;0.34;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM424782;MM424782;CCC1CC1CC1(C)CO1;SDXIOXLFVAGOHJ-UHFFFAOYSA-N;140.23;2.21;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC3_SNa";;;;;;;2.57;;0.45;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM424783;MM424783;CC#CC(F)=C(C=O)CO;MBFRNVMJJGEUEV-UHFFFAOYSA-N;142.13;0.42;;;;;DOPC;MDCG;27;0;"MARTINI bead: N0_P1";;;;;;;0.34;;-1.53;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM424784;MM424784;CCC(NC)C1NC1CF;QKYPDTQRURDUDM-UHFFFAOYSA-N;146.21;0.29;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_SP1";;;;;;;0.04;;-4.96;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM424785;MM424785;C=CC(C=NOC=O)CC;KCSJCWFAIMYCCD-UHFFFAOYSA-N;141.17;1.36;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1_P1";;;;;;;2.08;;0.48;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM424786;MM424786;CCCC1=CNC(=N)OC1;YBUDZELKDAGVCU-UHFFFAOYSA-N;140.19;1.22;;;;;DOPC;MDCG;27;1;"MARTINI bead: SN0_SP1";;;;;;;0.34;;-2.56;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM424787;MM424787;C=C1C(=NN)OCC1CC;MORDUGTXHRNDFJ-UHFFFAOYSA-N;140.19;0.87;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC5_SNda";;;;;;;1.64;;0.05;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM424788;MM424788;CC1(CC2CC2CN)CO1;WOWQHDYRFXTUCT-UHFFFAOYSA-N;141.21;0.76;;;;;DOPC;MDCG;27;1;"MARTINI bead: SNa_SNd";;;;;;;0.87;;-4.68;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM424789;MM424789;CC#CC(F)=C(C#N)CO;KWFDITIYGFOPMG-UHFFFAOYSA-N;139.13;0.75;;;;;DOPC;MDCG;27;0;"MARTINI bead: N0_P1";;;;;;;0.34;;-1.53;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM424790;MM424790;CNC(CN)C1NC1CF;GCZVVNXJEJWSFE-UHFFFAOYSA-N;147.2;-1.16;;;;;DOPC;MDCG;27;1;"MARTINI bead: P3_SP1";;;;;;;-1.93;;-6.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM424791;MM424791;CCC(C#N)C=NOC=O;WVTAAKMAFYIHLB-UHFFFAOYSA-N;140.14;0.69;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_P2";;;;;;;0.54;;-1.09;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM424792;MM424792;CCCC1=CNC(=O)OC1;XRXAFFAGBJFHBL-UHFFFAOYSA-N;141.17;1.41;;;;;DOPC;MDCG;27;0;"MARTINI bead: SN0_SP2";;;;;;;0.06;;-2.21;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM424793;MM424793;C#CC1=COC(=NN)C1=C;WFALIYIEQIDWBV-UHFFFAOYSA-N;134.14;0.36;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNda_SN0";;;;;;;1.17;;-1.13;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM424794;MM424794;CCC1NC1C(CN)OC;LAGFGNDVGZIABU-UHFFFAOYSA-N;144.22;-0.29;;;;;DOPC;MDCG;27;1;"MARTINI bead: SNd_P2";;;;;;;-0.24;;-4.89;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM424795;MM424795;CCC1OC1CC1(C)CC1;JRHDTXZOUDXXSC-UHFFFAOYSA-N;140.23;2.35;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNa_SC5";;;;;;;1.64;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM424796;MM424796;C=CC(OC)=C(C)C#CC;FQOIXXZLATYBND-UHFFFAOYSA-N;136.19;2.12;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1_N0";;;;;;;3.21;;0.46;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM424797;MM424797;C=CC(C=NOC=O)CN;OWLRAYAVPLNNCD-UHFFFAOYSA-N;142.16;-0.09;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_P2";;;;;;;-0.24;;-5.54;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM424798;MM424798;CC=CC1=CC(=NC)NC1;AWXXJDDICGSMRA-UHFFFAOYSA-N;136.2;1.12;;;;;DOPC;MDCG;27;1;"MARTINI bead: SN0_SNd";;;;;;;1.17;;-4.04;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM424799;MM424799;C=CCC1=CCC(=C)CC1;XSNWBTRGYYSXBX-UHFFFAOYSA-N;134.22;3.23;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC1_SC4";;;;;;;4.24;;0.42;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM424800;MM424800;C=CC1CC1CC1(C)CC1;VANBSKDAGUJEOS-UHFFFAOYSA-N;136.24;3;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC4_SC4";;;;;;;3.53;;0.53;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM424801;MM424801;COC(CF)C1NC1CF;OIJNVCHQKKHPIM-UHFFFAOYSA-N;151.16;0.28;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_SP1";;;;;;;0.04;;-2.54;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM424802;MM424802;CC#CC(C)=C(C=O)OC;TVMHJZUNOPEFCS-UHFFFAOYSA-N;138.17;1.13;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_N0";;;;;;;1.17;;-1.18;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM424803;MM424803;C=C(C)CCC1(O)CC1C;HQACFTKIMLERFL-UHFFFAOYSA-N;140.23;2.11;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNda_C1";;;;;;;2.91;;0.57;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM424804;MM424804;C=C1CC=C(CC#N)CC1;HAVCHPURAMPXOE-UHFFFAOYSA-N;133.19;2.57;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC4_SC5";;;;;;;2.97;;0.45;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM424805;MM424805;CCN1CC1C(=NN)OC;AOKARQMLYVGQSF-UHFFFAOYSA-N;143.19;-0.39;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNd_P1";;;;;;;0.04;;-2.63;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM424806;MM424806;C=NNC=C(F)C#N;PYHMSFFRBSHAJU-UHFFFAOYSA-N;113.1;0.53;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_P1";;;;;;;0.81;;-0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM424807;MM424807;CC#CC(=O)ON=C(C)N;MUJGKNIUQUUNFI-UHFFFAOYSA-N;140.14;-0.16;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_P2";;;;;;;0.54;;-1.09;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM424808;MM424808;CC#CC(C)=C(C#N)OC;RUUVALYOHDFANX-UHFFFAOYSA-N;135.17;1.45;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_N0";;;;;;;1.17;;-1.18;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM424809;MM424809;C=CC(C=NOC=O)CF;NPVOXVQHRYTJFO-UHFFFAOYSA-N;145.13;0.92;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4_P2";;;;;;;1.09;;-0.38;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM424810;MM424810;CN=C1C=C(C=NN)CN1;DJXYNSYUOSEQSQ-UHFFFAOYSA-N;138.17;-0.51;;;;;DOPC;MDCG;27;1;"MARTINI bead: SNd_SP2";;;;;;;-0.24;;-5.8;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM424811;MM424811;C=CCC1=CCC(=O)CC1;VHCODJXPHRUNAF-UHFFFAOYSA-N;136.19;2.24;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC1_SNa";;;;;;;2.91;;0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM424812;MM424812;N#CC1NC1CC1(F)CC1;WZAQMGYRVRAMGQ-UHFFFAOYSA-N;140.16;0.74;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNa_SP2";;;;;;;-0.24;;-3.24;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM424813;MM424813;CCC(CC)C1OC1CC;SDGQTHAITOLUSL-UHFFFAOYSA-N;142.24;2.6;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1_SNa";;;;;;;2.91;;0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM424814;MM424814;CC#CC(F)=C(C#N)OC;YFJPQNXXDKOCHF-UHFFFAOYSA-N;139.13;1.36;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_N0";;;;;;;1.17;;-1.18;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM424815;MM424815;CNC(C#N)C=NOC=O;YCAWUHATQSJBOI-UHFFFAOYSA-N;141.13;-0.74;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_P2";;;;;;;-1.06;;-3.82;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM424816;MM424816;CCCC1CC1OC=NN;NUUQLVYMJMQJET-UHFFFAOYSA-N;142.2;1.09;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC2_P1";;;;;;;2;;0.29;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM424817;MM424817;C=C1CC=C(NC=N)CC1;CZFAJCFMYYVYMD-UHFFFAOYSA-N;136.2;1.81;;;;;DOPC;MDCG;27;1;"MARTINI bead: SC4_SNd";;;;;;;2.2;;-3.18;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM424818;MM424818;CC=CC1CC1C(C)(C)O;YVBJMXYQYOVTER-UHFFFAOYSA-N;140.23;1.97;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC3_Nda";;;;;;;2.57;;0.44;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM424819;MM424819;CCC(CO)C1OC1CC;REXQVKQSRHSIHE-UHFFFAOYSA-N;144.21;1.18;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda_SNa";;;;;;;0.87;;-1.99;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM424820;MM424820;C#CC(CC)=C(C)C#CC;ZKKLXQLWPMONQD-UHFFFAOYSA-N;132.21;2.37;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1_N0";;;;;;;3.21;;0.46;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM424821;MM424821;C=CC(C=NOC=O)OC;MFFNTWZHWAHNSZ-UHFFFAOYSA-N;143.14;0.35;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_P2";;;;;;;0.54;;-1.09;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM424822;MM424822;CC=CC1=CC(=CC)OC1;BLHPIYKUAMDGAZ-UHFFFAOYSA-N;136.19;2.42;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC5_SC5";;;;;;;2.41;;0.64;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM424823;MM424823;C=CCC1=CNC(=N)CC1;LYEISRJDPULDDV-UHFFFAOYSA-N;136.2;1.81;;;;;DOPC;MDCG;27;1;"MARTINI bead: SC5_SNd";;;;;;;1.64;;-4.38;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM424824;MM424824;C=CC1OC1CC1(N)CC1;MXOXZJINMWDAFI-UHFFFAOYSA-N;139.2;0.82;;;;;DOPC;MDCG;27;1;"MARTINI bead: SP1_SNa";;;;;;;0.04;;-5.34;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM424825;MM424825;CCC(CF)C1OC1CC;QRFVXHPLWRFSPT-UHFFFAOYSA-N;146.21;2.16;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4_SNa";;;;;;;2.2;;0.34;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM424826;MM424826;C#CC(CO)=C(C)C#CC;GACQOANOIAHLGW-UHFFFAOYSA-N;134.18;0.95;;;;;DOPC;MDCG;27;0;"MARTINI bead: N0_Nda";;;;;;;1.17;;-1.13;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM424827;MM424827;C=C(C)CC1CC1(O)CC;KIRZDLONBIRJQB-UHFFFAOYSA-N;140.23;2.11;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNda_C4";;;;;;;2.2;;0.49;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM424828;MM424828;CC=CC1=CC(=CF)OC1;FWYXEZQWOHPXDT-UHFFFAOYSA-N;140.16;2.33;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC5_SNa";;;;;;;1.64;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM424829;MM424829;N#CCC1=CNC(=N)CC1;VRBHGZLKMIBOQC-UHFFFAOYSA-N;135.17;1.14;;;;;DOPC;MDCG;27;1;"MARTINI bead: SNd_SN0";;;;;;;1.17;;-5.43;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM424830;MM424830;CCC1OC1C(CN)CN;XILDUKRJZZNUBL-UHFFFAOYSA-N;144.22;-0.3;;;;;DOPC;MDCG;27;1;"MARTINI bead: SNa_P3";;;;;;;-1.1;;-6.82;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM424831;MM424831;CC1(CC2CN2C=N)CC1;KGEPRXOWXQJTIW-UHFFFAOYSA-N;138.21;1.47;;;;;DOPC;MDCG;27;1;"MARTINI bead: SC5_SP1";;;;;;;0.81;;-3.75;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM424832;MM424832;C#CC(CF)=C(C)C#CC;WZFGXNBZYPCBDE-UHFFFAOYSA-N;136.17;1.93;;;;;DOPC;MDCG;27;0;"MARTINI bead: N0_C4";;;;;;;2.5;;0.44;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM424833;MM424833;COC(C#N)C=NOC=O;CCRWYHGOBQCZAK-UHFFFAOYSA-N;142.11;-0.32;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_P2";;;;;;;-0.24;;-3.24;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM424834;MM424834;CC=C1C=C(C=NN)CO1;ZNMPQOOTRBRUJJ-UHFFFAOYSA-N;138.17;0.79;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC5_SP1";;;;;;;0.81;;-0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM424835;MM424835;CCC1OC1C(CN)CO;INVILESTRKVLGU-UHFFFAOYSA-N;145.2;-0.27;;;;;DOPC;MDCG;27;1;"MARTINI bead: SNa_P2";;;;;;;-0.24;;-5.59;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM424836;MM424836;C=CCC1=CNC(=O)CC1;OPUAWDUGVPQSCL-UHFFFAOYSA-N;137.18;1.36;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC5_SP1";;;;;;;0.81;;-0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM424837;MM424837;N=CN1CC1CC1(N)CC1;GBWNUZIDLDJYNI-UHFFFAOYSA-N;139.2;0.16;;;;;DOPC;MDCG;27;1;"MARTINI bead: SP1_SP1";;;;;;;-0.79;;-6.4;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM424838;MM424838;C=CNC=NC(C=C)CC;WVLBGIIBXCGKOU-UHFFFAOYSA-N;138.21;1.71;;;;;DOPC;MDCG;27;1;"MARTINI bead: C1_P2";;;;;;;1.8;;-1.32;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM424839;MM424839;C#CC(CC)=C(F)C#CC;FLRJQYWYJHNVHK-UHFFFAOYSA-N;136.17;2.28;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4_N0";;;;;;;2.5;;0.44;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM424840;MM424840;C=CCC1CC1OC=NN;JRLXPKFREZZMPX-UHFFFAOYSA-N;140.19;0.87;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_SC4";;;;;;;1.37;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM424841;MM424841;CCC(CC)C1OC1CN;RZCJCBAFYBZCKG-UHFFFAOYSA-N;143.23;1.15;;;;;DOPC;MDCG;27;1;"MARTINI bead: C1_SP2";;;;;;;1.8;;-0.89;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM424842;MM424842;N#CCC1=CNC(=O)CC1;SXPDIQAYWCSMKF-UHFFFAOYSA-N;136.15;0.69;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP1_SN0";;;;;;;0.34;;-1.53;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM424843;MM424843;C#CC(CN)=C(F)C#CC;WZYHPTBETHYPIG-UHFFFAOYSA-N;137.16;0.83;;;;;DOPC;MDCG;27;1;"MARTINI bead: N0_Nda";;;;;;;1.17;;-2.73;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM424844;MM424844;N=CN1CC1CC1(F)CC1;GVSSQYZXLMOLGQ-UHFFFAOYSA-N;142.18;1.17;;;;;DOPC;MDCG;27;1;"MARTINI bead: SC5_SP2";;;;;;;0.54;;-4.28;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM424845;MM424845;C=CNC=NC(C=C)CN;YFWQHDJJJGQMHR-UHFFFAOYSA-N;139.2;0.26;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_P2";;;;;;;-0.24;;-5.31;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM424846;MM424846;CC=CC1=CC(=NO)OC1;BCPZHRCFNOFSEP-UHFFFAOYSA-N;139.15;1.31;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC5_SP1";;;;;;;0.81;;-0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM424847;MM424847;CCC(CN)C1OC1CN;NHNNMUCVWZMPJQ-UHFFFAOYSA-N;144.22;-0.3;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_SP2";;;;;;;-0.24;;-5.94;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM424848;MM424848;C=CCC1=COC(=C)CC1;BMUSLKAAOCTABJ-UHFFFAOYSA-N;136.19;2.77;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC4_SC5";;;;;;;2.97;;0.45;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM424849;MM424849;C#CC(OC)=C(C)C#CC;CTPNBKKAFPXPBA-UHFFFAOYSA-N;134.18;1.56;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4_N0";;;;;;;2.5;;0.44;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM424850;MM424850;C=NN1CC1CC1(C)CC1;QJPNUYINUQIJMH-UHFFFAOYSA-N;138.21;1.48;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC5_SP1";;;;;;;0.81;;-0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM424851;MM424851;C=CNC=NC(C=C)CF;DDKKNKIVFBVAIE-UHFFFAOYSA-N;142.18;1.27;;;;;DOPC;MDCG;27;1;"MARTINI bead: C5_P2";;;;;;;0.54;;-2.84;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM424852;MM424852;NCC(CN)C1OC1CN;IEOPLYSKESORGE-UHFFFAOYSA-N;145.21;-1.75;;;;;DOPC;MDCG;27;1;"MARTINI bead: P3_SP2";;;;;;;-2.2;;-7.89;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM424853;MM424853;CC#CC1CC1OC=NN;FXQMYZGFXPXXPU-UHFFFAOYSA-N;138.17;0.32;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC4_P1";;;;;;;1.37;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM424854;MM424854;C=C1CCC(CC#N)=CO1;WTDTUDKRFSHKCI-UHFFFAOYSA-N;135.17;2.11;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC5_SN0";;;;;;;1.94;;0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM424855;MM424855;C#CC(OC)=C(F)C#CC;QYEONFIBBAOBSJ-UHFFFAOYSA-N;138.14;1.47;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_N0";;;;;;;1.94;;0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM424856;MM424856;C=CCC=CN(C=N)CC;KPDXUQRFIXGFIU-UHFFFAOYSA-N;138.21;2.01;;;;;DOPC;MDCG;27;1;"MARTINI bead: P2_C2";;;;;;;1.72;;-3.02;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM424857;MM424857;CCC(CC)C1OC1CO;WAZZYUOFCLUJJN-UHFFFAOYSA-N;144.21;1.18;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1_SP2";;;;;;;1.8;;0.4;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM424858;MM424858;CC1=C(C)C(C)(O)CC1C;RJXOIDNQYUOOEV-UHFFFAOYSA-N;140.23;2.11;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNda_SC1";;;;;;;2.91;;0.57;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM424859;MM424859;NN=CC1=CC(=NO)OC1;INUUTUVVCJXEIJ-UHFFFAOYSA-N;141.13;-0.32;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP1_SP1";;;;;;;-0.79;;-3.13;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM424860;MM424860;C=CCC1=COC(=O)CC1;QPOBHPRYSPJDKG-UHFFFAOYSA-N;138.17;1.78;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC4_SNa";;;;;;;2.2;;0.34;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM424861;MM424861;C=CC(C#N)=C(C)C#CC;MMRGWHCVJNMLFV-UHFFFAOYSA-N;131.18;2.04;;;;;DOPC;MDCG;27;0;"MARTINI bead: N0_C4";;;;;;;2.5;;0.44;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM424862;MM424862;C=NN1CC1CC1(F)CC1;IABHGDXYUSKZQC-UHFFFAOYSA-N;142.18;1.18;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC5_SP2";;;;;;;0.54;;-1.09;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM424863;MM424863;N#CCC1=COC(=O)CC1;XTZMNECISCGGGS-UHFFFAOYSA-N;137.14;1.12;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNa_SN0";;;;;;;1.17;;-1.18;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM424864;MM424864;CCC(CO)C1OC1CO;NFSJQAJLWNDWBR-UHFFFAOYSA-N;146.19;-0.24;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda_SP2";;;;;;;-0.24;;-3.31;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM424865;MM424865;NN=COCCOCCF;OFMUDHIINNWTAQ-UHFFFAOYSA-N;150.15;-0.11;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda_P2";;;;;;;-0.24;;-3.31;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM424866;MM424866;CCN(C=O)C=CCC#N;AEBNPEROKHJTQU-UHFFFAOYSA-N;138.17;0.89;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_N0";;;;;;;0.34;;-1.53;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM424867;MM424867;CC#CC(C)=C(C#N)C#N;DKOLNMCHFMVCLZ-UHFFFAOYSA-N;130.15;1.37;;;;;DOPC;MDCG;27;0;"MARTINI bead: N0_N0";;;;;;;1.47;;-0.05;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM424868;MM424868;CC1(CC2CN2C=N)CO1;ZTTUGKKXSFYZEO-UHFFFAOYSA-N;140.19;0.46;;;;;DOPC;MDCG;27;1;"MARTINI bead: SNa_SP1";;;;;;;0.04;;-5.74;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM424869;MM424869;NCC(CN)C1OC1CO;YTCGKZCKHVOYNO-UHFFFAOYSA-N;146.19;-1.72;;;;;DOPC;MDCG;27;1;"MARTINI bead: P3_SP2";;;;;;;-2.2;;-7.82;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM424870;MM424870;C=CCC1=CCC(=N)NC1;KLPMVTSXYDKGTK-UHFFFAOYSA-N;136.2;1.46;;;;;DOPC;MDCG;27;1;"MARTINI bead: SN0_SNd";;;;;;;1.17;;-5.32;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM424871;MM424871;C=CC(C=O)=C(N)C#CC;NPBGGUGUODHPOH-UHFFFAOYSA-N;135.17;0.61;;;;;DOPC;MDCG;27;0;"MARTINI bead: N0_Nda";;;;;;;1.17;;-1.13;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM424872;MM424872;CCN(C=N)C=CNC=N;CWEZKCKXJGTJKD-UHFFFAOYSA-N;140.19;0.58;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_P3";;;;;;;-1.1;;-7.64;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM424873;MM424873;C=CCCOCOC=NN;ICFQDODQQCSTMM-UHFFFAOYSA-N;144.17;0.46;;;;;DOPC;MDCG;27;0;"MARTINI bead: P3_C3";;;;;;;0.6;;-0.8;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM424874;MM424874;NCC(CO)C1OC1CO;BUIGOZLKYABJQF-UHFFFAOYSA-N;147.17;-1.69;;;;;DOPC;MDCG;27;1;"MARTINI bead: P2_SP2";;;;;;;-1.34;;-6.67;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM424875;MM424875;C=NN1CC1CC1(C)CO1;PZKUJNIAINKHCZ-UHFFFAOYSA-N;140.19;0.47;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNa_SP1";;;;;;;0.04;;-2.54;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM424876;MM424876;C=CCC1=CCC(=O)NC1;NZMZTTZCKUZZFM-UHFFFAOYSA-N;137.18;1.01;;;;;DOPC;MDCG;27;0;"MARTINI bead: SN0_SP1";;;;;;;0.34;;-1.53;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM424877;MM424877;CCN(C=N)C=CNC=O;QZSFQNOGFWPMDT-UHFFFAOYSA-N;141.17;0.13;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_P3";;;;;;;-1.1;;-7.26;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM424878;MM424878;C=CC(C#N)=C(N)C#CC;UYSCDPBIBIQZEG-UHFFFAOYSA-N;132.17;0.93;;;;;DOPC;MDCG;27;0;"MARTINI bead: N0_Nd";;;;;;;1.17;;-1.04;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM424879;MM424879;NN=COCOCOC=O;JAMMMOVEJILRDG-UHFFFAOYSA-N;148.12;-0.99;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_P2";;;;;;;-1.06;;-3.82;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM424880;MM424880;OCC(CO)C1OC1CO;QBGNCCREBRNXAV-UHFFFAOYSA-N;148.16;-1.65;;;;;DOPC;MDCG;27;0;"MARTINI bead: P3_SP2";;;;;;;-2.2;;-5.19;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM424881;MM424881;C=CC1CN1CC1(C)CC1;VUFHROOUUPCANT-UHFFFAOYSA-N;137.23;1.66;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC5_SNd";;;;;;;1.64;;0.03;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM424882;MM424882;C=COC=CN(C=N)CC;QVYQPJIXYCFYSR-UHFFFAOYSA-N;140.19;1.55;;;;;DOPC;MDCG;27;1;"MARTINI bead: P2_C5";;;;;;;0.54;;-3.64;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM424883;MM424883;C=CC(C=C)=C(F)C#CC;XSFWVIDNHXMNTQ-UHFFFAOYSA-N;136.17;2.61;;;;;DOPC;MDCG;27;0;"MARTINI bead: N0_C1";;;;;;;3.21;;0.46;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM424884;MM424884;C=CCC1=CCC(=C)OC1;VNLIPWJXNMHVSE-UHFFFAOYSA-N;136.19;2.42;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC5_SNa";;;;;;;1.64;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM424885;MM424885;CC=COCCOC=NN;IVFLVHOGUZYJIJ-UHFFFAOYSA-N;144.17;0.46;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_P1";;;;;;;0.81;;-0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM424886;MM424886;NCC(CF)C1OC1CF;SGQZXVASZXNBQG-UHFFFAOYSA-N;151.16;0.27;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1_SNa";;;;;;;0.04;;-5.18;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM424887;MM424887;CCC1(O)C=C(C)C(C)C1;BVAGJRTWQBIZMF-UHFFFAOYSA-N;140.23;2.11;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC5_SC2";;;;;;;3.6;;0.34;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM424888;MM424888;C=CCC=CN(C=N)NC;SVQKFRNEJMQFNO-UHFFFAOYSA-N;139.2;1.12;;;;;DOPC;MDCG;27;1;"MARTINI bead: P3_C4";;;;;;;0.23;;-3.61;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM424889;MM424889;CC=Cc1cc(=NO)o[nH]1;OZLNGBPZKSGCRS-UHFFFAOYSA-N;140.14;0.93;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC5_SP2";;;;;;;0.54;;-1.09;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM424890;MM424890;C=CCC1=CCC(=O)OC1;JKDKONTUVLNMOF-UHFFFAOYSA-N;138.17;1.44;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC5_SNa";;;;;;;1.64;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM424891;MM424891;C=CC(C#N)=C(F)C#CC;PQNPCMUAYPNHTE-UHFFFAOYSA-N;135.14;1.94;;;;;DOPC;MDCG;27;0;"MARTINI bead: N0_C4";;;;;;;2.5;;0.44;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM424892;MM424892;OCC(CO)C1OC1CF;YVPUSKWSDRVAOK-UHFFFAOYSA-N;150.15;-0.68;;;;;DOPC;MDCG;27;0;"MARTINI bead: P3_SNa";;;;;;;-1.1;;-4.2;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM424893;MM424893;C=CC1CN1CC1(F)CC1;LLURONPGHNEXNW-UHFFFAOYSA-N;141.19;1.36;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNa_SNd";;;;;;;0.87;;-1.88;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM424894;MM424894;C=COC=CN(C=N)NC;BMSKTBROWKAVRP-UHFFFAOYSA-N;141.17;0.66;;;;;DOPC;MDCG;27;1;"MARTINI bead: P4_C5";;;;;;;-0.41;;-4.17;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM424895;MM424895;CC#CC(F)=C(C=O)C=O;JLJVCKINSYACFA-UHFFFAOYSA-N;140.11;0.63;;;;;DOPC;MDCG;27;0;"MARTINI bead: N0_Na";;;;;;;1.17;;-1.18;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM424896;MM424896;CC=CC1=CC(=CC)CO1;QAMSJSLOASCFBI-UHFFFAOYSA-N;136.19;2.42;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC5_SC5";;;;;;;2.41;;0.64;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM424897;MM424897;C=CCC1=CNC(=O)OC1;WJVWWXYJCFSOOE-UHFFFAOYSA-N;139.15;1.19;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP1_SP2";;;;;;;-1.06;;-3.82;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM424898;MM424898;CNC(CO)C1OC1CO;SRRBHNILUYNWSW-UHFFFAOYSA-N;147.17;-1.67;;;;;DOPC;MDCG;27;1;"MARTINI bead: P2_SP2";;;;;;;-1.34;;-5.72;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM424899;MM424899;C#CC1CC1CC1(C)CC1;FQFWPJLMGRSBBG-UHFFFAOYSA-N;134.22;2.45;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC5_SC5";;;;;;;2.41;;0.64;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM424900;MM424900;CNN(C=N)C=COC=O;BHGSPDZEHVXVQA-UHFFFAOYSA-N;143.15;-0.33;;;;;DOPC;MDCG;27;1;"MARTINI bead: P4_P1";;;;;;;-2.01;;-6.45;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM424901;MM424901;C=CN=C1CCC(=C)CN1;JVSSOVABTANZPW-UHFFFAOYSA-N;136.2;1.47;;;;;DOPC;MDCG;27;1;"MARTINI bead: SC5_SN0";;;;;;;1.94;;-2.41;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM424902;MM424902;CCC(OC)C1OC1CC;PRTJLMSVDMIDCZ-UHFFFAOYSA-N;144.21;1.59;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_SNa";;;;;;;0.87;;-2.22;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM424903;MM424903;CC=CC1=CC(=CF)CO1;OEPRIIJLZANBDE-UHFFFAOYSA-N;140.16;2.33;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC5_SNa";;;;;;;1.64;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM424904;MM424904;CC#CC(F)=C(C#N)C=O;FWFQTWIHKCXIQN-UHFFFAOYSA-N;137.11;0.96;;;;;DOPC;MDCG;27;0;"MARTINI bead: N0_Na";;;;;;;1.17;;-1.18;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM424905;MM424905;C#CC1CC1CC1(N)CC1;HIHLYXKUGIKINI-UHFFFAOYSA-N;135.21;1.14;;;;;DOPC;MDCG;27;1;"MARTINI bead: SP1_SC5";;;;;;;0.81;;-3.36;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM424906;MM424906;CON(C=O)C=CCC=O;QSCSQZZFCHUMJY-UHFFFAOYSA-N;143.14;0.11;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_Na";;;;;;;-0.24;;-3.24;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM424907;MM424907;C=CCC1=NNC(=O)CC1;OZWCULMQEAPUFJ-UHFFFAOYSA-N;138.17;0.83;;;;;DOPC;MDCG;27;0;"MARTINI bead: SN0_SNda";;;;;;;1.17;;-1.13;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM424908;MM424908;COC(CN)C1OC1CO;MPIDUIFSMSKBHH-UHFFFAOYSA-N;147.17;-1.28;;;;;DOPC;MDCG;27;1;"MARTINI bead: P2_SP2";;;;;;;-1.34;;-6.3;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM424909;MM424909;NN=COCCOC=CF;YSBXHEKZZBZUFW-UHFFFAOYSA-N;148.14;0.36;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_N0";;;;;;;0.34;;-1.53;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM424910;MM424910;CC#CC(F)=C(C#N)C#N;NVRAANBOJGUGGM-UHFFFAOYSA-N;134.11;1.28;;;;;DOPC;MDCG;27;0;"MARTINI bead: N0_Na";;;;;;;1.17;;-1.18;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM424911;MM424911;CCC(=NN)C(=O)N(C)C;HCJJQIYSBZBVJO-UHFFFAOYSA-N;143.19;-0.2;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nd_P2";;;;;;;-0.24;;-3.16;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM424912;MM424912;CON(C=O)C=CCC#N;WWCSTGVTLPSTES-UHFFFAOYSA-N;140.14;0.43;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_N0";;;;;;;0.06;;-2.21;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM424913;MM424913;N#CCC1=NNC(=O)CC1;AZNUHJDQTRYOSZ-UHFFFAOYSA-N;137.14;0.17;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNda_SN0";;;;;;;1.17;;-1.13;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM424914;MM424914;COC(CN)C1OC1CF;PDLUATDCPFTCTK-UHFFFAOYSA-N;149.17;-0.3;;;;;DOPC;MDCG;27;1;"MARTINI bead: P2_SNa";;;;;;;-0.24;;-5.23;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM424915;MM424915;C#CC(C=C)=C(C)C#CC;OKZKFPTXCLLDDD-UHFFFAOYSA-N;130.19;2.15;;;;;DOPC;MDCG;27;0;"MARTINI bead: N0_C3";;;;;;;2.87;;0.37;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM424916;MM424916;CC=CC1=CC(=NO)CO1;FYDKNMFQQVCBOR-UHFFFAOYSA-N;139.15;1.31;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC5_SNda";;;;;;;1.64;;0.05;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM424917;MM424917;C#CC1CC1CC1(F)CC1;IGGFQFSRZORLQC-UHFFFAOYSA-N;138.19;2.15;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC5_SC5";;;;;;;2.41;;0.64;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM424918;MM424918;C=CCC1=NOC(=O)CC1;WRGPPPQEBKOFKT-UHFFFAOYSA-N;139.15;1.26;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC5_SNa";;;;;;;1.64;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM424919;MM424919;C=CCN=CN(C=C)CC;MUPISVQBNMMAHR-UHFFFAOYSA-N;138.21;1.67;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_C5";;;;;;;1.64;;-2.39;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM424920;MM424920;COC(OC)C1OC1CO;RMAHEMNCRIKUEP-UHFFFAOYSA-N;148.16;-0.64;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_SP2";;;;;;;-1.06;;-3.82;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM424921;MM424921;C#CC(C=O)=C(C)C#CC;DOVWZNRZRMNITO-UHFFFAOYSA-N;132.16;1.16;;;;;DOPC;MDCG;27;0;"MARTINI bead: N0_Na";;;;;;;1.17;;-1.18;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM424922;MM424922;NN=COCOCC=CF;DIBCJRAURWGFAT-UHFFFAOYSA-N;148.14;0.36;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_Na";;;;;;;0.04;;-2.54;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM424923;MM424923;C#CC1CC1CC1(C)CO1;CCGVEZGOAXREED-UHFFFAOYSA-N;136.19;1.43;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNa_SC5";;;;;;;1.64;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM424924;MM424924;C=CNC1=NCC(=C)CN1;YFASBVBOSJAIAJ-UHFFFAOYSA-N;137.19;0.23;;;;;DOPC;MDCG;27;1;"MARTINI bead: SP1_SP1";;;;;;;-0.79;;-7.37;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM424925;MM424925;COC(OC)C1OC1CF;BLQCOJLXFPPSEG-UHFFFAOYSA-N;150.15;0.34;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_SNa";;;;;;;0.04;;-2.54;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM424926;MM424926;C=CCN=CN(C=O)CC;NIXNZDCTMDBPEY-UHFFFAOYSA-N;140.19;0.68;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_C5";;;;;;;0.81;;-0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM424927;MM424927;C#CC(C#N)=C(C)C#CC;WPPQOTKHAZELOB-UHFFFAOYSA-N;129.16;1.48;;;;;DOPC;MDCG;27;0;"MARTINI bead: N0_C5";;;;;;;1.94;;0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM424928;MM424928;C=CCONC(=N)C(C)=O;IFNPEPIPTMPHMV-UHFFFAOYSA-N;142.16;0.26;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_Nda";;;;;;;-0.24;;-3.31;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM424929;MM424929;NN=CCOCOC=NN;XUEWGXGOQVJMDL-UHFFFAOYSA-N;146.15;-1.18;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nd_P3";;;;;;;-1.1;;-3.93;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM424930;MM424930;C#CCC1=CCC(=C)CC1;JWEWKWCUVQZVSU-UHFFFAOYSA-N;132.21;2.68;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC4_SC3";;;;;;;3.9;;0.47;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM424931;MM424931;C=CN(C=NOC=O)CC;RKRLRLQUZRTDCQ-UHFFFAOYSA-N;142.16;0.57;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_P2";;;;;;;0.54;;-1.09;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM424932;MM424932;CCC(CN)C1CN1CC;CQNHTJLAEGRPEO-UHFFFAOYSA-N;142.25;0.68;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_SNd";;;;;;;0.87;;-4.58;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM424933;MM424933;C#CC1NC1CC1(F)CC1;MOGLZDQIELGQFG-UHFFFAOYSA-N;139.17;0.85;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNa_SP2";;;;;;;-0.24;;-3.24;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM424934;MM424934;C#CC(C=C)=C(F)C#CC;LGTOJKCXBNHGAN-UHFFFAOYSA-N;134.15;2.05;;;;;DOPC;MDCG;27;0;"MARTINI bead: N0_C4";;;;;;;2.5;;0.44;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM424935;MM424935;CC=Cc1cc(NO)no1;CRDXPCLAOXNHFF-UHFFFAOYSA-N;140.14;1.51;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC5_SNda";;;;;;;1.64;;0.05;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM424936;MM424936;C#CCC1=CNC(=N)CC1;LRGXQSKDLOEGKJ-UHFFFAOYSA-N;134.18;1.25;;;;;DOPC;MDCG;27;1;"MARTINI bead: SNd_SN0";;;;;;;1.17;;-5.45;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM424937;MM424937;CCN1CC1C(CN)CN;DNVNDWQWSBMRMB-UHFFFAOYSA-N;143.23;-0.78;;;;;DOPC;MDCG;27;1;"MARTINI bead: SNd_P3";;;;;;;-1.1;;-6.34;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM424938;MM424938;C=CCN=CN(C=O)NC;CPEAAJMUVDEPKO-UHFFFAOYSA-N;141.17;-0.21;;;;;DOPC;MDCG;27;0;"MARTINI bead: P4_C5";;;;;;;-0.41;;-2.78;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM424939;MM424939;CC1CC1CCC1(C)CC1;IKAPYCLZASGQTE-UHFFFAOYSA-N;138.25;3.22;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC5_SC4";;;;;;;2.97;;0.45;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM424940;MM424940;CC#CC1=CC(=CC)CC1;HAORGPFWHRIPBC-UHFFFAOYSA-N;132.21;2.68;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC3_SC3";;;;;;;4.27;;0.2;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM424941;MM424941;C#CC(C=O)=C(F)C#CC;HSCQEKBSASGJAG-UHFFFAOYSA-N;136.13;1.07;;;;;DOPC;MDCG;27;0;"MARTINI bead: N0_Na";;;;;;;1.17;;-1.18;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM424942;MM424942;C#CCC1=CNC(=O)CC1;YVGHMPCIOZWDOY-UHFFFAOYSA-N;135.17;0.8;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP1_SN0";;;;;;;0.34;;-1.53;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM424943;MM424943;CCN1CC1C(CN)CO;AQCQDAUNBYXPNC-UHFFFAOYSA-N;144.22;-0.74;;;;;DOPC;MDCG;27;1;"MARTINI bead: SNd_P2";;;;;;;-0.24;;-5.25;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM424944;MM424944;C=CCN=CN(C=O)OC;IXEZXZVZBLECJD-UHFFFAOYSA-N;142.16;0.22;;;;;DOPC;MDCG;27;0;"MARTINI bead: P3_C4";;;;;;;0.23;;-1.03;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM424946;MM424946;CC#CC1=CC(=CF)CC1;SHTUOIRMLOHONQ-UHFFFAOYSA-N;136.17;2.58;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC3_SC4";;;;;;;3.9;;0.47;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM424945;MM424945;CC1CC1CCC1(N)CC1;WUFABQHGCMUDIW-UHFFFAOYSA-N;139.24;1.91;;;;;DOPC;MDCG;27;1;"MARTINI bead: SC5_SNd";;;;;;;1.64;;-2.79;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM424947;MM424947;C#CC(C#N)=C(F)C#CC;AOANIJMJZKTGJM-UHFFFAOYSA-N;133.13;1.39;;;;;DOPC;MDCG;27;0;"MARTINI bead: N0_Na";;;;;;;1.17;;-1.18;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM424948;MM424948;C#CCC1=COC(=C)CC1;CJUYKBMMYPHXRL-UHFFFAOYSA-N;134.18;2.22;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC5_SC5";;;;;;;2.41;;0.64;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM424949;MM424949;CCC(NC)C1CN1CC;LHZJNJNHGXWUFL-UHFFFAOYSA-N;142.25;0.69;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_SNd";;;;;;;0.87;;-4.85;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM424950;MM424950;C#CC(C#C)=C(C)C#CC;ZWIGPOUUYSKPME-UHFFFAOYSA-N;128.17;1.59;;;;;DOPC;MDCG;27;0;"MARTINI bead: N0_C4";;;;;;;2.5;;0.44;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM424951;MM424951;CON(C=O)C=NCC#N;CBPBWBPMUMNMOB-UHFFFAOYSA-N;141.13;-0.44;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_P1";;;;;;;-1.06;;-3.82;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM424952;MM424952;C=CNC(C=NN)=NOC;BLWIPKKEJNVSFJ-UHFFFAOYSA-N;142.16;-0.38;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_N0";;;;;;;0.34;;-1.53;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM424953;MM424953;CC#CCCCOC=NN;NHXJHBAETIITQF-UHFFFAOYSA-N;140.19;0.71;;;;;DOPC;MDCG;27;0;"MARTINI bead: C3_P1";;;;;;;1.74;;0.29;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM424954;MM424954;C#CCC1=COC(=O)CC1;XKMILVVICQJJRF-UHFFFAOYSA-N;136.15;1.23;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNa_SC5";;;;;;;1.64;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM424955;MM424955;CCN1CC1C(CN)NC;HIUSGKFIKDFESJ-UHFFFAOYSA-N;143.23;-0.76;;;;;DOPC;MDCG;27;1;"MARTINI bead: SNd_P3";;;;;;;-1.1;;-6.18;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM424956;MM424956;CC1CC1CNC1(C)CC1;UJIKIYGIUBMTLH-UHFFFAOYSA-N;139.24;1.78;;;;;DOPC;MDCG;27;1;"MARTINI bead: SC5_SNd";;;;;;;1.64;;-2.89;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM424957;MM424957;CON(C=O)C=NOC=O;FJIGFBBKZTZJPF-UHFFFAOYSA-N;146.1;-0.88;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_P1";;;;;;;-1.06;;-3.82;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM424958;MM424958;C#CC(C#C)=C(F)C#CC;NKLNABQVJILABS-UHFFFAOYSA-N;132.14;1.5;;;;;DOPC;MDCG;27;0;"MARTINI bead: N0_C5";;;;;;;1.94;;0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM424959;MM424959;CC#CC1=CC(=NO)CC1;UBYVJTGRLQYECT-UHFFFAOYSA-N;135.17;1.56;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC3_SNda";;;;;;;2.57;;0.44;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM424960;MM424960;C#CCC1=NNC(=O)CC1;UXXRUNPXUUGVRB-UHFFFAOYSA-N;136.15;0.28;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNda_SN0";;;;;;;1.17;;-1.13;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM424961;MM424961;CCN1CC1C(CO)NC;STWMYTSIKQFPER-UHFFFAOYSA-N;144.22;-0.73;;;;;DOPC;MDCG;27;1;"MARTINI bead: SNd_P2";;;;;;;-0.24;;-5.16;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM424962;MM424962;CC1CC1CCC1(C)CO1;BTTJTAMOJIJPBS-UHFFFAOYSA-N;140.23;2.21;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC5_SNa";;;;;;;1.64;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM424963;MM424963;C=CCC=NN(C=O)CC;MGXOVKUXLLLJBY-UHFFFAOYSA-N;140.19;1.03;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_C3";;;;;;;1.46;;-0.15;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM424964;MM424964;CCCCCC1(CC)CC1;ZYUXMZBINBOUDC-UHFFFAOYSA-N;140.27;3.76;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1_SC3";;;;;;;4.61;;0.31;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM424965;MM424965;C#CCC1=NOC(=O)CC1;VJYBXXXREDCDPK-UHFFFAOYSA-N;137.14;0.7;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNa_SN0";;;;;;;1.17;;-1.18;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM424966;MM424966;CC#CC1=CC(=NC)NC1;QUHPSODQUYUVQO-UHFFFAOYSA-N;134.18;0.57;;;;;DOPC;MDCG;27;1;"MARTINI bead: SNd_SN0";;;;;;;1.17;;-3.38;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM424967;MM424967;CCN1CC1C(CF)NC;DPHHALFPHGTNEL-UHFFFAOYSA-N;146.21;0.25;;;;;DOPC;MDCG;27;1;"MARTINI bead: SNd_P1";;;;;;;0.04;;-3.69;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM424968;MM424968;CCC1CC1(C)C1(C)CC1;SBYNPXVHGYUSOB-UHFFFAOYSA-N;138.25;3.22;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC3_SC5";;;;;;;3.34;;0.48;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM424969;MM424969;CCC1(CCCCN)CC1;NSXRONNZLXKYSZ-UHFFFAOYSA-N;141.26;2.31;;;;;DOPC;MDCG;27;1;"MARTINI bead: SC3_Nd";;;;;;;2.57;;-1.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM424970;MM424970;C#CC1(C)CC(=O)N(C)N1;UBPNTQPARGZXRI-UHFFFAOYSA-N;138.17;-0.26;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP3_SP2";;;;;;;-2.2;;-5.19;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM424971;MM424971;C#CCC1=NCC(=C)CN1;FSOIJOXBHYMWDU-UHFFFAOYSA-N;134.18;0.57;;;;;DOPC;MDCG;27;1;"MARTINI bead: SP1_SNd";;;;;;;0.04;;-4.04;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM424972;MM424972;CC#CC1=CC(=NO)NC1;ZYHOMKDITIMISP-UHFFFAOYSA-N;136.15;0.33;;;;;DOPC;MDCG;27;0;"MARTINI bead: SN0_SP1";;;;;;;0.34;;-1.53;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM424973;MM424973;CCN1CC1C(CN)OC;UEGZTUGIEWPUPL-UHFFFAOYSA-N;144.22;-0.34;;;;;DOPC;MDCG;27;1;"MARTINI bead: SNd_P2";;;;;;;-0.24;;-4.88;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM424974;MM424974;CC1(C2(O)CC2)CC1CN;NGUYDYGNIBDTRA-UHFFFAOYSA-N;141.21;0.5;;;;;DOPC;MDCG;27;1;"MARTINI bead: SNd_SP1";;;;;;;0.04;;-5.12;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM424975;MM424975;C#CCC=CC(C=C)CC;LHCVGQRDUGUGRM-UHFFFAOYSA-N;134.22;2.78;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1_C5";;;;;;;3.68;;0.46;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM424976;MM424976;CC(C)c1coc(=NN)o1;NCIVPNDZKFKWDL-UHFFFAOYSA-N;142.16;0.77;;;;;DOPC;MDCG;27;0;"MARTINI bead: C3_SP2";;;;;;;1.46;;-0.15;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM424977;MM424977;CC=CC1=CCC(N)CC1;PHITYASZYUVLTQ-UHFFFAOYSA-N;137.23;2;;;;;DOPC;MDCG;27;1;"MARTINI bead: SC1_SNd";;;;;;;2.91;;-0.74;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM424978;MM424978;CC#CC1=CC(=CC)OC1;ZNNQVRXKBZPGNA-UHFFFAOYSA-N;134.18;1.87;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC5_SN0";;;;;;;1.94;;0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM424979;MM424979;CCC(CN)N1CC1CC;LIKXVLJVIMDZTB-UHFFFAOYSA-N;142.25;0.82;;;;;DOPC;MDCG;27;1;"MARTINI bead: P2_SP1";;;;;;;-1.06;;-5.8;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM424980;MM424980;C#CCC=CC(C=O)CC;HCELATPWNPLGFE-UHFFFAOYSA-N;136.19;1.79;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_C5";;;;;;;2.41;;0.64;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM424981;MM424981;C=CC12CC(C1)C(N)C2C;JBQGYCCFNVSCFT-UHFFFAOYSA-N;137.23;1.55;;;;;DOPC;MDCG;27;1;"MARTINI bead: SNd_SC1";;;;;;;2.91;;-0.84;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM424982;MM424982;CCCCCC1(CN)CC1;XNYWCXGVBCTHBB-UHFFFAOYSA-N;141.26;2.31;;;;;DOPC;MDCG;27;1;"MARTINI bead: C1_SNd";;;;;;;2.91;;-0.29;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM424983;MM424983;CC=CC1=CCN(C)CC1;OGJRIKHHWMYVGN-UHFFFAOYSA-N;137.23;1.82;;;;;DOPC;MDCG;27;1;"MARTINI bead: SC5_SNd";;;;;;;1.64;;-1.44;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM424984;MM424984;CC#CC1=CC(=CF)OC1;FVUPSVXZHZAUHF-UHFFFAOYSA-N;138.14;1.78;;;;;DOPC;MDCG;27;0;"MARTINI bead: SN0_SNa";;;;;;;1.17;;-1.18;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM424985;MM424985;C#CCC=CC(C#N)CC;MPAKEBDQMRYSGY-UHFFFAOYSA-N;133.19;2.12;;;;;DOPC;MDCG;27;0;"MARTINI bead: N0_C5";;;;;;;1.94;;0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM424986;MM424986;CCC1CN1C(CN)CN;MSRHGZZBKUBBMY-UHFFFAOYSA-N;143.23;-0.63;;;;;DOPC;MDCG;27;1;"MARTINI bead: SNd_P3";;;;;;;-1.1;;-5.87;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM424987;MM424987;NCCCCC1(CN)CC1;BCLFVKMEOXKRAX-UHFFFAOYSA-N;142.25;0.85;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_SNd";;;;;;;0.87;;-5.08;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM424988;MM424988;CNC12CC(C1)C(=O)C2C;QWBPROTYHSFDBP-UHFFFAOYSA-N;139.2;0.57;;;;;DOPC;MDCG;27;1;"MARTINI bead: SNd_SNa";;;;;;;0.87;;-4.34;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM424989;MM424989;C#CCC=CC(C=C)CN;QRUSWFUJVQIQMW-UHFFFAOYSA-N;135.21;1.33;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_C5";;;;;;;1.64;;-2.64;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM424990;MM424990;NN=COCCC=CCF;VGJRIRYPWXKOAF-UHFFFAOYSA-N;146.17;0.82;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda_Na";;;;;;;0.87;;-1.99;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM424991;MM424991;C=C1CC=C(C=CC)CC1;JENACLMLFKSUPL-UHFFFAOYSA-N;134.22;3.23;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC1_SC4";;;;;;;4.24;;0.42;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM424992;MM424992;CC1C(=O)C2CC1(C=O)C2;RUPRFUUJNMIOMW-UHFFFAOYSA-N;138.17;0.8;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNa_SNa";;;;;;;0.87;;-2.22;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM424993;MM424993;NCC1(CCCCF)CC1;JKPFPZFYKKQDDU-UHFFFAOYSA-N;145.22;1.87;;;;;DOPC;MDCG;27;1;"MARTINI bead: SNd_C4";;;;;;;2.2;;-1.92;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM424994;MM424994;CCC1CN1C(CN)CO;PESIGCGFTIAVJY-UHFFFAOYSA-N;144.22;-0.6;;;;;DOPC;MDCG;27;1;"MARTINI bead: SNd_P2";;;;;;;-0.24;;-4.77;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM424995;MM424995;COC=NNCCC(F)F;VLIMRQJVXOSHRC-UHFFFAOYSA-N;152.14;0.82;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_N0";;;;;;;0.34;;-1.53;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM424996;MM424996;CC#CC1=CC(=NO)OC1;YQDAKAOGZHZREX-UHFFFAOYSA-N;137.14;0.75;;;;;DOPC;MDCG;27;0;"MARTINI bead: SN0_SP1";;;;;;;0.34;;-1.53;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM424997;MM424997;CC=CC1=CNC(=N)CC1;CYHZURYLGNLYEU-UHFFFAOYSA-N;136.2;1.81;;;;;DOPC;MDCG;27;1;"MARTINI bead: SC5_SNd";;;;;;;1.64;;-4.22;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM424998;MM424998;C=C1C(=O)C2CC1(CC)C2;ATACFPZHURVNOI-UHFFFAOYSA-N;136.19;1.93;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC2_SNa";;;;;;;2.83;;0.35;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM424999;MM424999;CCC(CC)N1CC1CN;XUANPDAOGAKFGF-UHFFFAOYSA-N;142.25;0.82;;;;;DOPC;MDCG;27;1;"MARTINI bead: C5_SP2";;;;;;;0.54;;-3.02;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM425000;MM425000;CC(F)c1coc(=NN)o1;LZFJDQVVOVVNBX-UHFFFAOYSA-N;146.12;0.68;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_SP2";;;;;;;0.54;;-1.09;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM425001;MM425001;C#CCC=CC(C=O)CO;ZWXGZSAFGGJBLW-UHFFFAOYSA-N;138.17;0.37;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_C5";;;;;;;0.54;;-1.09;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM425002;MM425002;CCC=COCOC=NN;NUYKZDYGKIRYDN-UHFFFAOYSA-N;144.17;0.8;;;;;DOPC;MDCG;27;0;"MARTINI bead: C3_P3";;;;;;;0.6;;-0.8;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM425003;MM425003;CC=CC1=CNC(=O)CC1;BKTLHBVNLCXPNE-UHFFFAOYSA-N;137.18;1.36;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC5_SP1";;;;;;;0.81;;-0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM425004;MM425004;C=CC12CC(C1)C(=C)C2=C;PNTQQQCJJCSMCR-UHFFFAOYSA-N;132.21;2.69;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC4_SC4";;;;;;;3.53;;0.53;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM425005;MM425005;CCC(CN)N1CC1CO;XAOXOLJHMUFGDU-UHFFFAOYSA-N;144.22;-0.6;;;;;DOPC;MDCG;27;1;"MARTINI bead: P2_SP2";;;;;;;-1.34;;-6.29;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM425006;MM425006;NCCCCC1(CO)CC1;NHGKVCVIYOKBBN-UHFFFAOYSA-N;143.23;0.89;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_SNda";;;;;;;0.87;;-4.72;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM425007;MM425007;C#CCC=CC(C#N)CO;GBXATCSAYPFEHE-UHFFFAOYSA-N;135.17;0.7;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_C5";;;;;;;0.54;;-1.09;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM425008;MM425008;C=C1CCC(C=CC)=CO1;WJZLOUWWDVFPST-UHFFFAOYSA-N;136.19;2.77;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC4_SC5";;;;;;;2.97;;0.45;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM425009;MM425009;C=CC=CCCOC=NN;KTEMUEYRAAUCPN-UHFFFAOYSA-N;140.19;1.04;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_C1";;;;;;;2.08;;0.48;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM425010;MM425010;C=C1C(=C)C2(C#N)CC1C2;AHHDFIHNZVXRHI-UHFFFAOYSA-N;131.18;2.03;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC4_SN0";;;;;;;2.5;;0.44;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM425011;MM425011;NCC(CN)N1CC1CO;VPEOVASDNVJHPD-UHFFFAOYSA-N;145.21;-2.05;;;;;DOPC;MDCG;27;1;"MARTINI bead: P4_SP2";;;;;;;-2.29;;-7.84;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM425012;MM425012;NN=c1occ(C(F)F)o1;CXCNFWZABRIPER-UHFFFAOYSA-N;150.08;0.58;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP2_N0";;;;;;;0.06;;-2.21;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM425013;MM425013;C#CC=CCCOC=NN;ZBHPFQRSIIFLPG-UHFFFAOYSA-N;138.17;0.48;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_C4";;;;;;;1.37;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM425014;MM425014;C#CCC=CC(C=C)CF;MNIBUKCHUTXPPC-UHFFFAOYSA-N;138.19;2.34;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_C5";;;;;;;2.41;;0.64;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM425015;MM425015;C=CC12CC(C1)C(=O)C2=C;DVLLWPPFMVIHLG-UHFFFAOYSA-N;134.18;1.71;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC4_SNa";;;;;;;2.2;;0.34;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM425016;MM425016;CC=CC1=COC(=O)CC1;YEHDGVSYSOZFNR-UHFFFAOYSA-N;138.17;1.78;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC4_SNa";;;;;;;2.2;;0.34;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM425017;MM425017;CCC(CC)N1CC1CF;FWAHJYCOEQABQJ-UHFFFAOYSA-N;145.22;1.83;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_SP1";;;;;;;0.81;;-0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM425018;MM425018;CCCCCC1(CF)CC1;XOKDIBRYEGKFDV-UHFFFAOYSA-N;144.23;3.32;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1_SC5";;;;;;;3.68;;0.46;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM425019;MM425019;C#CCC=CC(C=O)CF;SPNMCZYBLSGQQW-UHFFFAOYSA-N;140.16;1.35;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_C5";;;;;;;0.81;;-0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM425020;MM425020;CC#Cc1cc(=NN)o[nH]1;VFKUJMDRAFELGH-UHFFFAOYSA-N;137.14;-0.25;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC5_SP2";;;;;;;0.54;;-1.09;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM425021;MM425021;CC=CC1=CCC(=N)NC1;VDAFMDYANHXXOF-UHFFFAOYSA-N;136.2;1.46;;;;;DOPC;MDCG;27;1;"MARTINI bead: SC5_SNd";;;;;;;1.64;;-4.1;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM425022;MM425022;C=C1C(=O)C2CC1(C#N)C2;RSAOEGSVSHNUDH-UHFFFAOYSA-N;133.15;1.05;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNa_SN0";;;;;;;1.17;;-1.18;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM425023;MM425023;C=CC(CC)C1CC1CC;ZSUXLYQPOVQCBC-UHFFFAOYSA-N;138.25;3.24;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC3_C1";;;;;;;4.61;;0.31;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM425024;MM425024;NCCCCC1(CF)CC1;OYYXONXZFKIXBA-UHFFFAOYSA-N;145.22;1.87;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_SC5";;;;;;;1.64;;-2.7;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM425025;MM425025;N=CC=C1CCC(=N)NN1;WXJBNRNEAOHCIW-UHFFFAOYSA-N;138.17;0.39;;;;;DOPC;MDCG;27;1;"MARTINI bead: SP1_SP2";;;;;;;-1.06;;-6.85;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM425026;MM425026;C#CCC=CC(C#N)CF;RHXIOHBAYRZEKS-UHFFFAOYSA-N;137.16;1.68;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_C5";;;;;;;1.64;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM425027;MM425027;C#CC12CC(C1)C(=C)C2=C;CSNFTDSLLZRVSF-UHFFFAOYSA-N;130.19;2.14;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC4_SC5";;;;;;;2.97;;0.45;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM425028;MM425028;CC#Cc1cc(=NO)o[nH]1;YPHUOKVUHMPCQC-UHFFFAOYSA-N;138.13;0.27;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC5_SP2";;;;;;;0.54;;-1.09;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM425029;MM425029;CCC(C=O)C1CC1CC;WEXFMRHQAMQWSM-UHFFFAOYSA-N;140.23;2.26;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC3_C5";;;;;;;3.34;;0.48;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM425030;MM425030;CN(C)c1coc(=NN)o1;IMRLUHPNQWDGST-UHFFFAOYSA-N;143.15;-0.29;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_SP2";;;;;;;-1.06;;-3.82;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM425031;MM425031;C#CCC=CC(C=C)NC;ZZQOVYQWISUBMO-UHFFFAOYSA-N;135.21;1.34;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_C5";;;;;;;1.64;;-1.62;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM425032;MM425032;CC=CC1=NNC(=O)CC1;HWEDNJNDRPLGBI-UHFFFAOYSA-N;138.17;0.83;;;;;DOPC;MDCG;27;0;"MARTINI bead: SN0_SNda";;;;;;;1.17;;-1.13;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM425033;MM425033;CC#CC1=CC(=CC)CO1;VPGYQFGPCKHQOB-UHFFFAOYSA-N;134.18;1.87;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC5_SC5";;;;;;;2.41;;0.64;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM425034;MM425034;C#CC12CC(C1)C(=O)C2=C;GMWXURDAYPIVGB-UHFFFAOYSA-N;132.16;1.15;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNa_SC5";;;;;;;1.64;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM425035;MM425035;CCC(C#N)C1CC1CC;AUODTJFKHPOKKQ-UHFFFAOYSA-N;137.23;2.58;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC3_N0";;;;;;;2.87;;0.37;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM425036;MM425036;CCC1(CCCNC)CC1;CMWHQHOLLQLKAO-UHFFFAOYSA-N;141.26;2.18;;;;;DOPC;MDCG;27;1;"MARTINI bead: SC3_Nd";;;;;;;2.57;;-1.83;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM425037;MM425037;C#CCC=CC(C=C)OC;ALKUDQJRCQEWDU-UHFFFAOYSA-N;136.19;1.77;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_C5";;;;;;;1.64;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM425038;MM425038;N=CC=C1CCC(=O)NN1;GHRVVFHATVWFOU-UHFFFAOYSA-N;139.16;-0.07;;;;;DOPC;MDCG;27;1;"MARTINI bead: SP1_SP2";;;;;;;-1.06;;-8.04;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM425039;MM425039;CC#CC1=CC(=CF)CO1;UKLNXSUIPDVJTP-UHFFFAOYSA-N;138.14;1.78;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC5_SNa";;;;;;;1.64;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM425040;MM425040;CON=C(CC=O)N(C)C;JCHLBSIYZHOHEO-UHFFFAOYSA-N;144.17;0.1;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_Nda";;;;;;;-0.24;;-3.31;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM425041;MM425041;C=CC(CN)C1CC1CC;HDXKTPUVJPZBSF-UHFFFAOYSA-N;139.24;1.79;;;;;DOPC;MDCG;27;1;"MARTINI bead: SC3_Nd";;;;;;;2.57;;-1.48;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM425042;MM425042;CNCCCC1(CN)CC1;SZDWXLKXJRLFMS-UHFFFAOYSA-N;142.25;0.72;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_SNd";;;;;;;0.87;;-5.33;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM425043;MM425043;C#CC=NOCOC=NN;GQKOVYXFEIAIDP-UHFFFAOYSA-N;141.13;-0.5;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_N0";;;;;;;0.06;;-2.21;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM425044;MM425044;CC=CC1=NOC(=O)CC1;RLZQXLBKZUHLNY-UHFFFAOYSA-N;139.15;1.26;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC5_SNa";;;;;;;1.64;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM425045;MM425045;C#CCC=CC(C=O)OC;QIHVCEMRTSOIQO-UHFFFAOYSA-N;138.17;0.78;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_C5";;;;;;;0.81;;-0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM425046;MM425046;CCC1CC1C(C#N)CO;MUBWQLFGDMIERZ-UHFFFAOYSA-N;139.2;1.16;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC3_P2";;;;;;;1.46;;-0.15;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM425047;MM425047;CCC12CC(C1)C(C)=C2C;URXRSXVRCBGLCU-UHFFFAOYSA-N;136.24;3.14;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC2_SC3";;;;;;;4.53;;0.32;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM425048;MM425048;CNCCCC1(CO)CC1;LOBYMZNGXAIIIC-UHFFFAOYSA-N;143.23;0.76;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_SNda";;;;;;;0.87;;-5.04;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM425049;MM425049;CC#CC1=CC(=NO)CO1;OETZTOASAUIPCV-UHFFFAOYSA-N;137.14;0.75;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC5_SNda";;;;;;;1.64;;0.05;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM425050;MM425050;C=C1CN=C(C=CC)NC1;SAOYDGNLPQPOBC-UHFFFAOYSA-N;136.2;1.12;;;;;DOPC;MDCG;27;1;"MARTINI bead: SC5_SP1";;;;;;;0.81;;-3.15;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM425051;MM425051;C#CCC=CN(C=O)NC;VQIAAMDJHZQVPV-UHFFFAOYSA-N;138.17;0.12;;;;;DOPC;MDCG;27;0;"MARTINI bead: P3_C5";;;;;;;-0.33;;-2.01;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM425052;MM425052;C=CC(CC)C1CC1CN;ZLYFQNBSJWIILJ-UHFFFAOYSA-N;139.24;1.79;;;;;DOPC;MDCG;27;1;"MARTINI bead: C1_SNd";;;;;;;2.91;;-0.56;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM425053;MM425053;C=CC12CC(C1)C(C)=C2C;OPNVSPBNGRRCAM-UHFFFAOYSA-N;134.22;2.92;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC3_SC4";;;;;;;3.9;;0.47;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM425054;MM425054;CCC#CCCOC=NN;HUHNDIKVKPOLKQ-UHFFFAOYSA-N;140.19;0.71;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1_P3";;;;;;;0.94;;0.03;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM425055;MM425055;CNCCCC1(CF)CC1;VKCCMHKLOVLTON-UHFFFAOYSA-N;145.22;1.74;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_SC5";;;;;;;1.64;;-3.02;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM425056;MM425056;CC#CC1=CCN(C)CC1;QYZBSYJGQAKSIX-UHFFFAOYSA-N;135.21;1.27;;;;;DOPC;MDCG;27;1;"MARTINI bead: SN0_SNd";;;;;;;1.17;;-2.29;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM425057;MM425057;C#CCC=CN(C=N)OC;IPIOUTLNRISNRR-UHFFFAOYSA-N;138.17;0.99;;;;;DOPC;MDCG;27;1;"MARTINI bead: P2_C5";;;;;;;0.54;;-2.19;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM425058;MM425058;C=CC(CN)C1CC1CN;FACNJLIPLHZFIU-UHFFFAOYSA-N;140.23;0.34;;;;;DOPC;MDCG;27;1;"MARTINI bead: SNd_Nd";;;;;;;0.87;;-5.19;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM425059;MM425059;CC1=C(C)C2(C#N)CC1C2;GNFTXSBQNJPGCU-UHFFFAOYSA-N;133.19;2.26;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC3_SN0";;;;;;;2.87;;0.37;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM425060;MM425060;C=CC#CCCOC=NN;OMPZUGBWTYGFSW-UHFFFAOYSA-N;138.17;0.48;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_C4";;;;;;;1.37;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM425061;MM425061;CCC1(CCCOC)CC1;NKBYBTSCVVQJEV-UHFFFAOYSA-N;142.24;2.6;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC3_Na";;;;;;;2.57;;0.45;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM425062;MM425062;C=C1CC=C(C#CC)CC1;NUSRPXQDHCOHMI-UHFFFAOYSA-N;132.21;2.68;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC2_SC4";;;;;;;4.16;;0.44;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM425063;MM425063;C=CC(CO)C1CC1CN;AFOMUICVOSRBMQ-UHFFFAOYSA-N;141.21;0.38;;;;;DOPC;MDCG;27;1;"MARTINI bead: SNd_Nda";;;;;;;0.87;;-4.72;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM425064;MM425064;C#CCN=CN(C=C)OC;YVMADTRNWLZGIB-UHFFFAOYSA-N;138.17;0.65;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_N0";;;;;;;0.34;;-1.53;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM425065;MM425065;C=CC12CC(C1)C(F)=C2C;CEHXJZRCGBSENM-UHFFFAOYSA-N;138.19;2.83;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC4_SC4";;;;;;;3.53;;0.53;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM425066;MM425066;CC#Cc1cc(NO)no1;MHAIBCPBDPLZJX-UHFFFAOYSA-N;138.13;0.85;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC5_SNda";;;;;;;1.64;;0.05;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM425067;MM425067;COCCCC1(CF)CC1;UNVYYKOOOALSLB-UHFFFAOYSA-N;146.21;2.16;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_SC5";;;;;;;1.64;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM425068;MM425068;CC#CC1=CCC(=O)CC1;FJLOWABRJMVVLK-UHFFFAOYSA-N;134.18;1.69;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC2_SNa";;;;;;;2.83;;0.35;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM425069;MM425069;NN=C1CC=C(F)C1;YOIGIQJNBFOOTB-UHFFFAOYSA-N;114.12;0.95;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNd_SC5";;;;;;;1.64;;0.02;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM425070;MM425070;CC1=C(F)C2CC1(C#N)C2;XEIJABOMQBRQNK-UHFFFAOYSA-N;137.16;2.16;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC4_SN0";;;;;;;2.5;;0.44;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM425071;MM425071;C#CCC=NN(C=N)CC;WRNFSBWJZMNOKT-UHFFFAOYSA-N;137.19;0.92;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_C5";;;;;;;0.54;;-1.09;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM425072;MM425072;CCCC1=CC(CC)C=C1;XGBLPZWUDDTIID-UHFFFAOYSA-N;136.24;3.31;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC2_SC3";;;;;;;4.53;;0.32;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM425073;MM425073;CCNCCC1(CC)CC1;QAHGYPRXTLIRKW-UHFFFAOYSA-N;141.26;2.18;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_SC3";;;;;;;2.57;;-1.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM425074;MM425074;C#CC12CC(C1)C(C)=C2C;JUTXQLCYBMPUNC-UHFFFAOYSA-N;132.21;2.37;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC3_SC5";;;;;;;3.34;;0.48;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM425075;MM425075;CC#CC1=CNC(=N)CC1;CFSKOKJWSARJAX-UHFFFAOYSA-N;134.18;1.25;;;;;DOPC;MDCG;27;1;"MARTINI bead: SN0_SNd";;;;;;;1.17;;-4.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM425076;MM425076;C=CC(CN)C1CC1CO;MTFXCIQBGMTXRB-UHFFFAOYSA-N;141.21;0.38;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_SNda";;;;;;;0.87;;-4.68;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM425077;MM425077;C#CCC=NN(C=O)CC;VRVJAJCODWFAQL-UHFFFAOYSA-N;138.17;0.47;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_C5";;;;;;;0.54;;-1.09;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM425078;MM425078;CCCC1=CC(CN)C=C1;LAFNZBRCJHPLFI-UHFFFAOYSA-N;137.23;1.86;;;;;DOPC;MDCG;27;1;"MARTINI bead: SC2_SNd";;;;;;;2.83;;-0.68;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM425079;MM425079;C#CC12CC(C1)C(F)=C2C;HQXXZKQMHVFFOV-UHFFFAOYSA-N;136.17;2.27;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC4_SC5";;;;;;;2.97;;0.45;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM425080;MM425080;CCNCCC1(CN)CC1;VAQJVLFJXUDETQ-UHFFFAOYSA-N;142.25;0.72;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_SNd";;;;;;;0.87;;-5.39;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM425081;MM425081;CC#CC1=CNC(=O)CC1;OZPVUFFKLMTYTC-UHFFFAOYSA-N;135.17;0.8;;;;;DOPC;MDCG;27;0;"MARTINI bead: SN0_SP1";;;;;;;0.34;;-1.53;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM425082;MM425082;C#CCNC(=N)C(C)=O;NEEIMQCEHCORMU-UHFFFAOYSA-N;124.14;-0.22;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_P2";;;;;;;-0.24;;-3.24;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM425083;MM425083;C#CC(C=CCCC)CC;NNIXVVDVNLQFAL-UHFFFAOYSA-N;136.24;3;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1_C3";;;;;;;4.61;;0.31;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM425084;MM425084;NCCC1=CC(CN)C=C1;HGQISXSLBDPYOP-UHFFFAOYSA-N;138.21;0.41;;;;;DOPC;MDCG;27;1;"MARTINI bead: SNd_SNd";;;;;;;0.87;;-5.15;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM425085;MM425085;C#CC12CC(N1)C(F)=C2C;GAXXDIJRSJDLIZ-UHFFFAOYSA-N;137.16;0.98;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC4_SP2";;;;;;;1.09;;-0.37;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM425086;MM425086;CCNCCC1(CO)CC1;FOSRETALNANGIC-UHFFFAOYSA-N;143.23;0.76;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_SNda";;;;;;;0.87;;-4.82;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM425087;MM425087;C=C1CCC(C#CC)=CO1;FBVSHEPQNRBACZ-UHFFFAOYSA-N;134.18;2.22;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC4_SC5";;;;;;;2.97;;0.45;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM425088;MM425088;N#CC(CO)C1CC1CO;BDXHVSUUHNXVCR-UHFFFAOYSA-N;141.17;-0.25;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNda_P2";;;;;;;-0.24;;-3.31;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM425089;MM425089;C#CC(C=CCCN)CC;FDQKRHFFEDBMQZ-UHFFFAOYSA-N;137.23;1.55;;;;;DOPC;MDCG;27;1;"MARTINI bead: C3_Nd";;;;;;;2.57;;-1.48;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM425090;MM425090;CCCC1=CC(CO)C=C1;ADWUTMBTNGTFRW-UHFFFAOYSA-N;138.21;1.89;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC2_SNda";;;;;;;2.83;;0.57;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM425091;MM425091;C=C1CC2(CC)CC1C2C;ZAWHBGUDQDLDOZ-UHFFFAOYSA-N;136.24;3;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC1_SC4";;;;;;;4.24;;0.42;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM425092;MM425092;CC#CC1=COC(=O)CC1;ORUHYSMPXVNSFU-UHFFFAOYSA-N;136.15;1.23;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC4_SNa";;;;;;;2.2;;0.34;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM425093;MM425093;C#CCC(C=NN)=CF;PHZYPLFAEYTBFZ-UHFFFAOYSA-N;126.13;0.81;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda_N0";;;;;;;1.17;;-1.13;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM425094;MM425094;CCNCCC1(CF)CC1;JWROGOPVYKCLGB-UHFFFAOYSA-N;145.22;1.74;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_SC5";;;;;;;1.64;;-3.09;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM425095;MM425095;C#CC(C=CCCO)CC;PRMZCTGSXOPIQP-UHFFFAOYSA-N;138.21;1.58;;;;;DOPC;MDCG;27;0;"MARTINI bead: C2_Nda";;;;;;;2.83;;0.57;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM425096;MM425096;NCCC1=CC(CO)C=C1;VDFBZCSMFALFTD-UHFFFAOYSA-N;139.2;0.44;;;;;DOPC;MDCG;27;1;"MARTINI bead: SNd_SNda";;;;;;;0.87;;-4.67;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM425097;MM425097;C=C1CC2(NC)CC1C2C;UIMCPIKMHFHMDD-UHFFFAOYSA-N;137.23;1.56;;;;;DOPC;MDCG;27;1;"MARTINI bead: SNd_SC4";;;;;;;2.2;;-2.5;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM425098;MM425098;C=CC(CC)C1CC1CF;MKJOVOALPRNEOW-UHFFFAOYSA-N;142.22;2.8;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1_SC5";;;;;;;3.68;;0.46;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM425099;MM425099;CC#CC1=NNC(=O)CC1;LXXKFIQQPWDBQJ-UHFFFAOYSA-N;136.15;0.28;;;;;DOPC;MDCG;27;0;"MARTINI bead: SN0_SNda";;;;;;;1.17;;-1.13;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM425100;MM425100;CCOCCC1(CC)CC1;QAJDZSHFEIDJAM-UHFFFAOYSA-N;142.24;2.6;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_SC3";;;;;;;3.34;;0.48;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM425101;MM425101;C#CC(C=CCCF)CC;NUBZVJNYEWWIHE-UHFFFAOYSA-N;140.2;2.56;;;;;DOPC;MDCG;27;0;"MARTINI bead: C3_C5";;;;;;;3.34;;0.48;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM425102;MM425102;CCCC1=CC(CF)C=C1;OOYUDAHBYHHZRE-UHFFFAOYSA-N;140.2;2.87;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC2_SC5";;;;;;;3.6;;0.34;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM425103;MM425103;CNC12CC(=O)C(C1)C2C;HCQIVWCUXWSZHV-UHFFFAOYSA-N;139.2;0.57;;;;;DOPC;MDCG;27;1;"MARTINI bead: SNd_SNa";;;;;;;0.87;;-4.34;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM425104;MM425104;C=CC(CN)C1CC1CF;MKAPKMSGCWMDOO-UHFFFAOYSA-N;143.21;1.35;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_SC5";;;;;;;1.64;;-2.66;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM425105;MM425105;CCOCCC1(CN)CC1;XKUBJBFEFYEFTP-UHFFFAOYSA-N;143.23;1.15;;;;;DOPC;MDCG;27;1;"MARTINI bead: C5_SNd";;;;;;;1.64;;-2.39;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM425106;MM425106;CC#CC1=NOC(=O)CC1;GARNYEMWHYMBJY-UHFFFAOYSA-N;137.14;0.7;;;;;DOPC;MDCG;27;0;"MARTINI bead: SN0_SNa";;;;;;;1.17;;-1.18;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM425107;MM425107;C#CC(C=CCCC)CN;NTZZTPFGZZJSPZ-UHFFFAOYSA-N;137.23;1.55;;;;;DOPC;MDCG;27;1;"MARTINI bead: C1_Nd";;;;;;;2.91;;-0.23;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM425108;MM425108;C=CC12CC(=C)C(C1)C2C;VOXIGRZDJHPSLQ-UHFFFAOYSA-N;134.22;2.77;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC4_SC3";;;;;;;3.9;;0.47;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM425109;MM425109;NCCC1=CC(CF)C=C1;AQZIAIAODGOANO-UHFFFAOYSA-N;141.19;1.42;;;;;DOPC;MDCG;27;1;"MARTINI bead: SNd_SC5";;;;;;;1.64;;-2.65;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM425110;MM425110;CCCC1=CC=C(C)CC1;QDSVHUIXOBBMCW-UHFFFAOYSA-N;136.24;3.45;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC1_SC4";;;;;;;4.24;;0.42;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM425111;MM425111;C=CC(NC)C1CC1CC;HZKPXELNMHBYEZ-UHFFFAOYSA-N;139.24;1.81;;;;;DOPC;MDCG;27;1;"MARTINI bead: SC3_Nd";;;;;;;2.57;;-1.28;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM425112;MM425112;CCOCCC1(CO)CC1;QGZOQLIEBBFZSY-UHFFFAOYSA-N;144.21;1.19;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_SNda";;;;;;;1.64;;0.05;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM425113;MM425113;C#CC(C=CCCO)CN;XSUIJRVXODCCBQ-UHFFFAOYSA-N;139.2;0.13;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_P1";;;;;;;0.04;;-5.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM425114;MM425114;C=C1CC2(C=O)CC1C2C;ZXFYFLRJAKBJBI-UHFFFAOYSA-N;136.19;1.79;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC4_SNa";;;;;;;2.2;;0.34;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM425115;MM425115;CNCC1=CC(CO)C=C1;NZZWWKBTPYRIFB-UHFFFAOYSA-N;139.2;0.31;;;;;DOPC;MDCG;27;1;"MARTINI bead: SNd_SNda";;;;;;;0.87;;-4.25;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM425116;MM425116;CCCC1=CC=C(F)CC1;STXQWBXUSZZUEK-UHFFFAOYSA-N;140.2;3.36;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC1_SC4";;;;;;;4.24;;0.42;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM425117;MM425117;CCOCCC1(CF)CC1;YPCHXAJOMSOQQP-UHFFFAOYSA-N;146.21;2.16;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_SC5";;;;;;;2.41;;0.64;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM425118;MM425118;C=CC(OC)C1CC1CC;QAICSNPZZRCBHG-UHFFFAOYSA-N;140.23;2.23;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC3_Na";;;;;;;2.57;;0.45;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM425119;MM425119;C=CCNN=C(C)OCC;FKKFDXJRMGVSTP-UHFFFAOYSA-N;142.2;1.13;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_P2";;;;;;;0.54;;-1.09;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM425120;MM425120;C=CC12CC(=O)C(C1)C2C;CBVIDQWREOMQML-UHFFFAOYSA-N;136.19;1.79;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC4_SNa";;;;;;;2.2;;0.34;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM425121;MM425121;CCCC1=CC(NC)C=C1;SKYLAPDNJPXFPO-UHFFFAOYSA-N;137.23;1.87;;;;;DOPC;MDCG;27;1;"MARTINI bead: SC2_SNd";;;;;;;2.83;;0.27;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM425122;MM425122;C=CCC1=CC=C(C)CC1;LNWOLQKETOEPBC-UHFFFAOYSA-N;134.22;3.23;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC4_SC2";;;;;;;4.16;;0.44;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM425123;MM425123;CCCNCC1(CC)CC1;GWMLBYPOEADYAL-UHFFFAOYSA-N;141.26;2.18;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_SC3";;;;;;;2.57;;-1.97;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM425124;MM425124;CCC1CC1C(C=O)OC;UIXUTISCGSQEHU-UHFFFAOYSA-N;142.2;1.25;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC3_P1";;;;;;;1.74;;0.29;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM425125;MM425125;C#CC(C=CCCC)CF;RUVXISRHAGDEKW-UHFFFAOYSA-N;140.2;2.56;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1_Na";;;;;;;2.91;;0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM425126;MM425126;CC1=CC=C(CC#N)CC1;UROJPOWFTOFPNO-UHFFFAOYSA-N;133.19;2.57;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC4_SC5";;;;;;;2.97;;0.45;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM425127;MM425127;CNC(=NN(C)C=O)NC;HRRHNEITIUXHBI-UHFFFAOYSA-N;144.18;-1.22;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_P2";;;;;;;-1.34;;-4.31;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM425128;MM425128;CNC1C=CC(CCN)=C1;MBLYQVBJAMNRPG-UHFFFAOYSA-N;138.21;0.42;;;;;DOPC;MDCG;27;1;"MARTINI bead: SNd_SNd";;;;;;;0.87;;-4.89;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM425129;MM425129;CCCNCC1(CN)CC1;IHQILXRBQLIYGO-UHFFFAOYSA-N;142.25;0.72;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_SNd";;;;;;;0.87;;-5.08;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM425130;MM425130;CCC1CC1C(C#N)OC;ZQGADEYUJUZFRQ-UHFFFAOYSA-N;139.2;1.57;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC3_P1";;;;;;;1.74;;0.29;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM425131;MM425131;C#CC12CC(=C)C(C1)C2=O;CVSZSCHFXWGAKD-UHFFFAOYSA-N;132.16;1.15;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC4_SNa";;;;;;;2.2;;0.34;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM425132;MM425132;C=CCC1=CC=C(F)CC1;ILMWLEWKGLWGEH-UHFFFAOYSA-N;138.19;3.14;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC4_SC2";;;;;;;4.16;;0.44;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM425133;MM425133;C#CC(C=CCCN)CF;SBNXMVAKUQTTCW-UHFFFAOYSA-N;141.19;1.11;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_Na";;;;;;;0.87;;-4.64;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM425134;MM425134;CCCC1=CC(OC)C=C1;NWAYVRURSXKWHQ-UHFFFAOYSA-N;138.21;2.3;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC2_SNa";;;;;;;2.83;;0.35;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM425135;MM425135;NCCNCC1(CN)CC1;JHMRNPOZGOVKIX-UHFFFAOYSA-N;143.23;-0.73;;;;;DOPC;MDCG;27;1;"MARTINI bead: P3_SNd";;;;;;;-1.1;;-6.41;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM425136;MM425136;C=CC(OC)C1CC1CN;VWLFYRHTPODXMK-UHFFFAOYSA-N;141.21;0.78;;;;;DOPC;MDCG;27;1;"MARTINI bead: Na_SNd";;;;;;;0.87;;-4.68;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM425137;MM425137;CNC12C=C(C)C(C1)C2C;PIVKPLRTYSSWDW-UHFFFAOYSA-N;137.23;1.56;;;;;DOPC;MDCG;27;1;"MARTINI bead: SNd_SC4";;;;;;;2.2;;-1.79;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM425138;MM425138;C#CC(C=CCCO)CF;RCHKMBRODRENMM-UHFFFAOYSA-N;142.17;1.14;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda_Na";;;;;;;0.87;;-1.99;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM425139;MM425139;N#CCC1=CC=C(F)CC1;RGHWUPWBTZHUMT-UHFFFAOYSA-N;137.16;2.47;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC4_SC5";;;;;;;2.97;;0.45;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM425140;MM425140;COC1C=CC(CCN)=C1;NRXYYZXUYLSGNV-UHFFFAOYSA-N;139.2;0.85;;;;;DOPC;MDCG;27;1;"MARTINI bead: SNa_SNd";;;;;;;0.87;;-4.63;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM425141;MM425141;CCCNCC1(CO)CC1;KHEFWNWDTMEXJM-UHFFFAOYSA-N;143.23;0.76;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_SNda";;;;;;;0.87;;-4.67;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM425142;MM425142;C=CC(OC)C1CC1CO;IWKYHDXZRJTILW-UHFFFAOYSA-N;142.2;0.82;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_SNda";;;;;;;0.87;;-1.99;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM425143;MM425143;C#CC12C=C(C)C(C1)C2=O;INVSFIAPYLWSFH-UHFFFAOYSA-N;132.16;1.15;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC4_SNa";;;;;;;2.2;;0.34;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM425144;MM425144;C#CC(C=CCNC)CC;FCPDZAYVWVAIRU-UHFFFAOYSA-N;137.23;1.42;;;;;DOPC;MDCG;27;1;"MARTINI bead: C3_Nd";;;;;;;2.57;;-1.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM425145;MM425145;CC1=CC=C(NC=N)CC1;UDUZESUEJMHWSA-UHFFFAOYSA-N;136.2;1.81;;;;;DOPC;MDCG;27;1;"MARTINI bead: SC4_SNd";;;;;;;2.2;;-3.01;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM425146;MM425146;CCCc1ccn(CC)c1;NVGSFMYZIDLKCV-UHFFFAOYSA-N;137.23;2.46;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC4_SC5";;;;;;;2.97;;0.45;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM425147;MM425147;NCCNCC1(CO)CC1;JUAPSOHETLCLES-UHFFFAOYSA-N;144.22;-0.69;;;;;DOPC;MDCG;27;1;"MARTINI bead: P3_SNda";;;;;;;-1.1;;-6.32;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM425148;MM425148;C=CC(OC)C1CC1CF;WNFYWHCYCBXVCU-UHFFFAOYSA-N;144.19;1.79;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_SC5";;;;;;;1.64;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM425149;MM425149;CCC1CC2(CC)CC1C2;CSAISXXCMSWFIG-UHFFFAOYSA-N;138.25;3.22;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC1_SC1";;;;;;;4.95;;0.69;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM425150;MM425150;C#CC(C=CCNC)CF;UNARWKHXBSEVRS-UHFFFAOYSA-N;141.19;0.98;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_Na";;;;;;;0.87;;-4.22;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM425151;MM425151;N=CNC1=CC=C(F)CC1;PLSDTDWODATFRL-UHFFFAOYSA-N;140.16;1.71;;;;;DOPC;MDCG;27;1;"MARTINI bead: SC4_SNd";;;;;;;2.2;;-2.94;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM425152;MM425152;CCn1ccc(CCN)c1;UQPPSJNXCMWCGO-UHFFFAOYSA-N;138.21;1.01;;;;;DOPC;MDCG;27;1;"MARTINI bead: SC5_SNd";;;;;;;1.64;;-2.25;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM425153;MM425153;OCCNCC1(CO)CC1;FXHQUKHQGIKYRB-UHFFFAOYSA-N;145.2;-0.66;;;;;DOPC;MDCG;27;1;"MARTINI bead: P2_SNda";;;;;;;-0.24;;-5.34;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM425154;MM425154;COC(C#N)C1CC1CF;RJDZCQYOEDLYIS-UHFFFAOYSA-N;143.16;1.13;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_SC5";;;;;;;0.81;;-0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM425155;MM425155;CCC12CC(CN)C(C1)C2;NIFNTHSZENLECP-UHFFFAOYSA-N;139.24;1.77;;;;;DOPC;MDCG;27;1;"MARTINI bead: SC1_SC5";;;;;;;3.68;;0.56;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM425156;MM425156;C#CC(C=CCOC)CC;OJYMZIFHGOLATA-UHFFFAOYSA-N;138.21;1.85;;;;;DOPC;MDCG;27;0;"MARTINI bead: C3_Na";;;;;;;2.57;;0.45;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM425157;MM425157;C=COC1=CC=C(C)CC1;PTDXOPWHRNOHIU-UHFFFAOYSA-N;136.19;2.77;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC4_SC4";;;;;;;3.53;;0.53;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM425158;MM425158;CCCc1ccn(NC)c1;VKCRXSUDUMSKDE-UHFFFAOYSA-N;138.21;1.61;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC4_SNd";;;;;;;2.2;;0.32;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM425159;MM425159;CCCNCC1(CF)CC1;UZZXLBPAIHEETR-UHFFFAOYSA-N;145.22;1.74;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_SC5";;;;;;;1.64;;-2.8;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM425160;MM425160;C=CC(CC)C1CC1NC;SSBOFSGGBCWZSM-UHFFFAOYSA-N;139.24;1.81;;;;;DOPC;MDCG;27;1;"MARTINI bead: C1_SNd";;;;;;;2.91;;-0.58;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM425161;MM425161;CCC1CC2(CN)CC1C2;SANUKJZLBKNHPJ-UHFFFAOYSA-N;139.24;1.77;;;;;DOPC;MDCG;27;1;"MARTINI bead: SC1_SNd";;;;;;;2.91;;-0.29;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM425162;MM425162;C#CC(C=CCOC)CF;CIDBWPQTPWVZBG-UHFFFAOYSA-N;142.17;1.41;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_C5";;;;;;;1.64;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM425163;MM425163;C=CCC1=NN=C(C)CC1;BDHHMJPZRQEVOS-UHFFFAOYSA-N;136.2;2.17;;;;;DOPC;MDCG;27;0;"MARTINI bead: SN0_SC5";;;;;;;1.94;;0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM425164;MM425164;CNn1ccc(CCN)c1;GOCYBUDHXVWEQO-UHFFFAOYSA-N;139.2;0.16;;;;;DOPC;MDCG;27;1;"MARTINI bead: SNd_SNd";;;;;;;0.87;;-4.45;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM425165;MM425165;NCCNCC1(CF)CC1;ZOXVXVHMYGXRCC-UHFFFAOYSA-N;146.21;0.28;;;;;DOPC;MDCG;27;1;"MARTINI bead: P3_SC5";;;;;;;-0.33;;-4.45;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM425166;MM425166;NCC1CC2(CN)CC1C2;CYYDAQGEPBNBJM-UHFFFAOYSA-N;140.23;0.32;;;;;DOPC;MDCG;27;1;"MARTINI bead: SC5_SNd";;;;;;;1.64;;-2.87;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM425167;MM425167;CC1=NN=C(CC#N)CC1;TWCVEEVRKKOMAT-UHFFFAOYSA-N;135.17;1.51;;;;;DOPC;MDCG;27;0;"MARTINI bead: SN0_SC5";;;;;;;1.94;;0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM425168;MM425168;CCC(C=O)C1CC1NC;BIAOXFHCOUDQSO-UHFFFAOYSA-N;141.21;0.82;;;;;DOPC;MDCG;27;1;"MARTINI bead: C5_SNd";;;;;;;1.64;;-2.41;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM425169;MM425169;C#CC(C=COCC)CC;PGNWRRSFCYSVKG-UHFFFAOYSA-N;138.21;2.2;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_C3";;;;;;;3.34;;0.48;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM425170;MM425170;CNCc1ccn(NC)c1;SUUXKSHOFLHNMW-UHFFFAOYSA-N;139.2;0.38;;;;;DOPC;MDCG;27;1;"MARTINI bead: SNd_SNd";;;;;;;0.87;;-3.95;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM425171;MM425171;OCCNCC1(CF)CC1;SZHPLPBQVDGBIH-UHFFFAOYSA-N;147.19;0.32;;;;;DOPC;MDCG;27;1;"MARTINI bead: P2_SC5";;;;;;;0.54;;-3.26;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM425172;MM425172;C=CN(C)C(=O)C(C)=NN;QIOGSWPLYWFKQP-UHFFFAOYSA-N;141.17;-0.08;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_Nd";;;;;;;-0.24;;-3.16;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM425173;MM425173;CC(C)C1C(C)C1(C)O;LQGMWGKDCLDEQD-UHFFFAOYSA-N;128.22;1.66;;;;;DOPC;MDCG;27;0;"MARTINI bead: C3_SNda";;;;;;;2.57;;0.44;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM425174;MM425174;C=CC(CN)C1CC1NC;JRVOMEVDLYFVPW-UHFFFAOYSA-N;140.23;0.36;;;;;DOPC;MDCG;27;1;"MARTINI bead: SNd_Nd";;;;;;;0.87;;-5.2;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM425175;MM425175;C#CC(C=COCC)CN;GKJHQJHUQOPCGD-UHFFFAOYSA-N;139.2;0.74;;;;;DOPC;MDCG;27;1;"MARTINI bead: Na_Nd";;;;;;;0.87;;-4.31;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM425176;MM425176;CCCc1ccn(OC)c1;YZQDLGQYJCIWGM-UHFFFAOYSA-N;139.2;1.5;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC4_SNa";;;;;;;2.2;;0.34;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM425177;MM425177;CCCOCC1(CC)CC1;LYPHGKAETISKHD-UHFFFAOYSA-N;142.24;2.6;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_SC3";;;;;;;2.57;;0.45;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM425178;MM425178;C#CCC1=CC=C(C)CC1;AKUMUXXIYZMVER-UHFFFAOYSA-N;132.21;2.68;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC4_SC3";;;;;;;3.9;;0.47;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM425179;MM425179;NCC1CC2(CF)CC1C2;UDBBQSLPEYUASU-UHFFFAOYSA-N;143.21;1.33;;;;;DOPC;MDCG;27;1;"MARTINI bead: SC5_SC4";;;;;;;2.97;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM425180;MM425180;C=CC(CO)C1CC1NC;RHRCCVHRNXXHFA-UHFFFAOYSA-N;141.21;0.39;;;;;DOPC;MDCG;27;1;"MARTINI bead: SNd_Nda";;;;;;;0.87;;-4.43;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM425181;MM425181;C#CC(C=COCC)CO;KLNANNJVVWUVBU-UHFFFAOYSA-N;140.18;0.78;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_Nda";;;;;;;0.87;;-1.99;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM425182;MM425182;COn1ccc(CCN)c1;WRDRLHJRXUXNOY-UHFFFAOYSA-N;140.19;0.05;;;;;DOPC;MDCG;27;1;"MARTINI bead: SNa_SNd";;;;;;;0.87;;-4.2;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM425183;MM425183;CCC1(COCCN)CC1;QYQIXZNUIKYSIF-UHFFFAOYSA-N;143.23;1.15;;;;;DOPC;MDCG;27;1;"MARTINI bead: SC3_P2";;;;;;;1.46;;-2.07;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM425184;MM425184;C#CCC1=CC=C(F)CC1;XRFHDRYKZFHMOM-UHFFFAOYSA-N;136.17;2.58;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC4_SC3";;;;;;;3.9;;0.47;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM425185;MM425185;CCC1CC2(NC)CC1C2;RJBFJQYZAQYTNU-UHFFFAOYSA-N;139.24;1.78;;;;;DOPC;MDCG;27;1;"MARTINI bead: SC1_SNd";;;;;;;2.91;;-0.8;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM425186;MM425186;CNC1CC1C(C#N)CO;XEKYRDYLTXQRJB-UHFFFAOYSA-N;140.19;-0.27;;;;;DOPC;MDCG;27;1;"MARTINI bead: SNd_P2";;;;;;;-0.24;;-4.66;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM425187;MM425187;CCCOCC1(CN)CC1;FWGIBNCYCNQWGC-UHFFFAOYSA-N;143.23;1.15;;;;;DOPC;MDCG;27;1;"MARTINI bead: Na_SNd";;;;;;;0.87;;-4.32;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM425188;MM425188;CCNc1ccn(CC)c1;SSWVJJMUUJHRAB-UHFFFAOYSA-N;138.21;1.94;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC5_SC5";;;;;;;2.41;;0.64;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM425189;MM425189;C#CC(C=COCC)CF;LKINUMCZFVFDME-UHFFFAOYSA-N;142.17;1.76;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_C5";;;;;;;1.64;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM425190;MM425190;CCC1CC2(OC)CC1C2;YYWLHJDNABAZAY-UHFFFAOYSA-N;140.23;2.21;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC1_SC5";;;;;;;3.68;;0.46;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM425191;MM425191;C#CCC1=NN=C(C)CC1;ADMDEHQGLFRPBX-UHFFFAOYSA-N;134.18;1.62;;;;;DOPC;MDCG;27;0;"MARTINI bead: SN0_SC5";;;;;;;1.94;;0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM425192;MM425192;NCCOCC1(CN)CC1;UDAIORBRUGEBMC-UHFFFAOYSA-N;144.22;-0.3;;;;;DOPC;MDCG;27;1;"MARTINI bead: P2_SNd";;;;;;;-0.24;;-5.72;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM425193;MM425193;C=CC(NC)C1CC1NC;OZLYDWSDLMTPFJ-UHFFFAOYSA-N;140.23;0.37;;;;;DOPC;MDCG;27;1;"MARTINI bead: SNd_Nd";;;;;;;0.87;;-4.76;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM425194;MM425194;CCNc1ccn(NC)c1;ORBYMXVKYSYEDW-UHFFFAOYSA-N;139.2;1.09;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC5_SNd";;;;;;;1.64;;0.02;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM425195;MM425195;C#CC(C=CCCC)NC;ZRBZZJAPOCOSLZ-UHFFFAOYSA-N;137.23;1.56;;;;;DOPC;MDCG;27;1;"MARTINI bead: C1_P1";;;;;;;2.08;;0.23;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM425196;MM425196;CCC1NC2(CC)CC1C2;SZUNQWSEMAAPKD-UHFFFAOYSA-N;139.24;1.93;;;;;DOPC;MDCG;27;1;"MARTINI bead: SN0_SNd";;;;;;;1.17;;-5;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM425197;MM425197;CC=CC1=CC=C(C)CC1;XAZOKDRTXSBGPO-UHFFFAOYSA-N;134.22;3.23;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC1_SC4";;;;;;;4.24;;0.42;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM425198;MM425198;CCNc1ccn(OC)c1;LLMVUVILWOLPOG-UHFFFAOYSA-N;140.19;0.98;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC5_SNa";;;;;;;1.64;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM425199;MM425199;CCCOCC1(CO)CC1;HQXVRGIPPXMMQL-UHFFFAOYSA-N;144.21;1.19;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_SNda";;;;;;;0.87;;-1.99;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM425200;MM425200;CNC(C#N)C1CC1NC;RPIIJSZITSWGQN-UHFFFAOYSA-N;139.2;-0.29;;;;;DOPC;MDCG;27;1;"MARTINI bead: SNd_P2";;;;;;;-0.24;;-4.58;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM425201;MM425201;C#CC(C=CCCN)NC;MKHIMQJELRMZLS-UHFFFAOYSA-N;138.21;0.11;;;;;DOPC;MDCG;27;1;"MARTINI bead: P2_Nd";;;;;;;-0.24;;-5.91;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM425202;MM425202;CCC12CC(C1)C(CN)N2;LROMSPFZIAZEPP-UHFFFAOYSA-N;140.23;0.48;;;;;DOPC;MDCG;27;1;"MARTINI bead: SNd_SP1";;;;;;;0.04;;-6.03;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM425203;MM425203;CC=CC1=CC=C(F)CC1;BESKFGRUCLUCAH-UHFFFAOYSA-N;138.19;3.14;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC1_SC4";;;;;;;4.24;;0.42;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM425204;MM425204;CCOc1ccn(NC)c1;HVWWDQPRHGCKPM-UHFFFAOYSA-N;140.19;1.06;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNa_SNd";;;;;;;0.87;;-1.88;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM425205;MM425205;NCCOCC1(CO)CC1;YKFDQVCGRLNOSM-UHFFFAOYSA-N;145.2;-0.27;;;;;DOPC;MDCG;27;1;"MARTINI bead: P2_SNda";;;;;;;-0.24;;-5.35;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM425206;MM425206;C=CC(OC)C1CC1NC;DRIKLYXZWGUMSJ-UHFFFAOYSA-N;141.21;0.8;;;;;DOPC;MDCG;27;1;"MARTINI bead: SNd_Na";;;;;;;0.87;;-4.48;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM425207;MM425207;C#CC(C=CCCF)NC;SKKFTVLPRZQFPW-UHFFFAOYSA-N;141.19;1.12;;;;;DOPC;MDCG;27;1;"MARTINI bead: P2_C5";;;;;;;0.54;;-2.25;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM425208;MM425208;CCC1NC2(CO)CC1C2;RMBQFNMDUWMKED-UHFFFAOYSA-N;141.21;0.51;;;;;DOPC;MDCG;27;1;"MARTINI bead: SN0_SP1";;;;;;;0.34;;-4.78;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM425209;MM425209;CCOc1ccn(OC)c1;BNAVRUPSNVZQMS-UHFFFAOYSA-N;141.17;0.95;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNa_SNa";;;;;;;0.87;;-2.22;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM425210;MM425210;CC=CC1=NN=C(C)CC1;BZPANVPPPDHBJK-UHFFFAOYSA-N;136.2;2.17;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC4_SN0";;;;;;;2.5;;0.44;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM425211;MM425211;OCCOCC1(CO)CC1;YXYHQEYJLNHLHE-UHFFFAOYSA-N;146.19;-0.23;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_SNda";;;;;;;-0.24;;-3.31;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM425212;MM425212;CNC1CC1C(C=O)OC;SSGASDDIVZXQTM-UHFFFAOYSA-N;143.19;-0.19;;;;;DOPC;MDCG;27;1;"MARTINI bead: SNd_P1";;;;;;;0.04;;-4.91;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM425213;MM425213;C#CC(C=CCNC)NC;IAMUGINELRVTEF-UHFFFAOYSA-N;138.21;-0.02;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_P2";;;;;;;-0.24;;-5.51;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM425214;MM425214;CCC1OC2(CC)CC1C2;DLROHBKLVZVWDD-UHFFFAOYSA-N;140.23;2.35;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC5_SNa";;;;;;;1.64;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM425215;MM425215;CCCc1cnn(CC)c1;PONBSGGNTVFXNG-UHFFFAOYSA-N;138.21;1.86;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC5_SNa";;;;;;;1.64;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM425216;MM425216;CCCOCC1(CF)CC1;IFXINUXCJWXWNY-UHFFFAOYSA-N;146.21;2.16;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_SC5";;;;;;;1.64;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM425217;MM425217;CC1=NN=C(C=CN)CC1;MGLKAIBECJMAEL-UHFFFAOYSA-N;137.19;1.07;;;;;DOPC;MDCG;27;0;"MARTINI bead: SN0_SNd";;;;;;;1.17;;-1.04;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM425218;MM425218;CNC1CC1C(C#N)OC;IKKUSOLRVZWPCP-UHFFFAOYSA-N;140.19;0.13;;;;;DOPC;MDCG;27;1;"MARTINI bead: SNd_P1";;;;;;;0.04;;-4.2;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM425219;MM425219;CCC1OC2(CN)CC1C2;XCUXCENJEOHQDA-UHFFFAOYSA-N;141.21;0.9;;;;;DOPC;MDCG;27;1;"MARTINI bead: SC5_SP1";;;;;;;0.81;;-2.61;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM425220;MM425220;C#CC(C=CCCC)OC;VRKZHNCUELOSGR-UHFFFAOYSA-N;138.21;1.99;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1_Na";;;;;;;2.91;;0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM425221;MM425221;CCn1cc(CCN)cn1;SPRMDZOMTNLSBO-UHFFFAOYSA-N;139.2;0.4;;;;;DOPC;MDCG;27;1;"MARTINI bead: SNa_SP1";;;;;;;0.04;;-4.78;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM425222;MM425222;OCCOCC1(CF)CC1;WWHXETKTZKOLRX-UHFFFAOYSA-N;148.18;0.75;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_SC5";;;;;;;0.54;;-1.09;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM425223;MM425223;CC#CC1=CC=C(C)CC1;LWOBBXHZTMJQIR-UHFFFAOYSA-N;132.21;2.68;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC3_SC4";;;;;;;3.9;;0.47;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM425224;MM425224;C=CC(CC)C1CC1OC;CCTOEZSPVORQIT-UHFFFAOYSA-N;140.23;2.23;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1_SNa";;;;;;;2.91;;0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM425225;MM425225;C#CC(C=CCCF)OC;IAEWXSVBXPJSFY-UHFFFAOYSA-N;142.17;1.55;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_C4";;;;;;;2.2;;0.34;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM425226;MM425226;CCC1OC2(CO)CC1C2;GXBWWRJXFDOEIH-UHFFFAOYSA-N;142.2;0.94;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC5_SP1";;;;;;;0.81;;-0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM425227;MM425227;CCCc1cnn(NC)c1;MJRJOBOEUCPRRX-UHFFFAOYSA-N;139.2;1.01;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC5_SP1";;;;;;;0.81;;-0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM425228;MM425228;CCC1(COCOC)CC1;MDPONUMNBKJRPP-UHFFFAOYSA-N;144.21;1.8;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC3_P1";;;;;;;1.74;;0.29;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM425229;MM425229;CCC(C=O)C1CC1OC;RYJGQVFZBSCYDQ-UHFFFAOYSA-N;142.2;1.25;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_SNa";;;;;;;1.64;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM425230;MM425230;CC#CC1=CC=C(F)CC1;GYVSUBKARSVOMZ-UHFFFAOYSA-N;136.17;2.58;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC3_SC4";;;;;;;3.9;;0.47;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM425231;MM425231;CCC1OC2(CF)CC1C2;IAFNJOPGZZJCBX-UHFFFAOYSA-N;144.19;1.91;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC5_SNa";;;;;;;1.64;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM425232;MM425232;C#CC(C=CCOC)OC;VKQCOTVFZAYARV-UHFFFAOYSA-N;140.18;0.84;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_Na";;;;;;;0.87;;-2.22;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM425233;MM425233;CNn1cc(CCN)cn1;ONMKEQDPSZJDPC-UHFFFAOYSA-N;140.19;-0.44;;;;;DOPC;MDCG;27;1;"MARTINI bead: SP1_SP1";;;;;;;-0.79;;-5.36;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM425234;MM425234;COCOCC1(CN)CC1;ZOJGWIIMCWCJQN-UHFFFAOYSA-N;145.2;0.35;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1_SNd";;;;;;;0.04;;-5.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM425235;MM425235;C=CC(CN)C1CC1OC;JAVUFKGUNVZDEW-UHFFFAOYSA-N;141.21;0.78;;;;;DOPC;MDCG;27;1;"MARTINI bead: SNa_Nd";;;;;;;0.87;;-4.64;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM425236;MM425236;CCC1CC2(CC)CN1C2;LZVWHICDEUMJAR-UHFFFAOYSA-N;139.24;1.88;;;;;DOPC;MDCG;27;1;"MARTINI bead: SNd_SN0";;;;;;;1.17;;-2.48;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM425237;MM425237;C#CC(C=COCC)OC;PSKALDCHKBAFQQ-UHFFFAOYSA-N;140.18;1.18;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_Na";;;;;;;0.87;;-2.22;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM425238;MM425238;CC#CC1=NN=C(C)CC1;FFFSUPZNWADJME-UHFFFAOYSA-N;134.18;1.62;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC5_SN0";;;;;;;1.94;;0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM425239;MM425239;CCCc1cnn(OC)c1;CZAVADIGYULXPQ-UHFFFAOYSA-N;140.19;0.89;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC5_SNa";;;;;;;1.64;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM425240;MM425240;COCOCC1(CO)CC1;OYZJTLMPQYOBKV-UHFFFAOYSA-N;146.19;0.38;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_SNda";;;;;;;0.04;;-2.73;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM425241;MM425241;CCC1CC2(CN)CN1C2;KZGRHPRQNGVVIA-UHFFFAOYSA-N;140.23;0.43;;;;;DOPC;MDCG;27;1;"MARTINI bead: SNd_SP2";;;;;;;-0.24;;-5.31;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM425242;MM425242;C=CC(CO)C1CC1OC;QBJNGOMHGAHOSC-UHFFFAOYSA-N;142.2;0.82;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNa_Nda";;;;;;;0.87;;-1.99;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM425243;MM425243;C#CC(C=NNCC)CC;PTPBEHGDCMVFCO-UHFFFAOYSA-N;138.21;1.24;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_C2";;;;;;;2;;0.3;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM425244;MM425244;CCCC1=CCN(C)N=C1;RMMYBPGRRGSQAG-UHFFFAOYSA-N;138.21;1.64;;;;;DOPC;MDCG;27;0;"MARTINI bead: SN0_SN0";;;;;;;1.47;;-0.05;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM425245;MM425245;COn1cc(CCN)cn1;WXECYTXXTGLDNQ-UHFFFAOYSA-N;141.17;-0.56;;;;;DOPC;MDCG;27;1;"MARTINI bead: SNa_SP1";;;;;;;0.04;;-4.74;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM425246;MM425246;C#CC(C=NNCC)CN;CHMGZUKNLOQOFQ-UHFFFAOYSA-N;139.2;-0.21;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_P2";;;;;;;-0.24;;-5.23;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM425247;MM425247;COC1CC1C(C#N)CF;UURKWFVJMXJAET-UHFFFAOYSA-N;143.16;1.13;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNa_Na";;;;;;;0.87;;-2.22;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM425248;MM425248;CCCCCC1(NC)CC1;LPTNKPIYFXXSIE-UHFFFAOYSA-N;141.26;2.32;;;;;DOPC;MDCG;27;1;"MARTINI bead: C1_SNd";;;;;;;2.91;;-0.65;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM425249;MM425249;CCC1CC2(NC)CN1C2;PKUFNFYPNYXCFR-UHFFFAOYSA-N;140.23;0.44;;;;;DOPC;MDCG;27;1;"MARTINI bead: SNd_SP2";;;;;;;-0.24;;-5.04;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM425250;MM425250;C=CCC1=CCN(C)N=C1;MBLDECZGLCSDQW-UHFFFAOYSA-N;136.2;1.42;;;;;DOPC;MDCG;27;0;"MARTINI bead: SN0_SN0";;;;;;;1.47;;-0.05;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM425251;MM425251;CCNc1cnn(CC)c1;UNGMQQGBHGRENQ-UHFFFAOYSA-N;139.2;1.33;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNd_SNa";;;;;;;0.87;;-1.88;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM425252;MM425252;CNC1(CCCCN)CC1;NSWHXSRCSGZMAZ-UHFFFAOYSA-N;142.25;0.87;;;;;DOPC;MDCG;27;1;"MARTINI bead: SNd_Nd";;;;;;;0.87;;-5.26;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM425253;MM425253;C#CC(C=NNCC)CF;BTULPCXWMHQHIO-UHFFFAOYSA-N;142.18;0.8;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_C5";;;;;;;0.81;;-0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM425254;MM425254;CCC1CC1N(C=N)CC;CBDITXSENUMGOX-UHFFFAOYSA-N;140.23;1.71;;;;;DOPC;MDCG;27;1;"MARTINI bead: SC3_Nd";;;;;;;2.57;;-2.66;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM425255;MM425255;C=CC1CC2(CF)CC1C2;UHRUFTKFUVUDDQ-UHFFFAOYSA-N;140.2;2.56;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC4_SC2";;;;;;;4.16;;0.44;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM425256;MM425256;O=CCc1ccc(=O)[nH]n1;JAXJAETXTCOHRY-UHFFFAOYSA-N;138.13;-0.49;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP1_SP2";;;;;;;-1.06;;-3.82;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM425257;MM425257;CCNc1cnn(NC)c1;YZRUZSVKKGVEER-UHFFFAOYSA-N;140.19;0.49;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNd_SP1";;;;;;;0.04;;-2.63;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM425258;MM425258;CNC1(CCCCO)CC1;UDKRKASTFSOEDW-UHFFFAOYSA-N;143.23;0.9;;;;;DOPC;MDCG;27;1;"MARTINI bead: SNd_Nda";;;;;;;0.87;;-4.82;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM425259;MM425259;CCC1CC1N(C=O)CC;IJYWQAKCHVSTCF-UHFFFAOYSA-N;141.21;1.26;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC3_P1";;;;;;;1.74;;0.29;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM425260;MM425260;C#CC(C=NOCC)CC;PQUHJCCXDODXOG-UHFFFAOYSA-N;139.2;1.67;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_C2";;;;;;;2;;0.29;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM425261;MM425261;C=CC1NC2(CO)CC1C2;ZRFNQVFDZSZUNI-UHFFFAOYSA-N;139.2;0.29;;;;;DOPC;MDCG;27;1;"MARTINI bead: SP1_SN0";;;;;;;0.34;;-3.97;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM425262;MM425262;N#CCc1ncc(N)cn1;PEQVVKRMRFQLBT-UHFFFAOYSA-N;134.14;0.12;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP1_SNa";;;;;;;0.04;;-2.54;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM425263;MM425263;CCNc1cnn(OC)c1;HZZVHSAEPJOBEG-UHFFFAOYSA-N;141.17;0.37;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNd_SNa";;;;;;;0.87;;-1.88;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM425264;MM425264;CCN(C=N)C1CC1CN;VBSASTWNJWLTMD-UHFFFAOYSA-N;141.22;0.26;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_SNd";;;;;;;0.87;;-6.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM425265;MM425265;CNC1(CCCCF)CC1;YGBHBQWDYFJLLQ-UHFFFAOYSA-N;145.22;1.88;;;;;DOPC;MDCG;27;1;"MARTINI bead: SNd_C4";;;;;;;2.2;;-2.32;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM425266;MM425266;CCC12CC(C1)N(C=N)C2;WEEBZUISZJYUII-UHFFFAOYSA-N;138.21;1.47;;;;;DOPC;MDCG;27;1;"MARTINI bead: SC2_SP1";;;;;;;2;;-2.39;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM425267;MM425267;C#CC(C=NOCC)CF;AECBIZWKLODJJP-UHFFFAOYSA-N;143.16;1.23;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_C5";;;;;;;0.81;;-0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM425268;MM425268;CCCc1cn(CC)cn1;KJWOJLFORJEUER-UHFFFAOYSA-N;138.21;1.86;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNa_SN0";;;;;;;1.17;;-1.17;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM425269;MM425269;C#CCc1cnc(C)nn1;JNRHYMDKIQCXDA-UHFFFAOYSA-N;133.15;0.36;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP1_SP1";;;;;;;-0.79;;-3.13;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM425270;MM425270;CCN(C=O)C1CC1CN;MCYJUWMCVNTTGP-UHFFFAOYSA-N;142.2;-0.19;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1_SNd";;;;;;;0.04;;-4.99;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM425271;MM425271;CNCCCC1(NC)CC1;IZYCRRHKULZPJW-UHFFFAOYSA-N;142.25;0.74;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_SNd";;;;;;;0.87;;-5.44;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM425272;MM425272;C#CC(C=NOCC)OC;ZIYHRSSKWJGRHG-UHFFFAOYSA-N;141.17;0.66;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_Na";;;;;;;0.87;;-2.22;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM425273;MM425273;C#CCc1ncc(F)cn1;DUDVYJWUGMHORJ-UHFFFAOYSA-N;136.13;0.79;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNa_SNa";;;;;;;0.87;;-2.22;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM425274;MM425274;N=CN1CC2(CN)CC1C2;NDNNJNPXYBZHDN-UHFFFAOYSA-N;139.2;0.02;;;;;DOPC;MDCG;27;1;"MARTINI bead: SNd_SP1";;;;;;;0.04;;-6.4;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM425275;MM425275;CCCc1cn(NC)cn1;DHGJSDXVFCXORS-UHFFFAOYSA-N;139.2;1.01;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNa_SP2";;;;;;;-0.24;;-3.24;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM425276;MM425276;C=NN(CC)C1CC1CC;ILAQZTJPBOCXEG-UHFFFAOYSA-N;140.23;1.72;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC3_P1";;;;;;;1.74;;0.29;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM425277;MM425277;CCNCCC1(NC)CC1;OBXHIIDYMJMEHX-UHFFFAOYSA-N;142.25;0.74;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_SNd";;;;;;;0.87;;-5.12;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM425278;MM425278;C#CC(C=CCC=C)CC;NYEWGWUXYNIBOL-UHFFFAOYSA-N;134.22;2.78;;;;;DOPC;MDCG;27;0;"MARTINI bead: C3_C2";;;;;;;4.53;;0.32;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM425279;MM425279;CCCc1cn(OC)cn1;AGRHGNHBLAEWGA-UHFFFAOYSA-N;140.19;0.89;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNa_SP1";;;;;;;0.04;;-2.54;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM425280;MM425280;N=CN1CC2(CO)CC1C2;UIXXDMWLQHFXPS-UHFFFAOYSA-N;140.19;0.05;;;;;DOPC;MDCG;27;1;"MARTINI bead: SNda_SP1";;;;;;;0.04;;-6.44;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM425281;MM425281;CC=Cc1ccc(C)cc1;LSMSSYSRCUNIFX-UHFFFAOYSA-N;132.21;3.03;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC2_SC4";;;;;;;4.16;;0.44;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM425282;MM425282;CCOCCC1(NC)CC1;SYYACUKWJODQRN-UHFFFAOYSA-N;143.23;1.17;;;;;DOPC;MDCG;27;1;"MARTINI bead: C5_SNd";;;;;;;1.64;;-2.56;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM425283;MM425283;C#CC(=NC=C)NN=C;XVQACFDOMXIVDJ-UHFFFAOYSA-N;121.14;0.37;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_P1";;;;;;;0.81;;-0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM425284;MM425284;CCNc1cn(CC)cn1;QKLVDLQFUCKDGC-UHFFFAOYSA-N;139.2;1.33;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNda_SN0";;;;;;;1.17;;-1.13;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM425285;MM425285;C#CC(C=CCC=O)CC;IKSVSPAJELTSTG-UHFFFAOYSA-N;136.19;1.79;;;;;DOPC;MDCG;27;0;"MARTINI bead: C2_Na";;;;;;;2.83;;0.35;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM425286;MM425286;CC(C)C1(C)CC1(C)O;AVCNCAKMZXHQHB-UHFFFAOYSA-N;128.22;1.8;;;;;DOPC;MDCG;27;0;"MARTINI bead: C3_SNda";;;;;;;2.57;;0.44;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM425287;MM425287;C=NN1CC2(CC)CC1C2;PZCFJGBYEUXRLF-UHFFFAOYSA-N;138.21;1.48;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC2_SP1";;;;;;;2;;0.3;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM425288;MM425288;CCCNCC1(NC)CC1;BKKMQOIZACGUGE-UHFFFAOYSA-N;142.25;0.74;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_SNd";;;;;;;0.87;;-4.74;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM425289;MM425289;C=NN(CC)C1CC1CF;DDHCTTGXLVZXMB-UHFFFAOYSA-N;144.19;1.28;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_SC5";;;;;;;0.81;;-0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM425290;MM425290;CCNc1cn(NC)cn1;VXWRYHCPAHUOMX-UHFFFAOYSA-N;140.19;0.49;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNda_SP2";;;;;;;-0.24;;-3.31;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM425291;MM425291;C#CC(C=CCC#N)CC;GLJOHCALSJCVBG-UHFFFAOYSA-N;133.19;2.12;;;;;DOPC;MDCG;27;0;"MARTINI bead: C2_P1";;;;;;;2;;0.29;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM425292;MM425292;CCCC1=CCC(F)=CC1;MCYZDSOUPKEPQP-UHFFFAOYSA-N;140.2;3.36;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC1_SC5";;;;;;;3.68;;0.46;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM425293;MM425293;C=NN1CC2(CN)CC1C2;JSODWVFCOLAXIJ-UHFFFAOYSA-N;139.2;0.03;;;;;DOPC;MDCG;27;1;"MARTINI bead: SNd_SP1";;;;;;;0.04;;-4.79;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM425294;MM425294;CCC1CC1N(C=N)NC;UCPJBKHHRVKTPT-UHFFFAOYSA-N;141.22;0.83;;;;;DOPC;MDCG;27;1;"MARTINI bead: SC3_P4";;;;;;;0.52;;-3.69;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM425295;MM425295;CNC1(CNCCN)CC1;FPQUCTDVDAWTFE-UHFFFAOYSA-N;143.23;-0.71;;;;;DOPC;MDCG;27;1;"MARTINI bead: SNd_P4";;;;;;;-1.19;;-7.11;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM425296;MM425296;C#CC(C=CCC=C)CN;XEMHPKUVJHYOHP-UHFFFAOYSA-N;135.21;1.33;;;;;DOPC;MDCG;27;1;"MARTINI bead: P2_C1";;;;;;;1.8;;-1.31;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM425297;MM425297;CCNc1cn(OC)cn1;GGTMMHPWTCIXGL-UHFFFAOYSA-N;141.17;0.37;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNda_SP1";;;;;;;0.04;;-2.73;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM425298;MM425298;CCCC1=CCC(F)=CO1;YUEUYZSTVIEQAA-UHFFFAOYSA-N;142.17;2.9;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC3_SN0";;;;;;;2.87;;0.37;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM425299;MM425299;CC(=NN)C(=O)N(C)C=N;KOPBEBYJWSJSNZ-UHFFFAOYSA-N;142.16;-0.61;;;;;DOPC;MDCG;27;0;"MARTINI bead: P3_Nd";;;;;;;-1.1;;-3.93;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM425300;MM425300;CNN(C=O)C1CC1CN;NRJDDAXURMWQOW-UHFFFAOYSA-N;143.19;-1.07;;;;;DOPC;MDCG;27;1;"MARTINI bead: P3_SNd";;;;;;;-1.1;;-6.28;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM425301;MM425301;CNC1(CNCCO)CC1;DLXVTSHKVIETHA-UHFFFAOYSA-N;144.22;-0.68;;;;;DOPC;MDCG;27;1;"MARTINI bead: SNd_P2";;;;;;;-0.24;;-5.31;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM425302;MM425302;C#CC(C=CCC#N)CF;FLUWXCGWHUGTJG-UHFFFAOYSA-N;137.16;1.68;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_P1";;;;;;;0.81;;-0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM425303;MM425303;CCCc1cn(CC)nn1;BIRIFUNGXWALHB-UHFFFAOYSA-N;139.2;1.25;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNa_SNa";;;;;;;0.87;;-2.22;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM425304;MM425304;C=CCC1=CCC(F)=CO1;AKWYFSIQBNVRMQ-UHFFFAOYSA-N;140.16;2.68;;;;;DOPC;MDCG;27;0;"MARTINI bead: SN0_SC4";;;;;;;2.5;;0.44;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM425305;MM425305;C=NN1CC2(CF)CC1C2;VSQUUANHNWFNTL-UHFFFAOYSA-N;142.18;1.04;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC5_SP1";;;;;;;0.81;;-0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM425306;MM425306;CCN(C=N)C1CC1NC;SZIJBMXBTLKTAC-UHFFFAOYSA-N;141.22;0.28;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_SNd";;;;;;;0.87;;-5.76;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM425307;MM425307;CCCc1cn(NC)nn1;BALRKFZJIVWHNZ-UHFFFAOYSA-N;140.19;0.4;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNa_SP2";;;;;;;-0.24;;-3.24;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM425308;MM425308;CCCOCC1(NC)CC1;VPBOSLKISBKKRF-UHFFFAOYSA-N;143.23;1.17;;;;;DOPC;MDCG;27;1;"MARTINI bead: Na_SNd";;;;;;;0.87;;-3.94;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM425309;MM425309;C#CC(C=CNC=N)CC;DDSLKYGQANJBCF-UHFFFAOYSA-N;136.2;1.36;;;;;DOPC;MDCG;27;1;"MARTINI bead: C2_P3";;;;;;;0.86;;-3.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM425310;MM425310;CC=CC1=COC(C)=CC1;FPZOFTPIYIJTEQ-UHFFFAOYSA-N;136.19;2.77;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC4_SC5";;;;;;;2.97;;0.45;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM425311;MM425311;CNC12CC(C1)N(C=N)C2;CPZXTWAAZWNJOS-UHFFFAOYSA-N;139.2;0.03;;;;;DOPC;MDCG;27;1;"MARTINI bead: SNd_SP1";;;;;;;0.04;;-6.08;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM425312;MM425312;C=NN(CC)C1CC1NC;LPQVCPHCAIZBCK-UHFFFAOYSA-N;141.22;0.28;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1_SNd";;;;;;;0.04;;-3.92;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM425313;MM425313;C#CC(C=CNC=O)CC;CSSVJWGCXHHBLY-UHFFFAOYSA-N;137.18;0.91;;;;;DOPC;MDCG;27;0;"MARTINI bead: C2_P3";;;;;;;0.86;;-0.3;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM425314;MM425314;CCCc1cn(OC)nn1;XRWMUQXSFXKUOI-UHFFFAOYSA-N;141.17;0.29;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNa_SP1";;;;;;;0.04;;-2.54;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM425315;MM425315;CC(N)C1C(N)C(C)C1N;FZURFLLNMQGYDA-UHFFFAOYSA-N;143.23;-0.75;;;;;DOPC;MDCG;27;1;"MARTINI bead: SNd_SP2";;;;;;;-0.24;;-5.87;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM425316;MM425316;CNC1(COCCN)CC1;YNXXUARUUJVLDI-UHFFFAOYSA-N;144.22;-0.29;;;;;DOPC;MDCG;27;1;"MARTINI bead: SNd_P2";;;;;;;-0.24;;-5.5;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM425317;MM425317;CNC12CC(C1)N(C=O)C2;OIXUTQYPIUNONK-UHFFFAOYSA-N;140.19;-0.42;;;;;DOPC;MDCG;27;1;"MARTINI bead: SNd_SP1";;;;;;;0.04;;-4.64;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM425318;MM425318;CNC1CC1N(C=O)NC;PUPRUXUWBLMHFR-UHFFFAOYSA-N;143.19;-1.06;;;;;DOPC;MDCG;27;1;"MARTINI bead: SNd_P3";;;;;;;-1.1;;-5.33;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM425319;MM425319;C#CC(C=CNC=O)CN;AAGVZNPEIBZLGV-UHFFFAOYSA-N;138.17;-0.55;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_P3";;;;;;;-1.1;;-6.04;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM425320;MM425320;CC(O)C1C(N)C(C)C1N;FBBYGSFDWMRIPP-UHFFFAOYSA-N;144.22;-0.71;;;;;DOPC;MDCG;27;1;"MARTINI bead: SNda_SP2";;;;;;;-0.24;;-5.74;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM425321;MM425321;C=NN1CC2(OC)CC1C2;SKACYVJSCPPLJE-UHFFFAOYSA-N;140.19;0.47;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNa_SP1";;;;;;;0.04;;-2.54;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM425322;MM425322;C#CC#CCCOC=NN;UWSUBWJOWXJFHL-UHFFFAOYSA-N;136.15;-0.07;;;;;DOPC;MDCG;27;0;"MARTINI bead: P3_C2";;;;;;;0.86;;-0.3;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM425323;MM425323;CCCCCC1(OC)CC1;KTERECAKITXTMS-UHFFFAOYSA-N;142.24;2.75;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1_SNa";;;;;;;2.91;;0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM425324;MM425324;C=NN(CC)C1CC1OC;VFHOGLCKYUUEAJ-UHFFFAOYSA-N;142.2;0.71;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_SNa";;;;;;;0.04;;-2.54;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM425325;MM425325;C#CC(C=CNC=N)CO;OZSSSNPDEICOMY-UHFFFAOYSA-N;138.17;-0.06;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nda_P3";;;;;;;-1.1;;-7.64;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM425326;MM425326;CC(N)C1C(C)C(C)N1C;CFCVMMYJZNTAQI-UHFFFAOYSA-N;142.25;0.67;;;;;DOPC;MDCG;27;1;"MARTINI bead: SP1_SP1";;;;;;;-0.79;;-5.46;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM425327;MM425327;COC1(CCCCN)CC1;NZQZSEZDLQYDFJ-UHFFFAOYSA-N;143.23;1.29;;;;;DOPC;MDCG;27;1;"MARTINI bead: SNa_Nd";;;;;;;0.87;;-4.68;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM425328;MM425328;CCC12CC(C1)N(C=N)N2;AWCOHNOGHHGOSA-UHFFFAOYSA-N;139.2;0.72;;;;;DOPC;MDCG;27;1;"MARTINI bead: SC2_SP3";;;;;;;0.86;;-2.29;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM425329;MM425329;CCCC=CCOC=NN;HIQLTEJBHALLCP-UHFFFAOYSA-N;142.2;1.26;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1_P1";;;;;;;2.08;;0.48;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM425330;MM425330;CCC(C#N)C1NC1CC;MYEOPMAMXLFYGF-UHFFFAOYSA-N;138.21;1.29;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNd_N0";;;;;;;1.17;;-1.04;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM425331;MM425331;C#CC(C=CNC=O)CO;XGHHOIOGLCDKCT-UHFFFAOYSA-N;139.15;-0.51;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda_P3";;;;;;;-1.1;;-3.97;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM425332;MM425332;CNCCCC1(OC)CC1;QMQGFLDIIQFRDE-UHFFFAOYSA-N;143.23;1.17;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_SNa";;;;;;;0.87;;-5.01;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM425333;MM425333;CC(=O)C1C(C)C(F)C1C;VCYQMXKFFVQTHY-UHFFFAOYSA-N;144.19;1.82;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC4_SNa";;;;;;;2.2;;0.34;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM425334;MM425334;N=CN1NC2(CN)CC1C2;NQMIEHMLSYYDJP-UHFFFAOYSA-N;140.19;-0.73;;;;;DOPC;MDCG;27;1;"MARTINI bead: SNd_SP3";;;;;;;-1.1;;-6.08;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM425335;MM425335;CCNc1cn(OC)nn1;PBTIRJUYIPHSDC-UHFFFAOYSA-N;142.16;-0.23;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNda_SP1";;;;;;;0.04;;-2.73;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM425336;MM425336;C#CC(C=CNC=N)CF;YBGYWUHVEJEDDP-UHFFFAOYSA-N;140.16;0.92;;;;;DOPC;MDCG;27;1;"MARTINI bead: C5_P3";;;;;;;-0.33;;-5.73;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM425337;MM425337;C=CC(CN)C1NC1CC;LODHZCZRKBVAHK-UHFFFAOYSA-N;140.23;0.5;;;;;DOPC;MDCG;27;1;"MARTINI bead: SNd_Nd";;;;;;;0.87;;-4.55;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM425338;MM425338;CCNCCC1(OC)CC1;NQNTXXMBOOYZRV-UHFFFAOYSA-N;143.23;1.17;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_SNa";;;;;;;0.87;;-4.87;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM425339;MM425339;N=CN1NC2(CO)CC1C2;BWNDUKXWAOZOFX-UHFFFAOYSA-N;141.17;-0.69;;;;;DOPC;MDCG;27;1;"MARTINI bead: SNda_SP3";;;;;;;-1.1;;-6.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM425340;MM425340;CC1C(C(N)=O)C(C)N1C;VDWTZAWMAFHVTL-UHFFFAOYSA-N;142.2;-0.19;;;;;DOPC;MDCG;27;1;"MARTINI bead: SP2_SNd";;;;;;;-0.24;;-4.45;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM425341;MM425341;CCCc1ccn(CC)n1;QUXJLGNIDUAIKB-UHFFFAOYSA-N;138.21;1.86;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC5_SNa";;;;;;;1.64;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM425342;MM425342;CCC1CCC(C)C1O;ARONFJGCAUJCAF-UHFFFAOYSA-N;128.22;1.8;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC1_SNda";;;;;;;2.91;;0.57;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM425343;MM425343;C#CC(C=COC=C)CC;DKMUUMHYLFSVDP-UHFFFAOYSA-N;136.19;2.32;;;;;DOPC;MDCG;27;0;"MARTINI bead: C2_Na";;;;;;;2.83;;0.35;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM425344;MM425344;CCOCCC1(OC)CC1;KLPDRIVKTSKEJD-UHFFFAOYSA-N;144.21;1.59;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_SNa";;;;;;;1.64;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM425345;MM425345;C=C(C)C1C(=O)C(C)C1C;SZETZKUQHHTKPL-UHFFFAOYSA-N;138.21;2.03;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNa_SC3";;;;;;;2.57;;0.45;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM425346;MM425346;C#CC1CC2(CC)CC1C2;BFWNNSHUIAIJRM-UHFFFAOYSA-N;134.22;2.45;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC1_SC4";;;;;;;4.24;;0.42;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM425347;MM425347;CCCc1ccn(NC)n1;QEFPXPGXQCPRRV-UHFFFAOYSA-N;139.2;1.01;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC5_SP1";;;;;;;0.81;;-0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM425348;MM425348;C=CC(CC)C1NC1CN;IVHSMNRJTOMZBL-UHFFFAOYSA-N;140.23;0.5;;;;;DOPC;MDCG;27;1;"MARTINI bead: C1_SP2";;;;;;;1.8;;-0.85;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM425349;MM425349;C#CC(C=COC=O)CC;HQDYARQHSHKUJL-UHFFFAOYSA-N;138.17;1.33;;;;;DOPC;MDCG;27;0;"MARTINI bead: C2_P1";;;;;;;2;;0.29;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM425350;MM425350;CCCNCC1(OC)CC1;DOXDWLCECFRULM-UHFFFAOYSA-N;143.23;1.17;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_SNa";;;;;;;0.87;;-4.56;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM425351;MM425351;CC1C(=O)C(C(=N)N)C1C;VPHTXKOEUUZEOV-UHFFFAOYSA-N;140.19;0.39;;;;;DOPC;MDCG;27;1;"MARTINI bead: SNa_SNd";;;;;;;0.87;;-5.76;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM425352;MM425352;C#CC1CC2(CN)CC1C2;CXSQRPZGSJFBEH-UHFFFAOYSA-N;135.21;0.99;;;;;DOPC;MDCG;27;1;"MARTINI bead: SNd_SC4";;;;;;;2.2;;-1.92;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM425353;MM425353;CCCc1ccn(OC)n1;AGESRPHXRANAOP-UHFFFAOYSA-N;140.19;0.89;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC5_SNa";;;;;;;1.64;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM425354;MM425354;C=CC(CN)C1NC1CN;VXDFXKIMGWXNCX-UHFFFAOYSA-N;141.22;-0.95;;;;;DOPC;MDCG;27;1;"MARTINI bead: SP2_Nd";;;;;;;-0.24;;-5.7;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM425355;MM425355;C#CC(C=COC=C)CN;IYRUPJNAVVSQQM-UHFFFAOYSA-N;137.18;0.87;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_Na";;;;;;;0.87;;-4.31;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM425356;MM425356;COC1(CNCCN)CC1;IMFYNRAQRAPABO-UHFFFAOYSA-N;144.22;-0.29;;;;;DOPC;MDCG;27;1;"MARTINI bead: SNa_P3";;;;;;;-1.1;;-6.49;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM425357;MM425357;C#CC1CC2(CF)CC1C2;WVNABAGARMZHPC-UHFFFAOYSA-N;138.19;2.01;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC4_SC4";;;;;;;3.53;;0.53;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM425358;MM425358;CC1C(=O)C(C(N)=O)C1C;NQZULRWGYMNPQW-UHFFFAOYSA-N;141.17;-0.06;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNa_SNda";;;;;;;0.87;;-1.99;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM425359;MM425359;CCCc1cnn(CC)n1;MKRKFTSJPFDBKV-UHFFFAOYSA-N;139.2;1.25;;;;;DOPC;MDCG;27;0;"MARTINI bead: SN0_SNa";;;;;;;1.17;;-1.18;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM425360;MM425360;C=CC(CO)C1NC1CN;KNXYYTIJSNHLPL-UHFFFAOYSA-N;142.2;-0.92;;;;;DOPC;MDCG;27;1;"MARTINI bead: SP2_Nda";;;;;;;-0.24;;-5.25;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM425361;MM425361;C#CC(C=COC=O)CF;RIRRYWSQRFSBHE-UHFFFAOYSA-N;142.13;0.89;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_P1";;;;;;;0.81;;-0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM425362;MM425362;COC1(CNCCO)CC1;IJZWNXFVJCNSKF-UHFFFAOYSA-N;145.2;-0.25;;;;;DOPC;MDCG;27;1;"MARTINI bead: SNa_P2";;;;;;;-0.24;;-5.19;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM425363;MM425363;C#CC1CC2(NC)CC1C2;BNOXMFVKBGSSSW-UHFFFAOYSA-N;135.21;1.01;;;;;DOPC;MDCG;27;1;"MARTINI bead: SNd_SC4";;;;;;;2.2;;-2.46;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM425364;MM425364;C=C(C)C1C(=O)C(C)C1O;UWJPDLCUEIKJSH-UHFFFAOYSA-N;140.18;0.76;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP2_SC3";;;;;;;1.46;;-0.15;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM425365;MM425365;CCCc1ncn(CC)n1;IHBMSABCAGYNQN-UHFFFAOYSA-N;139.2;1.25;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNa_SP1";;;;;;;0.04;;-2.54;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM425366;MM425366;CON=CC(C#N)CF;LJGWDRAKMHRUOC-UHFFFAOYSA-N;130.12;0.73;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_Na";;;;;;;0.87;;-2.22;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM425367;MM425367;C#CC1CC2(OC)CC1C2;XXAUENVCMYYQCW-UHFFFAOYSA-N;136.19;1.43;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC5_SC4";;;;;;;2.97;;0.45;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM425368;MM425368;CCCOCC1(OC)CC1;FFWPRWZRNSZRIT-UHFFFAOYSA-N;144.21;1.59;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_SNa";;;;;;;0.87;;-2.22;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM425369;MM425369;C#CC(C=CCC=C)NC;QUNFNEQGBOFWQZ-UHFFFAOYSA-N;135.21;1.34;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1_C3";;;;;;;1.74;;-0.53;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM425370;MM425370;CC(C)n1onc(N)c1=N;SQBOSHAJXXALDF-UHFFFAOYSA-N;142.16;0.12;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP1_SP1";;;;;;;-0.79;;-3.13;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM425371;MM425371;CCCc1ncn(NC)n1;PNABXHDDFQAHPE-UHFFFAOYSA-N;140.19;0.4;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNa_SP2";;;;;;;-0.24;;-3.24;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM425372;MM425372;C#CC1NC2(CC)CC1C2;OAODKCTXEGFZNS-UHFFFAOYSA-N;135.21;1.15;;;;;DOPC;MDCG;27;1;"MARTINI bead: SNd_SP1";;;;;;;0.04;;-5.28;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM425373;MM425373;C=CC(CC)C1NC1CF;ISPNOQMHVQBXIN-UHFFFAOYSA-N;143.21;1.51;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1_SP1";;;;;;;2.08;;0.53;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM425374;MM425374;C#CC(C=CCC=C)OC;DBPNZGBSEFTCIX-UHFFFAOYSA-N;136.19;1.77;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_C3";;;;;;;2.57;;0.45;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM425375;MM425375;COC1(COCCN)CC1;QSAWXOWXJBLUHO-UHFFFAOYSA-N;145.2;0.14;;;;;DOPC;MDCG;27;1;"MARTINI bead: SNa_P2";;;;;;;-0.24;;-5.28;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM425376;MM425376;CC(C)n1onc(N)c1=O;XGKHUZYDRQBWEC-UHFFFAOYSA-N;143.15;;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP1_SP1";;;;;;;-0.79;;-3.13;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM425377;MM425377;CCCc1ncn(OC)n1;JLXNSJOOCCZKAH-UHFFFAOYSA-N;141.17;0.29;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNa_SP1";;;;;;;0.04;;-2.54;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM425378;MM425378;C#CC1CC2(CN)CN1C2;GGOGHNJUNQCPDL-UHFFFAOYSA-N;136.2;-0.35;;;;;DOPC;MDCG;27;1;"MARTINI bead: SP2_SNd";;;;;;;-0.24;;-5.28;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM425379;MM425379;CCC(C#N)C1NC1CF;VXYYEASCROJPFK-UHFFFAOYSA-N;142.18;0.85;;;;;DOPC;MDCG;27;0;"MARTINI bead: N0_SP1";;;;;;;0.34;;-1.53;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM425380;MM425380;C#CC(C=COC=C)OC;NZZQQFJVIPAZHJ-UHFFFAOYSA-N;138.17;1.31;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_Na";;;;;;;0.87;;-2.22;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM425381;MM425381;COCOCC1(OC)CC1;OTJSSZUOSUBLSQ-UHFFFAOYSA-N;146.19;0.79;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_SNa";;;;;;;0.04;;-2.54;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM425382;MM425382;CC(C)=NOC(=O)C(=O)O;PGXADSWDEBNRNY-UHFFFAOYSA-N;145.11;0.01;;;;;DOPC;MDCG;27;0;"MARTINI bead: N0_P1";;;;;;;0.34;;-6.6;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM425383;MM425383;C=CC(CN)C1NC1CF;KLNDFKVYDTXQDJ-UHFFFAOYSA-N;144.19;0.06;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_SP1";;;;;;;0.04;;-5.05;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM425384;MM425384;COCC=CCOC=NN;VSLWLFSIPQZZBC-UHFFFAOYSA-N;144.17;0.11;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_Nda";;;;;;;0.87;;-1.99;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM425385;MM425385;C#CC(C=NNC=O)CC;HFYGANLNXGJCPW-UHFFFAOYSA-N;138.17;0.38;;;;;DOPC;MDCG;27;0;"MARTINI bead: C2_P4";;;;;;;0.77;;-0.87;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM425386;MM425386;C#CC1CC2(NC)CN1C2;NAZXOLDJNICEKU-UHFFFAOYSA-N;136.2;-0.33;;;;;DOPC;MDCG;27;1;"MARTINI bead: SP2_SNd";;;;;;;-0.24;;-4.99;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM425387;MM425387;CCCCNC1(CC)CC1;HHLINOSBFXRWDX-UHFFFAOYSA-N;141.26;2.32;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_SC3";;;;;;;2.57;;-1.82;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM425388;MM425388;CN(C)n1onc(N)c1=N;BBUQNDNYDREBRL-UHFFFAOYSA-N;143.15;-1.26;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP2_SP1";;;;;;;-1.06;;-3.82;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM425389;MM425389;CCCc1nnn(CC)n1;BWGFYMMZJANKPD-UHFFFAOYSA-N;140.19;0.65;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNa_SP1";;;;;;;0.04;;-2.54;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM425390;MM425390;C=CC(NC)C1NC1CC;NKUQHPFCYSSSOD-UHFFFAOYSA-N;140.23;0.51;;;;;DOPC;MDCG;27;1;"MARTINI bead: SNd_Nd";;;;;;;0.87;;-3.64;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM425391;MM425391;C#CC(C=NOC=O)CC;SNVJWLXHCLBQSH-UHFFFAOYSA-N;139.15;0.8;;;;;DOPC;MDCG;27;0;"MARTINI bead: C3_P1";;;;;;;1.74;;0.29;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM425392;MM425392;C=CC12CC(CC)C(C1)C2;MSBKJCFASIOXSX-UHFFFAOYSA-N;136.24;3;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC1_SC3";;;;;;;4.61;;0.31;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM425393;MM425393;CCC1(NCCCN)CC1;WUCRJVYGBDMUFH-UHFFFAOYSA-N;142.25;0.87;;;;;DOPC;MDCG;27;1;"MARTINI bead: SC3_P3";;;;;;;0.6;;-3.59;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM425394;MM425394;CC=C1CCC(C)(O)C1;ANFWCJUDBSZZAR-UHFFFAOYSA-N;126.2;1.87;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC1_SNda";;;;;;;2.91;;0.57;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM425395;MM425395;C=CCC1=CC(CC)C=C1;LSPAWMXSULXQTH-UHFFFAOYSA-N;134.22;3.08;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC3_SC4";;;;;;;3.9;;0.47;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM425396;MM425396;CCC1NC1C(C#N)NC;YKQMROGAZOQPRS-UHFFFAOYSA-N;139.2;-0.15;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNd_P2";;;;;;;-0.24;;-3.16;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM425397;MM425397;C#CC(C=NOC=O)CN;CCQHHHBDNMGOAA-UHFFFAOYSA-N;140.14;-0.65;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_P2";;;;;;;-0.24;;-5.23;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM425398;MM425398;C=CC12CC(C1)C(NC)C2;AYQHCZQRASYHOQ-UHFFFAOYSA-N;137.23;1.56;;;;;DOPC;MDCG;27;1;"MARTINI bead: SNd_SC3";;;;;;;2.57;;-2;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM425399;MM425399;CCC1(NCCCO)CC1;RZLSVFGEECTMLA-UHFFFAOYSA-N;143.23;0.9;;;;;DOPC;MDCG;27;1;"MARTINI bead: SC3_P2";;;;;;;1.46;;-2.6;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM425400;MM425400;N#CCC(C=NO)C(=O)O;UMWZDUIVHKBQSC-UHFFFAOYSA-N;142.11;0.06;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_P1";;;;;;;-0.79;;-8.22;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM425401;MM425401;C=CC(NC)C1NC1CN;ZTXUMGKUCIVBIO-UHFFFAOYSA-N;141.22;-0.94;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_SP2";;;;;;;-0.24;;-5.24;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM425402;MM425402;CCC1C=CC(CC=O)=C1;ISRYMBRNFINOPH-UHFFFAOYSA-N;136.19;2.1;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC3_SNa";;;;;;;2.57;;0.45;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM425403;MM425403;C#CC(C=NOC=O)CF;BOBCKXJKWMIMIA-UHFFFAOYSA-N;143.12;0.36;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_P2";;;;;;;0.54;;-1.09;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM425404;MM425404;CCCCNC1(CN)CC1;LJDITEMZOBPTMS-UHFFFAOYSA-N;142.25;0.87;;;;;DOPC;MDCG;27;1;"MARTINI bead: C1_SP2";;;;;;;1.8;;-1.51;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM425405;MM425405;CCC1NC2(C=O)CC1C2;KJTXNGTVGRLDCN-UHFFFAOYSA-N;139.2;0.72;;;;;DOPC;MDCG;27;1;"MARTINI bead: SN0_SP1";;;;;;;0.34;;-3.47;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM425406;MM425406;C=CC(NC)C1NC1CF;RKTBDMYJNYXPCK-UHFFFAOYSA-N;144.19;0.07;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_SP1";;;;;;;0.04;;-4.15;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM425407;MM425407;C=C(C)n1onc(N)c1=N;NNUONTTXELLASB-UHFFFAOYSA-N;140.15;0.03;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP1_SP1";;;;;;;-0.79;;-3.13;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM425408;MM425408;CCC1C=CC(CC#N)=C1;MMTJKOHIMSEMKN-UHFFFAOYSA-N;133.19;2.42;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC3_SC5";;;;;;;3.34;;0.48;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM425409;MM425409;C#CC(CC)N=CNC=C;FVYCFWKGHRWRHC-UHFFFAOYSA-N;136.2;1.16;;;;;DOPC;MDCG;27;1;"MARTINI bead: C3_P2";;;;;;;1.46;;-1.35;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM425410;MM425410;NCCCNC1(CN)CC1;LXPBTVSUAMJCGN-UHFFFAOYSA-N;143.23;-0.58;;;;;DOPC;MDCG;27;1;"MARTINI bead: P3_SNd";;;;;;;-1.1;;-6.55;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM425411;MM425411;CCC1NC1C(C#N)OC;ZWOKDDAPWBIYTB-UHFFFAOYSA-N;140.19;0.28;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNd_P1";;;;;;;0.04;;-2.63;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM425412;MM425412;C=CC12CC(CC)N(C1)C2;DMOHIGURQVJOJY-UHFFFAOYSA-N;137.23;1.66;;;;;DOPC;MDCG;27;1;"MARTINI bead: SNd_SP1";;;;;;;0.04;;-3.83;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM425413;MM425413;C=CCC1=CC(CN)C=C1;NURZPIXNMWIJQJ-UHFFFAOYSA-N;135.21;1.63;;;;;DOPC;MDCG;27;1;"MARTINI bead: SNd_SC4";;;;;;;2.2;;-2.15;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM425414;MM425414;CC(=N)n1onc(N)c1=N;KDDQRMBBNNJEOG-UHFFFAOYSA-N;141.13;-0.62;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP2_SP1";;;;;;;-1.06;;-3.82;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM425415;MM425415;C#CC(CN)N=CNC=C;ZDDJPRMUXSWHCE-UHFFFAOYSA-N;137.19;-0.29;;;;;DOPC;MDCG;27;1;"MARTINI bead: P3_Nd";;;;;;;-1.1;;-5.03;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM425416;MM425416;NCC1(NCCCO)CC1;UWVJUNWHONUNGD-UHFFFAOYSA-N;144.22;-0.55;;;;;DOPC;MDCG;27;1;"MARTINI bead: SP2_Nda";;;;;;;-0.24;;-5.61;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM425417;MM425417;C=CC12CC(CN)N(C1)C2;FSYQYPQMKUDYOK-UHFFFAOYSA-N;138.21;0.21;;;;;DOPC;MDCG;27;1;"MARTINI bead: SP1_SP1";;;;;;;-0.79;;-5.13;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM425418;MM425418;C=CC(OC)C1NC1CN;ONDDGHOONAHMQZ-UHFFFAOYSA-N;142.2;-0.51;;;;;DOPC;MDCG;27;1;"MARTINI bead: Na_SP2";;;;;;;-0.24;;-5.18;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM425419;MM425419;CC(=O)n1onc(N)c1=N;WOIGQYBLZKKJFP-UHFFFAOYSA-N;142.12;-0.8;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP2_SP1";;;;;;;-1.06;;-3.82;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM425420;MM425420;C=CCC1=CC(CO)C=C1;XLSNCNVAJAQBLK-UHFFFAOYSA-N;136.19;1.67;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNda_SC4";;;;;;;2.2;;0.49;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM425421;MM425421;NCC1(NCCCF)CC1;KBTNZWYGGORPJS-UHFFFAOYSA-N;146.21;0.43;;;;;DOPC;MDCG;27;1;"MARTINI bead: SNd_P1";;;;;;;0.04;;-5.02;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM425422;MM425422;C#CCC=CC(C#C)CC;CXKTXNOSTJGKRZ-UHFFFAOYSA-N;132.21;2.23;;;;;DOPC;MDCG;27;0;"MARTINI bead: C3_C5";;;;;;;3.34;;0.48;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM425423;MM425423;C=CC12CC(C1)C(C#N)N2;BNCCRERZWWWRNK-UHFFFAOYSA-N;134.18;0.82;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNd_SP1";;;;;;;0.04;;-2.63;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM425424;MM425424;C=NN=C(C)NC(C)(C)C;FWZJFHJZYLJBJK-UHFFFAOYSA-N;141.22;1.41;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nd_C5";;;;;;;1.64;;0.02;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM425425;MM425425;O=CCC1=CC(CO)C=C1;ADVOSNSMVDWZPB-UHFFFAOYSA-N;138.17;0.68;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNda_SNa";;;;;;;0.87;;-1.99;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM425426;MM425426;C=NN(C=N)C(=N)C(C)=O;CUBTVQMOXXPMFQ-UHFFFAOYSA-N;140.15;0.08;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_P2";;;;;;;-0.24;;-3.24;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM425427;MM425427;N=c1c(N)non1C(N)=O;WJSGZNSRNFRWMM-UHFFFAOYSA-N;143.11;-1.54;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP3_SP1";;;;;;;-1.93;;-4.72;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM425428;MM425428;CCCCNC1(CO)CC1;VPEFTHSMXGAQCT-UHFFFAOYSA-N;143.23;0.9;;;;;DOPC;MDCG;27;1;"MARTINI bead: C1_SP2";;;;;;;1.8;;-1.26;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM425429;MM425429;C=CC12CC(C1)N(C=N)C2;OASAULBJGLRCSG-UHFFFAOYSA-N;136.2;1.24;;;;;DOPC;MDCG;27;1;"MARTINI bead: SC4_SP1";;;;;;;1.37;;-3.64;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM425430;MM425430;CN=c1c(=O)o[nH]n1O;LTUKYOYXPVAZFS-UHFFFAOYSA-N;131.09;-1.46;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP2_SP2";;;;;;;-1.34;;-9.21;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM425431;MM425431;C=CC(CN)C1OC1CC;QYTLATUFJXWYHH-UHFFFAOYSA-N;141.21;0.92;;;;;DOPC;MDCG;27;1;"MARTINI bead: SNa_Nd";;;;;;;0.87;;-4.57;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM425432;MM425432;C#CCC=CC(C#C)CF;QCBDMJQQMYFWJE-UHFFFAOYSA-N;136.17;1.78;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_C5";;;;;;;1.64;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM425433;MM425433;N#CCC1=CC(CO)C=C1;CZENWFCSPGYGPG-UHFFFAOYSA-N;135.17;1;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNda_SC5";;;;;;;1.64;;0.05;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM425434;MM425434;NCCCNC1(CO)CC1;ZUFMRYVQOLBIDI-UHFFFAOYSA-N;144.22;-0.55;;;;;DOPC;MDCG;27;1;"MARTINI bead: P3_SNda";;;;;;;-1.1;;-6.51;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM425435;MM425435;C=C(C)n1onc(N)c1=O;ATNBHRCYYURJMC-UHFFFAOYSA-N;141.13;-0.09;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP1_SP1";;;;;;;-0.79;;-3.13;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM425436;MM425436;C=CC(CO)C1OC1CC;KIHFWFGUMCKEEJ-UHFFFAOYSA-N;142.2;0.96;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNa_Nda";;;;;;;0.87;;-1.99;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM425437;MM425437;N=CN1CC2(C=O)CC1C2;WZWQHOMYMKMOOC-UHFFFAOYSA-N;138.17;0.26;;;;;DOPC;MDCG;27;1;"MARTINI bead: SP1_SNa";;;;;;;0.04;;-6.16;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM425438;MM425438;C#CCC=CC(C#C)OC;HJFIOXUNZLZHRI-UHFFFAOYSA-N;134.18;1.21;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_C5";;;;;;;1.64;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM425439;MM425439;C=CCC1=CC(CF)C=C1;ZWURHNBXMKBHBY-UHFFFAOYSA-N;138.19;2.64;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC5_SC4";;;;;;;2.97;;0.45;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM425440;MM425440;OCCCNC1(CO)CC1;NXUXVMZAUJOBMH-UHFFFAOYSA-N;145.2;-0.52;;;;;DOPC;MDCG;27;1;"MARTINI bead: P2_SNda";;;;;;;-0.24;;-5.17;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM425441;MM425441;N#CC12CC(C1)N(C=N)C2;RGFVCEQRXQDWOW-UHFFFAOYSA-N;135.17;0.58;;;;;DOPC;MDCG;27;1;"MARTINI bead: SP1_SN0";;;;;;;0.34;;-5;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM425442;MM425442;C=NN(C)C(=N)C(C)=O;NIDDHJCWBYPLBR-UHFFFAOYSA-N;127.15;0.1;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_Na";;;;;;;-0.24;;-3.24;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM425443;MM425443;CCC1OC1C(C#N)CO;FCPKWKLUIPXOIB-UHFFFAOYSA-N;141.17;0.3;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNa_P2";;;;;;;-0.24;;-3.24;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM425444;MM425444;C=CC(C=C)C=CCCC;NCASHNQWIKIPRY-UHFFFAOYSA-N;136.24;3.33;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1_C2";;;;;;;4.87;;0.53;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM425445;MM425445;N#CCC1=CC(CF)C=C1;RZMDLSRVAIFYKL-UHFFFAOYSA-N;137.16;1.98;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC5_SC5";;;;;;;2.41;;0.64;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM425446;MM425446;CCCCNC1(CF)CC1;HCBDLXKBRJBUDN-UHFFFAOYSA-N;145.22;1.88;;;;;DOPC;MDCG;27;1;"MARTINI bead: C1_SP1";;;;;;;2.08;;0.05;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM425447;MM425447;CC(=O)n1onc(N)c1=O;CVDLTLBPZCKYOM-UHFFFAOYSA-N;143.1;-0.92;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP2_SP1";;;;;;;-1.06;;-3.82;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM425448;MM425448;C=CC(CF)C1OC1CC;FWCMMBJJTATEDH-UHFFFAOYSA-N;144.19;1.94;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNa_C5";;;;;;;1.64;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM425449;MM425449;O=CN1CC2(C=O)CC1C2;YRGRZUPFVUUPEP-UHFFFAOYSA-N;139.15;-0.19;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP1_SNa";;;;;;;0.04;;-2.54;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM425450;MM425450;C=CC(C=C)C=CCCN;LBNFXPPBXFYYFK-UHFFFAOYSA-N;137.23;1.88;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_C2";;;;;;;2.83;;-0.71;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM425451;MM425451;C=CCC1=CC(NC)C=C1;NQBJPRKSWLFPKS-UHFFFAOYSA-N;135.21;1.65;;;;;DOPC;MDCG;27;1;"MARTINI bead: SNd_SC4";;;;;;;2.2;;-1.02;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM425452;MM425452;NCCCNC1(CF)CC1;VAKOMNMXZLHKDW-UHFFFAOYSA-N;146.21;0.43;;;;;DOPC;MDCG;27;1;"MARTINI bead: P3_SC5";;;;;;;-0.33;;-4.44;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM425453;MM425453;N#CC12CC(C1)N(C=O)C2;CIUUDWSRCQUQLA-UHFFFAOYSA-N;136.15;0.13;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP1_SN0";;;;;;;0.34;;-1.53;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM425454;MM425454;CC(=O)C(=N)NOC=O;ONEDENBZZNLNKO-UHFFFAOYSA-N;130.1;-0.77;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_P2";;;;;;;-1.34;;-4.31;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM425455;MM425455;CCC1OC1C(C=O)CF;IKZAKQIDRCLLDC-UHFFFAOYSA-N;146.16;0.95;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNa_P1";;;;;;;0.04;;-2.54;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM425456;MM425456;CNC1C=CC(CC#N)=C1;UPFSQXMWJPHBOZ-UHFFFAOYSA-N;134.18;0.98;;;;;DOPC;MDCG;27;1;"MARTINI bead: SNd_SC5";;;;;;;1.64;;-1.49;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM425457;MM425457;C=CC(C=C)C=CCCO;QAJZOQKRDFDTND-UHFFFAOYSA-N;138.21;1.91;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda_C1";;;;;;;2.91;;0.57;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM425458;MM425458;CCC1(NCCNC)CC1;NXPCVSVQPLRIMC-UHFFFAOYSA-N;142.25;0.74;;;;;DOPC;MDCG;27;1;"MARTINI bead: SC3_P3";;;;;;;0.6;;-3.15;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM425459;MM425459;C=CC12CC(C1)N(N=C)C2;LTSSBTSJVLMGOJ-UHFFFAOYSA-N;136.2;1.25;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC4_SP1";;;;;;;1.37;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM425460;MM425460;CCC1OC1C(C#N)CF;KCANAIFSLCHLDW-UHFFFAOYSA-N;143.16;1.27;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNa_Na";;;;;;;0.87;;-2.22;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM425461;MM425461;NC(=O)n1onc(N)c1=O;ZAAYQBZYFSHFPN-UHFFFAOYSA-N;144.09;-1.65;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP3_SP1";;;;;;;-1.93;;-4.72;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM425462;MM425462;C=CC(C=C)C=CCCF;ORQILVNGGMEHEN-UHFFFAOYSA-N;140.2;2.89;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4_C1";;;;;;;4.24;;0.42;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM425463;MM425463;C=CCC1=CC(OC)C=C1;CVCAJGAFQSTHSG-UHFFFAOYSA-N;136.19;2.07;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNa_SC4";;;;;;;2.2;;0.34;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM425464;MM425464;CNCCNC1(CN)CC1;XPYRMUGPLKQGOC-UHFFFAOYSA-N;143.23;-0.71;;;;;DOPC;MDCG;27;1;"MARTINI bead: P3_SNd";;;;;;;-1.1;;-6.32;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM425465;MM425465;C=NN1CC2(C#N)CC1C2;KAGSXNYPKUUDSS-UHFFFAOYSA-N;135.17;0.59;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP1_SN0";;;;;;;0.34;;-1.53;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM425466;MM425466;C=CC(CC)C1OC1CN;FEALDZOEGLKOOV-UHFFFAOYSA-N;141.21;0.92;;;;;DOPC;MDCG;27;1;"MARTINI bead: C1_SP2";;;;;;;1.8;;-0.89;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM425467;MM425467;CN(CC(=O)O)C(=N)C#N;FRAIAOXZRGHHOC-UHFFFAOYSA-N;141.13;-0.5;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_P1";;;;;;;-0.79;;-8.22;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM425468;MM425468;C=CC(C=O)C=CCCC;BQHPCCIDLGIJCQ-UHFFFAOYSA-N;138.21;2.34;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1_Na";;;;;;;2.91;;0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM425469;MM425469;COC1C=CC(CC#N)=C1;UNMAGEPCSVIABQ-UHFFFAOYSA-N;135.17;1.41;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNa_SC5";;;;;;;1.64;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM425470;MM425470;CNCCNC1(CO)CC1;BKRZLAOWRIFJQD-UHFFFAOYSA-N;144.22;-0.68;;;;;DOPC;MDCG;27;1;"MARTINI bead: P3_SNda";;;;;;;-1.1;;-6.16;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM425471;MM425471;C#CC1CC2(C=O)CC1C2;RWKRXOSZDYMSHL-UHFFFAOYSA-N;134.18;1.23;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNa_SC4";;;;;;;2.2;;0.34;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM425472;MM425472;C=CC(CC)C1OC1CO;FGYBHQGCJNNTTA-UHFFFAOYSA-N;142.2;0.96;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1_SP2";;;;;;;1.8;;0.4;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM425473;MM425473;N#CC(O)(CO)CC(=O)O;NWGBQVGLYSKYIY-UHFFFAOYSA-N;145.11;-1.29;;;;;DOPC;MDCG;27;0;"MARTINI bead: P4_P1";;;;;;;-2.01;;-9.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM425474;MM425474;C=CC(C#N)C=CCCC;APOJOJUSGLBCIJ-UHFFFAOYSA-N;135.21;2.67;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1_N0";;;;;;;3.21;;0.46;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM425475;MM425475;CNCCNC1(CF)CC1;ITCSFSUJZUNHGJ-UHFFFAOYSA-N;146.21;0.3;;;;;DOPC;MDCG;27;1;"MARTINI bead: P3_SC5";;;;;;;-0.33;;-4.14;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM425476;MM425476;C#CC1NC2(C=C)CC1C2;FUYZCFUPJIZTIN-UHFFFAOYSA-N;133.19;0.93;;;;;DOPC;MDCG;27;1;"MARTINI bead: SNd_SP1";;;;;;;0.04;;-4.48;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM425477;MM425477;CCC1C=CC(NC=N)=C1;ACMREMIJXUWLGM-UHFFFAOYSA-N;136.2;1.66;;;;;DOPC;MDCG;27;1;"MARTINI bead: SC3_SNd";;;;;;;2.57;;-2.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM425478;MM425478;CCC(C=O)C1OC1CO;NEOSDSNZBGMYHX-UHFFFAOYSA-N;144.17;-0.03;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_SP2";;;;;;;0.54;;-1.09;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM425479;MM425479;Cc1non(C(=O)O)c1=O;XDZAXZIALKKLIF-UHFFFAOYSA-N;144.09;-0.33;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNa_SP4";;;;;;;-1.19;;-8.64;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM425480;MM425480;C=CC(C=O)C=CCCO;CDDNCEVRKMEVGM-UHFFFAOYSA-N;140.18;0.93;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda_Na";;;;;;;0.87;;-1.99;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM425481;MM425481;CCCCOC1(CC)CC1;YSXHANANSRZPSQ-UHFFFAOYSA-N;142.24;2.75;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_SC3";;;;;;;2.57;;0.45;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM425482;MM425482;C#CC1NC2(C#N)CC1C2;CPLJHYGPKKUVNM-UHFFFAOYSA-N;132.17;0.26;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP1_SP1";;;;;;;-0.79;;-3.13;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM425483;MM425483;N=CNC1=CC(CN)C=C1;JSKZVSFNMJMDCQ-UHFFFAOYSA-N;137.19;0.21;;;;;DOPC;MDCG;27;1;"MARTINI bead: SNd_SNd";;;;;;;0.87;;-5.5;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM425484;MM425484;CCC(C#N)C1OC1CO;JMICVXBJKBXAGW-UHFFFAOYSA-N;141.17;0.3;;;;;DOPC;MDCG;27;0;"MARTINI bead: N0_SP2";;;;;;;0.06;;-2.21;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM425485;MM425485;C#CCOC(=NO)C(F)F;DGBPORDZWLNIIO-UHFFFAOYSA-N;149.1;0.69;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda_N0";;;;;;;1.17;;-6.25;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM425486;MM425486;CCC1(OCCCN)CC1;FEJYPGVGHTUDCO-UHFFFAOYSA-N;143.23;1.29;;;;;DOPC;MDCG;27;1;"MARTINI bead: SC3_P2";;;;;;;1.46;;-2.74;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM425487;MM425487;C=CC(C=O)C=CCCF;GZPLAKADPRLKEH-UHFFFAOYSA-N;142.17;1.9;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4_Na";;;;;;;2.2;;0.34;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM425488;MM425488;C#CC1OC2(C=C)CC1C2;WBBJMKWACWERTE-UHFFFAOYSA-N;134.18;1.35;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNa_SN0";;;;;;;1.17;;-1.18;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM425489;MM425489;NCC1C=CC(NC=O)=C1;URJRKZNGUGVCSF-UHFFFAOYSA-N;138.17;-0.24;;;;;DOPC;MDCG;27;1;"MARTINI bead: SNd_SNda";;;;;;;0.87;;-4.35;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM425490;MM425490;C=CC(CN)C1OC1CO;VDOFLOCWWFWRDW-UHFFFAOYSA-N;143.19;-0.49;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_SP2";;;;;;;-0.24;;-5.84;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM425491;MM425491;O=c1nc(CO)c(O)no1;ZNKKATMNHHZXQA-UHFFFAOYSA-N;144.09;-1.37;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP3_SP3";;;;;;;-3.07;;-10.24;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM425492;MM425492;C=CC(C#N)C=CCCF;DUSDUOCEOYXEFO-UHFFFAOYSA-N;139.17;2.23;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4_C5";;;;;;;2.97;;0.45;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM425493;MM425493;CCC1(OCCCO)CC1;BWWZCVZKYCCKGG-UHFFFAOYSA-N;144.21;1.33;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC3_P3";;;;;;;0.6;;-0.8;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM425494;MM425494;C#CC1CC2(C=C)CC1N2;GCQXNQIMYIAPCM-UHFFFAOYSA-N;133.19;0.93;;;;;DOPC;MDCG;27;1;"MARTINI bead: SNd_SC4";;;;;;;2.2;;-1.37;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM425495;MM425495;N=CNC1=CC(CO)C=C1;GNHVJURNDSUQGV-UHFFFAOYSA-N;138.17;0.25;;;;;DOPC;MDCG;27;1;"MARTINI bead: SNda_SNd";;;;;;;0.87;;-5.24;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM425496;MM425496;CCC(C=O)C1OC1CF;LFXNWXQOMAOEEC-UHFFFAOYSA-N;146.16;0.95;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_SNa";;;;;;;1.64;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM425497;MM425497;C=NOC(=NN)C(=C)F;KROCAWDWYIPHIU-UHFFFAOYSA-N;131.11;0.37;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_C5";;;;;;;0.81;;-0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM425498;MM425498;CCCC=CC(C=O)C=O;LCNFLPKAUHYBDK-UHFFFAOYSA-N;140.18;1.36;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1_Na";;;;;;;2.91;;0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM425499;MM425499;C#CC12CC(C1)C(C=C)N2;RWTCFXKTCZIVGX-UHFFFAOYSA-N;133.19;0.93;;;;;DOPC;MDCG;27;1;"MARTINI bead: SN0_SNd";;;;;;;1.17;;-2.89;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM425500;MM425500;CCC1(OCCCF)CC1;AVIFWQCJCAMBIQ-UHFFFAOYSA-N;146.21;2.31;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC3_P1";;;;;;;1.74;;0.29;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM425501;MM425501;N=CNC1=CC(CF)C=C1;YJPCHVGUPFFQRV-UHFFFAOYSA-N;140.16;1.22;;;;;DOPC;MDCG;27;1;"MARTINI bead: SC5_SNd";;;;;;;1.64;;-3.23;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM425502;MM425502;CCC(C#N)C1OC1CF;ATACYABODINFHI-UHFFFAOYSA-N;143.16;1.27;;;;;DOPC;MDCG;27;0;"MARTINI bead: N0_SNa";;;;;;;1.17;;-1.18;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM425503;MM425503;N=c1nnc(N)c(F)o1;XMSQHBOLFCAFPJ-UHFFFAOYSA-N;130.08;-0.73;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP3_SP2";;;;;;;-2.2;;-5.19;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM425504;MM425504;CCCC=CC(C#N)C#N;XWZOVSWYQTZRLS-UHFFFAOYSA-N;134.18;2.01;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1_P2";;;;;;;1.8;;0.4;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM425505;MM425505;CCCCOC1(CN)CC1;XRFGWPANGSWACQ-UHFFFAOYSA-N;143.23;1.29;;;;;DOPC;MDCG;27;1;"MARTINI bead: Na_SNd";;;;;;;0.87;;-4.01;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM425506;MM425506;C#CC12CC(C1)N(C=N)C2;OVJYNYUDZMZHSY-UHFFFAOYSA-N;134.18;0.69;;;;;DOPC;MDCG;27;1;"MARTINI bead: SP1_SC5";;;;;;;0.81;;-3.99;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM425507;MM425507;O=CNC1=CC(CF)C=C1;RIXLCYYZWNUOLO-UHFFFAOYSA-N;141.15;0.77;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC5_SNda";;;;;;;1.64;;0.05;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM425508;MM425508;C=CC(NC)C1OC1CC;NWUAQSHLBSTEDD-UHFFFAOYSA-N;141.21;0.94;;;;;DOPC;MDCG;27;1;"MARTINI bead: SNa_Nd";;;;;;;0.87;;-3.5;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM425509;MM425509;CC(C)n1ncn(C)c1=O;SNAZKRPZOGYSTN-UHFFFAOYSA-N;141.17;0.16;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP2_SP2";;;;;;;-1.34;;-4.31;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM425510;MM425510;O=CC(C=O)C=CCCO;YBYDHPKKTIPSMX-UHFFFAOYSA-N;142.15;-0.06;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_Na";;;;;;;0.04;;-2.54;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM425511;MM425511;CCCCOC1(CO)CC1;ROKMXGYMVZRJFH-UHFFFAOYSA-N;144.21;1.33;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_SNda";;;;;;;0.87;;-1.99;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM425512;MM425512;C#CC12CC(C1)N(N=C)C2;CLXOYPWAOPQHAT-UHFFFAOYSA-N;134.18;0.7;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP1_SC5";;;;;;;0.81;;-0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM425513;MM425513;CNC1C=CC(NC=N)=C1;GWVGOXUOMIYPSR-UHFFFAOYSA-N;137.19;0.22;;;;;DOPC;MDCG;27;1;"MARTINI bead: SNd_SNd";;;;;;;0.87;;-5.34;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM425514;MM425514;C=CC(NC)C1OC1CF;RUMGHTJOFQFQPP-UHFFFAOYSA-N;145.18;0.5;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_SNa";;;;;;;0.87;;-3.5;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM425515;MM425515;CC(C)n1ncn(N)c1=O;XQFQGVNMTNDALW-UHFFFAOYSA-N;142.16;-0.66;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP2_SP2";;;;;;;-1.34;;-4.31;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM425516;MM425516;N#CC(C#N)C=CCCO;RKYWFLVKEJANBT-UHFFFAOYSA-N;136.15;0.59;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda_P1";;;;;;;0.04;;-2.73;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM425517;MM425517;NCCCOC1(CO)CC1;HOMCLMCXGHNUBT-UHFFFAOYSA-N;145.2;-0.12;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_SP2";;;;;;;-0.24;;-5.88;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM425518;MM425518;CNC1C=CC(NC=O)=C1;NBHLGHGIRIJUSP-UHFFFAOYSA-N;138.17;-0.23;;;;;DOPC;MDCG;27;1;"MARTINI bead: SNd_SNda";;;;;;;0.87;;-3.24;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM425519;MM425519;C#CC1CC2(C#C)CC1N2;RKMXBUOYBRWCDS-UHFFFAOYSA-N;131.18;0.37;;;;;DOPC;MDCG;27;1;"MARTINI bead: SC4_SNd";;;;;;;2.2;;-0.81;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM425520;MM425520;C#CC(=N)NC(=O)C(=O)O;UUORSIJHNJGEHV-UHFFFAOYSA-N;140.1;-1.2;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_P2";;;;;;;-1.34;;-9.22;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM425521;MM425521;COC(C#N)C1OC1CO;TXDSCMVPNVEXFW-UHFFFAOYSA-N;143.14;-0.72;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_SP2";;;;;;;-1.06;;-3.82;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM425522;MM425522;C=CC(C=C)C=CCNC;QSUSFCPITMRFHZ-UHFFFAOYSA-N;137.23;1.75;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1_C1";;;;;;;2.08;;-0.73;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM425523;MM425523;CCCCOC1(CF)CC1;UYJOVGCVOYMRGE-UHFFFAOYSA-N;146.21;2.31;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_SC5";;;;;;;1.64;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM425524;MM425524;CC=C1CC2(CC)CC1C2;KESSMFAVVQNRDP-UHFFFAOYSA-N;136.24;3.14;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC2_SC1";;;;;;;4.87;;0.53;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM425525;MM425525;CN(C)n1ncn(C)c1=N;ZBPLXBXWNXLZLQ-UHFFFAOYSA-N;141.18;-1.1;;;;;DOPC;MDCG;27;1;"MARTINI bead: SP2_SP2";;;;;;;-1.34;;-5.39;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM425526;MM425526;COC1C=CC(NC=N)=C1;NYODGJYDRYJOAG-UHFFFAOYSA-N;138.17;0.65;;;;;DOPC;MDCG;27;1;"MARTINI bead: SNa_SNd";;;;;;;0.87;;-4.99;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM425527;MM425527;C=CC(OC)C1OC1CF;HBIMNQUUSFYXQX-UHFFFAOYSA-N;146.16;0.92;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_SNa";;;;;;;0.87;;-2.22;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM425528;MM425528;C=CC(C=O)C=CCNC;PTCFHPXMNXLPJO-UHFFFAOYSA-N;139.2;0.76;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_Na";;;;;;;0.87;;-4.12;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM425529;MM425529;NCCCOC1(CF)CC1;HPMKRHCWEDRWGY-UHFFFAOYSA-N;147.19;0.85;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_SP1";;;;;;;0.04;;-5.36;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM425530;MM425530;CC=C1CC2(CN)CC1C2;LJRPPZHGCWMNOX-UHFFFAOYSA-N;137.23;1.69;;;;;DOPC;MDCG;27;1;"MARTINI bead: SC1_SNd";;;;;;;2.91;;-0.28;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM425531;MM425531;CN(C)n1ncn(C)c1=O;SWUCZVCYDYOIDI-UHFFFAOYSA-N;142.16;-1.22;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP3_SP2";;;;;;;-2.2;;-5.19;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM425532;MM425532;C=COC1=CC(CC)C=C1;VNMWXZRQBGVHPK-UHFFFAOYSA-N;136.19;2.63;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC3_SC4";;;;;;;3.9;;0.47;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM425533;MM425533;CN(C=O)CC(=O)C(=N)N;PVCOVODNNRYSDC-UHFFFAOYSA-N;143.15;-1.42;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_P3";;;;;;;-2.2;;-5.19;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM425534;MM425534;C=CC(C#N)C=CCNC;OPSUPAMTPYTBCS-UHFFFAOYSA-N;136.2;1.09;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_N0";;;;;;;1.17;;-3.37;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM425535;MM425535;C=CN(N)C(=O)C(C)=NN;VMLBZJHUVFEACB-UHFFFAOYSA-N;142.16;-0.83;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nd_P2";;;;;;;-0.24;;-3.16;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM425536;MM425536;OCCCOC1(CF)CC1;HMFXCDSSGYRWDL-UHFFFAOYSA-N;148.18;0.89;;;;;DOPC;MDCG;27;0;"MARTINI bead: P3_SC5";;;;;;;-0.33;;-2.01;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM425537;MM425537;C=COC1=CC(CN)C=C1;RVUQMPFUSGZNPF-UHFFFAOYSA-N;137.18;1.18;;;;;DOPC;MDCG;27;1;"MARTINI bead: SNd_SC4";;;;;;;2.2;;-2.15;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM425538;MM425538;CN(C)n1ncn(N)c1=O;OKHFORXNBQZJRI-UHFFFAOYSA-N;143.15;-2.04;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP3_SP2";;;;;;;-2.2;;-5.19;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM425539;MM425539;CCC(C#N)C1CN1CC;VVGRIQCTDCCMFN-UHFFFAOYSA-N;138.21;1.24;;;;;DOPC;MDCG;27;0;"MARTINI bead: N0_SNd";;;;;;;1.17;;-1.04;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM425540;MM425540;CNCC=CC(C#N)C#N;TVVUHMANZHTAOG-UHFFFAOYSA-N;135.17;0.43;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_P2";;;;;;;-0.24;;-5.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM425541;MM425541;CC=C1CC2(CF)CC1C2;SDAIVJMCHKAKPW-UHFFFAOYSA-N;140.2;2.7;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC1_SC5";;;;;;;3.68;;0.46;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM425542;MM425542;CCC1(OCCNC)CC1;UPMKKHWWACBJEF-UHFFFAOYSA-N;143.23;1.17;;;;;DOPC;MDCG;27;1;"MARTINI bead: SC3_P2";;;;;;;1.46;;-2.29;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM425543;MM425543;C=COC1=CC(CO)C=C1;GCMWNJPIKZQAJY-UHFFFAOYSA-N;138.17;1.21;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNda_SC4";;;;;;;2.2;;0.49;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM425544;MM425544;N=c1nnc(=O)onc1O;GOUOLMFINJJEOS-UHFFFAOYSA-N;142.07;-1.99;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP3_SP3";;;;;;;-3.07;;-10.24;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM425545;MM425545;C=CC(CN)C1CN1CC;HTOSQDJZDVPLPW-UHFFFAOYSA-N;140.23;0.45;;;;;DOPC;MDCG;27;1;"MARTINI bead: SNd_Nd";;;;;;;0.87;;-4.55;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM425546;MM425546;C=CC(C=O)C=CCOC;XRICABFFUIOYNH-UHFFFAOYSA-N;140.18;1.19;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_Na";;;;;;;0.87;;-2.22;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM425547;MM425547;CCC12CC(=NO)C(C1)C2;BYCNGXVEHJFSAS-UHFFFAOYSA-N;139.2;2.03;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC2_SNda";;;;;;;2.83;;0.57;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM425548;MM425548;CCC1(OCCOC)CC1;KFBLGVGHXMZFQD-UHFFFAOYSA-N;144.21;1.59;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC3_P2";;;;;;;1.46;;-0.15;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM425549;MM425549;C=CC(NC)C1CN1CC;ILQGOYQBMQPTTB-UHFFFAOYSA-N;140.23;0.46;;;;;DOPC;MDCG;27;1;"MARTINI bead: SNd_Nd";;;;;;;0.87;;-4.03;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM425550;MM425550;C=COC1=CC(CF)C=C1;BHFJQNIQBALCAF-UHFFFAOYSA-N;140.16;2.19;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC5_SC4";;;;;;;2.97;;0.45;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM425551;MM425551;CC(=O)n1ncn(C)c1=N;HQZZYTRHONLINY-UHFFFAOYSA-N;140.15;-0.64;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP2_SP2";;;;;;;-1.34;;-4.31;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM425552;MM425552;C=CC(C#N)C=CCOC;UDVJJPKRSXMFIF-UHFFFAOYSA-N;137.18;1.51;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_C5";;;;;;;1.64;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM425553;MM425553;COCCOC1(CF)CC1;KBFSRRWRTVVHQB-UHFFFAOYSA-N;148.18;1.15;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_SC5";;;;;;;0.54;;-1.09;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM425554;MM425554;C=NN(C)C(=O)C(C)=NN;TUQVEIIWJJTOKT-UHFFFAOYSA-N;142.16;-0.61;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_Nd";;;;;;;-0.24;;-3.16;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM425555;MM425555;CCN1CC1C(C#N)NC;HZBCOYFAJHKWRE-UHFFFAOYSA-N;139.2;-0.2;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNd_P2";;;;;;;-0.24;;-3.16;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM425556;MM425556;CC(=O)n1ncn(N)c1=N;XPQJXMHEYYZNEA-UHFFFAOYSA-N;141.13;-1.46;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP2_SP2";;;;;;;-1.34;;-4.31;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM425557;MM425557;C=COC1=CC(NC)C=C1;MGFDDICLPCGRKM-UHFFFAOYSA-N;137.18;1.19;;;;;DOPC;MDCG;27;1;"MARTINI bead: SNd_SC4";;;;;;;2.2;;-0.79;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM425558;MM425558;C=CC(C=C)C=COCC;OFANOFZMWQOIJO-UHFFFAOYSA-N;138.21;2.52;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_C1";;;;;;;2.91;;0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM425559;MM425559;CCOCOC1(CC)CC1;MMFIDFMYAMXCRW-UHFFFAOYSA-N;144.21;1.94;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_SC3";;;;;;;1.74;;0.29;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM425560;MM425560;OCC12CC(=NO)C(C1)C2;FVWDZBIVTBCJGC-UHFFFAOYSA-N;141.17;0.61;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNda_SNda";;;;;;;0.87;;-2.07;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM425561;MM425561;CCC1CC(O)(C(C)C)C1;ZDICYYMCAJEGMS-UHFFFAOYSA-N;142.24;2.19;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC2_SC5";;;;;;;3.6;;0.34;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM425562;MM425562;N=C(N)n1ncn(N)c1=N;RNMVXEFXMXIFKP-UHFFFAOYSA-N;141.14;-2.38;;;;;DOPC;MDCG;27;1;"MARTINI bead: SP3_SP2";;;;;;;-2.2;;-6.45;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM425563;MM425563;C=COC1=CC(OC)C=C1;QEYJEFHWDMHUPM-UHFFFAOYSA-N;138.17;1.62;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNa_SC4";;;;;;;2.2;;0.34;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM425564;MM425564;C=CC(C=O)C=COCC;ZIXRVNOOQTWGSB-UHFFFAOYSA-N;140.18;1.54;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_Na";;;;;;;0.87;;-2.22;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM425565;MM425565;CC=C1CC2(NC)CC1C2;ZWSJUUPTJLPJOM-UHFFFAOYSA-N;137.23;1.7;;;;;DOPC;MDCG;27;1;"MARTINI bead: SNd_SC1";;;;;;;2.91;;-0.71;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM425566;MM425566;CCOCOC1(CN)CC1;AXHIKGGZQVYKDU-UHFFFAOYSA-N;145.2;0.49;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1_SNd";;;;;;;0.04;;-4.76;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM425567;MM425567;C=C(C)n1ncn(C)c1=O;HFGSMQOFPBKPGH-UHFFFAOYSA-N;139.16;0.07;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP2_SP2";;;;;;;-1.34;;-4.31;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM425568;MM425568;CCN1CC1C(C#N)OC;RZCWWFVGSLPIBS-UHFFFAOYSA-N;140.19;0.23;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNd_P1";;;;;;;0.04;;-2.63;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM425569;MM425569;C=CNC1=NC(CC)C=C1;HSUZEZYHHBPGFA-UHFFFAOYSA-N;136.2;1.47;;;;;DOPC;MDCG;27;1;"MARTINI bead: SC5_SNd";;;;;;;1.64;;-2.4;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM425570;MM425570;C=CC(C#N)C=COCC;ZWAZKIPZNIYLKF-UHFFFAOYSA-N;137.18;1.86;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_C5";;;;;;;1.64;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM425571;MM425571;CNC12CC(=CF)C(C1)C2;SZRVPIJHNOIHKX-UHFFFAOYSA-N;141.19;1.61;;;;;DOPC;MDCG;27;1;"MARTINI bead: SNd_SC4";;;;;;;2.2;;-2.38;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM425572;MM425572;CCOCOC1(CF)CC1;OEMWGLBFBWMKCQ-UHFFFAOYSA-N;148.18;1.5;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_SC5";;;;;;;0.81;;-0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM425573;MM425573;CCC(C)(O)CC1CC1C;HAPOLZFWQRKNJN-UHFFFAOYSA-N;142.24;2.19;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda_SC5";;;;;;;1.64;;0.05;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM425574;MM425574;CC(=N)n1ncn(C)c1=O;XFLZSOVKFXOUPH-UHFFFAOYSA-N;140.15;-0.57;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP2_SP2";;;;;;;-1.34;;-4.31;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM425575;MM425575;C=CNC1=NC(CN)C=C1;YELMUYLYYUCVEE-UHFFFAOYSA-N;137.19;0.02;;;;;DOPC;MDCG;27;1;"MARTINI bead: SP1_SNd";;;;;;;0.04;;-4.82;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM425576;MM425576;CCOC=CC(C=O)C=O;VKGYBYYOKRNFPA-UHFFFAOYSA-N;142.15;0.55;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_Na";;;;;;;0.87;;-2.22;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM425577;MM425577;CC=C1CC2(OC)CC1C2;PDWOHEHPFRPDSV-UHFFFAOYSA-N;138.21;2.13;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNa_SC1";;;;;;;2.91;;0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM425578;MM425578;CCCCOC1(OC)CC1;VWCCEDAMRLDVIT-UHFFFAOYSA-N;144.21;1.94;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_SNa";;;;;;;0.87;;-2.22;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM425579;MM425579;CCC(C#N)N1CC1CC;MLTUELLZBGPYLX-UHFFFAOYSA-N;138.21;1.38;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNd_N0";;;;;;;1.17;;-1.04;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM425580;MM425580;CC(=O)n1ncn(C)c1=O;ROAKZKOWACGFDC-UHFFFAOYSA-N;141.13;-0.76;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP3_SP2";;;;;;;-2.2;;-5.19;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM425581;MM425581;CCOC=CC(C#N)C=O;GLQAWCFIMKBWSH-UHFFFAOYSA-N;139.15;0.88;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_Na";;;;;;;0.87;;-2.22;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM425582;MM425582;C=CN=C1C=CC(CO)N1;JLZPXAMFHHVYOJ-UHFFFAOYSA-N;138.17;0.05;;;;;DOPC;MDCG;27;1;"MARTINI bead: SP1_SNd";;;;;;;0.04;;-4.99;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM425583;MM425583;COC12CC(=NN)C(C1)C2;GHHDUGOEOMRYJT-UHFFFAOYSA-N;140.19;0.5;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNa_SNd";;;;;;;0.87;;-1.88;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM425584;MM425584;C=CC(CN)N1CC1CC;KIMMVPKEHGNKQI-UHFFFAOYSA-N;140.23;0.59;;;;;DOPC;MDCG;27;1;"MARTINI bead: SP1_P3";;;;;;;-1.93;;-6.64;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM425585;MM425585;C=C(C)n1ncn(N)c1=O;LNVDRAXJVOYKHQ-UHFFFAOYSA-N;140.15;-0.75;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP2_SP2";;;;;;;-1.34;;-4.31;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM425586;MM425586;COCCOC1(OC)CC1;JBTCLHQZDMAIKQ-UHFFFAOYSA-N;146.19;0.79;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_SNa";;;;;;;-0.24;;-3.24;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM425587;MM425587;CCOC=CC(C#N)C#N;KBIQGCIXAACHDW-UHFFFAOYSA-N;136.15;1.2;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_P2";;;;;;;0.54;;-1.09;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM425588;MM425588;C=CNC1=NC(CF)C=C1;HYFHKSSKTVLESE-UHFFFAOYSA-N;140.16;1.03;;;;;DOPC;MDCG;27;1;"MARTINI bead: SNa_SNd";;;;;;;0.87;;-3.67;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM425589;MM425589;COC12CC(=NO)C(C1)C2;BACOZMPNUFWQJC-UHFFFAOYSA-N;141.17;1.02;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNa_SNda";;;;;;;0.87;;-1.99;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM425590;MM425590;CN=NC(C=NN)=CNN;GVGLTLIOPKPGSF-UHFFFAOYSA-N;142.17;-0.68;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_P3";;;;;;;-0.33;;-2.01;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM425591;MM425591;CC(=N)n1ncn(N)c1=O;JUVLTOMQCPINBN-UHFFFAOYSA-N;141.13;-1.4;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP2_SP2";;;;;;;-1.34;;-4.31;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM425592;MM425592;CCC1(CCCCN)CN1;DSRMWNNZSSIDJY-UHFFFAOYSA-N;142.25;0.87;;;;;DOPC;MDCG;27;1;"MARTINI bead: SNd_Nd";;;;;;;0.87;;-4.92;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM425593;MM425593;C#CC=NNC(=N)C(F)F;HDBOHSXFRFTUDR-UHFFFAOYSA-N;145.11;0.44;;;;;DOPC;MDCG;27;0;"MARTINI bead: N0_Nd";;;;;;;1.17;;-1.04;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM425594;MM425594;C=CCc1ccn(CC)c1;OHVSQOHRLGVFJN-UHFFFAOYSA-N;135.21;2.24;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC5_SC5";;;;;;;2.41;;0.64;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM425595;MM425595;CCC12CC(C1)C(=NC)N2;AWRWDXAWVWTSRA-UHFFFAOYSA-N;138.21;1.18;;;;;DOPC;MDCG;27;1;"MARTINI bead: SC2_SNd";;;;;;;2.83;;-1.63;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM425596;MM425596;C=CC(CC)N1CC1CN;RTRATAOZSNCPQH-UHFFFAOYSA-N;140.23;0.59;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_SP2";;;;;;;-0.24;;-5.1;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM425597;MM425597;Cc1nc(=NN)n(C)o1;BACPENJOYGVFRN-UHFFFAOYSA-N;128.14;-0.9;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP1_SP2";;;;;;;-1.06;;-3.82;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM425598;MM425598;CCCCCC1(CN)CN1;ZOUCHMASMHVCHH-UHFFFAOYSA-N;142.25;0.87;;;;;DOPC;MDCG;27;1;"MARTINI bead: C1_SP2";;;;;;;1.8;;-0.89;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM425599;MM425599;CNN=c1cc(C)n(N)o1;HJCGJYKSUBZQTI-UHFFFAOYSA-N;142.16;-0.86;;;;;DOPC;MDCG;27;0;"MARTINI bead: SN0_SP2";;;;;;;0.06;;-2.21;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM425600;MM425600;CCn1ccc(CC=O)c1;WTXKZJASPZJBNL-UHFFFAOYSA-N;137.18;1.25;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC5_SNa";;;;;;;1.64;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM425601;MM425601;C=Nn1[nH]nc(N)c1=O;KFCMTMPBNYVFEW-UHFFFAOYSA-N;127.11;-1.38;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP2_SP2";;;;;;;-1.34;;-9.22;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM425602;MM425602;CC=NOC(=O)C(F)CF;HVLMNUGFYXMLTQ-UHFFFAOYSA-N;151.11;0.84;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_Na";;;;;;;0.87;;-2.22;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM425603;MM425603;NCCCCC1(CN)CN1;LSGSBDXKZZMIJF-UHFFFAOYSA-N;143.23;-0.58;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_SP2";;;;;;;-0.24;;-6;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM425604;MM425604;C=CC(CN)N1CC1CN;BOSFIBOFLQPGCK-UHFFFAOYSA-N;141.22;-0.86;;;;;DOPC;MDCG;27;1;"MARTINI bead: SP2_P3";;;;;;;-2.2;;-7.4;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM425605;MM425605;C=CC(C=C)C=NOCC;CAZMVZXNAZTSRU-UHFFFAOYSA-N;139.2;2;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_C1";;;;;;;2.08;;0.48;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM425606;MM425606;CCn1ccc(CC#N)c1;PHYBQWHYGGECNA-UHFFFAOYSA-N;134.18;1.57;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC5_SN0";;;;;;;1.94;;0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM425607;MM425607;O=C(O)C(O)C(=O)O;ROBFUDYVXSDBQM-UHFFFAOYSA-N;120.06;-1.48;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_P1";;;;;;;-1.06;;-8.71;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM425608;MM425608;CN=C1NC2(CN)CC1C2;GLBGCWZZWINKDR-UHFFFAOYSA-N;139.2;-0.27;;;;;DOPC;MDCG;27;1;"MARTINI bead: SNd_SNd";;;;;;;0.87;;-5.53;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM425609;MM425609;NCC1(CCCCO)CN1;AQZXGAKKRBJPKY-UHFFFAOYSA-N;144.22;-0.55;;;;;DOPC;MDCG;27;1;"MARTINI bead: SP2_Nda";;;;;;;-0.24;;-5.3;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM425610;MM425610;CC=CC(=O)CC1CN1C;DHTQHVSMKIYFKM-UHFFFAOYSA-N;139.2;0.84;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_SP1";;;;;;;0.81;;-0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM425611;MM425611;C=CC(C#N)C=NOCC;DZBFAQFPZYBNJB-UHFFFAOYSA-N;138.17;1.33;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_C5";;;;;;;0.81;;-0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM425612;MM425612;C=CCc1ccn(NC)c1;JHSKOTDYJCDPDV-UHFFFAOYSA-N;136.2;1.39;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNd_SC5";;;;;;;1.64;;0.02;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM425613;MM425613;CCC1C(C)C(C)(O)C1C;ALVDNVBSBKNCND-UHFFFAOYSA-N;142.24;2.05;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC1_SNda";;;;;;;2.91;;0.57;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM425614;MM425614;CN=c1nnnnc(=O)[nH]1;HSIKSZZKJQXPBS-UHFFFAOYSA-N;140.11;-2.51;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP3_SP3";;;;;;;-3.07;;-10.24;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM425615;MM425615;CN=C1NC2(CO)CC1C2;QZTFXJJSTBXBAX-UHFFFAOYSA-N;140.19;-0.24;;;;;DOPC;MDCG;27;1;"MARTINI bead: SNd_SNda";;;;;;;0.87;;-5.07;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM425616;MM425616;NCCCCC1(CO)CN1;CSXKXCVKXDBFHK-UHFFFAOYSA-N;144.22;-0.55;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_SP2";;;;;;;-0.24;;-5.94;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM425617;MM425617;C=CN(C=N)C=CCCC;VNPKTZQKTCAOCY-UHFFFAOYSA-N;138.21;2.35;;;;;DOPC;MDCG;27;1;"MARTINI bead: C1_P1";;;;;;;2.08;;-1.92;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM425618;MM425618;CCOC=CCOC=NN;AXWGBRPWEZKBLR-UHFFFAOYSA-N;144.17;0.46;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_P1";;;;;;;0.81;;-0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM425619;MM425619;CC=C1OC2(CC)CC1C2;SPOVJRNNEVQIBY-UHFFFAOYSA-N;138.21;2.48;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC2_SC5";;;;;;;3.6;;0.34;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM425620;MM425620;Cc1non(C(C)C)c1=N;MOIHTMQVEIQURU-UHFFFAOYSA-N;141.17;0.84;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP1_SNa";;;;;;;0.04;;-2.54;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM425621;MM425621;C=C(C)c1coc(=NN)o1;QCCWJTHXHDUSMC-UHFFFAOYSA-N;140.14;0.68;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4_SP2";;;;;;;1.09;;-0.38;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM425622;MM425622;C=NN(C=N)C=NC(C)=O;LADQOBISBUBZFI-UHFFFAOYSA-N;140.15;0.09;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_P2";;;;;;;-0.24;;-3.24;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM425623;MM425623;C=CN(C=N)C=CCCN;WPTJRUPWFLGQHS-UHFFFAOYSA-N;139.2;0.9;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_P2";;;;;;;-0.24;;-6.7;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM425624;MM425624;C=CCc1ccn(OC)c1;RUGOHGWMCKQYCH-UHFFFAOYSA-N;137.18;1.28;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNa_SC5";;;;;;;1.64;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM425625;MM425625;CC=C1OC2(CN)CC1C2;ISIFKJSEKWYGBY-UHFFFAOYSA-N;139.2;1.03;;;;;DOPC;MDCG;27;1;"MARTINI bead: SC5_SNd";;;;;;;1.64;;-2;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM425626;MM425626;CCC1CN1N(C=N)CC;AJCPFERNQVZFAY-UHFFFAOYSA-N;141.22;0.92;;;;;DOPC;MDCG;27;1;"MARTINI bead: SP1_P2";;;;;;;-1.06;;-6.26;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM425627;MM425627;CCC1(CCCNC)CN1;IURYEZFBGVDRAZ-UHFFFAOYSA-N;142.25;0.74;;;;;DOPC;MDCG;27;1;"MARTINI bead: SNd_Nd";;;;;;;0.87;;-5.24;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM425628;MM425628;Cc1non(C(C)C)c1=O;XJLXZTZWJSTTMJ-UHFFFAOYSA-N;142.16;0.73;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP1_SNa";;;;;;;0.04;;-2.54;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM425629;MM425629;COn1ccc(CC=O)c1;HINRJTSPKOZDQK-UHFFFAOYSA-N;139.15;0.29;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNa_SNa";;;;;;;0.87;;-2.22;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM425630;MM425630;C=CN(C=N)C=CCCO;KTJLHSHTHNBIIJ-UHFFFAOYSA-N;140.19;0.94;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nda_P2";;;;;;;-0.24;;-6.78;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM425631;MM425631;CC=C1OC2(CO)CC1C2;GILFLVBHGLVAKS-UHFFFAOYSA-N;140.18;1.06;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC5_SNda";;;;;;;1.64;;0.05;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM425632;MM425632;CCC1CN1N(C=O)CC;IJRPZVZRYAKHPW-UHFFFAOYSA-N;142.2;0.47;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP1_P2";;;;;;;-1.06;;-3.82;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM425633;MM425633;CNCCCC1(CN)CN1;LQJCQGBECGWAPS-UHFFFAOYSA-N;143.23;-0.71;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_SP2";;;;;;;-0.24;;-6.29;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM425634;MM425634;Cc1non(N(C)C)c1=N;OIPMUBVVRXECQU-UHFFFAOYSA-N;142.16;-0.54;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP2_SNa";;;;;;;-0.24;;-3.24;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM425635;MM425635;COn1ccc(CC#N)c1;RYRYKRKFSUQBSC-UHFFFAOYSA-N;136.15;0.61;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNa_SN0";;;;;;;1.17;;-1.18;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM425636;MM425636;C=CN(C=N)C=CCCF;WFTVEEVIPIATDX-UHFFFAOYSA-N;142.18;1.91;;;;;DOPC;MDCG;27;1;"MARTINI bead: C5_P2";;;;;;;0.54;;-4.59;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM425637;MM425637;CCN(C=O)N1CC1CN;AECUURSEAOKOHF-UHFFFAOYSA-N;143.19;-0.98;;;;;DOPC;MDCG;27;1;"MARTINI bead: P2_SP2";;;;;;;-1.34;;-5.82;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM425638;MM425638;CC=C1OC2(CF)CC1C2;LVMMWCJRFRZAHT-UHFFFAOYSA-N;142.17;2.04;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC5_SC5";;;;;;;2.41;;0.64;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM425639;MM425639;CNCCCC1(CO)CN1;UBVVZWXCUTXDHO-UHFFFAOYSA-N;144.22;-0.68;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_SP2";;;;;;;-0.24;;-6.26;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM425640;MM425640;Cc1non(N(C)C)c1=O;IQWVCFUIRCIXAN-UHFFFAOYSA-N;143.15;-0.66;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP3_SNa";;;;;;;-1.1;;-4.2;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM425641;MM425641;CCn1ccc(NC=N)c1;KTRWARKPPNCJSK-UHFFFAOYSA-N;137.19;1.53;;;;;DOPC;MDCG;27;1;"MARTINI bead: SC5_SP1";;;;;;;0.81;;-1.74;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM425642;MM425642;C=CN(C=O)C=CCCC;NSWSGHCOTWBJHH-UHFFFAOYSA-N;139.2;1.9;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1_P2";;;;;;;1.8;;0.4;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM425643;MM425643;CON=C(OC)C(C)=NN;IGTDOGFAWVVGRN-UHFFFAOYSA-N;145.16;-0.07;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_Nd";;;;;;;0.87;;-1.88;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM425644;MM425644;CCN(C=N)N1CC1CO;SXTCIENXPOOOGR-UHFFFAOYSA-N;143.19;-0.49;;;;;DOPC;MDCG;27;1;"MARTINI bead: P2_SP2";;;;;;;-1.34;;-6.74;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM425645;MM425645;COCCCC1(CF)CN1;KINNVPKLRXUVLJ-UHFFFAOYSA-N;147.19;0.72;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_SP1";;;;;;;0.04;;-2.54;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM425646;MM425646;C=C(C)n1onc(C)c1=N;DGQDCNBUQVZHNZ-UHFFFAOYSA-N;139.16;0.75;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP1_SNa";;;;;;;0.04;;-2.54;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM425647;MM425647;CCn1ccc(NC=O)c1;CODZENZDBJOCCZ-UHFFFAOYSA-N;138.17;1.08;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC5_SNda";;;;;;;1.64;;0.05;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM425648;MM425648;C=CN(C=O)C=CCCN;BLOQZGJWHDZHJR-UHFFFAOYSA-N;140.19;0.45;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_P2";;;;;;;-0.24;;-5.61;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM425649;MM425649;NCC12CC(C1)C(=NO)O2;BAXQHIGMALYGRR-UHFFFAOYSA-N;142.16;-0.09;;;;;DOPC;MDCG;27;1;"MARTINI bead: SNd_SP1";;;;;;;0.04;;-4.62;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM425650;MM425650;CCNCCC1(CC)CN1;ILOAMVGPMVPRGE-UHFFFAOYSA-N;142.25;0.74;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_SNd";;;;;;;0.87;;-4.95;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM425651;MM425651;CCN(C=O)N1CC1CO;ZJPSFYMIPGWPFY-UHFFFAOYSA-N;144.17;-0.94;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_SP2";;;;;;;-1.34;;-4.31;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM425652;MM425652;CC(=N)n1onc(C)c1=N;HQLVOYRWCGVNRL-UHFFFAOYSA-N;140.15;0.11;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP2_SNa";;;;;;;-0.24;;-3.24;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM425653;MM425653;C=CN(C=O)C=CCCF;RRYIKLZZRVAFRI-UHFFFAOYSA-N;143.16;1.46;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4_P2";;;;;;;1.09;;-0.38;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM425654;MM425654;CNn1ccc(NC=N)c1;KFXPSAVFEMCWLF-UHFFFAOYSA-N;138.17;0.68;;;;;DOPC;MDCG;27;1;"MARTINI bead: SNd_SP1";;;;;;;0.04;;-3.64;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM425655;MM425655;C=NN=CC(C=O)N(C)C;WPEWCVXZTXXDLQ-UHFFFAOYSA-N;141.17;-0.2;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_N0";;;;;;;0.34;;-1.53;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM425656;MM425656;CCN(C=N)N1CC1CF;PAIMTOHOSCSBFG-UHFFFAOYSA-N;145.18;0.48;;;;;DOPC;MDCG;27;1;"MARTINI bead: P2_SP1";;;;;;;-1.06;;-6.25;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM425657;MM425657;CCNCCC1(CN)CN1;BCETVAPBPWZLRI-UHFFFAOYSA-N;143.23;-0.71;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_SP2";;;;;;;-0.24;;-6.03;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM425658;MM425658;CC(=O)n1onc(C)c1=N;QNMJWNSCDIXPHH-UHFFFAOYSA-N;141.13;-0.08;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP2_SNa";;;;;;;-0.24;;-3.24;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM425659;MM425659;CCNN=CCOC=NN;ZIRLCSAPJHFQQR-UHFFFAOYSA-N;144.18;-0.5;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nd_P1";;;;;;;0.04;;-2.63;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM425660;MM425660;CCCC=CN(C=N)C=N;QSNQIENWCFLDKT-UHFFFAOYSA-N;139.2;1.82;;;;;DOPC;MDCG;27;1;"MARTINI bead: C1_P4";;;;;;;0.85;;-2.23;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM425661;MM425661;OCC12CC(C1)C(=NO)O2;WTENGZADKKDTDR-UHFFFAOYSA-N;143.14;-0.05;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNda_SP1";;;;;;;0.04;;-2.73;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM425662;MM425662;CCNCCC1(CO)CN1;ZCXCJYKRVZEVAR-UHFFFAOYSA-N;144.22;-0.68;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_SP2";;;;;;;-0.24;;-5.68;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM425663;MM425663;Cc1non(C(N)=O)c1=N;SIOPARFPFKHYGM-UHFFFAOYSA-N;142.12;-0.81;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNa_SP3";;;;;;;-1.1;;-4.2;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM425664;MM425664;CCN(C=O)N1CC1CF;NNQZHIPXAHYUBD-UHFFFAOYSA-N;146.17;0.03;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_SP1";;;;;;;-1.06;;-3.82;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM425665;MM425665;C=COc1ccn(CC)c1;HJAXBYYZCNEENI-UHFFFAOYSA-N;137.18;2.03;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC5_SNa";;;;;;;1.64;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM425666;MM425666;N=CN(C=N)C=CCCN;KTRZNNBMWWHAKE-UHFFFAOYSA-N;140.19;0.37;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_P4";;;;;;;-1.19;;-7.28;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM425667;MM425667;CC=C1OC2(OC)CC1C2;PGGZKYCEEKYQST-UHFFFAOYSA-N;140.18;1.67;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNa_SC5";;;;;;;1.64;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM425668;MM425668;CCNCCC1(CF)CN1;WHDJUMIYMIRXLK-UHFFFAOYSA-N;146.21;0.3;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_SNda";;;;;;;0.87;;-4.75;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM425669;MM425669;C#CC(CC)C1CC1CC;HUULZSRXKBWRGD-UHFFFAOYSA-N;136.24;2.69;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC3_C3";;;;;;;4.27;;0.2;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM425670;MM425670;COCONC(=O)C(=O)O;AJYIKFLXRVQCTQ-UHFFFAOYSA-N;149.1;-1.28;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_P2";;;;;;;-1.34;;-9.23;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM425671;MM425671;C=COc1ccn(NC)c1;LNYBVPYFIQKQLC-UHFFFAOYSA-N;138.17;1.18;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNd_SNa";;;;;;;0.87;;-1.88;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM425672;MM425672;N=CN(C=N)C=CCCO;WBTAIELIWVIVNU-UHFFFAOYSA-N;141.17;0.4;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1_P2";;;;;;;-1.06;;-5.5;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM425673;MM425673;C#CC(CN)C1CC1CC;WSZHQOPGCSWKPK-UHFFFAOYSA-N;137.23;1.24;;;;;DOPC;MDCG;27;1;"MARTINI bead: SC3_Nd";;;;;;;2.57;;-1.19;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM425674;MM425674;C=NN=CC(=NN)C(C)F;XBNCUUVFJAJPKU-UHFFFAOYSA-N;144.15;0.35;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda_N0";;;;;;;1.17;;-1.13;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM425675;MM425675;C=C(C)n1onc(C)c1=O;LQLITOOAVOGVKU-UHFFFAOYSA-N;140.14;0.64;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP1_SNa";;;;;;;0.04;;-2.54;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM425676;MM425676;CCOCCC1(CN)CN1;RHCDTLBLWCMCBG-UHFFFAOYSA-N;144.22;-0.29;;;;;DOPC;MDCG;27;1;"MARTINI bead: C5_SP2";;;;;;;0.54;;-3.07;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM425677;MM425677;C=COc1ccn(OC)c1;PUUNQWWTOHVEKP-UHFFFAOYSA-N;139.15;1.07;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNa_SNa";;;;;;;0.87;;-2.22;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM425678;MM425678;CCCC=CN(C=N)C=O;RIURBRNSROMMAM-UHFFFAOYSA-N;140.19;1.37;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1_P4";;;;;;;0.85;;-0.64;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM425679;MM425679;CC=C(F)C=NNC=NC;YLJNRVDLIMGWNP-UHFFFAOYSA-N;143.17;1.09;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4_P1";;;;;;;1.37;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM425680;MM425680;COC12CC(C1)C(=NO)O2;NVSMUWFIIIDFIA-UHFFFAOYSA-N;143.14;0.56;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNa_SP1";;;;;;;0.04;;-2.54;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM425681;MM425681;CC(=N)n1onc(C)c1=O;ZJTJMRWSSVLSFD-UHFFFAOYSA-N;141.13;-0.01;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP2_SNa";;;;;;;-0.24;;-3.24;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM425682;MM425682;CCOCCC1(CF)CN1;KLEFKVYQERKUBH-UHFFFAOYSA-N;147.19;0.72;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_SP1";;;;;;;0.81;;-0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM425683;MM425683;C=CCc1cnn(CC)c1;LNQJTIKDBVVZQO-UHFFFAOYSA-N;136.2;1.63;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNa_SN0";;;;;;;1.17;;-1.18;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM425684;MM425684;N=CN(C=O)C=CCCN;CGGAQWIWZLFQNK-UHFFFAOYSA-N;141.17;-0.09;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_P4";;;;;;;-1.19;;-7.22;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM425685;MM425685;CC(=O)n1onc(C)c1=O;ZFDHXSLBALNBNE-UHFFFAOYSA-N;142.11;-0.2;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP2_SNa";;;;;;;-0.24;;-3.24;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM425686;MM425686;CC=C1CC2(CO)CC1N2;OLTYXHLGTNXFST-UHFFFAOYSA-N;139.2;0.43;;;;;DOPC;MDCG;27;1;"MARTINI bead: SC1_SP2";;;;;;;1.8;;-0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM425687;MM425687;C#CC(CC)C1CC1CN;FZILCFSSZDPKFT-UHFFFAOYSA-N;137.23;1.24;;;;;DOPC;MDCG;27;1;"MARTINI bead: C3_SNd";;;;;;;2.57;;-1.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM425688;MM425688;CCCNCC1(CC)CN1;CDICPUZNUIOCRD-UHFFFAOYSA-N;142.25;0.74;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_SNd";;;;;;;0.87;;-4.59;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM425689;MM425689;C=COC=CCOC=NN;LCAOZQMVDBYFQL-UHFFFAOYSA-N;142.16;0.58;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_C5";;;;;;;0.81;;-0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM425690;MM425690;C#CC(C)(CF)NCC=O;BPBJELGOMRFJCG-UHFFFAOYSA-N;143.16;0.14;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_P1";;;;;;;0.04;;-2.54;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM425691;MM425691;Cn1oc(F)nc1=NN;UTCGDXANDAOXTP-UHFFFAOYSA-N;132.1;-1.07;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNa_SP2";;;;;;;-0.24;;-3.24;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM425692;MM425692;CC=C1CC2(CC)CC1O2;BDBGRJFWCMFPNP-UHFFFAOYSA-N;138.21;2.27;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNa_SC1";;;;;;;2.91;;0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM425693;MM425693;C#CC(CN)C1CC1CN;QPAMMTGECRCVSN-UHFFFAOYSA-N;138.21;-0.21;;;;;DOPC;MDCG;27;1;"MARTINI bead: SNd_Nd";;;;;;;0.87;;-5.07;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM425694;MM425694;CCC1(CNCCN)CN1;YEXLOMQCEMQNJN-UHFFFAOYSA-N;143.23;-0.71;;;;;DOPC;MDCG;27;1;"MARTINI bead: SNd_P3";;;;;;;-1.1;;-6.01;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM425695;MM425695;C=CCc1cnn(NC)c1;YYLQWPWYPDICFI-UHFFFAOYSA-N;137.19;0.78;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP1_SN0";;;;;;;0.34;;-1.53;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM425696;MM425696;CCCC=CN(C=O)C=O;ZJXTUNPMLTYGNX-UHFFFAOYSA-N;141.17;0.92;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1_P4";;;;;;;0.85;;-0.64;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM425697;MM425697;CCC12CC(=NN)C(C1)O2;QDEGEFDVRPWMHM-UHFFFAOYSA-N;140.19;0.64;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNa_SNd";;;;;;;0.87;;-1.88;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM425698;MM425698;Cc1non(C(N)=O)c1=O;DKSQREHOGOOCKI-UHFFFAOYSA-N;143.1;-0.93;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNa_SP3";;;;;;;-1.1;;-4.2;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM425699;MM425699;C#CC(CO)C1CC1CN;ORPQQOXRAIFNSF-UHFFFAOYSA-N;139.2;-0.18;;;;;DOPC;MDCG;27;1;"MARTINI bead: SNd_Nda";;;;;;;0.87;;-4.72;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM425700;MM425700;CCCNCC1(CN)CN1;XLOLIRBBAMKKJG-UHFFFAOYSA-N;143.23;-0.71;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_SP2";;;;;;;-0.24;;-5.39;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM425701;MM425701;C#CCC=CCOC=NN;BBRQXVAHQGFRND-UHFFFAOYSA-N;138.17;0.48;;;;;DOPC;MDCG;27;0;"MARTINI bead: P3_C3";;;;;;;0.6;;-0.8;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM425702;MM425702;NCCC=CN(C=O)C=O;XOFFVUFDVNNZBE-UHFFFAOYSA-N;142.16;-0.54;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_P4";;;;;;;-1.19;;-7.22;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM425703;MM425703;C=CC12CC(=CC)C(C1)C2;SWPXBVVVSFZCCC-UHFFFAOYSA-N;134.22;2.92;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC1_SC4";;;;;;;4.24;;0.42;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM425704;MM425704;NCCNCC1(CN)CN1;XFHFNPZDWHSPKY-UHFFFAOYSA-N;144.22;-2.16;;;;;DOPC;MDCG;27;1;"MARTINI bead: P3_SP2";;;;;;;-2.2;;-7.35;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM425705;MM425705;CC(F)(C#N)C(CO)=NO;ITONZBPZUNASFA-UHFFFAOYSA-N;146.12;0.06;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_P2";;;;;;;-0.24;;-8.18;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM425706;MM425706;CNn1cc(CC#N)cn1;ZNHMECGVWSWOHQ-UHFFFAOYSA-N;136.16;0.12;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP1_SN0";;;;;;;0.34;;-1.53;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM425707;MM425707;C#CC(CF)C1CC1CN;GRIVFZPZZJQHPV-UHFFFAOYSA-N;141.19;0.8;;;;;DOPC;MDCG;27;1;"MARTINI bead: SNd_Na";;;;;;;0.87;;-4.68;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM425708;MM425708;O=CN(C=O)C=CCCO;CWTSPRIWTYUGEF-UHFFFAOYSA-N;143.14;-0.5;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda_P4";;;;;;;-1.19;;-4.91;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM425709;MM425709;CC=C1CC2(C#N)CC1C2;NFMFGXLVMFJMCJ-UHFFFAOYSA-N;133.19;2.26;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC1_SN0";;;;;;;3.21;;0.46;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM425710;MM425710;C=NNC=NC=C(C)OC;PQQKAEHYNSCTMN-UHFFFAOYSA-N;141.17;0.73;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_P2";;;;;;;0.54;;-1.09;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM425711;MM425711;NCC1(CNCCO)CN1;LYPKXWNSFLWKSK-UHFFFAOYSA-N;145.21;-2.13;;;;;DOPC;MDCG;27;1;"MARTINI bead: SP2_P2";;;;;;;-1.34;;-6.14;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM425712;MM425712;NC(=CC(=O)O)N(O)C=O;INQZRASEGLQWQD-UHFFFAOYSA-N;146.1;-1.28;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_P1";;;;;;;-1.06;;-8.71;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM425713;MM425713;C=CCc1cnn(OC)c1;ZEJGCQVLPFYMCD-UHFFFAOYSA-N;138.17;0.67;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNa_SN0";;;;;;;1.17;;-1.18;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM425714;MM425714;C=CN(C=N)C=CCNC;GDEHIMVWANHLPC-UHFFFAOYSA-N;139.2;0.77;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_P2";;;;;;;-0.24;;-6.56;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM425715;MM425715;O=CC12CC(=CF)C(C1)C2;OEICNDZUGXIPMH-UHFFFAOYSA-N;140.16;1.84;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC4_SNa";;;;;;;2.2;;0.34;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM425716;MM425716;CCCNCC1(CO)CN1;LAPWVBLAFDKBSL-UHFFFAOYSA-N;144.22;-0.68;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_SP2";;;;;;;-0.24;;-5.12;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM425717;MM425717;C=NNC(=NC)C(C)=CF;SEKXPRCJHAARPY-UHFFFAOYSA-N;143.17;1.09;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_C4";;;;;;;1.37;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM425718;MM425718;COn1cc(CC#N)cn1;GHMYFYKXYUMQAV-UHFFFAOYSA-N;137.14;0.01;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNa_SN0";;;;;;;1.17;;-1.18;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM425719;MM425719;CN(C)c1n[nH]c(=O)n1N;DUIRJJVVUKBTFL-UHFFFAOYSA-N;143.15;-1.65;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP1_SP4";;;;;;;-2.01;;-5.13;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM425720;MM425720;C=CN(C=O)C=CCNC;SLICSJKVSPJNTP-UHFFFAOYSA-N;140.19;0.32;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_P2";;;;;;;-0.24;;-5.21;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM425721;MM425721;C=CC12CC(=NN)C(C1)C2;KYMLCEMLVJMXFK-UHFFFAOYSA-N;136.2;1.29;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNd_SC4";;;;;;;2.2;;0.32;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM425722;MM425722;C#CC(CF)C1CC1CF;VCWVRIJLEYMUGN-UHFFFAOYSA-N;144.16;1.81;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC5_Na";;;;;;;1.64;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM425723;MM425723;CNn1cc(NC=O)cn1;QTALEZWHSXEYAE-UHFFFAOYSA-N;140.15;-0.38;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP1_SP1";;;;;;;-0.79;;-3.13;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM425724;MM425724;NCCNCC1(CO)CN1;HDFUCCOMOWWFLB-UHFFFAOYSA-N;145.21;-2.13;;;;;DOPC;MDCG;27;1;"MARTINI bead: P3_SP2";;;;;;;-2.2;;-7.18;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM425725;MM425725;NC(CC#CC(=O)O)=NO;NWTZEVUHZRSAMX-UHFFFAOYSA-N;142.11;-0.79;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_P1";;;;;;;-1.06;;-8.71;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM425726;MM425726;CNCC=CN(C=N)C=N;FTKVGROZIWJKHJ-UHFFFAOYSA-N;140.19;0.24;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_P4";;;;;;;-1.19;;-6.54;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM425727;MM425727;C#CC(NC)C1CC1CC;MJUXECILPYWSNM-UHFFFAOYSA-N;137.23;1.25;;;;;DOPC;MDCG;27;1;"MARTINI bead: SC3_P2";;;;;;;1.46;;-2.05;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM425728;MM425728;C=CC12CC(C1)C(=NC)N2;PLOUZQBEDZMDIF-UHFFFAOYSA-N;136.2;0.95;;;;;DOPC;MDCG;27;1;"MARTINI bead: SNd_SC4";;;;;;;2.2;;-2.65;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM425729;MM425729;OCCNCC1(CO)CN1;JIQORLOPCJCRLF-UHFFFAOYSA-N;146.19;-2.1;;;;;DOPC;MDCG;27;1;"MARTINI bead: P2_SP2";;;;;;;-1.34;;-5.55;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM425730;MM425730;C=C(C)c1n[nH]c(=O)n1N;OXZBNVWQNXAAGI-UHFFFAOYSA-N;140.15;-0.68;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP1_SP4";;;;;;;-2.01;;-5.13;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM425731;MM425731;C=COc1cnn(CC)c1;BPLDHBKUFQXOFF-UHFFFAOYSA-N;138.17;1.43;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNa_SNa";;;;;;;0.87;;-2.22;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM425732;MM425732;CNCC=CN(C=O)C=O;WFDCXGAHWHPWPD-UHFFFAOYSA-N;142.16;-0.67;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1_P2";;;;;;;-1.06;;-5.87;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM425733;MM425733;CC(=NN)c1noc(=O)o1;OQQMVIRKAXOIEI-UHFFFAOYSA-N;143.1;-0.69;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nd_SP2";;;;;;;-0.24;;-3.16;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM425734;MM425734;C#CC(NC)C1CC1CN;AZASXINRDXRWRJ-UHFFFAOYSA-N;138.21;-0.2;;;;;DOPC;MDCG;27;1;"MARTINI bead: P2_SNd";;;;;;;-0.24;;-6;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM425735;MM425735;O=C(O)C#CC1CN1;UJWDVDQOISWXHD-UHFFFAOYSA-N;111.1;-0.95;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_SP1";;;;;;;-0.79;;-8.24;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM425736;MM425736;CCCNCC1(CF)CN1;YQXURUHNJIURAI-UHFFFAOYSA-N;146.21;0.3;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_SP1";;;;;;;0.04;;-4.74;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM425737;MM425737;C=COc1cnn(NC)c1;AFXIVXSSZMVGNT-UHFFFAOYSA-N;139.16;0.58;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP1_SNa";;;;;;;0.04;;-2.54;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM425738;MM425738;COCC=CN(C=N)C=N;SSYYJHJUMOBGGC-UHFFFAOYSA-N;141.17;0.66;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1_P2";;;;;;;-1.06;;-5.28;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM425739;MM425739;C#CC(NC)C1CC1CO;CECRXQJNMNDVEZ-UHFFFAOYSA-N;139.2;-0.16;;;;;DOPC;MDCG;27;1;"MARTINI bead: P2_SNda";;;;;;;-0.24;;-5.03;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM425740;MM425740;CCOC(CC#N)C(=O)O;VYMDIAGVRCAHGT-UHFFFAOYSA-N;143.14;0.39;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_P1";;;;;;;0.04;;-7.65;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM425741;MM425741;NCCNCC1(CF)CN1;MFQBJPNKTGFSKM-UHFFFAOYSA-N;147.2;-1.15;;;;;DOPC;MDCG;27;1;"MARTINI bead: P3_SP1";;;;;;;-1.93;;-6.73;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM425742;MM425742;O=CC12CC(C1)C(=NO)N2;YPTXCKOZNXGNFE-UHFFFAOYSA-N;140.14;-0.28;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP1_SNa";;;;;;;0.04;;-2.54;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM425743;MM425743;C=COc1cnn(OC)c1;YSKWPNOEEKSTQR-UHFFFAOYSA-N;140.14;0.46;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNa_SNa";;;;;;;0.87;;-2.22;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM425744;MM425744;COCC=CN(C=O)C=O;USXCPNBSVHOGHB-UHFFFAOYSA-N;143.14;-0.24;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_P2";;;;;;;-0.24;;-3.24;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM425745;MM425745;C#CC(NC)C1CC1CF;QPCQEGRDMZJIEV-UHFFFAOYSA-N;141.19;0.81;;;;;DOPC;MDCG;27;1;"MARTINI bead: P2_SC5";;;;;;;0.54;;-3.09;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM425746;MM425746;CCC1(COCCN)CN1;CJPHQJTUURPEJQ-UHFFFAOYSA-N;144.22;-0.29;;;;;DOPC;MDCG;27;1;"MARTINI bead: SNd_P2";;;;;;;-0.24;;-5.2;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM425747;MM425747;C=CC12CC(C1)C(=CC)O2;QMOLCKINSQOHPA-UHFFFAOYSA-N;136.19;2.26;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC5_SC4";;;;;;;2.97;;0.45;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM425748;MM425748;C=c1c(C)coc1=C(C)C;CYCBNUYDPBADFT-UHFFFAOYSA-N;136.19;1.19;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC4_SC5";;;;;;;2.97;;0.45;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM425749;MM425749;C=CCc1cn(CC)cn1;CMDWZMLHCIKFNB-UHFFFAOYSA-N;136.2;1.63;;;;;DOPC;MDCG;27;0;"MARTINI bead: SN0_SNa";;;;;;;1.17;;-1.17;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM425750;MM425750;C=CN(C=N)C=COCC;GFQXOEHQKWURSG-UHFFFAOYSA-N;140.19;1.55;;;;;DOPC;MDCG;27;1;"MARTINI bead: C5_P2";;;;;;;0.54;;-3.46;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM425751;MM425751;C#CC(OC)C1CC1CC;DOHGZVYASCCJJW-UHFFFAOYSA-N;138.21;1.68;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC3_Na";;;;;;;2.57;;0.45;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM425752;MM425752;C=CC12CC(C1)C(=CF)O2;KZPOTSDMKOTHGG-UHFFFAOYSA-N;140.16;2.16;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNa_SC4";;;;;;;2.2;;0.34;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM425753;MM425753;CCCOCC1(CN)CN1;COJJPHATQZGBQX-UHFFFAOYSA-N;144.22;-0.29;;;;;DOPC;MDCG;27;1;"MARTINI bead: Na_SP2";;;;;;;-0.24;;-5.16;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM425754;MM425754;CC=NN=CCOC=NN;ZXRSRANIWPRGLN-UHFFFAOYSA-N;142.16;-0.02;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_P1";;;;;;;0.81;;-0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM425755;MM425755;C=c1c(C)coc1=C(C)F;WIPDAPCZKYVRGZ-UHFFFAOYSA-N;140.16;1.1;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC5_SC5";;;;;;;2.41;;0.64;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM425756;MM425756;C#CC(CN)C1CC1NC;BYEDXKQOKFPURC-UHFFFAOYSA-N;138.21;-0.2;;;;;DOPC;MDCG;27;1;"MARTINI bead: SNd_Nd";;;;;;;0.87;;-5.05;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM425757;MM425757;NCCOCC1(CN)CN1;BDTKJZPVELOUFT-UHFFFAOYSA-N;145.21;-1.74;;;;;DOPC;MDCG;27;1;"MARTINI bead: P2_SP2";;;;;;;-1.34;;-6.59;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM425758;MM425758;C=CN(C=O)C=COCC;XCWBUQQEFYNKBW-UHFFFAOYSA-N;141.17;1.1;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_P2";;;;;;;0.54;;-1.09;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM425759;MM425759;CC=C1OC2(C=O)CC1C2;SKBRQAXSIRLOLF-UHFFFAOYSA-N;138.17;1.27;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC5_SNa";;;;;;;1.64;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM425760;MM425760;C=CCc1cn(NC)cn1;VSTOXHVMZJBRNW-UHFFFAOYSA-N;137.19;0.78;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP2_SNa";;;;;;;-0.24;;-3.24;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM425761;MM425761;C=c1c(C)coc1=C(F)F;ZHCXMGJKVJPLKQ-UHFFFAOYSA-N;144.12;1;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC5_SC5";;;;;;;2.41;;0.64;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM425762;MM425762;C#CC(CO)C1CC1NC;CUWKICUGSQAVMR-UHFFFAOYSA-N;139.2;-0.16;;;;;DOPC;MDCG;27;1;"MARTINI bead: SNd_Nda";;;;;;;0.87;;-4.37;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM425763;MM425763;NCC1(COCCO)CN1;CQIJNDODRVTIHL-UHFFFAOYSA-N;146.19;-1.7;;;;;DOPC;MDCG;27;1;"MARTINI bead: SP2_P2";;;;;;;-1.34;;-6.23;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM425764;MM425764;C=NN(C=O)C=CCCC;BCYLCESYLXRVJE-UHFFFAOYSA-N;140.19;1.37;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1_P2";;;;;;;1.8;;0.4;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM425765;MM425765;CC=C1OC2(C#N)CC1C2;YQKUOLGPYUOLMB-UHFFFAOYSA-N;135.17;1.59;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC5_SN0";;;;;;;1.94;;0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM425766;MM425766;CCCC#CCOC=NN;JQTXETAVXJFCSW-UHFFFAOYSA-N;140.19;0.71;;;;;DOPC;MDCG;27;0;"MARTINI bead: C3_P1";;;;;;;1.74;;0.29;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM425767;MM425767;C=c1c(F)coc1=C(C)C;RIGBKFRHSIMXQI-UHFFFAOYSA-N;140.16;1.02;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC4_SNa";;;;;;;2.2;;0.34;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM425768;MM425768;C#CC(CF)C1CC1NC;XVFALZNXQOOOIG-UHFFFAOYSA-N;141.19;0.81;;;;;DOPC;MDCG;27;1;"MARTINI bead: SNd_Na";;;;;;;0.87;;-4.63;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM425769;MM425769;NN=c1occ([N+](=O)[O-])o1;IJKPBXFLBWJWIJ-UHFFFAOYSA-N;145.07;-0.44;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP2_N0";;;;;;;0.06;;-2.21;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM425770;MM425770;N#CC12CC(C1)C(=CF)O2;VAKSBIRJHAGLDO-UHFFFAOYSA-N;139.13;1.5;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNa_SN0";;;;;;;1.17;;-1.18;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM425771;MM425771;C=NN(C=O)C=CCCN;AANLPBFVOZGYEO-UHFFFAOYSA-N;141.17;-0.08;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_P2";;;;;;;-0.24;;-5.61;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM425772;MM425772;C=CCc1cn(OC)cn1;FWZXPBIACOJYEZ-UHFFFAOYSA-N;138.17;0.67;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP1_SNa";;;;;;;0.04;;-2.54;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM425773;MM425773;C=c1c(F)coc1=C(C)F;NKZXMPQALWDOEK-UHFFFAOYSA-N;144.12;0.93;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC5_SNa";;;;;;;1.64;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM425774;MM425774;C#CC(NC)C1CC1NC;CTPZWAHEJSUCFJ-UHFFFAOYSA-N;138.21;-0.18;;;;;DOPC;MDCG;27;1;"MARTINI bead: SNd_P2";;;;;;;-0.24;;-5.59;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM425775;MM425775;NCCOCC1(CO)CN1;HMXALTHENHNJMS-UHFFFAOYSA-N;146.19;-1.7;;;;;DOPC;MDCG;27;1;"MARTINI bead: P2_SP2";;;;;;;-1.34;;-6.35;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM425776;MM425776;C=NN(C=O)C=CCNC;XJGJXQNNTNETGO-UHFFFAOYSA-N;141.17;-0.21;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_P2";;;;;;;-0.24;;-5.21;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM425777;MM425777;CN=c1cc(N)cnn1N;LSJSVJXTDBIICJ-UHFFFAOYSA-N;139.16;-1.29;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP1_SP2";;;;;;;-1.06;;-3.82;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM425778;MM425778;C#CCC#CCOC=NN;BFAPKZOWKZWNLB-UHFFFAOYSA-N;136.15;-0.07;;;;;DOPC;MDCG;27;0;"MARTINI bead: P3_C3";;;;;;;0.6;;-0.8;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM425779;MM425779;C=c1c(F)coc1=C(F)F;OZMORMOKQJLGNP-UHFFFAOYSA-N;148.08;0.83;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC5_SNa";;;;;;;1.64;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM425780;MM425780;C#CC(OC)C1CC1NC;STQHNXCTPZCSHP-UHFFFAOYSA-N;139.2;0.24;;;;;DOPC;MDCG;27;1;"MARTINI bead: SNd_Na";;;;;;;0.87;;-4.39;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM425781;MM425781;C=NN(C=O)C=COCC;YRBJILZPAPAJSF-UHFFFAOYSA-N;142.16;0.57;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_P2";;;;;;;0.54;;-1.09;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM425782;MM425782;CCCOCC1(CF)CN1;VIKJRIYKLHUQSC-UHFFFAOYSA-N;147.19;0.72;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_SP1";;;;;;;0.04;;-2.54;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM425783;MM425783;C=CC12CC(C1)C(=NO)O2;SVWXIMCGSGNFQO-UHFFFAOYSA-N;139.15;1.14;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP1_SC4";;;;;;;1.37;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM425784;MM425784;CCn1cnc(NC=N)c1;DUGDYQMIKXVJJK-UHFFFAOYSA-N;138.17;0.92;;;;;DOPC;MDCG;27;0;"MARTINI bead: SN0_SP2";;;;;;;0.06;;-2.21;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM425785;MM425785;CC1CC1CCC(N)CN;VFYRYEADNQLQNG-UHFFFAOYSA-N;142.25;0.71;;;;;DOPC;MDCG;27;1;"MARTINI bead: SC5_P3";;;;;;;-0.33;;-4.4;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM425786;MM425786;C#CC(CC)C1CC1OC;CSDYZIDXRREFEF-UHFFFAOYSA-N;138.21;1.68;;;;;DOPC;MDCG;27;0;"MARTINI bead: C3_SNa";;;;;;;2.57;;0.45;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM425787;MM425787;C=CN(C=C)C=NCCC;QSFIGTRUWMAWFC-UHFFFAOYSA-N;138.21;2.01;;;;;DOPC;MDCG;27;1;"MARTINI bead: C4_Nd";;;;;;;2.2;;-2.11;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM425788;MM425788;O=CC12CC(C1)C(=NO)O2;MPPSKVJQDLMHDW-UHFFFAOYSA-N;141.13;0.15;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP1_SNa";;;;;;;0.04;;-2.54;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM425789;MM425789;NCCOCC1(CF)CN1;LFJIEXCPQLUFTJ-UHFFFAOYSA-N;148.18;-0.73;;;;;DOPC;MDCG;27;1;"MARTINI bead: P2_SP1";;;;;;;-1.06;;-5.86;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM425790;MM425790;CNn1cnc(NC=N)c1;UFENGJFDBZDJMU-UHFFFAOYSA-N;139.16;0.08;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP2_SP2";;;;;;;-1.34;;-4.31;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM425791;MM425791;C=CN(C=C)C=NCCO;NFRIEOPGFLDXCS-UHFFFAOYSA-N;140.19;0.6;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1_Nd";;;;;;;0.04;;-4.75;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM425792;MM425792;CC1CC1CCC(N)CO;RMNRHHPACSZYAB-UHFFFAOYSA-N;143.23;0.74;;;;;DOPC;MDCG;27;1;"MARTINI bead: SC5_P2";;;;;;;0.54;;-3.5;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM425793;MM425793;C#CC(CO)C1CC1OC;UPCSUADCCMQRMN-UHFFFAOYSA-N;140.18;0.26;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNa_Nda";;;;;;;0.87;;-1.99;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM425794;MM425794;N#CC12CC(C1)C(=NO)O2;RXKVTMKSAZQSDN-UHFFFAOYSA-N;138.13;0.48;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP1_SN0";;;;;;;0.34;;-1.53;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM425795;MM425795;C=C(F)c1coc(=NN)o1;RPSCOKVGECFQIL-UHFFFAOYSA-N;144.11;0.59;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP2_C5";;;;;;;0.54;;-1.09;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM425796;MM425796;COn1cnc(NC=N)c1;XUNBASMLAWYZNL-UHFFFAOYSA-N;140.15;-0.04;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP1_SP2";;;;;;;-1.06;;-3.82;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM425797;MM425797;C=CN(C=C)C=NCCF;JZJMSUVLYRSRGR-UHFFFAOYSA-N;142.18;1.57;;;;;DOPC;MDCG;27;1;"MARTINI bead: Na_Nd";;;;;;;0.87;;-3.88;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM425798;MM425798;C#CC(CN)C1NC1CC;AVJDENLKEDVZNM-UHFFFAOYSA-N;138.21;-0.06;;;;;DOPC;MDCG;27;1;"MARTINI bead: SNd_Nd";;;;;;;0.87;;-4.24;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM425799;MM425799;CC1CC1CCC(N)CF;RMOZDQNOIBHVLB-UHFFFAOYSA-N;145.22;1.72;;;;;DOPC;MDCG;27;1;"MARTINI bead: SC5_P1";;;;;;;0.81;;-2.24;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM425800;MM425800;C=CC12CC(=CC)C(C1)N2;IMYVALJPWDNLHR-UHFFFAOYSA-N;135.21;1.62;;;;;DOPC;MDCG;27;1;"MARTINI bead: SC1_SNd";;;;;;;2.91;;0.38;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM425801;MM425801;C=COc1cn(CC)cn1;ZHYSNQHQEIGXEM-UHFFFAOYSA-N;138.17;1.43;;;;;DOPC;MDCG;27;0;"MARTINI bead: SN0_SNa";;;;;;;1.17;;-1.18;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM425802;MM425802;N=c1cnoc(=NN)nn1;DFVQLJUOCBKNAA-UHFFFAOYSA-N;140.11;-2.28;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP3_SP3";;;;;;;-3.07;;-6.15;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM425803;MM425803;C=CN(C=N)C=NCCO;OXHNSDXOMGZKMN-UHFFFAOYSA-N;141.17;0.06;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1_P2";;;;;;;-1.06;;-5.22;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM425804;MM425804;CC1CC1CCC(O)CN;WKCSHEIQDXGYCU-UHFFFAOYSA-N;143.23;0.74;;;;;DOPC;MDCG;27;1;"MARTINI bead: SC5_P2";;;;;;;0.54;;-3.26;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM425805;MM425805;CC=C1CC2(C#N)CC1N2;MKMHPSQEIGLBLP-UHFFFAOYSA-N;134.18;0.96;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC1_SP2";;;;;;;1.8;;0.4;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM425806;MM425806;C#CC(CN)C1NC1CN;FFWSOWUVDFQWKQ-UHFFFAOYSA-N;139.2;-1.51;;;;;DOPC;MDCG;27;1;"MARTINI bead: SP2_Nd";;;;;;;-0.24;;-5.5;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM425807;MM425807;C=COc1cn(NC)cn1;VINVHJBDCNGKAJ-UHFFFAOYSA-N;139.16;0.58;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP2_SNa";;;;;;;-0.24;;-3.24;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM425808;MM425808;COCOCC1(CF)CN1;ALDUCRGERBGQQD-UHFFFAOYSA-N;149.17;-0.08;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_SP1";;;;;;;-0.79;;-3.13;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM425809;MM425809;CCC1(CO)CC=C(C)C1;OLYAXDGLJHOOCJ-UHFFFAOYSA-N;140.23;2.12;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC5_SC4";;;;;;;2.97;;0.45;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM425810;MM425810;C#CC(CO)C1NC1CN;GFDNQURPMNUKHF-UHFFFAOYSA-N;140.19;-1.47;;;;;DOPC;MDCG;27;1;"MARTINI bead: SP2_Nda";;;;;;;-0.24;;-5.25;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM425811;MM425811;N#CC12CC(=CF)C(C1)N2;UVLJNPBCNJHANK-UHFFFAOYSA-N;138.15;0.87;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC4_SP2";;;;;;;1.09;;-0.38;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM425812;MM425812;CC1CC1CCC(O)CO;FXNZMKXMECGBBN-UHFFFAOYSA-N;144.21;0.78;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC5_P3";;;;;;;-0.33;;-2.01;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM425813;MM425813;C=COc1cn(OC)cn1;HAKXFZUEDZFQRK-UHFFFAOYSA-N;140.14;0.46;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP1_SNa";;;;;;;0.04;;-2.54;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM425814;MM425814;CCCCCC1(CC)CO1;JKOYNCNDLLVTNO-UHFFFAOYSA-N;142.24;2.75;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1_SNa";;;;;;;2.91;;0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM425815;MM425815;C#CC(CN)C1NC1CO;GENKQOXMVMTXKQ-UHFFFAOYSA-N;140.19;-1.47;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_SP2";;;;;;;-0.24;;-5.28;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM425816;MM425816;CCCN=CN(C=N)C=O;KXWKHAVRNDIPBS-UHFFFAOYSA-N;141.17;0.49;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4_P4";;;;;;;0.15;;-2.18;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM425817;MM425817;CC=C1CC2(C#N)CC1O2;UYBBNDXVTLHZRI-UHFFFAOYSA-N;135.17;1.39;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC1_SP1";;;;;;;2.08;;0.48;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM425818;MM425818;CC1CC1CCC(F)CN;UDJRKRVIYSXDHR-UHFFFAOYSA-N;145.22;1.72;;;;;DOPC;MDCG;27;1;"MARTINI bead: SC5_P1";;;;;;;0.81;;-2.01;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM425819;MM425819;C=CCc1cn(CC)nn1;DTHRZNKIVNFMNV-UHFFFAOYSA-N;137.19;1.03;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNa_SNa";;;;;;;0.87;;-2.22;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM425820;MM425820;CCC1(CCCCN)CO1;GFIOFFKQECJIPY-UHFFFAOYSA-N;143.23;1.29;;;;;DOPC;MDCG;27;1;"MARTINI bead: SNa_Nd";;;;;;;0.87;;-4.68;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM425821;MM425821;C=NOC(=O)C(C=O)=CN;QTMJNISKMIQBBI-UHFFFAOYSA-N;142.11;-0.81;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_Nda";;;;;;;-0.24;;-3.31;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM425822;MM425822;C=CC(C)NN=COCC;ATTQRHZCUXGFIT-UHFFFAOYSA-N;142.2;1.13;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_Nd";;;;;;;0.87;;-1.88;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM425823;MM425823;C#CC12CC(=CC)C(C1)C2;KHWSUXQZHWJXGF-UHFFFAOYSA-N;132.21;2.37;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC1_SC5";;;;;;;3.68;;0.46;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM425824;MM425824;CC1CC1CCC(F)CO;UFSSLRHOLUWNAX-UHFFFAOYSA-N;146.21;1.75;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC5_P1";;;;;;;0.81;;-0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM425825;MM425825;CCn1cc(CC#N)nn1;NZJXKRNZJKTTRJ-UHFFFAOYSA-N;136.16;0.36;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNa_SNa";;;;;;;0.87;;-2.22;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM425826;MM425826;C#CC(CC)C1NC1CF;XGOXBCWQBBMTNC-UHFFFAOYSA-N;141.19;0.96;;;;;DOPC;MDCG;27;0;"MARTINI bead: C3_SP1";;;;;;;1.74;;0.3;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM425827;MM425827;C=NN=C1CC=C(C#N)C1;AXERYGJSJWGMCF-UHFFFAOYSA-N;133.15;1.29;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC5_SN0";;;;;;;1.94;;0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM425828;MM425828;O=CN(C=O)C=NCCO;SGABFPZXRVZLAP-UHFFFAOYSA-N;144.13;-1.38;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_P4";;;;;;;-2.01;;-5.13;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM425829;MM425829;CC1CC1CCC(F)CF;QJRMXUQDSNJCGM-UHFFFAOYSA-N;148.2;2.73;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC5_Na";;;;;;;1.64;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM425830;MM425830;C#CC12CC(=NN)C(C1)C2;WJQZPBIHOVJFQY-UHFFFAOYSA-N;134.18;0.73;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNd_SC5";;;;;;;1.64;;0.02;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM425831;MM425831;C=CCc1cn(NC)nn1;LLEPPTHBIWWLRK-UHFFFAOYSA-N;138.17;0.18;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP2_SNa";;;;;;;-0.24;;-3.24;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM425832;MM425832;C#CC(CN)C1NC1CF;RQUICHOZXQZHBM-UHFFFAOYSA-N;142.18;-0.5;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_SP1";;;;;;;0.04;;-4.76;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM425833;MM425833;CCCCCC1(CN)CO1;XNFRBVDTDAVNFB-UHFFFAOYSA-N;143.23;1.29;;;;;DOPC;MDCG;27;1;"MARTINI bead: C1_SP2";;;;;;;1.8;;-0.95;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM425834;MM425834;N=C(C=O)NN=CCCF;NTXREGVRKGPGHD-UHFFFAOYSA-N;145.14;0.1;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4_P3";;;;;;;0.23;;-1.03;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM425835;MM425835;C#CC12CC(C1)C(=CC)O2;UKLPUNINURUZMX-UHFFFAOYSA-N;134.18;1.7;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC5_SC5";;;;;;;2.41;;0.64;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM425836;MM425836;NC1CC1CCC(O)CO;MHDCAJXORQJMHQ-UHFFFAOYSA-N;145.2;-0.53;;;;;DOPC;MDCG;27;1;"MARTINI bead: SNd_P3";;;;;;;-1.1;;-6.54;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM425837;MM425837;CNn1cc(CC#N)nn1;HWGBIVCJWPIKPC-UHFFFAOYSA-N;137.15;-0.48;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP2_SNa";;;;;;;-0.24;;-3.24;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM425838;MM425838;NCC1(CCCCO)CO1;HZFMKCAFMRXPBK-UHFFFAOYSA-N;145.2;-0.12;;;;;DOPC;MDCG;27;1;"MARTINI bead: SP2_Nda";;;;;;;-0.24;;-5.36;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM425839;MM425839;C#CC(NC)C1NC1CN;JZADZCPPRPNGOH-UHFFFAOYSA-N;139.2;-1.49;;;;;DOPC;MDCG;27;1;"MARTINI bead: P2_SP2";;;;;;;-1.34;;-6.29;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM425840;MM425840;C=NN(C=N)C=NCCF;LTFCXGXNDZASOB-UHFFFAOYSA-N;144.15;0.51;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_P2";;;;;;;-0.24;;-3.24;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM425841;MM425841;C=NN=C(C)C(CF)=NN;DPWUONPCVYVHEV-UHFFFAOYSA-N;144.15;0.35;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_P1";;;;;;;0.81;;-0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM425842;MM425842;CC(CN)OCC1CC1C;KDFRNWOGYUYYRI-UHFFFAOYSA-N;143.23;1.01;;;;;DOPC;MDCG;27;1;"MARTINI bead: P2_SC5";;;;;;;0.54;;-3.16;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM425843;MM425843;NCC1(CCCCF)CO1;KAPOKYQMOJRUME-UHFFFAOYSA-N;147.19;0.85;;;;;DOPC;MDCG;27;1;"MARTINI bead: SP2_C4";;;;;;;1.09;;-2.39;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM425844;MM425844;C=CCc1cn(OC)nn1;VRPAHYKVOYHUKJ-UHFFFAOYSA-N;139.16;0.07;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP1_SNa";;;;;;;0.04;;-2.54;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM425845;MM425845;C#CC(OC)C1NC1CN;VZNSYJQFWVIDGB-UHFFFAOYSA-N;140.19;-1.07;;;;;DOPC;MDCG;27;1;"MARTINI bead: Na_SP2";;;;;;;-0.24;;-5.18;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM425846;MM425846;C=NN(C=O)C=NCCN;DBWOZFIBUMRMRZ-UHFFFAOYSA-N;142.16;-0.95;;;;;DOPC;MDCG;27;1;"MARTINI bead: P2_P2";;;;;;;-1.34;;-6.05;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM425847;MM425847;C#CC12CC(C1)C(=NO)O2;DWCXPNYYOUFWQR-UHFFFAOYSA-N;137.14;0.59;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP1_SC5";;;;;;;0.81;;-0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM425848;MM425848;CNC(C)CCC1OC1C;USRDRGWBTYIEGQ-UHFFFAOYSA-N;143.23;1.16;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_SNa";;;;;;;0.87;;-5.08;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM425849;MM425849;C#CCCNN=C(C)C#N;KHJSVMRBFMAWQH-UHFFFAOYSA-N;135.17;0.5;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_C5";;;;;;;0.54;;-1.09;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM425850;MM425850;CCCCCC1(CO)CO1;FIIKHWGSDYDXDF-UHFFFAOYSA-N;144.21;1.33;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1_SP2";;;;;;;1.8;;0.4;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM425851;MM425851;COn1cc(CC#N)nn1;RFJGDKAYEMRWJQ-UHFFFAOYSA-N;138.13;-0.6;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP1_SNa";;;;;;;0.04;;-2.54;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM425852;MM425852;C#CC(CC)C1OC1CC;TZAOGPYHJNIXJG-UHFFFAOYSA-N;138.21;1.82;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNa_C3";;;;;;;2.57;;0.45;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM425853;MM425853;C#CC12CC(=CC)C(C1)O2;DAKKUGXYFDYTJY-UHFFFAOYSA-N;134.18;1.5;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC1_SNa";;;;;;;2.91;;0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM425854;MM425854;C=CC(N)CCC1CC1C;LTSKARBTPKZNPM-UHFFFAOYSA-N;139.24;1.94;;;;;DOPC;MDCG;27;1;"MARTINI bead: SC5_Nd";;;;;;;1.64;;-2.39;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM425855;MM425855;C=NN(C=O)C=NCCF;NWSNJKXSAICQDM-UHFFFAOYSA-N;145.14;0.06;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_P2";;;;;;;-0.24;;-3.24;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM425856;MM425856;CCn1cc(NC=N)nn1;REUZQCKQHXXQDE-UHFFFAOYSA-N;139.16;0.32;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNa_SP2";;;;;;;-0.24;;-3.24;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM425857;MM425857;C#CC(CO)C1OC1CC;VGLQAQZIFSWLMO-UHFFFAOYSA-N;140.18;0.41;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNa_Nda";;;;;;;0.87;;-1.99;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM425858;MM425858;OCCCCC1(CO)CO1;OBCWPEPVJVQLII-UHFFFAOYSA-N;146.19;-0.09;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda_SP2";;;;;;;-0.24;;-3.31;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM425859;MM425859;C#CC12CC(=NN)C(C1)O2;IUSDVDOLRWNUNK-UHFFFAOYSA-N;136.15;-0.13;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNd_SNa";;;;;;;0.87;;-1.88;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM425860;MM425860;CNc1[nH]nc(N)c1N;HDQLWNZEXKQDBO-UHFFFAOYSA-N;127.15;-0.38;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNd_SP2";;;;;;;-0.24;;-3.16;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM425861;MM425861;C=CC(F)C(=NOC)OC;QLYMFLUPTRFDLI-UHFFFAOYSA-N;147.15;1.12;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_Na";;;;;;;0.87;;-2.22;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM425862;MM425862;CNn1cc(NC=N)nn1;QJVPWPFDXLWFTK-UHFFFAOYSA-N;140.15;-0.53;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP2_SP2";;;;;;;-1.34;;-4.31;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM425863;MM425863;C#CC(CC)C1OC1CN;BPHPSPPLXWFQMP-UHFFFAOYSA-N;139.2;0.37;;;;;DOPC;MDCG;27;1;"MARTINI bead: C3_SP2";;;;;;;1.46;;-2.02;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM425864;MM425864;CCC1=CC2(CC)CC1C2;VSJTUHSFIIBCDZ-UHFFFAOYSA-N;136.24;3.14;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC2_SC2";;;;;;;4.78;;0.59;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM425865;MM425865;CCCCCC1(CF)CO1;KIWFAIVTGWWKOG-UHFFFAOYSA-N;146.21;2.31;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1_SNa";;;;;;;2.91;;0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM425866;MM425866;CC1CC1CCC(O)C=O;QYRAOIDBJGYMGV-UHFFFAOYSA-N;142.2;0.98;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC5_P2";;;;;;;0.54;;-1.09;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM425867;MM425867;C=CN(C=NOCC)N=C;NMSQMBVLPTYTAD-UHFFFAOYSA-N;141.17;1.03;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_N0";;;;;;;0.34;;-1.53;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM425868;MM425868;C#CC(CN)C1OC1CN;BDSRVQOXBAQMNO-UHFFFAOYSA-N;140.19;-1.08;;;;;DOPC;MDCG;27;1;"MARTINI bead: SP2_Nd";;;;;;;-0.24;;-5.68;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM425869;MM425869;COn1cc(NC=N)nn1;TYLKCXGBMGPZPE-UHFFFAOYSA-N;141.13;-0.64;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP1_SP2";;;;;;;-1.06;;-3.82;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM425870;MM425870;CCC12C=C(CN)C(C1)C2;YDCBOBJMIPNFBE-UHFFFAOYSA-N;137.23;1.69;;;;;DOPC;MDCG;27;1;"MARTINI bead: SC2_SNd";;;;;;;2.83;;-0.23;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM425871;MM425871;C=CC(F)CCC1CC1C;FBWVMFQXALHCHD-UHFFFAOYSA-N;142.22;2.95;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC5_C4";;;;;;;2.97;;0.45;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM425872;MM425872;CNCCCC1(CN)CO1;WXACXUPXZKSMIG-UHFFFAOYSA-N;144.22;-0.29;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_SP2";;;;;;;-0.24;;-6.29;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM425873;MM425873;C=CN(C=N)N=CCCC;XGWULMLSQBRIDM-UHFFFAOYSA-N;139.2;1.82;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1_P3";;;;;;;0.94;;0.05;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM425874;MM425874;C=COc1cn(CC)nn1;MCIWOYJDMQXCNH-UHFFFAOYSA-N;139.16;0.82;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNa_SP1";;;;;;;0.04;;-2.54;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM425875;MM425875;C#CC(CC)C1OC1CO;DMRBVOMQICLPLA-UHFFFAOYSA-N;140.18;0.41;;;;;DOPC;MDCG;27;0;"MARTINI bead: C3_SP2";;;;;;;1.46;;-0.15;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM425876;MM425876;CNc1cnc(=O)n(C)n1;DUKDQNCBMHHTRJ-UHFFFAOYSA-N;140.15;-0.78;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP1_SP2";;;;;;;-1.06;;-3.82;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM425877;MM425877;C=CC(C)NCC1CC1C;DVFYOWXJIKKEGH-UHFFFAOYSA-N;139.24;1.81;;;;;DOPC;MDCG;27;1;"MARTINI bead: SC5_Nd";;;;;;;1.64;;-2.54;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM425878;MM425878;CCNCCC1(CC)CO1;XOUYINZJJVCZET-UHFFFAOYSA-N;143.23;1.17;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_SNa";;;;;;;0.87;;-4.86;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM425879;MM425879;C=CN(C=O)N=CCCC;BQFDRNJLXDVFOK-UHFFFAOYSA-N;140.19;1.37;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1_P2";;;;;;;1.8;;0.4;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM425880;MM425880;C=COc1cn(NC)nn1;BJLVCVKVZPWOSR-UHFFFAOYSA-N;140.15;-0.03;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP2_SP1";;;;;;;-1.06;;-3.82;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM425881;MM425881;C#CC(CC)C1OC1CF;DOFSCPQYKKGKAF-UHFFFAOYSA-N;142.17;1.38;;;;;DOPC;MDCG;27;0;"MARTINI bead: C3_SNa";;;;;;;2.57;;0.45;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM425882;MM425882;CCC12C=C(CF)C(C1)C2;LPQBUONJUKCDBQ-UHFFFAOYSA-N;140.2;2.7;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC2_SC5";;;;;;;3.6;;0.34;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM425883;MM425883;CC1CC1CCN(C)C=N;XGAJJOWABBGWLN-UHFFFAOYSA-N;140.23;1.57;;;;;DOPC;MDCG;27;1;"MARTINI bead: SC5_P2";;;;;;;0.54;;-5.54;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM425884;MM425884;CCNCCC1(CN)CO1;DUHKVOVDBRSJTR-UHFFFAOYSA-N;144.22;-0.29;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_SP2";;;;;;;-0.24;;-6.16;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM425885;MM425885;N=CN(C=N)N=CCCN;OTEZJFUWBIFXNB-UHFFFAOYSA-N;141.18;-0.16;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_P3";;;;;;;-1.1;;-6.04;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM425886;MM425886;C=COc1cn(OC)nn1;YPNWONVPJDIBJT-UHFFFAOYSA-N;141.13;-0.14;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP1_SP1";;;;;;;-0.79;;-3.13;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM425887;MM425887;C#CC(NC)C1OC1CC;XWYXICWJCBTCNB-UHFFFAOYSA-N;139.2;0.39;;;;;DOPC;MDCG;27;1;"MARTINI bead: SNa_P2";;;;;;;-0.24;;-4.32;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM425888;MM425888;CC1CC1CCN(C)C=O;NHWIUHPKFUDBRJ-UHFFFAOYSA-N;141.21;1.12;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC5_P2";;;;;;;0.54;;-1.09;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM425889;MM425889;CCC1=CC2(CN)CC1C2;LTPKSXRRRPRZNG-UHFFFAOYSA-N;137.23;1.69;;;;;DOPC;MDCG;27;1;"MARTINI bead: SC2_SNd";;;;;;;2.83;;-0.43;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM425890;MM425890;CCNCCC1(CO)CO1;VRCFHCLBRLQVIY-UHFFFAOYSA-N;145.2;-0.25;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_SP1";;;;;;;0.04;;-5.31;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM425891;MM425891;CC1CC1CCN(N)C=N;AFVWPXVLUOVHDT-UHFFFAOYSA-N;141.22;0.82;;;;;DOPC;MDCG;27;1;"MARTINI bead: SC5_P3";;;;;;;-0.33;;-4.65;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM425892;MM425892;C=NN=C(NCCF)OC;UENQYFAZJYUVPL-UHFFFAOYSA-N;147.15;0.16;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda_Na";;;;;;;0.87;;-1.99;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM425893;MM425893;C=CCc1ccn(CC)n1;FLGCTHZUAGEWGT-UHFFFAOYSA-N;136.2;1.63;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNa_SN0";;;;;;;1.17;;-1.18;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM425894;MM425894;C#CC(NC)C1OC1CN;BSUHBJBTARZGFB-UHFFFAOYSA-N;140.19;-1.07;;;;;DOPC;MDCG;27;1;"MARTINI bead: P2_SP2";;;;;;;-1.34;;-6.35;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM425895;MM425895;NCC1=CC2(CN)CC1C2;MPVFWXRNKALFHD-UHFFFAOYSA-N;138.21;0.24;;;;;DOPC;MDCG;27;1;"MARTINI bead: SNd_SNd";;;;;;;0.87;;-4.78;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM425896;MM425896;CCNCCC1(CF)CO1;DYLSKGFPBLTVTR-UHFFFAOYSA-N;147.19;0.72;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_SNa";;;;;;;0.87;;-4.86;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM425897;MM425897;CCn1ccc(CC#N)n1;ZXXDFNZUOONVLE-UHFFFAOYSA-N;135.17;0.97;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNa_SN0";;;;;;;1.17;;-1.18;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM425898;MM425898;N=CN(C=N)N=CCCF;LUDCEGHRUJTIHH-UHFFFAOYSA-N;144.15;0.85;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda_P2";;;;;;;-0.24;;-3.31;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM425899;MM425899;C#CC(NC)C1OC1CF;AMMSBFJWXZONST-UHFFFAOYSA-N;143.16;-0.06;;;;;DOPC;MDCG;27;1;"MARTINI bead: P2_SNa";;;;;;;-0.24;;-4.32;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM425900;MM425900;CC1CC1CCN(N)C=O;RBWTXYUASVAIPT-UHFFFAOYSA-N;142.2;0.36;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC5_P4";;;;;;;-0.41;;-2.78;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM425901;MM425901;NCC12C=C(CO)C(C1)C2;PEPAMWYXHSMFNL-UHFFFAOYSA-N;139.2;0.27;;;;;DOPC;MDCG;27;1;"MARTINI bead: SNd_SNda";;;;;;;0.87;;-4.37;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM425902;MM425902;CCOCCC1(CC)CO1;UUELVIIHEWYNSK-UHFFFAOYSA-N;144.21;1.59;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_SNa";;;;;;;1.64;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM425903;MM425903;C=CCc1ccn(NC)n1;ZHDUGPDZKFQUJV-UHFFFAOYSA-N;137.19;0.78;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP1_SN0";;;;;;;0.34;;-1.53;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM425904;MM425904;CCCC=NN(C=N)C=O;QKBSNBCZQTVSSK-UHFFFAOYSA-N;141.17;0.84;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_P2";;;;;;;0.54;;-1.09;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM425905;MM425905;CC1CC1CCN(O)C=N;XPSUKIGDOFOWKC-UHFFFAOYSA-N;142.2;1.33;;;;;DOPC;MDCG;27;1;"MARTINI bead: SC5_P2";;;;;;;0.54;;-2.33;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM425906;MM425906;C#CC(CN)C1CN1CC;ZAEJKSWWDCMQHE-UHFFFAOYSA-N;138.21;-0.1;;;;;DOPC;MDCG;27;1;"MARTINI bead: SNd_Nd";;;;;;;0.87;;-4.24;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM425907;MM425907;NCC12C=C(CF)C(C1)C2;QMIPTDKPBLEPEA-UHFFFAOYSA-N;141.19;1.25;;;;;DOPC;MDCG;27;1;"MARTINI bead: SNd_SC5";;;;;;;1.64;;-2.35;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM425908;MM425908;CCOCCC1(CN)CO1;SNQNXRWMTCZMSS-UHFFFAOYSA-N;145.2;0.14;;;;;DOPC;MDCG;27;1;"MARTINI bead: C5_SP2";;;;;;;0.54;;-3.13;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM425909;MM425909;CNn1ccc(CC#N)n1;JQDHVAWPGBSMAP-UHFFFAOYSA-N;136.16;0.12;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP1_SN0";;;;;;;0.34;;-1.53;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM425910;MM425910;N=CN(C=O)N=CCCN;HPOHGDGVXBTUAY-UHFFFAOYSA-N;142.16;-0.61;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_P4";;;;;;;-1.19;;-6.93;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM425911;MM425911;C=NN(C)CCC1CC1C;QWMNJMWCWHWPED-UHFFFAOYSA-N;140.23;1.58;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC5_P1";;;;;;;0.81;;-0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM425912;MM425912;C=C1COC(NC)=NC1=N;UZTZIESUHDSAAN-UHFFFAOYSA-N;139.16;0.13;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNda_SP1";;;;;;;0.04;;-2.73;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM425913;MM425913;C#CC1NN=C(C#N)C1=C;PGUFZETWMZRTKC-UHFFFAOYSA-N;131.14;0.03;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP1_SP1";;;;;;;-0.79;;-3.13;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM425914;MM425914;C=CCc1ccn(OC)n1;XBPALWFMKKLRNL-UHFFFAOYSA-N;138.17;0.67;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNa_SN0";;;;;;;1.17;;-1.18;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM425915;MM425915;CCCNCC1(CC)CO1;FLCUVADWNRIPON-UHFFFAOYSA-N;143.23;1.17;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_SNa";;;;;;;0.87;;-4.47;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM425916;MM425916;C=C(F)C(=NN)OC=NN;IHHDJLIQKQGMOP-UHFFFAOYSA-N;146.13;-0.34;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_C5";;;;;;;0.54;;-1.09;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM425917;MM425917;CC1CC1CNN(C)C=N;KXSHDDRPQZUEKW-UHFFFAOYSA-N;141.22;0.69;;;;;DOPC;MDCG;27;1;"MARTINI bead: SC5_P3";;;;;;;-0.33;;-4.81;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM425918;MM425918;NCC1=CC2(CO)CC1C2;YAWSXZKBJXBCJV-UHFFFAOYSA-N;139.2;0.27;;;;;DOPC;MDCG;27;1;"MARTINI bead: SNd_SNda";;;;;;;0.87;;-4.15;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM425919;MM425919;C#CC(NC)C1CN1CC;XWRDQBTWSYLXML-UHFFFAOYSA-N;138.21;-0.09;;;;;DOPC;MDCG;27;1;"MARTINI bead: SNd_P2";;;;;;;-0.24;;-4.53;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM425920;MM425920;CCC1(CNCCN)CO1;QMSAVLXOUNROGL-UHFFFAOYSA-N;144.22;-0.29;;;;;DOPC;MDCG;27;1;"MARTINI bead: SNa_P3";;;;;;;-1.1;;-6.45;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM425921;MM425921;COn1ccc(CC#N)n1;WTVZMQOEKORMIS-UHFFFAOYSA-N;137.14;0.01;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNa_SN0";;;;;;;1.17;;-1.18;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM425922;MM425922;NCCC=NN(C=O)C=O;RLPGMAIPUMBHME-UHFFFAOYSA-N;143.15;-1.06;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_P3";;;;;;;-1.1;;-6.04;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM425923;MM425923;C#CC(OC)C1CN1CC;ZJOQAZAWXQCEHH-UHFFFAOYSA-N;139.2;0.34;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNd_Na";;;;;;;0.87;;-1.88;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM425924;MM425924;CC1=NN(C=N)CCC1=O;RLLADCDEWWRFJT-UHFFFAOYSA-N;139.16;0.24;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP1_SP1";;;;;;;-0.79;;-3.13;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM425925;MM425925;CC1CC1CON(C)C=N;RWEQPEZSROZIBX-UHFFFAOYSA-N;142.2;1.11;;;;;DOPC;MDCG;27;1;"MARTINI bead: SC5_P2";;;;;;;0.54;;-2.48;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM425926;MM425926;CCCNCC1(CN)CO1;GINBSLPUHZHFJP-UHFFFAOYSA-N;144.22;-0.29;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_SP2";;;;;;;-0.24;;-5.5;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM425927;MM425927;C=COc1ccn(CC)n1;UMQNIBGEKKDYGX-UHFFFAOYSA-N;138.17;1.43;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNa_SNa";;;;;;;0.87;;-2.22;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM425928;MM425928;C=NNC=C(C=O)C(=C)C;JREMUGRLXDEMFX-UHFFFAOYSA-N;138.17;0.85;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_P1";;;;;;;0.81;;-0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM425929;MM425929;C#CC(CN)N1CC1CC;OAMMGRYDASLJMH-UHFFFAOYSA-N;138.21;0.04;;;;;DOPC;MDCG;27;1;"MARTINI bead: SNd_Nd";;;;;;;0.87;;-3.73;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM425930;MM425930;CN=NC1=CNN(C=O)C1;GQXUHHARTKARRB-UHFFFAOYSA-N;140.15;-0.11;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP1_SP2";;;;;;;-1.06;;-3.82;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM425931;MM425931;CC1OC1CCN(C)C=O;AHIORIQYEOSZDH-UHFFFAOYSA-N;143.19;0.25;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNa_P2";;;;;;;-0.24;;-3.24;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM425932;MM425932;C=COc1ccn(NC)n1;MFDPWPIZIFXSFK-UHFFFAOYSA-N;139.16;0.58;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP1_SNa";;;;;;;0.04;;-2.54;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM425933;MM425933;NCC1(CNCCO)CO1;SMZZKXVXCVUEBG-UHFFFAOYSA-N;146.19;-1.7;;;;;DOPC;MDCG;27;1;"MARTINI bead: SP2_P3";;;;;;;-2.2;;-7.1;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM425934;MM425934;CNCC=NN(C=N)C=O;RNIAGJCDNLWNTE-UHFFFAOYSA-N;142.16;-0.74;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_P4";;;;;;;-1.19;;-5.98;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM425935;MM425935;C#CC(CC)N1CC1CN;WDPMYRMKUGHAAI-UHFFFAOYSA-N;138.21;0.04;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_SP2";;;;;;;-0.24;;-5.1;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM425936;MM425936;CC(C#N)CCC1CN1C;KOMYPJCTIXMLKU-UHFFFAOYSA-N;138.21;1.24;;;;;DOPC;MDCG;27;0;"MARTINI bead: N0_SNd";;;;;;;1.17;;-1.04;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM425937;MM425937;CCC1=CC2(CF)CC1C2;NCYBQKIJVCXMDX-UHFFFAOYSA-N;140.2;2.7;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC2_SC5";;;;;;;3.6;;0.34;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM425938;MM425938;C=CCc1cnn(CC)n1;WJDDJSTZUSZAQR-UHFFFAOYSA-N;137.19;1.03;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNa_SP1";;;;;;;0.04;;-2.54;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM425939;MM425939;CCCNCC1(CO)CO1;ORSKKNTWDVEBIJ-UHFFFAOYSA-N;145.2;-0.25;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_SP2";;;;;;;-0.24;;-5.23;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM425940;MM425940;C#CC(CN)N1CC1CN;SIRXHCULNVFUQJ-UHFFFAOYSA-N;139.2;-1.41;;;;;DOPC;MDCG;27;1;"MARTINI bead: SP2_Nd";;;;;;;-0.24;;-5.27;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM425941;MM425941;CNCC=NN(C=O)C=O;YCIHBMYLQFOTML-UHFFFAOYSA-N;143.15;-1.19;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1_P2";;;;;;;-1.06;;-4.92;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM425942;MM425942;NCC1=CC2(CF)CC1C2;QOOOQYQPDJIVNT-UHFFFAOYSA-N;141.19;1.25;;;;;DOPC;MDCG;27;1;"MARTINI bead: SNd_SC5";;;;;;;1.64;;-2.13;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM425943;MM425943;CC1CN1CCN(C)C=N;WXWSJZHKOYOTJV-UHFFFAOYSA-N;141.22;0.23;;;;;DOPC;MDCG;27;1;"MARTINI bead: SNd_P2";;;;;;;-0.24;;-7.36;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM425944;MM425944;CCn1ncc(CC#N)n1;YRIFZFPMKZMWHU-UHFFFAOYSA-N;136.16;0.36;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNa_SP1";;;;;;;0.04;;-2.54;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM425945;MM425945;C#CC(CO)N1CC1CN;FXEPWCBFLDTCJM-UHFFFAOYSA-N;140.19;-1.38;;;;;DOPC;MDCG;27;1;"MARTINI bead: SP2_P3";;;;;;;-2.2;;-7.12;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM425946;MM425946;NCCNCC1(CO)CO1;REKMONKYBMJPMC-UHFFFAOYSA-N;146.19;-1.7;;;;;DOPC;MDCG;27;1;"MARTINI bead: P3_SP2";;;;;;;-2.2;;-7.26;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM425947;MM425947;C=NN1C(C)C1C#CC#N;UUJVCJRPNHOHJZ-UHFFFAOYSA-N;133.15;0.2;;;;;DOPC;MDCG;27;0;"MARTINI bead: N0_SP1";;;;;;;0.34;;-1.53;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM425948;MM425948;C=CN(C=O)N=CCOC;MFLHDLKTZGNFHS-UHFFFAOYSA-N;142.16;0.22;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_P2";;;;;;;-0.24;;-3.24;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM425949;MM425949;C#CC(O)CCC1CC1C;LHHPTAKPAGXZOU-UHFFFAOYSA-N;138.21;1.42;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC5_P1";;;;;;;0.81;;-0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM425950;MM425950;C=COc1cnn(CC)n1;QIZWBXDSWXKTSX-UHFFFAOYSA-N;139.16;0.82;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNa_SP1";;;;;;;0.04;;-2.54;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM425951;MM425951;CCC(O)C(C)(C)C;HMSVXZJWPVIVIV-UHFFFAOYSA-N;116.2;1.8;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda_C3";;;;;;;2.57;;0.44;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM425952;MM425952;OCCNCC1(CO)CO1;VBNYFJRNQDLVOA-UHFFFAOYSA-N;147.17;-1.67;;;;;DOPC;MDCG;27;1;"MARTINI bead: P3_SP1";;;;;;;-1.93;;-6.07;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM425953;MM425953;COCC=NN(C=N)C=N;WWPZGXKTEJVWRB-UHFFFAOYSA-N;142.16;0.13;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_P3";;;;;;;-1.1;;-4.2;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM425955;MM425955;C#CC(C)NCC1CC1C;JVNSHJLHPUSJTO-UHFFFAOYSA-N;137.23;1.25;;;;;DOPC;MDCG;27;1;"MARTINI bead: SC5_P1";;;;;;;0.81;;-2.59;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM425954;MM425954;FCC1=CC2(CF)CC1C2;IBDRJYDAUJASEB-UHFFFAOYSA-N;144.16;2.26;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC5_SC5";;;;;;;2.41;;0.64;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM425956;MM425956;C=CCc1ncn(CC)n1;UFNJCASZXUSXSZ-UHFFFAOYSA-N;137.19;1.03;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP1_SNa";;;;;;;0.04;;-2.54;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM425957;MM425957;CC(C)C(O)C(C)C;BAYAKMPRFGNNFW-UHFFFAOYSA-N;116.2;1.66;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda_C3";;;;;;;2.57;;0.44;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM425958;MM425958;CCCNCC1(CF)CO1;CGLWUIOROSOPSM-UHFFFAOYSA-N;147.19;0.72;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_SNa";;;;;;;0.87;;-4.11;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM425959;MM425959;COCC=NN(C=N)C=O;FMRPOIGWPOFLOL-UHFFFAOYSA-N;143.15;-0.32;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_P4";;;;;;;-1.19;;-4.76;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM425960;MM425960;CCC12C=C(OC)C(C1)C2;WLIHQKVAXGHSOQ-UHFFFAOYSA-N;138.21;2.34;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC2_SC5";;;;;;;3.6;;0.34;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM425961;MM425961;C#CC(C)NCC1OC1C;SOIFOWYIORKYEZ-UHFFFAOYSA-N;139.2;0.39;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1_SNa";;;;;;;0.04;;-3.7;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM425962;MM425962;CCn1cnc(CC#N)n1;CVZWYCKGNPSUSL-UHFFFAOYSA-N;136.16;0.36;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP1_SP1";;;;;;;-0.79;;-3.13;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM425963;MM425963;C=CC(C=C)C1CC1CC;JFDWUZFTZUAONI-UHFFFAOYSA-N;136.24;3.02;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC3_C2";;;;;;;4.53;;0.32;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM425964;MM425964;CCCOCC1(CC)CO1;ONYBCHPOSPZCBT-UHFFFAOYSA-N;144.21;1.59;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_SNa";;;;;;;0.87;;-2.22;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM425965;MM425965;COC1=CC2(CN)CC1C2;OGQRPUDPZLEZRS-UHFFFAOYSA-N;139.2;0.89;;;;;DOPC;MDCG;27;1;"MARTINI bead: SC5_SNd";;;;;;;1.64;;-2.35;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM425966;MM425966;C=CCC=CC(C=C)C=C;WBOZCKJPCCJBLC-UHFFFAOYSA-N;134.22;3.11;;;;;DOPC;MDCG;27;0;"MARTINI bead: C2_C2";;;;;;;4.78;;0.59;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM425967;MM425967;C=C(CC)CCC1CC1C;NZIIHDFXZSOOAW-UHFFFAOYSA-N;138.25;3.39;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1_SC5";;;;;;;3.68;;0.46;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM425968;MM425968;C=CCc1ncn(NC)n1;VEAQLEDVLUBRLP-UHFFFAOYSA-N;138.17;0.18;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP2_SNa";;;;;;;-0.24;;-3.24;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM425969;MM425969;C=CC(C=O)C1CC1CC;TWJHQUAINHGRKQ-UHFFFAOYSA-N;138.21;2.03;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC3_Na";;;;;;;2.57;;0.45;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM425970;MM425970;CCCOCC1(CN)CO1;SPYKYAKFYBMUBN-UHFFFAOYSA-N;145.2;0.14;;;;;DOPC;MDCG;27;1;"MARTINI bead: Na_SP2";;;;;;;-0.24;;-5.22;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM425971;MM425971;C=C(CN)CCC1CC1C;KLBKGDQBIKGFFT-UHFFFAOYSA-N;139.24;1.94;;;;;DOPC;MDCG;27;1;"MARTINI bead: SC5_Nd";;;;;;;1.64;;-2.15;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM425972;MM425972;COC1=CC2(CO)CC1C2;SFODKTDDPNELCY-UHFFFAOYSA-N;140.18;0.92;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC5_SNda";;;;;;;1.64;;0.05;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM425973;MM425973;CNn1cnc(CC#N)n1;JHGFLFZFGJTOSC-UHFFFAOYSA-N;137.15;-0.48;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP2_SP1";;;;;;;-1.06;;-3.82;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM425974;MM425974;C=CC(C=C)C=CCC=O;HHZIJYKDDLNBCZ-UHFFFAOYSA-N;136.19;2.12;;;;;DOPC;MDCG;27;0;"MARTINI bead: C2_Na";;;;;;;2.83;;0.35;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM425975;MM425975;C=CC(C#N)C1CC1CC;IVQVCPNDRJXLQY-UHFFFAOYSA-N;135.21;2.36;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC3_N0";;;;;;;2.87;;0.37;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM425976;MM425976;C=C(CO)CCC1CC1C;HIKBHZQXXVLCRU-UHFFFAOYSA-N;140.23;1.97;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC5_Nda";;;;;;;1.64;;0.05;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM425977;MM425977;NCCOCC1(CN)CO1;DHQPJSYTTZSGEC-UHFFFAOYSA-N;146.19;-1.31;;;;;DOPC;MDCG;27;1;"MARTINI bead: P2_SP2";;;;;;;-1.34;;-6.62;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM425978;MM425978;C=CCc1ncn(OC)n1;LQAVFNDABUGLHV-UHFFFAOYSA-N;139.16;0.07;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP1_SNa";;;;;;;0.04;;-2.54;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM425979;MM425979;COC1=CC2(CF)CC1C2;VZALCSPZHPHOCA-UHFFFAOYSA-N;142.17;1.9;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC5_SC5";;;;;;;2.41;;0.64;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM425980;MM425980;CCC1CC1C(C#N)C=O;SZTCGHVTKMHLLE-UHFFFAOYSA-N;137.18;1.37;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC3_Na";;;;;;;2.57;;0.45;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM425981;MM425981;C=CC(C=C)C=CCC#N;NNBOIDPTYSGFKK-UHFFFAOYSA-N;133.19;2.44;;;;;DOPC;MDCG;27;0;"MARTINI bead: C2_N0";;;;;;;3.13;;0.3;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM425982;MM425982;NCC1(COCCO)CO1;KCXATPPRLHLKNM-UHFFFAOYSA-N;147.17;-1.28;;;;;DOPC;MDCG;27;1;"MARTINI bead: SP2_P2";;;;;;;-1.34;;-6.29;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM425983;MM425983;C=C(CF)CCC1CC1C;JSIGFUAOPOTBNC-UHFFFAOYSA-N;142.22;2.95;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC5_C4";;;;;;;2.97;;0.45;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM425984;MM425984;COn1cnc(CC#N)n1;MCXJDUCGNVIYAT-UHFFFAOYSA-N;138.13;-0.6;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP1_SP1";;;;;;;-0.79;;-3.13;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM425985;MM425985;CCC1=CC2(NC)CC1C2;RZIOSURKSCBYAG-UHFFFAOYSA-N;137.23;1.7;;;;;DOPC;MDCG;27;1;"MARTINI bead: SC2_SNd";;;;;;;2.83;;-0.23;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM425986;MM425986;C=CCC=CC(C=C)C=O;QLAKQTKOSUKPGI-UHFFFAOYSA-N;136.19;2.12;;;;;DOPC;MDCG;27;0;"MARTINI bead: C2_Na";;;;;;;2.83;;0.35;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM425987;MM425987;CCC1CC1C(C#N)C#N;NDHUCNFVUVQWEF-UHFFFAOYSA-N;134.18;1.7;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC3_P2";;;;;;;1.46;;-0.15;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM425988;MM425988;OCCOCC1(CO)CO1;PWHGVEJATLLQBY-UHFFFAOYSA-N;148.16;-1.24;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_SP2";;;;;;;-1.34;;-4.31;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM425989;MM425989;CC1CC1CCC(=O)CF;IQEYYJJXHBOCGF-UHFFFAOYSA-N;144.19;1.96;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC5_Na";;;;;;;1.64;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM425990;MM425990;CC(=O)C#CC1CN1;GRZCWNUSCRAOMK-UHFFFAOYSA-N;109.13;-0.45;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_SP2";;;;;;;-0.24;;-3.24;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM425991;MM425991;CNC12C=C(CN)C(C1)C2;VGANOCUURYMRAR-UHFFFAOYSA-N;138.21;0.25;;;;;DOPC;MDCG;27;1;"MARTINI bead: SNd_SNd";;;;;;;0.87;;-4.65;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM425992;MM425992;C=CCC=CC(C#N)C=C;IKBQVPULFUSRBR-UHFFFAOYSA-N;133.19;2.44;;;;;DOPC;MDCG;27;0;"MARTINI bead: C2_N0";;;;;;;3.13;;0.3;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM425993;MM425993;C=CCc1nnn(CC)n1;NUOLFLIENHQCAZ-UHFFFAOYSA-N;138.17;0.42;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP1_SNa";;;;;;;0.04;;-2.54;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM425994;MM425994;NCCOCC1(CF)CO1;FHSMWYLWHLNWNH-UHFFFAOYSA-N;149.17;-0.3;;;;;DOPC;MDCG;27;1;"MARTINI bead: P2_SNa";;;;;;;-0.24;;-5.28;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM425995;MM425995;CC1CC1CCC(=N)NN;WPFAJYGULKIKTK-UHFFFAOYSA-N;141.22;0.86;;;;;DOPC;MDCG;27;1;"MARTINI bead: SC5_P2";;;;;;;0.54;;-4.87;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM425996;MM425996;C=NNC(=N)C=C(C)F;KLSNBLSGNNGGAO-UHFFFAOYSA-N;129.14;1.04;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_P2";;;;;;;0.54;;-1.09;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM425997;MM425997;C=CC(C=O)C=CCC=O;GZVNLFSQEBCDKH-UHFFFAOYSA-N;138.17;1.13;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_Na";;;;;;;0.87;;-2.22;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM425998;MM425998;CNC12C=C(CO)C(C1)C2;VIJNJZFJWNBPFI-UHFFFAOYSA-N;139.2;0.29;;;;;DOPC;MDCG;27;1;"MARTINI bead: SNd_SNda";;;;;;;0.87;;-3.84;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM425999;MM425999;CCn1nnc(CC#N)n1;QLCNGXNPPRHRQA-UHFFFAOYSA-N;137.15;-0.24;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP1_SP1";;;;;;;-0.79;;-3.13;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM426000;MM426000;COCOCC1(CN)CO1;PLHSSELTPTYRJO-UHFFFAOYSA-N;147.17;-0.67;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1_SP2";;;;;;;-1.06;;-5.8;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM426001;MM426001;CC1CC1CCC(=N)NO;VQSZZBBRUFARBE-UHFFFAOYSA-N;142.2;1.38;;;;;DOPC;MDCG;27;1;"MARTINI bead: SC5_P2";;;;;;;0.54;;-3.7;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM426002;MM426002;C=CC(C#N)C=CCC=O;YMYNSXXDARSDKS-UHFFFAOYSA-N;135.17;1.46;;;;;DOPC;MDCG;27;0;"MARTINI bead: N0_Na";;;;;;;1.17;;-1.18;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM426003;MM426003;C#CC(=NCC)NN=C;CNUFCNRBNJOYOP-UHFFFAOYSA-N;123.16;0.24;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_P1";;;;;;;0.81;;-0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM426004;MM426004;C#CCC1=CC(CC)C=C1;XLVTYQLPZXUKPM-UHFFFAOYSA-N;132.21;2.53;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC3_SC4";;;;;;;3.9;;0.47;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM426005;MM426005;CNC12C=C(CF)C(C1)C2;FEXURYCYJRKGPY-UHFFFAOYSA-N;141.19;1.26;;;;;DOPC;MDCG;27;1;"MARTINI bead: SNd_SC5";;;;;;;1.64;;-2.12;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM426006;MM426006;COCOCC1(CF)CO1;HDWYBDWFAXBUMU-UHFFFAOYSA-N;150.15;0.35;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_SNa";;;;;;;0.04;;-2.54;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM426007;MM426007;NN=C1CC=C(CF)O1;ACHFMMMOHWOQEV-UHFFFAOYSA-N;130.12;0.53;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNda_SNa";;;;;;;0.87;;-1.99;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM426008;MM426008;N#CC(C=O)C1CC1CO;JXHXRGWKWHQJRH-UHFFFAOYSA-N;139.15;-0.05;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNda_Na";;;;;;;0.87;;-1.99;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM426009;MM426009;C=CC(C=O)C=CCC#N;XLNDXIPERKNIMG-UHFFFAOYSA-N;135.17;1.46;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_N0";;;;;;;1.17;;-1.18;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM426010;MM426010;C#CCC1=CC(CN)C=C1;VURGVTSGVLAAMK-UHFFFAOYSA-N;133.19;1.08;;;;;DOPC;MDCG;27;1;"MARTINI bead: SNd_SC4";;;;;;;2.2;;-2.15;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM426011;MM426011;CNC12C=C(OC)C(C1)C2;YBEGKIPEEXEAKB-UHFFFAOYSA-N;139.2;0.9;;;;;DOPC;MDCG;27;1;"MARTINI bead: SNd_SC5";;;;;;;1.64;;-1.89;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM426012;MM426012;C=CCCCC1(CC)CC1;XTYCAJNNRKSNJA-UHFFFAOYSA-N;138.25;3.53;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC3_C1";;;;;;;4.61;;0.31;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM426013;MM426013;CC1CC1CNC(=N)CN;XSVDIVUFGUMFCH-UHFFFAOYSA-N;141.22;0.17;;;;;DOPC;MDCG;27;1;"MARTINI bead: SC5_P4";;;;;;;-0.41;;-6.08;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM426014;MM426014;C=CC(C#N)C=CCC#N;DBSPIIFZSMMMKT-UHFFFAOYSA-N;132.17;1.78;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_P1";;;;;;;0.81;;-0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM426015;MM426015;N#CC(C#N)C1CC1CO;IENDJUZZISBAKJ-UHFFFAOYSA-N;136.15;0.28;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNda_P2";;;;;;;-0.24;;-3.31;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM426016;MM426016;C#CCC1=CC(CO)C=C1;QIFGIDMGEIWPJV-UHFFFAOYSA-N;134.18;1.11;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNda_SC4";;;;;;;2.2;;0.49;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM426017;MM426017;CCC1=CC2(OC)CC1C2;XDCFOVXQRJGCOV-UHFFFAOYSA-N;138.21;2.13;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC2_SNa";;;;;;;2.83;;0.35;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM426018;MM426018;CC1CC1CNC(=N)CO;ABTRWUCYWDBVKP-UHFFFAOYSA-N;142.2;0.2;;;;;DOPC;MDCG;27;1;"MARTINI bead: SC5_P4";;;;;;;-0.41;;-6.08;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM426019;MM426019;CCC1(CCCC=O)CC1;DSQRDRRRBMPNBI-UHFFFAOYSA-N;140.23;2.55;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC3_C5";;;;;;;3.34;;0.48;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM426020;MM426020;C=CC(C=C)C1CC1CF;RWQCYUFDUWJEBJ-UHFFFAOYSA-N;140.2;2.58;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC5_C2";;;;;;;3.6;;0.34;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM426021;MM426021;C=CCC=CC(C#N)C#N;PVHJQWGPTSWRIV-UHFFFAOYSA-N;132.17;1.78;;;;;DOPC;MDCG;27;0;"MARTINI bead: C2_P2";;;;;;;1.72;;0.27;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM426022;MM426022;COC12C=C(CN)C(C1)C2;IKYQROIHFBXLKN-UHFFFAOYSA-N;139.2;0.68;;;;;DOPC;MDCG;27;1;"MARTINI bead: SNa_SNd";;;;;;;0.87;;-4.12;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM426023;MM426023;C#CCC1=CC(CF)C=C1;HSRFNBSQBVHLKB-UHFFFAOYSA-N;136.17;2.09;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC5_SC4";;;;;;;2.97;;0.45;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM426024;MM426024;C=C(CNC1CC1N)OC;GRKOQPPKXRWSSI-UHFFFAOYSA-N;142.2;-0.16;;;;;DOPC;MDCG;27;1;"MARTINI bead: C5_SP3";;;;;;;-0.33;;-3.82;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM426025;MM426025;C=CCCCC1(CN)CC1;JBRRBPVWBYWOKY-UHFFFAOYSA-N;139.24;2.08;;;;;DOPC;MDCG;27;1;"MARTINI bead: SNd_C3";;;;;;;2.57;;-1.21;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM426026;MM426026;C=CC(C=O)C1CC1CF;DVJIUIMLYOVYTA-UHFFFAOYSA-N;142.17;1.59;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC5_Na";;;;;;;1.64;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM426027;MM426027;O=CCC=CC(C=O)C=O;GNNVUOMTBWBZNV-UHFFFAOYSA-N;140.14;0.15;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_Na";;;;;;;0.87;;-2.22;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM426028;MM426028;C#CCC1=CC(NC)C=C1;AUSIXTVMADNBQR-UHFFFAOYSA-N;133.19;1.09;;;;;DOPC;MDCG;27;1;"MARTINI bead: SNd_SC4";;;;;;;2.2;;-1.02;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM426029;MM426029;COC12C=C(CO)C(C1)C2;MBICQRHHOCEJFJ-UHFFFAOYSA-N;140.18;0.71;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNa_SNda";;;;;;;0.87;;-1.99;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM426030;MM426030;CNC(=O)CCC1OC1C;XJWWICQMZWAEIA-UHFFFAOYSA-N;143.19;0.3;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_SNa";;;;;;;-0.24;;-3.24;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM426031;MM426031;CCCc1coc(=NN)o1;BVWAIUVOGDIOMR-UHFFFAOYSA-N;142.16;0.6;;;;;DOPC;MDCG;27;0;"MARTINI bead: C3_SP2";;;;;;;1.46;;-0.15;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM426032;MM426032;N#CC(C=O)C1CC1CF;RXEMABMPABKBAP-UHFFFAOYSA-N;141.15;0.93;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC5_Na";;;;;;;1.64;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM426033;MM426033;N#CC(C=O)C=CCC=O;ZVDKCGSHAUNABP-UHFFFAOYSA-N;137.14;0.47;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_Na";;;;;;;0.87;;-2.22;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM426034;MM426034;C#CCC1=CC(OC)C=C1;XTLHHCQQXFITRM-UHFFFAOYSA-N;134.18;1.52;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNa_SC4";;;;;;;2.2;;0.34;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM426035;MM426035;COC12C=C(CF)C(C1)C2;HCGQKMWJMABOPB-UHFFFAOYSA-N;142.17;1.69;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNa_SC5";;;;;;;1.64;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM426036;MM426036;CN1CC1CCC(=N)NO;QPDBZXIXRADRDP-UHFFFAOYSA-N;143.19;0.04;;;;;DOPC;MDCG;27;1;"MARTINI bead: SNd_P2";;;;;;;-0.24;;-5.76;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM426037;MM426037;NN=c1occ(CCF)o1;SVKYJSBYXMZPSC-UHFFFAOYSA-N;146.12;0.16;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP2_C5";;;;;;;0.54;;-1.09;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM426038;MM426038;N#CC(C#N)C1CC1CF;WUCNUQUYTSGLEH-UHFFFAOYSA-N;138.15;1.26;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC5_P2";;;;;;;0.54;;-1.09;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM426039;MM426039;C=CC(C=C)C=CNC=N;SWUYICDMFNRNER-UHFFFAOYSA-N;136.2;1.68;;;;;DOPC;MDCG;27;1;"MARTINI bead: C1_P3";;;;;;;0.94;;-3.57;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM426040;MM426040;C#CCc1ccn(CC)c1;QGAVCTQEHOFHAG-UHFFFAOYSA-N;133.19;1.68;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC5_SN0";;;;;;;1.94;;0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM426041;MM426041;COC1=CC2(OC)CC1C2;REIBTRWBJYMBCQ-UHFFFAOYSA-N;140.18;1.33;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC5_SNa";;;;;;;1.64;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM426042;MM426042;C=CC(=C)CCC1CC1C;GGJUUOBNUVANRW-UHFFFAOYSA-N;136.24;3.16;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC5_C3";;;;;;;3.34;;0.48;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM426043;MM426043;C=CCCCC1(CF)CC1;HQUHIGTZOALIQM-UHFFFAOYSA-N;142.22;3.09;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC5_C3";;;;;;;3.34;;0.48;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM426044;MM426044;C=CC(C=C)C1CC1NC;CPYWFWINWQBDBA-UHFFFAOYSA-N;137.23;1.58;;;;;DOPC;MDCG;27;1;"MARTINI bead: SNd_C2";;;;;;;2.83;;-0.8;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM426045;MM426045;C=CC(C=C)C=CNC=O;MMKWUFAZWZZQQW-UHFFFAOYSA-N;137.18;1.23;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1_P3";;;;;;;0.94;;0.03;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM426046;MM426046;CCC1=CC2(CC)CC1N2;SFGOKBBWEOQZRP-UHFFFAOYSA-N;137.23;1.85;;;;;DOPC;MDCG;27;1;"MARTINI bead: SC2_SNd";;;;;;;2.83;;0.24;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM426047;MM426047;C#CCc1ccn(NC)c1;LRYIJPOATAFNDH-UHFFFAOYSA-N;134.18;0.84;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNd_SN0";;;;;;;1.17;;-1.04;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM426048;MM426048;C=C(C=O)CCC1CC1C;CDOFUKOCHFUPKH-UHFFFAOYSA-N;138.21;2.18;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC5_Na";;;;;;;1.64;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM426049;MM426049;CCC1(CCNC=N)CC1;XPPLKANZSFCWHP-UHFFFAOYSA-N;140.23;1.76;;;;;DOPC;MDCG;27;1;"MARTINI bead: SC3_P2";;;;;;;1.46;;-4.37;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM426050;MM426050;C=CC(C=O)C=CNC=N;ZCTRXUSXUQWLFU-UHFFFAOYSA-N;138.17;0.7;;;;;DOPC;MDCG;27;1;"MARTINI bead: Na_P2";;;;;;;-0.24;;-7.14;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM426051;MM426051;C=CC(C#N)C1CC1NC;OJOSKRRZQCUWCG-UHFFFAOYSA-N;136.2;0.92;;;;;DOPC;MDCG;27;1;"MARTINI bead: SNd_N0";;;;;;;1.17;;-2.88;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM426052;MM426052;CCC12C=C(CN)C(C1)N2;SVXRYGKJBZTTBV-UHFFFAOYSA-N;138.21;0.4;;;;;DOPC;MDCG;27;1;"MARTINI bead: SNd_SNd";;;;;;;0.87;;-4.1;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM426053;MM426053;C=CC(=O)CCC1CC1C;JDWGSKDSVZDVDS-UHFFFAOYSA-N;138.21;2.18;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC5_Na";;;;;;;1.64;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM426054;MM426054;C#CCc1ccn(OC)c1;KRZMJWSPLXTIMJ-UHFFFAOYSA-N;135.17;0.72;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNa_SN0";;;;;;;1.17;;-1.18;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM426055;MM426055;COCc1coc(=NN)o1;OYKHFGPBWPNTHC-UHFFFAOYSA-N;144.13;-0.21;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_SP2";;;;;;;-1.06;;-3.82;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM426056;MM426056;CCC12C=C(CO)C(C1)N2;WHWFHMHFSNQNCI-UHFFFAOYSA-N;139.2;0.43;;;;;DOPC;MDCG;27;1;"MARTINI bead: SNd_SNda";;;;;;;0.87;;-3.01;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM426057;MM426057;CNC1CC1C(C#N)C=O;FMOLJFZKPZKDMN-UHFFFAOYSA-N;138.17;-0.07;;;;;DOPC;MDCG;27;1;"MARTINI bead: SNd_Na";;;;;;;0.87;;-3.41;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM426058;MM426058;C=CC(C#N)C=CNC=N;DRWBACLVOKDIGR-UHFFFAOYSA-N;135.17;1.02;;;;;DOPC;MDCG;27;1;"MARTINI bead: C4_P3";;;;;;;0.23;;-4.79;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM426059;MM426059;CC1CC1CCC(=O)C=O;AHRSMIQPVKDXJG-UHFFFAOYSA-N;140.18;1.19;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC5_P1";;;;;;;0.81;;-0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM426060;MM426060;C#CCc1cnn(CC)c1;PNMQILSJSRCSOA-UHFFFAOYSA-N;134.18;1.08;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNa_SN0";;;;;;;1.17;;-1.18;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM426061;MM426061;N=CNCCC1(CN)CC1;UNOZPMCBGQHBHX-UHFFFAOYSA-N;141.22;0.31;;;;;DOPC;MDCG;27;1;"MARTINI bead: SNd_P3";;;;;;;-1.1;;-8.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM426062;MM426062;C=CC(C=C)C1CC1OC;YIWCENYVBIRXOP-UHFFFAOYSA-N;138.21;2.01;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNa_C2";;;;;;;2.83;;0.35;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM426063;MM426063;CCC12C=C(CF)C(C1)N2;OPWIPEFBXNPGOJ-UHFFFAOYSA-N;141.19;1.41;;;;;DOPC;MDCG;27;1;"MARTINI bead: SNd_SC5";;;;;;;1.64;;-1.13;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM426064;MM426064;C=CC(C=O)C=CNC=O;ODKATLHOHQPQIA-UHFFFAOYSA-N;139.15;0.25;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_P2";;;;;;;-0.24;;-3.24;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM426065;MM426065;C#CCc1cnn(NC)c1;GCHIHDUOWDRONM-UHFFFAOYSA-N;135.17;0.23;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP1_SN0";;;;;;;0.34;;-1.53;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM426066;MM426066;CC1CC1CCC(=O)C#N;ZMVWWIFVZWJCDB-UHFFFAOYSA-N;137.18;1.52;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC5_P1";;;;;;;0.81;;-0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM426067;MM426067;NCC1(CCNC=O)CC1;PFULHQBIOZEBTM-UHFFFAOYSA-N;142.2;-0.14;;;;;DOPC;MDCG;27;1;"MARTINI bead: SNd_P3";;;;;;;-1.1;;-6.11;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM426068;MM426068;C=CC(C=O)C1CC1OC;WIRQXRDPMMWUSP-UHFFFAOYSA-N;140.18;1.02;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNa_Na";;;;;;;0.87;;-2.22;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM426069;MM426069;C=CC(C#N)C=CNC=O;PKSDHCVLZABKAA-UHFFFAOYSA-N;136.15;0.57;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4_P3";;;;;;;0.23;;-1.03;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM426070;MM426070;CCC1=CC2(CN)CC1N2;TVKLHGNHHREWSI-UHFFFAOYSA-N;138.21;0.4;;;;;DOPC;MDCG;27;1;"MARTINI bead: SC2_SP2";;;;;;;1.72;;-1.32;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM426071;MM426071;C#CCc1cnn(OC)c1;WYRMLVIJSIFFHW-UHFFFAOYSA-N;136.15;0.12;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNa_SN0";;;;;;;1.17;;-1.18;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM426072;MM426072;NN=c1ncncn1N;ZRTQUBWXCKAJNB-UHFFFAOYSA-N;126.12;-2.23;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP3_SP2";;;;;;;-2.2;;-5.19;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM426073;MM426073;N=CNCCC1(CO)CC1;GCOMRJRKUMXNMV-UHFFFAOYSA-N;142.2;0.35;;;;;DOPC;MDCG;27;1;"MARTINI bead: SNda_P3";;;;;;;-1.1;;-7.92;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM426074;MM426074;C=CC(C#N)C1CC1OC;BWCMVVJNVZZTKD-UHFFFAOYSA-N;137.18;1.35;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNa_N0";;;;;;;1.17;;-1.18;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM426075;MM426075;NCC1=CC2(CN)CC1N2;HRZHAQQSWSEAHB-UHFFFAOYSA-N;139.2;-1.06;;;;;DOPC;MDCG;27;1;"MARTINI bead: SNd_SP2";;;;;;;-0.24;;-5.4;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM426076;MM426076;N=CNC=CC(C=O)C=O;FSGLEYHJUIYFMI-UHFFFAOYSA-N;140.14;-0.29;;;;;DOPC;MDCG;27;1;"MARTINI bead: P3_Na";;;;;;;-1.1;;-8.29;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM426077;MM426077;C#CCc1cn(CC)cn1;DRQBPUADCPBLIC-UHFFFAOYSA-N;134.18;1.08;;;;;DOPC;MDCG;27;0;"MARTINI bead: SN0_SNa";;;;;;;1.17;;-1.18;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM426078;MM426078;Cn1cnnnc1=NN;GKVWIETXGHQRJS-UHFFFAOYSA-N;126.12;-2.02;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP3_SP3";;;;;;;-3.07;;-6.15;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM426079;MM426079;O=CNCCC1(CO)CC1;NSQYLGSTXWRRMW-UHFFFAOYSA-N;143.19;-0.11;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNda_P3";;;;;;;-1.1;;-3.97;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM426080;MM426080;C=CN(C=N)C1CC1CC;LTRSIKMMVPDQKQ-UHFFFAOYSA-N;138.21;1.84;;;;;DOPC;MDCG;27;1;"MARTINI bead: SC3_P1";;;;;;;1.74;;-2.85;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM426081;MM426081;NCC12C=C(CO)C(C1)N2;GXZOVZSUPXIVDT-UHFFFAOYSA-N;140.19;-1.02;;;;;DOPC;MDCG;27;1;"MARTINI bead: SP2_SNda";;;;;;;-0.24;;-5.3;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM426082;MM426082;N#CC(C=O)C=CNC=N;HWUDJTVQPOLTML-UHFFFAOYSA-N;137.14;0.04;;;;;DOPC;MDCG;27;1;"MARTINI bead: P3_Na";;;;;;;-1.1;;-7.83;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM426083;MM426083;C=CC(=N)NCC1CC1C;KSQXJTMKUQRKNQ-UHFFFAOYSA-N;138.21;1.4;;;;;DOPC;MDCG;27;1;"MARTINI bead: SC5_P2";;;;;;;0.54;;-5.77;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM426084;MM426084;C#CCc1cn(NC)cn1;LKERRWBCWMDNRH-UHFFFAOYSA-N;135.17;0.23;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP2_SNa";;;;;;;-0.24;;-3.24;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM426085;MM426085;C=NNCCC1(CC)CC1;WBAUJEQUQTYIDU-UHFFFAOYSA-N;140.23;1.77;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC3_Nd";;;;;;;2.57;;0.53;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM426086;MM426086;CCC1CC1N(C=N)C=N;GVLBAZYALFZBLM-UHFFFAOYSA-N;139.2;1.3;;;;;DOPC;MDCG;27;1;"MARTINI bead: SC3_P2";;;;;;;1.46;;-1.7;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM426087;MM426087;NCC12C=C(CF)C(C1)N2;SYXCWPOCJGPJFW-UHFFFAOYSA-N;142.18;-0.04;;;;;DOPC;MDCG;27;1;"MARTINI bead: SP2_SC5";;;;;;;0.54;;-3.07;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM426088;MM426088;C=COC=CC(C=C)C=C;IWSMRBNVFCQQBG-UHFFFAOYSA-N;136.19;2.65;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_C2";;;;;;;3.6;;0.34;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM426089;MM426089;C#CCc1cn(OC)cn1;TWKCATVHVPHSSO-UHFFFAOYSA-N;136.15;0.12;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP1_SNa";;;;;;;0.04;;-2.54;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM426090;MM426090;C=C(C=O)CCC1OC1C;VHOATKBXPHUHGY-UHFFFAOYSA-N;140.18;1.31;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNa_Na";;;;;;;0.87;;-2.22;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM426091;MM426091;C=NNCCC1(CN)CC1;YRMJUBGBGLINHG-UHFFFAOYSA-N;141.22;0.32;;;;;DOPC;MDCG;27;1;"MARTINI bead: SNd_P2";;;;;;;-0.24;;-5.64;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM426092;MM426092;CCC1CC1N(C=O)C=O;RKFVYKVTUPWOLD-UHFFFAOYSA-N;141.17;0.4;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC3_P2";;;;;;;1.46;;-0.15;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM426093;MM426093;NCC1=CC2(CO)CC1N2;VSEALIGRIFOJEH-UHFFFAOYSA-N;140.19;-1.02;;;;;DOPC;MDCG;27;1;"MARTINI bead: SNd_SP2";;;;;;;-0.24;;-5.07;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM426094;MM426094;C=CC(C=C)C=COC=O;VJGKMPVYHLGHFQ-UHFFFAOYSA-N;138.17;1.66;;;;;DOPC;MDCG;27;0;"MARTINI bead: C2_Na";;;;;;;2.83;;0.35;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM426095;MM426095;C#CCc1cn(CC)nn1;BDBCACGFGWXKJY-UHFFFAOYSA-N;135.17;0.47;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNa_SP1";;;;;;;0.04;;-2.54;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM426096;MM426096;C=C(C#N)CCC1OC1C;ZMAILCVOPCGNBA-UHFFFAOYSA-N;137.18;1.63;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNa_N0";;;;;;;1.17;;-1.18;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM426097;MM426097;CCOc1coc(=NN)o1;LVBDTVMIMUKEJO-UHFFFAOYSA-N;144.13;0.05;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_SP2";;;;;;;-1.06;;-3.82;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM426098;MM426098;N=CN(C=N)C1CC1CN;MTWRLDYBOOJUKY-UHFFFAOYSA-N;140.19;-0.15;;;;;DOPC;MDCG;27;1;"MARTINI bead: SNd_P2";;;;;;;-0.24;;-5.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM426099;MM426099;C=COC=CC(C#N)C=C;CPABFOGNPRRXOX-UHFFFAOYSA-N;135.17;1.99;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_C5";;;;;;;1.64;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM426100;MM426100;NCC1=CC2(CF)CC1N2;SENXOERRUUVXQW-UHFFFAOYSA-N;142.18;-0.04;;;;;DOPC;MDCG;27;1;"MARTINI bead: SNd_SP1";;;;;;;0.04;;-4.53;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM426101;MM426101;C#CCc1cn(NC)nn1;WJUINYQAOMQJRO-UHFFFAOYSA-N;136.16;-0.37;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP2_SP1";;;;;;;-1.06;;-3.82;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM426102;MM426102;C=C(C=O)CCC1CN1C;HLMWHVRVHLATCD-UHFFFAOYSA-N;139.2;0.84;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNd_Na";;;;;;;0.87;;-1.88;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM426103;MM426103;C=COCCC1(CC)CC1;QXONTCLMECFHTQ-UHFFFAOYSA-N;140.23;2.73;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC3_Na";;;;;;;2.57;;0.45;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM426104;MM426104;N=CN(C=O)C1CC1CN;CGDVOGWMHBDTHH-UHFFFAOYSA-N;141.17;-0.6;;;;;DOPC;MDCG;27;1;"MARTINI bead: SNd_P3";;;;;;;-1.1;;-6.28;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM426105;MM426105;C=CC(C=O)C=COC=O;AZOVGPZLFGNCRL-UHFFFAOYSA-N;140.14;0.67;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_Na";;;;;;;0.87;;-2.22;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM426106;MM426106;COC1=CC2(CN)CC1N2;WBPWBSZXKILDCS-UHFFFAOYSA-N;140.19;-0.41;;;;;DOPC;MDCG;27;1;"MARTINI bead: SC5_SP2";;;;;;;0.54;;-3.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM426107;MM426107;C=C(C#N)CCC1CN1C;YBCVSWYSMKWCPD-UHFFFAOYSA-N;136.2;1.16;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNd_N0";;;;;;;1.17;;-1.04;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM426108;MM426108;C#CCc1cn(OC)nn1;DYHGSABRFOCUFO-UHFFFAOYSA-N;137.14;-0.49;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP1_SP1";;;;;;;-0.79;;-3.13;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM426109;MM426109;C=CN(C=N)C1CC1CO;SSPCJPSRVHOBHP-UHFFFAOYSA-N;140.19;0.42;;;;;DOPC;MDCG;27;1;"MARTINI bead: SNda_P1";;;;;;;0.04;;-6.19;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM426110;MM426110;CCC1(CCOC=O)CC1;QYUGHWKAFHZUTC-UHFFFAOYSA-N;142.2;1.74;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC3_P1";;;;;;;1.74;;0.29;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM426111;MM426111;C=CC(C#N)C=COC=O;POONDFKTINAKBU-UHFFFAOYSA-N;137.14;1;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_P1";;;;;;;0.81;;-0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM426112;MM426112;CCC1=CC2(CC)CC1O2;PZJOYBSFQZBDFV-UHFFFAOYSA-N;138.21;2.27;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC2_SNa";;;;;;;2.83;;0.35;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM426113;MM426113;C#CCc1ccn(CC)n1;KHLQAXTVSVPHCC-UHFFFAOYSA-N;134.18;1.08;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNa_SN0";;;;;;;1.17;;-1.18;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM426114;MM426114;C=CN(C=O)C1CC1CO;RASNUKUDFVZGOV-UHFFFAOYSA-N;141.17;-0.03;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNda_P2";;;;;;;-0.24;;-3.31;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM426115;MM426115;C=CC(=O)CCC1CN1C;FTNCGPFFSOWHMQ-UHFFFAOYSA-N;139.2;0.84;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNd_Na";;;;;;;0.87;;-1.88;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM426116;MM426116;C=COCCC1(CN)CC1;FSJOPOAAHYXBGE-UHFFFAOYSA-N;141.21;1.28;;;;;DOPC;MDCG;27;1;"MARTINI bead: SNd_Na";;;;;;;0.87;;-4.38;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM426117;MM426117;C=COC=CC(C#N)C=O;HVCCBTARDGEUTR-UHFFFAOYSA-N;137.14;1;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_Na";;;;;;;0.87;;-2.22;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM426118;MM426118;CCC12C=C(CN)C(C1)O2;MNHFYZKLWCLSPK-UHFFFAOYSA-N;139.2;0.82;;;;;DOPC;MDCG;27;1;"MARTINI bead: SNa_SNd";;;;;;;0.87;;-4.05;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM426119;MM426119;C#CCc1ccn(NC)n1;CUUQXXPYDOFVTQ-UHFFFAOYSA-N;135.17;0.23;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP1_SN0";;;;;;;0.34;;-1.53;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM426120;MM426120;C=C(C#N)CCN1CC1C;GBDDZHCMODOGGC-UHFFFAOYSA-N;136.2;1.16;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNd_N0";;;;;;;1.17;;-1.04;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM426121;MM426121;NCC1(CCOC=O)CC1;PLMUUXGGNNOQNX-UHFFFAOYSA-N;143.19;0.29;;;;;DOPC;MDCG;27;1;"MARTINI bead: SNd_P1";;;;;;;0.04;;-5.12;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM426122;MM426122;N=CN(C=N)C1CC1CO;XLJOBRVYELOCEW-UHFFFAOYSA-N;141.17;-0.12;;;;;DOPC;MDCG;27;1;"MARTINI bead: SNda_P2";;;;;;;-0.24;;-4.93;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM426123;MM426123;CCC12C=C(CO)C(C1)O2;PNTRDHYEPDTBMY-UHFFFAOYSA-N;140.18;0.86;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNa_SNda";;;;;;;0.87;;-1.99;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM426124;MM426124;C=CC(C=C)C=NNC=O;YSYBQWZOZHUENN-UHFFFAOYSA-N;138.17;0.71;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1_P4";;;;;;;0.85;;-0.64;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM426125;MM426125;C#CCc1ccn(OC)n1;APPDOVVHNCSZFY-UHFFFAOYSA-N;136.15;0.12;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNa_SN0";;;;;;;1.17;;-1.18;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM426126;MM426126;Cn1nccnc1=NN;MNBHMEHVDXRIAV-UHFFFAOYSA-N;125.14;-1.41;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP2_SP2";;;;;;;-1.34;;-4.31;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM426127;MM426127;O=COCCC1(CO)CC1;GVERSUCKQNRJRA-UHFFFAOYSA-N;144.17;0.32;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNda_P1";;;;;;;0.04;;-2.73;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM426128;MM426128;C=CN(C=N)C1CC1CF;YXXVFGZKTPVWKR-UHFFFAOYSA-N;142.18;1.4;;;;;DOPC;MDCG;27;1;"MARTINI bead: SC5_P1";;;;;;;0.81;;-3.96;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM426129;MM426129;C#CCc1cnn(CC)n1;MTZZKGTVTOBUGA-UHFFFAOYSA-N;135.17;0.47;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNa_SP1";;;;;;;0.04;;-2.54;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM426130;MM426130;O=CNN=CC(C=O)C=O;JRZKVHBAESFJPK-UHFFFAOYSA-N;142.11;-1.27;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_Na";;;;;;;-0.24;;-3.24;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM426131;MM426131;CCC12C=C(CF)C(C1)O2;BALWJEMYHMSMPV-UHFFFAOYSA-N;142.17;1.83;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNa_SC5";;;;;;;1.64;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM426132;MM426132;C=COCCC1(CF)CC1;BPYGCEMBHULFRW-UHFFFAOYSA-N;144.19;2.29;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC5_Na";;;;;;;1.64;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM426133;MM426133;C#CC(=C)CCC1CC1C;OHIMMPAUOPOUAM-UHFFFAOYSA-N;134.22;2.61;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC5_C5";;;;;;;2.41;;0.64;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM426134;MM426134;C=CN(C=O)C1CC1CF;XLBUVMZHSDHWCJ-UHFFFAOYSA-N;143.16;0.95;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC5_P2";;;;;;;0.54;;-1.09;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM426135;MM426135;C#CCc1ncn(CC)n1;JBCNKGMWXPMLAJ-UHFFFAOYSA-N;135.17;0.47;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP1_SNa";;;;;;;0.04;;-2.54;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM426136;MM426136;N#CC(C=O)C=NNC=O;HJCVJSBHVIETCG-UHFFFAOYSA-N;139.11;-0.94;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_Na";;;;;;;-0.24;;-3.24;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM426137;MM426137;O=COCCC1(CF)CC1;YXTBRMJLQBKAFW-UHFFFAOYSA-N;146.16;1.3;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC5_P1";;;;;;;0.81;;-0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM426138;MM426138;C#CC(=C)CCC1CC1N;KOUPWZCNFBHMHC-UHFFFAOYSA-N;135.21;1.3;;;;;DOPC;MDCG;27;1;"MARTINI bead: SNd_C5";;;;;;;1.64;;-2.54;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM426139;MM426139;CCC1=CC2(CN)CC1O2;QGMLFAHCGDCKJS-UHFFFAOYSA-N;139.2;0.82;;;;;DOPC;MDCG;27;1;"MARTINI bead: SC2_SP1";;;;;;;2;;-0.72;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM426140;MM426140;C#CCc1ncn(NC)n1;MZUGKGMZEFGPLC-UHFFFAOYSA-N;136.16;-0.37;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP2_SNa";;;;;;;-0.24;;-3.24;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM426141;MM426141;N=CN(C=N)C1CC1CF;URRFELZVCDKALV-UHFFFAOYSA-N;143.17;0.86;;;;;DOPC;MDCG;27;1;"MARTINI bead: SC5_P2";;;;;;;0.54;;-2.69;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM426142;MM426142;C#CC(=O)OCC1CC1C;KKGNSQWWDLIMLP-UHFFFAOYSA-N;138.17;0.82;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC5_P1";;;;;;;0.81;;-0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM426143;MM426143;C=CC(C=C)C=NOC=O;PMOSKPYGIHDMEP-UHFFFAOYSA-N;139.15;1.13;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1_P2";;;;;;;1.8;;0.4;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM426144;MM426144;C=NOCCC1(CC)CC1;FLOPGJOMOXTNCG-UHFFFAOYSA-N;141.21;2.2;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC3_P1";;;;;;;1.74;;0.29;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM426145;MM426145;NCC1=CC2(CN)CC1O2;JDVNQKYYOAWVFY-UHFFFAOYSA-N;140.19;-0.63;;;;;DOPC;MDCG;27;1;"MARTINI bead: SNd_SP1";;;;;;;0.04;;-5.05;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM426146;MM426146;C#CCc1ncn(OC)n1;FGTSLQJKWOCMIH-UHFFFAOYSA-N;137.14;-0.49;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP1_SNa";;;;;;;0.04;;-2.54;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM426147;MM426147;N=CN(C=O)C1CC1CF;ZEBKNTSMYBDNEN-UHFFFAOYSA-N;144.15;0.41;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC5_P3";;;;;;;-0.33;;-2.01;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM426148;MM426148;C#CC(=C)CCC1OC1C;IWXHDAOGIUTROZ-UHFFFAOYSA-N;136.19;1.74;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNa_C5";;;;;;;1.64;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM426149;MM426149;NCC12C=C(CO)C(C1)O2;NXERFKCSGZVAFF-UHFFFAOYSA-N;141.17;-0.59;;;;;DOPC;MDCG;27;1;"MARTINI bead: SP1_SNda";;;;;;;0.04;;-4.8;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM426150;MM426150;C=NOCCC1(CN)CC1;AHPBQMYUAIPYOJ-UHFFFAOYSA-N;142.2;0.75;;;;;DOPC;MDCG;27;1;"MARTINI bead: SNd_P1";;;;;;;0.04;;-5.12;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM426151;MM426151;C=CC(C#N)C=NOC=O;DQYYMLZMSWPVKQ-UHFFFAOYSA-N;138.13;0.47;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_P2";;;;;;;0.54;;-1.09;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM426152;MM426152;C#CCc1nnn(CC)n1;ZLMBLYRIOZQMIZ-UHFFFAOYSA-N;136.16;-0.13;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP1_SP1";;;;;;;-0.79;;-3.13;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM426153;MM426153;C=NN(C=N)C1CC1CC;ZOCJSBLTNWKSLV-UHFFFAOYSA-N;139.2;1.31;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC3_P2";;;;;;;1.46;;-0.15;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM426154;MM426154;NCC1=CC2(CO)CC1O2;UGJOZRIPXWQKHL-UHFFFAOYSA-N;141.17;-0.59;;;;;DOPC;MDCG;27;1;"MARTINI bead: SNd_SP1";;;;;;;0.04;;-4.8;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM426155;MM426155;CCC1(CNCC#N)CC1;QJKDUKWFQVQKIF-UHFFFAOYSA-N;138.21;1.29;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC3_P2";;;;;;;1.46;;-0.14;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM426156;MM426156;Cn1nncnc1=NN;VQRDWYWSAJCMRJ-UHFFFAOYSA-N;126.12;-2.02;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP3_SP3";;;;;;;-3.07;;-6.15;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM426157;MM426157;C=CC1C=CC(CCC)=C1;GNCGKRGQFYNGFK-UHFFFAOYSA-N;134.22;3.08;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC2_SC4";;;;;;;4.16;;0.44;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM426158;MM426158;C=CC=NNC(C#N)=NC;PPIYIUWUGKTMBV-UHFFFAOYSA-N;136.16;0.3;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_C4";;;;;;;1.09;;-0.38;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM426159;MM426159;C=C1CN(C)CCC1=O;MVFXJLXCEXZNBV-UHFFFAOYSA-N;125.17;0.45;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNd_SP2";;;;;;;-0.24;;-3.16;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM426160;MM426160;C#CC1(C)CC(C)(O)C1C;FLPAFVGKMKXOSW-UHFFFAOYSA-N;138.21;1.42;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNda_SC4";;;;;;;2.2;;0.49;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM426161;MM426161;C=CCNCC1(CN)CC1;HMTALUWCOCWFCD-UHFFFAOYSA-N;140.23;0.5;;;;;DOPC;MDCG;27;1;"MARTINI bead: SNd_Nd";;;;;;;0.87;;-4.54;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM426162;MM426162;N#CC(C=O)C=NOC=O;LEGJVGFKYZVCBR-UHFFFAOYSA-N;140.1;-0.52;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_Na";;;;;;;-0.24;;-3.24;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM426163;MM426163;OCC1=CC2(CO)CC1O2;NHMPYGCWVIDHNG-UHFFFAOYSA-N;142.15;-0.56;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNda_SP1";;;;;;;0.04;;-2.73;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM426164;MM426164;C=CC1C=CC(CCN)=C1;HWRLISIVOOKVMB-UHFFFAOYSA-N;135.21;1.63;;;;;DOPC;MDCG;27;1;"MARTINI bead: SNd_SC4";;;;;;;2.2;;-2.17;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM426165;MM426165;C=NN(C=N)C1CC1CF;FFKXODOHDRKDLD-UHFFFAOYSA-N;143.17;0.87;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC5_P2";;;;;;;0.54;;-1.09;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM426166;MM426166;CC(=CF)CCC1CC1C;HCGRLKKYVQQYIS-UHFFFAOYSA-N;142.22;3.3;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC5_C4";;;;;;;2.97;;0.45;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM426167;MM426167;C=CCc1coc(=NN)o1;JOCRGVUKOMBIHV-UHFFFAOYSA-N;140.14;0.38;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP2_C4";;;;;;;1.09;;-0.38;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM426169;MM426169;C=CN=CNC(C=C)C=C;NORDQYRIXXTHDD-UHFFFAOYSA-N;136.2;1.49;;;;;DOPC;MDCG;27;1;"MARTINI bead: N0_Nd";;;;;;;1.17;;-3.38;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM426168;MM426168;CCC12C=C(OC)C(C1)O2;UDCRIFKRVIDSDV-UHFFFAOYSA-N;140.18;1.47;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNa_SC5";;;;;;;1.64;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM426170;MM426170;CCCC1=CC(C=O)C=C1;JZQHEVBZXGIDPZ-UHFFFAOYSA-N;136.19;2.1;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC2_SNa";;;;;;;2.83;;0.35;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM426171;MM426171;COC1CC1N(C=N)C=O;SPHFNDSIJIEYEU-UHFFFAOYSA-N;142.16;-0.16;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNa_P3";;;;;;;-1.1;;-4.2;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM426172;MM426172;CC1CC1CCC(F)=CF;WUWPBJKLPDAEEA-UHFFFAOYSA-N;146.18;3.2;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC5_C5";;;;;;;2.41;;0.64;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM426173;MM426173;C=CCNCC1(CF)CC1;HDZUGZRGNYEVAA-UHFFFAOYSA-N;143.21;1.51;;;;;DOPC;MDCG;27;1;"MARTINI bead: SC5_Nd";;;;;;;1.64;;-1.97;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM426174;MM426174;C=CCC=CN(C=C)C=N;WVHFCRKAZXLBIT-UHFFFAOYSA-N;136.2;2.13;;;;;DOPC;MDCG;27;1;"MARTINI bead: C2_P2";;;;;;;1.72;;-2.75;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM426175;MM426175;COC1=CC2(CN)CC1O2;KANFMIQVJRCVBP-UHFFFAOYSA-N;141.17;0.02;;;;;DOPC;MDCG;27;1;"MARTINI bead: SC5_SP1";;;;;;;0.81;;-2.55;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM426176;MM426176;C=CC1C=CC(CNC)=C1;NWYBUYUFDAXMKS-UHFFFAOYSA-N;135.21;1.5;;;;;DOPC;MDCG;27;1;"MARTINI bead: SNd_SC4";;;;;;;2.2;;-1.76;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM426177;MM426177;C=CC(C#N)C1NC1CC;HTEIMWAKDDTJGU-UHFFFAOYSA-N;136.2;1.06;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNd_N0";;;;;;;1.17;;-1.04;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM426178;MM426178;N#CCNCC1(CF)CC1;FOEIHMGQPAAXCH-UHFFFAOYSA-N;142.18;0.85;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC5_P2";;;;;;;0.54;;-1.09;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM426179;MM426179;CC(CCC1CC1C)=NN;XOVHQADGGQIVEB-UHFFFAOYSA-N;140.23;1.76;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC5_Nd";;;;;;;1.64;;0.02;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM426180;MM426180;C=CN(C=O)C=CCC=O;BPXGXKWSYXHTJH-UHFFFAOYSA-N;139.15;0.69;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_Na";;;;;;;0.04;;-2.54;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM426181;MM426181;COC1=CC2(CO)CC1O2;CVKOTTBKJLPGPW-UHFFFAOYSA-N;142.15;0.05;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC5_SP1";;;;;;;0.81;;-0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM426182;MM426182;CNCC1=CC(C=O)C=C1;JVBAMXKVCBVJAV-UHFFFAOYSA-N;137.18;0.52;;;;;DOPC;MDCG;27;1;"MARTINI bead: SNd_SNa";;;;;;;0.87;;-4.12;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM426183;MM426183;CCC1(CNNC=N)CC1;SHAAGAFBDYZJCG-UHFFFAOYSA-N;141.22;0.88;;;;;DOPC;MDCG;27;1;"MARTINI bead: SC3_P4";;;;;;;0.52;;-4.35;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM426184;MM426184;CC(=O)C#CC1NC1C;QYBGEAJJGQYNRC-UHFFFAOYSA-N;123.16;-0.06;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP1_Na";;;;;;;0.04;;-2.54;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM426185;MM426185;C=CC1=CC2(CC)CC1C2;MNRXBQXCPUKSEV-UHFFFAOYSA-N;134.22;2.92;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC2_SC3";;;;;;;4.53;;0.32;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM426186;MM426186;CC(CCC1CC1C)=NO;PSPKFLPXQNBMPW-UHFFFAOYSA-N;141.21;2.27;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC5_Nda";;;;;;;1.64;;0.05;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM426187;MM426187;N=CN(C=N)C=CCC=O;HDIWIHWFPNCGCT-UHFFFAOYSA-N;139.16;0.61;;;;;DOPC;MDCG;27;1;"MARTINI bead: P2_Na";;;;;;;-0.24;;-4.87;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM426188;MM426188;CNCC1=CC(C#N)C=C1;KRQLOSFRBLONGD-UHFFFAOYSA-N;134.18;0.84;;;;;DOPC;MDCG;27;1;"MARTINI bead: SNd_SN0";;;;;;;1.17;;-3.03;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM426189;MM426189;C=COc1coc(=NN)o1;GSWDXQKPABNANT-UHFFFAOYSA-N;142.11;0.17;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_SP2";;;;;;;-1.06;;-3.82;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM426190;MM426190;C=CC(C=C)C1NC1CN;YJMQJKGVAQFSDZ-UHFFFAOYSA-N;138.21;0.27;;;;;DOPC;MDCG;27;1;"MARTINI bead: SP2_C2";;;;;;;1.72;;-1.25;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM426191;MM426191;CC(COC1CC1C)=NN;MVMZGMCWQKKUCJ-UHFFFAOYSA-N;142.2;0.75;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNa_Nd";;;;;;;0.87;;-1.88;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM426192;MM426192;CCC12C=C(C=O)C(C1)C2;LVROETATEWRVAU-UHFFFAOYSA-N;136.19;1.93;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC2_SNa";;;;;;;2.83;;0.35;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM426193;MM426193;O=CCC=CN(C=O)C=O;WSGROQQDMHOHJO-UHFFFAOYSA-N;141.13;-0.3;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_P2";;;;;;;-0.24;;-3.24;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM426194;MM426194;C=CC1C=CC(OCC)=C1;RJKIYJSMDPBSDE-UHFFFAOYSA-N;136.19;2.28;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC5_SC4";;;;;;;2.97;;0.45;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM426195;MM426195;CN=CNN=CCC#N;RKPVAQYSCMVGEN-UHFFFAOYSA-N;124.15;0.13;;;;;DOPC;MDCG;27;0;"MARTINI bead: N0_P1";;;;;;;0.34;;-1.53;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM426196;MM426196;NCC1(CNNC=O)CC1;SJQJVMYOMYNSAS-UHFFFAOYSA-N;143.19;-1.02;;;;;DOPC;MDCG;27;1;"MARTINI bead: SNd_P4";;;;;;;-1.19;;-6.7;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM426197;MM426197;CC(=CF)CCC1OC1C;REHBWWNPKAWWDL-UHFFFAOYSA-N;144.19;2.43;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNa_C4";;;;;;;2.2;;0.34;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM426198;MM426198;CCOC1=CC(C#N)C=C1;LDTYFCWPQDUDHJ-UHFFFAOYSA-N;135.17;1.62;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC5_SN0";;;;;;;1.94;;0.57;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM426199;MM426199;CCC12C=C(C#N)C(C1)C2;CDYKKACYSZHCMR-UHFFFAOYSA-N;133.19;2.26;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC2_SN0";;;;;;;3.13;;0.3;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM426200;MM426200;NN=c1occ(OC=O)o1;NAKCMLKGHWHMLT-UHFFFAOYSA-N;144.09;-0.82;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_SP2";;;;;;;-1.06;;-3.82;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM426201;MM426201;C=CN(C=N)C=CNC=N;YZQZQCCCGVOQLH-UHFFFAOYSA-N;138.17;0.71;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_P3";;;;;;;-1.1;;-7.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM426202;MM426202;C=CCNN=CC(F)(F)F;UXQATQBZRKYHDU-UHFFFAOYSA-N;152.12;1.31;;;;;DOPC;MDCG;27;0;"MARTINI bead: N0_Nd";;;;;;;1.17;;-1.04;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM426203;MM426203;CC=C(F)CCC1OC1C;YUUNLEFFHZMGTJ-UHFFFAOYSA-N;144.19;2.43;;;;;DOPC;MDCG;27;0;"MARTINI bead: C3_SNa";;;;;;;2.57;;0.45;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM426204;MM426204;C=Cn1ccc(CCC)c1;HMUZXQFRBCJHKV-UHFFFAOYSA-N;135.21;2.54;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC4_SN0";;;;;;;2.5;;0.44;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM426205;MM426205;C=CN(C=N)C=CNC=O;BFKDZDLNFXKGPJ-UHFFFAOYSA-N;139.16;0.26;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_P3";;;;;;;-1.1;;-7;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM426206;MM426206;C=CC1=CC2(CN)CC1C2;KPRGPGOLWFXASI-UHFFFAOYSA-N;135.21;1.47;;;;;DOPC;MDCG;27;1;"MARTINI bead: SNd_SC3";;;;;;;2.57;;-1.18;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM426207;MM426207;C=CC(C=C)C1NC1CF;ZNUAAVOWUGGRNI-UHFFFAOYSA-N;141.19;1.28;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP1_C2";;;;;;;2;;0.35;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM426208;MM426208;N=CNNCC1(CF)CC1;LIBOVOGIDXEDCG-UHFFFAOYSA-N;145.18;0.44;;;;;DOPC;MDCG;27;1;"MARTINI bead: SC5_P4";;;;;;;-0.41;;-5.6;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM426209;MM426209;C=Cn1ccc(CCN)c1;NSIFSFKHUQCBSZ-UHFFFAOYSA-N;136.2;1.09;;;;;DOPC;MDCG;27;1;"MARTINI bead: SNd_SN0";;;;;;;1.17;;-3.39;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM426210;MM426210;N=CN(C=N)C=CNC=O;VQWFOOUQZAMYTK-UHFFFAOYSA-N;140.15;-0.28;;;;;DOPC;MDCG;27;1;"MARTINI bead: P2_P3";;;;;;;-2.2;;-6.45;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM426211;MM426211;CCC(N)C=CC1CC1C;MTIZAVOQQMRHKJ-UHFFFAOYSA-N;139.24;1.94;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_SC5";;;;;;;1.64;;-2.39;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM426212;MM426212;C=NNC(C)=NC=C(C)F;IRVVTFMPEQKOMT-UHFFFAOYSA-N;143.17;1.44;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_P1";;;;;;;0.81;;-0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM426213;MM426213;COC1C=CN(C=N)N=C1;UALOTHCXQDHZIN-UHFFFAOYSA-N;139.16;0.42;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP1_SP1";;;;;;;-0.79;;-3.13;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM426214;MM426214;CC=Cc1coc(=NN)o1;ZNAMCCDCZCWMSJ-UHFFFAOYSA-N;140.14;0.68;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4_SP2";;;;;;;1.09;;-0.38;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM426215;MM426215;N=CNC=CN(C=N)C=O;BGZMROPOPOZYDK-UHFFFAOYSA-N;140.15;-0.28;;;;;DOPC;MDCG;27;1;"MARTINI bead: P3_P2";;;;;;;-2.2;;-8.55;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM426216;MM426216;CCCc1ccn(C=N)c1;WMDBNRAAOWZYMC-UHFFFAOYSA-N;136.2;1.9;;;;;DOPC;MDCG;27;1;"MARTINI bead: SC4_SNd";;;;;;;2.2;;-3.25;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM426217;MM426217;C=CC(C#N)C1NC1CF;ZOKOHXFYKSRDCD-UHFFFAOYSA-N;140.16;0.62;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP1_N0";;;;;;;0.34;;-1.53;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM426218;MM426218;CC1CC1C=CC(N)CN;BESASQNGWGUKFJ-UHFFFAOYSA-N;140.23;0.48;;;;;DOPC;MDCG;27;1;"MARTINI bead: SC5_P3";;;;;;;-0.33;;-4.12;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM426219;MM426219;CCC1(O)CC(C)(C)C1;RZBDQFMTKIKBRK-UHFFFAOYSA-N;128.22;1.95;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNda_SC3";;;;;;;2.57;;0.44;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM426220;MM426220;C=CCOCC1(CC)CC1;FSPOSGUWQHVTMV-UHFFFAOYSA-N;140.23;2.38;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC3_Na";;;;;;;2.57;;0.45;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM426221;MM426221;C=COC=CN(C=C)C=O;HYOHSPFUCXQYMI-UHFFFAOYSA-N;139.15;1.22;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_P2";;;;;;;0.54;;-1.09;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM426222;MM426222;N=Cn1ccc(CCN)c1;VCFBOPQXUWEWHQ-UHFFFAOYSA-N;137.19;0.44;;;;;DOPC;MDCG;27;1;"MARTINI bead: SNd_SNd";;;;;;;0.87;;-5.86;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM426223;MM426223;CC1CC1C=CC(N)CO;LFPKCJMANHVGFD-UHFFFAOYSA-N;141.21;0.52;;;;;DOPC;MDCG;27;1;"MARTINI bead: SC5_P2";;;;;;;0.54;;-2.94;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM426224;MM426224;C=C(C)C=NNC(=N)OC;BZYMOZCFGJNFBT-UHFFFAOYSA-N;141.17;0.72;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_C5";;;;;;;0.81;;-0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM426225;MM426225;CC(C)(O)CC1(C)CC1;ZRPINPGOJSVDKI-UHFFFAOYSA-N;128.22;1.95;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda_SC4";;;;;;;2.2;;0.49;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM426226;MM426226;CCC1(COCC=O)CC1;RELWWQOSFXOQEO-UHFFFAOYSA-N;142.2;1.39;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC3_P1";;;;;;;1.74;;0.29;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM426227;MM426227;O=COC=CN(C=O)C=O;SYUOBQBXZLYUQN-UHFFFAOYSA-N;143.1;-0.75;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_P2";;;;;;;-1.06;;-3.82;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM426228;MM426228;CCCc1ccn(C=O)c1;XRZJVQWBOVEQTP-UHFFFAOYSA-N;137.18;1.48;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC4_SNa";;;;;;;2.2;;0.34;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM426229;MM426229;CC1CC1C=CC(O)CN;QOLBXMCZFABPEY-UHFFFAOYSA-N;141.21;0.52;;;;;DOPC;MDCG;27;1;"MARTINI bead: SC5_P2";;;;;;;0.54;;-3.21;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM426230;MM426230;C=CC(C=C)C1OC1CC;SVCVNPBNXAQGRL-UHFFFAOYSA-N;138.21;2.15;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNa_C2";;;;;;;2.83;;0.35;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM426231;MM426231;C=CC1=CC2(CF)CC1C2;FLDVWAAWXAKHRD-UHFFFAOYSA-N;138.19;2.48;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC5_SC3";;;;;;;3.34;;0.48;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM426232;MM426232;C=NN(C=N)C=CNC=N;KESJPPFTGOOHQR-UHFFFAOYSA-N;139.16;0.18;;;;;DOPC;MDCG;27;1;"MARTINI bead: P2_P2";;;;;;;-1.34;;-7.64;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM426233;MM426233;CCC1(COCC#N)CC1;YGTUNIXPHOOUIJ-UHFFFAOYSA-N;139.2;1.72;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC3_P1";;;;;;;1.74;;0.29;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM426234;MM426234;NCCc1ccn(C=O)c1;NHPKACMWFIKPCW-UHFFFAOYSA-N;138.17;0.03;;;;;DOPC;MDCG;27;1;"MARTINI bead: SNd_SNa";;;;;;;0.87;;-3.89;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM426235;MM426235;C=CC(C=O)C1OC1CC;VHYSPCLWZDDALQ-UHFFFAOYSA-N;140.18;1.16;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNa_Na";;;;;;;0.87;;-2.22;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM426236;MM426236;CNC(C)C=CC1CC1C;BJOPAZNEKZIOTH-UHFFFAOYSA-N;139.24;1.81;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_SC5";;;;;;;1.64;;-2.31;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM426237;MM426237;O=CC1=CC2(CF)CC1C2;YJPDEOLYUSYWCC-UHFFFAOYSA-N;140.16;1.49;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC5_SNa";;;;;;;1.64;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM426238;MM426238;C=CCOCC1(CN)CC1;BFPVCOHOIOGXAO-UHFFFAOYSA-N;141.21;0.93;;;;;DOPC;MDCG;27;1;"MARTINI bead: SNd_Na";;;;;;;0.87;;-4.32;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM426239;MM426239;C=CCNN=C(C#N)C=C;PJHJPZJNOATTOH-UHFFFAOYSA-N;135.17;0.83;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_P2";;;;;;;0.54;;-1.09;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM426240;MM426240;C=Nn1ccc(CCC)c1;JCHWHFCSCRCMOZ-UHFFFAOYSA-N;136.2;1.9;;;;;DOPC;MDCG;27;1;"MARTINI bead: SC4_SN0";;;;;;;2.5;;-0.1;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM426241;MM426241;N#CC1=CC2(CF)CC1C2;BSIMHJJETMEMFW-UHFFFAOYSA-N;137.16;1.82;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC5_SN0";;;;;;;1.94;;0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM426242;MM426242;C=CC(C#N)C1OC1CC;HNSAFCWEIIRHOT-UHFFFAOYSA-N;137.18;1.49;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNa_N0";;;;;;;1.17;;-1.18;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM426243;MM426243;CNC(C)C=CC1CC1O;RUZVIWRZOQYPQY-UHFFFAOYSA-N;141.21;0.53;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_SNda";;;;;;;0.87;;-4.33;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM426244;MM426244;C=NN(C=O)C=CNC=N;LFTMNBOFHXYXSN-UHFFFAOYSA-N;140.15;-0.27;;;;;DOPC;MDCG;27;1;"MARTINI bead: P2_P2";;;;;;;-1.34;;-7.59;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM426245;MM426245;C=CCOCC1(CO)CC1;ZBBMNHRGGDAREN-UHFFFAOYSA-N;142.2;0.96;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNda_Na";;;;;;;0.87;;-1.99;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM426246;MM426246;C=Nn1ccc(CCN)c1;ALACIFDSAKBZGB-UHFFFAOYSA-N;137.19;0.45;;;;;DOPC;MDCG;27;1;"MARTINI bead: SNd_SN0";;;;;;;1.17;;-3.43;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM426247;MM426247;C=CC1=CC2(NC)CC1C2;NDEZRNNLRMOYBZ-UHFFFAOYSA-N;135.21;1.48;;;;;DOPC;MDCG;27;1;"MARTINI bead: SNd_SC3";;;;;;;2.57;;-0.99;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM426248;MM426248;CCC1OC1C(C#N)C=O;MKNBZGHUSJLPMF-UHFFFAOYSA-N;139.15;0.5;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNa_Na";;;;;;;0.87;;-2.22;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM426249;MM426249;COC(C)C=CC1CC1C;QMWFXXKNDIYIOM-UHFFFAOYSA-N;140.23;2.23;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_SC5";;;;;;;1.64;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM426250;MM426250;O=CCOCC1(CO)CC1;GLNOYJOBYLTQJX-UHFFFAOYSA-N;144.17;-0.03;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNda_P1";;;;;;;0.04;;-2.73;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM426251;MM426251;C=NN(C=N)C=COC=O;PDSSPDKXYARESA-UHFFFAOYSA-N;141.13;0.16;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_Na";;;;;;;-0.24;;-3.24;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM426252;MM426252;C=Nn1ccc(CNC)c1;VUZNAXDUQUMWSX-UHFFFAOYSA-N;137.19;0.67;;;;;DOPC;MDCG;27;1;"MARTINI bead: SNd_SN0";;;;;;;1.17;;-2.92;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM426253;MM426253;CNC12C=C(C=O)C(C1)C2;NXGMYVNIATYGTI-UHFFFAOYSA-N;137.18;0.49;;;;;DOPC;MDCG;27;1;"MARTINI bead: SNd_SNa";;;;;;;0.87;;-3.85;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM426254;MM426254;C=CC(C=C)C1OC1CF;DYTJYNXOJXGNDQ-UHFFFAOYSA-N;142.17;1.71;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNa_C2";;;;;;;2.83;;0.35;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM426255;MM426255;CC(C=CC1OC1C)CF;KCEJVRGDOIKORU-UHFFFAOYSA-N;144.19;1.94;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4_SNa";;;;;;;2.2;;0.34;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM426256;MM426256;N#CCOCC1(CO)CC1;AVFCFFOLIIHUJK-UHFFFAOYSA-N;141.17;0.3;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNda_P1";;;;;;;0.04;;-2.73;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM426257;MM426257;C=NN(C=O)C=COC=O;AYBKQGDFGVKKBY-UHFFFAOYSA-N;142.11;-0.3;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_Na";;;;;;;-0.24;;-3.24;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM426258;MM426258;C=Cn1ccc(NCC)c1;PFWKCAUALIUNAW-UHFFFAOYSA-N;136.2;2.02;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC5_SN0";;;;;;;1.94;;0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM426259;MM426259;N#CC(C=O)C1OC1CF;HBJDPXSNYQXXKM-UHFFFAOYSA-N;143.12;0.06;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNa_Na";;;;;;;0.87;;-2.22;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM426260;MM426260;CNC12C=C(C#N)C(C1)C2;VHRPNCPKDFCTSF-UHFFFAOYSA-N;134.18;0.82;;;;;DOPC;MDCG;27;1;"MARTINI bead: SNd_SN0";;;;;;;1.17;;-2.29;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM426261;MM426261;CCC(C)N=CN1CC1C;GTABNTIAGAQXKT-UHFFFAOYSA-N;140.23;1.52;;;;;DOPC;MDCG;27;1;"MARTINI bead: N0_SNd";;;;;;;1.17;;-3.12;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM426262;MM426262;C=CCOCC1(CF)CC1;LDIIQCZPKQOUNX-UHFFFAOYSA-N;144.19;1.94;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC5_Na";;;;;;;1.64;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM426263;MM426263;C=CCN=CN(C=C)C=O;MJYWXPUIQAKQJH-UHFFFAOYSA-N;138.17;0.8;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_P2";;;;;;;0.54;;-1.09;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM426264;MM426264;CCNc1ccn(C=N)c1;TVKUTNVAZJEJLO-UHFFFAOYSA-N;137.19;1.38;;;;;DOPC;MDCG;27;1;"MARTINI bead: SC5_SNd";;;;;;;1.64;;-5;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM426265;MM426265;C#CC(C)N=C(C)NN=C;KRRUVAUIUGZVDZ-UHFFFAOYSA-N;137.19;0.63;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_P1";;;;;;;0.81;;-0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM426266;MM426266;C=CC1=CC2(OC)CC1C2;UIJIPIZYFCSLGM-UHFFFAOYSA-N;136.19;1.91;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNa_SC3";;;;;;;2.57;;0.45;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM426267;MM426267;CCC(C)C=NN1CC1C;ZQLNMXHQFBKEQQ-UHFFFAOYSA-N;140.23;1.72;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1_SP2";;;;;;;1.8;;0.4;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM426268;MM426268;O=CCOCC1(CF)CC1;WKMMHLHIHINHMY-UHFFFAOYSA-N;146.16;0.95;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC5_P1";;;;;;;0.81;;-0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM426269;MM426269;CC#CC1C=CC(=NN)C1;UHIBGUBEQBAHDX-UHFFFAOYSA-N;134.18;0.9;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC4_SNd";;;;;;;2.2;;0.32;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM426270;MM426270;C=CC(C#N)C1CN1CC;XEYSAYJMVYYKSG-UHFFFAOYSA-N;136.2;1.02;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNd_N0";;;;;;;1.17;;-1.04;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM426271;MM426271;CCNc1ccn(C=O)c1;DFUSFXBCKCFOSB-UHFFFAOYSA-N;138.17;0.96;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC5_SNa";;;;;;;1.64;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM426272;MM426272;COC12C=C(C=O)C(C1)C2;VLWGMPHAJLEPFI-UHFFFAOYSA-N;138.17;0.92;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNa_SNa";;;;;;;0.87;;-2.22;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM426273;MM426273;C=CC(N)C=CC1CC1C;FOYCBSLHWVHHHP-UHFFFAOYSA-N;137.23;1.71;;;;;DOPC;MDCG;27;1;"MARTINI bead: SC5_Nd";;;;;;;1.64;;-1.83;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM426274;MM426274;N#CCOCC1(CF)CC1;IWZPTECXSRQOJT-UHFFFAOYSA-N;143.16;1.28;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC5_P1";;;;;;;0.81;;-0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM426275;MM426275;C#CC12CCC(O)C1C2C;AKZLEWNEMPMLRS-UHFFFAOYSA-N;136.19;1.03;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNda_SC4";;;;;;;2.2;;0.49;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM426276;MM426276;CCN1CC1C(C=O)C=O;MMRIYKMZXVMGQQ-UHFFFAOYSA-N;141.17;-0.3;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNd_Na";;;;;;;0.87;;-1.88;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM426277;MM426277;C=Nn1ccc(NCC)c1;XCQFHEJFZZOWDB-UHFFFAOYSA-N;137.19;1.38;;;;;DOPC;MDCG;27;1;"MARTINI bead: SC5_SN0";;;;;;;1.94;;-0.82;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM426278;MM426278;CC1CC1C=CN(C)C=N;JAKJCTSTGKRRAY-UHFFFAOYSA-N;138.21;1.69;;;;;DOPC;MDCG;27;1;"MARTINI bead: SC5_P2";;;;;;;0.54;;-5.08;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM426279;MM426279;COC12C=C(C#N)C(C1)C2;FSMMPIFYUZEYHJ-UHFFFAOYSA-N;135.17;1.25;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNa_SN0";;;;;;;1.17;;-1.18;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM426280;MM426280;C=CCN=CN(C=O)C=O;HHNJHCBFLJOZNK-UHFFFAOYSA-N;140.14;-0.18;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_P2";;;;;;;-1.06;;-3.82;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM426281;MM426281;CCC1(CONC=O)CC1;UMMOXJJJQKRDCP-UHFFFAOYSA-N;143.19;0.85;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC3_P2";;;;;;;1.46;;-0.15;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM426282;MM426282;CCN1CC1C(C#N)C#N;MSOWUHSFPWZLIJ-UHFFFAOYSA-N;135.17;0.35;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNd_P2";;;;;;;-0.24;;-3.16;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM426283;MM426283;C=CC(F)C=CC1CN1C;LBPFKZBJXITOGA-UHFFFAOYSA-N;141.19;1.38;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNd_C4";;;;;;;2.2;;0.32;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM426284;MM426284;C=Cn1ccc(OCC)c1;RLAAPMRHWMRYHL-UHFFFAOYSA-N;137.18;1.99;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNa_SN0";;;;;;;1.17;;-1.18;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM426285;MM426285;C=CC1=CC2(CC)CC1N2;OJENDGZYAQAHHG-UHFFFAOYSA-N;135.21;1.62;;;;;DOPC;MDCG;27;1;"MARTINI bead: SNd_SC3";;;;;;;2.57;;-0.28;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM426286;MM426286;O=CCN=CN(C=O)C=O;TYHNPHISIQWOPP-UHFFFAOYSA-N;142.11;-1.17;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_P4";;;;;;;-1.19;;-4.76;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM426287;MM426287;N=CNOCC1(CN)CC1;SKTIZRFLKAXFKP-UHFFFAOYSA-N;143.19;-0.15;;;;;DOPC;MDCG;27;1;"MARTINI bead: SNd_P3";;;;;;;-1.1;;-6.21;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM426288;MM426288;C=CC(C=C)N1CC1CC;ASWKTCCZLXSBDJ-UHFFFAOYSA-N;137.23;1.82;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP1_Nd";;;;;;;0.04;;-2.63;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM426289;MM426289;C#CC(C)C=CC1CC1C;AFHKHPCVOXEAFI-UHFFFAOYSA-N;134.22;2.47;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC5_C4";;;;;;;2.97;;0.45;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM426290;MM426290;CCC12C=C(C#N)C(C1)N2;QQZDNHKBGZJYFM-UHFFFAOYSA-N;134.18;0.96;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNd_SN0";;;;;;;1.17;;-1.04;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM426291;MM426291;CCOc1ccn(C=N)c1;YZSPWAGLZWSTDJ-UHFFFAOYSA-N;138.17;1.34;;;;;DOPC;MDCG;27;1;"MARTINI bead: SNa_SNd";;;;;;;0.87;;-4.62;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM426292;MM426292;C=CN(C=C)C=NNC=O;AKTFZNSGAFSGSQ-UHFFFAOYSA-N;139.16;0.26;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nd_P2";;;;;;;-0.24;;-3.16;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM426293;MM426293;NCC1(CONC=O)CC1;LOJLWFBBZVQVFT-UHFFFAOYSA-N;144.17;-0.6;;;;;DOPC;MDCG;27;1;"MARTINI bead: SNd_P2";;;;;;;-0.24;;-5.57;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM426294;MM426294;CC1CCC(C)(C)CC1O;ZQNVSBUBNVRLOM-UHFFFAOYSA-N;142.24;2.19;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC5_SC1";;;;;;;3.68;;0.46;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM426295;MM426295;C#CC(C)C=CC1CN1C;SXDAZLANXWWSOO-UHFFFAOYSA-N;135.21;1.13;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4_SNd";;;;;;;2.2;;0.32;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM426296;MM426296;C=CC1=CC2(CN)CC1N2;FYCGWUPUAOGXKQ-UHFFFAOYSA-N;136.2;0.17;;;;;DOPC;MDCG;27;1;"MARTINI bead: SP2_SC3";;;;;;;1.46;;-2.04;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM426297;MM426297;C=Nn1ccc(OCC)c1;GWXCJTSMCNIRIR-UHFFFAOYSA-N;138.17;1.35;;;;;DOPC;MDCG;27;1;"MARTINI bead: SNa_SN0";;;;;;;1.17;;-2.73;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM426298;MM426298;C=CN(C=O)C=NNC=O;ZSSZSDPNRKRDAV-UHFFFAOYSA-N;141.13;-0.72;;;;;DOPC;MDCG;27;0;"MARTINI bead: N0_P3";;;;;;;-0.8;;-2.99;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM426299;MM426299;C=CC(C#N)N1CC1CC;CYVSVZIUDVKWEU-UHFFFAOYSA-N;136.2;1.16;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP1_P1";;;;;;;-0.79;;-3.13;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM426300;MM426300;N=CNOCC1(CO)CC1;CNKCPLGPQAHWEH-UHFFFAOYSA-N;144.17;-0.11;;;;;DOPC;MDCG;27;1;"MARTINI bead: SNda_P3";;;;;;;-1.1;;-5.75;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM426301;MM426301;C=C(C=CC1CC1C)CC;LGWYIORFAWUXRK-UHFFFAOYSA-N;136.24;3.16;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1_SC5";;;;;;;3.68;;0.46;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM426302;MM426302;CNN=C(C)C(F)(F)F;RUAOKLGURLZDOJ-UHFFFAOYSA-N;140.11;1.14;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nd_N0";;;;;;;1.17;;-1.04;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM426303;MM426303;C=Cn1cc(CCC)cn1;BCNLSQPEHGSCOM-UHFFFAOYSA-N;136.2;1.94;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC5_SNa";;;;;;;1.64;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM426304;MM426304;C=Cc1c[nH]c(N=N)c1N;BMBZHHLPVOXTIX-UHFFFAOYSA-N;136.16;1.9;;;;;DOPC;MDCG;27;0;"MARTINI bead: SN0_SP1";;;;;;;0.34;;-1.53;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM426305;MM426305;CCC1CN1C(C=O)C=O;FJLIQEGXHSZLKF-UHFFFAOYSA-N;141.17;-0.15;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP1_P4";;;;;;;-2.01;;-5.13;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM426306;MM426306;C=C(C=CC1CC1C)CN;RRTSASKSCNSMAB-UHFFFAOYSA-N;137.23;1.71;;;;;DOPC;MDCG;27;1;"MARTINI bead: SC5_Nd";;;;;;;1.64;;-2.1;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM426307;MM426307;O=CNOCC1(CO)CC1;PFJQZBXGMAIHIN-UHFFFAOYSA-N;145.16;-0.56;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNda_P2";;;;;;;-0.24;;-3.31;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM426308;MM426308;N#CC1=CC2(CF)CC1N2;VCVALXAYNYIGDN-UHFFFAOYSA-N;138.15;0.52;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP1_SN0";;;;;;;0.34;;-1.53;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM426309;MM426309;C=Cn1cc(CCN)cn1;DOCQNQDFWKRLPF-UHFFFAOYSA-N;137.19;0.48;;;;;DOPC;MDCG;27;1;"MARTINI bead: SP1_SNa";;;;;;;0.04;;-4.77;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM426310;MM426310;C=CN(C=NOC=O)N=C;MYRXJVKDJBUUAF-UHFFFAOYSA-N;141.13;0.16;;;;;DOPC;MDCG;27;0;"MARTINI bead: N0_P2";;;;;;;0.06;;-2.21;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM426311;MM426311;CC1CN1C=CC(=N)NN;LXWATFASWGBCQX-UHFFFAOYSA-N;140.19;-0.36;;;;;DOPC;MDCG;27;1;"MARTINI bead: SNd_P2";;;;;;;-0.24;;-6.32;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM426312;MM426312;CCC1CN1C(C#N)C#N;JKSYPKGBDRNACU-UHFFFAOYSA-N;135.17;0.5;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP1_P2";;;;;;;-1.06;;-3.82;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM426313;MM426313;C=CC1=CC2(CC)CC1O2;HCRHYKAWPIUYSE-UHFFFAOYSA-N;136.19;2.05;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNa_SC3";;;;;;;2.57;;0.45;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM426314;MM426314;N=Cn1cc(CCN)cn1;YSALOVCPPCBMQT-UHFFFAOYSA-N;138.17;-0.16;;;;;DOPC;MDCG;27;1;"MARTINI bead: SP1_SP1";;;;;;;-0.79;;-5.37;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM426315;MM426315;N=CNOCC1(CF)CC1;HKSHBTKFIBUQFI-UHFFFAOYSA-N;146.17;0.86;;;;;DOPC;MDCG;27;1;"MARTINI bead: SC5_P4";;;;;;;-0.41;;-4.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM426316;MM426316;C#CC(=O)C1C(C#C)N1C;MVWRVJOCZVEKAE-UHFFFAOYSA-N;133.15;-0.5;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP1_P1";;;;;;;-0.79;;-3.13;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM426317;MM426317;CC1CN1C=CC(=N)NO;KXBYVAGAYIILFA-UHFFFAOYSA-N;141.17;0.16;;;;;DOPC;MDCG;27;1;"MARTINI bead: SNd_P2";;;;;;;-0.24;;-5.14;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM426318;MM426318;C=CC(C=C)N1CC1CN;QLPLJGFEWMIYRE-UHFFFAOYSA-N;138.21;0.37;;;;;DOPC;MDCG;27;1;"MARTINI bead: SP2_Nd";;;;;;;-0.24;;-5.1;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM426319;MM426319;CCC12C=C(C=O)C(C1)O2;GKXRNRNPSVVBRB-UHFFFAOYSA-N;138.17;1.06;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNa_SNa";;;;;;;0.87;;-2.22;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM426320;MM426320;CCCc1cnn(C=O)c1;MNWLMLRGWXDKDK-UHFFFAOYSA-N;138.17;0.87;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC5_SP1";;;;;;;0.81;;-0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM426321;MM426321;O=CNOCC1(CF)CC1;XWEIPLWTZPWUOV-UHFFFAOYSA-N;147.15;0.41;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC5_P4";;;;;;;-0.41;;-2.78;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM426322;MM426322;C=CN(C=N)N=CCC#N;VBICLLFFBBDZSS-UHFFFAOYSA-N;136.16;0.94;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_N0";;;;;;;0.06;;-2.21;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM426323;MM426323;CC1CN1C=NC(=N)NO;KZRZIKYFQASKOO-UHFFFAOYSA-N;142.16;-0.37;;;;;DOPC;MDCG;27;1;"MARTINI bead: SNd_P4";;;;;;;-1.19;;-8.24;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM426324;MM426324;CCC12C=C(C#N)C(C1)O2;PGIJRHJEWNSORO-UHFFFAOYSA-N;135.17;1.39;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNa_SN0";;;;;;;1.17;;-1.18;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM426325;MM426325;C#CCC#CC(=N)NN=C;QHZIHDDXIQMMOG-UHFFFAOYSA-N;133.15;0.2;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_C5";;;;;;;0.81;;-0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM426326;MM426326;C=CCCCC1(NC)CC1;RXPRYPFRXZXBAJ-UHFFFAOYSA-N;139.24;2.09;;;;;DOPC;MDCG;27;1;"MARTINI bead: SNd_C1";;;;;;;2.91;;-0.65;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM426327;MM426327;NCCc1cnn(C=O)c1;GJDDMTITTSTFMG-UHFFFAOYSA-N;139.16;-0.58;;;;;DOPC;MDCG;27;1;"MARTINI bead: SP1_SP1";;;;;;;-0.79;;-5.03;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM426328;MM426328;C=CN(C=N)N=COC=O;MSRPGVSWBSZBBE-UHFFFAOYSA-N;141.13;0.16;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_Na";;;;;;;-0.24;;-3.24;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM426329;MM426329;CC(=O)C(=N)N(C)OC=O;TTZLOHKSJGCLEO-UHFFFAOYSA-N;144.13;-0.43;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_Na";;;;;;;-0.24;;-3.24;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM426330;MM426330;CC1CN1N=CC(=O)CO;WCTKLPKBGYUIBX-UHFFFAOYSA-N;142.16;-0.76;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP2_P2";;;;;;;-1.34;;-4.31;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM426331;MM426331;CNC1(CCCC#N)CC1;UJIGHHLXEJRMHP-UHFFFAOYSA-N;138.21;1.43;;;;;DOPC;MDCG;27;1;"MARTINI bead: SNd_N0";;;;;;;1.17;;-3.94;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM426332;MM426332;C=Nn1cc(CCC)cn1;RBWBSLKTPXJBNW-UHFFFAOYSA-N;137.19;1.3;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC5_SP1";;;;;;;0.81;;-0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM426333;MM426333;C=CC1=CC2(CN)CC1O2;AYQTZSSBIXMSHZ-UHFFFAOYSA-N;137.18;0.6;;;;;DOPC;MDCG;27;1;"MARTINI bead: SP1_SC3";;;;;;;1.74;;-1.41;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM426334;MM426334;N=CN(C=N)N=COC=O;NEXIEOIWHKDZIG-UHFFFAOYSA-N;142.12;-0.38;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_P1";;;;;;;-1.06;;-3.82;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM426335;MM426335;N#CC(C#N)N1CC1CO;FSYMJOBEKJESPX-UHFFFAOYSA-N;137.14;-0.92;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP2_P2";;;;;;;-1.34;;-4.31;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM426336;MM426336;C=CC(=O)C=CN1CC1C;SRPBYDAGFLYJRD-UHFFFAOYSA-N;137.18;0.96;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNd_Na";;;;;;;0.87;;-1.88;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM426337;MM426337;CNC1(CCNC=N)CC1;DKEBCWUZCGAHOR-UHFFFAOYSA-N;141.22;0.33;;;;;DOPC;MDCG;27;1;"MARTINI bead: SNd_P3";;;;;;;-1.1;;-8.04;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM426338;MM426338;C=Nn1cc(CCN)cn1;MQXVZDMKQXYOMX-UHFFFAOYSA-N;138.17;-0.15;;;;;DOPC;MDCG;27;1;"MARTINI bead: SP1_SP1";;;;;;;-0.79;;-5.34;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM426339;MM426339;C=CC1=CC2(CO)CC1O2;AQKIWUPOUDLHAF-UHFFFAOYSA-N;138.17;0.63;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP1_SC3";;;;;;;1.74;;0.29;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM426340;MM426340;O=COC=NN(C=O)C=O;FMQHUGFBDFXJBS-UHFFFAOYSA-N;144.09;-1.28;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_P2";;;;;;;-1.06;;-3.82;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM426341;MM426341;C=Cn1cc(NCC)cn1;HSOWQPACDDWRLV-UHFFFAOYSA-N;137.19;1.42;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNd_SNa";;;;;;;0.87;;-1.88;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM426342;MM426342;CC1CN1C=CC(=O)C#N;MAYUNXACUMPNNP-UHFFFAOYSA-N;136.15;0.3;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNd_P1";;;;;;;0.04;;-2.63;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM426343;MM426343;C=CC(C=C)N1CC1CF;KDBYUJNLVBAWLG-UHFFFAOYSA-N;141.19;1.38;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP1_Nd";;;;;;;0.04;;-2.63;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM426344;MM426344;CNC1(CCNC=O)CC1;OVVLLPOYMIMBOP-UHFFFAOYSA-N;142.2;-0.13;;;;;DOPC;MDCG;27;1;"MARTINI bead: SNd_P3";;;;;;;-1.1;;-6.53;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM426345;MM426345;O=CC1=CC2(CO)CC1O2;WBYLGMISFAIXQR-UHFFFAOYSA-N;140.14;-0.35;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP1_SNa";;;;;;;0.04;;-2.54;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM426346;MM426346;C=NOC=NN(C=O)C=O;AZXJTGHCCBFIPD-UHFFFAOYSA-N;143.1;-0.82;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_P2";;;;;;;-1.06;;-3.82;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM426347;MM426347;CCNc1cnn(C=O)c1;QFHLZOFETLBFEA-UHFFFAOYSA-N;139.16;0.35;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNd_SP1";;;;;;;0.04;;-2.63;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM426348;MM426348;C=CN(C=O)N1CC1CO;ZPGNHOCYXSAAMW-UHFFFAOYSA-N;142.16;-0.82;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP2_P2";;;;;;;-1.34;;-4.31;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM426349;MM426349;C=CC(=O)C=NN1CC1C;BRNJMECXFNHPIW-UHFFFAOYSA-N;138.17;0.43;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP2_Na";;;;;;;-0.24;;-3.24;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM426350;MM426350;C=COCCC1(NC)CC1;HSQVYRHSUWIDLK-UHFFFAOYSA-N;141.21;1.29;;;;;DOPC;MDCG;27;1;"MARTINI bead: SNd_Na";;;;;;;0.87;;-4.55;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM426351;MM426351;N#CC1=CC2(CO)CC1O2;MRUBCUMJNWDJOE-UHFFFAOYSA-N;137.14;-0.03;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP1_SN0";;;;;;;0.34;;-1.53;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM426352;MM426352;C#CCC=CC(C=C)C=C;WKIOWIUSRWQRQN-UHFFFAOYSA-N;132.21;2.55;;;;;DOPC;MDCG;27;0;"MARTINI bead: C2_C5";;;;;;;3.6;;0.34;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM426353;MM426353;C=Nn1cc(NCC)cn1;ZXEDMNPNQRLLBD-UHFFFAOYSA-N;138.17;0.78;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNd_SP1";;;;;;;0.04;;-2.63;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM426354;MM426354;N=CN(C=O)N1CC1CF;MNFYAKVCGONQAF-UHFFFAOYSA-N;145.14;-0.38;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP1_P4";;;;;;;-2.01;;-5.13;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM426355;MM426355;CC1CN1N=CC(=O)C=O;JHMXAJPHOIKRTH-UHFFFAOYSA-N;140.14;-0.56;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP2_P1";;;;;;;-1.06;;-3.82;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM426356;MM426356;CNC1(CCOC=O)CC1;LFMJKZLYCQQAMT-UHFFFAOYSA-N;143.19;0.3;;;;;DOPC;MDCG;27;1;"MARTINI bead: SNd_P1";;;;;;;0.04;;-5.29;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM426357;MM426357;C#CCC=CC(C=C)C=O;BJEPZPNBRGMIJJ-UHFFFAOYSA-N;134.18;1.57;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_C5";;;;;;;1.64;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM426358;MM426358;C=CC1=CC2(CF)CC1O2;VOYLAKGZEOPJLN-UHFFFAOYSA-N;140.16;1.61;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNa_SC3";;;;;;;2.57;;0.45;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM426359;MM426359;CCOc1cnn(C=O)c1;KCIPECGQMXKKNR-UHFFFAOYSA-N;140.14;0.32;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNa_SP1";;;;;;;0.04;;-2.54;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM426360;MM426360;C#CC(C=C)C1CC1CC;KIXGBVTZYHCOHX-UHFFFAOYSA-N;134.22;2.47;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC3_C5";;;;;;;3.34;;0.48;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM426361;MM426361;C#CC(=O)C=CN1CC1C;FJYXLVSQMNGHNP-UHFFFAOYSA-N;135.17;0.41;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNd_Na";;;;;;;0.87;;-1.88;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM426362;MM426362;C=NOCCC1(NC)CC1;PYFKSLNWHQXYQU-UHFFFAOYSA-N;142.2;0.76;;;;;DOPC;MDCG;27;1;"MARTINI bead: SNd_Na";;;;;;;0.87;;-4.55;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM426363;MM426363;C#CCC=CC(C#N)C=C;JBMXMZYNCWYMBQ-UHFFFAOYSA-N;131.18;1.89;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_C5";;;;;;;2.41;;0.64;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM426364;MM426364;C#CC1=CC2(CC)CC1C2;KPBMFLAHHNUYGX-UHFFFAOYSA-N;132.21;2.37;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC2_SC5";;;;;;;3.6;;0.34;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM426365;MM426365;C=Cn1cnc(CCC)c1;RZVBCVMMIWEDPV-UHFFFAOYSA-N;136.2;1.94;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNa_SP1";;;;;;;0.04;;-2.54;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM426366;MM426366;C#CC(C=O)C1CC1CC;PBOFDBMYXRPNJK-UHFFFAOYSA-N;136.19;1.48;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC3_Na";;;;;;;2.57;;0.45;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM426367;MM426367;C#CC(=C)C=NN1CC1C;LGBGVIIHQYXRNN-UHFFFAOYSA-N;134.18;0.87;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP2_C5";;;;;;;0.54;;-1.09;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM426368;MM426368;C=CCNCC1(NC)CC1;FQNMVTUATXTYPE-UHFFFAOYSA-N;140.23;0.51;;;;;DOPC;MDCG;27;1;"MARTINI bead: SNd_Nd";;;;;;;0.87;;-4.24;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM426369;MM426369;N=Cn1cnc(CCN)c1;NNKPKFZOIUVIHG-UHFFFAOYSA-N;138.17;-0.16;;;;;DOPC;MDCG;27;1;"MARTINI bead: SP2_SP2";;;;;;;-1.34;;-6.47;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM426370;MM426370;C#CC1=CC2(CN)CC1C2;PUITZIVBYMPVEE-UHFFFAOYSA-N;133.19;0.91;;;;;DOPC;MDCG;27;1;"MARTINI bead: SNd_SC5";;;;;;;1.64;;-2.35;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM426371;MM426371;C#CCC=CC(C#N)C#N;NDDIOXAMVBLPGI-UHFFFAOYSA-N;130.15;1.23;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_P1";;;;;;;0.81;;-0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM426372;MM426372;C#CC(C#N)C1CC1CC;LSWKTZAFZAGEFG-UHFFFAOYSA-N;133.19;1.81;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC3_N0";;;;;;;2.87;;0.37;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM426373;MM426373;CC=C(C)C=CC1CC1C;PTKPCERYSLUWRU-UHFFFAOYSA-N;136.24;3.16;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1_SC5";;;;;;;3.68;;0.46;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM426374;MM426374;CCCc1cn(C=O)cn1;ZGMXLIMLRVOBNK-UHFFFAOYSA-N;138.17;0.87;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNa_SP2";;;;;;;-0.24;;-3.24;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM426375;MM426375;CNC1(CNCC#N)CC1;MNWLBSSGFKMVKH-UHFFFAOYSA-N;139.2;-0.15;;;;;DOPC;MDCG;27;1;"MARTINI bead: SNd_P2";;;;;;;-0.24;;-5.07;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM426376;MM426376;C#CCC=CN(C=C)C=N;QCZJGDZFPVMYNH-UHFFFAOYSA-N;134.18;1.58;;;;;DOPC;MDCG;27;1;"MARTINI bead: P2_C5";;;;;;;0.54;;-4.5;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM426377;MM426377;C#CC(C=C)C1CC1CN;SKPJHMDQNZLEQN-UHFFFAOYSA-N;135.21;1.02;;;;;DOPC;MDCG;27;1;"MARTINI bead: SNd_C5";;;;;;;1.64;;-2.7;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM426378;MM426378;CC(C)(C)C1NC1C=O;CYMACVPWFFRLCX-UHFFFAOYSA-N;127.19;0.57;;;;;DOPC;MDCG;27;0;"MARTINI bead: C3_SP2";;;;;;;1.46;;-0.15;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM426379;MM426379;CC(C=CC1CC1N)=NO;ZZWONCGQRZDDBT-UHFFFAOYSA-N;140.19;0.74;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nda_SNd";;;;;;;0.87;;-4.49;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM426380;MM426380;NCCc1cn(C=O)cn1;DDTMHEKFVMCLSR-UHFFFAOYSA-N;139.16;-0.58;;;;;DOPC;MDCG;27;1;"MARTINI bead: SP2_SP2";;;;;;;-1.34;;-6.12;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM426381;MM426381;CNC1(CNNC=N)CC1;PQNPEHRSNVUJRS-UHFFFAOYSA-N;142.21;-0.56;;;;;DOPC;MDCG;27;1;"MARTINI bead: SNd_P4";;;;;;;-1.19;;-7.67;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM426382;MM426382;C#CC1=CC2(CF)CC1C2;BRIJKQWARXFVDS-UHFFFAOYSA-N;136.17;1.93;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC5_SC5";;;;;;;2.41;;0.64;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM426383;MM426383;C#CCC=CN(C=N)C=N;XBUUCWITUBZMNL-UHFFFAOYSA-N;135.17;1.04;;;;;DOPC;MDCG;27;1;"MARTINI bead: P2_N0";;;;;;;0.06;;-3.79;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM426384;MM426384;CN1CC1CC(=O)C=CN;QRZRIYYQEXNMSA-UHFFFAOYSA-N;140.19;-0.27;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP1_P2";;;;;;;-1.06;;-3.82;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM426385;MM426385;CC1CN1N=CC(F)=CF;KYDDHOWNFOZUSJ-UHFFFAOYSA-N;146.14;1.46;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP2_C5";;;;;;;0.54;;-1.09;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM426386;MM426386;C=Nn1cnc(CCN)c1;RQFBKKSZFACKBD-UHFFFAOYSA-N;138.17;-0.15;;;;;DOPC;MDCG;27;1;"MARTINI bead: SP2_SP1";;;;;;;-1.06;;-5.96;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM426387;MM426387;C#CC1=CC2(NC)CC1C2;SINDYEVQPXWZIC-UHFFFAOYSA-N;133.19;0.93;;;;;DOPC;MDCG;27;1;"MARTINI bead: SNd_SC5";;;;;;;1.64;;-2.04;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM426388;MM426388;C=CCOCC1(NC)CC1;HQGAAVHVQUNHHW-UHFFFAOYSA-N;141.21;0.94;;;;;DOPC;MDCG;27;1;"MARTINI bead: SNd_Na";;;;;;;0.87;;-3.94;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM426389;MM426389;C#CC1(C)CN=C(C#N)N1;ZRDBACKINYZEDZ-UHFFFAOYSA-N;133.15;-0.1;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP1_SP1";;;;;;;-0.79;;-3.13;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM426390;MM426390;C#CCC=CN(C=O)C=O;OGZSMKCUIVIPFA-UHFFFAOYSA-N;137.14;0.14;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_N0";;;;;;;0.06;;-2.21;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM426391;MM426391;CCC(C)C#CC1CC1C;ZEZXPSBDGAXLRG-UHFFFAOYSA-N;136.24;2.69;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1_SC5";;;;;;;3.68;;0.46;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM426392;MM426392;C#CC1=CC2(OC)CC1C2;SJDDUZDVWKFLMX-UHFFFAOYSA-N;134.18;1.35;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNa_SC5";;;;;;;1.64;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM426393;MM426393;C=Cn1cnc(NCC)c1;GGJHIHICPXSJSF-UHFFFAOYSA-N;137.19;1.42;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNda_SP1";;;;;;;0.04;;-2.73;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM426394;MM426394;C#CC(C#N)C1CC1CO;JSXJKFWUGWHMMJ-UHFFFAOYSA-N;135.17;0.39;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNda_N0";;;;;;;1.17;;-1.13;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM426395;MM426395;CNC1(COCC=O)CC1;PEQMWWPFUSMYEH-UHFFFAOYSA-N;143.19;-0.05;;;;;DOPC;MDCG;27;1;"MARTINI bead: SNd_P1";;;;;;;0.04;;-4.59;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM426396;MM426396;C#CCC=CN(C=O)N=C;OOWAYSRKAGMIFC-UHFFFAOYSA-N;136.15;0.6;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_C5";;;;;;;0.54;;-1.09;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM426397;MM426397;C#CC(C)C#CC1CC1C;XDTASDNNQQBTLH-UHFFFAOYSA-N;132.21;1.92;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4_SC5";;;;;;;2.97;;0.45;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM426398;MM426398;CCNc1cn(C=N)cn1;GTKUDPCIGXLBHE-UHFFFAOYSA-N;138.17;0.77;;;;;DOPC;MDCG;27;1;"MARTINI bead: SNda_SP2";;;;;;;-0.24;;-5.33;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM426399;MM426399;C#CC1=CC2(CN)CC1N2;DTXGNNWLSWVAPE-UHFFFAOYSA-N;134.18;-0.38;;;;;DOPC;MDCG;27;1;"MARTINI bead: SP2_SC5";;;;;;;0.54;;-3.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM426400;MM426400;C#CC(C=C)C1CC1CF;FIGAWLVXWJHXQT-UHFFFAOYSA-N;138.19;2.03;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC5_C5";;;;;;;2.41;;0.64;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM426401;MM426401;CNC1(COCC#N)CC1;YKIBPCCZWJPGIU-UHFFFAOYSA-N;140.19;0.28;;;;;DOPC;MDCG;27;1;"MARTINI bead: SNd_P1";;;;;;;0.04;;-4.69;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM426402;MM426402;C#CCN=CN(C=C)C=C;ZQUPRVUQSMFTDY-UHFFFAOYSA-N;134.18;1.24;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_N0";;;;;;;1.17;;-2.08;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM426403;MM426403;C=C(C#CC1CC1C)CC;CPYHOKYHYHRFPA-UHFFFAOYSA-N;134.22;2.61;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1_SC5";;;;;;;3.68;;0.46;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM426404;MM426404;CC=CC#CCOC=NN;ZWHJHCVWQNMORH-UHFFFAOYSA-N;138.17;0.48;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4_P1";;;;;;;1.37;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM426405;MM426405;C#CC1=CC2(CC)CC1O2;HGHNCWBKOIUOHZ-UHFFFAOYSA-N;134.18;1.5;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNa_SC5";;;;;;;1.64;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM426406;MM426406;C#CC(C=O)C1CC1CF;DISPZENHTNMMCO-UHFFFAOYSA-N;140.16;1.04;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC5_Na";;;;;;;1.64;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM426407;MM426407;CNC1(CONC=N)CC1;CIEUHWSYFNYHLK-UHFFFAOYSA-N;143.19;-0.13;;;;;DOPC;MDCG;27;1;"MARTINI bead: SNd_P3";;;;;;;-1.1;;-5.79;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM426408;MM426408;C#CCN=CN(C=N)C=O;LZBVCSZZXSVKCQ-UHFFFAOYSA-N;137.14;-0.29;;;;;DOPC;MDCG;27;0;"MARTINI bead: P4_N0";;;;;;;-0.88;;-3.74;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM426409;MM426409;C=C(C#CC1CC1C)CN;JWWZBGYHPNUPNQ-UHFFFAOYSA-N;135.21;1.16;;;;;DOPC;MDCG;27;1;"MARTINI bead: SC5_Nd";;;;;;;1.64;;-1.68;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM426410;MM426410;C=Nn1cnc(NCC)c1;ZDOPDABNJSKQFL-UHFFFAOYSA-N;138.17;0.78;;;;;DOPC;MDCG;27;1;"MARTINI bead: SNda_SP1";;;;;;;0.04;;-3.86;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM426411;MM426411;C#CC1=CC2(CN)CC1O2;YUMQYVWGSTZORF-UHFFFAOYSA-N;135.17;0.05;;;;;DOPC;MDCG;27;1;"MARTINI bead: SP1_SC5";;;;;;;0.81;;-2.55;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM426412;MM426412;C#CC(C=C)C1CC1NC;VZSVERQHTPECEP-UHFFFAOYSA-N;135.21;1.03;;;;;DOPC;MDCG;27;1;"MARTINI bead: SNd_C5";;;;;;;1.64;;-2.69;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM426413;MM426413;C=CCCCC1(OC)CC1;FMYKDKJUOASWMM-UHFFFAOYSA-N;140.23;2.52;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNa_C1";;;;;;;2.91;;0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM426414;MM426414;C#CCC=NN(C=C)C=O;WFKLQBIWMVNSKO-UHFFFAOYSA-N;136.15;0.6;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_C5";;;;;;;0.54;;-1.09;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM426415;MM426415;C=Cn1cc(CCC)nn1;VOELOOHPFZPTTI-UHFFFAOYSA-N;137.19;1.33;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNa_SP1";;;;;;;0.04;;-2.54;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM426416;MM426416;C=C(C#CC1CC1C)CO;CJEIOLVJKROBOO-UHFFFAOYSA-N;136.19;1.19;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC5_Nda";;;;;;;1.64;;0.05;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM426417;MM426417;C#CC1=CC2(CO)CC1O2;XFQNDAJGXAZICZ-UHFFFAOYSA-N;136.15;0.08;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP1_SC5";;;;;;;0.81;;-0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM426418;MM426418;C#CC(C#N)C1CC1NC;JELKSFKXNQPRBM-UHFFFAOYSA-N;134.18;0.37;;;;;DOPC;MDCG;27;1;"MARTINI bead: SNd_N0";;;;;;;1.17;;-2.8;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM426419;MM426419;COC1(CCCC#N)CC1;CGQLEDIZDJLLTC-UHFFFAOYSA-N;139.2;1.86;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNa_N0";;;;;;;1.17;;-1.18;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM426420;MM426420;C#CCC=NN(C=N)C=N;DULGJGIXTFYBPM-UHFFFAOYSA-N;136.16;0.51;;;;;DOPC;MDCG;27;0;"MARTINI bead: P3_C5";;;;;;;-0.33;;-2.01;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM426421;MM426421;C=C(C#CC1CC1C)CF;XMSRRFPUIGQWBU-UHFFFAOYSA-N;138.19;2.17;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC5_C4";;;;;;;2.97;;0.45;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM426422;MM426422;C=CC12C=C(CC)C(C1)C2;DQQGRDKGXSSXBO-UHFFFAOYSA-N;134.22;2.92;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC2_SC4";;;;;;;4.16;;0.44;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM426423;MM426423;C=Cn1cc(CCN)nn1;FGMHXBMCEQUMQC-UHFFFAOYSA-N;138.17;-0.12;;;;;DOPC;MDCG;27;1;"MARTINI bead: SP2_SP1";;;;;;;-1.06;;-5.85;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM426424;MM426424;COC1(CCNC=N)CC1;VMJPPGPEOQOXMH-UHFFFAOYSA-N;142.2;0.75;;;;;DOPC;MDCG;27;1;"MARTINI bead: SNa_P3";;;;;;;-1.1;;-8.15;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM426425;MM426425;C#CC(C=C)C1CC1OC;UIRSMWSRGYRSLI-UHFFFAOYSA-N;136.19;1.46;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNa_C5";;;;;;;1.64;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM426426;MM426426;C#CCC=NN(C=N)C=O;ZTSRHPLKXFROQV-UHFFFAOYSA-N;137.14;0.06;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_Nd";;;;;;;-0.24;;-3.16;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM426427;MM426427;CC1CC1C#CC(=N)NN;PAROVZSSKJHAPL-UHFFFAOYSA-N;137.19;0.09;;;;;DOPC;MDCG;27;1;"MARTINI bead: SC5_P2";;;;;;;0.54;;-2.67;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM426428;MM426428;NN=c1occ(C=CF)o1;GITYECBWAJOFBN-UHFFFAOYSA-N;144.11;0.59;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_SP2";;;;;;;0.54;;-1.09;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM426429;MM426429;C=CC12C=C(CN)C(C1)C2;CAWBADZRCRILPF-UHFFFAOYSA-N;135.21;1.47;;;;;DOPC;MDCG;27;1;"MARTINI bead: SNd_SC4";;;;;;;2.2;;-1.66;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM426430;MM426430;C#CC(C=O)C1CC1OC;KLSKJPCHCYIVAP-UHFFFAOYSA-N;138.17;0.47;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNa_Na";;;;;;;0.87;;-2.22;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM426431;MM426431;CCCc1cn(C=N)nn1;WMEUCIGFRJXVCQ-UHFFFAOYSA-N;138.17;0.69;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNa_SP2";;;;;;;-0.24;;-3.24;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM426432;MM426432;C#CCC=NN(C=O)C=O;YJUBYZRZJGAHFZ-UHFFFAOYSA-N;138.13;-0.39;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_P2";;;;;;;-0.24;;-3.24;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM426433;MM426433;C=C(F)C(F)C=NNC;BXGRRDYFTLTHLU-UHFFFAOYSA-N;134.13;1.01;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_C5";;;;;;;0.54;;-1.09;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM426434;MM426434;C=COCCC1(OC)CC1;LEYHZAUBKCNUAU-UHFFFAOYSA-N;142.2;1.72;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNa_Na";;;;;;;0.87;;-2.22;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM426435;MM426435;C=C(C#N)C#CC1CC1C;UHCMKXGCURYYIF-UHFFFAOYSA-N;131.18;1.73;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC5_N0";;;;;;;1.94;;0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM426436;MM426436;CCCc1cn(C=O)nn1;BNPBQGKCINLQDW-UHFFFAOYSA-N;139.16;0.27;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNa_SP2";;;;;;;-0.24;;-3.24;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM426437;MM426437;C=CN(C=O)NC(=N)C#N;WHYKZZYBMNRMDJ-UHFFFAOYSA-N;138.13;-0.41;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_P1";;;;;;;-1.06;;-3.82;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM426438;MM426438;C#CC(C=C)C=CCCC;RBOUKPNYQJUCMH-UHFFFAOYSA-N;134.22;2.78;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1_C5";;;;;;;3.68;;0.46;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM426439;MM426439;NN=Cc1coc(=NN)o1;GZLCNMKTUUFDBX-UHFFFAOYSA-N;142.12;-1.06;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_SP2";;;;;;;-1.06;;-3.82;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM426440;MM426440;NCCc1cn(C=O)nn1;JYMDRYRDYXAROF-UHFFFAOYSA-N;140.15;-1.18;;;;;DOPC;MDCG;27;1;"MARTINI bead: SP2_SP2";;;;;;;-1.34;;-6;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM426441;MM426441;C=CC12C=C(CF)C(C1)C2;FNICXLOIVOOQRZ-UHFFFAOYSA-N;138.19;2.48;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC5_SC4";;;;;;;2.97;;0.45;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM426442;MM426442;C#CC(=C)C#CC1CC1C;BIYKXIJZBLUHND-UHFFFAOYSA-N;130.19;1.84;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC5_C5";;;;;;;2.41;;0.64;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM426443;MM426443;C#CC(C=C)C1NC1CN;YYKOUOPEBHWUCL-UHFFFAOYSA-N;136.2;-0.28;;;;;DOPC;MDCG;27;1;"MARTINI bead: SP2_C5";;;;;;;0.54;;-3.02;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM426444;MM426444;C#CC(C=C)C=CCCN;CHDAJXROERGTTF-UHFFFAOYSA-N;135.21;1.33;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_C5";;;;;;;1.64;;-2.66;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM426445;MM426445;C=Nn1cc(CCC)nn1;DYXNKVQWLFFUSG-UHFFFAOYSA-N;138.17;0.69;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNa_SP1";;;;;;;0.04;;-2.54;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM426446;MM426446;C=CCOCC1(OC)CC1;YSAJFEJSXKTLMG-UHFFFAOYSA-N;142.2;1.37;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNa_Na";;;;;;;0.87;;-2.22;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM426447;MM426447;C#CC(=O)C#CC1CC1C;HXNBECMFCFQLRX-UHFFFAOYSA-N;132.16;0.85;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC5_Na";;;;;;;1.64;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM426448;MM426448;CCC1=CC2(C=O)CC1C2;FRRCCLDDFDEXSA-UHFFFAOYSA-N;136.19;1.93;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC2_SNa";;;;;;;2.83;;0.35;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM426449;MM426449;C#CC(C#C)NC(=N)C=O;NTXWFKADFZIWCP-UHFFFAOYSA-N;134.14;-0.61;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nd_P2";;;;;;;-0.24;;-3.16;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM426450;MM426450;C#CC(C=C)C=CCCF;RCFCJAUAKGOMTA-UHFFFAOYSA-N;138.19;2.34;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_C5";;;;;;;2.41;;0.64;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM426451;MM426451;COC1(COCC=O)CC1;MMQFGXVCCCHAPW-UHFFFAOYSA-N;144.17;0.38;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNa_P1";;;;;;;0.04;;-2.54;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM426452;MM426452;NN=COCC#CC=CF;UAXOKOHGGOEBMJ-UHFFFAOYSA-N;142.13;0.39;;;;;DOPC;MDCG;27;0;"MARTINI bead: P3_C3";;;;;;;0.6;;-0.8;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM426453;MM426453;CC(=CCC1CC1C)CN;LBFIJKBNDPHCCF-UHFFFAOYSA-N;139.24;1.94;;;;;DOPC;MDCG;27;1;"MARTINI bead: SC5_Nd";;;;;;;1.64;;-2.15;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM426454;MM426454;CCC1=CC2(C#N)CC1C2;SXEJDJWDLYULKW-UHFFFAOYSA-N;133.19;2.26;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC2_SN0";;;;;;;3.13;;0.3;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM426455;MM426455;C#CC(C=C)C1OC1CC;CDUKHPCALUETLQ-UHFFFAOYSA-N;136.19;1.6;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNa_C5";;;;;;;1.64;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM426456;MM426456;C#CC(C=O)C=CCCC;DORMYATWACWLCA-UHFFFAOYSA-N;136.19;1.79;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1_Na";;;;;;;2.91;;0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM426457;MM426457;COC1(COCC#N)CC1;YKZINMLANLOLRK-UHFFFAOYSA-N;141.17;0.71;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNa_P1";;;;;;;0.04;;-2.54;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM426458;MM426458;CC(=CCC1CC1C)CO;DGBLUVNCXPLXCZ-UHFFFAOYSA-N;140.23;1.97;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC5_Nda";;;;;;;1.64;;0.05;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM426459;MM426459;NN=CC#CCOC=NN;OSLCHWIHKKMUHM-UHFFFAOYSA-N;140.15;-1.15;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda_P1";;;;;;;0.04;;-2.73;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM426460;MM426460;CON(C)C(=N)C=NN;UEXDIEFRBVDCJO-UHFFFAOYSA-N;130.15;-0.6;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_P2";;;;;;;-1.06;;-3.82;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM426461;MM426461;C#CC(C#N)C=CCCC;MKPMXSILKXGXQO-UHFFFAOYSA-N;133.19;2.12;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1_N0";;;;;;;3.21;;0.46;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM426462;MM426462;C#CC(C=O)C1OC1CC;NWKXYPNBFHGTMO-UHFFFAOYSA-N;138.17;0.61;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNa_Na";;;;;;;0.87;;-2.22;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM426463;MM426463;CC(=CCC1CC1C)CF;MUOKIVIGOPMDCK-UHFFFAOYSA-N;142.22;2.95;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC5_C4";;;;;;;2.97;;0.45;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM426464;MM426464;COC1(CONC=N)CC1;BXVBWCIEMYGNDJ-UHFFFAOYSA-N;144.17;0.29;;;;;DOPC;MDCG;27;1;"MARTINI bead: SNa_P3";;;;;;;-1.1;;-5.96;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM426465;MM426465;CCNc1cn(C=O)nn1;AKACXGXWYVMBQU-UHFFFAOYSA-N;140.15;-0.25;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNda_SP2";;;;;;;-0.24;;-3.31;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM426466;MM426466;N#CC12C=C(CO)C(C1)C2;KVJZSAPGANPBBG-UHFFFAOYSA-N;135.17;0.84;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNda_SN0";;;;;;;1.17;;-1.13;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM426467;MM426467;C#CC(C#N)C1OC1CC;JUFGNHGBTMJXOQ-UHFFFAOYSA-N;135.17;0.94;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNa_N0";;;;;;;1.17;;-1.18;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM426468;MM426468;C#CC(C=O)C=CCCO;OXQJCJOBOWILJE-UHFFFAOYSA-N;138.17;0.37;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda_Na";;;;;;;0.87;;-1.99;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM426469;MM426469;COC1(CONC=O)CC1;AMGALZQDBXLEPC-UHFFFAOYSA-N;145.16;-0.16;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNa_P2";;;;;;;-0.24;;-3.24;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM426470;MM426470;COC(C)=CCC1CC1N;GOIJWCJHNMCGPG-UHFFFAOYSA-N;141.21;1.27;;;;;DOPC;MDCG;27;1;"MARTINI bead: C5_SNd";;;;;;;1.64;;-2.53;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM426471;MM426471;CC#CC#CCOC=NN;JLZWDFUHPBYJTO-UHFFFAOYSA-N;136.15;-0.07;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1_P3";;;;;;;0.94;;0.03;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM426472;MM426472;O=CC12C=C(CF)C(C1)C2;QTOMMHZRDZQOBS-UHFFFAOYSA-N;140.16;1.49;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC5_SNa";;;;;;;1.64;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM426473;MM426473;C#CC(C=C)C1OC1CN;LWVARXHRHFSVAM-UHFFFAOYSA-N;137.18;0.15;;;;;DOPC;MDCG;27;1;"MARTINI bead: SP2_C5";;;;;;;0.54;;-3.07;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM426474;MM426474;C#CC(C#N)C=CCCO;OAIMPWWRUCSPFC-UHFFFAOYSA-N;135.17;0.7;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_N0";;;;;;;0.34;;-1.53;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM426475;MM426475;C=CCCNC1(CC)CC1;WPAVBAGYXGJCBZ-UHFFFAOYSA-N;139.24;2.09;;;;;DOPC;MDCG;27;1;"MARTINI bead: SC3_Nd";;;;;;;2.57;;-1.74;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM426476;MM426476;C=Cn1ccc(CCC)n1;BJZMSRYBZXRQEU-UHFFFAOYSA-N;136.2;1.94;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC5_SNa";;;;;;;1.64;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM426477;MM426477;CC(=CCC1NC1C)CN;XYIPXQBIMTYHSU-UHFFFAOYSA-N;140.23;0.64;;;;;DOPC;MDCG;27;1;"MARTINI bead: SP1_Nd";;;;;;;0.04;;-4.89;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM426478;MM426478;N#CC12C=C(CF)C(C1)C2;RKVVLQAUVGREDM-UHFFFAOYSA-N;137.16;1.82;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC5_SN0";;;;;;;1.94;;0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM426479;MM426479;C#CC(C=O)C=CCCF;WRSZPKLPGWQLFX-UHFFFAOYSA-N;140.16;1.35;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_Na";;;;;;;1.64;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM426480;MM426480;CN=C(NN=C(C)C)OC;BORHHGLAXYRXPE-UHFFFAOYSA-N;143.19;0.6;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_N0";;;;;;;0.34;;-1.53;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM426481;MM426481;C=CCCNC1(CN)CC1;GLKGPENYMRXWGW-UHFFFAOYSA-N;140.23;0.64;;;;;DOPC;MDCG;27;1;"MARTINI bead: SNd_Nd";;;;;;;0.87;;-4.7;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM426482;MM426482;CCCc1ccn(C=N)n1;KCPNYHUHCALQAI-UHFFFAOYSA-N;137.19;1.29;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC5_SP1";;;;;;;0.81;;-0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM426483;MM426483;CCC(C)=CCN1CC1C;STUWZHBJZAXDHE-UHFFFAOYSA-N;139.24;2.05;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1_SNd";;;;;;;2.91;;0.66;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM426484;MM426484;C=CC12C=C(OC)C(C1)C2;JYZKMQOPGDXNTQ-UHFFFAOYSA-N;136.19;2.11;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC5_SC4";;;;;;;2.97;;0.45;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM426485;MM426485;C#CC1(C#N)COC(=N)N1;MLCAHPUTRGCSQF-UHFFFAOYSA-N;135.13;-0.56;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP2_SP2";;;;;;;-1.34;;-4.31;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM426486;MM426486;C=CCCOC1(CC)CC1;CKAPLWHQDVWFFX-UHFFFAOYSA-N;140.23;2.52;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNa_C3";;;;;;;2.57;;0.45;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM426487;MM426487;C#CC(C#N)C=CCCF;VIMSTLLGOQSDSG-UHFFFAOYSA-N;137.16;1.68;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_N0";;;;;;;1.94;;0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM426488;MM426488;C=CC(C)=CCC1CC1C;DTGUGOLLWDVWBW-UHFFFAOYSA-N;136.24;3.16;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC5_C3";;;;;;;3.34;;0.48;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM426489;MM426489;CCCc1ccn(C=O)n1;PUEKCZBNQMFDGZ-UHFFFAOYSA-N;138.17;0.87;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC5_SP1";;;;;;;0.81;;-0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM426490;MM426490;COC1=CC2(C=O)CC1C2;CXBIWIJUYFKURG-UHFFFAOYSA-N;138.17;1.13;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC5_SNa";;;;;;;1.64;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM426491;MM426491;C#CC(C=C)N1CC1CC;MBYDYTLBTUMXSM-UHFFFAOYSA-N;135.21;1.27;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP1_P1";;;;;;;-0.79;;-3.13;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM426492;MM426492;CCC1(OCCC=O)CC1;PRZVLAHJJSSOAX-UHFFFAOYSA-N;142.2;1.53;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC3_P2";;;;;;;1.46;;-0.15;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM426493;MM426493;C#CC(C#N)C=CCNC;QJJVFQDAJYCHTN-UHFFFAOYSA-N;134.18;0.53;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1_N0";;;;;;;0.34;;-3.86;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM426494;MM426494;CC(C=O)=CCC1CC1C;WCBMRHGYELWXRU-UHFFFAOYSA-N;138.21;2.18;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC5_Na";;;;;;;1.64;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM426495;MM426495;C=Nn1ccc(CCC)n1;AWKJMDXLDVDWAG-UHFFFAOYSA-N;137.19;1.3;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC5_SP1";;;;;;;0.81;;-0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM426496;MM426496;COC1=CC2(C#N)CC1C2;KQYUAHPSDRATTF-UHFFFAOYSA-N;135.17;1.45;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC5_SN0";;;;;;;1.94;;0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM426497;MM426497;CN=C(N)C(=O)CCC#N;ZRDQZWBTAROPEW-UHFFFAOYSA-N;139.16;-0.15;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_Na";;;;;;;-0.24;;-3.24;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM426498;MM426498;CCC1(OCCC#N)CC1;WFBCLWBNPWVSRJ-UHFFFAOYSA-N;139.2;1.86;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNa_P1";;;;;;;0.04;;-2.54;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM426499;MM426499;C#CC(C=C)C=CCOC;HUSCQXTZUBMDPF-UHFFFAOYSA-N;136.19;1.62;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_C4";;;;;;;2.2;;0.34;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM426500;MM426500;CC(C#N)=CCC1CC1C;YTXSMNPWMPPGNP-UHFFFAOYSA-N;135.21;2.5;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC5_N0";;;;;;;1.94;;0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM426501;MM426501;C=Cn1ncc(CCC)n1;NHZLYWWRJOVVKB-UHFFFAOYSA-N;137.19;1.33;;;;;DOPC;MDCG;27;0;"MARTINI bead: SN0_SNa";;;;;;;1.17;;-1.18;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM426502;MM426502;C=CC12C=C(CN)C(C1)N2;QFVHCMDWCMTWTE-UHFFFAOYSA-N;136.2;0.17;;;;;DOPC;MDCG;27;1;"MARTINI bead: SNd_SNd";;;;;;;0.87;;-4.02;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM426503;MM426503;CCC(=O)C(=N)NOC=O;ZPFWDYAIHXZGMP-UHFFFAOYSA-N;144.13;-0.38;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_P3";;;;;;;-0.33;;-2.01;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM426504;MM426504;C=CCCOC1(CN)CC1;NZNYRXXYZVEOPC-UHFFFAOYSA-N;141.21;1.07;;;;;DOPC;MDCG;27;1;"MARTINI bead: SNd_Na";;;;;;;0.87;;-4.01;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM426505;MM426505;C#CC(C=O)C=CCOC;FKUBVWNXGACZLC-UHFFFAOYSA-N;138.17;0.64;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_Na";;;;;;;0.87;;-2.22;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM426506;MM426506;CC(C#N)=CCN1CC1C;IRPRPLZAOAUFQU-UHFFFAOYSA-N;136.2;1.16;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNd_N0";;;;;;;1.17;;-1.04;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM426507;MM426507;CCCc1cnn(C=N)n1;RLPXJZCIEKPGLD-UHFFFAOYSA-N;138.17;0.69;;;;;DOPC;MDCG;27;0;"MARTINI bead: SN0_SP2";;;;;;;0.06;;-2.21;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM426508;MM426508;CCC1=CC2(C#N)CC1N2;BRIPKNHUICXOJA-UHFFFAOYSA-N;134.18;0.96;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC2_SP2";;;;;;;1.72;;0.27;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM426509;MM426509;C=CCCOC1(CO)CC1;QDLRETUPSMTHGB-UHFFFAOYSA-N;142.2;1.1;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP2_C3";;;;;;;1.46;;-0.15;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM426510;MM426510;C#CC(C)=CCC1CC1C;PALHBUOUVWRKLN-UHFFFAOYSA-N;134.22;2.61;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC5_C5";;;;;;;2.41;;0.64;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM426512;MM426512;C#CC(C#N)C=CCOC;CBKBRAOIZUXETP-UHFFFAOYSA-N;135.17;0.96;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_N0";;;;;;;1.17;;-1.18;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM426511;MM426511;CC=CC=NNC(=N)OC;MKSRLVMYUGNUSY-UHFFFAOYSA-N;141.17;0.72;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_C5";;;;;;;0.81;;-0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM426513;MM426513;CN(C=O)C(=N)C=NN;IUXPEJFSBDUNMZ-UHFFFAOYSA-N;128.14;-1;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_P2";;;;;;;-1.34;;-4.31;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM426514;MM426514;CCCc1cnn(C=O)n1;XUDRUKDHOHKUQL-UHFFFAOYSA-N;139.16;0.27;;;;;DOPC;MDCG;27;0;"MARTINI bead: SN0_SP2";;;;;;;0.06;;-2.21;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM426515;MM426515;O=CCCOC1(CO)CC1;SDLBVQMKTNRGBF-UHFFFAOYSA-N;144.17;0.12;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP2_Na";;;;;;;-0.24;;-3.24;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM426516;MM426516;C#CC=NNC=C(F)C#N;OQOCZZSSZINPJV-UHFFFAOYSA-N;137.12;0.53;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_P1";;;;;;;0.81;;-0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM426517;MM426517;C#CC(C=C)C=COCC;DCOKSRQDRHLEDU-UHFFFAOYSA-N;136.19;1.97;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_C4";;;;;;;2.2;;0.34;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM426518;MM426518;CNc1ccn(C(C)C)n1;RIDRUYJTWDWTFU-UHFFFAOYSA-N;139.2;1.51;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNd_SNa";;;;;;;0.87;;-1.88;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM426519;MM426519;N#CC12C=C(CF)C(C1)N2;FONFPMBURUYCCU-UHFFFAOYSA-N;138.15;0.52;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC5_SP2";;;;;;;0.54;;-1.09;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM426520;MM426520;C=Cn1cnc(CCC)n1;FHONXAOQOJLIJR-UHFFFAOYSA-N;137.19;1.33;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNa_SNa";;;;;;;0.87;;-2.22;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM426521;MM426521;C#CC(C=O)C=COCC;KMYDOVSXPBQVBB-UHFFFAOYSA-N;138.17;0.98;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_Na";;;;;;;1.64;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM426522;MM426522;N#CCCOC1(CO)CC1;FQWMZAAMJKFSQG-UHFFFAOYSA-N;141.17;0.44;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP2_P1";;;;;;;-1.06;;-3.82;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM426523;MM426523;CCn1nc(N)c(N)c1C;ZTDGDNQLMVLMTQ-UHFFFAOYSA-N;140.19;0.38;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNa_SP2";;;;;;;-0.24;;-3.24;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM426524;MM426524;C=CC12C=C(CC)C(C1)O2;ISJTVXKBFOASJX-UHFFFAOYSA-N;136.19;2.05;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC2_SNa";;;;;;;2.83;;0.35;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM426525;MM426525;CC(=N)N1CC=C(CN)C1;NAWHDVHTHBTGEC-UHFFFAOYSA-N;139.2;0.18;;;;;DOPC;MDCG;27;1;"MARTINI bead: SNd_SP2";;;;;;;-0.24;;-7.07;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM426526;MM426526;CCCc1ncn(C=N)n1;YGDSHALDZBPEBB-UHFFFAOYSA-N;138.17;0.69;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNa_SP2";;;;;;;-0.24;;-3.24;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM426527;MM426527;C=CCCOC1(CF)CC1;POGOQIQCEMODON-UHFFFAOYSA-N;144.19;2.08;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP1_C3";;;;;;;1.74;;0.29;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM426528;MM426528;C#CC(C=C)N1CC1CF;SXHXGLKNPFQOCA-UHFFFAOYSA-N;139.17;0.83;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP1_P1";;;;;;;-0.79;;-3.13;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM426529;MM426529;C#CC(C#N)C=COCC;UAYPQAOKHCUPKS-UHFFFAOYSA-N;135.17;1.31;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_N0";;;;;;;1.17;;-1.18;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM426530;MM426530;C=CC12C=C(CN)C(C1)O2;PBENXJGGUXGJSA-UHFFFAOYSA-N;137.18;0.6;;;;;DOPC;MDCG;27;1;"MARTINI bead: SNd_SNa";;;;;;;0.87;;-4.05;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM426531;MM426531;CC(=N)N1CC=C(CO)C1;RIYGDZAKMPPNPM-UHFFFAOYSA-N;140.19;0.22;;;;;DOPC;MDCG;27;1;"MARTINI bead: SNd_SP2";;;;;;;-0.24;;-7.05;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM426532;MM426532;CCCc1ncn(C=O)n1;JIDLDCBSBRZMDL-UHFFFAOYSA-N;139.16;0.27;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNa_SP2";;;;;;;-0.24;;-3.24;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM426533;MM426533;C#CC(C#C)C1CC1CC;HUASLLZICJDHSR-UHFFFAOYSA-N;132.21;1.92;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC3_N0";;;;;;;2.87;;0.37;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM426534;MM426534;N#CCCOC1(CF)CC1;CJCZRSVWDRXZDX-UHFFFAOYSA-N;143.16;1.42;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP1_P1";;;;;;;-0.79;;-3.13;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM426535;MM426535;C#CC(C=C)C=NNCC;WJGXHBJCPFZMMU-UHFFFAOYSA-N;136.2;1.02;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_C4";;;;;;;1.37;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM426536;MM426536;C=CC12C=C(CO)C(C1)O2;PXMNJDKMTMCVNB-UHFFFAOYSA-N;138.17;0.63;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNda_SNa";;;;;;;0.87;;-1.99;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM426537;MM426537;C=CC1=CCN(C(C)=N)C1;ZCAOPBUBXRCWCC-UHFFFAOYSA-N;136.2;1.41;;;;;DOPC;MDCG;27;1;"MARTINI bead: SNd_SP1";;;;;;;0.04;;-6.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM426538;MM426538;C=Nn1cnc(CCC)n1;QZGCWWWKBNNTOK-UHFFFAOYSA-N;138.17;0.69;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNa_SP2";;;;;;;-0.24;;-3.24;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM426539;MM426539;C=CC(C=O)C(C)=NNC;VPWNEKIUTOHYQI-UHFFFAOYSA-N;140.19;0.58;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nd_Na";;;;;;;0.87;;-1.88;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM426540;MM426540;C#CCC(O)C1C(C)C1C;XTYLTABURGTDGL-UHFFFAOYSA-N;138.21;1.27;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC5_Nda";;;;;;;1.64;;0.05;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM426541;MM426541;CCC1(OCOC=O)CC1;BJACKNGMWHITPN-UHFFFAOYSA-N;144.17;1.08;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNa_P1";;;;;;;0.04;;-2.54;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM426542;MM426542;CCC1=CC2(C=O)CC1O2;GYBIDWDDPHRHMB-UHFFFAOYSA-N;138.17;1.06;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC2_SP1";;;;;;;2;;0.29;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM426543;MM426543;CCCCC=COC=NN;KDNOXGSENBHWBB-UHFFFAOYSA-N;142.2;1.61;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1_P1";;;;;;;2.08;;0.48;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM426544;MM426544;CC(=N)N1CC=C(C=O)C1;VHVJWMKCSJQVRU-UHFFFAOYSA-N;138.17;0.42;;;;;DOPC;MDCG;27;1;"MARTINI bead: SNd_SP1";;;;;;;0.04;;-6.45;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM426545;MM426545;C#CC(C#C)C1CC1CF;NUYZOSDDWSGRAV-UHFFFAOYSA-N;136.17;1.47;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC5_N0";;;;;;;1.94;;0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM426546;MM426546;C#CCNC=NN=COC;KZEOCFBOYUGAKT-UHFFFAOYSA-N;139.16;-0.17;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_N0";;;;;;;0.34;;-1.53;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM426547;MM426547;C=COCOC1(CN)CC1;XSCHYRDTKDZPEB-UHFFFAOYSA-N;143.19;0.61;;;;;DOPC;MDCG;27;1;"MARTINI bead: SNd_P1";;;;;;;0.04;;-4.76;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM426548;MM426548;CCC1=CC2(C#N)CC1O2;NWEWDMWXWBPYSJ-UHFFFAOYSA-N;135.17;1.39;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC2_SP1";;;;;;;2;;0.29;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM426549;MM426549;CC(=N)N1CC=C(C#N)C1;ATIMAFVJIOWXJQ-UHFFFAOYSA-N;135.17;0.75;;;;;DOPC;MDCG;27;1;"MARTINI bead: SNd_SP1";;;;;;;0.04;;-6.29;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM426550;MM426550;C=Cn1nnc(CCC)n1;YVLXVAGOJLHEHW-UHFFFAOYSA-N;138.17;0.73;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNa_SP1";;;;;;;0.04;;-2.54;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM426551;MM426551;C#CC(C=C)C=NOCC;UBGQSHGUUXOYGS-UHFFFAOYSA-N;137.18;1.44;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_C4";;;;;;;1.37;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM426552;MM426552;C#CC(C#C)C1CC1NC;HYETUSVDTJTSFR-UHFFFAOYSA-N;133.19;0.48;;;;;DOPC;MDCG;27;1;"MARTINI bead: SNd_N0";;;;;;;1.17;;-3.74;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM426553;MM426553;NCC1(OCOC=O)CC1;NOZUHSOUVWEBMT-UHFFFAOYSA-N;145.16;-0.38;;;;;DOPC;MDCG;27;1;"MARTINI bead: SP2_P1";;;;;;;-1.06;;-5.94;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM426554;MM426554;C#CC1=CCN(C(C)=N)C1;SLVCNRXFQDIAFM-UHFFFAOYSA-N;134.18;0.86;;;;;DOPC;MDCG;27;1;"MARTINI bead: SNd_SP1";;;;;;;0.04;;-6.33;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM426555;MM426555;O=CC12C=C(CO)C(C1)O2;NREMCUOFNSEGCJ-UHFFFAOYSA-N;140.14;-0.35;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNda_SP1";;;;;;;0.04;;-2.73;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM426556;MM426556;CCCc1nnn(C=N)n1;PJSRJMBAOQZUHO-UHFFFAOYSA-N;139.16;0.08;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNa_SP2";;;;;;;-0.24;;-3.24;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM426557;MM426557;C#CC(C#C)C1CC1OC;ITUSQPLVYUOFNB-UHFFFAOYSA-N;134.18;0.9;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNa_N0";;;;;;;1.17;;-1.18;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM426558;MM426558;CCC(C#N)=NNC1CC1;AAILVIVTADESPY-UHFFFAOYSA-N;137.19;1.03;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_SP1";;;;;;;-0.79;;-3.13;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM426559;MM426559;C=COCOC1(CO)CC1;NVUGTWVEOCDHOY-UHFFFAOYSA-N;144.17;0.65;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNda_P1";;;;;;;0.04;;-2.73;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM426560;MM426560;N#CC12C=C(CO)C(C1)O2;HFJIDVSDQMDARP-UHFFFAOYSA-N;137.14;-0.03;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNda_SP1";;;;;;;0.04;;-2.73;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM426561;MM426561;CCC1CC=C(C(C)C)C1;CIQBVGOVZWKJQD-UHFFFAOYSA-N;138.25;3.39;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC2_SC1";;;;;;;4.87;;0.53;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM426562;MM426562;CCCc1nnn(C=O)n1;VTHMQBKHPFDOGJ-UHFFFAOYSA-N;140.15;-0.34;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNa_SP2";;;;;;;-0.24;;-3.24;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM426563;MM426563;C#CC(C#C)C1NC1CN;ARGDHEZFBOBCCC-UHFFFAOYSA-N;134.18;-0.83;;;;;DOPC;MDCG;27;1;"MARTINI bead: SP2_N0";;;;;;;0.06;;-4.15;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM426564;MM426564;C#CC(C#N)C=NOCC;HHPQIHDBTJCYLE-UHFFFAOYSA-N;136.15;0.78;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_N0";;;;;;;1.17;;-1.18;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM426565;MM426565;N#CC12C=C(CF)C(C1)O2;YHABKGTYEDKPQI-UHFFFAOYSA-N;139.13;0.95;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC5_SP1";;;;;;;0.81;;-0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM426566;MM426566;C=NOCOC1(CC)CC1;IPRXLFNRFDHXJS-UHFFFAOYSA-N;143.19;1.54;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNa_P1";;;;;;;0.04;;-2.54;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM426567;MM426567;CC(C)C1=CCC(CN)C1;BPTOUHLPOJASDN-UHFFFAOYSA-N;139.24;1.94;;;;;DOPC;MDCG;27;1;"MARTINI bead: SC1_SNd";;;;;;;2.91;;-0.55;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM426568;MM426568;C=CCC1=CC(C=C)C=C1;WFGRJKAREGZHFV-UHFFFAOYSA-N;132.21;2.86;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC4_SC4";;;;;;;3.53;;0.53;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM426569;MM426569;CCN1CCC(=O)C(C)=N1;ISNYFFANMRQWQF-UHFFFAOYSA-N;140.19;0.66;;;;;DOPC;MDCG;27;0;"MARTINI bead: SN0_SP1";;;;;;;0.34;;-1.53;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM426570;MM426570;C=CC12C=C(OC)C(C1)O2;GXDRWHVPAQIVEI-UHFFFAOYSA-N;138.17;1.24;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC5_SNa";;;;;;;1.64;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM426571;MM426571;C#CC(C=C)C=CCC=C;RAFPURBAHJPIBR-UHFFFAOYSA-N;132.21;2.55;;;;;DOPC;MDCG;27;0;"MARTINI bead: C3_C4";;;;;;;3.9;;0.47;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM426572;MM426572;C#CC1(C)CC(O)(CC)C1;HHLUXUWYUFEQAM-UHFFFAOYSA-N;138.21;1.56;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNda_SC4";;;;;;;2.2;;0.49;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM426573;MM426573;C=NOCOC1(CF)CC1;MVXXCXITEKWDGC-UHFFFAOYSA-N;147.15;1.09;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP1_P1";;;;;;;-0.79;;-3.13;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM426574;MM426574;C=CC1C=CC(CC#N)=C1;IVIXCRRMICPTDR-UHFFFAOYSA-N;131.18;2.2;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC4_SC5";;;;;;;2.97;;0.45;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM426575;MM426575;CCC1CC=C(C(C)N)C1;DNJQRMMKTAZFCB-UHFFFAOYSA-N;139.24;2.08;;;;;DOPC;MDCG;27;1;"MARTINI bead: SC2_SC5";;;;;;;3.6;;0.61;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM426576;MM426576;COC1=CC2(C=O)CC1O2;AAGITOQHDQTHBF-UHFFFAOYSA-N;140.14;0.26;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC5_SP1";;;;;;;0.81;;-0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM426577;MM426577;C#CC(C#C)C1OC1CC;YHJFBTFBUISQGK-UHFFFAOYSA-N;134.18;1.05;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNa_N0";;;;;;;1.17;;-1.18;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM426578;MM426578;C#CC(C=C)C=CCC=O;HFRISDBXRRTHBF-UHFFFAOYSA-N;134.18;1.57;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4_Na";;;;;;;2.2;;0.34;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM426579;MM426579;C=CCCOC1(OC)CC1;SQVGNBNQKHPJGS-UHFFFAOYSA-N;142.2;1.72;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNa_Na";;;;;;;0.87;;-2.22;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM426580;MM426580;C=CCC1=CC(C=O)C=C1;UJQUACXHKZHVCA-UHFFFAOYSA-N;134.18;1.87;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC4_SNa";;;;;;;2.2;;0.34;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM426581;MM426581;CC(N)C1=CCC(CN)C1;MKHAIRNFRTXPMY-UHFFFAOYSA-N;140.23;0.63;;;;;DOPC;MDCG;27;1;"MARTINI bead: SC5_SNd";;;;;;;1.64;;-2.85;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM426582;MM426582;C#CC(C#C)C1OC1CN;PYCUXRIUVFNWGT-UHFFFAOYSA-N;135.17;-0.4;;;;;DOPC;MDCG;27;1;"MARTINI bead: SP2_N0";;;;;;;0.06;;-4.2;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM426583;MM426583;C#CC(C=C)C=CCC#N;CGHIEDXOVXFGSB-UHFFFAOYSA-N;131.18;1.89;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4_P1";;;;;;;1.37;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM426584;MM426584;COC1=CC2(C#N)CC1O2;OTNGEUYASWTJRJ-UHFFFAOYSA-N;137.14;0.58;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC5_SP1";;;;;;;0.81;;-0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM426585;MM426585;COC1(OCCC#N)CC1;ZFIDAJHAFLAJER-UHFFFAOYSA-N;141.17;1.05;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP1_P1";;;;;;;-0.79;;-3.13;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM426586;MM426586;O=CCC1=CC(C=O)C=C1;ULNUCBQXBWEHMG-UHFFFAOYSA-N;136.15;0.89;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNa_SNa";;;;;;;0.87;;-2.22;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM426587;MM426587;CNC1CC=C(C(C)N)C1;OHKJRSOCDKTMHT-UHFFFAOYSA-N;140.23;0.64;;;;;DOPC;MDCG;27;1;"MARTINI bead: SNd_SC5";;;;;;;1.64;;-2.99;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM426588;MM426588;C#CC(C=O)C=CCC=C;MKEMMRJHSPFLRM-UHFFFAOYSA-N;134.18;1.57;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4_Na";;;;;;;2.2;;0.34;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM426589;MM426589;C#CC(C#C)C1CN1CC;FWPPLPRVNPNBTH-UHFFFAOYSA-N;133.19;0.57;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNd_N0";;;;;;;1.17;;-1.04;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM426590;MM426590;C=CC1=CC2(C=C)CC1C2;NXJWOCLTIIORQD-UHFFFAOYSA-N;132.21;2.69;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC3_SC4";;;;;;;3.9;;0.47;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM426591;MM426591;COC1(OCOC=O)CC1;KWAVEIVDHPIVNE-UHFFFAOYSA-N;146.14;0.27;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNa_P2";;;;;;;-0.24;;-3.24;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM426592;MM426592;N#CCC1=CC(C=O)C=C1;RCDXNMFZCXULLX-UHFFFAOYSA-N;133.15;1.21;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNa_SC5";;;;;;;1.64;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM426593;MM426593;COC1CC=C(C(C)C)C1;MFTHXWFOPALUOO-UHFFFAOYSA-N;140.23;2.38;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC5_SC1";;;;;;;3.68;;0.46;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM426594;MM426594;C#CC(C#N)C=CCC=C;FXDFYXDKBFTBNM-UHFFFAOYSA-N;131.18;1.89;;;;;DOPC;MDCG;27;0;"MARTINI bead: C3_N0";;;;;;;2.87;;0.37;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM426595;MM426595;C#CC(C#C)N1CC1CC;WXQHVZWRZUSAJO-UHFFFAOYSA-N;133.19;0.72;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP1_Nd";;;;;;;0.04;;-2.63;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM426596;MM426596;C=CCCCC1(CN)CN1;STDQZAQYIJYMHX-UHFFFAOYSA-N;140.23;0.64;;;;;DOPC;MDCG;27;1;"MARTINI bead: SP2_C1";;;;;;;1.8;;-0.89;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM426597;MM426597;C=CC12C=C(C=O)C(C1)C2;ITWBGFQHKLTUAR-UHFFFAOYSA-N;134.18;1.71;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC4_SNa";;;;;;;2.2;;0.34;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM426598;MM426598;C=CC1C=CC(NC=N)=C1;ILHRSNDPFOJWHF-UHFFFAOYSA-N;134.18;1.44;;;;;DOPC;MDCG;27;1;"MARTINI bead: SC4_SNd";;;;;;;2.2;;-2.73;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM426599;MM426599;CCN1CC=C(C(C)C)C1;POCADPUQSXJRMS-UHFFFAOYSA-N;139.24;1.9;;;;;DOPC;MDCG;27;1;"MARTINI bead: SNd_SN0";;;;;;;1.17;;-3.33;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM426600;MM426600;CC#Cc1nnc(N)n1N;AXECBXTUVYYVNK-UHFFFAOYSA-N;137.15;-1.05;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP1_SP2";;;;;;;-1.06;;-3.82;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM426601;MM426601;C#CC(C=O)C=CCC=O;PTKBPRBERSFFJW-UHFFFAOYSA-N;136.15;0.58;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_Na";;;;;;;0.87;;-2.22;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM426602;MM426602;C=CCCCC1(CF)CN1;SZNHXNVTAOSOIP-UHFFFAOYSA-N;143.21;1.65;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNda_C3";;;;;;;2.57;;0.48;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM426603;MM426603;C=CC12C=C(C#N)C(C1)C2;QLWXFIDWVBHXEK-UHFFFAOYSA-N;131.18;2.03;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC4_SN0";;;;;;;2.5;;0.44;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM426604;MM426604;C=COC1=CC(C=C)C=C1;HFYSHGAOGCSJKM-UHFFFAOYSA-N;134.18;2.4;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC4_SC4";;;;;;;3.53;;0.53;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM426605;MM426605;C=CC1CC=C(C(C)C)C1;CCBYMBJHGNJDOJ-UHFFFAOYSA-N;136.24;3.16;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC1_SC3";;;;;;;4.61;;0.31;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM426606;MM426606;C#CC(C#N)C=CCC=O;SIVBCRXGMDLIOI-UHFFFAOYSA-N;133.15;0.9;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_N0";;;;;;;1.17;;-1.18;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM426607;MM426607;CCC1(CCNC=N)CN1;PTWUTMWTLFSQAJ-UHFFFAOYSA-N;141.22;0.33;;;;;DOPC;MDCG;27;1;"MARTINI bead: SNd_P2";;;;;;;-0.24;;-7.53;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM426608;MM426608;C=CC1CC1C(CC)CC;UYYBIUBMEJHHDS-UHFFFAOYSA-N;138.25;3.24;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1_SC4";;;;;;;4.24;;0.42;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM426609;MM426609;C=CC1=CC2(C=O)CC1C2;WUBWLXBTBKYNSQ-UHFFFAOYSA-N;134.18;1.71;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC3_SNa";;;;;;;2.57;;0.45;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM426610;MM426610;C=COC1=CC(C=O)C=C1;SAKNHJSMWBBHOG-UHFFFAOYSA-N;136.15;1.42;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC4_SNa";;;;;;;2.2;;0.34;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM426611;MM426611;C#CC(C=C)C=CNC=O;CCKYKXCJKIBVGG-UHFFFAOYSA-N;135.17;0.68;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4_P3";;;;;;;0.23;;-1.03;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM426612;MM426612;C=NN1CC=C(C(C)C)C1;BMLBZAILXYUNJW-UHFFFAOYSA-N;138.21;1.5;;;;;DOPC;MDCG;27;0;"MARTINI bead: SN0_SP1";;;;;;;0.34;;-1.53;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM426613;MM426613;N=CNCCC1(CN)CN1;KLJGRSVDFJWCRR-UHFFFAOYSA-N;142.21;-1.13;;;;;DOPC;MDCG;27;1;"MARTINI bead: SP2_P2";;;;;;;-1.34;;-8.65;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM426614;MM426614;C=CC1CC1C(CC)CN;YRJAAJWIBMRGLK-UHFFFAOYSA-N;139.24;1.79;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_SC4";;;;;;;2.2;;-2.22;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM426615;MM426615;C=CC1=CC2(C#N)CC1C2;KTNMOHQJYAHXJT-UHFFFAOYSA-N;131.18;2.03;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC3_SN0";;;;;;;2.87;;0.37;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM426616;MM426616;C=COC1=CC(C#N)C=C1;JCYARPDTDHSXLG-UHFFFAOYSA-N;133.15;1.74;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC4_SN0";;;;;;;2.5;;0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM426617;MM426617;C#CC(C=O)C=CNC=N;FILQSALPVDQQCP-UHFFFAOYSA-N;136.15;0.15;;;;;DOPC;MDCG;27;1;"MARTINI bead: P2_Na";;;;;;;-0.24;;-7.08;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM426618;MM426618;CCC(CC)C1CC1C=O;VZBOEVOLUXUDDD-UHFFFAOYSA-N;140.23;2.26;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1_SNa";;;;;;;2.91;;0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM426619;MM426619;C#CC1CC=C(C(C)C)C1;GDEWDZJXSZSMPQ-UHFFFAOYSA-N;134.22;2.61;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC1_SC5";;;;;;;3.68;;0.46;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM426620;MM426620;N=CNCCC1(CO)CN1;NFIOZMLQXPFUNC-UHFFFAOYSA-N;143.19;-1.09;;;;;DOPC;MDCG;27;1;"MARTINI bead: SP2_P3";;;;;;;-2.2;;-9.12;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM426621;MM426621;O=CC1=CC2(C=O)CC1C2;IJNHAJBXLFTUOV-UHFFFAOYSA-N;136.15;0.72;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNa_SNa";;;;;;;0.87;;-2.22;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM426622;MM426622;C=CN=C1C=CC(C=C)N1;YEHOCYWIWAGOGE-UHFFFAOYSA-N;134.18;1.24;;;;;DOPC;MDCG;27;1;"MARTINI bead: SNd_SN0";;;;;;;1.17;;-3.47;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM426623;MM426623;C#CC(C=O)C=CNC=O;GKYFHGQATRUNMV-UHFFFAOYSA-N;137.14;-0.31;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_Na";;;;;;;-0.24;;-3.24;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM426624;MM426624;CCC(CC)C1CC1C#N;ZQNLRGBNIQFQJF-UHFFFAOYSA-N;137.23;2.58;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1_SN0";;;;;;;3.21;;0.46;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM426625;MM426625;C=C(C)C1=CCC(CC)C1;ZVAOXVUWUAQXCC-UHFFFAOYSA-N;136.24;3.31;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC2_SC1";;;;;;;4.87;;0.53;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM426626;MM426626;C=NNCCC1(CN)CN1;SRLGEHNHTWKJOY-UHFFFAOYSA-N;142.21;-1.12;;;;;DOPC;MDCG;27;1;"MARTINI bead: SP2_Nd";;;;;;;-0.24;;-5.15;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM426627;MM426627;N#CC1=CC2(C=O)CC1C2;FUECTHSRNMMPFW-UHFFFAOYSA-N;133.15;1.05;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNa_SN0";;;;;;;1.17;;-1.18;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM426628;MM426628;C=CN=C1C=CC(C=O)N1;ONQZFXWZLXWFCQ-UHFFFAOYSA-N;136.15;0.26;;;;;DOPC;MDCG;27;1;"MARTINI bead: SNd_SP2";;;;;;;-0.24;;-5.54;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM426629;MM426629;CN1C(=N)C(N)=CC1=O;YVEGBFOMMMQTTM-UHFFFAOYSA-N;125.13;-0.72;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP2_SP2";;;;;;;-1.34;;-4.31;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM426630;MM426630;C#CC(C=C)C=COC=C;BZBRDNMUOVLGLE-UHFFFAOYSA-N;134.18;2.1;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_C4";;;;;;;2.2;;0.34;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM426631;MM426631;C=C(C)C1=CCC(CN)C1;VRHAWEVQPQFXDX-UHFFFAOYSA-N;137.23;1.86;;;;;DOPC;MDCG;27;1;"MARTINI bead: SC1_SNd";;;;;;;2.91;;-0.55;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM426632;MM426632;C=COCCC1(CN)CN1;AVEXCCRDAFCYAV-UHFFFAOYSA-N;142.2;-0.16;;;;;DOPC;MDCG;27;1;"MARTINI bead: SP2_Na";;;;;;;-0.24;;-5.23;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM426633;MM426633;C=CCc1ccn(C=C)c1;PLERCMMFDNOWGT-UHFFFAOYSA-N;133.19;2.32;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC5_SN0";;;;;;;1.94;;0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM426634;MM426634;N#CC12C=C(C=O)C(C1)C2;JJJAIRKINZSRBH-UHFFFAOYSA-N;133.15;1.05;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNa_SN0";;;;;;;1.17;;-1.18;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM426635;MM426635;O=CC1CC1C(CO)CO;OWUQKCBHLCHBRX-UHFFFAOYSA-N;144.17;-0.58;;;;;DOPC;MDCG;27;0;"MARTINI bead: P3_SNa";;;;;;;-1.1;;-4.2;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM426636;MM426636;CCC=C1CCC(C)(O)C1;DTACMGZBTUOHOK-UHFFFAOYSA-N;140.23;2.26;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC1_SNda";;;;;;;2.91;;0.57;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM426637;MM426637;C#CC(C=C)C=COC=O;JGSZZDWLCRJQJM-UHFFFAOYSA-N;136.15;1.11;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4_P1";;;;;;;1.37;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM426638;MM426638;NCC1(CCOC=O)CN1;GZUHXSZBAXWBFU-UHFFFAOYSA-N;144.17;-1.15;;;;;DOPC;MDCG;27;1;"MARTINI bead: SP2_P1";;;;;;;-1.06;;-5.81;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM426639;MM426639;C=Cn1ccc(CC=O)c1;JVXGRIIBJZKGMY-UHFFFAOYSA-N;135.17;1.33;;;;;DOPC;MDCG;27;0;"MARTINI bead: SN0_SNa";;;;;;;1.17;;-1.18;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM426640;MM426640;N#CC1=CC2(C#N)CC1C2;YKBWHCMLIZLQIX-UHFFFAOYSA-N;130.15;1.37;;;;;DOPC;MDCG;27;0;"MARTINI bead: SN0_SN0";;;;;;;1.47;;-0.05;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM426641;MM426641;C=CC1CC1C(CC)NC;PCZLMDIUOABMJE-UHFFFAOYSA-N;139.24;1.81;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_SC4";;;;;;;2.2;;-2.81;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM426642;MM426642;C=C(C)C1=CCC(CF)C1;IHBKJYQSJMFUJQ-UHFFFAOYSA-N;140.2;2.87;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC1_SC5";;;;;;;3.68;;0.46;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM426643;MM426643;C#CC(C=O)C=COC=C;OOVOQVJSQQYTED-UHFFFAOYSA-N;136.15;1.11;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_Na";;;;;;;0.87;;-2.22;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM426644;MM426644;C=NOCCC1(CN)CN1;NSWZUIYIWFKIGF-UHFFFAOYSA-N;143.19;-0.69;;;;;DOPC;MDCG;27;1;"MARTINI bead: SP2_Na";;;;;;;-0.24;;-5.23;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM426645;MM426645;C=CC12C=C(C#N)C(C1)N2;NJTHQQNXGJIDQS-UHFFFAOYSA-N;132.17;0.74;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNd_SN0";;;;;;;1.17;;-1.04;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM426646;MM426646;C=Cn1ccc(CC#N)c1;GMNTWLTZNPHZQE-UHFFFAOYSA-N;132.17;1.65;;;;;DOPC;MDCG;27;0;"MARTINI bead: SN0_SN0";;;;;;;1.47;;-0.05;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM426647;MM426647;C=CC1CC1C(CF)NC;DQEIZGUEQJXBTL-UHFFFAOYSA-N;143.21;1.37;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1_SC4";;;;;;;1.37;;-1.68;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM426648;MM426648;C#CC(C#N)C=COC=C;HHTAKZODQCBPSZ-UHFFFAOYSA-N;133.15;1.43;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_N0";;;;;;;1.17;;-1.18;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM426649;MM426649;C=C(C)C1=CCC(NC)C1;KNZACZNPWULIOA-UHFFFAOYSA-N;137.23;1.87;;;;;DOPC;MDCG;27;1;"MARTINI bead: SNd_SC1";;;;;;;2.91;;-0.76;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM426650;MM426650;C=CCNCC1(CC)CN1;KONGDSCLOGNWDP-UHFFFAOYSA-N;140.23;0.51;;;;;DOPC;MDCG;27;1;"MARTINI bead: SNd_Nd";;;;;;;0.87;;-3.77;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM426651;MM426651;C=CCc1ccn(C=N)c1;IIUZPTSUKLEBKA-UHFFFAOYSA-N;134.18;1.67;;;;;DOPC;MDCG;27;1;"MARTINI bead: SC5_SNd";;;;;;;1.64;;-2.89;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM426652;MM426652;C=CC1=CC2(C#N)CC1N2;IWIVVBGYLCBVKI-UHFFFAOYSA-N;132.17;0.74;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC3_SP2";;;;;;;1.46;;-0.15;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM426653;MM426653;CCC(NC)C1CC1C#N;GNPGXZUVPICAHP-UHFFFAOYSA-N;138.21;1.14;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_SN0";;;;;;;1.17;;-3.44;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM426654;MM426654;C#CC(C=C)C=NNC=O;UNZGNUBQJSHTAS-UHFFFAOYSA-N;136.15;0.15;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_C5";;;;;;;0.54;;-1.09;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM426655;MM426655;C=CCNCC1(CN)CN1;ICDGQRPBVZNNGX-UHFFFAOYSA-N;141.22;-0.94;;;;;DOPC;MDCG;27;1;"MARTINI bead: SP2_Nd";;;;;;;-0.24;;-4.96;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM426656;MM426656;O=CC1=CC2(C=O)CC1N2;HHGYMUQQFAQBQG-UHFFFAOYSA-N;137.14;-0.58;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNa_SP2";;;;;;;-0.24;;-3.24;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM426657;MM426657;C=C(C)C1=CCC(OC)C1;HKYLGQABTWHYGI-UHFFFAOYSA-N;138.21;2.3;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC5_SC1";;;;;;;3.68;;0.46;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM426658;MM426658;N=Cn1ccc(CC=O)c1;YWYFTCUORLPHJY-UHFFFAOYSA-N;136.15;0.68;;;;;DOPC;MDCG;27;1;"MARTINI bead: SNd_SNa";;;;;;;0.87;;-4.84;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM426659;MM426659;C=CC1CC1C(CC)OC;OFNWGFLAHPXADW-UHFFFAOYSA-N;140.23;2.23;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_SC4";;;;;;;2.2;;0.34;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM426660;MM426660;C#CC(C=C)C=NOC=O;SZFDDRUXDLPTPJ-UHFFFAOYSA-N;137.14;0.58;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4_P2";;;;;;;1.09;;-0.38;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM426661;MM426661;N#CC1=CC2(C=O)CC1N2;RXHHFLDJOUCLDA-UHFFFAOYSA-N;134.14;-0.25;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP2_SN0";;;;;;;0.06;;-2.21;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM426662;MM426662;C=CCNCC1(CO)CN1;UMTKWMAIVBANGP-UHFFFAOYSA-N;142.2;-0.9;;;;;DOPC;MDCG;27;1;"MARTINI bead: SP2_P1";;;;;;;-1.06;;-4.96;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM426663;MM426663;C=C(C)C1=CCN(CC)C1;AXSFCMOXEZVJIV-UHFFFAOYSA-N;137.23;1.82;;;;;DOPC;MDCG;27;1;"MARTINI bead: SNd_SN0";;;;;;;1.17;;-3.24;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM426664;MM426664;N#CCc1ccn(C=N)c1;LMFMEMLXWXRDJB-UHFFFAOYSA-N;133.15;1.01;;;;;DOPC;MDCG;27;1;"MARTINI bead: SNd_SN0";;;;;;;1.17;;-3.93;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM426665;MM426665;COC(OC)C1CC1C=O;QZENMUXEETZUSK-UHFFFAOYSA-N;144.17;0.44;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_SNa";;;;;;;0.04;;-2.54;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM426666;MM426666;C#CC(C#N)C=NOC=O;OEOVOAXXVXBMGB-UHFFFAOYSA-N;136.11;-0.08;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_N0";;;;;;;0.34;;-1.53;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM426667;MM426667;N#CC12C=C(C=O)C(C1)N2;KYKGOEXDIRXQGC-UHFFFAOYSA-N;134.14;-0.25;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNa_SP2";;;;;;;-0.24;;-3.24;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM426668;MM426668;C=CCc1ccn(C=O)c1;NHQJUQZTQIPRSA-UHFFFAOYSA-N;135.17;1.25;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC5_SNa";;;;;;;1.64;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM426669;MM426669;CC#Cc1coc(=NN)o1;FEZKGLCPLGGTKV-UHFFFAOYSA-N;138.13;0.02;;;;;DOPC;MDCG;27;0;"MARTINI bead: N0_SP2";;;;;;;0.06;;-2.21;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM426670;MM426670;C=CC1CC=C(C(=C)C)C1;PIYCNXGQOZBJJR-UHFFFAOYSA-N;134.22;3.08;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC1_SC3";;;;;;;4.61;;0.31;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM426671;MM426671;C=CC1NC1C(CC)CN;UHNUKWXQQVEMNH-UHFFFAOYSA-N;140.23;0.5;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_SP1";;;;;;;0.04;;-5.09;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM426672;MM426672;C#CCC=CC(C#C)C=C;OPUBYTMUUBDOLD-UHFFFAOYSA-N;130.19;2;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4_C5";;;;;;;2.97;;0.45;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM426673;MM426673;N#CC1=CC2(C#N)CC1N2;IOMSKAVHCNFBOE-UHFFFAOYSA-N;131.14;0.07;;;;;DOPC;MDCG;27;0;"MARTINI bead: SN0_SP2";;;;;;;0.06;;-2.21;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM426674;MM426674;O=CCc1ccn(C=O)c1;DERPVFKGBSDMQG-UHFFFAOYSA-N;137.14;0.27;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNa_SNa";;;;;;;0.87;;-2.22;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM426675;MM426675;C=CCNCC1(CF)CN1;ZAXHIFKCGNALSN-UHFFFAOYSA-N;144.19;0.07;;;;;DOPC;MDCG;27;1;"MARTINI bead: SP1_Nd";;;;;;;0.04;;-3.91;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM426676;MM426676;C=C(C)C1=CCC(C=O)C1;AWCVNOQFHJKXBH-UHFFFAOYSA-N;136.19;2.1;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC1_SNa";;;;;;;2.91;;0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM426677;MM426677;C#CCC=CC(C#C)C#N;ZURDPINEHIZHRG-UHFFFAOYSA-N;129.16;1.34;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_N0";;;;;;;1.94;;0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM426678;MM426678;C=CC1=CC2(C=C)CC1O2;HHPRNAYADQIVHJ-UHFFFAOYSA-N;134.18;1.83;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC3_SNa";;;;;;;2.57;;0.45;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM426679;MM426679;C=CC1NC1C(CN)CN;MFSQXEFYGOCPOK-UHFFFAOYSA-N;141.22;-0.95;;;;;DOPC;MDCG;27;1;"MARTINI bead: P3_SP1";;;;;;;-1.93;;-7.1;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM426680;MM426680;N#CCc1ccn(C=O)c1;RNBZYXHAIKRTLJ-UHFFFAOYSA-N;134.14;0.59;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNa_SN0";;;;;;;1.17;;-1.18;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM426681;MM426681;N#CCNCC1(CF)CN1;RNSRWNOKJWOEHH-UHFFFAOYSA-N;143.17;-0.59;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP1_P2";;;;;;;-1.06;;-3.82;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM426682;MM426682;C=C(C)C1=CCC(C#N)C1;TYZYVXYJTOZAIR-UHFFFAOYSA-N;133.19;2.42;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC1_SN0";;;;;;;3.21;;0.46;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM426683;MM426683;C=CC12C=C(C=O)C(C1)O2;RBMCOUPEBXXFSG-UHFFFAOYSA-N;136.15;0.84;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNa_SNa";;;;;;;0.87;;-2.22;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM426684;MM426684;C#CC(C#C)C=CCCC;QTCHCONVCDHNRZ-UHFFFAOYSA-N;132.21;2.23;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1_N0";;;;;;;3.21;;0.46;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM426685;MM426685;Nc1oc(=O)n(N)c1F;INHHZFXAOAUUSN-UHFFFAOYSA-N;133.08;-1.12;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP1_SP2";;;;;;;-1.06;;-3.82;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM426686;MM426686;C=CCc1ccn(N=C)c1;ZGBOOLXLABWEAO-UHFFFAOYSA-N;134.18;1.68;;;;;DOPC;MDCG;27;1;"MARTINI bead: SC5_SN0";;;;;;;1.94;;-0.19;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM426687;MM426687;CCC1(CNNC=N)CN1;NQKMHTWTTQWPNG-UHFFFAOYSA-N;142.21;-0.56;;;;;DOPC;MDCG;27;1;"MARTINI bead: SNd_P4";;;;;;;-1.19;;-7.67;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM426688;MM426688;C=CC12C=C(C#N)C(C1)O2;QFZHWTZVMDLZSH-UHFFFAOYSA-N;133.15;1.16;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNa_SN0";;;;;;;1.17;;-1.18;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM426689;MM426689;C=C(C)C1=CCN(C=N)C1;VIYGHPGJFFOPOE-UHFFFAOYSA-N;136.2;1.41;;;;;DOPC;MDCG;27;1;"MARTINI bead: SN0_SP1";;;;;;;0.34;;-4.68;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM426690;MM426690;Cc1c(N)c(N)nn1C;XDAHPIIGQGPNAS-UHFFFAOYSA-N;126.16;-0.11;;;;;DOPC;MDCG;27;0;"MARTINI bead: SN0_SP2";;;;;;;0.06;;-2.21;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM426691;MM426691;C#CC(C#C)C=CCCN;IPOVDXOVJHBFKX-UHFFFAOYSA-N;133.19;0.77;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_N0";;;;;;;1.17;;-3.8;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM426692;MM426692;C=Nn1ccc(CC=O)c1;OTVFJRPVODOXAR-UHFFFAOYSA-N;136.15;0.69;;;;;DOPC;MDCG;27;1;"MARTINI bead: SN0_SNa";;;;;;;1.17;;-2.55;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM426693;MM426693;N=CNNCC1(CN)CN1;WDKCQHUOILRZSV-UHFFFAOYSA-N;143.19;-2.01;;;;;DOPC;MDCG;27;1;"MARTINI bead: SP2_P4";;;;;;;-2.29;;-8.74;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM426694;MM426694;C=C(C)C1=CCN(C=O)C1;AZFBIBWUKVWAHK-UHFFFAOYSA-N;137.18;0.96;;;;;DOPC;MDCG;27;0;"MARTINI bead: SN0_SP1";;;;;;;0.34;;-1.53;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM426695;MM426695;C=CC1=CC2(C=O)CC1O2;DQRYZNHBVRXPIX-UHFFFAOYSA-N;136.15;0.84;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC3_SP1";;;;;;;1.74;;0.29;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM426696;MM426696;CCC(CC)C1NC1C#N;YOUAFXHCKHSZHO-UHFFFAOYSA-N;138.21;1.29;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1_SP2";;;;;;;1.8;;0.4;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM426697;MM426697;C#CC(C#C)C=CCCO;MSVNWZNEJSOSAS-UHFFFAOYSA-N;134.18;0.81;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda_N0";;;;;;;1.17;;-1.13;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM426698;MM426698;C=Nn1ccc(CC#N)c1;IXGQGTKAAMSZSQ-UHFFFAOYSA-N;133.15;1.02;;;;;DOPC;MDCG;27;1;"MARTINI bead: SN0_SN0";;;;;;;1.47;;-1.33;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM426699;MM426699;C=NN1CC=C(C(=C)C)C1;DRRHAHYFJDWDKR-UHFFFAOYSA-N;136.2;1.42;;;;;DOPC;MDCG;27;0;"MARTINI bead: SN0_SP1";;;;;;;0.34;;-1.53;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM426700;MM426700;NCC1(CNNC=O)CN1;RPILHELOVINYGC-UHFFFAOYSA-N;144.18;-2.46;;;;;DOPC;MDCG;27;1;"MARTINI bead: SP2_P4";;;;;;;-2.29;;-7.29;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM426701;MM426701;C=CC1=CC2(C#N)CC1O2;QFXXOJWMUFLJIF-UHFFFAOYSA-N;133.15;1.16;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC3_SP1";;;;;;;1.74;;0.29;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM426702;MM426702;CCc1nc(C)c(N)o1;VDMCXQPTLWBNHS-UHFFFAOYSA-N;126.16;1.13;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNa_SNd";;;;;;;0.87;;-1.88;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM426703;MM426703;C#CC(C#C)C=CCCF;XOOSURUCALPGKX-UHFFFAOYSA-N;136.17;1.78;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_N0";;;;;;;1.94;;0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM426704;MM426704;C=CCOCC1(CN)CN1;NAEFZAMKWGITEH-UHFFFAOYSA-N;142.2;-0.51;;;;;DOPC;MDCG;27;1;"MARTINI bead: SP2_Na";;;;;;;-0.24;;-5.16;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM426705;MM426705;C#CC1CC=C(C(=C)C)C1;MHRHDUQBIYGOMK-UHFFFAOYSA-N;132.21;2.53;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC1_SC5";;;;;;;3.68;;0.46;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM426706;MM426706;C=Cn1ccc(NC=N)c1;FQKSSKJUBWVRIB-UHFFFAOYSA-N;135.17;1.61;;;;;DOPC;MDCG;27;1;"MARTINI bead: SN0_SP1";;;;;;;0.34;;-2.69;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM426707;MM426707;C=CC1NC1C(CC)NC;BADWIVOWRNJWHK-UHFFFAOYSA-N;140.23;0.51;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_SP1";;;;;;;0.04;;-4.99;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM426708;MM426708;O=CC1=CC2(C=O)CC1O2;MSZNCOVNYWVWFW-UHFFFAOYSA-N;138.12;-0.15;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNa_SP1";;;;;;;0.04;;-2.54;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM426709;MM426709;C#CC(C#C)C=CCNC;ZHCKTCZAHCRVIC-UHFFFAOYSA-N;133.19;0.64;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_N0";;;;;;;1.17;;-3.37;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM426710;MM426710;CC=C1CC=C(C(C)C)C1;AFVIUKYBPOBURP-UHFFFAOYSA-N;136.24;3.31;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC3_SC1";;;;;;;4.61;;0.31;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM426711;MM426711;N=CNc1ccn(C=N)c1;KIVKHLNCEFMLBM-UHFFFAOYSA-N;136.16;0.96;;;;;DOPC;MDCG;27;1;"MARTINI bead: SP1_SNd";;;;;;;0.04;;-7.01;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM426712;MM426712;CN=c1oc(NC)nn1N;WSZDIOWIKDZHMX-UHFFFAOYSA-N;143.15;-1.24;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP1_SP2";;;;;;;-1.06;;-3.82;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM426713;MM426713;CCC(NC)C1NC1C#N;NLYYJCPDOJTOPQ-UHFFFAOYSA-N;139.2;-0.15;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_SP2";;;;;;;-0.24;;-4.5;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM426714;MM426714;N#CC1=CC2(C=O)CC1O2;MLXYSKWDGNNSFK-UHFFFAOYSA-N;135.12;0.18;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP1_SN0";;;;;;;0.34;;-1.53;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM426715;MM426715;C#CC(C#C)C=CCOC;LWTYWZHKPRXEMP-UHFFFAOYSA-N;134.18;1.07;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_N0";;;;;;;1.17;;-1.18;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM426716;MM426716;CC=C1CC=C(C(C)N)C1;PYDFHEWUFARSQC-UHFFFAOYSA-N;137.23;2;;;;;DOPC;MDCG;27;1;"MARTINI bead: SC3_SC5";;;;;;;3.34;;0.5;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM426717;MM426717;CCc1oc(=NN)oc1C;GGENSSYWLYKCDN-UHFFFAOYSA-N;142.16;0.52;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_SP1";;;;;;;0.81;;-0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM426718;MM426718;C=CC1NC1C(CC)OC;OJUQTRBONRDFSE-UHFFFAOYSA-N;141.21;0.94;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_SP1";;;;;;;0.04;;-2.54;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM426719;MM426719;N=Cn1ccc(NC=O)c1;QAIZGIXHYUYQEK-UHFFFAOYSA-N;137.14;0.51;;;;;DOPC;MDCG;27;1;"MARTINI bead: SNd_SNda";;;;;;;0.87;;-4.4;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM426720;MM426720;N#CC12C=C(C=O)C(C1)O2;KMQKALUPWPPNFY-UHFFFAOYSA-N;135.12;0.18;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNa_SP1";;;;;;;0.04;;-2.54;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM426721;MM426721;C#CC(C#C)C=COCC;OCZMUTSFKVWPPF-UHFFFAOYSA-N;134.18;1.42;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_N0";;;;;;;1.94;;0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM426722;MM426722;Cc1oc(=NN)oc1CF;HNZMRZLSPIWVDN-UHFFFAOYSA-N;146.12;0.42;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP1_Na";;;;;;;0.04;;-2.54;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM426723;MM426723;C=CC1NC1C(CN)OC;FIVKXEMESKNDTE-UHFFFAOYSA-N;142.2;-0.51;;;;;DOPC;MDCG;27;1;"MARTINI bead: P2_SP1";;;;;;;-1.06;;-5.55;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM426724;MM426724;CC(C)C1=CCC(=NN)C1;KWBNJLGGUOTRIM-UHFFFAOYSA-N;138.21;1.68;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC1_SNd";;;;;;;2.91;;0.63;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM426725;MM426725;O=CNc1ccn(C=O)c1;IZZLYQXYOPFOQM-UHFFFAOYSA-N;138.13;0.09;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNda_SNa";;;;;;;0.87;;-1.99;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM426726;MM426726;N#CC1=CC2(C#N)CC1O2;YQNDGTLVQQZLLJ-UHFFFAOYSA-N;132.12;0.5;;;;;DOPC;MDCG;27;0;"MARTINI bead: SN0_SP1";;;;;;;0.34;;-1.53;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM426727;MM426727;C#CC(C#C)C=NNCC;KHPWGBUSYGRPGP-UHFFFAOYSA-N;134.18;0.46;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_C5";;;;;;;0.81;;-0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM426728;MM426728;N#CCOCC1(CF)CN1;BYUDUQXAURFEGT-UHFFFAOYSA-N;144.15;-0.16;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP1_P1";;;;;;;-0.79;;-3.13;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM426729;MM426729;C=Nn1ccc(NC=N)c1;IUFAKHJVYGFWMY-UHFFFAOYSA-N;136.16;0.97;;;;;DOPC;MDCG;27;1;"MARTINI bead: SN0_SP1";;;;;;;0.34;;-3.49;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM426730;MM426730;CC(C)C1=CN=C(NN)C1;XXXRZFXIGKZYSE-UHFFFAOYSA-N;139.2;0.79;;;;;DOPC;MDCG;27;1;"MARTINI bead: SC4_SP1";;;;;;;1.37;;-1.85;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM426731;MM426731;C=CC1NC1C(CF)OC;QZHDVXNQYDAYMA-UHFFFAOYSA-N;145.18;0.5;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_SP1";;;;;;;0.04;;-2.54;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM426732;MM426732;C#CC1=CC2(C=C)CC1C2;ZZXBTBDJPOIMOS-UHFFFAOYSA-N;130.19;2.14;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC4_SC5";;;;;;;2.97;;0.45;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM426733;MM426733;C#CC(C#C)C=NOCC;VGCUDHWFQRYDCN-UHFFFAOYSA-N;135.17;0.89;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_C5";;;;;;;0.81;;-0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM426734;MM426734;CCC1(CONC=N)CN1;LZEUQAWKNHJZQC-UHFFFAOYSA-N;143.19;-0.13;;;;;DOPC;MDCG;27;1;"MARTINI bead: SNd_P4";;;;;;;-1.19;;-6.63;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM426735;MM426735;C=COc1ccn(C=C)c1;MSJZQIMZLGCPLK-UHFFFAOYSA-N;135.17;2.11;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNa_SN0";;;;;;;1.17;;-1.18;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM426736;MM426736;CC(C)C1=COC(=NO)C1;QCYPZKKYIUWKKJ-UHFFFAOYSA-N;141.17;1.73;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC5_SNda";;;;;;;1.64;;0.05;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM426737;MM426737;C=CC1OC1C(CC)CC;GEIZITHSRHNUAB-UHFFFAOYSA-N;140.23;2.38;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1_SNa";;;;;;;2.91;;0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM426738;MM426738;C#CC1=CC2(C=O)CC1C2;SYYXNYUIRVJXBN-UHFFFAOYSA-N;132.16;1.15;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNa_SC5";;;;;;;1.64;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM426739;MM426739;C#CC(C#C)C=CCC=C;NGAVUCKPLUIVIM-UHFFFAOYSA-N;130.19;2;;;;;DOPC;MDCG;27;0;"MARTINI bead: C2_N0";;;;;;;3.13;;0.3;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM426740;MM426740;N=CNOCC1(CN)CN1;FZRHUOYNSQBUMI-UHFFFAOYSA-N;144.18;-1.58;;;;;DOPC;MDCG;27;1;"MARTINI bead: SP2_P3";;;;;;;-2.2;;-7.18;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM426741;MM426741;C=COc1ccn(C=N)c1;OUCAHXLHMALTCW-UHFFFAOYSA-N;136.15;1.47;;;;;DOPC;MDCG;27;1;"MARTINI bead: SNa_SNd";;;;;;;0.87;;-4.24;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM426742;MM426742;C=CC1OC1C(CO)CO;NAFHYDSRPXIBLW-UHFFFAOYSA-N;144.17;-0.46;;;;;DOPC;MDCG;27;0;"MARTINI bead: P3_SNa";;;;;;;-1.1;;-4.2;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM426743;MM426743;CN=C1CC=C(C(C)C)N1;HVBXGUPPVPDEGO-UHFFFAOYSA-N;138.21;1.55;;;;;DOPC;MDCG;27;1;"MARTINI bead: SNd_SC5";;;;;;;1.64;;-3.09;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM426744;MM426744;C#CC1=CC2(C#N)CC1C2;FTIVEQADVCLKKW-UHFFFAOYSA-N;129.16;1.48;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC5_SN0";;;;;;;1.94;;0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM426745;MM426745;C#CC(C#C)C=CCC=O;MOJGXWNMZWBDOM-UHFFFAOYSA-N;132.16;1.01;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_C5";;;;;;;1.64;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM426746;MM426746;NCC1(CONC=O)CN1;ODKWINCPIAQJML-UHFFFAOYSA-N;145.16;-2.04;;;;;DOPC;MDCG;27;1;"MARTINI bead: SP2_P2";;;;;;;-1.34;;-5.77;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM426747;MM426747;C=COc1ccn(C=O)c1;YHIQLTAFUNNRTN-UHFFFAOYSA-N;137.14;1.05;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNa_SNa";;;;;;;0.87;;-2.22;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM426748;MM426748;C#CC1=CC2(C=O)CC1N2;SIBZEANYGJEEOH-UHFFFAOYSA-N;133.15;-0.14;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP2_SC5";;;;;;;0.54;;-1.09;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM426749;MM426749;CCC(CC)C1OC1C=O;NMNMGICLWKLRID-UHFFFAOYSA-N;142.2;1.39;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1_SP2";;;;;;;1.8;;0.4;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM426750;MM426750;C#CC(C#C)C=CCC#N;QYRHROZRNFTDEC-UHFFFAOYSA-N;129.16;1.34;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_P1";;;;;;;0.81;;-0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM426751;MM426751;CN=c1[nH]cc(C(C)C)[nH]1;UBTCNHGWVFIJMQ-UHFFFAOYSA-N;139.2;1;;;;;DOPC;MDCG;27;1;"MARTINI bead: SP1_SNd";;;;;;;0.04;;-6.67;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM426752;MM426752;NN=c1oc(N)c(CF)o1;DSPMLDIAEXHQDF-UHFFFAOYSA-N;147.11;-0.3;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP2_Na";;;;;;;-0.24;;-3.24;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM426753;MM426753;C=COc1ccn(N=C)c1;FJBMVEAZRIDQFF-UHFFFAOYSA-N;136.15;1.47;;;;;DOPC;MDCG;27;1;"MARTINI bead: SNa_SN0";;;;;;;1.17;;-2.66;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM426754;MM426754;C#CC1=CC2(C#N)CC1N2;OAFGSFFYKBCTMX-UHFFFAOYSA-N;130.15;0.18;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC5_SP2";;;;;;;0.54;;-1.09;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM426755;MM426755;CCC(CC)C1OC1C#N;DWBXBRPBJKWDKQ-UHFFFAOYSA-N;139.2;1.71;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1_SP1";;;;;;;2.08;;0.48;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM426756;MM426756;CC=C1CN=C(C(C)C)N1;HIRCUICLJCGSCO-UHFFFAOYSA-N;138.21;1.55;;;;;DOPC;MDCG;27;1;"MARTINI bead: SNd_SN0";;;;;;;1.17;;-3.29;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM426757;MM426757;C#CC(C#C)C=CNC=O;GPYJJQGSEYHVAO-UHFFFAOYSA-N;133.15;0.13;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_N0";;;;;;;0.06;;-2.21;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM426758;MM426758;C=CCCCC1(CC)CO1;GCZBPHDADVYVOQ-UHFFFAOYSA-N;140.23;2.52;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNa_C1";;;;;;;2.91;;0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM426759;MM426759;C=CCc1cnn(C=C)c1;XHUYMDKHCQYISD-UHFFFAOYSA-N;134.18;1.71;;;;;DOPC;MDCG;27;0;"MARTINI bead: SN0_SNa";;;;;;;1.17;;-1.18;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM426760;MM426760;O=CC1OC1C(CO)CO;XDUCSPNGSFXWMC-UHFFFAOYSA-N;146.14;-1.45;;;;;DOPC;MDCG;27;0;"MARTINI bead: P3_SP2";;;;;;;-2.2;;-5.19;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM426761;MM426761;C#CC1=CC2(C=C)CC1O2;VYKIPWHORIWQIU-UHFFFAOYSA-N;132.16;1.27;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNa_SC5";;;;;;;1.64;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM426762;MM426762;CC=C1CC=C(C(C)N)O1;VFJWVGXQZPGXLG-UHFFFAOYSA-N;139.2;1.54;;;;;DOPC;MDCG;27;1;"MARTINI bead: SC5_SP1";;;;;;;0.81;;-2.17;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM426763;MM426763;C#CC(C#C)C=COC=C;VQZVQLWLSKGLCD-UHFFFAOYSA-N;132.16;1.54;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_C5";;;;;;;1.64;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM426764;MM426764;CCC1(CCCC=O)CO1;FFPAURVLKDXBCG-UHFFFAOYSA-N;142.2;1.53;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNa_C5";;;;;;;1.64;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM426765;MM426765;COCCC=COC=NN;CDGJZOJMZRJKFC-UHFFFAOYSA-N;144.17;0.46;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_Nda";;;;;;;0.87;;-1.99;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM426766;MM426766;C#CC(C#C)C=COC=O;GACZUNQBZCQMAD-UHFFFAOYSA-N;134.13;0.56;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_C5";;;;;;;0.81;;-0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM426767;MM426767;C=CC1OC1C(CC)NC;DQXRFXHBXCNIFO-UHFFFAOYSA-N;141.21;0.94;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_SNa";;;;;;;0.87;;-4.36;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM426768;MM426768;C#CC1=CC2(C=O)CC1O2;TVIIVLNPANAELF-UHFFFAOYSA-N;134.13;0.29;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP1_SC5";;;;;;;0.81;;-0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM426769;MM426769;CC(=O)OC(=NN)C(F)F;SGPUMZKPCSOJON-UHFFFAOYSA-N;152.1;0.09;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_N0";;;;;;;0.34;;-1.53;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM426770;MM426770;CCC1(CCCC#N)CO1;KYVQATYVBJIFSD-UHFFFAOYSA-N;139.2;1.86;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNa_N0";;;;;;;1.17;;-1.18;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM426771;MM426771;C=Cn1cc(CC#N)cn1;ODVAYQFGEUTGND-UHFFFAOYSA-N;133.15;1.05;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNa_SN0";;;;;;;1.17;;-1.18;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM426772;MM426772;C=CC1OC1C(CO)NC;WDRJEEBBIOICMX-UHFFFAOYSA-N;143.19;-0.48;;;;;DOPC;MDCG;27;1;"MARTINI bead: P2_SNa";;;;;;;-0.24;;-4.97;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM426773;MM426773;C#CC(C#C)C=NOC=O;OYGIUPPDVZPZTO-UHFFFAOYSA-N;135.12;0.03;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_C5";;;;;;;0.54;;-1.09;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM426774;MM426774;C#CC1=CC2(C#N)CC1O2;CFDDUCBFZMWPHD-UHFFFAOYSA-N;131.13;0.61;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC5_SP1";;;;;;;0.81;;-0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM426775;MM426775;CC(C)c1coc(=NO)o1;XAXINSZCUACDGU-UHFFFAOYSA-N;143.14;1.29;;;;;DOPC;MDCG;27;0;"MARTINI bead: C3_SP2";;;;;;;1.46;;-0.14;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM426776;MM426776;C=CCCCC1(CN)CO1;JSGRWNADCHXMRJ-UHFFFAOYSA-N;141.21;1.07;;;;;DOPC;MDCG;27;1;"MARTINI bead: SP2_C3";;;;;;;1.46;;-2.08;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM426777;MM426777;C=CCc1cnn(C=N)c1;JWJQHJCSFCGNFV-UHFFFAOYSA-N;135.17;1.07;;;;;DOPC;MDCG;27;0;"MARTINI bead: SN0_SP1";;;;;;;0.34;;-1.53;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM426778;MM426778;CCC(NC)C1OC1C#N;HCUKNNMKGPZEAD-UHFFFAOYSA-N;140.19;0.28;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_SP1";;;;;;;0.04;;-4.08;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM426779;MM426779;C#CCC=CC(C#C)C#C;ZWYXYNVEABLJMT-UHFFFAOYSA-N;128.17;1.45;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_N0";;;;;;;1.94;;0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM426780;MM426780;CC(O)c1coc(=NN)o1;SSAXUIHYZQKODI-UHFFFAOYSA-N;144.13;-0.3;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_SP2";;;;;;;-1.06;;-3.82;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM426781;MM426781;C#CC12C=C(CC)C(C1)C2;YKHXRIRTBYSRLR-UHFFFAOYSA-N;132.21;2.37;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC2_SC5";;;;;;;3.6;;0.34;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM426782;MM426782;C=CCCCC1(CO)CO1;DWQJIUQOZJKNFN-UHFFFAOYSA-N;142.2;1.1;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP1_C3";;;;;;;1.74;;0.29;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM426783;MM426783;CCOCC=COC=NN;RJVUIBSNBPZBIS-UHFFFAOYSA-N;144.17;0.46;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_Nda";;;;;;;0.87;;-1.99;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM426784;MM426784;CNC(CO)C1OC1C=O;HZGWRAVZWMVJFX-UHFFFAOYSA-N;145.16;-1.47;;;;;DOPC;MDCG;27;1;"MARTINI bead: P2_SP2";;;;;;;-1.34;;-5.75;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM426785;MM426785;COC(=NN)C(=O)N(C)C;PCTCEVOCURTBHO-UHFFFAOYSA-N;145.16;-1.01;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_P2";;;;;;;-1.06;;-3.82;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM426786;MM426786;CC=CC=CC(CC)CC;MLHMTLAGRGIGRQ-UHFFFAOYSA-N;138.25;3.55;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1_C2";;;;;;;4.87;;0.53;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM426787;MM426787;C#CC12C=C(CN)C(C1)C2;QCUKVSIPAFPWQW-UHFFFAOYSA-N;133.19;0.91;;;;;DOPC;MDCG;27;1;"MARTINI bead: SNd_SC5";;;;;;;1.64;;-2.13;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM426788;MM426788;O=CCCCC1(CO)CO1;LDLQSJWFYMNHJK-UHFFFAOYSA-N;144.17;0.12;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP2_C5";;;;;;;0.54;;-1.09;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM426789;MM426789;C=CCc1cnn(C=O)c1;MPLCRVATLUUAQA-UHFFFAOYSA-N;136.15;0.65;;;;;DOPC;MDCG;27;0;"MARTINI bead: SN0_SP1";;;;;;;0.34;;-1.53;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM426790;MM426790;C=CC1OC1C(CN)OC;BYWVRYFPEVFJGX-UHFFFAOYSA-N;143.19;-0.09;;;;;DOPC;MDCG;27;1;"MARTINI bead: P2_SNa";;;;;;;-0.24;;-5.23;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM426791;MM426791;CC(F)C(=N)NOC=NN;ABWFJFGTKLWEPR-UHFFFAOYSA-N;148.14;-0.26;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda_P2";;;;;;;-0.24;;-3.31;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM426792;MM426792;CCC(C=CC=CF)CC;IKRLJYAEENZORZ-UHFFFAOYSA-N;142.22;3.46;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1_C4";;;;;;;4.24;;0.42;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM426793;MM426793;N=C(C=NN)N(N)C=O;XODLMCZYIYDFDM-UHFFFAOYSA-N;129.12;-1.76;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_P4";;;;;;;-2.01;;-5.13;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM426794;MM426794;N#CCCCC1(CO)CO1;AZBIJYZUZJRVKJ-UHFFFAOYSA-N;141.17;0.44;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP2_N0";;;;;;;0.06;;-2.21;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM426795;MM426795;CCC(OC)C1OC1C=O;MPGMWZQLUFGSOK-UHFFFAOYSA-N;144.17;0.38;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_SP2";;;;;;;-0.24;;-3.24;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM426796;MM426796;N#CCc1cnn(C=O)c1;DYRODQYVLOCRAX-UHFFFAOYSA-N;135.13;-0.01;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP1_SN0";;;;;;;0.34;;-1.53;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM426797;MM426797;N=c1nc(N)c(=N)n(N)o1;DCJXZYKQRQNQNL-UHFFFAOYSA-N;142.12;-2.27;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP3_SP2";;;;;;;-2.2;;-5.19;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM426798;MM426798;C#CC12C=C(CF)C(C1)C2;IFVJRHNQYBMTRG-UHFFFAOYSA-N;136.17;1.93;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC5_SC5";;;;;;;2.41;;0.64;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM426799;MM426799;CC=CC=CC(CC)CN;ZNSQVEHSEXCBKG-UHFFFAOYSA-N;139.24;2.1;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_C1";;;;;;;2.91;;-0.53;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM426800;MM426800;O=CCCCC1(CF)CO1;XUHLHGGKMZJMJL-UHFFFAOYSA-N;146.16;1.09;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNa_Na";;;;;;;0.87;;-2.22;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM426801;MM426801;CC(O)c1noc(=NN)o1;GEXNVSZNOOUPII-UHFFFAOYSA-N;145.12;-0.9;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_SP2";;;;;;;-1.06;;-3.82;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM426802;MM426802;COC(CO)C1OC1C=O;MBGWZVAXYFETSK-UHFFFAOYSA-N;146.14;-1.04;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_SP2";;;;;;;-1.34;;-4.31;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM426803;MM426803;C=CCc1cnn(N=C)c1;YOLXVTJTQWANGD-UHFFFAOYSA-N;135.17;1.08;;;;;DOPC;MDCG;27;0;"MARTINI bead: SN0_SP1";;;;;;;0.34;;-1.53;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM426804;MM426804;C#CC12C=C(OC)C(C1)C2;PNOWNMVLXQQJTM-UHFFFAOYSA-N;134.18;1.56;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC5_SC5";;;;;;;2.41;;0.64;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM426805;MM426805;CCC(C=CC=CF)CN;XVPGOSKXUIWPSM-UHFFFAOYSA-N;143.21;2.01;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_C4";;;;;;;2.2;;-2.19;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM426806;MM426806;CCC1(CCNC=N)CO1;LMOFJFYQQPLNAT-UHFFFAOYSA-N;142.2;0.75;;;;;DOPC;MDCG;27;1;"MARTINI bead: SNa_P2";;;;;;;-0.24;;-7.56;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM426807;MM426807;CC(F)c1noc(=NN)o1;MDYQKUAIUXNUAW-UHFFFAOYSA-N;147.11;0.07;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_SP2";;;;;;;0.54;;-1.09;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM426808;MM426808;CCC(CC)C1CN1C=N;ZSSMLSGQRMJHHP-UHFFFAOYSA-N;140.23;1.71;;;;;DOPC;MDCG;27;1;"MARTINI bead: C1_SP2";;;;;;;1.8;;-2.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM426809;MM426809;CCCOC=COC=NN;KLTNOUNRXDRKAX-UHFFFAOYSA-N;144.17;0.8;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_Nda";;;;;;;0.87;;-1.99;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM426810;MM426810;N=c1oc(N)nn1N;KOSNQECTBAPKEO-UHFFFAOYSA-N;115.1;-1.75;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP2_SP3";;;;;;;-2.2;;-5.19;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM426811;MM426811;C#CC12C=C(CN)C(C1)N2;SUCVYJFKMPEXTL-UHFFFAOYSA-N;134.18;-0.38;;;;;DOPC;MDCG;27;1;"MARTINI bead: SNd_SP2";;;;;;;-0.24;;-5.05;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM426812;MM426812;NN=c1onc(C(F)F)o1;ZIISMLVEWXSTDA-UHFFFAOYSA-N;151.07;-0.02;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP2_N0";;;;;;;0.06;;-2.21;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM426813;MM426813;CCC(CN)C1CN1C=N;XEKBFRDEXXGPPO-UHFFFAOYSA-N;141.22;0.26;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_SP2";;;;;;;-0.24;;-6.33;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM426814;MM426814;CCc1oc(=NN)oc1F;GNHGMWPCBGREQZ-UHFFFAOYSA-N;146.12;0.35;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_SP1";;;;;;;0.81;;-0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM426815;MM426815;C=COc1cnn(C=C)c1;UZZGXDAFONXMAR-UHFFFAOYSA-N;136.15;1.51;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNa_SNa";;;;;;;0.87;;-2.22;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM426816;MM426816;CC1CC2(O)CC1C2;CEENFNHSQUDLBP-UHFFFAOYSA-N;112.17;1.17;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC3_SNda";;;;;;;2.57;;0.44;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM426817;MM426817;C#CC12C=C(CC)C(C1)O2;HIAPSPCSFLEDNY-UHFFFAOYSA-N;134.18;1.5;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC2_SNa";;;;;;;2.83;;0.35;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM426818;MM426818;Cn1nc(N)c(F)cc1=N;QTBADULEICGCDE-UHFFFAOYSA-N;142.14;-0.38;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP2_SP1";;;;;;;-1.06;;-3.82;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM426819;MM426819;N=CNCCC1(CN)CO1;CNBRQJOLFXUZNK-UHFFFAOYSA-N;143.19;-0.7;;;;;DOPC;MDCG;27;1;"MARTINI bead: SP2_P3";;;;;;;-2.2;;-9.12;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM426820;MM426820;C=COc1cnn(C=N)c1;SCQGORDFRNJSRM-UHFFFAOYSA-N;137.14;0.86;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNa_SP1";;;;;;;0.04;;-2.54;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM426821;MM426821;N=CN1CC1C(CN)CN;VPRCGCILJWASLN-UHFFFAOYSA-N;142.21;-1.19;;;;;DOPC;MDCG;27;1;"MARTINI bead: P3_SP2";;;;;;;-2.2;;-8.26;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM426822;MM426822;C#CC12C=C(CN)C(C1)O2;HWIHLZSHQNEDOU-UHFFFAOYSA-N;135.17;0.05;;;;;DOPC;MDCG;27;1;"MARTINI bead: SNd_SNa";;;;;;;0.87;;-4.05;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM426823;MM426823;CC=CC=CC(CC)CF;UFAAJWXFKPYGPR-UHFFFAOYSA-N;142.22;3.11;;;;;DOPC;MDCG;27;0;"MARTINI bead: C2_C2";;;;;;;4.78;;0.59;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM426824;MM426824;CN(C)c1coc(=NO)o1;AJIKIUZAHQSGNP-UHFFFAOYSA-N;144.13;0.23;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_SP2";;;;;;;-1.06;;-3.82;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM426825;MM426825;CCC(CC)C1CN1C=O;YDJZJGHZAFEWNQ-UHFFFAOYSA-N;141.21;1.26;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1_SP2";;;;;;;1.8;;0.4;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM426826;MM426826;C=COc1cnn(C=O)c1;DSTYXGJWZIFVQG-UHFFFAOYSA-N;138.13;0.44;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNa_SP1";;;;;;;0.04;;-2.54;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM426827;MM426827;NCC1(CCNC=O)CO1;WXJHKFFNZOVLQT-UHFFFAOYSA-N;144.17;-1.15;;;;;DOPC;MDCG;27;1;"MARTINI bead: SP2_P3";;;;;;;-2.2;;-6.93;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM426828;MM426828;CC=CC=CC(CN)CN;UGNSWFVDXJIFRE-UHFFFAOYSA-N;140.23;0.65;;;;;DOPC;MDCG;27;1;"MARTINI bead: C1_P3";;;;;;;0.94;;-2.48;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM426829;MM426829;C#CC12C=C(CO)C(C1)O2;BJQTUTOFLPNLNF-UHFFFAOYSA-N;136.15;0.08;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNda_SNa";;;;;;;0.87;;-1.99;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM426830;MM426830;C=CC(=C)C(C)C1(O)CC1;FJVWCCBYPXXHNV-UHFFFAOYSA-N;138.21;1.89;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1_SP1";;;;;;;2.08;;0.48;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM426831;MM426831;C=COc1cnn(N=C)c1;BXPDXOGEPJZNLR-UHFFFAOYSA-N;137.14;0.87;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNa_SP1";;;;;;;0.04;;-2.54;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM426832;MM426832;CCC(CN)C1CN1C=O;FOIGIMJDUNCAON-UHFFFAOYSA-N;142.2;-0.19;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_SP2";;;;;;;-0.24;;-5.51;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM426833;MM426833;N=CNCCC1(CO)CO1;HDBWTBOVMJGZTF-UHFFFAOYSA-N;144.17;-0.67;;;;;DOPC;MDCG;27;1;"MARTINI bead: SP1_P3";;;;;;;-1.93;;-8.66;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM426834;MM426834;C#CC12C=C(CF)C(C1)O2;VZZOFGRLBRNYOV-UHFFFAOYSA-N;138.14;1.06;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC5_SNa";;;;;;;1.64;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM426835;MM426835;CC=CC=CC(CN)CF;ALUBMPTXFMDGBV-UHFFFAOYSA-N;143.21;1.66;;;;;DOPC;MDCG;27;1;"MARTINI bead: C1_P1";;;;;;;2.08;;-1.07;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM426836;MM426836;C=C(C)C1=CCC(=CC)C1;LXCBKHAUVOPJKG-UHFFFAOYSA-N;134.22;3.23;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC3_SC1";;;;;;;4.61;;0.31;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM426837;MM426837;C=CCc1cn(C=C)cn1;USOYOUXISRFVGC-UHFFFAOYSA-N;134.18;1.71;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNa_SP1";;;;;;;0.04;;-2.54;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM426838;MM426838;CNC(CN)C1CN1C=N;IMVDJBZBOQSYRU-UHFFFAOYSA-N;142.21;-1.18;;;;;DOPC;MDCG;27;1;"MARTINI bead: P3_SP2";;;;;;;-2.2;;-7.98;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM426839;MM426839;O=CNCCC1(CO)CO1;MUVWDUZYAMYTMM-UHFFFAOYSA-N;145.16;-1.12;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP1_P3";;;;;;;-1.93;;-4.72;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM426840;MM426840;C#CC12C=C(OC)C(C1)O2;ISVKBGVHRNRPRJ-UHFFFAOYSA-N;136.15;0.69;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC5_SNa";;;;;;;1.64;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM426841;MM426841;NCC(C=CC=CF)CF;AVROUFKAYSHIMP-UHFFFAOYSA-N;147.17;1.57;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1_C4";;;;;;;1.37;;-2.62;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM426842;MM426842;C=C(C)C1=CCC(=CF)C1;GBYAFKYRIGHUSQ-UHFFFAOYSA-N;138.19;3.14;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC1_SC5";;;;;;;3.68;;0.46;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM426843;MM426843;CNC(CO)C1CN1C=O;KGGZVORYWMHGHT-UHFFFAOYSA-N;144.17;-1.59;;;;;DOPC;MDCG;27;1;"MARTINI bead: P2_SP2";;;;;;;-1.34;;-5.93;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM426844;MM426844;O=CNCCC1(CF)CO1;JXYNAOIQXATIOC-UHFFFAOYSA-N;147.15;-0.14;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNa_P3";;;;;;;-1.1;;-4.2;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM426845;MM426845;COCOC=COC=NN;QHEDSZCJKQHQJL-UHFFFAOYSA-N;146.15;;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_Nda";;;;;;;-0.24;;-3.31;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM426846;MM426846;C#CC12C=C(C=C)C(C1)C2;DZXPTDWXKWCHLW-UHFFFAOYSA-N;130.19;2.14;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC3_SC5";;;;;;;3.34;;0.48;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM426847;MM426847;CC=CC=CC(CO)CO;AQNIEPRWEZWSQI-UHFFFAOYSA-N;142.2;0.72;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1_P3";;;;;;;0.94;;0.03;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM426848;MM426848;C=NNCCC1(CC)CO1;IFUPPVAPZMZCGT-UHFFFAOYSA-N;142.2;0.76;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNa_Nd";;;;;;;0.87;;-1.88;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM426849;MM426849;C=C(C)C1=CCC(=NN)C1;NXIYKAXFWGZBOP-UHFFFAOYSA-N;136.2;1.6;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC1_SNd";;;;;;;2.91;;0.63;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM426850;MM426850;OCC(C=CC=CF)CO;NDEJZIRTAJPMGF-UHFFFAOYSA-N;146.16;0.63;;;;;DOPC;MDCG;27;0;"MARTINI bead: P3_C4";;;;;;;0.23;;-1.03;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM426851;MM426851;C=CCc1cn(C=O)cn1;PMOBVZPEHTYANJ-UHFFFAOYSA-N;136.15;0.65;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNa_SP2";;;;;;;-0.24;;-3.24;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM426852;MM426852;COC(CN)C1CN1C=N;DCWGSKXDGWWZGO-UHFFFAOYSA-N;143.19;-0.75;;;;;DOPC;MDCG;27;1;"MARTINI bead: P2_SP2";;;;;;;-1.34;;-6.89;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM426853;MM426853;C#CC12C=C(C=O)C(C1)C2;UVWRDZNIAUBIAQ-UHFFFAOYSA-N;132.16;1.15;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNa_SC5";;;;;;;1.64;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM426854;MM426854;C=NNCCC1(CN)CO1;MQZKKEVQBPIXFD-UHFFFAOYSA-N;143.19;-0.69;;;;;DOPC;MDCG;27;1;"MARTINI bead: SP2_P2";;;;;;;-1.34;;-6.36;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM426855;MM426855;C=C(C)C1=CCC(=NO)C1;VHXDJSPJYJMMTM-UHFFFAOYSA-N;137.18;2.11;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC1_SNda";;;;;;;2.91;;0.57;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM426856;MM426856;COC(OC)C1CN1C=N;SSMVFAIECZBNGK-UHFFFAOYSA-N;144.17;-0.1;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1_SP2";;;;;;;-1.06;;-5.76;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM426857;MM426857;C#CC12C=C(C#N)C(C1)C2;GDRHTQFILBAQAI-UHFFFAOYSA-N;129.16;1.48;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC5_SN0";;;;;;;1.94;;0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM426858;MM426858;CC=CC=CC(CO)CF;ZLRDYFSVRFLOAD-UHFFFAOYSA-N;144.19;1.7;;;;;DOPC;MDCG;27;0;"MARTINI bead: C2_Nda";;;;;;;2.83;;0.57;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM426859;MM426859;N#CCc1cn(C=O)cn1;OULZUBXLDRYEET-UHFFFAOYSA-N;135.13;-0.01;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP2_SNa";;;;;;;-0.24;;-3.24;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM426860;MM426860;C=C(C)C1=CCC(=NC)N1;GAXAYGUOUMYOAZ-UHFFFAOYSA-N;136.2;1.47;;;;;DOPC;MDCG;27;1;"MARTINI bead: SNd_SN0";;;;;;;1.17;;-3.83;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM426861;MM426861;CNc1oc(=NN)oc1C;KTNGCGAGPFWHRX-UHFFFAOYSA-N;143.15;;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_SP1";;;;;;;-1.06;;-3.82;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM426862;MM426862;C=NN1CC1C(CC)CC;RPAPJXAOTOZXKC-UHFFFAOYSA-N;140.23;1.72;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1_SP2";;;;;;;1.8;;0.4;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM426863;MM426863;C#CC12C=C(C#N)C(C1)N2;YAZHLMARMQGWJM-UHFFFAOYSA-N;130.15;0.18;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP2_SN0";;;;;;;0.06;;-2.21;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM426864;MM426864;C=Cn1cnc(NC=N)c1;GSFAQZQVBVMJGS-UHFFFAOYSA-N;136.16;1;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP1_SP2";;;;;;;-1.06;;-3.82;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM426865;MM426865;OCC(C=CC=CF)CF;WECPFAVVXUZEGF-UHFFFAOYSA-N;148.15;1.6;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda_C4";;;;;;;2.2;;0.49;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM426866;MM426866;C=COCCC1(CC)CO1;FFJSGVZLJVYAJV-UHFFFAOYSA-N;142.2;1.72;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNa_Na";;;;;;;0.87;;-2.22;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM426867;MM426867;C=C(C)C1=CCC(NN)=N1;LQKPFDRASNYVGQ-UHFFFAOYSA-N;137.19;0.71;;;;;DOPC;MDCG;27;1;"MARTINI bead: SC4_SP1";;;;;;;1.37;;-1.84;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM426868;MM426868;C=NN1CC1C(CC)CN;VZDDFUWMFAWJSN-UHFFFAOYSA-N;141.22;0.27;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_SP2";;;;;;;-0.24;;-5.61;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM426869;MM426869;C#CC12C=C(C=C)C(C1)O2;RLENYEKTGQIGOB-UHFFFAOYSA-N;132.16;1.27;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC3_SNa";;;;;;;2.57;;0.45;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM426870;MM426870;N=CNc1cn(C=N)cn1;AAAGZKDCZSXXLT-UHFFFAOYSA-N;137.15;0.36;;;;;DOPC;MDCG;27;1;"MARTINI bead: SP2_SP2";;;;;;;-1.34;;-5.58;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM426871;MM426871;FC=CC=CC(CF)CF;BBRAFNJDTRHXIZ-UHFFFAOYSA-N;150.14;2.58;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_C4";;;;;;;2.97;;0.45;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM426872;MM426872;CCC1(CCOC=O)CO1;ISBJWKAIMVYMEV-UHFFFAOYSA-N;144.17;0.73;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNa_P1";;;;;;;0.04;;-2.54;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM426873;MM426873;CCN(C=NC(C)=O)CC;PYKBHRPANZLWAK-UHFFFAOYSA-N;142.2;0.9;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_P2";;;;;;;0.54;;-1.09;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM426874;MM426874;C=NN1CC1C(CN)CN;VSUUASIXLRFGIQ-UHFFFAOYSA-N;142.21;-1.18;;;;;DOPC;MDCG;27;1;"MARTINI bead: P3_SP2";;;;;;;-2.2;;-7.57;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM426875;MM426875;C#CC12C=C(C=O)C(C1)O2;CZBHCDCACSBSGV-UHFFFAOYSA-N;134.13;0.29;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNa_SNa";;;;;;;0.87;;-2.22;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM426876;MM426876;CCC(C=CC=NN)CC;IYBAZOARFODNHQ-UHFFFAOYSA-N;140.23;1.92;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1_Nd";;;;;;;2.91;;0.64;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM426877;MM426877;N=CNc1cn(C=O)cn1;JQLWJGGWYDMFAG-UHFFFAOYSA-N;138.13;-0.06;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP2_SP2";;;;;;;-1.34;;-4.31;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM426878;MM426878;NCC1(CCOC=O)CO1;BYMNJMAOBHCITI-UHFFFAOYSA-N;145.16;-0.72;;;;;DOPC;MDCG;27;1;"MARTINI bead: SP2_Na";;;;;;;-0.24;;-5.29;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM426879;MM426879;C=C(C)c1c[nH]c(=NN)[nH]1;UOHPWNHVSUJPJB-UHFFFAOYSA-N;138.17;0.15;;;;;DOPC;MDCG;27;1;"MARTINI bead: SNd_SP2";;;;;;;-0.24;;-5.26;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM426880;MM426880;C#CC12C=C(C#N)C(C1)O2;ADYSFHNSHPMKAH-UHFFFAOYSA-N;131.13;0.61;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNa_SN0";;;;;;;1.17;;-1.18;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM426881;MM426881;CC1=NN(C)CCC1=O;LTZIGJDWSCQVHV-UHFFFAOYSA-N;126.16;0.27;;;;;DOPC;MDCG;27;0;"MARTINI bead: SN0_SP1";;;;;;;0.34;;-1.53;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM426882;MM426882;C=COc1cn(C=C)cn1;HOAUKEFVDDPZLP-UHFFFAOYSA-N;136.15;1.51;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNa_SP1";;;;;;;0.04;;-2.54;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM426883;MM426883;C=CC1CC1(O)CC;ZCLJOWTWVSBPLF-UHFFFAOYSA-N;112.17;1.33;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNda_C4";;;;;;;2.2;;0.49;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM426884;MM426884;C=COCCC1(CF)CO1;OCDKUKVDBSAOCC-UHFFFAOYSA-N;146.16;1.28;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNa_Na";;;;;;;0.87;;-2.22;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM426885;MM426885;C#CC1=CC2(C#C)CC1C2;RXMOBOSJDQPSFN-UHFFFAOYSA-N;128.17;1.59;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC5_SC5";;;;;;;2.41;;0.64;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM426886;MM426886;C=C(C)C1=CCC(=CC)O1;LOPODNXDJPTGED-UHFFFAOYSA-N;136.19;2.77;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC5_SC4";;;;;;;2.97;;0.45;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM426887;MM426887;C=COc1cn(C=O)cn1;XPSZVWMKQWJDTJ-UHFFFAOYSA-N;138.13;0.44;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNa_SP2";;;;;;;-0.24;;-3.24;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM426888;MM426888;C=NN1CC1C(CN)NC;QVCCCWCSUFUEPM-UHFFFAOYSA-N;142.21;-1.17;;;;;DOPC;MDCG;27;1;"MARTINI bead: P3_SP2";;;;;;;-2.2;;-6.89;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM426889;MM426889;Cc1c(N)nnn1C;BTCAMNSYQXGQEQ-UHFFFAOYSA-N;112.14;-0.29;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP2_SP1";;;;;;;-1.06;;-3.82;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM426890;MM426890;O=COCCC1(CF)CO1;JLCWUOCIJAWAMO-UHFFFAOYSA-N;148.13;0.29;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNa_P1";;;;;;;0.04;;-2.54;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM426891;MM426891;C=C(C)C1=CCC(=CF)O1;ZWAHMTQKMXKTOK-UHFFFAOYSA-N;140.16;2.68;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC4_SC5";;;;;;;2.97;;0.45;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM426892;MM426892;C#CC1=CC2(C#C)CC1O2;HPBXMJXTGSMMLB-UHFFFAOYSA-N;130.15;0.72;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC5_SNa";;;;;;;1.64;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM426893;MM426893;C=CCc1cn(C=C)nn1;AFWBCLMIWWALQW-UHFFFAOYSA-N;135.17;1.11;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNa_SP1";;;;;;;0.04;;-2.54;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM426894;MM426894;C=NN=C1C=CC(=C)N1;UDXQZAWXZJYPSI-UHFFFAOYSA-N;121.14;0.67;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNd_SN0";;;;;;;1.17;;-1.04;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM426895;MM426895;CC(C=O)N1CC1C;PERJYBNWJCSWQX-UHFFFAOYSA-N;113.16;0.28;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP1_P2";;;;;;;-1.06;;-3.82;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM426896;MM426896;C#CC(F)C(C)OC=NN;OAMWZCQIQCGYHM-UHFFFAOYSA-N;144.15;0.26;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda_Na";;;;;;;0.87;;-1.99;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM426897;MM426897;C=NOCCC1(CC)CO1;QOEYKMGTLBRZPQ-UHFFFAOYSA-N;143.19;1.19;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNa_P1";;;;;;;0.04;;-2.54;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM426898;MM426898;C=Cn1cc(CC#N)nn1;PSDHDRPAGZTAEU-UHFFFAOYSA-N;134.14;0.44;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP1_SNa";;;;;;;0.04;;-2.54;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM426899;MM426899;CCC12CC(C)C(C)C1C2;LHWPVVZLIPSRNY-UHFFFAOYSA-N;138.25;3.08;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC2_SC2";;;;;;;4.78;;0.59;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM426900;MM426900;C=NN1CC1C(OC)OC;UTPSSANFEUYNLZ-UHFFFAOYSA-N;144.17;-0.09;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_SP2";;;;;;;-1.06;;-3.82;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM426901;MM426901;CCC(C=CC=NN)CF;RSHZHNGUGLRQLA-UHFFFAOYSA-N;144.19;1.48;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4_Nd";;;;;;;2.2;;0.32;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM426902;MM426902;C=C(C)C1=CCC(=NO)O1;JDKZKFUXSCSAMA-UHFFFAOYSA-N;139.15;1.65;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC4_SNda";;;;;;;2.2;;0.49;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM426903;MM426903;C=CCNCC1(CC)CO1;JLKSYZHRLHBZTD-UHFFFAOYSA-N;141.21;0.94;;;;;DOPC;MDCG;27;1;"MARTINI bead: SNa_P1";;;;;;;0.04;;-4.3;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM426904;MM426904;C=COCC=COC=NN;BLPDXRSGLHSLIG-UHFFFAOYSA-N;142.16;0.58;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda_Na";;;;;;;0.87;;-1.99;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM426905;MM426905;CC1CC2(CN)CC2C1C;QURLHRDIOJKRJQ-UHFFFAOYSA-N;139.24;1.63;;;;;DOPC;MDCG;27;1;"MARTINI bead: SNd_SC2";;;;;;;2.83;;-0.46;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM426906;MM426906;N=CNc1cc(F)no1;IVYFTLUTUYDDJR-UHFFFAOYSA-N;129.09;0.83;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNa_SP1";;;;;;;0.04;;-2.54;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM426907;MM426907;NCC(C=CC=NO)CN;MZBCBXBRZSMPGG-UHFFFAOYSA-N;143.19;-0.46;;;;;DOPC;MDCG;27;1;"MARTINI bead: P2_P1";;;;;;;-1.06;;-6.49;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM426908;MM426908;C=CCc1cn(C=O)nn1;NOSDEQQZAVQHRT-UHFFFAOYSA-N;137.14;0.04;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNa_SP2";;;;;;;-0.24;;-3.24;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM426909;MM426909;CCC1(CNCC#N)CO1;YAZYVTRAILLNQY-UHFFFAOYSA-N;140.19;0.28;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNa_P2";;;;;;;-0.24;;-3.24;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM426910;MM426910;CC(C=NN=CCF)=NN;FCTMDPQMVIPROY-UHFFFAOYSA-N;144.15;0.35;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nd_Na";;;;;;;0.87;;-1.88;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM426911;MM426911;C=NN(C)C(=N)C=NN;GNPLCKXJUFVCIH-UHFFFAOYSA-N;127.15;-0.54;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_P1";;;;;;;-1.06;;-3.82;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM426912;MM426912;CCC(CC)N1CC1C#N;FRPLPLPOLGTDIC-UHFFFAOYSA-N;138.21;1.38;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1_SP2";;;;;;;1.8;;0.4;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM426913;MM426913;C=C(C)c1coc(=NO)o1;SNHAHGDKRDKJND-UHFFFAOYSA-N;141.13;1.2;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4_SP2";;;;;;;1.09;;-0.37;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM426914;MM426914;N#CCc1cn(C=O)nn1;HJFLVHPKOXGKFX-UHFFFAOYSA-N;136.11;-0.62;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP2_SNa";;;;;;;-0.24;;-3.24;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM426915;MM426915;CC1C(N)CC2(CN)CC12;UBKUACCGJUMOES-UHFFFAOYSA-N;140.23;0.32;;;;;DOPC;MDCG;27;1;"MARTINI bead: SNd_SNd";;;;;;;0.87;;-5.28;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM426916;MM426916;C=CCNCC1(CN)CO1;RTICBGNIAJOLNM-UHFFFAOYSA-N;142.2;-0.51;;;;;DOPC;MDCG;27;1;"MARTINI bead: SP2_P1";;;;;;;-1.06;;-5.71;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM426917;MM426917;NCC(C=CC=NO)CO;VDRGVGFDOFNUHA-UHFFFAOYSA-N;144.17;-0.43;;;;;DOPC;MDCG;27;1;"MARTINI bead: P2_P1";;;;;;;-1.06;;-6.19;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM426918;MM426918;C=CC(CC)C1CC1C=C;JYGCOJJTKLILSA-UHFFFAOYSA-N;136.24;3.02;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1_SC4";;;;;;;4.24;;0.42;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM426919;MM426919;C=CCc1cn(N=C)nn1;JOXPHSJIVBCEBG-UHFFFAOYSA-N;136.16;0.47;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNa_SP1";;;;;;;0.04;;-2.54;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM426920;MM426920;CCC12CC(C)C(N)C1C2;GIRPUVZZBBIRNX-UHFFFAOYSA-N;139.24;1.77;;;;;DOPC;MDCG;27;1;"MARTINI bead: SC2_SNd";;;;;;;2.83;;-1.05;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM426921;MM426921;N=C(N)c1coc(=NN)o1;SKLZWVWNSSOXHE-UHFFFAOYSA-N;142.12;-1.07;;;;;DOPC;MDCG;27;1;"MARTINI bead: SP2_P3";;;;;;;-2.2;;-7.59;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM426922;MM426922;OCC(C=CC=NO)CO;GLTOXURQRPTCLK-UHFFFAOYSA-N;145.16;-0.4;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_P1";;;;;;;-0.79;;-3.13;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM426923;MM426923;C=CCNCC1(CO)CO1;CYYOPPXCDOOEDA-UHFFFAOYSA-N;143.19;-0.48;;;;;DOPC;MDCG;27;1;"MARTINI bead: SP2_Nd";;;;;;;-0.24;;-4.4;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM426924;MM426924;C=CC1CC1C(C#N)CC;FPBLGRUBETVVAS-UHFFFAOYSA-N;135.21;2.36;;;;;DOPC;MDCG;27;0;"MARTINI bead: N0_SC4";;;;;;;2.5;;0.44;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM426925;MM426925;CC1CC2(CN)CC2C1N;XAIUZNOOLVZNGI-UHFFFAOYSA-N;140.23;0.32;;;;;DOPC;MDCG;27;1;"MARTINI bead: SNd_SNd";;;;;;;0.87;;-5.32;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM426926;MM426926;NN=c1occ(C(N)=O)o1;MVTFMZCIQMCNMJ-UHFFFAOYSA-N;143.1;-1.25;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP2_P3";;;;;;;-2.2;;-5.19;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM426927;MM426927;C=CCOC=COC=NN;ZARILGSBPSLDKJ-UHFFFAOYSA-N;142.16;0.58;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda_Na";;;;;;;0.87;;-1.99;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM426928;MM426928;ON=CC=CC(CF)CF;MOBBVBRGFYKUNB-UHFFFAOYSA-N;149.14;1.56;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_C5";;;;;;;0.81;;-0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM426929;MM426929;CNc1oc(=NN)oc1F;DMDXBUWJKZWYGD-UHFFFAOYSA-N;147.11;-0.17;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_SP1";;;;;;;-1.06;;-3.82;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM426930;MM426930;C=CC(CN)C1CC1C=C;GECRFEFMTYOTEP-UHFFFAOYSA-N;137.23;1.57;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_SC4";;;;;;;2.2;;-2.18;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM426931;MM426931;NN=c1[nH]nc(F)c(=O)o1;ZKNAYBMOIOEOLC-UHFFFAOYSA-N;146.08;-1.72;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP3_SP2";;;;;;;-2.2;;-9.55;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM426932;MM426932;CCC12CC(N)C(N)C1C2;VGZGIZQPESQQLA-UHFFFAOYSA-N;140.23;0.46;;;;;DOPC;MDCG;27;1;"MARTINI bead: SC2_SP1";;;;;;;2;;-1.21;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM426933;MM426933;CC=CC=CC(CC)NC;LCPKRLDSZVTVBZ-UHFFFAOYSA-N;139.24;2.12;;;;;DOPC;MDCG;27;1;"MARTINI bead: C5_C2";;;;;;;3.6;;0.6;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM426934;MM426934;C=Cn1cc(NC=N)nn1;RUQFXNNHNFLTQZ-UHFFFAOYSA-N;137.15;0.4;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP1_SP2";;;;;;;-1.06;;-3.82;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM426935;MM426935;N#CCNCC1(CF)CO1;KBKTXKDIYWBCEX-UHFFFAOYSA-N;144.15;-0.16;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNa_P2";;;;;;;-0.24;;-3.24;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM426936;MM426936;CNC1=NCC(C#N)N1;KTBDZXQMSUDDQQ-UHFFFAOYSA-N;124.15;-0.94;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP1_SP1";;;;;;;-0.79;;-3.13;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM426937;MM426937;CCOC(=NN)C(F)=CN;NWVHKOPNSGRFMG-UHFFFAOYSA-N;147.15;0.06;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda_Nda";;;;;;;0.87;;-2.07;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM426938;MM426938;NCC12CC(N)C(N)C1C2;WRJXXINTXFDQCF-UHFFFAOYSA-N;141.22;-0.99;;;;;DOPC;MDCG;27;1;"MARTINI bead: SNd_SP1";;;;;;;0.04;;-5.46;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM426939;MM426939;CCC(C=CC=CF)NC;KOQUOJGRXRXQJO-UHFFFAOYSA-N;143.21;2.02;;;;;DOPC;MDCG;27;1;"MARTINI bead: C5_C4";;;;;;;2.97;;0.13;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM426940;MM426940;C=Nn1cc(NC=N)nn1;LOUGWMPESXOHPX-UHFFFAOYSA-N;138.13;-0.24;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP1_SP2";;;;;;;-1.06;;-3.82;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM426941;MM426941;C=CC1CC1C(C=O)CO;VOVZHKYDHVITAX-UHFFFAOYSA-N;140.18;0.62;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_SC4";;;;;;;1.09;;-0.38;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM426942;MM426942;COc1oc(=NN)oc1C;ACXDMWPHLPYCRA-UHFFFAOYSA-N;144.13;-0.04;;;;;DOPC;MDCG;27;0;"MARTINI bead: P3_SP1";;;;;;;-1.93;;-4.72;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM426943;MM426943;CCC12CC(O)C(N)C1C2;PNSIAEDNFZQADY-UHFFFAOYSA-N;141.21;0.49;;;;;DOPC;MDCG;27;1;"MARTINI bead: SC2_SP1";;;;;;;2;;-1.14;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM426944;MM426944;N=CN(N)C(=O)C(=O)O;BKVHOPRUJSPNAS-UHFFFAOYSA-N;131.09;-1.62;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_P2";;;;;;;-1.34;;-9.23;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM426945;MM426945;C=COc1cn(C=C)nn1;WIFPXVHXFDZESY-UHFFFAOYSA-N;137.14;0.9;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP1_SP1";;;;;;;-0.79;;-3.13;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM426946;MM426946;CC=CC=CC(CN)NC;WCFJBMKVLVSBDU-UHFFFAOYSA-N;140.23;0.67;;;;;DOPC;MDCG;27;1;"MARTINI bead: P2_C2";;;;;;;1.72;;-1.56;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM426947;MM426947;NCC1(CNNC=O)CO1;RXDNSUCIAKZDOY-UHFFFAOYSA-N;145.16;-2.04;;;;;DOPC;MDCG;27;1;"MARTINI bead: SP2_P4";;;;;;;-2.29;;-7.34;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM426948;MM426948;C=CC1CC1C(C#N)CF;NUXZZKYAIQHXAV-UHFFFAOYSA-N;139.17;1.92;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_SC4";;;;;;;2.2;;0.34;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM426949;MM426949;C=CC(C=NN)=NN=C;DLJDLDYWFPHVIB-UHFFFAOYSA-N;124.15;0.17;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_C5";;;;;;;0.81;;-0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM426950;MM426950;C=NOC(=NN)C(F)=CF;DFWOWZUHUBFGCQ-UHFFFAOYSA-N;149.1;0.67;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_C5";;;;;;;0.81;;-0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM426951;MM426951;C=COc1cn(C=N)nn1;BUNJFKIQOCAWRU-UHFFFAOYSA-N;138.13;0.26;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP1_SP2";;;;;;;-1.06;;-3.82;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM426952;MM426952;CNC(C=CC=CF)CO;ABVDXGGIYWWGRL-UHFFFAOYSA-N;145.18;0.61;;;;;DOPC;MDCG;27;1;"MARTINI bead: P2_C5";;;;;;;0.54;;-2.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM426953;MM426953;C=CC(CC)C1CC1C=O;LZYYCQSRLHBPNO-UHFFFAOYSA-N;138.21;2.03;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1_SNa";;;;;;;2.91;;0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM426954;MM426954;C=Cc1oc(=NN)oc1C;HASMOBITNUWJMD-UHFFFAOYSA-N;140.14;0.6;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP1_N0";;;;;;;0.34;;-1.53;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM426955;MM426955;C=C(F)C(=NN)ON=CC;RQHKTWDSUGJKNK-UHFFFAOYSA-N;145.14;0.76;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda_C5";;;;;;;1.64;;0.05;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM426956;MM426956;CC1CC2(CN)CC2C1O;MYDLACJSXYPLDZ-UHFFFAOYSA-N;141.21;0.35;;;;;DOPC;MDCG;27;1;"MARTINI bead: SNd_SNda";;;;;;;0.87;;-4.1;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM426957;MM426957;C=COc1cn(C=O)nn1;UAXKFTIQQKDBOW-UHFFFAOYSA-N;139.11;-0.16;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP1_SP2";;;;;;;-1.06;;-3.82;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM426958;MM426958;CCC(C=CC=NN)NC;PHWWWCQXCLXRKS-UHFFFAOYSA-N;141.22;0.49;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_Nd";;;;;;;0.87;;-4.69;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM426959;MM426959;C=CC(CC)C1CC1C#N;ONFLACYEUNKKCF-UHFFFAOYSA-N;135.21;2.36;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1_SN0";;;;;;;3.21;;0.46;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM426960;MM426960;C=CCOCC1(CC)CO1;FYCLQIITZZBECP-UHFFFAOYSA-N;142.2;1.37;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNa_Na";;;;;;;0.87;;-2.22;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM426961;MM426961;NN=c1onc(C(N)=O)o1;ZPIYKHFUUAFMHA-UHFFFAOYSA-N;144.09;-1.86;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP2_P3";;;;;;;-2.2;;-5.19;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM426962;MM426962;C=COc1cn(N=C)nn1;ZQAGWEHJEARDOO-UHFFFAOYSA-N;138.13;0.26;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP1_SP1";;;;;;;-0.79;;-3.13;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM426963;MM426963;CC1CC2(CO)CC2C1O;YOLHEZSENPOAHG-UHFFFAOYSA-N;142.2;0.39;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNda_SNda";;;;;;;0.87;;-2.07;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM426964;MM426964;CNC(C=CC=NO)CN;BAHALFFSLCSVGC-UHFFFAOYSA-N;143.19;-0.45;;;;;DOPC;MDCG;27;1;"MARTINI bead: P2_P1";;;;;;;-1.06;;-6.05;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM426965;MM426965;CCC(C#N)C1CC1C=O;HRPKBVKUXJVUEN-UHFFFAOYSA-N;137.18;1.37;;;;;DOPC;MDCG;27;0;"MARTINI bead: N0_SNa";;;;;;;1.17;;-1.18;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM426966;MM426966;CCC1(COCC=O)CO1;YFDMSVRQUOUYID-UHFFFAOYSA-N;144.17;0.38;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNa_P1";;;;;;;0.04;;-2.54;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM426967;MM426967;CCC12CC(N)C(O)C1C2;RQNAXACMBWQSPB-UHFFFAOYSA-N;141.21;0.49;;;;;DOPC;MDCG;27;1;"MARTINI bead: SC2_SP1";;;;;;;2;;-1.08;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM426968;MM426968;C=CCc1ccn(C=C)n1;DHQRIRHLWZLNHV-UHFFFAOYSA-N;134.18;1.71;;;;;DOPC;MDCG;27;0;"MARTINI bead: SN0_SNa";;;;;;;1.17;;-1.18;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM426969;MM426969;CCC(C=O)C1CC1C#N;DBMIDPTYRKORFG-UHFFFAOYSA-N;137.18;1.37;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_SN0";;;;;;;1.94;;0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM426970;MM426970;CNC(C=CC=NO)CO;IRENVGPORJLXEX-UHFFFAOYSA-N;144.17;-0.42;;;;;DOPC;MDCG;27;1;"MARTINI bead: P2_P1";;;;;;;-1.06;;-5.62;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM426971;MM426971;O=c1oc(O)c(F)n1O;VCYJMZLFUGGVGX-UHFFFAOYSA-N;135.05;-0.48;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP1_SP2";;;;;;;-1.06;;-8.72;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM426972;MM426972;CCC1(COCC#N)CO1;XXCNUIJLSLVEFZ-UHFFFAOYSA-N;141.17;0.71;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNa_P1";;;;;;;0.04;;-2.54;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM426973;MM426973;CCC12CC(C)C(F)C1C2;AUZQCYKMUNOCFE-UHFFFAOYSA-N;142.22;2.78;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC2_SC4";;;;;;;4.16;;0.44;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM426974;MM426974;CC=CC=CC(CC)OC;RJQJOLCCNBSGEK-UHFFFAOYSA-N;140.23;2.54;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4_C2";;;;;;;4.16;;0.44;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM426975;MM426975;C=C1CCC(O)(C(=C)C)C1;VFFITADBGMOHKZ-UHFFFAOYSA-N;138.21;2.03;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC5_SC4";;;;;;;2.97;;0.45;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM426976;MM426976;C=Cn1ccc(CC#N)n1;XMCZOIOAFVCSIL-UHFFFAOYSA-N;133.15;1.05;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNa_SN0";;;;;;;1.17;;-1.18;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM426977;MM426977;NN=c1onc([N+](=O)[O-])o1;WFALIKKLCIFFKA-UHFFFAOYSA-N;146.06;-1.05;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP2_N0";;;;;;;0.06;;-2.21;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM426978;MM426978;C=CCOCC1(CN)CO1;ZHHNZPLNHYEHAB-UHFFFAOYSA-N;143.19;-0.08;;;;;DOPC;MDCG;27;1;"MARTINI bead: SP2_Na";;;;;;;-0.24;;-5.22;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM426979;MM426979;CC1CC2(CN)CC2C1F;UFTPDHMNMLJKKG-UHFFFAOYSA-N;143.21;1.33;;;;;DOPC;MDCG;27;1;"MARTINI bead: SNd_SC4";;;;;;;2.2;;-1.91;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM426980;MM426980;CC=CC=CC(CN)OC;BIAYKZVPONGEHI-UHFFFAOYSA-N;141.21;1.09;;;;;DOPC;MDCG;27;1;"MARTINI bead: P2_C1";;;;;;;1.8;;-0.92;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM426981;MM426981;C=CCc1ccn(C=N)n1;NDWQSLQXGQUZJL-UHFFFAOYSA-N;135.17;1.07;;;;;DOPC;MDCG;27;0;"MARTINI bead: SN0_SP1";;;;;;;0.34;;-1.53;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM426982;MM426982;CNC(=O)C=C(F)C(=O)O;RJUUQOHSGDKKBQ-UHFFFAOYSA-N;147.11;-0.33;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda_P1";;;;;;;0.04;;-7.79;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM426983;MM426983;CCOC(=N)NC(=N)C#N;OTKNUODBJSHKSB-UHFFFAOYSA-N;140.15;0.05;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda_P2";;;;;;;-0.24;;-3.31;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM426984;MM426984;N#CCOCC1(CO)CO1;WCDFLKUPBGFKME-UHFFFAOYSA-N;143.14;-0.71;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP2_P1";;;;;;;-1.06;;-3.82;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM426985;MM426985;CC1CC2(CO)CC2C1F;QCGDXOKKJZXGEA-UHFFFAOYSA-N;144.19;1.36;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNda_SC4";;;;;;;2.2;;0.49;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM426986;MM426986;N#CC(CO)C1CC1C#N;STZKIPWCEQZGPE-UHFFFAOYSA-N;136.15;0.28;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_SN0";;;;;;;0.06;;-2.21;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM426987;MM426987;C=C(F)c1noc(=NN)o1;UTVIQTRIHPFENH-UHFFFAOYSA-N;145.09;-0.02;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP2_C5";;;;;;;0.54;;-1.09;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM426988;MM426988;C#CCCC=COC=NN;QSBBHRCCQHAKQH-UHFFFAOYSA-N;138.17;0.83;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_C3";;;;;;;1.74;;0.29;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM426989;MM426989;CC=CC=CC(CO)OC;MMGWDLIDUKDAEU-UHFFFAOYSA-N;142.2;1.13;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_C1";;;;;;;1.8;;0.4;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM426990;MM426990;CCC1(CONC=N)CO1;GBEHNDNJHKUGCT-UHFFFAOYSA-N;144.17;0.29;;;;;DOPC;MDCG;27;1;"MARTINI bead: SNa_P3";;;;;;;-1.1;;-5.96;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM426991;MM426991;CNC12CC(C)C(C)C1C2;IDZALNZGMYQZLI-UHFFFAOYSA-N;139.24;1.64;;;;;DOPC;MDCG;27;1;"MARTINI bead: SNd_SC2";;;;;;;2.83;;-0.85;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM426992;MM426992;CCC1=CC=C(C(C)C)C1;UNXJPXXOJPTBHC-UHFFFAOYSA-N;136.24;3.31;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC3_SC3";;;;;;;4.27;;0.2;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM426993;MM426993;C=CC(CF)C1CC1C=O;SGGWXYOZRATTLT-UHFFFAOYSA-N;142.17;1.59;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_SNa";;;;;;;1.64;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM426994;MM426994;C=CCc1ccn(C=O)n1;NUOWUSAMZWVXSU-UHFFFAOYSA-N;136.15;0.65;;;;;DOPC;MDCG;27;0;"MARTINI bead: SN0_SP1";;;;;;;0.34;;-1.53;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM426995;MM426995;COC(C=CC=CF)CO;PDBOICLIRHQXIN-UHFFFAOYSA-N;146.16;1.03;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_C4";;;;;;;1.09;;-0.38;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM426996;MM426996;CCC1(CONC=O)CO1;ZNBXKTMVTMHPLO-UHFFFAOYSA-N;145.16;-0.16;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNa_P2";;;;;;;-0.24;;-3.24;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM426997;MM426997;CNC12CC(N)C(O)C1C2;APDZQKGAXHPCGS-UHFFFAOYSA-N;142.2;-0.94;;;;;DOPC;MDCG;27;1;"MARTINI bead: SNd_SP1";;;;;;;0.04;;-5;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM426998;MM426998;CC(C)C1=CC=C(CN)C1;SBWDAINXJSECHW-UHFFFAOYSA-N;137.23;1.86;;;;;DOPC;MDCG;27;1;"MARTINI bead: SC3_SNd";;;;;;;2.57;;-0.95;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM426999;MM426999;N#CC(CF)C1CC1C=O;UVHWQRHSJCHROX-UHFFFAOYSA-N;141.15;0.93;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_SNa";;;;;;;0.87;;-2.22;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM427000;MM427000;CCC(C=CC=NN)OC;QKYXWXPJKKUJOG-UHFFFAOYSA-N;142.2;0.91;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_Nd";;;;;;;0.87;;-1.88;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM427001;MM427001;N#CCc1ccn(C=O)n1;WFOPCGAWSCEHSU-UHFFFAOYSA-N;135.13;-0.01;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP1_SN0";;;;;;;0.34;;-1.53;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM427002;MM427002;N=CNOCC1(CN)CO1;XBXKIYDKGBVGAD-UHFFFAOYSA-N;145.16;-1.16;;;;;DOPC;MDCG;27;1;"MARTINI bead: SP2_P3";;;;;;;-2.2;;-7.2;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM427003;MM427003;CCC(C=CC=NO)OC;HXEVUOSMQHONQF-UHFFFAOYSA-N;143.19;1.43;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4_P1";;;;;;;1.37;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM427004;MM427004;CC(C)C1=CC=C(CO)C1;ZIWOQCSTSIVTIX-UHFFFAOYSA-N;138.21;1.89;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC3_SNda";;;;;;;2.57;;0.44;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM427005;MM427005;CCC12CC1C(C)C(C)N2;BZOPVNNMLQDREV-UHFFFAOYSA-N;139.24;1.78;;;;;DOPC;MDCG;27;1;"MARTINI bead: SNd_SN0";;;;;;;1.17;;-4.99;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM427006;MM427006;N#CC1CC1C(C=O)CF;OSGJAGRDJJXECU-UHFFFAOYSA-N;141.15;0.93;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_SN0";;;;;;;0.34;;-1.53;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM427007;MM427007;NCC1(CONC=O)CO1;RCSIPGWFXQGSFE-UHFFFAOYSA-N;146.15;-1.61;;;;;DOPC;MDCG;27;1;"MARTINI bead: SP2_P4";;;;;;;-2.29;;-7.4;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM427008;MM427008;C=CCc1ccn(N=C)n1;OAMWHKAIJVWKBG-UHFFFAOYSA-N;135.17;1.08;;;;;DOPC;MDCG;27;0;"MARTINI bead: SN0_SP1";;;;;;;0.34;;-1.53;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM427009;MM427009;CCC12CC1C(N)C(C)N2;DVANNMIEVLMRRA-UHFFFAOYSA-N;140.23;0.47;;;;;DOPC;MDCG;27;1;"MARTINI bead: SNd_SP2";;;;;;;-0.24;;-6.49;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM427010;MM427010;C=CC(NC)C1CC1C#N;HKGSYEWYMSKFTA-UHFFFAOYSA-N;136.2;0.92;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_SN0";;;;;;;1.17;;-2.63;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM427011;MM427011;COC(C=CC=NO)CN;IYJIYDUWSJWIPO-UHFFFAOYSA-N;144.17;-0.02;;;;;DOPC;MDCG;27;1;"MARTINI bead: P2_Nda";;;;;;;-0.24;;-5.31;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM427012;MM427012;CCC1=CC=C(C(C)N)C1;SAGZNDNSIISPNA-UHFFFAOYSA-N;137.23;2;;;;;DOPC;MDCG;27;1;"MARTINI bead: SC3_SNd";;;;;;;2.57;;-1.19;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM427013;MM427013;CC=COC=COC=NN;RQRPGTQBQQPRKH-UHFFFAOYSA-N;142.16;0.93;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_Nda";;;;;;;0.87;;-1.99;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM427014;MM427014;N=CNOCC1(CO)CO1;TYZDKJYLHHDKPB-UHFFFAOYSA-N;146.15;-1.12;;;;;DOPC;MDCG;27;1;"MARTINI bead: SP2_P3";;;;;;;-2.2;;-6.95;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM427015;MM427015;CCC12CC1C(F)C(C)N2;WPIUARQVFXCKES-UHFFFAOYSA-N;143.21;1.48;;;;;DOPC;MDCG;27;1;"MARTINI bead: SNd_SNa";;;;;;;0.87;;-4.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM427016;MM427016;C#CC(=O)C1CN1C;PAIBVYQFSPBTFT-UHFFFAOYSA-N;109.13;-0.5;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP1_P1";;;;;;;-0.79;;-3.13;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM427017;MM427017;CNC(C#N)C1CC1C#N;SSHQYSWASLTZFR-UHFFFAOYSA-N;135.17;0.26;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_SN0";;;;;;;0.06;;-2.21;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM427018;MM427018;COC1=CC=C(C(C)C)C1;UZCDJRQCKIHQES-UHFFFAOYSA-N;138.21;2.5;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC5_SC3";;;;;;;3.34;;0.48;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM427019;MM427019;C#CCCCC1(CC)CC1;AXRDTFONYCPBAB-UHFFFAOYSA-N;136.24;2.98;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC3_C3";;;;;;;4.27;;0.2;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM427020;MM427020;C=COc1ccn(C=C)n1;FJDBSWPHNCNQQP-UHFFFAOYSA-N;136.15;1.51;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNa_SNa";;;;;;;0.87;;-2.22;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM427021;MM427021;COC(C=CC=NO)CO;FGAYVACPYRHUGZ-UHFFFAOYSA-N;145.16;0.01;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_Nda";;;;;;;-0.24;;-3.31;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM427022;MM427022;CNC12CC1C(C)N(C)C2;PCNFVXCRSKHNMD-UHFFFAOYSA-N;140.23;0.3;;;;;DOPC;MDCG;27;1;"MARTINI bead: SNd_SNd";;;;;;;0.87;;-4.44;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM427023;MM427023;C=COc1ccn(C=N)n1;VKWBQBGAUFYQBW-UHFFFAOYSA-N;137.14;0.86;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNa_SP1";;;;;;;0.04;;-2.54;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM427024;MM427024;COC1=CC=C(C(C)N)C1;VQPMWMHVJWOLNT-UHFFFAOYSA-N;139.2;1.19;;;;;DOPC;MDCG;27;1;"MARTINI bead: SC5_SNd";;;;;;;1.64;;-2.35;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM427025;MM427025;C=CC1CC1C(C=C)OC;SVFVKELYLKLUBP-UHFFFAOYSA-N;138.21;2.01;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_SC4";;;;;;;2.2;;0.34;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM427026;MM427026;C#CCCCC1(CN)CC1;WYVMVGVOQRPXBM-UHFFFAOYSA-N;137.23;1.53;;;;;DOPC;MDCG;27;1;"MARTINI bead: SNd_C3";;;;;;;2.57;;-1.21;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM427027;MM427027;CC=CC=CC(OC)OC;AHPWAHONMBZZRZ-UHFFFAOYSA-N;142.2;1.74;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_C1";;;;;;;2.08;;0.48;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM427028;MM427028;CCc1ccc(C(C)C)[nH]1;LGSFUHPSKVXCMP-UHFFFAOYSA-N;137.23;2.7;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC5_SC4";;;;;;;2.97;;0.45;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM427029;MM427029;C=COc1ccn(C=O)n1;PSNFDAXWBABITQ-UHFFFAOYSA-N;138.13;0.44;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNa_SP1";;;;;;;0.04;;-2.54;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM427030;MM427030;COC12CC1C(C)N(C)C2;LHRRRBXDCBEPFU-UHFFFAOYSA-N;141.21;0.73;;;;;DOPC;MDCG;27;1;"MARTINI bead: SNa_SNd";;;;;;;0.87;;-3.86;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM427031;MM427031;C=Cc1oc(=NN)oc1N;MFFRASFNRGKQNI-UHFFFAOYSA-N;141.13;-0.13;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP2_N0";;;;;;;0.06;;-2.21;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM427032;MM427032;C=CC(OC)C1CC1C=O;IDLKYJKEZKQZFN-UHFFFAOYSA-N;140.18;1.02;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_SNa";;;;;;;0.87;;-2.22;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM427033;MM427033;CC=NN=CC(CC)CC;RVSCZWNIBBVIGV-UHFFFAOYSA-N;140.23;2.5;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1_P1";;;;;;;2.08;;0.48;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM427034;MM427034;CC(C)c1ccc(CN)[nH]1;NZAWDQGJJRSWSF-UHFFFAOYSA-N;138.21;1.6;;;;;DOPC;MDCG;27;1;"MARTINI bead: SC4_SP1";;;;;;;1.37;;-1.41;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM427035;MM427035;C=COc1ccn(N=C)n1;MJCRPUOKYWRSLZ-UHFFFAOYSA-N;137.14;0.87;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNa_SP1";;;;;;;0.04;;-2.54;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM427036;MM427036;C#CCCCC1(CF)CC1;MSRISUIEMYZKBH-UHFFFAOYSA-N;140.2;2.54;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC5_C5";;;;;;;2.41;;0.64;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM427037;MM427037;CCC12CC(C)C(N)C1N2;WIMVCYKDZZOKNP-UHFFFAOYSA-N;140.23;0.47;;;;;DOPC;MDCG;27;1;"MARTINI bead: SNd_SNd";;;;;;;0.87;;-4.39;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM427038;MM427038;C=CC(OC)C1CC1C#N;RICHQWGMUKENKV-UHFFFAOYSA-N;137.18;1.35;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_SN0";;;;;;;1.17;;-1.18;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM427039;MM427039;CC=NN=CC(CC)CN;YOQXIFSNZUQVGU-UHFFFAOYSA-N;141.22;1.05;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_C5";;;;;;;1.64;;-2.32;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM427040;MM427040;CC(C)c1ccc(CF)[nH]1;ITFDZVIUEAWAGP-UHFFFAOYSA-N;141.19;2.61;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC4_SNda";;;;;;;2.2;;0.49;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM427041;MM427041;C=CCc1cnn(C=C)n1;RPTHXVGNRQZFMK-UHFFFAOYSA-N;135.17;1.11;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP1_SNa";;;;;;;0.04;;-2.54;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM427042;MM427042;C#CCNCC1(CN)CC1;GIBNTLDJQLRWIV-UHFFFAOYSA-N;138.21;-0.05;;;;;DOPC;MDCG;27;1;"MARTINI bead: SNd_P2";;;;;;;-0.24;;-5.41;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM427043;MM427043;CC1CC2(CN)NC2C1O;SROVZLNPTOQGCJ-UHFFFAOYSA-N;142.2;-0.94;;;;;DOPC;MDCG;27;1;"MARTINI bead: SP2_SNda";;;;;;;-0.24;;-5;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM427044;MM427044;COC(C#N)C1CC1C#N;BNGKDSVYKISFDY-UHFFFAOYSA-N;136.15;0.68;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_SN0";;;;;;;0.34;;-1.53;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM427045;MM427045;CC=NN=CC(CC)CO;RCVNWQXKJVPNQO-UHFFFAOYSA-N;142.2;1.08;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda_C5";;;;;;;1.64;;0.05;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM427046;MM427046;CCc1ccc(C(C)N)[nH]1;OMBNKBOAOIXONF-UHFFFAOYSA-N;138.21;1.6;;;;;DOPC;MDCG;27;1;"MARTINI bead: SC5_SNd";;;;;;;1.64;;-1.61;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM427047;MM427047;C=Cn1ncc(CC#N)n1;PGTCMDITEYAVES-UHFFFAOYSA-N;134.14;0.44;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNa_SP1";;;;;;;0.04;;-2.54;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM427048;MM427048;C#CCNCC1(CF)CC1;KQZPDJIGILYARQ-UHFFFAOYSA-N;141.19;0.96;;;;;DOPC;MDCG;27;1;"MARTINI bead: SC5_P2";;;;;;;0.54;;-2.63;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM427049;MM427049;CCC12CC(C)C(F)C1N2;DVWVNBFTLMFNKS-UHFFFAOYSA-N;143.21;1.48;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNd_SC4";;;;;;;2.2;;0.34;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM427050;MM427050;C=CC1CC1N(C=N)CC;GNQQGCMTWADWQZ-UHFFFAOYSA-N;138.21;1.49;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_SC4";;;;;;;2.2;;-3.29;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM427051;MM427051;CC=NN=CC(CC)CF;IACCJWHTWDZDFY-UHFFFAOYSA-N;144.19;2.06;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4_C5";;;;;;;2.97;;0.45;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM427052;MM427052;CC(N)c1ccc(CN)[nH]1;FLPPXHBEYHOEBJ-UHFFFAOYSA-N;139.2;0.49;;;;;DOPC;MDCG;27;1;"MARTINI bead: SNd_SP1";;;;;;;0.04;;-4.49;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM427053;MM427053;C=CCc1cnn(C=N)n1;JYWFCKYIRCOOAD-UHFFFAOYSA-N;136.16;0.46;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP1_SP2";;;;;;;-1.06;;-3.82;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM427054;MM427054;C=CC1CC1N(CC)N=C;BWFVCJLFYYYCKW-UHFFFAOYSA-N;138.21;1.5;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_SC4";;;;;;;1.37;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM427055;MM427055;CCC12CC(N)C(F)C1N2;KREKPESBEIIZHA-UHFFFAOYSA-N;144.19;0.18;;;;;DOPC;MDCG;27;1;"MARTINI bead: SNd_SNda";;;;;;;0.87;;-3.33;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM427056;MM427056;C#CCOCC1(CC)CC1;FUMOACFJQCLVKW-UHFFFAOYSA-N;138.21;1.83;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC3_Na";;;;;;;2.57;;0.45;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM427057;MM427057;CC=NN=CC(CC)OC;PVQILENWJCSAQA-UHFFFAOYSA-N;142.2;1.49;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_C5";;;;;;;1.64;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM427058;MM427058;CCc1ccc(C(C)O)[nH]1;VQSFLTJKTWQFEY-UHFFFAOYSA-N;139.2;1.63;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC5_SNda";;;;;;;1.64;;0.05;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM427059;MM427059;N#CCc1cnn(C=N)n1;CTBAJKNOGRHOBR-UHFFFAOYSA-N;135.13;-0.2;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP2_SP1";;;;;;;-1.06;;-3.82;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM427060;MM427060;C=CC1CC1N(C=N)NC;SGWANNNNLKJTSF-UHFFFAOYSA-N;139.2;0.6;;;;;DOPC;MDCG;27;1;"MARTINI bead: P4_SC4";;;;;;;0.15;;-4.22;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM427061;MM427061;CCC12CC(C)C(C)C1O2;AUVZEZPQAMJONJ-UHFFFAOYSA-N;140.23;2.21;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC5_SC2";;;;;;;3.6;;0.34;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM427062;MM427062;C#CCOCC1(CN)CC1;JBZBZFSJYYWNNM-UHFFFAOYSA-N;139.2;0.38;;;;;DOPC;MDCG;27;1;"MARTINI bead: SNd_Na";;;;;;;0.87;;-4.32;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM427063;MM427063;CC=NN=CC(CN)OC;CYTFGBPNORJQBQ-UHFFFAOYSA-N;143.19;0.04;;;;;DOPC;MDCG;27;1;"MARTINI bead: P2_C5";;;;;;;0.54;;-2.77;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM427064;MM427064;COc1ccc(C(C)C)[nH]1;UWIVKZAAROGHJY-UHFFFAOYSA-N;139.2;2.15;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNda_SC4";;;;;;;2.2;;0.49;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM427065;MM427065;C=CCc1cnn(C=O)n1;TUXGSWAPCRSLAH-UHFFFAOYSA-N;137.14;0.04;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP1_SP2";;;;;;;-1.06;;-3.82;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM427066;MM427066;C=CC1CC1N(C=O)NC;SDJSRXYYFYTZMO-UHFFFAOYSA-N;140.19;0.15;;;;;DOPC;MDCG;27;0;"MARTINI bead: P3_SC4";;;;;;;0.23;;-1.03;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM427067;MM427067;CCC12CC(C)C(N)C1O2;QNCUHBUDLYNMQE-UHFFFAOYSA-N;141.21;0.9;;;;;DOPC;MDCG;27;1;"MARTINI bead: SC5_SNd";;;;;;;1.64;;-2.24;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM427068;MM427068;C#CCOCC1(CO)CC1;KXQBCJBKYKHNFR-UHFFFAOYSA-N;140.18;0.41;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNda_Na";;;;;;;0.87;;-1.99;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM427069;MM427069;CC=NN=CC(CO)OC;HLINUCRUPPJRBC-UHFFFAOYSA-N;144.17;0.07;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_C5";;;;;;;0.54;;-1.09;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM427070;MM427070;COc1ccc(C(C)N)[nH]1;HBUTUHJNCCBTDU-UHFFFAOYSA-N;140.19;1.04;;;;;DOPC;MDCG;27;1;"MARTINI bead: SNda_SNd";;;;;;;0.87;;-3.6;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM427071;MM427071;N#CCc1cnn(C=O)n1;TVEMMGDXYCBPPR-UHFFFAOYSA-N;136.11;-0.62;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP2_SP1";;;;;;;-1.06;;-3.82;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM427072;MM427072;CNN(C=N)C1CC1C=O;YXOUICRGLNPYPL-UHFFFAOYSA-N;141.17;-0.38;;;;;DOPC;MDCG;27;1;"MARTINI bead: P4_SNa";;;;;;;-1.19;;-6.73;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM427073;MM427073;CC1CC2(CN)OC2C1N;VJLRRGXLAVPIAF-UHFFFAOYSA-N;142.2;-0.55;;;;;DOPC;MDCG;27;1;"MARTINI bead: SP1_SNd";;;;;;;0.04;;-5.14;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM427074;MM427074;C#CCOCC1(CF)CC1;SFEBBJDWRFQOOO-UHFFFAOYSA-N;142.17;1.39;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC5_Na";;;;;;;1.64;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM427075;MM427075;COc1ccc(C(C)O)[nH]1;OEWFUPOQSHAZLQ-UHFFFAOYSA-N;141.17;1.08;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNda_SNda";;;;;;;0.87;;-2.07;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM427076;MM427076;CC=NN=CC(CF)OC;WXXPYMRIFGYXMK-UHFFFAOYSA-N;146.17;1.05;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_C5";;;;;;;1.64;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM427077;MM427077;CNN(C=O)C1CC1C#N;AJQGOQXFKDBWDA-UHFFFAOYSA-N;139.16;-0.51;;;;;DOPC;MDCG;27;0;"MARTINI bead: P3_SN0";;;;;;;-0.8;;-2.99;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM427078;MM427078;C=COc1cnn(C=N)n1;IBAJYOZXIOUBQZ-UHFFFAOYSA-N;138.13;0.26;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP1_SP2";;;;;;;-1.06;;-3.82;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM427079;MM427079;C#CCCCC1(NC)CC1;VHOLESJRBXKINU-UHFFFAOYSA-N;137.23;1.54;;;;;DOPC;MDCG;27;1;"MARTINI bead: SNd_C3";;;;;;;2.57;;-1.61;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM427080;MM427080;CCC12CC(C)C(O)C1O2;AKIOTLLQYOAKQS-UHFFFAOYSA-N;142.2;0.93;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC5_SNda";;;;;;;1.64;;0.05;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM427081;MM427081;Cn1oc(=NN)c(=N)n1N;WLYFZUKDFAQEBA-UHFFFAOYSA-N;144.14;-2.61;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP2_SP2";;;;;;;-1.34;;-4.31;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM427082;MM427082;CC=NN=CC(OC)OC;CFQHOSYMNZWJMD-UHFFFAOYSA-N;144.17;0.68;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_C5";;;;;;;0.81;;-0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM427083;MM427083;C=COc1cnn(C=O)n1;VXZZGAWWYXLYRR-UHFFFAOYSA-N;139.11;-0.16;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP1_SP2";;;;;;;-1.06;;-3.82;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM427084;MM427084;C=CC1CC1N(C=O)OC;AWMWNGQKKRZQTR-UHFFFAOYSA-N;141.17;0.58;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_SC4";;;;;;;1.09;;-0.38;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM427085;MM427085;CCC12CC(C)C(C)N1C2;OBISYFVDWMLUJX-UHFFFAOYSA-N;139.24;1.88;;;;;DOPC;MDCG;27;1;"MARTINI bead: SN0_SNd";;;;;;;1.17;;-2.3;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM427086;MM427086;C#CCNCC1(NC)CC1;KVEFOXVSLVXYPW-UHFFFAOYSA-N;138.21;-0.04;;;;;DOPC;MDCG;27;1;"MARTINI bead: SNd_P2";;;;;;;-0.24;;-5.14;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM427087;MM427087;Cn1oc(=NN)c(F)c1F;RQDIINXWPKNBMG-UHFFFAOYSA-N;149.1;-0.33;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP2_SNa";;;;;;;-0.24;;-3.24;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM427088;MM427088;CCN(C=NC=NC)CC;IDRMTIFCRRPELD-UHFFFAOYSA-N;141.22;1.01;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_N0";;;;;;;1.17;;-2.14;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM427089;MM427089;C=CCc1ncn(C=C)n1;BHRGARIINBGNNA-UHFFFAOYSA-N;135.17;1.11;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNa_SNa";;;;;;;0.87;;-2.22;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM427090;MM427090;CON(C=O)C1CC1C#N;RVTYNJYJEPOGGJ-UHFFFAOYSA-N;140.14;-0.08;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_SN0";;;;;;;0.06;;-2.21;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM427091;MM427091;CC1C(N)CC2(CN)CN12;RGTNNZKMIQRUOH-UHFFFAOYSA-N;141.22;-0.88;;;;;DOPC;MDCG;27;1;"MARTINI bead: SP2_SP1";;;;;;;-1.06;;-6.22;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM427092;MM427092;C#CCOCC1(NC)CC1;FLYDNYVEAXXZAV-UHFFFAOYSA-N;139.2;0.39;;;;;DOPC;MDCG;27;1;"MARTINI bead: SNd_Na";;;;;;;0.87;;-3.94;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM427093;MM427093;CC=NN=CN(CC)CC;VIGRTELGFWMDAA-UHFFFAOYSA-N;141.22;1.36;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nd_C5";;;;;;;1.64;;0.02;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM427094;MM427094;CNc1ncc(C(C)C)[nH]1;UBTCNHGWVFIJMQ-UHFFFAOYSA-N;139.2;1.57;;;;;DOPC;MDCG;27;1;"MARTINI bead: SNda_SNd";;;;;;;0.87;;-2.95;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM427095;MM427095;C=Cn1cnc(CC#N)n1;WAMABXZPFMRCPW-UHFFFAOYSA-N;134.14;0.44;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNa_SP1";;;;;;;0.04;;-2.54;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM427096;MM427096;C=CC1NC1C(C#N)CC;FWTTWMVIXYLBGW-UHFFFAOYSA-N;136.2;1.06;;;;;DOPC;MDCG;27;0;"MARTINI bead: N0_SP1";;;;;;;0.34;;-1.53;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM427097;MM427097;C=CC12CC(C)C(C)C1C2;QNRDMWKQULMXNI-UHFFFAOYSA-N;136.24;2.85;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC4_SC2";;;;;;;4.16;;0.44;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM427098;MM427098;C#CCCCC1(OC)CC1;HMDCKCYOXZPSGT-UHFFFAOYSA-N;138.21;1.97;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNa_C5";;;;;;;1.64;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM427099;MM427099;CCN(C=NC=NO)NC;WLMULAWPPGSJSB-UHFFFAOYSA-N;144.18;-0.11;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_P1";;;;;;;-1.06;;-3.82;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM427100;MM427100;CNc1ncc(C(C)N)[nH]1;ACLSXNCLVQPKMS-UHFFFAOYSA-N;140.19;0.47;;;;;DOPC;MDCG;27;1;"MARTINI bead: SNda_SP1";;;;;;;0.04;;-4.26;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM427101;MM427101;C=CCc1ncn(C=N)n1;DLMIFHYIDWCJKJ-UHFFFAOYSA-N;136.16;0.46;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNa_SP2";;;;;;;-0.24;;-3.24;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM427102;MM427102;C=CC12CC(N)C(C)C1C2;GHHUTGIOWLMALS-UHFFFAOYSA-N;137.23;1.55;;;;;DOPC;MDCG;27;1;"MARTINI bead: SNd_SC4";;;;;;;2.2;;-2.47;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM427103;MM427103;C=C1C=CC(C)(O)C1(C)C;CMPKTCVEYPWYFF-UHFFFAOYSA-N;138.21;1.89;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNda_SC1";;;;;;;2.91;;0.57;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM427104;MM427104;C#CCNCC1(OC)CC1;HBRXYTTVJIMZCK-UHFFFAOYSA-N;139.2;0.39;;;;;DOPC;MDCG;27;1;"MARTINI bead: SNa_P2";;;;;;;-0.24;;-4.57;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM427105;MM427105;NN=c1on(N)c(F)c1F;NVMIXIZBTGOWMF-UHFFFAOYSA-N;150.09;-1.15;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP2_SNa";;;;;;;-0.24;;-3.24;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM427106;MM427106;CC=NN=CN(CC)OC;RYLQQZNKTBKYMM-UHFFFAOYSA-N;143.19;0.9;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_C5";;;;;;;1.64;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM427107;MM427107;N#CCc1ncn(C=N)n1;MMYJIYMTOPNLLL-UHFFFAOYSA-N;135.13;-0.2;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP2_SP1";;;;;;;-1.06;;-3.82;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM427108;MM427108;C#CC(C=NN)=NOC;TUMHZOIWEWAQHM-UHFFFAOYSA-N;125.13;-0.43;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_P1";;;;;;;0.04;;-2.54;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM427109;MM427109;C=CC(CC)C1NC1C#N;QEGNZEGLJPDOOW-UHFFFAOYSA-N;136.2;1.06;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1_SP2";;;;;;;1.8;;0.4;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM427110;MM427110;C#CCOCC1(OC)CC1;BDSWPOYQVRDLCT-UHFFFAOYSA-N;140.18;0.82;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNa_Na";;;;;;;0.87;;-2.22;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM427111;MM427111;COc1ncc(C(C)N)[nH]1;SNNFXXQFNKMZCR-UHFFFAOYSA-N;141.17;0.44;;;;;DOPC;MDCG;27;1;"MARTINI bead: SNda_SP1";;;;;;;0.04;;-4.05;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM427112;MM427112;C=CC(C=CC=CC)CC;SPRBGOYADLBQQF-UHFFFAOYSA-N;136.24;3.33;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1_C2";;;;;;;4.87;;0.53;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM427113;MM427113;C=CCc1ncn(C=O)n1;MHYSFBXXRULRCE-UHFFFAOYSA-N;137.14;0.04;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNa_SP2";;;;;;;-0.24;;-3.24;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM427114;MM427114;C=CC12CC(N)C(N)C1C2;NIIXSNOZPHUXPT-UHFFFAOYSA-N;138.21;0.24;;;;;DOPC;MDCG;27;1;"MARTINI bead: SC4_SP1";;;;;;;1.37;;-2.51;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM427115;MM427115;C=CC=NNCCC(C)=O;NRHNWUGNDUUZAG-UHFFFAOYSA-N;140.19;0.73;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_Nd";;;;;;;0.87;;-1.88;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM427116;MM427116;C#CCCNC1(CN)CC1;FMBYIIBUJXRAEZ-UHFFFAOYSA-N;138.21;0.09;;;;;DOPC;MDCG;27;1;"MARTINI bead: SNd_Nd";;;;;;;0.87;;-4.44;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM427117;MM427117;Cn1ccc(=O)c(=NN)o1;PIINGWGNZKJQFS-UHFFFAOYSA-N;141.13;-1.25;;;;;DOPC;MDCG;27;0;"MARTINI bead: SN0_SP2";;;;;;;0.06;;-2.21;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM427118;MM427118;C=CC(C=CC=CF)CC;GCRMVEXMPREMEC-UHFFFAOYSA-N;140.2;3.24;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1_C4";;;;;;;4.24;;0.42;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM427119;MM427119;N#CCc1ncn(C=O)n1;IKDOKKYJHMSRBK-UHFFFAOYSA-N;136.11;-0.62;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP2_SP1";;;;;;;-1.06;;-3.82;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM427120;MM427120;C=NNC(=NC)C(C)F;NLEGPTIOFRQVMO-UHFFFAOYSA-N;131.15;0.58;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_C5";;;;;;;0.81;;-0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM427121;MM427121;C=CC=NNC(=N)OCC;MFHNJHFFMQNVKW-UHFFFAOYSA-N;141.17;0.72;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda_Nd";;;;;;;0.87;;-1.92;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM427122;MM427122;C#CCCOC1(CC)CC1;MQHWTIOQBWLDOU-UHFFFAOYSA-N;138.21;1.97;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC3_Na";;;;;;;2.57;;0.45;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM427123;MM427123;CC=CC=CC(C=O)CC;SLLZIYFTYYYGDU-UHFFFAOYSA-N;138.21;2.34;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_C2";;;;;;;3.6;;0.34;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM427124;MM427124;NN=c1on(N)ccc1=O;UXFABMKEAZFVSD-UHFFFAOYSA-N;142.12;-2.07;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP2_SP1";;;;;;;-1.06;;-3.82;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM427125;MM427125;C=CCc1ncn(N=C)n1;SJMZSKVSILQACB-UHFFFAOYSA-N;136.16;0.47;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNa_SP2";;;;;;;-0.24;;-3.24;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM427126;MM427126;CC1CC2(C=O)CC2C1F;SMTQGKRTHJFSSU-UHFFFAOYSA-N;142.17;1.57;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNa_SC4";;;;;;;2.2;;0.34;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM427127;MM427127;C=C1CCC(O)(CC)C1=C;YTPMXTRHICHJCJ-UHFFFAOYSA-N;138.21;2.03;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC5_SC4";;;;;;;2.97;;0.45;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM427128;MM427128;C#CCCOC1(CN)CC1;AQULPUBYZNYXRO-UHFFFAOYSA-N;139.2;0.52;;;;;DOPC;MDCG;27;1;"MARTINI bead: SP2_C5";;;;;;;0.54;;-3.2;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM427129;MM427129;CC=CC=CC(C#N)CC;IBHMZKTUKAFPNU-UHFFFAOYSA-N;135.21;2.67;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_C2";;;;;;;3.6;;0.34;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM427130;MM427130;NN=COC=COC=CF;RPXNZYJYMLHVHY-UHFFFAOYSA-N;146.12;0.83;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_C5";;;;;;;0.81;;-0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM427131;MM427131;CCc1ccc(C(C)C)o1;YFYMBUGFDZCUGU-UHFFFAOYSA-N;138.21;2.97;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC4_SC4";;;;;;;3.53;;0.53;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM427132;MM427132;C=CC12CC(N)C(F)C1C2;YUQSMPMWSTUWFF-UHFFFAOYSA-N;141.19;1.25;;;;;DOPC;MDCG;27;1;"MARTINI bead: SC4_SNda";;;;;;;2.2;;-1.03;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM427133;MM427133;C=NNCC(F)C=NNC;LSSHPORLHCEWMG-UHFFFAOYSA-N;146.17;-0.27;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda_P2";;;;;;;-0.24;;-3.31;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM427134;MM427134;C#CCCOC1(CO)CC1;GXJFPZMVFUYPLU-UHFFFAOYSA-N;140.18;0.55;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP2_C5";;;;;;;0.54;;-1.09;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM427135;MM427135;CCC(C=O)C=CC=CF;GQKTZDPMOGJVOB-UHFFFAOYSA-N;142.17;2.25;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_C4";;;;;;;2.97;;0.45;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM427136;MM427136;C=CCc1nnn(C=C)n1;UNFARPZDSVPAHL-UHFFFAOYSA-N;136.16;0.5;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNa_SP1";;;;;;;0.04;;-2.54;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM427137;MM427137;CC(C)c1ccc(CO)o1;CDYCXWPKGWKYFC-UHFFFAOYSA-N;140.18;1.9;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC4_SNda";;;;;;;2.2;;0.49;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM427138;MM427138;C=CC12CC1C(C)C(C)N2;GDASBBBKRUZBEN-UHFFFAOYSA-N;137.23;1.56;;;;;DOPC;MDCG;27;1;"MARTINI bead: SNd_SN0";;;;;;;1.17;;-4.21;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM427139;MM427139;C=NN=CC(=O)CCCF;FLGNYCNOWTVIST-UHFFFAOYSA-N;144.15;0.99;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_Na";;;;;;;1.64;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM427140;MM427140;C#CCCOC1(CF)CC1;QAXWXEFEVLWPOS-UHFFFAOYSA-N;142.17;1.53;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP1_C5";;;;;;;0.81;;-0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM427141;MM427141;CCC(C#N)C=CC=CF;OINSSPSIEHDYMQ-UHFFFAOYSA-N;139.17;2.58;;;;;DOPC;MDCG;27;0;"MARTINI bead: N0_C4";;;;;;;2.5;;0.44;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM427142;MM427142;CC(C)c1ccc(CF)o1;HMIRPQFWLQXRRM-UHFFFAOYSA-N;142.17;2.87;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC4_SC5";;;;;;;2.97;;0.45;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM427143;MM427143;C=CC12CC1C(N)C(C)N2;OABVUDDQQVUCMG-UHFFFAOYSA-N;138.21;0.25;;;;;DOPC;MDCG;27;1;"MARTINI bead: SNd_SP2";;;;;;;-0.24;;-5.87;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM427144;MM427144;C=Cn1nnc(CC#N)n1;CNSKTHINXZUIGJ-UHFFFAOYSA-N;135.13;-0.16;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP1_SP1";;;;;;;-0.79;;-3.13;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM427145;MM427145;C#CCCOC1(OC)CC1;TVUDQOIJQUTRPG-UHFFFAOYSA-N;140.18;1.16;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNa_Na";;;;;;;0.87;;-2.22;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM427146;MM427146;N#CC(CO)C1NC1C#N;BKOQZWBIHCGMQR-UHFFFAOYSA-N;137.14;-1.02;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_SP2";;;;;;;-1.34;;-4.31;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM427147;MM427147;C=CC(C=CC=CC)CN;MSJWRKXJIAQHKE-UHFFFAOYSA-N;137.23;1.88;;;;;DOPC;MDCG;27;1;"MARTINI bead: C2_Nd";;;;;;;2.83;;-0.69;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM427148;MM427148;CNc1ccc(C(C)C)o1;UYKPNGVJZNJASO-UHFFFAOYSA-N;139.2;2.44;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNd_SC4";;;;;;;2.2;;0.32;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM427149;MM427149;C=CC12CC1C(O)C(C)N2;NXMORKYVOPSZHL-UHFFFAOYSA-N;139.2;0.28;;;;;DOPC;MDCG;27;1;"MARTINI bead: SNd_SP1";;;;;;;0.04;;-4.96;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM427150;MM427150;C=CCc1nnn(C=N)n1;CSSYPUKLTTWIHW-UHFFFAOYSA-N;137.15;-0.14;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNa_SP2";;;;;;;-0.24;;-3.24;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM427151;MM427151;N#CCNC(=N)C(=O)C=O;OPDKBYZVGJCMGJ-UHFFFAOYSA-N;139.11;-1.16;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_Na";;;;;;;-0.24;;-3.24;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM427152;MM427152;C#CCCCC1(CN)CN1;IRIBAXVQLKXGGH-UHFFFAOYSA-N;138.21;0.09;;;;;DOPC;MDCG;27;1;"MARTINI bead: SP2_C3";;;;;;;1.46;;-2.02;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM427153;MM427153;COc1ccc(C(C)C)o1;OWEBEPNVPVKNHN-UHFFFAOYSA-N;140.18;2.41;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNa_SC4";;;;;;;2.2;;0.34;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM427154;MM427154;C=Cn1nc(N)c(=O)o1;HARQEKQDAFHUKR-UHFFFAOYSA-N;127.1;-0.48;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP2_SP2";;;;;;;-1.34;;-4.31;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM427155;MM427155;C=CC(C=CC=CF)CN;WSMCMAXSSLZYST-UHFFFAOYSA-N;141.19;1.79;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_C4";;;;;;;2.2;;-2.16;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM427156;MM427156;N#CCc1nnn(C=N)n1;KPMPHOFZQOHTKJ-UHFFFAOYSA-N;136.12;-0.81;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP2_SP1";;;;;;;-1.06;;-3.82;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM427157;MM427157;C=CC(NC)C1NC1C=O;GDNPTEFVYWJUPL-UHFFFAOYSA-N;140.19;-0.7;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_SP2";;;;;;;-0.24;;-4.4;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM427158;MM427158;C#CCNCC1(CC)CN1;UNXMDWYWVNKOAI-UHFFFAOYSA-N;138.21;-0.04;;;;;DOPC;MDCG;27;1;"MARTINI bead: SNd_P2";;;;;;;-0.24;;-4.28;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM427159;MM427159;CCc1ncc(C(C)C)o1;GXUXKIYDAFSCED-UHFFFAOYSA-N;139.2;2.36;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNa_SN0";;;;;;;1.17;;-1.18;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM427160;MM427160;C=CC12CC1C(C)N(C)C2;LWVRGXMFNXVKPY-UHFFFAOYSA-N;137.23;1.51;;;;;DOPC;MDCG;27;1;"MARTINI bead: SNd_SP1";;;;;;;0.04;;-5.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM427161;MM427161;CNN=COC(=O)C=O;FSSNBXWUWXMKIR-UHFFFAOYSA-N;130.1;-1.11;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_Na";;;;;;;-0.24;;-3.24;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM427162;MM427162;C=CCc1nnn(C=O)n1;XNKNFWJYVLQCOX-UHFFFAOYSA-N;138.13;-0.56;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNa_SP2";;;;;;;-0.24;;-3.24;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM427163;MM427163;CNC(C#N)C1NC1C#N;AGCFKCHIOFTCFC-UHFFFAOYSA-N;136.16;-1.04;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_SP2";;;;;;;-1.34;;-4.31;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM427164;MM427164;C#CCNCC1(CN)CN1;YDIOBMNNZKHSRE-UHFFFAOYSA-N;139.2;-1.49;;;;;DOPC;MDCG;27;1;"MARTINI bead: SP2_P2";;;;;;;-1.34;;-6.01;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM427165;MM427165;CC(C)c1cnc(CO)o1;YXYXTHFCLKIRBF-UHFFFAOYSA-N;141.17;1.29;;;;;DOPC;MDCG;27;0;"MARTINI bead: SN0_SP1";;;;;;;0.34;;-1.53;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM427166;MM427166;C=CC12CC(C)N(C)C1C2;CHORATFJIIOXNJ-UHFFFAOYSA-N;137.23;1.66;;;;;DOPC;MDCG;27;1;"MARTINI bead: SP1_SNd";;;;;;;0.04;;-4.91;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM427167;MM427167;N#CCc1nnn(C=O)n1;CDZFDUJKUIRHEO-UHFFFAOYSA-N;137.1;-1.22;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP2_SP1";;;;;;;-1.06;;-3.82;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM427168;MM427168;CON=C(N)C(C)C=O;DRFGFBHFQAIFPN-UHFFFAOYSA-N;130.15;-0.26;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_Na";;;;;;;-0.24;;-3.24;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM427169;MM427169;C=CC1NC1C(C=C)OC;UMYUEIPLNAJYJI-UHFFFAOYSA-N;139.2;0.71;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_SP1";;;;;;;0.04;;-2.54;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM427170;MM427170;C#CCOCC1(CN)CN1;HKBFCFIQCYFWQQ-UHFFFAOYSA-N;140.19;-1.06;;;;;DOPC;MDCG;27;1;"MARTINI bead: SP2_Na";;;;;;;-0.24;;-5.16;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM427171;MM427171;COc1ncc(C(C)C)o1;GAYBJKGNSZUCIO-UHFFFAOYSA-N;141.17;1.81;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNa_SN0";;;;;;;1.17;;-1.18;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM427172;MM427172;CC=CC=CC(C#N)CO;VUFORYYXXAFLIG-UHFFFAOYSA-N;137.18;1.25;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1_P2";;;;;;;1.8;;0.4;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM427173;MM427173;C=CC12CC(C)C(N)C1N2;IANLYJWKFKEXDK-UHFFFAOYSA-N;138.21;0.25;;;;;DOPC;MDCG;27;1;"MARTINI bead: SNd_SNd";;;;;;;0.87;;-4.38;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM427174;MM427174;C#CCC1=CC(C=C)C=C1;UTTSPLXYKCBGEN-UHFFFAOYSA-N;130.19;2.31;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC4_SC4";;;;;;;3.53;;0.53;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM427175;MM427175;CC=NNC(=N)C(C)OC;GYTZAHOYYGEWAB-UHFFFAOYSA-N;143.19;0.59;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda_Nd";;;;;;;0.87;;-1.92;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM427176;MM427176;C=Cc1oc(=NN)oc1F;GPDHHOJHUSRUNC-UHFFFAOYSA-N;144.11;0.43;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP1_N0";;;;;;;0.34;;-1.53;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM427177;MM427177;CCc1cnc(C(C)C)o1;DQQKCSGEQUGFAC-UHFFFAOYSA-N;139.2;2.36;;;;;DOPC;MDCG;27;0;"MARTINI bead: SN0_SC5";;;;;;;1.94;;0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM427178;MM427178;N#CC(C=CC=CF)CO;SKFGXHZROOJCNC-UHFFFAOYSA-N;141.15;1.16;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_C4";;;;;;;1.09;;-0.38;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM427179;MM427179;Cc1cc(NN)nn1N;VTCLTAZUWFNDLF-UHFFFAOYSA-N;127.15;-0.81;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP1_SP1";;;;;;;-0.79;;-3.13;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM427180;MM427180;C#CCC1=CC(C=O)C=C1;XLGLGSLHOPHSSK-UHFFFAOYSA-N;132.16;1.32;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNa_SC4";;;;;;;2.2;;0.34;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM427181;MM427181;N=C(CF)NNC=CC=O;WZEIIKKYLJYGSU-UHFFFAOYSA-N;145.14;-0.26;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_P2";;;;;;;-1.34;;-4.31;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM427182;MM427182;C#CCCCC1(CC)CO1;MHJPYILCNJVZMM-UHFFFAOYSA-N;138.21;1.97;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNa_C3";;;;;;;2.57;;0.45;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM427183;MM427183;CC(C)c1ncc(CF)o1;VQGSBYQPLDLEIL-UHFFFAOYSA-N;143.16;2.27;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC5_SNa";;;;;;;1.64;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM427184;MM427184;C=CC(C=CC=CC)CF;DRGUTVASVJWYBY-UHFFFAOYSA-N;140.2;2.89;;;;;DOPC;MDCG;27;0;"MARTINI bead: C2_C4";;;;;;;4.16;;0.44;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM427185;MM427185;C=CC12CC(C)C(C)C1O2;WXLYHFPTVPRULG-UHFFFAOYSA-N;138.21;1.99;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNa_SC2";;;;;;;2.83;;0.35;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM427186;MM427186;C#CCc1ccn(C=C)c1;ZXGZEFNAWJDLHW-UHFFFAOYSA-N;131.18;1.76;;;;;DOPC;MDCG;27;0;"MARTINI bead: SN0_SN0";;;;;;;1.47;;-0.05;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM427187;MM427187;C#CCC=NNC(=N)C#C;REPPSOPRNIHXOL-UHFFFAOYSA-N;133.15;0.2;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_C5";;;;;;;0.54;;-1.09;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM427188;MM427188;C#CCCCC1(CN)CO1;KQXWBKKABRWRRP-UHFFFAOYSA-N;139.2;0.52;;;;;DOPC;MDCG;27;1;"MARTINI bead: SP2_C3";;;;;;;1.46;;-2.08;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM427189;MM427189;Cn1cnc(=N)c(=NN)o1;HEUIMOFGFAEFEQ-UHFFFAOYSA-N;141.13;-1.73;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP2_SP3";;;;;;;-2.2;;-5.19;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM427190;MM427190;C=CC(C=CC=CF)CF;VJNHWCZDZIWAAQ-UHFFFAOYSA-N;144.16;2.8;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4_C4";;;;;;;3.53;;0.53;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM427191;MM427191;C=CC12CC(N)C(C)N1C2;DZVSQBTZNNHOCF-UHFFFAOYSA-N;138.21;0.35;;;;;DOPC;MDCG;27;1;"MARTINI bead: SP2_SN0";;;;;;;0.06;;-4.41;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM427192;MM427192;C#CCc1ccn(C=N)c1;IWPOEGYCSSZAMJ-UHFFFAOYSA-N;132.17;1.12;;;;;DOPC;MDCG;27;1;"MARTINI bead: SNd_SN0";;;;;;;1.17;;-3.95;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM427193;MM427193;C#CCCCC1(CO)CO1;JKRMIVJANRORCW-UHFFFAOYSA-N;140.18;0.55;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP2_C3";;;;;;;1.46;;-0.15;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM427194;MM427194;CCC(=O)N(C=N)N=CN;OLPZFWDHKBKQFY-UHFFFAOYSA-N;142.16;-0.27;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_P4";;;;;;;-0.41;;-2.78;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM427195;MM427195;COc1cnc(C(C)C)o1;WXWDOVATBOFZOJ-UHFFFAOYSA-N;141.17;1.81;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNa_SC5";;;;;;;1.64;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM427196;MM427196;CC=CC=CC(C#N)CF;LEHJYFAYMWBQPQ-UHFFFAOYSA-N;139.17;2.23;;;;;DOPC;MDCG;27;0;"MARTINI bead: C2_Na";;;;;;;2.83;;0.35;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM427197;MM427197;C#CCc1ccn(C=O)c1;LAYNFGJKIRYTJX-UHFFFAOYSA-N;133.15;0.7;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNa_SN0";;;;;;;1.17;;-1.18;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM427198;MM427198;C#CC12CC(N)C(C)C1C2;YIBFATIAMLQHMR-UHFFFAOYSA-N;135.21;0.99;;;;;DOPC;MDCG;27;1;"MARTINI bead: SNd_SC4";;;;;;;2.2;;-2.46;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM427199;MM427199;C#CCNCC1(CC)CO1;QKBWZSLSHVQLGH-UHFFFAOYSA-N;139.2;0.39;;;;;DOPC;MDCG;27;1;"MARTINI bead: SNa_P2";;;;;;;-0.24;;-4.47;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM427200;MM427200;COC(C#N)C1NC1C#N;DTPPWTIDAILPMY-UHFFFAOYSA-N;137.14;-0.61;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_SP2";;;;;;;-1.06;;-3.82;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM427201;MM427201;C=CC1=CC=C(C(C)C)C1;RVSCYUJWXGYSGJ-UHFFFAOYSA-N;134.22;3.08;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC3_SC4";;;;;;;3.9;;0.47;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM427202;MM427202;O=CC(C=CC=CF)CF;UEJAZGQEUONWKC-UHFFFAOYSA-N;146.14;1.81;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_C4";;;;;;;1.37;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM427203;MM427203;C=Cc1nc(N)c(N)o1;HOVSZYINYSEVOJ-UHFFFAOYSA-N;125.13;0.48;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP1_SN0";;;;;;;0.34;;-1.53;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM427204;MM427204;C#CCc1ccn(N=C)c1;QGOMAPOCQCEEBU-UHFFFAOYSA-N;132.17;1.13;;;;;DOPC;MDCG;27;1;"MARTINI bead: SN0_SN0";;;;;;;1.47;;-1.33;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM427205;MM427205;C#CCNCC1(CN)CO1;YJASDKRTPAHPHW-UHFFFAOYSA-N;140.19;-1.06;;;;;DOPC;MDCG;27;1;"MARTINI bead: SP2_P2";;;;;;;-1.34;;-6.08;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM427206;MM427206;C=CC(CC)C1OC1C=C;QICZAKZWSXNCEY-UHFFFAOYSA-N;138.21;2.15;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1_SNa";;;;;;;2.91;;0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM427207;MM427207;C=CC(C=CC=NN)CC;AWTKWIWMXXBBSB-UHFFFAOYSA-N;138.21;1.7;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1_Nd";;;;;;;2.91;;0.64;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM427208;MM427208;CC(C)C1=CC=C(C=O)C1;YYIXHBZHPFIUEI-UHFFFAOYSA-N;136.19;2.1;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC3_SNa";;;;;;;2.57;;0.45;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM427209;MM427209;C#CC12CC(N)C(N)C1C2;QKWYFMKJVOIQCB-UHFFFAOYSA-N;136.2;-0.32;;;;;DOPC;MDCG;27;1;"MARTINI bead: SC4_SP1";;;;;;;1.37;;-2.49;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM427210;MM427210;C#CCOCC1(CC)CO1;CGUFJDDXIVPRRR-UHFFFAOYSA-N;140.18;0.82;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNa_Na";;;;;;;0.87;;-2.22;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM427211;MM427211;C#CCc1cnn(C=C)c1;SODGHHIKNDSYHP-UHFFFAOYSA-N;132.17;1.16;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNa_SN0";;;;;;;1.17;;-1.18;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM427212;MM427212;C=CC1OC1C(C#N)CC;LSKGHTPSXXJZHB-UHFFFAOYSA-N;137.18;1.49;;;;;DOPC;MDCG;27;0;"MARTINI bead: N0_SNa";;;;;;;1.17;;-1.18;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM427213;MM427213;C#CC(=O)C(N)=CC#N;FMZNCDOCVSFBPT-UHFFFAOYSA-N;120.11;-0.45;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda_P2";;;;;;;-0.24;;-3.31;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM427214;MM427214;CC(C)C1=CC=C(C#N)C1;YNLCBZRPTZXIPX-UHFFFAOYSA-N;133.19;2.42;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC3_SN0";;;;;;;2.87;;0.37;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM427215;MM427215;CON=CC(C=O)OC;DXEPXWAFKMXMTF-UHFFFAOYSA-N;131.13;-0.17;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_Na";;;;;;;-0.24;;-3.24;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM427216;MM427216;C#CCOCC1(CN)CO1;UBZYUUVAZNKTNU-UHFFFAOYSA-N;141.17;-0.64;;;;;DOPC;MDCG;27;1;"MARTINI bead: SP2_Na";;;;;;;-0.24;;-5.22;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM427217;MM427217;C=CC(CN)C1OC1C=C;GXCPUBSBYLHHSC-UHFFFAOYSA-N;139.2;0.7;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_SNa";;;;;;;0.87;;-4.57;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM427218;MM427218;C#CCc1cnn(C=N)c1;VEKFPQFJQMODPK-UHFFFAOYSA-N;133.15;0.51;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP1_SN0";;;;;;;0.34;;-1.53;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM427219;MM427219;CCC(C=O)C=CC=NO;KFGGKBBRZYGHMC-UHFFFAOYSA-N;141.17;1.23;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_P1";;;;;;;0.81;;-0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM427220;MM427220;C=CC1=CC=C(C(C)O)C1;HDDMPVCKOGXPHX-UHFFFAOYSA-N;136.19;1.81;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNda_SC4";;;;;;;2.2;;0.49;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM427221;MM427221;C#CC12CC(N)C(O)C1C2;OPXYUFSCXBXTCU-UHFFFAOYSA-N;137.18;-0.28;;;;;DOPC;MDCG;27;1;"MARTINI bead: SC4_SP1";;;;;;;1.37;;-2.36;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM427222;MM427222;C#CCOCC1(CO)CO1;DKSGJQDWZKCHSV-UHFFFAOYSA-N;142.15;-0.6;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP2_Na";;;;;;;-0.24;;-3.24;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM427223;MM427223;C=CC1OC1C(C#N)CO;NODQMRWTZGKCLG-UHFFFAOYSA-N;139.15;0.07;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_SNa";;;;;;;-0.24;;-3.24;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM427224;MM427224;C#CCc1cnn(C=O)c1;DTNMVNCUGDTKOJ-UHFFFAOYSA-N;134.14;0.1;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP1_SN0";;;;;;;0.34;;-1.53;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM427225;MM427225;CCC(C#N)C=CC=NO;WWTROFKPZCHUPC-UHFFFAOYSA-N;138.17;1.55;;;;;DOPC;MDCG;27;0;"MARTINI bead: N0_Nda";;;;;;;1.17;;-1.13;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM427226;MM427226;CC(O)C1=CC=C(C=O)C1;ZSRHQOJLUKAVPQ-UHFFFAOYSA-N;138.17;0.82;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNda_SNa";;;;;;;0.87;;-1.99;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM427227;MM427227;C=CC1(CCCCC)CC1;SIYHNUMIIVQFDT-UHFFFAOYSA-N;138.25;3.53;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1_SC4";;;;;;;4.24;;0.42;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM427228;MM427228;C=CC(CC)C1OC1C#N;LLUMKSNNNKDJHT-UHFFFAOYSA-N;137.18;1.49;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1_SP1";;;;;;;2.08;;0.48;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM427229;MM427229;C#CC12CC1C(C)C(C)N2;HJAWXOAZGXZEKM-UHFFFAOYSA-N;135.21;1.01;;;;;DOPC;MDCG;27;1;"MARTINI bead: SNd_SN0";;;;;;;1.17;;-3.68;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM427230;MM427230;C#CCc1cnn(N=C)c1;KZAYKFHBHMMXKG-UHFFFAOYSA-N;133.15;0.52;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP1_SN0";;;;;;;0.34;;-1.53;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM427231;MM427231;CCOC(=NNC)OC;IOAWRXGYWIVPQX-UHFFFAOYSA-N;132.16;0.16;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_P2";;;;;;;0.54;;-1.09;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM427232;MM427232;CC(O)C1=CC=C(C#N)C1;UQMPZFIMSCGDRZ-UHFFFAOYSA-N;135.17;1.15;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNda_SN0";;;;;;;1.17;;-1.13;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM427233;MM427233;CCC(C=O)C1OC1C=O;VBUJFKROIRFAOY-UHFFFAOYSA-N;142.15;0.18;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_SP2";;;;;;;0.54;;-1.09;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM427234;MM427234;C#CC12CC1C(N)C(C)N2;CDXSREXSQKDLKW-UHFFFAOYSA-N;136.2;-0.3;;;;;DOPC;MDCG;27;1;"MARTINI bead: SNd_SP2";;;;;;;-0.24;;-5.58;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM427235;MM427235;C=CC1(CCCCN)CC1;QVUQMVUHLLHNAL-UHFFFAOYSA-N;139.24;2.08;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_SC4";;;;;;;2.2;;-2.22;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM427236;MM427236;C#CCc1cn(C=C)cn1;AFEKFFLCXHJWTD-UHFFFAOYSA-N;132.17;1.16;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP1_SNa";;;;;;;0.04;;-2.54;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM427237;MM427237;C=CC(C=CC=NO)CO;DGWJMPOBPHGWDL-UHFFFAOYSA-N;141.17;0.8;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda_Nda";;;;;;;0.87;;-2.07;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM427238;MM427238;CC(C)C1=NN=C(C#N)C1;YWLNPDGVCISUNX-UHFFFAOYSA-N;135.17;1.37;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC5_SN0";;;;;;;1.94;;0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM427239;MM427239;C=CC(CO)C1OC1C#N;BCWXRISUTIRVPR-UHFFFAOYSA-N;139.15;0.07;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda_SP1";;;;;;;0.04;;-2.73;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM427240;MM427240;C#CC12CC1C(O)C(C)N2;SDANLEPXOWUULE-UHFFFAOYSA-N;137.18;-0.27;;;;;DOPC;MDCG;27;1;"MARTINI bead: SNd_SP1";;;;;;;0.04;;-4.43;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM427241;MM427241;C#CCc1cn(C=O)cn1;GFNPPDYXHVCPSJ-UHFFFAOYSA-N;134.14;0.1;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP2_SNa";;;;;;;-0.24;;-3.24;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM427242;MM427242;C#Cc1oc(=NN)oc1C;NFRBUSJGBJJFAM-UHFFFAOYSA-N;138.13;-0.06;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP1_P1";;;;;;;-0.79;;-3.13;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM427243;MM427243;C=CC(C=CC=CC)NC;NGQNYIVLNLXFKQ-UHFFFAOYSA-N;137.23;1.89;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_C1";;;;;;;2.91;;0.26;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM427244;MM427244;C=Cc1ccc(C(C)C)[nH]1;XQOVRWRHUUEOBA-UHFFFAOYSA-N;135.21;2.78;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC4_SNd";;;;;;;2.2;;0.32;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM427245;MM427245;N#CC(CO)C1OC1C#N;OOIPCDNHMDGZTP-UHFFFAOYSA-N;138.13;-0.59;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_SP1";;;;;;;-1.06;;-3.82;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM427246;MM427246;C#CC12CC1C(C)C(C)O2;GLIFHOCHWNKYFY-UHFFFAOYSA-N;136.19;1.43;;;;;DOPC;MDCG;27;0;"MARTINI bead: SN0_SNa";;;;;;;1.17;;-1.18;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM427247;MM427247;C=CC1(CCCCF)CC1;HUFLGBKMADSJSK-UHFFFAOYSA-N;142.22;3.09;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4_SC4";;;;;;;3.53;;0.53;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM427248;MM427248;C#CCc1cn(C=C)nn1;NEQWWVYWVRRRRU-UHFFFAOYSA-N;133.15;0.55;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP1_SP1";;;;;;;-0.79;;-3.13;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM427249;MM427249;C=CC(C=CC=CF)NC;HUGPARAIQGPUSF-UHFFFAOYSA-N;141.19;1.8;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_C4";;;;;;;2.2;;-1.19;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM427250;MM427250;CC(C)c1ccc(C#N)[nH]1;JOODNUYQVZRBCW-UHFFFAOYSA-N;134.18;2.01;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC4_SNd";;;;;;;2.2;;0.32;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM427251;MM427251;C=CC(NC)C1OC1C=C;FOCGIBAURFAWLZ-UHFFFAOYSA-N;139.2;0.71;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_SNa";;;;;;;0.87;;-3.53;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM427252;MM427252;C#CC12CC1C(N)C(C)O2;WVQGUYPYRXGZAL-UHFFFAOYSA-N;137.18;0.12;;;;;DOPC;MDCG;27;1;"MARTINI bead: SNa_SP1";;;;;;;0.04;;-4.85;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM427253;MM427253;C#CCc1cn(C=N)nn1;ZJGPGIVJLFTXJV-UHFFFAOYSA-N;134.14;-0.09;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP2_SP1";;;;;;;-1.06;;-3.82;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM427254;MM427254;CCCCCC1(C=O)CC1;XUDSMTCFSWAZNA-UHFFFAOYSA-N;140.23;2.55;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1_SNa";;;;;;;2.91;;0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM427255;MM427255;C=CC(C=CC=NN)NC;LLLFSMNNUBNFGF-UHFFFAOYSA-N;139.2;0.26;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_Nd";;;;;;;0.87;;-3.87;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM427256;MM427256;CC(O)c1ccc(C#N)[nH]1;JROQAHGAUFZMBJ-UHFFFAOYSA-N;136.15;0.94;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNda_SNd";;;;;;;0.87;;-1.92;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM427257;MM427257;C=CC(NC)C1OC1C=O;AYSXAWLXVHKEQI-UHFFFAOYSA-N;141.17;-0.27;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_SP2";;;;;;;-0.24;;-4.5;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM427258;MM427258;C#CC12CC1C(O)C(C)O2;VEVTZZBFCNFFCL-UHFFFAOYSA-N;138.17;0.16;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNa_SP1";;;;;;;0.04;;-2.54;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM427259;MM427259;C#CCc1cn(C=O)nn1;TTZYTXBRXLWGMI-UHFFFAOYSA-N;135.13;-0.51;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP2_SP1";;;;;;;-1.06;;-3.82;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM427260;MM427260;CCCCCC1(C#N)CC1;MSYPBZSRBIWKRZ-UHFFFAOYSA-N;137.23;2.87;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1_SN0";;;;;;;3.21;;0.46;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM427261;MM427261;C#CC(=O)CC1CN1C;QAEAMVXDVNYRJQ-UHFFFAOYSA-N;123.16;-0.11;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP1_Na";;;;;;;0.04;;-2.54;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM427262;MM427262;N=c1ncn(N)oc1=NN;TZDGANCUNRGVJJ-UHFFFAOYSA-N;142.12;-2.56;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP3_SP2";;;;;;;-2.2;;-5.19;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM427263;MM427263;C=CC(OC)C1OC1C=O;RVXALVZHIIVGOZ-UHFFFAOYSA-N;142.15;0.15;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_SP2";;;;;;;-0.24;;-3.24;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM427264;MM427264;C#CCc1cn(N=C)nn1;QZSSVKVZLVUIFN-UHFFFAOYSA-N;134.14;-0.08;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP1_SP1";;;;;;;-0.79;;-3.13;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM427265;MM427265;C#CC12CC1C(C)N(C)C2;MAFAZSRVBJKQDP-UHFFFAOYSA-N;135.21;0.96;;;;;DOPC;MDCG;27;1;"MARTINI bead: SNd_SP1";;;;;;;0.04;;-4.94;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM427266;MM427266;C#Cc1oc(=NN)oc1N;OQVCRPHQQOQHGW-UHFFFAOYSA-N;139.11;-0.79;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP2_P1";;;;;;;-1.06;;-3.82;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM427267;MM427267;C=CC(CC)C1CN1C=N;NJECKEKIDZTGRX-UHFFFAOYSA-N;138.21;1.49;;;;;DOPC;MDCG;27;1;"MARTINI bead: C1_SP2";;;;;;;1.8;;-1.98;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM427268;MM427268;NN=c1nc(F)ccn1N;KFJHIVFJMWRNER-UHFFFAOYSA-N;143.13;-1.49;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP2_SNa";;;;;;;-0.24;;-3.24;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM427269;MM427269;C=CC(C=CC=CC)OC;PSCXTTJVHBVUQI-UHFFFAOYSA-N;138.21;2.32;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_C1";;;;;;;2.91;;0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM427270;MM427270;C#CCc1ccn(C=C)n1;GWJRDNPOEAHMNL-UHFFFAOYSA-N;132.17;1.16;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNa_SN0";;;;;;;1.17;;-1.18;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM427271;MM427271;C#CC12CC(C)N(C)C1C2;KWUVJOYLFDVQHW-UHFFFAOYSA-N;135.21;1.1;;;;;DOPC;MDCG;27;1;"MARTINI bead: SN0_SNd";;;;;;;1.17;;-3.19;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM427272;MM427272;C=CC1(CCCNC)CC1;IZERWSWTCKWUTE-UHFFFAOYSA-N;139.24;1.95;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_SC4";;;;;;;2.2;;-2.54;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM427273;MM427273;CC(C)c1c[nH]c(C#N)n1;HNIYQHXFSKVBRU-UHFFFAOYSA-N;135.17;1.4;;;;;DOPC;MDCG;27;0;"MARTINI bead: SN0_SNda";;;;;;;1.17;;-1.13;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM427274;MM427274;CCC(C=O)C1CN1C=N;LLLARRBCTNZBHL-UHFFFAOYSA-N;140.19;0.5;;;;;DOPC;MDCG;27;1;"MARTINI bead: C5_SP2";;;;;;;0.54;;-4.12;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM427275;MM427275;C=CC(C=CC=CF)OC;YWXHOWLABAGFMC-UHFFFAOYSA-N;142.17;2.23;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_C4";;;;;;;2.97;;0.45;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM427276;MM427276;C#CCc1ccn(C=N)n1;ZBXPGIMSMYCRLV-UHFFFAOYSA-N;133.15;0.51;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP1_SN0";;;;;;;0.34;;-1.53;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM427277;MM427277;C=C1CC2(CC)CC2C1C;ZKHNNZZXBGSCKK-UHFFFAOYSA-N;136.24;3;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC3_SC3";;;;;;;4.27;;0.2;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM427278;MM427278;O=C(O)C#CC(CO)=NO;GTKCWMAHUTURJM-UHFFFAOYSA-N;143.1;-1.1;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_P1";;;;;;;-1.06;;-8.72;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM427279;MM427279;CCC(C#N)C1CN1C=N;FXFNOXLWDWDHLW-UHFFFAOYSA-N;137.19;0.83;;;;;DOPC;MDCG;27;1;"MARTINI bead: N0_SP2";;;;;;;0.06;;-5.08;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM427280;MM427280;C=CC1(CCCOC)CC1;WFTPYBDVMUZDDM-UHFFFAOYSA-N;140.23;2.38;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_SC4";;;;;;;2.2;;0.34;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM427281;MM427281;CC=CC=CC(C#N)OC;RNLFPDMTCOHVMF-UHFFFAOYSA-N;137.18;1.66;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_C1";;;;;;;2.08;;0.48;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM427282;MM427282;C#CCc1ccn(C=O)n1;SKEWRORFUDKSCK-UHFFFAOYSA-N;134.14;0.1;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP1_SN0";;;;;;;0.34;;-1.53;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM427283;MM427283;C=C1CC2(CN)CC2C1C;BPJOUCOGNWEBLY-UHFFFAOYSA-N;137.23;1.55;;;;;DOPC;MDCG;27;1;"MARTINI bead: SNd_SC3";;;;;;;2.57;;-1.2;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM427284;MM427284;C=CC(CN)C1CN1C=N;DKDIGNMIGQDZET-UHFFFAOYSA-N;139.2;0.04;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_SP2";;;;;;;-0.24;;-6.26;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM427285;MM427285;COCCCC1(C#N)CC1;WABMVJMLVARRKQ-UHFFFAOYSA-N;139.2;1.72;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_SN0";;;;;;;1.17;;-1.18;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM427286;MM427286;C=Cc1nc(C(C)C)n[nH]1;PWBDVYZZTNGMJC-UHFFFAOYSA-N;137.19;1.57;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNda_SNda";;;;;;;0.87;;-2.07;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM427287;MM427287;C#CCc1ccn(N=C)n1;LAGZRXTVFIZSPH-UHFFFAOYSA-N;133.15;0.52;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP1_SN0";;;;;;;0.34;;-1.53;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM427288;MM427288;C=CC(C=CC=NN)OC;CXJLTWXMBNRVPT-UHFFFAOYSA-N;140.19;0.69;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_Nd";;;;;;;1.64;;0.02;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM427289;MM427289;C=CC1(CCNCC)CC1;NWZWWFMRCRDJQB-UHFFFAOYSA-N;139.24;1.95;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_SC4";;;;;;;2.2;;-2.64;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM427290;MM427290;C=C1CC2(CC)CC2C1N;YWVRZUXZXFGTGC-UHFFFAOYSA-N;137.23;1.69;;;;;DOPC;MDCG;27;1;"MARTINI bead: SC3_SNd";;;;;;;2.57;;-1.26;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM427291;MM427291;C=CC(CO)C1CN1C=N;DZSZEQAVAANWOQ-UHFFFAOYSA-N;140.19;0.07;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nda_SP2";;;;;;;-0.24;;-6.34;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM427292;MM427292;CC1(C#N)NC1C(=O)O;WYFUTJXYWOVOKA-UHFFFAOYSA-N;126.12;-0.67;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP1_P1";;;;;;;-0.79;;-8.25;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM427293;MM427293;C#CCc1cnn(C=C)n1;HJMGMADLXZMNKV-UHFFFAOYSA-N;133.15;0.55;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNa_SP1";;;;;;;0.04;;-2.54;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM427294;MM427294;CCNCCC1(C=O)CC1;KOMXOIREFVHFPD-UHFFFAOYSA-N;141.21;0.97;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_SNa";;;;;;;0.87;;-4.81;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM427295;MM427295;C=CC(C=CC=NO)OC;GFEBTVOQUBLVSK-UHFFFAOYSA-N;141.17;1.2;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_Nda";;;;;;;0.87;;-1.99;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM427296;MM427296;C=C1CC2(CN)CC2C1N;WDDMRLMMUSGBND-UHFFFAOYSA-N;138.21;0.24;;;;;DOPC;MDCG;27;1;"MARTINI bead: SNd_SNd";;;;;;;0.87;;-4.93;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM427297;MM427297;N=CN1CC1C(C=O)CO;XQLJEFYCFYJBQR-UHFFFAOYSA-N;142.16;-0.91;;;;;DOPC;MDCG;27;1;"MARTINI bead: P2_SP2";;;;;;;-1.34;;-7.28;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM427298;MM427298;C=Cc1ccc(C(C)C)o1;FYSZZNSUVRYBKW-UHFFFAOYSA-N;136.19;3.05;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC4_SC5";;;;;;;2.97;;0.45;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM427299;MM427299;C#CCc1cnn(C=N)n1;OWROXUSTFPTDRT-UHFFFAOYSA-N;134.14;-0.09;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP2_SP1";;;;;;;-1.06;;-3.82;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM427300;MM427300;CCNCCC1(C#N)CC1;BXHRKADHXWREDT-UHFFFAOYSA-N;138.21;1.29;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_SN0";;;;;;;1.17;;-3.28;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM427301;MM427301;C=CC(C=NN=CC)CC;LJULLLHPRMPNTF-UHFFFAOYSA-N;138.21;2.28;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1_C5";;;;;;;3.68;;0.46;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM427302;MM427302;C=C1CC2(NC)CC2C1N;ZVOMRPHLQIDSCQ-UHFFFAOYSA-N;138.21;0.25;;;;;DOPC;MDCG;27;1;"MARTINI bead: SNd_SNd";;;;;;;0.87;;-4.76;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM427303;MM427303;N#CC(CO)C1CN1C=N;OAVSMPCNRSLXTG-UHFFFAOYSA-N;139.16;-0.59;;;;;DOPC;MDCG;27;1;"MARTINI bead: P2_SP2";;;;;;;-1.34;;-7.13;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM427304;MM427304;CC(C)c1ccc(C=O)o1;HPZGEZCWOHZVQG-UHFFFAOYSA-N;138.17;2.22;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC4_SNa";;;;;;;2.2;;0.34;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM427305;MM427305;C#CCc1cnn(C=O)n1;BXBNFVGUSGAVAR-UHFFFAOYSA-N;135.13;-0.51;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP2_SP1";;;;;;;-1.06;;-3.82;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM427306;MM427306;CNN=c1ccn(N)o1;BTUQGEWXYJOEBP-UHFFFAOYSA-N;128.14;-1.17;;;;;DOPC;MDCG;27;0;"MARTINI bead: SN0_SP2";;;;;;;0.06;;-2.21;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM427307;MM427307;C=CC1(CCOCC)CC1;BZHBGCWJHVJTJD-UHFFFAOYSA-N;140.23;2.38;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_SC4";;;;;;;2.97;;0.45;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM427308;MM427308;CCC12CC(=N)N(C)C1C2;YZRVURTZFJFTRG-UHFFFAOYSA-N;138.21;1.47;;;;;DOPC;MDCG;27;1;"MARTINI bead: SC3_SNd";;;;;;;2.57;;-3.3;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM427309;MM427309;CC(C)c1ccc(C#N)o1;INIAYCFLBIFYRX-UHFFFAOYSA-N;135.17;2.27;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC4_SN0";;;;;;;2.5;;0.44;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM427310;MM427310;C=CC(CC)C1CN1C=O;RGUBXIHCPJXJPG-UHFFFAOYSA-N;139.2;1.04;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1_SP2";;;;;;;1.8;;0.4;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM427311;MM427311;CCOCCC1(C=O)CC1;LSRBAIOXRIHOQP-UHFFFAOYSA-N;142.2;1.39;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_SNa";;;;;;;1.64;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM427312;MM427312;CC=NN=CC(C#N)CC;QHUUQWXRGXAEEK-UHFFFAOYSA-N;137.19;1.61;;;;;DOPC;MDCG;27;0;"MARTINI bead: N0_C5";;;;;;;1.94;;0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM427313;MM427313;C#CCc1ncn(C=C)n1;FQOUBLSWIQEDAP-UHFFFAOYSA-N;133.15;0.55;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNa_SNa";;;;;;;0.87;;-2.22;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM427314;MM427314;CN1C(=N)CC2(CF)CC12;OOGQEHHKJVOWDE-UHFFFAOYSA-N;142.18;1.03;;;;;DOPC;MDCG;27;1;"MARTINI bead: SNd_SNa";;;;;;;0.87;;-6.38;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM427315;MM427315;C=Cc1ncc(C(C)C)o1;YJRPGBULZCCKHY-UHFFFAOYSA-N;137.18;2.44;;;;;DOPC;MDCG;27;0;"MARTINI bead: SN0_SNa";;;;;;;1.17;;-1.18;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM427316;MM427316;CNc1oc(=O)n(N)c1F;YPMSISVYUQDOAK-UHFFFAOYSA-N;147.11;-0.66;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNd_SP2";;;;;;;-0.24;;-3.16;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM427317;MM427317;CCOCCC1(C#N)CC1;WBIMJZLFNUVKRB-UHFFFAOYSA-N;139.2;1.72;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_SN0";;;;;;;1.17;;-1.18;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM427318;MM427318;C=CC(C=NN=CC)CN;HFABYHRFBOVUMV-UHFFFAOYSA-N;139.2;0.82;;;;;DOPC;MDCG;27;1;"MARTINI bead: C5_Nd";;;;;;;1.64;;-2.29;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM427319;MM427319;C#CCc1ncn(C=N)n1;OYDAUDKQOGTUHI-UHFFFAOYSA-N;134.14;-0.09;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP2_SNa";;;;;;;-0.24;;-3.24;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM427320;MM427320;CCC12CC(=N)N(N)C1C2;XJQBSPJBBFBXQN-UHFFFAOYSA-N;139.2;0.71;;;;;DOPC;MDCG;27;1;"MARTINI bead: SC3_SP2";;;;;;;1.46;;-2.75;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM427321;MM427321;C=Cc1cnc(C(C)C)o1;JWBXKCBQHPOXTF-UHFFFAOYSA-N;137.18;2.44;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC5_SN0";;;;;;;1.94;;0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM427322;MM427322;CCC(C#N)C1CN1C=O;WNMNJNKBJYHAMC-UHFFFAOYSA-N;138.17;0.38;;;;;DOPC;MDCG;27;0;"MARTINI bead: N0_SP2";;;;;;;0.06;;-2.21;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM427323;MM427323;C=CC1(CNCCC)CC1;JRJPVKMWFGYHAX-UHFFFAOYSA-N;139.24;1.95;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_SC4";;;;;;;2.2;;-2.59;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM427324;MM427324;C#CCc1ncn(C=O)n1;IHLFJNHEYDDXHR-UHFFFAOYSA-N;135.13;-0.51;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP2_SNa";;;;;;;-0.24;;-3.24;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM427325;MM427325;CC=NN=CC(C=O)CO;LTPQEFXTUQUAPO-UHFFFAOYSA-N;142.16;-0.13;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_P2";;;;;;;0.54;;-1.09;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM427326;MM427326;N=C1NC2(CF)CC2N1N;ZVEXCVFJRJIXSW-UHFFFAOYSA-N;144.15;-0.82;;;;;DOPC;MDCG;27;1;"MARTINI bead: SP2_SP2";;;;;;;-1.34;;-7.46;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM427327;MM427327;CC(C)c1ncc(C=O)o1;RUEGEMFTZYGXHX-UHFFFAOYSA-N;139.15;1.61;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC5_SP1";;;;;;;0.81;;-0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM427328;MM427328;C=CC(CO)C1CN1C=O;LACWSOPSWMAKKV-UHFFFAOYSA-N;141.17;-0.38;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda_SP2";;;;;;;-0.24;;-3.31;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM427329;MM427329;C#CCc1ncn(N=C)n1;KMQSVOZYNICRME-UHFFFAOYSA-N;134.14;-0.08;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP2_SNa";;;;;;;-0.24;;-3.24;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM427330;MM427330;C=CC1(CNCCN)CC1;SYCPVKXIRRDDFQ-UHFFFAOYSA-N;140.23;0.5;;;;;DOPC;MDCG;27;1;"MARTINI bead: P3_SC4";;;;;;;0.23;;-3.67;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM427331;MM427331;C=C1CC2(CC)OC2C1N;WIJDXROMPTZGHH-UHFFFAOYSA-N;139.2;0.82;;;;;DOPC;MDCG;27;1;"MARTINI bead: SC5_SNd";;;;;;;1.64;;-1.66;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM427332;MM427332;CC=NN=CC(C#N)CO;MHTJVIMMFVHXRF-UHFFFAOYSA-N;139.16;0.19;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_P2";;;;;;;0.54;;-1.09;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM427333;MM427333;CC(C)c1ncc(C#N)o1;FSWJLDSRKUWLNR-UHFFFAOYSA-N;136.15;1.67;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC5_SP1";;;;;;;0.81;;-0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM427334;MM427334;C=CC(OC)C1CN1C=N;PHXHBUCUDRIGEH-UHFFFAOYSA-N;140.19;0.48;;;;;DOPC;MDCG;27;1;"MARTINI bead: Na_SP2";;;;;;;-0.24;;-5.74;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM427335;MM427335;C#CCc1nnn(C=C)n1;MKRLHYUOKDLGLG-UHFFFAOYSA-N;134.14;-0.05;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP1_SP1";;;;;;;-0.79;;-3.13;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM427336;MM427336;C=CC1(CNCCO)CC1;VWJDMDZNLOSENB-UHFFFAOYSA-N;141.21;0.53;;;;;DOPC;MDCG;27;1;"MARTINI bead: P2_SC4";;;;;;;1.09;;-2.77;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM427337;MM427337;C=CC(C=NN=CC)CF;WBXNFIRMQAQTBH-UHFFFAOYSA-N;142.18;1.83;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_C5";;;;;;;2.41;;0.64;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM427338;MM427338;C=CC12CC(=C)C(C)C1C2;PKPVMKNFUNSITO-UHFFFAOYSA-N;134.22;2.77;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC4_SC3";;;;;;;3.9;;0.47;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM427339;MM427339;C#CC1=CC=C(C(C)C)C1;MFIOPZNQPGLMIE-UHFFFAOYSA-N;132.21;2.53;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC3_SC5";;;;;;;3.34;;0.48;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM427340;MM427340;C=CC(OC)C1CN1C=O;RNAGYSBJCFDYGX-UHFFFAOYSA-N;141.17;0.03;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_SP2";;;;;;;-0.24;;-3.24;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM427341;MM427341;C#CCc1nnn(C=N)n1;BODFKLCAHICFBQ-UHFFFAOYSA-N;135.13;-0.7;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP2_SP1";;;;;;;-1.06;;-3.82;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM427342;MM427342;CN=c1oc(N)nn1N;TXQAMPPUFIHHAW-UHFFFAOYSA-N;129.12;-1.7;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP2_SP2";;;;;;;-1.34;;-4.31;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM427343;MM427343;CCCNCC1(C=O)CC1;ZNIMHRQCDSGFNM-UHFFFAOYSA-N;141.21;0.97;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_SNa";;;;;;;0.87;;-4.68;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM427344;MM427344;C=CC12CC(=O)C(C)C1C2;XPCZINHJTURTBU-UHFFFAOYSA-N;136.19;1.79;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC4_SNa";;;;;;;2.2;;0.34;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM427345;MM427345;C=CC(CC)C1CN1N=C;MFMJZXZUSYDEQT-UHFFFAOYSA-N;138.21;1.5;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1_SP2";;;;;;;1.8;;0.4;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM427346;MM427346;C#CC1=CC=C(C(C)O)C1;JWBDCUOLHCKGKN-UHFFFAOYSA-N;134.18;1.26;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNda_SC5";;;;;;;1.64;;0.05;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM427347;MM427347;CC=NN=CC(C#N)NC;FAYDTJBLCBGHRH-UHFFFAOYSA-N;138.17;0.17;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_C5";;;;;;;0.54;;-1.09;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM427348;MM427348;C#CCc1nnn(C=O)n1;GMEGGRRKJQLGPF-UHFFFAOYSA-N;136.11;-1.11;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP2_SP1";;;;;;;-1.06;;-3.82;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM427349;MM427349;C=CC1(COCCC)CC1;FJNZDDVLEDTCEP-UHFFFAOYSA-N;140.23;2.38;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_SC4";;;;;;;2.2;;0.34;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM427350;MM427350;C=CC12CC(=C)C(N)C1C2;YXESEAPKJHZPJN-UHFFFAOYSA-N;135.21;1.47;;;;;DOPC;MDCG;27;1;"MARTINI bead: SNd_SC4";;;;;;;2.2;;-1.96;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM427351;MM427351;CNn1nc(N)ccc1=O;PBTQKYOEWSEHTR-UHFFFAOYSA-N;140.15;-1;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP1_SP2";;;;;;;-1.06;;-3.82;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM427352;MM427352;C#CC1=NN=C(C(C)C)C1;JTNFKOBLMUHXAP-UHFFFAOYSA-N;134.18;1.48;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC5_SN0";;;;;;;1.94;;0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM427353;MM427353;C#CC1C=CC(CCC)=C1;GTZHOATVMMYBMD-UHFFFAOYSA-N;132.21;2.53;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC2_SN0";;;;;;;3.13;;0.3;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM427354;MM427354;C=CC(C=NN=CC)OC;YQASHEQRYZJHHB-UHFFFAOYSA-N;140.19;1.26;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_C5";;;;;;;1.64;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM427355;MM427355;C=CC12CC(=N)N(C)C1C2;DDJOYEHAZXNCPI-UHFFFAOYSA-N;136.2;1.24;;;;;DOPC;MDCG;27;1;"MARTINI bead: SNd_SP1";;;;;;;0.04;;-7.03;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM427356;MM427356;C=CC1(COCCN)CC1;JBZSKAOXXIRCCC-UHFFFAOYSA-N;141.21;0.93;;;;;DOPC;MDCG;27;1;"MARTINI bead: P2_SC4";;;;;;;1.09;;-2.38;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM427357;MM427357;C=NN1CC1C(C#N)CC;UZIZQIMVZLUERU-UHFFFAOYSA-N;137.19;0.84;;;;;DOPC;MDCG;27;0;"MARTINI bead: N0_SP2";;;;;;;0.06;;-2.21;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM427358;MM427358;C#CC1C=CC(CCN)=C1;NUJILPAPEWIQIV-UHFFFAOYSA-N;133.19;1.08;;;;;DOPC;MDCG;27;1;"MARTINI bead: SNd_SN0";;;;;;;1.17;;-3.79;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM427359;MM427359;C#Cc1ccc(C(C)C)[nH]1;CLDMTGMWTBFPJV-UHFFFAOYSA-N;133.19;2.12;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC4_SNd";;;;;;;2.2;;0.32;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM427360;MM427360;CC(C#N)=NNC1CC1;MZLWEZJIZUSWIV-UHFFFAOYSA-N;123.16;0.64;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_SP1";;;;;;;-0.79;;-3.13;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM427361;MM427361;CN1C(=N)CC2(C#N)CC12;GGZXWFDYKUQTJT-UHFFFAOYSA-N;135.17;0.58;;;;;DOPC;MDCG;27;1;"MARTINI bead: SNd_SP1";;;;;;;0.04;;-6.61;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM427362;MM427362;C=CC1(COCCO)CC1;PRTOKFNJZWEHAD-UHFFFAOYSA-N;142.2;0.96;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_SC4";;;;;;;1.09;;-0.38;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM427363;MM427363;C=CC(CN)C1CN1N=C;JMNUHTNBWHNXMD-UHFFFAOYSA-N;139.2;0.05;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_SP2";;;;;;;-0.24;;-5.57;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM427364;MM427364;C#CC1C=CC(CNC)=C1;CRGDIKIMLSSGIM-UHFFFAOYSA-N;133.19;0.95;;;;;DOPC;MDCG;27;1;"MARTINI bead: SNd_SN0";;;;;;;1.17;;-3.37;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM427365;MM427365;C#Cc1ccc(C(C)O)[nH]1;FIALVKOYRJCLIL-UHFFFAOYSA-N;135.17;1.05;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNda_SNd";;;;;;;0.87;;-1.92;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM427366;MM427366;CC=NN=CC(C#N)OC;PIEUCGCYQPJRMU-UHFFFAOYSA-N;139.16;0.6;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_C5";;;;;;;0.81;;-0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM427367;MM427367;CCC1(O)CC2C(C)C2C1;PFWCTIUDIHVSDF-UHFFFAOYSA-N;140.23;1.8;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC5_SC5";;;;;;;2.41;;0.64;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM427368;MM427368;C=CC12CC(=N)N(N)C1C2;OYMZVWMGJKWTRR-UHFFFAOYSA-N;137.19;0.49;;;;;DOPC;MDCG;27;1;"MARTINI bead: SP2_SP1";;;;;;;-1.06;;-6.39;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM427369;MM427369;CCCOCC1(C=O)CC1;HWUXIJXOIWORPK-UHFFFAOYSA-N;142.2;1.39;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_SNa";;;;;;;0.87;;-2.22;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM427370;MM427370;C#CC1C=CC(OCC)=C1;NFKGOVHZNLGRJN-UHFFFAOYSA-N;134.18;1.73;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC5_SN0";;;;;;;1.94;;0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM427371;MM427371;Cc1ncn(N)c(=NN)n1;VNZBLTAIWLWABJ-UHFFFAOYSA-N;140.15;-1.93;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP1_SP3";;;;;;;-1.93;;-4.72;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM427372;MM427372;CC=CC=CN(C=N)CC;BMWPVHUCICGPMV-UHFFFAOYSA-N;138.21;2.01;;;;;DOPC;MDCG;27;1;"MARTINI bead: P2_C1";;;;;;;1.8;;-2.47;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM427373;MM427373;C=CC12CC(=O)N(N)C1C2;DTNKDVSDWWPUIS-UHFFFAOYSA-N;138.17;0.04;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP2_SP1";;;;;;;-1.06;;-3.82;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM427374;MM427374;C=CC(CF)C1CN1N=C;AIKVOWQGZQFACX-UHFFFAOYSA-N;142.18;1.06;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_SP2";;;;;;;0.54;;-1.09;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM427375;MM427375;CCCOCC1(C#N)CC1;ZKYLPGDXMSVIIZ-UHFFFAOYSA-N;139.2;1.72;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_SN0";;;;;;;1.17;;-1.18;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM427376;MM427376;C#Cc1ccc(C(C)C)o1;LKKLTNPLJIVHAM-UHFFFAOYSA-N;134.18;2.38;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC4_SN0";;;;;;;2.5;;0.44;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM427377;MM427377;C#CC1C=CC(CC=C)=C1;OODJQKZLTRNHLB-UHFFFAOYSA-N;130.19;2.31;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC4_SN0";;;;;;;2.5;;0.44;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM427378;MM427378;CCN(C=N)C=CC=CF;YUXJRKCNUDROLE-UHFFFAOYSA-N;142.18;1.91;;;;;DOPC;MDCG;27;1;"MARTINI bead: P2_C4";;;;;;;1.09;;-3.86;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM427379;MM427379;C=NN1CC1C(C#N)NC;RLZDCCNNQLDUQF-UHFFFAOYSA-N;138.17;-0.6;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_SP2";;;;;;;-1.34;;-4.31;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM427380;MM427380;C=CC12CC(=N)N(O)C1C2;HQIVWQKJOLJIMZ-UHFFFAOYSA-N;138.17;1;;;;;DOPC;MDCG;27;1;"MARTINI bead: SP2_SP1";;;;;;;-1.06;;-4.93;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM427381;MM427381;N#CC1(COCCO)CC1;SDJOYWZXZISMKA-UHFFFAOYSA-N;141.17;0.3;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_SN0";;;;;;;0.06;;-2.21;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM427382;MM427382;C#Cc1ncc(C(C)C)o1;JZMOIXDMZFWSBJ-UHFFFAOYSA-N;135.17;1.78;;;;;DOPC;MDCG;27;0;"MARTINI bead: SN0_SNa";;;;;;;1.17;;-1.18;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM427383;MM427383;C#CC1C=CC(CC#N)=C1;FDBRPIQCMOBVKF-UHFFFAOYSA-N;129.16;1.65;;;;;DOPC;MDCG;27;0;"MARTINI bead: SN0_SC5";;;;;;;1.94;;0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM427384;MM427384;CC=CC=CN(C=O)CC;OKGDEWNWMIJKLL-UHFFFAOYSA-N;139.2;1.55;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_C2";;;;;;;2;;0.29;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM427385;MM427385;C=CC12CC1N(C)C(=N)N2;AQVOCOISLQYYMA-UHFFFAOYSA-N;137.19;0.15;;;;;DOPC;MDCG;27;1;"MARTINI bead: SP1_SP2";;;;;;;-1.06;;-7.99;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM427386;MM427386;C=CC(OC)C1CN1N=C;MRCGXYBNYQHWJD-UHFFFAOYSA-N;140.19;0.49;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_SP2";;;;;;;-0.24;;-3.24;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM427387;MM427387;C=CC1(COCOC)CC1;CNAPXJVOHIUEOP-UHFFFAOYSA-N;142.2;1.57;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_SC4";;;;;;;1.37;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM427388;MM427388;C#Cc1cnc(C(C)C)o1;ZBDWLKSMQUABMD-UHFFFAOYSA-N;135.17;1.78;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC5_SN0";;;;;;;1.94;;0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM427389;MM427389;C#CC1C=CC(NC=N)=C1;WQASSZLPAPNQLC-UHFFFAOYSA-N;132.17;0.89;;;;;DOPC;MDCG;27;1;"MARTINI bead: SNd_SN0";;;;;;;1.17;;-4.28;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM427390;MM427390;CN1C(=N)NC2(C#N)CC12;OGGAZDHRXJROME-UHFFFAOYSA-N;136.16;-0.51;;;;;DOPC;MDCG;27;1;"MARTINI bead: SP1_SP2";;;;;;;-1.06;;-4.84;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM427391;MM427391;C=CC(CF)N=CNN=C;SGZBSIYWZUGGCQ-UHFFFAOYSA-N;143.17;0.74;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_P2";;;;;;;0.54;;-1.09;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM427392;MM427392;CCN(C=O)C=CC=CF;FAEPFPZHRFZKHZ-UHFFFAOYSA-N;143.16;1.46;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_C4";;;;;;;1.37;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM427393;MM427393;COCOCC1(C=O)CC1;HCPCKNUBZJPBHW-UHFFFAOYSA-N;144.17;0.59;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_SNa";;;;;;;0.04;;-2.54;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM427394;MM427394;C=CC12CC1N(N)C(=N)N2;LVFISOUKASOEOR-UHFFFAOYSA-N;138.17;-0.6;;;;;DOPC;MDCG;27;1;"MARTINI bead: SP2_SP2";;;;;;;-1.34;;-7.75;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM427395;MM427395;C=C(C)C1=CC=C(CC)C1;RQGGGEXFYXITHC-UHFFFAOYSA-N;134.22;3.23;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC3_SC3";;;;;;;4.27;;0.2;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM427396;MM427396;C#CC1C=CC(NC=O)=C1;FKQARSJGJYFDMB-UHFFFAOYSA-N;133.15;0.44;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNda_SN0";;;;;;;1.17;;-1.13;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM427397;MM427397;C=CC(CC)N1CC1C=C;HBFZCXSMYVNKTK-UHFFFAOYSA-N;137.23;1.82;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nd_SP1";;;;;;;0.04;;-2.63;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM427398;MM427398;CCC12C=CC(=O)C1N2;LWOWHKQGNKUFJM-UHFFFAOYSA-N;123.16;0.25;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNd_SNa";;;;;;;0.87;;-1.88;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM427399;MM427399;COCOCC1(C#N)CC1;UVNGYAOPTYXTTQ-UHFFFAOYSA-N;141.17;0.91;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_SN0";;;;;;;0.34;;-1.53;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM427400;MM427400;C#CC1C=CC(OC=C)=C1;ZOUBUACYPINSQP-UHFFFAOYSA-N;132.16;1.85;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC4_SN0";;;;;;;2.5;;0.44;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM427401;MM427401;C=C(C)C1=CC=C(CN)C1;UYPIXLAYSPSEEP-UHFFFAOYSA-N;135.21;1.78;;;;;DOPC;MDCG;27;1;"MARTINI bead: SC3_SNd";;;;;;;2.57;;-0.95;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM427402;MM427402;C=CC12CC(=C)C(N)C1O2;HIQQOJIOCCJODK-UHFFFAOYSA-N;137.18;0.6;;;;;DOPC;MDCG;27;1;"MARTINI bead: SNd_SNa";;;;;;;0.87;;-3.63;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM427403;MM427403;CC=CC=CN(C=N)NC;JZJIAKOWTYMGNO-UHFFFAOYSA-N;139.2;1.12;;;;;DOPC;MDCG;27;1;"MARTINI bead: P4_C2";;;;;;;0.77;;-3.15;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM427404;MM427404;C=CC1CN1C(C#N)CC;OZUCROYZKKQXCA-UHFFFAOYSA-N;136.2;1.16;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_SP1";;;;;;;-0.79;;-3.13;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM427405;MM427405;C=CC1(NCCCC)CC1;MUTWTAFWPLYHCH-UHFFFAOYSA-N;139.24;2.09;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_SC4";;;;;;;2.2;;-1.73;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM427406;MM427406;C#CC1C=CC(=NC=C)N1;UBAXCKZHTXPQRG-UHFFFAOYSA-N;132.17;0.69;;;;;DOPC;MDCG;27;1;"MARTINI bead: SNd_SP1";;;;;;;0.04;;-3.86;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM427407;MM427407;C=C(C)C1=CC=C(CO)C1;ZXRLWNUHPXKMMS-UHFFFAOYSA-N;136.19;1.81;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC3_SNda";;;;;;;2.57;;0.44;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM427408;MM427408;C=NN=CC(CF)=NN;WSTHZELPBNLXTF-UHFFFAOYSA-N;130.13;-0.04;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_N0";;;;;;;0.34;;-1.53;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM427409;MM427409;CC=CC=CN(C=O)NC;ZKGUGRSPFMWOLY-UHFFFAOYSA-N;140.19;0.67;;;;;DOPC;MDCG;27;0;"MARTINI bead: P4_C1";;;;;;;0.85;;-0.64;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM427410;MM427410;C=CC(CN)N1CC1C=C;UISPQWNRKJABPI-UHFFFAOYSA-N;138.21;0.37;;;;;DOPC;MDCG;27;1;"MARTINI bead: P3_SP1";;;;;;;-1.93;;-6.64;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM427411;MM427411;C=CC1(NCCCN)CC1;WEVKDVZNOMSSMC-UHFFFAOYSA-N;140.23;0.64;;;;;DOPC;MDCG;27;1;"MARTINI bead: P3_SC4";;;;;;;0.23;;-3.56;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM427412;MM427412;C#CCC1=CC(C#C)C=C1;IKZOVXYDXIKJIJ-UHFFFAOYSA-N;128.17;1.76;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC4_SN0";;;;;;;2.5;;0.44;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM427413;MM427413;C=C(C)C1=CC=C(CF)C1;YZSHLFBLCCLRKP-UHFFFAOYSA-N;138.19;2.79;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC3_SC5";;;;;;;3.34;;0.48;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM427414;MM427414;CN1C(=N)CC2(C#N)CN12;GSEKVACQCZNBGL-UHFFFAOYSA-N;136.16;-0.21;;;;;DOPC;MDCG;27;1;"MARTINI bead: SP3_SP2";;;;;;;-2.2;;-7.57;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM427415;MM427415;CON(C=O)C=CC=CF;CLCRIBADKKNXEW-UHFFFAOYSA-N;145.13;1;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_C4";;;;;;;1.09;;-0.38;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM427416;MM427416;CCCCNC1(C=O)CC1;MRARORRGSQHLGV-UHFFFAOYSA-N;141.21;1.11;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_SNa";;;;;;;0.87;;-2.93;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM427417;MM427417;C=NNC=NC(=CC)CF;AKAZESZZHYYCQZ-UHFFFAOYSA-N;143.17;1.09;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4_P2";;;;;;;1.09;;-0.38;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM427418;MM427418;CC=CC1=CC(CC)C=C1;KXSNIDPDQWYBMB-UHFFFAOYSA-N;134.22;3.08;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC3_SC3";;;;;;;4.27;;0.2;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM427419;MM427419;N#CC1=NNC(C#N)C1;AWLDOLPLVHQSKJ-UHFFFAOYSA-N;120.12;-0.25;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP1_SP1";;;;;;;-0.79;;-3.13;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM427420;MM427420;C=C(C)C1=CC=C(OC)C1;QNFQEEIEBNUAQW-UHFFFAOYSA-N;136.19;2.42;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC5_SC3";;;;;;;3.34;;0.48;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM427421;MM427421;CON(C=O)C=CC=NO;YWYFOGTWYMAKCJ-UHFFFAOYSA-N;144.13;-0.02;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_Nda";;;;;;;-0.24;;-3.31;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM427422;MM427422;C=CC(CC)N1CC1C#N;NAGZHHHRBBBHBV-UHFFFAOYSA-N;136.2;1.16;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nd_SP2";;;;;;;-0.24;;-3.16;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM427423;MM427423;COC=NNCC1CC1C;KIJKQXXYPJBJLF-UHFFFAOYSA-N;142.2;0.82;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_SC5";;;;;;;0.81;;-0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM427424;MM427424;CC=CC1=CC(CN)C=C1;LSMXAZUNHJNVFG-UHFFFAOYSA-N;135.21;1.63;;;;;DOPC;MDCG;27;1;"MARTINI bead: SC3_SNd";;;;;;;2.57;;-1.45;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM427425;MM427425;C=C(C)c1ccc(CC)[nH]1;BTYAMVXTMMKWHH-UHFFFAOYSA-N;135.21;2.61;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC5_SC5";;;;;;;2.41;;0.64;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM427426;MM427426;CCC1CN1C(C)C=O;NSLQESPZZSDKCQ-UHFFFAOYSA-N;127.19;0.67;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP1_P2";;;;;;;-1.06;;-3.82;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM427427;MM427427;C#CC12CC(=N)N(C)C1C2;GOZLJLHLOXEMRE-UHFFFAOYSA-N;134.18;0.69;;;;;DOPC;MDCG;27;1;"MARTINI bead: SNd_SN0";;;;;;;1.17;;-5.14;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM427428;MM427428;CCC(C#N)N1CC1C#N;MEQDQLASWOBWIK-UHFFFAOYSA-N;135.17;0.5;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_SP2";;;;;;;-1.06;;-3.82;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM427429;MM427429;C=CC1(NCCNC)CC1;HAAIWMGOPNMCRQ-UHFFFAOYSA-N;140.23;0.51;;;;;DOPC;MDCG;27;1;"MARTINI bead: P3_SC4";;;;;;;0.23;;-3.21;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM427430;MM427430;CCN(C=O)C=NC=NO;IFFBUCVNWZIZCZ-UHFFFAOYSA-N;143.15;-0.09;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_P1";;;;;;;-0.79;;-3.13;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM427431;MM427431;CC=CC1=CC(CO)C=C1;GXEORGAWSNKYBD-UHFFFAOYSA-N;136.19;1.67;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC3_SNda";;;;;;;2.57;;0.44;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM427432;MM427432;C=C(C)c1ccc(CN)[nH]1;QAKHNHNKCUMTHO-UHFFFAOYSA-N;136.2;1.51;;;;;DOPC;MDCG;27;1;"MARTINI bead: SC5_SP1";;;;;;;0.81;;-1.92;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM427433;MM427433;C#CC12CC(=O)N(C)C1C2;DXLXCWGHOAURMB-UHFFFAOYSA-N;135.17;0.24;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP1_SN0";;;;;;;0.34;;-1.53;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM427434;MM427434;C=CC1CN1N(C=N)CC;PFFTYRIXGNGCQF-UHFFFAOYSA-N;139.2;0.7;;;;;DOPC;MDCG;27;1;"MARTINI bead: P2_SP1";;;;;;;-1.06;;-6.23;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM427435;MM427435;COCCNC1(C#N)CC1;BWURKZVOEZADII-UHFFFAOYSA-N;140.19;0.28;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_SP2";;;;;;;-0.24;;-3.24;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM427436;MM427436;C=CN(C=NN=CC)CC;ALHICVYOFXWWCO-UHFFFAOYSA-N;139.2;1.49;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nd_C5";;;;;;;1.64;;0.02;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM427437;MM427437;C=C(C)c1ccc(CO)[nH]1;MCQDWFSRRHLFBE-UHFFFAOYSA-N;137.18;1.54;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC5_SNda";;;;;;;1.64;;0.05;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM427438;MM427438;CC=CC1=CC(CF)C=C1;GYUQWINCZVGZNU-UHFFFAOYSA-N;138.19;2.64;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC3_SC5";;;;;;;3.34;;0.48;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM427439;MM427439;C#CC12CC(=N)N(N)C1C2;WEEIRXIJWOMCTE-UHFFFAOYSA-N;135.17;-0.07;;;;;DOPC;MDCG;27;1;"MARTINI bead: SP2_SN0";;;;;;;0.06;;-4.42;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM427440;MM427440;C=CC1CN1N(C=O)CC;CSNPGOHNHJKUIW-UHFFFAOYSA-N;140.19;0.25;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_SP1";;;;;;;-1.06;;-3.82;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM427441;MM427441;C=CC1(OCCCC)CC1;AYNQITXSGHKHPH-UHFFFAOYSA-N;140.23;2.52;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1_SNa";;;;;;;2.91;;0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM427442;MM427442;CCC=CC=COC=NN;VCTQXDUZLCMTTR-UHFFFAOYSA-N;140.19;1.38;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1_P1";;;;;;;2.08;;0.48;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM427443;MM427443;C=C(C)c1ccc(CF)[nH]1;FZXJYSJDQAWRPG-UHFFFAOYSA-N;139.17;2.52;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC5_SNda";;;;;;;1.64;;0.05;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM427444;MM427444;CC=NN=CN(C=O)CC;UGSAHHQLIFWRLK-UHFFFAOYSA-N;141.17;0.5;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_C5";;;;;;;0.81;;-0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM427445;MM427445;C#CC12CC(=O)N(N)C1C2;CLPCVLYOICVFPR-UHFFFAOYSA-N;136.15;-0.52;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP2_SN0";;;;;;;0.06;;-2.21;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM427446;MM427446;CCN(C=N)N1CC1C=O;KDTUTZDLPIXGCD-UHFFFAOYSA-N;141.17;-0.29;;;;;DOPC;MDCG;27;1;"MARTINI bead: P2_SP2";;;;;;;-1.34;;-6.7;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM427447;MM427447;C=CC1(OCCCN)CC1;BAYRJUYYDXFLHS-UHFFFAOYSA-N;141.21;1.07;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_SNa";;;;;;;0.87;;-4.61;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM427448;MM427448;COC=CC=COC=NN;JGIMZEMGMAOIFA-UHFFFAOYSA-N;142.16;0.58;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_Nda";;;;;;;0.87;;-1.99;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM427449;MM427449;Cc1cnn(C)c(=NN)n1;UUJMUMFPXZTKGT-UHFFFAOYSA-N;139.16;-1.1;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP2_SP2";;;;;;;-1.34;;-4.31;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM427450;MM427450;C=NN(C=NC=NC)CC;BJNBFFOVHMAMOK-UHFFFAOYSA-N;140.19;0.61;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_N0";;;;;;;0.34;;-1.53;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM427451;MM427451;CCN(C=O)N1CC1C=O;NXHRUIXLFNFDFN-UHFFFAOYSA-N;142.16;-0.74;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_SP2";;;;;;;-1.34;;-4.31;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM427452;MM427452;C#CC12CC1N(C)C(=N)N2;FUNFMPARXDCQMT-UHFFFAOYSA-N;135.17;-0.4;;;;;DOPC;MDCG;27;1;"MARTINI bead: SP1_SP2";;;;;;;-1.06;;-7.34;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM427453;MM427453;C=CC1(OCCCF)CC1;DQNNIYCJEGEOQV-UHFFFAOYSA-N;144.19;2.08;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4_SNa";;;;;;;2.2;;0.34;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM427454;MM427454;CC=CC1=CC(NC)C=C1;KSUBVKOJWRWUAQ-UHFFFAOYSA-N;135.21;1.65;;;;;DOPC;MDCG;27;1;"MARTINI bead: SNd_SC3";;;;;;;2.57;;-0.38;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM427455;MM427455;C#CC(CC)C1CC1C=C;WWYATQPPDSRAOI-UHFFFAOYSA-N;134.22;2.47;;;;;DOPC;MDCG;27;0;"MARTINI bead: C3_SC4";;;;;;;3.9;;0.47;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM427456;MM427456;C=C(C)c1ccc(OC)[nH]1;MXFVXGGTQKKNLF-UHFFFAOYSA-N;137.18;2.06;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNda_SC5";;;;;;;1.64;;0.05;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM427457;MM427457;CCCCOC1(C=O)CC1;DGIHWMGTVLDAOL-UHFFFAOYSA-N;142.2;1.53;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1_SP2";;;;;;;1.8;;0.4;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM427458;MM427458;C=NN(C=NN=CC)CC;BGXOHXMLMLSJJL-UHFFFAOYSA-N;140.19;0.96;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_C5";;;;;;;0.81;;-0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM427459;MM427459;C#CC12CC1N(N)C(=N)N2;JFRFEEMGHVILRD-UHFFFAOYSA-N;136.16;-1.16;;;;;DOPC;MDCG;27;1;"MARTINI bead: SP2_SP2";;;;;;;-1.34;;-7.03;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM427460;MM427460;CC=CC1=CC(OC)C=C1;UMXWMZTVMLVZTF-UHFFFAOYSA-N;136.19;2.07;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNa_SC3";;;;;;;2.57;;0.45;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM427461;MM427461;C=CNC1=NCC(C#N)N1;YVVJOGPZBVUZPM-UHFFFAOYSA-N;136.16;-0.43;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP1_SP1";;;;;;;-0.79;;-3.13;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM427462;MM427462;Cn1ncc(F)nc1=NN;XBOSTSKTXXRFFR-UHFFFAOYSA-N;143.13;-1.27;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP2_SP2";;;;;;;-1.34;;-4.31;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM427463;MM427463;CNN(C=N)C=NC=NO;NTAWWDXQQYWTSR-UHFFFAOYSA-N;143.15;-0.52;;;;;DOPC;MDCG;27;0;"MARTINI bead: P4_P1";;;;;;;-2.01;;-5.13;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM427464;MM427464;CCCCOC1(C#N)CC1;XDYIXLONTRTQHL-UHFFFAOYSA-N;139.2;1.86;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1_SP2";;;;;;;1.8;;0.4;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM427465;MM427465;C#CC12CC1N(O)C(=N)N2;DSIVLPKOXOMSIS-UHFFFAOYSA-N;137.14;-0.64;;;;;DOPC;MDCG;27;1;"MARTINI bead: SP2_SP2";;;;;;;-1.34;;-5.44;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM427466;MM427466;CC=Cc1ccn(CC)c1;VYCJLRPGEOPKQB-UHFFFAOYSA-N;135.21;2.54;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC5_SC5";;;;;;;2.41;;0.64;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM427467;MM427467;C=Nn1ncc(N)cc1=O;ULHYSABOIBUOGW-UHFFFAOYSA-N;138.13;-0.71;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP1_SP2";;;;;;;-1.06;;-3.82;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM427468;MM427468;CN=CN=CN(C=O)NC;RVJDUKLTHCRLOQ-UHFFFAOYSA-N;142.16;-0.73;;;;;DOPC;MDCG;27;0;"MARTINI bead: P4_N0";;;;;;;-0.88;;-3.74;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM427470;MM427470;C#CC12CC(=N)N(C)N1C2;UGCMECDJFCTLBP-UHFFFAOYSA-N;135.17;-0.1;;;;;DOPC;MDCG;27;1;"MARTINI bead: SP3_SP3";;;;;;;-3.07;;-8.58;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM427469;MM427469;O=CC1(OCCCO)CC1;LEKLRNCFNOHTGI-UHFFFAOYSA-N;144.17;0.12;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda_SP2";;;;;;;-0.24;;-3.31;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM427471;MM427471;C=C(C)c1cnc(OC)[nH]1;OXHHVIAMUZUTFC-UHFFFAOYSA-N;138.17;1.45;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNda_SNd";;;;;;;0.87;;-1.92;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM427472;MM427472;CCn1ccc(C=NN)c1;JFJKGVMCLFHXIE-UHFFFAOYSA-N;137.19;0.8;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC5_SNd";;;;;;;1.64;;0.02;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM427473;MM427473;C#CC(=O)C1CN1CC;KWBGZYPOPKLLND-UHFFFAOYSA-N;123.16;-0.11;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNd_P1";;;;;;;0.04;;-2.63;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM427474;MM427474;C#CC(CF)C1CC1C#N;IMWDILJDKRSEOT-UHFFFAOYSA-N;137.16;1.36;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_SN0";;;;;;;1.17;;-1.18;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM427475;MM427475;N#CC1(OCCCO)CC1;AHNUDYKNOKJYIA-UHFFFAOYSA-N;141.17;0.44;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda_SP2";;;;;;;-0.24;;-3.31;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM427476;MM427476;C=C(C)c1ccc(CC)o1;PAUBOFBKNGETCK-UHFFFAOYSA-N;136.19;2.88;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC4_SC4";;;;;;;3.53;;0.53;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM427477;MM427477;C#CC12CC(=O)N(C)N1C2;UBAXQILUELXIPD-UHFFFAOYSA-N;136.15;-0.55;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP3_SP3";;;;;;;-3.07;;-6.15;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM427478;MM427478;CC=Cc1ccn(NC)c1;RQROFHJSLLTASV-UHFFFAOYSA-N;136.2;1.69;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNd_SC5";;;;;;;1.64;;0.02;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM427479;MM427479;C#CC(NC)C1CC1C=C;BWGKNZPTEHAMKY-UHFFFAOYSA-N;135.21;1.03;;;;;DOPC;MDCG;27;1;"MARTINI bead: P2_SC4";;;;;;;1.09;;-2.39;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM427480;MM427480;O=CC1(OCCCF)CC1;GSAIHSMYKLPHER-UHFFFAOYSA-N;146.16;1.09;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4_SP2";;;;;;;1.09;;-0.38;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM427481;MM427481;CNN(C=O)C=NC=NO;RCBDZCQPDPPRJM-UHFFFAOYSA-N;144.13;-0.98;;;;;DOPC;MDCG;27;0;"MARTINI bead: P4_P1";;;;;;;-2.01;;-5.13;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM427482;MM427482;C=C(C)c1ccc(CO)o1;LHCNGHWMULSFOP-UHFFFAOYSA-N;138.17;1.81;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC4_SNda";;;;;;;2.2;;0.49;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM427483;MM427483;C=C1C(C)CC2(CC)CC12;XCPSFXFPPBQORH-UHFFFAOYSA-N;136.24;3;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC2_SC3";;;;;;;4.53;;0.32;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM427484;MM427484;CNn1ccc(C=NN)c1;WAGFNVWZNXVUMU-UHFFFAOYSA-N;138.17;-0.05;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNd_SNd";;;;;;;0.87;;-2.11;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM427485;MM427485;C=CN(C=NC=NC)OC;VPAHAGBWIMPHNB-UHFFFAOYSA-N;141.17;0.68;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_N0";;;;;;;0.34;;-1.53;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM427486;MM427486;CNCCOC1(C=O)CC1;MLMNLZANDHGODE-UHFFFAOYSA-N;143.19;-0.05;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_SP2";;;;;;;-0.24;;-5.33;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM427487;MM427487;C#CC(NC)C1CC1C=O;FZZHVATVHBMYIP-UHFFFAOYSA-N;137.18;0.04;;;;;DOPC;MDCG;27;1;"MARTINI bead: P2_SNa";;;;;;;-0.24;;-4.99;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM427488;MM427488;C=C(C)c1ccc(CF)o1;LHWVKNLIRFEGBG-UHFFFAOYSA-N;140.16;2.78;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC4_SC5";;;;;;;2.97;;0.45;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM427489;MM427489;C=C1C(C)CC2(CN)CC12;FWVWVNHUKOQIEZ-UHFFFAOYSA-N;137.23;1.55;;;;;DOPC;MDCG;27;1;"MARTINI bead: SNd_SC3";;;;;;;2.57;;-1.2;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM427490;MM427490;CC=Cc1ccn(OC)c1;YYMPNEGYCCIDNB-UHFFFAOYSA-N;137.18;1.58;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNa_SC5";;;;;;;1.64;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM427491;MM427491;CN=CN=CN(C=N)OC;NNRXGPRKTJROHY-UHFFFAOYSA-N;142.16;0.14;;;;;DOPC;MDCG;27;0;"MARTINI bead: P3_N0";;;;;;;-0.8;;-2.99;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM427492;MM427492;CNCCOC1(C#N)CC1;AMGCAAFTVBDOCB-UHFFFAOYSA-N;140.19;0.28;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_SP2";;;;;;;-0.24;;-5.43;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM427493;MM427493;C=C(C)c1ccc(NC)o1;DZEXAKQBXNFVFC-UHFFFAOYSA-N;137.18;2.35;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNd_SC4";;;;;;;2.2;;0.32;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM427494;MM427494;C#CC(OC)C1CC1C#N;PBVQWHSUEXEAAX-UHFFFAOYSA-N;135.17;0.79;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_SN0";;;;;;;1.17;;-1.18;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM427495;MM427495;C=C1CC(C)(C)CC1(C)O;OYWZXBHVGJQVSD-UHFFFAOYSA-N;140.23;2.11;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC2_SNda";;;;;;;2.83;;0.57;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM427496;MM427496;COn1ccc(C=NN)c1;SMTUSVDDFOHZEZ-UHFFFAOYSA-N;139.16;-0.16;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNa_SNd";;;;;;;0.87;;-1.88;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM427497;MM427497;C#CC(=O)C1C(C)N1C;ZPQZLPHIOMDDDA-UHFFFAOYSA-N;123.16;-0.11;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNd_P1";;;;;;;0.04;;-2.63;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM427498;MM427498;C=C(C)c1ccc(OC)o1;VCNOVCFLRHIWIG-UHFFFAOYSA-N;138.17;2.32;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNa_SC4";;;;;;;2.2;;0.34;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM427499;MM427499;COCCOC1(C=O)CC1;CXHRBWWVHRKSJR-UHFFFAOYSA-N;144.17;0.38;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_SP2";;;;;;;-0.24;;-3.24;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM427500;MM427500;C#CC(CN)C1NC1C=C;OGRPVBNFQFHEIP-UHFFFAOYSA-N;136.2;-0.28;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_SP1";;;;;;;0.04;;-4.76;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM427501;MM427501;C=C1C(C)CC2(CF)CC12;OXNNZEPZVNFCKH-UHFFFAOYSA-N;140.2;2.56;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC5_SC3";;;;;;;3.34;;0.48;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM427502;MM427502;CC=Cc1cnn(CC)c1;OCOOGFWVOIFRFB-UHFFFAOYSA-N;136.2;1.94;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNa_SN0";;;;;;;1.17;;-1.18;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM427503;MM427503;CON(C=O)C=NC=NO;GKPFUWYBWMMDMG-UHFFFAOYSA-N;145.12;-0.55;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_P1";;;;;;;-1.06;;-3.82;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM427504;MM427504;C=C(C)c1ncc(CC)o1;KFTKBSWHGGXLNL-UHFFFAOYSA-N;137.18;2.27;;;;;DOPC;MDCG;27;0;"MARTINI bead: SN0_SC5";;;;;;;1.94;;0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM427505;MM427505;COCCOC1(C#N)CC1;KEJIWDOMDSSTQI-UHFFFAOYSA-N;141.17;0.71;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_SP2";;;;;;;-0.24;;-3.24;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM427506;MM427506;C=Nn1onc(NN)c1=N;YPINOMIUFDPMEI-UHFFFAOYSA-N;142.12;-1.3;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP1_SP3";;;;;;;-1.93;;-4.72;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM427507;MM427507;C=C1C(N)CC2(CC)CC12;IOMGCPLQVDYJPK-UHFFFAOYSA-N;137.23;1.69;;;;;DOPC;MDCG;27;1;"MARTINI bead: SC2_SNd";;;;;;;2.83;;-0.46;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM427508;MM427508;CC=Cc1cnn(NC)c1;FOCRWYISEUVOAS-UHFFFAOYSA-N;137.19;1.09;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP1_SN0";;;;;;;0.34;;-1.53;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM427509;MM427509;C=CN(C=NN=CC)OC;FIFJHYDGOCLKIU-UHFFFAOYSA-N;141.17;1.03;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_C5";;;;;;;0.81;;-0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM427510;MM427510;C=CC1(OCOCC)CC1;ZFPVFHFOJKFYEF-UHFFFAOYSA-N;142.2;1.72;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_SNa";;;;;;;0.87;;-2.22;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM427511;MM427511;C=CC1=CC=C(C(=C)C)C1;LEVDAHNRUNNSFM-UHFFFAOYSA-N;132.21;3.01;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC3_SC4";;;;;;;3.9;;0.47;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM427512;MM427512;CC1NN=CC1F;CIBGYQSYWJAWSA-UHFFFAOYSA-N;102.11;0.3;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP1_SP1";;;;;;;-0.79;;-3.13;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM427513;MM427513;C=C1C(N)CC2(CN)CC12;HSTGZIDFJVUQPV-UHFFFAOYSA-N;138.21;0.24;;;;;DOPC;MDCG;27;1;"MARTINI bead: SNd_SNd";;;;;;;0.87;;-4.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM427514;MM427514;C=CC1(CCCCN)CN1;LUWGBRXUXYQGAK-UHFFFAOYSA-N;140.23;0.64;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_SP1";;;;;;;0.04;;-5.43;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM427515;MM427515;CC=NN=CN(C=O)OC;VBPLFSWJDZCEQL-UHFFFAOYSA-N;143.15;0.04;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_C5";;;;;;;0.54;;-1.09;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM427516;MM427516;CC=Cc1cnn(OC)c1;OULBXCVBCYFOCC-UHFFFAOYSA-N;138.17;0.97;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNa_SN0";;;;;;;1.17;;-1.18;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM427517;MM427517;C=C(C)C1=CC=C(C=O)C1;ZKWCWSXPUPULPH-UHFFFAOYSA-N;134.18;2.02;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC3_SNa";;;;;;;2.57;;0.45;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM427518;MM427518;C=NNC(=N)CC(F)F;DZMJDNGGAVPHFS-UHFFFAOYSA-N;135.12;0.82;;;;;DOPC;MDCG;27;0;"MARTINI bead: N0_P1";;;;;;;0.34;;-1.53;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM427519;MM427519;C=CC1(O)CCC(C)(C)C1;ASCYPCBZHXTNAM-UHFFFAOYSA-N;140.23;2.11;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC2_SC5";;;;;;;3.6;;0.34;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM427520;MM427520;CC=Cc1cn(CC)cn1;WYPIUOAKFVTGRQ-UHFFFAOYSA-N;136.2;1.94;;;;;DOPC;MDCG;27;0;"MARTINI bead: SN0_SNa";;;;;;;1.17;;-1.18;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM427521;MM427521;CC=CC=NN(C=N)CC;DGVZDQYOTNVVDN-UHFFFAOYSA-N;139.2;1.48;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_C2";;;;;;;1.72;;0.29;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM427522;MM427522;C=C(C)C1=CC=C(C#N)C1;ALJLGKVWEULTHR-UHFFFAOYSA-N;131.18;2.34;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC3_SN0";;;;;;;2.87;;0.37;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM427523;MM427523;CCCCCC1(C#N)CN1;HTNBFLWNQHYYPD-UHFFFAOYSA-N;138.21;1.43;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1_SP1";;;;;;;2.08;;0.48;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM427524;MM427524;C#CC(NC)C1NC1C=C;CACRVEUUKLPNJU-UHFFFAOYSA-N;136.2;-0.27;;;;;DOPC;MDCG;27;1;"MARTINI bead: P2_SP1";;;;;;;-1.06;;-4.83;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM427525;MM427525;C=C1C(O)CC2(CN)CC12;NVIDDWWHDPUPQC-UHFFFAOYSA-N;139.2;0.27;;;;;DOPC;MDCG;27;1;"MARTINI bead: SNd_SNda";;;;;;;0.87;;-4.09;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM427526;MM427526;CC=Cc1cn(NC)cn1;MORJBRADNHUSEY-UHFFFAOYSA-N;137.19;1.09;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP2_SNa";;;;;;;-0.24;;-3.24;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM427527;MM427527;CC=CC=NN(C=O)CC;BVZAWFOTPYQORC-UHFFFAOYSA-N;140.19;1.03;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_C2";;;;;;;1.72;;0.27;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM427528;MM427528;C=Cc1ccc(C(=C)C)[nH]1;WYWJSVZNWMICJT-UHFFFAOYSA-N;133.19;2.69;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC5_SN0";;;;;;;1.94;;0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM427529;MM427529;NN=COC=NN=CCF;PLHKDAJQBKAVII-UHFFFAOYSA-N;146.13;-0.11;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_C5";;;;;;;0.54;;-1.09;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM427530;MM427530;CCC12CC(C)C(=O)C1C2;HNBGAJFAFDHPIG-UHFFFAOYSA-N;138.21;2.01;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC2_SNa";;;;;;;2.83;;0.35;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM427531;MM427531;C#CC(OC)C1NC1C=C;XRJNKJDNUXIRDQ-UHFFFAOYSA-N;137.18;0.16;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_SP1";;;;;;;0.04;;-2.54;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM427532;MM427532;CC=Cc1cn(OC)cn1;LWFVPBDVMSJXII-UHFFFAOYSA-N;138.17;0.97;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP1_SNa";;;;;;;0.04;;-2.54;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM427533;MM427533;CCN(C=O)N=CC=CN;GEVPWKJGVBRBEF-UHFFFAOYSA-N;141.17;-0.08;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_Nd";;;;;;;-0.24;;-3.16;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM427534;MM427534;C=C(C)c1ccc(C#N)[nH]1;BQSRXDIDFRTUAM-UHFFFAOYSA-N;132.17;1.92;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC5_SNd";;;;;;;1.64;;0.02;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM427535;MM427535;O=CC1(CCCCF)CN1;ZLECNSMYSSGUSJ-UHFFFAOYSA-N;145.18;0.67;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4_SP2";;;;;;;1.09;;-0.37;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM427536;MM427536;C#CC(OC)C1NC1C#N;KVOGRWLKJOWQNN-UHFFFAOYSA-N;136.15;-0.5;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_SP2";;;;;;;-0.24;;-3.24;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM427537;MM427537;CC1CC2(CO)CC2C1=O;MODXGCOOHSECJY-UHFFFAOYSA-N;140.18;0.59;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNda_SNa";;;;;;;0.87;;-1.99;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM427538;MM427538;CC=Cc1cn(CC)nn1;RENOJVWKZIBUFS-UHFFFAOYSA-N;137.19;1.33;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNa_SNa";;;;;;;0.87;;-2.22;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM427539;MM427539;COC=NNCC1CN1;IZKBSDRFOQBFJA-UHFFFAOYSA-N;129.16;-0.86;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_SP1";;;;;;;-0.79;;-3.13;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM427540;MM427540;Cc1nnn(C)c(=NN)n1;PALFJHWESMILRS-UHFFFAOYSA-N;140.15;-1.71;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP2_SP3";;;;;;;-2.2;;-5.19;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM427541;MM427541;C=CC1(CCCNC)CN1;AIAGQTZTINELFI-UHFFFAOYSA-N;140.23;0.51;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_SP1";;;;;;;0.04;;-5.75;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM427542;MM427542;C#CC(CC)C1OC1C=O;NMCFNMGCTFJHDA-UHFFFAOYSA-N;138.17;0.61;;;;;DOPC;MDCG;27;0;"MARTINI bead: C3_SP2";;;;;;;1.46;;-0.15;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM427543;MM427543;CCC12CC(O)C(=O)C1C2;XNNKTGLKWRDFDG-UHFFFAOYSA-N;140.18;0.74;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC2_SP1";;;;;;;2;;0.29;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM427544;MM427544;CC=Cc1cn(NC)nn1;VFKRHNRXXWWDAQ-UHFFFAOYSA-N;138.17;0.48;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP2_SNa";;;;;;;-0.24;;-3.24;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM427545;MM427545;CCN(C=O)N=CC=NO;CJHWKSPQKPXBQB-UHFFFAOYSA-N;143.15;-0.09;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_P1";;;;;;;-1.06;;-3.82;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM427546;MM427546;C#CC(CO)C1OC1C=O;HJRMVMCLSZYRQJ-UHFFFAOYSA-N;140.14;-0.81;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda_SP2";;;;;;;-0.24;;-3.31;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM427547;MM427547;C=C1C(C)CC2(NC)CC12;QOFJZSUGCSISPT-UHFFFAOYSA-N;137.23;1.56;;;;;DOPC;MDCG;27;1;"MARTINI bead: SNd_SC3";;;;;;;2.57;;-1.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM427548;MM427548;C=C(C)c1c[nH]c(C=O)n1;UDVRNIYQMFSPGB-UHFFFAOYSA-N;136.15;1.26;;;;;DOPC;MDCG;27;0;"MARTINI bead: SN0_SP1";;;;;;;0.34;;-1.53;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM427549;MM427549;CNCCCC1(C#N)CN1;VJWVPPICOYIIPY-UHFFFAOYSA-N;139.2;-0.15;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_SP1";;;;;;;0.04;;-5.75;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM427550;MM427550;CC=Cc1cn(OC)nn1;JZJUWXDKRFLJOI-UHFFFAOYSA-N;139.16;0.37;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP1_SNa";;;;;;;0.04;;-2.54;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM427551;MM427551;C#CC(C=CC=CC)CC;NOQOPJJMHYLHHJ-UHFFFAOYSA-N;134.22;2.78;;;;;DOPC;MDCG;27;0;"MARTINI bead: C3_C1";;;;;;;4.61;;0.31;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM427552;MM427552;C=C1C(N)CC2(NC)CC12;DKMVBEYLJHFVDH-UHFFFAOYSA-N;138.21;0.25;;;;;DOPC;MDCG;27;1;"MARTINI bead: SNd_SNd";;;;;;;0.87;;-4.73;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM427553;MM427553;C#CC(CC)C1CN1C=N;YVZRPPKQELLUJR-UHFFFAOYSA-N;136.2;0.94;;;;;DOPC;MDCG;27;1;"MARTINI bead: C3_SP2";;;;;;;1.46;;-2.93;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM427554;MM427554;C=C(C)c1c[nH]c(C#N)n1;ODBCAOTUZPPBLU-UHFFFAOYSA-N;133.15;1.31;;;;;DOPC;MDCG;27;0;"MARTINI bead: SN0_SNda";;;;;;;1.17;;-1.13;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM427555;MM427555;COCCCC1(C#N)CN1;SZTGFPQZUGSXGN-UHFFFAOYSA-N;140.19;0.28;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_SP1";;;;;;;0.04;;-2.54;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM427556;MM427556;CC=Cc1ccn(CC)n1;VWRWRLWVUDCVMV-UHFFFAOYSA-N;136.2;1.94;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNa_SN0";;;;;;;1.17;;-1.18;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM427557;MM427557;C#CC(C=CC=CF)CC;IDFGQMIEDIFAAP-UHFFFAOYSA-N;138.19;2.69;;;;;DOPC;MDCG;27;0;"MARTINI bead: C2_C4";;;;;;;4.16;;0.44;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM427558;MM427558;C#CC(CN)C1CN1C=N;QDBXJUYKDOSHAW-UHFFFAOYSA-N;137.19;-0.51;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_SP2";;;;;;;-0.24;;-6.07;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM427559;MM427559;CN(CC(=O)O)N=CC#N;IONKMRDLFJEXAX-UHFFFAOYSA-N;141.13;-0.49;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_P1";;;;;;;-0.79;;-8.25;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM427560;MM427560;CNC12CC(C)C(=O)C1C2;LHLVFZVMVULURQ-UHFFFAOYSA-N;139.2;0.57;;;;;DOPC;MDCG;27;1;"MARTINI bead: SNd_SNa";;;;;;;0.87;;-4.05;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM427561;MM427561;C=CC1(CCNCC)CN1;HBYRNCUKGQORRD-UHFFFAOYSA-N;140.23;0.51;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_SP1";;;;;;;0.04;;-5.48;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM427562;MM427562;CC=Cc1ccn(NC)n1;YFKYULIZVFPHCA-UHFFFAOYSA-N;137.19;1.09;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP1_SN0";;;;;;;0.34;;-1.53;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM427563;MM427563;C#CC(C=CC=CC)CN;AYUMIMAEBAMXBD-UHFFFAOYSA-N;135.21;1.33;;;;;DOPC;MDCG;27;1;"MARTINI bead: C4_Nd";;;;;;;2.2;;-1.85;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM427564;MM427564;C#CC(CO)C1CN1C=N;BNDOPJADOQMSNO-UHFFFAOYSA-N;138.17;-0.48;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nda_SP2";;;;;;;-0.24;;-6.16;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM427565;MM427565;C=Cc1ccc(C(=C)C)o1;JIXRWIFIQASANX-UHFFFAOYSA-N;134.18;2.96;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC4_SC5";;;;;;;2.97;;0.45;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM427566;MM427566;C=C1C(C)CC2(OC)CC12;KNMKMIKGERXORM-UHFFFAOYSA-N;138.21;1.99;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC5_SC3";;;;;;;3.34;;0.48;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM427567;MM427567;CCNCCC1(C=O)CN1;PBTJDBXLTXQWNX-UHFFFAOYSA-N;142.2;-0.47;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_SP2";;;;;;;-0.24;;-5.71;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM427568;MM427568;CC=Cc1ccn(OC)n1;LZCNLMIDZGHFML-UHFFFAOYSA-N;138.17;0.97;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNa_SN0";;;;;;;1.17;;-1.18;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM427569;MM427569;C#CC(C=CC=CF)CN;JPVIFBMPOZKLIO-UHFFFAOYSA-N;139.17;1.23;;;;;DOPC;MDCG;27;1;"MARTINI bead: P2_C3";;;;;;;1.46;;-2.44;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM427570;MM427570;C#CC(CC)C1CN1C=O;GWYSMBJNANXAQZ-UHFFFAOYSA-N;137.18;0.49;;;;;DOPC;MDCG;27;0;"MARTINI bead: C3_SP2";;;;;;;1.46;;-0.15;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM427571;MM427571;C=C(C)c1ccc(C=O)o1;CMXRCPPTJGNJPF-UHFFFAOYSA-N;136.15;2.13;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC4_SNa";;;;;;;2.2;;0.34;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM427572;MM427572;COC12CC(C)C(=O)C1C2;RPTVOJQIMQWUTN-UHFFFAOYSA-N;140.18;1;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC5_SNa";;;;;;;1.64;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM427573;MM427573;CCNCCC1(C#N)CN1;BBWCPCWEWAAZNN-UHFFFAOYSA-N;139.2;-0.15;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_SP1";;;;;;;0.04;;-4.49;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM427574;MM427574;CC=Cc1cnn(CC)n1;SDXANWQYUHSRSB-UHFFFAOYSA-N;137.19;1.33;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNa_SN0";;;;;;;1.17;;-1.18;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM427575;MM427575;CC#CCCCC(C)(C)O;IYMZYIWCOGHKKW-UHFFFAOYSA-N;140.23;1.95;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1_Nda";;;;;;;2.91;;0.57;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM427576;MM427576;C#CC(CN)C1CN1C=O;WOKASXVBHVMGAG-UHFFFAOYSA-N;138.17;-0.96;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_SP2";;;;;;;-0.24;;-5.18;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM427577;MM427577;CCOCCC1(C=O)CN1;HJSXJRDRTYSXHA-UHFFFAOYSA-N;143.19;-0.05;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_SP2";;;;;;;-0.24;;-3.24;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM427578;MM427578;C=C(C)c1ccc(C#N)o1;MVWWABJUYMPNSK-UHFFFAOYSA-N;133.15;2.18;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC4_SN0";;;;;;;2.5;;0.44;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM427579;MM427579;C=C1C(C)NC2(CC)CC12;RYRMEPZZDLSQNY-UHFFFAOYSA-N;137.23;1.7;;;;;DOPC;MDCG;27;1;"MARTINI bead: SNd_SN0";;;;;;;1.17;;-4.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM427580;MM427580;CC=NNC(C)=CC(C)=O;JMUZBNOHTFNBKM-UHFFFAOYSA-N;140.19;1.07;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_Na";;;;;;;1.64;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM427581;MM427581;CC=Cc1ncn(CC)n1;HJDGKOYWIBFAAR-UHFFFAOYSA-N;137.19;1.33;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP1_SNa";;;;;;;0.04;;-2.54;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM427582;MM427582;C#CC(NC)C1CN1C=O;MZCAWGNQXNILFK-UHFFFAOYSA-N;138.17;-0.95;;;;;DOPC;MDCG;27;1;"MARTINI bead: P2_SP2";;;;;;;-1.34;;-5.32;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM427583;MM427583;CCOCCC1(C#N)CN1;MERXYEPOHUYQEZ-UHFFFAOYSA-N;140.19;0.28;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_SP1";;;;;;;0.04;;-2.54;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM427584;MM427584;C=Cc1ncc(C(=C)C)o1;FGYRHYFJHCMIEK-UHFFFAOYSA-N;135.17;2.35;;;;;DOPC;MDCG;27;0;"MARTINI bead: SN0_SNa";;;;;;;1.17;;-1.18;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM427585;MM427585;C=C1C(C)NC2(CN)CC12;KYAALHJENXRHFJ-UHFFFAOYSA-N;138.21;0.25;;;;;DOPC;MDCG;27;1;"MARTINI bead: SP2_SN0";;;;;;;0.06;;-4.77;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM427586;MM427586;C#CC(C=CC=CC)CF;JWCVZPDSWWHLND-UHFFFAOYSA-N;138.19;2.34;;;;;DOPC;MDCG;27;0;"MARTINI bead: C2_C5";;;;;;;3.6;;0.34;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM427587;MM427587;CC=Cc1ncn(NC)n1;RVSMBELKHXCZMI-UHFFFAOYSA-N;138.17;0.48;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP2_SNa";;;;;;;-0.24;;-3.24;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM427588;MM427588;C#CC(CC)C1CN1N=C;AXPDNJXRBUZHAQ-UHFFFAOYSA-N;136.2;0.95;;;;;DOPC;MDCG;27;0;"MARTINI bead: C3_SP2";;;;;;;1.46;;-0.15;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM427589;MM427589;C=C1C(C)NC2(CO)CC12;DKVSMAJWZXMDBI-UHFFFAOYSA-N;139.2;0.29;;;;;DOPC;MDCG;27;1;"MARTINI bead: SP1_SN0";;;;;;;0.34;;-3.81;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM427590;MM427590;C=Cc1cnc(C(=C)C)o1;FUXKLEUQUVSWFV-UHFFFAOYSA-N;135.17;2.35;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC5_SN0";;;;;;;1.94;;0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM427591;MM427591;C=CC1(CNCCC)CN1;ZZRIIUAURPWVLY-UHFFFAOYSA-N;140.23;0.51;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_SP1";;;;;;;0.04;;-5;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM427592;MM427592;C#CC(C=CC=CF)CF;OOUNHCOCPYZEOH-UHFFFAOYSA-N;142.15;2.24;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_C4";;;;;;;2.97;;0.45;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM427593;MM427593;CC=Cc1ncn(OC)n1;YGXUISOCPSBDHJ-UHFFFAOYSA-N;139.16;0.37;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP1_SNa";;;;;;;0.04;;-2.54;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM427594;MM427594;C=C1C(C)OC2(CC)CC12;JEUNJEFUUAUKIB-UHFFFAOYSA-N;138.21;2.13;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNa_SN0";;;;;;;1.17;;-1.18;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM427595;MM427595;C#CC(CN)C1CN1N=C;JHQQGRUYLJQOOI-UHFFFAOYSA-N;137.19;-0.51;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_SP2";;;;;;;-0.24;;-5.28;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM427596;MM427596;C#CC1=CC=C(C(=C)C)C1;HLCSZZOMJLHFAL-UHFFFAOYSA-N;130.19;2.45;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC3_SC5";;;;;;;3.34;;0.48;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM427597;MM427597;C=CC1(CNCCN)CN1;OHEMNGOJFLJCBU-UHFFFAOYSA-N;141.22;-0.94;;;;;DOPC;MDCG;27;1;"MARTINI bead: P3_SP1";;;;;;;-1.93;;-6.77;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM427598;MM427598;C#CC(C=CC=NN)CC;FZGKEHDWKAKYKE-UHFFFAOYSA-N;136.2;1.15;;;;;DOPC;MDCG;27;0;"MARTINI bead: C2_Nd";;;;;;;2.83;;0.62;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM427599;MM427599;CC=Cc1nnn(CC)n1;ACAKNNDVPPMDDR-UHFFFAOYSA-N;138.17;0.73;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP1_SNa";;;;;;;0.04;;-2.54;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM427600;MM427600;C=NN(C)CCC(C)=O;IZZNRUZCXSXQTA-UHFFFAOYSA-N;128.18;0.51;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_P2";;;;;;;-0.24;;-3.24;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM427601;MM427601;C=C1C(C)OC2(CN)CC12;VSXHSQGETLXDTR-UHFFFAOYSA-N;139.2;0.68;;;;;DOPC;MDCG;27;1;"MARTINI bead: SP1_SN0";;;;;;;0.34;;-3.64;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM427602;MM427602;C#Cc1ccc(C(=C)C)[nH]1;FMYVBLLWAVAXPE-UHFFFAOYSA-N;131.18;2.03;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC5_SNd";;;;;;;1.64;;0.02;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM427603;MM427603;C=CC1C=CC(C=CC)=C1;XERIQLYSXPJGIQ-UHFFFAOYSA-N;132.21;2.86;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC3_SC4";;;;;;;3.9;;0.47;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM427604;MM427604;C#CC(C=CC=NO)CC;QKLNKLHNVIUXSM-UHFFFAOYSA-N;137.18;1.66;;;;;DOPC;MDCG;27;0;"MARTINI bead: C2_P1";;;;;;;2;;0.29;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM427605;MM427605;C=CC1(CNCCO)CN1;ZNEBEOHRZIIGKC-UHFFFAOYSA-N;142.2;-0.9;;;;;DOPC;MDCG;27;1;"MARTINI bead: P2_SP1";;;;;;;-1.06;;-5.47;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM427606;MM427606;C=C1C(C)OC2(CO)CC12;FZIXHZLRVMDOAV-UHFFFAOYSA-N;140.18;0.71;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP1_SN0";;;;;;;0.34;;-1.53;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM427607;MM427607;CC=NNCCC(C)=O;QIUOSZJWWWYDFD-UHFFFAOYSA-N;128.18;0.56;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nd_Na";;;;;;;0.87;;-1.88;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM427608;MM427608;CCC1(O)C2C=C(C)CC21;FVCOKPGTVXUTFY-UHFFFAOYSA-N;138.21;1.72;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNda_SC4";;;;;;;2.2;;0.49;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM427609;MM427609;C#CC(C=CC=CC)NC;UEKCTBVAUIEVDH-UHFFFAOYSA-N;135.21;1.34;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1_C2";;;;;;;2;;0.05;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM427610;MM427610;CC=CC1=CC(C=O)C=C1;WGZHYJOCUBEEIK-UHFFFAOYSA-N;134.18;1.87;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC3_SNa";;;;;;;2.57;;0.45;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM427611;MM427611;CCCNCC1(C=O)CN1;VAZRVZXFOMQUKS-UHFFFAOYSA-N;142.2;-0.47;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_SP2";;;;;;;-0.24;;-4.91;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM427612;MM427612;CCC12CC1C(=O)C(C)O2;DPSDNNCXCRUDSR-UHFFFAOYSA-N;140.18;1.14;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNa_SP1";;;;;;;0.04;;-2.54;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM427613;MM427613;C=NNC(=N)C#CCC;DGZHSERQJRXJBS-UHFFFAOYSA-N;123.16;0.58;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_P2";;;;;;;0.54;;-1.09;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM427614;MM427614;C#Cc1ccc(C(=C)C)o1;MNKUYWWVWFJCNV-UHFFFAOYSA-N;132.16;2.29;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC4_SN0";;;;;;;2.5;;0.44;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM427615;MM427615;C=NN=CC=COC=NN;MFPFMTVUSRDXLS-UHFFFAOYSA-N;140.15;0.11;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_C5";;;;;;;0.81;;-0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM427616;MM427616;C#CC(C=CC=CF)NC;GNPCSIRYHOTCPY-UHFFFAOYSA-N;139.17;1.25;;;;;DOPC;MDCG;27;1;"MARTINI bead: P2_C4";;;;;;;1.09;;-1.54;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM427617;MM427617;O=CC1(CNCCO)CN1;NJBNWODXZFNKJV-UHFFFAOYSA-N;144.17;-1.89;;;;;DOPC;MDCG;27;1;"MARTINI bead: P3_SP2";;;;;;;-2.2;;-6.21;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM427618;MM427618;CCC12CC1C(=N)N(C)C2;VXINCZINGUGOFS-UHFFFAOYSA-N;138.21;1.33;;;;;DOPC;MDCG;27;1;"MARTINI bead: SC3_SNd";;;;;;;2.57;;-3.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM427619;MM427619;C=CC(=O)CC1CN1C;YRQGPEMRWWZRRN-UHFFFAOYSA-N;125.17;0.45;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP1_Na";;;;;;;0.04;;-2.54;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM427620;MM427620;C#Cc1ncc(C(=C)C)o1;PNIJPTJVNRELOB-UHFFFAOYSA-N;133.15;1.69;;;;;DOPC;MDCG;27;0;"MARTINI bead: SN0_SNa";;;;;;;1.17;;-1.18;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM427621;MM427621;C#CC(C=CC=NO)NC;MLQJVMLTEMGSHZ-UHFFFAOYSA-N;138.17;0.22;;;;;DOPC;MDCG;27;1;"MARTINI bead: P2_Nda";;;;;;;-0.24;;-4.5;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM427622;MM427622;C=Cn1ccc(C=CC)c1;BYGGDXLPDYBCAL-UHFFFAOYSA-N;133.19;2.62;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC5_SN0";;;;;;;1.94;;0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM427623;MM427623;CCC12CC1C(=N)N(N)C2;CFOXLQGKBVYXAX-UHFFFAOYSA-N;139.2;0.57;;;;;DOPC;MDCG;27;1;"MARTINI bead: SC3_SP2";;;;;;;1.46;;-2.97;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM427624;MM427624;COC1CC(=O)N(N)C1;ZTHNUNYZWQPUEU-UHFFFAOYSA-N;130.15;-0.89;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP1_SP2";;;;;;;-1.06;;-3.82;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM427625;MM427625;C=CC1(COCCC)CN1;CFILVVVLWAKLTA-UHFFFAOYSA-N;141.21;0.94;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_SP1";;;;;;;0.04;;-2.54;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM427626;MM427626;CC=Cc1ccn(C=N)c1;KKNLLXALLQBUAO-UHFFFAOYSA-N;134.18;1.98;;;;;DOPC;MDCG;27;1;"MARTINI bead: SC5_SNd";;;;;;;1.64;;-3.05;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM427627;MM427627;C#CC(C=CC=CC)OC;UWXZOCDCPMWWBE-UHFFFAOYSA-N;136.19;1.77;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_C1";;;;;;;2.91;;0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM427628;MM427628;C#Cc1cnc(C(=C)C)o1;ZMGKQGPUTOSBCW-UHFFFAOYSA-N;133.15;1.69;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC5_SN0";;;;;;;1.94;;0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM427629;MM427629;C=CC1(COCCN)CN1;SQBQQNSGQLBLFA-UHFFFAOYSA-N;142.2;-0.51;;;;;DOPC;MDCG;27;1;"MARTINI bead: P2_SP1";;;;;;;-1.06;;-5.86;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM427630;MM427630;C=CC(C=C)C1CC1C=C;UFPDKZTVVHDLSA-UHFFFAOYSA-N;134.22;2.8;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC4_C2";;;;;;;4.16;;0.44;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM427631;MM427631;CCC12CC1C(=O)N(C)C2;JNUFSYGMPCTNTJ-UHFFFAOYSA-N;139.2;0.87;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC3_SP1";;;;;;;1.74;;0.29;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM427632;MM427632;COC1=NN(C(C)C)CC1;GFZIYEWBLCVLFF-UHFFFAOYSA-N;142.2;1.06;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP1_SN0";;;;;;;0.34;;-1.53;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM427633;MM427633;CC=Cc1ccn(C=O)c1;JCWRSDYLVQANNX-UHFFFAOYSA-N;135.17;1.56;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC5_SNa";;;;;;;1.64;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM427634;MM427634;C#CC(C=CC=CF)OC;MLHKERKGPYRMJT-UHFFFAOYSA-N;140.16;1.67;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_C4";;;;;;;2.2;;0.34;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM427635;MM427635;CCCOCC1(C=O)CN1;KUMXTHNGKVSKJA-UHFFFAOYSA-N;143.19;-0.05;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_SP2";;;;;;;-0.24;;-3.24;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM427636;MM427636;C=CC(C=O)C1CC1C=C;BUHRWUFMKSMMSP-UHFFFAOYSA-N;136.19;1.81;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC4_Na";;;;;;;2.2;;0.34;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM427637;MM427637;C=Cn1ccc(C=NN)c1;FPAJTPSDDXADAY-UHFFFAOYSA-N;135.17;0.88;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNd_SN0";;;;;;;1.17;;-1.04;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM427638;MM427638;CN1CC2(CN)CC2C1=O;BTXQHSAUDIQXOK-UHFFFAOYSA-N;140.19;-0.58;;;;;DOPC;MDCG;27;1;"MARTINI bead: SP2_SP1";;;;;;;-1.06;;-5.85;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM427639;MM427639;C#CC(C=CC=NO)OC;ZSAPVHYZFSKNLX-UHFFFAOYSA-N;139.15;0.65;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_Nda";;;;;;;0.87;;-1.99;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM427640;MM427640;CC(C)N1C=C(C=O)CC1;FMSRSFBJAQZIHW-UHFFFAOYSA-N;139.2;1.18;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC5_SP2";;;;;;;0.54;;-1.09;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM427641;MM427641;CCCOCC1(C#N)CN1;QALYYEAWMYNQMQ-UHFFFAOYSA-N;140.19;0.28;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_SP2";;;;;;;-0.24;;-3.24;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM427642;MM427642;C=CC(C#N)C1CC1C=C;NCWWUYJJDYMSBV-UHFFFAOYSA-N;133.19;2.13;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC4_N0";;;;;;;2.5;;0.44;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM427643;MM427643;N=Cn1ccc(C=NN)c1;XOAFQYGAINCLLV-UHFFFAOYSA-N;136.16;0.24;;;;;DOPC;MDCG;27;1;"MARTINI bead: SNd_SNd";;;;;;;0.87;;-4.18;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM427644;MM427644;CCC12CC1C(=O)N(N)C2;MGUQQHAEUYWBKH-UHFFFAOYSA-N;140.19;0.12;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC3_SP2";;;;;;;1.46;;-0.15;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM427645;MM427645;C#CC(C=NN=CC)CC;ZTROOSRLNIJOPS-UHFFFAOYSA-N;136.2;1.72;;;;;DOPC;MDCG;27;0;"MARTINI bead: C2_P1";;;;;;;2;;0.29;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM427646;MM427646;C=CC1=CN(C(C)=N)CC1;FAVZUGOFYYCKFM-UHFFFAOYSA-N;136.2;1.76;;;;;DOPC;MDCG;27;1;"MARTINI bead: SNd_SN0";;;;;;;1.17;;-5.11;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM427647;MM427647;N#CC=CNN=CC1CC1;QAEWWHZIIYYLLY-UHFFFAOYSA-N;135.17;1.01;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_SC5";;;;;;;0.81;;-0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM427648;MM427648;C=CC1CC1C(C=O)C=O;FTQUNFBPACYQIU-UHFFFAOYSA-N;138.17;0.82;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC4_Na";;;;;;;2.2;;0.34;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM427649;MM427649;CNC12CC1C(=N)N(C)C2;ULAILWDRJDXKGL-UHFFFAOYSA-N;139.2;-0.11;;;;;DOPC;MDCG;27;1;"MARTINI bead: SNd_SNd";;;;;;;0.87;;-6.36;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM427650;MM427650;CC(=N)N1C=C(C=O)CC1;YBOPLOGXHOGSHW-UHFFFAOYSA-N;138.17;0.77;;;;;DOPC;MDCG;27;1;"MARTINI bead: SNd_SP2";;;;;;;-0.24;;-6.59;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM427651;MM427651;NN=Cc1ccn(C=O)c1;GPEKMNWXUMZEIB-UHFFFAOYSA-N;137.14;-0.18;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNd_SNa";;;;;;;0.87;;-1.88;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM427652;MM427652;C#CC(C=NN=CC)CF;VJICKGVUHHCSPD-UHFFFAOYSA-N;140.16;1.28;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_Na";;;;;;;1.64;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM427653;MM427653;C=CC1(COCOC)CN1;GBDDTJIFWLVYFS-UHFFFAOYSA-N;143.19;0.13;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_SP1";;;;;;;-0.79;;-3.13;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM427654;MM427654;C=CC1CC1C(C#N)C=O;SORORRISHHCKIT-UHFFFAOYSA-N;135.17;1.15;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC4_Na";;;;;;;2.2;;0.34;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM427655;MM427655;CNC12CC1C(=O)N(C)C2;JZIJKUIIRNIJFN-UHFFFAOYSA-N;140.19;-0.56;;;;;DOPC;MDCG;27;1;"MARTINI bead: SNd_SP1";;;;;;;0.04;;-4.05;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM427656;MM427656;C#CC(C=NN=CC)OC;OMHUHNMNMISMDK-UHFFFAOYSA-N;138.17;0.71;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_C5";;;;;;;1.64;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM427657;MM427657;C=Nn1ccc(C=CC)c1;LIGAFJSAOWUWBP-UHFFFAOYSA-N;134.18;1.98;;;;;DOPC;MDCG;27;1;"MARTINI bead: SC5_SN0";;;;;;;1.94;;-0.27;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM427658;MM427658;CC(=N)N1C=C(C#N)CC1;ONPYNPYVSZKQBC-UHFFFAOYSA-N;135.17;1.1;;;;;DOPC;MDCG;27;1;"MARTINI bead: SNd_SP1";;;;;;;0.04;;-5.78;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM427659;MM427659;COCOCC1(C#N)CN1;SSMJIBPQHPUYPO-UHFFFAOYSA-N;142.16;-0.53;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_SP2";;;;;;;-1.06;;-3.82;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM427660;MM427660;C=CC(C=C)C1CC1C=O;XEYYSEILQWEART-UHFFFAOYSA-N;136.19;1.81;;;;;DOPC;MDCG;27;0;"MARTINI bead: C2_SNa";;;;;;;2.83;;0.35;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM427661;MM427661;C=Nn1ccc(C=NN)c1;RKWAVVZXZIKKRG-UHFFFAOYSA-N;136.16;0.24;;;;;DOPC;MDCG;27;1;"MARTINI bead: SNd_SN0";;;;;;;1.17;;-2.21;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM427662;MM427662;CCC12CC1C(=N)N(C)N2;REALAZYOBDHKQD-UHFFFAOYSA-N;139.2;0.58;;;;;DOPC;MDCG;27;1;"MARTINI bead: SNd_SP3";;;;;;;-1.1;;-6.8;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM427663;MM427663;C=CC(C=C)C=CC=CC;BNPUOSULGYDQCI-UHFFFAOYSA-N;134.22;3.11;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1_C2";;;;;;;4.87;;0.53;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM427664;MM427664;C#CC1=CN(C(C)=N)CC1;OOPQGRKYIQKBEZ-UHFFFAOYSA-N;134.18;1.21;;;;;DOPC;MDCG;27;1;"MARTINI bead: SNd_SP1";;;;;;;0.04;;-6.22;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM427665;MM427665;C=CC1(CCCCC)CO1;ASNZUPIVCJLRRF-UHFFFAOYSA-N;140.23;2.52;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1_SNa";;;;;;;2.91;;0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM427666;MM427666;C=CC(C=C)C1CC1C#N;MOZFKLIHELJEHZ-UHFFFAOYSA-N;133.19;2.13;;;;;DOPC;MDCG;27;0;"MARTINI bead: C2_SN0";;;;;;;3.13;;0.3;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM427667;MM427667;C=Cn1cc(C=CC)cn1;SLIAHJMMTZLGIL-UHFFFAOYSA-N;134.18;2.02;;;;;DOPC;MDCG;27;0;"MARTINI bead: SN0_SNa";;;;;;;1.17;;-1.18;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM427668;MM427668;C=CC(C=C)C=CC=CF;RWRMXILJUMSJKK-UHFFFAOYSA-N;138.19;3.01;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4_C1";;;;;;;4.24;;0.42;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM427669;MM427669;CCC12CC1C(=O)N(C)N2;XDXLSGIYYPSCRL-UHFFFAOYSA-N;140.19;0.13;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNd_SP3";;;;;;;-1.1;;-3.93;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM427670;MM427670;CCc1ccn(C(C)C)c1;IPJBIHSERNZEOS-UHFFFAOYSA-N;137.23;2.63;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC5_SC4";;;;;;;2.97;;0.45;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM427671;MM427671;C=CC(C=O)C1CC1C#N;AHCCNGOPHIWWJS-UHFFFAOYSA-N;135.17;1.15;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_SN0";;;;;;;1.17;;-1.18;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM427672;MM427672;NN=c1occ(C2CC2)o1;RLWWQBFBKNQKTC-UHFFFAOYSA-N;140.14;0.52;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP2_SC5";;;;;;;0.54;;-1.09;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM427673;MM427673;CC=Cc1cnn(C=N)c1;GLRIYVHNHMXWBN-UHFFFAOYSA-N;135.17;1.37;;;;;DOPC;MDCG;27;0;"MARTINI bead: SN0_SP1";;;;;;;0.34;;-1.53;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM427674;MM427674;C=CC(C=O)C=CC=CC;ZXANGKAABOTHBO-UHFFFAOYSA-N;136.19;2.12;;;;;DOPC;MDCG;27;0;"MARTINI bead: C2_Na";;;;;;;2.83;;0.35;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM427675;MM427675;C=C1C(C)CC2(CN)NC12;IEANGXJEMDSLBS-UHFFFAOYSA-N;138.21;0.25;;;;;DOPC;MDCG;27;1;"MARTINI bead: SP2_SC3";;;;;;;1.46;;-2;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM427676;MM427676;CC(C)n1ccc(CN)c1;UGQDVGZBYDXOAJ-UHFFFAOYSA-N;138.21;1.53;;;;;DOPC;MDCG;27;1;"MARTINI bead: SC4_SP1";;;;;;;1.37;;-1.83;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM427677;MM427677;O=CC(C=O)C1CC1C=O;GRZWEMQOXPZECJ-UHFFFAOYSA-N;140.14;-0.16;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNa_Na";;;;;;;0.87;;-2.22;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM427678;MM427678;CC=Cc1cnn(C=O)c1;PCCCMOZZTUWUDZ-UHFFFAOYSA-N;136.15;0.95;;;;;DOPC;MDCG;27;0;"MARTINI bead: SN0_SP1";;;;;;;0.34;;-1.53;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM427679;MM427679;CCCCCC1(C=O)CO1;BKNXFETUWHIGDT-UHFFFAOYSA-N;142.2;1.53;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1_SP1";;;;;;;2.08;;0.48;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM427680;MM427680;C=CC(C#N)C=CC=CC;LHSWOARKPYDWSA-UHFFFAOYSA-N;133.19;2.44;;;;;DOPC;MDCG;27;0;"MARTINI bead: C2_C5";;;;;;;3.6;;0.34;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM427681;MM427681;CC(C)n1ccc(CF)c1;ISAHBOFKKTYTLC-UHFFFAOYSA-N;141.19;2.54;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC4_SNa";;;;;;;2.2;;0.34;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM427682;MM427682;CC#CCCC(C)(O)CC;DYTKCZUKYRVYGZ-UHFFFAOYSA-N;140.23;1.95;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_C4";;;;;;;2.97;;0.45;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM427683;MM427683;C=Cn1cc(C=NN)cn1;NYMNQOYKCAJSSC-UHFFFAOYSA-N;136.16;0.28;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP1_SNa";;;;;;;0.04;;-2.54;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM427684;MM427684;N#CC(C=O)C1CC1C=O;HSGIKUWHZMSIKW-UHFFFAOYSA-N;137.14;0.16;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNa_Na";;;;;;;0.87;;-2.22;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM427685;MM427685;C=CC(C=O)C=CC=CF;XRGNOBRMLVBRAM-UHFFFAOYSA-N;140.16;2.03;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4_Na";;;;;;;2.2;;0.34;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM427686;MM427686;NN=c1occ(C2CN2)o1;LKJVVNRPCFLMSI-UHFFFAOYSA-N;141.13;-0.71;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP2_SP2";;;;;;;-1.34;;-4.31;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM427687;MM427687;CNc1ccn(C(C)C)c1;GVYVKEWBTZUHDT-UHFFFAOYSA-N;138.21;2.11;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNd_SC4";;;;;;;2.2;;0.32;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM427688;MM427688;C=C1C(N)CC2(CC)NC12;HZTZHHAUSHSVMV-UHFFFAOYSA-N;138.21;0.39;;;;;DOPC;MDCG;27;1;"MARTINI bead: SNd_SNd";;;;;;;0.87;;-4.23;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM427689;MM427689;N=Cn1cc(C=NN)cn1;RWICDZGODCRKAU-UHFFFAOYSA-N;137.15;-0.37;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP1_SP1";;;;;;;-0.79;;-3.13;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM427690;MM427690;N#CC(C#N)C1CC1C=O;DHVYJBQRCSTKHX-UHFFFAOYSA-N;134.14;0.48;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNa_P2";;;;;;;-0.24;;-3.24;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM427691;MM427691;C=CC(C#N)C=CC=CF;HWWSIZUQFJTTQN-UHFFFAOYSA-N;137.16;2.35;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4_C5";;;;;;;2.97;;0.45;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM427692;MM427692;O=CC1(CCCCF)CO1;VKMJILZSDAHJPM-UHFFFAOYSA-N;146.16;1.09;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4_SP1";;;;;;;1.37;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM427693;MM427693;COc1ccn(C(C)C)c1;IYCONXRKUJHLQE-UHFFFAOYSA-N;139.2;2.08;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNa_SC4";;;;;;;2.2;;0.34;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM427694;MM427694;C=C1C(N)CC2(CO)NC12;WGFUYMJEXJRUCI-UHFFFAOYSA-N;140.19;-1.02;;;;;DOPC;MDCG;27;1;"MARTINI bead: SP1_SNd";;;;;;;0.04;;-4.44;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM427695;MM427695;CC=CC=CC(C=O)C=O;YNVPFLLCRAYWIZ-UHFFFAOYSA-N;138.17;1.13;;;;;DOPC;MDCG;27;0;"MARTINI bead: C3_P2";;;;;;;1.46;;-0.15;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM427696;MM427696;N#CC1(CCCCF)CO1;DOBCQKLENDKPJM-UHFFFAOYSA-N;143.16;1.42;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4_SNa";;;;;;;2.2;;0.34;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM427697;MM427697;C=CC1CC1N(C=C)C=N;BBXIBHAFYQQPDB-UHFFFAOYSA-N;136.2;1.61;;;;;DOPC;MDCG;27;1;"MARTINI bead: SC4_P1";;;;;;;1.37;;-3.38;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM427698;MM427698;NN=Cc1cnn(C=O)c1;TUUOIOXQUFHPFT-UHFFFAOYSA-N;138.13;-0.79;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP1_SP1";;;;;;;-0.79;;-3.13;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM427699;MM427699;CNCC(=O)ON=C(C)N;ANCHKCVESRZEHH-UHFFFAOYSA-N;145.16;-0.96;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_P2";;;;;;;-1.34;;-4.31;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM427700;MM427700;CCc1ccn(C(C)C)n1;XGGZHRYEUQNCOX-UHFFFAOYSA-N;138.21;2.03;;;;;DOPC;MDCG;27;0;"MARTINI bead: SN0_SNa";;;;;;;1.17;;-1.18;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM427701;MM427701;CC=CC=CC(C#N)C#N;CPKCKWNOBLIPJW-UHFFFAOYSA-N;132.17;1.78;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1_P2";;;;;;;1.8;;0.4;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM427702;MM427702;C=CC1CC1N(C=C)C=O;UIINERUNNPMQJH-UHFFFAOYSA-N;137.18;1.16;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC4_P2";;;;;;;1.09;;-0.38;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM427703;MM427703;C=CC1(CCCOC)CO1;FYTVLENKKIDQQE-UHFFFAOYSA-N;142.2;1.37;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_SNa";;;;;;;0.87;;-2.22;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM427704;MM427704;C=Nn1cc(C=CC)cn1;IAYYXTJROWNBAE-UHFFFAOYSA-N;135.17;1.38;;;;;DOPC;MDCG;27;0;"MARTINI bead: SN0_SP1";;;;;;;0.34;;-1.53;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM427705;MM427705;C=C1C(O)CC2(CN)NC12;GVOLUHJQRPKLDI-UHFFFAOYSA-N;140.19;-1.02;;;;;DOPC;MDCG;27;1;"MARTINI bead: SP2_SNda";;;;;;;-0.24;;-4.98;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM427706;MM427706;C=Cc1ccn(C(C)C)c1;ZWQUHPMSCPLNCY-UHFFFAOYSA-N;135.21;2.71;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC4_SN0";;;;;;;2.5;;0.44;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM427707;MM427707;C=Nn1cc(C=NN)cn1;BROVSVYNUVBWAL-UHFFFAOYSA-N;137.15;-0.36;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP1_SP1";;;;;;;-0.79;;-3.13;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM427708;MM427708;C=CC1CC1N(C=N)C=N;DYMMPUWSOPWVDF-UHFFFAOYSA-N;137.19;1.08;;;;;DOPC;MDCG;27;1;"MARTINI bead: SC4_P2";;;;;;;1.09;;-1.91;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM427709;MM427709;N#CC(C=O)C=CC=CF;RGAQYXWVHMDYSA-UHFFFAOYSA-N;139.13;1.36;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_Na";;;;;;;1.64;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM427710;MM427710;COCCCC1(C=O)CO1;NIHXIUUKSZXOJA-UHFFFAOYSA-N;144.17;0.38;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_SP1";;;;;;;0.04;;-2.54;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM427711;MM427711;CC(N)=NOC(=O)C(C)F;WEUZAPMJDAGRES-UHFFFAOYSA-N;148.14;0.18;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_P2";;;;;;;0.54;;-1.09;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM427712;MM427712;CC(C)n1ccc(C=O)c1;BXQBOJJFXALBGZ-UHFFFAOYSA-N;137.18;1.88;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC4_SNa";;;;;;;2.2;;0.34;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM427713;MM427713;N#CC(C#N)C=CC=CF;VIJXKBVINWEYFF-UHFFFAOYSA-N;136.13;1.69;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4_P1";;;;;;;1.37;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM427714;MM427714;C=Cn1cnc(C=CC)c1;WLAVXQCRYCJTBI-UHFFFAOYSA-N;134.18;2.02;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNa_SP1";;;;;;;0.04;;-2.54;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM427715;MM427715;C=CC1CC1N(C=N)C=O;BWBQZUNKWZPTHY-UHFFFAOYSA-N;138.17;0.63;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC4_P3";;;;;;;0.23;;-1.03;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM427716;MM427716;COCCCC1(C#N)CO1;LSBWPNBVHCCCAU-UHFFFAOYSA-N;141.17;0.71;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_SNa";;;;;;;0.87;;-2.22;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM427717;MM427717;C=CC1(O)CC(C)C(C)C1;SDFHPWLTPNYPNM-UHFFFAOYSA-N;140.23;1.97;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC5_SC2";;;;;;;3.6;;0.34;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM427718;MM427718;CC(C)n1ccc(C#N)c1;QUKXICRCVXJDEA-UHFFFAOYSA-N;134.18;1.94;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC4_SN0";;;;;;;2.5;;0.44;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM427719;MM427719;C=CC(C=C)C=CC=NN;UOAVUYDARPCFSW-UHFFFAOYSA-N;136.2;1.48;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nd_C1";;;;;;;2.91;;0.64;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM427720;MM427720;CC=Cc1cn(C=O)cn1;GWUUUIUTZRGEPO-UHFFFAOYSA-N;136.15;0.95;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNa_SP2";;;;;;;-0.24;;-3.24;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM427721;MM427721;C=CC1(CCNCC)CO1;YLLADFYWMAWHIV-UHFFFAOYSA-N;141.21;0.94;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_SNa";;;;;;;0.87;;-4.89;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM427722;MM427722;CCC12CN(C)C(=N)C1N2;HJOKDOYEXIZHNN-UHFFFAOYSA-N;139.2;0.03;;;;;DOPC;MDCG;27;1;"MARTINI bead: SP1_SNd";;;;;;;0.04;;-5.49;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM427723;MM427723;C=CN(C=O)C1CC1C#N;XTNYKHLALNRDQU-UHFFFAOYSA-N;136.15;0.5;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_SN0";;;;;;;0.06;;-2.21;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM427724;MM427724;CC(C)n1ccc(C=O)n1;BQLFIVZVVNOHEI-UHFFFAOYSA-N;138.17;1.28;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNa_SP1";;;;;;;0.04;;-2.54;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM427725;MM427725;C=Cn1cc(C=CC)nn1;RKQQSVKSOTWSGX-UHFFFAOYSA-N;135.17;1.41;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNa_SP1";;;;;;;0.04;;-2.54;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM427726;MM427726;C#CC(=O)C1N(C)C1(C)C;NTONDUADUOQIAK-UHFFFAOYSA-N;137.18;0.28;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_SNd";;;;;;;0.04;;-2.63;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM427727;MM427727;CN1CC2(CN)NC2C1=N;GFDAPZBLSPAOFI-UHFFFAOYSA-N;140.19;-1.42;;;;;DOPC;MDCG;27;1;"MARTINI bead: SP3_SNd";;;;;;;-1.1;;-6.71;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM427728;MM427728;N#CC1CC1N(C=N)C=N;ADURAJNJRGLITI-UHFFFAOYSA-N;136.16;0.41;;;;;DOPC;MDCG;27;1;"MARTINI bead: P2_SN0";;;;;;;0.06;;-3.54;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM427729;MM427729;CCNCCC1(C=O)CO1;QMFCUBGPVZJPGH-UHFFFAOYSA-N;143.19;-0.05;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_SP1";;;;;;;0.04;;-5.34;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM427730;MM427730;CC(C)n1ccc(C#N)n1;LQSXHTIVSJTOHQ-UHFFFAOYSA-N;135.17;1.34;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNa_SP1";;;;;;;0.04;;-2.54;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM427731;MM427731;CC=Cc1cn(C=N)nn1;LQZVRSWCOAKOET-UHFFFAOYSA-N;136.16;0.77;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNa_SP2";;;;;;;-0.24;;-3.24;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM427732;MM427732;C=CC(C#N)C=CC=NO;MRHNRIOLVZSPBS-UHFFFAOYSA-N;136.15;1.33;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_C5";;;;;;;0.81;;-0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM427733;MM427733;COCONC(=N)C=NN;VGHKKRIARINOBG-UHFFFAOYSA-N;146.15;-0.97;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_P2";;;;;;;-1.34;;-4.31;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM427734;MM427734;Nc1cnn(N)c(=O)c1;ASZVROWPCLAADR-UHFFFAOYSA-N;126.12;-1.46;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP1_SP2";;;;;;;-1.06;;-3.82;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM427735;MM427735;CCNCCC1(C#N)CO1;XOVMPESGTNGVSB-UHFFFAOYSA-N;140.19;0.28;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_SNa";;;;;;;0.87;;-3.88;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM427736;MM427736;C#Cc1ccn(C(C)C)c1;WPHONZBANMEMET-UHFFFAOYSA-N;133.19;2.05;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC4_SN0";;;;;;;2.5;;0.44;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM427737;MM427737;CC=Cc1cn(C=O)nn1;XATJUTWBWPYSQG-UHFFFAOYSA-N;137.14;0.35;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNa_SP2";;;;;;;-0.24;;-3.24;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM427738;MM427738;C=CC(C=C)C=NN=CC;OIIMNKQAGVLWHP-UHFFFAOYSA-N;136.2;2.05;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_C1";;;;;;;2.08;;0.48;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM427739;MM427739;CN1CC2(CN)NC2C1=O;NSOMUPHYZPAEIF-UHFFFAOYSA-N;141.17;-1.87;;;;;DOPC;MDCG;27;1;"MARTINI bead: SP3_SP1";;;;;;;-1.93;;-6.24;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM427740;MM427740;O=CC1CC1N(C=O)C=O;JBHPACSPCKYGMD-UHFFFAOYSA-N;141.13;-0.81;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNa_P2";;;;;;;-0.24;;-3.24;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM427741;MM427741;C=CC1(CCOCC)CO1;MNGSSURAVBIMER-UHFFFAOYSA-N;142.2;1.37;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_SNa";;;;;;;0.87;;-2.22;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM427742;MM427742;C#Cc1ccn(C(C)C)n1;KYKPMEIRJWNBLD-UHFFFAOYSA-N;134.18;1.45;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNa_SP1";;;;;;;0.04;;-2.54;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM427743;MM427743;C=Nn1cc(C=CC)nn1;PGKBMGDGCGEWHX-UHFFFAOYSA-N;136.16;0.77;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNa_SP1";;;;;;;0.04;;-2.54;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM427744;MM427744;CCOCCC1(C#N)CO1;KYJSVQUXZZEHAA-UHFFFAOYSA-N;141.17;0.71;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_SNa";;;;;;;0.87;;-2.22;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM427745;MM427745;C#CCC(C)CC(O)CC;QRBFCLKUPVVYLU-UHFFFAOYSA-N;140.23;1.81;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda_C3";;;;;;;2.57;;0.44;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM427746;MM427746;C=CC1CC1N(C=N)N=C;YKAQXJPALXDXCE-UHFFFAOYSA-N;137.19;1.09;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC4_P2";;;;;;;1.09;;-0.37;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM427747;MM427747;CN(OC=O)C(=N)C=NN;FWEGKDLYDFZFDU-UHFFFAOYSA-N;144.13;-1.07;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_P1";;;;;;;-1.06;;-3.82;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM427748;MM427748;C=Cc1ccn(C(=C)C)c1;NKKUSCVBLUNEJX-UHFFFAOYSA-N;133.19;2.62;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC5_SN0";;;;;;;1.94;;0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM427749;MM427749;C=Cn1ccc(C=CC)n1;OHSKYDCWLXOUBJ-UHFFFAOYSA-N;134.18;2.02;;;;;DOPC;MDCG;27;0;"MARTINI bead: SN0_SNa";;;;;;;1.17;;-1.18;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM427750;MM427750;C=CC1(CNCCC)CO1;QTMJCUGRISEQMG-UHFFFAOYSA-N;141.21;0.94;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_SNa";;;;;;;0.87;;-4.37;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM427751;MM427751;C=C1C(C)CC2(CC)OC12;QZYMPKUHGDBHNR-UHFFFAOYSA-N;138.21;2.13;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC5_SC3";;;;;;;3.34;;0.48;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM427752;MM427752;C=CC(C#N)C=NN=CC;JCMVPJYKMJFZIE-UHFFFAOYSA-N;135.17;1.39;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_N0";;;;;;;1.94;;0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM427753;MM427753;C=CC1CC1N(C=O)N=C;MCABEGAHQWOACA-UHFFFAOYSA-N;138.17;0.63;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC4_P2";;;;;;;1.09;;-0.38;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM427754;MM427754;C=C(C)n1ccc(C=O)c1;LOFIATHLHBHSKF-UHFFFAOYSA-N;135.17;1.79;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC5_SNa";;;;;;;1.64;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM427755;MM427755;CC=Cc1ccn(C=N)n1;MARAYVGPUBIGES-UHFFFAOYSA-N;135.17;1.37;;;;;DOPC;MDCG;27;0;"MARTINI bead: SN0_SP1";;;;;;;0.34;;-1.53;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM427756;MM427756;C=CC1(CNCCN)CO1;PYGVZKYTMVEWSV-UHFFFAOYSA-N;142.2;-0.51;;;;;DOPC;MDCG;27;1;"MARTINI bead: P3_SNa";;;;;;;-1.1;;-6.4;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM427757;MM427757;C=C1C(C)CC2(CN)OC12;XGXRPJHIVTXJMA-UHFFFAOYSA-N;139.2;0.68;;;;;DOPC;MDCG;27;1;"MARTINI bead: SP1_SC3";;;;;;;1.74;;-1.37;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM427758;MM427758;CC=NN=CC(C#N)C=O;BWLZGSUEVZOVDS-UHFFFAOYSA-N;137.14;0.4;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_Na";;;;;;;1.64;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM427759;MM427759;C#CC(C)CC(C)(O)CC;IPUAXGVPURZSDB-UHFFFAOYSA-N;140.23;1.81;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda_C4";;;;;;;2.2;;0.49;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM427760;MM427760;C=C(C)n1ccc(C#N)c1;PQNIBTIRRBSZIT-UHFFFAOYSA-N;132.17;1.85;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC5_SN0";;;;;;;1.94;;0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM427761;MM427761;CC=Cc1ccn(C=O)n1;MXKOHRRQTCAQGQ-UHFFFAOYSA-N;136.15;0.95;;;;;DOPC;MDCG;27;0;"MARTINI bead: SN0_SP1";;;;;;;0.34;;-1.53;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM427762;MM427762;C=CC1(CNCCO)CO1;BNYUPBGSPXHDPO-UHFFFAOYSA-N;143.19;-0.48;;;;;DOPC;MDCG;27;1;"MARTINI bead: P2_SNa";;;;;;;-0.24;;-4.99;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM427763;MM427763;CC=CC=CN(C=N)C=O;JCPPFRDRPGHWJV-UHFFFAOYSA-N;138.17;1.14;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1_P4";;;;;;;0.85;;-0.64;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM427764;MM427764;C=C1C(C)CC2(CO)OC12;VXVROQXKCWKUMR-UHFFFAOYSA-N;140.18;0.71;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP1_SC3";;;;;;;1.74;;0.29;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM427765;MM427765;C#Cc1ccn(C(=C)C)c1;NMJQDQXUPTWDLR-UHFFFAOYSA-N;131.18;1.96;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC5_SN0";;;;;;;1.94;;0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM427766;MM427766;C=NN(C=N)C1CC1C#N;DEIRZALULZWTFZ-UHFFFAOYSA-N;136.16;0.42;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_SN0";;;;;;;0.06;;-2.21;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM427767;MM427767;C=Nn1ccc(C=CC)n1;BUMVYPKLGBNEHE-UHFFFAOYSA-N;135.17;1.38;;;;;DOPC;MDCG;27;0;"MARTINI bead: SN0_SP1";;;;;;;0.34;;-1.53;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM427768;MM427768;CCCNCC1(C=O)CO1;OEQZETMBOFZQPK-UHFFFAOYSA-N;143.19;-0.05;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_SP2";;;;;;;-0.24;;-5.02;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM427769;MM427769;N=CN(C=O)C=CC=CF;XWKJEUSWTZJDHQ-UHFFFAOYSA-N;142.13;1.05;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4_P4";;;;;;;0.15;;-2.18;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM427770;MM427770;C=C1C(C)CC2(CF)OC12;XVRRJSQGKWMYCK-UHFFFAOYSA-N;142.17;1.69;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNa_SC3";;;;;;;2.57;;0.45;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM427771;MM427771;CCC1=CC(C(C)C)=CC1;XEDYOSZIZVRPMV-UHFFFAOYSA-N;136.24;3.31;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC3_SC3";;;;;;;4.27;;0.2;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM427772;MM427772;CC(C)(F)C=NNCC#N;YSJXNCPUMIBGJH-UHFFFAOYSA-N;143.17;0.83;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_P1";;;;;;;0.81;;-0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM427773;MM427773;C=Cn1ncc(C=CC)n1;WEPQCWPOYVUWIU-UHFFFAOYSA-N;135.17;1.41;;;;;DOPC;MDCG;27;0;"MARTINI bead: SN0_SNa";;;;;;;1.17;;-1.18;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM427774;MM427774;C=CC1(COCCC)CO1;WWQGJJNHOUDOCB-UHFFFAOYSA-N;142.2;1.37;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_SNa";;;;;;;0.87;;-2.22;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM427776;MM427776;C=CN(C=N)C=CC=NO;MDYJZDJCQRXJPW-UHFFFAOYSA-N;139.16;1.01;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1_Nd";;;;;;;0.04;;-5.56;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM427775;MM427775;C=C1C(N)CC2(CC)OC12;PIVBGVUZRZZGGS-UHFFFAOYSA-N;139.2;0.82;;;;;DOPC;MDCG;27;1;"MARTINI bead: SC5_SNd";;;;;;;1.64;;-2.24;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM427777;MM427777;CC(C)C1=CCC(CN)=C1;VTVAVXYDRCGWNB-UHFFFAOYSA-N;137.23;1.86;;;;;DOPC;MDCG;27;1;"MARTINI bead: SC3_SNd";;;;;;;2.57;;-0.95;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM427778;MM427778;CON=C(C)CCC(C)=O;WJDKSRAXOFBHLL-UHFFFAOYSA-N;143.19;1.38;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_P1";;;;;;;0.81;;-0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM427779;MM427779;CC=Cc1cnn(C=N)n1;IRWDHEBOSKMCOP-UHFFFAOYSA-N;136.16;0.77;;;;;DOPC;MDCG;27;0;"MARTINI bead: SN0_SP2";;;;;;;0.06;;-2.21;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM427780;MM427780;C=CC1(COCCN)CO1;IEJJJSQIEDBWHF-UHFFFAOYSA-N;143.19;-0.08;;;;;DOPC;MDCG;27;1;"MARTINI bead: P2_SNa";;;;;;;-0.24;;-5.28;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM427781;MM427781;C=C1C(N)CC2(CN)OC12;GNYFFMIFQAHDCT-UHFFFAOYSA-N;140.19;-0.63;;;;;DOPC;MDCG;27;1;"MARTINI bead: SP1_SNd";;;;;;;0.04;;-5.14;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM427782;MM427782;N=CN(C=N)C=CC=NN;YQQKGMKUVOUZGE-UHFFFAOYSA-N;139.16;-0.04;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_P4";;;;;;;-1.19;;-6.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM427783;MM427783;CC(C)C1=CCC(CO)=C1;PAHRIQBSGUBSSB-UHFFFAOYSA-N;138.21;1.89;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC3_SNda";;;;;;;2.57;;0.44;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM427784;MM427784;C=CC1NC1C(C#N)C#N;FCLQEHRNNDQWPH-UHFFFAOYSA-N;133.15;0.18;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP1_P2";;;;;;;-1.06;;-3.82;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM427785;MM427785;CC=Cc1cnn(C=O)n1;PQPONMKBQHMXPG-UHFFFAOYSA-N;137.14;0.35;;;;;DOPC;MDCG;27;0;"MARTINI bead: SN0_SP2";;;;;;;0.06;;-2.21;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM427786;MM427786;C=CC1(COCCO)CO1;KUELBIAVJNWSFI-UHFFFAOYSA-N;144.17;-0.05;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_SNa";;;;;;;-0.24;;-3.24;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM427787;MM427787;C=C1C(O)CC2(CC)OC12;SAAKBFFARVEFIV-UHFFFAOYSA-N;140.18;0.85;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC5_SNda";;;;;;;1.64;;0.05;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM427788;MM427788;CCC1=CC(C(C)N)=CC1;OGLXUKUFPQMAAU-UHFFFAOYSA-N;137.23;2;;;;;DOPC;MDCG;27;1;"MARTINI bead: SC3_SNd";;;;;;;2.57;;-1.16;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM427789;MM427789;N=CN(C=N)C=CC=NO;ISUYSXAGULHIJC-UHFFFAOYSA-N;140.15;0.48;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1_P2";;;;;;;-1.06;;-4.96;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM427790;MM427790;CN(C)C=CC(=O)CCF;VSJMKHKDJJTTCN-UHFFFAOYSA-N;145.18;0.99;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_C5";;;;;;;0.54;;-1.09;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM427791;MM427791;C=Cn1cnc(C=CC)n1;VYJDHDJVUKDEHG-UHFFFAOYSA-N;135.17;1.41;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNa_SNa";;;;;;;0.87;;-2.22;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM427792;MM427792;CCC12CC(C)C(=O)C1O2;NZDBTEBSUFBKRJ-UHFFFAOYSA-N;140.18;1.14;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC5_SNa";;;;;;;1.64;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM427793;MM427793;CCCOCC1(C=O)CO1;AGLNQTLZTCRRPN-UHFFFAOYSA-N;144.17;0.38;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_SP2";;;;;;;-0.24;;-3.24;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM427794;MM427794;COC1=CC(C(C)C)=CC1;ZGHQSNJVTIUKAZ-UHFFFAOYSA-N;138.21;2.5;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC5_SC3";;;;;;;3.34;;0.48;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM427795;MM427795;N=CN(C=O)C=CC=NN;DAUDTKYBRZWCQT-UHFFFAOYSA-N;140.15;-0.49;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nd_P3";;;;;;;-1.1;;-3.93;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM427796;MM427796;C=CC(C=C)C1NC1C#N;TXYNXBFIOCMZFM-UHFFFAOYSA-N;134.18;0.84;;;;;DOPC;MDCG;27;0;"MARTINI bead: C2_SP2";;;;;;;1.72;;0.27;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM427797;MM427797;CC=Cc1ncn(C=N)n1;FMYJWVBCKWUYFT-UHFFFAOYSA-N;136.16;0.77;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNa_SP2";;;;;;;-0.24;;-3.24;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM427798;MM427798;CC1CC2(CO)OC2C1=O;HJWSMSCRWHYVCG-UHFFFAOYSA-N;142.15;-0.27;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP1_SNa";;;;;;;0.04;;-2.54;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM427799;MM427799;N=CN(C=O)C=CC=NO;OYMINOWDYKYVIV-UHFFFAOYSA-N;141.13;0.03;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda_P4";;;;;;;-1.19;;-4.91;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM427800;MM427800;CCCOCC1(C#N)CO1;AVGAAZGYTPKUGZ-UHFFFAOYSA-N;141.17;0.71;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_SP1";;;;;;;0.04;;-2.54;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM427801;MM427801;CC(C)c1c[nH]c(CN)c1;FZHPJGWGKRCJMD-UHFFFAOYSA-N;138.21;1.6;;;;;DOPC;MDCG;27;1;"MARTINI bead: SC4_SP1";;;;;;;1.37;;-1.37;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM427802;MM427802;COC(=NC(C)=O)N(C)C;ZFVSCYWZMOSRHV-UHFFFAOYSA-N;144.17;0.1;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_Na";;;;;;;0.04;;-2.54;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM427803;MM427803;CC=Cc1ncn(C=O)n1;NVANHKPNXRYHFV-UHFFFAOYSA-N;137.14;0.35;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNa_SP2";;;;;;;-0.24;;-3.24;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM427804;MM427804;CC1CC2(CF)OC2C1=O;AJRWMXWJXAWUOI-UHFFFAOYSA-N;144.15;0.7;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNa_SNa";;;;;;;0.87;;-2.22;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM427805;MM427805;N#CC1(COCCO)CO1;NQXUPJGKHBZGRF-UHFFFAOYSA-N;143.14;-0.71;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_SP1";;;;;;;-1.06;;-3.82;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM427806;MM427806;O=CN(C=O)C=CC=NO;JFEYBGHUSZYGKE-UHFFFAOYSA-N;142.11;-0.43;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_P2";;;;;;;-1.06;;-3.82;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM427807;MM427807;CC(C)c1c[nH]c(CO)c1;VLHJUTWIJKKIJT-UHFFFAOYSA-N;139.2;1.63;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC4_SNda";;;;;;;2.2;;0.49;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM427808;MM427808;C=CC(C#N)C1NC1C#N;GMTANQXKDLXFHB-UHFFFAOYSA-N;133.15;0.18;;;;;DOPC;MDCG;27;0;"MARTINI bead: N0_SP2";;;;;;;0.06;;-2.21;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM427809;MM427809;C=Nn1cnc(C=CC)n1;KEODWXMQYIOWCY-UHFFFAOYSA-N;136.16;0.77;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNa_SP2";;;;;;;-0.24;;-3.24;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM427810;MM427810;C=CC12CC(C)C(=C)C1C2;BHZKMBRKDAJUKM-UHFFFAOYSA-N;134.22;2.77;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC4_SC3";;;;;;;3.9;;0.47;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM427811;MM427811;C=NN(C=O)C=CC=CC;DCYSIRCKOJXGOL-UHFFFAOYSA-N;138.17;1.15;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1_P2";;;;;;;1.8;;0.4;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM427812;MM427812;CC(C)c1c[nH]c(CF)c1;BVUOYKJNXXJADF-UHFFFAOYSA-N;141.19;2.61;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC4_SNda";;;;;;;2.2;;0.49;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM427813;MM427813;COCOCC1(C=O)CO1;DFBMWOJAPOSDRN-UHFFFAOYSA-N;146.14;-0.43;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_SP2";;;;;;;-1.06;;-3.82;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM427814;MM427814;N#CC1NC1C(C=O)C=O;CWAPALUAOTZSCJ-UHFFFAOYSA-N;138.13;-1.14;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_SP2";;;;;;;-0.24;;-3.24;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM427815;MM427815;C=Cn1nnc(C=CC)n1;KHHXRSRGQHIISR-UHFFFAOYSA-N;136.16;0.81;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNa_SP1";;;;;;;0.04;;-2.54;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM427816;MM427816;C=C1C(C)CC2(C=O)CC12;TYWYFCWDPLICLW-UHFFFAOYSA-N;136.19;1.79;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNa_SC3";;;;;;;2.57;;0.45;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM427817;MM427817;CC(N)c1c[nH]c(CN)c1;ALNQPGAXWNXUEV-UHFFFAOYSA-N;139.2;0.49;;;;;DOPC;MDCG;27;1;"MARTINI bead: SNd_SP1";;;;;;;0.04;;-4.83;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM427818;MM427818;C=CCCCC1(C=C)CC1;PUNMFSCZOSQLDL-UHFFFAOYSA-N;136.24;3.31;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1_SC4";;;;;;;4.24;;0.42;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM427819;MM427819;C=NN(C=N)C=CC=NN;CRCLEXSNWDZQCU-UHFFFAOYSA-N;139.16;-0.03;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nd_P2";;;;;;;-0.24;;-3.16;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM427820;MM427820;C=CC(C=O)C1OC1C=C;CHDINCCCIMXWJE-UHFFFAOYSA-N;138.17;0.94;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNa_Na";;;;;;;0.87;;-2.22;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM427821;MM427821;CC=Cc1nnn(C=O)n1;HRAHELCYMKXABL-UHFFFAOYSA-N;138.13;-0.26;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNa_SP2";;;;;;;-0.24;;-3.24;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM427822;MM427822;C=C1C(C)CC2(C#N)CC12;WDJLKNDSCHEPFM-UHFFFAOYSA-N;133.19;2.11;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC5_SC3";;;;;;;3.34;;0.48;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM427823;MM427823;COc1cc(C(C)C)c[nH]1;OMIJVUZEWZIYCL-UHFFFAOYSA-N;139.2;2.15;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNda_SC4";;;;;;;2.2;;0.49;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM427824;MM427824;C=CC1(CCCC=O)CC1;JZPFLIQNYLHDSM-UHFFFAOYSA-N;138.21;2.32;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC4_C5";;;;;;;2.97;;0.45;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM427825;MM427825;CN=CN=CN(C=N)C=N;XLVQRORFTBYBAE-UHFFFAOYSA-N;139.16;0.19;;;;;DOPC;MDCG;27;0;"MARTINI bead: N0_P4";;;;;;;-0.88;;-3.74;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM427826;MM427826;C#CC1C=CC(C=CC)=C1;DRBIXOARPGALKY-UHFFFAOYSA-N;130.19;2.31;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC3_SN0";;;;;;;2.87;;0.37;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM427827;MM427827;C=CC1OC1C(C=O)C=O;ADFIZVOMESETJS-UHFFFAOYSA-N;140.14;-0.05;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNa_Na";;;;;;;0.87;;-2.22;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM427828;MM427828;CNc1cc(C(C)C)co1;LIDGCTVVNHSUPL-UHFFFAOYSA-N;139.2;2.44;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNd_SC4";;;;;;;2.2;;0.32;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM427829;MM427829;C=CC12CC(N)C(=C)C1C2;YSKIEPABYSAFST-UHFFFAOYSA-N;135.21;1.47;;;;;DOPC;MDCG;27;1;"MARTINI bead: SC4_SNd";;;;;;;2.2;;-1.91;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM427830;MM427830;C=CC1(CCCC#N)CC1;VUDNYWAKZADLFW-UHFFFAOYSA-N;135.21;2.65;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC4_P1";;;;;;;1.37;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM427831;MM427831;CN=CN=CN(C=N)C=O;HPUTZVICZKGXNM-UHFFFAOYSA-N;140.15;-0.26;;;;;DOPC;MDCG;27;0;"MARTINI bead: N0_P4";;;;;;;-0.88;;-3.74;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM427832;MM427832;C=CC1OC1C(C#N)C=O;LCQONMZDBCQAFZ-UHFFFAOYSA-N;137.14;0.28;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNa_Na";;;;;;;0.87;;-2.22;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM427833;MM427833;C#CC=CC=COC=NN;HXMQHUBYFVHAJE-UHFFFAOYSA-N;136.15;0.61;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_C4";;;;;;;1.37;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM427834;MM427834;COc1cc(C(C)C)co1;MOSPREYHZBJYGP-UHFFFAOYSA-N;140.18;2.41;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNa_SC4";;;;;;;2.2;;0.34;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM427835;MM427835;C=CCCCC1(C=O)CC1;ZXZPAQKZWODXQC-UHFFFAOYSA-N;138.21;2.32;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1_SNa";;;;;;;2.91;;0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM427836;MM427836;C#CCN(N)C(=N)C=NN;IZRBDUYMJKCODA-UHFFFAOYSA-N;139.16;-1.28;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_P2";;;;;;;-1.06;;-3.82;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM427837;MM427837;CN=CN=CN(C=O)C=O;RDKQPXRFTQHARC-UHFFFAOYSA-N;141.13;-0.71;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_P2";;;;;;;-1.34;;-4.31;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM427838;MM427838;C=CC(C=C)C1OC1C#N;TWGJJQHEAYRQDE-UHFFFAOYSA-N;135.17;1.27;;;;;DOPC;MDCG;27;0;"MARTINI bead: C2_SP1";;;;;;;2;;0.29;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM427839;MM427839;CC#CC1=CC(CC)C=C1;MCYCUGIYTPQMFA-UHFFFAOYSA-N;132.21;2.53;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC3_SC4";;;;;;;3.9;;0.47;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM427840;MM427840;C=CCCCC1(C#N)CC1;ZRVNXFSLMZTNDW-UHFFFAOYSA-N;135.21;2.65;;;;;DOPC;MDCG;27;0;"MARTINI bead: C3_SN0";;;;;;;2.87;;0.37;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM427841;MM427841;C#CC(CF)CNN=CC;ILTBZNBWVLCFHP-UHFFFAOYSA-N;142.18;0.8;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nd_Na";;;;;;;0.87;;-1.88;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM427842;MM427842;C=C1C(O)CC2(C=O)CC12;AWXTXGCSGMMOFL-UHFFFAOYSA-N;138.17;0.51;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNa_SNda";;;;;;;0.87;;-1.99;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM427843;MM427843;C=CC(C=O)C1OC1C=O;GMZPSPBWTXVNQR-UHFFFAOYSA-N;140.14;-0.05;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_SP2";;;;;;;-0.24;;-3.24;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM427844;MM427844;C=CN(C=C)C=NN=CC;SJWGLOTWDWBFKJ-UHFFFAOYSA-N;137.19;1.61;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_Nd";;;;;;;1.64;;0.02;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM427845;MM427845;CC#CC1=CC(CN)C=C1;PRBVYZNQQSBNRS-UHFFFAOYSA-N;133.19;1.08;;;;;DOPC;MDCG;27;1;"MARTINI bead: SC4_SNd";;;;;;;2.2;;-2.15;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM427846;MM427846;CCC(C#CCCF)=NN;YZCWPQZOMWLVGN-UHFFFAOYSA-N;142.18;1.07;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nd_Na";;;;;;;0.87;;-1.88;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM427847;MM427847;N#CCCCC1(C=O)CC1;IHUQJDARSCSOOF-UHFFFAOYSA-N;137.18;1.66;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNa_N0";;;;;;;1.17;;-1.18;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM427848;MM427848;C=C1C(O)CC2(C#N)CC12;QJNDTBHYICLRPC-UHFFFAOYSA-N;135.17;0.84;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC5_SNda";;;;;;;1.64;;0.05;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM427849;MM427849;CC#CC1=CC(CO)C=C1;ZZGVEGLZTVDLRT-UHFFFAOYSA-N;134.18;1.11;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC4_SNda";;;;;;;2.2;;0.49;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM427850;MM427850;C=CC(C#N)C1OC1C=O;SIJWALAKFCOMDK-UHFFFAOYSA-N;137.14;0.28;;;;;DOPC;MDCG;27;0;"MARTINI bead: N0_SP2";;;;;;;0.06;;-2.21;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM427851;MM427851;C=CN(C=O)C=NN=CC;MBEJBUISWZOVHR-UHFFFAOYSA-N;139.16;0.62;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_P2";;;;;;;0.54;;-1.09;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM427852;MM427852;CN=c1nnc(N)c(F)o1;RLRLGCJLRSSNDM-UHFFFAOYSA-N;144.11;-0.68;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP2_SP2";;;;;;;-1.34;;-4.31;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM427853;MM427853;C=CC12CC(C)C(=O)C1C2;KFDNKHZSNRNDEA-UHFFFAOYSA-N;136.19;1.79;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC4_SNa";;;;;;;2.2;;0.34;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM427854;MM427854;N#CCCCC1(C#N)CC1;KQVSXMKFJLEMKC-UHFFFAOYSA-N;134.18;1.98;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_SN0";;;;;;;0.34;;-1.53;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM427855;MM427855;C=NNC(C)=CC(=O)CC;KXCCOTLIGQZORI-UHFFFAOYSA-N;140.19;1.07;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_N0";;;;;;;1.17;;-1.18;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM427856;MM427856;CC#CC1=CC(CF)C=C1;PDXDXLMJFWZPHO-UHFFFAOYSA-N;136.17;2.09;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC4_SC5";;;;;;;2.97;;0.45;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM427857;MM427857;C=CC(C#N)C1OC1C#N;RECHTZWRKHWMNY-UHFFFAOYSA-N;134.14;0.6;;;;;DOPC;MDCG;27;0;"MARTINI bead: N0_SP1";;;;;;;0.34;;-1.53;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM427858;MM427858;CC1CC2(C=O)CC2C1=O;JUSNHINCCOVXRZ-UHFFFAOYSA-N;138.17;0.8;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNa_SNa";;;;;;;0.87;;-2.22;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM427859;MM427859;CCc1nc(C(C)C)co1;YGDNUVCTHYZQJL-UHFFFAOYSA-N;139.2;2.36;;;;;DOPC;MDCG;27;0;"MARTINI bead: SN0_SC5";;;;;;;1.94;;0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM427860;MM427860;C=CC1(CCNC=N)CC1;WADCGSVWOIOPPL-UHFFFAOYSA-N;138.21;1.54;;;;;DOPC;MDCG;27;1;"MARTINI bead: SC4_P3";;;;;;;0.23;;-5.2;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM427861;MM427861;C=NN(C=O)C=NC=NO;SJOMPMZPLVSGSU-UHFFFAOYSA-N;142.12;-0.49;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_P2";;;;;;;-1.06;;-3.82;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM427862;MM427862;CC#CC1=CC(NC)C=C1;SGIQDSXRNHDKKG-UHFFFAOYSA-N;133.19;1.09;;;;;DOPC;MDCG;27;1;"MARTINI bead: SNd_SC4";;;;;;;2.2;;-0.92;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM427863;MM427863;N#CC(C=O)C1OC1C#N;YGQGAVFIYKSUPX-UHFFFAOYSA-N;136.11;-0.38;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_SP1";;;;;;;0.04;;-2.54;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM427864;MM427864;CC1CC2(C#N)CC2C1=O;AFFLGODUFYUFSA-UHFFFAOYSA-N;135.17;1.13;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC5_SNa";;;;;;;1.64;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM427865;MM427865;CCc1nc(=NN)n(C)o1;SISGYCTUPZIJKI-UHFFFAOYSA-N;142.16;-0.65;;;;;DOPC;MDCG;27;0;"MARTINI bead: SN0_SP2";;;;;;;0.06;;-2.21;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM427866;MM427866;NN=c1occ(C2CO2)o1;LAAWSMAOBXEFGZ-UHFFFAOYSA-N;142.11;-0.28;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP2_SP1";;;;;;;-1.06;;-3.82;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM427867;MM427867;CC#CC1=CC(OC)C=C1;PMHBEYZJPHKJMO-UHFFFAOYSA-N;134.18;1.52;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNa_SC4";;;;;;;2.2;;0.34;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM427868;MM427868;C=NN(C=N)C=NN=CC;KZUANWFJNDVSHL-UHFFFAOYSA-N;139.16;0.55;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_P2";;;;;;;0.54;;-1.09;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM427869;MM427869;C=CC(C=C)C1CN1C=N;LZGYWEWGMCVYMX-UHFFFAOYSA-N;136.2;1.27;;;;;DOPC;MDCG;27;1;"MARTINI bead: C2_SP2";;;;;;;1.72;;-2.29;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM427870;MM427870;O=CC12CC(O)C(=O)C1C2;SFPSVCKGVRKZHJ-UHFFFAOYSA-N;140.14;-0.47;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNa_SP1";;;;;;;0.04;;-2.54;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM427871;MM427871;CNc1nc(C(C)C)n[nH]1;MNERHLVOWPZTOF-UHFFFAOYSA-N;140.19;0.97;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP1_SNda";;;;;;;0.04;;-2.73;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM427872;MM427872;N=CNCCC1(C=O)CC1;MTQRSDGKNCHLDL-UHFFFAOYSA-N;140.19;0.55;;;;;DOPC;MDCG;27;1;"MARTINI bead: P3_SNa";;;;;;;-1.1;;-8.17;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM427873;MM427873;CC#Cc1ccn(CC)c1;BFOVIOJXKSCVEG-UHFFFAOYSA-N;133.19;1.88;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC5_SC5";;;;;;;2.41;;0.64;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM427874;MM427874;C=CC(C=O)C1CN1C=N;RFTCBUPRWIALKS-UHFFFAOYSA-N;138.17;0.28;;;;;DOPC;MDCG;27;1;"MARTINI bead: Na_SP2";;;;;;;-0.24;;-6.18;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM427875;MM427875;N#CC12CC(O)C(=O)C1C2;IYFIYTLGBWTMLA-UHFFFAOYSA-N;137.14;-0.15;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC5_SP1";;;;;;;0.81;;-0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM427876;MM427876;C=NN(C=O)C=NN=CC;ULNIVWPUMKLERM-UHFFFAOYSA-N;140.15;0.09;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_P2";;;;;;;0.54;;-1.09;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM427877;MM427877;CC(C)C1=CCC(C=O)=C1;GJNJWMJPECSMGQ-UHFFFAOYSA-N;136.19;2.1;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC3_SNa";;;;;;;2.57;;0.45;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM427878;MM427878;N#CC1(CCNC=N)CC1;YLTFNVCYKBHPOB-UHFFFAOYSA-N;137.19;0.88;;;;;DOPC;MDCG;27;1;"MARTINI bead: P3_SN0";;;;;;;-0.8;;-6.97;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM427879;MM427879;CC#Cc1ccn(NC)c1;QTCSRSDBQLOSDP-UHFFFAOYSA-N;134.18;1.03;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNd_SC5";;;;;;;1.64;;0.02;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM427880;MM427880;C=CC(C#N)C1CN1C=N;FSIOHISWIJCYRW-UHFFFAOYSA-N;135.17;0.6;;;;;DOPC;MDCG;27;1;"MARTINI bead: N0_SP2";;;;;;;0.06;;-4.99;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM427881;MM427881;C=CN(C=N)N=CC=CC;RHLQSJIURWQDOB-UHFFFAOYSA-N;137.19;1.6;;;;;DOPC;MDCG;27;0;"MARTINI bead: C2_P3";;;;;;;0.86;;-0.29;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM427882;MM427882;C=CC12CC1C(=C)C(C)N2;GFQAVMNJMGAFEV-UHFFFAOYSA-N;135.21;1.48;;;;;DOPC;MDCG;27;1;"MARTINI bead: SNd_SN0";;;;;;;1.17;;-3.26;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM427883;MM427883;NN=c1occ(N2CC2)o1;XINCKHHASKEWQA-UHFFFAOYSA-N;141.13;-0.53;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP2_SP2";;;;;;;-1.34;;-4.31;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM427884;MM427884;CC(C)C1=CCC(C#N)=C1;VUJDPBAULHSYAS-UHFFFAOYSA-N;133.19;2.42;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC3_SN0";;;;;;;2.87;;0.37;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM427885;MM427885;CC#Cc1ccn(OC)c1;LAMHDBAYFIBMNI-UHFFFAOYSA-N;135.17;0.92;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNa_SC5";;;;;;;1.64;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM427886;MM427886;C=CC(C=C)C1CN1C=O;OVKZXBVDGZWKIR-UHFFFAOYSA-N;137.18;0.82;;;;;DOPC;MDCG;27;0;"MARTINI bead: C2_SP2";;;;;;;1.72;;0.27;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM427887;MM427887;C=CN(C=N)N=CC=CF;ZBDJAKDTNOEYNJ-UHFFFAOYSA-N;141.15;1.51;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_P1";;;;;;;0.81;;-0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM427888;MM427888;C=C1C(C)NC2(C#N)CC12;BUAVTCRTTDWVEE-UHFFFAOYSA-N;134.18;0.82;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP1_SN0";;;;;;;0.34;;-1.53;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM427889;MM427889;CC(O)C1=CCC(C=O)=C1;VPDCPUFUAOHCMK-UHFFFAOYSA-N;138.17;0.82;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNda_SNa";;;;;;;0.87;;-1.99;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM427890;MM427890;N#CC1(CCNC=O)CC1;ATFGTMYCZNRFCU-UHFFFAOYSA-N;138.17;0.43;;;;;DOPC;MDCG;27;0;"MARTINI bead: P3_SN0";;;;;;;-0.8;;-2.99;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM427891;MM427891;C=CC(C#N)C1CN1C=O;CBAJZDQWUVPNTI-UHFFFAOYSA-N;136.15;0.15;;;;;DOPC;MDCG;27;0;"MARTINI bead: N0_SP2";;;;;;;0.06;;-2.21;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM427892;MM427892;C=CN(C=O)N=CC=CC;XHHGHYLOMIUKRK-UHFFFAOYSA-N;138.17;1.15;;;;;DOPC;MDCG;27;0;"MARTINI bead: C2_P2";;;;;;;1.72;;0.27;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM427893;MM427893;CC#Cc1cnn(CC)c1;TYRXLCDSKPQYBL-UHFFFAOYSA-N;134.18;1.27;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNa_SP1";;;;;;;0.04;;-2.54;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM427894;MM427894;N=C(C=NN)N(N)C=CF;ZSWJCSIXJYDHPB-UHFFFAOYSA-N;145.14;-0.48;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_P1";;;;;;;-0.79;;-3.13;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM427895;MM427895;C=Cc1cc(C(C)C)c[nH]1;HWVXDANLTIAGOV-UHFFFAOYSA-N;135.21;2.78;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC4_SNd";;;;;;;2.2;;0.32;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM427896;MM427896;C=CC1(CCNN=C)CC1;LECREVFITHSFKH-UHFFFAOYSA-N;138.21;1.55;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC4_P2";;;;;;;1.09;;-0.37;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM427897;MM427897;C=CC(C=C)C1CN1N=C;YEZTXHIOJMACRL-UHFFFAOYSA-N;136.2;1.27;;;;;DOPC;MDCG;27;0;"MARTINI bead: C2_SP2";;;;;;;1.72;;0.27;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM427898;MM427898;C=CN(C=O)N=CC=CN;IJXLQFKAESVHHH-UHFFFAOYSA-N;139.16;0.05;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nd_P2";;;;;;;-0.24;;-3.16;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM427899;MM427899;CC#Cc1cnn(NC)c1;BHQLJBDRLNAGOV-UHFFFAOYSA-N;135.17;0.43;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP1_SP1";;;;;;;-0.79;;-3.13;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM427900;MM427900;C=CC12CC1C(=C)C(C)O2;VVRIAEYWBZQLBA-UHFFFAOYSA-N;136.19;1.91;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNa_SN0";;;;;;;1.17;;-1.18;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM427901;MM427901;CC(C)c1c[nH]c(C#N)c1;ARHNRHQCEZRBJM-UHFFFAOYSA-N;134.18;2.01;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC4_SNd";;;;;;;2.2;;0.32;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM427902;MM427902;C=NNCCC1(C=O)CC1;FIBRAZLXHUCWBS-UHFFFAOYSA-N;140.19;0.56;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_SNa";;;;;;;-0.24;;-3.24;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM427903;MM427903;NC=CC=NN(C=O)C=O;BHFVYMVNCYEYPY-UHFFFAOYSA-N;141.13;-0.94;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nd_P3";;;;;;;-1.1;;-3.93;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM427904;MM427904;CCC=NNCCC(C)=O;WSAAQZYSDANMLM-UHFFFAOYSA-N;142.2;0.95;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nd_Na";;;;;;;0.87;;-1.88;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM427905;MM427905;CC#Cc1cnn(OC)c1;VBWIDNGKSJTSLX-UHFFFAOYSA-N;136.15;0.31;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNa_SP1";;;;;;;0.04;;-2.54;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM427906;MM427906;C=C1C(C)OC2(C#N)CC12;XRAQHRNEUJDYGG-UHFFFAOYSA-N;135.17;1.24;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNa_SN0";;;;;;;1.17;;-1.18;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM427907;MM427907;C=Cc1cc(C(C)C)co1;GVGPVGFJHXUNDZ-UHFFFAOYSA-N;136.19;3.05;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC4_SC5";;;;;;;2.97;;0.45;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM427908;MM427908;NN=C1OCCO1;LYMFGRQWBHSUBZ-UHFFFAOYSA-N;102.09;-0.74;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP2_SP1";;;;;;;-1.06;;-3.82;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM427909;MM427909;C=CC1(O)C(C)C1C(=C)C;WMDNHRIGRWTECT-UHFFFAOYSA-N;138.21;1.75;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4_SNda";;;;;;;2.2;;0.49;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM427910;MM427910;C=CC(C#N)C1CN1N=C;QTPCTKPEMQHABE-UHFFFAOYSA-N;135.17;0.61;;;;;DOPC;MDCG;27;0;"MARTINI bead: N0_SP2";;;;;;;0.06;;-2.21;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM427911;MM427911;CC#Cc1cn(CC)cn1;GLCNJKNYYDFQJE-UHFFFAOYSA-N;134.18;1.27;;;;;DOPC;MDCG;27;0;"MARTINI bead: SN0_SNa";;;;;;;1.17;;-1.18;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM427912;MM427912;C=CC12CC1C(=O)C(C)O2;XNJWKHYMQATKSC-UHFFFAOYSA-N;138.17;0.92;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNa_SP1";;;;;;;0.04;;-2.54;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM427913;MM427913;CC(C)c1coc(C=O)c1;RNFIHRJWAKWIEM-UHFFFAOYSA-N;138.17;2.22;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC4_SNa";;;;;;;2.2;;0.34;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM427914;MM427914;C=COCCC1(C=C)CC1;OHFFTWOBLWLPFM-UHFFFAOYSA-N;138.21;2.5;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_SC4";;;;;;;2.2;;0.34;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM427915;MM427915;C=C(C)C(O)CC1(C)CC1;DLXSBGANLJODFC-UHFFFAOYSA-N;140.23;2.11;;;;;DOPC;MDCG;27;0;"MARTINI bead: N0_SC5";;;;;;;1.94;;0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM427916;MM427916;C=NN1CC1C(C#N)C#N;ZJUPUXNYOQHKAT-UHFFFAOYSA-N;134.14;-0.05;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP2_P2";;;;;;;-1.34;;-4.31;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM427917;MM427917;CC1OC2(C#N)CC2C1=O;QHJVIIXFGNXNGO-UHFFFAOYSA-N;137.14;0.26;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNa_SP1";;;;;;;0.04;;-2.54;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM427918;MM427918;CC#Cc1cn(NC)cn1;DZXPDHIAJSHZDD-UHFFFAOYSA-N;135.17;0.43;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP2_SNa";;;;;;;-0.24;;-3.24;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM427919;MM427919;N#CC(N)=NC=CC(=O)O;VEPDQKVHGVFATP-UHFFFAOYSA-N;139.11;-0.53;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_P1";;;;;;;-1.06;;-8.72;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM427920;MM427920;C=CC1(CCOC=O)CC1;RBUWKPBRODFNKL-UHFFFAOYSA-N;140.18;1.52;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC4_P1";;;;;;;1.37;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM427921;MM427921;C=CC(C=C)N1CC1C=C;SGGFYYKWXVDWMH-UHFFFAOYSA-N;135.21;1.6;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP1_Nd";;;;;;;0.04;;-2.63;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM427922;MM427922;N=CN(C=N)N=CC=NO;HCXJTZTYSXGPQM-UHFFFAOYSA-N;141.13;-0.05;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_P2";;;;;;;-1.06;;-3.82;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM427923;MM427923;C=CC12CC1C(=N)N(C)C2;KBNLNUCTTYBEIE-UHFFFAOYSA-N;136.2;1.1;;;;;DOPC;MDCG;27;1;"MARTINI bead: SP1_SNd";;;;;;;0.04;;-7.25;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM427924;MM427924;CC#Cc1cn(OC)cn1;XGJSCDFWXARLJA-UHFFFAOYSA-N;136.15;0.31;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP1_SNa";;;;;;;0.04;;-2.54;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM427925;MM427925;C=Cc1nc(C(C)C)co1;ATXKGGZCAZXBDG-UHFFFAOYSA-N;137.18;2.44;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC5_SN0";;;;;;;1.94;;0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM427926;MM427926;C=COCCC1(C=O)CC1;HAHUJMSLYABUEV-UHFFFAOYSA-N;140.18;1.52;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_SNa";;;;;;;0.87;;-2.22;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM427927;MM427927;C=CC(C#N)N1CC1C=C;OIGCTVHFZWFJAF-UHFFFAOYSA-N;134.18;0.93;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP1_P1";;;;;;;-0.79;;-3.13;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM427928;MM427928;N=CN(C=O)N=CC=NO;BSNCCOBMXGJPPR-UHFFFAOYSA-N;142.12;-0.5;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_P2";;;;;;;-1.06;;-3.82;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM427929;MM427929;CN1CC2(C#N)CC2C1=N;CHHWDMQUTOXBIY-UHFFFAOYSA-N;135.17;0.44;;;;;DOPC;MDCG;27;1;"MARTINI bead: SP1_SNd";;;;;;;0.04;;-6.84;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM427930;MM427930;CC#Cc1cn(CC)nn1;LCNWBBGCDGRJMW-UHFFFAOYSA-N;135.17;0.67;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNa_SNa";;;;;;;0.87;;-2.22;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM427931;MM427931;C=COCCC1(C#N)CC1;IPDCPJKXUDWDJL-UHFFFAOYSA-N;137.18;1.84;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_SN0";;;;;;;1.17;;-1.18;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM427932;MM427932;CC(C)c1coc(C=O)n1;XYTWSSNIORXYMV-UHFFFAOYSA-N;139.15;1.61;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC5_SP1";;;;;;;0.81;;-0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM427933;MM427933;C=CC1CN1C(C#N)C#N;QIMSWQXQWFOETM-UHFFFAOYSA-N;133.15;0.27;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP1_P2";;;;;;;-1.06;;-3.82;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM427934;MM427934;CNc1nc(=N)nc(C)o1;YLIZJTKTBMAEKP-UHFFFAOYSA-N;140.15;-0.1;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_SP2";;;;;;;-1.34;;-4.31;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM427935;MM427935;C=CC12CC1C(=N)N(N)C2;HGTWGNUBKHMUFD-UHFFFAOYSA-N;137.19;0.35;;;;;DOPC;MDCG;27;1;"MARTINI bead: SP1_SP2";;;;;;;-1.06;;-6.61;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM427936;MM427936;CC#Cc1cn(NC)nn1;KNNYYOVWMYKYQN-UHFFFAOYSA-N;136.16;-0.18;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP2_SNa";;;;;;;-0.24;;-3.24;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM427937;MM427937;O=COCCC1(C=O)CC1;FMQNYNIZBUXZBJ-UHFFFAOYSA-N;142.15;0.53;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_SNa";;;;;;;0.04;;-2.54;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM427938;MM427938;C#CC1=CC(C(C)C)=CC1;QELOGYIFLJSYNY-UHFFFAOYSA-N;132.21;2.53;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC3_SC5";;;;;;;3.34;;0.48;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM427939;MM427939;CCON=CCCC(C)=O;KZJYTXYGCMVRJY-UHFFFAOYSA-N;143.19;1.38;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_Na";;;;;;;0.87;;-2.22;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM427940;MM427940;C=CC12CC1C(=O)N(C)C2;XKIOIBRRGQZPAI-UHFFFAOYSA-N;137.18;0.65;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP1_SP1";;;;;;;-0.79;;-3.13;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM427941;MM427941;O=CN(C=O)N=CC=NO;FAIFCOBELHHIPV-UHFFFAOYSA-N;143.1;-0.95;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_P2";;;;;;;-1.06;;-3.82;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM427942;MM427942;CC#Cc1cn(OC)nn1;SLFKCCPUAQMPSC-UHFFFAOYSA-N;137.14;-0.29;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP1_SNa";;;;;;;0.04;;-2.54;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM427943;MM427943;C=CC=NNC(=N)COC;BWIZKFFMRZCZGV-UHFFFAOYSA-N;141.17;0.37;;;;;DOPC;MDCG;27;0;"MARTINI bead: P3_C4";;;;;;;0.23;;-1.03;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM427944;MM427944;C#CC1=CC(C(C)O)=CC1;DESRDAMPXOGSPV-UHFFFAOYSA-N;134.18;1.26;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNda_SC5";;;;;;;1.64;;0.05;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM427945;MM427945;N#CC1(CCOC=O)CC1;RKQHUVGTVOMKKR-UHFFFAOYSA-N;139.15;0.85;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_SN0";;;;;;;0.34;;-1.53;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM427946;MM427946;C#CC(C=C)C=CC=CC;ROBPRBXRCCVGIW-UHFFFAOYSA-N;132.21;2.55;;;;;DOPC;MDCG;27;0;"MARTINI bead: C2_C4";;;;;;;4.16;;0.44;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM427947;MM427947;CN1CC2(C#N)CC2C1=O;HKVNDRBPIDSQAC-UHFFFAOYSA-N;136.15;-0.01;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP1_SP1";;;;;;;-0.79;;-3.13;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM427948;MM427948;CC#Cc1ccn(CC)n1;QBNOPMZMPQVADK-UHFFFAOYSA-N;134.18;1.27;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNa_SN0";;;;;;;1.17;;-1.18;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM427949;MM427949;C=CC(C#N)N1CC1C#N;UYWPIQISGHPUHO-UHFFFAOYSA-N;133.15;0.27;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_SP2";;;;;;;-1.06;;-3.82;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM427950;MM427950;C=CC1(CCON=C)CC1;ILLFINYZCYLYHN-UHFFFAOYSA-N;139.2;1.97;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC4_P1";;;;;;;1.37;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM427951;MM427951;C#Cc1cc(C(C)C)c[nH]1;DDBZEGCATFUDLU-UHFFFAOYSA-N;133.19;2.12;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC4_SNd";;;;;;;2.2;;0.32;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM427952;MM427952;C=CC12CC1C(=O)N(N)C2;ORFPHTFGWMAPFY-UHFFFAOYSA-N;138.17;-0.11;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP1_SP2";;;;;;;-1.06;;-3.82;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM427953;MM427953;C#CC(C=C)C=CC=CF;VSWFITRDEATPBV-UHFFFAOYSA-N;136.17;2.46;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4_C4";;;;;;;3.53;;0.53;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM427954;MM427954;CC#Cc1ccn(NC)n1;CEZWACYKBKTEJT-UHFFFAOYSA-N;135.17;0.43;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP1_SN0";;;;;;;0.34;;-1.53;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM427955;MM427955;N#CC(C=O)N1CC1C=O;OQLQQSPCCOIBIK-UHFFFAOYSA-N;138.13;-1.04;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP2_P3";;;;;;;-2.2;;-5.19;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM427956;MM427956;C=NOCCC1(C=O)CC1;QVJHAZBQBVLPQR-UHFFFAOYSA-N;141.17;0.99;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_SNa";;;;;;;0.04;;-2.54;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM427957;MM427957;C#Cc1cc(C(C)C)co1;VXKLGWPCRWMBEG-UHFFFAOYSA-N;134.18;2.38;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC4_SN0";;;;;;;2.5;;0.44;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM427958;MM427958;C#CC(C=O)C=CC=CF;YKDOCHHSGDWBPK-UHFFFAOYSA-N;138.14;1.47;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4_Na";;;;;;;2.2;;0.34;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM427959;MM427959;C=CC12CC1C(=N)N(C)N2;ABOQOKKYJQMMAN-UHFFFAOYSA-N;137.19;0.36;;;;;DOPC;MDCG;27;1;"MARTINI bead: SP2_SP3";;;;;;;-2.2;;-7.92;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM427960;MM427960;N#CC(C#N)N1CC1C#N;SZYWUYQWULJOMJ-UHFFFAOYSA-N;132.13;-0.39;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP2_P2";;;;;;;-1.34;;-4.31;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM427961;MM427961;CC#Cc1ccn(OC)n1;VVBBXCXNZGERDT-UHFFFAOYSA-N;136.15;0.31;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNa_SN0";;;;;;;1.17;;-1.18;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM427962;MM427962;CN1NC2(C#N)CC2C1=N;FYWSFURDFFYXGY-UHFFFAOYSA-N;136.16;-0.3;;;;;DOPC;MDCG;27;1;"MARTINI bead: SP2_SP3";;;;;;;-2.2;;-7.63;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM427963;MM427963;C=NOCCC1(C#N)CC1;GFGGTYWWAFSVBD-UHFFFAOYSA-N;138.17;1.31;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_SN0";;;;;;;0.34;;-1.53;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM427964;MM427964;Cn1oc(CF)nc1=NN;XEPZWTJPFMSOMA-UHFFFAOYSA-N;146.13;-0.74;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNa_SP2";;;;;;;-0.24;;-3.24;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM427965;MM427965;C#CC(C=C)C=CC=NO;CSRXRPKIUQXUGI-UHFFFAOYSA-N;135.17;1.44;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_C4";;;;;;;1.37;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM427966;MM427966;C=CC1CN1N(C=C)C=O;BIOJMAJZXHGUHK-UHFFFAOYSA-N;138.17;0.37;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP1_P2";;;;;;;-1.06;;-3.82;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM427967;MM427967;C=CCNCC1(C=C)CC1;RYSMYCKOXFNWGR-UHFFFAOYSA-N;137.23;1.73;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_SC4";;;;;;;2.2;;-1.79;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM427968;MM427968;C=CC12CC1C(=O)N(C)N2;VQZKHMVZYXNKQQ-UHFFFAOYSA-N;138.17;-0.09;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP2_SP3";;;;;;;-2.2;;-5.19;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM427969;MM427969;CC#Cc1cnn(CC)n1;VQJKFUSBWKOTKP-UHFFFAOYSA-N;135.17;0.67;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNa_SN0";;;;;;;1.17;;-1.18;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM427970;MM427970;C#Cc1nc(C(C)C)co1;FRFBGHQNTAUPRX-UHFFFAOYSA-N;135.17;1.78;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC5_SN0";;;;;;;1.94;;0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM427971;MM427971;C#CC(C#N)C=CC=NO;CICKTVCKNXGXBT-UHFFFAOYSA-N;134.14;0.78;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_N0";;;;;;;0.34;;-1.53;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM427972;MM427972;C=CC1CN1N(C=N)C=O;DQHMDQBNOKYOFU-UHFFFAOYSA-N;139.16;-0.16;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP1_P4";;;;;;;-2.01;;-5.13;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM427973;MM427973;C=CC1(CNCC#N)CC1;QQPATTGPHIBCTG-UHFFFAOYSA-N;136.2;1.07;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC4_P2";;;;;;;1.09;;-0.37;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM427974;MM427974;CC(=O)N(N)C(=N)C=NN;VLZAJWKBPUOPHL-UHFFFAOYSA-N;143.15;-1.37;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_P3";;;;;;;-1.1;;-4.2;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM427975;MM427975;CC#Cc1ncn(CC)n1;CPYRNJBJRHOYPY-UHFFFAOYSA-N;135.17;0.67;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP1_SNa";;;;;;;0.04;;-2.54;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM427976;MM427976;C#CC(C=C)C=NN=CC;MNABVPDEPLKTGJ-UHFFFAOYSA-N;134.18;1.5;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_C5";;;;;;;2.41;;0.64;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM427977;MM427977;C=C(C)C1=CCC(CC)=C1;PPNCEPWEUDDQOP-UHFFFAOYSA-N;134.22;3.23;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC3_SC3";;;;;;;4.27;;0.2;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM427978;MM427978;C=CN(C=O)N1CC1C=O;DJMHNCLCAHHXGU-UHFFFAOYSA-N;140.14;-0.61;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_SP2";;;;;;;-1.34;;-4.31;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM427979;MM427979;C=CCNCC1(C=O)CC1;GTGGWGYTCHSNJT-UHFFFAOYSA-N;139.2;0.74;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_SNa";;;;;;;0.87;;-3.86;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM427980;MM427980;C=CC12CC(C)C(=C)C1N2;FNXDSAUSPZTKJH-UHFFFAOYSA-N;135.21;1.48;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNd_SC3";;;;;;;2.57;;0.55;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM427981;MM427981;CC#Cc1ncn(NC)n1;LDXBVFZWNOVNDX-UHFFFAOYSA-N;136.16;-0.18;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP2_SNa";;;;;;;-0.24;;-3.24;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM427982;MM427982;C#CC(C#N)C=NN=CC;FYKCFMGLPRPZQT-UHFFFAOYSA-N;133.15;0.84;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_N0";;;;;;;1.94;;0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM427983;MM427983;C#CC(C=C)C1CC1C=C;YGMQMVVKTIWMTB-UHFFFAOYSA-N;132.21;2.24;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC4_C5";;;;;;;2.97;;0.45;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM427985;MM427985;C=C(C)C1=CCC(CN)=C1;WOOTYKDSIJKKAF-UHFFFAOYSA-N;135.21;1.78;;;;;DOPC;MDCG;27;1;"MARTINI bead: SC3_SNd";;;;;;;2.57;;-0.95;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM427984;MM427984;N#CCNCC1(C=O)CC1;OMFNMMQDTXSTRI-UHFFFAOYSA-N;138.17;0.08;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNa_P2";;;;;;;-0.24;;-3.24;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM427986;MM427986;C=C1C(C)CC2(C=O)NC12;KVIWBORUPYVNIT-UHFFFAOYSA-N;137.18;0.49;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP1_SC3";;;;;;;1.74;;0.29;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM427987;MM427987;CC#Cc1ncn(OC)n1;CIKHDFVXADLQNK-UHFFFAOYSA-N;137.14;-0.29;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP1_SNa";;;;;;;0.04;;-2.54;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM427988;MM427988;C#CC(C#C)C=CC=CC;HYZXVHHGKLWPFW-UHFFFAOYSA-N;130.19;2;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1_N0";;;;;;;3.21;;0.46;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM427989;MM427989;C=C(C)C1=CCC(CO)=C1;MXHYVYMBLZBQKA-UHFFFAOYSA-N;136.19;1.81;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC3_SNda";;;;;;;2.57;;0.44;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM427990;MM427990;C#CC(C=O)C1CC1C=C;LZFBTEHJHXAYIM-UHFFFAOYSA-N;134.18;1.26;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC4_Na";;;;;;;2.2;;0.34;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM427991;MM427991;NN=CC(CF)=NN;ZCVVUHRVNUOJBX-UHFFFAOYSA-N;118.12;-0.78;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_P1";;;;;;;-0.79;;-3.13;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM427992;MM427992;C=C1C(C)CC2(C#N)NC12;OBBYLAZXIDKWLR-UHFFFAOYSA-N;134.18;0.82;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP1_SC3";;;;;;;1.74;;0.29;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM427993;MM427993;CC#Cc1nnn(CC)n1;XKUITXIBGDQMBD-UHFFFAOYSA-N;136.16;0.06;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP1_SNa";;;;;;;0.04;;-2.54;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM427994;MM427994;C=C(C)C1=CCC(CF)=C1;CBYMQGGWWLJCBH-UHFFFAOYSA-N;138.19;2.79;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC3_SC5";;;;;;;3.34;;0.48;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM427995;MM427995;C#CC(C#C)C=CC=NO;USBOKQWYJJFEIH-UHFFFAOYSA-N;133.15;0.89;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_C5";;;;;;;0.81;;-0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM427996;MM427996;C#CC(C#N)C1CC1C=C;VOZCDHGQKCSDDQ-UHFFFAOYSA-N;131.18;1.58;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC4_N0";;;;;;;2.5;;0.44;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM427997;MM427997;C=CC1(CNNC=N)CC1;LCFOIHNCHCAIBR-UHFFFAOYSA-N;139.2;0.65;;;;;DOPC;MDCG;27;1;"MARTINI bead: SC4_P4";;;;;;;0.15;;-4.95;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM427998;MM427998;C=CC12CC(N)C(=C)C1N2;AFPIJDYAHUGTBH-UHFFFAOYSA-N;136.2;0.17;;;;;DOPC;MDCG;27;1;"MARTINI bead: SNd_SNd";;;;;;;0.87;;-4.22;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM427999;MM427999;C=CC1C=CC(C#CC)=C1;NWHVZUKHSOEILJ-UHFFFAOYSA-N;130.19;2.31;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC4_SC4";;;;;;;3.53;;0.53;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM428000;MM428000;C#CC(C=C)C1CC1C#N;MIMKODVPWCUANL-UHFFFAOYSA-N;131.18;1.58;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_SN0";;;;;;;1.94;;0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM428001;MM428001;C#CC(C#C)C=NN=CC;ANELUUBOAIGXOV-UHFFFAOYSA-N;132.17;0.95;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_N0";;;;;;;1.94;;0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM428002;MM428002;CC1COC(=NN)O1;UHHHHOWEANSEDJ-UHFFFAOYSA-N;116.12;-0.35;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP1_SP2";;;;;;;-1.06;;-3.82;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM428003;MM428003;C=C(C)C1=CCC(OC)=C1;ZAFRDOIOSSFTTR-UHFFFAOYSA-N;136.19;2.42;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC5_SC3";;;;;;;3.34;;0.48;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM428004;MM428004;C=NN=C(C=CN)C=NN;WOXJTIQCFCSBIT-UHFFFAOYSA-N;139.16;-0.54;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_Nd";;;;;;;0.04;;-2.63;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM428005;MM428005;CC#CC1=CC(C=O)C=C1;BVFPCHUUXNCNRW-UHFFFAOYSA-N;132.16;1.32;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC4_SNa";;;;;;;2.2;;0.34;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM428006;MM428006;N=CNNCC1(C=O)CC1;YJEMIPGVVAEZOD-UHFFFAOYSA-N;141.17;-0.33;;;;;DOPC;MDCG;27;1;"MARTINI bead: P4_SNa";;;;;;;-1.19;;-7.57;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM428007;MM428007;CC#CC=CC(CC)CC;YAUAICVJNBYETC-UHFFFAOYSA-N;136.24;3;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1_C4";;;;;;;4.24;;0.42;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM428008;MM428008;C#CC(C=O)C1CC1C=O;LLWKCZPGJAIXNI-UHFFFAOYSA-N;136.15;0.27;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNa_Na";;;;;;;0.87;;-2.22;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM428009;MM428009;C=C(C)c1c[nH]c(CN)c1;HDPBSPFYBKQKTL-UHFFFAOYSA-N;136.2;1.51;;;;;DOPC;MDCG;27;1;"MARTINI bead: SC5_SP1";;;;;;;0.81;;-1.89;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM428010;MM428010;CN(N)C(C=NN)=NC=N;NZDGLGYBCCGGAC-UHFFFAOYSA-N;142.17;-1.26;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_P1";;;;;;;-1.06;;-3.82;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM428011;MM428011;C=Cn1ccc(C#CC)c1;AUOATGBMEOGFEM-UHFFFAOYSA-N;131.18;1.96;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC5_SN0";;;;;;;1.94;;0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM428012;MM428012;Cc1[nH]cc(N)c1C;UMCDLMJWBUGQPI-UHFFFAOYSA-N;110.16;1.21;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNd_SNd";;;;;;;0.87;;-2.11;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM428013;MM428013;C#CC(C#N)C1CC1C=O;XGGCVUQLDLPYIE-UHFFFAOYSA-N;133.15;0.59;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNa_N0";;;;;;;1.17;;-1.18;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM428014;MM428014;CC=NN1CC(C(C)=O)C1;OSCAKYYNMPSIBU-UHFFFAOYSA-N;140.19;0.51;;;;;DOPC;MDCG;27;0;"MARTINI bead: SN0_SP1";;;;;;;0.34;;-1.53;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM428015;MM428015;C=C(C)c1c[nH]c(CO)c1;ZZNOQBLMHXLFLK-UHFFFAOYSA-N;137.18;1.54;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC5_SNda";;;;;;;1.64;;0.05;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM428016;MM428016;CC#CC=CC(CC)CN;SMLJJLANBLSPMR-UHFFFAOYSA-N;137.23;1.55;;;;;DOPC;MDCG;27;1;"MARTINI bead: C5_C4";;;;;;;2.97;;-0.04;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM428017;MM428017;CC#Cc1ccn(C=N)c1;IAFCNLDNDWQNLP-UHFFFAOYSA-N;132.17;1.31;;;;;DOPC;MDCG;27;1;"MARTINI bead: SC5_SNd";;;;;;;1.64;;-2.78;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM428018;MM428018;C=CCOCC1(C=C)CC1;ZPTSHWGLLWWBIZ-UHFFFAOYSA-N;138.21;2.16;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_SC4";;;;;;;2.2;;0.34;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM428019;MM428019;CC=Cn1nc(N)c(=O)o1;LMGFELMQZFUWFD-UHFFFAOYSA-N;141.13;-0.09;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP2_SNa";;;;;;;-0.24;;-3.24;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM428020;MM428020;C=NNC(=N)C#CCCC;QUNVWHNESKEODN-UHFFFAOYSA-N;137.19;0.97;;;;;DOPC;MDCG;27;0;"MARTINI bead: C3_P2";;;;;;;1.46;;-0.15;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM428021;MM428021;C=C(C)c1c[nH]c(CF)c1;XTFYSXMYIAEBHJ-UHFFFAOYSA-N;139.17;2.52;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC5_SNda";;;;;;;1.64;;0.05;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM428022;MM428022;C#CCCCC(O)CCC;YMPCBKPZRDQJGY-UHFFFAOYSA-N;140.23;1.95;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda_C3";;;;;;;2.57;;0.44;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM428023;MM428023;CC#Cc1ccn(C=O)c1;RWJJCIVUBIVVSL-UHFFFAOYSA-N;133.15;0.9;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC5_SNa";;;;;;;1.64;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM428024;MM428024;C=CCC#CC(=N)NN=C;TUTHZNBOSLDROX-UHFFFAOYSA-N;135.17;0.75;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_P1";;;;;;;0.81;;-0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM428025;MM428025;Cc1nc(=O)n(C)nc1N;MQBRWQKCJIAVBW-UHFFFAOYSA-N;140.15;-0.93;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP2_SP2";;;;;;;-1.34;;-4.31;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM428026;MM428026;C=CC1(COCC=O)CC1;ONIIMEAMTQDANK-UHFFFAOYSA-N;140.18;1.17;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC4_P1";;;;;;;1.37;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM428027;MM428027;C=C(C)c1c[nH]c(OC)c1;UOMFRGIHVSUJSC-UHFFFAOYSA-N;137.18;2.06;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNda_SC5";;;;;;;1.64;;0.05;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM428028;MM428028;CC#CC=CC(CC)CF;YVPLHCZTPVUNEX-UHFFFAOYSA-N;140.2;2.56;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4_C4";;;;;;;3.53;;0.53;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM428029;MM428029;N#CC12CC(O)C(=O)C1N2;WSWWIHMUGLRFII-UHFFFAOYSA-N;138.13;-1.45;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP1_SP1";;;;;;;-0.79;;-3.13;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM428030;MM428030;C=Nn1ccc(C#CC)c1;YFMQLDMNFMCHDB-UHFFFAOYSA-N;132.17;1.32;;;;;DOPC;MDCG;27;1;"MARTINI bead: SC5_SN0";;;;;;;1.94;;-0.31;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM428031;MM428031;C=CC1(COCC#N)CC1;YGSOBGVRSKMXAS-UHFFFAOYSA-N;137.18;1.49;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC4_P1";;;;;;;1.37;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM428032;MM428032;C#CC(C=C)C1NC1C#N;RDXHWWVJQCKMPS-UHFFFAOYSA-N;132.17;0.29;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_SP2";;;;;;;0.54;;-1.09;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM428033;MM428033;C=CC1=CC(C(=C)C)=CC1;LWOGURPIEDYJDH-UHFFFAOYSA-N;132.21;3.01;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC3_SC4";;;;;;;3.9;;0.47;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM428034;MM428034;CC#CC=CC(CN)CN;OUMMJILQQGXHPY-UHFFFAOYSA-N;138.21;0.1;;;;;DOPC;MDCG;27;1;"MARTINI bead: C4_P2";;;;;;;1.09;;-3.05;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM428035;MM428035;C=Cn1cc(C#CC)cn1;YORXEADJDWYAGJ-UHFFFAOYSA-N;132.17;1.36;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP1_SNa";;;;;;;0.04;;-2.54;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM428036;MM428036;C=CCOCC1(C=O)CC1;NGAQDIQQQOKZJX-UHFFFAOYSA-N;140.18;1.17;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_SNa";;;;;;;0.87;;-2.22;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM428037;MM428037;C#CC(C=C)C1OC1C=C;LPAJLOLYFNCWEA-UHFFFAOYSA-N;134.18;1.38;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNa_C5";;;;;;;1.64;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM428038;MM428038;C=CC12CN(C)C(=N)C1N2;HAPXOALSJKTRCE-UHFFFAOYSA-N;137.19;-0.19;;;;;DOPC;MDCG;27;1;"MARTINI bead: SP2_SNd";;;;;;;-0.24;;-5.84;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM428039;MM428039;CC#CC=CC(CN)CF;MATFLRXAIUWGCV-UHFFFAOYSA-N;141.19;1.11;;;;;DOPC;MDCG;27;1;"MARTINI bead: C4_P1";;;;;;;1.37;;-2.62;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM428040;MM428040;C=C(C)C1=CCC(C=O)=C1;UEUYCWSNZOBKQZ-UHFFFAOYSA-N;134.18;2.02;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC3_SNa";;;;;;;2.57;;0.45;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM428041;MM428041;C=CCOCC1(C#N)CC1;CLDQOOMXLGOVPU-UHFFFAOYSA-N;137.18;1.49;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_SN0";;;;;;;1.17;;-1.18;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM428042;MM428042;C#CC(C=O)C1OC1C=C;CLAVIXMRBWWUPA-UHFFFAOYSA-N;136.15;0.39;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNa_Na";;;;;;;0.87;;-2.22;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM428043;MM428043;CC#Cc1cnn(C=N)c1;QIFXIWGEQWWTHV-UHFFFAOYSA-N;133.15;0.71;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP1_SP1";;;;;;;-0.79;;-3.13;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM428044;MM428044;CN1CC2(C#N)NC2C1=N;HWTZZAYLSHUSRU-UHFFFAOYSA-N;136.16;-0.86;;;;;DOPC;MDCG;27;1;"MARTINI bead: SP2_SNd";;;;;;;-0.24;;-5.36;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM428045;MM428045;CC#CC=CC(CO)CO;MQQSZRKGWQSNQZ-UHFFFAOYSA-N;140.18;0.17;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4_P3";;;;;;;0.23;;-1.03;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM428046;MM428046;C=C(C)C1=CCC(C#N)=C1;RPRNFWRDFYPWCB-UHFFFAOYSA-N;131.18;2.34;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC3_SN0";;;;;;;2.87;;0.37;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM428047;MM428047;C#CC(C=C)C1OC1C=O;WWOOYLVYTLXOLM-UHFFFAOYSA-N;136.15;0.39;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_SP2";;;;;;;0.54;;-1.09;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM428048;MM428048;O=CCOCC1(C=O)CC1;TZAUYXLEWFGCEQ-UHFFFAOYSA-N;142.15;0.18;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_SNa";;;;;;;0.04;;-2.54;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM428049;MM428049;CC#Cc1cnn(C=O)c1;IPFXTIWZBOQSKL-UHFFFAOYSA-N;134.14;0.29;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP1_SP1";;;;;;;-0.79;;-3.13;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM428050;MM428050;C=C1CC2(O)C(C)C2C1=C;ZNYPKAVKSUKXHZ-UHFFFAOYSA-N;136.19;1.5;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC4_SNda";;;;;;;2.2;;0.49;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM428051;MM428051;C=Cc1cc(C(=C)C)c[nH]1;OCWSQITYXPNLGC-UHFFFAOYSA-N;133.19;2.69;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC5_SNd";;;;;;;1.64;;0.02;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM428052;MM428052;CC#CC=CC(CF)CF;KTHRBBILMVMLMZ-UHFFFAOYSA-N;144.16;2.12;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4_C5";;;;;;;2.97;;0.45;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM428053;MM428053;N#CCOCC1(C=O)CC1;FCTORORIPGPSPV-UHFFFAOYSA-N;139.15;0.51;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNa_P1";;;;;;;0.04;;-2.54;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM428054;MM428054;C#CC(C=C)C1OC1C#N;STBJTDVRBFUHCN-UHFFFAOYSA-N;133.15;0.71;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_SP1";;;;;;;0.81;;-0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM428055;MM428055;C=Nn1cc(C#CC)cn1;CRIBZOAQONNHRW-UHFFFAOYSA-N;133.15;0.72;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP1_SP1";;;;;;;-0.79;;-3.13;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM428056;MM428056;CC(C)C(O)CC1CC1C;BCRZOOWOGLJKQK-UHFFFAOYSA-N;142.24;2.05;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda_SC5";;;;;;;1.64;;0.05;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM428057;MM428057;CC#CC=CC(CC)NC;FFHFMIATPNSYES-UHFFFAOYSA-N;137.23;1.56;;;;;DOPC;MDCG;27;1;"MARTINI bead: C5_C4";;;;;;;2.97;;0.22;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM428058;MM428058;C=C(C)c1c[nH]c(C#N)c1;BGHAINFQVZXSFK-UHFFFAOYSA-N;132.17;1.92;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC5_SNd";;;;;;;1.64;;0.02;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM428059;MM428059;C#CC(C=O)C1OC1C#N;DXINZHRKENYNOW-UHFFFAOYSA-N;135.12;-0.27;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_SP1";;;;;;;0.04;;-2.54;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM428060;MM428060;C=CC1(CONC=N)CC1;FRTGOQNLBIDWLC-UHFFFAOYSA-N;140.19;1.08;;;;;DOPC;MDCG;27;1;"MARTINI bead: SC4_P3";;;;;;;0.23;;-2.81;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM428061;MM428061;CC#CC=CC(CC)OC;CUPQQRCMRWWEMG-UHFFFAOYSA-N;138.21;1.99;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4_C4";;;;;;;3.53;;0.53;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM428062;MM428062;C=Cn1cnc(C#CC)c1;YJHKRVGTVDTWGD-UHFFFAOYSA-N;132.17;1.36;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNa_SP1";;;;;;;0.04;;-2.54;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM428063;MM428063;C=CC12CC(C)C(=C)C1O2;IJIBELPGPFVSQL-UHFFFAOYSA-N;136.19;1.91;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNa_SC3";;;;;;;2.57;;0.45;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM428064;MM428064;C=Cc1cc(C(=C)C)co1;KYHYNHLCPCXGPC-UHFFFAOYSA-N;134.18;2.96;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC4_SC5";;;;;;;2.97;;0.45;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM428065;MM428065;C=CC1(CONC=O)CC1;CKSIAVFOKIEYNT-UHFFFAOYSA-N;141.17;0.63;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC4_P2";;;;;;;1.09;;-0.37;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM428066;MM428066;C#CC(C=C)C1CN1C=N;SPUZPTBRYJUVHB-UHFFFAOYSA-N;134.18;0.71;;;;;DOPC;MDCG;27;1;"MARTINI bead: C5_SP2";;;;;;;0.54;;-3.92;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM428067;MM428067;CC#CC=CC(CN)OC;QMGAQRJDZNXXFM-UHFFFAOYSA-N;139.2;0.54;;;;;DOPC;MDCG;27;1;"MARTINI bead: P2_C4";;;;;;;1.09;;-2.36;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM428068;MM428068;CC#Cc1cn(C=O)cn1;CNOSEKRNGRSRSP-UHFFFAOYSA-N;134.14;0.29;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNa_SP2";;;;;;;-0.24;;-3.24;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM428069;MM428069;C=C(C)c1coc(C=O)c1;WYKYTYASYWIITL-UHFFFAOYSA-N;136.15;2.13;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC4_SNa";;;;;;;2.2;;0.34;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM428070;MM428070;C=C1C(C)CC2(C=O)OC12;TVGGXPZZCGFTLY-UHFFFAOYSA-N;138.17;0.92;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNa_SC3";;;;;;;2.57;;0.45;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM428071;MM428071;C=Cn1cc(C#CC)nn1;WBJAAADBSWTYLM-UHFFFAOYSA-N;133.15;0.75;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNa_SP1";;;;;;;0.04;;-2.54;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM428072;MM428072;C#CC(C#N)C1CN1C=N;WSPADTIWYCWJKR-UHFFFAOYSA-N;133.15;0.05;;;;;DOPC;MDCG;27;1;"MARTINI bead: SP2_N0";;;;;;;0.06;;-4.79;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM428073;MM428073;C#CC1=CC(C(=C)C)=CC1;PMTBVMBMLMCJTM-UHFFFAOYSA-N;130.19;2.45;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC3_SC5";;;;;;;3.34;;0.48;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM428074;MM428074;N=CNOCC1(C=O)CC1;DXFHTCZUIZPVHX-UHFFFAOYSA-N;142.16;0.09;;;;;DOPC;MDCG;27;1;"MARTINI bead: P3_SNa";;;;;;;-1.1;;-5.98;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM428075;MM428075;CC#CC=CC(CO)OC;XPRZDXDSIINCDH-UHFFFAOYSA-N;140.18;0.57;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_C4";;;;;;;1.09;;-0.38;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM428076;MM428076;C=C1C(C)CC2(C#N)OC12;TYLPQUWCNHYTGC-UHFFFAOYSA-N;135.17;1.24;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNa_SC3";;;;;;;2.57;;0.45;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM428077;MM428077;C#CC(C=C)C1CN1C=O;YBXNWPQJLJXRPF-UHFFFAOYSA-N;135.17;0.26;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_SP2";;;;;;;0.54;;-1.09;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM428078;MM428078;CC#Cc1cn(C=N)nn1;CXADROPAUSFHAH-UHFFFAOYSA-N;134.14;0.1;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNa_SP2";;;;;;;-0.24;;-3.24;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM428079;MM428079;C=CCCNC1(C#N)CC1;OFXRTIGOSVXYOA-UHFFFAOYSA-N;136.2;1.21;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nd_SN0";;;;;;;1.17;;-1.04;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM428080;MM428080;CC#CC=CC(OC)OC;MVCUMEVXSTZZFP-UHFFFAOYSA-N;140.18;1.18;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_C4";;;;;;;1.37;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM428081;MM428081;C#Cc1cc(C(=C)C)c[nH]1;NUTNVQXMKFDXHT-UHFFFAOYSA-N;131.18;2.03;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC5_SNd";;;;;;;1.64;;0.02;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM428082;MM428082;C=CC12CC(N)C(=C)C1O2;CPCVUEXSWNKNOA-UHFFFAOYSA-N;137.18;0.6;;;;;DOPC;MDCG;27;1;"MARTINI bead: SNa_SNd";;;;;;;0.87;;-4.22;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM428083;MM428083;CC#Cc1cn(C=O)nn1;BPENXIOSGFXNND-UHFFFAOYSA-N;135.13;-0.31;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNa_SP2";;;;;;;-0.24;;-3.24;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM428084;MM428084;CNN=CCC(C)C(C)=O;MSEVRDJCPXWVFF-UHFFFAOYSA-N;142.2;0.81;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nd_Na";;;;;;;0.87;;-1.88;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM428085;MM428085;N#CCCNC1(C=O)CC1;DISUOMYEOWEWJO-UHFFFAOYSA-N;138.17;0.22;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP2_P1";;;;;;;-1.06;;-3.82;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM428086;MM428086;CC#CC=NN(CC)CC;GQPYFMMVAMONCZ-UHFFFAOYSA-N;138.21;1.34;;;;;DOPC;MDCG;27;0;"MARTINI bead: N0_C4";;;;;;;2.5;;0.44;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM428087;MM428087;C#Cc1cc(C(=C)C)co1;HZDBAXKYPWFWIQ-UHFFFAOYSA-N;132.16;2.29;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC4_SN0";;;;;;;2.5;;0.44;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM428088;MM428088;C=C1C(O)CC2(C#N)OC12;GQHFTFOVWFOVKT-UHFFFAOYSA-N;137.14;-0.03;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNa_SNda";;;;;;;0.87;;-1.99;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM428089;MM428089;C=Nn1cc(C#CC)nn1;UOWSKORZJRCBQO-UHFFFAOYSA-N;134.14;0.11;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNa_SP1";;;;;;;0.04;;-2.54;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM428090;MM428090;C=CCCOC1(C=C)CC1;DTSFPPQFBQQRDO-UHFFFAOYSA-N;138.21;2.3;;;;;DOPC;MDCG;27;0;"MARTINI bead: C3_SNa";;;;;;;2.57;;0.45;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM428091;MM428091;CCC1C=C(C(C)C)CC1;WNOWMWWRSBOHJC-UHFFFAOYSA-N;138.25;3.39;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC2_SC1";;;;;;;4.87;;0.53;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM428092;MM428092;C=CC(C=CC#CC)CC;MTSUAIONVWTZIC-UHFFFAOYSA-N;134.22;2.78;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1_C4";;;;;;;4.24;;0.42;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM428093;MM428093;C#CC(C=C)C1CN1N=C;XKFWPWGLKGWJBE-UHFFFAOYSA-N;134.18;0.72;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_SP2";;;;;;;0.54;;-1.09;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM428094;MM428094;C=CC12CC(C)C(=O)C1O2;QMKDLTRSERCXCM-UHFFFAOYSA-N;138.17;0.92;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNa_SNa";;;;;;;0.87;;-2.22;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM428095;MM428095;C=Cn1ccc(C#CC)n1;CIXXSUHXBVGUQD-UHFFFAOYSA-N;132.17;1.36;;;;;DOPC;MDCG;27;0;"MARTINI bead: SN0_SNa";;;;;;;1.17;;-1.18;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM428096;MM428096;C=CC1(OCCC#N)CC1;WIFACTARLPNRHC-UHFFFAOYSA-N;137.18;1.64;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNa_P1";;;;;;;0.04;;-2.54;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM428097;MM428097;C#CC(C#N)C1CN1N=C;BAAJCDWCHWMPDM-UHFFFAOYSA-N;133.15;0.06;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP2_N0";;;;;;;0.06;;-2.21;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM428098;MM428098;CC(O)C1=CC(CN)CC1;BLAJWQNPORIHAT-UHFFFAOYSA-N;141.21;0.66;;;;;DOPC;MDCG;27;1;"MARTINI bead: SC5_SNd";;;;;;;1.64;;-2.67;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM428099;MM428099;CC#CC=CC(C=O)CC;HEFOFVFCFIGAAO-UHFFFAOYSA-N;136.19;1.79;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_C4";;;;;;;2.97;;0.45;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM428100;MM428100;CC1CC2(C=O)OC2C1=O;FWWSOXCFTJGTPQ-UHFFFAOYSA-N;140.14;-0.07;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNa_SNa";;;;;;;0.87;;-2.22;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM428101;MM428101;CC#Cc1ccn(C=N)n1;DEPJISGHCZFUON-UHFFFAOYSA-N;133.15;0.71;;;;;DOPC;MDCG;27;0;"MARTINI bead: SN0_SP1";;;;;;;0.34;;-1.53;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM428102;MM428102;C=CCCOC1(C=O)CC1;YDHPYWSWFUBXAS-UHFFFAOYSA-N;140.18;1.31;;;;;DOPC;MDCG;27;0;"MARTINI bead: C3_SP2";;;;;;;1.46;;-0.15;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM428103;MM428103;CC#CC=CC(C#N)CC;IWLFLDODNOZKKS-UHFFFAOYSA-N;133.19;2.12;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_C4";;;;;;;2.97;;0.45;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM428104;MM428104;C#CC(C=C)N1CC1C=C;ALKHDQRBFRCVRV-UHFFFAOYSA-N;133.19;1.04;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP1_P1";;;;;;;-0.79;;-3.13;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM428105;MM428105;COC1C=C(C(C)C)CC1;SNHUZRMTOREEET-UHFFFAOYSA-N;140.23;2.38;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNa_SC1";;;;;;;2.91;;0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM428106;MM428106;CC1CC2(C#N)OC2C1=O;KQLRCHJVVFMNIU-UHFFFAOYSA-N;137.14;0.26;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNa_SNa";;;;;;;0.87;;-2.22;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM428107;MM428107;CC#Cc1ccn(C=O)n1;DZPFZXCNTGQQKA-UHFFFAOYSA-N;134.14;0.29;;;;;DOPC;MDCG;27;0;"MARTINI bead: SN0_SP1";;;;;;;0.34;;-1.53;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM428108;MM428108;C=CCCOC1(C#N)CC1;HKPIARGWPYCZCY-UHFFFAOYSA-N;137.18;1.64;;;;;DOPC;MDCG;27;0;"MARTINI bead: C3_SP2";;;;;;;1.46;;-0.15;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM428109;MM428109;CCC1C=C(C(C)C)CN1;DKDMLSTXWGPYCB-UHFFFAOYSA-N;139.24;1.95;;;;;DOPC;MDCG;27;1;"MARTINI bead: SNd_SN0";;;;;;;1.17;;-4.57;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM428110;MM428110;C=CC(C=CC#CC)CN;OPGFQPRQIZQMJV-UHFFFAOYSA-N;135.21;1.33;;;;;DOPC;MDCG;27;1;"MARTINI bead: C4_Nd";;;;;;;2.2;;-2.15;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM428111;MM428111;C=NNC(C)=NN1CC1C;AADYCLPMWZAEBD-UHFFFAOYSA-N;140.19;0.23;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP1_P1";;;;;;;-0.79;;-3.13;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM428112;MM428112;N#CC12CC(O)C(=O)C1O2;RYVWMBZFLICGNI-UHFFFAOYSA-N;139.11;-1.02;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNa_SP1";;;;;;;0.04;;-2.54;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM428113;MM428113;C=Nn1ccc(C#CC)n1;WMRTUDTWXMVZKU-UHFFFAOYSA-N;133.15;0.72;;;;;DOPC;MDCG;27;0;"MARTINI bead: SN0_SP1";;;;;;;0.34;;-1.53;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM428114;MM428114;N#CCCOC1(C=O)CC1;NFPSPHAINGPUAT-UHFFFAOYSA-N;139.15;0.65;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP2_P1";;;;;;;-1.06;;-3.82;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM428115;MM428115;CC(C)C1=CC(CF)NC1;HAKKKGOTKSKSHZ-UHFFFAOYSA-N;143.21;1.51;;;;;DOPC;MDCG;27;1;"MARTINI bead: SN0_SNda";;;;;;;1.17;;-3.01;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM428116;MM428116;CC#CC(=O)OC=NNC;RBARDTZIMAIVLD-UHFFFAOYSA-N;140.14;-0.28;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_N0";;;;;;;0.34;;-1.53;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM428117;MM428117;C=NN(C=O)CCC(C)=O;YGMNZFMYWAWOQD-UHFFFAOYSA-N;142.16;0.04;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_P2";;;;;;;-1.06;;-3.82;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM428118;MM428118;C=CC12CN(C)C(=N)C1O2;OIDHEFJYBWUERA-UHFFFAOYSA-N;138.17;0.23;;;;;DOPC;MDCG;27;1;"MARTINI bead: SP1_SNd";;;;;;;0.04;;-4.78;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM428119;MM428119;C=Cn1ncc(C#CC)n1;KSQLMTYEVUGJPZ-UHFFFAOYSA-N;133.15;0.75;;;;;DOPC;MDCG;27;0;"MARTINI bead: SN0_SNa";;;;;;;1.17;;-1.18;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM428120;MM428120;N#CC1(OCCC=O)CC1;YTBOXOCWAUNZQD-UHFFFAOYSA-N;139.15;0.65;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_SP2";;;;;;;-0.24;;-3.24;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM428121;MM428121;CCC1C=C(C(C)N)CN1;QJZVPQNVUDOLJG-UHFFFAOYSA-N;140.23;0.64;;;;;DOPC;MDCG;27;1;"MARTINI bead: SNd_SP2";;;;;;;-0.24;;-6.34;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM428122;MM428122;CC#CC=CC(C=O)CO;QXWFIUDMSDNNGE-UHFFFAOYSA-N;138.17;0.37;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4_P2";;;;;;;1.09;;-0.38;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM428123;MM428123;C#CC(C=C)N1CC1C#N;DOHCMQCJXMKWRI-UHFFFAOYSA-N;132.17;0.38;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_SP2";;;;;;;-1.06;;-3.82;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM428124;MM428124;CN1CC2(C#N)OC2C1=N;LGUZNAGGSXXMKG-UHFFFAOYSA-N;137.14;-0.43;;;;;DOPC;MDCG;27;1;"MARTINI bead: SP2_SNd";;;;;;;-0.24;;-4.81;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM428125;MM428125;CC#Cc1cnn(C=N)n1;HOPWSNCSVNAICE-UHFFFAOYSA-N;134.14;0.1;;;;;DOPC;MDCG;27;0;"MARTINI bead: SN0_SP2";;;;;;;0.06;;-2.21;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM428126;MM428126;N#CCCOC1(C#N)CC1;QINGLOAGHNWQMO-UHFFFAOYSA-N;136.15;0.97;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_SP2";;;;;;;-1.06;;-3.82;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM428127;MM428127;CC(N)C1=CC(CF)NC1;SQAVIOYITZKZHY-UHFFFAOYSA-N;144.19;0.2;;;;;DOPC;MDCG;27;1;"MARTINI bead: SP2_SNda";;;;;;;-0.24;;-5.53;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM428128;MM428128;CCC(CC=C(F)F)=NN;HQURATPGSKLDEO-UHFFFAOYSA-N;148.16;1.88;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nd_C4";;;;;;;2.2;;0.32;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM428129;MM428129;CC#CC=CC(C#N)CO;SFWWLKPYYYOJAC-UHFFFAOYSA-N;135.17;0.7;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4_P2";;;;;;;1.09;;-0.38;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM428130;MM428130;C=CC12CN(C)C(=O)C1O2;YCKXXAKIJZNCDH-UHFFFAOYSA-N;139.15;-0.22;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP1_SP1";;;;;;;-0.79;;-3.13;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM428131;MM428131;CC#Cc1cnn(C=O)n1;CDVMWFPIGFORSX-UHFFFAOYSA-N;135.13;-0.31;;;;;DOPC;MDCG;27;0;"MARTINI bead: SN0_SP2";;;;;;;0.06;;-2.21;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM428132;MM428132;C=CC1(OCOC=O)CC1;VDGSFBONMWATMU-UHFFFAOYSA-N;142.15;0.85;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC4_P2";;;;;;;1.09;;-0.38;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM428133;MM428133;CC(O)C1=CC(CF)NC1;USLJSJUCCLYOFH-UHFFFAOYSA-N;145.18;0.23;;;;;DOPC;MDCG;27;1;"MARTINI bead: SP1_SNda";;;;;;;0.04;;-4.08;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM428134;MM428134;C#CC(C#N)N1CC1C#N;XJUGOKBKIITFJS-UHFFFAOYSA-N;131.14;-0.28;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_SP2";;;;;;;-1.06;;-3.82;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM428135;MM428135;C=CC(C=CC#CC)CF;PZDWWEPIYBQUJW-UHFFFAOYSA-N;138.19;2.34;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4_C4";;;;;;;3.53;;0.53;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM428136;MM428136;C=Cn1cnc(C#CC)n1;GFPRXPQYHPFDMX-UHFFFAOYSA-N;133.15;0.75;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNa_SNa";;;;;;;0.87;;-2.22;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM428137;MM428137;CN1CC2(C#N)OC2C1=O;QHSSURPCYWRQHC-UHFFFAOYSA-N;138.13;-0.88;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP2_SP1";;;;;;;-1.06;;-3.82;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM428138;MM428138;C=COCOC1(C#N)CC1;CSSIMVXBRPWKJP-UHFFFAOYSA-N;139.15;1.18;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_SP2";;;;;;;-0.24;;-3.24;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM428139;MM428139;C#CC(C#C)C1CC1C=C;IZSLLEGGQMICFT-UHFFFAOYSA-N;130.19;1.69;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC4_N0";;;;;;;2.5;;0.44;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM428140;MM428140;COC1C=C(C(C)C)CO1;IVZACNCEBJGKHU-UHFFFAOYSA-N;142.2;1.57;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNa_SC5";;;;;;;1.64;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM428141;MM428141;C=CC(C=CC#CC)NC;JTKGUASVPGVGKI-UHFFFAOYSA-N;135.21;1.34;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_C4";;;;;;;2.2;;-1.07;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM428142;MM428142;CC#Cc1ncn(C=N)n1;ZMMZYVQKDSGQFW-UHFFFAOYSA-N;134.14;0.1;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNa_SP2";;;;;;;-0.24;;-3.24;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM428143;MM428143;C#CC12CC(C)C(=C)C1C2;HOEWXQFSTXHMGX-UHFFFAOYSA-N;132.21;2.22;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC4_SC3";;;;;;;3.9;;0.47;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM428144;MM428144;N#CC1(OCOC=O)CC1;FRWDHWUQWVWETL-UHFFFAOYSA-N;141.13;0.19;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_SP2";;;;;;;-1.06;;-3.82;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM428145;MM428145;CCN1CCC(C(C)C)=N1;UAPZZGVYSKFOHL-UHFFFAOYSA-N;140.23;1.72;;;;;DOPC;MDCG;27;0;"MARTINI bead: SN0_SN0";;;;;;;1.47;;-0.05;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM428146;MM428146;C#CC(C#C)C1CC1C=O;WJNQPTLBBKKQCC-UHFFFAOYSA-N;132.16;0.7;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNa_N0";;;;;;;1.17;;-1.18;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM428147;MM428147;CC#CC=CC(C#N)NC;JAARWOFYLZZEQK-UHFFFAOYSA-N;134.18;0.68;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_C4";;;;;;;1.09;;-0.37;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM428148;MM428148;CC#Cc1ncn(C=O)n1;XFIZACJVBPBCQU-UHFFFAOYSA-N;135.13;-0.31;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNa_SP2";;;;;;;-0.24;;-3.24;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM428149;MM428149;C#CC12CC(N)C(=C)C1C2;NFXDFZNUOVAKPR-UHFFFAOYSA-N;133.19;0.91;;;;;DOPC;MDCG;27;1;"MARTINI bead: SC4_SNd";;;;;;;2.2;;-1.89;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM428150;MM428150;C=CC1C=C(C(C)C)CC1;UEUYQIHBSYDANP-UHFFFAOYSA-N;136.24;3.16;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC1_SC4";;;;;;;4.24;;0.42;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM428151;MM428151;C=NOCOC1(C#N)CC1;IVAAXMJUNJDASZ-UHFFFAOYSA-N;140.14;0.65;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_SP2";;;;;;;-1.06;;-3.82;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM428152;MM428152;C#CC(C#C)C1CC1C#N;MKJCKJXCBCAMKF-UHFFFAOYSA-N;129.16;1.03;;;;;DOPC;MDCG;27;0;"MARTINI bead: N0_SN0";;;;;;;1.47;;-0.05;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM428153;MM428153;C=CC(C=CC#CC)OC;KOQZPWVPVPXVOS-UHFFFAOYSA-N;136.19;1.77;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_C4";;;;;;;2.97;;0.45;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM428154;MM428154;CN=C(C)N=C(NC)OC;ARDHILAKLZRKKZ-UHFFFAOYSA-N;143.19;0.26;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_C5";;;;;;;0.54;;-1.09;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM428155;MM428155;C=Nn1cnc(C#CC)n1;PFGHLJVPPPCHSH-UHFFFAOYSA-N;134.14;0.11;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNa_SP2";;;;;;;-0.24;;-3.24;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM428156;MM428156;C#CC(C#C)C1NC1C=C;FZIWEQWCBOMXCR-UHFFFAOYSA-N;131.18;0.4;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP1_N0";;;;;;;0.34;;-1.53;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM428157;MM428157;C=CCCCC1(C=O)CN1;RCGPZTVIZZYASJ-UHFFFAOYSA-N;139.2;0.88;;;;;DOPC;MDCG;27;0;"MARTINI bead: C3_SP2";;;;;;;1.46;;-0.15;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM428158;MM428158;CC(C)C1=CC(C=O)CC1;PYEKWPISIZMQFN-UHFFFAOYSA-N;138.21;2.18;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC1_SNa";;;;;;;2.91;;0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM428159;MM428159;CC#CC=CC(C=O)OC;DZMMQTSTBOTXKU-UHFFFAOYSA-N;138.17;0.78;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_C4";;;;;;;2.2;;0.34;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM428160;MM428160;C=Cn1nnc(C#CC)n1;LBXRIHAWVSXZOC-UHFFFAOYSA-N;134.14;0.15;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNa_SP1";;;;;;;0.04;;-2.54;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM428161;MM428161;C#CC12CC(C)C(=O)C1C2;PANZYHQHRHNCPU-UHFFFAOYSA-N;134.18;1.23;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC4_SNa";;;;;;;2.2;;0.34;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM428162;MM428162;C#CC(C#C)C1NC1C#N;IGROGZIFIHRPDE-UHFFFAOYSA-N;130.15;-0.27;;;;;DOPC;MDCG;27;0;"MARTINI bead: N0_SP2";;;;;;;0.06;;-2.21;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM428163;MM428163;CC(C)C1=CC(C#N)CC1;ITLMDGKOMWUVFF-UHFFFAOYSA-N;135.21;2.5;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC1_SN0";;;;;;;3.21;;0.46;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM428164;MM428164;CC#CC=CC(C#N)OC;NIKSUZFDZLQDFB-UHFFFAOYSA-N;135.17;1.1;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_C4";;;;;;;1.37;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM428165;MM428165;C=CCCCC1(C#N)CN1;TWQQQVHAVWUPIQ-UHFFFAOYSA-N;136.2;1.21;;;;;DOPC;MDCG;27;0;"MARTINI bead: C3_SP1";;;;;;;1.74;;0.29;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM428166;MM428166;CC#Cc1nnn(C=N)n1;MQPDNKUIEBXLRI-UHFFFAOYSA-N;135.13;-0.5;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNa_SP2";;;;;;;-0.24;;-3.24;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM428167;MM428167;C#CC12CC(O)C(=O)C1C2;UXLNOGAEHMTQOV-UHFFFAOYSA-N;136.15;-0.04;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC4_SP1";;;;;;;1.37;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM428168;MM428168;CC#CC=CN(C=N)CC;ZTQNQUAZWZUJNK-UHFFFAOYSA-N;136.2;1.45;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_C4";;;;;;;2.2;;-2.6;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM428169;MM428169;C#CC(C#C)C1CN1C=N;IAEPQZOJHHVNJM-UHFFFAOYSA-N;132.17;0.16;;;;;DOPC;MDCG;27;1;"MARTINI bead: SP2_N0";;;;;;;0.06;;-4.84;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM428170;MM428170;C=CC1C=C(C(C)N)CC1;KTMOLJYJOIFKQP-UHFFFAOYSA-N;137.23;1.86;;;;;DOPC;MDCG;27;1;"MARTINI bead: SC5_SC4";;;;;;;2.97;;0.2;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM428171;MM428171;N#CCCCC1(C=O)CN1;QSEHFRJZNJEAAX-UHFFFAOYSA-N;138.17;0.22;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP2_P1";;;;;;;-1.06;;-3.82;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM428172;MM428172;CC#Cc1nnn(C=O)n1;YDYSUIWTHZXREJ-UHFFFAOYSA-N;136.11;-0.92;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNa_SP2";;;;;;;-0.24;;-3.24;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM428173;MM428173;C#CC12CC1C(=C)C(C)N2;CVVROTRHDSBCCF-UHFFFAOYSA-N;133.19;0.93;;;;;DOPC;MDCG;27;1;"MARTINI bead: SNd_SN0";;;;;;;1.17;;-2.71;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM428174;MM428174;CC#CC=CN(C=O)CC;KCVVHTXKAAZRLE-UHFFFAOYSA-N;137.18;1;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_C4";;;;;;;1.37;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM428175;MM428175;CC(C)C1=CC(C=O)NC1;UGSHPTNKXKRBNE-UHFFFAOYSA-N;139.2;0.74;;;;;DOPC;MDCG;27;1;"MARTINI bead: SN0_SP2";;;;;;;0.06;;-3.68;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM428176;MM428176;C#CC(C#C)C1CN1C=O;JGDLUQJZWSQNBU-UHFFFAOYSA-N;133.15;-0.29;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP2_N0";;;;;;;0.06;;-2.21;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM428177;MM428177;C=CC1(CCNC=N)CN1;NQWVYXLKRGDAJL-UHFFFAOYSA-N;139.2;0.1;;;;;DOPC;MDCG;27;1;"MARTINI bead: SP1_P3";;;;;;;-1.93;;-8.67;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM428178;MM428178;C#CC1C=CC(C#CC)=C1;VJAZIVBZIGAMLH-UHFFFAOYSA-N;128.17;1.76;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC4_SN0";;;;;;;2.5;;0.44;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM428179;MM428179;C#CC12CC1C(=C)C(C)O2;CWEZOZFDSQZHHT-UHFFFAOYSA-N;134.18;1.35;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNa_SN0";;;;;;;1.17;;-1.18;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM428180;MM428180;CC#CC=CN(C=O)NC;KOAQPLPSYFJMLX-UHFFFAOYSA-N;138.17;0.12;;;;;DOPC;MDCG;27;0;"MARTINI bead: P3_C4";;;;;;;0.23;;-1.03;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM428181;MM428181;CC(C)C1=CC(C#N)NC1;XIIOEBVVNHLPNX-UHFFFAOYSA-N;136.2;1.06;;;;;DOPC;MDCG;27;0;"MARTINI bead: SN0_SP1";;;;;;;0.34;;-1.53;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM428182;MM428182;C#CC(C#C)C1CN1N=C;IRMJNAXFINOFNB-UHFFFAOYSA-N;132.17;0.17;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP2_N0";;;;;;;0.06;;-2.21;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM428183;MM428183;N=CNCCC1(C=O)CN1;SWUSTTAETBLTDR-UHFFFAOYSA-N;141.17;-0.89;;;;;DOPC;MDCG;27;1;"MARTINI bead: P3_SP2";;;;;;;-2.2;;-9.12;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM428184;MM428184;CC=C1C=CC(CCC)=C1;RKRHXGHXANPIRG-UHFFFAOYSA-N;134.22;3.23;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC2_SC4";;;;;;;4.16;;0.44;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM428185;MM428185;C#CC12CC1C(=O)C(C)O2;AIMZGMXBAYAAAU-UHFFFAOYSA-N;136.15;0.37;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNa_SP1";;;;;;;0.04;;-2.54;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM428186;MM428186;CC#CC=CN(C=O)OC;FECLFQNPMVNHJD-UHFFFAOYSA-N;139.15;0.54;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_C4";;;;;;;1.09;;-0.38;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM428187;MM428187;C#CC(C#C)N1CC1C=C;KDTLPYRRFAWNAR-UHFFFAOYSA-N;131.18;0.49;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP1_Nd";;;;;;;0.04;;-2.63;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM428188;MM428188;O=CC1NC1C=CF;AJSCYVRGWQECET-UHFFFAOYSA-N;115.11;0.01;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_SP2";;;;;;;0.54;;-1.09;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM428189;MM428189;C=CC1C=C(C(C)N)CN1;TYWIRRNDZRZHOF-UHFFFAOYSA-N;138.21;0.42;;;;;DOPC;MDCG;27;1;"MARTINI bead: SP2_SNd";;;;;;;-0.24;;-5.71;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM428190;MM428190;CC=C1C=CC(CCN)=C1;BNBDILLEHVSRFD-UHFFFAOYSA-N;135.21;1.78;;;;;DOPC;MDCG;27;1;"MARTINI bead: SC4_SNd";;;;;;;2.2;;-2.17;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM428191;MM428191;C#CC12CC1C(=N)N(C)C2;UIRKSCNIMAQYNC-UHFFFAOYSA-N;134.18;0.55;;;;;DOPC;MDCG;27;1;"MARTINI bead: SP1_SNd";;;;;;;0.04;;-6.93;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM428192;MM428192;CC#CC=NN(C=N)CC;KLVFLWIZWBXGPJ-UHFFFAOYSA-N;137.19;0.92;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_C4";;;;;;;1.09;;-0.37;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM428193;MM428193;NN=C1OC2CC2O1;TUGSMYWAWUKXKA-UHFFFAOYSA-N;114.1;-0.6;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP2_SP1";;;;;;;-1.06;;-3.82;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM428194;MM428194;C=CC1C=C(C(C)C)CO1;ZDQMLCAPAQJRQF-UHFFFAOYSA-N;138.21;2.15;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC5_SNa";;;;;;;1.64;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM428195;MM428195;C#CC(C#C)N1CC1C#N;IPLYBQQNAQGQTJ-UHFFFAOYSA-N;130.15;-0.17;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nd_SP2";;;;;;;-0.24;;-3.16;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM428196;MM428196;CCCC1=CC(=CF)C=C1;GYXKHRRLQZPXGY-UHFFFAOYSA-N;138.19;3.14;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC2_SC5";;;;;;;3.6;;0.34;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM428197;MM428197;C#CC(C=CC#CC)CC;JNAOFXZEBDTLDK-UHFFFAOYSA-N;132.21;2.23;;;;;DOPC;MDCG;27;0;"MARTINI bead: C2_C4";;;;;;;4.16;;0.44;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM428198;MM428198;C#CC12CC1C(=N)N(N)C2;GJQSOSHKUKAPJY-UHFFFAOYSA-N;135.17;-0.21;;;;;DOPC;MDCG;27;1;"MARTINI bead: SP1_SP2";;;;;;;-1.06;;-6.25;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM428199;MM428199;C=NNCCC1(C=O)CN1;IRPCCFHWWZJMFG-UHFFFAOYSA-N;141.17;-0.88;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_SP2";;;;;;;-1.34;;-4.31;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM428200;MM428200;CC(C)C1=CN(C=N)CC1;UNAYGYXZQSIAQM-UHFFFAOYSA-N;138.21;1.84;;;;;DOPC;MDCG;27;1;"MARTINI bead: SN0_SP1";;;;;;;0.34;;-5.02;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM428201;MM428201;C#CC1CC1C(CC)CC;GYEIUDRMPOLENT-UHFFFAOYSA-N;136.24;2.69;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1_SC5";;;;;;;3.68;;0.46;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM428202;MM428202;NCCC1=CC(=CF)C=C1;NPQWNWRHUNYYGJ-UHFFFAOYSA-N;139.17;1.68;;;;;DOPC;MDCG;27;1;"MARTINI bead: SNd_SC5";;;;;;;1.64;;-2.65;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM428203;MM428203;C#CC(C=CC#CC)CN;CQFFTLQHOMVUQA-UHFFFAOYSA-N;133.19;0.77;;;;;DOPC;MDCG;27;1;"MARTINI bead: C4_Nd";;;;;;;2.2;;-1.85;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM428204;MM428204;C#CC12CC1C(=O)N(C)C2;JDGCVUJOFRTRGU-UHFFFAOYSA-N;135.17;0.1;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP1_SP1";;;;;;;-0.79;;-3.13;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM428205;MM428205;CC(C)C1=CN(C=O)CC1;KKEWHNVCSUXWCS-UHFFFAOYSA-N;139.2;1.39;;;;;DOPC;MDCG;27;0;"MARTINI bead: SN0_SP1";;;;;;;0.34;;-1.53;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM428206;MM428206;CC1(C)COC(=NN)O1;KEQFDRLGLXOFFS-UHFFFAOYSA-N;130.15;0.04;;;;;DOPC;MDCG;27;0;"MARTINI bead: SN0_SP2";;;;;;;0.06;;-2.21;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM428207;MM428207;C#CC1CC1C(CO)NC;FEZZOWBFGQEOIT-UHFFFAOYSA-N;139.2;-0.16;;;;;DOPC;MDCG;27;1;"MARTINI bead: P2_SC5";;;;;;;0.54;;-3.68;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM428208;MM428208;CC=C1C=CC(CNC)=C1;DDIQTBWWJUBAMO-UHFFFAOYSA-N;135.21;1.65;;;;;DOPC;MDCG;27;1;"MARTINI bead: SNd_SC4";;;;;;;2.2;;-1.8;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM428209;MM428209;CCN(C=N)C(=O)C(C)=O;KIRNBYVHEYNEIK-UHFFFAOYSA-N;142.16;0.03;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_Na";;;;;;;-0.24;;-3.24;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM428210;MM428210;CC(N)C1=CN(C=N)CC1;HVXYFJUAMLRASF-UHFFFAOYSA-N;139.2;0.53;;;;;DOPC;MDCG;27;1;"MARTINI bead: SP1_SP1";;;;;;;-0.79;;-6.5;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM428211;MM428211;C#CC12CC1C(=O)N(N)C2;CDGJUKQODOAXQH-UHFFFAOYSA-N;136.15;-0.66;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP1_SP2";;;;;;;-1.06;;-3.82;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM428212;MM428212;C#CC1CC1C(CN)OC;NBIYMZLHEPDVKE-UHFFFAOYSA-N;139.2;0.23;;;;;DOPC;MDCG;27;1;"MARTINI bead: P2_SC5";;;;;;;0.54;;-3.14;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM428213;MM428213;C=COCCC1(C=O)CN1;FWNZXRVPGRRSLR-UHFFFAOYSA-N;141.17;0.08;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_SP2";;;;;;;-0.24;;-3.24;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM428214;MM428214;CNCC1=CC(=CF)C=C1;BRFDPWDTCHBNSH-UHFFFAOYSA-N;139.17;1.56;;;;;DOPC;MDCG;27;1;"MARTINI bead: SNd_SC5";;;;;;;1.64;;-2.27;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM428215;MM428215;C#CC(C=CC#CC)CF;VBTVIMWSOYMAQI-UHFFFAOYSA-N;136.17;1.78;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4_C5";;;;;;;2.97;;0.45;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM428216;MM428216;CC(N)C1=CN(C=O)CC1;PRJGNFHZTDHIBC-UHFFFAOYSA-N;140.19;0.08;;;;;DOPC;MDCG;27;1;"MARTINI bead: SP1_SP1";;;;;;;-0.79;;-5.17;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM428217;MM428217;C#CC12CC1C(=N)N(C)N2;OPVCTILZYLGOHN-UHFFFAOYSA-N;135.17;-0.19;;;;;DOPC;MDCG;27;1;"MARTINI bead: SP2_SP3";;;;;;;-2.2;;-7.68;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM428218;MM428218;C=COCCC1(C#N)CN1;NIZZFIFKGQOLJO-UHFFFAOYSA-N;138.17;0.4;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_SP1";;;;;;;0.04;;-2.54;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM428219;MM428219;C#CC1CC1C(OC)OC;UCJGUEIJINFTGA-UHFFFAOYSA-N;140.18;0.87;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_SC5";;;;;;;0.81;;-0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM428220;MM428220;CCCC1=CC(=NN)C=C1;XPMJFGSYQOJWBS-UHFFFAOYSA-N;136.2;1.6;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC2_SNd";;;;;;;2.83;;0.62;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM428221;MM428221;C#CC(C=CC#CC)OC;KMMLWXPNMIGJMC-UHFFFAOYSA-N;134.18;1.21;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_C4";;;;;;;2.2;;0.34;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM428222;MM428222;CC(O)C1=CN(C=N)CC1;VHONUGJBKFACEV-UHFFFAOYSA-N;140.19;0.56;;;;;DOPC;MDCG;27;1;"MARTINI bead: SP1_SP1";;;;;;;-0.79;;-6.39;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM428223;MM428223;CN(C)N=CC(CF)=NN;HROVEIWVXAXEHT-UHFFFAOYSA-N;146.17;-0.18;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_Nda";;;;;;;-0.24;;-3.31;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM428224;MM428224;O=COCCC1(C=O)CN1;CBQLOYGIVRALIR-UHFFFAOYSA-N;143.14;-0.91;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_SP2";;;;;;;-1.06;;-3.82;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM428225;MM428225;C#CC1NC1C(CC)CC;HJUWPNVKOFFEIF-UHFFFAOYSA-N;137.23;1.4;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1_SP3";;;;;;;0.94;;0.05;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM428226;MM428226;C=CC(C=C)C=CC#CC;LXMOTCRDQXPZCW-UHFFFAOYSA-N;132.21;2.55;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4_C1";;;;;;;4.24;;0.42;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM428227;MM428227;CCCC1=CC(=NO)C=C1;KXFOJUGXSUGFCX-UHFFFAOYSA-N;137.18;2.11;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC2_SNda";;;;;;;2.83;;0.57;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM428228;MM428228;CC(O)C1=CN(C=O)CC1;ARUQJILRIXKQJS-UHFFFAOYSA-N;141.17;0.11;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP1_SP1";;;;;;;-0.79;;-3.13;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM428229;MM428229;C#CC12CC1C(=O)N(C)O2;YGXIPNNHLQGTCR-UHFFFAOYSA-N;137.14;-0.22;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP1_SP2";;;;;;;-1.06;;-3.82;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM428230;MM428230;C#CC1NC1C(CC)CN;ZGARONHYRQJWRK-UHFFFAOYSA-N;138.21;-0.06;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_SP3";;;;;;;-1.1;;-6.37;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM428231;MM428231;N#CC1(CCOC=O)CN1;UCPYRUNAFAIAGA-UHFFFAOYSA-N;140.14;-0.58;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_SP1";;;;;;;-0.79;;-3.13;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM428232;MM428232;C=CC(C=O)C=CC#CC;KGQUEAOBPNZXFB-UHFFFAOYSA-N;134.18;1.57;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4_Na";;;;;;;2.2;;0.34;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM428233;MM428233;NCCC1=CC(=NO)C=C1;MZYQSHKCBBGGGW-UHFFFAOYSA-N;138.17;0.66;;;;;DOPC;MDCG;27;1;"MARTINI bead: SNd_SNda";;;;;;;0.87;;-4.81;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM428234;MM428234;CC(F)C1=CN(C=N)CC1;GNZHEXMLLDXRQN-UHFFFAOYSA-N;142.18;1.54;;;;;DOPC;MDCG;27;1;"MARTINI bead: SNa_SP1";;;;;;;0.04;;-5.73;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM428235;MM428235;C#CC12CC(C)C(=C)C1N2;KHAGPFHLOGLFBX-UHFFFAOYSA-N;133.19;0.93;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNd_SC3";;;;;;;2.57;;0.53;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM428237;MM428237;CC(=O)CCC1(C=O)CN1;RUPQMKKZCLQHFV-UHFFFAOYSA-N;141.17;-0.1;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_SP2";;;;;;;-1.06;;-3.82;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM428236;MM428236;C=NOCCC1(C=O)CN1;OCIHKJLVSUJGGN-UHFFFAOYSA-N;142.16;-0.45;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_SP2";;;;;;;-1.06;;-3.82;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM428238;MM428238;CNCC1=CC(=NN)C=C1;LRBKBXHTCNZCBT-UHFFFAOYSA-N;137.19;0.02;;;;;DOPC;MDCG;27;1;"MARTINI bead: SNd_SNd";;;;;;;0.87;;-4.48;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM428239;MM428239;C=CC(C#N)C=CC#CC;MVQFFBAXWQILHJ-UHFFFAOYSA-N;131.18;1.89;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4_C5";;;;;;;2.97;;0.45;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM428240;MM428240;CC(C)C1=CN(C=N)NC1;FUQPOLWXKAZAEC-UHFFFAOYSA-N;139.2;0.95;;;;;DOPC;MDCG;27;1;"MARTINI bead: SP1_SP3";;;;;;;-1.93;;-6.97;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM428241;MM428241;C#CC12CC(N)C(=C)C1N2;YVSNOZUBSFNERH-UHFFFAOYSA-N;134.18;-0.38;;;;;DOPC;MDCG;27;1;"MARTINI bead: SNd_SNd";;;;;;;0.87;;-4.2;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM428242;MM428242;C#CC1NC1C(CO)NC;APPSNAUOVVOTIW-UHFFFAOYSA-N;140.19;-1.46;;;;;DOPC;MDCG;27;1;"MARTINI bead: P2_SP3";;;;;;;-2.2;;-6.74;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM428243;MM428243;CCN=C1C=CC(NN)=C1;WXOUYDCVNNHFJF-UHFFFAOYSA-N;137.19;0.36;;;;;DOPC;MDCG;27;1;"MARTINI bead: SC4_SNd";;;;;;;2.2;;-2.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM428244;MM428244;C=NOCCC1(C#N)CN1;ZNUBYUHZDZZYLR-UHFFFAOYSA-N;139.16;-0.13;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_SP1";;;;;;;-0.79;;-3.13;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM428245;MM428245;CC(C)C1=CN(C=O)NC1;QAJSGKWIILRNBS-UHFFFAOYSA-N;140.19;0.5;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP1_SP2";;;;;;;-1.06;;-3.82;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM428246;MM428246;C=CN(C=N)C=CC#CC;GCNYHKDKEDWMAO-UHFFFAOYSA-N;134.18;1.58;;;;;DOPC;MDCG;27;1;"MARTINI bead: C4_P1";;;;;;;1.37;;-2.83;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM428247;MM428247;C#CCCC1(O)C(C)C1C;AKUFGFNDQVROLE-UHFFFAOYSA-N;138.21;1.42;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNda_C5";;;;;;;1.64;;0.05;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM428248;MM428248;C=CC(=O)CCON=CC;DGWBNLXVIYBUOE-UHFFFAOYSA-N;141.17;1.15;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_Na";;;;;;;0.87;;-2.22;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM428249;MM428249;CCN=C1C=CC(NO)=C1;WANLOSQHKYHLKC-UHFFFAOYSA-N;138.17;0.88;;;;;DOPC;MDCG;27;1;"MARTINI bead: SC4_SNda";;;;;;;2.2;;-2.03;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM428250;MM428250;C=CCNCC1(C=C)CN1;GBMDUBYTOHQNKG-UHFFFAOYSA-N;138.21;0.29;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_SP1";;;;;;;0.04;;-4.19;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM428251;MM428251;C=CN(C=O)C=CC#CC;NOGHUBCEKQDXBR-UHFFFAOYSA-N;135.17;1.13;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4_P2";;;;;;;1.09;;-0.38;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM428252;MM428252;CC(O)C1=CN(C=N)NC1;LVXJVLXIJFXXGZ-UHFFFAOYSA-N;141.17;-0.32;;;;;DOPC;MDCG;27;1;"MARTINI bead: SP3_SP3";;;;;;;-3.07;;-8.17;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM428253;MM428253;CC#CC=NNC(=N)CF;KXRNSIURCBIBGQ-UHFFFAOYSA-N;141.15;0.53;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nd_Na";;;;;;;0.87;;-1.88;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM428254;MM428254;CC=C1C=CC(OCC)=C1;GROMRHYTNHMSAG-UHFFFAOYSA-N;136.19;2.42;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC5_SC4";;;;;;;2.97;;0.45;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM428255;MM428255;C#CC1OC1C(CC)CC;JDYNLYVYSMGWER-UHFFFAOYSA-N;138.21;1.82;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1_SNa";;;;;;;2.91;;0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM428256;MM428256;C=CC1(CNCC#N)CN1;CIIUMTNPDBTALG-UHFFFAOYSA-N;137.19;-0.37;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP1_P2";;;;;;;-1.06;;-3.82;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM428257;MM428257;COc1nc(=NN)n(C)o1;HLHJSWCVZFLXGD-UHFFFAOYSA-N;144.13;-1.2;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNa_SP2";;;;;;;-0.24;;-3.24;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM428258;MM428258;CC#CC=CN(C=O)C=O;ODYHSUCFGGKFQI-UHFFFAOYSA-N;137.14;0.14;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4_P2";;;;;;;1.09;;-0.38;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM428259;MM428259;C=NN=CC(COC)=NN;YOXDYRCZWGPTNW-UHFFFAOYSA-N;142.16;-0.37;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_N0";;;;;;;0.34;;-1.53;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM428260;MM428260;CCOC1=CC(=CF)C=C1;POYPFYCROVQTCE-UHFFFAOYSA-N;140.16;2.33;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC5_SC5";;;;;;;2.41;;0.64;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM428261;MM428261;C=NOCOC(C)C=O;CVIRRNRULKSUSK-UHFFFAOYSA-N;131.13;0.18;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_P1";;;;;;;0.04;;-2.54;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM428262;MM428262;C#CC1OC1C(CC)CN;GRMRZUGQSUXNIT-UHFFFAOYSA-N;139.2;0.37;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_SNa";;;;;;;0.87;;-4.61;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM428263;MM428263;CC(C)C1=NN(C=N)CC1;APNLQFIFDORJEM-UHFFFAOYSA-N;139.2;1.31;;;;;DOPC;MDCG;27;0;"MARTINI bead: SN0_SP2";;;;;;;0.06;;-2.21;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM428264;MM428264;C=NN(C=N)C=CC#CC;IPWAEHBJYWMTHY-UHFFFAOYSA-N;135.17;1.05;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4_P2";;;;;;;1.09;;-0.37;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM428265;MM428265;C#CC12CN(C)C(=N)C1N2;JJVVVGUQTFQGHI-UHFFFAOYSA-N;135.17;-0.75;;;;;DOPC;MDCG;27;1;"MARTINI bead: SP2_SNd";;;;;;;-0.24;;-5.46;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM428266;MM428266;CCOC1=CC(=NN)C=C1;UNYQVHLJBQPKPT-UHFFFAOYSA-N;138.17;0.79;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC5_SNd";;;;;;;1.64;;0.02;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM428267;MM428267;C#CC1OC1C(CN)CO;CPXMLWLNMKAMFP-UHFFFAOYSA-N;141.17;-1.05;;;;;DOPC;MDCG;27;1;"MARTINI bead: P2_SNa";;;;;;;-0.24;;-5.59;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM428268;MM428268;CON=CN=C(N)C=O;VWMKWLDFCCQOBO-UHFFFAOYSA-N;129.12;-0.87;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_P2";;;;;;;-1.06;;-3.82;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM428269;MM428269;C=Cc1nc(=NN)n(C)o1;SBOXFCYLIQNZCW-UHFFFAOYSA-N;140.15;-0.57;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP1_SP2";;;;;;;-1.06;;-3.82;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM428270;MM428270;C=NN(C=O)C=CC#CC;FOISBZOUZNMEFT-UHFFFAOYSA-N;136.15;0.6;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4_P2";;;;;;;1.09;;-0.38;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM428271;MM428271;C#CC(C=NN)=NOCC;UQAZORPTOCNAQB-UHFFFAOYSA-N;139.16;-0.04;;;;;DOPC;MDCG;27;0;"MARTINI bead: N0_P1";;;;;;;0.34;;-1.53;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM428272;MM428272;CCC1(C)C(=O)CN1C;WBUXGNDQUCFFQR-UHFFFAOYSA-N;127.19;0.67;;;;;DOPC;MDCG;27;0;"MARTINI bead: SN0_SP2";;;;;;;0.06;;-2.21;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM428273;MM428273;CCOC1=CC(=NO)C=C1;MRAOSXZTXMWMQH-UHFFFAOYSA-N;139.15;1.31;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC5_SNda";;;;;;;1.64;;0.05;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM428274;MM428274;C#CC1OC1C(CN)CF;KESBBCHYMFERQA-UHFFFAOYSA-N;143.16;-0.07;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1_SNa";;;;;;;0.04;;-5.18;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM428275;MM428275;C#Cc1nc(=NN)n(C)o1;HTLXYJRNQSZDJP-UHFFFAOYSA-N;138.13;-1.23;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP1_SP2";;;;;;;-1.06;;-3.82;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM428276;MM428276;C#CC(C=NN)=NOC=O;NOHZVDZAJRTZMC-UHFFFAOYSA-N;139.11;-0.91;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_Na";;;;;;;0.04;;-2.54;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM428277;MM428277;C=CN(C=O)N=CC#CC;KMUCLKATQQFNAY-UHFFFAOYSA-N;136.15;0.6;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4_P2";;;;;;;1.09;;-0.38;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM428278;MM428278;CCCC1=CC(=NC)N=C1;XOAVBLNHRVZQFQ-UHFFFAOYSA-N;136.2;1.83;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC4_SN0";;;;;;;2.5;;0.46;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM428279;MM428279;N#CC1(CNNC=O)CN1;PDWAIAGFDQHYOC-UHFFFAOYSA-N;140.15;-1.9;;;;;DOPC;MDCG;27;0;"MARTINI bead: P4_SP1";;;;;;;-2.01;;-5.13;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM428280;MM428280;C#CC1OC1C(CO)CO;JJUGADGRLCUYTG-UHFFFAOYSA-N;142.15;-1.01;;;;;DOPC;MDCG;27;0;"MARTINI bead: P3_SNa";;;;;;;-1.1;;-4.2;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM428281;MM428281;C#CC1C=C(C(C)C)CC1;PLMLWJKEJOJVDJ-UHFFFAOYSA-N;134.22;2.61;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC1_SC5";;;;;;;3.68;;0.46;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM428282;MM428282;C#CC(C=NN)=NN=CC;YTYRCQSZYVINTA-UHFFFAOYSA-N;136.16;0.01;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4_P1";;;;;;;1.37;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM428283;MM428283;CC#CC=NN(C=N)C=N;MIZNVNDPSHXSEF-UHFFFAOYSA-N;136.16;0.51;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4_P3";;;;;;;0.23;;-1.03;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM428284;MM428284;C=CCOCC1(C=C)CN1;QHKGWNSBMSJLIF-UHFFFAOYSA-N;139.2;0.72;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_SP1";;;;;;;0.04;;-2.54;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM428285;MM428285;CN=C1C=C(CCN)C=N1;VCTJDDJHMYCJFK-UHFFFAOYSA-N;137.19;0.37;;;;;DOPC;MDCG;27;1;"MARTINI bead: SN0_SNd";;;;;;;1.17;;-3.78;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM428286;MM428286;C#CC1OC1C(CO)NC;PIDICEUWPBKBQX-UHFFFAOYSA-N;141.17;-1.03;;;;;DOPC;MDCG;27;1;"MARTINI bead: P2_SNa";;;;;;;-0.24;;-4.88;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM428287;MM428287;C#CC1C=C(C(C)N)CC1;SYVXCWWCXGLDTQ-UHFFFAOYSA-N;135.21;1.3;;;;;DOPC;MDCG;27;1;"MARTINI bead: SC5_SC5";;;;;;;2.41;;-0.19;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM428288;MM428288;C#CC(C=C)C=CC#CC;MGMPVSSPEKFSIK-UHFFFAOYSA-N;130.19;2;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4_C4";;;;;;;3.53;;0.53;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM428289;MM428289;C#CC12CC(C)C(=C)C1O2;HPZPDJWFPZVFCC-UHFFFAOYSA-N;134.18;1.35;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNa_SC3";;;;;;;2.57;;0.45;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM428290;MM428290;C=CCOCC1(C=O)CN1;ANAJQQFWLQVKSM-UHFFFAOYSA-N;141.17;-0.27;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_SP2";;;;;;;-0.24;;-3.24;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM428291;MM428291;C#CC1OC1C(CN)OC;UPKZLVVCEQHXTD-UHFFFAOYSA-N;141.17;-0.64;;;;;DOPC;MDCG;27;1;"MARTINI bead: P2_SNa";;;;;;;-0.24;;-5.23;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM428292;MM428292;CCC#CC=COC=NN;VFXUEBOOJVDMLF-UHFFFAOYSA-N;138.17;0.83;;;;;DOPC;MDCG;27;0;"MARTINI bead: C3_P1";;;;;;;1.74;;0.29;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM428293;MM428293;C#CC(C=O)C=CC#CC;FPZIIHBTCMNSTC-UHFFFAOYSA-N;132.16;1.01;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4_Na";;;;;;;2.2;;0.34;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM428294;MM428294;C#CC1C=C(C(C)C)CN1;LJIJCGNGZMQESC-UHFFFAOYSA-N;135.21;1.17;;;;;DOPC;MDCG;27;1;"MARTINI bead: SN0_SP1";;;;;;;0.34;;-3.72;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM428295;MM428295;C#CC12CC(N)C(=C)C1O2;XJTBFLVWSCPWAT-UHFFFAOYSA-N;135.17;0.04;;;;;DOPC;MDCG;27;1;"MARTINI bead: SNa_SNd";;;;;;;0.87;;-4.2;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM428296;MM428296;C=CCOCC1(C#N)CN1;XQHXMSZCHZXKHK-UHFFFAOYSA-N;138.17;0.05;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_SP2";;;;;;;-0.24;;-3.24;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM428297;MM428297;C#CC1OC1C(CO)OC;CZLSQNDRBSQWFW-UHFFFAOYSA-N;142.15;-0.61;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_SNa";;;;;;;-0.24;;-3.24;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM428298;MM428298;NN=COC=CC#CCF;RMAXCIMMJXBBBS-UHFFFAOYSA-N;142.13;0.39;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_C5";;;;;;;0.81;;-0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM428299;MM428299;C#CC(C#N)C=CC#CC;HBOILZUSDCFMKI-UHFFFAOYSA-N;129.16;1.34;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4_N0";;;;;;;2.5;;0.44;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM428300;MM428300;C=C(C)C1=CC(CC)CC1;XWETXPNKIAISBL-UHFFFAOYSA-N;136.24;3.31;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC2_SC1";;;;;;;4.87;;0.53;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM428301;MM428301;C#CC12CC(O)C(=C)C1O2;JWIXDTHGYNXOHK-UHFFFAOYSA-N;136.15;0.08;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNa_SNda";;;;;;;0.87;;-1.99;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM428302;MM428302;C#CC1OC1C(OC)OC;ZXMCJFRQIYJIIV-UHFFFAOYSA-N;142.15;0.01;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_SNa";;;;;;;0.04;;-2.54;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM428303;MM428303;CN1CC(=O)C1(C)C=O;LCCWDRIWBFIXMR-UHFFFAOYSA-N;127.14;-0.54;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP2_SP1";;;;;;;-1.06;;-3.82;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM428304;MM428304;NCCc1c[nH]c(N=O)c1;POCHHFGAESPFPK-UHFFFAOYSA-N;139.16;0.91;;;;;DOPC;MDCG;27;1;"MARTINI bead: SNd_SNd";;;;;;;0.87;;-4.42;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM428305;MM428305;C#CC(C#C)C=CC#CC;WSQBLSQNBLZVSP-UHFFFAOYSA-N;128.17;1.45;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4_C5";;;;;;;2.97;;0.45;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM428306;MM428306;C=C(C)C1=CC(CN)CC1;DWULWMSXODTZJS-UHFFFAOYSA-N;137.23;1.86;;;;;DOPC;MDCG;27;1;"MARTINI bead: SC1_SNd";;;;;;;2.91;;-0.53;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM428307;MM428307;C#CC12CC(C)C(=O)C1O2;QQQBTFATZUZQJC-UHFFFAOYSA-N;136.15;0.37;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNa_SNa";;;;;;;0.87;;-2.22;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM428308;MM428308;C#CC1CN1C(CC)CC;UDZYVBMHRCMWQQ-UHFFFAOYSA-N;137.23;1.49;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_SP3";;;;;;;-0.33;;-2.01;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM428309;MM428309;N#CCOCC1(C=O)CN1;YMPCEVCZRNGLKO-UHFFFAOYSA-N;140.14;-0.93;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP2_P1";;;;;;;-1.06;;-3.82;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM428310;MM428310;CN=C1C=C(CNC)C=N1;ROTRKZNNDFWQIQ-UHFFFAOYSA-N;137.19;0.24;;;;;DOPC;MDCG;27;1;"MARTINI bead: SP1_SN0";;;;;;;0.34;;-3.41;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM428311;MM428311;Cc1cnc(=NN)n(C)n1;MVYBAEMEDYQDPL-UHFFFAOYSA-N;139.16;-1.1;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP2_SP2";;;;;;;-1.34;;-4.31;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM428312;MM428312;CC=C(C=CCCC)CC;VOLRYTJHPAZXMM-UHFFFAOYSA-N;138.25;3.7;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1_C1";;;;;;;4.95;;0.69;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM428313;MM428313;C#CC12CC(O)C(=O)C1O2;QTMHOKHKEBZVKF-UHFFFAOYSA-N;138.12;-0.91;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNa_SP1";;;;;;;0.04;;-2.54;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM428314;MM428314;C#CC1CC1C(C=C)CC;WATOEBBEWUZYFK-UHFFFAOYSA-N;134.22;2.47;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1_SC5";;;;;;;3.68;;0.46;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM428315;MM428315;CNCc1c[nH]c(N=N)c1;CTWCSZTXMYVDLO-UHFFFAOYSA-N;138.17;1.4;;;;;DOPC;MDCG;27;1;"MARTINI bead: SNd_SP1";;;;;;;0.04;;-4.29;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM428316;MM428316;C=CC1(CONC=N)CN1;NWJPQJNIGWWUDL-UHFFFAOYSA-N;141.17;-0.36;;;;;DOPC;MDCG;27;1;"MARTINI bead: SP1_P4";;;;;;;-2.01;;-6.87;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM428317;MM428317;C=C(C)C1=CC(CF)CC1;CRYGZBDRKMBDRD-UHFFFAOYSA-N;140.2;2.87;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC1_SC5";;;;;;;3.68;;0.46;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM428318;MM428318;CC=C(C=CCCN)CC;BUJONQNGHJZBKS-UHFFFAOYSA-N;139.24;2.25;;;;;DOPC;MDCG;27;1;"MARTINI bead: C1_Nd";;;;;;;2.91;;-0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM428319;MM428319;C#CC1CC1C(C#N)CC;PSVVPPRNGJNVHX-UHFFFAOYSA-N;133.19;1.81;;;;;DOPC;MDCG;27;0;"MARTINI bead: N0_SC5";;;;;;;1.94;;0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM428320;MM428320;C#CC12CN(C)C(=N)C1O2;PPUMDOQPZOMRHW-UHFFFAOYSA-N;136.15;-0.32;;;;;DOPC;MDCG;27;1;"MARTINI bead: SP2_SNd";;;;;;;-0.24;;-4.91;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM428321;MM428321;CC1=C(C)C(C)C(O)C1;VMJBMDTXZXAVDY-UHFFFAOYSA-N;126.2;1.72;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNda_SC1";;;;;;;2.91;;0.57;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM428322;MM428322;C=CC#CC=COC=NN;HUQVKUWTTXTLCS-UHFFFAOYSA-N;136.15;0.61;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_C4";;;;;;;1.37;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM428323;MM428323;CCC1C=C(C(C)=O)CC1;DVICPGGZRIDDLH-UHFFFAOYSA-N;138.21;2.32;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC2_SC5";;;;;;;3.6;;0.34;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM428324;MM428324;CC=C(C=CCCF)CC;ZLOVVDXQICOELP-UHFFFAOYSA-N;142.22;3.26;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1_C5";;;;;;;3.68;;0.46;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM428325;MM428325;C#CC12CN(C)C(=O)C1O2;NPVWBCHEPZHBQJ-UHFFFAOYSA-N;137.14;-0.77;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP2_SP1";;;;;;;-1.06;;-3.82;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM428326;MM428326;C#CC1CC1C(C=C)CN;MOWCJPBQGVRFSQ-UHFFFAOYSA-N;135.21;1.02;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_SC5";;;;;;;1.64;;-2.66;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM428327;MM428327;C=CCCCC1(C=C)CO1;WVMBUGDEHRRVPU-UHFFFAOYSA-N;138.21;2.3;;;;;DOPC;MDCG;27;0;"MARTINI bead: C3_SNa";;;;;;;2.57;;0.45;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM428328;MM428328;C#CC#CC=COC=NN;BXDUOIQMVGRJRH-UHFFFAOYSA-N;134.14;0.06;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_C4";;;;;;;1.37;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM428329;MM428329;Cn1nc(F)cnc1=NN;YHRONWSVCRJHQB-UHFFFAOYSA-N;143.13;-1.27;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP1_SP2";;;;;;;-1.06;;-3.82;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM428330;MM428330;CCCC=CC(=CF)CC;XPOGUVSOEJONAK-UHFFFAOYSA-N;142.22;3.61;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1_C2";;;;;;;4.87;;0.53;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM428331;MM428331;CCC(O)C(C)C1CC1C;OAVSSGTUWDPZFE-UHFFFAOYSA-N;142.24;2.05;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda_SC3";;;;;;;2.57;;0.44;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM428332;MM428332;CCC1C(C)C1OC=NN;YZMBLXDCSMBCQS-UHFFFAOYSA-N;142.2;0.95;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC3_P1";;;;;;;1.74;;0.29;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM428333;MM428333;C#CC(=NNC=N)C(=C)F;CUJCFZUEMFYXOO-UHFFFAOYSA-N;139.13;0.66;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_Nd";;;;;;;1.64;;0.03;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM428334;MM428334;C=CC1(CCCC#N)CO1;FATINVKNOUJPQJ-UHFFFAOYSA-N;137.18;1.64;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNa_P1";;;;;;;0.04;;-2.54;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM428335;MM428335;CCC1C=C(C(=N)N)CC1;IBVUPKNUJOXCJM-UHFFFAOYSA-N;138.21;1.67;;;;;DOPC;MDCG;27;1;"MARTINI bead: SC2_SNd";;;;;;;2.83;;-2.75;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM428336;MM428336;CCC(C=CCCN)=CF;XBMQIRSFDJWHDJ-UHFFFAOYSA-N;143.21;2.15;;;;;DOPC;MDCG;27;1;"MARTINI bead: C3_Nd";;;;;;;2.57;;-1.48;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM428337;MM428337;NN=COCC1CN1C=O;GLEZKSMQEMHOGG-UHFFFAOYSA-N;143.15;-1.25;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_SP2";;;;;;;-1.06;;-3.82;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM428338;MM428338;C#CC1CC1C(C#N)CF;SSOZCJOYOZQEOT-UHFFFAOYSA-N;137.16;1.36;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_SC5";;;;;;;1.64;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM428339;MM428339;C=C1CC2(CC)CC2C1=C;IVFOHMYYKLOCQV-UHFFFAOYSA-N;134.22;2.92;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC3_SC4";;;;;;;3.9;;0.47;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM428340;MM428340;C=CCCCC1(C=O)CO1;BNJJADRPVHIPJQ-UHFFFAOYSA-N;140.18;1.31;;;;;DOPC;MDCG;27;0;"MARTINI bead: C3_SP1";;;;;;;1.74;;0.29;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM428341;MM428341;N=C(N)C1=CC(CN)CC1;HOYZZKHZQGZAMN-UHFFFAOYSA-N;139.2;0.22;;;;;DOPC;MDCG;27;1;"MARTINI bead: SNd_SNd";;;;;;;0.87;;-6.94;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM428342;MM428342;CC=C(C=CCCC)CN;YFVITNWXPAOTJF-UHFFFAOYSA-N;139.24;2.25;;;;;DOPC;MDCG;27;1;"MARTINI bead: C1_Nd";;;;;;;2.91;;-0.05;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM428343;MM428343;C=NN1CC1COC=NN;NHKSYNSASCNPQZ-UHFFFAOYSA-N;142.16;-0.8;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_SP2";;;;;;;-1.06;;-3.82;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM428344;MM428344;C=C1CC2(CN)CC2C1=C;RALYDHHNFIBZRB-UHFFFAOYSA-N;135.21;1.47;;;;;DOPC;MDCG;27;1;"MARTINI bead: SNd_SC4";;;;;;;2.2;;-1.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM428345;MM428345;C#CC1CC1C(C=C)NC;UBIYVMXZKWTNRJ-UHFFFAOYSA-N;135.21;1.03;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_SC5";;;;;;;1.64;;-2.43;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM428346;MM428346;N#CCCCC1(C=O)CO1;BEIHEPUEUJEEDO-UHFFFAOYSA-N;139.15;0.65;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP2_N0";;;;;;;0.06;;-2.21;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM428347;MM428347;CC=C(C=CCCF)CN;ZZYZEQTXDZGACU-UHFFFAOYSA-N;143.21;1.81;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_C5";;;;;;;1.64;;-2.1;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM428348;MM428348;N=C(N)C1=CC(CO)CC1;VHEOJHFZSKLXQM-UHFFFAOYSA-N;140.19;0.25;;;;;DOPC;MDCG;27;1;"MARTINI bead: SNd_SNda";;;;;;;0.87;;-6.71;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM428349;MM428349;CCC1COC(=NN)CN1;WHFVUNUQBMKPPN-UHFFFAOYSA-N;143.19;-0.34;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNd_SP2";;;;;;;-0.24;;-3.16;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM428350;MM428350;C#CC(=NN=COC)NC;JLQOUJZUNXLLCF-UHFFFAOYSA-N;139.16;-0.17;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_C5";;;;;;;0.54;;-1.09;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM428351;MM428351;C#CC1CC1C(C=C)OC;FKQLBJRRWSZPTL-UHFFFAOYSA-N;136.19;1.46;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_SC5";;;;;;;1.64;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM428352;MM428352;C=CC1(CCNC=N)CO1;WMEXKWRSSVCXFL-UHFFFAOYSA-N;140.19;0.53;;;;;DOPC;MDCG;27;1;"MARTINI bead: SNa_P3";;;;;;;-1.1;;-8.15;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM428353;MM428353;CCCC=CC(=CF)CN;YWSPQMYUZZYXEH-UHFFFAOYSA-N;143.21;2.15;;;;;DOPC;MDCG;27;1;"MARTINI bead: C1_P1";;;;;;;2.08;;-0.54;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM428354;MM428354;C=C(C)C1=CC(NC)CC1;FOGOJIROMZWYEG-UHFFFAOYSA-N;137.23;1.87;;;;;DOPC;MDCG;27;1;"MARTINI bead: SNd_SC1";;;;;;;2.91;;-0.25;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM428355;MM428355;CCC12COC(=NN)C1N2;YGBCCSOCJBGBMA-UHFFFAOYSA-N;141.17;-0.59;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNd_SNda";;;;;;;0.87;;-1.92;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM428356;MM428356;C=C1CC2(CF)CC2C1=C;LJTCMGRECVQGEX-UHFFFAOYSA-N;138.19;2.48;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC5_SC4";;;;;;;2.97;;0.45;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM428357;MM428357;C#CC1CC1N(C=N)CC;HBHOUYIFFFHCJO-UHFFFAOYSA-N;136.2;0.94;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_SC5";;;;;;;1.64;;-3.59;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM428358;MM428358;Cc1c(N)c(N)nn1N;XNYQENBJJGSNHL-UHFFFAOYSA-N;127.15;-0.93;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP2_SP1";;;;;;;-1.06;;-3.82;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM428359;MM428359;NCC(C=CCCF)=CF;SFMHRUQVQOHGIK-UHFFFAOYSA-N;147.17;1.71;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1_C4";;;;;;;1.37;;-2.07;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM428360;MM428360;CNC1C=C(C(=N)N)CC1;VZDHRKUHSLTVRK-UHFFFAOYSA-N;139.2;0.23;;;;;DOPC;MDCG;27;1;"MARTINI bead: SNd_SNd";;;;;;;0.87;;-6.83;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM428361;MM428361;C=C1C(=O)CC2(CC)CC12;ARIBETFJQRFQRQ-UHFFFAOYSA-N;136.19;1.93;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC3_SNa";;;;;;;2.57;;0.45;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM428362;MM428362;C#CC1CC1N(C=O)NC;SGGRXAMLYBASAF-UHFFFAOYSA-N;138.17;-0.4;;;;;DOPC;MDCG;27;0;"MARTINI bead: P3_SC5";;;;;;;-0.33;;-2.01;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM428363;MM428363;N=CNCCC1(C=O)CO1;QMQOCWPNRSSPAN-UHFFFAOYSA-N;142.16;-0.46;;;;;DOPC;MDCG;27;1;"MARTINI bead: P3_SP1";;;;;;;-1.93;;-8.65;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM428364;MM428364;CCCC1=NC(=NC)C=C1;CLBYNBPDOUGNQW-UHFFFAOYSA-N;136.2;1.83;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC4_SN0";;;;;;;2.5;;0.45;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM428365;MM428365;C=C(C)C1=CC(OC)CC1;GRIGXLCZEOXHMG-UHFFFAOYSA-N;138.21;2.3;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNa_SC1";;;;;;;2.91;;0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM428366;MM428366;CC=C(C=CCCC)CO;OZNZKEOWULUDGU-UHFFFAOYSA-N;140.23;2.28;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1_Nda";;;;;;;2.91;;0.57;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM428367;MM428367;CN=C1C=CC(CCN)=N1;NETPYBPYHJNGIH-UHFFFAOYSA-N;137.19;0.37;;;;;DOPC;MDCG;27;1;"MARTINI bead: SN0_SNd";;;;;;;1.17;;-3.44;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM428368;MM428368;N#CC1(CCNC=N)CO1;BNGYOAGPSFZGNG-UHFFFAOYSA-N;139.16;-0.13;;;;;DOPC;MDCG;27;1;"MARTINI bead: P3_SNa";;;;;;;-1.1;;-8.14;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM428369;MM428369;C#CC1NC1C(C=C)CC;BDFYWDKCEVSUKY-UHFFFAOYSA-N;135.21;1.17;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1_SP3";;;;;;;0.94;;0.05;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM428370;MM428370;C=C1CC2(CC)CC2C1=O;PGEGKSSTZTYDKK-UHFFFAOYSA-N;136.19;1.93;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC3_SNa";;;;;;;2.57;;0.45;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM428371;MM428371;CC=C(C=CCCN)CO;IYRMZZULKIVNMD-UHFFFAOYSA-N;141.21;0.83;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nda_Nd";;;;;;;0.87;;-4.68;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM428372;MM428372;COC1C=C(C(=N)N)CC1;IGJYFCAJRORQPL-UHFFFAOYSA-N;140.19;0.66;;;;;DOPC;MDCG;27;1;"MARTINI bead: SNa_SNd";;;;;;;0.87;;-6.5;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM428373;MM428373;NN=C1OCC2(CF)NC12;JSGXXVIMZBJGTM-UHFFFAOYSA-N;145.14;-1.03;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNda_SP1";;;;;;;0.04;;-2.73;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM428374;MM428374;CCC12CC(=O)C(=O)C1C2;VGOHOKHNDFKMLC-UHFFFAOYSA-N;138.17;0.94;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC3_SNa";;;;;;;2.57;;0.45;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM428375;MM428375;Cn1c(N)cnc(N)c1=O;RLLYQKHFSMVUFW-UHFFFAOYSA-N;140.15;-1.06;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP3_SP1";;;;;;;-1.93;;-4.72;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM428376;MM428376;O=CNCCC1(C=O)CO1;DZVOQCFXSGHJSL-UHFFFAOYSA-N;143.14;-0.91;;;;;DOPC;MDCG;27;0;"MARTINI bead: P3_SP1";;;;;;;-1.93;;-4.72;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM428377;MM428377;C=C(C)C1=CC(CC)NC1;SOQBRNLIBONBPJ-UHFFFAOYSA-N;137.23;1.87;;;;;DOPC;MDCG;27;1;"MARTINI bead: SNd_SN0";;;;;;;1.17;;-4.47;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM428378;MM428378;C#CC=NNC(C)C(C)=O;SDUHCZBVUAFQCI-UHFFFAOYSA-N;138.17;0.17;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nd_Na";;;;;;;0.87;;-1.88;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM428379;MM428379;N#CC1(CCNC=O)CO1;GGCBQYMDFIHFAG-UHFFFAOYSA-N;140.14;-0.58;;;;;DOPC;MDCG;27;0;"MARTINI bead: P3_SNa";;;;;;;-1.1;;-4.2;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM428380;MM428380;C=C1CC2(NC)CC2C1=C;IRQDTDWTIJUBRZ-UHFFFAOYSA-N;135.21;1.48;;;;;DOPC;MDCG;27;1;"MARTINI bead: SNd_SC4";;;;;;;2.2;;-2.12;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM428381;MM428381;C=CC12COC(=NN)C1N2;FEZDBVHAZHRDHC-UHFFFAOYSA-N;139.16;-0.81;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNda_SP1";;;;;;;0.04;;-2.73;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM428382;MM428382;C#CC1NC1C(C#N)CC;JNBUYWVKTXCPGQ-UHFFFAOYSA-N;134.18;0.51;;;;;DOPC;MDCG;27;0;"MARTINI bead: N0_SP3";;;;;;;-0.8;;-2.99;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM428383;MM428383;CC=C(C=CCCF)CO;UZXZJWDXRWJDEU-UHFFFAOYSA-N;144.19;1.84;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda_C5";;;;;;;1.64;;0.05;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM428384;MM428384;C=C(C)C1=CC(CN)NC1;FPWALXSRQLERAC-UHFFFAOYSA-N;138.21;0.42;;;;;DOPC;MDCG;27;1;"MARTINI bead: SN0_SP2";;;;;;;0.06;;-5.09;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM428385;MM428385;C=C1C(=O)CC2(NC)CC12;BZYDWDAZNLASDA-UHFFFAOYSA-N;137.18;0.49;;;;;DOPC;MDCG;27;1;"MARTINI bead: SNd_SNa";;;;;;;0.87;;-3.95;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM428386;MM428386;C=CC1(CCNN=C)CO1;ZWKDHWYWECDWCG-UHFFFAOYSA-N;140.19;0.54;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNa_P2";;;;;;;-0.24;;-3.24;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM428387;MM428387;NCCc1ccc(N=O)[nH]1;LEOBYETVCKRBGV-UHFFFAOYSA-N;139.16;0.91;;;;;DOPC;MDCG;27;1;"MARTINI bead: SNd_SNd";;;;;;;0.87;;-4.5;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM428388;MM428388;C#CC1NC1C(C=C)CN;YADGOYWWGYHBED-UHFFFAOYSA-N;136.2;-0.28;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_SP3";;;;;;;-1.1;;-6.33;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM428389;MM428389;CCCC=CC(=CF)CO;UUKSXQQFWPWACW-UHFFFAOYSA-N;144.19;2.19;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1_Nda";;;;;;;2.91;;0.57;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM428390;MM428390;C=C(C)C1=CC(CO)NC1;JGIJOJUEQNXHHR-UHFFFAOYSA-N;139.2;0.45;;;;;DOPC;MDCG;27;1;"MARTINI bead: SN0_SP1";;;;;;;0.34;;-4.23;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM428391;MM428391;CCCC1=NC(=NC)N=C1;HACFVOLQIVAILR-UHFFFAOYSA-N;137.19;1.3;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC5_SP1";;;;;;;0.81;;-0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM428392;MM428392;C=C1CC2(NC)CC2C1=O;DBBGQLVTPGSWSQ-UHFFFAOYSA-N;137.18;0.49;;;;;DOPC;MDCG;27;1;"MARTINI bead: SNd_SNa";;;;;;;0.87;;-3.94;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM428393;MM428393;C=NNCCC1(C=O)CO1;NLFNPRMIQNADQV-UHFFFAOYSA-N;142.16;-0.45;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_SP1";;;;;;;-1.06;;-3.82;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM428394;MM428394;N=c1nnc(N)c(CF)o1;YHAKPZPZCXZWHV-UHFFFAOYSA-N;144.11;-0.4;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP3_SP3";;;;;;;-3.07;;-6.15;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM428395;MM428395;CC=C(C=CCCC)CF;KFVUVCWTPHOWGN-UHFFFAOYSA-N;142.22;3.26;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1_C4";;;;;;;4.24;;0.42;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM428396;MM428396;C=C(C)C1=CC(CF)NC1;MHFLUPGBUCSZCS-UHFFFAOYSA-N;141.19;1.43;;;;;DOPC;MDCG;27;1;"MARTINI bead: SN0_SNda";;;;;;;1.17;;-2.89;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM428397;MM428397;C=C1CC2(OC)CC2C1=C;KREIRTYISJPPNR-UHFFFAOYSA-N;136.19;1.91;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNa_SC4";;;;;;;2.2;;0.34;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM428398;MM428398;Cc1ocnc1N;NZOYZYHMHMREMM-UHFFFAOYSA-N;98.11;0.57;;;;;DOPC;MDCG;27;0;"MARTINI bead: SN0_SP1";;;;;;;0.34;;-1.53;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM428399;MM428399;C#Cc1nc(N)c(C)o1;XAPOJRKPWAXCGT-UHFFFAOYSA-N;122.13;0.55;;;;;DOPC;MDCG;27;0;"MARTINI bead: SN0_SNda";;;;;;;1.17;;-1.13;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM428400;MM428400;C#CC1NC1C(C=C)NC;IBFSODDUDMVMTO-UHFFFAOYSA-N;136.2;-0.27;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_SP3";;;;;;;-1.1;;-5.4;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM428401;MM428401;CC=C(C=CCCN)CF;DIUMYNMUHPFRGI-UHFFFAOYSA-N;143.21;1.81;;;;;DOPC;MDCG;27;1;"MARTINI bead: C3_Nd";;;;;;;2.57;;-1.48;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM428402;MM428402;C=C(C)C1=CC(CC)OC1;QFSDAUYGSYCBCV-UHFFFAOYSA-N;138.21;2.3;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNa_SC5";;;;;;;1.64;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM428403;MM428403;C=COCCC1(C=C)CO1;GITDQOWVFQUFRL-UHFFFAOYSA-N;140.18;1.49;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_SNa";;;;;;;0.87;;-2.22;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM428404;MM428404;C#CC1NC1C(C#N)OC;RJPFIJFISSHOMH-UHFFFAOYSA-N;136.15;-0.5;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_SP3";;;;;;;-1.93;;-4.72;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM428405;MM428405;CCCC1=NC(=NO)N=C1;WBOAASMVDLLNKG-UHFFFAOYSA-N;139.16;1.06;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC5_SP1";;;;;;;0.81;;-0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM428406;MM428406;C=C1C(=O)NC2(CN)CC12;ZIMSFHCPIZIFPO-UHFFFAOYSA-N;138.17;-0.61;;;;;DOPC;MDCG;27;1;"MARTINI bead: SNd_SP1";;;;;;;0.04;;-4.43;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM428407;MM428407;NCCC=CC(=CF)CF;VHMNUWZSBTXWNX-UHFFFAOYSA-N;147.17;1.71;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_C5";;;;;;;1.64;;-2.66;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM428408;MM428408;C=C(C)C1=CC(CN)OC1;OADCYARGFGWMMT-UHFFFAOYSA-N;139.2;0.85;;;;;DOPC;MDCG;27;1;"MARTINI bead: SC5_SP1";;;;;;;0.81;;-2.51;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM428409;MM428409;C#CC1OC1C(C#N)CC;JJMGJMSKVWWFMS-UHFFFAOYSA-N;135.17;0.94;;;;;DOPC;MDCG;27;0;"MARTINI bead: N0_SNa";;;;;;;1.17;;-1.18;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM428410;MM428410;C=CC1(CCOC=O)CO1;XVBZFUVUJCYRIM-UHFFFAOYSA-N;142.15;0.5;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNa_P1";;;;;;;0.04;;-2.54;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM428411;MM428411;CCCC1=NC(=NC)C=N1;QMDZUIVYZAJFOR-UHFFFAOYSA-N;137.19;1.3;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC5_SP1";;;;;;;0.81;;-0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM428412;MM428412;CCC12CC1C(=O)C(=N)N2;NSMNOMNXSSWSTP-UHFFFAOYSA-N;138.17;0.3;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNd_SP2";;;;;;;-0.24;;-3.16;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM428413;MM428413;C=C(F)C(=O)OC=NNC;SLKNNHKUTYMUAK-UHFFFAOYSA-N;146.12;0.18;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_C5";;;;;;;0.81;;-0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM428414;MM428414;C=C(C)C1=NN(CC)CC1;UCCDISKXVGYMPE-UHFFFAOYSA-N;138.21;1.64;;;;;DOPC;MDCG;27;0;"MARTINI bead: SN0_SP1";;;;;;;0.34;;-1.53;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM428415;MM428415;C=COCCC1(C#N)CO1;SFSGGSLCVZYNKT-UHFFFAOYSA-N;139.15;0.83;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_SNa";;;;;;;0.87;;-2.22;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM428416;MM428416;C#CC1OC1C(C=C)CN;AYUWHSOUVLMZNZ-UHFFFAOYSA-N;137.18;0.15;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_SNa";;;;;;;0.87;;-4.57;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM428417;MM428417;C=C1OC2(CC)CC2C1=O;ALWDLYHDLCVPCV-UHFFFAOYSA-N;138.17;1.27;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNa_SNa";;;;;;;0.87;;-2.22;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM428418;MM428418;C#CC1NC1C=O;XMNPJCSAAOPNHN-UHFFFAOYSA-N;95.1;-0.84;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_SP3";;;;;;;-2.2;;-5.19;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM428419;MM428419;CCC(C=CCNC)=CF;XCQANFUHFHLVJQ-UHFFFAOYSA-N;143.21;2.03;;;;;DOPC;MDCG;27;1;"MARTINI bead: C3_Nd";;;;;;;2.57;;-1.1;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM428420;MM428420;C=CC1C=C(C(=C)C)CC1;VPTICEXQYBMKMD-UHFFFAOYSA-N;134.22;3.08;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC1_SC4";;;;;;;4.24;;0.42;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM428421;MM428421;N#CC1(CCOC=O)CO1;QCOMDUIRCNPRLN-UHFFFAOYSA-N;141.13;-0.16;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_SNa";;;;;;;0.04;;-2.54;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM428422;MM428422;CCCc1nc(N=O)c[nH]1;MJLRFQOFJBHRRR-UHFFFAOYSA-N;139.16;1.76;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC5_SP1";;;;;;;0.81;;-0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM428423;MM428423;C=C1CC2(CN)NC2C1=C;JCVGAWQHXRSZMC-UHFFFAOYSA-N;136.2;0.17;;;;;DOPC;MDCG;27;1;"MARTINI bead: SP2_SC4";;;;;;;1.09;;-2.3;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM428424;MM428424;C#CC1OC1C(C#N)CO;VLTIJQILCVGMHW-UHFFFAOYSA-N;137.14;-0.48;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_SNa";;;;;;;-0.24;;-3.24;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM428425;MM428425;C=C(C)C1=CC(C=O)CC1;MWIMDAXNCQISPY-UHFFFAOYSA-N;136.19;2.1;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC1_SNa";;;;;;;2.91;;0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM428426;MM428426;CC=C(C=CCNC)CF;UJJNTUFIONQLOA-UHFFFAOYSA-N;143.21;1.68;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_C4";;;;;;;2.2;;-1.8;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM428427;MM428427;C=CC1(CCON=C)CO1;UNYZMPMOHDXGFE-UHFFFAOYSA-N;141.17;0.96;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNa_P1";;;;;;;0.04;;-2.54;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM428428;MM428428;C=CCC1=CC(=CC)C=C1;HUFAWOAVOAPJEQ-UHFFFAOYSA-N;132.21;3.01;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC4_SC4";;;;;;;3.53;;0.53;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM428429;MM428429;C#CCC(=O)N(C=O)N=C;NPGYXAWEJRZMTC-UHFFFAOYSA-N;138.13;-0.39;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_P2";;;;;;;-0.24;;-3.24;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM428430;MM428430;C#CC1OC1C(C=C)NC;HXXKIKNQBMCFTG-UHFFFAOYSA-N;137.18;0.16;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_SNa";;;;;;;0.87;;-3.44;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM428431;MM428431;CNCC=CC(=CF)CF;WYMNMNCNIWBNFK-UHFFFAOYSA-N;147.17;1.58;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_C5";;;;;;;1.64;;-2.27;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM428432;MM428432;C=C(C)C1=CC(C#N)CC1;OYUIRDBXRVYVFU-UHFFFAOYSA-N;133.19;2.42;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC1_SN0";;;;;;;3.21;;0.46;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM428433;MM428433;C=NOCCC1(C=O)CO1;NTQXSURNGRAKCI-UHFFFAOYSA-N;143.14;-0.02;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_SP1";;;;;;;-0.79;;-3.13;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM428434;MM428434;CNN(C=O)C(=N)C=NN;KPEOZLYXYXXUFY-UHFFFAOYSA-N;143.15;-1.5;;;;;DOPC;MDCG;27;0;"MARTINI bead: P5_P1";;;;;;;-1.94;;-5.95;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM428435;MM428435;CC=C1C=CC(CC=O)=C1;SMOOYGPKVKQQFC-UHFFFAOYSA-N;134.18;2.02;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC4_SNa";;;;;;;2.2;;0.34;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM428436;MM428436;C#CC1OC1C(C=C)OC;FNSYLNZEZZMUMR-UHFFFAOYSA-N;138.17;0.59;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_SNa";;;;;;;0.87;;-2.22;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM428437;MM428437;C=CC1C=C(C(C)=O)CC1;RQYSRGZNBCXTMD-UHFFFAOYSA-N;136.19;2.1;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC5_SC4";;;;;;;2.97;;0.45;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM428438;MM428438;CC=C(C=CCOC)CN;JQQZHTLLOMVMLQ-UHFFFAOYSA-N;141.21;1.09;;;;;DOPC;MDCG;27;1;"MARTINI bead: Na_Nd";;;;;;;0.87;;-4.09;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM428439;MM428439;C=NOCCC1(C#N)CO1;GLSPYYGHFQIKKO-UHFFFAOYSA-N;140.14;0.3;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_SNa";;;;;;;0.04;;-2.54;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM428440;MM428440;N=C(C=NN)N(C=O)C=O;BKBFBSRFCIVWMH-UHFFFAOYSA-N;142.12;-1.48;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_P4";;;;;;;-2.01;;-5.13;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM428441;MM428441;CC=C1C=CC(CC#N)=C1;XZPRPUDPJYPGHH-UHFFFAOYSA-N;131.18;2.34;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC4_SC5";;;;;;;2.97;;0.45;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM428442;MM428442;COCC=CC(=CF)CF;FMLPBNDDKPIOCC-UHFFFAOYSA-N;148.15;2.01;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_C5";;;;;;;1.64;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM428443;MM428443;CNn1ncc(N)cc1=O;OEUPPUBYBVLACQ-UHFFFAOYSA-N;140.15;-1;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP2_SP1";;;;;;;-1.06;;-3.82;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM428444;MM428444;CC(=O)C1=CC(C#N)CC1;UWUYKEGJEIDYMY-UHFFFAOYSA-N;135.17;1.44;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC5_SN0";;;;;;;1.94;;0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM428445;MM428445;C=CCNCC1(C=C)CO1;PEXFWMZABITGQL-UHFFFAOYSA-N;139.2;0.72;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_SNa";;;;;;;0.87;;-3.55;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM428446;MM428446;C=C1CC2(CC)OC2C1=C;ZYBCQDWFQQUERT-UHFFFAOYSA-N;136.19;2.05;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC5_SC4";;;;;;;2.97;;0.45;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM428447;MM428447;C=CCC1=CC(=CF)C=C1;MYJQDXBCHIYQPS-UHFFFAOYSA-N;136.17;2.91;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC5_SC4";;;;;;;2.97;;0.45;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM428448;MM428448;CC=C(C=COCC)CC;WWGNWXBZQJHYTG-UHFFFAOYSA-N;140.23;2.89;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_C1";;;;;;;2.91;;0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM428449;MM428449;C=CC1C=C(C(=N)N)CC1;ZBVBZPITVSAEFS-UHFFFAOYSA-N;136.2;1.44;;;;;DOPC;MDCG;27;1;"MARTINI bead: SNd_SC4";;;;;;;2.2;;-4.2;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM428450;MM428450;C#CC1CN1C(C#N)CC;MCRAQIDTZGFJNO-UHFFFAOYSA-N;134.18;0.61;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_SP3";;;;;;;-1.93;;-4.72;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM428451;MM428451;C=CC1(CNCC#N)CO1;SURDDQCDUHTPEF-UHFFFAOYSA-N;138.17;0.05;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNa_P2";;;;;;;-0.24;;-3.24;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM428452;MM428452;O=CCC1=CC(=CF)C=C1;AFTZIFSOFSJAPW-UHFFFAOYSA-N;138.14;1.93;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC5_SNa";;;;;;;1.64;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM428453;MM428453;C=C1CC2(CO)OC2C1=C;HJGOWCQFRPDWDS-UHFFFAOYSA-N;138.17;0.63;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP1_SC4";;;;;;;1.37;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM428454;MM428454;CCOC=CC(=CF)CC;QTPCZZMYUPUBPS-UHFFFAOYSA-N;144.19;2.8;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_C2";;;;;;;2.83;;0.35;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM428455;MM428455;C#CC1CN1C(C=C)CN;ISCDXWGGZHVFPO-UHFFFAOYSA-N;136.2;-0.18;;;;;DOPC;MDCG;27;1;"MARTINI bead: P3_SP3";;;;;;;-3.07;;-8.07;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM428456;MM428456;C=CC1C=C(C(=C)C)CN1;BYYDVXWCVDTQBA-UHFFFAOYSA-N;135.21;1.65;;;;;DOPC;MDCG;27;1;"MARTINI bead: SN0_SNd";;;;;;;1.17;;-3.66;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM428457;MM428457;N#CCC1=CC(=CF)C=C1;PZBLMAXNPINGEE-UHFFFAOYSA-N;135.14;2.25;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC5_SC5";;;;;;;2.41;;0.64;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM428458;MM428458;C=CCNCC1(C=O)CO1;ATKUYIIVEQHKRY-UHFFFAOYSA-N;141.17;-0.27;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_SP2";;;;;;;-0.24;;-4.19;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM428459;MM428459;C=C1CC2(CC)OC2C1=O;BUDNPWYMZCJPPL-UHFFFAOYSA-N;138.17;1.06;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC5_SNa";;;;;;;1.64;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM428460;MM428460;CC=C(C=COCC)CO;JKOIWQYKESEFEO-UHFFFAOYSA-N;142.2;1.48;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_C5";;;;;;;1.64;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM428461;MM428461;C#CC1CN1N(C=N)CC;ADHCIECYTQIGDB-UHFFFAOYSA-N;137.19;0.15;;;;;DOPC;MDCG;27;1;"MARTINI bead: P2_SP3";;;;;;;-2.2;;-7.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM428462;MM428462;C=C(C)C1=CC(C=O)NC1;KZPNJCQDDVQGML-UHFFFAOYSA-N;137.18;0.66;;;;;DOPC;MDCG;27;1;"MARTINI bead: SN0_SP2";;;;;;;0.06;;-3.57;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM428463;MM428463;C=CCC1=CC(=NN)C=C1;PAEKGOAMLFHGCP-UHFFFAOYSA-N;134.18;1.37;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNd_SC4";;;;;;;2.2;;0.32;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM428464;MM428464;CC12CC1OC(=NN)O2;IRUKAYDOJAYBEM-UHFFFAOYSA-N;128.13;-0.21;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC5_SP2";;;;;;;0.54;;-1.09;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM428465;MM428465;C=C1CC2(CO)OC2C1=O;ZYYCUWAFROLVHT-UHFFFAOYSA-N;140.14;-0.35;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP1_SNa";;;;;;;0.04;;-2.54;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM428466;MM428466;CCOC=CC(=CF)CO;ICOKTSQDXNAXKG-UHFFFAOYSA-N;146.16;1.38;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_Nda";;;;;;;0.87;;-1.99;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM428467;MM428467;C#CC(CC)C1NC1C#C;SCFRWAVYZDOONR-UHFFFAOYSA-N;133.19;0.62;;;;;DOPC;MDCG;27;0;"MARTINI bead: C3_SP3";;;;;;;0.6;;-0.8;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM428468;MM428468;C=C(C)C1=CC(C#N)NC1;AVYJEKDJVCZROB-UHFFFAOYSA-N;134.18;0.98;;;;;DOPC;MDCG;27;0;"MARTINI bead: SN0_SP1";;;;;;;0.34;;-1.53;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM428469;MM428469;C=CCC1=CC(=NO)C=C1;XVMKXLXHIAABEG-UHFFFAOYSA-N;135.17;1.89;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNda_SC4";;;;;;;2.2;;0.49;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM428470;MM428470;N=CNNCC1(C=O)CO1;HBLUYBMRMLMZRW-UHFFFAOYSA-N;143.15;-1.34;;;;;DOPC;MDCG;27;1;"MARTINI bead: P4_SP1";;;;;;;-2.01;;-7.97;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM428471;MM428471;C=CC12CC(=C)C(=C)C1C2;RYMSIIIZXIBPPJ-UHFFFAOYSA-N;132.21;2.69;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC4_SC4";;;;;;;3.53;;0.53;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM428472;MM428472;CC=C(C=COCC)CF;GVUBMSLGFOABGA-UHFFFAOYSA-N;144.19;2.45;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_C3";;;;;;;2.57;;0.45;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM428473;MM428473;C#CC(CN)C1NC1C#C;JXSQCAVYSULDNQ-UHFFFAOYSA-N;134.18;-0.83;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_SP3";;;;;;;-1.1;;-6.04;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM428474;MM428474;C=CC1C=C(C(=C)C)CO1;QEYSDOREYVNVOS-UHFFFAOYSA-N;136.19;2.07;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC5_SNa";;;;;;;1.64;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM428475;MM428475;O=CCC1=CC(=NO)C=C1;MRAGZQDJNBWEMY-UHFFFAOYSA-N;137.14;0.9;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNda_SNa";;;;;;;0.87;;-1.99;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM428476;MM428476;C=NNC1CC(C)C1=O;ROLNZIJVLWHSSN-UHFFFAOYSA-N;126.16;0.17;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNa_SNd";;;;;;;0.87;;-1.88;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM428477;MM428477;C=C1CC2(C=O)CC2C1=C;DTPKTUYRDVTBAJ-UHFFFAOYSA-N;134.18;1.71;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNa_SC4";;;;;;;2.2;;0.34;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM428478;MM428478;CCCC=CC(CC)=NN;DTYSFHMNRXJYED-UHFFFAOYSA-N;140.23;2.07;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1_C5";;;;;;;3.68;;0.46;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM428479;MM428479;C#Cc1nnc(NC)n1N;RWAJEUZXYIKGCW-UHFFFAOYSA-N;137.15;-0.99;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP1_SP2";;;;;;;-1.06;;-3.82;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM428480;MM428480;C=C(C)C1=CN(C=N)CC1;OUSIJCPTHFZNBR-UHFFFAOYSA-N;136.2;1.76;;;;;DOPC;MDCG;27;1;"MARTINI bead: SN0_SP1";;;;;;;0.34;;-4.81;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM428481;MM428481;C=CC1(COCC=O)CO1;DVMQTNUCKSFZBC-UHFFFAOYSA-N;142.15;0.16;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNa_P1";;;;;;;0.04;;-2.54;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM428482;MM428482;CCC(C=CCCF)=NN;NPMPRIGYJSDMKM-UHFFFAOYSA-N;144.19;1.63;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nd_C5";;;;;;;1.64;;0.02;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM428483;MM428483;C=C1CC2(C#N)CC2C1=C;WUYJUVGIIBIIMY-UHFFFAOYSA-N;131.18;2.03;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC5_SC4";;;;;;;2.97;;0.45;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM428484;MM428484;N#CCC1=CC(=NO)C=C1;VFKRLGBTFYWBMZ-UHFFFAOYSA-N;134.14;1.23;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNda_SC5";;;;;;;1.64;;0.05;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM428485;MM428485;C#CC1NC1C(C#C)OC;XEJUMDXWYIDYIE-UHFFFAOYSA-N;135.17;-0.39;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_SP3";;;;;;;-1.1;;-4.2;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM428486;MM428486;C=C(C)C1=CN(C=O)CC1;NXAHUCCKMXIZQF-UHFFFAOYSA-N;137.18;1.31;;;;;DOPC;MDCG;27;0;"MARTINI bead: SN0_SP1";;;;;;;0.34;;-1.53;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM428487;MM428487;C=CC1(COCC#N)CO1;RAYDOELZEURIME-UHFFFAOYSA-N;139.15;0.48;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNa_P1";;;;;;;0.04;;-2.54;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM428488;MM428488;C#CCC(C)C(C)C(C)O;YAYVKCIBRDLJOX-UHFFFAOYSA-N;140.23;1.66;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda_C3";;;;;;;2.57;;0.44;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM428489;MM428489;CC=C1C=CC(NC=N)=C1;QYYUQZXIXKICQY-UHFFFAOYSA-N;134.18;1.58;;;;;DOPC;MDCG;27;1;"MARTINI bead: SC4_SNd";;;;;;;2.2;;-2.51;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM428490;MM428490;C=CC12CC(=O)C(=C)C1C2;HEAWXIMOJMREKT-UHFFFAOYSA-N;134.18;1.71;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC4_SNa";;;;;;;2.2;;0.34;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM428491;MM428491;C#CC(CC)C1OC1C#C;ROEFQDYUPSOZLI-UHFFFAOYSA-N;134.18;1.05;;;;;DOPC;MDCG;27;0;"MARTINI bead: C3_SNa";;;;;;;2.57;;0.45;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM428492;MM428492;CC(=O)C1=CN(C=N)CC1;UQNHUZWVBRJPDT-UHFFFAOYSA-N;138.17;0.77;;;;;DOPC;MDCG;27;1;"MARTINI bead: SP1_SP1";;;;;;;-0.79;;-5.79;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM428493;MM428493;C=CCOCC1(C=O)CO1;BXZLJSOSKZGNJC-UHFFFAOYSA-N;142.15;0.16;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_SP2";;;;;;;-0.24;;-3.24;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM428494;MM428494;CCC(C=CCCN)=NO;OLPHHPAEHSAPPP-UHFFFAOYSA-N;142.2;1.13;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nda_Nd";;;;;;;0.87;;-4.65;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM428495;MM428495;N=CNC1=CC(=CF)C=C1;QSEKJFTYOYNKPD-UHFFFAOYSA-N;138.15;1.49;;;;;DOPC;MDCG;27;1;"MARTINI bead: SC5_SNd";;;;;;;1.64;;-2.92;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM428496;MM428496;C=C1C(=O)CC2(C#N)CC12;WRJGCTJDWKYVKI-UHFFFAOYSA-N;133.15;1.05;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC5_SNa";;;;;;;1.64;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM428497;MM428497;N=CN1C=C(C(=N)N)CC1;RHZRPLUEJFYCMK-UHFFFAOYSA-N;138.17;0.12;;;;;DOPC;MDCG;27;1;"MARTINI bead: SP2_SP1";;;;;;;-1.06;;-8.13;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM428498;MM428498;C#CC(CO)C1OC1C#C;NFVPSRDFNUPHLG-UHFFFAOYSA-N;136.15;-0.37;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda_SNa";;;;;;;0.87;;-1.99;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM428499;MM428499;C=CCOCC1(C#N)CO1;FQGLFELEPBNJIX-UHFFFAOYSA-N;139.15;0.48;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_SP1";;;;;;;0.04;;-2.54;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM428500;MM428500;O=CNC1=CC(=CF)C=C1;IDZOCYKCVJQJKE-UHFFFAOYSA-N;139.13;1.04;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC5_SNda";;;;;;;1.64;;0.05;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM428501;MM428501;C=CC12CC(=C)C(=O)C1C2;YKLGSRSQFFFWEW-UHFFFAOYSA-N;134.18;1.71;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC4_SNa";;;;;;;2.2;;0.34;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM428502;MM428502;CNN=c1cc(N)n(C)o1;PIDLZYLYRFXNFX-UHFFFAOYSA-N;142.16;-0.76;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNd_SP1";;;;;;;0.04;;-2.63;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM428503;MM428503;C#CC12CN1CC(=O)C2C;NGPYUTJZNPBGSB-UHFFFAOYSA-N;135.17;-0.11;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP2_SNd";;;;;;;-0.24;;-3.16;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM428504;MM428504;C#CC(NC)C1OC1C#C;AWGFGGAVWFXPQK-UHFFFAOYSA-N;135.17;-0.39;;;;;DOPC;MDCG;27;1;"MARTINI bead: P2_SNa";;;;;;;-0.24;;-4.26;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM428505;MM428505;C=CC1(CONC=O)CO1;SFNFJOZAKWVYTP-UHFFFAOYSA-N;143.14;-0.38;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNa_P2";;;;;;;-0.24;;-3.24;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM428506;MM428506;N=CNC1=CC(=NN)C=C1;VVAMDBDOTVLHRY-UHFFFAOYSA-N;136.16;-0.05;;;;;DOPC;MDCG;27;1;"MARTINI bead: SNd_SNd";;;;;;;0.87;;-4.91;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM428507;MM428507;C=C1CC2(C=O)CC2C1=O;ABKJSLWHMVFGNT-UHFFFAOYSA-N;136.15;0.72;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNa_SNa";;;;;;;0.87;;-2.22;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM428508;MM428508;CCC(C=CCCF)=NO;MJQPUKDPZXBCEG-UHFFFAOYSA-N;145.18;2.14;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda_C4";;;;;;;2.2;;0.49;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM428509;MM428509;C#CC(OC)C1OC1C#C;HUNCCZCJNLRBKZ-UHFFFAOYSA-N;136.15;0.04;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_SNa";;;;;;;0.87;;-2.22;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM428510;MM428510;C=C(C)C1=CN(C=N)NC1;ROTVDZGZERZBCA-UHFFFAOYSA-N;137.19;0.87;;;;;DOPC;MDCG;27;1;"MARTINI bead: SP2_SP3";;;;;;;-2.2;;-7.26;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM428511;MM428511;C#CCCCC1(C=C)CC1;SZXOIJCWSAOOEF-UHFFFAOYSA-N;134.22;2.76;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC4_C3";;;;;;;3.9;;0.47;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM428512;MM428512;NN=C1CCCO1;WPJLPTFLFNQDON-UHFFFAOYSA-N;100.12;0.07;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNda_SN0";;;;;;;1.17;;-1.13;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM428513;MM428513;C=C1CC2(C#N)CC2C1=O;IKFDEQBSXAEZMQ-UHFFFAOYSA-N;133.15;1.05;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC5_SNa";;;;;;;1.64;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM428514;MM428514;CCCC=CC(CN)=NO;WFNPUKCEGNUGHV-UHFFFAOYSA-N;142.2;1.13;;;;;DOPC;MDCG;27;1;"MARTINI bead: C1_P3";;;;;;;0.94;;-1.12;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM428515;MM428515;C#CC(CC)N1CC1C#C;DYFAAJMWHJFOHL-UHFFFAOYSA-N;133.19;0.72;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nd_SP3";;;;;;;-1.1;;-3.93;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM428516;MM428516;C=C(C)C1=CN(C=O)NC1;OAEAAAODCXUFRJ-UHFFFAOYSA-N;138.17;0.42;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP2_SP2";;;;;;;-1.34;;-4.31;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM428517;MM428517;C#CCCCC1(C#N)CC1;DMDZVWQZYRXDQK-UHFFFAOYSA-N;133.19;2.09;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_SN0";;;;;;;1.94;;0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM428518;MM428518;O=CNC1=CC(=NO)C=C1;DEXAQDSALMSFOC-UHFFFAOYSA-N;138.13;0.02;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNda_SNda";;;;;;;0.87;;-2.07;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM428519;MM428519;C=CC12CC(=O)C(=O)C1C2;HDUUWBCPUAIPKV-UHFFFAOYSA-N;136.15;0.72;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC4_SNa";;;;;;;2.2;;0.34;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM428520;MM428520;NCC(C=CCCF)=NO;PMFHZAVACKPVBD-UHFFFAOYSA-N;146.17;0.69;;;;;DOPC;MDCG;27;1;"MARTINI bead: P2_Nda";;;;;;;-0.24;;-4.51;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM428521;MM428521;C#CC(CN)N1CC1C#C;NOHGIXQRADMKRQ-UHFFFAOYSA-N;134.18;-0.74;;;;;DOPC;MDCG;27;1;"MARTINI bead: P3_SP3";;;;;;;-3.07;;-7.76;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM428522;MM428522;C=C(C)C1=NN(C=N)CC1;RAAALFZGCOZVLV-UHFFFAOYSA-N;137.19;1.23;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP1_SP2";;;;;;;-1.06;;-3.82;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM428523;MM428523;C=NNC1=CC(=NO)C=C1;LSMRDFRZZKAYRV-UHFFFAOYSA-N;137.14;0.48;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNda_SNd";;;;;;;0.87;;-1.92;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM428524;MM428524;C#CCNCC1(C=C)CC1;KFCXSHUWTILNHS-UHFFFAOYSA-N;135.21;1.18;;;;;DOPC;MDCG;27;1;"MARTINI bead: SC4_P2";;;;;;;1.09;;-2.15;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM428525;MM428525;CCCC=CC(CF)=NN;XBPKSMJWBWAYEN-UHFFFAOYSA-N;144.19;1.63;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1_P1";;;;;;;2.08;;0.48;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM428526;MM428526;N#CC12CC(=O)C(=O)C1C2;PVBJULCKGUOTEJ-UHFFFAOYSA-N;135.12;0.06;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC5_SNa";;;;;;;1.64;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM428527;MM428527;C#CC(CF)N1CC1C#C;WGCDOINRSLCBRO-UHFFFAOYSA-N;137.16;0.28;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_SP3";;;;;;;-1.93;;-4.72;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM428528;MM428528;C=COC1=CC(=CC)C=C1;MQQAUHYHVKJVPY-UHFFFAOYSA-N;134.18;2.55;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC4_SC4";;;;;;;3.53;;0.53;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM428529;MM428529;C=C(C)C1=NN(C=O)CC1;WCFIOGDHWADFCR-UHFFFAOYSA-N;138.17;0.78;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP1_SP2";;;;;;;-1.06;;-3.82;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM428530;MM428530;C#CCNCC1(C=O)CC1;KBWZKPYGKBNQIA-UHFFFAOYSA-N;137.18;0.19;;;;;DOPC;MDCG;27;1;"MARTINI bead: SNa_P2";;;;;;;-0.24;;-4.68;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM428531;MM428531;CNCC=CC(CF)=NN;XQMZEWYSPGPOBC-UHFFFAOYSA-N;145.18;0.05;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_P1";;;;;;;0.04;;-5;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM428532;MM428532;C=CC12CC1C(=C)C(=N)N2;GGDYIYWWMRKXAS-UHFFFAOYSA-N;134.18;1.07;;;;;DOPC;MDCG;27;1;"MARTINI bead: SC4_SNd";;;;;;;2.2;;-2.99;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM428533;MM428533;C#CC1CC1C(C=C)C=C;YRKDGJBYKYHUCZ-UHFFFAOYSA-N;132.21;2.24;;;;;DOPC;MDCG;27;0;"MARTINI bead: C2_SC5";;;;;;;3.6;;0.34;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM428534;MM428534;C=COC1=CC(=CF)C=C1;KLZXQKFIZOVDJS-UHFFFAOYSA-N;138.14;2.45;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC5_SC4";;;;;;;2.97;;0.45;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM428535;MM428535;C#CC1C=C(C(=C)C)CC1;CMWKIEZQJBGBRB-UHFFFAOYSA-N;132.21;2.53;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC1_SC5";;;;;;;3.68;;0.46;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM428536;MM428536;C#CCOCC1(C=C)CC1;CTMXLTXYIFBDIL-UHFFFAOYSA-N;136.19;1.6;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC4_Na";;;;;;;2.2;;0.34;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM428537;MM428537;CCC(C=CCOC)=NN;LLWRCRBMMDFRMA-UHFFFAOYSA-N;142.2;0.91;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_Na";;;;;;;1.64;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM428538;MM428538;C#CC1CC1C(C=C)C=O;MHSDXHMHNCSAQG-UHFFFAOYSA-N;134.18;1.26;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_SC5";;;;;;;1.64;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM428539;MM428539;C=C1C(=N)NC2(C#N)CC12;VYTROXVFAODWBU-UHFFFAOYSA-N;133.15;0.41;;;;;DOPC;MDCG;27;1;"MARTINI bead: SNd_SP1";;;;;;;0.04;;-4.48;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM428540;MM428540;C#CC1C=C(C(C)=O)CC1;VEIWIBDZIXUWIL-UHFFFAOYSA-N;134.18;1.55;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC5_SC5";;;;;;;2.41;;0.64;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM428541;MM428541;C=COC1=CC(=NN)C=C1;QINFMPLGDFFBMB-UHFFFAOYSA-N;136.15;0.91;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNd_SC4";;;;;;;2.2;;0.32;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM428542;MM428542;C#CCOCC1(C=O)CC1;CGBKUHWEHIXGAM-UHFFFAOYSA-N;138.17;0.62;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNa_Na";;;;;;;0.87;;-2.22;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM428543;MM428543;CCC(C=CCOC)=NO;KBZXWCKOMOXJOP-UHFFFAOYSA-N;143.19;1.43;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda_Na";;;;;;;0.87;;-1.99;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM428544;MM428544;C=CC12CC1C(=C)C(=O)N2;QBKYOYHDSYBDNW-UHFFFAOYSA-N;135.17;0.62;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC4_SP1";;;;;;;1.37;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM428545;MM428545;C#CC1CC1C(C#N)C=O;PNVMPYNAPFMGAC-UHFFFAOYSA-N;133.15;0.59;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_SC5";;;;;;;1.64;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM428546;MM428546;C#CC1C=C(C(=N)N)CC1;STZCRDXQABNXIN-UHFFFAOYSA-N;134.18;0.89;;;;;DOPC;MDCG;27;1;"MARTINI bead: SNd_SC5";;;;;;;1.64;;-4.65;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM428547;MM428547;C#CCCOC1(C=C)CC1;BAEAOMZPADQFRV-UHFFFAOYSA-N;136.19;1.74;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNa_C5";;;;;;;1.64;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM428548;MM428548;C=COC1=CC(=NO)C=C1;NOHFPVQZXAAXCA-UHFFFAOYSA-N;137.14;1.43;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNda_SC4";;;;;;;2.2;;0.5;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM428549;MM428549;COCC=CC(CN)=NO;SZKSQPKJWPOADO-UHFFFAOYSA-N;144.17;-0.02;;;;;DOPC;MDCG;27;1;"MARTINI bead: Na_P2";;;;;;;-0.24;;-4.46;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM428550;MM428550;C=CC12CC1C(=O)C(=N)N2;NLXATHNAHKIUBZ-UHFFFAOYSA-N;136.15;0.08;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNd_SP2";;;;;;;-0.24;;-3.16;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM428551;MM428551;C#CC1CC1C(C#N)C#N;SDNSQKJUEJCUEF-UHFFFAOYSA-N;130.15;0.92;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC5_P2";;;;;;;0.54;;-1.09;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM428552;MM428552;C#CC1C=C(C(=C)C)CN1;QJIWTVDTSVCXKF-UHFFFAOYSA-N;133.19;1.09;;;;;DOPC;MDCG;27;1;"MARTINI bead: SN0_SP1";;;;;;;0.34;;-3.61;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM428553;MM428553;C#CCCOC1(C=O)CC1;CRKWHKWDLYDAGR-UHFFFAOYSA-N;138.17;0.76;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP2_C5";;;;;;;0.54;;-1.09;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM428554;MM428554;C=CCC1=CC(=NC)N=C1;KWQJGSMYYZZWMG-UHFFFAOYSA-N;134.18;1.6;;;;;DOPC;MDCG;27;0;"MARTINI bead: SN0_SC4";;;;;;;2.5;;0.45;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM428555;MM428555;CCN=CC=C(CC)NN;MPWBPKPNQAYDMZ-UHFFFAOYSA-N;141.22;0.83;;;;;DOPC;MDCG;27;1;"MARTINI bead: C5_Nd";;;;;;;1.64;;-3.81;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM428556;MM428556;C=NN(C=O)C(=N)C=NN;BYMZFLMQIZONQL-UHFFFAOYSA-N;141.13;-1.02;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_P2";;;;;;;-1.06;;-3.82;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM428557;MM428557;C#CC1C=C(C(=C)C)CO1;MTAVHWAHLYQPSE-UHFFFAOYSA-N;134.18;1.52;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC5_SNa";;;;;;;1.64;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM428558;MM428558;C#CC1CC1N(C=C)C=N;VJIFJDIJWDRWDL-UHFFFAOYSA-N;134.18;1.06;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1_SC5";;;;;;;0.81;;-3.75;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM428559;MM428559;C#CCCOC1(C#N)CC1;VKKZSTFQMZBAOO-UHFFFAOYSA-N;135.17;1.08;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_SP2";;;;;;;0.54;;-1.09;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM428560;MM428560;NN=C1CC=CO1;VREGAGPZLWTVGI-UHFFFAOYSA-N;98.11;0.19;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNda_SN0";;;;;;;1.17;;-1.13;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM428561;MM428561;CCN=CC=C(CC)NO;CVLLGIPBLQYVEW-UHFFFAOYSA-N;142.2;1.35;;;;;DOPC;MDCG;27;1;"MARTINI bead: C5_Nda";;;;;;;1.64;;-3.47;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM428562;MM428562;C=CC12CC1C(=O)C(=O)N2;YIZYZODBRCDSRJ-UHFFFAOYSA-N;137.14;-0.37;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNd_SP2";;;;;;;-0.24;;-3.16;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM428563;MM428563;CC=C1C=C(C(C)C)CC1;BVWKSMFMSNEFPF-UHFFFAOYSA-N;136.24;3.31;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC3_SC1";;;;;;;4.61;;0.31;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM428564;MM428564;C#CC1CC1N(C=N)C=N;WBUVKSQFQKGIPX-UHFFFAOYSA-N;135.17;0.52;;;;;DOPC;MDCG;27;1;"MARTINI bead: P2_SC5";;;;;;;0.54;;-2.47;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM428565;MM428565;CN=C1C=C(CC#N)C=N1;POXONCOFMJHFFT-UHFFFAOYSA-N;133.15;0.94;;;;;DOPC;MDCG;27;0;"MARTINI bead: SN0_SN0";;;;;;;1.47;;-0.05;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM428566;MM428566;C#CCCCC1(C#N)CN1;HKUTXGDQXYCMMO-UHFFFAOYSA-N;134.18;0.66;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_SP1";;;;;;;0.81;;-0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM428567;MM428567;CCOC=CC(CC)=NN;NAXVPFOOFONRIZ-UHFFFAOYSA-N;142.2;1.26;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_C5";;;;;;;1.64;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM428568;MM428568;C=CC12CC1C(=C)C(=C)O2;DKSROBRDDQXLNE-UHFFFAOYSA-N;134.18;2.03;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNa_SC5";;;;;;;1.64;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM428569;MM428569;CC(C)C1=CC(=CF)CC1;DDGIBIINCOPRDI-UHFFFAOYSA-N;140.2;3.22;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC1_SC4";;;;;;;4.24;;0.42;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM428570;MM428570;C#CC1CC1N(C=N)C=O;HHSPOKOIAKQORA-UHFFFAOYSA-N;136.15;0.07;;;;;DOPC;MDCG;27;0;"MARTINI bead: P3_SC5";;;;;;;-0.33;;-2.01;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM428571;MM428571;C=CC(C)(C)C(C)O;NCWABCJVWPXYGL-UHFFFAOYSA-N;114.19;1.58;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_C2";;;;;;;2;;0.29;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM428572;MM428572;C#CCNCC1(C=C)CN1;DSXXKMKDNQQPPV-UHFFFAOYSA-N;136.2;-0.26;;;;;DOPC;MDCG;27;1;"MARTINI bead: SP1_P2";;;;;;;-1.06;;-4.84;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM428573;MM428573;CCOC=CC(CC)=NO;ATDGBJYKOGSRKG-UHFFFAOYSA-N;143.19;1.78;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_Nda";;;;;;;1.64;;0.05;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM428574;MM428574;C=C1OC2(C#N)CC2C1=C;JLSDRHKIDMGSBU-UHFFFAOYSA-N;133.15;1.37;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNa_SC5";;;;;;;1.64;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM428575;MM428575;CC(N)C1=CC(=CF)CC1;UVYLOGIOIKVDFQ-UHFFFAOYSA-N;141.19;1.91;;;;;DOPC;MDCG;27;1;"MARTINI bead: SC5_SC4";;;;;;;2.97;;0.21;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM428576;MM428576;C#CCCCC1(C=C)CO1;ZOQGUFJIBCZNJM-UHFFFAOYSA-N;136.19;1.74;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNa_C3";;;;;;;2.57;;0.45;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM428577;MM428577;C=CCc1c[nH]c(N=O)c1;IMLNIMAFJRZPMH-UHFFFAOYSA-N;136.15;2.14;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC5_SNd";;;;;;;1.64;;0.02;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM428578;MM428578;Cn1nc(N)oc(=O)c1=N;UBRLEGMDBXTMCQ-UHFFFAOYSA-N;142.12;-1.57;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP3_SP3";;;;;;;-3.07;;-6.15;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM428579;MM428579;C#CC1CC1N(C=N)N=C;WZEYCHBPRGRNRP-UHFFFAOYSA-N;135.17;0.53;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_SC5";;;;;;;0.54;;-1.09;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM428580;MM428580;C=CC12CC1C(=O)C(=C)O2;NRCCJEFCEQUPGQ-UHFFFAOYSA-N;136.15;1.04;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNa_SNa";;;;;;;0.87;;-2.22;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM428581;MM428581;C#CCCCC1(C=O)CO1;IXCCUDHKGYMISN-UHFFFAOYSA-N;138.17;0.76;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP1_C5";;;;;;;0.81;;-0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM428582;MM428582;O=CCc1c[nH]c(N=O)c1;WRRHLUJCANHYBN-UHFFFAOYSA-N;138.13;1.15;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNa_SNd";;;;;;;0.87;;-1.88;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM428583;MM428583;C#CC12CC(=C)C(=O)C1N2;WRGDDSRGKHGFBV-UHFFFAOYSA-N;133.15;-0.14;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNd_SNa";;;;;;;0.87;;-1.88;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM428584;MM428584;CCCC=CC(=NC)NC;QKGSGCYAHQHNNN-UHFFFAOYSA-N;140.23;1.59;;;;;DOPC;MDCG;27;1;"MARTINI bead: C1_P1";;;;;;;2.08;;-2.74;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM428585;MM428585;C#CC1CC1N(C=O)N=C;BNFRCMSITLFMBK-UHFFFAOYSA-N;136.15;0.08;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_SC5";;;;;;;0.54;;-1.09;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM428586;MM428586;C=C1OC2(C#N)CC2C1=O;LIFFZIYJMODCRN-UHFFFAOYSA-N;135.12;0.38;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNa_SNa";;;;;;;0.87;;-2.22;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM428587;MM428587;C#CCCCC1(C#N)CO1;YMKBXEKZGWTNPB-UHFFFAOYSA-N;135.17;1.08;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_SNa";;;;;;;1.64;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM428588;MM428588;N#CCc1c[nH]c(N=O)c1;ZGZMASUCPPIMHJ-UHFFFAOYSA-N;135.13;1.48;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNd_SN0";;;;;;;1.17;;-1.04;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM428589;MM428589;CCCC=CC(=NN)NC;WNTOEEKXCQSHTF-UHFFFAOYSA-N;141.22;0.83;;;;;DOPC;MDCG;27;1;"MARTINI bead: C1_P3";;;;;;;0.94;;-1.98;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM428590;MM428590;C#CC1NC1C(C=C)C=C;HQNPELGOBDUMKK-UHFFFAOYSA-N;133.19;0.95;;;;;DOPC;MDCG;27;0;"MARTINI bead: C2_SP3";;;;;;;0.86;;-0.29;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM428591;MM428591;Cn1ccoc(=NN)c1=O;TXZIGCJKHMHVFH-UHFFFAOYSA-N;141.13;-1.25;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP1_SP2";;;;;;;-1.06;;-3.82;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM428592;MM428592;C=CC12CC(=C)C(=C)C1N2;ZREQOCOUNGSSCI-UHFFFAOYSA-N;133.19;1.4;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNd_SC4";;;;;;;2.2;;0.32;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM428593;MM428593;C#CCNCC1(C=C)CO1;NXTVWJOOIUEIHB-UHFFFAOYSA-N;137.18;0.16;;;;;DOPC;MDCG;27;1;"MARTINI bead: SNa_P2";;;;;;;-0.24;;-4.37;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM428594;MM428594;CN=C(C=CCCN)NO;JLMLHHPDLLTCCZ-UHFFFAOYSA-N;143.19;-0.1;;;;;DOPC;MDCG;27;1;"MARTINI bead: P2_Nd";;;;;;;-0.24;;-5.66;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM428595;MM428595;CN=C1C=C(NC=N)C=N1;BRUIPXBVDSYADY-UHFFFAOYSA-N;136.16;0.18;;;;;DOPC;MDCG;27;1;"MARTINI bead: SN0_SP1";;;;;;;0.34;;-3.32;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM428596;MM428596;NN=c1occn(N)c1=O;IKFJZLRHPBACDR-UHFFFAOYSA-N;142.12;-2.07;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP2_SP2";;;;;;;-1.34;;-4.31;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM428597;MM428597;C#CC1NC1C(C#N)C=C;BFBNCGLUNJODFD-UHFFFAOYSA-N;132.17;0.29;;;;;DOPC;MDCG;27;0;"MARTINI bead: N0_SP3";;;;;;;-0.8;;-2.99;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM428598;MM428598;C=C1CC2(C#N)NC2C1=C;OCIWJDDHQOLLPT-UHFFFAOYSA-N;132.17;0.74;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP1_SC4";;;;;;;1.37;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM428599;MM428599;C#CCOCC1(C=C)CO1;HPZQYQYROPARGR-UHFFFAOYSA-N;138.17;0.59;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNa_Na";;;;;;;0.87;;-2.22;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM428600;MM428600;CC(C#N)CNN=CCF;BTVINGOWWVGSQB-UHFFFAOYSA-N;143.17;0.69;;;;;DOPC;MDCG;27;0;"MARTINI bead: N0_P1";;;;;;;0.34;;-1.53;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM428601;MM428601;CC(=NN)OC(C)C;PHRZTIXGQLFJGS-UHFFFAOYSA-N;116.16;0.7;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_Nd";;;;;;;0.87;;-1.88;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM428602;MM428602;NC(N)=CC(=O)CCF;CYKTVTHUIBGLTQ-UHFFFAOYSA-N;132.14;-0.33;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_P1";;;;;;;-1.06;;-3.82;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM428603;MM428603;CC(N)C1=CC(=NO)CC1;OFJWBYZPGOUJKU-UHFFFAOYSA-N;140.19;0.88;;;;;DOPC;MDCG;27;1;"MARTINI bead: SC5_SNda";;;;;;;1.64;;-2.31;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM428604;MM428604;C#CCOCC1(C=O)CO1;NIFHVMZRTAODOL-UHFFFAOYSA-N;140.14;-0.4;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP2_Na";;;;;;;-0.24;;-3.24;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM428605;MM428605;CCc1[nH]cc(NC)c1N;PSSAAGCOFPBYAN-UHFFFAOYSA-N;139.2;1.2;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC5_SNd";;;;;;;1.64;;0.02;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM428606;MM428606;OCCC=CC(=NO)NO;MEYGPJHTSVFGJO-UHFFFAOYSA-N;146.15;-0.31;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda_P4";;;;;;;-1.19;;-4.91;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM428607;MM428607;Cn1cnoc(=NN)c1=N;PSYUVIZZCZNOFY-UHFFFAOYSA-N;141.13;-1.73;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP2_SP3";;;;;;;-2.2;;-5.19;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM428608;MM428608;C=C(C)OC(C)=NN;ASGKBEPPWXGQEP-UHFFFAOYSA-N;114.15;0.83;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_Nd";;;;;;;0.87;;-1.88;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM428609;MM428609;C#CC1OC1C(C=C)C=C;IZFNFGTZZASNSX-UHFFFAOYSA-N;134.18;1.38;;;;;DOPC;MDCG;27;0;"MARTINI bead: C2_SNa";;;;;;;2.83;;0.35;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM428610;MM428610;CC=NN=CNCCC#N;OSSLMKMXLSXZCK-UHFFFAOYSA-N;138.17;0.52;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_P2";;;;;;;0.54;;-1.09;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM428611;MM428611;C#CC1(CCCCC)CC1;LBUYQYMWSVWWDX-UHFFFAOYSA-N;136.24;2.98;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1_SC5";;;;;;;3.68;;0.46;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM428612;MM428612;CNCC=CC(=NN)NN;ZYQVTTNBROLTJW-UHFFFAOYSA-N;143.19;-1.5;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_P3";;;;;;;-1.1;;-5.72;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM428613;MM428613;CC(O)C1=CC(=NO)CC1;PWHVOBCUXFHUHX-UHFFFAOYSA-N;141.17;0.92;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC5_SNda";;;;;;;1.64;;0.05;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM428614;MM428614;C=COC1=CC(=NC)N=C1;LHBKLDGANXWGOH-UHFFFAOYSA-N;136.15;1.14;;;;;DOPC;MDCG;27;0;"MARTINI bead: SN0_SC5";;;;;;;1.94;;0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM428615;MM428615;C#CC1OC1C(C=C)C=O;IPURDSAXFNZSRY-UHFFFAOYSA-N;136.15;0.39;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_SNa";;;;;;;0.87;;-2.22;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM428616;MM428616;C=NN=CC=NN;PLKCFHNLHSRVTB-UHFFFAOYSA-N;98.11;-0.38;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_N0";;;;;;;0.34;;-1.53;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM428617;MM428617;COC(=NN)OCCF;CTVWLOQGDHZREJ-UHFFFAOYSA-N;136.13;-0.15;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_Na";;;;;;;0.04;;-2.54;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM428618;MM428618;CNCC=CC(=NO)NN;KABVMWCFSFSAPB-UHFFFAOYSA-N;144.18;-0.99;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_P4";;;;;;;-1.19;;-6.61;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM428619;MM428619;N=c1c(=NN)oncn1N;VYBLUFZPUVBADL-UHFFFAOYSA-N;142.12;-2.56;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP3_SP3";;;;;;;-3.07;;-6.15;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM428620;MM428620;CC(=O)OC(C)=NN;CXUUALGWNQFGLN-UHFFFAOYSA-N;116.12;-0.16;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_Nd";;;;;;;0.04;;-2.63;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM428621;MM428621;C#CC1OC1C(C#N)C=C;LMHUYSTWUVNOCP-UHFFFAOYSA-N;133.15;0.71;;;;;DOPC;MDCG;27;0;"MARTINI bead: N0_SNa";;;;;;;1.17;;-1.18;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM428622;MM428622;C#CC1(CCCCF)CC1;BKSQKQWCUYOSCI-UHFFFAOYSA-N;140.2;2.54;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4_SC5";;;;;;;2.97;;0.45;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM428623;MM428623;C=C(F)C(F)C=NN;SZRIHMVTROJXJY-UHFFFAOYSA-N;120.1;0.75;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_C5";;;;;;;0.81;;-0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM428624;MM428624;CN=C(C=CCOC)NC;XWWVKOVNPSCFCV-UHFFFAOYSA-N;142.2;0.44;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_Na";;;;;;;0.87;;-6.07;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM428625;MM428625;CC=C1C=C(C(C)C)OC1;QLJQEHZEYXQRJN-UHFFFAOYSA-N;138.21;2.5;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC5_SC5";;;;;;;2.41;;0.64;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM428626;MM428626;C#CC1CN1C(C=C)C=C;XAYHCIRDMMNQTK-UHFFFAOYSA-N;133.19;1.04;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nd_SP3";;;;;;;-1.1;;-3.93;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM428627;MM428627;C=COc1c[nH]c(N=O)c1;XNNURWAKZLWRKZ-UHFFFAOYSA-N;138.13;1.93;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNa_SNd";;;;;;;0.87;;-1.88;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM428628;MM428628;Cc1nc(N)n(N)n1;KKDWPZWDUQTBPQ-UHFFFAOYSA-N;113.12;-1.12;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP1_SP2";;;;;;;-1.06;;-3.82;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM428629;MM428629;C#CC1(CCCOC)CC1;NPOTXBCOKIMVJP-UHFFFAOYSA-N;138.21;1.83;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_SC5";;;;;;;1.64;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM428630;MM428630;CNN=CONC(=N)OC;QVYNHSVEMORJHB-UHFFFAOYSA-N;146.15;-0.75;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_P1";;;;;;;-1.06;;-3.82;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM428631;MM428631;C=C(C)C1=CC(=CC)CC1;MRJLHAREYIIQHC-UHFFFAOYSA-N;134.22;3.23;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC3_SC1";;;;;;;4.61;;0.31;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM428632;MM428632;CC1(O)CCC2(C)CC12;WRMCQASCOUFUPF-UHFFFAOYSA-N;126.2;1.56;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNda_SC4";;;;;;;2.2;;0.49;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM428633;MM428633;C=CCc1cc(N=O)c[nH]1;BRJFFYXYIRYCTL-UHFFFAOYSA-N;136.15;2.14;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC5_SN0";;;;;;;1.94;;0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM428634;MM428634;N#CC12CC(=O)C(=O)C1N2;BMQXRZPISPRPEN-UHFFFAOYSA-N;136.11;-1.24;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP1_SNa";;;;;;;0.04;;-2.54;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM428635;MM428635;C#CC1(CCNCC)CC1;SQIGKWMITJAURW-UHFFFAOYSA-N;137.23;1.4;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_SC5";;;;;;;1.64;;-3.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM428636;MM428636;C=C(C)C1=CC(=CF)CC1;YGVQVPQTJGTJOO-UHFFFAOYSA-N;138.19;3.14;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC1_SC4";;;;;;;4.24;;0.42;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM428637;MM428637;COCC=CC(=NO)NO;MFLZTSIASYUDAQ-UHFFFAOYSA-N;146.15;-0.04;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_P2";;;;;;;-0.24;;-3.24;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM428638;MM428638;N#CCc1cc(N=O)c[nH]1;MTRTYJCPFRKUHB-UHFFFAOYSA-N;135.13;1.48;;;;;DOPC;MDCG;27;0;"MARTINI bead: SN0_SNd";;;;;;;1.17;;-1.04;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM428639;MM428639;C#CC1CN1C(C#N)C=C;KNWUSIJLWSWRBY-UHFFFAOYSA-N;132.17;0.38;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_SP3";;;;;;;-1.93;;-4.72;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM428640;MM428640;C=CC12CC(=C)C(=C)C1O2;DLTDJOIEMIASDB-UHFFFAOYSA-N;134.18;1.83;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNa_SC4";;;;;;;2.2;;0.34;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM428641;MM428641;CC=C1C=C(C(=N)N)CC1;FVAZZSACWWEHQF-UHFFFAOYSA-N;136.2;1.59;;;;;DOPC;MDCG;27;1;"MARTINI bead: SC3_SNd";;;;;;;2.57;;-3.32;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM428642;MM428642;C#CC1(CCOCC)CC1;KHKNIMMLFHWAJZ-UHFFFAOYSA-N;138.21;1.83;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_SC5";;;;;;;2.41;;0.64;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM428643;MM428643;C#CCC(=NN)OC=NN;NVIQCWMZADYMOJ-UHFFFAOYSA-N;140.15;-0.8;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_N0";;;;;;;0.06;;-2.21;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM428644;MM428644;N=CNc1cc(N=N)c[nH]1;AACFAIHOMPWAIV-UHFFFAOYSA-N;137.15;1.7;;;;;DOPC;MDCG;27;1;"MARTINI bead: SP1_SP1";;;;;;;-0.79;;-5.27;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM428645;MM428645;C#CC1CN1C(C#N)C#N;TVUHSJGQKDVORR-UHFFFAOYSA-N;131.14;-0.28;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP3_P2";;;;;;;-2.2;;-5.19;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM428646;MM428646;C#CC1(CNCCC)CC1;IYPRSQVXHSAINJ-UHFFFAOYSA-N;137.23;1.4;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_SC5";;;;;;;1.64;;-2.87;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM428647;MM428647;C=C1CC2(C=O)OC2C1=C;MZCRSZGTFFNGGH-UHFFFAOYSA-N;136.15;0.84;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNa_SC4";;;;;;;2.2;;0.34;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM428648;MM428648;CNN=C(OC)OCCF;ZYXGYNTWONHUJY-UHFFFAOYSA-N;150.15;0.11;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_Na";;;;;;;0.04;;-2.54;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM428649;MM428649;Cn1nnoc(=NN)c1=N;UUBWIMKSJLAALG-UHFFFAOYSA-N;142.12;-2.34;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP2_SP2";;;;;;;-1.34;;-4.31;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM428650;MM428650;N=CNc1cc(N=O)c[nH]1;XCADUOKXVGHSGJ-UHFFFAOYSA-N;138.13;1.43;;;;;DOPC;MDCG;27;1;"MARTINI bead: SP1_SN0";;;;;;;0.34;;-3.49;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM428651;MM428651;C#CC1CN1N(C=C)C=O;NPEWJIKUYSNKQZ-UHFFFAOYSA-N;136.15;-0.18;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_SP3";;;;;;;-2.2;;-5.19;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM428652;MM428652;C=C1CC2(C#N)OC2C1=C;YVQRIRAMFVFNSG-UHFFFAOYSA-N;133.15;1.16;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNa_SC4";;;;;;;2.2;;0.34;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM428653;MM428653;CCOC=CC(=NC)NC;PKRDPKHFONPIOF-UHFFFAOYSA-N;142.2;0.78;;;;;DOPC;MDCG;27;1;"MARTINI bead: Na_Nd";;;;;;;0.87;;-5.14;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM428654;MM428654;N=c1c(=NN)onnn1N;HSBLAYGJEFBEDI-UHFFFAOYSA-N;143.11;-3.16;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP2_SP2";;;;;;;-1.34;;-4.31;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM428655;MM428655;COCOC(C)=NN;YJWZZCRMMKIXEW-UHFFFAOYSA-N;118.14;-0.1;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_Nd";;;;;;;-0.24;;-3.16;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM428656;MM428656;C#CC1(CNCCN)CC1;ONMDDAQUIVCCCH-UHFFFAOYSA-N;138.21;-0.05;;;;;DOPC;MDCG;27;1;"MARTINI bead: P3_SC5";;;;;;;-0.33;;-4.5;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM428657;MM428657;C#CC(C=O)C1CC1C#C;FYGVYGNHMRDRDQ-UHFFFAOYSA-N;132.16;0.7;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_SC5";;;;;;;1.64;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM428658;MM428658;CC=C(C=CCCC)OC;SNRBUUAHEGDHHN-UHFFFAOYSA-N;140.23;2.89;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1_C5";;;;;;;3.68;;0.46;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM428659;MM428659;C=CC12CC(=C)C(=O)C1O2;DOYWJJXERSWITB-UHFFFAOYSA-N;136.15;0.84;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNa_SNa";;;;;;;0.87;;-2.22;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM428660;MM428660;CC(=O)C1=CC(=NO)CC1;RVCADWJUTIRIFG-UHFFFAOYSA-N;139.15;1.13;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC5_SNda";;;;;;;1.64;;0.05;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM428661;MM428661;C=COc1cc(N=N)c[nH]1;PJJDITGFUNEBKS-UHFFFAOYSA-N;137.14;2.2;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNda_SP1";;;;;;;0.04;;-2.73;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM428662;MM428662;C#CC1(CNCCO)CC1;JQAUTJQZLISSCC-UHFFFAOYSA-N;139.2;-0.02;;;;;DOPC;MDCG;27;1;"MARTINI bead: P2_SC5";;;;;;;0.54;;-3.33;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM428663;MM428663;C=NNC=NCC(=C)F;HTFGUHXWJRXSDR-UHFFFAOYSA-N;129.14;0.7;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_P2";;;;;;;0.54;;-1.09;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM428664;MM428664;C#CC(=NNC)OC=CF;LMAHOZNJDVALEU-UHFFFAOYSA-N;142.13;0.61;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_C5";;;;;;;0.54;;-1.09;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM428665;MM428665;C=COc1cc(N=O)c[nH]1;DXDTUMJHRGFIFH-UHFFFAOYSA-N;138.13;1.93;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNda_SN0";;;;;;;1.17;;-1.13;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM428666;MM428666;N=C(N)C1=CC(=NN)CC1;SBZKIEAPAIILCU-UHFFFAOYSA-N;138.17;-0.04;;;;;DOPC;MDCG;27;1;"MARTINI bead: SNd_SNd";;;;;;;0.87;;-6.46;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM428667;MM428667;C=C1CC2(C=O)OC2C1=O;PCHOKQLBTHOTSN-UHFFFAOYSA-N;138.12;-0.15;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNa_SNa";;;;;;;0.87;;-2.22;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM428668;MM428668;C#CC1(COCCC)CC1;WXFCRPUNKPIWAZ-UHFFFAOYSA-N;138.21;1.83;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_SC5";;;;;;;1.64;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM428669;MM428669;C#CC(C=C)C1OC1C#C;ILMORKWLGLRMGW-UHFFFAOYSA-N;132.16;0.82;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_SNa";;;;;;;1.64;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM428670;MM428670;CCCC=CC(=CF)OC;JRJVBHKEFBMVDU-UHFFFAOYSA-N;144.19;2.8;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1_N0";;;;;;;3.21;;0.46;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM428671;MM428671;C=C1CC2(C#N)OC2C1=O;HSQUKDSXHHIIRT-UHFFFAOYSA-N;135.12;0.18;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNa_SNa";;;;;;;0.87;;-2.22;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM428672;MM428672;N=C(N)C1=CC(=NO)CC1;OVMIFRVDDIUWQB-UHFFFAOYSA-N;139.16;0.47;;;;;DOPC;MDCG;27;1;"MARTINI bead: SNd_SNda";;;;;;;0.87;;-7.58;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM428673;MM428673;C=CCC1=NC(=NC)C=C1;UYQCZAKHXDXRJV-UHFFFAOYSA-N;134.18;1.6;;;;;DOPC;MDCG;27;0;"MARTINI bead: SN0_SC4";;;;;;;2.5;;0.45;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM428674;MM428674;C#CC1(COCCN)CC1;BNBQWQIWLCQWLV-UHFFFAOYSA-N;139.2;0.38;;;;;DOPC;MDCG;27;1;"MARTINI bead: P2_SC5";;;;;;;0.54;;-3.12;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM428675;MM428675;C#CC(C=O)C1OC1C#C;CZJJQCBLPFMOGC-UHFFFAOYSA-N;134.13;-0.16;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_SNa";;;;;;;0.87;;-2.22;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM428676;MM428676;COC(C=CCCN)=CF;SZAAGANSLDQRFO-UHFFFAOYSA-N;145.18;1.35;;;;;DOPC;MDCG;27;1;"MARTINI bead: N0_Nd";;;;;;;1.17;;-3.8;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM428677;MM428677;C#CC1(COCCO)CC1;HJIQHGVNNCONSY-UHFFFAOYSA-N;140.18;0.41;;;;;DOPC;MDCG;27;0;"MARTINI bead: P3_SC5";;;;;;;-0.33;;-2.01;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM428678;MM428678;C=C(C)C1=CC(=NC)NC1;VVGJDONKIBNQJP-UHFFFAOYSA-N;136.2;1.12;;;;;DOPC;MDCG;27;1;"MARTINI bead: SNd_SN0";;;;;;;1.17;;-4;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM428679;MM428679;C#CC12CC(=C)C(=C)C1C2;MDOSTYOIQSDYOM-UHFFFAOYSA-N;130.19;2.14;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC4_SC4";;;;;;;3.53;;0.53;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM428680;MM428680;C=CCOC(C)=NN;VZRBBRAKBXVHCH-UHFFFAOYSA-N;114.15;0.48;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_C4";;;;;;;1.09;;-0.38;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM428681;MM428681;NN=Cc1coc(N)c1;LHGNGUOMQNAPCP-UHFFFAOYSA-N;125.13;0.15;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNd_SNd";;;;;;;0.87;;-2.11;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM428682;MM428682;C#CC1(COCOC)CC1;LBXYAICYIVAPHT-UHFFFAOYSA-N;140.18;1.02;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_SC5";;;;;;;0.81;;-0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM428683;MM428683;CC=C(C=CCNC)OC;NVMKKEUISDUNLN-UHFFFAOYSA-N;141.21;1.31;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_C5";;;;;;;1.64;;-2.27;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM428684;MM428684;NN=c1nccc(F)n1N;PECKMCJEJMWKCY-UHFFFAOYSA-N;143.13;-1.49;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP2_SNa";;;;;;;-0.24;;-3.24;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM428685;MM428685;C#CC12CC(=O)C(=C)C1C2;ZQDPOJNFWWHOKW-UHFFFAOYSA-N;132.16;1.15;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC4_SNa";;;;;;;2.2;;0.34;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM428686;MM428686;CC=COC(C)=NN;IYURTCQGFNETHU-UHFFFAOYSA-N;114.15;0.83;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4_P2";;;;;;;1.09;;-0.38;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM428687;MM428687;C#CC(C#C)N1CC1C#C;OVHIOQDJHQXGDB-UHFFFAOYSA-N;129.16;-0.06;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP3_Nd";;;;;;;-1.1;;-3.93;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM428688;MM428688;C=C(C)C1=CC(=CC)OC1;HWQFBYKJMQZXHG-UHFFFAOYSA-N;136.19;2.42;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC5_SC5";;;;;;;2.41;;0.64;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM428689;MM428689;CNCC=CC(=CF)OC;KIRWDRWYFBRKNR-UHFFFAOYSA-N;145.18;1.22;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_N0";;;;;;;1.17;;-3.41;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM428690;MM428690;C#CC1(NCCCC)CC1;YJOZXJHBXVEKAE-UHFFFAOYSA-N;137.23;1.54;;;;;DOPC;MDCG;27;1;"MARTINI bead: C1_SNd";;;;;;;2.91;;0.25;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM428691;MM428691;CC=C(CC)C1CC1CC;DBULEJXHCZQBRI-UHFFFAOYSA-N;138.25;3.39;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC3_C1";;;;;;;4.61;;0.31;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM428692;MM428692;C#CC12CC(=C)C(=O)C1C2;QGFPCJPJDHOJFY-UHFFFAOYSA-N;132.16;1.15;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC4_SNa";;;;;;;2.2;;0.34;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM428693;MM428693;CC(=NN)OC=CF;LELSSLUJWFMYDA-UHFFFAOYSA-N;118.11;0.74;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nd_Na";;;;;;;0.87;;-1.88;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM428694;MM428694;Cn1c(F)cnnc1=NN;VRXDBFCNKBUFCO-UHFFFAOYSA-N;143.13;-1.27;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP2_SP2";;;;;;;-1.34;;-4.31;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM428695;MM428695;CC=C(C=COCC)OC;ZVBIOMWBVHHKOQ-UHFFFAOYSA-N;142.2;2.09;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_C3";;;;;;;2.57;;0.45;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM428696;MM428696;C#CC1(NCCCN)CC1;TVDKFSGOQYLVHJ-UHFFFAOYSA-N;138.21;0.09;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_SNd";;;;;;;0.87;;-4.61;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM428697;MM428697;C#CC12CC(=O)C(=O)C1C2;BIKKJTTXUDWGGU-UHFFFAOYSA-N;134.13;0.17;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC4_SNa";;;;;;;2.2;;0.34;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM428698;MM428698;CCC(=CF)C1CC1CC;TUCGMBXIZDHTDS-UHFFFAOYSA-N;142.22;3.3;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC3_C2";;;;;;;4.53;;0.32;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM428699;MM428699;C=CCc1ccc(N=O)[nH]1;PWWSXUAVPJAEKU-UHFFFAOYSA-N;136.15;2.14;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC5_SNd";;;;;;;1.64;;0.02;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM428700;MM428700;CCC#CC(=NNC)OC;KFVCMVHIDJASFP-UHFFFAOYSA-N;140.19;0.58;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_P1";;;;;;;0.81;;-0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM428701;MM428701;C=C(C)C1=CC(=NO)OC1;OQGOQWAJBIOSHM-UHFFFAOYSA-N;139.15;1.31;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC5_SP1";;;;;;;0.81;;-0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM428702;MM428702;C#CC1(OCCCC)CC1;QORWUAPBQDRGLH-UHFFFAOYSA-N;138.21;1.97;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1_SP1";;;;;;;2.08;;0.48;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM428703;MM428703;C#CC12CC1C(=C)C(=N)N2;OBTIJWABMGRSAF-UHFFFAOYSA-N;132.17;0.51;;;;;DOPC;MDCG;27;1;"MARTINI bead: SNd_SNd";;;;;;;0.87;;-4.58;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM428704;MM428704;CC=C(CN)C1CC1CC;LFAYMSBYFSOVIB-UHFFFAOYSA-N;139.24;1.94;;;;;DOPC;MDCG;27;1;"MARTINI bead: SC3_Nd";;;;;;;2.57;;-0.96;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM428705;MM428705;N#CCc1ccc(N=O)[nH]1;PWVRGZVCYIJFHG-UHFFFAOYSA-N;135.13;1.48;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNd_SN0";;;;;;;1.17;;-1.04;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM428706;MM428706;CCC1C=CC(C(C)C)=C1;SCRQZBXPQNCQBN-UHFFFAOYSA-N;136.24;3.16;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC3_SC3";;;;;;;4.27;;0.2;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM428707;MM428707;CCCC=CC(=NO)OC;HRLQZBWKPRZTKE-UHFFFAOYSA-N;143.19;1.78;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1_P2";;;;;;;1.8;;0.4;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM428708;MM428708;C#CC1(OCCCN)CC1;GNNYHPOEYLQIIA-UHFFFAOYSA-N;139.2;0.52;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_SP1";;;;;;;0.04;;-5.36;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM428709;MM428709;C#CC12CC1C(=C)C(=O)N2;VTFSQSHZQPVZQR-UHFFFAOYSA-N;133.15;0.06;;;;;DOPC;MDCG;27;0;"MARTINI bead: SN0_SP1";;;;;;;0.34;;-1.53;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM428710;MM428710;CC=C(CC)C1CC1CN;BRIXHNKUWBZXSU-UHFFFAOYSA-N;139.24;1.94;;;;;DOPC;MDCG;27;1;"MARTINI bead: C1_SNd";;;;;;;2.91;;-0.55;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM428711;MM428711;C=COC1=NC(=NC)C=C1;NOJJPGCUVBXVPH-UHFFFAOYSA-N;136.15;1.14;;;;;DOPC;MDCG;27;0;"MARTINI bead: SN0_SC5";;;;;;;1.94;;0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM428712;MM428712;CC(C)C1=CC(CO)C=C1;QWPCCIQYJLTLCK-UHFFFAOYSA-N;138.21;1.75;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC3_SNda";;;;;;;2.57;;0.44;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM428713;MM428713;C#CC1(OCCCO)CC1;SMKNHJIEMHFBMA-UHFFFAOYSA-N;140.18;0.55;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda_SP1";;;;;;;0.04;;-2.73;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM428714;MM428714;COC(C=CCCO)=NO;SZQRYHXLAISBDB-UHFFFAOYSA-N;145.16;0.36;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda_P1";;;;;;;0.04;;-2.73;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM428715;MM428715;NN=CC1=NOCC1;FKTKCILPRDGHLC-UHFFFAOYSA-N;113.12;-0.29;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNd_SNa";;;;;;;0.87;;-1.88;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM428716;MM428716;CC=C(CN)C1CC1CN;WRLVEXABHOFMJR-UHFFFAOYSA-N;140.23;0.49;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_SNd";;;;;;;0.87;;-5.02;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM428717;MM428717;CCOC(CC)=NN;NDDXDBZMZGXJJQ-UHFFFAOYSA-N;116.16;0.71;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_P1";;;;;;;0.81;;-0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM428718;MM428718;CCC1C=CC(C(C)N)=C1;KIULNQVHVLQKLJ-UHFFFAOYSA-N;137.23;1.86;;;;;DOPC;MDCG;27;1;"MARTINI bead: SC3_SNd";;;;;;;2.57;;-1.16;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM428719;MM428719;COC(C=CCCF)=NO;DHMVDWUASLJJPA-UHFFFAOYSA-N;147.15;1.34;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_C5";;;;;;;0.54;;-1.09;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM428720;MM428720;C#CC1(OCCCF)CC1;KEGGYKGGRGKAJW-UHFFFAOYSA-N;142.17;1.53;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4_SP1";;;;;;;1.37;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM428721;MM428721;C#CC12CC1C(=O)C(=O)N2;VPYWHZHMDPYITQ-UHFFFAOYSA-N;135.12;-0.92;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNd_SP2";;;;;;;-0.24;;-3.16;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM428722;MM428722;CC=C(CO)C1CC1CN;ZHWGYSXRXSGZDB-UHFFFAOYSA-N;141.21;0.52;;;;;DOPC;MDCG;27;1;"MARTINI bead: C5_SNd";;;;;;;1.64;;-2.69;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM428723;MM428723;C=CCC1=NC(=NC)N=C1;ANTRXUQUXGGRCI-UHFFFAOYSA-N;135.17;1.07;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP1_SN0";;;;;;;0.34;;-1.53;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM428724;MM428724;CC(N)C1=CC(CO)C=C1;ZGCJFOOVMWBWHL-UHFFFAOYSA-N;139.2;0.44;;;;;DOPC;MDCG;27;1;"MARTINI bead: SNd_SNda";;;;;;;0.87;;-4.35;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM428725;MM428725;CCC(O)C1CC1C(C)C;PYIJSSQUDLSXST-UHFFFAOYSA-N;142.24;2.05;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda_SC4";;;;;;;2.2;;0.49;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM428726;MM428726;C#CC1(OCCNC)CC1;KSAKGCMIYVGPAP-UHFFFAOYSA-N;139.2;0.39;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_SP1";;;;;;;0.04;;-4.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM428727;MM428727;C#CC12CC1C(=C)C(=C)O2;HKDZKAZJGJPOAP-UHFFFAOYSA-N;132.16;1.48;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNa_SC5";;;;;;;1.64;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM428728;MM428728;C=C(CC)CC(C)(O)CC;QSQBRTKFDWVUTI-UHFFFAOYSA-N;142.24;2.5;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1_Nda";;;;;;;2.91;;0.57;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM428729;MM428729;CN=C1N=CC(CC#N)=N1;IRASXWFHFLREGZ-UHFFFAOYSA-N;134.14;0.41;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP1_SP1";;;;;;;-0.79;;-3.13;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM428730;MM428730;CCOC=CC(=NO)OC;YFZHTFKISVVCQZ-UHFFFAOYSA-N;145.16;0.97;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_Nda";;;;;;;0.87;;-1.99;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM428731;MM428731;CCC1C=CC(C(C)O)=C1;KMSIVCDTGYRYNX-UHFFFAOYSA-N;138.21;1.89;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC3_SNda";;;;;;;2.57;;0.44;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM428732;MM428732;C#CC1(OCCOC)CC1;XEDSUWYLYBHIFP-UHFFFAOYSA-N;140.18;0.82;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_SP1";;;;;;;0.04;;-2.54;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM428733;MM428733;C#CC12CC1C(=C)C(=O)O2;ZROUHFGULJHEOQ-UHFFFAOYSA-N;134.13;0.49;;;;;DOPC;MDCG;27;0;"MARTINI bead: SN0_SNa";;;;;;;1.17;;-1.18;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM428734;MM428734;C=CCC(=NN)OC;YVNQVHYOEGOOEA-UHFFFAOYSA-N;114.15;0.48;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda_N0";;;;;;;1.17;;-1.13;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM428735;MM428735;CC=C(CN)C1CC1CO;CXZCGLBXRDERST-UHFFFAOYSA-N;141.21;0.52;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_SNda";;;;;;;0.87;;-4.15;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM428736;MM428736;CNC1C=CC(C(C)C)=C1;ZOYSIRFGMKTOSR-UHFFFAOYSA-N;137.23;1.73;;;;;DOPC;MDCG;27;1;"MARTINI bead: SNd_SC3";;;;;;;2.57;;-0.35;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM428737;MM428737;CC=C(C=NNCC)CC;UAGOCDKKPDPHRN-UHFFFAOYSA-N;140.23;1.94;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_C1";;;;;;;2.08;;0.48;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM428738;MM428738;C#CC1(CCCCC)CN1;CEXZZYODSKDMRW-UHFFFAOYSA-N;137.23;1.54;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1_SP1";;;;;;;2.08;;0.51;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM428739;MM428739;C#CC12CC1C(=O)C(=C)O2;UEVZOUBHWGQWJY-UHFFFAOYSA-N;134.13;0.49;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNa_SNa";;;;;;;0.87;;-2.22;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM428740;MM428740;C=CCC1=NC(=NO)N=C1;VITGKMTUGYCOAA-UHFFFAOYSA-N;137.14;0.83;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP1_SN0";;;;;;;0.34;;-1.53;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM428741;MM428741;CC=C(C)CC(C)(O)CC;RRACQTMBYSJCDY-UHFFFAOYSA-N;142.24;2.5;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda_C1";;;;;;;2.91;;0.57;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM428742;MM428742;C#CC1(CCCCN)CN1;FIUHGDGTRLDJFB-UHFFFAOYSA-N;138.21;0.09;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_SP1";;;;;;;0.04;;-5.43;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM428743;MM428743;CC(C)NN=c1occo1;LCGFKBQOFVSBJN-UHFFFAOYSA-N;142.16;0.69;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nd_SP2";;;;;;;-0.24;;-3.16;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM428744;MM428744;CNC1C=CC(C(C)N)=C1;FQUOYTMKQFTKSQ-UHFFFAOYSA-N;138.21;0.42;;;;;DOPC;MDCG;27;1;"MARTINI bead: SNd_SNd";;;;;;;0.87;;-4.61;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM428745;MM428745;C=COC(CC)=NN;RPCVOBGPBDFCKO-UHFFFAOYSA-N;114.15;0.83;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_Nda";;;;;;;1.64;;0.05;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM428746;MM428746;C#CC12CC1C(=O)C(=O)O2;IGYNRQWFEFKNDY-UHFFFAOYSA-N;136.11;-0.5;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNa_SP1";;;;;;;0.04;;-2.54;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM428747;MM428747;CCC(=NO)C1CC1CC;KAPXSCMITFWFHX-UHFFFAOYSA-N;141.21;2.27;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC3_Nda";;;;;;;2.57;;0.44;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM428748;MM428748;CC=C(C=NNCC)CF;KCYSYCBCRFLKHD-UHFFFAOYSA-N;144.19;1.5;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_C3";;;;;;;1.74;;0.29;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM428749;MM428749;CNC1C=CC(C(C)O)=C1;XHFIUDYFVUMRPQ-UHFFFAOYSA-N;139.2;0.45;;;;;DOPC;MDCG;27;1;"MARTINI bead: SNd_SNda";;;;;;;0.87;;-3.21;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM428750;MM428750;C#CC1(CCCNC)CN1;SZSRUHUUDWTBGS-UHFFFAOYSA-N;138.21;-0.04;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_SP1";;;;;;;0.04;;-5.75;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM428751;MM428751;CCC1CC1C(CN)=NO;HBKADVJNGNQPEV-UHFFFAOYSA-N;142.2;0.82;;;;;DOPC;MDCG;27;1;"MARTINI bead: SC3_P2";;;;;;;1.46;;-2.69;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM428752;MM428752;C#CC12CC(=C)C(=C)C1N2;CRXFJUFPYRYBPG-UHFFFAOYSA-N;131.18;0.85;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNd_SC4";;;;;;;2.2;;0.32;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM428753;MM428753;C=CC(=NN)OCC;FIVVUKMSZSFUBT-UHFFFAOYSA-N;114.15;0.48;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda_N0";;;;;;;1.17;;-1.13;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM428754;MM428754;CCNN=CC(=CF)CF;TUUQCBCHPUZEFQ-UHFFFAOYSA-N;148.16;1.4;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nd_C5";;;;;;;1.64;;0.02;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM428755;MM428755;COC1C=CC(C(C)C)=C1;QFBCNSIQAQLNNU-UHFFFAOYSA-N;138.21;2.15;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNa_SC3";;;;;;;2.57;;0.45;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM428756;MM428756;C#CC1(CCCOC)CN1;DJCSIXWBOMQWHI-UHFFFAOYSA-N;139.2;0.39;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_SP1";;;;;;;0.04;;-2.54;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM428757;MM428757;NN=CC=NOC=O;NONVAHREXWKEKF-UHFFFAOYSA-N;115.09;-0.91;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nd_P2";;;;;;;-0.24;;-3.16;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM428758;MM428758;C=CNC1=NC(=NO)N=C1;OWPASKBWSFWOQO-UHFFFAOYSA-N;138.13;-0.05;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP1_SNd";;;;;;;0.04;;-2.63;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM428759;MM428759;CCC(=NO)C1CC1CN;BLCMWMAGKCRCMI-UHFFFAOYSA-N;142.2;0.82;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nda_SNd";;;;;;;0.87;;-5.6;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM428760;MM428760;CC=C(C=NOCC)CC;MYLUFCUXHDPTJJ-UHFFFAOYSA-N;141.21;2.37;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_C1";;;;;;;2.08;;0.48;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM428761;MM428761;C#CC1(CCNCC)CN1;LZHZCMYDOBGEJN-UHFFFAOYSA-N;138.21;-0.04;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_SP1";;;;;;;0.04;;-5.42;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM428762;MM428762;COC1C=CC(C(C)N)=C1;SSFZCTAMNCOYHW-UHFFFAOYSA-N;139.2;0.84;;;;;DOPC;MDCG;27;1;"MARTINI bead: SNa_SNd";;;;;;;0.87;;-4.32;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM428763;MM428763;C=CC(CCC)C(C)(C)O;ARXHXXWOYQJSRU-UHFFFAOYSA-N;142.24;2.36;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1_Nda";;;;;;;2.91;;0.57;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM428764;MM428764;C=COC1=NC(=NC)N=C1;PTVHFKOCHMUFJZ-UHFFFAOYSA-N;137.14;0.62;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP1_SNa";;;;;;;0.04;;-2.54;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM428765;MM428765;CC=NN=CC=NN;PMCMYWPNAMVLQJ-UHFFFAOYSA-N;112.14;0.01;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_P1";;;;;;;0.81;;-0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM428766;MM428766;C#CC1(CCOCC)CN1;ICXYUNLTPWLEQH-UHFFFAOYSA-N;139.2;0.39;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_SP1";;;;;;;0.04;;-2.54;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM428767;MM428767;CCn1ccc(C(C)C)c1;CWXAIGBPZHSLTH-UHFFFAOYSA-N;137.23;2.63;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC5_SC4";;;;;;;2.97;;0.45;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM428768;MM428768;CC=C(C=NOCC)CN;RCSSCFUDTBISIR-UHFFFAOYSA-N;142.2;0.91;;;;;DOPC;MDCG;27;1;"MARTINI bead: Na_Nd";;;;;;;0.87;;-3.74;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM428769;MM428769;C=CC(C)(O)C(C)CC;AFZHCDYKLRIKAW-UHFFFAOYSA-N;128.22;1.97;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1_Nda";;;;;;;2.91;;0.57;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM428770;MM428770;CCC1CC1C(=NC)NC;NMJSZQOQBNUNMB-UHFFFAOYSA-N;140.23;1.28;;;;;DOPC;MDCG;27;1;"MARTINI bead: SC3_Nd";;;;;;;2.57;;-3.34;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM428771;MM428771;CC=CC(=NN)OC;OFAXIHQKMVXIEW-UHFFFAOYSA-N;114.15;0.48;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_C4";;;;;;;1.37;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM428772;MM428772;C#CC1(CNCCC)CN1;GKQPLXZGXYQQRY-UHFFFAOYSA-N;138.21;-0.04;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_SP3";;;;;;;-1.1;;-5.82;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM428773;MM428773;CCn1ccc(C(C)N)c1;VWGANURTTXYNED-UHFFFAOYSA-N;138.21;1.53;;;;;DOPC;MDCG;27;1;"MARTINI bead: SC5_SNd";;;;;;;1.64;;-2.01;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM428774;MM428774;C#CC12CC(=C)C(=C)C1O2;NAABVRQCIMDPCW-UHFFFAOYSA-N;132.16;1.27;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNa_SC4";;;;;;;2.2;;0.34;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM428775;MM428775;C=NNC=NC(C)(C)CF;LMCOUHBPCUBALO-UHFFFAOYSA-N;145.18;0.97;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4_P2";;;;;;;1.09;;-0.38;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM428776;MM428776;CC=C(C=NOCC)CF;MKXGWVWKPGMLGC-UHFFFAOYSA-N;145.18;1.92;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_C3";;;;;;;1.74;;0.29;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM428777;MM428777;C=CCC1=NC(=NC)C=N1;QOLMWSIACMKULT-UHFFFAOYSA-N;135.17;1.07;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP1_SN0";;;;;;;0.34;;-1.53;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM428778;MM428778;C#CC1(CNCCN)CN1;ILGDYYOOPJHHTH-UHFFFAOYSA-N;139.2;-1.49;;;;;DOPC;MDCG;27;1;"MARTINI bead: P3_SP3";;;;;;;-3.07;;-8.13;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM428779;MM428779;CCn1ccc(C(C)O)c1;DPITZJSMASAQCM-UHFFFAOYSA-N;139.2;1.56;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC5_SNda";;;;;;;1.64;;0.05;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM428780;MM428780;C#CC12CC(=O)C(=C)C1O2;RVIRPIAFTZXJJR-UHFFFAOYSA-N;134.13;0.29;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNa_SNa";;;;;;;0.87;;-2.22;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM428781;MM428781;CCON=CC(=CN)CF;JNULGYGERFBQDI-UHFFFAOYSA-N;146.17;0.82;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_Nda";;;;;;;0.87;;-1.99;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM428782;MM428782;C#CC=NNC(=N)C#CC;KLEPLYIYXOLYOP-UHFFFAOYSA-N;133.15;0.2;;;;;DOPC;MDCG;27;0;"MARTINI bead: N0_Nd";;;;;;;1.17;;-1.04;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM428783;MM428783;CN=C1C=NC(CC#N)=N1;DXFCBXGCSYRCRB-UHFFFAOYSA-N;134.14;0.41;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP1_SP1";;;;;;;-0.79;;-3.13;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM428784;MM428784;C#CC1(CNCCO)CN1;CSRRUKQEOAFFJD-UHFFFAOYSA-N;140.19;-1.46;;;;;DOPC;MDCG;27;1;"MARTINI bead: P3_SP1";;;;;;;-1.93;;-5.87;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM428785;MM428785;CNn1ccc(C(C)C)c1;KWAJCBIHWKQWOT-UHFFFAOYSA-N;138.21;1.78;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNd_SC4";;;;;;;2.2;;0.32;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM428786;MM428786;C#CC12CC(=C)C(=O)C1O2;OGXHYBSWWNDABP-UHFFFAOYSA-N;134.13;0.29;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNa_SNa";;;;;;;0.87;;-2.22;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM428787;MM428787;Nc1noc(=O)nc1C=O;DIYFHTJHHJWMTN-UHFFFAOYSA-N;141.09;-1.18;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP3_SP3";;;;;;;-3.07;;-6.15;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM428788;MM428788;CN=C(NC)C1CC1CN;IRDWNOOCBXJDNL-UHFFFAOYSA-N;141.22;-0.17;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_SNd";;;;;;;0.87;;-6.73;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM428789;MM428789;C=CCc1nc(N=N)c[nH]1;YPRZQNNWOZXEQA-UHFFFAOYSA-N;136.16;1.8;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNd_SP2";;;;;;;-0.24;;-3.16;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM428790;MM428790;C#CC1(COCCC)CN1;PJHQYPVZICLNJU-UHFFFAOYSA-N;139.2;0.39;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_SP3";;;;;;;-1.1;;-4.2;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM428791;MM428791;COn1ccc(C(C)C)c1;YKBAICMJISAKAS-UHFFFAOYSA-N;139.2;1.67;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNa_SC4";;;;;;;2.2;;0.34;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM428792;MM428792;C#CC12CC(=O)C(=O)C1O2;QTKYETJWKOAKMN-UHFFFAOYSA-N;136.11;-0.7;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNa_SNa";;;;;;;0.87;;-2.22;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM428793;MM428793;CCNN=CC(=NO)NC;LJTOOTMLIGIECC-UHFFFAOYSA-N;144.18;-0.41;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_P1";;;;;;;-0.79;;-3.13;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM428794;MM428794;C=CCc1nc(N=O)c[nH]1;RZARMMNZQJYDJD-UHFFFAOYSA-N;137.14;1.54;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNd_SP1";;;;;;;0.04;;-2.63;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM428795;MM428795;C#CC1(COCCN)CN1;BNEKAOWTVHJPEX-UHFFFAOYSA-N;140.19;-1.06;;;;;DOPC;MDCG;27;1;"MARTINI bead: P2_SP3";;;;;;;-2.2;;-7.21;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM428796;MM428796;CN=C(NC)C1CC1CO;VEMNCQCGYWTHQC-UHFFFAOYSA-N;142.2;-0.14;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_SNda";;;;;;;0.87;;-6.49;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM428797;MM428797;COn1ccc(C(C)N)c1;ZZPGDHZSTKIWQO-UHFFFAOYSA-N;140.19;0.57;;;;;DOPC;MDCG;27;1;"MARTINI bead: SNa_SNd";;;;;;;0.87;;-3.83;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM428798;MM428798;CCC1COC(=NN)O1;YEORDMHMEGWVDB-UHFFFAOYSA-N;130.15;0.04;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP1_SP2";;;;;;;-1.06;;-3.82;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM428799;MM428799;C#Cc1nc(=O)onc1N;SOLDXKZQJKKRSZ-UHFFFAOYSA-N;137.1;-1.01;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP3_SP3";;;;;;;-3.07;;-6.15;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM428800;MM428800;C=CC12CC1N(C)C(C)=N2;ZHAGNNDTULJPSD-UHFFFAOYSA-N;136.2;1.05;;;;;DOPC;MDCG;27;1;"MARTINI bead: SNd_SP1";;;;;;;0.04;;-4.36;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM428801;MM428801;COC(C=CF)=NN;NXRRCERVPKIYLA-UHFFFAOYSA-N;118.11;0.39;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_P1";;;;;;;0.81;;-0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM428802;MM428802;CC=C(OC)C1CC1CC;ASZXWQSFIAFULJ-UHFFFAOYSA-N;140.23;2.58;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC3_C3";;;;;;;4.27;;0.2;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM428803;MM428803;COn1ccc(C(C)O)c1;IEGMUIWNSNEDSP-UHFFFAOYSA-N;141.17;0.6;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNa_SNda";;;;;;;0.87;;-1.99;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM428804;MM428804;C#CC1(CCCCC)CO1;WZBWUTREWHZKNA-UHFFFAOYSA-N;138.21;1.97;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1_SNa";;;;;;;2.91;;0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM428805;MM428805;COC(C=O)CC1CN1C;WYANMJBDQNRQDF-UHFFFAOYSA-N;143.19;-0.1;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_SNd";;;;;;;0.04;;-2.63;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM428806;MM428806;C=C(CC)C(C)(O)CC;ZZMUMHJTOKISCT-UHFFFAOYSA-N;128.22;2.11;;;;;DOPC;MDCG;27;0;"MARTINI bead: C3_Nda";;;;;;;2.57;;0.44;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM428807;MM428807;C=C(C)C(=NN)OC;DRBPSDNWTAVGPT-UHFFFAOYSA-N;114.15;0.48;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_C4";;;;;;;1.37;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM428808;MM428808;CC=C(OC)C1CC1CN;BBAGKSMMCLBMHS-UHFFFAOYSA-N;141.21;1.13;;;;;DOPC;MDCG;27;1;"MARTINI bead: C3_SNd";;;;;;;2.57;;-1.51;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM428809;MM428809;CNn1cc(C(C)C)cn1;NVOMDSCKRLKIEB-UHFFFAOYSA-N;139.2;1.18;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP1_SN0";;;;;;;0.34;;-1.53;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM428810;MM428810;C#CC1(CCCOC)CO1;HMPHKNHFWLRBGC-UHFFFAOYSA-N;140.18;0.82;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_SNa";;;;;;;0.87;;-2.22;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM428811;MM428811;CCNN=CC(=NO)NO;HFSNYAXCXHSDQM-UHFFFAOYSA-N;146.15;-0.65;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_P2";;;;;;;-1.06;;-3.82;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM428812;MM428812;C=CNc1nc(N=O)c[nH]1;GCDCVVKMBKLFFW-UHFFFAOYSA-N;138.13;1.36;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP1_SP1";;;;;;;-0.79;;-3.13;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM428813;MM428813;C=CC(O)(CC)CCC;TWJPSVKZIDNJRC-UHFFFAOYSA-N;128.22;2.11;;;;;DOPC;MDCG;27;0;"MARTINI bead: C3_C5";;;;;;;3.34;;0.48;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM428814;MM428814;CC=C(OC)C1CC1CO;VJPZWOBDBCDDAJ-UHFFFAOYSA-N;142.2;1.17;;;;;DOPC;MDCG;27;0;"MARTINI bead: C3_SNda";;;;;;;2.57;;0.44;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM428815;MM428815;CNn1cc(C(C)N)cn1;VNDYRHHFFKAPHK-UHFFFAOYSA-N;140.19;0.08;;;;;DOPC;MDCG;27;1;"MARTINI bead: SP1_SP1";;;;;;;-0.79;;-4.75;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM428816;MM428816;CCON=CC(=CF)OC;ZBFHOMOTLUPFOW-UHFFFAOYSA-N;147.15;1.47;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_C5";;;;;;;0.81;;-0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM428817;MM428817;C#CC1(CCNCC)CO1;DHFIDRPJJBXBIF-UHFFFAOYSA-N;139.2;0.39;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_SNa";;;;;;;0.87;;-4.8;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM428818;MM428818;C#CCC1=CC(=CC)C=C1;HWPXLJODQPUPOL-UHFFFAOYSA-N;130.19;2.45;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC4_SC4";;;;;;;3.53;;0.53;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM428819;MM428819;C=CC12C=C(C)C(C)C1N2;CCELGEDIKHJRDY-UHFFFAOYSA-N;135.21;1.48;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNd_SC2";;;;;;;2.83;;0.63;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM428820;MM428820;CNc1nc(=N)n(C=O)o1;ZCPLZXOBIQKRJW-UHFFFAOYSA-N;142.12;-0.96;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNda_SP3";;;;;;;-1.1;;-3.97;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM428821;MM428821;COC(=NO)C1CC1CF;YXWPPJOFNUMOSO-UHFFFAOYSA-N;147.15;1.03;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda_SC5";;;;;;;1.64;;0.05;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM428822;MM428822;COn1cc(C(C)C)cn1;DIFDGNQLDYDUGU-UHFFFAOYSA-N;140.19;1.06;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNa_SN0";;;;;;;1.17;;-1.18;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM428823;MM428823;C#CC1(CCOCC)CO1;LJPLVJGQCYODSE-UHFFFAOYSA-N;140.18;0.82;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_SNa";;;;;;;0.87;;-2.22;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM428824;MM428824;C#CCC1=CC(=CF)C=C1;LBGVITCGVIFKHB-UHFFFAOYSA-N;134.15;2.36;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC5_SC4";;;;;;;2.97;;0.45;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM428825;MM428825;CC=CC(O)(CC)CC;NLSZGRWKFRRFDA-UHFFFAOYSA-N;128.22;2.11;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_C4";;;;;;;2.97;;0.45;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM428826;MM428826;CC=C(CC)C1CC1NC;LQWDWOFRMIWFAW-UHFFFAOYSA-N;139.24;1.95;;;;;DOPC;MDCG;27;1;"MARTINI bead: C1_SNd";;;;;;;2.91;;-0.46;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM428827;MM428827;C=CCC=CC(=CC)CC;IEFQMWIEGRXWSH-UHFFFAOYSA-N;136.24;3.48;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1_C3";;;;;;;4.61;;0.31;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM428828;MM428828;CCn1cnc(C(C)C)c1;PQWPVOKMZRSQQM-UHFFFAOYSA-N;138.21;2.03;;;;;DOPC;MDCG;27;0;"MARTINI bead: SN0_SNa";;;;;;;1.17;;-1.17;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM428829;MM428829;C#CCC1=CC(=NN)C=C1;QTBKRCSMTWCWEH-UHFFFAOYSA-N;132.17;0.82;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNd_SC4";;;;;;;2.2;;0.32;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM428830;MM428830;C#CC1(CNCCC)CO1;OUEPATOUCPKDHJ-UHFFFAOYSA-N;139.2;0.39;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_SNa";;;;;;;0.87;;-3.86;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM428831;MM428831;C=C1C(C)=CC2(CC)CC12;XDTBDRJOSVCBBK-UHFFFAOYSA-N;134.22;2.92;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC3_SC3";;;;;;;4.27;;0.2;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM428832;MM428832;CC=C(CN)C1CC1NC;QXQZPOLOSPCRCL-UHFFFAOYSA-N;140.23;0.5;;;;;DOPC;MDCG;27;1;"MARTINI bead: SNd_Nd";;;;;;;0.87;;-4.94;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM428833;MM428833;CCn1cnc(C(C)N)c1;CKVSKYKRMCXWHQ-UHFFFAOYSA-N;139.2;0.92;;;;;DOPC;MDCG;27;1;"MARTINI bead: SN0_SP1";;;;;;;0.34;;-2.68;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM428834;MM428834;CC=C(C=CCC=O)CC;XVALCSZFLMWEMN-UHFFFAOYSA-N;138.21;2.49;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1_Na";;;;;;;2.91;;0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM428835;MM428835;C#CCC1=CC(=NO)C=C1;ZYCCATPFYKKFRH-UHFFFAOYSA-N;133.15;1.34;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNda_SC4";;;;;;;2.2;;0.49;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM428836;MM428836;C#CC1(CNCCN)CO1;DEMCBEGXPKQDME-UHFFFAOYSA-N;140.19;-1.06;;;;;DOPC;MDCG;27;1;"MARTINI bead: P3_SNa";;;;;;;-1.1;;-6.25;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM428837;MM428837;C=C1C(C)=CC2(CN)CC12;DDFDATXRIITVML-UHFFFAOYSA-N;135.21;1.47;;;;;DOPC;MDCG;27;1;"MARTINI bead: SNd_SC3";;;;;;;2.57;;-1.16;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM428838;MM428838;CNC1CC1C(=CF)CN;GUZPWOXTSUOXRM-UHFFFAOYSA-N;144.19;0.41;;;;;DOPC;MDCG;27;1;"MARTINI bead: SNd_P1";;;;;;;0.04;;-5.42;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM428839;MM428839;CC=C(C=CCC#N)CC;YDQOJPRESMJZDN-UHFFFAOYSA-N;135.21;2.81;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1_N0";;;;;;;3.21;;0.46;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM428840;MM428840;CNn1cnc(C(C)C)c1;BZXSROUBJQOHBE-UHFFFAOYSA-N;139.2;1.18;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP2_SNa";;;;;;;-0.24;;-3.24;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM428841;MM428841;C#CCC1=CC(=NC)N=C1;IWJWKZJBKWWPPT-UHFFFAOYSA-N;132.17;1.05;;;;;DOPC;MDCG;27;0;"MARTINI bead: SN0_SC5";;;;;;;1.94;;0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM428842;MM428842;C#CC1(CNCCO)CO1;NRCPCFQSWAZOSU-UHFFFAOYSA-N;141.17;-1.03;;;;;DOPC;MDCG;27;1;"MARTINI bead: P2_SNa";;;;;;;-0.24;;-4.49;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM428843;MM428843;C=CC1CC(C)(C)C1O;IETLHCSINNTCPT-UHFFFAOYSA-N;126.2;1.58;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC3_SNda";;;;;;;2.57;;0.44;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM428844;MM428844;CC=C(CO)C1CC1NC;HPOJAKPJQMGYEN-UHFFFAOYSA-N;141.21;0.53;;;;;DOPC;MDCG;27;1;"MARTINI bead: SNd_C5";;;;;;;1.64;;-2.28;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM428845;MM428845;CCC(C=CCC=O)=CF;WHADBBUEWUTDSJ-UHFFFAOYSA-N;142.17;2.4;;;;;DOPC;MDCG;27;0;"MARTINI bead: C2_Na";;;;;;;2.83;;0.35;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM428846;MM428846;CNn1cnc(C(C)N)c1;TXISGBODYHXXPZ-UHFFFAOYSA-N;140.19;0.08;;;;;DOPC;MDCG;27;1;"MARTINI bead: SP2_SP1";;;;;;;-1.06;;-4.92;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM428847;MM428847;CC1COC(=NN)C1;SRPFJHWRWCLYCO-UHFFFAOYSA-N;114.15;0.32;;;;;DOPC;MDCG;27;0;"MARTINI bead: SN0_SNda";;;;;;;1.17;;-1.13;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM428848;MM428848;C#CC1(COCCC)CO1;DVIWSFIFQVIJLL-UHFFFAOYSA-N;140.18;0.82;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_SNa";;;;;;;0.87;;-2.22;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM428849;MM428849;CC=C(CF)C1CC1NC;SSSZBFIHKSKRLY-UHFFFAOYSA-N;143.21;1.51;;;;;DOPC;MDCG;27;1;"MARTINI bead: SNd_C3";;;;;;;2.57;;-1.4;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM428850;MM428850;C=C1C(F)=CC2(CN)CC12;IRPBVIHTCYITJO-UHFFFAOYSA-N;139.17;1.37;;;;;DOPC;MDCG;27;1;"MARTINI bead: SNd_SC4";;;;;;;2.2;;-1.86;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM428851;MM428851;CCC(C=CCC#N)=CF;YECGREICHWLAAH-UHFFFAOYSA-N;139.17;2.72;;;;;DOPC;MDCG;27;0;"MARTINI bead: C3_N0";;;;;;;2.87;;0.37;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM428852;MM428852;COn1cnc(C(C)C)c1;BNKYWFBCLANGHA-UHFFFAOYSA-N;140.19;1.06;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP1_SNa";;;;;;;0.04;;-2.54;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM428853;MM428853;C#CCc1c[nH]c(N=O)c1;SUXHLBIDCQWVTP-UHFFFAOYSA-N;134.14;1.59;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNd_SN0";;;;;;;1.17;;-1.04;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM428854;MM428854;CCC(=NN)C1CC1NC;NWIIOKGIENPVJA-UHFFFAOYSA-N;141.22;0.32;;;;;DOPC;MDCG;27;1;"MARTINI bead: C5_SNd";;;;;;;1.64;;-2.09;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM428856;MM428856;CCC12C=C(C)C(=O)C1C2;RDTALEUCUFROQE-UHFFFAOYSA-N;136.19;1.93;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC3_SNa";;;;;;;2.57;;0.45;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM428855;MM428855;C#CC1(COCCN)CO1;XEFRYBAJRSLQQD-UHFFFAOYSA-N;141.17;-0.64;;;;;DOPC;MDCG;27;1;"MARTINI bead: P2_SNa";;;;;;;-0.24;;-5.28;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM428857;MM428857;C=CCC=CC(=CC)CN;OZJNPAHPTGCENP-UHFFFAOYSA-N;137.23;2.02;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_C2";;;;;;;2.83;;-0.21;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM428858;MM428858;COn1cnc(C(C)N)c1;DKAOITXLUJHVAR-UHFFFAOYSA-N;141.17;-0.04;;;;;DOPC;MDCG;27;1;"MARTINI bead: SP1_SP1";;;;;;;-0.79;;-4.15;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM428859;MM428859;COC1CC1C(=CF)CN;DNDNGBQMPCWTCN-UHFFFAOYSA-N;145.18;0.83;;;;;DOPC;MDCG;27;1;"MARTINI bead: SNa_P1";;;;;;;0.04;;-4.69;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM428860;MM428860;C#CCc1cc(N=O)c[nH]1;WQEJIRUWLAESHG-UHFFFAOYSA-N;134.14;1.59;;;;;DOPC;MDCG;27;0;"MARTINI bead: SN0_SNd";;;;;;;1.17;;-1.04;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM428861;MM428861;C#CC1(COCCO)CO1;FZNOBMSNMHNAHV-UHFFFAOYSA-N;142.15;-0.6;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_SNa";;;;;;;-0.24;;-3.24;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM428862;MM428862;C=C1C(C)=CC2(NC)CC12;PACRFUCAKGHZEB-UHFFFAOYSA-N;135.21;1.48;;;;;DOPC;MDCG;27;1;"MARTINI bead: SNd_SC3";;;;;;;2.57;;-0.71;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM428863;MM428863;COn1cc(C(C)C)nn1;WTSROTRLWZFYME-UHFFFAOYSA-N;141.17;0.46;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP1_SNa";;;;;;;0.04;;-2.54;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM428864;MM428864;C=CCC=CC(=CF)CN;ZBIMPCMKSLWORI-UHFFFAOYSA-N;141.19;1.93;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1_C2";;;;;;;2;;-0.77;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM428865;MM428865;CC=C(CO)C1CC1OC;VVRPDAKKVXXVQR-UHFFFAOYSA-N;142.2;0.96;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNa_C5";;;;;;;1.64;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM428866;MM428866;C#CCC1=NC(=NC)C=C1;LMNOLHCIBWIYMJ-UHFFFAOYSA-N;132.17;1.05;;;;;DOPC;MDCG;27;0;"MARTINI bead: SN0_SC5";;;;;;;1.94;;0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM428867;MM428867;C#CC1(CCCC=C)CC1;LSGRKLYTVWWMTJ-UHFFFAOYSA-N;134.22;2.76;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1_SC5";;;;;;;3.68;;0.46;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM428868;MM428868;CNC12C=C(C)C(=O)C1C2;VODPVKPEIRFQHU-UHFFFAOYSA-N;137.18;0.49;;;;;DOPC;MDCG;27;1;"MARTINI bead: SNd_SNa";;;;;;;0.87;;-3.21;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM428869;MM428869;C=CCC=CC(=CC)CO;SWEYODNDUKHFMX-UHFFFAOYSA-N;138.21;2.06;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda_C2";;;;;;;2.83;;0.57;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM428870;MM428870;CCn1ccc(C(C)C)n1;YGRLDZCXSKNIRP-UHFFFAOYSA-N;138.21;2.03;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNa_SN0";;;;;;;1.17;;-1.18;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM428871;MM428871;CCC(=NN)C1CC1OC;JXUWOMZAXKCWTR-UHFFFAOYSA-N;142.2;0.75;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nd_SNa";;;;;;;0.87;;-1.88;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM428872;MM428872;NN=C1CC(F)CO1;TYLSKEBMBCGCMC-UHFFFAOYSA-N;118.11;0.02;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNda_SNa";;;;;;;0.87;;-1.99;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM428873;MM428873;C#CC1(CCCC#N)CC1;UMPUCQJHBZCHSD-UHFFFAOYSA-N;133.19;2.09;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC5_P1";;;;;;;0.81;;-0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM428874;MM428874;CC(C)ON=CC=NN;NDALIHRABOBCPU-UHFFFAOYSA-N;129.16;0.34;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_P1";;;;;;;0.81;;-0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM428875;MM428875;CC=C(C=CCC=O)CO;AHYKFAQOWSEQGE-UHFFFAOYSA-N;140.18;1.07;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda_Na";;;;;;;0.87;;-1.99;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM428876;MM428876;CNn1ccc(C(C)C)n1;OXMKXZZFDCSIOF-UHFFFAOYSA-N;139.2;1.18;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP1_SN0";;;;;;;0.34;;-1.53;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM428877;MM428877;CN=C(NC)C1CC1OC;UNSFQKPASXNHTJ-UHFFFAOYSA-N;142.2;0.27;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_SNa";;;;;;;0.87;;-5.94;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM428878;MM428878;C#CCc1ccc(N=O)[nH]1;BOPOTIVSWGOWIF-UHFFFAOYSA-N;134.14;1.59;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNd_SN0";;;;;;;1.17;;-1.04;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM428879;MM428879;C#CC1(CCNC=N)CC1;GOERQJRNVYVZEV-UHFFFAOYSA-N;136.2;0.99;;;;;DOPC;MDCG;27;1;"MARTINI bead: P3_SC5";;;;;;;-0.33;;-6.05;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM428880;MM428880;CC(=O)ON=CC=NN;RPLYQLDPIRFGID-UHFFFAOYSA-N;129.12;-0.52;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_Nd";;;;;;;-0.24;;-3.16;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM428881;MM428881;CC=C(C=CCC#N)CO;QNNPNYVTBKQLEX-UHFFFAOYSA-N;137.18;1.39;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda_N0";;;;;;;1.17;;-1.13;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM428882;MM428882;COn1ccc(C(C)C)n1;JSFIJLBSCWHRQX-UHFFFAOYSA-N;140.19;1.06;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNa_SN0";;;;;;;1.17;;-1.18;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM428883;MM428883;C#CCC1=NC(=NC)N=C1;TUPNTUYSGKWFSJ-UHFFFAOYSA-N;133.15;0.52;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP1_SN0";;;;;;;0.34;;-1.53;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM428884;MM428884;CC=C(CN)C1NC1CC;PSMMVZHJJLVSNA-UHFFFAOYSA-N;140.23;0.64;;;;;DOPC;MDCG;27;1;"MARTINI bead: SNd_Nd";;;;;;;0.87;;-4.01;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM428885;MM428885;C=C1C(C)=CC2(CC)OC12;PZCVJQRKPJDPQM-UHFFFAOYSA-N;136.19;2.05;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNa_SC3";;;;;;;2.57;;0.45;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM428886;MM428886;NN=C1OCC(CF)O1;JGCJXJKGEPEJRE-UHFFFAOYSA-N;134.11;-0.4;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP2_SP1";;;;;;;-1.06;;-3.82;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM428887;MM428887;N#CCC=CC(=CF)CO;BTUHTTDGORDHRM-UHFFFAOYSA-N;141.15;1.3;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda_N0";;;;;;;1.17;;-1.13;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM428888;MM428888;CCn1ncc(C(C)C)n1;OTCFWXBDTCHUEJ-UHFFFAOYSA-N;139.2;1.42;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNa_SN0";;;;;;;1.17;;-1.18;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM428889;MM428889;CC1CCC(=NN)O1;DBVFSTUJOLQMIH-UHFFFAOYSA-N;114.15;0.46;;;;;DOPC;MDCG;27;0;"MARTINI bead: SN0_SNda";;;;;;;1.17;;-1.13;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM428890;MM428890;CC=C(CC)C1NC1CN;KNDYVPLHHALRHV-UHFFFAOYSA-N;140.23;0.64;;;;;DOPC;MDCG;27;1;"MARTINI bead: C1_SP2";;;;;;;1.8;;-0.84;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM428891;MM428891;C=C1C(F)=CC2(CC)OC12;DLKHJGSEONKHGX-UHFFFAOYSA-N;140.16;1.96;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNa_SC4";;;;;;;2.2;;0.34;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM428892;MM428892;CC=C(C=CCC=O)CF;FOYJIWBBKNTBRL-UHFFFAOYSA-N;142.17;2.05;;;;;DOPC;MDCG;27;0;"MARTINI bead: C3_Na";;;;;;;2.57;;0.45;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM428893;MM428893;C#CC1(CCNN=C)CC1;YGTOAOZMHTWKJL-UHFFFAOYSA-N;136.2;1;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_SC5";;;;;;;0.54;;-1.09;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM428894;MM428894;CCn1cnc(C(C)C)n1;ZMBWQGWYKHDWJW-UHFFFAOYSA-N;139.2;1.42;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP1_SNa";;;;;;;0.04;;-2.54;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM428895;MM428895;CCC(=CF)C1NC1CN;FQKFKJVBUMUFDI-UHFFFAOYSA-N;144.19;0.55;;;;;DOPC;MDCG;27;1;"MARTINI bead: C3_SP2";;;;;;;1.46;;-1.96;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM428896;MM428896;C#CCC1=NC(=NC)C=N1;RZIHSOXOYYWWER-UHFFFAOYSA-N;133.15;0.52;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP1_SN0";;;;;;;0.34;;-1.53;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM428897;MM428897;O=CCC=CC(=CF)CF;QWXGKAZOJKPUMY-UHFFFAOYSA-N;146.14;1.95;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_Na";;;;;;;1.64;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM428898;MM428898;CCC12C=C(C)C(=O)C1O2;ULWYDEHKDQHYRH-UHFFFAOYSA-N;138.17;1.06;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNa_SNa";;;;;;;0.87;;-2.22;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM428899;MM428899;CNn1cnc(C(C)C)n1;JFHBQNCGTLMERS-UHFFFAOYSA-N;140.19;0.57;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP2_SNa";;;;;;;-0.24;;-3.24;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM428900;MM428900;C#CC1(CCOC=C)CC1;HMXFLSMAIHWITG-UHFFFAOYSA-N;136.19;1.95;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_SC5";;;;;;;1.64;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM428901;MM428901;NCC(=CF)C1NC1CN;HZLFPBBJSLMHRF-UHFFFAOYSA-N;145.18;-0.9;;;;;DOPC;MDCG;27;1;"MARTINI bead: SP2_P1";;;;;;;-1.06;;-6;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM428902;MM428902;C#CCc1nc(N=N)c[nH]1;PQVXEQXIFFQDCG-UHFFFAOYSA-N;134.14;1.25;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP2_SNd";;;;;;;-0.24;;-3.16;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM428903;MM428903;C=CC12C=C(C)C(=C)C1C2;IDHQVEVENTUZBH-UHFFFAOYSA-N;132.21;2.69;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC3_SC3";;;;;;;4.27;;0.2;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM428904;MM428904;CCn1nnc(C(C)C)n1;NQYVWTOEFDTWHP-UHFFFAOYSA-N;140.19;0.82;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP1_SNa";;;;;;;0.04;;-2.54;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM428905;MM428905;CC=C(C=CNC=N)CC;BIZCCPQEVGTCJK-UHFFFAOYSA-N;138.21;2.05;;;;;DOPC;MDCG;27;1;"MARTINI bead: C1_P2";;;;;;;1.8;;-2.67;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM428906;MM428906;C#CC1(CCOC=O)CC1;QBURZDPDDUHWNG-UHFFFAOYSA-N;138.17;0.96;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_SC5";;;;;;;0.81;;-0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM428907;MM428907;CC=C(CO)C1NC1CN;XZITVOCXUXNBJS-UHFFFAOYSA-N;142.2;-0.78;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nda_SP2";;;;;;;-0.24;;-5.24;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM428908;MM428908;C#CC1(CCON=C)CC1;QRBYZNHIYDLUKS-UHFFFAOYSA-N;137.18;1.42;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_SC5";;;;;;;0.81;;-0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM428909;MM428909;CC=CC1=CC(=CC)C=C1;WEFNKXMBTVHHJM-UHFFFAOYSA-N;132.21;3.01;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC3_SC4";;;;;;;3.9;;0.47;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM428910;MM428910;C=C1C(C)=CC2(C=O)CC12;NQYXGTONTUNEIR-UHFFFAOYSA-N;134.18;1.71;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNa_SC3";;;;;;;2.57;;0.45;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM428911;MM428911;CC=C(C=CNC=O)CC;JVLJXGDVOBRNAX-UHFFFAOYSA-N;139.2;1.6;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1_P3";;;;;;;0.94;;0.03;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM428912;MM428912;C=CC1C=CC(C(C)C)=C1;FIMXYOSPLHSYNP-UHFFFAOYSA-N;134.22;2.94;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC3_SC4";;;;;;;3.9;;0.47;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM428913;MM428913;CC=C(CF)C1NC1CN;HJRKONSRTDKGRD-UHFFFAOYSA-N;144.19;0.2;;;;;DOPC;MDCG;27;1;"MARTINI bead: C4_SP2";;;;;;;1.09;;-2.27;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM428914;MM428914;CC=CC1=CC(=CF)C=C1;WMGSPBJLIFAMDF-UHFFFAOYSA-N;136.17;2.91;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC3_SC5";;;;;;;3.34;;0.48;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM428915;MM428915;C#CC1(CNCC=C)CC1;BIUXVCUNNXLMCW-UHFFFAOYSA-N;135.21;1.18;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_SC5";;;;;;;1.64;;-2.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM428916;MM428916;C=C1C(C)=CC2(C#N)CC12;WAVHXZQEIAEBKO-UHFFFAOYSA-N;131.18;2.03;;;;;DOPC;MDCG;27;0;"MARTINI bead: SN0_SC3";;;;;;;2.87;;0.37;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM428917;MM428917;CC(C)C1=CC(C=O)C=C1;ZVVHQYDOHREBDY-UHFFFAOYSA-N;136.19;1.95;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC3_SNa";;;;;;;2.57;;0.45;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM428918;MM428918;CCC(C=CNC=N)=CF;QASFWUAASLAQPO-UHFFFAOYSA-N;142.18;1.96;;;;;DOPC;MDCG;27;1;"MARTINI bead: C2_P3";;;;;;;0.86;;-3.76;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM428919;MM428919;C=C(C=NNCC)C(C)=O;HLZBQXUYPBWDRY-UHFFFAOYSA-N;140.19;0.73;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nd_Na";;;;;;;0.87;;-1.88;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM428920;MM428920;C#CC1(CNCC#N)CC1;YJEXUBFZGSBXPM-UHFFFAOYSA-N;134.18;0.51;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC5_P2";;;;;;;0.54;;-1.09;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM428921;MM428921;C=Cn1ccc(C(C)C)c1;DNJHXCNSCBXCKB-UHFFFAOYSA-N;135.21;2.71;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC4_SN0";;;;;;;2.5;;0.44;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM428922;MM428922;CC=C1C=CC(C=NN)=C1;QYFRAWUJHXFJJK-UHFFFAOYSA-N;134.18;1.37;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC4_SC5";;;;;;;2.97;;0.45;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM428923;MM428923;C=CC12C=C(F)C(=C)C1C2;MNDGZYLAAUUXSZ-UHFFFAOYSA-N;136.17;2.6;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC4_SC3";;;;;;;3.9;;0.47;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM428924;MM428924;CC=C(C=CNC=N)CN;XULJBMQBVZBNFI-UHFFFAOYSA-N;139.2;0.6;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_P2";;;;;;;-0.24;;-6.94;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM428925;MM428925;CC=C(CN)C1NC1CO;CVRFTVWYUSYERE-UHFFFAOYSA-N;142.2;-0.78;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_SP2";;;;;;;-0.24;;-5.05;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM428926;MM428926;C#CC1(CNNC=N)CC1;GPLJSQYOWZGRNZ-UHFFFAOYSA-N;137.19;0.1;;;;;DOPC;MDCG;27;1;"MARTINI bead: P4_SC5";;;;;;;-0.41;;-5.59;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM428927;MM428927;CC(C)c1ccn(C=N)c1;CBQARXLRYAQFNK-UHFFFAOYSA-N;136.2;2.07;;;;;DOPC;MDCG;27;1;"MARTINI bead: SC4_SNd";;;;;;;2.2;;-3.18;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM428928;MM428928;NN=CC1=CC(=CF)C=C1;IMNSSICZNFJHCJ-UHFFFAOYSA-N;138.15;1.28;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC5_SC5";;;;;;;2.41;;0.64;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM428929;MM428929;CC=C(C=CNC=O)CN;IUDGIXLJLDDXRF-UHFFFAOYSA-N;140.19;0.15;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_P2";;;;;;;-0.24;;-5.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM428930;MM428930;C=C1C(F)=CC2(C#N)CC12;FSGUPHAESVWUDE-UHFFFAOYSA-N;135.14;1.94;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC4_SN0";;;;;;;2.5;;0.44;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM428931;MM428931;CN(N)C(C=CN)=NC=O;QRLFHOHXVMLPCW-UHFFFAOYSA-N;142.16;-1.18;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_P1";;;;;;;-1.06;;-3.82;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM428932;MM428932;CC(C)c1ccn(C=O)c1;XDBVLPULZYRQKV-UHFFFAOYSA-N;137.18;1.65;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC4_SNa";;;;;;;2.2;;0.34;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM428933;MM428933;COC1COC(=NN)O1;IFVVLTIOPYKGNT-UHFFFAOYSA-N;132.12;-0.76;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP1_SP2";;;;;;;-1.06;;-3.82;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM428934;MM428934;CC=CC1=CC(=NN)C=C1;GYAJBKKNAMWPBZ-UHFFFAOYSA-N;134.18;1.37;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC3_SNd";;;;;;;2.57;;0.53;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM428935;MM428935;NCC(C=CNC=O)=CF;KNKWNRBUVHPVQM-UHFFFAOYSA-N;144.15;0.06;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1_P2";;;;;;;-1.06;;-5.65;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM428936;MM428936;C=CC12C=C(C)C(=O)C1C2;JCCFHXAMKVQACO-UHFFFAOYSA-N;134.18;1.71;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC3_SNa";;;;;;;2.57;;0.45;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM428937;MM428937;CCC(=CF)C1NC1CF;XYDSTCXBBHYYJM-UHFFFAOYSA-N;147.17;1.56;;;;;DOPC;MDCG;27;0;"MARTINI bead: C3_SP1";;;;;;;1.74;;0.29;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM428938;MM428938;CC(O)c1ccn(C=O)c1;UUYYVKSLQSQGAW-UHFFFAOYSA-N;139.15;0.58;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNda_SNa";;;;;;;0.87;;-1.99;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM428939;MM428939;C#CC1(COCC=C)CC1;CBHCUJVNQSJGPW-UHFFFAOYSA-N;136.19;1.6;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_SC5";;;;;;;1.64;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM428940;MM428940;CC=CC1=CC(=NO)C=C1;AHFMTUVNMCSXIO-UHFFFAOYSA-N;135.17;1.89;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC3_SNda";;;;;;;2.57;;0.44;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM428941;MM428941;O=CNC=CC(=CF)CO;FAEWCKNVEFNFIV-UHFFFAOYSA-N;145.13;0.09;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda_P2";;;;;;;-0.24;;-3.31;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM428942;MM428942;CC1=CC2(C=O)CC2C1=O;USARHZKMLPOTSV-UHFFFAOYSA-N;136.15;0.72;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNa_SNa";;;;;;;0.87;;-2.22;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM428943;MM428943;C=Nn1ccc(C(C)C)c1;WUIPERMAMYAHFD-UHFFFAOYSA-N;136.2;2.08;;;;;DOPC;MDCG;27;1;"MARTINI bead: SC4_SN0";;;;;;;2.5;;-0.09;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM428944;MM428944;CC=C(CN)C1NC1CF;LCLJSQJMUZYNRU-UHFFFAOYSA-N;144.19;0.2;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_SP1";;;;;;;0.04;;-4.53;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM428945;MM428945;NN=CC1=CC(=NO)C=C1;LCCWGGWQZLNYMA-UHFFFAOYSA-N;137.14;0.26;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC5_SNda";;;;;;;1.64;;0.05;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM428946;MM428946;C#CC1(COCC=O)CC1;YPQYZWMYTMFOFL-UHFFFAOYSA-N;138.17;0.62;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_SC5";;;;;;;0.81;;-0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM428947;MM428947;CC=C(C=CNC=N)CF;SEOXDDQDDKGUGU-UHFFFAOYSA-N;142.18;1.61;;;;;DOPC;MDCG;27;1;"MARTINI bead: C3_P3";;;;;;;0.6;;-4.34;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM428948;MM428948;CC1=CC2(C#N)CC2C1=O;JMXYUVFDWBMIHK-UHFFFAOYSA-N;133.15;1.05;;;;;DOPC;MDCG;27;0;"MARTINI bead: SN0_SNa";;;;;;;1.17;;-1.18;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM428949;MM428949;C=Cn1cc(C(C)C)cn1;XCWHFAWXGVGQAI-UHFFFAOYSA-N;136.2;2.11;;;;;DOPC;MDCG;27;0;"MARTINI bead: SN0_SNa";;;;;;;1.17;;-1.18;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM428950;MM428950;CC=C(CF)C1NC1CF;WRSHFXBEORHZMO-UHFFFAOYSA-N;147.17;1.21;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4_SP1";;;;;;;1.37;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM428951;MM428951;CC=CC1=CC(=NC)N=C1;NHXKNHRPGSACBM-UHFFFAOYSA-N;134.18;1.6;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC4_SN0";;;;;;;2.5;;0.45;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM428952;MM428952;CC=C(C=CNC=O)CF;ULEJPMMDVONXAG-UHFFFAOYSA-N;143.16;1.16;;;;;DOPC;MDCG;27;0;"MARTINI bead: C3_P3";;;;;;;0.6;;-0.8;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM428953;MM428953;C#CC1(COCC#N)CC1;FAEWGQPDBBYQNF-UHFFFAOYSA-N;135.17;0.94;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC5_P1";;;;;;;0.81;;-0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM428954;MM428954;C=CC12C=C(C)C(=C)C1N2;NQYGRHCTLIQPAG-UHFFFAOYSA-N;133.19;1.4;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNd_SC3";;;;;;;2.57;;0.53;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM428955;MM428955;CCC(=NO)C1NC1CN;IFKVVVWVBPYHSR-UHFFFAOYSA-N;143.19;-0.47;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nda_SP2";;;;;;;-0.24;;-5.55;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM428956;MM428956;CC(C)c1cnn(C=N)c1;IGVGRQGSDOWAMS-UHFFFAOYSA-N;137.19;1.46;;;;;DOPC;MDCG;27;0;"MARTINI bead: SN0_SP1";;;;;;;0.34;;-1.53;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM428957;MM428957;N=CNC=CC(=CF)CF;JDIVGZNSAAYZSG-UHFFFAOYSA-N;146.14;1.52;;;;;DOPC;MDCG;27;1;"MARTINI bead: C5_P2";;;;;;;0.54;;-4.77;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM428958;MM428958;C#CC1(CONC=O)CC1;DZJPVYRWAUZTMR-UHFFFAOYSA-N;139.15;0.08;;;;;DOPC;MDCG;27;0;"MARTINI bead: P4_SC5";;;;;;;-0.41;;-2.78;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM428959;MM428959;C=C1COC(=NN)C1;QUMJOKLMLQDCHV-UHFFFAOYSA-N;112.13;0.24;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNda_SN0";;;;;;;1.17;;-1.13;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM428960;MM428960;CCC(=NO)C1NC1CO;MRZIFPVMYPFSQM-UHFFFAOYSA-N;144.17;-0.44;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda_SP2";;;;;;;-0.24;;-3.31;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM428961;MM428961;C=CC12C=C(F)C(=C)C1N2;MSWHRRQOXCQMOU-UHFFFAOYSA-N;137.16;1.31;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC4_SNd";;;;;;;2.2;;0.32;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM428962;MM428962;CC(C)c1cnn(C=O)c1;NXZAMKLEOHQBCX-UHFFFAOYSA-N;138.17;1.04;;;;;DOPC;MDCG;27;0;"MARTINI bead: SN0_SP1";;;;;;;0.34;;-1.53;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM428963;MM428963;C=COC=CC(=CC)CC;ATRYSFIXCNRSAF-UHFFFAOYSA-N;138.21;3.02;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1_Na";;;;;;;2.91;;0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM428964;MM428964;C#CC1(NCCC=C)CC1;JBONEYPCWHAUQB-UHFFFAOYSA-N;135.21;1.32;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_SC5";;;;;;;1.64;;-1.59;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM428965;MM428965;CC=Cc1c[nH]c(N=O)c1;HNVCRDDZWQKFSW-UHFFFAOYSA-N;136.15;2.45;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC5_SNd";;;;;;;1.64;;0.02;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM428966;MM428966;CC(C)=NNCCC#N;FWIDNVRMQVAZDE-UHFFFAOYSA-N;125.18;0.89;;;;;DOPC;MDCG;27;0;"MARTINI bead: C3_P3";;;;;;;0.6;;-0.8;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM428967;MM428967;CCC(=NO)C1NC1CF;ZBVNCOIVWMOEQQ-UHFFFAOYSA-N;146.17;0.54;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda_SP1";;;;;;;0.04;;-2.73;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM428968;MM428968;CC(N)c1cnn(C=N)c1;YDEYVBSAMSGANJ-UHFFFAOYSA-N;138.17;0.36;;;;;DOPC;MDCG;27;1;"MARTINI bead: SP1_SP1";;;;;;;-0.79;;-4.75;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM428969;MM428969;CC=C(C=COC=O)CC;TZFNUFMNBRXLPT-UHFFFAOYSA-N;140.18;2.03;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1_P1";;;;;;;2.08;;0.48;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM428970;MM428970;C=C1CCC(=NN)O1;NTBQWKWUNZBAAV-UHFFFAOYSA-N;112.13;0.58;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNd_SNa";;;;;;;0.87;;-1.88;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM428971;MM428971;C#CC1(OCCC=C)CC1;SVDOZHQQGGEBKO-UHFFFAOYSA-N;136.19;1.74;;;;;DOPC;MDCG;27;0;"MARTINI bead: C3_SP1";;;;;;;1.74;;0.29;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM428972;MM428972;C=CC12C=C(F)C(=C)C1O2;LQJHCGPBTUOIGA-UHFFFAOYSA-N;138.14;1.73;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC4_SNa";;;;;;;2.2;;0.34;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM428973;MM428973;CC(N)c1cnn(C=O)c1;XITPHHSLQKPIKO-UHFFFAOYSA-N;139.16;-0.06;;;;;DOPC;MDCG;27;1;"MARTINI bead: SP1_SP1";;;;;;;-0.79;;-4.15;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM428974;MM428974;CCC1NC1C(=NC)NC;VKGWTAHFNJPAAN-UHFFFAOYSA-N;141.22;-0.02;;;;;DOPC;MDCG;27;1;"MARTINI bead: SNd_P1";;;;;;;0.04;;-5.62;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM428975;MM428975;C=COC=CC(=CC)CN;BUBSHIUZAXSOGC-UHFFFAOYSA-N;139.2;1.57;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_C5";;;;;;;1.64;;-2.09;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM428976;MM428976;NN=Cc1c[nH]c(N=O)c1;LRGIWBCPJAHMCI-UHFFFAOYSA-N;138.13;0.71;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNd_SNd";;;;;;;0.87;;-2.11;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM428977;MM428977;C#CC1(OCCC=O)CC1;ISWMPOFXSMMDQP-UHFFFAOYSA-N;138.17;0.76;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_SP1";;;;;;;0.04;;-2.54;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM428978;MM428978;C=CC12C=C(C)C(=O)C1O2;INHYJQABENHPCD-UHFFFAOYSA-N;136.15;0.84;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNa_SNa";;;;;;;0.87;;-2.22;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM428979;MM428979;C=Nn1cc(C(C)C)cn1;FLGADKWACUQPJY-UHFFFAOYSA-N;137.19;1.47;;;;;DOPC;MDCG;27;0;"MARTINI bead: SN0_SP1";;;;;;;0.34;;-1.53;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM428980;MM428980;CN=C(NN)C1NC1CO;UBAYGYFQIGTECP-UHFFFAOYSA-N;144.18;-2.19;;;;;DOPC;MDCG;27;1;"MARTINI bead: P3_SP2";;;;;;;-2.2;;-6.4;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM428981;MM428981;C#CC1(OCCC#N)CC1;UEJJMXAIDLDISU-UHFFFAOYSA-N;135.17;1.08;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP1_P1";;;;;;;-0.79;;-3.13;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM428982;MM428982;CC=C(C=COC=O)CN;LHYHLAFBKKXGLU-UHFFFAOYSA-N;141.17;0.58;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_Na";;;;;;;0.87;;-4.08;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM428983;MM428983;CC=Cc1cc(N=O)c[nH]1;JURFOZLGWLZNHV-UHFFFAOYSA-N;136.15;2.45;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC5_SN0";;;;;;;1.94;;0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM428984;MM428984;C#CC12C=C(C)C(=C)C1C2;BBSZUDSYNZXRHJ-UHFFFAOYSA-N;130.19;2.14;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC5_SC3";;;;;;;3.34;;0.48;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM428985;MM428985;C=Nn1cc(C(C)N)cn1;HGILRXBUFNCVRU-UHFFFAOYSA-N;138.17;0.37;;;;;DOPC;MDCG;27;1;"MARTINI bead: SP1_SP1";;;;;;;-0.79;;-4.64;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM428986;MM428986;CN=C(NN)C1NC1CF;VUCCWJWLDZXRJH-UHFFFAOYSA-N;146.17;-1.21;;;;;DOPC;MDCG;27;1;"MARTINI bead: P3_SP1";;;;;;;-1.93;;-5.93;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM428987;MM428987;C#CC1(OCOC=O)CC1;NKYAKNNKTCECRR-UHFFFAOYSA-N;140.14;0.3;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_SP1";;;;;;;-0.79;;-3.13;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM428988;MM428988;C=COC=CC(=CF)CN;HRCPMTQBYMXVBE-UHFFFAOYSA-N;143.16;1.47;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1_C5";;;;;;;0.81;;-2.6;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM428989;MM428989;CC=CC1=NC(=NC)C=C1;MEGFALIRCSDFGI-UHFFFAOYSA-N;134.18;1.6;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC4_SN0";;;;;;;2.5;;0.45;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM428990;MM428990;C#CC12C=C(F)C(=C)C1C2;VANWEVALGBEDLI-UHFFFAOYSA-N;134.15;2.05;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC4_SC5";;;;;;;2.97;;0.45;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM428991;MM428991;C=Cn1cnc(C(C)N)c1;MKJLKQAVLNZZLW-UHFFFAOYSA-N;137.19;1;;;;;DOPC;MDCG;27;1;"MARTINI bead: SP1_SP1";;;;;;;-0.79;;-4.25;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM428992;MM428992;C#CC1(OCON=C)CC1;GGRARBYDYRGFHI-UHFFFAOYSA-N;139.15;0.76;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_SP1";;;;;;;-0.79;;-3.13;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM428993;MM428993;CC=C(OC)C1NC1CF;HNQXSUVFDMSDSN-UHFFFAOYSA-N;145.18;0.85;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_SP1";;;;;;;0.81;;-0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM428994;MM428994;CC1=COC(=NN)C1;NGWKNEWDZSJHKG-UHFFFAOYSA-N;112.13;0.58;;;;;DOPC;MDCG;27;0;"MARTINI bead: SN0_SNda";;;;;;;1.17;;-1.13;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM428995;MM428995;C=COC=CC(=CC)CO;AJLZKXQOXAMUGV-UHFFFAOYSA-N;140.18;1.6;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda_C5";;;;;;;1.64;;0.05;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM428996;MM428996;C#CC12C=C(C)C(=O)C1C2;YBMVUCZJCFMXBT-UHFFFAOYSA-N;132.16;1.15;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC5_SNa";;;;;;;1.64;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM428997;MM428997;C#CC1(CCCC=C)CN1;MVRQXPLGVXTGHS-UHFFFAOYSA-N;135.21;1.32;;;;;DOPC;MDCG;27;0;"MARTINI bead: C3_SP1";;;;;;;1.74;;0.32;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM428998;MM428998;CC(C)c1cn(C=N)nn1;HZMPREYHGDDXAP-UHFFFAOYSA-N;138.17;0.86;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNa_SP2";;;;;;;-0.24;;-3.24;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM428999;MM428999;CC=C(CN)C1OC1CC;JBKPEUFPXZSUNK-UHFFFAOYSA-N;141.21;1.07;;;;;DOPC;MDCG;27;1;"MARTINI bead: SNa_Nd";;;;;;;0.87;;-4.05;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM429000;MM429000;CC=C(C=COC=O)CO;OOMDDIXMECFYLY-UHFFFAOYSA-N;142.15;0.61;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda_Na";;;;;;;0.87;;-1.99;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM429001;MM429001;CC1=CCC(=NN)O1;NZTCFPNNGOGHSC-UHFFFAOYSA-N;112.13;0.58;;;;;DOPC;MDCG;27;0;"MARTINI bead: SN0_SNda";;;;;;;1.17;;-1.13;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM429002;MM429002;C#CC12C=C(F)C(=O)C1C2;UWOMZEPQCMMASD-UHFFFAOYSA-N;136.13;1.06;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNa_SC5";;;;;;;1.64;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM429003;MM429003;C#CC1(CCNC=N)CN1;XYVHXHIHOLLZQV-UHFFFAOYSA-N;137.19;-0.45;;;;;DOPC;MDCG;27;1;"MARTINI bead: P3_SP1";;;;;;;-1.93;;-8.66;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM429004;MM429004;C=Nn1cc(C(C)C)nn1;WWPJNGAEGSZIHZ-UHFFFAOYSA-N;138.17;0.87;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNa_SP1";;;;;;;0.04;;-2.54;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM429005;MM429005;CC=C(CF)C1OC1CC;JMUJGIGQTCAJGD-UHFFFAOYSA-N;144.19;2.08;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNa_C4";;;;;;;2.2;;0.34;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM429006;MM429006;CC=Cc1ccc(N=O)[nH]1;IGUCBEOZBHJKAI-UHFFFAOYSA-N;136.15;2.45;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC5_SNd";;;;;;;1.64;;0.02;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM429007;MM429007;CC=C(C=COC=O)CF;FVSNPLIDIRWALS-UHFFFAOYSA-N;144.15;1.59;;;;;DOPC;MDCG;27;0;"MARTINI bead: C3_P1";;;;;;;1.74;;0.29;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM429008;MM429008;CCC12CCN(C)C(C1)C2;ZCFXFSVMAUVVCF-UHFFFAOYSA-N;139.24;1.88;;;;;DOPC;MDCG;27;1;"MARTINI bead: SC1_SNd";;;;;;;2.91;;-0.62;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM429009;MM429009;C=CC1COC(=NN)O1;QBWLWOGGWJJEFV-UHFFFAOYSA-N;128.13;-0.18;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP2_SP1";;;;;;;-1.06;;-3.82;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM429010;MM429010;C=Cn1ccc(C(C)C)n1;MTZUAUMSBTZVLO-UHFFFAOYSA-N;136.2;2.11;;;;;DOPC;MDCG;27;0;"MARTINI bead: SN0_SNa";;;;;;;1.17;;-1.18;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM429011;MM429011;CC=C(CF)C1OC1CN;BSAWATJCKDPBNV-UHFFFAOYSA-N;145.18;0.63;;;;;DOPC;MDCG;27;1;"MARTINI bead: C4_SP2";;;;;;;1.09;;-2.32;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM429012;MM429012;CC(=NN)OC1CC1;CCDSOIKPGXKYEG-UHFFFAOYSA-N;114.15;0.46;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_SC5";;;;;;;0.54;;-1.09;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM429013;MM429013;C=COC=CC(=CF)CF;NXZKJJAIWFEFIX-UHFFFAOYSA-N;146.14;2.48;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_C5";;;;;;;2.41;;0.64;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM429014;MM429014;CN1CCC2(CN)CC1C2;SXNFQIOFOBHOHY-UHFFFAOYSA-N;140.23;0.43;;;;;DOPC;MDCG;27;1;"MARTINI bead: SNd_SNd";;;;;;;0.87;;-5.12;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM429015;MM429015;C#CC1(CCNN=C)CN1;JSHYTDSCSPREKJ-UHFFFAOYSA-N;137.19;-0.44;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_SP1";;;;;;;-1.06;;-3.82;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM429016;MM429016;CC(C)c1ccn(C=N)n1;BQRIVRSUDKWGFY-UHFFFAOYSA-N;137.19;1.46;;;;;DOPC;MDCG;27;0;"MARTINI bead: SN0_SP1";;;;;;;0.34;;-1.53;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM429017;MM429017;CC=C(CN)C1OC1CO;RFVBBCAVONXOIX-UHFFFAOYSA-N;143.19;-0.35;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_SP2";;;;;;;-0.24;;-5.32;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM429018;MM429018;CC=CC1=NC(=NC)N=C1;SRJJSVQIERTKMB-UHFFFAOYSA-N;135.17;1.07;;;;;DOPC;MDCG;27;0;"MARTINI bead: SN0_SP1";;;;;;;0.34;;-1.53;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM429019;MM429019;C=CCC=CC(CC)=NN;ZOVCFEYMVXOUOS-UHFFFAOYSA-N;138.21;1.84;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_C3";;;;;;;3.34;;0.48;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM429020;MM429020;C#CC1(CCOC=C)CN1;ZHZGVEFUWPORQV-UHFFFAOYSA-N;137.18;0.51;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_SP1";;;;;;;0.04;;-2.54;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM429021;MM429021;CN1CCC2(CO)CC1C2;LMWYIXJWIDWCHV-UHFFFAOYSA-N;141.21;0.46;;;;;DOPC;MDCG;27;1;"MARTINI bead: SNd_SNda";;;;;;;0.87;;-3.56;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM429022;MM429022;CC(C)c1ccn(C=O)n1;OMOXGPNPWLNNRM-UHFFFAOYSA-N;138.17;1.04;;;;;DOPC;MDCG;27;0;"MARTINI bead: SN0_SP1";;;;;;;0.34;;-1.53;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM429023;MM429023;CC=C(CF)C1OC1CO;HRNNQXYPJRGNQD-UHFFFAOYSA-N;146.16;0.66;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4_SP2";;;;;;;1.09;;-0.38;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM429024;MM429024;CN=C1N=CC(C=CN)=N1;XNJFDLHNDNBCBQ-UHFFFAOYSA-N;136.16;-0.03;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP1_SP1";;;;;;;-0.79;;-3.13;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM429025;MM429025;NN=c1onnc(N)c1F;GFKXWIFGRYJPEM-UHFFFAOYSA-N;145.1;-1.43;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP1_SP2";;;;;;;-1.06;;-3.82;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM429026;MM429026;C#CC1(CCOC=O)CN1;KWZBBBLHZDSWIE-UHFFFAOYSA-N;139.15;-0.48;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_SP1";;;;;;;-0.79;;-3.13;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM429027;MM429027;CN1CCC2(CF)CC1C2;PKOZEZMNGSWIMH-UHFFFAOYSA-N;143.21;1.44;;;;;DOPC;MDCG;27;1;"MARTINI bead: SNd_SC4";;;;;;;2.2;;-2.18;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM429028;MM429028;C=Nn1ccc(C(C)C)n1;ZXHQBACHQBUEQX-UHFFFAOYSA-N;137.19;1.47;;;;;DOPC;MDCG;27;0;"MARTINI bead: SN0_SP1";;;;;;;0.34;;-1.53;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM429029;MM429029;NCC(=CF)C1OC1CF;VGHUFUZDSSTONB-UHFFFAOYSA-N;149.14;0.54;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1_SNa";;;;;;;0.04;;-4.62;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM429030;MM429030;Nc1n[nH]c(N)c1N;WXFKWEVAPSWLOI-UHFFFAOYSA-N;113.12;-0.84;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP1_SP2";;;;;;;-1.06;;-3.82;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM429031;MM429031;CCC(C=CCC=O)=NO;WFAKQZWRUNFTCM-UHFFFAOYSA-N;141.17;1.37;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda_Na";;;;;;;0.87;;-1.99;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM429032;MM429032;C=Cn1ncc(C(C)C)n1;ICJRJIDIZDMKHR-UHFFFAOYSA-N;137.19;1.5;;;;;DOPC;MDCG;27;0;"MARTINI bead: SN0_SNa";;;;;;;1.17;;-1.18;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM429033;MM429033;C#CC1(CCON=C)CN1;FUHZBVFPIQBEDQ-UHFFFAOYSA-N;138.17;-0.02;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_SP1";;;;;;;-0.79;;-3.13;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM429034;MM429034;CNC12CCN(C)C(C1)C2;WBMIFKLXQFIRBO-UHFFFAOYSA-N;140.23;0.44;;;;;DOPC;MDCG;27;1;"MARTINI bead: SNd_SNd";;;;;;;0.87;;-4.99;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM429035;MM429035;N#CC(=N)NC=C(F)CF;OCCXTCMHUHWNAA-UHFFFAOYSA-N;145.11;0.86;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_P2";;;;;;;0.54;;-1.09;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM429036;MM429036;CCC(C=CCC#N)=NO;UHZOAXABAGJCLU-UHFFFAOYSA-N;138.17;1.7;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda_N0";;;;;;;1.17;;-1.13;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM429037;MM429037;N=CC=C1C=NC(=NN)N1;WOALWYHSGWSZJD-UHFFFAOYSA-N;137.15;-0.58;;;;;DOPC;MDCG;27;1;"MARTINI bead: SP2_SP1";;;;;;;-1.06;;-5.6;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM429038;MM429038;CC(C)c1cnn(C=N)n1;ITQSGWRYFRUCRS-UHFFFAOYSA-N;138.17;0.86;;;;;DOPC;MDCG;27;0;"MARTINI bead: SN0_SP2";;;;;;;0.06;;-2.21;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM429039;MM429039;COC12CCN(C)C(C1)C2;UXONEWTWALPRST-UHFFFAOYSA-N;141.21;0.87;;;;;DOPC;MDCG;27;1;"MARTINI bead: SC5_SNd";;;;;;;1.64;;-2.53;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM429040;MM429040;C#CC1(CNCC=C)CN1;BXAMOKYRBMMBSS-UHFFFAOYSA-N;136.2;-0.26;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_SP3";;;;;;;-1.1;;-5;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM429041;MM429041;N#CC(O)C(N)=CC(=O)O;IAGKVSKMGPQCDE-UHFFFAOYSA-N;142.11;-1.2;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_P1";;;;;;;-1.06;;-9.08;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM429042;MM429042;CCC(C=CNC=N)=NN;ZLOZOYLENZJATL-UHFFFAOYSA-N;140.19;0.42;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_P2";;;;;;;-0.24;;-6.68;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM429043;MM429043;CC=CC1=NC(=NO)N=C1;GUJXKYLPMRWXRF-UHFFFAOYSA-N;137.14;0.83;;;;;DOPC;MDCG;27;0;"MARTINI bead: SN0_SP1";;;;;;;0.34;;-1.53;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM429044;MM429044;C=CC12CCN(C)C(C1)C2;HSYGMVYYOLIYDB-UHFFFAOYSA-N;137.23;1.66;;;;;DOPC;MDCG;27;1;"MARTINI bead: SNd_SC3";;;;;;;2.57;;-1.59;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM429045;MM429045;CC(C)c1cnn(C=O)n1;ZXGDJXZXOFYAHJ-UHFFFAOYSA-N;139.16;0.44;;;;;DOPC;MDCG;27;0;"MARTINI bead: SN0_SP2";;;;;;;0.06;;-2.21;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM429046;MM429046;C#CC1(CNCC#N)CN1;ZTLGHBVDZOQDGR-UHFFFAOYSA-N;135.17;-0.93;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP3_P2";;;;;;;-2.2;;-5.19;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM429047;MM429047;CCC1OC1C(CF)=NN;WNABGPCPFJWXSF-UHFFFAOYSA-N;146.17;0.45;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNa_P1";;;;;;;0.04;;-2.54;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM429048;MM429048;NC=CC1=NC(=NO)N=C1;QKAHPBIEXRAPQN-UHFFFAOYSA-N;138.13;-0.27;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP1_SP1";;;;;;;-0.79;;-3.13;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM429049;MM429049;C#CC(=O)C1C(C)N1CC;WEFMHCMDDZHBSI-UHFFFAOYSA-N;137.18;0.28;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNd_P1";;;;;;;0.04;;-2.63;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM429050;MM429050;CC(C)c1ncn(C=O)n1;OQOGBSICWHGORV-UHFFFAOYSA-N;139.16;0.44;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNa_SP2";;;;;;;-0.24;;-3.24;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM429051;MM429051;CN1CCC2(C=O)CC1C2;DRPSKNWNJGDWRR-UHFFFAOYSA-N;139.2;0.67;;;;;DOPC;MDCG;27;1;"MARTINI bead: SNd_SNa";;;;;;;0.87;;-3;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM429052;MM429052;C#CC1(CNNC=N)CN1;LZIPJFMGAMBCLB-UHFFFAOYSA-N;138.17;-1.34;;;;;DOPC;MDCG;27;1;"MARTINI bead: P4_SP1";;;;;;;-2.01;;-7.97;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM429053;MM429053;CCC(=NN)C1OC1CF;LQONDCKTQUPYNG-UHFFFAOYSA-N;146.17;0.45;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nd_SNa";;;;;;;0.87;;-1.88;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM429054;MM429054;CC=CC1=NC(=NC)C=N1;DRYBXZKSQSLJEE-UHFFFAOYSA-N;135.17;1.07;;;;;DOPC;MDCG;27;0;"MARTINI bead: SN0_SP1";;;;;;;0.34;;-1.53;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM429055;MM429055;CCC(C=CNC=O)=NO;JWAIQUJTZBVBOZ-UHFFFAOYSA-N;142.16;0.49;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda_P2";;;;;;;-0.24;;-3.31;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM429056;MM429056;C=Nn1cnc(C(C)C)n1;CZUWNZDBODOMNJ-UHFFFAOYSA-N;138.17;0.87;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNa_SP2";;;;;;;-0.24;;-3.24;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM429057;MM429057;C#CC12CCN(C)C(C1)C2;LTRHYUNBDANRBF-UHFFFAOYSA-N;135.21;1.1;;;;;DOPC;MDCG;27;1;"MARTINI bead: SNd_SC4";;;;;;;2.2;;-2.22;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM429058;MM429058;N=Cn1nnc(=NN)o1;JDZJRPOSJUGHEO-UHFFFAOYSA-N;128.1;-1.9;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP2_SP3";;;;;;;-2.2;;-5.19;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM429059;MM429059;CCC1OC1C(=NO)NN;VGUIIZACZLQMHL-UHFFFAOYSA-N;145.16;-0.59;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNa_P4";;;;;;;-1.19;;-4.76;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM429060;MM429060;N=CNC=CC(CO)=NN;NJFTZLWJXOBMSP-UHFFFAOYSA-N;142.16;-1;;;;;DOPC;MDCG;27;1;"MARTINI bead: P2_P2";;;;;;;-1.34;;-7.78;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM429061;MM429061;CN=C1C=NC(C=CN)=N1;PMVXUPBIEYMDLV-UHFFFAOYSA-N;136.16;-0.03;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP1_SNd";;;;;;;0.04;;-2.63;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM429062;MM429062;C=C1CCC2(CC)CC1C2;JOICLTAAQIVCTP-UHFFFAOYSA-N;136.24;3.14;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC1_SC3";;;;;;;4.61;;0.31;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM429063;MM429063;C=C1COC(=NN)OC1;ZBIXEXWRUJLJFC-UHFFFAOYSA-N;128.13;-0.18;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP1_SP1";;;;;;;-0.79;;-3.13;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM429064;MM429064;C=Cn1nnc(C(C)C)n1;VVDWJNZXGWXJQC-UHFFFAOYSA-N;138.17;0.9;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNa_SP1";;;;;;;0.04;;-2.54;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM429065;MM429065;CN=C(NC)C1OC1CO;YYFWECCSNZGEIU-UHFFFAOYSA-N;144.17;-1.01;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1_SP2";;;;;;;-1.06;;-6.5;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM429066;MM429066;CC=Cc1nc(N=N)c[nH]1;NGXFIPUSRXZZOW-UHFFFAOYSA-N;136.16;2.11;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNd_SP2";;;;;;;-0.24;;-3.16;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM429067;MM429067;CCCC1CN1C(C)C=O;FRLVLDCFJNTVMK-UHFFFAOYSA-N;141.21;1.06;;;;;DOPC;MDCG;27;0;"MARTINI bead: SN0_P2";;;;;;;0.06;;-2.21;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM429068;MM429068;C=C1CCC2(CN)CC1C2;QCKFFHOUVNYFJV-UHFFFAOYSA-N;137.23;1.69;;;;;DOPC;MDCG;27;1;"MARTINI bead: SNd_SC3";;;;;;;2.57;;-1.21;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM429069;MM429069;CC(C)c1nnn(C=N)n1;QECZZZCDOIXXDU-UHFFFAOYSA-N;139.16;0.25;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNa_SP2";;;;;;;-0.24;;-3.24;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM429070;MM429070;C#CC1(COCC#N)CN1;BXBBTENZFRGFQM-UHFFFAOYSA-N;136.15;-0.5;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP3_P1";;;;;;;-1.93;;-4.72;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM429071;MM429071;CN=C(NC)C1OC1CF;CNCLUBVFZKSEHY-UHFFFAOYSA-N;146.17;-0.03;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1_SNa";;;;;;;0.04;;-5.22;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM429072;MM429072;C=COC=CC(CC)=NN;DSRGAJSAKSQOGC-UHFFFAOYSA-N;140.19;1.38;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_Na";;;;;;;1.64;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM429073;MM429073;NN=C1CC2CC2O1;UTRKQBHGBJSQPV-UHFFFAOYSA-N;112.13;0.07;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNda_SN0";;;;;;;1.17;;-1.13;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM429074;MM429074;CC(C)=NN=CC=NN;OEAYEDVNOOVCPR-UHFFFAOYSA-N;126.16;0.4;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_P1";;;;;;;0.81;;-0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM429075;MM429075;C#CC1C=CC(C(C)C)=C1;VEUCIJORBNMITB-UHFFFAOYSA-N;132.21;2.39;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC3_SN0";;;;;;;2.87;;0.37;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM429076;MM429076;C#CC(F)CON=COC;HLGHYLQNXUURHH-UHFFFAOYSA-N;145.13;0.56;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_C5";;;;;;;0.54;;-1.09;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM429077;MM429077;C#CC1(CCCC=C)CO1;IHLJVNLPFIPAQE-UHFFFAOYSA-N;136.19;1.74;;;;;DOPC;MDCG;27;0;"MARTINI bead: C3_SNa";;;;;;;2.57;;0.45;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM429078;MM429078;C=COC=CC(CC)=NO;PAUOWMBGMHMLBW-UHFFFAOYSA-N;141.17;1.9;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda_C5";;;;;;;1.64;;0.05;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM429079;MM429079;CC=Cc1nc(N=O)c[nH]1;SFTAPTRHIIPGIT-UHFFFAOYSA-N;137.14;1.84;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNd_SP1";;;;;;;0.04;;-2.63;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM429080;MM429080;C=C1CCC2(CF)CC1C2;HPTWBWQCPOQKND-UHFFFAOYSA-N;140.2;2.7;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC4_SC3";;;;;;;3.9;;0.47;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM429081;MM429081;C=C(C)C1=CC(CC)C=C1;WNPRCPYQEDAOMI-UHFFFAOYSA-N;134.22;3.08;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC3_SC3";;;;;;;4.27;;0.2;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM429082;MM429082;CC=C(OC)C1OC1CC;BKTKTOLNACFANH-UHFFFAOYSA-N;142.2;1.71;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNa_C5";;;;;;;1.64;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM429083;MM429083;C#CC1(CCCC#N)CO1;IKGTYXPFLRWOEF-UHFFFAOYSA-N;135.17;1.08;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNa_P1";;;;;;;0.04;;-2.54;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM429084;MM429084;C=CCC1CN1C(C)C=O;OOXBWYPUEBXXDO-UHFFFAOYSA-N;139.2;0.83;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_SN0";;;;;;;0.06;;-2.21;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM429085;MM429085;NC=Cc1nc(N=O)c[nH]1;UEDPEHUCKREEAP-UHFFFAOYSA-N;138.13;0.74;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP1_SP1";;;;;;;-0.79;;-3.13;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM429086;MM429086;CCC12CCC(=O)C(C1)C2;PTEXOPNGCNPVFL-UHFFFAOYSA-N;138.21;2.16;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC1_SNa";;;;;;;2.91;;0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM429087;MM429087;C#CC1(CCNC=N)CO1;FHPKKAIMVOZZIC-UHFFFAOYSA-N;138.17;-0.02;;;;;DOPC;MDCG;27;1;"MARTINI bead: P3_SNa";;;;;;;-1.1;;-8.14;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM429088;MM429088;C=C(C)C1=CC(CN)C=C1;DHCCCYZFIGYRDF-UHFFFAOYSA-N;135.21;1.63;;;;;DOPC;MDCG;27;1;"MARTINI bead: SC3_SNd";;;;;;;2.57;;-1.45;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM429089;MM429089;CCC1OC1C(=CF)OC;VRUBGWDBSCRMJT-UHFFFAOYSA-N;146.16;1.62;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNa_N0";;;;;;;1.17;;-1.18;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM429090;MM429090;C=COC=CC(CF)=NN;FAIYQISCVKVCIS-UHFFFAOYSA-N;144.15;0.94;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda_Na";;;;;;;0.87;;-1.99;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM429091;MM429091;CC#CC1=CC(=CC)C=C1;QGCBEEMMUYOPNL-UHFFFAOYSA-N;130.19;2.45;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC4_SC4";;;;;;;3.53;;0.53;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM429092;MM429092;C=C(C)C1=CC(CO)C=C1;CRWHDXBJTNIZDO-UHFFFAOYSA-N;136.19;1.67;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC3_SNda";;;;;;;2.57;;0.44;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM429093;MM429093;C#CC1(CCNC=O)CO1;CDCOCFMPGCJYLM-UHFFFAOYSA-N;139.15;-0.48;;;;;DOPC;MDCG;27;0;"MARTINI bead: P3_SNa";;;;;;;-1.1;;-4.2;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM429094;MM429094;CCON=C(C)C=NN;GOWWUUOMGQTQKA-UHFFFAOYSA-N;129.16;0.34;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_P1";;;;;;;0.81;;-0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM429095;MM429095;C=CCC=CC(=NC)NC;BLJIRRXSXABYFN-UHFFFAOYSA-N;138.21;1.37;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_C3";;;;;;;2.57;;-3.08;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM429096;MM429096;CCC(=CF)C1CN1CC;XSELGSUSRLQNPD-UHFFFAOYSA-N;143.21;1.95;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNd_C3";;;;;;;2.57;;0.54;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM429097;MM429097;CC#CC1=CC(=CF)C=C1;VKITWPVAJJSIBW-UHFFFAOYSA-N;134.15;2.36;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC4_SC5";;;;;;;2.97;;0.45;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM429098;MM429098;O=C1CCC2(CF)CC1C2;MXUZNJPBXGGSKJ-UHFFFAOYSA-N;142.17;1.72;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC4_SNa";;;;;;;2.2;;0.34;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM429099;MM429099;C=C(C)C1=CC(CF)C=C1;VKXGYFSIMMQXOQ-UHFFFAOYSA-N;138.19;2.64;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC3_SC5";;;;;;;3.34;;0.48;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM429100;MM429100;C#CC1(CCNN=C)CO1;HOJVPSHWWLADKZ-UHFFFAOYSA-N;138.17;-0.02;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_SNa";;;;;;;-0.24;;-3.24;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM429101;MM429101;N#CCC=CC(=NO)NO;NWIINWQPKYUPRG-UHFFFAOYSA-N;141.13;0.22;;;;;DOPC;MDCG;27;0;"MARTINI bead: P4_N0";;;;;;;-0.88;;-3.74;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM429102;MM429102;C#CC=NOCC(F)C#C;JSDRTHWLBFLPFK-UHFFFAOYSA-N;139.13;0.59;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_Na";;;;;;;0.87;;-2.22;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM429103;MM429103;CC#CC1=CC(=NN)C=C1;JJMDWQWKYRVUCZ-UHFFFAOYSA-N;132.17;0.82;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC4_SNd";;;;;;;2.2;;0.32;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM429104;MM429104;C=C(C)C1=CC(NC)C=C1;UTOOEHKGTXPJDA-UHFFFAOYSA-N;135.21;1.65;;;;;DOPC;MDCG;27;1;"MARTINI bead: SNd_SC3";;;;;;;2.57;;-0.38;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM429105;MM429105;C=C1CCC2(NC)CC1C2;QUEOVTIYJNNHGU-UHFFFAOYSA-N;137.23;1.7;;;;;DOPC;MDCG;27;1;"MARTINI bead: SNd_SC3";;;;;;;2.57;;-1.83;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM429106;MM429106;C#CC1(CCOC=C)CO1;IOLYTANBAZJXOY-UHFFFAOYSA-N;138.17;0.94;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_SNa";;;;;;;0.87;;-2.22;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM429107;MM429107;CN=C(C=CNC=N)NN;VQDSTIHPAVPYIP-UHFFFAOYSA-N;141.18;-0.81;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_P3";;;;;;;-1.1;;-7.27;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM429108;MM429108;CC=C(CF)C1CN1CC;OPKAERSSEFCKGG-UHFFFAOYSA-N;143.21;1.61;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNd_C4";;;;;;;2.2;;0.33;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM429109;MM429109;CC#CC1=CC(=NO)C=C1;CUJJHPQXMXIUMC-UHFFFAOYSA-N;133.15;1.34;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC4_SNda";;;;;;;2.2;;0.5;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM429110;MM429110;C=C(C)C1=CC(OC)C=C1;JLYMIOBXHGTUGN-UHFFFAOYSA-N;136.19;2.07;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNa_SC3";;;;;;;2.57;;0.45;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM429111;MM429111;CNC12CCC(=O)C(C1)C2;KLKZAJOUIKYZIM-UHFFFAOYSA-N;139.2;0.72;;;;;DOPC;MDCG;27;1;"MARTINI bead: SNd_SNa";;;;;;;0.87;;-4.69;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM429112;MM429112;CN=C(C=CNC=O)NO;DDQAVSUFAMAWHX-UHFFFAOYSA-N;143.15;-0.75;;;;;DOPC;MDCG;27;1;"MARTINI bead: P2_P2";;;;;;;-1.34;;-5.45;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM429113;MM429113;C#CC1(CCOC=O)CO1;CUIXNLKOTLTAHX-UHFFFAOYSA-N;140.14;-0.05;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_SNa";;;;;;;0.04;;-2.54;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM429114;MM429114;CCC(=NN)C1CN1CC;LBZJTPGSDVECDK-UHFFFAOYSA-N;141.22;0.42;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNd_Nd";;;;;;;0.87;;-2.11;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM429115;MM429115;CC#CC1=CC(=NC)N=C1;FHYCARNDRFCKFY-UHFFFAOYSA-N;132.17;1.05;;;;;DOPC;MDCG;27;0;"MARTINI bead: SN0_SC5";;;;;;;1.94;;0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM429116;MM429116;C=C(C)c1ccn(CC)c1;QZNRRPKMROOTHT-UHFFFAOYSA-N;135.21;2.54;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC5_SC5";;;;;;;2.41;;0.64;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM429117;MM429117;C=C1CCC2(OC)CC1C2;YDXSZPRZVCOOEY-UHFFFAOYSA-N;138.21;2.13;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC5_SC3";;;;;;;3.34;;0.48;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM429118;MM429118;C#CC1(CNCC=C)CO1;YHXGYNBORRGVOS-UHFFFAOYSA-N;137.18;0.16;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_SNa";;;;;;;0.87;;-3.03;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM429119;MM429119;N=CNC=CC(=NN)NO;HMQSNTMEYWKBCV-UHFFFAOYSA-N;143.15;-1.05;;;;;DOPC;MDCG;27;1;"MARTINI bead: P2_P3";;;;;;;-2.2;;-8.39;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM429120;MM429120;C=NNC=NCC(F)=CC;KTTIDSHESXAXTC-UHFFFAOYSA-N;143.17;1.09;;;;;DOPC;MDCG;27;0;"MARTINI bead: C3_P2";;;;;;;1.46;;-0.15;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM429121;MM429121;CC(=NN)OC(C)(C)C;MUDADDINGSUQFT-UHFFFAOYSA-N;130.19;1.09;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_C3";;;;;;;1.46;;-0.15;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM429122;MM429122;C=C(C)c1ccn(NC)c1;YMPQFTVGHVHFLD-UHFFFAOYSA-N;136.2;1.69;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNd_SC5";;;;;;;1.64;;0.02;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM429123;MM429123;COC12CCC(=O)C(C1)C2;CZMKFHLWAHYPHB-UHFFFAOYSA-N;140.18;1.14;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC5_SNa";;;;;;;1.64;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM429124;MM429124;C#CC1(COCC=C)CO1;PQDHPRNWVYYCOE-UHFFFAOYSA-N;138.17;0.59;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_SNa";;;;;;;0.87;;-2.22;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM429125;MM429125;C#CC(=O)C1CN1CCC;ORTSBZATTONIIE-UHFFFAOYSA-N;137.18;0.28;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNd_P1";;;;;;;0.04;;-2.63;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM429126;MM429126;CCN1CC1C(=NC)NC;SZBVVWPYGFJZSY-UHFFFAOYSA-N;141.22;-0.06;;;;;DOPC;MDCG;27;1;"MARTINI bead: SNd_P1";;;;;;;0.04;;-5.63;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM429127;MM429127;C=C(C)c1ccn(OC)c1;GQBYSXATQPNUJZ-UHFFFAOYSA-N;137.18;1.58;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNa_SC5";;;;;;;1.64;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM429128;MM429128;C=C1CCC2(CF)CC1N2;SFPMQYCCCJWQLI-UHFFFAOYSA-N;141.19;1.41;;;;;DOPC;MDCG;27;1;"MARTINI bead: SNda_SC3";;;;;;;2.57;;-0.07;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM429129;MM429129;CC#Cc1c[nH]c(N=O)c1;ZSFOOKNOVDZOSX-UHFFFAOYSA-N;134.14;1.78;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC5_SNd";;;;;;;1.64;;0.02;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM429130;MM429130;C#CC1(COCC=O)CO1;GOAVAEPJAAIJGM-UHFFFAOYSA-N;140.14;-0.4;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_SNa";;;;;;;0.04;;-2.54;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM429131;MM429131;N=CNC=CC(=NO)NO;HHZVGKXWJWVQLG-UHFFFAOYSA-N;144.13;-0.54;;;;;DOPC;MDCG;27;1;"MARTINI bead: P2_P3";;;;;;;-2.2;;-8.26;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM429132;MM429132;N#CCNN=CC(F)=CF;RPHWQMOQYSVGAR-UHFFFAOYSA-N;145.11;0.87;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_P1";;;;;;;0.81;;-0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM429133;MM429133;C=C(C)c1cnn(CC)c1;OOCLADOHGRAPEM-UHFFFAOYSA-N;136.2;1.94;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNa_SN0";;;;;;;1.17;;-1.18;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM429134;MM429134;CC#Cc1cc(N=O)c[nH]1;KPDOHUMPQKCITQ-UHFFFAOYSA-N;134.14;1.78;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC5_SN0";;;;;;;1.94;;0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM429135;MM429135;CCC12CCC(=O)C(C1)N2;ISADZQHMIILTJC-UHFFFAOYSA-N;139.2;0.86;;;;;DOPC;MDCG;27;1;"MARTINI bead: SNd_SNa";;;;;;;0.87;;-3.39;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM429136;MM429136;O=CNC=CC(=NO)NO;CBIFPEWQZZWGPZ-UHFFFAOYSA-N;145.12;-0.99;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_P3";;;;;;;-2.2;;-5.19;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM429137;MM429137;C#CC1(COCC#N)CO1;FTJOZPMJWQKUDG-UHFFFAOYSA-N;137.14;-0.07;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNa_P1";;;;;;;0.04;;-2.54;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM429138;MM429138;C#CC(C)=CN=CNN=C;FIZFLZSDMKCGGO-UHFFFAOYSA-N;135.17;0.76;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_P2";;;;;;;0.54;;-1.09;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM429139;MM429139;CC#CC1=NC(=NC)C=C1;BKMXSOATAJBOBW-UHFFFAOYSA-N;132.17;1.05;;;;;DOPC;MDCG;27;0;"MARTINI bead: SN0_SC5";;;;;;;1.94;;0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM429140;MM429140;C=C(C)c1cn(CC)cn1;VJUQQGJPGZLZGL-UHFFFAOYSA-N;136.2;1.94;;;;;DOPC;MDCG;27;0;"MARTINI bead: SN0_SNa";;;;;;;1.17;;-1.18;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM429141;MM429141;CCC12CCC(=O)C(C1)O2;CNXNANBNJIEMQB-UHFFFAOYSA-N;140.18;1.29;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC5_SNa";;;;;;;1.64;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM429142;MM429142;C=NNC=CC(=NC)NN;LXHVKGNTNFUJQN-UHFFFAOYSA-N;141.18;-0.8;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_P2";;;;;;;-0.24;;-5.34;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM429143;MM429143;C#CC1(CONC=O)CO1;JMQVERNJUDETGW-UHFFFAOYSA-N;141.13;-0.93;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_SNa";;;;;;;-0.24;;-3.24;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM429144;MM429144;CCC(=NC)N1CC1CN;TXUSWAYMVOAXRL-UHFFFAOYSA-N;141.22;0.07;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_SP2";;;;;;;-0.24;;-6.13;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM429145;MM429145;COC(=NN)C(C)(C)C;OQKJBONCGKKFDP-UHFFFAOYSA-N;130.19;0.95;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_C3";;;;;;;1.74;;0.29;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM429146;MM429146;C=C(C)c1cn(NC)cn1;BZMTWDOOOMCHLV-UHFFFAOYSA-N;137.19;1.09;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP2_SNa";;;;;;;-0.24;;-3.24;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM429147;MM429147;C=COC=CC(=NC)NC;CGVZEHCPCASJSW-UHFFFAOYSA-N;140.19;0.91;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_Na";;;;;;;0.87;;-5.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM429148;MM429148;O=C1CCC2(CO)CC1O2;MCAFTQGPLPZIEB-UHFFFAOYSA-N;142.15;-0.13;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP1_SNa";;;;;;;0.04;;-2.54;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM429149;MM429149;C#CCCCC1(C#C)CC1;DKDVJLOTBNGYJN-UHFFFAOYSA-N;132.21;2.2;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_SC5";;;;;;;2.41;;0.64;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM429150;MM429150;CN=C(CO)N1CC1CN;GFUBZPDRXZEPTL-UHFFFAOYSA-N;143.19;-1.35;;;;;DOPC;MDCG;27;1;"MARTINI bead: P2_SP2";;;;;;;-1.34;;-5.93;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM429151;MM429151;CC#Cc1ccc(N=O)[nH]1;FEDYRBLEPMOAJD-UHFFFAOYSA-N;134.14;1.78;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC5_SN0";;;;;;;1.94;;0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM429152;MM429152;C=C(C)c1cn(OC)cn1;YXRWYHYOSXJVHN-UHFFFAOYSA-N;138.17;0.97;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP1_SNa";;;;;;;0.04;;-2.54;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM429153;MM429153;C=COC=CC(=NC)NN;WWKCAYUPRZLJKD-UHFFFAOYSA-N;141.17;0.15;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_Na";;;;;;;0.87;;-3.38;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM429154;MM429154;O=C1CCC2(CF)CC1O2;JFDACPCHTXWKJB-UHFFFAOYSA-N;144.15;0.85;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNa_SNa";;;;;;;0.87;;-2.22;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM429155;MM429155;C#CCNCC1(C#C)CC1;GMYUSXQHLZJTFQ-UHFFFAOYSA-N;133.19;0.62;;;;;DOPC;MDCG;27;1;"MARTINI bead: P2_SC5";;;;;;;0.54;;-2.71;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM429156;MM429156;CCC1CN1C(=NC)NC;RJIUCTPKSVCSIN-UHFFFAOYSA-N;141.22;0.29;;;;;DOPC;MDCG;27;1;"MARTINI bead: SP1_P2";;;;;;;-1.06;;-8.28;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM429157;MM429157;CC#CC1=NC(=NC)N=C1;JIKUHLBSRHNLGC-UHFFFAOYSA-N;133.15;0.52;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP1_SN0";;;;;;;0.34;;-1.53;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM429158;MM429158;C=C(C)c1ccn(CC)n1;UFRJVKXJFBJRLR-UHFFFAOYSA-N;136.2;1.94;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNa_SN0";;;;;;;1.17;;-1.18;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM429159;MM429159;CN=C(C=COC=O)NN;UQHIMRBFTHHDQQ-UHFFFAOYSA-N;143.15;-0.84;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_P1";;;;;;;0.04;;-4.05;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM429160;MM429160;C=CC12CCC(=C)C(C1)C2;GEWKEBQERWAOSW-UHFFFAOYSA-N;134.22;2.92;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC3_SC3";;;;;;;4.27;;0.2;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM429161;MM429161;C#CCOCC1(C#C)CC1;JPZWCKXYBSSKLS-UHFFFAOYSA-N;134.18;1.05;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_SC5";;;;;;;1.64;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM429162;MM429162;CN=C(NN)N1CC1CO;AUXTXOMVVMZVMW-UHFFFAOYSA-N;144.18;-1.89;;;;;DOPC;MDCG;27;1;"MARTINI bead: P3_SP2";;;;;;;-2.2;;-8.34;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM429163;MM429163;CCC1CCC(C)(O)C1;YOJUJBIEBMDMAW-UHFFFAOYSA-N;128.22;1.95;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC1_SNda";;;;;;;2.91;;0.57;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM429164;MM429164;C=C(C)c1ccn(NC)n1;ACAGKQVTWCSGCV-UHFFFAOYSA-N;137.19;1.09;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP1_SN0";;;;;;;0.34;;-1.53;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM429165;MM429165;C#CC(=O)C1CN1CC=C;YEUAHQUAQVCPAF-UHFFFAOYSA-N;135.17;0.06;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNd_P1";;;;;;;0.04;;-2.63;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM429166;MM429166;C=C1CCC2(C=O)CC1C2;VXVIXNHPSMKTHA-UHFFFAOYSA-N;136.19;1.93;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC3_SNa";;;;;;;2.57;;0.45;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM429167;MM429167;C=CC(=CC)C1CC1CC;BDLNXCXAZUBXBN-UHFFFAOYSA-N;136.24;3.16;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC3_C1";;;;;;;4.61;;0.31;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM429168;MM429168;C#CCCNC1(C#C)CC1;HJQGZZFTWLDMDT-UHFFFAOYSA-N;133.19;0.77;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_SC5";;;;;;;1.64;;-1.15;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM429169;MM429169;CC#CC1=NC(=NC)C=N1;CAXITOKSYWFRFS-UHFFFAOYSA-N;133.15;0.52;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP1_SN0";;;;;;;0.34;;-1.53;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM429170;MM429170;C=CCC=CC(=CC)OC;ZWTOQNSGZWUOHL-UHFFFAOYSA-N;138.21;2.67;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_C2";;;;;;;3.6;;0.34;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM429171;MM429171;C=C(C)c1ccn(OC)n1;HOGGGTITPPXQQA-UHFFFAOYSA-N;138.17;0.97;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNa_SN0";;;;;;;1.17;;-1.18;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM429172;MM429172;C=C1CCC2(C#N)CC1C2;ZEGTZEOURCPXNU-UHFFFAOYSA-N;133.19;2.26;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC3_SC5";;;;;;;3.34;;0.48;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM429173;MM429173;C#CCCOC1(C#C)CC1;RGJMCBIBUZUXDL-UHFFFAOYSA-N;134.18;1.19;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_SP1";;;;;;;0.81;;-0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM429174;MM429174;CC=C(C=O)C1CC1CC;KQMVCCMHPGPMOA-UHFFFAOYSA-N;138.21;2.18;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC3_Na";;;;;;;2.57;;0.45;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM429175;MM429175;CC#Cc1nc(N=N)c[nH]1;NBLWISKNUHJOTM-UHFFFAOYSA-N;134.14;1.44;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNd_SP2";;;;;;;-0.24;;-3.16;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM429176;MM429176;CC=C(C=CCC=O)OC;YNCOOVYQDJQONV-UHFFFAOYSA-N;140.18;1.68;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_Na";;;;;;;1.64;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM429177;MM429177;C=CC12CCC(=O)C(C1)C2;CACPJGKSQGHBSB-UHFFFAOYSA-N;136.19;1.93;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC3_SNa";;;;;;;2.57;;0.45;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM429178;MM429178;C#CCCCC1(C#C)CN1;CLVNRUASFFYOMX-UHFFFAOYSA-N;133.19;0.77;;;;;DOPC;MDCG;27;0;"MARTINI bead: C3_SP3";;;;;;;0.6;;-0.8;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM429179;MM429179;C=C(C)c1ncn(CC)n1;AUPDRXOJGRZGQQ-UHFFFAOYSA-N;137.19;1.33;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP1_SNa";;;;;;;0.04;;-2.54;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM429180;MM429180;CC=C(C#N)C1CC1CC;AMEHXXMKAPFHGJ-UHFFFAOYSA-N;135.21;2.5;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC3_C5";;;;;;;3.34;;0.48;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM429181;MM429181;CCCC1=CC(CC)=CC1;AFYIECICFFATRY-UHFFFAOYSA-N;136.24;3.45;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC1_SC3";;;;;;;4.61;;0.31;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM429182;MM429182;C=CC1C=CC(C(=C)C)=C1;RYPYUEPMJHQPSY-UHFFFAOYSA-N;132.21;2.86;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC3_SC4";;;;;;;3.9;;0.47;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM429183;MM429183;C#CCCCC1(C#C)CO1;CBSHUTGJWXKRQY-UHFFFAOYSA-N;134.18;1.19;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_SNa";;;;;;;1.64;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM429184;MM429184;C=C1CCC2(C#N)CC1N2;HKLMPAYKTMLISY-UHFFFAOYSA-N;134.18;0.96;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC3_SP1";;;;;;;1.74;;0.29;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM429185;MM429185;CC=C(C=CCC#N)OC;XSQVNBZNXASAMV-UHFFFAOYSA-N;137.18;2.01;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_N0";;;;;;;1.94;;0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM429186;MM429186;CCC1CC1C(C=O)=CN;BVYQQOMXAFRRSO-UHFFFAOYSA-N;139.2;1.07;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC3_P1";;;;;;;1.74;;0.29;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM429187;MM429187;CCC1=CCC(CCN)=C1;BDVXQBKBKBKNTQ-UHFFFAOYSA-N;137.23;2;;;;;DOPC;MDCG;27;1;"MARTINI bead: SC3_SNd";;;;;;;2.57;;-1.47;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM429188;MM429188;C=Cn1ccc(C(=C)C)c1;DFQSXYLATPCYMU-UHFFFAOYSA-N;133.19;2.62;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC5_SN0";;;;;;;1.94;;0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM429189;MM429189;CN(C=O)N=CC=NN;YUOSDMQDAKMAQF-UHFFFAOYSA-N;128.14;-1;;;;;DOPC;MDCG;27;0;"MARTINI bead: P4_Nd";;;;;;;-1.19;;-4.91;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM429190;MM429190;CC=C(C=CNC=N)OC;TXXIPTYBVWGRTO-UHFFFAOYSA-N;140.19;1.25;;;;;DOPC;MDCG;27;1;"MARTINI bead: C5_P2";;;;;;;0.54;;-4.56;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM429191;MM429191;C#CCOCC1(C#C)CO1;APJFQRSNZHNXCM-UHFFFAOYSA-N;136.15;0.04;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_SNa";;;;;;;0.87;;-2.22;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM429192;MM429192;CCCC1=CC(CN)=CC1;YVXZNWCBRIXVDH-UHFFFAOYSA-N;137.23;2;;;;;DOPC;MDCG;27;1;"MARTINI bead: SC1_SNd";;;;;;;2.91;;-0.05;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM429193;MM429193;CCC1CC1C(C#N)=CN;JFYWAHXCLDNLIN-UHFFFAOYSA-N;136.2;1.4;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC3_P1";;;;;;;1.74;;0.29;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM429194;MM429194;C=C(C)c1ccn(C=N)c1;KAFMNSNILWYHQB-UHFFFAOYSA-N;134.18;1.98;;;;;DOPC;MDCG;27;1;"MARTINI bead: SC5_SNd";;;;;;;1.64;;-2.98;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM429195;MM429195;C=CC12CCC(=C)C(C1)O2;OPPNYIBVDVLRGV-UHFFFAOYSA-N;136.19;2.05;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNa_SC3";;;;;;;2.57;;0.45;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM429196;MM429196;CC=C(C=CNC=O)OC;TXZIVKPPORJNGM-UHFFFAOYSA-N;141.17;0.8;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_P2";;;;;;;0.54;;-1.09;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM429197;MM429197;CC=CCCC1(CC)CC1;VHWYRASWKNDOLD-UHFFFAOYSA-N;138.25;3.53;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC3_C1";;;;;;;4.61;;0.31;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM429198;MM429198;NCCC1=CC(CN)=CC1;KWKHMKQTXUFLHN-UHFFFAOYSA-N;138.21;0.55;;;;;DOPC;MDCG;27;1;"MARTINI bead: SNd_SNd";;;;;;;0.87;;-4.98;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM429199;MM429199;CCC1CC1C(C#N)=CF;WQBMWIMUQFNNIT-UHFFFAOYSA-N;139.17;2.41;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC3_Na";;;;;;;2.57;;0.45;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM429200;MM429200;C=C(C)c1ccn(C=O)c1;LYDSKVMNLBCSFF-UHFFFAOYSA-N;135.17;1.56;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC5_SNa";;;;;;;1.64;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM429201;MM429201;C=C1CCC2(C#N)CC1O2;SLHWYAJTAWGGFA-UHFFFAOYSA-N;135.17;1.39;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC3_SNa";;;;;;;2.57;;0.45;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM429202;MM429202;COC(C=CNC=N)=CF;TUXFKQRXHXEUAN-UHFFFAOYSA-N;144.15;1.15;;;;;DOPC;MDCG;27;1;"MARTINI bead: C4_P3";;;;;;;0.23;;-4.37;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM429203;MM429203;CCC1(CCC=CF)CC1;DYAZTSVCQCJNEF-UHFFFAOYSA-N;142.22;3.44;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC3_C4";;;;;;;3.9;;0.47;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM429204;MM429204;C=CC(=CC)C1CC1CN;RWBYHWMSVKNBOV-UHFFFAOYSA-N;137.23;1.71;;;;;DOPC;MDCG;27;1;"MARTINI bead: C1_SNd";;;;;;;2.91;;-0.55;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM429205;MM429205;CCCC1=CC(CO)=CC1;IKVHTFOJGXIIMG-UHFFFAOYSA-N;138.21;2.04;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC1_SNda";;;;;;;2.91;;0.57;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM429206;MM429206;C=Nn1ccc(C(=C)C)c1;SXGWJUNEHQXVNJ-UHFFFAOYSA-N;134.18;1.98;;;;;DOPC;MDCG;27;1;"MARTINI bead: SC5_SN0";;;;;;;1.94;;-0.26;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM429207;MM429207;C=COC=CC(=CC)OC;JKTGPSRVVWSDJV-UHFFFAOYSA-N;140.18;2.21;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_C5";;;;;;;2.41;;0.64;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM429208;MM429208;N#CC12CCC(=O)C(C1)O2;AABQDVFOMSWPIC-UHFFFAOYSA-N;137.14;0.4;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNa_SNa";;;;;;;0.87;;-2.22;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM429209;MM429209;CC=CCCC1(CN)CC1;JYZJCQZRYRPXOG-UHFFFAOYSA-N;139.24;2.08;;;;;DOPC;MDCG;27;1;"MARTINI bead: C1_SNd";;;;;;;2.91;;-0.29;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM429210;MM429210;C=CC(=CF)C1CC1CN;CMAKLXCCOIWEIM-UHFFFAOYSA-N;141.19;1.62;;;;;DOPC;MDCG;27;1;"MARTINI bead: SNd_C2";;;;;;;2.83;;-0.74;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM429211;MM429211;NCCC1=CC(CO)=CC1;NVIHTGCURYSEGL-UHFFFAOYSA-N;139.2;0.58;;;;;DOPC;MDCG;27;1;"MARTINI bead: SNd_SNda";;;;;;;0.87;;-4.67;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM429212;MM429212;C=Cn1cc(C(=C)C)cn1;CKJKLLYCGKMBQX-UHFFFAOYSA-N;134.18;2.02;;;;;DOPC;MDCG;27;0;"MARTINI bead: SN0_SNa";;;;;;;1.17;;-1.18;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM429213;MM429213;C#CC12CCC(=O)C(C1)C2;OPUDNHPBQOTKIS-UHFFFAOYSA-N;134.18;1.38;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNa_SC4";;;;;;;2.2;;0.34;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM429214;MM429214;CC=C(C=COC=O)OC;XEZJZABKUBHBKP-UHFFFAOYSA-N;142.15;1.22;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_Na";;;;;;;1.64;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM429215;MM429215;NCC1(CCC=CF)CC1;HYMIYQQIYFVFFG-UHFFFAOYSA-N;143.21;1.99;;;;;DOPC;MDCG;27;1;"MARTINI bead: SNd_C4";;;;;;;2.2;;-1.92;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM429216;MM429216;C#CC(=NN=CC)NC=C;RTDSTHOEUCRSEE-UHFFFAOYSA-N;135.17;0.76;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4_P1";;;;;;;1.37;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM429217;MM429217;CCCC1=CC(CF)=CC1;PAFHNZUFJPHGPD-UHFFFAOYSA-N;140.2;3.01;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC1_SC5";;;;;;;3.68;;0.46;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM429218;MM429218;C=C(C)c1cnn(C=N)c1;BUMKXKIZODSMOD-UHFFFAOYSA-N;135.17;1.37;;;;;DOPC;MDCG;27;0;"MARTINI bead: SN0_SP1";;;;;;;0.34;;-1.53;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM429219;MM429219;C#CC12CCC(=C)C(C1)N2;AWGUJQOVIWYUCY-UHFFFAOYSA-N;133.19;1.07;;;;;DOPC;MDCG;27;1;"MARTINI bead: SC3_SNd";;;;;;;2.57;;-0.18;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM429220;MM429220;C=COC=CC(=CF)OC;ZOYIWUBYZGSXBK-UHFFFAOYSA-N;144.15;2.12;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_Na";;;;;;;1.64;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM429221;MM429221;C=C1C(=O)CC2C1N2C;LWWXUHARWAMQPN-UHFFFAOYSA-N;123.16;0.2;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNa_SP1";;;;;;;0.04;;-2.54;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM429222;MM429222;C=CC(C(=C)C)C(O)CC;WHEUYDNGRNNFJB-UHFFFAOYSA-N;140.23;2.14;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda_C1";;;;;;;2.91;;0.57;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM429223;MM429223;NCCC1=CC(CF)=CC1;XEUFOCXLRZWVKH-UHFFFAOYSA-N;141.19;1.56;;;;;DOPC;MDCG;27;1;"MARTINI bead: SNd_SC5";;;;;;;1.64;;-2.65;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM429224;MM429224;C#CC12CCC(=C)C(C1)O2;CLXUOOQWIHGJHQ-UHFFFAOYSA-N;134.18;1.5;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC3_SNa";;;;;;;2.57;;0.45;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM429225;MM429225;C=C(C)c1cnn(C=O)c1;GIBWCGMZFAPDRK-UHFFFAOYSA-N;136.15;0.95;;;;;DOPC;MDCG;27;0;"MARTINI bead: SN0_SP1";;;;;;;0.34;;-1.53;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM429226;MM429226;COC(C=COC=O)=CF;NSYXLPMNRLADOJ-UHFFFAOYSA-N;146.12;1.13;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_P1";;;;;;;0.81;;-0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM429227;MM429227;CNc1nn(C)nnc1=O;VYOLPVWKQWKNQH-UHFFFAOYSA-N;141.13;-1.39;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP1_SP4";;;;;;;-2.01;;-5.13;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM429228;MM429228;C=CC(C)=C(C)C(C)(C)O;HXBVMGMEQSSOIC-UHFFFAOYSA-N;140.23;2.28;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1_Nda";;;;;;;2.91;;0.57;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM429229;MM429229;CCC1=CCC(CNC)=C1;VIRXVCUBZPKEOI-UHFFFAOYSA-N;137.23;1.87;;;;;DOPC;MDCG;27;1;"MARTINI bead: SC3_SNd";;;;;;;2.57;;-1.22;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM429230;MM429230;C#CC12CCC(=O)C(C1)O2;CNJQIAHUEIDFGK-UHFFFAOYSA-N;136.15;0.51;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNa_SNa";;;;;;;0.87;;-2.22;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM429231;MM429231;COC(C=CNC=N)=NN;DIHPTANOVXIVTR-UHFFFAOYSA-N;142.16;-0.38;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nda_P3";;;;;;;-1.1;;-7.05;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM429232;MM429232;C=Nn1cc(C(=C)C)cn1;WOBNXFVALXPPPO-UHFFFAOYSA-N;135.17;1.38;;;;;DOPC;MDCG;27;0;"MARTINI bead: SN0_SP1";;;;;;;0.34;;-1.53;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM429233;MM429233;CCC1(CCC=NN)CC1;XOEFKGGAWJUBBF-UHFFFAOYSA-N;140.23;1.9;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC3_Nd";;;;;;;2.57;;0.53;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM429234;MM429234;N#CC#CC(=O)CN1CC1;UYYQKARAWMYERI-UHFFFAOYSA-N;134.14;-0.6;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP1_Na";;;;;;;0.04;;-2.54;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM429235;MM429235;CNCC1=CC(CN)=CC1;GIXYIQJZADADMW-UHFFFAOYSA-N;138.21;0.42;;;;;DOPC;MDCG;27;1;"MARTINI bead: SNd_SNd";;;;;;;0.87;;-4.79;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM429236;MM429236;C=Cn1cnc(C(=C)C)c1;BZIUDBYFOLHEDX-UHFFFAOYSA-N;134.18;2.02;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNa_SP1";;;;;;;0.04;;-2.54;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM429237;MM429237;CN1N=CC2(C#N)CC1C2;LICGXRYVXLQYNC-UHFFFAOYSA-N;135.17;0.59;;;;;DOPC;MDCG;27;0;"MARTINI bead: SN0_SC5";;;;;;;1.94;;0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM429238;MM429238;C=CC(=CF)C1CC1CF;SQMJNGUKMGZEOY-UHFFFAOYSA-N;144.16;2.63;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC5_C2";;;;;;;3.6;;0.34;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM429239;MM429239;COC(C=CNC=O)=NO;RHZBBNRJCJRBJJ-UHFFFAOYSA-N;144.13;-0.32;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda_P3";;;;;;;-1.1;;-3.97;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM429240;MM429240;CCC1(CCC=NO)CC1;YFNZRAHDUYYPGU-UHFFFAOYSA-N;141.21;2.42;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC3_P1";;;;;;;1.74;;0.29;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM429241;MM429241;CNCC1=CC(CO)=CC1;LCADNODEQKTQPU-UHFFFAOYSA-N;139.2;0.45;;;;;DOPC;MDCG;27;1;"MARTINI bead: SNd_SNda";;;;;;;0.87;;-4.42;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM429242;MM429242;C=C(C)c1cn(C=O)cn1;GVUAELOWNUNKPJ-UHFFFAOYSA-N;136.15;0.95;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNa_SP2";;;;;;;-0.24;;-3.24;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM429243;MM429243;C=NNC=CC(=NO)OC;ZHOVIBFKXBHBML-UHFFFAOYSA-N;143.15;0.14;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda_P2";;;;;;;-0.24;;-3.31;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM429244;MM429244;C=CC(=NN)C1CC1CC;PFHPZOPXRIXCMZ-UHFFFAOYSA-N;138.21;1.53;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC3_C5";;;;;;;3.34;;0.48;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM429245;MM429245;C#CC12C=NN(C)C(C1)C2;HENPKCZFJXUJJJ-UHFFFAOYSA-N;134.18;0.7;;;;;DOPC;MDCG;27;0;"MARTINI bead: SN0_SC4";;;;;;;2.5;;0.44;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM429246;MM429246;NCC1(CCC=NO)CC1;HBNZESFTKHWTBX-UHFFFAOYSA-N;142.2;0.97;;;;;DOPC;MDCG;27;1;"MARTINI bead: SNd_P1";;;;;;;0.04;;-5.04;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM429247;MM429247;CNCC1=CC(CF)=CC1;WNHQUAUEGAJMNF-UHFFFAOYSA-N;141.19;1.43;;;;;DOPC;MDCG;27;1;"MARTINI bead: SNd_SC5";;;;;;;1.64;;-2.4;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM429248;MM429248;COC(=NN)OC(C)(C)C;NRGQAYBACSWKKW-UHFFFAOYSA-N;146.19;0.68;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_C3";;;;;;;1.46;;-0.15;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM429249;MM429249;N#CC(=NO)C(=O)C(=O)O;NLSHTRZJCDIZLG-UHFFFAOYSA-N;142.07;-1.01;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_P1";;;;;;;-0.79;;-9.04;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM429250;MM429250;C=Cn1ccc(C(=C)C)n1;JHKCBCHHPASWQG-UHFFFAOYSA-N;134.18;2.02;;;;;DOPC;MDCG;27;0;"MARTINI bead: SN0_SNa";;;;;;;1.17;;-1.18;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM429251;MM429251;C=C1C=CC2(C#N)CC1C2;BPNFPKDSGUHVKL-UHFFFAOYSA-N;131.18;2.03;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC3_SC5";;;;;;;3.34;;0.48;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM429252;MM429252;C#CC(=O)C1CN1CC#N;UVAZBCYVSYHVPZ-UHFFFAOYSA-N;134.14;-0.6;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_SP1";;;;;;;-0.79;;-3.13;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM429253;MM429253;CCCC1=CC(OC)=CC1;OIDFYHSHEMJQOR-UHFFFAOYSA-N;138.21;2.65;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC1_SNa";;;;;;;2.91;;0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM429254;MM429254;C=CC(=NO)C1CC1CO;YKFYKCHASJZZNV-UHFFFAOYSA-N;141.17;0.63;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNda_Nda";;;;;;;0.87;;-2.07;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM429255;MM429255;C=C(C)c1ccn(C=N)n1;HVGCIXMKMVXJKB-UHFFFAOYSA-N;135.17;1.37;;;;;DOPC;MDCG;27;0;"MARTINI bead: SN0_SP1";;;;;;;0.34;;-1.53;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM429256;MM429256;CCC1(CN=CNC)CC1;RFYMEIALVBATED-UHFFFAOYSA-N;140.23;1.42;;;;;DOPC;MDCG;27;1;"MARTINI bead: SC3_P1";;;;;;;1.74;;-3.01;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM429257;MM429257;N#CC12C=CC(=O)C(C1)C2;OOYXXOMIZNXAEJ-UHFFFAOYSA-N;133.15;1.05;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNa_SC5";;;;;;;1.64;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM429258;MM429258;C=COC=CC(=NO)OC;WWDBHJHLUWQFBW-UHFFFAOYSA-N;143.14;1.09;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda_Na";;;;;;;0.87;;-1.99;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM429259;MM429259;COC1=CCC(CCN)=C1;ICQNUIUSZJNELB-UHFFFAOYSA-N;139.2;1.2;;;;;DOPC;MDCG;27;1;"MARTINI bead: SNa_SNd";;;;;;;0.87;;-4.63;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM429260;MM429260;C=C(C)c1ccn(C=O)n1;FBOIWSFRSVBFOU-UHFFFAOYSA-N;136.15;0.95;;;;;DOPC;MDCG;27;0;"MARTINI bead: SN0_SP1";;;;;;;0.34;;-1.53;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM429261;MM429261;Oc1cnn[nH]1;QEASJVYPHMYPJM-UHFFFAOYSA-N;85.07;-0.49;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP2_SP1";;;;;;;-1.06;;-9.08;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM429262;MM429262;C#CC12C=CC(=C)C(C1)C2;LAISNVVCAWOIKK-UHFFFAOYSA-N;130.19;2.14;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC3_SC4";;;;;;;3.9;;0.47;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM429263;MM429263;CN=CNCC1(CN)CC1;SUMBOBINWFXDKG-UHFFFAOYSA-N;141.22;-0.03;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1_SNd";;;;;;;0.04;;-6.31;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM429264;MM429264;C#CCN1CC1C(=O)C#C;ZKZNLDPVCFOUTR-UHFFFAOYSA-N;133.15;-0.49;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_SNd";;;;;;;0.04;;-2.63;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM429265;MM429265;CNCC1=CC(OC)=CC1;VREHSSLRSWZIRP-UHFFFAOYSA-N;139.2;1.07;;;;;DOPC;MDCG;27;1;"MARTINI bead: SNd_SNa";;;;;;;0.87;;-4.38;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM429266;MM429266;C=Nn1ccc(C(=C)C)n1;ZNUNMCACCZKSQE-UHFFFAOYSA-N;135.17;1.38;;;;;DOPC;MDCG;27;0;"MARTINI bead: SN0_SP1";;;;;;;0.34;;-1.53;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM429267;MM429267;C=CC(=CC)C1CC1NC;NIOSZFFDUBKGHN-UHFFFAOYSA-N;137.23;1.73;;;;;DOPC;MDCG;27;1;"MARTINI bead: SNd_C1";;;;;;;2.91;;-0.49;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM429268;MM429268;CCC12CC(C1)C(C)=NN2;XDNUGSKCEGVYNA-UHFFFAOYSA-N;138.21;1.52;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNd_SP1";;;;;;;0.04;;-2.63;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM429269;MM429269;NCC1(CN=CNO)CC1;ZGFYWSLZHFHHCX-UHFFFAOYSA-N;143.19;-0.27;;;;;DOPC;MDCG;27;1;"MARTINI bead: SNd_P2";;;;;;;-0.24;;-5.03;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM429270;MM429270;CCC(C=NNC=O)=CF;FLUIKCKLCMOWHN-UHFFFAOYSA-N;144.15;0.98;;;;;DOPC;MDCG;27;0;"MARTINI bead: C2_P4";;;;;;;0.77;;-0.87;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM429271;MM429271;CCOC1=CC(CC)=CC1;DJPKPZFKCKBJGQ-UHFFFAOYSA-N;138.21;2.65;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC4_SC3";;;;;;;3.9;;0.47;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM429272;MM429272;C=Cn1ncc(C(=C)C)n1;PLGSBRSCMIIWSI-UHFFFAOYSA-N;135.17;1.41;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP1_SNa";;;;;;;0.04;;-2.54;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM429273;MM429273;CC=C(C=O)C1CC1NC;NBGCFZDKFNEZMI-UHFFFAOYSA-N;139.2;0.74;;;;;DOPC;MDCG;27;1;"MARTINI bead: SNd_Na";;;;;;;0.87;;-4.31;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM429274;MM429274;CC1=NNC2(CN)CC1C2;VSXKUEBDXVPMFY-UHFFFAOYSA-N;139.2;0.07;;;;;DOPC;MDCG;27;1;"MARTINI bead: SP1_SP2";;;;;;;-1.06;;-5.5;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM429275;MM429275;CN=CNCC1(CO)CC1;DDMSJHUFFKAZCS-UHFFFAOYSA-N;142.2;0.01;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1_SNda";;;;;;;0.04;;-6.34;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM429276;MM429276;CC=C(C=NNC=O)CN;IZCNUGXDBCZNDB-UHFFFAOYSA-N;141.17;-0.38;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_P2";;;;;;;-0.24;;-4.71;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM429277;MM429277;CCOC1=CC(CN)=CC1;ZKNSSJNEKCKEOC-UHFFFAOYSA-N;139.2;1.2;;;;;DOPC;MDCG;27;1;"MARTINI bead: SC4_SNd";;;;;;;2.2;;-1.62;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM429278;MM429278;C=Cn1cnc(C(=C)C)n1;YYKCGGYEQJLGHW-UHFFFAOYSA-N;135.17;1.41;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNa_SNa";;;;;;;0.87;;-2.22;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM429279;MM429279;C=NN=C(C=NN)CC;LWSYIBDVKUXUOC-UHFFFAOYSA-N;126.16;0.4;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_C4";;;;;;;1.37;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM429280;MM429280;C=CC(=CC)C1CC1OC;JRPOZNCIRACJKW-UHFFFAOYSA-N;138.21;2.15;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNa_C1";;;;;;;2.91;;0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM429281;MM429281;NN=CNCC1(CO)CC1;YWXQEHDECMHDPZ-UHFFFAOYSA-N;143.19;-0.75;;;;;DOPC;MDCG;27;1;"MARTINI bead: P3_SNda";;;;;;;-1.1;;-5.32;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM429282;MM429282;CCOC1=CC(CO)=CC1;GZKFVUSNHQJZLU-UHFFFAOYSA-N;140.18;1.23;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC4_SNda";;;;;;;2.2;;0.49;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM429283;MM429283;N=CNNC=C(C=N)CN;USJPFPPSROSNEN-UHFFFAOYSA-N;141.18;-0.82;;;;;DOPC;MDCG;27;1;"MARTINI bead: P2_P4";;;;;;;-2.29;;-8.34;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM429284;MM429284;C=C(C)c1ncn(C=N)n1;ZXKQJZNIEMJRJL-UHFFFAOYSA-N;136.16;0.77;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNa_SP2";;;;;;;-0.24;;-3.24;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM429285;MM429285;CCC12CC(C1)C(C)=CO2;HTNGBICIUQHRAN-UHFFFAOYSA-N;138.21;2.48;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNa_SC5";;;;;;;1.64;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM429286;MM429286;CC=NNCC1(CC)CC1;HUYRAPZZZBNLRQ-UHFFFAOYSA-N;140.23;1.77;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC3_Nd";;;;;;;2.57;;0.53;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM429287;MM429287;CCOC1=CC(CF)=CC1;DXEJOSFOZJZABC-UHFFFAOYSA-N;142.17;2.21;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC4_SC5";;;;;;;2.97;;0.45;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM429288;MM429288;N=CNNC=C(C=N)CO;UQBIGNDIDJDMHZ-UHFFFAOYSA-N;142.16;-0.79;;;;;DOPC;MDCG;27;1;"MARTINI bead: P2_P4";;;;;;;-2.29;;-8.33;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM429289;MM429289;COC1CC1C(C#N)=CN;BIZGLIIWEYFICG-UHFFFAOYSA-N;138.17;0.39;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNa_P1";;;;;;;0.04;;-2.54;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM429290;MM429290;C=Nn1cnc(C(=C)C)n1;ZNJDTVLIFUOOSZ-UHFFFAOYSA-N;136.16;0.77;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNa_SP2";;;;;;;-0.24;;-3.24;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM429291;MM429291;CC1=COC2(CN)CC1C2;CTAAHCHFHRXZAC-UHFFFAOYSA-N;139.2;1.03;;;;;DOPC;MDCG;27;1;"MARTINI bead: SC5_SP1";;;;;;;0.81;;-2.6;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM429292;MM429292;CC=NNCC1(CN)CC1;WOOXBYFNBDAEHD-UHFFFAOYSA-N;141.22;0.32;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_SNd";;;;;;;0.87;;-4.27;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM429293;MM429293;CCNN=CC=NOCC;ZEWHQVNAUVQDQF-UHFFFAOYSA-N;143.19;0.6;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nd_Na";;;;;;;0.87;;-1.88;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM429294;MM429294;CCCc1cc(CC)c[nH]1;JFEGMFJMHMTWPS-UHFFFAOYSA-N;137.23;2.53;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC4_SC5";;;;;;;2.97;;0.45;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM429295;MM429295;C=CC(=NN)C1CC1OC;JUYNGTUJRINCDF-UHFFFAOYSA-N;140.19;0.52;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNa_C5";;;;;;;1.64;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM429296;MM429296;C#CC1C=CC(C(=C)C)=C1;LZIWJZUPOFLYAS-UHFFFAOYSA-N;130.19;2.31;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC3_SN0";;;;;;;2.87;;0.37;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM429297;MM429297;CC1=COC2(CO)CC1C2;WQWGXYALOUSTSL-UHFFFAOYSA-N;140.18;1.06;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC5_SP1";;;;;;;0.81;;-0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM429298;MM429298;C=CC(C)CC(C)(O)C=C;FPOLJSUTUSEXJP-UHFFFAOYSA-N;140.23;2.14;;;;;DOPC;MDCG;27;0;"MARTINI bead: C2_Nda";;;;;;;2.83;;0.57;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM429299;MM429299;O=CNN=CC(=CF)CF;WGHLPSJCSPUALW-UHFFFAOYSA-N;148.11;0.54;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_P2";;;;;;;0.54;;-1.09;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM429300;MM429300;CCc1c[nH]c(CCN)c1;BJULWAOEUKNOMW-UHFFFAOYSA-N;138.21;1.08;;;;;DOPC;MDCG;27;1;"MARTINI bead: SC5_SNd";;;;;;;1.64;;-2.39;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM429301;MM429301;C=CC(=CC)C1NC1CN;YSQJCELEAFZOPP-UHFFFAOYSA-N;138.21;0.42;;;;;DOPC;MDCG;27;1;"MARTINI bead: C1_SP2";;;;;;;1.8;;-0.84;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM429302;MM429302;CC=C1C=CC(C(C)C)=C1;SGDNDDVGGNQLTQ-UHFFFAOYSA-N;134.22;3.08;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC4_SC3";;;;;;;3.9;;0.47;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM429303;MM429303;CCC12CC(C1)C(F)=CO2;DWDSUPHEEAZCFU-UHFFFAOYSA-N;142.17;2.39;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNa_SNa";;;;;;;0.87;;-2.22;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM429304;MM429304;CC=COCC1(CC)CC1;MYZZQDAMOGRKHD-UHFFFAOYSA-N;140.23;2.73;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC3_C5";;;;;;;3.34;;0.48;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM429305;MM429305;C=CC(=CF)C1NC1CF;HINRVTSBQJWNRL-UHFFFAOYSA-N;145.15;1.34;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP1_C4";;;;;;;1.37;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM429306;MM429306;CCCc1cc(CN)c[nH]1;XSCSFOBYFJFBKA-UHFFFAOYSA-N;138.21;1.43;;;;;DOPC;MDCG;27;1;"MARTINI bead: SC4_SP1";;;;;;;1.37;;-1.92;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM429307;MM429307;CCC(C=NOC=O)=CN;VNPOMLPVSBTBLD-UHFFFAOYSA-N;142.16;0.4;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_P2";;;;;;;0.54;;-1.09;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM429308;MM429308;CC(C)C1=CC(=CF)C=C1;GWVRZQYNVKQUGR-UHFFFAOYSA-N;138.19;2.99;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC3_SC5";;;;;;;3.34;;0.48;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM429309;MM429309;NCC12CC(C1)C(F)=CO2;OXLDPLAUJUEEMX-UHFFFAOYSA-N;143.16;0.94;;;;;DOPC;MDCG;27;1;"MARTINI bead: SP1_SNa";;;;;;;0.04;;-4.64;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM429310;MM429310;CCC1(COC=CF)CC1;WWCKUHIJVHMPBD-UHFFFAOYSA-N;144.19;2.63;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC3_N0";;;;;;;2.87;;0.37;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM429311;MM429311;N#CC(=CF)C1NC1CF;ANLGZXSGBIZFCJ-UHFFFAOYSA-N;144.12;0.67;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP1_Na";;;;;;;0.04;;-2.54;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM429312;MM429312;CC=NOC=NNCCC;FEDRFTJHKFYCKM-UHFFFAOYSA-N;143.19;0.95;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nd_Na";;;;;;;0.87;;-1.88;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM429313;MM429313;NCCc1cc(CN)c[nH]1;PLVMNWICOWHWFR-UHFFFAOYSA-N;139.2;-0.03;;;;;DOPC;MDCG;27;1;"MARTINI bead: SNd_SP1";;;;;;;0.04;;-5.23;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM429314;MM429314;CC(N)C1=CC(=CF)C=C1;HXKUQVJFBAWNKC-UHFFFAOYSA-N;139.17;1.68;;;;;DOPC;MDCG;27;1;"MARTINI bead: SNd_SC5";;;;;;;1.64;;-2.32;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM429315;MM429315;OCC12CC(C1)C(F)=CO2;SYDDSDAEWOCBJW-UHFFFAOYSA-N;144.15;0.97;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP1_SNa";;;;;;;0.04;;-2.54;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM429316;MM429316;CC=COCC1(CN)CC1;JWMSBTGNRRCAII-UHFFFAOYSA-N;141.21;1.28;;;;;DOPC;MDCG;27;1;"MARTINI bead: C5_SNd";;;;;;;1.64;;-2.33;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM429317;MM429317;C=C(C(O)CCC)C1CC1;VVXCSMMQDMNPCG-UHFFFAOYSA-N;140.23;2.11;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4_SC5";;;;;;;2.97;;0.45;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM429318;MM429318;N=c1nn[nH]o1;QPTISOPQFLIZCY-UHFFFAOYSA-N;86.05;-1.12;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP2_SP2";;;;;;;-1.34;;-9.63;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM429319;MM429319;CCCc1cc(CO)c[nH]1;QZJOJYARBVNFEC-UHFFFAOYSA-N;139.2;1.46;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC4_SNda";;;;;;;2.2;;0.49;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM429320;MM429320;CC(N)C1=CC(=NO)C=C1;IDOHUFAFWMIPIF-UHFFFAOYSA-N;138.17;0.66;;;;;DOPC;MDCG;27;1;"MARTINI bead: SNd_SNda";;;;;;;0.87;;-4.65;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM429321;MM429321;FCC12CC(C1)C(F)=CO2;UEMJGVAPDGVLDC-UHFFFAOYSA-N;146.14;1.95;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNa_SNa";;;;;;;0.87;;-2.22;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM429322;MM429322;NCC1(COC=CF)CC1;COHNWIKVDIPPNT-UHFFFAOYSA-N;145.18;1.18;;;;;DOPC;MDCG;27;1;"MARTINI bead: SNd_Na";;;;;;;0.87;;-4.32;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM429323;MM429323;C=CC12CCC(C=O)N1C2;GOYADTRODDKCBC-UHFFFAOYSA-N;137.18;0.59;;;;;DOPC;MDCG;27;0;"MARTINI bead: SN0_SP1";;;;;;;0.34;;-1.53;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM429324;MM429324;C=CC(=CC)C1OC1CC;YCYHATWRDOPALR-UHFFFAOYSA-N;138.21;2.3;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNa_C1";;;;;;;2.91;;0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM429325;MM429325;NCCc1cc(CO)c[nH]1;YFPGCKOAOJSDJP-UHFFFAOYSA-N;140.19;0.01;;;;;DOPC;MDCG;27;1;"MARTINI bead: SNd_SNda";;;;;;;0.87;;-4.4;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM429326;MM429326;CC(O)C1=CC(=NO)C=C1;RBQMHDLTTXEGNZ-UHFFFAOYSA-N;139.15;0.69;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNda_SNda";;;;;;;0.87;;-2.07;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM429327;MM429327;CC=COCC1(CO)CC1;QILHMYWIOKGWLF-UHFFFAOYSA-N;142.2;1.31;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_SNda";;;;;;;0.87;;-1.99;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM429328;MM429328;COC12CC(C1)C(F)=CO2;YHIPYPSXUJRBSA-UHFFFAOYSA-N;144.15;1.58;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP1_SNa";;;;;;;0.04;;-2.54;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM429329;MM429329;CC=C(C=NOC=O)CF;VWGKOMSOCWHZRZ-UHFFFAOYSA-N;145.13;1.06;;;;;DOPC;MDCG;27;0;"MARTINI bead: C3_P2";;;;;;;1.46;;-0.15;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM429330;MM429330;C=CC(=CF)C1OC1CC;SMRVDUFRWASHEV-UHFFFAOYSA-N;142.17;2.2;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNa_C4";;;;;;;2.2;;0.34;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM429331;MM429331;CCCc1cc(CF)c[nH]1;RYCIBFXAFHKKCG-UHFFFAOYSA-N;141.19;2.44;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC4_SNa";;;;;;;2.2;;0.34;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM429332;MM429332;CN=C1C=C(C(C)C)C=N1;NPQXTWDBOAJQDN-UHFFFAOYSA-N;136.2;1.68;;;;;DOPC;MDCG;27;0;"MARTINI bead: SN0_SC5";;;;;;;1.94;;0.53;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM429333;MM429333;CCC12CC(C1)C(C)=NO2;OGUHBHLBURGDCF-UHFFFAOYSA-N;139.2;1.95;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNa_SN0";;;;;;;1.17;;-1.18;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM429334;MM429334;C=CC(C)=CC(C)(O)CC;HAAQNEXCPVYPAT-UHFFFAOYSA-N;140.23;2.28;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda_C3";;;;;;;2.57;;0.44;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM429335;MM429335;CNN=COC(C)=O;ICRKPMHESXNWHI-UHFFFAOYSA-N;116.12;-0.29;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_Na";;;;;;;-0.24;;-3.24;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM429336;MM429336;CCC1OC1C(C=O)=CN;NQSISJLWGUNQIO-UHFFFAOYSA-N;141.17;0.21;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNa_P2";;;;;;;-0.24;;-3.24;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM429337;MM429337;CC1(C)COC(=NN)C1;IVPMBJIIRNBINK-UHFFFAOYSA-N;128.18;0.71;;;;;DOPC;MDCG;27;0;"MARTINI bead: SN0_SNda";;;;;;;1.17;;-1.13;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM429338;MM429338;O=CC12CC=C(F)C(C1)C2;IRRHASAAEZVFJW-UHFFFAOYSA-N;140.16;1.84;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC4_SNa";;;;;;;2.2;;0.34;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM429339;MM429339;Cc1ncnc(=NN)n1N;YMKMIQRURQPNQJ-UHFFFAOYSA-N;140.15;-1.93;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP1_SP3";;;;;;;-1.93;;-4.72;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM429340;MM429340;ON=COCC1(CF)CC1;KPVIXRMMKPNTTG-UHFFFAOYSA-N;147.15;1.17;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_SC5";;;;;;;0.54;;-1.09;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM429341;MM429341;CCC1OC1C(C=O)=CF;SNVBWTHPYWBDKW-UHFFFAOYSA-N;144.15;1.22;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNa_Na";;;;;;;0.87;;-2.22;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM429342;MM429342;CCC(C=NNC=O)=NO;SMPFPPZYJAQDKU-UHFFFAOYSA-N;143.15;-0.04;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda_P2";;;;;;;-0.24;;-3.31;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM429343;MM429343;CCCc1cc(OC)c[nH]1;RPOBUCVVKBDQBB-UHFFFAOYSA-N;139.2;1.98;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC4_SNa";;;;;;;2.2;;0.34;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM429344;MM429344;C=CC12CC(C1)C(C)=NN2;DWMKARNCIROYFK-UHFFFAOYSA-N;136.2;1.3;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP1_SNd";;;;;;;0.04;;-2.63;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM429345;MM429345;Cc1nnnc(=NN)n1C;OFBQMHSQTHHHGQ-UHFFFAOYSA-N;140.15;-1.71;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP2_SP3";;;;;;;-2.2;;-5.19;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM429346;MM429346;CC=NOCC1(CC)CC1;LAQSDXBHBUQNGB-UHFFFAOYSA-N;141.21;2.2;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC3_Na";;;;;;;2.57;;0.45;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM429347;MM429347;C=CC(C=C)N=CNN=C;FCELAMPEFDUSQK-UHFFFAOYSA-N;137.19;0.96;;;;;DOPC;MDCG;27;0;"MARTINI bead: C2_P2";;;;;;;1.72;;0.27;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM429348;MM429348;C=CCC1(O)CC1C;XEJYBUZYFJLDAJ-UHFFFAOYSA-N;112.17;1.33;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNda_C4";;;;;;;2.2;;0.49;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM429349;MM429349;CC1(F)COC(=NN)C1;GDLAININVIJUNL-UHFFFAOYSA-N;132.14;0.41;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNa_SNda";;;;;;;0.87;;-1.99;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM429350;MM429350;C=NN1CC(C(C)=O)C1;RVZIENCMCNNHGV-UHFFFAOYSA-N;126.16;0.12;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP1_SP1";;;;;;;-0.79;;-3.13;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM429351;MM429351;CN=C1C=C(C(C)N)C=N1;PIWYYGDLAQRPIY-UHFFFAOYSA-N;137.19;0.37;;;;;DOPC;MDCG;27;1;"MARTINI bead: SN0_SNd";;;;;;;1.17;;-3.12;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM429352;MM429352;CC=NOCC1(CN)CC1;PNSTXQYJOKBQEN-UHFFFAOYSA-N;142.2;0.75;;;;;DOPC;MDCG;27;1;"MARTINI bead: Na_SNd";;;;;;;0.87;;-4.31;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM429353;MM429353;NC=C(C=O)C1OC1CF;TWNUWEVFUCCNQS-UHFFFAOYSA-N;145.13;-0.24;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_SNa";;;;;;;-0.24;;-3.24;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM429354;MM429354;NN=C(C=NNC=O)CF;CGSDXNZIRBBLDP-UHFFFAOYSA-N;146.13;-1;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_P2";;;;;;;-0.24;;-3.24;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM429355;MM429355;CCNc1cc(CN)c[nH]1;SGUCDQGSPAGWQH-UHFFFAOYSA-N;139.2;0.91;;;;;DOPC;MDCG;27;1;"MARTINI bead: SC5_SP1";;;;;;;0.81;;-2.57;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM429356;MM429356;CC(N)c1c[nH]c(N=O)c1;CRUXLJIWLGQHAF-UHFFFAOYSA-N;139.16;1.43;;;;;DOPC;MDCG;27;1;"MARTINI bead: SNd_SNd";;;;;;;0.87;;-3.92;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM429357;MM429357;C=CC12CC(C1)C(C)=CO2;JMHRRNFITMOIIX-UHFFFAOYSA-N;136.19;2.26;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC5_SNa";;;;;;;1.64;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM429358;MM429358;C=CC(C)(C)C(C)(C)CO;GCCKFNVKWOUWGW-UHFFFAOYSA-N;142.24;2.22;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda_C2";;;;;;;2.83;;0.57;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM429359;MM429359;C=CC(=O)C1NC1C;ZBICESONWNKZHX-UHFFFAOYSA-N;111.14;0.1;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP1_Na";;;;;;;0.04;;-2.54;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM429360;MM429360;C=CC(=NN)C1OC1CC;DTNKFPPGFSLBHC-UHFFFAOYSA-N;140.19;0.66;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNa_Nd";;;;;;;0.87;;-1.88;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM429361;MM429361;NN=C1CC(F)(F)CO1;SXFJZVFVBSTXIL-UHFFFAOYSA-N;136.1;0.31;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNda_SN0";;;;;;;1.17;;-1.13;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM429362;MM429362;CN=C1C=CC(C(C)C)=N1;LTNXHAQSLIMCDJ-UHFFFAOYSA-N;136.2;1.68;;;;;DOPC;MDCG;27;0;"MARTINI bead: SN0_SC5";;;;;;;1.94;;0.53;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM429363;MM429363;CC=CCCC1(NC)CC1;KTKHJDWNNLHUAU-UHFFFAOYSA-N;139.24;2.09;;;;;DOPC;MDCG;27;1;"MARTINI bead: SNd_C2";;;;;;;2.83;;-0.88;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM429364;MM429364;CN(N)C(=O)C1CN1;UHCGWICWNLKJHL-UHFFFAOYSA-N;115.14;-1.71;;;;;DOPC;MDCG;27;0;"MARTINI bead: P4_SP2";;;;;;;-2.29;;-5.95;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM429365;MM429365;CC1=COC2(C#N)CC1C2;PVCFDUJSWCKVCP-UHFFFAOYSA-N;135.17;1.59;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC5_SNa";;;;;;;1.64;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM429366;MM429366;C=CC(=CF)C1CN1CC;MESPOJGYUUPKID-UHFFFAOYSA-N;141.19;1.73;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNd_C4";;;;;;;2.2;;0.32;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM429367;MM429367;CC1(C)CCC(=NN)O1;MOUZWAIBXZFCMK-UHFFFAOYSA-N;128.18;0.85;;;;;DOPC;MDCG;27;0;"MARTINI bead: SN0_SNda";;;;;;;1.17;;-1.13;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM429368;MM429368;C=Cc1[nH]cc(NC)c1N;IZRDFJQYORJLTM-UHFFFAOYSA-N;137.19;1.28;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNd_SNd";;;;;;;0.87;;-2.11;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM429369;MM429369;CNC1(CCC=NN)CC1;FAMQCXABPOGQLE-UHFFFAOYSA-N;141.22;0.46;;;;;DOPC;MDCG;27;1;"MARTINI bead: SNd_Nd";;;;;;;0.87;;-5.05;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM429370;MM429370;CC=NOC(=NO)C(=O)O;HQVGEJLZENADAQ-UHFFFAOYSA-N;146.1;-0.12;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda_P1";;;;;;;0.04;;-7.47;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM429371;MM429371;C=CC12CC(C1)C(F)=CO2;IMIHFBSWJGPMFC-UHFFFAOYSA-N;140.16;2.16;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNa_SNa";;;;;;;0.87;;-2.22;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM429372;MM429372;CCN1CC1C(C=O)=CN;KCHQFTSCJYNKGJ-UHFFFAOYSA-N;140.19;-0.27;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNd_P2";;;;;;;-0.24;;-3.16;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM429373;MM429373;CC1(C)C=CC(=NN)O1;AWPHNSCQDNMIHT-UHFFFAOYSA-N;126.16;0.62;;;;;DOPC;MDCG;27;0;"MARTINI bead: SN0_SNda";;;;;;;1.17;;-1.13;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM429374;MM429374;C#CC#CC(F)C1CN1C;QPLZRQQUGQVBMS-UHFFFAOYSA-N;137.16;0.28;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP1_C5";;;;;;;0.81;;-0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM429375;MM429375;C=CC(=C)CC(O)CC;VJLPRFPIFFZDTF-UHFFFAOYSA-N;126.2;1.89;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda_C3";;;;;;;2.57;;0.44;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM429376;MM429376;CNC1(CCC=NO)CC1;ZGZOYQXKFZWBDL-UHFFFAOYSA-N;142.2;0.98;;;;;DOPC;MDCG;27;1;"MARTINI bead: SNd_P1";;;;;;;0.04;;-5.33;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM429377;MM429377;CCN1CC1C(C#N)=CN;SDUMCPFXJLNWJR-UHFFFAOYSA-N;137.19;0.06;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNd_P1";;;;;;;0.04;;-2.63;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM429378;MM429378;C=CC12CC(C1)C(C)=NO2;SEJMCFRKVDTEAU-UHFFFAOYSA-N;137.18;1.73;;;;;DOPC;MDCG;27;0;"MARTINI bead: SN0_SNa";;;;;;;1.17;;-1.18;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM429379;MM429379;CCC(C)OC(C)=NN;WQKBXSUFMBUMKI-UHFFFAOYSA-N;130.19;1.09;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1_P2";;;;;;;1.8;;0.4;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM429380;MM429380;CN=C1C=CC(C(C)N)=N1;JTORTELHOFRXGP-UHFFFAOYSA-N;137.19;0.37;;;;;DOPC;MDCG;27;1;"MARTINI bead: SN0_SNd";;;;;;;1.17;;-2.72;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM429381;MM429381;C=CC(=C)C(C)C(C)O;FQXAFHOIAVDOQL-UHFFFAOYSA-N;126.2;1.75;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_C1";;;;;;;2.08;;0.48;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM429382;MM429382;CN=CNCC1(NC)CC1;JFKNXMUKVBQTDA-UHFFFAOYSA-N;141.22;-0.01;;;;;DOPC;MDCG;27;1;"MARTINI bead: SNd_P1";;;;;;;0.04;;-6.04;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM429383;MM429383;CC1=NOC2(C=O)CC1C2;INCGEJPTCYMFKO-UHFFFAOYSA-N;139.15;0.74;;;;;DOPC;MDCG;27;0;"MARTINI bead: SN0_SP1";;;;;;;0.34;;-1.53;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM429384;MM429384;CCN1CC1C(C#N)=CF;RPRUBILPCZVBKX-UHFFFAOYSA-N;140.16;1.07;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNd_Na";;;;;;;0.87;;-1.88;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM429385;MM429385;CC(=NN)OC(C)CF;FLGPNODTIPBVNJ-UHFFFAOYSA-N;134.15;0.65;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4_P2";;;;;;;1.09;;-0.38;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM429386;MM429386;C=NN=CCNC=NN=C;GMDSNULUHGFXQG-UHFFFAOYSA-N;139.16;-0.09;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_Nd";;;;;;;1.64;;0.02;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM429387;MM429387;CNN=COC(=O)CF;VGULKRRGAKJVCV-UHFFFAOYSA-N;134.11;-0.34;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_Na";;;;;;;0.04;;-2.54;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM429388;MM429388;CC1=NOC2(C#N)CC1C2;XWGNQMBCMFAEAX-UHFFFAOYSA-N;136.15;1.06;;;;;DOPC;MDCG;27;0;"MARTINI bead: SN0_SNa";;;;;;;1.17;;-1.18;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM429389;MM429389;CNC1(CN=CNN)CC1;VUQPIUDJBGQKHW-UHFFFAOYSA-N;142.21;-0.77;;;;;DOPC;MDCG;27;1;"MARTINI bead: SNd_P3";;;;;;;-1.1;;-5.73;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM429390;MM429390;C=CC(=NN)C1CN1CC;LTHIUSFZHSMYIG-UHFFFAOYSA-N;139.2;0.19;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNd_Nd";;;;;;;0.87;;-2.11;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM429391;MM429391;C=CC(C)OC(C)=NN;JANCLCHPKSWPLC-UHFFFAOYSA-N;128.18;0.87;;;;;DOPC;MDCG;27;0;"MARTINI bead: C3_P2";;;;;;;1.46;;-0.15;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM429392;MM429392;CC(O)c1ccc(N=O)[nH]1;BDBNVFCDOGTXSG-UHFFFAOYSA-N;140.14;1.47;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNda_SNd";;;;;;;0.87;;-1.92;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM429393;MM429393;CC#CC(=NNC)OC;LVAVPGAGBUVEKC-UHFFFAOYSA-N;126.16;0.19;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_N0";;;;;;;0.34;;-1.53;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM429394;MM429394;CCn1cc(N)c(N)n1;SJIBBULYRPGCOV-UHFFFAOYSA-N;126.16;0.07;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNa_SP2";;;;;;;-0.24;;-3.24;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM429395;MM429395;CC=NNCC1(NC)CC1;KJPKCJBISLRYAX-UHFFFAOYSA-N;141.22;0.33;;;;;DOPC;MDCG;27;1;"MARTINI bead: SNd_Nd";;;;;;;0.87;;-3.57;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM429396;MM429396;CCCc1cc(CC)co1;NNMKDUGEIWRRSC-UHFFFAOYSA-N;138.21;2.79;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC3_SC4";;;;;;;3.9;;0.47;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM429397;MM429397;CN=c1nn[nH]o1;DFNPJGBGAVBDDA-UHFFFAOYSA-N;100.08;-1.07;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP2_SP2";;;;;;;-1.34;;-9.63;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM429398;MM429398;CN=C1N=CC(C(C)C)=N1;QRXDBPVDGCVJKU-UHFFFAOYSA-N;137.19;1.15;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP1_SN0";;;;;;;0.34;;-1.53;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM429399;MM429399;C=CCC(C=C)C(C)O;ASIHRCKEMGVXTI-UHFFFAOYSA-N;126.2;1.75;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_C1";;;;;;;2.08;;0.48;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM429400;MM429400;C#CC12CC(C1)C(C)=CO2;YKWGJLDDXHKVIT-UHFFFAOYSA-N;134.18;1.7;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC5_SNa";;;;;;;1.64;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM429401;MM429401;CC=COCC1(NC)CC1;GWTYHWHLTLBTRK-UHFFFAOYSA-N;141.21;1.29;;;;;DOPC;MDCG;27;1;"MARTINI bead: SNd_C5";;;;;;;1.64;;-1.98;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM429402;MM429402;C=CC(=NC)N1CC1CC;BCNWAWPHGGZWFV-UHFFFAOYSA-N;138.21;1.29;;;;;DOPC;MDCG;27;1;"MARTINI bead: SP1_Nd";;;;;;;0.04;;-5.62;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM429403;MM429403;CCCc1cc(CN)co1;NGHGMTPHAPTCFQ-UHFFFAOYSA-N;139.2;1.69;;;;;DOPC;MDCG;27;1;"MARTINI bead: SC3_SNd";;;;;;;2.57;;-0.12;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM429404;MM429404;NN=C1C=CN(C=O)NC1;PWUDJMIMRJMEEL-UHFFFAOYSA-N;140.15;-1.21;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP3_SP1";;;;;;;-1.93;;-4.72;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM429405;MM429405;CC=C(C=NNC=O)OC;FNQXWOWTGFSWEZ-UHFFFAOYSA-N;142.16;0.27;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_P2";;;;;;;0.54;;-1.09;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM429406;MM429406;C#CC12CC(C1)C(F)=CO2;KLLKGGBEKSNPSJ-UHFFFAOYSA-N;138.14;1.61;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNa_SNa";;;;;;;0.87;;-2.22;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM429407;MM429407;CC=NOCC1(NC)CC1;RDBRWBXQARVUTR-UHFFFAOYSA-N;142.2;0.76;;;;;DOPC;MDCG;27;1;"MARTINI bead: SNd_Na";;;;;;;0.87;;-3.05;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM429408;MM429408;CCCc1cc(CO)co1;DEMWOAWXCOGLSG-UHFFFAOYSA-N;140.18;1.72;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC3_SNda";;;;;;;2.57;;0.44;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM429409;MM429409;C=CC(=NC)N1CC1CN;VWMNGJHDYGFNDC-UHFFFAOYSA-N;139.2;-0.16;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_SP2";;;;;;;-0.24;;-5.82;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM429410;MM429410;CN=C1C=NC(C(C)C)=N1;MNZRBKKOGKFNGN-UHFFFAOYSA-N;137.19;1.15;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP1_SN0";;;;;;;0.34;;-1.53;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM429411;MM429411;CC=C(C=NOC=O)OC;LJWMOOBUMWWYFY-UHFFFAOYSA-N;143.14;0.7;;;;;DOPC;MDCG;27;0;"MARTINI bead: C3_P2";;;;;;;1.46;;-0.15;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM429412;MM429412;CC=CCCC1(OC)CC1;WHNATJGWVYIDGQ-UHFFFAOYSA-N;140.23;2.52;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNa_C2";;;;;;;2.83;;0.35;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM429413;MM429413;C#CC12CC(C1)C(C)=NO2;SXFYTTMXCFTNPS-UHFFFAOYSA-N;135.17;1.17;;;;;DOPC;MDCG;27;0;"MARTINI bead: SN0_SNa";;;;;;;1.17;;-1.18;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM429414;MM429414;CCCc1cc(CF)co1;QCBBNTQSGHIQHG-UHFFFAOYSA-N;142.17;2.7;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC3_SC5";;;;;;;3.34;;0.48;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM429415;MM429415;C#CC(=CC)C1CC1CC;ILVFNTKUYLSPBB-UHFFFAOYSA-N;134.22;2.61;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC3_C4";;;;;;;3.9;;0.47;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM429416;MM429416;C=C(C)C1=CC(=CC)C=C1;QSHBHLYGHCTICK-UHFFFAOYSA-N;132.21;3.01;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC4_SC3";;;;;;;3.9;;0.47;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM429417;MM429417;COC(C=NOC=O)=CF;BIDKOZAFIHGRJU-UHFFFAOYSA-N;147.11;0.6;;;;;DOPC;MDCG;27;0;"MARTINI bead: N0_P1";;;;;;;0.34;;-1.53;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM429418;MM429418;COC1(CCC=CF)CC1;UMTLUQOPGOFITK-UHFFFAOYSA-N;144.19;2.43;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNa_C4";;;;;;;2.2;;0.34;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM429419;MM429419;C=CC12CCC(C)C1(C)C2;QPHFYADPGQMPEW-UHFFFAOYSA-N;136.24;3;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC3_SC1";;;;;;;4.61;;0.31;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM429420;MM429420;CCCc1cc(NC)co1;UWSXYCHEKZIXBG-UHFFFAOYSA-N;139.2;2.27;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC3_SNd";;;;;;;2.57;;0.53;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM429421;MM429421;C#CC(=CF)C1CC1CC;CINIRIUTPXEVMJ-UHFFFAOYSA-N;138.19;2.52;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC3_C5";;;;;;;3.34;;0.48;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM429422;MM429422;COC(C=NNC=O)=NN;XICZWTIBIZNLKZ-UHFFFAOYSA-N;144.13;-1.36;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_P2";;;;;;;-1.06;;-3.82;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM429423;MM429423;C=C(C)C1=CC(=CF)C=C1;XHSBUDNACKGGBN-UHFFFAOYSA-N;136.17;2.91;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC3_SC5";;;;;;;3.34;;0.48;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM429424;MM429424;COC1(CCC=NN)CC1;QCVVLTKJTXPFNY-UHFFFAOYSA-N;142.2;0.89;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNa_Nd";;;;;;;0.87;;-1.88;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM429425;MM429425;C#CC12CCC(C)C1(C)C2;ITMQPFGQCIZTRA-UHFFFAOYSA-N;134.22;2.45;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC3_SC4";;;;;;;3.9;;0.47;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM429426;MM429426;CCCc1cc(OC)co1;OCMSANGCFLLWCR-UHFFFAOYSA-N;140.18;2.24;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC3_SNa";;;;;;;2.57;;0.45;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM429427;MM429427;C#CC(=CC)C1CC1CN;KGUXBWDMQOPMGL-UHFFFAOYSA-N;135.21;1.16;;;;;DOPC;MDCG;27;1;"MARTINI bead: C4_SNd";;;;;;;2.2;;-2.21;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM429428;MM429428;CC=C1C=CC(C(C)=O)=C1;PQKRHLWHNRVKFL-UHFFFAOYSA-N;134.18;2.02;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC4_SNa";;;;;;;2.2;;0.34;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM429429;MM429429;COC(C=NNC=O)=NO;AOBKHQBWOYAERA-UHFFFAOYSA-N;145.12;-0.85;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_P2";;;;;;;-1.34;;-4.31;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM429430;MM429430;CNC=NCC1(OC)CC1;INMNBVKPUMQSEZ-UHFFFAOYSA-N;142.2;0.41;;;;;DOPC;MDCG;27;1;"MARTINI bead: P3_SNa";;;;;;;-1.1;;-7.24;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM429431;MM429431;CCNc1cc(CO)co1;AVPPMOKYSBAZSA-UHFFFAOYSA-N;141.17;1.2;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC5_SNda";;;;;;;1.64;;0.05;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM429432;MM429432;CCC1(CC)CC2CC2C1;LEHZKUXJDIJFAL-UHFFFAOYSA-N;138.25;3.22;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC1_SC4";;;;;;;4.24;;0.42;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM429433;MM429433;C#CC(=CF)C1CC1CN;UANYOQNDRHXMJL-UHFFFAOYSA-N;139.17;1.07;;;;;DOPC;MDCG;27;1;"MARTINI bead: SNd_C5";;;;;;;1.64;;-2.69;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM429434;MM429434;CC(=O)C1=CC(=CF)C=C1;GXVLDVIVGQWJLB-UHFFFAOYSA-N;138.14;1.93;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNa_SC5";;;;;;;1.64;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM429435;MM429435;C=CN=CNC(=NN)NN;DICPEPJJPKFRRT-UHFFFAOYSA-N;142.17;-1.56;;;;;DOPC;MDCG;27;1;"MARTINI bead: P4_N0";;;;;;;-0.88;;-5.15;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM429436;MM429436;CC=NNCC1(OC)CC1;HBIGMZXYBADATF-UHFFFAOYSA-N;142.2;0.76;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNa_Nd";;;;;;;0.87;;-1.88;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM429437;MM429437;CCC1(CN)CC2CC2C1;TXXZWPFERNAWRR-UHFFFAOYSA-N;139.24;1.77;;;;;DOPC;MDCG;27;1;"MARTINI bead: SC5_SC4";;;;;;;2.97;;0.19;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM429438;MM429438;C#CC#CCC(CF)=NN;YALWQUWLVHCQEX-UHFFFAOYSA-N;138.15;0.3;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_C4";;;;;;;1.37;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM429439;MM429439;CCNc1cc(CF)co1;LOXCLYWANAJTDQ-UHFFFAOYSA-N;143.16;2.18;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC5_SC5";;;;;;;2.41;;0.64;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM429440;MM429440;CC=C1C=CC(C(=N)N)=C1;MGBWACMGZZXTGY-UHFFFAOYSA-N;134.18;1.36;;;;;DOPC;MDCG;27;1;"MARTINI bead: SC4_SNd";;;;;;;2.2;;-3.58;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM429441;MM429441;C=CNC=NC(=NC)NO;QHACQSFGGDDGPQ-UHFFFAOYSA-N;142.16;-0.29;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1_P1";;;;;;;-0.79;;-6.2;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM429442;MM429442;CC=COCC1(OC)CC1;VMJZNYJTFRIHCA-UHFFFAOYSA-N;142.2;1.72;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNa_C5";;;;;;;1.64;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM429443;MM429443;Cn1nc(N)cnc1=O;MGBSZUJDAWFGFM-UHFFFAOYSA-N;126.12;-1.24;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP2_SP2";;;;;;;-1.34;;-4.31;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM429444;MM429444;CCNc1cc(OC)co1;PYYAURNRZWFCOW-UHFFFAOYSA-N;141.17;1.72;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC5_SNa";;;;;;;1.64;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM429445;MM429445;C=C(C)C1=CC(=NN)C=C1;BKPKHLLYFSZUTB-UHFFFAOYSA-N;134.18;1.37;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC3_SNd";;;;;;;2.57;;0.53;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM429446;MM429446;C#CC(=NN)C1CC1CC;MLGDMEHWYKUZFO-UHFFFAOYSA-N;136.2;0.98;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC3_Nd";;;;;;;2.57;;0.53;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM429447;MM429447;C=CNC=NC(=NN)NO;CZTPOASOILYOIB-UHFFFAOYSA-N;143.15;-1.04;;;;;DOPC;MDCG;27;1;"MARTINI bead: P4_Nd";;;;;;;-1.19;;-6.09;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM429448;MM429448;NCC1(CO)CC2CC2C1;CSIDCRITTPQUBG-UHFFFAOYSA-N;141.21;0.35;;;;;DOPC;MDCG;27;1;"MARTINI bead: SNda_SC4";;;;;;;2.2;;-1.39;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM429449;MM429449;CC=CC(=N)N=C(N)C=O;LNQOKEDFZGWICW-UHFFFAOYSA-N;139.16;0.1;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4_P3";;;;;;;0.23;;-1.03;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM429450;MM429450;CCCc1cc(CC)no1;VXYSKMMNFSFQEH-UHFFFAOYSA-N;139.2;2.19;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC5_SC5";;;;;;;2.41;;0.64;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM429451;MM429451;C#CC(=NO)C1CC1CC;CMWNIKROTNOOTM-UHFFFAOYSA-N;137.18;1.5;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC3_Nda";;;;;;;2.57;;0.44;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM429452;MM429452;C=C(C)C1=CC(=NO)C=C1;RDRYYBAFFSYVKK-UHFFFAOYSA-N;135.17;1.89;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC3_SNda";;;;;;;2.57;;0.44;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM429453;MM429453;CN1N=C(N)C(=O)C1=N;BSAOHCAGQNQVMZ-UHFFFAOYSA-N;126.12;-1.25;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP1_SP2";;;;;;;-1.06;;-3.82;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM429454;MM429454;CC=NOCC1(OC)CC1;YNBSWOZKUYKCGZ-UHFFFAOYSA-N;143.19;1.19;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNa_Na";;;;;;;0.87;;-2.22;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM429455;MM429455;COC1(CN)CC2CC2C1;OBUXQOWEWZYEQL-UHFFFAOYSA-N;141.21;0.76;;;;;DOPC;MDCG;27;1;"MARTINI bead: SNda_SC4";;;;;;;2.2;;-1.38;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM429456;MM429456;CCCc1cc(OC)no1;BLADAVFAANLIHY-UHFFFAOYSA-N;141.17;1.64;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC5_SNa";;;;;;;1.64;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM429457;MM429457;C#CC(=NO)C1CC1CN;RCNFARPRSPHVRZ-UHFFFAOYSA-N;138.17;0.04;;;;;DOPC;MDCG;27;1;"MARTINI bead: SNd_Nda";;;;;;;0.87;;-4.98;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM429458;MM429458;C=C(C)C1=CC(=NC)N=C1;UQXYSEFYNNLJML-UHFFFAOYSA-N;134.18;1.6;;;;;DOPC;MDCG;27;0;"MARTINI bead: SN0_SC4";;;;;;;2.5;;0.45;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM429459;MM429459;C#CCC=CC(=CC)CC;LRSKFSWSBVXQLE-UHFFFAOYSA-N;134.22;2.92;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1_C5";;;;;;;3.68;;0.46;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM429460;MM429460;CCC1(CC)CC2CC2O1;ZVYFJVHDJKNUPI-UHFFFAOYSA-N;140.23;2.35;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC4_SNa";;;;;;;2.2;;0.34;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM429461;MM429461;CC=CCNC1(CC)CC1;MBQQCUGIBOPFCQ-UHFFFAOYSA-N;139.24;2.09;;;;;DOPC;MDCG;27;1;"MARTINI bead: SNd_C2";;;;;;;2.83;;-0.28;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM429462;MM429462;CCN=c1cc(CN)[nH]o1;MTYGGSAZINFMFI-UHFFFAOYSA-N;141.17;-0.01;;;;;DOPC;MDCG;27;1;"MARTINI bead: SP1_SP1";;;;;;;-0.79;;-4.83;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM429463;MM429463;C#CC(=CC)C1CC1NC;GHNLJMNAHHBVKC-UHFFFAOYSA-N;135.21;1.17;;;;;DOPC;MDCG;27;1;"MARTINI bead: SNd_C4";;;;;;;2.2;;-2.03;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM429464;MM429464;C=C(C)CC(C)(C)O;YYWMKLMWCPTKDJ-UHFFFAOYSA-N;114.19;1.72;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4_Nda";;;;;;;2.2;;0.49;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM429465;MM429465;C#CCC=CC(=CC)CN;NAZSMQMSMXKURJ-UHFFFAOYSA-N;135.21;1.47;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_C5";;;;;;;1.64;;-2.1;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM429466;MM429466;CCC1(CN)CC2NC2C1;DEOVNAVDHSIENE-UHFFFAOYSA-N;140.23;0.48;;;;;DOPC;MDCG;27;1;"MARTINI bead: SC5_SNd";;;;;;;1.64;;-2.39;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM429467;MM429467;CCC1(NCC=CF)CC1;PTHFSTBVERZGPC-UHFFFAOYSA-N;143.21;2;;;;;DOPC;MDCG;27;1;"MARTINI bead: SNd_C4";;;;;;;2.2;;-1.26;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM429468;MM429468;CCNc1nc(CN)c[nH]1;MHIKHWTXVRQIII-UHFFFAOYSA-N;140.19;0.3;;;;;DOPC;MDCG;27;1;"MARTINI bead: SNd_SP2";;;;;;;-0.24;;-4.27;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM429469;MM429469;C#CC(=NN)C1CC1NC;KPNLXYRASTXRON-UHFFFAOYSA-N;137.19;-0.46;;;;;DOPC;MDCG;27;1;"MARTINI bead: SNd_Nd";;;;;;;0.87;;-4.16;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM429470;MM429470;C=C(C)c1c[nH]c(N=O)c1;JUBDCHYSJIXXOJ-UHFFFAOYSA-N;136.15;2.45;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC5_SNd";;;;;;;1.64;;0.02;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM429471;MM429471;C#CCC=CC(=CF)CN;ADMKXALGTCSTLC-UHFFFAOYSA-N;139.17;1.38;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1_C5";;;;;;;0.81;;-2.61;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM429472;MM429472;CCC1(CC)CC2OC2C1;XGEMCTDGCBEETC-UHFFFAOYSA-N;140.23;2.35;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC1_SNa";;;;;;;2.91;;0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM429473;MM429473;CC=CCNC1(CN)CC1;VFSQJPQBRVGMSX-UHFFFAOYSA-N;140.23;0.64;;;;;DOPC;MDCG;27;1;"MARTINI bead: C2_SP2";;;;;;;1.72;;-1.49;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM429474;MM429474;CCCc1n[nH]c(CO)n1;FJTZQHSEQKCNOA-UHFFFAOYSA-N;141.17;0.25;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNda_SP2";;;;;;;-0.24;;-3.31;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM429475;MM429475;C#CC(=CC)C1CC1OC;JXAGREUHOZHJOZ-UHFFFAOYSA-N;136.19;1.6;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNa_C4";;;;;;;2.2;;0.34;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM429476;MM429476;C=C(C)C1=NC(=NC)C=C1;LVUHVTGOQCMYEX-UHFFFAOYSA-N;134.18;1.6;;;;;DOPC;MDCG;27;0;"MARTINI bead: SN0_SC4";;;;;;;2.5;;0.45;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM429477;MM429477;C#CCC=CC(=CC)CO;QTAVIMDBNGNDTL-UHFFFAOYSA-N;136.19;1.5;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda_C5";;;;;;;1.64;;0.05;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM429478;MM429478;CCC1(CN)CC2OC2C1;FNCXZWZIWQLAQA-UHFFFAOYSA-N;141.21;0.9;;;;;DOPC;MDCG;27;1;"MARTINI bead: SC5_SNa";;;;;;;1.64;;-2.43;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM429479;MM429479;CC=CCNC1(CO)CC1;MOQFBTHFUYRQRI-UHFFFAOYSA-N;141.21;0.68;;;;;DOPC;MDCG;27;1;"MARTINI bead: C2_SP2";;;;;;;1.72;;-0.87;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM429480;MM429480;CCCc1nc(CC)co1;LBOTWAYDEWJBJJ-UHFFFAOYSA-N;139.2;2.19;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC5_SNa";;;;;;;1.64;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM429481;MM429481;C#CC(=CF)C1NC1CC;VZHOXQCJKGQJPU-UHFFFAOYSA-N;139.17;1.22;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNd_C5";;;;;;;1.64;;0.03;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM429482;MM429482;COC(=NN)C(F)F;HWWBWTSWYOTFCA-UHFFFAOYSA-N;124.09;0.17;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_N0";;;;;;;0.34;;-1.53;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM429483;MM429483;C#CCC=CC(CC)=NN;NTFRLXNCTHLRRF-UHFFFAOYSA-N;136.2;1.29;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nd_C5";;;;;;;1.64;;0.02;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM429484;MM429484;CCC1(NC)CC2OC2C1;ZPSFBEGTCDLPOP-UHFFFAOYSA-N;141.21;0.92;;;;;DOPC;MDCG;27;1;"MARTINI bead: SC4_SNa";;;;;;;2.2;;-2.36;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM429485;MM429485;OCC1(NCC=CF)CC1;LWGNQYIVZJOQOR-UHFFFAOYSA-N;145.18;0.58;;;;;DOPC;MDCG;27;1;"MARTINI bead: SP2_C4";;;;;;;1.09;;-1.44;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM429486;MM429486;C#CC(=CC)C1NC1CN;MDCIJOCHNHDCIC-UHFFFAOYSA-N;136.2;-0.14;;;;;DOPC;MDCG;27;1;"MARTINI bead: C4_SP2";;;;;;;1.09;;-2.27;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM429487;MM429487;C=C(C)c1ccc(N=O)[nH]1;RAZALLKAGVXAPW-UHFFFAOYSA-N;136.15;2.45;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC5_SNd";;;;;;;1.64;;0.02;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM429488;MM429488;CCCc1nc(CO)co1;BMUVGHIHCDKJKA-UHFFFAOYSA-N;141.17;1.12;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC5_SP1";;;;;;;0.81;;-0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM429489;MM429489;CNC1(CN)CC2OC2C1;VXAJTLJGDKEEFZ-UHFFFAOYSA-N;142.2;-0.54;;;;;DOPC;MDCG;27;1;"MARTINI bead: SNd_SNa";;;;;;;0.87;;-4.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM429490;MM429490;C#CCC=CC(CC)=NO;QOCDYYJNXQKQKN-UHFFFAOYSA-N;137.18;1.81;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda_C5";;;;;;;1.64;;0.05;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM429491;MM429491;CCC1(NCC=NO)CC1;KGWUTAPTHNLFBB-UHFFFAOYSA-N;142.2;0.98;;;;;DOPC;MDCG;27;1;"MARTINI bead: SNd_P1";;;;;;;0.04;;-3.66;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM429492;MM429492;C#CC(=CF)C1NC1CN;LDRGQPATZZPEQB-UHFFFAOYSA-N;140.16;-0.23;;;;;DOPC;MDCG;27;1;"MARTINI bead: SP2_C5";;;;;;;0.54;;-3.01;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM429493;MM429493;C=C(C)C1=NC(=NC)N=C1;AULNAQJTVOCYII-UHFFFAOYSA-N;135.17;1.07;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP1_SN0";;;;;;;0.34;;-1.53;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM429494;MM429494;CCCc1nc(CF)co1;FJDLRFIYNYBEKV-UHFFFAOYSA-N;143.16;2.1;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC5_SNa";;;;;;;1.64;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM429495;MM429495;CCC1(CN)CC2CN2C1;JGAHBYKLXCZMNX-UHFFFAOYSA-N;140.23;0.43;;;;;DOPC;MDCG;27;1;"MARTINI bead: SP1_SNd";;;;;;;0.04;;-4.8;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM429496;MM429496;C#CCC=CC(=NO)NO;OQWJNCVANIWMQF-UHFFFAOYSA-N;140.14;0.33;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_C5";;;;;;;0.54;;-1.09;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM429497;MM429497;NCC1(NCC=NO)CC1;AELFLUOBAVBLOG-UHFFFAOYSA-N;143.19;-0.47;;;;;DOPC;MDCG;27;1;"MARTINI bead: SNd_P3";;;;;;;-1.1;;-6.73;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM429498;MM429498;C=NNC1=NC(=CF)C=C1;XDAFHOYPSYOFAP-UHFFFAOYSA-N;139.13;0.97;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC5_SNd";;;;;;;1.64;;0.02;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM429499;MM429499;C=C(C)C1=NC(=NO)N=C1;OQRAOCGKQOXCOC-UHFFFAOYSA-N;137.14;0.83;;;;;DOPC;MDCG;27;0;"MARTINI bead: SN0_SP1";;;;;;;0.34;;-1.53;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM429500;MM429500;C#CC(C)OC(C)=NN;DOTPKXICKJZHJX-UHFFFAOYSA-N;126.16;0.32;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_P2";;;;;;;0.54;;-1.09;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM429501;MM429501;CC1C(O)C2CC1(C)C2;HFXCXFDOPIWQRE-UHFFFAOYSA-N;126.2;1.41;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNda_SC1";;;;;;;2.91;;0.57;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM429502;MM429502;C#CCC=CC(=CC)OC;VKENOBIZLJAGEB-UHFFFAOYSA-N;136.19;2.12;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_C5";;;;;;;2.41;;0.64;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM429503;MM429503;C#CC(=CF)C1NC1CF;FYKSWFWXLCUHKL-UHFFFAOYSA-N;143.14;0.78;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP1_C5";;;;;;;0.81;;-0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM429504;MM429504;C=CN=C(C)N=C(N)C=O;VFYXAQIPEXTRCV-UHFFFAOYSA-N;139.16;0.1;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_P3";;;;;;;-0.33;;-2.01;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM429505;MM429505;C=C(C)C1=NC(=NC)C=N1;JADPDTJRXLDWDC-UHFFFAOYSA-N;135.17;1.07;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP1_SN0";;;;;;;0.34;;-1.53;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM429506;MM429506;CCCc1nc(OC)co1;JXOPVCJHUQOJLD-UHFFFAOYSA-N;141.17;1.64;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC5_SNa";;;;;;;1.64;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM429507;MM429507;CCC1(NC)CC2CN2C1;HGCBKVZYAZBFRF-UHFFFAOYSA-N;140.23;0.44;;;;;DOPC;MDCG;27;1;"MARTINI bead: SNd_SNd";;;;;;;0.87;;-4.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM429508;MM429508;CC(=O)OC(=CNN)N=O;KEFBQYVPSKXUDF-UHFFFAOYSA-N;145.12;-0.42;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_P2";;;;;;;-0.24;;-3.24;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM429509;MM429509;C=CC(C=CCCC)=CC;NRHRELPFTCIKSQ-UHFFFAOYSA-N;136.24;3.48;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1_C1";;;;;;;4.95;;0.69;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM429510;MM429510;C#CC(=NN)C1NC1CC;ANVFTHDPMOMYHG-UHFFFAOYSA-N;137.19;-0.32;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNd_P1";;;;;;;0.04;;-2.63;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM429511;MM429511;CCC1=CCC(C(C)C)=C1;ALFWBUFDWHVNPQ-UHFFFAOYSA-N;136.24;3.31;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC3_SC3";;;;;;;4.27;;0.2;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM429512;MM429512;CCCc1nc(CC)no1;HXDWTMIFXWUXIE-UHFFFAOYSA-N;140.19;1.58;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNa_SNa";;;;;;;0.87;;-2.22;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM429513;MM429513;CNC1(CN)CC2CN2C1;DZLNEBUCVSPGGD-UHFFFAOYSA-N;141.22;-1.01;;;;;DOPC;MDCG;27;1;"MARTINI bead: SP2_SNd";;;;;;;-0.24;;-5.46;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM429514;MM429514;CC=CCOC1(CC)CC1;WNRJVRIBSADCQK-UHFFFAOYSA-N;140.23;2.52;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC3_Na";;;;;;;2.57;;0.45;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM429515;MM429515;C#CC(=NO)C1NC1CC;ZHCKMPXJFCMBMX-UHFFFAOYSA-N;138.17;0.2;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNd_P1";;;;;;;0.04;;-2.63;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM429516;MM429516;CC(C)C1=CC(CN)=CC1;IMRRSBLINGHYEZ-UHFFFAOYSA-N;137.23;1.86;;;;;DOPC;MDCG;27;1;"MARTINI bead: SC3_SNd";;;;;;;2.57;;-0.93;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM429517;MM429517;C=CC(C=CCCN)=CC;IAUJAUHRNQBQAK-UHFFFAOYSA-N;137.23;2.02;;;;;DOPC;MDCG;27;1;"MARTINI bead: C1_Nd";;;;;;;2.91;;-0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM429518;MM429518;C=CCC1=CC(CC)=CC1;IJLBZCNKUFSIAO-UHFFFAOYSA-N;134.22;3.23;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC3_SC4";;;;;;;3.9;;0.47;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM429519;MM429519;CCC1(OC)CC2CN2C1;STTLCVVJWQESAP-UHFFFAOYSA-N;141.21;0.87;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNa_SNd";;;;;;;0.87;;-1.88;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM429520;MM429520;C#CC(=CF)C1OC1CC;YLEVMDPTQNEHQE-UHFFFAOYSA-N;140.16;1.65;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNa_C5";;;;;;;1.64;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM429521;MM429521;CC=CCOC1(CN)CC1;PCSKHMORUQVONL-UHFFFAOYSA-N;141.21;1.07;;;;;DOPC;MDCG;27;1;"MARTINI bead: Na_SNd";;;;;;;0.87;;-4.01;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM429522;MM429522;CC(C)C1=CC(CO)=CC1;JXHCLNMLZBPNPA-UHFFFAOYSA-N;138.21;1.89;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC3_SNda";;;;;;;2.57;;0.44;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM429523;MM429523;N=Cn1nnc(N)c1N;DFATUHCNIKLTRA-UHFFFAOYSA-N;126.12;-1.1;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP2_SP2";;;;;;;-1.34;;-4.31;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM429524;MM429524;CCC1=CCC(CC=O)=C1;RFDXYCVPELKGAP-UHFFFAOYSA-N;136.19;2.24;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC3_SNa";;;;;;;2.57;;0.45;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM429525;MM429525;COC1(CN)CC2CN2C1;MSSQMHXNJDGDSF-UHFFFAOYSA-N;142.2;-0.58;;;;;DOPC;MDCG;27;1;"MARTINI bead: SP2_SNd";;;;;;;-0.24;;-4.94;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM429526;MM429526;C#CC(=NN)C1OC1CC;WZOBNUHTJFGGED-UHFFFAOYSA-N;138.17;0.11;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNa_P1";;;;;;;0.04;;-2.54;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM429527;MM429527;CC=CCOC1(CO)CC1;CHXMFMOXMOCYAM-UHFFFAOYSA-N;142.2;1.1;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_SNda";;;;;;;0.87;;-1.99;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM429528;MM429528;CC(C)C1=CC(CF)=CC1;KUTZCBDROLCVGI-UHFFFAOYSA-N;140.2;2.87;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC3_SC5";;;;;;;3.34;;0.48;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM429529;MM429529;C=CC(C=CCCC)=CF;HFCLERYOVNZRHN-UHFFFAOYSA-N;140.2;3.38;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1_C4";;;;;;;4.24;;0.42;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM429530;MM429530;CCC1=CCC(CC#N)=C1;PMMLLJXIWAQBFE-UHFFFAOYSA-N;133.19;2.57;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC3_SN0";;;;;;;2.87;;0.37;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM429531;MM429531;OCC1(OCC=CF)CC1;FNVYUFFMXJQGSH-UHFFFAOYSA-N;146.16;1.01;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP2_C4";;;;;;;1.09;;-0.38;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM429532;MM429532;CC12CCC(O)C1(C)C2;VGYVQJFNSXAVBP-UHFFFAOYSA-N;126.2;1.56;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC3_SNda";;;;;;;2.57;;0.44;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM429533;MM429533;C#CC(=NN)C1CN1CC;RGKQUHROZUSKAI-UHFFFAOYSA-N;137.19;-0.36;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNd_P1";;;;;;;0.04;;-2.63;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM429534;MM429534;CCC1=CCC(C(C)N)=C1;YSNSBVGEEAIZCE-UHFFFAOYSA-N;137.23;2;;;;;DOPC;MDCG;27;1;"MARTINI bead: SC3_SNd";;;;;;;2.57;;-1.19;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM429535;MM429535;C=CC(C=CCCN)=CF;QMZCVEOLBXNVRF-UHFFFAOYSA-N;141.19;1.93;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_C4";;;;;;;2.2;;-2.18;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM429536;MM429536;C=CCC1=CC(CN)=CC1;RVSDPCXCNGFDIK-UHFFFAOYSA-N;135.21;1.78;;;;;DOPC;MDCG;27;1;"MARTINI bead: SNd_SC4";;;;;;;2.2;;-1.63;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM429537;MM429537;CC=CCOC1(CF)CC1;UEPWQRNESZTZSA-UHFFFAOYSA-N;144.19;2.08;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_SC5";;;;;;;1.64;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM429538;MM429538;C#CC(=NC)N1CC1CC;YQKCSMDKZLHLLX-UHFFFAOYSA-N;136.2;0.74;;;;;DOPC;MDCG;27;1;"MARTINI bead: SP1_P1";;;;;;;-0.79;;-4.21;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM429539;MM429539;O=CC1(CO)CC2CC2C1;MZNJHYFXAKIATJ-UHFFFAOYSA-N;140.18;0.59;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNda_SC4";;;;;;;2.2;;0.49;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM429540;MM429540;CC(N)C1=CC(CN)=CC1;CBXYLSRIXIWJAF-UHFFFAOYSA-N;138.21;0.55;;;;;DOPC;MDCG;27;1;"MARTINI bead: SNd_SNd";;;;;;;0.87;;-4.77;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM429541;MM429541;NN=C1C=CC(=NN)O1;PPCXCRQJZGOKQN-UHFFFAOYSA-N;126.12;-0.88;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNd_SNda";;;;;;;0.87;;-1.92;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM429542;MM429542;C=CCC1=CC(CO)=CC1;UXMCHQGWFYMZBC-UHFFFAOYSA-N;136.19;1.81;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNda_SC4";;;;;;;2.2;;0.49;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM429543;MM429543;C#CC1CC1CC(C)(C)O;SIBUGXXQLDOWHK-UHFFFAOYSA-N;138.21;1.42;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda_SC5";;;;;;;1.64;;0.05;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM429544;MM429544;C=CC1CC1C(=CC)CC;RRHAXBUGKAOZHZ-UHFFFAOYSA-N;136.24;3.16;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1_SC4";;;;;;;4.24;;0.42;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM429545;MM429545;C=CC1(CC)CC2CC2N1;TUXVFWMZBYNKDI-UHFFFAOYSA-N;137.23;1.7;;;;;DOPC;MDCG;27;1;"MARTINI bead: SC5_SNd";;;;;;;1.64;;-3.09;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM429546;MM429546;CC(N)C1=CC(CO)=CC1;JZOLBZFAKDRWOX-UHFFFAOYSA-N;139.2;0.58;;;;;DOPC;MDCG;27;1;"MARTINI bead: SNd_SNda";;;;;;;0.87;;-4.38;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM429547;MM429547;O=CCC1=CC(CO)=CC1;KOWDYLUOCAKQEK-UHFFFAOYSA-N;138.17;0.82;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNda_SNa";;;;;;;0.87;;-1.99;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM429548;MM429548;CC=C(C=O)C=CCCC;QIDVGIHFEXCMLR-UHFFFAOYSA-N;138.21;2.49;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1_Na";;;;;;;2.91;;0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM429549;MM429549;NCC1(ON=CNO)CC1;BHLDGLQEJPPVBZ-UHFFFAOYSA-N;145.16;-0.58;;;;;DOPC;MDCG;27;1;"MARTINI bead: SP2_P4";;;;;;;-2.29;;-7.37;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM429550;MM429550;C=CC1CC1C(=CC)CN;VHURTYHHJCGNKN-UHFFFAOYSA-N;137.23;1.71;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_SC4";;;;;;;2.2;;-1.66;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM429551;MM429551;C=CC1(CN)CC2CC2N1;AVKZAJZYAHBCDB-UHFFFAOYSA-N;138.21;0.25;;;;;DOPC;MDCG;27;1;"MARTINI bead: SP1_SNd";;;;;;;0.04;;-5.32;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM429552;MM429552;CC(N)C1=CC(CF)=CC1;UYPHLLONYWERJI-UHFFFAOYSA-N;141.19;1.56;;;;;DOPC;MDCG;27;1;"MARTINI bead: SNd_SC5";;;;;;;1.64;;-2.36;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM429553;MM429553;N#CCC1=CC(CO)=CC1;ACZDJOYTPZGICO-UHFFFAOYSA-N;135.17;1.15;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNda_SN0";;;;;;;1.17;;-1.13;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM429554;MM429554;CC=C(C#N)C=CCCC;XQHZHJFBERCTBZ-UHFFFAOYSA-N;135.21;2.81;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1_N0";;;;;;;3.21;;0.46;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM429555;MM429555;CC=C(CC)C1CC1C=O;MEHOKOIJVPQIDT-UHFFFAOYSA-N;138.21;2.18;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1_SNa";;;;;;;2.91;;0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM429556;MM429556;CN=CNOC1(CO)CC1;BKVXQSAQADWAMU-UHFFFAOYSA-N;144.17;-0.31;;;;;DOPC;MDCG;27;1;"MARTINI bead: P2_SNda";;;;;;;-0.24;;-4.32;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM429557;MM429557;CCC1=CCC(C(C)O)=C1;ZSUXITROGSYRDN-UHFFFAOYSA-N;138.21;2.03;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC3_SNda";;;;;;;2.57;;0.44;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM429558;MM429558;C=CC1(CO)CC2CC2N1;FBSWQOJEILGUML-UHFFFAOYSA-N;139.2;0.29;;;;;DOPC;MDCG;27;1;"MARTINI bead: SP1_SNd";;;;;;;0.04;;-5.07;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM429559;MM429559;C=CCC1=CC(CF)=CC1;WZSJLXOSRYISDD-UHFFFAOYSA-N;138.19;2.79;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC5_SC4";;;;;;;2.97;;0.45;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM429560;MM429560;C#CC(=O)C(C)N1CC1;FTCZPYVFGRLADU-UHFFFAOYSA-N;123.16;-0.11;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNd_P1";;;;;;;0.04;;-2.63;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM429561;MM429561;CC=C(CC)C1CC1C#N;FZLSBIDTIRJOKI-UHFFFAOYSA-N;135.21;2.5;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1_SN0";;;;;;;3.21;;0.46;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM429562;MM429562;C=C(F)C=NNC=NOC;UFBDVPPVWMKLOO-UHFFFAOYSA-N;145.14;0.63;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_C5";;;;;;;0.81;;-0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM429563;MM429563;O=CCC1=CC(CF)=CC1;PPPBVSNNJRQIDR-UHFFFAOYSA-N;140.16;1.8;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC5_SNa";;;;;;;1.64;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM429564;MM429564;CC(O)C1=CC(CO)=CC1;SGJBAYDAINIFMC-UHFFFAOYSA-N;140.18;0.62;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNda_SNda";;;;;;;0.87;;-2.07;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM429565;MM429565;C=CC1(CC)CC2CC2O1;ZCDKVDAEARDCMF-UHFFFAOYSA-N;138.21;2.13;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC4_SNa";;;;;;;2.2;;0.34;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM429566;MM429566;C=C1C(C)C2(C)CC1(O)C2;ZIJLCHIFFZWCDY-UHFFFAOYSA-N;138.21;1.72;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNda_SC1";;;;;;;2.91;;0.57;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM429567;MM429567;CN1CC(F)CC(=O)C1=N;WTTKXWUJGVWJRY-UHFFFAOYSA-N;144.15;0.21;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNa_SP1";;;;;;;0.04;;-2.54;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM429568;MM429568;CC=C(CO)C1CC1C#N;XTSTXSWJMYQFLP-UHFFFAOYSA-N;137.18;1.08;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_SN0";;;;;;;1.94;;0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM429569;MM429569;CC(O)C1=CC(CF)=CC1;LJGZIYJAMPIQIR-UHFFFAOYSA-N;142.17;1.59;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNda_SC5";;;;;;;1.64;;0.05;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM429570;MM429570;CCC1(C#N)CC2CC2O1;ZLDACZOXYNAUNY-UHFFFAOYSA-N;137.18;1.47;;;;;DOPC;MDCG;27;0;"MARTINI bead: SN0_SNa";;;;;;;1.17;;-1.18;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM429571;MM429571;N#CCC1=CC(CF)=CC1;SLDSKMHNIXFKEM-UHFFFAOYSA-N;137.16;2.13;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC5_SN0";;;;;;;1.94;;0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM429572;MM429572;CC=C(C=O)C=CCCF;IQCRQPPBUKFCHM-UHFFFAOYSA-N;142.17;2.05;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_C4";;;;;;;2.2;;0.34;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM429573;MM429573;CC=CCOC1(OC)CC1;WMWSPXBVXGLIQG-UHFFFAOYSA-N;142.2;1.72;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP1_C2";;;;;;;2;;0.29;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM429574;MM429574;C=CC1CC1C(=NC)NC;SHZCLWDQRYYLQT-UHFFFAOYSA-N;138.21;1.06;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_SC4";;;;;;;2.2;;-3.96;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM429575;MM429575;CC(F)C1=CC(CN)=CC1;VBOQLNNQLWOBMP-UHFFFAOYSA-N;141.19;1.56;;;;;DOPC;MDCG;27;1;"MARTINI bead: SC4_SNd";;;;;;;2.2;;-1.63;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM429576;MM429576;C=CC1(CN)CC2NC2C1;LLSFGGMRCYZKPV-UHFFFAOYSA-N;138.21;0.25;;;;;DOPC;MDCG;27;1;"MARTINI bead: SC5_SNd";;;;;;;1.64;;-2.35;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM429577;MM429577;C=CCC1=CC(OC)=CC1;HZJJTIRQZJZDHQ-UHFFFAOYSA-N;136.19;2.42;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNa_SC4";;;;;;;2.2;;0.34;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM429578;MM429578;CCCC=CC(C=O)=CN;IHTKZWPUDBUGET-UHFFFAOYSA-N;139.2;1.38;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1_P2";;;;;;;1.8;;0.4;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM429579;MM429579;CC=CCCC1(CN)CN1;BIKCMPJEYGTYRR-UHFFFAOYSA-N;140.23;0.64;;;;;DOPC;MDCG;27;1;"MARTINI bead: C1_SP2";;;;;;;1.8;;-0.89;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM429580;MM429580;CN=C(NC)C1CC1C#N;LKAOMQIEWYKQRF-UHFFFAOYSA-N;137.19;0.39;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_SN0";;;;;;;1.17;;-5.37;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM429581;MM429581;COC1=CCC(C(C)C)=C1;NJQDYVKYCAFRIR-UHFFFAOYSA-N;138.21;2.5;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNa_SC3";;;;;;;2.57;;0.45;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM429582;MM429582;C=CC1(NC)CC2NC2C1;GBKZNKAWOONXDU-UHFFFAOYSA-N;138.21;0.26;;;;;DOPC;MDCG;27;1;"MARTINI bead: SNd_SNd";;;;;;;0.87;;-4.3;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM429583;MM429583;COC1=CCC(CC=O)=C1;ZMOOYEYUKHBZAZ-UHFFFAOYSA-N;138.17;1.44;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNa_SNa";;;;;;;0.87;;-2.22;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM429584;MM429584;CCCC=CC(C#N)=CN;CLYCNFFIKLRHFT-UHFFFAOYSA-N;136.2;1.71;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1_P1";;;;;;;2.08;;0.48;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM429585;MM429585;NCC1(CCC=CF)CN1;XVTGKHYSVJTEKN-UHFFFAOYSA-N;144.19;0.55;;;;;DOPC;MDCG;27;1;"MARTINI bead: SP2_C3";;;;;;;1.46;;-2.02;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM429586;MM429586;C=CC1CC1C(=CC)OC;SJGJHXZZDQBJAX-UHFFFAOYSA-N;138.21;2.36;;;;;DOPC;MDCG;27;0;"MARTINI bead: C3_SC4";;;;;;;3.9;;0.47;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM429587;MM429587;C=CC1(CN)CC2OC2C1;CTKUNBAHTJRPGO-UHFFFAOYSA-N;139.2;0.68;;;;;DOPC;MDCG;27;1;"MARTINI bead: SC5_SNa";;;;;;;1.64;;-2.39;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM429588;MM429588;CCc1c[nH]c(C(C)C)c1;LLZPRVZEQXFSCT-UHFFFAOYSA-N;137.23;2.7;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC5_SC4";;;;;;;2.97;;0.45;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM429589;MM429589;COC1=CCC(CC#N)=C1;QPXVXKOUKKRTBV-UHFFFAOYSA-N;135.17;1.76;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNa_SN0";;;;;;;1.17;;-1.18;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM429590;MM429590;CC=CCCC1(CF)CN1;HUWREAUSVRLAGR-UHFFFAOYSA-N;143.21;1.65;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1_SP1";;;;;;;2.08;;0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM429591;MM429591;N#CC(C=CCCF)=CN;LUYBMMJWYRVROH-UHFFFAOYSA-N;140.16;1.27;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_C5";;;;;;;0.81;;-0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM429592;MM429592;CC=C(OC)C1CC1C#N;RJJZNHNGJZEFPD-UHFFFAOYSA-N;137.18;1.7;;;;;DOPC;MDCG;27;0;"MARTINI bead: C3_SN0";;;;;;;2.87;;0.37;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM429593;MM429593;C=CC1(CO)CC2OC2C1;UDHJWDFKHCFCAJ-UHFFFAOYSA-N;140.18;0.71;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC5_SNa";;;;;;;1.64;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM429594;MM429594;CC(C)c1cc(CN)c[nH]1;ITDNUZLTVFYDOZ-UHFFFAOYSA-N;138.21;1.6;;;;;DOPC;MDCG;27;1;"MARTINI bead: SC4_SP1";;;;;;;1.37;;-1.92;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM429595;MM429595;CCC1=CCC(NC=N)=C1;CDOIBSCJVQUUQW-UHFFFAOYSA-N;136.2;1.81;;;;;DOPC;MDCG;27;1;"MARTINI bead: SC3_SNd";;;;;;;2.57;;-2.21;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM429596;MM429596;NCC1(CCC=NO)CN1;ZXAITMGVEXOQDR-UHFFFAOYSA-N;143.19;-0.47;;;;;DOPC;MDCG;27;1;"MARTINI bead: SP2_P1";;;;;;;-1.06;;-5.78;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM429597;MM429597;CCCC=CC(C=O)=CF;IHEXFTZFFDIHNZ-UHFFFAOYSA-N;142.17;2.4;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1_Na";;;;;;;2.91;;0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM429598;MM429598;COC(=CF)C1CC1C#N;GKJKYPHXUNTITO-UHFFFAOYSA-N;141.15;1.6;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_SN0";;;;;;;1.94;;0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM429599;MM429599;N#CC1(CO)CC2OC2C1;WXBUYPHSJXTZAN-UHFFFAOYSA-N;139.15;0.05;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNda_SNa";;;;;;;0.87;;-1.99;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM429600;MM429600;CC(C)CC1(O)CC1C;HTOUAGJQDAFESN-UHFFFAOYSA-N;128.22;1.8;;;;;DOPC;MDCG;27;0;"MARTINI bead: C3_SNda";;;;;;;2.57;;0.44;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM429601;MM429601;CCC1=CCC(NC=O)=C1;AJXNWADLGDIDSL-UHFFFAOYSA-N;137.18;1.36;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC3_SNda";;;;;;;2.57;;0.44;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM429602;MM429602;CCC1(CN=CNC)CN1;YCRAICPMOFDSFK-UHFFFAOYSA-N;141.22;-0.01;;;;;DOPC;MDCG;27;1;"MARTINI bead: SNd_P3";;;;;;;-1.1;;-7.23;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM429603;MM429603;CCCC=CC(C#N)=CF;RRIXGINXSQLATN-UHFFFAOYSA-N;139.17;2.72;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1_Na";;;;;;;2.91;;0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM429604;MM429604;C=CC1(OC)CC2OC2C1;QXZCBBNDERPZCL-UHFFFAOYSA-N;140.18;1.12;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC4_SNa";;;;;;;2.2;;0.34;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM429605;MM429605;COC(=NO)C1CC1C=O;JKRLVEFZSAUANZ-UHFFFAOYSA-N;143.14;0.26;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda_SNa";;;;;;;0.87;;-1.99;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM429606;MM429606;N=CNC1=CC(CN)=CC1;DYMCWXITGKLAIV-UHFFFAOYSA-N;137.19;0.36;;;;;DOPC;MDCG;27;1;"MARTINI bead: SNd_SNd";;;;;;;0.87;;-5.61;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM429607;MM429607;COc1c[nH]c(C(C)C)c1;HDOIBTULXVGPPL-UHFFFAOYSA-N;139.2;2.15;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNa_SC4";;;;;;;2.2;;0.34;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM429608;MM429608;CCC1(CN=CNN)CN1;CNQDOXGCDITHMH-UHFFFAOYSA-N;142.21;-0.77;;;;;DOPC;MDCG;27;1;"MARTINI bead: SNd_P4";;;;;;;-1.19;;-6.5;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM429609;MM429609;C=C(C=CC)CC(O)CC;WQGSATCOMUHSOZ-UHFFFAOYSA-N;140.23;2.28;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda_C1";;;;;;;2.91;;0.57;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM429610;MM429610;C=CC1(CN)CC2CN2C1;UXXPVCYCXYPKLH-UHFFFAOYSA-N;138.21;0.21;;;;;DOPC;MDCG;27;1;"MARTINI bead: SP1_SNd";;;;;;;0.04;;-4.75;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM429611;MM429611;COC(=NO)C1CC1C#N;WTYYBCUHFMSWBB-UHFFFAOYSA-N;140.14;0.58;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda_SN0";;;;;;;1.17;;-1.13;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM429612;MM429612;C=CC1=CCC(C(C)C)=C1;VWJLNEUTYRHUKQ-UHFFFAOYSA-N;134.22;3.08;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC3_SC4";;;;;;;3.9;;0.47;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM429613;MM429613;CN=CNCC1(CN)CN1;VFTXVQASKZWMPT-UHFFFAOYSA-N;142.21;-1.47;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1_SP2";;;;;;;-1.06;;-7.14;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM429614;MM429614;NCC1=CCC(NC=O)=C1;QKOGZYHNNHBKQO-UHFFFAOYSA-N;138.17;-0.09;;;;;DOPC;MDCG;27;1;"MARTINI bead: SNd_SNda";;;;;;;0.87;;-3.81;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM429615;MM429615;C=C(C=CF)CC(O)CC;STVWEBAKVKAOFE-UHFFFAOYSA-N;144.19;2.19;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda_C4";;;;;;;2.2;;0.49;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM429616;MM429616;C=CC1(NC)CC2CN2C1;PXVFRCNQHGYQLM-UHFFFAOYSA-N;138.21;0.22;;;;;DOPC;MDCG;27;1;"MARTINI bead: SP1_SNd";;;;;;;0.04;;-4.59;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM429617;MM429617;C=CC1NC1C(=CC)CC;SYBBIIDGDWXVEN-UHFFFAOYSA-N;137.23;1.87;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1_SP1";;;;;;;2.08;;0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM429618;MM429618;CC(C)C1=CC(C=O)=CC1;QJNKATQOLGYEHH-UHFFFAOYSA-N;136.19;2.1;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC3_SNa";;;;;;;2.57;;0.45;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM429619;MM429619;NN=CNCC1(CO)CN1;WQYSLCQQRXSZLX-UHFFFAOYSA-N;144.18;-2.19;;;;;DOPC;MDCG;27;1;"MARTINI bead: P3_SP2";;;;;;;-2.2;;-6.2;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM429620;MM429620;N=CNC1=CC(CO)=CC1;ZFYGSUKRFXEHBN-UHFFFAOYSA-N;138.17;0.39;;;;;DOPC;MDCG;27;1;"MARTINI bead: SNda_SNd";;;;;;;0.87;;-5.37;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM429621;MM429621;O=CC(C=CCCF)=CF;MSVKMILCQRMDLN-UHFFFAOYSA-N;146.14;1.95;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_Na";;;;;;;1.64;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM429622;MM429622;C=CC1NC1C(=CF)CC;WYFXVKWZTROGAW-UHFFFAOYSA-N;141.19;1.78;;;;;DOPC;MDCG;27;0;"MARTINI bead: C3_SP1";;;;;;;1.74;;0.3;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM429623;MM429623;C#CC1(CN)CC2CC2C1;JSDDFFXNDUKXEK-UHFFFAOYSA-N;135.21;0.99;;;;;DOPC;MDCG;27;1;"MARTINI bead: SNd_SC4";;;;;;;2.2;;-1.93;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM429624;MM429624;CC(C)C1=CC(C#N)=CC1;YCELBFHOAQOPEZ-UHFFFAOYSA-N;133.19;2.42;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC3_SN0";;;;;;;2.87;;0.37;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM429625;MM429625;CC=NNCC1(CN)CN1;LGHANKVOXMEJFS-UHFFFAOYSA-N;142.21;-1.12;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_SP2";;;;;;;-0.24;;-4.81;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM429626;MM429626;C=CC(C=CCNC)=CC;NTIFSDMJCIROJT-UHFFFAOYSA-N;137.23;1.89;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_C1";;;;;;;2.91;;-0.18;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM429627;MM429627;O=CNC1=CC(CO)=CC1;STJUBMUWZFAECV-UHFFFAOYSA-N;139.15;-0.06;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNda_SNda";;;;;;;0.87;;-2.07;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM429628;MM429628;C=CC1NC1C(=CC)CF;VHYTVRROEBDKIS-UHFFFAOYSA-N;141.19;1.43;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4_SP1";;;;;;;1.37;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM429629;MM429629;C=CCN1CC(=O)C1C;CJWHSVQOWZMNDT-UHFFFAOYSA-N;125.17;0.45;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP2_C4";;;;;;;1.09;;-0.38;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM429630;MM429630;C=CC1=CCC(C(C)N)=C1;ZCHMCESJBALREA-UHFFFAOYSA-N;135.21;1.78;;;;;DOPC;MDCG;27;1;"MARTINI bead: SNd_SC4";;;;;;;2.2;;-1.88;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM429631;MM429631;CC1C(O)CC2(C)C(C)C12;VRDXSAWOXVHMCE-UHFFFAOYSA-N;140.23;1.66;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNda_SC4";;;;;;;2.2;;0.49;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM429632;MM429632;N=CNC1=CC(CF)=CC1;XIICRQHRVJEGCT-UHFFFAOYSA-N;140.16;1.37;;;;;DOPC;MDCG;27;1;"MARTINI bead: SC5_SNd";;;;;;;1.64;;-3.34;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM429633;MM429633;C=CC(C=CCNC)=CF;NZEAPXPMXRWHCB-UHFFFAOYSA-N;141.19;1.8;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_C4";;;;;;;2.2;;-1.8;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM429634;MM429634;C=CC1=CCC(C(C)O)=C1;XXJBKVDTZXPAHD-UHFFFAOYSA-N;136.19;1.81;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNda_SC4";;;;;;;2.2;;0.49;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM429635;MM429635;N=Cn1ncc(N)cc1=O;UPCXPTLEJFJETN-UHFFFAOYSA-N;138.13;-0.72;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP1_SP2";;;;;;;-1.06;;-3.82;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM429636;MM429636;C#CC1(NC)CC2CC2C1;XARSHXMEUYMFAJ-UHFFFAOYSA-N;135.21;1.01;;;;;DOPC;MDCG;27;1;"MARTINI bead: SNd_SC4";;;;;;;2.2;;-1.5;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM429637;MM429637;CC=COCC1(CN)CN1;JZCOZNPJRIHNIS-UHFFFAOYSA-N;142.2;-0.16;;;;;DOPC;MDCG;27;1;"MARTINI bead: C5_SP2";;;;;;;0.54;;-3.01;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM429638;MM429638;CC=C(C=O)C=CCNC;VTMAWKKSWDFGHU-UHFFFAOYSA-N;139.2;0.91;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_Na";;;;;;;0.87;;-4.16;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM429639;MM429639;O=CNC1=CC(CF)=CC1;WPAKTYOXLYAKEK-UHFFFAOYSA-N;141.15;0.92;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC5_SNda";;;;;;;1.64;;0.05;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM429640;MM429640;CC(O)C1=CC(C=O)=CC1;XMUFYWAUSROHSK-UHFFFAOYSA-N;138.17;0.82;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNda_SNa";;;;;;;0.87;;-1.99;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM429641;MM429641;C#CC1(CC)CC2CC2N1;BMBOCPWVAHDQGT-UHFFFAOYSA-N;135.21;1.15;;;;;DOPC;MDCG;27;1;"MARTINI bead: SN0_SNd";;;;;;;1.17;;-3.7;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM429642;MM429642;CCc1c[nH]c(N=N)c1N;DYMSSVCCLHAZNG-UHFFFAOYSA-N;138.17;1.82;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC5_SP1";;;;;;;0.81;;-0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM429643;MM429643;C=CCC(CC)(CC)CO;AFONSRVDBRUZAT-UHFFFAOYSA-N;142.24;2.36;;;;;DOPC;MDCG;27;0;"MARTINI bead: C3_C4";;;;;;;3.9;;0.47;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM429644;MM429644;CC=C(C#N)C=CCNC;HYBBFTZMYXVJAT-UHFFFAOYSA-N;136.2;1.23;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_C5";;;;;;;1.64;;-2.27;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM429645;MM429645;COC1=CCC(NC=N)=C1;IYEBXXWUIYGJBN-UHFFFAOYSA-N;138.17;1;;;;;DOPC;MDCG;27;1;"MARTINI bead: SNa_SNd";;;;;;;0.87;;-5.04;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM429646;MM429646;CC(O)C1=CC(C#N)=CC1;NRZJXMBVYNNGFC-UHFFFAOYSA-N;135.17;1.15;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNda_SN0";;;;;;;1.17;;-1.13;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM429647;MM429647;C#CC1(CN)CC2NC2C1;KHSZBLMHEOIKKE-UHFFFAOYSA-N;136.2;-0.3;;;;;DOPC;MDCG;27;1;"MARTINI bead: SNd_SNd";;;;;;;0.87;;-4.62;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM429648;MM429648;C=CC1NC1C(CC)=NN;YJRJXIIZGJZFHX-UHFFFAOYSA-N;139.2;0.24;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nd_SP1";;;;;;;0.04;;-2.63;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM429649;MM429649;CNCC=CC(C=O)=CN;BARXPIDKQJMUGS-UHFFFAOYSA-N;140.19;-0.2;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_P2";;;;;;;-0.24;;-5.43;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM429650;MM429650;FC=COCC1(CF)CN1;LSMFOJSUZQQVGO-UHFFFAOYSA-N;149.14;0.76;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP1_N0";;;;;;;0.34;;-1.53;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM429651;MM429651;COC1=CCC(NC=O)=C1;IOKQWFKLWVMCLJ-UHFFFAOYSA-N;139.15;0.55;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNa_SNda";;;;;;;0.87;;-1.99;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM429652;MM429652;CC(F)C1=CC(C#N)=CC1;ZLJXYNKCTRSKIS-UHFFFAOYSA-N;137.16;2.12;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC4_SN0";;;;;;;2.5;;0.44;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM429653;MM429653;C#CC1(CO)CC2OC2C1;PZGAPYBGISZTFY-UHFFFAOYSA-N;138.17;0.16;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNda_SNa";;;;;;;0.87;;-1.99;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM429654;MM429654;C=CC1NC1C(CC)=NO;WRNFMFPVCSVXMH-UHFFFAOYSA-N;140.19;0.75;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda_SP1";;;;;;;0.04;;-2.73;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM429655;MM429655;CNCC=CC(C#N)=CF;IAOUUXYNGKHWEZ-UHFFFAOYSA-N;140.16;1.14;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_Na";;;;;;;0.87;;-4.26;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM429656;MM429656;CC=NOCC1(CN)CN1;QEEDGEQWINRSAI-UHFFFAOYSA-N;143.19;-0.69;;;;;DOPC;MDCG;27;1;"MARTINI bead: Na_SP2";;;;;;;-0.24;;-5.15;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM429657;MM429657;C=COC1=CC(CC)=CC1;HQOFVRSCZLIMLS-UHFFFAOYSA-N;136.19;2.77;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC3_SC5";;;;;;;3.34;;0.48;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM429658;MM429658;C=Cc1c[nH]c(C(C)N)c1;USKFNKPNZSGVPH-UHFFFAOYSA-N;136.2;1.68;;;;;DOPC;MDCG;27;1;"MARTINI bead: SNd_SN0";;;;;;;1.17;;-2.67;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM429659;MM429659;C#CC1(OC)CC2OC2C1;VLDIBLIYRFCOED-UHFFFAOYSA-N;138.17;0.57;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC5_SNa";;;;;;;1.64;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM429660;MM429660;CC=NOCC1(CF)CN1;IOHIGCUTGDEIGQ-UHFFFAOYSA-N;146.17;0.32;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_SP1";;;;;;;0.04;;-2.54;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM429661;MM429661;CCC(=NO)C1NC1C=O;JUKBMTQLSBQLDO-UHFFFAOYSA-N;142.16;-0.23;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda_SP2";;;;;;;-0.24;;-3.31;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM429662;MM429662;CC=C(C=O)C=CCOC;ABJHHYOMHAKIMZ-UHFFFAOYSA-N;140.18;1.33;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_Na";;;;;;;0.87;;-2.22;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM429663;MM429663;C=COC1=CC(CN)=CC1;NLIAPDAQGCENDS-UHFFFAOYSA-N;137.18;1.32;;;;;DOPC;MDCG;27;1;"MARTINI bead: SNd_SC5";;;;;;;1.64;;-2.09;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM429664;MM429664;C#CC1(CC)CC2CN2C1;YDSZEUSNBOPJAP-UHFFFAOYSA-N;135.21;1.1;;;;;DOPC;MDCG;27;1;"MARTINI bead: SN0_SNd";;;;;;;1.17;;-2.19;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM429665;MM429665;C#CC1=CCC(C(C)C)=C1;KJDAKFMNISDYNJ-UHFFFAOYSA-N;132.21;2.53;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC3_SC5";;;;;;;3.34;;0.48;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM429666;MM429666;N#CC(O)C#CC(=O)O;ZTMJAZNDEPFAEH-UHFFFAOYSA-N;125.08;-1.04;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_P1";;;;;;;-0.79;;-9.04;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM429667;MM429667;CC=CCCC1(CC)CO1;HSRORBRAUYHEPS-UHFFFAOYSA-N;140.23;2.52;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNa_C1";;;;;;;2.91;;0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM429668;MM429668;COCC=CC(C#N)=CF;AXLXKGUYWBHIOT-UHFFFAOYSA-N;141.15;1.57;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_Na";;;;;;;0.87;;-2.22;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM429669;MM429669;C=CC1(C=C)CC2CC2C1;MCPWBWTZOXEKTR-UHFFFAOYSA-N;134.22;2.77;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC2_SC4";;;;;;;4.16;;0.44;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM429670;MM429670;C=COC1=CC(CO)=CC1;WIZLSJUEJTYRLD-UHFFFAOYSA-N;138.17;1.35;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNda_SC5";;;;;;;1.64;;0.05;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM429671;MM429671;C#CC1=CCC(C(C)N)=C1;ONJLLQLEHOCPMF-UHFFFAOYSA-N;133.19;1.22;;;;;DOPC;MDCG;27;1;"MARTINI bead: SNd_SC5";;;;;;;1.64;;-2.35;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM429672;MM429672;C=CC1NC1C(=NC)NN;QRIXIUOTZXNZOH-UHFFFAOYSA-N;140.19;-1;;;;;DOPC;MDCG;27;1;"MARTINI bead: P3_SP1";;;;;;;-1.93;;-5.89;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM429673;MM429673;CCC1(CCC=CF)CO1;ZMUFZZBQUAOFBO-UHFFFAOYSA-N;144.19;2.43;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNa_C3";;;;;;;2.57;;0.45;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM429674;MM429674;C=CC(C=COCC)=CC;VGZDZHXODPPINV-UHFFFAOYSA-N;138.21;2.67;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_C1";;;;;;;2.91;;0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM429675;MM429675;C=CC1(C#N)CC2CC2C1;DDOPBNIIQYIAFE-UHFFFAOYSA-N;133.19;2.11;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC5_SC4";;;;;;;2.97;;0.45;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM429676;MM429676;C=COC1=CC(CF)=CC1;HEJKFMIOBQPPAL-UHFFFAOYSA-N;140.16;2.33;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC5_SC5";;;;;;;2.41;;0.64;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM429677;MM429677;C#CC1=CCC(C(C)O)=C1;BGVHKXLBVCYVQF-UHFFFAOYSA-N;134.18;1.26;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNda_SC5";;;;;;;1.64;;0.05;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM429678;MM429678;C=CC1NC1C(=CC)OC;JXQJVYFIFUGTFZ-UHFFFAOYSA-N;139.2;1.06;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_SP1";;;;;;;0.81;;-0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM429679;MM429679;CC=CCCC1(CN)CO1;VFTKCKRTQPEWLY-UHFFFAOYSA-N;141.21;1.07;;;;;DOPC;MDCG;27;1;"MARTINI bead: C1_SP2";;;;;;;1.8;;-0.95;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM429680;MM429680;C=CC1(C=C)CC2CC2N1;SUNSUMQZUMPPCM-UHFFFAOYSA-N;135.21;1.48;;;;;DOPC;MDCG;27;1;"MARTINI bead: SN0_SNd";;;;;;;1.17;;-3.42;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM429681;MM429681;C=CC(C=COCC)=CF;JECQKGLZYCGKEJ-UHFFFAOYSA-N;142.17;2.58;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_C4";;;;;;;2.97;;0.45;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM429682;MM429682;C#CC1=CCC(C(C)F)=C1;ISRZQFMJURIZPC-UHFFFAOYSA-N;136.17;2.23;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC4_SC5";;;;;;;2.97;;0.45;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM429683;MM429683;C=COC1=CC(OC)=CC1;GOBUAWAHTVZZCS-UHFFFAOYSA-N;138.17;1.96;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNa_SC5";;;;;;;1.64;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM429684;MM429684;CC(=O)N(C)N=CN;MKSTUAIGODZVNO-UHFFFAOYSA-N;115.14;-0.63;;;;;DOPC;MDCG;27;0;"MARTINI bead: P3_Na";;;;;;;-1.1;;-4.2;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM429685;MM429685;OCC1(CCC=CF)CO1;VJXKEUIPWMMLSV-UHFFFAOYSA-N;146.16;1.01;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP1_C4";;;;;;;1.37;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM429686;MM429686;C=CC1(C=C)CC2OC2C1;JNEJAQPPEWBGQE-UHFFFAOYSA-N;136.19;1.91;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC2_SNa";;;;;;;2.83;;0.35;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM429687;MM429687;CC=C(C#N)C=COCC;JUFKYEPJYAQJMD-UHFFFAOYSA-N;137.18;2.01;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_C5";;;;;;;1.64;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM429688;MM429688;C=C(C)C1=CC(CC)=CC1;ATFCFPYVFDEAAY-UHFFFAOYSA-N;134.22;3.23;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC3_SC3";;;;;;;4.27;;0.2;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM429689;MM429689;C=CCc1cc(CC)c[nH]1;JBXQFDAVKWBPED-UHFFFAOYSA-N;135.21;2.31;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC5_SC5";;;;;;;2.41;;0.64;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM429690;MM429690;CCC1(CCC=NN)CO1;TUCMRNYBGHCIDN-UHFFFAOYSA-N;142.2;0.89;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNa_Nd";;;;;;;0.87;;-1.88;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM429691;MM429691;C=CC1(C=O)CC2OC2C1;HTOLIADMOHRLLL-UHFFFAOYSA-N;138.17;0.92;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC5_SNa";;;;;;;1.64;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM429692;MM429692;CCOC=CC(C=O)=CN;QSLJJOAVBQKBMT-UHFFFAOYSA-N;141.17;0.58;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_P2";;;;;;;0.54;;-1.09;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM429693;MM429693;COC(=CF)C1NC1C#N;JVULQTBMCBMUFX-UHFFFAOYSA-N;142.13;0.31;;;;;DOPC;MDCG;27;0;"MARTINI bead: N0_SP2";;;;;;;0.06;;-2.21;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM429694;MM429694;C=C(C)C1=CC(CN)=CC1;JJQIMKGYVVZIOZ-UHFFFAOYSA-N;135.21;1.78;;;;;DOPC;MDCG;27;1;"MARTINI bead: SC3_SNd";;;;;;;2.57;;-0.93;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM429695;MM429695;CCc1c[nH]c(CC#N)c1;RXPRDRJTDBKLTL-UHFFFAOYSA-N;134.18;1.64;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC5_SNd";;;;;;;1.64;;0.02;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM429696;MM429696;CCOC=CC(C=O)=CF;CQSHMKBDDBQJPB-UHFFFAOYSA-N;144.15;1.59;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_Na";;;;;;;0.87;;-2.22;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM429697;MM429697;C=CC1(C#N)CC2OC2C1;FSAMDJCMMAJBNS-UHFFFAOYSA-N;135.17;1.24;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC5_SNa";;;;;;;1.64;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM429698;MM429698;CCC1(CCC=NO)CO1;WGJGWDJAAOQRTK-UHFFFAOYSA-N;143.19;1.41;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNa_P1";;;;;;;0.04;;-2.54;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM429699;MM429699;C=CC1OC1C(=CC)CC;FUJKJYQBNJWLQX-UHFFFAOYSA-N;138.21;2.3;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1_SNa";;;;;;;2.91;;0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM429700;MM429700;C=C(C)C1=CC(CO)=CC1;QAIFJWNRZSLMDE-UHFFFAOYSA-N;136.19;1.81;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC3_SNda";;;;;;;2.57;;0.44;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM429701;MM429701;C=CCc1cc(CN)c[nH]1;OTEFTPNMHUNCHC-UHFFFAOYSA-N;136.2;1.2;;;;;DOPC;MDCG;27;1;"MARTINI bead: SP1_SC5";;;;;;;0.81;;-2.4;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM429702;MM429702;C=CC(C=CCCC)=NN;JIKKHBURNOWAAS-UHFFFAOYSA-N;138.21;1.84;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1_Nd";;;;;;;2.91;;0.64;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM429703;MM429703;CCC1(CNC=NC)CO1;GNKMHQKGFBGGEB-UHFFFAOYSA-N;142.2;0.41;;;;;DOPC;MDCG;27;1;"MARTINI bead: SNa_P1";;;;;;;0.04;;-5.64;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM429704;MM429704;N#CC1(C#N)CC2OC2C1;QNRICZANMFIHOP-UHFFFAOYSA-N;134.14;0.58;;;;;DOPC;MDCG;27;0;"MARTINI bead: SN0_SNa";;;;;;;1.17;;-1.18;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM429705;MM429705;C=C(C)C1=CC(CF)=CC1;OFCOZZGRSUJOHJ-UHFFFAOYSA-N;138.19;2.79;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC3_SC5";;;;;;;3.34;;0.48;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM429706;MM429706;C=CC1OC1C(=CF)CC;AZVGJGSJYGNYOG-UHFFFAOYSA-N;142.17;2.2;;;;;DOPC;MDCG;27;0;"MARTINI bead: C3_SNa";;;;;;;2.57;;0.45;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM429707;MM429707;C=CCc1cc(CO)c[nH]1;OEXUSCCODAYQDK-UHFFFAOYSA-N;137.18;1.24;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNda_SC5";;;;;;;1.64;;0.05;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM429708;MM429708;C=CC(C=CCCF)=NN;JGQDYPOSQCDXLW-UHFFFAOYSA-N;142.18;1.4;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nd_C5";;;;;;;1.64;;0.02;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM429709;MM429709;CCC1(C)COC(=NN)O1;FACMCYZPRNXNCJ-UHFFFAOYSA-N;144.17;0.43;;;;;DOPC;MDCG;27;0;"MARTINI bead: SN0_SP2";;;;;;;0.06;;-2.21;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM429710;MM429710;C=CC1(C=C)CC2CN2C1;ZIYAHBZZJOVJGT-UHFFFAOYSA-N;135.21;1.43;;;;;DOPC;MDCG;27;0;"MARTINI bead: SN0_SNd";;;;;;;1.17;;-1.04;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM429711;MM429711;C=CC1OC1C(=CC)CN;JIEOJTQYGPTWPX-UHFFFAOYSA-N;139.2;0.84;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_SNa";;;;;;;0.87;;-4.05;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM429712;MM429712;CCC1=CCC(C(C)=O)=C1;KVEQJFDUONCWFO-UHFFFAOYSA-N;136.19;2.24;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC3_SNa";;;;;;;2.57;;0.45;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM429713;MM429713;N#CCc1cc(CO)c[nH]1;INKGENMYFOENFO-UHFFFAOYSA-N;136.15;0.57;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNda_SNd";;;;;;;0.87;;-1.92;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM429714;MM429714;C#CCNC=NN=C(C)C;ZOSUHQLEQCVMSX-UHFFFAOYSA-N;137.19;0.63;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_P2";;;;;;;0.54;;-1.09;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM429715;MM429715;CN=CNCC1(CN)CO1;OYGUASMDYBYOPZ-UHFFFAOYSA-N;143.19;-1.04;;;;;DOPC;MDCG;27;1;"MARTINI bead: P2_SP2";;;;;;;-1.34;;-7.37;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM429716;MM429716;C#CC1(C=C)CC2CC2C1;SJCMFMRMCVFADC-UHFFFAOYSA-N;132.21;2.22;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC4_SC4";;;;;;;3.53;;0.53;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM429717;MM429717;C=CC1OC1C(=CF)CN;HGGDNXNHNZMWGC-UHFFFAOYSA-N;143.16;0.75;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1_SNa";;;;;;;0.04;;-4.62;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM429718;MM429718;CC(=O)C1=CC(CO)=CC1;FYOHYRAGTPMMTR-UHFFFAOYSA-N;138.17;0.82;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNa_SNda";;;;;;;0.87;;-1.99;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM429719;MM429719;C=CCc1cc(CF)c[nH]1;IDGSQKJTQFVZFY-UHFFFAOYSA-N;139.17;2.21;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNa_SC5";;;;;;;1.64;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM429720;MM429720;C=CC(C=CCCN)=NO;MAGOWMYVINROPF-UHFFFAOYSA-N;140.19;0.91;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_Nda";;;;;;;0.87;;-4.67;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM429721;MM429721;NCC1(CNC=NO)CO1;DSULWWOHJJCLQH-UHFFFAOYSA-N;145.16;-1.28;;;;;DOPC;MDCG;27;1;"MARTINI bead: SP2_P3";;;;;;;-2.2;;-6.3;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM429722;MM429722;C#CC1(C=O)CC2CC2C1;AFQDWXMGAMPAOP-UHFFFAOYSA-N;134.18;1.23;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC5_SC4";;;;;;;2.97;;0.45;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM429723;MM429723;CC(=O)C1=CC(CF)=CC1;HVQLSNJZJTUYMO-UHFFFAOYSA-N;140.16;1.8;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNa_SC5";;;;;;;1.64;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM429724;MM429724;C=CC1OC1C(=CC)CO;HECOSBSVXDAIMF-UHFFFAOYSA-N;140.18;0.88;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda_SNa";;;;;;;0.87;;-1.99;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM429725;MM429725;N#CCc1cc(CF)c[nH]1;ZLSNXPZKGDJCEB-UHFFFAOYSA-N;138.15;1.55;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNa_SNd";;;;;;;0.87;;-1.88;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM429726;MM429726;CC=NNCC1(CC)CO1;VBVWPLGIKOOSNC-UHFFFAOYSA-N;142.2;0.76;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNa_Nd";;;;;;;0.87;;-1.88;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM429727;MM429727;C=CCCC1C(C)C1(C)O;JITNQVZWXMXUQE-UHFFFAOYSA-N;140.23;1.97;;;;;DOPC;MDCG;27;0;"MARTINI bead: C3_SNda";;;;;;;2.57;;0.44;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM429728;MM429728;C#CC1(C#N)CC2CC2C1;GXQPBFXQRZTOHW-UHFFFAOYSA-N;131.18;1.56;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC5_SC4";;;;;;;2.97;;0.45;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM429729;MM429729;CCC1=CCC(C(=N)N)=C1;UBJFLOGGHZEKFA-UHFFFAOYSA-N;136.2;1.59;;;;;DOPC;MDCG;27;1;"MARTINI bead: SC3_SNd";;;;;;;2.57;;-5.09;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM429730;MM429730;C=CC1OC1C(=CC)CF;OVXULYVZUPNCQJ-UHFFFAOYSA-N;142.17;1.86;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4_SNa";;;;;;;2.2;;0.34;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM429731;MM429731;C=C(CC)OC(C)=NN;KUWCOICIHPYJIG-UHFFFAOYSA-N;128.18;1.22;;;;;DOPC;MDCG;27;0;"MARTINI bead: C3_P2";;;;;;;1.46;;-0.15;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM429732;MM429732;O=CC(C=CCCO)=NO;BSNYRLONXPIUOS-UHFFFAOYSA-N;143.14;-0.05;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda_P1";;;;;;;0.04;;-2.73;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM429733;MM429733;CC=NNCC1(CN)CO1;ABLLYYCUESLKDH-UHFFFAOYSA-N;143.19;-0.69;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_SP2";;;;;;;-0.24;;-4.87;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM429734;MM429734;C#CC1(C=C)CC2OC2C1;MBZYQSWUESCGAK-UHFFFAOYSA-N;134.18;1.35;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC4_SNa";;;;;;;2.2;;0.34;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM429735;MM429735;N=C(N)C1=CC(CN)=CC1;AQTJHCRFZSBMJL-UHFFFAOYSA-N;137.19;0.14;;;;;DOPC;MDCG;27;1;"MARTINI bead: SNd_SNd";;;;;;;0.87;;-8.36;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM429736;MM429736;CCC(=CF)C1OC1C=O;IPWJHVMTRSRJFX-UHFFFAOYSA-N;144.15;1.22;;;;;DOPC;MDCG;27;0;"MARTINI bead: C3_SP2";;;;;;;1.46;;-0.15;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM429737;MM429737;CNc1c[nH]c(CC#N)c1;MVYGNJQVYLVCTD-UHFFFAOYSA-N;135.17;1.12;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNd_SNd";;;;;;;0.87;;-2.11;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM429738;MM429738;C=CC(C=CCOC)=NN;PCSPAABXXPKUDX-UHFFFAOYSA-N;140.19;0.69;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_Nd";;;;;;;0.87;;-1.88;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM429739;MM429739;CC=COCC1(CC)CO1;XOTSLNSTJKGINX-UHFFFAOYSA-N;142.2;1.72;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNa_C5";;;;;;;1.64;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM429740;MM429740;C#CC1(C#N)CC2OC2C1;FPBVWOYRSLDEDB-UHFFFAOYSA-N;133.15;0.69;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC5_SNa";;;;;;;1.64;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM429741;MM429741;N=C(N)C1=CC(CO)=CC1;NFMATQFELKNEIX-UHFFFAOYSA-N;138.17;0.17;;;;;DOPC;MDCG;27;1;"MARTINI bead: SNd_SNda";;;;;;;0.87;;-8.11;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM429742;MM429742;CC=C(CO)C1OC1C=O;JYIUWRXZQNWNDO-UHFFFAOYSA-N;142.15;-0.11;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda_SP2";;;;;;;-0.24;;-3.31;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM429743;MM429743;C=CCc1cc(OC)c[nH]1;YASIPUBEJOZMDK-UHFFFAOYSA-N;137.18;1.75;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNa_SC5";;;;;;;1.64;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM429744;MM429744;C#CC1(C=C)CC2CN2C1;CQANFULAFPWSDJ-UHFFFAOYSA-N;133.19;0.88;;;;;DOPC;MDCG;27;1;"MARTINI bead: SP1_SNd";;;;;;;0.04;;-3.69;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM429745;MM429745;C=CC(=CC=NCC)NN;MKTTUNCWLUCCHS-UHFFFAOYSA-N;139.2;0.61;;;;;DOPC;MDCG;27;1;"MARTINI bead: C5_Nd";;;;;;;1.64;;-3.66;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM429746;MM429746;CCC1(COC=CF)CO1;GKELJHYTPBGVFN-UHFFFAOYSA-N;146.16;1.62;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNa_N0";;;;;;;1.17;;-1.18;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM429747;MM429747;N=C(N)C1=CC(CF)=CC1;KVASHBQZTMKSRX-UHFFFAOYSA-N;140.16;1.15;;;;;DOPC;MDCG;27;1;"MARTINI bead: SNd_SC5";;;;;;;1.64;;-6.32;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM429748;MM429748;C=CC1OC1C(CC)=NN;FKBFMGYAWDMNDB-UHFFFAOYSA-N;140.19;0.66;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nd_SNa";;;;;;;0.87;;-1.88;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM429749;MM429749;COc1c[nH]c(CC#N)c1;IBXYNVUKANQKAK-UHFFFAOYSA-N;136.15;1.09;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNa_SNd";;;;;;;0.87;;-1.88;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM429750;MM429750;C=CC(=CC=NCC)NO;MZFBYXBDTTZBEW-UHFFFAOYSA-N;140.19;1.13;;;;;DOPC;MDCG;27;1;"MARTINI bead: C5_Nda";;;;;;;1.64;;-3.33;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM429751;MM429751;C#CC1(C#C)CC2CC2C1;FZWDRYJEYUZOKF-UHFFFAOYSA-N;130.19;1.67;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC5_SC4";;;;;;;2.97;;0.45;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM429752;MM429752;CC=COCC1(CN)CO1;OZKRXYNMBITLGF-UHFFFAOYSA-N;143.19;0.26;;;;;DOPC;MDCG;27;1;"MARTINI bead: C5_SP2";;;;;;;0.54;;-3.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM429753;MM429753;C=C(C)C1=CC(OC)=CC1;KAELLPBQJQOUKD-UHFFFAOYSA-N;136.19;2.42;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNa_SC3";;;;;;;2.57;;0.45;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM429754;MM429754;C=CC(C=COCC)=NN;ZGNGNXXXPKCPRS-UHFFFAOYSA-N;140.19;1.04;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_C5";;;;;;;1.64;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM429755;MM429755;C=CC1OC1C(=CF)OC;RNSJHSXHZXJSNX-UHFFFAOYSA-N;144.15;1.4;;;;;DOPC;MDCG;27;0;"MARTINI bead: N0_SNa";;;;;;;1.17;;-1.18;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM429757;MM429757;C#CC1(C#C)OC2CC2O1;XWNOFRGVBOGFFW-UHFFFAOYSA-N;134.13;0.14;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNa_SP1";;;;;;;0.04;;-2.54;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM429756;MM429756;CCc1c[nH]c(NC=N)c1;MRAARXHBUIBDLS-UHFFFAOYSA-N;137.19;1.6;;;;;DOPC;MDCG;27;1;"MARTINI bead: SC5_SP1";;;;;;;0.81;;-3.13;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM429758;MM429758;CC=COCC1(CO)CO1;HZKTWWFAJJVNSE-UHFFFAOYSA-N;144.17;0.3;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_SP2";;;;;;;0.54;;-1.09;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM429759;MM429759;COC1=CCC(C(C)=O)=C1;WROMIXUDSAYCQE-UHFFFAOYSA-N;138.17;1.44;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNa_SNa";;;;;;;0.87;;-2.22;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM429760;MM429760;C#CC1(C#C)CC2OC2C1;AZTQMKMMCQTOGJ-UHFFFAOYSA-N;132.16;0.8;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC5_SNa";;;;;;;1.64;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM429761;MM429761;C=CC(C=COCC)=NO;SYEZLFCRNUQPJM-UHFFFAOYSA-N;141.17;1.55;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_Nda";;;;;;;0.87;;-1.99;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM429762;MM429762;CC=C(OC)C1OC1C=O;HEIGHAYIQCXJGX-UHFFFAOYSA-N;142.15;0.5;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_SP2";;;;;;;0.54;;-1.09;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM429763;MM429763;N=CNc1cc(CN)c[nH]1;MYLFYLUKGWLOST-UHFFFAOYSA-N;138.17;0.49;;;;;DOPC;MDCG;27;1;"MARTINI bead: SP1_SP1";;;;;;;-0.79;;-5.76;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM429764;MM429764;C=CC1(C)COC(=NN)O1;LZTGHICAKJERJQ-UHFFFAOYSA-N;142.16;0.21;;;;;DOPC;MDCG;27;0;"MARTINI bead: SN0_SP2";;;;;;;0.06;;-2.21;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM429765;MM429765;COC1=CCC(C(=N)N)=C1;UEUSJCFMWCWJCV-UHFFFAOYSA-N;138.17;0.78;;;;;DOPC;MDCG;27;1;"MARTINI bead: SNa_SNd";;;;;;;0.87;;-8.38;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM429766;MM429766;N=CNc1cc(CO)c[nH]1;XEPWNAMTENHLLR-UHFFFAOYSA-N;139.16;0.53;;;;;DOPC;MDCG;27;1;"MARTINI bead: SNda_SP1";;;;;;;0.04;;-5.26;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM429767;MM429767;CCC1(C2C(C)C2C)CC1;MFKZNLOHZKBWCN-UHFFFAOYSA-N;138.25;3.08;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC3_SC5";;;;;;;3.34;;0.48;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM429768;MM429768;NN=c1[nH]c(O)nc(=O)o1;YJPOTBZUYNLHBT-UHFFFAOYSA-N;144.09;-2.16;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP3_SP3";;;;;;;-3.07;;-10.18;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM429769;MM429769;CC=NOCC1(CF)CO1;LCOXAONINVAGOZ-UHFFFAOYSA-N;147.15;0.75;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_SNa";;;;;;;0.87;;-2.22;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM429770;MM429770;CC=C(CC)C1CN1C=N;ZORFIQDDFHLHHY-UHFFFAOYSA-N;138.21;1.63;;;;;DOPC;MDCG;27;1;"MARTINI bead: C1_SP2";;;;;;;1.8;;-1.51;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM429771;MM429771;C=C(C)c1cc(CC)c[nH]1;JFJDSCZXGFTYAH-UHFFFAOYSA-N;135.21;2.61;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC5_SC5";;;;;;;2.41;;0.64;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM429772;MM429772;CC1C(C)C1C1(CN)CC1;VZBZDVZCSQYGQY-UHFFFAOYSA-N;139.24;1.63;;;;;DOPC;MDCG;27;1;"MARTINI bead: SC5_SNd";;;;;;;1.64;;-2.39;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM429773;MM429773;C=CC1(CCC=CC)CC1;NNYYIJJGNTZGPD-UHFFFAOYSA-N;136.24;3.31;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1_SC4";;;;;;;4.24;;0.42;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM429774;MM429774;N=CNc1cc(CF)c[nH]1;KUIOMOJROIILPE-UHFFFAOYSA-N;141.15;1.5;;;;;DOPC;MDCG;27;1;"MARTINI bead: SNa_SP1";;;;;;;0.04;;-5.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM429775;MM429775;CC=C(CN)C1CN1C=N;HREKANUOKNQTMT-UHFFFAOYSA-N;139.2;0.18;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_SP2";;;;;;;-0.24;;-5.78;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM429776;MM429776;C=CC(C=NNCC)=CC;WEMWJLQNBBHSBB-UHFFFAOYSA-N;138.21;1.71;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_C1";;;;;;;2.08;;0.48;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM429777;MM429777;C=CC1=CCC(C(=C)C)=C1;ABZBQRHRYQSRNS-UHFFFAOYSA-N;132.21;3.01;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC3_SC4";;;;;;;3.9;;0.47;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM429778;MM429778;CC1C2CCC(O)C12C;UITPOFXMLONIMT-UHFFFAOYSA-N;126.2;1.41;;;;;DOPC;MDCG;27;0;"MARTINI bead: SN0_SNda";;;;;;;1.17;;-1.13;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM429779;MM429779;CNc1c[nH]c(NC=N)c1;NLHWDJKHFBZFLV-UHFFFAOYSA-N;138.17;1.08;;;;;DOPC;MDCG;27;1;"MARTINI bead: SNd_SP1";;;;;;;0.04;;-5.13;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM429780;MM429780;CC=CCCC1(C=O)CC1;VGOZIWMJZZPQMS-UHFFFAOYSA-N;138.21;2.32;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1_SNa";;;;;;;2.91;;0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM429781;MM429781;CC=C(C=O)C=NNCC;NHTLJBIMLKXBIH-UHFFFAOYSA-N;140.19;0.73;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nd_Na";;;;;;;0.87;;-1.88;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM429782;MM429782;CC=C(CO)C1CN1C=N;HFRPPVYBTWLOPM-UHFFFAOYSA-N;140.19;0.22;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nda_SP2";;;;;;;-0.24;;-5.88;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM429783;MM429783;C=C(C)C1=CC(C=O)=CC1;KWGOEEKZMMNXGQ-UHFFFAOYSA-N;134.18;2.02;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC3_SNa";;;;;;;2.57;;0.45;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM429784;MM429784;CCC1(C2C(C)C2N)CC1;UMVFRZVZJYTABO-UHFFFAOYSA-N;139.24;1.77;;;;;DOPC;MDCG;27;1;"MARTINI bead: SC3_SNd";;;;;;;2.57;;-1.37;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM429785;MM429785;CC=CCCC1(C#N)CC1;ZVGAVNWABKWLCE-UHFFFAOYSA-N;135.21;2.65;;;;;DOPC;MDCG;27;0;"MARTINI bead: C2_SN0";;;;;;;3.13;;0.3;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM429786;MM429786;COc1c[nH]c(NC=N)c1;ZIUHAKPYJFHVPQ-UHFFFAOYSA-N;139.16;1.04;;;;;DOPC;MDCG;27;1;"MARTINI bead: SNa_SP1";;;;;;;0.04;;-4.74;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM429787;MM429787;C=C(C=CF)C(C)C(C)O;SXPWJPMZQDXNTH-UHFFFAOYSA-N;144.19;2.04;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_C1";;;;;;;2.08;;0.48;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM429788;MM429788;CC=C(CF)C1CN1C=N;VBLXEZPVZJVDPP-UHFFFAOYSA-N;142.18;1.19;;;;;DOPC;MDCG;27;1;"MARTINI bead: C4_SP2";;;;;;;1.09;;-2.91;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM429789;MM429789;C=C(C)C1=CC(C#N)=CC1;VENFVPVBLUELBO-UHFFFAOYSA-N;131.18;2.34;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC3_SN0";;;;;;;2.87;;0.37;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM429790;MM429790;O=CC1(CCC=CF)CC1;OQGMTEIZBAYZOK-UHFFFAOYSA-N;142.17;2.23;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4_SNa";;;;;;;2.2;;0.34;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM429791;MM429791;C=COc1cc(CC)c[nH]1;CGOVEARKKHMBBS-UHFFFAOYSA-N;137.18;2.1;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC5_SNda";;;;;;;1.64;;0.05;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM429792;MM429792;CC1C(N)C1C1(CO)CC1;DLBAFGHLMGPOKK-UHFFFAOYSA-N;141.21;0.35;;;;;DOPC;MDCG;27;1;"MARTINI bead: SNd_SNda";;;;;;;0.87;;-4.27;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM429793;MM429793;C=CC(C=NOCC)=CC;JWOAJVVRNQEHLZ-UHFFFAOYSA-N;139.2;2.14;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_C1";;;;;;;2.08;;0.48;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM429794;MM429794;CC=C(CC)C1CN1C=O;AYPAGXRZPXBDIV-UHFFFAOYSA-N;139.2;1.18;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1_SP2";;;;;;;1.8;;0.4;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM429795;MM429795;C=CC1=CCC(C(C)=O)=C1;SURCPXMZIDEFTJ-UHFFFAOYSA-N;134.18;2.02;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNa_SC4";;;;;;;2.2;;0.34;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM429796;MM429796;C=COc1cc(CN)c[nH]1;JPWJNRCJYMWPAB-UHFFFAOYSA-N;138.17;1;;;;;DOPC;MDCG;27;1;"MARTINI bead: SP1_SNda";;;;;;;0.04;;-4.54;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM429797;MM429797;C=CC1(CCC=NN)CC1;YNEOQZZCJSXQIM-UHFFFAOYSA-N;138.21;1.68;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nd_SC4";;;;;;;2.2;;0.32;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM429798;MM429798;C#CC(NC)C(F)C#N;UNOOKGRPEMLNLG-UHFFFAOYSA-N;126.13;0.07;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_Na";;;;;;;-0.24;;-3.24;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM429799;MM429799;C=CC(C=NOCC)=CF;BZOVULXQQSVSBE-UHFFFAOYSA-N;143.16;2.05;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_C4";;;;;;;2.2;;0.34;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM429800;MM429800;CC=C(CN)C1CN1C=O;OBKYDNPIQGQLTR-UHFFFAOYSA-N;140.19;-0.27;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_SP2";;;;;;;-0.24;;-4.95;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM429801;MM429801;CC(=O)C1=CC(C=O)=CC1;SLFLINQJVWGLQD-UHFFFAOYSA-N;136.15;1.03;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNa_SNa";;;;;;;0.87;;-2.22;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM429802;MM429802;C=COc1cc(CO)c[nH]1;CBSZXKKSLAROPP-UHFFFAOYSA-N;139.15;1.03;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNda_SNda";;;;;;;0.87;;-2.07;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM429803;MM429803;O=CC1(CCC=NO)CC1;HBUDMXIWBNVQGV-UHFFFAOYSA-N;141.17;1.21;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_SNa";;;;;;;0.04;;-2.54;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM429804;MM429804;CC1C(O)C1C1(CN)CC1;GKIVAHXXYDHQNI-UHFFFAOYSA-N;141.21;0.35;;;;;DOPC;MDCG;27;1;"MARTINI bead: SNda_SNd";;;;;;;0.87;;-4.1;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM429805;MM429805;CC=C(C=O)C=NOCC;DGCBUQSAASBUFB-UHFFFAOYSA-N;141.17;1.15;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_Na";;;;;;;0.87;;-2.22;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM429806;MM429806;CC=C(CO)C1CN1C=O;LVIIVNSQIFVENL-UHFFFAOYSA-N;141.17;-0.23;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda_SP2";;;;;;;-0.24;;-3.31;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM429807;MM429807;C=COc1cc(CF)c[nH]1;PPXKGMLHTGCCLD-UHFFFAOYSA-N;141.15;2.01;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNa_SNda";;;;;;;0.87;;-1.99;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM429808;MM429808;CC(=O)C1=CC(C#N)=CC1;HEWFJOYVWMGBFC-UHFFFAOYSA-N;133.15;1.36;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNa_SN0";;;;;;;1.17;;-1.18;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM429809;MM429809;N#CC1(CCC=NO)CC1;YTFSAXQZWOHGBD-UHFFFAOYSA-N;138.17;1.53;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_SN0";;;;;;;0.34;;-1.53;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM429810;MM429810;CCC1(C2C(N)C2N)CC1;WPBUVYYJQCDOPL-UHFFFAOYSA-N;140.23;0.46;;;;;DOPC;MDCG;27;1;"MARTINI bead: SC3_SP3";;;;;;;0.6;;-2.83;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM429811;MM429811;CC=C(C#N)C=NOCC;NNNCMBPWOKPHQQ-UHFFFAOYSA-N;138.17;1.48;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_C5";;;;;;;0.81;;-0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM429812;MM429812;CCC(=NN)C1CN1C=N;SLRBNRARJHZROZ-UHFFFAOYSA-N;140.19;;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_SP2";;;;;;;-0.24;;-5.32;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM429813;MM429813;C=CC1(CNC=NC)CC1;KRLRYPAPQNJFBE-UHFFFAOYSA-N;138.21;1.2;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1_SC4";;;;;;;1.37;;-3.55;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM429814;MM429814;C=C(CF)OC(C)=NN;OGYHHLXLOCGTFM-UHFFFAOYSA-N;132.14;0.78;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_Nd";;;;;;;0.87;;-1.88;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM429815;MM429815;C=CC1=CCC(C(=N)N)=C1;UCYZGUAINWDHTG-UHFFFAOYSA-N;134.18;1.36;;;;;DOPC;MDCG;27;1;"MARTINI bead: SNd_SC4";;;;;;;2.2;;-5.59;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM429816;MM429816;NCC1(C2C(N)C2N)CC1;SCXLSRGRFSLGBU-UHFFFAOYSA-N;141.22;-0.99;;;;;DOPC;MDCG;27;1;"MARTINI bead: SNd_SP3";;;;;;;-1.1;;-6.53;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM429817;MM429817;CCON=CC(C=O)=CF;VCHJVMVJMIUQTL-UHFFFAOYSA-N;145.13;1.06;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_Na";;;;;;;0.87;;-2.22;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM429818;MM429818;C=COc1cc(OC)c[nH]1;UXAQEYTUJQXBLN-UHFFFAOYSA-N;139.15;1.55;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNa_SNda";;;;;;;0.87;;-1.99;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM429819;MM429819;C=CC1(CNC=NN)CC1;SKXMNZULUYHTQM-UHFFFAOYSA-N;139.2;0.44;;;;;DOPC;MDCG;27;1;"MARTINI bead: P3_SC4";;;;;;;0.23;;-2.34;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM429820;MM429820;CCC(=NO)C1CN1C=N;VLGJRRDMNKZSFJ-UHFFFAOYSA-N;141.17;0.52;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nda_SP2";;;;;;;-0.24;;-6.04;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM429821;MM429821;C=Cc1c[nH]c(C(=C)C)c1;WZZGUVSRXCJAQZ-UHFFFAOYSA-N;133.19;2.69;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC5_SN0";;;;;;;1.94;;0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM429822;MM429822;NC1C(N)C1C1(CO)CC1;FQXDBQUYEXGOQI-UHFFFAOYSA-N;142.2;-0.96;;;;;DOPC;MDCG;27;1;"MARTINI bead: SP3_SNda";;;;;;;-1.1;;-5.75;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM429823;MM429823;CC#CC(=NNC)OCC;GEBMKDPMCGGYMC-UHFFFAOYSA-N;140.19;0.58;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda_N0";;;;;;;1.17;;-1.13;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM429824;MM429824;CCc1cc(NC=N)[nH]n1;VBZBHBKAIZRFTB-UHFFFAOYSA-N;138.17;0.99;;;;;DOPC;MDCG;27;1;"MARTINI bead: SNda_SP2";;;;;;;-0.24;;-4.79;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM429825;MM429825;C#CC1(C)COC(=NN)O1;YORTVDVDIVBTAP-UHFFFAOYSA-N;140.14;-0.35;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP1_SP2";;;;;;;-1.06;;-3.82;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM429826;MM429826;N=CN1CC1C(CO)=NN;CXAQCJQYTBJMEP-UHFFFAOYSA-N;142.16;-1.42;;;;;DOPC;MDCG;27;1;"MARTINI bead: P2_SP2";;;;;;;-1.34;;-6.41;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM429827;MM429827;C#CC1=CCC(C(=C)C)=C1;VNSBJGFTPCANMG-UHFFFAOYSA-N;130.19;2.45;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC3_SC5";;;;;;;3.34;;0.48;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM429828;MM429828;NC1C(O)C1C1(CO)CC1;HWJKSKPTWARSGW-UHFFFAOYSA-N;143.19;-0.92;;;;;DOPC;MDCG;27;1;"MARTINI bead: SP2_SNda";;;;;;;-0.24;;-4.97;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM429829;MM429829;C=CCC=CC(C=C)=CC;FUWMUBKFIGTEMG-UHFFFAOYSA-N;134.22;3.25;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1_C2";;;;;;;4.87;;0.53;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM429830;MM429830;CCC(=NO)C1CN1C=O;VLKLQCQLZNZPJH-UHFFFAOYSA-N;142.16;0.07;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda_SP2";;;;;;;-0.24;;-3.31;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM429831;MM429831;C=CC(=C)OC(C)=NN;MHJWRFHUOYTBHF-UHFFFAOYSA-N;126.16;0.99;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_C4";;;;;;;1.09;;-0.38;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM429832;MM429832;C=CC1(CNN=CC)CC1;XSERYZVAQBBBCH-UHFFFAOYSA-N;138.21;1.55;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nd_SC4";;;;;;;2.2;;0.32;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM429833;MM429833;C#CC1=CCC(C(C)=O)=C1;FYQMLPRRLJSUNV-UHFFFAOYSA-N;132.16;1.47;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNa_SC5";;;;;;;1.64;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM429834;MM429834;CCC1(C2C(N)C2F)CC1;TYTQVWNEXOHMAJ-UHFFFAOYSA-N;143.21;1.47;;;;;DOPC;MDCG;27;1;"MARTINI bead: SC3_SP1";;;;;;;1.74;;-0.63;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM429835;MM429835;C=CC(C=CCC=O)=CC;YQWLRFVETSLPPG-UHFFFAOYSA-N;136.19;2.26;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1_Na";;;;;;;2.91;;0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM429836;MM429836;N#CC=CC(=CN)C(=O)O;ZJGFXGHNMQOHQN-UHFFFAOYSA-N;138.13;-0.01;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_N0";;;;;;;0.34;;-7.38;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM429837;MM429837;C=CC1(COC=CC)CC1;OHJQSTMXUWKXGJ-UHFFFAOYSA-N;138.21;2.5;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_SC4";;;;;;;2.2;;0.34;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM429838;MM429838;N=CNc1cc(CN)n[nH]1;UZTVFLQWICUHAU-UHFFFAOYSA-N;139.16;-0.11;;;;;DOPC;MDCG;27;1;"MARTINI bead: SP2_SP2";;;;;;;-1.34;;-5.74;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM429839;MM429839;C#CC1=CCC(C(=N)N)=C1;BJCRULUAMRZLJV-UHFFFAOYSA-N;132.17;0.81;;;;;DOPC;MDCG;27;1;"MARTINI bead: SNd_SC5";;;;;;;1.64;;-6.31;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM429840;MM429840;CNC1(C2C(C)C2C)CC1;IEAXBMOTCBDLSN-UHFFFAOYSA-N;139.24;1.64;;;;;DOPC;MDCG;27;1;"MARTINI bead: SNd_SC5";;;;;;;1.64;;-2.81;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM429841;MM429841;C=CC(C=CCC#N)=CC;ZNDBBBATMVAWAG-UHFFFAOYSA-N;133.19;2.59;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1_N0";;;;;;;3.21;;0.46;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM429842;MM429842;CN=C(NN)C1CN1C=N;FPIRBVFBYUJGIB-UHFFFAOYSA-N;141.18;-1.23;;;;;DOPC;MDCG;27;1;"MARTINI bead: P3_SP2";;;;;;;-2.2;;-7.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM429843;MM429843;C=CC1CCC(=C(C)C)C1;FMVYHAYSDMOMBI-UHFFFAOYSA-N;136.24;3.31;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC1_SC2";;;;;;;4.87;;0.53;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM429844;MM429844;N=CNc1cc(CO)n[nH]1;NGHFGLGHEZVINE-UHFFFAOYSA-N;140.15;-0.08;;;;;DOPC;MDCG;27;1;"MARTINI bead: SP1_SP2";;;;;;;-1.06;;-5.17;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM429845;MM429845;O=CC1(COC=CF)CC1;OAXCJCCBGMNCIJ-UHFFFAOYSA-N;144.15;1.42;;;;;DOPC;MDCG;27;0;"MARTINI bead: N0_SNa";;;;;;;1.17;;-1.18;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM429846;MM429846;CNC1(C2C(C)C2F)CC1;YLUAQZOGJDXRGZ-UHFFFAOYSA-N;143.21;1.34;;;;;DOPC;MDCG;27;1;"MARTINI bead: SNd_SNa";;;;;;;0.87;;-4.43;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM429847;MM429847;C=CC(C=CCC=O)=CF;HHOOJKDJUNYMDL-UHFFFAOYSA-N;140.16;2.17;;;;;DOPC;MDCG;27;0;"MARTINI bead: C2_Na";;;;;;;2.83;;0.35;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM429848;MM429848;N=CN1CC1C(=NN)NN;AONGDLJGDMQKHE-UHFFFAOYSA-N;142.17;-1.99;;;;;DOPC;MDCG;27;1;"MARTINI bead: P4_SP2";;;;;;;-2.29;;-7.66;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM429849;MM429849;CC(C)=C1CCN(C=O)C1;CULPNOOPXLGPOI-UHFFFAOYSA-N;139.2;1.18;;;;;DOPC;MDCG;27;0;"MARTINI bead: SN0_SP1";;;;;;;0.34;;-1.53;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM429850;MM429850;N#CC1(COC=CF)CC1;ZWBDWWZKYIOMOI-UHFFFAOYSA-N;141.15;1.75;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_SN0";;;;;;;1.17;;-1.18;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM429851;MM429851;N=CNc1cc(CF)n[nH]1;ZTQHRUOTGAWQNM-UHFFFAOYSA-N;142.14;0.9;;;;;DOPC;MDCG;27;1;"MARTINI bead: SNda_SP2";;;;;;;-0.24;;-4.64;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM429852;MM429852;C=CCC=CC(C=O)=CC;MAQDMSHVVPAGHV-UHFFFAOYSA-N;136.19;2.26;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_C3";;;;;;;2.57;;0.45;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM429853;MM429853;COC1(C2C(C)C2C)CC1;WYRPCQKWPHRDSV-UHFFFAOYSA-N;140.23;2.07;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNa_SC5";;;;;;;1.64;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM429854;MM429854;CC=C1CCC(=C(C)C)C1;KYGCRESPJOOZIX-UHFFFAOYSA-N;136.24;3.45;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC1_SC1";;;;;;;4.95;;0.69;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM429855;MM429855;CN=C(NC)C1CN1C=O;NFQWIJZMSZDIQY-UHFFFAOYSA-N;141.17;-0.93;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1_SP2";;;;;;;-1.06;;-6.64;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM429856;MM429856;C#CC(CF)CN(C)N=C;WNRHDFASFQLSAA-UHFFFAOYSA-N;142.18;0.75;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_P2";;;;;;;0.54;;-1.09;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM429857;MM429857;COc1cc(NC=N)[nH]n1;DALJXAZJHOAFSV-UHFFFAOYSA-N;140.15;0.44;;;;;DOPC;MDCG;27;1;"MARTINI bead: SNda_SP2";;;;;;;-0.24;;-4.32;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM429858;MM429858;C=CCC=CC(C#N)=CC;PHDCPEKEBVGCDU-UHFFFAOYSA-N;133.19;2.59;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_C3";;;;;;;3.34;;0.48;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM429859;MM429859;COC1(C2C(N)C2N)CC1;AAYJWZUFPQTEDZ-UHFFFAOYSA-N;142.2;-0.55;;;;;DOPC;MDCG;27;1;"MARTINI bead: SNa_SP3";;;;;;;-1.1;;-6.2;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM429860;MM429860;CC(C)=C1CCC(=CF)C1;BDGPCKVPDCPRPM-UHFFFAOYSA-N;140.2;3.36;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC1_SC4";;;;;;;4.24;;0.42;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM429861;MM429861;CC=C(OC)C1CN1C=N;LYCSHPGGMQBGPJ-UHFFFAOYSA-N;140.19;0.83;;;;;DOPC;MDCG;27;1;"MARTINI bead: C5_SP2";;;;;;;0.54;;-3.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM429862;MM429862;C=CC1(CON=CC)CC1;NBVVLBBISXDOHC-UHFFFAOYSA-N;139.2;1.97;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_SC4";;;;;;;2.2;;0.34;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM429863;MM429863;C=COc1cc(CC)n[nH]1;QJWZLCDOVMZMGN-UHFFFAOYSA-N;138.17;1.49;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNda_SNda";;;;;;;0.87;;-2.07;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM429864;MM429864;CC1C(C)C1C1(CN)CN1;XWKQFOSNSIYUDJ-UHFFFAOYSA-N;140.23;0.19;;;;;DOPC;MDCG;27;1;"MARTINI bead: SC5_SP2";;;;;;;0.54;;-3.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM429865;MM429865;CC=C(C=O)C=CCC=O;NYCGJYHKALZLHR-UHFFFAOYSA-N;138.17;1.28;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_Na";;;;;;;0.87;;-2.22;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM429866;MM429866;CC(C)=C1CCC(=NO)C1;QOALJYWWYBYDMW-UHFFFAOYSA-N;139.2;2.34;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC1_SNda";;;;;;;2.91;;0.57;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM429867;MM429867;C=CC1(NCC=CC)CC1;UWUXIJISWAMJLI-UHFFFAOYSA-N;137.23;1.87;;;;;DOPC;MDCG;27;1;"MARTINI bead: C2_SNd";;;;;;;2.83;;0.32;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM429868;MM429868;CC=C(OC)C1CN1C=O;QEWPQIZSNRPUFX-UHFFFAOYSA-N;141.17;0.38;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_SP2";;;;;;;0.54;;-1.09;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM429869;MM429869;C=CCc1cc(CC)co1;QYRGIYNWLXRKRC-UHFFFAOYSA-N;136.19;2.57;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC4_SC5";;;;;;;2.97;;0.45;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM429870;MM429870;CCC1(C2C(C)C2N)CN1;DDXSWBGOJNKONW-UHFFFAOYSA-N;140.23;0.33;;;;;DOPC;MDCG;27;1;"MARTINI bead: SNd_SNd";;;;;;;0.87;;-4.43;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM429871;MM429871;CC=C(C#N)C=CCC=O;VKGSPAAKMVCYFM-UHFFFAOYSA-N;135.17;1.6;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_Na";;;;;;;1.64;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM429872;MM429872;CN=C1CCC(=C(C)C)N1;GVGRIKJJPFXXGP-UHFFFAOYSA-N;138.21;1.69;;;;;DOPC;MDCG;27;1;"MARTINI bead: SNd_SC5";;;;;;;1.64;;-3.44;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM429873;MM429873;C=NN1CC1C(=CC)CC;CTVJYYISQMMUDZ-UHFFFAOYSA-N;138.21;1.64;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1_SP2";;;;;;;1.8;;0.4;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM429874;MM429874;N#CC1(NCC=NO)CC1;OINIYLNHPYDDNZ-UHFFFAOYSA-N;139.16;0.09;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_SP2";;;;;;;-1.06;;-3.82;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM429875;MM429875;CCc1coc(CC#N)c1;CCLYGSZMTPGGRZ-UHFFFAOYSA-N;135.17;1.91;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC4_SN0";;;;;;;2.5;;0.44;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM429876;MM429876;CC1C(N)C1C1(CN)CN1;RGACKIAENAMDLY-UHFFFAOYSA-N;141.22;-1.12;;;;;DOPC;MDCG;27;1;"MARTINI bead: SNd_SP2";;;;;;;-0.24;;-5.62;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM429877;MM429877;CC=C(C=O)C=CCC#N;SOLJZATVJWXGLR-UHFFFAOYSA-N;135.17;1.6;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_N0";;;;;;;1.17;;-1.18;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM429878;MM429878;C=NN1CC1C(=CC)CN;UGJYQKYNEBEORY-UHFFFAOYSA-N;139.2;0.19;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_SP2";;;;;;;-0.24;;-5.05;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM429879;MM429879;CC(C)=C1CCC(=NN)N1;CJUMXGSOLODMJC-UHFFFAOYSA-N;139.2;0.94;;;;;DOPC;MDCG;27;1;"MARTINI bead: SC5_SNd";;;;;;;1.64;;-1.12;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM429880;MM429880;CN=CNNC1(C#N)CC1;FSAPJWGSKLBDHN-UHFFFAOYSA-N;138.17;-0.21;;;;;DOPC;MDCG;27;1;"MARTINI bead: P3_SN0";;;;;;;-0.8;;-5.13;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM429881;MM429881;CC1C(N)C1C1(CO)CN1;UJAHQKJEXFTBGB-UHFFFAOYSA-N;142.2;-1.09;;;;;DOPC;MDCG;27;1;"MARTINI bead: SNd_SP2";;;;;;;-0.24;;-5.17;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM429882;MM429882;C=CCc1cc(CN)co1;KGFGERGZHKAONJ-UHFFFAOYSA-N;137.18;1.47;;;;;DOPC;MDCG;27;1;"MARTINI bead: SNd_SC5";;;;;;;1.64;;-1.16;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM429883;MM429883;CC=C(C#N)C=CCC#N;FATUTTOPKFZVEM-UHFFFAOYSA-N;132.17;1.93;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_P1";;;;;;;0.81;;-0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM429884;MM429884;N=C(C=O)NOC=O;HRZYGOMLBXYYJT-UHFFFAOYSA-N;116.08;-1.16;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_P2";;;;;;;-1.34;;-4.31;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM429885;MM429885;CC1C(O)C1C1(CN)CN1;JLXDMYFQHPMZIF-UHFFFAOYSA-N;142.2;-1.09;;;;;DOPC;MDCG;27;1;"MARTINI bead: SNda_SP2";;;;;;;-0.24;;-5;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM429886;MM429886;C=CC1(OCC=CC)CC1;DSVTUOARQBEBST-UHFFFAOYSA-N;138.21;2.3;;;;;DOPC;MDCG;27;0;"MARTINI bead: C2_SNa";;;;;;;2.83;;0.35;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM429887;MM429887;CCC1(O)CC1C(C)C;HLVYTDNZZFMZHY-UHFFFAOYSA-N;128.22;1.8;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNda_C3";;;;;;;2.57;;0.44;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM429888;MM429888;C=CCc1cc(CO)co1;KTOBOBCPOUWENO-UHFFFAOYSA-N;138.17;1.5;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNda_SC5";;;;;;;1.64;;0.05;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM429889;MM429889;C=CCC=CC(C#N)=CN;HEKZJGVEXMLXOB-UHFFFAOYSA-N;134.18;1.48;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_C3";;;;;;;1.74;;0.29;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM429890;MM429890;C=NN1CC1C(=CC)CF;OADPHWQAELZZRA-UHFFFAOYSA-N;142.18;1.2;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4_SP2";;;;;;;1.09;;-0.38;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM429891;MM429891;C=CC1(OCC=CF)CC1;ITLSLXQPANEQJG-UHFFFAOYSA-N;142.17;2.2;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4_SNa";;;;;;;2.2;;0.34;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM429892;MM429892;CC1C(F)C1C1(CN)CN1;XYJSATPQRLWDRJ-UHFFFAOYSA-N;144.19;-0.11;;;;;DOPC;MDCG;27;1;"MARTINI bead: SNa_SP2";;;;;;;-0.24;;-5.22;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM429893;MM429893;CCC1C=CC(=C(C)C)C1;AAVJEDBBFIMWLK-UHFFFAOYSA-N;136.24;3.31;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC2_SC2";;;;;;;4.78;;0.59;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM429894;MM429894;N#CCc1cc(CO)co1;UJBZDRAKMFKELP-UHFFFAOYSA-N;137.14;0.84;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNda_SN0";;;;;;;1.17;;-1.13;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM429895;MM429895;N#CCC=CC(C#N)=CN;PWINURMULVLRLC-UHFFFAOYSA-N;133.15;0.82;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_N0";;;;;;;0.34;;-1.53;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM429896;MM429896;C=NN1CC1C(CC)=NN;LHPBPVHKTJNZRK-UHFFFAOYSA-N;140.19;0.01;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nd_SP2";;;;;;;-0.24;;-3.16;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM429897;MM429897;CCC1(C2C(N)C2N)CN1;OQGMSUKNGWURFH-UHFFFAOYSA-N;141.22;-0.98;;;;;DOPC;MDCG;27;1;"MARTINI bead: SNd_SP3";;;;;;;-1.1;;-5.69;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM429898;MM429898;O=CC1(OCC=CF)CC1;CWCNAUODEKAKKH-UHFFFAOYSA-N;144.15;1.22;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4_SP2";;;;;;;1.09;;-0.38;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM429899;MM429899;C=CC1C=CC(=C(C)C)C1;OLVJMVKQYIGSEY-UHFFFAOYSA-N;134.22;3.08;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC2_SC4";;;;;;;4.16;;0.44;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM429900;MM429900;C=CCC=CC(C=O)=CF;UQUXPCIERSNTQE-UHFFFAOYSA-N;140.16;2.17;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_C2";;;;;;;2.83;;0.35;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM429901;MM429901;C=CCc1cc(CF)co1;LCYFPUHKORARDW-UHFFFAOYSA-N;140.16;2.48;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC5_SC5";;;;;;;2.41;;0.64;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM429902;MM429902;NCC1(C2C(N)C2N)CN1;BCZMZFZTQLRMIT-UHFFFAOYSA-N;142.21;-2.43;;;;;DOPC;MDCG;27;1;"MARTINI bead: SP2_SP3";;;;;;;-2.2;;-7.35;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM429903;MM429903;C=NN1CC1C(CC)=NO;GBPFHJSJKYJNJI-UHFFFAOYSA-N;141.17;0.53;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda_SP2";;;;;;;-0.24;;-3.31;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM429904;MM429904;N#CC1(OCC=CF)CC1;RXGCVRXGQILXJA-UHFFFAOYSA-N;141.15;1.54;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4_SP2";;;;;;;1.09;;-0.38;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM429905;MM429905;CC(C)=C1C=CC(=CF)C1;SVIZHBWDWFHTPV-UHFFFAOYSA-N;138.19;3.14;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC2_SC4";;;;;;;4.16;;0.44;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM429906;MM429906;N#CCc1cc(CF)co1;YXMGJYDOSOSCSN-UHFFFAOYSA-N;139.13;1.82;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC5_SN0";;;;;;;1.94;;0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM429907;MM429907;C=CCC=CC(C#N)=CF;FWDPOCPYFJTMFM-UHFFFAOYSA-N;137.16;2.5;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_C3";;;;;;;2.57;;0.45;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM429908;MM429908;NC1C(N)C1C1(CO)CN1;XKCPUAQMLBCOKP-UHFFFAOYSA-N;143.19;-2.39;;;;;DOPC;MDCG;27;1;"MARTINI bead: SP3_SP2";;;;;;;-2.2;;-6.64;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM429909;MM429909;CCC1(C)NC1C=O;OTUAZCFLFGBPFU-UHFFFAOYSA-N;113.16;0.33;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNd_P2";;;;;;;-0.24;;-3.16;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM429910;MM429910;C=CC1(OCC=NN)CC1;FDLABRIGGDAPPI-UHFFFAOYSA-N;140.19;0.67;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nd_SNa";;;;;;;0.87;;-1.88;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM429911;MM429911;C=CCc1cc(NC)co1;PPWTWPNDDQOCJQ-UHFFFAOYSA-N;137.18;2.05;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNd_SC5";;;;;;;1.64;;0.02;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM429912;MM429912;CC(C)=C1C=CC(=NN)C1;VLJQGBSEEYTGAB-UHFFFAOYSA-N;136.2;1.6;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC2_SNd";;;;;;;2.83;;0.62;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM429913;MM429913;O=CCC=CC(C=O)=CF;DUJFBWRRKIRLOX-UHFFFAOYSA-N;142.13;1.18;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_Na";;;;;;;0.87;;-2.22;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM429914;MM429914;NC1C(O)C1C1(CO)CN1;JWHRLYNRIPDCON-UHFFFAOYSA-N;144.17;-2.36;;;;;DOPC;MDCG;27;1;"MARTINI bead: SP2_SP2";;;;;;;-1.34;;-5.63;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM429915;MM429915;O=c1o[nH]nc1F;LQVAWQIHGWCRGG-UHFFFAOYSA-N;104.04;-0.5;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP1_SP2";;;;;;;-1.06;;-9.09;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM429916;MM429916;C=CC1(ONC=NO)CC1;HCPQFOJULAUADN-UHFFFAOYSA-N;142.16;0.64;;;;;DOPC;MDCG;27;0;"MARTINI bead: P3_SNa";;;;;;;-1.1;;-4.2;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM429917;MM429917;CC(C)=C1C=CC(NN)=N1;AGHNJVUCMPWKGF-UHFFFAOYSA-N;137.19;0.71;;;;;DOPC;MDCG;27;1;"MARTINI bead: SC5_SP1";;;;;;;0.81;;-1.88;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM429918;MM429918;N#CCC=CC(C=O)=CF;FQDRYKMTTGDSJV-UHFFFAOYSA-N;139.13;1.51;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_N0";;;;;;;1.17;;-1.18;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM429919;MM429919;CNc1coc(CC#N)c1;FMFUPZDIXWCALJ-UHFFFAOYSA-N;136.15;1.39;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNd_SN0";;;;;;;1.17;;-1.04;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM429920;MM429920;C=NN1CC1C(=NC)NC;PEHUJWPZGCTUCU-UHFFFAOYSA-N;140.19;-0.47;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1_SP2";;;;;;;-1.06;;-6.27;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM429921;MM429921;NCC1(C2C(N)C2F)CN1;GKEXPLLCDNUTLT-UHFFFAOYSA-N;145.18;-1.42;;;;;DOPC;MDCG;27;1;"MARTINI bead: SP2_SP1";;;;;;;-1.06;;-5.83;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM429922;MM429922;CC=CCCC1(C=O)CN1;CZURQBVEJGHJNS-UHFFFAOYSA-N;139.2;0.88;;;;;DOPC;MDCG;27;0;"MARTINI bead: C2_SP2";;;;;;;1.72;;0.28;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM429923;MM429923;CCC1=CCC(=C(C)C)C1;PWVOWPDLQDGRHJ-UHFFFAOYSA-N;136.24;3.45;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC2_SC2";;;;;;;4.78;;0.59;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM429924;MM429924;C=CC(C=CNC=N)=CC;AMYHQWANLBYSOV-UHFFFAOYSA-N;136.2;1.83;;;;;DOPC;MDCG;27;1;"MARTINI bead: C1_P3";;;;;;;0.94;;-3.41;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM429925;MM429925;C=CCc1cc(OC)co1;PFUPQGCCFLXAHV-UHFFFAOYSA-N;138.17;2.02;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNa_SC5";;;;;;;1.64;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM429926;MM429926;CCC1(C2C(C)C2C)CO1;SLXFXLKFVVIAEX-UHFFFAOYSA-N;140.23;2.07;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNa_SC5";;;;;;;1.64;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM429927;MM429927;N=C1NNC(=N)C1=O;BTJKZMCLLZINNB-UHFFFAOYSA-N;112.09;-1.38;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP3_SP3";;;;;;;-3.07;;-6.15;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM429928;MM429928;CC=CCCC1(C#N)CN1;IVZQJLRJWSSPKU-UHFFFAOYSA-N;136.2;1.21;;;;;DOPC;MDCG;27;0;"MARTINI bead: C2_SP1";;;;;;;2;;0.29;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM429929;MM429929;CC(C)=C1CC=C(CN)C1;JJTBXMBWPKURCR-UHFFFAOYSA-N;137.23;2;;;;;DOPC;MDCG;27;1;"MARTINI bead: SC2_SNd";;;;;;;2.83;;-0.23;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM429930;MM429930;COc1coc(CC#N)c1;UHBKWJVNLKJPLI-UHFFFAOYSA-N;137.14;1.35;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNa_SN0";;;;;;;1.17;;-1.18;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM429931;MM429931;C=CC(C=CNC=O)=CC;RTKNRNGPCDSMHN-UHFFFAOYSA-N;137.18;1.38;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1_P3";;;;;;;0.94;;0.03;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM429932;MM429932;C=NN1CC1C(=CC)OC;DIJBLTYBUAJXSO-UHFFFAOYSA-N;140.19;0.84;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_SP2";;;;;;;0.54;;-1.09;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM429933;MM429933;CC1C(C)C1C1(CN)CO1;ZFJQTRXMASXORH-UHFFFAOYSA-N;141.21;0.62;;;;;DOPC;MDCG;27;1;"MARTINI bead: SC5_SP2";;;;;;;0.54;;-3.12;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM429934;MM429934;N#CC1(CCC=CF)CN1;FYSZNDYUBZKPBW-UHFFFAOYSA-N;140.16;1.12;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4_SP1";;;;;;;1.37;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM429935;MM429935;CONC(=N)OC=NN;SOGATKLHEMJVDF-UHFFFAOYSA-N;132.12;-1.01;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_P1";;;;;;;-1.06;;-3.82;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM429936;MM429936;C=CC(C=CNC=O)=CF;BFCJPOBGWABUHQ-UHFFFAOYSA-N;141.15;1.29;;;;;DOPC;MDCG;27;0;"MARTINI bead: C2_P3";;;;;;;0.86;;-0.3;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM429937;MM429937;CCc1coc(NC=N)c1;IWEZCDHMBANHDV-UHFFFAOYSA-N;138.17;1.86;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC4_SNd";;;;;;;2.2;;0.32;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM429938;MM429938;CCC1(C2C(C)C2N)CO1;MUDXJCVAJCYLFI-UHFFFAOYSA-N;141.21;0.76;;;;;DOPC;MDCG;27;1;"MARTINI bead: SNa_SNd";;;;;;;0.87;;-4.47;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM429939;MM429939;C=CC1CN1C(CC)=NC;WEQHJRJQZNAUSZ-UHFFFAOYSA-N;138.21;1.29;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_SP1";;;;;;;0.04;;-5.37;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM429940;MM429940;CC(C)=C1CC=C(CF)C1;XZQIPIGOJJISIA-UHFFFAOYSA-N;140.2;3.01;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC2_SC5";;;;;;;3.6;;0.34;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM429941;MM429941;N#CC1(CCC=NO)CN1;WNMKWJQTKFGUSN-UHFFFAOYSA-N;139.16;0.09;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_SP1";;;;;;;-0.79;;-3.13;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM429942;MM429942;N=CNc1cc(CN)co1;HJBLPRXYVISFID-UHFFFAOYSA-N;139.16;0.76;;;;;DOPC;MDCG;27;1;"MARTINI bead: SNd_SNd";;;;;;;0.87;;-3.16;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM429943;MM429943;CC=C(C=O)C=CN=CN;OAVWNBJIMIJPSE-UHFFFAOYSA-N;138.17;0.63;;;;;DOPC;MDCG;27;1;"MARTINI bead: Na_Nd";;;;;;;0.87;;-5.08;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM429944;MM429944;CC1C(N)C1C1(CO)CO1;MFPSQUWXHYRAFO-UHFFFAOYSA-N;143.19;-0.66;;;;;DOPC;MDCG;27;1;"MARTINI bead: SNd_SP2";;;;;;;-0.24;;-5.43;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM429945;MM429945;C#CC(F)CON=CC;SSAXZTXDVSYBDY-UHFFFAOYSA-N;129.13;0.98;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_C5";;;;;;;0.81;;-0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM429946;MM429946;COC1=CCC(=C(C)C)C1;DWFYCGMOYNFMOA-UHFFFAOYSA-N;138.21;2.65;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC5_SC2";;;;;;;3.6;;0.34;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM429947;MM429947;C=CC1(CNC=NC)CN1;SCATWEOLGZZCJV-UHFFFAOYSA-N;139.2;-0.24;;;;;DOPC;MDCG;27;1;"MARTINI bead: P2_SP1";;;;;;;-1.06;;-7.09;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM429948;MM429948;C=CC(=O)OC(C)=NN;AXBWZEJPEAYUCP-UHFFFAOYSA-N;128.13;0.01;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_Nd";;;;;;;0.87;;-1.88;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM429949;MM429949;N=CNC=CC(C=O)=CN;PPIRWRQFNJZMFY-UHFFFAOYSA-N;139.16;-0.26;;;;;DOPC;MDCG;27;1;"MARTINI bead: P2_P2";;;;;;;-1.34;;-7.94;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM429950;MM429950;CCC1(C2C(C)C2O)CO1;MZVPBJGNSDWQHR-UHFFFAOYSA-N;142.2;0.79;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNa_SNda";;;;;;;0.87;;-1.99;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM429951;MM429951;C=CC1CN1C(CN)=NC;UQTAGHGQHBCWIV-UHFFFAOYSA-N;139.2;-0.16;;;;;DOPC;MDCG;27;1;"MARTINI bead: P3_SP1";;;;;;;-1.93;;-6.21;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM429952;MM429952;C=CC1(CNN=CC)CN1;XGGCWUCXVHGFEB-UHFFFAOYSA-N;139.2;0.11;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nd_SP1";;;;;;;0.04;;-2.63;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM429953;MM429953;CCC1=CCC(=C(C)C)O1;GVPGAWJKQXSAID-UHFFFAOYSA-N;138.21;2.99;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC5_SC4";;;;;;;2.97;;0.45;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM429954;MM429954;N=CNc1cc(CF)co1;AKAAJVKMGUSBST-UHFFFAOYSA-N;142.13;1.77;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC5_SNd";;;;;;;1.64;;0.02;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM429955;MM429955;N#CC(C=CNC=N)=CN;XNAACGXQTIRNCX-UHFFFAOYSA-N;136.16;0.06;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1_P2";;;;;;;-1.06;;-7.35;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM429956;MM429956;CCC(=NC)N1CC1C=O;PEDAUADKUCJKES-UHFFFAOYSA-N;140.19;0.31;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_SP2";;;;;;;-0.24;;-4.91;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM429957;MM429957;CC1C(O)C1C1(CN)CO1;JQUOAAKSNUKPAZ-UHFFFAOYSA-N;143.19;-0.66;;;;;DOPC;MDCG;27;1;"MARTINI bead: SNda_SP2";;;;;;;-0.24;;-5.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM429958;MM429958;C=CC1=CCC(=C(C)C)C1;LYCKEPUHAUSDRN-UHFFFAOYSA-N;134.22;3.23;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC2_SC3";;;;;;;4.53;;0.32;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM429959;MM429959;CC=NNCC1(C=O)CN1;RSSBLOFTMMXVIR-UHFFFAOYSA-N;141.17;-0.88;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nd_SP2";;;;;;;-0.24;;-3.16;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM429960;MM429960;N=CNC=CC(C=O)=CF;KLEMBRLMWQAJKU-UHFFFAOYSA-N;142.13;0.75;;;;;DOPC;MDCG;27;1;"MARTINI bead: Na_P2";;;;;;;-0.24;;-6.81;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM429961;MM429961;CNc1coc(NC=N)c1;YUCVFDKCJRZQBD-UHFFFAOYSA-N;139.16;1.34;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNd_SNd";;;;;;;0.87;;-2.11;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM429962;MM429962;CCC(=NO)N1CC1C#N;KQWZYQVJWZDMOW-UHFFFAOYSA-N;139.16;0.39;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_SP2";;;;;;;-1.06;;-3.82;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM429963;MM429963;CC1C(O)C1C1(CO)CO1;ATYOKAFXIOBRIO-UHFFFAOYSA-N;144.17;-0.63;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNda_SP2";;;;;;;-0.24;;-3.31;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM429964;MM429964;CC(C)=C1CC=C(C=O)C1;PIFZFNHZKSCOED-UHFFFAOYSA-N;136.19;2.24;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC2_SNa";;;;;;;2.83;;0.35;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM429965;MM429965;CCC(C)OC(=NN)OC;ZLWOPVJZFFODOZ-UHFFFAOYSA-N;146.19;0.68;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1_P2";;;;;;;1.8;;0.4;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM429966;MM429966;N#CC(C=CNC=N)=CF;WHNUSPWCGMAZCK-UHFFFAOYSA-N;139.13;1.07;;;;;DOPC;MDCG;27;1;"MARTINI bead: C4_P3";;;;;;;0.23;;-4.46;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM429967;MM429967;COc1coc(NC=N)c1;ACCIOZLPGJBOJL-UHFFFAOYSA-N;140.14;1.31;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNa_SNd";;;;;;;0.87;;-1.88;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM429968;MM429968;N#CC1CN1C(CO)=NO;LAKDNSYDBPZWRN-UHFFFAOYSA-N;141.13;-1.03;;;;;DOPC;MDCG;27;0;"MARTINI bead: P3_SP2";;;;;;;-2.2;;-5.19;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM429969;MM429969;CC(C)=C1CC=C(C#N)C1;QCLSABNVGXZPEY-UHFFFAOYSA-N;133.19;2.57;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC2_SN0";;;;;;;3.13;;0.3;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM429970;MM429970;CCC1(C2C(N)C2N)CO1;YQSKXKWFRBDPBS-UHFFFAOYSA-N;142.2;-0.55;;;;;DOPC;MDCG;27;1;"MARTINI bead: SNa_SP3";;;;;;;-1.1;;-6.2;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM429971;MM429971;C=CC1(COC=CC)CN1;JZNLBKRSDSDAAX-UHFFFAOYSA-N;139.2;1.06;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_SP1";;;;;;;0.81;;-0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM429972;MM429972;C=COC=CC(C=C)=CC;IGKVMMYQINGAIA-UHFFFAOYSA-N;136.19;2.79;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1_Na";;;;;;;2.91;;0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM429973;MM429973;C=COc1cc(CC)co1;QGMHMNWGAKQNAI-UHFFFAOYSA-N;138.17;2.36;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC4_SC5";;;;;;;2.97;;0.45;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM429974;MM429974;CN=C(CF)N1CC1C#N;GVJXDFUBIZONKB-UHFFFAOYSA-N;141.15;0.19;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_SP2";;;;;;;-1.06;;-3.82;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM429975;MM429975;CC(C)=C1CC=C(C=O)O1;JVHQMIKAMYXJSQ-UHFFFAOYSA-N;138.17;1.78;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC4_SNa";;;;;;;2.2;;0.34;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM429976;MM429976;NC1C(N)C1C1(CO)CO1;QWJRLZGHNHWRRG-UHFFFAOYSA-N;144.17;-1.97;;;;;DOPC;MDCG;27;1;"MARTINI bead: SP3_SP2";;;;;;;-2.2;;-6.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM429977;MM429977;O=CC1(COC=CF)CN1;NOHYMTOTCONIFX-UHFFFAOYSA-N;145.13;-0.02;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_SP2";;;;;;;-0.24;;-3.24;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM429978;MM429978;C=COc1cc(CO)co1;LZSWRWNVENWUGR-UHFFFAOYSA-N;140.14;1.29;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNda_SC5";;;;;;;1.64;;0.05;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM429979;MM429979;CN=C(NC)N1CC1C#N;NSNUFGQXOQVUKS-UHFFFAOYSA-N;138.17;-0.6;;;;;DOPC;MDCG;27;1;"MARTINI bead: P2_SP2";;;;;;;-1.34;;-5.45;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM429980;MM429980;C=CC(C=COC=O)=CC;VSJCFVSKWRPEBL-UHFFFAOYSA-N;138.17;1.81;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1_Na";;;;;;;2.91;;0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM429981;MM429981;CC(C)=C1CC=C(C#N)O1;MPZDAPXZDVIWPB-UHFFFAOYSA-N;135.17;2.11;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC4_SNa";;;;;;;2.2;;0.34;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM429982;MM429982;NC1C(O)C1C1(CO)CO1;MCSSYHOOHKVRSE-UHFFFAOYSA-N;145.16;-1.93;;;;;DOPC;MDCG;27;1;"MARTINI bead: SP2_SP2";;;;;;;-1.34;;-5.89;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM429983;MM429983;C#CC(C)OC(=NN)OC;ZLPDBIIUDMEIBG-UHFFFAOYSA-N;142.16;-0.1;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_C5";;;;;;;0.54;;-1.09;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM429984;MM429984;C=CC(C=COC=O)=CF;DDHUFMSCYNVIDA-UHFFFAOYSA-N;142.13;1.71;;;;;DOPC;MDCG;27;0;"MARTINI bead: C2_P1";;;;;;;2;;0.29;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM429985;MM429985;C=COc1cc(CF)co1;PVOQJPRLBKCCBJ-UHFFFAOYSA-N;142.13;2.27;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC5_SC5";;;;;;;2.41;;0.64;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM429986;MM429986;C=CC(=CC)C1CC1C=C;ISAAKPKAOREXMV-UHFFFAOYSA-N;134.22;2.94;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1_SC4";;;;;;;4.24;;0.42;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM429987;MM429987;OCC1(C2C(O)C2O)CO1;PXZNIVSNDRYRMZ-UHFFFAOYSA-N;146.14;-1.9;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP2_SP2";;;;;;;-1.34;;-4.31;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM429988;MM429988;C#CC1=CCC(=C(C)C)C1;XLSGJUYZSUOJJU-UHFFFAOYSA-N;132.21;2.68;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC2_SC5";;;;;;;3.6;;0.34;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM429989;MM429989;CC=NOCC1(C=O)CN1;GPDUHBZKMIYRNV-UHFFFAOYSA-N;142.16;-0.45;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_SP2";;;;;;;-0.24;;-3.24;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM429990;MM429990;C=COc1cc(NC)co1;OFMFPKCRDZCBBX-UHFFFAOYSA-N;139.15;1.84;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNd_SC5";;;;;;;1.64;;0.02;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM429991;MM429991;C=COC=CC(C#N)=CC;NRDYRIXWEPRXMI-UHFFFAOYSA-N;135.17;2.13;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_Na";;;;;;;1.64;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM429992;MM429992;C=CC(=CF)C1CC1C=C;GYGTXNNEBLIKSO-UHFFFAOYSA-N;138.19;2.85;;;;;DOPC;MDCG;27;0;"MARTINI bead: C2_SC4";;;;;;;4.16;;0.44;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM429993;MM429993;C=CC1(CCC=CC)CO1;RVKIWEMEFRBCNE-UHFFFAOYSA-N;138.21;2.3;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1_SNa";;;;;;;2.91;;0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM429994;MM429994;CCCON=CC=NN;WPSMLQKAXATRPL-UHFFFAOYSA-N;129.16;0.34;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_Nd";;;;;;;0.87;;-1.88;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM429995;MM429995;C#CC1=CCC(=C(C)C)O1;NQZSOWCOXXHWOU-UHFFFAOYSA-N;134.18;2.22;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC4_SNa";;;;;;;2.2;;0.34;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM429996;MM429996;C=CCc1cc(CC)no1;KNCYRDKFIWOZOZ-UHFFFAOYSA-N;137.18;1.97;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC5_SC5";;;;;;;2.41;;0.64;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM429997;MM429997;CC=C(C=O)C=COC=O;VITILQHVAVCOSE-UHFFFAOYSA-N;140.14;0.82;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_Na";;;;;;;0.87;;-2.22;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM429998;MM429998;C=CC1CC1C(C=O)=CC;FSUUPIWUWASRLV-UHFFFAOYSA-N;136.19;1.95;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_SC4";;;;;;;2.2;;0.34;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM429999;MM429999;CCc1cc(CC#N)on1;HXMJXSKSYWWOFP-UHFFFAOYSA-N;136.15;1.3;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC5_SN0";;;;;;;1.94;;0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM430000;MM430000;CCC1=CC(=C(C)C)CC1;ILTBQWSWDLGZEV-UHFFFAOYSA-N;136.24;3.45;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC2_SC2";;;;;;;4.78;;0.59;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM430001;MM430001;CC1C(C2(CN)CN2)N1C;MLPFMLZLPFGNHH-UHFFFAOYSA-N;141.22;-1.01;;;;;DOPC;MDCG;27;1;"MARTINI bead: SNd_SP2";;;;;;;-0.24;;-4.8;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM430002;MM430002;CC=CCCC1(C=O)CO1;BZUZPHQNNCMZCX-UHFFFAOYSA-N;140.18;1.31;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1_SP2";;;;;;;1.8;;0.4;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM430003;MM430003;CC=C(C#N)C=COC=O;JKRSHHMEFVYZTB-UHFFFAOYSA-N;137.14;1.14;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_P1";;;;;;;0.81;;-0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM430004;MM430004;C=CC1CC1C(C#N)=CC;JGKULISPZXYULP-UHFFFAOYSA-N;133.19;2.28;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_SC4";;;;;;;2.97;;0.45;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM430005;MM430005;CC(C)=C1C=C(CN)CC1;NJWGREYBNPCDJU-UHFFFAOYSA-N;137.23;2;;;;;DOPC;MDCG;27;1;"MARTINI bead: SC2_SNd";;;;;;;2.83;;-0.23;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM430006;MM430006;C=CCc1cc(CO)no1;DDNXXAKEFXGKMT-UHFFFAOYSA-N;139.15;0.9;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNda_SC5";;;;;;;1.64;;0.05;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM430007;MM430007;CC1C(C2(CN)CO2)N1C;RFWAEIAFELYREE-UHFFFAOYSA-N;142.2;-0.58;;;;;DOPC;MDCG;27;1;"MARTINI bead: SNd_SP2";;;;;;;-0.24;;-4.86;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM430008;MM430008;CC=CCCC1(C#N)CO1;JTZRSLZHCPTMRX-UHFFFAOYSA-N;137.18;1.64;;;;;DOPC;MDCG;27;0;"MARTINI bead: C2_SNa";;;;;;;2.83;;0.35;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM430009;MM430009;C=COC=CC(C=O)=CN;HUYJQAFUIOTNTJ-UHFFFAOYSA-N;139.15;0.7;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_C5";;;;;;;0.54;;-1.09;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM430010;MM430010;C=CC1CC1C(C=O)=CN;PDXRMPIWBWBQSG-UHFFFAOYSA-N;137.18;0.85;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_SC4";;;;;;;1.37;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM430011;MM430011;C=CCc1cc(CF)no1;IMTHYJOKLXDIMG-UHFFFAOYSA-N;141.15;1.87;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNa_SC5";;;;;;;1.64;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM430012;MM430012;CC(C#CCCF)=NN;PXXIJMBNZVXNDA-UHFFFAOYSA-N;128.15;0.68;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nd_Na";;;;;;;0.87;;-1.88;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM430013;MM430013;C=COC=CC(C#N)=CN;OAEUKXKEWKNTAN-UHFFFAOYSA-N;136.15;1.03;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_P1";;;;;;;0.81;;-0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM430014;MM430014;O=CC1(CCC=CF)CO1;AEBIOYTVCQEHGW-UHFFFAOYSA-N;144.15;1.22;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4_SP1";;;;;;;1.37;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM430015;MM430015;CC1C(C)N1C1(CN)CC1;UQHIHIAEIDDUPI-UHFFFAOYSA-N;140.23;0.57;;;;;DOPC;MDCG;27;1;"MARTINI bead: SP1_SP2";;;;;;;-1.06;;-5.84;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM430016;MM430016;C=CC1CC1C(C#N)=CN;REBGMMSBLZSOLB-UHFFFAOYSA-N;134.18;1.17;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_SC4";;;;;;;1.37;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM430017;MM430017;N#CCc1cc(CF)no1;ZZIGRHSPGAUDDD-UHFFFAOYSA-N;140.12;1.21;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNa_SN0";;;;;;;1.17;;-1.18;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM430018;MM430018;CC(C)=C1C=C(CF)CC1;FIFJILDVEVWQCJ-UHFFFAOYSA-N;140.2;3.01;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC2_SC5";;;;;;;3.6;;0.34;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM430019;MM430019;C=CC1(C2C(C)C2C)CC1;WWODXYNDHMXKMZ-UHFFFAOYSA-N;136.24;2.85;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC5_SC4";;;;;;;2.97;;0.45;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM430020;MM430020;C=COC=CC(C=O)=CF;LLDNLLSLUOLESO-UHFFFAOYSA-N;142.13;1.71;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_C5";;;;;;;1.64;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM430021;MM430021;N#CC1(CCC=CF)CO1;NMJGWNCISHZBSZ-UHFFFAOYSA-N;141.15;1.54;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4_SNa";;;;;;;2.2;;0.34;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM430022;MM430022;C=CC1CC1C(C#N)=CF;DWCHUNJCXQZBDQ-UHFFFAOYSA-N;137.16;2.19;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_SC4";;;;;;;2.2;;0.34;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM430023;MM430023;C=CCc1cc(OC)no1;LIUWXCXFWFHHME-UHFFFAOYSA-N;139.15;1.41;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNa_SC5";;;;;;;1.64;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM430024;MM430024;COC1=CC(=C(C)C)CC1;IWAJJFVSNACTOZ-UHFFFAOYSA-N;138.21;2.65;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC5_SC2";;;;;;;3.6;;0.34;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM430025;MM430025;CC1C(C)C1C1(C=O)CC1;VCPUXTOXKZVIIS-UHFFFAOYSA-N;138.21;1.87;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC5_SNa";;;;;;;1.64;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM430026;MM430026;O=COC=CC(C=O)=CF;MAXFAJVWBQUNDE-UHFFFAOYSA-N;144.1;0.73;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_Na";;;;;;;0.87;;-2.22;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM430027;MM430027;C=CC1(CCC=NO)CO1;FUASPOAMCIIVIL-UHFFFAOYSA-N;141.17;1.18;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_SNa";;;;;;;0.04;;-2.54;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM430028;MM430028;C=CC(=CC)C1CC1C=O;OJTZYVJJQLUUHQ-UHFFFAOYSA-N;136.19;1.95;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1_SNa";;;;;;;2.91;;0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM430029;MM430029;CC1C(C)C1C1(C#N)CC1;HHNTVSPKYMSPLQ-UHFFFAOYSA-N;135.21;2.19;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC5_SN0";;;;;;;1.94;;0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM430030;MM430030;COc1cc(CC#N)on1;JIQWFBUWNFFDJJ-UHFFFAOYSA-N;138.13;0.75;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNa_SN0";;;;;;;1.17;;-1.18;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM430031;MM430031;C=CC1=CC(=C(C)C)CC1;WDRSXTBUDLIGHY-UHFFFAOYSA-N;134.22;3.23;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC2_SC3";;;;;;;4.53;;0.32;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM430032;MM430032;N#CC(C=COC=O)=CF;MGEKPXRZUPVTST-UHFFFAOYSA-N;141.1;1.05;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_Na";;;;;;;0.87;;-2.22;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM430033;MM430033;N#CC1(CCC=NO)CO1;YWFROIXJJMFLAH-UHFFFAOYSA-N;140.14;0.52;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_SNa";;;;;;;0.04;;-2.54;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM430034;MM430034;CC1C(O)C1C1(C=O)CC1;HHMVWLPQWZTIME-UHFFFAOYSA-N;140.18;0.59;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNda_SNa";;;;;;;0.87;;-1.99;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM430035;MM430035;C=CC(=CC)C1CC1C#N;XKPZXLXEIKQERR-UHFFFAOYSA-N;133.19;2.28;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1_SN0";;;;;;;3.21;;0.46;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM430036;MM430036;N=CNc1cc(CO)no1;RZHXCSRASSCOPS-UHFFFAOYSA-N;141.13;0.19;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNda_SP1";;;;;;;0.04;;-2.73;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM430037;MM430037;CC(C)=C1C=C(C=O)CC1;JQUXHOMEZOTHFT-UHFFFAOYSA-N;136.19;2.24;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC2_SNa";;;;;;;2.83;;0.35;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM430038;MM430038;CN=CNCC1(C#N)CO1;QSEZDMUKRBUXSK-UHFFFAOYSA-N;139.16;-0.47;;;;;DOPC;MDCG;27;1;"MARTINI bead: P2_SNa";;;;;;;-0.24;;-6.01;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM430039;MM430039;C=CCC=CC(C=C)=NN;RIIKCZQXGYTIPM-UHFFFAOYSA-N;136.2;1.62;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nd_C2";;;;;;;2.83;;0.62;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM430040;MM430040;CC(C)=C1C=C(C#N)CC1;ATBTZIWDKRSRDB-UHFFFAOYSA-N;133.19;2.57;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC2_SN0";;;;;;;3.13;;0.3;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM430041;MM430041;CC1C(O)C1C1(C#N)CC1;IYYRFWQFCMXSSP-UHFFFAOYSA-N;137.18;0.92;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNda_SN0";;;;;;;1.17;;-1.13;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM430042;MM430042;CC=C(C#N)C1CC1C=O;GDELYRIMIKOBFP-UHFFFAOYSA-N;135.17;1.29;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_SNa";;;;;;;1.64;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM430043;MM430043;C#CC(=C)OC(C)=NN;QCHBYDHTPQEWCW-UHFFFAOYSA-N;124.14;0.44;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_Nd";;;;;;;0.87;;-1.88;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM430044;MM430044;C#CC1=CC(=C(C)C)CC1;MZSMVQBJWDQKTJ-UHFFFAOYSA-N;132.21;2.68;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC2_SC5";;;;;;;3.6;;0.34;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM430045;MM430045;COC(=NN)OCC(F)F;ISLPEZADCDWVNE-UHFFFAOYSA-N;154.12;0.14;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_N0";;;;;;;0.34;;-1.53;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM430046;MM430046;C=CC(=NN)OC(C)=NN;VPCOQQKSPQNCEC-UHFFFAOYSA-N;142.16;-0.25;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda_Nd";;;;;;;0.87;;-1.92;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM430047;MM430047;CC1C(F)C1C1(C#N)CC1;AKCRKHYSWDPLEA-UHFFFAOYSA-N;139.17;1.89;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNa_SN0";;;;;;;1.17;;-1.18;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM430048;MM430048;C=COc1cc(CC)no1;SILCKMRWZBRDJS-UHFFFAOYSA-N;139.15;1.76;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC5_SNa";;;;;;;1.64;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM430049;MM430049;CC=C(C=O)C1CC1C#N;DSIKOOAIMHHUSB-UHFFFAOYSA-N;135.17;1.29;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_SN0";;;;;;;1.17;;-1.18;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM430050;MM430050;C=CC1(C2C(N)C2N)CC1;ALUJIIFFTAIQLS-UHFFFAOYSA-N;138.21;0.24;;;;;DOPC;MDCG;27;1;"MARTINI bead: SP3_SC4";;;;;;;0.23;;-3.09;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM430051;MM430051;CC=NNCC1(C=O)CO1;CUIDSEJHNPICDX-UHFFFAOYSA-N;142.16;-0.45;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nd_SP1";;;;;;;0.04;;-2.63;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM430052;MM430052;CCC1=CC(=C(C)C)C=C1;IVMKIAYWIOJYTM-UHFFFAOYSA-N;134.22;3.23;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC3_SC3";;;;;;;4.27;;0.2;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM430053;MM430053;C=CC(C=CCC#N)=NO;XYNQGYNCPAJRKA-UHFFFAOYSA-N;136.15;1.47;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda_N0";;;;;;;1.17;;-1.13;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM430054;MM430054;C=COc1cc(CO)no1;YTDRPDNZBVKHOW-UHFFFAOYSA-N;141.13;0.69;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNda_SNa";;;;;;;0.87;;-1.99;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM430055;MM430055;CC=C(C#N)C1CC1C#N;BNQWLKIANDNBFP-UHFFFAOYSA-N;132.17;1.62;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_SN0";;;;;;;1.94;;0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM430056;MM430056;C=CC1(C2C(N)C2O)CC1;WEIIHJGOTGLKJE-UHFFFAOYSA-N;139.2;0.27;;;;;DOPC;MDCG;27;1;"MARTINI bead: SP2_SC4";;;;;;;1.09;;-2.28;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM430057;MM430057;C=CC1(COC=CF)CO1;ODVDQUWHIZONFG-UHFFFAOYSA-N;144.15;1.4;;;;;DOPC;MDCG;27;0;"MARTINI bead: N0_SNa";;;;;;;1.17;;-1.18;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM430058;MM430058;CC(C)=C1C=CC(CN)=C1;LYQRCIIAGQFWQB-UHFFFAOYSA-N;135.21;1.78;;;;;DOPC;MDCG;27;1;"MARTINI bead: SC3_SNd";;;;;;;2.57;;-0.92;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM430059;MM430059;C=CN=C1CNC(CN)=N1;OUNLREHQXQNESL-UHFFFAOYSA-N;138.17;-0.51;;;;;DOPC;MDCG;27;1;"MARTINI bead: SP2_SP1";;;;;;;-1.06;;-4.84;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM430060;MM430060;C=CC(C=CNC=N)=NN;JJWBZTHRJDVOIU-UHFFFAOYSA-N;138.17;0.2;;;;;DOPC;MDCG;27;1;"MARTINI bead: C5_P3";;;;;;;-0.33;;-5.38;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM430061;MM430061;C=CC(=O)N(C)N=CN;BODHMUJRXWZCQJ-UHFFFAOYSA-N;127.15;-0.47;;;;;DOPC;MDCG;27;0;"MARTINI bead: P3_N0";;;;;;;-0.8;;-2.99;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM430062;MM430062;C=CC1(C2C(O)C2O)CC1;RTWNPUPXAOTXHU-UHFFFAOYSA-N;140.18;0.3;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP2_SC4";;;;;;;1.09;;-0.38;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM430063;MM430063;O=CC1(COC=CF)CO1;CZMHLZMGNMJCQT-UHFFFAOYSA-N;146.12;0.41;;;;;DOPC;MDCG;27;0;"MARTINI bead: N0_SP2";;;;;;;0.06;;-2.21;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM430064;MM430064;C#CC(=O)CC1(C#C)CN1;IBFFGYHIBDLRFF-UHFFFAOYSA-N;133.15;-0.45;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_SP3";;;;;;;-1.1;;-4.2;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM430065;MM430065;CC=C(C)OC(C)=NN;BCPYEGZTPBKHGM-UHFFFAOYSA-N;128.18;1.22;;;;;DOPC;MDCG;27;0;"MARTINI bead: C2_P2";;;;;;;1.72;;0.27;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM430066;MM430066;CC(C)=C1C=CC(CO)=C1;QVYQSZNWDQVEMM-UHFFFAOYSA-N;136.19;1.81;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC3_SNda";;;;;;;2.57;;0.44;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM430067;MM430067;N#CC(=CN)C1CC1C#N;AEWPIUVQKKCFQY-UHFFFAOYSA-N;133.15;0.51;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_SN0";;;;;;;0.34;;-1.53;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM430068;MM430068;C=CC1(C2C(O)C2F)CC1;ACCHJTFIPPWSIW-UHFFFAOYSA-N;142.17;1.28;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP1_SC4";;;;;;;1.37;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM430069;MM430069;O=CNC=CC(C=O)=NO;NZHUMUAWOYFVEB-UHFFFAOYSA-N;142.11;-0.72;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_P2";;;;;;;-1.06;;-3.82;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM430070;MM430070;CC(C)=C1C=CC(CF)=C1;ANFZJUDCHKFZBK-UHFFFAOYSA-N;138.19;2.79;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC3_SC5";;;;;;;3.34;;0.48;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM430071;MM430071;N#CC1(COC=CF)CO1;QAWQKTAOGDBXGA-UHFFFAOYSA-N;143.12;0.74;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_SNa";;;;;;;0.87;;-2.22;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM430072;MM430072;CC(=CF)OC(C)=NN;QLIMYGSCUWBBCQ-UHFFFAOYSA-N;132.14;1.13;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4_P2";;;;;;;1.09;;-0.38;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM430073;MM430073;N#CC(=CF)C1CC1C#N;KHUFWVPIAUECSG-UHFFFAOYSA-N;136.13;1.52;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_SN0";;;;;;;1.17;;-1.18;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM430074;MM430074;CC1C(C)C1C1(C=O)CN1;OXPJCZAHOZSJGN-UHFFFAOYSA-N;139.2;0.43;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC5_SP2";;;;;;;0.54;;-1.09;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM430075;MM430075;C=CC1(CON=CC)CO1;KSUAIDFDKXPYTA-UHFFFAOYSA-N;141.17;0.96;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_SNa";;;;;;;0.87;;-2.22;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM430076;MM430076;C=CC1=CC(=C(C)C)C=C1;YGROTXNUEKCBLU-UHFFFAOYSA-N;132.21;3.01;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC3_SC4";;;;;;;3.9;;0.47;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM430077;MM430077;C=COC=CC(C=C)=NN;IYYWYMODQRMQNK-UHFFFAOYSA-N;138.17;1.16;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nd_C5";;;;;;;1.64;;0.02;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM430078;MM430078;C=CN=C1CN=C(NC)N1;RLPVJZOCKNUWDK-UHFFFAOYSA-N;138.17;-0.29;;;;;DOPC;MDCG;27;1;"MARTINI bead: SP1_SNd";;;;;;;0.04;;-4.78;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM430079;MM430079;CC1C(C)C1C1(C#N)CN1;UMLPRJCGYDKSJH-UHFFFAOYSA-N;136.2;0.75;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC5_SP2";;;;;;;0.54;;-1.09;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM430080;MM430080;C=CC(=NN)C1CC1C=C;PMUMTNAGVUJXCV-UHFFFAOYSA-N;136.2;1.31;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_SC4";;;;;;;2.97;;0.45;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM430081;MM430081;CC(C)=C1C=CC(C=O)=C1;QQQLFEUPINEYCS-UHFFFAOYSA-N;134.18;2.02;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC3_SNa";;;;;;;2.57;;0.45;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM430082;MM430082;C=CC(C=COC=O)=NN;XZRMZHJNSWTARD-UHFFFAOYSA-N;140.14;0.17;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nd_Na";;;;;;;0.87;;-1.88;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM430083;MM430083;CC=NOCC1(C=O)CO1;MPDGGFFJDZQWJX-UHFFFAOYSA-N;143.14;-0.02;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_SP2";;;;;;;-0.24;;-3.24;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM430084;MM430084;C=CN=C1CN=C(NN)N1;AJLVUYIZTRMUKT-UHFFFAOYSA-N;139.16;-1.05;;;;;DOPC;MDCG;27;1;"MARTINI bead: SP2_SNd";;;;;;;-0.24;;-4.56;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM430085;MM430085;C=CC1(C2C(C)C2N)CN1;LVXWSHYMCZMIFL-UHFFFAOYSA-N;138.21;0.11;;;;;DOPC;MDCG;27;1;"MARTINI bead: SNd_SP1";;;;;;;0.04;;-4.93;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM430086;MM430086;C=CC(=NO)C1CC1C=C;UHYDGALBOJYSDT-UHFFFAOYSA-N;137.18;1.82;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda_SC4";;;;;;;2.2;;0.49;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM430087;MM430087;CC=NOCC1(C#N)CO1;ARVXWGVCFXTPCU-UHFFFAOYSA-N;140.14;0.3;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_SP1";;;;;;;0.04;;-2.54;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM430088;MM430088;C=COC=CC(C=C)=NO;QPESMXRAEIUBRG-UHFFFAOYSA-N;139.15;1.68;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda_Na";;;;;;;0.87;;-1.99;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM430089;MM430089;CC(C)=C1C=CC(C#N)=C1;RGGZXJWBWXTHQI-UHFFFAOYSA-N;131.18;2.34;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC3_SN0";;;;;;;2.87;;0.37;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM430090;MM430090;C=C(F)COC(C)=NN;BOMPEZRYHUTTOI-UHFFFAOYSA-N;132.14;0.78;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda_C5";;;;;;;1.64;;0.05;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM430091;MM430091;O=c1nc(O)c(O)no1;PRAYCNAENPSCDA-UHFFFAOYSA-N;130.06;-1.16;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP3_SP3";;;;;;;-3.07;;-10.29;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM430092;MM430092;COCON=CC=NN;MKFPEMHIVHCFRO-UHFFFAOYSA-N;131.14;-0.46;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_Nd";;;;;;;-0.24;;-3.16;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM430093;MM430093;C#CC1(CCC=CC)CC1;KGTVGZKRQNZCSJ-UHFFFAOYSA-N;134.22;2.76;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1_SC5";;;;;;;3.68;;0.46;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM430094;MM430094;C=CC(C=COC=O)=NO;KZKPXZSZEZQGDE-UHFFFAOYSA-N;141.13;0.69;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda_Na";;;;;;;0.87;;-1.99;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM430095;MM430095;C#CC1=CC(=C(C)C)C=C1;ZQLJIFXLZVGQJP-UHFFFAOYSA-N;130.19;2.45;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC3_SC5";;;;;;;3.34;;0.48;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM430096;MM430096;CC(C)=COC(C)=NN;PLHIQESYMPBROK-UHFFFAOYSA-N;128.18;1.22;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4_P2";;;;;;;1.09;;-0.38;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM430097;MM430097;C=CC1(C2C(N)C2N)CN1;YKSYBJSYURUQGB-UHFFFAOYSA-N;139.2;-1.2;;;;;DOPC;MDCG;27;1;"MARTINI bead: SP3_SP1";;;;;;;-1.93;;-6.45;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM430098;MM430098;C=CC(=NO)C1CC1C#N;SDYRHUHYJYEKMN-UHFFFAOYSA-N;136.15;1.16;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda_SN0";;;;;;;1.17;;-1.13;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM430099;MM430099;C=COC=CC(C=O)=NO;DOIZJDOPJKIEHJ-UHFFFAOYSA-N;141.13;0.69;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_Na";;;;;;;0.04;;-2.54;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM430100;MM430100;C#CC1(CCC=CF)CC1;LHFDPORCZZPTOW-UHFFFAOYSA-N;138.19;2.66;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4_SC5";;;;;;;2.97;;0.45;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM430101;MM430101;CC(=O)N1CCC(F)CC1;SZXZHDZXOAJTOX-UHFFFAOYSA-N;145.18;0.97;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNda_SNa";;;;;;;0.87;;-1.99;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM430102;MM430102;CC(F)=COC(C)=NN;XYUCZOKAEDTNBX-UHFFFAOYSA-N;132.14;1.13;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_Nd";;;;;;;0.87;;-1.88;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM430103;MM430103;C=CC1(C2C(N)C2O)CN1;LARYONFTCGSNRW-UHFFFAOYSA-N;140.19;-1.17;;;;;DOPC;MDCG;27;1;"MARTINI bead: SP2_SP1";;;;;;;-1.06;;-5.43;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM430104;MM430104;C=CC(=CC)C1NC1C=C;WSHKKTQMKBPVIW-UHFFFAOYSA-N;135.21;1.65;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1_SP1";;;;;;;2.08;;0.51;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM430105;MM430105;C#CC1(CCC=NN)CC1;ANQRIVITWFDJMS-UHFFFAOYSA-N;136.2;1.12;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nd_SC5";;;;;;;1.64;;0.02;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM430106;MM430106;C=C1CCN(C(C)C)CC1;FAMIXDVXNZZMRF-UHFFFAOYSA-N;139.24;2.05;;;;;DOPC;MDCG;27;1;"MARTINI bead: SC4_SN0";;;;;;;2.5;;-0.48;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM430107;MM430107;CCn1oc(O)nc1=NC;NQYMZFYYUJXPFA-UHFFFAOYSA-N;143.15;-0.27;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP1_SP1";;;;;;;-0.79;;-7.92;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM430108;MM430108;CC(=NN)OC=C(F)F;OKLSGAOMCRDMHO-UHFFFAOYSA-N;136.1;1.03;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_C4";;;;;;;1.09;;-0.38;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM430109;MM430109;C=CC1(C2C(C)C2C)CO1;PUHOEUUNQAFVPA-UHFFFAOYSA-N;138.21;1.84;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC5_SNa";;;;;;;1.64;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM430110;MM430110;C=CC1NC1C(C=O)=CC;FSICYQZUZLXNNV-UHFFFAOYSA-N;137.18;0.66;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_SP1";;;;;;;0.04;;-2.54;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM430111;MM430111;C=NNCC(C#N)ON=C;GLEGRXJRNBUHAG-UHFFFAOYSA-N;140.15;-0.28;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_Na";;;;;;;0.04;;-2.54;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM430112;MM430112;C=C(C)C1CC=C(C)CC1;XMGQYMWWDOXHJM-UHFFFAOYSA-N;136.24;3.31;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC1_SC2";;;;;;;4.87;;0.53;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM430113;MM430113;C#CC1(CCC=NO)CC1;USWNHFRNJDGVGD-UHFFFAOYSA-N;137.18;1.64;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_SC5";;;;;;;0.81;;-0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM430114;MM430114;Nc1n[nH]c(=NO)oc1=O;SKLDIBVZZZEFPK-UHFFFAOYSA-N;144.09;-1.77;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP3_SP3";;;;;;;-3.07;;-10.25;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM430115;MM430115;CC1C(C)C1C1(C=O)CO1;FYCZJXDIMKYJTA-UHFFFAOYSA-N;140.18;0.86;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC5_SP2";;;;;;;0.54;;-1.09;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM430116;MM430116;C=CC1NC1C(C#N)=CC;CBCGNCQXMJBLLE-UHFFFAOYSA-N;134.18;0.98;;;;;DOPC;MDCG;27;0;"MARTINI bead: N0_SP1";;;;;;;0.34;;-1.53;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM430117;MM430117;N=CNNC=C(C=N)C=O;ITJCHIRDTUFKDO-UHFFFAOYSA-N;140.15;-0.58;;;;;DOPC;MDCG;27;1;"MARTINI bead: P4_P1";;;;;;;-2.01;;-7.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM430118;MM430118;C#CC1(CNC=NN)CC1;MJMPFBFBKHXKEU-UHFFFAOYSA-N;137.19;-0.11;;;;;DOPC;MDCG;27;1;"MARTINI bead: P3_SC5";;;;;;;-0.33;;-3.14;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM430119;MM430119;C=CCc1nc(CC)co1;HISWZLPIPGMICY-UHFFFAOYSA-N;137.18;1.97;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNa_SN0";;;;;;;1.17;;-1.18;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM430120;MM430120;CC(=N)N1CC=C(F)CC1;NNHNZYIJRKFSEC-UHFFFAOYSA-N;142.18;1.54;;;;;DOPC;MDCG;27;1;"MARTINI bead: SNd_SNa";;;;;;;0.87;;-6.22;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM430121;MM430121;CC1C(C)C1C1(C#N)CO1;BYHWICHGSJJSQE-UHFFFAOYSA-N;137.18;1.18;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC5_SP1";;;;;;;0.81;;-0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM430122;MM430122;C=CC1NC1C(C=O)=CN;NIAMCWVVKSOWHO-UHFFFAOYSA-N;138.17;-0.45;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_SP1";;;;;;;-1.06;;-3.82;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM430123;MM430123;N=CC(C=O)=CNNC=O;ULHBKQZATKZEJR-UHFFFAOYSA-N;141.13;-1.03;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1_P4";;;;;;;-2.01;;-8.11;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM430124;MM430124;C#CC1(COC=CF)CC1;CNVAEDRQJMJONV-UHFFFAOYSA-N;140.16;1.86;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_SC5";;;;;;;1.64;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM430125;MM430125;CC(C)n1ncc(=N)nn1;VZMNWDJVCJFCFY-UHFFFAOYSA-N;139.16;-0.27;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP2_SP2";;;;;;;-1.34;;-4.31;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM430126;MM430126;CCc1coc(CC#N)n1;IJXCDGRGKALKOU-UHFFFAOYSA-N;136.15;1.3;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNa_SN0";;;;;;;1.17;;-1.18;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM430127;MM430127;CC1C(O)C1C1(C=O)CO1;DLBDFCDUARLPIB-UHFFFAOYSA-N;142.15;-0.42;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNda_SP2";;;;;;;-0.24;;-3.31;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM430128;MM430128;C=CC1NC1C(C#N)=CN;SLNQBIGSOFJVJZ-UHFFFAOYSA-N;135.17;-0.12;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_SP1";;;;;;;-0.79;;-3.13;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM430129;MM430129;C=CC(C=NOC=O)=CC;CHIAUUUWOAMBGS-UHFFFAOYSA-N;139.15;1.28;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1_P2";;;;;;;1.8;;0.4;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM430130;MM430130;C#CC1(NNC=NC)CC1;DRCAAUJXWZOPDH-UHFFFAOYSA-N;137.19;-0.1;;;;;DOPC;MDCG;27;1;"MARTINI bead: P3_SC5";;;;;;;-0.33;;-4.17;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM430131;MM430131;CC(C)n1ncc(=O)nn1;LNMQLJODLJINNL-UHFFFAOYSA-N;140.15;-0.39;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP2_SP2";;;;;;;-1.34;;-4.31;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM430132;MM430132;C=CCc1nc(CO)co1;COMZMGHEGGEWQW-UHFFFAOYSA-N;139.15;0.9;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP1_SN0";;;;;;;0.34;;-1.53;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM430133;MM430133;CC1C(F)C1C1(C=O)CO1;DJJMZRZOQNVLKA-UHFFFAOYSA-N;144.15;0.56;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNa_SP2";;;;;;;-0.24;;-3.24;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM430134;MM430134;C=CC1NC1C(C#N)=CF;HUNQQQIABPFJSB-UHFFFAOYSA-N;138.15;0.89;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_SP1";;;;;;;0.04;;-2.54;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM430135;MM430135;C=CC(C=NOC=O)=CF;UISJKTCKKINUHH-UHFFFAOYSA-N;143.12;1.18;;;;;DOPC;MDCG;27;0;"MARTINI bead: C2_P2";;;;;;;1.72;;0.27;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM430136;MM430136;C#CC1(OCC=CF)CC1;SBPBCDWGQGXJEQ-UHFFFAOYSA-N;140.16;1.65;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4_SP1";;;;;;;1.37;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM430137;MM430137;C=C1CC=C(C(C)C)CC1;SCWPFSIZUZUCCE-UHFFFAOYSA-N;136.24;3.31;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC1_SC4";;;;;;;4.24;;0.42;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM430138;MM430138;C=CCc1nc(CF)co1;NJANALGJVGRFAP-UHFFFAOYSA-N;141.15;1.87;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNa_SN0";;;;;;;1.17;;-1.18;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM430139;MM430139;CC1C(F)C1C1(C#N)CO1;ISBIFEVFXYGHOI-UHFFFAOYSA-N;141.15;0.88;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNa_SP1";;;;;;;0.04;;-2.54;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM430140;MM430140;C=CC(=CC)C1NC1C#N;IJPBGKZDQOLLIV-UHFFFAOYSA-N;134.18;0.98;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1_SP2";;;;;;;1.8;;0.4;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM430141;MM430141;CC=C(C#N)C=NOC=O;HOXBXNMLOJAHJR-UHFFFAOYSA-N;138.13;0.62;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_P2";;;;;;;0.54;;-1.09;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM430142;MM430142;C=C1CC=C(C(=C)C)CC1;NBNFEXLDJKPKKU-UHFFFAOYSA-N;134.22;3.23;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC1_SC4";;;;;;;4.24;;0.42;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM430143;MM430143;C#CC1(ONC=NO)CC1;UMQNJLGQSRRAAN-UHFFFAOYSA-N;140.14;0.09;;;;;DOPC;MDCG;27;0;"MARTINI bead: P3_SP1";;;;;;;-1.93;;-4.72;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM430144;MM430144;N#CCc1nc(CF)co1;YBRZEZSCLIWBPA-UHFFFAOYSA-N;140.12;1.21;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNa_SN0";;;;;;;1.17;;-1.18;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM430145;MM430145;C=CC1(C2C(N)C2N)CO1;IVZLWQPKJNZGJM-UHFFFAOYSA-N;140.19;-0.77;;;;;DOPC;MDCG;27;1;"MARTINI bead: SP3_SNa";;;;;;;-1.1;;-6.19;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM430146;MM430146;N=CC(C=O)=CNOC=O;LFQRWFNYFZLYTB-UHFFFAOYSA-N;142.11;-0.6;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1_P2";;;;;;;-1.06;;-6.76;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM430147;MM430147;CN(N=CN)C(=O)C=O;FHDZZCZQUYZNGK-UHFFFAOYSA-N;129.12;-1.45;;;;;DOPC;MDCG;27;0;"MARTINI bead: P3_Na";;;;;;;-1.1;;-4.2;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM430148;MM430148;COC(CC(C)F)=NN;ALZQFZSGJIQJSA-UHFFFAOYSA-N;134.15;0.65;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_C5";;;;;;;0.81;;-0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM430149;MM430149;C#CC1(CCC=CC)CN1;WVXPCKSIAQFDFC-UHFFFAOYSA-N;135.21;1.32;;;;;DOPC;MDCG;27;0;"MARTINI bead: C2_SP1";;;;;;;2;;0.36;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM430150;MM430150;C=C(C)C1=CCC(=O)CC1;VFYTUGBINPOLAN-UHFFFAOYSA-N;136.19;2.24;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC1_SNa";;;;;;;2.91;;0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM430151;MM430151;C=CC1(C2C(N)C2O)CO1;YDRZCDIBUYTHCN-UHFFFAOYSA-N;141.17;-0.74;;;;;DOPC;MDCG;27;1;"MARTINI bead: SP2_SNa";;;;;;;-0.24;;-5.11;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM430152;MM430152;C=CC(=CF)C1NC1C#N;IOLNTVLXDOBPLX-UHFFFAOYSA-N;138.15;0.89;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4_SP2";;;;;;;1.09;;-0.38;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM430153;MM430153;C#CCC(C#N)=NNC=N;ZXUVBOQZZPAJJG-UHFFFAOYSA-N;134.14;0.09;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_N0";;;;;;;0.34;;-1.53;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM430154;MM430154;CNc1coc(CC#N)n1;NEECTQFMBTZKTE-UHFFFAOYSA-N;137.14;0.78;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNda_SN0";;;;;;;1.17;;-1.13;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM430155;MM430155;C=C(C)C1=CNC(=N)CC1;HHGJBWUFWMRQPH-UHFFFAOYSA-N;136.2;1.81;;;;;DOPC;MDCG;27;1;"MARTINI bead: SN0_SNd";;;;;;;1.17;;-5.32;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM430156;MM430156;CC1C(C2(C#N)CC2)N1C;GTMAUPIKDOXHFA-UHFFFAOYSA-N;136.2;0.99;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNd_SN0";;;;;;;1.17;;-1.04;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM430157;MM430157;C#CC1(CCC=CF)CN1;BXUXZFRYTDDXAA-UHFFFAOYSA-N;139.17;1.23;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4_SP1";;;;;;;1.37;;-0.05;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM430158;MM430158;CN(N=CN)C(=O)C#N;NSNUAVGTMMMRIH-UHFFFAOYSA-N;126.12;-1.13;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_P2";;;;;;;-1.34;;-4.31;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM430159;MM430159;O=CNNC=C(C=O)N=O;SGZHBFOAAMIVBW-UHFFFAOYSA-N;143.1;-0.96;;;;;DOPC;MDCG;27;0;"MARTINI bead: P4_Na";;;;;;;-1.19;;-4.76;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM430160;MM430160;C=CCc1nc(OC)co1;PNSIRBQRRMBSJQ-UHFFFAOYSA-N;139.15;1.41;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNa_SN0";;;;;;;1.17;;-1.18;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM430161;MM430161;C=C(C)C1=CNC(=O)CC1;MOVRLFCMFTYHHF-UHFFFAOYSA-N;137.18;1.36;;;;;DOPC;MDCG;27;0;"MARTINI bead: SN0_SP1";;;;;;;0.34;;-1.53;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM430162;MM430162;C#CC1(CCC=NN)CN1;KNCULMIZOKLROC-UHFFFAOYSA-N;137.19;-0.31;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nd_SP1";;;;;;;0.04;;-2.63;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM430163;MM430163;CC1C(C)N1C1(C#N)CC1;GCQISKHKGJFBEL-UHFFFAOYSA-N;136.2;1.14;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP1_SP2";;;;;;;-1.06;;-3.82;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM430164;MM430164;CC=C(C#N)C1NC1C#N;IQIRDCJLGOOYGB-UHFFFAOYSA-N;133.15;0.32;;;;;DOPC;MDCG;27;0;"MARTINI bead: N0_SP2";;;;;;;0.06;;-2.21;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM430165;MM430165;CC(C)C(C#N)NCC=O;WSDORYSEYGXEFZ-UHFFFAOYSA-N;140.19;0.32;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_Na";;;;;;;0.04;;-2.54;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM430166;MM430166;C=C(C)COC(=NN)OC;HWTDJPQHJICCJD-UHFFFAOYSA-N;144.17;0.46;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_C4";;;;;;;1.09;;-0.38;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM430167;MM430167;C=C(C)C1=CCC(=N)NC1;XRORSASYVLNLCR-UHFFFAOYSA-N;136.2;1.46;;;;;DOPC;MDCG;27;1;"MARTINI bead: SN0_SNd";;;;;;;1.17;;-5.23;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM430168;MM430168;COc1coc(CC#N)n1;PDXFTOKTRKZILZ-UHFFFAOYSA-N;138.13;0.75;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNa_SN0";;;;;;;1.17;;-1.18;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM430169;MM430169;C#CC1(C2C(C)C2C)CC1;SKMVASKAFAHCQB-UHFFFAOYSA-N;134.22;2.3;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC5_SC5";;;;;;;2.41;;0.64;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM430170;MM430170;CC=C1NC(=N)C(=O)O1;BOLVDABIBOLJJJ-UHFFFAOYSA-N;126.12;-0.03;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNd_SP2";;;;;;;-0.24;;-3.16;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM430171;MM430171;C#CCC=CC(C=C)=CC;CPFZDMQXYNUJRV-UHFFFAOYSA-N;132.21;2.7;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1_C5";;;;;;;3.68;;0.46;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM430172;MM430172;C=C(C)C1=CCC(=O)NC1;PWZBHVGBDLSCLK-UHFFFAOYSA-N;137.18;1.01;;;;;DOPC;MDCG;27;0;"MARTINI bead: SN0_SP1";;;;;;;0.34;;-1.53;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM430173;MM430173;C#CC1(CNN=CC)CN1;KLDXJXQKVSVFLQ-UHFFFAOYSA-N;137.19;-0.44;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nd_SP1";;;;;;;0.04;;-2.63;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM430174;MM430174;C#CC1(C2C(C)C2N)CC1;UJPPALUCNHOCCU-UHFFFAOYSA-N;135.21;0.99;;;;;DOPC;MDCG;27;1;"MARTINI bead: SNd_SC5";;;;;;;1.64;;-2.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM430175;MM430175;COC(CC(F)F)=NN;LWCYTNLNCKOEPE-UHFFFAOYSA-N;138.12;0.56;;;;;DOPC;MDCG;27;0;"MARTINI bead: N0_P1";;;;;;;0.34;;-1.53;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM430176;MM430176;N#CC1NC1C(C=O)=CN;AGNJTPPYORBLDQ-UHFFFAOYSA-N;137.14;-1.11;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_SP2";;;;;;;-1.34;;-4.31;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM430177;MM430177;C=C1CC=C(C(=C)C)CO1;RTMIAONGIIPZIN-UHFFFAOYSA-N;136.19;2.42;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC4_SNa";;;;;;;2.2;;0.34;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM430178;MM430178;C#CCC=CC(C=O)=CC;XSZHIFRKOSCYQE-UHFFFAOYSA-N;134.18;1.71;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_C5";;;;;;;1.64;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM430179;MM430179;CCC=NN=CC=NN;VPXUGDPQSBMYPU-UHFFFAOYSA-N;126.16;0.4;;;;;DOPC;MDCG;27;0;"MARTINI bead: N0_Nd";;;;;;;1.17;;-1.04;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM430180;MM430180;C#CC1(COC=CC)CN1;BKXFWKLZLALKFO-UHFFFAOYSA-N;137.18;0.51;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_SP3";;;;;;;-0.33;;-2.01;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM430181;MM430181;N#CC(=CN)C1NC1C#N;SIMQNQADVQMAID-UHFFFAOYSA-N;134.14;-0.78;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_SP2";;;;;;;-1.06;;-3.82;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM430182;MM430182;C=CCc1nc(CC)no1;MMKHXGFQLYBCOP-UHFFFAOYSA-N;138.17;1.36;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNa_SNa";;;;;;;0.87;;-2.22;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM430183;MM430183;C=C(C)C1=CCC(=O)OC1;IHDMIRKBTKQSRS-UHFFFAOYSA-N;138.17;1.44;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC4_SNa";;;;;;;2.2;;0.34;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM430184;MM430184;C#CC1(C2C(N)C2N)CC1;OEUQZTMEPCYAIX-UHFFFAOYSA-N;136.2;-0.32;;;;;DOPC;MDCG;27;1;"MARTINI bead: SP3_SC5";;;;;;;-0.33;;-4.05;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM430185;MM430185;C#CCC=CC(C#N)=CC;VPVAIWZQDBSJRO-UHFFFAOYSA-N;131.18;2.04;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_C5";;;;;;;2.41;;0.64;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM430186;MM430186;C#CC1(CCC=CC)CO1;GZWLYRQWXMZGSY-UHFFFAOYSA-N;136.19;1.74;;;;;DOPC;MDCG;27;0;"MARTINI bead: C2_SNa";;;;;;;2.83;;0.35;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM430187;MM430187;Cn1nc(C#N)nc1N;XIYLDPNSVOXTGH-UHFFFAOYSA-N;123.12;-0.73;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP1_SP2";;;;;;;-1.06;;-3.82;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM430188;MM430188;CCc1noc(CC#N)n1;CHSLJOCABAWFJZ-UHFFFAOYSA-N;137.14;0.7;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNa_SNa";;;;;;;0.87;;-2.22;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM430189;MM430189;C#CCC=CC(C=O)=CN;FMDWFALCWZAEFN-UHFFFAOYSA-N;135.17;0.61;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_C5";;;;;;;0.81;;-0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM430190;MM430190;CC1=CC=C(C(C)C)CC1;YHQGMYUVUMAZJR-UHFFFAOYSA-N;136.24;3.31;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC1_SC4";;;;;;;4.24;;0.42;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM430191;MM430191;C#CC1(C2C(N)C2O)CC1;ULOFFLNYERNYHK-UHFFFAOYSA-N;137.18;-0.28;;;;;DOPC;MDCG;27;1;"MARTINI bead: SP2_SC5";;;;;;;0.54;;-3.01;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM430192;MM430192;N#CC(=CF)C1NC1C#N;HJRMXDHIWJYZKX-UHFFFAOYSA-N;137.12;0.23;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_SP2";;;;;;;-0.24;;-3.24;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM430193;MM430193;C#CC1(CCC=CF)CO1;ULISXZOFNCGLGD-UHFFFAOYSA-N;140.16;1.65;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4_SNa";;;;;;;2.2;;0.34;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM430194;MM430194;C=CCc1nc(CO)no1;MRGIOPBGFAVOJQ-UHFFFAOYSA-N;140.14;0.29;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP1_SNa";;;;;;;0.04;;-2.54;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM430195;MM430195;C#CCC=CC(C#N)=CN;WKZHSHJLZLYJMN-UHFFFAOYSA-N;132.17;0.93;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_C5";;;;;;;0.81;;-0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM430196;MM430196;CC1=NN=C(C(C)C)CC1;HMZCRFTZMCXDGZ-UHFFFAOYSA-N;138.21;2.25;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC4_SN0";;;;;;;2.5;;0.44;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM430197;MM430197;C#CC1(C2C(C)C2C)CN1;JTBPCALAEYHJLT-UHFFFAOYSA-N;135.21;0.86;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC5_SP3";;;;;;;-0.33;;-2.01;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM430198;MM430198;C=CC(=NN)C1NC1C=C;YYFRRGSRUROVIK-UHFFFAOYSA-N;137.19;0.01;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nd_SP1";;;;;;;0.04;;-2.63;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM430199;MM430199;C#CC1(CCC=NO)CO1;HFWDOZLINGLIBQ-UHFFFAOYSA-N;139.15;0.63;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_SNa";;;;;;;0.04;;-2.54;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM430200;MM430200;N#CCc1nc(CO)no1;DZHYBDZZZNQWRB-UHFFFAOYSA-N;139.11;-0.37;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP1_SNa";;;;;;;0.04;;-2.54;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM430201;MM430201;C=C(C)C1=CC=C(C)CC1;XNMPFDIYAMOYRM-UHFFFAOYSA-N;134.22;3.23;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC1_SC4";;;;;;;4.24;;0.42;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM430202;MM430202;C#CCC=CC(C=O)=CF;OSABWXSISNURSA-UHFFFAOYSA-N;138.14;1.62;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_C5";;;;;;;1.64;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM430203;MM430203;C#CC1(C2C(C)C2N)CN1;WZHCDNXEVGSWPR-UHFFFAOYSA-N;136.2;-0.45;;;;;DOPC;MDCG;27;1;"MARTINI bead: SNd_SP3";;;;;;;-1.1;;-6.2;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM430204;MM430204;N=C(N)C(=O)C#CC(=O)O;MJMIOBILTRPJDW-UHFFFAOYSA-N;140.1;-1.42;;;;;DOPC;MDCG;27;0;"MARTINI bead: P3_Nda";;;;;;;-1.1;;-8.5;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM430205;MM430205;C=C(F)COC(=NN)OC;HUKBUZXECMXKBS-UHFFFAOYSA-N;148.14;0.36;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_C5";;;;;;;0.54;;-1.09;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM430206;MM430206;C=CCc1nc(CF)no1;VANRNKIXKPHQBP-UHFFFAOYSA-N;142.13;1.27;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNa_SNa";;;;;;;0.87;;-2.22;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM430207;MM430207;C#CCC=CC(C#N)=CF;JIZFBPZGCNCFRA-UHFFFAOYSA-N;135.14;1.94;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_C5";;;;;;;1.64;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM430208;MM430208;C=C(C)C1=CC=C(F)CC1;COXDAMJTWIALBO-UHFFFAOYSA-N;138.19;3.14;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC1_SC4";;;;;;;4.24;;0.42;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM430209;MM430209;C=CC=NN=CC=NN;OSWNWFBCTLTPFQ-UHFFFAOYSA-N;124.15;0.17;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nd_N0";;;;;;;1.17;;-1.04;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM430210;MM430210;C#CC1(CNN=CC)CO1;VKNKRZCVKFWOLQ-UHFFFAOYSA-N;138.17;-0.02;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nd_SNa";;;;;;;0.87;;-1.88;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM430211;MM430211;N#CC(O)(C#N)CC(=O)O;OXFHMYKYADJMAY-UHFFFAOYSA-N;140.1;-0.76;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_P2";;;;;;;-1.06;;-9.09;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM430212;MM430212;N#CCc1nc(CF)no1;ABYPFEHKWWIIDS-UHFFFAOYSA-N;141.11;0.61;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNa_SNa";;;;;;;0.87;;-2.22;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM430213;MM430213;C#CCC=CC(C=C)=NN;PADUXGJTAMEDMY-UHFFFAOYSA-N;134.18;1.07;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nd_C5";;;;;;;1.64;;0.02;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM430214;MM430214;C=C(C)C1=CCN(C)N=C1;LLSJGCJQLDMFMR-UHFFFAOYSA-N;136.2;1.42;;;;;DOPC;MDCG;27;0;"MARTINI bead: SN0_SN0";;;;;;;1.47;;-0.05;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM430215;MM430215;C#CC1(C2C(N)C2N)CN1;ODGFQUXQHDHUOL-UHFFFAOYSA-N;137.19;-1.75;;;;;DOPC;MDCG;27;1;"MARTINI bead: SP3_SP3";;;;;;;-3.07;;-7.86;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM430216;MM430216;C#CC1(COC=CF)CO1;NBIWTQVDYHVICC-UHFFFAOYSA-N;142.13;0.85;;;;;DOPC;MDCG;27;0;"MARTINI bead: N0_SNa";;;;;;;1.17;;-1.18;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM430217;MM430217;C=CCc1nc(NC)no1;FUKWIKJDOAHWCQ-UHFFFAOYSA-N;139.16;0.84;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNda_SNa";;;;;;;0.87;;-1.99;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM430218;MM430218;COn1[nH]c(=O)n(N)c1=O;YOIXBAZKEPKLPI-UHFFFAOYSA-N;146.11;-2.89;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP1_SP3";;;;;;;-1.93;;-9.1;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM430219;MM430219;C=CC(CC=CF)C(C)O;IYQZZEVFPRBNTE-UHFFFAOYSA-N;144.19;2.04;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_C4";;;;;;;2.97;;0.45;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM430220;MM430220;CC1=CCC(C(C)C)=CO1;LKICTBRGFYNGNI-UHFFFAOYSA-N;138.21;2.85;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC3_SC5";;;;;;;3.34;;0.48;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM430221;MM430221;C#CC1(C2C(N)C2O)CN1;OXNXRDOSEOFVGT-UHFFFAOYSA-N;138.17;-1.72;;;;;DOPC;MDCG;27;1;"MARTINI bead: SP2_SP3";;;;;;;-2.2;;-6.77;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM430222;MM430222;C#CC1(CON=CC)CO1;PYEQFESEDCXTDY-UHFFFAOYSA-N;139.15;0.41;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_SNa";;;;;;;0.87;;-2.22;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM430223;MM430223;C=CC(=CC)C1OC1C=C;CARLYTQKIKNWGO-UHFFFAOYSA-N;136.19;2.07;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1_SNa";;;;;;;2.91;;0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM430224;MM430224;CNc1noc(CC#N)n1;GQCVZFHZVDWHOY-UHFFFAOYSA-N;138.13;0.18;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNda_SNa";;;;;;;0.87;;-1.99;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM430225;MM430225;C#CC(C=CCCC)=CC;GMWBAGIQMCOACF-UHFFFAOYSA-N;134.22;2.92;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1_C4";;;;;;;4.24;;0.42;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM430226;MM430226;CC(C)=C1CCN(C)CC1;MFELQMPMZDJIPT-UHFFFAOYSA-N;139.24;2.05;;;;;DOPC;MDCG;27;1;"MARTINI bead: SNd_SN0";;;;;;;1.17;;-2.19;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM430227;MM430227;C#CC1(C2C(C)C2C)CO1;ISOYOSXKDJQZQM-UHFFFAOYSA-N;136.19;1.29;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC5_SNa";;;;;;;1.64;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM430228;MM430228;CC#CCCC1(CC)CC1;MAXNXPFHPVDRFG-UHFFFAOYSA-N;136.24;2.98;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC3_C4";;;;;;;3.9;;0.47;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM430229;MM430229;C=CC1OC1C(C#N)=CC;JALOQNZNNOVSCW-UHFFFAOYSA-N;135.17;1.41;;;;;DOPC;MDCG;27;0;"MARTINI bead: N0_SNa";;;;;;;1.17;;-1.18;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM430230;MM430230;C=CCc1nc(OC)no1;JQZCARUYYXLUBF-UHFFFAOYSA-N;140.14;0.81;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNa_SNa";;;;;;;0.87;;-2.22;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM430231;MM430231;C=C1CCC(=C(C)C)CC1;JAFDMBBDFYFVAB-UHFFFAOYSA-N;136.24;3.45;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC1_SC3";;;;;;;4.61;;0.31;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM430232;MM430232;C#CC(C=CCCN)=CC;FOVWJURUALFTRY-UHFFFAOYSA-N;135.21;1.47;;;;;DOPC;MDCG;27;1;"MARTINI bead: C4_Nd";;;;;;;2.2;;-2.18;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM430233;MM430233;C#CC1(C2C(C)C2O)CO1;SKENUDYYYKTHAP-UHFFFAOYSA-N;138.17;0.02;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNda_SNa";;;;;;;0.87;;-1.99;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM430234;MM430234;CC#CCCC1(CN)CC1;UEVLXMNKUWQUFG-UHFFFAOYSA-N;137.23;1.53;;;;;DOPC;MDCG;27;1;"MARTINI bead: C4_SNd";;;;;;;2.2;;-1.92;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM430235;MM430235;C=CC1OC1C(C#N)=CN;APNHJFPDAQODGT-UHFFFAOYSA-N;136.15;0.31;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_SNa";;;;;;;0.04;;-2.54;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM430236;MM430236;COc1noc(CC#N)n1;LRXRJESUBZHFNW-UHFFFAOYSA-N;139.11;0.14;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNa_SNa";;;;;;;0.87;;-2.22;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM430237;MM430237;C=C1C=CC(=C(C)C)CC1;GGZOALRVHCUDQE-UHFFFAOYSA-N;134.22;3.23;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC1_SC3";;;;;;;4.61;;0.31;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM430238;MM430238;C=C(C)C(=NN)OC=NN;YSUIODZGSMBFLP-UHFFFAOYSA-N;142.16;-0.25;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4_P2";;;;;;;1.09;;-0.38;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM430239;MM430239;C#CC1(C2C(N)C2N)CO1;UACJYHGBIFRHKZ-UHFFFAOYSA-N;138.17;-1.33;;;;;DOPC;MDCG;27;1;"MARTINI bead: SP3_SNa";;;;;;;-1.1;;-6.17;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM430240;MM430240;C#CC=NNCC(=C)C#N;DSCABWITPQHSNE-UHFFFAOYSA-N;133.15;0.27;;;;;DOPC;MDCG;27;0;"MARTINI bead: N0_P1";;;;;;;0.34;;-1.53;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM430241;MM430241;C#CCC1=CC(CC)=CC1;KDKKUUHEMAIFKP-UHFFFAOYSA-N;132.21;2.68;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC3_SC4";;;;;;;3.9;;0.47;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM430242;MM430242;C=CC1OC1C(C=O)=CF;NLYQKRMJQZMHTG-UHFFFAOYSA-N;142.13;0.99;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_SNa";;;;;;;0.87;;-2.22;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM430243;MM430243;CC1=CCC(=C(C)C)CC1;MOYAFQVGZZPNRA-UHFFFAOYSA-N;136.24;3.45;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC1_SC2";;;;;;;4.87;;0.53;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM430244;MM430244;C#CC(C=CCCC)=CF;HAWTVXVKISPKIO-UHFFFAOYSA-N;138.19;2.83;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1_C5";;;;;;;3.68;;0.46;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM430245;MM430245;C#CC1(C2C(N)C2O)CO1;JWPZNNNGHCWQGR-UHFFFAOYSA-N;139.15;-1.29;;;;;DOPC;MDCG;27;1;"MARTINI bead: SP2_SNa";;;;;;;-0.24;;-5.09;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM430246;MM430246;CC#CCCC1(NC)CC1;OSHAFTDUSIDANN-UHFFFAOYSA-N;137.23;1.54;;;;;DOPC;MDCG;27;1;"MARTINI bead: SNd_C4";;;;;;;2.2;;-2.29;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM430247;MM430247;C#CCC1=CC(CN)=CC1;YTJUIVOFGAUAQR-UHFFFAOYSA-N;133.19;1.22;;;;;DOPC;MDCG;27;1;"MARTINI bead: SNd_SC4";;;;;;;2.2;;-1.63;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM430248;MM430248;C=CC(=CC)C1OC1C=O;GTEFKPZGQMJKMP-UHFFFAOYSA-N;138.17;1.09;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1_SP2";;;;;;;1.8;;0.4;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM430249;MM430249;CC1=COC(=C(C)C)CC1;FVAPRHCBXYICHM-UHFFFAOYSA-N;138.21;2.99;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC5_SC3";;;;;;;3.34;;0.48;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM430250;MM430250;CNC1=NC(=NC=N)C=N1;BLVDBWJZVPCJFI-UHFFFAOYSA-N;137.15;-0.35;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP1_SP1";;;;;;;-0.79;;-3.13;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM430251;MM430251;CC#CCCC1(OC)CC1;SKGPPBPDUZPBCS-UHFFFAOYSA-N;138.21;1.97;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNa_C4";;;;;;;2.2;;0.34;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM430252;MM430252;C#CC1(C2C(C)N2C)CO1;BNTPFIWIKORYRH-UHFFFAOYSA-N;137.18;0.09;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNd_SNa";;;;;;;0.87;;-1.88;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM430253;MM430253;C#CCC1=CC(CO)=CC1;PPLDACROSXOOJZ-UHFFFAOYSA-N;134.18;1.26;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNda_SC4";;;;;;;2.2;;0.49;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM430254;MM430254;CC=C(C=O)C1OC1C=O;QBPHXGDRTOZQRO-UHFFFAOYSA-N;140.14;0.1;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_SP2";;;;;;;-0.24;;-3.24;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM430255;MM430255;CC(C)=C1CCC(F)=CO1;FTADZFOIXCCVEB-UHFFFAOYSA-N;142.17;2.9;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC3_SNa";;;;;;;2.57;;0.45;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM430256;MM430256;C#CC(C=CCCF)=CF;NBVHTEXHLMVKSP-UHFFFAOYSA-N;142.15;2.39;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_C5";;;;;;;2.41;;0.64;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM430257;MM430257;CC#CCNC1(CC)CC1;AAYJODMNBQEMEE-UHFFFAOYSA-N;137.23;1.54;;;;;DOPC;MDCG;27;1;"MARTINI bead: SNd_C4";;;;;;;2.2;;-1.15;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM430258;MM430258;C#CC1(N2C(C)C2C)CC1;QVEPWVIHLYVCJO-UHFFFAOYSA-N;135.21;1.24;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP1_SNd";;;;;;;0.04;;-2.63;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM430259;MM430259;CC=C(C=O)C1OC1C#N;PEPHAGPUHRKHIP-UHFFFAOYSA-N;137.14;0.42;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_SP1";;;;;;;0.04;;-2.54;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM430260;MM430260;C#CCC1=CC(CF)=CC1;PYSRERCJOQSPQB-UHFFFAOYSA-N;136.17;2.24;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC5_SC4";;;;;;;2.97;;0.45;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM430261;MM430261;C#CCC12CCC(C)C1C2;JDXAUZCWKAAGLR-UHFFFAOYSA-N;134.22;2.45;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC3_SC3";;;;;;;4.27;;0.2;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM430262;MM430262;C#CC(C=CCOC)=CC;UXUPDMQTMCOUCH-UHFFFAOYSA-N;136.19;1.77;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_C4";;;;;;;2.2;;0.34;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM430263;MM430263;CC#CCNC1(CN)CC1;DYGIBEMSYLIUKD-UHFFFAOYSA-N;138.21;0.09;;;;;DOPC;MDCG;27;1;"MARTINI bead: C4_SP2";;;;;;;1.09;;-2.42;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM430264;MM430264;CCC1(CC2CC2C)CC1;OFMYOIPLZWBRMI-UHFFFAOYSA-N;138.25;3.22;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC3_SC5";;;;;;;3.34;;0.48;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM430265;MM430265;C#CCC1=CC(OC)=CC1;SLMDNFITAPOJFV-UHFFFAOYSA-N;134.18;1.87;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNa_SC4";;;;;;;2.2;;0.34;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM430266;MM430266;NC=C(C=O)C1OC1C=O;URIOVGQMVVLONS-UHFFFAOYSA-N;141.13;-1.01;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_SP2";;;;;;;-1.34;;-4.31;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM430267;MM430267;C#CCC12CCC(N)C1C2;FNISNGXVEYHLCL-UHFFFAOYSA-N;135.21;1.14;;;;;DOPC;MDCG;27;1;"MARTINI bead: SNd_SC3";;;;;;;2.57;;-1.77;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM430268;MM430268;C#CC(C=COCC)=CC;NAPSYKRUQKBSLL-UHFFFAOYSA-N;136.19;2.12;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_C4";;;;;;;2.2;;0.34;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM430269;MM430269;CC#CCOC1(CC)CC1;SVXDQOFLPTUETQ-UHFFFAOYSA-N;138.21;1.97;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC3_Na";;;;;;;2.57;;0.45;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM430270;MM430270;CC1CC1CC1(CN)CC1;ITNXUVYIWSFRHC-UHFFFAOYSA-N;139.24;1.77;;;;;DOPC;MDCG;27;1;"MARTINI bead: SC5_SNd";;;;;;;1.64;;-2.39;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM430271;MM430271;C#CCc1cc(CC)c[nH]1;WXFJXYKYPYKTLB-UHFFFAOYSA-N;133.19;1.75;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC5_SNd";;;;;;;1.64;;0.02;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM430272;MM430272;N#CC1OC1C(C=O)=CN;SZNMSEPVCIPDMH-UHFFFAOYSA-N;138.13;-0.68;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_SP1";;;;;;;-1.06;;-3.82;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM430273;MM430273;CCOC(=NN)C(F)F;VLJYFCJGCYRDID-UHFFFAOYSA-N;138.12;0.56;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda_N0";;;;;;;1.17;;-1.13;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM430274;MM430274;C#CC(C=COCC)=CF;PTWJWHYCOCBJKM-UHFFFAOYSA-N;140.16;2.02;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_C5";;;;;;;1.64;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM430275;MM430275;CC#CCOC1(CN)CC1;MKWSAKNPEDGJCI-UHFFFAOYSA-N;139.2;0.52;;;;;DOPC;MDCG;27;1;"MARTINI bead: Na_SNd";;;;;;;0.87;;-4.01;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM430276;MM430276;C#CC=NN=CC=NN;JBLFLMIREHIGIF-UHFFFAOYSA-N;122.13;-0.38;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_C5";;;;;;;0.81;;-0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM430277;MM430277;C#CCc1cc(CN)c[nH]1;RCBGMAUIOARCBS-UHFFFAOYSA-N;134.18;0.65;;;;;DOPC;MDCG;27;1;"MARTINI bead: SP1_SNd";;;;;;;0.04;;-4.54;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM430278;MM430278;NN=c1nn[nH]o1;XCSXBJNKKGXEHS-UHFFFAOYSA-N;101.07;-1.83;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP2_SP2";;;;;;;-1.34;;-9.63;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM430279;MM430279;C#CCC12CCC(F)C1C2;MNCCXIWSJQITMF-UHFFFAOYSA-N;138.19;2.15;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC5_SC3";;;;;;;3.34;;0.48;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM430280;MM430280;C#CC(C=CCCC)=NN;PTWLNMVQZYTKOA-UHFFFAOYSA-N;136.2;1.29;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1_P1";;;;;;;2.08;;0.48;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM430281;MM430281;CC1CC1CC1(CF)CC1;NIDAFFDGIBWWDL-UHFFFAOYSA-N;142.22;2.78;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC5_SC5";;;;;;;2.41;;0.64;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM430282;MM430282;CC#CCOC1(CO)CC1;GOERTTXOQWIPHP-UHFFFAOYSA-N;140.18;0.55;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_SNda";;;;;;;0.87;;-1.99;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM430283;MM430283;C=CC(=CC)C1CN1C=N;RYLYBBYESCDVPI-UHFFFAOYSA-N;136.2;1.41;;;;;DOPC;MDCG;27;1;"MARTINI bead: C1_SP2";;;;;;;1.8;;-1.42;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM430284;MM430284;C#CCc1cc(CO)c[nH]1;STKMBPKHDXCXRI-UHFFFAOYSA-N;135.17;0.68;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNda_SNd";;;;;;;0.87;;-1.92;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM430285;MM430285;CCC1(CC2CC2N)CC1;DXFVYWNZEGMQHW-UHFFFAOYSA-N;139.24;1.91;;;;;DOPC;MDCG;27;1;"MARTINI bead: SC3_SNd";;;;;;;2.57;;-1.36;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM430286;MM430286;C#CCC12CCC(=C)C1C2;OCIXIMAUOPUXSD-UHFFFAOYSA-N;132.21;2.37;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC4_SC3";;;;;;;3.9;;0.47;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM430287;MM430287;C#CC(C=CCCC)=NO;MESKXICXNBFTMM-UHFFFAOYSA-N;137.18;1.81;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1_P1";;;;;;;2.08;;0.48;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM430288;MM430288;CC#CCOC1(CF)CC1;MAFVEOYMNWIJJN-UHFFFAOYSA-N;142.17;1.53;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_SC5";;;;;;;1.64;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM430289;MM430289;CC=C(C=O)C1CN1C=N;FFPKUPFAUIGZHD-UHFFFAOYSA-N;138.17;0.42;;;;;DOPC;MDCG;27;1;"MARTINI bead: Na_SP2";;;;;;;-0.24;;-5.7;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM430290;MM430290;C#CCc1cc(CF)c[nH]1;BCTRHUHLVGNIQI-UHFFFAOYSA-N;137.16;1.66;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNa_SNd";;;;;;;0.87;;-1.88;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM430291;MM430291;NCC1(CC2CC2N)CC1;DNXAGWCZNCGOSI-UHFFFAOYSA-N;140.23;0.46;;;;;DOPC;MDCG;27;1;"MARTINI bead: SNd_SNd";;;;;;;0.87;;-5;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM430292;MM430292;C#CCC12CCC(=N)N1C2;BHEJWRCTZSJBDQ-UHFFFAOYSA-N;134.18;0.84;;;;;DOPC;MDCG;27;1;"MARTINI bead: SNd_SN0";;;;;;;1.17;;-4.28;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM430293;MM430293;C#CC(C=CCCF)=NO;BEBFHVGQUIHCBE-UHFFFAOYSA-N;141.15;1.37;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_C5";;;;;;;0.81;;-0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM430294;MM430294;CC#CCOC1(OC)CC1;YDCJXGXUMSLAMR-UHFFFAOYSA-N;140.18;1.16;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNa_Na";;;;;;;0.87;;-2.22;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM430295;MM430295;CC=C(C#N)C1CN1C=N;BNSQHNOYMHHDRQ-UHFFFAOYSA-N;135.17;0.75;;;;;DOPC;MDCG;27;1;"MARTINI bead: N0_SP2";;;;;;;0.06;;-4.49;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM430296;MM430296;C=C(C)CC(=NN)OC;DBVWJLCYGGWTFS-UHFFFAOYSA-N;128.18;0.87;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_C4";;;;;;;1.37;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM430297;MM430297;NC1CC1CC1(CO)CC1;ALYBYQQAIHNCNP-UHFFFAOYSA-N;141.21;0.5;;;;;DOPC;MDCG;27;1;"MARTINI bead: SNd_SNda";;;;;;;0.87;;-4.56;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM430298;MM430298;C#CCC12CCC(=O)N1C2;IQGVDPPNLPDBAW-UHFFFAOYSA-N;135.17;0.38;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP2_SN0";;;;;;;0.06;;-2.21;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM430299;MM430299;C#CC(C=CCOC)=NN;UTVAOKNGPDPSQR-UHFFFAOYSA-N;138.17;0.14;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_Nd";;;;;;;0.87;;-1.88;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM430300;MM430300;CC#CCCC1(CN)CN1;UZRXNKGRVACINZ-UHFFFAOYSA-N;138.21;0.09;;;;;DOPC;MDCG;27;1;"MARTINI bead: C4_SP2";;;;;;;1.09;;-2.33;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM430301;MM430301;N=CN1CC1C(C=O)=CN;CVEGATORCOVARJ-UHFFFAOYSA-N;139.16;-0.68;;;;;DOPC;MDCG;27;1;"MARTINI bead: P2_SP2";;;;;;;-1.34;;-6.74;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM430302;MM430302;C#CCc1cc(OC)c[nH]1;CAPXSOQAEYKYRH-UHFFFAOYSA-N;135.17;1.2;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNa_SNd";;;;;;;0.87;;-1.88;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM430303;MM430303;C#CCC12CNC(=N)N1C2;DRLOYPLXGIRQSH-UHFFFAOYSA-N;135.17;-0.4;;;;;DOPC;MDCG;27;1;"MARTINI bead: SP2_SP2";;;;;;;-1.34;;-8.1;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM430304;MM430304;NCC1(CC2CC2O)CC1;KVWGOHXVTVTYPJ-UHFFFAOYSA-N;141.21;0.5;;;;;DOPC;MDCG;27;1;"MARTINI bead: SNd_SNda";;;;;;;0.87;;-4.41;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM430305;MM430305;C#CC(C=CCOC)=NO;AKERPCMJPGSVNW-UHFFFAOYSA-N;139.15;0.65;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_Nda";;;;;;;0.87;;-1.99;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM430306;MM430306;N#CC(=CN)C1CN1C=N;DCWIZZYQWUUJLS-UHFFFAOYSA-N;136.16;-0.36;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1_SP2";;;;;;;-1.06;;-6.08;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM430307;MM430307;CC#CCCC1(CC)CO1;JOZKBXGBXAIFFF-UHFFFAOYSA-N;138.21;1.97;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNa_C3";;;;;;;2.57;;0.45;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM430308;MM430308;C#CCc1cc(CC)co1;GTNKEURTXVQSHW-UHFFFAOYSA-N;134.18;2.02;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC4_SC5";;;;;;;2.97;;0.45;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM430309;MM430309;C#CCC12CNC(=O)N1C2;CBECEJDTHAULGF-UHFFFAOYSA-N;136.15;-0.21;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP3_SP2";;;;;;;-2.2;;-5.19;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM430310;MM430310;CN1CC2C(C1=O)N2C;OBLRMXXYNZLGSJ-UHFFFAOYSA-N;126.16;-0.86;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP1_SP1";;;;;;;-0.79;;-3.13;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM430311;MM430311;N=CN1CC1C(C=O)=CF;IAMMMRNJRXCGFH-UHFFFAOYSA-N;142.13;0.33;;;;;DOPC;MDCG;27;1;"MARTINI bead: Na_SP2";;;;;;;-0.24;;-5.63;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM430312;MM430312;C#CC(=CC=NCC)NN;GQHNHMDMHQKVNC-UHFFFAOYSA-N;137.19;0.06;;;;;DOPC;MDCG;27;1;"MARTINI bead: C5_P1";;;;;;;0.81;;-3.51;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM430313;MM430313;CC#CCCC1(CN)CO1;YIORFOCVALAKIJ-UHFFFAOYSA-N;139.2;0.52;;;;;DOPC;MDCG;27;1;"MARTINI bead: C4_SP2";;;;;;;1.09;;-2.39;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM430314;MM430314;C#CCc1cc(CN)co1;IBIZLKHQAJQXRI-UHFFFAOYSA-N;135.17;0.91;;;;;DOPC;MDCG;27;1;"MARTINI bead: SNd_SC5";;;;;;;1.64;;-1.15;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM430315;MM430315;CC#CC12CCC(C)C1C2;VVIAFDNIXWXMJP-UHFFFAOYSA-N;134.22;2.45;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC2_SC3";;;;;;;4.53;;0.32;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM430316;MM430316;CC1CC1C(O)C1CC1;QVBQXAZLOSCTMO-UHFFFAOYSA-N;126.2;1.41;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC5_SNda";;;;;;;1.64;;0.05;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM430317;MM430317;C#CC(=CC=NCC)NO;PUMOPCLFNJGFAS-UHFFFAOYSA-N;138.17;0.57;;;;;DOPC;MDCG;27;1;"MARTINI bead: C5_P1";;;;;;;0.81;;-3.19;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM430318;MM430318;N#CC(=CF)C1CN1C=N;UNVWWEFMQSECSD-UHFFFAOYSA-N;139.13;0.65;;;;;DOPC;MDCG;27;1;"MARTINI bead: Na_SP2";;;;;;;-0.24;;-5.47;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM430319;MM430319;CC#CCCC1(CO)CO1;YMKDDZYXXDKOFF-UHFFFAOYSA-N;140.18;0.55;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4_SP1";;;;;;;1.37;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM430320;MM430320;C#CCc1cc(CO)co1;VVRCDXPUKPJGHU-UHFFFAOYSA-N;136.15;0.95;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNda_SC5";;;;;;;1.64;;0.05;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM430321;MM430321;CC#CC12CNC(C)C1C2;FVJSKEXGUOQVJI-UHFFFAOYSA-N;135.21;1.01;;;;;DOPC;MDCG;27;1;"MARTINI bead: SN0_SNd";;;;;;;1.17;;-4.38;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM430322;MM430322;CCC1(CC2CC2F)CC1;OGKCJGMSNIQSDT-UHFFFAOYSA-N;142.22;2.92;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC3_SNa";;;;;;;2.57;;0.45;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM430323;MM430323;C#CC(C=COCC)=NN;LSSJBGQGYODIOF-UHFFFAOYSA-N;138.17;0.48;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_P1";;;;;;;0.81;;-0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM430324;MM430324;C=CC(=CC)C1CN1C=O;PEHBJNHIPCHOEM-UHFFFAOYSA-N;137.18;0.96;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1_SP2";;;;;;;1.8;;0.4;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM430325;MM430325;C=CC1(CCC#CC)CC1;XOHHKVSCBFYUKU-UHFFFAOYSA-N;134.22;2.76;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4_SC4";;;;;;;3.53;;0.53;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM430326;MM430326;C#CCc1cc(CF)co1;IGFYMCJVIZIYTM-UHFFFAOYSA-N;138.14;1.92;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC5_SC5";;;;;;;2.41;;0.64;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM430327;MM430327;NCC1(CC2CC2F)CC1;LDMNPIVVTMIZQX-UHFFFAOYSA-N;143.21;1.47;;;;;DOPC;MDCG;27;1;"MARTINI bead: SNd_SNa";;;;;;;0.87;;-4.38;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM430328;MM430328;CC#CC12COC(C)C1C2;RAGBZLDNTJSAAE-UHFFFAOYSA-N;136.19;1.43;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC5_SNa";;;;;;;1.64;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM430329;MM430329;C#CC(C=COCC)=NO;GEBRKGMWZNWSFA-UHFFFAOYSA-N;139.15;1;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_Nda";;;;;;;0.87;;-1.99;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM430330;MM430330;CC=C(C#N)C1CN1C=O;HWPAOHAOOCTKLL-UHFFFAOYSA-N;136.15;0.3;;;;;DOPC;MDCG;27;0;"MARTINI bead: N0_SP2";;;;;;;0.06;;-2.21;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM430331;MM430331;CC#CCCC1(C=O)CC1;CWUBNFMDBCGWFZ-UHFFFAOYSA-N;136.19;1.77;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4_SNa";;;;;;;2.2;;0.34;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM430332;MM430332;C#CCc1cc(NC)co1;KXDRZFPAPWUDPP-UHFFFAOYSA-N;135.17;1.5;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNd_SC5";;;;;;;1.64;;0.02;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM430333;MM430333;C#CC(C(C)C)C(C)(C)O;ZYAGPHMXZMCQDZ-UHFFFAOYSA-N;140.23;1.66;;;;;DOPC;MDCG;27;0;"MARTINI bead: C3_Nda";;;;;;;2.57;;0.44;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM430334;MM430334;CC#CC12CC1C(C)CN2;KYPUXFLMNTVIBD-UHFFFAOYSA-N;135.21;1.01;;;;;DOPC;MDCG;27;1;"MARTINI bead: SNd_SN0";;;;;;;1.17;;-3.55;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM430335;MM430335;N#CC(=CN)C1CN1C=O;DLBWJYWXRUWBIP-UHFFFAOYSA-N;137.14;-0.81;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_SP2";;;;;;;-1.06;;-3.82;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM430336;MM430336;C#CC(C=NNCC)=CC;DCILRRZVPBOJMT-UHFFFAOYSA-N;136.2;1.16;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_C4";;;;;;;1.37;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM430337;MM430337;CC#CCCC1(C#N)CC1;JPOFMLKWVURUKT-UHFFFAOYSA-N;133.19;2.09;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4_SN0";;;;;;;2.5;;0.44;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM430338;MM430338;C#CCc1cc(OC)co1;ANUCDRIUTZKFPZ-UHFFFAOYSA-N;136.15;1.46;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNa_SC5";;;;;;;1.64;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM430339;MM430339;N#CC(=CF)C1CN1C=O;YWGBZPKHSKUZDU-UHFFFAOYSA-N;140.12;0.2;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_SP2";;;;;;;-0.24;;-3.24;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM430340;MM430340;CNC1(CC2CC2C)CC1;PFVJPCDGHXMMNX-UHFFFAOYSA-N;139.24;1.78;;;;;DOPC;MDCG;27;1;"MARTINI bead: SNd_SC5";;;;;;;1.64;;-2.79;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM430341;MM430341;CC#CC12CC1C(N)CN2;XFKPKEJUJNNRSS-UHFFFAOYSA-N;136.2;-0.3;;;;;DOPC;MDCG;27;1;"MARTINI bead: SNd_SP2";;;;;;;-0.24;;-5.51;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM430342;MM430342;C#CC(C=NNCC)=CF;BDYHWDINGNCGOL-UHFFFAOYSA-N;140.16;1.07;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_C5";;;;;;;0.81;;-0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM430343;MM430343;CC#CCNC1(C#N)CC1;ALLWEQCMINBHPV-UHFFFAOYSA-N;134.18;0.66;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4_SP2";;;;;;;1.09;;-0.38;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM430344;MM430344;C#CCc1cc(CC)no1;WLWZSJWMNYMMEB-UHFFFAOYSA-N;135.17;1.41;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC5_SN0";;;;;;;1.94;;0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM430345;MM430345;CC#CC12CC1C(O)CN2;QJAWOICQXVMDGQ-UHFFFAOYSA-N;137.18;-0.27;;;;;DOPC;MDCG;27;1;"MARTINI bead: SNd_SP2";;;;;;;-0.24;;-4.82;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM430346;MM430346;CNC1(CC2CC2N)CC1;MZVLVTSANCHKHH-UHFFFAOYSA-N;140.23;0.48;;;;;DOPC;MDCG;27;1;"MARTINI bead: SNd_SNd";;;;;;;0.87;;-5.19;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM430347;MM430347;C=CC(=NN)C1CN1C=N;XWPYYTSAKMXEHN-UHFFFAOYSA-N;138.17;-0.22;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_SP2";;;;;;;-0.24;;-5.21;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM430348;MM430348;C#CC(C=NOCC)=CC;MIKXXHPKAIITKY-UHFFFAOYSA-N;137.18;1.59;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_C4";;;;;;;2.2;;0.34;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM430349;MM430349;C=CC1(OCC#CC)CC1;PJYBFKOSIVQHCD-UHFFFAOYSA-N;136.19;1.74;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4_SNa";;;;;;;2.2;;0.34;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM430350;MM430350;CNC1(CC2CC2O)CC1;MZZQANHSZYRUGG-UHFFFAOYSA-N;141.21;0.51;;;;;DOPC;MDCG;27;1;"MARTINI bead: SNd_SNda";;;;;;;0.87;;-4.5;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM430351;MM430351;CC#CC12CC1C(C)CO2;YKEKNVXDZGNEBE-UHFFFAOYSA-N;136.19;1.43;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNa_SN0";;;;;;;1.17;;-1.18;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM430352;MM430352;C#CCc1cc(CO)no1;CRGYMVFEARTGBA-UHFFFAOYSA-N;137.14;0.34;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNda_SN0";;;;;;;1.17;;-1.13;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM430353;MM430353;C#CC(C=NNCC)=NO;AAEQDKZEBNTWRX-UHFFFAOYSA-N;139.16;0.05;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nd_P1";;;;;;;0.04;;-2.63;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM430354;MM430354;C=CC(=NO)C1CN1C=N;ZQFBTIYHFVRJIR-UHFFFAOYSA-N;139.16;0.29;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nda_SP2";;;;;;;-0.24;;-5.14;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM430355;MM430355;CC#CCOC1(C=O)CC1;NOZIFUDHMJLZOF-UHFFFAOYSA-N;138.17;0.76;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4_SP2";;;;;;;1.09;;-0.38;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM430356;MM430356;C#CCc1cc(CF)no1;XQKKITQRWQGNHR-UHFFFAOYSA-N;139.13;1.32;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNa_SN0";;;;;;;1.17;;-1.18;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM430357;MM430357;CNC1(CC2CC2F)CC1;LKLQTAZYOHAREL-UHFFFAOYSA-N;143.21;1.49;;;;;DOPC;MDCG;27;1;"MARTINI bead: SNd_SNa";;;;;;;0.87;;-4.76;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM430358;MM430358;CC#CC12CC1C(N)CO2;YXCODWCGODLVGJ-UHFFFAOYSA-N;137.18;0.13;;;;;DOPC;MDCG;27;1;"MARTINI bead: SNa_SP2";;;;;;;-0.24;;-5.47;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM430359;MM430359;C#CC(C=CCC=C)=CC;FZXDCEMZJNIVFV-UHFFFAOYSA-N;132.21;2.7;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4_C3";;;;;;;3.9;;0.47;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM430360;MM430360;C=CC(=NN)C1CN1C=O;ZGIUESBHPLTAQN-UHFFFAOYSA-N;139.16;-0.67;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nd_SP2";;;;;;;-0.24;;-3.16;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM430361;MM430361;CC#CCOC1(C#N)CC1;XOWSJHNDAYXVIS-UHFFFAOYSA-N;135.17;1.08;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4_SP2";;;;;;;1.09;;-0.38;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM430362;MM430362;CC#CC12CC1C(O)CO2;OTHCRLVWMOQXCZ-UHFFFAOYSA-N;138.17;0.16;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNa_SP1";;;;;;;0.04;;-2.54;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM430363;MM430363;C#CCc1cc(OC)no1;CPVFPKZJNIZXJI-UHFFFAOYSA-N;137.14;0.86;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNa_SN0";;;;;;;1.17;;-1.18;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM430364;MM430364;COC1(CC2CC2C)CC1;LQBMMEWRUORPHS-UHFFFAOYSA-N;140.23;2.21;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNa_SC5";;;;;;;1.64;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM430365;MM430365;C#CC(C=CCC=O)=CC;AVBCJTCXGQVRBV-UHFFFAOYSA-N;134.18;1.71;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4_Na";;;;;;;2.2;;0.34;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM430366;MM430366;N#CC(=CN)C(=O)O;IGUUOBNMPRCMCA-UHFFFAOYSA-N;112.09;-0.56;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_P1";;;;;;;-0.79;;-9.05;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM430367;MM430367;CC#CCCC1(C=O)CN1;SCFAZLPMZGZKMY-UHFFFAOYSA-N;137.18;0.33;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4_SP2";;;;;;;1.09;;-0.37;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM430368;MM430368;CC#CC12CC1C(F)CO2;PVJFVFUUXZHESQ-UHFFFAOYSA-N;140.16;1.14;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNa_SNa";;;;;;;0.87;;-2.22;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM430369;MM430369;C#CCc1nc(CC)co1;YVIXJBWRLCPDQP-UHFFFAOYSA-N;135.17;1.41;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNa_SN0";;;;;;;1.17;;-1.18;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM430370;MM430370;COC1(CC2CC2N)CC1;VYNYRGXDBRBZPE-UHFFFAOYSA-N;141.21;0.9;;;;;DOPC;MDCG;27;1;"MARTINI bead: SNa_SNd";;;;;;;0.87;;-4.53;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM430371;MM430371;C#CC(C=CCC#N)=CC;NZMXWQVCANSCGV-UHFFFAOYSA-N;131.18;2.04;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4_P1";;;;;;;1.37;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM430372;MM430372;NN=c1oc(O)noc1=O;PMBCHZDIVGSZEK-UHFFFAOYSA-N;145.07;-1.89;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP2_SP3";;;;;;;-2.2;;-9.64;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM430373;MM430373;C=C1CNC2(C#CC)CC12;RGZPWIIIFFIKPO-UHFFFAOYSA-N;133.19;0.93;;;;;DOPC;MDCG;27;1;"MARTINI bead: SNd_SP1";;;;;;;0.04;;-4.16;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM430374;MM430374;CC#CCCC1(C#N)CN1;SXIBJLDATRMPDG-UHFFFAOYSA-N;134.18;0.66;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4_SP1";;;;;;;1.37;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM430375;MM430375;C#CC(C=CCC=C)=CF;DIVWWFLRKNENPH-UHFFFAOYSA-N;136.17;2.61;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_C2";;;;;;;3.6;;0.34;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM430376;MM430376;COC1(CC2CC2O)CC1;BJIMTXQWLQOHLJ-UHFFFAOYSA-N;142.2;0.94;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNa_SNda";;;;;;;0.87;;-1.99;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM430377;MM430377;C#CCc1nc(CO)co1;UBQGHFFHUUNCQP-UHFFFAOYSA-N;137.14;0.34;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP1_SN0";;;;;;;0.34;;-1.53;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM430378;MM430378;C=CC(=CC)C1CN1N=C;CDITVGOZRVYTPH-UHFFFAOYSA-N;136.2;1.42;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1_SP2";;;;;;;1.8;;0.4;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM430379;MM430379;C=COC(=NN)C(F)F;PHRBGVWQWIJENY-UHFFFAOYSA-N;136.1;0.68;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda_N0";;;;;;;1.17;;-1.13;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM430380;MM430380;C=CC1(CCC#CC)CO1;UDWHYQWVPHRRMJ-UHFFFAOYSA-N;136.19;1.74;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4_SNa";;;;;;;2.2;;0.34;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM430381;MM430381;COC1(CC2CC2F)CC1;PEPNNLKVUBWVRQ-UHFFFAOYSA-N;144.19;1.91;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNa_SNa";;;;;;;0.87;;-2.22;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM430382;MM430382;C#CCc1nc(CF)co1;LGRPEFAEQGTSTP-UHFFFAOYSA-N;139.13;1.32;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNa_SN0";;;;;;;1.17;;-1.18;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM430383;MM430383;C#CC(C=CCC=O)=CF;ZMVSHSAWYYJBBD-UHFFFAOYSA-N;138.14;1.62;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_Na";;;;;;;1.64;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM430384;MM430384;C=NN1CC1C(C=O)=CC;BNTWELKLWLRSSW-UHFFFAOYSA-N;138.17;0.43;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_SP2";;;;;;;-0.24;;-3.24;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM430385;MM430385;CC#CCCC1(C=O)CO1;QZRNKWPWSVROJX-UHFFFAOYSA-N;138.17;0.76;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4_SP1";;;;;;;1.37;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM430386;MM430386;CC#CC12CC1C(=N)NN2;NUFZMWWYGJTLEW-UHFFFAOYSA-N;135.17;-0.15;;;;;DOPC;MDCG;27;1;"MARTINI bead: SNd_SP3";;;;;;;-1.1;;-6.61;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM430387;MM430387;C=NN1CC1C(C#N)=CC;OWLKBNRQOLFOMC-UHFFFAOYSA-N;135.17;0.76;;;;;DOPC;MDCG;27;0;"MARTINI bead: N0_SP2";;;;;;;0.06;;-2.21;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM430388;MM430388;CCC1(NC2CC2C)CC1;PIJLFKQPCQQSIV-UHFFFAOYSA-N;139.24;1.93;;;;;DOPC;MDCG;27;1;"MARTINI bead: SC3_SNd";;;;;;;2.57;;-1.51;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM430389;MM430389;C#CC(C=CNC=N)=CC;PCJCJHLNQQBAJT-UHFFFAOYSA-N;134.18;1.28;;;;;DOPC;MDCG;27;1;"MARTINI bead: C4_P2";;;;;;;1.09;;-3.98;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM430390;MM430390;C=C(F)CC(=NN)OC;UFFRQDQNAYXOET-UHFFFAOYSA-N;132.14;0.78;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_C5";;;;;;;0.81;;-0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM430391;MM430391;CC#CCCC1(C#N)CO1;CKYPJSFJQMZQFE-UHFFFAOYSA-N;135.17;1.08;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4_SNa";;;;;;;2.2;;0.34;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM430392;MM430392;CC#CC12CC1C(=O)NN2;CGDSVNBUGHBPET-UHFFFAOYSA-N;136.15;-0.6;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNd_SP3";;;;;;;-1.1;;-3.93;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM430393;MM430393;C=NN1CC1C(C=O)=CN;ATSJPRYKCLGSBU-UHFFFAOYSA-N;139.16;-0.67;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_SP2";;;;;;;-1.34;;-4.31;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM430394;MM430394;CC1CC1NC1(CO)CC1;RUWOOLBWIRGHHC-UHFFFAOYSA-N;141.21;0.51;;;;;DOPC;MDCG;27;1;"MARTINI bead: SNd_SNda";;;;;;;0.87;;-3.96;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM430395;MM430395;C#CC(C=CNC=O)=CC;RTAPLAUTTIHRHY-UHFFFAOYSA-N;135.17;0.83;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4_P3";;;;;;;0.23;;-1.03;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM430396;MM430396;C#CCc1nc(OC)co1;VQNQQFLQUALYQT-UHFFFAOYSA-N;137.14;0.86;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNa_SN0";;;;;;;1.17;;-1.18;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM430397;MM430397;C=C1COC2(C#CC)CC12;NVBLZFNTCIUGDW-UHFFFAOYSA-N;134.18;1.35;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNa_SN0";;;;;;;1.17;;-1.18;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM430398;MM430398;C#CC1(CCC#CC)CC1;ZHXFWRCQECBPBG-UHFFFAOYSA-N;132.21;2.2;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4_SC5";;;;;;;2.97;;0.45;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM430399;MM430399;C=NN1CC1C(C#N)=CN;CJPAHPKLOKUTMW-UHFFFAOYSA-N;136.16;-0.35;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_SP2";;;;;;;-1.06;;-3.82;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM430400;MM430400;C#CC(C=CNC=N)=CF;AKNPMCKQCAPFND-UHFFFAOYSA-N;138.15;1.18;;;;;DOPC;MDCG;27;1;"MARTINI bead: C5_P2";;;;;;;0.54;;-4.65;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM430401;MM430401;C#CCc1nc(CC)no1;RUMBVSABOLSECU-UHFFFAOYSA-N;136.15;0.81;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNa_SNa";;;;;;;0.87;;-2.22;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM430402;MM430402;CC1CC1NC1(CF)CC1;YCJUPXWRUMPPKX-UHFFFAOYSA-N;143.21;1.49;;;;;DOPC;MDCG;27;1;"MARTINI bead: SNd_SC5";;;;;;;1.64;;-0.99;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM430403;MM430403;CC#CC12CC1C(=O)CO2;ZBBMAGWRRPTXDL-UHFFFAOYSA-N;136.15;0.37;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNa_SP1";;;;;;;0.04;;-2.54;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM430404;MM430404;C#CC1(OCC#CC)CC1;YVZWOIBKNYXKLH-UHFFFAOYSA-N;134.18;1.19;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4_SP1";;;;;;;1.37;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM430405;MM430405;C=NN1CC1C(C#N)=CF;PVTDPPZFUDOEGH-UHFFFAOYSA-N;139.13;0.66;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_SP2";;;;;;;-0.24;;-3.24;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM430406;MM430406;C#CC(C=COC=C)=CC;MLEPKQOWHDZDHM-UHFFFAOYSA-N;134.18;2.24;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4_Na";;;;;;;2.2;;0.34;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM430407;MM430407;C#CCc1nc(CO)no1;LYKFZFMQYXTHNI-UHFFFAOYSA-N;138.13;-0.26;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP1_SNa";;;;;;;0.04;;-2.54;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM430408;MM430408;CCC1(NC2CC2N)CC1;HLEZLUNCXIFSBG-UHFFFAOYSA-N;140.23;0.62;;;;;DOPC;MDCG;27;1;"MARTINI bead: SC3_SP3";;;;;;;0.6;;-3.03;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM430409;MM430409;C#CC1(CCC#CC)CN1;QTIKPIZSPBMHBI-UHFFFAOYSA-N;133.19;0.77;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4_SP1";;;;;;;1.37;;-0.05;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM430410;MM430410;CC#CC12CC1C(=N)NO2;HOBHCLIDSDGGDN-UHFFFAOYSA-N;136.15;0.28;;;;;DOPC;MDCG;27;1;"MARTINI bead: SNa_SP2";;;;;;;-0.24;;-4.37;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM430411;MM430411;NCC1(NC2CC2N)CC1;CJDBNFKJPSSFJY-UHFFFAOYSA-N;141.22;-0.83;;;;;DOPC;MDCG;27;1;"MARTINI bead: SNd_SP3";;;;;;;-1.1;;-6.22;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM430412;MM430412;C#CC(C=COC=O)=CC;PKFVJMTZZSQHPY-UHFFFAOYSA-N;136.15;1.25;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4_P1";;;;;;;1.37;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM430413;MM430413;C#CCc1nc(CF)no1;DAXBLVXZGHHLOK-UHFFFAOYSA-N;140.12;0.71;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNa_SNa";;;;;;;0.87;;-2.22;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM430414;MM430414;C=CC(=NN)C1CN1N=C;OYZWPHQYJHACLP-UHFFFAOYSA-N;138.17;-0.21;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nd_SP2";;;;;;;-0.24;;-3.16;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM430415;MM430415;O=C(O)C#CCN1CC1;BCAMFYGOPALHPZ-UHFFFAOYSA-N;125.13;-0.61;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_SP1";;;;;;;-0.79;;-8.25;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM430416;MM430416;C#CCc1nc(NC)no1;CQTAKDRNPFICCU-UHFFFAOYSA-N;137.14;0.29;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNda_SNa";;;;;;;0.87;;-1.99;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM430417;MM430417;NC1CC1NC1(CO)CC1;FHQVQJSQIFDJDV-UHFFFAOYSA-N;142.2;-0.8;;;;;DOPC;MDCG;27;1;"MARTINI bead: SP3_SNda";;;;;;;-1.1;;-5.89;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM430418;MM430418;C#CC1(CCC#CC)CO1;VVZURFNUOKNONO-UHFFFAOYSA-N;134.18;1.19;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4_SNa";;;;;;;2.2;;0.34;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM430419;MM430419;C#CC(C=COC=O)=CF;DWQYJFBZCOZBCC-UHFFFAOYSA-N;140.11;1.16;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_P1";;;;;;;0.81;;-0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM430420;MM430420;C=CC(=NO)C1CN1N=C;LIOONFOSHIAQGW-UHFFFAOYSA-N;139.16;0.3;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda_SP2";;;;;;;-0.24;;-3.31;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM430421;MM430421;C=C1CCC2(C#CC)OC12;NEJFUCJUSUSYED-UHFFFAOYSA-N;134.18;1.5;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC5_SC4";;;;;;;2.97;;0.45;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM430422;MM430422;NC1CC1NC1(CF)CC1;NWJWXSRSOXPALD-UHFFFAOYSA-N;144.19;0.18;;;;;DOPC;MDCG;27;1;"MARTINI bead: SP3_SC5";;;;;;;-0.33;;-3.8;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM430423;MM430423;C#CC1(C=C)C(C)C1NC;CWRMHLZWWWEUNB-UHFFFAOYSA-N;135.21;1.03;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1_SC5";;;;;;;0.81;;-2.86;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM430424;MM430424;N=c1nn[nH]nc1F;QTUKBMKLDCTAAO-UHFFFAOYSA-N;115.07;-1.18;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP2_SP2";;;;;;;-1.34;;-9.63;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM430425;MM430425;C#CCc1nc(OC)no1;JHSYWALAWUBTQT-UHFFFAOYSA-N;138.13;0.25;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNa_SNa";;;;;;;0.87;;-2.22;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM430426;MM430426;C#CC(C=CCC=C)=NN;PEYPDJQZQAXHMP-UHFFFAOYSA-N;134.18;1.07;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_C2";;;;;;;2;;0.3;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM430427;MM430427;CC#CC12CCC(=O)C1O2;VLTHSSJENVLQPM-UHFFFAOYSA-N;136.15;0.51;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC5_SNa";;;;;;;1.64;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM430428;MM430428;CCC1(NC2CC2O)CC1;DGSLTYZQXDJVDR-UHFFFAOYSA-N;141.21;0.65;;;;;DOPC;MDCG;27;1;"MARTINI bead: SC3_SP2";;;;;;;1.46;;-1.97;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM430429;MM430429;O=c1nn[nH]c(=NO)o1;XAXSFIMJNPWVDK-UHFFFAOYSA-N;130.06;-1.95;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP3_SP3";;;;;;;-3.07;;-10.29;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM430430;MM430430;C#CC(C=CCC#N)=NO;AUBOEMRBOPKKQK-UHFFFAOYSA-N;134.14;0.92;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_N0";;;;;;;0.34;;-1.53;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM430431;MM430431;C#CC1(C=C)C(C)C1C#N;SNVYKRXWCVMCHS-UHFFFAOYSA-N;131.18;1.58;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_SC5";;;;;;;0.81;;-0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM430432;MM430432;C=CC1=CCC(CCC)=C1;UKLHPQOFEQBGMD-UHFFFAOYSA-N;134.22;3.23;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC1_SC4";;;;;;;4.24;;0.42;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM430433;MM430433;CC#CC12CCC(=N)N1C2;ABIDQFDXPAATGI-UHFFFAOYSA-N;134.18;0.84;;;;;DOPC;MDCG;27;1;"MARTINI bead: SN0_SNd";;;;;;;1.17;;-2.66;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM430434;MM430434;C=CC(=NC)N1CC1C=C;PEJHGDLIJFYVEQ-UHFFFAOYSA-N;136.2;1.07;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_SP1";;;;;;;0.04;;-5.05;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM430435;MM430435;NCC1(NC2CC2O)CC1;ZTULOLDCZJLEFY-UHFFFAOYSA-N;142.2;-0.8;;;;;DOPC;MDCG;27;1;"MARTINI bead: SNd_SP2";;;;;;;-0.24;;-5.27;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM430436;MM430436;C#CC(C=COC=C)=NN;WSAVVVOATHPUJX-UHFFFAOYSA-N;136.15;0.61;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nd_Na";;;;;;;0.87;;-1.88;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM430437;MM430437;C#CC1(C#C)C(C)C1CN;OKXYPYOPKMUDER-UHFFFAOYSA-N;133.19;0.46;;;;;DOPC;MDCG;27;1;"MARTINI bead: P2_SC5";;;;;;;0.54;;-3.8;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM430438;MM430438;C=CC1=CCC(CCN)=C1;NHDAEHAXPVEDBB-UHFFFAOYSA-N;135.21;1.78;;;;;DOPC;MDCG;27;1;"MARTINI bead: SNd_SC4";;;;;;;2.2;;-2.17;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM430439;MM430439;OCC1(NC2CC2O)CC1;ZDKRZUSBVNXTGF-UHFFFAOYSA-N;143.19;-0.77;;;;;DOPC;MDCG;27;1;"MARTINI bead: SNda_SP2";;;;;;;-0.24;;-4.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM430440;MM430440;CC#CC12CCC(=O)N1C2;IQMMCISSUQEPEX-UHFFFAOYSA-N;135.17;0.38;;;;;DOPC;MDCG;27;0;"MARTINI bead: SN0_SP2";;;;;;;0.06;;-2.21;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM430441;MM430441;C#CC(C=COC=C)=NO;GDNMNKWQVGERNU-UHFFFAOYSA-N;137.14;1.12;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda_Na";;;;;;;0.87;;-1.99;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM430442;MM430442;Cn1ncc(N)cc1=O;YIAQLMJPMMISNQ-UHFFFAOYSA-N;125.13;-0.64;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP2_SP1";;;;;;;-1.06;;-3.82;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM430443;MM430443;COC(=O)C(N=CN)=NN;CFRZZPJPDLBSFH-UHFFFAOYSA-N;144.13;-1.58;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_P2";;;;;;;-1.06;;-3.82;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM430444;MM430444;CCCC1=CC(C=O)=CC1;GNMSQQILVCTNJX-UHFFFAOYSA-N;136.19;2.24;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC1_SNa";;;;;;;2.91;;0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM430445;MM430445;C=CC1CN1C(C#N)=NC;XXAKXQXMTDBJIR-UHFFFAOYSA-N;135.17;0.41;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_SP1";;;;;;;-1.06;;-3.82;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM430446;MM430446;CCCC1CC1(CC)CC;JBTHRSIZPCLRHS-UHFFFAOYSA-N;140.27;3.61;;;;;DOPC;MDCG;27;0;"MARTINI bead: C3_SC1";;;;;;;4.61;;0.31;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM430447;MM430447;NCC1(NC2CC2F)CC1;LZZFDIFXCIMVFF-UHFFFAOYSA-N;144.19;0.18;;;;;DOPC;MDCG;27;1;"MARTINI bead: SNd_SP1";;;;;;;0.04;;-4.68;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM430448;MM430448;C=CCC12C=CC(=O)C1C2;BHZFKUMVWBBWKG-UHFFFAOYSA-N;134.18;1.71;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC3_SNa";;;;;;;2.57;;0.45;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM430449;MM430449;C#CC(C=NNC=O)=CC;QQYRUPZZSILJJE-UHFFFAOYSA-N;136.15;0.3;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4_P2";;;;;;;1.09;;-0.38;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM430450;MM430450;CCCC1=CC(C#N)=CC1;SUGNYGHQHJOHAA-UHFFFAOYSA-N;133.19;2.57;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC1_SN0";;;;;;;3.21;;0.46;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM430451;MM430451;C=CC(=NC)N1CC1C=O;OJPFFTHZMXNZRQ-UHFFFAOYSA-N;138.17;0.08;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_SP2";;;;;;;-0.24;;-4.6;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM430452;MM430452;NN=COC(C=NN)CF;VVQQFNYSHYVTJW-UHFFFAOYSA-N;148.14;-0.81;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_P2";;;;;;;-0.24;;-3.24;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM430453;MM430453;CCC1(OC2CC2C)CC1;UUMPKIVSUKBJRE-UHFFFAOYSA-N;140.23;2.35;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC3_SNa";;;;;;;2.57;;0.45;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM430454;MM430454;C#CC(C=NNC=O)=CF;NMJOVCWIBBISQP-UHFFFAOYSA-N;140.12;0.2;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_P2";;;;;;;0.54;;-1.09;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM430455;MM430455;C#CCC12C=CC(=C)C1C2;NGRZMXHSSAOKBN-UHFFFAOYSA-N;130.19;2.14;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC4_SC4";;;;;;;3.53;;0.53;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM430456;MM430456;C=CC1=CCC(CNC)=C1;SVKUWXVQJOVGBF-UHFFFAOYSA-N;135.21;1.65;;;;;DOPC;MDCG;27;1;"MARTINI bead: SNd_SC4";;;;;;;2.2;;-1.93;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM430457;MM430457;CC(=O)CC1CN1C=O;DUHDCQVDLSPFKD-UHFFFAOYSA-N;127.14;-0.19;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_SP2";;;;;;;-1.06;;-3.82;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM430458;MM430458;CC1CC1OC1(CN)CC1;GOKMSIXWQJACHW-UHFFFAOYSA-N;141.21;0.9;;;;;DOPC;MDCG;27;1;"MARTINI bead: SNa_SNd";;;;;;;0.87;;-4.01;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM430459;MM430459;CCC1(CC)CC1CCF;LDJPMIIJAQKNRT-UHFFFAOYSA-N;144.23;3.17;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC1_C5";;;;;;;3.68;;0.46;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM430460;MM430460;C#CCC12C=CC(=O)N1C2;GBDNJWFAVFZEEU-UHFFFAOYSA-N;133.15;0.16;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP2_SN0";;;;;;;0.06;;-2.21;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM430461;MM430461;CNCC1=CC(C=O)=CC1;JHOWIRRGVJACQG-UHFFFAOYSA-N;137.18;0.66;;;;;DOPC;MDCG;27;1;"MARTINI bead: SNd_SNa";;;;;;;0.87;;-4.29;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM430462;MM430462;C#CC(C=NOC=O)=CC;SINCWRCSBPELIY-UHFFFAOYSA-N;137.14;0.72;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4_P1";;;;;;;1.37;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM430463;MM430463;C=CC(=NO)N1CC1C#N;KDRKDIAWRIKDNF-UHFFFAOYSA-N;137.14;0.17;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_SP2";;;;;;;-1.06;;-3.82;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM430464;MM430464;CC1CC1OC1(CO)CC1;YAVOHXDIVLKVBK-UHFFFAOYSA-N;142.2;0.94;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC5_SP2";;;;;;;0.54;;-1.09;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM430465;MM430465;CCC1(CN)CC1CCN;YMGZCDWPQWKODH-UHFFFAOYSA-N;142.25;0.71;;;;;DOPC;MDCG;27;1;"MARTINI bead: SNd_Nd";;;;;;;0.87;;-5.07;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM430466;MM430466;CC#CC12CC1N(N)C=N2;NFNWAMSGSNTJPH-UHFFFAOYSA-N;135.17;-0.26;;;;;DOPC;MDCG;27;0;"MARTINI bead: SN0_SP2";;;;;;;0.06;;-2.21;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM430467;MM430467;CNCC1=CC(C#N)=CC1;RPJQXRWDMMGFEU-UHFFFAOYSA-N;134.18;0.99;;;;;DOPC;MDCG;27;1;"MARTINI bead: SNd_SN0";;;;;;;1.17;;-3.53;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM430468;MM430468;C#CCC=CC(C#C)=CC;YZBZRSMGQQRQPT-UHFFFAOYSA-N;130.19;2.15;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4_C5";;;;;;;2.97;;0.45;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM430469;MM430469;CN=C(C#N)N1CC1C#N;LTJKOUVPFQVKNC-UHFFFAOYSA-N;134.14;-0.25;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_SP2";;;;;;;-1.34;;-4.31;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM430470;MM430470;CC1CC1OC1(CF)CC1;CADOGQLKSMCAHQ-UHFFFAOYSA-N;144.19;1.91;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNa_SC5";;;;;;;1.64;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM430471;MM430471;CCC1(CO)CC1CCN;SIEBZLXPHPUIAQ-UHFFFAOYSA-N;143.23;0.74;;;;;DOPC;MDCG;27;1;"MARTINI bead: SNda_P1";;;;;;;0.04;;-5.5;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM430472;MM430472;Cn1nc(N)c(=NN)o1;XOJFAMYGKBWRNZ-UHFFFAOYSA-N;129.12;-1.63;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP2_SP3";;;;;;;-2.2;;-5.19;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM430473;MM430473;C=CC1=CCC(OCC)=C1;FQNLAIULCVGRIZ-UHFFFAOYSA-N;136.19;2.42;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC4_SC4";;;;;;;3.53;;0.53;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM430474;MM430474;C#CCC=CC(C#C)=CF;CSYRDNZYRHXQDZ-UHFFFAOYSA-N;134.15;2.05;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_C5";;;;;;;2.41;;0.64;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM430475;MM430475;N#CC1CN1C(C=O)=NO;FGWMAEGAVLIHTL-UHFFFAOYSA-N;139.11;-0.82;;;;;DOPC;MDCG;27;0;"MARTINI bead: P3_SP2";;;;;;;-2.2;;-5.19;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM430476;MM430476;CCC1(OC2CC2N)CC1;GKNNCSATMKJJHJ-UHFFFAOYSA-N;141.21;1.05;;;;;DOPC;MDCG;27;1;"MARTINI bead: SC3_SP2";;;;;;;1.46;;-1.87;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM430477;MM430477;CCCOC(=NN)OCC;IMGHQYAFRZKKJW-UHFFFAOYSA-N;146.19;0.68;;;;;DOPC;MDCG;27;0;"MARTINI bead: C3_P1";;;;;;;1.74;;0.29;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM430478;MM430478;C=C1C=CC2(C#CC)CC12;JUHQHAZDFDIWIZ-UHFFFAOYSA-N;130.19;2.14;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC4_SC4";;;;;;;3.53;;0.53;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM430479;MM430479;CCOC1=CC(C=O)=CC1;JOSNTUREZAPBNC-UHFFFAOYSA-N;138.17;1.44;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC4_SNa";;;;;;;2.2;;0.34;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM430480;MM430480;C#CCC=CC(C#C)=NN;UFAIEOSFEZCQRO-UHFFFAOYSA-N;132.17;0.51;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nd_C5";;;;;;;1.64;;0.02;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM430481;MM430481;C#CC(=CC)C1CC1C=C;OPFDYHXJLCZIBA-UHFFFAOYSA-N;132.21;2.39;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4_SC4";;;;;;;3.53;;0.53;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM430482;MM430482;NCC1(OC2CC2N)CC1;PRRAJNXRFNEAEV-UHFFFAOYSA-N;142.2;-0.41;;;;;DOPC;MDCG;27;1;"MARTINI bead: SP2_SP1";;;;;;;-1.06;;-6.12;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM430483;MM430483;CCOC(=NN)OCCF;BIJATYASCRDKHT-UHFFFAOYSA-N;150.15;0.24;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_C5";;;;;;;0.81;;-0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM430484;MM430484;CC#CC12C=CC(=O)C1C2;JSUPHEMLUDITTF-UHFFFAOYSA-N;132.16;1.15;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC4_SNa";;;;;;;2.2;;0.34;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM430485;MM430485;CCOC1=CC(C#N)=CC1;LYRXXUMJDZIZMI-UHFFFAOYSA-N;135.17;1.76;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC4_SN0";;;;;;;2.5;;0.44;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM430486;MM430486;C#CC(=CF)C1CC1C=C;BWAFSKAUCVNWKH-UHFFFAOYSA-N;136.17;2.3;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_SC4";;;;;;;2.97;;0.45;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM430487;MM430487;CC=CC=CC(=CC)CC;WHIVRGWJFKEZSN-UHFFFAOYSA-N;136.24;3.48;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1_C2";;;;;;;4.87;;0.53;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM430488;MM430488;NCCC1CC1(CN)CN;BMNADBMZHVFRPF-UHFFFAOYSA-N;143.23;-0.74;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1_SP2";;;;;;;-1.06;;-6.74;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM430489;MM430489;NC1CC1OC1(CO)CC1;POYSBVFQAGTQNM-UHFFFAOYSA-N;143.19;-0.37;;;;;DOPC;MDCG;27;1;"MARTINI bead: SP2_SNda";;;;;;;-0.24;;-5.15;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM430490;MM430490;C=Cc1c[nH]c(CCC)c1;KCJOTCVTCPVJFO-UHFFFAOYSA-N;135.21;2.61;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC4_SN0";;;;;;;2.5;;0.44;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM430491;MM430491;CC=C(C=CC=CF)CC;CNBJSKZVVNCCST-UHFFFAOYSA-N;140.2;3.38;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1_C4";;;;;;;4.24;;0.42;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM430492;MM430492;CN=c1[nH]c(=NN)nco1;VZCBEXHKAMDMAH-UHFFFAOYSA-N;141.13;-1.69;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP2_SP3";;;;;;;-2.2;;-5.19;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM430493;MM430493;C#CC(=CC)C1CC1C=O;HXAAVYSHRBQCFX-UHFFFAOYSA-N;134.18;1.4;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4_SNa";;;;;;;2.2;;0.34;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM430494;MM430494;NCC1(CO)CC1CCF;AREJXFFKDTXAGC-UHFFFAOYSA-N;147.19;0.3;;;;;DOPC;MDCG;27;1;"MARTINI bead: SP2_C4";;;;;;;1.09;;-2.46;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM430495;MM430495;NC1CC1OC1(CF)CC1;MQLZGIDVUHHMES-UHFFFAOYSA-N;145.18;0.6;;;;;DOPC;MDCG;27;1;"MARTINI bead: SP2_SC5";;;;;;;0.54;;-2.92;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM430496;MM430496;C=Cc1c[nH]c(CCN)c1;XFOFQDNAZQFTHA-UHFFFAOYSA-N;136.2;1.16;;;;;DOPC;MDCG;27;1;"MARTINI bead: SNd_SN0";;;;;;;1.17;;-3.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM430497;MM430497;N#Cc1nc(=O)n(O)[nH]1;NUDYYKNXQRFRCW-UHFFFAOYSA-N;126.08;-1.32;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP5_SP1";;;;;;;-1.94;;-9.09;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM430498;MM430498;CC=CC=CC(=CF)CC;SHJBDRJGXHZOSQ-UHFFFAOYSA-N;140.2;3.38;;;;;DOPC;MDCG;27;0;"MARTINI bead: C2_C2";;;;;;;4.78;;0.59;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM430499;MM430499;C#CC(=CC)C1CC1C#N;CGWYLOIAMWOKTB-UHFFFAOYSA-N;131.18;1.73;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4_SN0";;;;;;;2.5;;0.44;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM430500;MM430500;OCC1(CO)CC1CCF;AECFQWQOHRHWKW-UHFFFAOYSA-N;148.18;0.34;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP2_C4";;;;;;;1.09;;-0.38;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM430501;MM430501;CCC1(OC2CC2O)CC1;JBGLENICXTYJAV-UHFFFAOYSA-N;142.2;1.08;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC3_SP2";;;;;;;1.46;;-0.15;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM430502;MM430502;CCCc1cc(C#N)c[nH]1;FLGGWPDVTCDONB-UHFFFAOYSA-N;134.18;1.84;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC4_SN0";;;;;;;2.5;;0.44;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM430503;MM430503;CCC(C=CC=CF)=CF;LNXDVAQIOFENSG-UHFFFAOYSA-N;144.16;3.29;;;;;DOPC;MDCG;27;0;"MARTINI bead: C2_C4";;;;;;;4.16;;0.44;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM430504;MM430504;Cn1cc(F)c(=NN)o1;QOGNIRPQHXSPNS-UHFFFAOYSA-N;131.11;-0.47;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNa_SP2";;;;;;;-0.24;;-3.24;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM430505;MM430505;C#CC(=CF)C1CC1C#N;FWZVOWPPDAKQPN-UHFFFAOYSA-N;135.14;1.63;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_SN0";;;;;;;1.94;;0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM430506;MM430506;CCC1(CC)CC1CNC;CMSLJBTUOZJTNK-UHFFFAOYSA-N;141.26;2.03;;;;;DOPC;MDCG;27;1;"MARTINI bead: SC1_Nd";;;;;;;2.91;;-0.88;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM430507;MM430507;NCC1(OC2CC2O)CC1;QDOZMSYGVFQPDI-UHFFFAOYSA-N;143.19;-0.37;;;;;DOPC;MDCG;27;1;"MARTINI bead: SNd_SP2";;;;;;;-0.24;;-5.28;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM430508;MM430508;C=C(C)OC(CC)=NN;WGFGWCNPZLUNCY-UHFFFAOYSA-N;128.18;1.22;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nd_Na";;;;;;;0.87;;-1.88;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM430509;MM430509;CC=CC=CC(=CC)CN;KTBIAMQAPDLYSE-UHFFFAOYSA-N;137.23;2.02;;;;;DOPC;MDCG;27;1;"MARTINI bead: C2_Nd";;;;;;;2.83;;-0.21;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM430510;MM430510;C#CC(=NN)C1CC1C=C;KVYZSYRQICNPEL-UHFFFAOYSA-N;134.18;0.76;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nd_SC4";;;;;;;2.2;;0.32;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM430511;MM430511;NN=c1ncoc(=NN)[nH]1;PPDUOPGJKGGWGM-UHFFFAOYSA-N;142.12;-2.45;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP3_SP3";;;;;;;-3.07;;-6.15;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM430512;MM430512;CCC1(CO)CC1CNC;BEBHTHXHBYCUQI-UHFFFAOYSA-N;143.23;0.61;;;;;DOPC;MDCG;27;1;"MARTINI bead: SNda_Nd";;;;;;;0.87;;-4.76;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM430513;MM430513;OCC1(OC2CC2O)CC1;DOPPALSNDHVDFW-UHFFFAOYSA-N;144.17;-0.34;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNda_SP2";;;;;;;-0.24;;-3.31;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM430514;MM430514;COC(C=C(C)C)=NN;DYPUDJDIUKNGRF-UHFFFAOYSA-N;128.18;0.87;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_C4";;;;;;;1.37;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM430515;MM430515;CC=C(C=CC=CF)CN;CJDDSLFDNDJSSS-UHFFFAOYSA-N;141.19;1.93;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_C4";;;;;;;2.2;;-1.63;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM430516;MM430516;N#CC(=NO)C(F)=CF;ISJCGFPGBVKXRX-UHFFFAOYSA-N;132.07;1.12;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_C5";;;;;;;0.54;;-5.95;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM430517;MM430517;C#CC(=NO)C1CC1C#N;PIDNXRGFCJWDSZ-UHFFFAOYSA-N;134.14;0.61;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda_SN0";;;;;;;1.17;;-1.13;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM430518;MM430518;NCC1(OC2CC2F)CC1;OERKXGMNSLUJQG-UHFFFAOYSA-N;145.18;0.6;;;;;DOPC;MDCG;27;1;"MARTINI bead: SNd_SP1";;;;;;;0.04;;-4.76;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM430519;MM430519;CNCC1CC1(CN)CN;SMEXFNYDWGQINH-UHFFFAOYSA-N;143.23;-0.87;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1_SP2";;;;;;;-1.06;;-7;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM430520;MM430520;COC(C=C(C)F)=NN;MPWLORQAXVXSQZ-UHFFFAOYSA-N;132.14;0.78;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_C5";;;;;;;0.81;;-0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM430521;MM430521;Cn1nc(O)c(F)n1;JLRXXQVNSCNFCH-UHFFFAOYSA-N;117.08;-0.34;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP1_SNda";;;;;;;0.04;;-7.79;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM430522;MM430522;NCC(C=CC=CF)=CF;IIDDHXGKGXYNED-UHFFFAOYSA-N;145.15;1.84;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1_C4";;;;;;;1.37;;-2.07;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM430523;MM430523;C#CC(=CC)C1NC1C=C;QQHMECDIYFYDOS-UHFFFAOYSA-N;133.19;1.09;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4_SP1";;;;;;;1.37;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM430524;MM430524;OCC1(OC2CC2F)CC1;LLURXTLAAIPBDO-UHFFFAOYSA-N;146.16;0.64;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNda_SP1";;;;;;;0.04;;-2.73;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM430525;MM430525;CCC1(CC)CC1COC;UWEMRZANDGIFNG-UHFFFAOYSA-N;142.24;2.46;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC1_P1";;;;;;;2.08;;0.48;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM430526;MM430526;CN=c1nnoc(=NC)[nH]1;IIYPRYZAVXOJEL-UHFFFAOYSA-N;141.13;-1.54;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP2_SP2";;;;;;;-1.34;;-4.31;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM430527;MM430527;C=Cc1coc(CCC)c1;CZOHPOWXDYWLQZ-UHFFFAOYSA-N;136.19;2.88;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC3_SC5";;;;;;;3.34;;0.48;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM430528;MM430528;CC1=C(C#N)CNC1C=O;SSJOCKPJUGSSQJ-UHFFFAOYSA-N;136.15;;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP1_SP2";;;;;;;-1.06;;-3.82;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM430529;MM430529;C#CC(=CF)C1NC1C=C;MASMXMAAJIUNJC-UHFFFAOYSA-N;137.16;1;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_SP1";;;;;;;0.81;;-0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM430530;MM430530;FCC1(OC2CC2F)CC1;KEZNKWKPPJXVDN-UHFFFAOYSA-N;148.15;1.62;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC5_SP1";;;;;;;0.81;;-0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM430531;MM430531;CCC1(CO)CC1COC;NIQNEFAXSIAHER-UHFFFAOYSA-N;144.21;1.04;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNda_Na";;;;;;;0.87;;-1.99;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM430532;MM430532;CN=c1[nH]c(=NN)nno1;LRUGTRGIUFNTSQ-UHFFFAOYSA-N;142.12;-2.3;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP2_SP3";;;;;;;-2.2;;-5.19;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM430533;MM430533;CCCc1cc(C=O)co1;GROBGSJZQYSMQM-UHFFFAOYSA-N;138.17;2.04;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC3_SNa";;;;;;;2.57;;0.45;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM430534;MM430534;C#CC(C=O)N1CC1C=C;XNSRCTTVTOIPEP-UHFFFAOYSA-N;135.17;0.06;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP1_Na";;;;;;;0.04;;-2.54;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM430535;MM430535;O=CC1=NCC(=CF)N1;ZDGHLXXBAMSNHC-UHFFFAOYSA-N;128.11;;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNda_SP2";;;;;;;-0.24;;-3.31;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM430536;MM430536;COC1(OC2CC2C)CC1;BVINUIHWEVQKMK-UHFFFAOYSA-N;142.2;1.55;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP1_SC5";;;;;;;0.81;;-0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM430537;MM430537;CCCC1CC1(CC)NC;DEOFFGCWWFVLPV-UHFFFAOYSA-N;141.26;2.17;;;;;DOPC;MDCG;27;1;"MARTINI bead: C3_SNd";;;;;;;2.57;;-1.73;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM430538;MM430538;CN=c1nnoc(=NN)[nH]1;YUQIXGUHDLOMNA-UHFFFAOYSA-N;142.12;-2.3;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP2_SP3";;;;;;;-2.2;;-5.19;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM430539;MM430539;CCCc1cc(C#N)co1;CGJZYDGCMVESMX-UHFFFAOYSA-N;135.17;2.1;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC3_SN0";;;;;;;2.87;;0.37;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM430540;MM430540;OCC(C=CC=CF)=CF;DUHVIDCIHILLQS-UHFFFAOYSA-N;146.14;1.87;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda_C4";;;;;;;2.2;;0.49;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM430541;MM430541;C#CC(=CF)C1NC1C#N;XJBACJQEUSNPGU-UHFFFAOYSA-N;136.13;0.34;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_SP2";;;;;;;0.54;;-1.09;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM430542;MM430542;COC1(OC2CC2N)CC1;RVKFGPWPAHIPER-UHFFFAOYSA-N;143.19;0.24;;;;;DOPC;MDCG;27;1;"MARTINI bead: SNa_SP2";;;;;;;-0.24;;-5.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM430543;MM430543;CCC1(NC)CC1CCN;GEGHVFNUOLSLAI-UHFFFAOYSA-N;142.25;0.72;;;;;DOPC;MDCG;27;1;"MARTINI bead: SNd_P1";;;;;;;0.04;;-5.83;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM430544;MM430544;NN=c1nnoc(=NN)[nH]1;PGAWVFICMGNTPL-UHFFFAOYSA-N;143.11;-3.05;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP3_SP3";;;;;;;-3.07;;-6.15;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM430545;MM430545;CC=C(C=CC=CF)CF;DWLKBQLZRADCCK-UHFFFAOYSA-N;144.16;2.94;;;;;DOPC;MDCG;27;0;"MARTINI bead: C3_C4";;;;;;;3.9;;0.47;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM430546;MM430546;C=Cc1coc(NCC)c1;VZOBPGDOAZIXGI-UHFFFAOYSA-N;137.18;2.35;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC5_SC5";;;;;;;2.41;;0.64;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM430547;MM430547;C#CC(=CC)C1OC1C=O;LDONIUATSUJDAO-UHFFFAOYSA-N;136.15;0.53;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4_SP2";;;;;;;1.09;;-0.38;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM430548;MM430548;COC1(OC2CC2O)CC1;KHWMQEBIFBGULT-UHFFFAOYSA-N;144.17;0.27;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNa_SP2";;;;;;;-0.24;;-3.24;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM430549;MM430549;CCC1(NC)CC1CCO;JOFMEAINTYQZSP-UHFFFAOYSA-N;143.23;0.76;;;;;DOPC;MDCG;27;1;"MARTINI bead: SNd_P1";;;;;;;0.04;;-5.35;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM430550;MM430550;CC=CC=CC(=CF)CF;RWJSSUYWMIQACM-UHFFFAOYSA-N;144.16;2.94;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1_C5";;;;;;;3.68;;0.46;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM430551;MM430551;CCNc1cc(C=O)co1;QBFFBXLPQFGZDJ-UHFFFAOYSA-N;139.15;1.52;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC5_SNa";;;;;;;1.64;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM430552;MM430552;N#CC(C#N)C(CF)=NO;WBLGQFFRTNLQCJ-UHFFFAOYSA-N;141.11;0.45;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_Na";;;;;;;-0.24;;-8.2;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM430553;MM430553;C#CC(=CC)C1CN1C=N;MBGLLHOBMJXWPU-UHFFFAOYSA-N;134.18;0.86;;;;;DOPC;MDCG;27;1;"MARTINI bead: C4_SP2";;;;;;;1.09;;-2.67;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM430554;MM430554;COC1(OC2CC2F)CC1;VFLAOVQFDOSTLO-UHFFFAOYSA-N;146.16;1.25;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNa_SP1";;;;;;;0.04;;-2.54;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM430555;MM430555;CNC1(CO)CC1CCO;VGXKKRBQQNQOHS-UHFFFAOYSA-N;145.2;-0.66;;;;;DOPC;MDCG;27;1;"MARTINI bead: SP1_P1";;;;;;;-0.79;;-5.11;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM430556;MM430556;CC=C(C=CC=NN)CC;YPBIPRVZNUVYHQ-UHFFFAOYSA-N;138.21;1.84;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1_Nd";;;;;;;2.91;;0.64;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM430557;MM430557;CCNc1cc(C#N)co1;CBIKAIQTCNDFQQ-UHFFFAOYSA-N;136.15;1.58;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC5_SN0";;;;;;;1.94;;0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM430558;MM430558;CC=Nn1onc(O)c1=O;QZRPGJROGWZZSY-UHFFFAOYSA-N;143.1;-0.6;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP1_SP1";;;;;;;-0.79;;-8.26;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM430559;MM430559;CC1CC1CC1(CN)CN1;QJNZDNJXWLHIRX-UHFFFAOYSA-N;140.23;0.33;;;;;DOPC;MDCG;27;1;"MARTINI bead: SC5_SP2";;;;;;;0.54;;-3.07;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM430560;MM430560;CNC1(CO)CC1CCF;JVAKLUYVOPWWRQ-UHFFFAOYSA-N;147.19;0.32;;;;;DOPC;MDCG;27;1;"MARTINI bead: SP1_C5";;;;;;;0.81;;-2.76;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM430561;MM430561;C#CC(=CF)C1CN1C=N;SISYQWZSRWVERB-UHFFFAOYSA-N;138.15;0.76;;;;;DOPC;MDCG;27;1;"MARTINI bead: C5_SP2";;;;;;;0.54;;-3.36;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM430562;MM430562;CCC(C=CC=NN)=CF;KIEZIDTXJPRHND-UHFFFAOYSA-N;142.18;1.75;;;;;DOPC;MDCG;27;0;"MARTINI bead: C2_Nd";;;;;;;2.83;;0.62;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM430563;MM430563;C=Cc1cc(CCC)on1;KBIGYXVXRKISGZ-UHFFFAOYSA-N;137.18;2.27;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC5_SNa";;;;;;;1.64;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM430564;MM430564;NN=c1cc[nH]c(=NN)o1;NDBKCUCYICQWFX-UHFFFAOYSA-N;141.13;-1.84;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP2_SP1";;;;;;;-1.06;;-3.82;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM430565;MM430565;C#CC(=CC)C1CN1C=O;JQVPUINTNDCYCJ-UHFFFAOYSA-N;135.17;0.41;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4_SP2";;;;;;;1.09;;-0.38;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM430566;MM430566;CC1CC1CC1(CF)CN1;JREFBBYOQBSTAN-UHFFFAOYSA-N;143.21;1.34;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC5_SP1";;;;;;;0.81;;-0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM430567;MM430567;CCC1(NC)CC1CNC;FZTASYDHQLKBBW-UHFFFAOYSA-N;142.25;0.59;;;;;DOPC;MDCG;27;1;"MARTINI bead: SNd_P1";;;;;;;0.04;;-5.64;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM430568;MM430568;CC=C(C=CC=NO)CN;QPLFFIOBYADFCH-UHFFFAOYSA-N;140.19;0.91;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_Nda";;;;;;;0.87;;-4.09;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM430569;MM430569;NN=c1[nH]ccc(=NO)o1;YLQPSZJXYOWSBA-UHFFFAOYSA-N;142.12;-1.33;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP1_SP2";;;;;;;-1.06;;-3.82;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM430570;MM430570;CCCc1cc(C=O)no1;JZCCPNPPRGRWHS-UHFFFAOYSA-N;139.15;1.44;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC5_SNa";;;;;;;1.64;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM430571;MM430571;CCCNN=c1occo1;LCGDZCYCAKCXFF-UHFFFAOYSA-N;142.16;0.69;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nd_SP2";;;;;;;-0.24;;-3.16;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM430572;MM430572;CCC1(CC2CC2N)CN1;UTZHOJPFDDZRLS-UHFFFAOYSA-N;140.23;0.48;;;;;DOPC;MDCG;27;1;"MARTINI bead: SNd_SNd";;;;;;;0.87;;-4.77;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM430573;MM430573;CNCC1CC1(CN)NC;LOLOWIUHBTUXRP-UHFFFAOYSA-N;143.23;-0.86;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1_SP2";;;;;;;-1.06;;-6.67;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM430574;MM430574;C#CC(=CF)C1CN1C=O;VDEVJSQJBSNUPS-UHFFFAOYSA-N;139.13;0.31;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_SP2";;;;;;;0.54;;-1.09;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM430575;MM430575;ON=c1cc(F)[nH]n1O;XETQJWDDSIGLEA-UHFFFAOYSA-N;133.08;-0.52;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP2_SNda";;;;;;;-0.24;;-8.18;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM430576;MM430576;CCCc1cc(C#N)no1;GPNSWFBOWDRGGQ-UHFFFAOYSA-N;136.15;1.5;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC5_SNa";;;;;;;1.64;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM430577;MM430577;CCC1(NC)CC1COC;GAEDGOOGKHXOFD-UHFFFAOYSA-N;143.23;1.02;;;;;DOPC;MDCG;27;1;"MARTINI bead: SNd_P1";;;;;;;0.04;;-5.42;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM430578;MM430578;CC=C(C=CC=NO)CO;WGUBEAVITHPILR-UHFFFAOYSA-N;141.17;0.94;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda_Nda";;;;;;;0.87;;-2.07;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM430579;MM430579;C#CC(=NN)C1CN1C=N;YSEPOGRQNPLOBE-UHFFFAOYSA-N;136.16;-0.77;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1_SP2";;;;;;;-1.06;;-5.67;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM430580;MM430580;NCC1(CC2CC2N)CN1;ZWCNFCWELHVTNV-UHFFFAOYSA-N;141.22;-0.98;;;;;DOPC;MDCG;27;1;"MARTINI bead: SP2_SNd";;;;;;;-0.24;;-5.88;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM430581;MM430581;O=CC#CC=C(F)C(=O)O;ZALBSULHUUMISZ-UHFFFAOYSA-N;142.09;0.13;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_C5";;;;;;;0.81;;-5.56;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM430582;MM430582;CNC1(CN)CC1COC;YTQJTSRNXKDVHK-UHFFFAOYSA-N;144.22;-0.43;;;;;DOPC;MDCG;27;1;"MARTINI bead: SP2_P1";;;;;;;-1.06;;-6.23;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM430583;MM430583;NN(C=NO)C(=O)C(=O)O;UVGSFGUDDVKOHX-UHFFFAOYSA-N;147.09;-1.81;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_P2";;;;;;;-1.06;;-8.8;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM430584;MM430584;C#CC(=NN)C1CN1C=O;UOOAYNYBDWULHH-UHFFFAOYSA-N;137.14;-1.23;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_SP2";;;;;;;-1.06;;-3.82;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM430585;MM430585;CC=C(C=CC=NN)CF;DSUHFCIRHLDKSZ-UHFFFAOYSA-N;142.18;1.4;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4_Nd";;;;;;;2.2;;0.32;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM430586;MM430586;NC1CC1CC1(CO)CN1;YVZGWYCVTMVNKQ-UHFFFAOYSA-N;142.2;-0.94;;;;;DOPC;MDCG;27;1;"MARTINI bead: SNd_SP2";;;;;;;-0.24;;-5.79;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM430587;MM430587;CC(C(=O)O)C(C#N)=CN;PNHNSXBJQWSZMC-UHFFFAOYSA-N;140.14;0.07;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda_P1";;;;;;;0.04;;-7.8;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM430588;MM430588;CCNc1nc(C#N)c[nH]1;HJTGPQWSNTWPOR-UHFFFAOYSA-N;136.16;0.71;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNd_SNda";;;;;;;0.87;;-1.92;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM430589;MM430589;NC1CC1CC1(CF)CN1;PXCMUXYNKSOWRI-UHFFFAOYSA-N;144.19;0.04;;;;;DOPC;MDCG;27;1;"MARTINI bead: SNd_SP1";;;;;;;0.04;;-5.27;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM430590;MM430590;C#CC(=CC)C1CN1N=C;XNMXRXRUFRLNKX-UHFFFAOYSA-N;134.18;0.87;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4_SP2";;;;;;;1.09;;-0.38;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM430591;MM430591;CCC1(OC)CC1COC;NWEGRSMUJJIJQB-UHFFFAOYSA-N;144.21;1.45;;;;;DOPC;MDCG;27;0;"MARTINI bead: SN0_P1";;;;;;;0.34;;-1.53;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM430592;MM430592;CC=C(C=CC=NO)CF;OGNQYVOBVGWCHC-UHFFFAOYSA-N;143.16;1.92;;;;;DOPC;MDCG;27;0;"MARTINI bead: C3_P1";;;;;;;1.74;;0.29;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM430593;MM430593;N#Cc1onc(F)c1O;IKYRADHILLZVNR-UHFFFAOYSA-N;128.06;0.39;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNda_SN0";;;;;;;1.17;;-6.3;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM430594;MM430594;NCC1(CC2CC2O)CN1;RRJMCGZENFUGBI-UHFFFAOYSA-N;142.2;-0.94;;;;;DOPC;MDCG;27;1;"MARTINI bead: SP2_SNda";;;;;;;-0.24;;-5.3;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM430595;MM430595;CCNC1CC1(CC)CC;MFCAIUAYDBXOEE-UHFFFAOYSA-N;141.26;2.17;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_SC1";;;;;;;2.91;;-0.51;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM430596;MM430596;CCNc1nc(C#N)n[nH]1;XOADQQPWOFZRQZ-UHFFFAOYSA-N;137.15;0.11;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNda_SP1";;;;;;;0.04;;-2.73;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM430597;MM430597;C#CC(=CF)C1CN1N=C;WFLBWOUWPLAIFT-UHFFFAOYSA-N;138.15;0.77;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_SP2";;;;;;;0.54;;-1.09;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM430598;MM430598;CC=CC=CC(CC)=NN;ICMRWGQGZGSKGW-UHFFFAOYSA-N;138.21;1.84;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_C2";;;;;;;3.6;;0.34;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM430599;MM430599;N#CC(=NO)C(O)C=O;MEKXTHGDLBBIKN-UHFFFAOYSA-N;128.09;-1.1;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_P2";;;;;;;-1.34;;-9.25;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM430600;MM430600;CC(C)=NN=C(C)C=NN;VUBFIYVJIPDBMC-UHFFFAOYSA-N;140.19;0.79;;;;;DOPC;MDCG;27;0;"MARTINI bead: N0_Nd";;;;;;;1.17;;-1.04;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM430601;MM430601;CCNC1CC1(CC)CN;MOZCDFDXHFINIZ-UHFFFAOYSA-N;142.25;0.72;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_SNd";;;;;;;0.87;;-4.7;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM430602;MM430602;C=Cc1coc(CCC)n1;JCTNEZHFURLCIF-UHFFFAOYSA-N;137.18;2.27;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC5_SNa";;;;;;;1.64;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM430603;MM430603;C#CC(=NN)C1CN1N=C;CKKYKHPFFCBTGP-UHFFFAOYSA-N;136.16;-0.77;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_SP2";;;;;;;-1.06;;-3.82;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM430604;MM430604;CCC(C=CC=CF)=NN;MCTQFENXOMVFBD-UHFFFAOYSA-N;142.18;1.75;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nd_C4";;;;;;;2.2;;0.32;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM430605;MM430605;CCn1nc(O)c(F)n1;ZYJSDUWYOVAQCT-UHFFFAOYSA-N;131.11;0.14;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNa_SNda";;;;;;;0.87;;-7.21;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM430606;MM430606;NCC1(CC2CC2F)CN1;BORUEJKEECVQIL-UHFFFAOYSA-N;144.19;0.04;;;;;DOPC;MDCG;27;1;"MARTINI bead: SP2_SNa";;;;;;;-0.24;;-5.23;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM430607;MM430607;CCNC1CC1(CN)CO;QRGXVBFMPWSPGH-UHFFFAOYSA-N;144.22;-0.69;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_SP2";;;;;;;-0.24;;-5.28;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM430608;MM430608;CCCc1nc(C=O)co1;HNBDHXJKPQAAAE-UHFFFAOYSA-N;139.15;1.44;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC5_SP1";;;;;;;0.81;;-0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM430609;MM430609;C#CC(F)CON=C(C)C;JFZVYIZZMPNJHW-UHFFFAOYSA-N;143.16;1.37;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_C5";;;;;;;1.64;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM430610;MM430610;C#CCNC=NN=CCC;KOKRLPYWWGLKID-UHFFFAOYSA-N;137.19;0.63;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4_P2";;;;;;;1.09;;-0.38;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM430611;MM430611;C#CCn1nc(O)c(F)n1;UZXALVQZBYMXDJ-UHFFFAOYSA-N;141.11;-0.24;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNa_SNda";;;;;;;0.87;;-7.21;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM430612;MM430612;CCC1(CC2CC2C)CO1;DKJHYHSHLRRLKP-UHFFFAOYSA-N;140.23;2.21;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNa_SC5";;;;;;;1.64;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM430613;MM430613;CCNC1CC1(CC)NC;VIZFHBFAQWIXQU-UHFFFAOYSA-N;142.25;0.74;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_SNd";;;;;;;0.87;;-4.39;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM430614;MM430614;CCCc1nc(C#N)co1;CRJQNFHYXCSHEW-UHFFFAOYSA-N;136.15;1.5;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC5_SNa";;;;;;;1.64;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM430615;MM430615;C#CC(=NO)N1CC1C=C;FVFHVDJCEXUOGT-UHFFFAOYSA-N;136.15;0.28;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_SP1";;;;;;;-1.06;;-3.82;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM430616;MM430616;CCC(C=CC=CF)=NO;HHYQBPDMUZZRMX-UHFFFAOYSA-N;143.16;2.27;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda_C4";;;;;;;2.2;;0.49;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM430617;MM430617;CCNC1CC1(CN)NC;SUHOQXZCMVOVJS-UHFFFAOYSA-N;143.23;-0.71;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_SP2";;;;;;;-0.24;;-5.14;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM430618;MM430618;Cn1nc(O)oc(=O)c1=N;DXUXWXCZHWUHRE-UHFFFAOYSA-N;143.1;-1.44;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP3_SP3";;;;;;;-3.07;;-10.24;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM430619;MM430619;CC1CC1CC1(CN)CO1;IIPAPKBKKLRHAG-UHFFFAOYSA-N;141.21;0.76;;;;;DOPC;MDCG;27;1;"MARTINI bead: SC5_SP2";;;;;;;0.54;;-3.13;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM430620;MM430620;C=Cc1noc(CCC)n1;AKXYJLPPZGCYGN-UHFFFAOYSA-N;138.17;1.67;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNa_SNa";;;;;;;0.87;;-2.22;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM430621;MM430621;C#CC(=NC)N1CC1C#N;GGMCDCOKKOXIFZ-UHFFFAOYSA-N;133.15;-0.14;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_SP2";;;;;;;-1.06;;-3.82;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM430622;MM430622;NCC(C=CC=CF)=NO;DIYHVDRKAIRDNW-UHFFFAOYSA-N;144.15;0.81;;;;;DOPC;MDCG;27;1;"MARTINI bead: P3_C4";;;;;;;0.23;;-3.56;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM430623;MM430623;Nn1c(O)nc(F)cc1=O;PFANDVZVUANIGO-UHFFFAOYSA-N;145.09;-1.2;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP3_SNa";;;;;;;-1.1;;-8.59;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM430624;MM430624;CCOC1CC1(CC)CC;DCJVESRUJXKUCK-UHFFFAOYSA-N;142.24;2.6;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_SC1";;;;;;;2.91;;0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM430625;MM430625;CCC1(CC2CC2N)CO1;WJRWPALVZAMABE-UHFFFAOYSA-N;141.21;0.9;;;;;DOPC;MDCG;27;1;"MARTINI bead: SNa_SNd";;;;;;;0.87;;-4.53;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM430626;MM430626;CCCc1nc(C#N)no1;JUNSOJMCGPXNED-UHFFFAOYSA-N;137.14;0.89;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNa_SNa";;;;;;;0.87;;-2.22;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM430627;MM430627;C#CC(=NO)N1CC1C=O;YYXNDYOEHAMZSY-UHFFFAOYSA-N;138.13;-0.71;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_SP2";;;;;;;-1.34;;-4.31;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM430628;MM430628;NN=C(C=CC=CF)CF;NRRKBTRHKDIIHZ-UHFFFAOYSA-N;146.14;1.31;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda_C4";;;;;;;2.2;;0.49;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM430629;MM430629;Nn1c(O)c(O)n(O)c1=O;YOWRSEAHRRHUAE-UHFFFAOYSA-N;147.09;-1.99;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP2_SP3";;;;;;;-2.2;;-9.56;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM430630;MM430630;CCOC1CC1(CN)CN;JZHDBEUAMNRHGY-UHFFFAOYSA-N;144.22;-0.3;;;;;DOPC;MDCG;27;1;"MARTINI bead: Na_SP2";;;;;;;-0.24;;-5.61;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM430631;MM430631;C=CCC1=CC(C=C)=CC1;PJAKQWAVHQITBG-UHFFFAOYSA-N;132.21;3.01;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC4_SC4";;;;;;;3.53;;0.53;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM430632;MM430632;NCC1(CC2CC2N)CO1;BASVZGDHPDIQSV-UHFFFAOYSA-N;142.2;-0.55;;;;;DOPC;MDCG;27;1;"MARTINI bead: SP2_SP1";;;;;;;-1.06;;-6.54;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM430633;MM430633;C#CC(=NO)N1CC1C#N;JANPVJPOMKWUJP-UHFFFAOYSA-N;135.13;-0.38;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_SP2";;;;;;;-1.34;;-4.31;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM430634;MM430634;C=CCC=NNC=CC=O;HMTMDLFGAZZCJN-UHFFFAOYSA-N;138.17;0.85;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nd_Na";;;;;;;0.87;;-1.88;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM430635;MM430635;NC(N)=C(CO)C(=O)O;HDZPJDVSUIKKAI-UHFFFAOYSA-N;132.12;-1.81;;;;;DOPC;MDCG;27;0;"MARTINI bead: P3_P1";;;;;;;-1.93;;-9.02;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM430636;MM430636;CCCC1NC1(CN)CN;JQACKXQYUJLIQX-UHFFFAOYSA-N;143.23;-0.59;;;;;DOPC;MDCG;27;1;"MARTINI bead: C3_SP3";;;;;;;0.6;;-2.69;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM430637;MM430637;C=CC1=CCC(CC=O)=C1;PAFXLCBGEOJHOQ-UHFFFAOYSA-N;134.18;2.02;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC4_SNa";;;;;;;2.2;;0.34;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM430638;MM430638;NC1CC1CC1(CO)CO1;BPUMVVICELJVIA-UHFFFAOYSA-N;143.19;-0.52;;;;;DOPC;MDCG;27;1;"MARTINI bead: SNd_SP2";;;;;;;-0.24;;-5.79;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM430639;MM430639;C#CC1CC1C(=CC)CC;OPPRSCSQBINXJH-UHFFFAOYSA-N;134.22;2.61;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1_SC5";;;;;;;3.68;;0.46;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM430640;MM430640;O=c1onc(O)n(O)c1=O;KFEGDBCIBCBVLU-UHFFFAOYSA-N;146.06;-1.86;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP3_SP2";;;;;;;-2.2;;-9.56;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM430641;MM430641;O=CC1CCC2(CF)CN12;SYZSYZWOSDJVDN-UHFFFAOYSA-N;143.16;0.37;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNa_SP1";;;;;;;0.04;;-2.54;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM430642;MM430642;C=CC1=CCC(CC#N)=C1;GJLHGHYKHOHPLS-UHFFFAOYSA-N;131.18;2.34;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC4_SN0";;;;;;;2.5;;0.44;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM430643;MM430643;C#CC1CC1C(=CC)CN;CPHWIILUZXLWRX-UHFFFAOYSA-N;135.21;1.16;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_SC5";;;;;;;1.64;;-2.13;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM430644;MM430644;NCC1(CN)NC1CCO;PMWYHNNXQOIAIZ-UHFFFAOYSA-N;145.21;-2;;;;;DOPC;MDCG;27;1;"MARTINI bead: SP3_P1";;;;;;;-1.93;;-6.64;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM430645;MM430645;CCC1(CC2CC2O)CO1;WVYVOAJMXMVPED-UHFFFAOYSA-N;142.2;0.94;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNa_SNda";;;;;;;0.87;;-1.99;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM430646;MM430646;N=c1nc(O)on1C(=O)O;UYFPONANCVJISG-UHFFFAOYSA-N;145.07;-0.81;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP1_SP2";;;;;;;-1.06;;-8.74;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM430647;MM430647;CCC(C=CC=NO)=NO;SZVQATHBZXXDMM-UHFFFAOYSA-N;142.16;1.24;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda_Nda";;;;;;;0.87;;-2.07;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM430648;MM430648;C=CCC1=CC(C=O)=CC1;WVONGHPZRMJMOB-UHFFFAOYSA-N;134.18;2.02;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC4_SNa";;;;;;;2.2;;0.34;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM430649;MM430649;CCC1(CC)OC1CCN;OQOAKFKIZFACIC-UHFFFAOYSA-N;143.23;1.29;;;;;DOPC;MDCG;27;1;"MARTINI bead: SC5_P1";;;;;;;0.81;;-3.2;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM430650;MM430650;CON=C(C)NC=CC#N;SZPBROYNPIKPQD-UHFFFAOYSA-N;139.16;0.59;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_N0";;;;;;;0.34;;-1.53;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM430651;MM430651;OCC1(CC2CC2O)CO1;TWYRYNHEOFLDRN-UHFFFAOYSA-N;144.17;-0.48;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP2_SNda";;;;;;;-0.24;;-3.31;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM430652;MM430652;COCC#CC#CC(=O)O;JOXAGIIIOIIAMF-UHFFFAOYSA-N;138.12;-0.28;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_Nda";;;;;;;0.87;;-7.22;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM430653;MM430653;NN=C(C=CC=NO)CO;KZEOCCOELUYXSS-UHFFFAOYSA-N;143.15;-0.69;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_Nda";;;;;;;-0.24;;-3.31;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM430654;MM430654;CCC1(CC)OC1CCO;YVZBKNIBELRYPI-UHFFFAOYSA-N;144.21;1.33;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC5_P1";;;;;;;0.81;;-0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM430655;MM430655;C=CCC1=CC(C#N)=CC1;SWDVVOGMKAIJRR-UHFFFAOYSA-N;131.18;2.34;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC4_SN0";;;;;;;2.5;;0.44;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM430656;MM430656;C#CC1CC1C(CC)=NO;AIYRAXUIMPFSSI-UHFFFAOYSA-N;137.18;1.5;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda_SC5";;;;;;;1.64;;0.05;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM430657;MM430657;NN=c1on(N)cc1F;NQUJQMUDFBZIRM-UHFFFAOYSA-N;132.1;-1.29;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP2_SNa";;;;;;;-0.24;;-3.24;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM430658;MM430658;OC1CC1CC1(CF)CO1;ZZFIJLVLTGALPX-UHFFFAOYSA-N;146.16;0.5;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNda_SNa";;;;;;;0.87;;-1.99;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM430659;MM430659;CC=CC=CC(=NC)NC;GLFRHGSRRBVSRW-UHFFFAOYSA-N;138.21;1.37;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_C2";;;;;;;2.83;;-2.12;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM430660;MM430660;CCC1(CN)OC1CCO;GUUYZVVUMVKZJP-UHFFFAOYSA-N;145.2;-0.12;;;;;DOPC;MDCG;27;1;"MARTINI bead: SP1_P1";;;;;;;-0.79;;-5.18;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM430661;MM430661;O=CCC1=CC(C=O)=CC1;WNHRNJISBKXYEU-UHFFFAOYSA-N;136.15;1.03;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNa_SNa";;;;;;;0.87;;-2.22;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM430662;MM430662;C#CC1CC1C(=NC)NC;MADUKWRDJGPYNK-UHFFFAOYSA-N;136.2;0.5;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_SC5";;;;;;;1.64;;-4.28;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM430663;MM430663;CCc1cnnc(=NC)o1;CVVJKGWJNLSCIE-UHFFFAOYSA-N;139.16;0.16;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP2_SP2";;;;;;;-1.34;;-4.31;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM430664;MM430664;CCC1(CC2CC2F)CO1;UCHRWQAFBRUPGQ-UHFFFAOYSA-N;144.19;1.91;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNa_SNa";;;;;;;0.87;;-2.22;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM430665;MM430665;CN=C(C=CC=CF)NC;RQKLNSNCXUOAJL-UHFFFAOYSA-N;142.18;1.27;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_C4";;;;;;;2.2;;-3.54;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM430666;MM430666;C#CC1CC1C(=NC)NN;UOPUEQAALXOOAJ-UHFFFAOYSA-N;137.19;-0.25;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_SC5";;;;;;;1.64;;-2.6;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM430667;MM430667;CCC1(CO)OC1CCO;SEJSWABGAYSBQY-UHFFFAOYSA-N;146.19;-0.09;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP1_P1";;;;;;;-0.79;;-3.13;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM430668;MM430668;N#CCC1=CC(C=O)=CC1;GAUWIGRVHZGYMJ-UHFFFAOYSA-N;133.15;1.36;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNa_SN0";;;;;;;1.17;;-1.18;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM430669;MM430669;OCC1(CC2CC2F)CO1;RZSKPQXMMTZXBO-UHFFFAOYSA-N;146.16;0.5;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP2_SNa";;;;;;;-0.24;;-3.24;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM430670;MM430670;CN=c1nncc(CN)o1;ATWMBAYLQFNUBI-UHFFFAOYSA-N;140.15;-0.94;;;;;DOPC;MDCG;27;1;"MARTINI bead: SP2_SP3";;;;;;;-2.2;;-6.35;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM430671;MM430671;CN=C(C=CC=CF)NO;FKNVEALZDWIZKO-UHFFFAOYSA-N;144.15;1.03;;;;;DOPC;MDCG;27;1;"MARTINI bead: P2_C4";;;;;;;1.09;;-1.62;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM430672;MM430672;N#CC1=CCC(CC=O)=C1;REIQLXGGXSQKBY-UHFFFAOYSA-N;133.15;1.36;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNa_SN0";;;;;;;1.17;;-1.18;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM430673;MM430673;C#CC1CC1C(=NO)NO;UAXBCDCYMHEJHG-UHFFFAOYSA-N;140.14;0.02;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_SC5";;;;;;;0.54;;-1.09;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM430674;MM430674;NCC1(CN)OC1CCO;VXGXZRGLJPVTJD-UHFFFAOYSA-N;146.19;-1.58;;;;;DOPC;MDCG;27;1;"MARTINI bead: SP3_P1";;;;;;;-1.93;;-6.7;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM430675;MM430675;CC1NC1CC1(CN)CC1;VPRUCKOUQFILPC-UHFFFAOYSA-N;140.23;0.48;;;;;DOPC;MDCG;27;1;"MARTINI bead: SP1_SNd";;;;;;;0.04;;-5.13;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM430676;MM430676;CN=c1nncc(CO)o1;AXQDMHHOIYGCFU-UHFFFAOYSA-N;141.13;-0.91;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP2_SP3";;;;;;;-2.2;;-5.19;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM430677;MM430677;C#CC1CC1C(=CC)OC;VOGIDNQNDPYFJC-UHFFFAOYSA-N;136.19;1.81;;;;;DOPC;MDCG;27;0;"MARTINI bead: C3_SC5";;;;;;;3.34;;0.48;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM430678;MM430678;N#CCC1=CC(C#N)=CC1;VFZPQNDDDRUTPC-UHFFFAOYSA-N;130.15;1.68;;;;;DOPC;MDCG;27;0;"MARTINI bead: SN0_SN0";;;;;;;1.47;;-0.05;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM430679;MM430679;CC=CC=CC(=NN)NC;UDKLPMZAFXZDHV-UHFFFAOYSA-N;139.2;0.61;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1_C2";;;;;;;2;;-0.65;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM430680;MM430680;NCC1(CN)OC1CCF;JQZKDLWHACLBCX-UHFFFAOYSA-N;148.18;-0.6;;;;;DOPC;MDCG;27;1;"MARTINI bead: SP3_C5";;;;;;;-0.33;;-3.99;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM430681;MM430681;CNC1(CC2NC2C)CC1;HLWYCLJBWUVDQN-UHFFFAOYSA-N;140.23;0.49;;;;;DOPC;MDCG;27;1;"MARTINI bead: SNd_SP1";;;;;;;0.04;;-5.15;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM430682;MM430682;CN=c1nncc(CF)o1;VBJLXCQHORHKHN-UHFFFAOYSA-N;143.12;0.07;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP2_SP2";;;;;;;-1.34;;-4.31;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM430683;MM430683;C=CC1=CCC(NC=N)=C1;USBKMKHUOHOIPT-UHFFFAOYSA-N;134.18;1.58;;;;;DOPC;MDCG;27;1;"MARTINI bead: SC4_SNd";;;;;;;2.2;;-2.87;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM430684;MM430684;C#CC1NC1C(=CC)CC;GKYYGAWSPMLPSG-UHFFFAOYSA-N;135.21;1.32;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1_SP3";;;;;;;0.94;;0.03;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM430685;MM430685;CC=CC=CC(=NO)NO;GIWYZJTVMGJFIN-UHFFFAOYSA-N;142.16;0.89;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1_P4";;;;;;;0.85;;-0.64;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM430686;MM430686;CCC1(CC)OC1CNC;BTRSLOUIGWDHLH-UHFFFAOYSA-N;143.23;1.16;;;;;DOPC;MDCG;27;1;"MARTINI bead: SC5_P1";;;;;;;0.81;;-2.7;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM430687;MM430687;C=CCON=CNN=C;PIDLOXNCSJCUEZ-UHFFFAOYSA-N;127.15;0.34;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_P1";;;;;;;0.81;;-0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM430688;MM430688;CC1NC1CC1(CN)CN1;KJCYMEKFGAQQJZ-UHFFFAOYSA-N;141.22;-0.96;;;;;DOPC;MDCG;27;1;"MARTINI bead: SP1_SP2";;;;;;;-1.06;;-5.81;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM430689;MM430689;C=CC1=CCC(NC=O)=C1;MDEKHBGJOINKMH-UHFFFAOYSA-N;135.17;1.13;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC4_SNda";;;;;;;2.2;;0.49;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM430690;MM430690;CN=C(C=CC=NN)NC;USHJYPBKVIISKD-UHFFFAOYSA-N;140.19;-0.27;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_Nd";;;;;;;0.87;;-6.03;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM430691;MM430691;C#CC1NC1C(=CF)CC;WHEFNBSYTHHOLW-UHFFFAOYSA-N;139.17;1.22;;;;;DOPC;MDCG;27;0;"MARTINI bead: C3_SP3";;;;;;;0.6;;-0.8;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM430692;MM430692;CCC1(CC)OC1COC;DEHZKYSHPQMXRZ-UHFFFAOYSA-N;144.21;1.59;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC5_P1";;;;;;;0.81;;-0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM430693;MM430693;NN=c1nncc(CO)o1;NOSVYWZMCIUNFP-UHFFFAOYSA-N;142.12;-1.66;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP3_SP3";;;;;;;-3.07;;-6.15;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM430694;MM430694;CC1NC1CC1(CN)CO1;FABHECLOPMZGSK-UHFFFAOYSA-N;142.2;-0.54;;;;;DOPC;MDCG;27;1;"MARTINI bead: SP1_SP2";;;;;;;-1.06;;-5.88;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM430695;MM430695;N=CNC1=CC(C=O)=CC1;XURSUBVYSSFBJY-UHFFFAOYSA-N;136.15;0.6;;;;;DOPC;MDCG;27;1;"MARTINI bead: SNd_SNa";;;;;;;0.87;;-5.23;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM430696;MM430696;CC(C=O)N1CC1;QJPWAYCHHNLFRM-UHFFFAOYSA-N;99.13;-0.11;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_SNd";;;;;;;-0.24;;-3.16;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM430697;MM430697;C#CC1NC1C(=CC)CN;PFSGSNUXMRKWDK-UHFFFAOYSA-N;136.2;-0.14;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_SP3";;;;;;;-1.1;;-5.82;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM430698;MM430698;CCC1(CF)OC1COC;RSUYAQZIUZGODD-UHFFFAOYSA-N;148.18;1.15;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNa_P1";;;;;;;0.04;;-2.54;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM430699;MM430699;CCC1(CC2OC2C)CC1;PWDOTMCFRGMQSB-UHFFFAOYSA-N;140.23;2.35;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC3_SNa";;;;;;;2.57;;0.45;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM430700;MM430700;NN=c1nncc(CF)o1;OBKHCOIFUQIUEC-UHFFFAOYSA-N;144.11;-0.69;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP3_SP2";;;;;;;-2.2;;-5.19;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM430701;MM430701;CC=CC=CC(=CC)OC;DFRIPDUJCQXSHZ-UHFFFAOYSA-N;138.21;2.67;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_C1";;;;;;;3.68;;0.46;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM430702;MM430702;N#CC1=CCC(NC=N)=C1;AGEZMOZGMZNNKD-UHFFFAOYSA-N;133.15;0.92;;;;;DOPC;MDCG;27;1;"MARTINI bead: SNd_SN0";;;;;;;1.17;;-4.29;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM430703;MM430703;CCC1(CC)CN1CCF;LVOSROFRUILYGM-UHFFFAOYSA-N;145.22;1.83;;;;;DOPC;MDCG;27;0;"MARTINI bead: SN0_P2";;;;;;;0.06;;-2.21;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM430704;MM430704;C#CC1NC1C(=CC)CF;ZSQMITLPHLWDPX-UHFFFAOYSA-N;139.17;0.88;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4_SP3";;;;;;;0.23;;-1.03;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM430705;MM430705;CC1OC1CC1(CN)CC1;CNAZBAVIUUPGCX-UHFFFAOYSA-N;141.21;0.9;;;;;DOPC;MDCG;27;1;"MARTINI bead: SNa_SNd";;;;;;;0.87;;-4.38;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM430706;MM430706;CC=C(C=CC=CF)OC;CLKVIFPFLPGVDK-UHFFFAOYSA-N;142.17;2.58;;;;;DOPC;MDCG;27;0;"MARTINI bead: C3_C4";;;;;;;3.9;;0.47;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM430707;MM430707;CCc1cnnc(=NO)o1;YVQRWSIWXBCUOJ-UHFFFAOYSA-N;141.13;-0.08;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP2_SP3";;;;;;;-2.2;;-5.19;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM430708;MM430708;C=CCOC(=NN)OCC;AIPDRGOAJXQSDK-UHFFFAOYSA-N;144.17;0.46;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_Nda";;;;;;;0.87;;-1.99;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM430709;MM430709;N#CC1=CCC(NC=O)=C1;QERBWVJUXUXEDJ-UHFFFAOYSA-N;134.14;0.47;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNda_SN0";;;;;;;1.17;;-1.13;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM430710;MM430710;N#CC=COC(=O)C(=O)O;FNGGHRMBWKKMJU-UHFFFAOYSA-N;141.08;-0.35;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_N0";;;;;;;0.34;;-7.39;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM430711;MM430711;CC1OC1CC1(CO)CC1;LMGLLQKLNVJGGD-UHFFFAOYSA-N;142.2;0.94;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNa_SNda";;;;;;;0.87;;-1.99;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM430712;MM430712;NCc1cnnc(=NO)o1;QDQDYTVJTKVBCG-UHFFFAOYSA-N;142.12;-1.18;;;;;DOPC;MDCG;27;1;"MARTINI bead: SP3_SP3";;;;;;;-3.07;;-7.27;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM430713;MM430713;CC=CC=CC(=CF)OC;KOTZUOWCYFBBSJ-UHFFFAOYSA-N;142.17;2.58;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_C2";;;;;;;3.6;;0.34;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM430714;MM430714;C=COC1=CC(C=C)=CC1;XTLOOIIOSJHWDY-UHFFFAOYSA-N;134.18;2.55;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC5_SC4";;;;;;;2.97;;0.45;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM430715;MM430715;C=CC(=NNC)OCC#N;XPWYLGJEVHTVNV-UHFFFAOYSA-N;139.16;0.25;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_N0";;;;;;;0.34;;-1.53;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM430716;MM430716;C=NNC(C)=NC=COC;NGWHZKHIIZKGBV-UHFFFAOYSA-N;141.17;0.73;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_P1";;;;;;;0.81;;-0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM430717;MM430717;CC1OC1CC1(CF)CC1;GTFZQTRHVZCLHG-UHFFFAOYSA-N;144.19;1.91;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNa_SC5";;;;;;;1.64;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM430718;MM430718;COC(C=CC=CF)=CF;ZEYRIIWQBKUPLE-UHFFFAOYSA-N;146.14;2.48;;;;;DOPC;MDCG;27;0;"MARTINI bead: N0_C4";;;;;;;2.5;;0.44;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM430719;MM430719;OCc1cnnc(=NO)o1;LJKRTKDTOCBDIA-UHFFFAOYSA-N;143.1;-1.15;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP3_SP3";;;;;;;-3.07;;-6.15;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM430720;MM430720;NCC1(CN)CN1CCF;RAOLWFOIBHYNIT-UHFFFAOYSA-N;147.2;-1.07;;;;;DOPC;MDCG;27;1;"MARTINI bead: SP3_P2";;;;;;;-2.2;;-7.12;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM430721;MM430721;C=COC1=CC(C=O)=CC1;ARKAGQCTAQYVDG-UHFFFAOYSA-N;136.15;1.56;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC5_SNa";;;;;;;1.64;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM430722;MM430722;C#CC1NC1C(=CF)OC;ODPKJIORJCRETM-UHFFFAOYSA-N;141.15;0.42;;;;;DOPC;MDCG;27;0;"MARTINI bead: N0_SP3";;;;;;;-0.8;;-2.99;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM430723;MM430723;CC=C(C=CC=NN)OC;LYCMPOFVHACIOY-UHFFFAOYSA-N;140.19;1.04;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_Nd";;;;;;;1.64;;0.02;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM430724;MM430724;CNC1(CC2OC2C)CC1;FGSPPLNMTRLQKN-UHFFFAOYSA-N;141.21;0.92;;;;;DOPC;MDCG;27;1;"MARTINI bead: SNd_SNa";;;;;;;0.87;;-4.55;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM430725;MM430725;ON=c1nncc(CF)o1;OODUKHNVDMFPMI-UHFFFAOYSA-N;145.09;-0.17;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP3_SP2";;;;;;;-2.2;;-5.19;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM430726;MM430726;NCC1(CO)CN1CCF;GKTVJDPPUJLQKS-UHFFFAOYSA-N;148.18;-1.04;;;;;DOPC;MDCG;27;1;"MARTINI bead: SP3_P2";;;;;;;-2.2;;-6.8;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM430727;MM430727;C=COC1=CC(C#N)=CC1;QGQJPNJMRIWPPD-UHFFFAOYSA-N;133.15;1.88;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC5_SN0";;;;;;;1.94;;0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM430728;MM430728;C#CC1OC1C(=CC)CN;QLNYBBYGIVKXFB-UHFFFAOYSA-N;137.18;0.29;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_SNa";;;;;;;0.87;;-4.05;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM430729;MM430729;COC1(CC2OC2C)CC1;POFAMHUNHZKKOC-UHFFFAOYSA-N;142.2;1.34;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNa_SNa";;;;;;;0.87;;-2.22;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM430730;MM430730;CC=C(C=CC=NO)OC;WAVDSTMLSODULG-UHFFFAOYSA-N;141.17;1.55;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_Nda";;;;;;;1.64;;0.05;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM430731;MM430731;CCC1(CC)CC1CC#N;WTCIUSGWVUJGEN-UHFFFAOYSA-N;137.23;2.73;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC1_P1";;;;;;;2.08;;0.48;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM430732;MM430732;C=CCc1cc(C=C)c[nH]1;DXBWYZPFAFKLRZ-UHFFFAOYSA-N;133.19;2.39;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC5_SN0";;;;;;;1.94;;0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM430733;MM430733;CCC#CC1NC1C=O;SEEIYEOHLIYBNT-UHFFFAOYSA-N;123.16;-0.06;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_SP2";;;;;;;0.54;;-1.09;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM430734;MM430734;C#CC1OC1C(=CF)CN;BTBQYKNLVMBUAD-UHFFFAOYSA-N;141.15;0.2;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1_SNa";;;;;;;0.04;;-4.62;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM430735;MM430735;CC1OC1CC1(CN)CN1;ORGPFRIMSZRDIW-UHFFFAOYSA-N;142.2;-0.54;;;;;DOPC;MDCG;27;1;"MARTINI bead: SNa_SP2";;;;;;;-0.24;;-5.23;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM430736;MM430736;COC(C=CC=NO)=CF;KALZVIXUBVHJPZ-UHFFFAOYSA-N;145.13;1.46;;;;;DOPC;MDCG;27;0;"MARTINI bead: N0_Nda";;;;;;;1.17;;-1.13;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM430737;MM430737;C#CCOC(C=C)=NNC;SMBGZHJSKIXVFD-UHFFFAOYSA-N;138.17;0.36;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_N0";;;;;;;0.34;;-1.53;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM430738;MM430738;C=Cc1c[nH]c(CC=O)c1;ZXVWIHDVMGHWFS-UHFFFAOYSA-N;135.17;1.4;;;;;DOPC;MDCG;27;0;"MARTINI bead: SN0_SNda";;;;;;;1.17;;-1.13;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM430739;MM430739;CC(C)(C)C1C(O)C1(C)C;LPEPLMPPKJTHAH-UHFFFAOYSA-N;142.24;2.05;;;;;DOPC;MDCG;27;0;"MARTINI bead: C3_SNda";;;;;;;2.57;;0.44;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM430740;MM430740;C#CC1OC1C(=CC)CO;ZQOJGKZMPXPMTO-UHFFFAOYSA-N;138.17;0.33;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda_SNa";;;;;;;0.87;;-1.99;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM430741;MM430741;CC1OC1CC1(CF)CN1;WYKGEYSISQPYKQ-UHFFFAOYSA-N;145.18;0.48;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNa_SP1";;;;;;;0.04;;-2.54;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM430742;MM430742;CC(C#N)NCC=O;FBWRVSPJZARZDY-UHFFFAOYSA-N;112.13;-0.31;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_P2";;;;;;;-1.06;;-3.82;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM430743;MM430743;CCC1(CC)CC1NC=N;ZZCNYOSSSCCCEO-UHFFFAOYSA-N;140.23;1.76;;;;;DOPC;MDCG;27;1;"MARTINI bead: SC1_P3";;;;;;;0.94;;-3.62;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM430744;MM430744;C=Cc1c[nH]c(CC#N)c1;OJZOPLUTTCBJTG-UHFFFAOYSA-N;132.17;1.72;;;;;DOPC;MDCG;27;0;"MARTINI bead: SN0_SNd";;;;;;;1.17;;-1.04;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM430745;MM430745;CNc1cnnc(=NO)o1;UJZCGDUTKWDSLG-UHFFFAOYSA-N;142.12;-0.6;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP2_SP3";;;;;;;-2.2;;-5.19;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM430746;MM430746;C#CC1OC1C(=CC)CF;JOVWAZMPRXKLKE-UHFFFAOYSA-N;140.16;1.3;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4_SNa";;;;;;;2.2;;0.34;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM430747;MM430747;CCC1(CC2OC2C)CO1;MYRNITCDMZFPEY-UHFFFAOYSA-N;142.2;1.34;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNa_SNa";;;;;;;0.87;;-2.22;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM430748;MM430748;COC(C=CC=NO)=NN;QRHKELWOKONZFI-UHFFFAOYSA-N;143.15;-0.08;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda_P1";;;;;;;0.04;;-2.73;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM430749;MM430749;C=CCc1cc(C#N)c[nH]1;XJLKMVWYLJXGLM-UHFFFAOYSA-N;132.17;1.61;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC5_SN0";;;;;;;1.94;;0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM430750;MM430750;CCc1nc(=O)onc1N;RLSSJUCNVKFTSP-UHFFFAOYSA-N;141.13;-0.43;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP1_SP3";;;;;;;-1.93;;-4.72;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM430751;MM430751;CN=c1nncc(OC)o1;DLVAWWGNKIJQIB-UHFFFAOYSA-N;141.13;-0.39;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP3_SP2";;;;;;;-2.2;;-5.19;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM430752;MM430752;C#CC1OC1C(CC)=NN;JWNGXZSNEHCOLL-UHFFFAOYSA-N;138.17;0.11;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nd_SNa";;;;;;;0.87;;-1.88;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM430753;MM430753;CC1OC1CC1(CN)CO1;GQGUIOQMBLBNCF-UHFFFAOYSA-N;143.19;-0.11;;;;;DOPC;MDCG;27;1;"MARTINI bead: SNa_SP2";;;;;;;-0.24;;-5.29;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM430754;MM430754;N#CCc1cc(C#N)c[nH]1;HRVIWUUUJRWFQA-UHFFFAOYSA-N;131.14;0.95;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNd_SN0";;;;;;;1.17;;-1.04;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM430755;MM430755;CC=NN=CC(=CC)CC;FGPUFHARRKOJKI-UHFFFAOYSA-N;138.21;2.42;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1_C5";;;;;;;3.68;;0.46;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM430756;MM430756;CON=C(C)CC#CC=O;IMLZVXAOBCJEAO-UHFFFAOYSA-N;139.15;0.6;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_P1";;;;;;;0.81;;-0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM430757;MM430757;COc1cnnc(=NN)o1;KYRPSQAHWBOPRI-UHFFFAOYSA-N;142.12;-1.15;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP3_SP3";;;;;;;-3.07;;-6.15;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM430758;MM430758;CCC1(CN)CC1NC=O;QRYDZOZCJMPDSW-UHFFFAOYSA-N;142.2;-0.14;;;;;DOPC;MDCG;27;1;"MARTINI bead: SNd_P3";;;;;;;-1.1;;-5.98;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM430759;MM430759;CC1OC1CC1(CO)CO1;UXNUZGUWAZKKAH-UHFFFAOYSA-N;144.17;-0.07;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNa_SP1";;;;;;;0.04;;-2.54;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM430760;MM430760;C=Cc1c[nH]c(NC=N)c1;LPBZNOOJZQLTRU-UHFFFAOYSA-N;135.17;1.68;;;;;DOPC;MDCG;27;1;"MARTINI bead: SN0_SP1";;;;;;;0.34;;-4.08;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM430761;MM430761;COc1cnnc(=NO)o1;DDZJPNVPGTUYKK-UHFFFAOYSA-N;143.1;-0.63;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP3_SP3";;;;;;;-3.07;;-6.15;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM430762;MM430762;CC=NN=CC(=CN)CC;SXTHEMLLPDWAAY-UHFFFAOYSA-N;139.2;1.32;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_C5";;;;;;;2.41;;0.64;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM430763;MM430763;C#CC1OC1C(=NC)NC;FIZYHWJLDFLJNO-UHFFFAOYSA-N;138.17;-0.37;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1_SNa";;;;;;;0.04;;-4.98;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM430764;MM430764;CCC1(CO)CC1NC=O;ZYFJESSLIWUMAG-UHFFFAOYSA-N;143.19;-0.11;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNda_P3";;;;;;;-1.1;;-3.97;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM430765;MM430765;CC1OC1CC1(CF)CO1;MKVPWZPJEACWMH-UHFFFAOYSA-N;146.16;0.9;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNa_SNa";;;;;;;0.87;;-2.22;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM430766;MM430766;N=CNc1cc(C=O)c[nH]1;ZAVRVXGUHRTHDZ-UHFFFAOYSA-N;137.14;0.85;;;;;DOPC;MDCG;27;1;"MARTINI bead: SP1_SNa";;;;;;;0.04;;-4.84;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM430767;MM430767;C#CCC(=O)N(C)N=CN;UXWCINGCCVSZHN-UHFFFAOYSA-N;139.16;-0.63;;;;;DOPC;MDCG;27;0;"MARTINI bead: P3_Na";;;;;;;-1.1;;-4.2;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM430768;MM430768;C=Cc1cnnc(=NC)o1;SIIIAFHTXHCEEO-UHFFFAOYSA-N;137.14;0.24;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP2_SP2";;;;;;;-1.34;;-4.31;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM430769;MM430769;NCC1(CN)CC1NC=O;GDRIXEOHAUZWJX-UHFFFAOYSA-N;143.19;-1.59;;;;;DOPC;MDCG;27;1;"MARTINI bead: SP2_P3";;;;;;;-2.2;;-7.18;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM430770;MM430770;CC=NN=CC(=CF)CC;YUNVDZQUUFEEEA-UHFFFAOYSA-N;142.18;2.33;;;;;DOPC;MDCG;27;0;"MARTINI bead: C3_C5";;;;;;;3.34;;0.48;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM430771;MM430771;CN1CC1CC1(CN)CC1;PRQBIGDXAQWCRT-UHFFFAOYSA-N;140.23;0.43;;;;;DOPC;MDCG;27;1;"MARTINI bead: SNd_SNd";;;;;;;0.87;;-4.61;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM430772;MM430772;N#Cc1c[nH]c(NC=N)c1;KHLYMNIPRWPFIZ-UHFFFAOYSA-N;134.14;0.91;;;;;DOPC;MDCG;27;1;"MARTINI bead: SP1_SN0";;;;;;;0.34;;-3.8;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM430773;MM430773;CN=c1nncc(C=O)o1;XXPHHXWBZMCWHV-UHFFFAOYSA-N;139.11;-0.59;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP2_SP3";;;;;;;-2.2;;-5.19;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM430774;MM430774;C=NNC1CC1(CC)CN;XUFRCCVYCOUGNB-UHFFFAOYSA-N;141.22;0.32;;;;;DOPC;MDCG;27;1;"MARTINI bead: SNd_P2";;;;;;;-0.24;;-5.3;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM430775;MM430775;CC=NN=CC(=CC)CN;LWECLSDGSKLNKB-UHFFFAOYSA-N;139.2;0.97;;;;;DOPC;MDCG;27;1;"MARTINI bead: C5_Nd";;;;;;;1.64;;-1.76;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM430776;MM430776;C#CC1OC1C(=CC)OC;PKLVKIIJDLMIIP-UHFFFAOYSA-N;138.17;0.94;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_SNa";;;;;;;1.64;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM430777;MM430777;CNC1(CC2CN2C)CC1;RYWKZHJNDSUVBF-UHFFFAOYSA-N;140.23;0.44;;;;;DOPC;MDCG;27;1;"MARTINI bead: SNd_SNd";;;;;;;0.87;;-4.64;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM430778;MM430778;C=COc1cc(C=C)c[nH]1;PSQDMCLBDMTSML-UHFFFAOYSA-N;135.17;2.18;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNda_SN0";;;;;;;1.17;;-1.13;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM430779;MM430779;CN=c1nncc(C#N)o1;HSYCHVQVSXGDSN-UHFFFAOYSA-N;136.11;-0.53;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP2_SP2";;;;;;;-1.34;;-4.31;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM430780;MM430780;C=NNC1CC1(CC)CF;JWZUEDIBWJTKIG-UHFFFAOYSA-N;144.19;1.33;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC4_P2";;;;;;;1.09;;-0.38;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM430781;MM430781;C#CC1CN1C(CC)=NC;UTLACBZLQCOYCK-UHFFFAOYSA-N;136.2;0.74;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_SP3";;;;;;;-1.1;;-5.34;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM430782;MM430782;CC=NN=CC(=CF)CN;WZGDQIBUEAJBJJ-UHFFFAOYSA-N;143.17;0.88;;;;;DOPC;MDCG;27;1;"MARTINI bead: C5_P1";;;;;;;0.81;;-2.26;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM430783;MM430783;CN1CC1CC1(CN)CN1;QDRPYQMVPVVGDD-UHFFFAOYSA-N;141.22;-1.01;;;;;DOPC;MDCG;27;1;"MARTINI bead: SNd_SP2";;;;;;;-0.24;;-5.15;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM430784;MM430784;NC=C(C(=O)O)C(F)CO;OZRYLAUVBVTTFU-UHFFFAOYSA-N;149.12;-0.76;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_P2";;;;;;;-1.06;;-8.8;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM430785;MM430785;C=Cc1cnnc(=NN)o1;WXVPARNAGPSAEJ-UHFFFAOYSA-N;138.13;-0.51;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP3_SP2";;;;;;;-2.2;;-5.19;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM430786;MM430786;C=NNC1CC1(CN)CN;SKBUVSDXIFPEFQ-UHFFFAOYSA-N;142.21;-1.13;;;;;DOPC;MDCG;27;1;"MARTINI bead: SP2_P2";;;;;;;-1.34;;-6.42;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM430787;MM430787;C#CC1CN1C(CC)=NO;KMEMJAAQWCYNHJ-UHFFFAOYSA-N;138.17;0.5;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_SP3";;;;;;;-1.93;;-4.72;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM430788;MM430788;CC=NN=CC(=CC)CO;WIILSWCMXIUHQW-UHFFFAOYSA-N;140.19;1;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_Nda";;;;;;;1.64;;0.05;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM430789;MM430789;CN1CC1CC1(CF)CN1;IBLJEEPWNKAICS-UHFFFAOYSA-N;144.19;;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNd_SP1";;;;;;;0.04;;-2.63;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM430790;MM430790;C=COc1cc(C#N)c[nH]1;OJNIHOYGYPAQAF-UHFFFAOYSA-N;134.14;1.41;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNda_SN0";;;;;;;1.17;;-1.13;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM430791;MM430791;C=Cc1cnnc(=NO)o1;JOUAYHXBVGMHDY-UHFFFAOYSA-N;139.11;;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP3_SP2";;;;;;;-2.2;;-5.19;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM430792;MM430792;CCC1(NC)CC1NC=O;GGQUFXGGOBGKGQ-UHFFFAOYSA-N;142.2;-0.13;;;;;DOPC;MDCG;27;1;"MARTINI bead: SNd_P3";;;;;;;-1.1;;-5.93;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM430793;MM430793;C#CC1CN1C(CO)=NO;ZSSQWYKISPWLTA-UHFFFAOYSA-N;140.14;-0.92;;;;;DOPC;MDCG;27;0;"MARTINI bead: P3_SP3";;;;;;;-3.07;;-6.15;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM430794;MM430794;C=CC(C)C1(O)CC1;NKAQJZMEKPTKML-UHFFFAOYSA-N;112.17;1.33;;;;;DOPC;MDCG;27;0;"MARTINI bead: C3_SP1";;;;;;;1.74;;0.29;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM430795;MM430795;CN1CC1CC1(CN)CO1;LUIXENFQKIRONW-UHFFFAOYSA-N;142.2;-0.58;;;;;DOPC;MDCG;27;1;"MARTINI bead: SP1_SP2";;;;;;;-1.06;;-5.87;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM430796;MM430796;C=CCc1cc(C=C)co1;QTPFRZUMAZYEOG-UHFFFAOYSA-N;134.18;2.65;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC5_SC5";;;;;;;2.41;;0.64;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM430797;MM430797;CNC1(CN)CC1NC=O;MLFXUODCBYESAF-UHFFFAOYSA-N;143.19;-1.58;;;;;DOPC;MDCG;27;1;"MARTINI bead: SP2_P3";;;;;;;-2.2;;-6.98;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM430798;MM430798;O=Cc1cnnc(=NO)o1;TZWPQZDCOUGCBD-UHFFFAOYSA-N;141.09;-0.83;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP3_SP3";;;;;;;-3.07;;-6.15;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM430799;MM430799;C#CC1CN1C(CF)=NC;QEXMATHFBJBRLI-UHFFFAOYSA-N;140.16;0.3;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_SP3";;;;;;;-1.93;;-4.72;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM430800;MM430800;CC=NN=CC(=CF)CO;PVJJLOPTCRURMK-UHFFFAOYSA-N;144.15;0.91;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_Nda";;;;;;;1.64;;0.05;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM430801;MM430801;CCOC(=NC(C)=N)NC;VHGAMENYJKCOAJ-UHFFFAOYSA-N;143.19;0.6;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_P2";;;;;;;0.54;;-1.09;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM430802;MM430802;C=Cc1coc(CC#N)c1;UXNGSSPHTVYNNL-UHFFFAOYSA-N;133.15;1.99;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC5_SN0";;;;;;;1.94;;0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM430803;MM430803;C=NNC1CC1(CC)NC;XEBBAKFUIFHUOB-UHFFFAOYSA-N;141.22;0.33;;;;;DOPC;MDCG;27;1;"MARTINI bead: SNd_P2";;;;;;;-0.24;;-4.68;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM430804;MM430804;C#Cc1cnnc(=NC)o1;DFXJVVMVZYVEJE-UHFFFAOYSA-N;135.13;-0.42;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP2_SP3";;;;;;;-2.2;;-5.19;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM430805;MM430805;CC=NN=CC(=CC)CF;RSSNDZQXBFEUCO-UHFFFAOYSA-N;142.18;1.98;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_C3";;;;;;;1.74;;0.29;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM430806;MM430806;C=NN(C=O)C(=O)C(=N)N;NOWMLVFLAPHWRK-UHFFFAOYSA-N;142.12;-1.48;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_P2";;;;;;;-1.34;;-4.31;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM430807;MM430807;CC1CN1CC1(CN)CC1;JYICYJVUVWVYEJ-UHFFFAOYSA-N;140.23;0.43;;;;;DOPC;MDCG;27;1;"MARTINI bead: SNd_SNd";;;;;;;0.87;;-4.28;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM430808;MM430808;C=CCc1cc(C=O)co1;ZUIQAZZQUFHHKY-UHFFFAOYSA-N;136.15;1.82;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC5_SNa";;;;;;;1.64;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM430809;MM430809;C=NNC1CC1(CN)NC;NGJLWGAORPWURV-UHFFFAOYSA-N;142.21;-1.12;;;;;DOPC;MDCG;27;1;"MARTINI bead: SP2_P2";;;;;;;-1.34;;-6.01;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM430810;MM430810;C#Cc1cnnc(=NN)o1;USMFAKSOWDGGPK-UHFFFAOYSA-N;136.11;-1.17;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP3_SP3";;;;;;;-3.07;;-6.15;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM430811;MM430811;C#CC1CC1C(C=C)=CC;XMRXFYGNGRKMCO-UHFFFAOYSA-N;132.21;2.39;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1_SC5";;;;;;;3.68;;0.46;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM430812;MM430812;CC=NN=CC(=CN)CF;HGICTFREMPGMIT-UHFFFAOYSA-N;143.17;0.88;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_Nda";;;;;;;1.64;;0.05;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM430813;MM430813;CNC1(CN2CC2C)CC1;BKXVNIJBTYVMBL-UHFFFAOYSA-N;140.23;0.44;;;;;DOPC;MDCG;27;1;"MARTINI bead: SNd_SNd";;;;;;;0.87;;-4.42;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM430814;MM430814;C=CCc1cc(C#N)co1;WPIOHWUVGPUQHD-UHFFFAOYSA-N;133.15;1.88;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC5_SN0";;;;;;;1.94;;0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM430815;MM430815;C#Cc1cnnc(=NO)o1;ZWNXTQFVACSMFP-UHFFFAOYSA-N;137.1;-0.66;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP3_SP3";;;;;;;-3.07;;-6.15;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM430816;MM430816;C=COC1CC1(CC)CC;FQDMIKJAHNROAG-UHFFFAOYSA-N;140.23;2.73;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC1_Na";;;;;;;2.91;;0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM430817;MM430817;CC=NN=CC(=CF)CF;SSUATWOSPCRGDG-UHFFFAOYSA-N;146.14;1.89;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_C5";;;;;;;2.41;;0.64;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM430818;MM430818;C#CC1CC1C(C=C)=CF;WYTZAZGRQMKBGM-UHFFFAOYSA-N;136.17;2.3;;;;;DOPC;MDCG;27;0;"MARTINI bead: C2_SC5";;;;;;;3.6;;0.34;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM430819;MM430819;CC1CN1CC1(CN)CN1;STDPJJQACYQXQH-UHFFFAOYSA-N;141.22;-1.01;;;;;DOPC;MDCG;27;1;"MARTINI bead: SNd_SP2";;;;;;;-0.24;;-4.81;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM430820;MM430820;N#CCc1cc(C=O)co1;ROWKLBOIGMUQBC-UHFFFAOYSA-N;135.12;1.16;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNa_SN0";;;;;;;1.17;;-1.18;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM430821;MM430821;CCC(O)CC(C)(C)CC;BTLSSTUITHPSPM-UHFFFAOYSA-N;144.26;2.58;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda_C1";;;;;;;2.91;;0.57;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM430822;MM430822;CCC1(CC)CC1OC=O;YHEJOSDLHCQMLI-UHFFFAOYSA-N;142.2;1.74;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC1_P1";;;;;;;2.08;;0.48;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM430823;MM430823;CC1C(=O)CN2CC12;IEEKXFFYJLXREZ-UHFFFAOYSA-N;111.14;-0.11;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNd_SP2";;;;;;;-0.24;;-3.16;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM430824;MM430824;C#CC1CC1C(C=O)=CC;JTZAUWGLAMDMHF-UHFFFAOYSA-N;134.18;1.4;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_SC5";;;;;;;1.64;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM430825;MM430825;N#CCc1cc(C#N)co1;JFVAXGCTAFUFJX-UHFFFAOYSA-N;132.12;1.22;;;;;DOPC;MDCG;27;0;"MARTINI bead: SN0_SN0";;;;;;;1.47;;-0.05;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM430826;MM430826;CC1CN1CC1(CF)CN1;HSZUVWCVCVAWQZ-UHFFFAOYSA-N;144.19;;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNd_SP1";;;;;;;0.04;;-2.63;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM430827;MM430827;NN=c1cc(CO)nno1;BHJDDRCXRSDBSM-UHFFFAOYSA-N;142.12;-1.66;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP2_SP2";;;;;;;-1.34;;-4.31;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM430828;MM430828;CCC1(CN)CC1OC=O;FYINBCAWHMFOKV-UHFFFAOYSA-N;143.19;0.29;;;;;DOPC;MDCG;27;1;"MARTINI bead: SNd_P1";;;;;;;0.04;;-5.04;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM430829;MM430829;C#CC1CC1C(C#N)=CC;DZTQHMJEQDHYHZ-UHFFFAOYSA-N;131.18;1.73;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_SC5";;;;;;;2.41;;0.64;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM430830;MM430830;CC=NN=CC(CC)=NO;BMVJIRXRYQJPMP-UHFFFAOYSA-N;141.17;1.3;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda_C5";;;;;;;1.64;;0.05;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM430831;MM430831;C=Cc1coc(NC=N)c1;CKNCLOSLHMSFFO-UHFFFAOYSA-N;136.15;1.94;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC5_SNd";;;;;;;1.64;;0.03;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM430832;MM430832;CCC1(CN2CC2C)CO1;YGBZJVJWOZAUAB-UHFFFAOYSA-N;141.21;0.87;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNa_SNd";;;;;;;0.87;;-1.88;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM430833;MM430833;CCOC(=NN)C(C)(F)F;WLWZSRZFBUIEBT-UHFFFAOYSA-N;152.14;0.95;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda_N0";;;;;;;1.17;;-1.13;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM430834;MM430834;CCC1(CO)CC1OC=O;WHXRDPKRACLLRO-UHFFFAOYSA-N;144.17;0.32;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNda_P1";;;;;;;0.04;;-2.73;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM430835;MM430835;C#CC1CC1C(C#N)=CN;KITOZQXJFWDFNN-UHFFFAOYSA-N;132.17;0.62;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_SC5";;;;;;;0.81;;-0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM430836;MM430836;C=COc1cc(C=C)co1;XEXGDSRYGPSPDX-UHFFFAOYSA-N;136.15;2.44;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC5_SC5";;;;;;;2.41;;0.64;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM430837;MM430837;C=C(C)CCC(C)(C)O;OHDNEULTGRXEHW-UHFFFAOYSA-N;128.22;2.11;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4_Nda";;;;;;;2.2;;0.49;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM430838;MM430838;CC1CN1CC1(CN)CO1;JDJPHAHJVUSBGS-UHFFFAOYSA-N;142.2;-0.58;;;;;DOPC;MDCG;27;1;"MARTINI bead: SNd_SP2";;;;;;;-0.24;;-4.87;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM430839;MM430839;C#CC1CC1C(C#N)=CF;GSNUXJVMUBPSKY-UHFFFAOYSA-N;135.14;1.63;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_SC5";;;;;;;1.64;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM430840;MM430840;C=COC(=NN)C(C)(F)F;CPFWUBKPIGNRHA-UHFFFAOYSA-N;150.13;1.07;;;;;DOPC;MDCG;27;0;"MARTINI bead: N0_Nda";;;;;;;1.17;;-1.13;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM430841;MM430841;C=COC1CC1(CN)CN;HHAOBWKOYDLOPB-UHFFFAOYSA-N;142.2;-0.18;;;;;DOPC;MDCG;27;1;"MARTINI bead: SP2_Na";;;;;;;-0.24;;-5.61;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM430842;MM430842;CC=NN=CC(=CC)OC;XKIMLRNKPXXLCH-UHFFFAOYSA-N;140.19;1.61;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_C5";;;;;;;2.41;;0.64;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM430843;MM430843;C=COc1cc(C#N)co1;WXYAVRVTPUHQIP-UHFFFAOYSA-N;135.12;1.67;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC5_SN0";;;;;;;1.94;;0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM430844;MM430844;CCC12CC(C)C(O)(C1)C2;OELXKXYOGDTJCT-UHFFFAOYSA-N;140.23;1.95;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC1_SNda";;;;;;;2.91;;0.57;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM430845;MM430845;C=NOC(=NN)C(C)(C)F;BMANZOQUMRKQND-UHFFFAOYSA-N;147.15;0.64;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_P1";;;;;;;0.81;;-0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM430846;MM430846;C=COC1CC1(CO)CO;QXBYKHMMUDRROG-UHFFFAOYSA-N;144.17;-0.11;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP2_Na";;;;;;;-0.24;;-3.24;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM430847;MM430847;C#CC1CC1C(C=C)=NN;VOTAJMNYJMYMRO-UHFFFAOYSA-N;134.18;0.76;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_SC5";;;;;;;2.41;;0.64;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM430848;MM430848;CC=NN=CC(=CN)OC;AVFGOUVIXQWIRS-UHFFFAOYSA-N;141.17;0.51;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_C5";;;;;;;0.81;;-0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM430849;MM430849;C=CC1(CC2CC2C)CC1;WFINZGPZERATHB-UHFFFAOYSA-N;136.24;3;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC5_SC4";;;;;;;2.97;;0.45;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM430850;MM430850;C=CCc1cc(C=C)no1;NTZJYMINYBESSK-UHFFFAOYSA-N;135.17;2.05;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC5_SNa";;;;;;;1.64;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM430851;MM430851;CCCC(O)CC(C)CC;KFRCBGHGDZSOJV-UHFFFAOYSA-N;144.26;2.58;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_C1";;;;;;;3.68;;0.46;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM430852;MM430852;C=NOC1CC1(CC)CC;UYZFGKLZAHKFIA-UHFFFAOYSA-N;141.21;2.2;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC1_P1";;;;;;;2.08;;0.48;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM430853;MM430853;C#CC1CC1C(C=C)=NO;NBOVLZKNJYBHNS-UHFFFAOYSA-N;135.17;1.27;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda_SC5";;;;;;;1.64;;0.05;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM430854;MM430854;CC=NN=CC(=CF)OC;XHFJWTHOQDTKJK-UHFFFAOYSA-N;144.15;1.52;;;;;DOPC;MDCG;27;0;"MARTINI bead: N0_C5";;;;;;;1.94;;0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM430855;MM430855;CC1CC1CC1(C=O)CC1;LOMBWWUDHCXXNP-UHFFFAOYSA-N;138.21;2.01;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC5_SNa";;;;;;;1.64;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM430856;MM430856;C=Cc1cc(CC#N)on1;IDDDBWXVKLJHPQ-UHFFFAOYSA-N;134.14;1.38;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNa_SN0";;;;;;;1.17;;-1.18;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM430857;MM430857;C#CC1(C)CN1CC(C)=O;JABGQSFBOKRHOY-UHFFFAOYSA-N;137.18;0.28;;;;;DOPC;MDCG;27;0;"MARTINI bead: P3_SP1";;;;;;;-1.93;;-4.72;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM430858;MM430858;C=NOC1CC1(CC)CN;SJNBDKKVIGGTIO-UHFFFAOYSA-N;142.2;0.75;;;;;DOPC;MDCG;27;1;"MARTINI bead: SNd_P1";;;;;;;0.04;;-5.04;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM430859;MM430859;C#CCCCC(C)(C)O;BGFAJVWETRCBHY-UHFFFAOYSA-N;126.2;1.56;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda_C3";;;;;;;2.57;;0.44;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM430860;MM430860;C#CC1NC1C(C=C)=CC;CVQHXNSVBKFYHV-UHFFFAOYSA-N;133.19;1.09;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1_SP3";;;;;;;0.94;;0.03;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM430861;MM430861;CC1CC1CC1(C#N)CC1;NDDFLEAEVPHRFJ-UHFFFAOYSA-N;135.21;2.34;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC5_SN0";;;;;;;1.94;;0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM430862;MM430862;C=CCc1cc(C=O)no1;UPPXSDLXDIOWLE-UHFFFAOYSA-N;137.14;1.22;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC5_SNa";;;;;;;1.64;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM430863;MM430863;C=NNC=NOCC(F)F;WVLYQEXPMBLHES-UHFFFAOYSA-N;151.12;0.42;;;;;DOPC;MDCG;27;0;"MARTINI bead: N0_P1";;;;;;;0.34;;-1.53;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM430864;MM430864;C#CC1NC1C(C=C)=CF;VYKKQGBKTKGSAF-UHFFFAOYSA-N;137.16;1;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4_SP3";;;;;;;0.23;;-1.03;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM430865;MM430865;CC1(C)C2OC(=NN)OC21;XRGFEWGDOJDBOK-UHFFFAOYSA-N;142.16;0.04;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC4_SP2";;;;;;;1.09;;-0.38;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM430866;MM430866;C=CC(C=CC=CC)=CC;PUVSVPXLGNKGGB-UHFFFAOYSA-N;134.22;3.25;;;;;DOPC;MDCG;27;0;"MARTINI bead: C2_C1";;;;;;;4.87;;0.53;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM430867;MM430867;C=CC1(CC2CC2N)CC1;MWOYHYNZOUCJQK-UHFFFAOYSA-N;137.23;1.69;;;;;DOPC;MDCG;27;1;"MARTINI bead: SNd_SC4";;;;;;;2.2;;-2.07;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM430868;MM430868;N#CC(=NO)C(C#N)C=O;MWIBLUUVUIOVKV-UHFFFAOYSA-N;137.1;-0.32;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_Na";;;;;;;-0.24;;-8.22;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM430869;MM430869;C=CCc1cc(C#N)no1;RPFIKZJPJACMEI-UHFFFAOYSA-N;134.14;1.27;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC5_SNa";;;;;;;1.64;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM430870;MM430870;C=COC1CC1(CN)NC;FEYNTKXGKBTPDL-UHFFFAOYSA-N;142.2;-0.16;;;;;DOPC;MDCG;27;1;"MARTINI bead: SP2_Na";;;;;;;-0.24;;-5.32;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM430871;MM430871;C#CC1NC1C(C=O)=CC;NHAMDEUHTLADSM-UHFFFAOYSA-N;135.17;0.11;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_SP3";;;;;;;-1.1;;-4.2;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM430872;MM430872;C=CC(C=CC=CF)=CC;LQDJUAHBMBRVTC-UHFFFAOYSA-N;138.19;3.16;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1_C4";;;;;;;4.24;;0.42;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM430873;MM430873;N#CC(O)C(CO)C(=O)O;VFFPSXMRBJQWJH-UHFFFAOYSA-N;145.11;-1.44;;;;;DOPC;MDCG;27;0;"MARTINI bead: P3_P1";;;;;;;-1.93;;-9.03;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM430874;MM430874;NN=CC=NOCC(F)F;CNXOYDMPEJNYNE-UHFFFAOYSA-N;151.12;0.2;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_N0";;;;;;;0.34;;-1.53;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM430875;MM430875;N#CCc1cc(C=O)no1;NTSUQPCERNNSJR-UHFFFAOYSA-N;136.11;0.55;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNa_SN0";;;;;;;1.17;;-1.18;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM430876;MM430876;CNC1(CN)CC1OC=O;KCGBCEKMFWUJPN-UHFFFAOYSA-N;144.17;-1.15;;;;;DOPC;MDCG;27;1;"MARTINI bead: SP2_P1";;;;;;;-1.06;;-5.82;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM430877;MM430877;CC=CC=CC(C=O)=CC;KHEXFLTUFSOZEB-UHFFFAOYSA-N;136.19;2.26;;;;;DOPC;MDCG;27;0;"MARTINI bead: C2_Na";;;;;;;2.83;;0.35;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM430878;MM430878;C#CC1NC1C(C#N)=CC;ATWMYARFMWOPPF-UHFFFAOYSA-N;132.17;0.43;;;;;DOPC;MDCG;27;0;"MARTINI bead: N0_SP3";;;;;;;-0.8;;-2.99;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM430879;MM430879;CC#CCOC(=O)C(=O)O;AFZUZQXOYWUJHM-UHFFFAOYSA-N;142.11;-0.36;;;;;DOPC;MDCG;27;0;"MARTINI bead: N0_P1";;;;;;;0.34;;-6.67;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM430880;MM430880;CONC(=N)ON=CCF;QRMHDQSGDMZFFR-UHFFFAOYSA-N;149.13;0.04;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_Na";;;;;;;-0.24;;-3.24;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM430881;MM430881;N#CCc1cc(C#N)no1;WHELBFSJYRYPFV-UHFFFAOYSA-N;133.11;0.61;;;;;DOPC;MDCG;27;0;"MARTINI bead: SN0_SNa";;;;;;;1.17;;-1.18;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM430882;MM430882;CC=CC=CC(C#N)=CC;BNFDCCPXEGGORY-UHFFFAOYSA-N;133.19;2.59;;;;;DOPC;MDCG;27;0;"MARTINI bead: C2_C5";;;;;;;3.6;;0.34;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM430883;MM430883;C=NOC1CC1(CC)NC;IPPUDQJUHYHTAH-UHFFFAOYSA-N;142.2;0.76;;;;;DOPC;MDCG;27;1;"MARTINI bead: SNd_P1";;;;;;;0.04;;-3.83;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM430884;MM430884;C#CC1NC1C(C=O)=CN;WMILMDYVHGPATD-UHFFFAOYSA-N;136.15;-1;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_SP3";;;;;;;-2.2;;-5.19;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM430885;MM430885;CN=c1ncc(=O)cco1;IYNDKYDVQPIYRO-UHFFFAOYSA-N;138.13;-0.43;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP2_SP1";;;;;;;-1.06;;-3.82;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM430886;MM430886;N#CC1(CC2CC2O)CC1;QQYJJXJZQBCFRI-UHFFFAOYSA-N;137.18;1.06;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNda_SN0";;;;;;;1.17;;-1.13;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM430887;MM430887;C=Cc1cc(NC=N)on1;CPHKMTKBSKXUMK-UHFFFAOYSA-N;137.14;1.34;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNa_SP1";;;;;;;0.04;;-2.54;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM430888;MM430888;C=NOC1CC1(CC)OC;JMWKQYFISXJMMP-UHFFFAOYSA-N;143.19;1.19;;;;;DOPC;MDCG;27;0;"MARTINI bead: SN0_P1";;;;;;;0.34;;-1.53;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM430889;MM430889;CC=C(C=O)C=CC=CF;TVADAVAXMJDFMW-UHFFFAOYSA-N;140.16;2.17;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_C4";;;;;;;2.2;;0.34;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM430890;MM430890;CC#CC(F)COC=NN;SRCJUJFIJFZRGX-UHFFFAOYSA-N;144.15;0.27;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_P1";;;;;;;0.81;;-0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM430891;MM430891;C=CC1(CC2CC2F)CC1;DVAXXJPBSNSRAR-UHFFFAOYSA-N;140.2;2.7;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNa_SC4";;;;;;;2.2;;0.34;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM430892;MM430892;C#CC1NC1C(C#N)=CN;FJALHAUXUCWVBQ-UHFFFAOYSA-N;133.15;-0.67;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_SP3";;;;;;;-1.93;;-4.72;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM430893;MM430893;C=COc1cc(C=C)no1;HXWCSFQTVZIYSP-UHFFFAOYSA-N;137.14;1.84;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNa_SNa";;;;;;;0.87;;-2.22;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM430894;MM430894;CC=C(C#N)C=CC=CF;BWLMMAYAKKBDHU-UHFFFAOYSA-N;137.16;2.5;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_C4";;;;;;;2.97;;0.45;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM430895;MM430895;C=NOC1CC1(CN)OC;PCOKRHFOMZOOLH-UHFFFAOYSA-N;144.17;-0.27;;;;;DOPC;MDCG;27;1;"MARTINI bead: SP1_P1";;;;;;;-0.79;;-5.18;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM430896;MM430896;C#CC1NC1C(C=C)=NO;NSZJWEFTSIELEY-UHFFFAOYSA-N;136.15;-0.02;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda_SP3";;;;;;;-1.1;;-3.97;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM430897;MM430897;CN=c1ncc(=O)cno1;SKPWMBPZRDFUEH-UHFFFAOYSA-N;139.11;-1.04;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP2_SP2";;;;;;;-1.34;;-4.31;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM430898;MM430898;O=CC1(CC2CC2F)CC1;ZDTRTHIQOMXXJE-UHFFFAOYSA-N;142.17;1.71;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNa_SNa";;;;;;;0.87;;-2.22;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM430899;MM430899;C=COc1cc(C=O)no1;ZBSGVCKOZDUCAE-UHFFFAOYSA-N;139.11;1.01;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNa_SNa";;;;;;;0.87;;-2.22;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM430900;MM430900;CC=CC=CC(C#N)=CN;MOTJZJBLYKIACF-UHFFFAOYSA-N;134.18;1.48;;;;;DOPC;MDCG;27;0;"MARTINI bead: C2_P1";;;;;;;2;;0.29;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM430901;MM430901;CCC1(CC)NC1CC#N;NRWSIFNGOHORGL-UHFFFAOYSA-N;138.21;1.43;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNd_P1";;;;;;;0.04;;-2.63;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM430902;MM430902;CN(C)C(=O)OCC=NN;QPHWGBFNPMMYGC-UHFFFAOYSA-N;145.16;-0.37;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda_P1";;;;;;;0.04;;-2.73;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM430903;MM430903;N#CC1(CC2CC2F)CC1;JKGWFWXRIGHAAQ-UHFFFAOYSA-N;139.17;2.04;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNa_SN0";;;;;;;1.17;;-1.18;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM430904;MM430904;C#CC1OC1C(C=C)=CC;IAZHMDLFVYFYFG-UHFFFAOYSA-N;134.18;1.52;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1_SNa";;;;;;;2.91;;0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM430905;MM430905;C=COc1cc(C#N)no1;LLASRAFTBORSIH-UHFFFAOYSA-N;136.11;1.07;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNa_SNa";;;;;;;0.87;;-2.22;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM430906;MM430906;CN=c1ncc(=N)nco1;KJPBELIIRFKCPX-UHFFFAOYSA-N;138.13;-0.92;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP2_SP3";;;;;;;-2.2;;-5.19;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM430907;MM430907;N#CC(C=CC=CF)=CN;GFBPSCHONDLINL-UHFFFAOYSA-N;138.15;1.39;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_C4";;;;;;;1.37;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM430908;MM430908;C=CCC1NC1(CN)CN;AXOJOKYBPQCVOF-UHFFFAOYSA-N;141.22;-0.81;;;;;DOPC;MDCG;27;1;"MARTINI bead: SP3_C4";;;;;;;0.23;;-2.96;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM430909;MM430909;C=CC1(NC2CC2C)CC1;PMRQTVYDRWEDJW-UHFFFAOYSA-N;137.23;1.7;;;;;DOPC;MDCG;27;1;"MARTINI bead: SNd_SC4";;;;;;;2.2;;-1.42;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM430910;MM430910;COC(C=C(N)N)=NN;BFPSIXRVGZJTOE-UHFFFAOYSA-N;130.15;-1.34;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_P2";;;;;;;-1.06;;-3.82;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM430911;MM430911;C#CC1OC1C(C=O)=CN;LMRVZLWHLCTWJW-UHFFFAOYSA-N;137.14;-0.57;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_SNa";;;;;;;-0.24;;-3.24;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM430912;MM430912;CN=c1ncc(=O)nco1;IXQCQGICDUMJHS-UHFFFAOYSA-N;139.11;-1.04;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP2_SP3";;;;;;;-2.2;;-5.19;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM430913;MM430913;CC=CC=CC(C=O)=CF;YUMGBVJUKLFOAF-UHFFFAOYSA-N;140.16;2.17;;;;;DOPC;MDCG;27;0;"MARTINI bead: C2_Na";;;;;;;2.83;;0.35;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM430914;MM430914;CCC1(CC)OC1CC=O;VKKGOPWPSDPDLD-UHFFFAOYSA-N;142.2;1.53;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC5_Na";;;;;;;1.64;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM430915;MM430915;CC1CC1NC1(C#N)CC1;PTVZVKRAWLSDDD-UHFFFAOYSA-N;136.2;1.04;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC5_SP2";;;;;;;0.54;;-1.09;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM430916;MM430916;CCC1CC1C(C)(C)O;NWNVCFFPAHGALJ-UHFFFAOYSA-N;128.22;1.8;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC3_Nda";;;;;;;2.57;;0.44;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM430917;MM430917;C#CC1OC1C(C=O)=CF;IINLNTRWCVZOLE-UHFFFAOYSA-N;140.11;0.44;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_SNa";;;;;;;0.87;;-2.22;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM430918;MM430918;C=C(C=NN=CN)C(C)=O;PPVOZPKIVVMVTL-UHFFFAOYSA-N;139.16;0.1;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_Nd";;;;;;;0.87;;-1.88;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM430919;MM430919;CC=CC=CC(C#N)=CF;DPYATBIERULMMP-UHFFFAOYSA-N;137.16;2.5;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1_Na";;;;;;;2.91;;0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM430920;MM430920;C=CC1(NC2CC2N)CC1;VUUKHZHGZDJNSG-UHFFFAOYSA-N;138.21;0.39;;;;;DOPC;MDCG;27;1;"MARTINI bead: SP3_SC4";;;;;;;0.23;;-2.93;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM430921;MM430921;C=CCC1OC1(CC)CO;ZAQRALKCIURXBE-UHFFFAOYSA-N;142.2;1.1;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP1_C4";;;;;;;1.37;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM430922;MM430922;N#Cc1n[nH]c(NC=N)n1;COJKYIRQBANANU-UHFFFAOYSA-N;136.12;-0.3;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP2_SP1";;;;;;;-1.06;;-3.82;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM430923;MM430923;CON=CCC(C)C(C)=O;JFBDGRHSPZSFGB-UHFFFAOYSA-N;143.19;1.23;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_Na";;;;;;;0.87;;-2.22;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM430924;MM430924;N#CC1(C=O)CC1C(=O)O;MUCDKWTZXAHSMW-UHFFFAOYSA-N;139.11;-0.2;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_SNa";;;;;;;0.04;;-7.7;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM430925;MM430925;C=CC1(NC2CC2O)CC1;XEMYUEWLRJSZJD-UHFFFAOYSA-N;139.2;0.43;;;;;DOPC;MDCG;27;1;"MARTINI bead: SP2_SC4";;;;;;;1.09;;-1.48;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM430926;MM430926;N#CC(C=CC=CF)=CF;DFYWJQNMCYMUFH-UHFFFAOYSA-N;141.12;2.4;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4_Na";;;;;;;2.2;;0.34;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM430927;MM430927;CN(N)C(=NC=O)C(=O)O;IGUXGZXXAKMYEB-UHFFFAOYSA-N;145.12;-1.57;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_P1";;;;;;;-1.06;;-8.8;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM430928;MM430928;CCC1(CC)CN1CC#N;LPPNKGGJLMDANX-UHFFFAOYSA-N;138.21;1.38;;;;;DOPC;MDCG;27;0;"MARTINI bead: SN0_P3";;;;;;;-0.8;;-2.99;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM430929;MM430929;O=CC(C=O)C(=O)CO;DXRKPKFGWXNBKJ-UHFFFAOYSA-N;130.1;-1.44;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_Na";;;;;;;-0.24;;-8.66;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM430930;MM430930;Nc1nc(=O)n(C(=O)O)o1;VOXTXTNKKQWKCU-UHFFFAOYSA-N;145.07;-1.06;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP1_SP2";;;;;;;-1.06;;-8.74;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM430931;MM430931;C=CCc1nc(C=C)co1;KLKMCYZWMMYZSC-UHFFFAOYSA-N;135.17;2.05;;;;;DOPC;MDCG;27;0;"MARTINI bead: SN0_SNa";;;;;;;1.17;;-1.18;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM430932;MM430932;CCCON=C(C)C=NN;SAUWHSKNUFAUBT-UHFFFAOYSA-N;143.19;0.73;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_Nd";;;;;;;0.87;;-1.88;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM430933;MM430933;C=CC(C=CC=NN)=CC;CZRPYNSPKMRCGN-UHFFFAOYSA-N;136.2;1.62;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1_Nd";;;;;;;2.91;;0.63;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM430934;MM430934;C=CCN1CC1(CN)CO;AAODHVOEYVAURY-UHFFFAOYSA-N;142.2;-0.82;;;;;DOPC;MDCG;27;1;"MARTINI bead: SP3_P1";;;;;;;-1.93;;-6.33;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM430935;MM430935;C#CC1CN1C(C=C)=NC;CTPZEXWRZYPKII-UHFFFAOYSA-N;134.18;0.52;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_SP3";;;;;;;-1.1;;-5.03;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM430936;MM430936;C=COC(=NO)C(C)(F)F;DDNZSEDHEMZGRG-UHFFFAOYSA-N;151.11;1.59;;;;;DOPC;MDCG;27;0;"MARTINI bead: N0_Nda";;;;;;;1.17;;-6.32;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM430937;MM430937;C=Cc1coc(CC#N)n1;LTTJBWCGMRFUHE-UHFFFAOYSA-N;134.14;1.38;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNa_SN0";;;;;;;1.17;;-1.18;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM430938;MM430938;O=CC1(NC2CC2F)CC1;JOPICQQCHQAELC-UHFFFAOYSA-N;143.16;0.42;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP1_SNa";;;;;;;0.04;;-2.54;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM430939;MM430939;C=C1C=C(C)CC1(C)O;JRUHBDJAEBVQGU-UHFFFAOYSA-N;124.18;1.64;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC4_SNda";;;;;;;2.2;;0.49;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM430940;MM430940;CCC1(CC)CN1NC=N;ZOFLTKLYGTXSOH-UHFFFAOYSA-N;141.22;0.97;;;;;DOPC;MDCG;27;1;"MARTINI bead: SN0_P4";;;;;;;-0.88;;-6.41;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM430941;MM430941;CN(N=CN)C(=O)C(=N)N;LPAHSQWHOAJSBA-UHFFFAOYSA-N;143.15;-1.72;;;;;DOPC;MDCG;27;0;"MARTINI bead: P5_P2";;;;;;;-2.22;;-6.53;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM430942;MM430942;COC=NN=C(N)C(=O)O;ACSBCLVJXIKZEV-UHFFFAOYSA-N;145.12;-0.98;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_P1";;;;;;;-0.79;;-8.29;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM430943;MM430943;C=CCc1nc(C=O)co1;RKMAEYJHBPSWPM-UHFFFAOYSA-N;137.14;1.22;;;;;DOPC;MDCG;27;0;"MARTINI bead: SN0_SP1";;;;;;;0.34;;-1.53;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM430944;MM430944;N#CC1(NC2CC2F)CC1;IQERAISSXPQEME-UHFFFAOYSA-N;140.16;0.74;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP1_SN0";;;;;;;0.34;;-1.53;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM430945;MM430945;C=CC(C=CC=NN)=CF;WFHGFSGPRFUIMO-UHFFFAOYSA-N;140.16;1.53;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nd_C2";;;;;;;2.83;;0.62;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM430946;MM430946;C#CC1CN1C(C=C)=NO;FUWWKAVTCNAAJA-UHFFFAOYSA-N;136.15;0.28;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_SP3";;;;;;;-1.93;;-4.72;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM430947;MM430947;CCC1(CC)CN1NC=O;RJHRBXLKGZPSDA-UHFFFAOYSA-N;142.2;0.52;;;;;DOPC;MDCG;27;0;"MARTINI bead: SN0_P4";;;;;;;-0.88;;-3.74;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM430948;MM430948;C#Cc1n[nH]n(N=C)c1=O;KQMYUOMEPHLSEI-UHFFFAOYSA-N;136.11;-0.98;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP2_SP1";;;;;;;-1.06;;-8.74;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM430949;MM430949;C=CC1(OC2CC2C)CC1;MKSKRGUUHAPXTR-UHFFFAOYSA-N;138.21;2.13;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNa_SC4";;;;;;;2.2;;0.34;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM430950;MM430950;C=CCc1nc(C#N)co1;SVXHRVSDSRFYFY-UHFFFAOYSA-N;134.14;1.27;;;;;DOPC;MDCG;27;0;"MARTINI bead: SN0_SNa";;;;;;;1.17;;-1.18;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM430951;MM430951;C=CC(C=CC=NO)=CF;FOHMVFXHFKRNEJ-UHFFFAOYSA-N;141.15;2.04;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_C2";;;;;;;2;;0.3;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM430952;MM430952;C#CC1CN1C(C=O)=NC;LNQQFTFGTHDUIN-UHFFFAOYSA-N;136.15;-0.47;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_SP3";;;;;;;-2.2;;-5.19;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM430953;MM430953;CCC1(CN)CN1NC=O;HJOUSUBPYYXKNR-UHFFFAOYSA-N;143.19;-0.93;;;;;DOPC;MDCG;27;1;"MARTINI bead: SP1_P4";;;;;;;-2.01;;-6.65;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM430954;MM430954;CC1CC1OC1(C=O)CC1;HIIIRLDSZAUSMB-UHFFFAOYSA-N;140.18;1.14;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNa_SNa";;;;;;;0.87;;-2.22;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM430955;MM430955;N#CCc1nc(C=O)co1;CRCVESRPBTXRKG-UHFFFAOYSA-N;136.11;0.55;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP1_SN0";;;;;;;0.34;;-1.53;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM430956;MM430956;CC=C(C#N)C=CC=NO;UJXZHRFIGHIKJI-UHFFFAOYSA-N;136.15;1.47;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_P1";;;;;;;0.81;;-0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM430957;MM430957;CN=c1oc(O)nn1N;OGJAQHKZDLOOIH-UHFFFAOYSA-N;130.11;-1.57;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP2_SP1";;;;;;;-1.06;;-8.74;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM430958;MM430958;CCC1(CO)CN1NC=N;JPARDSUHKFSJEU-UHFFFAOYSA-N;143.19;-0.45;;;;;DOPC;MDCG;27;1;"MARTINI bead: SP1_P4";;;;;;;-2.01;;-7.81;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM430959;MM430959;C#CC1CN1C(C#N)=NC;XBJSDHYWCCVIJL-UHFFFAOYSA-N;133.15;-0.14;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_SP3";;;;;;;-2.2;;-5.19;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM430960;MM430960;N#CCc1nc(C#N)co1;LBJUBXPPBTWTJT-UHFFFAOYSA-N;133.11;0.61;;;;;DOPC;MDCG;27;0;"MARTINI bead: SN0_SNa";;;;;;;1.17;;-1.18;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM430961;MM430961;CC1CC1OC1(C#N)CC1;BDWRADOGPJUDEP-UHFFFAOYSA-N;137.18;1.47;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNa_SN0";;;;;;;1.17;;-1.18;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM430962;MM430962;C=CC(C=CC=CF)=NN;MYRMZQLPNDAFOL-UHFFFAOYSA-N;140.16;1.53;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nd_C4";;;;;;;2.2;;0.32;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM430963;MM430963;NN=CC(C(=O)O)C(=O)O;UKGHDLLDYGFMCP-UHFFFAOYSA-N;146.1;-1.28;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_P2";;;;;;;-1.06;;-8.74;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM430964;MM430964;CCC1(CO)CN1NC=O;OCFXPNRSIQRSIA-UHFFFAOYSA-N;144.17;-0.9;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP1_P4";;;;;;;-2.01;;-5.13;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM430965;MM430965;C#CC(=CC)C1CC1C#C;UAXPLVYRXXVCJX-UHFFFAOYSA-N;130.19;1.84;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4_SC5";;;;;;;2.97;;0.45;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM430966;MM430966;C=CC1(OC2CC2N)CC1;HDYRGPWCNVIVGP-UHFFFAOYSA-N;139.2;0.82;;;;;DOPC;MDCG;27;1;"MARTINI bead: SP2_SC4";;;;;;;1.09;;-2.17;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM430967;MM430967;C=NNC(C)=NOCC;CRXBCKVTWGUCMQ-UHFFFAOYSA-N;129.16;0.56;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_P1";;;;;;;0.81;;-0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM430968;MM430968;CN=c1nnc(=N)cco1;RLDXNKNWPXHQKF-UHFFFAOYSA-N;138.13;-0.92;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP2_SP2";;;;;;;-1.34;;-4.31;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM430969;MM430969;C=C1C(C)=CCC1(C)O;HMZDECVZPZVMEH-UHFFFAOYSA-N;124.18;1.64;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC3_SNda";;;;;;;2.57;;0.44;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM430970;MM430970;C#CC(=CF)C1CC1C#C;UGVCYNNIIKEHJU-UHFFFAOYSA-N;134.15;1.74;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_SC5";;;;;;;2.41;;0.64;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM430971;MM430971;NCC1(CN)CN1NC=O;VXXQSWNYGXESFC-UHFFFAOYSA-N;144.18;-2.38;;;;;DOPC;MDCG;27;1;"MARTINI bead: SP3_P4";;;;;;;-3.15;;-8.35;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM430972;MM430972;C=CC1(OC2CC2O)CC1;IQYHAPQPCQQTFJ-UHFFFAOYSA-N;140.18;0.85;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP2_SC4";;;;;;;1.09;;-0.38;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM430973;MM430973;C=COc1nc(C#N)co1;RPVICDCPMHHDJI-UHFFFAOYSA-N;136.11;1.07;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNa_SNa";;;;;;;0.87;;-2.22;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM430974;MM430974;C=CC(C=CC=CF)=NO;PISODPAPDGGBTI-UHFFFAOYSA-N;141.15;2.04;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda_C4";;;;;;;2.2;;0.49;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM430975;MM430975;CONC(=N)C(F)=C(C)N;VPJQFKFCRDOZSC-UHFFFAOYSA-N;147.15;0.27;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_Nda";;;;;;;-0.24;;-3.31;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM430976;MM430976;C#CC(=NN)C1CC1C#C;MTYMFNGTKCCIAM-UHFFFAOYSA-N;132.17;0.2;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nd_SC5";;;;;;;1.64;;0.02;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM430977;MM430977;C=CC1(CC)CC1CCC;GHMCHDKGNIZQCR-UHFFFAOYSA-N;138.25;3.39;;;;;DOPC;MDCG;27;0;"MARTINI bead: C3_SC3";;;;;;;4.27;;0.2;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM430978;MM430978;N#CC1(OC2CC2O)CC1;NRPDUCWIBXUETI-UHFFFAOYSA-N;139.15;0.19;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP2_SN0";;;;;;;0.06;;-2.21;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM430979;MM430979;C=CCc1nc(C=C)no1;XDERURUWFJVRKN-UHFFFAOYSA-N;136.15;1.44;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNa_SNa";;;;;;;0.87;;-2.22;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM430980;MM430980;CC(C(=O)O)=C(N)N;XPMHTTJBMUTLAE-UHFFFAOYSA-N;116.12;-0.78;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_P1";;;;;;;-0.79;;-7.92;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM430981;MM430981;N=c1ccoc(=NO)nn1;VOCSMYAWWKYMGX-UHFFFAOYSA-N;140.1;-1.16;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP2_SP2";;;;;;;-1.34;;-4.31;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM430982;MM430982;C#CC(=CC)C1NC1C#C;PJYYWTAFTVRNNJ-UHFFFAOYSA-N;131.18;0.54;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4_SP3";;;;;;;0.23;;-1.03;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM430983;MM430983;CC1(F)C2OC(=NN)OC21;MOTHBBTVSSXNLP-UHFFFAOYSA-N;146.12;-0.26;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC5_SP2";;;;;;;0.54;;-1.09;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM430984;MM430984;C=CC1(OC2CC2F)CC1;UINYGLSYTFZOIQ-UHFFFAOYSA-N;142.17;1.83;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP1_SC4";;;;;;;1.37;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM430985;MM430985;C=Cc1noc(CC#N)n1;JBZXIDURKMDSII-UHFFFAOYSA-N;135.13;0.78;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNa_SNa";;;;;;;0.87;;-2.22;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM430986;MM430986;C=C(C1CC1)C(C)(C)O;IHNMFOZJUFHNPI-UHFFFAOYSA-N;126.2;1.72;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda_SC4";;;;;;;2.2;;0.49;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM430987;MM430987;C#CC(=CF)C1NC1C#C;NSMVZNBCLJWVIH-UHFFFAOYSA-N;135.14;0.45;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_SP3";;;;;;;-0.33;;-2.01;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM430988;MM430988;CN=c1nnc(=O)cco1;RBACAQZRDQPAFD-UHFFFAOYSA-N;139.11;-1.04;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP2_SP2";;;;;;;-1.34;;-4.31;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM430989;MM430989;CCCC1CC1(C=O)CC;ZDNDAQROYWEWLX-UHFFFAOYSA-N;140.23;2.4;;;;;DOPC;MDCG;27;0;"MARTINI bead: C3_SNa";;;;;;;2.57;;0.45;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM430990;MM430990;C=CCc1nc(C=O)no1;ZGBHMMYVXZGANG-UHFFFAOYSA-N;138.13;0.61;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNa_SP1";;;;;;;0.04;;-2.54;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM430991;MM430991;O=CC1(OC2CC2F)CC1;ZDMUMFHPLMKVCM-UHFFFAOYSA-N;144.15;0.84;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP1_SNa";;;;;;;0.04;;-2.54;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM430992;MM430992;COC(=O)CC#CC(=O)O;IYPSVRMWFHPLFU-UHFFFAOYSA-N;142.11;-0.36;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_P1";;;;;;;0.04;;-7.33;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM430993;MM430993;NN=c1nnc(=O)cco1;VFRQULYSACSSTK-UHFFFAOYSA-N;140.1;-1.8;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP3_SP2";;;;;;;-2.2;;-5.19;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM430994;MM430994;C#CC(=NN)C1NC1C#C;CYFTXDAYZSNUKV-UHFFFAOYSA-N;133.15;-1.09;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_SP3";;;;;;;-1.93;;-4.72;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM430995;MM430995;CCCC1CC1(C#N)CC;FWJLVFBQMPGYGZ-UHFFFAOYSA-N;137.23;2.73;;;;;DOPC;MDCG;27;0;"MARTINI bead: C3_SC5";;;;;;;3.34;;0.48;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM430996;MM430996;C=CCc1nc(C#N)no1;SJUQVTFLQRVZTI-UHFFFAOYSA-N;135.13;0.67;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNa_SNa";;;;;;;0.87;;-2.22;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM430997;MM430997;CC1CC1CC1(C=O)CN1;CYQAEGBAKULHOG-UHFFFAOYSA-N;139.2;0.57;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC5_SP2";;;;;;;0.54;;-1.09;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM430998;MM430998;C=CC(C=NN=CC)=CC;XUPONLIHDWKTSE-UHFFFAOYSA-N;136.2;2.2;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_C1";;;;;;;2.08;;0.48;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM430999;MM430999;C#CC(=CC)C1OC1C#C;IKQRMNISXABDRA-UHFFFAOYSA-N;132.16;0.97;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4_SNa";;;;;;;2.2;;0.34;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM431000;MM431000;CN=c1nnc(=N)cno1;UOKURFJZJBDXFB-UHFFFAOYSA-N;139.12;-1.53;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP3_SP3";;;;;;;-3.07;;-6.15;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM431001;MM431001;CCC1(C#N)CC1CCO;WHUZKEOICHJPCH-UHFFFAOYSA-N;139.2;1.31;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC5_P1";;;;;;;0.81;;-0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM431002;MM431002;CC1CC1CC1(C#N)CN1;GCCXBSSRBJDLJB-UHFFFAOYSA-N;136.2;0.9;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC5_SP1";;;;;;;0.81;;-0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM431003;MM431003;N#CCc1nc(C=O)no1;CXEYUMQUMMXBEI-UHFFFAOYSA-N;137.1;-0.05;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP1_SNa";;;;;;;0.04;;-2.54;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM431004;MM431004;C=CC(C=NN=CC)=CF;MAFVAXAXHGLHJL-UHFFFAOYSA-N;140.16;2.1;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_C4";;;;;;;2.97;;0.45;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM431005;MM431005;C#CC(=CF)C1OC1C#C;ZTSULKFOHCOUBA-UHFFFAOYSA-N;136.13;0.87;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_SNa";;;;;;;1.64;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM431006;MM431006;CC(=NN)ONC(=N)CF;CRYDXBVYIPVAGF-UHFFFAOYSA-N;148.14;-0.25;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nd_P2";;;;;;;-0.24;;-3.16;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM431007;MM431007;C=CC1(CC2CC2N)CN1;VDTJORYCJYWZDR-UHFFFAOYSA-N;138.21;0.25;;;;;DOPC;MDCG;27;1;"MARTINI bead: SNd_SP1";;;;;;;0.04;;-5.27;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM431008;MM431008;CCC1(C#N)CC1CCF;LMWOPBITUMLCNS-UHFFFAOYSA-N;141.19;2.29;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC5_C5";;;;;;;2.41;;0.64;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM431009;MM431009;N#CCc1nc(C#N)no1;KMJQFBXIAKJUFL-UHFFFAOYSA-N;134.1;0.01;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNa_SNa";;;;;;;0.87;;-2.22;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM431010;MM431010;C=C(F)C(=O)N(C)N=CN;YARZEVWUCRFAIL-UHFFFAOYSA-N;145.14;-0.17;;;;;DOPC;MDCG;27;0;"MARTINI bead: P3_C5";;;;;;;-0.33;;-2.01;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM431011;MM431011;CC=NN=CC(C=O)=CC;ZAWKOGIOLHWNDE-UHFFFAOYSA-N;138.17;1.21;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_Na";;;;;;;1.64;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM431012;MM431012;N=c1cnoc(=NO)nn1;OZQVAZFNTZOTRN-UHFFFAOYSA-N;141.09;-1.77;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP2_SP3";;;;;;;-2.2;;-5.19;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM431013;MM431013;C=CC1(CN)CC1CCC;YQXZMMFBPRZROB-UHFFFAOYSA-N;139.24;1.94;;;;;DOPC;MDCG;27;1;"MARTINI bead: C3_SNd";;;;;;;2.57;;-1.17;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM431014;MM431014;C=CNC(C)=NN=CCF;VLPWGNKDIGZBIA-UHFFFAOYSA-N;143.17;1.09;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_C4";;;;;;;1.37;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM431015;MM431015;C#CCC1=CC(C=C)=CC1;PSSAURDWSMNNNN-UHFFFAOYSA-N;130.19;2.45;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC4_SC4";;;;;;;3.53;;0.53;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM431016;MM431016;CC=NN=CC(C#N)=CC;DGZKSTZQKAHERQ-UHFFFAOYSA-N;135.17;1.53;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_N0";;;;;;;1.94;;0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM431017;MM431017;C#CC(=NO)N1CC1C#C;YKDXIBPUUCJJNG-UHFFFAOYSA-N;134.14;-0.28;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_SP3";;;;;;;-2.2;;-5.19;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM431018;MM431018;CN=c1nnc(=O)cno1;GIFVEEGAFGOAHI-UHFFFAOYSA-N;140.1;-1.64;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP3_SP3";;;;;;;-3.07;;-6.15;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM431019;MM431019;C=CC1(CN)CC1CCN;JOZMTWLDRYHCQT-UHFFFAOYSA-N;140.23;0.49;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1_SNd";;;;;;;0.04;;-5.57;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM431020;MM431020;C=CC=NN=C(C)C=NN;KZOOWWBBBQWHQC-UHFFFAOYSA-N;138.17;0.56;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nd_N0";;;;;;;1.17;;-1.04;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM431021;MM431021;C#CCC1=CC(C=O)=CC1;XDCOKUKULXPICN-UHFFFAOYSA-N;132.16;1.47;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNa_SC4";;;;;;;2.2;;0.34;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM431022;MM431022;CC=NN=CC(C=O)=CN;YCNPXVQHMZUZGB-UHFFFAOYSA-N;139.16;0.1;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_P2";;;;;;;0.54;;-1.09;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM431023;MM431023;CC(=O)N(CC#N)N=CN;GURHGOMDURLEKG-UHFFFAOYSA-N;140.15;-0.74;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_P1";;;;;;;-0.79;;-3.13;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM431024;MM431024;NN=c1nnc(=O)cno1;RZOMSUKTLYCQRT-UHFFFAOYSA-N;141.09;-2.4;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP3_SP3";;;;;;;-3.07;;-6.15;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM431025;MM431025;C=CC1(CN)CC1CCO;NQDZPDXYZNPWJS-UHFFFAOYSA-N;141.21;0.52;;;;;DOPC;MDCG;27;1;"MARTINI bead: SNd_P1";;;;;;;0.04;;-5.07;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM431026;MM431026;O=CC1(CC2CC2F)CN1;IOKQYVNWJAUCHU-UHFFFAOYSA-N;143.16;0.28;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNa_SP2";;;;;;;-0.24;;-3.24;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM431027;MM431027;C#CCC1=CC(C#N)=CC1;BVDFNBRZCQPDDJ-UHFFFAOYSA-N;129.16;1.79;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC4_SN0";;;;;;;2.5;;0.44;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM431028;MM431028;C=CC(C)(O)CC1CC1;DTEIYMGAMDIUEK-UHFFFAOYSA-N;126.2;1.72;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda_SC5";;;;;;;1.64;;0.05;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM431029;MM431029;OCCNN=c1occo1;WDEMTYWEBFMOPL-UHFFFAOYSA-N;144.13;-0.73;;;;;DOPC;MDCG;27;0;"MARTINI bead: P3_SP2";;;;;;;-2.2;;-5.19;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM431030;MM431030;CN=c1nnc(=N)nco1;KROHKYXAUBGVBI-UHFFFAOYSA-N;139.12;-1.53;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP2_SP3";;;;;;;-2.2;;-5.19;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM431031;MM431031;C=CC1(CN)CC1CCF;QNDMWQXMKKEZNV-UHFFFAOYSA-N;143.21;1.5;;;;;DOPC;MDCG;27;1;"MARTINI bead: SNd_C5";;;;;;;1.64;;-2.34;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM431032;MM431032;C#CCc1cc(C=C)c[nH]1;FPTSPBHQOHVCCK-UHFFFAOYSA-N;131.18;1.83;;;;;DOPC;MDCG;27;0;"MARTINI bead: SN0_SNd";;;;;;;1.17;;-1.04;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM431033;MM431033;CC=NN=CC(C=O)=CF;HOXLJFPELOCZNE-UHFFFAOYSA-N;142.13;1.12;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_Na";;;;;;;1.64;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM431034;MM431034;N#CC1(CC2CC2F)CN1;COKYLGZHIYIANW-UHFFFAOYSA-N;140.16;0.6;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNa_SP2";;;;;;;-0.24;;-3.24;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM431035;MM431035;CCCON=c1occo1;ANBCFMAJYDTXDD-UHFFFAOYSA-N;143.14;1.11;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_SP2";;;;;;;-0.24;;-3.24;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM431036;MM431036;C=CC12CC3C(C1)C3(O)C2;LWSYZKUHQILWNZ-UHFFFAOYSA-N;136.19;1.33;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNda_SC1";;;;;;;2.91;;0.57;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM431037;MM431037;C#CCc1cc(C#N)c[nH]1;NNJHXGUYMTULOX-UHFFFAOYSA-N;130.15;1.06;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNd_SN0";;;;;;;1.17;;-1.04;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM431038;MM431038;C=NOCC(=NN)ON=C;QRSMZEJEOBQLIB-UHFFFAOYSA-N;144.13;-0.48;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda_P1";;;;;;;0.04;;-2.73;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM431039;MM431039;CC=NN=CC(C#N)=CF;VTMIQAHKBJMQOK-UHFFFAOYSA-N;139.13;1.44;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_Na";;;;;;;1.64;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM431040;MM431040;C=CC1(CC2CC2C)CO1;UYHOMIVMDBIWEE-UHFFFAOYSA-N;138.21;1.99;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC5_SNa";;;;;;;1.64;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM431041;MM431041;OCCON=c1occo1;KYWTXDUTOMBEBL-UHFFFAOYSA-N;145.11;-0.3;;;;;DOPC;MDCG;27;0;"MARTINI bead: P3_SP2";;;;;;;-2.2;;-5.19;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM431042;MM431042;C=CC1(CO)CC1CCN;APAQYPFYHAMYFI-UHFFFAOYSA-N;141.21;0.52;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1_SNda";;;;;;;0.04;;-5.5;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM431043;MM431043;C#CCc1cc(C=C)co1;SVBZIAUCDGHWDV-UHFFFAOYSA-N;132.16;2.1;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC5_SC5";;;;;;;2.41;;0.64;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM431044;MM431044;N=c1ncoc(=NO)nn1;KMVCBYRLMHGSHB-UHFFFAOYSA-N;141.09;-1.77;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP3_SP3";;;;;;;-3.07;;-6.15;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM431045;MM431045;CC1C=CCC1(C)CO;XDKVJDAPTBUZLQ-UHFFFAOYSA-N;126.2;1.58;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC4_SC5";;;;;;;2.97;;0.45;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM431046;MM431046;CC1CC1CC1(C=O)CO1;LQQBZOAAEWSNLI-UHFFFAOYSA-N;140.18;1;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC5_SP1";;;;;;;0.81;;-0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM431047;MM431047;COCON=c1occo1;UBLINJNBDFKNDC-UHFFFAOYSA-N;145.11;0.31;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_SP2";;;;;;;-1.34;;-4.31;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM431048;MM431048;N#CC(CF)CNCC=O;QGRSDHOSLAPQTL-UHFFFAOYSA-N;144.15;-0.12;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_P2";;;;;;;-0.24;;-3.24;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM431049;MM431049;C#CCc1cc(C=O)co1;HJGVFDFWJSJFHN-UHFFFAOYSA-N;134.13;1.27;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNa_SC5";;;;;;;1.64;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM431050;MM431050;CN=c1nnc(=O)nco1;JATFXRVZIZGFQS-UHFFFAOYSA-N;140.1;-1.64;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP3_SP3";;;;;;;-3.07;;-6.15;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM431051;MM431051;C=CC(C=NN=CC)=NO;VNKULEFPMWQDOJ-UHFFFAOYSA-N;139.16;1.08;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_Nda";;;;;;;1.64;;0.05;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM431052;MM431052;CC1CC1CC1(C#N)CO1;XSVCRRUFDYTCSR-UHFFFAOYSA-N;137.18;1.33;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC5_SNa";;;;;;;1.64;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM431053;MM431053;CN(C)C(C=CN)=NC=O;FYCRIXNNWBCSCO-UHFFFAOYSA-N;141.17;-0.42;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_P1";;;;;;;-0.79;;-3.13;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM431054;MM431054;N#CC1(CO)CC1CCF;KZZOJWQXSBEWTE-UHFFFAOYSA-N;143.16;0.87;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP1_C5";;;;;;;0.81;;-0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM431055;MM431055;C#CCc1cc(C#N)co1;QLPGAIMDMOLERH-UHFFFAOYSA-N;131.13;1.33;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC5_SN0";;;;;;;1.94;;0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM431056;MM431056;C#CC(O)(C(N)=O)C(=O)O;ZZYCGPXAKLAGRE-UHFFFAOYSA-N;143.1;-2.08;;;;;DOPC;MDCG;27;0;"MARTINI bead: P3_P1";;;;;;;-1.93;;-8.94;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM431057;MM431057;NN=c1nnc(=O)nco1;VUMBTNMIUBQHLK-UHFFFAOYSA-N;141.09;-2.4;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP3_SP3";;;;;;;-3.07;;-6.15;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM431058;MM431058;C=CC1(CC2CC2N)CO1;HKVOFSGTACTUDL-UHFFFAOYSA-N;139.2;0.68;;;;;DOPC;MDCG;27;1;"MARTINI bead: SP1_SNa";;;;;;;0.04;;-5.17;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM431059;MM431059;OCCNN=c1ocno1;ZSKNOOBIXIIYJY-UHFFFAOYSA-N;145.12;-1.33;;;;;DOPC;MDCG;27;0;"MARTINI bead: P3_SP2";;;;;;;-2.2;;-5.19;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM431060;MM431060;C=CC1(CC)CC1CNC;HRKHMEOSKFXGQO-UHFFFAOYSA-N;139.24;1.81;;;;;DOPC;MDCG;27;1;"MARTINI bead: SC3_P1";;;;;;;1.74;;-2.48;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM431061;MM431061;C#CCc1cc(C=C)no1;PUYUMAJYXABBAJ-UHFFFAOYSA-N;133.15;1.49;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNa_SN0";;;;;;;1.17;;-1.18;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM431062;MM431062;C#CC(C=CC=CC)=CC;MSUSOPNAIYKFOJ-UHFFFAOYSA-N;132.21;2.7;;;;;DOPC;MDCG;27;0;"MARTINI bead: C2_C4";;;;;;;4.16;;0.44;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM431063;MM431063;C=CC1(CC2CC2O)CO1;DHLDFNJHYHHBSK-UHFFFAOYSA-N;140.18;0.71;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP1_SNa";;;;;;;0.04;;-2.54;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM431064;MM431064;CN=c1nnc(=O)nno1;FGLZEFWODOYPRT-UHFFFAOYSA-N;141.09;-2.25;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP3_SP3";;;;;;;-3.07;;-6.15;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM431065;MM431065;CCCON=c1ocno1;JOBVEBVQQIXUIA-UHFFFAOYSA-N;144.13;0.51;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_SP2";;;;;;;-0.24;;-3.24;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM431066;MM431066;C#CC(C=CC=CF)=CC;CBZHJTCOTOIFLW-UHFFFAOYSA-N;136.17;2.61;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4_C4";;;;;;;3.53;;0.53;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM431067;MM431067;CCC1(C#N)CC1CNC;LETWKVITGVVPNI-UHFFFAOYSA-N;138.21;1.15;;;;;DOPC;MDCG;27;1;"MARTINI bead: SC5_P1";;;;;;;0.81;;-2.66;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM431068;MM431068;C#CCc1cc(C=O)no1;JFRGGKJAGPENHU-UHFFFAOYSA-N;135.12;0.66;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNa_SN0";;;;;;;1.17;;-1.18;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM431069;MM431069;NN=c1nnc(=O)nno1;GBYZDGZQQIYFOV-UHFFFAOYSA-N;142.08;-3.01;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP3_SP3";;;;;;;-3.07;;-6.15;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM431070;MM431070;O=CC1(CC2CC2O)CO1;KBXOTOKOWXSRSX-UHFFFAOYSA-N;142.15;-0.27;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP1_SP1";;;;;;;-0.79;;-3.13;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM431071;MM431071;COCON=c1ocno1;KTCZETJDZLSLJY-UHFFFAOYSA-N;146.1;-0.3;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_SP2";;;;;;;-1.34;;-4.31;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM431072;MM431072;C#CC(C=CC=CC)=CF;VYAFENFMLARSGY-UHFFFAOYSA-N;136.17;2.61;;;;;DOPC;MDCG;27;0;"MARTINI bead: C2_C5";;;;;;;3.6;;0.34;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM431073;MM431073;N#CC1(CC2CC2O)CO1;ANSGGWLXSDSEOU-UHFFFAOYSA-N;139.15;0.05;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP1_SNa";;;;;;;0.04;;-2.54;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM431074;MM431074;C=CC1(CN)CC1CNC;UJPUPLHWJHESNX-UHFFFAOYSA-N;140.23;0.36;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1_SNd";;;;;;;0.04;;-5.86;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM431075;MM431075;NC=C(CO)C(=O)O;UKCHBBXGKOHOHS-UHFFFAOYSA-N;117.1;-1.09;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_P1";;;;;;;-1.06;;-8.74;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM431076;MM431076;C#CCc1cc(C#N)no1;AIOCDXCDUZQSOQ-UHFFFAOYSA-N;132.12;0.72;;;;;DOPC;MDCG;27;0;"MARTINI bead: SN0_SNa";;;;;;;1.17;;-1.18;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM431077;MM431077;CCCNN=c1onno1;LZDULOFHRPEBFD-UHFFFAOYSA-N;144.13;-0.52;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nd_SP1";;;;;;;0.04;;-2.63;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM431078;MM431078;C#CC(C=CC=CF)=CF;WVIFMNRRNHXINL-UHFFFAOYSA-N;140.13;2.51;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4_C5";;;;;;;2.97;;0.45;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM431079;MM431079;C=CC1(CC2CC2F)CO1;HSYDGBXPACLYJZ-UHFFFAOYSA-N;142.17;1.69;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNa_SNa";;;;;;;0.87;;-2.22;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM431080;MM431080;C=CC1(CO)CC1CNC;IEJAGNUMJRFSKL-UHFFFAOYSA-N;141.21;0.39;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1_SNda";;;;;;;0.04;;-5.59;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM431081;MM431081;CN=c1ccoc(=O)cn1;HQTKEHYNKTYCPL-UHFFFAOYSA-N;138.13;-0.43;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP1_SNa";;;;;;;0.04;;-2.54;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM431082;MM431082;C#CCc1nc(C=C)co1;DVTARUGRRCHNLT-UHFFFAOYSA-N;133.15;1.49;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNa_SN0";;;;;;;1.17;;-1.18;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM431083;MM431083;NCCNN=c1onno1;RTTYMHLBWKTDEM-UHFFFAOYSA-N;145.12;-1.97;;;;;DOPC;MDCG;27;1;"MARTINI bead: P4_SP1";;;;;;;-2.01;;-6.43;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM431084;MM431084;C#CC(C=CC=NN)=CC;XENFFZXSFUFBLA-UHFFFAOYSA-N;134.18;1.07;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4_Nd";;;;;;;2.2;;0.32;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM431085;MM431085;O=CC1(CC2CC2F)CO1;WDKUUEVXFXDPGB-UHFFFAOYSA-N;144.15;0.7;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNa_SP1";;;;;;;0.04;;-2.54;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM431086;MM431086;C=CC1(CC)CC1COC;UWVQUPCABVOVSE-UHFFFAOYSA-N;140.23;2.24;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC3_P1";;;;;;;1.74;;0.29;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM431087;MM431087;C=NN=CC(=NN)ON=C;GLKWYKYDRBSBQS-UHFFFAOYSA-N;141.13;-0.42;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_N0";;;;;;;0.34;;-1.53;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM431088;MM431088;C#CCc1nc(C=O)co1;LEOBLTXUYMFOGO-UHFFFAOYSA-N;135.12;0.66;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP1_SN0";;;;;;;0.34;;-1.53;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM431089;MM431089;COCON=c1onno1;DHUGSGZLVRQLQC-UHFFFAOYSA-N;147.09;-0.9;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_SP1";;;;;;;-1.06;;-3.82;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM431090;MM431090;C#CC(C=CC=NO)=CC;BLKFHOYIHDYLQS-UHFFFAOYSA-N;135.17;1.58;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4_P1";;;;;;;1.37;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM431091;MM431091;C=CC1(CC2OC2C)CC1;IDKSILRFTGMTNY-UHFFFAOYSA-N;138.21;2.13;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNa_SC4";;;;;;;2.2;;0.34;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM431092;MM431092;CCC1(C=O)CC1COC;ZFAXNDYFGAUFEU-UHFFFAOYSA-N;142.2;1.25;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNa_Na";;;;;;;0.87;;-2.22;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM431093;MM431093;CN=c1cnoc(=O)cn1;HRAJCOVJRWGYKT-UHFFFAOYSA-N;139.11;-1.04;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP2_SP2";;;;;;;-1.34;;-4.31;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM431094;MM431094;C#CCc1nc(C#N)co1;GMCMKZOIZGQCJD-UHFFFAOYSA-N;132.12;0.72;;;;;DOPC;MDCG;27;0;"MARTINI bead: SN0_SNa";;;;;;;1.17;;-1.18;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM431095;MM431095;O=CCON=c1occo1;FVVVZWGCDHVLMS-UHFFFAOYSA-N;143.1;-0.1;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_SP2";;;;;;;-1.34;;-4.31;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM431096;MM431096;CC1OC1CC1(C=O)CC1;QKYNAMQEXMDDSW-UHFFFAOYSA-N;140.18;1.14;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNa_SNa";;;;;;;0.87;;-2.22;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM431097;MM431097;C#CC(C=CC=NN)=CF;FDPCGRPDRMLEKE-UHFFFAOYSA-N;138.15;0.97;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nd_C5";;;;;;;1.64;;0.02;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM431098;MM431098;CCC1(C#N)CC1COC;KWELDQAWGZNXMD-UHFFFAOYSA-N;139.2;1.57;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC5_P1";;;;;;;0.81;;-0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM431099;MM431099;CN=c1cc[nH]c(=O)nn1;UCYUGDPNJSOAAK-UHFFFAOYSA-N;138.13;-1.3;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP3_SP3";;;;;;;-3.07;;-6.15;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM431100;MM431100;C#CCc1nc(C=C)no1;FIFZJIDCCGMTQA-UHFFFAOYSA-N;134.14;0.89;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNa_SNa";;;;;;;0.87;;-2.22;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM431101;MM431101;N#CCON=c1occo1;XDYJLCYVRQZGHU-UHFFFAOYSA-N;140.1;0.23;;;;;DOPC;MDCG;27;0;"MARTINI bead: P3_SP2";;;;;;;-2.2;;-5.19;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM431102;MM431102;CC1OC1CC1(C#N)CC1;BOZFWCTVKXOKPB-UHFFFAOYSA-N;137.18;1.47;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNa_SN0";;;;;;;1.17;;-1.18;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM431103;MM431103;C#CC(C=CC=NO)=CF;CGAQSMCKPJWBTD-UHFFFAOYSA-N;139.13;1.49;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_C5";;;;;;;0.81;;-0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM431104;MM431104;NN=c1cc[nH]c(=O)nn1;FBNRBCHESWOWQA-UHFFFAOYSA-N;139.12;-2.06;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP3_SP3";;;;;;;-3.07;;-6.15;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM431105;MM431105;C=CC1(CN)CC1COC;GFILGLMDQWZZDV-UHFFFAOYSA-N;141.21;0.78;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1_SNd";;;;;;;0.04;;-5.07;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM431106;MM431106;C#CCc1nc(C=O)no1;YGCHJDVXRUNOGI-UHFFFAOYSA-N;136.11;0.06;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP1_SNa";;;;;;;0.04;;-2.54;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM431107;MM431107;CN=C(C=O)NOC(C)=O;HGTQOOAGQAGJRP-UHFFFAOYSA-N;144.13;-0.72;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_P2";;;;;;;-0.24;;-3.24;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM431108;MM431108;CC1OC1CC1(C=O)CN1;AYOXBESNXZUWOF-UHFFFAOYSA-N;141.17;-0.3;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNa_SP2";;;;;;;-0.24;;-3.24;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM431109;MM431109;C#CC(C=CC=CC)=NN;DARBNVMJZAFIEE-UHFFFAOYSA-N;134.18;1.07;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1_P1";;;;;;;2.08;;0.48;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM431110;MM431110;C=CC1(CO)CC1COC;LSBONEUUWRYVSP-UHFFFAOYSA-N;142.2;0.82;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_SNda";;;;;;;0.04;;-2.73;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM431111;MM431111;C#CCc1nc(C#N)no1;LDPBQKYDRFHIIU-UHFFFAOYSA-N;133.11;0.12;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNa_SNa";;;;;;;0.87;;-2.22;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM431112;MM431112;O=c1nnc(=NO)cc[nH]1;BQNGUNTUVBSCMU-UHFFFAOYSA-N;140.1;-1.55;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP3_SP3";;;;;;;-3.07;;-6.15;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM431113;MM431113;O=CCNN=c1ocno1;RLRBMJOKPWRITG-UHFFFAOYSA-N;143.1;-1.13;;;;;DOPC;MDCG;27;0;"MARTINI bead: P5_SP2";;;;;;;-2.22;;-6.53;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM431114;MM431114;CC1OC1CC1(C#N)CN1;GCANGNFEUHMUEZ-UHFFFAOYSA-N;138.17;0.03;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNa_SP2";;;;;;;-0.24;;-3.24;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM431115;MM431115;COCC1CC1(C=O)CO;SGRGGDXPXVHDLK-UHFFFAOYSA-N;144.17;-0.17;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_SP1";;;;;;;-0.79;;-3.13;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM431116;MM431116;C#CC(C=CC=CF)=NN;JVNDILPFBSDBNB-UHFFFAOYSA-N;138.15;0.97;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nd_C4";;;;;;;2.2;;0.32;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM431117;MM431117;C#CC1=CCC(CCC)=C1;PRUNIBNONPSLHU-UHFFFAOYSA-N;132.21;2.68;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC1_SC5";;;;;;;3.68;;0.46;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM431118;MM431118;CN=c1cn[nH]c(=O)nn1;BXVLQTYNLZGDTK-UHFFFAOYSA-N;139.12;-1.91;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP3_SP4";;;;;;;-3.15;;-6.87;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM431119;MM431119;O=CCON=c1ocno1;WLWDZXWPFHGSSJ-UHFFFAOYSA-N;144.09;-0.7;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_SP2";;;;;;;-1.34;;-4.31;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM431120;MM431120;C=CC1(CC2OC2C)CO1;YBKNRVIQRMNKGM-UHFFFAOYSA-N;140.18;1.12;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNa_SNa";;;;;;;0.87;;-2.22;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM431121;MM431121;C#CC(C=CC=CF)=NO;SZEYEKICXPPDDS-UHFFFAOYSA-N;139.13;1.49;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_C4";;;;;;;1.37;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM431122;MM431122;C#CC1=CCC(CCN)=C1;LPWNPJWMPVCNSA-UHFFFAOYSA-N;133.19;1.22;;;;;DOPC;MDCG;27;1;"MARTINI bead: SNd_SC5";;;;;;;1.64;;-2.65;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM431123;MM431123;COCC1CC1(C#N)CO;IRQJXAVDAZFOSA-UHFFFAOYSA-N;141.17;0.15;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_SP1";;;;;;;-0.79;;-3.13;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM431124;MM431124;CN=c1ccoc(=N)nn1;ISLDOTCNJVPWOX-UHFFFAOYSA-N;138.13;-0.92;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP2_SP2";;;;;;;-1.34;;-4.31;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM431125;MM431125;C=CCNN=c1onno1;IJBWHKCQIWJHAR-UHFFFAOYSA-N;142.12;-0.75;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_SP1";;;;;;;-0.79;;-3.13;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM431126;MM431126;CC1OC1CC1(C=O)CO1;SAMXHKFFQBLITG-UHFFFAOYSA-N;142.15;0.13;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNa_SP1";;;;;;;0.04;;-2.54;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM431127;MM431127;C#CC(C=NN=CC)=CC;BRHMQZFXKFWTGM-UHFFFAOYSA-N;134.18;1.64;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_C4";;;;;;;1.37;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM431128;MM431128;C#CC1=CCC(CNC)=C1;QFVFTPXZMUAYDD-UHFFFAOYSA-N;133.19;1.1;;;;;DOPC;MDCG;27;1;"MARTINI bead: SNd_SC5";;;;;;;1.64;;-2.4;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM431129;MM431129;COCC1CC1(C=O)CF;DXWHMSCYGSYYOL-UHFFFAOYSA-N;146.16;0.81;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_SNa";;;;;;;0.04;;-2.54;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM431130;MM431130;C=NN=C(NC)OCCF;QGZIWUSBEFUUMK-UHFFFAOYSA-N;147.15;0.16;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_C5";;;;;;;0.81;;-0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM431131;MM431131;C#CC1(C#C)CC(C)=NN1;CONZTGUKVIMVHK-UHFFFAOYSA-N;132.17;0.36;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP1_SNd";;;;;;;0.04;;-2.63;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM431132;MM431132;CC1OC1CC1(C#N)CO1;DJGZUXIBBCTLOI-UHFFFAOYSA-N;139.15;0.46;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNa_SP1";;;;;;;0.04;;-2.54;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM431133;MM431133;C#CC(C=NN=CC)=CN;KDTBLXXLSAPOCD-UHFFFAOYSA-N;135.17;0.54;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_P1";;;;;;;0.81;;-0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM431134;MM431134;C#CC1=CCC(OCC)=C1;TYADIMCLRFCEEC-UHFFFAOYSA-N;134.18;1.87;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC4_SC5";;;;;;;2.97;;0.45;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM431135;MM431135;C=CC1(NC)CC1CCC;QIJWVFGPGYCKLR-UHFFFAOYSA-N;139.24;1.95;;;;;DOPC;MDCG;27;1;"MARTINI bead: C3_SNd";;;;;;;2.57;;-0.93;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM431136;MM431136;C#CCON=c1occo1;NPUBWVZUWAVCRM-UHFFFAOYSA-N;139.11;0.34;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_SP2";;;;;;;-1.34;;-4.31;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM431137;MM431137;N=c1nnc(=NO)cco1;ZZWOYOODGLADHC-UHFFFAOYSA-N;140.1;-1.16;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP2_SP2";;;;;;;-1.34;;-4.31;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM431138;MM431138;C#CC(C=NN=CC)=CF;DAIOHMRIUFOUHI-UHFFFAOYSA-N;138.15;1.55;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_C5";;;;;;;2.41;;0.64;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM431139;MM431139;CN1CC1CC1(C=O)CC1;SRYZDMIKYAHTDX-UHFFFAOYSA-N;139.2;0.67;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP1_SNa";;;;;;;0.04;;-2.54;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM431140;MM431140;CN=c1ccoc(=O)nn1;FIJCITYTSITXMK-UHFFFAOYSA-N;139.11;-1.04;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP2_SP1";;;;;;;-1.06;;-3.82;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM431141;MM431141;C#Cc1c[nH]c(CCC)c1;SLIWNLZVLWCJPO-UHFFFAOYSA-N;133.19;1.95;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC4_SN0";;;;;;;2.5;;0.44;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM431142;MM431142;C=CC1(NC)CC1CCN;GXNXIWVNMCZQSZ-UHFFFAOYSA-N;140.23;0.5;;;;;DOPC;MDCG;27;1;"MARTINI bead: SNd_P1";;;;;;;0.04;;-5.51;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM431143;MM431143;C#CC(F)CON=CC=C;FUKUYLPWDFKTCY-UHFFFAOYSA-N;141.15;1.15;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_Na";;;;;;;1.64;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM431144;MM431144;CN1CC1CC1(C#N)CC1;VXOMEELAPJCRKH-UHFFFAOYSA-N;136.2;0.99;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNd_SN0";;;;;;;1.17;;-1.04;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM431145;MM431145;CN1C(=N)N=C(N)C1=O;ZBVMDLRWCXOKLO-UHFFFAOYSA-N;126.12;-1.25;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP2_SP3";;;;;;;-2.2;;-5.19;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM431146;MM431146;C#Cc1c[nH]c(CCN)c1;IBRJDXLABWNLFD-UHFFFAOYSA-N;134.18;0.5;;;;;DOPC;MDCG;27;1;"MARTINI bead: SNd_SN0";;;;;;;1.17;;-3.51;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM431147;MM431147;C#CCOC(=NN)C(F)F;LVAAASGIWCLOTJ-UHFFFAOYSA-N;148.11;0.17;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda_N0";;;;;;;1.17;;-1.13;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM431148;MM431148;C=CC1(NC)CC1CCO;QGHKAJMOBLRDDF-UHFFFAOYSA-N;141.21;0.53;;;;;DOPC;MDCG;27;1;"MARTINI bead: SNd_P1";;;;;;;0.04;;-4.54;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM431149;MM431149;C#CCON=c1ocno1;BYPFXJBGDYBQPY-UHFFFAOYSA-N;140.1;-0.27;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_SP2";;;;;;;-1.34;;-4.31;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM431150;MM431150;CN1CC1CC1(C#N)CN1;BGPGRJKMBCZGML-UHFFFAOYSA-N;137.19;-0.44;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP1_SP1";;;;;;;-0.79;;-3.13;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM431151;MM431151;C#CC(C=NN=CC)=NO;DZBSAAPPRWDNBE-UHFFFAOYSA-N;137.14;0.53;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_P1";;;;;;;0.81;;-0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM431152;MM431152;CC(=NN)OCOC=O;MMZJHKONRROKDP-UHFFFAOYSA-N;132.12;-0.57;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_Nd";;;;;;;-0.24;;-3.16;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM431153;MM431153;C=CC1(NC)CC1CCF;RYZBNUIOKPNNFR-UHFFFAOYSA-N;143.21;1.51;;;;;DOPC;MDCG;27;1;"MARTINI bead: SNd_C5";;;;;;;1.64;;-2.1;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM431154;MM431154;O=c1nnc(=NO)cco1;PAPMZKLKDOHOAF-UHFFFAOYSA-N;141.09;-1.28;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP2_SP2";;;;;;;-1.34;;-4.31;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM431155;MM431155;C=NNC=NCC(=C)OC;QNULYGYCFJFQPV-UHFFFAOYSA-N;141.17;0.38;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_P2";;;;;;;0.54;;-1.09;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM431156;MM431156;CN1CC1CC1(C=O)CO1;DUSHQAAQVCDPLI-UHFFFAOYSA-N;141.17;-0.34;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNd_SP2";;;;;;;-0.24;;-3.16;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM431157;MM431157;CC#CC=CC(=CC)CC;UOAJCGSFMHIGCB-UHFFFAOYSA-N;134.22;2.92;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1_C4";;;;;;;4.24;;0.42;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM431158;MM431158;CN=c1cnoc(=N)nn1;RESIWKZCMCSJBH-UHFFFAOYSA-N;139.12;-1.53;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP3_SP3";;;;;;;-3.07;;-6.15;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM431159;MM431159;C#Cc1coc(CCC)c1;BLSUZCJWBGUIJC-UHFFFAOYSA-N;134.18;2.21;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC3_SN0";;;;;;;2.87;;0.37;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM431160;MM431160;CCCC1CC1(C#N)NC;RKFAYWLASZMULK-UHFFFAOYSA-N;138.21;1.29;;;;;DOPC;MDCG;27;0;"MARTINI bead: C3_SP1";;;;;;;1.74;;0.3;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM431161;MM431161;C#CC(=N)NN=CC#CC;WCVMMHLPLAXLNL-UHFFFAOYSA-N;133.15;0.2;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4_P2";;;;;;;1.09;;-0.37;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM431162;MM431162;CN1CC1CC1(C#N)CO1;BIBBQKRCHSWBSV-UHFFFAOYSA-N;138.17;-0.02;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP1_SNa";;;;;;;0.04;;-2.54;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM431163;MM431163;CC#CC=CC(=CF)CC;GFQFCEWYGJNAFX-UHFFFAOYSA-N;138.19;2.83;;;;;DOPC;MDCG;27;0;"MARTINI bead: C2_C4";;;;;;;4.16;;0.44;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM431164;MM431164;Cc1c(F)c(=NN)on1C;IHWREVAZPCFEKI-UHFFFAOYSA-N;145.14;-0.16;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNa_SP2";;;;;;;-0.24;;-3.24;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM431165;MM431165;C#Cc1coc(NCC)c1;LQVYAVAYBVBKRD-UHFFFAOYSA-N;135.17;1.69;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC5_SN0";;;;;;;1.94;;0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM431166;MM431166;C=CC(C#N)CNCC=O;IIBPDWCPIFLMLY-UHFFFAOYSA-N;138.17;0.1;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_P5";;;;;;;-0.34;;-3.42;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM431167;MM431167;ON=CNN=c1occo1;JCFSWONACZEWRI-UHFFFAOYSA-N;143.1;-0.3;;;;;DOPC;MDCG;27;0;"MARTINI bead: P3_SP2";;;;;;;-2.2;;-5.19;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM431168;MM431168;CC1CN1CC1(C=O)CC1;CVOYHSJMBJMISQ-UHFFFAOYSA-N;139.2;0.67;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNd_SNa";;;;;;;0.87;;-1.88;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM431169;MM431169;N=c1nnc(=NO)cno1;NQMAXVZYVIQXLO-UHFFFAOYSA-N;141.09;-1.77;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP3_SP2";;;;;;;-2.2;;-5.19;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM431170;MM431170;CC#CC=CC(=CC)CN;XDJCRCRDEZGIIH-UHFFFAOYSA-N;135.21;1.47;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_C4";;;;;;;2.2;;-1.63;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM431171;MM431171;C#Cc1cc(CCC)on1;QJTJMSWTRCCPHP-UHFFFAOYSA-N;135.17;1.61;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC5_SNa";;;;;;;1.64;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM431172;MM431172;CNC1(C#N)CC1CCF;PEKWDKQCYXAGQF-UHFFFAOYSA-N;142.18;0.85;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP1_C5";;;;;;;0.81;;-0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM431173;MM431173;C=C(C#N)C=NNC=NC;YPPWYYZWTRANAM-UHFFFAOYSA-N;136.16;0.3;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_N0";;;;;;;0.34;;-1.53;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM431174;MM431174;CC1CN1CC1(C#N)CC1;ZPKMTCCWQOXQGI-UHFFFAOYSA-N;136.2;0.99;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNd_SN0";;;;;;;1.17;;-1.04;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM431176;MM431176;CN=c1cnoc(=O)nn1;GPMGXUBKWMIBBY-UHFFFAOYSA-N;140.1;-1.64;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP3_SP3";;;;;;;-3.07;;-6.15;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM431175;MM431175;CC#CC=CC(=CF)CN;ZEZKPKHTIOBEOX-UHFFFAOYSA-N;139.17;1.38;;;;;DOPC;MDCG;27;1;"MARTINI bead: C4_P1";;;;;;;1.37;;-2.07;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM431177;MM431177;C=CC1(NC)CC1CNC;OUYGPZQRRDCHRT-UHFFFAOYSA-N;140.23;0.37;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1_SNd";;;;;;;0.04;;-5.48;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM431178;MM431178;C#Cc1cc(CCN)on1;UMHXYMYMPOUAHT-UHFFFAOYSA-N;136.15;0.16;;;;;DOPC;MDCG;27;1;"MARTINI bead: SNd_SNa";;;;;;;0.87;;-3.83;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM431179;MM431179;CC1CN1CC1(C=O)CN1;DBIZZMPKZLAUED-UHFFFAOYSA-N;140.19;-0.77;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNd_SP2";;;;;;;-0.24;;-3.16;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM431180;MM431180;C=CC(=O)N(CC)N=CN;CWFHJWNSOUSZEQ-UHFFFAOYSA-N;141.17;-0.08;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_Na";;;;;;;0.04;;-2.54;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM431181;MM431181;CC#CC=CC(=CC)CO;FWJCPIXGZSBKQQ-UHFFFAOYSA-N;136.19;1.5;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_C4";;;;;;;2.97;;0.45;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM431182;MM431182;CNCC1CC1(C#N)NC;TVYXTPVZKYMNHA-UHFFFAOYSA-N;139.2;-0.29;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1_SP1";;;;;;;-0.79;;-4.93;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM431183;MM431183;Cc1c(F)c(=NN)on1N;BUAHUSORJAFTMQ-UHFFFAOYSA-N;146.13;-0.98;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNa_SP2";;;;;;;-0.24;;-3.24;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM431184;MM431184;C=NOCOC(C)=NN;YDZYAZHIODNPAU-UHFFFAOYSA-N;131.14;-0.12;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda_P1";;;;;;;0.04;;-2.73;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM431185;MM431185;CC1CN1CC1(C#N)CN1;QFHFUTNQRMBARG-UHFFFAOYSA-N;137.19;-0.44;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNd_SP2";;;;;;;-0.24;;-3.16;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM431186;MM431186;C=NNC=NC(CC)CF;SHKWHTWPNWKBMV-UHFFFAOYSA-N;145.18;0.97;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4_P2";;;;;;;1.09;;-0.38;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM431187;MM431187;CC#CC=CC(=CF)CO;MTPLPFXZUSPWKB-UHFFFAOYSA-N;140.16;1.41;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4_Nda";;;;;;;2.2;;0.49;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM431188;MM431188;O=c1nnc(=NO)cno1;AQICBSRAQQAGQJ-UHFFFAOYSA-N;142.07;-1.89;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP3_SP3";;;;;;;-3.07;;-6.15;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM431189;MM431189;C=CC1(NC)CC1COC;UWFPPEFNPWDIHA-UHFFFAOYSA-N;141.21;0.8;;;;;DOPC;MDCG;27;1;"MARTINI bead: SNd_Na";;;;;;;0.87;;-3.86;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM431190;MM431190;C#Cc1n[nH]c(NCC)n1;FNRMTSXMMCVVLK-UHFFFAOYSA-N;136.16;0.22;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNda_SP1";;;;;;;0.04;;-2.73;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM431191;MM431191;C=CC1(CN2CC2C)CO1;DBGHWFBELSNPNY-UHFFFAOYSA-N;139.2;0.65;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNd_SNa";;;;;;;0.87;;-1.88;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM431192;MM431192;ON=CNN=c1ocno1;RLXMXWHGUVMDCU-UHFFFAOYSA-N;144.09;-0.91;;;;;DOPC;MDCG;27;0;"MARTINI bead: P3_SP2";;;;;;;-2.2;;-5.19;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM431193;MM431193;CC#CC=CC(=CC)CF;LSPXPTAOSDXMAH-UHFFFAOYSA-N;138.19;2.48;;;;;DOPC;MDCG;27;0;"MARTINI bead: C3_C4";;;;;;;3.9;;0.47;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM431194;MM431194;CC(CC(=O)O)C(=O)C#N;HNPWMUOYFKORCW-UHFFFAOYSA-N;141.13;0.19;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_Na";;;;;;;0.04;;-7.71;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM431195;MM431195;CNC1(C#N)CC1COC;DEKPNBXHZMGLBV-UHFFFAOYSA-N;140.19;0.13;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP1_P1";;;;;;;-0.79;;-3.13;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM431196;MM431196;C#Cc1coc(CCC)n1;GBVBESDQURZUNK-UHFFFAOYSA-N;135.17;1.61;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC5_SNa";;;;;;;1.64;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM431197;MM431197;C#CCn1ccc(NN)n1;KHVWFZTUWBBJKU-UHFFFAOYSA-N;136.16;-0.2;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP1_SNa";;;;;;;0.04;;-2.54;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM431198;MM431198;CC1CN1CC1(C=O)CO1;DZTRZDDRTHCTEN-UHFFFAOYSA-N;141.17;-0.34;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNd_SP2";;;;;;;-0.24;;-3.16;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM431199;MM431199;CC#CC=CC(CC)=NN;FIYFCOYLTRCNFZ-UHFFFAOYSA-N;136.2;1.29;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_C4";;;;;;;2.97;;0.45;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM431200;MM431200;N#CC(C=O)=CCC(=O)O;BSFHZLLUVGWWDG-UHFFFAOYSA-N;139.11;0.11;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_Na";;;;;;;0.04;;-7.71;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM431201;MM431201;C=CC1(OC)CC1CCC;BPWYPTSNYUBEBY-UHFFFAOYSA-N;140.23;2.38;;;;;DOPC;MDCG;27;0;"MARTINI bead: C3_SNa";;;;;;;2.57;;0.45;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM431202;MM431202;C#Cc1coc(NCC)n1;KQTOCUABQHGTJU-UHFFFAOYSA-N;136.15;1.09;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNd_SNa";;;;;;;0.87;;-1.88;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM431203;MM431203;CCn1ncc(N)cc1=O;BITQJUXPZRCEDG-UHFFFAOYSA-N;139.16;-0.15;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP1_SP1";;;;;;;-0.79;;-3.13;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM431204;MM431204;CC1CN1CC1(C#N)CO1;ASJSLKHBTBAPRS-UHFFFAOYSA-N;138.17;-0.02;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNd_SP1";;;;;;;0.04;;-2.63;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM431205;MM431205;C#Cc1noc(CCC)n1;FGRMOYCJLDNXLM-UHFFFAOYSA-N;136.15;1;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNa_SP1";;;;;;;0.04;;-2.54;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM431206;MM431206;C=CC1(OC)CC1CCN;RBCPBZYALKAGHH-UHFFFAOYSA-N;141.21;0.93;;;;;DOPC;MDCG;27;1;"MARTINI bead: SNa_P1";;;;;;;0.04;;-5.31;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM431207;MM431207;CC#CC=CC(CC)=NO;HPQDWUYQAGZCSE-UHFFFAOYSA-N;137.18;1.81;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda_C4";;;;;;;2.2;;0.49;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM431208;MM431208;Cc1[nH]nc(C)c(=O)c1F;PNVHHAQXKRJHIH-UHFFFAOYSA-N;142.13;0.53;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNda_SP2";;;;;;;-0.24;;-8.2;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM431209;MM431209;C=Cn1ncc(N)cc1=O;SBIVSVIJFYZHKJ-UHFFFAOYSA-N;137.14;-0.07;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP1_SP1";;;;;;;-0.79;;-3.13;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM431210;MM431210;C#CC1(CC2CC2C)CC1;IGNVUQCQQUECRX-UHFFFAOYSA-N;134.22;2.45;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC5_SC5";;;;;;;2.41;;0.64;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM431211;MM431211;C=CC1(OC)CC1CCO;JIJAIJHLPRAGDD-UHFFFAOYSA-N;142.2;0.96;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNa_P1";;;;;;;0.04;;-2.54;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM431212;MM431212;C#CC1=CCC(CC=C)=C1;UUILUZIXFPQPKF-UHFFFAOYSA-N;130.19;2.45;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC4_SC5";;;;;;;2.97;;0.45;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM431213;MM431213;CC#CC=CC(=NC)NC;LTHCMZLFASJNQX-UHFFFAOYSA-N;136.2;0.81;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_C4";;;;;;;2.2;;-3.17;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM431214;MM431214;CN=c1ncoc(=N)nn1;VFCDWSOXBNKBCC-UHFFFAOYSA-N;139.12;-1.53;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP3_SP2";;;;;;;-2.2;;-5.19;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM431215;MM431215;C#CCC=NNC=NC=C;AUKOXDRZNATCRY-UHFFFAOYSA-N;135.17;0.76;;;;;DOPC;MDCG;27;0;"MARTINI bead: N0_Nd";;;;;;;1.17;;-1.04;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM431216;MM431216;C#CC1(CC2CC2N)CC1;OQZHIVYGCAGCKV-UHFFFAOYSA-N;135.21;1.14;;;;;DOPC;MDCG;27;1;"MARTINI bead: SNd_SC5";;;;;;;1.64;;-2.54;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM431217;MM431217;C#CC1=CCC(CC=O)=C1;RHJFLCAXLCPPTM-UHFFFAOYSA-N;132.16;1.47;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNa_SC5";;;;;;;1.64;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM431218;MM431218;COC1(C#N)CC1CCF;MKCIZJGMHBIQNP-UHFFFAOYSA-N;143.16;1.27;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNa_C5";;;;;;;1.64;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM431219;MM431219;CC#CC=CC(=CC)OC;RBHCUUXVLKRXBD-UHFFFAOYSA-N;136.19;2.12;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_C4";;;;;;;2.97;;0.45;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM431220;MM431220;C=Cc1[nH]c(C)c(N)c1N;SIBMULKUSDLFCM-UHFFFAOYSA-N;137.19;1.13;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNd_SP1";;;;;;;0.04;;-2.63;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM431221;MM431221;CCC=NN=c1occo1;ZKRWEAOLWAKRNK-UHFFFAOYSA-N;140.14;1.17;;;;;DOPC;MDCG;27;0;"MARTINI bead: N0_SP2";;;;;;;0.06;;-2.21;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM431222;MM431222;C#CC=NN=C(C)C=NN;PVEKDHNZTGKANY-UHFFFAOYSA-N;136.16;0.01;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_C4";;;;;;;1.37;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM431223;MM431223;C#CC1=CCC(CC#N)=C1;AMCFIBPIICWAII-UHFFFAOYSA-N;129.16;1.79;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC5_SN0";;;;;;;1.94;;0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM431224;MM431224;C=CC1(OC)CC1COC;KSOUYWMXQIWHKO-UHFFFAOYSA-N;142.2;1.22;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_SNa";;;;;;;0.04;;-2.54;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM431225;MM431225;CC#CC=CC(=CF)OC;RBCQQCDMRKRFRA-UHFFFAOYSA-N;140.16;2.02;;;;;DOPC;MDCG;27;0;"MARTINI bead: N0_C4";;;;;;;2.5;;0.44;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM431226;MM431226;CN=c1ncoc(=O)nn1;XCZUICXNJYMYLJ-UHFFFAOYSA-N;140.1;-1.64;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP3_SP2";;;;;;;-2.2;;-5.19;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM431227;MM431227;NCC=NN=c1occo1;HAUXCLDLUOVRMW-UHFFFAOYSA-N;141.13;-0.28;;;;;DOPC;MDCG;27;1;"MARTINI bead: P4_SP2";;;;;;;-2.29;;-7.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM431228;MM431228;C#CC1(CC2CC2F)CC1;WYFRGOYDJWSRKO-UHFFFAOYSA-N;138.19;2.15;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNa_SC5";;;;;;;1.64;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM431229;MM431229;C#CC1=CCC(NC=N)=C1;VPOWUERUCLWNIP-UHFFFAOYSA-N;132.17;1.03;;;;;DOPC;MDCG;27;1;"MARTINI bead: SNd_SC5";;;;;;;1.64;;-3.23;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM431230;MM431230;CCNC1CC1(C=O)CC;CXUAHHONUABEGK-UHFFFAOYSA-N;141.21;0.96;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_SNa";;;;;;;0.87;;-4.15;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM431231;MM431231;NN=c1ncoc(=O)nn1;KBVLSGOAGIKBRP-UHFFFAOYSA-N;141.09;-2.4;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP3_SP3";;;;;;;-3.07;;-6.15;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM431232;MM431232;CCC(C#N)NCC=O;VXEZSKFVKLWGOK-UHFFFAOYSA-N;126.16;0.08;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda_P2";;;;;;;-0.24;;-3.31;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM431233;MM431233;OCC=NN=c1occo1;KXQMEZNVEUEAFN-UHFFFAOYSA-N;142.11;-0.25;;;;;DOPC;MDCG;27;0;"MARTINI bead: P3_SP2";;;;;;;-2.2;;-5.19;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM431234;MM431234;N=c1cc[nH]c(=NN)nc1;CGLZBTJTMFGVLN-UHFFFAOYSA-N;137.15;-1.34;;;;;DOPC;MDCG;27;1;"MARTINI bead: SP1_SP2";;;;;;;-1.06;;-5.98;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM431235;MM431235;C#CC1=CCC(NC=O)=C1;XGQKJYJCGFLKST-UHFFFAOYSA-N;133.15;0.58;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNda_SC5";;;;;;;1.64;;0.05;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM431236;MM431236;C=CC1(CN)CC1NCC;VISXRLQOUSXBKC-UHFFFAOYSA-N;140.23;0.5;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_SNd";;;;;;;0.87;;-4.62;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM431237;MM431237;C#CC1(NC2CC2C)CC1;YPKURVXKPBGGPI-UHFFFAOYSA-N;135.21;1.15;;;;;DOPC;MDCG;27;1;"MARTINI bead: SC5_SNd";;;;;;;1.64;;-1.34;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM431238;MM431238;CC#CC=CC(=NO)OC;YTWAHVTYBPTLRT-UHFFFAOYSA-N;139.15;1;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda_C4";;;;;;;2.2;;0.49;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM431239;MM431239;FCC=NN=c1occo1;HVMVBMZCICBZLY-UHFFFAOYSA-N;144.11;0.73;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_SP2";;;;;;;-1.34;;-4.31;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM431240;MM431240;N=c1cc[nH]c(=NO)nc1;BFHIPXQVXACQHI-UHFFFAOYSA-N;138.13;-0.82;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP1_SP2";;;;;;;-1.06;;-3.82;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM431241;MM431241;C=CC1(NC)CC1NCC;WDEDIMXRVMYUMX-UHFFFAOYSA-N;140.23;0.51;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_SNd";;;;;;;0.87;;-4.05;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM431242;MM431242;C#CC1=CCC(OC=C)=C1;BVPWOUOQQYATLX-UHFFFAOYSA-N;132.16;1.99;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC5_SC5";;;;;;;2.41;;0.64;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM431243;MM431243;C#CC1(NC2CC2N)CC1;WSZSPNQKICBELA-UHFFFAOYSA-N;136.2;-0.16;;;;;DOPC;MDCG;27;1;"MARTINI bead: SP1_SNd";;;;;;;0.04;;-4.46;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM431244;MM431244;C=CC(C=CC#CC)=CC;JXDKOGRMUNPINJ-UHFFFAOYSA-N;132.21;2.7;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1_C4";;;;;;;4.24;;0.42;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM431245;MM431245;COC=NN=c1occo1;GYZQYAGAGPLQPG-UHFFFAOYSA-N;142.11;0.36;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_SP2";;;;;;;-1.06;;-3.82;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM431246;MM431246;COc1cn(C)oc1=NN;IILLJGBDHAWGNF-UHFFFAOYSA-N;143.15;-0.6;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNa_SP2";;;;;;;-0.24;;-3.24;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM431247;MM431247;C=CC1(CC)CC1OCC;OMWRNUYCYBSJLY-UHFFFAOYSA-N;140.23;2.38;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_SC3";;;;;;;2.57;;0.45;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM431248;MM431248;C#Cc1c[nH]c(CC=C)c1;JAPGKBRURZPDSO-UHFFFAOYSA-N;131.18;1.72;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC5_SN0";;;;;;;1.94;;0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM431249;MM431249;C#CC1(OC2CC2C)CC1;ZKHMLYFFHGSMSO-UHFFFAOYSA-N;136.19;1.58;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNa_SC5";;;;;;;1.64;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM431250;MM431250;C=CC(C=CC#CC)=CF;WFSMTNLDXTZISG-UHFFFAOYSA-N;136.17;2.61;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4_C2";;;;;;;4.16;;0.44;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM431251;MM431251;CCC=NN=c1ocno1;ATYBIWURJNHRCK-UHFFFAOYSA-N;141.13;0.56;;;;;DOPC;MDCG;27;0;"MARTINI bead: N0_SP2";;;;;;;0.06;;-2.21;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM431252;MM431252;CCCC1CCC(CC)C1;ZTQCWRZJWGMGCH-UHFFFAOYSA-N;140.27;3.61;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC1_SC1";;;;;;;4.95;;0.69;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM431253;MM431253;CCOC1CC1(C#N)CC;MKDZDSAZURKHRQ-UHFFFAOYSA-N;139.2;1.72;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_SC5";;;;;;;1.64;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM431254;MM431254;C#CC1(OC2CC2N)CC1;AXLJVDBWYYZJHU-UHFFFAOYSA-N;137.18;0.27;;;;;DOPC;MDCG;27;1;"MARTINI bead: SP2_SC5";;;;;;;0.54;;-2.92;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM431255;MM431255;C#Cc1c[nH]c(CC=O)c1;DICCMDRSTIHRPD-UHFFFAOYSA-N;133.15;0.74;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNda_SN0";;;;;;;1.17;;-1.13;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM431256;MM431256;NCC=NN=c1ocno1;BSKZZDFAZCPYNV-UHFFFAOYSA-N;142.12;-0.89;;;;;DOPC;MDCG;27;1;"MARTINI bead: P4_SP2";;;;;;;-2.29;;-7.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM431257;MM431257;CC#CC=CC(C=O)=CC;RFUKOHJEBHJLLJ-UHFFFAOYSA-N;134.18;1.71;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_C4";;;;;;;2.2;;0.34;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM431258;MM431258;C=CC1(CN)CC1OCC;KTVJOUKGYBMOLM-UHFFFAOYSA-N;141.21;0.93;;;;;DOPC;MDCG;27;1;"MARTINI bead: Na_SNd";;;;;;;0.87;;-4.26;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM431259;MM431259;CCC1CCC(CCN)C1;MRIAGFIVLDZFHT-UHFFFAOYSA-N;141.26;2.16;;;;;DOPC;MDCG;27;1;"MARTINI bead: SC1_SC5";;;;;;;3.68;;0.56;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM431260;MM431260;C#Cc1c[nH]c(CC#N)c1;PDTMOAVHIWPAAQ-UHFFFAOYSA-N;130.15;1.06;;;;;DOPC;MDCG;27;0;"MARTINI bead: SN0_SNd";;;;;;;1.17;;-1.04;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM431261;MM431261;C#CC1(CC2CC2C)CN1;VUTOWBDRCWFXLG-UHFFFAOYSA-N;135.21;1.01;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC5_SP1";;;;;;;0.81;;-0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM431262;MM431262;OCC=NN=c1ocno1;COBUOJCGIVYWGW-UHFFFAOYSA-N;143.1;-0.85;;;;;DOPC;MDCG;27;0;"MARTINI bead: P3_SP2";;;;;;;-2.2;;-5.19;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM431263;MM431263;CC#CC=CC(C#N)=CC;FTLUOBCNSZPAJH-UHFFFAOYSA-N;131.18;2.04;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_C4";;;;;;;2.97;;0.45;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM431264;MM431264;C=CC1(CO)CC1OCC;LRZJNJVEDXXBGP-UHFFFAOYSA-N;142.2;0.96;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_SNda";;;;;;;0.87;;-1.99;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM431265;MM431265;NCCC1CCC(CN)C1;HPOAVHNSZPIHTH-UHFFFAOYSA-N;142.25;0.71;;;;;DOPC;MDCG;27;1;"MARTINI bead: SC5_SC5";;;;;;;2.41;;-0.77;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM431266;MM431266;C#Cc1c[nH]c(NC=N)c1;ZFUSOHWHBIIZIH-UHFFFAOYSA-N;133.15;1.01;;;;;DOPC;MDCG;27;1;"MARTINI bead: SP1_SN0";;;;;;;0.34;;-3.94;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM431267;MM431267;C#CC1(CC2CC2N)CN1;JTRCEWCCEWVMBR-UHFFFAOYSA-N;136.2;-0.3;;;;;DOPC;MDCG;27;1;"MARTINI bead: SP1_SP1";;;;;;;-0.79;;-5.77;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM431268;MM431268;FCC=NN=c1ocno1;OBYZWZFQSHUNEQ-UHFFFAOYSA-N;145.09;0.12;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_SP2";;;;;;;-1.34;;-4.31;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM431269;MM431269;CC#CC=CC(C=O)=CN;OPTWMSGWSQLRDW-UHFFFAOYSA-N;135.17;0.61;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4_P1";;;;;;;1.37;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM431270;MM431270;COc1cn(N)oc1=NN;QODXUMQXSNEUCQ-UHFFFAOYSA-N;144.13;-1.42;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNa_SP2";;;;;;;-0.24;;-3.24;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM431271;MM431271;CCOC1CC1(C#N)CO;HVWKHDWNORJKLD-UHFFFAOYSA-N;141.17;0.3;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_SP1";;;;;;;0.04;;-2.54;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM431272;MM431272;C=NN=C(C=NN)CCC;CDQNMNQYDLCVCE-UHFFFAOYSA-N;140.19;0.79;;;;;DOPC;MDCG;27;0;"MARTINI bead: C3_P1";;;;;;;1.74;;0.29;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM431273;MM431273;C#Cc1c[nH]c(OC=C)c1;JSWMWZVTEVWSAX-UHFFFAOYSA-N;133.15;1.52;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNda_SN0";;;;;;;1.17;;-1.13;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM431274;MM431274;COC=NN=c1ocno1;YKMNWZOIGYMGTL-UHFFFAOYSA-N;143.1;-0.24;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_SP2";;;;;;;-1.06;;-3.82;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM431275;MM431275;CC#CC=CC(C#N)=CN;XJUCDHFNYUHVCD-UHFFFAOYSA-N;132.17;0.93;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4_P1";;;;;;;1.37;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM431276;MM431276;CCOC1CC1(C#N)CF;GCUXSWQKFONRPK-UHFFFAOYSA-N;143.16;1.27;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_SNa";;;;;;;0.87;;-2.22;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM431277;MM431277;C#CC1(CC2CC2F)CN1;HOGMVYZBPLZUCE-UHFFFAOYSA-N;139.17;0.71;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNa_SP1";;;;;;;0.04;;-2.54;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM431278;MM431278;NCCC1CCC(CO)C1;JEOXCHOIXBDUAA-UHFFFAOYSA-N;143.23;0.74;;;;;DOPC;MDCG;27;1;"MARTINI bead: SC5_SC5";;;;;;;2.41;;-0.48;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM431279;MM431279;C#Cc1coc(CC=C)c1;LGJSUUBTYSUEGT-UHFFFAOYSA-N;132.16;1.99;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC5_SN0";;;;;;;1.94;;0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM431280;MM431280;CCC=NN=c1onno1;WUSXQJMSUAGKRO-UHFFFAOYSA-N;142.12;-0.04;;;;;DOPC;MDCG;27;0;"MARTINI bead: N0_SP1";;;;;;;0.34;;-1.53;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM431281;MM431281;CC#CC=CC(C=O)=CF;XKHGTAIWNOLZJY-UHFFFAOYSA-N;138.14;1.62;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4_Na";;;;;;;2.2;;0.34;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM431282;MM431282;C=CC1(NC)CC1OCC;MHBICBGBALDPLP-UHFFFAOYSA-N;141.21;0.94;;;;;DOPC;MDCG;27;1;"MARTINI bead: Na_SNd";;;;;;;0.87;;-3.15;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM431283;MM431283;C#Cc1coc(CC#N)c1;CDARJEVTMSQEHJ-UHFFFAOYSA-N;131.13;1.33;;;;;DOPC;MDCG;27;0;"MARTINI bead: SN0_SN0";;;;;;;1.47;;-0.05;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM431284;MM431284;C#CC1(CC2CC2C)CO1;MCEUFOGPVIMVDD-UHFFFAOYSA-N;136.19;1.43;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC5_SNa";;;;;;;1.64;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM431285;MM431285;CCCC1CCC(CF)C1;KBZIARXGBTYLMW-UHFFFAOYSA-N;144.23;3.17;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC1_SC3";;;;;;;4.61;;0.31;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM431286;MM431286;NCC=NN=c1onno1;OSYROUNYADRSAA-UHFFFAOYSA-N;143.11;-1.49;;;;;DOPC;MDCG;27;1;"MARTINI bead: P4_SP1";;;;;;;-2.01;;-6.24;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM431287;MM431287;CC#CC=CC(C#N)=CF;YCLDJAVJLUUWQY-UHFFFAOYSA-N;135.14;1.94;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4_Na";;;;;;;2.2;;0.34;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM431288;MM431288;CCOC1CC1(C#N)NC;LXZQBCJCEQFTSQ-UHFFFAOYSA-N;140.19;0.28;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_SP1";;;;;;;0.04;;-2.54;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM431289;MM431289;C#CC1(CC2CC2O)CO1;NPRCCVPTPMRTKZ-UHFFFAOYSA-N;138.17;0.16;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP1_SNa";;;;;;;0.04;;-2.54;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM431290;MM431290;C#Cc1coc(NC=N)c1;ZSUSWAZOWPAMPL-UHFFFAOYSA-N;134.14;1.28;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNd_SN0";;;;;;;1.17;;-1.04;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM431291;MM431291;NCCC1CCC(CF)C1;BLEITLKBTXFRFW-UHFFFAOYSA-N;145.22;1.72;;;;;DOPC;MDCG;27;1;"MARTINI bead: SC5_SC3";;;;;;;3.34;;0.34;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM431292;MM431292;OCC=NN=c1onno1;BXUWGNLNCUIIER-UHFFFAOYSA-N;144.09;-1.46;;;;;DOPC;MDCG;27;0;"MARTINI bead: P3_SP1";;;;;;;-1.93;;-4.72;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM431293;MM431293;C=CC(C=CC#CC)=NN;XARMRYLJHAONAY-UHFFFAOYSA-N;134.18;1.07;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4_C5";;;;;;;2.97;;0.45;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM431294;MM431294;C=CC1(CC)NC1CCN;CSXOFHAEKJMNQC-UHFFFAOYSA-N;140.23;0.64;;;;;DOPC;MDCG;27;1;"MARTINI bead: SNd_P1";;;;;;;0.04;;-5.08;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM431295;MM431295;C#CC1(CC2CC2F)CO1;SBTJRWWJIWTBAM-UHFFFAOYSA-N;140.16;1.14;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNa_SNa";;;;;;;0.87;;-2.22;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM431296;MM431296;C#Cc1coc(OC=C)c1;VLRFGBHJKVZDDN-UHFFFAOYSA-N;134.13;1.78;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC5_SN0";;;;;;;1.94;;0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM431297;MM431297;CNCC1CCC(CN)C1;CEIMMYWRWRRLNQ-UHFFFAOYSA-N;142.25;0.58;;;;;DOPC;MDCG;27;1;"MARTINI bead: SC5_SC5";;;;;;;2.41;;-1.05;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM431298;MM431298;FCC=NN=c1onno1;VFFJEAFNTBMHHV-UHFFFAOYSA-N;146.08;-0.48;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_SP1";;;;;;;-1.06;;-3.82;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM431299;MM431299;C=CC(C=CC#CC)=NO;BIBYKGNEYMORRL-UHFFFAOYSA-N;135.17;1.58;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4_Nda";;;;;;;2.2;;0.49;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM431300;MM431300;CCCC1NC1(C#N)CC;CVDLUSBJTTYTNM-UHFFFAOYSA-N;138.21;1.43;;;;;DOPC;MDCG;27;0;"MARTINI bead: C3_SP1";;;;;;;1.74;;0.29;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM431301;MM431301;C#CC1(CC2OC2C)CC1;ZAGQITIQTXFKGA-UHFFFAOYSA-N;136.19;1.58;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNa_SC5";;;;;;;1.64;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM431302;MM431302;C#Cc1cc(CC=C)on1;CLLLNJYWUHLJGD-UHFFFAOYSA-N;133.15;1.38;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC5_SNa";;;;;;;1.64;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM431303;MM431303;CCCC1CCC(NC)C1;OSGKTYGYQWAERI-UHFFFAOYSA-N;141.26;2.17;;;;;DOPC;MDCG;27;1;"MARTINI bead: SC1_SNd";;;;;;;2.91;;-0.97;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM431304;MM431304;COC=NN=c1onno1;NIUIMZJSYLFFMK-UHFFFAOYSA-N;144.09;-0.85;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_SP1";;;;;;;-0.79;;-3.13;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM431305;MM431305;C#CC(C=CC#CC)=CC;YRAJNMAQBSWFNI-UHFFFAOYSA-N;130.19;2.15;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4_C4";;;;;;;3.53;;0.53;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM431306;MM431306;C=COCOC(=NN)OC;IIZKTDNFTXQFLE-UHFFFAOYSA-N;146.15;;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_Na";;;;;;;-0.24;;-3.24;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM431307;MM431307;C#CC1(CC2OC2C)CN1;OEYXXKIUYQJUCN-UHFFFAOYSA-N;137.18;0.14;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNa_SP3";;;;;;;-1.1;;-4.2;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM431308;MM431308;C#Cc1cc(CC#N)on1;ZRXUOTSUIPEZAM-UHFFFAOYSA-N;132.12;0.72;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNa_SN0";;;;;;;1.17;;-1.18;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM431309;MM431309;CNC1CCC(CCN)C1;MYYGLCCBSLHKGU-UHFFFAOYSA-N;142.25;0.72;;;;;DOPC;MDCG;27;1;"MARTINI bead: SNd_SC5";;;;;;;1.64;;-3.25;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM431310;MM431310;O=CC=NN=c1occo1;JJGOXJNEKGQFQD-UHFFFAOYSA-N;140.1;-0.04;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_SP2";;;;;;;-1.34;;-4.31;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM431311;MM431311;CCC1(C=O)NC1CCF;XAZDMGHTYZIVCV-UHFFFAOYSA-N;145.18;0.67;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP1_C5";;;;;;;0.81;;-0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM431312;MM431312;C#CC(C=CC#CC)=CF;JKCICLCURVFDNP-UHFFFAOYSA-N;134.15;2.05;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4_C5";;;;;;;2.97;;0.45;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM431313;MM431313;C#CC1(CC2OC2C)CO1;LOGRVPLZNHTGGH-UHFFFAOYSA-N;138.17;0.57;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNa_SNa";;;;;;;0.87;;-2.22;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM431314;MM431314;CCCC1CCC(OC)C1;TYDOVWWWURFNBS-UHFFFAOYSA-N;142.24;2.6;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC1_SC5";;;;;;;3.68;;0.46;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM431315;MM431315;C#Cc1cc(OC=C)on1;YXYWJGGCSMMLJX-UHFFFAOYSA-N;135.12;1.18;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNa_SNa";;;;;;;0.87;;-2.22;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM431316;MM431316;C#CC(C=CC#CC)=NN;WYMHMGBOBKDODU-UHFFFAOYSA-N;132.17;0.51;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4_Nd";;;;;;;2.2;;0.32;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM431317;MM431317;N#CC=NN=c1occo1;IMLRSRPXVLIRIA-UHFFFAOYSA-N;137.1;0.28;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_SP2";;;;;;;-1.06;;-3.82;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM431318;MM431318;CCC1(C#N)NC1CCF;ZMYOJZZETWQTOK-UHFFFAOYSA-N;142.18;0.99;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP1_C5";;;;;;;0.81;;-0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM431319;MM431319;CCNC1CCC(CC)C1;BSXWSHKLBGPOQF-UHFFFAOYSA-N;141.26;2.17;;;;;DOPC;MDCG;27;1;"MARTINI bead: SC5_SC1";;;;;;;3.68;;0.46;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM431320;MM431320;CC(=NN)OCC=CF;JDHMJDWFDKTLMY-UHFFFAOYSA-N;132.14;0.78;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_C4";;;;;;;1.09;;-0.38;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM431321;MM431321;C#CC1(CN2CC2C)CN1;QUNCIBYYNZBHGJ-UHFFFAOYSA-N;136.2;-0.33;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNd_SP3";;;;;;;-1.1;;-3.93;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM431322;MM431322;O=CC=NN=c1ocno1;SPYLDTYNJHYLGS-UHFFFAOYSA-N;141.09;-0.65;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_SP2";;;;;;;-1.34;;-4.31;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM431323;MM431323;C=CC1(CN)NC1CCC;UPWZGNBARZWOBL-UHFFFAOYSA-N;140.23;0.64;;;;;DOPC;MDCG;27;1;"MARTINI bead: C3_SP2";;;;;;;1.46;;-1.96;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM431324;MM431324;C#CC(C=CC#CC)=NO;CAGDHBJCCGTZLV-UHFFFAOYSA-N;133.15;1.03;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4_Nda";;;;;;;2.2;;0.49;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM431325;MM431325;C#Cc1c[nH]c(OC=C)n1;OIWXJRCAKPMNDP-UHFFFAOYSA-N;134.14;0.91;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNda_SNda";;;;;;;0.87;;-2.07;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM431326;MM431326;CCNC1CCC(CN)C1;KTUGRAFJFBWKPZ-UHFFFAOYSA-N;142.25;0.72;;;;;DOPC;MDCG;27;1;"MARTINI bead: SC5_SC5";;;;;;;2.41;;-1.09;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM431327;MM431327;C#CC1(CN2CC2C)CO1;PGRKZGCMNGVQPK-UHFFFAOYSA-N;137.18;0.09;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNd_SNa";;;;;;;0.87;;-1.88;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM431328;MM431328;C=CC1(CN)NC1CCN;LWKLFCRTGRARIF-UHFFFAOYSA-N;141.22;-0.81;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1_SP2";;;;;;;-1.06;;-6.37;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM431329;MM431329;N#CC=NN=c1ocno1;LGPRKXSRPYVAOZ-UHFFFAOYSA-N;138.09;-0.32;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_SP2";;;;;;;-1.06;;-3.82;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM431330;MM431330;CC(=NN)OCC=NN;CGLNKLUXZSTVCV-UHFFFAOYSA-N;130.15;-0.76;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_Nd";;;;;;;-0.24;;-3.16;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM431331;MM431331;CCCC#CC(CC)CC;QXUVFKLHDXNICB-UHFFFAOYSA-N;138.25;3.23;;;;;DOPC;MDCG;27;0;"MARTINI bead: C3_C1";;;;;;;4.61;;0.31;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM431332;MM431332;CCNC1CCC(CO)C1;YCKKGBJSHSNRQF-UHFFFAOYSA-N;143.23;0.76;;;;;DOPC;MDCG;27;1;"MARTINI bead: SC5_SC5";;;;;;;2.41;;-0.7;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM431333;MM431333;CC(N)C1CC1C1(N)CC1;OTIAMJHYZBDQGK-UHFFFAOYSA-N;140.23;0.46;;;;;DOPC;MDCG;27;1;"MARTINI bead: SNd_SP1";;;;;;;0.04;;-5.89;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM431334;MM431334;C=CC1(CN)NC1CCO;UJMWKCCKOKRBRO-UHFFFAOYSA-N;142.2;-0.78;;;;;DOPC;MDCG;27;1;"MARTINI bead: SP2_P1";;;;;;;-1.06;;-5.75;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM431335;MM431335;C=CC=NN=c1onno1;IGLHCCZLHCOSFO-UHFFFAOYSA-N;140.1;-0.26;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_SP1";;;;;;;-0.79;;-3.13;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM431336;MM431336;CCC(C#CCCN)CC;FWKBBGDFWVKZLX-UHFFFAOYSA-N;139.24;1.77;;;;;DOPC;MDCG;27;1;"MARTINI bead: C1_Nd";;;;;;;2.91;;-0.24;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM431337;MM431337;C#Cc1coc(CC=C)n1;VBMHLADJPFMPJF-UHFFFAOYSA-N;133.15;1.38;;;;;DOPC;MDCG;27;0;"MARTINI bead: SN0_SNa";;;;;;;1.17;;-1.18;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM431338;MM431338;CCNC1CCC(CF)C1;BYXPTMXMORZILV-UHFFFAOYSA-N;145.22;1.73;;;;;DOPC;MDCG;27;1;"MARTINI bead: SC5_SC3";;;;;;;3.34;;-0.03;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM431339;MM431339;CC(C)C1CC1C1(F)CC1;MLRVJNWDYZJJBA-UHFFFAOYSA-N;142.22;2.78;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC4_SNa";;;;;;;2.2;;0.34;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM431340;MM431340;CCC(C#CCCO)CC;XSABEFXSUMIMPX-UHFFFAOYSA-N;140.23;1.81;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1_Nda";;;;;;;2.91;;0.57;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM431341;MM431341;C=CC1(CN)NC1CCF;RASLEFVGHRYUEU-UHFFFAOYSA-N;144.19;0.2;;;;;DOPC;MDCG;27;1;"MARTINI bead: SP2_C5";;;;;;;0.54;;-3.01;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM431342;MM431342;O=CC=NN=c1onno1;RSSANGNOEVXYLR-UHFFFAOYSA-N;142.07;-1.25;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_SP1";;;;;;;-1.06;;-3.82;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM431343;MM431343;CCNC1CCC(NC)C1;AWEFOFGAUDTMPY-UHFFFAOYSA-N;142.25;0.74;;;;;DOPC;MDCG;27;1;"MARTINI bead: SC5_SNd";;;;;;;1.64;;-3.1;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM431344;MM431344;C#Cc1coc(CC#N)n1;IZJRRWPQLLOAQH-UHFFFAOYSA-N;132.12;0.72;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNa_SN0";;;;;;;1.17;;-1.18;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM431345;MM431345;CC(C)C1CC1C1(C)CO1;OSULLWCATBTUNI-UHFFFAOYSA-N;140.23;2.07;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC4_SNa";;;;;;;2.2;;0.34;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM431346;MM431346;CCC(C#CCCF)CC;CSEPGPBZLOBDOR-UHFFFAOYSA-N;142.22;2.79;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1_Na";;;;;;;2.91;;0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM431347;MM431347;CCNC1CCC(OC)C1;JKHFIDCJHDNKCS-UHFFFAOYSA-N;143.23;1.16;;;;;DOPC;MDCG;27;1;"MARTINI bead: SC5_SC5";;;;;;;2.41;;-0.76;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM431348;MM431348;C#CCCOC(=NN)OC;VVCUDDVYVSUGIS-UHFFFAOYSA-N;142.16;-0.1;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_C5";;;;;;;0.54;;-1.09;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM431349;MM431349;N#CC=NN=c1onno1;QXDCQPLNWVEXIV-UHFFFAOYSA-N;139.07;-0.93;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_SP1";;;;;;;-0.79;;-3.13;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM431350;MM431350;CC#CCOC(C)=NN;WLHCLOGDQDFCHP-UHFFFAOYSA-N;126.16;0.32;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4_P2";;;;;;;1.09;;-0.38;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM431351;MM431351;C=C(C)C1CC1C1(C)CC1;UCUMBOZMPCHBKM-UHFFFAOYSA-N;136.24;3;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC4_SC5";;;;;;;2.97;;0.45;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM431352;MM431352;CCCC#CC(CC)CN;PHKPYXCBXRKXDQ-UHFFFAOYSA-N;139.24;1.77;;;;;DOPC;MDCG;27;1;"MARTINI bead: C3_Nd";;;;;;;2.57;;-1.18;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM431353;MM431353;CC=CCOC(=NN)OC;IWOFZQMXDXQARV-UHFFFAOYSA-N;144.17;0.46;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_C4";;;;;;;1.37;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM431354;MM431354;CCCC1CNC(CC)C1;VZZKGRVCMIEKGZ-UHFFFAOYSA-N;141.26;2.17;;;;;DOPC;MDCG;27;1;"MARTINI bead: SC5_SNd";;;;;;;1.64;;-4.09;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM431355;MM431355;CC#CC#CC1=CCCC1;NOAYYBOASHWIJU-UHFFFAOYSA-N;130.19;2.12;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC1_SC5";;;;;;;3.68;;0.46;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM431356;MM431356;C#Cc1noc(CC=C)n1;YLADDETVDCXLPR-UHFFFAOYSA-N;134.14;0.78;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNa_SP1";;;;;;;0.04;;-2.54;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM431357;MM431357;C=C(C)C1CC1C1(N)CC1;BZEXCCOUGXIBJU-UHFFFAOYSA-N;137.23;1.69;;;;;DOPC;MDCG;27;1;"MARTINI bead: SC4_SP1";;;;;;;1.37;;-2.83;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM431358;MM431358;CCC(C#CCCO)CN;DMKWTNKYSSHSIF-UHFFFAOYSA-N;141.21;0.36;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_Nda";;;;;;;0.87;;-4.37;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM431359;MM431359;C=CC1(CC)NC1CNC;FBPFBEORDMXQSS-UHFFFAOYSA-N;140.23;0.51;;;;;DOPC;MDCG;27;1;"MARTINI bead: SNd_P1";;;;;;;0.04;;-4.77;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM431360;MM431360;CCCC1CNC(CN)C1;UXLKRPOOOAROOR-UHFFFAOYSA-N;142.25;0.72;;;;;DOPC;MDCG;27;1;"MARTINI bead: SC5_SP1";;;;;;;0.81;;-4.09;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM431361;MM431361;C#Cc1noc(CC#N)n1;UXJLYUUROVXACD-UHFFFAOYSA-N;133.11;0.12;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP1_SNa";;;;;;;0.04;;-2.54;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM431362;MM431362;CC#CC#CC1=COCC1;ONNUWVDHCBMWPG-UHFFFAOYSA-N;132.16;1.32;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC4_SNa";;;;;;;2.2;;0.34;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM431363;MM431363;C=CCC(C=NN)=NN=C;IBFUXOLXDBDGCL-UHFFFAOYSA-N;138.17;0.56;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_C5";;;;;;;0.81;;-0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM431364;MM431364;CCC(C#CCCF)CN;VYEILHQCBMXTHQ-UHFFFAOYSA-N;143.21;1.33;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_Na";;;;;;;0.87;;-4.34;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM431365;MM431365;CCC1(C#N)NC1CNC;GHTJOXQAXSQZCQ-UHFFFAOYSA-N;139.2;-0.15;;;;;DOPC;MDCG;27;1;"MARTINI bead: SP1_P1";;;;;;;-0.79;;-4.25;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM431366;MM431366;CCCC1CNC(CO)C1;NYWJJILBMFBDLX-UHFFFAOYSA-N;143.23;0.76;;;;;DOPC;MDCG;27;1;"MARTINI bead: SC5_SP1";;;;;;;0.81;;-3.94;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM431367;MM431367;CC#CC#CC1=CCNC1;FHIYZKVXEBFPRI-UHFFFAOYSA-N;131.18;0.54;;;;;DOPC;MDCG;27;1;"MARTINI bead: SC5_SNd";;;;;;;1.64;;-2.35;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM431368;MM431368;C=C(C)C1CC1C1(C)CO1;ZVZFYHYDYNUDQU-UHFFFAOYSA-N;138.21;1.99;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC4_SNa";;;;;;;2.2;;0.34;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM431369;MM431369;CCC=COC(C)=NN;WLMCOBVINWIWMO-UHFFFAOYSA-N;128.18;1.22;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_Nd";;;;;;;1.64;;0.02;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM431370;MM431370;CCC1(CO)CC=CC1;HWIYKMUVADYSKE-UHFFFAOYSA-N;126.2;1.73;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC5_SC5";;;;;;;2.41;;0.64;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM431371;MM431371;C=CC1(CN)NC1CNC;KRYHRENWJYFGSF-UHFFFAOYSA-N;141.22;-0.94;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1_SP2";;;;;;;-1.06;;-6.16;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM431372;MM431372;CCNC1CNC(CC)C1;VUFAZQGNQLGZKA-UHFFFAOYSA-N;142.25;0.74;;;;;DOPC;MDCG;27;1;"MARTINI bead: SP1_SNd";;;;;;;0.04;;-5.85;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM431373;MM431373;CC(=N)N1CC1C1(C)CC1;FOEWZGKMNDOXBQ-UHFFFAOYSA-N;138.21;1.47;;;;;DOPC;MDCG;27;1;"MARTINI bead: SP1_SC5";;;;;;;0.81;;-4.36;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM431374;MM431374;CC#CC#CC1=CCOC1;GGSSNTTUXZKGMS-UHFFFAOYSA-N;132.16;0.97;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC4_SNa";;;;;;;2.2;;0.34;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM431375;MM431375;C#CCC1=CC(C#C)=CC1;MBHFFBQYFKEEBM-UHFFFAOYSA-N;128.17;1.9;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC4_SC5";;;;;;;2.97;;0.45;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM431376;MM431376;CCC(C#CCCN)CO;QOXPKLQZCDJYKL-UHFFFAOYSA-N;141.21;0.36;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nda_Nd";;;;;;;0.87;;-4.36;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM431377;MM431377;CC(C)(N1CC1)C1(N)CC1;AFWLFYLYCZAXPF-UHFFFAOYSA-N;140.23;0.57;;;;;DOPC;MDCG;27;1;"MARTINI bead: SNd_SP1";;;;;;;0.04;;-4.8;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM431378;MM431378;CCCC1COC(CC)C1;POHOPGJPXPKQSX-UHFFFAOYSA-N;142.24;2.6;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC4_SC5";;;;;;;2.97;;0.45;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM431379;MM431379;C=CC1(CC)NC1COC;OPCGMCJBMDFBHK-UHFFFAOYSA-N;141.21;0.94;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNd_P1";;;;;;;0.04;;-2.63;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM431380;MM431380;CC#CC#CC1=NNCC1;MRQNLZFAIFPZQP-UHFFFAOYSA-N;132.17;0.36;;;;;DOPC;MDCG;27;0;"MARTINI bead: SN0_SP1";;;;;;;0.34;;-1.53;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM431381;MM431381;C#CCc1cc(C#C)c[nH]1;YXWIWDZNLRDBCB-UHFFFAOYSA-N;129.16;1.17;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNd_SN0";;;;;;;1.17;;-1.04;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM431382;MM431382;C#CC1(C(O)CC)CC1;XQEOBGOIAQYURX-UHFFFAOYSA-N;124.18;1.17;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda_SC5";;;;;;;1.64;;0.05;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM431383;MM431383;CCC12CC1C1(C)CC2N1;WRCYAFXARFBMPW-UHFFFAOYSA-N;137.23;1.54;;;;;DOPC;MDCG;27;1;"MARTINI bead: SC3_SNd";;;;;;;2.57;;-1.51;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM431384;MM431384;CCC1CC(CCN)CO1;SUHNSBKVSWKAGO-UHFFFAOYSA-N;143.23;1.15;;;;;DOPC;MDCG;27;1;"MARTINI bead: SC5_SP1";;;;;;;0.81;;-3.26;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM431385;MM431385;CC#CC#CC1=CC=CC1;SREIBWOXHINQEZ-UHFFFAOYSA-N;128.17;1.9;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC3_SC5";;;;;;;3.34;;0.48;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM431386;MM431386;CCC1(C=O)NC1COC;PPTJQTMOXZRHIY-UHFFFAOYSA-N;143.19;-0.05;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP1_P1";;;;;;;-0.79;;-3.13;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM431387;MM431387;C#CCc1cc(C#C)co1;IHTOVAKKLXKFQX-UHFFFAOYSA-N;130.15;1.44;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC5_SN0";;;;;;;1.94;;0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM431388;MM431388;CCCC#CC(CC)CF;BMYWZEABITWIIN-UHFFFAOYSA-N;142.22;2.79;;;;;DOPC;MDCG;27;0;"MARTINI bead: C3_C4";;;;;;;3.9;;0.47;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM431389;MM431389;NCC12NC1C1(N)CC2C1;GREVNBSMXBCKHZ-UHFFFAOYSA-N;139.2;-1.22;;;;;DOPC;MDCG;27;1;"MARTINI bead: SP2_SNd";;;;;;;-0.24;;-5.58;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM431390;MM431390;CCCC1COC(CN)C1;WOKOUBSYSIZFFE-UHFFFAOYSA-N;143.23;1.15;;;;;DOPC;MDCG;27;1;"MARTINI bead: SC4_SP1";;;;;;;1.37;;-2.02;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM431391;MM431391;CC#CC#CC1=NN=CC1;HBLQURQQMQOTDH-UHFFFAOYSA-N;130.15;0.84;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC4_SN0";;;;;;;2.5;;0.44;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM431392;MM431392;C#CCc1cc(C#C)no1;QICHOUNTCIIXRX-UHFFFAOYSA-N;131.13;0.83;;;;;DOPC;MDCG;27;0;"MARTINI bead: SN0_SNa";;;;;;;1.17;;-1.18;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM431393;MM431393;CCC(C#CCCF)CF;NIYDPBVMRHBJJK-UHFFFAOYSA-N;146.18;2.35;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4_Na";;;;;;;2.2;;0.34;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM431394;MM431394;CCC1(C#N)NC1COC;MHEILFMLISEZHA-UHFFFAOYSA-N;140.19;0.28;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP1_P1";;;;;;;-0.79;;-3.13;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM431395;MM431395;NC12CC(C1)C1(CO)NC21;VNJJBIJFKHQODT-UHFFFAOYSA-N;140.19;-1.19;;;;;DOPC;MDCG;27;1;"MARTINI bead: SNd_SP2";;;;;;;-0.24;;-5.11;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM431396;MM431396;NCCC1COC(CN)C1;PDJLBIPPWMZYMG-UHFFFAOYSA-N;144.22;-0.3;;;;;DOPC;MDCG;27;1;"MARTINI bead: SP1_SP1";;;;;;;-0.79;;-5.99;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM431397;MM431397;C#CCc1nc(C#C)co1;HEQDFOZCXZQXKX-UHFFFAOYSA-N;131.13;0.83;;;;;DOPC;MDCG;27;0;"MARTINI bead: SN0_SNa";;;;;;;1.17;;-1.18;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM431398;MM431398;CC#CC#Cc1ccc[nH]1;VWHNVOPWPUGUJY-UHFFFAOYSA-N;129.16;1.39;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC4_SN0";;;;;;;2.5;;0.44;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM431399;MM431399;C=CC1(CN)NC1COC;YCQUEMNRPVHJIH-UHFFFAOYSA-N;142.2;-0.51;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1_SP2";;;;;;;-1.06;;-5.75;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM431400;MM431400;CCCC#CC(CN)CN;KMLARMLCRSOAOW-UHFFFAOYSA-N;140.23;0.32;;;;;DOPC;MDCG;27;1;"MARTINI bead: C3_P3";;;;;;;0.6;;-3.13;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM431401;MM431401;NCC12NC1C1(O)CC2C1;QCLWPXBQKLBQEL-UHFFFAOYSA-N;140.19;-1.19;;;;;DOPC;MDCG;27;1;"MARTINI bead: SP2_SNda";;;;;;;-0.24;;-4.99;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM431402;MM431402;CCCC1COC(CO)C1;IMIZPWQHTVHOMK-UHFFFAOYSA-N;144.21;1.18;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC4_SP1";;;;;;;1.37;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM431403;MM431403;C#CCc1nc(C#C)no1;YUOMSNUKSLIFNQ-UHFFFAOYSA-N;132.12;0.23;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNa_SP1";;;;;;;0.04;;-2.54;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM431404;MM431404;C=C1C=NNC1=N;ABGDDRQSRDQIRA-UHFFFAOYSA-N;95.11;0.11;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP1_SP1";;;;;;;-0.79;;-3.13;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM431405;MM431405;C=CC1(CC)OC1CCC;QKAVGKVAOIRRJY-UHFFFAOYSA-N;140.23;2.52;;;;;DOPC;MDCG;27;0;"MARTINI bead: C3_SNa";;;;;;;2.57;;0.45;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM431406;MM431406;NCCC#CC(CN)CN;JDYBXHLTUIROJT-UHFFFAOYSA-N;141.22;-1.13;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_P3";;;;;;;-1.1;;-6.62;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM431407;MM431407;CCC12NC1C1(F)CC2C1;QRLIWZNBNXVXMH-UHFFFAOYSA-N;141.19;1.24;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNd_SC5";;;;;;;1.64;;0.03;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM431408;MM431408;CCCC1CC(CC)CN1;BKAGIJBIPFPSJU-UHFFFAOYSA-N;141.26;2.17;;;;;DOPC;MDCG;27;1;"MARTINI bead: SC5_SN0";;;;;;;1.94;;-2.96;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM431409;MM431409;CC=CC1=CC(CC)=CC1;PRUKLOATNSHMFH-UHFFFAOYSA-N;134.22;3.23;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC3_SC3";;;;;;;4.27;;0.2;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM431410;MM431410;NCC(C#CCCO)CN;HIOMYMULRPEUFV-UHFFFAOYSA-N;142.2;-1.09;;;;;DOPC;MDCG;27;1;"MARTINI bead: P3_Nda";;;;;;;-1.1;;-6.34;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM431411;MM431411;CC(=NN)C(F)(F)F;ZBDUTZMCNYPZLS-UHFFFAOYSA-N;126.08;0.88;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nd_N0";;;;;;;1.17;;-1.04;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM431412;MM431412;C=CC1(CC)OC1CCN;NKCFXXGEVISHNU-UHFFFAOYSA-N;141.21;1.07;;;;;DOPC;MDCG;27;1;"MARTINI bead: SNa_P1";;;;;;;0.04;;-5.25;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM431413;MM431413;NCC12NC1C1(F)CC2C1;FKNILFNRXBTOEK-UHFFFAOYSA-N;142.18;-0.21;;;;;DOPC;MDCG;27;1;"MARTINI bead: SP2_SC5";;;;;;;0.54;;-3.05;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM431414;MM431414;CC#CC#CC1=CCC=C1;NKERXVYDXSNYCS-UHFFFAOYSA-N;128.17;1.9;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC3_SC5";;;;;;;3.34;;0.48;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM431415;MM431415;CCC1CNC(CCN)C1;XSNSDFMWDHFAQK-UHFFFAOYSA-N;142.25;0.72;;;;;DOPC;MDCG;27;1;"MARTINI bead: SN0_SP1";;;;;;;0.34;;-5.38;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM431416;MM431416;CC=CC1=CC(CN)=CC1;SFEVGKOSGIOFMC-UHFFFAOYSA-N;135.21;1.78;;;;;DOPC;MDCG;27;1;"MARTINI bead: SC3_SNd";;;;;;;2.57;;-0.93;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM431417;MM431417;NCC(C#CCCF)CO;FHDLYZSKEDTRDB-UHFFFAOYSA-N;145.18;-0.08;;;;;DOPC;MDCG;27;1;"MARTINI bead: P2_Na";;;;;;;-0.24;;-5.32;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM431418;MM431418;C=CC1(CC)OC1CCO;KIZFDESMUZJKIT-UHFFFAOYSA-N;142.2;1.1;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNa_P1";;;;;;;0.04;;-2.54;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM431419;MM431419;CCC12OC1C1(C)CC2C1;VBJRTRYWTWUKEB-UHFFFAOYSA-N;138.21;1.96;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNa_SC4";;;;;;;2.2;;0.34;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM431420;MM431420;CC=CC1=CC(CO)=CC1;YAPKYWCCXNNPEA-UHFFFAOYSA-N;136.19;1.81;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC3_SNda";;;;;;;2.57;;0.44;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM431421;MM431421;CC#CC#Cc1cc[nH]c1;DFNOOEIZNALVCZ-UHFFFAOYSA-N;129.16;1.39;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC4_SNd";;;;;;;2.2;;0.32;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM431422;MM431422;CCCC1CC(CN)CN1;OTHVJYYYNBZXND-UHFFFAOYSA-N;142.25;0.72;;;;;DOPC;MDCG;27;1;"MARTINI bead: SC5_SP2";;;;;;;0.54;;-4.89;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM431423;MM431423;C=CC1(CC)OC1CCF;KJAWRBQDLSDFNI-UHFFFAOYSA-N;144.19;2.08;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNa_C5";;;;;;;1.64;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM431424;MM431424;CCCC#CC(CN)CF;WKTZWVXBTOYZHQ-UHFFFAOYSA-N;143.21;1.33;;;;;DOPC;MDCG;27;1;"MARTINI bead: C3_P1";;;;;;;1.74;;-1.7;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM431425;MM431425;CC12CC(C1)C1(CN)OC21;FRXBOYAYVOPGFU-UHFFFAOYSA-N;139.2;0.51;;;;;DOPC;MDCG;27;1;"MARTINI bead: SC4_SP2";;;;;;;1.09;;-2.37;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM431426;MM431426;CC=CC1=CC(CF)=CC1;PWQZSFVRWKOEMV-UHFFFAOYSA-N;138.19;2.79;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC3_SC5";;;;;;;3.34;;0.48;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM431427;MM431427;NCCC1CC(CN)CN1;MWVGHHBDSJKUTP-UHFFFAOYSA-N;143.23;-0.73;;;;;DOPC;MDCG;27;1;"MARTINI bead: SP1_SP2";;;;;;;-1.06;;-7.33;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM431428;MM431428;CC#CC#Cc1ccoc1;JKHIXURFGIBJIY-UHFFFAOYSA-N;130.15;1.65;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC4_SN0";;;;;;;2.5;;0.44;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM431429;MM431429;CCCC#CC(CO)CO;MCOIQYGLZRMUDZ-UHFFFAOYSA-N;142.2;0.39;;;;;DOPC;MDCG;27;0;"MARTINI bead: C3_P3";;;;;;;0.6;;-0.8;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM431430;MM431430;CCC1(C#N)OC1CCO;DYPNJRVNMRQJAU-UHFFFAOYSA-N;141.17;0.44;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNa_P1";;;;;;;0.04;;-2.54;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM431431;MM431431;CCC12OC1C1(N)CC2C1;ISTQJAKKYKOSOD-UHFFFAOYSA-N;139.2;0.66;;;;;DOPC;MDCG;27;1;"MARTINI bead: SNa_SNd";;;;;;;0.87;;-4.21;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM431432;MM431432;CC(=NN)OC=CCF;WHMSHKWUFLHHCM-UHFFFAOYSA-N;132.14;0.78;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nd_Na";;;;;;;0.87;;-1.88;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM431433;MM431433;NCCC1CC(CO)CN1;KANANWOFHQYKKH-UHFFFAOYSA-N;144.22;-0.69;;;;;DOPC;MDCG;27;1;"MARTINI bead: SP1_SP1";;;;;;;-0.79;;-6.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM431434;MM431434;CCC1(C#N)OC1CCF;XGNVHHJVTQXMSV-UHFFFAOYSA-N;143.16;1.42;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNa_C5";;;;;;;1.64;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM431435;MM431435;CN1CCC(=O)C=N1;TWANMJIUJITLJN-UHFFFAOYSA-N;112.13;-0.12;;;;;DOPC;MDCG;27;0;"MARTINI bead: SN0_SP1";;;;;;;0.34;;-1.53;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM431436;MM431436;NCCC#CC(CO)CO;VPACILVLARXNMB-UHFFFAOYSA-N;143.19;-1.06;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_P3";;;;;;;-1.1;;-6.35;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM431437;MM431437;NCC12OC1C1(N)CC2C1;GPBHFZDYKUQOFJ-UHFFFAOYSA-N;140.19;-0.8;;;;;DOPC;MDCG;27;1;"MARTINI bead: SP2_SNd";;;;;;;-0.24;;-5.65;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM431438;MM431438;C=CC=COC(C)=NN;PBFIDPGJTZACAZ-UHFFFAOYSA-N;126.16;0.99;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nd_Na";;;;;;;0.87;;-1.88;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM431439;MM431439;C=CC1(CN)OC1CCC;KXTNUBKUDLGGIX-UHFFFAOYSA-N;141.21;1.07;;;;;DOPC;MDCG;27;1;"MARTINI bead: C3_SP1";;;;;;;1.74;;-1.33;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM431440;MM431440;CCCC1CC(CF)CN1;SUJITQJBGDSULI-UHFFFAOYSA-N;145.22;1.73;;;;;DOPC;MDCG;27;1;"MARTINI bead: SC5_SNa";;;;;;;1.64;;-3.75;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM431441;MM431441;OCCC#CC(CO)CO;OAMLJOJNPDCNLX-UHFFFAOYSA-N;144.17;-1.03;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda_P3";;;;;;;-1.1;;-3.97;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM431442;MM431442;CC#CC#Cc1cnoc1;JUHPTTGCHGPQAL-UHFFFAOYSA-N;131.13;1.05;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC5_SNa";;;;;;;1.64;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM431443;MM431443;CCC12OC1C1(O)CC2C1;PEGFVPQBEFZUSA-UHFFFAOYSA-N;140.18;0.69;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNa_SNda";;;;;;;0.87;;-1.99;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM431444;MM431444;C#CC=COC(C)=NN;FTIBYEZKLLFWIH-UHFFFAOYSA-N;124.14;0.44;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nd_Na";;;;;;;0.87;;-1.88;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM431446;MM431446;NCCC1CC(CF)CN1;IQPHGJVWFFFPFL-UHFFFAOYSA-N;146.21;0.28;;;;;DOPC;MDCG;27;1;"MARTINI bead: SP1_SNa";;;;;;;0.04;;-6.04;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM431445;MM431445;C=CC1(CN)OC1CCN;HSQFUDMDNRKCJO-UHFFFAOYSA-N;142.2;-0.38;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1_SP1";;;;;;;-0.79;;-5.92;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM431447;MM431447;CC#CC#Cc1ccon1;GFOWVRBYVHKPNW-UHFFFAOYSA-N;131.13;1.05;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC4_SNa";;;;;;;2.2;;0.34;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM431448;MM431448;CCCC#CC(CO)CF;IYGJGHGQUJWYSO-UHFFFAOYSA-N;144.19;1.37;;;;;DOPC;MDCG;27;0;"MARTINI bead: C3_P1";;;;;;;1.74;;0.29;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM431449;MM431449;NCC12OC1C1(O)CC2C1;VTYVQVAZPRFGTD-UHFFFAOYSA-N;141.17;-0.76;;;;;DOPC;MDCG;27;1;"MARTINI bead: SP2_SNda";;;;;;;-0.24;;-5.05;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM431450;MM431450;CC=CC1=CC(OC)=CC1;YDFPHALIOIOGAE-UHFFFAOYSA-N;136.19;2.42;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNa_SC3";;;;;;;2.57;;0.45;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM431451;MM431451;CCCC1CC(CC)CO1;YSZTTYFEZQNLIA-UHFFFAOYSA-N;142.24;2.6;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC5_SC5";;;;;;;2.41;;0.64;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM431452;MM431452;CCCC1OC1(C#N)CO;LKGZXHQVNSDXDF-UHFFFAOYSA-N;141.17;0.44;;;;;DOPC;MDCG;27;0;"MARTINI bead: C3_SP2";;;;;;;1.46;;-0.15;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM431453;MM431453;CC#CC#Cc1c[nH]nn1;FGAHIUAVRQWIBU-UHFFFAOYSA-N;131.14;0.18;;;;;DOPC;MDCG;27;0;"MARTINI bead: SN0_SP1";;;;;;;0.34;;-1.53;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM431454;MM431454;NCCC#CC(CF)CF;JFSXSNPOVHHWBS-UHFFFAOYSA-N;147.17;0.89;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_Na";;;;;;;0.87;;-4.33;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM431455;MM431455;CCC12OC1C1(F)CC2C1;LYSKRXVVKUVKKY-UHFFFAOYSA-N;142.17;1.67;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNa_SC5";;;;;;;1.64;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM431456;MM431456;C=CC1(CC)OC1CNC;LFTCGDREXSTLKC-UHFFFAOYSA-N;141.21;0.94;;;;;DOPC;MDCG;27;1;"MARTINI bead: SNa_P1";;;;;;;0.04;;-4.78;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM431457;MM431457;CCCC(=NN)OC=O;YRNXGKMPOBRQPS-UHFFFAOYSA-N;130.15;0.23;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_P1";;;;;;;0.81;;-0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM431458;MM431458;CCCC1CC(CN)CO1;PBZLGGIHLPBTLQ-UHFFFAOYSA-N;143.23;1.15;;;;;DOPC;MDCG;27;1;"MARTINI bead: SC5_SP1";;;;;;;0.81;;-3.22;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM431459;MM431459;OCCC#CC(CF)CF;RMLUMWJUVQOLCH-UHFFFAOYSA-N;148.15;0.93;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda_Na";;;;;;;0.87;;-1.99;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM431460;MM431460;CCC1C(C)C1C(C)CN;IEJMXCMGNXDJML-UHFFFAOYSA-N;141.26;1.87;;;;;DOPC;MDCG;27;1;"MARTINI bead: SC3_Nd";;;;;;;2.57;;-1.53;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM431461;MM431461;NCC12OC1C1(F)CC2C1;MEZXHMIZTJNUOH-UHFFFAOYSA-N;143.16;0.21;;;;;DOPC;MDCG;27;1;"MARTINI bead: SP2_SC5";;;;;;;0.54;;-3.11;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM431462;MM431462;CCC1(C#N)OC1CNC;ATUDFOUAIHVBOY-UHFFFAOYSA-N;140.19;0.28;;;;;DOPC;MDCG;27;1;"MARTINI bead: SNa_P1";;;;;;;0.04;;-3.75;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM431463;MM431463;CC=Cc1cc(CC)c[nH]1;MZTPDDZBWPPJES-UHFFFAOYSA-N;135.21;2.61;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC5_SC5";;;;;;;2.41;;0.64;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM431464;MM431464;CCCC1CC(NC)CO1;CSZWOFHNGXLGJT-UHFFFAOYSA-N;143.23;1.16;;;;;DOPC;MDCG;27;1;"MARTINI bead: SC5_SP1";;;;;;;0.81;;-2.79;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM431465;MM431465;CON=C(C=O)N=CN;LVBBMLVGYOCNCW-UHFFFAOYSA-N;129.12;-0.87;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_P2";;;;;;;-1.06;;-3.82;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM431466;MM431466;CCC(C#CCNC)CC;IHRQHBOGTZMLQX-UHFFFAOYSA-N;139.24;1.65;;;;;DOPC;MDCG;27;1;"MARTINI bead: C1_P2";;;;;;;1.8;;-0.64;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM431467;MM431467;CCC12CC1CC1(F)CC12;LSJOEVVMAFVWCE-UHFFFAOYSA-N;140.2;2.53;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC3_SC5";;;;;;;3.34;;0.48;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM431468;MM431468;C=CC1(CN)OC1CNC;WVVGOKAAFULJCB-UHFFFAOYSA-N;142.2;-0.51;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1_SP1";;;;;;;-0.79;;-5.57;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM431469;MM431469;CC=Cc1cc(CN)c[nH]1;VYAGTJRFQIQRNR-UHFFFAOYSA-N;136.2;1.51;;;;;DOPC;MDCG;27;1;"MARTINI bead: SC5_SP1";;;;;;;0.81;;-2.39;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM431470;MM431470;CCCC1CCC(CN)N1;VKHHPOSHSDVNNE-UHFFFAOYSA-N;142.25;0.87;;;;;DOPC;MDCG;27;1;"MARTINI bead: SC5_SP1";;;;;;;0.81;;-4.19;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM431471;MM431471;CCC1C(C)C1C(N)CO;LLYJTSCTGJURFO-UHFFFAOYSA-N;143.23;0.6;;;;;DOPC;MDCG;27;1;"MARTINI bead: SC3_P3";;;;;;;0.6;;-3.18;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM431472;MM431472;CCC(C#CCNC)CF;GXVLEERTGWXEDF-UHFFFAOYSA-N;143.21;1.2;;;;;DOPC;MDCG;27;1;"MARTINI bead: C4_P2";;;;;;;1.09;;-2.05;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM431473;MM431473;CCC12NC1CC1(N)CC12;RTNXAWLJSSANEP-UHFFFAOYSA-N;138.21;0.23;;;;;DOPC;MDCG;27;1;"MARTINI bead: SNd_SNd";;;;;;;0.87;;-4.62;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM431474;MM431474;C=CC1(CC)OC1COC;RGUCYSGAFFKRJY-UHFFFAOYSA-N;142.2;1.37;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNa_P1";;;;;;;0.04;;-2.54;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM431475;MM431475;CC=Cc1cc(CO)c[nH]1;LBCOYRHNKAUXLA-UHFFFAOYSA-N;137.18;1.54;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC5_SNda";;;;;;;1.64;;0.05;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM431476;MM431476;CCCC1CCC(CO)N1;YISIRFLZLLXOJM-UHFFFAOYSA-N;143.23;0.9;;;;;DOPC;MDCG;27;1;"MARTINI bead: SC5_SP1";;;;;;;0.81;;-4.04;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM431477;MM431477;CC1C(CN)C1C(N)CF;BIXBJFQJCXFALS-UHFFFAOYSA-N;146.21;0.12;;;;;DOPC;MDCG;27;1;"MARTINI bead: SNd_P2";;;;;;;-0.24;;-5.97;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM431478;MM431478;CNCC#CC(CN)CO;PTEBXTWUEWDSCK-UHFFFAOYSA-N;142.2;-1.22;;;;;DOPC;MDCG;27;1;"MARTINI bead: P2_P2";;;;;;;-1.34;;-6.53;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM431479;MM431479;CC=Cc1cc(CF)c[nH]1;JZVLITSDUWTCBR-UHFFFAOYSA-N;139.17;2.52;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC5_SNa";;;;;;;1.64;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM431480;MM431480;CCC1(C=O)OC1COC;PJQUKOZSPHUNNW-UHFFFAOYSA-N;144.17;0.38;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNa_P1";;;;;;;0.04;;-2.54;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM431481;MM431481;CC12CC3CC3(CO)C1O2;IAMRSUBFMIDTHB-UHFFFAOYSA-N;140.18;0.55;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNa_SNda";;;;;;;0.87;;-1.99;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM431482;MM431482;CC1C(CF)C1C(N)CF;ALGOIAXTLLJWLG-UHFFFAOYSA-N;149.18;1.13;;;;;DOPC;MDCG;27;1;"MARTINI bead: SC5_P2";;;;;;;0.54;;-2.88;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM431483;MM431483;NCCC1CCC(CO)N1;MBVBJKVFIZBDCN-UHFFFAOYSA-N;144.22;-0.55;;;;;DOPC;MDCG;27;1;"MARTINI bead: SP1_SP1";;;;;;;-0.79;;-6.41;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM431484;MM431484;CNCC#CC(CO)CO;SSNVAHXWKUCIDX-UHFFFAOYSA-N;143.19;-1.19;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1_P2";;;;;;;-1.06;;-5.54;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM431485;MM431485;C=C1NC(=N)C(=O)C1=O;WFQJNPJINKQLQI-UHFFFAOYSA-N;124.1;-0.78;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNd_SP1";;;;;;;0.04;;-2.63;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM431486;MM431486;CC12CC3CC3(CF)C1O2;HYBTZWQPVPOTMD-UHFFFAOYSA-N;142.17;1.52;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNa_SC5";;;;;;;1.64;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM431487;MM431487;C=CC1(CO)OC1COC;AVGUPIVNIHTNGJ-UHFFFAOYSA-N;144.17;-0.05;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_SP1";;;;;;;-0.79;;-3.13;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM431488;MM431488;N=c1c(F)c(N)on1N;MQHNMQOGPBBQRI-UHFFFAOYSA-N;132.1;-1;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP2_SNda";;;;;;;-0.24;;-3.31;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM431489;MM431489;CCCC1CCC(CF)N1;UWFNQVNNMCGRBU-UHFFFAOYSA-N;145.22;1.88;;;;;DOPC;MDCG;27;1;"MARTINI bead: SC5_SNa";;;;;;;1.64;;-2.59;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM431490;MM431490;CCC(C#CCOC)CC;WVSVBMSGDDXSDE-UHFFFAOYSA-N;140.23;2.07;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1_Na";;;;;;;2.91;;0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM431491;MM431491;CC=Cc1cc(OC)c[nH]1;BIQGOJPSGHVRRK-UHFFFAOYSA-N;137.18;2.06;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNa_SC5";;;;;;;1.64;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM431492;MM431492;C=CC1(CC)CN1CCN;XEHKNOOIRHDDMS-UHFFFAOYSA-N;140.23;0.6;;;;;DOPC;MDCG;27;1;"MARTINI bead: SN0_P4";;;;;;;-0.88;;-5.65;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM431493;MM431493;CC12CC3NC3(CN)C1O2;UXMCRVFHUURLQX-UHFFFAOYSA-N;140.19;-0.78;;;;;DOPC;MDCG;27;1;"MARTINI bead: SNa_SP2";;;;;;;-0.24;;-5.13;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM431494;MM431494;CCC1C(C)C1C(O)CO;HDMRAFILDGYPAY-UHFFFAOYSA-N;144.21;0.63;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC3_P3";;;;;;;0.6;;-0.8;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM431495;MM431495;CCCC1CCN(CC)C1;XSKSNYPSMXWBEG-UHFFFAOYSA-N;141.26;2.13;;;;;DOPC;MDCG;27;1;"MARTINI bead: SC5_SNd";;;;;;;1.64;;-2.8;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM431496;MM431496;CCC(C#CCOC)CN;VVZSELBOOFZFRE-UHFFFAOYSA-N;141.21;0.62;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_Na";;;;;;;0.87;;-4.32;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM431497;MM431497;CC=Cc1cc(CC)co1;CSXAYNIXXLTVCK-UHFFFAOYSA-N;136.19;2.88;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC4_SC4";;;;;;;3.53;;0.53;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM431498;MM431498;C#CCn1cc(N)c(N)n1;WEEYZPGHMCNICC-UHFFFAOYSA-N;136.16;-0.32;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNa_SP2";;;;;;;-0.24;;-3.24;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM431499;MM431499;CC#CCOC(=NN)OC;CRTQZBICRHDFNH-UHFFFAOYSA-N;142.16;-0.1;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_C4";;;;;;;1.09;;-0.38;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM431500;MM431500;CC1C(CN)C1C(O)CF;ZLVIGMOZZDSUFK-UHFFFAOYSA-N;147.19;0.16;;;;;DOPC;MDCG;27;1;"MARTINI bead: SNd_P2";;;;;;;-0.24;;-5.64;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM431501;MM431501;CCN1CCC(CCN)C1;VIMROESUSPPGCT-UHFFFAOYSA-N;142.25;0.68;;;;;DOPC;MDCG;27;1;"MARTINI bead: SNd_SP1";;;;;;;0.04;;-5.75;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM431502;MM431502;O=CC1CCN(C=O)N1;FWKWBCADOXJWFK-UHFFFAOYSA-N;128.13;-1.08;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP3_SP2";;;;;;;-2.2;;-5.19;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM431503;MM431503;CC12CC1CC1(CN)CC12;DYVZCRGNRGLGJT-UHFFFAOYSA-N;137.23;1.38;;;;;DOPC;MDCG;27;1;"MARTINI bead: SC5_SNd";;;;;;;1.64;;-2.39;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM431504;MM431504;C=CC1(CC)CN1CCF;CCRKCFXZICWJEG-UHFFFAOYSA-N;143.21;1.61;;;;;DOPC;MDCG;27;0;"MARTINI bead: SN0_P2";;;;;;;0.06;;-2.21;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM431505;MM431505;CC=Cc1cc(CN)co1;PQSRLGVNYKMNCS-UHFFFAOYSA-N;137.18;1.77;;;;;DOPC;MDCG;27;1;"MARTINI bead: SC4_SNd";;;;;;;2.2;;-0.74;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM431506;MM431506;CCC1C(C)C1C(F)CN;DRARHOYLUQTIMY-UHFFFAOYSA-N;145.22;1.58;;;;;DOPC;MDCG;27;1;"MARTINI bead: SC3_P2";;;;;;;1.46;;-1.54;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM431507;MM431507;CCNC1CCN(CC)C1;YNDDQVCZRACCTJ-UHFFFAOYSA-N;142.25;0.69;;;;;DOPC;MDCG;27;1;"MARTINI bead: SP1_SNd";;;;;;;0.04;;-5.33;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM431508;MM431508;CCC(C#CCOC)CF;OQPXTQYSENDIJW-UHFFFAOYSA-N;144.19;1.63;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4_Na";;;;;;;2.2;;0.34;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM431509;MM431509;CCCN1CC1(C#N)CC;HMFDKQQDJGGICP-UHFFFAOYSA-N;138.21;1.38;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nd_SP1";;;;;;;0.04;;-2.63;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM431510;MM431510;CC=Cc1cc(CO)co1;GZCIFOOWJFCMJW-UHFFFAOYSA-N;138.17;1.81;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC4_SNda";;;;;;;2.2;;0.49;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM431511;MM431511;CCC1C(C)C1C(F)CF;GFRLOPJOBYCSSG-UHFFFAOYSA-N;148.2;2.59;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC3_Na";;;;;;;2.57;;0.45;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM431512;MM431512;CC(=NN)C(=N)N(C)C=O;JHCCDYNCLJDPPE-UHFFFAOYSA-N;142.16;-0.61;;;;;DOPC;MDCG;27;0;"MARTINI bead: P3_Nd";;;;;;;-1.1;;-3.93;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM431513;MM431513;CCCN1CCC(CC)C1;PKCAIFSUEGNSEI-UHFFFAOYSA-N;141.26;2.13;;;;;DOPC;MDCG;27;1;"MARTINI bead: SC5_SN0";;;;;;;1.94;;-2.05;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM431514;MM431514;COCC#CC(CN)CN;NCQNDJWQNIAPAO-UHFFFAOYSA-N;142.2;-0.83;;;;;DOPC;MDCG;27;1;"MARTINI bead: Na_P3";;;;;;;-1.1;;-6.55;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM431515;MM431515;CCC(N)C1C(N)C1CC;KISZKXKKDGULHX-UHFFFAOYSA-N;142.25;0.71;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_SNd";;;;;;;0.87;;-4.99;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM431516;MM431516;CC=Cc1cc(CF)co1;NBDYAFKOYUNXRP-UHFFFAOYSA-N;140.16;2.78;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC4_SC5";;;;;;;2.97;;0.45;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM431517;MM431517;N#CC1(CNCC=O)CC1;HBNDXNJNMVUQRG-UHFFFAOYSA-N;138.17;0.08;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_SN0";;;;;;;0.06;;-2.21;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM431518;MM431518;CC12CC1CC1(CF)CC12;WCRUNMFEYWGONG-UHFFFAOYSA-N;140.2;2.39;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC5_SC5";;;;;;;2.41;;0.64;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM431519;MM431519;CCCN1CCC(CN)C1;IPUBRBQHMVFXEW-UHFFFAOYSA-N;142.25;0.68;;;;;DOPC;MDCG;27;1;"MARTINI bead: SC5_SP2";;;;;;;0.54;;-4.09;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM431520;MM431520;CNC(C)C1C(C)C1CO;HOLUTZMQCPBOQL-UHFFFAOYSA-N;143.23;0.47;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_SNda";;;;;;;0.87;;-4.84;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM431521;MM431521;COCC#CC(CF)CF;IRFJJPXLKRXWTH-UHFFFAOYSA-N;148.15;1.19;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_Na";;;;;;;0.87;;-2.22;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM431522;MM431522;CCC1(C=O)CN1CCF;NYMWCSRLTXXDCW-UHFFFAOYSA-N;145.18;0.62;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP1_P2";;;;;;;-1.06;;-3.82;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM431523;MM431523;CC=Cc1cc(NC)co1;KLCOHGNUIWGIHG-UHFFFAOYSA-N;137.18;2.35;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNd_SC4";;;;;;;2.2;;0.32;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM431524;MM431524;NC12CC1CC1(CO)CC12;DZEIIXDJIICJFU-UHFFFAOYSA-N;139.2;0.11;;;;;DOPC;MDCG;27;1;"MARTINI bead: SP1_SNda";;;;;;;0.04;;-5.34;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM431525;MM431525;CCCN1CCC(CO)C1;RJAJCQKKDKQAEN-UHFFFAOYSA-N;143.23;0.71;;;;;DOPC;MDCG;27;1;"MARTINI bead: SC5_SP1";;;;;;;0.81;;-3.13;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM431526;MM431526;CCC1C(C)C1C(C)OC;FUFUZYQQDNNEKS-UHFFFAOYSA-N;142.24;2.31;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC3_Na";;;;;;;2.57;;0.45;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM431527;MM431527;CCCC#CC(CC)NC;VPHFDVCCUXDNRT-UHFFFAOYSA-N;139.24;1.79;;;;;DOPC;MDCG;27;1;"MARTINI bead: C3_Nd";;;;;;;2.57;;-0.68;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM431528;MM431528;CCC1(C#N)CN1CCF;CWSOALNUTLUVQW-UHFFFAOYSA-N;142.18;0.94;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP1_P2";;;;;;;-1.06;;-3.82;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM431529;MM431529;CC=Cc1cc(OC)co1;VXCINCJUZLZURD-UHFFFAOYSA-N;138.17;2.32;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNa_SC4";;;;;;;2.2;;0.34;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM431530;MM431530;NC12CC1CC1(CF)CC12;VZRWKEIQEKFUNR-UHFFFAOYSA-N;141.19;1.08;;;;;DOPC;MDCG;27;1;"MARTINI bead: SP1_SC5";;;;;;;0.81;;-3.4;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM431531;MM431531;CCCN1CCC(NC)C1;UHQBKMDJODUIDZ-UHFFFAOYSA-N;142.25;0.69;;;;;DOPC;MDCG;27;1;"MARTINI bead: SC5_SP1";;;;;;;0.81;;-3.13;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM431532;MM431532;CC=Cc1cc(CC)no1;MZOCQIRGYMBICZ-UHFFFAOYSA-N;137.18;2.27;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC5_SC5";;;;;;;2.41;;0.64;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM431533;MM431533;CCC(C#CCCF)NC;OIUMUXJHECECBU-UHFFFAOYSA-N;143.21;1.35;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_Na";;;;;;;0.87;;-3.83;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM431534;MM431534;CNC1C(C)C1C(C)CO;VUPGGSOXQURSCE-UHFFFAOYSA-N;143.23;0.47;;;;;DOPC;MDCG;27;1;"MARTINI bead: SNd_Nda";;;;;;;0.87;;-4.53;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM431535;MM431535;C=CC1(CN)CN1CCC;JAMBFHJZHWHJAG-UHFFFAOYSA-N;140.23;0.6;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_SP2";;;;;;;-0.24;;-5.09;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM431536;MM431536;NCC12CC3CC3(O)C1C2;KXIMFJUTOXEPAI-UHFFFAOYSA-N;139.2;0.11;;;;;DOPC;MDCG;27;1;"MARTINI bead: SNd_SNda";;;;;;;0.87;;-4.1;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM431537;MM431537;CCCN1CCC(OC)C1;QMTSOKRVNYDMBH-UHFFFAOYSA-N;143.23;1.12;;;;;DOPC;MDCG;27;1;"MARTINI bead: SC5_SP1";;;;;;;0.81;;-2.8;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM431538;MM431538;CC=Cc1cc(CO)no1;OODVYOZSSHVKRO-UHFFFAOYSA-N;139.15;1.2;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC5_SNda";;;;;;;1.64;;0.05;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM431539;MM431539;CNC1C(C)C1C(C)CF;ACNPGKWQNTVMGR-UHFFFAOYSA-N;145.22;1.45;;;;;DOPC;MDCG;27;1;"MARTINI bead: SNd_C4";;;;;;;2.2;;-2.33;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM431540;MM431540;CCCC#CC(CN)NC;ZXQRQUHKXZEXPO-UHFFFAOYSA-N;140.23;0.34;;;;;DOPC;MDCG;27;1;"MARTINI bead: C3_P3";;;;;;;0.6;;-2.55;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM431541;MM431541;C=CC1(CN)CN1CCO;RJEMVWOMLGVMGC-UHFFFAOYSA-N;142.2;-0.82;;;;;DOPC;MDCG;27;1;"MARTINI bead: SP2_P3";;;;;;;-2.2;;-7.11;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM431542;MM431542;OC12CC1CC1(CF)CC12;BNTOGMCHZLTJPP-UHFFFAOYSA-N;142.17;1.12;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP1_SC5";;;;;;;0.81;;-0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM431543;MM431543;CC=Cc1cc(CF)no1;BHRUEWQDXXKYJI-UHFFFAOYSA-N;141.15;2.18;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC5_SNa";;;;;;;1.64;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM431544;MM431544;C=CCC1CCC(CC)C1;MFPBLDLTAFZIKR-UHFFFAOYSA-N;138.25;3.39;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC1_SC1";;;;;;;4.95;;0.69;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM431545;MM431545;CNC1C(C)C1C(O)CF;SNAPLPZSYBYJLD-UHFFFAOYSA-N;147.19;0.17;;;;;DOPC;MDCG;27;1;"MARTINI bead: SNd_P2";;;;;;;-0.24;;-5.54;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM431546;MM431546;C=CC1(CN)CN1CCF;ZEMYPKCYYIHWOX-UHFFFAOYSA-N;144.19;0.16;;;;;DOPC;MDCG;27;1;"MARTINI bead: SP2_P2";;;;;;;-1.34;;-6.24;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM431547;MM431547;OCC12CC3CC3(F)C1C2;UZFNYIQAJIZWST-UHFFFAOYSA-N;142.17;1.12;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNda_SC5";;;;;;;1.64;;0.05;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM431548;MM431548;CNC(C#CCCN)CN;WQDPBRIBOYACEE-UHFFFAOYSA-N;141.22;-1.11;;;;;DOPC;MDCG;27;1;"MARTINI bead: P3_Nd";;;;;;;-1.1;;-6.42;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM431549;MM431549;CCC1CCC(CC#N)C1;NMTQKBZBXLMGPG-UHFFFAOYSA-N;137.23;2.73;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC1_SC4";;;;;;;4.24;;0.42;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM431550;MM431550;CC=Cc1cc(OC)no1;KUHJUNDPDPPNJW-UHFFFAOYSA-N;139.15;1.72;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNa_SC5";;;;;;;1.64;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM431551;MM431551;CCC(N)C1C(N)C1NC;DXZIBNKYVSNVBL-UHFFFAOYSA-N;143.23;-0.73;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_SP2";;;;;;;-0.24;;-5.64;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM431552;MM431552;CNC(C#CCCO)CN;TUMFNUJNQONSCN-UHFFFAOYSA-N;142.2;-1.08;;;;;DOPC;MDCG;27;1;"MARTINI bead: P3_Nda";;;;;;;-1.1;;-5.75;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM431553;MM431553;N=c1nnc(=NN)on1N;NQWHQTBATWRJHW-UHFFFAOYSA-N;143.11;-3.16;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP3_SP2";;;;;;;-2.2;;-5.19;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM431554;MM431554;CNC12CC3CC3(C)C1C2;FCCOBYHFABVBHW-UHFFFAOYSA-N;137.23;1.39;;;;;DOPC;MDCG;27;1;"MARTINI bead: SNd_SC4";;;;;;;2.2;;-2.27;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM431555;MM431555;C=Cc1nn(C)oc1=NN;GARSGROKNVUCBN-UHFFFAOYSA-N;140.15;-0.57;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNa_SP2";;;;;;;-0.24;;-3.24;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM431556;MM431556;CCC(O)C1C(CN)N1C;GKOVMPAMTCQHFG-UHFFFAOYSA-N;144.22;-0.6;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nda_SP2";;;;;;;-0.24;;-4.95;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM431557;MM431557;CC(=NN)OC1CC1C;BUKSJXCTLLZTIE-UHFFFAOYSA-N;128.18;0.7;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC5_P2";;;;;;;0.54;;-1.09;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM431558;MM431558;CNCC#CC(CN)NC;PUJJLFPQOFBBJF-UHFFFAOYSA-N;141.22;-1.24;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1_P2";;;;;;;-1.06;;-5.84;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM431559;MM431559;N#CC1(CO)CN1CCF;CUBOBNLVVGNUKE-UHFFFAOYSA-N;144.15;-0.47;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP2_P2";;;;;;;-1.34;;-4.31;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM431560;MM431560;CNC12CC3CC3(N)C1C2;FIJMMNMITNFXNM-UHFFFAOYSA-N;138.21;0.09;;;;;DOPC;MDCG;27;1;"MARTINI bead: SNd_SNd";;;;;;;0.87;;-4.96;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM431561;MM431561;C=CCC1CCC(CF)C1;JBVZYFGHWMWGKX-UHFFFAOYSA-N;142.22;2.95;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC3_SC1";;;;;;;4.61;;0.31;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM431562;MM431562;CCC(F)C1C(CC)N1C;FOYSHADXUHQWPT-UHFFFAOYSA-N;145.22;1.83;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4_SNd";;;;;;;2.2;;0.32;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM431563;MM431563;CC=Cc1nc(CC)co1;BMZPMPMCHMMMAX-UHFFFAOYSA-N;137.18;2.27;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNa_SC5";;;;;;;1.64;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM431564;MM431564;C=CC1(CF)CN1CCN;DSLWJBPGRYLTLZ-UHFFFAOYSA-N;144.19;0.16;;;;;DOPC;MDCG;27;1;"MARTINI bead: P4_SNa";;;;;;;-1.19;;-6.65;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM431565;MM431565;CNCC#CC(CO)NC;LNOHLRYLSJSCAN-UHFFFAOYSA-N;142.2;-1.21;;;;;DOPC;MDCG;27;1;"MARTINI bead: P2_P2";;;;;;;-1.34;;-6.1;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM431566;MM431566;O=CCC1CCC(CF)C1;PDLFOIFMSYBOPK-UHFFFAOYSA-N;144.19;1.96;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC3_SC4";;;;;;;3.9;;0.47;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM431567;MM431567;COC12CC3CC3(C)C1C2;KBQRDLYGYZFMEW-UHFFFAOYSA-N;138.21;1.82;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC5_SC4";;;;;;;2.97;;0.45;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM431568;MM431568;CCC(F)C1C(CN)N1C;NKUWLKOEMVHKBJ-UHFFFAOYSA-N;146.21;0.38;;;;;DOPC;MDCG;27;1;"MARTINI bead: C4_SP2";;;;;;;1.09;;-2.27;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM431569;MM431569;CC=Cc1nc(CO)co1;RGOASVPLOCSAAG-UHFFFAOYSA-N;139.15;1.2;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC5_SP1";;;;;;;0.81;;-0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM431570;MM431570;CCCN1CC1(C#N)CF;FTZQMHRTHONDMH-UHFFFAOYSA-N;142.18;0.94;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nd_SP2";;;;;;;-0.24;;-3.16;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM431571;MM431571;CCC(C#CCOC)NC;GWVAMKOXNHTTGW-UHFFFAOYSA-N;141.21;0.63;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_Na";;;;;;;0.87;;-3.76;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM431572;MM431572;N#CCC1CCC(CF)C1;JKKNLVNMHHEQRD-UHFFFAOYSA-N;141.19;2.29;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC3_SC4";;;;;;;3.9;;0.47;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM431573;MM431573;CCC12CC1C1(C)CC1N2;HBMPLNCWVMUNSR-UHFFFAOYSA-N;137.23;1.54;;;;;DOPC;MDCG;27;1;"MARTINI bead: SNd_SC4";;;;;;;2.2;;-2.71;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM431574;MM431574;CCC1C(C(C)NC)N1C;OGEXOWOINSDJOC-UHFFFAOYSA-N;142.25;0.69;;;;;DOPC;MDCG;27;1;"MARTINI bead: SNd_Nd";;;;;;;0.87;;-4.71;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM431575;MM431575;C=CCC1CC1(C=C)CC;VOBNYMBOTXZPGS-UHFFFAOYSA-N;136.24;3.16;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC3_C4";;;;;;;3.9;;0.47;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM431576;MM431576;CC=Cc1nc(CF)co1;LXZPETNJCVRJSZ-UHFFFAOYSA-N;141.15;2.18;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC5_SNa";;;;;;;1.64;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM431577;MM431577;CNC(C#CCOC)CO;QNQZCDZJHWBGLQ-UHFFFAOYSA-N;143.19;-0.78;;;;;DOPC;MDCG;27;1;"MARTINI bead: P2_Na";;;;;;;-0.24;;-4.37;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM431578;MM431578;C=CCC1CCC(NC)C1;QMOOUIPQEUWACK-UHFFFAOYSA-N;139.24;1.95;;;;;DOPC;MDCG;27;1;"MARTINI bead: SNd_SC1";;;;;;;2.91;;-0.97;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM431579;MM431579;CCC12CC1C1(N)CC1N2;OABWYILEKORLSC-UHFFFAOYSA-N;138.21;0.23;;;;;DOPC;MDCG;27;1;"MARTINI bead: SNd_SNd";;;;;;;0.87;;-5.03;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM431580;MM431580;CCC(N)C1C(C)N1CC;GTWYJYFLLJRQSR-UHFFFAOYSA-N;142.25;0.82;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_SNd";;;;;;;0.87;;-4.34;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM431581;MM431581;CC(=NN)OC1CC1F;RCUMIXAESGPCLC-UHFFFAOYSA-N;132.14;0.41;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_SNa";;;;;;;-0.24;;-3.24;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM431582;MM431582;C=CC1(CC)CC1CC=O;JEYYRGIYCKPJOQ-UHFFFAOYSA-N;138.21;2.18;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC3_Na";;;;;;;2.57;;0.45;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM431583;MM431583;CCCC#CC(CC)OC;RZDHWNHQMSNOQQ-UHFFFAOYSA-N;140.23;2.21;;;;;DOPC;MDCG;27;0;"MARTINI bead: C3_Na";;;;;;;2.57;;0.45;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM431584;MM431584;CNC1CCC(CC#N)C1;MSEWNNSXBQNUNB-UHFFFAOYSA-N;138.21;1.29;;;;;DOPC;MDCG;27;1;"MARTINI bead: SNd_SC4";;;;;;;2.2;;-2.65;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM431585;MM431585;OCC12CC1C1(O)CC1N2;LIEYZKCXNTZXHT-UHFFFAOYSA-N;141.17;-1.16;;;;;DOPC;MDCG;27;1;"MARTINI bead: SP2_SP1";;;;;;;-1.06;;-5.7;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM431586;MM431586;CNc1cc(F)n(N)n1;HAOPYLQFXZDVFS-UHFFFAOYSA-N;130.13;-0.22;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNda_SNda";;;;;;;0.87;;-2.07;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM431587;MM431587;CC=Cc1nc(OC)co1;ADXXERFCPLGZHB-UHFFFAOYSA-N;139.15;1.72;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNa_SC5";;;;;;;1.64;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM431588;MM431588;CCC1(C#N)CC1CC=O;GGDHMEPYPJCIQJ-UHFFFAOYSA-N;137.18;1.52;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC5_Na";;;;;;;1.64;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM431589;MM431589;CCC(C#CCCN)OC;ASCJLXCLCZPYLI-UHFFFAOYSA-N;141.21;0.76;;;;;DOPC;MDCG;27;1;"MARTINI bead: Na_Nd";;;;;;;0.87;;-4.3;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM431590;MM431590;C#Cc1nn(C)oc1=NN;HYPHBVRPMYPNNN-UHFFFAOYSA-N;138.13;-1.23;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP1_SP2";;;;;;;-1.06;;-3.82;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM431591;MM431591;CCN1C(C)C1C(C)NC;NEWGIBAJVVVZGI-UHFFFAOYSA-N;142.25;0.69;;;;;DOPC;MDCG;27;1;"MARTINI bead: SNd_Nd";;;;;;;0.87;;-4.71;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM431592;MM431592;CCC12CC1C1(C)CC1O2;IKBFPEYYCZNXIB-UHFFFAOYSA-N;138.21;1.96;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNa_SC4";;;;;;;2.2;;0.34;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM431593;MM431593;CC1N2C(C=O)C=CC12C;NDTIJGZFUACMMU-UHFFFAOYSA-N;137.18;0.59;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP2_SN0";;;;;;;0.06;;-2.21;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM431594;MM431594;CC=Cc1nc(CC)no1;QPSUOGXTUYOOER-UHFFFAOYSA-N;138.17;1.67;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNa_SNa";;;;;;;0.87;;-2.22;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM431595;MM431595;CNC1CCC(NC=N)C1;MZUIUHUEHSUNHU-UHFFFAOYSA-N;141.22;0.32;;;;;DOPC;MDCG;27;1;"MARTINI bead: SNd_SNd";;;;;;;0.87;;-6.32;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM431596;MM431596;CCC(C#CCCO)OC;CABNUDLXAKKCRA-UHFFFAOYSA-N;142.2;0.8;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_Nda";;;;;;;0.87;;-1.99;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM431597;MM431597;CC(CN)N1C(C)C1CN;PUGRWQFVHFDCBX-UHFFFAOYSA-N;143.23;-0.64;;;;;DOPC;MDCG;27;1;"MARTINI bead: P3_SP2";;;;;;;-2.2;;-7.42;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM431598;MM431598;CCC12CC1C1(O)CC1O2;FPANSXFIMNLFMJ-UHFFFAOYSA-N;140.18;0.69;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNa_SP1";;;;;;;0.04;;-2.54;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM431599;MM431599;CC=Cc1nc(CO)no1;OBAFWNZYYRZBHC-UHFFFAOYSA-N;140.14;0.6;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNa_SP1";;;;;;;0.04;;-2.54;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM431600;MM431600;C#CCC1COC(=NN)O1;NWFDJJCNIITHPH-UHFFFAOYSA-N;140.14;-0.35;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP2_SP1";;;;;;;-1.06;;-3.82;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM431601;MM431601;C=COC1CCC(CC)C1;BBTHEZBMNWDSEX-UHFFFAOYSA-N;140.23;2.73;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC1_SC4";;;;;;;4.24;;0.42;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM431602;MM431602;CC12NC1CC1(CN)CC12;ZQUYEEZSFYTDHF-UHFFFAOYSA-N;138.21;0.09;;;;;DOPC;MDCG;27;1;"MARTINI bead: SP1_SNd";;;;;;;0.04;;-5.11;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM431603;MM431603;CCC1C(C)C1C(C)C=O;OQCFLLQHHKDFRA-UHFFFAOYSA-N;140.23;2.11;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC3_Na";;;;;;;2.57;;0.45;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM431604;MM431604;CCC(C#CCCF)OC;VKEBGMVBBGAMJA-UHFFFAOYSA-N;144.19;1.77;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_Na";;;;;;;0.87;;-2.22;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM431605;MM431605;CC=Cc1nc(CF)no1;ITBFDBXZIONQRW-UHFFFAOYSA-N;142.13;1.57;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNa_SNa";;;;;;;0.87;;-2.22;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM431606;MM431606;N#CC1(CO)CC1CC=O;KBUUQCOAAVZVGK-UHFFFAOYSA-N;139.15;0.1;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP1_Na";;;;;;;0.04;;-2.54;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM431607;MM431607;C=CCC1CNC(CC)C1;LOKLWJVVJVKOSF-UHFFFAOYSA-N;139.24;1.95;;;;;DOPC;MDCG;27;1;"MARTINI bead: SNd_SC5";;;;;;;1.64;;-4.11;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM431608;MM431608;CNC12CC3NC3(C)C1C2;QYBCPDOWFYUNME-UHFFFAOYSA-N;138.21;0.1;;;;;DOPC;MDCG;27;1;"MARTINI bead: SNd_SNd";;;;;;;0.87;;-4.55;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM431609;MM431609;CCCC#CC(CN)OC;DNLCOUXMKXCOPR-UHFFFAOYSA-N;141.21;0.76;;;;;DOPC;MDCG;27;1;"MARTINI bead: C3_P2";;;;;;;1.46;;-1.7;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM431610;MM431610;CC=Cc1nc(NC)no1;RVNYNORDAFWHEO-UHFFFAOYSA-N;139.16;1.14;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNda_SNa";;;;;;;0.87;;-1.99;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM431611;MM431611;CCC1C(C)C1C(C)C#N;NIQWZCRPZOAYPN-UHFFFAOYSA-N;137.23;2.44;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC3_P1";;;;;;;1.74;;0.29;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM431612;MM431612;C=CCC1CC1(C=C)NC;ZFRULDSOYVXOFO-UHFFFAOYSA-N;137.23;1.73;;;;;DOPC;MDCG;27;1;"MARTINI bead: SNd_C4";;;;;;;2.2;;-1.67;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM431613;MM431613;C=CCC1CNC(CN)C1;ZIRRPVXASKVQLR-UHFFFAOYSA-N;140.23;0.5;;;;;DOPC;MDCG;27;1;"MARTINI bead: SP1_SC5";;;;;;;0.81;;-4.13;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM431614;MM431614;CCCC#CC(CO)OC;JACJUUROUFXMQF-UHFFFAOYSA-N;142.2;0.8;;;;;DOPC;MDCG;27;0;"MARTINI bead: C3_P2";;;;;;;1.46;;-0.15;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM431615;MM431615;CCC12CC3OC3(C)C1C2;BQUIEIJQVQASDM-UHFFFAOYSA-N;138.21;1.96;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC2_SNa";;;;;;;2.83;;0.35;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM431616;MM431616;C=CC(N)C1C(C)C1CC;NYQUDWBOEFQGAL-UHFFFAOYSA-N;139.24;1.79;;;;;DOPC;MDCG;27;1;"MARTINI bead: SC3_P1";;;;;;;1.74;;-1.83;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM431617;MM431617;CC=Cc1nc(OC)no1;ZBZSQTTYFOVDRN-UHFFFAOYSA-N;140.14;1.11;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNa_SNa";;;;;;;0.87;;-2.22;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM431618;MM431618;C=CC1(NC)CC1CC=O;CFRDLJYTLFKUAJ-UHFFFAOYSA-N;139.2;0.74;;;;;DOPC;MDCG;27;1;"MARTINI bead: SNd_Na";;;;;;;0.87;;-3.82;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM431619;MM431619;C=CCC1CNC(CO)C1;WHQUOVIZPNFUER-UHFFFAOYSA-N;141.21;0.53;;;;;DOPC;MDCG;27;1;"MARTINI bead: SP1_SC5";;;;;;;0.81;;-3.98;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM431620;MM431620;COC(C#CCCO)CO;XIRPLRHWPJXSKL-UHFFFAOYSA-N;144.17;-0.62;;;;;DOPC;MDCG;27;0;"MARTINI bead: P3_Nda";;;;;;;-1.1;;-3.97;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM431621;MM431621;CC12OC1CC1(CN)CC12;FSAWDFKJMOOIEW-UHFFFAOYSA-N;139.2;0.51;;;;;DOPC;MDCG;27;1;"MARTINI bead: SNa_SNd";;;;;;;0.87;;-4.37;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM431622;MM431622;C=CC(N)C1C(C)C1CN;AZNSYOWVJJDKDH-UHFFFAOYSA-N;140.23;0.34;;;;;DOPC;MDCG;27;1;"MARTINI bead: SNd_P1";;;;;;;0.04;;-5.59;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM431623;MM431623;C=CC1=CCC(C=CC)=C1;QLJHKCUBFZCGFZ-UHFFFAOYSA-N;132.21;3.01;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC3_SC4";;;;;;;3.9;;0.47;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM431624;MM431624;C=CC1(NC)CC1CC#N;RHRJQNPUMFRYIF-UHFFFAOYSA-N;136.2;1.06;;;;;DOPC;MDCG;27;1;"MARTINI bead: SNd_P1";;;;;;;0.04;;-3.86;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM431625;MM431625;N#CCC1CNC(CO)C1;CKMSORHJLNVPNN-UHFFFAOYSA-N;140.19;-0.13;;;;;DOPC;MDCG;27;1;"MARTINI bead: SP1_SP1";;;;;;;-0.79;;-5.67;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM431626;MM431626;CC=CC1=CC(C=O)=CC1;QWMMEEHBGLMHEX-UHFFFAOYSA-N;134.18;2.02;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC3_SNa";;;;;;;2.57;;0.45;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM431627;MM431627;CCCC#CC(CF)OC;AFMGNIZONBYJFD-UHFFFAOYSA-N;144.19;1.77;;;;;DOPC;MDCG;27;0;"MARTINI bead: C3_Na";;;;;;;2.57;;0.45;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM431628;MM431628;CNC12CC3OC3(C)C1C2;DGEZYUVIHBGFRO-UHFFFAOYSA-N;139.2;0.53;;;;;DOPC;MDCG;27;1;"MARTINI bead: SNd_SNa";;;;;;;0.87;;-4.42;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM431629;MM431629;C=CCC1CC1(C#N)NC;HDZTUTOPENRITN-UHFFFAOYSA-N;136.2;1.06;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP1_C4";;;;;;;1.37;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM431630;MM431630;CC1=CC(=NN)C(C)C1;BRCYYDDPBXJMMU-UHFFFAOYSA-N;124.19;1.29;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC4_SC5";;;;;;;2.97;;0.45;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM431631;MM431631;C=CCC1CNC(CF)C1;KBPBQLHXZOBTEC-UHFFFAOYSA-N;143.21;1.51;;;;;DOPC;MDCG;27;1;"MARTINI bead: SNda_SC5";;;;;;;1.64;;-2.46;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM431632;MM431632;CC=CC1=CC(C#N)=CC1;JKUGTCJNYONGEF-UHFFFAOYSA-N;131.18;2.34;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC3_SN0";;;;;;;2.87;;0.37;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM431633;MM431633;COC(C#CCCF)CF;VEEQJDJLYFCLAH-UHFFFAOYSA-N;148.15;1.33;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_Na";;;;;;;0.87;;-2.22;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM431634;MM431634;CC12CC1CC1(CN)NC12;XJEIOBCUPUVYTI-UHFFFAOYSA-N;138.21;0.09;;;;;DOPC;MDCG;27;1;"MARTINI bead: SC5_SP2";;;;;;;0.54;;-3.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM431635;MM431635;CCC12CC1OC(=NN)O2;MTMULHLIGAZTQK-UHFFFAOYSA-N;142.16;0.18;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC3_SP2";;;;;;;1.46;;-0.15;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM431636;MM431636;C=CC(F)C1C(C)C1CN;BHCDZZQKLSPPME-UHFFFAOYSA-N;143.21;1.35;;;;;DOPC;MDCG;27;1;"MARTINI bead: SNd_Na";;;;;;;0.87;;-4.67;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM431637;MM431637;N#CCC1CNC(CF)C1;NFGUXYLCLAAOAK-UHFFFAOYSA-N;142.18;0.85;;;;;DOPC;MDCG;27;1;"MARTINI bead: SNda_SP1";;;;;;;0.04;;-4.31;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM431638;MM431638;CC1CC(=NN)OC1C;IUYIDVMYUVAXFT-UHFFFAOYSA-N;128.18;0.7;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNda_SN0";;;;;;;1.17;;-1.13;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM431639;MM431639;CC12CC1CC1(CF)NC12;XMCJIOXJZNRKIX-UHFFFAOYSA-N;141.19;1.1;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC5_SNda";;;;;;;1.64;;0.05;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM431640;MM431640;CNC1C(C)C1C(F)C#N;RCRKAEPIDJRRFT-UHFFFAOYSA-N;142.18;0.7;;;;;DOPC;MDCG;27;1;"MARTINI bead: SNd_Na";;;;;;;0.87;;-3.43;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM431641;MM431641;CCC(C#CCOC)OC;GFAUSGMUVACFEK-UHFFFAOYSA-N;142.2;1.06;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_Na";;;;;;;0.87;;-2.22;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM431642;MM431642;CNC1(C#N)CC1CC#N;JLGSPVPEOHZACJ-UHFFFAOYSA-N;135.17;0.4;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP1_P1";;;;;;;-0.79;;-3.13;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM431643;MM431643;CCC1CC(NC=N)CN1;YEBMKSWELWXCFO-UHFFFAOYSA-N;141.22;0.32;;;;;DOPC;MDCG;27;1;"MARTINI bead: SNd_SP2";;;;;;;-0.24;;-7.08;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM431644;MM431644;C=Cc1c[nH]c(C=CC)c1;NALMMOIYRSXTLZ-UHFFFAOYSA-N;133.19;2.69;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC5_SN0";;;;;;;1.94;;0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM431645;MM431645;CCC1C(C)C1N(C)C=O;MYCKDGCHGQMZIE-UHFFFAOYSA-N;141.21;1.12;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC3_P2";;;;;;;1.46;;-0.15;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM431646;MM431646;CCC12CC3CC3(N)C1N2;QXMONJAIWANZST-UHFFFAOYSA-N;138.21;0.23;;;;;DOPC;MDCG;27;1;"MARTINI bead: SNd_SNd";;;;;;;0.87;;-4.2;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM431647;MM431647;COCC#CC(CN)OC;IRHQIACLXGIVDY-UHFFFAOYSA-N;143.19;-0.39;;;;;DOPC;MDCG;27;1;"MARTINI bead: Na_P2";;;;;;;-0.24;;-4.88;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM431648;MM431648;COC1(C#N)CC1CC=O;ONNKBOUUDOYCDQ-UHFFFAOYSA-N;139.15;0.5;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNa_Na";;;;;;;0.87;;-2.22;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM431649;MM431649;N=CNC1CNC(CN)C1;CVGYVMMMGALZTA-UHFFFAOYSA-N;142.21;-1.13;;;;;DOPC;MDCG;27;1;"MARTINI bead: SP1_SP2";;;;;;;-1.06;;-7.66;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM431650;MM431650;CC=Cc1cc(C#N)c[nH]1;QFFWJSJUFIGMAG-UHFFFAOYSA-N;132.17;1.92;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC5_SN0";;;;;;;1.94;;0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM431651;MM431651;NCC12CC3CC3(N)C1N2;FVMKPBDYYLBXPQ-UHFFFAOYSA-N;139.2;-1.22;;;;;DOPC;MDCG;27;1;"MARTINI bead: SP2_SNd";;;;;;;-0.24;;-5.49;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM431652;MM431652;CC1C(CN)C1N(C)C=N;BHGYVLKLDDIMQG-UHFFFAOYSA-N;141.22;0.12;;;;;DOPC;MDCG;27;1;"MARTINI bead: SNd_P2";;;;;;;-0.24;;-7.2;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM431653;MM431653;COCC#CC(CO)OC;AEFUMXLHVNAWFF-UHFFFAOYSA-N;144.17;-0.36;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_P1";;;;;;;0.04;;-2.54;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM431654;MM431654;C=CC1(CC)CC1NC=N;DHGAADFRZIQSCV-UHFFFAOYSA-N;138.21;1.54;;;;;DOPC;MDCG;27;1;"MARTINI bead: SC3_P3";;;;;;;0.6;;-4.49;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM431655;MM431655;C=NNC1CNC(CO)C1;ZGWKOIICBCSLSU-UHFFFAOYSA-N;143.19;-1.09;;;;;DOPC;MDCG;27;1;"MARTINI bead: SP1_SP1";;;;;;;-0.79;;-5.13;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM431656;MM431656;C=Cc1coc(C=CC)c1;ZPOUWKREHADSHY-UHFFFAOYSA-N;134.18;2.96;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC4_SC5";;;;;;;2.97;;0.45;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM431657;MM431657;NC12CC1CC1(CO)NC12;KPVAAFKBPCKBQC-UHFFFAOYSA-N;140.19;-1.19;;;;;DOPC;MDCG;27;1;"MARTINI bead: SP1_SP1";;;;;;;-0.79;;-4.92;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM431658;MM431658;CC1C(CF)C1N(C)C=O;DORPMXKYTGJETA-UHFFFAOYSA-N;145.18;0.68;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC5_P2";;;;;;;0.54;;-1.09;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM431659;MM431659;COCC#CC(CF)OC;CLEIMDOOUZCUPY-UHFFFAOYSA-N;146.16;0.62;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_Na";;;;;;;0.87;;-2.22;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM431660;MM431660;CCCC=NNC=CC#N;ZTGWJYDKXNUTOH-UHFFFAOYSA-N;137.19;1.4;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_N0";;;;;;;1.94;;0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM431661;MM431661;C=COC1CNC(CC)C1;YSHXXZDMSYTIAZ-UHFFFAOYSA-N;141.21;1.29;;;;;DOPC;MDCG;27;1;"MARTINI bead: SNd_SNa";;;;;;;0.87;;-5.19;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM431662;MM431662;CC=Cc1cc(C=O)co1;PJANPDWAEAVLBQ-UHFFFAOYSA-N;136.15;2.13;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC4_SNa";;;;;;;2.2;;0.34;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM431663;MM431663;CCC1C(C)C1N(N)C=O;AFOOZFFNKDYZMO-UHFFFAOYSA-N;142.2;0.36;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC3_P4";;;;;;;0.52;;-1.59;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM431664;MM431664;NC12CC1CC1(CF)NC12;DJGVUAHHWNLPFN-UHFFFAOYSA-N;142.18;-0.21;;;;;DOPC;MDCG;27;1;"MARTINI bead: SP1_SNda";;;;;;;0.04;;-4.81;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM431666;MM431666;CCC1(C=O)CC1N=CN;JIMUBEBPBACZPR-UHFFFAOYSA-N;140.19;0.34;;;;;DOPC;MDCG;27;1;"MARTINI bead: SNa_P2";;;;;;;-0.24;;-6.25;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM431665;MM431665;CCCC#CC(OC)OC;ZRSKZYGMCVQFKH-UHFFFAOYSA-N;142.2;1.41;;;;;DOPC;MDCG;27;0;"MARTINI bead: C3_P1";;;;;;;1.74;;0.29;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM431667;MM431667;C=COC1CNC(CN)C1;ZDAIXHKRQPYATK-UHFFFAOYSA-N;142.2;-0.16;;;;;DOPC;MDCG;27;1;"MARTINI bead: SP1_SNa";;;;;;;0.04;;-5.33;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM431668;MM431668;CC=Cc1cc(C#N)co1;YQCDCUHGYUSUKF-UHFFFAOYSA-N;133.15;2.18;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC4_SN0";;;;;;;2.5;;0.44;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM431669;MM431669;CNC1C(C)C1N(N)C=O;LECDRAVNAHXUTD-UHFFFAOYSA-N;143.19;-1.08;;;;;DOPC;MDCG;27;1;"MARTINI bead: SNd_P4";;;;;;;-1.19;;-6.39;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM431670;MM431670;CC(=NN)C(=N)N(N)C=O;LSBLCZVMUFVTPJ-UHFFFAOYSA-N;143.15;-1.37;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nd_P4";;;;;;;-1.19;;-4.91;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM431671;MM431671;CC(O)C(C)(C)C;DFOXKPDFWGNLJU-UHFFFAOYSA-N;102.18;1.41;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_C3";;;;;;;1.74;;0.29;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM431672;MM431672;COC(C#CCCO)OC;AGXLPADZVUSBGT-UHFFFAOYSA-N;144.17;-0.01;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_Nda";;;;;;;0.04;;-2.73;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM431673;MM431673;C=CCC1COC(CC)C1;ANJNEWMMZYQLCN-UHFFFAOYSA-N;140.23;2.38;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC5_SC5";;;;;;;2.41;;0.64;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM431674;MM431674;C=Cc1cc(C=CC)on1;OFNSNPMZNXTILF-UHFFFAOYSA-N;135.17;2.35;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC5_SNa";;;;;;;1.64;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM431675;MM431675;C=CC(N)C1C(CC)N1C;VQCUJKDZPIDYSW-UHFFFAOYSA-N;140.23;0.59;;;;;DOPC;MDCG;27;1;"MARTINI bead: SNd_P1";;;;;;;0.04;;-4.29;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM431676;MM431676;CCC12CC3CC3(F)C1N2;YKSPRUGRISRGPI-UHFFFAOYSA-N;141.19;1.24;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNd_SC5";;;;;;;1.64;;0.03;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM431677;MM431677;CCC1(C#N)CC1NC=O;VEECXDVGENDSIM-UHFFFAOYSA-N;138.17;0.42;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC5_P3";;;;;;;-0.33;;-2.01;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM431678;MM431678;C=CCC#CC(CC)CC;IPDNFQRFEBFTJW-UHFFFAOYSA-N;136.24;3;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1_C5";;;;;;;3.68;;0.46;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM431679;MM431679;CCC1CC(CC#N)CO1;WGGXBNPAHNEEKS-UHFFFAOYSA-N;139.2;1.72;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC5_SN0";;;;;;;1.94;;0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM431680;MM431680;CN1C(CO)C1C(O)C#N;UGSYEKSTJKPDFO-UHFFFAOYSA-N;142.16;-1.45;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP1_P3";;;;;;;-1.93;;-4.72;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM431681;MM431681;C=NN(C)C(=N)C(C)=NN;WOAWQSLEDYBOMR-UHFFFAOYSA-N;141.18;-0.15;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_Nd";;;;;;;-0.24;;-3.16;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM431682;MM431682;CC=Cc1cc(C=O)no1;OEDOSSZXVAWEGS-UHFFFAOYSA-N;137.14;1.52;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC5_SNa";;;;;;;1.64;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM431683;MM431683;C=CC1(CN)CC1NC=N;UMSIVEDXPMMJBY-UHFFFAOYSA-N;139.2;0.09;;;;;DOPC;MDCG;27;1;"MARTINI bead: SNd_P3";;;;;;;-1.1;;-7.71;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM431684;MM431684;CCC(C#CCC=O)CC;NJPFRZKARVAIQN-UHFFFAOYSA-N;138.21;2.02;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1_Na";;;;;;;2.91;;0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM431685;MM431685;C=CCC1COC(CN)C1;ZBASBJRMTXCEDT-UHFFFAOYSA-N;141.21;0.93;;;;;DOPC;MDCG;27;1;"MARTINI bead: SP1_SC5";;;;;;;0.81;;-2.56;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM431686;MM431686;CC12NC1CC1(CN)NC12;PXWCMBSDZYDIMG-UHFFFAOYSA-N;139.2;-1.21;;;;;DOPC;MDCG;27;1;"MARTINI bead: SP1_SP2";;;;;;;-1.06;;-5.79;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM431687;MM431687;CCN1C(C)C1C(C)C#N;UOSWZTWIHVYWGK-UHFFFAOYSA-N;138.21;1.24;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNd_P1";;;;;;;0.04;;-2.63;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM431688;MM431688;CC=Cc1cc(C#N)no1;VFEIPCDBOGVAHE-UHFFFAOYSA-N;134.14;1.58;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC5_SNa";;;;;;;1.64;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM431689;MM431689;C=CC1(CN)CC1NC=O;XXBFMZNCEOVJCO-UHFFFAOYSA-N;140.19;-0.36;;;;;DOPC;MDCG;27;1;"MARTINI bead: SNd_P3";;;;;;;-1.1;;-5.93;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM431690;MM431690;CCC(C#CCC#N)CC;WMVDJKOUIKABRA-UHFFFAOYSA-N;135.21;2.34;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1_N0";;;;;;;3.21;;0.46;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM431691;MM431691;COc1nnc(N)n1N;IOGAHNOTMUVIAI-UHFFFAOYSA-N;129.12;-1.42;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP1_SP3";;;;;;;-1.93;;-4.72;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM431692;MM431692;CC12OC1CC1(CN)NC12;WSQXXZIWJWJDBM-UHFFFAOYSA-N;140.19;-0.78;;;;;DOPC;MDCG;27;1;"MARTINI bead: SNa_SP2";;;;;;;-0.24;;-5.21;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM431693;MM431693;C=Cc1coc(C=CC)n1;MKAYMEVTILHBGF-UHFFFAOYSA-N;135.17;2.35;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC5_SNa";;;;;;;1.64;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM431694;MM431694;C=CCC1COC(CO)C1;CUPYWLKEEQJWJG-UHFFFAOYSA-N;142.2;0.96;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP1_SC5";;;;;;;0.81;;-0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM431695;MM431695;C=CC1(CO)CC1NC=O;IRNARYLPKAKCEE-UHFFFAOYSA-N;141.17;-0.33;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNda_P3";;;;;;;-1.1;;-3.97;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM431696;MM431696;C=CCC#CC(CC)CN;CCZGXARKZUWILW-UHFFFAOYSA-N;137.23;1.55;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_C5";;;;;;;1.64;;-2.35;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM431697;MM431697;C#Cc1nnc(N)n1N;DZOIMRWGYHERFV-UHFFFAOYSA-N;123.12;-1.44;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP2_SP2";;;;;;;-1.34;;-4.31;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM431698;MM431698;C=CC=NNCC(C)C#N;IFJFVWBFKGGSOD-UHFFFAOYSA-N;137.19;0.91;;;;;DOPC;MDCG;27;0;"MARTINI bead: N0_Nd";;;;;;;1.17;;-1.04;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM431699;MM431699;CC=Cc1nc(C=O)co1;KPVCRGOPOQHVQB-UHFFFAOYSA-N;137.14;1.52;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC5_SP1";;;;;;;0.81;;-0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM431700;MM431700;N#CCC1COC(CO)C1;LGFAKDYGAAWTCT-UHFFFAOYSA-N;141.17;0.3;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP1_SN0";;;;;;;0.34;;-1.53;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM431701;MM431701;O=CNC1CC1(C=O)CO;HQFUUBKALLGFIW-UHFFFAOYSA-N;143.14;-1.32;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP1_P3";;;;;;;-1.93;;-4.72;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM431702;MM431702;C=CC(C)N1C(C)C1CN;KXWLMKFEMVEWRW-UHFFFAOYSA-N;140.23;0.59;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_SP2";;;;;;;-0.24;;-5.09;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM431703;MM431703;NN=C1CCC(=NN)O1;GAHYRDRVXAETOC-UHFFFAOYSA-N;128.14;-0.66;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNd_SNda";;;;;;;0.87;;-1.92;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM431704;MM431704;C=CCC1COC(CF)C1;RSGUPYVITCNQQX-UHFFFAOYSA-N;144.19;1.94;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNa_SC5";;;;;;;1.64;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM431705;MM431705;CC(=N)N=C(N)C=O;OZFFJKYIFPYMFB-UHFFFAOYSA-N;113.12;-0.46;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nd_P3";;;;;;;-1.1;;-3.93;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM431706;MM431706;CC12CC1CC1(CN)OC12;IKACOGHGCUEFRB-UHFFFAOYSA-N;139.2;0.51;;;;;DOPC;MDCG;27;1;"MARTINI bead: SC5_SP1";;;;;;;0.81;;-2.53;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM431707;MM431707;CC=Cc1nc(C#N)co1;MZJDGWZXYHUZJG-UHFFFAOYSA-N;134.14;1.58;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC5_SNa";;;;;;;1.64;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM431708;MM431708;CC1C(C(=O)C=O)N1C;YARYHVYWUCSCFK-UHFFFAOYSA-N;127.14;-0.54;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNd_Na";;;;;;;0.87;;-1.88;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM431709;MM431709;N#CCC1COC(CF)C1;BRNKIJUDMHRMML-UHFFFAOYSA-N;143.16;1.27;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNa_SN0";;;;;;;1.17;;-1.18;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM431710;MM431710;CCC1C(C)N1N(C)C=O;WIRAVLZDRLBTKK-UHFFFAOYSA-N;142.2;0.47;;;;;DOPC;MDCG;27;0;"MARTINI bead: SN0_P4";;;;;;;-0.88;;-3.74;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM431711;MM431711;N#CC1(CF)CC1NC=N;YLXORYYPGLQTQH-UHFFFAOYSA-N;141.15;0.43;;;;;DOPC;MDCG;27;1;"MARTINI bead: SNa_P3";;;;;;;-1.1;;-7.7;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM431712;MM431712;C=Cc1noc(C=CC)n1;WMNNPZVTAPOUPE-UHFFFAOYSA-N;136.15;1.75;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNa_SNa";;;;;;;0.87;;-2.22;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM431713;MM431713;CC12CC1CC1(CO)OC12;WFRVDRFWWQHZPR-UHFFFAOYSA-N;140.18;0.55;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC5_SP1";;;;;;;0.81;;-0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM431714;MM431714;CCC(C#CCC#N)CO;SWQJGXNDQPTBIK-UHFFFAOYSA-N;137.18;0.92;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda_N0";;;;;;;1.17;;-1.13;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM431715;MM431715;CC=Cc1nc(C=O)no1;LSPTYEMZYBXZOU-UHFFFAOYSA-N;138.13;0.92;;;;;DOPC;MDCG;27;0;"MARTINI bead: SN0_SP1";;;;;;;0.34;;-1.53;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM431716;MM431716;C=CCC1COC(OC)C1;IWAOHTYBXJGDGM-UHFFFAOYSA-N;142.2;1.57;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNa_SC5";;;;;;;1.64;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM431717;MM431717;C#CC(C)C1C(C)C1CC;AGMOIDGYYNWWDQ-UHFFFAOYSA-N;136.24;2.55;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC3_C5";;;;;;;3.34;;0.48;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM431718;MM431718;CCC12CC3CC3(N)C1O2;NFPJTHZBTCSTQU-UHFFFAOYSA-N;139.2;0.66;;;;;DOPC;MDCG;27;1;"MARTINI bead: SC5_SNd";;;;;;;1.64;;-2.04;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM431719;MM431719;O=CNC1CC1(C=O)CF;ULIUJZACPXOJLR-UHFFFAOYSA-N;145.13;-0.34;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNa_P3";;;;;;;-1.1;;-4.2;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM431720;MM431720;C=CCC#CC(CC)CF;NWJRILCVQSRLRF-UHFFFAOYSA-N;140.2;2.56;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4_C5";;;;;;;2.97;;0.45;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM431721;MM431721;C=NNC(=N)C1NC1C;HVGXJZNFWTZAND-UHFFFAOYSA-N;126.16;-0.47;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP1_P2";;;;;;;-1.06;;-3.82;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM431722;MM431722;COC1CC(CC#N)CO1;VCHJPQHZGUGRRO-UHFFFAOYSA-N;141.17;0.91;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNa_SN0";;;;;;;1.17;;-1.18;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM431723;MM431723;NCC12CC3CC3(N)C1O2;KKKKRLGNXJJXNS-UHFFFAOYSA-N;140.19;-0.8;;;;;DOPC;MDCG;27;1;"MARTINI bead: SP1_SNd";;;;;;;0.04;;-5.02;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM431724;MM431724;C#CC1=CCC(C=CC)=C1;ZNRMQDBKHVDBMN-UHFFFAOYSA-N;130.19;2.45;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC3_SC5";;;;;;;3.34;;0.48;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM431725;MM431725;N#CC1(CF)CC1NC=O;BTNDIKZRGNAKSK-UHFFFAOYSA-N;142.13;-0.02;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNa_P3";;;;;;;-1.1;;-4.2;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM431726;MM431726;CCC(C#CCC=O)CF;DRKQOFWEZKIRRA-UHFFFAOYSA-N;142.17;1.57;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4_Na";;;;;;;2.2;;0.34;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM431727;MM431727;NC12CC1CC1(CO)OC12;UWHBPVYEBPGKTK-UHFFFAOYSA-N;141.17;-0.76;;;;;DOPC;MDCG;27;1;"MARTINI bead: SP1_SP1";;;;;;;-0.79;;-4.98;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM431728;MM431728;C#CC(N)C1C(C)C1CC;PNKKPQGMZQVBGK-UHFFFAOYSA-N;137.23;1.24;;;;;DOPC;MDCG;27;1;"MARTINI bead: SC3_P2";;;;;;;1.46;;-1.88;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM431729;MM431729;C=C1OC(=NN)CC1C;KAKONEDARQSGFN-UHFFFAOYSA-N;126.16;0.83;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNd_SC5";;;;;;;1.64;;0.02;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM431730;MM431730;CCC1CC(NC=N)CO1;YNYRIVOKFYRSFA-UHFFFAOYSA-N;142.2;0.75;;;;;DOPC;MDCG;27;1;"MARTINI bead: SC5_SP2";;;;;;;0.54;;-4.69;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM431731;MM431731;C=CC1(CC)CC1NN=C;XFEYTILGYZKTTB-UHFFFAOYSA-N;138.21;1.55;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC3_P2";;;;;;;1.46;;-0.15;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM431732;MM431732;CCC(C#CCC#N)CF;XFTOQBSWENXBAO-UHFFFAOYSA-N;139.17;1.9;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4_N0";;;;;;;2.5;;0.44;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM431733;MM431733;NC12CC1CC1(CF)OC12;MOVRQGGPQWIFMM-UHFFFAOYSA-N;143.16;0.21;;;;;DOPC;MDCG;27;1;"MARTINI bead: SP1_SNa";;;;;;;0.04;;-4.68;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM431734;MM431734;C=NNC1COC(CC)C1;GCDGJYBPBFSPTM-UHFFFAOYSA-N;142.2;0.76;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC5_SP1";;;;;;;0.81;;-0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM431735;MM431735;C#Cc1c[nH]c(C=CC)c1;NJKFJXSDLQUJSL-UHFFFAOYSA-N;131.18;2.03;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC5_SN0";;;;;;;1.94;;0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM431736;MM431736;C#CC(N)C1C(C)C1CF;JHYMXELPNUJQSX-UHFFFAOYSA-N;141.19;0.8;;;;;DOPC;MDCG;27;1;"MARTINI bead: SC5_P2";;;;;;;0.54;;-2.92;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM431737;MM431737;CN(N)C(=O)CCF;WRUMPBNHYPEPPN-UHFFFAOYSA-N;120.13;-0.32;;;;;DOPC;MDCG;27;0;"MARTINI bead: P4_C5";;;;;;;-0.41;;-2.78;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM431738;MM431738;CCC12CC3CC3(O)C1O2;MURDQHZIQUHVOZ-UHFFFAOYSA-N;140.18;0.69;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC5_SNda";;;;;;;1.64;;0.05;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM431739;MM431739;C=CCC#CC(CN)CF;JWEPQAFVECTBMG-UHFFFAOYSA-N;141.19;1.11;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1_C5";;;;;;;0.81;;-2.86;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM431740;MM431740;C#CC(O)C1C(C)C1CN;QEZLFTWUEALSFH-UHFFFAOYSA-N;139.2;-0.18;;;;;DOPC;MDCG;27;1;"MARTINI bead: SNd_P2";;;;;;;-0.24;;-5.64;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM431741;MM431741;C=C1OC(=NN)CC1F;CQEABBSPWDKCQS-UHFFFAOYSA-N;130.12;0.53;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNd_SNa";;;;;;;0.87;;-1.88;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM431742;MM431742;C=COC1COC(CC)C1;AUCVFAVXQXSKMO-UHFFFAOYSA-N;142.2;1.71;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC5_SNa";;;;;;;1.64;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM431743;MM431743;C=CC1(CN)CC1NN=C;MZXWUFUEBVBITR-UHFFFAOYSA-N;139.2;0.1;;;;;DOPC;MDCG;27;1;"MARTINI bead: SNd_P2";;;;;;;-0.24;;-5.26;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM431744;MM431744;NCC12CC3CC3(O)C1O2;AXMPPZAJPCEUBG-UHFFFAOYSA-N;141.17;-0.76;;;;;DOPC;MDCG;27;1;"MARTINI bead: SP1_SNda";;;;;;;0.04;;-4.47;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM431745;MM431745;N#CCC#CC(CO)CO;ACDKZMIPBOASMO-UHFFFAOYSA-N;139.15;-0.5;;;;;DOPC;MDCG;27;0;"MARTINI bead: P3_N0";;;;;;;-0.8;;-2.99;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM431746;MM431746;C#Cc1coc(C=CC)c1;IAHCGTCSUSQWNH-UHFFFAOYSA-N;132.16;2.29;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC4_SN0";;;;;;;2.5;;0.44;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM431747;MM431747;C#CC(C)C1C(C)C1NC;BPUWEMAHZISRBV-UHFFFAOYSA-N;137.23;1.11;;;;;DOPC;MDCG;27;1;"MARTINI bead: SNd_C5";;;;;;;1.64;;-2.79;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM431748;MM431748;C=CCC1CC(CC)CN1;VRNNBFVIMJFZCZ-UHFFFAOYSA-N;139.24;1.95;;;;;DOPC;MDCG;27;1;"MARTINI bead: SN0_SNd";;;;;;;1.17;;-5.14;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM431749;MM431749;N=C1NC(N)=CC1=O;PASUXOMRAYKFIM-UHFFFAOYSA-N;111.1;-1.06;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP1_SP2";;;;;;;-1.06;;-3.82;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM431750;MM431750;OCC12CC3CC3(O)C1O2;NDMBSAPIXKEFCM-UHFFFAOYSA-N;142.15;-0.73;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP1_SNda";;;;;;;0.04;;-2.73;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM431751;MM431751;C=CCC#CC(CO)CF;FSFCOHUVMCTCSG-UHFFFAOYSA-N;142.17;1.14;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_C5";;;;;;;0.81;;-0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM431752;MM431752;C=NNC(=N)C1CN1C;FFXICSKQRJPJCY-UHFFFAOYSA-N;126.16;-0.52;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP1_P2";;;;;;;-1.06;;-3.82;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM431753;MM431753;C#Cc1cc(C=CC)on1;VOPKZHCWLCZJCD-UHFFFAOYSA-N;133.15;1.69;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC5_SNa";;;;;;;1.64;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM431754;MM431754;CCC1CNC(CC#N)C1;IINFTGRTXNEPGO-UHFFFAOYSA-N;138.21;1.29;;;;;DOPC;MDCG;27;1;"MARTINI bead: SN0_SP1";;;;;;;0.34;;-3.23;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM431755;MM431755;C=CC1(NC)CC1NC=N;DGXBASAHCWYHAJ-UHFFFAOYSA-N;139.2;0.1;;;;;DOPC;MDCG;27;1;"MARTINI bead: SNd_P3";;;;;;;-1.1;;-7.48;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM431756;MM431756;OC12CC1CC1(CF)OC12;FGWZXBUJZHFJFM-UHFFFAOYSA-N;144.15;0.25;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP1_SNa";;;;;;;0.04;;-2.54;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM431757;MM431757;O=CCC#CC(CO)CF;DVIXFBVJCQXNOU-UHFFFAOYSA-N;144.15;0.16;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_Na";;;;;;;0.04;;-2.54;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM431758;MM431758;C#Cc1coc(C=CC)n1;ZHYZCZPNUYOHAQ-UHFFFAOYSA-N;133.15;1.69;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC5_SNa";;;;;;;1.64;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM431759;MM431759;C=CC1C(C)C1C(C)CN;AYQZGUJHCHCCOO-UHFFFAOYSA-N;139.24;1.65;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_SC4";;;;;;;2.2;;-2.23;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM431760;MM431760;C=CCC1CC(OC)CN1;QFTXGCJGYSFARH-UHFFFAOYSA-N;141.21;0.94;;;;;DOPC;MDCG;27;1;"MARTINI bead: SP1_SNd";;;;;;;0.04;;-5.83;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM431761;MM431761;C=CC1(NC)CC1NC=O;ANXOZARZVPYIOS-UHFFFAOYSA-N;140.19;-0.35;;;;;DOPC;MDCG;27;1;"MARTINI bead: SNd_P3";;;;;;;-1.1;;-5.13;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM431762;MM431762;CCC12CC3CC3(F)C1O2;WNXZMIQXFFLKAT-UHFFFAOYSA-N;142.17;1.67;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC5_SC5";;;;;;;2.41;;0.64;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM431763;MM431763;C#Cc1noc(C=CC)n1;BKEGQJMHFJRJOC-UHFFFAOYSA-N;134.14;1.08;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNa_SP1";;;;;;;0.04;;-2.54;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM431764;MM431764;N#CCC#CC(CO)CF;ZICGGKPCQCDVSO-UHFFFAOYSA-N;141.15;0.48;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_N0";;;;;;;0.34;;-1.53;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM431765;MM431765;C=CC1C(C)C1C(N)CN;IWMSRZBFKQUTSC-UHFFFAOYSA-N;140.23;0.34;;;;;DOPC;MDCG;27;1;"MARTINI bead: SC4_P4";;;;;;;0.15;;-4.49;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM431766;MM431766;C=CCC1CC(CO)CO1;ALSILSKGKPLLBK-UHFFFAOYSA-N;142.2;0.96;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP1_SC5";;;;;;;0.81;;-0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM431767;MM431767;CNC1(C#N)CC1NC=N;NHPQUEWZMDRWOV-UHFFFAOYSA-N;138.17;-0.56;;;;;DOPC;MDCG;27;1;"MARTINI bead: SP1_P3";;;;;;;-1.93;;-8;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM431768;MM431768;NCC12CC3CC3(F)C1O2;AMHAFYONINVHNU-UHFFFAOYSA-N;143.16;0.21;;;;;DOPC;MDCG;27;1;"MARTINI bead: SP1_SC5";;;;;;;0.81;;-2.53;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM431769;MM431769;CC#CC1=CC(CC)=CC1;TVAYUUKGLJNOKL-UHFFFAOYSA-N;132.21;2.68;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC3_SC4";;;;;;;3.9;;0.47;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM431770;MM431770;C=CC1C(N)C1C(C)CF;WEUHWPWEALZFFI-UHFFFAOYSA-N;143.21;1.35;;;;;DOPC;MDCG;27;1;"MARTINI bead: C4_SNd";;;;;;;2.2;;-2.03;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM431771;MM431771;O=CCC#CC(CF)CF;GHKXIWKIUDWRHB-UHFFFAOYSA-N;146.14;1.13;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_Na";;;;;;;0.87;;-2.22;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM431772;MM431772;COC1COC(CC#N)C1;TYRFHSCZNKAFEU-UHFFFAOYSA-N;141.17;0.7;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNa_SNa";;;;;;;0.87;;-2.22;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM431773;MM431773;CC12CCCC1(O)C2;XSZXZLMLFITZQP-UHFFFAOYSA-N;112.17;1.31;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC3_SNda";;;;;;;2.57;;0.44;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM431774;MM431774;OCC12CC3CC3(F)C1O2;DFTRPGUNRQWBKA-UHFFFAOYSA-N;144.15;0.25;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP1_SC5";;;;;;;0.81;;-0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM431775;MM431775;CC#CC1=CC(CN)=CC1;LGAAPIQVKKEPQF-UHFFFAOYSA-N;133.19;1.22;;;;;DOPC;MDCG;27;1;"MARTINI bead: SC4_SNd";;;;;;;2.2;;-1.62;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM431776;MM431776;C=CC1C(N)C1C(N)CC;PJHHNAHTZJIADD-UHFFFAOYSA-N;140.23;0.48;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_SNd";;;;;;;0.87;;-4.97;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM431777;MM431777;C=CCC#CC(CC)NC;XHTXZCGYPXVZII-UHFFFAOYSA-N;137.23;1.56;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_C5";;;;;;;1.64;;-1.84;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM431778;MM431778;C=CCC1CCC(CC)N1;IEPZWYLSXAEQEA-UHFFFAOYSA-N;139.24;2.09;;;;;DOPC;MDCG;27;1;"MARTINI bead: SN0_SNd";;;;;;;1.17;;-5.24;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM431779;MM431779;Nc1cnc(=O)on1;PKPXDTZUMKJFGG-UHFFFAOYSA-N;113.08;-0.99;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP3_SP3";;;;;;;-3.07;;-6.15;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM431780;MM431780;FCC12CC3CC3(F)C1O2;HMWPAQVFBVDFEQ-UHFFFAOYSA-N;146.14;1.23;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNa_SC5";;;;;;;1.64;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM431781;MM431781;CC#CC1=CC(CO)=CC1;LPJUNGMFEYHWOE-UHFFFAOYSA-N;134.18;1.26;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC4_SNda";;;;;;;2.2;;0.49;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM431782;MM431782;CCC(C#CCC=O)NC;RAJFCOGSEKEOKR-UHFFFAOYSA-N;139.2;0.58;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_Na";;;;;;;0.87;;-3.71;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM431783;MM431783;C=CC1C(O)C1C(N)CN;DWUSCECSCPXWNT-UHFFFAOYSA-N;142.2;-0.93;;;;;DOPC;MDCG;27;1;"MARTINI bead: P4_SNda";;;;;;;-1.19;;-6.88;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM431784;MM431784;CCC1CCC(CC#N)N1;KXOVJDQAOZIJHO-UHFFFAOYSA-N;138.21;1.43;;;;;DOPC;MDCG;27;1;"MARTINI bead: SNd_SP1";;;;;;;0.04;;-4.41;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM431785;MM431785;C=COC1CC1(C=C)CC;ZKPKPTSJOAWYRX-UHFFFAOYSA-N;138.21;2.5;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC3_Na";;;;;;;2.57;;0.45;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM431786;MM431786;CC12NC1CC1(CN)OC12;OVKAOGLFHRGYBJ-UHFFFAOYSA-N;140.19;-0.78;;;;;DOPC;MDCG;27;1;"MARTINI bead: SP1_SP1";;;;;;;-0.79;;-5.18;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM431787;MM431787;CC#CC1=CC(CF)=CC1;DLAIXVDVDGRXTI-UHFFFAOYSA-N;136.17;2.24;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC4_SC5";;;;;;;2.97;;0.45;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM431788;MM431788;CCC(C#CCC#N)NC;BHVJCUQGHXVPNY-UHFFFAOYSA-N;136.2;0.9;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_N0";;;;;;;1.17;;-2.95;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM431789;MM431789;C=CC1C(C)C1C(C)NC;MIDPJXMBFVPJPF-UHFFFAOYSA-N;139.24;1.66;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_SC4";;;;;;;2.2;;-2.68;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM431790;MM431790;N#CCC1CCC(CO)N1;XTNORWAXKCPEKO-UHFFFAOYSA-N;140.19;0.01;;;;;DOPC;MDCG;27;1;"MARTINI bead: SP1_SP1";;;;;;;-0.79;;-4.18;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM431791;MM431791;CON=CNNC(=N)C#N;RWQLMDMHBJMZHW-UHFFFAOYSA-N;141.13;-0.83;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_P2";;;;;;;-1.34;;-4.31;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM431792;MM431792;C=CC1(CC)CC1OC=O;MXJPEDCRKXQPMH-UHFFFAOYSA-N;140.18;1.51;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC3_P1";;;;;;;1.74;;0.29;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM431793;MM431793;CC#CC1=CC(OC)=CC1;KHILABUCEANWFY-UHFFFAOYSA-N;134.18;1.87;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNa_SC4";;;;;;;2.2;;0.34;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM431794;MM431794;C=CC1C(N)C1N(C)CC;UOBLBFPEAYZRKC-UHFFFAOYSA-N;140.23;0.45;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_SNd";;;;;;;0.87;;-4.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM431795;MM431795;C=CCC#CC(CC)OC;GNVUBVLONXBTLX-UHFFFAOYSA-N;138.21;1.99;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_C5";;;;;;;1.64;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM431796;MM431796;C=CCC1CCC(CO)O1;SYMLTDCWUUNTQG-UHFFFAOYSA-N;142.2;1.1;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP1_SC5";;;;;;;0.81;;-0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM431797;MM431797;CC12OC1CC1(CO)OC12;WWWNRYZVNCRYCG-UHFFFAOYSA-N;142.15;-0.32;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNa_SP1";;;;;;;0.04;;-2.54;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM431798;MM431798;C=COC1CC1(C=O)CC;QVPOCTYXZVICHC-UHFFFAOYSA-N;140.18;1.51;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNa_Na";;;;;;;0.87;;-2.22;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM431799;MM431799;CC#Cc1cc(CC)c[nH]1;NRIDEPGVWHBRLA-UHFFFAOYSA-N;133.19;1.95;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC5_SC5";;;;;;;2.41;;0.64;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM431800;MM431800;C=CC1C(C(N)CC)N1C;XCPZVWWQPXJCOJ-UHFFFAOYSA-N;140.23;0.59;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_SNd";;;;;;;0.87;;-4.33;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM431801;MM431801;CCC(C#CCC=O)OC;YKGMSHATSRMGIY-UHFFFAOYSA-N;140.18;1;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_Na";;;;;;;0.87;;-2.22;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM431802;MM431802;N#CCC1CCC(CO)O1;BZUPMYHDIHEYIP-UHFFFAOYSA-N;141.17;0.44;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP1_SN0";;;;;;;0.34;;-1.53;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM431803;MM431803;CC12CN1CC1(CN)CC12;OUDWTILMJANXEG-UHFFFAOYSA-N;138.21;0.04;;;;;DOPC;MDCG;27;1;"MARTINI bead: SP1_SP2";;;;;;;-1.06;;-5.97;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM431804;MM431804;C=COC1CC1(C#N)CC;MAEQCWNQQYCDLB-UHFFFAOYSA-N;137.18;1.84;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC5_Na";;;;;;;1.64;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM431805;MM431805;CC#Cc1cc(CN)c[nH]1;ZNMFZQLHFXFJSS-UHFFFAOYSA-N;134.18;0.84;;;;;DOPC;MDCG;27;1;"MARTINI bead: SC5_SP1";;;;;;;0.81;;-2.36;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM431806;MM431806;C=CC1C(C(N)CO)N1C;ONTUMRAYXKAHBI-UHFFFAOYSA-N;142.2;-0.83;;;;;DOPC;MDCG;27;1;"MARTINI bead: SNd_P3";;;;;;;-1.1;;-5.53;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM431807;MM431807;CCC(C#CCC#N)OC;JGZWYYGCSGVGKK-UHFFFAOYSA-N;137.18;1.33;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_N0";;;;;;;1.17;;-1.18;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM431808;MM431808;N#CCC1CCC(CF)O1;WZONLLMYADDASC-UHFFFAOYSA-N;143.16;1.42;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNa_SNa";;;;;;;0.87;;-2.22;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM431809;MM431809;COC(C)=NN=CC=NN;HMGLCMZXDVMIRX-UHFFFAOYSA-N;142.16;-0.02;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_Nd";;;;;;;0.87;;-1.88;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM431810;MM431810;CCC1(C#N)CC1OC=O;DQZMLZQVMPHPEC-UHFFFAOYSA-N;139.15;0.85;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC5_P1";;;;;;;0.81;;-0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM431811;MM431811;CC#Cc1cc(CO)c[nH]1;KCUIZWBBYOZWOJ-UHFFFAOYSA-N;135.17;0.88;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC5_SNda";;;;;;;1.64;;0.05;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM431812;MM431812;CCn1ccc(NN)n1;KREZLVQDKZOBGP-UHFFFAOYSA-N;126.16;0.19;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNa_SP1";;;;;;;0.04;;-2.54;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM431813;MM431813;CNC12CC1C1(C)CN1C2;SJOMDPNOKGIFBH-UHFFFAOYSA-N;138.21;0.05;;;;;DOPC;MDCG;27;1;"MARTINI bead: SNd_SP1";;;;;;;0.04;;-4.84;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM431814;MM431814;C=CCC#CC(CN)OC;ITYGSBYZXIMUMI-UHFFFAOYSA-N;139.2;0.54;;;;;DOPC;MDCG;27;1;"MARTINI bead: P2_C5";;;;;;;0.54;;-2.75;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM431815;MM431815;C=COC1CC1(C=C)CN;GDAQKFZLXGJFSD-UHFFFAOYSA-N;139.2;1.05;;;;;DOPC;MDCG;27;1;"MARTINI bead: SNd_Na";;;;;;;0.87;;-4.26;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM431816;MM431816;C=CCC1CCN(CC)C1;AOEYIILKZRMZKW-UHFFFAOYSA-N;139.24;1.9;;;;;DOPC;MDCG;27;1;"MARTINI bead: SNd_SC5";;;;;;;1.64;;-2.88;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM431817;MM431817;CC#Cc1cc(CF)c[nH]1;FNNCGJIGQCKEDV-UHFFFAOYSA-N;137.16;1.86;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC5_SNa";;;;;;;1.64;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM431818;MM431818;CCN1CCC(=O)C=N1;JAUQVLLQHLOWJV-UHFFFAOYSA-N;126.16;0.27;;;;;DOPC;MDCG;27;0;"MARTINI bead: SN0_SP1";;;;;;;0.34;;-1.53;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM431819;MM431819;C=CCC#CC(CO)OC;MRRWTVXERMVDNB-UHFFFAOYSA-N;140.18;0.57;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_C5";;;;;;;0.54;;-1.09;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM431820;MM431820;CC12CN1CC1(CN)NC12;DQFZDKUFZFDZKI-UHFFFAOYSA-N;139.2;-1.26;;;;;DOPC;MDCG;27;1;"MARTINI bead: SP1_SP3";;;;;;;-1.93;;-6.35;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM431821;MM431821;CCN1CCC(CC#N)C1;QKMYEKUXLYPHBG-UHFFFAOYSA-N;138.21;1.24;;;;;DOPC;MDCG;27;1;"MARTINI bead: SNd_SP1";;;;;;;0.04;;-4.33;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM431822;MM431822;C=CC1(CN)CC1OC=O;PVNYBZYDULRVBY-UHFFFAOYSA-N;141.17;0.06;;;;;DOPC;MDCG;27;1;"MARTINI bead: SNd_P1";;;;;;;0.04;;-5;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM431823;MM431823;C=C1CC(=NN)OC1C;VGWAAUWUEZSUBC-UHFFFAOYSA-N;126.16;0.62;;;;;DOPC;MDCG;27;0;"MARTINI bead: SN0_SNda";;;;;;;1.17;;-1.13;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM431824;MM431824;C=CC1C(C(C)NC)N1C;KLBAJMSXLJMCAN-UHFFFAOYSA-N;140.23;0.46;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_SNd";;;;;;;0.87;;-4.75;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM431825;MM431825;CCC12CN3CC3(C)C1O2;ZZMLZQKCFVODDN-UHFFFAOYSA-N;139.2;0.62;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNa_SNd";;;;;;;0.87;;-1.88;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM431826;MM431826;C=CCN1CCC(CC)C1;APMDVQGZCPJFMQ-UHFFFAOYSA-N;139.24;1.9;;;;;DOPC;MDCG;27;1;"MARTINI bead: SN0_SNd";;;;;;;1.17;;-3.47;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM431827;MM431827;COC(C#CCC=O)CO;WIZSZHKUCUXTIM-UHFFFAOYSA-N;142.15;-0.41;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_Na";;;;;;;0.04;;-2.54;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM431828;MM431828;C=CC1(CO)CC1OC=O;NZGNJJMSRRBWKJ-UHFFFAOYSA-N;142.15;0.1;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNda_P1";;;;;;;0.04;;-2.73;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM431829;MM431829;CC#Cc1cc(OC)c[nH]1;XWNYDSYIIAGZOX-UHFFFAOYSA-N;135.17;1.39;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNa_SC5";;;;;;;1.64;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM431830;MM431830;CCC(C)C1C(C)N1C=N;QTOSONZHFGHJFU-UHFFFAOYSA-N;140.23;1.71;;;;;DOPC;MDCG;27;1;"MARTINI bead: C1_SP1";;;;;;;2.08;;-1.28;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM431831;MM431831;CC12CN1CC1(CN)OC12;NLLUXTUULSEXID-UHFFFAOYSA-N;140.19;-0.83;;;;;DOPC;MDCG;27;1;"MARTINI bead: SP1_SP3";;;;;;;-1.93;;-6.41;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM431832;MM431832;CCC1CCN(CC#N)C1;OHKDBQPJIVZSJV-UHFFFAOYSA-N;138.21;1.24;;;;;DOPC;MDCG;27;0;"MARTINI bead: SN0_SNd";;;;;;;1.17;;-1.04;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM431833;MM431833;N#CC1(CO)CC1OC=O;MHPRGDDEQRCURP-UHFFFAOYSA-N;141.13;-0.57;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP1_P1";;;;;;;-0.79;;-3.13;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM431834;MM431834;C=CCC#CC(CF)OC;AYFMRPFGEWSYBY-UHFFFAOYSA-N;142.17;1.55;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_C5";;;;;;;1.64;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM431835;MM431835;CC#Cc1cc(CC)co1;WIKMTKXJJGGIEB-UHFFFAOYSA-N;134.18;2.21;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC4_SC5";;;;;;;2.97;;0.45;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM431836;MM431836;CC(CF)C1C(C)N1C=N;AUAMGYYRLNEZOB-UHFFFAOYSA-N;144.19;1.27;;;;;DOPC;MDCG;27;1;"MARTINI bead: C4_SP1";;;;;;;1.37;;-2.78;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM431837;MM431837;C=CC=NN=C(NC)OC;XUJUZHNWWLRZSU-UHFFFAOYSA-N;141.17;0.38;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_C5";;;;;;;0.54;;-1.09;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM431838;MM431838;CC12CC1CC1(CN)CN12;XLKHIJQNBQEPNH-UHFFFAOYSA-N;138.21;0.18;;;;;DOPC;MDCG;27;1;"MARTINI bead: SNd_SP1";;;;;;;0.04;;-4.63;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM431839;MM431839;N#CC1(CF)CC1OC=O;LPGFKJWFZPNVKF-UHFFFAOYSA-N;143.12;0.41;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNa_P1";;;;;;;0.04;;-2.54;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM431840;MM431840;C=CCC#CC(OC)OC;CERQHLZEMJJBQB-UHFFFAOYSA-N;140.18;1.18;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_C5";;;;;;;0.81;;-0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM431841;MM431841;CC#Cc1cc(CN)co1;UKAVZIVXZGERKR-UHFFFAOYSA-N;135.17;1.11;;;;;DOPC;MDCG;27;1;"MARTINI bead: SC5_SNd";;;;;;;1.64;;-1.16;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM431842;MM431842;CC(CO)C1C(C)N1C=O;UNARJCJBPKSPKC-UHFFFAOYSA-N;143.19;-0.16;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda_SP1";;;;;;;0.04;;-2.73;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM431843;MM431843;CC(C)(C1CC1)N(N)C=O;QHIXERNRISPUPI-UHFFFAOYSA-N;142.2;0.51;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC5_P1";;;;;;;0.81;;-0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM431844;MM431844;N#CCN1CCC(CF)C1;BRTBRUZCLIQQTR-UHFFFAOYSA-N;142.18;0.8;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNa_SNd";;;;;;;0.87;;-1.88;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM431845;MM431845;C=CC1(CC)CC1ON=C;PKLUXAUMKHAVKN-UHFFFAOYSA-N;139.2;1.97;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC3_P1";;;;;;;1.74;;0.29;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM431846;MM431846;COC(C#CCC#N)OC;ZHIUACIKAFOECH-UHFFFAOYSA-N;139.15;0.52;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_N0";;;;;;;0.34;;-1.53;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM431847;MM431847;CC#Cc1cc(CO)co1;ASEIZPWFWXQNKG-UHFFFAOYSA-N;136.15;1.14;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC5_SNda";;;;;;;1.64;;0.05;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM431848;MM431848;CC(CF)C1C(C)N1C=O;PKCPSWBMLOYYHY-UHFFFAOYSA-N;145.18;0.82;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4_SP1";;;;;;;1.37;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM431849;MM431849;CC(C)(C1CO1)N(N)C=O;USHKVOJYFPGUTC-UHFFFAOYSA-N;144.17;-0.5;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP1_P1";;;;;;;-0.79;;-3.13;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM431850;MM431850;C#CCC1CCC(CN)C1;OFEQVVWLXZZAOC-UHFFFAOYSA-N;137.23;1.38;;;;;DOPC;MDCG;27;1;"MARTINI bead: SC5_SC2";;;;;;;3.6;;0.55;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM431851;MM431851;C=NOC1CC1(C#N)CC;CWGUTJFEUJSXJL-UHFFFAOYSA-N;138.17;1.31;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC5_P1";;;;;;;0.81;;-0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM431852;MM431852;C#CCC#CC(CC)CC;OSRSAHBWIRCFPN-UHFFFAOYSA-N;134.22;2.45;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1_N0";;;;;;;3.21;;0.46;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM431853;MM431853;CC#Cc1cc(CF)co1;UTNHABQBKPAMHQ-UHFFFAOYSA-N;138.14;2.12;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC5_SC5";;;;;;;2.41;;0.64;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM431854;MM431854;CCC(N)C1C(C)N1C=N;ZTXMGLKWKGVKSZ-UHFFFAOYSA-N;141.22;0.4;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_SP1";;;;;;;0.04;;-5.21;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM431855;MM431855;C=CC(=C)C(C)(C)C1CC1;RXOJINMGGYVTEF-UHFFFAOYSA-N;136.24;3.16;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC5_C1";;;;;;;3.68;;0.46;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM431856;MM431856;C#CCC1CCC(CF)C1;JBBFPKAERDXBFT-UHFFFAOYSA-N;140.2;2.4;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC3_SC2";;;;;;;4.53;;0.32;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM431857;MM431857;NN=c1ncn(N)o1;OYKALAMOBLMJLB-UHFFFAOYSA-N;115.1;-2.04;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP1_SP3";;;;;;;-1.93;;-4.72;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM431858;MM431858;CC#Cc1cc(NC)co1;XYQMCUPZIHTFNA-UHFFFAOYSA-N;135.17;1.69;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNd_SC5";;;;;;;1.64;;0.02;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM431859;MM431859;C#CCC#CC(CC)CN;IDCRDWJVWJPXJO-UHFFFAOYSA-N;135.21;1;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_N0";;;;;;;1.17;;-3.48;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM431860;MM431860;CC1C(C(N)CF)N1C=N;OPIDIKKKVYLOPW-UHFFFAOYSA-N;145.18;-0.04;;;;;DOPC;MDCG;27;1;"MARTINI bead: P2_SP1";;;;;;;-1.06;;-6.32;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM431861;MM431861;C=C(C#N)C(C)(C)C1CC1;BYUDREYNBSIOSZ-UHFFFAOYSA-N;135.21;2.5;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC5_C4";;;;;;;2.97;;0.45;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM431862;MM431862;C#CCC1CCC(NC)C1;MCZXAQBTBMPWLC-UHFFFAOYSA-N;137.23;1.4;;;;;DOPC;MDCG;27;1;"MARTINI bead: SNd_SC2";;;;;;;2.83;;-1.16;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM431863;MM431863;CC#Cc1cc(OC)co1;JBKWAYYPMJNOSI-UHFFFAOYSA-N;136.15;1.66;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNa_SC5";;;;;;;1.64;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM431864;MM431864;C=CC1(CF)CC1ON=C;KLFQRVCRKOWOCZ-UHFFFAOYSA-N;143.16;1.53;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC5_P1";;;;;;;0.81;;-0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM431865;MM431865;C#CCCNN=COC;SHJAUFCCFHBCCT-UHFFFAOYSA-N;126.16;0.19;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_Nd";;;;;;;0.04;;-2.63;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM431866;MM431866;CCC(N)C1C(C)N1C=O;QPSPTEOPIJYHLG-UHFFFAOYSA-N;142.2;-0.05;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_SP1";;;;;;;0.04;;-4.65;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM431867;MM431867;C#CCC1CNC(CC)C1;SZHRKJSMZMJVGT-UHFFFAOYSA-N;137.23;1.4;;;;;DOPC;MDCG;27;1;"MARTINI bead: SNd_SN0";;;;;;;1.17;;-5.2;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM431868;MM431868;C=CC(=C)C(C)(C)C1CO1;QEBFXKCQHXCTRY-UHFFFAOYSA-N;138.21;2.15;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP1_C1";;;;;;;2.08;;0.48;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM431869;MM431869;CNC1(C#N)CC1OC=O;DMLLKTHFPWBLEH-UHFFFAOYSA-N;140.14;-0.59;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP1_P1";;;;;;;-0.79;;-3.13;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM431870;MM431870;CC#Cc1cc(CC)no1;SLXITSWAGMJCIN-UHFFFAOYSA-N;135.17;1.61;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC5_SC5";;;;;;;2.41;;0.64;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM431871;MM431871;C#CCC#CC(CC)CF;WTYIQAPOSZZLTF-UHFFFAOYSA-N;138.19;2.01;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4_N0";;;;;;;2.5;;0.44;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM431872;MM431872;CCC(O)C1C(C)N1C=N;NLNMUKFFIUOLAW-UHFFFAOYSA-N;142.2;0.44;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nda_SP1";;;;;;;0.04;;-5;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM431873;MM431873;C#CCC1CNC(CN)C1;VPBNUUSUAVATAU-UHFFFAOYSA-N;138.21;-0.05;;;;;DOPC;MDCG;27;1;"MARTINI bead: SP1_SN0";;;;;;;0.34;;-5.13;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM431874;MM431874;CCC#CC(C)(O)C1CC1;XFRLLFNIQFUYNY-UHFFFAOYSA-N;138.21;1.56;;;;;DOPC;MDCG;27;0;"MARTINI bead: N0_SC5";;;;;;;1.94;;0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM431875;MM431875;C=NOC1CC1(C#N)NC;UNCCIHGOGCXMRR-UHFFFAOYSA-N;139.16;-0.13;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP1_P1";;;;;;;-0.79;;-3.13;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM431876;MM431876;CC#Cc1cc(CO)no1;ARMLDQADUPNTAA-UHFFFAOYSA-N;137.14;0.54;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC5_SNda";;;;;;;1.64;;0.05;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM431877;MM431877;C#CCC#CC(CC)NC;AYDXGRKQSLUPQU-UHFFFAOYSA-N;135.21;1.01;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_N0";;;;;;;1.17;;-2.96;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM431878;MM431878;CC1C(C(O)CO)N1C=N;WEEZFCVTAZZDFD-UHFFFAOYSA-N;144.17;-0.98;;;;;DOPC;MDCG;27;1;"MARTINI bead: P3_SP1";;;;;;;-1.93;;-6.92;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM431879;MM431879;C#CCC1CNC(CO)C1;NVGRLOIVMOOBFW-UHFFFAOYSA-N;139.2;-0.02;;;;;DOPC;MDCG;27;1;"MARTINI bead: SP1_SN0";;;;;;;0.34;;-4.98;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM431880;MM431880;C=COC1CC1(C#N)OC;OFKGSXKYZQWHPE-UHFFFAOYSA-N;139.15;0.83;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNa_Na";;;;;;;0.87;;-2.22;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM431881;MM431881;CCC#CC(C)(F)C1CC1;VTXUPYVXVJOYIH-UHFFFAOYSA-N;140.2;2.54;;;;;DOPC;MDCG;27;0;"MARTINI bead: C3_SC5";;;;;;;3.34;;0.48;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM431882;MM431882;CC#Cc1cc(CF)no1;RHISJGHCIVIUTH-UHFFFAOYSA-N;139.13;1.52;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC5_SNa";;;;;;;1.64;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM431883;MM431883;C#CCC#CC(CO)NC;RQGKNSVSOOPBNG-UHFFFAOYSA-N;137.18;-0.41;;;;;DOPC;MDCG;27;1;"MARTINI bead: P2_N0";;;;;;;0.06;;-3.38;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM431884;MM431884;CC1C(C(O)CF)N1C=N;GTKKPUVAVQENGO-UHFFFAOYSA-N;146.17;;;;;;DOPC;MDCG;27;1;"MARTINI bead: P2_SP1";;;;;;;-1.06;;-6.04;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM431885;MM431885;C#CCC1CNC(CF)C1;RXAXNSMYDCPFGY-UHFFFAOYSA-N;141.19;0.96;;;;;DOPC;MDCG;27;1;"MARTINI bead: SNda_SN0";;;;;;;1.17;;-3.65;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM431886;MM431886;C=CC#CC(C)(C)C1CC1;UMXYPZJTZBORCX-UHFFFAOYSA-N;134.22;2.61;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1_SC5";;;;;;;3.68;;0.46;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM431887;MM431887;C=CC1(OC)CC1ON=C;WRPZZJWOPWQWBF-UHFFFAOYSA-N;141.17;0.96;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNa_P1";;;;;;;0.04;;-2.54;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM431888;MM431888;CC#Cc1cc(OC)no1;SOSCGGCRNPXTJW-UHFFFAOYSA-N;137.14;1.05;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNa_SC5";;;;;;;1.64;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM431889;MM431889;C#CCC#CC(CC)OC;PJFRDJQIPXTLBF-UHFFFAOYSA-N;136.19;1.44;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_N0";;;;;;;1.17;;-1.18;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM431890;MM431890;CC1C(C(O)CN)N1C=O;WRANNBGSNYQGNY-UHFFFAOYSA-N;144.17;-1.46;;;;;DOPC;MDCG;27;1;"MARTINI bead: P3_SP1";;;;;;;-1.93;;-6.44;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM431891;MM431891;CC(C)(C#CC#N)C1CC1;BHNDIXOMXXNTHH-UHFFFAOYSA-N;133.19;1.95;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_SC5";;;;;;;2.41;;0.64;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM431892;MM431892;C#CCC1COC(CC)C1;OIZGVAAYJMALSF-UHFFFAOYSA-N;138.21;1.82;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC5_SC5";;;;;;;2.41;;0.64;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM431893;MM431893;C=CC1(CC)NC1CC#N;OVWYIGFPIBILPV-UHFFFAOYSA-N;136.2;1.21;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNd_P1";;;;;;;0.04;;-2.63;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM431894;MM431894;CC1=C(C)OC(=NN)C1;WPMUAYITRMGGRM-UHFFFAOYSA-N;126.16;0.97;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC5_SNda";;;;;;;1.64;;0.05;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM431895;MM431895;C#CCC#CC(CN)OC;MWDUHAMBZHLENM-UHFFFAOYSA-N;137.18;-0.01;;;;;DOPC;MDCG;27;1;"MARTINI bead: P2_C5";;;;;;;0.54;;-2.74;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM431896;MM431896;CC1C(C(O)CO)N1C=O;QTKJLSVXECMRBA-UHFFFAOYSA-N;145.16;-1.43;;;;;DOPC;MDCG;27;0;"MARTINI bead: P3_SP1";;;;;;;-1.93;;-4.72;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM431897;MM431897;CC(O)(C#CC#N)C1CC1;KPTQILMWDNRQKN-UHFFFAOYSA-N;135.17;0.67;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_SC5";;;;;;;0.81;;-0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM431898;MM431898;C#CCC1COC(CN)C1;QXBGCLSLSGNQNV-UHFFFAOYSA-N;139.2;0.37;;;;;DOPC;MDCG;27;1;"MARTINI bead: SP1_SC5";;;;;;;0.81;;-2.56;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM431899;MM431899;C=CCC1NC1(C#N)CC;UODGEQDGCOWUJL-UHFFFAOYSA-N;136.2;1.21;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP1_C4";;;;;;;1.37;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM431900;MM431900;C#CCC#CC(CO)OC;CIGSRCDGZHWDNU-UHFFFAOYSA-N;138.17;0.02;;;;;DOPC;MDCG;27;0;"MARTINI bead: P3_C4";;;;;;;0.23;;-1.03;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM431901;MM431901;CC1C(C(O)CF)N1C=O;FUQPIUAUJQDQOO-UHFFFAOYSA-N;147.15;-0.45;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_SP1";;;;;;;-1.06;;-3.82;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM431902;MM431902;CC#Cc1nc(CC)co1;HHIXYXYIQLLIOB-UHFFFAOYSA-N;135.17;1.61;;;;;DOPC;MDCG;27;0;"MARTINI bead: SN0_SC5";;;;;;;1.94;;0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM431903;MM431903;C#CCC1COC(CO)C1;GSJCGHKGHHWCKT-UHFFFAOYSA-N;140.18;0.41;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP1_SC5";;;;;;;0.81;;-0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM431904;MM431904;CC(F)(C#CC#N)C1CC1;SUOLFWDXXFJPPG-UHFFFAOYSA-N;137.16;1.65;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_SC5";;;;;;;2.41;;0.64;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM431905;MM431905;Cc1c(N)c[nH]c1N;PVKPFPAXPWATNQ-UHFFFAOYSA-N;111.15;0.49;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP1_SNd";;;;;;;0.04;;-2.63;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM431906;MM431906;CCC(F)C1C(C)N1C=N;WWVCNHYAIOFQNB-UHFFFAOYSA-N;144.19;1.41;;;;;DOPC;MDCG;27;1;"MARTINI bead: C4_SP1";;;;;;;1.37;;-2.1;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM431907;MM431907;C#CCC#CC(CF)OC;QMHZOZDPXNQOQF-UHFFFAOYSA-N;140.16;1;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_N0";;;;;;;1.17;;-1.18;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM431908;MM431908;CC#Cc1nc(CO)co1;ATCBJHMXYNJPDA-UHFFFAOYSA-N;137.14;0.54;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC5_SP1";;;;;;;0.81;;-0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM431909;MM431909;C#CCC1COC(CF)C1;XWOSGWXKQVOSRR-UHFFFAOYSA-N;142.17;1.38;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNa_SC5";;;;;;;1.64;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM431910;MM431910;C#CC#CC(C)(C)C1CC1;NDEXLGMNMKSQAW-UHFFFAOYSA-N;132.21;2.06;;;;;DOPC;MDCG;27;0;"MARTINI bead: C3_SC5";;;;;;;3.34;;0.48;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM431911;MM431911;CC1C2CCCC12O;OCXSUSFRYMCBDH-UHFFFAOYSA-N;112.17;1.17;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC4_SNda";;;;;;;2.2;;0.49;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM431912;MM431912;C=CC(C#CCCC)CC;CZRPGRJUOBCOHM-UHFFFAOYSA-N;136.24;3;;;;;DOPC;MDCG;27;0;"MARTINI bead: C3_C1";;;;;;;4.61;;0.31;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM431913;MM431913;CC1C(C(F)CN)N1C=N;WSAMCJYPNUJMQV-UHFFFAOYSA-N;145.18;-0.04;;;;;DOPC;MDCG;27;1;"MARTINI bead: P2_SP1";;;;;;;-1.06;;-5.95;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM431914;MM431914;CC#Cc1nc(CF)co1;BTAGCRHMTURHPR-UHFFFAOYSA-N;139.13;1.52;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC5_SNa";;;;;;;1.64;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM431915;MM431915;C#CCC1COC(OC)C1;DRWAWCYYLHTISY-UHFFFAOYSA-N;140.18;1.02;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNa_SC5";;;;;;;1.64;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM431916;MM431916;C#CC#CC(C)(N)C1CC1;URJRKLOZUQAQND-UHFFFAOYSA-N;133.19;0.75;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_SC5";;;;;;;1.64;;-1.68;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM431917;MM431917;CCC1(C#N)NC1CC#N;VHFURXFJRPNTDW-UHFFFAOYSA-N;135.17;0.54;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP1_P1";;;;;;;-0.79;;-3.13;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM431918;MM431918;CCC(F)C1C(C)N1C=O;NXWHMPBIMCUTKK-UHFFFAOYSA-N;145.18;0.96;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4_SP1";;;;;;;1.37;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM431919;MM431919;C=CC(C#CCCO)CC;BXVYCVIVSDCLMU-UHFFFAOYSA-N;138.21;1.58;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1_Nda";;;;;;;2.91;;0.57;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM431920;MM431920;Cc1noc(=N)nc1N;MNZUSXMLYPBDLS-UHFFFAOYSA-N;126.12;-0.56;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP3_SP2";;;;;;;-2.2;;-5.19;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM431921;MM431921;C#CC#CC(C)(O)C1CO1;NFTYESKOOQEDFG-UHFFFAOYSA-N;136.15;-0.23;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda_SP1";;;;;;;0.04;;-2.73;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM431922;MM431922;C#CCC1CC(CC)CN1;IUWZSLZJTLFQFJ-UHFFFAOYSA-N;137.23;1.4;;;;;DOPC;MDCG;27;1;"MARTINI bead: SN0_SNd";;;;;;;1.17;;-4.73;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM431923;MM431923;C=CCC1NC1(C=C)CN;XRARQCQLLGTNFO-UHFFFAOYSA-N;138.21;0.42;;;;;DOPC;MDCG;27;1;"MARTINI bead: SP2_C4";;;;;;;1.09;;-2.27;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM431924;MM431924;CC1C(C(F)CN)N1C=O;JPAAAQIMLNKMJY-UHFFFAOYSA-N;146.17;-0.49;;;;;DOPC;MDCG;27;1;"MARTINI bead: P2_SP1";;;;;;;-1.06;;-4.88;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM431925;MM431925;C=CC(C#CCCF)CC;BDPKHVJYLCNBRC-UHFFFAOYSA-N;140.2;2.56;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1_Na";;;;;;;2.91;;0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM431926;MM431926;CC#Cc1nc(OC)co1;LFEUKWUXIZKGBZ-UHFFFAOYSA-N;137.14;1.05;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNa_SC5";;;;;;;1.64;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM431927;MM431927;CC#CC(C)(C#N)C1CN1;HTQIFDALNVFEHU-UHFFFAOYSA-N;134.18;0.51;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_SP2";;;;;;;0.54;;-1.09;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM431928;MM431928;C#CCC1CC(CN)CN1;MUWHQYMJSFGAFW-UHFFFAOYSA-N;138.21;-0.05;;;;;DOPC;MDCG;27;1;"MARTINI bead: SP2_SNd";;;;;;;-0.24;;-6.51;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM431929;MM431929;N#CCC1NC1(C#N)CO;PMDZGTFICSBHTP-UHFFFAOYSA-N;137.14;-0.87;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP2_P1";;;;;;;-1.06;;-3.82;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM431930;MM431930;CCCC#CC(C=O)CC;NSMGRYHRLVTLND-UHFFFAOYSA-N;138.21;2.02;;;;;DOPC;MDCG;27;0;"MARTINI bead: C3_C5";;;;;;;3.34;;0.48;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM431931;MM431931;CC1C(C(F)CO)N1C=O;DFAUDBFVRFVGDZ-UHFFFAOYSA-N;147.15;-0.45;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_SP1";;;;;;;-1.06;;-3.82;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM431932;MM431932;CC#Cc1nc(CC)no1;AJBIAUOAUQOVRH-UHFFFAOYSA-N;136.15;1;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNa_SNa";;;;;;;0.87;;-2.22;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM431933;MM431933;C#CCC1CC(CO)CN1;TXHCRFYWSWMUFH-UHFFFAOYSA-N;139.2;-0.02;;;;;DOPC;MDCG;27;1;"MARTINI bead: SP1_SNd";;;;;;;0.04;;-5.81;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM431934;MM431934;CN(C)C(C)(CN)C1CC1;KUCMUQUIFBMIGC-UHFFFAOYSA-N;142.25;0.68;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1_SC5";;;;;;;0.81;;-2.95;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM431935;MM431935;C=CCC1OC1(C=C)CC;KKUFFYMHUGRRPD-UHFFFAOYSA-N;138.21;2.3;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNa_C4";;;;;;;2.2;;0.34;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM431936;MM431936;CCCC#CC(C#N)CC;PTSIWKIMBWCJGC-UHFFFAOYSA-N;135.21;2.34;;;;;DOPC;MDCG;27;0;"MARTINI bead: C3_N0";;;;;;;2.87;;0.37;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM431937;MM431937;COC(C)C1C(C)N1C=N;LSYPKLFWEDYLPM-UHFFFAOYSA-N;142.2;0.7;;;;;DOPC;MDCG;27;1;"MARTINI bead: Na_SP1";;;;;;;0.04;;-4.82;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM431938;MM431938;CC#Cc1nc(CO)no1;TUTOZNDODRLSNI-UHFFFAOYSA-N;138.13;-0.07;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNa_SP1";;;;;;;0.04;;-2.54;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM431939;MM431939;C#CCC1CC(CF)CN1;FNXOUHDBIKQMLN-UHFFFAOYSA-N;141.19;0.96;;;;;DOPC;MDCG;27;1;"MARTINI bead: SNa_SNd";;;;;;;0.87;;-5.21;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM431940;MM431940;C=CC(C)(C1CC1)N(C)C;UFSXNJZIMFRXBQ-UHFFFAOYSA-N;139.24;1.9;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_SC5";;;;;;;1.64;;-2.34;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM431941;MM431941;C=CC1(CC)OC1CC=O;NHFMYKMFFXQHCB-UHFFFAOYSA-N;140.18;1.31;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNa_Na";;;;;;;0.87;;-2.22;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM431942;MM431942;CCC(C#N)C#CCCO;GQZXWLRFIIYKKZ-UHFFFAOYSA-N;137.18;0.92;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_P1";;;;;;;0.81;;-0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM431943;MM431943;COC(C)C1C(C)N1C=O;BUDWURWABKFWOD-UHFFFAOYSA-N;143.19;0.25;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_SP1";;;;;;;0.04;;-2.54;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM431944;MM431944;CC#Cc1nc(CF)no1;PDRUCAUYSMCBHC-UHFFFAOYSA-N;140.12;0.91;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNa_SNa";;;;;;;0.87;;-2.22;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM431945;MM431945;C#CCC1CC(NC)CN1;VHQJIIMAIHJWFC-UHFFFAOYSA-N;138.21;-0.04;;;;;DOPC;MDCG;27;1;"MARTINI bead: SP1_SNd";;;;;;;0.04;;-5.43;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM431946;MM431946;C=CC(C)(C1CO1)N(C)C;PNFLEEIRERBFRL-UHFFFAOYSA-N;141.21;0.89;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_SP1";;;;;;;0.04;;-3.78;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM431947;MM431947;C=CC1(CC)OC1CC#N;DRKVAJCEMCCPTF-UHFFFAOYSA-N;137.18;1.63;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNa_P1";;;;;;;0.04;;-2.54;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM431948;MM431948;CCC(C#CCCF)C=O;XUNIZKQQVCOZIF-UHFFFAOYSA-N;142.17;1.57;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_Na";;;;;;;1.64;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM431949;MM431949;C=NN1C(C)C1C(C)CC;ARVYYUPQNDDWCJ-UHFFFAOYSA-N;140.23;1.72;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1_SP1";;;;;;;2.08;;0.48;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM431950;MM431950;CC#Cc1nc(NC)no1;CDICEMMMOWBRSY-UHFFFAOYSA-N;137.14;0.48;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNda_SNa";;;;;;;0.87;;-1.99;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM431951;MM431951;C=CCC1OC1(C#N)CC;NKXAPLYXPWERDO-UHFFFAOYSA-N;137.18;1.63;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNa_C4";;;;;;;2.2;;0.34;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM431952;MM431952;C#CCC1CC(OC)CN1;IMWGPKDKLSTMEU-UHFFFAOYSA-N;139.2;0.39;;;;;DOPC;MDCG;27;1;"MARTINI bead: SP1_SNd";;;;;;;0.04;;-5.41;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM431953;MM431953;CC(C)C(C)C(C)C1CC1;URONFSRZBINMDD-UHFFFAOYSA-N;140.27;3.32;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1_SC3";;;;;;;4.61;;0.31;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM431954;MM431954;C=NN1C(C)C1C(C)CF;YWKJDOUFYLUBLF-UHFFFAOYSA-N;144.19;1.28;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4_SP1";;;;;;;1.37;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM431955;MM431955;CCC(C#N)C#CCCF;PCFCQNBJYFXLKW-UHFFFAOYSA-N;139.17;1.9;;;;;DOPC;MDCG;27;0;"MARTINI bead: N0_Na";;;;;;;1.17;;-1.18;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM431956;MM431956;CC#Cc1nc(OC)no1;LBDLCOZLJSMZES-UHFFFAOYSA-N;138.13;0.45;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNa_SNa";;;;;;;0.87;;-2.22;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM431957;MM431957;C#CCC1CC(CC)CO1;WINVBMSDKKDDRC-UHFFFAOYSA-N;138.21;1.82;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC5_SC5";;;;;;;2.41;;0.64;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM431958;MM431958;CCC1(C#N)OC1CC=O;PPHCCNSZGPJJIP-UHFFFAOYSA-N;139.15;0.65;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNa_Na";;;;;;;0.87;;-2.22;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM431959;MM431959;C=NN1C(C)C1C(N)CC;FTBWMUIVCSFRCU-UHFFFAOYSA-N;141.22;0.41;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_SP1";;;;;;;0.04;;-4.5;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM431960;MM431960;CC(C)C(N)C(C)N1CC1;DEUSQYRLOALUKQ-UHFFFAOYSA-N;142.25;0.67;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_SNd";;;;;;;0.87;;-4.46;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM431961;MM431961;C=CC(C#CCCC)CN;WWNLNAAYQWPKJI-UHFFFAOYSA-N;137.23;1.55;;;;;DOPC;MDCG;27;1;"MARTINI bead: C3_Nd";;;;;;;2.57;;-1.14;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM431962;MM431962;C=CC1=CCC(C#CC)=C1;SEDHRWMFPKIFTL-UHFFFAOYSA-N;130.19;2.45;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC4_SC4";;;;;;;3.53;;0.53;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM431963;MM431963;C#CCC1CC(CN)CO1;HHKGJUYVXZHSFX-UHFFFAOYSA-N;139.2;0.37;;;;;DOPC;MDCG;27;1;"MARTINI bead: SP1_SC5";;;;;;;0.81;;-3.22;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM431964;MM431964;CCC1(C#N)OC1CC#N;GOUKPEBCOZUQBL-UHFFFAOYSA-N;136.15;0.97;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNa_P1";;;;;;;0.04;;-2.54;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM431965;MM431965;C=NNC=NCC=NN;SLZZIMRISQOYNE-UHFFFAOYSA-N;127.15;-0.84;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nd_P2";;;;;;;-0.24;;-3.16;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM431966;MM431966;C=C(C)C(C)C(C)C1CC1;JNMYNSJORSLXIG-UHFFFAOYSA-N;138.25;3.24;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1_SC5";;;;;;;3.68;;0.46;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM431967;MM431967;C=CC(C#CCCF)CN;MPDBTBLQHBAOPR-UHFFFAOYSA-N;141.19;1.11;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_Na";;;;;;;0.87;;-4.29;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM431968;MM431968;CC#CC1=CC(C=O)=CC1;OZKVCKDOAYSPTN-UHFFFAOYSA-N;132.16;1.47;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC4_SNa";;;;;;;2.2;;0.34;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM431969;MM431969;C#CCC1CC(NC)CO1;IZDOVDNUTGNRDA-UHFFFAOYSA-N;139.2;0.39;;;;;DOPC;MDCG;27;1;"MARTINI bead: SP1_SC5";;;;;;;0.81;;-2.79;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM431970;MM431970;C=NN1C(C)C1C(O)CN;YFIIZHUQXHEGFG-UHFFFAOYSA-N;143.19;-1.01;;;;;DOPC;MDCG;27;1;"MARTINI bead: P3_SP1";;;;;;;-1.93;;-6.54;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM431971;MM431971;C=CCC1OC1(C#N)CO;BORTWUHNCAEIPU-UHFFFAOYSA-N;139.15;0.22;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP2_C4";;;;;;;1.09;;-0.38;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM431972;MM431972;C#CCNC=NN=CC;LFIQKSRKLQYOPK-UHFFFAOYSA-N;123.16;0.24;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nd_N0";;;;;;;1.17;;-1.04;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM431973;MM431973;CC(=O)N(C)C(C)C1CC1;NPHZKJGHKJSQKZ-UHFFFAOYSA-N;141.21;1.26;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC5_Nda";;;;;;;1.64;;0.05;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM431974;MM431974;CC#CC1=CC(C#N)=CC1;DAIYDRKWHCHQLN-UHFFFAOYSA-N;129.16;1.79;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC4_SN0";;;;;;;2.5;;0.44;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM431975;MM431975;C=CC(C)(C)N=CNN=C;UJCJHZYVBXPBRQ-UHFFFAOYSA-N;139.2;1.18;;;;;DOPC;MDCG;27;0;"MARTINI bead: C2_P2";;;;;;;1.72;;0.27;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM431976;MM431976;C#CCC1CC(OC)CO1;LFYJRBZXHWUIAV-UHFFFAOYSA-N;140.18;0.81;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNa_SC5";;;;;;;1.64;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM431977;MM431977;N#CC1(CO)OC1CC=O;WTYRLQCKNWICFW-UHFFFAOYSA-N;141.13;-0.77;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP2_Na";;;;;;;-0.24;;-3.24;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM431978;MM431978;C=C(C(C)N)C(C)C1CC1;JXAIJYQZQFIGJG-UHFFFAOYSA-N;139.24;1.94;;;;;DOPC;MDCG;27;1;"MARTINI bead: C4_SC5";;;;;;;2.97;;0.2;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM431979;MM431979;C=Cc1c[nH]c(C#CC)c1;HNEXWQCVKATZDR-UHFFFAOYSA-N;131.18;2.03;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC5_SN0";;;;;;;1.94;;0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM431980;MM431980;C#CC#CC1NC1C=O;UYIVTRLMJNCYPQ-UHFFFAOYSA-N;119.12;-0.84;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP2_N0";;;;;;;0.06;;-2.21;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM431981;MM431981;C=NN(C)C(C)=CC(C)=O;OXGCODBCXLAYMI-UHFFFAOYSA-N;140.19;1.03;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_C5";;;;;;;0.54;;-1.09;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM431982;MM431982;CC#Cc1cc(C#N)c[nH]1;ZTBXEJKONMKZLI-UHFFFAOYSA-N;130.15;1.26;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC5_SN0";;;;;;;1.94;;0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM431983;MM431983;CC(C)C(=O)C(C)N1CC1;NFFNEENOIMDISU-UHFFFAOYSA-N;141.21;0.92;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_SNd";;;;;;;0.87;;-1.88;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM431984;MM431984;C#CCC1CCC(CN)N1;GYOZGYVRWRCGQX-UHFFFAOYSA-N;138.21;0.09;;;;;DOPC;MDCG;27;1;"MARTINI bead: SP1_SN0";;;;;;;0.34;;-4.77;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM431985;MM431985;C=CCN1CC1(C=C)CC;FNZHDDVWCSNHOM-UHFFFAOYSA-N;137.23;1.82;;;;;DOPC;MDCG;27;0;"MARTINI bead: SN0_P1";;;;;;;0.34;;-1.53;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM431986;MM431986;CCCC#CC(C=O)CO;KRYIRHCZVONXMP-UHFFFAOYSA-N;140.18;0.6;;;;;DOPC;MDCG;27;0;"MARTINI bead: C3_P2";;;;;;;1.46;;-0.15;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM431987;MM431987;C=Cc1coc(C#CC)c1;VECUDWQQQMCRJQ-UHFFFAOYSA-N;132.16;2.29;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC5_SC5";;;;;;;2.41;;0.64;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM431988;MM431988;C#CCC1CCC(CF)N1;CDMQWKUAFKPZJR-UHFFFAOYSA-N;141.19;1.1;;;;;DOPC;MDCG;27;1;"MARTINI bead: SNa_SNd";;;;;;;0.87;;-4.01;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM431989;MM431989;C=NN1C(C)C1C(F)CC;CBUZZNUEPNPQJF-UHFFFAOYSA-N;144.19;1.42;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4_SP1";;;;;;;1.37;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM431990;MM431990;C=C(C)C(=C)C(C)C1CC1;ZCLJOLHGDZRPHJ-UHFFFAOYSA-N;136.24;3.16;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC5_C1";;;;;;;3.68;;0.46;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM431991;MM431991;N#CC(C#CCCO)CO;XYWMGYSHGVGRLT-UHFFFAOYSA-N;139.15;-0.5;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_P1";;;;;;;-0.79;;-3.13;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM431992;MM431992;N#CCC1CC=NN1;CAOWLEQJMWWRPS-UHFFFAOYSA-N;109.13;0.25;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP1_SP1";;;;;;;-0.79;;-3.13;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM431993;MM431993;CC#Cc1cc(C=O)co1;MODQIHCMRHVFHZ-UHFFFAOYSA-N;134.13;1.46;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC5_SNa";;;;;;;1.64;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM431994;MM431994;C#CCC1CCC(CN)O1;KQILKRJXWOBGEV-UHFFFAOYSA-N;139.2;0.52;;;;;DOPC;MDCG;27;1;"MARTINI bead: SP1_SC5";;;;;;;0.81;;-2.56;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM431995;MM431995;C=C(C(C)=O)C(C)C1CC1;BCHLSHPCMLRCLG-UHFFFAOYSA-N;138.21;2.18;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC5_C5";;;;;;;2.41;;0.64;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM431996;MM431996;C=NN1C(C)C1C(F)CN;ZPMNXLSXCHGQHB-UHFFFAOYSA-N;145.18;-0.03;;;;;DOPC;MDCG;27;1;"MARTINI bead: P2_SP1";;;;;;;-1.06;;-4.98;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM431997;MM431997;C=CC(C#CCCC)CF;QZTMFRHDMNONDN-UHFFFAOYSA-N;140.2;2.56;;;;;DOPC;MDCG;27;0;"MARTINI bead: C3_C5";;;;;;;3.34;;0.48;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM431998;MM431998;N#CCCNCC=O;ACUUIOWSHYMENF-UHFFFAOYSA-N;112.13;-0.31;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_P1";;;;;;;-1.06;;-3.82;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM431999;MM431999;CC#Cc1cc(C#N)co1;BYGQOLROZFFVEC-UHFFFAOYSA-N;131.13;1.52;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC5_SN0";;;;;;;1.94;;0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM432000;MM432000;C#CCC1CCC(CO)O1;ITKGMWLBKMDAQN-UHFFFAOYSA-N;140.18;0.55;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP1_SC5";;;;;;;0.81;;-0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM432001;MM432001;C=C(C)C(=O)C(C)C1CC1;BAELQDGLBIHILX-UHFFFAOYSA-N;138.21;2.18;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC5_C5";;;;;;;2.41;;0.64;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM432002;MM432002;C=NN1C(C)C1C(C)OC;IGYLVSDSGRQBCR-UHFFFAOYSA-N;142.2;0.71;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_SP1";;;;;;;0.04;;-2.54;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM432003;MM432003;C#CC(C)CC(C)(C)O;MUDKSMKDGAEZPS-UHFFFAOYSA-N;126.2;1.42;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda_C5";;;;;;;1.64;;0.05;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM432004;MM432004;C=CC(C#CCCO)CF;IHLLZHSRFWNUBB-UHFFFAOYSA-N;142.17;1.14;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda_C5";;;;;;;1.64;;0.05;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM432005;MM432005;C=Cc1cc(C#CC)on1;FLOSYMPIQVSTHK-UHFFFAOYSA-N;133.15;1.69;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC5_SNa";;;;;;;1.64;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM432006;MM432006;C#CCC1CCC(CF)O1;DTRWTYCAUASVHC-UHFFFAOYSA-N;142.17;1.53;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNa_SC5";;;;;;;1.64;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM432007;MM432007;CC(C)N(N)C(=N)C1CC1;AQNWWKHZZPHOFJ-UHFFFAOYSA-N;141.22;0.96;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1_SC5";;;;;;;0.81;;-3.61;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM432008;MM432008;C=CC1C(C)N1C(C)CF;QHJMHTAPRBEZQV-UHFFFAOYSA-N;143.21;1.6;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_SP1";;;;;;;-0.79;;-3.13;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM432009;MM432009;C=CC(C#CCCF)CF;ROCDNGKTHWHGMA-UHFFFAOYSA-N;144.16;2.12;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_C5";;;;;;;1.64;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM432010;MM432010;C=CC1(CC)CN1NC=N;UOFHOGPJMNEIHV-UHFFFAOYSA-N;139.2;0.75;;;;;DOPC;MDCG;27;1;"MARTINI bead: SN0_P4";;;;;;;-0.88;;-6.38;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM432011;MM432011;C#CCC1CCC(OC)O1;WKUBEDFJVUCYRS-UHFFFAOYSA-N;140.18;1.16;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNa_SC5";;;;;;;1.64;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM432012;MM432012;CC#Cc1cc(C=O)no1;VUEPVNCQAKIKAL-UHFFFAOYSA-N;135.12;0.86;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC5_SNa";;;;;;;1.64;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM432013;MM432013;CN(C)N(C)C(=O)C1CC1;LRFCERWIQQQICN-UHFFFAOYSA-N;142.2;0.33;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_SC5";;;;;;;0.54;;-1.09;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM432014;MM432014;C=CC1C(C)C1C(C)C=O;NSIOYTCCZBFRCU-UHFFFAOYSA-N;138.21;1.89;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_SC4";;;;;;;2.2;;0.34;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM432015;MM432015;CCCC#CC(C#N)CF;WLNSTSWCHATMRK-UHFFFAOYSA-N;139.17;1.9;;;;;DOPC;MDCG;27;0;"MARTINI bead: C3_Na";;;;;;;2.57;;0.45;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM432016;MM432016;C=CC1(CC)CN1NC=O;UKIRYRQMTCCTKU-UHFFFAOYSA-N;140.19;0.3;;;;;DOPC;MDCG;27;0;"MARTINI bead: SN0_P4";;;;;;;-0.88;;-3.74;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM432017;MM432017;C#CCC1OCC(CC)O1;VIGDPSSEYOEIKR-UHFFFAOYSA-N;140.18;1.16;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNa_SNa";;;;;;;0.87;;-2.22;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM432018;MM432018;CC#Cc1cc(C#N)no1;JJCXOYHOVYQLNM-UHFFFAOYSA-N;132.12;0.92;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC5_SNa";;;;;;;1.64;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM432019;MM432019;C=CC1C(C)C1C(C)C#N;MABFVOPJQQRHMS-UHFFFAOYSA-N;135.21;2.21;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_SC4";;;;;;;1.37;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM432020;MM432020;CC(C)N(N)C(=O)N1CC1;ONHJGSRKBLBMMD-UHFFFAOYSA-N;143.19;0.01;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_SP2";;;;;;;-1.06;;-3.82;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM432021;MM432021;N#CC(C#CCCO)CF;SUFWNFSKNCMEDR-UHFFFAOYSA-N;141.15;0.48;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_Na";;;;;;;0.04;;-2.54;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM432022;MM432022;CCC1(C#N)CN1NC=N;YRHPZCLHQIWXJG-UHFFFAOYSA-N;138.17;0.09;;;;;DOPC;MDCG;27;1;"MARTINI bead: SP1_P4";;;;;;;-2.01;;-7.73;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM432023;MM432023;C#CCC1OCC(CN)O1;AYCYBYMYHXAHMO-UHFFFAOYSA-N;141.17;-0.29;;;;;DOPC;MDCG;27;1;"MARTINI bead: SP2_SNa";;;;;;;-0.24;;-5.24;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM432024;MM432024;C=Cc1coc(C#CC)n1;PLOFJNBMFLMVHM-UHFFFAOYSA-N;133.15;1.69;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC5_SNa";;;;;;;1.64;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM432025;MM432025;N#CC(C#CCCF)CF;FMEZLEZGVIOXTG-UHFFFAOYSA-N;143.14;1.46;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_Na";;;;;;;0.87;;-2.22;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM432026;MM432026;CC(C#N)C1C(C)C1C#N;YVLRHQNVVOFVGF-UHFFFAOYSA-N;134.18;1.55;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_SN0";;;;;;;0.34;;-1.53;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM432027;MM432027;CC(C)N(O)C(=O)N1CC1;RZGXJDDHOXCPHH-UHFFFAOYSA-N;144.17;0.52;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_SP2";;;;;;;-1.06;;-3.82;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM432028;MM432028;CCC1(C#N)CN1NC=O;IIFQQLGKGWTYHW-UHFFFAOYSA-N;139.16;-0.36;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP1_P4";;;;;;;-2.01;;-5.13;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM432029;MM432029;CC#Cc1nc(C=O)co1;KMUJRUOFIMGWCR-UHFFFAOYSA-N;135.12;0.86;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC5_SP1";;;;;;;0.81;;-0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM432030;MM432030;C#CCC1CCN(CC)C1;CDSLWUQMVDNCIV-UHFFFAOYSA-N;137.23;1.35;;;;;DOPC;MDCG;27;1;"MARTINI bead: SNd_SN0";;;;;;;1.17;;-3.92;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM432031;MM432031;C=CC(N)C1C(N)C1C=C;BGIFRIXPCAZJHW-UHFFFAOYSA-N;138.21;0.26;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1_SNd";;;;;;;0.04;;-5.14;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM432032;MM432032;C=CC(C#CCNC)CC;XPPSPNVXJVZDSA-UHFFFAOYSA-N;137.23;1.42;;;;;DOPC;MDCG;27;1;"MARTINI bead: C1_P2";;;;;;;1.8;;-0.63;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM432033;MM432033;CC(=N)N(C)C(=O)C1CC1;MJHCYIQAZXTLFS-UHFFFAOYSA-N;140.19;0.85;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_SC5";;;;;;;0.54;;-1.09;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM432034;MM432034;C=CC1(CN)CN1NC=N;MKXHLQJHIVNQHP-UHFFFAOYSA-N;140.19;-0.7;;;;;DOPC;MDCG;27;1;"MARTINI bead: SP2_P4";;;;;;;-2.29;;-8.57;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM432035;MM432035;C#CCN1CCC(CC)C1;KVGRYXUTPGZMGP-UHFFFAOYSA-N;137.23;1.35;;;;;DOPC;MDCG;27;1;"MARTINI bead: SN0_SNd";;;;;;;1.17;;-2.97;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM432036;MM432036;CC#Cc1nc(C#N)co1;IULNEMPZGIKTQB-UHFFFAOYSA-N;132.12;0.92;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC5_SNa";;;;;;;1.64;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM432037;MM432037;CCC(C#CCNC)C=O;NKOKMHGPTWIGEG-UHFFFAOYSA-N;139.2;0.43;;;;;DOPC;MDCG;27;1;"MARTINI bead: C5_P2";;;;;;;0.54;;-2.69;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM432038;MM432038;CC1C(C=O)C1N(C)C=N;XQEIAHJZAHLCFP-UHFFFAOYSA-N;140.19;0.36;;;;;DOPC;MDCG;27;1;"MARTINI bead: SNa_P2";;;;;;;-0.24;;-7.15;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM432039;MM432039;CC(=O)N(C)C(=N)C1CN1;CJHXIBPPVSQVBW-UHFFFAOYSA-N;141.17;-0.59;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_SP2";;;;;;;-1.34;;-4.31;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM432040;MM432040;C=CC1(CO)CN1NC=O;GICVNQCOIINGBP-UHFFFAOYSA-N;142.16;-1.12;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP2_P4";;;;;;;-2.29;;-5.95;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM432041;MM432041;CCC(C#N)C#CCNC;VKVQBRXBIKVZRM-UHFFFAOYSA-N;136.2;0.76;;;;;DOPC;MDCG;27;1;"MARTINI bead: C5_P1";;;;;;;0.81;;-2.18;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM432042;MM432042;C#CCN1CCC(CN)C1;YUZOGVDFPXCFMU-UHFFFAOYSA-N;138.21;-0.1;;;;;DOPC;MDCG;27;1;"MARTINI bead: SP2_SNd";;;;;;;-0.24;;-5.67;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM432043;MM432043;C=Cc1noc(C#CC)n1;BQICOVYQJCNAKN-UHFFFAOYSA-N;134.14;1.08;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNa_SNa";;;;;;;0.87;;-2.22;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM432044;MM432044;CC1(C)C2CC(=O)C(=N)N21;DHPCBWFLCWPKAH-UHFFFAOYSA-N;138.17;0.4;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP2_SNd";;;;;;;-0.24;;-3.16;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM432045;MM432045;C=C(C1CO1)N(N)C(C)=N;NLWKOCUDQLASOV-UHFFFAOYSA-N;141.17;0.07;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1_SP1";;;;;;;-0.79;;-6.04;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM432046;MM432046;N#CC1(CO)CN1NC=O;ICSZBRBERIDFMI-UHFFFAOYSA-N;141.13;-1.78;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP2_P4";;;;;;;-2.29;;-5.95;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM432047;MM432047;C=CC(C#CCNC)CN;VIBZSWJVUDIXJP-UHFFFAOYSA-N;138.21;-0.03;;;;;DOPC;MDCG;27;1;"MARTINI bead: P2_Nd";;;;;;;-0.24;;-5.62;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM432048;MM432048;CC#Cc1nc(C=O)no1;YLXAKGRGQPLLFC-UHFFFAOYSA-N;136.11;0.25;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNa_SP1";;;;;;;0.04;;-2.54;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM432049;MM432049;C#CCN1CCC(CO)C1;DJOALSXAEVARSW-UHFFFAOYSA-N;139.2;-0.07;;;;;DOPC;MDCG;27;1;"MARTINI bead: SP1_SNd";;;;;;;0.04;;-3.91;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM432050;MM432050;CC=NNC(=N)C#CCF;OWXBDPCXMDXQCY-UHFFFAOYSA-N;141.15;0.53;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nd_Nda";;;;;;;0.87;;-1.92;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM432051;MM432051;CC(=O)N(C)C(=O)C1CO1;WTTZMTXCHYKZNW-UHFFFAOYSA-N;143.14;-0.61;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_SP1";;;;;;;-0.79;;-3.13;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM432052;MM432052;C#CCC1CC1(C=C)NC;UEMAJYGUNQSBBQ-UHFFFAOYSA-N;135.21;1.17;;;;;DOPC;MDCG;27;1;"MARTINI bead: SNd_N0";;;;;;;1.17;;-3.23;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM432053;MM432053;C=CC(C#CCNC)CF;UFOFPNQVSLBWEW-UHFFFAOYSA-N;141.19;0.98;;;;;DOPC;MDCG;27;1;"MARTINI bead: P2_C5";;;;;;;0.54;;-2.79;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM432054;MM432054;CC#Cc1nc(C#N)no1;MNQSANCKHFUJFO-UHFFFAOYSA-N;133.11;0.31;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNa_SNa";;;;;;;0.87;;-2.22;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM432055;MM432055;C=CC#CC(=N)NN=CC;POOKGBFBIDRXCF-UHFFFAOYSA-N;135.17;0.75;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nd_Nd";;;;;;;0.87;;-2.11;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM432056;MM432056;C#CCN1CCC(CF)C1;VPSZONCQWDGNLC-UHFFFAOYSA-N;141.19;0.91;;;;;DOPC;MDCG;27;1;"MARTINI bead: SNa_SNd";;;;;;;0.87;;-3.19;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM432057;MM432057;C=C(C)C(N)C(=N)N1CC1;QTGYAZDRBRFDMW-UHFFFAOYSA-N;139.2;0.18;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_SP2";;;;;;;-0.24;;-5.61;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM432058;MM432058;C#CCC1CC1(C#N)NC;LJVQFERREAZNTB-UHFFFAOYSA-N;134.18;0.51;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP1_N0";;;;;;;0.34;;-1.53;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM432059;MM432059;C=CC(C#CCOC)CC;MCYWOYXSNHTWJM-UHFFFAOYSA-N;138.21;1.85;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1_Na";;;;;;;2.91;;0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM432060;MM432060;C=CC1C(C(O)C#N)N1C;DVWDWPXHIOYIRQ-UHFFFAOYSA-N;138.17;-0.26;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNd_P3";;;;;;;-1.1;;-3.93;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM432061;MM432061;C#CC1=CCC(C#CC)=C1;RLBGFHQGHKGEHF-UHFFFAOYSA-N;128.17;1.9;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC4_SC5";;;;;;;2.97;;0.45;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM432062;MM432062;C#CCN1CCC(NC)C1;DPDNHASDCOMXAU-UHFFFAOYSA-N;138.21;-0.09;;;;;DOPC;MDCG;27;1;"MARTINI bead: SP1_SNd";;;;;;;0.04;;-5.23;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM432063;MM432063;CC(=O)N(N)C(=N)N1CC1;SBKQMRZZJHDUGT-UHFFFAOYSA-N;142.16;-1.04;;;;;DOPC;MDCG;27;1;"MARTINI bead: P5_SP2";;;;;;;-2.22;;-7.85;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM432064;MM432064;C#CCC1NC1(C#N)CC;CTKNEBHANRDUKA-UHFFFAOYSA-N;134.18;0.65;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP1_N0";;;;;;;0.34;;-1.53;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM432065;MM432065;CCC(C#CCOC)C=O;CZYCHDKEPRHZCX-UHFFFAOYSA-N;140.18;0.86;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_Na";;;;;;;1.64;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM432066;MM432066;C=CC1CCC(CCC)C1;YNZPUMFTMKMTHY-UHFFFAOYSA-N;138.25;3.39;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC1_SC2";;;;;;;4.87;;0.53;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM432067;MM432067;C#Cc1c[nH]c(C#CC)c1;NEVSMHMLAIQYTD-UHFFFAOYSA-N;129.16;1.37;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC5_SN0";;;;;;;1.94;;0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM432068;MM432068;C=NNC=NCC(C)=NN;ZSRABPFZZIXXQE-UHFFFAOYSA-N;141.18;-0.45;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nd_P2";;;;;;;-0.24;;-3.16;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM432069;MM432069;CC(=N)N(N)C(=O)N1CC1;YLLYLXDPDDICAY-UHFFFAOYSA-N;142.16;-0.41;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_SP2";;;;;;;-1.34;;-4.31;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM432070;MM432070;C#CCC1OC1(C#N)CC;PWBSMPCHOYBLFQ-UHFFFAOYSA-N;135.17;1.08;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNa_N0";;;;;;;1.17;;-1.18;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM432071;MM432071;CCC(C#N)C#CCOC;JWXZWYIIFQVNPJ-UHFFFAOYSA-N;137.18;1.19;;;;;DOPC;MDCG;27;0;"MARTINI bead: N0_Na";;;;;;;1.17;;-1.18;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM432072;MM432072;C=CC1CCC(CCN)C1;KHJLZWHMNUFONA-UHFFFAOYSA-N;139.24;1.94;;;;;DOPC;MDCG;27;1;"MARTINI bead: SC5_SC2";;;;;;;3.6;;0.55;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM432073;MM432073;C#Cc1coc(C#CC)c1;DKJCTMONDWSTHK-UHFFFAOYSA-N;130.15;1.63;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC5_SN0";;;;;;;1.94;;0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM432074;MM432074;CN=NC=CNN(C)C=O;UOFODGKECVAWAO-UHFFFAOYSA-N;142.16;0.13;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_P3";;;;;;;-0.33;;-2.01;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM432075;MM432075;C=C(C)N(O)C(=O)N1CC1;ZRJBLINCRURBBF-UHFFFAOYSA-N;142.16;0.65;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_SP2";;;;;;;-1.06;;-3.82;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM432076;MM432076;C#CCN1CC1(C=C)CC;LGIDRYLWBYZNIF-UHFFFAOYSA-N;135.21;1.27;;;;;DOPC;MDCG;27;0;"MARTINI bead: SN0_P2";;;;;;;0.06;;-2.21;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM432077;MM432077;C=CC(C#CCOC)CO;IWAARALQFWXYAZ-UHFFFAOYSA-N;140.18;0.43;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_Nda";;;;;;;0.87;;-1.99;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM432078;MM432078;C=CC1C(C(F)C#N)N1C;MROBBJFUJPXOHN-UHFFFAOYSA-N;140.16;0.72;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNd_Na";;;;;;;0.87;;-1.88;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM432079;MM432079;CCCC1CCC(C=O)C1;OISQRABODZAJNV-UHFFFAOYSA-N;140.23;2.4;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC1_SNa";;;;;;;2.91;;0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM432080;MM432080;C#Cc1cc(C#CC)on1;SIXKDIFHYYKBMS-UHFFFAOYSA-N;131.13;1.03;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC5_SNa";;;;;;;1.64;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM432081;MM432081;CC(=N)N(O)C(=O)N1CC1;XFMOZLXHUQXEDX-UHFFFAOYSA-N;143.15;0.11;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_SP2";;;;;;;-1.34;;-4.31;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM432082;MM432082;C#CCN1CC1(C#N)CC;BENZVMVYFGMWSS-UHFFFAOYSA-N;134.18;0.61;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP1_P2";;;;;;;-1.06;;-3.82;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM432083;MM432083;COCC#CC(C=O)CO;MTDZNORRZVCOBX-UHFFFAOYSA-N;142.15;-0.56;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_P2";;;;;;;-0.24;;-3.24;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM432084;MM432084;C=CC(C)C1C(C)N1C=N;RFUKRBVHWQXJMJ-UHFFFAOYSA-N;138.21;1.49;;;;;DOPC;MDCG;27;1;"MARTINI bead: C3_SP1";;;;;;;1.74;;-2.14;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM432085;MM432085;CCCC1CCC(C#N)C1;DCCUYIVBBDHRDH-UHFFFAOYSA-N;137.23;2.73;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC1_SC5";;;;;;;3.68;;0.46;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM432086;MM432086;C#Cc1coc(C#CC)n1;GWOQLOZGSPRPGU-UHFFFAOYSA-N;131.13;1.03;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC5_SNa";;;;;;;1.64;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM432087;MM432087;C#CC(C)=NN=CC=NN;GLQRMYWAFSZZLB-UHFFFAOYSA-N;136.16;0.01;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_P1";;;;;;;0.81;;-0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM432088;MM432088;C#CCN1CC1(C=C)CN;XQHRNDDYVGORCP-UHFFFAOYSA-N;136.2;-0.18;;;;;DOPC;MDCG;27;1;"MARTINI bead: SP2_P2";;;;;;;-1.34;;-6.24;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM432089;MM432089;C=CC(C#CCOC)CF;VTMXDNBSRSNRLV-UHFFFAOYSA-N;142.17;1.41;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_C5";;;;;;;1.64;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM432090;MM432090;C=CC1CCC(NCC)C1;GUGQIQIAHMNXBP-UHFFFAOYSA-N;139.24;1.95;;;;;DOPC;MDCG;27;1;"MARTINI bead: SC5_SC2";;;;;;;3.6;;0.34;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM432091;MM432091;CC(C=O)C1C(C)N1C=N;CHYHAJFNZRAHBH-UHFFFAOYSA-N;140.19;0.5;;;;;DOPC;MDCG;27;1;"MARTINI bead: Na_SP1";;;;;;;0.04;;-5.27;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM432092;MM432092;C#Cc1noc(C#CC)n1;AIIPXBAASKHNMV-UHFFFAOYSA-N;132.12;0.42;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNa_SP1";;;;;;;0.04;;-2.54;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM432093;MM432093;C=C(C(=N)N1CC1)C(C)C;ZHBOAHBGSUYWEB-UHFFFAOYSA-N;138.21;1.49;;;;;DOPC;MDCG;27;1;"MARTINI bead: C2_SP2";;;;;;;1.72;;-3.17;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM432094;MM432094;C#CC1(CC)CC1CCC;MQRIHSTWAVTFTE-UHFFFAOYSA-N;136.24;2.84;;;;;DOPC;MDCG;27;0;"MARTINI bead: C3_SC4";;;;;;;3.9;;0.47;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM432095;MM432095;COCC#CC(C#N)CF;TWQJLRLNBBRGEH-UHFFFAOYSA-N;141.15;0.75;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_Na";;;;;;;0.87;;-2.22;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM432096;MM432096;C=CC1CC(CCN)CN1;SIEPKJOQCVKYBT-UHFFFAOYSA-N;140.23;0.5;;;;;DOPC;MDCG;27;1;"MARTINI bead: SP1_SNd";;;;;;;0.04;;-6.11;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM432097;MM432097;CC(C#N)C1C(C)N1C=N;HRRJSROQSHZGCV-UHFFFAOYSA-N;137.19;0.83;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1_SP1";;;;;;;-0.79;;-5.71;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM432098;MM432098;C=C(C(=N)N1CC1)C(C)N;DVQNFTZCMSVCNP-UHFFFAOYSA-N;139.2;0.18;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_SP2";;;;;;;-0.24;;-6.85;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM432099;MM432099;C=C(C#CCC1CC1)CC;AGGQQABOUYWOLY-UHFFFAOYSA-N;134.22;2.76;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1_SC3";;;;;;;4.61;;0.31;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM432100;MM432100;C#CC1(CC)CC1CCN;GSSWEZQCTHCEMF-UHFFFAOYSA-N;137.23;1.38;;;;;DOPC;MDCG;27;1;"MARTINI bead: SC4_P1";;;;;;;1.37;;-2.72;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM432101;MM432101;C=CC1CC(NCC)CN1;USIWGFSMCVASPM-UHFFFAOYSA-N;140.23;0.51;;;;;DOPC;MDCG;27;1;"MARTINI bead: SP1_SNd";;;;;;;0.04;;-5.28;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM432102;MM432102;C=CC(C)C1C(C)N1C=O;SBXRNEXINFXSBI-UHFFFAOYSA-N;139.2;1.04;;;;;DOPC;MDCG;27;0;"MARTINI bead: C3_SP1";;;;;;;1.74;;0.29;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM432103;MM432103;C=CC(C#CCCC)NC;DTVKDPIASONVLR-UHFFFAOYSA-N;137.23;1.56;;;;;DOPC;MDCG;27;1;"MARTINI bead: C3_Nd";;;;;;;2.57;;0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM432104;MM432104;C=C(C(=N)N1CC1)C(C)O;XEQANUKEJQNULE-UHFFFAOYSA-N;140.19;0.22;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nda_SP2";;;;;;;-0.24;;-6.78;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM432105;MM432105;N#CC(=O)C#CCN1CC1;XEHHZMZLNWYLLI-UHFFFAOYSA-N;134.14;-0.6;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_SP1";;;;;;;0.04;;-2.54;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM432106;MM432106;CCC(=N)N=C(N)C=O;YMBSYZWKBKFJPC-UHFFFAOYSA-N;127.15;-0.07;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_P3";;;;;;;-0.33;;-2.01;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM432107;MM432107;C#CC#CC(C#C)NN=C;NRYQOVGVOYEMIW-UHFFFAOYSA-N;130.15;-0.17;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_C4";;;;;;;1.37;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM432108;MM432108;C=CC(C#CCCF)NC;VGOMXSVTFFMMIH-UHFFFAOYSA-N;141.19;1.12;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_Na";;;;;;;0.87;;-2.99;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM432109;MM432109;C=CC1COC(CCC)C1;KMDJIHHMKHIPPM-UHFFFAOYSA-N;140.23;2.38;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC5_SN0";;;;;;;1.94;;0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM432110;MM432110;C#CC(=O)C#CCC1CO1;XZTZTDOFCCVYET-UHFFFAOYSA-N;134.13;-0.02;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_SNa";;;;;;;0.87;;-2.22;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM432111;MM432111;C=C(C(=C)C1CC1)C(C)=O;PWYPDFSKKYLCEB-UHFFFAOYSA-N;136.19;2.1;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_SC5";;;;;;;2.41;;0.64;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM432112;MM432112;C#CC1(CC)CC1CCF;TUWWLZYEJXMZTL-UHFFFAOYSA-N;140.2;2.4;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC4_C5";;;;;;;2.97;;0.45;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM432113;MM432113;C=CC(N)C1C(C)N1C=N;KQFRGZGWLDTHIR-UHFFFAOYSA-N;139.2;0.18;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1_SP1";;;;;;;-0.79;;-5.62;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM432114;MM432114;C=C(CC)CCC(C)(C)O;MSNFPEVFEVGXSH-UHFFFAOYSA-N;142.24;2.5;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1_Nda";;;;;;;2.91;;0.57;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM432115;MM432115;C=CC1CCC(CCC)N1;XXLDQAQKDVBBOD-UHFFFAOYSA-N;139.24;2.09;;;;;DOPC;MDCG;27;1;"MARTINI bead: SC5_SNd";;;;;;;1.64;;-3.4;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM432116;MM432116;CC12CC(=NN)OC1C2;SGQJQWGXHWTGRP-UHFFFAOYSA-N;126.16;0.46;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC5_SNda";;;;;;;1.64;;0.05;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM432117;MM432117;C=C(F)C(=C)C(=C)C1CC1;BGCZYWMEIDBASK-UHFFFAOYSA-N;138.19;2.99;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4_SC4";;;;;;;3.53;;0.53;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM432118;MM432118;C#CC1(CN)CC1CCC;GWLJNYVXPKCLNI-UHFFFAOYSA-N;137.23;1.38;;;;;DOPC;MDCG;27;1;"MARTINI bead: C3_SNd";;;;;;;2.57;;-1.21;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM432119;MM432119;C=CC(N)C1C(C)N1C=O;PKIWXCJTEQVMLG-UHFFFAOYSA-N;140.19;-0.27;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1_SP1";;;;;;;-0.79;;-4.57;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM432120;MM432120;C=CC(C#CCNC)NC;ZGCLINRMLOMHTQ-UHFFFAOYSA-N;138.21;-0.02;;;;;DOPC;MDCG;27;1;"MARTINI bead: P2_Nd";;;;;;;-0.24;;-4.92;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM432121;MM432121;C=C(C(=N)N1CC1)C(C)=O;VWYVIMCMSMQEAL-UHFFFAOYSA-N;138.17;0.42;;;;;DOPC;MDCG;27;1;"MARTINI bead: Na_SP2";;;;;;;-0.24;;-4.73;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM432122;MM432122;CCCC1COC(C=O)O1;BFNSIVOHXQEDNT-UHFFFAOYSA-N;144.17;0.73;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNa_SP2";;;;;;;-0.24;;-3.24;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM432123;MM432123;C#CC(C)OC=NN1CC1;WHANIUCKJCBGAU-UHFFFAOYSA-N;138.17;0.28;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_SP3";;;;;;;-1.1;;-4.2;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM432124;MM432124;C#CC1(CN)CC1CCN;UXLCZGYUOOTJQU-UHFFFAOYSA-N;138.21;-0.07;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1_SNd";;;;;;;0.04;;-5.58;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM432125;MM432125;C=CC(O)C1C(C)N1C=N;BTYFCNSQERRIBV-UHFFFAOYSA-N;140.19;0.21;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nda_SP1";;;;;;;0.04;;-4.91;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM432126;MM432126;C=CC(C#CCCC)OC;SWRHEAZOTUPTML-UHFFFAOYSA-N;138.21;1.99;;;;;DOPC;MDCG;27;0;"MARTINI bead: C3_Na";;;;;;;2.57;;0.45;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM432127;MM432127;C=C(C)C(=C)C(=O)N1CC1;NNTUJZILVLSTAS-UHFFFAOYSA-N;137.18;0.96;;;;;DOPC;MDCG;27;0;"MARTINI bead: C3_SP2";;;;;;;1.46;;-0.15;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM432128;MM432128;CCCC1CCN(C=N)C1;CCQOSBXFJYSTCE-UHFFFAOYSA-N;140.23;1.72;;;;;DOPC;MDCG;27;1;"MARTINI bead: SC5_SP1";;;;;;;0.81;;-4.67;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM432129;MM432129;CCC(CCN)CC1CC1;KTUBFVVWDGUVJB-UHFFFAOYSA-N;141.26;2.16;;;;;DOPC;MDCG;27;1;"MARTINI bead: C5_SC5";;;;;;;2.41;;-0.48;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM432130;MM432130;C#CC1(CN)CC1CCO;DYINWDIUVCZNMU-UHFFFAOYSA-N;139.2;-0.03;;;;;DOPC;MDCG;27;1;"MARTINI bead: SNd_P1";;;;;;;0.04;;-5.12;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM432131;MM432131;C=CC(C#CCCO)OC;GSJHUMPIGJGURU-UHFFFAOYSA-N;140.18;0.57;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_Nda";;;;;;;0.87;;-1.99;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM432132;MM432132;C=CC(O)C1C(C)N1C=O;KJBNHXUMFQFLHC-UHFFFAOYSA-N;141.17;-0.24;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda_SP1";;;;;;;0.04;;-2.73;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM432133;MM432133;CC(F)=C(C)C(C)C1CC1;OUSRLTXMUDIQQB-UHFFFAOYSA-N;142.22;3.3;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC5_C1";;;;;;;3.68;;0.46;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM432134;MM432134;N=CN1CCC(CCN)C1;LCEMLBFQZBNGBR-UHFFFAOYSA-N;141.22;0.26;;;;;DOPC;MDCG;27;1;"MARTINI bead: SP1_SP1";;;;;;;-0.79;;-7.33;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM432135;MM432135;NCCC(CN)CC1CC1;KTERQBKRTSRTRP-UHFFFAOYSA-N;142.25;0.71;;;;;DOPC;MDCG;27;1;"MARTINI bead: P2_SC5";;;;;;;0.54;;-4.16;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM432136;MM432136;CN=C(C)N=C(N)C=O;AEUAUERTUDJEGL-UHFFFAOYSA-N;127.15;-0.41;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nd_P2";;;;;;;-0.24;;-3.16;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM432137;MM432137;C=CC(C#CCCF)OC;OLIGLXWRFGGKRV-UHFFFAOYSA-N;142.17;1.55;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_Na";;;;;;;0.87;;-2.22;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM432138;MM432138;CC1C(C(O)C=O)N1C=O;GFLMSHDMULQACP-UHFFFAOYSA-N;143.14;-1.22;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_SP1";;;;;;;-1.06;;-3.82;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM432139;MM432139;CC(C)=C(C)C(=N)N1CC1;KZKRVEHKDRONCD-UHFFFAOYSA-N;138.21;1.64;;;;;DOPC;MDCG;27;1;"MARTINI bead: C1_SP2";;;;;;;1.8;;-2.64;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM432140;MM432140;COC(CCN)CC1CN1;HATDQUPDJXKTHA-UHFFFAOYSA-N;144.22;-0.29;;;;;DOPC;MDCG;27;1;"MARTINI bead: P2_SP1";;;;;;;-1.06;;-6.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM432141;MM432141;NCCC1CCN(C=O)C1;MLJHTXKSKZTGBK-UHFFFAOYSA-N;142.2;-0.19;;;;;DOPC;MDCG;27;1;"MARTINI bead: SP1_SP1";;;;;;;-0.79;;-5.63;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM432142;MM432142;C#CC1(CC)CC1CNC;VYYZMCQGXNJAOO-UHFFFAOYSA-N;137.23;1.26;;;;;DOPC;MDCG;27;1;"MARTINI bead: SC4_P1";;;;;;;1.37;;-3.04;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM432143;MM432143;CCCC#CC(C=O)OC;LAKGWNJPXSIBEJ-UHFFFAOYSA-N;140.18;1;;;;;DOPC;MDCG;27;0;"MARTINI bead: C3_P1";;;;;;;1.74;;0.29;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM432144;MM432144;CC1C(C(F)C#N)N1C=N;RXYVHXOWBLCINW-UHFFFAOYSA-N;141.15;0.53;;;;;DOPC;MDCG;27;1;"MARTINI bead: Na_SP1";;;;;;;0.04;;-4.34;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM432145;MM432145;N=c1c(=O)nn[nH]n1O;WHWWNHRORXIRIB-UHFFFAOYSA-N;129.08;-2.32;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP2_SP3";;;;;;;-2.2;;-9.61;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM432146;MM432146;C=CCC(CN1CC1)NC;MLUVZLPOXCMYCT-UHFFFAOYSA-N;140.23;0.47;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_SP1";;;;;;;0.04;;-5.31;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM432147;MM432147;C=NN1CCC(CCN)C1;RBJDZHXIHHNUIC-UHFFFAOYSA-N;141.22;0.27;;;;;DOPC;MDCG;27;1;"MARTINI bead: SP1_SP1";;;;;;;-0.79;;-5.92;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM432148;MM432148;C#CC1(CN)CC1CNC;RJCPYPWGBYMNPH-UHFFFAOYSA-N;138.21;-0.2;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1_SNd";;;;;;;0.04;;-5.82;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM432149;MM432149;CCCC#CC(C#N)OC;AWPOQMHOMJVSKN-UHFFFAOYSA-N;137.18;1.33;;;;;DOPC;MDCG;27;0;"MARTINI bead: C3_P1";;;;;;;1.74;;0.29;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM432150;MM432150;C=CC(F)C1C(C)N1C=O;PBMPJYREDUOPRV-UHFFFAOYSA-N;143.16;0.74;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_SP1";;;;;;;0.04;;-2.54;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM432151;MM432151;C#CCC(CC)CC1CC1;DFQDCHPHCWZUQT-UHFFFAOYSA-N;136.24;2.84;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1_SC5";;;;;;;3.68;;0.46;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM432152;MM432152;O=C(C=C(F)C(=O)O)CO;UXRQSRYMRACZKA-UHFFFAOYSA-N;148.09;-0.51;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_Nda";;;;;;;-0.24;;-8.35;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM432153;MM432153;CCNC1CCN(C=N)C1;IVOWQBAFGZPDCM-UHFFFAOYSA-N;141.22;0.28;;;;;DOPC;MDCG;27;1;"MARTINI bead: SP1_SP1";;;;;;;-0.79;;-7.01;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM432154;MM432154;C#CC1(CC)CC1COC;CLRGMLQZTCCSHJ-UHFFFAOYSA-N;138.21;1.68;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC4_P1";;;;;;;1.37;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM432155;MM432155;CCON=C(C=O)N=CN;CKNQQLPYOIQRMB-UHFFFAOYSA-N;143.15;-0.48;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda_P2";;;;;;;-0.24;;-3.31;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM432156;MM432156;COC(C#N)C#CCCO;FXNJSFBNYCIKSB-UHFFFAOYSA-N;139.15;-0.09;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_Nda";;;;;;;0.04;;-2.73;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM432157;MM432157;C#CCC(CC)OC1CC1;YXOSOINFMUUBJG-UHFFFAOYSA-N;138.21;1.97;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1_SP1";;;;;;;2.08;;0.48;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM432158;MM432158;NC(=NOC=O)C(=O)O;IQVBFOPJKSCLOQ-UHFFFAOYSA-N;132.08;-1.48;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_P1";;;;;;;-1.06;;-8.92;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM432159;MM432159;C=NN1CCC(NCC)C1;JQRJMMHHOSAEQY-UHFFFAOYSA-N;141.22;0.29;;;;;DOPC;MDCG;27;1;"MARTINI bead: SP1_SP1";;;;;;;-0.79;;-4.96;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM432160;MM432160;C#CC1(CN)CC1COC;CPSXZPDPRVVNBS-UHFFFAOYSA-N;139.2;0.23;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1_SNd";;;;;;;0.04;;-5.12;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM432161;MM432161;C=NN1C(C)C1C(C)C#N;GNFLXBVKZLTWCL-UHFFFAOYSA-N;137.19;0.83;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_SP1";;;;;;;-0.79;;-3.13;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM432162;MM432162;C=CC(C#CCOC)OC;JIAFUBIEWPTLEE-UHFFFAOYSA-N;140.18;0.84;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_Na";;;;;;;0.87;;-2.22;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM432163;MM432163;C#CCC(CN)OC1CC1;VFVUWJLHUXZZMY-UHFFFAOYSA-N;139.2;0.52;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_SP1";;;;;;;0.04;;-4.68;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM432164;MM432164;N#Cc1nn(O)c(=NO)[nH]1;BFQFKDSPCKGYAH-UHFFFAOYSA-N;141.09;-1.39;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP3_SP1";;;;;;;-1.93;;-9.07;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM432165;MM432165;N=CN1CC(CCN)CN1;PXMRDZXUZZHUOH-UHFFFAOYSA-N;142.21;-0.62;;;;;DOPC;MDCG;27;1;"MARTINI bead: SP2_SP3";;;;;;;-2.2;;-7.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM432166;MM432166;C=CC(N)C1C(C)N1N=C;UCKSCYBSBZILHV-UHFFFAOYSA-N;139.2;0.19;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1_SP1";;;;;;;-0.79;;-4.42;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM432167;MM432167;C#CC1(CO)CC1COC;LEWPNUXAQMDAEO-UHFFFAOYSA-N;140.18;0.26;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_SNda";;;;;;;0.04;;-2.73;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM432168;MM432168;C=CCC#CC(C=C)CC;OWOHINHRHDNRRV-UHFFFAOYSA-N;134.22;2.78;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1_C5";;;;;;;3.68;;0.46;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM432169;MM432169;C#CCC(CN)CN1CC1;NBPIJOCAVHFVHT-UHFFFAOYSA-N;138.21;-0.1;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_SP1";;;;;;;0.04;;-5.07;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM432170;MM432170;NC=C(C#CCO)C(=O)O;LAGUOPDDWWEHAR-UHFFFAOYSA-N;141.13;-1.09;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_P2";;;;;;;-1.06;;-8.92;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM432171;MM432171;CCNC1CNN(C=N)C1;FJSLXJQBAJZPBD-UHFFFAOYSA-N;142.21;-0.61;;;;;DOPC;MDCG;27;1;"MARTINI bead: SP2_SP3";;;;;;;-2.2;;-7.34;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM432172;MM432172;CN=C(C(C)=O)N(C)OC;SMWBCWGMEUKTIO-UHFFFAOYSA-N;144.17;0.1;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_Na";;;;;;;0.04;;-2.54;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM432173;MM432173;CCCC(C#N)CC1CC1;MIBZOGJNCOZGQY-UHFFFAOYSA-N;137.23;2.73;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_SC5";;;;;;;2.41;;0.64;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM432174;MM432174;C=CC(C#CCC=O)CC;BFOWVCRJPFHNPM-UHFFFAOYSA-N;136.19;1.79;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1_Na";;;;;;;2.91;;0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM432175;MM432175;C#CC1(NC)CC1CCC;QVOUBOSDRPKQRY-UHFFFAOYSA-N;137.23;1.4;;;;;DOPC;MDCG;27;1;"MARTINI bead: C3_SNd";;;;;;;2.57;;-0.42;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM432176;MM432176;O=c1[nH]oc(=NN2CC2)o1;KZQWHIOGVRJZSS-UHFFFAOYSA-N;143.1;-1.31;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP2_SP2";;;;;;;-1.34;;-4.31;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM432177;MM432177;CCNC1CNN(C=O)C1;WAZLEQWSVIUSIG-UHFFFAOYSA-N;143.19;-1.06;;;;;DOPC;MDCG;27;1;"MARTINI bead: SP2_SP2";;;;;;;-1.34;;-5.57;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM432178;MM432178;C=NN1CC1C#CC(C)=O;ZHKIPQQJBJDSIE-UHFFFAOYSA-N;136.15;-0.12;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_SP2";;;;;;;-0.24;;-3.24;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM432179;MM432179;C#CC1(NC)CC1CCN;IXGSCTQHEXQBRI-UHFFFAOYSA-N;138.21;-0.05;;;;;DOPC;MDCG;27;1;"MARTINI bead: SNd_P1";;;;;;;0.04;;-5.45;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM432180;MM432180;C=CC(CCC)NC1CC1;JEDZPIHIGZIWEH-UHFFFAOYSA-N;139.24;2.09;;;;;DOPC;MDCG;27;1;"MARTINI bead: C1_SP1";;;;;;;2.08;;-0.69;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM432181;MM432181;C=CC(C#CCC#N)CC;FDJFJEWNTFEPKB-UHFFFAOYSA-N;133.19;2.12;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1_N0";;;;;;;3.21;;0.46;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM432182;MM432182;Cc1coc(=NN2CC2)o1;VWKYDPRJWULZII-UHFFFAOYSA-N;140.14;0.31;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP1_SP2";;;;;;;-1.06;;-3.82;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM432183;MM432183;NCCC1CON(C=O)C1;CIITVLBCTVTVMH-UHFFFAOYSA-N;144.17;-0.65;;;;;DOPC;MDCG;27;1;"MARTINI bead: SP2_SP2";;;;;;;-1.34;;-6.78;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM432184;MM432184;C=CC(F)C1C(C)N1N=C;KKRNRGOEVFUWLS-UHFFFAOYSA-N;142.18;1.2;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_SP1";;;;;;;0.04;;-2.54;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM432185;MM432185;CCCC(C#N)NC1CC1;YANIJTIGVGARQF-UHFFFAOYSA-N;138.21;1.43;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_SP1";;;;;;;0.81;;-0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM432186;MM432186;C#CC1(NC)CC1CCO;XWWANFNAIZFQDE-UHFFFAOYSA-N;139.2;-0.02;;;;;DOPC;MDCG;27;1;"MARTINI bead: SNd_P1";;;;;;;0.04;;-4;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM432187;MM432187;C=CCC#CC(C=O)CC;GTPUYLITWHUXCF-UHFFFAOYSA-N;136.19;1.79;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_C5";;;;;;;2.41;;0.64;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM432188;MM432188;C#CCC(C=NN=C)=NN;LRCNOYVPJFEEEK-UHFFFAOYSA-N;136.16;0.01;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nd_N0";;;;;;;1.17;;-1.04;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM432189;MM432189;C=CC1CCN(CCC)C1;PPSHJVPUMIFBEC-UHFFFAOYSA-N;139.24;1.9;;;;;DOPC;MDCG;27;1;"MARTINI bead: SC5_SN0";;;;;;;1.94;;-1.97;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM432190;MM432190;C=NN1C(C)C1C(F)C#N;HNXXPLVIDGJKHL-UHFFFAOYSA-N;141.15;0.54;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_SP1";;;;;;;0.04;;-2.54;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM432191;MM432191;C#CC1(NC)CC1CCF;WABOSKSHRWBFAS-UHFFFAOYSA-N;141.19;0.96;;;;;DOPC;MDCG;27;1;"MARTINI bead: SNd_C5";;;;;;;1.64;;-1.57;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM432192;MM432192;C=CC(CCC)CC1CO1;RMAAOSHCRFWGDO-UHFFFAOYSA-N;140.23;2.38;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1_SNa";;;;;;;2.91;;0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM432193;MM432193;C=CCC#CC(C#N)CC;WHHAOBQCWOMVRA-UHFFFAOYSA-N;133.19;2.12;;;;;DOPC;MDCG;27;0;"MARTINI bead: N0_C5";;;;;;;1.94;;0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM432194;MM432194;O=C(O)n1nc(O)c(=O)o1;QERUZHFMUGNULC-UHFFFAOYSA-N;146.06;-0.93;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP1_SP4";;;;;;;-2.01;;-9.09;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM432195;MM432195;C=CC1C(C)N1C(C)C#N;SPBQGBRBQQPLRJ-UHFFFAOYSA-N;136.2;1.16;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_SP1";;;;;;;-1.06;;-3.82;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM432196;MM432196;C=CCC1CCC(C=C)C1;BLUFUCSDPZADMT-UHFFFAOYSA-N;136.24;3.16;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC1_SC2";;;;;;;4.87;;0.53;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM432197;MM432197;C#CC1(NC)CC1CNC;VZYNSFJMTSJEQJ-UHFFFAOYSA-N;138.21;-0.18;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1_SNd";;;;;;;0.04;;-5.38;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM432198;MM432198;CCCC(C=O)CC1CO1;JRLMMTQJNQRQOZ-UHFFFAOYSA-N;142.2;1.39;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_SNa";;;;;;;1.64;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM432199;MM432199;CCC(C#CCC=O)C=O;UUUNDYKPMOJWRO-UHFFFAOYSA-N;138.17;0.8;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_Na";;;;;;;1.64;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM432200;MM432200;Fc1coc(=NN2CC2)o1;UUTCVPDNJUZIRI-UHFFFAOYSA-N;144.11;0.14;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP1_SP2";;;;;;;-1.06;;-3.82;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM432201;MM432201;CC1C(C#N)N1N(C)C=N;ICQLKNOMLKGSJH-UHFFFAOYSA-N;138.17;0.04;;;;;DOPC;MDCG;27;1;"MARTINI bead: SP2_P3";;;;;;;-2.2;;-7.7;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM432202;MM432202;N#CCC1CCC(C=O)C1;NKUBYDPQSVWFRS-UHFFFAOYSA-N;137.18;1.52;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNa_SC4";;;;;;;2.2;;0.34;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM432203;MM432203;C#CC1(NC)CC1COC;XLBYBVPTABFYFU-UHFFFAOYSA-N;139.2;0.24;;;;;DOPC;MDCG;27;1;"MARTINI bead: SNd_P1";;;;;;;0.04;;-4.08;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM432204;MM432204;CCCC(C#N)CN1CC1;YQTOLKODOIJKTO-UHFFFAOYSA-N;138.21;1.24;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_SP1";;;;;;;0.81;;-0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM432205;MM432205;CCC(C#N)C#CCC=O;HJZHICYWILAMOP-UHFFFAOYSA-N;135.17;1.13;;;;;DOPC;MDCG;27;0;"MARTINI bead: N0_Na";;;;;;;1.17;;-1.18;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM432206;MM432206;Cc1noc(=NN2CC2)o1;FJBUCZYBQWWHEK-UHFFFAOYSA-N;141.13;-0.29;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP2_SP2";;;;;;;-1.34;;-4.31;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM432207;MM432207;C#CC(C)C1C(C)C1C=C;YUMFUVDARCXPFM-UHFFFAOYSA-N;134.22;2.32;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_SC4";;;;;;;2.97;;0.45;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM432208;MM432208;N#CCC1CCC(C#N)C1;AFIXOWHWIXQTQW-UHFFFAOYSA-N;134.18;1.84;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC4_SC5";;;;;;;2.97;;0.45;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM432209;MM432209;C#CC1(OC)CC1CCC;ITMOOPZZEOVJKW-UHFFFAOYSA-N;138.21;1.82;;;;;DOPC;MDCG;27;0;"MARTINI bead: C3_SNa";;;;;;;2.57;;0.45;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM432210;MM432210;C=CC(CC#N)CC1CC1;JQWVEBSOZUKEHN-UHFFFAOYSA-N;135.21;2.5;;;;;DOPC;MDCG;27;0;"MARTINI bead: N0_SC5";;;;;;;1.94;;0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM432211;MM432211;CCC(C#CCC#N)C=O;AEYQFOGGKBWKRJ-UHFFFAOYSA-N;135.17;1.13;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_N0";;;;;;;1.94;;0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM432212;MM432212;C=CC1CCC(NC=N)C1;FOZDQMOHDISUKP-UHFFFAOYSA-N;138.21;1.54;;;;;DOPC;MDCG;27;1;"MARTINI bead: SC2_SNd";;;;;;;2.83;;-2.14;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM432213;MM432213;C=NN=CC(C=CN)=NN;VUMDIGAKTWOEPO-UHFFFAOYSA-N;139.16;-0.54;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_Nd";;;;;;;0.04;;-2.63;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM432214;MM432214;C#CC(C)C1C(O)C1C#N;CLATVONVQRSYOR-UHFFFAOYSA-N;135.17;0.39;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_SP2";;;;;;;0.54;;-1.09;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM432215;MM432215;C#CC1(OC)CC1CCN;QRTFYYXFKGHLLV-UHFFFAOYSA-N;139.2;0.37;;;;;DOPC;MDCG;27;1;"MARTINI bead: SNa_P1";;;;;;;0.04;;-5.31;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM432216;MM432216;C=CCC(C=O)CC1CC1;AGTNUISXBYZWCT-UHFFFAOYSA-N;138.21;2.18;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_SC5";;;;;;;1.64;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM432217;MM432217;CCC(C#N)C#CCC#N;MAPZJTLDOZHZNC-UHFFFAOYSA-N;132.17;1.45;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_P1";;;;;;;0.81;;-0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM432218;MM432218;C=CC1CC(CC#N)CN1;YQNQRWBCLDEBCE-UHFFFAOYSA-N;136.2;1.06;;;;;DOPC;MDCG;27;1;"MARTINI bead: SNd_SP1";;;;;;;0.04;;-5.07;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM432219;MM432219;N#CCC(F)C(C#N)=NO;UJROVDOOIUOTMP-UHFFFAOYSA-N;141.11;0.59;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_Na";;;;;;;-0.24;;-8.44;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM432220;MM432220;C#CC(O)C1C(O)C1C#N;PKPIYTPGBCIUNW-UHFFFAOYSA-N;137.14;-0.89;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_SP2";;;;;;;-1.34;;-4.31;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM432221;MM432221;C#CC1(OC)CC1COC;COPCFHZCEMXDPG-UHFFFAOYSA-N;140.18;0.67;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_SNa";;;;;;;0.04;;-2.54;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM432222;MM432222;C=CC(CC#N)OC1CC1;VVKUTWXVSMIIQR-UHFFFAOYSA-N;137.18;1.63;;;;;DOPC;MDCG;27;0;"MARTINI bead: N0_SP1";;;;;;;0.34;;-1.53;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM432223;MM432223;C=CCC#CC(C=C)CN;LTYGEHALXMTKOP-UHFFFAOYSA-N;135.21;1.33;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_C5";;;;;;;1.64;;-2.3;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM432224;MM432224;Fc1noc(=NN2CC2)o1;HUNQGEGBJVBPTA-UHFFFAOYSA-N;145.09;-0.46;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP2_SP2";;;;;;;-1.34;;-4.31;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM432225;MM432225;C=CCC1CNC(C=O)C1;SVIGAGCQQZGXBD-UHFFFAOYSA-N;139.2;0.74;;;;;DOPC;MDCG;27;1;"MARTINI bead: SC5_SP1";;;;;;;0.81;;-2.68;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM432226;MM432226;C=CC(CC1CN1)NC=N;VJLGUVWLQXACOZ-UHFFFAOYSA-N;139.2;0.1;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_SP2";;;;;;;-0.24;;-6.86;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM432227;MM432227;N=CN(C=O)NC=CC=O;GZFHEHPLHIHULM-UHFFFAOYSA-N;141.13;-0.73;;;;;DOPC;MDCG;27;0;"MARTINI bead: P4_Na";;;;;;;-1.19;;-4.76;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM432228;MM432228;C#CC1(CC)CC1NCC;AUJFGMCCMJBGNA-UHFFFAOYSA-N;137.23;1.4;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_SC4";;;;;;;2.2;;-1.86;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM432229;MM432229;CC=C(C)CCC(C)(C)O;CGBKQNNTSQUIOU-UHFFFAOYSA-N;142.24;2.5;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1_Nda";;;;;;;2.91;;0.57;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM432230;MM432230;O=c1occ(CC2CC2)o1;WZXDDLOGCPQXDE-UHFFFAOYSA-N;140.14;1.19;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP1_SC5";;;;;;;0.81;;-0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM432231;MM432231;N#CCC1CNC(C=O)C1;UQMJNUMDEFOZFK-UHFFFAOYSA-N;138.17;0.08;;;;;DOPC;MDCG;27;1;"MARTINI bead: SP1_SP1";;;;;;;-0.79;;-4.33;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM432232;MM432232;N#CCN(C=N)CC1CN1;GWUHDSMYIZDTRR-UHFFFAOYSA-N;138.17;-0.61;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1_SP2";;;;;;;-1.06;;-5.49;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM432233;MM432233;C=CC(=CF)C(=N)NN=C;QEPUJQXHLYKTRX-UHFFFAOYSA-N;141.15;1.21;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4_P2";;;;;;;1.09;;-0.37;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM432234;MM432234;C#CC1(CN)CC1NCC;YPTBAPJKQCMTBJ-UHFFFAOYSA-N;138.21;-0.05;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_SNd";;;;;;;0.87;;-4.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM432235;MM432235;C=CC(C#CCC#N)CO;YXBYUGGHTPJUEV-UHFFFAOYSA-N;135.17;0.7;;;;;DOPC;MDCG;27;0;"MARTINI bead: N0_P1";;;;;;;0.34;;-1.53;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM432236;MM432236;N#CCC1CNC(C#N)C1;RAYPPMSSTIYMSK-UHFFFAOYSA-N;135.17;0.4;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP1_SP1";;;;;;;-0.79;;-3.13;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM432237;MM432237;C=CC(CC1CO1)NC=N;GZFZVYDNGGRPIS-UHFFFAOYSA-N;140.19;0.53;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1_SNa";;;;;;;0.04;;-6.23;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM432238;MM432238;O=c1occ(NC2CC2)o1;NWRISHKTEPQGQI-UHFFFAOYSA-N;141.13;0.81;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP1_SP1";;;;;;;-0.79;;-3.13;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM432239;MM432239;C#CC1(CO)CC1NCC;QGAYMVSNNLBNEK-UHFFFAOYSA-N;139.2;-0.02;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_SNda";;;;;;;0.87;;-3.82;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM432240;MM432240;C#CC(F)C1C(C=C)N1C;YSJVHCLSEJOYNU-UHFFFAOYSA-N;139.17;0.83;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNd_Na";;;;;;;0.87;;-1.88;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM432241;MM432241;C=CCC#CC(C=O)CO;QIYFGKGPVXGCDI-UHFFFAOYSA-N;138.17;0.37;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_C5";;;;;;;0.54;;-1.09;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM432242;MM432242;C=CC1CC(NC=N)CN1;FAJNWZWCMPPWSL-UHFFFAOYSA-N;139.2;0.1;;;;;DOPC;MDCG;27;1;"MARTINI bead: SNd_SP2";;;;;;;-0.24;;-7.02;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM432243;MM432243;O=c1occ(OC2CC2)o1;JNPZINLKBPTQKZ-UHFFFAOYSA-N;142.11;0.77;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP1_SP1";;;;;;;-0.79;;-3.13;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM432244;MM432244;C=NN(CC#N)CC1CO1;GCCAUKSBXXYFRZ-UHFFFAOYSA-N;139.16;-0.17;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_SP1";;;;;;;-0.79;;-3.13;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM432245;MM432245;C#CC1(NC)CC1NCC;LCTKTDXLPLXZAZ-UHFFFAOYSA-N;138.21;-0.04;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_SNd";;;;;;;0.87;;-3.53;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM432246;MM432246;C=CCC#CC(C#N)CO;NMSBFBAYBMDWIV-UHFFFAOYSA-N;135.17;0.7;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_C5";;;;;;;0.54;;-1.09;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM432247;MM432247;C#CC(C)C1C(C)N1C=N;ZTQSEDKQRJTSBB-UHFFFAOYSA-N;136.2;0.94;;;;;DOPC;MDCG;27;1;"MARTINI bead: C5_SP1";;;;;;;0.81;;-3.1;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM432248;MM432248;C=CC1CC(NN=C)CN1;PLVGNGXOQPRBQT-UHFFFAOYSA-N;139.2;0.11;;;;;DOPC;MDCG;27;1;"MARTINI bead: SNd_SP1";;;;;;;0.04;;-4.55;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM432249;MM432249;O=c1onc(CC2CC2)o1;MCXMKKVXBFKSMP-UHFFFAOYSA-N;141.13;0.58;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP2_SC5";;;;;;;0.54;;-1.09;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM432250;MM432250;C#CC1(OC)CC1NCC;QXUSMNRPMNVEDD-UHFFFAOYSA-N;139.2;0.39;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_SNa";;;;;;;0.87;;-3.31;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM432251;MM432251;C=CC(CC#N)CN1CC1;UKQFSNONFGDXTK-UHFFFAOYSA-N;136.2;1.02;;;;;DOPC;MDCG;27;0;"MARTINI bead: N0_SP1";;;;;;;0.34;;-1.53;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM432252;MM432252;C#CC(C)C1C(C)N1C=O;QXBDSGVIHJMNHF-UHFFFAOYSA-N;137.18;0.48;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_SP1";;;;;;;0.81;;-0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM432253;MM432253;O=CCC#CC(C=O)CO;INNBMVSKHXXDOP-UHFFFAOYSA-N;140.14;-0.61;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_Na";;;;;;;-0.24;;-3.24;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM432254;MM432254;C=COC1CNC(C=C)C1;DIAUFFFDAHBANT-UHFFFAOYSA-N;139.2;1.06;;;;;DOPC;MDCG;27;1;"MARTINI bead: SNa_SNd";;;;;;;0.87;;-4.39;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM432255;MM432255;C#CC1(CC)CC1OCC;PGPSWZMRUWPCPL-UHFFFAOYSA-N;138.21;1.82;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_SC4";;;;;;;2.2;;0.34;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM432256;MM432256;C=NN=CC(=NN)C(=C)C;SEVGOWDIQZASHT-UHFFFAOYSA-N;138.17;0.56;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_P1";;;;;;;0.81;;-0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM432257;MM432257;NN=C1CC2(F)CC2O1;ZDCYNRQFWDEDOB-UHFFFAOYSA-N;130.12;0.16;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNda_SNa";;;;;;;0.87;;-1.99;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM432258;MM432258;N#CC(C#CCC=O)CO;HNMZRWLHOSJKBR-UHFFFAOYSA-N;137.14;-0.29;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_Na";;;;;;;-0.24;;-3.24;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM432259;MM432259;C#CC(N)C1C(C)N1C=N;XVURORRCYUVMJY-UHFFFAOYSA-N;137.19;-0.37;;;;;DOPC;MDCG;27;1;"MARTINI bead: P2_SP1";;;;;;;-1.06;;-6.1;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM432260;MM432260;C=COC1CNC(C#N)C1;SLQVYPBWWIXWQD-UHFFFAOYSA-N;138.17;0.4;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNa_SP1";;;;;;;0.04;;-2.54;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM432261;MM432261;C#CC1(OC)CC1OCC;RJCSJWCDROAWOQ-UHFFFAOYSA-N;140.18;0.81;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_SNa";;;;;;;0.87;;-2.22;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM432262;MM432262;O=c1onc(OC2CC2)o1;XQRPKOYXQFWFNI-UHFFFAOYSA-N;143.1;0.17;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP2_SC5";;;;;;;0.54;;-1.09;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM432263;MM432263;C=CCC#CC(C=C)CF;BQPYKJHVKAKJSF-UHFFFAOYSA-N;138.19;2.34;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_C5";;;;;;;2.41;;0.64;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM432264;MM432264;C#CCN(C=O)CC1CC1;ACQBXPVGTZXNKV-UHFFFAOYSA-N;137.18;0.49;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_SC5";;;;;;;0.81;;-0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM432265;MM432265;C#CC(O)C1C(C)N1C=N;MNEOSGWEKPXTIW-UHFFFAOYSA-N;138.17;-0.34;;;;;DOPC;MDCG;27;1;"MARTINI bead: P2_SP1";;;;;;;-1.06;;-5.81;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM432266;MM432266;C=CC1CC(CC#N)CO1;PEKACMAYYVOZLI-UHFFFAOYSA-N;137.18;1.49;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNa_SN0";;;;;;;1.17;;-1.18;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM432267;MM432267;C#CC1(CC)NC1CCC;HFBIDKULLICCME-UHFFFAOYSA-N;137.23;1.54;;;;;DOPC;MDCG;27;0;"MARTINI bead: C3_SNd";;;;;;;2.57;;0.57;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM432268;MM432268;C=CC(C#CCC=O)CF;VZYILHLBNOIJGU-UHFFFAOYSA-N;140.16;1.35;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_Na";;;;;;;1.64;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM432269;MM432269;O=c1occ(CC2CO2)o1;IUKKFALKDTXADH-UHFFFAOYSA-N;142.11;0.17;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP1_SNa";;;;;;;0.04;;-2.54;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM432270;MM432270;C#CCN(CC1CC1)N=C;RFTFYROEHOAWCK-UHFFFAOYSA-N;136.2;0.95;;;;;DOPC;MDCG;27;0;"MARTINI bead: N0_SC5";;;;;;;1.94;;0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM432271;MM432271;C#CC(O)C1C(C)N1C=O;WWIBWEQATDJUOQ-UHFFFAOYSA-N;139.15;-0.79;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_SP1";;;;;;;-1.06;;-3.82;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM432272;MM432272;N#CCC1COC(C=O)C1;MSECVIBJHPSYGC-UHFFFAOYSA-N;139.15;0.5;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP1_SN0";;;;;;;0.34;;-1.53;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM432273;MM432273;C#CC1(CC)NC1CCN;KJBSVXBCZLRUCR-UHFFFAOYSA-N;138.21;0.09;;;;;DOPC;MDCG;27;1;"MARTINI bead: SNd_P1";;;;;;;0.04;;-5.08;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM432274;MM432274;O=c1onc(CC2CO2)o1;UJVKQTWVSBCXJD-UHFFFAOYSA-N;143.1;-0.43;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP2_SP1";;;;;;;-1.06;;-3.82;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM432275;MM432275;C=CC(C#CCC#N)CF;ASQAKKXUSUVSRA-UHFFFAOYSA-N;137.16;1.68;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_N0";;;;;;;1.94;;0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM432276;MM432276;C#CCN(C=O)OC1CC1;YLFBYOLJMYJYID-UHFFFAOYSA-N;139.15;0.17;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_SC5";;;;;;;0.54;;-1.09;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM432277;MM432277;C#CC(F)C1C(C)N1C=N;NCHQKHPQHXJHJX-UHFFFAOYSA-N;140.16;0.64;;;;;DOPC;MDCG;27;1;"MARTINI bead: Na_SP1";;;;;;;0.04;;-4.39;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM432278;MM432278;C=COC1COC(C=C)C1;MIWYNAWBAQQSHI-UHFFFAOYSA-N;140.18;1.49;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNa_SNa";;;;;;;0.87;;-2.22;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM432279;MM432279;CC(=O)CN(C=N)C=O;ULKSEYIDMMOJHU-UHFFFAOYSA-N;128.13;-0.36;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_P3";;;;;;;-1.1;;-4.2;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM432280;MM432280;O=c1occ(CN2CC2)o1;JUTJFLDDHRUROE-UHFFFAOYSA-N;141.13;0.05;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP1_SP1";;;;;;;-0.79;;-3.13;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM432281;MM432281;C#CCN(C=N)CC1CN1;JJMAXKXETOKQHK-UHFFFAOYSA-N;137.19;-0.5;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1_SP2";;;;;;;-1.06;;-6.11;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM432282;MM432282;C=CCC#CC(C=O)CF;GOQYIQOMNVZVRG-UHFFFAOYSA-N;140.16;1.35;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_C5";;;;;;;0.81;;-0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM432283;MM432283;C#CC(C)C1C(C)N1N=C;RHLALRACVZSAMP-UHFFFAOYSA-N;136.2;0.94;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_SP1";;;;;;;0.81;;-0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM432284;MM432284;C#CC1(CC)NC1CCF;FKXSHPFUHLVJLC-UHFFFAOYSA-N;141.19;1.1;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNd_C5";;;;;;;1.64;;0.03;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM432285;MM432285;C=CCC1CC(C=C)CN1;RGLNMXHSCQRCHA-UHFFFAOYSA-N;137.23;1.73;;;;;DOPC;MDCG;27;1;"MARTINI bead: SNd_SN0";;;;;;;1.17;;-5.05;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM432286;MM432286;O=c1onc(CN2CC2)o1;IOQUSAMPJRPFOM-UHFFFAOYSA-N;142.11;-0.56;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP2_SP1";;;;;;;-1.06;;-3.82;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM432287;MM432287;C#CCC(C=C)CC1CO1;PNOJLVQCQLVCGH-UHFFFAOYSA-N;136.19;1.6;;;;;DOPC;MDCG;27;0;"MARTINI bead: C3_SNa";;;;;;;2.57;;0.45;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM432288;MM432288;C=CCC#CC(C#N)CF;PJEGUIRMVJCYGO-UHFFFAOYSA-N;137.16;1.68;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_C5";;;;;;;1.64;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM432289;MM432289;CCCn1ccc(NN)n1;RHFOFNSTVCIXNG-UHFFFAOYSA-N;140.19;0.58;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC5_SP1";;;;;;;0.81;;-0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM432290;MM432290;C=CCn1nnc(O)n1;NXHDRDPUPNJSKJ-UHFFFAOYSA-N;126.12;-0.44;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP1_SP1";;;;;;;-0.79;;-8.6;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM432291;MM432291;C#CC1(CN)NC1CCC;VNGKUXCZYVBAMA-UHFFFAOYSA-N;138.21;0.09;;;;;DOPC;MDCG;27;1;"MARTINI bead: C3_SP2";;;;;;;1.46;;-1.63;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM432292;MM432292;C=CC1CNC(CC#N)C1;YENMBELYLGAQSP-UHFFFAOYSA-N;136.2;1.06;;;;;DOPC;MDCG;27;1;"MARTINI bead: SN0_SP1";;;;;;;0.34;;-3.12;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM432293;MM432293;C#CCN(C=O)CC1CO1;WADGXJSTRISQRZ-UHFFFAOYSA-N;139.15;-0.52;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_SP1";;;;;;;-0.79;;-3.13;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM432294;MM432294;C=CCC#CC(C=C)NC;RZHOXINEQOXXRP-UHFFFAOYSA-N;135.21;1.34;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_C5";;;;;;;1.64;;-1.01;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM432295;MM432295;C#CC(F)C1C(C)N1N=C;ZXZBLPVHDFFLGL-UHFFFAOYSA-N;140.16;0.65;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_SP1";;;;;;;0.04;;-2.54;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM432296;MM432296;CC1C2CC1(N)C1C(N)C21;JGKWRQIZUNBJKD-UHFFFAOYSA-N;138.21;-0.07;;;;;DOPC;MDCG;27;1;"MARTINI bead: SNd_SNd";;;;;;;0.87;;-5.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM432297;MM432297;C#CC(CCN)CC1CC1;QOICBPISGDULTC-UHFFFAOYSA-N;137.23;1.38;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_SC5";;;;;;;1.64;;-2.66;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM432298;MM432298;C#CC1(CN)NC1CCN;VILISPYPYMLMMM-UHFFFAOYSA-N;139.2;-1.36;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1_SP2";;;;;;;-1.06;;-6.31;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM432299;MM432299;C=CCC1CC(C#N)CN1;WDCDQWXGTXQZNM-UHFFFAOYSA-N;136.2;1.06;;;;;DOPC;MDCG;27;1;"MARTINI bead: SNd_SP1";;;;;;;0.04;;-4.18;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM432300;MM432300;C=CC(C#CCC#N)NC;XFPJAFSDNJXVMD-UHFFFAOYSA-N;134.18;0.68;;;;;DOPC;MDCG;27;1;"MARTINI bead: N0_P1";;;;;;;0.34;;-2.61;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM432301;MM432301;C#CC(C)N1C(C)C1C=C;NXZSEQKHWXXXDP-UHFFFAOYSA-N;135.21;1.27;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_SP1";;;;;;;-0.79;;-3.13;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM432302;MM432302;C#CC1(CN)NC1CCO;SMGLYGQXLKBDOA-UHFFFAOYSA-N;140.19;-1.33;;;;;DOPC;MDCG;27;1;"MARTINI bead: SP2_P1";;;;;;;-1.06;;-5.42;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM432303;MM432303;C#CC(CNC)CC1CC1;NOPFJFNEIZKXIJ-UHFFFAOYSA-N;137.23;1.26;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_SC5";;;;;;;1.64;;-2.63;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM432304;MM432304;CC1C2CC1(O)C1C(N)C21;OYKFADDKNBTDNI-UHFFFAOYSA-N;139.2;-0.04;;;;;DOPC;MDCG;27;1;"MARTINI bead: SNda_SNd";;;;;;;0.87;;-4.18;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM432305;MM432305;N#CCC1CC(C=O)CO1;WPJXYIBMPNTJMR-UHFFFAOYSA-N;139.15;0.5;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP1_SNa";;;;;;;0.04;;-2.54;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM432306;MM432306;CC(=CF)CCC(C)(C)O;YJHSRBAPBYIIIB-UHFFFAOYSA-N;146.21;2.41;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4_Nda";;;;;;;2.2;;0.49;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM432307;MM432307;CN=c1c(F)c(N)on1N;CLSHCBIKNBZCLV-UHFFFAOYSA-N;146.13;-0.95;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNda_SP1";;;;;;;0.04;;-2.73;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM432308;MM432308;CC1C2CC1(F)C1C(N)C21;ZWCHPJKOFUEJIL-UHFFFAOYSA-N;141.19;0.94;;;;;DOPC;MDCG;27;1;"MARTINI bead: SC4_SNd";;;;;;;2.2;;-1.98;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM432309;MM432309;C#CC1(CN)NC1CCF;BEECHFBTWHHBHS-UHFFFAOYSA-N;142.18;-0.35;;;;;DOPC;MDCG;27;1;"MARTINI bead: SP2_C5";;;;;;;0.54;;-2.68;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM432310;MM432310;C=CCC1CCC(C=C)N1;PWSXQOYRCAZVHK-UHFFFAOYSA-N;137.23;1.87;;;;;DOPC;MDCG;27;1;"MARTINI bead: SN0_SNd";;;;;;;1.17;;-4.47;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM432311;MM432311;C#CC(CCN)NC1CC1;IHAWZYFDHVVEKB-UHFFFAOYSA-N;138.21;0.09;;;;;DOPC;MDCG;27;1;"MARTINI bead: P2_SC5";;;;;;;0.54;;-3.54;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM432312;MM432312;C#CC(=O)CC(C)ON=C;UENUJTNEWMCIEF-UHFFFAOYSA-N;139.15;0.6;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_Na";;;;;;;0.87;;-2.22;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM432313;MM432313;C#CC1C(C)C1C(N)CO;OQOAGVGSYNVPPH-UHFFFAOYSA-N;139.2;-0.18;;;;;DOPC;MDCG;27;1;"MARTINI bead: SC5_P3";;;;;;;-0.33;;-4.4;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM432314;MM432314;NC1C2CC1(N)C1C(O)C21;MNISDSKZVBMFET-UHFFFAOYSA-N;140.19;-1.35;;;;;DOPC;MDCG;27;1;"MARTINI bead: SP1_SNda";;;;;;;0.04;;-4.93;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM432315;MM432315;C=NNC(C)C(=C)C#N;QJOBOHIRQYZLQM-UHFFFAOYSA-N;123.16;0.66;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_C5";;;;;;;0.81;;-0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM432316;MM432316;C#CC(CCC)OC1CC1;GRIQXBOODHNUDP-UHFFFAOYSA-N;138.21;1.97;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1_SP1";;;;;;;2.08;;0.48;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM432317;MM432317;N#CCC1CCC(C#N)N1;DRGPYINVRZEKGE-UHFFFAOYSA-N;135.17;0.54;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP1_SP1";;;;;;;-0.79;;-3.13;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM432318;MM432318;CNC(C#N)C#CCC#N;QFAHXHBKMJAMFY-UHFFFAOYSA-N;133.15;0.02;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_P1";;;;;;;-1.06;;-3.82;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM432319;MM432319;C#CC1C(N)C1C(O)CO;BIYZADOZWNGKNY-UHFFFAOYSA-N;141.17;-1.45;;;;;DOPC;MDCG;27;1;"MARTINI bead: SP1_P3";;;;;;;-1.93;;-6.33;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM432320;MM432320;CC1C2CC1(O)C1C(F)C21;BIZDETABQCHSDV-UHFFFAOYSA-N;142.17;0.97;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNda_SNa";;;;;;;0.87;;-1.99;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM432321;MM432321;C=CC1CC(C)C(O)C1;KVWAPNQVEZLDHN-UHFFFAOYSA-N;126.2;1.58;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC2_SNda";;;;;;;2.83;;0.57;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM432322;MM432322;C=CCC1CCC(C#N)O1;XPBPIRKFCBTGKR-UHFFFAOYSA-N;137.18;1.63;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC5_SNa";;;;;;;1.64;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM432323;MM432323;C#CC(CC1CC1)NC=N;WZTBWLRFVLUVJK-UHFFFAOYSA-N;136.2;0.98;;;;;DOPC;MDCG;27;1;"MARTINI bead: P2_SC5";;;;;;;0.54;;-3.74;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM432324;MM432324;C=CCC#CC(C=C)OC;AMTKHDYKVHHPOB-UHFFFAOYSA-N;136.19;1.77;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_C5";;;;;;;1.64;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM432325;MM432325;C#CC1C(N)C1C(F)CO;YLOWSNIAWXOFQQ-UHFFFAOYSA-N;143.16;-0.48;;;;;DOPC;MDCG;27;1;"MARTINI bead: SP1_P2";;;;;;;-1.06;;-5.72;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM432326;MM432326;CC12CC(C1=O)C1C(F)C12;YPTWCUIBRRGZLW-UHFFFAOYSA-N;140.16;1.18;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNa_SNa";;;;;;;0.87;;-2.22;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM432327;MM432327;C#CC(CC1CN1)NC=N;YPGAMYFSNXDPMU-UHFFFAOYSA-N;137.19;-0.45;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1_SP2";;;;;;;-1.06;;-6.45;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM432328;MM432328;C=CC(C#CCC=O)OC;KVMBCBFNSUHZLU-UHFFFAOYSA-N;138.17;0.78;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_Na";;;;;;;0.87;;-2.22;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM432329;MM432329;C#CC1(CC)NC1CNC;UYYNJHUPGSXBNT-UHFFFAOYSA-N;138.21;-0.04;;;;;DOPC;MDCG;27;1;"MARTINI bead: SNd_P1";;;;;;;0.04;;-4.69;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM432330;MM432330;N#CCC1CCC(C=O)O1;UIJHAYBHEFMVPU-UHFFFAOYSA-N;139.15;0.65;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP1_SN0";;;;;;;0.34;;-1.53;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM432331;MM432331;COc1nnc(=N)oc1N;XLMYDORKNKRYFQ-UHFFFAOYSA-N;142.12;-0.86;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP3_SP3";;;;;;;-3.07;;-6.15;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM432332;MM432332;CC1CC(CCC#N)N1C;UKJQRSBTEGHPRI-UHFFFAOYSA-N;138.21;1.38;;;;;DOPC;MDCG;27;1;"MARTINI bead: SNd_SP1";;;;;;;0.04;;-3.68;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM432333;MM432333;C#CCC(C#C)CC1CC1;GDWODVWYRVQTSS-UHFFFAOYSA-N;132.21;2.06;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_SC5";;;;;;;2.41;;0.64;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM432334;MM432334;C#CC1(CC)NC1COC;BKGFAGFULLMFMO-UHFFFAOYSA-N;139.2;0.39;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNd_P1";;;;;;;0.04;;-2.63;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM432335;MM432335;C=CC(C#CCC#N)OC;WYHYNUCZQZSDNH-UHFFFAOYSA-N;135.17;1.1;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_N0";;;;;;;1.17;;-1.18;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM432336;MM432336;C=CCC1CCN(C=N)C1;ZABUAWVPOSWQPX-UHFFFAOYSA-N;138.21;1.49;;;;;DOPC;MDCG;27;1;"MARTINI bead: SC5_SP1";;;;;;;0.81;;-4.66;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM432337;MM432337;CC#CCC1CC(C)N1C;OMDRYTQDXUJMJG-UHFFFAOYSA-N;137.23;1.49;;;;;DOPC;MDCG;27;1;"MARTINI bead: SC5_SNd";;;;;;;1.64;;-1.51;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM432338;MM432338;C#CC1C(C(N)CN)N1C;UXUTUPODYJLCDB-UHFFFAOYSA-N;139.2;-1.41;;;;;DOPC;MDCG;27;1;"MARTINI bead: SP1_P4";;;;;;;-2.01;;-6.92;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM432339;MM432339;C#CCC(C#C)NC1CC1;DSLGDHFPJXLBTF-UHFFFAOYSA-N;133.19;0.76;;;;;DOPC;MDCG;27;1;"MARTINI bead: C5_SP1";;;;;;;0.81;;-1.73;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM432340;MM432340;C=CCC#CC(C=O)OC;GJMGMZKSHYDRAD-UHFFFAOYSA-N;138.17;0.78;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_C5";;;;;;;0.81;;-0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM432341;MM432341;C#CC1(CN)NC1COC;WKKLJLUOZAWGHW-UHFFFAOYSA-N;140.19;-1.06;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1_SP2";;;;;;;-1.06;;-5.42;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM432342;MM432342;N=CN1CCC(CC=O)C1;RAJPTTMKNXACGT-UHFFFAOYSA-N;140.19;0.5;;;;;DOPC;MDCG;27;1;"MARTINI bead: SP1_SNa";;;;;;;0.04;;-6.7;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM432343;MM432343;C#CC1C(C(O)CN)N1C;TZSWLECCJXSPSD-UHFFFAOYSA-N;140.19;-1.38;;;;;DOPC;MDCG;27;1;"MARTINI bead: SP1_P3";;;;;;;-1.93;;-6.54;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM432344;MM432344;CCc1[nH]c(C)c(N)c1N;SKMCFLHNJKYYDG-UHFFFAOYSA-N;139.2;1.05;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC5_SP1";;;;;;;0.81;;-0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM432345;MM432345;CC=CC(CC)NC1CC1;MXKPMXNNDAXVBC-UHFFFAOYSA-N;139.24;2.09;;;;;DOPC;MDCG;27;1;"MARTINI bead: C1_SP1";;;;;;;2.08;;-0.69;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM432346;MM432346;Cc1nc(=NN)on1N;WTFCEZYWBJXDHH-UHFFFAOYSA-N;129.12;-1.73;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNa_SP3";;;;;;;-1.1;;-4.2;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM432347;MM432347;C=CCC#CC(C#N)OC;HFZRZXKJQDHXNH-UHFFFAOYSA-N;135.17;1.1;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_C5";;;;;;;0.81;;-0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM432348;MM432348;N#CCC1CCN(C=N)C1;GLNVTXGUSFXKDG-UHFFFAOYSA-N;137.19;0.83;;;;;DOPC;MDCG;27;1;"MARTINI bead: SP1_SP1";;;;;;;-0.79;;-7.3;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM432349;MM432349;C=C(OC=CC#N)C(=O)O;GJHSVWBRBXPULA-UHFFFAOYSA-N;139.11;0.64;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_C5";;;;;;;0.81;;-5.87;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM432350;MM432350;C=CC1NC1C(=N)NN=C;YGQWPSQZABIBIJ-UHFFFAOYSA-N;138.17;-0.3;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP1_P2";;;;;;;-1.06;;-3.82;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM432351;MM432351;CC=CC(CN)NC1CC1;AFGAKZMXDAZLOP-UHFFFAOYSA-N;140.23;0.64;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1_SC5";;;;;;;0.81;;-2.63;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM432352;MM432352;COC(C#CCC=O)C=O;XVNAVNZGDGVJHK-UHFFFAOYSA-N;140.14;-0.21;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_Na";;;;;;;0.87;;-2.22;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM432353;MM432353;N#CCC1CCN(C=O)C1;UZQNKLDWXPNGGL-UHFFFAOYSA-N;138.17;0.38;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP1_SP1";;;;;;;-0.79;;-3.13;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM432354;MM432354;C#CC1(CF)NC1COC;KCGUXZVEBVZIKP-UHFFFAOYSA-N;143.16;-0.05;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_SP2";;;;;;;-1.06;;-3.82;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM432355;MM432355;C=NN=c1oc(O)c(F)o1;SVIYAPNYHNPKET-UHFFFAOYSA-N;146.08;0.23;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP2_P2";;;;;;;-1.34;;-9.46;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM432356;MM432356;C#CC=NNC(=N)C1CN1;MPAOEPNQCUQKQW-UHFFFAOYSA-N;136.16;-0.86;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nd_SP2";;;;;;;-0.24;;-3.16;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM432357;MM432357;COC(C#CCC#N)C=O;IWGKXOOFPDRPCA-UHFFFAOYSA-N;137.14;0.12;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_N0";;;;;;;0.34;;-1.53;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM432358;MM432358;CC=CC(CC)OC1CC1;RODZTINUIDQCAQ-UHFFFAOYSA-N;140.23;2.52;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1_SP1";;;;;;;2.08;;0.48;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM432359;MM432359;C#CC1(CC)OC1CCC;STVVPMGUSYCTEO-UHFFFAOYSA-N;138.21;1.97;;;;;DOPC;MDCG;27;0;"MARTINI bead: C3_SNa";;;;;;;2.57;;0.45;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM432360;MM432360;C=NNC1CCN(C=N)C1;HTJLOXQNFFDHKX-UHFFFAOYSA-N;140.19;-0.13;;;;;DOPC;MDCG;27;1;"MARTINI bead: SP1_SP1";;;;;;;-0.79;;-6.97;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM432361;MM432361;CCn1ocnc(=N)c1=N;PEOCRODTOGBVHH-UHFFFAOYSA-N;140.15;-0.55;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP3_SP2";;;;;;;-2.2;;-5.19;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM432362;MM432362;C#CC1C(C(F)CN)N1C;NHFKQRQCSMWSFU-UHFFFAOYSA-N;142.18;-0.4;;;;;DOPC;MDCG;27;1;"MARTINI bead: SP1_P2";;;;;;;-1.06;;-4.98;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM432363;MM432363;C#CC1(CC)OC1CCN;DERSVKJFGFBFNY-UHFFFAOYSA-N;139.2;0.52;;;;;DOPC;MDCG;27;1;"MARTINI bead: SNa_P1";;;;;;;0.04;;-5.24;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM432364;MM432364;CC=CC(CN)CC1CN1;KMHFBECQDDKBFU-UHFFFAOYSA-N;140.23;0.5;;;;;DOPC;MDCG;27;1;"MARTINI bead: C5_SP1";;;;;;;0.81;;-3.25;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM432365;MM432365;C#CCC#CC(C=C)CC;JBURQFOYBYYKPJ-UHFFFAOYSA-N;132.21;2.23;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1_N0";;;;;;;3.21;;0.46;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM432366;MM432366;N#CCC1CNN(C=N)C1;UUKBLOYERYEQSU-UHFFFAOYSA-N;138.17;-0.06;;;;;DOPC;MDCG;27;1;"MARTINI bead: SP3_SP2";;;;;;;-2.2;;-7.59;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM432367;MM432367;CCn1ocnc(=N)c1=O;VZTOTYGQBZQWQQ-UHFFFAOYSA-N;141.13;-0.66;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP3_SP2";;;;;;;-2.2;;-5.19;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM432368;MM432368;CCC1C=CC(=NN)CC1;YRJGGCKHPABXQZ-UHFFFAOYSA-N;138.21;1.68;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC1_SNd";;;;;;;2.91;;0.63;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM432369;MM432369;C#CCC#CC(C=O)CC;XWUFSDYREMSJLY-UHFFFAOYSA-N;134.18;1.24;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_N0";;;;;;;1.94;;0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM432370;MM432370;C#CC1(CC)OC1CCO;MTXGGHAPJSRKFF-UHFFFAOYSA-N;140.18;0.55;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNa_P1";;;;;;;0.04;;-2.54;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM432371;MM432371;CC=CC(CC)CC1CO1;IDYYPOPKGAZAHL-UHFFFAOYSA-N;140.23;2.38;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1_SNa";;;;;;;2.91;;0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM432372;MM432372;C=CCC1CNN(C=O)C1;RQAUTPHAMOHUNF-UHFFFAOYSA-N;140.19;0.16;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP1_SP2";;;;;;;-1.06;;-3.82;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM432373;MM432373;CCn1ocnc(=O)c1=O;BYGKFPBKOILADG-UHFFFAOYSA-N;142.11;-0.78;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP3_SP1";;;;;;;-1.93;;-4.72;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM432374;MM432374;C#CCC#CC(C#N)CC;BANJAIWIHQPNQO-UHFFFAOYSA-N;131.18;1.56;;;;;DOPC;MDCG;27;0;"MARTINI bead: N0_N0";;;;;;;1.47;;-0.05;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM432375;MM432375;C#CC1C(C(C)OC)N1C;RPDVJDLBMVKYJM-UHFFFAOYSA-N;139.2;0.34;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_SP1";;;;;;;0.04;;-2.54;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM432376;MM432376;C#CC1(CC)OC1CCF;GOZYMEJQAMPNFK-UHFFFAOYSA-N;142.17;1.53;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNa_C5";;;;;;;1.64;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM432377;MM432377;CC=CC(CN1CC1)NC;CVMUHSWMLVYKLR-UHFFFAOYSA-N;140.23;0.47;;;;;DOPC;MDCG;27;1;"MARTINI bead: C5_SP1";;;;;;;0.81;;-2.43;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM432378;MM432378;N=CNC1CNN(C=N)C1;KNBPKGVNNGOXFZ-UHFFFAOYSA-N;141.18;-1.02;;;;;DOPC;MDCG;27;1;"MARTINI bead: SP5_SP3";;;;;;;-3.08;;-10.18;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM432379;MM432379;CNn1ocnc(=N)c1=N;PMOKVTFYGSUPAO-UHFFFAOYSA-N;141.13;-1.39;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP3_SP3";;;;;;;-3.07;;-6.15;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM432380;MM432380;C#CC1C(C)C1C(C)C=C;CIWCHVFMXRKUMW-UHFFFAOYSA-N;134.22;2.32;;;;;DOPC;MDCG;27;0;"MARTINI bead: C3_SC5";;;;;;;3.34;;0.48;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM432381;MM432381;C#CCC#CC(C=C)CN;YJXRRISPXHWUJO-UHFFFAOYSA-N;133.19;0.77;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_N0";;;;;;;1.17;;-3.43;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM432382;MM432382;CC=CC(C#N)CC1CO1;MUVJCKIJBBYLGK-UHFFFAOYSA-N;137.18;1.49;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_SNa";;;;;;;1.64;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM432383;MM432383;C#CC1(CN)OC1CCO;WOSPZVAHQCHROE-UHFFFAOYSA-N;141.17;-0.9;;;;;DOPC;MDCG;27;1;"MARTINI bead: SP2_P1";;;;;;;-1.06;;-5.47;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM432384;MM432384;C=COC1CNN(C=N)C1;PWQIIGFPAKVLIL-UHFFFAOYSA-N;141.17;-0.06;;;;;DOPC;MDCG;27;1;"MARTINI bead: SP2_SP3";;;;;;;-2.2;;-7.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM432385;MM432385;CNn1ocnc(=N)c1=O;SKMBMYCMJUAPRV-UHFFFAOYSA-N;142.12;-1.51;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP3_SP3";;;;;;;-3.07;;-6.15;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM432386;MM432386;C#CCC#CC(C=C)CO;SDQCJHKOBVKSGL-UHFFFAOYSA-N;134.18;0.81;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda_N0";;;;;;;1.17;;-1.13;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM432387;MM432387;C#CC1C(C)C1C(N)C=C;LOXHGSNZEHDJCZ-UHFFFAOYSA-N;135.21;1.02;;;;;DOPC;MDCG;27;1;"MARTINI bead: SC5_P1";;;;;;;0.81;;-2.96;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM432388;MM432388;C#CC(C=CC)CC1CC1;IQGMXTMLYDOAMZ-UHFFFAOYSA-N;134.22;2.61;;;;;DOPC;MDCG;27;0;"MARTINI bead: C3_SC5";;;;;;;3.34;;0.48;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM432389;MM432389;C#CC1(CN)OC1CCF;LFLHRTARTBXILU-UHFFFAOYSA-N;143.16;0.08;;;;;DOPC;MDCG;27;1;"MARTINI bead: SP2_C5";;;;;;;0.54;;-2.73;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM432390;MM432390;N=CNC1CON(C=N)C1;YLNKEQVMSJZUHO-UHFFFAOYSA-N;142.16;-0.59;;;;;DOPC;MDCG;27;1;"MARTINI bead: SP3_SP1";;;;;;;-1.93;;-7.87;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM432391;MM432391;CNn1ocnc(=O)c1=O;CBKNHNPPAMCQQJ-UHFFFAOYSA-N;143.1;-1.63;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP3_SP3";;;;;;;-3.07;;-6.15;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM432392;MM432392;C#CC1C(N)C1C(O)C=C;HDKBGSKEHHPXJT-UHFFFAOYSA-N;137.18;-0.26;;;;;DOPC;MDCG;27;1;"MARTINI bead: SP1_Nda";;;;;;;0.04;;-4.63;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM432393;MM432393;C#CCC#CC(C=O)CO;ARNLEHNNEZFLTE-UHFFFAOYSA-N;136.15;-0.18;;;;;DOPC;MDCG;27;0;"MARTINI bead: P3_C4";;;;;;;0.23;;-1.03;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM432394;MM432394;C#CC(C=CC)CC1CO1;JOFRKRQHJBUBFS-UHFFFAOYSA-N;136.19;1.6;;;;;DOPC;MDCG;27;0;"MARTINI bead: C3_SNa";;;;;;;2.57;;0.45;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM432395;MM432395;N=CNC1CON(C=O)C1;LGCDGMBCOXCBIV-UHFFFAOYSA-N;143.15;-1.04;;;;;DOPC;MDCG;27;1;"MARTINI bead: SP3_SP2";;;;;;;-2.2;;-8.35;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM432396;MM432396;C#CC1(CO)OC1CCC;HJAMWNMAKZKZBC-UHFFFAOYSA-N;140.18;0.55;;;;;DOPC;MDCG;27;0;"MARTINI bead: C3_SP2";;;;;;;1.46;;-0.15;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM432397;MM432397;COn1ocnc(=N)c1=N;SHTQDHHLEIUXSJ-UHFFFAOYSA-N;142.12;-1.51;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP3_SP2";;;;;;;-2.2;;-5.19;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM432398;MM432398;C#CC1C(N)C1C(F)C=C;WRFYUDQPUYGRQO-UHFFFAOYSA-N;139.17;0.72;;;;;DOPC;MDCG;27;1;"MARTINI bead: SP1_Na";;;;;;;0.04;;-4.73;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM432399;MM432399;CC#CC(CC)CC1CC1;NNEXVYZNDOGEAR-UHFFFAOYSA-N;136.24;2.84;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1_SC5";;;;;;;3.68;;0.46;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM432400;MM432400;C#CCC#CC(C#N)CO;NAXJOJLGNQEHQW-UHFFFAOYSA-N;133.15;0.15;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_C5";;;;;;;0.54;;-1.09;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM432401;MM432401;C=NNC1CON(C=O)C1;AYKGFDBBBRIKJI-UHFFFAOYSA-N;143.15;-1.04;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP2_SP2";;;;;;;-1.34;;-4.31;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM432402;MM432402;C#CC1(CF)OC1CCC;IFJRZKNBJGCWKC-UHFFFAOYSA-N;142.17;1.53;;;;;DOPC;MDCG;27;0;"MARTINI bead: C3_SNa";;;;;;;2.57;;0.45;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM432403;MM432403;COn1ocnc(=N)c1=O;GWJLWSFKSIVTKB-UHFFFAOYSA-N;143.1;-1.63;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP3_SP2";;;;;;;-2.2;;-5.19;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM432404;MM432404;C#CC1C(C(C)C=C)N1C;QFLGYGWVNWOWQL-UHFFFAOYSA-N;135.21;1.12;;;;;DOPC;MDCG;27;0;"MARTINI bead: C3_SP1";;;;;;;1.74;;0.29;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM432405;MM432405;C#CCC#CC(C=C)CF;HSRYAIIIDLPJOL-UHFFFAOYSA-N;136.17;1.78;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_N0";;;;;;;1.94;;0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM432406;MM432406;CC#CC(CC)NC1CC1;DOGHEMQKJCOEAX-UHFFFAOYSA-N;137.23;1.54;;;;;DOPC;MDCG;27;1;"MARTINI bead: C1_SP1";;;;;;;2.08;;-0.18;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM432407;MM432407;C=CCC1CCN(C=N)N1;LSSUEGHMMDVGLS-UHFFFAOYSA-N;139.2;0.75;;;;;DOPC;MDCG;27;1;"MARTINI bead: SP1_SP3";;;;;;;-1.93;;-7.17;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM432408;MM432408;C#CC1(CC)OC1CNC;DUZJEBLZOOKTJU-UHFFFAOYSA-N;139.2;0.39;;;;;DOPC;MDCG;27;1;"MARTINI bead: SNa_P1";;;;;;;0.04;;-4.68;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM432409;MM432409;COn1ocnc(=O)c1=O;XGZWBRPOZOVGTQ-UHFFFAOYSA-N;144.09;-1.75;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP3_SP2";;;;;;;-2.2;;-5.19;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM432410;MM432410;NC1=C(F)C(=O)C=N1;BTWSYQSYFPEURF-UHFFFAOYSA-N;114.08;-0.26;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNda_SNa";;;;;;;0.87;;-1.99;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM432411;MM432411;C#CCC#CC(C#N)CF;AXNFVOPWDCCAQV-UHFFFAOYSA-N;135.14;1.12;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_N0";;;;;;;1.17;;-1.18;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM432412;MM432412;CC#CC(CC)OC1CC1;GXKHUPFUSYFKEZ-UHFFFAOYSA-N;138.21;1.97;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1_SP1";;;;;;;2.08;;0.48;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM432413;MM432413;N=CN1CCC(CC=O)N1;JJYAUVNITLXKHQ-UHFFFAOYSA-N;141.17;-0.24;;;;;DOPC;MDCG;27;1;"MARTINI bead: SP3_SP2";;;;;;;-2.2;;-7.65;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM432414;MM432414;C#CC1(CC)OC1COC;SYEZRDFWVXHIHZ-UHFFFAOYSA-N;140.18;0.81;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNa_P1";;;;;;;0.04;;-2.54;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM432415;MM432415;C=Cn1ocnc(=N)c1=N;HPNCIQMHQUFBEF-UHFFFAOYSA-N;138.13;-0.46;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP3_SP2";;;;;;;-2.2;;-5.19;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM432416;MM432416;C#CC1C(C(N)C=C)N1C;QXPNQHNFCTUJOC-UHFFFAOYSA-N;136.2;-0.18;;;;;DOPC;MDCG;27;1;"MARTINI bead: SP1_P1";;;;;;;-0.79;;-4.75;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM432417;MM432417;C#CCC#CC(C=C)NC;REEVZVGMDHHMPW-UHFFFAOYSA-N;133.19;0.79;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_N0";;;;;;;1.17;;-2.13;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM432418;MM432418;CC#CC(CN)OC1CC1;RDENACLUPLKRLI-UHFFFAOYSA-N;139.2;0.52;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_SP1";;;;;;;0.04;;-4.3;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM432419;MM432419;N#CCC1CCN(C=N)N1;DDCTXGJQKVYNGV-UHFFFAOYSA-N;138.17;0.09;;;;;DOPC;MDCG;27;1;"MARTINI bead: SP3_SP2";;;;;;;-2.2;;-7.65;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM432420;MM432420;C#CC1(CN)OC1COC;UBADKEORFZNQRV-UHFFFAOYSA-N;141.17;-0.64;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1_SP2";;;;;;;-1.06;;-5.46;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM432421;MM432421;C=NNC(=N)C1CN1;NNZWPCCHCRTGAG-UHFFFAOYSA-N;112.14;-0.86;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_SP2";;;;;;;-1.34;;-4.31;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM432422;MM432422;N=Cn1ocnc(=N)c1=N;LEKAQLSETYFKCZ-UHFFFAOYSA-N;139.12;-1.11;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP3_SP2";;;;;;;-2.2;;-5.19;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM432423;MM432423;C#CCC#CC(C=C)OC;QWRVOFHBZHWGSA-UHFFFAOYSA-N;134.18;1.21;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_N0";;;;;;;1.17;;-1.18;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM432424;MM432424;CC#CC(CC1CN1)NC;GEFKZHBMPOVUKJ-UHFFFAOYSA-N;138.21;-0.04;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_SP1";;;;;;;0.04;;-4.25;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM432425;MM432425;N#CCC1CCN(C=O)N1;YFPCKYHSXAGQBK-UHFFFAOYSA-N;139.16;-0.36;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP2_SP2";;;;;;;-1.34;;-4.31;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM432426;MM432426;C#CC1(CO)OC1COC;GRDWFSVBRJEJOQ-UHFFFAOYSA-N;142.15;-0.6;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_SP2";;;;;;;-1.06;;-3.82;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM432427;MM432427;C#CC1C(C)N1N(C)C=O;DTGYNQVZPGMUPF-UHFFFAOYSA-N;138.17;-0.3;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP2_P4";;;;;;;-2.29;;-5.95;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM432428;MM432428;N=c1ncon(C=O)c1=N;SIFBDSNTICNYHV-UHFFFAOYSA-N;140.1;-1.53;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP3_SP3";;;;;;;-3.07;;-6.15;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM432429;MM432429;C#CCC#CC(C=O)OC;CLUAXTMNXMTAQB-UHFFFAOYSA-N;136.15;0.23;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_C4";;;;;;;1.09;;-0.38;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM432430;MM432430;CC#CC(CC)CC1CO1;CHENFJPFSJAKIV-UHFFFAOYSA-N;138.21;1.82;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1_SNa";;;;;;;2.91;;0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM432431;MM432431;C#CC(O)C1C(N)C1C#C;YXXNKNKDRUTTFO-UHFFFAOYSA-N;135.17;-0.81;;;;;DOPC;MDCG;27;1;"MARTINI bead: SP1_P2";;;;;;;-1.06;;-5.71;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM432432;MM432432;C=CC1CCN(CC#N)C1;PWNBHJMABAQYPJ-UHFFFAOYSA-N;136.2;1.02;;;;;DOPC;MDCG;27;0;"MARTINI bead: SN0_SNd";;;;;;;1.17;;-1.04;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM432433;MM432433;C#CC1(CC)CN1CCC;ZZKFSMUTQKCULE-UHFFFAOYSA-N;137.23;1.49;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nd_SN0";;;;;;;1.17;;-1.04;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM432434;MM432434;C=Cn1ocnc(=N)c1=O;OQBJHCQYEPWEQL-UHFFFAOYSA-N;139.11;-0.58;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP3_SP2";;;;;;;-2.2;;-5.19;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM432435;MM432435;C#CCC#CC(C#N)OC;JDLVUYJVPNVXQU-UHFFFAOYSA-N;133.15;0.55;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_C5";;;;;;;1.64;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM432436;MM432436;CC#CC(CN)CC1CO1;IMLRSCNYZJIGJP-UHFFFAOYSA-N;139.2;0.37;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_SNa";;;;;;;0.87;;-4.34;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM432437;MM432437;C#CC(F)C1C(N)C1C#C;NCLXSEZOEVZMOU-UHFFFAOYSA-N;137.16;0.16;;;;;DOPC;MDCG;27;1;"MARTINI bead: SP1_Na";;;;;;;0.04;;-4.71;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM432438;MM432438;C=CCN1CCC(C=O)C1;QUCZPFYMPGEIPR-UHFFFAOYSA-N;139.2;0.69;;;;;DOPC;MDCG;27;1;"MARTINI bead: SNd_SP2";;;;;;;-0.24;;-4.3;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM432439;MM432439;C#CC(C#CCCC)CC;QWBZYLYBMUNZRV-UHFFFAOYSA-N;134.22;2.45;;;;;DOPC;MDCG;27;0;"MARTINI bead: C3_C3";;;;;;;4.27;;0.2;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM432440;MM432440;N=Cn1ocnc(=N)c1=O;OLNWGGWTNSSVOO-UHFFFAOYSA-N;140.1;-1.23;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP3_SP3";;;;;;;-3.07;;-6.15;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM432441;MM432441;C#CC1(CC)CN1CCN;QEGDFRRCWDMVHC-UHFFFAOYSA-N;138.21;0.04;;;;;DOPC;MDCG;27;1;"MARTINI bead: SN0_P4";;;;;;;-0.88;;-5.65;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM432442;MM432442;C#CC(O)C1C(O)C1C#C;JZEUEQRVRVECEA-UHFFFAOYSA-N;136.15;-0.78;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_SP1";;;;;;;-1.06;;-3.82;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM432443;MM432443;CC#CC(CO)CC1CO1;AWQJKDVNHGYMED-UHFFFAOYSA-N;140.18;0.41;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda_SNa";;;;;;;0.87;;-1.99;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM432444;MM432444;N#CCN1CCC(C#N)C1;IHGZNQXPNOVCFE-UHFFFAOYSA-N;135.17;0.36;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNd_SP1";;;;;;;0.04;;-2.63;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM432445;MM432445;C#CC(C#CCCF)CC;YZUVVJQCYRHDQY-UHFFFAOYSA-N;138.19;2.01;;;;;DOPC;MDCG;27;0;"MARTINI bead: C3_Na";;;;;;;2.57;;0.45;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM432446;MM432446;N=c1ncon(C=O)c1=O;JRZRSRNDCKLRCL-UHFFFAOYSA-N;141.09;-1.65;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP3_SP3";;;;;;;-3.07;;-6.15;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM432447;MM432447;Cc1nc(=O)onc1N;CGKLBMOUTCMTCA-UHFFFAOYSA-N;127.1;-0.68;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP2_SP3";;;;;;;-2.2;;-5.19;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM432448;MM432448;CC#CC(CN)CN1CC1;FSSZNTMSSKDPGD-UHFFFAOYSA-N;138.21;-0.1;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_SP1";;;;;;;0.04;;-4.76;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM432449;MM432449;C#CC(C)C1C(C#C)N1C;YLNOFOZQNOLHSW-UHFFFAOYSA-N;133.19;0.57;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_SP1";;;;;;;0.81;;-0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM432450;MM432450;C=Cn1ocnc(=O)c1=O;DQVWIBIASBULHR-UHFFFAOYSA-N;140.1;-0.7;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP3_SP2";;;;;;;-2.2;;-5.19;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM432451;MM432451;C#CC(C#CCCC)CN;IGHYPOMAASJBBD-UHFFFAOYSA-N;135.21;1;;;;;DOPC;MDCG;27;1;"MARTINI bead: C3_Nd";;;;;;;2.57;;-0.81;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM432452;MM432452;C#CCC1CCC(C=C)C1;QUFGFHVWPUCXGM-UHFFFAOYSA-N;134.22;2.61;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC2_SC2";;;;;;;4.78;;0.59;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM432453;MM432453;C#CC1(CC)CN1CCF;SSUBZSPKQPWKOH-UHFFFAOYSA-N;141.19;1.05;;;;;DOPC;MDCG;27;0;"MARTINI bead: SN0_P2";;;;;;;0.06;;-2.21;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM432454;MM432454;CC12CC1CC(=NN)O2;BBJZFNXNHHWUDI-UHFFFAOYSA-N;126.16;0.46;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC5_SNda";;;;;;;1.64;;0.05;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM432455;MM432455;C#CC(F)C1C(C#C)N1C;OOBWPSCPFJASRX-UHFFFAOYSA-N;137.16;0.27;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP1_Na";;;;;;;0.04;;-2.54;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM432456;MM432456;C#CCC1CCC(C=O)C1;URCSYLNNHKQWCX-UHFFFAOYSA-N;136.19;1.62;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNa_SC2";;;;;;;2.83;;0.35;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM432457;MM432457;N=Cn1ocnc(=O)c1=O;MFPUBNRNTLKECA-UHFFFAOYSA-N;141.09;-1.35;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP3_SP3";;;;;;;-3.07;;-6.15;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM432458;MM432458;C#CC(C#CCCF)CN;WSPCNIUQZYNXLD-UHFFFAOYSA-N;139.17;0.56;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_Na";;;;;;;0.87;;-3.95;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM432459;MM432459;C#CC1(CN)CN1CCC;WUYKFLYRQOTEFW-UHFFFAOYSA-N;138.21;0.04;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_SP2";;;;;;;-0.24;;-4.76;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM432460;MM432460;CC#CC(C=O)CC1CC1;DFJVIUBNZRGKFK-UHFFFAOYSA-N;136.19;1.62;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_SC5";;;;;;;2.41;;0.64;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM432461;MM432461;C#CC(C#CCCC)CO;FSEUIPXJUYCAAA-UHFFFAOYSA-N;136.19;1.03;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1_P3";;;;;;;0.94;;0.03;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM432462;MM432462;C=C(CN)C1C(C)C1CC;SSBXIZXWYNJLJV-UHFFFAOYSA-N;139.24;1.79;;;;;DOPC;MDCG;27;1;"MARTINI bead: SC3_Nd";;;;;;;2.57;;-0.97;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM432463;MM432463;C#CCC1CCC(C#N)C1;MWNRGKAUFABXLE-UHFFFAOYSA-N;133.19;1.95;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC2_SC5";;;;;;;3.6;;0.34;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM432464;MM432464;O=Cn1ocnc(=O)c1=O;YLYOABUUTOGUGA-UHFFFAOYSA-N;142.07;-1.77;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP3_SP2";;;;;;;-2.2;;-5.19;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM432465;MM432465;C#CC1(CN)CN1CCN;NNDOBERAUPFLCT-UHFFFAOYSA-N;139.2;-1.41;;;;;DOPC;MDCG;27;1;"MARTINI bead: P4_SP2";;;;;;;-2.29;;-8;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM432466;MM432466;C#CC(C#CCCF)CO;NPFSUFQQMGWDEL-UHFFFAOYSA-N;140.16;0.59;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda_Na";;;;;;;0.87;;-1.99;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM432467;MM432467;C=C(CF)C1C(C)C1CC;QKVKFTZNKHXQGI-UHFFFAOYSA-N;142.22;2.8;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC3_C4";;;;;;;3.9;;0.47;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM432468;MM432468;CC#CC(C#N)CC1CC1;LQAPJASRSIWXBE-UHFFFAOYSA-N;133.19;1.95;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_SC5";;;;;;;2.41;;0.64;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM432469;MM432469;C=Nn1ocnc(=N)c1=N;ZOOWORJMXYZYNI-UHFFFAOYSA-N;139.12;-1.1;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP3_SP2";;;;;;;-2.2;;-5.19;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM432470;MM432470;C#CCC1CNC(C=C)C1;FCKAZSARXRNTPX-UHFFFAOYSA-N;135.21;1.17;;;;;DOPC;MDCG;27;1;"MARTINI bead: SNd_SN0";;;;;;;1.17;;-4.43;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM432471;MM432471;C#CC1(CN)CN1CCO;SUAVNKJGAMLLRC-UHFFFAOYSA-N;140.19;-1.38;;;;;DOPC;MDCG;27;1;"MARTINI bead: SP2_P3";;;;;;;-2.2;;-6.79;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM432472;MM432472;C#CC(C#CCCC)CF;XPRXSGGRPWLFKZ-UHFFFAOYSA-N;138.19;2.01;;;;;DOPC;MDCG;27;0;"MARTINI bead: C3_Na";;;;;;;2.57;;0.45;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM432473;MM432473;C=CC(C#CC)CC1CO1;RZLUWVKCLIAEPG-UHFFFAOYSA-N;136.19;1.6;;;;;DOPC;MDCG;27;0;"MARTINI bead: C3_SNa";;;;;;;2.57;;0.45;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM432474;MM432474;C=C(CO)C1C(C)C1CF;HGWNFZHIFXIDEV-UHFFFAOYSA-N;144.19;1.39;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC5_Nda";;;;;;;1.64;;0.05;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM432475;MM432475;C=Nn1ocnc(=N)c1=O;MJCOLWKDJNZZBK-UHFFFAOYSA-N;140.1;-1.22;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP3_SP2";;;;;;;-2.2;;-5.19;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM432476;MM432476;C#CCC1CNC(C=O)C1;VJTQOCZJKPXIMH-UHFFFAOYSA-N;137.18;0.19;;;;;DOPC;MDCG;27;1;"MARTINI bead: SP1_SN0";;;;;;;0.34;;-3.67;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM432477;MM432477;C=C(OC)C1C(C)C1CC;UPNPUZFSRNPERH-UHFFFAOYSA-N;140.23;2.44;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC3_C5";;;;;;;3.34;;0.48;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM432478;MM432478;C#CC1(CN)CN1CCF;AFAOZQBZCCHYSS-UHFFFAOYSA-N;142.18;-0.4;;;;;DOPC;MDCG;27;1;"MARTINI bead: SP2_P2";;;;;;;-1.34;;-5.91;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM432479;MM432479;C#CC(C#CCCN)CF;SCTQBELXJXHFHM-UHFFFAOYSA-N;139.17;0.56;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_Na";;;;;;;0.87;;-4.32;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM432480;MM432480;CC#CC(C#N)CC1CO1;UXQAADDALPDKQO-UHFFFAOYSA-N;135.17;0.94;;;;;DOPC;MDCG;27;0;"MARTINI bead: N0_SNa";;;;;;;1.17;;-1.18;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM432481;MM432481;C#CCC1COC(C=C)C1;FJIPCBYBJWTHAM-UHFFFAOYSA-N;136.19;1.6;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNa_SC5";;;;;;;1.64;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM432482;MM432482;C=Nn1ocnc(=O)c1=O;ZMMCZTCMJFFFFG-UHFFFAOYSA-N;141.09;-1.34;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP3_SP2";;;;;;;-2.2;;-5.19;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM432483;MM432483;C#CC(C#CCCO)CF;ALQRHAYFNLIMBU-UHFFFAOYSA-N;140.16;0.59;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda_Na";;;;;;;0.87;;-1.99;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM432484;MM432484;CCC1C(C)C1C(=O)OC;CVKWZSJXSXRTAE-UHFFFAOYSA-N;142.2;1.45;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC3_Na";;;;;;;2.57;;0.45;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM432485;MM432485;CC1C(C2CC2)C1(C)O;YLPDSYUGRRBSQL-UHFFFAOYSA-N;126.2;1.41;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC5_SNda";;;;;;;1.64;;0.05;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM432486;MM432486;C#CCC1COC(C#N)C1;YJVJYGUZVIMTMM-UHFFFAOYSA-N;135.17;0.94;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC5_SNa";;;;;;;1.64;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM432487;MM432487;N=C(N)C(=O)C1CC1F;FVYNHDHWRVSLCM-UHFFFAOYSA-N;130.12;-0.15;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_SNa";;;;;;;-0.24;;-3.24;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM432488;MM432488;Cn1c(=O)nc[nH]c1=NN;ZCVLINAUZHRULK-UHFFFAOYSA-N;141.13;-2.12;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP4_SP2";;;;;;;-2.29;;-5.95;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM432489;MM432489;C#CC(C#CCCF)CF;XJUCIUHFSWJXAU-UHFFFAOYSA-N;142.15;1.57;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_Na";;;;;;;0.87;;-2.22;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM432491;MM432491;C=C(CO)C1C(O)C1NC;WDISYDXADIICKU-UHFFFAOYSA-N;143.19;-0.89;;;;;DOPC;MDCG;27;1;"MARTINI bead: SP2_Nda";;;;;;;-0.24;;-5;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM432490;MM432490;CC1(O)CC1(C)C1CC1;PQTGBAGNVHOJER-UHFFFAOYSA-N;126.2;1.56;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNda_SC5";;;;;;;1.64;;0.05;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM432492;MM432492;C#CCC1CC(C=O)CN1;RCRALKBQFREZHQ-UHFFFAOYSA-N;137.18;0.19;;;;;DOPC;MDCG;27;1;"MARTINI bead: SP2_SNd";;;;;;;-0.24;;-6.12;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM432493;MM432493;C#CC(C#CC)CC1CC1;ULWZHLUWQCEKEV-UHFFFAOYSA-N;132.21;2.06;;;;;DOPC;MDCG;27;0;"MARTINI bead: C2_SC5";;;;;;;3.6;;0.34;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM432494;MM432494;CN=c1oncc(=N)n1C;KPSDDDILSVFMLW-UHFFFAOYSA-N;140.15;-0.98;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP1_SP3";;;;;;;-1.93;;-4.72;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM432495;MM432495;C=C(CN)C1C(CC)N1C;SLCRSPOTLVHGII-UHFFFAOYSA-N;140.23;0.59;;;;;DOPC;MDCG;27;1;"MARTINI bead: SNd_P1";;;;;;;0.04;;-4.54;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM432496;MM432496;C#CC(C#CCNC)CC;KGTOBYUKYBRKOJ-UHFFFAOYSA-N;135.21;0.87;;;;;DOPC;MDCG;27;1;"MARTINI bead: C3_P2";;;;;;;1.46;;-1.72;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM432497;MM432497;C#CCC1CC(C=C)CO1;LVODMNSZAVROIN-UHFFFAOYSA-N;136.19;1.6;;;;;DOPC;MDCG;27;0;"MARTINI bead: SN0_SC5";;;;;;;1.94;;0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM432498;MM432498;C#CC(C#CC)CC1CO1;JFFXTPHXGZXYFF-UHFFFAOYSA-N;134.18;1.05;;;;;DOPC;MDCG;27;0;"MARTINI bead: C3_SNa";;;;;;;2.57;;0.45;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM432499;MM432499;C#CC1(CF)CN1CCC;AOXFYJHHUKNJQP-UHFFFAOYSA-N;141.19;1.05;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nd_SP2";;;;;;;-0.24;;-3.16;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM432500;MM432500;CN(C=O)NC(=N)C#N;VSDMFTNKLZMDGW-UHFFFAOYSA-N;126.12;-0.92;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_P2";;;;;;;-1.34;;-4.31;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM432501;MM432501;N#Cc1oc(=N)nnc1N;XKBTWWOTRJXWEN-UHFFFAOYSA-N;137.1;-1;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP2_SP3";;;;;;;-2.2;;-5.19;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM432502;MM432502;C#CC(C#CCNC)CN;DBLXKAYGORFJDV-UHFFFAOYSA-N;136.2;-0.58;;;;;DOPC;MDCG;27;1;"MARTINI bead: P2_Nd";;;;;;;-0.24;;-5.37;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM432503;MM432503;C#CCC1CCC(C=O)N1;MQNOKLDVHRIJTE-UHFFFAOYSA-N;137.18;0.33;;;;;DOPC;MDCG;27;1;"MARTINI bead: SP1_SN0";;;;;;;0.34;;-3.28;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM432504;MM432504;C#CC1(CC)CC1CC=C;MIOPWXNJNFTUGF-UHFFFAOYSA-N;134.22;2.61;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC4_C4";;;;;;;3.53;;0.53;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM432505;MM432505;CC=C(CCC)CC1CC1;RDLDQOZDKRLWKX-UHFFFAOYSA-N;138.25;3.53;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1_SC5";;;;;;;3.68;;0.46;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM432506;MM432506;C=C(CF)C1C(CC)N1C;XUDRPQJVUKDIJJ-UHFFFAOYSA-N;143.21;1.6;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNd_Na";;;;;;;0.87;;-1.88;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM432507;MM432507;C#CC(C#CCNC)CO;ZRSYKONQWJEGFD-UHFFFAOYSA-N;137.18;-0.55;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1_Nda";;;;;;;0.04;;-4.41;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM432508;MM432508;CN=c1oncc(=O)n1C;PNIUPOZHVHEBLV-UHFFFAOYSA-N;141.13;-1.1;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP1_SP3";;;;;;;-1.93;;-4.72;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM432509;MM432509;C#CCC1CCC(C=O)O1;QSAITYOUEVPOCE-UHFFFAOYSA-N;138.17;0.76;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP1_SC5";;;;;;;0.81;;-0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM432510;MM432510;C#CC1(CC)CC1CC=O;PNCQMFTZYTWLTB-UHFFFAOYSA-N;136.19;1.62;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC4_Na";;;;;;;2.2;;0.34;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM432511;MM432511;CC=C(CCN)CC1CC1;HUMRJSFZLIXZPV-UHFFFAOYSA-N;139.24;2.08;;;;;DOPC;MDCG;27;1;"MARTINI bead: C5_SC5";;;;;;;2.41;;-0.45;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM432512;MM432512;C#CC(C#CCOC)CC;GJQHKKPAHQPPAM-UHFFFAOYSA-N;136.19;1.3;;;;;DOPC;MDCG;27;0;"MARTINI bead: C3_Na";;;;;;;2.57;;0.45;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM432513;MM432513;C#CCC1COC(C=C)O1;IMANXDGFRIGFDX-UHFFFAOYSA-N;138.17;0.94;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNa_SNa";;;;;;;0.87;;-2.22;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM432514;MM432514;C=C(CN)C1C(CO)N1C;DQNGYALWBBUCJW-UHFFFAOYSA-N;142.2;-0.82;;;;;DOPC;MDCG;27;1;"MARTINI bead: SP1_P1";;;;;;;-0.79;;-5.04;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM432515;MM432515;CCN(C=O)N=CC=NN;GRPOOBWDWXYREF-UHFFFAOYSA-N;142.16;-0.61;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_P2";;;;;;;-1.06;;-3.82;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM432516;MM432516;CCCC(=CF)CC1CC1;ODFWIKYBIWZSNN-UHFFFAOYSA-N;142.22;3.44;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1_SC5";;;;;;;3.68;;0.46;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM432517;MM432517;C#CC1(CC)CC1CC#N;DIURVNOATFASHN-UHFFFAOYSA-N;133.19;1.95;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC4_P1";;;;;;;1.37;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM432518;MM432518;C#CC(C#CCOC)CO;ODXWURLYOPZVCR-UHFFFAOYSA-N;138.17;-0.12;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4_P3";;;;;;;0.23;;-1.03;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM432519;MM432519;C=NNC=NCC(C)F;WZDAQLDWOKAPGP-UHFFFAOYSA-N;131.15;0.58;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_P2";;;;;;;0.54;;-1.09;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM432520;MM432520;C#CCC1COC(C=O)O1;PAIAOTCGFBICEA-UHFFFAOYSA-N;140.14;-0.05;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP2_SNa";;;;;;;-0.24;;-3.24;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM432521;MM432521;CN=c1oncc(=N)n1N;QCMOHAMQUJCGJO-UHFFFAOYSA-N;141.13;-1.8;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP3_SP2";;;;;;;-2.2;;-5.19;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM432522;MM432522;C#CC1(CN)CC1CC=C;PVILTWIVPPWHMB-UHFFFAOYSA-N;135.21;1.16;;;;;DOPC;MDCG;27;1;"MARTINI bead: SNd_C4";;;;;;;2.2;;-1.92;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM432523;MM432523;CC=C(CCN)CC1CN1;AZYCLCBDGMWCJU-UHFFFAOYSA-N;140.23;0.64;;;;;DOPC;MDCG;27;1;"MARTINI bead: C5_SP2";;;;;;;0.54;;-3.83;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM432524;MM432524;C#CC(C#CCOC)CF;ICEPIAKPJSRBHN-UHFFFAOYSA-N;140.16;0.86;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_Na";;;;;;;0.87;;-2.22;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM432525;MM432525;C#CCC1OCC(C=C)O1;ORGUHNUAVINTJX-UHFFFAOYSA-N;138.17;0.94;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNa_SNa";;;;;;;0.87;;-2.22;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM432526;MM432526;CCC1C(C(=N)NC)N1C;HEHAJQWUSDSNOX-UHFFFAOYSA-N;141.22;0.28;;;;;DOPC;MDCG;27;1;"MARTINI bead: SNd_P3";;;;;;;-1.1;;-7.45;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM432527;MM432527;C=CN(C=O)N=CC=NN;CYECVFHEIBAYSF-UHFFFAOYSA-N;140.15;-0.48;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nd_P2";;;;;;;-0.24;;-3.16;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM432528;MM432528;C=CCC(=CC)CC1CC1;UPMKCVVRGSMIMC-UHFFFAOYSA-N;136.24;3.31;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1_SC5";;;;;;;3.68;;0.46;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM432529;MM432529;C=Cn1nnc(N)c1N;IBKRGRQCYKSJQG-UHFFFAOYSA-N;125.14;-0.46;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP2_SP2";;;;;;;-1.34;;-4.31;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM432530;MM432530;C#CCC1OCC(C=O)O1;SKIBWOAFSQAGII-UHFFFAOYSA-N;140.14;-0.05;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP1_SNa";;;;;;;0.04;;-2.54;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM432531;MM432531;CN=c1oncc(=O)n1N;VMNMQAHMYYNRTJ-UHFFFAOYSA-N;142.12;-1.92;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP2_SP3";;;;;;;-2.2;;-5.19;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM432532;MM432532;CCC1C(C(=N)NN)N1C;VNDJAHACAVFOOG-UHFFFAOYSA-N;142.21;-0.48;;;;;DOPC;MDCG;27;1;"MARTINI bead: SNd_P4";;;;;;;-1.19;;-6.77;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM432533;MM432533;C#CC(C#CCCN)NC;WTJBXZVHPOHBRE-UHFFFAOYSA-N;136.2;-0.44;;;;;DOPC;MDCG;27;1;"MARTINI bead: P2_Nd";;;;;;;-0.24;;-5.57;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM432534;MM432534;CC=C(CC#N)CC1CC1;UOEZRMVPBIGQOL-UHFFFAOYSA-N;135.21;2.65;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_SC5";;;;;;;2.41;;0.64;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM432535;MM432535;Cc1cnc(=NN)on1;WBIAANKXXCNXPI-UHFFFAOYSA-N;126.12;-0.85;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP3_SP2";;;;;;;-2.2;;-5.19;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM432536;MM432536;C#CCC1OCC(C#N)O1;ZTLAARGTNATTEY-UHFFFAOYSA-N;137.14;0.27;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNa_SP1";;;;;;;0.04;;-2.54;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM432537;MM432537;CC1=NNC(=N)C1(C)C;GLPDAIMVGROESO-UHFFFAOYSA-N;125.18;0.97;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP1_SNd";;;;;;;0.04;;-2.63;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM432538;MM432538;N=CN(C=N)N=CC=NN;VEBWGWJPJFQJST-UHFFFAOYSA-N;140.15;-0.57;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nd_P3";;;;;;;-1.1;;-3.93;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM432539;MM432539;N#CCC(=CF)CC1CC1;FTQBUHHEWRIADO-UHFFFAOYSA-N;139.17;2.55;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_SC5";;;;;;;1.64;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM432540;MM432540;C#CC(C#CCCC)OC;MBFHCTRGRPKQQS-UHFFFAOYSA-N;136.19;1.44;;;;;DOPC;MDCG;27;0;"MARTINI bead: C3_Na";;;;;;;2.57;;0.45;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM432541;MM432541;C#CC1(CF)CC1CC=O;FHXGDGOXDRYSTD-UHFFFAOYSA-N;140.16;1.18;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNa_Na";;;;;;;0.87;;-2.22;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM432542;MM432542;C#CCC1CCN(C=N)C1;QJFOYMUHPGBZQC-UHFFFAOYSA-N;136.2;0.94;;;;;DOPC;MDCG;27;1;"MARTINI bead: SP1_SN0";;;;;;;0.34;;-5.7;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM432543;MM432543;CC(=O)C#CCN1CC1;DSBHTSMGALZSBF-UHFFFAOYSA-N;123.16;-0.11;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_SP1";;;;;;;0.04;;-2.54;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM432544;MM432544;CN=c1oncc(=N)n1O;VEGHCUKYIFATCM-UHFFFAOYSA-N;142.12;-1.28;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP3_SP2";;;;;;;-2.2;;-5.19;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM432545;MM432545;C=CCC(=NN)NC1CC1;DNLRPUXIZZPVFW-UHFFFAOYSA-N;139.2;0.59;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1_SC5";;;;;;;0.81;;-1.99;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM432546;MM432546;C#CC(C#CCCF)OC;YBNRMHOHFYFCSS-UHFFFAOYSA-N;140.16;1;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_Na";;;;;;;0.87;;-2.22;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM432547;MM432547;C#CC1(NC)CC1CC=C;LKLOUJYUTXNICD-UHFFFAOYSA-N;135.21;1.17;;;;;DOPC;MDCG;27;1;"MARTINI bead: SNd_C4";;;;;;;2.2;;-1.14;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM432548;MM432548;C#CCC1CCN(C=O)C1;SLUMGSBPNHMWPI-UHFFFAOYSA-N;137.18;0.49;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP1_SN0";;;;;;;0.34;;-1.53;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM432549;MM432549;CN1C(CO)C1C(=O)NO;TYUWKADIZNLSAF-UHFFFAOYSA-N;146.15;-1.83;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP1_P4";;;;;;;-2.01;;-5.13;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM432550;MM432550;N=c1cnoc(=NN)n1O;JGMITZXXFFYGPO-UHFFFAOYSA-N;143.11;-2.03;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP3_SP2";;;;;;;-2.2;;-5.19;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM432551;MM432551;C#CC(C#CCOC)OC;KDPVEERABIIFGQ-UHFFFAOYSA-N;138.17;0.28;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_Na";;;;;;;0.87;;-2.22;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM432552;MM432552;C#CC1(OC)CC1CC=O;DEFHBKRXAOUOMC-UHFFFAOYSA-N;138.17;0.61;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNa_Na";;;;;;;0.87;;-2.22;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM432553;MM432553;CC=C(CC#N)CC1CO1;AHHSHWOIPSNBJK-UHFFFAOYSA-N;137.18;1.64;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_SP1";;;;;;;0.81;;-0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM432554;MM432554;C=C(OC)C1C(CC)N1C;LIBXGQSNVUEDSW-UHFFFAOYSA-N;141.21;1.24;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNd_Na";;;;;;;0.87;;-1.88;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM432555;MM432555;C#CCC1CNN(C=N)C1;CKMQNWNIXXPREG-UHFFFAOYSA-N;137.19;0.05;;;;;DOPC;MDCG;27;1;"MARTINI bead: SP3_SP2";;;;;;;-2.2;;-7.6;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM432556;MM432556;CN=c1onnc(=N)n1C;KNRLFHJSVMLXMN-UHFFFAOYSA-N;141.13;-1.58;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP1_SP3";;;;;;;-1.93;;-4.72;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM432557;MM432557;C#CC1(CC)CC1NC=N;LREAWAUUQKRKET-UHFFFAOYSA-N;136.2;0.98;;;;;DOPC;MDCG;27;1;"MARTINI bead: SC4_P3";;;;;;;0.23;;-4.71;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM432558;MM432558;C#CC(C#CCC=C)CC;DUMWXUJVQHVDBV-UHFFFAOYSA-N;132.21;2.23;;;;;DOPC;MDCG;27;0;"MARTINI bead: C3_C5";;;;;;;3.34;;0.48;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM432559;MM432559;CC=C(CC#N)CN1CC1;HMHYSMOBNWIBFB-UHFFFAOYSA-N;136.2;1.16;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_SP1";;;;;;;0.81;;-0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM432560;MM432560;COC(=O)C1C(CN)N1C;XWXYSDOVRVNWNX-UHFFFAOYSA-N;144.17;-1.2;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1_SP2";;;;;;;-1.06;;-5.74;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM432561;MM432561;C#CCC1CNN(C=O)C1;AUOUHLFWHOPDBW-UHFFFAOYSA-N;138.17;-0.4;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP2_SP2";;;;;;;-1.34;;-4.31;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM432562;MM432562;CN=c1onnc(=O)n1C;SXPKAFQKZSAQBU-UHFFFAOYSA-N;142.12;-1.7;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP1_SP3";;;;;;;-1.93;;-4.72;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM432563;MM432563;C=CC1CC1C(O)CC;BABNONSCHJDELT-UHFFFAOYSA-N;126.2;1.58;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda_SC4";;;;;;;2.2;;0.49;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM432564;MM432564;C#CC(C#CCC=O)CC;SZHRHRWORVDLCD-UHFFFAOYSA-N;134.18;1.24;;;;;DOPC;MDCG;27;0;"MARTINI bead: C3_Na";;;;;;;2.57;;0.45;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM432565;MM432565;C#CCC(=CC)CC1CC1;BTWOCMFDPJTNFM-UHFFFAOYSA-N;134.22;2.76;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1_SC5";;;;;;;3.68;;0.46;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM432566;MM432566;C#CCC1CON(C=O)C1;BPPUSEPNYUSUAD-UHFFFAOYSA-N;139.15;0.03;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP2_SP1";;;;;;;-1.06;;-3.82;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM432567;MM432567;C=C(CN)C1C(C)N1CC;KVKMSKTVRPKGOP-UHFFFAOYSA-N;140.23;0.59;;;;;DOPC;MDCG;27;1;"MARTINI bead: SNd_P1";;;;;;;0.04;;-4.54;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM432568;MM432568;CN=c1onnc(=N)n1N;GKNWUQSJUJFOGS-UHFFFAOYSA-N;142.12;-2.41;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP2_SP3";;;;;;;-2.2;;-5.19;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM432569;MM432569;C#CC1(CN)CC1NC=N;ZSLZAIWCSCIHTG-UHFFFAOYSA-N;137.19;-0.47;;;;;DOPC;MDCG;27;1;"MARTINI bead: SNd_P3";;;;;;;-1.1;;-7.57;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM432570;MM432570;C#CCC(=CF)CC1CC1;YABQAZAWGNKKMX-UHFFFAOYSA-N;138.19;2.66;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4_SC5";;;;;;;2.97;;0.45;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM432571;MM432571;C#CC(C#CCC#N)CC;ZLLHRCJGYVYCNW-UHFFFAOYSA-N;131.18;1.56;;;;;DOPC;MDCG;27;0;"MARTINI bead: C3_N0";;;;;;;2.87;;0.37;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM432572;MM432572;C#CCC1CCN(C=N)N1;KPGSOYGOODYYCN-UHFFFAOYSA-N;137.19;0.2;;;;;DOPC;MDCG;27;1;"MARTINI bead: SP3_SP1";;;;;;;-1.93;;-7.17;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM432573;MM432573;C=C(C)CC1(O)C(C)C1C;QTZVKGNTSYILGK-UHFFFAOYSA-N;140.23;1.97;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNda_C4";;;;;;;2.2;;0.49;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM432574;MM432574;NN=CC=NN(C=O)C=O;WWQVFORWSRSYJO-UHFFFAOYSA-N;142.12;-1.47;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nd_P3";;;;;;;-1.1;;-3.93;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM432575;MM432575;C#CC1(CN)CC1NC=O;BQZXCRVHHUZJSQ-UHFFFAOYSA-N;138.17;-0.92;;;;;DOPC;MDCG;27;1;"MARTINI bead: SNd_P3";;;;;;;-1.1;;-5.98;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM432576;MM432576;C#CCC(CC1CC1)=NO;CSYKFYPNMOAJGX-UHFFFAOYSA-N;137.18;1.64;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda_SC5";;;;;;;1.64;;0.05;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM432577;MM432577;C#CCN1CCC(C=C)C1;CCEPVTIGOAVTIN-UHFFFAOYSA-N;135.21;1.13;;;;;DOPC;MDCG;27;1;"MARTINI bead: SN0_SNd";;;;;;;1.17;;-2.89;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM432578;MM432578;C=C(CF)C1C(C)N1CC;RIBAMTVNNGECHR-UHFFFAOYSA-N;143.21;1.6;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNd_Na";;;;;;;0.87;;-1.88;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM432579;MM432579;C#CC(C#CCC=C)CO;OHSTXGIKBQRXIL-UHFFFAOYSA-N;134.18;0.81;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda_C5";;;;;;;1.64;;0.05;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM432580;MM432580;CN=c1onnc(=O)n1N;OPPBRZPAMNKXGW-UHFFFAOYSA-N;143.11;-2.52;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP2_SP3";;;;;;;-2.2;;-5.19;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM432581;MM432581;C#CC1(CF)CC1NC=O;HQWDEKBCPFHSNV-UHFFFAOYSA-N;141.15;0.09;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNa_P3";;;;;;;-1.1;;-4.2;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM432582;MM432582;C#CCC(=NO)NC1CC1;LKMJMBGHBCPEIZ-UHFFFAOYSA-N;138.17;0.55;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_SC5";;;;;;;0.81;;-0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM432583;MM432583;C#CCN1CCC(C#N)C1;ARJNTZSISGSCRG-UHFFFAOYSA-N;134.18;0.47;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNd_SP1";;;;;;;0.04;;-2.63;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM432584;MM432584;CC1=C(C)C(C)(O)C(C)C1;JETKKFKDLFHVQY-UHFFFAOYSA-N;140.23;2.11;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC3_SNda";;;;;;;2.57;;0.44;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM432585;MM432585;C#CC(C#CCC=O)CO;AUVGRQZTTWZRON-UHFFFAOYSA-N;136.15;-0.18;;;;;DOPC;MDCG;27;0;"MARTINI bead: P3_C4";;;;;;;0.23;;-1.03;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM432586;MM432586;CC=CCON=CC=NN;YCHLSOSWPPWJIF-UHFFFAOYSA-N;141.17;0.51;;;;;DOPC;MDCG;27;0;"MARTINI bead: C2_P2";;;;;;;1.72;;0.28;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM432587;MM432587;C#CC1(CC)CC1NN=C;ZVVNKTBTKBTOGZ-UHFFFAOYSA-N;136.2;0.99;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC4_P2";;;;;;;1.09;;-0.38;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM432588;MM432588;C=C(OC)C1C(C)N1CC;SPOHQOMDLOHREJ-UHFFFAOYSA-N;141.21;1.24;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNd_Na";;;;;;;0.87;;-1.88;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM432589;MM432589;C#CCC(=CC)OC1CC1;JBBLLPUOJWWTNZ-UHFFFAOYSA-N;136.19;2.09;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_SC5";;;;;;;2.41;;0.64;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM432590;MM432590;C#CC1CCC(CCC)C1;JFOOEUAHNOINAO-UHFFFAOYSA-N;136.24;2.84;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC1_SC4";;;;;;;4.24;;0.42;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM432591;MM432591;C#CC(C#CCC=C)CF;YHIIIFYQILDURO-UHFFFAOYSA-N;136.17;1.78;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_C5";;;;;;;1.64;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM432592;MM432592;C#CC1(CN)CC1NN=C;ZPDZOMZFICXEHH-UHFFFAOYSA-N;137.19;-0.46;;;;;DOPC;MDCG;27;1;"MARTINI bead: SNd_P2";;;;;;;-0.24;;-5.31;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM432593;MM432593;C#CCC(=CC)CC1CO1;ZJWJLMZYEZNZKU-UHFFFAOYSA-N;136.19;1.74;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1_SP1";;;;;;;2.08;;0.48;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM432594;MM432594;C=CC(=C)C1C(C)C1CC;YOEOHHQXBMOBNS-UHFFFAOYSA-N;136.24;3.02;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC3_C3";;;;;;;4.27;;0.2;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM432595;MM432595;CC#CCON=CC=NN;GORVECMTMRGXGB-UHFFFAOYSA-N;139.16;-0.04;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_P1";;;;;;;0.81;;-0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM432596;MM432596;C#CC1CCC(CCN)C1;JAIUTPNPNFERDH-UHFFFAOYSA-N;137.23;1.38;;;;;DOPC;MDCG;27;1;"MARTINI bead: SC5_SC4";;;;;;;2.97;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM432597;MM432597;C#CC(C#CCC=O)CF;RKIRKJLMIGQIPV-UHFFFAOYSA-N;138.14;0.8;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_Na";;;;;;;0.87;;-2.22;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM432598;MM432598;C=C(C=O)C1C(C)C1CC;MGNNVWDUXSUHRN-UHFFFAOYSA-N;138.21;2.03;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC3_Na";;;;;;;2.57;;0.45;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM432599;MM432599;C#CC1(NC)CC1NC=N;XMVHTHXTLAKQLL-UHFFFAOYSA-N;137.19;-0.45;;;;;DOPC;MDCG;27;1;"MARTINI bead: SNd_P3";;;;;;;-1.1;;-7.32;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM432600;MM432600;CON=CON=CC=NN;QSCSWJDNMFYEIO-UHFFFAOYSA-N;144.13;-0.48;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_P1";;;;;;;0.04;;-2.54;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM432601;MM432601;C#CCC(=CF)CC1CO1;COWQJICSNPQABF-UHFFFAOYSA-N;140.16;1.65;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4_SP1";;;;;;;1.37;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM432602;MM432602;C#CC1CC(CCN)CN1;WLEPXZRQONJABI-UHFFFAOYSA-N;138.21;-0.05;;;;;DOPC;MDCG;27;1;"MARTINI bead: SP1_SNd";;;;;;;0.04;;-5.75;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM432603;MM432603;C#CC(C#CCC#N)CF;UYPSSJYSVPHISE-UHFFFAOYSA-N;135.14;1.12;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_N0";;;;;;;1.17;;-1.18;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM432604;MM432604;C=C(C#N)C1C(C)C1CC;WHDKZGQNQWPEDH-UHFFFAOYSA-N;135.21;2.36;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC3_N0";;;;;;;2.87;;0.37;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM432605;MM432605;C#CCC(CC1CO1)=NN;IHQHFTOXBOSGRJ-UHFFFAOYSA-N;138.17;0.11;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nd_SP1";;;;;;;0.04;;-2.63;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM432606;MM432606;C#CC1(CC)CC1OC=C;MDJDPSJADPUFQW-UHFFFAOYSA-N;136.19;1.95;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC4_Na";;;;;;;2.2;;0.34;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM432607;MM432607;C#CC1CC(NCC)CN1;GJEFOWDCMOBAHI-UHFFFAOYSA-N;138.21;-0.04;;;;;DOPC;MDCG;27;1;"MARTINI bead: SP1_SNd";;;;;;;0.04;;-5.01;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM432608;MM432608;N#CC(O)CC(O)C(=O)O;RMAJRERVAIWCAU-UHFFFAOYSA-N;145.11;-1.29;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_P2";;;;;;;-1.34;;-9.46;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM432609;MM432609;C#CC(C#CCC=C)OC;YWVXAONDVFWBQX-UHFFFAOYSA-N;134.18;1.21;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_C5";;;;;;;1.64;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM432610;MM432610;C=CC(=C)C1C(C)C1CF;XGNWMLAUKMNLLI-UHFFFAOYSA-N;140.2;2.58;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC5_C3";;;;;;;3.34;;0.48;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM432611;MM432611;C#CC1(CC)CC1OC=O;VVEFKCOJONSVGJ-UHFFFAOYSA-N;138.17;0.96;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC4_P1";;;;;;;1.37;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM432612;MM432612;C#CCC(CC1CO1)=NO;BMVIVXVZFUGQEQ-UHFFFAOYSA-N;139.15;0.63;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda_SP1";;;;;;;0.04;;-2.73;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM432613;MM432613;C#CC1CC(CCC)CO1;NLKXFTOOJSZRFY-UHFFFAOYSA-N;138.21;1.82;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC4_SNa";;;;;;;2.2;;0.34;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM432614;MM432614;N#CCC(O)C(O)C(=O)O;SLUPBCCLZXSOPI-UHFFFAOYSA-N;145.11;-1.29;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_P2";;;;;;;-1.34;;-9.46;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM432615;MM432615;C#CC(C#CCC=O)OC;KYTJPFNXRUUBGM-UHFFFAOYSA-N;136.15;0.23;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_Na";;;;;;;0.87;;-2.22;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM432616;MM432616;C=C(C=O)C1C(C)C1CF;BLVPHBQAPTVMBJ-UHFFFAOYSA-N;142.17;1.59;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC5_Na";;;;;;;1.64;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM432617;MM432617;C#CC1(CN)CC1OC=C;DTKWEMASINCCHL-UHFFFAOYSA-N;137.18;0.5;;;;;DOPC;MDCG;27;1;"MARTINI bead: SNd_Na";;;;;;;0.87;;-4.3;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM432618;MM432618;C#CCC(=CC)CN1CC1;HCFVXOGBFPYCGU-UHFFFAOYSA-N;135.21;1.27;;;;;DOPC;MDCG;27;0;"MARTINI bead: C3_SP1";;;;;;;1.74;;0.33;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM432619;MM432619;C#CC1CCC(CCN)N1;PHVGHCVBDLSXOD-UHFFFAOYSA-N;138.21;0.09;;;;;DOPC;MDCG;27;1;"MARTINI bead: SP1_SNd";;;;;;;0.04;;-5.47;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM432620;MM432620;N#CCCC(=NO)C(=O)O;JAJIQPJJFNOOED-UHFFFAOYSA-N;142.11;0.2;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_P1";;;;;;;-0.79;;-8.61;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM432621;MM432621;C#CC(C#CCC#N)OC;RQMNKHYEIADPNX-UHFFFAOYSA-N;133.15;0.55;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_N0";;;;;;;1.17;;-1.18;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM432622;MM432622;C#CC1CCC(CC=C)C1;FGDPFHMNPBLIHD-UHFFFAOYSA-N;134.22;2.61;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC1_SC4";;;;;;;4.24;;0.42;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM432623;MM432623;C#CCC(CN1CC1)=NN;KKJLCVJACZSPAR-UHFFFAOYSA-N;137.19;-0.36;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nd_SP1";;;;;;;0.04;;-2.63;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM432624;MM432624;C#CC1(CN)CC1OC=O;UBKVINKAFNTJNQ-UHFFFAOYSA-N;139.15;-0.49;;;;;DOPC;MDCG;27;1;"MARTINI bead: SNd_P1";;;;;;;0.04;;-5.04;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM432625;MM432625;C=CC(=O)C1C(C)C1CC;YABQYYMFKMUQSM-UHFFFAOYSA-N;138.21;2.03;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC3_Na";;;;;;;2.57;;0.45;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM432626;MM432626;CCOC=NN=CC=NN;VLQKJZSDVNREKW-UHFFFAOYSA-N;142.16;-0.02;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_P1";;;;;;;0.81;;-0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM432627;MM432627;C#CCC#CC(C#C)CC;BJLRDCHHZNVYSN-UHFFFAOYSA-N;130.19;1.67;;;;;DOPC;MDCG;27;0;"MARTINI bead: C3_N0";;;;;;;2.87;;0.37;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM432628;MM432628;C#CC1CCC(CC#N)C1;JOUAGVUIJQETRR-UHFFFAOYSA-N;133.19;1.95;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC4_SC4";;;;;;;3.53;;0.53;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM432629;MM432629;NN=c1cnoc(F)n1;NFQCVOCRMLOESG-UHFFFAOYSA-N;130.08;-1.02;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP3_SP2";;;;;;;-2.2;;-5.19;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM432630;MM432630;CCC1C(C)C1C(=O)C=O;CCQMHLAEWCXHGG-UHFFFAOYSA-N;140.18;1.05;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC3_P1";;;;;;;1.74;;0.29;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM432631;MM432631;C=CCC=NN=CC=NN;DNCTWKAFOOULFP-UHFFFAOYSA-N;138.17;0.56;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_C5";;;;;;;0.81;;-0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM432632;MM432632;C#CC1(CO)CC1OC=O;WUUGAJJHPNMFQX-UHFFFAOYSA-N;140.14;-0.46;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNda_P1";;;;;;;0.04;;-2.73;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM432633;MM432633;C#CCC#CC(C#C)CN;BJILWKSPQZHLCR-UHFFFAOYSA-N;131.18;0.22;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_N0";;;;;;;1.17;;-3.1;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM432634;MM432634;C#CC1CCC(NC=N)C1;CSJKLOSXXWVHML-UHFFFAOYSA-N;136.2;0.98;;;;;DOPC;MDCG;27;1;"MARTINI bead: SNd_SC4";;;;;;;2.2;;-3.61;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM432635;MM432635;C=COC=NN=CC=NN;FKKBUJPISYBMQS-UHFFFAOYSA-N;140.15;0.11;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nd_Na";;;;;;;0.87;;-1.88;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM432636;MM432636;CC=CC(=CC)OC1CC1;MULPFNQGJILGAL-UHFFFAOYSA-N;138.21;2.65;;;;;DOPC;MDCG;27;0;"MARTINI bead: C3_SC5";;;;;;;3.34;;0.48;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM432637;MM432637;C#CC1(CC)CC1ON=C;LOOKKNTXLUIAOH-UHFFFAOYSA-N;137.18;1.42;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC4_P1";;;;;;;1.37;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM432638;MM432638;C=CC(=C)C1C(O)C1NC;GJUUTVHEMBALTO-UHFFFAOYSA-N;139.2;0.31;;;;;DOPC;MDCG;27;1;"MARTINI bead: SP2_C3";;;;;;;1.46;;-2.04;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM432639;MM432639;C#CCC#CC(C#C)CO;DQJYPSJQWFJLMH-UHFFFAOYSA-N;132.16;0.25;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda_N0";;;;;;;1.17;;-1.13;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM432640;MM432640;C#CC1CCC(OC=C)C1;GTRLDKQWANJIBH-UHFFFAOYSA-N;136.19;1.95;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC4_SC4";;;;;;;3.53;;0.53;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM432641;MM432641;N=c1c(=NO)occn1O;WYHQNQBBPGJDOF-UHFFFAOYSA-N;143.1;-0.91;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP2_SP2";;;;;;;-1.34;;-4.31;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM432642;MM432642;CC=CC(CC1CO1)=NO;QTWHCSDUQTXOAP-UHFFFAOYSA-N;141.17;1.18;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_SP1";;;;;;;0.81;;-0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM432643;MM432643;C#CC1(CN)CC1ON=C;NLTQKHPCYLGXTJ-UHFFFAOYSA-N;138.17;-0.03;;;;;DOPC;MDCG;27;1;"MARTINI bead: SNd_P1";;;;;;;0.04;;-5.04;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM432644;MM432644;C=CC(=C)C1C(N)C1OC;NVPMIDQTKGDCNW-UHFFFAOYSA-N;139.2;0.7;;;;;DOPC;MDCG;27;1;"MARTINI bead: SP1_C3";;;;;;;1.74;;-1.14;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM432645;MM432645;C#CCC#CC(C#C)CF;QYEINDGFGWCLTD-UHFFFAOYSA-N;134.15;1.23;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_N0";;;;;;;1.17;;-1.18;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM432646;MM432646;C#CC1CC(CC#N)CN1;JNARVYMAGLORPU-UHFFFAOYSA-N;134.18;0.51;;;;;DOPC;MDCG;27;1;"MARTINI bead: SNd_SP1";;;;;;;0.04;;-4.54;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM432647;MM432647;CC=CC=NN=CC=NN;OOZNWCPOJPFQJC-UHFFFAOYSA-N;138.17;0.56;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_Nd";;;;;;;1.64;;0.02;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM432648;MM432648;CC=CC(=CC)CN1CC1;HBPYQDOJQXKCIU-UHFFFAOYSA-N;137.23;1.82;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1_SP1";;;;;;;2.08;;0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM432649;MM432649;C=NN(C)CC(=O)C=CN;HXPREQQDJPQMQV-UHFFFAOYSA-N;141.17;-0.42;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_P2";;;;;;;-1.06;;-3.82;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM432650;MM432650;CCC=NNC=CC#N;SIPXKPGVZZKRRG-UHFFFAOYSA-N;123.16;1.01;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nd_N0";;;;;;;1.17;;-1.04;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM432651;MM432651;C#CCC#CC(C#C)OC;DRZBILJICVBNLR-UHFFFAOYSA-N;132.16;0.66;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_N0";;;;;;;1.17;;-1.18;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM432652;MM432652;C#CC1CC(OC=C)CN1;COSYNJWYHITQRA-UHFFFAOYSA-N;137.18;0.51;;;;;DOPC;MDCG;27;1;"MARTINI bead: SNa_SNd";;;;;;;0.87;;-3.85;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM432653;MM432653;Cn1ccoc(=NO)c1=O;KTZZBRDOVVXARQ-UHFFFAOYSA-N;142.11;-0.73;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP1_SP2";;;;;;;-1.06;;-3.82;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM432654;MM432654;CC#CC(=CC)CC1CC1;UWNIGOUQSJEJSC-UHFFFAOYSA-N;134.22;2.76;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1_SC5";;;;;;;3.68;;0.46;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM432655;MM432655;C=C(C#N)C1C(C)N1CC;ZVRLFGBIQIQVFQ-UHFFFAOYSA-N;136.2;1.16;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNd_N0";;;;;;;1.17;;-1.04;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM432656;MM432656;C#CC1(OC)CC1OC=O;ZDKHVKHKMRYERL-UHFFFAOYSA-N;140.14;-0.05;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNa_P1";;;;;;;0.04;;-2.54;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM432657;MM432657;C=CC(C#CCCC)C=C;IMUZSCZPPGCTFJ-UHFFFAOYSA-N;134.22;2.78;;;;;DOPC;MDCG;27;0;"MARTINI bead: C3_C2";;;;;;;4.53;;0.32;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM432658;MM432658;C#CC1CC(CC#N)CO1;ZLDYSWTVJPSPJZ-UHFFFAOYSA-N;135.17;0.94;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNa_SN0";;;;;;;1.17;;-1.18;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM432659;MM432659;CC#CC=NN=CC=NN;ZSQOESOXVUZCKT-UHFFFAOYSA-N;136.16;0.01;;;;;DOPC;MDCG;27;0;"MARTINI bead: N0_Nd";;;;;;;1.17;;-1.04;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM432660;MM432660;CC#CC(=CF)CC1CC1;MWSDIVOWPMXIOP-UHFFFAOYSA-N;138.19;2.66;;;;;DOPC;MDCG;27;0;"MARTINI bead: C2_SC5";;;;;;;3.6;;0.34;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM432661;MM432661;C=CC(=O)C1C(C)N1CC;VKPZRSFSDQRXQD-UHFFFAOYSA-N;139.2;0.83;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNd_Na";;;;;;;0.87;;-1.88;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM432662;MM432662;C#CC1(OC)CC1ON=C;BCFGUOHKJNGBRG-UHFFFAOYSA-N;139.15;0.41;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNa_P1";;;;;;;0.04;;-2.54;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM432663;MM432663;C=CC(C#CCCN)C=C;SVMOXFMFBLPWLF-UHFFFAOYSA-N;135.21;1.33;;;;;DOPC;MDCG;27;1;"MARTINI bead: C5_N0";;;;;;;1.94;;-1.19;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM432664;MM432664;C#CC1CC(NC=N)CO1;OYYOZNSTVJGLRI-UHFFFAOYSA-N;138.17;-0.03;;;;;DOPC;MDCG;27;1;"MARTINI bead: SP2_SNa";;;;;;;-0.24;;-6.8;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM432665;MM432665;Nn1ccoc(=NO)c1=O;DJBWZJCXBLAQOF-UHFFFAOYSA-N;143.1;-1.56;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP2_SP2";;;;;;;-1.34;;-4.31;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM432666;MM432666;C=CC12CC(C1)C(C)(O)C2;AITPXQYEDLLVGN-UHFFFAOYSA-N;138.21;1.72;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNda_SC3";;;;;;;2.57;;0.44;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM432667;MM432667;CC#CC(CC1CC1)=NO;HIXQANKKCQRPKD-UHFFFAOYSA-N;137.18;1.64;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda_SC5";;;;;;;1.64;;0.05;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM432668;MM432668;C=CC(C#CCCF)C=C;VIEJSJXYUGSCFU-UHFFFAOYSA-N;138.19;2.34;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_C2";;;;;;;2.83;;0.35;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM432669;MM432669;C#CC1(CC)NC1CC=C;ZOAFAPQXHGNVAK-UHFFFAOYSA-N;135.21;1.32;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNd_C4";;;;;;;2.2;;0.34;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM432670;MM432670;C#CC1CNC(CC=C)C1;HNCBFCXMAWMPIT-UHFFFAOYSA-N;135.21;1.17;;;;;DOPC;MDCG;27;1;"MARTINI bead: SNd_SP1";;;;;;;0.04;;-6.19;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM432671;MM432671;Cn1nnc(O)n1;NFFKVGJDBKGNMK-UHFFFAOYSA-N;100.08;-1.08;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP2_SP1";;;;;;;-1.06;;-8.93;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM432672;MM432672;CC#CC(=NC)NC1CC1;LETJSQMULYORRU-UHFFFAOYSA-N;136.2;0.79;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_SC5";;;;;;;1.64;;-1.79;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM432673;MM432673;C#CC(=C)C1C(C)C1CC;UKACVLBDROXMSF-UHFFFAOYSA-N;134.22;2.47;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC3_C5";;;;;;;3.34;;0.48;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM432674;MM432674;C=CCCC(O)C1CC1;INKZPISVSVOIQP-UHFFFAOYSA-N;126.2;1.72;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda_SC5";;;;;;;1.64;;0.05;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM432675;MM432675;C=CC(C#CCCC)C=O;PSBRTXOTVSMPFJ-UHFFFAOYSA-N;136.19;1.79;;;;;DOPC;MDCG;27;0;"MARTINI bead: C3_Na";;;;;;;2.57;;0.45;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM432676;MM432676;C#CC1CNC(CC#N)C1;YWOOOBOXRXDWSM-UHFFFAOYSA-N;134.18;0.51;;;;;DOPC;MDCG;27;1;"MARTINI bead: SP1_SP1";;;;;;;-0.79;;-4.26;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM432677;MM432677;CN=c1c(=O)nn[nH]n1O;PIBIFFQPNUEHKW-UHFFFAOYSA-N;143.11;-2.27;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP3_SP2";;;;;;;-2.2;;-9.61;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM432678;MM432678;CC#CC(=CC)CC1CO1;FXUKPYVUSGKDSX-UHFFFAOYSA-N;136.19;1.74;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1_SP1";;;;;;;2.08;;0.48;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM432679;MM432679;C#CC(=C)C1C(C)C1CF;WHKYILYKRBWLAF-UHFFFAOYSA-N;138.19;2.03;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC5_C5";;;;;;;2.41;;0.64;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM432680;MM432680;C=CC(C#N)C#CCCC;BSMLHZAUDFSQPL-UHFFFAOYSA-N;133.19;2.12;;;;;DOPC;MDCG;27;0;"MARTINI bead: C3_N0";;;;;;;2.87;;0.37;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM432681;MM432681;C#CC1(CC)NC1CC#N;UANVVBLNAVULSB-UHFFFAOYSA-N;134.18;0.65;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNd_P1";;;;;;;0.04;;-2.63;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM432682;MM432682;C#CC1COC(CC#N)C1;JCBVRJVGKPVVOH-UHFFFAOYSA-N;135.17;0.94;;;;;DOPC;MDCG;27;0;"MARTINI bead: SN0_SNa";;;;;;;1.17;;-1.18;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM432683;MM432683;CC#CC(=CF)CC1CO1;CZKBLYISBPNENQ-UHFFFAOYSA-N;140.16;1.65;;;;;DOPC;MDCG;27;0;"MARTINI bead: C2_SP1";;;;;;;2;;0.29;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM432684;MM432684;C#CC1CN1N=CC=NN;JSILWKRHSHDQPV-UHFFFAOYSA-N;136.16;-0.77;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_SP3";;;;;;;-2.2;;-5.19;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM432685;MM432685;C#CC(=O)C1C(C)C1CF;YXQSTOGSHGBVPG-UHFFFAOYSA-N;140.16;1.04;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC5_Na";;;;;;;1.64;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM432686;MM432686;C=CC(C#CCCF)C=O;HOZBHWRYXOTKJJ-UHFFFAOYSA-N;140.16;1.35;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_Na";;;;;;;0.87;;-2.22;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM432687;MM432687;C#CC1(CN)NC1CC=C;TVUHSJWOMJFODJ-UHFFFAOYSA-N;136.2;-0.14;;;;;DOPC;MDCG;27;1;"MARTINI bead: SP2_C4";;;;;;;1.09;;-1.93;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM432688;MM432688;C#CC1CCC(CC=C)N1;HVCPTSWRQHJZLN-UHFFFAOYSA-N;135.21;1.32;;;;;DOPC;MDCG;27;1;"MARTINI bead: SN0_SNd";;;;;;;1.17;;-3.94;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM432689;MM432689;C#CC(=C)C1C(O)C1CN;UOVHESWFUMXXGF-UHFFFAOYSA-N;137.18;-0.26;;;;;DOPC;MDCG;27;1;"MARTINI bead: SP2_C5";;;;;;;0.54;;-3.49;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM432690;MM432690;Cn1cnoc(=NO)c1=N;LVASCOIPOHTPEW-UHFFFAOYSA-N;142.12;-1.22;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP2_SP3";;;;;;;-2.2;;-5.19;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM432691;MM432691;CC#CC(=CC)CN1CC1;MWOHQAFNFJYYPB-UHFFFAOYSA-N;135.21;1.27;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1_SP1";;;;;;;2.08;;0.49;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM432692;MM432692;C=CC(C#N)C#CCCF;VEQPDFMUZUKEDG-UHFFFAOYSA-N;137.16;1.68;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_N0";;;;;;;1.17;;-1.18;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM432693;MM432693;O=CC1NC1CN1CC1;BWPJGIVKDJCPIW-UHFFFAOYSA-N;126.16;-1.16;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP2_SP1";;;;;;;-1.06;;-3.82;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM432694;MM432694;C#CC1CCC(CC=C)O1;UGGJNXWDKIDSKA-UHFFFAOYSA-N;136.19;1.74;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC5_SNa";;;;;;;1.64;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM432695;MM432695;COn1ccc(=NN)cn1;NVDHKOURYCKFQH-UHFFFAOYSA-N;140.15;-1.28;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNa_SP3";;;;;;;-1.1;;-4.2;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM432696;MM432696;CC#CC(=CF)CN1CC1;CIGDUIPIQIKMLA-UHFFFAOYSA-N;139.17;1.18;;;;;DOPC;MDCG;27;0;"MARTINI bead: C3_SP1";;;;;;;1.74;;0.29;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM432697;MM432697;C#CC(=C)C1C(O)C1NC;WEDRADMUUWDFKC-UHFFFAOYSA-N;137.18;-0.25;;;;;DOPC;MDCG;27;1;"MARTINI bead: SP2_C5";;;;;;;0.54;;-2.99;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM432698;MM432698;CCCC#CC(C#N)C#N;FTYDAXKTHHMFMD-UHFFFAOYSA-N;132.17;1.45;;;;;DOPC;MDCG;27;-1;"MARTINI bead: C3_P2";;;;;;;1.46;;-2.02;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM432699;MM432699;C#CC1(CC)OC1CC=C;FXMUHTRWCIVJOV-UHFFFAOYSA-N;136.19;1.74;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNa_C4";;;;;;;2.2;;0.34;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM432700;MM432700;N=c1c(=NO)oncn1N;IGLSDHYSOKWXPH-UHFFFAOYSA-N;143.11;-2.04;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP3_SP3";;;;;;;-3.07;;-6.15;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM432701;MM432701;C#CC1CCC(CC#N)O1;SYMDAHAHIWUMPK-UHFFFAOYSA-N;135.17;1.08;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNa_SN0";;;;;;;1.17;;-1.18;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM432702;MM432702;CCC(=CCN)CC1CO1;DVAULXFBVPOISH-UHFFFAOYSA-N;141.21;1.07;;;;;DOPC;MDCG;27;1;"MARTINI bead: C5_SP1";;;;;;;0.81;;-2.73;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM432703;MM432703;C#CC(=C)C1C(N)C1OC;LLIMFZPOBARGRY-UHFFFAOYSA-N;137.18;0.15;;;;;DOPC;MDCG;27;1;"MARTINI bead: SP1_C5";;;;;;;0.81;;-2.26;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM432704;MM432704;C#CC1(C(=O)NOC)CO1;ZXIXGROPZDXFGT-UHFFFAOYSA-N;141.13;-0.93;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_SNa";;;;;;;-0.24;;-7.93;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM432705;MM432705;C#CC1(CC)OC1CC=O;MTQFKPLLJXHNSC-UHFFFAOYSA-N;138.17;0.76;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNa_Na";;;;;;;0.87;;-2.22;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM432706;MM432706;C=CC=C(CC)CC1CC1;HTCCDYFZNXJDDL-UHFFFAOYSA-N;136.24;3.31;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1_SC5";;;;;;;3.68;;0.46;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM432707;MM432707;C=Nn1ccc(=NN)cn1;WXKYIAXTJVWLPV-UHFFFAOYSA-N;137.15;-0.88;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP3_SNa";;;;;;;-1.1;;-4.2;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM432708;MM432708;C=NNC=NC=CC(C)F;JWRNIGWTCJXYQQ-UHFFFAOYSA-N;143.17;1.09;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_P1";;;;;;;0.81;;-0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM432709;MM432709;C#CC1OCC(CC=C)O1;AZRYCVNJCHYIIC-UHFFFAOYSA-N;138.17;0.94;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNa_SP1";;;;;;;0.04;;-2.54;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM432710;MM432710;O=CC(C#CCCF)C=O;VPLMRTQEHKGJDB-UHFFFAOYSA-N;142.13;0.36;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_P2";;;;;;;0.54;;-1.09;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM432711;MM432711;C#CC1(CC)OC1CC#N;KELHHBLTAVHPFL-UHFFFAOYSA-N;135.17;1.08;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNa_P1";;;;;;;0.04;;-2.54;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM432712;MM432712;N=c1c(=NO)oncn1O;JRRGXSIUZPLILX-UHFFFAOYSA-N;144.09;-1.52;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP3_SP3";;;;;;;-3.07;;-6.15;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM432713;MM432713;CCC(=CC#N)CC1CC1;QOSCNEQZVCHQFA-UHFFFAOYSA-N;135.21;2.65;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_SC5";;;;;;;2.41;;0.64;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM432714;MM432714;C#CC1CCN(CC=C)C1;MKACXSLHFAFITJ-UHFFFAOYSA-N;135.21;1.13;;;;;DOPC;MDCG;27;1;"MARTINI bead: SNd_SP1";;;;;;;0.04;;-4.44;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM432715;MM432715;C#CC(=C)C1C(C)N1CC;JEYBAAYNOQGYPA-UHFFFAOYSA-N;135.21;1.27;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNd_N0";;;;;;;1.17;;-1.04;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM432716;MM432716;N#CC(C#CCCF)C=O;WXUMMUOFOXFKNX-UHFFFAOYSA-N;139.13;0.69;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_P2";;;;;;;0.54;;-1.09;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM432717;MM432717;Cn1cnoc(=NN)c1=O;ZTQNSRBMWYHGKF-UHFFFAOYSA-N;142.12;-1.85;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP2_SP3";;;;;;;-2.2;;-5.19;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM432718;MM432718;C#CC1(CO)OC1CC=C;NJJBMGWIBJACSB-UHFFFAOYSA-N;138.17;0.33;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP2_C4";;;;;;;1.09;;-0.38;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM432719;MM432719;CC=NNCC#CC(C)=O;DECNITMLZCOULY-UHFFFAOYSA-N;138.17;0.17;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nd_Na";;;;;;;0.87;;-1.88;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM432720;MM432720;C=NN1CC(=O)CC1C;AICKMNDAYXLKMW-UHFFFAOYSA-N;126.16;0.27;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP2_SN0";;;;;;;0.06;;-2.21;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM432721;MM432721;C#CCC1CNC(C#C)C1;WTLDJQWSDCSSJP-UHFFFAOYSA-N;133.19;0.62;;;;;DOPC;MDCG;27;1;"MARTINI bead: SN0_SNd";;;;;;;1.17;;-3.89;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM432722;MM432722;C#CC1(CC)CN1CC=C;WPDVRWBGVQKLCB-UHFFFAOYSA-N;135.21;1.27;;;;;DOPC;MDCG;27;0;"MARTINI bead: SN0_P1";;;;;;;0.34;;-1.53;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM432723;MM432723;Cn1cnoc(=NO)c1=O;SMNFJSDHMVBATH-UHFFFAOYSA-N;143.1;-1.34;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP2_SP3";;;;;;;-2.2;;-5.19;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM432724;MM432724;C=CC1C(C)C1C(=O)CC;SHWFFGJFNBXTED-UHFFFAOYSA-N;138.21;2.03;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_SC4";;;;;;;2.2;;0.34;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM432725;MM432725;C=CC(C#CCNC)C=C;LZQRNPMLEPBYKI-UHFFFAOYSA-N;135.21;1.2;;;;;DOPC;MDCG;27;1;"MARTINI bead: P2_C2";;;;;;;1.72;;-1.02;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM432726;MM432726;CCC(=CC#N)NC1CC1;OZKOIBKCXXKTDT-UHFFFAOYSA-N;136.2;1.56;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nd_SC5";;;;;;;1.64;;0.02;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM432727;MM432727;C#CCC1CC(C#C)CN1;WDLZHFLQUZVJAU-UHFFFAOYSA-N;133.19;0.62;;;;;DOPC;MDCG;27;1;"MARTINI bead: SNd_SP1";;;;;;;0.04;;-5.77;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM432728;MM432728;C=CC1C(C)C1C(=N)NC;FBICLPXNVRSOKU-UHFFFAOYSA-N;138.21;1.25;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1_SC4";;;;;;;1.37;;-4.97;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM432729;MM432729;C#CC1(CC)CN1CC#N;AAPSVQHRGWPGCJ-UHFFFAOYSA-N;134.18;0.61;;;;;DOPC;MDCG;27;0;"MARTINI bead: SN0_P3";;;;;;;-0.8;;-2.99;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM432730;MM432730;C=CC(C#N)C#CCNC;CBLLOSCOCOATMN-UHFFFAOYSA-N;134.18;0.53;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1_N0";;;;;;;0.34;;-3.21;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM432731;MM432731;C=CC=C(CC)OC1CC1;ILHVRPDSVXCSFW-UHFFFAOYSA-N;138.21;2.65;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4_SC5";;;;;;;2.97;;0.45;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM432732;MM432732;CC1(C)CCCC1O;HHZBHIQGEGSCJF-UHFFFAOYSA-N;114.19;1.56;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC2_SNda";;;;;;;2.83;;0.57;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM432733;MM432733;C#CCC1CC(C#C)CO1;XFPROGNSCADPRQ-UHFFFAOYSA-N;134.18;1.05;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC5_SN0";;;;;;;1.94;;0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM432734;MM432734;C#CC1(CN)CN1CC=C;BWNIXNLOAKMOAA-UHFFFAOYSA-N;136.2;-0.18;;;;;DOPC;MDCG;27;1;"MARTINI bead: SP2_P1";;;;;;;-1.06;;-5.43;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM432735;MM432735;Nn1cnoc(=NO)c1=O;BCJGAHAVFRVZMD-UHFFFAOYSA-N;144.09;-2.16;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP3_SP3";;;;;;;-3.07;;-6.15;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM432736;MM432736;C=CC=C(CN)CC1CN1;WPXIXKFNSOYMIP-UHFFFAOYSA-N;138.21;0.42;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_SP2";;;;;;;-0.24;;-5.4;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM432737;MM432737;CC1C(C#N)C1C(=N)NO;QBEGIUWZKICQQS-UHFFFAOYSA-N;139.16;0.35;;;;;DOPC;MDCG;27;1;"MARTINI bead: SN0_P2";;;;;;;0.06;;-4.3;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM432738;MM432738;C#CCC1CCC(C#C)N1;OJGULCOVZAEMNS-UHFFFAOYSA-N;133.19;0.76;;;;;DOPC;MDCG;27;1;"MARTINI bead: SN0_SNd";;;;;;;1.17;;-3.5;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM432739;MM432739;CNCC#CC(C#N)C=O;QTCUVJPFHZYJIA-UHFFFAOYSA-N;136.15;-0.45;;;;;DOPC;MDCG;27;1;"MARTINI bead: P2_Na";;;;;;;-0.24;;-4.8;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM432740;MM432740;CON=CC(C)(C)C(C)=O;JMCXYSPZPHTODW-UHFFFAOYSA-N;143.19;1.23;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_C4";;;;;;;1.09;;-0.38;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM432741;MM432741;NN=c1[nH]c(F)c(F)o1;AGZOWPCFIZMKHY-UHFFFAOYSA-N;135.07;-0.34;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP2_SNa";;;;;;;-0.24;;-8.44;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM432742;MM432742;C=NNC=NC(=C)CCF;XWKSNXAAOMCKNK-UHFFFAOYSA-N;143.17;1.09;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_P2";;;;;;;0.54;;-1.09;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM432743;MM432743;C=CC=C(CC)CC1CO1;RSBNUCCUXHFIJC-UHFFFAOYSA-N;138.21;2.3;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1_SP1";;;;;;;2.08;;0.48;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM432744;MM432744;C#CCC1OCC(C#C)O1;LAVADQYNFVOGQB-UHFFFAOYSA-N;136.15;0.38;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNa_SP1";;;;;;;0.04;;-2.54;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM432745;MM432745;C=CC(C#CCOC)C=C;WWOHZHOLLNKPTP-UHFFFAOYSA-N;136.19;1.62;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_C2";;;;;;;2.83;;0.35;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM432746;MM432746;C#CC1(CC)CN1NC=N;DIUANKZPZQQKBO-UHFFFAOYSA-N;137.19;0.2;;;;;DOPC;MDCG;27;1;"MARTINI bead: SN0_P4";;;;;;;-0.88;;-6.33;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM432747;MM432747;CNC(=O)C1C(C)C1C#N;DPRMLBXVSCVCQV-UHFFFAOYSA-N;138.17;0.14;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_SN0";;;;;;;0.06;;-2.21;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM432748;MM432748;CCC(=CC#N)CC1CO1;XOXOPHUEBNODMW-UHFFFAOYSA-N;137.18;1.64;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_SP1";;;;;;;0.81;;-0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM432749;MM432749;COC(C(=O)O)=C(N)N;NMTCYFBUISQFCO-UHFFFAOYSA-N;132.12;-1.2;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_P1";;;;;;;-1.06;;-8.93;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM432750;MM432750;C=CC(C#CCOC)C=O;BQUSKWDSYXZTKV-UHFFFAOYSA-N;138.17;0.64;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_Na";;;;;;;0.87;;-2.22;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM432751;MM432751;CC=CC1CCC(CN)C1;NGMGWCISXSJQEA-UHFFFAOYSA-N;139.24;1.94;;;;;DOPC;MDCG;27;1;"MARTINI bead: SC1_SC5";;;;;;;3.68;;0.56;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM432752;MM432752;Cn1ncoc(=NO)c1=N;JHZWBTODUIRZKG-UHFFFAOYSA-N;142.12;-1.22;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP2_SP3";;;;;;;-2.2;;-5.19;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM432753;MM432753;C#CC1(CC)CN1NC=O;OZRPBPRBNCJQLM-UHFFFAOYSA-N;138.17;-0.26;;;;;DOPC;MDCG;27;0;"MARTINI bead: SN0_P4";;;;;;;-0.88;;-3.74;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM432754;MM432754;C=CC(C#N)C#CCOC;CJJOFLFLSAXUDC-UHFFFAOYSA-N;135.17;0.96;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_N0";;;;;;;1.17;;-1.18;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM432755;MM432755;C=CC=C(CO)CC1CO1;UPTSRYYKHBOAGF-UHFFFAOYSA-N;140.18;0.88;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_SP1";;;;;;;0.81;;-0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM432756;MM432756;C#CC=NN=C(NC)OC;XJOMAKVYQFXXIV-UHFFFAOYSA-N;139.16;-0.17;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_C5";;;;;;;0.54;;-1.09;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM432757;MM432757;C=CC1C(C)C1C(=C)OC;TZFRNRBOXXJYMA-UHFFFAOYSA-N;138.21;2.21;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_SC4";;;;;;;2.97;;0.45;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM432758;MM432758;C#CC1(CN)CN1NC=N;DHSPCMXCMQRDPD-UHFFFAOYSA-N;138.17;-1.26;;;;;DOPC;MDCG;27;1;"MARTINI bead: SP2_P4";;;;;;;-2.29;;-8.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM432759;MM432759;CC=CC1CCC(CF)C1;RXOSGOTYBOLNIP-UHFFFAOYSA-N;142.22;2.95;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC1_SC3";;;;;;;4.61;;0.31;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM432760;MM432760;N=c1c(=NO)ocnn1N;ZSMLEQMYGKCKGJ-UHFFFAOYSA-N;143.11;-2.04;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP3_SP3";;;;;;;-3.07;;-6.15;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM432761;MM432761;N#CC=C(CO)CC1CO1;QLLUVEDCGKSVHW-UHFFFAOYSA-N;139.15;0.22;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_SP1";;;;;;;-0.79;;-3.13;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM432762;MM432762;C#CC1(C(=O)NOC)CN1;NPEZCVRRGVKLHE-UHFFFAOYSA-N;140.14;-1.36;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_SP3";;;;;;;-2.2;;-9.46;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM432763;MM432763;C=CC1C(C(=C)CC)N1C;QWUVGOKYXLSTKK-UHFFFAOYSA-N;137.23;1.82;;;;;DOPC;MDCG;27;0;"MARTINI bead: C3_SNd";;;;;;;2.57;;0.54;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM432764;MM432764;CC=CC1CCC(NC)C1;QYZVRKXBSGNMBQ-UHFFFAOYSA-N;139.24;1.95;;;;;DOPC;MDCG;27;1;"MARTINI bead: SNd_SC1";;;;;;;2.91;;-0.99;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM432765;MM432765;C=CC1C(C(=C)CN)N1C;FBWZYUJXTSWZCK-UHFFFAOYSA-N;138.21;0.37;;;;;DOPC;MDCG;27;1;"MARTINI bead: SNd_P1";;;;;;;0.04;;-4.54;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM432766;MM432766;C#CC1(CN)CN1NC=O;WRHUENFQLUZADG-UHFFFAOYSA-N;139.16;-1.71;;;;;DOPC;MDCG;27;1;"MARTINI bead: SP2_P4";;;;;;;-2.29;;-7.09;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM432767;MM432767;CNC(=CC#N)CC1CO1;AXEHHXXGONWKBV-UHFFFAOYSA-N;138.17;0.4;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nd_SP1";;;;;;;0.04;;-2.63;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM432768;MM432768;C=CCC#CC(C=C)C=C;CCRFPLXSWCICOG-UHFFFAOYSA-N;132.21;2.55;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_C2";;;;;;;3.6;;0.34;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM432769;MM432769;N=c1c(=NO)ocnn1O;VNQZWJWCYSPMNG-UHFFFAOYSA-N;144.09;-1.52;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP3_SP3";;;;;;;-3.07;;-6.15;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM432770;MM432770;C=CC1C(C(=C)CF)N1C;JPXJOWZTJOJEGS-UHFFFAOYSA-N;141.19;1.38;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNd_Na";;;;;;;0.87;;-1.88;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM432771;MM432771;C#CC1(CO)CN1NC=N;NZOFUTIGIAVDRI-UHFFFAOYSA-N;139.16;-1.22;;;;;DOPC;MDCG;27;1;"MARTINI bead: SP3_P4";;;;;;;-3.15;;-9.42;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM432772;MM432772;CC=CC1CCC(OC)C1;GUVSRDLHRRQWLW-UHFFFAOYSA-N;140.23;2.38;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC5_SC1";;;;;;;3.68;;0.46;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM432773;MM432773;C=CC(C#CCC#N)C=C;PAWLHSCKHSCQLN-UHFFFAOYSA-N;131.18;1.89;;;;;DOPC;MDCG;27;0;"MARTINI bead: C2_N0";;;;;;;3.13;;0.3;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM432774;MM432774;C=CC=C(CN)CN1CC1;MXURCMSMQAAXMZ-UHFFFAOYSA-N;138.21;0.37;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_SP1";;;;;;;0.04;;-4.53;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM432775;MM432775;CC(=O)CCN1CC1;KSRUYBJHEPYPCD-UHFFFAOYSA-N;113.16;0.28;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_SP1";;;;;;;-0.79;;-3.13;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM432776;MM432776;C=CCC#CC(C=C)C=O;RQUSSJPOEGVNCD-UHFFFAOYSA-N;134.18;1.57;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_Na";;;;;;;1.64;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM432777;MM432777;C=CCC(=C)N=CNN=C;LTCAPLFEGBOOTG-UHFFFAOYSA-N;137.19;1.31;;;;;DOPC;MDCG;27;0;"MARTINI bead: C2_P2";;;;;;;1.72;;0.28;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM432778;MM432778;CC=CC1COC(CC)C1;UMUIPEDMGMRDNV-UHFFFAOYSA-N;140.23;2.38;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC5_SC5";;;;;;;2.41;;0.64;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM432779;MM432779;C#CC1(CO)CN1NC=O;KBAJUIMYIHMZTG-UHFFFAOYSA-N;140.14;-1.67;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP3_P4";;;;;;;-3.15;;-6.87;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM432780;MM432780;CNC(=CC#N)CN1CC1;JPVOSZXIQALEPS-UHFFFAOYSA-N;137.19;-0.07;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nd_SP1";;;;;;;0.04;;-2.63;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM432781;MM432781;Cn1nnoc(=NO)c1=N;NWRPLDHUBWUDDD-UHFFFAOYSA-N;143.11;-1.82;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP2_SP2";;;;;;;-1.34;;-4.31;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM432782;MM432782;C#CCC1CC1(C#C)CC;BRUMUFJSQBLDML-UHFFFAOYSA-N;132.21;2.06;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC4_N0";;;;;;;2.5;;0.44;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM432783;MM432783;CC=CC1COC(CO)C1;NYAPQQRUQGHAHF-UHFFFAOYSA-N;142.2;0.96;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC5_SP1";;;;;;;0.81;;-0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM432784;MM432784;C=CCC#CC(C#N)C=C;QTSWXNWHRGKRRK-UHFFFAOYSA-N;131.18;1.89;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_N0";;;;;;;1.94;;0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM432785;MM432785;C=NNC=NC(C)C=CF;XBDIWJWMHWHIML-UHFFFAOYSA-N;143.17;1.09;;;;;DOPC;MDCG;27;0;"MARTINI bead: C3_P2";;;;;;;1.46;;-0.15;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM432786;MM432786;C#CC=C(CC)CC1CC1;GVOBSMHXMKHTSF-UHFFFAOYSA-N;134.22;2.76;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1_SC5";;;;;;;3.68;;0.46;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM432787;MM432787;CC1(O)CC2CC2(C)C1;RHKUECSQKLGXDD-UHFFFAOYSA-N;126.2;1.56;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNda_SC4";;;;;;;2.2;;0.49;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM432788;MM432788;C#CCC1CC1(C#C)CN;LMBDDKMNBYTUKK-UHFFFAOYSA-N;133.19;0.61;;;;;DOPC;MDCG;27;1;"MARTINI bead: SNd_C5";;;;;;;1.64;;-2.39;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM432789;MM432789;C=CC(C#CCC=O)C=O;JOUPELKZUIAPJD-UHFFFAOYSA-N;136.15;0.58;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_Na";;;;;;;0.87;;-2.22;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM432790;MM432790;CCN(CC)C(=N)C(C)=O;ABZLODFVDDVOSZ-UHFFFAOYSA-N;142.2;0.89;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nd_Na";;;;;;;0.87;;-1.88;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM432791;MM432791;CC=CC1COC(CF)C1;OQDJUEFBTINRKT-UHFFFAOYSA-N;144.19;1.94;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC5_SNa";;;;;;;1.64;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM432792;MM432792;N=c1c(=NO)onnn1N;FBYFUSZOCKDUNQ-UHFFFAOYSA-N;144.09;-2.65;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP2_SP2";;;;;;;-1.34;;-4.31;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM432793;MM432793;C#CC=C(CN)CC1CC1;NBABOKMCYVIIHA-UHFFFAOYSA-N;135.21;1.3;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_SC5";;;;;;;1.64;;-2.11;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM432794;MM432794;C=CC(C#CCC#N)C=O;VNXWRKBFVDXIRG-UHFFFAOYSA-N;133.15;0.9;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_C5";;;;;;;0.54;;-1.09;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM432795;MM432795;C#CCC1CC1(C#C)NC;HWVCWQIKLVWUCW-UHFFFAOYSA-N;133.19;0.62;;;;;DOPC;MDCG;27;1;"MARTINI bead: SNd_N0";;;;;;;1.17;;-2.69;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM432796;MM432796;N=c1c(=NN)onnn1O;FHPZZKDCKRTEGB-UHFFFAOYSA-N;144.09;-2.64;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP2_SP2";;;;;;;-1.34;;-4.31;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM432797;MM432797;C=C(CF)C1C(C#N)N1C;COGXGLZQOCHLRI-UHFFFAOYSA-N;140.16;0.72;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP1_Na";;;;;;;0.04;;-2.54;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM432798;MM432798;CC=CC1CC(CF)CN1;SCWLBFSPIBGJRE-UHFFFAOYSA-N;143.21;1.51;;;;;DOPC;MDCG;27;1;"MARTINI bead: SC5_SNa";;;;;;;1.64;;-2.97;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM432799;MM432799;C#CC=C(CO)CC1CC1;GTNKTCGPDSGAPK-UHFFFAOYSA-N;136.19;1.34;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda_SC5";;;;;;;1.64;;0.05;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM432800;MM432800;C#CCC1CC1(C#C)OC;FURAEZTZHAUAAK-UHFFFAOYSA-N;134.18;1.05;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNa_N0";;;;;;;1.17;;-1.18;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM432801;MM432801;N=c1c(=NO)onnn1O;FHCJRONGAIHOOO-UHFFFAOYSA-N;145.08;-2.12;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP2_SP2";;;;;;;-1.34;;-4.31;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM432802;MM432802;C=CC(C#N)C#CCC#N;NIFIPXDNSVUINU-UHFFFAOYSA-N;130.15;1.23;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_P1";;;;;;;0.81;;-0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM432803;MM432803;CC=CC1CC(CF)CO1;QOKAHVOJMVKWFX-UHFFFAOYSA-N;144.19;1.94;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC5_SNa";;;;;;;1.64;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM432804;MM432804;C=NNC=NC(=C)C(=C)C;UNSMBOBGRBUFDU-UHFFFAOYSA-N;137.19;1.31;;;;;DOPC;MDCG;27;0;"MARTINI bead: C3_P2";;;;;;;1.46;;-0.15;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM432805;MM432805;C#CC=C(CF)CC1CC1;KEYNJYVGQBXAEU-UHFFFAOYSA-N;138.19;2.32;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4_SC5";;;;;;;2.97;;0.45;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM432806;MM432806;Cn1nnoc(=NN)c1=O;ZCSLDOGZZOSZJV-UHFFFAOYSA-N;143.11;-2.46;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP2_SP2";;;;;;;-1.34;;-4.31;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM432807;MM432807;C=CCC#CC(C#N)C=O;WRYOOPUYIXGPQH-UHFFFAOYSA-N;133.15;0.9;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_P2";;;;;;;0.54;;-1.09;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM432808;MM432808;CC=CC1CCC(CO)N1;LHWZAJNQNIGUAK-UHFFFAOYSA-N;141.21;0.68;;;;;DOPC;MDCG;27;1;"MARTINI bead: SC5_SP1";;;;;;;0.81;;-3.25;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM432809;MM432809;C#CCC1NC1(C#C)CC;HZDCILCEQNRZCG-UHFFFAOYSA-N;133.19;0.76;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNd_N0";;;;;;;1.17;;-1.04;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM432810;MM432810;C#CC=C(CC1CC1)OC;YZBNWWPXRCTAIU-UHFFFAOYSA-N;136.19;1.95;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_SC5";;;;;;;2.41;;0.64;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM432811;MM432811;C=C(F)C(C)=NNC=NC;AXYCPEZSXNDDBW-UHFFFAOYSA-N;143.17;1.09;;;;;DOPC;MDCG;27;0;"MARTINI bead: P3_C3";;;;;;;0.6;;-0.8;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM432812;MM432812;Cn1nnoc(=NO)c1=O;BBYRUPVZSNFLDF-UHFFFAOYSA-N;144.09;-1.94;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP2_SP2";;;;;;;-1.34;;-4.31;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM432813;MM432813;CC=CC1COC(CO)O1;CUGVNIMGXYHKKK-UHFFFAOYSA-N;144.17;0.3;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNa_SP2";;;;;;;-0.24;;-3.24;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM432814;MM432814;C#CC=C(CC)OC1CC1;SRVYMRPDSBTLSD-UHFFFAOYSA-N;136.19;2.09;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_SC5";;;;;;;2.41;;0.64;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM432815;MM432815;C#CCC1NC1(C#C)CN;HZFQNEHSQQYPFA-UHFFFAOYSA-N;134.18;-0.69;;;;;DOPC;MDCG;27;1;"MARTINI bead: SP2_N0";;;;;;;0.06;;-3.8;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM432816;MM432816;CON=CC=C(C)C(C)=O;BNMZFAVYVMVIJC-UHFFFAOYSA-N;141.17;1.15;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_Na";;;;;;;0.87;;-2.22;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM432817;MM432817;C=CCC#CC(C#N)C#N;YLTZVJLMMQCNEQ-UHFFFAOYSA-N;130.15;1.23;;;;;DOPC;MDCG;27;-1;"MARTINI bead: C3_P1";;;;;;;1.74;;-1.35;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM432818;MM432818;N=C(NN)ON=CCF;MRAXODPTKMFXNS-UHFFFAOYSA-N;134.11;-0.64;;;;;DOPC;MDCG;27;0;"MARTINI bead: P3_C5";;;;;;;-0.33;;-2.01;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM432819;MM432819;CC=NN1CCC(CC)C1;JTXXFFQKIVDXLO-UHFFFAOYSA-N;140.23;1.72;;;;;DOPC;MDCG;27;0;"MARTINI bead: SN0_SN0";;;;;;;1.47;;-0.05;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM432820;MM432820;C#CCC1OC1(C#C)CC;FVKAMAADWIKCRK-UHFFFAOYSA-N;134.18;1.19;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNa_N0";;;;;;;1.17;;-1.18;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM432821;MM432821;C#CC=C(CN)CC1CN1;FYQUXCWAIKFWHF-UHFFFAOYSA-N;136.2;-0.13;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_SP2";;;;;;;-0.24;;-5.38;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM432822;MM432822;C=CC1C(C(=N)NN)N1C;NBICCZDPPRUFLK-UHFFFAOYSA-N;140.19;-0.7;;;;;DOPC;MDCG;27;1;"MARTINI bead: SNd_P4";;;;;;;-1.19;;-6.69;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM432823;MM432823;O=CCC#CC(C=O)C=O;VRIDFUCAZYONPB-UHFFFAOYSA-N;138.12;-0.41;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_Na";;;;;;;0.87;;-2.22;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM432824;MM432824;Nn1nnoc(=NO)c1=O;MZYSGUDAFAIWON-UHFFFAOYSA-N;145.08;-2.77;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP2_SP2";;;;;;;-1.34;;-4.31;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM432825;MM432825;CCC(C=O)N(C)CC#N;WYIWCWRSITZAGR-UHFFFAOYSA-N;140.19;0.42;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_P2";;;;;;;0.54;;-1.09;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM432826;MM432826;CNC(=N)C1C(C#N)N1C;ADOCSPNIZKYBNW-UHFFFAOYSA-N;138.17;-0.61;;;;;DOPC;MDCG;27;1;"MARTINI bead: P3_SP1";;;;;;;-1.93;;-7.91;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM432827;MM432827;C#CC=C(CC)CC1CO1;SSCOHCQDGUQNLQ-UHFFFAOYSA-N;136.19;1.74;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1_SP1";;;;;;;2.08;;0.48;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM432828;MM432828;C#CCN1CC1(C#C)CN;WIGASHWOGLUZOE-UHFFFAOYSA-N;134.18;-0.73;;;;;DOPC;MDCG;27;1;"MARTINI bead: SP2_P2";;;;;;;-1.34;;-5.91;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM432829;MM432829;C#CCC#CC(C=C)C=C;DLRVXIXWLRYXHG-UHFFFAOYSA-N;130.19;2;;;;;DOPC;MDCG;27;0;"MARTINI bead: C2_N0";;;;;;;3.13;;0.3;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM432830;MM432830;O=C(O)n1oc(=O)oc1=O;QTFNTJVTMOCROM-UHFFFAOYSA-N;147.04;-1.08;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_SP2";;;;;;;-1.06;;-8.93;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM432831;MM432831;CC=NN1CCC(CF)C1;WJCBZJUBUPFURP-UHFFFAOYSA-N;144.19;1.28;;;;;DOPC;MDCG;27;0;"MARTINI bead: SN0_SNa";;;;;;;1.17;;-1.18;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM432832;MM432832;CC#CC(=CNN)N=NC;GCQHSLRWQMDESG-UHFFFAOYSA-N;138.17;0.4;;;;;DOPC;MDCG;27;0;"MARTINI bead: C2_P3";;;;;;;0.86;;-0.3;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM432833;MM432833;C#CC=C(CN)CC1CO1;YSNHYNNGDIZFLW-UHFFFAOYSA-N;137.18;0.29;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_SP1";;;;;;;0.04;;-4.84;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM432834;MM432834;CC(C)C(=N)N=C(N)C=O;ZNKZUZSKYUGICW-UHFFFAOYSA-N;141.17;0.18;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nd_P2";;;;;;;-0.24;;-3.16;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM432835;MM432835;C#CCC#CC(C=C)C=O;OMPZKMWDHMDEAJ-UHFFFAOYSA-N;132.16;1.01;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_N0";;;;;;;1.17;;-1.18;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM432836;MM432836;CCn1nnc(O)n1;IIRRJIQLSBEICR-UHFFFAOYSA-N;114.11;-0.6;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP1_SP1";;;;;;;-0.79;;-8.62;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM432837;MM432837;CC=NN1CCC(NC)C1;QRDNFULTBLDBOA-UHFFFAOYSA-N;141.22;0.29;;;;;DOPC;MDCG;27;1;"MARTINI bead: SP1_SN0";;;;;;;0.34;;-3.28;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM432838;MM432838;C=CC1C(C(=O)NO)N1C;AORYRTYZQWENLY-UHFFFAOYSA-N;142.16;-0.64;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNd_P4";;;;;;;-1.19;;-4.91;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM432839;MM432839;C=CC1(C=C)CC1CCC;CIYRVSAMBPRJOL-UHFFFAOYSA-N;136.24;3.16;;;;;DOPC;MDCG;27;0;"MARTINI bead: C3_SC4";;;;;;;3.9;;0.47;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM432840;MM432840;C#CCC#CC(C#N)C=C;RMNKYJABELRPNP-UHFFFAOYSA-N;129.16;1.34;;;;;DOPC;MDCG;27;0;"MARTINI bead: N0_N0";;;;;;;1.47;;-0.05;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM432841;MM432841;C#CC=C(CC)CN1CC1;JPJMWSZMWLYNPH-UHFFFAOYSA-N;135.21;1.27;;;;;DOPC;MDCG;27;0;"MARTINI bead: C2_SP1";;;;;;;2;;0.36;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM432842;MM432842;CCON=CC(C)=NN;PEHBNBCXNZMBHB-UHFFFAOYSA-N;129.16;0.34;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_Nd";;;;;;;0.87;;-1.88;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM432843;MM432843;C=CC1CCC(C=CC)C1;ZZJWDNZVUZMJQV-UHFFFAOYSA-N;136.24;3.16;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC1_SC2";;;;;;;4.87;;0.53;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM432844;MM432844;C=CC1(C=C)CC1CCN;KBQZKEKSFVYQQZ-UHFFFAOYSA-N;137.23;1.71;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1_SC4";;;;;;;1.37;;-2.72;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM432845;MM432845;CC(=O)C#CCN1CC1C;GWACXKXTOIMSQK-UHFFFAOYSA-N;137.18;0.28;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNd_Na";;;;;;;0.87;;-1.88;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM432846;MM432846;C#CCC#CC(C=O)C=O;AYIJFUSMPOFGON-UHFFFAOYSA-N;134.13;0.03;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_C4";;;;;;;1.09;;-0.37;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM432847;MM432847;C#CC=C(CN)CN1CC1;LIVNGPQFPPCMGO-UHFFFAOYSA-N;136.2;-0.18;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_SP1";;;;;;;0.04;;-4.51;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM432848;MM432848;C=c1cnoc(=NO)c1=C;NQNLAMSZFLUMAI-UHFFFAOYSA-N;138.13;-1.21;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP1_SP1";;;;;;;-0.79;;-3.13;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM432849;MM432849;C=C(CC)C1C(C)N1C=N;UQRUVQXJZRCKSW-UHFFFAOYSA-N;138.21;1.63;;;;;DOPC;MDCG;27;1;"MARTINI bead: C3_SP1";;;;;;;1.74;;-1.65;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM432850;MM432850;C#CCC1CC(C)(O)C1C;GJQNJMWYKBPKIJ-UHFFFAOYSA-N;138.21;1.42;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC3_SNda";;;;;;;2.57;;0.44;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM432851;MM432851;CC=CC1CCC(C#N)C1;IKCJGBCMEMWSEF-UHFFFAOYSA-N;135.21;2.5;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC1_SC5";;;;;;;3.68;;0.46;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM432852;MM432852;C#CCC#CC(C#N)C=O;NKDHNPHHUDAUEK-UHFFFAOYSA-N;131.13;0.35;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_N0";;;;;;;1.17;;-1.18;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM432853;MM432853;C#CC=C(CN1CC1)OC;LDNVRPUYONPJPD-UHFFFAOYSA-N;137.18;0.47;;;;;DOPC;MDCG;27;0;"MARTINI bead: N0_SP1";;;;;;;0.34;;-1.53;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM432854;MM432854;ON=c1[nH]nc(F)o1;YZKMYLUPQJCVQS-UHFFFAOYSA-N;119.06;-0.57;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP3_SP1";;;;;;;-1.93;;-9.07;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM432855;MM432855;C=C(CN)C1C(C)N1C=N;NEHKTUVUXNDCIE-UHFFFAOYSA-N;139.2;0.18;;;;;DOPC;MDCG;27;1;"MARTINI bead: SP1_P1";;;;;;;-0.79;;-5.47;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM432856;MM432856;C=CC1(C=C)CC1CCF;OUZAFMHWTBNJOZ-UHFFFAOYSA-N;140.2;2.72;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_SC4";;;;;;;2.97;;0.45;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM432857;MM432857;CC=CC1CNC(C=O)C1;BBWVKWGFKVHXKE-UHFFFAOYSA-N;139.2;0.74;;;;;DOPC;MDCG;27;1;"MARTINI bead: SC5_SP1";;;;;;;0.81;;-2.55;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM432858;MM432858;C#CCC#CC(C#N)C#N;YKNLTBBKNFQMAC-UHFFFAOYSA-N;128.13;0.68;;;;;DOPC;MDCG;27;-1;"MARTINI bead: C5_P2";;;;;;;0.54;;-3.12;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM432859;MM432859;CN=c1nnc(O)c(O)o1;LUJJUJDQBTXVSR-UHFFFAOYSA-N;143.1;-0.99;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP2_SP3";;;;;;;-2.2;;-9.61;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM432860;MM432860;C=CC(=CCC)CC1CC1;FPJZYTNXISYWKK-UHFFFAOYSA-N;136.24;3.31;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1_SC5";;;;;;;3.68;;0.46;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM432861;MM432861;C=C(CO)C1C(C)N1C=N;ZOTTXSSDNZWMKC-UHFFFAOYSA-N;140.19;0.21;;;;;DOPC;MDCG;27;1;"MARTINI bead: SP1_Nda";;;;;;;0.04;;-4.99;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM432862;MM432862;C=CC1(C=O)CC1CCC;FSMFIYXOMMBOOF-UHFFFAOYSA-N;138.21;2.18;;;;;DOPC;MDCG;27;0;"MARTINI bead: C3_SNa";;;;;;;2.57;;0.45;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM432863;MM432863;C=CC1CNC(C=CC)C1;DOZSLPDXFLEZCI-UHFFFAOYSA-N;137.23;1.73;;;;;DOPC;MDCG;27;1;"MARTINI bead: SC5_SN0";;;;;;;1.94;;-2.07;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM432864;MM432864;CON=C(C)C(C)=NN;WSZAIQRPBXXSQE-UHFFFAOYSA-N;129.16;0.34;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_Nd";;;;;;;0.87;;-1.88;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM432865;MM432865;C#CC(C#CCCC)C=C;LTOOWSOFYFHBAH-UHFFFAOYSA-N;132.21;2.23;;;;;DOPC;MDCG;27;0;"MARTINI bead: C3_C5";;;;;;;3.34;;0.48;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM432866;MM432866;C=CC(=CCN)CC1CC1;SJJNJSRQHQOFLY-UHFFFAOYSA-N;137.23;1.86;;;;;DOPC;MDCG;27;1;"MARTINI bead: N0_SC5";;;;;;;1.94;;-1;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM432867;MM432867;C=C(CF)C1C(C)N1C=N;KTDURIXUEIVIBI-UHFFFAOYSA-N;142.18;1.19;;;;;DOPC;MDCG;27;1;"MARTINI bead: SP1_Na";;;;;;;0.04;;-4.8;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM432868;MM432868;CC=CC1CC(C=O)CN1;SOAMREVCGYDSIE-UHFFFAOYSA-N;139.2;0.74;;;;;DOPC;MDCG;27;1;"MARTINI bead: SC5_SP2";;;;;;;0.54;;-3.75;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM432869;MM432869;C=CC1(C#N)CC1CCC;FSNKYFQVCUYJKT-UHFFFAOYSA-N;135.21;2.5;;;;;DOPC;MDCG;27;0;"MARTINI bead: C3_SN0";;;;;;;2.87;;0.37;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM432870;MM432870;C#CC(C#CCCN)C=C;WQCCTUBSALCXGO-UHFFFAOYSA-N;133.19;0.77;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_C5";;;;;;;1.64;;-2.32;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM432871;MM432871;C=NN=C(C)C(C)=NN;YSOQIDUXECJKQF-UHFFFAOYSA-N;126.16;0.4;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_P1";;;;;;;0.81;;-0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM432872;MM432872;CCC=C(C#N)CC1CC1;PCMFCENWYQASEZ-UHFFFAOYSA-N;135.21;2.65;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_SC5";;;;;;;2.41;;0.64;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM432873;MM432873;C=C(CN)C1C(C)N1C=O;AQMNIOFEBDIZJO-UHFFFAOYSA-N;140.19;-0.27;;;;;DOPC;MDCG;27;1;"MARTINI bead: SP1_P1";;;;;;;-0.79;;-4.94;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM432874;MM432874;CC=CC1CCC(C=O)N1;UZTCXXVSODGLCN-UHFFFAOYSA-N;139.2;0.88;;;;;DOPC;MDCG;27;1;"MARTINI bead: SC5_SP1";;;;;;;0.81;;-1.94;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM432875;MM432875;CN1C(C(=O)C#N)C1(C)C;AYLUNGXWIQVKBY-UHFFFAOYSA-N;138.17;0.17;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_SNd";;;;;;;0.04;;-2.63;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM432876;MM432876;CCn1ncoc(=O)c1=N;JCAVTBOCWYPGAI-UHFFFAOYSA-N;141.13;-0.66;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP2_SP3";;;;;;;-2.2;;-5.19;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM432877;MM432877;C=CC(=CCN)CC1CN1;AAQKKSHQYPBQPK-UHFFFAOYSA-N;138.21;0.42;;;;;DOPC;MDCG;27;1;"MARTINI bead: N0_SP2";;;;;;;0.06;;-4.44;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM432878;MM432878;C#CC(C#CCCO)C=C;BEDSKSHOLVPFFA-UHFFFAOYSA-N;134.18;0.81;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda_C5";;;;;;;1.64;;0.05;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM432879;MM432879;CCC(=O)C1C(C)N1C=N;UYEFSFUKOVMLGS-UHFFFAOYSA-N;140.19;0.65;;;;;DOPC;MDCG;27;1;"MARTINI bead: Na_SP1";;;;;;;0.04;;-3.88;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM432880;MM432880;C=CC1(C#N)CC1CCO;XDXGGBRSUIIILV-UHFFFAOYSA-N;137.18;1.08;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_SN0";;;;;;;0.34;;-1.53;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM432881;MM432881;C=CC1CCC(C=CC)O1;YXUINHBLQFYZBC-UHFFFAOYSA-N;138.21;2.3;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC5_SN0";;;;;;;1.94;;0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM432882;MM432882;CCC=C(C#N)CC1CO1;CIJDQMXJLXKBEY-UHFFFAOYSA-N;137.18;1.64;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_SP1";;;;;;;0.81;;-0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM432883;MM432883;C#CC(C#CCCF)C=C;ZEGYRSFPSJUAMW-UHFFFAOYSA-N;136.17;1.78;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_C5";;;;;;;1.64;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM432884;MM432884;CCn1ncoc(=O)c1=O;MZENWGORQDVVLR-UHFFFAOYSA-N;142.11;-0.78;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP2_SP3";;;;;;;-2.2;;-5.19;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM432885;MM432885;C=CC1(C=O)CC1CCF;COYGSPGQZSTWTK-UHFFFAOYSA-N;142.17;1.74;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_SNa";;;;;;;1.64;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM432886;MM432886;CNC(=N)C1C(C)N1C=N;CEQGNPXMIMIDRX-UHFFFAOYSA-N;140.19;-0.14;;;;;DOPC;MDCG;27;1;"MARTINI bead: P3_SP1";;;;;;;-1.93;;-8.08;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM432887;MM432887;CC=CC1CCN(C=N)C1;SHZBHFLVJYNFGG-UHFFFAOYSA-N;138.21;1.49;;;;;DOPC;MDCG;27;1;"MARTINI bead: SC5_SP1";;;;;;;0.81;;-4.58;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM432888;MM432888;C=CC=C(C=C)CC1CC1;WEFXUQYGILCBPN-UHFFFAOYSA-N;134.22;3.08;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1_SC5";;;;;;;3.68;;0.46;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM432889;MM432889;C#CC(C#CCCC)C=O;GIZPZXRXJNFXMH-UHFFFAOYSA-N;134.18;1.24;;;;;DOPC;MDCG;27;0;"MARTINI bead: C3_Na";;;;;;;2.57;;0.45;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM432890;MM432890;CNn1ncoc(=O)c1=N;LTODVHNPVKVSFM-UHFFFAOYSA-N;142.12;-1.51;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP3_SP3";;;;;;;-3.07;;-6.15;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM432891;MM432891;C=CC1(C#N)CC1CCF;KQNPAULUIYHBGN-UHFFFAOYSA-N;139.17;2.06;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_SN0";;;;;;;1.94;;0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM432892;MM432892;CC=CC1CCN(C=O)C1;ZGBQTWAUKVHPMM-UHFFFAOYSA-N;139.2;1.04;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC5_SP1";;;;;;;0.81;;-0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM432893;MM432893;C=CC(=CC#N)CC1CC1;FAUNYIWVFYDALB-UHFFFAOYSA-N;133.19;2.42;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_SC5";;;;;;;2.41;;0.64;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM432894;MM432894;CNC(=O)C1C(C)N1C=O;UBXAADAFNBDSCJ-UHFFFAOYSA-N;142.16;-1.04;;;;;DOPC;MDCG;27;0;"MARTINI bead: P3_SP1";;;;;;;-1.93;;-4.72;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM432895;MM432895;CNn1ncoc(=O)c1=O;MCNJLEHGHDMGRN-UHFFFAOYSA-N;143.1;-1.63;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP3_SP3";;;;;;;-3.07;;-6.15;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM432896;MM432896;C#CC(C#CCCF)C=O;RCWZLFMPSABIOL-UHFFFAOYSA-N;138.14;0.8;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_Na";;;;;;;0.87;;-2.22;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM432897;MM432897;C=NN1CCC(C=CC)C1;XMNSACOYWRQLEI-UHFFFAOYSA-N;138.21;1.5;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC5_SP1";;;;;;;0.81;;-0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM432898;MM432898;CCCC1CC1(C#N)C=O;DAYKXPXKSWPHFK-UHFFFAOYSA-N;137.18;1.52;;;;;DOPC;MDCG;27;0;"MARTINI bead: C3_SNa";;;;;;;2.57;;0.45;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM432899;MM432899;C=C(OC)C1C(C)N1C=N;CGCKGRGBNDZGFX-UHFFFAOYSA-N;140.19;0.83;;;;;DOPC;MDCG;27;1;"MARTINI bead: Na_SP1";;;;;;;0.04;;-4.2;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM432900;MM432900;C=CC=C(C=O)CC1CC1;RFCMSQKOJFKXLS-UHFFFAOYSA-N;136.19;2.1;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_SC5";;;;;;;2.41;;0.64;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM432901;MM432901;C#CC(C#CCOC)C=C;QUDCLRDXAPBTHS-UHFFFAOYSA-N;134.18;1.07;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_C5";;;;;;;1.64;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM432902;MM432902;COn1ncoc(=O)c1=N;UIRCQWOGKFFWSM-UHFFFAOYSA-N;143.1;-1.63;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP2_SP3";;;;;;;-2.2;;-5.19;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM432903;MM432903;CC=CC1CON(C=O)C1;WSHSROXQSDERIK-UHFFFAOYSA-N;141.17;0.58;;;;;DOPC;MDCG;27;0;"MARTINI bead: SN0_SP2";;;;;;;0.06;;-2.21;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM432904;MM432904;CCCC1CC1(C#N)C#N;ITRDDJVFDPUOOG-UHFFFAOYSA-N;134.18;1.84;;;;;DOPC;MDCG;27;0;"MARTINI bead: C3_SP1";;;;;;;1.74;;0.29;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM432905;MM432905;C=CC=C(C#N)CC1CC1;DQGHBELXSNAQAW-UHFFFAOYSA-N;133.19;2.42;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_SC5";;;;;;;2.41;;0.64;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM432906;MM432906;COn1ncoc(=O)c1=O;UAYJPHYYPAPDKP-UHFFFAOYSA-N;144.09;-1.75;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP2_SP3";;;;;;;-2.2;;-5.19;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM432907;MM432907;C=C(OC)C1C(C)N1C=O;TYICOVQUNJHCOY-UHFFFAOYSA-N;141.17;0.38;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_SP1";;;;;;;0.04;;-2.54;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM432908;MM432908;C#CC(C#CCOC)C=O;WNDZHWBENPNHDX-UHFFFAOYSA-N;136.15;0.08;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_Na";;;;;;;0.87;;-2.22;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM432909;MM432909;CC=CC1CCN(C=O)N1;IGWQHQIEFYTIEH-UHFFFAOYSA-N;140.19;0.3;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP1_SP2";;;;;;;-1.06;;-3.82;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM432910;MM432910;N#CC1(C=O)CC1CCO;LMSQRXDYGPRODW-UHFFFAOYSA-N;139.15;0.1;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_SNa";;;;;;;0.04;;-2.54;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM432911;MM432911;Cc1c(N)c(F)nn1N;UJJPFBFFSSIRTE-UHFFFAOYSA-N;130.13;-0.37;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP1_SP1";;;;;;;-0.79;;-3.13;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM432912;MM432912;N#CC=C(C=O)CC1CC1;KHTJZOSVRIFOLS-UHFFFAOYSA-N;135.17;1.44;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_SC5";;;;;;;1.64;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM432913;MM432913;COC(=O)C1C(C)N1C=O;APGQZDVQBUERNF-UHFFFAOYSA-N;143.14;-0.61;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_SP1";;;;;;;-0.79;;-3.13;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM432914;MM432914;C#CC(C#CCC=C)C=C;WCIHNSFKGRDOOD-UHFFFAOYSA-N;130.19;2;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_C5";;;;;;;2.41;;0.64;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM432915;MM432915;C=CC1CCN(C=NC)C1;SUGWWYXMPHJAMJ-UHFFFAOYSA-N;138.21;1.15;;;;;DOPC;MDCG;27;1;"MARTINI bead: SNd_SN0";;;;;;;1.17;;-4.48;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM432916;MM432916;N#CC=C(C#N)CC1CC1;VQFLGXMPHIYXBW-UHFFFAOYSA-N;132.17;1.76;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_SC5";;;;;;;0.81;;-0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM432917;MM432917;CCc1[nH]cc(N)c1N;WPJQKJZWIJAVSZ-UHFFFAOYSA-N;125.18;0.74;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC5_SP1";;;;;;;0.81;;-0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM432918;MM432918;N#CC1(C#N)CC1CCO;WBXULRBYURXILW-UHFFFAOYSA-N;136.15;0.42;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_SP1";;;;;;;-0.79;;-3.13;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM432919;MM432919;C=NN1C(C)C1C(=C)CC;XZDWRHMUVAQUQJ-UHFFFAOYSA-N;138.21;1.64;;;;;DOPC;MDCG;27;0;"MARTINI bead: C3_SP1";;;;;;;1.74;;0.29;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM432920;MM432920;C#CC(C#CCC=O)C=C;MRZGYYIKXDJRKP-UHFFFAOYSA-N;132.16;1.01;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_Na";;;;;;;1.64;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM432921;MM432921;N#CC=C(C#N)NC1CC1;DRVRHWJQHVCBKP-UHFFFAOYSA-N;133.15;0.67;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_SC5";;;;;;;0.81;;-0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM432922;MM432922;C=CC1CCN(N=CC)C1;BYSPJPIQZUYHOU-UHFFFAOYSA-N;138.21;1.5;;;;;DOPC;MDCG;27;0;"MARTINI bead: SN0_SN0";;;;;;;1.47;;-0.05;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM432923;MM432923;N#CC1(C#N)CC1CCF;UREBBNVOSJJVMH-UHFFFAOYSA-N;138.15;1.4;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_SP1";;;;;;;0.81;;-0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM432924;MM432924;N=c1nnoc(N)c1F;LTQRFYKVRIYZRS-UHFFFAOYSA-N;130.08;-0.73;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP2_SP2";;;;;;;-1.34;;-4.31;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM432925;MM432925;C#CC(C#CCC#N)C=C;XWRUPXPEGVPCSW-UHFFFAOYSA-N;129.16;1.34;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_N0";;;;;;;1.94;;0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM432926;MM432926;C=NN1C(C)C1C(=C)CN;YVUJSZAFEOYZSI-UHFFFAOYSA-N;139.2;0.19;;;;;DOPC;MDCG;27;1;"MARTINI bead: SP1_P1";;;;;;;-0.79;;-5.04;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM432927;MM432927;CC=NN1CCC(C#N)C1;YXNVIMIWCJDCKD-UHFFFAOYSA-N;137.19;0.84;;;;;DOPC;MDCG;27;0;"MARTINI bead: SN0_SP1";;;;;;;0.34;;-1.53;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM432928;MM432928;C=CC=C(C=C)OC1CC1;SIVUBHMLOQSCIY-UHFFFAOYSA-N;136.19;2.42;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4_SC5";;;;;;;2.97;;0.45;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM432929;MM432929;C=CC1(C=C)CC1CNC;QDGWLQSEGXRNNI-UHFFFAOYSA-N;137.23;1.58;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1_SC4";;;;;;;1.37;;-3.13;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM432930;MM432930;C#CC(C#CCC=C)C=O;ZYPJCFGWCHAWEP-UHFFFAOYSA-N;132.16;1.01;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_Na";;;;;;;1.64;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM432931;MM432931;C=C(C#N)CNC(=N)C=O;KDCUNSOCTYKDGG-UHFFFAOYSA-N;137.14;-0.17;;;;;DOPC;MDCG;27;0;"MARTINI bead: N0_P3";;;;;;;-0.8;;-2.99;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM432932;MM432932;CCC(C=NOC)=NN;LAKFRDBVUUNYTG-UHFFFAOYSA-N;129.16;0.34;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_P2";;;;;;;0.54;;-1.09;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM432933;MM432933;C#CC1CCC(C=CC)C1;QSDVNZOALBBPOU-UHFFFAOYSA-N;134.22;2.61;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC1_SC4";;;;;;;4.24;;0.42;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM432934;MM432934;C=CC(=CC#N)OC1CC1;MYSXSXOINHWYRJ-UHFFFAOYSA-N;135.17;1.76;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_SC5";;;;;;;1.64;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM432935;MM432935;C=CC1(C=O)CC1CNC;CKDOIFMPCBLFJY-UHFFFAOYSA-N;139.2;0.6;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1_SNa";;;;;;;0.04;;-5.43;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM432936;MM432936;C#CC(C#CCC=O)C=O;IVHFORKJPLJRFV-UHFFFAOYSA-N;134.13;0.03;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_Na";;;;;;;0.87;;-2.22;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM432937;MM432937;C=Cn1ncoc(=O)c1=N;KETXPBCCZPJCAM-UHFFFAOYSA-N;139.11;-0.58;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP2_SP3";;;;;;;-2.2;;-5.19;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM432938;MM432938;C=NNC=NCC(F)CC;SFMKXOLRBOUAIT-UHFFFAOYSA-N;145.18;0.97;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4_P1";;;;;;;1.37;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM432939;MM432939;C#CC1CC(C=CC)CN1;QGQMDDXDYUQRDY-UHFFFAOYSA-N;135.21;1.17;;;;;DOPC;MDCG;27;1;"MARTINI bead: SC5_SNd";;;;;;;1.64;;-2.68;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM432940;MM432940;C=CC1(C#N)CC1CNC;SBNAZABUQRYHDX-UHFFFAOYSA-N;136.2;0.92;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1_SN0";;;;;;;0.34;;-3.74;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM432941;MM432941;N#CC=C(C=O)OC1CC1;ATSHDTHAUQKELI-UHFFFAOYSA-N;137.14;0.77;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_SC5";;;;;;;0.81;;-0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM432942;MM432942;C=NNC(C#N)C(=C)C#N;KLLPMMVBDILALE-UHFFFAOYSA-N;134.14;0.16;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_N0";;;;;;;0.34;;-1.53;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM432943;MM432943;C#CC(C#CCC#N)C=O;BDNBCSBCORQTJM-UHFFFAOYSA-N;131.13;0.35;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_N0";;;;;;;1.17;;-1.18;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM432944;MM432944;N=Cn1ncoc(=O)c1=N;AKYNOBJHWAUPOT-UHFFFAOYSA-N;140.1;-1.23;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP3_SP3";;;;;;;-3.07;;-6.15;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM432945;MM432945;C#CC1CNC(C=CC)C1;GRMPJYVRVXMAIX-UHFFFAOYSA-N;135.21;1.17;;;;;DOPC;MDCG;27;1;"MARTINI bead: SC5_SP1";;;;;;;0.81;;-3.33;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM432946;MM432946;CNCC1CC1(C=O)C=O;VQJLYVINULATKR-UHFFFAOYSA-N;141.17;-0.39;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1_SNa";;;;;;;0.04;;-5.13;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM432947;MM432947;C=CC=C(C=C)CC1CO1;SYDBFDWDTKVUNZ-UHFFFAOYSA-N;136.19;2.07;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1_SP1";;;;;;;2.08;;0.48;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM432948;MM432948;C#CC(C#N)C#CCC#N;MDSWBXMHVZQYKJ-UHFFFAOYSA-N;128.13;0.68;;;;;DOPC;MDCG;27;-1;"MARTINI bead: N0_N0";;;;;;;1.47;;-1.91;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM432949;MM432949;C#CCC(C#N)=C(N)CC;MLEPJBFUWNHAFR-UHFFFAOYSA-N;134.18;1.16;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nd_N0";;;;;;;1.17;;-1.04;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM432950;MM432950;N=c1c(=O)ocnn1C=O;GRZWLZLEULDCIO-UHFFFAOYSA-N;141.09;-1.65;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP3_SP3";;;;;;;-3.07;;-6.15;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM432951;MM432951;C#CC1CCC(C=CC)N1;YGSNDHHZRCEPKZ-UHFFFAOYSA-N;135.21;1.32;;;;;DOPC;MDCG;27;1;"MARTINI bead: SC5_SNd";;;;;;;1.64;;-2.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM432952;MM432952;CNCC1CC1(C#N)C=O;KKOTVQUGOOCZIQ-UHFFFAOYSA-N;138.17;-0.07;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1_SNa";;;;;;;0.04;;-4.43;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM432953;MM432953;C=CC(=CC=O)CC1CO1;OQCQGDXKCIRPRH-UHFFFAOYSA-N;138.17;1.09;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_SP1";;;;;;;0.81;;-0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM432954;MM432954;C#CCC#CC(C#C)C=C;XJNJMFQYXDVURZ-UHFFFAOYSA-N;128.17;1.45;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_N0";;;;;;;1.94;;0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM432955;MM432955;C=NN1C(C)C1C(=C)OC;GYJUBIWXDFASPT-UHFFFAOYSA-N;140.19;0.83;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_SP1";;;;;;;0.04;;-2.54;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM432956;MM432956;C=Cn1ncoc(=O)c1=O;XOIHJMINIKBUQS-UHFFFAOYSA-N;140.1;-0.7;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP2_SP3";;;;;;;-2.2;;-5.19;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM432957;MM432957;C#CC1CCC(C=CC)O1;NBGIPWAQNVPQES-UHFFFAOYSA-N;136.19;1.74;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC5_SNa";;;;;;;1.64;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM432958;MM432958;CNCC1CC1(C#N)C#N;FWEMBLDMZFVIHS-UHFFFAOYSA-N;135.17;0.26;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1_SP1";;;;;;;-0.79;;-4.32;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM432959;MM432959;C=CC(=CC#N)CC1CO1;PNWCSGHBYMARTE-UHFFFAOYSA-N;135.17;1.41;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_SP1";;;;;;;0.81;;-0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM432960;MM432960;C#CCC#CC(C#C)C=O;PRLKFYGHVIKFIL-UHFFFAOYSA-N;130.15;0.46;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_N0";;;;;;;1.17;;-1.18;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM432961;MM432961;C=NN1C(C)C1C(=O)OC;CKHNOYJYFACEET-UHFFFAOYSA-N;142.16;-0.15;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_SP1";;;;;;;-0.79;;-3.13;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM432962;MM432962;N=Cn1ncoc(=O)c1=O;ANMQRMSLEPMXAV-UHFFFAOYSA-N;141.09;-1.35;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP3_SP3";;;;;;;-3.07;;-6.15;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM432963;MM432963;CC#CC1CCC(CC)C1;NIPIPJJEPNJNLN-UHFFFAOYSA-N;136.24;2.84;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC1_SC2";;;;;;;4.87;;0.53;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM432964;MM432964;C=CC1(C=C)CC1COC;VHBQWFKNTZSJMG-UHFFFAOYSA-N;138.21;2.01;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_SC4";;;;;;;1.37;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM432965;MM432965;C#CC(C#C)C#CCCC;ZTJMGQRIXYHBGW-UHFFFAOYSA-N;130.19;1.67;;;;;DOPC;MDCG;27;0;"MARTINI bead: C3_N0";;;;;;;2.87;;0.37;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM432966;MM432966;C=CC=C(C=O)CC1CO1;HKJHQZTUDBZPJS-UHFFFAOYSA-N;138.17;1.09;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_SP1";;;;;;;0.81;;-0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM432967;MM432967;O=Cn1ncoc(=O)c1=O;ZVIXOORITWYDDF-UHFFFAOYSA-N;142.07;-1.77;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP3_SP3";;;;;;;-3.07;;-6.15;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM432968;MM432968;C=CC1C(C)N1C(=N)CC;CAPQROQEONMFNN-UHFFFAOYSA-N;138.21;1.63;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1_SP1";;;;;;;-0.79;;-6.27;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM432969;MM432969;CC#CC1CCC(CN)C1;WWAJVZXYQAUEJU-UHFFFAOYSA-N;137.23;1.38;;;;;DOPC;MDCG;27;1;"MARTINI bead: SC2_SC5";;;;;;;3.6;;0.55;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM432970;MM432970;C=CC1(C#N)CC1COC;SIMWHMZWFOFCHD-UHFFFAOYSA-N;137.18;1.35;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_SN0";;;;;;;0.34;;-1.53;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM432971;MM432971;C#CC(C#C)C#CCCN;DMBPGDPCEZLIIH-UHFFFAOYSA-N;131.18;0.22;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_N0";;;;;;;1.17;;-3.45;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM432972;MM432972;C=Nn1ncoc(=O)c1=N;HVFLQKSXPGVEPI-UHFFFAOYSA-N;140.1;-1.22;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP2_SP3";;;;;;;-2.2;;-5.19;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM432973;MM432973;C=CC=C(C#N)CC1CO1;VOGLUFIUBKFAEZ-UHFFFAOYSA-N;135.17;1.41;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_SP1";;;;;;;0.81;;-0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM432974;MM432974;C=CC1C(C)N1C(=O)CC;WLELTBVDCYZNEG-UHFFFAOYSA-N;139.2;1.18;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_SP1";;;;;;;-1.06;;-3.82;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM432975;MM432975;CC=NNCC1(C#N)CN1;PDBBZOLJBBPIEC-UHFFFAOYSA-N;138.17;-0.55;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nd_SP1";;;;;;;0.04;;-2.63;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM432976;MM432976;COCC1CC1(C=O)C=O;QACUSZVIJXNPJQ-UHFFFAOYSA-N;142.15;0.04;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_SNa";;;;;;;0.04;;-2.54;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM432977;MM432977;C#CC(C#C)C#CCCO;GHTRHUDZTVBWJR-UHFFFAOYSA-N;132.16;0.25;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda_N0";;;;;;;1.17;;-1.13;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM432978;MM432978;C=Nn1ncoc(=O)c1=O;WTOCSCLJBNJKGE-UHFFFAOYSA-N;141.09;-1.34;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP2_SP3";;;;;;;-2.2;;-5.19;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM432979;MM432979;CC#CC1CCC(CF)C1;NQVZGYMYIBHSIN-UHFFFAOYSA-N;140.2;2.4;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC2_SC3";;;;;;;4.53;;0.32;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM432980;MM432980;C=CC1C(C)N1C(=N)NN;QRSCLNXIMGPSAX-UHFFFAOYSA-N;140.19;-0.36;;;;;DOPC;MDCG;27;1;"MARTINI bead: SP1_P4";;;;;;;-2.01;;-8.56;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM432981;MM432981;N#CC=C(C=O)CC1CO1;XZQFFPINOGHBPA-UHFFFAOYSA-N;137.14;0.42;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_SP1";;;;;;;0.04;;-2.54;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM432982;MM432982;COCC1CC1(C#N)C=O;PXCYHXCIBHQXFN-UHFFFAOYSA-N;139.15;0.36;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_SNa";;;;;;;0.04;;-2.54;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM432983;MM432983;C=CC1C(C)N1C(=N)NO;ZEQUMHCJRJKXFM-UHFFFAOYSA-N;141.17;0.16;;;;;DOPC;MDCG;27;1;"MARTINI bead: SP1_P4";;;;;;;-2.01;;-7.5;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM432984;MM432984;Cn1c(=NN)cc[nH]c1=N;FBUSKPHXZNXRKN-UHFFFAOYSA-N;139.16;-1.39;;;;;DOPC;MDCG;27;1;"MARTINI bead: SP1_SP2";;;;;;;-1.06;;-6.7;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM432985;MM432985;C#CC(C#C)C#CCCF;QLHFCFHBSQFUNK-UHFFFAOYSA-N;134.15;1.23;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_N0";;;;;;;1.17;;-1.18;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM432986;MM432986;N#CC=C(C#N)CC1CO1;MLUZIWBQIYDUHQ-UHFFFAOYSA-N;134.14;0.75;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_SP1";;;;;;;-0.79;;-3.13;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM432987;MM432987;CC#CC1CCC(NC)C1;LVLUGCYLCRYGJG-UHFFFAOYSA-N;137.23;1.4;;;;;DOPC;MDCG;27;1;"MARTINI bead: SNd_SC2";;;;;;;2.83;;-1.13;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM432988;MM432988;COCC1CC1(C#N)C#N;SZZVGKDYUUIYKA-UHFFFAOYSA-N;136.15;0.69;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_SP1";;;;;;;-0.79;;-3.13;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM432989;MM432989;C=CC1C(C)C1C(=C)C=O;NNJWNPCNFFZGQQ-UHFFFAOYSA-N;136.19;1.81;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC4_Na";;;;;;;2.2;;0.34;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM432990;MM432990;Cn1c(=NN)cc[nH]c1=O;JTXAVABSTILDNX-UHFFFAOYSA-N;140.15;-1.51;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP2_SP2";;;;;;;-1.34;;-4.31;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM432991;MM432991;CC#CC1CNC(CC)C1;BFESXMFLXUVDKZ-UHFFFAOYSA-N;137.23;1.4;;;;;DOPC;MDCG;27;1;"MARTINI bead: SNd_SN0";;;;;;;1.17;;-4.66;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM432992;MM432992;C#CC(C#C)C#CCNC;SLVRDJVRSZBZFS-UHFFFAOYSA-N;131.18;0.09;;;;;DOPC;MDCG;27;1;"MARTINI bead: C5_P1";;;;;;;0.81;;-2.15;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM432993;MM432993;C=CC=C(C=C)CN1CC1;CYRDJHZYDWHFOW-UHFFFAOYSA-N;135.21;1.6;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1_SP1";;;;;;;2.08;;0.53;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM432994;MM432994;C=CC1(C=O)CC1NCC;GMORIVWWDRYEPL-UHFFFAOYSA-N;139.2;0.74;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_SNa";;;;;;;0.87;;-4.05;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM432995;MM432995;CC#CC1CNC(CN)C1;YBUCIXYMPCLWQX-UHFFFAOYSA-N;138.21;-0.05;;;;;DOPC;MDCG;27;1;"MARTINI bead: SN0_SP1";;;;;;;0.34;;-4.61;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM432996;MM432996;CN=c1cnoc(=N)n1C;NDTJBNYABWWLCH-UHFFFAOYSA-N;140.15;-0.98;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP2_SP2";;;;;;;-1.34;;-4.31;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM432997;MM432997;C=C(C#N)C1C(C)C1C=O;LTZPSRHKLQMVAY-UHFFFAOYSA-N;135.17;1.15;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNa_N0";;;;;;;1.17;;-1.18;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM432998;MM432998;C#CC(C#C)C#CCOC;HPHBPGRZXYUTQB-UHFFFAOYSA-N;132.16;0.52;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_N0";;;;;;;1.17;;-1.18;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM432999;MM432999;C=CC=C(C=O)CN1CC1;QXVYZQVTFXUXGX-UHFFFAOYSA-N;137.18;0.61;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_SP1";;;;;;;0.04;;-2.54;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM433000;MM433000;CCNC1CC1(C#N)C#N;WNYUSLXEFSNMDC-UHFFFAOYSA-N;135.17;0.4;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nd_SP1";;;;;;;0.04;;-2.63;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM433001;MM433001;C=NN=CC(CC)=NN;QTOCOJXMRPSBDG-UHFFFAOYSA-N;126.16;0.4;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nd_N0";;;;;;;1.17;;-1.04;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM433002;MM433002;CC#CC1CNC(CO)C1;VTWGXOHLOPELEQ-UHFFFAOYSA-N;139.2;-0.02;;;;;DOPC;MDCG;27;1;"MARTINI bead: SN0_SP1";;;;;;;0.34;;-4.43;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM433003;MM433003;C=C(C#N)C1C(C)C1C#N;CGDVHVHNRCNIQW-UHFFFAOYSA-N;132.17;1.47;;;;;DOPC;MDCG;27;0;"MARTINI bead: SN0_N0";;;;;;;1.47;;-0.05;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM433004;MM433004;C#CC(C#C)C#CCC=C;HQUJJUUMOSWRGP-UHFFFAOYSA-N;128.17;1.45;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_N0";;;;;;;1.94;;0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM433005;MM433005;C=CC=C(C#N)CN1CC1;KJZYAMJXHASZFI-UHFFFAOYSA-N;134.18;0.94;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_SP1";;;;;;;0.81;;-0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM433006;MM433006;C=CC1(C=C)CC1OCC;AQPXDGVZTLUPTM-UHFFFAOYSA-N;138.21;2.15;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_SC4";;;;;;;2.2;;0.34;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM433007;MM433007;Oc1nn[nH]c1O;BRRDISUTOXUKFS-UHFFFAOYSA-N;101.07;-0.78;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP2_SP2";;;;;;;-1.34;;-9.46;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM433008;MM433008;CC#CC1CNC(CF)C1;PUTWVAKFBXVIQL-UHFFFAOYSA-N;141.19;0.96;;;;;DOPC;MDCG;27;1;"MARTINI bead: SN0_SNda";;;;;;;1.17;;-3.09;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM433009;MM433009;N#CC=C(C#N)CN1CC1;BHGPIZARBXWUKG-UHFFFAOYSA-N;133.15;0.28;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_SP1";;;;;;;-0.79;;-3.13;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM433010;MM433010;C#CC(C#C)C#CCC=O;DFIRNIMNGWJMFO-UHFFFAOYSA-N;130.15;0.46;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_N0";;;;;;;1.17;;-1.18;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM433011;MM433011;CC1C(C=O)C1C(=O)C#N;QYRFRTORHCNPFA-UHFFFAOYSA-N;137.14;0.16;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNa_P1";;;;;;;0.04;;-2.54;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM433012;MM433012;C=CC1(C#N)CC1OCC;JPYYNKNHRVJCEV-UHFFFAOYSA-N;137.18;1.49;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_SN0";;;;;;;1.17;;-1.18;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM433013;MM433013;ON=C(OC=CF)C(F)F;NHMZXEALHVKXPL-UHFFFAOYSA-N;155.08;1.5;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda_N0";;;;;;;1.17;;-6.69;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM433014;MM433014;CC#CC1COC(CN)C1;KOWMFYUHLRLBQZ-UHFFFAOYSA-N;139.2;0.37;;;;;DOPC;MDCG;27;1;"MARTINI bead: SC5_SP1";;;;;;;0.81;;-2.56;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM433015;MM433015;C#CC=C(C=C)CC1CC1;XBEAYXVNZBFWQP-UHFFFAOYSA-N;132.21;2.53;;;;;DOPC;MDCG;27;0;"MARTINI bead: C3_SC5";;;;;;;3.34;;0.48;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM433016;MM433016;C#CC(C#C)C#CCC#N;PQTQTKDWQHEWBX-UHFFFAOYSA-N;127.15;0.79;;;;;DOPC;MDCG;27;0;"MARTINI bead: N0_N0";;;;;;;1.47;;-0.05;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM433017;MM433017;C=CC1C(O)C1C(=C)C#N;RQCPBSFENGUBTM-UHFFFAOYSA-N;135.17;0.86;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNda_N0";;;;;;;1.17;;-1.13;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM433018;MM433018;CCOC1CC1(C=O)C=O;LSOPMFFVUNTSOF-UHFFFAOYSA-N;142.15;0.18;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_SNa";;;;;;;0.87;;-2.22;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM433019;MM433019;C=CC(C=NOC)=NN;LUTBODQSDHRFOV-UHFFFAOYSA-N;127.15;0.12;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_C5";;;;;;;0.54;;-1.09;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM433020;MM433020;CC#CC1CC(CC)CN1;AQPOUAXLYCKSSV-UHFFFAOYSA-N;137.23;1.4;;;;;DOPC;MDCG;27;1;"MARTINI bead: SN0_SNd";;;;;;;1.17;;-3.88;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM433021;MM433021;C#CCC#CC(C#C)C#C;JEPQRALIMBAKME-UHFFFAOYSA-N;126.16;0.9;;;;;DOPC;MDCG;27;0;"MARTINI bead: N0_N0";;;;;;;1.47;;-0.05;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM433022;MM433022;C=CC1C(C(=C)C=O)N1C;MXEWUSFREMSXDJ-UHFFFAOYSA-N;137.18;0.61;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNd_Na";;;;;;;0.87;;-1.88;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM433023;MM433023;C#CC=C(C=O)CC1CC1;XPQVMKOSHUUIMY-UHFFFAOYSA-N;134.18;1.55;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_SC5";;;;;;;1.64;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM433024;MM433024;CC#CC1CC(CN)CN1;XJCMMJGOBKUUJV-UHFFFAOYSA-N;138.21;-0.05;;;;;DOPC;MDCG;27;1;"MARTINI bead: SNd_SP2";;;;;;;-0.24;;-5.91;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM433025;MM433025;CCOC1CC1(C#N)C=O;SGOGFORHAURHFP-UHFFFAOYSA-N;139.15;0.5;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_SNa";;;;;;;0.87;;-2.22;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM433026;MM433026;N=c1onnc(=NN)n1O;YMZAOJCMILDTRX-UHFFFAOYSA-N;144.09;-2.64;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP3_SP3";;;;;;;-3.07;;-6.15;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM433027;MM433027;CC=CC#CC(CC)CC;COUWNZBBUBUNSR-UHFFFAOYSA-N;136.24;3;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1_C4";;;;;;;4.24;;0.42;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM433028;MM433028;CCN(C)C(=NC)C(C)=O;KKFMPJMPMHZLCA-UHFFFAOYSA-N;142.2;0.56;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nd_Na";;;;;;;0.87;;-1.88;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM433029;MM433029;C#CC=C(C#N)CC1CC1;OGIWBZMWVTWKRM-UHFFFAOYSA-N;131.18;1.87;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_SC5";;;;;;;2.41;;0.64;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM433030;MM433030;CC#CC1CC(CO)CN1;LTXJQMSWOITTSE-UHFFFAOYSA-N;139.2;-0.02;;;;;DOPC;MDCG;27;1;"MARTINI bead: SNd_SP1";;;;;;;0.04;;-4.96;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM433031;MM433031;N=c1onnc(=NO)n1O;XQGPVBQIBWKRCL-UHFFFAOYSA-N;145.08;-2.12;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP3_SP3";;;;;;;-3.07;;-6.15;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM433032;MM433032;CCC(C#CC=CF)CC;PTFOYRGUHAPTKS-UHFFFAOYSA-N;140.2;2.91;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1_C4";;;;;;;4.24;;0.42;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM433033;MM433033;CCOC1CC1(C#N)C#N;RHAOIGZZJJEFBW-UHFFFAOYSA-N;136.15;0.83;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_SP1";;;;;;;0.04;;-2.54;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM433034;MM433034;C#CC=C(C=C)OC1CC1;RFDGIZACZQQVNG-UHFFFAOYSA-N;134.18;1.87;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_SC5";;;;;;;1.64;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM433035;MM433035;C=CC(=O)C1C(C=C)N1C;LVRGGDOSSOMYOS-UHFFFAOYSA-N;137.18;0.61;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNd_Na";;;;;;;0.87;;-1.88;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM433036;MM433036;CC#CC1CC(CF)CN1;GEVJJNIZCWHTCC-UHFFFAOYSA-N;141.19;0.96;;;;;DOPC;MDCG;27;1;"MARTINI bead: SNd_SNa";;;;;;;0.87;;-4.36;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM433037;MM433037;C=CC1(C=C)NC1CCC;XJUFGXQEQQTHFJ-UHFFFAOYSA-N;137.23;1.87;;;;;DOPC;MDCG;27;0;"MARTINI bead: C3_SNd";;;;;;;2.57;;0.56;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM433038;MM433038;C=CC(C=NN=C)=NN;XRRXSNDSHCNALZ-UHFFFAOYSA-N;124.15;0.17;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nd_N0";;;;;;;1.17;;-1.04;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM433039;MM433039;CC=CC#CC(CC)CN;FAPMTQUSEQDONE-UHFFFAOYSA-N;137.23;1.55;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_C4";;;;;;;2.2;;-1.85;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM433040;MM433040;C#CC=C(C=O)OC1CC1;ZRJUDPLNJFIQLY-UHFFFAOYSA-N;136.15;0.88;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_SC5";;;;;;;0.81;;-0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM433041;MM433041;C=NN1CCC(=C)C(=O)C1;DFYKXNRTNMUCRV-UHFFFAOYSA-N;138.17;0.43;;;;;DOPC;MDCG;27;0;"MARTINI bead: SN0_SP2";;;;;;;0.06;;-2.21;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM433042;MM433042;CC#CC1CC(NC)CN1;CFFKQBCCWLKKDP-UHFFFAOYSA-N;138.21;-0.04;;;;;DOPC;MDCG;27;1;"MARTINI bead: SP1_SNd";;;;;;;0.04;;-4.94;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM433043;MM433043;CN=CN=C(NC)OC;LBQKNEGNEVYZSN-UHFFFAOYSA-N;129.16;-0.13;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_N0";;;;;;;0.34;;-1.53;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM433044;MM433044;CCC(C#CC=CF)CN;SHGGYDWABVBDKE-UHFFFAOYSA-N;141.19;1.46;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_C5";;;;;;;1.64;;-2.31;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM433045;MM433045;C=CC1(C=C)NC1CCN;ROKCJLYHQPIYMX-UHFFFAOYSA-N;138.21;0.42;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1_SNd";;;;;;;0.04;;-5.08;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM433046;MM433046;C#CCN1CCC(=O)C1C;BXXDMTOICZUHTK-UHFFFAOYSA-N;137.18;0.28;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNd_SP2";;;;;;;-0.24;;-3.16;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM433047;MM433047;C#CC=C(C#N)OC1CC1;LNBDOBNYLOLDCN-UHFFFAOYSA-N;133.15;1.21;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_SC5";;;;;;;0.81;;-0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM433048;MM433048;CC#CC1CC(OC)CN1;ALYNLPSMKLHLHA-UHFFFAOYSA-N;139.2;0.39;;;;;DOPC;MDCG;27;1;"MARTINI bead: SP1_SNd";;;;;;;0.04;;-4.55;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM433049;MM433049;CC1CC1C1NC1C=O;GBRSPIZITVWPLC-UHFFFAOYSA-N;125.17;0.18;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC5_SP2";;;;;;;0.54;;-1.09;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM433050;MM433050;CC(C)=CCC(O)C(C)C;LZJSTEGTOURTQE-UHFFFAOYSA-N;142.24;2.36;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda_C4";;;;;;;2.2;;0.49;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM433051;MM433051;C=C(C#N)C1C(C)N1C=N;XYTFCHGHSRGFTN-UHFFFAOYSA-N;135.17;0.75;;;;;DOPC;MDCG;27;1;"MARTINI bead: SP1_N0";;;;;;;0.34;;-3.51;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM433052;MM433052;C=C(F)CN(C)C(C)C=O;NQYBDXHFMSAXOK-UHFFFAOYSA-N;145.18;0.99;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_C5";;;;;;;0.81;;-0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM433053;MM433053;C#CC=C(C=C)CC1CO1;WNWYIXGAGYGQJA-UHFFFAOYSA-N;134.18;1.52;;;;;DOPC;MDCG;27;0;"MARTINI bead: C3_SP1";;;;;;;1.74;;0.29;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM433054;MM433054;CC#CC1CC(CC)CO1;GICJEMXGJZFBAL-UHFFFAOYSA-N;138.21;1.82;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC5_SC5";;;;;;;2.41;;0.64;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM433055;MM433055;Cn1occc(=NO)c1=O;VGGJMDABXDDDEH-UHFFFAOYSA-N;142.11;-0.73;;;;;DOPC;MDCG;27;0;"MARTINI bead: SN0_SP2";;;;;;;0.06;;-2.21;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM433056;MM433056;C=CC1(C=O)NC1CCC;CBSCKFGYZDGROL-UHFFFAOYSA-N;139.2;0.88;;;;;DOPC;MDCG;27;0;"MARTINI bead: C3_SP2";;;;;;;1.46;;-0.15;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM433057;MM433057;C=CC(=C)C1C(C)N1C=O;GTLJSDKVYMKVSJ-UHFFFAOYSA-N;137.18;0.96;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP1_C4";;;;;;;1.37;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM433058;MM433058;CCC(C#CC=CF)CO;YENMUGPZLJAKER-UHFFFAOYSA-N;142.17;1.49;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda_C5";;;;;;;1.64;;0.05;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM433059;MM433059;C#CC=C(C#N)CC1CO1;TZXDFZRDGHZONT-UHFFFAOYSA-N;133.15;0.86;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_SP1";;;;;;;0.81;;-0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM433060;MM433060;CC#CC1CC(CN)CO1;QJARJYVYLKSDPO-UHFFFAOYSA-N;139.2;0.37;;;;;DOPC;MDCG;27;1;"MARTINI bead: SC5_SP1";;;;;;;0.81;;-3.22;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM433061;MM433061;C=CC1(C)CC(O)(CC)C1;KBGRNMYHHODXHS-UHFFFAOYSA-N;140.23;2.11;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNda_SC3";;;;;;;2.57;;0.44;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM433062;MM433062;C=CC1(C#N)NC1CCC;LXOGRSBDCNZDEQ-UHFFFAOYSA-N;136.2;1.21;;;;;DOPC;MDCG;27;0;"MARTINI bead: C3_SP1";;;;;;;1.74;;0.29;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM433063;MM433063;CC=CC#CC(CC)CF;RSFZKOWVKCAWCP-UHFFFAOYSA-N;140.2;2.56;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4_C4";;;;;;;3.53;;0.53;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM433064;MM433064;C=C(C#N)C1C(C)N1C=O;VBRIPARBBVVAGQ-UHFFFAOYSA-N;136.15;0.3;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP1_N0";;;;;;;0.34;;-1.53;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM433065;MM433065;C#CC=C(C=C)CN1CC1;KDUOUZALCPFSLR-UHFFFAOYSA-N;133.19;1.05;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4_SP1";;;;;;;1.37;;-0.05;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM433066;MM433066;CC#CC1CC(CO)CO1;TYXFFILIOSLGEG-UHFFFAOYSA-N;140.18;0.41;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC5_SP1";;;;;;;0.81;;-0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM433067;MM433067;C=CC(=O)C1C(C)N1C=N;PMATYDHZACBXCG-UHFFFAOYSA-N;138.17;0.42;;;;;DOPC;MDCG;27;1;"MARTINI bead: SP1_Na";;;;;;;0.04;;-3.77;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM433068;MM433068;Nn1occc(=NO)c1=O;VRHOVZNOUUDYMF-UHFFFAOYSA-N;143.1;-1.56;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP1_SP2";;;;;;;-1.06;;-3.82;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM433069;MM433069;CCC(O)CC1(C)CC1C;VHQUYFJWYUUTGI-UHFFFAOYSA-N;142.24;2.19;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda_SC4";;;;;;;2.2;;0.49;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM433070;MM433070;CCC(C#CC=CF)CF;AKLWAMNHVVLONH-UHFFFAOYSA-N;144.16;2.47;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4_C5";;;;;;;2.97;;0.45;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM433071;MM433071;CC#CC1CC(CF)CO1;YAYUCHMQQZHENK-UHFFFAOYSA-N;142.17;1.38;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC5_SNa";;;;;;;1.64;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM433072;MM433072;C#CC=C(C=O)CN1CC1;NNRLLKCVVDOGHW-UHFFFAOYSA-N;135.17;0.06;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_SP1";;;;;;;0.04;;-2.54;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM433073;MM433073;CC1C(C(=O)C=O)N1C=N;CGTPNMDYUJLTGS-UHFFFAOYSA-N;140.14;-0.57;;;;;DOPC;MDCG;27;1;"MARTINI bead: SP1_Na";;;;;;;0.04;;-3.69;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM433074;MM433074;NCC(C#CC=CF)CO;JIBFCXQQYOPFQB-UHFFFAOYSA-N;143.16;0.04;;;;;DOPC;MDCG;27;1;"MARTINI bead: P3_C5";;;;;;;-0.33;;-4.02;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM433075;MM433075;C#CCn1nnc(O)n1;HXVWSBYJTOYSCH-UHFFFAOYSA-N;124.1;-0.99;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP1_SP1";;;;;;;-0.79;;-8.62;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM433076;MM433076;C=CC1(C#N)NC1CCF;IOHZCETVIYTJNG-UHFFFAOYSA-N;140.16;0.77;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_SP1";;;;;;;0.81;;-0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM433077;MM433077;CC#CC1CC(OC)CO1;RDRRIQDFZQTSRT-UHFFFAOYSA-N;140.18;0.81;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNa_SC5";;;;;;;1.64;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM433078;MM433078;ON=c1[nH]c(F)c(O)o1;YRDJLSZUCHTQGG-UHFFFAOYSA-N;134.07;-0.26;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP2_SNda";;;;;;;-0.24;;-8.36;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM433079;MM433079;C#CC=C(C#N)CN1CC1;CWMLCXNGPFAQJR-UHFFFAOYSA-N;132.17;0.39;;;;;DOPC;MDCG;27;0;"MARTINI bead: N0_SP1";;;;;;;0.34;;-1.53;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM433080;MM433080;C=CC(=C)C1C(C)N1N=C;GGYRAPHAODBNGV-UHFFFAOYSA-N;136.2;1.42;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP1_C4";;;;;;;1.37;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM433081;MM433081;CCCC1NC1(C=O)C=O;LOQDBQQEEKJIIV-UHFFFAOYSA-N;141.17;-0.11;;;;;DOPC;MDCG;27;0;"MARTINI bead: C3_SP2";;;;;;;1.46;;-0.15;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM433082;MM433082;CC=CC#CC(CN)CF;LHTPSVJRBOQPPI-UHFFFAOYSA-N;141.19;1.11;;;;;DOPC;MDCG;27;1;"MARTINI bead: C4_P1";;;;;;;1.37;;-2.27;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM433083;MM433083;CC#CC1CCC(CC)N1;MKDYRJCEKYSHTM-UHFFFAOYSA-N;137.23;1.54;;;;;DOPC;MDCG;27;1;"MARTINI bead: SN0_SNd";;;;;;;1.17;;-3.98;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM433084;MM433084;C=NN1C(C)C1C(=C)C#N;DMXQXDKMDUGEOM-UHFFFAOYSA-N;135.17;0.75;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP1_N0";;;;;;;0.34;;-1.53;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM433085;MM433085;CN=c1ncon(C)c1=N;PGHXDJWRIKFTRS-UHFFFAOYSA-N;140.15;-0.98;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP3_SP2";;;;;;;-2.2;;-5.19;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM433086;MM433086;C#CC(=CCC)CC1CC1;HQCQWVMBWUUFFO-UHFFFAOYSA-N;134.22;2.76;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1_SC5";;;;;;;3.68;;0.46;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM433087;MM433087;CCCC1NC1(C#N)C#N;PAPGFUBETJETPE-UHFFFAOYSA-N;135.17;0.54;;;;;DOPC;MDCG;27;0;"MARTINI bead: C3_SP2";;;;;;;1.46;;-0.15;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM433088;MM433088;NCC(C#CC=CF)CF;QNZRRFGHCJNVDT-UHFFFAOYSA-N;145.15;1.02;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1_C5";;;;;;;0.81;;-2.81;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM433089;MM433089;CC#CC1CCC(CN)N1;JZYUEDFJNPJUHX-UHFFFAOYSA-N;138.21;0.09;;;;;DOPC;MDCG;27;1;"MARTINI bead: SNd_SP1";;;;;;;0.04;;-5.14;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM433090;MM433090;CON=C(C)NN=C(C)C;YKZVOLWLMGHBBP-UHFFFAOYSA-N;143.19;0.95;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_Nd";;;;;;;0.87;;-1.88;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM433091;MM433091;C#CC(=CCC)CC1CO1;CZZUPOAEIMQLRH-UHFFFAOYSA-N;136.19;1.74;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1_SP1";;;;;;;2.08;;0.48;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM433092;MM433092;C=NNC=NC=CC=CF;JJCGTMDKPHUEPJ-UHFFFAOYSA-N;141.15;1.22;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4_P1";;;;;;;1.37;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM433093;MM433093;N#CC1(C#N)NC1CCO;RBTVSTSVDKGLJF-UHFFFAOYSA-N;137.14;-0.87;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_SP2";;;;;;;-1.06;;-3.82;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM433094;MM433094;CC=CC#CC(CO)CO;RZFPGGNEJSBIIX-UHFFFAOYSA-N;140.18;0.17;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4_P3";;;;;;;0.23;;-1.03;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM433095;MM433095;CC#CC1CCC(CO)N1;QXLSUTUPAPZKMF-UHFFFAOYSA-N;139.2;0.12;;;;;DOPC;MDCG;27;1;"MARTINI bead: SNd_SP1";;;;;;;0.04;;-4.83;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM433096;MM433096;Cn1ocnc(=NO)c1=N;BQJMBJQMLCCFJH-UHFFFAOYSA-N;142.12;-1.22;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP2_SP2";;;;;;;-1.34;;-4.31;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM433097;MM433097;CNc1cnc(NC)nc1;OBKNXFYEJVEQCL-UHFFFAOYSA-N;138.17;0.56;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNd_SNda";;;;;;;0.87;;-1.92;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM433098;MM433098;C#CC(=CCC)CN1CC1;VJPJWXANWGRSOB-UHFFFAOYSA-N;135.21;1.27;;;;;DOPC;MDCG;27;0;"MARTINI bead: C2_SP1";;;;;;;2;;0.31;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM433099;MM433099;N#CC1(C=O)NC1CCF;XGYDGCYHCOOGQX-UHFFFAOYSA-N;142.13;-0.22;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_SP2";;;;;;;0.54;;-1.09;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM433100;MM433100;CC=CC#CC(CO)CF;LZZCKMFVSYWRBP-UHFFFAOYSA-N;142.17;1.14;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4_P1";;;;;;;1.37;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM433101;MM433101;CN=c1ncon(N)c1=N;GBGZZIVRCREDHF-UHFFFAOYSA-N;141.13;-1.8;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP3_SP2";;;;;;;-2.2;;-5.19;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM433102;MM433102;C#CC(=CC=C)CC1CC1;QSWKIERSBDACSM-UHFFFAOYSA-N;132.21;2.53;;;;;DOPC;MDCG;27;0;"MARTINI bead: C3_SC5";;;;;;;3.34;;0.48;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM433103;MM433103;CC#CC1CCC(CF)N1;WYVFVJOBGIPJOY-UHFFFAOYSA-N;141.19;1.1;;;;;DOPC;MDCG;27;1;"MARTINI bead: SNd_SNa";;;;;;;0.87;;-3.14;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM433104;MM433104;N#CC1(C#N)NC1CCF;QOWJLWLFTVOXTP-UHFFFAOYSA-N;139.13;0.1;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_SP2";;;;;;;0.54;;-1.09;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM433105;MM433105;C=CC1C(C)N1C(=N)C=O;CXYXRHLMFAFSTI-UHFFFAOYSA-N;138.17;0.42;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP1_P3";;;;;;;-1.93;;-4.72;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM433106;MM433106;OCC(C#CC=CF)CF;BXGYBXMQAQXAQG-UHFFFAOYSA-N;146.14;1.05;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_C5";;;;;;;0.81;;-0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM433107;MM433107;CC(C=NOC(C)C)=NN;XDMNZISUHBJJLH-UHFFFAOYSA-N;143.19;0.73;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_Nd";;;;;;;0.87;;-1.88;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM433108;MM433108;C#CC(=CC#N)NC1CC1;CNHBXXYCGFILDL-UHFFFAOYSA-N;132.17;0.78;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nd_SC5";;;;;;;1.64;;0.02;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM433109;MM433109;CC#CC1CCC(CC)O1;HWOFIPORPRRXNB-UHFFFAOYSA-N;138.21;1.97;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC5_SC5";;;;;;;2.41;;0.64;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM433110;MM433110;C=CC1(C=C)NC1CNC;FPLQRDDKWXZRST-UHFFFAOYSA-N;138.21;0.29;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1_SNd";;;;;;;0.04;;-4.8;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM433111;MM433111;C=CC1C(C)N1C(=N)C#N;IPDFRLWVKZNWJR-UHFFFAOYSA-N;135.17;0.75;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP1_P2";;;;;;;-1.06;;-3.82;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM433112;MM433112;CC=CC#CC(CF)CF;QFNWYNGDFYNEMC-UHFFFAOYSA-N;144.16;2.12;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4_Na";;;;;;;2.2;;0.34;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM433113;MM433113;N=c1c(=NO)ncon1N;OQOQPIJIRAOYBK-UHFFFAOYSA-N;143.11;-2.04;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP2_SP2";;;;;;;-1.34;;-4.31;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM433114;MM433114;C=CC1(C=C)NC1COC;VJIBMDGVFCKJSM-UHFFFAOYSA-N;139.2;0.72;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_SNd";;;;;;;0.04;;-2.63;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM433115;MM433115;C#CC(=CC#N)OC1CC1;IJZWTOYJVJTPFJ-UHFFFAOYSA-N;133.15;1.21;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_SC5";;;;;;;1.64;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM433116;MM433116;CC#CC1CCC(CN)O1;OEXKBYZSRZRJQB-UHFFFAOYSA-N;139.2;0.52;;;;;DOPC;MDCG;27;1;"MARTINI bead: SC5_SP1";;;;;;;0.81;;-2.56;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM433117;MM433117;C#CC(=C)C1C(C=C)N1C;WEYVYKCOOTZFTN-UHFFFAOYSA-N;133.19;1.04;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNd_N0";;;;;;;1.17;;-1.04;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM433118;MM433118;CCC(C#CC=NN)CC;LSYXBKNLIZLJJM-UHFFFAOYSA-N;138.21;1.37;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1_P1";;;;;;;2.08;;0.48;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM433119;MM433119;CNN(C=O)C(=O)C(C)N;NWCUWSVKWGTNHC-UHFFFAOYSA-N;145.16;-1.55;;;;;DOPC;MDCG;27;0;"MARTINI bead: P3_P1";;;;;;;-1.93;;-4.72;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM433120;MM433120;C=CC1(C#N)NC1COC;XEQKOFGCWOWTBM-UHFFFAOYSA-N;138.17;0.05;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_SP1";;;;;;;-0.79;;-3.13;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM433121;MM433121;CC#CC1CCC(CO)O1;UVBHWSXXHWQEGU-UHFFFAOYSA-N;140.18;0.55;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC5_SP1";;;;;;;0.81;;-0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM433122;MM433122;C#CC(=CC=C)CC1CO1;CBZDSWRSBYPVPW-UHFFFAOYSA-N;134.18;1.52;;;;;DOPC;MDCG;27;0;"MARTINI bead: C3_SP1";;;;;;;1.74;;0.29;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM433123;MM433123;Nc1nncn1N;VVICLQXCPOEFTM-UHFFFAOYSA-N;99.1;-1.43;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP2_SP2";;;;;;;-1.34;;-4.31;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM433124;MM433124;CCC(C#CC=NO)CC;QPKVIMQXIFJSCL-UHFFFAOYSA-N;139.2;1.89;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1_P1";;;;;;;2.08;;0.48;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM433125;MM433125;C=COC(=CNN)N=NC;XZGYGQBLJYPCAC-UHFFFAOYSA-N;142.16;0.49;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4_P3";;;;;;;0.23;;-1.03;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM433126;MM433126;COCC1NC1(C=O)C=O;APXYWAXIAOOOCX-UHFFFAOYSA-N;143.14;-1.26;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_SP2";;;;;;;-1.06;;-3.82;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM433127;MM433127;CC#CC1CCC(CF)O1;SGRGWCUAXMHGKO-UHFFFAOYSA-N;142.17;1.53;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC5_SNa";;;;;;;1.64;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM433128;MM433128;C#CC(=CC#N)CC1CO1;GDWCLVSBMHRERX-UHFFFAOYSA-N;133.15;0.86;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_SP1";;;;;;;0.81;;-0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM433129;MM433129;Cn1ccc(NN)n1;GCQKCJXOYJFHJA-UHFFFAOYSA-N;112.14;-0.29;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNa_SP1";;;;;;;0.04;;-2.54;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM433130;MM433130;N=C(C=NN)NN=CCF;YCXMRCMEVPUIHH-UHFFFAOYSA-N;145.14;-0.55;;;;;DOPC;MDCG;27;0;"MARTINI bead: P3_C5";;;;;;;-0.33;;-2.01;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM433131;MM433131;N=c1c(=NO)ncon1O;KIBYDFJBZNDBKN-UHFFFAOYSA-N;144.09;-1.52;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP2_SP2";;;;;;;-1.34;;-4.31;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM433132;MM433132;CC#CC1CCC(OC)O1;SIDQANQOIYJZBS-UHFFFAOYSA-N;140.18;1.16;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNa_SC5";;;;;;;1.64;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM433133;MM433133;COCC1NC1(C#N)C=O;LRCQNIYOIXLKRJ-UHFFFAOYSA-N;140.14;-0.93;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_SP2";;;;;;;-1.06;;-3.82;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM433134;MM433134;C#CC(=CC=C)CN1CC1;AHTDKJSHTSKURD-UHFFFAOYSA-N;133.19;1.05;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4_SP1";;;;;;;1.37;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM433135;MM433135;C#CC(=C)C1C(C)N1C=N;DOYOZFJBWZVMEW-UHFFFAOYSA-N;134.18;0.86;;;;;DOPC;MDCG;27;1;"MARTINI bead: SP1_N0";;;;;;;0.34;;-3.56;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM433136;MM433136;CCC(C#CC=NO)CF;RGMZXZCEMUDTIY-UHFFFAOYSA-N;143.16;1.45;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4_P1";;;;;;;1.37;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM433137;MM433137;CN=c1ncon(C)c1=O;YFKCOPGSKYEXPQ-UHFFFAOYSA-N;141.13;-1.1;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP3_SP2";;;;;;;-2.2;;-5.19;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM433138;MM433138;CC#CC1COC(CC)O1;DFPOKRYUXGDTNL-UHFFFAOYSA-N;140.18;1.16;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNa_SNa";;;;;;;0.87;;-2.22;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM433139;MM433139;C#CC(=CC#N)CN1CC1;PHTAEJHQAYAUPX-UHFFFAOYSA-N;132.17;0.39;;;;;DOPC;MDCG;27;0;"MARTINI bead: N0_SP1";;;;;;;0.34;;-1.53;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM433140;MM433140;COCC1NC1(C#N)C#N;RHESTWHWIBEPOD-UHFFFAOYSA-N;137.14;-0.61;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_SP2";;;;;;;-1.06;;-3.82;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM433141;MM433141;C#CC(=C)C1C(C)N1C=O;NTRKNXSINYZLTA-UHFFFAOYSA-N;135.17;0.4;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP1_N0";;;;;;;0.34;;-1.53;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM433142;MM433142;NCC(C#CC=NO)CO;IIWBHMYPWRMRKF-UHFFFAOYSA-N;142.16;-0.98;;;;;DOPC;MDCG;27;1;"MARTINI bead: P2_P1";;;;;;;-1.06;;-5.7;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM433143;MM433143;CC1(C#N)CC(C#N)=NN1;KUQWBPRPWPSKQZ-UHFFFAOYSA-N;134.14;0.14;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNd_SP1";;;;;;;0.04;;-2.63;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM433144;MM433144;C#CC=C(C#C)CC1CC1;XBQMYJMHWZWGDE-UHFFFAOYSA-N;130.19;1.98;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4_SC5";;;;;;;2.97;;0.45;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM433145;MM433145;CC#CC1OCC(CC)O1;IWWIETAIFMIADX-UHFFFAOYSA-N;140.18;1.16;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNa_SNa";;;;;;;0.87;;-2.22;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM433146;MM433146;C=CC1(C=C)OC1CCC;FXDREWGBRWWWHB-UHFFFAOYSA-N;138.21;2.3;;;;;DOPC;MDCG;27;0;"MARTINI bead: C3_SNa";;;;;;;2.57;;0.45;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM433147;MM433147;C#CC(=O)C1C(C)N1C=N;TTYPRNVNFHHPSS-UHFFFAOYSA-N;136.15;-0.13;;;;;DOPC;MDCG;27;1;"MARTINI bead: SP1_P1";;;;;;;-0.79;;-4.15;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM433148;MM433148;CC=CC#CC(CC)NC;ZBMLCILZBXPTDH-UHFFFAOYSA-N;137.23;1.56;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_C4";;;;;;;2.2;;-1.31;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM433149;MM433149;Cn1ocnc(=NO)c1=O;YMBWPWQVUGQGMA-UHFFFAOYSA-N;143.1;-1.34;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP3_SP2";;;;;;;-2.2;;-5.19;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM433150;MM433150;C=CC1(C=C)OC1CCO;NDFWSOZNDCMHSP-UHFFFAOYSA-N;140.18;0.88;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_SNa";;;;;;;0.04;;-2.54;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM433151;MM433151;CC#CC1OCC(CN)O1;PZUCLSWGRQIQQF-UHFFFAOYSA-N;141.17;-0.29;;;;;DOPC;MDCG;27;1;"MARTINI bead: SNa_SP2";;;;;;;-0.24;;-5.24;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM433152;MM433152;C#CC=C(C#C)OC1CC1;XQHMDHZRWPPVGI-UHFFFAOYSA-N;132.16;1.32;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_SC5";;;;;;;1.64;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM433153;MM433153;C#CC(=C)C1C(C)N1N=C;NDADALXPNRBALL-UHFFFAOYSA-N;134.18;0.86;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP1_N0";;;;;;;0.34;;-1.53;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM433154;MM433154;CCC(C#CC=CF)NC;BRJQZRYEVNYLSC-UHFFFAOYSA-N;141.19;1.47;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_C5";;;;;;;1.64;;-1.73;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM433155;MM433155;C=CC1(C=C)OC1CCF;QBUQGFCDURFQFN-UHFFFAOYSA-N;142.17;1.86;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_SNa";;;;;;;1.64;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM433156;MM433156;CN=c1ncon(N)c1=O;YNRCHGGKJAMUPC-UHFFFAOYSA-N;142.12;-1.92;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP3_SP2";;;;;;;-2.2;;-5.19;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM433157;MM433157;C#CC=C(C#C)CC1CO1;QBSPLQKWPGBDMO-UHFFFAOYSA-N;132.16;0.97;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4_SP1";;;;;;;1.37;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM433158;MM433158;C=NNC=NCCF;JSAZKFRRWKGDHO-UHFFFAOYSA-N;117.13;0.19;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_P1";;;;;;;0.04;;-2.54;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM433159;MM433159;CC#CC1CCN(CC)C1;FQZXBVDHIANKBQ-UHFFFAOYSA-N;137.23;1.35;;;;;DOPC;MDCG;27;1;"MARTINI bead: SNd_SN0";;;;;;;1.17;;-3.26;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM433160;MM433160;CNC(C#CC=CF)CN;JOHYAUVMTRYYEO-UHFFFAOYSA-N;142.18;0.02;;;;;DOPC;MDCG;27;1;"MARTINI bead: P3_C5";;;;;;;-0.33;;-3.72;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM433161;MM433161;C=CC1(C#N)OC1CCC;BYVHOXQSOBTZMM-UHFFFAOYSA-N;137.18;1.63;;;;;DOPC;MDCG;27;0;"MARTINI bead: C3_SNa";;;;;;;2.57;;0.45;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM433162;MM433162;CCON=C(C)C(C)=NN;ONUOIUXAMCZGER-UHFFFAOYSA-N;143.19;0.73;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_C5";;;;;;;0.81;;-0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM433163;MM433163;CCC(=CC1CO1)CCN;UORCSUYPLXGPEI-UHFFFAOYSA-N;141.21;1.07;;;;;DOPC;MDCG;27;1;"MARTINI bead: C5_SP1";;;;;;;0.81;;-3.24;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM433164;MM433164;C=CC1CCC(C#CC)C1;JVSDNNKYUHNSNQ-UHFFFAOYSA-N;134.22;2.61;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC2_SC2";;;;;;;4.78;;0.59;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM433165;MM433165;C#CC1C(C)C1C(=O)CF;YPJMBDQCJDHXRO-UHFFFAOYSA-N;140.16;1.04;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC5_Na";;;;;;;1.64;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM433166;MM433166;CNC(C#CC=NN)CO;LSYQJOBIAAJGCV-UHFFFAOYSA-N;141.17;-1.49;;;;;DOPC;MDCG;27;1;"MARTINI bead: P2_P1";;;;;;;-1.06;;-4.83;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM433167;MM433167;Nn1ocnc(=NO)c1=O;JAUHGMNTMUQIML-UHFFFAOYSA-N;144.09;-2.16;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP3_SP2";;;;;;;-2.2;;-5.19;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM433168;MM433168;C=CC1(C#N)OC1CCO;KMBNHDILVVKYBL-UHFFFAOYSA-N;139.15;0.22;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_SNa";;;;;;;0.04;;-2.54;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM433169;MM433169;CC#CC1CCC(C#N)C1;QOYGWWZUTWOVLF-UHFFFAOYSA-N;133.19;1.95;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC2_SC5";;;;;;;3.6;;0.34;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM433170;MM433170;C=CCC(=CC1CC1)CC;FQRLOIWOXNNZDN-UHFFFAOYSA-N;136.24;3.31;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1_SC5";;;;;;;3.68;;0.46;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM433171;MM433171;CC=CC#CC(CC)OC;XSTUFIJCTGCOAA-UHFFFAOYSA-N;138.21;1.99;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_C4";;;;;;;2.2;;0.34;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM433172;MM433172;C#CC1C(N)C1C(=C)CO;OCHZBJMONASALT-UHFFFAOYSA-N;137.18;-0.26;;;;;DOPC;MDCG;27;1;"MARTINI bead: SP1_Nda";;;;;;;0.04;;-4.66;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM433173;MM433173;ON=c1ncoc(=NO)[nH]1;QYXFPRSHLRNOBM-UHFFFAOYSA-N;144.09;-1.42;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP3_SP3";;;;;;;-3.07;;-10.27;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM433174;MM433174;C=CC1(C=O)OC1CCF;JANMCBJOJSLTNT-UHFFFAOYSA-N;144.15;0.87;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_SNa";;;;;;;1.64;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM433175;MM433175;C=CC1CC(C#CC)CN1;MDNZDCQUNLWNIS-UHFFFAOYSA-N;135.21;1.17;;;;;DOPC;MDCG;27;1;"MARTINI bead: SN0_SNd";;;;;;;1.17;;-3.87;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM433176;MM433176;N#CCC(=CC1CC1)CO;QVGRYQIJHICVAK-UHFFFAOYSA-N;137.18;1.23;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_SC5";;;;;;;0.81;;-0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM433177;MM433177;CCC(C#CC=CF)OC;KUNAFXUCGPLNDC-UHFFFAOYSA-N;142.17;1.9;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_C5";;;;;;;1.64;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM433178;MM433178;C#CC1C(N)C1C(=C)CF;QAXBDANWRHSHJI-UHFFFAOYSA-N;139.17;0.72;;;;;DOPC;MDCG;27;1;"MARTINI bead: SP1_C4";;;;;;;1.37;;-2.17;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM433179;MM433179;CCCC1OC1(C#N)C#N;HVLLCUALGIPPDS-UHFFFAOYSA-N;136.15;0.97;;;;;DOPC;MDCG;27;0;"MARTINI bead: C3_SP1";;;;;;;1.74;;0.29;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM433180;MM433180;N#CC(=CN)C(F)C(=O)O;XRIRKYVNYOTAII-UHFFFAOYSA-N;144.11;-0.22;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda_P1";;;;;;;0.04;;-8.12;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM433181;MM433181;N#CCC(=CC1CC1)CF;HVFWLPHXGFCMOT-UHFFFAOYSA-N;139.17;2.21;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_SC5";;;;;;;1.64;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM433182;MM433182;CC#CC1CNC(C#N)C1;GPIZNYAIVPMAOY-UHFFFAOYSA-N;134.18;0.51;;;;;DOPC;MDCG;27;0;"MARTINI bead: SN0_SP1";;;;;;;0.34;;-1.53;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM433183;MM433183;C#CC1C(N)C1C(=N)NO;RZZXDNNDSIFXDZ-UHFFFAOYSA-N;139.16;-0.85;;;;;DOPC;MDCG;27;1;"MARTINI bead: SP1_P2";;;;;;;-1.06;;-5.64;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM433184;MM433184;Nn1c(O)nnnc1=O;IHARUTXPGIEKFK-UHFFFAOYSA-N;129.08;-2.55;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP4_SP2";;;;;;;-2.29;;-9.64;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM433185;MM433185;CC=CC#CC(CN)OC;GMBPEXUZHLCVQX-UHFFFAOYSA-N;139.2;0.54;;;;;DOPC;MDCG;27;1;"MARTINI bead: P2_C4";;;;;;;1.09;;-1.97;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM433186;MM433186;N#CC1(C#N)OC1CCO;JTFWVDMPAOYSDN-UHFFFAOYSA-N;138.13;-0.45;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_SP1";;;;;;;-0.79;;-3.13;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM433187;MM433187;C=CCC(=CC1CC1)OC;AQBZBNGLFWUZER-UHFFFAOYSA-N;138.21;2.5;;;;;DOPC;MDCG;27;0;"MARTINI bead: C2_SC5";;;;;;;3.6;;0.34;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM433188;MM433188;C#CC1C(C(=C)CN)N1C;QZVCALMIVHSXBH-UHFFFAOYSA-N;136.2;-0.18;;;;;DOPC;MDCG;27;1;"MARTINI bead: SP1_P1";;;;;;;-0.79;;-5.04;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM433189;MM433189;C=CC1CC(C#CC)CO1;ZMQZTTXZIHLBGK-UHFFFAOYSA-N;136.19;1.6;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC5_SNa";;;;;;;1.64;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM433190;MM433190;COC(C#CC=CF)CO;ICUPITSDWAPUEC-UHFFFAOYSA-N;144.15;0.48;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_C5";;;;;;;0.54;;-1.09;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM433191;MM433191;N#CC1(C=O)OC1CCF;GZZJXGCDXAUUKM-UHFFFAOYSA-N;143.12;0.21;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_SP1";;;;;;;0.81;;-0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM433192;MM433192;CN=c1nnon(O)c1=N;HBGFAFKDXBPFGL-UHFFFAOYSA-N;143.11;-1.88;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP2_SP2";;;;;;;-1.34;;-4.31;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM433193;MM433193;CC1=CC(C)C(C)(O)C1;PFXRBDYMXXTWOB-UHFFFAOYSA-N;126.2;1.72;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC4_SNda";;;;;;;2.2;;0.49;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM433194;MM433194;C=CCC(=CC1CO1)CC;LUUVWNONPMVYSX-UHFFFAOYSA-N;138.21;2.3;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1_SP1";;;;;;;2.08;;0.48;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM433195;MM433195;CC=CC#CC(CF)OC;PFMXPEZZIHNCOR-UHFFFAOYSA-N;142.17;1.55;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_C4";;;;;;;2.2;;0.34;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM433196;MM433196;CC#CC1COC(C=O)C1;VCRFKUOXDJKGOT-UHFFFAOYSA-N;138.17;0.61;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC5_SP1";;;;;;;0.81;;-0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM433197;MM433197;N=c1c(=NN)nnon1O;DKFDDCJPVIJAON-UHFFFAOYSA-N;144.09;-2.64;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP2_SP2";;;;;;;-1.34;;-4.31;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM433198;MM433198;N#CC1(C#N)OC1CCF;SDTWBKHIGQERAE-UHFFFAOYSA-N;140.12;0.53;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_SP1";;;;;;;0.81;;-0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM433199;MM433199;C#CC1C(C(=C)CF)N1C;RUNUCOFRKNHEOZ-UHFFFAOYSA-N;139.17;0.83;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP1_Na";;;;;;;0.04;;-2.54;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM433200;MM433200;C=CC1CCC(C#CC)N1;SYHGSFXHZJGJBM-UHFFFAOYSA-N;135.21;1.32;;;;;DOPC;MDCG;27;1;"MARTINI bead: SN0_SNd";;;;;;;1.17;;-3.18;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM433201;MM433201;COC(C#CC=CF)CF;PQWNKHAYALAINO-UHFFFAOYSA-N;146.14;1.46;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_C5";;;;;;;1.64;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM433202;MM433202;C=CCC(CC)=NN1CC1;RAVBFCSRAMKFDE-UHFFFAOYSA-N;138.21;1.64;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_SP2";;;;;;;0.54;;-1.09;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM433203;MM433203;N=c1c(=NO)nnon1O;IMLQGAIBFDDPIM-UHFFFAOYSA-N;145.08;-2.12;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP2_SP2";;;;;;;-1.34;;-4.31;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM433204;MM433204;C=CC1(C=C)OC1COC;ZIPXPADOGFABCN-UHFFFAOYSA-N;140.18;1.14;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_SNa";;;;;;;0.04;;-2.54;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM433205;MM433205;C#CC1C(C(=O)CC)N1C;MEVPNWATCWYAID-UHFFFAOYSA-N;137.18;0.28;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_SP1";;;;;;;0.04;;-2.54;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM433206;MM433206;CC#CC1CCC(C#N)N1;VCLDVWBKEIHQAJ-UHFFFAOYSA-N;134.18;0.65;;;;;DOPC;MDCG;27;0;"MARTINI bead: SN0_SP1";;;;;;;0.34;;-1.53;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM433207;MM433207;N#CCC(CO)=NN1CC1;UFCLXOYBRJCRBQ-UHFFFAOYSA-N;139.16;-0.44;;;;;DOPC;MDCG;27;0;"MARTINI bead: P3_SP2";;;;;;;-2.2;;-5.19;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM433208;MM433208;C=c1[nH]cnc(=NN)c1=C;DPAJYGCPLNKUJH-UHFFFAOYSA-N;136.16;-2;;;;;DOPC;MDCG;27;1;"MARTINI bead: SP2_SP2";;;;;;;-1.34;;-5.62;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM433209;MM433209;CCC(C#CC=NN)OC;PLWYOZNGFWQIJJ-UHFFFAOYSA-N;140.19;0.36;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_Nda";;;;;;;1.64;;0.05;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM433210;MM433210;C=CC1(C=O)OC1COC;AEUFLZDEBTXQFQ-UHFFFAOYSA-N;142.15;0.16;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_SNa";;;;;;;0.04;;-2.54;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM433211;MM433211;C#CC1C(C(=N)NC)N1C;UFTHHMIHOIFISM-UHFFFAOYSA-N;137.19;-0.5;;;;;DOPC;MDCG;27;1;"MARTINI bead: P3_SP1";;;;;;;-1.93;;-7.95;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM433212;MM433212;C=CC1CCC(C#CC)O1;VMKYNORSQKZDKS-UHFFFAOYSA-N;136.19;1.74;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC5_SN0";;;;;;;1.94;;0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM433213;MM433213;N=CNC(=NN1CC1)NN;QLTFBOQCAVFYIU-UHFFFAOYSA-N;142.17;-1.77;;;;;DOPC;MDCG;27;1;"MARTINI bead: P4_SP2";;;;;;;-2.29;;-8.04;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM433214;MM433214;Cc1nnoc(=NN)c1O;VQPMJZBGESSOBV-UHFFFAOYSA-N;142.12;-1.14;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP1_SP2";;;;;;;-1.06;;-3.82;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM433215;MM433215;CCC(C#CC=NO)OC;XDMTZXOUOQFSMH-UHFFFAOYSA-N;141.17;0.87;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4_P1";;;;;;;1.37;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM433216;MM433216;C=CC1(C#N)OC1COC;JNNMWKVOTCIOFP-UHFFFAOYSA-N;139.15;0.48;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_SNa";;;;;;;0.04;;-2.54;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM433217;MM433217;C#CCC(=CC1CC1)CF;XOZGOZVHHKIEGA-UHFFFAOYSA-N;138.19;2.32;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4_SC5";;;;;;;2.97;;0.45;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM433218;MM433218;C#CC1C(C(=N)NN)N1C;MOHISGMQWSYVFX-UHFFFAOYSA-N;138.17;-1.26;;;;;DOPC;MDCG;27;1;"MARTINI bead: SP1_P4";;;;;;;-2.01;;-6.75;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM433219;MM433219;CC#CC1CCC(C=O)O1;KRNDIPCBODWCOU-UHFFFAOYSA-N;138.17;0.76;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC5_SP1";;;;;;;0.81;;-0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM433220;MM433220;CN=C(C#N)NC(=O)C=O;FWAHFMFDZREYAQ-UHFFFAOYSA-N;139.11;-1.15;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_Na";;;;;;;-0.24;;-8.45;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM433221;MM433221;COC(C#CC=NO)CN;GVSOXHPGMYPTHA-UHFFFAOYSA-N;142.16;-0.58;;;;;DOPC;MDCG;27;1;"MARTINI bead: P2_P1";;;;;;;-1.06;;-5.32;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM433222;MM433222;COCC1OC1(C#N)C=O;WYXQLYDRSGOLQV-UHFFFAOYSA-N;141.13;-0.51;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_SP1";;;;;;;-0.79;;-3.13;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM433223;MM433223;C#CCC(=CC1CC1)OC;YAYVAVCHDMPKMY-UHFFFAOYSA-N;136.19;1.95;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_SC5";;;;;;;2.41;;0.64;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM433224;MM433224;CC1=CCC(C)(O)C1C;OFACWVBMNQKUMH-UHFFFAOYSA-N;126.2;1.72;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC2_SNda";;;;;;;2.83;;0.57;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM433225;MM433225;N#CCOC(CO)C(=O)O;HXVDWCGVUIOUIC-UHFFFAOYSA-N;145.11;-1.03;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_P1";;;;;;;-1.06;;-8.94;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM433226;MM433226;CC#CC1CCC(C#N)O1;RURCOADVBDNQIV-UHFFFAOYSA-N;135.17;1.08;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC5_SP1";;;;;;;0.81;;-0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM433227;MM433227;COC(C#CC=NO)CO;GPZLQEHVFDLSNX-UHFFFAOYSA-N;143.14;-0.54;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_P1";;;;;;;-1.06;;-3.82;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM433228;MM433228;COCC1OC1(C#N)C#N;GRQIMYIDQCDNMO-UHFFFAOYSA-N;138.13;-0.18;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_SP1";;;;;;;-0.79;;-3.13;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM433229;MM433229;C#CC1C(C(=C)OC)N1C;FTILZUPTEFKILN-UHFFFAOYSA-N;137.18;0.46;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_SP1";;;;;;;0.04;;-2.54;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM433230;MM433230;C#CCC(=CC1CN1)CN;BOWCZIOQABDOJZ-UHFFFAOYSA-N;136.2;-0.13;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_SP2";;;;;;;-0.24;;-5.37;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM433231;MM433231;CC#CC1CCN(C=N)C1;YKDBQRCFDNQWRE-UHFFFAOYSA-N;136.2;0.94;;;;;DOPC;MDCG;27;1;"MARTINI bead: SN0_SP1";;;;;;;0.34;;-5.46;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM433232;MM433232;CCn1ccnc(C)c1=N;YCVAJXQACNRRCE-UHFFFAOYSA-N;137.19;0.69;;;;;DOPC;MDCG;27;1;"MARTINI bead: SP2_SNa";;;;;;;-0.24;;-5.74;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM433233;MM433233;C=CC1(C=C)CN1CCC;JFEXHYPFYMUHDA-UHFFFAOYSA-N;137.23;1.82;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nd_SP1";;;;;;;0.04;;-2.63;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM433234;MM433234;CNN=C(C)C(C)=NOC;GQGOFVWOASVDIG-UHFFFAOYSA-N;143.19;0.6;;;;;DOPC;MDCG;27;0;"MARTINI bead: P3_C4";;;;;;;0.23;;-1.03;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM433235;MM433235;C#CCC(=CC1CO1)CO;SFVDAYVAMWHFTF-UHFFFAOYSA-N;138.17;0.33;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda_SP1";;;;;;;0.04;;-2.73;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM433236;MM433236;CC#CC1CCN(C=O)C1;NSIICIBXWDNVBC-UHFFFAOYSA-N;137.18;0.49;;;;;DOPC;MDCG;27;0;"MARTINI bead: SN0_SP1";;;;;;;0.34;;-1.53;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM433237;MM433237;C#CC1C(C)N1C(=N)NN;XCFUPHMBQHIRJL-UHFFFAOYSA-N;138.17;-0.91;;;;;DOPC;MDCG;27;1;"MARTINI bead: SP2_P4";;;;;;;-2.29;;-8.82;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM433238;MM433238;CCn1cnnc(C)c1=N;FDXGJTQZQYAZBO-UHFFFAOYSA-N;138.17;0.09;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP2_SP2";;;;;;;-1.34;;-4.31;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM433239;MM433239;C=CC1(C=C)CN1CCN;VVQAVDLQSXFOBV-UHFFFAOYSA-N;138.21;0.37;;;;;DOPC;MDCG;27;1;"MARTINI bead: P4_SP1";;;;;;;-2.01;;-7.04;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM433240;MM433240;CC=CC#CC(OC)OC;JYRBWGFUJIWLGY-UHFFFAOYSA-N;140.18;1.18;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_C4";;;;;;;1.37;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM433241;MM433241;C#CCC(=CC1CO1)CF;HNPCIKFLGFBCGY-UHFFFAOYSA-N;140.16;1.3;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4_SP1";;;;;;;1.37;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM433242;MM433242;C#CC1C(C)C1C(=O)C#N;JHKMIGMZPXQFPO-UHFFFAOYSA-N;133.15;0.59;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC5_P1";;;;;;;0.81;;-0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM433243;MM433243;C=NN1CCC(C#CC)C1;AJLBHNUGVZNUMD-UHFFFAOYSA-N;136.2;0.95;;;;;DOPC;MDCG;27;0;"MARTINI bead: SN0_SP1";;;;;;;0.34;;-1.53;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM433244;MM433244;C=C(C)N=CN=C(N)C=O;LEUPRBSXMNFQDR-UHFFFAOYSA-N;139.16;0.1;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nd_P2";;;;;;;-0.24;;-3.16;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM433245;MM433245;CCn1nccc(N)c1=N;RSPBDCBIKMUGNA-UHFFFAOYSA-N;138.17;-0.04;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP1_SP1";;;;;;;-0.79;;-3.13;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM433246;MM433246;COC(C#CC=CF)OC;VFBZAMIZGVSFTJ-UHFFFAOYSA-N;144.15;1.09;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_C5";;;;;;;0.81;;-0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM433247;MM433247;C#CCC(CC)=NN1CC1;SLOIXQMTWSOSPJ-UHFFFAOYSA-N;136.2;1.09;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_SP2";;;;;;;0.54;;-1.09;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM433248;MM433248;C#CC1C(N)C1C(=C)C=C;AVLRWDBLVFXHDM-UHFFFAOYSA-N;133.19;0.94;;;;;DOPC;MDCG;27;1;"MARTINI bead: SP1_C3";;;;;;;1.74;;-1.56;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM433249;MM433249;CC#CC1CNN(C=N)C1;OJMUMFZBWVMEKM-UHFFFAOYSA-N;137.19;0.05;;;;;DOPC;MDCG;27;1;"MARTINI bead: SP1_SP3";;;;;;;-1.93;;-6.89;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM433250;MM433250;CCn1ncnc(C)c1=N;GIXXCMQGARMPAY-UHFFFAOYSA-N;138.17;0.09;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP2_SP2";;;;;;;-1.34;;-4.31;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM433251;MM433251;C=CC1(C=C)CN1CCF;WBYDTYALNHHNKS-UHFFFAOYSA-N;141.19;1.38;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_SP1";;;;;;;-1.06;;-3.82;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM433252;MM433252;C=CC(C#CC=CC)CC;QXVWTKBPMGIEBO-UHFFFAOYSA-N;134.22;2.78;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1_C4";;;;;;;4.24;;0.42;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM433253;MM433253;CC(=O)N=C(C)N1CC1;YSGQBEUGXIIGBC-UHFFFAOYSA-N;126.16;0.27;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_SNd";;;;;;;-0.24;;-3.16;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM433254;MM433254;CC#CC1CNN(C=O)C1;XBYUTLWIBBVIQX-UHFFFAOYSA-N;138.17;-0.4;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP1_SP2";;;;;;;-1.06;;-3.82;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM433255;MM433255;CCC1(O)CC=C(C)C1;SYCUAMDLOFFRML-UHFFFAOYSA-N;126.2;1.87;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC5_SC4";;;;;;;2.97;;0.45;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM433256;MM433256;CCn1nnnc(C)c1=N;SMIQCBDUJBZFJJ-UHFFFAOYSA-N;139.16;-0.52;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP2_SP1";;;;;;;-1.06;;-3.82;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM433257;MM433257;C=CC1(C#N)CN1CCC;URGHMPLPMFTQDA-UHFFFAOYSA-N;136.2;1.16;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nd_SP1";;;;;;;0.04;;-2.63;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM433258;MM433258;C=CC(C#CC=CF)CC;ZWSHNVBOOLBARW-UHFFFAOYSA-N;138.19;2.69;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1_C5";;;;;;;3.68;;0.46;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM433259;MM433259;C#CCC(=NN1CC1)OC;DIDNBWYIPIWKRB-UHFFFAOYSA-N;138.17;0.29;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_SP2";;;;;;;-0.24;;-3.24;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM433260;MM433260;C#CC1C(C(=C)C=C)N1C;RDKXGANIXPYYKU-UHFFFAOYSA-N;133.19;1.04;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP1_C4";;;;;;;1.37;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM433261;MM433261;CC#CC1CON(C=O)C1;JVUBRGRPZQLBRG-UHFFFAOYSA-N;139.15;0.03;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP1_SP2";;;;;;;-1.06;;-3.82;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM433262;MM433262;Cc1nncn(C=O)c1=N;LIYZYURJFROXNO-UHFFFAOYSA-N;138.13;-0.9;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP2_SP3";;;;;;;-2.2;;-5.19;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM433263;MM433263;C=CC1(C#N)CN1CCF;OBGVTGVOQNWLRW-UHFFFAOYSA-N;140.16;0.72;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_SP1";;;;;;;-1.06;;-3.82;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM433264;MM433264;CC=CC#CC(C=O)CC;GGJVDPDWPOIVHL-UHFFFAOYSA-N;136.19;1.79;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_C4";;;;;;;2.97;;0.45;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM433265;MM433265;CCCC(C#N)=CC1CN1;NKQYTMFMYGMWPJ-UHFFFAOYSA-N;136.2;1.21;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4_SP2";;;;;;;1.09;;-0.37;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM433266;MM433266;CC#CC1CCN(C=N)N1;UZPCVOLKESYNAH-UHFFFAOYSA-N;137.19;0.2;;;;;DOPC;MDCG;27;1;"MARTINI bead: SP1_SP3";;;;;;;-1.93;;-7.08;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM433267;MM433267;C#CC1C(C(=O)C=C)N1C;SEIBRNZLDRMNSN-UHFFFAOYSA-N;135.17;0.06;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP1_Na";;;;;;;0.04;;-2.54;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM433268;MM433268;C=Cn1ncnc(C)c1=N;JGNNEPOUCUVQFK-UHFFFAOYSA-N;136.16;0.17;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP2_SP3";;;;;;;-2.2;;-5.19;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM433269;MM433269;CCCN1CC1(C#N)C=O;SERLEELLGSJGAI-UHFFFAOYSA-N;138.17;0.17;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nd_SP2";;;;;;;-0.24;;-3.16;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM433270;MM433270;CCCC(C#N)=CC1CO1;BRXXUBMYHIHBLW-UHFFFAOYSA-N;137.18;1.64;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4_SP1";;;;;;;1.37;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM433271;MM433271;CC=CC#CC(C#N)CC;INNMOTJAYDMDMA-UHFFFAOYSA-N;133.19;2.12;;;;;DOPC;MDCG;27;0;"MARTINI bead: N0_C4";;;;;;;2.5;;0.44;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM433272;MM433272;CC#CC1CCN(C=O)N1;ZDTFQAXQGQGHSG-UHFFFAOYSA-N;138.17;-0.26;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP1_SP2";;;;;;;-1.06;;-3.82;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM433273;MM433273;CCC(C)(O)CC1CC1;OSSYVBFBVZNDRV-UHFFFAOYSA-N;128.22;1.95;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda_SC5";;;;;;;1.64;;0.05;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM433274;MM433274;Cc1ncnn(C=O)c1=N;GDRZYPKFBFFGTF-UHFFFAOYSA-N;138.13;-0.9;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP2_SP3";;;;;;;-2.2;;-5.19;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM433275;MM433275;CCCN1CC1(C#N)C#N;DZICOOTYSOURMA-UHFFFAOYSA-N;135.17;0.5;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nd_SP2";;;;;;;-0.24;;-3.16;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM433276;MM433276;CCC(C#CC=CF)C=O;UOWIODZNLSTWHX-UHFFFAOYSA-N;140.16;1.7;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_C5";;;;;;;2.41;;0.64;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM433277;MM433277;C=CC(CCC)=NN1CC1;FQPPIZGQNQKQER-UHFFFAOYSA-N;138.21;1.64;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4_SP2";;;;;;;1.09;;-0.38;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM433278;MM433278;Cc1nnnn(C=N)c1=N;IMKDCXAXINUNIA-UHFFFAOYSA-N;138.13;-1.08;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP1_SP3";;;;;;;-1.93;;-4.72;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM433279;MM433279;C#CC1CCC(C#CC)C1;DEJYGIDKGIOMQR-UHFFFAOYSA-N;132.21;2.06;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC2_SC4";;;;;;;4.16;;0.44;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM433280;MM433280;C#CC1C(C)N1C(=N)C=C;WWANVUJCARKLAL-UHFFFAOYSA-N;134.18;0.86;;;;;DOPC;MDCG;27;1;"MARTINI bead: SP2_P2";;;;;;;-1.34;;-5.83;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM433281;MM433281;N#CC1(C#N)CN1CCO;PPLDWAIPDDRMIR-UHFFFAOYSA-N;137.14;-0.92;;;;;DOPC;MDCG;27;0;"MARTINI bead: P3_SP2";;;;;;;-2.2;;-5.19;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM433282;MM433282;C=CCC(C=C)=CC1CC1;QXFORJGQMNCURH-UHFFFAOYSA-N;134.22;3.08;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1_SC5";;;;;;;3.68;;0.46;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM433283;MM433283;CCC(C#N)C#CC=CF;XWNVXVWFDGOICE-UHFFFAOYSA-N;137.16;2.02;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_C4";;;;;;;2.97;;0.45;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM433284;MM433284;C#CC1CC(C#CC)CO1;NLBYAOYTRZKFMD-UHFFFAOYSA-N;134.18;1.05;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC5_SNa";;;;;;;1.64;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM433285;MM433285;Cc1nnnn(C=O)c1=N;JXOCXEDDNQOZEP-UHFFFAOYSA-N;139.12;-1.5;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP1_SP3";;;;;;;-1.93;;-4.72;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM433286;MM433286;C#CC1C(C)N1C(=N)C#N;PHDRKOLELUKROF-UHFFFAOYSA-N;133.15;0.19;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP2_P2";;;;;;;-1.34;;-4.31;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM433287;MM433287;N#CC1(C=O)CN1CCF;SIHCMMVXAUZWJP-UHFFFAOYSA-N;142.13;-0.27;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_SP2";;;;;;;-1.34;;-4.31;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM433288;MM433288;C=CC(C#CC=CC)CN;MLZYWJIROBRPRG-UHFFFAOYSA-N;135.21;1.33;;;;;DOPC;MDCG;27;1;"MARTINI bead: C4_Nd";;;;;;;2.2;;-1.8;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM433289;MM433289;C=CC(=CC1CC1)CC#N;YEDACZTWSJFCTN-UHFFFAOYSA-N;133.19;2.42;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4_SC5";;;;;;;2.97;;0.45;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM433290;MM433290;C#CC1CCC(C#CC)N1;NWAHUYOUWHRKPP-UHFFFAOYSA-N;133.19;0.76;;;;;DOPC;MDCG;27;1;"MARTINI bead: SN0_SNd";;;;;;;1.17;;-2.64;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM433291;MM433291;CN=c1cccc(C)n1C;VWENRTZXWSJIRG-UHFFFAOYSA-N;136.2;0.86;;;;;DOPC;MDCG;27;1;"MARTINI bead: SN0_SN0";;;;;;;1.47;;-5.18;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM433292;MM433292;C#CC1C(C)N1C(=O)C=O;FOZVALSKPONLDT-UHFFFAOYSA-N;137.14;-0.58;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP2_P3";;;;;;;-2.2;;-5.19;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM433293;MM433293;C=CC(C#CC=CF)CN;MLRGTLQMWVKFGQ-UHFFFAOYSA-N;139.17;1.23;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_C5";;;;;;;1.64;;-2.26;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM433294;MM433294;C=CCC(C=O)=CC1CC1;XXXORVFGGKUHKY-UHFFFAOYSA-N;136.19;2.1;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_SC5";;;;;;;2.41;;0.64;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM433295;MM433295;N#CC1(C#N)CN1CCF;JVQRAWCOFZBGIV-UHFFFAOYSA-N;139.13;0.06;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_SP2";;;;;;;-1.34;;-4.31;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM433296;MM433296;C#CC1CCC(C#CC)O1;PWQSLDIDLCLOAQ-UHFFFAOYSA-N;134.18;1.19;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC5_SNa";;;;;;;1.64;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM433297;MM433297;Cc1cccc(=NN)n1C;GLBUPYPEMJAMMW-UHFFFAOYSA-N;137.19;0.11;;;;;DOPC;MDCG;27;1;"MARTINI bead: SN0_SNd";;;;;;;1.17;;-4.11;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM433298;MM433298;C#CC1C(C)N1C(=O)C#N;GSBYZUFICHPFTJ-UHFFFAOYSA-N;134.14;-0.26;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP2_P3";;;;;;;-2.2;;-5.19;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM433299;MM433299;C=CC(C#CC=CC)CO;JMBRCEXZJSBRCV-UHFFFAOYSA-N;136.19;1.36;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4_Nda";;;;;;;2.2;;0.49;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM433300;MM433300;C#CC1OCC(C#CC)O1;QGJPGAZNOYOHAV-UHFFFAOYSA-N;136.15;0.38;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNa_SP1";;;;;;;0.04;;-2.54;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM433301;MM433301;N#CCC(C=O)=CC1CC1;NOUMOGDOORYFCZ-UHFFFAOYSA-N;135.17;1.44;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_SC5";;;;;;;1.64;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM433302;MM433302;C=CCC1CC1(C=C)C=C;CFYAVUZNTKBNHY-UHFFFAOYSA-N;134.22;2.94;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4_SC4";;;;;;;3.53;;0.53;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM433303;MM433303;CN=c1cccc(N)n1C;MTSQULMKFMWRKL-UHFFFAOYSA-N;137.19;0.14;;;;;DOPC;MDCG;27;1;"MARTINI bead: SN0_SNd";;;;;;;1.17;;-6.97;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM433304;MM433304;C#CC(=C)C1C(N)C1C#C;MGEQIOLVDNGRFE-UHFFFAOYSA-N;131.18;0.38;;;;;DOPC;MDCG;27;1;"MARTINI bead: SP1_C5";;;;;;;0.81;;-2.7;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM433305;MM433305;C=CC(C#CC=CF)CO;QBHZJPKLEMOXPK-UHFFFAOYSA-N;140.16;1.27;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda_C5";;;;;;;1.64;;0.05;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM433306;MM433306;CC=C1CCC(CCC)C1;OBSLOGQFUFFKLJ-UHFFFAOYSA-N;138.25;3.53;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC1_SC1";;;;;;;4.95;;0.69;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM433307;MM433307;N#CCC(C#N)=CC1CC1;SACUCPHDRGLWMS-UHFFFAOYSA-N;132.17;1.76;;;;;DOPC;MDCG;27;0;"MARTINI bead: N0_SC5";;;;;;;1.94;;0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM433308;MM433308;C=CC1(C=C)CC1CC=O;HKOXAZDYPXXYJT-UHFFFAOYSA-N;136.19;1.95;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC4_Na";;;;;;;2.2;;0.34;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM433309;MM433309;Cn1c(N)cccc1=NN;MDPIFVFIYSBORV-UHFFFAOYSA-N;138.17;-0.62;;;;;DOPC;MDCG;27;1;"MARTINI bead: SNd_SNd";;;;;;;0.87;;-6.41;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM433310;MM433310;C#CC(=C)C1C(C#C)N1C;MYSZJXGDQONUOR-UHFFFAOYSA-N;131.18;0.49;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP1_N0";;;;;;;0.34;;-1.53;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM433311;MM433311;CC=C1CCC(CCN)C1;JMGSVEMAJIVJMB-UHFFFAOYSA-N;139.24;2.08;;;;;DOPC;MDCG;27;1;"MARTINI bead: SC1_SC5";;;;;;;3.68;;0.56;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM433312;MM433312;CC=CC#CC(C=O)CO;CZDNDSQJNVSNRW-UHFFFAOYSA-N;138.17;0.37;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4_P2";;;;;;;1.09;;-0.38;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM433313;MM433313;C=COC(C=C)=CC1CC1;GMUGIDRMXNVJKQ-UHFFFAOYSA-N;136.19;2.63;;;;;DOPC;MDCG;27;0;"MARTINI bead: C3_SC5";;;;;;;3.34;;0.48;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM433314;MM433314;C=CC1(C=C)CC1CC#N;XTNVZONINXXPSK-UHFFFAOYSA-N;133.19;2.28;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC4_P1";;;;;;;1.37;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM433315;MM433315;Cn1c(O)cccc1=NN;OUQANBOYSMAGQK-UHFFFAOYSA-N;139.16;-0.49;;;;;DOPC;MDCG;27;1;"MARTINI bead: SNda_SNd";;;;;;;0.87;;-3.27;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM433316;MM433316;C=NNC(=N)CC#CC;NISVZGHDRLZPJR-UHFFFAOYSA-N;123.16;0.58;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4_P2";;;;;;;1.09;;-0.37;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM433317;MM433317;N#CCC(C#N)=CC1CN1;RUMYGXHMLCMMMQ-UHFFFAOYSA-N;133.15;0.32;;;;;DOPC;MDCG;27;0;"MARTINI bead: N0_SP2";;;;;;;0.06;;-2.21;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM433318;MM433318;CC=CC#CC(C#N)CO;UPXVXNWLQJKSGP-UHFFFAOYSA-N;135.17;0.7;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4_P2";;;;;;;1.09;;-0.38;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM433319;MM433319;NCCC1CCC(=CF)C1;LZMYWHGRLUZGFJ-UHFFFAOYSA-N;143.21;1.99;;;;;DOPC;MDCG;27;1;"MARTINI bead: SC5_SC4";;;;;;;2.97;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM433320;MM433320;C=CCC1CC1(C#N)C=C;RXVXKECJZGEBKI-UHFFFAOYSA-N;133.19;2.28;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4_SN0";;;;;;;2.5;;0.44;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM433321;MM433321;Cn1c(O)cccc1=NO;ZBZNSUXWMHXVFJ-UHFFFAOYSA-N;140.14;0.02;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNda_SNda";;;;;;;0.87;;-2.07;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM433322;MM433322;C#CC(=O)N1C(C)C1C#C;OXVQMOMPOSPTFH-UHFFFAOYSA-N;133.15;-0.15;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP2_P2";;;;;;;-1.34;;-4.31;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM433323;MM433323;C=CCC(C=C)=CC1CO1;VDEAGMQUAGZUNM-UHFFFAOYSA-N;136.19;2.07;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1_SP1";;;;;;;2.08;;0.48;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM433324;MM433324;O=CC(C#CC=CF)CO;PSSIWZTYMWQXHE-UHFFFAOYSA-N;142.13;0.28;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_C5";;;;;;;0.54;;-1.09;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM433325;MM433325;CC=C1CCC(CNC)C1;HIFHMVCYVNPILL-UHFFFAOYSA-N;139.24;1.95;;;;;DOPC;MDCG;27;1;"MARTINI bead: SC5_SC1";;;;;;;3.68;;0.47;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM433326;MM433326;C=CC1(C=O)CC1CC=O;UWLMMCSBUIOOOP-UHFFFAOYSA-N;138.17;0.97;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNa_Na";;;;;;;0.87;;-2.22;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM433327;MM433327;CN=c1cccc(F)n1C;ZDJQOQRSJUDWKW-UHFFFAOYSA-N;140.16;0.69;;;;;DOPC;MDCG;27;1;"MARTINI bead: SN0_SNa";;;;;;;1.17;;-3.28;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM433328;MM433328;CC=C(C)C1C(C)C1CC;GUMZWXPHLGNRSO-UHFFFAOYSA-N;138.25;3.24;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC3_C1";;;;;;;4.61;;0.31;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM433330;MM433330;C=CC(C#CC=CC)CF;AJDMBZDYKXYWRG-UHFFFAOYSA-N;138.19;2.34;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4_C5";;;;;;;2.97;;0.45;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM433329;MM433329;C=CC(=CC1CO1)CC#N;ISIKJKYGOILQHB-UHFFFAOYSA-N;135.17;1.41;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4_SP1";;;;;;;1.37;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM433331;MM433331;NCCC1CCC(=NO)C1;OAYVZAZUCGCSHF-UHFFFAOYSA-N;142.2;0.97;;;;;DOPC;MDCG;27;1;"MARTINI bead: SC5_SNda";;;;;;;1.64;;-2.63;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM433332;MM433332;Cn1c(F)cccc1=NO;GICNFHQZFWBQEM-UHFFFAOYSA-N;142.13;0.45;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNa_SNda";;;;;;;0.87;;-1.99;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM433333;MM433333;C=CC1(C#N)CC1CC=O;UANPWPGXHHHSAG-UHFFFAOYSA-N;135.17;1.29;;;;;DOPC;MDCG;27;0;"MARTINI bead: SN0_Na";;;;;;;1.17;;-1.18;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM433334;MM433334;CCC1C(C)C1C(C)=CF;AVSXRRDMRPECQH-UHFFFAOYSA-N;142.22;3.15;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC3_C4";;;;;;;3.9;;0.47;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM433335;MM433335;C=CC(C#CC=CF)CF;UZBCLSSKGXWKPB-UHFFFAOYSA-N;142.15;2.24;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_C5";;;;;;;2.41;;0.64;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM433336;MM433336;CC=C1CCC(NCC)C1;AUWYOTAOTBTOKB-UHFFFAOYSA-N;139.24;2.09;;;;;DOPC;MDCG;27;1;"MARTINI bead: SC5_SC1";;;;;;;3.68;;0.48;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM433337;MM433337;C=CCC(C=O)=CC1CO1;KQQNQAZNTPZESM-UHFFFAOYSA-N;138.17;1.09;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_SP1";;;;;;;0.81;;-0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM433338;MM433338;C=CC1(C#N)CC1CC#N;TYERXSPCEIQCDG-UHFFFAOYSA-N;132.17;1.62;;;;;DOPC;MDCG;27;0;"MARTINI bead: SN0_P1";;;;;;;0.34;;-1.53;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM433339;MM433339;CN=c1cccc(C)n1N;SIVYOEJCAMWBJX-UHFFFAOYSA-N;137.19;0.04;;;;;DOPC;MDCG;27;1;"MARTINI bead: SNd_SN0";;;;;;;1.17;;-3.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM433340;MM433340;CC=CC#CC(C=O)CF;MQKDCPZCBWZCBH-UHFFFAOYSA-N;140.16;1.35;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4_P1";;;;;;;1.37;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM433341;MM433341;CC(=CF)C1C(C)C1CN;ZSCVDVZSGWBNGI-UHFFFAOYSA-N;143.21;1.7;;;;;DOPC;MDCG;27;1;"MARTINI bead: SNd_C4";;;;;;;2.2;;-2.2;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM433342;MM433342;CCNC1CCC(=NN)C1;GDVCBILQRGLNTJ-UHFFFAOYSA-N;141.22;0.46;;;;;DOPC;MDCG;27;1;"MARTINI bead: SC5_SNd";;;;;;;1.64;;-2.63;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM433343;MM433343;N#CCC(C#N)=CC1CO1;OLMGJADGSMGYPJ-UHFFFAOYSA-N;134.14;0.75;;;;;DOPC;MDCG;27;0;"MARTINI bead: N0_SP1";;;;;;;0.34;;-1.53;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM433344;MM433344;C=CCC1CC1(C#N)C=O;FDKYAZOHUSFEHQ-UHFFFAOYSA-N;135.17;1.29;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4_SNa";;;;;;;2.2;;0.34;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM433345;MM433345;CC=CC#CC(C#N)CF;KZMMQCVNMULUEQ-UHFFFAOYSA-N;137.16;1.68;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4_Na";;;;;;;2.2;;0.34;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM433346;MM433346;CC(=CF)C1C(C)C1CF;PMLOMTGNWPKHPM-UHFFFAOYSA-N;146.18;2.71;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC5_C4";;;;;;;2.97;;0.45;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM433347;MM433347;CN=c1cccc(N)n1N;XLAKHXHNOSUYEG-UHFFFAOYSA-N;138.17;-0.69;;;;;DOPC;MDCG;27;1;"MARTINI bead: SNd_SNd";;;;;;;0.87;;-6.4;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM433348;MM433348;CCCC1CN=C(NC)C1;TVENOEJZKGTALW-UHFFFAOYSA-N;140.23;1.42;;;;;DOPC;MDCG;27;1;"MARTINI bead: SC4_SNd";;;;;;;2.2;;-3.72;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM433349;MM433349;C=COC(C=C)=CC1CO1;GYLBYRIAJIRKQK-UHFFFAOYSA-N;138.17;1.62;;;;;DOPC;MDCG;27;0;"MARTINI bead: C3_SP1";;;;;;;1.74;;0.29;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM433350;MM433350;C=CCC1CC1(C#N)C#N;GNHXHCRNQUKALA-UHFFFAOYSA-N;132.17;1.62;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4_SP1";;;;;;;1.37;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM433351;MM433351;O=CC(C#CC=CF)CF;HKFMTJNQUMNHKL-UHFFFAOYSA-N;144.12;1.26;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_C5";;;;;;;0.81;;-0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM433352;MM433352;CCC1C(C)C1C(C)=NO;VWHBJXRWKDVLGM-UHFFFAOYSA-N;141.21;2.13;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC3_Nda";;;;;;;2.57;;0.44;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM433353;MM433353;NN=c1cccc(N)n1N;SLTYKYWQQXUCPQ-UHFFFAOYSA-N;139.16;-1.44;;;;;DOPC;MDCG;27;1;"MARTINI bead: SNd_SNd";;;;;;;0.87;;-4.27;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM433354;MM433354;CN=C1CC(CCN)CN1;XSIBSPJYRUMIAL-UHFFFAOYSA-N;141.22;-0.03;;;;;DOPC;MDCG;27;1;"MARTINI bead: SNd_SP1";;;;;;;0.04;;-6.92;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM433355;MM433355;C=CCC(C=O)=CN1CC1;FQKNZNAJHWWVLL-UHFFFAOYSA-N;137.18;0.96;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_SP2";;;;;;;0.54;;-1.09;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM433356;MM433356;N#CC1(C=O)CC1CC=O;UYIYQZIASKXDBQ-UHFFFAOYSA-N;137.14;0.3;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_SNa";;;;;;;0.87;;-2.22;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM433357;MM433357;N#CC(C#CC=CF)CF;PGMVIAXXTYRJTB-UHFFFAOYSA-N;141.12;1.58;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_C5";;;;;;;1.64;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM433358;MM433358;CC(=NO)C1C(C)C1CF;WEZHCNRVTZAALH-UHFFFAOYSA-N;145.18;1.69;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC5_Nda";;;;;;;1.64;;0.05;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM433359;MM433359;CC(=NN)C(C)=NOC=O;PXCCOUQQAPKDGH-UHFFFAOYSA-N;143.15;-0.13;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_P2";;;;;;;0.54;;-1.09;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM433360;MM433360;CNCC1CN=C(NO)C1;KTHIQZMHXHOPAL-UHFFFAOYSA-N;143.19;-0.4;;;;;DOPC;MDCG;27;1;"MARTINI bead: SNd_SNda";;;;;;;0.87;;-4.48;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM433361;MM433361;N#CCC(C=O)=CN1CC1;SAIOQCGHOGOVLJ-UHFFFAOYSA-N;136.15;0.3;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_SP2";;;;;;;-0.24;;-3.24;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM433362;MM433362;N#CC1(C#N)CC1CC=O;ZJGCWUCYMHULDB-UHFFFAOYSA-N;134.14;0.63;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_SP1";;;;;;;0.04;;-2.54;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM433363;MM433363;CC(=NO)C1C(CO)N1C;RUKTYICCVQRRRA-UHFFFAOYSA-N;144.17;-0.49;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP1_P1";;;;;;;-0.79;;-3.13;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM433364;MM433364;C=CC(C#CC=NN)CC;OVHHJFJXXXTJNK-UHFFFAOYSA-N;136.2;1.15;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1_P1";;;;;;;2.08;;0.48;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM433365;MM433365;Nn1c(O)cccc1=NO;KQFBYIRNWQCZHM-UHFFFAOYSA-N;141.13;-0.8;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNda_SP1";;;;;;;0.04;;-2.73;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM433366;MM433366;C=COC(C#N)=NN1CC1;BXEDCOLBRKGEEE-UHFFFAOYSA-N;137.14;0.3;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_SP2";;;;;;;-0.24;;-3.24;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM433367;MM433367;CC=C1CC(CCC)CO1;WMVWUTXSGOTUBO-UHFFFAOYSA-N;140.23;2.73;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC4_SC5";;;;;;;2.97;;0.45;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM433368;MM433368;N#CCC1CC1(C#N)C#N;WUDMIRWTMWUXOO-UHFFFAOYSA-N;131.14;0.95;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_SP1";;;;;;;-0.79;;-3.13;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM433369;MM433369;CCN1C(C)C1C(C)=CF;OEVODJVLFRPPCL-UHFFFAOYSA-N;143.21;1.95;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNd_C4";;;;;;;2.2;;0.33;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM433370;MM433370;C=CC(C#CC=NO)CC;SVOVKUZYJYBUMI-UHFFFAOYSA-N;137.18;1.66;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1_P1";;;;;;;2.08;;0.48;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM433371;MM433371;CC=NN=C(C)C(C)=NN;JKWAEQXCHDXTER-UHFFFAOYSA-N;140.19;0.79;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_C5";;;;;;;0.81;;-0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM433372;MM433372;NCCC1CC(=CF)CN1;RYQNFEOPDIOGKN-UHFFFAOYSA-N;144.19;0.55;;;;;DOPC;MDCG;27;1;"MARTINI bead: SP1_SP1";;;;;;;-0.79;;-5.88;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM433373;MM433373;C#CCC(C=C)=CC1CC1;BXCJUAXWUCEQKK-UHFFFAOYSA-N;132.21;2.53;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4_SC5";;;;;;;2.97;;0.45;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM433374;MM433374;C=CC1(C=C)CC1NC=N;YTDPIAHGCTWKTM-UHFFFAOYSA-N;136.2;1.31;;;;;DOPC;MDCG;27;1;"MARTINI bead: SC4_P3";;;;;;;0.23;;-4.78;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM433375;MM433375;C=CC1C(C(C)=CF)N1C;AOEUKYGPEMZDIY-UHFFFAOYSA-N;141.19;1.73;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNd_C4";;;;;;;2.2;;0.32;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM433376;MM433376;CCC(C#CC=NO)C=O;XMAWDAACPZWLHI-UHFFFAOYSA-N;139.15;0.67;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_P1";;;;;;;0.81;;-0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM433377;MM433377;Nn1c(F)cccc1=NO;OSVGMKGPYGKWCD-UHFFFAOYSA-N;143.12;-0.37;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNa_SP1";;;;;;;0.04;;-2.54;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM433378;MM433378;CCCC1CC(=NN)CN1;KRFCUNCKYFLTGU-UHFFFAOYSA-N;141.22;0.46;;;;;DOPC;MDCG;27;1;"MARTINI bead: SC5_SP2";;;;;;;0.54;;-2.58;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM433379;MM433379;C#CCC(C=O)=CC1CC1;BELMWRBVIJPGGT-UHFFFAOYSA-N;134.18;1.55;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_SC5";;;;;;;1.64;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM433380;MM433380;C#CCC1CC(O)(CC)C1;GHZWGLQJMJGUOC-UHFFFAOYSA-N;138.21;1.56;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNda_SC4";;;;;;;2.2;;0.49;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM433381;MM433381;C=CC1C(C(F)=CF)N1C;DUVRBOHZTJPTIR-UHFFFAOYSA-N;145.15;1.64;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNd_C5";;;;;;;1.64;;0.02;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM433382;MM433382;CCC(C#N)C#CC=NO;KZIVHRASWHDNOH-UHFFFAOYSA-N;136.15;1;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_P1";;;;;;;0.81;;-0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM433383;MM433383;CN=c1cccc(C)n1O;PHKCSEOLNBMNDI-UHFFFAOYSA-N;138.17;0.56;;;;;DOPC;MDCG;27;1;"MARTINI bead: SN0_SNda";;;;;;;1.17;;-3.58;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM433384;MM433384;CN=C1CC(CCN)NN1;AYVLGPQKYKPJJF-UHFFFAOYSA-N;142.21;-0.77;;;;;DOPC;MDCG;27;1;"MARTINI bead: SP2_SP2";;;;;;;-1.34;;-7.01;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM433385;MM433385;C=CC1(C#N)CC1NC=N;IXKCZIQYETWDRA-UHFFFAOYSA-N;135.17;0.65;;;;;DOPC;MDCG;27;1;"MARTINI bead: SN0_P3";;;;;;;-0.8;;-6.47;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM433386;MM433386;C#CCC(C#N)=CC1CC1;YDYFRFPFHZHPLG-UHFFFAOYSA-N;131.18;1.87;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_SC5";;;;;;;2.41;;0.64;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM433387;MM433387;C=CC1C(C(C)=NN)N1C;LUAUCDGTDPFQPV-UHFFFAOYSA-N;139.2;0.19;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNd_Nd";;;;;;;0.87;;-2.11;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM433388;MM433388;C=CC(C#CC=NO)CO;RIBJOPHKNJIXPC-UHFFFAOYSA-N;139.15;0.24;;;;;DOPC;MDCG;27;0;"MARTINI bead: N0_P1";;;;;;;0.34;;-1.53;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM433389;MM433389;C=CC1(C=O)CC1NC=O;ZTEFPKDFYDZNPR-UHFFFAOYSA-N;139.15;-0.12;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNa_P3";;;;;;;-1.1;;-4.2;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM433390;MM433390;Cc1cccc(=NO)n1O;HRUUANJYJVGMDV-UHFFFAOYSA-N;140.14;0.32;;;;;DOPC;MDCG;27;0;"MARTINI bead: SN0_SP1";;;;;;;0.34;;-1.53;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM433391;MM433391;C#CCC(C#N)=CC1CN1;UOVORRLDMOKKSX-UHFFFAOYSA-N;132.17;0.43;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_SP2";;;;;;;0.54;;-1.09;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM433392;MM433392;CCC1(CO)CCCC1C;IZQQGSCPRXPIHX-UHFFFAOYSA-N;142.24;2.2;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC4_SC3";;;;;;;3.9;;0.47;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM433393;MM433393;CC(=NO)C1C(C=O)N1C;KDBXCLPOSHUYAD-UHFFFAOYSA-N;142.16;-0.28;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP2_P1";;;;;;;-1.06;;-3.82;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM433394;MM433394;C=C(C)C(=C)C(O)CCC;UFRFTPJBBNMSSG-UHFFFAOYSA-N;140.23;2.28;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda_C3";;;;;;;2.57;;0.44;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM433395;MM433395;CN=c1cccc(N)n1O;OLHIPBJQCWVIRF-UHFFFAOYSA-N;139.16;-0.16;;;;;DOPC;MDCG;27;1;"MARTINI bead: SN0_SP1";;;;;;;0.34;;-5.5;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM433396;MM433396;NCCC1CC(=CF)CO1;CWYAVTBIQFZALL-UHFFFAOYSA-N;145.18;0.98;;;;;DOPC;MDCG;27;1;"MARTINI bead: SP1_SNa";;;;;;;0.04;;-5.25;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM433397;MM433397;C=CC1(C#N)CC1NC=O;JAMVIWAXKHGTJO-UHFFFAOYSA-N;136.15;0.2;;;;;DOPC;MDCG;27;0;"MARTINI bead: SN0_P3";;;;;;;-0.8;;-2.99;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM433398;MM433398;C#CCC(C=C)=CC1CO1;SKGRMFHNOQVHNP-UHFFFAOYSA-N;134.18;1.52;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4_SP1";;;;;;;1.37;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM433399;MM433399;CC=C(C)C1C(C)N1C=N;VPSNYWAKYDTWHI-UHFFFAOYSA-N;138.21;1.63;;;;;DOPC;MDCG;27;1;"MARTINI bead: C2_SP1";;;;;;;2;;-0.96;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM433400;MM433400;C=CC(C#CC=NO)CF;FALOXUBDRJNXBX-UHFFFAOYSA-N;141.15;1.22;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_C5";;;;;;;0.81;;-0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM433401;MM433401;CCCC1CC(=NN)CO1;PCGFNANYXCBUQD-UHFFFAOYSA-N;142.2;0.89;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC5_SP1";;;;;;;0.81;;-0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM433402;MM433402;NN=c1cccc(N)n1O;UFYHTIHWSQOSQA-UHFFFAOYSA-N;140.15;-0.92;;;;;DOPC;MDCG;27;1;"MARTINI bead: SP1_SNd";;;;;;;0.04;;-4.48;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM433403;MM433403;C#CCC(C=O)=CC1CO1;SBKMLJNSHHGWNC-UHFFFAOYSA-N;136.15;0.53;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_SP1";;;;;;;0.04;;-2.54;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM433404;MM433404;N#CC1(C=O)CC1NC=N;GSCQEFUOVQOVMD-UHFFFAOYSA-N;137.14;-0.34;;;;;DOPC;MDCG;27;1;"MARTINI bead: P3_SNa";;;;;;;-1.1;;-7.62;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM433405;MM433405;CC=C(C)C1C(C)N1C=O;AVQQMIYRUSCKJV-UHFFFAOYSA-N;139.2;1.18;;;;;DOPC;MDCG;27;0;"MARTINI bead: C2_SP1";;;;;;;2;;0.29;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM433406;MM433406;O=CC(C#CC=NO)CF;WZDUVLSAAZSVFH-UHFFFAOYSA-N;143.12;0.23;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_Na";;;;;;;0.04;;-2.54;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM433407;MM433407;CCCC1CCC(=NC)N1;TYFVDYIWZVVKCX-UHFFFAOYSA-N;140.23;1.57;;;;;DOPC;MDCG;27;1;"MARTINI bead: SC5_SNd";;;;;;;1.64;;-4.05;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM433408;MM433408;N#CC1(C#N)CC1NC=N;GTGNJBCXTDIQHP-UHFFFAOYSA-N;134.14;-0.01;;;;;DOPC;MDCG;27;1;"MARTINI bead: P3_SP1";;;;;;;-1.93;;-8.01;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM433409;MM433409;CCCON=CC(C)=NN;IUWAPNCOTKOPCF-UHFFFAOYSA-N;143.19;0.73;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_Nd";;;;;;;0.87;;-1.88;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM433410;MM433410;C#CCC(C#N)=CC1CO1;YYRRTRMOGSYBEE-UHFFFAOYSA-N;133.15;0.86;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_SP1";;;;;;;0.81;;-0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM433411;MM433411;CC=C(F)C1C(C)N1C=N;XLKRKRRBWONGIP-UHFFFAOYSA-N;142.18;1.54;;;;;DOPC;MDCG;27;1;"MARTINI bead: C4_SP1";;;;;;;1.37;;-1.47;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM433412;MM433412;C=CC(C#CC=CC)NC;OLRGAJYDVZZBNC-UHFFFAOYSA-N;135.21;1.34;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_C4";;;;;;;2.2;;-0.49;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM433413;MM433413;CN=C1CCC(CCN)N1;GGJFCMDBBDFIQX-UHFFFAOYSA-N;141.22;0.12;;;;;DOPC;MDCG;27;1;"MARTINI bead: SNd_SP1";;;;;;;0.04;;-6.72;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM433414;MM433414;N#CC1(C=O)CC1NC=O;OXJRWUJHVVEDLH-UHFFFAOYSA-N;138.13;-0.79;;;;;DOPC;MDCG;27;0;"MARTINI bead: P3_SNa";;;;;;;-1.1;;-4.2;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM433415;MM433415;C#CCC(C=O)=CN1CC1;KEUMHDMPOBYPRG-UHFFFAOYSA-N;135.17;0.41;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_SP2";;;;;;;-0.24;;-3.24;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM433416;MM433416;CN=c1cccc(O)n1O;QXXDCEGYTXQCQU-UHFFFAOYSA-N;140.14;-0.04;;;;;DOPC;MDCG;27;1;"MARTINI bead: SN0_SP1";;;;;;;0.34;;-2.57;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM433417;MM433417;CC=C(F)C1C(C)N1C=O;HGKPCTFEJIPIER-UHFFFAOYSA-N;143.16;1.09;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4_SP1";;;;;;;1.37;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM433418;MM433418;CCCC1CCC(=NN)N1;VWFSCCJXQLTZGK-UHFFFAOYSA-N;141.22;0.81;;;;;DOPC;MDCG;27;1;"MARTINI bead: SC5_SNd";;;;;;;1.64;;-1.76;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM433419;MM433419;C=C(C=CC)C(O)C(C)C;LVZQFRJEVMHQFY-UHFFFAOYSA-N;140.23;2.14;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_C3";;;;;;;3.34;;0.48;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM433420;MM433420;C#CCC(C=C)=NN1CC1;DFIBCYWPZSCKMP-UHFFFAOYSA-N;134.18;0.87;;;;;DOPC;MDCG;27;0;"MARTINI bead: N0_SP2";;;;;;;0.06;;-2.21;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM433421;MM433421;N#CC1(C#N)CC1NC=O;NTZWNUOBSZYHIF-UHFFFAOYSA-N;135.13;-0.46;;;;;DOPC;MDCG;27;0;"MARTINI bead: P3_SP1";;;;;;;-1.93;;-4.72;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM433422;MM433422;C=CCON=CC(C)=NN;UFQSQZQCUPFFQG-UHFFFAOYSA-N;141.17;0.51;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nd_Na";;;;;;;0.87;;-1.88;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM433423;MM433423;C=NN1C(C)C1C(C)=CC;HZVWJYZJCOZQGR-UHFFFAOYSA-N;138.21;1.64;;;;;DOPC;MDCG;27;0;"MARTINI bead: C2_SP1";;;;;;;2;;0.3;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM433424;MM433424;CC(=N)n1onc(N)c1=O;NFFYGSONVLZDDH-UHFFFAOYSA-N;142.12;-0.74;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP2_SP1";;;;;;;-1.06;;-3.82;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM433425;MM433425;C=CCCCC1(O)CC1C;QRRLZTPOIMCUFJ-UHFFFAOYSA-N;140.23;2.11;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNda_C3";;;;;;;2.57;;0.44;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM433426;MM433426;CC12CC(C1)C(=NN)O2;MRXJBKXXMFXVLF-UHFFFAOYSA-N;126.16;0.46;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC4_SNda";;;;;;;2.2;;0.49;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM433427;MM433427;C=CC1(C=C)CC1NN=C;XJRFKPUXPFVGRW-UHFFFAOYSA-N;136.2;1.32;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC4_P2";;;;;;;1.09;;-0.38;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM433428;MM433428;C=NN1C(C)C1C(F)=CC;FNNGALQRDLYQGU-UHFFFAOYSA-N;142.18;1.55;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4_SP1";;;;;;;1.37;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM433429;MM433429;ON=c1cccc(O)n1O;CAXDLZJTWXMLBR-UHFFFAOYSA-N;142.11;-0.28;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP1_SNda";;;;;;;0.04;;-2.73;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM433430;MM433430;CCCC1CNC(=NC)N1;WNYCVELPKVZFBO-UHFFFAOYSA-N;141.22;0.33;;;;;DOPC;MDCG;27;1;"MARTINI bead: SP1_SP1";;;;;;;-0.79;;-7.56;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM433431;MM433431;CNC(C#N)C#CC=NO;KELFQHSBLUTARX-UHFFFAOYSA-N;137.14;-0.44;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_P1";;;;;;;-1.06;;-3.82;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM433432;MM433432;CC1C(=NN)OCC1F;HHBAMSQDQDVYIG-UHFFFAOYSA-N;132.14;0.26;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNa_SNda";;;;;;;0.87;;-1.99;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM433433;MM433433;NN=CC(CC(F)F)=NN;LYJITSCUKYRKIT-UHFFFAOYSA-N;150.13;-0.1;;;;;DOPC;MDCG;27;0;"MARTINI bead: N0_P2";;;;;;;0.06;;-2.21;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM433434;MM433434;C=NN1C(C)C1C(F)=CF;ZEJRDPDNSXZNSB-UHFFFAOYSA-N;146.14;1.46;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP1_C5";;;;;;;0.81;;-0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM433435;MM433435;CCC=NN=CC(C)=NN;XVKSZUJBVYUGMJ-UHFFFAOYSA-N;140.19;0.79;;;;;DOPC;MDCG;27;0;"MARTINI bead: N0_Nd";;;;;;;1.17;;-1.04;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM433436;MM433436;CC=C1CCC(CCC)O1;BXIHPGZDBMQXMB-UHFFFAOYSA-N;140.23;2.87;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC5_SC5";;;;;;;2.41;;0.64;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM433437;MM433437;C=CC(C#CC=CC)OC;HOTRCVRDRPNXTF-UHFFFAOYSA-N;136.19;1.77;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_C4";;;;;;;2.2;;0.34;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM433438;MM433438;C#CC(=CC1CC1)CCC;XCXVXANONZUYHC-UHFFFAOYSA-N;134.22;2.76;;;;;DOPC;MDCG;27;0;"MARTINI bead: C2_SC5";;;;;;;3.6;;0.34;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM433439;MM433439;C=C(C)C1CC(O)(CC)C1;GRKNEABPRAKUKA-UHFFFAOYSA-N;140.23;2.11;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNda_SC3";;;;;;;2.57;;0.44;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM433440;MM433440;C#CC1C(N)C1C(F)=CF;OXQAZRVYCXGCKQ-UHFFFAOYSA-N;143.14;0.97;;;;;DOPC;MDCG;27;1;"MARTINI bead: SP1_C5";;;;;;;0.81;;-2.64;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM433441;MM433441;CC=C1CCN(CCC)C1;HLLHNKPZLVAVLW-UHFFFAOYSA-N;139.24;2.05;;;;;DOPC;MDCG;27;1;"MARTINI bead: SC5_SN0";;;;;;;1.94;;-1.04;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM433442;MM433442;CN=c1cncc(C)n1C;OWJGBTQALSLLQK-UHFFFAOYSA-N;137.19;0.26;;;;;DOPC;MDCG;27;1;"MARTINI bead: SP1_SNa";;;;;;;0.04;;-4.32;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM433443;MM433443;C=CC(C#CC=CF)OC;SDZVQBLDWFUNSU-UHFFFAOYSA-N;140.16;1.67;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_C4";;;;;;;2.97;;0.45;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM433444;MM433444;CC1(C2C(O)C2(C)C)CC1;LJIXGUVJJGVZPW-UHFFFAOYSA-N;140.23;1.8;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNda_SC5";;;;;;;1.64;;0.05;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM433445;MM433445;C#CC(=CC1CO1)CCC;MNMDDWOJJJSMNA-UHFFFAOYSA-N;136.19;1.74;;;;;DOPC;MDCG;27;0;"MARTINI bead: C2_SP1";;;;;;;2;;0.29;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM433446;MM433446;C#CC1C(C(C)=CF)N1C;GONJUPQHJFVWHM-UHFFFAOYSA-N;139.17;1.18;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP1_C4";;;;;;;1.37;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM433447;MM433447;C=CCC1CCC(=CC)C1;QOIOWNYQHFVNLK-UHFFFAOYSA-N;136.24;3.31;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC1_SC1";;;;;;;4.95;;0.69;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM433448;MM433448;CN=c1ccnc(C)n1C;JRJAVRSYBOWRCI-UHFFFAOYSA-N;137.19;0.26;;;;;DOPC;MDCG;27;1;"MARTINI bead: SP1_SNa";;;;;;;0.04;;-4.64;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM433449;MM433449;CC=CC#CC(C=O)OC;FOGYXCQQLKPGCW-UHFFFAOYSA-N;138.17;0.78;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_C4";;;;;;;1.37;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM433450;MM433450;C#CC(=CC1CC1)CC#N;OKMZVBQFXWDOJK-UHFFFAOYSA-N;131.18;1.87;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_SC5";;;;;;;2.41;;0.64;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM433451;MM433451;C=COC1CC1(C=C)C=C;CNQNVXGSNNCKAA-UHFFFAOYSA-N;136.19;2.28;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_SC4";;;;;;;2.2;;0.34;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM433452;MM433452;C#CC1C(C(C)=NN)N1C;DWYZFXZBPHUWLS-UHFFFAOYSA-N;137.19;-0.36;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP1_Nd";;;;;;;0.04;;-2.63;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM433453;MM433453;CC=C1CCC(CC#N)C1;WGWXMYABXXYZSG-UHFFFAOYSA-N;135.21;2.65;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC1_SC4";;;;;;;4.24;;0.42;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM433454;MM433454;CN=c1ccnc(N)n1C;TWZOFAUHBUSNQS-UHFFFAOYSA-N;138.17;-0.47;;;;;DOPC;MDCG;27;1;"MARTINI bead: SP1_SNda";;;;;;;0.04;;-7.17;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM433455;MM433455;CC=CC#CC(C#N)OC;SUJKKBNVKWDANG-UHFFFAOYSA-N;135.17;1.1;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_C4";;;;;;;1.37;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM433456;MM433456;C#CC(=CC1CC1)NC=N;ZSZACYQAUYNEKD-UHFFFAOYSA-N;134.18;1.11;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_SC5";;;;;;;1.64;;-2.65;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM433457;MM433457;C=CC1(C=C)CC1OC=O;DRKPSVLIZIBVAH-UHFFFAOYSA-N;138.17;1.29;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC4_P1";;;;;;;1.37;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM433458;MM433458;C#CC1C(C(C)=NO)N1C;KPCZGTDTYFHKHI-UHFFFAOYSA-N;138.17;0.15;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP1_P1";;;;;;;-0.79;;-3.13;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM433459;MM433459;N#CCC1CCC(=CF)C1;ORQQWGDPXVLLML-UHFFFAOYSA-N;139.17;2.55;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC4_SC4";;;;;;;3.53;;0.53;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM433460;MM433460;Cn1c(N)nccc1=NN;FBUSKPHXZNXRKN-UHFFFAOYSA-N;139.16;-1.22;;;;;DOPC;MDCG;27;1;"MARTINI bead: SNda_SP2";;;;;;;-0.24;;-7.34;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM433461;MM433461;COC(C#CC=CF)C=O;QUPHSCVQGOFCIK-UHFFFAOYSA-N;142.13;0.69;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_C5";;;;;;;0.81;;-0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM433462;MM433462;C#CC(=CC1CN1)NC=N;OWTFEKOJQGPIGB-UHFFFAOYSA-N;135.17;-0.33;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_SP2";;;;;;;-0.24;;-5.78;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM433463;MM433463;CCCC1CC1C(C)CC;MGHDHWFFXODVIL-UHFFFAOYSA-N;140.27;3.47;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC2_C1";;;;;;;4.87;;0.53;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM433464;MM433464;C=COC1CC1(C=C)C=O;SVLKVULPNXRGQY-UHFFFAOYSA-N;138.17;1.29;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_SNa";;;;;;;0.87;;-2.22;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM433465;MM433465;C=CCC1CCC(=NN)C1;LIDFNMGPEPXSIF-UHFFFAOYSA-N;138.21;1.68;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNd_SC1";;;;;;;2.91;;0.63;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM433466;MM433466;N#CCn1nnc(O)n1;OQARSPFSSDSIAH-UHFFFAOYSA-N;125.09;-1.1;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP1_SP2";;;;;;;-1.06;;-8.94;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM433467;MM433467;COC(C#N)C#CC=CF;IYALVGCZHKNFAW-UHFFFAOYSA-N;139.13;1.01;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_C5";;;;;;;0.81;;-0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM433468;MM433468;C#CC(=CC1CO1)CC#N;XVHIQYUPVMZJBP-UHFFFAOYSA-N;133.15;0.86;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_SP1";;;;;;;0.81;;-0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM433469;MM433469;CCCC1CC1C(C)CN;MGPMNEQJVBLRHB-UHFFFAOYSA-N;141.26;2.02;;;;;DOPC;MDCG;27;1;"MARTINI bead: SC2_Nd";;;;;;;2.83;;-0.76;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM433470;MM433470;C=COC1CC1(C#N)C=C;QCHFDCNEEBEFMZ-UHFFFAOYSA-N;135.17;1.61;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_SN0";;;;;;;1.17;;-1.18;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM433471;MM433471;C=CCC1CCC(=NO)C1;DJIVHFGUKPXBCU-UHFFFAOYSA-N;139.2;2.19;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNda_SC1";;;;;;;2.91;;0.57;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM433472;MM433472;CN=c1ccnc(N)n1N;SWQQVBXTTRBRNZ-UHFFFAOYSA-N;139.16;-1.29;;;;;DOPC;MDCG;27;1;"MARTINI bead: SNda_SP2";;;;;;;-0.24;;-7.54;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM433473;MM433473;C=CC(C#CC=NO)OC;XQHVKLJJMICHQC-UHFFFAOYSA-N;139.15;0.65;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_P1";;;;;;;0.81;;-0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM433474;MM433474;CC(CN)C1CC1CCO;MSCXJJUHQSIZIS-UHFFFAOYSA-N;143.23;0.6;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_SNda";;;;;;;0.87;;-4.73;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM433475;MM433475;C#CC(CC=C)=NN1CC1;MYUWGQWNRGCBRY-UHFFFAOYSA-N;134.18;0.87;;;;;DOPC;MDCG;27;0;"MARTINI bead: N0_SP2";;;;;;;0.06;;-2.21;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM433476;MM433476;N#CCC1CCC(=NO)C1;XGCZZRGDZYVJSW-UHFFFAOYSA-N;138.17;1.53;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNda_SC4";;;;;;;2.2;;0.49;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM433477;MM433477;C=CC1(C=O)CC1OC=O;NWRTVANUNOGWTF-UHFFFAOYSA-N;140.14;0.3;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNa_P1";;;;;;;0.04;;-2.54;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM433478;MM433478;NN=c1ccnc(N)n1N;JUPMPYIFJUTART-UHFFFAOYSA-N;140.15;-2.05;;;;;DOPC;MDCG;27;1;"MARTINI bead: SNda_SP3";;;;;;;-1.1;;-7.74;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM433479;MM433479;C#CC(CC#N)=NN1CC1;MJHVEOXRKDORJV-UHFFFAOYSA-N;133.15;0.2;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_SP2";;;;;;;-1.06;;-3.82;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM433480;MM433480;C#CC(C#CC=CC)CC;YINYSAQHZXAFNX-UHFFFAOYSA-N;132.21;2.23;;;;;DOPC;MDCG;27;0;"MARTINI bead: C3_C4";;;;;;;3.9;;0.47;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM433481;MM433481;C=CC(=C)N=CNN=C;ULYPBHOUFBACES-UHFFFAOYSA-N;123.16;0.92;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4_P2";;;;;;;1.09;;-0.37;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM433482;MM433482;N=CNC1CCC(=CF)C1;SCPKWOZHJNYUGV-UHFFFAOYSA-N;142.18;1.59;;;;;DOPC;MDCG;27;1;"MARTINI bead: SC4_SNd";;;;;;;2.2;;-3.55;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM433483;MM433483;C=CC1(C#N)CC1OC=O;RPRLZLMGYCVRDK-UHFFFAOYSA-N;137.14;0.63;;;;;DOPC;MDCG;27;0;"MARTINI bead: SN0_P1";;;;;;;0.34;;-1.53;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM433484;MM433484;C#CC(=NN1CC1)OC=C;AACRSHIZWMUCEX-UHFFFAOYSA-N;136.15;0.41;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_SP2";;;;;;;-0.24;;-3.24;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM433485;MM433485;CNC1(C#N)CC1C(=O)O;LUJQLBTVUOKSMJ-UHFFFAOYSA-N;140.14;-0.43;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP1_P1";;;;;;;-0.79;;-8.63;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM433486;MM433486;C#CC(C#CC=CF)CC;DOVBORMLKDSOIP-UHFFFAOYSA-N;136.17;2.13;;;;;DOPC;MDCG;27;0;"MARTINI bead: C2_C4";;;;;;;4.16;;0.44;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM433487;MM433487;CC=NNC=C(F)C#N;LBBKDXXXGDDFMF-UHFFFAOYSA-N;127.12;0.92;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nd_C5";;;;;;;1.64;;0.02;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM433488;MM433488;O=CNC1CCC(=CF)C1;SHIVPDXIQBHNEH-UHFFFAOYSA-N;143.16;1.14;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC4_SNda";;;;;;;2.2;;0.49;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM433489;MM433489;C=COC1CC1(C#N)C=O;YBLRYLRFMXBCRR-UHFFFAOYSA-N;137.14;0.63;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_SNa";;;;;;;0.87;;-2.22;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM433490;MM433490;N#CCC(=O)OCC(=O)O;AXQHFCIRPPMJIG-UHFFFAOYSA-N;143.1;-0.47;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_P1";;;;;;;-0.79;;-8.64;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM433491;MM433491;C#CCC(C#C)=CC1CC1;HYNSZPJGYLRWMC-UHFFFAOYSA-N;130.19;1.98;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4_SC5";;;;;;;2.97;;0.45;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM433492;MM433492;CCCC1CC1C(C)CF;OKIKAYLWCGZDIM-UHFFFAOYSA-N;144.23;3.03;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC2_C4";;;;;;;4.16;;0.44;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM433493;MM433493;C#CC(C#CC=CC)CN;VNQJTQJWIPWDSF-UHFFFAOYSA-N;133.19;0.77;;;;;DOPC;MDCG;27;1;"MARTINI bead: C4_Nd";;;;;;;2.2;;-1.46;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM433494;MM433494;C=NNC1CCC(=CC)C1;XPFMNXKDFRXELD-UHFFFAOYSA-N;138.21;1.69;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC1_SNd";;;;;;;2.91;;0.63;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM433495;MM433495;C=COC1CC1(C#N)C#N;LXWPDASVQLGOII-UHFFFAOYSA-N;134.14;0.95;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_SP1";;;;;;;0.04;;-2.54;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM433496;MM433496;C=CC=NN=CC(C)=NN;LHJPLCSCKMZDOI-UHFFFAOYSA-N;138.17;0.56;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nd_N0";;;;;;;1.17;;-1.04;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM433497;MM433497;C#CCC(C#C)=CC1CO1;SBXPQTYRAOBCAP-UHFFFAOYSA-N;132.16;0.97;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4_SP1";;;;;;;1.37;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM433498;MM433498;CCCC1CC1C(N)CC;NCMMFJJBUSZGCA-UHFFFAOYSA-N;141.26;2.16;;;;;DOPC;MDCG;27;1;"MARTINI bead: SC2_Nd";;;;;;;2.83;;-1.01;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM433499;MM433499;C#CC(C#CC=CC)CO;UKMMTPQADWBPOL-UHFFFAOYSA-N;134.18;0.81;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4_Nda";;;;;;;2.2;;0.49;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM433500;MM433500;C=CCC1CNC(=NC)C1;XOVPWBBXSZYOAB-UHFFFAOYSA-N;138.21;1.2;;;;;DOPC;MDCG;27;1;"MARTINI bead: SNd_SC5";;;;;;;1.64;;-4.22;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM433501;MM433501;O=COC1CC1(C=O)C=O;XVMAUPBUHHSRME-UHFFFAOYSA-N;142.11;-0.68;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_SNa";;;;;;;0.04;;-2.54;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM433502;MM433502;Cc1nccc(=NO)n1O;KHPWTGGSHULSJN-UHFFFAOYSA-N;141.13;-0.28;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNa_SP2";;;;;;;-0.24;;-3.24;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM433503;MM433503;C#CCC(C#C)=NN1CC1;OWTGGOWCARLNPU-UHFFFAOYSA-N;132.17;0.31;;;;;DOPC;MDCG;27;0;"MARTINI bead: N0_SP2";;;;;;;0.06;;-2.21;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM433504;MM433504;C#CC(C#CC=CF)CO;XVKHMKBCIZBSRZ-UHFFFAOYSA-N;138.14;0.71;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda_C5";;;;;;;1.64;;0.05;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM433505;MM433505;CCC(N)C1CC1CCN;SFUHTTWQKFXWOM-UHFFFAOYSA-N;142.25;0.71;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_SNd";;;;;;;0.87;;-5.37;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM433506;MM433506;C=CCC1CNC(=NN)C1;SEIIGVLNOWFFOK-UHFFFAOYSA-N;139.2;0.44;;;;;DOPC;MDCG;27;1;"MARTINI bead: SNd_SC5";;;;;;;1.64;;-1.93;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM433507;MM433507;N#CC1(C=O)CC1OC=O;XGRQYSPCDKIDHI-UHFFFAOYSA-N;139.11;-0.36;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_SNa";;;;;;;0.04;;-2.54;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM433508;MM433508;CN=c1ccnc(N)n1O;WPSSNSCOCAVEEI-UHFFFAOYSA-N;140.15;-0.77;;;;;DOPC;MDCG;27;1;"MARTINI bead: SNda_SP2";;;;;;;-0.24;;-5.81;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM433509;MM433509;C#CC(C#CC=CC)CF;HJMVCWQUOFNLQU-UHFFFAOYSA-N;136.17;1.78;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4_Na";;;;;;;2.2;;0.34;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM433510;MM433510;CCCC1CC1C(N)CN;CZGWHUIYRXQTJR-UHFFFAOYSA-N;142.25;0.71;;;;;DOPC;MDCG;27;1;"MARTINI bead: SC2_P4";;;;;;;0.77;;-3.15;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM433511;MM433511;CC=CC(=CC1CC1)CC;OZEIVDIPNZVBAN-UHFFFAOYSA-N;136.24;3.31;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1_SC5";;;;;;;3.68;;0.46;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM433512;MM433512;C#CCC1C=CC(=NN)C1;XZLDHLKVWCUWMX-UHFFFAOYSA-N;134.18;0.9;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNd_SC4";;;;;;;2.2;;0.32;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM433513;MM433513;NN=c1ccnc(N)n1O;LXHVQQVIXMILRB-UHFFFAOYSA-N;141.13;-1.52;;;;;DOPC;MDCG;27;1;"MARTINI bead: SNda_SP2";;;;;;;-0.24;;-5.46;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM433514;MM433514;N#CC1(C#N)CC1OC=O;HPEAOAKSZYBZPH-UHFFFAOYSA-N;136.11;-0.03;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_SP1";;;;;;;-0.79;;-3.13;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM433515;MM433515;CC=CC(=CC1CC1)CN;WENLPNNETUNWEM-UHFFFAOYSA-N;137.23;1.86;;;;;DOPC;MDCG;27;1;"MARTINI bead: C5_SC5";;;;;;;2.41;;0.04;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM433516;MM433516;C#CC(C#CC=CF)CF;QTOHXBISNBFVTE-UHFFFAOYSA-N;140.13;1.69;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_C4";;;;;;;2.97;;0.45;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM433517;MM433517;NCCC1CC1C(N)CN;SLIVFQPBIKPUML-UHFFFAOYSA-N;143.23;-0.74;;;;;DOPC;MDCG;27;1;"MARTINI bead: SNd_P4";;;;;;;-1.19;;-7.61;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM433518;MM433518;CC#CC1=COC(=NN)C1;IOIUAWGFDLYRJU-UHFFFAOYSA-N;136.15;0.59;;;;;DOPC;MDCG;27;0;"MARTINI bead: SN0_SNda";;;;;;;1.17;;-1.13;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM433519;MM433519;N#Cc1n[nH]c(O)c1F;QIDOLQICOPVDJQ-UHFFFAOYSA-N;127.08;0.13;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNda_SNda";;;;;;;0.87;;-7.69;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM433520;MM433520;C=CC1(C=C)CC1ON=C;AALJHZNANFQMFL-UHFFFAOYSA-N;137.18;1.75;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC4_P1";;;;;;;1.37;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM433521;MM433521;CC=CC(=CC1CC1)CO;TVDPWCAJXQKFTR-UHFFFAOYSA-N;138.21;1.89;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_SC5";;;;;;;2.41;;0.64;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM433522;MM433522;NCC(N)C1CC1CCO;DFYOYUGHMMTRSR-UHFFFAOYSA-N;144.22;-0.71;;;;;DOPC;MDCG;27;1;"MARTINI bead: P4_SNda";;;;;;;-1.19;;-7.18;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM433523;MM433523;C#CC(C#CC=NN)CC;HYCZADHBZASZLI-UHFFFAOYSA-N;134.18;0.59;;;;;DOPC;MDCG;27;0;"MARTINI bead: C3_P1";;;;;;;1.74;;0.29;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM433524;MM433524;CCn1nc(N)c(=NN)o1;IVLDZKZEZVBUBU-UHFFFAOYSA-N;143.15;-1.15;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP2_SP3";;;;;;;-2.2;;-5.19;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM433525;MM433525;C=CC1(C=O)CC1ON=C;XAHBNLQYNZITMB-UHFFFAOYSA-N;139.15;0.76;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNa_P1";;;;;;;0.04;;-2.54;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM433526;MM433526;N#CC(N)=NOCC(=O)O;BCZKEZFTCWGLQT-UHFFFAOYSA-N;143.1;-1.12;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_P1";;;;;;;-1.06;;-8.94;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM433527;MM433527;CC=CC(=CC1CN1)CN;AXEIOPQEMGSBTQ-UHFFFAOYSA-N;138.21;0.42;;;;;DOPC;MDCG;27;1;"MARTINI bead: C5_SP2";;;;;;;0.54;;-3.28;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM433528;MM433528;NCCC1CC1C(N)CO;QOUYXASHGOECJW-UHFFFAOYSA-N;144.22;-0.71;;;;;DOPC;MDCG;27;1;"MARTINI bead: SNd_P3";;;;;;;-1.1;;-6.84;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM433529;MM433529;C#CC(C#CC=NO)CC;VJNXBXRVVQLHPO-UHFFFAOYSA-N;135.17;1.11;;;;;DOPC;MDCG;27;0;"MARTINI bead: C3_P1";;;;;;;1.74;;0.29;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM433530;MM433530;N=CNC1CNC(=NO)C1;HFUVPSDXUFVDGO-UHFFFAOYSA-N;142.16;-0.67;;;;;DOPC;MDCG;27;1;"MARTINI bead: SP1_SP2";;;;;;;-1.06;;-7.92;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM433531;MM433531;N=c1c(=O)oc(O)nn1O;TZRGOYVTLORZAN-UHFFFAOYSA-N;145.07;-1.74;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP3_SP3";;;;;;;-3.07;;-10.27;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM433532;MM433532;C=CC1(C#N)CC1ON=C;OHNWIEVCDMEZCP-UHFFFAOYSA-N;136.15;1.09;;;;;DOPC;MDCG;27;0;"MARTINI bead: SN0_P1";;;;;;;0.34;;-1.53;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM433533;MM433533;CCCC1CC1C(N)CF;XIKPFPUEVZJRCP-UHFFFAOYSA-N;145.22;1.72;;;;;DOPC;MDCG;27;1;"MARTINI bead: SC2_P2";;;;;;;1.72;;-1.11;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM433534;MM433534;CC=CC(=CC1CO1)CO;DYWSVMKUDUMZNI-UHFFFAOYSA-N;140.18;0.88;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_SP1";;;;;;;0.81;;-0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM433535;MM433535;C#CC(C#CC=NO)CO;FUIMDMWQZBDGEY-UHFFFAOYSA-N;137.14;-0.31;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda_P1";;;;;;;0.04;;-2.73;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM433536;MM433536;CN=c1nccc(C)n1C;TVFKOGWVUNIHAG-UHFFFAOYSA-N;137.19;0.26;;;;;DOPC;MDCG;27;1;"MARTINI bead: SNa_SP1";;;;;;;0.04;;-7.81;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM433537;MM433537;C=CCC1COC(=CC)C1;BKHNGVHAHFHLJD-UHFFFAOYSA-N;138.21;2.5;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC5_SC5";;;;;;;2.41;;0.64;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM433538;MM433538;C=NOC1CC1(C=O)C=O;CBRJFBVQUGXDAD-UHFFFAOYSA-N;141.13;-0.22;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_SNa";;;;;;;0.04;;-2.54;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM433539;MM433539;C=CC(C=CC)=CC1CC1;VPBWOMUHPSRBQS-UHFFFAOYSA-N;134.22;3.08;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1_SC5";;;;;;;3.68;;0.46;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM433540;MM433540;C#CC(C#CC=NO)CF;VNAOJDXVLGCDKZ-UHFFFAOYSA-N;139.13;0.67;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_C5";;;;;;;0.81;;-0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM433541;MM433541;C=NN1CC(=C)C(=O)C1;IEUXEMIXTMWGMU-UHFFFAOYSA-N;124.14;0.04;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP1_SP2";;;;;;;-1.06;;-3.82;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM433542;MM433542;C=CCC1COC(=CF)C1;ULWLLOQXUDZXIM-UHFFFAOYSA-N;142.17;2.41;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNa_SC5";;;;;;;1.64;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM433543;MM433543;Cc1ccnc(=NN)n1C;JSODSKLUWJFIIC-UHFFFAOYSA-N;138.17;-0.5;;;;;DOPC;MDCG;27;1;"MARTINI bead: SP1_SP1";;;;;;;-0.79;;-6.67;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM433544;MM433544;C=NOC1CC1(C#N)C=O;PGBQIYDBONVNHR-UHFFFAOYSA-N;138.13;0.1;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_SNa";;;;;;;0.04;;-2.54;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM433545;MM433545;CC=CC(C=O)=CC1CC1;QPARMIWCSCSRRM-UHFFFAOYSA-N;136.19;2.1;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_SC5";;;;;;;2.41;;0.64;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM433546;MM433546;C#CC(C#CC=CC)OC;XMZBYLDXNNRORP-UHFFFAOYSA-N;134.18;1.21;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_C4";;;;;;;2.2;;0.34;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM433547;MM433547;CCC(O)C1CC1CCN;YRIYWPWIRKDNRJ-UHFFFAOYSA-N;143.23;0.74;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nda_SNd";;;;;;;0.87;;-4.71;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM433548;MM433548;C=Cn1nc(N)c(=NN)o1;USDRAMVSVXFTTC-UHFFFAOYSA-N;141.13;-1.07;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP3_SP2";;;;;;;-2.2;;-5.19;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM433549;MM433549;CN=c1nccc(N)n1C;WUMWYBFALDSAQH-UHFFFAOYSA-N;138.17;-0.47;;;;;DOPC;MDCG;27;1;"MARTINI bead: SNa_SP1";;;;;;;0.04;;-8.3;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM433550;MM433550;C=NOC1CC1(C#N)C#N;QCFYJPYCRHISJR-UHFFFAOYSA-N;135.13;0.42;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_SP1";;;;;;;-0.79;;-3.13;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM433551;MM433551;C#CC(C#CC=CF)OC;OOWWIDWCAGHFFC-UHFFFAOYSA-N;138.14;1.12;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_C5";;;;;;;1.64;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM433552;MM433552;C=CC(C=CC)=CC1CO1;BAXKHMYEXLTNJM-UHFFFAOYSA-N;136.19;2.07;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1_SP1";;;;;;;2.08;;0.48;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM433553;MM433553;C=C1C(=N)NN=C1CC;WLUNQLPIQUCRNX-UHFFFAOYSA-N;123.16;0.89;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP1_SP1";;;;;;;-0.79;;-3.13;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM433554;MM433554;Cn1c(N)ccnc1=NN;HKPZELJJFCLKON-UHFFFAOYSA-N;139.16;-1.22;;;;;DOPC;MDCG;27;1;"MARTINI bead: SP1_SP1";;;;;;;-0.79;;-7.74;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM433555;MM433555;C=CCC1COC(=NO)C1;XNSNGUAWYZFPIW-UHFFFAOYSA-N;141.17;1.39;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP1_SC5";;;;;;;0.81;;-0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM433556;MM433556;C#CC(C#CC=NN)OC;MRPXMUWQYXQLJK-UHFFFAOYSA-N;136.15;-0.42;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_Nd";;;;;;;0.87;;-1.88;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM433557;MM433557;C#CC1=CCC(O)C1(C)C;OQTLCGCZXPYPGP-UHFFFAOYSA-N;136.19;1.34;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNda_SC3";;;;;;;2.57;;0.44;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM433558;MM433558;N#CC(C=CN)=NN1CC1;UWNZVSNUXTWSOM-UHFFFAOYSA-N;136.16;-0.35;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_SP2";;;;;;;-1.34;;-4.31;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM433559;MM433559;NCCC1CC1C(O)CN;RIOXKLFLJNSCTM-UHFFFAOYSA-N;144.22;-0.71;;;;;DOPC;MDCG;27;1;"MARTINI bead: SNd_P3";;;;;;;-1.1;;-6.76;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM433560;MM433560;Cn1c(O)ccnc1=NO;HCXAANPGRGHCSL-UHFFFAOYSA-N;141.13;-0.58;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP1_SP1";;;;;;;-0.79;;-3.13;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM433561;MM433561;N=CNC1COC(=CF)C1;IMGNLQGNGURQTG-UHFFFAOYSA-N;144.15;0.78;;;;;DOPC;MDCG;27;1;"MARTINI bead: SNa_SP2";;;;;;;-0.24;;-6.73;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM433562;MM433562;C=CC(C#CC=CC)C=C;KNUDMOAPBNBKDV-UHFFFAOYSA-N;132.21;2.55;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4_C2";;;;;;;4.16;;0.44;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM433563;MM433563;C=CCC1NC1(C#N)C=C;REIWXUSPHHGBAE-UHFFFAOYSA-N;134.18;0.98;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4_SP1";;;;;;;1.37;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM433564;MM433564;C#CC(C=CC)=CC1CO1;AIZNPDZSPHALND-UHFFFAOYSA-N;134.18;1.52;;;;;DOPC;MDCG;27;0;"MARTINI bead: C3_SP1";;;;;;;1.74;;0.29;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM433565;MM433565;OCCC1CC1C(O)CO;YUAXLZKHWXOAID-UHFFFAOYSA-N;146.19;-0.64;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNda_P3";;;;;;;-1.1;;-3.97;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM433566;MM433566;CN=c1nccc(F)n1C;CZBMGJRSBPGQRQ-UHFFFAOYSA-N;141.15;0.09;;;;;DOPC;MDCG;27;1;"MARTINI bead: SNa_SNa";;;;;;;0.87;;-4.25;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM433567;MM433567;C=NNC1COC(=NO)C1;FCDKCDXTLGKRLD-UHFFFAOYSA-N;143.15;-0.23;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP1_SP1";;;;;;;-0.79;;-3.13;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM433568;MM433568;C=CC1(C=O)NC1CC#N;BVTWJFCWUDGASX-UHFFFAOYSA-N;136.15;;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP2_P1";;;;;;;-1.06;;-3.82;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM433569;MM433569;C=CC(C#CC=CF)C=C;FAINJUBSJVQLTI-UHFFFAOYSA-N;136.17;2.46;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4_C1";;;;;;;4.24;;0.42;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM433570;MM433570;CC#CC(=CC1CC1)CC;ZKBJZCASDKTCJV-UHFFFAOYSA-N;134.22;2.76;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1_SC5";;;;;;;3.68;;0.46;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM433571;MM433571;CN=c1nccc(C)n1N;UUQBIFISJZXATI-UHFFFAOYSA-N;138.17;-0.56;;;;;DOPC;MDCG;27;1;"MARTINI bead: SP1_SP1";;;;;;;-0.79;;-6.44;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM433572;MM433572;CCCC1CC1C(O)CF;JITSIJIZGSUMFG-UHFFFAOYSA-N;146.21;1.75;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC2_P2";;;;;;;1.72;;0.27;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM433573;MM433573;C=COC1COC(=NO)C1;QZJOTTRPRZJTKK-UHFFFAOYSA-N;143.14;0.72;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP1_SNa";;;;;;;0.04;;-2.54;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM433574;MM433574;C#CC=CCC(O)C(C)C;QHHFDTLMTCNCMD-UHFFFAOYSA-N;138.21;1.58;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda_C4";;;;;;;2.2;;0.49;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM433575;MM433575;C=CC(C#CC=CC)C=O;DWSQTYNBLBYBCO-UHFFFAOYSA-N;134.18;1.57;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4_Na";;;;;;;2.2;;0.34;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM433576;MM433576;CC#CC(=CC1CC1)CO;JCXNFIVTBVGIIY-UHFFFAOYSA-N;136.19;1.34;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda_SC5";;;;;;;1.64;;0.05;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM433577;MM433577;Cc1ccnc(=NN)n1N;KHFQMAHNOFZLEH-UHFFFAOYSA-N;139.16;-1.32;;;;;DOPC;MDCG;27;1;"MARTINI bead: SP1_SP2";;;;;;;-1.06;;-5.13;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM433578;MM433578;C=CCC1CC(=CF)CN1;FXEFVJONHSRYMY-UHFFFAOYSA-N;141.19;1.78;;;;;DOPC;MDCG;27;1;"MARTINI bead: SP1_SNd";;;;;;;0.04;;-5.34;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM433579;MM433579;CCCC1CC1C(F)CC;YHRRDTZFTBKWQC-UHFFFAOYSA-N;144.23;3.17;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC2_C4";;;;;;;4.16;;0.44;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM433580;MM433580;C=CC1(C#N)NC1CC#N;PJYIHDRSIGFCTE-UHFFFAOYSA-N;133.15;0.32;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP1_P1";;;;;;;-0.79;;-3.13;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM433581;MM433581;C=CC(C#N)C#CC=CC;JHPSUGWWNUYYCD-UHFFFAOYSA-N;131.18;1.89;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4_N0";;;;;;;2.5;;0.44;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM433582;MM433582;C#CC(C)C(C=O)=NOC;OHBCRQUFITZYPU-UHFFFAOYSA-N;139.15;0.46;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_P2";;;;;;;0.54;;-1.09;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM433583;MM433583;CC#CC(=CC1CC1)OC;WHDIUXKZIBEBOD-UHFFFAOYSA-N;136.19;1.95;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4_SC5";;;;;;;2.97;;0.45;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM433584;MM433584;C=CCC1CC(=NC)NN1;IFUTTZSTCSTUHF-UHFFFAOYSA-N;139.2;0.46;;;;;DOPC;MDCG;27;1;"MARTINI bead: SP2_SNd";;;;;;;-0.24;;-5.71;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM433585;MM433585;CCCC1CC1C(F)CN;OVHLYUPBMKESMI-UHFFFAOYSA-N;145.22;1.72;;;;;DOPC;MDCG;27;1;"MARTINI bead: SC2_P2";;;;;;;1.72;;-0.82;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM433586;MM433586;C=CCC1NC1(C#N)C=O;AGXKTUVQXGBKBJ-UHFFFAOYSA-N;136.15;;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4_SP2";;;;;;;1.09;;-0.38;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM433587;MM433587;C=CC(C#CC=CF)C=O;HGJJLZNCJAOGQP-UHFFFAOYSA-N;138.14;1.47;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4_Na";;;;;;;2.2;;0.34;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM433588;MM433588;CN=c1nccc(N)n1N;AQPNQIACXZPVLF-UHFFFAOYSA-N;139.16;-1.29;;;;;DOPC;MDCG;27;1;"MARTINI bead: SP1_SP1";;;;;;;-0.79;;-7.72;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM433589;MM433589;CC#CC(=CC1CN1)CN;BPIYFRYNADFFBJ-UHFFFAOYSA-N;136.2;-0.13;;;;;DOPC;MDCG;27;1;"MARTINI bead: C5_SP2";;;;;;;0.54;;-2.85;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM433590;MM433590;CN=C1CC(CC#N)NN1;LHWIAQFGMIVSRE-UHFFFAOYSA-N;138.17;-0.21;;;;;DOPC;MDCG;27;1;"MARTINI bead: SP2_SP2";;;;;;;-1.34;;-6.84;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM433591;MM433591;NCCC1CC1C(F)CN;GARDKTUMTVFVGN-UHFFFAOYSA-N;146.21;0.27;;;;;DOPC;MDCG;27;1;"MARTINI bead: SNd_P2";;;;;;;-0.24;;-5.95;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM433592;MM433592;C=CC(C#N)C#CC=CF;IHDRZHSMDZRNDM-UHFFFAOYSA-N;135.14;1.8;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_N0";;;;;;;1.94;;0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM433593;MM433593;C=CCC1NC1(C#N)C#N;ZVDUYTOHXABBBW-UHFFFAOYSA-N;133.15;0.32;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4_SP2";;;;;;;1.09;;-0.38;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM433594;MM433594;NN=c1nccc(N)n1N;NMWFOCLNRPEOKU-UHFFFAOYSA-N;140.15;-2.05;;;;;DOPC;MDCG;27;1;"MARTINI bead: SP2_SP1";;;;;;;-1.06;;-6.49;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM433595;MM433595;CC#CC(=CC1CO1)CC;QXYLAWYLNNCDLP-UHFFFAOYSA-N;136.19;1.74;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1_SP1";;;;;;;2.08;;0.48;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM433596;MM433596;CC=C1COC(CC#N)C1;GTVKTDHUBNEIHZ-UHFFFAOYSA-N;137.18;1.64;;;;;DOPC;MDCG;27;0;"MARTINI bead: SN0_SNa";;;;;;;1.17;;-1.18;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM433597;MM433597;NCC(F)C1CC1CCO;FVBVWEYZEYOLIO-UHFFFAOYSA-N;147.19;0.3;;;;;DOPC;MDCG;27;1;"MARTINI bead: P2_SNda";;;;;;;-0.24;;-4.82;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM433598;MM433598;CC=CC#CC(C=O)C=O;NKTVWEVQLTUPOP-UHFFFAOYSA-N;136.15;0.58;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4_Na";;;;;;;2.2;;0.36;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM433599;MM433599;N#CC1(C#N)NC1CC=O;PUBLSKOOUUREDI-UHFFFAOYSA-N;135.13;-0.67;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_SP2";;;;;;;-0.24;;-3.24;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM433600;MM433600;CC#CC(=CC1CO1)CN;BMRQAIAYUGEZJD-UHFFFAOYSA-N;137.18;0.29;;;;;DOPC;MDCG;27;1;"MARTINI bead: C5_SP1";;;;;;;0.81;;-2.25;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM433601;MM433601;C=NNC(OC)=C(F)C#N;MDUBVJRCFNURPV-UHFFFAOYSA-N;143.12;0.5;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_P1";;;;;;;0.81;;-0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM433602;MM433602;C=CCC1CC(=CF)CO1;YITSYCDWXPJOBZ-UHFFFAOYSA-N;142.17;2.2;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNa_SC5";;;;;;;1.64;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM433603;MM433603;NCCC1CC1C(F)CO;PNQGSHZEYTVXAU-UHFFFAOYSA-N;147.19;0.3;;;;;DOPC;MDCG;27;1;"MARTINI bead: SNd_P2";;;;;;;-0.24;;-5.93;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM433604;MM433604;N#CCC1NC1(C#N)C#N;ABEXZICGEJHUOQ-UHFFFAOYSA-N;132.13;-0.34;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_SP2";;;;;;;-1.06;;-3.82;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM433605;MM433605;CC#CC(=CC1CO1)CO;ZCDGURRLHONJRD-UHFFFAOYSA-N;138.17;0.33;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda_SP1";;;;;;;0.04;;-2.73;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM433606;MM433606;CC=CC#CC(C#N)C#N;JBBFKNVJEYGEHP-UHFFFAOYSA-N;130.15;1.23;;;;;DOPC;MDCG;27;-1;"MARTINI bead: C4_P2";;;;;;;1.09;;-2.53;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM433607;MM433607;CN=c1nccc(C)n1O;RBIZYXCKIYZSGW-UHFFFAOYSA-N;139.16;-0.04;;;;;DOPC;MDCG;27;1;"MARTINI bead: SP1_SNda";;;;;;;0.04;;-5.57;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM433608;MM433608;N#CCC1CC(=CF)CO1;SMHTWPNJWQFABV-UHFFFAOYSA-N;141.15;1.54;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNa_SNa";;;;;;;0.87;;-2.22;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM433609;MM433609;OCCC1CC1C(F)CO;XIPTZUVLUFDIII-UHFFFAOYSA-N;148.18;0.34;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNda_P2";;;;;;;-0.24;;-3.31;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM433610;MM433610;CC#CC(=CC1CO1)CF;CXOBRAQKBPRENO-UHFFFAOYSA-N;140.16;1.3;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4_SP1";;;;;;;1.37;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM433611;MM433611;C=CCC1OC1(C=C)C=C;BAFFUTVIORLQAC-UHFFFAOYSA-N;136.19;2.07;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4_SNa";;;;;;;2.2;;0.34;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM433612;MM433612;O=CC(C#CC=CF)C=O;AXSQCRQVZVVRAZ-UHFFFAOYSA-N;140.11;0.49;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_Na";;;;;;;1.64;;-0.05;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM433613;MM433613;Cc1ccnc(=NO)n1O;GMTZYNBGYCEJSZ-UHFFFAOYSA-N;141.13;-0.28;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP1_SP3";;;;;;;-1.93;;-4.72;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM433614;MM433614;C=CCC1CC(=NO)CO1;SOHXOGRTDIPSDL-UHFFFAOYSA-N;141.17;1.18;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP2_SC5";;;;;;;0.54;;-1.09;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM433615;MM433615;N=Cn1nnc(F)c1N;HDJJNYQNXRETEY-UHFFFAOYSA-N;129.1;-0.55;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP1_SP2";;;;;;;-1.06;;-3.82;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM433616;MM433616;CC#CC(CC)=NN1CC1;YLQQOZQZLFNMDQ-UHFFFAOYSA-N;136.2;1.09;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_SP2";;;;;;;0.54;;-1.09;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM433617;MM433617;C=CC1(C=C)OC1CC=O;PMMLXOOYUPAYCC-UHFFFAOYSA-N;138.17;1.09;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNa_Na";;;;;;;0.87;;-2.22;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM433618;MM433618;N#CC(C#N)C#CC=CF;PAEMRJYBEGVCQS-UHFFFAOYSA-N;134.11;1.14;;;;;DOPC;MDCG;27;-1;"MARTINI bead: C4_P1";;;;;;;1.37;;-2.23;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM433619;MM433619;CN=c1nccc(N)n1O;WGHAPNUKPBNONQ-UHFFFAOYSA-N;140.15;-0.77;;;;;DOPC;MDCG;27;1;"MARTINI bead: SP1_SP2";;;;;;;-1.06;;-7.97;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM433620;MM433620;N#CCC1CC(=NO)CO1;VEJXFDQRMZBTOC-UHFFFAOYSA-N;140.14;0.52;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP2_SNa";;;;;;;-0.24;;-3.24;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM433621;MM433621;CCC(N)C1CC1CNC;DJOHKOVNIUMEHL-UHFFFAOYSA-N;142.25;0.58;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_SNd";;;;;;;0.87;;-5.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM433622;MM433622;C=CC1(C=C)OC1CC#N;INWRKJZFRBTJRK-UHFFFAOYSA-N;135.17;1.41;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNa_P1";;;;;;;0.04;;-2.54;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM433623;MM433623;C=CC(C#CC)=CC1CC1;LXEGXKHVDMKGAE-UHFFFAOYSA-N;132.21;2.53;;;;;DOPC;MDCG;27;0;"MARTINI bead: C2_SC5";;;;;;;3.6;;0.34;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM433624;MM433624;C=CC(C#N)C#CC=NO;XZTZEYLILMVFMI-UHFFFAOYSA-N;134.14;0.78;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_N0";;;;;;;0.34;;-1.53;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM433625;MM433625;NN=c1nccc(N)n1O;CUMQNUUEIYXRJP-UHFFFAOYSA-N;141.13;-1.52;;;;;DOPC;MDCG;27;1;"MARTINI bead: SP1_SP3";;;;;;;-1.93;;-7.02;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM433626;MM433626;CNCC1CC1C(N)CN;XAVNJPUFNKOOHV-UHFFFAOYSA-N;143.23;-0.87;;;;;DOPC;MDCG;27;1;"MARTINI bead: SNd_P4";;;;;;;-1.19;;-7.8;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM433627;MM433627;N#CCC1CC(=NO)NO1;STXYQCCIEARFPD-UHFFFAOYSA-N;141.13;-0.02;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP2_SP1";;;;;;;-1.06;;-3.82;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM433628;MM433628;C=CCC1OC1(C=C)C=O;HJMBUFCPQPQZRK-UHFFFAOYSA-N;138.17;1.09;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4_SNa";;;;;;;2.2;;0.34;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM433629;MM433629;C#CC(C#CC=CC)C=C;IRSCNBVAMJWGIC-UHFFFAOYSA-N;130.19;2;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4_C5";;;;;;;2.97;;0.45;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM433630;MM433630;CC#CC(C#N)=CC1CC1;URECPRAKXCTAFT-UHFFFAOYSA-N;131.18;1.87;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_SC5";;;;;;;2.41;;0.64;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM433631;MM433631;C=NN=CC(CCF)=NN;QZHYGQZZYDMRIK-UHFFFAOYSA-N;144.15;0.35;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_N0";;;;;;;0.34;;-1.53;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM433632;MM433632;CNCC1CC1C(N)CO;FWZWGDFUGARFMT-UHFFFAOYSA-N;144.22;-0.84;;;;;DOPC;MDCG;27;1;"MARTINI bead: SNd_P3";;;;;;;-1.1;;-7.08;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM433633;MM433633;CN=C1CCC(CC#N)N1;FWLGYKFSMPYWQH-UHFFFAOYSA-N;137.19;0.68;;;;;DOPC;MDCG;27;1;"MARTINI bead: SNd_SP1";;;;;;;0.04;;-6.47;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM433634;MM433634;C#CC(C#CC=CF)C=C;HNBWZXZTHMFXAE-UHFFFAOYSA-N;134.15;1.91;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_C5";;;;;;;2.41;;0.64;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM433635;MM433635;CC#CC(C#N)=CC1CN1;ZTIKGCAYHMJYAW-UHFFFAOYSA-N;132.17;0.43;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_SP2";;;;;;;0.54;;-1.09;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM433636;MM433636;C=CCC1OC1(C#N)C=C;YNQNEURRDLPSGA-UHFFFAOYSA-N;135.17;1.41;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4_SNa";;;;;;;2.2;;0.34;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM433637;MM433637;C=CCC(C=NN=C)=NN;QPMSSIYKPAGZJC-UHFFFAOYSA-N;138.17;0.56;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nd_N0";;;;;;;1.17;;-1.04;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM433638;MM433638;CNCC1CC1C(O)CN;ZWMVUESEIUXBET-UHFFFAOYSA-N;144.22;-0.84;;;;;DOPC;MDCG;27;1;"MARTINI bead: SNd_P3";;;;;;;-1.1;;-6.81;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM433639;MM433639;C=CCC1CCC(=NN)N1;PICBSBMPOOMKFH-UHFFFAOYSA-N;139.2;0.59;;;;;DOPC;MDCG;27;1;"MARTINI bead: SNd_SN0";;;;;;;1.17;;-2.81;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM433640;MM433640;C#CC(C#CC=CC)C=O;TVODRXDJKLLRSC-UHFFFAOYSA-N;132.16;1.01;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4_Na";;;;;;;2.2;;0.34;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM433641;MM433641;C=CC1(C#N)OC1CC=O;NQQZRHGPNIHHBF-UHFFFAOYSA-N;137.14;0.42;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNa_Na";;;;;;;0.87;;-2.22;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM433642;MM433642;CC#CC(C=O)=CC1CO1;DYJQKWOCITUMPM-UHFFFAOYSA-N;136.15;0.53;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_SP1";;;;;;;0.81;;-0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM433643;MM433643;Cc1cnnc(=NO)n1C;UTWPWMFBQFCUMJ-UHFFFAOYSA-N;140.15;-0.59;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP3_SP1";;;;;;;-1.93;;-4.72;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM433644;MM433644;CNCC1CC1C(F)CN;UFNIPZONSQJNPR-UHFFFAOYSA-N;146.21;0.14;;;;;DOPC;MDCG;27;1;"MARTINI bead: SNd_P2";;;;;;;-0.24;;-6.29;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM433645;MM433645;NN=c1ncc(F)cn1N;GWJZJPVSCAJPOV-UHFFFAOYSA-N;143.13;-1.49;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP2_SNa";;;;;;;-0.24;;-3.24;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM433646;MM433646;C=CC1(C#N)OC1CC#N;TWWKJWPGMQHKGN-UHFFFAOYSA-N;134.14;0.75;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNa_P1";;;;;;;0.04;;-2.54;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM433647;MM433647;C#CC(C#CC=CF)C=O;DFZGEFRMFQXJIK-UHFFFAOYSA-N;136.13;0.92;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_Na";;;;;;;1.64;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM433648;MM433648;CC#CC(C#N)=CC1CO1;BGFAWCZFRKEWRG-UHFFFAOYSA-N;133.15;0.86;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_SP1";;;;;;;0.81;;-0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM433649;MM433649;CN=c1nncc(N)n1C;WLCUPODIHGJSCW-UHFFFAOYSA-N;139.16;-1.07;;;;;DOPC;MDCG;27;1;"MARTINI bead: SP2_SP2";;;;;;;-1.34;;-7.75;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM433650;MM433650;CCCC1CC1C(C)NC;NMBFSMUPKZBTHX-UHFFFAOYSA-N;141.26;2.03;;;;;DOPC;MDCG;27;1;"MARTINI bead: SC2_Nd";;;;;;;2.83;;-1.16;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM433651;MM433651;C=CCC1CNC(=NC)N1;HPDMJZKRAOZAEG-UHFFFAOYSA-N;139.2;0.11;;;;;DOPC;MDCG;27;1;"MARTINI bead: SP1_SP1";;;;;;;-0.79;;-7.55;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM433652;MM433652;N#CC1(C#N)OC1CC=O;PKRZFMUQMAEDOX-UHFFFAOYSA-N;136.11;-0.24;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_SP1";;;;;;;0.04;;-2.54;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM433653;MM433653;C#CC(C#CC=NN)C=C;RPGSMVXBLNMBNC-UHFFFAOYSA-N;132.17;0.37;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_C5";;;;;;;0.81;;-0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM433654;MM433654;CC#CC(C#N)=CN1CC1;DPSKLSCVFBGXSO-UHFFFAOYSA-N;132.17;0.73;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_SP2";;;;;;;0.54;;-1.09;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM433655;MM433655;Cn1c(N)cnnc1=NN;WAXACHLXSALEPH-UHFFFAOYSA-N;140.15;-1.83;;;;;DOPC;MDCG;27;1;"MARTINI bead: SP2_SP2";;;;;;;-1.34;;-5.81;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM433656;MM433656;C=CCN1CC1(C=C)C=C;YRMWJOXPOPCXIM-UHFFFAOYSA-N;135.21;1.6;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_SP1";;;;;;;-0.79;;-3.13;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM433657;MM433657;CCCC1CC1C(C)OC;GPDVZTGTUXDCNK-UHFFFAOYSA-N;142.24;2.46;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC2_Na";;;;;;;2.83;;0.35;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM433658;MM433658;CN=C1NCC(CC#N)N1;IWBYKEGJBLVSIQ-UHFFFAOYSA-N;138.17;-0.55;;;;;DOPC;MDCG;27;1;"MARTINI bead: SP1_SP2";;;;;;;-1.06;;-6.96;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM433659;MM433659;C#CC(C#CC=NO)C=C;SDXHEKJGECCONY-UHFFFAOYSA-N;133.15;0.89;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_C5";;;;;;;0.81;;-0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM433660;MM433660;CC#CC(C#N)=NN1CC1;YWOWKFIYTPWTPK-UHFFFAOYSA-N;133.15;0.2;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_SP2";;;;;;;-1.06;;-3.82;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM433661;MM433661;CNCC(C#N)=NNC=N;BRSFIDMZDGSHAZ-UHFFFAOYSA-N;139.16;-0.72;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_P1";;;;;;;-0.79;;-3.13;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM433662;MM433662;CCCC(O)CC1CC1C;ALCLDNGYTQHPAU-UHFFFAOYSA-N;142.24;2.19;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_SC5";;;;;;;2.41;;0.64;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM433663;MM433663;C#CC(C#C)C#CC=CC;KIHKURYGXKQHKZ-UHFFFAOYSA-N;128.17;1.45;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4_N0";;;;;;;2.5;;0.44;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM433664;MM433664;NN=C1CCC(=NN)C1;WODKCBZLDGYCLG-UHFFFAOYSA-N;126.16;-0.2;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNd_SNd";;;;;;;0.87;;-2.11;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM433665;MM433665;C=NNC=NOCC#CC;CQNSKBCWYOQIPA-UHFFFAOYSA-N;139.16;0.17;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_P1";;;;;;;0.81;;-0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM433666;MM433666;C#CC(C#CC)=CC1CC1;SLZBNEBDYGKBCP-UHFFFAOYSA-N;130.19;1.98;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4_SC5";;;;;;;2.97;;0.45;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM433667;MM433667;CN=c1nncc(F)n1C;NVMJQFLSYUINNZ-UHFFFAOYSA-N;142.14;-0.52;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP2_SP2";;;;;;;-1.34;;-4.31;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM433668;MM433668;C=CC1(C=C)CN1CC#N;MBSYKZWPOGEEIJ-UHFFFAOYSA-N;134.18;0.94;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP1_P3";;;;;;;-1.93;;-4.72;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM433669;MM433669;CCOC1CC1C(O)CN;KKMKSXBEALYEQZ-UHFFFAOYSA-N;145.2;-0.27;;;;;DOPC;MDCG;27;1;"MARTINI bead: SNa_P3";;;;;;;-1.1;;-6.34;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM433670;MM433670;C#CC(C#C)C#CC=CF;AGBVWKLEPLFTOH-UHFFFAOYSA-N;132.14;1.36;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_N0";;;;;;;1.94;;0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM433671;MM433671;NN=COCC=NOC=O;NEIWFMFVWGSEKB-UHFFFAOYSA-N;145.12;-0.94;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda_P2";;;;;;;-0.24;;-3.31;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM433672;MM433672;C#CC(C#CC)=CC1CO1;JDSZPRCVFKZWGS-UHFFFAOYSA-N;132.16;0.97;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4_SP1";;;;;;;1.37;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM433673;MM433673;CCOC(=NC=NC)NC;YDJOKOZXWXKDKS-UHFFFAOYSA-N;143.19;0.26;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda_N0";;;;;;;1.17;;-1.13;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM433674;MM433674;C#CC(C#C)C#CC=NN;JSJODULURNUFQX-UHFFFAOYSA-N;130.15;-0.18;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nd_C5";;;;;;;1.64;;0.02;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM433675;MM433675;C=CCN1CC1(C#N)C=C;DUMZDLSUBVAUMB-UHFFFAOYSA-N;134.18;0.94;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_SP1";;;;;;;-0.79;;-3.13;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM433676;MM433676;CCOC1CC1C(O)CF;AECYVUPRJNBBDK-UHFFFAOYSA-N;148.18;0.74;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNa_P2";;;;;;;-0.24;;-3.24;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM433677;MM433677;C=CCC1COC(=NO)N1;CULNJDNCBWJMDD-UHFFFAOYSA-N;142.16;0.3;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP2_SP1";;;;;;;-1.06;;-3.82;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM433678;MM433678;C#CC(C#CC)=NN1CC1;CIXTYMOWKWHVRC-UHFFFAOYSA-N;132.17;0.31;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_SP2";;;;;;;0.54;;-1.09;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM433679;MM433679;Cn1c(F)cnnc1=NO;JXBJVBLKQWCLSK-UHFFFAOYSA-N;144.11;-0.76;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP2_SP2";;;;;;;-1.34;;-4.31;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM433680;MM433680;C=CC1(C=O)CN1CC#N;HNOABNZXEMOHBD-UHFFFAOYSA-N;136.15;-0.05;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP2_P3";;;;;;;-2.2;;-5.19;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM433681;MM433681;C#CC(C#C)C#CC=NO;AAQKUFZKTZHUPB-UHFFFAOYSA-N;131.13;0.33;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_C5";;;;;;;0.81;;-0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM433682;MM433682;NCCC1NC1C(N)CO;FDZWQFQTVWBBAV-UHFFFAOYSA-N;145.21;-2;;;;;DOPC;MDCG;27;1;"MARTINI bead: SP2_P3";;;;;;;-2.2;;-7.65;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM433683;MM433683;CCCC(C)CCC1CC1;GIMQASNKLCRRKW-UHFFFAOYSA-N;140.27;3.61;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1_SC5";;;;;;;3.68;;0.46;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM433684;MM433684;CN=c1nncc(F)n1N;KSTDTTHIRBWUHH-UHFFFAOYSA-N;143.13;-1.34;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP2_SP2";;;;;;;-1.34;;-4.31;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM433685;MM433685;C=CCC1CCC(=CC)O1;ISAICZQJHCPLEW-UHFFFAOYSA-N;138.21;2.65;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC5_SC5";;;;;;;2.41;;0.64;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM433686;MM433686;CC#CC#CC(CC)CC;YPGBXIHJBYYIRI-UHFFFAOYSA-N;134.22;2.45;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1_C4";;;;;;;4.24;;0.42;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM433687;MM433687;NC(CO)C1NC1CCO;DPGBIGXNONHVQU-UHFFFAOYSA-N;146.19;-1.97;;;;;DOPC;MDCG;27;1;"MARTINI bead: P3_SP2";;;;;;;-2.2;;-6.81;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM433688;MM433688;C=CCc1nc(N)c(C)o1;SHQFJPRBLMKTQY-UHFFFAOYSA-N;138.17;1.29;;;;;DOPC;MDCG;27;0;"MARTINI bead: SN0_SNda";;;;;;;1.17;;-1.13;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM433689;MM433689;C=NN=CC(=NN)C(C)C;YXKFXFLKVDFBBF-UHFFFAOYSA-N;140.19;0.64;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nd_N0";;;;;;;1.17;;-1.04;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM433690;MM433690;CC(CCN)CCC1CC1;HXFUYVMPJLSTQZ-UHFFFAOYSA-N;141.26;2.16;;;;;DOPC;MDCG;27;1;"MARTINI bead: C5_SC5";;;;;;;2.41;;-0.48;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM433691;MM433691;CCCC#CC1NC1C=O;OQDRJHCMSGPHRO-UHFFFAOYSA-N;137.18;0.33;;;;;DOPC;MDCG;27;0;"MARTINI bead: C3_SP2";;;;;;;1.46;;-0.15;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM433692;MM433692;C=CC1(C#N)CN1CC#N;ILKNAMZAWZMIDN-UHFFFAOYSA-N;133.15;0.27;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP1_P3";;;;;;;-1.93;;-4.72;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM433693;MM433693;CC#CC#CC(CC)CN;BLVBDHABYVDKBW-UHFFFAOYSA-N;135.21;1;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_C4";;;;;;;2.2;;-1.79;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM433694;MM433694;NCCC1NC1C(N)CF;KHZBVIJFTDOQQM-UHFFFAOYSA-N;147.2;-1.03;;;;;DOPC;MDCG;27;1;"MARTINI bead: SP2_P2";;;;;;;-1.34;;-6.76;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM433695;MM433695;Nn1c(F)cnnc1=NO;NPFFZXCMCKKYHZ-UHFFFAOYSA-N;145.1;-1.58;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP2_SP3";;;;;;;-2.2;;-5.19;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM433696;MM433696;CCCC(N)CCC1CC1;OENZYWFTZFMLIH-UHFFFAOYSA-N;141.26;2.3;;;;;DOPC;MDCG;27;1;"MARTINI bead: C5_SC5";;;;;;;2.41;;-0.72;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM433697;MM433697;Nc1ncnn1N;ANTLWPDCHMZLDV-UHFFFAOYSA-N;99.1;-1.43;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP2_SP3";;;;;;;-2.2;;-5.19;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM433698;MM433698;NCCC1NC1C(O)CN;DTUPZCAKJKPYFM-UHFFFAOYSA-N;145.21;-2;;;;;DOPC;MDCG;27;1;"MARTINI bead: SP2_P3";;;;;;;-2.2;;-7.68;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM433699;MM433699;C=CCN1CC1(C#N)C#N;PMILEPISRYZGRA-UHFFFAOYSA-N;133.15;0.27;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_SP2";;;;;;;-1.06;;-3.82;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM433700;MM433700;CC#CC#CC(CC)CO;IXASMYXHAKFIDQ-UHFFFAOYSA-N;136.19;1.03;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda_C4";;;;;;;2.2;;0.49;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM433701;MM433701;NCCC(N)CCC1CC1;JHMASHCTJFGBFN-UHFFFAOYSA-N;142.25;0.85;;;;;DOPC;MDCG;27;1;"MARTINI bead: P2_SC5";;;;;;;0.54;;-3.96;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM433702;MM433702;CCC1CC2(O)CC1C2C;VSMKIFQKIVVIEL-UHFFFAOYSA-N;140.23;1.8;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC1_SNda";;;;;;;2.91;;0.57;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM433703;MM433703;C#CCC1CCC(=CC)C1;DOYULUNCSHNCSB-UHFFFAOYSA-N;134.22;2.76;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC1_SC2";;;;;;;4.87;;0.53;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM433704;MM433704;NCCC1NC1C(O)CF;IJVSJNYCHLFKHX-UHFFFAOYSA-N;148.18;-0.99;;;;;DOPC;MDCG;27;1;"MARTINI bead: SP2_P2";;;;;;;-1.34;;-6.75;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM433705;MM433705;N#CC1(C=O)CN1CC=O;ZZQUAIZUISHDJC-UHFFFAOYSA-N;138.13;-1.04;;;;;DOPC;MDCG;27;0;"MARTINI bead: P5_SP2";;;;;;;-2.22;;-6.53;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM433706;MM433706;CC#CC#CC(CC)CF;MJKBKJNOYBSFPL-UHFFFAOYSA-N;138.19;2.01;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4_C4";;;;;;;3.53;;0.53;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM433707;MM433707;C=C1COC(=NN)C1C;WVCDSJYQRLQJJS-UHFFFAOYSA-N;126.16;0.48;;;;;DOPC;MDCG;27;0;"MARTINI bead: SN0_SNda";;;;;;;1.17;;-1.13;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM433708;MM433708;Nc1nnc(=O)n(N)c1F;JNOJDBBZHNMVBW-UHFFFAOYSA-N;145.1;-1.93;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP3_SP1";;;;;;;-1.93;;-4.72;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM433709;MM433709;CCCC1NC1C(F)CN;NONALNPIUALDDI-UHFFFAOYSA-N;146.21;0.42;;;;;DOPC;MDCG;27;1;"MARTINI bead: SNd_P2";;;;;;;-0.24;;-4.31;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM433710;MM433710;C=CC1(C=C)CN1NC=N;ZNFGQOOTDZXXDZ-UHFFFAOYSA-N;137.19;0.52;;;;;DOPC;MDCG;27;1;"MARTINI bead: SP1_P4";;;;;;;-2.01;;-7.77;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM433711;MM433711;C#CCC1CCC(=CF)C1;BSKNXPZZEFGNSI-UHFFFAOYSA-N;138.19;2.66;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC4_SC2";;;;;;;4.16;;0.44;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM433712;MM433712;CC#CC#CC(CO)CO;VHGPOBWVVOOVNC-UHFFFAOYSA-N;138.17;-0.39;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4_P3";;;;;;;0.23;;-1.03;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM433713;MM433713;CN=c1ncnc(C)n1C;DMSHOOXBOQYXGF-UHFFFAOYSA-N;138.17;-0.35;;;;;DOPC;MDCG;27;1;"MARTINI bead: SP2_SP1";;;;;;;-1.06;;-4.84;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM433714;MM433714;CC(CCN)CNC1CC1;UFOSOZUQLHTTOY-UHFFFAOYSA-N;142.25;0.72;;;;;DOPC;MDCG;27;1;"MARTINI bead: C5_SP1";;;;;;;0.81;;-3.68;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM433715;MM433715;CC(C)C(O)CC1(C)CC1;HIVDRXYXMYUQMO-UHFFFAOYSA-N;142.24;2.19;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda_SC4";;;;;;;2.2;;0.49;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM433716;MM433716;C#CCC1CCC(=NN)C1;RJHKWAXYIAZTGE-UHFFFAOYSA-N;136.2;1.12;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNd_SC2";;;;;;;2.83;;0.62;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM433717;MM433717;C=CC1(C=C)CN1NC=O;MZYBRTQWGTVJJE-UHFFFAOYSA-N;138.17;0.07;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP1_P4";;;;;;;-2.01;;-5.13;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM433718;MM433718;CC#CC#CC(CC)NC;LKZZYLKWDGCJRB-UHFFFAOYSA-N;135.21;1.01;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_C4";;;;;;;2.2;;-1.04;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM433719;MM433719;Cc1ncnc(=NO)n1C;PJVSYIGGOAKHLQ-UHFFFAOYSA-N;140.15;-0.59;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP1_SP3";;;;;;;-1.93;;-4.72;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM433720;MM433720;CNCC1NC1C(C)CN;WUACIXLHRXFUGX-UHFFFAOYSA-N;143.23;-0.86;;;;;DOPC;MDCG;27;1;"MARTINI bead: SP2_Nd";;;;;;;-0.24;;-5.78;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM433721;MM433721;CCCC(N)CCC1CN1;HMXJICDVHFTODS-UHFFFAOYSA-N;142.25;0.87;;;;;DOPC;MDCG;27;1;"MARTINI bead: C5_SP1";;;;;;;0.81;;-3.51;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM433722;MM433722;C#CCC1CNC(=NC)C1;FMNUNMZMYZTLPG-UHFFFAOYSA-N;136.2;0.65;;;;;DOPC;MDCG;27;1;"MARTINI bead: SNd_SN0";;;;;;;1.17;;-5.33;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM433723;MM433723;C=CC1(C=O)CN1NC=N;AYIXBSKPGZAOPO-UHFFFAOYSA-N;139.16;-0.46;;;;;DOPC;MDCG;27;1;"MARTINI bead: SP2_P4";;;;;;;-2.29;;-8.53;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM433724;MM433724;CC#CC#CC(CC)OC;YUDHQVUYPSWWKJ-UHFFFAOYSA-N;136.19;1.44;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_C4";;;;;;;2.2;;0.34;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM433725;MM433725;CN=c1ncnc(N)n1C;MXBGATWTPDIKRY-UHFFFAOYSA-N;139.16;-1.07;;;;;DOPC;MDCG;27;1;"MARTINI bead: SP2_SP1";;;;;;;-1.06;;-6.5;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM433726;MM433726;CNCC1NC1C(N)CN;ZMVJIGRFPAZYKY-UHFFFAOYSA-N;144.22;-2.17;;;;;DOPC;MDCG;27;1;"MARTINI bead: SP2_P4";;;;;;;-2.29;;-8.15;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM433727;MM433727;C#CCC1CNC(=NN)C1;DNYBHVCDFLDIGD-UHFFFAOYSA-N;137.19;-0.11;;;;;DOPC;MDCG;27;1;"MARTINI bead: SNd_SN0";;;;;;;1.17;;-3.05;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM433728;MM433728;C=CC1(C#N)CN1NC=N;LKMURFOVWVQKQW-UHFFFAOYSA-N;136.16;-0.14;;;;;DOPC;MDCG;27;1;"MARTINI bead: SP1_P4";;;;;;;-2.01;;-7.7;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM433729;MM433729;CC(CCN)NCC1CN1;CHPDUFNWKFEHAC-UHFFFAOYSA-N;143.23;-0.71;;;;;DOPC;MDCG;27;1;"MARTINI bead: P2_SP1";;;;;;;-1.06;;-6.4;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM433730;MM433730;CC#CC#CC(CN)OC;QTMBOAFMJWLDPD-UHFFFAOYSA-N;137.18;-0.01;;;;;DOPC;MDCG;27;1;"MARTINI bead: P2_C4";;;;;;;1.09;;-1.91;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM433731;MM433731;Cn1c(N)ncnc1=NN;REBDDXFKWMBGFQ-UHFFFAOYSA-N;140.15;-1.83;;;;;DOPC;MDCG;27;1;"MARTINI bead: SP1_SP2";;;;;;;-1.06;;-5.83;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM433732;MM433732;CCC(O)C1NC1CNC;XSSGPDKFVYYQOM-UHFFFAOYSA-N;144.22;-0.68;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nda_SP2";;;;;;;-0.24;;-5.12;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM433733;MM433733;C=C(C)C(C)(O)CC;NUQVAZDQPMKWSI-UHFFFAOYSA-N;114.19;1.72;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_N0";;;;;;;1.94;;0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM433734;MM433734;C=CC1(C=O)CN1NC=O;TXRMFEBYWFMFFK-UHFFFAOYSA-N;140.14;-0.91;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP2_P4";;;;;;;-2.29;;-5.95;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM433735;MM433735;CCCN(C)CCC1CN1;RLOJZRFXGGECRI-UHFFFAOYSA-N;142.25;0.69;;;;;DOPC;MDCG;27;1;"MARTINI bead: C5_SP1";;;;;;;0.81;;-2.97;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM433736;MM433736;CC#CC#CC(CO)OC;ZJPAHTJWKCFKRZ-UHFFFAOYSA-N;138.17;0.02;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_C4";;;;;;;1.09;;-0.38;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM433737;MM433737;ON=c1oc(O)nn1O;BGHHWTWAEQTOFN-UHFFFAOYSA-N;133.06;-1.29;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP2_SP1";;;;;;;-1.06;;-8.94;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM433738;MM433738;CNCC1NC1C(O)CF;KQUUULPJHOYUEV-UHFFFAOYSA-N;148.18;-1.12;;;;;DOPC;MDCG;27;1;"MARTINI bead: SP2_P2";;;;;;;-1.34;;-6.11;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM433739;MM433739;C=CC1(C#N)CN1NC=O;SGTPHWHBQMHTNK-UHFFFAOYSA-N;137.14;-0.59;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP1_P4";;;;;;;-2.01;;-5.13;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM433740;MM433740;C#CCC1COC(=CF)C1;AYPSAACLUDURGB-UHFFFAOYSA-N;140.16;1.86;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNa_SC5";;;;;;;1.64;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM433741;MM433741;CC(CCN)CCC1CO1;BUMOFKZPTDJDNU-UHFFFAOYSA-N;143.23;1.15;;;;;DOPC;MDCG;27;1;"MARTINI bead: C5_SNa";;;;;;;1.64;;-2.72;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM433742;MM433742;CC#CC#CC(CF)OC;OQOVIADAHBUUBX-UHFFFAOYSA-N;140.16;1;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_C4";;;;;;;2.2;;0.34;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM433743;MM433743;Nn1c(O)noc1=O;BAMPCCNRWPFEME-UHFFFAOYSA-N;117.06;-1.74;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP1_SP3";;;;;;;-1.93;;-9.07;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM433744;MM433744;CNCC1NC1C(C)NC;DECCNHWUTGYWRC-UHFFFAOYSA-N;143.23;-0.85;;;;;DOPC;MDCG;27;1;"MARTINI bead: SP2_Nd";;;;;;;-0.24;;-5.6;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM433745;MM433745;C#CCC1COC(=NO)C1;XHSQTAYQQZWXCC-UHFFFAOYSA-N;139.15;0.83;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP1_SC5";;;;;;;0.81;;-0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM433746;MM433746;N#CC1(C#N)CN1NC=N;DOWDBRJMALOOQV-UHFFFAOYSA-N;135.13;-0.8;;;;;DOPC;MDCG;27;1;"MARTINI bead: P4_SP2";;;;;;;-2.29;;-8.43;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM433747;MM433747;CC#CC#CC(OC)OC;QSULHVRFZBQMQA-UHFFFAOYSA-N;138.17;0.63;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_C4";;;;;;;1.37;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM433748;MM433748;CCCC(F)CCC1CO1;QXTAYYIYIVJHFP-UHFFFAOYSA-N;146.21;2.3;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1_SNa";;;;;;;2.91;;0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM433749;MM433749;CC(=O)C#CC#CC1CN1;AOJWXESMJHHFEW-UHFFFAOYSA-N;133.15;-0.45;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_SP1";;;;;;;0.04;;-2.54;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM433750;MM433750;CCCC1OC1C(C)CC;UDPIXNFEKNUWDT-UHFFFAOYSA-N;142.24;2.6;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNa_C1";;;;;;;2.91;;0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM433751;MM433751;C=CC(C#CC#CC)CC;NGAQBOKCWBBQKM-UHFFFAOYSA-N;132.21;2.23;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1_C4";;;;;;;4.24;;0.42;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM433752;MM433752;C#CCC1CC(=CF)CN1;GHFXVHFFPDIBPQ-UHFFFAOYSA-N;139.17;1.23;;;;;DOPC;MDCG;27;1;"MARTINI bead: SP1_SNd";;;;;;;0.04;;-4.91;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM433753;MM433753;CCCN(C)CCC1CO1;ZHLYOUJIGFEOMP-UHFFFAOYSA-N;143.23;1.12;;;;;DOPC;MDCG;27;1;"MARTINI bead: C5_SNa";;;;;;;1.64;;-2.5;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM433754;MM433754;N#CC1(C=O)CN1NC=O;FJWDGWRRZPIYFZ-UHFFFAOYSA-N;139.11;-1.58;;;;;DOPC;MDCG;27;0;"MARTINI bead: P4_SP2";;;;;;;-2.29;;-5.95;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM433755;MM433755;Cc1ncnc(=NO)n1N;HSFBUDQGOQHINM-UHFFFAOYSA-N;141.13;-1.41;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP1_SP3";;;;;;;-1.93;;-4.72;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM433756;MM433756;CCCC1OC1C(C)CN;VJZIDXSOLROIAG-UHFFFAOYSA-N;143.23;1.15;;;;;DOPC;MDCG;27;1;"MARTINI bead: SNa_Nd";;;;;;;0.87;;-4.62;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM433757;MM433757;CC#CC#CC(C=O)CC;XLAWUSWOCNHYFH-UHFFFAOYSA-N;134.18;1.24;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_C4";;;;;;;2.97;;0.45;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM433758;MM433758;CC(CCN)CCN1CC1;APOZULPXDXTINB-UHFFFAOYSA-N;142.25;0.68;;;;;DOPC;MDCG;27;1;"MARTINI bead: C5_SP1";;;;;;;0.81;;-3.27;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM433759;MM433759;C#CCC1CC(=NO)CN1;RSKDHTIETZGMLB-UHFFFAOYSA-N;138.17;0.2;;;;;DOPC;MDCG;27;1;"MARTINI bead: SP3_SNd";;;;;;;-1.1;;-5.41;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM433760;MM433760;N#CC1(C#N)CN1NC=O;XGNVFDZXZIQMAK-UHFFFAOYSA-N;136.11;-1.25;;;;;DOPC;MDCG;27;0;"MARTINI bead: P4_SP2";;;;;;;-2.29;;-5.95;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM433761;MM433761;CN=c1ncnc(N)n1N;QBEDXBFVTMKOCJ-UHFFFAOYSA-N;140.15;-1.9;;;;;DOPC;MDCG;27;1;"MARTINI bead: SP3_SP1";;;;;;;-1.93;;-7.05;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM433762;MM433762;CCCC1OC1C(C)CO;NHVZKEJASHBPQB-UHFFFAOYSA-N;144.21;1.18;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNa_Nda";;;;;;;0.87;;-1.99;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM433763;MM433763;CC#CC#CC(C#N)CC;VADWKJNVNYAGFP-UHFFFAOYSA-N;131.18;1.56;;;;;DOPC;MDCG;27;0;"MARTINI bead: N0_C4";;;;;;;2.5;;0.44;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM433764;MM433764;CCCN(C)CCN1CC1;RGYKIUQNRUUCRI-UHFFFAOYSA-N;142.25;0.64;;;;;DOPC;MDCG;27;1;"MARTINI bead: C5_SP1";;;;;;;0.81;;-2.32;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM433765;MM433765;C#CCC1CC(=NC)NN1;PAXJLRNSOBYSLE-UHFFFAOYSA-N;137.19;-0.1;;;;;DOPC;MDCG;27;1;"MARTINI bead: SP2_SP1";;;;;;;-1.06;;-6.35;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM433766;MM433766;C#CCC1CC1(C=C)C=C;URRRPHUXFIMSTP-UHFFFAOYSA-N;132.21;2.39;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC4_N0";;;;;;;2.5;;0.44;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM433767;MM433767;CCCC1OC1C(C)CF;WNNREXOJIXLSHI-UHFFFAOYSA-N;146.21;2.16;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNa_C4";;;;;;;2.2;;0.34;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM433768;MM433768;NN=c1ncnc(N)n1N;OGACKZANWZDBCJ-UHFFFAOYSA-N;141.14;-2.65;;;;;DOPC;MDCG;27;1;"MARTINI bead: SP3_SP1";;;;;;;-1.93;;-6.75;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM433769;MM433769;C=CC(C#CC#CC)CN;XVMGNFGPSPXRDR-UHFFFAOYSA-N;133.19;0.77;;;;;DOPC;MDCG;27;1;"MARTINI bead: C4_Nd";;;;;;;2.2;;-1.74;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM433770;MM433770;CC1(C)C=CCC1O;FXECCAQAMJYCKA-UHFFFAOYSA-N;112.17;1.33;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC3_SNda";;;;;;;2.57;;0.44;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM433771;MM433771;C=CCC(N)CCC1CC1;MZHOTPDLKFDIPF-UHFFFAOYSA-N;139.24;2.08;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_SC5";;;;;;;1.64;;-2.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM433772;MM433772;C#CCC1CC1(C#N)C=C;YNRFMNHMNWIHOJ-UHFFFAOYSA-N;131.18;1.73;;;;;DOPC;MDCG;27;0;"MARTINI bead: SN0_N0";;;;;;;1.47;;-0.05;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM433773;MM433773;CCCC1OC1C(N)CC;QOMFWMXUNDXCTG-UHFFFAOYSA-N;143.23;1.29;;;;;DOPC;MDCG;27;1;"MARTINI bead: SNa_Nd";;;;;;;0.87;;-4.18;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM433774;MM433774;C=CC(C#CC#CC)CO;GQCGLSDDTLZLKP-UHFFFAOYSA-N;134.18;0.81;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4_Nda";;;;;;;2.2;;0.49;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM433775;MM433775;CC1(C#N)OC1C(=O)O;WUTCVJGGRNQVBJ-UHFFFAOYSA-N;127.1;-0.25;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNa_P1";;;;;;;0.04;;-8.08;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM433776;MM433776;CCC(C)C(=NN)OC;QEFXZPNIWIXYJS-UHFFFAOYSA-N;130.19;0.95;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1_P1";;;;;;;2.08;;0.48;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM433777;MM433777;C#CCC1CC(=CC)CO1;APYIZUPKLLWDLX-UHFFFAOYSA-N;136.19;1.74;;;;;DOPC;MDCG;27;0;"MARTINI bead: SN0_SC5";;;;;;;1.94;;0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM433778;MM433778;C#CCC1CC1(C#N)C#N;JEXNUWGOCIJOOP-UHFFFAOYSA-N;130.15;1.06;;;;;DOPC;MDCG;27;0;"MARTINI bead: N0_SP1";;;;;;;0.34;;-1.53;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM433779;MM433779;CCCC1OC1C(N)CN;WHGGFHOYBUIVDF-UHFFFAOYSA-N;144.22;-0.16;;;;;DOPC;MDCG;27;1;"MARTINI bead: SNa_P4";;;;;;;-1.19;;-6.74;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM433780;MM433780;CN=C(CF)NC=CC#N;XTUMSWQAEDMZFK-UHFFFAOYSA-N;141.15;0.61;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_N0";;;;;;;0.34;;-1.53;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM433781;MM433781;CC#CC#CC(C=O)CO;MMPMKZAFXXZBHP-UHFFFAOYSA-N;136.15;-0.18;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4_P2";;;;;;;1.09;;-0.38;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM433782;MM433782;C=CCC(F)CCC1CC1;GZFMMDHWVAIVJI-UHFFFAOYSA-N;142.22;3.09;;;;;DOPC;MDCG;27;0;"MARTINI bead: C3_SC5";;;;;;;3.34;;0.48;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM433783;MM433783;C#CCC1CC(=CF)CO1;STASAOUISSALJR-UHFFFAOYSA-N;140.16;1.65;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNa_SC5";;;;;;;1.64;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM433784;MM433784;C#CCC1NC1(C#N)C#N;KPNSGQTZCGRZQJ-UHFFFAOYSA-N;131.14;-0.23;;;;;DOPC;MDCG;27;0;"MARTINI bead: N0_SP2";;;;;;;0.06;;-2.21;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM433785;MM433785;CC#CC#CC(C#N)CO;GBEIPYIKZHJYNI-UHFFFAOYSA-N;133.15;0.15;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4_P2";;;;;;;1.09;;-0.38;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM433786;MM433786;C=NNC=NC(=CF)OC;FKBDOUBNBCXUTQ-UHFFFAOYSA-N;145.14;0.63;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_P1";;;;;;;0.81;;-0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM433787;MM433787;NCCC1OC1C(N)CN;UCCUUWWFLKBKBP-UHFFFAOYSA-N;145.21;-1.61;;;;;DOPC;MDCG;27;1;"MARTINI bead: SP1_P4";;;;;;;-2.01;;-7.79;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM433788;MM433788;C=CCC(C)NCC1CC1;UGXAQDRVFKIASX-UHFFFAOYSA-N;139.24;1.95;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_SC5";;;;;;;1.64;;-3.25;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM433789;MM433789;C#CCC1CC(=NN)CO1;HCWARWRNLGUKTQ-UHFFFAOYSA-N;138.17;0.11;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP1_SC5";;;;;;;0.81;;-0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM433790;MM433790;C#CCN1CC1(C#N)C=C;RMTLMKZONMYQSE-UHFFFAOYSA-N;132.17;0.38;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP1_P2";;;;;;;-1.06;;-3.82;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM433791;MM433791;N#CC(=CF)C(O)C(=O)O;AXDNWVJTLDKJJI-UHFFFAOYSA-N;145.09;-0.19;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_Na";;;;;;;-0.24;;-8.46;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM433792;MM433792;C=CC(C#CC#CC)CF;TYZPTXSSOVBHSD-UHFFFAOYSA-N;136.17;1.78;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4_C5";;;;;;;2.97;;0.45;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM433793;MM433793;NCCC1OC1C(N)CO;BVFBXBTZGLOLRA-UHFFFAOYSA-N;146.19;-1.58;;;;;DOPC;MDCG;27;1;"MARTINI bead: SP1_P3";;;;;;;-1.93;;-7.4;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM433794;MM433794;C#CCC1CC(=NO)CO1;GISTZHIJUUZJFB-UHFFFAOYSA-N;139.15;0.63;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP2_SC5";;;;;;;0.54;;-1.09;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM433795;MM433795;C=CCC(C)CNC1CC1;AWBLIRMUSHKJIJ-UHFFFAOYSA-N;139.24;1.95;;;;;DOPC;MDCG;27;1;"MARTINI bead: C1_SP1";;;;;;;2.08;;-1.41;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM433796;MM433796;C#CC1(C=C)CC1CCC;PZRHAXCWQLGACE-UHFFFAOYSA-N;134.22;2.61;;;;;DOPC;MDCG;27;0;"MARTINI bead: C3_SC5";;;;;;;3.34;;0.48;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM433797;MM433797;CC#CC#CC(C=O)CF;DRGBGPMFGIZEGA-UHFFFAOYSA-N;138.14;0.8;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4_P1";;;;;;;1.37;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM433798;MM433798;N=c1nc2nn[nH]oc-2n1;HEAUOHQJUQHVPI-UHFFFAOYSA-N;138.09;-1.23;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP2_SP1";;;;;;;-1.06;;-8.95;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM433799;MM433799;CCCC1OC1C(O)CC;WTIVNKREIIKFPV-UHFFFAOYSA-N;144.21;1.32;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNa_Nda";;;;;;;0.87;;-1.99;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM433800;MM433800;CC(CC=O)CNC1CC1;FIIMRDFIALNJQV-UHFFFAOYSA-N;141.21;0.96;;;;;DOPC;MDCG;27;1;"MARTINI bead: C5_SP1";;;;;;;0.81;;-3.23;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM433801;MM433801;CC1C=CC(C)C1O;WXSICPVJXKOQGB-UHFFFAOYSA-N;112.17;1.19;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNda_SC4";;;;;;;2.2;;0.49;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM433802;MM433802;C#CC1(C=C)CC1CCN;WZVKNQRVWSBMKM-UHFFFAOYSA-N;135.21;1.16;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1_SC5";;;;;;;0.81;;-3.27;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM433803;MM433803;CC#CC#CC(C#N)CF;NQBCRSNSBGGVEN-UHFFFAOYSA-N;135.14;1.12;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4_Na";;;;;;;2.2;;0.34;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM433804;MM433804;N=c1nnc(=N)oc(O)n1;DFEVVSGTGPWEHH-UHFFFAOYSA-N;141.09;-1.87;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP3_SP3";;;;;;;-3.07;;-10.27;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM433805;MM433805;CCC(O)C1OC1CCN;MJHHTCKFYJXLNI-UHFFFAOYSA-N;145.2;-0.13;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nda_SP1";;;;;;;0.04;;-5.43;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM433806;MM433806;CC(CC#N)CNC1CC1;PSBOYFJBYKDEKK-UHFFFAOYSA-N;138.21;1.29;;;;;DOPC;MDCG;27;1;"MARTINI bead: C5_SP1";;;;;;;0.81;;-2.53;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM433807;MM433807;C#CCC1CCC(=NN)N1;QLKFJLYAXLZVDO-UHFFFAOYSA-N;137.19;0.03;;;;;DOPC;MDCG;27;1;"MARTINI bead: SNd_SN0";;;;;;;1.17;;-2.63;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM433808;MM433808;CNN=c1on(C)cc1N;BVEDDOGJHRLVTO-UHFFFAOYSA-N;142.16;-0.76;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP1_SP1";;;;;;;-0.79;;-3.13;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM433809;MM433809;CNN=c1cc(C)n(C)o1;KGJLSNDQMSKDSY-UHFFFAOYSA-N;141.17;-0.04;;;;;DOPC;MDCG;27;0;"MARTINI bead: SN0_SP1";;;;;;;0.34;;-1.53;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM433810;MM433810;CN=c1nnnc(C)n1C;ZWWLKLBKBXXSGR-UHFFFAOYSA-N;139.16;-0.95;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP2_SP2";;;;;;;-1.34;;-4.31;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM433811;MM433811;CCCC1OC1C(O)CN;ICYRXOZVSGVKQV-UHFFFAOYSA-N;145.2;-0.13;;;;;DOPC;MDCG;27;1;"MARTINI bead: SNa_P3";;;;;;;-1.1;;-6.28;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM433812;MM433812;C#CCC1CNC(=NC)N1;HWXRPEJPMJTERY-UHFFFAOYSA-N;137.19;-0.44;;;;;DOPC;MDCG;27;1;"MARTINI bead: SP1_SP2";;;;;;;-1.06;;-8.02;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM433813;MM433813;C=CCC(O)CNC1CC1;PRTWIXJDRBWSTQ-UHFFFAOYSA-N;141.21;0.68;;;;;DOPC;MDCG;27;1;"MARTINI bead: C5_SP1";;;;;;;0.81;;-2.79;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM433814;MM433814;C#CC1(C=C)CC1CCF;NNWPWSPFLBISGJ-UHFFFAOYSA-N;138.19;2.17;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_SC5";;;;;;;2.41;;0.64;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM433815;MM433815;C=CC(C#CC#CC)OC;XRVMLLSJOWZXLE-UHFFFAOYSA-N;134.18;1.21;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_C4";;;;;;;2.2;;0.34;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM433816;MM433816;CCC(C=NOC=O)=NN;GKGULYKAMBPMJX-UHFFFAOYSA-N;143.15;-0.13;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_P2";;;;;;;0.54;;-1.09;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM433817;MM433817;NCCC1OC1C(O)CO;AMQZXZXFYDTERP-UHFFFAOYSA-N;147.17;-1.54;;;;;DOPC;MDCG;27;1;"MARTINI bead: SP1_P3";;;;;;;-1.93;;-7.37;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM433818;MM433818;C#CCC1CNC(=NN)N1;FSKQUHBLLVQMJF-UHFFFAOYSA-N;138.17;-1.2;;;;;DOPC;MDCG;27;1;"MARTINI bead: SP2_SP2";;;;;;;-1.34;;-7.15;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM433819;MM433819;C=NNC(C)CNC1CC1;APYTXSDQEQUWSF-UHFFFAOYSA-N;141.22;0.33;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_SP1";;;;;;;0.04;;-4.21;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM433820;MM433820;C#CC1(C=O)CC1CCC;ZQOMWZCPGDKESK-UHFFFAOYSA-N;136.19;1.62;;;;;DOPC;MDCG;27;0;"MARTINI bead: C3_SNa";;;;;;;2.57;;0.45;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM433821;MM433821;CC#CC#CC(C=O)OC;NEKGSEAQSNOJNE-UHFFFAOYSA-N;136.15;0.23;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_C4";;;;;;;1.37;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM433822;MM433822;Cc1nnnc(=NO)n1C;VHFDZOFXDPZNFS-UHFFFAOYSA-N;141.13;-1.19;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP2_SP3";;;;;;;-2.2;;-5.19;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM433823;MM433823;CCCC1OC1C(O)CF;IBEVMRGVAWVDEW-UHFFFAOYSA-N;148.18;0.88;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNa_P2";;;;;;;-0.24;;-3.24;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM433824;MM433824;C=CCC(C)COC1CC1;JZRIZNKPXHIXIH-UHFFFAOYSA-N;140.23;2.38;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1_SP1";;;;;;;2.08;;0.48;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM433825;MM433825;C#CC1(C#N)CC1CCC;PKKUVKDDXPLOQZ-UHFFFAOYSA-N;133.19;1.95;;;;;DOPC;MDCG;27;0;"MARTINI bead: C3_SN0";;;;;;;2.87;;0.37;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM433826;MM433826;C=CC=NOC=NN;DTKXPFDUFJLZJC-UHFFFAOYSA-N;113.12;0.08;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_N0";;;;;;;0.34;;-1.53;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM433827;MM433827;CC#CC#CC(C#N)OC;JOESSUWTURTRHG-UHFFFAOYSA-N;133.15;0.55;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_C4";;;;;;;1.37;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM433828;MM433828;C=CC(C=NOCC)=NN;RECCYPBMPCCSMS-UHFFFAOYSA-N;141.17;0.51;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_C5";;;;;;;0.81;;-0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM433829;MM433829;CCC(F)C1OC1CCN;UJQWYGVVLPUKDJ-UHFFFAOYSA-N;147.19;0.85;;;;;DOPC;MDCG;27;1;"MARTINI bead: C4_SP1";;;;;;;1.37;;-2.65;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM433830;MM433830;CCC(=O)CN=C(N)C=O;VONRABHQLOSVME-UHFFFAOYSA-N;142.16;-0.48;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_P2";;;;;;;-0.24;;-3.24;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM433831;MM433831;C=CCC(N)COC1CC1;RGLLZSBYQKRPHQ-UHFFFAOYSA-N;141.21;1.07;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_SP1";;;;;;;0.04;;-4.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM433832;MM433832;C#CC(C#CC#CC)CC;SFAJUWCHYAHHBR-UHFFFAOYSA-N;130.19;1.67;;;;;DOPC;MDCG;27;0;"MARTINI bead: C3_C4";;;;;;;3.9;;0.47;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM433833;MM433833;C#CCC1COC(=NO)N1;DKTXNLPQGUMCGL-UHFFFAOYSA-N;140.14;-0.26;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP2_SP1";;;;;;;-1.06;;-3.82;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM433834;MM433834;CNCC1OC1C(N)CN;VLHJODSYKAFWMO-UHFFFAOYSA-N;145.21;-1.74;;;;;DOPC;MDCG;27;1;"MARTINI bead: SP2_P4";;;;;;;-2.29;;-8.27;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM433835;MM433835;C=CC(C=NOC=O)=NN;XMZRBIFHPAIXGY-UHFFFAOYSA-N;141.13;-0.35;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_P2";;;;;;;0.54;;-1.09;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM433836;MM433836;C#CC1(C#N)CC1CCO;OXPSWURQOJZASL-UHFFFAOYSA-N;135.17;0.53;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_SN0";;;;;;;0.34;;-1.53;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM433837;MM433837;N#CCC(F)COC1CC1;CAVYAENWOBSPJG-UHFFFAOYSA-N;143.16;1.42;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_SP1";;;;;;;0.04;;-2.54;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM433838;MM433838;C#CCC1CCC(=CC)O1;LFXMJXBHGFJCGO-UHFFFAOYSA-N;136.19;2.09;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC5_SC5";;;;;;;2.41;;0.64;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM433839;MM433839;C#CC(C#CC#CC)CN;KDZACRCOYYPFIA-UHFFFAOYSA-N;131.18;0.22;;;;;DOPC;MDCG;27;1;"MARTINI bead: C4_Nd";;;;;;;2.2;;-1.41;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM433840;MM433840;N=C(NO)OC(=O)C(=O)O;RYOHCKGXTMIMJD-UHFFFAOYSA-N;148.07;-1.47;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_P1";;;;;;;-1.06;;-8.95;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM433841;MM433841;CNCC1OC1C(N)CO;JZZFPUJQFYICPN-UHFFFAOYSA-N;146.19;-1.71;;;;;DOPC;MDCG;27;1;"MARTINI bead: SP2_P3";;;;;;;-2.2;;-7.48;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM433842;MM433842;C#CC1(C=O)CC1CCF;SCCIBRDQIHJYOZ-UHFFFAOYSA-N;140.16;1.18;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_SNa";;;;;;;1.64;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM433843;MM433843;CC#CC1NC1C=O;OBEPWHVTPAZQPU-UHFFFAOYSA-N;109.13;-0.45;;;;;DOPC;MDCG;27;0;"MARTINI bead: N0_SP2";;;;;;;0.06;;-2.21;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM433844;MM433844;C=CCN(C)CCC1CC1;QNMYRFKLPBDFPM-UHFFFAOYSA-N;139.24;1.9;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_SC5";;;;;;;1.64;;-1.88;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM433845;MM433845;C#CC(C#CC#CC)CO;MNNALLWZOBKZTA-UHFFFAOYSA-N;132.16;0.25;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4_Nda";;;;;;;2.2;;0.49;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM433846;MM433846;O=c1nnnnc(=O)[nH]1;RYNZFXAAHFYGKE-UHFFFAOYSA-N;127.06;-2.68;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP3_SP3";;;;;;;-3.07;;-10.27;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM433847;MM433847;CCCC1OC1C(C)NC;CNNXGOUCLOPAAA-UHFFFAOYSA-N;143.23;1.16;;;;;DOPC;MDCG;27;1;"MARTINI bead: SNa_Nd";;;;;;;0.87;;-4.19;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM433848;MM433848;C#CCC1CNC(=NO)O1;SOAYRXMLNLHQON-UHFFFAOYSA-N;140.14;-0.26;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP2_SP1";;;;;;;-1.06;;-3.82;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM433849;MM433849;C#CC1(C#N)CC1CCF;MVFCFPXWDBWQPT-UHFFFAOYSA-N;137.16;1.51;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_SN0";;;;;;;1.94;;0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM433850;MM433850;CN(CC#N)CCC1CC1;MVWSDQYOFBWQNW-UHFFFAOYSA-N;138.21;1.24;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_SC5";;;;;;;0.81;;-0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM433851;MM433851;C#CC(C#CC#CC)CF;ITFCUOVLWJWAIC-UHFFFAOYSA-N;134.15;1.23;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4_Na";;;;;;;2.2;;0.34;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM433852;MM433852;O=c1nc2nn[nH]oc-2n1;TWFKLUBODYFOTR-UHFFFAOYSA-N;139.07;-1.35;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP3_SP1";;;;;;;-1.93;;-9.07;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM433853;MM433853;CCCC1OC1C(C)OC;BQLRKORPVCKCSK-UHFFFAOYSA-N;144.21;1.59;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNa_Na";;;;;;;0.87;;-2.22;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM433854;MM433854;C=CC(=C)CC(C)(C)O;VZEMOIAGHLZNII-UHFFFAOYSA-N;126.2;1.89;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda_C3";;;;;;;2.57;;0.44;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM433855;MM433855;C#CC1(C=C)CC1CNC;OAYDLYYQVDBRIX-UHFFFAOYSA-N;135.21;1.03;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1_SC5";;;;;;;0.81;;-3.62;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM433856;MM433856;C=CCC(C)NCC1CN1;UYMWQVAFWCDKNQ-UHFFFAOYSA-N;140.23;0.51;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_SP1";;;;;;;0.04;;-4.96;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM433857;MM433857;C#CC(C#CC#CC)OC;BGNGHFUJZKVZOX-UHFFFAOYSA-N;132.16;0.66;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_C4";;;;;;;2.2;;0.34;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM433858;MM433858;CC=NN=CC(CC)=NN;CPWQFERVRIPRSN-UHFFFAOYSA-N;140.19;0.79;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_P1";;;;;;;0.81;;-0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM433859;MM433859;C#CC1(C=O)CC1CNC;NXJTZTWJVIAURL-UHFFFAOYSA-N;137.18;0.04;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1_SNa";;;;;;;0.04;;-5.37;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM433860;MM433860;CC(CC#N)CCC1CO1;XDOAOHVZNJBPIP-UHFFFAOYSA-N;139.2;1.72;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_SNa";;;;;;;1.64;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM433861;MM433861;C#CCC1OCC(=CC)O1;ZESOHYAJEKELAC-UHFFFAOYSA-N;138.17;1.29;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNa_SNa";;;;;;;0.87;;-2.22;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM433862;MM433862;CC(CO)C1CN1CCN;RKHNEXRTSJCPBT-UHFFFAOYSA-N;144.22;-0.74;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nda_SP2";;;;;;;-0.24;;-5.27;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM433863;MM433863;C=CC(C#CC#CC)C=C;WAPFTMUPVSSMIZ-UHFFFAOYSA-N;130.19;2;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4_C2";;;;;;;4.16;;0.44;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM433864;MM433864;Cc1nnnc(=NO)n1N;AQQKSDWITGUQBF-UHFFFAOYSA-N;142.12;-2.01;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP2_SP3";;;;;;;-2.2;;-5.19;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM433865;MM433865;CCC(O)C1CN1CCN;VQOHRHGMGMAAKR-UHFFFAOYSA-N;144.22;-0.6;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nda_SP2";;;;;;;-0.24;;-5.27;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM433866;MM433866;C=CCC(N)CCC1CO1;HQQOUMOESWNEHT-UHFFFAOYSA-N;141.21;1.07;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_SNa";;;;;;;0.87;;-4.88;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM433867;MM433867;C#CC1(C#N)CC1CNC;WCPJQCRSUDXYSW-UHFFFAOYSA-N;134.18;0.37;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1_SN0";;;;;;;0.34;;-3.65;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM433868;MM433868;C#CCC(C)(F)C=NN;IUYJYXIUZVAGQY-UHFFFAOYSA-N;128.15;0.68;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda_N0";;;;;;;1.17;;-1.13;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM433869;MM433869;C=CC(C#CC#CC)C=O;NZFAZEYHEJMUEO-UHFFFAOYSA-N;132.16;1.01;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4_Na";;;;;;;2.2;;0.34;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM433870;MM433870;C=CC(C=NN=CC)=NN;GAWONUPEPGMAER-UHFFFAOYSA-N;138.17;0.56;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_C5";;;;;;;0.81;;-0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM433871;MM433871;NCCN1CC1C(O)CO;BHCKGXBNLHAVJT-UHFFFAOYSA-N;146.19;-2.02;;;;;DOPC;MDCG;27;1;"MARTINI bead: SP2_P3";;;;;;;-2.2;;-7.14;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM433872;MM433872;C#CC1(C=C)CC1COC;OIZPVZCJDNBQCZ-UHFFFAOYSA-N;136.19;1.46;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_SC5";;;;;;;0.81;;-0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM433873;MM433873;C=COC(C)CCC1CO1;RWKZQUWEMGKZGO-UHFFFAOYSA-N;142.2;1.71;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4_SNa";;;;;;;2.2;;0.34;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM433874;MM433874;CC(C)C(C)C1(O)CC1;CKHNYGFJVNBTHH-UHFFFAOYSA-N;128.22;1.8;;;;;DOPC;MDCG;27;0;"MARTINI bead: C3_SNda";;;;;;;2.57;;0.44;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM433875;MM433875;C=CC(C#N)C#CC#CC;DFCZBVFHZFTRHG-UHFFFAOYSA-N;129.16;1.34;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4_N0";;;;;;;2.5;;0.44;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM433876;MM433876;CCN=CN=C(NC)OC;ZHKDPXGJMQQOJO-UHFFFAOYSA-N;143.19;0.26;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_P1";;;;;;;0.81;;-0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM433877;MM433877;C#CC1(C=O)CC1COC;YYYRHNWQDGXJFR-UHFFFAOYSA-N;138.17;0.47;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_SNa";;;;;;;0.04;;-2.54;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM433878;MM433878;CCCN1CC1C(F)CN;JUFAWKYDWOYJGJ-UHFFFAOYSA-N;146.21;0.38;;;;;DOPC;MDCG;27;1;"MARTINI bead: SNd_P2";;;;;;;-0.24;;-4.31;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM433879;MM433879;C=CCC(C)NCC1CO1;ICPKPPBHOPCCHX-UHFFFAOYSA-N;141.21;0.94;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_SNa";;;;;;;0.87;;-4.32;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM433880;MM433880;C#CCN1CCC(=NC)N1;LHEQEWMJVCMCNG-UHFFFAOYSA-N;137.19;-0.14;;;;;DOPC;MDCG;27;1;"MARTINI bead: SP2_SP1";;;;;;;-1.06;;-6.25;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM433881;MM433881;CC#CC#CC(C#N)C=O;OFXRGKQCVXFCIE-UHFFFAOYSA-N;131.13;0.35;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4_Na";;;;;;;2.2;;0.34;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM433882;MM433882;CN(CC(=O)O)C(=O)C#N;MBJGYAVWNHRTNY-UHFFFAOYSA-N;142.11;-0.95;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_P1";;;;;;;-0.79;;-8.65;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM433883;MM433883;C#CC1(C#N)CC1COC;RBINZPKWSCLFDL-UHFFFAOYSA-N;135.17;0.8;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_SN0";;;;;;;0.34;;-1.53;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM433884;MM433884;C=CCN(C)CCC1CO1;PXKYBQSAYICPIX-UHFFFAOYSA-N;141.21;0.89;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_SNa";;;;;;;0.87;;-3.57;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM433885;MM433885;CC1=CC2CC(O)(C1)C2C;WXSDMOHUCMEENQ-UHFFFAOYSA-N;138.21;1.72;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNda_SC2";;;;;;;2.83;;0.57;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM433886;MM433886;CC=CC1CCC(=CC)C1;FVJZCRLCEMRXFU-UHFFFAOYSA-N;136.24;3.31;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC1_SC1";;;;;;;4.95;;0.69;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM433887;MM433887;CC#CC#CC(C#N)C#N;MUCSEDWKPFRIJC-UHFFFAOYSA-N;128.13;0.68;;;;;DOPC;MDCG;27;-1;"MARTINI bead: C4_P2";;;;;;;1.09;;-2.74;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM433888;MM433888;O=c1oc(=NO)[nH]nc1O;DIRPBDBIOMCHMT-UHFFFAOYSA-N;145.07;-1.64;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP3_SP4";;;;;;;-3.15;;-10.28;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM433889;MM433889;C#CC1(C=C)CC1NCC;OQOPJULHHDTTEK-UHFFFAOYSA-N;135.21;1.17;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_SC5";;;;;;;1.64;;-2.22;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM433890;MM433890;CNC(C)C1CN1CCN;FHFNUATWWHWEKX-UHFFFAOYSA-N;143.23;-0.76;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_SP2";;;;;;;-0.24;;-5.84;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM433891;MM433891;COC(=NN)C(C)CF;UVAJUHOZGNEBTB-UHFFFAOYSA-N;134.15;0.51;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda_Na";;;;;;;0.87;;-1.99;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM433892;MM433892;CC=CC1CCC(=CF)C1;GQNVCDIUTWKVNV-UHFFFAOYSA-N;140.2;3.22;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC1_SC4";;;;;;;4.24;;0.42;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM433893;MM433893;C#CC(C#CC#CC)C=C;USYYZKASEAHIBI-UHFFFAOYSA-N;128.17;1.45;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4_C5";;;;;;;2.97;;0.45;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM433894;MM433894;CCCC1CN1C(C)CN;HEWLXRICUJAVOK-UHFFFAOYSA-N;142.25;0.82;;;;;DOPC;MDCG;27;1;"MARTINI bead: SNd_Nd";;;;;;;0.87;;-4.11;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM433895;MM433895;C#CC1(C=O)CC1NCC;BTEOKGDPZPRPMM-UHFFFAOYSA-N;137.18;0.19;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_SNa";;;;;;;0.87;;-3.56;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM433896;MM433896;O=Cc1nc(=O)onc1O;QOIODNJPELJVBK-UHFFFAOYSA-N;142.07;-1.05;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP3_SP3";;;;;;;-3.07;;-10.27;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM433897;MM433897;C=CC(C)C(=NN)OC;LTLIQJJFBKKLTQ-UHFFFAOYSA-N;128.18;0.73;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_C3";;;;;;;1.74;;0.29;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM433898;MM433898;CC=CC1CCC(=NN)C1;VJIUAKIAIIEMCB-UHFFFAOYSA-N;138.21;1.68;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC1_SNd";;;;;;;2.91;;0.63;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM433899;MM433899;C#CC(C#CC#CC)C=O;UQAJNMHCRVXOSG-UHFFFAOYSA-N;130.15;0.46;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4_Na";;;;;;;2.2;;0.34;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM433900;MM433900;CCCC1CN1C(C)CF;LLIRQZBZSCFNJC-UHFFFAOYSA-N;145.22;1.83;;;;;DOPC;MDCG;27;0;"MARTINI bead: SN0_P1";;;;;;;0.34;;-1.53;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM433901;MM433901;C#CC1(C=C)CC1OCC;WDBWKPKHGKYCQN-UHFFFAOYSA-N;136.19;1.6;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_SC5";;;;;;;1.64;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM433902;MM433902;CC=CC1C=CC(=NN)C1;RQHCZYWNDIRVST-UHFFFAOYSA-N;136.2;1.45;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC2_SNd";;;;;;;2.83;;0.62;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM433903;MM433903;C#CCC(N)CCC1CC1;AUIZMHMCUPUUGU-UHFFFAOYSA-N;137.23;1.53;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_SC5";;;;;;;1.64;;-2.61;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM433904;MM433904;CC=CC1CCC(=NO)C1;HKAJWXUUXWRUEJ-UHFFFAOYSA-N;139.2;2.19;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC1_SNda";;;;;;;2.91;;0.57;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM433905;MM433905;C#CC(C#C)C#CC#CC;GUVOOPFJLIAMTO-UHFFFAOYSA-N;126.16;0.9;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4_N0";;;;;;;2.5;;0.44;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM433906;MM433906;CNCC1CN1C(C)CN;IPLWWJDXAATGMQ-UHFFFAOYSA-N;143.23;-0.76;;;;;DOPC;MDCG;27;1;"MARTINI bead: SP2_P3";;;;;;;-2.2;;-7.76;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM433907;MM433907;CC=CC1=CC(=NN)CC1;ZQECJESPIMFZCS-UHFFFAOYSA-N;136.2;1.6;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC2_SNd";;;;;;;2.83;;0.62;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM433908;MM433908;C#CC1(C=O)CC1OCC;LRSUTLMRYNBQTQ-UHFFFAOYSA-N;138.17;0.61;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_SNa";;;;;;;0.87;;-2.22;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM433909;MM433909;C#CCC(F)CCC1CC1;XIBCFDMFPGFJHY-UHFFFAOYSA-N;140.2;2.54;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4_SC5";;;;;;;2.97;;0.45;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM433910;MM433910;CC=CC1CN=C(NN)C1;WEAXCUJJMDACCY-UHFFFAOYSA-N;139.2;0.44;;;;;DOPC;MDCG;27;1;"MARTINI bead: SC4_SNd";;;;;;;2.2;;-1.88;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM433911;MM433911;CC=C(C#CCCC)CC;NCVJOVNZNIXUGA-UHFFFAOYSA-N;136.24;3.15;;;;;DOPC;MDCG;27;0;"MARTINI bead: C3_C1";;;;;;;4.61;;0.31;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM433912;MM433912;CNCC1CN1C(C)CF;PQRHSSPFEUDPEY-UHFFFAOYSA-N;146.21;0.25;;;;;DOPC;MDCG;27;1;"MARTINI bead: SP2_P1";;;;;;;-1.06;;-6.32;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM433913;MM433913;Cc1nnnc(=NO)n1O;RIQUYSQSKJIIRE-UHFFFAOYSA-N;143.11;-1.49;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP2_SP3";;;;;;;-2.2;;-5.19;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM433914;MM433914;C#CCC(C)NCC1CC1;PHPOPCSGAFAPFV-UHFFFAOYSA-N;137.23;1.4;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_SC5";;;;;;;1.64;;-2.83;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM433915;MM433915;C#CC1(C#N)CC1OCC;ODIZIIBGCCTZPQ-UHFFFAOYSA-N;135.17;0.94;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_SN0";;;;;;;1.17;;-1.18;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM433916;MM433916;CC=CC1CN=C(NO)C1;CTDBAFQGYCFEMA-UHFFFAOYSA-N;140.19;0.96;;;;;DOPC;MDCG;27;1;"MARTINI bead: SC4_SNda";;;;;;;2.2;;-0.5;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM433917;MM433917;CC=C(C#CCCN)CC;DBAPHPCPLCRIMY-UHFFFAOYSA-N;137.23;1.69;;;;;DOPC;MDCG;27;1;"MARTINI bead: C1_Nd";;;;;;;2.91;;-0.21;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM433918;MM433918;C=CCC1CC1C(C)CC;KZCCBTBLQVHART-UHFFFAOYSA-N;138.25;3.24;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1_SC4";;;;;;;4.24;;0.42;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM433919;MM433919;CN=c1nnoc(N)c1F;VXJXRWPCKCHTLW-UHFFFAOYSA-N;144.11;-0.68;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNa_SP2";;;;;;;-0.24;;-3.24;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM433920;MM433920;C#CCC(C)CNC1CC1;CLQVOQJAANCCMM-UHFFFAOYSA-N;137.23;1.4;;;;;DOPC;MDCG;27;1;"MARTINI bead: C3_SP1";;;;;;;1.74;;-2.3;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM433921;MM433921;CC=CC1COC(=CC)C1;YRFPWPPZXVEGOD-UHFFFAOYSA-N;138.21;2.5;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC5_SC5";;;;;;;2.41;;0.64;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM433922;MM433922;C#CC1(C=C)NC1CCC;CVMURLHTNSFUNN-UHFFFAOYSA-N;135.21;1.32;;;;;DOPC;MDCG;27;0;"MARTINI bead: C3_SP1";;;;;;;1.74;;0.29;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM433923;MM433923;CC=C(C#CCCO)CC;OHWQCHDQOIXHPR-UHFFFAOYSA-N;138.21;1.73;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1_Nda";;;;;;;2.91;;0.57;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM433924;MM433924;CCC(C)C1CC1CC#N;XPWAMXHFVGEZOX-UHFFFAOYSA-N;137.23;2.58;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1_SC5";;;;;;;3.68;;0.46;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM433925;MM433925;C=CC(C=O)N1CC1CC;VGUMTFNVUOOVEH-UHFFFAOYSA-N;139.2;0.83;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP1_P2";;;;;;;-1.06;;-3.82;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM433926;MM433926;C#CCC(O)CNC1CC1;YJLVCECFBRUNJV-UHFFFAOYSA-N;139.2;0.12;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nda_SP1";;;;;;;0.04;;-4.96;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM433927;MM433927;CC=CC1COC(=CF)C1;XYUPZQOMQFWAER-UHFFFAOYSA-N;142.17;2.41;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC5_SNa";;;;;;;1.64;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM433928;MM433928;CC=C(C#CCCF)CC;HAYVJZJFNHCKOX-UHFFFAOYSA-N;140.2;2.71;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1_Na";;;;;;;2.91;;0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM433929;MM433929;C#CC1(C=C)NC1CCN;DJDBSWPCFLCDNR-UHFFFAOYSA-N;136.2;-0.14;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1_SP1";;;;;;;-0.79;;-5.59;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM433930;MM433930;CC(=O)C#CCNCC#N;OMGYYHAOUGSMCD-UHFFFAOYSA-N;136.15;-0.31;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_P2";;;;;;;-0.24;;-3.24;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM433931;MM433931;C#CCC(F)CNC1CC1;PHSWWPNOOPTFOW-UHFFFAOYSA-N;141.19;1.1;;;;;DOPC;MDCG;27;1;"MARTINI bead: C4_SP1";;;;;;;1.37;;-1.25;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM433932;MM433932;NN=c1c(=O)nn[nH]n1O;COAYBVSPUUPLKL-UHFFFAOYSA-N;144.09;-3.02;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP3_SP2";;;;;;;-2.2;;-9.62;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM433933;MM433933;CC=CC1COC(=NO)C1;CVADQWOFMPJBDT-UHFFFAOYSA-N;141.17;1.39;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC5_SP1";;;;;;;0.81;;-0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM433934;MM433934;CCCC#CC(=CF)CC;NSPXJQMYZMUNOZ-UHFFFAOYSA-N;140.2;3.05;;;;;DOPC;MDCG;27;0;"MARTINI bead: C3_C3";;;;;;;4.27;;0.2;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM433935;MM433935;N#CC(=CN)CC=C(F)F;NVLLZAIPTGVHKE-UHFFFAOYSA-N;144.12;1.52;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_C4";;;;;;;1.37;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM433936;MM433936;C=CCC1CC1C(C)CF;OZRZSFWPENIYIG-UHFFFAOYSA-N;142.22;2.8;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4_SC4";;;;;;;3.53;;0.53;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM433937;MM433937;N#Cc1nnn(O)c1O;IRVHUXLKEZHDKX-UHFFFAOYSA-N;126.08;-0.91;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP1_SP2";;;;;;;-1.06;;-8.95;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM433938;MM433938;CC=CC1CC(=CC)CN1;XAIZBILZRBTLLY-UHFFFAOYSA-N;137.23;1.87;;;;;DOPC;MDCG;27;1;"MARTINI bead: SC5_SN0";;;;;;;1.94;;-1.2;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM433939;MM433939;C#CCC(N)COC1CC1;LPZIPOIZRXZISP-UHFFFAOYSA-N;139.2;0.52;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_SP1";;;;;;;0.04;;-4.62;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM433940;MM433940;C#CC1(C=C)NC1CCF;QBTTWGYUEXYUPK-UHFFFAOYSA-N;139.17;0.88;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_SP1";;;;;;;0.81;;-0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM433941;MM433941;CCC(C#CCCF)=CF;HTMFNNIFZCUGJR-UHFFFAOYSA-N;144.16;2.61;;;;;DOPC;MDCG;27;0;"MARTINI bead: C3_Na";;;;;;;2.57;;0.45;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM433942;MM433942;C=CCC1CC1C(N)CN;DSONBXQFKALPGP-UHFFFAOYSA-N;140.23;0.48;;;;;DOPC;MDCG;27;1;"MARTINI bead: P4_SC4";;;;;;;0.15;;-4.5;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM433943;MM433943;C#CCc1noc(=NO)[nH]1;LKHCHQHHUMKPFV-UHFFFAOYSA-N;139.11;-0.53;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP3_SNda";;;;;;;-1.1;;-8.47;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM433944;MM433944;C#CC1(C=O)NC1CCC;SUIPBKZPXKYBQE-UHFFFAOYSA-N;137.18;0.33;;;;;DOPC;MDCG;27;0;"MARTINI bead: C3_SP2";;;;;;;1.46;;-0.15;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM433945;MM433945;CC=CC1CC(=CF)CN1;GACOWOZIJFHGAV-UHFFFAOYSA-N;141.19;1.78;;;;;DOPC;MDCG;27;1;"MARTINI bead: SC5_SP1";;;;;;;0.81;;-2.47;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM433946;MM433946;C#CCC(O)COC1CC1;MTFOGPVZFSXMTH-UHFFFAOYSA-N;140.18;0.55;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda_SP1";;;;;;;0.04;;-2.73;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM433947;MM433947;CC=C(C#CCCC)CN;XIYNDQRAHHNOPY-UHFFFAOYSA-N;137.23;1.69;;;;;DOPC;MDCG;27;1;"MARTINI bead: C3_Nd";;;;;;;2.57;;-0.51;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM433948;MM433948;C=NNC=NC(=C)CCC;CLMVNGKLPQZKHN-UHFFFAOYSA-N;139.2;1.53;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1_P2";;;;;;;1.8;;0.41;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM433949;MM433949;C#CC1(C#N)NC1CCC;QDZFNHAIDHUGIM-UHFFFAOYSA-N;134.18;0.65;;;;;DOPC;MDCG;27;0;"MARTINI bead: C3_SP2";;;;;;;1.46;;-0.15;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM433950;MM433950;C=c1c(C)cccc1=CC;ZVYCXGNEMFFUFY-UHFFFAOYSA-N;132.21;1.21;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC1_SC4";;;;;;;4.24;;0.42;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM433951;MM433951;C=C(F)CC(CF)=NN;OXQVRDVHTBLYGK-UHFFFAOYSA-N;134.13;1.14;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_C5";;;;;;;0.81;;-0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM433952;MM433952;CC=C(C#CCCO)CN;ZRELHVQROBUXQA-UHFFFAOYSA-N;139.2;0.28;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_Nda";;;;;;;0.87;;-3.69;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM433953;MM433953;C#CCN(C)CCC1CC1;LANRRBUPLKGRQP-UHFFFAOYSA-N;137.23;1.35;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_SC5";;;;;;;1.64;;-1.39;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM433954;MM433954;C#CC=NNC(=N)CC#C;OUXOLPIVAYCXCO-UHFFFAOYSA-N;133.15;0.2;;;;;DOPC;MDCG;27;0;"MARTINI bead: N0_Nd";;;;;;;1.17;;-1.04;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM433955;MM433955;CCC1(C(C)C(C)O)CC1;BFKYXZVPHBGVGE-UHFFFAOYSA-N;142.24;2.19;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC3_Nda";;;;;;;2.57;;0.44;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM433956;MM433956;CC=CC1CCC(=NN)N1;IICGSCXJMFSBJN-UHFFFAOYSA-N;139.2;0.59;;;;;DOPC;MDCG;27;1;"MARTINI bead: SC5_SNd";;;;;;;1.64;;-1.26;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM433957;MM433957;CC=C(C#CCCF)CN;NNYNTOKHTQYMMC-UHFFFAOYSA-N;141.19;1.25;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_Na";;;;;;;0.87;;-3.65;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM433958;MM433958;C=c1c(C)cccc1=CF;VTMYVTBEPXFFKR-UHFFFAOYSA-N;136.17;1.11;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC4_SC4";;;;;;;3.53;;0.53;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM433959;MM433959;C#CCC(C)NCC1CN1;XWHPASLZAMDDPT-UHFFFAOYSA-N;138.21;-0.04;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_SP1";;;;;;;0.04;;-4.54;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM433960;MM433960;C=CCC1CC1C(O)CN;CUXFNWXIQCYXOZ-UHFFFAOYSA-N;141.21;0.52;;;;;DOPC;MDCG;27;1;"MARTINI bead: P3_SC4";;;;;;;0.23;;-3.18;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM433961;MM433961;C#CC1(C#N)NC1CCF;UAGIXMXNATUIGZ-UHFFFAOYSA-N;138.15;0.21;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_SP2";;;;;;;0.54;;-1.09;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM433962;MM433962;CC=CC1CNC(=NC)N1;PSLJNLJYZWNPPL-UHFFFAOYSA-N;139.2;0.11;;;;;DOPC;MDCG;27;1;"MARTINI bead: SP1_SP1";;;;;;;-0.79;;-7.33;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM433963;MM433963;CCCC#CC(=CF)CN;DIULZZROXPKMPQ-UHFFFAOYSA-N;141.19;1.6;;;;;DOPC;MDCG;27;1;"MARTINI bead: C3_P1";;;;;;;1.74;;-0.99;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM433964;MM433964;C=c1c(F)cccc1=CC;BXYCVAFGTWPKLR-UHFFFAOYSA-N;136.17;1.04;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC5_SC1";;;;;;;3.68;;0.46;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM433965;MM433965;C#CCC(C)CCC1CO1;LKUWGBMCYIFYGJ-UHFFFAOYSA-N;138.21;1.82;;;;;DOPC;MDCG;27;0;"MARTINI bead: C3_SNa";;;;;;;2.57;;0.45;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM433966;MM433966;C=CCC1CC1C(O)CO;FRDQVTVIFVRMAU-UHFFFAOYSA-N;142.2;0.55;;;;;DOPC;MDCG;27;0;"MARTINI bead: P3_SC4";;;;;;;0.23;;-1.03;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM433967;MM433967;C#CC1(C=C)NC1CNC;QCRWAVDQPCTKOI-UHFFFAOYSA-N;136.2;-0.26;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1_SP1";;;;;;;-0.79;;-5.22;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM433968;MM433968;CC=CC1CNC(=NN)N1;WJXYYCSQHQZMHG-UHFFFAOYSA-N;140.19;-0.65;;;;;DOPC;MDCG;27;1;"MARTINI bead: SP1_SP2";;;;;;;-1.06;;-6.54;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM433969;MM433969;NCC(C#CCCO)=CF;AJMBFXLXVUWYBD-UHFFFAOYSA-N;143.16;0.18;;;;;DOPC;MDCG;27;1;"MARTINI bead: P2_Nda";;;;;;;-0.24;;-4.95;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM433970;MM433970;C#CCC(N)CCC1CO1;IFGZFFQTHXCGNA-UHFFFAOYSA-N;139.2;0.52;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_SNa";;;;;;;0.87;;-4.59;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM433971;MM433971;C=c1c(F)cccc1=CF;LUPRDRFLNDNPGK-UHFFFAOYSA-N;140.13;0.94;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC4_SC5";;;;;;;2.97;;0.45;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM433972;MM433972;N#CCC1CC1C(O)CO;LDGAHSDIOFIKSI-UHFFFAOYSA-N;141.17;-0.11;;;;;DOPC;MDCG;27;0;"MARTINI bead: P3_SC5";;;;;;;-0.33;;-2.01;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM433973;MM433973;C#CC1(C#N)NC1CNC;IEADXHFOLKXQKZ-UHFFFAOYSA-N;135.17;-0.93;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1_SP2";;;;;;;-1.06;;-4.86;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM433974;MM433974;CC(C)C=NOC=NN;VMSVDSXJMMDQJW-UHFFFAOYSA-N;129.16;0.55;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_P1";;;;;;;0.81;;-0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM433975;MM433975;O=CC1=NC(=CO)N=N1;IWNMFAJADZUUFZ-UHFFFAOYSA-N;125.09;0.41;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNda_SP1";;;;;;;0.04;;-8.16;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM433976;MM433976;C#CCC(O)CCC1CO1;VWWZAIPBBVZHBP-UHFFFAOYSA-N;140.18;0.55;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda_SNa";;;;;;;0.87;;-1.99;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM433977;MM433977;CC=C(C#CCCC)CO;GMHQABKKVZGBRF-UHFFFAOYSA-N;138.21;1.73;;;;;DOPC;MDCG;27;0;"MARTINI bead: C3_Nda";;;;;;;2.57;;0.44;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM433978;MM433978;CCC(F)C1CC1CC#N;LKUIDWOREBVEMO-UHFFFAOYSA-N;141.19;2.28;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4_SC5";;;;;;;2.97;;0.45;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM433979;MM433979;C#CC1(C=C)NC1COC;IFSCTOWZBMCSQR-UHFFFAOYSA-N;137.18;0.16;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_SP1";;;;;;;-0.79;;-3.13;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM433980;MM433980;CC=CC1CNC(=NO)O1;PJTSLZHRFSOYPL-UHFFFAOYSA-N;142.16;0.3;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP1_SP2";;;;;;;-1.06;;-3.82;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM433981;MM433981;N#CCOCC(=O)O;MBYBMQAKTSFTJP-UHFFFAOYSA-N;115.09;-0.39;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_P1";;;;;;;-0.79;;-8.67;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM433982;MM433982;C#CCC(C)NCC1CO1;MCWURGJGBYUYFX-UHFFFAOYSA-N;139.2;0.39;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_SNa";;;;;;;0.87;;-3.89;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM433983;MM433983;CC=C(C#CCCN)CO;OIVWIUBYLPOPEF-UHFFFAOYSA-N;139.2;0.28;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nda_Nd";;;;;;;0.87;;-4.31;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM433984;MM433984;C=CCC1CC1C(F)CN;NRPLDMHTNXHWKD-UHFFFAOYSA-N;143.21;1.5;;;;;DOPC;MDCG;27;1;"MARTINI bead: P2_SC4";;;;;;;1.09;;-1.85;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM433985;MM433985;C#CC1(C=O)NC1COC;JXTBFVDUSGPYAL-UHFFFAOYSA-N;139.15;-0.82;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_SP2";;;;;;;-1.06;;-3.82;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM433986;MM433986;CC=C1CCN(C=NC)C1;QEILNGLGTOTJNR-UHFFFAOYSA-N;138.21;1.3;;;;;DOPC;MDCG;27;1;"MARTINI bead: SN0_SNd";;;;;;;1.17;;-3.99;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM433987;MM433987;C#CCC(C)OCC1CO1;XMVRDHHHNAFSQF-UHFFFAOYSA-N;140.18;0.81;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_SNa";;;;;;;0.87;;-2.22;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM433988;MM433988;NC(=O)C#CC#CC(=O)O;NYEDEGFBYYVPOK-UHFFFAOYSA-N;137.09;-1.44;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda_P1";;;;;;;0.04;;-8.16;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM433989;MM433989;CC=C(C#CCCO)CO;OEGJOBJMJCAFRQ-UHFFFAOYSA-N;140.18;0.31;;;;;DOPC;MDCG;27;0;"MARTINI bead: P3_C4";;;;;;;0.23;;-1.03;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM433990;MM433990;C=CCC1CC1C(F)CO;WLTUMNBYGXYMIT-UHFFFAOYSA-N;144.19;1.53;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_SC4";;;;;;;1.09;;-0.38;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM433991;MM433991;C#CC1(C#N)NC1COC;YWKJGQHGLHQSQZ-UHFFFAOYSA-N;136.15;-0.5;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_SP2";;;;;;;-1.06;;-3.82;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM433992;MM433992;CC=NN1CCC(=CC)C1;YAWSSOQXIZCMSN-UHFFFAOYSA-N;138.21;1.64;;;;;DOPC;MDCG;27;0;"MARTINI bead: SN0_SN0";;;;;;;1.47;;-0.05;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM433993;MM433993;C#CCN(C)CCC1CO1;HOKAZNNVYNAIKO-UHFFFAOYSA-N;139.2;0.34;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_SNa";;;;;;;0.87;;-3.07;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM433994;MM433994;Oc1[nH]nc(F)c1F;FDSFUFFNOMVOGB-UHFFFAOYSA-N;120.06;0.39;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNda_SNda";;;;;;;0.87;;-7.73;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM433995;MM433995;CC=C(C#CCCF)CO;QTCMPYMAZDEWTN-UHFFFAOYSA-N;142.17;1.29;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda_Na";;;;;;;0.87;;-1.99;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM433996;MM433996;N#CCC1CC1C(F)CO;WPBQRWCGWYFATO-UHFFFAOYSA-N;143.16;0.87;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_SC5";;;;;;;0.54;;-1.09;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM433997;MM433997;C#CC1(C=C)OC1CCC;WOZFSVMICYZQCT-UHFFFAOYSA-N;136.19;1.74;;;;;DOPC;MDCG;27;0;"MARTINI bead: C3_SNa";;;;;;;2.57;;0.45;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM433998;MM433998;CC=NN1CCC(=CF)C1;QUBWWCFMWLKJJF-UHFFFAOYSA-N;142.18;1.55;;;;;DOPC;MDCG;27;0;"MARTINI bead: SN0_SP1";;;;;;;0.34;;-1.53;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM433999;MM433999;C=C(CC)C(=NN)OC;QMQVOMGSZRDBHL-UHFFFAOYSA-N;128.18;0.87;;;;;DOPC;MDCG;27;0;"MARTINI bead: C3_P1";;;;;;;1.74;;0.29;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM434000;MM434000;OCC(C#CCCF)=CF;XYJIJZGCKANTNE-UHFFFAOYSA-N;146.14;1.2;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda_Na";;;;;;;0.87;;-1.99;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM434001;MM434001;Cc1c[nH]oc(=NN)c1=N;DRCBOUOABULWHO-UHFFFAOYSA-N;140.15;-0.83;;;;;DOPC;MDCG;27;1;"MARTINI bead: SNd_SP2";;;;;;;-0.24;;-4.25;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM434002;MM434002;C=CCC1CC1C(F)CF;ZVURTSSXVOCLIO-UHFFFAOYSA-N;146.18;2.51;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_SC4";;;;;;;2.2;;0.34;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM434003;MM434003;C#CC1(C=C)OC1CCO;DRXUSPUHSLHWEB-UHFFFAOYSA-N;138.17;0.33;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_SNa";;;;;;;0.04;;-2.54;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM434004;MM434004;CC=NN1CCC(=NN)C1;LUCMJDYOVOZGRC-UHFFFAOYSA-N;140.19;0.01;;;;;DOPC;MDCG;27;0;"MARTINI bead: SN0_SP2";;;;;;;0.06;;-2.21;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM434005;MM434005;C=C(CCC)CCC1CC1;LFJONRQGYLWFPX-UHFFFAOYSA-N;138.25;3.53;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1_SC5";;;;;;;3.68;;0.46;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM434006;MM434006;CC=C(C#CCCC)CF;KZWPHSPIINBLRK-UHFFFAOYSA-N;140.2;2.71;;;;;DOPC;MDCG;27;0;"MARTINI bead: C3_C4";;;;;;;3.9;;0.47;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM434007;MM434007;O=CCC1CC1C(F)CF;BHYNCCIIZZFBDT-UHFFFAOYSA-N;148.15;1.52;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_SNa";;;;;;;0.87;;-2.22;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM434008;MM434008;N=CN1CCC(=NN)C=N1;BIVNOYFVUWKEJN-UHFFFAOYSA-N;139.16;-0.4;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP2_SP1";;;;;;;-1.06;;-3.82;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM434009;MM434009;C#CC1(C=C)OC1CCF;DAFZYLNNFPQJRL-UHFFFAOYSA-N;140.16;1.3;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_SNa";;;;;;;1.64;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM434010;MM434010;C=C(CCN)CCC1CC1;GLTQRKKGDBCYCO-UHFFFAOYSA-N;139.24;2.08;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_SC5";;;;;;;1.64;;-2.66;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM434011;MM434011;CC=NN1CCC(=NO)C1;ARQQRUBYPRONDQ-UHFFFAOYSA-N;141.17;0.53;;;;;DOPC;MDCG;27;0;"MARTINI bead: SN0_SP3";;;;;;;-0.8;;-2.99;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM434012;MM434012;N#CCC1CC1C(F)CF;KWFAERVPMWRDLN-UHFFFAOYSA-N;145.15;1.84;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_SC5";;;;;;;1.64;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM434013;MM434013;CC=C(C#CCCN)CF;DIXNTGZZMXQCSY-UHFFFAOYSA-N;141.19;1.25;;;;;DOPC;MDCG;27;1;"MARTINI bead: C4_Nd";;;;;;;2.2;;-1.82;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM434014;MM434014;NN=C1C=NN(C=O)CC1;CITIVZPUTLEYSZ-UHFFFAOYSA-N;140.15;-0.85;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP2_SP1";;;;;;;-1.06;;-3.82;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM434015;MM434015;C#CC1(C=O)OC1CCC;OSVQAJLYPQBXQF-UHFFFAOYSA-N;138.17;0.76;;;;;DOPC;MDCG;27;0;"MARTINI bead: C3_SP1";;;;;;;1.74;;0.29;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM434016;MM434016;CCCC(=O)CCC1CC1;FTGCYZBZSVPACT-UHFFFAOYSA-N;140.23;2.55;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_SC5";;;;;;;1.64;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM434017;MM434017;C=CCC1CC1C(C)NC;DCDZVFMSMOTYLS-UHFFFAOYSA-N;139.24;1.81;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_SC4";;;;;;;2.2;;-2.65;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM434018;MM434018;CC#CC1CCC(=CC)C1;QLIBPZWHDJTRRT-UHFFFAOYSA-N;134.22;2.76;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC1_SC2";;;;;;;4.87;;0.53;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM434019;MM434019;Cc1c(O)nnoc1=NN;DWVXZROIQXDUIC-UHFFFAOYSA-N;142.12;-1.14;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP2_SP2";;;;;;;-1.34;;-4.31;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM434020;MM434020;CC=C(C#CCCO)CF;VHSYXDMOHXRBNV-UHFFFAOYSA-N;142.17;1.29;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4_Nda";;;;;;;2.2;;0.49;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM434021;MM434021;C#CC1(C#N)OC1CCC;PDLDKRZZMKGGKB-UHFFFAOYSA-N;135.17;1.08;;;;;DOPC;MDCG;27;0;"MARTINI bead: C3_SP1";;;;;;;1.74;;0.29;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM434022;MM434022;C=C(CCC1CC1)CNC;APAFGQWTUDNFKA-UHFFFAOYSA-N;139.24;1.95;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_SC5";;;;;;;1.64;;-2.34;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM434023;MM434023;CC#CC1CCC(=CF)C1;BQIVIWXCAJXRCS-UHFFFAOYSA-N;138.19;2.66;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC2_SC4";;;;;;;4.16;;0.44;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM434024;MM434024;CNC(C)C1CC1CC#N;PYWKCPSUTAFUBJ-UHFFFAOYSA-N;138.21;1.14;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_SC5";;;;;;;1.64;;-3.13;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM434025;MM434025;CC=C(C#CCCF)CF;WWQXPIDTEMNUPA-UHFFFAOYSA-N;144.16;2.27;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4_Na";;;;;;;2.2;;0.34;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM434026;MM434026;Cn1cc(N)c(N)n1;LOQVLQHJQFWANA-UHFFFAOYSA-N;112.14;-0.42;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNa_SP2";;;;;;;-0.24;;-3.24;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM434027;MM434027;C#CC1(C#N)OC1CCO;XPMRBDZODSSBBK-UHFFFAOYSA-N;137.14;-0.34;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_SP1";;;;;;;-0.79;;-3.13;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM434028;MM434028;CCNC(=N)CCC1CC1;WLTXWYXNNJEUGU-UHFFFAOYSA-N;140.23;1.76;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_SC5";;;;;;;1.64;;-5.12;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM434029;MM434029;COC(C)C1CC1CC#N;WLXQXMYOMMRHIL-UHFFFAOYSA-N;139.2;1.57;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_SC5";;;;;;;1.64;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM434030;MM434030;CCCC#CC(=CF)CF;PVAJTCVDXLYFMS-UHFFFAOYSA-N;144.16;2.61;;;;;DOPC;MDCG;27;0;"MARTINI bead: C3_C5";;;;;;;3.34;;0.48;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM434031;MM434031;CC#CC1CCC(=NN)C1;SDWNCEBIKFIJKO-UHFFFAOYSA-N;136.2;1.12;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC2_SNd";;;;;;;2.83;;0.62;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM434032;MM434032;C#CC1(C=O)OC1CCF;OUUIAAQFAXIZLQ-UHFFFAOYSA-N;142.13;0.32;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_SP1";;;;;;;0.81;;-0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM434033;MM434033;O=CC1NC1C1CC1;UBUATMWFJCXVSO-UHFFFAOYSA-N;111.14;-0.06;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP2_SC5";;;;;;;0.54;;-1.09;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM434034;MM434034;CCCC(=N)NCC1CC1;GYRLJKACVZSLBA-UHFFFAOYSA-N;140.23;1.76;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_SC5";;;;;;;1.64;;-5;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM434035;MM434035;C#CC1(C=C)OC1CNC;SWWYMCDWRUXWIW-UHFFFAOYSA-N;137.18;0.16;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1_SNa";;;;;;;0.04;;-4.71;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM434036;MM434036;FC=C(C#CCCF)CF;ZGOZWTVGGAEJJE-UHFFFAOYSA-N;148.13;2.17;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_C5";;;;;;;1.64;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM434037;MM434037;N=CNC1CC1C(N)CF;JFHBGWROCWJZQE-UHFFFAOYSA-N;145.18;-0.13;;;;;DOPC;MDCG;27;1;"MARTINI bead: P2_SP1";;;;;;;-1.06;;-7.85;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM434038;MM434038;CC#CC1CCC(=NO)C1;ZXUYNEILONOTCO-UHFFFAOYSA-N;137.18;1.64;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC2_SNda";;;;;;;2.83;;0.57;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM434039;MM434039;CC1=CCC(O)C1(C)C;CHEZZVIBGVUXTL-UHFFFAOYSA-N;126.2;1.72;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC1_SNda";;;;;;;2.91;;0.57;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM434040;MM434040;CCNC(=N)NCC1CC1;KIQFLRSODDCCHM-UHFFFAOYSA-N;141.22;0.53;;;;;DOPC;MDCG;27;1;"MARTINI bead: P2_SC5";;;;;;;0.54;;-6.08;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM434041;MM434041;CC=C(C#CCNC)CC;BHTHHWLJOZZCQP-UHFFFAOYSA-N;137.23;1.57;;;;;DOPC;MDCG;27;1;"MARTINI bead: C1_P2";;;;;;;1.8;;-0.55;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM434042;MM434042;C#CC1(C#N)OC1CNC;MSLBRLDJURQFAK-UHFFFAOYSA-N;136.15;-0.5;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1_SP1";;;;;;;-0.79;;-4.26;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM434043;MM434043;N=CNC1CC1C(O)CO;PRYCYGKPAJPGJP-UHFFFAOYSA-N;144.17;-1.08;;;;;DOPC;MDCG;27;1;"MARTINI bead: P3_SP1";;;;;;;-1.93;;-8.47;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM434044;MM434044;Nc1nnoc(=NO)c1N;UIVNRAQMXLFDDM-UHFFFAOYSA-N;143.11;-1.48;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP3_SP2";;;;;;;-2.2;;-5.19;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM434045;MM434045;CC#CC1CNC(=NC)C1;SHQWZQOZIGBXDV-UHFFFAOYSA-N;136.2;0.65;;;;;DOPC;MDCG;27;1;"MARTINI bead: SNd_SN0";;;;;;;1.17;;-4.87;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM434046;MM434046;C=C(CCC)OCC1CC1;ZIDTYDDMYDQHJH-UHFFFAOYSA-N;140.23;2.73;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4_SC5";;;;;;;2.97;;0.45;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM434047;MM434047;C#CC1(C=C)OC1COC;UOPBEOSEYWJJNN-UHFFFAOYSA-N;138.17;0.59;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_SNa";;;;;;;0.04;;-2.54;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM434048;MM434048;CCC(C#CCNC)=CF;FORYCPPUBUIQQM-UHFFFAOYSA-N;141.19;1.47;;;;;DOPC;MDCG;27;1;"MARTINI bead: C3_P2";;;;;;;1.46;;-1.62;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM434049;MM434049;C=NNC1CC1C(C)CF;NDFKMQODNDBVML-UHFFFAOYSA-N;144.19;1.19;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4_SNd";;;;;;;2.2;;0.32;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM434050;MM434050;CC1=CC(C)C(O)C1C;GCHNVIWAVGLTNL-UHFFFAOYSA-N;126.2;1.58;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC2_SNda";;;;;;;2.83;;0.57;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM434051;MM434051;CC#CC1CN=C(NN)C1;FDSSIMLBJSPFCV-UHFFFAOYSA-N;137.19;-0.11;;;;;DOPC;MDCG;27;1;"MARTINI bead: SC5_SNd";;;;;;;1.64;;-1.99;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM434052;MM434052;C#CC1(C=O)OC1COC;BHIIVYMXJMPZRW-UHFFFAOYSA-N;140.14;-0.4;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_SP1";;;;;;;-0.79;;-3.13;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM434053;MM434053;C=NNC=NC(C)C=CC;BPPSAIRUFZBFSQ-UHFFFAOYSA-N;139.2;1.18;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1_P2";;;;;;;1.8;;0.4;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM434054;MM434054;CC=C(C#CCNC)CF;QTFRNBASNGGINL-UHFFFAOYSA-N;141.19;1.13;;;;;DOPC;MDCG;27;1;"MARTINI bead: P2_C4";;;;;;;1.09;;-1.94;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM434055;MM434055;NN=c1onnc(N)c1O;SRNCIDUUSNSOSJ-UHFFFAOYSA-N;143.11;-1.87;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP2_SP2";;;;;;;-1.34;;-4.31;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM434056;MM434056;C=C(CCN)CNC1CC1;GKEPAXGCUQWFOJ-UHFFFAOYSA-N;140.23;0.64;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_SP1";;;;;;;0.04;;-5.48;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM434057;MM434057;CC#CC1COC(=CC)C1;IUDCSKXANMUFNP-UHFFFAOYSA-N;136.19;1.95;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC5_SC5";;;;;;;2.41;;0.64;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM434058;MM434058;C=NNC1CC1C(C)OC;SPRUVWRPTZEOQU-UHFFFAOYSA-N;142.2;0.62;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_SNd";;;;;;;0.87;;-1.88;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM434059;MM434059;CNCC#CC(=CF)CF;VNZLKEMMQPFLNM-UHFFFAOYSA-N;145.15;1.03;;;;;DOPC;MDCG;27;1;"MARTINI bead: P2_C5";;;;;;;0.54;;-2.64;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM434060;MM434060;C#CC1(C#N)OC1COC;HYHWMIJNZFXYHB-UHFFFAOYSA-N;137.14;-0.07;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_SP1";;;;;;;-0.79;;-3.13;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM434061;MM434061;CN=c1[nH]c(C#N)no1;UWHWSDDONPTOCQ-UHFFFAOYSA-N;124.1;-0.6;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP2_SNda";;;;;;;-0.24;;-8.38;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM434062;MM434062;CCNC(=N)CNC1CC1;IPONZJLSLNCIMK-UHFFFAOYSA-N;141.22;0.33;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_SP1";;;;;;;0.04;;-6.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM434063;MM434063;CC#CC1COC(=CF)C1;CMBINAWARRTNPS-UHFFFAOYSA-N;140.16;1.86;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC5_SNa";;;;;;;1.64;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM434064;MM434064;C=COC1CC1C(C)CC;OFANAKGLVHWUKP-UHFFFAOYSA-N;140.23;2.58;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1_SNa";;;;;;;2.91;;0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM434065;MM434065;CC=C(C#CCOC)CC;GHLDQSRRXUPGBC-UHFFFAOYSA-N;138.21;1.99;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1_Na";;;;;;;2.91;;0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM434066;MM434066;C#CC(C(=O)O)=C(N)N;UZRGHGOQBSLEMN-UHFFFAOYSA-N;126.12;-1.17;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_P1";;;;;;;-0.79;;-8.67;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM434067;MM434067;C=C(F)C=NOC=NN;QTBUYVYJRGJFAG-UHFFFAOYSA-N;131.11;0.37;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_C5";;;;;;;0.54;;-1.09;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM434068;MM434068;CCCC(=N)NNC1CC1;BIJNVPXOFXEDAL-UHFFFAOYSA-N;141.22;1.02;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_SP1";;;;;;;0.04;;-6.32;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM434069;MM434069;C#CC1(C=C)CN1CCC;BBLAKWGNKRZMRV-UHFFFAOYSA-N;135.21;1.27;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nd_SP1";;;;;;;0.04;;-2.63;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM434070;MM434070;C=COC1CC1C(N)CN;UWSIPVRSRSDEHI-UHFFFAOYSA-N;142.2;-0.18;;;;;DOPC;MDCG;27;1;"MARTINI bead: P4_SNa";;;;;;;-1.19;;-7.04;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM434071;MM434071;CCC(C#CCOC)=CF;UYDZOMCOFBJRRK-UHFFFAOYSA-N;142.17;1.9;;;;;DOPC;MDCG;27;0;"MARTINI bead: C3_Na";;;;;;;2.57;;0.45;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM434072;MM434072;O=C1CC(=O)C(=O)C1;PLIKDTHMOISVIW-UHFFFAOYSA-N;112.08;-0.51;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNa_SNa";;;;;;;0.87;;-7.86;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM434073;MM434073;C#CC1(C=C)CN1CCN;AABAPCOSPJXGJE-UHFFFAOYSA-N;136.2;-0.18;;;;;DOPC;MDCG;27;1;"MARTINI bead: P4_SP1";;;;;;;-2.01;;-7.04;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM434074;MM434074;CCCC(=N)NOC1CC1;XQEZHJGROWXZCH-UHFFFAOYSA-N;142.2;1.45;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_SP1";;;;;;;0.04;;-5.09;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM434075;MM434075;CC#CC1COC(=NO)C1;WGUFOAPOARCWGD-UHFFFAOYSA-N;139.15;0.83;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC5_SP1";;;;;;;0.81;;-0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM434076;MM434076;C=COC1CC1C(N)CO;NHFOBVCPWSQGTO-UHFFFAOYSA-N;143.19;-0.15;;;;;DOPC;MDCG;27;1;"MARTINI bead: P3_SNa";;;;;;;-1.1;;-6.55;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM434077;MM434077;CC=C(C#CCOC)CN;PXEZCWHHZVNWMA-UHFFFAOYSA-N;139.2;0.54;;;;;DOPC;MDCG;27;1;"MARTINI bead: Na_Nd";;;;;;;0.87;;-3.63;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM434078;MM434078;CCNC(=N)NOC1CC1;STGPJNNUZJJWIP-UHFFFAOYSA-N;143.19;0.21;;;;;DOPC;MDCG;27;1;"MARTINI bead: P2_SP1";;;;;;;-1.06;;-7.22;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM434079;MM434079;Cc1nnoc(=NN)c1F;HJJQBNVQPXWUIT-UHFFFAOYSA-N;144.11;-0.71;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP1_SP1";;;;;;;-0.79;;-3.13;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM434080;MM434080;CC#CC1CC(=CC)CN1;IWZDJSBHCVBACN-UHFFFAOYSA-N;135.21;1.32;;;;;DOPC;MDCG;27;1;"MARTINI bead: SN0_SNd";;;;;;;1.17;;-2.92;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM434081;MM434081;CCC(O)CC1(CC)CC1;CCELATLHYQHOIZ-UHFFFAOYSA-N;142.24;2.34;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda_SC3";;;;;;;2.57;;0.44;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM434082;MM434082;C=COC1CC1C(N)CF;ADCUZKFXTHKYBJ-UHFFFAOYSA-N;145.18;0.83;;;;;DOPC;MDCG;27;1;"MARTINI bead: P2_SNa";;;;;;;-0.24;;-4.97;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM434083;MM434083;C=C(CCN)CCC1CN1;YOOAOCIZPYJDRW-UHFFFAOYSA-N;140.23;0.64;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_SP1";;;;;;;0.04;;-5.39;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM434084;MM434084;COCC#CC(=CF)CN;YVCMUPDCMZOAEX-UHFFFAOYSA-N;143.16;0.45;;;;;DOPC;MDCG;27;1;"MARTINI bead: Na_P1";;;;;;;0.04;;-4.15;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM434085;MM434085;Cc1[nH]c(C)c(N)c1N;CGFZALVHADSNFX-UHFFFAOYSA-N;125.18;0.8;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNd_SNd";;;;;;;0.87;;-2.11;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM434086;MM434086;CC#CC1CC(=CF)CN1;WRPRQKUMOWVQFN-UHFFFAOYSA-N;139.17;1.23;;;;;DOPC;MDCG;27;1;"MARTINI bead: SNd_SP1";;;;;;;0.04;;-4.05;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM434087;MM434087;C#CC1(C=C)CN1CCF;FBWMTNHHQQELHN-UHFFFAOYSA-N;139.17;0.83;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_SP1";;;;;;;-1.06;;-3.82;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM434088;MM434088;C=COC1CC1C(O)CO;BDJHTWDZXMKARH-UHFFFAOYSA-N;144.17;-0.11;;;;;DOPC;MDCG;27;0;"MARTINI bead: P3_SNa";;;;;;;-1.1;;-4.2;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM434089;MM434089;CCNC(=N)CCC1CN1;FYONUCIZLDXXFY-UHFFFAOYSA-N;141.22;0.33;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_SP1";;;;;;;0.04;;-7.7;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM434090;MM434090;CC=C(C#CCOC)CO;UAMGBRVJJYPEKQ-UHFFFAOYSA-N;140.18;0.57;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_Nda";;;;;;;0.87;;-1.99;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM434091;MM434091;CC(=O)OC(=NO)C(F)F;VGLMLDZPNUDULR-UHFFFAOYSA-N;153.08;0.6;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_Nda";;;;;;;0.87;;-7.7;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM434092;MM434092;CC#CC1CC(=NC)NN1;PBVPBEXPRRLITM-UHFFFAOYSA-N;137.19;-0.1;;;;;DOPC;MDCG;27;1;"MARTINI bead: SP2_SP1";;;;;;;-1.06;;-6.03;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM434093;MM434093;C#CC1(C=O)CN1CCC;BHIPFEIWXFDKAK-UHFFFAOYSA-N;137.18;0.28;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nd_SP2";;;;;;;-0.24;;-3.16;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM434094;MM434094;C=COC1CC1C(F)CN;ZOEYYHCFTATVRD-UHFFFAOYSA-N;145.18;0.83;;;;;DOPC;MDCG;27;1;"MARTINI bead: P2_SNa";;;;;;;-0.24;;-4.73;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM434095;MM434095;CCCC(=N)NCC1CN1;CAKACDFZHKHCBO-UHFFFAOYSA-N;141.22;0.33;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_SP1";;;;;;;0.04;;-7.36;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM434096;MM434096;CC=C(C#CCOC)CF;RECOIHHFVXSIFS-UHFFFAOYSA-N;142.17;1.55;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_C4";;;;;;;2.2;;0.34;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM434097;MM434097;NN=c1o[nH]nc1O;GNWAQNGMZQJPKJ-UHFFFAOYSA-N;116.08;-1.52;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP2_SP2";;;;;;;-1.34;;-9.49;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM434098;MM434098;C=CC(C)=NOC=NN;ZWPSHCQIRDRBGB-UHFFFAOYSA-N;127.15;0.47;;;;;DOPC;MDCG;27;0;"MARTINI bead: C3_P2";;;;;;;1.46;;-0.15;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM434099;MM434099;C#CC1(C#N)CN1CCC;YRTGCGATBRTBDE-UHFFFAOYSA-N;134.18;0.61;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nd_SP2";;;;;;;-0.24;;-3.16;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM434100;MM434100;C=NNC(=N)CC#CCC;BLABYXBRENIELL-UHFFFAOYSA-N;137.19;0.97;;;;;DOPC;MDCG;27;0;"MARTINI bead: C3_P2";;;;;;;1.46;;-0.15;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM434101;MM434101;CCNC(=N)NCC1CN1;RKVZPLGEIYZDJA-UHFFFAOYSA-N;142.21;-0.91;;;;;DOPC;MDCG;27;1;"MARTINI bead: P2_SP1";;;;;;;-1.06;;-8.63;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM434102;MM434102;COCC#CC(=CF)CF;VUQBGDOODLRENR-UHFFFAOYSA-N;146.14;1.46;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_C5";;;;;;;1.64;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM434103;MM434103;CC#CC1CC(=CC)CO1;SRHHTPKRFSLOPQ-UHFFFAOYSA-N;136.19;1.74;;;;;DOPC;MDCG;27;0;"MARTINI bead: SN0_SC5";;;;;;;1.94;;0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM434104;MM434104;C#CC=CC(C)C(O)CC;MSSYXLRDYFDQLW-UHFFFAOYSA-N;138.21;1.58;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda_C2";;;;;;;2.83;;0.57;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM434105;MM434105;NN=c1onnc(F)c1F;CYPQVHUVPYYXHW-UHFFFAOYSA-N;148.07;-0.88;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP2_SP1";;;;;;;-1.06;;-3.82;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM434106;MM434106;C=COC1CC1C(C)OC;MLMUMBUNBBETCW-UHFFFAOYSA-N;142.2;1.57;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_SNa";;;;;;;0.87;;-2.22;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM434107;MM434107;C=C(CCN)OCC1CN1;HHYFCPUPYLEMMW-UHFFFAOYSA-N;142.2;-0.16;;;;;DOPC;MDCG;27;1;"MARTINI bead: P2_SP1";;;;;;;-1.06;;-6.49;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM434108;MM434108;C#CC1(C=O)CN1CCF;GNGQLNPULRJSNL-UHFFFAOYSA-N;141.15;-0.16;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_SP2";;;;;;;-1.34;;-4.31;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM434109;MM434109;CCCC#CC(CC)=NN;MOFWSJVJQVYJKZ-UHFFFAOYSA-N;138.21;1.51;;;;;DOPC;MDCG;27;0;"MARTINI bead: C3_Nd";;;;;;;2.57;;0.53;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM434110;MM434110;CC#CC1CC(=CF)CO1;BSQPLXSFWBKMEG-UHFFFAOYSA-N;140.16;1.65;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC5_SNa";;;;;;;1.64;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM434111;MM434111;C=NOC1CC1C(C)OC;BXUXVOWBSOOLGT-UHFFFAOYSA-N;143.19;1.04;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_SNa";;;;;;;0.87;;-2.22;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM434112;MM434112;O=CC#CC(F)(F)C(=O)O;FKCNRVCRKYWNEH-UHFFFAOYSA-N;148.06;-0.09;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_C5";;;;;;;0.81;;-5.93;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM434113;MM434113;C=C(CCC)CCC1CO1;HCZITNLCUZGUHE-UHFFFAOYSA-N;140.23;2.52;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1_SNa";;;;;;;2.91;;0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM434114;MM434114;CC#CC1CC(=NN)CO1;IGXLZRSGFOHLRE-UHFFFAOYSA-N;138.17;0.11;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC5_SP1";;;;;;;0.81;;-0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM434115;MM434115;CCNc1nc(=N)nco1;HVJBHQNJRZZORK-UHFFFAOYSA-N;140.15;-0.02;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_SP3";;;;;;;-1.93;;-4.72;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM434116;MM434116;C#CC1(C#N)CN1CCF;VWTDGULPCITUNU-UHFFFAOYSA-N;138.15;0.17;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_SP2";;;;;;;-1.34;;-4.31;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM434117;MM434117;C=NN=C1CC2CC2N1;XQTKFWDODVQWOG-UHFFFAOYSA-N;123.16;0.38;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNd_SN0";;;;;;;1.17;;-1.04;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM434118;MM434118;CCC(C)C1NC1CC#N;FEVKNXMNVKLGKL-UHFFFAOYSA-N;138.21;1.29;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1_SP2";;;;;;;1.8;;0.41;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM434119;MM434119;C=C(CCN)CCC1CO1;IEFRDHQMCHUHSZ-UHFFFAOYSA-N;141.21;1.07;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_SNa";;;;;;;0.87;;-4.64;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM434120;MM434120;C#CC1(C=C)CC1CC=C;VNPSHCHDQVYFRV-UHFFFAOYSA-N;132.21;2.39;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4_SC5";;;;;;;2.97;;0.45;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM434121;MM434121;CC#CC1CC(=NO)CO1;OTALNKGFCGEZOG-UHFFFAOYSA-N;139.15;0.63;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC5_SP2";;;;;;;0.54;;-1.09;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM434122;MM434122;CCCC#CC(CC)=NO;WAQSGWSDUHFVKU-UHFFFAOYSA-N;139.2;2.03;;;;;DOPC;MDCG;27;0;"MARTINI bead: C3_Nda";;;;;;;2.57;;0.44;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM434123;MM434123;C=CCNC=NN=CC;MIIIKQZNGPKWIC-UHFFFAOYSA-N;125.18;0.8;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_P1";;;;;;;0.81;;-0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM434124;MM434124;C=CCC1NC1C(C)CN;GQBAAKZINACLBN-UHFFFAOYSA-N;140.23;0.5;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_SNd";;;;;;;0.87;;-4.59;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM434125;MM434125;CCC(C#CCCF)=NO;WPVIDAKHTXNHLO-UHFFFAOYSA-N;143.16;1.59;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda_Na";;;;;;;0.87;;-1.99;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM434126;MM434126;CCCC(=N)NCC1CO1;PJVMCEVARUUTMV-UHFFFAOYSA-N;142.2;0.75;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_SNa";;;;;;;0.87;;-6.41;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM434127;MM434127;C#CC1(C=C)CC1CC=O;ACNXMKCOKJOWQZ-UHFFFAOYSA-N;134.18;1.4;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC5_Na";;;;;;;1.64;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM434128;MM434128;Cc1onnc(=NO)c1N;URLICHNURMENIZ-UHFFFAOYSA-N;142.12;-0.75;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP2_SP2";;;;;;;-1.34;;-4.31;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM434129;MM434129;C=NN=C(NC)OCC;DHHWPCATEWUAES-UHFFFAOYSA-N;129.16;0.21;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_C5";;;;;;;0.54;;-1.09;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM434130;MM434130;CC(CF)C1NC1CC#N;ATINUEKUYTYJDI-UHFFFAOYSA-N;142.18;0.85;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4_SP2";;;;;;;1.09;;-0.37;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM434131;MM434131;CNN=c1on(C)cc1C;ANLARVQSSWUVNQ-UHFFFAOYSA-N;141.17;-0.04;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP1_SN0";;;;;;;0.34;;-1.53;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM434132;MM434132;N=C(CCN)NCC1CO1;NZGDWHDYQGXLLY-UHFFFAOYSA-N;143.19;-0.7;;;;;DOPC;MDCG;27;1;"MARTINI bead: P4_SNa";;;;;;;-1.19;;-8.25;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM434133;MM434133;C#CC1(C=C)CC1CC#N;QFTIYKCSTGVTJU-UHFFFAOYSA-N;131.18;1.73;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC5_P1";;;;;;;0.81;;-0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM434134;MM434134;O=c1o[nH]nc1CCCF;LBBDAIMWVMFMAU-UHFFFAOYSA-N;146.12;0.27;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP1_SP2";;;;;;;-1.06;;-8.96;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM434135;MM434135;C=CCC1NC1C(N)CO;MKZBFLGPPPCGAO-UHFFFAOYSA-N;142.2;-0.78;;;;;DOPC;MDCG;27;1;"MARTINI bead: P3_SNd";;;;;;;-1.1;;-5.55;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM434136;MM434136;C=COC(=NN)C(=C)F;YAUMCLJPNKOBAW-UHFFFAOYSA-N;130.12;0.9;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda_C5";;;;;;;1.64;;0.05;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM434137;MM434137;CCCC(=O)OCC1CO1;YLNSNVGRSIOCEU-UHFFFAOYSA-N;144.17;0.73;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_SNa";;;;;;;0.87;;-2.22;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM434138;MM434138;CCCC#CC(CF)=NN;TYWGBCBSJXJMNK-UHFFFAOYSA-N;142.18;1.07;;;;;DOPC;MDCG;27;0;"MARTINI bead: C3_P1";;;;;;;1.74;;0.29;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM434139;MM434139;C#CC1(C#N)CC1CC=C;RIVUVZKNDKPYBA-UHFFFAOYSA-N;131.18;1.73;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4_SN0";;;;;;;2.5;;0.44;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM434140;MM434140;O=c1o[nH]nc1CC1CC1;RDJVROPBOLLUGU-UHFFFAOYSA-N;140.14;0.32;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP2_SNa";;;;;;;-0.24;;-8.48;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM434141;MM434141;CC#CC1CCC(=NC)N1;SGKFMSYLCVHJEO-UHFFFAOYSA-N;136.2;0.79;;;;;DOPC;MDCG;27;1;"MARTINI bead: SNd_SN0";;;;;;;1.17;;-3.6;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM434142;MM434142;C=CN(C=O)NC(=N)C=O;VFINBJVYVNANNH-UHFFFAOYSA-N;141.13;-0.73;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_P2";;;;;;;-1.34;;-4.31;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM434143;MM434143;CC=C(C)C(=NN)OC;QQCKGUUVDRYVGV-UHFFFAOYSA-N;128.18;0.87;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda_C5";;;;;;;1.64;;0.05;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM434144;MM434144;C#CC1(C#N)CC1CC=O;AGQQLCLUTBTVBO-UHFFFAOYSA-N;133.15;0.74;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_SN0";;;;;;;1.17;;-1.18;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM434145;MM434145;NN=c1nnc(O)c(O)o1;RIPFFTHALRHOEU-UHFFFAOYSA-N;144.09;-1.74;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP3_SP3";;;;;;;-3.07;;-10.28;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM434146;MM434146;CCC(C#CCOC)=NN;FEIIZWNOSNZAQD-UHFFFAOYSA-N;140.19;0.36;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nd_Na";;;;;;;0.87;;-1.88;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM434147;MM434147;CN=C(C=O)NN(C)C=O;RXYVBEWPWKHEOF-UHFFFAOYSA-N;143.15;-1.19;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_P4";;;;;;;-1.19;;-4.76;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM434148;MM434148;Nc1cc(=O)n(N)nn1;JTTFUNNCWHBQOB-UHFFFAOYSA-N;127.11;-2.07;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP2_SP2";;;;;;;-1.34;;-4.31;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM434149;MM434149;C=C(CCN1CC1)CNC;LMHHHDRYHHEAQN-UHFFFAOYSA-N;140.23;0.47;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_SP1";;;;;;;0.04;;-5.07;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM434150;MM434150;C#CC1(C#N)CC1CC#N;ZGQQMTBKEWYJOV-UHFFFAOYSA-N;130.15;1.06;;;;;DOPC;MDCG;27;0;"MARTINI bead: SN0_P1";;;;;;;0.34;;-1.53;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM434151;MM434151;O=c1[nH]c(=NO)nc(O)o1;JSQHRROPYFOQJU-UHFFFAOYSA-N;145.07;-1.64;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP3_SP3";;;;;;;-3.07;;-10.28;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM434152;MM434152;CCC(C#CCOC)=NO;JHKGOGSQOXDGAO-UHFFFAOYSA-N;141.17;0.88;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda_Na";;;;;;;0.87;;-1.99;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM434153;MM434153;C=CCC1NC1C(F)CC;VSKJYGPUUJWWCI-UHFFFAOYSA-N;143.21;1.65;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4_SNd";;;;;;;2.2;;0.34;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM434154;MM434154;CC#CC1CNC(=NC)N1;OXOCOHBGZIVZRL-UHFFFAOYSA-N;137.19;-0.44;;;;;DOPC;MDCG;27;1;"MARTINI bead: SP1_SP2";;;;;;;-1.06;;-7.24;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM434155;MM434155;C=NNCC(C#N)CC;DZLXFXPBNNNBPF-UHFFFAOYSA-N;125.18;0.74;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_P1";;;;;;;0.81;;-0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM434156;MM434156;C#CC1(C=C)CC1NC=N;JICLAPCWTMXEBT-UHFFFAOYSA-N;134.18;0.76;;;;;DOPC;MDCG;27;1;"MARTINI bead: SC5_P3";;;;;;;-0.33;;-5.56;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM434157;MM434157;CCCC#CC(=NC)NC;WXBCBNRVMRBUCG-UHFFFAOYSA-N;138.21;1.04;;;;;DOPC;MDCG;27;1;"MARTINI bead: C3_P1";;;;;;;1.74;;-1.82;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM434158;MM434158;CN=c1nnoc(C)c1F;WYLWAEIKRLNYAZ-UHFFFAOYSA-N;143.12;0.05;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNa_SP1";;;;;;;0.04;;-2.54;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM434159;MM434159;C=CCC1NC1C(F)CF;UUSLGATYKBGBFA-UHFFFAOYSA-N;147.17;1.21;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_SNd";;;;;;;0.87;;-1.88;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM434160;MM434160;CC#CC1CNC(=NN)N1;NDVCEASRCQIOIE-UHFFFAOYSA-N;138.17;-1.2;;;;;DOPC;MDCG;27;1;"MARTINI bead: SP2_SP2";;;;;;;-1.34;;-6.27;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM434161;MM434161;C=C(CC#N)CCC1CC1;YYMPVWZBVFDJOX-UHFFFAOYSA-N;135.21;2.65;;;;;DOPC;MDCG;27;0;"MARTINI bead: N0_SC5";;;;;;;1.94;;0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM434162;MM434162;N=CN=CNNC(=N)C=O;CLPSNTJBKUSFED-UHFFFAOYSA-N;141.13;-1.11;;;;;DOPC;MDCG;27;0;"MARTINI bead: P5_P2";;;;;;;-2.22;;-6.53;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM434163;MM434163;CN=C(C#CCCN)NO;BPUPHYCSJHZGKU-UHFFFAOYSA-N;141.17;-0.65;;;;;DOPC;MDCG;27;1;"MARTINI bead: P2_Nd";;;;;;;-0.24;;-5.2;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM434164;MM434164;Cc1onnc(=NN)c1F;HEVOXZNEVXEGSC-UHFFFAOYSA-N;144.11;-0.71;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP1_SP2";;;;;;;-1.06;;-3.82;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM434165;MM434165;N#CCC1NC1C(F)CF;SYDNRJUJRGTYAJ-UHFFFAOYSA-N;146.14;0.55;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_SP2";;;;;;;-0.24;;-3.24;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM434166;MM434166;CC1=NC(=O)CCN1N;BPHKOWQWQZUYET-UHFFFAOYSA-N;127.15;-0.49;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP2_SNd";;;;;;;-0.24;;-3.16;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM434167;MM434167;C=CCC(=O)CCC1CC1;DWVRNYSNCPTSQR-UHFFFAOYSA-N;138.21;2.32;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_SC5";;;;;;;1.64;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM434168;MM434168;C#CC1(C=O)CC1NC=N;VOLKGZNICGUWBZ-UHFFFAOYSA-N;136.15;-0.23;;;;;DOPC;MDCG;27;1;"MARTINI bead: P3_SNa";;;;;;;-1.1;;-7.66;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM434169;MM434169;Nc1nc(=O)n(N)nc1N;DZNDTKZWMFZLLS-UHFFFAOYSA-N;142.12;-2.48;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP3_SP2";;;;;;;-2.2;;-5.19;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM434170;MM434170;Cc1onnc(=NO)c1F;NMPBJBCKCNURMF-UHFFFAOYSA-N;145.09;-0.19;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP1_SP2";;;;;;;-1.06;;-3.82;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM434171;MM434171;CCC(C)C1OC1CC#N;GBKIWUBWQCDYMW-UHFFFAOYSA-N;139.2;1.71;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1_SNa";;;;;;;2.91;;0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM434172;MM434172;C=C(CCC1CC1)NC=N;UHSJRJUJHPUZTI-UHFFFAOYSA-N;138.21;1.89;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_SC5";;;;;;;1.64;;-3.87;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM434173;MM434173;CC#CC1COC(=NC)N1;FGZCGNHHICGUTD-UHFFFAOYSA-N;138.17;-0.02;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP1_SP1";;;;;;;-0.79;;-3.13;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM434174;MM434174;C#CC(C=O)N1CC1(C)C;WFUTUKOJPUIDOB-UHFFFAOYSA-N;137.18;0.28;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP1_P2";;;;;;;-1.06;;-3.82;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM434175;MM434175;C#CC1(C#N)CC1NC=N;FWCUCEYQNJHSKA-UHFFFAOYSA-N;133.15;0.1;;;;;DOPC;MDCG;27;1;"MARTINI bead: P3_SN0";;;;;;;-0.8;;-6.33;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM434176;MM434176;CC(C)CC(C)C(C)(C)O;KGIFPAGYBGXJGY-UHFFFAOYSA-N;144.26;2.44;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1_Nda";;;;;;;2.91;;0.57;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM434177;MM434177;CC(CO)C1OC1CC#N;MUMYJEMYHOOMMK-UHFFFAOYSA-N;141.17;0.3;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda_SNa";;;;;;;0.87;;-1.99;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM434178;MM434178;C=C(CCC1CC1)NC=O;LEBYYDLEKGNOBF-UHFFFAOYSA-N;139.2;1.44;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda_SC5";;;;;;;1.64;;0.05;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM434179;MM434179;Cn1cc(N)c(=NN)o1;MPOVCLJCORYBPI-UHFFFAOYSA-N;128.14;-1.03;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP1_SP2";;;;;;;-1.06;;-3.82;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM434180;MM434180;C=CC(=O)C(C)=CNN=C;PXHBQKDNHQDLAJ-UHFFFAOYSA-N;138.17;0.85;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nd_Na";;;;;;;0.87;;-1.88;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM434181;MM434181;C#CC1(C=O)CC1NC=O;PTOFESIZFYAPKW-UHFFFAOYSA-N;137.14;-0.68;;;;;DOPC;MDCG;27;0;"MARTINI bead: P3_SNa";;;;;;;-1.1;;-4.2;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM434182;MM434182;CCC(C)(O)CCC(C)C;HVPGGLNDHUWMLS-UHFFFAOYSA-N;144.26;2.58;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda_C1";;;;;;;2.91;;0.57;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM434183;MM434183;N#CCC(=N)NCC1CC1;KJETUNPPDKAAJP-UHFFFAOYSA-N;137.19;0.88;;;;;DOPC;MDCG;27;1;"MARTINI bead: P2_SC5";;;;;;;0.54;;-3.55;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM434184;MM434184;CC(CF)C1OC1CC#N;YCDHDGOSCXIMTQ-UHFFFAOYSA-N;143.16;1.27;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4_SNa";;;;;;;2.2;;0.34;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM434185;MM434185;CC#CC1COC(=NO)N1;FXESMJJKCASFDZ-UHFFFAOYSA-N;140.14;-0.26;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP1_SP2";;;;;;;-1.06;;-3.82;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM434186;MM434186;CCC=NNCC(F)C#N;OOOYAKVWLXAULT-UHFFFAOYSA-N;143.17;0.83;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nd_Na";;;;;;;0.87;;-1.88;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM434187;MM434187;C#CC1(C#N)CC1NC=O;CGQZSYZRNHLLHO-UHFFFAOYSA-N;134.14;-0.35;;;;;DOPC;MDCG;27;0;"MARTINI bead: P3_SN0";;;;;;;-0.8;;-2.99;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM434188;MM434188;Nc1onnc(=NO)c1F;LWJQNSXFXCOUDB-UHFFFAOYSA-N;146.08;-0.92;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP2_SP2";;;;;;;-1.34;;-4.31;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM434189;MM434189;C=C(CC#N)OCC1CC1;REYTUAGYZIYVMW-UHFFFAOYSA-N;137.18;1.84;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_SC5";;;;;;;0.81;;-0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM434190;MM434190;C=CCC1OC1C(N)CN;JMGQCYHGIXYYMK-UHFFFAOYSA-N;142.2;-0.38;;;;;DOPC;MDCG;27;1;"MARTINI bead: P4_SNa";;;;;;;-1.19;;-6.74;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM434191;MM434191;CC#CC1CCC(=CC)O1;VIBNVKIEGRIEDV-UHFFFAOYSA-N;136.19;2.09;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC5_SC5";;;;;;;2.41;;0.64;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM434192;MM434192;C#CC1(C=C)CC1NN=C;SHUWVXSSVTYVPF-UHFFFAOYSA-N;134.18;0.77;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC5_P2";;;;;;;0.54;;-1.09;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM434193;MM434193;C=CC(=O)CNC=CC#N;COLUOLIIPMQFQW-UHFFFAOYSA-N;136.15;0.37;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_P1";;;;;;;0.04;;-2.54;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM434194;MM434194;O=c1o[nH]nc1CCF;RHORIOGDUVTHQM-UHFFFAOYSA-N;132.09;-0.13;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP2_SP2";;;;;;;-1.34;;-9.5;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM434195;MM434195;N#CCC(=O)OCC1CC1;UHCAEMVHQBGNLP-UHFFFAOYSA-N;139.15;0.85;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_SC5";;;;;;;0.81;;-0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM434196;MM434196;C=CCC1OC1C(O)CC;MFINHYAOZDBWMK-UHFFFAOYSA-N;142.2;1.1;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda_SNa";;;;;;;0.87;;-1.99;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM434197;MM434197;C#CC1(C=O)CC1NN=C;XMXSHMQZSIMWKQ-UHFFFAOYSA-N;136.15;-0.22;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_SNa";;;;;;;-0.24;;-3.24;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM434198;MM434198;CCCC#CC(=NO)NO;XTHOOHGUVQEVAM-UHFFFAOYSA-N;142.16;0.56;;;;;DOPC;MDCG;27;0;"MARTINI bead: C3_P4";;;;;;;0.52;;-1.59;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM434199;MM434199;CC#CC1CCC(=CF)O1;QVQYCANWLHPAGD-UHFFFAOYSA-N;140.16;2;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC5_SNa";;;;;;;1.64;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM434200;MM434200;O=c1o[nH]nc1CC=CF;ZACARGGQYDTYKZ-UHFFFAOYSA-N;144.11;0.39;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNa_SP2";;;;;;;-0.24;;-8.49;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM434201;MM434201;C=CCC(=C)CNC1CC1;SKUQSEASPZLSKK-UHFFFAOYSA-N;137.23;1.87;;;;;DOPC;MDCG;27;1;"MARTINI bead: C1_SP1";;;;;;;2.08;;-0.64;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM434202;MM434202;CC=CN=CN=C(N)C=O;YTFLKLICUOMOQZ-UHFFFAOYSA-N;139.16;0.1;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4_P3";;;;;;;0.23;;-1.03;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM434203;MM434203;CCC(O)C1OC1CC#N;OPPWKKJPDLRPSJ-UHFFFAOYSA-N;141.17;0.44;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda_SNa";;;;;;;0.87;;-1.99;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM434204;MM434204;NN=c1on(N)cc1N;CRNFPJMAXPEQIH-UHFFFAOYSA-N;129.12;-1.85;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP2_SP1";;;;;;;-1.06;;-3.82;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM434205;MM434205;NCCC#CC(=NO)NO;DYHZAVKEKKNIKB-UHFFFAOYSA-N;143.15;-0.89;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1_P1";;;;;;;-0.79;;-5.09;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM434206;MM434206;O=c1o[nH]nc1C1CC1;YLKGZWJCBHYZFE-UHFFFAOYSA-N;126.12;0.24;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP2_SP1";;;;;;;-1.06;;-8.96;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM434207;MM434207;C=C(CC=O)CNC1CC1;QBZLMKVHGNWXNS-UHFFFAOYSA-N;139.2;0.88;;;;;DOPC;MDCG;27;1;"MARTINI bead: Na_SP1";;;;;;;0.04;;-4.46;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM434208;MM434208;C=CCC1OC1C(O)CN;CKQNSCMNBAAGRL-UHFFFAOYSA-N;143.19;-0.35;;;;;DOPC;MDCG;27;1;"MARTINI bead: P3_SNa";;;;;;;-1.1;;-6.28;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM434209;MM434209;CC#CC1CCC(=NO)O1;SBXUZYVQMOEUAA-UHFFFAOYSA-N;139.15;0.98;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC5_SP1";;;;;;;0.81;;-0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM434210;MM434210;C#CC1(C=C)CC1OC=C;SLISOZYVIPYYDQ-UHFFFAOYSA-N;134.18;1.72;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_SC5";;;;;;;1.64;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM434211;MM434211;OCCC#CC(=NO)NO;ICOIFISOXKKVCK-UHFFFAOYSA-N;144.13;-0.86;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda_P4";;;;;;;-1.19;;-4.91;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM434212;MM434212;CCc1onnc(=N)c1C;GTRGUPPWMPIFKR-UHFFFAOYSA-N;139.16;0.42;;;;;DOPC;MDCG;27;0;"MARTINI bead: SN0_SP2";;;;;;;0.06;;-2.21;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM434213;MM434213;C=C(CC#N)CNC1CC1;YPIYSAAUECOXNY-UHFFFAOYSA-N;136.2;1.21;;;;;DOPC;MDCG;27;1;"MARTINI bead: N0_SP1";;;;;;;0.34;;-2.75;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM434214;MM434214;C=CCC1OC1C(O)CO;QDXNYRBQRBUKLZ-UHFFFAOYSA-N;144.17;-0.32;;;;;DOPC;MDCG;27;0;"MARTINI bead: P3_SNa";;;;;;;-1.1;;-4.2;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM434215;MM434215;CN1C(=N)C=NC1=NN;SJKNUIZPNIJMGN-UHFFFAOYSA-N;125.14;-0.79;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP2_SP2";;;;;;;-1.34;;-4.31;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM434216;MM434216;COCC#CC(=NO)NO;MYGXARMOROYNCF-UHFFFAOYSA-N;144.13;-0.6;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_P1";;;;;;;-0.79;;-3.13;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM434217;MM434217;C#CC1(C=C)CC1OC=O;UHFJWDYITRYSAW-UHFFFAOYSA-N;136.15;0.74;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC5_P1";;;;;;;0.81;;-0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM434218;MM434218;CCc1onnc(=O)c1C;KKNYFLLDRFYGRV-UHFFFAOYSA-N;140.14;0.3;;;;;DOPC;MDCG;27;0;"MARTINI bead: SN0_SP2";;;;;;;0.06;;-2.21;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM434219;MM434219;CC#CC1CNC(=NO)O1;SQJOIVSVNCXISZ-UHFFFAOYSA-N;140.14;-0.26;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP1_SP2";;;;;;;-1.06;;-3.82;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM434220;MM434220;C=CCC1OC1C(F)CC;OUGNDNVKAPQDIT-UHFFFAOYSA-N;144.19;2.08;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4_SNa";;;;;;;2.2;;0.34;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM434221;MM434221;C=CCC(=C)COC1CC1;DCTGSFYXCYKXPA-UHFFFAOYSA-N;138.21;2.3;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1_SP1";;;;;;;2.08;;0.48;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM434222;MM434222;C#CC1(C=O)CC1OC=C;UQXXWLWILPCAHH-UHFFFAOYSA-N;136.15;0.74;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_SNa";;;;;;;0.87;;-2.22;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM434223;MM434223;CC=C(C#CCCC)OC;ZSVMEHKXSUAOLH-UHFFFAOYSA-N;138.21;2.34;;;;;DOPC;MDCG;27;0;"MARTINI bead: C3_C5";;;;;;;3.34;;0.48;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM434224;MM434224;CCc1onnc(=O)c1N;GVHDGTPPAZRGNB-UHFFFAOYSA-N;141.13;-0.43;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP1_SP2";;;;;;;-1.06;;-3.82;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM434225;MM434225;CCC(F)C1OC1CC#N;UJOAMUAARGNUOL-UHFFFAOYSA-N;143.16;1.42;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4_SNa";;;;;;;2.2;;0.34;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM434226;MM434226;C=Cc1[nH]cc(N)c1N;XWSPYFWIOZEKMF-UHFFFAOYSA-N;123.16;0.82;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP1_SNd";;;;;;;0.04;;-2.63;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM434227;MM434227;C=CCC(=N)NOC1CC1;SWQRWBNDAKXMKR-UHFFFAOYSA-N;140.19;1.22;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1_SP1";;;;;;;-0.79;;-5.2;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM434228;MM434228;C#CC1(C#N)CC1OC=C;IDDPUGCWMGEDDC-UHFFFAOYSA-N;133.15;1.06;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_SN0";;;;;;;1.17;;-1.18;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM434229;MM434229;CC=C(C#CCCN)OC;RTBSNWLDNGYIBY-UHFFFAOYSA-N;139.2;0.89;;;;;DOPC;MDCG;27;1;"MARTINI bead: C5_Nd";;;;;;;1.64;;-2.26;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM434230;MM434230;C=CCC1OC1C(F)CN;SYOGPUFLWYJOSC-UHFFFAOYSA-N;145.18;0.63;;;;;DOPC;MDCG;27;1;"MARTINI bead: P2_SNa";;;;;;;-0.24;;-4.66;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM434231;MM434231;N#CC(F)=COCC(=O)O;ZBAUZRIPUJNCTR-UHFFFAOYSA-N;145.09;0.42;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_C5";;;;;;;0.54;;-6.16;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM434232;MM434232;CC#CC1COC(=NO)O1;BOMYFBWYIJEYSP-UHFFFAOYSA-N;141.13;0.17;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP1_SP2";;;;;;;-1.06;;-3.82;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM434233;MM434233;C=C(CCC1CN1)NC=N;FKQVBLDQXHJJLZ-UHFFFAOYSA-N;139.2;0.45;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_SP1";;;;;;;0.04;;-6.58;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM434234;MM434234;C#CC1(C=O)CC1OC=O;HJQMMWKDINLZGX-UHFFFAOYSA-N;138.12;-0.25;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_SNa";;;;;;;0.04;;-2.54;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM434235;MM434235;CC=C(C#CCCO)OC;WGYLGXMFQMRKOB-UHFFFAOYSA-N;140.18;0.92;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_Nda";;;;;;;1.64;;0.05;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM434236;MM434236;C=CCC1OC1C(C)OC;GRPRGIPGNKHHIO-UHFFFAOYSA-N;142.2;1.36;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_SNa";;;;;;;0.87;;-2.22;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM434237;MM434237;N=c1nn[nH]oc1=NO;CXGLXVNRKMQHOG-UHFFFAOYSA-N;129.08;-1.83;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP2_SP2";;;;;;;-1.34;;-9.5;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM434238;MM434238;CC#CC1OCC(=CC)O1;LPEXAQOZTBMSHS-UHFFFAOYSA-N;138.17;1.29;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNa_SNa";;;;;;;0.87;;-2.22;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM434239;MM434239;N#CCC(=N)NCC1CN1;DCHDPKQOLVBMPY-UHFFFAOYSA-N;138.17;-0.56;;;;;DOPC;MDCG;27;1;"MARTINI bead: P2_SP1";;;;;;;-1.06;;-5.96;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM434240;MM434240;C#CC1(C#N)CC1OC=O;XIWDJMZWJCERNQ-UHFFFAOYSA-N;135.12;0.07;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_SN0";;;;;;;0.34;;-1.53;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM434241;MM434241;CC=C(C#CCCF)OC;CLOSSPOKOYEXIJ-UHFFFAOYSA-N;142.17;1.9;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_Na";;;;;;;1.64;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM434242;MM434242;O=c1o[nH]nc1CC1CO1;VCNGZBPEHJINBO-UHFFFAOYSA-N;142.11;-0.7;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP2_SP2";;;;;;;-1.34;;-9.5;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM434243;MM434243;COC(C)C1OC1CC=O;AVLGFIQKBKVZHB-UHFFFAOYSA-N;144.17;0.38;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_SP1";;;;;;;0.04;;-2.54;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM434244;MM434244;CCC=C1CCC(CC)C1;BZXFYEGPRZVHKV-UHFFFAOYSA-N;138.25;3.53;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC1_SC1";;;;;;;4.95;;0.69;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM434245;MM434245;C=CNC(=N)NCC1CN1;SPMOLIFAWFUYOX-UHFFFAOYSA-N;140.19;-0.78;;;;;DOPC;MDCG;27;1;"MARTINI bead: P2_SP1";;;;;;;-1.06;;-8.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM434246;MM434246;C#CC1(C=C)CC1ON=C;QXQVCPGFEXJQBG-UHFFFAOYSA-N;135.17;1.2;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC5_P1";;;;;;;0.81;;-0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM434247;MM434247;N#CCc1noc(=NO)[nH]1;CSZAEFCQICYDKN-UHFFFAOYSA-N;140.1;-0.64;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP3_SNda";;;;;;;-1.1;;-8.47;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM434248;MM434248;CCCC#CC(=CF)OC;KDBZULWNMCURRW-UHFFFAOYSA-N;142.17;2.25;;;;;DOPC;MDCG;27;0;"MARTINI bead: C3_N0";;;;;;;2.87;;0.37;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM434249;MM434249;COC(C)C1OC1CC#N;GDMDBQIZSRHATM-UHFFFAOYSA-N;141.17;0.7;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_SNa";;;;;;;0.87;;-2.22;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM434250;MM434250;CCC1CCC(=CCN)C1;STZAXXLKBQISNE-UHFFFAOYSA-N;139.24;2.08;;;;;DOPC;MDCG;27;1;"MARTINI bead: SC1_SNd";;;;;;;2.91;;-0.08;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM434251;MM434251;C=CCC(=C)CCC1CO1;LLNDJGLIJDANCQ-UHFFFAOYSA-N;138.21;2.3;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1_SNa";;;;;;;2.91;;0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM434252;MM434252;C#CC1(C=O)CC1ON=C;XSQYGOUQVLWSEM-UHFFFAOYSA-N;137.14;0.21;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_SNa";;;;;;;0.04;;-2.54;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM434253;MM434253;CCc1onnc(=N)c1F;SSHQOICUXXIRGU-UHFFFAOYSA-N;143.12;0.25;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNa_SP2";;;;;;;-0.24;;-3.24;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM434254;MM434254;COC(C#CCCF)=CF;YPIGYEMPPHPLFC-UHFFFAOYSA-N;146.14;1.81;;;;;DOPC;MDCG;27;0;"MARTINI bead: N0_Na";;;;;;;1.17;;-1.18;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM434255;MM434255;CCN1CC1C#CC(C)=O;UJNATLZDFLAMEA-UHFFFAOYSA-N;137.18;0.28;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNd_Na";;;;;;;0.87;;-1.88;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM434256;MM434256;CCC=C1CCC(CN)C1;LJSPPFWAESAWEJ-UHFFFAOYSA-N;139.24;2.08;;;;;DOPC;MDCG;27;1;"MARTINI bead: SC1_SC5";;;;;;;3.68;;0.56;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM434257;MM434257;C=C(CC#N)CCC1CO1;OSMGCBCZTBBSTM-UHFFFAOYSA-N;137.18;1.64;;;;;DOPC;MDCG;27;0;"MARTINI bead: N0_SNa";;;;;;;1.17;;-1.18;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM434258;MM434258;C#CC1(C#N)CC1ON=C;VTHAJWGAZQSWAZ-UHFFFAOYSA-N;134.14;0.53;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_SN0";;;;;;;0.34;;-1.53;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM434259;MM434259;N=c1nnoc(CN)c1F;APLQLGXKSZRPPG-UHFFFAOYSA-N;144.11;-0.85;;;;;DOPC;MDCG;27;1;"MARTINI bead: SP2_SP2";;;;;;;-1.34;;-5.56;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM434260;MM434260;CC=C(C#CCNC)OC;WANLPOTXDVWRSE-UHFFFAOYSA-N;139.2;0.76;;;;;DOPC;MDCG;27;1;"MARTINI bead: P2_C5";;;;;;;0.54;;-2.6;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM434261;MM434261;CCC(C)C1CN1CC#N;DDJLHIITPWIDNO-UHFFFAOYSA-N;138.21;1.24;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1_SP1";;;;;;;2.08;;0.48;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM434262;MM434262;C=CCC(=O)CCC1CO1;DTSDPNWKGMJSDU-UHFFFAOYSA-N;140.18;1.31;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_SNa";;;;;;;0.87;;-2.22;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM434263;MM434263;NCC=C1CCC(CN)C1;WCTDFRFJOOJRHX-UHFFFAOYSA-N;140.23;0.63;;;;;DOPC;MDCG;27;1;"MARTINI bead: SNd_SC5";;;;;;;1.64;;-2.8;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM434264;MM434264;C#CC1(C=C)NC1CC=C;SANWGMIPJHHHCS-UHFFFAOYSA-N;133.19;1.09;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4_SP1";;;;;;;1.37;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM434265;MM434265;N=c1nnoc(CO)c1F;ZYPOVSFSBWVUEF-UHFFFAOYSA-N;145.09;-0.82;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP2_SP2";;;;;;;-1.34;;-4.31;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM434266;MM434266;CC=C(C#CCOC)OC;CQPNZAUWZICEAS-UHFFFAOYSA-N;140.18;1.19;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_C5";;;;;;;1.64;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM434267;MM434267;C#CCN1CCC(=O)C=N1;JBPNCCOHGCRJFS-UHFFFAOYSA-N;136.15;-0.12;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP1_SN0";;;;;;;0.34;;-1.53;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM434268;MM434268;C=C(CCC1CO1)NC=N;JBSGHRWUOPWGSJ-UHFFFAOYSA-N;140.19;0.88;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_SNa";;;;;;;0.87;;-5.85;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM434269;MM434269;COC(=NN)C(F)=CF;APWSYQARZQJTCJ-UHFFFAOYSA-N;136.1;0.69;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_C5";;;;;;;0.81;;-0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM434270;MM434270;COC=NNCC1(C)CC1;RUZMVHNBHRFJQZ-UHFFFAOYSA-N;142.2;0.97;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_SC4";;;;;;;1.37;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM434271;MM434271;N=c1nnoc(CF)c1F;PADAROAIISYDTL-UHFFFAOYSA-N;147.08;0.16;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP1_SP2";;;;;;;-1.06;;-3.82;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM434272;MM434272;COCC#CC(=CF)OC;JWMPZCGLWPZKSK-UHFFFAOYSA-N;144.15;1.09;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_N0";;;;;;;1.17;;-1.18;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM434273;MM434273;C=CCN1CC1C(N)CC;KWKCYLYFADYRPM-UHFFFAOYSA-N;140.23;0.59;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_SNd";;;;;;;0.87;;-4.35;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM434274;MM434274;N#CCC(=N)NCC1CO1;KJFJZZJBFUZLGS-UHFFFAOYSA-N;139.16;-0.13;;;;;DOPC;MDCG;27;1;"MARTINI bead: P2_SNa";;;;;;;-0.24;;-5.09;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM434275;MM434275;NCC=C1CCC(CO)C1;CSBGPFXUXPWFKX-UHFFFAOYSA-N;141.21;0.66;;;;;DOPC;MDCG;27;1;"MARTINI bead: SNd_SC5";;;;;;;1.64;;-2.14;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM434276;MM434276;C#CC1(C=C)NC1CC#N;VRWNDKYTYCFAKF-UHFFFAOYSA-N;132.17;0.43;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP1_P1";;;;;;;-0.79;;-3.13;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM434277;MM434277;CCc1onnc(=O)c1F;CNGAWXHYJVUKHP-UHFFFAOYSA-N;144.11;0.13;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNa_SP2";;;;;;;-0.24;;-3.24;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM434278;MM434278;C=CCCC1CC1(O)CC;HEAYRZCHNNGUTD-UHFFFAOYSA-N;140.23;2.11;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNda_C3";;;;;;;2.57;;0.44;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM434279;MM434279;OCC=C1CCC(CO)C1;AOQHYGOCGVGLJM-UHFFFAOYSA-N;142.2;0.7;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC5_SC5";;;;;;;2.41;;0.64;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM434280;MM434280;C=CCN1CC1C(N)CO;BEHHSPKBYWOANL-UHFFFAOYSA-N;142.2;-0.82;;;;;DOPC;MDCG;27;1;"MARTINI bead: P3_SNd";;;;;;;-1.1;;-5.55;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM434281;MM434281;C=CCC(=C)OCC1CO1;QEDYIDJWTIMQAB-UHFFFAOYSA-N;140.18;1.49;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_SNa";;;;;;;1.64;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM434282;MM434282;C#CC1(C#N)NC1CC=C;YANJTEVAEYYJSQ-UHFFFAOYSA-N;132.17;0.43;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4_SP2";;;;;;;1.09;;-0.38;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM434283;MM434283;CCCC#CC(=NO)OC;UKMGJQJHIFBKGR-UHFFFAOYSA-N;141.17;1.22;;;;;DOPC;MDCG;27;0;"MARTINI bead: C3_P2";;;;;;;1.46;;-0.15;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM434284;MM434284;O=c1nnoc(CO)c1F;DRZXJWYVUVLXEC-UHFFFAOYSA-N;146.08;-0.94;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP2_SP2";;;;;;;-1.34;;-4.31;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM434285;MM434285;C=NNC1=NCC(=CC)C1;PCZOBQNFJLVODM-UHFFFAOYSA-N;137.19;0.94;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC4_SNd";;;;;;;2.2;;0.32;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM434286;MM434286;C=C(CC#N)OCC1CO1;AVOQGXNZMFZKBM-UHFFFAOYSA-N;139.15;0.83;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_SNa";;;;;;;0.04;;-2.54;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM434287;MM434287;NCC=C1CCC(CF)C1;NPHHLPIRIQJBOK-UHFFFAOYSA-N;143.21;1.64;;;;;DOPC;MDCG;27;1;"MARTINI bead: SNd_SC3";;;;;;;2.57;;-0.97;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM434288;MM434288;C#CCC(=NN)C(C)=NN;IDDVZSXVRKJSBF-UHFFFAOYSA-N;138.17;-0.34;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_N0";;;;;;;0.34;;-1.53;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM434289;MM434289;O=c1nnoc(CF)c1F;HZZYLRGANAEWFG-UHFFFAOYSA-N;148.07;0.04;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP1_SP2";;;;;;;-1.06;;-3.82;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM434290;MM434290;COC(C#CCCN)=NO;SPGBIFWSRJOOLH-UHFFFAOYSA-N;142.16;-0.23;;;;;DOPC;MDCG;27;1;"MARTINI bead: P2_Nd";;;;;;;-0.24;;-5.79;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM434291;MM434291;N#CC=C1N=C(CF)NN1;FTZWKJMXAMXYHP-UHFFFAOYSA-N;140.12;-0.17;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP2_SP2";;;;;;;-1.34;;-4.31;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM434292;MM434292;CCCCC(=NN)OC;YQXLKGDYNNPRPX-UHFFFAOYSA-N;130.19;1.1;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1_P1";;;;;;;2.08;;0.48;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM434293;MM434293;OCC=C1CCC(CF)C1;ZYEUVLCCPOWGEY-UHFFFAOYSA-N;144.19;1.67;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC5_SC3";;;;;;;3.34;;0.48;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM434294;MM434294;C#CC1(C=O)NC1CC#N;FBCCLHBKQWNEDB-UHFFFAOYSA-N;134.14;-0.56;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP2_P1";;;;;;;-1.06;;-3.82;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM434295;MM434295;C#CC1(C)CCC(C)(O)C1;BKVWRCUZWQLSFC-UHFFFAOYSA-N;138.21;1.56;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNda_SC3";;;;;;;2.57;;0.44;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM434296;MM434296;COC(C#CCCO)=NO;UABUZWUOEHOFNU-UHFFFAOYSA-N;143.14;-0.19;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_Nda";;;;;;;-0.24;;-3.31;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM434297;MM434297;C#CCC(=C)CCC1CC1;KSCDZAOXCGALHF-UHFFFAOYSA-N;134.22;2.76;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4_SC5";;;;;;;2.97;;0.45;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM434298;MM434298;C=Cc1noc(C=C)c1N;BGPDPSMRLWYELZ-UHFFFAOYSA-N;136.15;1.54;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNda_SN0";;;;;;;1.17;;-1.13;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM434299;MM434299;C=CC(=NNC)OCCF;IYSHAAHIFWVZLY-UHFFFAOYSA-N;146.17;0.69;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_N0";;;;;;;0.34;;-1.53;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM434300;MM434300;CCC=C1CCC(NC)C1;WPXIMCNFEGHJFV-UHFFFAOYSA-N;139.24;2.09;;;;;DOPC;MDCG;27;1;"MARTINI bead: SC1_SNd";;;;;;;2.91;;-0.88;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM434301;MM434301;CNc1onnc(=O)c1C;HVQGMAVPTBYKHD-UHFFFAOYSA-N;141.13;-0.22;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP1_SP2";;;;;;;-1.06;;-3.82;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM434302;MM434302;C=CCC#CC(=CC)CC;YYHUFNWEBFTDLR-UHFFFAOYSA-N;134.22;2.92;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1_C5";;;;;;;3.68;;0.46;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM434303;MM434303;C#CCC(=N)NCC1CC1;BRILSSACIUGNIY-UHFFFAOYSA-N;136.2;0.99;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1_SC5";;;;;;;0.81;;-4.05;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM434304;MM434304;C=CCN1CC1C(F)CF;ODUIIKQNRAIPDN-UHFFFAOYSA-N;147.17;1.16;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_SNd";;;;;;;0.87;;-1.88;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM434305;MM434305;C#CC1(C#N)NC1CC#N;FITBAZBUOAINLC-UHFFFAOYSA-N;131.14;-0.23;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP2_P1";;;;;;;-1.06;;-3.82;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM434306;MM434306;CNC1CCC(=CCN)C1;PNYHMLUHXBLABQ-UHFFFAOYSA-N;140.23;0.64;;;;;DOPC;MDCG;27;1;"MARTINI bead: SNd_SNd";;;;;;;0.87;;-5.31;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM434307;MM434307;C=NNC(C#N)C(C)(F)F;BTTGXBBQOTXTHL-UHFFFAOYSA-N;147.13;0.74;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_P1";;;;;;;0.81;;-0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM434308;MM434308;CC=C(C#CCC=O)CC;JNIHQCPNDXDPKQ-UHFFFAOYSA-N;136.19;1.94;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1_Na";;;;;;;2.91;;0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM434309;MM434309;C#CCC(=O)NCC1CC1;YUUZCYKNUNILLZ-UHFFFAOYSA-N;137.18;0.54;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_SC5";;;;;;;0.54;;-1.09;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM434310;MM434310;CNC(C)C1CN1CC=O;YRAZRUWLOWROMH-UHFFFAOYSA-N;142.2;-0.52;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_SP1";;;;;;;0.04;;-5.12;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM434311;MM434311;C#CC1(C=C)OC1CC=C;NAQWGUATKXCDLS-UHFFFAOYSA-N;134.18;1.52;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4_SNa";;;;;;;2.2;;0.34;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM434312;MM434312;CCC=C1CCC(OC)C1;VIBVVMJKHBJZQX-UHFFFAOYSA-N;140.23;2.52;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC1_SC5";;;;;;;3.68;;0.46;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM434313;MM434313;CNc1onnc(=O)c1N;NYUCXEXKPGAJTN-UHFFFAOYSA-N;142.12;-0.95;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP3_SP2";;;;;;;-2.2;;-5.19;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM434314;MM434314;CC=C(C#CCC#N)CC;QXHFNKOLJQVLDG-UHFFFAOYSA-N;133.19;2.26;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1_N0";;;;;;;3.21;;0.46;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM434315;MM434315;C#CCC(=C)CNC1CC1;FHKHEHBAIUELJP-UHFFFAOYSA-N;135.21;1.32;;;;;DOPC;MDCG;27;1;"MARTINI bead: C4_SP1";;;;;;;1.37;;-2.12;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM434316;MM434316;C=CCN1CC1C(C)OC;FTZAYICEZDBNMW-UHFFFAOYSA-N;141.21;0.89;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_SNd";;;;;;;0.87;;-1.88;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM434317;MM434317;C#CC1(C=C)OC1CC=O;LGBJOBFEVFCWJR-UHFFFAOYSA-N;136.15;0.53;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNa_Na";;;;;;;0.87;;-2.22;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM434318;MM434318;C#CC(C)C(C)(C)C(C)O;GFGCSZFTRUPAKD-UHFFFAOYSA-N;140.23;1.66;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda_C5";;;;;;;1.64;;0.05;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM434319;MM434319;COC1CCC(=CCN)C1;FFJQKBXDEJKTGJ-UHFFFAOYSA-N;141.21;1.07;;;;;DOPC;MDCG;27;1;"MARTINI bead: SC5_SNd";;;;;;;1.64;;-2.14;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM434320;MM434320;C=CCC#CC(=CF)CC;JXYBVNQXSVOGEU-UHFFFAOYSA-N;138.19;2.83;;;;;DOPC;MDCG;27;0;"MARTINI bead: C3_C5";;;;;;;3.34;;0.48;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM434321;MM434321;COC(C)C1CN1CC#N;NWXWHZBRGAZECY-UHFFFAOYSA-N;140.19;0.23;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_SP1";;;;;;;0.04;;-2.54;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM434322;MM434322;C=CCCC(=NN)OC;WDPHAZZAKURAAR-UHFFFAOYSA-N;128.18;0.87;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda_C4";;;;;;;2.2;;0.49;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM434323;MM434323;C#CC1(C=C)OC1CC#N;FIWVKEIKBFZHJU-UHFFFAOYSA-N;133.15;0.86;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNa_P1";;;;;;;0.04;;-2.54;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM434324;MM434324;COC1CCC(=CCO)C1;ZACRHUCRLAVLBD-UHFFFAOYSA-N;142.2;1.1;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC5_SC5";;;;;;;2.41;;0.64;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM434325;MM434325;CNc1onnc(=O)c1F;RVRYZEOWCGCGRF-UHFFFAOYSA-N;145.09;-0.39;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP2_SP2";;;;;;;-1.34;;-4.31;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM434326;MM434326;CCC(C#CCC=O)=CF;BSGYXCJLUMZGAF-UHFFFAOYSA-N;140.16;1.84;;;;;DOPC;MDCG;27;0;"MARTINI bead: C3_Na";;;;;;;2.57;;0.45;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM434327;MM434327;N=CNN1CC1C(N)CN;GYKFCCNXHPEYAJ-UHFFFAOYSA-N;143.19;-1.93;;;;;DOPC;MDCG;27;1;"MARTINI bead: P4_SP3";;;;;;;-3.15;;-9.53;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM434328;MM434328;C#CCC(=N)NCC1CN1;RLGSXOBXUZQBID-UHFFFAOYSA-N;137.19;-0.45;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1_SP1";;;;;;;-0.79;;-6.38;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM434329;MM434329;C#CC1(C#N)OC1CC=C;KIDBKNYKCXMWOS-UHFFFAOYSA-N;133.15;0.86;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4_SP1";;;;;;;1.37;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM434330;MM434330;CCC=C1CNC(CC)C1;IGEGFUCNIJDSJZ-UHFFFAOYSA-N;139.24;2.09;;;;;DOPC;MDCG;27;1;"MARTINI bead: SN0_SNd";;;;;;;1.17;;-4.29;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM434331;MM434331;COc1onnc(=N)c1C;IZHFLIVXCRCXBE-UHFFFAOYSA-N;141.13;-0.13;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP1_SP2";;;;;;;-1.06;;-3.82;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM434332;MM434332;CCC(C#CCC#N)=CF;CLLGVPUCBHQBER-UHFFFAOYSA-N;137.16;2.17;;;;;DOPC;MDCG;27;0;"MARTINI bead: C3_N0";;;;;;;2.87;;0.37;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM434333;MM434333;C#CCC(=O)CCC1CO1;MZROZECXMRVACW-UHFFFAOYSA-N;138.17;0.76;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_SNa";;;;;;;0.87;;-2.22;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM434334;MM434334;C=CCC1CN1C(C)CN;QMOSNCBBPQXPLY-UHFFFAOYSA-N;140.23;0.59;;;;;DOPC;MDCG;27;1;"MARTINI bead: P3_SN0";;;;;;;-0.8;;-4.96;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM434335;MM434335;C#CC1(C=O)OC1CC=O;QISGQZDTEBMCTN-UHFFFAOYSA-N;138.12;-0.45;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_SP1";;;;;;;0.04;;-2.54;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM434336;MM434336;CCC1CC(=CCN)CN1;JEPMYPJNLCKJMG-UHFFFAOYSA-N;140.23;0.64;;;;;DOPC;MDCG;27;1;"MARTINI bead: SNd_SP2";;;;;;;-0.24;;-6.42;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM434337;MM434337;COc1onnc(=O)c1C;NFULMIJLNDLQGF-UHFFFAOYSA-N;142.11;-0.25;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP1_SP2";;;;;;;-1.06;;-3.82;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM434338;MM434338;C=CCC#CC(=CC)CN;DPBMMRIXXJENPH-UHFFFAOYSA-N;135.21;1.47;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_C5";;;;;;;1.64;;-1.67;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM434339;MM434339;C#CCC(=N)NCC1CO1;MYFRVJDYWGSGME-UHFFFAOYSA-N;138.17;-0.02;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1_SNa";;;;;;;0.04;;-5.49;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM434340;MM434340;C#CC1(C#N)OC1CC=O;IUWSBOJAMODUCD-UHFFFAOYSA-N;135.12;-0.13;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_SP1";;;;;;;0.04;;-2.54;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM434341;MM434341;CC(CF)N1CC1CC#N;HCFWEDMMPGSHSY-UHFFFAOYSA-N;142.18;0.94;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_SP2";;;;;;;-1.06;;-3.82;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM434342;MM434342;CCC=C1CNC(CN)C1;MRHDELRVOCGVDO-UHFFFAOYSA-N;140.23;0.64;;;;;DOPC;MDCG;27;1;"MARTINI bead: SN0_SP1";;;;;;;0.34;;-4.28;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM434343;MM434343;COc1onnc(=N)c1N;GILFZLLRYZPVBP-UHFFFAOYSA-N;142.12;-0.86;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP3_SP2";;;;;;;-2.2;;-5.19;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM434344;MM434344;C=CCC#CC(=CF)CN;BHZJUZXFVDYCQB-UHFFFAOYSA-N;139.17;1.38;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1_C5";;;;;;;0.81;;-2.13;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM434345;MM434345;C#CCC(=O)NCC1CO1;NGHHQHYCUZSXKM-UHFFFAOYSA-N;139.15;-0.48;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_SNa";;;;;;;-0.24;;-3.24;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM434346;MM434346;C#CC1(C#N)OC1CC#N;FCSMZSFEEJFPPR-UHFFFAOYSA-N;132.12;0.19;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP1_P1";;;;;;;-0.79;;-3.13;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM434347;MM434347;C#CCC1CC1C(C)CC;WVNSGHCFUBMPPD-UHFFFAOYSA-N;136.24;2.69;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1_SC4";;;;;;;4.24;;0.42;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM434348;MM434348;NCC=C1CNC(CN)C1;QXHFJVIQEZYJAO-UHFFFAOYSA-N;141.22;-0.81;;;;;DOPC;MDCG;27;1;"MARTINI bead: SP2_SP1";;;;;;;-1.06;;-6.67;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM434349;MM434349;COc1onnc(=O)c1N;IZIVQONKTHZQPP-UHFFFAOYSA-N;143.1;-0.98;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP3_SP2";;;;;;;-2.2;;-5.19;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM434350;MM434350;C=CCC#CC(=CC)CO;JWAJBRSEWOLEOV-UHFFFAOYSA-N;136.19;1.5;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda_C5";;;;;;;1.64;;0.05;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM434351;MM434351;C#CCC(=C)OCC1CO1;YRGGMQSHNUWNQW-UHFFFAOYSA-N;138.17;0.94;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_SNa";;;;;;;0.87;;-2.22;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM434352;MM434352;C#CC1(C=C)CN1CC=C;SJBIAQGVKJXAAI-UHFFFAOYSA-N;133.19;1.05;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_SP1";;;;;;;-0.79;;-3.13;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM434353;MM434353;C#CCC1CC1C(C)CN;WRBVVIMQOIPIJP-UHFFFAOYSA-N;137.23;1.24;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_SC4";;;;;;;2.2;;-2.23;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM434354;MM434354;CCC=C1CNC(CO)C1;MMVVNBJXNZYXMK-UHFFFAOYSA-N;141.21;0.68;;;;;DOPC;MDCG;27;1;"MARTINI bead: SN0_SP1";;;;;;;0.34;;-4.05;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM434355;MM434355;O=c1o[nH]nc1CC(F)F;VAEKCXNCSVWDQY-UHFFFAOYSA-N;150.08;0.17;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP1_SP2";;;;;;;-1.06;;-8.97;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM434356;MM434356;CC=C(C#CCC=O)CO;ZDWYDQCMYBOUSM-UHFFFAOYSA-N;138.17;0.52;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda_Na";;;;;;;0.87;;-1.99;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM434357;MM434357;CC=CC(C)NCC1CC1;IOCHSSHUYUAPEV-UHFFFAOYSA-N;139.24;1.95;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_SC5";;;;;;;1.64;;-2.54;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM434358;MM434358;C#CC1=CC(C)C(O)C1C;SYOQFSSDJASBHR-UHFFFAOYSA-N;136.19;1.19;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC4_SNda";;;;;;;2.2;;0.49;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM434359;MM434359;C=COCCN=CNN=C;BEJVSPUUSPCAEU-UHFFFAOYSA-N;141.17;0.38;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_P2";;;;;;;0.54;;-1.09;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM434360;MM434360;NCC=C1CNC(CO)C1;DVSDPCFEONSJRY-UHFFFAOYSA-N;142.2;-0.77;;;;;DOPC;MDCG;27;1;"MARTINI bead: SP2_SP1";;;;;;;-1.06;;-6.5;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM434361;MM434361;CC=C(C#CCC#N)CO;VOHIKQFOAMXKRQ-UHFFFAOYSA-N;135.17;0.84;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda_N0";;;;;;;1.17;;-1.13;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM434362;MM434362;O=c1o[nH]nc1C1CC1F;HKECQGXMBNNRKZ-UHFFFAOYSA-N;144.11;0.19;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP1_SP2";;;;;;;-1.06;;-8.97;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM434363;MM434363;CC=CC(C)CNC1CC1;DCXGJSLZHXSHLD-UHFFFAOYSA-N;139.24;1.95;;;;;DOPC;MDCG;27;1;"MARTINI bead: C1_SP1";;;;;;;2.08;;-1.3;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM434364;MM434364;C#CCC1CC1C(C)CF;QISCHVKOJLQRFB-UHFFFAOYSA-N;140.2;2.25;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4_SC4";;;;;;;3.53;;0.53;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM434365;MM434365;C#CC1(C=C)CN1CC#N;KATXXSIZAQSWJO-UHFFFAOYSA-N;132.17;0.38;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP1_P3";;;;;;;-1.93;;-4.72;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM434366;MM434366;CCC=C1CNC(CF)C1;DUQMCPFZTMJZAX-UHFFFAOYSA-N;143.21;1.65;;;;;DOPC;MDCG;27;1;"MARTINI bead: SN0_SNda";;;;;;;1.17;;-2.71;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM434367;MM434367;C=CCC#CC(=CF)CO;GLKAKCOBNHSVEJ-UHFFFAOYSA-N;140.16;1.41;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda_C5";;;;;;;1.64;;0.05;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM434368;MM434368;COc1onnc(=N)c1F;WASREUAJTOFMTA-UHFFFAOYSA-N;145.09;-0.3;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP1_SP2";;;;;;;-1.06;;-3.82;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM434369;MM434369;CC=CC(N)CNC1CC1;SFCCCALKRJYDJG-UHFFFAOYSA-N;140.23;0.64;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_SP1";;;;;;;0.04;;-5.04;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM434370;MM434370;C#CCC1CC1C(N)CN;ZSJGZIPFDBSDLG-UHFFFAOYSA-N;138.21;-0.07;;;;;DOPC;MDCG;27;1;"MARTINI bead: P4_SC4";;;;;;;0.15;;-4.5;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM434371;MM434371;NCC=C1CNC(CF)C1;DXZJDFDVABYSMT-UHFFFAOYSA-N;144.19;0.2;;;;;DOPC;MDCG;27;1;"MARTINI bead: SP2_SNda";;;;;;;-0.24;;-5.62;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM434372;MM434372;C#CC1(C#N)CN1CC=C;KADPTLMZFVPUJI-UHFFFAOYSA-N;132.17;0.38;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_SP2";;;;;;;-1.06;;-3.82;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM434373;MM434373;O=CCC#CC(=CF)CO;IOUHYXSLRQDYOX-UHFFFAOYSA-N;142.13;0.42;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda_Na";;;;;;;0.87;;-1.99;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM434374;MM434374;COc1onnc(=O)c1F;YETNUGUCSTYFRJ-UHFFFAOYSA-N;146.08;-0.42;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP1_SP2";;;;;;;-1.06;;-3.82;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM434375;MM434375;CC=CC(O)CNC1CC1;AEIDXZHSUBIFPY-UHFFFAOYSA-N;141.21;0.68;;;;;DOPC;MDCG;27;1;"MARTINI bead: C5_SP1";;;;;;;0.81;;-2.67;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM434376;MM434376;C#CCC1CC1C(N)CF;CRPFFQSDEONSHU-UHFFFAOYSA-N;141.19;0.94;;;;;DOPC;MDCG;27;1;"MARTINI bead: P2_SC4";;;;;;;1.09;;-2.14;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM434377;MM434377;CCC=C1COC(CC)C1;DHPIMIWDSHPMIM-UHFFFAOYSA-N;140.23;2.52;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC5_SC5";;;;;;;2.41;;0.64;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM434378;MM434378;C=CC1=CC2C(C)C2(O)C1;ZYIDKOBORGDNRY-UHFFFAOYSA-N;136.19;1.5;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC3_SNda";;;;;;;2.57;;0.44;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM434379;MM434379;C=CCC#CC(=CC)CF;CATAEVWCRJCNOZ-UHFFFAOYSA-N;138.19;2.48;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4_C5";;;;;;;2.97;;0.45;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM434380;MM434380;C=Cc1onnc(=N)c1N;SMHLHNZXKBOOMY-UHFFFAOYSA-N;138.13;-0.23;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP2_SP2";;;;;;;-1.34;;-4.31;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM434381;MM434381;CC=CC(N)COC1CC1;HMQDVNHWENRVGN-UHFFFAOYSA-N;141.21;1.07;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_SP1";;;;;;;0.04;;-4.38;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM434382;MM434382;O=CC#CCNN=CCF;NDZQVDRYVBNTHY-UHFFFAOYSA-N;142.13;-0.27;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_C5";;;;;;;0.81;;-0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM434383;MM434383;CCC1CC(=CCN)CO1;ICKNZYHABJYIBG-UHFFFAOYSA-N;141.21;1.07;;;;;DOPC;MDCG;27;1;"MARTINI bead: SC5_SP1";;;;;;;0.81;;-2.72;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM434384;MM434384;C#CC1(C#N)CN1CC#N;XOSDHMDFIYRFOM-UHFFFAOYSA-N;131.14;-0.28;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP2_P3";;;;;;;-2.2;;-5.19;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM434385;MM434385;CC=C(C#CCC=O)CF;BSRHZVMEPPOBHE-UHFFFAOYSA-N;140.16;1.49;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4_Na";;;;;;;2.2;;0.34;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM434386;MM434386;C=Cc1onnc(=O)c1N;XQKNUVCFAPKURE-UHFFFAOYSA-N;139.11;-0.35;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP2_SP2";;;;;;;-1.34;;-4.31;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM434387;MM434387;CC=CC(N)CCC1CN1;PHEWURIFNJNCHM-UHFFFAOYSA-N;140.23;0.64;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_SP1";;;;;;;0.04;;-5.11;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM434388;MM434388;C#CCC1CC1C(O)CN;QYAPQEMPIMBIGT-UHFFFAOYSA-N;139.2;-0.03;;;;;DOPC;MDCG;27;1;"MARTINI bead: P3_SC4";;;;;;;0.23;;-3.18;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM434389;MM434389;CCC=C1COC(CN)C1;FESSLRGWXSDTAQ-UHFFFAOYSA-N;141.21;1.07;;;;;DOPC;MDCG;27;1;"MARTINI bead: SC5_SP1";;;;;;;0.81;;-2.55;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM434390;MM434390;C#CC1(C=C)CN1NC=N;OZHGLWHZMRJPBK-UHFFFAOYSA-N;135.17;-0.03;;;;;DOPC;MDCG;27;1;"MARTINI bead: SP1_P4";;;;;;;-2.01;;-7.72;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM434391;MM434391;CC=C(C#CCC#N)CF;HZJTZRXJPIDWPY-UHFFFAOYSA-N;137.16;1.82;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4_N0";;;;;;;2.5;;0.44;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM434392;MM434392;N#CCC1OC1C(=O)O;MKXQSWWXTRPVCO-UHFFFAOYSA-N;127.1;-0.25;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_SNa";;;;;;;0.04;;-8.13;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM434393;MM434393;CC=CC(C)NCC1CN1;ZGVOAXZZBPMWOW-UHFFFAOYSA-N;140.23;0.51;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_SP1";;;;;;;0.04;;-4.24;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM434394;MM434394;C#CCC1CC1C(O)CO;FKGVQQCPDNZTKY-UHFFFAOYSA-N;140.18;;;;;;DOPC;MDCG;27;0;"MARTINI bead: P3_SC4";;;;;;;0.23;;-1.03;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM434395;MM434395;C=CCC#CC(=CF)CF;QJAXEDCTLGGYFF-UHFFFAOYSA-N;142.15;2.39;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_C5";;;;;;;2.41;;0.64;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM434396;MM434396;C#CC1(C=C)CN1NC=O;JBLFOFAJUMXGHU-UHFFFAOYSA-N;136.15;-0.48;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP1_P4";;;;;;;-2.01;;-5.13;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM434397;MM434397;NCC=C1COC(CN)C1;ZTGQHFHJYWZSDQ-UHFFFAOYSA-N;142.2;-0.38;;;;;DOPC;MDCG;27;1;"MARTINI bead: SP1_SP1";;;;;;;-0.79;;-5.6;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM434398;MM434398;N#Cc1nnc(O)o1;DGARVQPCFFCJQF-UHFFFAOYSA-N;111.06;-0.35;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP1_SP1";;;;;;;-0.79;;-8.69;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM434399;MM434399;CC=CC(N)CCC1CO1;KHSLMIXYVWOUEW-UHFFFAOYSA-N;141.21;1.07;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_SNa";;;;;;;0.87;;-4.37;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM434400;MM434400;O=CCC#CC(=CF)CF;VYGXOYOSTJIMLU-UHFFFAOYSA-N;144.12;1.4;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_Na";;;;;;;1.64;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM434401;MM434401;C#CCC1CC1C(F)CC;JQGQYKCESUAROZ-UHFFFAOYSA-N;140.2;2.39;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4_SC4";;;;;;;3.53;;0.53;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM434402;MM434402;CCC=C1COC(CO)C1;KGXZOGDUUUDNNK-UHFFFAOYSA-N;142.2;1.1;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC5_SP1";;;;;;;0.81;;-0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM434403;MM434403;C#CC1(C=O)CN1NC=N;ZKBDQPKJGIUBHI-UHFFFAOYSA-N;137.14;-1.02;;;;;DOPC;MDCG;27;1;"MARTINI bead: P4_SP2";;;;;;;-2.29;;-8.49;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM434404;MM434404;O=c1nn[nH]n(O)c1=NO;NIXCRWKBHKRRRP-UHFFFAOYSA-N;145.08;-2.51;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP3_SP2";;;;;;;-2.2;;-9.62;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM434405;MM434405;N#CCC#CC(=CF)CF;ZOYYTAIVDBRUBM-UHFFFAOYSA-N;141.12;1.73;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_N0";;;;;;;1.94;;0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM434406;MM434406;CC=CC(O)CCC1CO1;OWKQROSQGLXGFJ-UHFFFAOYSA-N;142.2;1.1;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_SNa";;;;;;;1.64;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM434407;MM434407;NCC=C1COC(CO)C1;TYQCMUKDCGHOQC-UHFFFAOYSA-N;143.19;-0.35;;;;;DOPC;MDCG;27;1;"MARTINI bead: SP1_SP1";;;;;;;-0.79;;-5.37;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM434408;MM434408;C#CCC1CC1C(F)CN;ZOCVUMPXURYJEH-UHFFFAOYSA-N;141.19;0.94;;;;;DOPC;MDCG;27;1;"MARTINI bead: P2_SC4";;;;;;;1.09;;-1.85;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM434409;MM434409;C#CC1(C#N)CN1NC=N;ALAGEJYBMAKKHO-UHFFFAOYSA-N;134.14;-0.69;;;;;DOPC;MDCG;27;1;"MARTINI bead: P4_SP2";;;;;;;-2.29;;-8.45;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM434410;MM434410;C=Cc1onnc(=N)c1F;AVHKVJGGMNREDU-UHFFFAOYSA-N;141.11;0.33;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNa_SP2";;;;;;;-0.24;;-3.24;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM434411;MM434411;CC=CC(C)NCC1CO1;GHBBZZQBCDCXRI-UHFFFAOYSA-N;141.21;0.94;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_SNa";;;;;;;0.87;;-3.59;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM434412;MM434412;C=CCC#CC(CC)=NN;VFBIQGKGQTVCQN-UHFFFAOYSA-N;136.2;1.29;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nd_C5";;;;;;;1.64;;0.02;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM434413;MM434413;CCC=C1COC(CF)C1;CZBCLALEZRJYFR-UHFFFAOYSA-N;144.19;2.08;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC5_SNa";;;;;;;1.64;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM434414;MM434414;C#CCC1CC1C(C)OC;XZOKGJGRSKJYTI-UHFFFAOYSA-N;138.21;1.68;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_SC4";;;;;;;2.2;;0.34;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM434415;MM434415;C#CC1(C=O)CN1NC=O;ZOTJGOKZWFZEHI-UHFFFAOYSA-N;138.13;-1.47;;;;;DOPC;MDCG;27;0;"MARTINI bead: P4_SP2";;;;;;;-2.29;;-5.95;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM434416;MM434416;N=c1nnoc(C=O)c1F;NCHVVFLRAZVITD-UHFFFAOYSA-N;143.08;-0.5;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP2_SP2";;;;;;;-1.34;;-4.31;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM434417;MM434417;CC=CC(N)CCN1CC1;OQMPMIKRLUUWNW-UHFFFAOYSA-N;140.23;0.6;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_SP1";;;;;;;0.04;;-4.78;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM434418;MM434418;C=CCC#CC(CC)=NO;VIAJFMKYHDEZLV-UHFFFAOYSA-N;137.18;1.81;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda_C5";;;;;;;1.64;;0.05;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM434419;MM434419;NCC=C1COC(CF)C1;WKVVQXBZDMPXKJ-UHFFFAOYSA-N;145.18;0.63;;;;;DOPC;MDCG;27;1;"MARTINI bead: SP1_SNa";;;;;;;0.04;;-4.77;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM434420;MM434420;C#CCC1NC1C(C)CN;PNVGVYBBHFMYPO-UHFFFAOYSA-N;138.21;-0.06;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_SP1";;;;;;;0.04;;-5.1;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM434421;MM434421;C#CC1(C#N)CN1NC=O;SUKYSJHAGFCWPD-UHFFFAOYSA-N;135.13;-1.14;;;;;DOPC;MDCG;27;0;"MARTINI bead: P4_SP2";;;;;;;-2.29;;-5.95;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM434422;MM434422;N#Cc1onnc(=N)c1F;BCUUMRGQQYPSMK-UHFFFAOYSA-N;140.08;-0.44;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP1_SP2";;;;;;;-1.06;;-3.82;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM434423;MM434423;C=CCOC(CC)=NN;HHXTXAJUXCCPST-UHFFFAOYSA-N;128.18;0.87;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_C4";;;;;;;1.37;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM434424;MM434424;CCC(C#CCC=O)=NO;SJGWOZNZYUKASN-UHFFFAOYSA-N;139.15;0.82;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda_Na";;;;;;;0.87;;-1.99;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM434425;MM434425;C#CCC1NC1C(N)CN;IHAHEOWAGRFBMY-UHFFFAOYSA-N;139.2;-1.36;;;;;DOPC;MDCG;27;1;"MARTINI bead: P4_SP1";;;;;;;-2.01;;-6.94;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM434426;MM434426;CCC=C1COC(OC)C1;XVNWBNJRGDMECC-UHFFFAOYSA-N;142.2;1.72;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC5_SNa";;;;;;;1.64;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM434427;MM434427;C=Cc1onnc(=O)c1F;QVNBNBIDVUYYRH-UHFFFAOYSA-N;142.09;0.21;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNa_SP2";;;;;;;-0.24;;-3.24;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM434428;MM434428;C#CCC1CC1(C#C)C=C;DJUQLSDOGBCHMS-UHFFFAOYSA-N;130.19;1.84;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC5_N0";;;;;;;1.94;;0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM434429;MM434429;CC=CC(=O)CCC1CC1;XVGWEDNLSCWRLN-UHFFFAOYSA-N;138.21;2.32;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_SC5";;;;;;;2.41;;0.64;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM434430;MM434430;C=CCC#CC(CF)=NN;VAQGLHSXYYLMCR-UHFFFAOYSA-N;140.16;0.85;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_C5";;;;;;;0.81;;-0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM434431;MM434431;COC1CC(=CCN)CO1;RHTXXRHSZFDXRD-UHFFFAOYSA-N;143.19;0.26;;;;;DOPC;MDCG;27;1;"MARTINI bead: SNa_SP1";;;;;;;0.04;;-4.77;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM434432;MM434432;C#CCC1NC1C(N)CO;QXLYLPBOBKHFSR-UHFFFAOYSA-N;140.19;-1.33;;;;;DOPC;MDCG;27;1;"MARTINI bead: P3_SP1";;;;;;;-1.93;;-6.33;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM434433;MM434433;C#CCC1CC1(C#C)C#N;LHGMWQXYGFACNW-UHFFFAOYSA-N;129.16;1.17;;;;;DOPC;MDCG;27;0;"MARTINI bead: N0_SN0";;;;;;;1.47;;-0.05;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM434434;MM434434;O=Cc1onnc(=O)c1F;OPXSCZMEQVVUDH-UHFFFAOYSA-N;144.06;-0.62;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP2_SP2";;;;;;;-1.34;;-4.31;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM434435;MM434435;N=CNc1cc(O)on1;QWPFPALJIOGOHU-UHFFFAOYSA-N;127.1;0.4;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNda_SP1";;;;;;;0.04;;-7.48;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM434436;MM434436;CCN=C1CC(CC)CN1;NSKYQCKXRSVUTH-UHFFFAOYSA-N;140.23;1.42;;;;;DOPC;MDCG;27;1;"MARTINI bead: SC5_SN0";;;;;;;1.94;;-2.85;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM434437;MM434437;NC=CC(=O)CCC1CC1;SMNDUBODVWXTPV-UHFFFAOYSA-N;139.2;1.22;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_SC5";;;;;;;0.54;;-1.09;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM434438;MM434438;C#CC#CCNN=CCF;MMDMJPWRZPSJKZ-UHFFFAOYSA-N;138.15;0.17;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_C4";;;;;;;1.37;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM434439;MM434439;C#CCC1NC1(C#C)C=C;SOAVKWBDWUWGAK-UHFFFAOYSA-N;131.18;0.54;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP1_N0";;;;;;;0.34;;-1.53;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM434440;MM434440;N#Cc1onnc(=O)c1F;CXCZSTKTRKSFOB-UHFFFAOYSA-N;141.06;-0.56;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP1_SP2";;;;;;;-1.06;;-3.82;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM434441;MM434441;CCN=C1CC(CN)CN1;ZTWBFXFOYCBDRP-UHFFFAOYSA-N;141.22;-0.03;;;;;DOPC;MDCG;27;1;"MARTINI bead: SC5_SP2";;;;;;;0.54;;-5.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM434442;MM434442;CN=C(C#CCC#N)NC;HXDRSELKYZKBHL-UHFFFAOYSA-N;135.17;0.15;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1_N0";;;;;;;0.34;;-3.83;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM434443;MM434443;CC=CC(=N)NCC1CC1;ZWWKVBZRTYGZLA-UHFFFAOYSA-N;138.21;1.54;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_SC5";;;;;;;1.64;;-4.67;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM434444;MM434444;C#CCC1NC1C(F)CN;IJJIMWHWRZLBBJ-UHFFFAOYSA-N;142.18;-0.35;;;;;DOPC;MDCG;27;1;"MARTINI bead: P2_SP1";;;;;;;-1.06;;-4.98;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM434445;MM434445;C#CCC1NC1(C#C)C=O;HTBFMQJHNGVDJP-UHFFFAOYSA-N;133.15;-0.45;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP2_N0";;;;;;;0.06;;-2.21;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM434446;MM434446;C#Cc1onnc(=N)c1N;ZGTNFBODJJQRAE-UHFFFAOYSA-N;136.11;-0.89;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP2_SP2";;;;;;;-1.34;;-4.31;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM434447;MM434447;CCN=C1CC(CO)CN1;PJAGLCGKEZSEFF-UHFFFAOYSA-N;142.2;0.01;;;;;DOPC;MDCG;27;1;"MARTINI bead: SC5_SP1";;;;;;;0.81;;-4.45;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM434448;MM434448;N#CC(CCF)NCC=O;SCXMXRSIMHTGJF-UHFFFAOYSA-N;144.15;0.03;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_Na";;;;;;;-0.24;;-3.24;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM434449;MM434449;C=C(C=CC)CNC1CC1;YQAOMYZHNHYPJZ-UHFFFAOYSA-N;137.23;1.87;;;;;DOPC;MDCG;27;1;"MARTINI bead: C1_SP1";;;;;;;2.08;;-0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM434450;MM434450;C#CCC1NC1C(C)NC;BUSMZLQSUKUMHA-UHFFFAOYSA-N;138.21;-0.04;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_SP1";;;;;;;0.04;;-4.82;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM434451;MM434451;C#CCC1NC1(C#C)C#N;RGYKPYYCZRJLCJ-UHFFFAOYSA-N;130.15;-0.12;;;;;DOPC;MDCG;27;0;"MARTINI bead: N0_SP2";;;;;;;0.06;;-2.21;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM434452;MM434452;C#Cc1onnc(=O)c1N;AKMVTTNFDOFHJE-UHFFFAOYSA-N;137.1;-1.01;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP2_SP2";;;;;;;-1.34;;-4.31;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM434453;MM434453;CCN=C1CC(CF)CN1;WJIQYAYHWTXINV-UHFFFAOYSA-N;144.19;0.98;;;;;DOPC;MDCG;27;1;"MARTINI bead: SC5_SNa";;;;;;;1.64;;-3.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM434454;MM434454;O=CCC#CC(=NO)NO;IFJIJMGYMCAUDW-UHFFFAOYSA-N;142.11;-0.65;;;;;DOPC;MDCG;27;0;"MARTINI bead: P4_Na";;;;;;;-1.19;;-4.76;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM434455;MM434455;C=C(C=CC)COC1CC1;WGVWWTBHJMHZGF-UHFFFAOYSA-N;138.21;2.3;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1_SP1";;;;;;;2.08;;0.48;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM434456;MM434456;C#CCC1OC1C(C)CC;PJHHCMMOEFWPOM-UHFFFAOYSA-N;138.21;1.82;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1_SNa";;;;;;;2.91;;0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM434457;MM434457;C#Cc1nonc1O;OKJQWJLRSULUFQ-UHFFFAOYSA-N;110.07;-0.24;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP1_SNa";;;;;;;0.04;;-8.14;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM434458;MM434458;C#CCC1OC1(C#C)C=C;UZFNYRFBZQCMCL-UHFFFAOYSA-N;132.16;0.97;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNa_N0";;;;;;;1.17;;-1.18;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM434459;MM434459;C=CCC#CC(=CC)OC;HOALRQWZSDTOOX-UHFFFAOYSA-N;136.19;2.12;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_C5";;;;;;;2.41;;0.64;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM434460;MM434460;CCN=C1CC(OC)CN1;BXEBPFQDLGIVMC-UHFFFAOYSA-N;142.2;0.41;;;;;DOPC;MDCG;27;1;"MARTINI bead: SC5_SP1";;;;;;;0.81;;-3.45;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM434461;MM434461;C=C(C=CC)CCC1CO1;WHONENFLHXPZJL-UHFFFAOYSA-N;138.21;2.3;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1_SNa";;;;;;;2.91;;0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM434462;MM434462;C#CCC1OC1C(C)CN;CWHQULJABZMTHB-UHFFFAOYSA-N;139.2;0.37;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_SNa";;;;;;;0.87;;-4.62;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM434463;MM434463;C=Cn1nnc(O)n1;UCGDJKCWKLRRGG-UHFFFAOYSA-N;112.09;-0.52;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP1_SP1";;;;;;;-0.79;;-8.7;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM434464;MM434464;C#CCC1OC1(C#C)C#N;GMFIUPFQYKZCPK-UHFFFAOYSA-N;131.13;0.3;;;;;DOPC;MDCG;27;0;"MARTINI bead: N0_SP1";;;;;;;0.34;;-1.53;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM434465;MM434465;CC=C(C#CCC=O)OC;XHHZHYMAGSJRDR-UHFFFAOYSA-N;138.17;1.13;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_Na";;;;;;;1.64;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM434466;MM434466;CCC=C1CC(CC)CO1;VFLXTNLGDRKDIO-UHFFFAOYSA-N;140.23;2.73;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC5_SC5";;;;;;;2.41;;0.64;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM434467;MM434467;CC=CC(=N)NCC1CO1;ZQYQNAQQWYJTEU-UHFFFAOYSA-N;140.19;0.53;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_SNa";;;;;;;0.87;;-6.07;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM434468;MM434468;C#CCC1OC1C(C)CO;TWESRDVJCBONRU-UHFFFAOYSA-N;140.18;0.41;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda_SNa";;;;;;;0.87;;-1.99;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM434469;MM434469;C#Cc1onnc(=N)c1F;USAPISNHIFYJRT-UHFFFAOYSA-N;139.09;-0.33;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP1_SP2";;;;;;;-1.06;;-3.82;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM434470;MM434470;C#CCN1CC1(C#C)C=C;OGSFJFZGISMLQU-UHFFFAOYSA-N;131.18;0.49;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP1_P2";;;;;;;-1.06;;-3.82;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM434471;MM434471;CC=C(C#CCC#N)OC;QCOVEDSFFVWPPI-UHFFFAOYSA-N;135.17;1.45;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_N0";;;;;;;1.94;;0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM434472;MM434472;CCC=C1CC(OC)CO1;GMRQDRJCNMQCLV-UHFFFAOYSA-N;142.2;1.72;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC5_SNa";;;;;;;1.64;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM434473;MM434473;CC#CC(C)CCC1CC1;PEYNQVPPLMUNTO-UHFFFAOYSA-N;136.24;2.84;;;;;DOPC;MDCG;27;0;"MARTINI bead: C2_SC5";;;;;;;3.6;;0.34;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM434474;MM434474;C#CCC1OC1C(C)CF;RGMFZSQEKHUAGS-UHFFFAOYSA-N;142.17;1.38;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4_SNa";;;;;;;2.2;;0.34;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM434475;MM434475;C#CCN1CC1(C#C)C#N;NIEJDQINNSRLAU-UHFFFAOYSA-N;130.15;-0.17;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_SP2";;;;;;;-1.34;;-4.31;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM434476;MM434476;C#Cc1onnc(=O)c1F;MYAPRASEVWATCF-UHFFFAOYSA-N;140.07;-0.45;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP1_SP2";;;;;;;-1.06;;-3.82;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM434477;MM434477;C=CCC#CC(=CF)OC;VUYRRRBWVYTBHD-UHFFFAOYSA-N;140.16;2.02;;;;;DOPC;MDCG;27;0;"MARTINI bead: N0_C5";;;;;;;1.94;;0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM434478;MM434478;CCN=C1CCC(CC)N1;WGRFXYCMITYZPR-UHFFFAOYSA-N;140.23;1.57;;;;;DOPC;MDCG;27;1;"MARTINI bead: SC5_SN0";;;;;;;1.94;;-2.67;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM434479;MM434479;CC#CC(C)CNC1CC1;NXJQUJTXYZCIHO-UHFFFAOYSA-N;137.23;1.4;;;;;DOPC;MDCG;27;1;"MARTINI bead: C2_SP1";;;;;;;2;;-1.09;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM434480;MM434480;C#CCC1OC1C(N)CN;MXZPSTZVUUHGKH-UHFFFAOYSA-N;140.19;-0.94;;;;;DOPC;MDCG;27;1;"MARTINI bead: P4_SNa";;;;;;;-1.19;;-6.74;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM434481;MM434481;C#CC1(C#C)CC1CCC;HQYSLVITCRXGBG-UHFFFAOYSA-N;132.21;2.06;;;;;DOPC;MDCG;27;0;"MARTINI bead: C3_SN0";;;;;;;2.87;;0.37;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM434482;MM434482;CCc1nnoc(=O)c1C;FSVXCZMHVCGCOL-UHFFFAOYSA-N;140.14;0.3;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNa_SP1";;;;;;;0.04;;-2.54;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM434483;MM434483;COC(C#CCC=O)=CF;QUEGDAGEKHLADW-UHFFFAOYSA-N;142.13;1.04;;;;;DOPC;MDCG;27;0;"MARTINI bead: N0_Na";;;;;;;1.17;;-1.18;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM434484;MM434484;CCN=C1CCC(CN)N1;SCDSCBBLQPCALP-UHFFFAOYSA-N;141.22;0.12;;;;;DOPC;MDCG;27;1;"MARTINI bead: SC5_SP1";;;;;;;0.81;;-4.09;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM434485;MM434485;CC#CC(C)COC1CC1;SGASPRJSVYYDOF-UHFFFAOYSA-N;138.21;1.82;;;;;DOPC;MDCG;27;0;"MARTINI bead: C2_SP1";;;;;;;2;;0.29;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM434486;MM434486;C#CCC1OC1C(N)CO;LHBOSNNZWFUHDY-UHFFFAOYSA-N;141.17;-0.9;;;;;DOPC;MDCG;27;1;"MARTINI bead: P3_SNa";;;;;;;-1.1;;-5.88;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM434487;MM434487;Cc1c(CO)nnoc1=O;DMDOLGFEGOSJCM-UHFFFAOYSA-N;142.11;-0.77;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP2_SP1";;;;;;;-1.06;;-3.82;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM434488;MM434488;C#CC1(C#C)CC1CCN;ZVYGCJFODGINNC-UHFFFAOYSA-N;133.19;0.61;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1_SN0";;;;;;;0.34;;-4.31;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM434489;MM434489;COC(C#CCC#N)=CF;IKLCYHSYMFTBBA-UHFFFAOYSA-N;139.13;1.36;;;;;DOPC;MDCG;27;0;"MARTINI bead: N0_N0";;;;;;;1.47;;-0.05;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM434490;MM434490;CCN=C1CCC(CO)N1;MOZMIUWOCYGKMM-UHFFFAOYSA-N;142.2;0.15;;;;;DOPC;MDCG;27;1;"MARTINI bead: SC5_SP1";;;;;;;0.81;;-3.83;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM434491;MM434491;CC#CC(N)CCC1CN1;JUNCPHJWEMCYII-UHFFFAOYSA-N;138.21;0.09;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_SP1";;;;;;;0.04;;-4.43;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM434492;MM434492;Cc1c(CF)nnoc1=O;PYEXWPNIQKKRPO-UHFFFAOYSA-N;144.11;0.21;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP1_SP1";;;;;;;-0.79;;-3.13;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM434493;MM434493;C#CCC1OC1C(O)CC;CHPGARIXXSYYKE-UHFFFAOYSA-N;140.18;0.55;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda_SNa";;;;;;;0.87;;-1.99;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM434494;MM434494;C=Cc1nc(=O)onc1N;BZFMIPAQBDDESF-UHFFFAOYSA-N;139.11;-0.35;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP3_SP2";;;;;;;-2.2;;-5.19;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM434495;MM434495;CNN=CC(=NOC)NN;VZNIPMBVNJFEMA-UHFFFAOYSA-N;145.17;-1.39;;;;;DOPC;MDCG;27;0;"MARTINI bead: P3_Nda";;;;;;;-1.1;;-3.97;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM434496;MM434496;CCN=C1CCC(CF)N1;ZWEBFYZZUXBPCV-UHFFFAOYSA-N;144.19;1.13;;;;;DOPC;MDCG;27;1;"MARTINI bead: SC5_SNa";;;;;;;1.64;;-3.17;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM434497;MM434497;CC#CC(C)NCC1CN1;DHBBKXXGLCLMPV-UHFFFAOYSA-N;138.21;-0.04;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_SP1";;;;;;;0.04;;-3.67;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM434498;MM434498;CCc1nnoc(=O)c1N;SGOWNGDUBGXIGC-UHFFFAOYSA-N;141.13;-0.43;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNa_SP3";;;;;;;-1.1;;-4.2;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM434499;MM434499;C#CC1(C#C)CC1CCF;OJLUDNLXWINVMR-UHFFFAOYSA-N;136.17;1.62;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_SN0";;;;;;;1.94;;0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM434500;MM434500;C#CCC1OC1C(O)CN;OYBPYAWVNKEOBW-UHFFFAOYSA-N;141.17;-0.9;;;;;DOPC;MDCG;27;1;"MARTINI bead: P3_SNa";;;;;;;-1.1;;-6.28;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM434501;MM434501;C#CCC#CC(=CC)CC;UIHUGIATDSLXLC-UHFFFAOYSA-N;132.21;2.37;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1_N0";;;;;;;3.21;;0.46;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM434502;MM434502;CCC=C1CCC(CC)O1;CZWLYUVUOBOSLW-UHFFFAOYSA-N;140.23;2.87;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC5_SC5";;;;;;;2.41;;0.64;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM434503;MM434503;CC#CC(N)CCC1CO1;DTVJQUKBEFDDKD-UHFFFAOYSA-N;139.2;0.52;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_SNa";;;;;;;0.87;;-3.65;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM434504;MM434504;Nc1c(CO)nnoc1=O;YXXYZRYOHVVCQX-UHFFFAOYSA-N;143.1;-1.5;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP2_SP3";;;;;;;-2.2;;-5.19;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM434505;MM434505;C#CC1(C#C)CC1CNC;BDDJQWULJGNPPZ-UHFFFAOYSA-N;133.19;0.48;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1_SN0";;;;;;;0.34;;-4.58;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM434506;MM434506;C#CCC1OC1C(O)CO;NQLWIARLKSTXFI-UHFFFAOYSA-N;142.15;-0.87;;;;;DOPC;MDCG;27;0;"MARTINI bead: P3_SNa";;;;;;;-1.1;;-4.2;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM434507;MM434507;C#CCC#CC(=CF)CC;MXQGSUQTGCUOGJ-UHFFFAOYSA-N;136.17;2.28;;;;;DOPC;MDCG;27;0;"MARTINI bead: C3_N0";;;;;;;2.87;;0.37;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM434508;MM434508;CC#CC(C)NCC1CO1;PYGTZORRJMOGLH-UHFFFAOYSA-N;139.2;0.39;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_SNa";;;;;;;0.87;;-3.02;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM434509;MM434509;NCC=C1CCC(CN)O1;LLABEAHMYOYUTI-UHFFFAOYSA-N;142.2;-0.03;;;;;DOPC;MDCG;27;1;"MARTINI bead: SP1_SP1";;;;;;;-0.79;;-5.56;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM434510;MM434510;Nc1c(CF)nnoc1=O;RTURXSIFOGWYRK-UHFFFAOYSA-N;145.09;-0.52;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP1_SP3";;;;;;;-1.93;;-4.72;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM434511;MM434511;C#CCC1OC1C(F)CC;LTORMLHFVYGTOJ-UHFFFAOYSA-N;142.17;1.53;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4_SNa";;;;;;;2.2;;0.34;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM434512;MM434512;C#CC1(C#C)CC1COC;VDSGKTHWSTZRQT-UHFFFAOYSA-N;134.18;0.91;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_SN0";;;;;;;0.34;;-1.53;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM434513;MM434513;C#CCC#CC(=CC)CN;VTIBEWFNIWCCIP-UHFFFAOYSA-N;133.19;0.92;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_N0";;;;;;;1.17;;-2.8;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM434514;MM434514;C=C(C#CC)CCC1CC1;HEXVAKCZOWFUMT-UHFFFAOYSA-N;134.22;2.76;;;;;DOPC;MDCG;27;0;"MARTINI bead: C3_SC5";;;;;;;3.34;;0.48;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM434515;MM434515;CCc1nnoc(=O)c1F;KHUIWQXEIDOQNZ-UHFFFAOYSA-N;144.11;0.13;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNa_SP2";;;;;;;-0.24;;-3.24;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM434516;MM434516;CCC=C1CCC(CO)O1;RJFOEZBINDSUGB-UHFFFAOYSA-N;142.2;1.45;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC5_SP1";;;;;;;0.81;;-0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM434517;MM434517;C#CC1(C#C)CC1NCC;LNNUGXMYWLMNSQ-UHFFFAOYSA-N;133.19;0.62;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_SN0";;;;;;;1.17;;-2.85;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM434518;MM434518;C#CCC1OC1C(F)CN;HCJQPSHTRRGJHX-UHFFFAOYSA-N;143.16;0.07;;;;;DOPC;MDCG;27;1;"MARTINI bead: P2_SNa";;;;;;;-0.24;;-4.66;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM434519;MM434519;C#CCC#CC(=CF)CN;LKIDHMOSPMRVFH-UHFFFAOYSA-N;137.16;0.83;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1_C5";;;;;;;0.81;;-2.13;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM434520;MM434520;CC#CC(=O)CCC1CC1;YBRMWFYZSWVHTI-UHFFFAOYSA-N;136.19;1.77;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_SC5";;;;;;;1.64;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM434521;MM434521;O=c1onnc(CO)c1F;WQIJRQTWVPEZKD-UHFFFAOYSA-N;146.08;-0.94;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP2_SP2";;;;;;;-1.34;;-4.31;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM434522;MM434522;CCC=C1CCC(OC)O1;PTNFZUXGMZKDOD-UHFFFAOYSA-N;142.2;2.06;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC5_SNa";;;;;;;1.64;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM434523;MM434523;C#CC1(C#C)CC1OCC;CVYUGXVCCUAZQO-UHFFFAOYSA-N;134.18;1.05;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_SN0";;;;;;;1.17;;-1.18;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM434524;MM434524;C#CCC1OC1C(C)OC;HPOUGFGGYJDTLL-UHFFFAOYSA-N;140.18;0.81;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_SNa";;;;;;;0.87;;-2.22;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM434525;MM434525;C=C(C#CC)CNC1CC1;RNMYXGWOQSSDFG-UHFFFAOYSA-N;135.21;1.32;;;;;DOPC;MDCG;27;1;"MARTINI bead: C3_SP1";;;;;;;1.74;;-0.86;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM434526;MM434526;C#CCC#CC(=CC)CO;NBTNIEBJAFCBQC-UHFFFAOYSA-N;134.18;0.95;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda_N0";;;;;;;1.17;;-1.13;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM434527;MM434527;C#CC1(C#C)NC1CCC;QOVHMMIBNUNDCC-UHFFFAOYSA-N;133.19;0.76;;;;;DOPC;MDCG;27;0;"MARTINI bead: C3_SP1";;;;;;;1.74;;0.29;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM434528;MM434528;CCC=C1COC(CC)O1;WPXXNPHJFWPROJ-UHFFFAOYSA-N;142.2;2.06;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNa_SNa";;;;;;;0.87;;-2.22;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM434529;MM434529;O=c1onnc(CF)c1F;HPDCGOUFRQNDNA-UHFFFAOYSA-N;148.07;0.04;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP1_SP2";;;;;;;-1.06;;-3.82;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM434530;MM434530;C#CCN1CC1C(C)CC;YNBDFQWNPFYLLD-UHFFFAOYSA-N;137.23;1.35;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1_SNd";;;;;;;2.91;;0.67;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM434531;MM434531;C#CCC#CC(=CF)CO;MZTMNVGBRWOIRB-UHFFFAOYSA-N;138.14;0.86;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda_N0";;;;;;;1.17;;-1.13;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM434532;MM434532;CC#CC(=N)NNC1CC1;PNYJYBNXXTYIQS-UHFFFAOYSA-N;137.19;0.24;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1_SP1";;;;;;;-0.79;;-4.65;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM434533;MM434533;C#CC1(C#C)NC1CCN;XAEGQULKADDXEW-UHFFFAOYSA-N;134.18;-0.69;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1_SP1";;;;;;;-0.79;;-5.59;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM434534;MM434534;C=NNC=NC=CC=CC;AYZXLWZJVHQFEK-UHFFFAOYSA-N;137.19;1.31;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1_P2";;;;;;;1.8;;0.41;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM434535;MM434535;CCC=C1COC(CN)O1;CNQVLVFCOMFGSG-UHFFFAOYSA-N;143.19;0.61;;;;;DOPC;MDCG;27;1;"MARTINI bead: SNa_SP2";;;;;;;-0.24;;-4.55;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM434536;MM434536;CNc1nnoc(=O)c1C;CSKHPTQPAQRCBJ-UHFFFAOYSA-N;141.13;-0.22;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP2_SP1";;;;;;;-1.06;;-3.82;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM434537;MM434537;C=C(C#CC)COC1CC1;IKTBNYKRAFVZSL-UHFFFAOYSA-N;136.19;1.74;;;;;DOPC;MDCG;27;0;"MARTINI bead: C3_SP1";;;;;;;1.74;;0.29;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM434538;MM434538;C#CCC#CC(=CC)CF;CLQSDTJRQVFWBC-UHFFFAOYSA-N;136.17;1.93;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4_N0";;;;;;;2.5;;0.44;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM434539;MM434539;C=CC(C#N)=NNCCC;RPUOSYRKQBVEAC-UHFFFAOYSA-N;137.19;1.05;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nd_N0";;;;;;;1.17;;-1.04;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM434540;MM434540;CCC=C1COC(CO)O1;BIGKWYVNSFOYSG-UHFFFAOYSA-N;144.17;0.65;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNa_SP2";;;;;;;-0.24;;-3.24;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM434541;MM434541;C#CCN1CC1C(N)CN;KTVPFFYXCLYXRO-UHFFFAOYSA-N;139.2;-1.41;;;;;DOPC;MDCG;27;1;"MARTINI bead: P4_SNd";;;;;;;-1.19;;-6.69;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM434542;MM434542;CNc1nnoc(=O)c1N;NVHOMVIKWKRPNM-UHFFFAOYSA-N;142.12;-0.95;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP2_SP3";;;;;;;-2.2;;-5.19;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM434543;MM434543;C=C(C#CC)CCC1CO1;ILWQUNHQDZHXPZ-UHFFFAOYSA-N;136.19;1.74;;;;;DOPC;MDCG;27;0;"MARTINI bead: C3_SNa";;;;;;;2.57;;0.45;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM434544;MM434544;C#CCC#CC(=CF)CF;SWVGNFZNBLMJNK-UHFFFAOYSA-N;140.13;1.84;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_N0";;;;;;;1.94;;0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM434545;MM434545;CNc1nnoc(=O)c1F;JFMKQUISJYRENZ-UHFFFAOYSA-N;145.09;-0.39;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP2_SP2";;;;;;;-1.34;;-4.31;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM434546;MM434546;C#CCN1CC1C(N)CO;PEHXVFPOPDCREJ-UHFFFAOYSA-N;140.19;-1.38;;;;;DOPC;MDCG;27;1;"MARTINI bead: P3_SNd";;;;;;;-1.1;;-5.55;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM434547;MM434547;C#CC1(C#C)NC1CCF;WWULLZBAWBNCIJ-UHFFFAOYSA-N;137.16;0.32;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_SP1";;;;;;;0.81;;-0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM434548;MM434548;CCC=C1COC(CF)O1;BFVGEQZENLASNO-UHFFFAOYSA-N;146.16;1.62;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNa_SP1";;;;;;;0.04;;-2.54;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM434549;MM434549;C#CCC#CC(CC)=NN;KPCVWPIYFAOPQF-UHFFFAOYSA-N;134.18;0.74;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nd_N0";;;;;;;1.17;;-1.04;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM434550;MM434550;CC#CC(=O)CCC1CO1;NTGUNVWJUGOATR-UHFFFAOYSA-N;138.17;0.76;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_SNa";;;;;;;0.87;;-2.22;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM434551;MM434551;COc1nnoc(=O)c1C;ZMOPPDPFCREMFV-UHFFFAOYSA-N;142.11;-0.25;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP1_SP1";;;;;;;-0.79;;-3.13;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM434552;MM434552;C=NNCC=NNC=NC;JWBQPTKIZVSBSF-UHFFFAOYSA-N;141.18;-0.57;;;;;DOPC;MDCG;27;0;"MARTINI bead: N0_P1";;;;;;;0.34;;-1.53;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM434553;MM434553;C#CC1(C#C)NC1CNC;UBMAVFQSVOARAY-UHFFFAOYSA-N;134.18;-0.82;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1_SP1";;;;;;;-0.79;;-5.12;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM434554;MM434554;CCC=C1CCN(CC)C1;WOZBVWKEQVWAQW-UHFFFAOYSA-N;139.24;2.05;;;;;DOPC;MDCG;27;1;"MARTINI bead: SN0_SNd";;;;;;;1.17;;-2.91;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM434555;MM434555;C#CCC#CC(CC)=NO;UNEQTAOCYUIWHV-UHFFFAOYSA-N;135.17;1.25;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda_N0";;;;;;;1.17;;-1.13;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM434556;MM434556;C#CCCC(=NN)OC;VINHBUKPAXZVSX-UHFFFAOYSA-N;126.16;0.32;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_C5";;;;;;;0.81;;-0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM434557;MM434557;COc1nnoc(=O)c1N;YBJOMXWYCIIUFV-UHFFFAOYSA-N;143.1;-0.98;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP1_SP3";;;;;;;-1.93;;-4.72;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM434558;MM434558;C#CCN1CC1C(C)NC;IVSUVLZGVFNQGZ-UHFFFAOYSA-N;138.21;-0.09;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_SNd";;;;;;;0.87;;-4.71;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM434559;MM434559;C#CC1(C#C)NC1COC;ZLEYPLPYLMNDEJ-UHFFFAOYSA-N;135.17;-0.39;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_SP1";;;;;;;-0.79;;-3.13;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM434560;MM434560;CCN1CCC(=CCN)C1;KMFSLNBRJNDCKD-UHFFFAOYSA-N;140.23;0.6;;;;;DOPC;MDCG;27;1;"MARTINI bead: SNd_SP2";;;;;;;-0.24;;-5.53;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM434561;MM434561;CCC=C(C)CCC1CC1;BRDUCJUNVWIGHQ-UHFFFAOYSA-N;138.25;3.53;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1_SC5";;;;;;;3.68;;0.46;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM434562;MM434562;C#CCC#CC(=NC)NC;INDGMLMOMNMCOD-UHFFFAOYSA-N;134.18;0.26;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_C5";;;;;;;1.64;;-2.24;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM434563;MM434563;COc1nnoc(=O)c1F;RZFHZCBCWQOQSC-UHFFFAOYSA-N;146.08;-0.42;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP1_SP2";;;;;;;-1.06;;-3.82;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM434564;MM434564;C#CCN1CC1C(C)OC;VRCNRHGPUCCILV-UHFFFAOYSA-N;139.2;0.34;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_SNd";;;;;;;0.87;;-1.88;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM434565;MM434565;C#CC1(C#C)OC1CCC;WNANCBVBVDRWCY-UHFFFAOYSA-N;134.18;1.19;;;;;DOPC;MDCG;27;0;"MARTINI bead: C3_SNa";;;;;;;2.57;;0.45;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM434566;MM434566;C=CC=C1CCC(CC)C1;LXIYUCAOYRWQKV-UHFFFAOYSA-N;136.24;3.31;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC1_SC2";;;;;;;4.87;;0.53;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM434567;MM434567;CC(=CCN)CCC1CC1;KUHZPPRVCQQJCX-UHFFFAOYSA-N;139.24;2.08;;;;;DOPC;MDCG;27;1;"MARTINI bead: C5_SC5";;;;;;;2.41;;0.01;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM434568;MM434568;CCNN=C(OC)OCC;DEFZJSXOLWCUPC-UHFFFAOYSA-N;146.19;0.55;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_C5";;;;;;;0.81;;-0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM434569;MM434569;C#CC1(C#C)OC1CCN;KHAFTNZKDVGTLG-UHFFFAOYSA-N;135.17;-0.26;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1_SNa";;;;;;;0.04;;-5.24;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM434570;MM434570;C=Cc1nnoc(=O)c1C;WFVSQJZLXFCJRX-UHFFFAOYSA-N;138.13;0.38;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNa_SP1";;;;;;;0.04;;-2.54;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM434571;MM434571;C#CCC1CN1C(C)CF;LHOULBQHHQSEBQ-UHFFFAOYSA-N;141.19;1.05;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_SP1";;;;;;;-0.79;;-3.13;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM434572;MM434572;CCC1CCC(=CC=O)C1;HLODNIKPAYDAMV-UHFFFAOYSA-N;138.21;2.32;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC1_SC5";;;;;;;3.68;;0.46;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM434573;MM434573;CCN=C(C)NCC1CC1;SRODIHXMCPHVMK-UHFFFAOYSA-N;140.23;1.42;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_SC5";;;;;;;1.64;;-4.17;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM434574;MM434574;C#CCC#CC(=NO)NO;QUFRLOPAUHWUPD-UHFFFAOYSA-N;138.13;-0.22;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_C5";;;;;;;0.54;;-1.09;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM434575;MM434575;C#CC1(C#C)OC1CCO;RNBNYJOZCXCQGP-UHFFFAOYSA-N;136.15;-0.23;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_SNa";;;;;;;0.04;;-2.54;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM434576;MM434576;Cc1c(C=O)nnoc1=O;TXJZPPNOMUHDQY-UHFFFAOYSA-N;140.1;-0.45;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP2_SP1";;;;;;;-1.06;;-3.82;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM434577;MM434577;C=CC(C)C1CC1CCC;KBKYHRNFFSAJRS-UHFFFAOYSA-N;138.25;3.24;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC2_C3";;;;;;;4.53;;0.32;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM434578;MM434578;CCC1CCC(=CC#N)C1;PPPKXOPTYVHMGU-UHFFFAOYSA-N;135.21;2.65;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC1_SC5";;;;;;;3.68;;0.46;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM434579;MM434579;CCC=C(C)OCC1CC1;AVNGOXZHJIOCQT-UHFFFAOYSA-N;140.23;2.73;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_SC5";;;;;;;2.41;;0.64;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM434580;MM434580;C#CC1(C#C)OC1CCF;DBWSLPOIUBAIMP-UHFFFAOYSA-N;138.14;0.75;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_SNa";;;;;;;1.64;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM434581;MM434581;C#CCC#CC(=CC)OC;UTUDQJCXMWXCTK-UHFFFAOYSA-N;134.18;1.56;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_N0";;;;;;;1.94;;0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM434582;MM434582;Cc1c(C#N)nnoc1=O;FODXAXAEYKEZPS-UHFFFAOYSA-N;137.1;-0.39;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP1_SP1";;;;;;;-0.79;;-3.13;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM434583;MM434583;C=CC(C)C1CC1CCN;MEEVWHYFBPYFBP-UHFFFAOYSA-N;139.24;1.79;;;;;DOPC;MDCG;27;1;"MARTINI bead: C3_SNd";;;;;;;2.57;;-1.51;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM434584;MM434584;C=CC=C1CCC(CN)C1;FGYGXNVCBWRNFH-UHFFFAOYSA-N;137.23;1.86;;;;;DOPC;MDCG;27;1;"MARTINI bead: SC5_SC2";;;;;;;3.6;;0.55;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM434585;MM434585;CC(=CCN)CNC1CC1;DBCTXFRFYLZKLU-UHFFFAOYSA-N;140.23;0.64;;;;;DOPC;MDCG;27;1;"MARTINI bead: C5_SP1";;;;;;;0.81;;-3;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM434586;MM434586;C#CC1(C#C)OC1CNC;AYOWVRLRHJXVFQ-UHFFFAOYSA-N;135.17;-0.39;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1_SNa";;;;;;;0.04;;-4.59;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM434587;MM434587;C#CCC#CC(=CF)OC;JIPVZMWYHULBJC-UHFFFAOYSA-N;138.14;1.47;;;;;DOPC;MDCG;27;0;"MARTINI bead: N0_N0";;;;;;;1.47;;-0.05;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM434588;MM434588;C=CC=NNC=NC=CF;JEYGQYPZILJVCT-UHFFFAOYSA-N;141.15;1.22;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_Nd";;;;;;;0.87;;-1.88;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM434589;MM434589;C=Cc1nnoc(=O)c1N;PCRCXCRIAHUYAL-UHFFFAOYSA-N;139.11;-0.35;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNa_SP3";;;;;;;-1.1;;-4.2;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM434590;MM434590;CC=NN=C(NC)OC;KMEOSELYOWVQLH-UHFFFAOYSA-N;129.16;0.21;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_C5";;;;;;;0.54;;-1.09;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM434591;MM434591;CCN=C(C)NNC1CC1;UFCZLZAYBQNGBV-UHFFFAOYSA-N;141.22;0.68;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_SP1";;;;;;;0.04;;-5.44;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM434592;MM434592;C=CC(C#CCCC)=CC;JXVXWSIKASGMCI-UHFFFAOYSA-N;134.22;2.92;;;;;DOPC;MDCG;27;0;"MARTINI bead: C3_C1";;;;;;;4.61;;0.31;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM434593;MM434593;C#CC1(C#C)OC1COC;KHIBTGSUEGSNQW-UHFFFAOYSA-N;136.15;0.04;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_SNa";;;;;;;0.04;;-2.54;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM434594;MM434594;CCCC1CC1C(C)C=O;XMXYWVSEZRXBBC-UHFFFAOYSA-N;140.23;2.26;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC2_Na";;;;;;;2.83;;0.35;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM434595;MM434595;N#Cc1nnoc(=O)c1N;FNSDSAIJZDKFHN-UHFFFAOYSA-N;138.09;-1.12;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP1_SP3";;;;;;;-1.93;;-4.72;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM434596;MM434596;N#CC1=NCC(C#N)N1;XXSUSDLWNYCPCB-UHFFFAOYSA-N;120.12;-0.6;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP1_SP1";;;;;;;-0.79;;-3.13;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM434597;MM434597;CCC=C(C)COC1CC1;SLPPJHDZUDMBFG-UHFFFAOYSA-N;140.23;2.52;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1_SP1";;;;;;;2.08;;0.48;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM434598;MM434598;C=CC(C#CCCO)=CC;GOZULIXBNOPGLB-UHFFFAOYSA-N;136.19;1.5;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1_Nda";;;;;;;2.91;;0.57;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM434599;MM434599;C#CC1(C#C)CN1CCC;QKWWSLZSTPLGKY-UHFFFAOYSA-N;133.19;0.72;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nd_SP1";;;;;;;0.04;;-2.63;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM434600;MM434600;CCCC1CC1C(C)C#N;QBWOVUJFNNKESG-UHFFFAOYSA-N;137.23;2.58;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC2_P1";;;;;;;2;;0.29;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM434601;MM434601;C=Cc1nnoc(=O)c1F;WHKLVJGZPQGEDN-UHFFFAOYSA-N;142.09;0.21;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNa_SP2";;;;;;;-0.24;;-3.24;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM434602;MM434602;C#CC1=COC(=NN)C1;LXXBHUJJJBWISB-UHFFFAOYSA-N;122.13;0.2;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNda_SN0";;;;;;;1.17;;-1.13;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM434603;MM434603;CCC=C(F)CCC1CO1;IZUAKEZTKHVXBQ-UHFFFAOYSA-N;144.19;2.43;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1_SNa";;;;;;;2.91;;0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM434604;MM434604;C=CC(C#CCCF)=CC;VBCRIZUPQMGJAZ-UHFFFAOYSA-N;138.19;2.48;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1_Na";;;;;;;2.91;;0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM434605;MM434605;C#CC1(C#C)CN1CCN;GUCJGCRCULAMSE-UHFFFAOYSA-N;134.18;-0.73;;;;;DOPC;MDCG;27;1;"MARTINI bead: P4_SP1";;;;;;;-2.01;;-7.04;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM434606;MM434606;O=Cc1nnoc(=O)c1F;RVXWAMGJYOKXLH-UHFFFAOYSA-N;144.06;-0.62;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP2_SP2";;;;;;;-1.34;;-4.31;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM434607;MM434607;C=CC(N)C1CC1CCC;VCBILHIWCDYUCM-UHFFFAOYSA-N;139.24;1.94;;;;;DOPC;MDCG;27;1;"MARTINI bead: SC2_P1";;;;;;;2;;-1.14;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM434608;MM434608;C=CC=C1CCC(CF)C1;ZWEWWJFQCDTGLN-UHFFFAOYSA-N;140.2;2.87;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC3_SC2";;;;;;;4.53;;0.32;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM434609;MM434609;CCN=C(C)NCC1CO1;VWIBDNMGLIBVEL-UHFFFAOYSA-N;142.2;0.41;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_SNa";;;;;;;0.87;;-5.57;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM434610;MM434610;N#Cc1nnoc(=O)c1F;MGGXWPYPFHAENZ-UHFFFAOYSA-N;141.06;-0.56;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP2_SP1";;;;;;;-1.06;;-3.82;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM434611;MM434611;C=NNC(C)C(C#N)=CC;SLOSBOCWZRXSRR-UHFFFAOYSA-N;137.19;1.05;;;;;DOPC;MDCG;27;0;"MARTINI bead: N0_Nd";;;;;;;1.17;;-1.04;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM434612;MM434612;C=CC(C#CCCC)=CF;SFICEIPGZMXCAB-UHFFFAOYSA-N;138.19;2.83;;;;;DOPC;MDCG;27;0;"MARTINI bead: C3_C4";;;;;;;3.9;;0.47;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM434613;MM434613;C=CC(N)C1CC1CCN;VGEIRQFKELYTIV-UHFFFAOYSA-N;140.23;0.48;;;;;DOPC;MDCG;27;1;"MARTINI bead: SNd_P1";;;;;;;0.04;;-5.59;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM434614;MM434614;O=CC=C1CCC(CF)C1;HMBRSJCDGZKJOY-UHFFFAOYSA-N;142.17;1.88;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC3_SC5";;;;;;;3.34;;0.48;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM434615;MM434615;CCC=C(F)CCN1CC1;JFNHYVPARMBDGJ-UHFFFAOYSA-N;143.21;1.96;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1_SP1";;;;;;;2.08;;0.51;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM434616;MM434616;C#Cc1nnoc(=O)c1C;SDWNOMVNLJPMBT-UHFFFAOYSA-N;136.11;-0.28;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP1_SP2";;;;;;;-1.06;;-3.82;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM434617;MM434617;C#CC1(C#C)CN1CCF;DIDKCMKGMXHDFP-UHFFFAOYSA-N;137.16;0.28;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_SP1";;;;;;;-1.06;;-3.82;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM434618;MM434618;C=CC(C#CCCF)=CF;FSJXJMGQDARJBG-UHFFFAOYSA-N;142.15;2.39;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_C4";;;;;;;2.2;;0.34;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM434619;MM434619;CCCC1CC1C(O)C#N;LLMZETHKDBMGGJ-UHFFFAOYSA-N;139.2;1.31;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC2_P3";;;;;;;0.86;;-0.3;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM434620;MM434620;N#CC=C1CCC(CF)C1;PQOKNLYMKPLFCY-UHFFFAOYSA-N;139.17;2.21;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC3_SC5";;;;;;;3.34;;0.48;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM434621;MM434621;C=CC=C(C)CCC1CC1;YNGZUMBPIXVBNO-UHFFFAOYSA-N;136.24;3.31;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1_SC5";;;;;;;3.68;;0.46;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM434622;MM434622;CC=C(C#CCCC)C=O;MUWBGYIGGVFNFE-UHFFFAOYSA-N;136.19;1.94;;;;;DOPC;MDCG;27;0;"MARTINI bead: C3_Na";;;;;;;2.57;;0.45;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM434623;MM434623;C#CC1(C#C)CC1CC=C;DAZZGLTXUFFLAD-UHFFFAOYSA-N;130.19;1.84;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4_SN0";;;;;;;2.5;;0.44;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM434624;MM434624;C#Cc1nnoc(=O)c1N;FMGPLRQSIASMKA-UHFFFAOYSA-N;137.1;-1.01;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP1_SP3";;;;;;;-1.93;;-4.72;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM434625;MM434625;N#CC(O)C1CC1CCO;NYCODOHMHGJKIC-UHFFFAOYSA-N;141.17;-0.11;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNda_P3";;;;;;;-1.1;;-3.97;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM434626;MM434626;C=CC=C1CCC(NC)C1;ZYJLEQCFODFLSO-UHFFFAOYSA-N;137.23;1.87;;;;;DOPC;MDCG;27;1;"MARTINI bead: SNd_SC2";;;;;;;2.83;;-1.08;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM434627;MM434627;CC(=CC=O)CCC1CC1;PCJCPAOTLMNCJF-UHFFFAOYSA-N;138.21;2.32;;;;;DOPC;MDCG;27;0;"MARTINI bead: N0_SC5";;;;;;;1.94;;0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM434628;MM434628;C#Cc1nnoc(=O)c1F;HSCIMSWMDFHHNX-UHFFFAOYSA-N;140.07;-0.45;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP2_SP1";;;;;;;-1.06;;-3.82;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM434629;MM434629;C#CC1(C#C)CC1CC=O;GTUDUSJJMBPBAY-UHFFFAOYSA-N;132.16;0.85;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_SN0";;;;;;;1.17;;-1.18;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM434630;MM434630;CC=C(C#N)C#CCCC;PLPMEXKAQGOBLD-UHFFFAOYSA-N;133.19;2.26;;;;;DOPC;MDCG;27;0;"MARTINI bead: C3_N0";;;;;;;2.87;;0.37;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM434631;MM434631;C=CC(F)C1CC1CCN;CYSVDIAORGRPJQ-UHFFFAOYSA-N;143.21;1.5;;;;;DOPC;MDCG;27;1;"MARTINI bead: SNd_Na";;;;;;;0.87;;-4.67;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM434632;MM434632;CNC1CCC(=CC=O)C1;YPHNJJVVOIWWBO-UHFFFAOYSA-N;139.2;0.88;;;;;DOPC;MDCG;27;1;"MARTINI bead: SNd_SC5";;;;;;;1.64;;-2.94;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM434633;MM434633;CC(=CC#N)CCC1CC1;RGBUREDCWAGPLD-UHFFFAOYSA-N;135.21;2.65;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_SC5";;;;;;;2.41;;0.64;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM434634;MM434634;CCCC1CC(CC)C1C;WYFJCBHNVJDRMI-UHFFFAOYSA-N;140.27;3.47;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC1_SC2";;;;;;;4.87;;0.53;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM434635;MM434635;C#CC=NNC=NC=CC;FJOLGLCSOYNJBA-UHFFFAOYSA-N;135.17;0.76;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4_Nd";;;;;;;2.2;;0.32;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM434636;MM434636;C#CC1(C#C)CC1CC#N;SFCJHLZOTBADTO-UHFFFAOYSA-N;129.16;1.17;;;;;DOPC;MDCG;27;0;"MARTINI bead: SN0_P1";;;;;;;0.34;;-1.53;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM434637;MM434637;CC=C(C#CCCO)C=O;QLISSMXUJMPBHI-UHFFFAOYSA-N;138.17;0.52;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_Nda";;;;;;;0.87;;-1.99;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM434638;MM434638;CNC1CCC(=CC#N)C1;VXYCGDSTZYZTIJ-UHFFFAOYSA-N;136.2;1.21;;;;;DOPC;MDCG;27;1;"MARTINI bead: SNd_SC5";;;;;;;1.64;;-3.03;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM434639;MM434639;NC(=CC=O)CCC1CC1;QKGRLKPETCJRSC-UHFFFAOYSA-N;139.2;1.22;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_SC5";;;;;;;0.81;;-0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM434640;MM434640;CC1C(CF)CC1CCN;GZJWFVUVPVBKMS-UHFFFAOYSA-N;145.22;1.58;;;;;DOPC;MDCG;27;1;"MARTINI bead: SC4_SC5";;;;;;;2.97;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM434641;MM434641;CC=C(C#N)C#CCCO;AYEPXNVBTWSKBP-UHFFFAOYSA-N;135.17;0.84;;;;;DOPC;MDCG;27;0;"MARTINI bead: N0_Nda";;;;;;;1.17;;-1.13;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM434642;MM434642;C#CC1(C#C)CC1NC=N;MPFFLWQKPUJQBN-UHFFFAOYSA-N;132.17;0.21;;;;;DOPC;MDCG;27;1;"MARTINI bead: P3_SN0";;;;;;;-0.8;;-6.37;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM434643;MM434643;CCCC1CC1C(F)C=O;NIBZZHXBHSJWIF-UHFFFAOYSA-N;144.19;1.96;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC2_P2";;;;;;;1.72;;0.27;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM434644;MM434644;C=CC=C1CCC(OC)C1;QWJKJSXPZYUZHY-UHFFFAOYSA-N;138.21;2.3;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC5_SC2";;;;;;;3.6;;0.34;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM434645;MM434645;CCC1CC(CCN)C1N;NRFKGJLFCSVHAC-UHFFFAOYSA-N;142.25;0.71;;;;;DOPC;MDCG;27;1;"MARTINI bead: SNd_SC5";;;;;;;1.64;;-3.04;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM434646;MM434646;C#CC1(C#C)CC1NC=O;ZHQVFXJWTRDDHT-UHFFFAOYSA-N;133.15;-0.24;;;;;DOPC;MDCG;27;0;"MARTINI bead: P3_SN0";;;;;;;-0.8;;-2.99;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM434647;MM434647;N#CC=C(N)CCC1CC1;RLUXHYRHTUDEGW-UHFFFAOYSA-N;136.2;1.54;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nd_SC5";;;;;;;1.64;;0.02;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM434648;MM434648;CCCC(O)C(C)C1CC1;SMVDLFCTQLGMNW-UHFFFAOYSA-N;142.24;2.19;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda_SC3";;;;;;;2.57;;0.44;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM434649;MM434649;CC=C(C#CCCF)C=O;AGCMQHZJEOHCDH-UHFFFAOYSA-N;140.16;1.49;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_Na";;;;;;;0.87;;-2.22;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM434650;MM434650;COC1CCC(=CC=O)C1;FLHZDSZOGLEBKE-UHFFFAOYSA-N;140.18;1.31;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC5_SC5";;;;;;;2.41;;0.64;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM434651;MM434651;C=CC(N)C1CC1CNC;QNQFKFLGRMEBDI-UHFFFAOYSA-N;140.23;0.36;;;;;DOPC;MDCG;27;1;"MARTINI bead: SNd_P1";;;;;;;0.04;;-5.85;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM434652;MM434652;CCCC1CC(CN)C1N;WHMAIWMIFYDKJP-UHFFFAOYSA-N;142.25;0.71;;;;;DOPC;MDCG;27;1;"MARTINI bead: SC5_SNd";;;;;;;1.64;;-2.72;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM434653;MM434653;C#CC1(C#C)CC1NN=C;PKPCFXYNAQHDQQ-UHFFFAOYSA-N;132.17;0.22;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_SN0";;;;;;;0.06;;-2.21;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM434654;MM434654;CC(=CC#N)OCC1CC1;HXVQIISXZWOZTB-UHFFFAOYSA-N;137.18;1.84;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_SC5";;;;;;;0.81;;-0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM434655;MM434655;CC=C(C#N)C#CCCF;HBSBJSFCRKUWSZ-UHFFFAOYSA-N;137.16;1.82;;;;;DOPC;MDCG;27;0;"MARTINI bead: N0_Na";;;;;;;1.17;;-1.18;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM434656;MM434656;COC1CCC(=CC#N)C1;DEQSALNRBSKOQG-UHFFFAOYSA-N;137.18;1.64;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC5_SC5";;;;;;;2.41;;0.64;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM434657;MM434657;COCC1CC1C(C)C#N;XDFMVTSYXMMUSV-UHFFFAOYSA-N;139.2;1.43;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNa_P1";;;;;;;0.04;;-2.54;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM434658;MM434658;CCCC#CC(C=O)=CN;QPTPZQLGLMCCOS-UHFFFAOYSA-N;137.18;0.83;;;;;DOPC;MDCG;27;0;"MARTINI bead: C3_P2";;;;;;;1.46;;-0.15;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM434659;MM434659;NCCC1CC(CF)C1N;UKGYCHGNLPSPBE-UHFFFAOYSA-N;146.21;0.27;;;;;DOPC;MDCG;27;1;"MARTINI bead: SC5_SNda";;;;;;;1.64;;-2.97;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM434660;MM434660;C#CC1(C#C)CC1OC=C;XUIJEJBEKXZEEJ-UHFFFAOYSA-N;132.16;1.17;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_SN0";;;;;;;1.17;;-1.18;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM434661;MM434661;C=CC=C(C)CNC1CC1;VMCXCSZMYLIDDJ-UHFFFAOYSA-N;137.23;1.87;;;;;DOPC;MDCG;27;1;"MARTINI bead: C1_SP1";;;;;;;2.08;;-0.64;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM434662;MM434662;C=NN=C1CCC(CC)C1;JVSDCHUJRCYNCQ-UHFFFAOYSA-N;138.21;2.25;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC1_SC5";;;;;;;3.68;;0.46;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM434663;MM434663;CCCC1CC(CN)C1O;BZEFOTLIWAQQIY-UHFFFAOYSA-N;143.23;0.74;;;;;DOPC;MDCG;27;1;"MARTINI bead: SC1_SP1";;;;;;;2.08;;-0.82;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM434664;MM434664;C=CC(N)C1CC1NCC;IYUZMNOWJFBRFE-UHFFFAOYSA-N;140.23;0.5;;;;;DOPC;MDCG;27;1;"MARTINI bead: SNd_P1";;;;;;;0.04;;-5.32;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM434665;MM434665;CC(=CC=O)CNC1CC1;MRZVGAAUGZFREO-UHFFFAOYSA-N;139.2;0.88;;;;;DOPC;MDCG;27;1;"MARTINI bead: N0_SP1";;;;;;;0.34;;-3.46;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM434666;MM434666;CCCC#CC(C#N)=CN;BOAPAYVCALRMMS-UHFFFAOYSA-N;134.18;1.16;;;;;DOPC;MDCG;27;0;"MARTINI bead: C3_P1";;;;;;;1.74;;0.29;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM434667;MM434667;C#CC1(C#C)CC1OC=O;REDDHMGQXASFAY-UHFFFAOYSA-N;134.13;0.18;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_SN0";;;;;;;0.34;;-1.53;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM434668;MM434668;C=NN=C1CCC(CN)C1;LVDQBZHQKHYSCK-UHFFFAOYSA-N;139.2;0.8;;;;;DOPC;MDCG;27;1;"MARTINI bead: SC5_SC5";;;;;;;2.41;;-0.49;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM434669;MM434669;NCCC1CC(CN)C1O;LESWIGVBJJNYMQ-UHFFFAOYSA-N;144.22;-0.71;;;;;DOPC;MDCG;27;1;"MARTINI bead: SC5_SP1";;;;;;;0.81;;-3.24;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM434670;MM434670;CCNC1CC1C(F)C#N;DZHGLUIPFUZAME-UHFFFAOYSA-N;142.18;0.85;;;;;DOPC;MDCG;27;1;"MARTINI bead: SNd_Na";;;;;;;0.87;;-3.35;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM434671;MM434671;C#CC1(C#C)CC1ON=C;NNWPQBJYHIBFOC-UHFFFAOYSA-N;133.15;0.64;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_SN0";;;;;;;0.34;;-1.53;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM434672;MM434672;CCCC#CC(C=O)=CF;RGJXYCKYLGAWGM-UHFFFAOYSA-N;140.16;1.84;;;;;DOPC;MDCG;27;0;"MARTINI bead: C3_Na";;;;;;;2.57;;0.45;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM434673;MM434673;C=CC=C(C)CCC1CO1;RRHRURAWGXKJOH-UHFFFAOYSA-N;138.21;2.3;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1_SNa";;;;;;;2.91;;0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM434674;MM434674;C=NN=C1CCC(CO)C1;GVFRMUIXYYXPDV-UHFFFAOYSA-N;140.19;0.84;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC5_SC5";;;;;;;2.41;;0.64;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM434675;MM434675;C=CC(C)C1CC1OCC;DGIAVSROGGXZAC-UHFFFAOYSA-N;140.23;2.23;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNa_C3";;;;;;;2.57;;0.45;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM434676;MM434676;CNCC1CC(CF)C1C;POMMAARKRUGAMO-UHFFFAOYSA-N;145.22;1.45;;;;;DOPC;MDCG;27;1;"MARTINI bead: SNd_SC4";;;;;;;2.2;;-2.61;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM434677;MM434677;CC(=CC#N)CCC1CO1;BOXLGOVBDBABQV-UHFFFAOYSA-N;137.18;1.64;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_SNa";;;;;;;1.64;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM434678;MM434678;C#CC1(C#C)NC1CC=C;NZCZZUQMHZGWQX-UHFFFAOYSA-N;131.18;0.54;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4_SP1";;;;;;;1.37;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM434679;MM434679;CCCC#CC(C#N)=CF;OCQZYFCASFLNDU-UHFFFAOYSA-N;137.16;2.17;;;;;DOPC;MDCG;27;0;"MARTINI bead: C3_Na";;;;;;;2.57;;0.45;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM434680;MM434680;C=NN=C1CCC(CF)C1;GLMVKTJEEWQGBI-UHFFFAOYSA-N;142.18;1.81;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC3_SC5";;;;;;;3.34;;0.48;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM434681;MM434681;CCCC1CC(NC)C1C;RFBYCSXCWCVCCJ-UHFFFAOYSA-N;141.26;2.03;;;;;DOPC;MDCG;27;1;"MARTINI bead: SC1_SNd";;;;;;;2.91;;-0.82;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM434682;MM434682;C=CC(O)C1CC1OCC;FDCINSNTHNWZIR-UHFFFAOYSA-N;142.2;0.96;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNa_Nda";;;;;;;0.87;;-1.99;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM434683;MM434683;NC(=CC=O)NCC1CO1;FAUQSRMHQXRJNC-UHFFFAOYSA-N;142.16;-1.03;;;;;DOPC;MDCG;27;0;"MARTINI bead: P3_SNa";;;;;;;-1.1;;-4.2;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM434684;MM434684;C=NNC1CC1(C#N)CF;SKBOLCSCYYXPBX-UHFFFAOYSA-N;141.15;0.44;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNa_P2";;;;;;;-0.24;;-3.24;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM434685;MM434685;O=CC(C#CCCF)=CF;QTEZKCAANDNGMT-UHFFFAOYSA-N;144.12;1.4;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_Na";;;;;;;0.87;;-2.22;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM434686;MM434686;C=NN=C1CCC(NC)C1;YSDTZTUXPZAJMM-UHFFFAOYSA-N;139.2;0.81;;;;;DOPC;MDCG;27;1;"MARTINI bead: SNd_SC5";;;;;;;1.64;;-2.55;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM434687;MM434687;CCCC1CC1N(C)C=N;CGHYYQZFRZCFNS-UHFFFAOYSA-N;140.23;1.71;;;;;DOPC;MDCG;27;1;"MARTINI bead: SC2_P2";;;;;;;1.72;;-3.38;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM434688;MM434688;CNC1CC(CCN)C1C;IXYNONFKZCNWFN-UHFFFAOYSA-N;142.25;0.58;;;;;DOPC;MDCG;27;1;"MARTINI bead: SNd_SC5";;;;;;;1.64;;-3.15;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM434689;MM434689;N#CC(C#CCCF)=CF;VSQVVOWPATWFBV-UHFFFAOYSA-N;141.12;1.73;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_Na";;;;;;;0.87;;-2.22;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM434690;MM434690;C=CC=C(C)OCC1CO1;YHPCXYFXUJFCJL-UHFFFAOYSA-N;140.18;1.49;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_SNa";;;;;;;1.64;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM434691;MM434691;C#CC1(C#C)NC1CC#N;WPGGCTKTBHVKLW-UHFFFAOYSA-N;130.15;-0.12;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP1_P1";;;;;;;-0.79;;-3.13;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM434692;MM434692;C=NN=C1CCC(OC)C1;PVHBCMNUJFSNAI-UHFFFAOYSA-N;140.19;1.24;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC5_SC5";;;;;;;2.41;;0.64;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM434693;MM434693;CCCC1CC(NC)C1N;YAFKAQOYFXBVGP-UHFFFAOYSA-N;142.25;0.72;;;;;DOPC;MDCG;27;1;"MARTINI bead: SC5_SNd";;;;;;;1.64;;-2.53;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM434694;MM434694;CN(C=O)C1CC1CCN;VODQXGINSPXLQI-UHFFFAOYSA-N;142.2;-0.19;;;;;DOPC;MDCG;27;1;"MARTINI bead: P2_SNd";;;;;;;-0.24;;-5.64;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM434695;MM434695;N#CC=C(N)OCC1CO1;GIIVUMNCJZHLOT-UHFFFAOYSA-N;140.14;-0.27;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_SNa";;;;;;;-0.24;;-3.24;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM434696;MM434696;C=CC(C#CCNC)=CC;ZXAHKRAMTACJEK-UHFFFAOYSA-N;135.21;1.34;;;;;DOPC;MDCG;27;1;"MARTINI bead: P2_C1";;;;;;;1.8;;-0.54;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM434697;MM434697;C#CC1(C#C)OC1CC=C;SXYKLHJXCQIENM-UHFFFAOYSA-N;132.16;0.97;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4_SNa";;;;;;;2.2;;0.34;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM434698;MM434698;C=CC=C1CNC(CC)C1;ZITNTYGPIGVKFW-UHFFFAOYSA-N;137.23;1.87;;;;;DOPC;MDCG;27;1;"MARTINI bead: SNd_SN0";;;;;;;1.17;;-4.33;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM434699;MM434699;CNC1CC(CCN)C1N;NSPOWBYPNUCOGJ-UHFFFAOYSA-N;143.23;-0.73;;;;;DOPC;MDCG;27;1;"MARTINI bead: SP1_SC5";;;;;;;0.81;;-3.48;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM434700;MM434700;CNCC1CC1N(C)C=O;PVOXJVVSCOPISO-UHFFFAOYSA-N;142.2;-0.32;;;;;DOPC;MDCG;27;1;"MARTINI bead: SNd_P2";;;;;;;-0.24;;-6.02;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM434701;MM434701;C#CC1(C#C)OC1CC=O;YUXHZWFCZLPRQQ-UHFFFAOYSA-N;134.13;-0.02;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_SNa";;;;;;;0.87;;-2.22;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM434702;MM434702;CC(=CC=O)CCN1CC1;SUKLVXMHWJBMSH-UHFFFAOYSA-N;139.2;0.84;;;;;DOPC;MDCG;27;0;"MARTINI bead: N0_SP1";;;;;;;0.34;;-1.53;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM434703;MM434703;C=CC(C#CCNC)=CF;ZCYJRYASURQUQC-UHFFFAOYSA-N;139.17;1.25;;;;;DOPC;MDCG;27;1;"MARTINI bead: P2_C4";;;;;;;1.09;;-1.91;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM434704;MM434704;CCC1CC(=CC=O)CN1;AIPPPPOWGHWBEU-UHFFFAOYSA-N;139.2;0.88;;;;;DOPC;MDCG;27;1;"MARTINI bead: SNd_SP1";;;;;;;0.04;;-5.61;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM434705;MM434705;CCCC1CC(NC)C1O;OOJGFDKKDDMEIQ-UHFFFAOYSA-N;143.23;0.76;;;;;DOPC;MDCG;27;1;"MARTINI bead: SC5_SNd";;;;;;;1.64;;-2.23;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM434706;MM434706;CCNC1CC1N(C)C=O;ADGVURZIBXLXJW-UHFFFAOYSA-N;142.2;-0.18;;;;;DOPC;MDCG;27;1;"MARTINI bead: SNd_P2";;;;;;;-0.24;;-5.01;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM434707;MM434707;CC=C(C#CCNC)C=O;NJBQZILWVISIPL-UHFFFAOYSA-N;137.18;0.35;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_Na";;;;;;;0.87;;-3.35;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM434708;MM434708;N#CC=C(N)CCN1CC1;RIJSNZMBNQWRRE-UHFFFAOYSA-N;137.19;0.06;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nd_SP1";;;;;;;0.04;;-2.63;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM434709;MM434709;C#CC1(C#C)OC1CC#N;YVWTWNXKNYREIO-UHFFFAOYSA-N;131.13;0.3;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNa_P1";;;;;;;0.04;;-2.54;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM434710;MM434710;CCC1CC(=CC#N)CN1;KNJIXHSZAFBZIJ-UHFFFAOYSA-N;136.2;1.21;;;;;DOPC;MDCG;27;1;"MARTINI bead: SNd_SP1";;;;;;;0.04;;-4.92;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM434711;MM434711;COC1CC(CCN)C1C;RTIUQKLWVFBMGH-UHFFFAOYSA-N;143.23;1.01;;;;;DOPC;MDCG;27;1;"MARTINI bead: SNa_SC5";;;;;;;1.64;;-2.72;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM434712;MM434712;C=CC(C)C1NC1CCN;DUPMFLHOFKKXAR-UHFFFAOYSA-N;140.23;0.5;;;;;DOPC;MDCG;27;1;"MARTINI bead: C3_SP2";;;;;;;1.46;;-2.47;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM434713;MM434713;CNCC#CC(C#N)=CF;TVUIXKZTMXDXCA-UHFFFAOYSA-N;138.15;0.59;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_Na";;;;;;;0.87;;-3.37;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM434714;MM434714;C#CC1(C#C)CN1CC=C;HEPXDPCDNBCKQW-UHFFFAOYSA-N;131.18;0.49;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_SP1";;;;;;;-0.79;;-3.13;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM434715;MM434715;C#CC=C(C)CCC1CC1;FEIPNALXQOTWKU-UHFFFAOYSA-N;134.22;2.76;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4_SC5";;;;;;;2.97;;0.45;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM434716;MM434716;C=CC=C1CNC(CN)C1;QJCNGRFOQFZJQL-UHFFFAOYSA-N;138.21;0.42;;;;;DOPC;MDCG;27;1;"MARTINI bead: SP1_SN0";;;;;;;0.34;;-4.31;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM434717;MM434717;COC1CC(CCN)C1N;GFDXQIXJVCNQIF-UHFFFAOYSA-N;144.22;-0.3;;;;;DOPC;MDCG;27;1;"MARTINI bead: SNa_SP1";;;;;;;0.04;;-5.4;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM434718;MM434718;CCCC1NC1C(C)C#N;HHVRGEHXHSCVCX-UHFFFAOYSA-N;138.21;1.29;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNd_P1";;;;;;;0.04;;-2.63;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM434719;MM434719;C#CC=C(C)OCC1CC1;HSYXKNVHTARAHE-UHFFFAOYSA-N;136.19;1.95;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_SC5";;;;;;;1.64;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM434720;MM434720;C=CC(C#CCOC)=CC;UIQZXUBXDQRAAI-UHFFFAOYSA-N;136.19;1.77;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_C1";;;;;;;2.91;;0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM434721;MM434721;Cn1nnc(=NN)oc1=N;KWLLWNFMFYCNQO-UHFFFAOYSA-N;142.12;-2.34;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP3_SP3";;;;;;;-3.07;;-6.15;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM434722;MM434722;C=CC=C1CNC(CO)C1;KVRHTKGCJPUOPI-UHFFFAOYSA-N;139.2;0.45;;;;;DOPC;MDCG;27;1;"MARTINI bead: SP1_SN0";;;;;;;0.34;;-4.08;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM434723;MM434723;CCNC1CC(CC)C1C;UPYUAGBAXXRJMR-UHFFFAOYSA-N;141.26;2.03;;;;;DOPC;MDCG;27;1;"MARTINI bead: SC5_SC2";;;;;;;3.6;;0.43;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM434724;MM434724;C=CC(N)C1NC1CCN;OAJLEYFLPZWROU-UHFFFAOYSA-N;141.22;-0.81;;;;;DOPC;MDCG;27;1;"MARTINI bead: SP2_P1";;;;;;;-1.06;;-6.32;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM434725;MM434725;C#CC=C(C)CNC1CC1;VIBLZTAWNHYKHK-UHFFFAOYSA-N;135.21;1.32;;;;;DOPC;MDCG;27;1;"MARTINI bead: C4_SP1";;;;;;;1.37;;-2.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM434726;MM434726;C=CC(C#CCOC)=CF;AMBVUHZHLZZMSP-UHFFFAOYSA-N;140.16;1.68;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_C4";;;;;;;2.2;;0.34;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM434727;MM434727;C#CC1(C#C)CN1CC#N;WWOIGLGVTFONPA-UHFFFAOYSA-N;130.15;-0.17;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP1_P3";;;;;;;-1.93;;-4.72;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM434728;MM434728;O=CC=C1CNC(CO)C1;VXQFUXXOKCKRLJ-UHFFFAOYSA-N;141.17;-0.53;;;;;DOPC;MDCG;27;1;"MARTINI bead: SP1_SP1";;;;;;;-0.79;;-5.39;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM434729;MM434729;C=CC(N)C1NC1CCO;FREJXZHLIMNXJQ-UHFFFAOYSA-N;142.2;-0.78;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1_SP2";;;;;;;-1.06;;-5.48;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM434730;MM434730;CCNC1CC(CF)C1C;IEQMJRNFEPGSHL-UHFFFAOYSA-N;145.22;1.59;;;;;DOPC;MDCG;27;1;"MARTINI bead: SNd_SC4";;;;;;;2.2;;-2.56;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM434731;MM434731;C#CC=C(C)CCC1CO1;ADLIPPNYKWTAIG-UHFFFAOYSA-N;136.19;1.74;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4_SNa";;;;;;;2.2;;0.34;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM434732;MM434732;C#CC1(C#C)CN1NC=N;PCCOFGMQBNTRKE-UHFFFAOYSA-N;133.15;-0.58;;;;;DOPC;MDCG;27;1;"MARTINI bead: P4_SP1";;;;;;;-2.01;;-7.67;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM434733;MM434733;CC=C(C#CCOC)C=O;BLBXAGZZIIRCDD-UHFFFAOYSA-N;138.17;0.78;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_Na";;;;;;;0.87;;-2.22;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM434734;MM434734;C=CC(O)C1NC1CCN;AXGUWXJTOOPJSE-UHFFFAOYSA-N;142.2;-0.78;;;;;DOPC;MDCG;27;1;"MARTINI bead: SP2_Nda";;;;;;;-0.24;;-5.75;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM434735;MM434735;N#CC=C1CNC(CO)C1;UWSXYYNHNRYOCR-UHFFFAOYSA-N;138.17;-0.21;;;;;DOPC;MDCG;27;1;"MARTINI bead: SP1_SP1";;;;;;;-0.79;;-4.69;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM434736;MM434736;CCNC1CC(CN)C1N;KTCXCGUYURSQKJ-UHFFFAOYSA-N;143.23;-0.73;;;;;DOPC;MDCG;27;1;"MARTINI bead: SNd_SP2";;;;;;;-0.24;;-5.99;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM434737;MM434737;CC=C(C#N)C#CCOC;OQNMZAQMLYPMLD-UHFFFAOYSA-N;135.17;1.11;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_N0";;;;;;;1.17;;-1.18;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM434738;MM434738;C#CC=C(C)OCC1CO1;WOYPLJCBWZIDPQ-UHFFFAOYSA-N;138.17;0.94;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_SNa";;;;;;;0.87;;-2.22;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM434739;MM434739;C#CC1(C#C)CN1NC=O;MTDYAHJMBHUSRL-UHFFFAOYSA-N;134.14;-1.03;;;;;DOPC;MDCG;27;0;"MARTINI bead: P4_SP1";;;;;;;-2.01;;-5.13;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM434740;MM434740;CC(C)(O)C1(C)CC1;SLWJJLUQLVJUPZ-UHFFFAOYSA-N;114.19;1.56;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda_SC5";;;;;;;1.64;;0.05;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM434741;MM434741;C=CC=C1CNC(CF)C1;IGRRSAXCVIMXNH-UHFFFAOYSA-N;141.19;1.43;;;;;DOPC;MDCG;27;1;"MARTINI bead: SNda_SN0";;;;;;;1.17;;-2.74;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM434742;MM434742;CCCC1NC(CN)C1C;VAHKPWDYPVFSPL-UHFFFAOYSA-N;142.25;0.72;;;;;DOPC;MDCG;27;1;"MARTINI bead: SNd_SP2";;;;;;;-0.24;;-6.25;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM434743;MM434743;COCC#CC(C=O)=CF;AMMBLNXLAQXLRK-UHFFFAOYSA-N;142.13;0.69;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_Na";;;;;;;0.87;;-2.22;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM434744;MM434744;NCCC(N)C=CC1CC1;ZMVGTRVCXTZXTI-UHFFFAOYSA-N;140.23;0.63;;;;;DOPC;MDCG;27;1;"MARTINI bead: P2_SC5";;;;;;;0.54;;-3.69;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM434745;MM434745;C#CCC1CC1(C#C)C#C;FYGCGGQNOLCDLM-UHFFFAOYSA-N;128.17;1.28;;;;;DOPC;MDCG;27;0;"MARTINI bead: N0_SN0";;;;;;;1.47;;-0.05;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM434746;MM434746;CC1CCCC1(C)O;NLNMBQJPOSCBCN-UHFFFAOYSA-N;114.19;1.56;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC3_SNda";;;;;;;2.57;;0.44;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM434747;MM434747;O=CC=C1CNC(CF)C1;VZGNUIUGHRRFSD-UHFFFAOYSA-N;143.16;0.44;;;;;DOPC;MDCG;27;1;"MARTINI bead: SNda_SP1";;;;;;;0.04;;-4.02;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM434748;MM434748;CCCC1NC(CF)C1C;KFRBLAOADLGJGJ-UHFFFAOYSA-N;145.22;1.73;;;;;DOPC;MDCG;27;1;"MARTINI bead: SNd_SNa";;;;;;;0.87;;-3.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM434749;MM434749;COCC#CC(C#N)=CF;PHIUWPHFSRFXKG-UHFFFAOYSA-N;139.13;1.01;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_Na";;;;;;;0.87;;-2.22;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM434750;MM434750;NCCC(N)C=CC1CN1;ZWJSXZGTNAIMRG-UHFFFAOYSA-N;141.22;-0.81;;;;;DOPC;MDCG;27;1;"MARTINI bead: P2_SP1";;;;;;;-1.06;;-6.43;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM434751;MM434751;C#CCC1NC1(C#C)C#C;QYYPFLUVUCNPQN-UHFFFAOYSA-N;129.16;-0.01;;;;;DOPC;MDCG;27;0;"MARTINI bead: N0_SP1";;;;;;;0.34;;-1.53;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM434752;MM434752;CCC1(O)CCCC1;LPCWIFPJLFCXRS-UHFFFAOYSA-N;114.19;1.7;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC5_SC4";;;;;;;2.97;;0.45;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM434753;MM434753;C=CC=C1COC(CC)C1;BOOKUJFOILKCRM-UHFFFAOYSA-N;138.21;2.3;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC5_SC5";;;;;;;2.41;;0.64;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM434754;MM434754;CCCC1NC(CN)C1N;OBCRJRAYXQHCGK-UHFFFAOYSA-N;143.23;-0.59;;;;;DOPC;MDCG;27;1;"MARTINI bead: SNd_SP3";;;;;;;-1.1;;-6.11;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM434755;MM434755;C=CC(C#CCCC)=NN;BMEAEFCFHZIHMB-UHFFFAOYSA-N;136.2;1.29;;;;;DOPC;MDCG;27;0;"MARTINI bead: C3_Nd";;;;;;;2.57;;0.53;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM434756;MM434756;NCCC(N)C=CC1CO1;SCNJQPXABOBPBI-UHFFFAOYSA-N;142.2;-0.38;;;;;DOPC;MDCG;27;1;"MARTINI bead: P2_SNa";;;;;;;-0.24;;-5.84;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM434757;MM434757;C#CCC1OC1(C#C)C#C;ISEOYSNADAOCKP-UHFFFAOYSA-N;130.15;0.41;;;;;DOPC;MDCG;27;0;"MARTINI bead: N0_SNa";;;;;;;1.17;;-1.18;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM434758;MM434758;CNCC1NC1C(C)C=O;ZUVXLLFJOVUERI-UHFFFAOYSA-N;142.2;-0.62;;;;;DOPC;MDCG;27;1;"MARTINI bead: SP2_Na";;;;;;;-0.24;;-5.24;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM434759;MM434759;CCC1CC(=CC=O)CO1;IDHYQRIGDLRWDB-UHFFFAOYSA-N;140.18;1.31;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC5_SNa";;;;;;;1.64;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM434760;MM434760;CCCC1NC(CF)C1N;WOGOIUXSLQXSOK-UHFFFAOYSA-N;146.21;0.42;;;;;DOPC;MDCG;27;1;"MARTINI bead: SNd_SP2";;;;;;;-0.24;;-4.83;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM434761;MM434761;C=Nn1nc(N)ncc1=N;VLZGXDLNKVAVKK-UHFFFAOYSA-N;138.13;-1.2;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP2_SP3";;;;;;;-2.2;;-5.19;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM434762;MM434762;CNCC1NC1C(O)C#N;SKBNGOFTYPELDZ-UHFFFAOYSA-N;141.17;-1.57;;;;;DOPC;MDCG;27;1;"MARTINI bead: SP2_P3";;;;;;;-2.2;;-6.98;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM434763;MM434763;CCC1CC(=CC#N)CO1;BNFPQHYAKDSHJU-UHFFFAOYSA-N;137.18;1.64;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC5_SN0";;;;;;;1.94;;0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM434764;MM434764;CCCC(O)C=CC1CO1;YYAFLIRTZQVYIM-UHFFFAOYSA-N;142.2;1.1;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_SNa";;;;;;;1.64;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM434765;MM434765;C#CCN1CC1(C#C)C#C;SFLHWFCKBXORDA-UHFFFAOYSA-N;129.16;-0.06;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_SP1";;;;;;;-1.06;;-3.82;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM434766;MM434766;CCC1CC(CCN)N1C;QXLYURSRUTXYJG-UHFFFAOYSA-N;142.25;0.82;;;;;DOPC;MDCG;27;1;"MARTINI bead: SNd_SP1";;;;;;;0.04;;-5.29;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM434767;MM434767;C#Cc1nc(=N)onc1N;JVGURSSWUMKEIY-UHFFFAOYSA-N;136.11;-0.89;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP3_SP3";;;;;;;-3.07;;-6.15;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM434768;MM434768;C=CC(C)C1OC1CCC;AGSLJLVOLSJLHF-UHFFFAOYSA-N;140.23;2.38;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNa_C3";;;;;;;2.57;;0.45;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM434769;MM434769;C=CC=C1COC(CN)C1;UTGOWACOVOSIEN-UHFFFAOYSA-N;139.2;0.85;;;;;DOPC;MDCG;27;1;"MARTINI bead: SP1_SC5";;;;;;;0.81;;-2.55;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM434770;MM434770;CNCC(N)C=CC1CO1;VIPXGPKGITWKBP-UHFFFAOYSA-N;142.2;-0.51;;;;;DOPC;MDCG;27;1;"MARTINI bead: P2_SNa";;;;;;;-0.24;;-5.84;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM434771;MM434771;N=c1oc(=NN)nnn1N;XCOWFTKNCXGXRT-UHFFFAOYSA-N;143.11;-3.16;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP3_SP3";;;;;;;-3.07;;-6.15;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM434772;MM434772;CN1C(CN)CC1CCN;RMQDLZDFVIGOAY-UHFFFAOYSA-N;143.23;-0.63;;;;;DOPC;MDCG;27;1;"MARTINI bead: SP1_SP1";;;;;;;-0.79;;-5.72;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM434773;MM434773;C=CC(C#CCCC)=NO;UHKKJGABKYDSHH-UHFFFAOYSA-N;137.18;1.81;;;;;DOPC;MDCG;27;0;"MARTINI bead: C3_Nda";;;;;;;2.57;;0.44;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM434774;MM434774;CCCC1OC1C(C)C=O;CRDNQABENDTNRR-UHFFFAOYSA-N;142.2;1.39;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNa_Na";;;;;;;0.87;;-2.22;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM434775;MM434775;CNCC(C)C=NN1CC1;OLBKGKHIZFCIEC-UHFFFAOYSA-N;141.22;0.14;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_SP3";;;;;;;-1.1;;-6.58;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM434776;MM434776;C=CC=C1COC(CO)C1;OXEXKZJQPZJRIY-UHFFFAOYSA-N;140.18;0.88;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP1_SC5";;;;;;;0.81;;-0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM434777;MM434777;CCC1(CC)CNCC1C;JUXJIWHJGHMSPQ-UHFFFAOYSA-N;141.26;2.03;;;;;DOPC;MDCG;27;1;"MARTINI bead: SC5_SNd";;;;;;;1.64;;-3.89;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM434778;MM434778;CNCC1CC(CN)N1C;MPZLRNKXAQFGBG-UHFFFAOYSA-N;143.23;-0.76;;;;;DOPC;MDCG;27;1;"MARTINI bead: SP1_SP1";;;;;;;-0.79;;-5.83;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM434779;MM434779;C=CC(C#CCCO)=NO;DXJUDYHRLXRHAY-UHFFFAOYSA-N;139.15;0.39;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_N0";;;;;;;0.34;;-1.53;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM434780;MM434780;CCCC1OC1C(C)C#N;NVLQHXZVBMDCEF-UHFFFAOYSA-N;139.2;1.71;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNa_P1";;;;;;;0.04;;-2.54;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM434781;MM434781;CCCN(C)C=NN1CC1;HAGWQQZHYBXUDX-UHFFFAOYSA-N;141.22;0.59;;;;;DOPC;MDCG;27;1;"MARTINI bead: C5_SP3";;;;;;;-0.33;;-3.31;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM434782;MM434782;CCC1(CN)CNCC1C;DFXKETWRKRJVGI-UHFFFAOYSA-N;142.25;0.58;;;;;DOPC;MDCG;27;1;"MARTINI bead: SP1_SNd";;;;;;;0.04;;-6.27;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM434783;MM434783;O=CC=C1COC(CO)C1;HJXBKQGXDKQMIA-UHFFFAOYSA-N;142.15;-0.11;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP1_SNa";;;;;;;0.04;;-2.54;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM434784;MM434784;CNCC1CC(CO)N1C;IOHXRXCRIOCCOT-UHFFFAOYSA-N;144.22;-0.73;;;;;DOPC;MDCG;27;1;"MARTINI bead: SP1_SP1";;;;;;;-0.79;;-5.74;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM434785;MM434785;C=CC(C#CCCF)=NO;VRWDYZCBTUENBN-UHFFFAOYSA-N;141.15;1.37;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda_Na";;;;;;;0.87;;-1.99;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM434786;MM434786;C=CCC(C)C=CC1CC1;LWDPURCDIPKJOP-UHFFFAOYSA-N;136.24;3.16;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1_SC5";;;;;;;3.68;;0.46;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM434787;MM434787;C=CC(N)C1OC1CCC;AZZXECCLJRUBOI-UHFFFAOYSA-N;141.21;1.07;;;;;DOPC;MDCG;27;1;"MARTINI bead: SNa_P1";;;;;;;0.04;;-4.25;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM434788;MM434788;CCC1(CC)COCC1C;MSVMITIVTSSOJG-UHFFFAOYSA-N;142.24;2.46;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC4_SNa";;;;;;;2.2;;0.34;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM434789;MM434789;CNCC1CC(CF)N1C;VZDZDWSARZVXGN-UHFFFAOYSA-N;146.21;0.25;;;;;DOPC;MDCG;27;1;"MARTINI bead: SP1_SNda";;;;;;;0.04;;-5.33;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM434790;MM434790;N#CC=C1COC(CO)C1;JOORTQUUZHRBRM-UHFFFAOYSA-N;139.15;0.22;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP1_SN0";;;;;;;0.34;;-1.53;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM434791;MM434791;Cc1nnc(=O)oc1O;COLDBXHSQKKOLI-UHFFFAOYSA-N;128.09;-0.56;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP3_SP2";;;;;;;-2.2;;-9.46;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM434792;MM434792;C=CC(N)C1OC1CCN;YJTLZMCGYLFZKY-UHFFFAOYSA-N;142.2;-0.38;;;;;DOPC;MDCG;27;1;"MARTINI bead: SP1_P1";;;;;;;-0.79;;-5.89;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM434793;MM434793;CCN1CC(CCN)C1C;QBZAZQCUZAJZEK-UHFFFAOYSA-N;142.25;0.68;;;;;DOPC;MDCG;27;1;"MARTINI bead: SNd_SP2";;;;;;;-0.24;;-6;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM434794;MM434794;CC(C=CC1CC1)CC#N;GODNJEILGWTRRC-UHFFFAOYSA-N;135.21;2.5;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_SC5";;;;;;;2.41;;0.64;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM434795;MM434795;CCC1(CN)COCC1C;QOUQFUFIGYJSMB-UHFFFAOYSA-N;143.23;1.01;;;;;DOPC;MDCG;27;1;"MARTINI bead: SNd_SNa";;;;;;;0.87;;-4.31;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM434796;MM434796;C=CC=C1COC(OC)C1;LFYDYZUMNGAXKC-UHFFFAOYSA-N;140.18;1.49;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNa_SC5";;;;;;;1.64;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM434797;MM434797;C=CC(O)C1OC1CCC;FTHBOCCIESBOLR-UHFFFAOYSA-N;142.2;1.1;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNa_Nda";;;;;;;0.87;;-1.99;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM434798;MM434798;CC(=O)OC(C=O)C=O;PULWSXZPMPFYQL-UHFFFAOYSA-N;130.1;-0.68;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_Na";;;;;;;0.04;;-7.34;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM434799;MM434799;N#CCC(F)C=CC1CC1;FILIRZVXDDRYKG-UHFFFAOYSA-N;139.17;2.2;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_SC5";;;;;;;1.64;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM434800;MM434800;CCN1CC(CNC)C1C;IOVOIDNUFOKPBY-UHFFFAOYSA-N;142.25;0.55;;;;;DOPC;MDCG;27;1;"MARTINI bead: SNd_SP2";;;;;;;-0.24;;-5.96;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM434801;MM434801;CCC1(CN)NCCC1C;VVGUYQJKECZNSL-UHFFFAOYSA-N;142.25;0.72;;;;;DOPC;MDCG;27;1;"MARTINI bead: SNd_SN0";;;;;;;1.17;;-4.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM434802;MM434802;COC1CC(=CC#N)CO1;HMBBVGWEXIAWDH-UHFFFAOYSA-N;139.15;0.83;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNa_SN0";;;;;;;1.17;;-1.18;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM434803;MM434803;C=CC(O)C1OC1CCN;NAHZKJBMFSXSBP-UHFFFAOYSA-N;143.19;-0.35;;;;;DOPC;MDCG;27;1;"MARTINI bead: SP1_Nda";;;;;;;0.04;;-5.43;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM434804;MM434804;C=CC(C#CCNC)=NN;IUFZMIIPMJVKSM-UHFFFAOYSA-N;137.19;-0.29;;;;;DOPC;MDCG;27;1;"MARTINI bead: P2_Nd";;;;;;;-0.24;;-4.65;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM434805;MM434805;CCCN1CC(CC)C1C;NQAZGFBNEVZWFK-UHFFFAOYSA-N;141.26;2.13;;;;;DOPC;MDCG;27;1;"MARTINI bead: SC5_SN0";;;;;;;1.94;;-1.28;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM434806;MM434806;C=CCC(N)C=CC1CO1;CXLDWYQYQFEBLA-UHFFFAOYSA-N;139.2;0.84;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_SNa";;;;;;;0.87;;-4.33;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM434807;MM434807;C=CC1(CN)COCC1C;SJOPDUQIVOGXDC-UHFFFAOYSA-N;141.21;0.78;;;;;DOPC;MDCG;27;1;"MARTINI bead: SNa_SNd";;;;;;;0.87;;-4.26;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM434808;MM434808;C=NN=C1COC(CO)C1;JKGODOZQLIHGQF-UHFFFAOYSA-N;142.16;-0.18;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP1_SN0";;;;;;;0.34;;-1.53;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM434809;MM434809;C=CC(F)C1OC1CCC;YSALQDXWHQFLJH-UHFFFAOYSA-N;144.19;2.08;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNa_Na";;;;;;;0.87;;-2.22;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM434810;MM434810;CCCN1CC(CN)C1C;HAOAJGJANUEDKH-UHFFFAOYSA-N;142.25;0.68;;;;;DOPC;MDCG;27;1;"MARTINI bead: SC5_SP2";;;;;;;0.54;;-3.65;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM434811;MM434811;C=CC(C#CCNC)=NO;DFXAANCZZYWLNH-UHFFFAOYSA-N;138.17;0.23;;;;;DOPC;MDCG;27;1;"MARTINI bead: P2_Nda";;;;;;;-0.24;;-4.76;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM434812;MM434812;C=CC1(CC)CCCN1C;YBIGJEZLDOYQPV-UHFFFAOYSA-N;139.24;2.05;;;;;DOPC;MDCG;27;1;"MARTINI bead: SC5_SNd";;;;;;;1.64;;-2.63;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM434813;MM434813;CCC1CNC(=CC#N)C1;JOWQYYXDVNOCPQ-UHFFFAOYSA-N;136.2;1.41;;;;;DOPC;MDCG;27;0;"MARTINI bead: SN0_SNd";;;;;;;1.17;;-1.04;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM434814;MM434814;N#CCC(O)C=CC1CO1;RGXSFOOQUJUNTR-UHFFFAOYSA-N;139.15;0.22;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_SNa";;;;;;;0.04;;-2.54;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM434815;MM434815;CCCC1OC1C(F)C=O;WHPMZMDJSNXDFG-UHFFFAOYSA-N;146.16;1.09;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNa_P2";;;;;;;-0.24;;-3.24;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM434816;MM434816;C=CC(C#CCOC)=NN;ZZPCXUPPEDLUCG-UHFFFAOYSA-N;138.17;0.14;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_Nd";;;;;;;0.87;;-1.88;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM434817;MM434817;CNC1CN(CCN)C1C;IJEGCCJFLSTOQP-UHFFFAOYSA-N;143.23;-0.76;;;;;DOPC;MDCG;27;1;"MARTINI bead: SP2_SNd";;;;;;;-0.24;;-5.41;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM434818;MM434818;O=CC=C1CC(CO)CN1;IVKHVZQZFDFEGA-UHFFFAOYSA-N;141.17;-0.33;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP1_SNda";;;;;;;0.04;;-2.73;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM434819;MM434819;C#CC1(CN)CCNC1C;QKZVDEBKNBEOKJ-UHFFFAOYSA-N;138.21;-0.05;;;;;DOPC;MDCG;27;1;"MARTINI bead: SNd_SP2";;;;;;;-0.24;;-6.43;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM434820;MM434820;C=COC(C)C=CC1CO1;JIWVKWSXKIMEBV-UHFFFAOYSA-N;140.18;1.49;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4_SNa";;;;;;;2.2;;0.34;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM434821;MM434821;C=CC(C)C1OC1CNC;ROVLKGLDDMZEEQ-UHFFFAOYSA-N;141.21;0.8;;;;;DOPC;MDCG;27;1;"MARTINI bead: SP2_C3";;;;;;;1.46;;-2.23;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM434822;MM434822;C=CC(C#CCOC)=NO;LWBFXQFWQBGQFV-UHFFFAOYSA-N;139.15;0.65;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_Nda";;;;;;;0.87;;-1.99;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM434823;MM434823;C=NNC=NOCCC;IYYIYLBRPKEOFJ-UHFFFAOYSA-N;129.16;0.56;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_P1";;;;;;;0.81;;-0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM434824;MM434824;C=CC(=NN)OCCC;QEGMNIJFTBAOPN-UHFFFAOYSA-N;128.18;0.87;;;;;DOPC;MDCG;27;0;"MARTINI bead: C3_Nda";;;;;;;2.57;;0.44;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM434825;MM434825;C=CCC1CC(CC)C1C;AYWDKXUFDHHJNV-UHFFFAOYSA-N;138.25;3.24;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC2_SC2";;;;;;;4.78;;0.59;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM434826;MM434826;C#CC1(CC)CCCN1C;MHVGDDLHNGEYTI-UHFFFAOYSA-N;137.23;1.49;;;;;DOPC;MDCG;27;1;"MARTINI bead: SN0_SNd";;;;;;;1.17;;-3.27;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM434827;MM434827;CNCC1OC1C(C)C#N;QEYSDMGHFBJUOP-UHFFFAOYSA-N;140.19;0.13;;;;;DOPC;MDCG;27;1;"MARTINI bead: SP2_P1";;;;;;;-1.06;;-6.02;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM434828;MM434828;Cn1[nH]nc(C#N)c1=O;OWNMPSKRXNKACS-UHFFFAOYSA-N;124.1;-1.02;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP3_SP1";;;;;;;-1.93;;-8.94;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM434829;MM434829;CCC(=NN)OC=CF;XQIUIXLGYWEBPR-UHFFFAOYSA-N;132.14;1.13;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_C5";;;;;;;0.81;;-0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM434830;MM434830;O=CC=C1CC(CF)CN1;GVSPSGVLKIAHDM-UHFFFAOYSA-N;143.16;0.65;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNa_SNda";;;;;;;0.87;;-1.99;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM434831;MM434831;CCC1CC(CC=O)C1C;CZJDWGGPFTVTDD-UHFFFAOYSA-N;140.23;2.26;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC2_SC5";;;;;;;3.6;;0.34;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM434832;MM434832;C=CC1(C=C)CCCC1C;JITQTAQGYXYFQX-UHFFFAOYSA-N;136.24;3.16;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC3_SC2";;;;;;;4.53;;0.32;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM434833;MM434833;C=CC(N)C1OC1CNC;MFRMDLVHRSHPRE-UHFFFAOYSA-N;142.2;-0.51;;;;;DOPC;MDCG;27;1;"MARTINI bead: SP2_P1";;;;;;;-1.06;;-6.14;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM434834;MM434834;C=CCC#CC(C=C)=CC;JFJPDLWQTNKHTR-UHFFFAOYSA-N;132.21;2.7;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1_C5";;;;;;;3.68;;0.46;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM434835;MM434835;N#CC=C1CC(CF)CN1;ZYDBGYDTTJPNNB-UHFFFAOYSA-N;140.16;0.97;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNa_SNd";;;;;;;0.87;;-1.88;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM434836;MM434836;CCC=CC(=NN)OC;DKHWTUGYNZSLBJ-UHFFFAOYSA-N;128.18;0.87;;;;;DOPC;MDCG;27;0;"MARTINI bead: C3_P1";;;;;;;1.74;;0.29;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM434837;MM434837;C=CC1(C=C)COCC1C;HDIAVSJWZCIQCW-UHFFFAOYSA-N;138.21;2.01;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNa_SC5";;;;;;;1.64;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM434838;MM434838;C=CCC(C)C(C)(O)C=C;YHWYLSFAONDROU-UHFFFAOYSA-N;140.23;2.14;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1_Nda";;;;;;;2.91;;0.57;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM434839;MM434839;C=CC(C)C1CN1CCN;VDSYGKHPAWMUSG-UHFFFAOYSA-N;140.23;0.45;;;;;DOPC;MDCG;27;1;"MARTINI bead: C3_SP2";;;;;;;1.46;;-1.99;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM434840;MM434840;C=CC(C#CCC=O)=CC;OVGJZSHAJRAXGF-UHFFFAOYSA-N;134.18;1.71;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1_Na";;;;;;;2.91;;0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM434841;MM434841;C#CCN(C)N=CC1CN1;YTUBLGFWVOUFPK-UHFFFAOYSA-N;137.19;-0.49;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_SP1";;;;;;;-1.06;;-3.82;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM434842;MM434842;CNC1CNC(=CC#N)C1;CBMXZUBXFLWCTA-UHFFFAOYSA-N;137.19;-0.02;;;;;DOPC;MDCG;27;1;"MARTINI bead: SP1_SNd";;;;;;;0.04;;-4.74;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM434843;MM434843;C=C1CCCC1(CC)CC;ONSJOOJICHLLBE-UHFFFAOYSA-N;138.25;3.53;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC1_SC4";;;;;;;4.24;;0.42;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM434844;MM434844;C=CCC(=C)C(C)(O)CC;NXAQBEOZSIXMCB-UHFFFAOYSA-N;140.23;2.28;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda_C2";;;;;;;2.83;;0.57;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM434845;MM434845;CCCN1CC1C(C)C#N;YVVZUZZINAUZHV-UHFFFAOYSA-N;138.21;1.24;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNd_P1";;;;;;;0.04;;-2.63;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM434846;MM434846;C=CC(C#CCC#N)=CC;ZAUGMZLGTBHFQJ-UHFFFAOYSA-N;131.18;2.04;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1_N0";;;;;;;3.21;;0.46;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM434847;MM434847;C#CCC(N)C=CC1CO1;ZSEOFNSESNQPND-UHFFFAOYSA-N;137.18;0.29;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_SNa";;;;;;;0.87;;-4.03;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM434848;MM434848;COC1CNC(=CC=O)C1;MJAVGDDJOMHXGZ-UHFFFAOYSA-N;141.17;0.08;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP1_SNda";;;;;;;0.04;;-2.73;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM434849;MM434849;C=C1CCCC1(CC)CN;ZTCFYBDOUPHKBW-UHFFFAOYSA-N;139.24;2.08;;;;;DOPC;MDCG;27;1;"MARTINI bead: SC5_SC4";;;;;;;2.97;;0.22;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM434850;MM434850;C=CCC1CC(CF)C1C;RGOPWGINDQSLQF-UHFFFAOYSA-N;142.22;2.8;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC4_SC2";;;;;;;4.16;;0.44;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM434851;MM434851;C=CCC#CC(C=C)=CF;XZOINNAYURWLRD-UHFFFAOYSA-N;136.17;2.61;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4_C5";;;;;;;2.97;;0.45;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM434852;MM434852;C=NNC=NC=CC;KDHYKTUUORGLIS-UHFFFAOYSA-N;111.15;0.75;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_P1";;;;;;;0.81;;-0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM434853;MM434853;NN=c1nnn(N)c(=O)o1;XCYASWUBGYXMMM-UHFFFAOYSA-N;144.09;-3.28;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP3_SP3";;;;;;;-3.07;;-6.15;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM434854;MM434854;COC1CNC(=CC#N)C1;ABXDUGMKRQOVNY-UHFFFAOYSA-N;138.17;0.4;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP1_SNd";;;;;;;0.04;;-2.63;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM434855;MM434855;C#CCN(C)N=CC1CO1;DQIQZKAQWNZVTK-UHFFFAOYSA-N;138.17;-0.06;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_SNa";;;;;;;-0.24;;-3.24;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM434856;MM434856;CC1C(CF)CC1CC#N;AGANXECBAHJRTL-UHFFFAOYSA-N;141.19;2.14;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC4_SC5";;;;;;;2.97;;0.45;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM434857;MM434857;C=NNC(=N)CC(=C)F;JYWNPPNXYYOICR-UHFFFAOYSA-N;129.14;1.04;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_P2";;;;;;;0.54;;-1.09;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM434858;MM434858;C=CC(C#CCC=O)=CF;QZDPGSKVNLPKOB-UHFFFAOYSA-N;138.14;1.62;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4_Na";;;;;;;2.2;;0.34;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM434859;MM434859;CCC1CN=C(NC=N)C1;ZFEHFINHZDWENG-UHFFFAOYSA-N;139.2;1.01;;;;;DOPC;MDCG;27;1;"MARTINI bead: SC4_SNd";;;;;;;2.2;;-1.36;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM434860;MM434860;C#CCC(C)N=CN1CC1;DOMPWDKOLYDGJQ-UHFFFAOYSA-N;136.2;0.74;;;;;DOPC;MDCG;27;1;"MARTINI bead: N0_SP1";;;;;;;0.34;;-3.66;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM434861;MM434861;C=C1CNCC1(CC)CC;HPVBKAXDSBCALB-UHFFFAOYSA-N;139.24;1.95;;;;;DOPC;MDCG;27;1;"MARTINI bead: SC5_SNd";;;;;;;1.64;;-2.93;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM434862;MM434862;C=CCC1CC(CN)C1N;NACFOJKCDJQYDO-UHFFFAOYSA-N;140.23;0.48;;;;;DOPC;MDCG;27;1;"MARTINI bead: SNd_SNd";;;;;;;0.87;;-4.93;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM434863;MM434863;CCC1(O)CC(C)C1C;POZJEQGGMOTYTN-UHFFFAOYSA-N;128.22;1.8;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNda_SC4";;;;;;;2.2;;0.49;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM434864;MM434864;C=CC(C#CCC#N)=CF;LBGGDJDCSJJTOS-UHFFFAOYSA-N;135.14;1.94;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4_N0";;;;;;;2.5;;0.44;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM434865;MM434865;C=CC=CC(=NN)OC;ISWYJABGVBYXBF-UHFFFAOYSA-N;126.16;0.65;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_C4";;;;;;;1.37;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM434866;MM434866;N=CNC1=NCC(CF)C1;VILQFFLUANDSEO-UHFFFAOYSA-N;143.17;0.57;;;;;DOPC;MDCG;27;1;"MARTINI bead: SNa_SNd";;;;;;;0.87;;-3.76;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM434867;MM434867;CCC1(NC)CCNC1=N;XOCSCSFEICIRIF-UHFFFAOYSA-N;141.22;0.33;;;;;DOPC;MDCG;27;1;"MARTINI bead: SNd_SNd";;;;;;;0.87;;-5.75;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM434868;MM434868;C=CCC1CC(CO)C1N;ZKHDXAXZHNEWSO-UHFFFAOYSA-N;141.21;0.52;;;;;DOPC;MDCG;27;1;"MARTINI bead: SNda_SNd";;;;;;;0.87;;-4.44;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM434869;MM434869;CCCC1CN1C(C)C#N;PIUCMVCNRCSGJL-UHFFFAOYSA-N;138.21;1.38;;;;;DOPC;MDCG;27;0;"MARTINI bead: SN0_P2";;;;;;;0.06;;-2.21;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM434870;MM434870;C=CCC#CC(C=O)=CC;QKOXCHNJQIVAPS-UHFFFAOYSA-N;134.18;1.71;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_C5";;;;;;;1.64;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM434871;MM434871;CNC1CN=C(NC=N)C1;UPJGGJMXQXNCEA-UHFFFAOYSA-N;140.19;-0.43;;;;;DOPC;MDCG;27;1;"MARTINI bead: SNd_SNd";;;;;;;0.87;;-3.85;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM434872;MM434872;C=C(C=CC1CC1)CCC;INIRIBPOXQXOJR-UHFFFAOYSA-N;136.24;3.31;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1_SC5";;;;;;;3.68;;0.46;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM434873;MM434873;CCC1(CN)CNNC1=N;BZCAVADKDFNJNJ-UHFFFAOYSA-N;142.21;-0.57;;;;;DOPC;MDCG;27;1;"MARTINI bead: SP2_SP3";;;;;;;-2.2;;-8.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM434874;MM434874;C=CCC1CC(CN)C1O;JGTGOTQRFPGILK-UHFFFAOYSA-N;141.21;0.52;;;;;DOPC;MDCG;27;1;"MARTINI bead: SNd_SC5";;;;;;;1.64;;-2.33;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM434875;MM434875;C=CCC#CC(C#N)=CC;DPGAAKAQVOGKIH-UHFFFAOYSA-N;131.18;2.04;;;;;DOPC;MDCG;27;0;"MARTINI bead: N0_C5";;;;;;;1.94;;0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM434876;MM434876;C=C(C=CC1CC1)CCN;ZCJUBTCJHDIPOP-UHFFFAOYSA-N;137.23;1.86;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_SC5";;;;;;;1.64;;-2.65;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM434877;MM434877;COC1CN=C(NC=N)C1;VYGQPYBQNLDCEV-UHFFFAOYSA-N;141.17;;;;;;DOPC;MDCG;27;1;"MARTINI bead: SNa_SNd";;;;;;;0.87;;-3.53;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM434878;MM434878;CNCC1CN1C(C)C=O;IJFWLWRLPFHPBL-UHFFFAOYSA-N;142.2;-0.52;;;;;DOPC;MDCG;27;1;"MARTINI bead: SP2_Na";;;;;;;-0.24;;-5.63;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM434879;MM434879;C=C1OCCC1(CC)CC;QVFSVIONLZTAKR-UHFFFAOYSA-N;140.23;2.73;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC4_SNa";;;;;;;2.2;;0.34;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM434880;MM434880;C=CCC1CC(NC)C1C;RQSQUHNHTXKVNX-UHFFFAOYSA-N;139.24;1.81;;;;;DOPC;MDCG;27;1;"MARTINI bead: SNd_SC2";;;;;;;2.83;;-1.01;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM434881;MM434881;CCCC(=O)C=CC1CC1;WWJNYAMVBGUYQH-UHFFFAOYSA-N;138.21;2.32;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_SC5";;;;;;;1.64;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM434882;MM434882;CC=C(C#N)C#CCC=O;MXTAGIMQHCVTLS-UHFFFAOYSA-N;133.15;1.05;;;;;DOPC;MDCG;27;0;"MARTINI bead: N0_Na";;;;;;;1.17;;-1.18;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM434883;MM434883;C=CC=C1CC(CC)CO1;PPXLHFSQWTZJSA-UHFFFAOYSA-N;138.21;2.5;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC5_SC5";;;;;;;2.41;;0.64;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM434884;MM434884;C=C1OCCC1(CC)CN;BGAUADIBXMAJBQ-UHFFFAOYSA-N;141.21;1.28;;;;;DOPC;MDCG;27;1;"MARTINI bead: SNd_SNa";;;;;;;0.87;;-4.26;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM434885;MM434885;CNCC1CN1C(C)C#N;JOJBTCHGWAVDHL-UHFFFAOYSA-N;139.2;-0.2;;;;;DOPC;MDCG;27;1;"MARTINI bead: SP2_P2";;;;;;;-1.34;;-6.8;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM434886;MM434886;C=CCC1CC(NC)C1N;ULNDWCJLAIUYSR-UHFFFAOYSA-N;140.23;0.5;;;;;DOPC;MDCG;27;1;"MARTINI bead: SNd_SNd";;;;;;;0.87;;-4.74;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM434887;MM434887;C=C(C=CC1CN1)CCN;GNFONMLNABZVQD-UHFFFAOYSA-N;138.21;0.42;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_SP1";;;;;;;0.04;;-5.38;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM434888;MM434888;CC=C(C#CCC#N)C=O;CVTLXJUTLDFGOP-UHFFFAOYSA-N;133.15;1.05;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_N0";;;;;;;1.17;;-1.18;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM434889;MM434889;CCC1COC(=CC=O)C1;PTYNPYBETKBDKJ-UHFFFAOYSA-N;140.18;1.52;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC5_SNa";;;;;;;1.64;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM434890;MM434890;C=CC1(CC)CCCC1=C;KOBNPGHWVWNHTI-UHFFFAOYSA-N;136.24;3.31;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC1_SC4";;;;;;;4.24;;0.42;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM434891;MM434891;CCCC1CN1N(C)C=N;GVRAWQMWPGOYOR-UHFFFAOYSA-N;141.22;0.92;;;;;DOPC;MDCG;27;1;"MARTINI bead: SN0_P3";;;;;;;-0.8;;-5.63;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM434892;MM434892;C=CCC1CC(OC)C1C;LJNWJFWFZWCOAH-UHFFFAOYSA-N;140.23;2.23;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC5_SC2";;;;;;;3.6;;0.34;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM434893;MM434893;C=C(C=CC1CO1)CCC;VXRJEMBAXMQUFJ-UHFFFAOYSA-N;138.21;2.3;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1_SNa";;;;;;;2.91;;0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM434894;MM434894;CC=C(C#N)C#CCC#N;LEWNSCKVCTWQDI-UHFFFAOYSA-N;130.15;1.37;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_P1";;;;;;;0.81;;-0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM434895;MM434895;C=CC1(CC)CNCC1=C;TVVHOVUEDNESAD-UHFFFAOYSA-N;137.23;1.73;;;;;DOPC;MDCG;27;1;"MARTINI bead: SN0_SNd";;;;;;;1.17;;-3.98;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM434896;MM434896;CCC1COC(=CC#N)C1;KNDATFRNBSTUFP-UHFFFAOYSA-N;137.18;1.84;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC5_SNa";;;;;;;1.64;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM434897;MM434897;C=CCC1CC(OC)C1N;QCKNMRNWOVJIGU-UHFFFAOYSA-N;141.21;0.92;;;;;DOPC;MDCG;27;1;"MARTINI bead: SNa_SNd";;;;;;;0.87;;-4.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM434898;MM434898;CCCC1CN1N(C)C=O;WDHXJOSDZMUJCN-UHFFFAOYSA-N;142.2;0.47;;;;;DOPC;MDCG;27;0;"MARTINI bead: SN0_P4";;;;;;;-0.88;;-3.74;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM434899;MM434899;C=C(C=CC1CO1)CCN;PRRZVPHDSSRAGU-UHFFFAOYSA-N;139.2;0.85;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_SNa";;;;;;;0.87;;-4.63;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM434900;MM434900;C=CCC#CC(C=O)=CN;CVMUZHKKWJVJRF-UHFFFAOYSA-N;135.17;0.61;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_C5";;;;;;;0.54;;-1.09;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM434901;MM434901;C=CC1(CN)CNCC1=C;CYLZOBQQUZNUDK-UHFFFAOYSA-N;138.21;0.28;;;;;DOPC;MDCG;27;1;"MARTINI bead: SP1_SNd";;;;;;;0.04;;-5.32;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM434902;MM434902;CNCC1CN1N(C)C=N;FAXXTYYTWMSXEA-UHFFFAOYSA-N;142.21;-0.66;;;;;DOPC;MDCG;27;1;"MARTINI bead: SP2_P3";;;;;;;-2.2;;-7.83;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM434903;MM434903;C=CC=C1CC(CN)CO1;FOPWTXUYFZXUHN-UHFFFAOYSA-N;139.2;1.05;;;;;DOPC;MDCG;27;1;"MARTINI bead: SP1_SC5";;;;;;;0.81;;-3.21;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM434904;MM434904;CCC1CC(NC=N)C1C;KUHSEDCGSVOZAO-UHFFFAOYSA-N;140.23;1.62;;;;;DOPC;MDCG;27;1;"MARTINI bead: SC2_SNd";;;;;;;2.83;;-2.08;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM434905;MM434905;C=CCC#CC(C#N)=CN;LBVSBNFIAHPVEB-UHFFFAOYSA-N;132.17;0.93;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_C5";;;;;;;0.81;;-0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM434906;MM434906;CCCC(=O)C=CC1CO1;ASNOUTVDROTNDQ-UHFFFAOYSA-N;140.18;1.31;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_SNa";;;;;;;0.87;;-2.22;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM434907;MM434907;C=CC1(NC)CNCC1=C;MBZOBVUWRIYTIH-UHFFFAOYSA-N;138.21;0.29;;;;;DOPC;MDCG;27;1;"MARTINI bead: SP1_SNd";;;;;;;0.04;;-4.79;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM434908;MM434908;CNCC1CN1N(C)C=O;GJNNATJGALDDTF-UHFFFAOYSA-N;143.19;-1.11;;;;;DOPC;MDCG;27;1;"MARTINI bead: SP2_P4";;;;;;;-2.29;;-8.09;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM434909;MM434909;C=CC=C1CC(CO)CO1;MMOHRRVARAPDPH-UHFFFAOYSA-N;140.18;1.09;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP1_SC5";;;;;;;0.81;;-0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM434910;MM434910;N=CNC1CC(CN)C1O;SMAPILCAGJWABF-UHFFFAOYSA-N;143.19;-1.11;;;;;DOPC;MDCG;27;1;"MARTINI bead: SNd_SP2";;;;;;;-0.24;;-6.75;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM434911;MM434911;NC=C(C#CCC=O)C=O;JVGFUXMQCOJQLV-UHFFFAOYSA-N;137.14;-0.38;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_Na";;;;;;;-0.24;;-3.24;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM434912;MM434912;C=C(C=CC1CO1)CNC;YBODTDGCBZEMLJ-UHFFFAOYSA-N;139.2;0.72;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_SNa";;;;;;;0.87;;-4.24;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM434913;MM434913;C=CC1(CC)COCC1=C;LQWLHFSXSYHLMW-UHFFFAOYSA-N;138.21;2.16;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC4_SNa";;;;;;;2.2;;0.34;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM434914;MM434914;C=CC(C)C1CC1CC#N;IFQWRPMDUFPNBR-UHFFFAOYSA-N;135.21;2.36;;;;;DOPC;MDCG;27;0;"MARTINI bead: C3_SC5";;;;;;;3.34;;0.48;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM434915;MM434915;C=NNC1CC(NC)C1C;CZWFXLDUQVOMSW-UHFFFAOYSA-N;141.22;0.19;;;;;DOPC;MDCG;27;1;"MARTINI bead: SNd_SNd";;;;;;;0.87;;-4.77;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM434916;MM434916;N#CC=C1CC(CO)CO1;SHFZNIQWSLBCHV-UHFFFAOYSA-N;139.15;0.42;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP1_SNa";;;;;;;0.04;;-2.54;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM434917;MM434917;NN=c1nnc(N)c(N)o1;NNPHOEDFDYNOKZ-UHFFFAOYSA-N;142.12;-1.99;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP3_SP4";;;;;;;-3.15;;-6.87;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM434918;MM434918;C=C1COCC1(C=O)CC;SYAKOPJRCNOSAZ-UHFFFAOYSA-N;140.18;1.17;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNa_SNa";;;;;;;0.87;;-2.22;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM434919;MM434919;CCNC(=N)C=CC1CO1;FIKTYSVHHPNOSE-UHFFFAOYSA-N;140.19;0.53;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_SNa";;;;;;;0.87;;-6.48;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM434920;MM434920;C=CCC1CC1C(C)C#N;DJJADTVKTYMBOJ-UHFFFAOYSA-N;135.21;2.36;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_SC4";;;;;;;1.37;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM434921;MM434921;O=CC=C1CC(CF)CO1;XQMBRSXITVJWPW-UHFFFAOYSA-N;144.15;1.08;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNa_SNa";;;;;;;0.87;;-2.22;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM434922;MM434922;C=COC1CC(CN)C1C;SZAKJQDGWKUVOW-UHFFFAOYSA-N;141.21;1.13;;;;;DOPC;MDCG;27;1;"MARTINI bead: SNd_SC5";;;;;;;1.64;;-2.7;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM434923;MM434923;N#CCC#CC(C=O)=CN;AYYSVTCBMXRIRS-UHFFFAOYSA-N;134.14;-0.06;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_N0";;;;;;;0.06;;-2.21;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM434924;MM434924;CC(C#N)C1CC1CC=O;GMYKDZCZPMOZCZ-UHFFFAOYSA-N;137.18;1.37;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_SNa";;;;;;;0.04;;-2.54;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM434925;MM434925;CCCC(=O)N=CN1CC1;URGMMCLXTIJRDS-UHFFFAOYSA-N;140.19;0.66;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_SP1";;;;;;;-0.79;;-3.13;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM434926;MM434926;C=CC1(NC)CCNC1=N;GXEIXVFBHDZYHM-UHFFFAOYSA-N;139.2;0.1;;;;;DOPC;MDCG;27;1;"MARTINI bead: SP1_SNd";;;;;;;0.04;;-5.84;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM434927;MM434927;N#CC=C1CC(CF)CO1;NFWDSEILRVCINM-UHFFFAOYSA-N;141.15;1.4;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNa_SNa";;;;;;;0.87;;-2.22;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM434928;MM434928;C=COC1CC(NC)C1C;OEPMYRJYYHUUCW-UHFFFAOYSA-N;141.21;1.14;;;;;DOPC;MDCG;27;1;"MARTINI bead: SNd_SC4";;;;;;;2.2;;-2.18;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM434929;MM434929;CC(C=O)C1CC1CC#N;IBJLWZHJKNCLHX-UHFFFAOYSA-N;137.18;1.37;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_SC5";;;;;;;1.64;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM434930;MM434930;C=CC1(CC)CCOC1=C;UZFBVYVNIBXXHI-UHFFFAOYSA-N;138.21;2.5;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC4_SNa";;;;;;;2.2;;0.34;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM434931;MM434931;C=CCC#CC(C=O)=CF;LALFVGDEXUPTKT-UHFFFAOYSA-N;138.14;1.62;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_C5";;;;;;;1.64;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM434932;MM434932;C=C(C=NN1CC1)CCC;IDZLLQMWJKUEID-UHFFFAOYSA-N;138.21;1.64;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1_SP3";;;;;;;0.94;;0.03;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM434933;MM434933;C=COC1CC(NC)C1N;SSWQRMXVTHCYOM-UHFFFAOYSA-N;142.2;-0.17;;;;;DOPC;MDCG;27;1;"MARTINI bead: SNd_SNda";;;;;;;0.87;;-4.14;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM434934;MM434934;C=CC=C1CC(NC)CO1;AIZKCJMMCGOVLC-UHFFFAOYSA-N;139.2;1.06;;;;;DOPC;MDCG;27;1;"MARTINI bead: SP1_SC5";;;;;;;0.81;;-2.68;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM434935;MM434935;C=C1OCCC1(C#N)NC;COOYIKZIRIUAJR-UHFFFAOYSA-N;138.17;0.4;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP1_SNa";;;;;;;0.04;;-2.54;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM434936;MM434936;CC(C#N)C1CC1CC#N;MBUXMFXOYRFJQS-UHFFFAOYSA-N;134.18;1.7;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_SC5";;;;;;;0.81;;-0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM434937;MM434937;CCNC(=N)C=NN1CC1;ZVJUTUJWBYCARJ-UHFFFAOYSA-N;140.19;-0.13;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_SP3";;;;;;;-1.1;;-5.83;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM434938;MM434938;C=CCC#CC(C#N)=CF;XDQRBQJQOVHBCI-UHFFFAOYSA-N;135.14;1.94;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_C5";;;;;;;1.64;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM434939;MM434939;C=CCC1NC(CC)C1C;VLRHVLZZTOIHOX-UHFFFAOYSA-N;139.24;1.95;;;;;DOPC;MDCG;27;1;"MARTINI bead: SNd_SN0";;;;;;;1.17;;-4.62;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM434940;MM434940;CNC1COC(=CC#N)C1;QCVJYLPRNKINAM-UHFFFAOYSA-N;138.17;0.4;;;;;DOPC;MDCG;27;1;"MARTINI bead: SP1_SNa";;;;;;;0.04;;-4.73;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM434941;MM434941;C=CCC(=C)C=CC1CC1;BFLANTGXTJCKQZ-UHFFFAOYSA-N;134.22;3.08;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1_SC5";;;;;;;3.68;;0.46;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM434942;MM434942;C#CC1(OC)CNCC1=C;AAFCAUBFFIMFAP-UHFFFAOYSA-N;137.18;0.16;;;;;DOPC;MDCG;27;1;"MARTINI bead: SP1_SNd";;;;;;;0.04;;-4.33;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM434943;MM434943;O=CCC#CC(C=O)=CF;MFGIBLXMXZRBFQ-UHFFFAOYSA-N;140.11;0.63;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_Na";;;;;;;0.87;;-2.22;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM434944;MM434944;C=CCC1CC1C(N)C=C;MBZGDIQVKNIKQD-UHFFFAOYSA-N;137.23;1.71;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1_SC4";;;;;;;1.37;;-2.45;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM434945;MM434945;C=CCC1NC(CN)C1C;VPFWAALOQWJGJS-UHFFFAOYSA-N;140.23;0.5;;;;;DOPC;MDCG;27;1;"MARTINI bead: SP2_SNd";;;;;;;-0.24;;-6.17;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM434946;MM434946;C=CC=C1CC(OC)CO1;KMKSBKWOTLYWIS-UHFFFAOYSA-N;140.18;1.49;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNa_SC5";;;;;;;1.64;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM434947;MM434947;C=C(C=CC1CC1)CC=O;JEMGFTZPJJNRSW-UHFFFAOYSA-N;136.19;2.1;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_SC5";;;;;;;1.64;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM434948;MM434948;C#CC1(NC)CCNC1=N;BUEUDUOIUXHAJT-UHFFFAOYSA-N;137.19;-0.45;;;;;DOPC;MDCG;27;1;"MARTINI bead: SP2_SNd";;;;;;;-0.24;;-5.09;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM434949;MM434949;N=C(N)C(=O)N(N)C=O;DTEAOUBPGRFALO-UHFFFAOYSA-N;130.11;-2.22;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_P4";;;;;;;-2.29;;-5.95;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM434950;MM434950;N#CC(C#CCC=O)=CF;ITWQETKUBNYTSP-UHFFFAOYSA-N;137.11;0.96;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_Na";;;;;;;0.87;;-2.22;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM434951;MM434951;C=CCC1NC(CC)C1O;FWTRMOIFYUHHLK-UHFFFAOYSA-N;141.21;0.67;;;;;DOPC;MDCG;27;1;"MARTINI bead: SNd_SP1";;;;;;;0.04;;-4.47;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM434952;MM434952;COC1COC(=CC=O)C1;YPRHHGWTBBBIQY-UHFFFAOYSA-N;142.15;0.5;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNa_SNa";;;;;;;0.87;;-2.22;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM434953;MM434953;C#CC1(OC)CCOC1=C;UEHYCLDSDYWQRJ-UHFFFAOYSA-N;138.17;0.94;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNa_SNa";;;;;;;0.87;;-2.22;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM434954;MM434954;C=C(C=CC1CC1)CC#N;BDOCFHNLWYQZGK-UHFFFAOYSA-N;133.19;2.42;;;;;DOPC;MDCG;27;0;"MARTINI bead: N0_SC5";;;;;;;1.94;;0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM434955;MM434955;CCON=C(C)C(F)F;WUNFCRAVFCSAAI-UHFFFAOYSA-N;137.13;1.66;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_N0";;;;;;;1.94;;0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM434956;MM434956;N#CCC#CC(C=O)=CF;ZFBRWMIWBCHCJE-UHFFFAOYSA-N;137.11;0.96;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_N0";;;;;;;1.17;;-1.18;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM434957;MM434957;CCC1OC(CC#N)C1C;NLHXWEYFGQYHED-UHFFFAOYSA-N;139.2;1.71;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNa_SN0";;;;;;;1.17;;-1.18;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM434958;MM434958;COC1COC(=CC#N)C1;XNDKROPIDLREBE-UHFFFAOYSA-N;139.15;0.83;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNa_SNa";;;;;;;0.87;;-2.22;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM434959;MM434959;C=CC1(C=O)CCCC1=C;ALTMZRGFCFMDRR-UHFFFAOYSA-N;136.19;2.1;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC5_SC4";;;;;;;2.97;;0.45;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM434960;MM434960;O=CCC1CC1C(O)C=O;NJQYVVPZRDMXFD-UHFFFAOYSA-N;142.15;-0.23;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_SNa";;;;;;;-0.24;;-3.24;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM434961;MM434961;C=CCC(=O)C=CC1CC1;DAUBWLYVUIYEQM-UHFFFAOYSA-N;136.19;2.1;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_SC5";;;;;;;1.64;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM434962;MM434962;C=CCC#CC(C=C)=NN;DZUODPMPBHKZMZ-UHFFFAOYSA-N;134.18;1.07;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nd_C5";;;;;;;1.64;;0.02;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM434963;MM434963;C=CCC1CC(CO)N1C;YAWTVXCERFYNAT-UHFFFAOYSA-N;141.21;0.63;;;;;DOPC;MDCG;27;1;"MARTINI bead: SP2_SC5";;;;;;;0.54;;-2.87;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM434964;MM434964;CCC1CCC(=CC=O)N1;JMZAJVSJUBLEPA-UHFFFAOYSA-N;139.2;1.23;;;;;DOPC;MDCG;27;0;"MARTINI bead: SN0_SNda";;;;;;;1.17;;-1.13;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM434965;MM434965;C=CC1(C=O)CNCC1=C;MNSTXMRZQFNMIF-UHFFFAOYSA-N;137.18;0.52;;;;;DOPC;MDCG;27;1;"MARTINI bead: SP1_SNd";;;;;;;0.04;;-5.08;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM434966;MM434966;N#CCC1CC1C(O)C=O;VDNYSDKWKYJJPQ-UHFFFAOYSA-N;139.15;0.1;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_SC5";;;;;;;0.54;;-1.09;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM434967;MM434967;C=CCC#CC(C=C)=NO;GRQDHUHBKWQZAY-UHFFFAOYSA-N;135.17;1.58;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda_C5";;;;;;;1.64;;0.05;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM434968;MM434968;C=CCN1CC(CC)C1C;NIVZQXRRSWKGMD-UHFFFAOYSA-N;139.24;1.9;;;;;DOPC;MDCG;27;1;"MARTINI bead: SN0_SC5";;;;;;;1.94;;-0.44;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM434969;MM434969;C=CNC(=N)C=CC1CC1;ZEKUVOZDZIBVBK-UHFFFAOYSA-N;136.2;1.66;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_SC5";;;;;;;1.64;;-4.42;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM434970;MM434970;CCC1CCC(=CC#N)N1;JUMGYWLLNIKMPN-UHFFFAOYSA-N;136.2;1.56;;;;;DOPC;MDCG;27;0;"MARTINI bead: SN0_SNd";;;;;;;1.17;;-1.04;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM434971;MM434971;CCC1(CC)CC=CC1C;TUBZIVOKQWVSDH-UHFFFAOYSA-N;138.25;3.39;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC1_SC4";;;;;;;4.24;;0.42;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM434972;MM434972;N#CCC1CC1C(O)C#N;VRRSGYIFHVRYOV-UHFFFAOYSA-N;136.15;0.42;;;;;DOPC;MDCG;27;0;"MARTINI bead: P3_SC5";;;;;;;-0.33;;-2.01;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM434973;MM434973;N#CC=COC=CC(=O)O;WLKQYWGKGWURMF-UHFFFAOYSA-N;139.11;0.64;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_C5";;;;;;;0.81;;-5.25;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM434974;MM434974;C=CC=C(C)C(C)(O)CC;WYCHYIVYZAACGR-UHFFFAOYSA-N;140.23;2.28;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda_C1";;;;;;;2.91;;0.57;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM434975;MM434975;CON=CCOC=NN;VQPLDYKLUJWYHF-UHFFFAOYSA-N;131.14;-0.46;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_Nda";;;;;;;-0.24;;-3.31;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM434976;MM434976;C=CCC(=C)C=CC1CO1;VZAOJQOVQUGPKV-UHFFFAOYSA-N;136.19;2.07;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1_SNa";;;;;;;2.91;;0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM434978;MM434978;C=CCC1CC1C(F)C=C;VFBPWDFXVKUHHC-UHFFFAOYSA-N;140.2;2.72;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_SC4";;;;;;;2.2;;0.34;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM434977;MM434977;Cc1nnc(=NN)oc1C;RNDWWMDIPZDJCR-UHFFFAOYSA-N;140.15;-0.54;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP2_SP3";;;;;;;-2.2;;-5.19;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM434979;MM434979;C#CCC#CC(C=C)=CC;FQYSAANFXCUQMC-UHFFFAOYSA-N;130.19;2.15;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1_N0";;;;;;;3.21;;0.46;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM434980;MM434980;C=C(C=CC1CO1)CC=O;MKLSGHXXLKHSJB-UHFFFAOYSA-N;138.17;1.09;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_SNa";;;;;;;0.87;;-2.22;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM434981;MM434981;O=CC=C1CCC(CF)N1;BTGCSYAWAZEWLB-UHFFFAOYSA-N;143.16;0.79;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNa_SNda";;;;;;;0.87;;-1.99;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM434982;MM434982;COC1CN(CC#N)C1C;IPGJEERZHIOSJE-UHFFFAOYSA-N;140.19;0.23;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP2_SNd";;;;;;;-0.24;;-3.16;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM434983;MM434983;C=CCC1CC1C(F)C#N;ZWBYAEPTIGYVJC-UHFFFAOYSA-N;139.17;2.06;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_SC4";;;;;;;2.2;;0.34;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM434984;MM434984;C#CCC#CC(C=C)=CF;DCOOBAGDWCIJET-UHFFFAOYSA-N;134.15;2.05;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4_N0";;;;;;;2.5;;0.44;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM434985;MM434985;C=C(C=CC1CO1)CC#N;OYWDQZDEEQXJCU-UHFFFAOYSA-N;135.17;1.41;;;;;DOPC;MDCG;27;0;"MARTINI bead: N0_SNa";;;;;;;1.17;;-1.18;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM434986;MM434986;C=CC1(CN)CC=CC1N;JUANTCIUMJZHJP-UHFFFAOYSA-N;138.21;0.4;;;;;DOPC;MDCG;27;1;"MARTINI bead: SC5_SNd";;;;;;;1.64;;-2.17;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM434987;MM434987;N#CC=C1CCC(CF)N1;WFWNWTDKZIJBLO-UHFFFAOYSA-N;140.16;1.12;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNa_SNd";;;;;;;0.87;;-1.88;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM434988;MM434988;C#CCC1CC(CC)C1C;HRKFFAOXDAOGAC-UHFFFAOYSA-N;136.24;2.69;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC2_SC3";;;;;;;4.53;;0.32;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM434989;MM434989;N#CCC1CC1C(F)C#N;GDZWVPPGSMVKOD-UHFFFAOYSA-N;138.15;1.4;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_SC5";;;;;;;1.64;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM434990;MM434990;C#CCC#CC(C=O)=CC;LJYBICPYIOWEGI-UHFFFAOYSA-N;132.16;1.16;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_N0";;;;;;;1.17;;-1.18;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM434991;MM434991;C=CCC(=O)C=CC1CO1;OIPKOWVAHOLQRB-UHFFFAOYSA-N;138.17;1.09;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_SNa";;;;;;;0.87;;-2.22;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM434992;MM434992;C=CC1(CC)CN=CN1C;SJNODZLPQAKYOS-UHFFFAOYSA-N;138.21;1.29;;;;;DOPC;MDCG;27;1;"MARTINI bead: SN0_SP1";;;;;;;0.34;;-3;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM434993;MM434993;N=CNC1=NC(CO)CC1;QNRFDPFLEIXCBX-UHFFFAOYSA-N;141.17;-0.26;;;;;DOPC;MDCG;27;1;"MARTINI bead: SNda_SNd";;;;;;;0.87;;-3.62;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM434994;MM434994;C#CCC1CC(CF)C1C;GQUNPGSWPKIFNJ-UHFFFAOYSA-N;140.2;2.25;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC4_SC4";;;;;;;3.53;;0.53;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM434995;MM434995;CC(C#N)C1CC1NC=N;MYTJCTVSGPOYPL-UHFFFAOYSA-N;137.19;0.73;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1_SP1";;;;;;;-0.79;;-7.25;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM434996;MM434996;C#CCC#CC(C#N)=CC;MNOJJJIWFSHVFV-UHFFFAOYSA-N;129.16;1.48;;;;;DOPC;MDCG;27;0;"MARTINI bead: N0_N0";;;;;;;1.47;;-0.05;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM434997;MM434997;CCc1cnnc(=NN)o1;VZRCHMOSYKENJZ-UHFFFAOYSA-N;140.15;-0.59;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP2_SP3";;;;;;;-2.2;;-5.19;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM434998;MM434998;N#CCC(=O)C=CC1CO1;FJPGRAQWBIXQGE-UHFFFAOYSA-N;137.14;0.42;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_SNa";;;;;;;0.87;;-2.22;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM434999;MM434999;C#CCC1CC(CC)C1N;RLNVMVVZJBHTMJ-UHFFFAOYSA-N;137.23;1.38;;;;;DOPC;MDCG;27;1;"MARTINI bead: SC2_SNd";;;;;;;2.83;;-0.81;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM435000;MM435000;N=CNC1=NC(CF)CC1;RCUSQDZXHITVEP-UHFFFAOYSA-N;143.17;0.71;;;;;DOPC;MDCG;27;1;"MARTINI bead: SNa_SNd";;;;;;;0.87;;-3.56;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM435001;MM435001;C=NNC(=N)C1(C)CN1;BCOUEZWYODDKTR-UHFFFAOYSA-N;126.16;-0.47;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP1_P2";;;;;;;-1.06;;-3.82;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM435002;MM435002;C#CCC#CC(C=O)=CN;UVOPEQQJXXLJIG-UHFFFAOYSA-N;133.15;0.05;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_C5";;;;;;;0.81;;-0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM435003;MM435003;C#CC1(C#N)CC=NN1C;UWNNSCWGUVQYGT-UHFFFAOYSA-N;133.15;0.2;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP1_SP1";;;;;;;-0.79;;-3.13;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM435004;MM435004;C=CNC(=O)C=CC1CO1;JKYHAHLCMADGNL-UHFFFAOYSA-N;139.15;0.2;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_SNa";;;;;;;0.04;;-2.54;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM435005;MM435005;C#CCC1CC(CN)C1N;RRYSSUBXUUCAKL-UHFFFAOYSA-N;138.21;-0.07;;;;;DOPC;MDCG;27;1;"MARTINI bead: SP2_SC4";;;;;;;1.09;;-3.12;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM435006;MM435006;C#CCC=NOC=NN;KZHZQBOSSLGRBZ-UHFFFAOYSA-N;125.13;-0.09;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_C5";;;;;;;0.54;;-1.09;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM435007;MM435007;C=CC(F)C1CC1NN=C;NFNPGHJVWQJIBP-UHFFFAOYSA-N;142.18;1.1;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_SNd";;;;;;;0.87;;-1.88;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM435008;MM435008;C#CCC#CC(C#N)=CN;FRWWPRHEWIOGBJ-UHFFFAOYSA-N;130.15;0.38;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_C5";;;;;;;0.81;;-0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM435009;MM435009;C#CC1(C#C)CC=NN1C;QTFOWUFXLJUKBH-UHFFFAOYSA-N;132.17;0.31;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP1_SN0";;;;;;;0.34;;-1.53;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM435010;MM435010;C=CCC(=O)C=CN1CC1;RTOFECVQNSKIBD-UHFFFAOYSA-N;137.18;0.96;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_SP1";;;;;;;0.04;;-2.54;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM435011;MM435011;CC12CC1N=C(NN)O2;QRXDEKKKEXWXKQ-UHFFFAOYSA-N;127.15;-0.63;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC5_SP2";;;;;;;0.54;;-1.09;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM435012;MM435012;C#CCC1CC(NC)C1N;VRRGGKFUPPRBKK-UHFFFAOYSA-N;138.21;-0.06;;;;;DOPC;MDCG;27;1;"MARTINI bead: SNd_SNd";;;;;;;0.87;;-4.74;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM435013;MM435013;CCC1CNC(=CC=O)N1;KHSSHNCRJBRGEP-UHFFFAOYSA-N;140.19;;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP1_SP1";;;;;;;-0.79;;-3.13;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM435014;MM435014;C#CCC#CC(C=O)=CF;FCKBKHVSDNZQPF-UHFFFAOYSA-N;136.13;1.07;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_N0";;;;;;;1.17;;-1.18;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM435015;MM435015;C=C1C=CCC1(CC)NC;WRUBFQUTAJWMHS-UHFFFAOYSA-N;137.23;1.87;;;;;DOPC;MDCG;27;1;"MARTINI bead: SC5_SC4";;;;;;;2.97;;0.16;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM435016;MM435016;C#CC1(CC)NC1C=O;YMJHITXBKGFPNS-UHFFFAOYSA-N;123.16;-0.06;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNd_P2";;;;;;;-0.24;;-3.16;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM435018;MM435018;C=COC1CC1C(C)C=C;SQNXGWSNYIFISD-UHFFFAOYSA-N;138.21;2.36;;;;;DOPC;MDCG;27;0;"MARTINI bead: C3_SNa";;;;;;;2.57;;0.45;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM435017;MM435017;C#CCC1CC(NC)C1O;ALOZXWWRQOIQOE-UHFFFAOYSA-N;139.2;-0.02;;;;;DOPC;MDCG;27;1;"MARTINI bead: SNd_SNda";;;;;;;0.87;;-4.25;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM435019;MM435019;CCC1CNC(=CC#N)N1;YSTDWUWCOJZBLQ-UHFFFAOYSA-N;137.19;0.32;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP1_SP1";;;;;;;-0.79;;-3.13;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM435020;MM435020;C#CCC#CC(C#N)=CF;OILJWMZSFKDTRR-UHFFFAOYSA-N;133.13;1.39;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_N0";;;;;;;1.17;;-1.18;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM435021;MM435021;C=CC1(CC)CC=CC1=C;MDRLVQHWFGKXIG-UHFFFAOYSA-N;134.22;3.08;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC1_SC4";;;;;;;4.24;;0.42;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM435022;MM435022;C=NNCC1(C#N)CC1;AELKFMIEARPQAW-UHFFFAOYSA-N;123.16;0.5;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_SN0";;;;;;;0.06;;-2.21;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM435023;MM435023;C=COC1CC1C(C)C=O;HDHSDFHUUYELTQ-UHFFFAOYSA-N;140.18;1.37;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_SNa";;;;;;;0.87;;-2.22;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM435024;MM435024;C#CCC1CC(OC)C1C;YXCFHPWPJRZMLY-UHFFFAOYSA-N;138.21;1.68;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC5_SC4";;;;;;;2.97;;0.45;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM435025;MM435025;CC#CC=NOC=NN;AESKGWNQEMMGTO-UHFFFAOYSA-N;125.13;-0.09;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4_P2";;;;;;;1.09;;-0.38;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM435026;MM435026;C#CCC#CC(C=C)=NN;XSDIGHZKWZLILJ-UHFFFAOYSA-N;132.17;0.51;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nd_N0";;;;;;;1.17;;-1.04;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM435027;MM435027;C=C1C=CCC1(C=O)CC;HQYLOLJJXUUMOB-UHFFFAOYSA-N;136.19;2.1;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC5_SC4";;;;;;;2.97;;0.45;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM435028;MM435028;C=CCC(=C)C=NN1CC1;VUGKJEZJTDXPNK-UHFFFAOYSA-N;136.2;1.42;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1_SP3";;;;;;;0.94;;0.03;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM435029;MM435029;C#CCC1NC(CN)C1C;SHKISYHXMDQCLL-UHFFFAOYSA-N;138.21;-0.06;;;;;DOPC;MDCG;27;1;"MARTINI bead: SP2_SN0";;;;;;;0.06;;-4.86;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM435030;MM435030;C=COC1CC1C(O)C=C;LKHKIXLEXXNJCU-UHFFFAOYSA-N;140.18;1.08;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda_SNa";;;;;;;0.87;;-1.99;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM435031;MM435031;N#CC=C1NCC(CF)N1;GCYAKELXYBBTCH-UHFFFAOYSA-N;141.15;-0.12;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP2_SP1";;;;;;;-1.06;;-3.82;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM435032;MM435032;C#CCC#CC(C=C)=NO;PYXCGNPGHFLVJP-UHFFFAOYSA-N;133.15;1.03;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda_N0";;;;;;;1.17;;-1.13;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM435033;MM435033;C=CC1(CN)CC=CC1=C;RMUJJIMAOYKQKL-UHFFFAOYSA-N;135.21;1.63;;;;;DOPC;MDCG;27;1;"MARTINI bead: SC5_SC4";;;;;;;2.97;;0.27;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM435034;MM435034;C=C(C=NN1CC1)CC#N;PWWAFHAIQZQTQQ-UHFFFAOYSA-N;135.17;0.76;;;;;DOPC;MDCG;27;0;"MARTINI bead: N0_SP3";;;;;;;-0.8;;-2.99;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM435035;MM435035;C#CCC1NC(CF)C1C;GEYIUBABWHTYMD-UHFFFAOYSA-N;141.19;0.96;;;;;DOPC;MDCG;27;1;"MARTINI bead: SNda_SN0";;;;;;;1.17;;-2.62;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM435036;MM435036;C=COC1CC1C(F)C=C;AQOGICNIKXTLQX-UHFFFAOYSA-N;142.17;2.06;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_SNa";;;;;;;0.87;;-2.22;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM435037;MM435037;CCC1COC(=CC=O)N1;QNMLKLJBVKVLOI-UHFFFAOYSA-N;141.17;0.43;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP1_SP1";;;;;;;-0.79;;-3.13;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM435038;MM435038;C#CC(C#CCCC)=CC;DVFRXZBZVDFWGI-UHFFFAOYSA-N;132.21;2.37;;;;;DOPC;MDCG;27;0;"MARTINI bead: C3_C4";;;;;;;3.9;;0.47;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM435039;MM435039;C=CC1(OC)CC=CC1=C;BNDRABWTKDFRLW-UHFFFAOYSA-N;136.19;2.07;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC5_SC4";;;;;;;2.97;;0.45;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM435040;MM435040;CCC1COC(=NN)C1;GDUFWSHNNHLDGN-UHFFFAOYSA-N;128.18;0.71;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC5_SNda";;;;;;;1.64;;0.05;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM435041;MM435041;C#CCC1CC(CC)N1C;IJUOREPBGYXBMW-UHFFFAOYSA-N;137.23;1.49;;;;;DOPC;MDCG;27;1;"MARTINI bead: SNd_SN0";;;;;;;1.17;;-3.1;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM435042;MM435042;N=CNc1ncn(N)n1;QOBXTSZPNNSEAW-UHFFFAOYSA-N;126.12;-0.99;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP3_SP2";;;;;;;-2.2;;-5.19;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM435043;MM435043;C#CC(C#CCCN)=CC;AGPMLBCOBOYDFG-UHFFFAOYSA-N;133.19;0.92;;;;;DOPC;MDCG;27;1;"MARTINI bead: C4_Nd";;;;;;;2.2;;-1.81;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM435044;MM435044;CCC1COC(=CC#N)N1;BJWFSUSKFQVBND-UHFFFAOYSA-N;138.17;0.75;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP1_SNda";;;;;;;0.04;;-2.73;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM435045;MM435045;C#CC1(OC)CC=CC1=C;XKMFSOJNHFNJAG-UHFFFAOYSA-N;134.18;1.52;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC5_SC4";;;;;;;2.97;;0.45;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM435046;MM435046;N#CCC(=O)C=NN1CC1;GTGBEIODXQGJEP-UHFFFAOYSA-N;137.14;-0.23;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_SP3";;;;;;;-1.1;;-4.2;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM435047;MM435047;C#CCN1CC(CC)C1C;YOGVYMZMMLPKJK-UHFFFAOYSA-N;137.23;1.35;;;;;DOPC;MDCG;27;1;"MARTINI bead: SN0_SNd";;;;;;;1.17;;-2.19;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM435048;MM435048;CN(C=N)C1CC1CC#N;ZEFFXWNHYDSLMR-UHFFFAOYSA-N;137.19;0.83;;;;;DOPC;MDCG;27;1;"MARTINI bead: P2_SC5";;;;;;;0.54;;-5.2;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM435049;MM435049;C#CC(C#CCCF)=CC;OHUUKMQFTXYTEF-UHFFFAOYSA-N;136.17;1.93;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4_Na";;;;;;;2.2;;0.34;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM435050;MM435050;C=CC=C1CCC(CC)O1;ORHUORASKSYESW-UHFFFAOYSA-N;138.21;2.65;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC5_SC5";;;;;;;2.41;;0.64;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM435051;MM435051;C=CC1(C=O)CC=CC1=C;VTTALWSRSWXJPQ-UHFFFAOYSA-N;134.18;1.87;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC5_SC4";;;;;;;2.97;;0.45;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM435052;MM435052;C=CC1CC(CCC)C1C;VXPNXFDPYNCLQX-UHFFFAOYSA-N;138.25;3.24;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC1_SC4";;;;;;;4.24;;0.42;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM435053;MM435053;C=CNC(=O)C=NN1CC1;ZLVQMZFZAYTRRM-UHFFFAOYSA-N;139.16;-0.45;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_SP3";;;;;;;-1.93;;-4.72;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM435054;MM435054;CC(=O)C#CC1CN1C;OABAJMDNEJSBSM-UHFFFAOYSA-N;123.16;-0.11;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP1_Na";;;;;;;0.04;;-2.54;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM435055;MM435055;C#CC(C#CCCC)=CF;QZXRYHWFPQXUKE-UHFFFAOYSA-N;136.17;2.28;;;;;DOPC;MDCG;27;0;"MARTINI bead: C3_C5";;;;;;;3.34;;0.48;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM435056;MM435056;CCC1CCC(=CC#N)O1;LZYIZAOHXFLUSL-UHFFFAOYSA-N;137.18;1.98;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC5_SNa";;;;;;;1.64;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM435057;MM435057;NN=c1ncc(=O)cno1;LACVFPNQSFEPPA-UHFFFAOYSA-N;140.1;-1.8;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP2_SP2";;;;;;;-1.34;;-4.31;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM435058;MM435058;C#CCC(=C)C=CC1CC1;CKFZWUGEADIFLQ-UHFFFAOYSA-N;132.21;2.53;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4_SC5";;;;;;;2.97;;0.45;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM435059;MM435059;CCCC1CC(C=O)C1C;QXXORVBAOGKTMH-UHFFFAOYSA-N;140.23;2.26;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC1_SNa";;;;;;;2.91;;0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM435060;MM435060;C=CCC1CC1N(C)N=C;CDUULTWPUWILJF-UHFFFAOYSA-N;138.21;1.5;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_SC4";;;;;;;1.37;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM435061;MM435061;C#CC(C#CCCF)=CF;RSZZRYQCNMCIFP-UHFFFAOYSA-N;140.13;1.84;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_C5";;;;;;;1.64;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM435062;MM435062;C=CC=C1CCC(CN)O1;PWAOIDHXBLOHNP-UHFFFAOYSA-N;139.2;1.19;;;;;DOPC;MDCG;27;1;"MARTINI bead: SP1_SC5";;;;;;;0.81;;-2.55;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM435063;MM435063;C=CC1(CN)C=CCN1C;OFQOXBJSLSLOST-UHFFFAOYSA-N;138.21;0.37;;;;;DOPC;MDCG;27;1;"MARTINI bead: SNd_SP1";;;;;;;0.04;;-4.6;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM435064;MM435064;C=CC1NC(CCC)C1C;LVKVYFZTNXGFPH-UHFFFAOYSA-N;139.24;1.95;;;;;DOPC;MDCG;27;1;"MARTINI bead: SC5_SNd";;;;;;;1.64;;-2.75;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM435065;MM435065;C#CCC(=O)C=CC1CC1;YQJMUYWDOCEQRC-UHFFFAOYSA-N;134.18;1.55;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_SC5";;;;;;;1.64;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM435066;MM435066;C=NN(C)C1CC1CC#N;BHMMWDWPAWAVGT-UHFFFAOYSA-N;137.19;0.84;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_SC5";;;;;;;0.81;;-0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM435067;MM435067;C#CC(C#CCNC)=CC;KCYPEDPUMGKGKC-UHFFFAOYSA-N;133.19;0.79;;;;;DOPC;MDCG;27;1;"MARTINI bead: P2_C4";;;;;;;1.09;;-1.91;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM435068;MM435068;C=CC=C1CCC(CO)O1;BMTDIJXTOVDBGJ-UHFFFAOYSA-N;140.18;1.23;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP1_SC5";;;;;;;0.81;;-0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM435069;MM435069;C=CC1NC(CCN)C1N;URQMDVMEVAIAHS-UHFFFAOYSA-N;141.22;-0.81;;;;;DOPC;MDCG;27;1;"MARTINI bead: SP3_SNd";;;;;;;-1.1;;-6.43;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM435070;MM435070;N=c1ccoc(=NN)nn1;NOLKUDNYNPKQBT-UHFFFAOYSA-N;139.12;-1.68;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP2_SP2";;;;;;;-1.34;;-4.31;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM435071;MM435071;CN(C=N)C1CC1NC=N;DUIHHLXMWHFOFA-UHFFFAOYSA-N;140.19;-0.14;;;;;DOPC;MDCG;27;1;"MARTINI bead: P2_SP1";;;;;;;-1.06;;-7.86;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM435072;MM435072;C#CCC(=C)C=CC1CO1;DKTAKWMAVLTAGJ-UHFFFAOYSA-N;134.18;1.52;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4_SNa";;;;;;;2.2;;0.34;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM435073;MM435073;C#CC(C#CCNC)=CF;BXYCLDZZRZYAKD-UHFFFAOYSA-N;137.16;0.7;;;;;DOPC;MDCG;27;1;"MARTINI bead: P2_C5";;;;;;;0.54;;-2.61;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM435074;MM435074;O=CC=C1CCC(CO)O1;YHLKAYNKNNCZGH-UHFFFAOYSA-N;142.15;0.24;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP1_SNa";;;;;;;0.04;;-2.54;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM435075;MM435075;C=CC1CC(CCN)N1C;VVHYMJNUEOCMPA-UHFFFAOYSA-N;140.23;0.59;;;;;DOPC;MDCG;27;1;"MARTINI bead: SNd_SP1";;;;;;;0.04;;-5.11;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM435076;MM435076;C#CC1(CN)C=CCN1C;SVTPLNYYLHZTQD-UHFFFAOYSA-N;136.2;-0.18;;;;;DOPC;MDCG;27;1;"MARTINI bead: SNd_SP1";;;;;;;0.04;;-4.25;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM435077;MM435077;C#CCC(=O)C=CC1CO1;VTKXRXCTKMPVCT-UHFFFAOYSA-N;136.15;0.53;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_SNa";;;;;;;0.87;;-2.22;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM435078;MM435078;N=CNC1CC1N(N)C=N;ZRKXFJPFLXNCGB-UHFFFAOYSA-N;141.18;-0.89;;;;;DOPC;MDCG;27;1;"MARTINI bead: P3_SP1";;;;;;;-1.93;;-8.28;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM435079;MM435079;C#CC(C#CCOC)=CC;HFAOATZPJDYAFW-UHFFFAOYSA-N;134.18;1.22;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_C4";;;;;;;2.2;;0.34;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM435080;MM435080;N#CC=C1CCC(CO)O1;AYEKXJLUYJVAQQ-UHFFFAOYSA-N;139.15;0.57;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP1_SNa";;;;;;;0.04;;-2.54;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM435081;MM435081;C=CC1(C=C)C=CCN1C;QIRKWRCQGBYZKR-UHFFFAOYSA-N;135.21;1.6;;;;;DOPC;MDCG;27;1;"MARTINI bead: SNd_SN0";;;;;;;1.17;;-2.14;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM435082;MM435082;C#CCC(=O)C=CN1CC1;NTSUDEXQUNNQIN-UHFFFAOYSA-N;135.17;0.41;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_SP1";;;;;;;0.04;;-2.54;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM435083;MM435083;C#CC(C)CC(O)C(C)C;RPLFVSMMVNGPJK-UHFFFAOYSA-N;140.23;1.66;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda_C4";;;;;;;2.2;;0.49;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM435084;MM435084;C#CC1COC(=N)N1N;OLTQJMDLUSDKPP-UHFFFAOYSA-N;125.13;-0.87;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP2_SP2";;;;;;;-1.34;;-4.31;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM435085;MM435085;C=CC=C1CCC(CF)O1;WHWYVEDPDGLOEV-UHFFFAOYSA-N;142.17;2.2;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNa_SC5";;;;;;;1.64;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM435086;MM435086;C#CC(C#CCOC)=CF;BIMHZISKDFOZSV-UHFFFAOYSA-N;138.14;1.12;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_C5";;;;;;;1.64;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM435087;MM435087;NN=C1CC(CF)CO1;CSJUYGPAARWDRX-UHFFFAOYSA-N;132.14;0.26;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNda_SNa";;;;;;;0.87;;-1.99;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM435088;MM435088;C=CC1(C#N)C=CCN1C;WIQDELRTLRTVNP-UHFFFAOYSA-N;134.18;0.94;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNd_SN0";;;;;;;1.17;;-1.04;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM435089;MM435089;CN1C(C#N)CC1CCF;WRZSKAHXCYJBPP-UHFFFAOYSA-N;142.18;0.94;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNa_SP1";;;;;;;0.04;;-2.54;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM435090;MM435090;C=NN(C)C1CC1NC=N;QAUQJTSMYZTUIU-UHFFFAOYSA-N;140.19;-0.13;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1_SP1";;;;;;;-0.79;;-6.92;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM435091;MM435091;O=CC=C1CCC(CF)O1;FBVWEZRFDFOUJA-UHFFFAOYSA-N;144.15;1.22;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNa_SNa";;;;;;;0.87;;-2.22;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM435092;MM435092;C#CC(C#CCCC)=NN;WYPVECZMDLAJDB-UHFFFAOYSA-N;134.18;0.74;;;;;DOPC;MDCG;27;0;"MARTINI bead: C3_P1";;;;;;;1.74;;0.29;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM435093;MM435093;C#CCC(=C)C=NN1CC1;YHHFCAZCHNFQDK-UHFFFAOYSA-N;134.18;0.87;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4_SP3";;;;;;;0.23;;-1.03;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM435094;MM435094;C#CC1(C=O)C=CCN1C;RLOXDICVLNIOQG-UHFFFAOYSA-N;135.17;0.06;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNd_SP1";;;;;;;0.04;;-2.63;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM435095;MM435095;CCCC1CN(C=N)C1C;LRVXYWXVWSWGGI-UHFFFAOYSA-N;140.23;1.71;;;;;DOPC;MDCG;27;1;"MARTINI bead: SN0_SNd";;;;;;;1.17;;-4.89;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM435096;MM435096;C=COC1CC1N(C)C=N;NOFPUUCCEFFBCZ-UHFFFAOYSA-N;140.19;0.83;;;;;DOPC;MDCG;27;1;"MARTINI bead: P2_SNa";;;;;;;-0.24;;-6.79;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM435097;MM435097;N#CC=C1CCC(CF)O1;MPTOAIBQKIJWCM-UHFFFAOYSA-N;141.15;1.54;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNa_SNa";;;;;;;0.87;;-2.22;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM435098;MM435098;CNc1non(NC)c1=O;FNMAMCQPBNXHLG-UHFFFAOYSA-N;144.13;-0.95;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNda_SP3";;;;;;;-1.1;;-3.97;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM435099;MM435099;C=C1CC=CC1(CC)CC;JBWBXVNKMFITST-UHFFFAOYSA-N;136.24;3.31;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC1_SC5";;;;;;;3.68;;0.46;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM435100;MM435100;COC1COC(=NN)C1;SZAHHYUMWGPMQG-UHFFFAOYSA-N;130.15;-0.31;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNa_SNda";;;;;;;0.87;;-1.99;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM435101;MM435101;CNCC1CN(C=N)C1C;JFZUCHBKGSREQQ-UHFFFAOYSA-N;141.22;0.13;;;;;DOPC;MDCG;27;1;"MARTINI bead: SP2_SNd";;;;;;;-0.24;;-6.91;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM435102;MM435102;C=NOC1CC1N(C)C=N;XSKUNTPASDNAEL-UHFFFAOYSA-N;141.17;0.3;;;;;DOPC;MDCG;27;1;"MARTINI bead: P2_SNa";;;;;;;-0.24;;-6.74;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM435103;MM435103;C=CC=C1CCC(OC)O1;LECSDPCWQREXOT-UHFFFAOYSA-N;140.18;1.84;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNa_SC5";;;;;;;1.64;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM435104;MM435104;C#CC(C#CCCC)=NO;JXALMUNKTSIVLC-UHFFFAOYSA-N;135.17;1.25;;;;;DOPC;MDCG;27;0;"MARTINI bead: C3_P1";;;;;;;1.74;;0.29;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM435105;MM435105;C=C1CC=CC1(CC)CN;FUZSSQYUTCTLHY-UHFFFAOYSA-N;137.23;1.86;;;;;DOPC;MDCG;27;1;"MARTINI bead: SC5_SC5";;;;;;;2.41;;-0.13;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM435106;MM435106;CC=CC(C)C=CC1CC1;QKDRNEBJINYLGH-UHFFFAOYSA-N;136.24;3.16;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1_SC5";;;;;;;3.68;;0.46;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM435107;MM435107;C=NN1CC(CCC)C1C;JWCNGGQOIZQFAP-UHFFFAOYSA-N;140.23;1.72;;;;;DOPC;MDCG;27;0;"MARTINI bead: SN0_SN0";;;;;;;1.47;;-0.05;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM435108;MM435108;C=NOC1CC1N(N)C=O;TWCYPJVOTVRWNE-UHFFFAOYSA-N;143.15;-0.91;;;;;DOPC;MDCG;27;0;"MARTINI bead: P4_SNa";;;;;;;-1.19;;-4.76;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM435109;MM435109;C#CC(C#CCOC)=NN;ULJZILHMMDTEBQ-UHFFFAOYSA-N;136.15;-0.42;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_Nd";;;;;;;0.87;;-1.88;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM435110;MM435110;COC1CCC(=CC#N)O1;QUQHSOIYXHOMGR-UHFFFAOYSA-N;139.15;1.18;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNa_SNa";;;;;;;0.87;;-2.22;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM435111;MM435111;C=CC1(CC)C=CCC1=C;FLHXTKOSMNQSEJ-UHFFFAOYSA-N;134.22;3.08;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC1_SC5";;;;;;;3.68;;0.46;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM435112;MM435112;C=CCC1CC(C=C)C1C;PPLIUUAPYZBXRN-UHFFFAOYSA-N;136.24;3.02;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC2_SC4";;;;;;;4.16;;0.44;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM435113;MM435113;CC=CC(N)C=CC1CC1;PDBOLXYISVXMPZ-UHFFFAOYSA-N;137.23;1.86;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_SC5";;;;;;;1.64;;-1.82;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM435114;MM435114;C=COC1CC1N(C)N=C;XWXVQMRMIKBONH-UHFFFAOYSA-N;140.19;0.83;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_SNa";;;;;;;0.04;;-2.54;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM435115;MM435115;C#CC(C#CCC=C)=CC;CQOASVFLCUMORQ-UHFFFAOYSA-N;130.19;2.15;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4_C5";;;;;;;2.97;;0.45;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM435116;MM435116;C=CC1(CN)C=CCC1=C;LJVWLEQVAXMIMS-UHFFFAOYSA-N;135.21;1.63;;;;;DOPC;MDCG;27;1;"MARTINI bead: SC5_SC5";;;;;;;2.41;;-0.09;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM435117;MM435117;C=CC=C1COC(CC)O1;FGHBCAMFOPKFDJ-UHFFFAOYSA-N;140.18;1.84;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNa_SNa";;;;;;;0.87;;-2.22;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM435118;MM435118;C=CCC1CC(C=O)C1C;HCRIKMNEMVJLBO-UHFFFAOYSA-N;138.21;2.03;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC2_SNa";;;;;;;2.83;;0.35;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM435119;MM435119;CC=CN(C)C=NC1CC1;YDKUDIBETQJCQY-UHFFFAOYSA-N;138.21;1.64;;;;;DOPC;MDCG;27;1;"MARTINI bead: C5_SP1";;;;;;;0.81;;-3.26;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM435120;MM435120;C=NOC1CC1N(C)N=C;HEOCQDITHGHUAG-UHFFFAOYSA-N;141.17;0.31;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_SNa";;;;;;;0.04;;-2.54;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM435121;MM435121;C#CC(C#CCC=O)=CC;OBMPUUPPWKLVSJ-UHFFFAOYSA-N;132.16;1.16;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4_Na";;;;;;;2.2;;0.34;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM435122;MM435122;C=C1CC=CC1(C#N)CO;COBQBJNHPPAWEZ-UHFFFAOYSA-N;135.17;1;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNda_SC5";;;;;;;1.64;;0.05;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM435123;MM435123;CCC1OCC(=CC#N)O1;VPNRLRJFAHDEQV-UHFFFAOYSA-N;139.15;1.18;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNa_SP1";;;;;;;0.04;;-2.54;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM435124;MM435124;C=CCC1NC(C=O)C1C;XZXLZALFIIHMNB-UHFFFAOYSA-N;139.2;0.74;;;;;DOPC;MDCG;27;1;"MARTINI bead: SN0_SP2";;;;;;;0.06;;-3.71;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM435125;MM435125;CC=NN(C)C=NC1CC1;PWSWTHOZBXSIFP-UHFFFAOYSA-N;139.2;1.11;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_SP1";;;;;;;-0.79;;-3.13;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM435126;MM435126;C=CCC1NC1C(C)C#N;GDFGUNGAIPOZRS-UHFFFAOYSA-N;136.2;1.06;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_SNd";;;;;;;0.04;;-2.63;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM435127;MM435127;C#CC(C#CCC#N)=CC;RPMOZZSWSZDKNB-UHFFFAOYSA-N;129.16;1.48;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4_N0";;;;;;;2.5;;0.44;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM435128;MM435128;C=CC1(NC)C=CCC1=C;WRKGZVMBKGZLST-UHFFFAOYSA-N;135.21;1.65;;;;;DOPC;MDCG;27;1;"MARTINI bead: SC5_SC5";;;;;;;2.41;;0.68;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM435129;MM435129;C=CC=C1COC(CN)O1;JXTSPKPFSBIDFL-UHFFFAOYSA-N;141.17;0.39;;;;;DOPC;MDCG;27;1;"MARTINI bead: SP2_SNa";;;;;;;-0.24;;-4.55;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM435130;MM435130;CCC1CCC(=NN)O1;JVPPNUWIVHQZCH-UHFFFAOYSA-N;128.18;0.85;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC5_SNda";;;;;;;1.64;;0.05;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM435131;MM435131;CC1C(C#N)NC1CC#N;WXOHGWOVNAPZJV-UHFFFAOYSA-N;135.17;0.4;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP1_SP2";;;;;;;-1.06;;-3.82;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM435132;MM435132;CC(C#N)C1NC1CC#N;GSBSECDUIABWCT-UHFFFAOYSA-N;135.17;0.4;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_SP2";;;;;;;-1.06;;-3.82;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM435133;MM435133;C#CC(C#CCC=C)=CF;QISHOJNMOMJIOB-UHFFFAOYSA-N;134.15;2.05;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_C5";;;;;;;2.41;;0.64;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM435134;MM435134;C=CC=C1COC(CO)O1;RCNFRWUSGQSKFR-UHFFFAOYSA-N;142.15;0.42;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP2_SNa";;;;;;;-0.24;;-3.24;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM435135;MM435135;N=c1ncoc(=NN)nn1;JQQROJJDYCLSQE-UHFFFAOYSA-N;140.11;-2.28;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP3_SP3";;;;;;;-3.07;;-6.15;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM435136;MM435136;CC(C)=NNC(C)CC#N;FMLACSGDRWRZBH-UHFFFAOYSA-N;139.2;1.27;;;;;DOPC;MDCG;27;0;"MARTINI bead: N0_Nd";;;;;;;1.17;;-1.04;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM435137;MM435137;C=CCC1NC1C(N)C=C;PFQOIAQVGKTHEP-UHFFFAOYSA-N;138.21;0.42;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1_SNd";;;;;;;0.04;;-4.3;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM435138;MM435138;C=C(C=CC)C=CC1CC1;GCIVEQNEXMNZCS-UHFFFAOYSA-N;134.22;3.08;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1_SC5";;;;;;;3.68;;0.46;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM435139;MM435139;C#CC(C#CCC=O)=CF;JBIASXPMVBFJMM-UHFFFAOYSA-N;136.13;1.07;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_Na";;;;;;;1.64;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM435140;MM435140;CCC1CNC(=CC#N)O1;VQJUZNIYNFGLHR-UHFFFAOYSA-N;138.17;0.75;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP1_SNda";;;;;;;0.04;;-2.73;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM435141;MM435141;C=CC1(CC)C=COC1=C;KIUILXMYKJYKFB-UHFFFAOYSA-N;136.19;2.63;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC4_SC5";;;;;;;2.97;;0.45;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM435142;MM435142;C#CC1CC(C#N)=NN1;GVARPMQGODQFDR-UHFFFAOYSA-N;119.13;-0.14;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP1_SP1";;;;;;;-0.79;;-3.13;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM435143;MM435143;CC=CC(=O)C=CC1CO1;MKLGWGGWXNNKOE-UHFFFAOYSA-N;138.17;1.09;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_SNa";;;;;;;1.64;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM435144;MM435144;CN1C(C#N)CC1CC#N;GQKMWAKNDBDEHZ-UHFFFAOYSA-N;135.17;0.5;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNd_SP2";;;;;;;-0.24;;-3.16;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM435145;MM435145;C#CC(C#CCC#N)=CF;LGJMDKWPXHUCCQ-UHFFFAOYSA-N;133.13;1.39;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_N0";;;;;;;1.94;;0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM435146;MM435146;NN=CON=CC1CC1;AYMZOZCMMJVXMV-UHFFFAOYSA-N;127.15;0.3;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_SC5";;;;;;;0.54;;-1.09;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM435147;MM435147;C#CC1(OC)C=CCC1=C;FCXAYDFNKPMLRN-UHFFFAOYSA-N;134.18;1.52;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC5_SC5";;;;;;;2.41;;0.64;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM435148;MM435148;C=NNC=NCCOC;OYBYPRRBFQUYBG-UHFFFAOYSA-N;129.16;-0.13;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_P2";;;;;;;-0.24;;-3.24;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM435149;MM435149;C=CCC1CN(C=N)C1C;HZGRKEANNILDAQ-UHFFFAOYSA-N;138.21;1.49;;;;;DOPC;MDCG;27;1;"MARTINI bead: SN0_SNd";;;;;;;1.17;;-4.88;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM435150;MM435150;CC=CC(=O)C=CN1CC1;AHASTJAQXFZILP-UHFFFAOYSA-N;137.18;0.96;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_SP1";;;;;;;0.81;;-0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM435151;MM435151;C#CC(C#CCC=C)=NN;ZVCJZYXXEVGTJE-UHFFFAOYSA-N;132.17;0.51;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_C5";;;;;;;0.81;;-0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM435152;MM435152;CCN=C1C=NC(=NN)N1;KQBSXQOMZQEGFH-UHFFFAOYSA-N;139.16;-0.69;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNd_SP2";;;;;;;-0.24;;-3.16;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM435153;MM435153;COC1CNC(=CC#N)O1;MQTJLAKTLNAGKW-UHFFFAOYSA-N;140.14;-0.06;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP2_SNda";;;;;;;-0.24;;-3.31;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM435154;MM435154;N#CCC1NC1C(O)C#N;WHVSKAUJQKFMEB-UHFFFAOYSA-N;137.14;-0.88;;;;;DOPC;MDCG;27;0;"MARTINI bead: P3_SP2";;;;;;;-2.2;;-5.19;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM435155;MM435155;CC1C(CC#N)CN1C=N;OPYSGHODNIZRHD-UHFFFAOYSA-N;137.19;0.83;;;;;DOPC;MDCG;27;1;"MARTINI bead: SP1_SNd";;;;;;;0.04;;-6.42;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM435156;MM435156;C#CC(C#CCC=C)=NO;RJUGVGLSWMUQFO-UHFFFAOYSA-N;133.15;1.03;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_C5";;;;;;;0.81;;-0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM435157;MM435157;NC=CC(=O)C=CN1CC1;WQGGOHNFHFLKSC-UHFFFAOYSA-N;138.17;-0.14;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_SP1";;;;;;;-1.06;;-3.82;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM435158;MM435158;CCC1(CC)CCC=C1C;MZUSXLBDFCRZDU-UHFFFAOYSA-N;138.25;3.53;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC1_SC4";;;;;;;4.24;;0.42;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM435159;MM435159;C=CC=C1CCN(CC)C1;JGOLSVUDIXEDAC-UHFFFAOYSA-N;137.23;1.82;;;;;DOPC;MDCG;27;1;"MARTINI bead: SNd_SN0";;;;;;;1.17;;-3.01;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM435160;MM435160;C=CCC1NC1C(F)C=C;JWTCZXVCTUCSQB-UHFFFAOYSA-N;141.19;1.43;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_SNd";;;;;;;0.87;;-1.88;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM435161;MM435161;C=CCC1CN(C=O)C1C;AQEUECJFBRFWBP-UHFFFAOYSA-N;139.2;1.04;;;;;DOPC;MDCG;27;0;"MARTINI bead: SN0_SNda";;;;;;;1.17;;-1.13;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM435162;MM435162;C#CC(C#CCC#N)=NO;JRBIWNNGWHBILK-UHFFFAOYSA-N;132.12;0.37;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_N0";;;;;;;0.34;;-1.53;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM435163;MM435163;NN=C1CCC(CF)O1;UVSZVUSRAGRTKI-UHFFFAOYSA-N;132.14;0.41;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNda_SNa";;;;;;;0.87;;-1.99;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM435164;MM435164;CCC1(CN)CCC=C1C;UWEPKNPGYYWGBB-UHFFFAOYSA-N;139.24;2.08;;;;;DOPC;MDCG;27;1;"MARTINI bead: SC5_SC4";;;;;;;2.97;;0.23;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM435165;MM435165;CCN1CCC(NC=N)=N1;BKTKINHYLAMSBG-UHFFFAOYSA-N;140.19;0.22;;;;;DOPC;MDCG;27;1;"MARTINI bead: SN0_SP2";;;;;;;0.06;;-3.33;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM435166;MM435166;C#CCC#CC(C#C)=CC;ABDCCEFKQWHJCH-UHFFFAOYSA-N;128.17;1.59;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4_N0";;;;;;;2.5;;0.44;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM435168;MM435168;C=CC(F)C1NC1CC#N;GCPXDMJNUYUPPE-UHFFFAOYSA-N;140.16;0.76;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_SP2";;;;;;;-0.24;;-3.24;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM435167;MM435167;C=CCC1CN(N=C)C1C;SBRJKUXIOAZKCA-UHFFFAOYSA-N;138.21;1.5;;;;;DOPC;MDCG;27;0;"MARTINI bead: SN0_SN0";;;;;;;1.47;;-0.05;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM435169;MM435169;CC=CC(=O)C=NN1CC1;LNZGAWXTYCFMTB-UHFFFAOYSA-N;138.17;0.43;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_SP3";;;;;;;-0.33;;-2.01;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM435170;MM435170;CCC1(NC)CCC=C1C;AIWXJKCXXAXYOJ-UHFFFAOYSA-N;139.24;2.09;;;;;DOPC;MDCG;27;1;"MARTINI bead: SC5_SC4";;;;;;;2.97;;-0.05;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM435171;MM435171;C#CCC#CC(C#C)=CF;ZXPOMSQWJALFGU-UHFFFAOYSA-N;132.14;1.5;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_N0";;;;;;;1.94;;0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM435172;MM435172;C#CC=C1CCC(CC)C1;AWPRNJOQXWFUSX-UHFFFAOYSA-N;134.22;2.76;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC1_SC4";;;;;;;4.24;;0.42;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM435173;MM435173;C=NN1CC(CC#N)C1C;YJWGZPJSPXKUFI-UHFFFAOYSA-N;137.19;0.84;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP1_SN0";;;;;;;0.34;;-1.53;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM435174;MM435174;C=CCC1OC1C(C)C=C;JVVQTAGJZFFQBD-UHFFFAOYSA-N;138.21;2.15;;;;;DOPC;MDCG;27;0;"MARTINI bead: C3_SNa";;;;;;;2.57;;0.45;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM435175;MM435175;CC#CC(C)C=CC1CC1;OWXDRGZSSMZLFC-UHFFFAOYSA-N;134.22;2.61;;;;;DOPC;MDCG;27;0;"MARTINI bead: C2_SC5";;;;;;;3.6;;0.34;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM435176;MM435176;C#CC=C1CCC(CN)C1;IVPDYNZLGKWFTL-UHFFFAOYSA-N;135.21;1.3;;;;;DOPC;MDCG;27;1;"MARTINI bead: SC5_SC4";;;;;;;2.97;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM435177;MM435177;CC=CC#CC(=CC)CC;IFNWBFCTLJSFGC-UHFFFAOYSA-N;134.22;2.92;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1_C4";;;;;;;4.24;;0.42;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM435178;MM435178;CNC1(CN)CCC=C1C;XRVVZOARDQUPJE-UHFFFAOYSA-N;140.23;0.64;;;;;DOPC;MDCG;27;1;"MARTINI bead: SP1_SC4";;;;;;;1.37;;-2.33;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM435179;MM435179;CC1C(NC=N)CN1C=O;NOQUPPCAJIDRQG-UHFFFAOYSA-N;141.17;-0.59;;;;;DOPC;MDCG;27;1;"MARTINI bead: SP2_SNda";;;;;;;-0.24;;-6.8;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM435180;MM435180;C=CC(C)C1OC1CC=O;ULUSCYOCSLAMCZ-UHFFFAOYSA-N;140.18;1.16;;;;;DOPC;MDCG;27;0;"MARTINI bead: C3_SP1";;;;;;;1.74;;0.29;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM435181;MM435181;CC#CC(N)C=CC1CN1;IXFYKWQIMMOEAW-UHFFFAOYSA-N;136.2;-0.14;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_SP1";;;;;;;0.04;;-3.83;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM435182;MM435182;CC=C(C#CC=CF)CC;IBRDOEOGQGOARH-UHFFFAOYSA-N;138.19;2.83;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1_C5";;;;;;;3.68;;0.46;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM435183;MM435183;NN=CON=CC1CN1;GSMXVSKDEFMGCC-UHFFFAOYSA-N;128.14;-1.14;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_SP1";;;;;;;-1.06;;-3.82;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM435184;MM435184;C=COC1CN(N=C)C1C;CBOAUJZPANTKJN-UHFFFAOYSA-N;140.19;0.83;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP1_SN0";;;;;;;0.34;;-1.53;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM435185;MM435185;CCC1(OC)CCC=C1C;OZMWNSFXLWBXRV-UHFFFAOYSA-N;140.23;2.52;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC4_SC4";;;;;;;3.53;;0.53;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM435186;MM435186;C=CC(C)C1OC1CC#N;QHMQLJLZQUXRGJ-UHFFFAOYSA-N;137.18;1.49;;;;;DOPC;MDCG;27;0;"MARTINI bead: C3_SNa";;;;;;;2.57;;0.45;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM435187;MM435187;C=C(C#CC)C=CC1CC1;IBOPJZDTARSNOS-UHFFFAOYSA-N;132.21;2.53;;;;;DOPC;MDCG;27;0;"MARTINI bead: C3_SC5";;;;;;;3.34;;0.48;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM435188;MM435188;CC=CC#CC(=CF)CC;NJIXMLBNLKTAQQ-UHFFFAOYSA-N;138.19;2.83;;;;;DOPC;MDCG;27;0;"MARTINI bead: C3_C4";;;;;;;3.9;;0.47;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM435189;MM435189;C#CC=C1CCC(CF)C1;CEKLNZNXFCXPRH-UHFFFAOYSA-N;138.19;2.32;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC3_SC4";;;;;;;3.9;;0.47;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM435190;MM435190;C=CC1CN(NC=N)C1C;FXVSGGFNYBFINK-UHFFFAOYSA-N;139.2;0.6;;;;;DOPC;MDCG;27;1;"MARTINI bead: SP1_SP2";;;;;;;-1.06;;-6.68;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM435191;MM435191;CCC1(NC)COC=C1C;IQCHBRLKDUPNBN-UHFFFAOYSA-N;141.21;1.29;;;;;DOPC;MDCG;27;1;"MARTINI bead: SNd_SNa";;;;;;;0.87;;-3.72;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM435192;MM435192;C=CCC1OC1C(C)C=O;TYXHGSHXAIMJPR-UHFFFAOYSA-N;140.18;1.16;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_SNa";;;;;;;0.87;;-2.22;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM435193;MM435193;CC#CC(=O)C=CC1CC1;PAKLQVQTGOSMIU-UHFFFAOYSA-N;134.18;1.55;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_SC5";;;;;;;1.64;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM435194;MM435194;CCC(C#CC=CF)=CF;TYQWKPFKHVDENX-UHFFFAOYSA-N;142.15;2.74;;;;;DOPC;MDCG;27;0;"MARTINI bead: C3_C5";;;;;;;3.34;;0.48;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM435195;MM435195;CC1C(C=O)CN1N=CN;ZYNVAZDPCKVABS-UHFFFAOYSA-N;141.17;-0.59;;;;;DOPC;MDCG;27;1;"MARTINI bead: SP2_SP1";;;;;;;-1.06;;-5.17;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM435196;MM435196;CCC1(OC)CNN=C1C;YXKRLHPGERPCLW-UHFFFAOYSA-N;142.2;0.76;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNa_SP1";;;;;;;0.04;;-2.54;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM435197;MM435197;C#CC=C1CCC(NC)C1;RFYQZTWOSJCIGF-UHFFFAOYSA-N;135.21;1.32;;;;;DOPC;MDCG;27;1;"MARTINI bead: SNd_SC4";;;;;;;2.2;;-2.55;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM435198;MM435198;C=C(C#CC)C=CC1CO1;MLQPHHIAKJPBON-UHFFFAOYSA-N;134.18;1.52;;;;;DOPC;MDCG;27;0;"MARTINI bead: C3_SNa";;;;;;;2.57;;0.45;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM435199;MM435199;C=CCC1OC1C(N)C=C;LRZOLDHBBMYAKK-UHFFFAOYSA-N;139.2;0.84;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1_SNa";;;;;;;0.04;;-4.25;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM435200;MM435200;C#CCC1CC(C=O)C1C;MLBJLVPDTDPROT-UHFFFAOYSA-N;136.19;1.48;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC3_SNa";;;;;;;2.57;;0.45;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM435201;MM435201;CC=CC#CC(=CC)CN;BDNWMZVOUCASQX-UHFFFAOYSA-N;135.21;1.47;;;;;DOPC;MDCG;27;1;"MARTINI bead: C4_Nd";;;;;;;2.2;;-1.17;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM435202;MM435202;CCC1(CN)CON=C1C;HNIXGTJQKWRBIP-UHFFFAOYSA-N;142.2;0.75;;;;;DOPC;MDCG;27;1;"MARTINI bead: SNd_SNa";;;;;;;0.87;;-4.26;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM435203;MM435203;C#CC=C1CCC(OC)C1;CSVJLIUDTCLOJE-UHFFFAOYSA-N;136.19;1.74;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC5_SC4";;;;;;;2.97;;0.45;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM435204;MM435204;C=C(C#CC)C=NN1CC1;IEMGPQXKYKSBAR-UHFFFAOYSA-N;134.18;0.87;;;;;DOPC;MDCG;27;0;"MARTINI bead: C3_SP3";;;;;;;0.6;;-0.8;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM435205;MM435205;C=CCC1OC1C(F)C=O;HPRCHAUDZKXXHK-UHFFFAOYSA-N;144.15;0.87;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_SNa";;;;;;;-0.24;;-3.24;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM435206;MM435206;C#CCC1CC(C#N)C1C;KEQRFKNXLRTXGD-UHFFFAOYSA-N;133.19;1.81;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC3_SN0";;;;;;;2.87;;0.37;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM435207;MM435207;CC=C(C#CC=CF)CN;CISBDVSYVKYIRY-UHFFFAOYSA-N;139.17;1.38;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_C5";;;;;;;1.64;;-1.63;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM435208;MM435208;CCC1(CN)NCC=C1C;LXTKXLRTCHXMRW-UHFFFAOYSA-N;140.23;0.64;;;;;DOPC;MDCG;27;1;"MARTINI bead: SP1_SP1";;;;;;;-0.79;;-6.35;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM435209;MM435209;CCC=C(C)C=CC1CC1;LZMGPUDGESQMPI-UHFFFAOYSA-N;136.24;3.31;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1_SC5";;;;;;;3.68;;0.46;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM435210;MM435210;C#CC=C1CNC(CC)C1;XZMYVVXPNWFPLA-UHFFFAOYSA-N;135.21;1.32;;;;;DOPC;MDCG;27;1;"MARTINI bead: SNd_SN0";;;;;;;1.17;;-4.21;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM435211;MM435211;CC=CC#CC(=CF)CN;JLLQYDGIKBNWOC-UHFFFAOYSA-N;139.17;1.38;;;;;DOPC;MDCG;27;1;"MARTINI bead: C4_P1";;;;;;;1.37;;-1.56;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM435212;MM435212;N#CCC1OC1C(F)C=O;VIICGAIQOXZYCG-UHFFFAOYSA-N;143.12;0.2;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_SNa";;;;;;;-0.24;;-3.24;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM435213;MM435213;C#CCC1OC(C#N)C1C;AABVHUUYIJGLCG-UHFFFAOYSA-N;135.17;0.94;;;;;DOPC;MDCG;27;0;"MARTINI bead: SN0_SNa";;;;;;;1.17;;-1.18;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM435214;MM435214;CC(C=CC1CC1)=CCN;VEGFJSNIVSPENZ-UHFFFAOYSA-N;137.23;1.86;;;;;DOPC;MDCG;27;1;"MARTINI bead: C5_SC5";;;;;;;2.41;;0.02;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM435215;MM435215;C=CC1(CC)CCC=C1C;QKRROXHKLXGLLL-UHFFFAOYSA-N;136.24;3.31;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC1_SC4";;;;;;;4.24;;0.42;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM435216;MM435216;C#CC=C1CNC(CN)C1;LPYLUBIMNRAECT-UHFFFAOYSA-N;136.2;-0.13;;;;;DOPC;MDCG;27;1;"MARTINI bead: SP1_SN0";;;;;;;0.34;;-4.21;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM435217;MM435217;NCC(C#CC=CF)=CF;PEQHHWNKWDQWEW-UHFFFAOYSA-N;143.14;1.29;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1_C5";;;;;;;0.81;;-2.1;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM435218;MM435218;N#CCC1OC1C(F)C#N;NHHOKPJKMGEBKH-UHFFFAOYSA-N;140.12;0.53;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_SNa";;;;;;;0.87;;-2.22;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM435219;MM435219;C#CCC1OC(C=C)C1N;GAGBXSCPBHFSAI-UHFFFAOYSA-N;137.18;0.29;;;;;DOPC;MDCG;27;1;"MARTINI bead: SP1_SN0";;;;;;;0.34;;-2.87;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM435220;MM435220;C=CC1(CN)CCC=C1C;BRUGLKPZYVYOGJ-UHFFFAOYSA-N;137.23;1.86;;;;;DOPC;MDCG;27;1;"MARTINI bead: SC4_SC5";;;;;;;2.97;;0.26;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM435221;MM435221;CC(C=CC1CN1)=CCN;UDDJPWIUQPUYKA-UHFFFAOYSA-N;138.21;0.42;;;;;DOPC;MDCG;27;1;"MARTINI bead: C5_SP1";;;;;;;0.81;;-2.72;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM435222;MM435222;CC=CC#CC(=CC)CO;QTZFDJXTAINFJV-UHFFFAOYSA-N;136.19;1.5;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4_Nda";;;;;;;2.2;;0.49;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM435223;MM435223;C#CC=C1CNC(CO)C1;FBIYUZUBIPBAFJ-UHFFFAOYSA-N;137.18;-0.1;;;;;DOPC;MDCG;27;1;"MARTINI bead: SP1_SN0";;;;;;;0.34;;-3.97;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM435224;MM435224;C=NNC=NCC=CF;DSCVKKRCGOCEEH-UHFFFAOYSA-N;129.14;0.7;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_P1";;;;;;;0.81;;-0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM435225;MM435225;C#CCC1CC(C#N)N1C;IVLLGLFPGMLISD-UHFFFAOYSA-N;134.18;0.61;;;;;DOPC;MDCG;27;0;"MARTINI bead: SN0_SP1";;;;;;;0.34;;-1.53;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM435226;MM435226;C=CC1(NC)CCC=C1C;SHTTZPXKNGOSHT-UHFFFAOYSA-N;137.23;1.87;;;;;DOPC;MDCG;27;1;"MARTINI bead: SC5_SC4";;;;;;;2.97;;0.53;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM435227;MM435227;CCC=C(C)C=CC1CO1;NUHBRHPSJRYXBA-UHFFFAOYSA-N;138.21;2.3;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1_SNa";;;;;;;2.91;;0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM435228;MM435228;C#CC=C1CNC(CF)C1;RJZXUUXPEMKAPD-UHFFFAOYSA-N;139.17;0.88;;;;;DOPC;MDCG;27;1;"MARTINI bead: SNda_SN0";;;;;;;1.17;;-2.62;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM435229;MM435229;CC=C(C#CC=CF)CO;KGLSRSUUTXJJDG-UHFFFAOYSA-N;140.16;1.41;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda_C5";;;;;;;1.64;;0.05;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM435230;MM435230;C#CCC1CN(C=O)C1C;DMFWHLZPBSSWIL-UHFFFAOYSA-N;137.18;0.49;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP1_SNda";;;;;;;0.04;;-2.73;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM435231;MM435231;C=CC(C)C1CN1CC#N;YHTQQVGLMJBLMM-UHFFFAOYSA-N;136.2;1.02;;;;;DOPC;MDCG;27;0;"MARTINI bead: C3_SP1";;;;;;;1.74;;0.29;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM435232;MM435232;CC(C=CC1CO1)=CCN;CTVQUDCEULUOIK-UHFFFAOYSA-N;139.2;0.85;;;;;DOPC;MDCG;27;1;"MARTINI bead: C5_SNa";;;;;;;1.64;;-2.17;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM435233;MM435233;CNC1(C#N)CCC=C1C;MREDLSALJBQEPO-UHFFFAOYSA-N;136.2;1.21;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNd_SC4";;;;;;;2.2;;0.32;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM435234;MM435234;C#CC=C1COC(CC)C1;XVQMQKXIKZDUKT-UHFFFAOYSA-N;136.19;1.74;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC5_SN0";;;;;;;1.94;;0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM435235;MM435235;OCC(C#CC=CF)=CF;FPWHHXQHZHSLQI-UHFFFAOYSA-N;144.12;1.32;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda_C5";;;;;;;1.64;;0.05;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM435236;MM435236;C#CCC1CN(N=C)C1C;BTYNBQJDTUWMMW-UHFFFAOYSA-N;136.2;0.95;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP1_SN0";;;;;;;0.34;;-1.53;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM435237;MM435237;C=CCN1CC1C(C)C#N;UPCGLCBCHPWDSW-UHFFFAOYSA-N;136.2;1.02;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_SNd";;;;;;;0.04;;-2.63;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM435238;MM435238;COC1(C#N)CCC=C1C;VNIYNUXWAZMERG-UHFFFAOYSA-N;137.18;1.64;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNa_SC4";;;;;;;2.2;;0.34;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM435239;MM435239;CCC=C(C)C=NN1CC1;HQIKKFSPPUMARQ-UHFFFAOYSA-N;138.21;1.64;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1_SP3";;;;;;;0.94;;0.03;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM435240;MM435240;C#CC=C1COC(CN)C1;YIAIMZZHGUHZEP-UHFFFAOYSA-N;137.18;0.29;;;;;DOPC;MDCG;27;1;"MARTINI bead: SP1_SN0";;;;;;;0.34;;-3.6;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM435241;MM435241;CC=CC#CC(=CC)CF;NTTXQIPJZPFKAI-UHFFFAOYSA-N;138.19;2.48;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4_C4";;;;;;;3.53;;0.53;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM435242;MM435242;C#CC1CC(CCN)N1C;MVHRHXOGJXUSDX-UHFFFAOYSA-N;138.21;0.04;;;;;DOPC;MDCG;27;1;"MARTINI bead: SP1_SP1";;;;;;;-0.79;;-5.6;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM435243;MM435243;CC(C#N)C1CN1CC#N;FFHGTCDZPZKSTK-UHFFFAOYSA-N;135.17;0.35;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_SP1";;;;;;;-0.79;;-3.13;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM435244;MM435244;CCC1(C=O)COC=C1C;BZDVXXRXMGYIQB-UHFFFAOYSA-N;140.18;1.52;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNa_SNa";;;;;;;0.87;;-2.22;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM435245;MM435245;C=CC=C(C)C=CC1CC1;WWHIQZPBBCMJGJ-UHFFFAOYSA-N;134.22;3.08;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1_SC5";;;;;;;3.68;;0.46;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM435246;MM435246;C#CC=C1COC(CO)C1;ICDAGFMKJDPJHF-UHFFFAOYSA-N;138.17;0.33;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP1_SN0";;;;;;;0.34;;-1.53;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM435247;MM435247;CC=C(C#CC=CF)CF;WPRJPAFYNQQQQA-UHFFFAOYSA-N;142.15;2.39;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4_C5";;;;;;;2.97;;0.45;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM435248;MM435248;C#CC1CC(CNC)N1C;YBBTVBQBQNFONP-UHFFFAOYSA-N;138.21;-0.09;;;;;DOPC;MDCG;27;1;"MARTINI bead: SP1_SP1";;;;;;;-0.79;;-5.74;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM435249;MM435249;C=CCN1CC1C(N)C=C;OZDCLWWSFOTMEQ-UHFFFAOYSA-N;138.21;0.37;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1_SNd";;;;;;;0.04;;-4.29;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM435250;MM435250;C=CC1(OC)COC=C1C;OJOUGZKUENWLAZ-UHFFFAOYSA-N;140.18;1.49;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNa_SNa";;;;;;;0.87;;-2.22;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM435251;MM435251;C#CC=C1COC(CF)C1;PZORLONTASGIBJ-UHFFFAOYSA-N;140.16;1.3;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNa_SN0";;;;;;;1.17;;-1.18;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM435252;MM435252;N#CC=C(N)C=CC1CC1;SWSCRKPHAOKKSB-UHFFFAOYSA-N;134.18;1.32;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nd_SC5";;;;;;;1.64;;0.02;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM435253;MM435253;CC=CC#CC(=CF)CF;WNHAOEZMJRWMOR-UHFFFAOYSA-N;142.15;2.39;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4_C5";;;;;;;2.97;;0.45;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM435254;MM435254;CC(N)=C(F)C(=O)C(=N)N;STVNDLXQNKGZDZ-UHFFFAOYSA-N;145.14;-0.35;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda_P3";;;;;;;-1.1;;-3.97;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM435255;MM435255;N#CC(O)C1CN1CC=O;QDBBYZIVXDHZIP-UHFFFAOYSA-N;140.14;-1.25;;;;;DOPC;MDCG;27;0;"MARTINI bead: P3_SP1";;;;;;;-1.93;;-4.72;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM435256;MM435256;C=CC1(CC)CNN=C1C;GILSBQPNTUFHJF-UHFFFAOYSA-N;138.21;1.55;;;;;DOPC;MDCG;27;0;"MARTINI bead: SN0_SP1";;;;;;;0.34;;-1.53;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM435257;MM435257;N#CC=C(F)C=CC1CC1;GCHHGUUFXULGHW-UHFFFAOYSA-N;137.16;2.33;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_SC5";;;;;;;2.41;;0.64;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM435258;MM435258;C#CC=C1COC(OC)C1;ISYOHRGMSOMKTR-UHFFFAOYSA-N;138.17;0.94;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNa_SN0";;;;;;;1.17;;-1.18;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM435259;MM435259;FC=CC#CC(=CF)CF;OURCUPPOEZDIMC-UHFFFAOYSA-N;146.11;2.3;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_C5";;;;;;;2.41;;0.64;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM435260;MM435260;C#CC1CC(CC#N)C1F;SGNKDYMYFWXZQY-UHFFFAOYSA-N;137.16;1.51;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC5_SNa";;;;;;;1.64;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM435261;MM435261;N#CCN1CC1C(O)C=O;MICVJHCXDZUOBH-UHFFFAOYSA-N;140.14;-1.25;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_SP1";;;;;;;-1.06;;-3.82;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM435262;MM435262;C=CC1(CC)CON=C1C;RDAQDTWENNWDTP-UHFFFAOYSA-N;139.2;1.97;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC5_SNa";;;;;;;1.64;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM435263;MM435263;CC(C=CC1CO1)=CC#N;TXFJMXWCWZRVNU-UHFFFAOYSA-N;135.17;1.41;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_SNa";;;;;;;1.64;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM435264;MM435264;C#CC=C1CC(CC)CO1;CGLQPJRGGWIWOM-UHFFFAOYSA-N;136.19;1.95;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC5_SNa";;;;;;;1.64;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM435265;MM435265;CC=C(C#CC=NN)CC;PYHHTMRTIZQUHX-UHFFFAOYSA-N;136.2;1.29;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1_P1";;;;;;;2.08;;0.48;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM435266;MM435266;C#CC1NC(CC=C)C1C;QJHXDRATPPICOI-UHFFFAOYSA-N;135.21;1.17;;;;;DOPC;MDCG;27;1;"MARTINI bead: SN0_SP2";;;;;;;0.06;;-4.41;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM435267;MM435267;C=CC(F)C1CN1CC#N;NMGIHQWUPVYYLL-UHFFFAOYSA-N;140.16;0.72;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_SP1";;;;;;;0.04;;-2.54;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM435268;MM435268;CCC1(C=O)CON=C1C;QJIDNHWUSDHUHG-UHFFFAOYSA-N;141.17;0.99;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNa_SNa";;;;;;;0.87;;-2.22;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM435269;MM435269;CC(=CC#N)N=CN1CC1;KXEZLSVYFDXKKV-UHFFFAOYSA-N;135.17;0.76;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1_SP1";;;;;;;-0.79;;-4.31;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM435270;MM435270;C#CC=C1CC(CN)CO1;XNGHQUXHVKCJGF-UHFFFAOYSA-N;137.18;0.5;;;;;DOPC;MDCG;27;1;"MARTINI bead: SP1_SNa";;;;;;;0.04;;-5.26;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM435271;MM435271;CC=C(C#CC=NO)CC;GHOCFWGCNBUFLE-UHFFFAOYSA-N;137.18;1.81;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1_P1";;;;;;;2.08;;0.48;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM435272;MM435272;C#CC1NC(CC=O)C1C;JTCIGBJSIAVXAL-UHFFFAOYSA-N;137.18;0.19;;;;;DOPC;MDCG;27;1;"MARTINI bead: SNda_SP2";;;;;;;-0.24;;-4.89;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM435273;MM435273;C=NNC=NC=CCC;UPUOJEVKPRSGEG-UHFFFAOYSA-N;125.18;1.14;;;;;DOPC;MDCG;27;0;"MARTINI bead: C3_P2";;;;;;;1.46;;-0.15;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM435274;MM435274;C=CC1(CC)NCC=C1C;CUCYNSMGHSPRIT-UHFFFAOYSA-N;137.23;1.87;;;;;DOPC;MDCG;27;1;"MARTINI bead: SC5_SP1";;;;;;;0.81;;-3.45;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM435275;MM435275;N#CC=C(N)N=CN1CC1;SGLNLGRHWRRZIB-UHFFFAOYSA-N;136.16;-0.35;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1_SP1";;;;;;;-0.79;;-5.74;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM435276;MM435276;C#CC=C1CC(CO)CO1;CIEDRXUJEVONJB-UHFFFAOYSA-N;138.17;0.53;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP1_SNa";;;;;;;0.04;;-2.54;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM435277;MM435277;CCC(C#CC=NN)=CF;OSFBHOYIJHXMQZ-UHFFFAOYSA-N;140.16;1.2;;;;;DOPC;MDCG;27;0;"MARTINI bead: C3_P1";;;;;;;1.74;;0.29;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM435278;MM435278;C#CC1NC(CC=C)C1N;YBHABAWKNJBUFU-UHFFFAOYSA-N;136.2;-0.14;;;;;DOPC;MDCG;27;1;"MARTINI bead: SP1_SP2";;;;;;;-1.06;;-5.32;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM435279;MM435279;C=CC(O)C1CN1NC=N;OPOXUDXFGBBYQB-UHFFFAOYSA-N;141.17;-0.67;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nda_SP3";;;;;;;-1.1;;-6.74;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM435280;MM435280;N=Cn1nc(CF)c(=O)o1;AOERJLVQBXXAMJ-UHFFFAOYSA-N;145.09;-0.24;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP2_SP3";;;;;;;-2.2;;-5.19;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM435281;MM435281;C=CC=C(C)C=NN1CC1;QJETXOLNVYATDE-UHFFFAOYSA-N;136.2;1.42;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1_SP3";;;;;;;0.94;;0.03;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM435282;MM435282;C#CC=C1CC(CF)CO1;SKRJOUUKSBCBOM-UHFFFAOYSA-N;140.16;1.51;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNa_SNa";;;;;;;0.87;;-2.22;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM435283;MM435283;CCC(C#CC=NO)=CF;ATQMASQELOPCGH-UHFFFAOYSA-N;141.15;1.71;;;;;DOPC;MDCG;27;0;"MARTINI bead: C3_P1";;;;;;;1.74;;0.29;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM435284;MM435284;C#CC1CC(CC=C)N1C;PRKUAWDPLLXDTB-UHFFFAOYSA-N;135.21;1.27;;;;;DOPC;MDCG;27;1;"MARTINI bead: SN0_SP1";;;;;;;0.34;;-2.71;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM435285;MM435285;C=CC1(C=C)CCC=C1C;CJXKJPFWLANCHS-UHFFFAOYSA-N;134.22;3.08;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC4_SC2";;;;;;;4.16;;0.44;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM435286;MM435286;N=CNN1CC1C(F)C=O;MITJVRYZDHZGBP-UHFFFAOYSA-N;145.14;-0.68;;;;;DOPC;MDCG;27;1;"MARTINI bead: P2_SP3";;;;;;;-2.2;;-7.96;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM435287;MM435287;C#CC=C(F)C=CC1CC1;AOTXKBQNITUEIW-UHFFFAOYSA-N;136.17;2.44;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4_SC5";;;;;;;2.97;;0.45;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM435288;MM435288;C#CC=C1CC(NC)CO1;AHFBLVQHRSJAHI-UHFFFAOYSA-N;137.18;0.51;;;;;DOPC;MDCG;27;1;"MARTINI bead: SP1_SNa";;;;;;;0.04;;-4.73;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM435289;MM435289;N#CC1=C(N)C(C=O)NC1;AYVTZYUBKMLMSR-UHFFFAOYSA-N;137.14;-1.11;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP2_SP2";;;;;;;-1.34;;-4.31;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM435290;MM435290;C#CC1CC(CC#N)N1C;IMHQCGLFVAAIPU-UHFFFAOYSA-N;134.18;0.61;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP1_SP1";;;;;;;-0.79;;-3.13;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM435291;MM435291;C=CC1(C=C)CON=C1C;NMHSQOLYAUNENF-UHFFFAOYSA-N;137.18;1.75;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNa_SC5";;;;;;;1.64;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM435292;MM435292;CC1C2CC1(O)CC2(C)C;UMZWQGNFUVQSMI-UHFFFAOYSA-N;140.23;1.8;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNda_SC2";;;;;;;2.83;;0.57;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM435293;MM435293;C#CC=C1CC(OC)CO1;WMKQZNQLNQLRKW-UHFFFAOYSA-N;138.17;0.94;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNa_SNa";;;;;;;0.87;;-2.22;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM435294;MM435294;C#CC=C(C)C=CC1CO1;NNJXTAXKXRFKIU-UHFFFAOYSA-N;134.18;1.52;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4_SNa";;;;;;;2.2;;0.34;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM435295;MM435295;CC=C(C#CC=NO)CO;BEPWMQYQISVZPF-UHFFFAOYSA-N;139.15;0.39;;;;;DOPC;MDCG;27;0;"MARTINI bead: P3_C4";;;;;;;0.23;;-1.03;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM435296;MM435296;C#CCC1NC(C#C)C1C;VDOUSPSOGDZUIK-UHFFFAOYSA-N;133.19;0.62;;;;;DOPC;MDCG;27;1;"MARTINI bead: SNd_SP1";;;;;;;0.04;;-4.41;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM435297;MM435297;C=CC1(C=O)CON=C1C;BCFITPUTSWAHLS-UHFFFAOYSA-N;139.15;0.76;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNa_SNa";;;;;;;0.87;;-2.22;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM435298;MM435298;C=CCC1CN1C(C)C#N;GOGTWGBXSVWYBQ-UHFFFAOYSA-N;136.2;1.16;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_SN0";;;;;;;0.06;;-2.21;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM435299;MM435299;C#CC=C1CCC(CC)O1;RESWWAJIRALKSY-UHFFFAOYSA-N;136.19;2.09;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC5_SNa";;;;;;;1.64;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM435300;MM435300;C#CC=C(F)C=CC1CO1;IQNLCIBAXFKNHA-UHFFFAOYSA-N;138.14;1.43;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4_SNa";;;;;;;2.2;;0.34;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM435301;MM435301;C=COC1CC(OC)C1=O;VHGMUCAXLKDSRU-UHFFFAOYSA-N;142.15;0.5;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNa_SNa";;;;;;;0.87;;-2.22;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM435302;MM435302;CC=C(C#CC=NN)CF;OWODLFMLSZSRCK-UHFFFAOYSA-N;140.16;0.85;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4_P1";;;;;;;1.37;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM435303;MM435303;CC(C#N)N1CC1CC#N;RFIBRJWFRAJNQF-UHFFFAOYSA-N;135.17;0.5;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_SP2";;;;;;;-1.34;;-4.31;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM435304;MM435304;C=CC1(C#N)NCC=C1C;NJOARBDEYNVNRW-UHFFFAOYSA-N;134.18;0.98;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP1_SNd";;;;;;;0.04;;-2.63;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM435305;MM435305;C#CC=C1CCC(CN)O1;LYYGGGLBMXGMKR-UHFFFAOYSA-N;137.18;0.64;;;;;DOPC;MDCG;27;1;"MARTINI bead: SP1_SNa";;;;;;;0.04;;-4.6;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM435306;MM435306;CC(=O)CCN=C(N)C#N;GCQIKQFJZZCXPG-UHFFFAOYSA-N;139.16;-0.15;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_P2";;;;;;;-0.24;;-3.24;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM435307;MM435307;C#CC=C(C)C=NN1CC1;YYNJJVADRPLMEG-UHFFFAOYSA-N;134.18;0.87;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4_SP3";;;;;;;0.23;;-1.03;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM435308;MM435308;CC=C(C#CC=NO)CF;UIJRACSTEWPVQG-UHFFFAOYSA-N;141.15;1.37;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4_P1";;;;;;;1.37;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM435309;MM435309;CCC1(CN)C=CC=C1C;NUEXEJXZHMQMNQ-UHFFFAOYSA-N;137.23;1.86;;;;;DOPC;MDCG;27;1;"MARTINI bead: SC5_SC5";;;;;;;2.41;;-0.13;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM435310;MM435310;C=CCC1CN1N(C)C=O;FUQQIJKJKCGCRD-UHFFFAOYSA-N;140.19;0.25;;;;;DOPC;MDCG;27;0;"MARTINI bead: P4_SN0";;;;;;;-0.88;;-3.74;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM435311;MM435311;C#CC=C1CCC(CO)O1;CEBKYFGLODLYQS-UHFFFAOYSA-N;138.17;0.67;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP1_SNa";;;;;;;0.04;;-2.54;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM435312;MM435312;N#CCN1CC(CO)C1=O;VYIXNZQMJHBNNR-UHFFFAOYSA-N;140.14;-1.04;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP2_SP2";;;;;;;-1.34;;-4.31;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM435313;MM435313;NCCC(N)C#CC1CC1;RYSCZRPVAJZMOK-UHFFFAOYSA-N;138.21;0.08;;;;;DOPC;MDCG;27;1;"MARTINI bead: P2_SC5";;;;;;;0.54;;-3.54;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM435314;MM435314;NN=CC#CC(=CF)CF;NOBBQOHWMKDPEV-UHFFFAOYSA-N;144.12;0.76;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_C5";;;;;;;0.81;;-0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM435315;MM435315;CCC1(NC)C=CC=C1C;VINWYFYCPNWRFD-UHFFFAOYSA-N;137.23;1.87;;;;;DOPC;MDCG;27;1;"MARTINI bead: SC5_SC5";;;;;;;2.41;;0.24;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM435316;MM435316;CN(C=O)N1CC1CC#N;DYSBUSSOPMOXRL-UHFFFAOYSA-N;139.16;-0.41;;;;;DOPC;MDCG;27;0;"MARTINI bead: P4_SP2";;;;;;;-2.29;;-5.95;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM435317;MM435317;C#CC=C1CCC(CF)O1;BINVVSJCKMHZEU-UHFFFAOYSA-N;140.16;1.65;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNa_SNa";;;;;;;0.87;;-2.22;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM435318;MM435318;CNCC(N)C#CC1CC1;YBVVSJLGRBTGHK-UHFFFAOYSA-N;138.21;-0.05;;;;;DOPC;MDCG;27;1;"MARTINI bead: P2_SC5";;;;;;;0.54;;-3.16;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM435319;MM435319;C#CCC1CC(CO)C1=O;ILOKJUPLEIPINH-UHFFFAOYSA-N;138.17;0.21;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP1_SC4";;;;;;;1.37;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM435320;MM435320;ON=CC#CC(=CF)CF;BCDDYZAEXVRJOA-UHFFFAOYSA-N;145.11;1.27;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_C5";;;;;;;0.81;;-0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM435321;MM435321;C#CCC1CC1C(C)C=C;AXYKYSDUZWETTP-UHFFFAOYSA-N;134.22;2.47;;;;;DOPC;MDCG;27;0;"MARTINI bead: C3_SC4";;;;;;;3.9;;0.47;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM435322;MM435322;C=CC1(CC)C=CC=C1C;ZUSNPFZUTJMRQZ-UHFFFAOYSA-N;134.22;3.08;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC1_SC5";;;;;;;3.68;;0.46;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM435323;MM435323;NCCC(N)C#CC1CN1;DWQBRDODOXXDBW-UHFFFAOYSA-N;139.2;-1.36;;;;;DOPC;MDCG;27;1;"MARTINI bead: P2_SP1";;;;;;;-1.06;;-6.27;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM435324;MM435324;C#CC=C1CCC(OC)O1;HJYLXUTVCMRGPQ-UHFFFAOYSA-N;138.17;1.29;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNa_SNa";;;;;;;0.87;;-2.22;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM435325;MM435325;C#CCC1CN(CC)C1=O;WFKJWAHOUYGERW-UHFFFAOYSA-N;137.18;0.49;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP1_SP1";;;;;;;-0.79;;-3.13;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM435326;MM435326;CC=CC#CC(CC)=NN;FNJDDCADOKGKNB-UHFFFAOYSA-N;136.2;1.29;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nd_C4";;;;;;;2.2;;0.32;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM435327;MM435327;CCC1(C=O)C=CC=C1C;AQAGZQPJIQQDCX-UHFFFAOYSA-N;136.19;2.1;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC5_SC5";;;;;;;2.41;;0.64;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM435328;MM435328;CNCC(N)C#CC1CN1;VQDBWEFEFYZABS-UHFFFAOYSA-N;139.2;-1.49;;;;;DOPC;MDCG;27;1;"MARTINI bead: P2_SP1";;;;;;;-1.06;;-5.87;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM435329;MM435329;C#CCC1CC1C(C)C=O;KBMLVMKVHDAWOD-UHFFFAOYSA-N;136.19;1.48;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_SC4";;;;;;;2.2;;0.34;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM435330;MM435330;C#CC=C1COC(CC)O1;OBMOMKIFJOYOOZ-UHFFFAOYSA-N;138.17;1.29;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNa_SNa";;;;;;;0.87;;-2.22;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM435331;MM435331;C#CCC1CN(OC)C1=O;XDARLGIHXVCBJV-UHFFFAOYSA-N;139.15;0.03;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP1_SP1";;;;;;;-0.79;;-3.13;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM435332;MM435332;CCC(C#CC=CF)=NN;XILZFDNHXQLPOH-UHFFFAOYSA-N;140.16;1.2;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nd_C5";;;;;;;1.64;;0.02;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM435333;MM435333;C#CCN1CC(CN)C1=O;UKWKWIZKOIBXAF-UHFFFAOYSA-N;138.17;-0.96;;;;;DOPC;MDCG;27;1;"MARTINI bead: SP2_SP1";;;;;;;-1.06;;-5.51;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM435334;MM435334;C#CCC1CC1C(C)C#N;UIIIHBSQQHHDAR-UHFFFAOYSA-N;133.19;1.81;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_SC4";;;;;;;1.37;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM435335;MM435335;C=CC1(OC)C=CC=C1C;CZCRWTZQHBXURT-UHFFFAOYSA-N;136.19;2.07;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC5_SC5";;;;;;;2.41;;0.64;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM435336;MM435336;CNCC(C)C#CC1CO1;STEIKZDEWJVKLP-UHFFFAOYSA-N;139.2;0.24;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_SNa";;;;;;;0.87;;-4.53;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM435337;MM435337;C#CC=C1COC(CN)O1;GRCBHQMIZWNNOW-UHFFFAOYSA-N;139.15;-0.16;;;;;DOPC;MDCG;27;1;"MARTINI bead: SP2_SNa";;;;;;;-0.24;;-4.55;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM435338;MM435338;CC=CC#CC(CC)=NO;NNSSWNXKHLHMFN-UHFFFAOYSA-N;137.18;1.81;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda_C4";;;;;;;2.2;;0.49;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM435339;MM435339;C=CC1(C=C)C=CC=C1C;PQMLLCIEEOQNLZ-UHFFFAOYSA-N;132.21;2.86;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC5_SC3";;;;;;;3.34;;0.48;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM435340;MM435340;CCOC(C)C#CC1CO1;RSQRXRDAOXZEKY-UHFFFAOYSA-N;140.18;0.81;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_SNa";;;;;;;1.64;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM435341;MM435341;C#CC=C1COC(CO)O1;HKESGLMIQAWRNN-UHFFFAOYSA-N;140.14;-0.13;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP2_SNa";;;;;;;-0.24;;-3.24;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM435342;MM435342;C#CCC1CC1C(N)C=C;BLUYUXKKADFKCG-UHFFFAOYSA-N;135.21;1.16;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1_SC4";;;;;;;1.37;;-2.45;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM435343;MM435343;C#CCN1CC(CO)C1=O;NMCUVQVRJCCQEO-UHFFFAOYSA-N;139.15;-0.93;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP2_SP1";;;;;;;-1.06;;-3.82;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM435344;MM435344;CCC(C#CC=CF)=NO;ZJEDYRFWVKKYCQ-UHFFFAOYSA-N;141.15;1.71;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda_C5";;;;;;;1.64;;0.05;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM435345;MM435345;CCCC(C)C1(CC)CC1;TZIJEYLUCBHGQM-UHFFFAOYSA-N;140.27;3.61;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1_SC3";;;;;;;4.61;;0.31;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM435346;MM435346;N#CCC(O)C#CC1CC1;FTZRGMVRHKENLX-UHFFFAOYSA-N;135.17;0.67;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_SC5";;;;;;;0.81;;-0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM435347;MM435347;C=NNC=NC(C)(C)CC;ZQNCCHCNUHTYHW-UHFFFAOYSA-N;141.22;1.41;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1_P2";;;;;;;1.8;;0.41;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM435348;MM435348;C#CC=C1CCN(CC)C1;OWCIASPBTCSCGT-UHFFFAOYSA-N;135.21;1.27;;;;;DOPC;MDCG;27;1;"MARTINI bead: SNd_SN0";;;;;;;1.17;;-2.78;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM435349;MM435349;C=CN1CC(CNC)C1=O;WDRLBNJIIGWOOI-UHFFFAOYSA-N;140.19;-0.19;;;;;DOPC;MDCG;27;1;"MARTINI bead: SP2_SP1";;;;;;;-1.06;;-6.08;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM435350;MM435350;CC=CC#CC(CF)=NN;MTQXJQYWYYATCQ-UHFFFAOYSA-N;140.16;0.85;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4_P1";;;;;;;1.37;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM435351;MM435351;C#CCC1CC1C(O)C=O;ONAMPVFOAUXQQO-UHFFFAOYSA-N;138.17;0.21;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_SC4";;;;;;;1.09;;-0.38;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM435352;MM435352;C=CC1CCC(=CCC)C1;PALIMQLPGVISTM-UHFFFAOYSA-N;136.24;3.31;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC1_SC2";;;;;;;4.87;;0.53;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM435353;MM435353;CCC1(C(C)CCF)CC1;IVSGJWPPACOART-UHFFFAOYSA-N;144.23;3.17;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC3_C4";;;;;;;3.9;;0.47;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM435354;MM435354;C=CCC(N)C#CC1CN1;RTAIDKOSOSIEEG-UHFFFAOYSA-N;136.2;-0.14;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_SP1";;;;;;;0.04;;-4.3;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM435355;MM435355;N#CCC1CC(C#N)C1=O;LHEKLTOJUBHBHT-UHFFFAOYSA-N;134.14;0.63;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC5_SNa";;;;;;;1.64;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM435356;MM435356;NN=C(C#CC=CF)CF;JFWIUBHVULDDRI-UHFFFAOYSA-N;144.12;0.76;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_C5";;;;;;;0.81;;-0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM435357;MM435357;C=CC1CCC(=CCN)C1;OBRLEGRCCAUXRN-UHFFFAOYSA-N;137.23;1.86;;;;;DOPC;MDCG;27;1;"MARTINI bead: SNd_SC2";;;;;;;2.83;;-0.24;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM435358;MM435358;C#CCC1CC1C(F)C=O;HDASICPGDJQIME-UHFFFAOYSA-N;140.16;1.18;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_SC4";;;;;;;1.09;;-0.38;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM435359;MM435359;CC(CCN)C1(CN)CC1;FYDPBUGGDDGYFM-UHFFFAOYSA-N;142.25;0.71;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_SNd";;;;;;;0.87;;-5.07;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM435360;MM435360;CCC(F)CC(F)C=NN;FZUSGYUZBYUFDG-UHFFFAOYSA-N;150.17;1.41;;;;;DOPC;MDCG;27;0;"MARTINI bead: C2_P1";;;;;;;2;;0.29;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM435361;MM435361;COC1CCC(=NN)O1;HZUNXZQZRDCXRA-UHFFFAOYSA-N;130.15;0.04;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNa_SNda";;;;;;;0.87;;-1.99;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM435362;MM435362;CN(NC=O)C(=O)C(=O)O;HZFNEFUMLWGMFL-UHFFFAOYSA-N;146.1;-1.81;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_P2";;;;;;;-1.34;;-8.99;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM435363;MM435363;CCC=C1CCC(C=O)C1;GOOUIGHECBBNJB-UHFFFAOYSA-N;138.21;2.32;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC1_SNa";;;;;;;2.91;;0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM435364;MM435364;C#CCC1CC1C(F)C#N;XPRIRBVRGWBAIH-UHFFFAOYSA-N;137.16;1.51;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_SC4";;;;;;;2.2;;0.34;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM435365;MM435365;N#CCC1NC(C#N)C1=O;MDXWOHYVFTUDMT-UHFFFAOYSA-N;135.13;-0.67;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP1_SP2";;;;;;;-1.06;;-3.82;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM435366;MM435366;CC(CCO)C1(CN)CC1;TWWUPXPRYLEKOF-UHFFFAOYSA-N;143.23;0.74;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nda_SNd";;;;;;;0.87;;-4.41;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM435367;MM435367;N#CCC(O)C#CC1CO1;JYIFVDWXMXPVAF-UHFFFAOYSA-N;137.14;-0.34;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_SNa";;;;;;;0.04;;-2.54;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM435368;MM435368;CCC(C#CC=NO)=NN;LJXWCRZVUJQLKC-UHFFFAOYSA-N;139.16;0.17;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_P1";;;;;;;0.81;;-0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM435369;MM435369;CCC=C1CCC(C#N)C1;USKVSJKANRELKB-UHFFFAOYSA-N;135.21;2.65;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC1_SC5";;;;;;;3.68;;0.46;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM435370;MM435370;C#CCC1CC1N(C)C=N;LYNHIFFHJMCNNA-UHFFFAOYSA-N;136.2;0.94;;;;;DOPC;MDCG;27;1;"MARTINI bead: P2_SC4";;;;;;;1.09;;-4.45;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM435371;MM435371;CC(CCF)C1(CN)CC1;QMONTMSKGONPAN-UHFFFAOYSA-N;145.22;1.72;;;;;DOPC;MDCG;27;1;"MARTINI bead: C4_SNd";;;;;;;2.2;;-1.92;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM435372;MM435372;C=CC1CN(CC#N)C1=O;YINJBXXHZLVUDB-UHFFFAOYSA-N;136.15;0.15;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP1_SP2";;;;;;;-1.06;;-3.82;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM435373;MM435373;C#CCC(C)C#CC1CC1;GDKBIBVZWRTGPM-UHFFFAOYSA-N;132.21;2.06;;;;;DOPC;MDCG;27;0;"MARTINI bead: C3_SC5";;;;;;;3.34;;0.48;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM435374;MM435374;C#CC(CC)C1NC1C=O;YVUKDGDLJJTKSM-UHFFFAOYSA-N;137.18;0.19;;;;;DOPC;MDCG;27;0;"MARTINI bead: C3_SP2";;;;;;;1.46;;-0.15;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM435375;MM435375;O=CC1CCC(=CCO)C1;KJZNFKRPNJXSFB-UHFFFAOYSA-N;140.18;0.9;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC5_SNa";;;;;;;1.64;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM435376;MM435376;CC(CCN)C1(CO)CC1;NYAYFQZSWQJVJI-UHFFFAOYSA-N;143.23;0.74;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_SNda";;;;;;;0.87;;-4.71;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM435377;MM435377;C#CCC1CC1N(N)C=N;QWVRYDRAPIDXKG-UHFFFAOYSA-N;137.19;0.18;;;;;DOPC;MDCG;27;1;"MARTINI bead: P3_SC4";;;;;;;0.23;;-3.3;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM435378;MM435378;C=CCN1CC(C=O)C1=O;JXAJFDVQTFYDAZ-UHFFFAOYSA-N;139.15;-0.17;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNda_SP2";;;;;;;-0.24;;-3.31;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM435379;MM435379;C#CCC(N)C#CC1CC1;DQAJDFJNWOTAOT-UHFFFAOYSA-N;133.19;0.75;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_SC5";;;;;;;1.64;;-1.32;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM435380;MM435380;NN=C(C#CC=NO)CO;XTIWPLOIGVFZIZ-UHFFFAOYSA-N;141.13;-1.24;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_P1";;;;;;;-1.06;;-3.82;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM435381;MM435381;C=CC1CC(=CCC)CN1;OPGXALXDHCZUAG-UHFFFAOYSA-N;137.23;1.87;;;;;DOPC;MDCG;27;1;"MARTINI bead: SN0_SNd";;;;;;;1.17;;-3.49;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM435382;MM435382;CCc1nc(=NN)on1N;ZAXNJZNVLGZIEM-UHFFFAOYSA-N;143.15;-1.47;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNa_SP3";;;;;;;-1.1;;-4.2;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM435383;MM435383;C#CCC1CC1N(C)N=C;UQOOBPVMPINMQJ-UHFFFAOYSA-N;136.2;0.95;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_SC4";;;;;;;1.37;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM435384;MM435384;C#CCC(C)C#CC1CN1;HDGVWVBFBNSBLN-UHFFFAOYSA-N;133.19;0.62;;;;;DOPC;MDCG;27;0;"MARTINI bead: C3_SP1";;;;;;;1.74;;0.31;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM435385;MM435385;C=CCN1CC(C#N)C1=O;MJRGLAKMBCGXEM-UHFFFAOYSA-N;136.15;0.15;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNda_SP2";;;;;;;-0.24;;-3.31;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM435386;MM435386;CC=CC#CC(=NC)NC;XQDOSZJGXCGOFE-UHFFFAOYSA-N;136.2;0.81;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1_C4";;;;;;;1.37;;-1.96;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM435387;MM435387;C=CC1CC(=CCN)CN1;MKSCZVASAFZKJY-UHFFFAOYSA-N;138.21;0.42;;;;;DOPC;MDCG;27;1;"MARTINI bead: SP2_SNd";;;;;;;-0.24;;-5.81;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM435388;MM435388;CC(CCN)C1(CF)CC1;WCTSGSFBKCAAIT-UHFFFAOYSA-N;145.22;1.72;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_SC5";;;;;;;1.64;;-2.69;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM435389;MM435389;N#CCN1CC(C=O)C1=O;GRZMMIIMULIEIM-UHFFFAOYSA-N;138.13;-0.83;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP2_SP2";;;;;;;-1.34;;-4.31;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM435390;MM435390;C#CCC1NC1C(C)C#N;AIOGNYQQPPOINQ-UHFFFAOYSA-N;134.18;0.51;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_SP1";;;;;;;-0.79;;-3.13;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM435391;MM435391;C#CCC(N)C#CC1CN1;BQNQVSFOQQCWHV-UHFFFAOYSA-N;134.18;-0.69;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_SP1";;;;;;;0.04;;-4;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM435392;MM435392;C=CC1CC(=CCO)CN1;IIUYTTZQTHOYMI-UHFFFAOYSA-N;139.2;0.45;;;;;DOPC;MDCG;27;1;"MARTINI bead: SP1_SNd";;;;;;;0.04;;-4.79;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM435393;MM435393;CN=C(C#CC=CF)NC;YTLQPTMBVUVIRL-UHFFFAOYSA-N;140.16;0.72;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1_C5";;;;;;;0.81;;-2.36;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM435394;MM435394;CCC1(C(N)CCN)CC1;XLTIWQIINLLLRU-UHFFFAOYSA-N;142.25;0.85;;;;;DOPC;MDCG;27;1;"MARTINI bead: SC3_P3";;;;;;;0.6;;-3.44;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM435395;MM435395;CCCC(O)CC1(C)CC1;LNQDQLXUQHXQIE-UHFFFAOYSA-N;142.24;2.34;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_SC5";;;;;;;2.41;;0.64;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM435396;MM435396;C#CCC(N)C#CC1CO1;OQOSTCOMZNOAJU-UHFFFAOYSA-N;135.17;-0.26;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_SNa";;;;;;;0.87;;-3.21;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM435397;MM435397;C#CCC1NC1C(N)C=C;JNSVWJAAVZOMIG-UHFFFAOYSA-N;136.2;-0.14;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1_SP1";;;;;;;-0.79;;-4.79;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM435398;MM435398;C#CC(C=O)N1C(C)C1C;IFZAZIGKUGKZJH-UHFFFAOYSA-N;137.18;0.28;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP1_P2";;;;;;;-1.06;;-3.82;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM435399;MM435399;CCC=C1CNC(C=O)C1;XRGOUKMJXFSALG-UHFFFAOYSA-N;139.2;0.88;;;;;DOPC;MDCG;27;1;"MARTINI bead: SN0_SP1";;;;;;;0.34;;-2.72;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM435400;MM435400;CCC1(C(N)CCO)CC1;LNGLAVMYXXZUBY-UHFFFAOYSA-N;143.23;0.89;;;;;DOPC;MDCG;27;1;"MARTINI bead: SC3_P2";;;;;;;1.46;;-2.43;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM435401;MM435401;C#CCC(O)C#CC1CO1;UBJDZLZATLPSQF-UHFFFAOYSA-N;136.15;-0.23;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda_SNa";;;;;;;0.87;;-1.99;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM435402;MM435402;C#CCC1CN(C=O)C1=O;GCSRVDKGJBLQCH-UHFFFAOYSA-N;137.14;-0.38;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP2_SP1";;;;;;;-1.06;;-3.82;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM435403;MM435403;C=CC1=CC(C)C(C)(O)C1;QGDQRDAHRABWLO-UHFFFAOYSA-N;138.21;1.89;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC3_SNda";;;;;;;2.57;;0.44;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM435404;MM435404;CCC1(C(N)CCF)CC1;RAFDKONTOXDIAW-UHFFFAOYSA-N;145.22;1.86;;;;;DOPC;MDCG;27;1;"MARTINI bead: SC3_P1";;;;;;;1.74;;-2.02;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM435405;MM435405;CC#CC#CC1NC1C=O;BRABGOOSDIGZHS-UHFFFAOYSA-N;133.15;-0.45;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4_SP2";;;;;;;1.09;;-0.38;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM435406;MM435406;CCC=C1CNC(C#N)C1;DPVQBZBZUDGUDC-UHFFFAOYSA-N;136.2;1.21;;;;;DOPC;MDCG;27;0;"MARTINI bead: SN0_SP1";;;;;;;0.34;;-1.53;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM435407;MM435407;C=C(C#CC1CC1)CCC;JAMHVSWMTUEMKY-UHFFFAOYSA-N;134.22;2.76;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1_SC5";;;;;;;3.68;;0.46;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM435408;MM435408;CC(=O)N(N)C(=O)C(=N)N;JEYCGJLKHYVQKL-UHFFFAOYSA-N;144.13;-1.83;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_P3";;;;;;;-2.2;;-5.19;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM435409;MM435409;C#CCN1CC(C=C)C1=O;CJXMXIDOQLRQEN-UHFFFAOYSA-N;135.17;0.26;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP1_SP1";;;;;;;-0.79;;-3.13;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM435410;MM435410;CCC1(C(O)CCF)CC1;YWHOVCCERQUPGT-UHFFFAOYSA-N;146.21;1.9;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC3_P1";;;;;;;1.74;;0.29;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM435411;MM435411;C#CCC(C)(O)CC;DQZBGZSZYNWHEP-UHFFFAOYSA-N;112.17;1.17;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda_N0";;;;;;;1.17;;-1.13;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM435412;MM435412;CCCC(=O)C#CC1CC1;OLWGWAXWBIZODO-UHFFFAOYSA-N;136.19;1.77;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_SC5";;;;;;;1.64;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM435413;MM435413;C=CC1CC(=CCC)CO1;GQVXBOSTNZGONH-UHFFFAOYSA-N;138.21;2.3;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC5_SNa";;;;;;;1.64;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM435414;MM435414;C#CCC1OC1C(C)C=C;QOKPQFACNGZWEA-UHFFFAOYSA-N;136.19;1.6;;;;;DOPC;MDCG;27;0;"MARTINI bead: C3_SNa";;;;;;;2.57;;0.45;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM435415;MM435415;C#CCN1CC(C#N)C1=O;FLWTXWMAETVENJ-UHFFFAOYSA-N;134.14;-0.4;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP2_SP1";;;;;;;-1.06;;-3.82;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM435416;MM435416;CCC1(C(C)CNC)CC1;CMIKSYCKJSSMBA-UHFFFAOYSA-N;141.26;2.03;;;;;DOPC;MDCG;27;1;"MARTINI bead: SC3_Nd";;;;;;;2.57;;-1.97;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM435417;MM435417;CCC(O)CC(C)C;RGCZULIFYUPTAR-UHFFFAOYSA-N;116.2;1.8;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda_C3";;;;;;;2.57;;0.44;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM435418;MM435418;C=CC1CC(=CCN)CO1;DYCOMRARWZCFMB-UHFFFAOYSA-N;139.2;0.85;;;;;DOPC;MDCG;27;1;"MARTINI bead: SP1_SNa";;;;;;;0.04;;-4.77;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM435419;MM435419;C=C(C#CC1CN1)CCC;QWJJOJSICATDDP-UHFFFAOYSA-N;135.21;1.32;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1_SP1";;;;;;;2.08;;0.5;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM435420;MM435420;C#CCC1OC1C(C)C=O;MEXRDJMNTXIDTL-UHFFFAOYSA-N;138.17;0.61;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_SNa";;;;;;;0.87;;-2.22;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM435421;MM435421;C#CCC1CC(C#C)C1=O;BVPYSJDWTMWRCF-UHFFFAOYSA-N;132.16;0.85;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC4_SNa";;;;;;;2.2;;0.34;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM435422;MM435422;CCC1(C(C)COC)CC1;STCNZIAAQXFLPI-UHFFFAOYSA-N;142.24;2.46;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC3_Na";;;;;;;2.57;;0.45;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM435423;MM435423;CC=CC#CC(=CC)OC;WNTKZJMBFVIHLG-UHFFFAOYSA-N;136.19;2.12;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_C4";;;;;;;2.97;;0.45;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM435424;MM435424;C#CCC1OC1C(N)C=C;NKIQFEFVGRYZKY-UHFFFAOYSA-N;137.18;0.29;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1_SNa";;;;;;;0.04;;-4.25;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM435425;MM435425;CCC=C1COC(C=O)C1;LKLDLNJLXVPMMD-UHFFFAOYSA-N;140.18;1.31;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC5_SP1";;;;;;;0.81;;-0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM435426;MM435426;CCCC(=O)C#CC1CN1;VPGSGCOJJVAYRP-UHFFFAOYSA-N;137.18;0.33;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_SP1";;;;;;;0.04;;-2.54;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM435427;MM435427;C#CCN1CC(C#C)C1=O;ACYMXGBBOQAUJJ-UHFFFAOYSA-N;133.15;-0.29;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP2_SP1";;;;;;;-1.06;;-3.82;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM435428;MM435428;COCC(C)C1(CN)CC1;OBOCYXYVODGQOZ-UHFFFAOYSA-N;143.23;1.01;;;;;DOPC;MDCG;27;1;"MARTINI bead: Na_SNd";;;;;;;0.87;;-4.37;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM435429;MM435429;CC=C(C#CC=CF)OC;LIXYJSRZGANYTM-UHFFFAOYSA-N;140.16;2.02;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_C5";;;;;;;2.41;;0.64;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM435430;MM435430;C#CCC1OC1C(O)C=C;GKBMZVBRJJCPAX-UHFFFAOYSA-N;138.17;0.32;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda_SNa";;;;;;;0.87;;-1.99;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM435431;MM435431;CCC=C1COC(C#N)C1;LGZYPEMYIYHGRH-UHFFFAOYSA-N;137.18;1.64;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC5_SNa";;;;;;;1.64;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM435432;MM435432;C=C(C#CC1CN1)CNC;SUHAJCTWLISVOA-UHFFFAOYSA-N;136.2;-0.26;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_SP1";;;;;;;0.04;;-4.35;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM435433;MM435433;CC=CC1CC(CC)C1C;UUGANCJSCVEPEO-UHFFFAOYSA-N;138.25;3.24;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC2_SC1";;;;;;;4.87;;0.53;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM435434;MM435434;COCC(C)C1(CO)CC1;ODSDTOVZBQVWPP-UHFFFAOYSA-N;144.21;1.04;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_SNda";;;;;;;0.87;;-1.99;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM435435;MM435435;C#CCC1OC1C(O)C#N;XFUPZZOQPGTPEF-UHFFFAOYSA-N;137.14;-0.34;;;;;DOPC;MDCG;27;0;"MARTINI bead: P3_SNa";;;;;;;-1.1;;-4.2;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM435436;MM435436;CC=CC#CC(=CF)OC;AABDAEZSRXJFOX-UHFFFAOYSA-N;140.16;2.02;;;;;DOPC;MDCG;27;0;"MARTINI bead: N0_C4";;;;;;;2.5;;0.44;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM435437;MM435437;C=CC1CNC(=NCC)C1;NNHSNJNTJMHQMK-UHFFFAOYSA-N;138.21;1.2;;;;;DOPC;MDCG;27;1;"MARTINI bead: SC5_SN0";;;;;;;1.94;;-2.69;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM435438;MM435438;C=C(C#CC1CO1)CCC;BQXAZZCEFUUZHX-UHFFFAOYSA-N;136.19;1.74;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1_SNa";;;;;;;2.91;;0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM435439;MM435439;CC1C(O)CC2(C)CC12C;GCOGARDMCJBDEM-UHFFFAOYSA-N;140.23;1.8;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNda_SC2";;;;;;;2.83;;0.57;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM435440;MM435440;CCC1(C(N)COC)CC1;FTATZSWIBXNIFA-UHFFFAOYSA-N;143.23;1.15;;;;;DOPC;MDCG;27;1;"MARTINI bead: SC3_P2";;;;;;;1.46;;-2.1;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM435441;MM435441;C#CCC1OC1C(F)C=O;NQVIHPAVBFASNU-UHFFFAOYSA-N;142.13;0.31;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_SNa";;;;;;;-0.24;;-3.24;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM435442;MM435442;CCN=C1CC(C=O)CN1;PTXZJEOGLLDEES-UHFFFAOYSA-N;140.19;0.21;;;;;DOPC;MDCG;27;1;"MARTINI bead: SC5_SP2";;;;;;;0.54;;-4.83;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM435443;MM435443;COC(C#CC=CF)=CF;TTYDQAVURJNPEX-UHFFFAOYSA-N;144.12;1.93;;;;;DOPC;MDCG;27;0;"MARTINI bead: N0_C5";;;;;;;1.94;;0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM435444;MM435444;C=CCC(=C)C#CC1CC1;DIFMLEIGVIVPNZ-UHFFFAOYSA-N;132.21;2.53;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1_SC5";;;;;;;3.68;;0.46;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM435445;MM435445;CC=CC1CC(NC)C1C;STKHLMLUGNMUDR-UHFFFAOYSA-N;139.24;1.81;;;;;DOPC;MDCG;27;1;"MARTINI bead: SNd_SC1";;;;;;;2.91;;-0.83;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM435446;MM435446;CCN=C1CC(C#N)CN1;RQLKZXRUDZJLLO-UHFFFAOYSA-N;137.19;0.54;;;;;DOPC;MDCG;27;1;"MARTINI bead: SC5_SP1";;;;;;;0.81;;-3.96;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM435447;MM435447;C=C(C#CC1CC1)CC=O;VRYASINEWTZINH-UHFFFAOYSA-N;134.18;1.55;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_SC5";;;;;;;1.64;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM435448;MM435448;COCC(N)C1(CN)CC1;OQEUNKLVFPRCEN-UHFFFAOYSA-N;144.22;-0.3;;;;;DOPC;MDCG;27;1;"MARTINI bead: P2_SNd";;;;;;;-0.24;;-5.45;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM435449;MM435449;C#CCC1OC1C(F)C#N;WPDJXZBOOWTOSL-UHFFFAOYSA-N;139.13;0.64;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_SNa";;;;;;;0.87;;-2.22;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM435450;MM435450;CC=C(C#CC=NN)OC;WPHXNVHIRXMJCH-UHFFFAOYSA-N;138.17;0.48;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_P1";;;;;;;0.81;;-0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM435451;MM435451;CC=CC1CC(NC)C1N;TWCNWZUFLZCRDJ-UHFFFAOYSA-N;140.23;0.5;;;;;DOPC;MDCG;27;1;"MARTINI bead: SNd_SC5";;;;;;;1.64;;-2.53;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM435452;MM435452;C=CC1CC(=NCC)NN1;TZCJSFUENQZCBF-UHFFFAOYSA-N;139.2;0.46;;;;;DOPC;MDCG;27;1;"MARTINI bead: SP2_SP2";;;;;;;-1.34;;-6.51;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM435453;MM435453;C#CCN1CC1C(C)C#N;KCVLGUQGHTVWHC-UHFFFAOYSA-N;134.18;0.46;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_SNd";;;;;;;0.04;;-2.63;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM435454;MM435454;C=C(C#CC1CC1)CC#N;BNJYTZPINWREBR-UHFFFAOYSA-N;131.18;1.87;;;;;DOPC;MDCG;27;0;"MARTINI bead: N0_SC5";;;;;;;1.94;;0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM435455;MM435455;CCNC(C)C1(CC)CC1;AJJNIISUPZTFPR-UHFFFAOYSA-N;141.26;2.17;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_SC3";;;;;;;2.57;;-1.91;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM435456;MM435456;CC=C(C#CC=NO)OC;SKXCICLWGDWGGL-UHFFFAOYSA-N;139.15;1;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_P1";;;;;;;0.81;;-0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM435457;MM435457;CC=CC1CC(OC)C1N;DGCIPZIWJDSMRF-UHFFFAOYSA-N;141.21;0.92;;;;;DOPC;MDCG;27;1;"MARTINI bead: SP1_SC2";;;;;;;2;;-0.78;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM435458;MM435458;CCN=C1CC(C=O)NN1;JJVLQNRHIKYAHQ-UHFFFAOYSA-N;141.17;-0.53;;;;;DOPC;MDCG;27;1;"MARTINI bead: SP2_SP3";;;;;;;-2.2;;-7.27;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM435459;MM435459;C#CCN1CC1C(N)C=C;ZEKKILPMXZDRBD-UHFFFAOYSA-N;136.2;-0.18;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1_SNd";;;;;;;0.04;;-4.29;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM435460;MM435460;N#CCC(=O)C#CC1CC1;MGIOTDHQWZDSOV-UHFFFAOYSA-N;133.15;0.88;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_SC5";;;;;;;1.64;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM435461;MM435461;CCNC(C)C1(CN)CC1;OISNFNBPNPMGDZ-UHFFFAOYSA-N;142.25;0.72;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_SNd";;;;;;;0.87;;-5.04;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM435462;MM435462;COC(C#CC=NO)=CF;PJXYUWLGNJKSNM-UHFFFAOYSA-N;143.12;0.91;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_P1";;;;;;;0.81;;-0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM435463;MM435463;CC=CC1NC(CC)C1C;QJEVXWDXZQKXFR-UHFFFAOYSA-N;139.24;1.95;;;;;DOPC;MDCG;27;1;"MARTINI bead: SNd_SN0";;;;;;;1.17;;-3.89;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM435464;MM435464;C=CC(=O)N(C)N=C(C)N;QJYORLSRBLSLRK-UHFFFAOYSA-N;141.17;-0.08;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_Na";;;;;;;-0.24;;-3.24;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM435465;MM435465;CCN=C1CC(C#N)NN1;SHVNMOKDQAODKU-UHFFFAOYSA-N;138.17;-0.21;;;;;DOPC;MDCG;27;1;"MARTINI bead: SP2_SP2";;;;;;;-1.34;;-6.2;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM435466;MM435466;C=C(C#CC1CC1)NC=N;VHEVUDXPAWDITI-UHFFFAOYSA-N;134.18;1.11;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_SC5";;;;;;;1.64;;-2.76;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM435467;MM435467;CCOC(C)C1(CC)CC1;MUSCTKYJVXFEPJ-UHFFFAOYSA-N;142.24;2.6;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_SC3";;;;;;;3.34;;0.48;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM435468;MM435468;CCCC(O)CCC;YVBCULSIZWMTFY-UHFFFAOYSA-N;116.2;1.95;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda_C3";;;;;;;2.57;;0.44;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM435469;MM435469;CC=CC1NC(CC)C1N;JFHAQYSJOLXENY-UHFFFAOYSA-N;140.23;0.64;;;;;DOPC;MDCG;27;1;"MARTINI bead: SP1_SN0";;;;;;;0.34;;-3.51;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM435470;MM435470;CC(N)=NN(C)C(=O)C#N;KSHGTDPEFSBSGC-UHFFFAOYSA-N;140.15;-0.74;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_P1";;;;;;;-1.06;;-3.82;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM435471;MM435471;CCC=C1CC(C=O)CO1;QNPHMRILPHJQBA-UHFFFAOYSA-N;140.18;1.52;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC5_SP1";;;;;;;0.81;;-0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM435472;MM435472;N=C(C#CC1CC1)NC=O;USOZKUPZWYYIHL-UHFFFAOYSA-N;136.15;0.12;;;;;DOPC;MDCG;27;0;"MARTINI bead: P3_SC5";;;;;;;-0.33;;-2.01;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM435473;MM435473;CCCC(C)C1(NC)CC1;JGDFNSXDLNAKHH-UHFFFAOYSA-N;141.26;2.17;;;;;DOPC;MDCG;27;1;"MARTINI bead: C1_SNd";;;;;;;2.91;;-0.77;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM435474;MM435474;CC(C)C(C)C(C)O;SODKTKJZYBOMMT-UHFFFAOYSA-N;116.2;1.66;;;;;DOPC;MDCG;27;0;"MARTINI bead: C3_Nda";;;;;;;2.57;;0.44;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM435475;MM435475;CC=CC1OC(CO)C1C;XRNFBPCWYNJORS-UHFFFAOYSA-N;142.2;0.96;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC5_SP1";;;;;;;0.81;;-0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM435476;MM435476;C#CCN1CC1C(O)C#N;LIXJGKVNGCLOAP-UHFFFAOYSA-N;136.15;-0.81;;;;;DOPC;MDCG;27;0;"MARTINI bead: P3_SNd";;;;;;;-1.1;;-3.93;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM435477;MM435477;CCC=C1CC(C#N)CO1;XPYYZLRRGLTQPS-UHFFFAOYSA-N;137.18;1.84;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC5_SP1";;;;;;;0.81;;-0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM435478;MM435478;C=CCC(=C)C#CC1CN1;YHYJXZKDTFUQSH-UHFFFAOYSA-N;133.19;1.09;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1_SP1";;;;;;;2.08;;0.5;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM435479;MM435479;CC=CC#CC(=NO)OC;MNDBHUJNGLTCTB-UHFFFAOYSA-N;139.15;1;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_C4";;;;;;;1.09;;-0.37;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM435480;MM435480;CC=CC1CC(CC)N1C;BDBXOHWHBSKHIN-UHFFFAOYSA-N;139.24;2.05;;;;;DOPC;MDCG;27;1;"MARTINI bead: SNd_SN0";;;;;;;1.17;;-2.82;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM435481;MM435481;CNC1(C(C)CCN)CC1;ADKAMTBNNOOYOA-UHFFFAOYSA-N;142.25;0.72;;;;;DOPC;MDCG;27;1;"MARTINI bead: SNd_Nd";;;;;;;0.87;;-5.33;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM435482;MM435482;C#CCC1CN1C(C)C=C;VCERJECCUSTFKK-UHFFFAOYSA-N;135.21;1.27;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nd_SP1";;;;;;;0.04;;-2.63;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM435483;MM435483;C=CC1CCC(=NCC)N1;LCYVHWMPQRIPOQ-UHFFFAOYSA-N;138.21;1.34;;;;;DOPC;MDCG;27;1;"MARTINI bead: SC5_SN0";;;;;;;1.94;;-2.19;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM435484;MM435484;C=CC1COC(=NN)C1;AVOPCJLECUGNEZ-UHFFFAOYSA-N;126.16;0.48;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNda_SN0";;;;;;;1.17;;-1.13;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM435485;MM435485;C=CC(C#CC=CC)=CC;JDQTWUPVRWTXHS-UHFFFAOYSA-N;132.21;2.7;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4_C1";;;;;;;4.24;;0.42;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM435486;MM435486;CNC1(C(C)CCO)CC1;HGTCJVNZLBCUCT-UHFFFAOYSA-N;143.23;0.76;;;;;DOPC;MDCG;27;1;"MARTINI bead: SNd_Nda";;;;;;;0.87;;-4.65;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM435487;MM435487;CC=CC1CN(CC)C1C;KJNWDSYDFNYLMO-UHFFFAOYSA-N;139.24;1.9;;;;;DOPC;MDCG;27;1;"MARTINI bead: SNd_SN0";;;;;;;1.17;;-2.94;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM435488;MM435488;C#CCC1CN1C(C)C#N;YVMZQHMTMVADPD-UHFFFAOYSA-N;134.18;0.61;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_SP1";;;;;;;-1.06;;-3.82;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM435489;MM435489;CCN=C1CCC(C=O)N1;JTUGNAJYNDLPTR-UHFFFAOYSA-N;140.19;0.36;;;;;DOPC;MDCG;27;1;"MARTINI bead: SC5_SP1";;;;;;;0.81;;-3.02;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM435490;MM435490;C=CC(C#CC=CF)=CC;CWPUJPHPNDJEAQ-UHFFFAOYSA-N;136.17;2.61;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1_C4";;;;;;;4.24;;0.42;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM435491;MM435491;C=C(C#CC1CN1)CC#N;ZWLIBJVRLPUBDJ-UHFFFAOYSA-N;132.17;0.43;;;;;DOPC;MDCG;27;0;"MARTINI bead: N0_SP1";;;;;;;0.34;;-1.53;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM435492;MM435492;CNCC(C)C1(NC)CC1;BCUKCGJNLPPKQK-UHFFFAOYSA-N;142.25;0.59;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_SNd";;;;;;;0.87;;-5.21;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM435493;MM435493;CCC1CN(C=NC)C1C;DMLBNMHFPKZTBO-UHFFFAOYSA-N;140.23;1.37;;;;;DOPC;MDCG;27;1;"MARTINI bead: SN0_SNd";;;;;;;1.17;;-4.18;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM435494;MM435494;C#CCC1CN1N(C)C=O;FMONJDAMAUQRCR-UHFFFAOYSA-N;138.17;-0.3;;;;;DOPC;MDCG;27;0;"MARTINI bead: P4_SP1";;;;;;;-2.01;;-5.13;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM435495;MM435495;CCN=C1CCC(C#N)N1;JAHOVZVWGUCVAA-UHFFFAOYSA-N;137.19;0.68;;;;;DOPC;MDCG;27;1;"MARTINI bead: SC5_SP1";;;;;;;0.81;;-2.17;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM435496;MM435496;C=CC(C#CC=CC)=CF;ORPVBILNZNDGSX-UHFFFAOYSA-N;136.17;2.61;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4_C4";;;;;;;3.53;;0.53;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM435497;MM435497;C=CC1CCC(=NN)O1;JZJQYIIEULTBFB-UHFFFAOYSA-N;126.16;0.62;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNda_SN0";;;;;;;1.17;;-1.13;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM435498;MM435498;CN=CN1CC(NC)C1C;WYKHOMPLKTUQFD-UHFFFAOYSA-N;141.22;-0.06;;;;;DOPC;MDCG;27;1;"MARTINI bead: SP2_SNd";;;;;;;-0.24;;-5.69;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM435499;MM435499;CNC1(C(C)COC)CC1;NBOXBTLXKOFICF-UHFFFAOYSA-N;143.23;1.02;;;;;DOPC;MDCG;27;1;"MARTINI bead: SNd_Na";;;;;;;0.87;;-4.69;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM435500;MM435500;C#CC(C)C1CC1CCC;DLLKOKKFPVNOEZ-UHFFFAOYSA-N;136.24;2.69;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC2_C5";;;;;;;3.6;;0.34;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM435501;MM435501;C=CC1CCC(=CCC)O1;SOUZCEMPMNBOKA-UHFFFAOYSA-N;138.21;2.65;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC5_SN0";;;;;;;1.94;;0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM435502;MM435502;C=CC(C#CC=CF)=CF;RDDSVBQVMRXJAZ-UHFFFAOYSA-N;140.13;2.51;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_C4";;;;;;;2.97;;0.45;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM435503;MM435503;C=CCC(=C)C#CC1CO1;JYLHLUPIJXTFCO-UHFFFAOYSA-N;134.18;1.52;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1_SNa";;;;;;;2.91;;0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM435504;MM435504;CCNC(C)C1(NC)CC1;KGAXTCOLTWVCCJ-UHFFFAOYSA-N;142.25;0.74;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_SNd";;;;;;;0.87;;-4.72;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM435505;MM435505;CC=NN1CC(CC)C1C;QEMBFOTXRZEBMB-UHFFFAOYSA-N;140.23;1.72;;;;;DOPC;MDCG;27;0;"MARTINI bead: SN0_SN0";;;;;;;1.47;;-0.05;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM435506;MM435506;C#CC(N)C1CC1CCN;IDUYNHUWKVEEFH-UHFFFAOYSA-N;138.21;-0.07;;;;;DOPC;MDCG;27;1;"MARTINI bead: SNd_P2";;;;;;;-0.24;;-5.97;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM435507;MM435507;C=CC1CCC(=CCN)O1;JZKGZVNGNUUGIK-UHFFFAOYSA-N;139.2;1.19;;;;;DOPC;MDCG;27;1;"MARTINI bead: SP1_SN0";;;;;;;0.34;;-3.71;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM435508;MM435508;C=C(C#CC1CO1)CC=O;RKTWXVOUIYRGBF-UHFFFAOYSA-N;136.15;0.53;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_SNa";;;;;;;0.87;;-2.22;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM435509;MM435509;CC=CC#CC(C=O)=CC;RUVMUZLTVUCODS-UHFFFAOYSA-N;134.18;1.71;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4_Na";;;;;;;2.2;;0.34;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM435510;MM435510;CNCC(C)C1(OC)CC1;XAPNNHWVMYKABY-UHFFFAOYSA-N;143.23;1.02;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_SNa";;;;;;;0.87;;-4.94;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM435511;MM435511;CC=NN1CC(CN)C1C;DLGMPSGDPGQNBW-UHFFFAOYSA-N;141.22;0.27;;;;;DOPC;MDCG;27;1;"MARTINI bead: SN0_SP2";;;;;;;0.06;;-4.62;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM435512;MM435512;CCNN=CCCC(C)=O;SXHWDVKFJZAWDZ-UHFFFAOYSA-N;142.2;0.95;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nd_Na";;;;;;;0.87;;-1.88;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM435513;MM435513;CCC=C1CCC(C=O)O1;CRSBUGRSJPUJNZ-UHFFFAOYSA-N;140.18;1.66;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC5_SP1";;;;;;;0.81;;-0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM435514;MM435514;CC=CC#CC(C#N)=CC;AKMKIVIEAZFDHB-UHFFFAOYSA-N;131.18;2.04;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4_N0";;;;;;;2.5;;0.44;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM435515;MM435515;C=C(C#CC1CO1)CC#N;PWPSBJNIFRSLID-UHFFFAOYSA-N;133.15;0.86;;;;;DOPC;MDCG;27;0;"MARTINI bead: N0_SNa";;;;;;;1.17;;-1.18;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM435516;MM435516;CCCN(C)C1(CC)CC1;UROXRGLOYQDDKQ-UHFFFAOYSA-N;141.26;2.27;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_SC3";;;;;;;2.57;;-1.69;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM435517;MM435517;CC=NN1CC(NC)C1C;ROQWYFLBYAAAPO-UHFFFAOYSA-N;141.22;0.28;;;;;DOPC;MDCG;27;1;"MARTINI bead: SP2_SN0";;;;;;;0.06;;-3.22;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM435518;MM435518;C#CC(C)C1CC1CNC;QGCWRYQKEWUTRN-UHFFFAOYSA-N;137.23;1.11;;;;;DOPC;MDCG;27;1;"MARTINI bead: SNd_C5";;;;;;;1.64;;-3.04;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM435519;MM435519;CCC=C1CCC(C#N)O1;ABFYHZZOBNLKRA-UHFFFAOYSA-N;137.18;1.98;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC5_SP1";;;;;;;0.81;;-0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM435520;MM435520;CC=C(C#CC=CF)C=O;FYWBDIIIDDKGAE-UHFFFAOYSA-N;138.14;1.62;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_C5";;;;;;;1.64;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM435521;MM435521;N#CCC(=O)C#CC1CO1;RNIKMFFRRSBEQP-UHFFFAOYSA-N;135.12;-0.13;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_SNa";;;;;;;0.87;;-2.22;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM435522;MM435522;CC=CC1CC(C#N)C1C;NDSWOFHYULZSRE-UHFFFAOYSA-N;135.21;2.36;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC1_SN0";;;;;;;3.21;;0.46;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM435523;MM435523;CCC1(N(C)CCN)CC1;FPLYSZZONQPXLK-UHFFFAOYSA-N;142.25;0.82;;;;;DOPC;MDCG;27;1;"MARTINI bead: SC3_P3";;;;;;;0.6;;-2.98;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM435524;MM435524;C#CC(N)C1CC1CNC;HNUCCXCXIIWURS-UHFFFAOYSA-N;138.21;-0.2;;;;;DOPC;MDCG;27;1;"MARTINI bead: SNd_P2";;;;;;;-0.24;;-6.3;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM435525;MM435525;CCC=C1COC(C#N)O1;SQYJPMXIYKXPFP-UHFFFAOYSA-N;139.15;1.18;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNa_SP1";;;;;;;0.04;;-2.54;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM435526;MM435526;CC=C(C#N)C#CC=CF;VUWYIEYOEYAYEK-UHFFFAOYSA-N;135.14;1.94;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_C4";;;;;;;2.97;;0.45;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM435527;MM435527;C#CCC(=C)C#CC1CC1;QBNYQTHZCPEEHV-UHFFFAOYSA-N;130.19;1.98;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4_SC5";;;;;;;2.97;;0.45;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM435528;MM435528;C=CC1NC(C=CC)C1C;LZAILVNWQPGICO-UHFFFAOYSA-N;137.23;1.73;;;;;DOPC;MDCG;27;1;"MARTINI bead: SN0_SNd";;;;;;;1.17;;-3.07;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM435529;MM435529;CCC1(N(C)CCO)CC1;JDZUCSTVHNKKQI-UHFFFAOYSA-N;143.23;0.85;;;;;DOPC;MDCG;27;1;"MARTINI bead: SC3_P2";;;;;;;1.46;;-2.2;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM435530;MM435530;C#CC(C)C1CC1NCC;GDHPKRQBSCLHOS-UHFFFAOYSA-N;137.23;1.25;;;;;DOPC;MDCG;27;1;"MARTINI bead: SNd_C5";;;;;;;1.64;;-2.74;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM435531;MM435531;CCC=C1CCN(C=N)C1;FOAZEGWYJVFVER-UHFFFAOYSA-N;138.21;1.64;;;;;DOPC;MDCG;27;1;"MARTINI bead: SN0_SP1";;;;;;;0.34;;-5.18;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM435532;MM435532;CC=CC#CC(C=O)=CN;JBZHPHHBXAWOCU-UHFFFAOYSA-N;135.17;0.61;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4_P2";;;;;;;1.09;;-0.38;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM435533;MM435533;C#CCC(=O)C#CC1CC1;QHIFUUWPNKWWHA-UHFFFAOYSA-N;132.16;0.99;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_SC5";;;;;;;1.64;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM435534;MM435534;CN(CCO)C1(CN)CC1;YDJQHHDVJWGPOY-UHFFFAOYSA-N;144.22;-0.6;;;;;DOPC;MDCG;27;1;"MARTINI bead: P2_SNd";;;;;;;-0.24;;-5.23;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM435535;MM435535;C#CC(N)C1CC1NCC;ISEVEMIVVMYBPM-UHFFFAOYSA-N;138.21;-0.06;;;;;DOPC;MDCG;27;1;"MARTINI bead: SNd_P2";;;;;;;-0.24;;-5.65;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM435536;MM435536;CC=CC1CC(C#N)N1C;VXTAOLUKFXPVON-UHFFFAOYSA-N;136.2;1.16;;;;;DOPC;MDCG;27;0;"MARTINI bead: SN0_SP1";;;;;;;0.34;;-1.53;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM435537;MM435537;N=CN1CCC(=CCN)C1;BPLMCXDLROTKEV-UHFFFAOYSA-N;139.2;0.18;;;;;DOPC;MDCG;27;1;"MARTINI bead: SP2_SP1";;;;;;;-1.06;;-7.42;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM435538;MM435538;CC=CC#CC(C#N)=CN;QDOLGSNJNZGZSE-UHFFFAOYSA-N;132.17;0.93;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4_P1";;;;;;;1.37;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM435539;MM435539;C#CCC(=C)C#CC1CN1;GVIYMDPEOUHJEO-UHFFFAOYSA-N;131.18;0.54;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4_SP1";;;;;;;1.37;;-0.05;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM435540;MM435540;CCC1(C(C)CCN)CN1;IYJKDXWQBWCRDU-UHFFFAOYSA-N;142.25;0.72;;;;;DOPC;MDCG;27;1;"MARTINI bead: SNd_Nd";;;;;;;0.87;;-4.91;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM435541;MM435541;C#CC(F)C1CC1NCC;YDSCVAHZLYNYHP-UHFFFAOYSA-N;141.19;0.96;;;;;DOPC;MDCG;27;1;"MARTINI bead: SNd_Na";;;;;;;0.87;;-4.29;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM435542;MM435542;CN1C(C#N)CC1C=NO;OAGIELRAKHJWHW-UHFFFAOYSA-N;139.16;0.04;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP2_SP1";;;;;;;-1.06;;-3.82;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM435543;MM435543;CCC=C1CCN(C=O)C1;BIGHRASGUQTXHN-UHFFFAOYSA-N;139.2;1.18;;;;;DOPC;MDCG;27;0;"MARTINI bead: SN0_SP1";;;;;;;0.34;;-1.53;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM435544;MM435544;NC=C(C#CC=CF)C=O;ZYPPZRWZXVOGQC-UHFFFAOYSA-N;139.13;0.51;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_C5";;;;;;;0.54;;-1.09;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM435545;MM435545;CC(CCO)C1(CN)CN1;LHFCEDJAPGMQMI-UHFFFAOYSA-N;144.22;-0.69;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nda_SP2";;;;;;;-0.24;;-5.29;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM435546;MM435546;C#CC1COC(=NN)C1;PBNRIRHZDNIRRH-UHFFFAOYSA-N;124.14;-0.07;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNda_SN0";;;;;;;1.17;;-1.13;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM435547;MM435547;C#CC(N)C1CC1OCC;NEXRHQOKORSGNP-UHFFFAOYSA-N;139.2;0.37;;;;;DOPC;MDCG;27;1;"MARTINI bead: SNa_P2";;;;;;;-0.24;;-5.01;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM435548;MM435548;CC1C(C=NN)CN1C=N;GCWYRMPLLJWHPE-UHFFFAOYSA-N;140.19;-0.14;;;;;DOPC;MDCG;27;1;"MARTINI bead: SP2_SNd";;;;;;;-0.24;;-6.73;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM435549;MM435549;NCC=C1CCN(C=O)C1;USQYOCPMQKXXDF-UHFFFAOYSA-N;140.19;-0.27;;;;;DOPC;MDCG;27;1;"MARTINI bead: SP2_SP1";;;;;;;-1.06;;-5.75;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM435550;MM435550;N#CC(C#CC=CF)=CN;QKMIJSIRGUCJJM-UHFFFAOYSA-N;136.13;0.84;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_C5";;;;;;;0.81;;-0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM435551;MM435551;CC(CCN)C1(CO)CN1;WTVIOUCXFKSGJJ-UHFFFAOYSA-N;144.22;-0.69;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_SP2";;;;;;;-0.24;;-5.93;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM435552;MM435552;C#CC(C)C1NC1CCN;QHJOTKFXKRYVJX-UHFFFAOYSA-N;138.21;-0.06;;;;;DOPC;MDCG;27;1;"MARTINI bead: C5_SP2";;;;;;;0.54;;-3.53;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM435553;MM435553;C#CCC(=C)C#CC1CO1;XBDODCRRINBDSH-UHFFFAOYSA-N;132.16;0.97;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4_SNa";;;;;;;2.2;;0.34;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM435554;MM435554;C=NN1CC(C=CC)C1C;XKBYGNPPSWGLGB-UHFFFAOYSA-N;138.21;1.5;;;;;DOPC;MDCG;27;0;"MARTINI bead: SN0_SN0";;;;;;;1.47;;-0.05;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM435555;MM435555;C=NN1CCC(=CCC)C1;DVIMQKXYBCCVDT-UHFFFAOYSA-N;138.21;1.64;;;;;DOPC;MDCG;27;0;"MARTINI bead: SN0_SP1";;;;;;;0.34;;-1.53;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM435556;MM435556;CC=CC#CC(C=O)=CF;KFOOSDYTHQUAAB-UHFFFAOYSA-N;138.14;1.62;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4_Na";;;;;;;2.2;;0.34;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM435557;MM435557;CCC1(C(C)CNC)CN1;DHHGPZABLJTSJU-UHFFFAOYSA-N;142.25;0.59;;;;;DOPC;MDCG;27;1;"MARTINI bead: SNd_Nd";;;;;;;0.87;;-5.03;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM435558;MM435558;CC=CC(C)C#CC1CN1;GJBNRCKQYWEFHD-UHFFFAOYSA-N;135.21;1.17;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1_SP1";;;;;;;2.08;;0.5;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM435559;MM435559;C#CC(N)C1NC1CCN;QECDCCDJJZQMJS-UHFFFAOYSA-N;139.2;-1.36;;;;;DOPC;MDCG;27;1;"MARTINI bead: SP2_P2";;;;;;;-1.34;;-6.76;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM435560;MM435560;C=CC1CN(N=CC)C1C;WPYVEDHLDXIRII-UHFFFAOYSA-N;138.21;1.5;;;;;DOPC;MDCG;27;0;"MARTINI bead: SN0_SP1";;;;;;;0.34;;-1.53;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM435561;MM435561;CC=CC#CC(C#N)=CF;WVJROPHUVGJLLE-UHFFFAOYSA-N;135.14;1.94;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4_Na";;;;;;;2.2;;0.34;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM435562;MM435562;C=NN1CCC(=CCN)C1;WVEUVEGYZKDYTD-UHFFFAOYSA-N;139.2;0.19;;;;;DOPC;MDCG;27;1;"MARTINI bead: SP2_SP1";;;;;;;-1.06;;-6.05;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM435563;MM435563;COCC(C)C1(CN)CN1;XCQCSRHFLYOIKP-UHFFFAOYSA-N;144.22;-0.43;;;;;DOPC;MDCG;27;1;"MARTINI bead: Na_SP2";;;;;;;-0.24;;-5.22;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM435564;MM435564;C#CC(O)C1NC1CCN;AQKFRWSTWJUFMN-UHFFFAOYSA-N;140.19;-1.33;;;;;DOPC;MDCG;27;1;"MARTINI bead: SP2_P2";;;;;;;-1.34;;-6.75;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM435565;MM435565;C=C(C#CC1CC1)C=CC;NZSLFNMLQOHUQC-UHFFFAOYSA-N;132.21;2.53;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1_SC5";;;;;;;3.68;;0.46;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM435566;MM435566;C#CC1CC(C=CC)C1C;WVHNWJFOMMXDME-UHFFFAOYSA-N;134.22;2.47;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC1_SC5";;;;;;;3.68;;0.46;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM435567;MM435567;CCC=C1CNN(C=N)C1;BIMBMPWJFNPPGF-UHFFFAOYSA-N;139.2;0.75;;;;;DOPC;MDCG;27;1;"MARTINI bead: SP1_SP3";;;;;;;-1.93;;-6.67;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM435568;MM435568;O=CC(C#CC=CF)=CF;WAWJZTFDWOQUIO-UHFFFAOYSA-N;142.1;1.53;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4_Na";;;;;;;2.2;;0.34;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM435569;MM435569;CCNC(C)C1(CC)CN1;PTFBUYMVFCIBRU-UHFFFAOYSA-N;142.25;0.74;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_SNd";;;;;;;0.87;;-4.54;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM435570;MM435570;C#CC(C)C1NC1CNC;WHRVCMLXDJNWLN-UHFFFAOYSA-N;138.21;-0.18;;;;;DOPC;MDCG;27;1;"MARTINI bead: SP2_C5";;;;;;;0.54;;-3.18;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM435571;MM435571;C#CC1CC(C=CC)C1N;BSLOYIZKTSXYKT-UHFFFAOYSA-N;135.21;1.16;;;;;DOPC;MDCG;27;1;"MARTINI bead: SC2_SNd";;;;;;;2.83;;-0.49;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM435572;MM435572;C=C(C#CC1CN1)C=CC;VFLPYYAPTRXKKY-UHFFFAOYSA-N;133.19;1.09;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1_SP1";;;;;;;2.08;;0.5;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM435573;MM435573;N#CC(C#CC=CF)=CF;OIKNZPUYXWRTLI-UHFFFAOYSA-N;139.1;1.85;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4_Na";;;;;;;2.2;;0.34;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM435574;MM435574;N=CN1CC(=CCN)CN1;ASIUGTDABMTWLV-UHFFFAOYSA-N;140.19;-0.7;;;;;DOPC;MDCG;27;1;"MARTINI bead: SP3_SP3";;;;;;;-3.07;;-8.37;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM435575;MM435575;C=CCC(C)C1(CC)CC1;YGOLRUKDAWEACW-UHFFFAOYSA-N;138.25;3.39;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC3_C1";;;;;;;4.61;;0.31;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM435576;MM435576;C#CC(N)C1NC1CNC;DOIFFJKLDVRAIR-UHFFFAOYSA-N;139.2;-1.49;;;;;DOPC;MDCG;27;1;"MARTINI bead: SP2_P2";;;;;;;-1.34;;-6.44;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM435577;MM435577;CC=CC1CC(OC)C1=O;OULRIJABEDCYPS-UHFFFAOYSA-N;140.18;1.17;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNa_SC5";;;;;;;1.64;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM435578;MM435578;C=C(C#CC1CO1)C=CC;DTRYZWJZDJMTBU-UHFFFAOYSA-N;134.18;1.52;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1_SNa";;;;;;;2.91;;0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM435579;MM435579;C=CC(C#CC=NN)=CC;AQITUEJHKATUCN-UHFFFAOYSA-N;134.18;1.07;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1_P1";;;;;;;2.08;;0.48;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM435580;MM435580;CCC=C1CNN(C=O)C1;PEAVDMTWTRZGJQ-UHFFFAOYSA-N;140.19;0.3;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP1_SP2";;;;;;;-1.06;;-3.82;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM435581;MM435581;CCC1(C(C)CC=O)CC1;KMPCWMNEMYWTNJ-UHFFFAOYSA-N;140.23;2.4;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC3_C5";;;;;;;3.34;;0.48;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM435582;MM435582;C#CC(C)C1OC1CCC;NZSHSKNHAIKCDK-UHFFFAOYSA-N;138.21;1.82;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNa_C5";;;;;;;1.64;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM435583;MM435583;CC1=NNC(C#N)(C=O)C1;PVYICXUPLWHBLS-UHFFFAOYSA-N;137.14;-0.18;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP1_SNda";;;;;;;0.04;;-2.73;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM435584;MM435584;CC#CC(C)C#CC1CC1;BXMKLOBJJFSFCM-UHFFFAOYSA-N;132.21;2.06;;;;;DOPC;MDCG;27;0;"MARTINI bead: C2_SC5";;;;;;;3.6;;0.34;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM435585;MM435585;NCC=C1CNN(C=O)C1;OIAWVHQZBWWWEH-UHFFFAOYSA-N;141.17;-1.15;;;;;DOPC;MDCG;27;1;"MARTINI bead: SP3_SP2";;;;;;;-2.2;;-7.11;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM435586;MM435586;C#CC(N)C1OC1CCC;ITIMPXJPZKZWPT-UHFFFAOYSA-N;139.2;0.51;;;;;DOPC;MDCG;27;1;"MARTINI bead: SNa_P2";;;;;;;-0.24;;-4.3;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM435587;MM435587;C=CC(C#CC=NO)=CC;OFJJDPUOFVYZSH-UHFFFAOYSA-N;135.17;1.58;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1_P1";;;;;;;2.08;;0.48;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM435588;MM435588;CCC1(C(C)CC#N)CC1;ZNHALYUIHZUGEM-UHFFFAOYSA-N;137.23;2.73;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC1_P1";;;;;;;2.08;;0.48;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM435589;MM435589;CC#CC(C)C#CC1CN1;AWNMMINIUDBULE-UHFFFAOYSA-N;133.19;0.62;;;;;DOPC;MDCG;27;0;"MARTINI bead: C2_SP1";;;;;;;2;;0.33;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM435590;MM435590;CC=CC1CN(NC)C1=O;UKMHSLNRUQYUAY-UHFFFAOYSA-N;140.19;0.16;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP2_SN0";;;;;;;0.06;;-2.21;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM435591;MM435591;N=CN1CC(=CCN)CO1;NJDHMAUKSGYACG-UHFFFAOYSA-N;141.17;-0.27;;;;;DOPC;MDCG;27;1;"MARTINI bead: SP2_SP1";;;;;;;-1.06;;-5.77;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM435592;MM435592;C=CC(C#CC=NN)=CF;RLUIEMXSMABHMW-UHFFFAOYSA-N;138.15;0.97;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_C4";;;;;;;1.37;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM435593;MM435593;C#CC(N)C1OC1CCN;MTUVVAJEPLEUGM-UHFFFAOYSA-N;140.19;-0.94;;;;;DOPC;MDCG;27;1;"MARTINI bead: SP1_P2";;;;;;;-1.06;;-6.53;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM435594;MM435594;C=CCC(C)C1(CN)CC1;JQCABOKRVRKRSX-UHFFFAOYSA-N;139.24;1.94;;;;;DOPC;MDCG;27;1;"MARTINI bead: C1_SNd";;;;;;;2.91;;-0.29;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM435595;MM435595;CC#CC(C)C#CC1CO1;AGZKYPLSZGBQRB-UHFFFAOYSA-N;134.18;1.05;;;;;DOPC;MDCG;27;0;"MARTINI bead: C2_SNa";;;;;;;2.83;;0.35;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM435596;MM435596;CCC(C)(O)CCC1CC1;ISNRSRXVDRBDAW-UHFFFAOYSA-N;142.24;2.34;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_SC5";;;;;;;2.41;;0.64;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM435597;MM435597;CCC=C1CON(C=O)C1;AMSSEIRBHNCQTE-UHFFFAOYSA-N;141.17;0.73;;;;;DOPC;MDCG;27;0;"MARTINI bead: SN0_SP2";;;;;;;0.06;;-2.21;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM435598;MM435598;C=CC(C#CC=NO)=CF;JPBAQKARUWBFPM-UHFFFAOYSA-N;139.13;1.49;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_C4";;;;;;;1.37;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM435599;MM435599;NN=c1nc(CF)n(N)o1;JKMIKNULTLPYIU-UHFFFAOYSA-N;147.11;-1.57;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNa_SP3";;;;;;;-1.1;;-4.2;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM435600;MM435600;C#CC(O)C1OC1CCC;YKPGTMTYZRZZNC-UHFFFAOYSA-N;140.18;0.55;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNa_P2";;;;;;;-0.24;;-3.24;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM435601;MM435601;C=C(C#CC)C#CC1CC1;WWDKFGSUJGJNMH-UHFFFAOYSA-N;130.19;1.98;;;;;DOPC;MDCG;27;0;"MARTINI bead: C3_SC5";;;;;;;3.34;;0.48;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM435602;MM435602;C=NN=CC(=N)NN=CC;YPQKQDOPOSTDEK-UHFFFAOYSA-N;139.16;0.25;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nd_Nd";;;;;;;0.87;;-2.11;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM435603;MM435603;NCC=C1CON(C=O)C1;FRDILQOLPFTHDE-UHFFFAOYSA-N;142.16;-0.72;;;;;DOPC;MDCG;27;1;"MARTINI bead: SP2_SP2";;;;;;;-1.34;;-6.24;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM435604;MM435604;CC=C(C#N)C#CC=NO;ZHFYHLOIEYQLMD-UHFFFAOYSA-N;134.14;0.92;;;;;DOPC;MDCG;27;0;"MARTINI bead: N0_P1";;;;;;;0.34;;-1.53;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM435605;MM435605;C=CCC(N)C1(CC)CC1;FFITYCCATLLSAU-UHFFFAOYSA-N;139.24;2.08;;;;;DOPC;MDCG;27;1;"MARTINI bead: SC3_Nd";;;;;;;2.57;;-1.46;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM435606;MM435606;C#CC(F)C1OC1CCC;SGXFWHVADUWEEV-UHFFFAOYSA-N;142.17;1.53;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNa_Na";;;;;;;0.87;;-2.22;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM435607;MM435607;CC#CC(=O)C#CC1CC1;IFBDNIIIEZGELW-UHFFFAOYSA-N;132.16;0.99;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_SC5";;;;;;;1.64;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM435608;MM435608;C=CC1CN(C=CC)C1=O;HKRYZOAHKOXLIG-UHFFFAOYSA-N;137.18;1.16;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNda_SP1";;;;;;;0.04;;-2.73;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM435609;MM435609;CCN=C1CCN(C=N)N1;KMYYNGFGSMWEIV-UHFFFAOYSA-N;140.19;0.22;;;;;DOPC;MDCG;27;1;"MARTINI bead: SP2_SP3";;;;;;;-2.2;;-7.08;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM435610;MM435610;CCC1(C(C)NC=N)CC1;BARGMVUQTWCPPN-UHFFFAOYSA-N;140.23;1.76;;;;;DOPC;MDCG;27;1;"MARTINI bead: SC3_P2";;;;;;;1.46;;-4.07;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM435611;MM435611;C=CC(C#CC=CC)=NN;MGQVAQMQTMLBOB-UHFFFAOYSA-N;134.18;1.07;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4_Nd";;;;;;;2.2;;0.32;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM435612;MM435612;C#CC(N)C1OC1CNC;FHPPXFQSWHTYPR-UHFFFAOYSA-N;140.19;-1.07;;;;;DOPC;MDCG;27;1;"MARTINI bead: SP2_P2";;;;;;;-1.34;;-6.54;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM435613;MM435613;C=C(C#CC)C#CC1CN1;DITJEERSUJHKDU-UHFFFAOYSA-N;131.18;0.54;;;;;DOPC;MDCG;27;0;"MARTINI bead: C3_SP1";;;;;;;1.74;;0.3;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM435614;MM435614;CC=CN1CC(C#N)C1=O;NZEGZPYTRAKSCZ-UHFFFAOYSA-N;136.15;0.5;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNda_SP2";;;;;;;-0.24;;-3.31;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM435615;MM435615;CCN=C1CCN(C=O)N1;JYLIUDRULCYRQF-UHFFFAOYSA-N;141.17;-0.23;;;;;DOPC;MDCG;27;1;"MARTINI bead: SP2_SP2";;;;;;;-1.34;;-5.58;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM435616;MM435616;C=CC(C#CC=CF)=NN;YUWWGTANPHYLHU-UHFFFAOYSA-N;138.15;0.97;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nd_C5";;;;;;;1.64;;0.02;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM435617;MM435617;C=Cc1nc(=NN)on1N;WKJTYBDMRCKCGR-UHFFFAOYSA-N;141.13;-1.39;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNa_SP3";;;;;;;-1.1;;-4.2;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM435618;MM435618;C#CC(N)C1CN1CCN;RELMVHFWEOMTTH-UHFFFAOYSA-N;139.2;-1.41;;;;;DOPC;MDCG;27;1;"MARTINI bead: SP2_P2";;;;;;;-1.34;;-6.31;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM435619;MM435619;C#CC1CN(C=CC)C1=O;ANJUGBWLDYYKJQ-UHFFFAOYSA-N;135.17;0.61;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nd_SP1";;;;;;;0.04;;-2.63;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM435620;MM435620;C=C(C#CC)C#CC1CO1;YFGTYEFAOKUGGS-UHFFFAOYSA-N;132.16;0.97;;;;;DOPC;MDCG;27;0;"MARTINI bead: C3_SNa";;;;;;;2.57;;0.45;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM435621;MM435621;CC(NC=N)C1(CN)CC1;LNEVXLXPKQMRRC-UHFFFAOYSA-N;141.22;0.31;;;;;DOPC;MDCG;27;1;"MARTINI bead: P2_SNd";;;;;;;-0.24;;-7.23;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM435622;MM435622;C=CC=C1CCC(C=C)C1;JUBBILHJAWPVHA-UHFFFAOYSA-N;134.22;3.08;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC2_SC2";;;;;;;4.78;;0.59;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM435623;MM435623;C=CC(C#CC=CC)=NO;MCQCIRMGMZDIGJ-UHFFFAOYSA-N;135.17;1.58;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4_Nda";;;;;;;2.2;;0.49;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM435624;MM435624;C=NNC=NCC=C(C)F;WQAHTVSJSSFAMG-UHFFFAOYSA-N;143.17;1.09;;;;;DOPC;MDCG;27;0;"MARTINI bead: C3_P2";;;;;;;1.46;;-0.15;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM435625;MM435625;CCC=C(C)C#CC1CC1;RJYBHTHTJFFIRL-UHFFFAOYSA-N;134.22;2.76;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1_SC5";;;;;;;3.68;;0.46;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM435626;MM435626;CCC(=O)OC=NN=CN;NHAHRAFJJLVVIZ-UHFFFAOYSA-N;143.15;-0.13;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_Nd";;;;;;;0.87;;-1.88;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM435627;MM435627;C=CC(C#CC=CF)=NO;PTWWEPDWEKMWNK-UHFFFAOYSA-N;139.13;1.49;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda_C5";;;;;;;1.64;;0.05;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM435628;MM435628;C=CC1CCC(=CC=O)C1;QVTGZBWMTCMONA-UHFFFAOYSA-N;136.19;2.1;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC2_SC5";;;;;;;3.6;;0.34;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM435629;MM435629;CC(NC=O)C1(CN)CC1;QRJFLWHPKMPVLY-UHFFFAOYSA-N;142.2;-0.14;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1_SNd";;;;;;;0.04;;-4.69;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM435630;MM435630;C#CC(F)C1CN1CCN;NUXUVMPAOSDYSK-UHFFFAOYSA-N;142.18;-0.4;;;;;DOPC;MDCG;27;1;"MARTINI bead: SP2_Na";;;;;;;-0.24;;-5.2;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM435631;MM435631;CON=C(C)C#CC1CC1;HZKQOUPKGLIDEL-UHFFFAOYSA-N;137.18;1.42;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_SC5";;;;;;;2.41;;0.64;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM435632;MM435632;CC#CC1CC(CC)C1C;SQJZKDZAAXEFDE-UHFFFAOYSA-N;136.24;2.69;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC1_SC3";;;;;;;4.61;;0.31;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM435633;MM435633;C=CC1CCC(=CC#N)C1;KNSNQPVEMBXQTN-UHFFFAOYSA-N;133.19;2.42;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC2_SC5";;;;;;;3.6;;0.34;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM435634;MM435634;NC(C#CC(=O)O)=CC=O;YWRMEZMSAXULNQ-UHFFFAOYSA-N;139.11;-0.88;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda_P2";;;;;;;-0.24;;-7.95;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM435635;MM435635;CC(NC=N)C1(CO)CC1;VIXYXSXTOULDCU-UHFFFAOYSA-N;142.2;0.34;;;;;DOPC;MDCG;27;1;"MARTINI bead: P2_SNda";;;;;;;-0.24;;-7.28;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM435636;MM435636;CC(C#CC1CN1)=CCN;XUWUNRYADMLWSV-UHFFFAOYSA-N;136.2;-0.13;;;;;DOPC;MDCG;27;1;"MARTINI bead: C5_SP1";;;;;;;0.81;;-2.7;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM435637;MM435637;CC#CC1CC(CN)C1C;ZGPKPPLICSTMEJ-UHFFFAOYSA-N;137.23;1.24;;;;;DOPC;MDCG;27;1;"MARTINI bead: SC3_SNd";;;;;;;2.57;;-1.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM435638;MM435638;C#CC(C)N1CC1CCN;LYFHGIZPIUVKTQ-UHFFFAOYSA-N;138.21;0.04;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1_SP2";;;;;;;-1.06;;-6.26;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM435639;MM435639;C=CC(C#CC=NO)=NN;BLCYWUHIGJLKOQ-UHFFFAOYSA-N;137.14;-0.05;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_P1";;;;;;;0.81;;-0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM435640;MM435640;C=CC=C1CCC(C=O)C1;VTSQBVTWVVYRTG-UHFFFAOYSA-N;136.19;2.1;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC2_SNa";;;;;;;2.83;;0.35;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM435641;MM435641;CC(NC=O)C1(CO)CC1;LIRPHHPBBUXLLQ-UHFFFAOYSA-N;143.19;-0.11;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_SNda";;;;;;;0.04;;-2.73;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM435642;MM435642;CC(C#CC1CO1)=CCN;HBLBXMYCOSFOQK-UHFFFAOYSA-N;137.18;0.29;;;;;DOPC;MDCG;27;1;"MARTINI bead: C5_SNa";;;;;;;1.64;;-2.15;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM435643;MM435643;CCn1nnc(NC)c1N;JSRNXNRRSPAAFP-UHFFFAOYSA-N;141.18;-0.08;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP1_SP1";;;;;;;-0.79;;-3.13;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM435644;MM435644;C#CC(C)C1CC1CC=C;BQDWRKQGAXRURU-UHFFFAOYSA-N;134.22;2.47;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_SC4";;;;;;;2.97;;0.45;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM435645;MM435645;CONC(=O)C(F)C(C)=O;KEDWWGQTBDZXDC-UHFFFAOYSA-N;149.12;-0.41;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_Na";;;;;;;-0.24;;-7.94;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM435646;MM435646;C=CC=C1CCC(C#N)C1;BLJWYEDAFWFQOL-UHFFFAOYSA-N;133.19;2.42;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC2_SC5";;;;;;;3.6;;0.34;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM435647;MM435647;C=NNC(C)C1(CC)CC1;CDCHQXDZIDNZFE-UHFFFAOYSA-N;140.23;1.77;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC3_Nd";;;;;;;2.57;;0.53;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM435648;MM435648;CC#CC1CC(CF)C1C;KGXDHHJOJZUOJQ-UHFFFAOYSA-N;140.2;2.25;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC3_SC5";;;;;;;3.34;;0.48;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM435649;MM435649;C=CC=C(C)C#CC1CC1;DNEBVTYEDSZTBH-UHFFFAOYSA-N;132.21;2.53;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1_SC5";;;;;;;3.68;;0.46;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM435650;MM435650;C#CC(C)C1CC1CC=O;UUCHZMZDBUUAOL-UHFFFAOYSA-N;136.19;1.48;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_SNa";;;;;;;1.64;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM435651;MM435651;O=CC=C1CCC(C=O)C1;SSKDGDVABXEEAY-UHFFFAOYSA-N;138.17;1.11;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC5_SNa";;;;;;;1.64;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM435652;MM435652;C#CC(C#CC=CC)=CC;YGEYBJMOMINHSR-UHFFFAOYSA-N;130.19;2.15;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4_C4";;;;;;;3.53;;0.53;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM435653;MM435653;C=NNC(C)C1(CN)CC1;FYYGVYLUPWHHLP-UHFFFAOYSA-N;141.22;0.32;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_SNd";;;;;;;0.87;;-4.27;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM435654;MM435654;CC#CC1CC(CC)C1N;YWSRDKGJCRLPAF-UHFFFAOYSA-N;137.23;1.38;;;;;DOPC;MDCG;27;1;"MARTINI bead: SNd_SC3";;;;;;;2.57;;-1.27;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM435655;MM435655;CC(C#CC1CC1)=CC=O;KEIVNNNJMLEYSG-UHFFFAOYSA-N;134.18;1.55;;;;;DOPC;MDCG;27;0;"MARTINI bead: N0_SC5";;;;;;;1.94;;0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM435656;MM435656;C#CC(C)C1CC1CC#N;SQPAIDLJQYPATK-UHFFFAOYSA-N;133.19;1.81;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_SC5";;;;;;;2.41;;0.64;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM435657;MM435657;C#CC(C#CC=CF)=CC;ABCXHFVIRDBSHT-UHFFFAOYSA-N;134.15;2.05;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4_C5";;;;;;;2.97;;0.45;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM435658;MM435658;N#CC=C1CCC(C=O)C1;UDULIJWFJNRSQH-UHFFFAOYSA-N;135.17;1.44;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNa_SC5";;;;;;;1.64;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM435659;MM435659;C=COC(C)C1(CC)CC1;VJEVLHJYMGCYOY-UHFFFAOYSA-N;140.23;2.73;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC3_C5";;;;;;;3.34;;0.48;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM435660;MM435660;CC(C#CC1CC1)=CC#N;ILUZUTKXRMFZIX-UHFFFAOYSA-N;131.18;1.87;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_SC5";;;;;;;2.41;;0.64;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM435661;MM435661;CC#CC1CC(CN)C1N;NNCHCROPTVPHRV-UHFFFAOYSA-N;138.21;-0.07;;;;;DOPC;MDCG;27;1;"MARTINI bead: SNd_SNd";;;;;;;0.87;;-4.77;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM435662;MM435662;C#CC(N)C1CC1CC=C;AANOKBZSZXNEQQ-UHFFFAOYSA-N;135.21;1.16;;;;;DOPC;MDCG;27;1;"MARTINI bead: P2_SC4";;;;;;;1.09;;-2.18;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM435663;MM435663;N#CC1CCC(=CC=O)C1;UGKPTMBNIHCRPF-UHFFFAOYSA-N;135.17;1.44;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC5_SC5";;;;;;;2.41;;0.64;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM435664;MM435664;C#CC(C#CC=CC)=CF;ZAJRJMOSXMMJCD-UHFFFAOYSA-N;134.15;2.05;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4_C5";;;;;;;2.97;;0.45;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM435665;MM435665;C=COC(C)C1(CO)CC1;BSTCIPJJHIKDHA-UHFFFAOYSA-N;142.2;1.31;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_SNda";;;;;;;1.64;;0.05;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM435666;MM435666;CC#CC1CC(CO)C1N;GDCJECQKTSUPND-UHFFFAOYSA-N;139.2;-0.03;;;;;DOPC;MDCG;27;1;"MARTINI bead: SC3_SP1";;;;;;;1.74;;-1.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM435667;MM435667;N#CC=C(N)C#CC1CC1;ZMYAELCIWUYAJX-UHFFFAOYSA-N;132.17;0.77;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nd_SC5";;;;;;;1.64;;0.02;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM435668;MM435668;C#CC(O)C1CC1CC=O;IBAPSVKBTLHCEI-UHFFFAOYSA-N;138.17;0.21;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_SNa";;;;;;;-0.24;;-3.24;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM435669;MM435669;N#CC=C1CCC(C#N)C1;WFXXFCTVHUVNGN-UHFFFAOYSA-N;132.17;1.76;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC5_SC5";;;;;;;2.41;;0.64;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM435670;MM435670;C#CC(C#CC=CF)=CF;OHQUXXISRXUYBE-UHFFFAOYSA-N;138.12;1.96;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4_C5";;;;;;;2.97;;0.45;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM435671;MM435671;C=NOC(C)C1(CC)CC1;CEZKPWCSNGWRHY-UHFFFAOYSA-N;141.21;2.2;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC3_Na";;;;;;;2.57;;0.45;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM435672;MM435672;N#CC=C(F)C#CC1CC1;OKESCFYHGBPIRF-UHFFFAOYSA-N;135.14;1.78;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_SC5";;;;;;;2.41;;0.64;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM435673;MM435673;C=CCNC=NN=CCC;JPJZSPKYWGBNJB-UHFFFAOYSA-N;139.2;1.19;;;;;DOPC;MDCG;27;0;"MARTINI bead: N0_Nd";;;;;;;1.17;;-1.04;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM435674;MM435674;C#CC(O)C1CC1CC#N;WCTYUCZJLSYJKK-UHFFFAOYSA-N;135.17;0.53;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_SC5";;;;;;;0.54;;-1.09;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM435675;MM435675;C=NN=C1CCC(C#N)C1;IOKFUFLIPCKGKV-UHFFFAOYSA-N;135.17;1.37;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC5_SC5";;;;;;;2.41;;0.64;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM435676;MM435676;C#CC(C#CC=NN)=CC;YFFLKEVXRZFIGQ-UHFFFAOYSA-N;132.17;0.51;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4_P1";;;;;;;1.37;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM435677;MM435677;C=CC=C(C)C#CC1CN1;GHBMSFRFNWHMHX-UHFFFAOYSA-N;133.19;1.09;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1_SP1";;;;;;;2.08;;0.5;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM435678;MM435678;C=NOC(C)C1(CN)CC1;LJRZAGMMSAXGJS-UHFFFAOYSA-N;142.2;0.75;;;;;DOPC;MDCG;27;1;"MARTINI bead: Na_SNd";;;;;;;0.87;;-4.31;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM435679;MM435679;CC#CC1CC(NC)C1C;VZZGKSFHUOIYQG-UHFFFAOYSA-N;137.23;1.25;;;;;DOPC;MDCG;27;1;"MARTINI bead: SNd_SC3";;;;;;;2.57;;-1.71;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM435680;MM435680;C#CC(O)C1CC1NC=N;CFTUDADDKOQCQS-UHFFFAOYSA-N;138.17;-0.43;;;;;DOPC;MDCG;27;1;"MARTINI bead: P2_SP1";;;;;;;-1.06;;-7.81;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM435681;MM435681;C=CC=C1CNC(C=C)C1;UMSZDLGHLBVUCN-UHFFFAOYSA-N;135.21;1.65;;;;;DOPC;MDCG;27;1;"MARTINI bead: SN0_SNd";;;;;;;1.17;;-3.53;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM435682;MM435682;C#CC(C#CC=NO)=CC;DBHYAHIMHUGSHQ-UHFFFAOYSA-N;133.15;1.03;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4_P1";;;;;;;1.37;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM435683;MM435683;CC(C#CC1CN1)=CC=O;NJLHHECIHIIEGV-UHFFFAOYSA-N;135.17;0.11;;;;;DOPC;MDCG;27;0;"MARTINI bead: N0_SP1";;;;;;;0.34;;-1.53;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM435684;MM435684;C#Cc1nc(=NN)on1C;TZAGXCCRSNPVAV-UHFFFAOYSA-N;138.13;-1.23;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP3_SP1";;;;;;;-1.93;;-4.72;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM435685;MM435685;CC#CC1CC(NC)C1N;FEVWQYYDKFYDQW-UHFFFAOYSA-N;138.21;-0.06;;;;;DOPC;MDCG;27;1;"MARTINI bead: SNd_SNd";;;;;;;0.87;;-4.61;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM435686;MM435686;C=CC1CC(=CC=O)CN1;YUNQJWYTKUCXKD-UHFFFAOYSA-N;137.18;0.66;;;;;DOPC;MDCG;27;1;"MARTINI bead: SNd_SP1";;;;;;;0.04;;-4.81;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM435687;MM435687;C#CC(C)C1CC1NN=C;GYTKLKMKYNVRLZ-UHFFFAOYSA-N;136.2;0.85;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_SNd";;;;;;;1.64;;0.02;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM435688;MM435688;C#CC(C#CC=NN)=CF;NHKYJYHLOODYIF-UHFFFAOYSA-N;136.13;0.42;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_C5";;;;;;;0.81;;-0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM435689;MM435689;CC(C#CC1CN1)=CC#N;OYFLAVANUAACLU-UHFFFAOYSA-N;132.17;0.43;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_SP1";;;;;;;0.81;;-0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM435690;MM435690;CNC1(C(C)NC=N)CC1;GPILJQGZNOLHHJ-UHFFFAOYSA-N;141.22;0.32;;;;;DOPC;MDCG;27;1;"MARTINI bead: SNd_P2";;;;;;;-0.24;;-6.98;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM435691;MM435691;C=CC1CC(=CC#N)CN1;ISKFNWXZQDWRSA-UHFFFAOYSA-N;134.18;0.98;;;;;DOPC;MDCG;27;1;"MARTINI bead: SNd_SP1";;;;;;;0.04;;-4.11;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM435692;MM435692;CC#CC1CC(NC)C1O;CRRJCGJYFFIQDV-UHFFFAOYSA-N;139.2;-0.02;;;;;DOPC;MDCG;27;1;"MARTINI bead: SNd_SNda";;;;;;;0.87;;-4.17;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM435693;MM435693;C#CC(C)C1CC1OC=C;USVLONFQABWWAL-UHFFFAOYSA-N;136.19;1.8;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_SNa";;;;;;;1.64;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM435694;MM435694;C#CC(C#CC=NO)=CF;QGRURHWGXPJXOF-UHFFFAOYSA-N;137.11;0.94;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_C5";;;;;;;0.81;;-0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM435695;MM435695;N#CC=C(N)C#CC1CN1;SYGZQJSXIKQSPJ-UHFFFAOYSA-N;133.15;-0.67;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nd_SP1";;;;;;;0.04;;-2.63;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM435696;MM435696;CNC1(C(C)NC=O)CC1;TWEBFGPCLSIJDW-UHFFFAOYSA-N;142.2;-0.13;;;;;DOPC;MDCG;27;1;"MARTINI bead: SNd_P1";;;;;;;0.04;;-4.71;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM435697;MM435697;CC#CC1CC(OC)C1N;HDWFKLDJQVJDGE-UHFFFAOYSA-N;139.2;0.37;;;;;DOPC;MDCG;27;1;"MARTINI bead: SNa_SNd";;;;;;;0.87;;-3.72;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM435698;MM435698;C=CC=C1CNC(C=O)C1;WVOKFFINJUOVNL-UHFFFAOYSA-N;137.18;0.66;;;;;DOPC;MDCG;27;1;"MARTINI bead: SN0_SP1";;;;;;;0.34;;-2.75;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM435699;MM435699;C#CC(C)C1CC1ON=C;DJVIERRFBCYXMT-UHFFFAOYSA-N;137.18;1.28;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_SNa";;;;;;;1.64;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM435700;MM435700;C#CC(C#CC=CC)=NN;LSDQPTJNFSETQT-UHFFFAOYSA-N;132.17;0.51;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4_P1";;;;;;;1.37;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM435701;MM435701;C=CC=C(F)C#CC1CN1;ATKKFDCGQWLMHJ-UHFFFAOYSA-N;137.16;1;;;;;DOPC;MDCG;27;0;"MARTINI bead: C3_SP1";;;;;;;1.74;;0.3;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM435702;MM435702;C=COC(C)C1(NC)CC1;CTRNTVKZDUKEMT-UHFFFAOYSA-N;141.21;1.29;;;;;DOPC;MDCG;27;1;"MARTINI bead: SNd_C5";;;;;;;1.64;;-2.11;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM435703;MM435703;CC#CC1NC(CC)C1C;YEWBEJMSOBPABE-UHFFFAOYSA-N;137.23;1.4;;;;;DOPC;MDCG;27;1;"MARTINI bead: SN0_SNd";;;;;;;1.17;;-3.29;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM435704;MM435704;C=CC=C1CNC(C#N)C1;UKGUERJELXIBGO-UHFFFAOYSA-N;134.18;0.98;;;;;DOPC;MDCG;27;0;"MARTINI bead: SN0_SP1";;;;;;;0.34;;-1.53;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM435705;MM435705;C#CC(N)C1CC1ON=C;QWYWQKJHVCCUII-UHFFFAOYSA-N;138.17;-0.03;;;;;DOPC;MDCG;27;1;"MARTINI bead: P2_SNa";;;;;;;-0.24;;-5.01;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM435706;MM435706;C#CC(C#CC=CF)=NN;HSKWODKKKCJCON-UHFFFAOYSA-N;136.13;0.42;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_C5";;;;;;;0.81;;-0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM435707;MM435707;N#CC=C(F)C#CC1CN1;QLZDXVZXYVCBAB-UHFFFAOYSA-N;136.13;0.34;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_SP1";;;;;;;0.81;;-0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM435708;MM435708;CC#CC1NC(CO)C1C;SHJMNKGRCYKFAS-UHFFFAOYSA-N;139.2;-0.02;;;;;DOPC;MDCG;27;1;"MARTINI bead: SNd_SP2";;;;;;;-0.24;;-4.68;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM435709;MM435709;C=NOC(C)C1(NC)CC1;NVNYNNZAJYCSDB-UHFFFAOYSA-N;142.2;0.76;;;;;DOPC;MDCG;27;1;"MARTINI bead: SNd_Na";;;;;;;0.87;;-3.19;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM435710;MM435710;N#CC1CC(=CC=O)CN1;PBRYNOCNAUPOKC-UHFFFAOYSA-N;136.15;;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP1_SP1";;;;;;;-0.79;;-3.13;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM435711;MM435711;C#CC(N)C1NC1CC=C;OUEOEEPDPNAKEV-UHFFFAOYSA-N;136.2;-0.14;;;;;DOPC;MDCG;27;1;"MARTINI bead: P2_SNd";;;;;;;-0.24;;-4.16;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM435712;MM435712;CC(C#CC1CO1)=CC#N;AOLYUJYUVJOAAZ-UHFFFAOYSA-N;133.15;0.86;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_SNa";;;;;;;1.64;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM435713;MM435713;C#CC(C#CC=CC)=NO;GJRPVQGWJKXSQU-UHFFFAOYSA-N;133.15;1.03;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4_P1";;;;;;;1.37;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM435714;MM435714;CC#CC1NC(CO)C1N;RFXDMZHJIMWBIC-UHFFFAOYSA-N;140.19;-1.33;;;;;DOPC;MDCG;27;1;"MARTINI bead: SP1_SP2";;;;;;;-1.06;;-4.85;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM435715;MM435715;C=NOC(C)C1(OC)CC1;RQUNQEHAEHDSEQ-UHFFFAOYSA-N;143.19;1.19;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNa_Na";;;;;;;0.87;;-2.22;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM435716;MM435716;N#CC=C1CNC(C#N)C1;QECSAYYURVMLOO-UHFFFAOYSA-N;133.15;0.32;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP1_SP1";;;;;;;-0.79;;-3.13;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM435717;MM435717;C#CC(C)C1OC1CC=C;BYTURFXQIPNANB-UHFFFAOYSA-N;136.19;1.6;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_SNa";;;;;;;1.64;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM435718;MM435718;C#CC1CCC(=NN)O1;SCHATZDWRKARDG-UHFFFAOYSA-N;124.14;0.07;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNda_SN0";;;;;;;1.17;;-1.13;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM435719;MM435719;C#CC(C#CC=CF)=NO;CWEMQDNTEPXLIQ-UHFFFAOYSA-N;137.11;0.94;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_C5";;;;;;;0.81;;-0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM435720;MM435720;CC#CC1OC(CN)C1C;KWEHHVUWTVJLGO-UHFFFAOYSA-N;139.2;0.37;;;;;DOPC;MDCG;27;1;"MARTINI bead: SC5_SP1";;;;;;;0.81;;-2.55;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM435721;MM435721;C=CCN(C)C1(CC)CC1;YAAPDRZDKAMDJW-UHFFFAOYSA-N;139.24;2.05;;;;;DOPC;MDCG;27;1;"MARTINI bead: SC3_Nd";;;;;;;2.57;;-0.86;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM435722;MM435722;C=NN=C1CNC(C#N)C1;QYMAZNRDWGQNBQ-UHFFFAOYSA-N;136.16;-0.07;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP1_SP1";;;;;;;-0.79;;-3.13;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM435723;MM435723;C#CC(C)C1OC1CC#N;PBGHCZBUHSDKJU-UHFFFAOYSA-N;135.17;0.94;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_SNa";;;;;;;1.64;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM435724;MM435724;N#CC=C(F)C#CC1CO1;BWJVZXVDYZDSQV-UHFFFAOYSA-N;137.11;0.77;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_SNa";;;;;;;1.64;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM435725;MM435725;CC#CC#CC(=CC)CC;LPQJGLYKFBRBBG-UHFFFAOYSA-N;132.21;2.37;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1_C4";;;;;;;4.24;;0.42;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM435726;MM435726;CC#CC1CC(CC)N1C;CYPCGBMFIVJQHM-UHFFFAOYSA-N;137.23;1.49;;;;;DOPC;MDCG;27;1;"MARTINI bead: SNd_SN0";;;;;;;1.17;;-2.23;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM435727;MM435727;C=CC=C1COC(C=C)C1;INEVBFPUIGEGEQ-UHFFFAOYSA-N;136.19;2.07;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC5_SNa";;;;;;;1.64;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM435728;MM435728;CN(NC=N)C1(CN)CC1;PYDYIVXGPGTMSG-UHFFFAOYSA-N;142.21;-0.48;;;;;DOPC;MDCG;27;1;"MARTINI bead: P4_SNd";;;;;;;-1.19;;-7.56;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM435729;MM435729;C#CC(O)C1OC1CC#N;JNTLLRLLPHMBQG-UHFFFAOYSA-N;137.14;-0.34;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_SNa";;;;;;;-0.24;;-3.24;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM435730;MM435730;C#CC=C(C)C#CC1CC1;XKLFLHRSCMJOMV-UHFFFAOYSA-N;130.19;1.98;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4_SC5";;;;;;;2.97;;0.45;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM435731;MM435731;CC#CC#CC(=CF)CC;MDYLQLNCHUUYBX-UHFFFAOYSA-N;136.17;2.28;;;;;DOPC;MDCG;27;0;"MARTINI bead: C3_C4";;;;;;;3.9;;0.47;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM435732;MM435732;CC#CC1CC(CN)N1C;PIGJYSUJHJKCSJ-UHFFFAOYSA-N;138.21;0.04;;;;;DOPC;MDCG;27;1;"MARTINI bead: SNd_SP2";;;;;;;-0.24;;-5.14;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM435733;MM435733;C#CC(C)C1CN1CC#N;UOYBSIHVJCUYEZ-UHFFFAOYSA-N;134.18;0.46;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_SP1";;;;;;;0.81;;-0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM435734;MM435734;CN(NC=O)C1(CN)CC1;MJUAUXVMBTUAAC-UHFFFAOYSA-N;143.19;-0.93;;;;;DOPC;MDCG;27;1;"MARTINI bead: P4_SNd";;;;;;;-1.19;;-6.45;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM435735;MM435735;C=CC1CC(=CC=O)CO1;LJMDPUFIIMVGPW-UHFFFAOYSA-N;138.17;1.09;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNa_SNa";;;;;;;0.87;;-2.22;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM435736;MM435736;CC#CC#CC(=CC)CN;XZIZDWNJXLYJSU-UHFFFAOYSA-N;133.19;0.92;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_C4";;;;;;;2.2;;-1.13;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM435737;MM435737;C#CC=C(C)C#CC1CN1;YTYPQCUXRGTGIZ-UHFFFAOYSA-N;131.18;0.54;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4_SP1";;;;;;;1.37;;-0.05;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM435738;MM435738;C=CC1CC(C#CC)C1C;RCSNQOLEDYRTQM-UHFFFAOYSA-N;134.22;2.47;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC3_SC4";;;;;;;3.9;;0.47;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM435739;MM435739;CN(NC=N)C1(CO)CC1;BNKUCASNCLQALB-UHFFFAOYSA-N;143.19;-0.45;;;;;DOPC;MDCG;27;1;"MARTINI bead: P4_SNda";;;;;;;-1.19;;-7.49;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM435740;MM435740;C#CC(O)C1CN1CC#N;MGABMCWKDOLZFK-UHFFFAOYSA-N;136.15;-0.81;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_SP1";;;;;;;-1.06;;-3.82;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM435741;MM435741;C=CC1CC(=CC#N)CO1;RPTZACRCTRSJII-UHFFFAOYSA-N;135.17;1.41;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNa_SN0";;;;;;;1.17;;-1.18;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM435742;MM435742;C#CC=C(C)C#CC1CO1;DJJYEMYJHIIQFK-UHFFFAOYSA-N;132.16;0.97;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4_SNa";;;;;;;2.2;;0.34;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM435743;MM435743;CC#CC#CC(=CF)CN;GZNCEPIMOPBNKB-UHFFFAOYSA-N;137.16;0.83;;;;;DOPC;MDCG;27;1;"MARTINI bead: C4_P1";;;;;;;1.37;;-1.51;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM435744;MM435744;CC#CC1CC(C=O)C1C;NTWLEZWQLUFUJD-UHFFFAOYSA-N;136.19;1.48;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC3_SNa";;;;;;;2.57;;0.45;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM435745;MM435745;CN(NC=O)C1(CO)CC1;PYJRXMUNXPEPFX-UHFFFAOYSA-N;144.17;-0.9;;;;;DOPC;MDCG;27;0;"MARTINI bead: P4_SNda";;;;;;;-1.19;;-4.91;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM435746;MM435746;C#CC(C)N1CC1CC=C;OWROSKNMGYNMOS-UHFFFAOYSA-N;135.21;1.27;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_SN0";;;;;;;0.34;;-1.53;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM435747;MM435747;C=CC=C1COC(C=O)C1;YZLCILLTLSVMAU-UHFFFAOYSA-N;138.17;1.09;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC5_SP1";;;;;;;0.81;;-0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM435748;MM435748;CC(=CCC1CC1)CCN;YMMXWVSBNCJYPV-UHFFFAOYSA-N;139.24;2.08;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_SC5";;;;;;;1.64;;-2.66;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM435749;MM435749;CC#CC#CC(=CC)CO;LBOYKXXZAZPOKN-UHFFFAOYSA-N;134.18;0.95;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda_C4";;;;;;;2.2;;0.49;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM435750;MM435750;CC#CC1CC(C#N)C1C;PNOIEINXUIOQBB-UHFFFAOYSA-N;133.19;1.81;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC3_SC5";;;;;;;3.34;;0.48;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM435751;MM435751;C=CCC(C)C1(CN)CN1;BIKACEOTGJOHEG-UHFFFAOYSA-N;140.23;0.5;;;;;DOPC;MDCG;27;1;"MARTINI bead: C1_SP2";;;;;;;1.8;;-0.89;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM435752;MM435752;C#CCC1CC1C(C)C#C;CVUVQDRTFRAGOX-UHFFFAOYSA-N;132.21;1.92;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_SC4";;;;;;;2.97;;0.45;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM435753;MM435753;C=CC=C1COC(C#N)C1;CQOVHLHZMPXQJF-UHFFFAOYSA-N;135.17;1.41;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC5_SNa";;;;;;;1.64;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM435754;MM435754;CCCC(C)=NNC1CC1;FGMWEUBPRNAGHL-UHFFFAOYSA-N;140.23;1.91;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4_SP1";;;;;;;1.37;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM435755;MM435755;CC#CC#CC(=CF)CO;LJRMZDVMPPBYMV-UHFFFAOYSA-N;138.14;0.86;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4_Nda";;;;;;;2.2;;0.49;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM435756;MM435756;CN=C1CCC(C#N)=NN1;ZDUIAMGKZJMSJD-UHFFFAOYSA-N;136.16;0.28;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNd_SP1";;;;;;;0.04;;-2.63;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM435757;MM435757;O=CC=C1COC(C=O)C1;RWIVGDYAGNHFIC-UHFFFAOYSA-N;140.14;0.1;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNa_SP1";;;;;;;0.04;;-2.54;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM435758;MM435758;C#CCC1CC1C(N)C#C;ONODMPFYYBQNKW-UHFFFAOYSA-N;133.19;0.61;;;;;DOPC;MDCG;27;1;"MARTINI bead: P2_SC4";;;;;;;1.09;;-2.18;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM435759;MM435759;CCC1(C(C)NC=N)CN1;DAALXPSQNHNAIR-UHFFFAOYSA-N;141.22;0.32;;;;;DOPC;MDCG;27;1;"MARTINI bead: SNd_P2";;;;;;;-0.24;;-6.96;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM435760;MM435760;CCCC(C)=CCC1CO1;XQKBMHBHNXQZOL-UHFFFAOYSA-N;140.23;2.52;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1_SNa";;;;;;;2.91;;0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM435761;MM435761;CC#CC#CC(=CC)CF;NDCUARBHSKZTIN-UHFFFAOYSA-N;136.17;1.93;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4_C4";;;;;;;3.53;;0.53;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM435762;MM435762;CC#CC1CC(C=O)C1O;ZPNADTMDKVSMMM-UHFFFAOYSA-N;138.17;0.21;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNda_SNa";;;;;;;0.87;;-1.99;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM435763;MM435763;N#CC=C1COC(C=O)C1;YYIKYSVXELPZMD-UHFFFAOYSA-N;137.14;0.42;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP1_SN0";;;;;;;0.34;;-1.53;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM435764;MM435764;C#CCC1CC1C(O)C#C;CBMLBPIWHVVZFZ-UHFFFAOYSA-N;134.18;0.64;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_SC4";;;;;;;1.09;;-0.38;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM435765;MM435765;CC(NC=O)C1(CN)CN1;MBFVEFIRVPKTSO-UHFFFAOYSA-N;143.19;-1.58;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1_SP2";;;;;;;-1.06;;-5.37;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM435766;MM435766;CCOC(C)=CCC1CO1;MALIXCMDRMCVOD-UHFFFAOYSA-N;142.2;1.72;;;;;DOPC;MDCG;27;0;"MARTINI bead: C3_SNa";;;;;;;2.57;;0.45;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM435767;MM435767;CC#CC#CC(=CF)CF;BEFGLIIHXYUCAR-UHFFFAOYSA-N;140.13;1.84;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4_C5";;;;;;;2.97;;0.45;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM435768;MM435768;CC#CC1NC(C#N)C1C;QDZAFULFIHRSEG-UHFFFAOYSA-N;134.18;0.51;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNd_SP2";;;;;;;-0.24;;-3.16;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM435769;MM435769;N#CC1CC(=CC=O)CO1;PKXKZCVTIVUYIL-UHFFFAOYSA-N;137.14;0.42;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNa_SNa";;;;;;;0.87;;-2.22;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM435770;MM435770;C#CCC1CC1C(F)C#C;DYKPKUJJVARUPF-UHFFFAOYSA-N;136.17;1.62;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_SC4";;;;;;;2.2;;0.34;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM435771;MM435771;C#Cc1nc(=NN)on1N;JXMPYDDPEYEWSU-UHFFFAOYSA-N;139.12;-2.05;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP1_SP3";;;;;;;-1.93;;-4.72;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM435772;MM435772;CCCC(F)=CCN1CC1;UKZDPWXORBKIDA-UHFFFAOYSA-N;143.21;1.96;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1_SP1";;;;;;;2.08;;0.48;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM435773;MM435773;CC#CC#CC(CC)=NN;LMAUURNJHKPHJA-UHFFFAOYSA-N;134.18;0.74;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nd_C4";;;;;;;2.2;;0.32;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM435774;MM435774;FC1(F)C=NNC1;FOQSOYYWRKFFPD-UHFFFAOYSA-N;106.08;0.21;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP1_SP1";;;;;;;-0.79;;-3.13;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM435775;MM435775;CNC(C#N)=C(N)C(C)=O;YXZKTNIAGVFLSF-UHFFFAOYSA-N;139.16;-0.51;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_Nda";;;;;;;-0.24;;-3.31;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM435776;MM435776;N#CC=C1COC(C#N)C1;XUACPABKOYHJFX-UHFFFAOYSA-N;134.14;0.75;;;;;DOPC;MDCG;27;0;"MARTINI bead: SN0_SNa";;;;;;;1.17;;-1.18;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM435777;MM435777;C=COC(C)C1(CN)CN1;DKRDBLVSXSSGCO-UHFFFAOYSA-N;142.2;-0.16;;;;;DOPC;MDCG;27;1;"MARTINI bead: C5_SP2";;;;;;;0.54;;-3;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM435778;MM435778;CCOC(C)=CCN1CC1;GDFMEOKLPYBRPD-UHFFFAOYSA-N;141.21;1.24;;;;;DOPC;MDCG;27;0;"MARTINI bead: C3_SP1";;;;;;;1.74;;0.29;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM435779;MM435779;CC#CC#CC(CC)=NO;BXYCBBOGCBZPHV-UHFFFAOYSA-N;135.17;1.25;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda_C4";;;;;;;2.2;;0.49;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM435780;MM435780;CNN=CCC(F)(F)F;PTZVLHOEMJDJEE-UHFFFAOYSA-N;140.11;1.14;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nd_N0";;;;;;;1.17;;-1.04;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM435781;MM435781;C#CCC1OC1C(C)C#C;MYZNQLQXBFVDOT-UHFFFAOYSA-N;134.18;1.05;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_SNa";;;;;;;1.64;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM435782;MM435782;C=CC1CNC(=CC=O)C1;HMDOTXQQPYQELA-UHFFFAOYSA-N;137.18;0.86;;;;;DOPC;MDCG;27;0;"MARTINI bead: SN0_SNda";;;;;;;1.17;;-1.13;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM435783;MM435783;C=NOC(C)C1(CC)CN1;HPJBQBJYIOAMOS-UHFFFAOYSA-N;142.2;0.76;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNd_Na";;;;;;;0.87;;-1.88;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM435784;MM435784;C=CCC(C)=CCC1CC1;KLUXYWIIFSSSKD-UHFFFAOYSA-N;136.24;3.31;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1_SC5";;;;;;;3.68;;0.46;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM435785;MM435785;N#CC1CC(C=O)N1;OBHIKRKAIARMLN-UHFFFAOYSA-N;110.12;-0.56;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP2_SP2";;;;;;;-1.34;;-4.31;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM435786;MM435786;C=CC1OC(C#CC)C1C;JCTLREQWDVWFMB-UHFFFAOYSA-N;136.19;1.6;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC5_SN0";;;;;;;1.94;;0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM435787;MM435787;C=CC1CNC(=CC#N)C1;OBDNXLNBCZTDDU-UHFFFAOYSA-N;134.18;1.19;;;;;DOPC;MDCG;27;0;"MARTINI bead: SN0_SNd";;;;;;;1.17;;-1.04;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM435788;MM435788;C#CCC1OC1C(N)C#C;JVEXBSPAVQXBGX-UHFFFAOYSA-N;135.17;-0.26;;;;;DOPC;MDCG;27;1;"MARTINI bead: P2_SNa";;;;;;;-0.24;;-4.3;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM435789;MM435789;N=Cn1ncc(N)cc1=N;NOKAZDFIRDQXIP-UHFFFAOYSA-N;137.15;-0.6;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP1_SP2";;;;;;;-1.06;;-3.82;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM435790;MM435790;CC(=CCC1CC1)CC#N;HQBBRVGZOXQAQM-UHFFFAOYSA-N;135.21;2.65;;;;;DOPC;MDCG;27;0;"MARTINI bead: N0_SC5";;;;;;;1.94;;0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM435791;MM435791;CC#CC#CC(CF)=NN;IHLLLCOPCHEWIF-UHFFFAOYSA-N;138.15;0.3;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4_P1";;;;;;;1.37;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM435792;MM435792;CC#CC1OC(C=O)C1C;FXNXYGLXUZMYRW-UHFFFAOYSA-N;138.17;0.61;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC5_SP1";;;;;;;0.81;;-0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM435793;MM435793;O=CC=C1CC(C=O)CN1;CPSZMXPTXQQCBK-UHFFFAOYSA-N;139.15;-0.12;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNda_SP2";;;;;;;-0.24;;-3.31;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM435794;MM435794;C#CCC1OC1C(O)C#C;NZEYXSQPZSWTDV-UHFFFAOYSA-N;136.15;-0.23;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_SNa";;;;;;;-0.24;;-3.24;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM435795;MM435795;CC(NC=O)C1(CN)CO1;DUPWGDWUTVDBRH-UHFFFAOYSA-N;144.17;-1.15;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1_SP2";;;;;;;-1.06;;-5.43;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM435796;MM435796;CC(=CCC1CC1)NC=N;UGYCXLJBUJPKQZ-UHFFFAOYSA-N;138.21;1.89;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_SC5";;;;;;;1.64;;-3.76;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM435797;MM435797;CCOC=NN=CC(=O)O;DNZDQLIUWWDDKF-UHFFFAOYSA-N;144.13;0.12;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_P2";;;;;;;-0.24;;-7.94;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM435798;MM435798;CC#CC1OC(C#N)C1C;HDURFVXLHOFCER-UHFFFAOYSA-N;135.17;0.94;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC5_SP1";;;;;;;0.81;;-0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM435799;MM435799;NN=CON=CC1CO1;XLEKDUZJWZIBLG-UHFFFAOYSA-N;129.12;-0.71;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_SNa";;;;;;;-0.24;;-3.24;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM435800;MM435800;C#CCC1OC1C(F)C#C;ZAXUAVLWHPQYSH-UHFFFAOYSA-N;138.14;0.75;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_SNa";;;;;;;0.87;;-2.22;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM435801;MM435801;C=CCC(C)=COC1CC1;PRXIMSVNKXIZBC-UHFFFAOYSA-N;138.21;2.65;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1_SP1";;;;;;;2.08;;0.48;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM435802;MM435802;CC(NC=O)C1(CO)CO1;JWMICRVEOMLDOC-UHFFFAOYSA-N;145.16;-1.12;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_SP2";;;;;;;-1.06;;-3.82;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM435803;MM435803;CC#CC#CC(=NC)NC;DHOUUWLAJITNPH-UHFFFAOYSA-N;134.18;0.26;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1_C4";;;;;;;1.37;;-1.28;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM435804;MM435804;C#CCN1CC1C(C)C#C;YGGNRUHGTYDTDG-UHFFFAOYSA-N;133.19;0.57;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_SNd";;;;;;;1.64;;0.03;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM435805;MM435805;CC(F)CC(F)C=NN;DDSWZKVMJMANIV-UHFFFAOYSA-N;136.15;1.02;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_P1";;;;;;;0.81;;-0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM435806;MM435806;N#CC1CNC(=CC=O)C1;LVAPUWWDGDWTNF-UHFFFAOYSA-N;136.15;0.2;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNda_SP1";;;;;;;0.04;;-2.73;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM435807;MM435807;C=NOC(C)C1(CC)CO1;SUFABPXBSDCEPU-UHFFFAOYSA-N;143.19;1.19;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNa_Na";;;;;;;0.87;;-2.22;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM435808;MM435808;CC(CC#N)=NOC1CC1;GBBSEMPPYSTEJG-UHFFFAOYSA-N;138.17;1.45;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_SP1";;;;;;;-0.79;;-3.13;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM435809;MM435809;C=CC=CCC(C)(C)O;QHTYFQNJEIYGDG-UHFFFAOYSA-N;126.2;1.89;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda_C1";;;;;;;2.91;;0.57;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM435810;MM435810;C=NOC(=NOC)NNC;IGTCRKDWHPQEQU-UHFFFAOYSA-N;146.15;-0.74;;;;;DOPC;MDCG;27;0;"MARTINI bead: P3_Na";;;;;;;-1.1;;-4.2;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM435811;MM435811;CC#CC1CC(C#N)N1C;IVNXGBGKQNACFF-UHFFFAOYSA-N;134.18;0.61;;;;;DOPC;MDCG;27;0;"MARTINI bead: SN0_SP1";;;;;;;0.34;;-1.53;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM435812;MM435812;N#CC=C1CC(C#N)CN1;FCFVUPKVPRGOBL-UHFFFAOYSA-N;133.15;0.53;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNd_SP1";;;;;;;0.04;;-2.63;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM435813;MM435813;C=CC1(C(C)CCC)CC1;GBUIUKFOLMWLBC-UHFFFAOYSA-N;138.25;3.39;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1_SC4";;;;;;;4.24;;0.42;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM435814;MM435814;CC(=CCC1CN1)NC=N;VLEZNGUYROSAEZ-UHFFFAOYSA-N;139.2;0.45;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_SP1";;;;;;;0.04;;-6.47;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM435815;MM435815;CC(C)(O)CC=CC=O;BBEQVNHKFMZMQX-UHFFFAOYSA-N;128.17;0.9;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda_Na";;;;;;;0.87;;-1.99;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM435816;MM435816;C#CCC1CN1C(C)C#C;OADFFAQADPCQFJ-UHFFFAOYSA-N;133.19;0.72;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_SP1";;;;;;;-0.79;;-3.13;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM435817;MM435817;CC#CC1CN(C=N)C1C;DTXXQOXSGJCDNZ-UHFFFAOYSA-N;136.2;0.94;;;;;DOPC;MDCG;27;1;"MARTINI bead: SN0_SNd";;;;;;;1.17;;-4.38;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM435818;MM435818;CCCC(C)C1(C=O)CC1;UPPSEBBMMDNUHZ-UHFFFAOYSA-N;140.23;2.4;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1_SNa";;;;;;;2.91;;0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM435819;MM435819;C=CCC(C)=CCC1CO1;XVFHBISTJUYSCI-UHFFFAOYSA-N;138.21;2.3;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1_SNa";;;;;;;2.91;;0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM435820;MM435820;C=CC1CN=C(NC=N)C1;ZGFLNMKSICFXPU-UHFFFAOYSA-N;137.19;0.79;;;;;DOPC;MDCG;27;1;"MARTINI bead: SC5_SNd";;;;;;;1.64;;-1.76;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM435821;MM435821;C=C(CC)C1CC1CCN;NGRPJROVXRREFV-UHFFFAOYSA-N;139.24;1.94;;;;;DOPC;MDCG;27;1;"MARTINI bead: C1_SNd";;;;;;;2.91;;-0.55;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM435822;MM435822;CC#CC#CC(=NO)NO;IYKSXFWSGKZQHM-UHFFFAOYSA-N;138.13;-0.22;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4_P2";;;;;;;1.09;;-0.37;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM435823;MM435823;CC#CC1CN(C=O)C1C;MYPAPQTYGXXGRF-UHFFFAOYSA-N;137.18;0.49;;;;;DOPC;MDCG;27;0;"MARTINI bead: SN0_SNda";;;;;;;1.17;;-1.13;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM435824;MM435824;C=CC1(C(N)CCC)CC1;ZRRKCTPUMBVJIZ-UHFFFAOYSA-N;139.24;2.08;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_SC4";;;;;;;2.2;;-2.16;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM435825;MM435825;CC(=CCC1CO1)CC#N;NTXNQXXTWSESKX-UHFFFAOYSA-N;137.18;1.64;;;;;DOPC;MDCG;27;0;"MARTINI bead: N0_SNa";;;;;;;1.17;;-1.18;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM435826;MM435826;N#CC1CN=C(NC=N)C1;ZPSIZVRUPFCSMC-UHFFFAOYSA-N;136.16;0.13;;;;;DOPC;MDCG;27;1;"MARTINI bead: SNd_SP1";;;;;;;0.04;;-4.36;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM435827;MM435827;C=C(CN)C1CC1CCN;WXMUDPAWIPJOML-UHFFFAOYSA-N;140.23;0.49;;;;;DOPC;MDCG;27;1;"MARTINI bead: SNd_Nd";;;;;;;0.87;;-5.02;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM435828;MM435828;CC#CC#CC(=CC)OC;SKGREDCQCPPKFM-UHFFFAOYSA-N;134.18;1.56;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_C4";;;;;;;2.97;;0.45;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM435829;MM435829;C=CC1(C(N)CCF)CC1;MABSQQZZCYWJOL-UHFFFAOYSA-N;143.21;1.64;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1_SC4";;;;;;;1.37;;-2.59;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM435830;MM435830;C=NN1CC(C#CC)C1C;NILARDPVAKEFBP-UHFFFAOYSA-N;136.2;0.95;;;;;DOPC;MDCG;27;0;"MARTINI bead: SN0_SN0";;;;;;;1.47;;-0.05;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM435831;MM435831;C=CCC(C)=CCN1CC1;AQLVVGBPWIFSRU-UHFFFAOYSA-N;137.23;1.82;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1_SP1";;;;;;;2.08;;0.5;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM435832;MM435832;C=C(C=CC)CC(C)(C)O;AVYODWGLHLXNDR-UHFFFAOYSA-N;140.23;2.28;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1_Nda";;;;;;;2.91;;0.57;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM435833;MM435833;C=C(CF)C1CC1CCC;CQVNCRSVYXBGNM-UHFFFAOYSA-N;142.22;2.95;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC2_C4";;;;;;;4.16;;0.44;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM435834;MM435834;C#CC1CC(C#CC)C1C;XZMQJAJRXOHRCC-UHFFFAOYSA-N;132.21;1.92;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC3_SC5";;;;;;;3.34;;0.48;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM435835;MM435835;CC#CC#CC(=CF)OC;JZCSJMGOJFOUMI-UHFFFAOYSA-N;138.14;1.47;;;;;DOPC;MDCG;27;0;"MARTINI bead: N0_C4";;;;;;;2.5;;0.44;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM435836;MM435836;C=CC1(C(C)CNC)CC1;NIPIEFOSSQFQQC-UHFFFAOYSA-N;139.24;1.81;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_SC4";;;;;;;2.2;;-2.71;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM435837;MM435837;CC=C1COC(=NN)C1;HISJNGBSUSIBFH-UHFFFAOYSA-N;126.16;0.63;;;;;DOPC;MDCG;27;0;"MARTINI bead: SN0_SNda";;;;;;;1.17;;-1.13;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM435838;MM435838;N#CC1CC(NC=N)=NN1;WGHGXWFGHVRTOA-UHFFFAOYSA-N;137.15;-0.62;;;;;DOPC;MDCG;27;1;"MARTINI bead: SP2_SP1";;;;;;;-1.06;;-4.93;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM435839;MM435839;CCCC1CC1C(=O)CC;QGSXZIVDIFRMLJ-UHFFFAOYSA-N;140.23;2.4;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC2_Na";;;;;;;2.83;;0.35;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM435840;MM435840;C#CC1CC(C#CC)C1N;WSKBMKBWYJREAA-UHFFFAOYSA-N;133.19;0.61;;;;;DOPC;MDCG;27;1;"MARTINI bead: SNd_SC5";;;;;;;1.64;;-2.11;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM435841;MM435841;CC(=CCN1CC1)CC#N;JUHLPCZFVYXTFD-UHFFFAOYSA-N;136.2;1.16;;;;;DOPC;MDCG;27;0;"MARTINI bead: N0_SP1";;;;;;;0.34;;-1.53;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM435842;MM435842;CNCC(C)C1(C=O)CC1;MYRVTHWNXOMZQC-UHFFFAOYSA-N;141.21;0.82;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_SNa";;;;;;;0.87;;-4.88;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM435843;MM435843;C=C(C)C1(O)CC(C)C1;OAONNHPNBRYKEO-UHFFFAOYSA-N;126.2;1.72;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC4_SNda";;;;;;;2.2;;0.49;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM435844;MM435844;C=CC=C1CC(C=C)CO1;BJSVRFSYCXYOFP-UHFFFAOYSA-N;136.19;2.28;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC5_SN0";;;;;;;1.94;;0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM435845;MM435845;CC1CN(C=O)CC1=O;HYGIBNJLLJASRW-UHFFFAOYSA-N;127.14;-0.34;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP1_SP2";;;;;;;-1.06;;-3.82;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM435846;MM435846;CCCC1CC1C(=O)CO;KSARSNONDRNDDB-UHFFFAOYSA-N;142.2;0.98;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC2_P2";;;;;;;1.72;;0.27;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM435847;MM435847;CC(=CCN1CC1)NC=N;BILBXIOJYMPZHL-UHFFFAOYSA-N;139.2;0.4;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_SP1";;;;;;;0.04;;-6.36;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM435848;MM435848;CNCC(C)C1(C#N)CC1;OSWJVXKFXUWBHA-UHFFFAOYSA-N;138.21;1.15;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_SN0";;;;;;;1.17;;-3.35;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM435849;MM435849;C=CC(C#CC#CC)=CC;CADZXZBNJFAITH-UHFFFAOYSA-N;130.19;2.15;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1_C4";;;;;;;4.24;;0.42;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM435850;MM435850;C=CC1COC(=CC=O)C1;ARMRPSVXGMSPTE-UHFFFAOYSA-N;138.17;1.29;;;;;DOPC;MDCG;27;0;"MARTINI bead: SN0_SNa";;;;;;;1.17;;-1.18;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM435851;MM435851;CC#CC1CC(CC)C1=O;CWYYFWFLMAMIGB-UHFFFAOYSA-N;136.19;1.62;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC2_SNa";;;;;;;2.83;;0.35;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM435852;MM435852;C=CC1(C(C)COC)CC1;VAYUBGRKFKKHLM-UHFFFAOYSA-N;140.23;2.24;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_SC4";;;;;;;2.2;;0.34;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM435853;MM435853;C=CC(C#CC#CC)=CF;VQKHHTKYPGPGFY-UHFFFAOYSA-N;134.15;2.05;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4_C4";;;;;;;3.53;;0.53;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM435854;MM435854;O=C(CO)C1CC1CCO;GAJCWFZSDNFBFE-UHFFFAOYSA-N;144.17;-0.43;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNda_P2";;;;;;;-0.24;;-3.31;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM435855;MM435855;C#CCC(C)=CCC1CC1;WARKTQNSZSWQGK-UHFFFAOYSA-N;134.22;2.76;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4_SC5";;;;;;;2.97;;0.45;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM435856;MM435856;C=CC1COC(=CC#N)C1;IAFUYGJGUBMDMQ-UHFFFAOYSA-N;135.17;1.62;;;;;DOPC;MDCG;27;0;"MARTINI bead: SN0_SNa";;;;;;;1.17;;-1.18;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM435857;MM435857;CC#CC1CC(CO)C1=O;KSFNKUQICXCNEZ-UHFFFAOYSA-N;138.17;0.21;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNa_SNda";;;;;;;0.87;;-1.99;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM435858;MM435858;O=C(CF)C1CC1CCO;IELZRYJVCJBBJM-UHFFFAOYSA-N;146.16;0.54;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNda_Na";;;;;;;0.87;;-1.99;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM435859;MM435859;CC#CC#CC(C=O)=CC;GKSAVQVHMDZYRW-UHFFFAOYSA-N;132.16;1.16;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_C4";;;;;;;2.2;;0.34;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM435860;MM435860;C=CC1(C(C)NCC)CC1;MFNSLDJQQNZSQD-UHFFFAOYSA-N;139.24;1.95;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_SC4";;;;;;;2.2;;-2.53;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM435861;MM435861;C#CCC(F)=CCC1CC1;XEKSQHXWDCARAE-UHFFFAOYSA-N;138.19;2.66;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_SC5";;;;;;;2.41;;0.64;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM435862;MM435862;C=CC=C1CC(C#N)CO1;VWUHXYXRLYHIDX-UHFFFAOYSA-N;135.17;1.62;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC5_SP1";;;;;;;0.81;;-0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM435863;MM435863;CC#CC1CC(CF)C1=O;LSEYGLFECLGJIG-UHFFFAOYSA-N;140.16;1.18;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNa_SC5";;;;;;;1.64;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM435864;MM435864;CCC(=O)C1CC1CNC;SOAQCPVCSBRTGS-UHFFFAOYSA-N;141.21;0.82;;;;;DOPC;MDCG;27;1;"MARTINI bead: Na_SNd";;;;;;;0.87;;-4.76;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM435865;MM435865;C#CCC(C)=NNC1CC1;HLKDVPNCGLORQM-UHFFFAOYSA-N;136.2;1.14;;;;;DOPC;MDCG;27;0;"MARTINI bead: N0_SP1";;;;;;;0.34;;-1.53;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM435866;MM435866;CC#CC#CC(C#N)=CC;FFXZJJRNJSUHLH-UHFFFAOYSA-N;129.16;1.48;;;;;DOPC;MDCG;27;0;"MARTINI bead: N0_C4";;;;;;;2.5;;0.44;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM435867;MM435867;CCNC(C)C1(C=O)CC1;FPCCFXNWBBDDRZ-UHFFFAOYSA-N;141.21;0.96;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_SNa";;;;;;;0.87;;-4.62;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM435868;MM435868;N#CC=C1CC(C=O)CO1;HZYBEBQTOQJHED-UHFFFAOYSA-N;137.14;0.63;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP1_SNa";;;;;;;0.04;;-2.54;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM435869;MM435869;CC#CC1CC(OC)C1=O;HBAOXTBCUJNVHJ-UHFFFAOYSA-N;138.17;0.61;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNa_SNa";;;;;;;0.87;;-2.22;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM435870;MM435870;CCCC1CC1C(=N)NC;BPJLYGTYHKBZER-UHFFFAOYSA-N;140.23;1.62;;;;;DOPC;MDCG;27;1;"MARTINI bead: SC2_P1";;;;;;;2;;-3.79;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM435871;MM435871;C#CCC(C)=CCC1CO1;ZLMGITDUPPIPFU-UHFFFAOYSA-N;136.19;1.74;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4_SNa";;;;;;;2.2;;0.34;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM435872;MM435872;CC#CC#CC(C=O)=CN;XVKZHNITMSTMPO-UHFFFAOYSA-N;133.15;0.05;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4_P2";;;;;;;1.09;;-0.38;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM435873;MM435873;C=CC1(C(C)OCC)CC1;RTTRDLAJZSTNJZ-UHFFFAOYSA-N;140.23;2.38;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_SC4";;;;;;;2.97;;0.45;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM435874;MM435874;N#CC=C1CC(C#N)CO1;HMROYCWMZBYEKR-UHFFFAOYSA-N;134.14;0.95;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNa_SP1";;;;;;;0.04;;-2.54;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM435875;MM435875;C=C1N=C(C#N)NC1=N;WJSJDGMNIIOMFV-UHFFFAOYSA-N;120.12;;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP1_SP1";;;;;;;-0.79;;-3.13;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM435876;MM435876;CNC(=N)C1CC1CCN;RIBWROSJJZVSAY-UHFFFAOYSA-N;141.22;0.17;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1_SNd";;;;;;;0.04;;-7.78;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM435877;MM435877;C#CCC(F)=CCC1CO1;LIOXSTVGTOPVNY-UHFFFAOYSA-N;140.16;1.65;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_SNa";;;;;;;1.64;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM435878;MM435878;CC#CC#CC(C#N)=CN;URPCTXVOBUDTCV-UHFFFAOYSA-N;130.15;0.38;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4_P1";;;;;;;1.37;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM435879;MM435879;C=CC1CCC(=CC=O)N1;YZCXRZFXWRFFBQ-UHFFFAOYSA-N;137.18;1.01;;;;;DOPC;MDCG;27;0;"MARTINI bead: SN0_SNda";;;;;;;1.17;;-1.13;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM435880;MM435880;CCOC(C)C1(C=O)CC1;FGGFIQLHTIKGEJ-UHFFFAOYSA-N;142.2;1.39;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_SNa";;;;;;;1.64;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM435881;MM435881;C=C1CC2(O)CC1C2C;SBIBXMRGXHBHQY-UHFFFAOYSA-N;124.18;1.33;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNda_SC4";;;;;;;2.2;;0.49;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM435882;MM435882;N=C(NN)C1CC1CCO;ZSZXKXIFWWMIDF-UHFFFAOYSA-N;143.19;-0.55;;;;;DOPC;MDCG;27;1;"MARTINI bead: P2_SNda";;;;;;;-0.24;;-6.91;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM435883;MM435883;C#CCC(C)=CCN1CC1;BPONPDNTZHFAOW-UHFFFAOYSA-N;135.21;1.27;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4_SP1";;;;;;;1.37;;-0.05;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM435884;MM435884;CCOC(C)C1(C#N)CC1;OVCPJYMQDHJUBU-UHFFFAOYSA-N;139.2;1.72;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_SN0";;;;;;;1.94;;0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM435885;MM435885;CC#CC#CC(C=O)=CF;COTNSBBYDNTKIV-UHFFFAOYSA-N;136.13;1.07;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4_Na";;;;;;;2.2;;0.34;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM435886;MM435886;C=CC1CCC(=CC#N)N1;MDAQNSUPZJRKOV-UHFFFAOYSA-N;134.18;1.33;;;;;DOPC;MDCG;27;0;"MARTINI bead: SN0_SNd";;;;;;;1.17;;-1.04;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM435887;MM435887;CC#CC1CN(OC)C1=O;FQRXWUJVZQUFAT-UHFFFAOYSA-N;139.15;0.03;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP1_SN0";;;;;;;0.34;;-1.53;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM435888;MM435888;CNC(=O)C1CC1CCN;CQTJYTYTGYAJKP-UHFFFAOYSA-N;142.2;-0.28;;;;;DOPC;MDCG;27;1;"MARTINI bead: P2_SNd";;;;;;;-0.24;;-5.64;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM435889;MM435889;C=CC1(C(C)CCN)CN1;QBLJEIPMRUZGTC-UHFFFAOYSA-N;140.23;0.5;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_SP1";;;;;;;0.04;;-5.42;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM435890;MM435890;C#CCC(F)=CCN1CC1;VEQMKQMBXSOFAT-UHFFFAOYSA-N;139.17;1.18;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_SP1";;;;;;;0.81;;-0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM435891;MM435891;C=C(C=CF)CC(C)(C)O;ZMWJWGGIUKLMCT-UHFFFAOYSA-N;144.19;2.19;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda_C4";;;;;;;2.2;;0.49;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM435892;MM435892;CC#CC#CC(C#N)=CF;WZBKUDQKXYDYJB-UHFFFAOYSA-N;133.13;1.39;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4_Na";;;;;;;2.2;;0.34;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM435893;MM435893;O=C(NO)C1CC1CCO;YJGLWWGLSIRDMA-UHFFFAOYSA-N;145.16;-0.49;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNda_P3";;;;;;;-1.1;;-3.97;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM435894;MM435894;C=CC1CC(C#CC)C1=O;UOGFUYKGZREOJK-UHFFFAOYSA-N;134.18;1.4;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNa_SC4";;;;;;;2.2;;0.34;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM435895;MM435895;C=CC1(C(N)CCF)CN1;IFUTUZGTHNAENO-UHFFFAOYSA-N;144.19;0.2;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1_SP1";;;;;;;-0.79;;-5.29;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM435896;MM435896;CC=CC(C)=CCC1CC1;UVFSFMMSBRLCGM-UHFFFAOYSA-N;136.24;3.31;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1_SC5";;;;;;;3.68;;0.46;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM435897;MM435897;N#CC1CCC(=CC=O)N1;KCWCPPQRHYIEDH-UHFFFAOYSA-N;136.15;0.34;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNda_SP1";;;;;;;0.04;;-2.73;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM435898;MM435898;C=CC(C#CC#CC)=NN;MCHWDKQKTLSDIB-UHFFFAOYSA-N;132.17;0.51;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4_Nd";;;;;;;2.2;;0.32;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM435899;MM435899;C=CC1(C(C)NCC)CN1;DBOHHKOKTSGGJT-UHFFFAOYSA-N;140.23;0.51;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_SP1";;;;;;;0.04;;-4.95;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM435900;MM435900;CNCC1CC1C(=O)NC;WSYVHDLNLOEALE-UHFFFAOYSA-N;142.2;-0.41;;;;;DOPC;MDCG;27;1;"MARTINI bead: SNd_P2";;;;;;;-0.24;;-6.12;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM435901;MM435901;CC#CC1NC(C#N)C1=O;PXCCNVHCFIHXNF-UHFFFAOYSA-N;134.14;-0.56;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP1_SP2";;;;;;;-1.06;;-3.82;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM435902;MM435902;CC=CC(C)=COC1CC1;JSTAZHADSMKFML-UHFFFAOYSA-N;138.21;2.65;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1_SP1";;;;;;;2.08;;0.48;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM435903;MM435903;N#CC=C1CCC(C#N)N1;XUNFDWCGFPKHBT-UHFFFAOYSA-N;133.15;0.67;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNd_SP1";;;;;;;0.04;;-2.63;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM435904;MM435904;C=CC(C#CC#CC)=NO;FGODQDKBOZYXAK-UHFFFAOYSA-N;133.15;1.03;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4_Nda";;;;;;;2.2;;0.49;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM435905;MM435905;C=C(OC)C1CC1CCN;QGNBXFITVKWLCF-UHFFFAOYSA-N;141.21;1.13;;;;;DOPC;MDCG;27;1;"MARTINI bead: C5_SNd";;;;;;;1.64;;-2.69;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM435906;MM435906;C=CC1(C(C)OCC)CN1;CJHVZZVZTRIQRG-UHFFFAOYSA-N;141.21;0.94;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_SP1";;;;;;;0.81;;-0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM435907;MM435907;C#CC1CC(C#CC)C1=O;ZYKIPGCMYCZKEU-UHFFFAOYSA-N;132.16;0.85;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNa_SC5";;;;;;;1.64;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM435908;MM435908;C=CC1CCC(NC=N)=N1;LOMBXDPSKHAVNK-UHFFFAOYSA-N;137.19;0.93;;;;;DOPC;MDCG;27;1;"MARTINI bead: SC5_SNd";;;;;;;1.64;;-1.59;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM435909;MM435909;CC=CC(C)=CCC1CO1;TXXRIQWAGYLCDR-UHFFFAOYSA-N;138.21;2.3;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1_SNa";;;;;;;2.91;;0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM435910;MM435910;CN=Cn1onc(O)c1=O;PXQGHWUHNVVAFS-UHFFFAOYSA-N;143.1;-0.95;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP2_SP1";;;;;;;-1.06;;-8.49;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM435911;MM435911;C=C(CC)C1CC1NCC;NHLNWDORQNLCPD-UHFFFAOYSA-N;139.24;1.95;;;;;DOPC;MDCG;27;1;"MARTINI bead: SNd_C1";;;;;;;2.91;;-0.53;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM435912;MM435912;CCC1CCC(CF)C1C;PCSVQBLGUAAFLC-UHFFFAOYSA-N;144.23;3.03;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC1_SC4";;;;;;;4.24;;0.42;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM435913;MM435913;CCOC(C)C1(C#N)CN1;XZFUTCAIIXGCLJ-UHFFFAOYSA-N;140.19;0.28;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_SP2";;;;;;;0.54;;-1.09;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM435914;MM435914;N#CC1CCC(NC=N)=N1;BKFXAFCMUZLRET-UHFFFAOYSA-N;136.16;0.27;;;;;DOPC;MDCG;27;1;"MARTINI bead: SNd_SN0";;;;;;;1.17;;-2.56;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM435915;MM435915;CC=CC(C)=CCN1CC1;GMADMZHIWZVVPF-UHFFFAOYSA-N;137.23;1.82;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1_SP1";;;;;;;2.08;;0.5;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM435916;MM435916;C#CC(C#CC#CC)=CC;IENDGYILPFBOIR-UHFFFAOYSA-N;128.17;1.59;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4_C4";;;;;;;3.53;;0.53;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM435917;MM435917;CC1C(CN)CCC1CO;SSASVQKRLPGULV-UHFFFAOYSA-N;143.23;0.6;;;;;DOPC;MDCG;27;1;"MARTINI bead: SC5_SC5";;;;;;;2.41;;-0.49;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM435918;MM435918;C=C(CN)C1CC1NCC;VQLBPABEMQRNJS-UHFFFAOYSA-N;140.23;0.5;;;;;DOPC;MDCG;27;1;"MARTINI bead: SNd_Nd";;;;;;;0.87;;-5;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM435919;MM435919;CC(C=NN)=CCN1CC1;FLGKRPNLRXKSHL-UHFFFAOYSA-N;139.2;0.19;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_SP1";;;;;;;0.81;;-0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM435921;MM435921;C=CC1CNC(=CC=O)N1;GDARUUHCIFCJNT-UHFFFAOYSA-N;138.17;-0.23;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP2_SP1";;;;;;;-1.06;;-3.82;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM435920;MM435920;C=CC1(C(C)CCC)CO1;WKMZRHGASRPBJY-UHFFFAOYSA-N;140.23;2.38;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1_SNa";;;;;;;2.91;;0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM435922;MM435922;C#CC(C#CC#CC)=CF;GQMMJOCRUYQVAF-UHFFFAOYSA-N;132.14;1.5;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4_C5";;;;;;;2.97;;0.45;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM435923;MM435923;CCNC1CC1C(=O)NC;PDXJHRIUHNRPKK-UHFFFAOYSA-N;142.2;-0.27;;;;;DOPC;MDCG;27;1;"MARTINI bead: SNd_P2";;;;;;;-0.24;;-5.11;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM435924;MM435924;CCC1CCC(NC)C1C;IFINBJSHKBXUKL-UHFFFAOYSA-N;141.26;2.03;;;;;DOPC;MDCG;27;1;"MARTINI bead: SC1_SNd";;;;;;;2.91;;-1.1;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM435925;MM435925;C=CC1(C(C)CCN)CO1;MDRZXIYFELIAFY-UHFFFAOYSA-N;141.21;0.93;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1_SNa";;;;;;;0.04;;-5.31;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM435926;MM435926;CC#CC(C)=CCC1CC1;UNNAMJOLEJZWGJ-UHFFFAOYSA-N;134.22;2.76;;;;;DOPC;MDCG;27;0;"MARTINI bead: C3_SC5";;;;;;;3.34;;0.48;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM435927;MM435927;C=CC1CNC(=CC#N)N1;UJGOATZWEXNGDO-UHFFFAOYSA-N;135.17;0.1;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP2_SP1";;;;;;;-1.06;;-3.82;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM435928;MM435928;C#CC(C#CC#CC)=NN;JEKDOGZIHJYOTO-UHFFFAOYSA-N;130.15;-0.04;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4_P1";;;;;;;1.37;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM435929;MM435929;CNC1CCC(OC)C1C;YJBQHNKFNWLNIP-UHFFFAOYSA-N;143.23;1.02;;;;;DOPC;MDCG;27;1;"MARTINI bead: SNd_SC5";;;;;;;1.64;;-3.04;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM435930;MM435930;C=C(CO)C1CC1OCC;RPWGQXGXXAHQSM-UHFFFAOYSA-N;142.2;0.96;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNa_Nda";;;;;;;0.87;;-1.99;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM435931;MM435931;C=CCC(C)C1(C=C)CC1;ZAKVTEMKBYGNGX-UHFFFAOYSA-N;136.24;3.16;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1_SC4";;;;;;;4.24;;0.42;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM435932;MM435932;CC#CC(C)=COC1CC1;HSLALEJDIOFHRU-UHFFFAOYSA-N;136.19;2.09;;;;;DOPC;MDCG;27;0;"MARTINI bead: C3_SP1";;;;;;;1.74;;0.29;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM435933;MM435933;C#CC(C#CC#CC)=NO;IVQBBFFZAIJWJI-UHFFFAOYSA-N;131.13;0.48;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4_P1";;;;;;;1.37;;-0.05;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM435934;MM435934;C=C(C)C(C)CC(C)(C)O;YRBGLMHASRQSSY-UHFFFAOYSA-N;142.24;2.36;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1_Nda";;;;;;;2.91;;0.57;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM435935;MM435935;CCOC1CC1C(=O)CC;ZDWSKPLHKQDABN-UHFFFAOYSA-N;142.2;1.39;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNa_Na";;;;;;;0.87;;-2.22;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM435936;MM435936;CCC1CNC(CN)C1C;BUKOVEMZCMHTFG-UHFFFAOYSA-N;142.25;0.58;;;;;DOPC;MDCG;27;1;"MARTINI bead: SC5_SP1";;;;;;;0.81;;-4.22;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM435937;MM435937;NN=C1CC(=CF)CO1;SQADYGLWFISUKJ-UHFFFAOYSA-N;130.12;0.53;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNda_SNa";;;;;;;0.87;;-1.99;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM435938;MM435938;C=CC1(C(C)CC=O)CC1;XWDIUMATJRNVIY-UHFFFAOYSA-N;138.21;2.18;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_SC4";;;;;;;2.97;;0.45;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM435939;MM435939;CCCCC=C(CC)CC;KNIRLWRQSSLZCZ-UHFFFAOYSA-N;140.27;3.92;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1_C1";;;;;;;4.95;;0.69;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM435940;MM435940;N#CC=C1NCC(C#N)N1;AVGJXNMCNAREHX-UHFFFAOYSA-N;134.14;-0.56;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP1_SP2";;;;;;;-1.06;;-3.82;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM435941;MM435941;C=C(OC)C1CC1OCC;HBCSDWYXUFPTQD-UHFFFAOYSA-N;142.2;1.57;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNa_C5";;;;;;;1.64;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM435942;MM435942;CCC1NCC(CN)C1C;MFNVYEBRODAWAN-UHFFFAOYSA-N;142.25;0.58;;;;;DOPC;MDCG;27;1;"MARTINI bead: SNd_SP1";;;;;;;0.04;;-6.58;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM435943;MM435943;C=CC1(C(C)CC#N)CC1;DZZVABSOQMQKGY-UHFFFAOYSA-N;135.21;2.5;;;;;DOPC;MDCG;27;0;"MARTINI bead: N0_SC4";;;;;;;2.5;;0.44;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM435944;MM435944;CC=C1CCC(=NN)O1;WCCGOEQXFITVAS-UHFFFAOYSA-N;126.16;0.97;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC5_SNda";;;;;;;1.64;;0.05;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM435945;MM435945;C=CC1COC(=CC#N)N1;ZBBDNMFEXLRRMX-UHFFFAOYSA-N;136.15;0.53;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP1_SNda";;;;;;;0.04;;-2.73;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM435946;MM435946;CCC(=CCCCN)CC;MIBCTAXLPCJTSH-UHFFFAOYSA-N;141.26;2.47;;;;;DOPC;MDCG;27;1;"MARTINI bead: C1_Nd";;;;;;;2.91;;-0.55;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM435947;MM435947;C=C(CC)C1NC1CCN;QWCUYFSKQQZVGQ-UHFFFAOYSA-N;140.23;0.64;;;;;DOPC;MDCG;27;1;"MARTINI bead: C3_SP2";;;;;;;1.46;;-2.47;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM435948;MM435948;CCC1CNC(CN)C1N;OEKZANMOOVBHBM-UHFFFAOYSA-N;143.23;-0.73;;;;;DOPC;MDCG;27;1;"MARTINI bead: SP1_SP1";;;;;;;-0.79;;-6.29;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM435949;MM435949;C=CCC(C)C1(C#N)CC1;WJKWADHZXMZPEL-UHFFFAOYSA-N;135.21;2.5;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4_SC5";;;;;;;2.97;;0.45;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM435950;MM435950;CCC(=CCCCF)CC;UAKXRBMTSANNFH-UHFFFAOYSA-N;144.23;3.48;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1_C4";;;;;;;4.24;;0.42;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM435951;MM435951;C=CC(CC)CC(C)(C)O;DMTNLTWCONAENX-UHFFFAOYSA-N;142.24;2.36;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1_Nda";;;;;;;2.91;;0.57;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM435952;MM435952;Cn1c(=N)on(N)c1=NO;YWZKDOVKBPLKJQ-UHFFFAOYSA-N;145.12;-2.1;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP3_SP3";;;;;;;-3.07;;-6.15;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM435953;MM435953;C=C(CO)C1NC1CCN;AZNMLEKAPCTMDN-UHFFFAOYSA-N;142.2;-0.78;;;;;DOPC;MDCG;27;1;"MARTINI bead: SP2_Nda";;;;;;;-0.24;;-5.75;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM435954;MM435954;CC(CC=O)C1(C#N)CC1;WSXWXYKUFCRFOM-UHFFFAOYSA-N;137.18;1.52;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_SC5";;;;;;;1.64;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM435955;MM435955;CCC1NCC(NC)C1C;AFZUGJWHTOCQMQ-UHFFFAOYSA-N;142.25;0.59;;;;;DOPC;MDCG;27;1;"MARTINI bead: SNd_SP1";;;;;;;0.04;;-5.97;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM435956;MM435956;CCCCC=C(CC)CN;AVBWWSDBQPWHMS-UHFFFAOYSA-N;141.26;2.47;;;;;DOPC;MDCG;27;1;"MARTINI bead: C1_Nd";;;;;;;2.91;;-0.08;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM435957;MM435957;N#CC=C1NC(C#N)CO1;MSDUNPAEUFJZTF-UHFFFAOYSA-N;135.13;-0.14;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNda_SP2";;;;;;;-0.24;;-3.31;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM435958;MM435958;CN=c1n(N)oc(=O)n1C;YWXANZSIFPNVBS-UHFFFAOYSA-N;144.13;-1.98;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP2_SP2";;;;;;;-1.34;;-4.31;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM435959;MM435959;C=C(CF)C1NC1CCN;KATMWLUPMFQNST-UHFFFAOYSA-N;144.19;0.2;;;;;DOPC;MDCG;27;1;"MARTINI bead: SP2_Na";;;;;;;-0.24;;-5.68;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM435960;MM435960;C=CCC(N)C1(C=C)CC1;WUPOGEUCRBCIDE-UHFFFAOYSA-N;137.23;1.86;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_SC4";;;;;;;2.2;;-2.11;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM435961;MM435961;CCC1NCC(NC)C1N;RVIVZEWWDJRCSG-UHFFFAOYSA-N;143.23;-0.72;;;;;DOPC;MDCG;27;1;"MARTINI bead: SNd_SP3";;;;;;;-1.1;;-6.29;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM435962;MM435962;CCC(=CCCCN)CN;FYSDKSRHJCHQGR-UHFFFAOYSA-N;142.25;1.02;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_Nd";;;;;;;0.87;;-5.02;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM435963;MM435963;C=CC=C1CCC(C=C)O1;MPBIDQNZPJCAIP-UHFFFAOYSA-N;136.19;2.42;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC5_SN0";;;;;;;1.94;;0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM435964;MM435964;NN=C1CCC(=CF)O1;LMDLQHZCMPFGIX-UHFFFAOYSA-N;130.12;0.88;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNd_SNa";;;;;;;0.87;;-1.88;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM435965;MM435965;C=CC1=CCC(O)(CC)C1;UFZYUFHIOCBPLQ-UHFFFAOYSA-N;138.21;2.03;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC5_SC3";;;;;;;3.34;;0.48;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM435966;MM435966;C=CC1(C(C)NC=N)CC1;MYEKGISQSBVQDW-UHFFFAOYSA-N;138.21;1.54;;;;;DOPC;MDCG;27;1;"MARTINI bead: P2_SC4";;;;;;;1.09;;-4.36;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM435967;MM435967;CCC1OCC(NC)C1C;PXAUXUZRVPMUPF-UHFFFAOYSA-N;143.23;1.02;;;;;DOPC;MDCG;27;1;"MARTINI bead: SC5_SNd";;;;;;;1.64;;-2.35;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM435968;MM435968;CC1(C)CC2CC2(O)C1;WHFLDZLYSFRQTB-UHFFFAOYSA-N;126.2;1.56;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC2_SNda";;;;;;;2.83;;0.57;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM435969;MM435969;C=CC1CCC(=CC=O)O1;LDEVOPZAJIENGE-UHFFFAOYSA-N;138.17;1.43;;;;;DOPC;MDCG;27;0;"MARTINI bead: SN0_SNa";;;;;;;1.17;;-1.18;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM435970;MM435970;CCC1=COC(=NN)C1;QZQPGNUIXARQCV-UHFFFAOYSA-N;126.16;0.97;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC5_SNda";;;;;;;1.64;;0.05;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM435971;MM435971;C=C(CN)C1NC1CNC;OGHGHKAMAHHQCP-UHFFFAOYSA-N;141.22;-0.94;;;;;DOPC;MDCG;27;1;"MARTINI bead: SP2_P1";;;;;;;-1.06;;-6.16;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM435972;MM435972;CCC12CN(C)C(=O)C1N2;QXEPAAVEZUZEKZ-UHFFFAOYSA-N;140.19;-0.42;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP1_SP1";;;;;;;-0.79;;-3.13;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM435973;MM435973;CCC1OCC(NC)C1N;QJZQMHWDUXUIMT-UHFFFAOYSA-N;144.22;-0.29;;;;;DOPC;MDCG;27;1;"MARTINI bead: SC5_SP2";;;;;;;0.54;;-3.1;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM435974;MM435974;CCC(=CCCCN)CO;HNYWZHSJWZYBPK-UHFFFAOYSA-N;143.23;1.05;;;;;DOPC;MDCG;27;1;"MARTINI bead: C5_Nd";;;;;;;1.64;;-2.69;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM435975;MM435975;CCC1=CCC(=NN)O1;VITYSNHWXBUBNX-UHFFFAOYSA-N;126.16;0.97;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC5_SNda";;;;;;;1.64;;0.05;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM435976;MM435976;C=CC1CCC(=CC#N)O1;DTKPUFRQCIZWJE-UHFFFAOYSA-N;135.17;1.76;;;;;DOPC;MDCG;27;0;"MARTINI bead: SN0_SNa";;;;;;;1.17;;-1.18;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM435977;MM435977;CC(NC=N)C1(C#N)CC1;PGLSQLPFRKZNNO-UHFFFAOYSA-N;137.19;0.88;;;;;DOPC;MDCG;27;1;"MARTINI bead: P2_SN0";;;;;;;0.06;;-6.01;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM435978;MM435978;C=C(CO)C1NC1CNC;GPXVOUDRXJXISF-UHFFFAOYSA-N;142.2;-0.91;;;;;DOPC;MDCG;27;1;"MARTINI bead: SP2_Nda";;;;;;;-0.24;;-5.45;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM435979;MM435979;CCC1CCN(CC)C1C;NUXHELOCVPJWMU-UHFFFAOYSA-N;141.26;2.13;;;;;DOPC;MDCG;27;1;"MARTINI bead: SN0_SC5";;;;;;;1.94;;-2.09;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM435980;MM435980;C#CC1CC(C)(O)C1C;DTQBPOVSDVKYJS-UHFFFAOYSA-N;124.18;1.03;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC4_SNda";;;;;;;2.2;;0.49;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM435981;MM435981;C=CC=C1CCC(C=O)O1;LVGHOWNNFZQVBR-UHFFFAOYSA-N;138.17;1.43;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC5_SP1";;;;;;;0.81;;-0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM435982;MM435982;Cn1c(=N)on(O)c1=NO;WJGMDHWXBDHSCX-UHFFFAOYSA-N;146.11;-1.57;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP3_SP2";;;;;;;-2.2;;-5.19;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM435983;MM435983;C=CC(CF)C1NC1C=O;AGNCVLXCRIAGDB-UHFFFAOYSA-N;143.16;0.3;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_SP2";;;;;;;0.54;;-1.09;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM435984;MM435984;C#CC1(C)CN=C(C=O)N1;MBAQVFCGUZUNJH-UHFFFAOYSA-N;136.15;-0.42;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP1_SP2";;;;;;;-1.06;;-3.82;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM435985;MM435985;CCN1CCC(CN)C1C;XOMWEZQLJGDBGX-UHFFFAOYSA-N;142.25;0.68;;;;;DOPC;MDCG;27;1;"MARTINI bead: SC5_SP2";;;;;;;0.54;;-4.12;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM435986;MM435986;CCCCC=C(CC)CF;SKJKWXRSDFKFTO-UHFFFAOYSA-N;144.23;3.48;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1_C3";;;;;;;4.61;;0.31;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM435987;MM435987;C=CC=C1CCC(C#N)O1;VGHUPQMHGXNXAE-UHFFFAOYSA-N;135.17;1.76;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC5_SP1";;;;;;;0.81;;-0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM435988;MM435988;CN=c1n(O)oc(=O)n1C;IKNZJTXLNDLYFE-UHFFFAOYSA-N;145.12;-1.45;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP2_SP2";;;;;;;-1.34;;-4.31;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM435989;MM435989;CCCC1NC1C(=O)NO;OVCMFLPJTYZFIM-UHFFFAOYSA-N;144.17;-0.37;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNd_P4";;;;;;;-1.19;;-4.91;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM435990;MM435990;CC(NC=O)C1(C#N)CC1;LQMFYFMZBPLLQE-UHFFFAOYSA-N;138.17;0.42;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_SN0";;;;;;;0.34;;-1.53;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM435991;MM435991;C#CC1CC(O)(CC)C1;WDCVPRMDKDJLQL-UHFFFAOYSA-N;124.18;1.17;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNda_SC5";;;;;;;1.64;;0.05;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM435992;MM435992;CCN1CCC(NC)C1C;OZBZSNIELZYHSK-UHFFFAOYSA-N;142.25;0.69;;;;;DOPC;MDCG;27;1;"MARTINI bead: SC5_SP1";;;;;;;0.81;;-3.26;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM435993;MM435993;N#CC=C1CCC(C=O)O1;FULWKNNVGOYHIA-UHFFFAOYSA-N;137.14;0.77;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP1_SNa";;;;;;;0.04;;-2.54;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM435994;MM435994;Cn1c(=O)on(O)c1=NN;SRHBKQQCXSWSSD-UHFFFAOYSA-N;146.11;-2.21;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP2_SP3";;;;;;;-2.2;;-5.19;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM435995;MM435995;C=C(OC)C1NC1CCN;OHCOVZURXZCSDP-UHFFFAOYSA-N;142.2;-0.16;;;;;DOPC;MDCG;27;1;"MARTINI bead: Na_SP2";;;;;;;-0.24;;-5.68;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM435996;MM435996;C=CC1(C(C)NN=C)CC1;DJYXYHLALBZCME-UHFFFAOYSA-N;138.21;1.55;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nd_SC4";;;;;;;2.2;;0.32;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM435997;MM435997;CCCCC=C(CN)CN;STLMKPUHYMKUNN-UHFFFAOYSA-N;142.25;1.02;;;;;DOPC;MDCG;27;1;"MARTINI bead: C1_P5";;;;;;;0.93;;-3.34;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM435998;MM435998;CCC1CCC(C#N)C1C;RUFNCXPUYBMAJK-UHFFFAOYSA-N;137.23;2.58;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC1_SC5";;;;;;;3.68;;0.46;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM435999;MM435999;C=CC1=COC(=NN)C1;YTJJDKJZKFLYQZ-UHFFFAOYSA-N;124.14;0.75;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNda_SC5";;;;;;;1.64;;0.05;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM436000;MM436000;N#CC=C1CCC(C#N)O1;ATQHJFYFGOWQBT-UHFFFAOYSA-N;134.14;1.1;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNa_SP1";;;;;;;0.04;;-2.54;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM436001;MM436001;C=C(OC)C1NC1CNC;OKDCOPZULSEBFK-UHFFFAOYSA-N;142.2;-0.29;;;;;DOPC;MDCG;27;1;"MARTINI bead: SP2_Na";;;;;;;-0.24;;-5.37;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM436002;MM436002;CC=CC1CC1C(O)CC;BHDJQMDEZKYSBH-UHFFFAOYSA-N;140.23;1.97;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda_SC3";;;;;;;2.57;;0.44;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM436003;MM436003;NCCCC=C(CN)CN;PADAENGJHDLYQO-UHFFFAOYSA-N;143.23;-0.43;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_P5";;;;;;;-1.11;;-8.05;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM436004;MM436004;C=CC1CCC(CN)C1C;QICJFMIGQQFHPZ-UHFFFAOYSA-N;139.24;1.79;;;;;DOPC;MDCG;27;1;"MARTINI bead: SC5_SC2";;;;;;;3.6;;0.55;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM436005;MM436005;Cn1oc(=N)n(N)c1=NO;QUGKWDRXRRDICJ-UHFFFAOYSA-N;145.12;-2.1;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP2_SP3";;;;;;;-2.2;;-5.19;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM436006;MM436006;C=CC=C1COC(C=C)O1;RWBVTLRECKNWNS-UHFFFAOYSA-N;138.17;1.62;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNa_SNa";;;;;;;0.87;;-2.22;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM436007;MM436007;C=C(CC)C1OC1CCC;BIHPMAAYFRAXPX-UHFFFAOYSA-N;140.23;2.52;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNa_C3";;;;;;;2.57;;0.45;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM436008;MM436008;C=COC(C)C1(C=C)CC1;UVADYVMTDAUGPC-UHFFFAOYSA-N;138.21;2.5;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_SC4";;;;;;;2.97;;0.45;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM436009;MM436009;CCCCC=C(CN)CO;JZEGISYMLBSYDJ-UHFFFAOYSA-N;143.23;1.05;;;;;DOPC;MDCG;27;1;"MARTINI bead: C1_P4";;;;;;;0.85;;-2.4;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM436010;MM436010;CCC1C=CC(=NN)C1;JGLXJRGMATWVSW-UHFFFAOYSA-N;124.19;1.29;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC2_SNd";;;;;;;2.83;;0.62;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM436011;MM436011;C=C(CN)C1OC1CCC;GDRBMDOASYBYJV-UHFFFAOYSA-N;141.21;1.07;;;;;DOPC;MDCG;27;1;"MARTINI bead: SNa_P1";;;;;;;0.04;;-4.71;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM436012;MM436012;CN=c1n(C)oc(=O)n1N;BJEXHXMBCAGARM-UHFFFAOYSA-N;144.13;-1.98;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP1_SP3";;;;;;;-1.93;;-4.72;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM436013;MM436013;C=CC1OCC(=CC#N)O1;OZFZIRYWGGWTRT-UHFFFAOYSA-N;137.14;0.95;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNa_SP1";;;;;;;0.04;;-2.54;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM436014;MM436014;C=CC1(C(C)OC=O)CC1;DWAABZQOCIVTHF-UHFFFAOYSA-N;140.18;1.51;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_SC4";;;;;;;2.2;;0.34;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM436015;MM436015;C=CC1CCC(CN)C1N;OAMLOOPYSKATDE-UHFFFAOYSA-N;140.23;0.48;;;;;DOPC;MDCG;27;1;"MARTINI bead: SC5_SNd";;;;;;;1.64;;-2.82;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM436016;MM436016;CCCCC=C(CN)CF;AOFOWENJKNKNJM-UHFFFAOYSA-N;145.22;2.03;;;;;DOPC;MDCG;27;1;"MARTINI bead: C1_P1";;;;;;;2.08;;-0.57;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM436017;MM436017;C=C(CO)C1OC1CCC;WICMDSSPQBLWBP-UHFFFAOYSA-N;142.2;1.1;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNa_Nda";;;;;;;0.87;;-1.99;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM436018;MM436018;C=CC1=CCC(=NN)O1;OCMGEXUCTNJUHE-UHFFFAOYSA-N;124.14;0.75;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNda_SN0";;;;;;;1.17;;-1.13;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM436019;MM436019;C=CC=C1COC(C=O)O1;FKGFOQVWLABUTG-UHFFFAOYSA-N;140.14;0.63;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNa_SP2";;;;;;;-0.24;;-3.24;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM436020;MM436020;CNC1CCC(C#N)C1C;KSUHZRULYPMSEE-UHFFFAOYSA-N;138.21;1.14;;;;;DOPC;MDCG;27;1;"MARTINI bead: SNd_SC5";;;;;;;1.64;;-2.3;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM436021;MM436021;C=COC(C)C1(C#N)CC1;HUOIIJXXALEKDB-UHFFFAOYSA-N;137.18;1.84;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_SN0";;;;;;;1.94;;0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM436022;MM436022;NCC(=CCCCO)CF;ZXLRVOODCVGCAQ-UHFFFAOYSA-N;147.19;0.61;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1_Nda";;;;;;;0.04;;-4.89;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM436023;MM436023;C=C(CO)C1OC1CCN;LEOZWBFXGJDBES-UHFFFAOYSA-N;143.19;-0.35;;;;;DOPC;MDCG;27;1;"MARTINI bead: SP1_Nda";;;;;;;0.04;;-5.43;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM436024;MM436024;C=C1CCC(=NN)OC1;GHBXRRCRWPHWJG-UHFFFAOYSA-N;126.16;0.63;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNda_SN0";;;;;;;1.17;;-1.13;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM436025;MM436025;C=CC=C1COC(C#N)O1;BMCOJBMEUJQVQX-UHFFFAOYSA-N;137.14;0.95;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNa_SP1";;;;;;;0.04;;-2.54;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM436026;MM436026;C=CC1CCC(NC)C1N;YAKXRJMWPKQUPI-UHFFFAOYSA-N;140.23;0.5;;;;;DOPC;MDCG;27;1;"MARTINI bead: SNd_SNd";;;;;;;0.87;;-5.04;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM436027;MM436027;C=CC1(C(C)ON=C)CC1;MASBCGYVRCSBRA-UHFFFAOYSA-N;139.2;1.97;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_SC4";;;;;;;2.2;;0.34;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM436028;MM436028;CCCCC=C(CO)CO;BCGDCCVBNHQKKY-UHFFFAOYSA-N;144.21;1.09;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1_P2";;;;;;;1.8;;0.4;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM436029;MM436029;C=C(CF)C1OC1CCN;JTZYVXWZLZNHCQ-UHFFFAOYSA-N;145.18;0.63;;;;;DOPC;MDCG;27;1;"MARTINI bead: SP1_Na";;;;;;;0.04;;-5.25;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM436030;MM436030;N=c1on(N)c(=NO)n1N;OFZBJWDPRKHWNT-UHFFFAOYSA-N;146.11;-2.92;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP3_SP3";;;;;;;-3.07;;-6.15;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM436031;MM436031;C=CC1CCC(OC)C1C;ILRVCUVBIDQLOX-UHFFFAOYSA-N;140.23;2.23;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC5_SC2";;;;;;;3.6;;0.34;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM436032;MM436032;N#CC=C1COC(C=O)O1;LKRUZRPZARJCSI-UHFFFAOYSA-N;139.11;-0.03;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP2_SP1";;;;;;;-1.06;;-3.82;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM436033;MM436033;C=NOC(C)C1(C=O)CC1;PDMCHFOTLGWEOH-UHFFFAOYSA-N;141.17;0.99;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_SNa";;;;;;;0.87;;-2.22;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM436034;MM436034;OCC(=CCCCF)CO;SICAUZMLULERBY-UHFFFAOYSA-N;148.18;0.65;;;;;DOPC;MDCG;27;0;"MARTINI bead: P3_C4";;;;;;;0.23;;-1.03;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM436035;MM436035;CCCC1OC1C(=O)CF;OORGBBCXWPWCRM-UHFFFAOYSA-N;146.16;1.09;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNa_P2";;;;;;;-0.24;;-3.24;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM436036;MM436036;CN=c1n(N)oc(=O)n1N;VKRCRNLMRNNNAD-UHFFFAOYSA-N;145.12;-2.8;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP2_SP3";;;;;;;-2.2;;-5.19;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM436037;MM436037;C=CC1NCC(CC)C1C;LJCLJECIRNHPSX-UHFFFAOYSA-N;139.24;1.81;;;;;DOPC;MDCG;27;1;"MARTINI bead: SC5_SNd";;;;;;;1.64;;-3.43;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM436038;MM436038;N#CC=C1COC(C#N)O1;YHFIDCQKRILGDV-UHFFFAOYSA-N;136.11;0.29;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP1_SP1";;;;;;;-0.79;;-3.13;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM436039;MM436039;C=NOC(C)C1(C#N)CC1;NTLBIWJMLOQJSX-UHFFFAOYSA-N;138.17;1.31;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_SN0";;;;;;;1.17;;-1.18;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM436040;MM436040;CCCCC=C(CO)CF;RZPMCZDABUKKIY-UHFFFAOYSA-N;146.21;2.06;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1_Nda";;;;;;;2.91;;0.57;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM436041;MM436041;C=C(CN)C1OC1CNC;PBKLLTWXVMSQBQ-UHFFFAOYSA-N;142.2;-0.51;;;;;DOPC;MDCG;27;1;"MARTINI bead: SP2_P1";;;;;;;-1.06;;-6.31;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM436042;MM436042;CC1=COC(=NN)CC1;OWADEDNPNMOTDZ-UHFFFAOYSA-N;126.16;0.97;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC5_SNda";;;;;;;1.64;;0.05;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM436043;MM436043;C=CC1CNC(=CC#N)O1;CLWWIDFCFOUZAF-UHFFFAOYSA-N;136.15;0.53;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP1_SNda";;;;;;;0.04;;-2.73;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM436044;MM436044;CNC1CNC(C#N)C1C;HGDYUOVBMPQLPD-UHFFFAOYSA-N;139.2;-0.29;;;;;DOPC;MDCG;27;1;"MARTINI bead: SP1_SP1";;;;;;;-0.79;;-4.49;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM436045;MM436045;C=CC1(N(C)CC#N)CC1;IUNBHUAGXPFGQE-UHFFFAOYSA-N;136.2;1.16;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_SC4";;;;;;;1.09;;-0.37;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM436046;MM436046;NCCCC=C(CO)CF;ANJUWNJVOYAYRC-UHFFFAOYSA-N;147.19;0.61;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1_Nda";;;;;;;0.04;;-5.5;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM436047;MM436047;CCC(=O)C1OC1CNC;BGFHLURHBLYSQT-UHFFFAOYSA-N;143.19;-0.05;;;;;DOPC;MDCG;27;1;"MARTINI bead: Na_SP2";;;;;;;-0.24;;-5.17;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM436048;MM436048;COC1CNC(C#N)C1C;XPVMTZWBLVVLSA-UHFFFAOYSA-N;140.19;0.13;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNa_SP1";;;;;;;0.04;;-2.54;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM436049;MM436049;CC(F)(F)C=NOC=NN;BJVKXCOZPWMNFV-UHFFFAOYSA-N;151.12;0.55;;;;;DOPC;MDCG;27;0;"MARTINI bead: N0_P1";;;;;;;0.34;;-1.53;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM436050;MM436050;NN=C1CCC(F)=CO1;OPFQFMVVAVEDOV-UHFFFAOYSA-N;130.12;0.88;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNda_SNa";;;;;;;0.87;;-1.99;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM436051;MM436051;C=CCN(C)C1(C#N)CC1;BGYQJRMUQNWTIC-UHFFFAOYSA-N;136.2;1.16;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4_SP1";;;;;;;1.37;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM436052;MM436052;CCC(=CCCNC)CC;ZICSYFJVELKXCT-UHFFFAOYSA-N;141.26;2.34;;;;;DOPC;MDCG;27;1;"MARTINI bead: C1_Nd";;;;;;;2.91;;-0.8;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM436053;MM436053;CNC(=N)C1OC1CCN;ARYKFAKZJCNMDZ-UHFFFAOYSA-N;143.19;-0.7;;;;;DOPC;MDCG;27;1;"MARTINI bead: P3_SP1";;;;;;;-1.93;;-8.05;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM436054;MM436054;C=CC1OCC(CC)C1C;FJNQNWVUPYTVSK-UHFFFAOYSA-N;140.23;2.23;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC5_SNa";;;;;;;1.64;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM436055;MM436055;N#CC=C1NCC(C#N)O1;SFEAVNFRPASYTF-UHFFFAOYSA-N;135.13;-0.14;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNda_SP2";;;;;;;-0.24;;-3.31;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM436056;MM436056;COC(CC1CC1)=NN;HHABMGYCNRMPGO-UHFFFAOYSA-N;128.18;0.71;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda_SC5";;;;;;;1.64;;0.05;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM436057;MM436057;CC=CCCC(O)C1CC1;ZXHQQQNMKXJCOV-UHFFFAOYSA-N;140.23;2.11;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1_SNda";;;;;;;2.91;;0.57;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM436058;MM436058;CCC(=CCCNC)CN;QIDCYYWCEBHIKA-UHFFFAOYSA-N;142.25;0.89;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_Nd";;;;;;;0.87;;-5.23;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM436059;MM436059;C=CC1OCC(CO)C1C;ZHEHUEAVDTXWSU-UHFFFAOYSA-N;142.2;0.82;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNda_SNa";;;;;;;0.87;;-1.99;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM436060;MM436060;CCC(=NN)OC1CC1;BSXSPMQXJXJCDD-UHFFFAOYSA-N;128.18;0.85;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_SC5";;;;;;;0.81;;-0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM436061;MM436061;N=C(NO)C1OC1CCN;VYXMVTSREWHPTN-UHFFFAOYSA-N;145.16;-0.94;;;;;DOPC;MDCG;27;1;"MARTINI bead: SP1_P4";;;;;;;-2.01;;-7.46;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM436062;MM436062;C=CC=C1CCN(C=N)C1;QGYTUDPTWZUCJS-UHFFFAOYSA-N;136.2;1.41;;;;;DOPC;MDCG;27;1;"MARTINI bead: SN0_SP1";;;;;;;0.34;;-5.17;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM436063;MM436063;CN(NC=N)C1(C#N)CC1;DEWGPIWGWNXWIX-UHFFFAOYSA-N;138.17;0.09;;;;;DOPC;MDCG;27;1;"MARTINI bead: P4_SN0";;;;;;;-0.88;;-6.37;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM436064;MM436064;CNCCC=C(CN)CN;PFBOQKLNIXTSJJ-UHFFFAOYSA-N;143.23;-0.56;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_P5";;;;;;;-1.11;;-8.15;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM436065;MM436065;CCCC1OC1C(=O)NC;HBUNCWJOEVWFEN-UHFFFAOYSA-N;143.19;0.3;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNa_P3";;;;;;;-1.1;;-4.2;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM436066;MM436066;C=CC1OCC(NC)C1C;GJNLEXYIJJSQMU-UHFFFAOYSA-N;141.21;0.8;;;;;DOPC;MDCG;27;1;"MARTINI bead: SNd_SNa";;;;;;;0.87;;-4.37;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM436067;MM436067;N=CN1CCC(=CC=O)C1;RGDPOFCJDOIXCB-UHFFFAOYSA-N;138.17;0.42;;;;;DOPC;MDCG;27;1;"MARTINI bead: SP1_SP1";;;;;;;-0.79;;-6.77;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM436068;MM436068;NN=c1n(O)oc(=O)n1N;WGKKAUAHJPGETD-UHFFFAOYSA-N;147.09;-3.03;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP3_SP3";;;;;;;-3.07;;-6.15;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM436069;MM436069;CN(NC=O)C1(C=O)CC1;PPVGRIABSYDTKP-UHFFFAOYSA-N;142.16;-0.69;;;;;DOPC;MDCG;27;0;"MARTINI bead: P4_SNa";;;;;;;-1.19;;-4.76;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM436070;MM436070;CNCCC=C(CN)CO;AGDCBVQVDOEMMV-UHFFFAOYSA-N;144.22;-0.53;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_P4";;;;;;;-1.19;;-7.71;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM436071;MM436071;C=C(OC)C1OC1CCC;SJNCWAFVPYVKOV-UHFFFAOYSA-N;142.2;1.71;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNa_Na";;;;;;;0.87;;-2.22;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM436072;MM436072;COC(CC1CO1)=NN;TZQQWGCLABMZHL-UHFFFAOYSA-N;130.15;-0.31;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda_SP1";;;;;;;0.04;;-2.73;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM436073;MM436073;N#CC=C1CCN(C=N)C1;FPKSICRNJUIUOA-UHFFFAOYSA-N;135.17;0.75;;;;;DOPC;MDCG;27;1;"MARTINI bead: SP1_SP1";;;;;;;-0.79;;-6.76;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM436074;MM436074;CNC1COC(C#N)C1C;ITDLKGWCDXUCLS-UHFFFAOYSA-N;140.19;0.13;;;;;DOPC;MDCG;27;1;"MARTINI bead: SNd_SNa";;;;;;;0.87;;-3.34;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM436075;MM436075;CN(NC=O)C1(C#N)CC1;JTHZVTAMPNTBPB-UHFFFAOYSA-N;139.16;-0.36;;;;;DOPC;MDCG;27;0;"MARTINI bead: P4_SN0";;;;;;;-0.88;;-3.74;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM436076;MM436076;CNCCC=C(CO)CO;GCAHMWSEWJESHY-UHFFFAOYSA-N;145.2;-0.49;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_P2";;;;;;;-0.24;;-6.19;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM436077;MM436077;C=CC(=NN)OC1CC1;HLGDECAZNKLTKB-UHFFFAOYSA-N;126.16;0.62;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda_SC5";;;;;;;1.64;;0.05;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM436078;MM436078;CCC1NCC(C=O)C1C;BMMYYVNBRXJJBM-UHFFFAOYSA-N;141.21;0.82;;;;;DOPC;MDCG;27;1;"MARTINI bead: SNd_SP1";;;;;;;0.04;;-6.22;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM436079;MM436079;C=C(OC)C1OC1CCN;COWUJTIXUXPJBR-UHFFFAOYSA-N;143.19;0.26;;;;;DOPC;MDCG;27;1;"MARTINI bead: Na_SP1";;;;;;;0.04;;-5.25;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM436080;MM436080;C=CC=C1CCN(C=O)C1;KZSLMWMXEJHHDN-UHFFFAOYSA-N;137.18;0.96;;;;;DOPC;MDCG;27;0;"MARTINI bead: SN0_SP1";;;;;;;0.34;;-1.53;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM436081;MM436081;C=CCC(C)C1(C=O)CN1;QBKWLGSLXNSLLC-UHFFFAOYSA-N;139.2;0.74;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1_SP2";;;;;;;1.8;;0.42;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM436082;MM436082;CCC(=CCCOC)CC;ZOWLEGPVFMIUQO-UHFFFAOYSA-N;142.24;2.77;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1_Na";;;;;;;2.91;;0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM436083;MM436083;N=CNN=c1onc(O)o1;MZMCXRDYHQVTKP-UHFFFAOYSA-N;144.09;-1.01;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP3_P3";;;;;;;-3.07;;-10.25;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM436084;MM436084;O=CC=C1CCN(C=O)C1;KCWNRCDGGISBJQ-UHFFFAOYSA-N;139.15;-0.03;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP1_SP1";;;;;;;-0.79;;-3.13;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM436085;MM436085;CCC1NCC(C#N)C1C;XREQIGIOELOGLO-UHFFFAOYSA-N;138.21;1.14;;;;;DOPC;MDCG;27;1;"MARTINI bead: SNd_SP1";;;;;;;0.04;;-4.4;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM436086;MM436086;C=C(CN)C1CN1CCO;UZOUMYGFXJFLON-UHFFFAOYSA-N;142.2;-0.82;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1_SP1";;;;;;;-0.79;;-5.04;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM436087;MM436087;COC(C#CC1CN1)C=O;KKPGBCYMTIESLD-UHFFFAOYSA-N;139.15;-0.82;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_SP1";;;;;;;0.04;;-2.54;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM436088;MM436088;CCC(=CCCOC)CN;FDZWAXCCBJSTMX-UHFFFAOYSA-N;143.23;1.32;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_Na";;;;;;;0.87;;-4.13;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM436089;MM436089;N#CC=C1CCN(C=O)C1;SPLQJPCRNBXXQX-UHFFFAOYSA-N;136.15;0.3;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP1_SP1";;;;;;;-0.79;;-3.13;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM436090;MM436090;O=C(O)n1nnncc1=O;NXKHWDXABLXKHT-UHFFFAOYSA-N;142.07;-1.44;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP4_SP2";;;;;;;-2.29;;-9.63;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM436091;MM436091;N#CC1(C=O)COC(=N)N1;RQSJQEDPKYAFFN-UHFFFAOYSA-N;139.11;-1;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP2_SP2";;;;;;;-1.34;;-4.31;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM436092;MM436092;CCC1OCC(C#N)C1C;UWZBPBDIMSPJGQ-UHFFFAOYSA-N;139.2;1.57;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC5_SN0";;;;;;;1.94;;0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM436093;MM436093;C=CC1(C(C)NC=N)CN1;HRFJWJKELOFXPZ-UHFFFAOYSA-N;139.2;0.1;;;;;DOPC;MDCG;27;1;"MARTINI bead: P2_SP1";;;;;;;-1.06;;-7.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM436094;MM436094;C=CC1(O)CC=C(C)C1;FYBYFQIQPPFESM-UHFFFAOYSA-N;124.18;1.64;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC4_SNda";;;;;;;2.2;;0.49;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM436095;MM436095;NC(=O)n1onc(O)c1=O;LZXPSQNRXIKHLF-UHFFFAOYSA-N;145.07;-1.53;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP3_SP1";;;;;;;-1.93;;-9.04;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM436096;MM436096;C=CNC=NOC(=O)CF;YFKATZRWQMUQQW-UHFFFAOYSA-N;146.12;0.18;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_Nd";;;;;;;0.04;;-2.63;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM436097;MM436097;C=CC=C1CCN(N=C)C1;WLDIYUIYPDVOKU-UHFFFAOYSA-N;136.2;1.42;;;;;DOPC;MDCG;27;0;"MARTINI bead: SN0_SP1";;;;;;;0.34;;-1.53;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM436098;MM436098;CCC1CCN(C=O)C1C;AIXYCXJLVXINGH-UHFFFAOYSA-N;141.21;1.26;;;;;DOPC;MDCG;27;0;"MARTINI bead: SN0_SNda";;;;;;;1.17;;-1.13;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM436099;MM436099;CN=CN=C(N)C=O;QKFJCFBQMWZXRT-UHFFFAOYSA-N;113.12;-0.8;;;;;DOPC;MDCG;27;0;"MARTINI bead: N0_P3";;;;;;;-0.8;;-2.99;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM436100;MM436100;CCC(=CCCOC)CF;YIQVXOLMUPPBAU-UHFFFAOYSA-N;146.21;2.33;;;;;DOPC;MDCG;27;0;"MARTINI bead: C3_Na";;;;;;;2.57;;0.45;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM436101;MM436101;CC1C2CC(=NN)OC12;QGFIPKZSQHEPJT-UHFFFAOYSA-N;126.16;0.31;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNda_SC5";;;;;;;1.64;;0.05;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM436102;MM436102;C=NN1CCC(=CC=O)C1;DCJNDLCPSFSQDY-UHFFFAOYSA-N;138.17;0.43;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP1_SP1";;;;;;;-0.79;;-3.13;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM436103;MM436103;CC1C(CN)CCN1C=N;QFKSHZCCFFKLRB-UHFFFAOYSA-N;141.22;0.26;;;;;DOPC;MDCG;27;1;"MARTINI bead: SP2_SNd";;;;;;;-0.24;;-7.04;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM436104;MM436104;CCCN1CC1C(=N)NC;BKMJLAPDMKNGBR-UHFFFAOYSA-N;141.22;0.28;;;;;DOPC;MDCG;27;1;"MARTINI bead: SNd_P3";;;;;;;-1.1;;-7.51;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM436105;MM436105;CC(NC=N)C1(C#N)CN1;PFMFOCPLKFJMFT-UHFFFAOYSA-N;138.17;-0.56;;;;;DOPC;MDCG;27;1;"MARTINI bead: P2_SP2";;;;;;;-1.34;;-7.82;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM436106;MM436106;COCCC=C(CN)CN;HBKLKJURJJWDOY-UHFFFAOYSA-N;144.22;-0.13;;;;;DOPC;MDCG;27;1;"MARTINI bead: Na_P5";;;;;;;-1.11;;-7.51;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM436107;MM436107;CCCN1CC1C(=N)NN;UXIJBGNINYWINY-UHFFFAOYSA-N;142.21;-0.48;;;;;DOPC;MDCG;27;1;"MARTINI bead: SNd_P4";;;;;;;-1.19;;-6.84;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM436108;MM436108;C=NN1CCC(=CC#N)C1;KRSLKKBDNJDRII-UHFFFAOYSA-N;135.17;0.76;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP1_SP1";;;;;;;-0.79;;-3.13;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM436109;MM436109;CC(C(=O)C#N)N1CC1;ALYAVEMLDRFJIB-UHFFFAOYSA-N;124.14;-0.22;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNd_P1";;;;;;;0.04;;-2.63;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM436110;MM436110;CC1C(CF)CCN1C=N;YEGYRLQLUNLJMR-UHFFFAOYSA-N;144.19;1.27;;;;;DOPC;MDCG;27;1;"MARTINI bead: SNa_SNd";;;;;;;0.87;;-5.78;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM436111;MM436111;Cn1cnc(=NN)o1;MOIKQXZXUJHQIH-UHFFFAOYSA-N;114.11;-1.21;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP1_SP3";;;;;;;-1.93;;-4.72;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM436112;MM436112;COCCC=C(CO)CO;KHSWCGXJOIDUBN-UHFFFAOYSA-N;146.19;-0.07;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_P2";;;;;;;-0.24;;-3.24;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM436113;MM436113;C=NN=C1CCN(C=N)C1;UWNUKOOLVQJIOC-UHFFFAOYSA-N;138.17;0.36;;;;;DOPC;MDCG;27;1;"MARTINI bead: SP1_SP1";;;;;;;-0.79;;-6.3;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM436114;MM436114;COc1nnn[nH]1;ZWFJRXDXXCBOAC-UHFFFAOYSA-N;100.08;-0.79;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP1_SP1";;;;;;;-0.79;;-8.38;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM436115;MM436115;C=CC(F)C(C#N)NN=C;WZDXIBBPKLAJPX-UHFFFAOYSA-N;141.15;0.61;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_P1";;;;;;;0.81;;-0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM436116;MM436116;C=NN1CCC(CC)C1C;FDIVMMDQCQYGJP-UHFFFAOYSA-N;140.23;1.72;;;;;DOPC;MDCG;27;0;"MARTINI bead: SN0_SN0";;;;;;;1.47;;-0.05;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM436117;MM436117;C=CC1(C(C)NN=C)CN1;RBSXNZQNOPXWBQ-UHFFFAOYSA-N;139.2;0.11;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nd_SP1";;;;;;;0.04;;-2.63;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM436118;MM436118;COCCC=C(CF)CF;YWLRFGPCHUVGKQ-UHFFFAOYSA-N;150.17;1.89;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_C5";;;;;;;1.64;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM436119;MM436119;CCCN1CC1C(=O)NO;BYEWGIHCBOVQFN-UHFFFAOYSA-N;144.17;-0.41;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNd_P4";;;;;;;-1.19;;-4.91;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM436120;MM436120;C=NN=C1CCN(C=O)C1;VMDLRQVSIAKAKY-UHFFFAOYSA-N;139.16;-0.09;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP1_SP1";;;;;;;-0.79;;-3.13;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM436121;MM436121;O=Cn1nnc(=NO)[nH]1;XIJSJZXPQIOQNG-UHFFFAOYSA-N;129.08;-2.07;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP3_SP2";;;;;;;-2.2;;-9.58;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM436122;MM436122;C=NN1CCC(CN)C1C;VQRBCPYJVPDRHY-UHFFFAOYSA-N;141.22;0.27;;;;;DOPC;MDCG;27;1;"MARTINI bead: SP2_SN0";;;;;;;0.06;;-4.66;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM436123;MM436123;CCNCC=C(CC)CC;JVZFJNYHHOUIIL-UHFFFAOYSA-N;141.26;2.34;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_C1";;;;;;;2.91;;-0.19;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM436124;MM436124;NN=C1N=CC(=O)O1;FQOUQQMJEBXYIW-UHFFFAOYSA-N;113.08;-1.16;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP1_SP2";;;;;;;-1.06;;-3.82;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM436125;MM436125;NN=c1c(=O)o[nH]n1O;ZGIXZTHYPCPSBQ-UHFFFAOYSA-N;132.08;-2.22;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP2_SP2";;;;;;;-1.34;;-9.32;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM436126;MM436126;C=CC=C1CNN(C=N)C1;QZPAPNUECLYIIL-UHFFFAOYSA-N;137.19;0.53;;;;;DOPC;MDCG;27;1;"MARTINI bead: SP1_SP3";;;;;;;-1.93;;-6.66;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM436127;MM436127;CCCC1CN1C(=N)CC;WATRDRTVGTYIII-UHFFFAOYSA-N;140.23;1.86;;;;;DOPC;MDCG;27;1;"MARTINI bead: SN0_P1";;;;;;;0.34;;-5.53;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM436128;MM436128;C=NN1CCC(CF)C1C;NCZSOPMCQVUGNY-UHFFFAOYSA-N;144.19;1.28;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNa_SN0";;;;;;;1.17;;-1.18;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM436129;MM436129;C=COC(C)C1(C=C)CN1;SVXHJOHHVPDUFT-UHFFFAOYSA-N;139.2;1.06;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_SP1";;;;;;;0.81;;-0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM436130;MM436130;CCNCC=C(CC)CN;UEKIPMJSMFCZIC-UHFFFAOYSA-N;142.25;0.89;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_Nd";;;;;;;0.87;;-4.74;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM436131;MM436131;N=CN1CC(=CC=O)CN1;DKNBPGPBXCEMMA-UHFFFAOYSA-N;139.16;-0.46;;;;;DOPC;MDCG;27;1;"MARTINI bead: SP3_SP2";;;;;;;-2.2;;-7.14;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM436132;MM436132;COC(CC(C)(C)C)=NN;DLYFAAGKQQKUBA-UHFFFAOYSA-N;144.22;1.34;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda_C3";;;;;;;2.57;;0.44;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM436133;MM436133;CCC(=N)N1CC1CCN;GKMJZMLAPSHPNR-UHFFFAOYSA-N;141.22;0.41;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1_SP2";;;;;;;-1.06;;-7.72;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM436134;MM436134;CNC1CCN(C=N)C1C;DPKCIVMVPNLONY-UHFFFAOYSA-N;141.22;0.28;;;;;DOPC;MDCG;27;1;"MARTINI bead: SP1_SNd";;;;;;;0.04;;-6.26;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM436135;MM436135;CCNCC=C(CN)CN;SQLFIMPBUVZHQI-UHFFFAOYSA-N;143.23;-0.56;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_P5";;;;;;;-1.11;;-7.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM436136;MM436136;C=COC(C)C1(C#N)CN1;RAQPQRNCQBUIRR-UHFFFAOYSA-N;138.17;0.4;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_SP2";;;;;;;0.54;;-1.09;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM436137;MM436137;N#CC=C1CNN(C=N)C1;AXWRSXAUAYKSDV-UHFFFAOYSA-N;136.16;-0.14;;;;;DOPC;MDCG;27;1;"MARTINI bead: SP3_SP2";;;;;;;-2.2;;-7.12;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM436138;MM436138;COC(CC(C)(C)F)=NN;YAEZFFVFLQTSIY-UHFFFAOYSA-N;148.18;1.04;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda_C5";;;;;;;1.64;;0.05;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM436139;MM436139;CCCC1CN1C(=N)CO;RNDZGDUMNLIPKI-UHFFFAOYSA-N;142.2;0.44;;;;;DOPC;MDCG;27;1;"MARTINI bead: SN0_P4";;;;;;;-0.88;;-6.24;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM436140;MM436140;CNC1CCN(C=O)C1C;POJSVXGEFWXFLT-UHFFFAOYSA-N;142.2;-0.18;;;;;DOPC;MDCG;27;1;"MARTINI bead: SP1_SNda";;;;;;;0.04;;-5.08;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM436141;MM436141;C=NOC(C)C1(C#N)CN1;UTVHBUBHRUIVFQ-UHFFFAOYSA-N;139.16;-0.13;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_SP2";;;;;;;-0.24;;-3.24;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM436142;MM436142;CCNCC=C(CO)CO;WSTNMLXGJDTQNO-UHFFFAOYSA-N;145.2;-0.49;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_P2";;;;;;;-0.24;;-4.94;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM436143;MM436143;C=CC=C1CNN(C=O)C1;KAKBFLPLDDIFFR-UHFFFAOYSA-N;138.17;0.08;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP1_SP2";;;;;;;-1.06;;-3.82;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM436144;MM436144;N=C(CF)N1CC1CCN;GHUIAKGONDQBPS-UHFFFAOYSA-N;145.18;-0.03;;;;;DOPC;MDCG;27;1;"MARTINI bead: SP2_P2";;;;;;;-1.34;;-6.16;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM436145;MM436145;N=c1nn[nH]c(=NN)o1;BWQJPTVYTZOWSH-UHFFFAOYSA-N;128.1;-2.35;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP3_SP3";;;;;;;-3.07;;-10.25;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM436146;MM436146;C=NN1CCC(NC)C1C;JHIJJXCUSHIVCG-UHFFFAOYSA-N;141.22;0.28;;;;;DOPC;MDCG;27;1;"MARTINI bead: SP1_SN0";;;;;;;0.34;;-3.42;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM436147;MM436147;N=C1NOC(=O)C1=O;SFENGSIVENLWGA-UHFFFAOYSA-N;114.06;-1.41;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP2_SP2";;;;;;;-1.34;;-4.31;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM436148;MM436148;CCOCC=C(CC)CC;XSHWDVFMGUXFBQ-UHFFFAOYSA-N;142.24;2.77;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_C1";;;;;;;2.91;;0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM436149;MM436149;O=CC=C1CNN(C=O)C1;LEALHMIXDSGOII-UHFFFAOYSA-N;140.14;-0.91;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP2_SP2";;;;;;;-1.34;;-4.31;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM436150;MM436150;CCCC1CN1C(=O)CC;KRCVEXSFFUWNNZ-UHFFFAOYSA-N;141.21;1.41;;;;;DOPC;MDCG;27;0;"MARTINI bead: SN0_P2";;;;;;;0.06;;-2.21;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM436151;MM436151;CC(=O)n1oc(O)nc1=N;NKWCQVWEOBCSKY-UHFFFAOYSA-N;143.1;-0.68;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP2_SP1";;;;;;;-1.06;;-8.8;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM436152;MM436152;CC(N=CN)C1(C=O)CO1;KYQLBVWORVFQKG-UHFFFAOYSA-N;142.16;-0.67;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_SP2";;;;;;;-0.24;;-5.67;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM436153;MM436153;CCOCC=C(CC)CN;OXIHAXNIQNDMSB-UHFFFAOYSA-N;143.23;1.32;;;;;DOPC;MDCG;27;1;"MARTINI bead: Na_Nd";;;;;;;0.87;;-4.13;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM436154;MM436154;COC1CCN(C=O)C1C;ROLHIBYZBMTZBN-UHFFFAOYSA-N;143.19;0.25;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP1_SNda";;;;;;;0.04;;-2.73;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM436155;MM436155;N#CC=C1CNN(C=O)C1;FOAVENNWVLSDSI-UHFFFAOYSA-N;137.14;-0.59;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP2_SP2";;;;;;;-1.34;;-4.31;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM436156;MM436156;C#CC(C#N)C(C#N)=NO;NPHABHNLDUSNJU-UHFFFAOYSA-N;133.11;0.11;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_N0";;;;;;;0.06;;-7.16;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM436157;MM436157;NCCC1CN1C(=O)CN;SMDRQRGWGZHMHB-UHFFFAOYSA-N;143.19;-1.5;;;;;DOPC;MDCG;27;1;"MARTINI bead: SP2_P4";;;;;;;-2.29;;-8.21;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM436158;MM436158;CCOCC=C(CC)CO;IMUYYNCXCHXLIC-UHFFFAOYSA-N;144.21;1.35;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_C5";;;;;;;1.64;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM436159;MM436159;CCC1CNN(C=N)C1C;GGICFUAEBLTKNN-UHFFFAOYSA-N;141.22;0.83;;;;;DOPC;MDCG;27;1;"MARTINI bead: SP1_SP2";;;;;;;-1.06;;-6.05;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM436160;MM436160;CC(NC=O)C1(C#N)CO1;LUMOKTLLGKPHEZ-UHFFFAOYSA-N;140.14;-0.59;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_SP1";;;;;;;-0.79;;-3.13;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM436161;MM436161;C=CC=C1CON(C=O)C1;LSXBFWLZUIDKCU-UHFFFAOYSA-N;139.15;0.5;;;;;DOPC;MDCG;27;0;"MARTINI bead: SN0_SP2";;;;;;;0.06;;-2.21;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM436162;MM436162;CN=c1c(O)cn(C)n1C;SNLGKCGWRKKRKQ-UHFFFAOYSA-N;141.17;-0.4;;;;;DOPC;MDCG;27;1;"MARTINI bead: SP2_SP1";;;;;;;-1.06;;-8.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM436163;MM436163;CCCC1CN1C(=O)CO;YZYBKMVKKLKFHW-UHFFFAOYSA-N;143.19;-0.01;;;;;DOPC;MDCG;27;0;"MARTINI bead: SN0_P4";;;;;;;-0.88;;-3.74;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM436164;MM436164;CC1C(CN)CNN1C=N;DNUOMXMEJWYURY-UHFFFAOYSA-N;142.21;-0.62;;;;;DOPC;MDCG;27;1;"MARTINI bead: SP3_SP2";;;;;;;-2.2;;-7.44;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM436165;MM436165;CCOCC=C(CC)CF;YLESEECJARSPIR-UHFFFAOYSA-N;146.21;2.33;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_C3";;;;;;;2.57;;0.45;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM436166;MM436166;C=COC(C)C1(C=C)CO1;LJMGGGGCEFXCCJ-UHFFFAOYSA-N;140.18;1.49;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_SNa";;;;;;;1.64;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM436167;MM436167;O=CC=C1CON(C=O)C1;BMRWWOSFHHXYKH-UHFFFAOYSA-N;141.13;-0.48;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP1_SP2";;;;;;;-1.06;;-3.82;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM436168;MM436168;Cn1cc(O)c(=NO)n1C;JRCZRSVDPPZMMK-UHFFFAOYSA-N;143.15;-0.64;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP1_SP2";;;;;;;-1.06;;-3.82;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM436169;MM436169;NCCC1CN1C(=O)CO;IMVIBTHMRLNOML-UHFFFAOYSA-N;144.17;-1.46;;;;;DOPC;MDCG;27;1;"MARTINI bead: SP2_P4";;;;;;;-2.29;;-8.2;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM436170;MM436170;CNC1CNN(C=N)C1C;FHGTVAKULPCCKZ-UHFFFAOYSA-N;142.21;-0.61;;;;;DOPC;MDCG;27;1;"MARTINI bead: SP2_SP2";;;;;;;-1.34;;-6.25;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM436171;MM436171;CCOCC=C(CN)CO;ORSXCJMSGOGRED-UHFFFAOYSA-N;145.2;-0.1;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nda_P2";;;;;;;-0.24;;-5.19;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM436172;MM436172;C=COC(C)C1(C=O)CO1;NVAMIQORMYGBTB-UHFFFAOYSA-N;142.15;0.5;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_SP2";;;;;;;0.54;;-1.09;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM436173;MM436173;N#CC=C1CON(C=O)C1;FGTFZCPYCCEGDR-UHFFFAOYSA-N;138.13;-0.16;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP2_SP1";;;;;;;-1.06;;-3.82;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM436174;MM436174;CCCC1CN1C(=O)CF;QVWBOIHRFHTFDL-UHFFFAOYSA-N;145.18;0.97;;;;;DOPC;MDCG;27;0;"MARTINI bead: SN0_P2";;;;;;;0.06;;-2.21;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM436175;MM436175;CN=c1c(N)nn(C)n1C;OIANFWWVAXSNEV-UHFFFAOYSA-N;141.18;-1.13;;;;;DOPC;MDCG;27;1;"MARTINI bead: SP3_SP2";;;;;;;-2.2;;-6.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM436176;MM436176;C#CC1CCC(CC)C1C;PFBAHSMTTDRENE-UHFFFAOYSA-N;136.24;2.69;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC1_SC4";;;;;;;4.24;;0.42;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM436177;MM436177;CCOCC=C(CO)CO;LGMWAEAGQRKSEI-UHFFFAOYSA-N;146.19;-0.07;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_P2";;;;;;;-0.24;;-3.24;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM436178;MM436178;N=CN1CCC(=CC=O)N1;YLRISOWPCNRNML-UHFFFAOYSA-N;139.16;-0.11;;;;;DOPC;MDCG;27;1;"MARTINI bead: SP3_SP2";;;;;;;-2.2;;-7.05;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM436179;MM436179;C=COC(C)C1(C#N)CO1;FOBHGCNDSOWLOJ-UHFFFAOYSA-N;139.15;0.83;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_SP1";;;;;;;0.81;;-0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM436180;MM436180;NCCC1CN1C(=O)CF;NRDISNAKKALDFR-UHFFFAOYSA-N;146.17;-0.48;;;;;DOPC;MDCG;27;1;"MARTINI bead: SP2_P2";;;;;;;-1.34;;-6.66;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM436181;MM436181;COC(CC(C)(F)F)=NN;ZEUWBDMEKRZNQE-UHFFFAOYSA-N;152.14;0.95;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_P1";;;;;;;0.81;;-0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM436182;MM436182;C#CC1CCC(CN)C1C;DTGQGJCDYJCLDF-UHFFFAOYSA-N;137.23;1.24;;;;;DOPC;MDCG;27;1;"MARTINI bead: SC5_SC4";;;;;;;2.97;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM436183;MM436183;CCOCC=C(CO)CF;NAYDJCRRQYNODI-UHFFFAOYSA-N;148.18;0.91;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_Nda";;;;;;;0.87;;-1.99;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM436184;MM436184;N#CC=C1CCN(C=N)N1;RVEUZPXZUDUDKG-UHFFFAOYSA-N;136.16;0.21;;;;;DOPC;MDCG;27;1;"MARTINI bead: SP3_SP1";;;;;;;-1.93;;-6.56;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM436185;MM436185;C#CCC(C)C1(C#N)CC1;YRGMASMECAGMBV-UHFFFAOYSA-N;133.19;1.95;;;;;DOPC;MDCG;27;0;"MARTINI bead: C3_SN0";;;;;;;2.87;;0.37;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM436186;MM436186;O=C(CF)N1CC1CCO;RIRDPVRNUCASCM-UHFFFAOYSA-N;147.15;-0.45;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP2_P2";;;;;;;-1.34;;-4.31;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM436187;MM436187;C#CC1CCC(CF)C1C;VGFFBHGCWZBOBZ-UHFFFAOYSA-N;140.2;2.25;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC3_SC4";;;;;;;3.9;;0.47;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM436188;MM436188;COC(CC(F)(F)F)=NN;MHVYWMLRIKVTFM-UHFFFAOYSA-N;156.11;0.86;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda_N0";;;;;;;1.17;;-1.13;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM436189;MM436189;CCCCC=C(CC)OC;KYCBJDLJGPSJKD-UHFFFAOYSA-N;142.24;3.12;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1_C4";;;;;;;4.24;;0.42;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM436190;MM436190;O=CC=C1CCN(C=O)N1;QZLLFKNYFXDHHR-UHFFFAOYSA-N;140.14;-0.56;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP2_SP2";;;;;;;-1.34;;-4.31;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM436191;MM436191;CNCC1CN1C(=N)CN;FCDGIJNKLLJIPQ-UHFFFAOYSA-N;142.21;-1.17;;;;;DOPC;MDCG;27;1;"MARTINI bead: SP2_P4";;;;;;;-2.29;;-8.21;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM436192;MM436192;C#CCC(N)C1(C=C)CN1;LNZYPLVVANOCDP-UHFFFAOYSA-N;136.2;-0.14;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_SP1";;;;;;;0.04;;-4.53;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM436193;MM436193;NC(=O)C(N)=C(F)C(=O)O;OSGZGQCULXXTPT-UHFFFAOYSA-N;148.09;-1.3;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_P1";;;;;;;-1.06;;-8.8;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM436194;MM436194;C#CC1CCC(CC)C1N;KTJXZLFLBBEDLE-UHFFFAOYSA-N;137.23;1.38;;;;;DOPC;MDCG;27;1;"MARTINI bead: SC1_SNd";;;;;;;2.91;;-0.55;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM436195;MM436195;CCC(=CCCCN)OC;LQMWWROOZXTJAL-UHFFFAOYSA-N;143.23;1.67;;;;;DOPC;MDCG;27;1;"MARTINI bead: C4_Nd";;;;;;;2.2;;-2.21;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM436196;MM436196;N#CC=C1CCN(C=O)N1;QSEGAPZRGPPCIR-UHFFFAOYSA-N;137.14;-0.24;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP2_SP1";;;;;;;-1.06;;-3.82;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM436197;MM436197;CCCC1CN1C(=N)NC;ICOSXOBKLSVOHP-UHFFFAOYSA-N;141.22;0.62;;;;;DOPC;MDCG;27;1;"MARTINI bead: SN0_P3";;;;;;;-0.8;;-7.07;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM436198;MM436198;C#CC1(C(C)CCC)CC1;OILXDOLKJCKJPZ-UHFFFAOYSA-N;136.24;2.84;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1_SC5";;;;;;;3.68;;0.46;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM436199;MM436199;CCCCC=C(CO)OC;UJWAYAUDSJQCCH-UHFFFAOYSA-N;144.21;1.7;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1_Nda";;;;;;;2.91;;0.57;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM436200;MM436200;CN=c1c(=O)on(C)n1C;JWBHCBPFLUTNIY-UHFFFAOYSA-N;143.15;-1.15;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP2_SP1";;;;;;;-1.06;;-3.82;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM436201;MM436201;C#CC1CCC(CN)C1N;ZYAWCAJGZXKIGN-UHFFFAOYSA-N;138.21;-0.07;;;;;DOPC;MDCG;27;1;"MARTINI bead: SC5_SNd";;;;;;;1.64;;-2.66;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM436202;MM436202;N=CNC1=NN(C=N)CC1;KWUWUGLLKRDCLV-UHFFFAOYSA-N;139.16;-0.19;;;;;DOPC;MDCG;27;1;"MARTINI bead: SP2_SP2";;;;;;;-1.34;;-5.32;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM436203;MM436203;N=C(NO)N1CC1CCN;NFHDXKUNGTWSLJ-UHFFFAOYSA-N;144.18;-1.07;;;;;DOPC;MDCG;27;1;"MARTINI bead: SP2_P4";;;;;;;-2.29;;-8.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM436204;MM436204;C#CC1(C(O)CCN)CC1;TUEJNJYPOANSFJ-UHFFFAOYSA-N;139.2;0.11;;;;;DOPC;MDCG;27;1;"MARTINI bead: P2_SC5";;;;;;;0.54;;-3.5;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM436205;MM436205;CCC(=CCCNC)OC;UYRCPOGTCNRCKF-UHFFFAOYSA-N;143.23;1.54;;;;;DOPC;MDCG;27;1;"MARTINI bead: C4_Nd";;;;;;;2.2;;-2.47;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM436206;MM436206;C#CC1CCC(NC)C1N;GQUWHBLDGFVDOR-UHFFFAOYSA-N;138.21;-0.06;;;;;DOPC;MDCG;27;1;"MARTINI bead: SNd_SNd";;;;;;;0.87;;-4.94;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM436207;MM436207;C=CC(=NN)OC(C)(C)C;JPHQNGPMGAGWTA-UHFFFAOYSA-N;142.2;1.26;;;;;DOPC;MDCG;27;0;"MARTINI bead: C3_Nda";;;;;;;2.57;;0.44;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM436208;MM436208;C#CC=C1CCC(C=C)C1;ZWQIKBUDVSEGQS-UHFFFAOYSA-N;132.21;2.53;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC2_SC4";;;;;;;4.16;;0.44;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM436209;MM436209;CNCC1CN1C(=N)NN;XNCCCENVNYWWAT-UHFFFAOYSA-N;143.19;-1.71;;;;;DOPC;MDCG;27;1;"MARTINI bead: SP2_P4";;;;;;;-2.29;;-9.18;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM436210;MM436210;C#CC1NCC(CC)C1C;NFYQEUKOUYRFEG-UHFFFAOYSA-N;137.23;1.25;;;;;DOPC;MDCG;27;1;"MARTINI bead: SN0_SNd";;;;;;;1.17;;-4.05;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM436211;MM436211;C#CC1(C(C)CNC)CC1;FTHXGBYRHQBDPN-UHFFFAOYSA-N;137.23;1.26;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1_SC4";;;;;;;1.37;;-3.16;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM436212;MM436212;CNCCC=C(CN)OC;JBAGNQCPMYCEHQ-UHFFFAOYSA-N;144.22;0.08;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_P2";;;;;;;-0.24;;-6.2;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM436213;MM436213;Cn1oc(=O)c(=NO)n1C;SFTASKYGPCLJIO-UHFFFAOYSA-N;145.12;-1.39;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP1_SP2";;;;;;;-1.06;;-3.82;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM436214;MM436214;C#CC=C1CCC(C=O)C1;DPVCFGYSHJSGKW-UHFFFAOYSA-N;134.18;1.55;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNa_SC4";;;;;;;2.2;;0.34;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM436215;MM436215;C=CCC1CC1C(=C)CC;ODEFRUORJVVATJ-UHFFFAOYSA-N;136.24;3.16;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1_SC4";;;;;;;4.24;;0.42;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM436216;MM436216;CCC(=CCCOC)OC;RUAUZSOORHNFQN-UHFFFAOYSA-N;144.21;1.96;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4_Na";;;;;;;2.2;;0.34;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM436217;MM436217;C#CC1(C(O)CNC)CC1;KCLUIXZDQLQWCJ-UHFFFAOYSA-N;139.2;-0.02;;;;;DOPC;MDCG;27;1;"MARTINI bead: P2_SC5";;;;;;;0.54;;-3.58;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM436218;MM436218;C#CC1NCC(CN)C1C;UKGLHKLATGJIQP-UHFFFAOYSA-N;138.21;-0.2;;;;;DOPC;MDCG;27;1;"MARTINI bead: SP1_SNd";;;;;;;0.04;;-5.48;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM436219;MM436219;CN=c1c(=O)on(C)n1N;NPPNOXSGBSDJLU-UHFFFAOYSA-N;144.13;-1.98;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP2_SP2";;;;;;;-1.34;;-4.31;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM436220;MM436220;C#CC=C1CCC(C#N)C1;OOHVBZNFZPAHHD-UHFFFAOYSA-N;131.18;1.87;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC4_SC5";;;;;;;2.97;;0.45;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM436221;MM436221;C=C(CC)C1CC1CC#N;FNKMQRTXLUZXIY-UHFFFAOYSA-N;135.21;2.5;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1_SC5";;;;;;;3.68;;0.46;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM436222;MM436222;CCOCC=C(CC)OC;KSWSWQKJTJUSJG-UHFFFAOYSA-N;144.21;1.96;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_C4";;;;;;;2.2;;0.34;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM436223;MM436223;C#CC1NCC(CO)C1C;IDCMUNCAMYEXIO-UHFFFAOYSA-N;139.2;-0.16;;;;;DOPC;MDCG;27;1;"MARTINI bead: SP1_SNd";;;;;;;0.04;;-5.12;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM436224;MM436224;C#CC1(C(C)COC)CC1;YDEFUFDUXVKZFX-UHFFFAOYSA-N;138.21;1.68;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_SC5";;;;;;;1.64;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM436225;MM436225;CC(=NN)OCC(C)(F)F;YMWGSYVYTHEOPC-UHFFFAOYSA-N;152.14;0.95;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_C5";;;;;;;0.54;;-1.09;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM436226;MM436226;C#CC=C1CNC(C=C)C1;GKOREHHFUIKRQQ-UHFFFAOYSA-N;133.19;1.09;;;;;DOPC;MDCG;27;1;"MARTINI bead: SNd_SN0";;;;;;;1.17;;-3.41;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM436227;MM436227;C=CCC1CC1C(=C)CO;QAXRCFVOBMVHQM-UHFFFAOYSA-N;138.21;1.75;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda_SC4";;;;;;;2.2;;0.49;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM436228;MM436228;C#CC1NCC(CC)C1N;IPSUSGWQGADEBL-UHFFFAOYSA-N;138.21;-0.06;;;;;DOPC;MDCG;27;1;"MARTINI bead: SN0_SP2";;;;;;;0.06;;-4.69;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM436229;MM436229;C#CC1(C(C)NCC)CC1;PAEMNAOQPVAUOX-UHFFFAOYSA-N;137.23;1.4;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_SC5";;;;;;;1.64;;-2.82;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM436230;MM436230;CCOCC=C(CO)OC;BKJJSRIZHWDFGL-UHFFFAOYSA-N;146.19;0.55;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_P2";;;;;;;0.54;;-1.09;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM436231;MM436231;CC(=NN)OCC(F)(F)F;RIXFSBPUZDCMHE-UHFFFAOYSA-N;156.11;0.86;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda_N0";;;;;;;1.17;;-1.13;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM436232;MM436232;C#CC=C1CNC(C=O)C1;HENXFLCNAKZHDT-UHFFFAOYSA-N;135.17;0.11;;;;;DOPC;MDCG;27;1;"MARTINI bead: SP1_SN0";;;;;;;0.34;;-2.64;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM436233;MM436233;C=C(CO)C1CC1CC#N;VSRPDYKVUAALTH-UHFFFAOYSA-N;137.18;1.08;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda_SC5";;;;;;;1.64;;0.05;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM436234;MM436234;C#CC1OCC(CC)C1C;JXIABLIFRUDSKY-UHFFFAOYSA-N;138.21;1.68;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC5_SNa";;;;;;;1.64;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM436235;MM436235;C#CC1(C(C)OCC)CC1;LZUQAHCYDJLKMS-UHFFFAOYSA-N;138.21;1.82;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_SC5";;;;;;;2.41;;0.64;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM436236;MM436236;CCCOC=C(CC)CC;WMFZNHCMRKWXDE-UHFFFAOYSA-N;142.24;3.12;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_C1";;;;;;;2.91;;0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM436237;MM436237;CCC(C)(C)OC(C)=NN;WLNNLLJZOPASSP-UHFFFAOYSA-N;144.22;1.48;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1_P2";;;;;;;1.8;;0.4;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM436238;MM436238;C#CC=C1CNC(C#N)C1;IMATXNWPFXDMNJ-UHFFFAOYSA-N;132.17;0.43;;;;;DOPC;MDCG;27;0;"MARTINI bead: SN0_SP1";;;;;;;0.34;;-1.53;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM436239;MM436239;C=CCC1CC1C(=C)CF;FDBQGKQIYJXHMP-UHFFFAOYSA-N;140.2;2.72;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4_SC4";;;;;;;3.53;;0.53;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM436240;MM436240;C#CC1(N(C)CCC)CC1;FFUCFISOVCLKLT-UHFFFAOYSA-N;137.23;1.49;;;;;DOPC;MDCG;27;1;"MARTINI bead: C3_SNd";;;;;;;2.57;;-0.38;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM436241;MM436241;C#CC1OCC(NC)C1C;PJNIRBIOMGFFDT-UHFFFAOYSA-N;139.2;0.24;;;;;DOPC;MDCG;27;1;"MARTINI bead: SNd_SNa";;;;;;;0.87;;-4.28;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM436242;MM436242;CCC(=COCCN)CC;AUZPQTPPLMMFIQ-UHFFFAOYSA-N;143.23;1.67;;;;;DOPC;MDCG;27;1;"MARTINI bead: C1_P3";;;;;;;0.94;;-1.8;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM436243;MM436243;Cn1oc(=O)c(=NN)n1O;JUMBXABVJVPTBG-UHFFFAOYSA-N;146.11;-2.21;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP2_SP2";;;;;;;-1.34;;-4.31;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM436244;MM436244;C#CC=C1COC(C=C)C1;XMHIFRDZMBXACK-UHFFFAOYSA-N;134.18;1.52;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNa_SN0";;;;;;;1.17;;-1.18;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM436245;MM436245;C=CCC1CC1C(=O)CC;USJOIJMMBCMWMG-UHFFFAOYSA-N;138.21;2.18;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_SC4";;;;;;;2.2;;0.34;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM436246;MM436246;C#CC1(C(C)CCC)CN1;JBCLNZLUCYTMPH-UHFFFAOYSA-N;137.23;1.4;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1_SP3";;;;;;;0.94;;0.05;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM436247;MM436247;CCC(=COCCO)CC;AYIGDADSMKUZDN-UHFFFAOYSA-N;144.21;1.7;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1_P3";;;;;;;0.94;;0.03;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM436248;MM436248;C#CC1CNC(CC)C1C;XRTRPDRLIJTVQS-UHFFFAOYSA-N;137.23;1.25;;;;;DOPC;MDCG;27;1;"MARTINI bead: SNd_SP1";;;;;;;0.04;;-6.38;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM436249;MM436249;Cn1oc(=O)c(=NO)n1O;XKTYYGICJYXTFU-UHFFFAOYSA-N;147.09;-1.69;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP2_SP2";;;;;;;-1.34;;-4.31;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM436250;MM436250;CCC(=O)C1CC1CC=O;PNYOXJJAGAOBFB-UHFFFAOYSA-N;140.18;1.19;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_SNa";;;;;;;0.87;;-2.22;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM436251;MM436251;C#CC=C1COC(C=O)C1;HBADMVKUJIGWCQ-UHFFFAOYSA-N;136.15;0.53;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP1_SN0";;;;;;;0.34;;-1.53;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM436252;MM436252;C#CC1CNC(CC)C1N;UVAWGYPWZLAUGS-UHFFFAOYSA-N;138.21;-0.06;;;;;DOPC;MDCG;27;1;"MARTINI bead: SNd_SP2";;;;;;;-0.24;;-6.31;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM436253;MM436253;CCC(=COCCF)CC;MTMBQBWDRDAFJO-UHFFFAOYSA-N;146.21;2.68;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1_P2";;;;;;;1.8;;0.4;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM436254;MM436254;C#CC1(C(C)CCN)CN1;CNDONCDDGGMQHP-UHFFFAOYSA-N;138.21;-0.05;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1_SNd";;;;;;;0.04;;-5.41;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM436255;MM436255;C=c1[nH]c(=N)n(C)c1=CC;WUBIPXCAESLEGV-UHFFFAOYSA-N;137.19;-0.96;;;;;DOPC;MDCG;27;1;"MARTINI bead: SN0_SP1";;;;;;;0.34;;-5.5;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM436256;MM436256;CCC(=O)C1CC1CC#N;ZDKNZSPGEPYPMQ-UHFFFAOYSA-N;137.18;1.52;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_SC5";;;;;;;1.64;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM436257;MM436257;C#CC=C1COC(C#N)C1;QYYPSEHLXXMTMO-UHFFFAOYSA-N;133.15;0.86;;;;;DOPC;MDCG;27;0;"MARTINI bead: SN0_SNa";;;;;;;1.17;;-1.18;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM436258;MM436258;C#CC1(C(N)CNC)CN1;CDWGWNXNWKMBFQ-UHFFFAOYSA-N;139.2;-1.49;;;;;DOPC;MDCG;27;1;"MARTINI bead: P3_SP3";;;;;;;-3.07;;-8.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM436259;MM436259;CCCOC=C(CC)CN;APLFOZQKAYSRON-UHFFFAOYSA-N;143.23;1.67;;;;;DOPC;MDCG;27;1;"MARTINI bead: Na_Nd";;;;;;;0.87;;-4.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM436260;MM436260;CC1C(C=O)CCC1C=O;UYKULSHLUMKMPD-UHFFFAOYSA-N;140.18;1.05;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC5_SNa";;;;;;;1.64;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM436261;MM436261;C=c1[nH]c(=N)n(C)c1=CF;LTHJWSXKOGZMNR-UHFFFAOYSA-N;141.15;-1.05;;;;;DOPC;MDCG;27;1;"MARTINI bead: SP1_SP1";;;;;;;-0.79;;-5.84;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM436262;MM436262;C#CC1(C(C)COC)CN1;YJAMUOJDXJDNST-UHFFFAOYSA-N;139.2;0.24;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_SP3";;;;;;;-1.1;;-4.2;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM436263;MM436263;C#CC=C1CC(C=C)CO1;LFYYBZLQHVWPDF-UHFFFAOYSA-N;134.18;1.73;;;;;DOPC;MDCG;27;0;"MARTINI bead: SN0_SNa";;;;;;;1.17;;-1.18;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM436264;MM436264;CCC(=COCCN)CN;WWOVQIYCKHDFLQ-UHFFFAOYSA-N;144.22;0.21;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_P2";;;;;;;-0.24;;-5.55;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM436265;MM436265;C=CCC1CC1C(=O)CO;JVJUWECKWYXWHV-UHFFFAOYSA-N;140.18;0.76;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_SC4";;;;;;;1.09;;-0.38;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM436266;MM436266;C=CC1CCC(C#N)C1O;LXBALIYZOUNEOS-UHFFFAOYSA-N;137.18;1.08;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC2_SNda";;;;;;;2.83;;0.57;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM436267;MM436267;C=c1[nH]c(=O)n(C)c1=CC;QAHQMPPLENHFAM-UHFFFAOYSA-N;138.17;-1.08;;;;;DOPC;MDCG;27;0;"MARTINI bead: SN0_SP2";;;;;;;0.06;;-2.21;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM436268;MM436268;C#CC=C1CC(C=O)CO1;SZDKDFIXBKVKRT-UHFFFAOYSA-N;136.15;0.74;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP1_SNa";;;;;;;0.04;;-2.54;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM436269;MM436269;C=CCC1CC1C(=N)NC;AUDCVHSWULYAEC-UHFFFAOYSA-N;138.21;1.4;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1_SC4";;;;;;;1.37;;-5.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM436270;MM436270;C#CC1(C(C)NCC)CN1;SATJRBZMTKSNGH-UHFFFAOYSA-N;138.21;-0.04;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_SP3";;;;;;;-1.1;;-5.76;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM436271;MM436271;CCCOC=C(CC)CO;YZTWSQBOESIJTB-UHFFFAOYSA-N;144.21;1.7;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_C5";;;;;;;1.64;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM436272;MM436272;C=CC1COC(C=C)C1C;WCZAJISWSQGHGG-UHFFFAOYSA-N;138.21;2.01;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC5_SNa";;;;;;;1.64;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM436273;MM436273;C=c1[nH]c(=O)n(C)c1=CF;INVPKTYMAIYAKS-UHFFFAOYSA-N;142.13;-1.17;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP2_SP1";;;;;;;-1.06;;-3.82;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM436274;MM436274;C#CC1(C(C)OCC)CN1;YKUCPJYSAPCXGW-UHFFFAOYSA-N;139.2;0.39;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_SP3";;;;;;;-0.33;;-2.01;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM436275;MM436275;CNC(=N)C1CC1CC#N;YKPZTDHCQADGHU-UHFFFAOYSA-N;137.19;0.73;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1_SC5";;;;;;;0.81;;-5.65;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM436276;MM436276;C#CC=C1CC(C#N)CO1;KHTDYOLBCDGZRD-UHFFFAOYSA-N;133.15;1.06;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNa_SP1";;;;;;;0.04;;-2.54;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM436277;MM436277;CCC(=COCCN)CO;ZQBQKFBTAZYRAO-UHFFFAOYSA-N;145.2;0.25;;;;;DOPC;MDCG;27;1;"MARTINI bead: C5_P3";;;;;;;-0.33;;-4.01;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM436278;MM436278;C=CC1OCC(C#N)C1C;NBKJQCTWFXXWDZ-UHFFFAOYSA-N;137.18;1.35;;;;;DOPC;MDCG;27;0;"MARTINI bead: SN0_SNa";;;;;;;1.17;;-1.18;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM436279;MM436279;C=c1[nH]c(=N)n(N)c1=CC;MGQXWRSHVYFSAT-UHFFFAOYSA-N;138.17;-1.78;;;;;DOPC;MDCG;27;1;"MARTINI bead: SN0_SP2";;;;;;;0.06;;-5.65;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM436280;MM436280;C#CC1(C(C)CCN)CO1;HPLGBWGVSJJJFO-UHFFFAOYSA-N;139.2;0.37;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1_SNa";;;;;;;0.04;;-5.31;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM436281;MM436281;C#CC=C1CCC(C=C)O1;MMTSMVSSVRNQEB-UHFFFAOYSA-N;134.18;1.87;;;;;DOPC;MDCG;27;0;"MARTINI bead: SN0_SNa";;;;;;;1.17;;-1.18;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM436282;MM436282;C=CCC1CC1C(=N)NN;YIVMNGAOFYMJTB-UHFFFAOYSA-N;139.2;0.64;;;;;DOPC;MDCG;27;1;"MARTINI bead: P2_SC4";;;;;;;1.09;;-3.98;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM436283;MM436283;CCC(=COCCF)CO;KGDSNYYCLIPCSR-UHFFFAOYSA-N;148.18;1.26;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_P2";;;;;;;0.54;;-1.09;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM436284;MM436284;C=c1[nH]c(=O)n(N)c1=CC;YCSMSDRVPZWEMR-UHFFFAOYSA-N;139.16;-1.9;;;;;DOPC;MDCG;27;0;"MARTINI bead: SN0_SP3";;;;;;;-0.8;;-2.99;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM436285;MM436285;CC1C(C#N)COC1C#N;VTGXGQQTLRFSAL-UHFFFAOYSA-N;136.15;0.68;;;;;DOPC;MDCG;27;0;"MARTINI bead: SN0_SNa";;;;;;;1.17;;-1.18;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM436286;MM436286;C#CC1(C(N)CCC)CO1;IMMWGELAUFDFSI-UHFFFAOYSA-N;139.2;0.52;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_SNa";;;;;;;0.87;;-3.84;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM436287;MM436287;C#CC=C1CCC(C=O)O1;BVZMEUDOESWUQX-UHFFFAOYSA-N;136.15;0.88;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP1_SNa";;;;;;;0.04;;-2.54;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM436288;MM436288;CCC(=COCCN)CF;ONNSIYGSBYAREY-UHFFFAOYSA-N;147.19;1.23;;;;;DOPC;MDCG;27;1;"MARTINI bead: C3_P3";;;;;;;0.6;;-2.77;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM436289;MM436289;CC#CC(=CN=NC)NN;UBHIYBPCZFTWAG-UHFFFAOYSA-N;138.17;0.4;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_Nd";;;;;;;1.64;;0.02;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM436290;MM436290;C=c1[nH]c(=O)n(N)c1=CF;PGVKKFRJINEVTA-UHFFFAOYSA-N;143.12;-1.99;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP3_SP1";;;;;;;-1.93;;-4.72;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM436291;MM436291;C=CC1CCC(C=C)N1C;NFULMOVWWUZTPT-UHFFFAOYSA-N;137.23;1.82;;;;;DOPC;MDCG;27;1;"MARTINI bead: SN0_SNd";;;;;;;1.17;;-2.92;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM436292;MM436292;C#CC1(C(C)COC)CO1;KSOMLKQPCVNLGI-UHFFFAOYSA-N;140.18;0.67;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_SNa";;;;;;;0.87;;-2.22;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM436293;MM436293;C#CC=C1CCC(C#N)O1;BRIGYLKPFKPJSN-UHFFFAOYSA-N;133.15;1.21;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNa_SP1";;;;;;;0.04;;-2.54;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM436294;MM436294;CCC(=COCCO)CF;JJGWHAAXHLGQQO-UHFFFAOYSA-N;148.18;1.26;;;;;DOPC;MDCG;27;0;"MARTINI bead: C3_P3";;;;;;;0.6;;-0.8;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM436295;MM436295;N#CCC1CC1C(=N)NO;FQNLZHLLRYYDSX-UHFFFAOYSA-N;139.16;0.49;;;;;DOPC;MDCG;27;1;"MARTINI bead: P2_SC5";;;;;;;0.54;;-3.55;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM436296;MM436296;C=c1[nH]c(=N)n(O)c1=CC;QNLAGSAEWQFPPO-UHFFFAOYSA-N;139.16;-1.26;;;;;DOPC;MDCG;27;1;"MARTINI bead: SN0_SP2";;;;;;;0.06;;-4.13;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM436297;MM436297;C=CC1CCN(C=N)C1C;JGDAJNBGTHWJMF-UHFFFAOYSA-N;138.21;1.49;;;;;DOPC;MDCG;27;1;"MARTINI bead: SN0_SNd";;;;;;;1.17;;-4.92;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM436298;MM436298;C#CC1(C(C)NCC)CO1;QGDXSXBAPSGFBH-UHFFFAOYSA-N;139.2;0.39;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_SNa";;;;;;;0.87;;-3.8;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM436299;MM436299;C#CC=C1COC(C=C)O1;RUZDXZPIKJELFI-UHFFFAOYSA-N;136.15;1.06;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNa_SNa";;;;;;;0.87;;-2.22;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM436300;MM436300;C=c1oc(=C)n(C)c1=NC;XVANMGHHZROZKR-UHFFFAOYSA-N;138.17;-1.03;;;;;DOPC;MDCG;27;1;"MARTINI bead: SP1_SN0";;;;;;;0.34;;-4.28;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM436301;MM436301;CCCOC=C(CN)CO;NSNJCXNZHHOKLN-UHFFFAOYSA-N;145.2;0.25;;;;;DOPC;MDCG;27;1;"MARTINI bead: Na_P2";;;;;;;-0.24;;-5.04;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM436302;MM436302;N=c1nnc(=O)c(N)co1;WRNQAQHQKHKISG-UHFFFAOYSA-N;140.1;-1.51;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP3_SP3";;;;;;;-3.07;;-6.15;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM436303;MM436303;C=CC1CCN(C=O)C1C;YGZQFVNCJYESFY-UHFFFAOYSA-N;139.2;1.04;;;;;DOPC;MDCG;27;0;"MARTINI bead: SN0_SNda";;;;;;;1.17;;-1.13;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM436304;MM436304;C#CC1(C(C)OCC)CO1;SFRLHLYSDGKWDH-UHFFFAOYSA-N;140.18;0.81;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_SNa";;;;;;;1.64;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM436305;MM436305;C#CC=C1COC(C=O)O1;DJCALTCPDGPQLQ-UHFFFAOYSA-N;138.12;0.08;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP2_SNa";;;;;;;-0.24;;-3.24;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM436306;MM436306;CNC(=O)C1CC1CC=O;FVCYFFWEUQMTAU-UHFFFAOYSA-N;141.17;-0.04;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_SNa";;;;;;;-0.24;;-3.24;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM436307;MM436307;NCC(=COCCF)CF;LFFRACORTSODJY-UHFFFAOYSA-N;151.16;0.78;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1_Na";;;;;;;0.04;;-4.63;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM436308;MM436308;C=c1oc(=C)n(C)c1=NO;WQOBDSSEFJAHCS-UHFFFAOYSA-N;140.14;-1.27;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP1_SP2";;;;;;;-1.06;;-3.82;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM436309;MM436309;CC1C(C=O)CCN1C=N;XNLVVRVBNUMNQE-UHFFFAOYSA-N;140.19;0.5;;;;;DOPC;MDCG;27;1;"MARTINI bead: SP2_SNd";;;;;;;-0.24;;-6.91;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM436310;MM436310;C#CC=C1COC(C#N)O1;RURHYQRTRVYQAL-UHFFFAOYSA-N;135.12;0.4;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNa_SP1";;;;;;;0.04;;-2.54;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM436311;MM436311;C#CC1(C(C)CC=C)CC1;OOLRCLSFABRSPO-UHFFFAOYSA-N;134.22;2.61;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1_SC5";;;;;;;3.68;;0.46;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM436312;MM436312;CNC(=O)C1CC1CC#N;NRTKHTHIZYDMKV-UHFFFAOYSA-N;138.17;0.28;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_SC5";;;;;;;0.54;;-1.09;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM436313;MM436313;CCCOC=C(CO)CO;XKFUIHCDEWZIDW-UHFFFAOYSA-N;146.19;0.28;;;;;DOPC;MDCG;27;0;"MARTINI bead: C3_P3";;;;;;;0.6;;-0.8;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM436314;MM436314;CC(=NN)OC(C)(C)CF;JGGMBZLCTRDOJJ-UHFFFAOYSA-N;148.18;1.04;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_C4";;;;;;;1.09;;-0.38;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM436315;MM436315;N=CN1CCC(=O)C=N1;GRAPAEIFCDUHEH-UHFFFAOYSA-N;125.13;-0.15;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP1_SP1";;;;;;;-0.79;;-3.13;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM436316;MM436316;C#CC=C1CCN(C=N)C1;KOJXWVVBPNFYFT-UHFFFAOYSA-N;134.18;0.86;;;;;DOPC;MDCG;27;1;"MARTINI bead: SP1_SN0";;;;;;;0.34;;-5.16;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM436317;MM436317;C#CC1(C(C)CC=O)CC1;KCNXSHAHARTNRB-UHFFFAOYSA-N;136.19;1.62;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_SC4";;;;;;;2.2;;0.34;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM436318;MM436318;NCCOC=C(CO)CO;VZLBCZHHTMKVQW-UHFFFAOYSA-N;147.17;-1.17;;;;;DOPC;MDCG;27;1;"MARTINI bead: P3_P2";;;;;;;-2.2;;-7.19;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM436319;MM436319;C=c1oc(=C)n(N)c1=NO;XMZLTXBLICNXDI-UHFFFAOYSA-N;141.13;-2.09;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP1_SP2";;;;;;;-1.06;;-3.82;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM436320;MM436320;C=CCC1CC1C(=C)OC;HHHUSAUUXRSEFY-UHFFFAOYSA-N;138.21;2.36;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_SC4";;;;;;;2.97;;0.45;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM436321;MM436321;C=CC1CCN(N=C)C1C;KRMABPVLSMGIMC-UHFFFAOYSA-N;138.21;1.5;;;;;DOPC;MDCG;27;0;"MARTINI bead: SN0_SN0";;;;;;;1.47;;-0.05;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM436322;MM436322;C#CC=C1CCN(C=O)C1;JQRBRTKTDVQPAM-UHFFFAOYSA-N;135.17;0.41;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP1_SN0";;;;;;;0.34;;-1.53;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM436323;MM436323;C#CC1(C(C)CC#N)CC1;QGWWDHXTVHHCRD-UHFFFAOYSA-N;133.19;1.95;;;;;DOPC;MDCG;27;0;"MARTINI bead: N0_SC5";;;;;;;1.94;;0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM436324;MM436324;C=CC(C)(C)OC(C)=NN;WIYGZJVUNBPGHE-UHFFFAOYSA-N;142.2;1.26;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_C2";;;;;;;1.72;;0.27;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM436325;MM436325;OCC(=COCCF)CO;HEWLAMJPJHIWKX-UHFFFAOYSA-N;150.15;-0.16;;;;;DOPC;MDCG;27;0;"MARTINI bead: P3_C5";;;;;;;-0.33;;-2.01;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM436326;MM436326;C=C(OC)C1CC1CC=O;ZEGYSYPNKPJWMZ-UHFFFAOYSA-N;140.18;1.37;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_SNa";;;;;;;1.64;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM436327;MM436327;C=CC1CNN(C=N)C1C;USSHMITWPHWYIE-UHFFFAOYSA-N;139.2;0.6;;;;;DOPC;MDCG;27;1;"MARTINI bead: SP2_SP2";;;;;;;-1.34;;-6.45;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM436328;MM436328;C#CC=C1CCN(N=C)C1;VCNYOGYESIIKRO-UHFFFAOYSA-N;134.18;0.87;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP1_SN0";;;;;;;0.34;;-1.53;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM436329;MM436329;C#CC1(C(N)CC=C)CC1;CHGAWVUGMPDMJS-UHFFFAOYSA-N;135.21;1.3;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_SC5";;;;;;;1.64;;-2.64;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM436330;MM436330;C=C(OC)C1CC1CC#N;YGYIWAFIWUTBII-UHFFFAOYSA-N;137.18;1.7;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_SC5";;;;;;;2.41;;0.64;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM436331;MM436331;CCCOC=C(CO)CF;CZJFZWGBYOPMKU-UHFFFAOYSA-N;148.18;1.26;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_Nda";;;;;;;0.87;;-1.99;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM436332;MM436332;C=c1oc(=C)n(O)c1=NO;ZICRUXPLMZDNDR-UHFFFAOYSA-N;142.11;-1.57;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP1_SP2";;;;;;;-1.06;;-3.82;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM436333;MM436333;CC1C(C=O)CNN1C=N;QLSYCQYUIBXOHG-UHFFFAOYSA-N;141.17;-0.38;;;;;DOPC;MDCG;27;1;"MARTINI bead: SP3_SP2";;;;;;;-2.2;;-7.24;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM436334;MM436334;C#CC=C1CNN(C=N)C1;VRRMIIITCDJODK-UHFFFAOYSA-N;135.17;-0.03;;;;;DOPC;MDCG;27;1;"MARTINI bead: SP3_SP2";;;;;;;-2.2;;-7.12;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM436335;MM436335;C=C(CC)C1CC1NC=N;SOAMIKKIQYWOPY-UHFFFAOYSA-N;138.21;1.54;;;;;DOPC;MDCG;27;1;"MARTINI bead: C1_SP1";;;;;;;2.08;;-2.42;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM436336;MM436336;C#CC1(C(C)NC=N)CC1;PILDBDAAYALIMN-UHFFFAOYSA-N;136.2;0.98;;;;;DOPC;MDCG;27;1;"MARTINI bead: P2_SC5";;;;;;;0.54;;-4.95;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM436337;MM436337;NCCOC=C(CO)CF;ZXLKYAAPPRXRPM-UHFFFAOYSA-N;149.17;-0.19;;;;;DOPC;MDCG;27;1;"MARTINI bead: P3_Nda";;;;;;;-1.1;;-5.98;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM436338;MM436338;NN=CON=C(N)C(=O)O;DBGJTHHMXYJZJF-UHFFFAOYSA-N;146.11;-1.74;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_P1";;;;;;;-1.06;;-8.8;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM436339;MM436339;CC1C(C#N)CNN1C=O;NVMQBECGZGESQE-UHFFFAOYSA-N;139.16;-0.51;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP2_SP2";;;;;;;-1.34;;-4.31;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM436340;MM436340;C#CC=C1CNN(C=O)C1;XUKCUVIBQDDFBQ-UHFFFAOYSA-N;136.15;-0.48;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP2_SP2";;;;;;;-1.34;;-4.31;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM436341;MM436341;CCCOC=C(CF)CF;IRLFHALBKTVHLY-UHFFFAOYSA-N;150.17;2.24;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_C5";;;;;;;1.64;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM436342;MM436342;CCC(=O)C1CC1N=CN;PFMNGFRNTIKZIU-UHFFFAOYSA-N;140.19;0.34;;;;;DOPC;MDCG;27;1;"MARTINI bead: Na_SNd";;;;;;;0.87;;-5;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM436343;MM436343;CC=NNC=CC#N;RIHFRQLVIQPMKF-UHFFFAOYSA-N;109.13;0.62;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nd_N0";;;;;;;1.17;;-1.04;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM436344;MM436344;N=Cn1[nH]nc(F)c1=O;XONDHQQXSMLJKJ-UHFFFAOYSA-N;130.08;-0.83;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP1_SP3";;;;;;;-1.93;;-9.04;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM436345;MM436345;C=CC1CON(C=O)C1C;OIQHANUWMIDZJG-UHFFFAOYSA-N;141.17;0.58;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP1_SP1";;;;;;;-0.79;;-3.13;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM436346;MM436346;C#CC=C1CON(C=O)C1;KXCSPXGKVJDCSI-UHFFFAOYSA-N;137.14;-0.05;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP2_SP1";;;;;;;-1.06;;-3.82;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM436347;MM436347;CCC(=COCOC)CC;MJVXYOAHOQGNTP-UHFFFAOYSA-N;144.21;2.31;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1_P2";;;;;;;1.8;;0.4;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM436348;MM436348;C#CC1(C(C)NN=C)CC1;CDCXHBDBBQJDCT-UHFFFAOYSA-N;136.2;0.99;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nd_SC5";;;;;;;1.64;;0.02;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM436349;MM436349;NC=NC1CC1C(=O)CO;ZFYJCYHMVKAHCI-UHFFFAOYSA-N;142.16;-1.08;;;;;DOPC;MDCG;27;1;"MARTINI bead: SNd_P2";;;;;;;-0.24;;-6.25;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM436350;MM436350;C#CC(C)(C)OC(C)=NN;SENHSDMMBOBVGH-UHFFFAOYSA-N;140.19;0.71;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_C4";;;;;;;1.09;;-0.38;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM436351;MM436351;CN1C(C=O)CCN1C=N;ABMCFYPEQMTQIT-UHFFFAOYSA-N;141.17;-0.29;;;;;DOPC;MDCG;27;1;"MARTINI bead: SP3_SP2";;;;;;;-2.2;;-7.49;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM436352;MM436352;CCC(=COCOC)CO;MBTUEFAOBMEHKZ-UHFFFAOYSA-N;146.19;0.89;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_P2";;;;;;;0.54;;-1.09;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM436353;MM436353;C#CC1CCC(=CCC)C1;FRTIBTMYXCGPGP-UHFFFAOYSA-N;134.22;2.76;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC1_SC4";;;;;;;4.24;;0.42;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM436354;MM436354;C#CC1(C(C)OC=C)CC1;MHMCNHLBQHNOIV-UHFFFAOYSA-N;136.19;1.95;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_SC5";;;;;;;2.41;;0.64;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM436355;MM436355;CC#CC1CC(C#N)=NN1;QARVGDGPHLKDCD-UHFFFAOYSA-N;133.15;0.25;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNd_SP1";;;;;;;0.04;;-2.63;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM436356;MM436356;CCC(C)(C)C(=NN)OC;IWCIFROLFNNJKP-UHFFFAOYSA-N;144.22;1.34;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1_P1";;;;;;;2.08;;0.48;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM436357;MM436357;CN1C(C#N)CCN1C=N;YKSXCWGQIZNFEG-UHFFFAOYSA-N;138.17;0.04;;;;;DOPC;MDCG;27;1;"MARTINI bead: SP2_SP2";;;;;;;-1.34;;-6.58;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM436358;MM436358;CCC(=COCOC)CF;LRWWNHYSXIFDLM-UHFFFAOYSA-N;148.18;1.87;;;;;DOPC;MDCG;27;0;"MARTINI bead: C3_P2";;;;;;;1.46;;-0.15;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM436359;MM436359;C#CC1(C(C)OC=O)CC1;CWXDPLQNRYLUGT-UHFFFAOYSA-N;138.17;0.96;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_SC5";;;;;;;1.64;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM436360;MM436360;C#CC1CCC(=CCN)C1;GLZWTXCYDRMRLP-UHFFFAOYSA-N;135.21;1.3;;;;;DOPC;MDCG;27;1;"MARTINI bead: SNd_SC4";;;;;;;2.2;;-1.67;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM436361;MM436361;C=CC(C)(C)C(=NN)OC;ZPGIZIGCUCEVFW-UHFFFAOYSA-N;142.2;1.12;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_C2";;;;;;;2;;0.29;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM436362;MM436362;C=NNC1CC1C(=O)CC;JCXPGQPSHZZCIE-UHFFFAOYSA-N;140.19;0.56;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_SNd";;;;;;;0.87;;-1.88;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM436363;MM436363;CN1C(C#N)CCN1C=O;PRARBRKMRCGJQH-UHFFFAOYSA-N;139.16;-0.41;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP2_SP2";;;;;;;-1.34;;-4.31;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM436364;MM436364;COCOC=C(CN)CN;NBRXALZPVOBTFK-UHFFFAOYSA-N;146.19;-0.59;;;;;DOPC;MDCG;27;1;"MARTINI bead: P2_P5";;;;;;;-2.22;;-8.51;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM436365;MM436365;C#CC1(C(C)ON=C)CC1;HRSYSGCXJKAHGD-UHFFFAOYSA-N;137.18;1.42;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_SC5";;;;;;;1.64;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM436366;MM436366;C#CC1CCC(=CCO)C1;PJOHRYGICHQEFF-UHFFFAOYSA-N;136.19;1.34;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC5_SC4";;;;;;;2.97;;0.45;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM436367;MM436367;Cn1on(O)c(=N)c1=NO;YMYMUEWMFRSOOD-UHFFFAOYSA-N;146.11;-1.57;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP2_SP2";;;;;;;-1.34;;-4.31;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM436368;MM436368;CNC(=N)C1CC1NC=N;OMOFKXLIEYHKFI-UHFFFAOYSA-N;140.19;-0.23;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1_SP1";;;;;;;-0.79;;-8.09;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM436369;MM436369;C#CC1CCC(C=C)C1N;WHEVUVCLISZJOC-UHFFFAOYSA-N;135.21;1.16;;;;;DOPC;MDCG;27;1;"MARTINI bead: SC2_SNd";;;;;;;2.83;;-0.7;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM436370;MM436370;COCOC=C(CF)CF;XSVRERDUSBQCMU-UHFFFAOYSA-N;152.14;1.43;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_C5";;;;;;;0.54;;-1.09;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM436371;MM436371;C#CC1(N(C)NC=N)CC1;COWMWLKDNPSMKG-UHFFFAOYSA-N;137.19;0.2;;;;;DOPC;MDCG;27;1;"MARTINI bead: P4_SC5";;;;;;;-0.41;;-5.41;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM436372;MM436372;C#CC1CC(=CCC)CN1;CFXKCEICOKZNRN-UHFFFAOYSA-N;135.21;1.32;;;;;DOPC;MDCG;27;1;"MARTINI bead: SN0_SNd";;;;;;;1.17;;-2.96;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM436373;MM436373;CN=c1c(=N)n(N)on1N;HEUNMFABXLRXOQ-UHFFFAOYSA-N;144.14;-2.68;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP2_SP3";;;;;;;-2.2;;-5.19;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM436374;MM436374;C=NNC1CC1C(=N)NC;IBQHWNIFKMYLHR-UHFFFAOYSA-N;140.19;-0.22;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1_SNd";;;;;;;0.04;;-7.51;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM436375;MM436375;C#CC1NCC(C=C)C1C;XPMRSGDQIWFSQR-UHFFFAOYSA-N;135.21;1.03;;;;;DOPC;MDCG;27;1;"MARTINI bead: SN0_SNd";;;;;;;1.17;;-3.95;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM436376;MM436376;COC(=COCCN)CN;RRNZMGIWMJDYMA-UHFFFAOYSA-N;146.19;-0.59;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1_P3";;;;;;;-1.93;;-6.81;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM436377;MM436377;C#CC1(N(C)NC=O)CC1;SCUKLXDKYFSPDV-UHFFFAOYSA-N;138.17;-0.26;;;;;DOPC;MDCG;27;0;"MARTINI bead: P4_SC5";;;;;;;-0.41;;-2.78;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM436378;MM436378;C#CC1CC(=CCN)CN1;JQAVISDELIWMKG-UHFFFAOYSA-N;136.2;-0.13;;;;;DOPC;MDCG;27;1;"MARTINI bead: SP2_SNd";;;;;;;-0.24;;-5.55;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM436379;MM436379;C=NNC1CC1C(=N)NN;OMLMLYLQWXZLBT-UHFFFAOYSA-N;141.18;-0.98;;;;;DOPC;MDCG;27;1;"MARTINI bead: P2_SNd";;;;;;;-0.24;;-6.46;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM436380;MM436380;C#CC(C)(F)C(=N)NN=C;IHUBXYNLJJZMFV-UHFFFAOYSA-N;141.15;0.53;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_P2";;;;;;;0.54;;-1.09;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM436381;MM436381;C#CC1NCC(C=C)C1N;QVBGQIHIOVDPEI-UHFFFAOYSA-N;136.2;-0.28;;;;;DOPC;MDCG;27;1;"MARTINI bead: SP2_SNd";;;;;;;-0.24;;-5.55;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM436382;MM436382;COC(=COCCO)CN;ABPFKNUCWMLFSA-UHFFFAOYSA-N;147.17;-0.56;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1_P3";;;;;;;-1.93;;-6.08;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM436383;MM436383;C=C(CC)CC(C)(C)O;WLMYVAJTFSSMAS-UHFFFAOYSA-N;128.22;2.11;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1_Nda";;;;;;;2.91;;0.57;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM436384;MM436384;C#CC1CC(=CCC)CO1;LENDTYKBOMQWIR-UHFFFAOYSA-N;136.19;1.74;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC5_SNa";;;;;;;1.64;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM436385;MM436385;C=CCC=CN=CNN=C;SBOIUWDIHAZPES-UHFFFAOYSA-N;137.19;1.31;;;;;DOPC;MDCG;27;0;"MARTINI bead: C2_P2";;;;;;;1.72;;0.28;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM436386;MM436386;CC(=NN)OC(=O)C(=N)N;OKVYQGGWQWFPCP-UHFFFAOYSA-N;144.13;-1.24;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nd_P3";;;;;;;-1.1;;-3.93;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM436387;MM436387;C#CC1OCC(C#N)C1C;OLHXASNNLMDETI-UHFFFAOYSA-N;135.17;0.79;;;;;DOPC;MDCG;27;0;"MARTINI bead: SN0_SNa";;;;;;;1.17;;-1.18;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM436388;MM436388;C#CC1(C(C)CC#N)CN1;BPUZEIQFBLAXTD-UHFFFAOYSA-N;134.18;0.51;;;;;DOPC;MDCG;27;0;"MARTINI bead: N0_SP3";;;;;;;-0.8;;-2.99;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM436389;MM436389;COC(=COCCF)CN;DLBIYHNTYQECSO-UHFFFAOYSA-N;149.17;0.42;;;;;DOPC;MDCG;27;1;"MARTINI bead: P2_Na";;;;;;;-0.24;;-4.61;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM436390;MM436390;C#CC1CC(=CCN)CO1;SPJDLUMASWDYEU-UHFFFAOYSA-N;137.18;0.29;;;;;DOPC;MDCG;27;1;"MARTINI bead: SP1_SNa";;;;;;;0.04;;-4.77;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM436391;MM436391;C=COC1CC1C(=C)CC;TWNUXMRFNDSAPJ-UHFFFAOYSA-N;138.21;2.5;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1_SNa";;;;;;;2.91;;0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM436392;MM436392;CC(=NN)OC(C)=C(C)C;VTBRQMQQQPFFAX-UHFFFAOYSA-N;142.2;1.61;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1_P2";;;;;;;1.8;;0.4;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM436393;MM436393;C#CC1OCC(C=C)C1N;CGJGOWTZSOHIRC-UHFFFAOYSA-N;137.18;0.15;;;;;DOPC;MDCG;27;1;"MARTINI bead: SP1_SNa";;;;;;;0.04;;-4.45;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM436394;MM436394;CCCOC=C(CO)OC;KPRCVZWBFWXCSC-UHFFFAOYSA-N;146.19;0.89;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_Nda";;;;;;;0.87;;-1.99;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM436395;MM436395;C#CC1(C(C)NC=N)CN1;QAUREJYWTYOVTN-UHFFFAOYSA-N;137.19;-0.45;;;;;DOPC;MDCG;27;1;"MARTINI bead: P2_SP3";;;;;;;-2.2;;-8.59;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM436396;MM436396;C#CC1CNC(=NCC)C1;GJSDNASPJDSFNM-UHFFFAOYSA-N;136.2;0.65;;;;;DOPC;MDCG;27;1;"MARTINI bead: SC5_SP1";;;;;;;0.81;;-4.05;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM436397;MM436397;C=COC1CC1C(=C)CO;HWKQHURHDURAFF-UHFFFAOYSA-N;140.18;1.08;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda_SNa";;;;;;;0.87;;-1.99;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM436398;MM436398;N=c1c(=NO)n(N)on1O;COEKZFSSSGDMOM-UHFFFAOYSA-N;147.09;-2.4;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP2_SP2";;;;;;;-1.34;;-4.31;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM436399;MM436399;C#CC1CNC(C=O)C1C;FYSKFTAFIHTJNV-UHFFFAOYSA-N;137.18;0.04;;;;;DOPC;MDCG;27;1;"MARTINI bead: SP1_SP1";;;;;;;-0.79;;-4.86;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM436400;MM436400;COC(=COCCN)CO;IZQIATNMCIGEHL-UHFFFAOYSA-N;147.17;-0.56;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nda_P3";;;;;;;-1.1;;-5.98;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM436401;MM436401;C#CC1CC(=NCC)NN1;OMSPANRBLXSQHS-UHFFFAOYSA-N;137.19;-0.1;;;;;DOPC;MDCG;27;1;"MARTINI bead: SP2_SP2";;;;;;;-1.34;;-6.26;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM436402;MM436402;CC=C(C)CC(C)(C)O;RWUMCLLSNDYYMY-UHFFFAOYSA-N;128.22;2.11;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1_Nda";;;;;;;2.91;;0.57;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM436403;MM436403;C=COC1CC1C(=O)CC;PGIJZSOPLUSIIS-UHFFFAOYSA-N;140.18;1.51;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_SNa";;;;;;;0.87;;-2.22;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM436404;MM436404;CC(=NN)OC(C)=C(C)F;XCQJWLIMQNJADT-UHFFFAOYSA-N;146.17;1.52;;;;;DOPC;MDCG;27;0;"MARTINI bead: C3_P2";;;;;;;1.46;;-0.15;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM436405;MM436405;COC(=COCCF)CO;DHIVNNUSRLGTEV-UHFFFAOYSA-N;150.15;0.45;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_Na";;;;;;;0.04;;-2.54;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM436406;MM436406;C#CC1CNC(C=C)C1N;ZQNOTOIYCBGLPT-UHFFFAOYSA-N;136.2;-0.28;;;;;DOPC;MDCG;27;1;"MARTINI bead: SP2_SNd";;;;;;;-0.24;;-5.61;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM436407;MM436407;C#CC1(C(C)NN=C)CN1;CBFQMTZBZRABSV-UHFFFAOYSA-N;137.19;-0.44;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nd_SP3";;;;;;;-1.1;;-3.93;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM436408;MM436408;C#CC1COC(=CCC)C1;OPHLXGHGDYRCER-UHFFFAOYSA-N;136.19;1.95;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC5_SN0";;;;;;;1.94;;0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM436409;MM436409;C=CC#CC=NNC=NC;MNYWYNMSGGXBGH-UHFFFAOYSA-N;135.17;0.41;;;;;DOPC;MDCG;27;0;"MARTINI bead: N0_Nd";;;;;;;1.17;;-1.04;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM436410;MM436410;CC(=NN)OC(C)=C(F)F;RAXFUSQUKLSTED-UHFFFAOYSA-N;150.13;1.42;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_C4";;;;;;;1.09;;-0.38;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM436411;MM436411;CCCOC=C(CF)OC;MFQWDQPOHUPTKN-UHFFFAOYSA-N;148.18;1.87;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_C5";;;;;;;1.64;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM436412;MM436412;C#CC1CNC(C=C)C1O;ODBGHHMACRQQAT-UHFFFAOYSA-N;137.18;-0.25;;;;;DOPC;MDCG;27;1;"MARTINI bead: SP2_SNd";;;;;;;-0.24;;-5.29;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM436413;MM436413;C#CC1(C(C)OC=C)CN1;DBOZPAWFMVKUCE-UHFFFAOYSA-N;137.18;0.51;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_SP3";;;;;;;-0.33;;-2.01;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM436414;MM436414;C#CC1COC(=CCN)C1;AVMGWIQHANATFY-UHFFFAOYSA-N;137.18;0.5;;;;;DOPC;MDCG;27;1;"MARTINI bead: SP1_SN0";;;;;;;0.34;;-3.71;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM436415;MM436415;C=NOC1CC1C(=C)CF;PEYKZKZXUNXICK-UHFFFAOYSA-N;143.16;1.53;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4_SNa";;;;;;;2.2;;0.34;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM436416;MM436416;CCCC1CCC(C)(O)C1;ACCZNWKFANJFSD-UHFFFAOYSA-N;142.24;2.34;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC1_SNda";;;;;;;2.91;;0.57;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM436417;MM436417;COC(=COCCF)CF;ASGNDJSPGOLUSB-UHFFFAOYSA-N;152.14;1.43;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_P2";;;;;;;0.54;;-1.09;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM436418;MM436418;C#CC1CCN(C=N)C1C;FACDAEYODVJRQT-UHFFFAOYSA-N;136.2;0.94;;;;;DOPC;MDCG;27;1;"MARTINI bead: SP1_SNd";;;;;;;0.04;;-6.31;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM436419;MM436419;C#CC1(C(C)NC=N)CO1;QLXREDALIGYZCX-UHFFFAOYSA-N;138.17;-0.03;;;;;DOPC;MDCG;27;1;"MARTINI bead: P2_SNa";;;;;;;-0.24;;-6.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM436420;MM436420;C#CC1CCC(=NCC)N1;QYNILELVDRZWFX-UHFFFAOYSA-N;136.2;0.79;;;;;DOPC;MDCG;27;1;"MARTINI bead: SC5_SP1";;;;;;;0.81;;-2.79;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM436421;MM436421;C=CN=CNN=C;KEFNYTVKMOWCOF-UHFFFAOYSA-N;97.12;0.36;;;;;DOPC;MDCG;27;0;"MARTINI bead: N0_P1";;;;;;;0.34;;-1.53;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM436422;MM436422;CC1OC(=NN)CC1(C)C;FZUOQOBYVYQOHY-UHFFFAOYSA-N;142.2;1.09;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNda_SC5";;;;;;;1.64;;0.05;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM436423;MM436423;COCOC=C(CF)OC;DWSDHPVXDSFQAI-UHFFFAOYSA-N;150.15;1.06;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_C5";;;;;;;0.54;;-1.09;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM436424;MM436424;C#CC1CCN(N=C)C1C;NXJFRBSUWQAGHK-UHFFFAOYSA-N;136.2;0.95;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP1_SN0";;;;;;;0.34;;-1.53;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM436425;MM436425;C#CC1(C(C)NC=O)CO1;JBHRYDHNEUKCFG-UHFFFAOYSA-N;139.15;-0.48;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_SNa";;;;;;;0.04;;-2.54;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM436426;MM436426;C=COC1CC1C(=N)NC;WOVUJQWIQYCWBA-UHFFFAOYSA-N;140.19;0.73;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1_SNa";;;;;;;0.04;;-7.2;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM436427;MM436427;C#CC1CCC(=CCC)O1;XVUJGDCXADOIFB-UHFFFAOYSA-N;136.19;2.09;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC5_SN0";;;;;;;1.94;;0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM436428;MM436428;CC1CC(=NN)OC1(C)C;VXZZEHWQHOTEOP-UHFFFAOYSA-N;142.2;1.09;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNda_SC5";;;;;;;1.64;;0.05;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM436429;MM436429;C=CC(=NNC)ON=C;CXDTUXWOIGIKIC-UHFFFAOYSA-N;127.15;0.34;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_N0";;;;;;;0.34;;-1.53;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM436430;MM436430;C#CC1CNN(C=N)C1C;QSFIGLRXXVOUIQ-UHFFFAOYSA-N;137.19;0.05;;;;;DOPC;MDCG;27;1;"MARTINI bead: SP2_SP2";;;;;;;-1.34;;-6.27;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM436431;MM436431;C#CC1(C(C)OC=C)CO1;QPMZFTPSHHNAIV-UHFFFAOYSA-N;138.17;0.94;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_SNa";;;;;;;1.64;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM436432;MM436432;C#CC1CCC(=CCN)O1;MJRIZAJQZNXJNW-UHFFFAOYSA-N;137.18;0.64;;;;;DOPC;MDCG;27;1;"MARTINI bead: SP1_SN0";;;;;;;0.34;;-3.71;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM436433;MM436433;C=COC1CC1C(=N)NN;MCIMNZJVIZGMQI-UHFFFAOYSA-N;141.17;-0.02;;;;;DOPC;MDCG;27;1;"MARTINI bead: P2_SNa";;;;;;;-0.24;;-6.28;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM436434;MM436434;OCC(=NO)NCCCF;LTODLGHDOYGFCW-UHFFFAOYSA-N;150.15;-0.28;;;;;DOPC;MDCG;27;0;"MARTINI bead: P3_C5";;;;;;;-0.33;;-2.01;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM436435;MM436435;CN=c1c(=O)n(C)on1C;FTUNLPMEXQJSMC-UHFFFAOYSA-N;143.15;-1.15;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP1_SP2";;;;;;;-1.06;;-3.82;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM436436;MM436436;C#CC1CCC(C#C)C1N;DSNIHFFHJQCQRK-UHFFFAOYSA-N;133.19;0.61;;;;;DOPC;MDCG;27;1;"MARTINI bead: SNd_SC4";;;;;;;2.2;;-1.88;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM436437;MM436437;C#CC1(C(C)ON=C)CO1;YWXKNIOFVPNTOX-UHFFFAOYSA-N;139.15;0.41;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_SNa";;;;;;;0.87;;-2.22;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM436438;MM436438;C=NOC1CC1C(=N)NC;DBBBGZUWRDKMRG-UHFFFAOYSA-N;141.17;0.2;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1_SNa";;;;;;;0.04;;-7.16;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM436439;MM436439;CN=C(CO)NCCOC;UOJFNVZKMOGVBO-UHFFFAOYSA-N;146.19;-0.76;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1_P1";;;;;;;-0.79;;-5.77;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM436440;MM436440;C=C1OC(=NN)CC1(C)C;RDSACZXKJNUFGA-UHFFFAOYSA-N;140.19;1.22;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC4_SNda";;;;;;;2.2;;0.49;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM436441;MM436441;C#CC1OCC(=CCC)O1;WZIQMEDKPIQQMR-UHFFFAOYSA-N;138.17;1.29;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNa_SP1";;;;;;;0.04;;-2.54;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM436442;MM436442;C=C1C(CC)CCC1CN;ODUAEXDCUJQORH-UHFFFAOYSA-N;139.24;1.94;;;;;DOPC;MDCG;27;1;"MARTINI bead: SC1_SC5";;;;;;;3.68;;0.56;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM436443;MM436443;C#CCC(C)C1(C#C)CC1;IUQDIFLEURJJQH-UHFFFAOYSA-N;132.21;2.06;;;;;DOPC;MDCG;27;0;"MARTINI bead: C3_SC5";;;;;;;3.34;;0.48;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM436444;MM436444;C#CCN1CC(=O)C1;UAVVRTGJDGBOCA-UHFFFAOYSA-N;109.13;-0.5;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP3_SNd";;;;;;;-1.1;;-3.93;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM436445;MM436445;C#CC1CCC(=CC=C)C1;GKNVLJWSQHQRGQ-UHFFFAOYSA-N;132.21;2.53;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC2_SC4";;;;;;;4.16;;0.44;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM436446;MM436446;CNC(=NCCCN)NC;ADWGLBVBAMKCPD-UHFFFAOYSA-N;144.22;-0.87;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1_P1";;;;;;;-0.79;;-8.17;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM436447;MM436447;CN=c1c(=O)n(N)on1C;UNZCVSLTSFCBQP-UHFFFAOYSA-N;144.13;-1.98;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP1_SP3";;;;;;;-1.93;;-4.72;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM436448;MM436448;N#CCCC1NC1C=O;AKMPXNCFVORIIE-UHFFFAOYSA-N;124.14;-0.17;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP2_P1";;;;;;;-1.06;;-3.82;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM436449;MM436449;C#CCC(C)C1(C#C)CN1;QYUYRLIOSNKSDL-UHFFFAOYSA-N;133.19;0.62;;;;;DOPC;MDCG;27;0;"MARTINI bead: C3_SP3";;;;;;;0.6;;-0.8;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM436450;MM436450;C#CC1CCC(=CC=O)C1;UVLGJHDYDVZXMO-UHFFFAOYSA-N;134.18;1.55;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC5_SC4";;;;;;;2.97;;0.45;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM436451;MM436451;C=COC1CC1C(=C)OC;WQYWWDPWDNXPPJ-UHFFFAOYSA-N;140.18;1.7;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_SNa";;;;;;;1.64;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM436452;MM436452;CNC(=NCCCO)NN;MGLYXWANQQSSOG-UHFFFAOYSA-N;146.19;-1.59;;;;;DOPC;MDCG;27;1;"MARTINI bead: P3_Nda";;;;;;;-1.1;;-7.73;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM436453;MM436453;C=C1CC(=NN)OC1(C)C;FJOZDXORSNIDHR-UHFFFAOYSA-N;140.19;1.01;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC5_SNda";;;;;;;1.64;;0.05;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM436454;MM436454;C=C(CC)CC(O)C(C)C;FNPWWGVZYWBQCI-UHFFFAOYSA-N;142.24;2.36;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1_Nda";;;;;;;2.91;;0.57;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM436455;MM436455;C#CCC(N)C1(C#C)CN1;LBWSDTYPCDTUHE-UHFFFAOYSA-N;134.18;-0.69;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_SP3";;;;;;;-1.1;;-5.5;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM436456;MM436456;C#CC1CCC(=CC#N)C1;OFRJCNCFDBNITQ-UHFFFAOYSA-N;131.18;1.87;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC4_SC5";;;;;;;2.97;;0.45;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM436457;MM436457;C=NOC1CC1C(=C)OC;CIHSMKCHABQRIU-UHFFFAOYSA-N;141.17;1.17;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_SNa";;;;;;;1.64;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM436458;MM436458;CCCCN=C(NC)NO;RUBJZPLONPEIKH-UHFFFAOYSA-N;145.21;0.34;;;;;DOPC;MDCG;27;1;"MARTINI bead: C1_P3";;;;;;;0.94;;-2.79;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM436459;MM436459;C=C1C(CC)CCC1OC;NWDVZJGNOPNLPL-UHFFFAOYSA-N;140.23;2.38;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC1_SC5";;;;;;;3.68;;0.46;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM436460;MM436460;Cn1oc(O)nc(=O)c1=N;KOYWBXVCTBCNMF-UHFFFAOYSA-N;143.1;-1.44;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP3_SP3";;;;;;;-3.07;;-10.26;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM436461;MM436461;C#CCC(C)C1(C#C)CO1;GFBHFXFEWWXPIC-UHFFFAOYSA-N;134.18;1.05;;;;;DOPC;MDCG;27;0;"MARTINI bead: N0_SNa";;;;;;;1.17;;-1.18;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM436462;MM436462;C#CC1CCC(=NN=C)C1;JVMSNPQSALDWTN-UHFFFAOYSA-N;134.18;1.48;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC5_SC4";;;;;;;2.97;;0.45;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM436463;MM436463;CN=c1nn[nH]c(=NN)o1;IUIGTECCSHQSPH-UHFFFAOYSA-N;142.12;-2.3;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP2_SP3";;;;;;;-2.2;;-9.58;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM436464;MM436464;C=NOC1CC1C(=O)OC;CTFDFVLBYDKSGG-UHFFFAOYSA-N;143.14;0.18;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_SNa";;;;;;;0.87;;-2.22;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM436465;MM436465;C=C1C(OC)CCC1OC;AJTOBHMWSFTQNQ-UHFFFAOYSA-N;142.2;1.37;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC5_SC5";;;;;;;2.41;;0.64;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM436466;MM436466;CNC(=NCCCO)NO;PIGFGDFTGZWGHT-UHFFFAOYSA-N;147.18;-1.08;;;;;DOPC;MDCG;27;1;"MARTINI bead: P3_Nda";;;;;;;-1.1;;-6.61;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM436467;MM436467;C=C(CCC)C1(CN)CC1;ZALOAIQXNOVGPH-UHFFFAOYSA-N;139.24;2.08;;;;;DOPC;MDCG;27;1;"MARTINI bead: C3_SNd";;;;;;;2.57;;-1.17;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM436468;MM436468;C#CC1CC(=CC=C)CN1;WWVBGGORQBBZMM-UHFFFAOYSA-N;133.19;1.09;;;;;DOPC;MDCG;27;1;"MARTINI bead: SN0_SNd";;;;;;;1.17;;-2.99;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM436469;MM436469;C=C1C(=N)NN=C1C;NZEKPZNMPFDKCL-UHFFFAOYSA-N;109.13;0.5;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP1_SP1";;;;;;;-0.79;;-3.13;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM436470;MM436470;NNC(=NCCCO)NN;ZXQAWGXHELDKNM-UHFFFAOYSA-N;147.18;-2.35;;;;;DOPC;MDCG;27;1;"MARTINI bead: P4_Nda";;;;;;;-1.19;;-7.82;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM436471;MM436471;C=C1C(CC)CNC1CC;VEVODFKHUNTOAK-UHFFFAOYSA-N;139.24;1.95;;;;;DOPC;MDCG;27;1;"MARTINI bead: SN0_SNd";;;;;;;1.17;;-4.42;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM436472;MM436472;CC(=NN)C(=NN)C(=O)O;ZBVSEIOYZHCMMD-UHFFFAOYSA-N;144.13;-1.28;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_P1";;;;;;;-0.79;;-8.39;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM436473;MM436473;C=C(COC)C1(CC)CC1;VNQQNMKVSGSOOF-UHFFFAOYSA-N;140.23;2.38;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC3_Na";;;;;;;2.57;;0.45;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM436474;MM436474;C=CCC1NC1C(=N)NC;JSPFFFFPJQCIJF-UHFFFAOYSA-N;139.2;0.1;;;;;DOPC;MDCG;27;1;"MARTINI bead: P3_SNd";;;;;;;-1.1;;-7.49;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM436475;MM436475;C#CC1CC(=CC=O)CN1;FIYPZRIBVDSNLL-UHFFFAOYSA-N;135.17;0.11;;;;;DOPC;MDCG;27;1;"MARTINI bead: SP1_SNd";;;;;;;0.04;;-4.28;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM436476;MM436476;NNC(=NCCCO)NO;GQJLRMUKNNAUQI-UHFFFAOYSA-N;148.17;-1.83;;;;;DOPC;MDCG;27;1;"MARTINI bead: P4_Nda";;;;;;;-1.19;;-6.79;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM436477;MM436477;C=C1C(CC)CNC1CN;GQBIEJNGGASSKK-UHFFFAOYSA-N;140.23;0.5;;;;;DOPC;MDCG;27;1;"MARTINI bead: SN0_SP1";;;;;;;0.34;;-4.38;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM436478;MM436478;CN=c1c(=O)n(C)on1N;YVJIDYMVVXFCTR-UHFFFAOYSA-N;144.13;-1.98;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP2_SP2";;;;;;;-1.34;;-4.31;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM436479;MM436479;C=C(COC)C1(CN)CC1;FPBURVWKOFJFLB-UHFFFAOYSA-N;141.21;0.93;;;;;DOPC;MDCG;27;1;"MARTINI bead: Na_SNd";;;;;;;0.87;;-4.33;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM436480;MM436480;C=CCC1NC1C(=N)NN;CAMZDFOCIIWISS-UHFFFAOYSA-N;140.19;-0.66;;;;;DOPC;MDCG;27;1;"MARTINI bead: P4_SNd";;;;;;;-1.19;;-6.83;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM436481;MM436481;C#CC1CC(=CC=C)CO1;QAHNJGGJHVKJPM-UHFFFAOYSA-N;134.18;1.52;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC5_SNa";;;;;;;1.64;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM436482;MM436482;C=C1C(CN)CNC1CC;DJFRINVSZZKZNT-UHFFFAOYSA-N;140.23;0.5;;;;;DOPC;MDCG;27;1;"MARTINI bead: SNd_SP2";;;;;;;-0.24;;-6.25;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM436483;MM436483;NCCCN=C(NO)NO;GQMRBLGSJYURRK-UHFFFAOYSA-N;148.17;-1.35;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_P4";;;;;;;-1.19;;-6.97;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM436484;MM436484;CN=c1c(=O)n(N)on1N;LPNRKEMFDPGZDR-UHFFFAOYSA-N;145.12;-2.8;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP2_SP3";;;;;;;-2.2;;-5.19;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM436485;MM436485;CC=CC(O)C(C)(C)C;LWNCLPPCYNKNEP-UHFFFAOYSA-N;128.22;1.97;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda_C3";;;;;;;2.57;;0.44;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM436486;MM436486;C=CCN=CNN=C;QNVJQVGACCICNE-UHFFFAOYSA-N;111.15;0.41;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_P1";;;;;;;0.81;;-0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM436487;MM436487;C=C1C(NC)CNC1CC;YXHJIXZFQPDOTE-UHFFFAOYSA-N;140.23;0.51;;;;;DOPC;MDCG;27;1;"MARTINI bead: SNd_SP2";;;;;;;-0.24;;-5.55;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM436488;MM436488;CNCCN=C(NC)NC;WGAKDFGRUQZHRC-UHFFFAOYSA-N;144.22;-1;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1_P1";;;;;;;-0.79;;-8.07;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM436489;MM436489;C#CC1CC(=CC=O)CO1;OXZKPQJXMPQTOZ-UHFFFAOYSA-N;136.15;0.53;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNa_SNa";;;;;;;0.87;;-2.22;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM436490;MM436490;CC1=CC(=NN)OC1(C)C;PFWZACURGGYKIW-UHFFFAOYSA-N;140.19;1.01;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNda_SC5";;;;;;;1.64;;0.05;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM436491;MM436491;CCNC(=O)C1(CN)CC1;OJYOGLZJEIVGTI-UHFFFAOYSA-N;142.2;-0.14;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1_SNd";;;;;;;0.04;;-4.39;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM436492;MM436492;C=C(C(C)=O)C1CN1;AJZZKSRLLPARKB-UHFFFAOYSA-N;111.14;0.1;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_SP2";;;;;;;-0.24;;-3.24;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM436493;MM436493;C=C1C(CN)NCC1OC;INRYIMLFCUKSIW-UHFFFAOYSA-N;142.2;-0.51;;;;;DOPC;MDCG;27;1;"MARTINI bead: SP1_SP1";;;;;;;-0.79;;-5.34;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM436494;MM436494;CNCCN=C(NC)NN;BAXSJNVYTXEWJV-UHFFFAOYSA-N;145.21;-1.76;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_P3";;;;;;;-1.1;;-7.94;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM436495;MM436495;C#CC1CC(=CC#N)CO1;WPGOPNQWIUBHRC-UHFFFAOYSA-N;133.15;0.86;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNa_SN0";;;;;;;1.17;;-1.18;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM436496;MM436496;O=c1cc(O)oc(=O)nn1;RRJUGVSWHHTURV-UHFFFAOYSA-N;142.07;-1.5;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP3_SP2";;;;;;;-2.2;;-9.58;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM436497;MM436497;CCNC(=O)C1(CO)CC1;FZGXMXVGBAELQU-UHFFFAOYSA-N;143.19;-0.11;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_SNda";;;;;;;0.04;;-2.73;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM436498;MM436498;C=CCC1NC1C(=C)OC;UHEQHZVMOFBJJO-UHFFFAOYSA-N;139.2;1.06;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_SNd";;;;;;;0.87;;-1.88;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM436499;MM436499;CNCCN=C(NC)NO;ORGGIZOXUHXEJW-UHFFFAOYSA-N;146.19;-1.24;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_P3";;;;;;;-1.1;;-6.81;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM436500;MM436500;C=C1C(CC)COC1CN;CZVLAVVLJJKUTJ-UHFFFAOYSA-N;141.21;0.93;;;;;DOPC;MDCG;27;1;"MARTINI bead: SC5_SP1";;;;;;;0.81;;-2.51;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM436501;MM436501;C#CC1CNC(=CC=O)C1;LPPURMCDPUPIJV-UHFFFAOYSA-N;135.17;0.31;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNda_SP1";;;;;;;0.04;;-2.73;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM436502;MM436502;CCC1(C(=N)NNC)CC1;CFCRCHLPWBRGCM-UHFFFAOYSA-N;141.22;0.88;;;;;DOPC;MDCG;27;1;"MARTINI bead: SC3_P4";;;;;;;0.52;;-4.72;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM436503;MM436503;O=CCC#CC#CC(=O)O;KHWJELQZFQYZGC-UHFFFAOYSA-N;136.11;-0.33;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_C5";;;;;;;0.81;;-5.68;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM436504;MM436504;C=CC1CCC(CC)C1=C;CACRVKAMWWGFAE-UHFFFAOYSA-N;136.24;3.16;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC1_SC3";;;;;;;4.61;;0.31;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM436505;MM436505;CNCCN=C(NN)NN;ODSYOTNIOYKLSQ-UHFFFAOYSA-N;146.2;-2.51;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_P4";;;;;;;-1.19;;-8.04;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM436506;MM436506;C=CCC1OC1C(=C)CC;LXRYUKGLJPKMSG-UHFFFAOYSA-N;138.21;2.3;;;;;DOPC;MDCG;27;0;"MARTINI bead: C3_SNa";;;;;;;2.57;;0.45;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM436507;MM436507;C#CC1CNC(=CC#N)C1;UAAVCFOGLQNFKB-UHFFFAOYSA-N;132.17;0.64;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP1_SNd";;;;;;;0.04;;-2.63;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM436508;MM436508;C=C1C=C(C)C(C)(O)C1;FEKFILCFRNUQHP-UHFFFAOYSA-N;124.18;1.64;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC4_SC5";;;;;;;2.97;;0.45;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM436509;MM436509;C=C1C(C=O)CCC1CC;FXKGMBRZDRWBLX-UHFFFAOYSA-N;138.21;2.18;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC1_SNa";;;;;;;2.91;;0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM436510;MM436510;CC=CN(C)C=NC(C)=O;VUMFVSPYLVPSSA-UHFFFAOYSA-N;140.19;1.03;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nd_Na";;;;;;;0.87;;-1.88;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM436511;MM436511;CNCCN=C(NN)NO;GUWRYXMRTIPRJT-UHFFFAOYSA-N;147.18;-2;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_P4";;;;;;;-1.19;;-7.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM436512;MM436512;C=C(CC)C1OC1CC#N;BWJMLMSUQKHVBL-UHFFFAOYSA-N;137.18;1.63;;;;;DOPC;MDCG;27;0;"MARTINI bead: C3_SNa";;;;;;;2.57;;0.45;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM436513;MM436513;C#CC1CN=C(NC=N)C1;YCNJBIIQXHUACU-UHFFFAOYSA-N;135.17;0.23;;;;;DOPC;MDCG;27;1;"MARTINI bead: SNd_SN0";;;;;;;1.17;;-2.79;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM436514;MM436514;CCC1(C(=O)NOC)CC1;HUGZFCXGMSSEJV-UHFFFAOYSA-N;143.19;0.85;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC3_P2";;;;;;;1.46;;-0.14;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM436515;MM436515;C=C1C(C#N)CCC1CC;VHEJDXFVHJSFEX-UHFFFAOYSA-N;135.21;2.5;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC1_SC5";;;;;;;3.68;;0.46;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM436516;MM436516;CNCCN=C(NO)NO;CZRYQHNBUNLZSN-UHFFFAOYSA-N;148.17;-1.48;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_P4";;;;;;;-1.19;;-6.39;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM436517;MM436517;C=C(C)OCOC(C)=NN;YHZLRJLCFNPNBR-UHFFFAOYSA-N;144.17;0.8;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_Nda";;;;;;;0.87;;-1.99;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM436518;MM436518;C=CCC1OC1C(=C)CN;WRBKWCGXJBWOIA-UHFFFAOYSA-N;139.2;0.84;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1_SNa";;;;;;;0.04;;-4.71;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM436519;MM436519;C#CC1CC(NC=N)=NN1;NJEBLRKWZCTQGJ-UHFFFAOYSA-N;136.16;-0.51;;;;;DOPC;MDCG;27;1;"MARTINI bead: SP2_SP1";;;;;;;-1.06;;-4.93;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM436520;MM436520;C=CC1CCC(CN)C1=C;PLARAHDQEHPTHH-UHFFFAOYSA-N;137.23;1.71;;;;;DOPC;MDCG;27;1;"MARTINI bead: SC5_SC3";;;;;;;3.34;;0.35;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM436521;MM436521;C=C(COC)C1(NC)CC1;JGIVTGDXPXUBPI-UHFFFAOYSA-N;141.21;0.94;;;;;DOPC;MDCG;27;1;"MARTINI bead: SNd_Na";;;;;;;0.87;;-3.87;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM436522;MM436522;Cn1[nH]c(F)c(O)c1=O;KPYWZKXAEIGMEZ-UHFFFAOYSA-N;132.09;-0.44;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP3_SNda";;;;;;;-1.1;;-8.43;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM436523;MM436523;COCCN=C(NN)NN;OOUZHPQYHGTLQM-UHFFFAOYSA-N;147.18;-2.08;;;;;DOPC;MDCG;27;1;"MARTINI bead: Na_P4";;;;;;;-1.19;;-7.86;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM436524;MM436524;C=CCC1OC1C(=C)CO;IWUDHZHKBOUEAM-UHFFFAOYSA-N;140.18;0.88;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda_SNa";;;;;;;0.87;;-1.99;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM436525;MM436525;C#CC1COC(=CC=C)C1;BZEOBFHCUZPFGI-UHFFFAOYSA-N;134.18;1.73;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC5_SN0";;;;;;;1.94;;0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM436526;MM436526;C=CC1CCC(NC)C1=C;IJPQWBFIMIUQCK-UHFFFAOYSA-N;137.23;1.73;;;;;DOPC;MDCG;27;1;"MARTINI bead: SNd_SC2";;;;;;;2.83;;-0.55;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM436527;MM436527;CCNC(=O)C1(NC)CC1;USEBWWDWZRGMPY-UHFFFAOYSA-N;142.2;-0.13;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1_SNd";;;;;;;0.04;;-3.83;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM436528;MM436528;N=c1nc(N)c(=O)c1=NO;DXELDXYKFAJOHS-UHFFFAOYSA-N;140.1;-2.33;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP3_SP2";;;;;;;-2.2;;-5.19;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM436529;MM436529;COCCN=C(NN)NO;WEKRFDHZDDSVGO-UHFFFAOYSA-N;148.17;-1.57;;;;;DOPC;MDCG;27;1;"MARTINI bead: Na_P4";;;;;;;-1.19;;-6.68;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM436530;MM436530;C=C(CO)C1OC1CC#N;DSVBYSCUQCHTCA-UHFFFAOYSA-N;139.15;0.22;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda_SNa";;;;;;;0.87;;-1.99;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM436531;MM436531;C#CC1COC(=CC#N)C1;CSHIBLDHRVBLKW-UHFFFAOYSA-N;133.15;1.06;;;;;DOPC;MDCG;27;0;"MARTINI bead: SN0_SNa";;;;;;;1.17;;-1.18;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM436532;MM436532;C=C1C(C#N)CCC1NC;YZTLNUYPJGNUPQ-UHFFFAOYSA-N;136.2;1.06;;;;;DOPC;MDCG;27;1;"MARTINI bead: SNd_SC5";;;;;;;1.64;;-1.48;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM436533;MM436533;C=C(OCC)C1(NC)CC1;FRUDNLGOYDJNMK-UHFFFAOYSA-N;141.21;1.29;;;;;DOPC;MDCG;27;1;"MARTINI bead: C5_SNd";;;;;;;1.64;;-1.2;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM436534;MM436534;N=c1[nH]c(=O)c(=O)c1=NO;PPUHLGOKMNIPMS-UHFFFAOYSA-N;141.09;-2.62;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP2_SP2";;;;;;;-1.34;;-4.31;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM436535;MM436535;CCCCN=C(NC)OC;QFEUGIJCBFZZRP-UHFFFAOYSA-N;144.22;1.01;;;;;DOPC;MDCG;27;1;"MARTINI bead: C1_P1";;;;;;;2.08;;0.26;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM436536;MM436536;C=CCC1OC1C(=O)CC;HZHHXCILNZFTDR-UHFFFAOYSA-N;140.18;1.31;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_SNa";;;;;;;0.87;;-2.22;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM436537;MM436537;C#CC1CCC(=CC=O)N1;XSLQXIVUDBDEIO-UHFFFAOYSA-N;135.17;0.45;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNda_SP1";;;;;;;0.04;;-2.73;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM436538;MM436538;C=C1C(C=O)CCC1OC;FJMIMUPIUMDFIB-UHFFFAOYSA-N;140.18;1.17;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC5_SNa";;;;;;;1.64;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM436539;MM436539;C=C(CNC)C1(CC)CN1;VSQQLIAFERILLW-UHFFFAOYSA-N;140.23;0.51;;;;;DOPC;MDCG;27;1;"MARTINI bead: SNd_P1";;;;;;;0.04;;-4.71;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM436540;MM436540;C=c1oc(=C)c(=CC)c1=C;YKCDJLCOLDEDGI-UHFFFAOYSA-N;134.18;-0.69;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC4_SC5";;;;;;;2.97;;0.45;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM436541;MM436541;CCC(=O)C1OC1CC=O;UWZUAXAPNWXRBT-UHFFFAOYSA-N;142.15;0.32;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_SP1";;;;;;;0.04;;-2.54;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM436542;MM436542;C#CC1CCC(=CC#N)N1;FHSNLUISFHXEJG-UHFFFAOYSA-N;132.17;0.78;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP1_SNd";;;;;;;0.04;;-2.63;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM436543;MM436543;COC(=NCCCN)NO;WECHSVKKHXYPCI-UHFFFAOYSA-N;147.18;-0.68;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1_P1";;;;;;;-0.79;;-5.28;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM436544;MM436544;CCC1NC(C)(C)C1=O;XKMLKVRIWFGEBH-UHFFFAOYSA-N;127.19;0.72;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNd_SP1";;;;;;;0.04;;-2.63;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM436545;MM436545;C=CC1OCC(CC)C1=C;GXKPILKDJBIUIZ-UHFFFAOYSA-N;138.21;2.15;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC5_SNa";;;;;;;1.64;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM436546;MM436546;C=c1oc(=C)c(=CF)c1=C;UDULGYROJXEHLZ-UHFFFAOYSA-N;138.14;-0.78;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNa_SC5";;;;;;;1.64;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM436547;MM436547;CCC(=O)C1OC1CC#N;ZQVPVGMWZOSYMY-UHFFFAOYSA-N;139.15;0.65;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_SNa";;;;;;;0.87;;-2.22;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM436548;MM436548;C#CC1CCC(NC=N)=N1;UGLCENLIRPHXOB-UHFFFAOYSA-N;135.17;0.38;;;;;DOPC;MDCG;27;1;"MARTINI bead: SNd_SN0";;;;;;;1.17;;-2.59;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM436549;MM436549;CC1=CC(=O)N(N)CC1;AHIRGLXOHBTOPO-UHFFFAOYSA-N;126.16;0.04;;;;;DOPC;MDCG;27;0;"MARTINI bead: SN0_SP1";;;;;;;0.34;;-1.53;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM436550;MM436550;C=C(OCC)C1(CC)CN1;ZYXXDXWKCHOKLA-UHFFFAOYSA-N;141.21;1.29;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_SNd";;;;;;;1.64;;0.03;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM436551;MM436551;C=C1C(CC)COC1C=O;JPSUTDLMOBTBPO-UHFFFAOYSA-N;140.18;1.17;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC5_SP1";;;;;;;0.81;;-0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM436552;MM436552;O=c1oc(=O)c(=NO)c1=O;UCDDNFVKXXUEGY-UHFFFAOYSA-N;143.05;-2.47;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP2_SP1";;;;;;;-1.06;;-3.82;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM436553;MM436553;C=CCC1OC1C(=O)CF;HMZHWDLZHAOWLD-UHFFFAOYSA-N;144.15;0.87;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_SNa";;;;;;;-0.24;;-3.24;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM436554;MM436554;CNCCN=C(NO)OC;HRCJSVHULNMCOK-UHFFFAOYSA-N;147.18;-0.81;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1_P1";;;;;;;-0.79;;-4.59;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM436555;MM436555;C#CC1CNC(=CC=O)N1;KLGMWTYQKWTHFX-UHFFFAOYSA-N;136.15;-0.78;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP1_SP3";;;;;;;-1.93;;-4.72;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM436556;MM436556;C=C(CCC)C1(CC)CO1;HWIYEPAOPALKGQ-UHFFFAOYSA-N;140.23;2.52;;;;;DOPC;MDCG;27;0;"MARTINI bead: C3_SNa";;;;;;;2.57;;0.45;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM436557;MM436557;C=CC1CNC(CN)C1=C;KCAGDWOHRGKGIG-UHFFFAOYSA-N;138.21;0.28;;;;;DOPC;MDCG;27;1;"MARTINI bead: SP1_SN0";;;;;;;0.34;;-4.3;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM436558;MM436558;CN=c1n(C)cc(C)n1C;JXPJZRLNDFCABX-UHFFFAOYSA-N;139.2;0.2;;;;;DOPC;MDCG;27;1;"MARTINI bead: SP1_SP1";;;;;;;-0.79;;-7.43;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM436559;MM436559;C=CCC1OC1C(=N)NC;GWDQNWCJENEFQW-UHFFFAOYSA-N;140.19;0.53;;;;;DOPC;MDCG;27;1;"MARTINI bead: P3_SNa";;;;;;;-1.1;;-7.5;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM436560;MM436560;CNN=c1ccn(C)o1;PFHULXKEMGFJJL-UHFFFAOYSA-N;127.15;-0.35;;;;;DOPC;MDCG;27;0;"MARTINI bead: SN0_SP1";;;;;;;0.34;;-1.53;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM436561;MM436561;C#CC1CNC(=CC#N)N1;PSTSZPISOZQADY-UHFFFAOYSA-N;133.15;-0.45;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP3_SP1";;;;;;;-1.93;;-4.72;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM436562;MM436562;C=C1C(CC)CCN1C=N;MHNUPXQSWSKCCT-UHFFFAOYSA-N;138.21;1.84;;;;;DOPC;MDCG;27;1;"MARTINI bead: SN0_SNd";;;;;;;1.17;;-4.61;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM436563;MM436563;C=C1CCC(C)(O)C1=C;KBSAKKLOFTYWDV-UHFFFAOYSA-N;124.18;1.64;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNda_SC4";;;;;;;2.2;;0.49;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM436564;MM436564;CNC(=N)C1OC1CC#N;GECRYSNEBPYWSU-UHFFFAOYSA-N;139.16;-0.14;;;;;DOPC;MDCG;27;1;"MARTINI bead: P3_SNa";;;;;;;-1.1;;-7.49;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM436565;MM436565;Cc1cn(C)c(=NN)n1C;KNJDIFVHYRZMRG-UHFFFAOYSA-N;140.19;-0.55;;;;;DOPC;MDCG;27;1;"MARTINI bead: SP1_SP2";;;;;;;-1.06;;-6.66;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM436566;MM436566;CCCNN=C(CC)CC;USKCTTAPUZKOPC-UHFFFAOYSA-N;142.25;2.16;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nd_C4";;;;;;;2.2;;0.32;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM436567;MM436567;C#CC1CNC(=NC=N)N1;ZSPBNCJXOVDICQ-UHFFFAOYSA-N;136.16;-0.86;;;;;DOPC;MDCG;27;1;"MARTINI bead: SP2_SP3";;;;;;;-2.2;;-7.43;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM436568;MM436568;C=C1C(CN)CCN1C=N;QYOONTCSIAAGCO-UHFFFAOYSA-N;139.2;0.39;;;;;DOPC;MDCG;27;1;"MARTINI bead: SP2_SNd";;;;;;;-0.24;;-6.68;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM436569;MM436569;CC(O)(C#N)CCC(=O)O;VJBXVOZKBVSNKM-UHFFFAOYSA-N;143.14;0.13;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_P1";;;;;;;-0.79;;-8.02;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM436570;MM436570;CN=c1n(C)cc(N)n1C;IXJNUOLGXMIGQE-UHFFFAOYSA-N;140.19;-0.52;;;;;DOPC;MDCG;27;1;"MARTINI bead: SP1_SP2";;;;;;;-1.06;;-8.2;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM436571;MM436571;C#CC1COC(=CC#N)N1;SDXQZLYJHJKGNF-UHFFFAOYSA-N;134.14;-0.03;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP2_SNda";;;;;;;-0.24;;-3.31;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM436572;MM436572;N#CCC1OC1C(=O)NO;KOCGQMYNEIZXQZ-UHFFFAOYSA-N;142.11;-0.83;;;;;DOPC;MDCG;27;0;"MARTINI bead: P4_SNa";;;;;;;-1.19;;-4.76;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM436573;MM436573;CNc1non(N)c1=O;XKABVTCLWHJRIB-UHFFFAOYSA-N;130.11;-1.41;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNda_SP3";;;;;;;-1.1;;-3.97;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM436574;MM436574;C=C1C(CN)CCN1C=O;VKKOGPHFWZZWHK-UHFFFAOYSA-N;140.19;-0.06;;;;;DOPC;MDCG;27;1;"MARTINI bead: SP2_SNda";;;;;;;-0.24;;-5.62;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM436575;MM436575;C=C(OCC)C1(CN)CO1;YYKQPZYYVPLRPT-UHFFFAOYSA-N;143.19;0.26;;;;;DOPC;MDCG;27;1;"MARTINI bead: C5_SP2";;;;;;;0.54;;-3.01;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM436576;MM436576;Cn1cc(N)n(C)c1=NN;YEHCCFGYOOUNTN-UHFFFAOYSA-N;141.18;-1.28;;;;;DOPC;MDCG;27;1;"MARTINI bead: SP2_SP2";;;;;;;-1.34;;-7.39;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM436577;MM436577;C#CC1CCC(=CC=C)O1;POZFNXNJQRIJCS-UHFFFAOYSA-N;134.18;1.87;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC5_SN0";;;;;;;1.94;;0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM436578;MM436578;C=CCC1OC1C(=C)OC;MWXUVQXFYRSUIW-UHFFFAOYSA-N;140.18;1.49;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_SNa";;;;;;;0.87;;-2.22;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM436579;MM436579;CCC(CN)=NNCCN;DCDDDMFHKABWPB-UHFFFAOYSA-N;144.22;-0.74;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_P4";;;;;;;-1.19;;-6.53;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM436580;MM436580;C=CCC(=C)C1(CC)CC1;RPEIFHVKHALOLE-UHFFFAOYSA-N;136.24;3.31;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC3_C2";;;;;;;4.53;;0.32;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM436581;MM436581;C=C1C(CO)CCN1C=O;CSMHKZMRXYFWBI-UHFFFAOYSA-N;141.17;-0.03;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP1_SNda";;;;;;;0.04;;-2.73;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM436582;MM436582;CN=c1n(C)cc(O)n1C;BATCGGJLNQFTHM-UHFFFAOYSA-N;141.17;-0.4;;;;;DOPC;MDCG;27;1;"MARTINI bead: SP1_SP1";;;;;;;-0.79;;-5.56;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM436583;MM436583;C=C(CC)C1CN1CC#N;GOXWOYVWVBMIKI-UHFFFAOYSA-N;136.2;1.16;;;;;DOPC;MDCG;27;0;"MARTINI bead: C3_SP1";;;;;;;1.74;;0.29;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM436584;MM436584;C#CC1CCC(=CC#N)O1;XPXNVLSAWHYSKI-UHFFFAOYSA-N;133.15;1.21;;;;;DOPC;MDCG;27;0;"MARTINI bead: SN0_SNa";;;;;;;1.17;;-1.18;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM436585;MM436585;CCCNN=C(CC)CF;XHHALKAKPQOQCI-UHFFFAOYSA-N;146.21;1.72;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nd_Na";;;;;;;0.87;;-1.88;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM436586;MM436586;C=C1C(CF)CCN1C=N;UBRKGGXLRRTUID-UHFFFAOYSA-N;142.18;1.4;;;;;DOPC;MDCG;27;1;"MARTINI bead: SNa_SNd";;;;;;;0.87;;-5.41;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM436587;MM436587;C=C(CC=O)C1(CC)CC1;BEDPLYNNZVVMQO-UHFFFAOYSA-N;138.21;2.32;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC3_Na";;;;;;;2.57;;0.45;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM436588;MM436588;Cn1cc(O)n(C)c1=NN;LJNYYCVYNHMDRC-UHFFFAOYSA-N;142.16;-1.16;;;;;DOPC;MDCG;27;1;"MARTINI bead: SP1_SP2";;;;;;;-1.06;;-4.83;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM436589;MM436589;C#CC1OCC(=CC=C)O1;LRVBRZNQCRZSCU-UHFFFAOYSA-N;136.15;1.06;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNa_SP1";;;;;;;0.04;;-2.54;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM436590;MM436590;C=CCN1CC1C(=C)CN;LIAJQWKPNUFUOM-UHFFFAOYSA-N;138.21;0.37;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1_SNd";;;;;;;0.04;;-4.54;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM436591;MM436591;CCC(CF)=NNCCN;UMBMHIMEQBDEFL-UHFFFAOYSA-N;147.2;0.27;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nda_P1";;;;;;;0.04;;-4.34;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM436592;MM436592;C=C(CC#N)C1(CC)CC1;JQJOHTQVHBLTRU-UHFFFAOYSA-N;135.21;2.65;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC3_N0";;;;;;;2.87;;0.37;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM436593;MM436593;C=C1C(CF)CCN1C=O;JMCHQULTGOZIAK-UHFFFAOYSA-N;143.16;0.95;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNa_SNda";;;;;;;0.87;;-1.99;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM436594;MM436594;C=NNC=NC(C)(C)C;KWEITRKPHNJYLQ-UHFFFAOYSA-N;127.19;1.02;;;;;DOPC;MDCG;27;0;"MARTINI bead: C3_P2";;;;;;;1.46;;-0.15;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM436595;MM436595;C#CC1OCC(=CC#N)O1;OVACGYZJDAZIGB-UHFFFAOYSA-N;135.12;0.4;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP1_SP1";;;;;;;-0.79;;-3.13;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM436596;MM436596;CC(=NN)OC=CC(C)C;GSZAOGZFBZNYTN-UHFFFAOYSA-N;142.2;1.46;;;;;DOPC;MDCG;27;0;"MARTINI bead: C2_P2";;;;;;;1.72;;0.27;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM436597;MM436597;NCCNN=C(CN)CO;ZEBFDKDIOCXULF-UHFFFAOYSA-N;146.19;-2.16;;;;;DOPC;MDCG;27;1;"MARTINI bead: P4_P2";;;;;;;-2.29;;-7.55;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM436598;MM436598;C=C(NC=N)C1(CC)CC1;DBADUJCJHVVVPL-UHFFFAOYSA-N;138.21;1.89;;;;;DOPC;MDCG;27;1;"MARTINI bead: SC3_P2";;;;;;;1.46;;-3.81;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM436599;MM436599;C=CN1CCC(CN)C1=N;ZXYFHBHXVNJMBE-UHFFFAOYSA-N;139.2;0.39;;;;;DOPC;MDCG;27;1;"MARTINI bead: SP2_SNd";;;;;;;-0.24;;-7.25;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM436600;MM436600;C=C(CF)C1CN1CC#N;MDOLWKBBBJSWTB-UHFFFAOYSA-N;140.16;0.72;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_SP1";;;;;;;0.04;;-2.54;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM436601;MM436601;C#CC1CNC(=CC#N)O1;ZUYZCNOEHJCPFG-UHFFFAOYSA-N;134.14;-0.03;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP2_SNda";;;;;;;-0.24;;-3.31;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM436602;MM436602;CN=c1n(C)cc(F)n1C;FBWXGNFKIGHJRL-UHFFFAOYSA-N;143.17;0.03;;;;;DOPC;MDCG;27;1;"MARTINI bead: SP1_SNa";;;;;;;0.04;;-4.11;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM436603;MM436603;NCCNN=C(CO)CO;NBEDCPBXZIFNKN-UHFFFAOYSA-N;147.18;-2.12;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1_P5";;;;;;;-1.94;;-7.48;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM436604;MM436604;N=CN1CCC(CO)C1=N;NSETTZCFSHVIIL-UHFFFAOYSA-N;141.17;-0.12;;;;;DOPC;MDCG;27;1;"MARTINI bead: SP1_SP1";;;;;;;-0.79;;-5.03;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM436605;MM436605;C=C(NC=O)C1(CC)CC1;DEVIVMXHJMUOJW-UHFFFAOYSA-N;139.2;1.44;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC3_P2";;;;;;;1.46;;-0.15;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM436606;MM436606;CC1=C(F)CC(=NN)C1;AZNSSMCXJAEKQV-UHFFFAOYSA-N;128.15;1.34;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC4_SNd";;;;;;;2.2;;0.32;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM436607;MM436607;C#CC=C1CCC(C#C)C1;WSJIDNFASDGLTP-UHFFFAOYSA-N;130.19;1.98;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC4_SC4";;;;;;;3.53;;0.53;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM436608;MM436608;CCC=NNC=CC=O;PQZZFGOWKKCMJS-UHFFFAOYSA-N;126.16;0.68;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nd_Na";;;;;;;0.87;;-1.88;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM436609;MM436609;Cn1cc(F)n(C)c1=NO;UWOPOUXZWNVJLM-UHFFFAOYSA-N;145.14;-0.21;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNa_SP2";;;;;;;-0.24;;-3.24;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM436611;MM436611;C=CN1CCC(CF)C1=N;PFXKFXOKQWTAOZ-UHFFFAOYSA-N;142.18;1.4;;;;;DOPC;MDCG;27;1;"MARTINI bead: SNa_SNd";;;;;;;0.87;;-5.69;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM436610;MM436610;C=C(NC=N)C1(CN)CC1;VCCNVAGTAVRNDK-UHFFFAOYSA-N;139.2;0.44;;;;;DOPC;MDCG;27;1;"MARTINI bead: SNd_P2";;;;;;;-0.24;;-6.95;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM436612;MM436612;CN1N=C(N)CCC1=O;HJCUWMQOPGFDSW-UHFFFAOYSA-N;127.15;-0.49;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP2_SP1";;;;;;;-1.06;;-3.82;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM436613;MM436613;C#CC=C1CNC(C#C)C1;CBALRYNCXMIGIW-UHFFFAOYSA-N;131.18;0.54;;;;;DOPC;MDCG;27;1;"MARTINI bead: SN0_SNd";;;;;;;1.17;;-2.87;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM436614;MM436614;CN=c1n(N)cc(C)n1C;LAWRWUACGGHHDF-UHFFFAOYSA-N;140.19;-0.62;;;;;DOPC;MDCG;27;1;"MARTINI bead: SP2_SP1";;;;;;;-1.06;;-7.48;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM436615;MM436615;C=NNCC1NC1C=O;LQQUQVOYCYTQBD-UHFFFAOYSA-N;127.15;-1.27;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_SP2";;;;;;;-1.34;;-4.31;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM436616;MM436616;C=CNC(=N)C1(CC)CC1;OZNWRIGEVRGHFK-UHFFFAOYSA-N;138.21;1.89;;;;;DOPC;MDCG;27;1;"MARTINI bead: SC3_P2";;;;;;;1.46;;-4.54;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM436617;MM436617;C=NN1CCC(CN)C1=N;MSGBKAZZXHLQBF-UHFFFAOYSA-N;140.19;-0.14;;;;;DOPC;MDCG;27;1;"MARTINI bead: SP2_SP1";;;;;;;-1.06;;-4.91;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM436618;MM436618;C=CCN1CC1C(=C)OC;KEOWWMAINNYETC-UHFFFAOYSA-N;139.2;1.02;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_SNd";;;;;;;0.87;;-1.88;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM436619;MM436619;C#CC=C1COC(C#C)C1;IJGXNIJEZZFJEZ-UHFFFAOYSA-N;132.16;0.97;;;;;DOPC;MDCG;27;0;"MARTINI bead: SN0_SNa";;;;;;;1.17;;-1.18;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM436620;MM436620;Cc1cn(N)c(=NN)n1C;GQZFILZUIHANTQ-UHFFFAOYSA-N;141.18;-1.38;;;;;DOPC;MDCG;27;1;"MARTINI bead: SP1_SP3";;;;;;;-1.93;;-6.94;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM436621;MM436621;COC(CO)=NNCCN;OZBVTJRRULYCNR-UHFFFAOYSA-N;147.18;-1.51;;;;;DOPC;MDCG;27;1;"MARTINI bead: P2_P1";;;;;;;-1.06;;-5.14;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM436622;MM436622;C=CNC(=N)C1(CO)CC1;RBLQMRFEYWXYNS-UHFFFAOYSA-N;140.19;0.47;;;;;DOPC;MDCG;27;1;"MARTINI bead: SNda_P2";;;;;;;-0.24;;-7.37;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM436623;MM436623;C=C1C(NC)CCN1C=N;TXYIDNNPAUPCDY-UHFFFAOYSA-N;139.2;0.4;;;;;DOPC;MDCG;27;1;"MARTINI bead: SP1_SNd";;;;;;;0.04;;-5.92;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM436624;MM436624;CNC(=O)C1CN1N=CN;FWOOYUKWAACQAM-UHFFFAOYSA-N;142.16;-1.68;;;;;DOPC;MDCG;27;1;"MARTINI bead: P3_SP3";;;;;;;-3.07;;-7.4;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM436625;MM436625;C#CC=C1CC(C#C)CO1;VLZCIJXRWVDZIM-UHFFFAOYSA-N;132.16;1.17;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNa_SN0";;;;;;;1.17;;-1.18;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM436626;MM436626;CN=c1n(N)cc(N)n1C;ILNCVHWSYZCAPV-UHFFFAOYSA-N;141.18;-1.35;;;;;DOPC;MDCG;27;1;"MARTINI bead: SP2_SP2";;;;;;;-1.34;;-8.22;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM436627;MM436627;CCOC=NNC1CC1;BKUGTLLBIFKDRZ-UHFFFAOYSA-N;128.18;0.72;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda_SC5";;;;;;;1.64;;0.05;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM436628;MM436628;C=CNC(=O)C1(CC)CC1;HBDDDESSEKDAAJ-UHFFFAOYSA-N;139.2;1.44;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC3_P2";;;;;;;1.46;;-0.15;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM436629;MM436629;C=C1C(OC)CCN1C=O;LFSSVENQZBQVPS-UHFFFAOYSA-N;141.17;0.38;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP1_SNda";;;;;;;0.04;;-2.73;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM436630;MM436630;C#CC=C1CCC(C#C)O1;YLMWXNXQQOQMCC-UHFFFAOYSA-N;132.16;1.32;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNa_SN0";;;;;;;1.17;;-1.18;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM436631;MM436631;COC(=O)C1CN1N=CN;FIWSXJAGFXHCEA-UHFFFAOYSA-N;143.15;-1.25;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1_SP3";;;;;;;-1.93;;-5.96;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM436632;MM436632;Cn1c(N)cn(N)c1=NN;MMVGTMBHXVKJLB-UHFFFAOYSA-N;142.17;-2.1;;;;;DOPC;MDCG;27;1;"MARTINI bead: SP2_SP2";;;;;;;-1.34;;-6.83;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM436633;MM436633;CCCNN=C(NC)NC;XZGMDDLIRJTOMU-UHFFFAOYSA-N;144.22;-0.3;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_P2";;;;;;;-0.24;;-6.94;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM436634;MM436634;CCC1CNN(C=O)C1=N;KOSTZVQUUDNVFG-UHFFFAOYSA-N;141.17;-0.03;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP1_SP3";;;;;;;-1.93;;-4.72;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM436635;MM436635;C=CNC(=O)C1(CN)CC1;LUDQQHYHHZKWEL-UHFFFAOYSA-N;140.19;-0.02;;;;;DOPC;MDCG;27;1;"MARTINI bead: SNd_P2";;;;;;;-0.24;;-4.91;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM436636;MM436636;C#CC=C1COC(C#C)O1;SVJHAHZCUASVDD-UHFFFAOYSA-N;134.13;0.51;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNa_SP1";;;;;;;0.04;;-2.54;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM436637;MM436637;C=CCC1CN1C(=N)CC;SPALMIUNCIJDNO-UHFFFAOYSA-N;138.21;1.63;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1_SN0";;;;;;;0.34;;-5.44;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM436638;MM436638;CN=c1n(N)cc(O)n1C;IOZQARHLCYZOJX-UHFFFAOYSA-N;142.16;-1.22;;;;;DOPC;MDCG;27;1;"MARTINI bead: SP2_SP1";;;;;;;-1.06;;-5.68;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM436639;MM436639;CNC(=NNCCO)NC;OILJYSXSMYPRCV-UHFFFAOYSA-N;146.19;-1.72;;;;;DOPC;MDCG;27;1;"MARTINI bead: P2_P1";;;;;;;-1.06;;-7.24;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM436640;MM436640;C#CC1CCC(CC)C1=C;BPCYNQWJYMZJIH-UHFFFAOYSA-N;134.22;2.61;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC1_SC4";;;;;;;4.24;;0.42;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM436641;MM436641;C=C1C=CC(C)(O)C1C;HWAGZVDWVZBBAW-UHFFFAOYSA-N;124.18;1.5;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC3_SNda";;;;;;;2.57;;0.44;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM436642;MM436642;CC=C1CCC(=CCC)C1;NFIMWSAXMRUYDT-UHFFFAOYSA-N;136.24;3.45;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC1_SC1";;;;;;;4.95;;0.69;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM436643;MM436643;CNC(=NNCCO)NN;WQLPQOKQIMPUFB-UHFFFAOYSA-N;147.18;-2.48;;;;;DOPC;MDCG;27;1;"MARTINI bead: P2_P4";;;;;;;-2.29;;-8.54;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM436644;MM436644;Cn1c(F)cn(N)c1=NO;RDRSZPWXIGCBPO-UHFFFAOYSA-N;146.13;-1.03;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNa_SP3";;;;;;;-1.1;;-4.2;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM436645;MM436645;CCC(=N)N1CC1CC#N;CTTZCRFAOLPMAQ-UHFFFAOYSA-N;137.19;0.97;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1_SP2";;;;;;;-1.06;;-7.45;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM436646;MM436646;CC=C(C)CC(O)C(C)C;VGKIOXVVCRCDKD-UHFFFAOYSA-N;142.24;2.36;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1_Nda";;;;;;;2.91;;0.57;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM436647;MM436647;O=CNC(=O)C1(CO)CC1;SVLVGRZODNLDIN-UHFFFAOYSA-N;143.14;-0.97;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNda_P4";;;;;;;-1.19;;-4.91;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM436648;MM436648;CC=C1CCC(=CCN)C1;GHDRLHFWBISRRT-UHFFFAOYSA-N;137.23;2;;;;;DOPC;MDCG;27;1;"MARTINI bead: SC1_SNd";;;;;;;2.91;;-0.08;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM436649;MM436649;C=CCC1CN1C(=N)CO;DLDVTMOAUXQOHF-UHFFFAOYSA-N;140.19;0.22;;;;;DOPC;MDCG;27;1;"MARTINI bead: P4_SN0";;;;;;;-0.88;;-6.16;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM436650;MM436650;CN=c1n(O)cc(C)n1C;JPWAMOUSLQOVKH-UHFFFAOYSA-N;141.17;-0.1;;;;;DOPC;MDCG;27;1;"MARTINI bead: SP2_SP1";;;;;;;-1.06;;-5.89;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM436651;MM436651;CNC(=NNCCN)NO;CRMYOLGYQJXBRU-UHFFFAOYSA-N;147.18;-2;;;;;DOPC;MDCG;27;1;"MARTINI bead: P2_P4";;;;;;;-2.29;;-7.73;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM436652;MM436652;C=COC(=C)C1(CC)CC1;MMRQZPZQGBFHKX-UHFFFAOYSA-N;138.21;2.85;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC3_C5";;;;;;;3.34;;0.48;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM436653;MM436653;C#CC1CCC(NC)C1=C;NOACMEQVDNRAJL-UHFFFAOYSA-N;135.21;1.17;;;;;DOPC;MDCG;27;1;"MARTINI bead: SNd_SC4";;;;;;;2.2;;-1.95;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM436654;MM436654;CC=C1CCC(=CCO)C1;WYNWPPJCQVBWRE-UHFFFAOYSA-N;138.21;2.04;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC1_SC5";;;;;;;3.68;;0.46;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM436655;MM436655;C=CCC1CN1C(=O)CC;RXOKPIOVAGWHFE-UHFFFAOYSA-N;139.2;1.18;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_SN0";;;;;;;0.06;;-2.21;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM436656;MM436656;CN=c1n(O)cc(N)n1C;CXQXTMKETLAIGB-UHFFFAOYSA-N;142.16;-0.82;;;;;DOPC;MDCG;27;1;"MARTINI bead: SP2_SP2";;;;;;;-1.34;;-6.67;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM436657;MM436657;CNC(=NNCCO)NO;NMYGFJQPMXPDNU-UHFFFAOYSA-N;148.17;-1.96;;;;;DOPC;MDCG;27;1;"MARTINI bead: P2_P4";;;;;;;-2.29;;-7.25;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM436658;MM436658;C#CC1CCC(OC)C1=C;QYNMNUKBISGJHQ-UHFFFAOYSA-N;136.19;1.6;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC5_SC4";;;;;;;2.97;;0.45;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM436659;MM436659;C=COC(=C)C1(CN)CC1;HTDKACRCQLKRCY-UHFFFAOYSA-N;139.2;1.4;;;;;DOPC;MDCG;27;1;"MARTINI bead: SNd_C5";;;;;;;1.64;;-2.27;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM436660;MM436660;CCC=C1CCC(=CF)C1;PCOVEWICEMARAM-UHFFFAOYSA-N;140.2;3.36;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC1_SC4";;;;;;;4.24;;0.42;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM436661;MM436661;C#CCC1CC1C(=C)CC;SJIJHJVCKYDKPZ-UHFFFAOYSA-N;134.22;2.61;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1_SC4";;;;;;;4.24;;0.42;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM436662;MM436662;C#CC1OCC(CC)C1=C;DDCMEGAYTRGNPJ-UHFFFAOYSA-N;136.19;1.6;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC5_SNa";;;;;;;1.64;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM436663;MM436663;CC(C)=CCOC(C)=NN;VRQGAYZTRQAWJM-UHFFFAOYSA-N;142.2;1.26;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1_P2";;;;;;;1.8;;0.4;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM436664;MM436664;CCCNN=C(NN)NN;MJOBXWSSCKZYCU-UHFFFAOYSA-N;146.2;-1.82;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_P4";;;;;;;-1.19;;-7.21;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM436665;MM436665;C=NOC(=O)C1(CC)CC1;LUTLJJPWXMWMPT-UHFFFAOYSA-N;141.17;1.34;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC3_P1";;;;;;;1.74;;0.29;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM436666;MM436666;NCC=C1CCC(=CF)C1;UZXMYGDZFIBORI-UHFFFAOYSA-N;141.19;1.91;;;;;DOPC;MDCG;27;1;"MARTINI bead: SNd_SC4";;;;;;;2.2;;-1.67;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM436667;MM436667;C#CCC1CC1C(=C)CO;AOUPVVUHDLZWNI-UHFFFAOYSA-N;136.19;1.19;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda_SC4";;;;;;;2.2;;0.49;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM436668;MM436668;NNC(=NNCCO)NN;DRAWPQADELSNBB-UHFFFAOYSA-N;148.17;-3.23;;;;;DOPC;MDCG;27;1;"MARTINI bead: P4_P1";;;;;;;-2.01;;-7.14;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM436669;MM436669;C=CC1CCC(C=C)C1=C;ZCYXLHXSFAJLLI-UHFFFAOYSA-N;134.22;2.94;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC2_SC3";;;;;;;4.53;;0.32;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM436670;MM436670;CC(F)=CCOC(C)=NN;KDJVQFOTPMEQBP-UHFFFAOYSA-N;146.17;1.17;;;;;DOPC;MDCG;27;0;"MARTINI bead: C3_P2";;;;;;;1.46;;-0.15;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM436671;MM436671;C=COC(=C)C1(NC)CC1;FWHBZFCUEPGQTB-UHFFFAOYSA-N;139.2;1.41;;;;;DOPC;MDCG;27;1;"MARTINI bead: SNd_C5";;;;;;;1.64;;-1.23;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM436672;MM436672;CCC=C1CCC(=NN)C1;JPKBBCIBGNKKMK-UHFFFAOYSA-N;138.21;1.82;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC1_SNd";;;;;;;2.91;;0.63;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM436673;MM436673;C#CCC1CC1C(=C)CF;NYUVCUCLDXKYKD-UHFFFAOYSA-N;138.19;2.17;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4_SC4";;;;;;;3.53;;0.53;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM436674;MM436674;CN=c1n(C)cc(C)n1N;ONWHONNJHLRDDO-UHFFFAOYSA-N;140.19;-0.62;;;;;DOPC;MDCG;27;1;"MARTINI bead: SP1_SP1";;;;;;;-0.79;;-6.86;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM436675;MM436675;C=CC1CCC(C=O)C1=C;FZYOZQCMBRJFCL-UHFFFAOYSA-N;136.19;1.95;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC2_SNa";;;;;;;2.83;;0.35;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM436676;MM436676;NCCNN=C(NO)NO;XZZNNNUFDGXKTO-UHFFFAOYSA-N;149.15;-2.24;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1_P4";;;;;;;-2.01;;-6.44;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM436677;MM436677;COC1(C(=O)NC=N)CC1;OGRGSPVEJAKZDB-UHFFFAOYSA-N;142.16;-0.11;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNa_P4";;;;;;;-1.19;;-4.76;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM436678;MM436678;C#CCC(C)(F)C=NNC;UBXIHLGWNQEADP-UHFFFAOYSA-N;142.18;0.94;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_C4";;;;;;;1.09;;-0.38;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM436679;MM436679;Cc1cn(C)c(=NN)n1N;VLCVDKRIPYZFQF-UHFFFAOYSA-N;141.18;-1.38;;;;;DOPC;MDCG;27;1;"MARTINI bead: SP1_SP2";;;;;;;-1.06;;-6.09;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM436680;MM436680;C#CCC1CC1C(=O)CC;BBMBPJVVRFFZBV-UHFFFAOYSA-N;136.19;1.62;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_SC4";;;;;;;2.2;;0.34;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM436681;MM436681;C=C1C(C#N)CCC1C#N;AWEAUZILHQQTJS-UHFFFAOYSA-N;132.17;1.62;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC5_SC5";;;;;;;2.41;;0.64;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM436682;MM436682;CNC(=NNCCN)OC;KCCNNIKSGABHGS-UHFFFAOYSA-N;146.19;-1.33;;;;;DOPC;MDCG;27;1;"MARTINI bead: P2_P2";;;;;;;-1.34;;-5.63;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM436683;MM436683;C=C(CC#N)C1(CC)CN1;VFXGUMGMGLSUIB-UHFFFAOYSA-N;136.2;1.21;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNd_N0";;;;;;;1.17;;-1.04;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM436684;MM436684;CCC=C1CCC(=NO)C1;ZZGMRSRDKUPXKK-UHFFFAOYSA-N;139.2;2.34;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC1_SNda";;;;;;;2.91;;0.57;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM436685;MM436685;CN=c1n(C)cc(N)n1N;SXFYPOROUFMHJY-UHFFFAOYSA-N;141.18;-1.35;;;;;DOPC;MDCG;27;1;"MARTINI bead: SP1_SP2";;;;;;;-1.06;;-7.81;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM436686;MM436686;CC(=O)C=CCC(C)(C)O;IZQDKMFWQHFMRJ-UHFFFAOYSA-N;142.2;1.29;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_Nda";;;;;;;0.87;;-1.99;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM436687;MM436687;C#CCC1CC1C(=O)CO;NSQYOOIHYIKIBG-UHFFFAOYSA-N;138.17;0.21;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_SC4";;;;;;;1.09;;-0.38;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM436688;MM436688;C=CC1CNC(C=O)C1=C;WRHAEUYESJHZPP-UHFFFAOYSA-N;137.18;0.52;;;;;DOPC;MDCG;27;1;"MARTINI bead: SN0_SP1";;;;;;;0.34;;-2.75;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM436689;MM436689;C#CC(=O)C=CN(C)C;ICBPWCBWJXDCPQ-UHFFFAOYSA-N;123.16;0.26;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_Na";;;;;;;0.04;;-2.54;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM436690;MM436690;NCC=C1CCC(=NO)C1;WXGHDQPIFNTSEZ-UHFFFAOYSA-N;140.19;0.89;;;;;DOPC;MDCG;27;1;"MARTINI bead: SNd_SNda";;;;;;;0.87;;-4.14;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM436691;MM436691;Cn1cc(N)n(N)c1=NN;YESJDDDRYVFQBK-UHFFFAOYSA-N;142.17;-2.1;;;;;DOPC;MDCG;27;1;"MARTINI bead: SP2_SP2";;;;;;;-1.34;;-6.93;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM436692;MM436692;C#CCC(C)(C)C(O)C=C;JZIFZANALKJSFR-UHFFFAOYSA-N;138.21;1.58;;;;;DOPC;MDCG;27;0;"MARTINI bead: C3_Nda";;;;;;;2.57;;0.44;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM436693;MM436693;C#CCC1CC1C(=N)NC;PWWHOYQDVLMUGP-UHFFFAOYSA-N;136.2;0.84;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1_SC4";;;;;;;1.37;;-5.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM436694;MM436694;C=CC1CNC(C#N)C1=C;MLRGPOYVHDBRFP-UHFFFAOYSA-N;134.18;0.84;;;;;DOPC;MDCG;27;0;"MARTINI bead: SN0_SP1";;;;;;;0.34;;-1.53;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM436695;MM436695;C=C1C=CC(O)(CC)C1;GJNAQCVYIPEORH-UHFFFAOYSA-N;124.18;1.64;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC5_SC4";;;;;;;2.97;;0.45;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM436696;MM436696;CCC=C1CN=C(NC)C1;WDGSKSBVVMFRTE-UHFFFAOYSA-N;138.21;1.34;;;;;DOPC;MDCG;27;1;"MARTINI bead: SC4_SNd";;;;;;;2.2;;-2.87;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM436697;MM436697;CN=c1n(C)cc(O)n1N;TXKJDLLHJTTZBE-UHFFFAOYSA-N;142.16;-1.22;;;;;DOPC;MDCG;27;1;"MARTINI bead: SP1_SP2";;;;;;;-1.06;;-5.82;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM436698;MM436698;C#CCC(C)(O)C(C)=CC;YZXCSLKZVWZCDU-UHFFFAOYSA-N;138.21;1.73;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4_N0";;;;;;;2.5;;0.44;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM436699;MM436699;C#CCC1CC1C(=N)NN;WWZFTLBUFMVKKV-UHFFFAOYSA-N;137.19;0.09;;;;;DOPC;MDCG;27;1;"MARTINI bead: P2_SC4";;;;;;;1.09;;-3.97;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM436700;MM436700;C=CC1NCC(C=O)C1=C;ZCSLPULOKRBUPP-UHFFFAOYSA-N;137.18;0.52;;;;;DOPC;MDCG;27;1;"MARTINI bead: SNd_SP2";;;;;;;-0.24;;-4.98;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM436701;MM436701;NCC1(C(=O)NC=O)CN1;XOUGMRLUZYSAOP-UHFFFAOYSA-N;143.15;-2.44;;;;;DOPC;MDCG;27;1;"MARTINI bead: SP2_P4";;;;;;;-2.29;;-7.22;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM436702;MM436702;CN=c1n(C)cc(F)n1N;FLPJLKAGDLWSKQ-UHFFFAOYSA-N;144.15;-0.79;;;;;DOPC;MDCG;27;1;"MARTINI bead: SP1_SP1";;;;;;;-0.79;;-4.31;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM436703;MM436703;CN=C1CC(=CCN)CN1;BEADJRTWXXQEJN-UHFFFAOYSA-N;139.2;-0.11;;;;;DOPC;MDCG;27;1;"MARTINI bead: SNd_SP2";;;;;;;-0.24;;-6.6;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM436704;MM436704;C=C(C(C)=O)C1NC1C;XSIWDFBJYJPOFS-UHFFFAOYSA-N;125.17;0.49;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP1_Na";;;;;;;0.04;;-2.54;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM436705;MM436705;COC(=NNCCN)NO;XDDPOSDCERHORX-UHFFFAOYSA-N;148.17;-1.57;;;;;DOPC;MDCG;27;1;"MARTINI bead: P2_P1";;;;;;;-1.06;;-5.14;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM436706;MM436706;CC(C)=NNCC(C)C#N;DYNSRBFQZJZAPQ-UHFFFAOYSA-N;139.2;1.13;;;;;DOPC;MDCG;27;0;"MARTINI bead: N0_Nd";;;;;;;1.17;;-1.04;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM436707;MM436707;Cc1nc(=NN)on1C;PFIAHAHMPIXWLM-UHFFFAOYSA-N;128.14;-0.9;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNa_SP3";;;;;;;-1.1;;-4.2;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM436708;MM436708;Cn1cc(F)n(N)c1=NO;YPMTZAOHDQTAMI-UHFFFAOYSA-N;146.13;-1.03;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP1_SP2";;;;;;;-1.06;;-3.82;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM436709;MM436709;CN=C1CC(=CCO)CN1;IZWQEJWDMVZBKC-UHFFFAOYSA-N;140.19;-0.07;;;;;DOPC;MDCG;27;1;"MARTINI bead: SNd_SP1";;;;;;;0.04;;-6.09;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM436710;MM436710;C#CCC1CC1C(=C)OC;SNQPNFUTGKAPHA-UHFFFAOYSA-N;136.19;1.81;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_SC4";;;;;;;2.97;;0.45;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM436711;MM436711;C=CCC(C)(O)CC#CC;ZNLUSXZWVTYWSW-UHFFFAOYSA-N;138.21;1.73;;;;;DOPC;MDCG;27;0;"MARTINI bead: N0_C4";;;;;;;2.5;;0.44;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM436712;MM436712;C=C1C(C#N)CNC1C#N;WIVFYGJJRJJQEA-UHFFFAOYSA-N;133.15;0.18;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP1_SP1";;;;;;;-0.79;;-3.13;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM436713;MM436713;C=COC(=C)C1(CC)CN1;XFEXKJLQOJYJJU-UHFFFAOYSA-N;139.2;1.41;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNd_C5";;;;;;;1.64;;0.03;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM436714;MM436714;CN=c1n(N)cc(C)n1N;AGDLCDFMZRIVQI-UHFFFAOYSA-N;141.18;-1.44;;;;;DOPC;MDCG;27;1;"MARTINI bead: SP2_SP1";;;;;;;-1.06;;-6.94;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM436715;MM436715;CCC=C1CN=C(NN)C1;KYGJNGXPJUVLOQ-UHFFFAOYSA-N;139.2;0.59;;;;;DOPC;MDCG;27;1;"MARTINI bead: SC4_SNd";;;;;;;2.2;;-1.15;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM436716;MM436716;COC(=NNCCN)OC;QCMFIFJUGVNCGQ-UHFFFAOYSA-N;147.18;-0.9;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1_P1";;;;;;;-0.79;;-4.45;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM436717;MM436717;C=CC1CCN(C=O)C1=C;MDHIVVYPSXZKPT-UHFFFAOYSA-N;137.18;1.16;;;;;DOPC;MDCG;27;0;"MARTINI bead: SN0_SNda";;;;;;;1.17;;-1.13;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM436718;MM436718;C#CCC1CC1C(=O)OC;POOAPSKVFATISL-UHFFFAOYSA-N;138.17;0.82;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_SC4";;;;;;;2.2;;0.34;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM436719;MM436719;C=CNC(=O)C1(CC)CO1;WEWSVTPHZBXLPN-UHFFFAOYSA-N;141.17;0.43;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNa_P2";;;;;;;-0.24;;-3.24;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM436720;MM436720;NN=C1CC(=CCO)CN1;FCHVEKDGYUJVQS-UHFFFAOYSA-N;141.17;-0.83;;;;;DOPC;MDCG;27;1;"MARTINI bead: SNd_SP1";;;;;;;0.04;;-3.78;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM436721;MM436721;CN=c1n(N)cc(N)n1N;IBWXTYLTVLJVRE-UHFFFAOYSA-N;142.17;-2.17;;;;;DOPC;MDCG;27;1;"MARTINI bead: SP2_SP2";;;;;;;-1.34;;-7.8;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM436722;MM436722;C=C1C(C=O)CCN1C=N;JUGAKYGSSZXYEH-UHFFFAOYSA-N;138.17;0.63;;;;;DOPC;MDCG;27;1;"MARTINI bead: SP2_SNd";;;;;;;-0.24;;-6.57;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM436723;MM436723;CC(=O)C(N)=NN(C)C=N;OSNCCXMHYNYBTP-UHFFFAOYSA-N;142.16;-0.61;;;;;DOPC;MDCG;27;0;"MARTINI bead: P3_Na";;;;;;;-1.1;;-4.2;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM436724;MM436724;CC1C(F)C=NN1C=N;RIBBIMBTMUHDNM-UHFFFAOYSA-N;129.14;0.62;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP1_SP1";;;;;;;-0.79;;-3.13;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM436725;MM436725;C#CCC(=C)C1(NC)CC1;YLVFAWFABMPAKC-UHFFFAOYSA-N;135.21;1.32;;;;;DOPC;MDCG;27;1;"MARTINI bead: SNd_C5";;;;;;;1.64;;-2.08;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM436726;MM436726;NCC=C1CN=C(NO)C1;HZNQFCNXAPVRSP-UHFFFAOYSA-N;141.17;-0.35;;;;;DOPC;MDCG;27;1;"MARTINI bead: SNd_SNda";;;;;;;0.87;;-3.87;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM436727;MM436727;CN=c1n(N)cc(O)n1N;MGZBSTCYUUCINX-UHFFFAOYSA-N;143.15;-2.05;;;;;DOPC;MDCG;27;1;"MARTINI bead: SP2_SP2";;;;;;;-1.34;;-5.77;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM436728;MM436728;C=C1C(C#N)CCN1C=N;CAHGHHXWSXYNGY-UHFFFAOYSA-N;135.17;0.95;;;;;DOPC;MDCG;27;1;"MARTINI bead: SP1_SNd";;;;;;;0.04;;-5.93;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM436729;MM436729;CCCON=C(CC)CC;FXPNQEIROSHWRY-UHFFFAOYSA-N;143.23;2.59;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_C4";;;;;;;2.2;;0.34;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM436730;MM436730;C#CCC1NC1C(=N)NC;JKRKOMXYXJLQAE-UHFFFAOYSA-N;137.19;-0.45;;;;;DOPC;MDCG;27;1;"MARTINI bead: P3_SP1";;;;;;;-1.93;;-8.2;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM436731;MM436731;C=CC1(C(=C)CCC)CC1;XVIKGLHUAAUTRF-UHFFFAOYSA-N;136.24;3.31;;;;;DOPC;MDCG;27;0;"MARTINI bead: C3_SC4";;;;;;;3.9;;0.47;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM436732;MM436732;CN=c1n(O)cc(C)n1N;PLSJJOYOBNGKEO-UHFFFAOYSA-N;142.16;-0.92;;;;;DOPC;MDCG;27;1;"MARTINI bead: SP2_SP1";;;;;;;-1.06;;-5.32;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM436733;MM436733;CC=C1CC(=CCC)CO1;VUFNJNJIFLVPLP-UHFFFAOYSA-N;138.21;2.65;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC5_SC5";;;;;;;2.41;;0.64;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM436734;MM436734;C=C1C(C=O)CCN1C=O;IUONMYJCHQNGPJ-UHFFFAOYSA-N;139.15;0.18;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP2_SNda";;;;;;;-0.24;;-3.31;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM436735;MM436735;CCC(CC)=NOCCN;NFQFSIAWVPRSSX-UHFFFAOYSA-N;144.22;1.14;;;;;DOPC;MDCG;27;1;"MARTINI bead: C5_P1";;;;;;;0.81;;-1.95;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM436736;MM436736;CC1OC1C#CC=NN;VHQOJXLPCKMDBN-UHFFFAOYSA-N;124.14;-0.28;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNa_P1";;;;;;;0.04;;-2.54;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM436737;MM436737;C=CC1(C(=C)CCN)CC1;GVIVZYGOSJZLDF-UHFFFAOYSA-N;137.23;1.86;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1_SC4";;;;;;;1.37;;-2.68;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM436738;MM436738;CN=c1n(O)cc(N)n1N;PJOLOJQOSKUDJU-UHFFFAOYSA-N;143.15;-1.65;;;;;DOPC;MDCG;27;1;"MARTINI bead: SP2_SP2";;;;;;;-1.34;;-6.2;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM436739;MM436739;C=C1C(C#N)CCN1C=O;AUCUOWQLVNHPEW-UHFFFAOYSA-N;136.15;0.5;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP1_SNda";;;;;;;0.04;;-2.73;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM436740;MM436740;CC=C1CC(=CCN)CO1;NMTUQEZSSFRKIC-UHFFFAOYSA-N;139.2;1.2;;;;;DOPC;MDCG;27;1;"MARTINI bead: SC5_SP1";;;;;;;0.81;;-2.72;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM436741;MM436741;C=CC1=CC(=C)C(C)(O)C1;JLFCQVJNJJGFIW-UHFFFAOYSA-N;136.19;1.81;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNda_SC3";;;;;;;2.57;;0.44;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM436742;MM436742;C#CCC1NC1C(=C)OC;SMHRSRWOMJDOMH-UHFFFAOYSA-N;137.18;0.51;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_SP1";;;;;;;0.04;;-2.54;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM436743;MM436743;CC1=NC(=NN)OC1=O;PYTDMQPCTDXIBY-UHFFFAOYSA-N;127.1;-0.77;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP1_SP1";;;;;;;-0.79;;-3.13;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM436744;MM436744;CC(=NN)OC(C)CCF;OHDZYJXTCFFCIK-UHFFFAOYSA-N;148.18;1.04;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4_P2";;;;;;;1.09;;-0.38;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM436745;MM436745;CCC(CC)=NOCCF;SKRFJHFRZADYRG-UHFFFAOYSA-N;147.19;2.15;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4_P2";;;;;;;1.09;;-0.38;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM436746;MM436746;C=CC1CCN(C=C)C1=N;PHQFGAHZGJWHRJ-UHFFFAOYSA-N;136.2;1.62;;;;;DOPC;MDCG;27;1;"MARTINI bead: SN0_SNd";;;;;;;1.17;;-5.12;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM436747;MM436747;CC=C1CC(=CCO)CO1;IYMQXDKAIADJAC-UHFFFAOYSA-N;140.18;1.23;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC5_SP1";;;;;;;0.81;;-0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM436748;MM436748;C#CCC1OC1C(=C)CC;GTNKXGZQHKJZSH-UHFFFAOYSA-N;136.19;1.74;;;;;DOPC;MDCG;27;0;"MARTINI bead: C3_SNa";;;;;;;2.57;;0.45;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM436749;MM436749;C=C(CCC)C1(C=O)CC1;ANUYFMYJTYMLNG-UHFFFAOYSA-N;138.21;2.32;;;;;DOPC;MDCG;27;0;"MARTINI bead: C3_SNa";;;;;;;2.57;;0.45;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM436750;MM436750;CCC(CN)=NOCCO;HWGDNQOUIRAVBH-UHFFFAOYSA-N;146.19;-0.28;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1_P1";;;;;;;-0.79;;-4.56;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM436751;MM436751;CCOC(C)OC(C)=NN;MSAWHJXAKQMSMB-UHFFFAOYSA-N;146.19;0.68;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_P2";;;;;;;0.54;;-1.09;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM436752;MM436752;C=CC1CCN(C=N)C1=N;KUJMSFMSHQDEDI-UHFFFAOYSA-N;137.19;1.08;;;;;DOPC;MDCG;27;1;"MARTINI bead: SN0_SP1";;;;;;;0.34;;-3.55;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM436753;MM436753;CCC=C1COC(=CF)C1;XDLBHMZYVCVZOO-UHFFFAOYSA-N;142.17;2.55;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC5_SNa";;;;;;;1.64;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM436754;MM436754;C#CCC1OC1C(=C)CN;KWHWQZABCDBNSP-UHFFFAOYSA-N;137.18;0.29;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1_SNa";;;;;;;0.04;;-4.71;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM436755;MM436755;C=C(CCO)C1(C#N)CC1;VDQFGEARDNTMGF-UHFFFAOYSA-N;137.18;1.23;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_SN0";;;;;;;0.34;;-1.53;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM436756;MM436756;CN=c1n(C)cc(C)n1O;GSCSHMFOUFHYHV-UHFFFAOYSA-N;141.17;-0.1;;;;;DOPC;MDCG;27;1;"MARTINI bead: SP1_SP1";;;;;;;-0.79;;-5.23;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM436757;MM436757;C=CC1CNN(C=N)C1=C;UBRKJGRLOIOHAE-UHFFFAOYSA-N;137.19;0.73;;;;;DOPC;MDCG;27;1;"MARTINI bead: SP2_SP2";;;;;;;-1.34;;-6.69;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM436758;MM436758;NCCON=C(CN)CN;SAIZZABHSZPHOI-UHFFFAOYSA-N;146.19;-1.76;;;;;DOPC;MDCG;27;1;"MARTINI bead: P3_P4";;;;;;;-3.15;;-8.42;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM436759;MM436759;NCC=C1COC(=CF)C1;AVCBRGHWKHSIML-UHFFFAOYSA-N;143.16;1.1;;;;;DOPC;MDCG;27;1;"MARTINI bead: SP1_SNa";;;;;;;0.04;;-4.77;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM436760;MM436760;C#CCC1OC1C(=C)CO;YYKYGKGCRKQMHU-UHFFFAOYSA-N;138.17;0.33;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda_SNa";;;;;;;0.87;;-1.99;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM436761;MM436761;CN=c1n(C)cc(N)n1O;GLNVHCVPRDFUEE-UHFFFAOYSA-N;142.16;-0.82;;;;;DOPC;MDCG;27;1;"MARTINI bead: SP1_SP2";;;;;;;-1.06;;-6.31;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM436762;MM436762;C=CC1(C(=C)CNC)CC1;GGJORGGFHNXKGP-UHFFFAOYSA-N;137.23;1.73;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_SC4";;;;;;;2.2;;-1.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM436763;MM436763;NCCON=C(CO)CO;KCBSBWNSEOJKOA-UHFFFAOYSA-N;148.16;-1.7;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1_P5";;;;;;;-1.94;;-7.34;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM436764;MM436764;C=CC(=C)CC(O)CCC;LQRDPRORSXSSHI-UHFFFAOYSA-N;140.23;2.28;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda_C3";;;;;;;2.57;;0.44;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM436765;MM436765;C=C1C(C#N)CNN1C=N;JBPPHZHACGRANV-UHFFFAOYSA-N;136.16;0.07;;;;;DOPC;MDCG;27;1;"MARTINI bead: SP2_SP2";;;;;;;-1.34;;-6.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM436766;MM436766;C#CCC1OC1C(=O)CC;ZALYQTOZZIYTNV-UHFFFAOYSA-N;138.17;0.76;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_SNa";;;;;;;0.87;;-2.22;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM436767;MM436767;C#CC1C=C(C)C(C)(O)C1;VAXSGUPGPPWBHF-UHFFFAOYSA-N;136.19;1.34;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC5_SC5";;;;;;;2.41;;0.64;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM436768;MM436768;C=COC(C)OC(C)=NN;YJBNLNLNSFLVEU-UHFFFAOYSA-N;144.17;0.8;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_Nd";;;;;;;0.87;;-1.88;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM436769;MM436769;CCC=C1COC(=NO)C1;FLMUQKRPWXXVHF-UHFFFAOYSA-N;141.17;1.53;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC5_SP1";;;;;;;0.81;;-0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM436770;MM436770;C=C(CNC)C1(C#N)CC1;SYTWMQMFYNYIPR-UHFFFAOYSA-N;136.2;1.07;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_SN0";;;;;;;1.17;;-2.51;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM436771;MM436771;C=C1C(C#N)CNN1C=O;YFZLBGLVVFXOLQ-UHFFFAOYSA-N;137.14;-0.38;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP2_SP2";;;;;;;-1.34;;-4.31;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM436772;MM436772;C#CCC1OC1C(=O)CO;MKYCPKVUJUWUQY-UHFFFAOYSA-N;140.14;-0.66;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_SNa";;;;;;;-0.24;;-3.24;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM436773;MM436773;C=C(F)C(N)=NOC(C)=O;HVPGDZQDTRVMMU-UHFFFAOYSA-N;146.12;0.3;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_C5";;;;;;;0.81;;-0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM436774;MM436774;CCCC(=O)OC(C)=NN;MFLVHJHIZCLFQU-UHFFFAOYSA-N;144.17;0.62;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_Nd";;;;;;;0.87;;-1.88;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM436775;MM436775;C=CC1(C(=C)COC)CC1;DFZHVAMJDYMLRF-UHFFFAOYSA-N;138.21;2.16;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_SC4";;;;;;;2.2;;0.34;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM436776;MM436776;NCC=C1COC(=NO)C1;VAWCGEKPXCHJSZ-UHFFFAOYSA-N;142.16;0.08;;;;;DOPC;MDCG;27;1;"MARTINI bead: SP1_SP1";;;;;;;-0.79;;-5.31;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM436777;MM436777;C#CC1CCC(C=C)C1=C;LDCADHLTCSONFB-UHFFFAOYSA-N;132.21;2.39;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC3_SC4";;;;;;;3.9;;0.47;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM436778;MM436778;C#CCC1OC1C(=N)NC;FGFARMYGSGGDKW-UHFFFAOYSA-N;138.17;-0.03;;;;;DOPC;MDCG;27;1;"MARTINI bead: P3_SNa";;;;;;;-1.1;;-7.49;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM436779;MM436779;C#CC(=O)CC1(C)CN1C;GBYZBBOGRLTNCJ-UHFFFAOYSA-N;137.18;0.28;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNd_Na";;;;;;;0.87;;-1.88;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM436780;MM436780;CN=c1n(N)cc(C)n1O;ADTQOCZECCPRAI-UHFFFAOYSA-N;142.16;-0.92;;;;;DOPC;MDCG;27;1;"MARTINI bead: SP2_SP1";;;;;;;-1.06;;-5.32;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM436781;MM436781;C=C(COC)C1(C=O)CC1;XWAYAGFQLOLXTP-UHFFFAOYSA-N;140.18;1.17;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_SNa";;;;;;;0.87;;-2.22;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM436782;MM436782;CC=C1CNC(=NCC)C1;ZCELAVNFTWNJPS-UHFFFAOYSA-N;138.21;1.34;;;;;DOPC;MDCG;27;1;"MARTINI bead: SC5_SN0";;;;;;;1.94;;-1.98;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM436783;MM436783;C#CC1CCC(C#N)C1=C;UICSVEMDAVISRJ-UHFFFAOYSA-N;131.18;1.73;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC4_SC5";;;;;;;2.97;;0.45;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM436784;MM436784;C#CCC1OC1C(=C)OC;MRJKRLUITNHIMB-UHFFFAOYSA-N;138.17;0.94;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_SNa";;;;;;;0.87;;-2.22;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM436785;MM436785;CCC(CC)=NOCOC;FBYTZZJNCJXCFE-UHFFFAOYSA-N;145.2;1.78;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4_P2";;;;;;;1.09;;-0.38;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM436786;MM436786;CN=c1n(N)cc(N)n1O;RDOBVDHRRLHJHI-UHFFFAOYSA-N;143.15;-1.65;;;;;DOPC;MDCG;27;1;"MARTINI bead: SP2_SP2";;;;;;;-1.34;;-6.24;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM436787;MM436787;C=C(COC)C1(C#N)CC1;WWYMJLZOLKZMSW-UHFFFAOYSA-N;137.18;1.49;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_SN0";;;;;;;1.17;;-1.18;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM436788;MM436788;CCN=C1CC(=CF)CN1;LMLDGHUXOLQKCW-UHFFFAOYSA-N;142.18;1.25;;;;;DOPC;MDCG;27;1;"MARTINI bead: SC5_SP1";;;;;;;0.81;;-3.58;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM436789;MM436789;C#CC1NCC(C=C)C1=C;QJPBCYGWUHKUBS-UHFFFAOYSA-N;133.19;0.95;;;;;DOPC;MDCG;27;1;"MARTINI bead: SN0_SNd";;;;;;;1.17;;-2.96;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM436790;MM436790;C#CCN1CC1C(=C)CC;UYZTXGVONUVQGD-UHFFFAOYSA-N;135.21;1.27;;;;;DOPC;MDCG;27;0;"MARTINI bead: C3_SNd";;;;;;;2.57;;0.54;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM436791;MM436791;COCON=C(CN)CO;CRDROEHIANENNK-UHFFFAOYSA-N;148.16;-1.09;;;;;DOPC;MDCG;27;1;"MARTINI bead: P2_P4";;;;;;;-2.29;;-6.99;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM436792;MM436792;C=CC1(C(=N)NCC)CC1;MXPGVMADTYLUHH-UHFFFAOYSA-N;138.21;1.54;;;;;DOPC;MDCG;27;1;"MARTINI bead: P2_SC4";;;;;;;1.09;;-4.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM436793;MM436793;CCN=C1CC(=NN)CN1;UTYJPEGJBMGYCO-UHFFFAOYSA-N;140.19;-0.29;;;;;DOPC;MDCG;27;1;"MARTINI bead: SC5_SP2";;;;;;;0.54;;-3.4;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM436794;MM436794;C=C(COC)OC(C)=NN;MCDQRFMMXZUVOL-UHFFFAOYSA-N;144.17;0.46;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_C5";;;;;;;0.81;;-0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM436795;MM436795;C#CC1CNC(C=C)C1=C;WZQBROVYXHZBQY-UHFFFAOYSA-N;133.19;0.95;;;;;DOPC;MDCG;27;1;"MARTINI bead: SNd_SP1";;;;;;;0.04;;-4.63;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM436796;MM436796;C#CCN1CC1C(=C)CN;CVSJGRKXOGUOSI-UHFFFAOYSA-N;136.2;-0.18;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1_SNd";;;;;;;0.04;;-4.54;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM436797;MM436797;CCC(=NO)NOCCN;IDNGTMMAKWPJIB-UHFFFAOYSA-N;147.18;-0.34;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nda_P3";;;;;;;-1.1;;-5.05;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM436798;MM436798;C=CCC(=C)OC(C)=NN;FNKOMPGEFVCOCJ-UHFFFAOYSA-N;140.19;1.38;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_C2";;;;;;;1.72;;0.27;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM436799;MM436799;CCN=C1CC(=NO)CN1;TXUMNHKPKOFMNV-UHFFFAOYSA-N;141.17;0.23;;;;;DOPC;MDCG;27;1;"MARTINI bead: SC5_SP3";;;;;;;-0.33;;-4.22;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM436800;MM436800;CCNC(=O)C1(C#N)CC1;PNOIDRWMODHBDA-UHFFFAOYSA-N;138.17;0.43;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_SN0";;;;;;;0.34;;-1.53;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM436801;MM436801;C#CC1CNC(C#N)C1=C;VMUJHERGBJAEQU-UHFFFAOYSA-N;132.17;0.29;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP1_SP1";;;;;;;-0.79;;-3.13;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM436802;MM436802;CCC(=NO)NOCOC;JJMVOVPNUFXHIP-UHFFFAOYSA-N;148.16;0.31;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda_P2";;;;;;;-0.24;;-3.31;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM436803;MM436803;C=NNC=NCC=CC;STWIFNOTXZBJEV-UHFFFAOYSA-N;125.18;0.8;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4_P1";;;;;;;1.37;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM436804;MM436804;C=CC1(C(=N)NNC)CC1;QGNNVQBKTCSIQU-UHFFFAOYSA-N;139.2;0.65;;;;;DOPC;MDCG;27;1;"MARTINI bead: P4_SC4";;;;;;;0.15;;-5.07;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM436805;MM436805;Cc1nn(C)c(=NO)n1C;YYYHADDCLRNEEX-UHFFFAOYSA-N;142.16;-0.64;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP1_SP3";;;;;;;-1.93;;-4.72;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM436806;MM436806;C=NN=C(NC)OC(C)C;NFEZNYRPNORUDZ-UHFFFAOYSA-N;143.19;0.6;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_C3";;;;;;;1.74;;0.29;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM436807;MM436807;C#CC1COC(C=C)C1=C;MEBVNIGLZVWVHP-UHFFFAOYSA-N;134.18;1.38;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNa_SN0";;;;;;;1.17;;-1.18;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM436808;MM436808;COC(CO)=NOCCO;BPJSTCKJVQZTEV-UHFFFAOYSA-N;149.15;-1.05;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_P1";;;;;;;-1.06;;-3.82;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM436809;MM436809;C#CCC1CN1C(=N)CC;IIQBCNARMUSTSL-UHFFFAOYSA-N;136.2;1.08;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1_SP1";;;;;;;-0.79;;-6.86;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM436810;MM436810;CNC1=CC(=O)C(=N)N1;HKZUNIIFOHTKIJ-UHFFFAOYSA-N;125.13;-0.8;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP1_SP2";;;;;;;-1.06;;-3.82;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM436811;MM436811;CN=c1n(C)nc(N)n1C;OGMJGLKOYGDEMX-UHFFFAOYSA-N;141.18;-1.13;;;;;DOPC;MDCG;27;1;"MARTINI bead: SP2_SP2";;;;;;;-1.34;;-7.53;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM436812;MM436812;CC=C1COC(=CCC)C1;GBPIIBSWVXNPJK-UHFFFAOYSA-N;138.21;2.65;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC5_SN0";;;;;;;1.94;;0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM436813;MM436813;CCC(=NOCOC)OC;VRNIQRGDRKAQDZ-UHFFFAOYSA-N;147.17;0.98;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_P1";;;;;;;0.81;;-0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM436814;MM436814;C#CC1COC(C#N)C1=C;DFSYHTOGYUKHNK-UHFFFAOYSA-N;133.15;0.71;;;;;DOPC;MDCG;27;0;"MARTINI bead: SN0_SNa";;;;;;;1.17;;-1.18;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM436815;MM436815;C#CCC1CN1C(=O)CC;WYXVCNCGZYUKRP-UHFFFAOYSA-N;137.18;0.63;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_SP1";;;;;;;-1.06;;-3.82;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM436816;MM436816;CC1CC1(O)CC1CC1;QWFPRAMXCCWHOK-UHFFFAOYSA-N;126.2;1.56;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNda_SC5";;;;;;;1.64;;0.05;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM436817;MM436817;CC=C1COC(=CCN)C1;KVXQNRZZFSQTHM-UHFFFAOYSA-N;139.2;1.2;;;;;DOPC;MDCG;27;1;"MARTINI bead: SN0_SP1";;;;;;;0.34;;-3.71;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM436818;MM436818;Cn1nc(N)n(C)c1=NN;JPAXOZBDUUXZAK-UHFFFAOYSA-N;142.17;-1.88;;;;;DOPC;MDCG;27;1;"MARTINI bead: SP2_SP3";;;;;;;-2.2;;-8.02;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM436819;MM436819;COCON=C(CF)OC;OVLSWQOUTXIVNQ-UHFFFAOYSA-N;151.14;0.54;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_Na";;;;;;;0.04;;-2.54;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM436820;MM436820;C#CCC1CN1C(=N)NC;VBYAGXBLDKTSEP-UHFFFAOYSA-N;137.19;-0.15;;;;;DOPC;MDCG;27;1;"MARTINI bead: P3_SP1";;;;;;;-1.93;;-8.73;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM436821;MM436821;C#CC1CCN(C=N)C1=C;OXVIMGDTAXHXFA-UHFFFAOYSA-N;134.18;1.06;;;;;DOPC;MDCG;27;1;"MARTINI bead: SP1_SNd";;;;;;;0.04;;-5.97;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM436822;MM436822;NCC=C1CC(=CF)CO1;VBOBNTIWIWKIOD-UHFFFAOYSA-N;143.16;1.1;;;;;DOPC;MDCG;27;1;"MARTINI bead: SP1_SNa";;;;;;;0.04;;-4.71;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM436823;MM436823;Cn1nc(N)n(C)c1=NO;RUJWOYGQEFRMML-UHFFFAOYSA-N;143.15;-1.37;;;;;DOPC;MDCG;27;1;"MARTINI bead: SP2_SP3";;;;;;;-2.2;;-8.37;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM436824;MM436824;CNNC(=O)C1(C#N)CC1;PQFZSSYRXDCNNB-UHFFFAOYSA-N;139.16;-0.46;;;;;DOPC;MDCG;27;0;"MARTINI bead: P4_SN0";;;;;;;-0.88;;-3.74;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM436825;MM436825;CNC(=NOCCN)NC;XXDVVSACOHEOBN-UHFFFAOYSA-N;146.19;-1.33;;;;;DOPC;MDCG;27;1;"MARTINI bead: P2_P1";;;;;;;-1.06;;-5.28;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM436826;MM436826;C#CCC1CN1C(=N)NO;LSHYBYUEKHWNFF-UHFFFAOYSA-N;139.16;-0.39;;;;;DOPC;MDCG;27;1;"MARTINI bead: P4_SP1";;;;;;;-2.01;;-7.57;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM436827;MM436827;C#CC1CCN(C=O)C1=C;FDMKUGIEVLCJRE-UHFFFAOYSA-N;135.17;0.61;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP1_SNda";;;;;;;0.04;;-2.73;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM436828;MM436828;C=CC1(C(=N)NOC)CC1;AGYIVGTWXBHFBE-UHFFFAOYSA-N;140.19;1.08;;;;;DOPC;MDCG;27;1;"MARTINI bead: P3_SC4";;;;;;;0.23;;-2.98;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM436829;MM436829;N#CC(O)(C=O)CC(=O)O;RVVGBCHCXGKBTH-UHFFFAOYSA-N;143.1;-1.09;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_P2";;;;;;;-1.06;;-8.81;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM436830;MM436830;CCC=C1CC(=NN)CO1;OPMLDJUSWBDMMM-UHFFFAOYSA-N;140.19;1.02;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC5_SP1";;;;;;;0.81;;-0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM436831;MM436831;CNC(=NOCCN)NO;NJVBPZHUAUSIDV-UHFFFAOYSA-N;148.17;-1.57;;;;;DOPC;MDCG;27;1;"MARTINI bead: P3_P1";;;;;;;-1.93;;-6.07;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM436832;MM436832;C=CC(=C)C1CC1CCC;SKVGJTLOSQFUHH-UHFFFAOYSA-N;136.24;3.16;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC2_C3";;;;;;;4.53;;0.32;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM436833;MM436833;C#CC1CNN(C=N)C1=C;MECSAXAJBGMYTE-UHFFFAOYSA-N;135.17;0.18;;;;;DOPC;MDCG;27;1;"MARTINI bead: SP2_SP2";;;;;;;-1.34;;-6.55;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM436834;MM436834;O=Cn1onc(O)c1=O;GCHVSLCKJFNUOI-UHFFFAOYSA-N;130.06;-1.42;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP1_SP2";;;;;;;-1.06;;-8.81;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM436835;MM436835;O=C(O)C#CC(O)CO;YJJVXYUNRYJMDY-UHFFFAOYSA-N;130.1;-1.57;;;;;DOPC;MDCG;27;0;"MARTINI bead: P3_P1";;;;;;;-1.93;;-8.96;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM436836;MM436836;CCC=C1CC(=NO)CO1;HPMPXIMTBGQABI-UHFFFAOYSA-N;141.17;1.53;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC5_SP2";;;;;;;0.54;;-1.09;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM436837;MM436837;C#CC(=O)OC(C)=NNC;LGHQSNAABFDYGK-UHFFFAOYSA-N;140.14;-0.28;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nd_P1";;;;;;;0.04;;-2.63;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM436838;MM436838;C=CC(=C)C1CC1CCN;AIIGXMNHXWUVNQ-UHFFFAOYSA-N;137.23;1.71;;;;;DOPC;MDCG;27;1;"MARTINI bead: SNd_C3";;;;;;;2.57;;-1.51;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM436839;MM436839;C#CC1CNN(C=O)C1=C;WMSOFIMYHWISFE-UHFFFAOYSA-N;136.15;-0.27;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP2_SP2";;;;;;;-1.34;;-4.31;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM436840;MM436840;NCC=C1CC(=NO)CO1;XSQSAHQAAWFFSO-UHFFFAOYSA-N;142.16;0.08;;;;;DOPC;MDCG;27;1;"MARTINI bead: SP1_SP2";;;;;;;-1.06;;-5.92;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM436841;MM436841;C=NN=CC(F)(F)C(=O)O;IMNUNTMPNPLQDW-UHFFFAOYSA-N;150.08;0.39;;;;;DOPC;MDCG;27;0;"MARTINI bead: N0_P1";;;;;;;0.34;;-6.41;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM436842;MM436842;CC(O)C#CC(=O)C(=O)O;ZACKRKDSOYVEOV-UHFFFAOYSA-N;142.11;-0.98;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_P1";;;;;;;-0.79;;-8.39;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM436843;MM436843;CCC1(C)C(C)C1C(C)O;ZFFPYPMHSYJIMS-UHFFFAOYSA-N;142.24;2.05;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC3_P1";;;;;;;1.74;;0.29;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM436844;MM436844;C#CC1CNC(C#C)C1=C;KJKIIFJZWLBQSM-UHFFFAOYSA-N;131.18;0.4;;;;;DOPC;MDCG;27;1;"MARTINI bead: SP1_SNd";;;;;;;0.04;;-4.08;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM436845;MM436845;CC1C2CC(=O)C(=N)N12;CZYUDSWGLZTNNH-UHFFFAOYSA-N;124.14;0.01;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP2_SP1";;;;;;;-1.06;;-3.82;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM436846;MM436846;CCC=C1CCC(=NC)N1;DKDSPWSXPVPDHP-UHFFFAOYSA-N;138.21;1.69;;;;;DOPC;MDCG;27;1;"MARTINI bead: SC5_SN0";;;;;;;1.94;;-2.41;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM436847;MM436847;C#CCC(=O)OC(C)=NN;XNSGQCNCOWYRIU-UHFFFAOYSA-N;140.14;-0.16;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_N0";;;;;;;0.34;;-1.53;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM436848;MM436848;C=CC1(C(=C)OCC)CC1;YLBPLVXZOZIKQL-UHFFFAOYSA-N;138.21;2.5;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_SC4";;;;;;;2.97;;0.45;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM436849;MM436849;CC=C1CCC(CC)C1C;GGISCLYTTIZBEA-UHFFFAOYSA-N;138.25;3.39;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC1_SC1";;;;;;;4.95;;0.69;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM436850;MM436850;NCCON=C(NO)NO;QYLMKOOAHLMPHJ-UHFFFAOYSA-N;150.14;-1.81;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1_P5";;;;;;;-1.94;;-7.25;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM436851;MM436851;C=C(C#N)C1CC1CCC;XQSIJCGMZIUCQN-UHFFFAOYSA-N;135.21;2.5;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC2_N0";;;;;;;3.13;;0.3;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM436852;MM436852;CN=C1CCC(=CCN)N1;FEUBNMHMDIAKIP-UHFFFAOYSA-N;139.2;0.24;;;;;DOPC;MDCG;27;1;"MARTINI bead: SNd_SNd";;;;;;;0.87;;-5.64;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM436853;MM436853;C=C(OCC)C1(C=O)CC1;LVRJKYNAEMCHSJ-UHFFFAOYSA-N;140.18;1.52;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_SNa";;;;;;;1.64;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM436854;MM436854;CN=c1n(C)nc(N)n1N;NAKHPZUFNXMEGQ-UHFFFAOYSA-N;142.17;-1.95;;;;;DOPC;MDCG;27;1;"MARTINI bead: SP2_SP3";;;;;;;-2.2;;-8.26;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM436855;MM436855;CCC1CCC(=CF)C1C;WKKZJCFJISDGPX-UHFFFAOYSA-N;142.22;3.3;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC1_SC3";;;;;;;4.61;;0.31;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM436856;MM436856;C#CCCC(O)C(C)(C)C;PUNKMAROZTUPIL-UHFFFAOYSA-N;140.23;1.81;;;;;DOPC;MDCG;27;0;"MARTINI bead: C3_Nda";;;;;;;2.57;;0.44;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM436857;MM436857;CCC(=NNC)OC(C)=O;NDOVUTQIZMHTKT-UHFFFAOYSA-N;144.17;0.49;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_P1";;;;;;;0.81;;-0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM436858;MM436858;CCC=C1CCC(=NN)N1;OFAOSUNPDOSHRY-UHFFFAOYSA-N;139.2;0.94;;;;;DOPC;MDCG;27;1;"MARTINI bead: SC5_SNd";;;;;;;1.64;;-1.24;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM436859;MM436859;C=C(OCC)C1(C#N)CC1;BAUQOHMGHLVFBC-UHFFFAOYSA-N;137.18;1.84;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_SN0";;;;;;;1.94;;0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM436860;MM436860;Cn1nc(N)n(N)c1=NN;ZXAXFXRFZYWEHK-UHFFFAOYSA-N;143.15;-2.71;;;;;DOPC;MDCG;27;1;"MARTINI bead: SP2_SP2";;;;;;;-1.34;;-7.18;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM436861;MM436861;CC(=O)C(C)CN(C)C=O;VFWGVMYJUBEKHQ-UHFFFAOYSA-N;143.19;0.3;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_Na";;;;;;;-0.24;;-3.24;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM436862;MM436862;CC=C1CCC(CN)C1C;GUYJEUIDQGSDAN-UHFFFAOYSA-N;139.24;1.94;;;;;DOPC;MDCG;27;1;"MARTINI bead: SC1_SC5";;;;;;;3.68;;0.56;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM436863;MM436863;CNC(=NOCCN)OC;DCMWOJXVYJXSRJ-UHFFFAOYSA-N;147.18;-0.9;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1_P1";;;;;;;-0.79;;-4.49;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM436864;MM436864;NN=CON=CCC(F)F;PTWCKAUPZFWCNS-UHFFFAOYSA-N;151.12;0.55;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_N0";;;;;;;0.34;;-1.53;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM436865;MM436865;C=CC1(C(=C)CCC)CN1;QUVGKVBWUWKWLL-UHFFFAOYSA-N;137.23;1.87;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1_SP1";;;;;;;2.08;;0.51;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM436866;MM436866;N=c1[nH]nnc(=O)n1O;HNHJCSDNHBDMRM-UHFFFAOYSA-N;129.08;-2.32;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP3_SP4";;;;;;;-3.15;;-10.28;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM436867;MM436867;CCC(=O)N(C)N=C(C)N;NBZBTMKPKCCMPJ-UHFFFAOYSA-N;143.19;0.15;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_P2";;;;;;;-0.24;;-3.24;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM436868;MM436868;CC1C(=CF)CCC1CN;REEODYOYDUUMGT-UHFFFAOYSA-N;143.21;1.84;;;;;DOPC;MDCG;27;1;"MARTINI bead: SC5_SC3";;;;;;;3.34;;0.34;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM436869;MM436869;CNN=C(C#N)C=C(N)N;BCZQYWBRPFFKSS-UHFFFAOYSA-N;139.16;-1.16;;;;;DOPC;MDCG;27;0;"MARTINI bead: P3_Nd";;;;;;;-1.1;;-3.93;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM436870;MM436870;C=CC1(C(=C)CNC)CN1;ILMFMSAYCUGNQL-UHFFFAOYSA-N;138.21;0.29;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_SP1";;;;;;;0.04;;-4.74;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM436871;MM436871;NCC=C1CCC(=NO)N1;OQHOSSWFERIOFY-UHFFFAOYSA-N;141.17;;;;;;DOPC;MDCG;27;1;"MARTINI bead: SNd_SP1";;;;;;;0.04;;-3.94;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM436872;MM436872;CC=Nn1oc(O)nc1=N;NFMICORBORCQCN-UHFFFAOYSA-N;142.12;-0.49;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP2_SP1";;;;;;;-1.06;;-8.81;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM436873;MM436873;CC=C1CCC(CC)C1N;FUSKMHPWVKFGQX-UHFFFAOYSA-N;139.24;2.08;;;;;DOPC;MDCG;27;1;"MARTINI bead: SC1_SC5";;;;;;;3.68;;0.58;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM436874;MM436874;C=CC(=C)C1CC1COC;BDWJYKYGXDNXLX-UHFFFAOYSA-N;138.21;2.01;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNa_C3";;;;;;;2.57;;0.45;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM436875;MM436875;N=c1nc(N)oc(C=O)n1;DDUGQWAYZGKKCT-UHFFFAOYSA-N;140.1;-1.06;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_SP4";;;;;;;-2.29;;-5.95;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM436876;MM436876;CC=C1CCC(=NCC)N1;PXYHDYRHNBULFR-UHFFFAOYSA-N;138.21;1.69;;;;;DOPC;MDCG;27;1;"MARTINI bead: SC5_SC5";;;;;;;2.41;;-1.09;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM436877;MM436877;C=C(COC)C1(C#N)CN1;GJOIZDCSCUXLIL-UHFFFAOYSA-N;138.17;0.05;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_SP1";;;;;;;-0.79;;-3.13;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM436878;MM436878;CN=c1n(N)nc(N)n1N;CZOLDOFYEWCGKV-UHFFFAOYSA-N;143.15;-2.78;;;;;DOPC;MDCG;27;1;"MARTINI bead: SP3_SP3";;;;;;;-3.07;;-7.71;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM436879;MM436879;NCC1CCC(=CF)C1N;GXIGFVYOVXJOIW-UHFFFAOYSA-N;144.19;0.54;;;;;DOPC;MDCG;27;1;"MARTINI bead: SC5_SNda";;;;;;;1.64;;-2.5;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM436880;MM436880;C=C(C=O)C1CC1NCC;SXBSFLXLTDRIQF-UHFFFAOYSA-N;139.2;0.74;;;;;DOPC;MDCG;27;1;"MARTINI bead: SNd_Na";;;;;;;0.87;;-4.39;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM436881;MM436881;COC(=NOCCN)NO;VXMBVYSYKKHHTK-UHFFFAOYSA-N;149.15;-1.14;;;;;DOPC;MDCG;27;1;"MARTINI bead: P2_P1";;;;;;;-1.06;;-5.18;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM436882;MM436882;CCN=C1CCC(=CF)N1;BEVYAQWALFQADT-UHFFFAOYSA-N;142.18;1.6;;;;;DOPC;MDCG;27;1;"MARTINI bead: SC5_SNa";;;;;;;1.64;;-1.58;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM436883;MM436883;CCNC(=O)C1(C#N)CN1;KLUHAMNIBLRHKI-UHFFFAOYSA-N;139.16;-1.01;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_SP2";;;;;;;-1.06;;-3.82;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM436884;MM436884;CC1=C(F)C=NC1=CO;XSELZWVMYAFYQG-UHFFFAOYSA-N;127.12;1.71;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNa_SNda";;;;;;;0.87;;-7.34;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM436885;MM436885;CCC1CCC(=NN)C1C;IKVARIHGAKXISB-UHFFFAOYSA-N;140.23;1.76;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC1_SC5";;;;;;;3.68;;0.46;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM436886;MM436886;C=C(C#CC)OC=NNC;VQDRMPKMMYXDLF-UHFFFAOYSA-N;138.17;0.7;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_C4";;;;;;;1.09;;-0.38;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM436887;MM436887;C=CC(=C)C1CC1OCC;PPMPVQNCJQUKQO-UHFFFAOYSA-N;138.21;2.15;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNa_C3";;;;;;;2.57;;0.45;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM436888;MM436888;CCN=C1CCC(=NC)N1;WUAQYNIFBIPZKM-UHFFFAOYSA-N;139.2;0.82;;;;;DOPC;MDCG;27;1;"MARTINI bead: SC5_SNd";;;;;;;1.64;;-1.57;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM436889;MM436889;CC=CC(=O)OC(C)=NN;PMQCMFDVSZMGPA-UHFFFAOYSA-N;142.16;0.4;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_Nd";;;;;;;0.87;;-1.88;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM436890;MM436890;CCC1CCC(=NO)C1C;TVNHQNBKGCMHJF-UHFFFAOYSA-N;141.21;2.27;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC1_SNda";;;;;;;2.91;;0.57;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM436891;MM436891;C=NOC1CC1C(C)=O;QSJNPXRXNGKFOG-UHFFFAOYSA-N;127.14;0.6;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_SNa";;;;;;;0.04;;-2.54;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM436892;MM436892;CCCON=C(OC)OC;MQJJMKDIMKGRRH-UHFFFAOYSA-N;147.17;0.98;;;;;DOPC;MDCG;27;0;"MARTINI bead: C3_P1";;;;;;;1.74;;0.29;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM436893;MM436893;CCOC1CC1C(=O)C=O;RZMDKWTVLYBQNN-UHFFFAOYSA-N;142.15;0.18;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNa_P1";;;;;;;0.04;;-2.54;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM436894;MM436894;CCC=C1CNC(=NC)N1;YVKLYQGPEYAHEC-UHFFFAOYSA-N;139.2;0.46;;;;;DOPC;MDCG;27;1;"MARTINI bead: SP1_SP1";;;;;;;-0.79;;-7.1;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM436895;MM436895;CN=c1n(O)nc(N)n1N;YDMBVVIKIYYRNF-UHFFFAOYSA-N;144.14;-2.25;;;;;DOPC;MDCG;27;1;"MARTINI bead: SP2_SP2";;;;;;;-1.34;;-5.89;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM436896;MM436896;C=NNCC1(C#N)CN1;WTPZTSLUMNRUFR-UHFFFAOYSA-N;124.15;-0.94;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_SP2";;;;;;;-1.34;;-4.31;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM436897;MM436897;CC1C(=NO)CCC1CN;ADDJLSBBNHWSIK-UHFFFAOYSA-N;142.2;0.82;;;;;DOPC;MDCG;27;1;"MARTINI bead: SC5_SNda";;;;;;;1.64;;-2.6;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM436898;MM436898;COC(=NOCCN)OC;XDXYPADKOQWJCL-UHFFFAOYSA-N;148.16;-0.47;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1_P1";;;;;;;-0.79;;-4.59;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM436899;MM436899;C=CC(=C)C1NC1CCN;OBIRXWTUWUILOA-UHFFFAOYSA-N;138.21;0.42;;;;;DOPC;MDCG;27;1;"MARTINI bead: SP2_C4";;;;;;;1.09;;-2.78;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM436900;MM436900;CN=C1NCC(=CCN)N1;AYKMKVOFOUJOGD-UHFFFAOYSA-N;140.19;-0.99;;;;;DOPC;MDCG;27;1;"MARTINI bead: SP1_SP3";;;;;;;-1.93;;-8.35;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM436901;MM436901;CC(=NN)OC(=O)C=CF;STWCLISERZDXLB-UHFFFAOYSA-N;146.12;0.3;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nd_Na";;;;;;;0.87;;-1.88;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM436902;MM436902;CCC1CCC(=NO)C1N;NDDQTOLZBDVJMQ-UHFFFAOYSA-N;142.2;0.96;;;;;DOPC;MDCG;27;1;"MARTINI bead: SC1_SP1";;;;;;;2.08;;-0.2;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM436903;MM436903;CNNC(=O)C1(C#N)CN1;BXLCFPZGQJXFOZ-UHFFFAOYSA-N;140.15;-1.9;;;;;DOPC;MDCG;27;0;"MARTINI bead: P4_SP2";;;;;;;-2.29;;-5.95;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM436904;MM436904;C=C(C(C)=O)C1NC1(C)C;LSQJHVPCGKSMRX-UHFFFAOYSA-N;139.2;0.88;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_SNd";;;;;;;0.87;;-1.88;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM436905;MM436905;C=CCCC=C(CC)CC;GSWJFFUYMFTTNK-UHFFFAOYSA-N;138.25;3.7;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1_C3";;;;;;;4.61;;0.31;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM436906;MM436906;CCC=C1CNC(=NN)N1;OFRBDZBUONWAJO-UHFFFAOYSA-N;140.19;-0.3;;;;;DOPC;MDCG;27;1;"MARTINI bead: SP1_SP2";;;;;;;-1.06;;-6.3;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM436907;MM436907;CN=c1n(C)nc(N)n1O;UUZNQDAXJLNLRE-UHFFFAOYSA-N;143.15;-1.43;;;;;DOPC;MDCG;27;1;"MARTINI bead: SP2_SP3";;;;;;;-2.2;;-6.4;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM436908;MM436908;NCC1CCC(=NO)C1N;ZJAHRDHJYKKLJO-UHFFFAOYSA-N;143.19;-0.49;;;;;DOPC;MDCG;27;1;"MARTINI bead: SC5_SP1";;;;;;;0.81;;-2.88;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM436909;MM436909;CNn1ccc(NN)n1;DVSNBMFJTIJZTF-UHFFFAOYSA-N;127.15;-0.66;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP1_SP1";;;;;;;-0.79;;-3.13;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM436910;MM436910;C=NNC=NC(C)CCF;ACWBRARTKGBYPN-UHFFFAOYSA-N;145.18;0.97;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4_P2";;;;;;;1.09;;-0.37;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM436911;MM436911;CCC(=CCCC=O)CC;RWQNRDHKMKBJNX-UHFFFAOYSA-N;140.23;2.71;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1_Na";;;;;;;2.91;;0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM436912;MM436912;CCN=C1CNC(=NC)N1;WQMBBNIBVNVWQC-UHFFFAOYSA-N;140.19;-0.42;;;;;DOPC;MDCG;27;1;"MARTINI bead: SP2_SP1";;;;;;;-1.06;;-6.42;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM436913;MM436913;CC=CC1C=CC(=O)O1;TZLLXDPPDTZWJU-UHFFFAOYSA-N;124.14;1.04;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC5_SNa";;;;;;;1.64;;-5.24;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM436914;MM436914;CNC1CCC(=CF)C1C;WHJKWVLRWQDMPX-UHFFFAOYSA-N;143.21;1.86;;;;;DOPC;MDCG;27;1;"MARTINI bead: SNd_SC3";;;;;;;2.57;;-1.98;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM436915;MM436915;C=NNC(=N)C(C)C#CC;OJQXOTCATBBUHS-UHFFFAOYSA-N;137.19;0.83;;;;;DOPC;MDCG;27;0;"MARTINI bead: C3_P2";;;;;;;1.46;;-0.15;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM436916;MM436916;NC(=O)C(F)=C(N)C(=O)O;JHTKVNYVYAMYEG-UHFFFAOYSA-N;148.09;-1.3;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_P1";;;;;;;-1.06;;-8.55;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM436917;MM436917;CCC(=CCCC#N)CC;MWZJUALKNHDOSY-UHFFFAOYSA-N;137.23;3.04;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1_P1";;;;;;;2.08;;0.48;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM436918;MM436918;CCN=C1CNC(=NN)N1;WNIRVSNRYIDOIT-UHFFFAOYSA-N;141.18;-1.17;;;;;DOPC;MDCG;27;1;"MARTINI bead: SP2_SP2";;;;;;;-1.34;;-5.51;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM436919;MM436919;C=C(C=NN)OC(C)=NN;IAFLPDQLHKSUIR-UHFFFAOYSA-N;142.16;-0.25;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nd_Nda";;;;;;;0.87;;-1.92;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM436920;MM436920;C=C(C(C)=O)C(C#N)NC;CPIHCZZEJXZYEP-UHFFFAOYSA-N;138.17;0.24;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_Na";;;;;;;-0.24;;-3.24;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM436921;MM436921;CC=C1CCC(NC)C1N;ACQYLMSGIIRVKC-UHFFFAOYSA-N;140.23;0.64;;;;;DOPC;MDCG;27;1;"MARTINI bead: SNd_SC5";;;;;;;1.64;;-2.63;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM436922;MM436922;O=C(O)C(CO)C(=O)O;PPVBGPLECSKJDX-UHFFFAOYSA-N;134.09;-1.24;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_P2";;;;;;;-1.06;;-8.55;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM436923;MM436923;C=CCCC=C(CC)CN;GGOMLOVHBMMXLX-UHFFFAOYSA-N;139.24;2.25;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_C3";;;;;;;2.57;;-0.97;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM436924;MM436924;C=C(C)CC=NOC=NN;QCYJIURZTSODFM-UHFFFAOYSA-N;141.17;0.86;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4_P1";;;;;;;1.37;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM436925;MM436925;CN=c1c(C)cn(C)n1C;XHPWQMQZMZVTQS-UHFFFAOYSA-N;139.2;0.2;;;;;DOPC;MDCG;27;1;"MARTINI bead: SP2_SN0";;;;;;;0.06;;-6;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM436926;MM436926;C=CC1(C(=C)OCC)CN1;TYUYZHYARZAHOJ-UHFFFAOYSA-N;139.2;1.06;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_SP1";;;;;;;0.81;;-0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM436927;MM436927;C=CC(=C)C1NC1CNC;MWDKEVFDVVZRTB-UHFFFAOYSA-N;138.21;0.29;;;;;DOPC;MDCG;27;1;"MARTINI bead: SP2_C4";;;;;;;1.09;;-2.48;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM436928;MM436928;CNC1CCC(=NN)C1C;XAWNPAWGEKLLQI-UHFFFAOYSA-N;141.22;0.32;;;;;DOPC;MDCG;27;1;"MARTINI bead: SNd_SC5";;;;;;;1.64;;-2.69;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM436929;MM436929;O=CON=CC(=O)CCF;OLACRYVFKRWFLR-UHFFFAOYSA-N;147.11;0.07;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_P1";;;;;;;0.04;;-2.54;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM436930;MM436930;CCC=C1COC(=NO)N1;FCQLPCLOLBLFRT-UHFFFAOYSA-N;142.16;0.65;;;;;DOPC;MDCG;27;0;"MARTINI bead: SN0_SP2";;;;;;;0.06;;-2.21;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM436931;MM436931;Cc1cn(C)n(C)c1=NN;PUOCLAMZXUEMRL-UHFFFAOYSA-N;140.19;-0.55;;;;;DOPC;MDCG;27;1;"MARTINI bead: SN0_SP2";;;;;;;0.06;;-3.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM436932;MM436932;CNC1CCC(=NO)C1C;IEMLKHVHFVWBPI-UHFFFAOYSA-N;142.2;0.83;;;;;DOPC;MDCG;27;1;"MARTINI bead: SNd_SNda";;;;;;;0.87;;-4.57;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM436933;MM436933;C=C(C#N)C1NC1CNC;LYTLPLXSRNYTOY-UHFFFAOYSA-N;137.19;-0.37;;;;;DOPC;MDCG;27;1;"MARTINI bead: SP2_N0";;;;;;;0.06;;-4.35;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM436934;MM436934;C=C(OCC)C1(C#N)CN1;QGQNWPUKQKWHRW-UHFFFAOYSA-N;138.17;0.4;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_SP2";;;;;;;0.54;;-1.09;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM436935;MM436935;C=NOC(C)=NNCCC;BVFPHAKEUGRRKW-UHFFFAOYSA-N;143.19;0.95;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nd_Na";;;;;;;0.87;;-1.88;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM436936;MM436936;C=C(F)CC=NOC=NN;GJDUQFKUMAAWNG-UHFFFAOYSA-N;145.14;0.76;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_C5";;;;;;;0.81;;-0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM436937;MM436937;CC#CC(C)OC(C)=NN;CYPIRLDPYFIDLY-UHFFFAOYSA-N;140.19;0.71;;;;;DOPC;MDCG;27;0;"MARTINI bead: C3_P2";;;;;;;1.46;;-0.15;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM436938;MM436938;CNC1CCC(=NO)C1N;CCLFPHDQBHDHBQ-UHFFFAOYSA-N;143.19;-0.47;;;;;DOPC;MDCG;27;1;"MARTINI bead: SNd_SP1";;;;;;;0.04;;-4.41;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM436939;MM436939;C=C(COC)C1(C#N)CO1;RIJYMASHYZMEFF-UHFFFAOYSA-N;139.15;0.48;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_SNa";;;;;;;0.04;;-2.54;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM436940;MM436940;C=CC(=C)C1OC1CCN;IEJHQVWYBHBGBN-UHFFFAOYSA-N;139.2;0.84;;;;;DOPC;MDCG;27;1;"MARTINI bead: SP1_C4";;;;;;;1.37;;-2.65;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM436941;MM436941;CC#CC(F)C(=N)NOC;JDUCCYHIVRLGHO-UHFFFAOYSA-N;144.15;0.48;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_C5";;;;;;;0.54;;-1.09;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM436942;MM436942;C=C(C)OC=NOC=NN;LNSDAVSXBQMVHF-UHFFFAOYSA-N;143.15;0.4;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_P2";;;;;;;0.54;;-1.09;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM436943;MM436943;CN=c1c(C)cn(N)n1C;DHDXQRTTWWCJNQ-UHFFFAOYSA-N;140.19;-0.62;;;;;DOPC;MDCG;27;1;"MARTINI bead: SP2_SNd";;;;;;;-0.24;;-6.53;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM436944;MM436944;CCNC(=O)C1(C#N)CO1;QBOOGHSIJXOIRC-UHFFFAOYSA-N;140.14;-0.58;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_SP1";;;;;;;-0.79;;-3.13;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM436945;MM436945;COC1CCC(=CF)C1C;CLKULHLDRCWAKG-UHFFFAOYSA-N;144.19;2.28;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC5_SC3";;;;;;;3.34;;0.48;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM436946;MM436946;C=CCCC=C(CC)CF;SORLDEICNKTDQF-UHFFFAOYSA-N;142.22;3.26;;;;;DOPC;MDCG;27;0;"MARTINI bead: C3_C3";;;;;;;4.27;;0.2;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM436947;MM436947;C=C(C=O)C1OC1CCC;SOOXGRXFCIMMLL-UHFFFAOYSA-N;140.18;1.31;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNa_Na";;;;;;;0.87;;-2.22;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM436948;MM436948;CCC=C1NC(=NO)CO1;BDUKOUFCRRGPHQ-UHFFFAOYSA-N;142.16;0.65;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNda_SP2";;;;;;;-0.24;;-3.31;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM436949;MM436949;Cc1cn(N)n(C)c1=NN;BXNHPDJKYQSRHU-UHFFFAOYSA-N;141.18;-1.38;;;;;DOPC;MDCG;27;1;"MARTINI bead: SNd_SP2";;;;;;;-0.24;;-4.38;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM436950;MM436950;CNNC(=O)C1(C=O)CO1;SVMZXZUJPZQKLE-UHFFFAOYSA-N;144.13;-1.8;;;;;DOPC;MDCG;27;0;"MARTINI bead: P4_SP2";;;;;;;-2.29;;-5.95;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM436951;MM436951;COC1CCC(=NN)C1C;TUZNNJQYYDFVSZ-UHFFFAOYSA-N;142.2;0.75;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC5_SC5";;;;;;;2.41;;0.64;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM436952;MM436952;CCC(=CCCC#N)CF;UQIBKSKWTVNHMC-UHFFFAOYSA-N;141.19;2.6;;;;;DOPC;MDCG;27;0;"MARTINI bead: C3_P1";;;;;;;1.74;;0.29;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM436953;MM436953;C=C(C#N)C1OC1CCC;OIPPBFJFFCSEDV-UHFFFAOYSA-N;137.18;1.63;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNa_N0";;;;;;;1.17;;-1.18;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM436954;MM436954;CC=C1CCC(=CCC)O1;FTWMQAJIBIBSCC-UHFFFAOYSA-N;138.21;2.99;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC5_SC5";;;;;;;2.41;;0.64;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM436955;MM436955;CC#CC(=O)OC(C)=NN;KRJGONMGHVMOQY-UHFFFAOYSA-N;140.14;-0.16;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_Nd";;;;;;;0.87;;-1.88;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM436956;MM436956;CNNC(=O)C1(C#N)CO1;LWCZTQKQGWIUGV-UHFFFAOYSA-N;141.13;-1.47;;;;;DOPC;MDCG;27;0;"MARTINI bead: P4_SP1";;;;;;;-2.01;;-5.13;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM436957;MM436957;CCC1CN=C(NC)C1C;KYXPNDOAKAZCDW-UHFFFAOYSA-N;140.23;1.28;;;;;DOPC;MDCG;27;1;"MARTINI bead: SC4_SNd";;;;;;;2.2;;-3.7;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM436958;MM436958;C=CCCC=C(CN)CO;UMJOBQUEZBTPDJ-UHFFFAOYSA-N;141.21;0.83;;;;;DOPC;MDCG;27;1;"MARTINI bead: P4_C3";;;;;;;0.52;;-3.38;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM436959;MM436959;C=CC(=O)C1OC1CCC;JHQCJPDWJIWPDU-UHFFFAOYSA-N;140.18;1.31;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNa_Na";;;;;;;0.87;;-2.22;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM436960;MM436960;CCC=C1CCC(=CF)O1;MXIUSASHEZGXML-UHFFFAOYSA-N;142.17;2.9;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC5_SNa";;;;;;;1.64;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM436961;MM436961;CN=c1c(C)cn(O)n1C;VIEKHTMZCURBIY-UHFFFAOYSA-N;141.17;-0.1;;;;;DOPC;MDCG;27;1;"MARTINI bead: SN0_SP1";;;;;;;0.34;;-3.56;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM436962;MM436962;N#CCNC=CC(=O)O;YQWYMIGZJQPSEC-UHFFFAOYSA-N;126.12;-0.3;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_P2";;;;;;;-1.06;;-8.55;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM436963;MM436963;C=CCCC=C(CN)CF;VHOGCWNIRHQTDS-UHFFFAOYSA-N;143.21;1.81;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1_C3";;;;;;;1.74;;-1.5;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM436964;MM436964;CCC1CN=C(NN)C1C;GLCUIDXXTKOFFL-UHFFFAOYSA-N;141.22;0.52;;;;;DOPC;MDCG;27;1;"MARTINI bead: SC4_SNd";;;;;;;2.2;;-2.03;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM436965;MM436965;CC(C)=CC=NOC=NN;ZVDHJRCKLMYKML-UHFFFAOYSA-N;141.17;0.86;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4_P1";;;;;;;1.37;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM436966;MM436966;CCCC1OC1C(=O)C=O;HXXAAJVDLYMYFY-UHFFFAOYSA-N;142.15;0.32;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNa_Na";;;;;;;0.87;;-2.22;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM436967;MM436967;Cc1cn(O)n(C)c1=NO;OSIAHOFECJTDNR-UHFFFAOYSA-N;143.15;-0.34;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNda_SP2";;;;;;;-0.24;;-3.31;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM436968;MM436968;C=NN(C=N)C(=O)C(=O)O;OFXJKBWJCMOSSB-UHFFFAOYSA-N;143.1;-0.88;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_P2";;;;;;;-1.06;;-8.55;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM436969;MM436969;CN=C1NCC(CN)C1C;QWKHRGGPOCHZKC-UHFFFAOYSA-N;141.22;-0.17;;;;;DOPC;MDCG;27;1;"MARTINI bead: SC5_SP2";;;;;;;0.54;;-5.26;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM436970;MM436970;O=CCCC=C(CO)CO;KXAXOMCSVYWJIP-UHFFFAOYSA-N;144.17;-0.12;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_Na";;;;;;;-0.24;;-3.24;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM436971;MM436971;CCC=C1CCC(=NO)O1;CHEBOYSSONELPK-UHFFFAOYSA-N;141.17;1.88;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC5_SP1";;;;;;;0.81;;-0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM436972;MM436972;C=C(C=O)C1CN1CCC;JZDYWBNCBUXKFN-UHFFFAOYSA-N;139.2;0.84;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNd_Na";;;;;;;0.87;;-1.88;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM436973;MM436973;CN=c1c(N)cn(C)n1C;HIHHYIYLSRGKIH-UHFFFAOYSA-N;140.19;-0.52;;;;;DOPC;MDCG;27;1;"MARTINI bead: SP2_SP1";;;;;;;-1.06;;-5.41;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM436974;MM436974;C=C(OCC)C1(C#N)CO1;NIWNOKBQLRUJME-UHFFFAOYSA-N;139.15;0.83;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_SP1";;;;;;;0.81;;-0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM436975;MM436975;CCC1CN=C(NC)C1N;MKRRWKDJFBFIKL-UHFFFAOYSA-N;141.22;-0.03;;;;;DOPC;MDCG;27;1;"MARTINI bead: SC4_SP1";;;;;;;1.37;;-2.84;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM436976;MM436976;C=CCCC=C(CF)CF;ZTIGCITZKSZCJM-UHFFFAOYSA-N;146.18;2.82;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_C3";;;;;;;3.34;;0.48;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM436977;MM436977;NCC=C1CCC(=NO)O1;UCRAMXBEOWKUHK-UHFFFAOYSA-N;142.16;0.43;;;;;DOPC;MDCG;27;1;"MARTINI bead: SP1_SP1";;;;;;;-0.79;;-5.26;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM436978;MM436978;N=C(N)C(=O)N(C=O)C=O;HZJXMPATMASQCY-UHFFFAOYSA-N;143.1;-1.94;;;;;DOPC;MDCG;27;0;"MARTINI bead: P3_P2";;;;;;;-2.2;;-5.19;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM436979;MM436979;Cn1cc(N)c(=NO)n1C;UMFQROACOYYMOI-UHFFFAOYSA-N;142.16;-0.76;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP1_SP2";;;;;;;-1.06;;-3.82;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM436980;MM436980;C=CCC(=C)C1(C#N)CC1;NTJJIJQBBOEOLW-UHFFFAOYSA-N;133.19;2.42;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4_SN0";;;;;;;2.5;;0.44;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM436981;MM436981;CNC1=NCC(NC)C1C;ZRNRZGBBWANJJG-UHFFFAOYSA-N;141.22;-0.16;;;;;DOPC;MDCG;27;1;"MARTINI bead: SNd_SNd";;;;;;;0.87;;-5.83;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM436982;MM436982;O=CCCC=C(CF)CF;LQWWAVVEPXVSOU-UHFFFAOYSA-N;148.15;1.83;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_Na";;;;;;;1.64;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM436983;MM436983;O=c1onc(O)oc1=NO;MFPGODTYNUVXHJ-UHFFFAOYSA-N;146.06;-1.38;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP3_SP2";;;;;;;-2.2;;-9.56;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM436984;MM436984;CN=c1c(N)cn(N)n1C;XMCVIZCGRLHFDB-UHFFFAOYSA-N;141.18;-1.35;;;;;DOPC;MDCG;27;1;"MARTINI bead: SP2_SP2";;;;;;;-1.34;;-5.44;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM436985;MM436985;C=CC(=N)N1CC1CCC;NCQBGEOAWFLDBZ-UHFFFAOYSA-N;138.21;1.63;;;;;DOPC;MDCG;27;1;"MARTINI bead: SN0_P2";;;;;;;0.06;;-5.86;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM436986;MM436986;CNC1CN=C(NN)C1C;CDQWYKQDCOENRP-UHFFFAOYSA-N;142.21;-0.91;;;;;DOPC;MDCG;27;1;"MARTINI bead: SNd_SNd";;;;;;;0.87;;-4.16;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM436987;MM436987;C=C(CC=O)C1(C#N)CC1;DVWJDSMDTDWWMB-UHFFFAOYSA-N;135.17;1.44;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_SN0";;;;;;;1.17;;-1.18;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM436988;MM436988;COC=C(C)OC(C)=NN;FBQWOLJXRVXFHE-UHFFFAOYSA-N;144.17;0.8;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_P2";;;;;;;0.54;;-1.09;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM436989;MM436989;N#CCCC=C(CF)CF;DMDKKOYLOUUEEB-UHFFFAOYSA-N;145.15;2.16;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_P1";;;;;;;0.81;;-0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM436990;MM436990;Oc1cc(F)no1;QJNPYMWGKDIRJN-UHFFFAOYSA-N;103.05;0.52;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNda_SNa";;;;;;;0.87;;-7.24;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM436991;MM436991;C=NNC=NC(C)C(C)C;ZXDHGDVWBIHPRI-UHFFFAOYSA-N;141.22;1.26;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1_P2";;;;;;;1.8;;0.41;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM436992;MM436992;CN=C1NCC(NC)C1N;ZUAHTKOZBCYJKA-UHFFFAOYSA-N;142.21;-1.47;;;;;DOPC;MDCG;27;1;"MARTINI bead: SP1_SP1";;;;;;;-0.79;;-5.44;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM436993;MM436993;C=CC1(C(=O)CC#N)CC1;AVEHFPXLNBTHEG-UHFFFAOYSA-N;135.17;1.44;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC4_Na";;;;;;;2.2;;0.34;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM436994;MM436994;C=CC=C(C)OC(C)=NN;DZKLVDIPNLYYRL-UHFFFAOYSA-N;140.19;1.38;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1_P2";;;;;;;1.8;;0.4;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM436995;MM436995;CCC(=CCNC=N)CC;CNGRHNXEIIRDOF-UHFFFAOYSA-N;140.23;1.93;;;;;DOPC;MDCG;27;1;"MARTINI bead: C1_P3";;;;;;;0.94;;-3.61;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM436996;MM436996;Oc1c(F)nnn1O;ZTOSLPAZWZPEDK-UHFFFAOYSA-N;119.06;-0.64;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP1_SP2";;;;;;;-1.06;;-8.75;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM436997;MM436997;CON=CNC(C)=C(F)F;VPLDOHVBUDTEJH-UHFFFAOYSA-N;150.13;1.29;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_C4";;;;;;;1.09;;-0.38;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM436998;MM436998;COC1CN=C(NN)C1C;YSLDVVJLCWFQGN-UHFFFAOYSA-N;143.19;-0.49;;;;;DOPC;MDCG;27;1;"MARTINI bead: SNa_SNd";;;;;;;0.87;;-3.35;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM436999;MM436999;Cn1c(=NO)c(N)cn1O;NQUDWYYYCZNJFW-UHFFFAOYSA-N;144.13;-1.06;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP2_SP2";;;;;;;-1.34;;-4.31;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM437000;MM437000;C=CC1(C(=C)NC=O)CC1;HLUPXVNYCYPIPT-UHFFFAOYSA-N;137.18;1.21;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC4_P2";;;;;;;1.09;;-0.38;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM437001;MM437001;CN(CC#N)N=CC(=O)O;MYAGUNHHWKUBDA-UHFFFAOYSA-N;141.13;-0.49;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_P1";;;;;;;-0.79;;-8.3;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM437002;MM437002;CCC(=CCNC=N)CN;MXEPWUNPLDMLSY-UHFFFAOYSA-N;141.22;0.48;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_P2";;;;;;;-0.24;;-7.16;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM437003;MM437003;C=CC(=O)N1CC1CCC;ZJRLCYXLVKNOSW-UHFFFAOYSA-N;139.2;1.18;;;;;DOPC;MDCG;27;0;"MARTINI bead: SN0_P2";;;;;;;0.06;;-2.21;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM437004;MM437004;Cn1cc(O)c(=NN)n1C;KUPFEDCTZSIPPF-UHFFFAOYSA-N;142.16;-1.16;;;;;DOPC;MDCG;27;1;"MARTINI bead: SP1_SP2";;;;;;;-1.06;;-5.12;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM437005;MM437005;CC=C1OCC(CC)C1C;QGQCDYYIDJGCJD-UHFFFAOYSA-N;140.23;2.58;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC5_SC4";;;;;;;2.97;;0.45;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM437006;MM437006;CCC(=CCNC=O)CN;GXIMVKAFLVOBOX-UHFFFAOYSA-N;142.2;0.03;;;;;DOPC;MDCG;27;1;"MARTINI bead: C5_P3";;;;;;;-0.33;;-3.93;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM437007;MM437007;C=C(NC=O)C1(C=O)CC1;IEHWBNISFMXKNA-UHFFFAOYSA-N;139.15;0.23;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_SNa";;;;;;;-0.24;;-3.24;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM437008;MM437008;Nc1non(C(=O)O)c1=O;VANYJYZCURYOEY-UHFFFAOYSA-N;145.07;-1.06;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP1_SP4";;;;;;;-2.01;;-9.07;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM437009;MM437009;C=CC(=O)N1CC1CCN;ODWXLEKTYAEREV-UHFFFAOYSA-N;140.19;-0.27;;;;;DOPC;MDCG;27;1;"MARTINI bead: SP2_P2";;;;;;;-1.34;;-6.66;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM437010;MM437010;CC=C1OCC(CC)C1N;GOAZDAGDBIZHFO-UHFFFAOYSA-N;141.21;1.27;;;;;DOPC;MDCG;27;1;"MARTINI bead: SC5_SNda";;;;;;;1.64;;-1.6;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM437011;MM437011;CN=c1c(O)cn(N)n1C;CRMMPDXRKGKVSC-UHFFFAOYSA-N;142.16;-1.22;;;;;DOPC;MDCG;27;1;"MARTINI bead: SP2_SP1";;;;;;;-1.06;;-8.24;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM437012;MM437012;C=COC=C(C#N)C(=O)O;CCZYUWURBVGLAC-UHFFFAOYSA-N;139.11;0.64;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_C5";;;;;;;0.81;;-5.6;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM437013;MM437013;N=CNCC=C(CO)CO;JJNHXZXLHHNLJJ-UHFFFAOYSA-N;144.17;-0.91;;;;;DOPC;MDCG;27;1;"MARTINI bead: P2_P3";;;;;;;-2.2;;-8.92;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM437014;MM437014;C=C(NC=O)C1(C#N)CC1;UVVJBQAMVOUTMO-UHFFFAOYSA-N;136.15;0.55;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_SN0";;;;;;;0.06;;-2.21;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM437015;MM437015;CCCC1CN1C(=O)C=O;IIBOQHZOJKHVRH-UHFFFAOYSA-N;141.17;0.2;;;;;DOPC;MDCG;27;0;"MARTINI bead: SN0_P3";;;;;;;-0.8;;-2.99;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM437016;MM437016;CC=C1OCC(NC)C1C;LYXOULUKIFCXFT-UHFFFAOYSA-N;141.21;1.14;;;;;DOPC;MDCG;27;1;"MARTINI bead: SP1_SC4";;;;;;;1.37;;-2.27;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM437017;MM437017;O=CNCC=C(CO)CO;WPKARBYULFXQBU-UHFFFAOYSA-N;145.16;-1.36;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_P3";;;;;;;-2.2;;-5.19;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM437018;MM437018;Cn1c(=NO)c(O)cn1N;BTHBVOXRHWEZOP-UHFFFAOYSA-N;144.13;-1.46;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP1_SP2";;;;;;;-1.06;;-3.82;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM437019;MM437019;C=CC=C1CCC(=CC)C1;PGJBARJUVNPCJX-UHFFFAOYSA-N;134.22;3.23;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC1_SC2";;;;;;;4.87;;0.53;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM437020;MM437020;NN=C1N=CC(=CF)N1;UDVQIRDYRSNGCK-UHFFFAOYSA-N;128.11;-0.3;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP2_SNda";;;;;;;-0.24;;-3.31;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM437021;MM437021;C=CC(=N)N1CC1CNC;IKWYNWRGJRFAEN-UHFFFAOYSA-N;139.2;0.05;;;;;DOPC;MDCG;27;1;"MARTINI bead: SP2_P2";;;;;;;-1.34;;-7.67;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM437022;MM437022;CC=C1CNC(CC)C1C;FUUHAAQKVXPELU-UHFFFAOYSA-N;139.24;1.95;;;;;DOPC;MDCG;27;1;"MARTINI bead: SNd_SN0";;;;;;;1.17;;-4.42;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM437023;MM437023;CC=C1CCC(=CC=O)C1;QLDGQZDAMJUQDQ-UHFFFAOYSA-N;136.19;2.24;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC1_SC5";;;;;;;3.68;;0.46;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM437024;MM437024;CN=c1c(O)cn(O)n1C;LKSNGYWNKYOEMB-UHFFFAOYSA-N;143.15;-0.7;;;;;DOPC;MDCG;27;1;"MARTINI bead: SP2_SP1";;;;;;;-1.06;;-7.15;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM437025;MM437025;C=CNC(=O)C1(C=C)CC1;CGGGEGCHGKROTO-UHFFFAOYSA-N;137.18;1.21;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_SC4";;;;;;;1.09;;-0.38;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM437026;MM437026;N=CNCC=C(CO)CF;DVMWJQWNHLEHQV-UHFFFAOYSA-N;146.17;0.07;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nda_P3";;;;;;;-1.1;;-7.71;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM437027;MM437027;CNCC1CN1C(=N)C#N;CTABQZREPPJFCQ-UHFFFAOYSA-N;138.17;-0.61;;;;;DOPC;MDCG;27;1;"MARTINI bead: SP2_P2";;;;;;;-1.34;;-5.75;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM437028;MM437028;CC=C1CNC(CN)C1C;VJENAOICZHALIY-UHFFFAOYSA-N;140.23;0.5;;;;;DOPC;MDCG;27;1;"MARTINI bead: SN0_SP1";;;;;;;0.34;;-4.39;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM437029;MM437029;C=NNCC=C(CC)CC;IJGWKZYBZNXXPK-UHFFFAOYSA-N;140.23;1.94;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1_P2";;;;;;;1.8;;0.41;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM437030;MM437030;CN=C1C=NC(=NN)N1;KTPPQHLFUTYIFR-UHFFFAOYSA-N;125.14;-1.08;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP1_SP2";;;;;;;-1.06;;-3.82;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM437031;MM437031;CC=C1CCC(=CC#N)C1;ONUFDHIZBCPPMI-UHFFFAOYSA-N;133.19;2.57;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC1_SC5";;;;;;;3.68;;0.46;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM437032;MM437032;Cn1c(=NO)c(O)cn1O;RSZJQRXNWJXWEP-UHFFFAOYSA-N;145.12;-0.94;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP1_SP2";;;;;;;-1.06;;-3.82;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM437033;MM437033;C=CCC1CC1C(=C)C=C;ZYGPWOPBMZYNJV-UHFFFAOYSA-N;134.22;2.94;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC4_C3";;;;;;;3.9;;0.47;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM437034;MM437034;CC1C(=CF)CNC1CN;PRXURXBKVFQCAB-UHFFFAOYSA-N;144.19;0.41;;;;;DOPC;MDCG;27;1;"MARTINI bead: SP1_SNa";;;;;;;0.04;;-5.02;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM437035;MM437035;C=CCC(O)C(=C)C(C)C;KCVNFLWFZMEVDJ-UHFFFAOYSA-N;140.23;2.14;;;;;DOPC;MDCG;27;0;"MARTINI bead: C2_Nda";;;;;;;2.83;;0.57;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM437036;MM437036;C=CNC(=O)C1(C=O)CC1;FPOPOJAQSCOMIL-UHFFFAOYSA-N;139.15;0.23;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_SNa";;;;;;;-0.24;;-3.24;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM437037;MM437037;C=CC=C1CCC(=CF)C1;YXINEQCRVIJVEZ-UHFFFAOYSA-N;138.19;3.14;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC4_SC2";;;;;;;4.16;;0.44;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM437038;MM437038;C=NN=C(C)OC(C)=NN;OAJNHZBGEDCBRO-UHFFFAOYSA-N;142.16;0.33;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_C5";;;;;;;0.54;;-1.09;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM437039;MM437039;C=CC(=C)C1CC1CC=O;ZSGMMALUTUSYNX-UHFFFAOYSA-N;136.19;1.95;;;;;DOPC;MDCG;27;0;"MARTINI bead: C3_SNa";;;;;;;2.57;;0.45;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM437040;MM437040;CC=C1CNC(CO)C1C;KNGLQXFWISXQEN-UHFFFAOYSA-N;141.21;0.53;;;;;DOPC;MDCG;27;1;"MARTINI bead: SN0_SP1";;;;;;;0.34;;-4.18;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM437041;MM437041;O=CC=C1CCC(=CF)C1;IBGBZNVSDZYQEK-UHFFFAOYSA-N;140.16;2.15;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC4_SC5";;;;;;;2.97;;0.45;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM437042;MM437042;C#CCc1nc(N)c(N)o1;IZMUQGICERWZDZ-UHFFFAOYSA-N;137.14;0.01;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNa_SP1";;;;;;;0.04;;-2.54;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM437043;MM437043;Cn1cc(F)c(=NO)n1C;XDMQKHOVXGPRGI-UHFFFAOYSA-N;145.14;-0.21;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNa_SP2";;;;;;;-0.24;;-3.24;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM437044;MM437044;C=CNC(=O)C1(C#N)CC1;JNDIGDOXULVTQZ-UHFFFAOYSA-N;136.15;0.55;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_SN0";;;;;;;0.06;;-2.21;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM437045;MM437045;C=CC(=C)C1CC1CC#N;WQZSATWEAXSVPQ-UHFFFAOYSA-N;133.19;2.28;;;;;DOPC;MDCG;27;0;"MARTINI bead: C3_SC5";;;;;;;3.34;;0.48;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM437046;MM437046;CCC1NCC(=NN)C1C;YNRJUOHMPCZOQX-UHFFFAOYSA-N;141.22;0.32;;;;;DOPC;MDCG;27;1;"MARTINI bead: SNd_SP2";;;;;;;-0.24;;-4.77;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM437047;MM437047;C#CC1C=CC(O)(CC)C1;CEEVLASUGNKUOF-UHFFFAOYSA-N;136.19;1.34;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC5_SC5";;;;;;;2.41;;0.64;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM437048;MM437048;N#CC=C1CCC(=CF)C1;OQNYDRBYISUPIS-UHFFFAOYSA-N;137.16;2.47;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC4_SC5";;;;;;;2.97;;0.45;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM437049;MM437049;CCC1(O)CC1C1CC1;SAALNLQVJZUYRP-UHFFFAOYSA-N;126.2;1.56;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNda_SC5";;;;;;;1.64;;0.05;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM437050;MM437050;C#CC=C(C)OC(C)=NN;AQVKCXKXJDDIAC-UHFFFAOYSA-N;138.17;0.83;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4_P2";;;;;;;1.09;;-0.38;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM437051;MM437051;C=CCC1CC1C(=C)C=O;XKKSZZCMWVHVLC-UHFFFAOYSA-N;136.19;1.95;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC4_Na";;;;;;;2.2;;0.34;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM437052;MM437052;CCC1NN=C(NC)C1C;FFGSLGYWLGNTGV-UHFFFAOYSA-N;141.22;0.54;;;;;DOPC;MDCG;27;1;"MARTINI bead: SNd_SP1";;;;;;;0.04;;-4.58;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM437053;MM437053;C=COCC=C(CC)CC;AWYQGGSATBFENC-UHFFFAOYSA-N;140.23;2.89;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1_Na";;;;;;;2.91;;0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM437054;MM437054;C=CC=C1CCC(=NN)C1;VMZFRJGCOXTYMT-UHFFFAOYSA-N;136.2;1.6;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNd_SC2";;;;;;;2.83;;0.62;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM437055;MM437055;CC(=O)CC1NC1(C)C=O;ROCNVGYKFAVNII-UHFFFAOYSA-N;141.17;-0.11;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_SP2";;;;;;;-1.06;;-3.82;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM437056;MM437056;N#CC1(C(=O)NC=N)CC1;MESRKQNLWFLGRK-UHFFFAOYSA-N;137.14;0.01;;;;;DOPC;MDCG;27;0;"MARTINI bead: P4_SN0";;;;;;;-0.88;;-3.74;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM437057;MM437057;C=CCC1CC1C(=C)C#N;GHXOQNAQYXMACJ-UHFFFAOYSA-N;133.19;2.28;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC4_N0";;;;;;;2.5;;0.44;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM437058;MM437058;CC=C1COC(CC)C1C;TUTVVHHTNXXKJC-UHFFFAOYSA-N;140.23;2.38;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC5_SC5";;;;;;;2.41;;0.64;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM437059;MM437059;CCC(=CCOC=O)CC;SNIDWGNSWXMCSL-UHFFFAOYSA-N;142.2;1.91;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1_P1";;;;;;;2.08;;0.48;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM437060;MM437060;C=CC=C1CCC(=NO)C1;ICSAWNRWOOCUAW-UHFFFAOYSA-N;137.18;2.11;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNda_SC2";;;;;;;2.83;;0.57;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM437061;MM437061;CCOC(CC(F)F)=NN;WEMUEMULVKWQMW-UHFFFAOYSA-N;152.14;0.95;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda_N0";;;;;;;1.17;;-1.13;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM437062;MM437062;N#CC1(C(=O)NC=O)CC1;QWBUFOBRGPUYGB-UHFFFAOYSA-N;138.13;-0.44;;;;;DOPC;MDCG;27;0;"MARTINI bead: P4_SN0";;;;;;;-0.88;;-3.74;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM437063;MM437063;C=C(C=O)C1CC1CC=O;UBHSSSOQXIHOLX-UHFFFAOYSA-N;138.17;0.97;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_SNa";;;;;;;0.87;;-2.22;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM437064;MM437064;CC=C1COC(CN)C1C;QCYRFEJZKVIQCY-UHFFFAOYSA-N;141.21;0.93;;;;;DOPC;MDCG;27;1;"MARTINI bead: SC5_SP1";;;;;;;0.81;;-2.54;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM437065;MM437065;O=CC=C1CCC(=NO)C1;OZIYSVJQDJHDJO-UHFFFAOYSA-N;139.15;1.13;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNda_SC5";;;;;;;1.64;;0.05;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM437066;MM437066;C=COCC=C(CC)CN;PMKIGLPUBGFLGM-UHFFFAOYSA-N;141.21;1.44;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_Na";;;;;;;0.87;;-4.13;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM437067;MM437067;C=CC#CC1NC1C=O;XCCAZCKIVLTWFB-UHFFFAOYSA-N;121.14;-0.28;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4_SP2";;;;;;;1.09;;-0.38;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM437068;MM437068;CN=c1c(C)cn(C)n1N;SGTUMYWCURYZSY-UHFFFAOYSA-N;140.19;-0.62;;;;;DOPC;MDCG;27;1;"MARTINI bead: SN0_SP2";;;;;;;0.06;;-4.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM437069;MM437069;C=C(C=O)C1CC1CC#N;FOLKUJRXCILLIQ-UHFFFAOYSA-N;135.17;1.29;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_SC5";;;;;;;1.64;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM437070;MM437070;CC=C1COC(CO)C1C;IAKPVOKMUSPKMS-UHFFFAOYSA-N;142.2;0.96;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC5_SP1";;;;;;;0.81;;-0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM437071;MM437071;N#CC=C1CCC(=NO)C1;DRDURFFPWVURBO-UHFFFAOYSA-N;136.15;1.45;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNda_SC5";;;;;;;1.64;;0.05;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM437072;MM437072;CCCC1CC1C(C)(C)O;XIDCZSZYIXJQCG-UHFFFAOYSA-N;142.24;2.19;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC2_Nda";;;;;;;2.83;;0.57;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM437073;MM437073;CCC(=CCOC=O)CO;SNZNMJFLOXUANJ-UHFFFAOYSA-N;144.17;0.49;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_P1";;;;;;;0.81;;-0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM437074;MM437074;C=NNC(=O)C1(C#N)CC1;RQMBUEDCRGCHGU-UHFFFAOYSA-N;137.14;0.02;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_SN0";;;;;;;0.06;;-2.21;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM437075;MM437075;C=CCC1CC1C(=O)C=C;SSUKCXWAHMIIGL-UHFFFAOYSA-N;136.19;1.95;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC4_Na";;;;;;;2.2;;0.34;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM437076;MM437076;CC1C(=NO)COC1CO;FVNYABJKSQXABE-UHFFFAOYSA-N;145.16;-0.16;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP1_SP1";;;;;;;-0.79;;-3.13;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM437077;MM437077;C=COC(=C)C1(C=C)CC1;JPEOGXDLAFYFJP-UHFFFAOYSA-N;136.19;2.63;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_SC4";;;;;;;2.97;;0.45;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM437078;MM437078;CN=c1c(C)cn(N)n1N;ZRIRYTXSTIMFFD-UHFFFAOYSA-N;141.18;-1.44;;;;;DOPC;MDCG;27;1;"MARTINI bead: SN0_SP2";;;;;;;0.06;;-3.73;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM437079;MM437079;CCC(=CCOC=O)CF;MMWBBWWPSZCIEN-UHFFFAOYSA-N;146.16;1.47;;;;;DOPC;MDCG;27;0;"MARTINI bead: C3_P1";;;;;;;1.74;;0.29;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM437080;MM437080;C=NN=C1CCC(=CC)C1;DCUMOHUFHSLUFK-UHFFFAOYSA-N;136.2;2.17;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC1_SC5";;;;;;;3.68;;0.46;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM437081;MM437081;C=CCC1CC1C(=O)C#N;CEGSQBCVZAKJFQ-UHFFFAOYSA-N;135.17;1.29;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC4_P1";;;;;;;1.37;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM437082;MM437082;CC=C1COC(OC)C1C;VFHIRFMJYQBAEP-UHFFFAOYSA-N;142.2;1.57;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNa_SC5";;;;;;;1.64;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM437083;MM437083;NCC(=CCOC=O)CN;VTDLJTJIQIQZNG-UHFFFAOYSA-N;144.17;-1;;;;;DOPC;MDCG;27;1;"MARTINI bead: P5_P1";;;;;;;-1.94;;-7.98;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM437084;MM437084;C=COC(=C)C1(C=O)CC1;BJVLAPGXQZDWEA-UHFFFAOYSA-N;138.17;1.64;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_SNa";;;;;;;1.64;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM437085;MM437085;C=NOC(=O)C(=O)CCC;IYNDAJAGJUHLEX-UHFFFAOYSA-N;143.14;0.51;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_P1";;;;;;;0.81;;-0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM437086;MM437086;C=NN=C1CCC(=CF)C1;YVIGCTRWFPNOST-UHFFFAOYSA-N;140.16;2.08;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC4_SC5";;;;;;;2.97;;0.45;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM437087;MM437087;N#CCC1CC1C(=O)C#N;CRQUVNJUDGATQD-UHFFFAOYSA-N;134.14;0.63;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_SC5";;;;;;;0.81;;-0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM437088;MM437088;COC1OCC(=CF)C1C;FLETXKXWVBUPPA-UHFFFAOYSA-N;146.16;1.48;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNa_SNa";;;;;;;0.87;;-2.22;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM437089;MM437089;C=COC(=C)C1(C#N)CC1;SABFUGOQDBMLGQ-UHFFFAOYSA-N;135.17;1.96;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_SN0";;;;;;;1.94;;0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM437090;MM437090;NCC(=CCOC=O)CO;QHCPOWMEBSGEGQ-UHFFFAOYSA-N;145.16;-0.96;;;;;DOPC;MDCG;27;1;"MARTINI bead: P4_P1";;;;;;;-2.01;;-6.96;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM437091;MM437091;COC(=NN)C(C)C(C)F;ZUAAWYKTCBEEDY-UHFFFAOYSA-N;148.18;0.9;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda_C5";;;;;;;1.64;;0.05;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM437092;MM437092;C=NN=C1CCC(=NO)C1;VXGFUCBCXCWMSO-UHFFFAOYSA-N;139.16;1.06;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNda_SC5";;;;;;;1.64;;0.05;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM437093;MM437093;C=CC(=C)C1CC1NC=N;LUGTUTWUQFTBSK-UHFFFAOYSA-N;136.2;1.31;;;;;DOPC;MDCG;27;1;"MARTINI bead: C3_SP1";;;;;;;1.74;;-3.34;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM437094;MM437094;CCC1ON=C(NN)C1C;GJDFIAUVSZJEJX-UHFFFAOYSA-N;143.19;0.21;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC5_SP1";;;;;;;0.81;;-0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM437095;MM437095;C=NOCC=C(CC)CC;FOVFZYQIAMFPMQ-UHFFFAOYSA-N;141.21;2.37;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1_P1";;;;;;;2.08;;0.48;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM437096;MM437096;C=CC=C1CNC(=NC)C1;SMLQDBZWTSAIKH-UHFFFAOYSA-N;136.2;1.12;;;;;DOPC;MDCG;27;1;"MARTINI bead: SNd_SN0";;;;;;;1.17;;-4.5;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM437097;MM437097;C=C(OC=O)C1(C#N)CC1;XOEZXYHRNAALMJ-UHFFFAOYSA-N;137.14;0.98;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_SN0";;;;;;;1.17;;-1.18;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM437098;MM437098;Cc1cn(O)n(N)c1=NO;TXKNGBQMJWRNMF-UHFFFAOYSA-N;144.13;-1.16;;;;;DOPC;MDCG;27;0;"MARTINI bead: SN0_SP2";;;;;;;0.06;;-2.21;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM437099;MM437099;C=NNC(=N)C=C(F)C#N;WLOTUXMQNXMCMX-UHFFFAOYSA-N;140.12;0.55;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_P2";;;;;;;0.54;;-1.09;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM437100;MM437100;C=CC(=C)C1CC1NN=C;FAPSPLRTJIWFDZ-UHFFFAOYSA-N;136.2;1.32;;;;;DOPC;MDCG;27;0;"MARTINI bead: C3_SNd";;;;;;;2.57;;0.53;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM437101;MM437101;C=C1CCC(CC)(CO)C1;BLTYXYWAIMMZKB-UHFFFAOYSA-N;140.23;2.12;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC4_SC4";;;;;;;3.53;;0.53;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM437102;MM437102;C=COC(=O)C1(C#N)CC1;VETWKUCRTDPGGX-UHFFFAOYSA-N;137.14;0.98;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_SN0";;;;;;;1.17;;-1.18;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM437103;MM437103;CN=C1CC(=CC=O)CN1;MZRURRQCEQMQSB-UHFFFAOYSA-N;138.17;0.13;;;;;DOPC;MDCG;27;1;"MARTINI bead: SNd_SP1";;;;;;;0.04;;-6.07;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM437104;MM437104;C=C(C(=NN)OC)C(C)C;KVSLGOUKENHLQE-UHFFFAOYSA-N;142.2;1.12;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda_C3";;;;;;;2.57;;0.44;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM437105;MM437105;CCC1CCC(=NC)N1C;SCNSZXCCDBIZJQ-UHFFFAOYSA-N;140.23;1.52;;;;;DOPC;MDCG;27;1;"MARTINI bead: SN0_SNd";;;;;;;1.17;;-5.24;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM437106;MM437106;C#CCC(C)C(O)C(C)C;DSMHCQRMYYKAOF-UHFFFAOYSA-N;140.23;1.66;;;;;DOPC;MDCG;27;0;"MARTINI bead: C3_Nda";;;;;;;2.57;;0.44;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM437107;MM437107;C=NOCC=C(CC)CF;BFITZQXIGAXVGO-UHFFFAOYSA-N;145.18;1.92;;;;;DOPC;MDCG;27;0;"MARTINI bead: C3_P1";;;;;;;1.74;;0.29;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM437108;MM437108;C=C(CCC)CC(C)(C)O;BRHRCTJDCMCRJE-UHFFFAOYSA-N;142.24;2.5;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1_Nda";;;;;;;2.91;;0.57;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM437109;MM437109;CN=C1CC(=CC#N)CN1;VCKGWIMTEKJMTQ-UHFFFAOYSA-N;135.17;0.46;;;;;DOPC;MDCG;27;1;"MARTINI bead: SNd_SP1";;;;;;;0.04;;-6.04;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM437110;MM437110;COC(=NN)C(C)=C(C)C;GXXCJDRYAKQONI-UHFFFAOYSA-N;142.2;1.26;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_C1";;;;;;;2.08;;0.48;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM437111;MM437111;C=COC1CC1C(=C)C=C;FDSQGHKANCZVLX-UHFFFAOYSA-N;136.19;2.28;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNa_C3";;;;;;;2.57;;0.45;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM437112;MM437112;CCC1CCC(=NN)N1C;ZGMAIEOZBDAEFK-UHFFFAOYSA-N;141.22;0.76;;;;;DOPC;MDCG;27;1;"MARTINI bead: SN0_SNd";;;;;;;1.17;;-2.96;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM437113;MM437113;CCC(=CCCC#N)OC;JWEBTEQYSJIYDT-UHFFFAOYSA-N;139.2;2.23;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4_P1";;;;;;;1.37;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM437114;MM437114;C=CC=C1CNC(=NN)C1;PGJYBSMICYTPFK-UHFFFAOYSA-N;137.19;0.36;;;;;DOPC;MDCG;27;1;"MARTINI bead: SNd_SN0";;;;;;;1.17;;-2.18;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM437115;MM437115;C=CC1(C(=C)CC#N)CN1;OGIOIMSWFQNLSC-UHFFFAOYSA-N;134.18;0.98;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP1_N0";;;;;;;0.34;;-1.53;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM437116;MM437116;C#CC(F)COC(C)=NN;LXESXKZBQAVUFS-UHFFFAOYSA-N;144.15;0.27;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_C5";;;;;;;0.54;;-1.09;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM437117;MM437117;C=CC(=C)C1CC1OC=O;HITYAGFYAURFAV-UHFFFAOYSA-N;138.17;1.29;;;;;DOPC;MDCG;27;0;"MARTINI bead: C3_SNa";;;;;;;2.57;;0.45;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM437118;MM437118;CC=CC(=O)C=NN=CN;YYWVRBGUMSCRQM-UHFFFAOYSA-N;139.16;0.1;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_Nd";;;;;;;0.87;;-1.88;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM437119;MM437119;C=CCCC=C(CN)OC;BDNLIUMZYSYGQQ-UHFFFAOYSA-N;141.21;1.44;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1_C3";;;;;;;1.74;;-0.8;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM437120;MM437120;CC(F)=CC=NOC=NN;UHDLMQJAGIFWAH-UHFFFAOYSA-N;145.14;0.76;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_P1";;;;;;;0.81;;-0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM437121;MM437121;C=C(CCF)CC(C)(C)O;SDCLUXSMUKHGKG-UHFFFAOYSA-N;146.21;2.06;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda_C4";;;;;;;2.2;;0.49;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM437122;MM437122;C=C(CF)COC(C)=NN;QXJPWQRAEILTOG-UHFFFAOYSA-N;146.17;0.82;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_C4";;;;;;;1.09;;-0.38;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM437123;MM437123;CCC1CNC(=NC)N1C;FKNVKQYTDPVVET-UHFFFAOYSA-N;141.22;0.29;;;;;DOPC;MDCG;27;1;"MARTINI bead: SP1_SNd";;;;;;;0.04;;-7.24;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM437124;MM437124;C=COC1CC1C(=C)C=O;NPZLCYOKNVZFNF-UHFFFAOYSA-N;138.17;1.29;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNa_Na";;;;;;;0.87;;-2.22;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM437125;MM437125;COC(=CCCC=O)CO;ZCVHMVVVRQAJGV-UHFFFAOYSA-N;144.17;0.49;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_C5";;;;;;;0.54;;-1.09;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM437126;MM437126;C=C(NC=O)C1(C#N)CN1;ZAIWQFZNTXHBAT-UHFFFAOYSA-N;137.14;-0.89;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_SP2";;;;;;;-1.34;;-4.31;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM437127;MM437127;C=NNC(=N)CC#CC=O;SSTAWEGWTWVCGH-UHFFFAOYSA-N;137.14;-0.24;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_C5";;;;;;;0.54;;-1.09;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM437128;MM437128;C=C(COC(C)=NN)OC;YLZPUDQAOJZLHK-UHFFFAOYSA-N;144.17;0.46;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_P2";;;;;;;0.54;;-1.09;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM437129;MM437129;C=COC1CC1C(=C)C#N;UEHSOYILENOLRD-UHFFFAOYSA-N;135.17;1.61;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNa_N0";;;;;;;1.17;;-1.18;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM437130;MM437130;CCC1CNC(=NN)N1C;JYWSSAGRGBXWNT-UHFFFAOYSA-N;142.21;-0.47;;;;;DOPC;MDCG;27;1;"MARTINI bead: SP1_SP2";;;;;;;-1.06;;-7.01;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM437131;MM437131;CCOC(C)=NOC=NN;WUKNXBGYZGUPEU-UHFFFAOYSA-N;145.16;0.27;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_P2";;;;;;;0.54;;-1.09;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM437132;MM437132;COC(=CCNC=N)CO;MEMQFPDLOJLTEN-UHFFFAOYSA-N;144.17;-0.29;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nda_P3";;;;;;;-1.1;;-7.68;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM437133;MM437133;CCC=C(C)CC(C)(C)O;BSXUATMXELMJAE-UHFFFAOYSA-N;142.24;2.5;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1_Nda";;;;;;;2.91;;0.57;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM437134;MM437134;Nc1cn(O)n(N)c1=NO;UIFPEZOMKQJBPI-UHFFFAOYSA-N;145.12;-1.89;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP2_SP2";;;;;;;-1.34;;-4.31;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM437135;MM437135;CN1C(=NN)NCC1CO;AVBHYTKXPNXXSU-UHFFFAOYSA-N;144.18;-1.89;;;;;DOPC;MDCG;27;1;"MARTINI bead: SP3_SP2";;;;;;;-2.2;;-7.66;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM437136;MM437136;C=COC1CC1C(=O)C=C;PNUHSDKVVLWIIW-UHFFFAOYSA-N;138.17;1.29;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNa_Na";;;;;;;0.87;;-2.22;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM437137;MM437137;COC(=CCNC=O)CO;FFJDBCNUBJHTEX-UHFFFAOYSA-N;145.16;-0.75;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda_P3";;;;;;;-1.1;;-3.97;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM437138;MM437138;C=CC=C1COC(=CC)C1;ILNGWFVCXSKZQY-UHFFFAOYSA-N;136.19;2.42;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC5_SC5";;;;;;;2.41;;0.64;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM437139;MM437139;CC(=CCF)CC(C)(C)O;JTEOXDXQGDCCIC-UHFFFAOYSA-N;146.21;2.06;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4_Nda";;;;;;;2.2;;0.49;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM437140;MM437140;CN=c1c(O)cn(C)n1N;ARMFPPJCETWXAW-UHFFFAOYSA-N;142.16;-1.22;;;;;DOPC;MDCG;27;1;"MARTINI bead: SP2_SP1";;;;;;;-1.06;;-5.22;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM437141;MM437141;C=CC(=O)C1CC1OC=O;YQFDAERSPULPDI-UHFFFAOYSA-N;140.14;0.3;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_SNa";;;;;;;0.87;;-2.22;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM437142;MM437142;CCC1CNC(=NC)N1N;GWQUJVQDAUTZRT-UHFFFAOYSA-N;142.21;-0.47;;;;;DOPC;MDCG;27;1;"MARTINI bead: SP1_SP2";;;;;;;-1.06;;-7.61;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM437143;MM437143;COC(=CCNC=O)CF;PABOUIVXXBWUBF-UHFFFAOYSA-N;147.15;0.23;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_P1";;;;;;;0.04;;-2.54;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM437144;MM437144;CC=C1CC(=CC=O)CO1;OYYNTWATABMDQN-UHFFFAOYSA-N;138.17;1.44;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC5_SNa";;;;;;;1.64;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM437145;MM437145;N#CC1(C(=O)NC=O)CN1;SHFUZFHFYKZXNL-UHFFFAOYSA-N;139.11;-1.88;;;;;DOPC;MDCG;27;0;"MARTINI bead: P4_SP2";;;;;;;-2.29;;-5.95;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM437146;MM437146;C=COC1CC1C(=O)C=O;FVKMHSHVXYGQFL-UHFFFAOYSA-N;140.14;0.3;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNa_P1";;;;;;;0.04;;-2.54;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM437147;MM437147;CN=c1c(O)cn(N)n1N;AYUMOPIJAGFFDE-UHFFFAOYSA-N;143.15;-2.05;;;;;DOPC;MDCG;27;1;"MARTINI bead: SP2_SP1";;;;;;;-1.06;;-4.84;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM437148;MM437148;CC=C1CCN(CC)C1C;SFPPIAGEOOLRDR-UHFFFAOYSA-N;139.24;2.05;;;;;DOPC;MDCG;27;1;"MARTINI bead: SC5_SN0";;;;;;;1.94;;-1.09;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM437149;MM437149;C#CC(=O)CC1(C=C)CN1;ISALJJPMMHDMTB-UHFFFAOYSA-N;135.17;0.11;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP1_Na";;;;;;;0.04;;-2.54;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM437150;MM437150;CC=C1CC(=CC#N)CO1;MKVVFZUSOMQQLV-UHFFFAOYSA-N;135.17;1.76;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC5_SN0";;;;;;;1.94;;0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM437151;MM437151;CC(C)C(C)CC(C)(C)O;CIVZBWYMPDUPSQ-UHFFFAOYSA-N;144.26;2.44;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1_Nda";;;;;;;2.91;;0.57;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM437152;MM437152;C=CC(=C)C1CC1ON=C;BIQZZOPEZDBRJC-UHFFFAOYSA-N;137.18;1.75;;;;;DOPC;MDCG;27;0;"MARTINI bead: C3_SNa";;;;;;;2.57;;0.45;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM437153;MM437153;C=CC(=C)COC(C)=NN;CCANVYDURIHYLS-UHFFFAOYSA-N;140.19;1.04;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda_C4";;;;;;;2.2;;0.49;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM437154;MM437154;CCN1CCC(=NC)N1C;IXMJDEXEVNPFQP-UHFFFAOYSA-N;141.22;0.59;;;;;DOPC;MDCG;27;1;"MARTINI bead: SN0_SP2";;;;;;;0.06;;-4.55;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM437155;MM437155;C=NNCC=C(CF)OC;BOSZMXYPASLDHW-UHFFFAOYSA-N;146.17;0.69;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_P2";;;;;;;0.54;;-1.09;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM437156;MM437156;CCC(CC)CC(C)(C)O;CKWRBDSKVBMYKY-UHFFFAOYSA-N;144.26;2.58;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1_Nda";;;;;;;2.91;;0.57;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM437157;MM437157;C=CC=C1COC(=CF)C1;DFTAKDBRNDSVKT-UHFFFAOYSA-N;140.16;2.33;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNa_SC5";;;;;;;1.64;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM437158;MM437158;CN=c1c(F)cn(N)n1N;NYVZNIKRTUXPNY-UHFFFAOYSA-N;145.14;-1.61;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNa_SP2";;;;;;;-0.24;;-3.24;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM437159;MM437159;CC=CC(C)C(O)CCC;FKIOUZSHLBNVSH-UHFFFAOYSA-N;142.24;2.36;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda_C1";;;;;;;2.91;;0.57;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM437160;MM437160;Cn1oc(=O)cc(N)c1=N;LSPCYIGFBWGYSJ-UHFFFAOYSA-N;141.13;-0.96;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP1_SP2";;;;;;;-1.06;;-3.82;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM437161;MM437161;C=COCC=C(CC)OC;SUVYZPXZCILZIQ-UHFFFAOYSA-N;142.2;2.09;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4_Na";;;;;;;2.2;;0.34;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM437162;MM437162;C=NNC(=O)C1(C#N)CN1;HKXGICFTPIALRJ-UHFFFAOYSA-N;138.13;-1.42;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_SP2";;;;;;;-1.34;;-4.31;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM437163;MM437163;O=CC=C1COC(=CF)C1;LSPFRVDSQWWTHM-UHFFFAOYSA-N;142.13;1.34;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNa_SNa";;;;;;;0.87;;-2.22;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM437164;MM437164;C=CC1CC(O)(CC)C1C;XPJKVBFUWINVFS-UHFFFAOYSA-N;140.23;1.97;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNda_SC4";;;;;;;2.2;;0.49;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM437165;MM437165;C=CC1CCC(=CC)C1C;BOKYYXRBHPTRER-UHFFFAOYSA-N;136.24;3.16;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC1_SC2";;;;;;;4.87;;0.53;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM437166;MM437166;C#CC(=C)COC(C)=NN;PYBPXSOZOLEXRX-UHFFFAOYSA-N;138.17;0.48;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_C5";;;;;;;0.54;;-1.09;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM437167;MM437167;CCC(=CCOC=O)OC;UWJGAQMPJBOLCA-UHFFFAOYSA-N;144.17;1.1;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4_P1";;;;;;;1.37;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM437168;MM437168;N#CC=C1COC(=CF)C1;DGKOVRSWFUHTOD-UHFFFAOYSA-N;139.13;1.67;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNa_SN0";;;;;;;1.17;;-1.18;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM437169;MM437169;C=COC(=C)C1(C=C)CN1;CHOVDFBLIJMFQI-UHFFFAOYSA-N;137.18;1.19;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_SP1";;;;;;;0.81;;-0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM437170;MM437170;C=CC(=C)C1NC1CC#N;BBWNOJJJAQHUDM-UHFFFAOYSA-N;134.18;0.98;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4_SP2";;;;;;;1.09;;-0.38;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM437171;MM437171;C=CC1CCC(=CF)C1C;ZQSLKRDBKPAOGR-UHFFFAOYSA-N;140.2;3.07;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC2_SC3";;;;;;;4.53;;0.32;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM437172;MM437172;CC=C(F)COC(C)=NN;UPYCOCQROBUPNM-UHFFFAOYSA-N;146.17;1.17;;;;;DOPC;MDCG;27;0;"MARTINI bead: C3_P2";;;;;;;1.46;;-0.15;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM437173;MM437173;COC(=CCOC=O)CN;KXZOYDNJLIYKQN-UHFFFAOYSA-N;145.16;-0.35;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1_P1";;;;;;;-0.79;;-4.57;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM437174;MM437174;C=COC(C)=NOC=NN;ACROPOJAPWZLPO-UHFFFAOYSA-N;143.15;0.4;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_P2";;;;;;;0.54;;-1.09;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM437175;MM437175;CC1C(=CF)CCC1C=O;ZXUDZQAIZOLYDR-UHFFFAOYSA-N;142.17;2.08;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNa_SC3";;;;;;;2.57;;0.45;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM437176;MM437176;C=CC1(C(=C)OC=O)CN1;RXRKCPHIDUQTCO-UHFFFAOYSA-N;139.15;0.2;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP1_Na";;;;;;;0.04;;-2.54;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM437177;MM437177;C=CCC1NC1C(=C)C#N;GYCLWYHGWGTCQU-UHFFFAOYSA-N;134.18;0.98;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNd_N0";;;;;;;1.17;;-1.04;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM437178;MM437178;C=COCC=C(CO)OC;AFVNJVHTHMRVNK-UHFFFAOYSA-N;144.17;0.67;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_C5";;;;;;;0.54;;-1.09;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM437179;MM437179;CN=c1c(C)cn(C)n1O;VIXTVYWDLSUULV-UHFFFAOYSA-N;141.17;-0.1;;;;;DOPC;MDCG;27;1;"MARTINI bead: SN0_SP2";;;;;;;0.06;;-4.2;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM437180;MM437180;C=CC=C1COC(=NO)C1;CAIYEHRNZVIHEM-UHFFFAOYSA-N;139.15;1.31;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP1_SC5";;;;;;;0.81;;-0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM437181;MM437181;C=CC1CCC(=CC)C1N;QCTXMAFLHREEAC-UHFFFAOYSA-N;137.23;1.86;;;;;DOPC;MDCG;27;1;"MARTINI bead: SC5_SC2";;;;;;;3.6;;0.61;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM437182;MM437182;Cc1cn(C)n(O)c1=NO;LQVWHEGLOMMUNP-UHFFFAOYSA-N;143.15;-0.34;;;;;DOPC;MDCG;27;0;"MARTINI bead: SN0_SP2";;;;;;;0.06;;-2.21;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM437183;MM437183;C=NNC=NCC(C)C#N;QNXXVONCPFJXNO-UHFFFAOYSA-N;138.17;0.38;;;;;DOPC;MDCG;27;0;"MARTINI bead: N0_P1";;;;;;;0.34;;-1.53;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM437184;MM437184;C=COC(=C)C1(C=O)CN1;DCZVDHFCUVPOTJ-UHFFFAOYSA-N;139.15;0.2;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_SP2";;;;;;;0.54;;-1.09;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM437185;MM437185;COC(=CCOC=O)CO;MOJOUFIGVLITMO-UHFFFAOYSA-N;146.14;-0.32;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda_P1";;;;;;;0.04;;-2.73;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM437186;MM437186;O=CC=C1COC(=NO)C1;AWVPCNMDPHHMEI-UHFFFAOYSA-N;141.13;0.32;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP1_SNa";;;;;;;0.04;;-2.54;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM437187;MM437187;CC=C1CCC(C#N)C1O;NMSRMSXAWHIKSE-UHFFFAOYSA-N;137.18;1.23;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC5_SC5";;;;;;;2.41;;0.64;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM437188;MM437188;CN=c1c(C)cn(N)n1O;QOJFREAABODXLC-UHFFFAOYSA-N;142.16;-0.92;;;;;DOPC;MDCG;27;1;"MARTINI bead: SN0_SP2";;;;;;;0.06;;-3.88;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM437189;MM437189;C=CCC1OC1C(=C)C=C;GGYDIXKMSOCYLQ-UHFFFAOYSA-N;136.19;2.07;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNa_C4";;;;;;;2.2;;0.34;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM437190;MM437190;C=NOCC=C(CC)OC;LORYLWBHXJMUSY-UHFFFAOYSA-N;143.19;1.56;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4_P1";;;;;;;1.37;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM437191;MM437191;C=COC(=C)C1(C#N)CN1;OYWYDZHDUGTZJS-UHFFFAOYSA-N;136.15;0.53;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_SP2";;;;;;;0.54;;-1.09;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM437192;MM437192;N#CC=C1COC(=NO)C1;KFUHEJAULFUAOQ-UHFFFAOYSA-N;138.13;0.64;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP1_SN0";;;;;;;0.34;;-1.53;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM437193;MM437193;Cc1cn(N)n(O)c1=NO;QNGXTSJWESJIGE-UHFFFAOYSA-N;144.13;-1.16;;;;;DOPC;MDCG;27;0;"MARTINI bead: SN0_SP2";;;;;;;0.06;;-2.21;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM437194;MM437194;C=CC1CCC(=NN)C1C;KWCVWJCMDYVTKH-UHFFFAOYSA-N;138.21;1.53;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC2_SC5";;;;;;;3.6;;0.34;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM437195;MM437195;C=NOCC=C(CN)OC;WPJCPDCSGUYFFB-UHFFFAOYSA-N;144.17;0.11;;;;;DOPC;MDCG;27;1;"MARTINI bead: P2_Na";;;;;;;-0.24;;-4.67;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM437196;MM437196;C=CC(=C)C1OC1CC=O;MHFHZGJBBXCQCG-UHFFFAOYSA-N;138.17;1.09;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4_SP1";;;;;;;1.37;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM437197;MM437197;C=C(OC=O)C1(C#N)CN1;SBPSXVBFKCJZEU-UHFFFAOYSA-N;138.13;-0.46;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_SP2";;;;;;;-0.24;;-3.24;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM437198;MM437198;CC=C1CNC(=CC=O)C1;LYTKSMKVRLHPOY-UHFFFAOYSA-N;137.18;1.01;;;;;DOPC;MDCG;27;0;"MARTINI bead: SN0_SNda";;;;;;;1.17;;-1.13;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM437199;MM437199;CC(=NN)OCC(F)=CF;UQAJNHLPNNTIAP-UHFFFAOYSA-N;150.13;1.08;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_C5";;;;;;;0.54;;-1.09;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM437200;MM437200;C=CC1CCC(=NO)C1C;VOWOJYKCBBQVLQ-UHFFFAOYSA-N;139.2;2.05;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC2_SNda";;;;;;;2.83;;0.57;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM437201;MM437201;C=CC(=C)C1OC1CC#N;ICAQJWTVKVFWNF-UHFFFAOYSA-N;135.17;1.41;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4_SNa";;;;;;;2.2;;0.34;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM437202;MM437202;C=NOCC=C(CF)OC;HREACRPFKQUJDQ-UHFFFAOYSA-N;147.15;1.12;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_P1";;;;;;;0.81;;-0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM437203;MM437203;C=COC(=O)C1(C#N)CN1;WARRQFBFFVTSTP-UHFFFAOYSA-N;138.13;-0.46;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_SP2";;;;;;;-0.24;;-3.24;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM437204;MM437204;CC=C1CNC(=CC#N)C1;KGNVDLRXEGLYQU-UHFFFAOYSA-N;134.18;1.33;;;;;DOPC;MDCG;27;0;"MARTINI bead: SN0_SNd";;;;;;;1.17;;-1.04;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM437205;MM437205;Cc1cn(O)n(O)c1=NO;NYXNITUBAFSNEW-UHFFFAOYSA-N;145.12;-0.64;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNda_SP2";;;;;;;-0.24;;-3.31;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM437206;MM437206;C=CC1CNC(=NC)C1C;ATEDZUSLIOBSRY-UHFFFAOYSA-N;138.21;1.06;;;;;DOPC;MDCG;27;1;"MARTINI bead: SC5_SN0";;;;;;;1.94;;-2.92;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM437207;MM437207;C=C(C=O)C1OC1CC#N;SWQYLSGZXJFQED-UHFFFAOYSA-N;137.14;0.42;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_SNa";;;;;;;0.87;;-2.22;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM437208;MM437208;C=CCOC=C(CC)CC;LZUBPYZHDRMFLP-UHFFFAOYSA-N;140.23;2.89;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1_Na";;;;;;;2.91;;0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM437209;MM437209;O=CC=C1CC(=CF)CN1;LUBNIPSOVWBEOK-UHFFFAOYSA-N;141.15;0.92;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP1_SNda";;;;;;;0.04;;-2.73;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM437210;MM437210;C=C(NC=O)C1(C#N)CO1;LQQQESCMPWGGHB-UHFFFAOYSA-N;138.13;-0.46;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_SP1";;;;;;;-1.06;;-3.82;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM437211;MM437211;COC(C)=COC(C)=NN;FCVBKMGUBCVFQK-UHFFFAOYSA-N;144.17;0.8;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_P2";;;;;;;0.54;;-1.09;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM437212;MM437212;C=CC1CN=C(NN)C1C;HOBAJCZZYRBKNY-UHFFFAOYSA-N;139.2;0.3;;;;;DOPC;MDCG;27;1;"MARTINI bead: SC5_SNd";;;;;;;1.64;;-2.34;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM437213;MM437213;CCC(=COCC=O)CC;IDLSRVUGKZKFEJ-UHFFFAOYSA-N;142.2;1.91;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1_P2";;;;;;;1.8;;0.4;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM437214;MM437214;C=CCC1OC1C(=O)C=C;PMCWKZNEPQGSNP-UHFFFAOYSA-N;138.17;1.09;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNa_Na";;;;;;;0.87;;-2.22;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM437215;MM437215;N#CC=C1CC(=CF)CN1;KIITZCFDRYJJPT-UHFFFAOYSA-N;138.15;1.24;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP1_SNd";;;;;;;0.04;;-2.63;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM437216;MM437216;C=CNC(=N)C1(C=C)CO1;AFNXAWYIOZCYKF-UHFFFAOYSA-N;138.17;0.65;;;;;DOPC;MDCG;27;1;"MARTINI bead: P2_SNa";;;;;;;-0.24;;-5.71;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM437217;MM437217;Cn1cc(N)c(=NO)n1O;RIAFPQXSAVJISN-UHFFFAOYSA-N;144.13;-1.06;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP1_SP2";;;;;;;-1.06;;-3.82;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM437218;MM437218;C=CCOC=C(CC)CN;YLGCTQNBVZCCGS-UHFFFAOYSA-N;141.21;1.44;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_Na";;;;;;;0.87;;-4.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM437219;MM437219;C=CC1CN=C(NO)C1C;GEUYSYRZYDWOTE-UHFFFAOYSA-N;140.19;0.82;;;;;DOPC;MDCG;27;1;"MARTINI bead: SC5_SNda";;;;;;;1.64;;-1.1;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM437220;MM437220;C=CCC1OC1C(=O)C=O;JADNZDJCMXAACK-UHFFFAOYSA-N;140.14;0.1;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNa_Na";;;;;;;0.87;;-2.22;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM437221;MM437221;C#CC(C)=COC(C)=NN;DZSIKWGFLFWJSF-UHFFFAOYSA-N;138.17;0.83;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_C5";;;;;;;0.54;;-1.09;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM437222;MM437222;O=CC=C1CC(=NO)CN1;ZBDJFKJISLMVAM-UHFFFAOYSA-N;140.14;-0.11;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP3_SNda";;;;;;;-1.1;;-3.97;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM437223;MM437223;C=CNC(=O)C1(C=C)CO1;PILKGWCKWVLPRM-UHFFFAOYSA-N;139.15;0.2;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_SNa";;;;;;;-0.24;;-3.24;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM437224;MM437224;CN=C1NCC(C#N)C1C;QWIVIZHLTWYUHU-UHFFFAOYSA-N;137.19;0.39;;;;;DOPC;MDCG;27;1;"MARTINI bead: SC5_SP1";;;;;;;0.81;;-4.19;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM437225;MM437225;C=CCOC=C(CC)CO;ZPVYPGHTOFQIHW-UHFFFAOYSA-N;142.2;1.48;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_Na";;;;;;;1.64;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM437226;MM437226;C=CCC1OC1C(=O)C#N;ULBSHEDOJCWIMM-UHFFFAOYSA-N;137.14;0.42;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNa_P1";;;;;;;0.04;;-2.54;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM437227;MM437227;Nc1cn(N)n(O)c1=NO;OHVKBOKKPWWHPV-UHFFFAOYSA-N;145.12;-1.89;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP2_SP2";;;;;;;-1.34;;-4.31;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM437228;MM437228;C=CC1(C(=O)NC=N)CO1;ZGOVOXQVGSKWBX-UHFFFAOYSA-N;140.14;-0.34;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNa_P4";;;;;;;-1.19;;-4.76;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM437229;MM437229;N#CC=C1CC(=NO)CN1;NRRKUSAEMPHCIO-UHFFFAOYSA-N;137.14;0.22;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP3_SNd";;;;;;;-1.1;;-3.93;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM437230;MM437230;CC1C(NO)=NCC1C=O;JPNREWJQLXHLCS-UHFFFAOYSA-N;142.16;-0.17;;;;;DOPC;MDCG;27;1;"MARTINI bead: SNa_SNda";;;;;;;0.87;;-3.07;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM437231;MM437231;C=CCOC=C(CC)CF;BSGGCFCXPDUDQF-UHFFFAOYSA-N;144.19;2.45;;;;;DOPC;MDCG;27;0;"MARTINI bead: C3_Na";;;;;;;2.57;;0.45;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM437232;MM437232;C=CC(=C)C1CN1CC#N;SDMLUPRQPUFPLX-UHFFFAOYSA-N;134.18;0.94;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4_SP1";;;;;;;1.37;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM437233;MM437233;C=CNC(=O)C1(C=O)CO1;QSOIRKGMKRTEBF-UHFFFAOYSA-N;141.13;-0.79;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_SP2";;;;;;;-1.34;;-4.31;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM437234;MM437234;CC=C1CN=C(NC=N)C1;YMGFDELXXWCYJF-UHFFFAOYSA-N;137.19;0.93;;;;;DOPC;MDCG;27;1;"MARTINI bead: SC4_SNd";;;;;;;2.2;;-1.05;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM437235;MM437235;C#CC(F)=COC(C)=NN;FZDQZAPLSVJWOG-UHFFFAOYSA-N;142.13;0.74;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nd_Na";;;;;;;0.87;;-1.88;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM437236;MM437236;C=CC1COC(=CC)C1C;ALXQFXIMTALKPD-UHFFFAOYSA-N;138.21;2.36;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC4_SN0";;;;;;;2.5;;0.44;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM437237;MM437237;CCC(=COCC=O)CF;VDHGUZNWCZIHKX-UHFFFAOYSA-N;146.16;1.47;;;;;DOPC;MDCG;27;0;"MARTINI bead: C3_P2";;;;;;;1.46;;-0.15;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM437238;MM437238;C=C(C#N)C1CN1CC#N;DVIFNGFMQWDNHM-UHFFFAOYSA-N;133.15;0.27;;;;;DOPC;MDCG;27;0;"MARTINI bead: N0_SP1";;;;;;;0.34;;-1.53;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM437239;MM437239;N=CNC1=NCC(=CF)C1;BAXNXOJWSKMGIK-UHFFFAOYSA-N;141.15;0.84;;;;;DOPC;MDCG;27;1;"MARTINI bead: SNa_SNd";;;;;;;0.87;;-3.49;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM437240;MM437240;O=CNC(=O)C1(C=O)CO1;GFRWFROEWPFSSM-UHFFFAOYSA-N;143.1;-1.77;;;;;DOPC;MDCG;27;0;"MARTINI bead: P4_SP2";;;;;;;-2.29;;-5.95;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM437241;MM437241;CCC1(C)COC(=NN)C1;ZZPVGCHYHHGAPJ-UHFFFAOYSA-N;142.2;1.1;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC5_SNda";;;;;;;1.64;;0.05;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM437242;MM437242;CC=C1OCC(C#N)C1C;HMQKNFVUHUEBNM-UHFFFAOYSA-N;137.18;1.7;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC4_SP1";;;;;;;1.37;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM437243;MM437243;O=CCOC=C(CO)CO;LICJUKLPIMNZOE-UHFFFAOYSA-N;146.14;-0.93;;;;;DOPC;MDCG;27;0;"MARTINI bead: P3_Na";;;;;;;-1.1;;-4.2;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM437244;MM437244;C=CCN1CC1C(=O)C=C;MMDSAECFUIATPB-UHFFFAOYSA-N;137.18;0.61;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNd_Na";;;;;;;0.87;;-1.88;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM437245;MM437245;N#CC1(C(=O)NC=O)CO1;QALDDINOOFXJHH-UHFFFAOYSA-N;140.1;-1.45;;;;;DOPC;MDCG;27;0;"MARTINI bead: P4_SP1";;;;;;;-2.01;;-5.13;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM437246;MM437246;CC(=NOC=NN)OC=O;GKRFRFOUWHLPLS-UHFFFAOYSA-N;145.12;-0.59;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_Nda";;;;;;;0.04;;-2.73;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM437247;MM437247;Nc1cn(O)n(O)c1=NO;YLKAQNTVTKVDQO-UHFFFAOYSA-N;146.11;-1.36;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP2_SP2";;;;;;;-1.34;;-4.31;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM437248;MM437248;C=CC1COC(=NO)C1C;SYGRSAVFOJYIDF-UHFFFAOYSA-N;141.17;1.24;;;;;DOPC;MDCG;27;0;"MARTINI bead: SN0_SNda";;;;;;;1.17;;-1.13;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM437249;MM437249;C=CCOC=C(CO)CF;RTTIRXBDFNFKTI-UHFFFAOYSA-N;146.16;1.03;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda_Na";;;;;;;0.87;;-1.99;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM437250;MM437250;C=CC(=O)C1CN1CC#N;JQSYTDXLTFDASW-UHFFFAOYSA-N;136.15;-0.05;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_SP1";;;;;;;0.04;;-2.54;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM437251;MM437251;N=CNC1=NCC(=NN)C1;YOXBKQOWHWLSQF-UHFFFAOYSA-N;139.16;-0.7;;;;;DOPC;MDCG;27;1;"MARTINI bead: SP1_SNd";;;;;;;0.04;;-4.17;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM437252;MM437252;C=NNC(=O)C1(C#N)CO1;XAJYALQWJCBNGN-UHFFFAOYSA-N;139.11;-0.99;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_SP1";;;;;;;-1.06;;-3.82;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM437253;MM437253;CN=c1c(O)cn(C)n1O;FWGUARKTHXAMAJ-UHFFFAOYSA-N;143.15;-0.7;;;;;DOPC;MDCG;27;1;"MARTINI bead: SP2_SP1";;;;;;;-1.06;;-7.21;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM437254;MM437254;C=CC1NCC(=CC)C1C;MKGOBOCNSCSRFD-UHFFFAOYSA-N;137.23;1.73;;;;;DOPC;MDCG;27;1;"MARTINI bead: SN0_SNd";;;;;;;1.17;;-3.61;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM437255;MM437255;O=CCOC=C(CF)CF;YTKSOICBFJFDIR-UHFFFAOYSA-N;150.12;1.02;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_P2";;;;;;;0.54;;-1.09;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM437256;MM437256;C=NN=CC(=CC)C(C)=O;MNNNKVMBLKFHHQ-UHFFFAOYSA-N;138.17;1.21;;;;;DOPC;MDCG;27;0;"MARTINI bead: N0_C5";;;;;;;1.94;;0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM437257;MM437257;N=CNC1=NCC(=NO)C1;LKQLHEOPHDAUPG-UHFFFAOYSA-N;140.15;-0.18;;;;;DOPC;MDCG;27;1;"MARTINI bead: SNda_SNd";;;;;;;0.87;;-3.45;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM437258;MM437258;Cn1cc(O)c(=NO)n1O;LITNSEMJCYQVSG-UHFFFAOYSA-N;145.12;-0.94;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP1_SP2";;;;;;;-1.06;;-3.82;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM437259;MM437259;C=C(OC=O)C1(C#N)CO1;WOAKYRPZGPGEJT-UHFFFAOYSA-N;139.11;-0.03;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_SP1";;;;;;;0.04;;-2.54;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM437260;MM437260;CC1C(=CF)CNC1C#N;BTWZLZRPQQVXTF-UHFFFAOYSA-N;140.16;0.97;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP1_SNa";;;;;;;0.04;;-2.54;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM437261;MM437261;CCC(=COCC#N)OC;PFUICQPDFARHQA-UHFFFAOYSA-N;141.17;1.42;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_Na";;;;;;;1.64;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM437262;MM437262;C=C1C(=C)C(C)C(O)C1C;ZFZMXZLWBIXTLW-UHFFFAOYSA-N;138.21;1.75;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNda_SC3";;;;;;;2.57;;0.44;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM437263;MM437263;CC#CC(C)=NOC=NN;RBDYCMKNOWCWGH-UHFFFAOYSA-N;139.16;0.3;;;;;DOPC;MDCG;27;0;"MARTINI bead: N0_Nda";;;;;;;1.17;;-1.13;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM437264;MM437264;NN=c1c(O)cn(O)n1O;ABJAQBXEWOSRTB-UHFFFAOYSA-N;146.11;-1.76;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP3_SP1";;;;;;;-1.93;;-4.72;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM437265;MM437265;C=COC(=O)C1(C#N)CO1;BBAOKQLCYCEWIS-UHFFFAOYSA-N;139.11;-0.03;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_SP1";;;;;;;0.04;;-2.54;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM437266;MM437266;C=CC1NCC(=NO)C1C;ZPYNLDTXGBGHBA-UHFFFAOYSA-N;140.19;0.61;;;;;DOPC;MDCG;27;1;"MARTINI bead: SNd_SP2";;;;;;;-0.24;;-4.48;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM437267;MM437267;COC(=COCC=O)CO;MBGXLYOHZOJVTR-UHFFFAOYSA-N;146.14;-0.32;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda_P2";;;;;;;-0.24;;-3.31;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM437268;MM437268;N#CCN1CC1C(=O)C#N;DDVVENWERQDXIR-UHFFFAOYSA-N;135.13;-0.71;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_SP1";;;;;;;-0.79;;-3.13;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM437269;MM437269;CCC1(F)COC(=NN)C1;PRFAAJVSCMQNEX-UHFFFAOYSA-N;146.17;0.8;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNa_SNda";;;;;;;0.87;;-1.99;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM437270;MM437270;C=CC=C1CC(=CC)CO1;XJRPFNVQFOGRHC-UHFFFAOYSA-N;136.19;2.42;;;;;DOPC;MDCG;27;0;"MARTINI bead: SN0_SC5";;;;;;;1.94;;0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM437271;MM437271;C#CCC(=C)C1(C=C)CN1;OGIJMYVFBYWQRD-UHFFFAOYSA-N;133.19;1.09;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP1_C5";;;;;;;0.81;;-0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM437272;MM437272;C=C(C)C(=O)C=NN=CN;MRFAPSUTNKOLOX-UHFFFAOYSA-N;139.16;0.1;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_Nd";;;;;;;0.87;;-1.88;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM437273;MM437273;COC(=COCC=O)CF;UUUPEAPEJRRPNK-UHFFFAOYSA-N;148.13;0.66;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_P2";;;;;;;0.54;;-1.09;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM437274;MM437274;C=CC(=O)C1CN1NC=N;SZTCPXOFZRKIMA-UHFFFAOYSA-N;139.16;-0.46;;;;;DOPC;MDCG;27;1;"MARTINI bead: Na_SP3";;;;;;;-1.1;;-6.93;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM437275;MM437275;CCC1(C)CCC(=NN)O1;INNYPSQNHNYGKO-UHFFFAOYSA-N;142.2;1.24;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC5_SNda";;;;;;;1.64;;0.05;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM437276;MM437276;CC=C1COC(=CC=O)C1;WCBUQXSDXNURGL-UHFFFAOYSA-N;138.17;1.44;;;;;DOPC;MDCG;27;0;"MARTINI bead: SN0_SNa";;;;;;;1.17;;-1.18;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM437277;MM437277;C#CCC(=C)C1(C#N)CN1;KFMHVCPEKKDEFL-UHFFFAOYSA-N;132.17;0.43;;;;;DOPC;MDCG;27;0;"MARTINI bead: N0_SP1";;;;;;;0.34;;-1.53;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM437278;MM437278;C=CC1OCC(=CF)C1N;HHTJZMKZXXOTOV-UHFFFAOYSA-N;143.16;0.75;;;;;DOPC;MDCG;27;1;"MARTINI bead: SNa_SP1";;;;;;;0.04;;-4.17;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM437279;MM437279;COC(=COCC#N)CF;FGUDCLYOVHKLOL-UHFFFAOYSA-N;145.13;0.98;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_Na";;;;;;;0.87;;-2.22;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM437280;MM437280;N#CCC1CN1C(=O)C#N;XYONQOKUBFNEPR-UHFFFAOYSA-N;135.13;-0.37;;;;;DOPC;MDCG;27;0;"MARTINI bead: P3_SP2";;;;;;;-2.2;;-5.19;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM437281;MM437281;COC1(C)CCC(=NN)O1;SEWXZJCBLHAALP-UHFFFAOYSA-N;144.17;0.43;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNa_SNda";;;;;;;0.87;;-1.99;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM437282;MM437282;CC=C1COC(=CC#N)C1;MTYJSJYVMDLBHC-UHFFFAOYSA-N;135.17;1.76;;;;;DOPC;MDCG;27;0;"MARTINI bead: SN0_SNa";;;;;;;1.17;;-1.18;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM437283;MM437283;C#CC1(C(=C)CCC)CC1;JFAUFWNMRNYXGI-UHFFFAOYSA-N;134.22;2.76;;;;;DOPC;MDCG;27;0;"MARTINI bead: C3_SC5";;;;;;;3.34;;0.48;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM437284;MM437284;C=CC1OCC(=NN)C1C;LMPZMMQBMBEIPY-UHFFFAOYSA-N;140.19;0.52;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNa_SNd";;;;;;;0.87;;-1.88;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM437285;MM437285;C#CCC1CC1C(=C)C=C;RXDGLCUKPSGCKI-UHFFFAOYSA-N;132.21;2.39;;;;;DOPC;MDCG;27;0;"MARTINI bead: C3_SC4";;;;;;;3.9;;0.47;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM437286;MM437286;C=CCCNC(CO)=NO;PKDZCJFWGNUMDP-UHFFFAOYSA-N;144.17;-0.07;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nd_P2";;;;;;;-0.24;;-3.16;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM437287;MM437287;C=CC1(C)COC(=NN)C1;XFPIWVUKUOFQLA-UHFFFAOYSA-N;140.19;0.87;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC5_SNda";;;;;;;1.64;;0.05;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM437288;MM437288;C=CC=C1CC(=CF)CO1;OXZMZEKNSDYMFF-UHFFFAOYSA-N;140.16;2.33;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNa_SC5";;;;;;;1.64;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM437289;MM437289;C#CC1(C(=C)CCN)CC1;HTEHPLFZSKDBTI-UHFFFAOYSA-N;135.21;1.3;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1_SC5";;;;;;;0.81;;-3.23;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM437290;MM437290;C=CC1CCC(=NN)N1C;PYHDSGGUOTWVIV-UHFFFAOYSA-N;139.2;0.54;;;;;DOPC;MDCG;27;1;"MARTINI bead: SN0_SNd";;;;;;;1.17;;-2.46;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM437291;MM437291;C#CCC1CC1C(=C)C=O;YLLKFBZOQCQYAL-UHFFFAOYSA-N;134.18;1.4;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_SC4";;;;;;;2.2;;0.34;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM437292;MM437292;CNC(=NCCC=O)NC;OTCBCLXUGXPHGQ-UHFFFAOYSA-N;143.19;-0.63;;;;;DOPC;MDCG;27;1;"MARTINI bead: P2_Na";;;;;;;-0.24;;-7.97;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM437293;MM437293;C=CC1(F)COC(=NN)C1;SKVZPHCTUCWPJL-UHFFFAOYSA-N;144.15;0.57;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNda_SNa";;;;;;;0.87;;-1.99;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM437294;MM437294;N#CC=C1CC(=CF)CO1;CPDNXTMUJSMLBA-UHFFFAOYSA-N;139.13;1.67;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNa_SNa";;;;;;;0.87;;-2.22;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM437295;MM437295;C#CC(C)(C)CC(O)CC;IBLPXLJEFCYIPZ-UHFFFAOYSA-N;140.23;1.81;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda_C4";;;;;;;2.2;;0.49;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM437296;MM437296;CNC(=NCCC=O)NO;ZABNKCZDIQZVNH-UHFFFAOYSA-N;145.16;-0.87;;;;;DOPC;MDCG;27;1;"MARTINI bead: P3_Na";;;;;;;-1.1;;-7.05;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM437297;MM437297;C=CC1(C)CCC(=NN)O1;LPAQTSFVMABALR-UHFFFAOYSA-N;140.19;1.01;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC5_SNda";;;;;;;1.64;;0.05;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM437298;MM437298;CN=C1CCC(C=O)N1C;ACGONJFALCUACO-UHFFFAOYSA-N;140.19;0.31;;;;;DOPC;MDCG;27;1;"MARTINI bead: SNd_SP1";;;;;;;0.04;;-5.47;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM437299;MM437299;C#CCC1CC1C(=O)C=C;YHBOHWXSXVKBAL-UHFFFAOYSA-N;134.18;1.4;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_SC4";;;;;;;2.2;;0.34;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM437300;MM437300;C=CC=C1CC(=NN)CO1;XMYAGCDZWWQUDE-UHFFFAOYSA-N;138.17;0.79;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP1_SC5";;;;;;;0.81;;-0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM437301;MM437301;CC=NOC(=O)C(=O)CC;LGRHHPXNSWAAHU-UHFFFAOYSA-N;143.14;0.51;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_Na";;;;;;;0.87;;-2.22;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM437302;MM437302;C#CC1(C(=C)COC)CC1;VPQPYOVCLOAFKJ-UHFFFAOYSA-N;136.19;1.6;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_SC5";;;;;;;1.64;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM437303;MM437303;CC=C1CCN(C=N)C1C;GFOMPHIHDCGXGV-UHFFFAOYSA-N;138.21;1.63;;;;;DOPC;MDCG;27;1;"MARTINI bead: SN0_SNd";;;;;;;1.17;;-4.45;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM437304;MM437304;Cc1nn(C)n(C)c1=NO;VLKFUZVDZKHNIG-UHFFFAOYSA-N;142.16;-0.64;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP2_SP2";;;;;;;-1.34;;-4.31;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM437305;MM437305;C#CCC1CC1C(=O)C=O;LMGTVZIMRXHUGH-UHFFFAOYSA-N;136.15;0.41;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_SC4";;;;;;;1.37;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM437306;MM437306;N#CC=C1CC(=NO)CO1;KYNMJZPGYDCFKT-UHFFFAOYSA-N;138.13;0.64;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP2_SNa";;;;;;;-0.24;;-3.24;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM437307;MM437307;C=CCCN=C(NC)OC;KOFWHIXBWAGAME-UHFFFAOYSA-N;142.2;0.78;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1_C3";;;;;;;1.74;;-0.4;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM437308;MM437308;C#CC1(C(=O)COC)CC1;GEJMKJSSVQGSNU-UHFFFAOYSA-N;138.17;0.62;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_SC5";;;;;;;0.81;;-0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM437309;MM437309;CN=c1c(F)nn(C)n1C;GHCGTEFBLJGBEL-UHFFFAOYSA-N;144.15;-0.57;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP1_SP2";;;;;;;-1.06;;-3.82;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM437310;MM437310;CC1C(=CF)CCN1C=N;WVSHEMYLWHTREB-UHFFFAOYSA-N;142.18;1.54;;;;;DOPC;MDCG;27;1;"MARTINI bead: SNd_SP1";;;;;;;0.04;;-5.97;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM437311;MM437311;C#CCC1CC1C(=O)C#N;BIMVEWPECBVWDO-UHFFFAOYSA-N;133.15;0.74;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_SC4";;;;;;;1.37;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM437312;MM437312;C=CC=C1CCC(=NC)N1;KDDAPPOWMIJHJS-UHFFFAOYSA-N;136.2;1.47;;;;;DOPC;MDCG;27;1;"MARTINI bead: SNd_SC5";;;;;;;1.64;;-3.34;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM437313;MM437313;C=CCNN=C(CC)CC;ZCWCYPNECWSTIC-UHFFFAOYSA-N;140.23;1.94;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4_P1";;;;;;;1.37;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM437314;MM437314;C#CC1(C(=O)NCC)CC1;MUQVJBCSYTYUHG-UHFFFAOYSA-N;137.18;0.54;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_SC5";;;;;;;0.81;;-0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM437315;MM437315;C#CC1(C)COC(=NN)C1;PDWSAIILYUUBCG-UHFFFAOYSA-N;138.17;0.32;;;;;DOPC;MDCG;27;0;"MARTINI bead: SN0_SNda";;;;;;;1.17;;-1.13;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM437316;MM437316;CC1C(=NN)CCN1C=N;YUFMDBYTSQHFTK-UHFFFAOYSA-N;140.19;;;;;;DOPC;MDCG;27;1;"MARTINI bead: SNd_SP2";;;;;;;-0.24;;-6.08;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM437317;MM437317;C#CCC1OC1C(=C)C=C;QZOURCXDUXEQIM-UHFFFAOYSA-N;134.18;1.52;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4_SNa";;;;;;;2.2;;0.34;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM437318;MM437318;CN=C1CCC(=CC=O)N1;QBDRSRYOMJYLCW-UHFFFAOYSA-N;138.17;0.48;;;;;DOPC;MDCG;27;1;"MARTINI bead: SNd_SNa";;;;;;;0.87;;-4.71;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM437319;MM437319;CCNN=COC(=O)CC;AYWAVBPPRUXRDV-UHFFFAOYSA-N;144.17;0.49;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nd_Na";;;;;;;0.87;;-1.88;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM437320;MM437320;C#CC1(C(=N)NNC)CC1;ZKMIYSGBUKXNJA-UHFFFAOYSA-N;137.19;0.1;;;;;DOPC;MDCG;27;1;"MARTINI bead: P4_SC5";;;;;;;-0.41;;-4.71;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM437321;MM437321;C#CCC1OC1C(=O)C#N;VJAYCUFLNYHQBR-UHFFFAOYSA-N;135.12;-0.13;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_SNa";;;;;;;0.04;;-2.54;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM437322;MM437322;CC1C(=NO)CCN1C=N;JXBCRQWYIDJJBO-UHFFFAOYSA-N;141.17;0.52;;;;;DOPC;MDCG;27;1;"MARTINI bead: SNd_SP3";;;;;;;-1.1;;-6.73;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM437323;MM437323;C#CC1(F)COC(=NN)C1;ZTSAYWVLYRHVQY-UHFFFAOYSA-N;142.13;0.02;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNda_SNa";;;;;;;0.87;;-1.99;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM437324;MM437324;CN=C1CCC(=CC#N)N1;KNNGPQIEYMNQGX-UHFFFAOYSA-N;135.17;0.81;;;;;DOPC;MDCG;27;1;"MARTINI bead: SNd_SN0";;;;;;;1.17;;-3.57;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM437325;MM437325;C#CC(C)NC=NN=CC;VLXMOUUAQAEFLP-UHFFFAOYSA-N;137.19;0.63;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_P1";;;;;;;0.81;;-0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM437326;MM437326;CC(=O)C(C)N(C)C(C)=O;XYSHTWCFGGYHSF-UHFFFAOYSA-N;143.19;0.44;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_P2";;;;;;;-0.24;;-3.24;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM437327;MM437327;C#CCN1CC1C(=C)C=C;MLJRUPHGIGZVSR-UHFFFAOYSA-N;133.19;1.05;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4_SNd";;;;;;;2.2;;0.32;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM437328;MM437328;CC1C(=CF)CNN1C=N;VPVKNZUXZAECAP-UHFFFAOYSA-N;143.17;0.66;;;;;DOPC;MDCG;27;1;"MARTINI bead: SP2_SP2";;;;;;;-1.34;;-5.98;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM437329;MM437329;CN=c1c(F)nn(C)n1N;LOKJMWHNEHFENR-UHFFFAOYSA-N;145.14;-1.4;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP1_SP3";;;;;;;-1.93;;-4.72;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM437330;MM437330;C=CCCC(C)C1(O)CC1;NPMYRCKDRWJKHW-UHFFFAOYSA-N;140.23;2.11;;;;;DOPC;MDCG;27;0;"MARTINI bead: C3_SNda";;;;;;;2.57;;0.44;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM437331;MM437331;C=CC=C1CCC(=NN)N1;ZLBQQMROFRUEMM-UHFFFAOYSA-N;137.19;0.71;;;;;DOPC;MDCG;27;1;"MARTINI bead: SNd_SC5";;;;;;;1.64;;-1.03;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM437332;MM437332;CNN(C=O)C=CC(=O)O;GQGVUFZUYHZFGF-UHFFFAOYSA-N;144.13;-0.82;;;;;DOPC;MDCG;27;0;"MARTINI bead: P3_P1";;;;;;;-1.93;;-8.96;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM437333;MM437333;C#CCN1CC1C(=C)C#N;ZQRGANJXNVUDMF-UHFFFAOYSA-N;132.17;0.38;;;;;DOPC;MDCG;27;0;"MARTINI bead: N0_SNd";;;;;;;1.17;;-1.04;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM437334;MM437334;C#CC1(C)CCC(=NN)O1;WIWYCBULZDJRKE-UHFFFAOYSA-N;138.17;0.46;;;;;DOPC;MDCG;27;0;"MARTINI bead: SN0_SNda";;;;;;;1.17;;-1.13;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM437335;MM437335;CC1C(=NN)CNN1C=N;XJKHCCXAURHJNI-UHFFFAOYSA-N;141.18;-0.88;;;;;DOPC;MDCG;27;1;"MARTINI bead: SP2_SP3";;;;;;;-2.2;;-6.47;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM437336;MM437336;C=C(C)C(=O)CNN=CC;QPNSBFBQSIZAKM-UHFFFAOYSA-N;140.19;0.73;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nd_Na";;;;;;;0.87;;-1.88;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM437337;MM437337;CNC(=NNCC=O)NC;BCRBYJPFCJAGBI-UHFFFAOYSA-N;144.18;-1.52;;;;;DOPC;MDCG;27;1;"MARTINI bead: P2_P2";;;;;;;-1.34;;-8;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM437338;MM437338;C#CC1(C(=C)OCC)CC1;VTEFTKBYRXJPSB-UHFFFAOYSA-N;136.19;1.95;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_SC5";;;;;;;2.41;;0.64;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM437339;MM437339;N=c1c(N)c(F)nnn1N;RAZBWYVGDKOOOK-UHFFFAOYSA-N;144.11;-1.81;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP2_SP3";;;;;;;-2.2;;-5.19;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM437340;MM437340;CC1C(=NO)CNN1C=N;SMTFIMUGONTWEZ-UHFFFAOYSA-N;142.16;-0.37;;;;;DOPC;MDCG;27;1;"MARTINI bead: SP2_SP3";;;;;;;-2.2;;-6.44;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM437341;MM437341;CCC1(C)C=CC(=NN)O1;IXYQLOXGJYPDEW-UHFFFAOYSA-N;140.19;1.01;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC5_SNda";;;;;;;1.64;;0.05;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM437342;MM437342;C=C(F)C(C)=NOC=NN;XCPGPDJHGQUIEC-UHFFFAOYSA-N;145.14;0.76;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_C3";;;;;;;1.46;;-0.15;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM437343;MM437343;CNC=NC(=NN)OC=O;JQAAAPNMWBTEHR-UHFFFAOYSA-N;144.13;-1.36;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_P2";;;;;;;-1.06;;-3.82;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM437344;MM437344;C#CC1(C(=O)OCC)CC1;QXWVAUUAZRUWOR-UHFFFAOYSA-N;138.17;0.96;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_SC5";;;;;;;1.64;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM437345;MM437345;CC1C(=NN)CNN1C=O;YJTGGJLJPJBKNQ-UHFFFAOYSA-N;142.16;-1.33;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP2_SP3";;;;;;;-2.2;;-5.19;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM437346;MM437346;C#CCC1CN1C(=O)C#N;HPLYMGULDMFHQL-UHFFFAOYSA-N;134.14;-0.26;;;;;DOPC;MDCG;27;0;"MARTINI bead: P3_SP1";;;;;;;-1.93;;-4.72;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM437347;MM437347;CC1(CF)C=CC(=NN)O1;JIEXZLVBBBMDAK-UHFFFAOYSA-N;144.15;0.57;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNa_SNda";;;;;;;0.87;;-1.99;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM437348;MM437348;N#CC=C1CCC(=NO)N1;BBVLAGTVJWRFNU-UHFFFAOYSA-N;137.14;0.56;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP1_SNd";;;;;;;0.04;;-2.63;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM437349;MM437349;C=CCON=C(CC)CC;XOPNVXWWQNNSEQ-UHFFFAOYSA-N;141.21;2.37;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4_Na";;;;;;;2.2;;0.34;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM437350;MM437350;NN=CC(=O)ON=CCF;QQZIBLFNTOKKLP-UHFFFAOYSA-N;147.11;-0.57;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_Na";;;;;;;0.04;;-2.54;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM437351;MM437351;C#CC(=C)C1CC1CCC;MVSXLHZYTQSXOB-UHFFFAOYSA-N;134.22;2.61;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC2_C5";;;;;;;3.6;;0.34;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM437352;MM437352;Cc1c(N)[nH]n(C)c1=NO;CCQBTXMZFPKVCS-UHFFFAOYSA-N;142.16;-0.47;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP1_SP2";;;;;;;-1.06;;-3.82;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM437353;MM437353;CC1C(=NO)CNN1C=O;RCLGFOONDIWOLZ-UHFFFAOYSA-N;143.15;-0.82;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP2_SP3";;;;;;;-2.2;;-5.19;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM437354;MM437354;CC=C1CCC(NC=N)=N1;PGMWWEPMMJUFPM-UHFFFAOYSA-N;137.19;1.28;;;;;DOPC;MDCG;27;1;"MARTINI bead: SC5_SNd";;;;;;;1.64;;-1.5;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM437355;MM437355;C=CC(=NNC)ON=CC;NHQMCEXOQZXNAL-UHFFFAOYSA-N;141.17;0.73;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda_N0";;;;;;;1.17;;-1.13;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM437356;MM437356;C#CC1(C(=N)NOC)CN1;RFTRXWLYRPXIGN-UHFFFAOYSA-N;139.16;-0.91;;;;;DOPC;MDCG;27;0;"MARTINI bead: P3_SP3";;;;;;;-3.07;;-6.15;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM437357;MM437357;C=Cn1oc(N)c(F)c1=N;CBUANGQHRNSCRI-UHFFFAOYSA-N;143.12;0.38;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP1_SNda";;;;;;;0.04;;-2.73;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM437358;MM437358;C#CC(O)(C#N)CC(=O)O;XVBGOVURXFGLIZ-UHFFFAOYSA-N;139.11;-0.65;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_P1";;;;;;;-0.79;;-8.4;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM437359;MM437359;CC1C(=CF)CON1C=O;IQBTURBJDPWPDB-UHFFFAOYSA-N;145.13;0.63;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP1_SP1";;;;;;;-0.79;;-3.13;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM437360;MM437360;CCC(CC)=NOCC#N;MDYIISUMMSOCAE-UHFFFAOYSA-N;140.19;1.7;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_P1";;;;;;;0.81;;-0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM437362;MM437362;N=CNC1=NC(=CF)CC1;LZHRRAKINUENSV-UHFFFAOYSA-N;141.15;1.19;;;;;DOPC;MDCG;27;1;"MARTINI bead: SC5_SNd";;;;;;;1.64;;-1.17;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM437361;MM437361;Oc1conn1;KWYVCFQNDPCMSX-UHFFFAOYSA-N;86.05;-0.22;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP1_SP2";;;;;;;-1.06;;-8.56;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM437363;MM437363;C#CC1(C(=N)NN=C)CC1;UASZEVKRFVKMQK-UHFFFAOYSA-N;135.17;0.58;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_SC5";;;;;;;0.54;;-1.09;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM437364;MM437364;N#CCCOCC(=O)O;XLOJPFNIAXIWBY-UHFFFAOYSA-N;129.12;;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_P1";;;;;;;-0.79;;-8.4;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM437365;MM437365;CC1C(=NO)CON1C=O;BNVUABYVCVQFSI-UHFFFAOYSA-N;144.13;-0.39;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP1_SP2";;;;;;;-1.06;;-3.82;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM437366;MM437366;C#CC1(C(=C)OCC)CN1;OUGRRHCHASVBBB-UHFFFAOYSA-N;137.18;0.51;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_SP3";;;;;;;-0.33;;-2.01;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM437367;MM437367;CCC(C=O)N1CC1(C)C;RFQOXTVSLPDHQW-UHFFFAOYSA-N;141.21;1.06;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_SP1";;;;;;;-0.79;;-3.13;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM437368;MM437368;CC#CC(=NNCC)OC;HFTBOYBNMIIDBQ-UHFFFAOYSA-N;140.19;0.58;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda_N0";;;;;;;1.17;;-1.13;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM437369;MM437369;C#CC(=C)C1NC1CCN;LFRSUMJYQRQGLS-UHFFFAOYSA-N;136.2;-0.14;;;;;DOPC;MDCG;27;1;"MARTINI bead: SP2_N0";;;;;;;0.06;;-4.65;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM437370;MM437370;CN1C(=NN)CCN1C=N;KBDFIIRGGYGFIY-UHFFFAOYSA-N;141.18;-0.58;;;;;DOPC;MDCG;27;1;"MARTINI bead: SP2_SP3";;;;;;;-2.2;;-6.69;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM437371;MM437371;Cc1c(N)[nH]n(N)c1=NO;MVIGRMVFQNCTQT-UHFFFAOYSA-N;143.15;-1.29;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP1_SP2";;;;;;;-1.06;;-3.82;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM437372;MM437372;C#CC1(C(=C)CCN)CO1;KEKYHEQMQHZQGU-UHFFFAOYSA-N;137.18;0.29;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1_SNa";;;;;;;0.04;;-5.28;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM437373;MM437373;CN=C1CCC(NC=N)=N1;PFURGSGYVBEUDW-UHFFFAOYSA-N;138.17;0.4;;;;;DOPC;MDCG;27;1;"MARTINI bead: SN0_SNd";;;;;;;1.17;;-2.12;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM437374;MM437374;C=CCON=C(CN)CO;AFYYWIZGYDFCRN-UHFFFAOYSA-N;144.17;-0.5;;;;;DOPC;MDCG;27;1;"MARTINI bead: P4_Na";;;;;;;-1.19;;-5.79;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM437375;MM437375;CN1C(=NO)CCN1C=O;DNGRELVOPBVWOJ-UHFFFAOYSA-N;143.15;-0.52;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP2_SP3";;;;;;;-2.2;;-5.19;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM437376;MM437376;O=C(O)C(F)(F)C#CCO;OQUWFCMTCKXKJK-UHFFFAOYSA-N;150.08;-0.3;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_N0";;;;;;;0.34;;-6.78;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM437377;MM437377;C=CCn1ccc(NN)n1;NUJHKYIKELYTSZ-UHFFFAOYSA-N;138.17;0.35;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP1_SNa";;;;;;;0.04;;-2.54;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM437378;MM437378;C#CC1(C(=C)CCF)CO1;IHZPRVCNXSRLBK-UHFFFAOYSA-N;140.16;1.3;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_SNa";;;;;;;1.64;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM437379;MM437379;N#CCON=C(CO)CF;QDTRCPBAFZQULB-UHFFFAOYSA-N;146.12;-0.16;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_P2";;;;;;;-0.24;;-3.24;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM437380;MM437380;CNC(=NN=C(C)C)OC;BORHHGLAXYRXPE-UHFFFAOYSA-N;143.19;0.6;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_C5";;;;;;;0.54;;-1.09;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM437381;MM437381;C=Nn1onc(O)c1=O;GURISFGGYOYLLW-UHFFFAOYSA-N;129.08;-0.99;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP1_SP2";;;;;;;-1.06;;-8.81;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM437382;MM437382;C#CC(=C)C1NC1CNC;LDJWUGREWFWATQ-UHFFFAOYSA-N;136.2;-0.26;;;;;DOPC;MDCG;27;1;"MARTINI bead: SP2_N0";;;;;;;0.06;;-4.35;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM437383;MM437383;C#CC1CCC(=CF)C1C;DFGWDVYSWSSQAY-UHFFFAOYSA-N;138.19;2.52;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC4_SC3";;;;;;;3.9;;0.47;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM437384;MM437384;C#CC1(C(=O)NCC)CO1;WWMHIANUPMFZCW-UHFFFAOYSA-N;139.15;-0.48;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_SNa";;;;;;;0.04;;-2.54;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM437385;MM437385;COC(CO)=NOCC=O;OTLKSVZZNCJIHH-UHFFFAOYSA-N;147.13;-0.85;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_P2";;;;;;;-1.34;;-4.31;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM437386;MM437386;C=NN=C1CCC(=NO)N1;GGRUHNJFRMLCOW-UHFFFAOYSA-N;140.15;0.17;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP1_SN0";;;;;;;0.34;;-1.53;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM437387;MM437387;C=C(CC)C(C)C(O)CC;YTRKUIPZEBIJTJ-UHFFFAOYSA-N;142.24;2.36;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda_C1";;;;;;;2.91;;0.57;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM437388;MM437388;N=c1c(=O)oc(O)nn1N;YAQPZBONHGTHDT-UHFFFAOYSA-N;144.09;-2.26;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP3_SP3";;;;;;;-3.07;;-10.26;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM437389;MM437389;C#CC(=C)C1OC1CCC;JKDZGSJRJIWPSH-UHFFFAOYSA-N;136.19;1.74;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNa_N0";;;;;;;1.17;;-1.18;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM437390;MM437390;C#CC1(C(=O)NNC)CO1;GVLULBFTALUNPL-UHFFFAOYSA-N;140.14;-1.36;;;;;DOPC;MDCG;27;0;"MARTINI bead: P4_SNa";;;;;;;-1.19;;-4.76;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM437391;MM437391;CNn1nc(N)ncc1=O;WFBUWWOUGHYYPG-UHFFFAOYSA-N;141.13;-1.61;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP2_SP3";;;;;;;-2.2;;-5.19;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM437392;MM437392;C=CC=C1CNC(=NC)N1;OSGUPNLOTSONOE-UHFFFAOYSA-N;137.19;0.23;;;;;DOPC;MDCG;27;1;"MARTINI bead: SP1_SP1";;;;;;;-0.79;;-6.77;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM437393;MM437393;C#CC1CCC(=NN)C1C;UPBPQTYYMJGKKU-UHFFFAOYSA-N;136.2;0.98;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC4_SC5";;;;;;;2.97;;0.45;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM437394;MM437394;C#CC(=C)C1OC1CCN;WRDNPDYEBKFQKF-UHFFFAOYSA-N;137.18;0.29;;;;;DOPC;MDCG;27;1;"MARTINI bead: SP1_N0";;;;;;;0.34;;-4.25;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM437395;MM437395;C#CC(O)(C(=O)O)C(=O)O;VAOPGPURYSQNMA-UHFFFAOYSA-N;144.08;-1.48;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_P2";;;;;;;-1.06;;-8.82;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM437396;MM437396;CC(=O)C(=O)NOC=NO;UHQMQIUAOPOMHQ-UHFFFAOYSA-N;146.1;-0.96;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_P3";;;;;;;-1.1;;-8.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM437397;MM437397;N=c1nc(C=O)c(N)no1;ASGHXXWSISNTGJ-UHFFFAOYSA-N;140.1;-1.06;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP3_SP2";;;;;;;-2.2;;-5.19;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM437398;MM437398;C=CC=C1CNC(=NN)N1;YRPIKXIGLBOWCA-UHFFFAOYSA-N;138.17;-0.52;;;;;DOPC;MDCG;27;1;"MARTINI bead: SP2_SP1";;;;;;;-1.06;;-5.97;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM437399;MM437399;C#CC1CCC(=NO)C1C;NHOOZUJISMYVMP-UHFFFAOYSA-N;137.18;1.5;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC4_SNda";;;;;;;2.2;;0.49;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM437400;MM437400;C#CC(=O)C1OC1CCC;OMDPERWMJGIWBQ-UHFFFAOYSA-N;138.17;0.76;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNa_P1";;;;;;;0.04;;-2.54;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM437401;MM437401;NN=c1c(N)c(N)[nH]n1N;PAYNCWUOLSTZNR-UHFFFAOYSA-N;143.15;-2.53;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP3_SP1";;;;;;;-1.93;;-4.72;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM437402;MM437402;C#CC1(C(=C)CC=C)CC1;BJMCCJCUJWTXKF-UHFFFAOYSA-N;132.21;2.53;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4_SC5";;;;;;;2.97;;0.45;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM437403;MM437403;C#CC(=CC)OC=NNC;VIZVLDXDIVFBMU-UHFFFAOYSA-N;138.17;0.7;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_C4";;;;;;;1.09;;-0.38;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM437404;MM437404;CN=C1N=C(NC=N)CN1;JKVGMSAKJMXNHS-UHFFFAOYSA-N;139.16;-0.83;;;;;DOPC;MDCG;27;1;"MARTINI bead: SP1_SP3";;;;;;;-1.93;;-7.91;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM437405;MM437405;C#CC1CN=C(NN)C1C;NNNNPDPGVPEKNK-UHFFFAOYSA-N;137.19;-0.25;;;;;DOPC;MDCG;27;1;"MARTINI bead: SN0_SNd";;;;;;;1.17;;-3.12;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM437406;MM437406;C#CC(=C)C1OC1CNC;YGKBVCLELZFZCT-UHFFFAOYSA-N;137.18;0.16;;;;;DOPC;MDCG;27;1;"MARTINI bead: SP2_N0";;;;;;;0.06;;-4.44;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM437407;MM437407;O=c1onc(O)c(=O)n1O;ULWITYUZRUCPFF-UHFFFAOYSA-N;146.06;-1.86;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP2_SP3";;;;;;;-2.2;;-9.58;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM437408;MM437408;C#CC1(C(=C)CC=O)CC1;IQFWOFNJZXDBRX-UHFFFAOYSA-N;134.18;1.55;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_SC5";;;;;;;1.64;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM437409;MM437409;N=CNC1=NC(=NN)NC1;PDSFUKZUSAULGK-UHFFFAOYSA-N;140.15;-1.59;;;;;DOPC;MDCG;27;1;"MARTINI bead: SP2_SP3";;;;;;;-2.2;;-6.53;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM437410;MM437410;C=CCON=C(OC)OC;PTJDOQBQLQJALB-UHFFFAOYSA-N;145.16;0.75;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_C4";;;;;;;1.37;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM437411;MM437411;C#CC1OCC(=CF)C1C;VACXGQQAPHGPJR-UHFFFAOYSA-N;140.16;1.51;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNa_SNa";;;;;;;0.87;;-2.22;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM437412;MM437412;CN=c1c(O)c(N)[nH]n1C;MIFKCMYFFIKDOR-UHFFFAOYSA-N;142.16;-0.83;;;;;DOPC;MDCG;27;1;"MARTINI bead: SP2_SP1";;;;;;;-1.06;;-7.22;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM437413;MM437413;N#CC12CC1CC(C=O)N2;DJOIVOOUUWJQGD-UHFFFAOYSA-N;136.15;-0.17;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP1_SP1";;;;;;;-0.79;;-3.13;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM437414;MM437414;C#CC1(C(=C)NC=N)CC1;BWONQSKNRCEVLO-UHFFFAOYSA-N;134.18;1.11;;;;;DOPC;MDCG;27;1;"MARTINI bead: P2_SC5";;;;;;;0.54;;-4.71;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM437415;MM437415;C=CC(=C)C(O)C(C)C=C;XVVPNESYWPDVLF-UHFFFAOYSA-N;138.21;1.91;;;;;DOPC;MDCG;27;0;"MARTINI bead: C3_Nda";;;;;;;2.57;;0.44;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM437416;MM437416;C#CCCC=C(CC)CC;OHGCYBXTQREKCQ-UHFFFAOYSA-N;136.24;3.15;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1_C5";;;;;;;3.68;;0.46;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM437417;MM437417;C#CC1OCC(=NN)C1C;AWINZOZOKFRQNH-UHFFFAOYSA-N;138.17;-0.03;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNa_SNd";;;;;;;0.87;;-1.88;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM437418;MM437418;O=C(O)n1oncc1=O;LFUGHVXFCKXQLL-UHFFFAOYSA-N;130.06;-0.64;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP4_SP1";;;;;;;-2.01;;-9.08;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM437419;MM437419;C#CC(=N)N1CC1CCN;COMBNNZMOHWGEY-UHFFFAOYSA-N;137.19;-0.37;;;;;DOPC;MDCG;27;1;"MARTINI bead: SP2_P2";;;;;;;-1.34;;-6.43;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM437420;MM437420;C#CC1(C(=C)NC=O)CC1;RVWLVFXIHJNVKZ-UHFFFAOYSA-N;135.17;0.66;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_SC5";;;;;;;0.54;;-1.09;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM437421;MM437421;C=CC=C1COC(=NO)N1;LBVWSHXORGYIIZ-UHFFFAOYSA-N;140.14;0.42;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP2_SP1";;;;;;;-1.06;;-3.82;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM437422;MM437422;C#CCCC=C(CC)CN;GGORNPRMANAPER-UHFFFAOYSA-N;137.23;1.69;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_C5";;;;;;;1.64;;-2.14;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM437423;MM437423;C#CC1OCC(=NO)C1C;MNYCLZSDKAVPMK-UHFFFAOYSA-N;139.15;0.48;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNa_SP1";;;;;;;0.04;;-2.54;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM437424;MM437424;CN=C1CNC(=CC=O)N1;GSYMCZQHCRXEAB-UHFFFAOYSA-N;139.16;-0.75;;;;;DOPC;MDCG;27;1;"MARTINI bead: SP2_SP1";;;;;;;-1.06;;-6.2;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM437425;MM437425;Cc1nnoc1O;NVRSPIKUPKOSIY-UHFFFAOYSA-N;100.08;0.08;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP1_SP1";;;;;;;-0.79;;-8.41;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM437426;MM437426;C#CC1(C(=N)NC=N)CC1;IGDQPMAKOMEXOA-UHFFFAOYSA-N;135.17;0.57;;;;;DOPC;MDCG;27;1;"MARTINI bead: P4_SC5";;;;;;;-0.41;;-4.38;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM437427;MM437427;C#CC(=O)N1CC1CCC;DPNHVKKXOATPRS-UHFFFAOYSA-N;137.18;0.63;;;;;DOPC;MDCG;27;0;"MARTINI bead: SN0_P2";;;;;;;0.06;;-2.21;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM437428;MM437428;C#CC(=CF)OC=NNC;MERAPHULQGJEGN-UHFFFAOYSA-N;142.13;0.61;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_C5";;;;;;;0.54;;-1.09;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM437429;MM437429;C#CC1CNC(=NC)N1C;QPGIXIJCYHYWSI-UHFFFAOYSA-N;137.19;-0.49;;;;;DOPC;MDCG;27;1;"MARTINI bead: SNd_SP3";;;;;;;-1.1;;-7.49;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM437430;MM437430;NN=c1nnnnc(=O)[nH]1;AMSUYIXCXLJEAW-UHFFFAOYSA-N;141.09;-3.27;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP5_SP3";;;;;;;-3.08;;-10.29;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM437431;MM437431;C#CC1(C(=O)NC=C)CC1;PMWIVBIANNFQMX-UHFFFAOYSA-N;135.17;0.66;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_SC5";;;;;;;0.54;;-1.09;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM437432;MM437432;CN=C1CNC(=CC#N)N1;VVYHATRFFQWVQX-UHFFFAOYSA-N;136.16;-0.43;;;;;DOPC;MDCG;27;1;"MARTINI bead: SP2_SP1";;;;;;;-1.06;;-5.95;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM437433;MM437433;C#CC(=O)N1CC1CCN;ZGTKLVATRNFJMD-UHFFFAOYSA-N;138.17;-0.82;;;;;DOPC;MDCG;27;1;"MARTINI bead: SP2_P2";;;;;;;-1.34;;-6.66;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM437434;MM437434;C#CCCC=C(CC)CF;VZGDSJMBWMJUAD-UHFFFAOYSA-N;140.2;2.71;;;;;DOPC;MDCG;27;0;"MARTINI bead: C3_C5";;;;;;;3.34;;0.48;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM437435;MM437435;C#CCCC(O)C(C)CC;BEUOCKJMVLSUHP-UHFFFAOYSA-N;140.23;1.81;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1_Nda";;;;;;;2.91;;0.57;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM437436;MM437436;Cn1nc(O)oc1=O;VPLZANSBSPXHJR-UHFFFAOYSA-N;116.08;-0.92;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP1_SP3";;;;;;;-1.93;;-9.05;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM437437;MM437437;C#CC(=N)N1CC1CNC;QRCSIVZDEGHUEA-UHFFFAOYSA-N;137.19;-0.5;;;;;DOPC;MDCG;27;1;"MARTINI bead: SP2_P2";;;;;;;-1.34;;-6.07;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM437438;MM437438;C=CN(NC)C(=N)C(C)=O;DITJYRRIJZBREC-UHFFFAOYSA-N;141.17;0.13;;;;;DOPC;MDCG;27;0;"MARTINI bead: P3_Na";;;;;;;-1.1;;-4.2;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM437439;MM437439;C#CCCC=C(CN)CO;NQCDHKGFQGNKEP-UHFFFAOYSA-N;139.2;0.28;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1_N0";;;;;;;0.34;;-3.41;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM437440;MM437440;C=CC=NNCC(=C)C#N;UEAHBHXRYDLIQA-UHFFFAOYSA-N;135.17;0.83;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nd_N0";;;;;;;1.17;;-1.04;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM437441;MM437441;C=C1C(=CF)CCC1CF;FAIZNINZYJIHLW-UHFFFAOYSA-N;144.16;2.78;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC3_SC4";;;;;;;3.9;;0.47;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM437442;MM437442;N#CC1NC1C(=O)O;KBNNPKPWFNRCHH-UHFFFAOYSA-N;112.09;-1.07;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_SP2";;;;;;;-1.06;;-8.82;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM437443;MM437443;C#CC1(C(=O)NC=O)CC1;ICILUHYYYLIGLS-UHFFFAOYSA-N;137.14;-0.33;;;;;DOPC;MDCG;27;0;"MARTINI bead: P4_SC5";;;;;;;-0.41;;-2.78;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM437444;MM437444;C#CC(=C)C1CC1CC=C;MRKKTBSUNHREIW-UHFFFAOYSA-N;132.21;2.39;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC4_C5";;;;;;;2.97;;0.45;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM437445;MM437445;N#CC=C1NCC(=NO)N1;QJPCULZOBJDCSF-UHFFFAOYSA-N;138.13;-0.67;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP3_SP1";;;;;;;-1.93;;-4.72;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM437446;MM437446;C#CCCC=C(CN)CF;SHNOLODDCNTYNB-UHFFFAOYSA-N;141.19;1.25;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1_C5";;;;;;;0.81;;-2.65;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM437447;MM437447;C=C1C(=NN)CCC1CC;XSFPNDNFNPPKKD-UHFFFAOYSA-N;138.21;1.68;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC1_SC5";;;;;;;3.68;;0.46;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM437448;MM437448;CN=c1c(C)c(C)on1C;FKWIVDUSGJJIAM-UHFFFAOYSA-N;140.19;0.77;;;;;DOPC;MDCG;27;1;"MARTINI bead: SP1_SN0";;;;;;;0.34;;-3.01;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM437449;MM437449;N=CN=C1NCC(=CF)N1;GEZJNRAAXFJYST-UHFFFAOYSA-N;142.14;-0.05;;;;;DOPC;MDCG;27;1;"MARTINI bead: SP2_SP2";;;;;;;-1.34;;-5.79;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM437450;MM437450;C#CC(=C)C1CC1CC=O;OSFAEXOCWCUXPC-UHFFFAOYSA-N;134.18;1.4;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_SNa";;;;;;;1.64;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM437451;MM437451;C=NOCCC(=O)C(=C)F;JTMLMXMZGKKIIX-UHFFFAOYSA-N;145.13;1.06;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_Na";;;;;;;0.87;;-2.22;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM437452;MM437452;C#CCCC=C(CO)CF;RUVQEDLQBSVSOQ-UHFFFAOYSA-N;142.17;1.29;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda_C5";;;;;;;1.64;;0.05;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM437453;MM437453;CC=CCC(O)C(C)CC;FJVBCQBHVPIXLN-UHFFFAOYSA-N;142.24;2.36;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1_C5";;;;;;;3.68;;0.46;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM437454;MM437454;Cc1on(C)c(=NO)c1C;DSNCGNUDNOUNCD-UHFFFAOYSA-N;142.16;0.52;;;;;DOPC;MDCG;27;0;"MARTINI bead: SN0_SP1";;;;;;;0.34;;-1.53;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM437455;MM437455;C#CC1(C(=O)NN=C)CC1;LNOACGMMTAHPOD-UHFFFAOYSA-N;136.15;0.13;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_SC5";;;;;;;0.54;;-1.09;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM437456;MM437456;C#CC(=C)C1CC1CC#N;ZYAJHAGFLSJQCN-UHFFFAOYSA-N;131.18;1.73;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_SC5";;;;;;;2.41;;0.64;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM437457;MM437457;C#CCCC=C(CF)CF;ZXTQTMGIGBDWNQ-UHFFFAOYSA-N;144.16;2.27;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_C5";;;;;;;2.41;;0.64;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM437458;MM437458;CN=C1NNC(=CC=O)N1;PTEQUXZCICSSBS-UHFFFAOYSA-N;140.15;-1.29;;;;;DOPC;MDCG;27;1;"MARTINI bead: SP3_SP3";;;;;;;-3.07;;-9.07;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM437459;MM437459;C=C1C(=CC)CCC1NC;WGWZRFCMVISPFV-UHFFFAOYSA-N;137.23;1.87;;;;;DOPC;MDCG;27;1;"MARTINI bead: SNd_SC1";;;;;;;2.91;;-0.25;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM437460;MM437460;C#CC(=O)C1CC1CC=C;YVSMYVRYHARBJR-UHFFFAOYSA-N;134.18;1.4;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC4_Na";;;;;;;2.2;;0.34;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM437461;MM437461;C#CC1(C(=C)OC=C)CC1;MGONTIXUCSPFMU-UHFFFAOYSA-N;134.18;2.07;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_SC5";;;;;;;2.41;;0.64;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM437462;MM437462;CN=c1c(C)c(N)on1C;HWODAMIZMHTSPY-UHFFFAOYSA-N;141.17;0.04;;;;;DOPC;MDCG;27;1;"MARTINI bead: SP1_SNd";;;;;;;0.04;;-4.05;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM437463;MM437463;C#CCCC=C(CC)OC;CWCHOTJGWHRWNC-UHFFFAOYSA-N;138.21;2.34;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4_C5";;;;;;;2.97;;0.45;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM437464;MM437464;CN=C1NNC(=CC#N)N1;BIKXJEMWCXQTKF-UHFFFAOYSA-N;137.15;-0.97;;;;;DOPC;MDCG;27;1;"MARTINI bead: SP3_SP2";;;;;;;-2.2;;-6.98;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM437465;MM437465;C=C1C(=NN)CCC1NC;IXPLHWOYVBRHLO-UHFFFAOYSA-N;139.2;0.24;;;;;DOPC;MDCG;27;1;"MARTINI bead: SNd_SC5";;;;;;;1.64;;-1.86;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM437466;MM437466;C#CC(=C)C1CC1NC=N;JESNGXWGQBKOIO-UHFFFAOYSA-N;134.18;0.76;;;;;DOPC;MDCG;27;1;"MARTINI bead: C5_SP1";;;;;;;0.81;;-4.51;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM437467;MM437467;Cc1c(N)on(C)c1=NO;XCURYAOOMCFUDK-UHFFFAOYSA-N;143.15;-0.2;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNd_SP1";;;;;;;0.04;;-2.63;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM437468;MM437468;C#CCOC=C(CC)CC;QZBRQZXNQKFKMG-UHFFFAOYSA-N;138.21;2.34;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1_P2";;;;;;;1.8;;0.4;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM437469;MM437469;C#CC1(C(=C)OC=O)CC1;YCEXBFWGXNXKMN-UHFFFAOYSA-N;136.15;1.09;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_SC5";;;;;;;1.64;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM437470;MM437470;C=C1C(=NO)CCC1NC;XNVYYSWGYQPXPR-UHFFFAOYSA-N;140.19;0.75;;;;;DOPC;MDCG;27;1;"MARTINI bead: SNd_SNda";;;;;;;0.87;;-3.85;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM437471;MM437471;N#CC=C1NNC(=NO)N1;OYRFGLCRKNXZAB-UHFFFAOYSA-N;139.12;-1.21;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP5_SP2";;;;;;;-2.22;;-6.53;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM437472;MM437472;C#CC(=C)C1CC1NN=C;YNWSNJLPGASLRY-UHFFFAOYSA-N;134.18;0.77;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNd_C5";;;;;;;1.64;;0.02;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM437473;MM437473;C#CCOC=C(CC)CO;QLHSFMQDXUXPCD-UHFFFAOYSA-N;140.18;0.92;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_P2";;;;;;;0.54;;-1.09;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM437474;MM437474;C#CC1(C(=O)OC=C)CC1;GSHAWDZZNCCQDF-UHFFFAOYSA-N;136.15;1.09;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_SC5";;;;;;;1.64;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM437475;MM437475;N#CCNC(=O)CC(=O)O;KVJLLKSBBWMPMR-UHFFFAOYSA-N;142.11;-0.9;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_P2";;;;;;;-1.06;;-8.83;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM437476;MM437476;C=C1C(=NN)CCC1OC;QKZFAQXQKUPALI-UHFFFAOYSA-N;140.19;0.67;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC5_SC5";;;;;;;2.41;;0.64;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM437477;MM437477;C=CC(F)C=NOC=NN;IRSBAEDMDFAYQV-UHFFFAOYSA-N;145.14;0.41;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_C4";;;;;;;1.09;;-0.38;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM437478;MM437478;C#CCOC=C(CC)CF;FIYYKYKKOXFHSD-UHFFFAOYSA-N;142.17;1.9;;;;;DOPC;MDCG;27;0;"MARTINI bead: C3_P2";;;;;;;1.46;;-0.15;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM437479;MM437479;C#CC(=C)C1CC1OC=C;GNUULNYFTWYDBV-UHFFFAOYSA-N;134.18;1.72;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNa_C5";;;;;;;1.64;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM437480;MM437480;C#CC1(C(=C)CC#N)CN1;XYOJLKPJFJPJOV-UHFFFAOYSA-N;132.17;0.43;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_SP1";;;;;;;-0.79;;-3.13;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM437481;MM437481;C=C1C(NN)=NCC1CC;OMFNUAUYQZSFMC-UHFFFAOYSA-N;139.2;0.44;;;;;DOPC;MDCG;27;1;"MARTINI bead: SC4_SNd";;;;;;;2.2;;-1.74;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM437482;MM437482;C=CC1(C)C=CC(=NN)O1;DLQWBMDNYYLEPV-UHFFFAOYSA-N;138.17;0.79;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC5_SNda";;;;;;;1.64;;0.05;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM437483;MM437483;C=CC=C1NC(=NO)CO1;XVHNHDKIQOYIIV-UHFFFAOYSA-N;140.14;0.42;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP2_SNda";;;;;;;-0.24;;-3.31;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM437484;MM437484;C#CCOC=C(CN)OC;QBNCBJBXUAUZFL-UHFFFAOYSA-N;141.17;0.08;;;;;DOPC;MDCG;27;1;"MARTINI bead: P2_Na";;;;;;;-0.24;;-4.61;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM437485;MM437485;C#CC1NN=C(C#N)C1C;GORMZZXOLLAYEI-UHFFFAOYSA-N;133.15;0.11;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP1_SP1";;;;;;;-0.79;;-3.13;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM437486;MM437486;C#CC1(C(=C)NC=N)CN1;OYBWAFPINSUVPN-UHFFFAOYSA-N;135.17;-0.33;;;;;DOPC;MDCG;27;1;"MARTINI bead: P2_SP3";;;;;;;-2.2;;-8.45;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM437487;MM437487;C#CC1(C)C=CC(=NN)O1;LUURNCPYOJGURB-UHFFFAOYSA-N;136.15;0.24;;;;;DOPC;MDCG;27;0;"MARTINI bead: SN0_SNda";;;;;;;1.17;;-1.13;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM437488;MM437488;C=C(C=O)C(C)=NN=CN;QKCSXKOLJJTRRV-UHFFFAOYSA-N;139.16;0.1;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nd_Na";;;;;;;0.87;;-1.88;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM437489;MM437489;N#CC=C1NC(=NO)CO1;WRIMOBBMDFITIW-UHFFFAOYSA-N;139.11;-0.24;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP2_SNda";;;;;;;-0.24;;-3.31;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM437490;MM437490;C#CC(=C)C1OC1CC=C;FHILKALIZGDEJA-UHFFFAOYSA-N;134.18;1.52;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNa_N0";;;;;;;1.17;;-1.18;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM437491;MM437491;C#CCCNC(CO)=NO;BEZNAEDWPPKFBK-UHFFFAOYSA-N;142.16;-0.62;;;;;DOPC;MDCG;27;0;"MARTINI bead: P3_C5";;;;;;;-0.33;;-2.01;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM437492;MM437492;C=CC(C)C(C)C1(O)CC1;OJNKZAHZZFKCGK-UHFFFAOYSA-N;140.23;1.97;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1_SP1";;;;;;;2.08;;0.48;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM437493;MM437493;C=C1C(=NO)CNC1CC;QSGAWSPRUCPKSJ-UHFFFAOYSA-N;140.19;0.75;;;;;DOPC;MDCG;27;1;"MARTINI bead: SNd_SP2";;;;;;;-0.24;;-4.3;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM437494;MM437494;CC(=NOC=NN)C(F)F;IVVLQEQTLNGWFZ-UHFFFAOYSA-N;151.12;0.55;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda_N0";;;;;;;1.17;;-1.13;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM437495;MM437495;C=CC=C1CCC(=CC)O1;SRVSNWVXGAIYNN-UHFFFAOYSA-N;136.19;2.77;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC5_SC5";;;;;;;2.41;;0.64;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM437496;MM437496;C#CC(=O)C1OC1CC=C;RWHUUCZBXBBOGT-UHFFFAOYSA-N;136.15;0.53;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNa_P1";;;;;;;0.04;;-2.54;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM437497;MM437497;C=CC1=CC(=O)N(N)CC1;AKQDEAIJGIKFMY-UHFFFAOYSA-N;138.17;0.2;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP1_SN0";;;;;;;0.34;;-1.53;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM437498;MM437498;C=C1C(NC)=NNC1CC;KDWJHFAJSFCJRM-UHFFFAOYSA-N;139.2;0.46;;;;;DOPC;MDCG;27;1;"MARTINI bead: SNd_SP1";;;;;;;0.04;;-4.41;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM437499;MM437499;C#CC1(C(=N)NC=N)CN1;CJQYIORUWYZLGR-UHFFFAOYSA-N;136.16;-0.86;;;;;DOPC;MDCG;27;1;"MARTINI bead: P4_SP3";;;;;;;-3.15;;-8.1;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM437500;MM437500;CCC(CC)OC(C)=NN;DCMXECOQOWSJNO-UHFFFAOYSA-N;144.22;1.48;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1_P2";;;;;;;1.8;;0.4;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM437501;MM437501;CC=C1CCC(=CC#N)O1;APACEVHAPSNRCU-UHFFFAOYSA-N;135.17;2.11;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC5_SNa";;;;;;;1.64;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM437502;MM437502;C#CC(=O)C1OC1CC#N;IOMJFWQDAJARHE-UHFFFAOYSA-N;135.12;-0.13;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_SNa";;;;;;;0.04;;-2.54;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM437503;MM437503;C#CCNN=C(CC)CC;SHAUFKLCUXWNIJ-UHFFFAOYSA-N;138.21;1.39;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4_P2";;;;;;;1.09;;-0.38;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM437504;MM437504;C=CC(=O)C(C)=NN=CN;TUZIINCBFNUUPP-UHFFFAOYSA-N;139.16;0.1;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nd_Na";;;;;;;0.87;;-1.88;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM437505;MM437505;C#CC1(C(=N)NC=O)CN1;QMJGBCDXGRKYEQ-UHFFFAOYSA-N;137.14;-1.32;;;;;DOPC;MDCG;27;0;"MARTINI bead: P4_SP3";;;;;;;-3.15;;-6.87;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM437506;MM437506;CN=c1c(C)c(F)on1N;TVPVYBQZPZPDEW-UHFFFAOYSA-N;145.14;-0.23;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNa_SP1";;;;;;;0.04;;-2.54;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM437507;MM437507;C=CC=C1CCC(=CF)O1;PXPDCUWLHXLBKG-UHFFFAOYSA-N;140.16;2.68;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNa_SC5";;;;;;;1.64;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM437508;MM437508;FCC#CCNN=CCF;JHKKAVJEDFJNOX-UHFFFAOYSA-N;146.14;0.5;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda_Na";;;;;;;0.87;;-1.99;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM437509;MM437509;C=CNC1=NC(=NN)N=C1;UWCDEVJCLCXCNA-UHFFFAOYSA-N;137.15;-0.57;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP1_SNd";;;;;;;0.04;;-2.63;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM437510;MM437510;C=C1C(=NC)NNC1CN;OHXONIZMQRYLIL-UHFFFAOYSA-N;140.19;-0.99;;;;;DOPC;MDCG;27;1;"MARTINI bead: SP2_SP3";;;;;;;-2.2;;-7.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM437511;MM437511;N=c1c(N)nc(=O)on1N;JHIJGISDGVHHDY-UHFFFAOYSA-N;143.11;-2.39;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP3_SP2";;;;;;;-2.2;;-5.19;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM437512;MM437512;C=CC(CC)OC(C)=NN;CQEFNDRUFPHJGA-UHFFFAOYSA-N;142.2;1.26;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1_P2";;;;;;;1.8;;0.4;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM437513;MM437513;O=CC=C1CCC(=CF)O1;LBVSJEAGKDYMLN-UHFFFAOYSA-N;142.13;1.69;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNa_SNa";;;;;;;0.87;;-2.22;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM437514;MM437514;CN=NC=CNOCC#N;NKOCTDZMJIPWRE-UHFFFAOYSA-N;140.15;0.58;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_P2";;;;;;;0.54;;-1.09;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM437515;MM437515;NN=c1ncc(N)nn1N;OAPGEDZDYKWZSO-UHFFFAOYSA-N;141.14;-2.65;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP3_SP2";;;;;;;-2.2;;-5.19;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM437516;MM437516;C#CC(=O)C=CN(C)CC;OIIBJOAYUYOEOH-UHFFFAOYSA-N;137.18;0.65;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nd_Na";;;;;;;0.87;;-1.88;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM437517;MM437517;CC=Cn1nnc(O)n1;HOYWXMKACQVENN-UHFFFAOYSA-N;126.12;-0.13;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNa_SP1";;;;;;;0.04;;-8.14;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM437518;MM437518;N#CC=C1CCC(=CF)O1;GZVFCAZLTSNKIK-UHFFFAOYSA-N;139.13;2.02;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNa_SN0";;;;;;;1.17;;-1.18;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM437519;MM437519;C=CC(C=C)OC(C)=NN;XCWIONWQTFLFIN-UHFFFAOYSA-N;140.19;1.04;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_C2";;;;;;;1.72;;0.27;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM437520;MM437520;C#CCNN=C(NC)NN;SRPMBPDXJMLOCK-UHFFFAOYSA-N;141.18;-1.84;;;;;DOPC;MDCG;27;1;"MARTINI bead: P2_P2";;;;;;;-1.34;;-7.36;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM437521;MM437521;C#CCC1CC1C(=C)C#C;KQFKGBBIZBGEIE-UHFFFAOYSA-N;130.19;1.84;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_SC4";;;;;;;2.97;;0.45;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM437522;MM437522;CCOCC(F)C=NOC;YEKBKCBJOYZGBC-UHFFFAOYSA-N;149.17;0.99;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_Na";;;;;;;0.87;;-2.22;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM437523;MM437523;C=C1C(=CC)COC1CC;WFVZXORUSHNKJS-UHFFFAOYSA-N;138.21;2.3;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC5_SC5";;;;;;;2.41;;0.64;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM437524;MM437524;Cc1on(O)c(=NO)c1C;RWYLABZSOJLBGE-UHFFFAOYSA-N;144.13;0.23;;;;;DOPC;MDCG;27;0;"MARTINI bead: SN0_SP1";;;;;;;0.34;;-1.53;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM437525;MM437525;C=CN(C)C=NOC=NN;BLTMMTFBJDCRQM-UHFFFAOYSA-N;142.16;-0.08;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nd_P1";;;;;;;0.04;;-2.63;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM437526;MM437526;C#CCNN=C(NC)NO;UJKNQNMAHYRXKB-UHFFFAOYSA-N;142.16;-1.32;;;;;DOPC;MDCG;27;1;"MARTINI bead: P2_P2";;;;;;;-1.34;;-5.93;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM437527;MM437527;CCCN=CN=C(N)C=O;OUBAUJFNPGBHHI-UHFFFAOYSA-N;141.17;-0.02;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4_P3";;;;;;;0.23;;-1.03;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM437528;MM437528;Cc1nc(C)c(N)o1;SVHIXFYXUQBKLL-UHFFFAOYSA-N;112.13;0.87;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNa_SNd";;;;;;;0.87;;-1.88;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM437529;MM437529;C#CC(C=C)OC(C)=NN;APLFMBPJXOZHSN-UHFFFAOYSA-N;138.17;0.48;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_C5";;;;;;;0.54;;-1.09;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM437530;MM437530;C=CC=C1CCC(=NO)O1;WWZSJHRFEKKTHY-UHFFFAOYSA-N;139.15;1.65;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP1_SC5";;;;;;;0.81;;-0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM437531;MM437531;C=C1C(=CF)COC1CC;GHJSUCPNXFYCCO-UHFFFAOYSA-N;142.17;2.2;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC5_SNa";;;;;;;1.64;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM437532;MM437532;C#CCNN=C(NN)NN;DMFWAHSAQLTEQH-UHFFFAOYSA-N;142.17;-2.59;;;;;DOPC;MDCG;27;1;"MARTINI bead: P4_N0";;;;;;;-0.88;;-6.02;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM437533;MM437533;CC1=C(C)C(O)C(C)C1C;UNZRJDBPLYRKGJ-UHFFFAOYSA-N;140.23;1.97;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC1_SNda";;;;;;;2.91;;0.57;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM437534;MM437534;C#CCC1OC1C(=O)C#C;XTYTWWSYVUUBLS-UHFFFAOYSA-N;134.13;-0.02;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_SNa";;;;;;;0.04;;-2.54;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM437535;MM437535;Cc1c(N)on(O)c1=NO;DOIQWKVKOYPZBV-UHFFFAOYSA-N;145.12;-0.5;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNd_SP2";;;;;;;-0.24;;-3.16;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM437536;MM437536;C=C1C(=NN)COC1CC;SXPBSUSDDNQUHI-UHFFFAOYSA-N;140.19;0.67;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC5_SNd";;;;;;;1.64;;0.02;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM437537;MM437537;N#CC=C1CCC(=NO)O1;MQZHRBZPBKNREN-UHFFFAOYSA-N;138.13;0.99;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP1_SN0";;;;;;;0.34;;-1.53;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM437538;MM437538;N=c1c(N)nnnn1C=O;GEBHUIJPDBQMKU-UHFFFAOYSA-N;140.11;-2.23;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP2_SP3";;;;;;;-2.2;;-5.19;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM437539;MM437539;C#CC1(C(=C)OC=C)CN1;SNTCAELKXUQJBX-UHFFFAOYSA-N;135.17;0.64;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_SP3";;;;;;;-0.33;;-2.01;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM437540;MM437540;C=CCc1nnc(O)o1;ALBACPAOIAVXRI-UHFFFAOYSA-N;126.12;0.5;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP1_SNa";;;;;;;0.04;;-7.84;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM437541;MM437541;C#CC(C)C(=N)NN=C;ZRKIVZPALIEPDZ-UHFFFAOYSA-N;123.16;0.44;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_P2";;;;;;;0.54;;-1.09;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM437542;MM437542;C=C1C(NN)=NOC1CC;MPQWZTQRPMOIGJ-UHFFFAOYSA-N;141.17;0.13;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC5_SP1";;;;;;;0.81;;-0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM437543;MM437543;CC=C1CNC(=CC#N)O1;WUGXWSXBEIYQRL-UHFFFAOYSA-N;136.15;0.87;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP1_SNda";;;;;;;0.04;;-2.73;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM437544;MM437544;C#CCON=C(CC)CN;YGSVUDVMIHHXHZ-UHFFFAOYSA-N;140.19;0.36;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1_N0";;;;;;;0.34;;-2.96;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM437545;MM437545;C#CC1(C(=O)OC=C)CN1;OLQDFHNECHTSHZ-UHFFFAOYSA-N;137.14;-0.35;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_SP3";;;;;;;-1.1;;-4.2;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM437546;MM437546;Cc1[nH]nc(N)c(=O)c1F;BAXOHSJJEUITOP-UHFFFAOYSA-N;143.12;-0.2;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP1_SP2";;;;;;;-1.06;;-8.83;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM437547;MM437547;C#CCC1CN1C(=N)C#C;AWLVLHIKAPLIJY-UHFFFAOYSA-N;132.17;0.3;;;;;DOPC;MDCG;27;1;"MARTINI bead: P2_SP1";;;;;;;-1.06;;-5.37;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM437548;MM437548;CCn1onc(NN)c1=N;OPWWCUVPQYDOCB-UHFFFAOYSA-N;143.15;-0.74;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP2_SP1";;;;;;;-1.06;;-3.82;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM437549;MM437549;N#CC=C1NCC(=CF)O1;HPSWMVIXQBFGPI-UHFFFAOYSA-N;140.12;0.78;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP1_SNda";;;;;;;0.04;;-2.73;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM437550;MM437550;CNc1onnc(=N)c1F;YTYPFBZPJYOYEU-UHFFFAOYSA-N;144.11;-0.27;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP2_SP2";;;;;;;-1.34;;-4.31;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM437551;MM437551;C#CC(C#C)OC(C)=NN;SVTDOMSUQZAOLL-UHFFFAOYSA-N;136.15;-0.07;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_Nd";;;;;;;0.87;;-1.88;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM437552;MM437552;C#CC1(C(=C)NC=O)CO1;OHOMQAZKPQTSRB-UHFFFAOYSA-N;137.14;-0.35;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_SNa";;;;;;;-0.24;;-3.24;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM437553;MM437553;CC=CC1CC1C(C)CC;JTKHDHDXCJIVFQ-UHFFFAOYSA-N;138.25;3.24;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1_SC3";;;;;;;4.61;;0.31;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM437554;MM437554;C=CC(C)NC=NN=CC;NEUGSMULRIPBLE-UHFFFAOYSA-N;139.2;1.18;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_Nd";;;;;;;1.64;;0.02;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM437555;MM437555;N#CC=C1NCC(=NO)O1;FIQDQRMGKLNPFA-UHFFFAOYSA-N;139.11;-0.24;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP2_SNda";;;;;;;-0.24;;-3.31;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM437556;MM437556;C=Cc1[nH]nc(NC)c1N;KUEWAFTWAAEMDN-UHFFFAOYSA-N;138.17;0.68;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP1_SNd";;;;;;;0.04;;-2.63;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM437557;MM437557;CCC(C)CC(=NN)OC;GJXMQCHTTBURNG-UHFFFAOYSA-N;144.22;1.34;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1_Nda";;;;;;;2.91;;0.57;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM437558;MM437558;C#CC1(C(=N)NC=C)CO1;AQBUHMLHISYDQZ-UHFFFAOYSA-N;136.15;0.1;;;;;DOPC;MDCG;27;1;"MARTINI bead: P2_SNa";;;;;;;-0.24;;-4.43;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM437559;MM437559;CC=CC1CC1C(C)CN;WJCLAAPEPCRTCX-UHFFFAOYSA-N;139.24;1.79;;;;;DOPC;MDCG;27;1;"MARTINI bead: SC3_Nd";;;;;;;2.57;;-1.53;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM437560;MM437560;CCn1onc(NC)c1=O;SSGRYDYXNKNFHP-UHFFFAOYSA-N;143.15;-0.1;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP2_SNda";;;;;;;-0.24;;-3.31;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM437561;MM437561;O=CCONC(=O)C(=O)O;FRPJOXSGWFASCP-UHFFFAOYSA-N;147.09;-1.68;;;;;DOPC;MDCG;27;0;"MARTINI bead: P3_Na";;;;;;;-1.1;;-8.59;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM437562;MM437562;C#CCON=C(CO)OC;XEEYQWITBGSGOZ-UHFFFAOYSA-N;143.14;-0.41;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_Na";;;;;;;-0.24;;-3.24;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM437563;MM437563;CCC(=NN)OC(C)CC;KAPGETZFXDBCBH-UHFFFAOYSA-N;144.22;1.48;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1_P1";;;;;;;2.08;;0.48;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM437564;MM437564;C#CC1(C(=N)NC=N)CO1;BFFAHBXHKQLMAI-UHFFFAOYSA-N;137.14;-0.44;;;;;DOPC;MDCG;27;1;"MARTINI bead: P4_SNa";;;;;;;-1.19;;-5.75;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM437565;MM437565;CC=CC1CC1C(C)CF;JTLZNICCUDELBB-UHFFFAOYSA-N;142.22;2.8;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC3_C4";;;;;;;3.9;;0.47;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM437566;MM437566;CNC(=NOC)C(C)C=O;ZVBLLIVTORSGSF-UHFFFAOYSA-N;144.17;;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_Na";;;;;;;0.04;;-2.54;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM437567;MM437567;O=C(O)C(=O)OCCO;ZELZXAOKZAWHME-UHFFFAOYSA-N;134.09;-1.39;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_P1";;;;;;;-1.06;;-8.76;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM437568;MM437568;Cc1on(C)c(=NO)c1N;BBCJGDNCSJOHPQ-UHFFFAOYSA-N;143.15;-0.2;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNd_SP1";;;;;;;0.04;;-2.63;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM437569;MM437569;CC=NN=COC=NNC;NENQKHRJQKVZEI-UHFFFAOYSA-N;142.16;0.2;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_C5";;;;;;;0.54;;-1.09;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM437570;MM437570;C#CC1(C(=N)NC=O)CO1;APRKOWGMYDMNQL-UHFFFAOYSA-N;138.13;-0.89;;;;;DOPC;MDCG;27;0;"MARTINI bead: P4_SNa";;;;;;;-1.19;;-4.76;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM437571;MM437571;CC=CC1CC1C(N)CC;NNDMZORWVOUFQU-UHFFFAOYSA-N;139.24;1.94;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_SC3";;;;;;;2.57;;-1.78;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM437572;MM437572;CCn1onc(NO)c1=O;YFSNGHPIGYPABH-UHFFFAOYSA-N;145.12;-0.34;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP2_SP1";;;;;;;-1.06;;-3.82;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM437573;MM437573;C=CC1=NC(=CO)N=N1;BIEUQVOCZZCCOT-UHFFFAOYSA-N;123.12;1.39;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNda_SN0";;;;;;;1.17;;-6.34;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM437574;MM437574;C=CC(C)CC(=NN)OC;XRCZRWJITNERTL-UHFFFAOYSA-N;142.2;1.12;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda_C3";;;;;;;2.57;;0.44;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM437575;MM437575;CCC1(C)CC1(C)O;WRDARZUWCGWANB-UHFFFAOYSA-N;114.19;1.56;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_SNda";;;;;;;1.64;;0.05;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM437576;MM437576;C#CC1(C(=O)NC=C)CO1;UHBFCOBCUMUULD-UHFFFAOYSA-N;137.14;-0.35;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_SNa";;;;;;;-0.24;;-3.24;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM437577;MM437577;CC=CC1CC1C(N)CN;QYBSWEGZKDEMFC-UHFFFAOYSA-N;140.23;0.48;;;;;DOPC;MDCG;27;1;"MARTINI bead: SC3_P4";;;;;;;0.52;;-3.88;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM437578;MM437578;C#CC=C1CCC(=CC)C1;HFIFRVXZAAFURW-UHFFFAOYSA-N;132.21;2.68;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC1_SC4";;;;;;;4.24;;0.42;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM437579;MM437579;C#CCC(=CF)C(C)=NN;YLHLCKGNMGVONX-UHFFFAOYSA-N;140.16;1.2;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nd_C5";;;;;;;1.64;;0.02;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM437580;MM437580;Cn1oc(N)c(N)c1=NO;JPWPNRPGNVMZJZ-UHFFFAOYSA-N;144.13;-0.93;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP1_SP1";;;;;;;-0.79;;-3.13;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM437581;MM437581;C#CCON=C(NC)OC;ARSMBJSGQSIKQB-UHFFFAOYSA-N;142.16;-0.23;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_N0";;;;;;;0.34;;-1.53;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM437582;MM437582;CC=CC1CC1C(N)CO;OIDIMSJHQPCPIL-UHFFFAOYSA-N;141.21;0.52;;;;;DOPC;MDCG;27;1;"MARTINI bead: SC3_P3";;;;;;;0.6;;-3.18;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM437583;MM437583;C#CC1(C(=O)NC=O)CO1;LZGFMFDSJYJLNL-UHFFFAOYSA-N;139.11;-1.34;;;;;DOPC;MDCG;27;0;"MARTINI bead: P4_SNa";;;;;;;-1.19;;-4.76;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM437584;MM437584;Nc1c(N)c(F)n(N)c1F;YDTJMYMVFJEAKQ-UHFFFAOYSA-N;148.12;-0.36;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNda_SNda";;;;;;;0.87;;-2.07;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM437585;MM437585;C#CC=C1CCC(=CF)C1;QVIQDFIOLYBGPK-UHFFFAOYSA-N;136.17;2.58;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC4_SC4";;;;;;;3.53;;0.53;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM437586;MM437586;CN=c1c(N)c(F)on1C;DPDOICVPADVSAY-UHFFFAOYSA-N;145.14;-0.13;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP1_SNda";;;;;;;0.04;;-2.73;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM437587;MM437587;C#CCON=C(OC)OC;VHKIDUDPXIYLGV-UHFFFAOYSA-N;143.14;0.2;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_N0";;;;;;;0.34;;-1.53;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM437588;MM437588;C#CC1(C(=O)NN=C)CO1;CJJKBCOPQVLLSB-UHFFFAOYSA-N;138.13;-0.88;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_SNa";;;;;;;-0.24;;-3.24;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM437589;MM437589;CC=CC1CC1C(N)CF;XSNDXAJATMGMGO-UHFFFAOYSA-N;143.21;1.5;;;;;DOPC;MDCG;27;1;"MARTINI bead: SC3_P2";;;;;;;1.46;;-1.83;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM437590;MM437590;CNc1non(OC)c1=N;AKQVGTFBRFYGHV-UHFFFAOYSA-N;144.13;-0.94;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNda_SP2";;;;;;;-0.24;;-3.31;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM437591;MM437591;C#CC=C1CCC(=NN)C1;GCYMKNPGUKPJPH-UHFFFAOYSA-N;134.18;1.04;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNd_SC4";;;;;;;2.2;;0.32;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM437592;MM437592;C=CC(C)OC(CC)=NN;VQSFVSOLEABYBZ-UHFFFAOYSA-N;142.2;1.26;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_C3";;;;;;;1.74;;0.29;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM437593;MM437593;C=CC(=CCCCC)CC;QAICWTJKYLDDOW-UHFFFAOYSA-N;138.25;3.7;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1_C1";;;;;;;4.95;;0.69;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM437594;MM437594;CC(CF)C(F)C=NN;IVMKQEAMMBRTOO-UHFFFAOYSA-N;136.15;0.87;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_P1";;;;;;;0.81;;-0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM437595;MM437595;C#CC1(C(=C)OC=C)CO1;DYGACLMTFJGVMN-UHFFFAOYSA-N;136.15;1.06;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_SNa";;;;;;;1.64;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM437596;MM437596;C#CC=C1CCC(=NO)C1;MUCUZTHDPSWMOW-UHFFFAOYSA-N;135.17;1.56;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNda_SC4";;;;;;;2.2;;0.49;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM437597;MM437597;CC(=O)C(C)C1NC1C#N;XTOUXTKUTUWBND-UHFFFAOYSA-N;138.17;0.08;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP2_Na";;;;;;;-0.24;;-3.24;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM437598;MM437598;CN=c1c(N)c(C)on1N;BJQWFXCBLQNJBG-UHFFFAOYSA-N;142.16;-0.78;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP2_SN0";;;;;;;0.06;;-2.21;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM437599;MM437599;C=CC(=CCCCN)CC;QKGONGNRKRQEPY-UHFFFAOYSA-N;139.24;2.25;;;;;DOPC;MDCG;27;1;"MARTINI bead: C1_Nd";;;;;;;2.91;;-0.55;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM437600;MM437600;CC=CC1CC1C(O)CN;VJZJTCSHGLSVEC-UHFFFAOYSA-N;141.21;0.52;;;;;DOPC;MDCG;27;1;"MARTINI bead: SC3_P3";;;;;;;0.6;;-2.91;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM437601;MM437601;C#CCC(=C)C1(C#C)CN1;WHZVQXPDXBSGSS-UHFFFAOYSA-N;131.18;0.54;;;;;DOPC;MDCG;27;0;"MARTINI bead: N0_SP1";;;;;;;0.34;;-1.53;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM437602;MM437602;C#CC=C1CNC(=NC)C1;LWLCKWHTUMZQAK-UHFFFAOYSA-N;134.18;0.57;;;;;DOPC;MDCG;27;1;"MARTINI bead: SNd_SN0";;;;;;;1.17;;-4.48;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM437603;MM437603;CNc1non(OC)c1=O;QDDZROUIYCZEFD-UHFFFAOYSA-N;145.12;-1.06;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNda_SP2";;;;;;;-0.24;;-3.31;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM437604;MM437604;C#CC(C)CC(=NN)OC;NBBLJARZZSAZKW-UHFFFAOYSA-N;140.19;0.56;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4_P1";;;;;;;1.37;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM437605;MM437605;CCC1C(C)C1(C)O;GRXQYELSMMYGLX-UHFFFAOYSA-N;114.19;1.41;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_SNda";;;;;;;1.64;;0.05;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM437606;MM437606;CC=CC1CC1C(O)CO;DIVGKDVTFMYMLI-UHFFFAOYSA-N;142.2;0.55;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC3_P3";;;;;;;0.6;;-0.8;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM437607;MM437607;CCC1(CC)C(C)CC1C;WRMAAFCNPJZFGV-UHFFFAOYSA-N;140.27;3.47;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC1_SC3";;;;;;;4.61;;0.31;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM437608;MM437608;C#CC=C1CNC(=NN)C1;KWAQLZUAJJYBBQ-UHFFFAOYSA-N;135.17;-0.19;;;;;DOPC;MDCG;27;1;"MARTINI bead: SNd_SN0";;;;;;;1.17;;-2.15;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM437609;MM437609;CC=C(C=O)C=NN=CN;JTEFKQAORPXFSN-UHFFFAOYSA-N;139.16;0.1;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_Nd";;;;;;;0.87;;-1.88;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM437610;MM437610;C#CC(C)OC(CC)=NN;VBKJVJCIWDTFCM-UHFFFAOYSA-N;140.19;0.71;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_C5";;;;;;;0.81;;-0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM437611;MM437611;C=CC(=CCCCF)CC;PEAGGKMWMPDZRT-UHFFFAOYSA-N;142.22;3.26;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1_C4";;;;;;;4.24;;0.42;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM437612;MM437612;CC=CC1CC1C(O)CF;ZUHPKLUKTZPJHT-UHFFFAOYSA-N;144.19;1.53;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC3_P2";;;;;;;1.46;;-0.15;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM437613;MM437613;CCC1(CC)C(C)CC1N;MTMUJEXENQFSTQ-UHFFFAOYSA-N;141.26;2.16;;;;;DOPC;MDCG;27;1;"MARTINI bead: SC1_SNd";;;;;;;2.91;;-0.33;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM437614;MM437614;C=C(C=NOC=NN)OC;XEMUNMOKEYDXLC-UHFFFAOYSA-N;143.15;0.05;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_P2";;;;;;;0.54;;-1.09;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM437615;MM437615;COn1onc(NO)c1=O;DTJAPRQWLXWTSS-UHFFFAOYSA-N;147.09;-1.3;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP2_SP1";;;;;;;-1.06;;-3.82;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM437616;MM437616;C=CC(=NN)OC(C)CC;NPOJPAICLIKKIO-UHFFFAOYSA-N;142.2;1.26;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1_Nda";;;;;;;2.91;;0.57;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM437617;MM437617;CCCCC=C(C=O)CC;RKQKOUYEJBHOFR-UHFFFAOYSA-N;140.23;2.71;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1_Na";;;;;;;2.91;;0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM437618;MM437618;CC=CC1CC1C(F)CN;SXJYNUCHGGFXAX-UHFFFAOYSA-N;143.21;1.5;;;;;DOPC;MDCG;27;1;"MARTINI bead: SC3_P2";;;;;;;1.46;;-1.54;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM437619;MM437619;CC1CC(N)C1(CN)CN;PZVNCCJGTOEDOC-UHFFFAOYSA-N;143.23;-0.74;;;;;DOPC;MDCG;27;1;"MARTINI bead: SNd_SP1";;;;;;;0.04;;-4.93;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM437620;MM437620;C#CC=C1COC(=CC)C1;LQRKMRIJLSTQSK-UHFFFAOYSA-N;134.18;1.87;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC5_SN0";;;;;;;1.94;;0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM437621;MM437621;C=CC1CCC(=NO)C1=C;ITHKLSJGTIGMEF-UHFFFAOYSA-N;137.18;1.97;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNda_SC2";;;;;;;2.83;;0.57;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM437622;MM437622;C=CC(=NN)OC(C)OC;HBSOSQVWWRXBFK-UHFFFAOYSA-N;144.17;0.45;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_Nda";;;;;;;0.87;;-1.99;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM437623;MM437623;CC=CC1CC1C(F)CO;UKVVVAGDKXMSLI-UHFFFAOYSA-N;144.19;1.53;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC3_P2";;;;;;;1.46;;-0.15;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM437624;MM437624;CCCCC=C(C#N)CC;QVSAXOHUDZVZJK-UHFFFAOYSA-N;137.23;3.04;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1_C5";;;;;;;3.68;;0.46;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM437625;MM437625;CCC1(CC)C(C)NC1C;JDXGHBFVQIGFLG-UHFFFAOYSA-N;141.26;2.17;;;;;DOPC;MDCG;27;1;"MARTINI bead: SC5_SNd";;;;;;;1.64;;-3.05;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM437626;MM437626;C#CC=C1COC(=CF)C1;GALPCVGYIHRQEJ-UHFFFAOYSA-N;138.14;1.78;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNa_SN0";;;;;;;1.17;;-1.18;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM437627;MM437627;C=CC1CNC(=NN)C1=C;RWEGOGDPOGTUOC-UHFFFAOYSA-N;137.19;0.22;;;;;DOPC;MDCG;27;1;"MARTINI bead: SNd_SN0";;;;;;;1.17;;-2.64;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM437628;MM437628;C#CC(C)OC(C=C)=NN;WDPISZRMTZYMMZ-UHFFFAOYSA-N;138.17;0.48;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_P1";;;;;;;0.81;;-0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM437629;MM437629;CC=CC1CC1C(F)CF;XBGHCXQOEOOQCF-UHFFFAOYSA-N;146.18;2.51;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC3_Na";;;;;;;2.57;;0.45;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM437630;MM437630;CC1CC=CC1(C)O;ZTGZTJGEAGBAKU-UHFFFAOYSA-N;112.17;1.33;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC4_SNda";;;;;;;2.2;;0.49;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM437631;MM437631;CC1NC(C)C1(CN)CN;MJMUCHFLJAQENG-UHFFFAOYSA-N;143.23;-0.73;;;;;DOPC;MDCG;27;1;"MARTINI bead: SNd_SP3";;;;;;;-1.1;;-6.43;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM437632;MM437632;COC(=O)C=NOC=NN;DCVBUNKIIQFMRZ-UHFFFAOYSA-N;145.12;-0.94;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_P2";;;;;;;-0.24;;-3.24;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM437633;MM437633;N#Cc1nc(=N)onc1O;HXEKLDMIYYFABS-UHFFFAOYSA-N;138.09;-0.87;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP3_SP2";;;;;;;-2.2;;-9.62;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM437634;MM437634;CN=c1c(N)c(F)on1N;WMOMREVSMLNKMA-UHFFFAOYSA-N;146.13;-0.95;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNda_SP1";;;;;;;0.04;;-2.73;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM437635;MM437635;CC=CC1CC1C(C)OC;SEJATDQMHOBSRC-UHFFFAOYSA-N;140.23;2.23;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_SC3";;;;;;;2.57;;0.45;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM437636;MM437636;CCC(C#N)=CCCCF;HGYNSAGYUWJCSF-UHFFFAOYSA-N;141.19;2.6;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_C4";;;;;;;2.97;;0.45;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM437637;MM437637;C#CC=C1COC(=NO)C1;XABSCKMLOIRQQN-UHFFFAOYSA-N;137.14;0.75;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP1_SN0";;;;;;;0.34;;-1.53;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM437638;MM437638;CCC1(CN)C(C)OC1C;LPCZNRAAUWFXLN-UHFFFAOYSA-N;143.23;1.15;;;;;DOPC;MDCG;27;1;"MARTINI bead: SNd_SNa";;;;;;;0.87;;-4.23;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM437639;MM437639;N=c1oc(O)nn1N;KEIWNTOAWHGCGN-UHFFFAOYSA-N;116.08;-1.63;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP3_SP1";;;;;;;-1.93;;-9.08;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM437640;MM437640;C=C(CC)CC(=NN)OC;OUYNKSUMJHXJPW-UHFFFAOYSA-N;142.2;1.26;;;;;DOPC;MDCG;27;0;"MARTINI bead: C3_Nda";;;;;;;2.57;;0.44;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM437641;MM437641;COC(C)C1CC1C=NN;ATMXTQMRGBQKTF-UHFFFAOYSA-N;142.2;0.6;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_SNd";;;;;;;0.87;;-1.88;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM437642;MM437642;C=CC(=CCCCC)CN;YADCJJFTYOTWEG-UHFFFAOYSA-N;139.24;2.25;;;;;DOPC;MDCG;27;1;"MARTINI bead: C1_Nd";;;;;;;2.91;;-0.05;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM437643;MM437643;C#CC=C1CC(=CC)CO1;SZNVGISDVIUTSA-UHFFFAOYSA-N;134.18;1.87;;;;;DOPC;MDCG;27;0;"MARTINI bead: SN0_SNa";;;;;;;1.17;;-1.18;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM437644;MM437644;CCC1(CC)C(C)CN1C;ZOLVLYYSBTXOGC-UHFFFAOYSA-N;141.26;2.13;;;;;DOPC;MDCG;27;1;"MARTINI bead: SC5_SNd";;;;;;;1.64;;-2.64;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM437645;MM437645;O=c1o[nH]nc1C=CCF;BHLGKTAJIJGHLH-UHFFFAOYSA-N;144.11;0.35;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP1_SP2";;;;;;;-1.06;;-8.97;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM437646;MM437646;C=C(CF)CC(=NN)OC;RFEVDTIPYRGSKF-UHFFFAOYSA-N;146.17;0.82;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda_Na";;;;;;;0.87;;-1.99;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM437647;MM437647;CC=CC1NC1C(N)CO;PVNULPKLEOQQGI-UHFFFAOYSA-N;142.2;-0.78;;;;;DOPC;MDCG;27;1;"MARTINI bead: SNd_P3";;;;;;;-1.1;;-5.54;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM437648;MM437648;C=CC(=CCCCF)CN;HFZNGHYSZQOGDZ-UHFFFAOYSA-N;143.21;1.81;;;;;DOPC;MDCG;27;1;"MARTINI bead: P2_C1";;;;;;;1.8;;-1.09;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM437649;MM437649;C#CC=C1CC(=CF)CO1;WEFMTWOTKFITSK-UHFFFAOYSA-N;138.14;1.78;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNa_SNa";;;;;;;0.87;;-2.22;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM437650;MM437650;CCC1(CC)C(N)CN1C;UBUPMSUZVSIWDC-UHFFFAOYSA-N;142.25;0.82;;;;;DOPC;MDCG;27;1;"MARTINI bead: SC5_SP2";;;;;;;0.54;;-2.86;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM437651;MM437651;C=C1C(=CC)CCN1C=N;JJEIAMVHHURJLQ-UHFFFAOYSA-N;136.2;1.76;;;;;DOPC;MDCG;27;1;"MARTINI bead: SN0_SNd";;;;;;;1.17;;-4.04;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM437652;MM437652;C=C(CC(=NN)OC)OC;XSYKNKYDTXRCBX-UHFFFAOYSA-N;144.17;0.46;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_Nda";;;;;;;0.87;;-1.99;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM437653;MM437653;C=CC(=CCCCC)CO;GPKLMBWFOHDKLF-UHFFFAOYSA-N;140.23;2.28;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1_Nda";;;;;;;2.91;;0.57;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM437654;MM437654;CCC1(O)CC2CC2C1;QYKPRSYLXZZJKA-UHFFFAOYSA-N;126.2;1.56;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC5_SC4";;;;;;;2.97;;0.45;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM437655;MM437655;C#CC(=C)C=NOC=NN;IDIHRKKPFAGIPP-UHFFFAOYSA-N;137.14;0.08;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_C5";;;;;;;0.54;;-1.09;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM437656;MM437656;C=CC1(CC)C(C)CC1N;YUBGGTLCUPPSDL-UHFFFAOYSA-N;139.24;1.94;;;;;DOPC;MDCG;27;1;"MARTINI bead: SC1_SNd";;;;;;;2.91;;-0.29;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM437657;MM437657;C=C1C(=CC)CCN1C=O;BSWRGGARMAKBAW-UHFFFAOYSA-N;137.18;1.31;;;;;DOPC;MDCG;27;0;"MARTINI bead: SN0_SNda";;;;;;;1.17;;-1.13;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM437658;MM437658;Cc1on(O)c(=NO)c1N;OHFAZJRJUPGAIE-UHFFFAOYSA-N;145.12;-0.5;;;;;DOPC;MDCG;27;0;"MARTINI bead: SN0_SP2";;;;;;;0.06;;-2.21;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM437659;MM437659;CC=CC1NC1C(O)CN;OPMZYOYVRBXBNJ-UHFFFAOYSA-N;142.2;-0.78;;;;;DOPC;MDCG;27;1;"MARTINI bead: SNd_P3";;;;;;;-1.1;;-5.76;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM437660;MM437660;CC1=CCCC1(C)O;GGWCLFNUNRZDLL-UHFFFAOYSA-N;112.17;1.48;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC4_SNda";;;;;;;2.2;;0.49;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM437661;MM437661;C=CC1(CC)C(N)CC1N;IRUYECFASWULGY-UHFFFAOYSA-N;140.23;0.63;;;;;DOPC;MDCG;27;1;"MARTINI bead: SC1_SP2";;;;;;;1.8;;-1.3;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM437662;MM437662;C#CC=C1CC(=NO)CO1;BRWYVATUQYMJOP-UHFFFAOYSA-N;137.14;0.75;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP2_SNa";;;;;;;-0.24;;-3.24;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM437663;MM437663;C=C1C(=CF)CCN1C=O;KZGZGVQKJQHKNP-UHFFFAOYSA-N;141.15;1.22;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP1_SNda";;;;;;;0.04;;-2.73;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM437664;MM437664;CCC(=O)OC(CC)=NN;RNTQLTVVGILHBY-UHFFFAOYSA-N;144.17;0.62;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_Nd";;;;;;;0.87;;-1.88;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM437665;MM437665;C=NN1CCC(=O)C1C;RGFYZOQJKPLGAF-UHFFFAOYSA-N;126.16;0.27;;;;;DOPC;MDCG;27;0;"MARTINI bead: SN0_SP2";;;;;;;0.06;;-2.21;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM437666;MM437666;CCCCC=C(C=O)CO;ASLHIXNMUNTSSP-UHFFFAOYSA-N;142.2;1.29;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1_P2";;;;;;;1.8;;0.4;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM437667;MM437667;C=CC1(CC)C(C)NC1C;NRGTWBKBMCTSKA-UHFFFAOYSA-N;139.24;1.95;;;;;DOPC;MDCG;27;1;"MARTINI bead: SN0_SNd";;;;;;;1.17;;-3.96;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM437668;MM437668;C#CC=C1CCC(=NC)N1;UUKSHVINCVEODR-UHFFFAOYSA-N;134.18;0.92;;;;;DOPC;MDCG;27;1;"MARTINI bead: SNd_SN0";;;;;;;1.17;;-4.03;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM437669;MM437669;C=C1C(=CC)CNN1C=N;BNKHODJYLGZAKD-UHFFFAOYSA-N;137.19;0.87;;;;;DOPC;MDCG;27;1;"MARTINI bead: SP1_SP2";;;;;;;-1.06;;-5.81;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM437670;MM437670;C=CC(=C)CC(=NN)OC;BCWHPXUSXDSOBB-UHFFFAOYSA-N;140.19;1.04;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda_C4";;;;;;;2.2;;0.49;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM437671;MM437671;C#CC(=NC)NN=CC;ZLGXEIMNPJRCHJ-UHFFFAOYSA-N;123.16;0.24;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nd_N0";;;;;;;1.17;;-1.04;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM437672;MM437672;CCCCC=C(C#N)CO;HHCCKEVALBZNRC-UHFFFAOYSA-N;139.2;1.62;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1_P1";;;;;;;2.08;;0.48;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM437673;MM437673;CCC1(C=O)C(C)NC1C;BPDMRLRBMCARFO-UHFFFAOYSA-N;141.21;0.96;;;;;DOPC;MDCG;27;1;"MARTINI bead: SP1_SNd";;;;;;;0.04;;-5.04;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM437674;MM437674;NN=CON=CC(F)=CF;QBJFEHGGQAIELE-UHFFFAOYSA-N;149.1;0.67;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_C5";;;;;;;0.81;;-0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM437675;MM437675;C=C1C(=CC)CNN1C=O;UFUCMFXRSDOXOO-UHFFFAOYSA-N;138.17;0.42;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP1_SP2";;;;;;;-1.06;;-3.82;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM437676;MM437676;Nc1on(O)c(=NO)c1N;WGLAGEVWWTWTCC-UHFFFAOYSA-N;146.11;-1.23;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP1_SP2";;;;;;;-1.06;;-3.82;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM437677;MM437677;CC=CC1NC1C(C)OC;CJFCKKNQRCEDOA-UHFFFAOYSA-N;141.21;0.94;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_SNd";;;;;;;0.87;;-1.88;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM437678;MM437678;O=CC(=CCCCO)CO;AVVCKBCZNDKXSB-UHFFFAOYSA-N;144.17;-0.12;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda_P2";;;;;;;-0.24;;-3.31;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM437679;MM437679;C#CC1(CC)C(C)CC1N;LLCWJKDMJJJMPK-UHFFFAOYSA-N;137.23;1.38;;;;;DOPC;MDCG;27;1;"MARTINI bead: SC4_SNd";;;;;;;2.2;;-1.97;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM437680;MM437680;C#CC=C1CNC(=NC)N1;PHZJKCJLLXUUME-UHFFFAOYSA-N;135.17;-0.32;;;;;DOPC;MDCG;27;1;"MARTINI bead: SP1_SP2";;;;;;;-1.06;;-7.12;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM437681;MM437681;C=Cn1onc(NN)c1=N;HXUZGBHXKBFEET-UHFFFAOYSA-N;141.13;-0.66;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP1_SP2";;;;;;;-1.06;;-3.82;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM437682;MM437682;C=CC(=C)OC(CC)=NN;DFWHJFKWFQWFPS-UHFFFAOYSA-N;140.19;1.38;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_C4";;;;;;;1.37;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM437683;MM437683;CC=CC1OC1C(C)CC;LSRASYFFPVHKMQ-UHFFFAOYSA-N;140.23;2.38;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1_SNa";;;;;;;2.91;;0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM437684;MM437684;C#CC1(CN)C(C)CN1C;ZYZXQKBSNAUZGL-UHFFFAOYSA-N;138.21;-0.1;;;;;DOPC;MDCG;27;1;"MARTINI bead: SNd_SP2";;;;;;;-0.24;;-4.81;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM437685;MM437685;N#CC(=CCCCO)CO;FOLNACOQQYSYKV-UHFFFAOYSA-N;141.17;0.2;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda_P2";;;;;;;-0.24;;-3.31;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM437686;MM437686;C#CC=C1CNC(=NN)N1;MSNNXGRZJKKWPU-UHFFFAOYSA-N;136.16;-1.07;;;;;DOPC;MDCG;27;1;"MARTINI bead: SP2_SP2";;;;;;;-1.34;;-6.13;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM437687;MM437687;CCC(CC)C1NC1C=O;JUPYCJKWUNIVBS-UHFFFAOYSA-N;141.21;0.96;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1_SP2";;;;;;;1.8;;0.42;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM437688;MM437688;C#CC(=C)CC(=NN)OC;OMDWAJZPPGWSGD-UHFFFAOYSA-N;138.17;0.48;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_P1";;;;;;;0.81;;-0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM437689;MM437689;CC=CC1OC1C(O)CC;FIGCHXRHOCUZBO-UHFFFAOYSA-N;142.2;1.1;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda_SNa";;;;;;;0.87;;-1.99;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM437690;MM437690;N#CC(=CCCCF)CO;SFAGMRWMDIKGQK-UHFFFAOYSA-N;143.16;1.18;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_C4";;;;;;;1.37;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM437691;MM437691;C=CC1(C=C)C(C)OC1C;BOHFTASFHJGYLX-UHFFFAOYSA-N;138.21;2.15;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNa_SC5";;;;;;;1.64;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM437692;MM437692;C#CC(F)C(=NN)OC=C;NTWKELKZMPZTTG-UHFFFAOYSA-N;142.13;0.39;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda_Na";;;;;;;0.87;;-1.99;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM437693;MM437693;CNc1non(C=N)c1=N;APYVVQAGIRHCOK-UHFFFAOYSA-N;141.13;-0.55;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNda_SP3";;;;;;;-1.1;;-3.97;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM437694;MM437694;CC=C(C)CC(=NN)OC;ATHWNTVVAZBPJC-UHFFFAOYSA-N;142.2;1.26;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1_P1";;;;;;;2.08;;0.48;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM437695;MM437695;CC=CC1OC1C(F)CC;BXUVBYOHCJZWGU-UHFFFAOYSA-N;144.19;2.08;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4_SNa";;;;;;;2.2;;0.34;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM437696;MM437696;C=CC(=CCCCC)CF;CQCRJHBRXKPBHI-UHFFFAOYSA-N;142.22;3.26;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1_C4";;;;;;;4.24;;0.42;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM437697;MM437697;CCC1(CC)C(=O)CC1C;KMPBISPWKHMVQN-UHFFFAOYSA-N;140.23;2.4;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC1_SNa";;;;;;;2.91;;0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM437698;MM437698;C=COC(=NN)C(F)=CC;SIOVTNCLESHASU-UHFFFAOYSA-N;144.15;1.29;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4_Nda";;;;;;;2.2;;0.49;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM437699;MM437699;CC=NN=CNC=CCF;ZPFRMDTXAVYYIN-UHFFFAOYSA-N;143.17;1.09;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_Nda";;;;;;;1.64;;0.05;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM437700;MM437700;Cn1oc(N)c(O)c1=NO;ASTRDVRWXJWBQR-UHFFFAOYSA-N;145.12;-0.8;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP2_SP1";;;;;;;-1.06;;-3.82;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM437701;MM437701;C=CC(=CCCCN)CF;JNBCWGXOSGTPKP-UHFFFAOYSA-N;143.21;1.81;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_C4";;;;;;;2.2;;-2.21;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM437702;MM437702;CCC1(NC)C(=O)CC1C;UDRRAOONTXPGSQ-UHFFFAOYSA-N;141.21;0.96;;;;;DOPC;MDCG;27;1;"MARTINI bead: SC5_SNa";;;;;;;1.64;;-1.32;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM437703;MM437703;CC=CC1OC1C(C)OC;CVKXDQLRNFPBFW-UHFFFAOYSA-N;142.2;1.36;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_SNa";;;;;;;0.87;;-2.22;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM437704;MM437704;C#CC=C1COC(=NO)N1;KAEIVORGDWCISO-UHFFFAOYSA-N;138.13;-0.13;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP2_SP1";;;;;;;-1.06;;-3.82;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM437705;MM437705;Nc1c[nH]cc1N;GHDLYENBJFTLCV-UHFFFAOYSA-N;97.12;0.18;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP1_SP1";;;;;;;-0.79;;-3.13;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM437706;MM437706;C#CCC1=NC(=CO)N=N1;ADLPOUBQGZIPPI-UHFFFAOYSA-N;135.13;1.23;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNda_SN0";;;;;;;1.17;;-6.47;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM437707;MM437707;CCC1(O)C=CCC1;BIECEEUAQKOZEW-UHFFFAOYSA-N;112.17;1.48;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC5_SC5";;;;;;;2.41;;0.64;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM437708;MM437708;CCC1(CC)C(=O)NC1C;GZGAGTRZNFUQBS-UHFFFAOYSA-N;141.21;1.31;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC5_SP1";;;;;;;0.81;;-0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM437709;MM437709;CN=CN1CC1C(C)CN;RYODBGRDPCAIKS-UHFFFAOYSA-N;141.22;-0.08;;;;;DOPC;MDCG;27;1;"MARTINI bead: SP1_Nd";;;;;;;0.04;;-5.2;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM437710;MM437710;C=CCOC(=NN=C)NC;REHIGOLJOUTEMA-UHFFFAOYSA-N;141.17;0.38;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_C4";;;;;;;1.37;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM437711;MM437711;CNc1non(C=O)c1=N;PPTPOFPVZMXPSC-UHFFFAOYSA-N;142.12;-0.96;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNda_SP3";;;;;;;-1.1;;-3.97;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM437712;MM437712;O=CC(C#CC(=O)O)=NO;FZPPNSZPMYSCRV-UHFFFAOYSA-N;141.08;-0.9;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_P1";;;;;;;-0.79;;-8.43;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM437713;MM437713;CCC1(CN)C(=O)NC1C;YGYFLNLOHYFZDO-UHFFFAOYSA-N;142.2;-0.14;;;;;DOPC;MDCG;27;1;"MARTINI bead: SP1_SP1";;;;;;;-0.79;;-4.85;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM437714;MM437714;CN=CN1CC1C(C)CO;UQWRSTXCAUXMBV-UHFFFAOYSA-N;142.2;-0.04;;;;;DOPC;MDCG;27;1;"MARTINI bead: SP1_Nda";;;;;;;0.04;;-5.17;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM437715;MM437715;CCCCC=C(C=O)CF;ZUTGHAXQMYTBHS-UHFFFAOYSA-N;144.19;2.27;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1_Na";;;;;;;2.91;;0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM437716;MM437716;C#CC=C1NC(=NO)CO1;NYSZLZIUNWTGNS-UHFFFAOYSA-N;138.13;-0.13;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP2_SNda";;;;;;;-0.24;;-3.31;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM437717;MM437717;O=c1o[nH]n(O)c1=NO;IROMBDDZOAWQGJ-UHFFFAOYSA-N;133.06;-1.7;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP2_SP2";;;;;;;-1.34;;-9.35;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM437718;MM437718;NN=CCC(F)(F)F;NBTAXOVPMLQORR-UHFFFAOYSA-N;126.08;0.88;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nd_N0";;;;;;;1.17;;-1.04;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM437719;MM437719;CN=CN1CC1C(C)CF;GTMDRJPDJMXASE-UHFFFAOYSA-N;144.19;0.93;;;;;DOPC;MDCG;27;1;"MARTINI bead: SP1_C4";;;;;;;1.37;;-2.38;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM437720;MM437720;CCC1(NC)C(=O)NC1C;AQCJHNQYXGMSJF-UHFFFAOYSA-N;142.2;-0.13;;;;;DOPC;MDCG;27;1;"MARTINI bead: SP1_SP1";;;;;;;-0.79;;-4.2;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM437721;MM437721;C#CC(=O)CN1CC1;VCDNQSCWEINPCK-UHFFFAOYSA-N;109.13;-0.5;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_SP1";;;;;;;-0.79;;-3.13;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM437722;MM437722;C#CC=C1CCC(=CC)O1;USHVQNLCQWZOPJ-UHFFFAOYSA-N;134.18;2.22;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC5_SN0";;;;;;;1.94;;0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM437723;MM437723;NN=c1nn[nH]c(=NN)o1;RYQUUTLJXVNGGJ-UHFFFAOYSA-N;143.11;-3.05;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP3_SP3";;;;;;;-3.07;;-10.26;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM437724;MM437724;N=c1c(NO)non1C=O;OKRQVEZGXOQGPU-UHFFFAOYSA-N;144.09;-1.21;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP1_SP3";;;;;;;-1.93;;-4.72;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM437725;MM437725;C=CC1(CC)C(=O)CC1C;HEITUXUPRTXVLI-UHFFFAOYSA-N;138.21;2.18;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC1_SNa";;;;;;;2.91;;0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM437726;MM437726;C=CC(=CCCNC)CC;PIGZEQSNEHIRCL-UHFFFAOYSA-N;139.24;2.12;;;;;DOPC;MDCG;27;1;"MARTINI bead: C1_Nd";;;;;;;2.91;;-0.8;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM437727;MM437727;CCC(N)C1CN1C=NC;MPSSLODXKVECLI-UHFFFAOYSA-N;141.22;0.07;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_SP1";;;;;;;0.04;;-4.82;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM437728;MM437728;C#CC=C1CCC(=CF)O1;WOLQREFSIMKLTO-UHFFFAOYSA-N;138.14;2.12;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNa_SN0";;;;;;;1.17;;-1.18;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM437729;MM437729;CC=C(F)CC(=NN)OC;IMELSCQPGBSKJB-UHFFFAOYSA-N;146.17;1.17;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_C3";;;;;;;1.74;;0.29;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM437730;MM437730;CCC(O)C1CN1C=NC;PFNCOWKTNACYTG-UHFFFAOYSA-N;142.2;0.1;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nda_SP1";;;;;;;0.04;;-4.61;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM437731;MM437731;Cn1c(N)c(F)c(N)c1F;PCKXZLYGLFFDPQ-UHFFFAOYSA-N;147.13;0.47;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNda_SNa";;;;;;;0.87;;-1.99;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM437732;MM437732;C=Cn1onc(NC)c1=O;RYDXYKUYRPUWGQ-UHFFFAOYSA-N;141.13;-0.02;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNda_SP2";;;;;;;-0.24;;-3.31;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM437733;MM437733;CCC(C=O)=CCCNC;CUEWWAGXWHBAFY-UHFFFAOYSA-N;141.21;1.13;;;;;DOPC;MDCG;27;1;"MARTINI bead: Na_Nd";;;;;;;0.87;;-4.84;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM437734;MM437734;CC=NN=C(NC)OCC;PKFKORDGMSZHJH-UHFFFAOYSA-N;143.19;0.6;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_C4";;;;;;;1.09;;-0.38;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM437735;MM437735;N#CC(CC(=O)O)=C(N)N;IDGPZALNBMWZTP-UHFFFAOYSA-N;141.13;-0.89;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_P1";;;;;;;-0.79;;-8.43;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM437736;MM437736;NN1C(=O)CCC1=O;FLTYUHLOJTZHAP-UHFFFAOYSA-N;114.1;-0.99;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP2_SP2";;;;;;;-1.34;;-4.31;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM437737;MM437737;CN=CN1CC1C(C)NC;DMGGCBLWLIXEES-UHFFFAOYSA-N;141.22;-0.06;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_SP1";;;;;;;0.04;;-4.89;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM437738;MM437738;C=CC(=CCCNC)CO;JZPDWAYXFNZZOA-UHFFFAOYSA-N;141.21;0.7;;;;;DOPC;MDCG;27;1;"MARTINI bead: C4_P3";;;;;;;0.23;;-4.02;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM437739;MM437739;C=CC1(CC)C(=O)NC1C;ORUXQNOYXRFCAG-UHFFFAOYSA-N;139.2;1.09;;;;;DOPC;MDCG;27;0;"MARTINI bead: SN0_SP1";;;;;;;0.34;;-1.53;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM437740;MM437740;C#CC=C1CCC(=NO)O1;DWFYRMKHGBRUGA-UHFFFAOYSA-N;137.14;1.1;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP1_SN0";;;;;;;0.34;;-1.53;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM437741;MM437741;Nn1c(O)nc(O)nc1=O;QXKHSTPGZNCWGC-UHFFFAOYSA-N;144.09;-2.24;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP4_SP1";;;;;;;-2.01;;-9.08;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM437742;MM437742;CNc1non(C=N)c1=O;UGTVLDNTPDOACS-UHFFFAOYSA-N;142.12;-0.67;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNda_SP3";;;;;;;-1.1;;-3.97;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM437743;MM437743;CCC1(C#N)C(=O)NC1C;XZLTZAKUDOULKG-UHFFFAOYSA-N;138.17;0.42;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP1_SP1";;;;;;;-0.79;;-3.13;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM437744;MM437744;CNCCC=C(C=O)CO;HBBXMLIQGSLFBA-UHFFFAOYSA-N;143.19;-0.29;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_P2";;;;;;;-0.24;;-6.1;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM437745;MM437745;CNC(C)C1CN1C=NN;JQIPAZKTJLQBQT-UHFFFAOYSA-N;142.21;-0.82;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_SP2";;;;;;;-0.24;;-4.69;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM437746;MM437746;CCCC1C=CC(CC)C1;OWTKUQYIYYQRQG-UHFFFAOYSA-N;138.25;3.39;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC1_SC2";;;;;;;4.87;;0.53;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM437747;MM437747;NN=c1c(O)c(N)on1O;JJVZYFPZLKWGJW-UHFFFAOYSA-N;146.11;-1.62;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP2_SP1";;;;;;;-1.06;;-3.82;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM437748;MM437748;Cc1[nH]cc(N)c1N;UMYUSHKTOVGPSK-UHFFFAOYSA-N;111.15;0.49;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNd_SP1";;;;;;;0.04;;-2.63;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM437749;MM437749;C=CC1(CN)C(=O)NC1C;CYFBGWYATUJKKP-UHFFFAOYSA-N;140.19;-0.36;;;;;DOPC;MDCG;27;1;"MARTINI bead: SP1_SP2";;;;;;;-1.06;;-5.49;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM437750;MM437750;C=CC(=CCCOC)CC;VZXVTQVEZXAOIY-UHFFFAOYSA-N;140.23;2.55;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1_Na";;;;;;;2.91;;0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM437751;MM437751;CN=CN1CC1C(C)OC;GVNUGAAEPHVXKO-UHFFFAOYSA-N;142.2;0.36;;;;;DOPC;MDCG;27;1;"MARTINI bead: Na_SP1";;;;;;;0.04;;-4.42;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM437752;MM437752;CCC1C=CC(CCN)C1;QCEHIXWJHJHSRV-UHFFFAOYSA-N;139.24;1.94;;;;;DOPC;MDCG;27;1;"MARTINI bead: SC2_SC5";;;;;;;3.6;;0.55;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM437753;MM437753;O=C(O)C(=O)C1CN1;KHNOBSWUNPTXJR-UHFFFAOYSA-N;115.09;-1.39;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_SP2";;;;;;;-1.34;;-9.35;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM437754;MM437754;CCC1(C#N)C(=O)OC1C;DNORQKGQAKJBJD-UHFFFAOYSA-N;139.15;0.85;;;;;DOPC;MDCG;27;0;"MARTINI bead: SN0_SNa";;;;;;;1.17;;-1.18;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM437755;MM437755;N=Cn1onc(NO)c1=O;KNFMRHAKIMVXET-UHFFFAOYSA-N;144.09;-0.91;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP1_SP3";;;;;;;-1.93;;-4.72;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM437756;MM437756;CCC(C=O)=CCCOC;BACYOZCKQPXOTJ-UHFFFAOYSA-N;142.2;1.56;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_Na";;;;;;;0.87;;-2.22;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM437757;MM437757;CC=NN1CC1C(C)CC;PAJDSRDUCNZDDV-UHFFFAOYSA-N;140.23;1.72;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1_SP1";;;;;;;2.08;;0.48;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM437758;MM437758;CCCC1C=CC(CN)C1;YNSDORWQSDWYFT-UHFFFAOYSA-N;139.24;1.94;;;;;DOPC;MDCG;27;1;"MARTINI bead: SC1_SNd";;;;;;;2.91;;-0.53;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM437759;MM437759;NC=NOC(=NO)C(=O)O;APMKVRKQSKJABY-UHFFFAOYSA-N;147.09;-1.22;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_P1";;;;;;;-1.06;;-8.83;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM437760;MM437760;CNC1(C#N)C(=O)OC1C;XJAGTSUODCUZFO-UHFFFAOYSA-N;140.14;-0.59;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP2_SNa";;;;;;;-0.24;;-3.24;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM437761;MM437761;CC=NN1CC1C(C)CN;QHJPUZUDRORHBH-UHFFFAOYSA-N;141.22;0.27;;;;;DOPC;MDCG;27;1;"MARTINI bead: SP1_Nd";;;;;;;0.04;;-5.1;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM437762;MM437762;CCC(C#N)=CCCOC;XAKNMRWRVKCRQK-UHFFFAOYSA-N;139.2;1.88;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_Na";;;;;;;1.64;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM437763;MM437763;CNc1non(C=O)c1=O;COYRWSHEWUESTI-UHFFFAOYSA-N;143.1;-1.08;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNda_SP2";;;;;;;-0.24;;-3.31;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM437764;MM437764;NCCC1C=CC(CN)C1;HMOAJBPHTGBCAW-UHFFFAOYSA-N;140.23;0.49;;;;;DOPC;MDCG;27;1;"MARTINI bead: SC5_SNd";;;;;;;1.64;;-2.97;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM437765;MM437765;N=c1oc(=O)on1C(=O)O;SEZXRMWPTSKSBH-UHFFFAOYSA-N;146.06;-0.96;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_SP2";;;;;;;-1.06;;-8.83;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM437766;MM437766;Cc1nnc(N)c(=N)n1N;CZSADUVSBNEJTI-UHFFFAOYSA-N;140.15;-1.64;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP2_SP2";;;;;;;-1.34;;-4.31;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM437767;MM437767;NN=C1COC(=CF)C1;JBJVMZSPEVAJET-UHFFFAOYSA-N;130.12;0.53;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP1_SNa";;;;;;;0.04;;-2.54;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM437768;MM437768;C=CC(=CCCOC)CO;RRCBAPKDGIPQDI-UHFFFAOYSA-N;142.2;1.13;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_Nda";;;;;;;0.87;;-1.99;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM437769;MM437769;C#CCC(C)C(C)(C)O;PLJPFUXFOGXHCV-UHFFFAOYSA-N;126.2;1.42;;;;;DOPC;MDCG;27;0;"MARTINI bead: C3_Nda";;;;;;;2.57;;0.44;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM437770;MM437770;NCCC1C=CC(CO)C1;BQTLREFRSKJLTE-UHFFFAOYSA-N;141.21;0.52;;;;;DOPC;MDCG;27;1;"MARTINI bead: SC5_SNda";;;;;;;1.64;;-2.66;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM437771;MM437771;CONC(=O)C(=O)C(=O)O;NJAKFDLSCPNQOZ-UHFFFAOYSA-N;147.09;-1.68;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_P2";;;;;;;-1.34;;-9.36;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM437772;MM437772;C#CC1(CC)C(=O)NC1C;SCZDSDQRFYJJOO-UHFFFAOYSA-N;137.18;0.53;;;;;DOPC;MDCG;27;0;"MARTINI bead: SN0_SP1";;;;;;;0.34;;-1.53;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM437773;MM437773;C=CC(=CCCOC)CF;UBERXWIFPWXQIQ-UHFFFAOYSA-N;144.19;2.1;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_C4";;;;;;;2.2;;0.34;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM437774;MM437774;CCCC1C=CC(CF)C1;WKZTVNSTUXRUJM-UHFFFAOYSA-N;142.22;2.95;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC1_SC5";;;;;;;3.68;;0.46;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM437775;MM437775;O=Cn1onc(NO)c1=O;BCXXVZVFWXONQK-UHFFFAOYSA-N;145.07;-1.32;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP1_SP2";;;;;;;-1.06;;-3.82;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM437776;MM437776;CC=NN1CC1C(C)CF;DVODFGNOKBAZEU-UHFFFAOYSA-N;144.19;1.28;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP1_C4";;;;;;;1.37;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM437777;MM437777;CN=c1c(F)c(C)on1C;LVAZTGUQTGTBBJ-UHFFFAOYSA-N;144.15;0.6;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNa_SN0";;;;;;;1.17;;-1.18;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM437778;MM437778;C#CC1(CN)C(=O)NC1C;BZTBWUCUVYMSPC-UHFFFAOYSA-N;138.17;-0.92;;;;;DOPC;MDCG;27;1;"MARTINI bead: SP1_SP2";;;;;;;-1.06;;-5.17;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM437779;MM437779;COCCC=C(C#N)CF;OLVCQHZRAMLSTN-UHFFFAOYSA-N;143.16;1.44;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_Na";;;;;;;0.87;;-2.22;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM437780;MM437780;NCCC1C=CC(CF)C1;WLYRKNQUZUOEAG-UHFFFAOYSA-N;143.21;1.5;;;;;DOPC;MDCG;27;1;"MARTINI bead: SC5_SC5";;;;;;;2.41;;-0.47;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM437781;MM437781;C=Nn1onc(NC)c1=N;OKFYGMFOEGXLDQ-UHFFFAOYSA-N;141.13;-0.54;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNda_SP3";;;;;;;-1.1;;-3.97;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM437782;MM437782;C#CC1CN=C(C#N)N1;UQAWVSVEQFIMGW-UHFFFAOYSA-N;119.13;-0.49;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP1_SP1";;;;;;;-0.79;;-3.13;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM437783;MM437783;CC=C(CC)OC(C)=NN;VIYFWBSZXVAWFP-UHFFFAOYSA-N;142.2;1.61;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1_P2";;;;;;;1.8;;0.4;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM437784;MM437784;C=CC(=CCNCC)CC;VJLVVHCJUXUNLR-UHFFFAOYSA-N;139.24;2.12;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_C1";;;;;;;2.91;;-0.23;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM437785;MM437785;CCC1C=CC(CNC)C1;LGFIRVIGUFZLEP-UHFFFAOYSA-N;139.24;1.81;;;;;DOPC;MDCG;27;1;"MARTINI bead: SC2_SNd";;;;;;;2.83;;-1.1;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM437786;MM437786;C#CC1(CC)C(=O)OC1C;NVPCUYLXTYLWPX-UHFFFAOYSA-N;138.17;0.96;;;;;DOPC;MDCG;27;0;"MARTINI bead: SN0_SNa";;;;;;;1.17;;-1.18;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM437787;MM437787;CC=CC(C)C(C)(C)O;QJXSEHHMKHHOJS-UHFFFAOYSA-N;128.22;1.97;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1_Nda";;;;;;;2.91;;0.57;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM437788;MM437788;CC=NN1CC1C(F)CN;HCXAIOLSZFMEDT-UHFFFAOYSA-N;145.18;-0.03;;;;;DOPC;MDCG;27;1;"MARTINI bead: SP1_P2";;;;;;;-1.06;;-4.98;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM437789;MM437789;CCC(=CF)OC(C)=NN;BZFJGEGGXOXSEE-UHFFFAOYSA-N;146.17;1.52;;;;;DOPC;MDCG;27;0;"MARTINI bead: C3_P2";;;;;;;1.46;;-0.15;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM437790;MM437790;CCNCC=C(C=O)CC;WMKPRNZHYIZWGH-UHFFFAOYSA-N;141.21;1.13;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_Na";;;;;;;0.87;;-4;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM437791;MM437791;CCCC1C=CC(NC)C1;OFLKHBSRMDRREU-UHFFFAOYSA-N;139.24;1.95;;;;;DOPC;MDCG;27;1;"MARTINI bead: SC1_SNd";;;;;;;2.91;;-0.22;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM437792;MM437792;C=CC1(C#N)C(=O)CC1C;DVIROFKOLIHHRI-UHFFFAOYSA-N;135.17;1.29;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNa_SC5";;;;;;;1.64;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM437793;MM437793;C#CCCC(C)(O)CC;NAEDWSQWCXHMDY-UHFFFAOYSA-N;126.2;1.56;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda_C5";;;;;;;1.64;;0.05;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM437794;MM437794;CC=NN1CC1C(C)NC;UALQHKNYOPMDPT-UHFFFAOYSA-N;141.22;0.28;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_SP1";;;;;;;0.04;;-4.37;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM437795;MM437795;CC=C(C)OC(CC)=NN;SEZNKXOHFFSMSE-UHFFFAOYSA-N;142.2;1.61;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_C2";;;;;;;2;;0.29;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM437796;MM437796;CCNC1C=CC(CN)C1;LITJBOFJGUHTHU-UHFFFAOYSA-N;140.23;0.5;;;;;DOPC;MDCG;27;1;"MARTINI bead: SC5_SNd";;;;;;;1.64;;-2.84;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM437797;MM437797;CCNCC=C(C#N)CC;UZRBNMPHVFJHQX-UHFFFAOYSA-N;138.21;1.46;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_C5";;;;;;;1.64;;-1.32;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM437798;MM437798;C=CC1(C#N)C(=O)NC1C;XCFNROAUEGLOCO-UHFFFAOYSA-N;136.15;0.2;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP1_SP1";;;;;;;-0.79;;-3.13;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM437799;MM437799;CC=CCC(C)(O)CC;AFXJYNGLHOQJJS-UHFFFAOYSA-N;128.22;2.11;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda_C2";;;;;;;2.83;;0.57;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM437800;MM437800;CC=NN1CC1C(C)OC;ZGIDWTDVTCGKND-UHFFFAOYSA-N;142.2;0.71;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_SP1";;;;;;;0.04;;-2.54;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM437801;MM437801;CCNC1C=CC(CF)C1;YKMLKEAWKITGCN-UHFFFAOYSA-N;143.21;1.51;;;;;DOPC;MDCG;27;1;"MARTINI bead: SC5_SC5";;;;;;;2.41;;-0.21;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM437802;MM437802;Nc1nn(C(=O)O)oc1=O;FRIQCEWLZRALAZ-UHFFFAOYSA-N;145.07;-1.06;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP2_SP4";;;;;;;-2.29;;-9.63;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM437803;MM437803;CC1NC(=O)C1(C#N)C#N;PODKJRAMAPMTTL-UHFFFAOYSA-N;135.13;-0.46;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP1_SP2";;;;;;;-1.06;;-3.82;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM437804;MM437804;C=CC(=CCNCC)CO;SPUUDQIRSGUMEE-UHFFFAOYSA-N;141.21;0.7;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_Nda";;;;;;;0.87;;-4.03;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM437805;MM437805;C=CC1=CC(=NN)CC1;XTCBSFGLFKIOBO-UHFFFAOYSA-N;122.17;1.21;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNd_SC3";;;;;;;2.57;;0.53;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM437806;MM437806;CNN=CC1C(F)C1F;APBQEVSQHZRXTN-UHFFFAOYSA-N;134.13;0.5;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nd_SNa";;;;;;;0.87;;-1.88;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM437807;MM437807;CC(O)(CC#N)C(=O)O;VNMIMBNRFOEUEL-UHFFFAOYSA-N;129.12;-0.26;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_P2";;;;;;;-1.06;;-8.83;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM437808;MM437808;CCNC1C=CC(OC)C1;LFAPUUGTLVUQGZ-UHFFFAOYSA-N;141.21;0.94;;;;;DOPC;MDCG;27;1;"MARTINI bead: SC5_SNa";;;;;;;1.64;;-2.2;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM437809;MM437809;C=CC1(C#N)C(=O)OC1C;ZDVPXVMERMYSSW-UHFFFAOYSA-N;137.14;0.63;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNa_SN0";;;;;;;1.17;;-1.18;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM437810;MM437810;C=Nn1onc(NO)c1=O;MCPPSBPAKJFBSA-UHFFFAOYSA-N;144.09;-0.9;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP1_SP2";;;;;;;-1.06;;-3.82;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM437811;MM437811;CCNCC=C(C#N)CO;NNCHPYOHZMALPS-UHFFFAOYSA-N;140.19;0.04;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_P1";;;;;;;0.04;;-3.73;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM437812;MM437812;CC=CC1CN1C(C)CF;RNHIORDPXCWPBE-UHFFFAOYSA-N;143.21;1.6;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNd_C4";;;;;;;2.2;;0.32;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM437813;MM437813;CN(O)C(=NC=O)C(=O)O;MPKGJBSFJUSGAY-UHFFFAOYSA-N;146.1;-1.05;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_P1";;;;;;;-0.79;;-8.44;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM437814;MM437814;CCCC1C=CC(CC)N1;RRBOBLUCQJUQII-UHFFFAOYSA-N;139.24;2.09;;;;;DOPC;MDCG;27;1;"MARTINI bead: SC5_SNd";;;;;;;1.64;;-3.53;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM437815;MM437815;CC1OC(=O)C1(C#N)C#N;UANPAACNNUYCAX-UHFFFAOYSA-N;136.11;-0.03;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNa_SP1";;;;;;;0.04;;-2.54;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM437816;MM437816;C=CC(=CCNCC)CF;RMRPSGJHMLHZNC-UHFFFAOYSA-N;143.21;1.68;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_C4";;;;;;;2.2;;-1.84;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM437817;MM437817;C#CC1CNC(=NC)C1=C;NUAQAJXTCMLJRP-UHFFFAOYSA-N;134.18;0.42;;;;;DOPC;MDCG;27;1;"MARTINI bead: SNd_SP1";;;;;;;0.04;;-6.13;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM437818;MM437818;CC=CC1CC1C(C)C#N;RCBJWTQBXRMORK-UHFFFAOYSA-N;135.21;2.36;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC3_P1";;;;;;;1.74;;0.29;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM437819;MM437819;CN=c1c(F)c(F)on1C;ABFWJRDCJNQJQS-UHFFFAOYSA-N;148.11;0.43;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNa_SP1";;;;;;;0.04;;-2.54;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM437820;MM437820;C#CC1(C=C)C(=O)CC1C;QGXBOSCOAKSYSW-UHFFFAOYSA-N;134.18;1.4;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNa_SC5";;;;;;;1.64;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM437821;MM437821;C=CC(=CCOCC)CC;XCDKWTQEKHRDQT-UHFFFAOYSA-N;140.23;2.55;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_C1";;;;;;;2.91;;0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM437822;MM437822;CCC1C=CC(CCN)N1;KYFRYQOGFYYRAI-UHFFFAOYSA-N;140.23;0.64;;;;;DOPC;MDCG;27;1;"MARTINI bead: SN0_SP1";;;;;;;0.34;;-4.86;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM437823;MM437823;OC=C1N=NC(CF)=N1;HYHXKCFTVCTYRT-UHFFFAOYSA-N;129.09;1.18;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNda_SNa";;;;;;;0.87;;-7.74;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM437824;MM437824;C=CC(N)C1CC1C=CC;PBCGMDAPUKRYEA-UHFFFAOYSA-N;137.23;1.71;;;;;DOPC;MDCG;27;1;"MARTINI bead: SC3_P1";;;;;;;1.74;;-1.83;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM437825;MM437825;CCC(=NN)OC(C)=CF;AJBYLCOVUOHQCY-UHFFFAOYSA-N;146.17;1.52;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nd_Na";;;;;;;0.87;;-1.88;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM437826;MM437826;CCCC1C=CC(CN)N1;OJSABXJPCHXJRB-UHFFFAOYSA-N;140.23;0.64;;;;;DOPC;MDCG;27;1;"MARTINI bead: SC5_SP2";;;;;;;0.54;;-4.16;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM437827;MM437827;C#CC1(C=C)C(=O)NC1C;VGGGLVVJYZCZIN-UHFFFAOYSA-N;135.17;0.31;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP1_SP1";;;;;;;-0.79;;-3.13;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM437828;MM437828;CCOCC=C(C#N)CC;OUMJCJBWOBZWFE-UHFFFAOYSA-N;139.2;1.88;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_C5";;;;;;;1.64;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM437829;MM437829;N#CCC(=NO)C(=O)O;KDOCORYQOZCTRJ-UHFFFAOYSA-N;128.09;-0.19;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_P1";;;;;;;-0.79;;-8.7;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM437830;MM437830;CC#CCNN=CCF;QCMYMDYEVJYKQG-UHFFFAOYSA-N;128.15;0.55;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4_P1";;;;;;;1.37;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM437831;MM437831;CN=c1c(F)c(C)on1N;INGKDVLXACMBTL-UHFFFAOYSA-N;145.14;-0.23;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP1_SN0";;;;;;;0.34;;-1.53;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM437832;MM437832;CCCC1C=CC(CO)N1;NSBZHYUSZSGPBG-UHFFFAOYSA-N;141.21;0.68;;;;;DOPC;MDCG;27;1;"MARTINI bead: SC5_SP1";;;;;;;0.81;;-3.4;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM437833;MM437833;C#CC1(C=O)C(=O)NC1C;QYNNKSHQUZJKLN-UHFFFAOYSA-N;137.14;-0.68;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP1_SP2";;;;;;;-1.06;;-3.82;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM437834;MM437834;C=CC(=CCOCC)CN;YOYUDTSGBURWOH-UHFFFAOYSA-N;141.21;1.09;;;;;DOPC;MDCG;27;1;"MARTINI bead: Na_Nd";;;;;;;0.87;;-4.08;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM437835;MM437835;CC=C1CCC(=CC)C1C;AFRHICMFBWWXKO-UHFFFAOYSA-N;136.24;3.31;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC1_SC1";;;;;;;4.95;;0.69;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM437836;MM437836;CC=CC1CC1C(O)C=O;IWXQUXSEPNYRIK-UHFFFAOYSA-N;140.18;0.76;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC3_P2";;;;;;;1.46;;-0.15;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM437837;MM437837;CN=C(NN)OC(C)=NN;FJCDYCXXOZBOSI-UHFFFAOYSA-N;145.17;-1.26;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_Nd";;;;;;;-0.24;;-3.16;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM437838;MM437838;CCCC1C=CC(CF)N1;NWNLWGCSRLGYDZ-UHFFFAOYSA-N;143.21;1.65;;;;;DOPC;MDCG;27;1;"MARTINI bead: SC5_SNa";;;;;;;1.64;;-1.91;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM437839;MM437839;C=CC(=CCOCC)CO;HCKNYCWPSUBWBU-UHFFFAOYSA-N;142.2;1.13;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_Nda";;;;;;;0.87;;-1.99;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM437840;MM437840;C#CC1(C#N)C(=O)NC1C;YOLLLRDWJLKPND-UHFFFAOYSA-N;134.14;-0.35;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP1_SP1";;;;;;;-0.79;;-3.13;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM437841;MM437841;CC=CC1CC1C(O)C#N;FTIQOKARXIFSMI-UHFFFAOYSA-N;137.18;1.08;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC3_P3";;;;;;;0.6;;-0.8;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM437842;MM437842;CC=C1CCC(=CF)C1C;KBHXTZGKWPJLPP-UHFFFAOYSA-N;140.2;3.22;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC1_SC3";;;;;;;4.61;;0.31;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM437843;MM437843;C=CC(=CC)OC(C)=NN;HJJBJPKACNPXBM-UHFFFAOYSA-N;140.19;1.38;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1_P2";;;;;;;1.8;;0.4;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM437844;MM437844;CCCC1C=CC(CN)O1;SBVOZPFAJCRGAO-UHFFFAOYSA-N;141.21;1.07;;;;;DOPC;MDCG;27;1;"MARTINI bead: SC5_SP1";;;;;;;0.81;;-2.51;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM437846;MM437846;C#CC1(C=C)C(=O)OC1C;RNEZMDLCJHSONE-UHFFFAOYSA-N;136.15;0.74;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNa_SN0";;;;;;;1.17;;-1.18;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM437845;MM437845;C=CC(=CCOCC)CF;SXNLWGCNXSGWHF-UHFFFAOYSA-N;144.19;2.1;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_C4";;;;;;;2.2;;0.34;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM437847;MM437847;CC=CC1CC1C(F)C=O;CMMSZOCCNOEEBN-UHFFFAOYSA-N;142.17;1.74;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC3_P2";;;;;;;1.46;;-0.15;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM437848;MM437848;CC=C1CCC(=CF)C1N;WJGDFSDUFJXXGU-UHFFFAOYSA-N;141.19;1.91;;;;;DOPC;MDCG;27;1;"MARTINI bead: SC5_SC4";;;;;;;2.97;;0.57;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM437849;MM437849;C=CC(=CF)OC(C)=NN;RHIMBDUXODNHFQ-UHFFFAOYSA-N;144.15;1.29;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_C4";;;;;;;1.09;;-0.38;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM437850;MM437850;CCCC1C=CC(CO)O1;XCCCXZSPOBDTQR-UHFFFAOYSA-N;142.2;1.1;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC5_SP1";;;;;;;0.81;;-0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM437851;MM437851;C#CC1(C#N)C(=O)OC1C;BJMMQKKHVXWCAU-UHFFFAOYSA-N;135.12;0.07;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNa_SP1";;;;;;;0.04;;-2.54;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM437852;MM437852;CCOCC=C(C#N)CF;VKUQNSDTTRMOHK-UHFFFAOYSA-N;143.16;1.44;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_Na";;;;;;;0.87;;-2.22;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM437853;MM437853;CC=C1CN=C(NN)C1C;AHNRFFQNVDZLBR-UHFFFAOYSA-N;139.2;0.44;;;;;DOPC;MDCG;27;1;"MARTINI bead: SC4_SNd";;;;;;;2.2;;-1.14;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM437854;MM437854;CC=CC1CC1C(F)C#N;JFOWWUHOZFOTEB-UHFFFAOYSA-N;139.17;2.06;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC3_Na";;;;;;;2.57;;0.45;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM437855;MM437855;CN=c1c(F)c(F)on1N;ZVBAZKBOSBSOLM-UHFFFAOYSA-N;149.1;-0.4;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNa_SP1";;;;;;;0.04;;-2.54;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM437856;MM437856;CCCC1C=NN(CC)C1;QCSTZHZXDXNWGX-UHFFFAOYSA-N;140.23;1.72;;;;;DOPC;MDCG;27;0;"MARTINI bead: SN0_SN0";;;;;;;1.47;;-0.05;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM437857;MM437857;C#CC1(C#C)C(=O)NC1C;JQBWTWJPPIGPNK-UHFFFAOYSA-N;133.15;-0.24;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP1_SP1";;;;;;;-0.79;;-3.13;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM437858;MM437858;C=CC(=CCCCC)OC;VADQXWXBHTXAHR-UHFFFAOYSA-N;140.23;2.89;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1_C4";;;;;;;4.24;;0.42;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM437859;MM437859;CC1C(=CF)CN=C1NN;OLFZKJQNPNLKNL-UHFFFAOYSA-N;143.17;0.35;;;;;DOPC;MDCG;27;1;"MARTINI bead: SNa_SNd";;;;;;;0.87;;-3.47;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM437860;MM437860;C=CC(C)C1CC1C=NN;GQJUGMQUXOFJAN-UHFFFAOYSA-N;138.21;1.39;;;;;DOPC;MDCG;27;0;"MARTINI bead: C3_SNd";;;;;;;2.57;;0.53;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM437861;MM437861;CCN1CC(CCN)C=N1;FCBAHAXSIDWCJL-UHFFFAOYSA-N;141.22;0.27;;;;;DOPC;MDCG;27;1;"MARTINI bead: SN0_SP1";;;;;;;0.34;;-4.3;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM437862;MM437862;C#CC(=CC)OC(C)=NN;VPHOVYYIJMCTTR-UHFFFAOYSA-N;138.17;0.83;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4_P2";;;;;;;1.09;;-0.38;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM437864;MM437864;C#CC1(C#C)C(=O)OC1C;SZLAJJDGPBQCRF-UHFFFAOYSA-N;134.13;0.18;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNa_SN0";;;;;;;1.17;;-1.18;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM437863;MM437863;C=CC(=CCCCN)OC;YZKFKCNZQFAXLJ-UHFFFAOYSA-N;141.21;1.44;;;;;DOPC;MDCG;27;1;"MARTINI bead: C4_Nd";;;;;;;2.2;;-2.21;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM437865;MM437865;CC=C1COC(=CC)C1C;XJYWTQIQGOEHHE-UHFFFAOYSA-N;138.21;2.5;;;;;DOPC;MDCG;27;0;"MARTINI bead: SN0_SC4";;;;;;;2.5;;0.44;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM437866;MM437866;C#CCC=NNC=NC;HIYJMCDEJTUHCX-UHFFFAOYSA-N;123.16;0.24;;;;;DOPC;MDCG;27;0;"MARTINI bead: N0_Nd";;;;;;;1.17;;-1.04;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM437867;MM437867;CCCC1CN(CC)C=N1;NWXBEIJFKMIASB-UHFFFAOYSA-N;140.23;1.52;;;;;DOPC;MDCG;27;1;"MARTINI bead: SN0_SNd";;;;;;;1.17;;-3.21;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM437868;MM437868;C#CC(=CF)OC(C)=NN;BZBDWMTXHBCTQV-UHFFFAOYSA-N;142.13;0.74;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_C5";;;;;;;0.54;;-1.09;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM437869;MM437869;CC=NNC=CC=O;FFQWUJFHOFWYNS-UHFFFAOYSA-N;112.13;0.29;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nd_Na";;;;;;;0.87;;-1.88;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM437870;MM437870;CCC(CC)CC1CC1C;HUJIRPIAAVSDMH-UHFFFAOYSA-N;140.27;3.47;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1_SC5";;;;;;;3.68;;0.46;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM437871;MM437871;CCC(C)(C)CC(C)(C)O;QMEHJTXRYVSFES-UHFFFAOYSA-N;144.26;2.58;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1_Nda";;;;;;;2.91;;0.57;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM437872;MM437872;CCCC1CN(OC)C=N1;WZDDBZKUVDQREG-UHFFFAOYSA-N;142.2;1.06;;;;;DOPC;MDCG;27;0;"MARTINI bead: SN0_SP1";;;;;;;0.34;;-1.53;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM437873;MM437873;C=CC(F)C1CC1C=NN;VEUXBEKUPJSLLS-UHFFFAOYSA-N;142.18;1.09;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNd_Na";;;;;;;0.87;;-1.88;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM437874;MM437874;CCC(C)=CC(=NN)OC;VVZIOTVUTWPNIS-UHFFFAOYSA-N;142.2;1.26;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1_P1";;;;;;;2.08;;0.48;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM437875;MM437875;CCCCC=C(C#N)OC;RQHKODCQHPCJNM-UHFFFAOYSA-N;139.2;2.23;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1_Na";;;;;;;2.91;;0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM437876;MM437876;CNc1nn(N)cnc1=N;PIIATWZZHYIRIA-UHFFFAOYSA-N;140.15;-1.49;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_SP3";;;;;;;-2.2;;-5.19;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM437877;MM437877;CCCN1C=NC(CC)C1;SKNWIFMXNVHSDQ-UHFFFAOYSA-N;140.23;1.52;;;;;DOPC;MDCG;27;1;"MARTINI bead: SNd_SN0";;;;;;;1.17;;-3.15;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM437878;MM437878;CC=CC1CC1N(C)C=N;LSVSGQMETFESMC-UHFFFAOYSA-N;138.21;1.49;;;;;DOPC;MDCG;27;1;"MARTINI bead: SC3_P2";;;;;;;1.46;;-4.04;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM437879;MM437879;CCC=CC(C)C(C)(C)O;PITHNWDJIFEZMA-UHFFFAOYSA-N;142.24;2.36;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1_Nda";;;;;;;2.91;;0.57;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM437880;MM437880;COC(C=C(C)CF)=NN;QMOADXUFYIDJDO-UHFFFAOYSA-N;146.17;0.82;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_C4";;;;;;;1.37;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM437881;MM437881;COC=NNC1CC1;NGCFHVCFPBGFEY-UHFFFAOYSA-N;114.15;0.33;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_SC5";;;;;;;0.81;;-0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM437883;MM437883;CCC(CF)CC1CC1C;DRIDWESEIUWYTE-UHFFFAOYSA-N;144.23;3.03;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4_SC5";;;;;;;2.97;;0.45;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM437882;MM437882;CCCN1C=NC(CN)C1;IJACLTPNBFHCFE-UHFFFAOYSA-N;141.22;0.07;;;;;DOPC;MDCG;27;1;"MARTINI bead: SNd_SP3";;;;;;;-1.1;;-5.72;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM437884;MM437884;CC1C(=NO)NNC1=NO;ZJRJLJPFYZYJLH-UHFFFAOYSA-N;144.13;-0.69;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP3_SP2";;;;;;;-2.2;;-5.19;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM437885;MM437885;CC=CC1CC1N(N)C=N;AOBFBDRGQPVXDQ-UHFFFAOYSA-N;139.2;0.73;;;;;DOPC;MDCG;27;1;"MARTINI bead: SC3_P3";;;;;;;0.6;;-2.96;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM437886;MM437886;COC(C)=CC(=NN)OC;RMYGBZCFHMEZMV-UHFFFAOYSA-N;144.17;0.46;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_P1";;;;;;;0.81;;-0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM437887;MM437887;C=CC(=CCCOC)OC;ADYBZRXVFLSXAX-UHFFFAOYSA-N;142.2;1.74;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_C4";;;;;;;2.2;;0.34;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM437888;MM437888;C#CCc1nnc(O)o1;UQSRHWCQNUTMPO-UHFFFAOYSA-N;124.1;-0.05;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP1_SNa";;;;;;;0.04;;-7.85;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM437889;MM437889;CC=CC1CC1N(N)C=O;DDANASOMPFPWQQ-UHFFFAOYSA-N;140.19;0.28;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC3_P4";;;;;;;0.52;;-1.59;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM437890;MM437890;C=CCC1C=CC(CC)C1;VWLKGEYZPLESTL-UHFFFAOYSA-N;136.24;3.16;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC2_SC1";;;;;;;4.87;;0.53;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM437891;MM437891;CN1C(=CF)CCC1=NO;NKZZSZWTHYOWNH-UHFFFAOYSA-N;144.15;1.31;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNa_SNda";;;;;;;0.87;;-1.99;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM437892;MM437892;CC1CC1CC(CN)CN;GADVJQISCUCKFY-UHFFFAOYSA-N;142.25;0.57;;;;;DOPC;MDCG;27;1;"MARTINI bead: SC5_P3";;;;;;;-0.33;;-4.72;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM437893;MM437893;COCCC=C(C#N)OC;KHGUMWPWDSFICZ-UHFFFAOYSA-N;141.17;1.08;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_Na";;;;;;;0.87;;-2.22;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM437894;MM437894;CCC(CC)CC1CC1N;IPOKKALMCJEECP-UHFFFAOYSA-N;141.26;2.16;;;;;DOPC;MDCG;27;1;"MARTINI bead: C1_SNd";;;;;;;2.91;;-0.42;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM437895;MM437895;N=CN(N)C1CC1C=NN;IZSUNEIWYTVIFW-UHFFFAOYSA-N;141.18;-0.9;;;;;DOPC;MDCG;27;1;"MARTINI bead: SNd_P3";;;;;;;-1.1;;-6.11;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM437896;MM437896;ON=c1nno[nH]1;LHMVRNZFHSGPLY-UHFFFAOYSA-N;102.05;-1.31;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP3_SP2";;;;;;;-2.2;;-9.59;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM437898;MM437898;C=C1C(=CC)CCC1=CC;CIKRKRLGBFTBDO-UHFFFAOYSA-N;134.22;3.23;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC1_SC1";;;;;;;4.95;;0.69;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM437897;MM437897;CCC1C=CC(CC#N)C1;FIBOCYKPGWGJCA-UHFFFAOYSA-N;135.21;2.5;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC2_SC5";;;;;;;3.6;;0.34;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM437899;MM437899;C=CC(=CCNCC)OC;OQFQDXKYKSGBNA-UHFFFAOYSA-N;141.21;1.31;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_C4";;;;;;;2.2;;-1.61;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM437900;MM437900;CCC(CO)CC1CC1N;UQLWQRNIJPSOQT-UHFFFAOYSA-N;143.23;0.74;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nda_SNd";;;;;;;0.87;;-4.56;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM437901;MM437901;C=CCC1C=CC(CN)C1;HMLMQMUTHFUYCB-UHFFFAOYSA-N;137.23;1.71;;;;;DOPC;MDCG;27;1;"MARTINI bead: SNd_SC1";;;;;;;2.91;;-0.53;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM437902;MM437902;NN=CC1CC1N(N)C=O;QVBZLLYVUCYGOZ-UHFFFAOYSA-N;142.16;-1.35;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNd_P4";;;;;;;-1.19;;-4.91;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM437903;MM437903;CN=c1oc(O)nn1O;LYNHTSGTVADFFE-UHFFFAOYSA-N;131.09;-1.05;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP2_SP1";;;;;;;-1.06;;-8.83;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM437904;MM437904;C=C1C(=CC)CCC1=CF;MBPNYCRJHPCESE-UHFFFAOYSA-N;138.19;3.14;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC1_SC4";;;;;;;4.24;;0.42;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM437905;MM437905;C=CC(=CCOCC)OC;AVSZMNYBEKAUBH-UHFFFAOYSA-N;142.2;1.74;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_C4";;;;;;;2.2;;0.34;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM437906;MM437906;C=CC(C)C(C=C)C(C)O;KETIIVDURXHCFS-UHFFFAOYSA-N;140.23;1.99;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_C1";;;;;;;2.08;;0.48;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM437907;MM437907;CCC(CF)CC1CC1N;JNAGYDPGZITNBL-UHFFFAOYSA-N;145.22;1.72;;;;;DOPC;MDCG;27;1;"MARTINI bead: C4_SNd";;;;;;;2.2;;-2.07;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM437908;MM437908;C=NN(C)C1CC1C=CC;IHQPQRQSJCSVBL-UHFFFAOYSA-N;138.21;1.5;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC3_P1";;;;;;;1.74;;0.29;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM437909;MM437909;C=CC(C)=CC(=NN)OC;LCFAALJQJUWCCM-UHFFFAOYSA-N;140.19;1.04;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_C3";;;;;;;1.74;;0.29;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM437910;MM437910;C=C1C(=CF)CCC1=CF;MLBFHPWZIJVESM-UHFFFAOYSA-N;142.15;3.04;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC4_SC4";;;;;;;3.53;;0.53;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM437911;MM437911;CCOCC=C(C=O)OC;ZNFYAIHIVJGFAD-UHFFFAOYSA-N;144.17;0.75;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_Na";;;;;;;0.87;;-2.22;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM437912;MM437912;C=CCC1C=CC(CF)C1;DHQOXYXHRHPMRU-UHFFFAOYSA-N;140.2;2.72;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC5_SC1";;;;;;;3.68;;0.46;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM437913;MM437913;NCC(CN)CC1CC1N;LNDYKVKBCVVQSM-UHFFFAOYSA-N;143.23;-0.74;;;;;DOPC;MDCG;27;1;"MARTINI bead: P3_SNd";;;;;;;-1.1;;-6.88;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM437914;MM437914;CC=CC1NC1C(C)C#N;BITAUZGZHNJUJK-UHFFFAOYSA-N;136.2;1.06;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNd_P1";;;;;;;0.04;;-2.63;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM437915;MM437915;CC=C1CCC(=CN)C1=O;WUTUJUBHJPJUBO-UHFFFAOYSA-N;137.18;1.14;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC5_SNd";;;;;;;1.64;;0.02;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM437916;MM437916;NN=c1c(F)c(F)on1O;SCOQZZSCPCREKU-UHFFFAOYSA-N;151.07;-0.63;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNa_SP2";;;;;;;-0.24;;-3.24;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM437917;MM437917;CCOCC=C(C#N)OC;WTZUYCHCQAUUTK-UHFFFAOYSA-N;141.17;1.08;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_Na";;;;;;;0.87;;-2.22;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM437918;MM437918;N#CCC1C=CC(CF)C1;VKLYLCVVXNAQRA-UHFFFAOYSA-N;139.17;2.06;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC5_SC5";;;;;;;2.41;;0.64;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM437919;MM437919;NCC(CO)CC1CC1N;CUECWIKFXGNCJP-UHFFFAOYSA-N;144.22;-0.71;;;;;DOPC;MDCG;27;1;"MARTINI bead: P2_SNd";;;;;;;-0.24;;-6;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM437920;MM437920;NC=C1CCC(=CF)C1=O;OYVNNGHVMRVZNB-UHFFFAOYSA-N;141.15;1.05;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNd_SNa";;;;;;;0.87;;-1.88;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM437921;MM437921;C=CC(N)C1NC1C=CC;YXNVJXKHLSZLCI-UHFFFAOYSA-N;138.21;0.42;;;;;DOPC;MDCG;27;1;"MARTINI bead: SNd_P1";;;;;;;0.04;;-4.28;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM437922;MM437922;CCCNC=C(C=O)CC;BVLRSHWLCLXDPE-UHFFFAOYSA-N;141.21;1.48;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nd_Na";;;;;;;0.87;;-1.88;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM437923;MM437923;OC=C1C=C(F)C=N1;BCOQTIZXNNCTRA-UHFFFAOYSA-N;113.09;1.32;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNda_SNa";;;;;;;0.87;;-7.39;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM437924;MM437924;C=CCC1C=CC(NC)C1;UMWKGLHHWUNRFN-UHFFFAOYSA-N;137.23;1.73;;;;;DOPC;MDCG;27;1;"MARTINI bead: SNd_SC1";;;;;;;2.91;;-0.22;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM437925;MM437925;C=C1C(=CC)CCC1=NN;LZUXQNBBTRHVEZ-UHFFFAOYSA-N;136.2;1.6;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC1_SC5";;;;;;;3.68;;0.46;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM437926;MM437926;NCC(CF)CC1CC1N;ZCSNOOWVKXYPOQ-UHFFFAOYSA-N;146.21;0.27;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1_SNd";;;;;;;0.04;;-5.61;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM437927;MM437927;CCCNC=C(C#N)CC;GSSLZYKHIHGRRA-UHFFFAOYSA-N;138.21;1.8;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nd_C5";;;;;;;1.64;;0.02;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM437928;MM437928;CCC(C)CC(C)(O)CC;NOSOEGQGQOMHBF-UHFFFAOYSA-N;144.26;2.58;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1_Nda";;;;;;;2.91;;0.57;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM437929;MM437929;C=c1oc(C)c(C)c1=CC;GESSDOSGCFDIFE-UHFFFAOYSA-N;136.19;1.11;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC4_SC5";;;;;;;2.97;;0.45;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM437930;MM437930;C=CCC1C=CC(OC)C1;NIQCOWLAXRHQHW-UHFFFAOYSA-N;138.21;2.15;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNa_SC1";;;;;;;2.91;;0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM437931;MM437931;C=C1C(=CF)CCC1=NN;MFYYOZQKSROANB-UHFFFAOYSA-N;140.16;1.5;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNd_SC4";;;;;;;2.2;;0.32;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM437932;MM437932;CC=NNC(=N)CC(F)F;PJDMREXJAFNUQU-UHFFFAOYSA-N;149.14;1.21;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nd_N0";;;;;;;1.17;;-1.04;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM437933;MM437933;NC1CC1CC(CO)CO;IOZMVTPFGHRPIV-UHFFFAOYSA-N;145.2;-0.68;;;;;DOPC;MDCG;27;1;"MARTINI bead: SNd_P3";;;;;;;-1.1;;-6.54;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM437934;MM437934;CCCNC=C(C=O)CO;CUXJDVSKVXYBBY-UHFFFAOYSA-N;143.19;0.06;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nd_P2";;;;;;;-0.24;;-3.16;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM437935;MM437935;C=c1oc(C)c(C)c1=CF;NXAUKTLVPPNNGQ-UHFFFAOYSA-N;140.16;1.01;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC5_SNa";;;;;;;1.64;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM437936;MM437936;N=CNC1C=CC(CN)C1;PBTDQZIOMUNFHR-UHFFFAOYSA-N;139.2;0.09;;;;;DOPC;MDCG;27;1;"MARTINI bead: SNd_SNd";;;;;;;0.87;;-5.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM437937;MM437937;C=C1C(=CC)CNC1=NC;XALAMSAJSSKQRX-UHFFFAOYSA-N;136.2;1.12;;;;;DOPC;MDCG;27;1;"MARTINI bead: SN0_SNd";;;;;;;1.17;;-3.96;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM437938;MM437938;C=NNC(C)=NC(C)=CC;STXNUZDYDBRIGD-UHFFFAOYSA-N;139.2;1.53;;;;;DOPC;MDCG;27;0;"MARTINI bead: C2_P1";;;;;;;2;;0.34;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM437939;MM437939;O=CC(=CNCCO)CO;RQDBSWQYGCVZRP-UHFFFAOYSA-N;145.16;-1.36;;;;;DOPC;MDCG;27;0;"MARTINI bead: P3_P2";;;;;;;-2.2;;-5.19;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM437940;MM437940;C=CC(C#CCCF)=NN;XOMUHXHANIXHDO-UHFFFAOYSA-N;140.16;0.85;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nd_Na";;;;;;;0.87;;-1.88;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM437941;MM437941;C=c1oc(C)c(F)c1=CC;WWBPPLNTQTZROT-UHFFFAOYSA-N;140.16;0.94;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC4_SC5";;;;;;;2.97;;0.45;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM437942;MM437942;C=NNC1C=CC(CC)C1;LWWDTQFWEZAPGS-UHFFFAOYSA-N;138.21;1.55;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC2_SNd";;;;;;;2.83;;0.62;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM437943;MM437943;C=C1C(=CC)CN=C1NN;BVXCLSXRDYTTMQ-UHFFFAOYSA-N;137.19;0.36;;;;;DOPC;MDCG;27;1;"MARTINI bead: SC4_SNd";;;;;;;2.2;;-0.65;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM437944;MM437944;C=CC(F)C1OC1C=CC;MTRPHRNWGDJEBI-UHFFFAOYSA-N;142.17;1.85;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNa_Na";;;;;;;0.87;;-2.22;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM437945;MM437945;C=c1oc(C)c(F)c1=CF;HFWACAIRHIHJMO-UHFFFAOYSA-N;144.12;0.84;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC5_SNa";;;;;;;1.64;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM437946;MM437946;CC(=O)CN1CC1(C)C;CQQJAIHBKRQRQT-UHFFFAOYSA-N;127.19;0.67;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_SNd";;;;;;;0.04;;-2.63;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM437947;MM437947;C=C(F)C(=NN)OCOC;TUKOBXINYRDMIQ-UHFFFAOYSA-N;148.14;0.36;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_C5";;;;;;;0.54;;-1.09;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM437948;MM437948;CCC(CN)CC1CC1O;VKZBLWHFEIQSGQ-UHFFFAOYSA-N;143.23;0.74;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_SNda";;;;;;;0.87;;-4.73;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM437949;MM437949;C=C1C(=CC)COC1=CC;BJNVMDRRWPSUPK-UHFFFAOYSA-N;136.19;2.42;;;;;DOPC;MDCG;27;0;"MARTINI bead: SN0_SC5";;;;;;;1.94;;0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM437950;MM437950;C#CC1=C(C)C(=O)CC1C;ZGZIPDQVDGRWLO-UHFFFAOYSA-N;134.18;1.55;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNa_SC4";;;;;;;2.2;;0.34;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM437951;MM437951;CC=CC1OC1C(F)C=O;QOFOEZNBUOUGMS-UHFFFAOYSA-N;144.15;0.87;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNa_P2";;;;;;;-0.24;;-3.24;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM437952;MM437952;CCCNC=C(C=O)CF;IWWJTFQIBKNSEZ-UHFFFAOYSA-N;145.18;1.04;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nd_Na";;;;;;;0.87;;-1.88;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM437953;MM437953;COC1C=CC(NC=N)C1;NWBBSRLXHYAESX-UHFFFAOYSA-N;140.19;0.53;;;;;DOPC;MDCG;27;1;"MARTINI bead: SNa_SNd";;;;;;;0.87;;-5.6;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM437954;MM437954;Cn1oc(=NN)ncc1=N;RVHUGIYJTVZMID-UHFFFAOYSA-N;141.13;-1.73;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP2_SP3";;;;;;;-2.2;;-5.19;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM437955;MM437955;CC=CC1OC1C(F)C#N;GVQUDIJCHJFQAR-UHFFFAOYSA-N;141.15;1.19;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNa_Na";;;;;;;0.87;;-2.22;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM437956;MM437956;C=C1C(=CF)COC1=CC;ARKBBGBQVXEOCK-UHFFFAOYSA-N;140.16;2.33;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC5_SNa";;;;;;;1.64;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM437957;MM437957;C=CC1=C(C)C(F)=CC1C;SKBIAJWCNKFQKG-UHFFFAOYSA-N;138.19;2.99;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC5_SC2";;;;;;;3.6;;0.34;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM437958;MM437958;CCCNC=C(C#N)CF;VYYPDXFOWSTWQZ-UHFFFAOYSA-N;142.18;1.36;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nd_Na";;;;;;;0.87;;-1.88;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM437959;MM437959;NN=c1ncc(=O)n(N)o1;UQPRYAQRXWWCAU-UHFFFAOYSA-N;143.11;-2.68;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP3_SP3";;;;;;;-3.07;;-6.15;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM437960;MM437960;C=COC1C=CC(NC)C1;CTQVBRCTHUMSTJ-UHFFFAOYSA-N;139.2;1.06;;;;;DOPC;MDCG;27;1;"MARTINI bead: SNd_SC4";;;;;;;2.2;;-1.61;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM437961;MM437961;C=CC(C)C1CN1C=NC;MYMQBQRPJQIDMU-UHFFFAOYSA-N;138.21;1.15;;;;;DOPC;MDCG;27;1;"MARTINI bead: SP1_C3";;;;;;;1.74;;-1.74;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM437962;MM437962;CCC1C=CC(CC)C1C;FFJIMDAOAZIGBX-UHFFFAOYSA-N;138.25;3.24;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC1_SC2";;;;;;;4.87;;0.53;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM437963;MM437963;C#CC1=C(C)C(F)=CC1C;UVDZADBSENKWDH-UHFFFAOYSA-N;136.17;2.44;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC5_SC4";;;;;;;2.97;;0.45;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM437964;MM437964;O=CC(=CNCCF)CF;ASZAJSXTTXMLFD-UHFFFAOYSA-N;149.14;0.6;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_Na";;;;;;;-0.24;;-3.24;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM437965;MM437965;NCC(CN)CC1CC1O;YEHVRIUKNGORCA-UHFFFAOYSA-N;144.22;-0.71;;;;;DOPC;MDCG;27;1;"MARTINI bead: P3_SNda";;;;;;;-1.1;;-6.67;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM437966;MM437966;C=CCC1C=CC(CC)N1;DICBJCYRUIAWEK-UHFFFAOYSA-N;137.23;1.87;;;;;DOPC;MDCG;27;1;"MARTINI bead: SNd_SN0";;;;;;;1.17;;-4.6;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM437967;MM437967;CN=CN1CC1C(C)C=O;KGGVVFRXGPPUKA-UHFFFAOYSA-N;140.19;0.16;;;;;DOPC;MDCG;27;1;"MARTINI bead: SP1_Na";;;;;;;0.04;;-4.88;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM437968;MM437968;CCC1C=CC(CN)C1C;FLYFIOGESPDMCB-UHFFFAOYSA-N;139.24;1.79;;;;;DOPC;MDCG;27;1;"MARTINI bead: SC1_SNd";;;;;;;2.91;;-0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM437969;MM437969;C#CC1=C(C)C(F)=CC1=C;FKWOTDSPQSBNPM-UHFFFAOYSA-N;134.15;2.36;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC4_SC5";;;;;;;2.97;;0.45;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM437970;MM437970;CCCNC=C(C#N)OC;ASJBHCMFECIMLF-UHFFFAOYSA-N;140.19;1;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nd_Na";;;;;;;0.87;;-1.88;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM437971;MM437971;NCC(CO)CC1CC1O;SCURXWRUHOSOLZ-UHFFFAOYSA-N;145.2;-0.68;;;;;DOPC;MDCG;27;1;"MARTINI bead: P2_SNda";;;;;;;-0.24;;-5.74;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM437972;MM437972;C=CCC1C=CC(CC)O1;NKRIXYFJPBKRBW-UHFFFAOYSA-N;138.21;2.3;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNa_SC5";;;;;;;1.64;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM437973;MM437973;C=CC(N)=CC(=NN)OC;LMDXYRMXBLHGDK-UHFFFAOYSA-N;141.17;-0.07;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_N0";;;;;;;0.34;;-1.53;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM437974;MM437974;CN=CN1CC1C(C)C#N;ZFVIZOATAZYZOW-UHFFFAOYSA-N;137.19;0.49;;;;;DOPC;MDCG;27;1;"MARTINI bead: SP1_P1";;;;;;;-0.79;;-5.31;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM437975;MM437975;CCC=CCC(C)(O)CC;HLPAAQPFLFBUGY-UHFFFAOYSA-N;142.24;2.5;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1_Nda";;;;;;;2.91;;0.57;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM437976;MM437976;C=CC(=COCCC)CC;AAFWAUWJQFPCBF-UHFFFAOYSA-N;140.23;2.89;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_C1";;;;;;;2.91;;0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM437977;MM437977;OCC(CO)CC1CC1O;RMUOXCSOHBZRCP-UHFFFAOYSA-N;146.19;-0.64;;;;;DOPC;MDCG;27;0;"MARTINI bead: P3_SNda";;;;;;;-1.1;;-3.97;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM437978;MM437978;C=CCC1C=NN(CC)C1;IJMHSFRSFRVVSB-UHFFFAOYSA-N;138.21;1.5;;;;;DOPC;MDCG;27;0;"MARTINI bead: SN0_SN0";;;;;;;1.47;;-0.05;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM437979;MM437979;CN=CN1CC1C(O)C#N;OYDNIRVMEVNCIK-UHFFFAOYSA-N;139.16;-0.79;;;;;DOPC;MDCG;27;1;"MARTINI bead: SP1_P3";;;;;;;-1.93;;-6.25;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM437980;MM437980;CCC1CC1CC(C)CF;OQPNLIQMOPVYEH-UHFFFAOYSA-N;144.23;3.03;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC3_C4";;;;;;;3.9;;0.47;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM437981;MM437981;C=CC(=COCCN)CC;RMBDNSKXKOSGCS-UHFFFAOYSA-N;141.21;1.44;;;;;DOPC;MDCG;27;1;"MARTINI bead: C1_P3";;;;;;;0.94;;-1.8;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM437982;MM437982;CC1C(CN)C=CC1CN;FBYOWXXYMDDWGX-UHFFFAOYSA-N;140.23;0.34;;;;;DOPC;MDCG;27;1;"MARTINI bead: SNd_SNd";;;;;;;0.87;;-5.17;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM437983;MM437983;CCN1CC(CC#N)C=N1;QHZQQQMVSCRXPB-UHFFFAOYSA-N;137.19;0.84;;;;;DOPC;MDCG;27;0;"MARTINI bead: SN0_SP1";;;;;;;0.34;;-1.53;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM437984;MM437984;OCC(CF)CC1CC1O;WHRQPJCJEDYSEB-UHFFFAOYSA-N;148.18;0.34;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_SNda";;;;;;;0.04;;-2.73;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM437985;MM437985;C=CC(C)C1CN1N=CC;VAZBIZDYONXRIL-UHFFFAOYSA-N;138.21;1.5;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP1_C3";;;;;;;1.74;;0.29;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM437986;MM437986;C=CC(=COCCO)CC;FASPRUZSEHMBKZ-UHFFFAOYSA-N;142.2;1.48;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1_P3";;;;;;;0.94;;0.03;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM437987;MM437987;CC(CO)CC1CC1CN;MALSOMABVYOAEN-UHFFFAOYSA-N;143.23;0.6;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nda_SNd";;;;;;;0.87;;-4.72;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM437988;MM437988;NCC1C=CC(CN)C1N;IKQAELAJHUAXLS-UHFFFAOYSA-N;141.22;-0.97;;;;;DOPC;MDCG;27;1;"MARTINI bead: SP1_SNd";;;;;;;0.04;;-5.5;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM437989;MM437989;C=NNC1C=NN(CC)C1;ZVOBYHZMHSVKMM-UHFFFAOYSA-N;140.19;-0.12;;;;;DOPC;MDCG;27;0;"MARTINI bead: SN0_SP1";;;;;;;0.34;;-1.53;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM437990;MM437990;CCC(CC)CC1CC1F;DYRZMGVRGGPZKP-UHFFFAOYSA-N;144.23;3.17;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1_SNa";;;;;;;2.91;;0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM437991;MM437991;CC#CC(=N)NN=CCC;YKHLSJLRUPPQHP-UHFFFAOYSA-N;137.19;0.97;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nd_Nd";;;;;;;0.87;;-2.11;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM437992;MM437992;CCC1CC1CC(N)CF;XRDQCHKBOBYGPD-UHFFFAOYSA-N;145.22;1.72;;;;;DOPC;MDCG;27;1;"MARTINI bead: SC3_P1";;;;;;;1.74;;-1.09;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM437993;MM437993;CCC1C=CC(NC)C1C;UDKFDBRGCMIFAI-UHFFFAOYSA-N;139.24;1.81;;;;;DOPC;MDCG;27;1;"MARTINI bead: SC1_SNd";;;;;;;2.91;;-0.34;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM437994;MM437994;CCCOC=C(C#N)CC;LVNCSEOMICOMLS-UHFFFAOYSA-N;139.2;2.23;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_C5";;;;;;;1.64;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM437995;MM437995;C=COC1C=NN(CC)C1;NYXSFJCALYFNNB-UHFFFAOYSA-N;140.19;0.84;;;;;DOPC;MDCG;27;0;"MARTINI bead: SN0_SP1";;;;;;;0.34;;-1.53;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM437996;MM437996;CCC(CN)CC1CC1F;JLIFBUYTARFUCQ-UHFFFAOYSA-N;145.22;1.72;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_SNa";;;;;;;0.87;;-4.69;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM437997;MM437997;CC=NN1CC1C(C)C#N;LYPPFFIGTCBQOU-UHFFFAOYSA-N;137.19;0.84;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP1_P1";;;;;;;-0.79;;-3.13;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM437998;MM437998;NCC1CC1CC(N)CF;WMYFIMBOUARWDK-UHFFFAOYSA-N;146.21;0.27;;;;;DOPC;MDCG;27;1;"MARTINI bead: SNd_P2";;;;;;;-0.24;;-5.98;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM437999;MM437999;CNC1C=CC(CF)C1C;KVHJPQUNZOYMTN-UHFFFAOYSA-N;143.21;1.37;;;;;DOPC;MDCG;27;1;"MARTINI bead: SNd_SC4";;;;;;;2.2;;-1.97;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM438000;MM438000;C=CC(=COCCC)CN;RGFOEBWBIPKKHM-UHFFFAOYSA-N;141.21;1.44;;;;;DOPC;MDCG;27;1;"MARTINI bead: Na_Nd";;;;;;;0.87;;-4.02;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM438001;MM438001;C=CC(N)C1CN1N=CC;SVUSFICSKCTXIS-UHFFFAOYSA-N;139.2;0.19;;;;;DOPC;MDCG;27;1;"MARTINI bead: SP1_P1";;;;;;;-0.79;;-4.43;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM438002;MM438002;C=CCC1CN(CC)C=N1;WEKWELWDMHWZCX-UHFFFAOYSA-N;138.21;1.29;;;;;DOPC;MDCG;27;1;"MARTINI bead: SNd_SN0";;;;;;;1.17;;-3.12;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM438003;MM438003;C=NN=C1C=C(CC)CC1;RWHHHFYKZWNPJH-UHFFFAOYSA-N;136.2;2.17;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC2_SC5";;;;;;;3.6;;0.34;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM438004;MM438004;C#CC(C)=CC(=NN)OC;FHMOOXKGHXZZMY-UHFFFAOYSA-N;138.17;0.48;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_C5";;;;;;;0.81;;-0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM438005;MM438005;C=CC(=COCCN)CN;SYRNNBCQWPCQJG-UHFFFAOYSA-N;142.2;-0.01;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1_P1";;;;;;;-0.79;;-5.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM438006;MM438006;CNC1C=CC(CO)C1N;NBEDBFIFGUGZNV-UHFFFAOYSA-N;142.2;-0.92;;;;;DOPC;MDCG;27;1;"MARTINI bead: SP1_SNda";;;;;;;0.04;;-4.79;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM438007;MM438007;CCN1C=NC(CC#N)C1;PALSVNWFZHKBIX-UHFFFAOYSA-N;137.19;0.63;;;;;DOPC;MDCG;27;1;"MARTINI bead: SNd_SP1";;;;;;;0.04;;-4.47;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM438008;MM438008;C=CC(F)C1CN1N=CC;PDTSBHJDQVKDEE-UHFFFAOYSA-N;142.18;1.2;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP1_Na";;;;;;;0.04;;-2.54;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM438009;MM438009;CCC(CF)CC1CC1F;YFVYHMCROGJOEV-UHFFFAOYSA-N;148.2;2.73;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4_SNa";;;;;;;2.2;;0.34;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM438010;MM438010;CCC1CC1CC(O)CN;JYTBKRAPVVLYOV-UHFFFAOYSA-N;143.23;0.74;;;;;DOPC;MDCG;27;1;"MARTINI bead: SC3_P2";;;;;;;1.46;;-2.21;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM438011;MM438011;C=CC(=COCCC)CO;BTIYQVVXDWXYMG-UHFFFAOYSA-N;142.2;1.48;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_Nda";;;;;;;0.87;;-1.99;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM438012;MM438012;CNC1C=CC(NC)C1N;UFYMSJLIVMRUGN-UHFFFAOYSA-N;141.22;-0.94;;;;;DOPC;MDCG;27;1;"MARTINI bead: SP1_SNd";;;;;;;0.04;;-4.38;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM438013;MM438013;C=CCN1C=NC(CC)C1;HAEQBLOBABKCFF-UHFFFAOYSA-N;138.21;1.29;;;;;DOPC;MDCG;27;1;"MARTINI bead: SN0_SNd";;;;;;;1.17;;-2.66;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM438014;MM438014;C=CCC(O)C(C)C(C)C;MUJONTFSKQDQEX-UHFFFAOYSA-N;142.24;2.22;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1_Nda";;;;;;;2.91;;0.57;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM438015;MM438015;NCC(CN)CC1CC1F;RPBKEZZACKWOQP-UHFFFAOYSA-N;146.21;0.27;;;;;DOPC;MDCG;27;1;"MARTINI bead: P3_SNa";;;;;;;-1.1;;-6.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM438016;MM438016;CCC1CC1CC(O)CO;HWDFOHDYICHHPL-UHFFFAOYSA-N;144.21;0.78;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC3_P3";;;;;;;0.6;;-0.8;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM438017;MM438017;CCCOC=C(C=O)CO;PHSZVLZOPKPIEN-UHFFFAOYSA-N;144.17;0.49;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_P2";;;;;;;0.54;;-1.09;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM438018;MM438018;CCC1C=CC(CO)N1C;RHMRFHWEQNDFIQ-UHFFFAOYSA-N;141.21;0.63;;;;;DOPC;MDCG;27;1;"MARTINI bead: SN0_SNda";;;;;;;1.17;;-3.11;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM438019;MM438019;CC=CC1CN1C(C)C#N;QNIXDPDKVGZKKF-UHFFFAOYSA-N;136.2;1.16;;;;;DOPC;MDCG;27;0;"MARTINI bead: SN0_P2";;;;;;;0.06;;-2.21;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM438020;MM438020;C=CCN1C=NC(CN)C1;CYAJTTYUNAAIFB-UHFFFAOYSA-N;139.2;-0.16;;;;;DOPC;MDCG;27;1;"MARTINI bead: SP3_SNd";;;;;;;-1.1;;-5.27;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM438021;MM438021;NCC(CO)CC1CC1F;SZYNGLKWIXGOGG-UHFFFAOYSA-N;147.19;0.3;;;;;DOPC;MDCG;27;1;"MARTINI bead: P2_SNa";;;;;;;-0.24;;-5.67;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM438022;MM438022;CCC1CC1CC(O)CF;BUPJPJGOHZEROE-UHFFFAOYSA-N;146.21;1.75;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC3_P1";;;;;;;1.74;;0.29;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM438023;MM438023;CN1C(CN)C=CC1CN;RKMRBHQBBAHBEK-UHFFFAOYSA-N;141.22;-0.86;;;;;DOPC;MDCG;27;1;"MARTINI bead: SP1_SP2";;;;;;;-1.06;;-6.07;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM438024;MM438024;O=CC(=COCCO)CO;DBXNHUZVCMKQBP-UHFFFAOYSA-N;146.14;-0.93;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_P2";;;;;;;-1.34;;-4.31;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM438025;MM438025;C=CCN1CC(CC)C=N1;KTOWXEZRSLSQKB-UHFFFAOYSA-N;138.21;1.5;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP1_SN0";;;;;;;0.34;;-1.53;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM438026;MM438026;C#CC(C)C1CC1C=CC;IQZWFQVYLPLUBI-UHFFFAOYSA-N;134.22;2.47;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC3_C5";;;;;;;3.34;;0.48;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM438027;MM438027;CCC(CC1CC1C)NC;WEIUWTUXJOIPBG-UHFFFAOYSA-N;141.26;2.03;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_SC5";;;;;;;1.64;;-3.23;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM438028;MM438028;CCC1CC1CC(F)CN;BNAKKCCEJZASFK-UHFFFAOYSA-N;145.22;1.72;;;;;DOPC;MDCG;27;1;"MARTINI bead: SC3_P2";;;;;;;1.46;;-1.55;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM438029;MM438029;N#CC(=COCCO)CO;JKFOGGUBMUNESD-UHFFFAOYSA-N;143.14;-0.6;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_P2";;;;;;;-1.06;;-3.82;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM438030;MM438030;CCC1C=NN(CC)C1C;SZRRZIAOQALXIJ-UHFFFAOYSA-N;140.23;1.72;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP1_SN0";;;;;;;0.34;;-1.53;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM438031;MM438031;CCC1C=NN(CC#N)C1;PUEUTADULAICAU-UHFFFAOYSA-N;137.19;0.84;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP1_SP1";;;;;;;-0.79;;-3.13;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM438032;MM438032;C#CC(N)C1CC1C=CC;CJSJLCKUPDAQTH-UHFFFAOYSA-N;135.21;1.16;;;;;DOPC;MDCG;27;1;"MARTINI bead: SC3_P2";;;;;;;1.46;;-1.87;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM438033;MM438033;CCC1CC1CC(F)CO;BVDUPCOBGCSERP-UHFFFAOYSA-N;146.21;1.75;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC3_P1";;;;;;;1.74;;0.29;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM438034;MM438034;CNC(CN)CC1CC1C;PCBGTOIYYSFVQF-UHFFFAOYSA-N;142.25;0.58;;;;;DOPC;MDCG;27;1;"MARTINI bead: P3_SC5";;;;;;;-0.33;;-4.77;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM438035;MM438035;C=CCN1CC(CN)C=N1;WBAKRTWMNROVFY-UHFFFAOYSA-N;139.2;0.05;;;;;DOPC;MDCG;27;1;"MARTINI bead: SP1_SN0";;;;;;;0.34;;-3.62;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM438036;MM438036;CC(C)(C=O)C=NN=CN;ADOJHOUCWJWEDK-UHFFFAOYSA-N;141.17;0.18;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_Nd";;;;;;;0.87;;-1.88;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM438037;MM438037;O=CC(=COCCF)CO;QEYAWWNJWIKAED-UHFFFAOYSA-N;148.13;0.05;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_Na";;;;;;;-0.24;;-3.24;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM438038;MM438038;C#CC(O)C1CC1C=CC;OTXORNYGHVLCBL-UHFFFAOYSA-N;136.19;1.19;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC3_P2";;;;;;;1.46;;-0.15;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM438039;MM438039;CNC(CO)CC1CC1C;CBLGVRFNIGBGLS-UHFFFAOYSA-N;143.23;0.61;;;;;DOPC;MDCG;27;1;"MARTINI bead: P2_SC5";;;;;;;0.54;;-3.68;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM438040;MM438040;NCC1CC1CC(F)CO;MYYDWIOKZNKFBF-UHFFFAOYSA-N;147.19;0.3;;;;;DOPC;MDCG;27;1;"MARTINI bead: SNd_P2";;;;;;;-0.24;;-5.94;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM438041;MM438041;Cc1c(N)c(=NN)on1C;GGVHCGMWQGVIMK-UHFFFAOYSA-N;142.16;-0.72;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNd_SP2";;;;;;;-0.24;;-3.16;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM438042;MM438042;C=CC(=COCCC)CF;OWADOMZHHKLCKQ-UHFFFAOYSA-N;144.19;2.45;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_C4";;;;;;;2.2;;0.34;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM438043;MM438043;CCN1C=NC(CN)C1C;KXUSHSRVJDJDSY-UHFFFAOYSA-N;141.22;0.07;;;;;DOPC;MDCG;27;1;"MARTINI bead: SNd_SP3";;;;;;;-1.1;;-5.48;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM438044;MM438044;C#CC(N)C1CC1C=NO;DXCWMLGGRRKHDG-UHFFFAOYSA-N;138.17;0.04;;;;;DOPC;MDCG;27;1;"MARTINI bead: P2_SNda";;;;;;;-0.24;;-5.01;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM438045;MM438045;CCC1CC1CC(C)OC;NJHVSXGBBOEYQO-UHFFFAOYSA-N;142.24;2.46;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC3_Na";;;;;;;2.57;;0.45;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM438046;MM438046;CCC(CC1CC1N)NC;GGOZPYILGNCPFI-UHFFFAOYSA-N;142.25;0.72;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_SNd";;;;;;;0.87;;-5.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM438047;MM438047;Cc1c(N)c(=NN)on1N;WQQZQLISHJTFEJ-UHFFFAOYSA-N;143.15;-1.54;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNd_SP2";;;;;;;-0.24;;-3.16;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM438048;MM438048;C=CC(=COCCN)CF;GDYTWYFABLVTCP-UHFFFAOYSA-N;145.18;1;;;;;DOPC;MDCG;27;1;"MARTINI bead: P3_C4";;;;;;;0.23;;-3.03;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM438049;MM438049;CCN1C=NC(CO)C1C;PEGDVLDGPRQWHT-UHFFFAOYSA-N;142.2;0.1;;;;;DOPC;MDCG;27;1;"MARTINI bead: SNd_SP2";;;;;;;-0.24;;-4.38;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM438050;MM438050;C=C(C)C(C)C(O)CCC;ZBGCUNCSQSVVMQ-UHFFFAOYSA-N;142.24;2.36;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda_C1";;;;;;;2.91;;0.57;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM438051;MM438051;CNC(CN)CC1CC1N;RGMLEZONFKAXTP-UHFFFAOYSA-N;143.23;-0.73;;;;;DOPC;MDCG;27;1;"MARTINI bead: P3_SNd";;;;;;;-1.1;;-6.91;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM438052;MM438052;CCC1CC1NC(C)CN;DPUOSXWBXUFMTA-UHFFFAOYSA-N;142.25;0.72;;;;;DOPC;MDCG;27;1;"MARTINI bead: SNd_Nd";;;;;;;0.87;;-4.74;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM438053;MM438053;N#CCN1CC(CF)C=N1;YCGSENLNOFDKGQ-UHFFFAOYSA-N;141.15;0.4;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP1_SP1";;;;;;;-0.79;;-3.13;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM438054;MM438054;C=CC1C=CC(CC)C1C;ABBWILNIMZODAA-UHFFFAOYSA-N;136.24;3.02;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC1_SC4";;;;;;;4.24;;0.42;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM438055;MM438055;C=CC(=COCCF)CF;XZRAXQCSFBWFRV-UHFFFAOYSA-N;148.15;2.01;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_C4";;;;;;;1.09;;-0.38;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM438056;MM438056;C#CC(=N)NN=C(C)C#C;MRGAHFWPBCKYIC-UHFFFAOYSA-N;133.15;0.2;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_C5";;;;;;;0.54;;-1.09;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM438057;MM438057;CCC(CC1CC1O)NC;AOHSTELEPGNOKN-UHFFFAOYSA-N;143.23;0.76;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_SNda";;;;;;;0.87;;-4.95;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM438058;MM438058;CCC1CC1NC(C)CO;SLMVZYGKWPMIAL-UHFFFAOYSA-N;143.23;0.76;;;;;DOPC;MDCG;27;1;"MARTINI bead: SC3_P2";;;;;;;1.46;;-2.37;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM438059;MM438059;CCC1C=CC(C=O)C1C;SHKKJJYRRQGLFY-UHFFFAOYSA-N;138.21;2.03;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC1_SNa";;;;;;;2.91;;0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM438060;MM438060;C=CCN1CC(OC)C=N1;JCEJJGXZDVLHMG-UHFFFAOYSA-N;140.19;0.49;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP2_SN0";;;;;;;0.06;;-2.21;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM438061;MM438061;CCCOC=C(C=O)CF;GKPCROHSYZSEJF-UHFFFAOYSA-N;146.16;1.47;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_Na";;;;;;;0.87;;-2.22;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM438062;MM438062;C#CC(C)C1NC1C=NO;NPGPUGZFGRQODP-UHFFFAOYSA-N;138.17;0.06;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_SP2";;;;;;;0.54;;-1.09;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM438063;MM438063;CNC(CN)CC1CC1O;KEBQXDAVCSTCJA-UHFFFAOYSA-N;144.22;-0.7;;;;;DOPC;MDCG;27;1;"MARTINI bead: P3_SNda";;;;;;;-1.1;;-6.5;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM438064;MM438064;CCC1CC1OC(C)CN;GGXPMAVZBOFJLQ-UHFFFAOYSA-N;143.23;1.15;;;;;DOPC;MDCG;27;1;"MARTINI bead: SNa_Nd";;;;;;;0.87;;-3.97;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM438065;MM438065;CCC1C=CC(C#N)C1C;WZBUMRAUGPLTDS-UHFFFAOYSA-N;135.21;2.36;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC2_SC5";;;;;;;3.6;;0.34;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM438066;MM438066;COC1C=NN(CC#N)C1;PQKUVMCDMMURQX-UHFFFAOYSA-N;139.16;-0.17;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP2_SP1";;;;;;;-1.06;;-3.82;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM438067;MM438067;C#CC(F)C1OC1C=CC;AOGUATHPPYKCGB-UHFFFAOYSA-N;140.16;1.3;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNa_Na";;;;;;;0.87;;-2.22;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM438068;MM438068;CCCOC=C(C#N)CF;ZCMHMRWYMRFMIY-UHFFFAOYSA-N;143.16;1.79;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_Na";;;;;;;0.87;;-2.22;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM438069;MM438069;CNC(CO)CC1CC1O;REAIUZGRULMDEF-UHFFFAOYSA-N;145.2;-0.66;;;;;DOPC;MDCG;27;1;"MARTINI bead: P2_SNda";;;;;;;-0.24;;-5.61;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM438070;MM438070;CCC1CC1CN(C)CC;YQRVQJDYGNHPFZ-UHFFFAOYSA-N;141.26;1.98;;;;;DOPC;MDCG;27;1;"MARTINI bead: SC3_Nd";;;;;;;2.57;;-1.45;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM438071;MM438071;C#CCC1C=CC(CN)C1;LITRUHCTUKRWOU-UHFFFAOYSA-N;135.21;1.16;;;;;DOPC;MDCG;27;1;"MARTINI bead: SNd_SC4";;;;;;;2.2;;-2.19;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM438072;MM438072;C=CC1C=CC(CN)C1C;GHTUDEVNCZMSDC-UHFFFAOYSA-N;137.23;1.57;;;;;DOPC;MDCG;27;1;"MARTINI bead: SNd_SC4";;;;;;;2.2;;-2.18;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM438073;MM438073;N#CC(=COCCO)CF;YONJSUQVSDHKSA-UHFFFAOYSA-N;145.13;0.37;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_Na";;;;;;;0.04;;-2.54;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM438074;MM438074;C#CC1(C)CC(C#N)=NN1;NEXFAPCEYSVTBT-UHFFFAOYSA-N;133.15;0.25;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNd_SP1";;;;;;;0.04;;-2.63;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM438075;MM438075;CNC(CN)CC1CC1F;FUOUGQQXIGLWJQ-UHFFFAOYSA-N;146.21;0.28;;;;;DOPC;MDCG;27;1;"MARTINI bead: P3_SNa";;;;;;;-1.1;;-6.94;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM438076;MM438076;CCC1NC1CC(C)CN;YOVZVEVXODRIHB-UHFFFAOYSA-N;142.25;0.72;;;;;DOPC;MDCG;27;1;"MARTINI bead: SNd_Nd";;;;;;;0.87;;-4.94;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM438077;MM438077;Cn1oc(=NN)c(N)c1N;GENJHYGYXYQYLV-UHFFFAOYSA-N;143.15;-1.44;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP2_SP1";;;;;;;-1.06;;-3.82;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM438078;MM438078;C#CC(N)=NN(C)C(C)=O;OTSWKHQOZWBBDX-UHFFFAOYSA-N;139.16;-0.63;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_Na";;;;;;;-0.24;;-3.24;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM438079;MM438079;C=CC(=COCOC)CC;ASENIFGXLIFDTL-UHFFFAOYSA-N;142.2;2.09;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1_P2";;;;;;;1.8;;0.4;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM438080;MM438080;C#CC(C)C1CN1N=CC;AQGUQUBQWSMVNF-UHFFFAOYSA-N;136.2;0.95;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP1_C5";;;;;;;0.81;;-0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM438081;MM438081;CNC(CO)CC1CC1F;HDFWYASEMYUWNR-UHFFFAOYSA-N;147.19;0.31;;;;;DOPC;MDCG;27;1;"MARTINI bead: P2_SNa";;;;;;;-0.24;;-5.83;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM438082;MM438082;CCC(N)CC1NC1CC;WSDKWUCLXPYMSG-UHFFFAOYSA-N;142.25;0.86;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_SNd";;;;;;;0.87;;-4.83;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM438083;MM438083;C#CCC1C=CC(NC)C1;JRBLWBRXKKTGLU-UHFFFAOYSA-N;135.21;1.17;;;;;DOPC;MDCG;27;1;"MARTINI bead: SNd_SC4";;;;;;;2.2;;-1.84;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM438084;MM438084;C=CC1C=CC(CF)C1C;YCRSOWXIZSBOPP-UHFFFAOYSA-N;140.2;2.58;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC4_SC4";;;;;;;3.53;;0.53;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM438085;MM438085;CCC(C#N)=COCOC;YJXZMORBTMXSHR-UHFFFAOYSA-N;141.17;1.42;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_P2";;;;;;;0.54;;-1.09;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM438086;MM438086;C=C(CC)C1CC1C=CC;VUYJTRSVCULQAH-UHFFFAOYSA-N;136.24;3.16;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1_SC3";;;;;;;4.61;;0.31;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM438087;MM438087;CNC(CF)CC1CC1F;UTTNNRJJYSBUFT-UHFFFAOYSA-N;149.18;1.29;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1_SNa";;;;;;;0.04;;-4.21;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM438088;MM438088;CC(CF)CC1OC1CF;SSEJBXWHKOFYQV-UHFFFAOYSA-N;150.17;1.72;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4_SNa";;;;;;;2.2;;0.34;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM438089;MM438089;C=CC1C=CC(NC)C1C;UESJPPQWFKWKQN-UHFFFAOYSA-N;137.23;1.58;;;;;DOPC;MDCG;27;1;"MARTINI bead: SNd_SC3";;;;;;;2.57;;-1.3;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM438090;MM438090;C#CCC1C=CC(OC)C1;KQVOLYKUAYLTPI-UHFFFAOYSA-N;136.19;1.6;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNa_SC4";;;;;;;2.2;;0.34;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM438091;MM438091;C=CC(=COCOC)CF;YKBXTXAOEAJTLY-UHFFFAOYSA-N;146.16;1.65;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_C4";;;;;;;1.09;;-0.38;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM438092;MM438092;C=C(CN)C1CC1C=CC;FTTULKYIYXVYFE-UHFFFAOYSA-N;137.23;1.71;;;;;DOPC;MDCG;27;1;"MARTINI bead: SC3_Nd";;;;;;;2.57;;-0.97;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM438093;MM438093;CCC(CC1CC1C)OC;ZBFKGECWMIEGGJ-UHFFFAOYSA-N;142.24;2.46;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_SC5";;;;;;;1.64;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM438094;MM438094;CNC1C=CC(C=O)C1C;WETPYXHZOVTBIK-UHFFFAOYSA-N;139.2;0.6;;;;;DOPC;MDCG;27;1;"MARTINI bead: SNd_SNa";;;;;;;0.87;;-4.16;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM438095;MM438095;CCC1OC1CC(C)NC;BBJCIIAZDZUJLG-UHFFFAOYSA-N;143.23;1.16;;;;;DOPC;MDCG;27;1;"MARTINI bead: SNa_Nd";;;;;;;0.87;;-4.86;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM438096;MM438096;C#CCC1C=CC(CC)N1;DNFNAUPUTJWKNY-UHFFFAOYSA-N;135.21;1.32;;;;;DOPC;MDCG;27;1;"MARTINI bead: SN0_SNd";;;;;;;1.17;;-4.18;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM438097;MM438097;C=CC(=COCCC)OC;BZXIBLBRWLAZDO-UHFFFAOYSA-N;142.2;2.09;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_C4";;;;;;;2.2;;0.34;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM438098;MM438098;COC(CN)CC1CC1C;RYNIBALEBLYJCN-UHFFFAOYSA-N;143.23;1.01;;;;;DOPC;MDCG;27;1;"MARTINI bead: P2_SC5";;;;;;;0.54;;-3.15;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM438099;MM438099;COC(C=O)C=NN(C)C;CTHKUJWRDGVXIA-UHFFFAOYSA-N;144.17;-0.25;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_P2";;;;;;;-0.24;;-3.24;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM438100;MM438100;C=CC1C=CC(NC)C1N;AIIBXDHPTWXBFA-UHFFFAOYSA-N;138.21;0.27;;;;;DOPC;MDCG;27;1;"MARTINI bead: SP1_SC4";;;;;;;1.37;;-2.33;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM438101;MM438101;CCC1OC1CN(C)CC;ULLWVRGQVLARBD-UHFFFAOYSA-N;143.23;1.12;;;;;DOPC;MDCG;27;1;"MARTINI bead: SNa_Nd";;;;;;;0.87;;-3.31;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM438102;MM438102;C=CC(=COCCN)OC;KEDXEYXOMKFESR-UHFFFAOYSA-N;143.19;0.64;;;;;DOPC;MDCG;27;1;"MARTINI bead: C4_P3";;;;;;;0.23;;-3.03;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM438103;MM438103;C#CCC1C=CC(CN)N1;HCWDAYQJKYOGOE-UHFFFAOYSA-N;136.2;-0.14;;;;;DOPC;MDCG;27;1;"MARTINI bead: SP2_SP1";;;;;;;-1.06;;-6.46;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM438104;MM438104;COC(CO)CC1CC1C;JVXGGMAQOLNGEU-UHFFFAOYSA-N;144.21;1.04;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_SC5";;;;;;;0.54;;-1.09;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM438105;MM438105;C=C(CF)C1CC1C=CC;PHYHZKMSVRWJTI-UHFFFAOYSA-N;140.2;2.72;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC3_C4";;;;;;;3.9;;0.47;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM438106;MM438106;CCN1CC1CC(N)CF;PBEPCBRKOJTNME-UHFFFAOYSA-N;146.21;0.38;;;;;DOPC;MDCG;27;1;"MARTINI bead: SNd_P1";;;;;;;0.04;;-4.05;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM438107;MM438107;C=CC1C=CC(OC)C1C;LSOJXYBVGJMIJL-UHFFFAOYSA-N;138.21;2.01;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC5_SC4";;;;;;;2.97;;0.45;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM438108;MM438108;C#CCC1C=CC(CO)O1;BJOCHLIWHWIJAZ-UHFFFAOYSA-N;138.17;0.33;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP1_SN0";;;;;;;0.34;;-1.53;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM438109;MM438109;C=CC(=COCCO)OC;NVQGBSKHOQBTSI-UHFFFAOYSA-N;144.17;0.67;;;;;DOPC;MDCG;27;0;"MARTINI bead: N0_P1";;;;;;;0.34;;-1.53;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM438110;MM438110;CC=CC1CC1C(=O)CC;QVTBLRNNFIXLPD-UHFFFAOYSA-N;138.21;2.18;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_SC3";;;;;;;2.57;;0.45;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM438111;MM438111;CCC(CC1CC1N)OC;GZIHEYQULVVAOA-UHFFFAOYSA-N;143.23;1.15;;;;;DOPC;MDCG;27;1;"MARTINI bead: Na_SNd";;;;;;;0.87;;-4.53;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM438112;MM438112;C=CC1C=CC(CC)N1C;DWJPPCWXFMNVSJ-UHFFFAOYSA-N;137.23;1.82;;;;;DOPC;MDCG;27;1;"MARTINI bead: SN0_SNd";;;;;;;1.17;;-2.98;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM438113;MM438113;CCN(C)CC1CN1CC;OYCUYQCNYJEZMB-UHFFFAOYSA-N;142.25;0.64;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_SNd";;;;;;;0.87;;-3.76;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM438114;MM438114;C#CCC1C=NN(CC)C1;RVRUGDUBWHKVRE-UHFFFAOYSA-N;136.2;0.95;;;;;DOPC;MDCG;27;0;"MARTINI bead: SN0_SP1";;;;;;;0.34;;-1.53;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM438115;MM438115;C=CC(=COCCF)OC;DCHBQPZFDUROPM-UHFFFAOYSA-N;146.16;1.65;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4_P2";;;;;;;1.09;;-0.38;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM438116;MM438116;COC(CN)CC1CC1N;JTWZWXSXVLSTFN-UHFFFAOYSA-N;144.22;-0.3;;;;;DOPC;MDCG;27;1;"MARTINI bead: P2_SP1";;;;;;;-1.06;;-6.54;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM438117;MM438117;CC=CC1CC1C(=O)CF;NOVKDFWXHSSGEA-UHFFFAOYSA-N;142.17;1.74;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC3_Na";;;;;;;2.57;;0.45;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM438118;MM438118;C#CCC1CN(CC)C=N1;GZYVDHDETMDPNP-UHFFFAOYSA-N;136.2;0.74;;;;;DOPC;MDCG;27;1;"MARTINI bead: SNd_SP1";;;;;;;0.04;;-4.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM438119;MM438119;CCC1C=CN(C=N)C1C;FLHFMEGZXWTQAQ-UHFFFAOYSA-N;138.21;1.84;;;;;DOPC;MDCG;27;1;"MARTINI bead: SN0_SNd";;;;;;;1.17;;-4.39;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM438120;MM438120;CCC1CN1CC(C)CN;PTIMNFMOBVRIPZ-UHFFFAOYSA-N;142.25;0.68;;;;;DOPC;MDCG;27;1;"MARTINI bead: SNd_Nd";;;;;;;0.87;;-4.6;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM438121;MM438121;CCCOC=C(C=O)OC;CMRSQPVAXJWRIY-UHFFFAOYSA-N;144.17;1.1;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_Na";;;;;;;0.87;;-2.22;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM438122;MM438122;COC(CO)CC1CC1N;ZUSVRSLUYBTOGY-UHFFFAOYSA-N;145.2;-0.27;;;;;DOPC;MDCG;27;1;"MARTINI bead: P2_SNd";;;;;;;-0.24;;-5.79;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM438123;MM438123;C=C(CC)C1CC1C=NN;NPOJMIJOQGLVCN-UHFFFAOYSA-N;138.21;1.53;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1_SNd";;;;;;;2.91;;0.63;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM438124;MM438124;CCC1CN1CC(O)CN;WAYJUMQUWQZIBZ-UHFFFAOYSA-N;144.22;-0.6;;;;;DOPC;MDCG;27;1;"MARTINI bead: SNd_P3";;;;;;;-1.1;;-5.77;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM438125;MM438125;CC1C(CO)C=CN1C=N;VMFQMDWJGDXLNV-UHFFFAOYSA-N;140.19;0.42;;;;;DOPC;MDCG;27;1;"MARTINI bead: SP2_SNd";;;;;;;-0.24;;-6.41;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM438126;MM438126;C#CCC1CN(OC)C=N1;AHUWUGOLVHWONO-UHFFFAOYSA-N;138.17;0.28;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP1_SP1";;;;;;;-0.79;;-3.13;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM438127;MM438127;CCCOC=C(C#N)OC;YEGPBTLWTBWKSD-UHFFFAOYSA-N;141.17;1.42;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_Na";;;;;;;0.87;;-2.22;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM438128;MM438128;CCC(CC1CC1O)OC;USTARVHFUAVBNV-UHFFFAOYSA-N;144.21;1.18;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_SNda";;;;;;;0.87;;-1.99;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM438129;MM438129;C#CC1(CC(=O)CC)CN1;YLZOMUSDKJPGAQ-UHFFFAOYSA-N;137.18;0.33;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_SP3";;;;;;;-1.1;;-4.2;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM438130;MM438130;C=CC(C)CC1CC1CC;LDIKCQVSWNXNDH-UHFFFAOYSA-N;138.25;3.24;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC3_C3";;;;;;;4.27;;0.2;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM438131;MM438131;C=CC(=COCOC)OC;QYVQXEKUAIZZPI-UHFFFAOYSA-N;144.17;1.28;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_C4";;;;;;;1.09;;-0.38;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM438132;MM438132;COC(CN)CC1CC1O;HUMMPDXFPFQESS-UHFFFAOYSA-N;145.2;-0.27;;;;;DOPC;MDCG;27;1;"MARTINI bead: P2_SNda";;;;;;;-0.24;;-5.38;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM438133;MM438133;CC1C(CF)C=CN1C=O;YUEHBTMQCQJUFQ-UHFFFAOYSA-N;143.16;0.95;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNa_SNda";;;;;;;0.87;;-1.99;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM438134;MM438134;C#CCN1CC(CC)C=N1;MNLSIVZLURWQIA-UHFFFAOYSA-N;136.2;0.95;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP1_SP1";;;;;;;-0.79;;-3.13;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM438135;MM438135;C=C(CF)C1CC1C=NN;BBPXICFXRPZXNG-UHFFFAOYSA-N;142.18;1.09;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNd_C4";;;;;;;2.2;;0.32;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM438136;MM438136;CCC1CC1CC(C)C=O;BVEREMYUDSCGSS-UHFFFAOYSA-N;140.23;2.26;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC3_Na";;;;;;;2.57;;0.45;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM438137;MM438137;C=CC(CC)=NNCCC;ZZGPYRMJJFRKJX-UHFFFAOYSA-N;140.23;1.94;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nd_N0";;;;;;;1.17;;-1.04;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM438138;MM438138;CNC1C=CN(C=O)C1C;HFCJQAYOEPJQIH-UHFFFAOYSA-N;140.19;-0.05;;;;;DOPC;MDCG;27;1;"MARTINI bead: SP2_SNda";;;;;;;-0.24;;-4.84;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM438139;MM438139;COC(CF)CC1CC1O;NTXHUFNCPIIQQC-UHFFFAOYSA-N;148.18;0.74;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_SP1";;;;;;;0.04;;-2.54;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM438140;MM438140;C#CCN1CC(CN)C=N1;KWPSZIQHMBPDFH-UHFFFAOYSA-N;137.19;-0.5;;;;;DOPC;MDCG;27;1;"MARTINI bead: SP1_SP1";;;;;;;-0.79;;-5.22;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM438141;MM438141;CC=CC1CC1C(=N)NC;OFQAKWRLEXFLSS-UHFFFAOYSA-N;138.21;1.4;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1_SC3";;;;;;;1.74;;-4.39;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM438142;MM438142;COC(CCC(C)F)=NN;VZPIXUSFUOWGHD-UHFFFAOYSA-N;148.18;1.04;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda_C5";;;;;;;1.64;;0.05;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM438143;MM438143;C=CC1(O)CC(C)C1C;DTCXVTJLSJRKSS-UHFFFAOYSA-N;126.2;1.58;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC4_SNda";;;;;;;2.2;;0.49;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM438144;MM438144;COC1C=CN(C=N)C1C;OUVGYWKNHAVNSQ-UHFFFAOYSA-N;140.19;0.83;;;;;DOPC;MDCG;27;1;"MARTINI bead: SP1_SNd";;;;;;;0.04;;-5.17;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM438145;MM438145;COC(CN)CC1CC1F;LGIHEAYRQYDLDB-UHFFFAOYSA-N;147.19;0.71;;;;;DOPC;MDCG;27;1;"MARTINI bead: P2_SNa";;;;;;;-0.24;;-5.31;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM438146;MM438146;NN=c1on(N)c(N)c1N;KQZFHUGWEVFKGF-UHFFFAOYSA-N;144.14;-2.27;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP2_SP1";;;;;;;-1.06;;-3.82;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM438147;MM438147;C=CC1(C)C(=C)CCC1O;UUQCCEYLJDGWIL-UHFFFAOYSA-N;138.21;1.89;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNda_SC1";;;;;;;2.91;;0.57;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM438148;MM438148;C=CC(O)CC1CC1CN;UNNYAPRSWIUTKY-UHFFFAOYSA-N;141.21;0.52;;;;;DOPC;MDCG;27;1;"MARTINI bead: SNd_Nda";;;;;;;0.87;;-4.72;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM438149;MM438149;O=CC(CO)=NNCCO;ZRMNGOAHJXCMHB-UHFFFAOYSA-N;146.15;-1.88;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_P2";;;;;;;-1.06;;-3.82;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM438150;MM438150;COC1C=CN(C=O)C1C;ODISYQJCZPPDFT-UHFFFAOYSA-N;141.17;0.38;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP1_SNda";;;;;;;0.04;;-2.73;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM438151;MM438151;COC(CC1CC1N)OC;OXZZNKOFPRTPAW-UHFFFAOYSA-N;145.2;0.34;;;;;DOPC;MDCG;27;1;"MARTINI bead: Na_SP1";;;;;;;0.04;;-5.17;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM438152;MM438152;C#CCN1CC(CF)C=N1;KMLYRWZMIPUUTL-UHFFFAOYSA-N;140.16;0.51;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP1_SP1";;;;;;;-0.79;;-3.13;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM438153;MM438153;CNC(=N)C1CC1C=NN;BWPHKLUOEDQKPA-UHFFFAOYSA-N;140.19;-0.24;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1_SNd";;;;;;;0.04;;-7.7;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM438154;MM438154;C=CC(F)CC1CC1CC;YXPNWDTVIOSFMU-UHFFFAOYSA-N;142.22;2.95;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC3_C4";;;;;;;3.9;;0.47;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM438155;MM438155;N#CC(CO)=NNCCF;IQRKEMVEAPUIJR-UHFFFAOYSA-N;145.14;-0.58;;;;;DOPC;MDCG;27;0;"MARTINI bead: P3_C5";;;;;;;-0.33;;-2.01;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM438156;MM438156;CCC1C=NN(C=N)C1C;KJNJVDSDQBPGOK-UHFFFAOYSA-N;139.2;1.31;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP1_SP1";;;;;;;-0.79;;-3.13;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM438157;MM438157;COC(CC1CC1O)OC;ZVHHDYAJIMGMNY-UHFFFAOYSA-N;146.19;0.38;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_SP1";;;;;;;0.04;;-2.54;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM438158;MM438158;C#CCN1CC(OC)C=N1;ZJELYKXCMWGHDV-UHFFFAOYSA-N;138.17;-0.06;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP2_SP1";;;;;;;-1.06;;-3.82;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM438159;MM438159;C=C(OC)C1CC1C=CC;PXKOUROEOVWYCX-UHFFFAOYSA-N;138.21;2.36;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_SC3";;;;;;;3.34;;0.48;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM438160;MM438160;C=CC(C)NC1CC1CC;URPCJFQJZCLAQO-UHFFFAOYSA-N;139.24;1.95;;;;;DOPC;MDCG;27;1;"MARTINI bead: SC3_Nd";;;;;;;2.57;;-1.01;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM438161;MM438161;CCC1C=NN(C=O)C1C;QAORVBRFKQCUCY-UHFFFAOYSA-N;140.19;0.86;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP1_SP1";;;;;;;-0.79;;-3.13;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM438162;MM438162;C=CC(CF)=NNCCC;MUQGLCNMCBRFCI-UHFFFAOYSA-N;144.19;1.5;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nd_Na";;;;;;;0.87;;-1.88;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM438163;MM438163;COC(CC1CC1F)OC;KFAMQHRYFGYLTF-UHFFFAOYSA-N;148.18;1.35;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_SNa";;;;;;;0.87;;-2.22;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM438164;MM438164;CCNC1C=CC(C=O)C1;JVNROZCKIWOAAL-UHFFFAOYSA-N;139.2;0.74;;;;;DOPC;MDCG;27;1;"MARTINI bead: SC5_SNa";;;;;;;1.64;;-2.17;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM438165;MM438165;C=C(CN)C1NC1C=CC;JVMAGAIGXZYMCU-UHFFFAOYSA-N;138.21;0.42;;;;;DOPC;MDCG;27;1;"MARTINI bead: SNd_P1";;;;;;;0.04;;-4.54;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM438166;MM438166;COC1C=NN(C=O)C1C;LBGOUJFNEYBILL-UHFFFAOYSA-N;142.16;-0.15;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP2_SP1";;;;;;;-1.06;;-3.82;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM438167;MM438167;C=CC(C)OC1CC1CC;FIOJRPMOPQJBEP-UHFFFAOYSA-N;140.23;2.38;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNa_C3";;;;;;;2.57;;0.45;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM438168;MM438168;CC1(C)CC1C1(O)CC1;NVQGBXOJAVLOIH-UHFFFAOYSA-N;126.2;1.56;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC4_SP1";;;;;;;1.37;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM438169;MM438169;CCC(CC)NC1CC1C;KPMABHVDRVJKGJ-UHFFFAOYSA-N;141.26;2.17;;;;;DOPC;MDCG;27;1;"MARTINI bead: C1_SNd";;;;;;;2.91;;-0.96;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM438170;MM438170;C=CC1C=CC(CCC)N1;LVQCGRJHVYVKAV-UHFFFAOYSA-N;137.23;1.87;;;;;DOPC;MDCG;27;1;"MARTINI bead: SC5_SN0";;;;;;;1.94;;-1.6;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM438171;MM438171;C=C(CF)C1NC1C=CC;RTDHTAOHSSSBHM-UHFFFAOYSA-N;141.19;1.43;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNd_Na";;;;;;;0.87;;-1.88;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM438172;MM438172;C=CC1N=CN(CC)C1C;VQTANNRHQKHLDT-UHFFFAOYSA-N;138.21;1.29;;;;;DOPC;MDCG;27;1;"MARTINI bead: SNd_SP1";;;;;;;0.04;;-3.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM438173;MM438173;CCC1CC1CN(C)C=N;KBABESIWMIIBOV-UHFFFAOYSA-N;140.23;1.57;;;;;DOPC;MDCG;27;1;"MARTINI bead: SC3_P2";;;;;;;1.46;;-4.37;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM438174;MM438174;CNN=COC=C(C)F;MICDFVAUYGPJST-UHFFFAOYSA-N;132.14;1;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_C5";;;;;;;0.54;;-1.09;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM438175;MM438175;CCC(CN)NC1CC1C;PAEBYVVTPQIUAG-UHFFFAOYSA-N;142.25;0.72;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_SNd";;;;;;;0.87;;-4.85;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM438176;MM438176;C=CC1C=CC(CCN)N1;ZBPQIZHZPNVIJD-UHFFFAOYSA-N;138.21;0.42;;;;;DOPC;MDCG;27;1;"MARTINI bead: SP1_SNd";;;;;;;0.04;;-5.39;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM438177;MM438177;C#CC(NN=C)C(F)CC;IDOZPBXCWBQTOW-UHFFFAOYSA-N;142.18;0.94;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4_P1";;;;;;;1.37;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM438178;MM438178;CCC1CC1CN(C)C=O;GHMARSAGFJABND-UHFFFAOYSA-N;141.21;1.12;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC3_P2";;;;;;;1.46;;-0.15;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM438179;MM438179;C=CC1C=NN(CC)C1C;YIYXRPRCQZRXPG-UHFFFAOYSA-N;138.21;1.5;;;;;DOPC;MDCG;27;0;"MARTINI bead: SN0_SP1";;;;;;;0.34;;-1.53;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM438180;MM438180;C=CC(CC)=NOCCN;IQYQIDMBFQQCMS-UHFFFAOYSA-N;142.2;0.91;;;;;DOPC;MDCG;27;1;"MARTINI bead: C5_P1";;;;;;;0.81;;-1.95;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM438181;MM438181;CCC(CO)NC1CC1C;SGLFSSUCIUZCCA-UHFFFAOYSA-N;143.23;0.76;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nda_SNd";;;;;;;0.87;;-4.41;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM438182;MM438182;CCCC1C=CC(C#N)O1;RSKFUJRFZIYJAW-UHFFFAOYSA-N;137.18;1.63;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC5_SNa";;;;;;;1.64;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM438183;MM438183;C#CC(ON=C)C(C)C#N;KFZMPLKWUDXGCB-UHFFFAOYSA-N;136.15;0.78;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_P1";;;;;;;0.81;;-0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM438184;MM438184;C#CC1C=CC(CC)C1C;MVOGVBNRGZNHPW-UHFFFAOYSA-N;134.22;2.47;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC1_SC5";;;;;;;3.68;;0.46;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM438185;MM438185;CN(C=N)CC1CC1CN;GLGCCNVALLOENP-UHFFFAOYSA-N;141.22;0.12;;;;;DOPC;MDCG;27;1;"MARTINI bead: P2_SNd";;;;;;;-0.24;;-7.55;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM438186;MM438186;CCC(C=O)=NOCCF;BLZRVKNYEJXLTK-UHFFFAOYSA-N;147.15;0.94;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_C5";;;;;;;0.54;;-1.09;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM438187;MM438187;CCC(CF)NC1CC1C;FXZVGKIUXNNDNO-UHFFFAOYSA-N;145.22;1.73;;;;;DOPC;MDCG;27;1;"MARTINI bead: C4_SNd";;;;;;;2.2;;-0.98;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM438188;MM438188;CNCC1C=CN(C=N)C1;JKISXTXKWBCJDG-UHFFFAOYSA-N;139.2;0.26;;;;;DOPC;MDCG;27;1;"MARTINI bead: SP1_SP1";;;;;;;-0.79;;-6.69;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM438189;MM438189;C=NOCC(=CC)C(C)=O;QQSWPPWLUJGJIB-UHFFFAOYSA-N;141.17;1.15;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_P1";;;;;;;0.81;;-0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM438190;MM438190;C#CC1C=CC(CN)C1C;WTIPNWYYOCFTMS-UHFFFAOYSA-N;135.21;1.02;;;;;DOPC;MDCG;27;1;"MARTINI bead: SNd_SC5";;;;;;;1.64;;-2.66;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM438191;MM438191;C=CC(CN)=NOCCC;COTNWVXURANGCK-UHFFFAOYSA-N;142.2;0.91;;;;;DOPC;MDCG;27;1;"MARTINI bead: Na_Nd";;;;;;;0.87;;-3.25;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM438192;MM438192;CCC1CC1CN(N)C=N;XKEBVLHRJLBUMH-UHFFFAOYSA-N;141.22;0.82;;;;;DOPC;MDCG;27;1;"MARTINI bead: SC3_P3";;;;;;;0.6;;-3.33;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM438193;MM438193;CNCC1C=CN(C=O)C1;BWJLCTONXQOEHN-UHFFFAOYSA-N;140.19;-0.19;;;;;DOPC;MDCG;27;1;"MARTINI bead: SP1_SP1";;;;;;;-0.79;;-6.03;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM438194;MM438194;CC1CC1NC(CN)CN;FAHWXIQREXZETA-UHFFFAOYSA-N;143.23;-0.73;;;;;DOPC;MDCG;27;1;"MARTINI bead: SNd_P3";;;;;;;-1.1;;-6.23;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM438195;MM438195;CC=CC1NC1C(=N)NN;FKXGQMWNAXXZPW-UHFFFAOYSA-N;140.19;-0.66;;;;;DOPC;MDCG;27;1;"MARTINI bead: SNd_P4";;;;;;;-1.19;;-6.75;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM438196;MM438196;CC(=O)ON=C(N)C=CN;MQQDVOBEUHKZSG-UHFFFAOYSA-N;143.15;-0.71;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_P1";;;;;;;-0.79;;-3.13;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM438197;MM438197;C=CC(CN)=NOCCN;VWRYGZRHRCWWTL-UHFFFAOYSA-N;143.19;-0.54;;;;;DOPC;MDCG;27;1;"MARTINI bead: P3_Nd";;;;;;;-1.1;;-5.64;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM438198;MM438198;CC1CC1NC(CN)CO;LSYXGZLHNHKXSZ-UHFFFAOYSA-N;144.22;-0.7;;;;;DOPC;MDCG;27;1;"MARTINI bead: SNd_P2";;;;;;;-0.24;;-5.24;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM438199;MM438199;CCNC1C=CN(C=N)C1;NRGALMPRIXCEEG-UHFFFAOYSA-N;139.2;0.4;;;;;DOPC;MDCG;27;1;"MARTINI bead: SP1_SP1";;;;;;;-0.79;;-6.3;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM438200;MM438200;CCC1CC1CN(N)C=O;IILVGFZPIDHSLA-UHFFFAOYSA-N;142.2;0.36;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC3_P4";;;;;;;0.52;;-1.59;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM438201;MM438201;C=C(F)C(C#N)C=NOC;BJNBVPMTOCVRON-UHFFFAOYSA-N;142.13;1.24;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_C5";;;;;;;0.81;;-0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM438202;MM438202;C#CC1C=CC(CF)C1C;IJABWODZSTURCC-UHFFFAOYSA-N;138.19;2.03;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC4_SC5";;;;;;;2.97;;0.45;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM438203;MM438203;CNN=COC=C(F)F;YNFHPEWKSRNCCM-UHFFFAOYSA-N;136.1;0.9;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_C4";;;;;;;1.09;;-0.38;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM438204;MM438204;CC1CC1NC(CO)CO;XRXVXGXSCHPTCN-UHFFFAOYSA-N;145.2;-0.66;;;;;DOPC;MDCG;27;1;"MARTINI bead: SNd_P3";;;;;;;-1.1;;-5.68;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM438205;MM438205;CCNC1C=CN(C=O)C1;PVCZOMHJAVCBBL-UHFFFAOYSA-N;140.19;-0.05;;;;;DOPC;MDCG;27;1;"MARTINI bead: SP1_SP1";;;;;;;-0.79;;-4.61;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM438206;MM438206;CCC1CC1CN(O)C=N;UCYCWDUILYJNBU-UHFFFAOYSA-N;142.2;1.33;;;;;DOPC;MDCG;27;1;"MARTINI bead: SC3_P2";;;;;;;1.46;;-1.22;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM438207;MM438207;C#CC1C=CC(NC)C1C;WVVPXRBKMYFGPK-UHFFFAOYSA-N;135.21;1.03;;;;;DOPC;MDCG;27;1;"MARTINI bead: SNd_SC5";;;;;;;1.64;;-2.41;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM438208;MM438208;CC#CC1CN=C(C#N)N1;PSKZTFYEYTVPOJ-UHFFFAOYSA-N;133.15;-0.1;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP1_SP1";;;;;;;-0.79;;-3.13;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM438209;MM438209;CCCON=C(C#N)CO;ZYIBEZFUYJLOCU-UHFFFAOYSA-N;142.16;0.28;;;;;DOPC;MDCG;27;0;"MARTINI bead: C3_P3";;;;;;;0.6;;-0.8;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM438210;MM438210;CCC1CC1CN(O)C=O;NNSUFZMZDIXNBU-UHFFFAOYSA-N;143.19;0.88;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC3_P3";;;;;;;0.6;;-0.8;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM438211;MM438211;NCCC1C=NN(C=O)C1;SYDUOUZXKDHCBZ-UHFFFAOYSA-N;141.17;-0.59;;;;;DOPC;MDCG;27;1;"MARTINI bead: SP1_SP2";;;;;;;-1.06;;-6.28;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM438212;MM438212;CCC(CC)NC1CC1N;OXMOTYCCBLBHGL-UHFFFAOYSA-N;142.25;0.86;;;;;DOPC;MDCG;27;1;"MARTINI bead: C1_SP3";;;;;;;0.94;;-2.39;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM438213;MM438213;C#CC1C=CC(OC)C1C;MWPHZMNNJYUZAB-UHFFFAOYSA-N;136.19;1.46;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC5_SC5";;;;;;;2.41;;0.64;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM438214;MM438214;C=C(CN)C1OC1C=CC;ONBOVIOPKLNADA-UHFFFAOYSA-N;139.2;0.84;;;;;DOPC;MDCG;27;1;"MARTINI bead: SNa_P1";;;;;;;0.04;;-4.71;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM438215;MM438215;O=CC(CO)=NOCCF;PZDOPGVUYZSJQJ-UHFFFAOYSA-N;149.12;-0.48;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_P1";;;;;;;-1.06;;-3.82;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM438216;MM438216;CCC(CN)NC1CC1N;RVVIJOMPEQSUFJ-UHFFFAOYSA-N;143.23;-0.59;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_SP3";;;;;;;-1.1;;-6.32;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM438217;MM438217;C=NN(C)CC1CC1CC;SQMUWSOLCIYUGQ-UHFFFAOYSA-N;140.23;1.58;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC3_P1";;;;;;;1.74;;0.29;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM438218;MM438218;C=CN1C=NC(CCC)C1;YMIREMSZYDRUKS-UHFFFAOYSA-N;138.21;1.64;;;;;DOPC;MDCG;27;1;"MARTINI bead: SN0_SP1";;;;;;;0.34;;-3.26;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM438219;MM438219;C=CC1C=CC(C=O)C1C;ZOGNZVRPUNEMCR-UHFFFAOYSA-N;136.19;1.81;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC4_SNa";;;;;;;2.2;;0.34;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM438220;MM438220;C=C(CO)C1OC1C=CC;YNSLPDRFDRHBCY-UHFFFAOYSA-N;140.18;0.88;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNa_Nda";;;;;;;0.87;;-1.99;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM438221;MM438221;N#CC(CO)=NOCCF;KJNZODVNHUBNSL-UHFFFAOYSA-N;146.12;-0.16;;;;;DOPC;MDCG;27;0;"MARTINI bead: P3_C5";;;;;;;-0.33;;-2.01;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM438222;MM438222;CCC(CO)NC1CC1N;GRAYWHJRDPTYOZ-UHFFFAOYSA-N;144.22;-0.55;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nda_SP3";;;;;;;-1.1;;-6.07;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM438223;MM438223;CCC1CC1NN(C)C=O;PCXYLBKELPECCQ-UHFFFAOYSA-N;142.2;0.38;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC3_P4";;;;;;;0.52;;-1.59;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM438224;MM438224;C=NN1C=NC(CCC)C1;QZYHSYOMYWKXKG-UHFFFAOYSA-N;139.2;1.11;;;;;DOPC;MDCG;27;0;"MARTINI bead: SN0_SP1";;;;;;;0.34;;-1.53;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM438225;MM438225;C=C(CF)C1OC1C=CC;NUGUQUQGYFJYFP-UHFFFAOYSA-N;142.17;1.86;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNa_Na";;;;;;;0.87;;-2.22;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM438226;MM438226;CC(=O)CN1C(C)C1C;OVPMSEHCIQANKS-UHFFFAOYSA-N;127.19;0.67;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNd_Na";;;;;;;0.87;;-1.88;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM438227;MM438227;C=CC1C=CC(C#N)C1C;TZQAVGXQDYBTHF-UHFFFAOYSA-N;133.19;2.13;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC4_SC5";;;;;;;2.97;;0.45;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM438228;MM438228;NCC(CN)NC1CC1N;LNTMCSAZLZXYLA-UHFFFAOYSA-N;144.22;-2.04;;;;;DOPC;MDCG;27;1;"MARTINI bead: P3_SP3";;;;;;;-3.07;;-8.36;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM438229;MM438229;CCC1CC1ON(C)C=N;FMRWSRRVCCSOPG-UHFFFAOYSA-N;142.2;1.26;;;;;DOPC;MDCG;27;1;"MARTINI bead: SC3_P2";;;;;;;1.46;;-1.4;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM438230;MM438230;CCCC1C=CN(C=O)N1;QUTFGCUIMNETCF-UHFFFAOYSA-N;140.19;0.65;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP1_SP2";;;;;;;-1.06;;-3.82;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM438231;MM438231;N#CC(CF)=NOCCO;MRUDUMGJCSTUPX-UHFFFAOYSA-N;146.12;-0.16;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_Na";;;;;;;-0.24;;-3.24;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM438232;MM438232;CC=CC1OC1C(=O)CC;NTBHAIZPJGGBOA-UHFFFAOYSA-N;140.18;1.31;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_SNa";;;;;;;0.87;;-2.22;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM438233;MM438233;CC1C(C#N)C=CC1C=O;FVXRXFILNFKJHN-UHFFFAOYSA-N;135.17;1.15;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNa_SN0";;;;;;;1.17;;-1.18;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM438234;MM438234;NC1CC1NC(CO)CO;CKJLRAFFFGRTPL-UHFFFAOYSA-N;146.19;-1.97;;;;;DOPC;MDCG;27;1;"MARTINI bead: SP3_P3";;;;;;;-3.07;;-8.01;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM438235;MM438235;CCC1OC1CN(C)C=N;QJCFCUBNAKQFFH-UHFFFAOYSA-N;142.2;0.7;;;;;DOPC;MDCG;27;1;"MARTINI bead: SNa_P2";;;;;;;-0.24;;-7.09;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM438236;MM438236;NCCC1C=CN(C=O)N1;LWGLTIMNZAFBEU-UHFFFAOYSA-N;141.17;-0.81;;;;;DOPC;MDCG;27;1;"MARTINI bead: SP2_SP2";;;;;;;-1.34;;-6.45;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM438237;MM438237;CC1C(C#N)C=CC1C#N;SSFIMBOAIICBOG-UHFFFAOYSA-N;132.17;1.47;;;;;DOPC;MDCG;27;0;"MARTINI bead: SN0_SC5";;;;;;;1.94;;0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM438238;MM438238;CC=CC1OC1C(=N)NN;CIFYTKGQJRPUJI-UHFFFAOYSA-N;141.17;-0.23;;;;;DOPC;MDCG;27;1;"MARTINI bead: SNa_P4";;;;;;;-1.19;;-6.4;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM438239;MM438239;CCC(CC)NC1CC1O;ARBAMVSLGHGJKR-UHFFFAOYSA-N;143.23;0.9;;;;;DOPC;MDCG;27;1;"MARTINI bead: C1_SP2";;;;;;;1.8;;-1.28;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM438240;MM438240;CCC(C#N)=NOCOC;RBDHLMXJZQSDNI-UHFFFAOYSA-N;142.16;0.9;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_P1";;;;;;;0.81;;-0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM438241;MM438241;CCC1OC1CN(N)C=O;HGSHCVMODDFQDP-UHFFFAOYSA-N;144.17;-0.5;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNa_P4";;;;;;;-1.19;;-4.76;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM438242;MM438242;C=CC1CN(CCC)C=N1;UACQJVXQBFMWTQ-UHFFFAOYSA-N;138.21;1.29;;;;;DOPC;MDCG;27;1;"MARTINI bead: SNd_SP1";;;;;;;0.04;;-4.16;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM438243;MM438243;C=CC1C=CC(C=C)C1N;IWSZIVGANHSILK-UHFFFAOYSA-N;135.21;1.49;;;;;DOPC;MDCG;27;1;"MARTINI bead: SNd_SC4";;;;;;;2.2;;-2.38;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM438244;MM438244;CC=CC1OC1C(=O)NC;GWQMALHKBMUHGA-UHFFFAOYSA-N;141.17;0.08;;;;;DOPC;MDCG;27;0;"MARTINI bead: P3_SNa";;;;;;;-1.1;;-4.2;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM438245;MM438245;CCC(CN)NC1CC1O;IPJBQAFPHWIFEK-UHFFFAOYSA-N;144.22;-0.55;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_SP2";;;;;;;-0.24;;-5.37;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM438246;MM438246;C=CC(CN)=NOCOC;VKHUZHWSENHWHE-UHFFFAOYSA-N;144.17;0.11;;;;;DOPC;MDCG;27;1;"MARTINI bead: P2_Nd";;;;;;;-0.24;;-4.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM438247;MM438247;C#CC(C)CC1CC1CC;ABGKGTLOCKTHJS-UHFFFAOYSA-N;136.24;2.69;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC3_C5";;;;;;;3.34;;0.48;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM438248;MM438248;C=CC1C=CC(NC=N)C1;LEHAMFMQTOJTPC-UHFFFAOYSA-N;136.2;1.31;;;;;DOPC;MDCG;27;1;"MARTINI bead: SC4_SNd";;;;;;;2.2;;-3.17;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM438249;MM438249;COCON=C(C=O)CO;CXKGSICZCWGPOU-UHFFFAOYSA-N;147.13;-0.85;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_P2";;;;;;;-1.06;;-3.82;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM438250;MM438250;C#CC1=CC(=CC=O)NN1;RKIWYZSKYOMFMK-UHFFFAOYSA-N;134.14;-0.31;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP2_SP2";;;;;;;-1.34;;-4.31;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM438251;MM438251;C=CC1C=CC(C=C)N1C;KJDUGPABDYIUPH-UHFFFAOYSA-N;135.21;1.6;;;;;DOPC;MDCG;27;1;"MARTINI bead: SNd_SN0";;;;;;;1.17;;-2.13;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM438252;MM438252;NCC(CN)NC1CC1O;UWOKFCYKUUTGAZ-UHFFFAOYSA-N;145.21;-2;;;;;DOPC;MDCG;27;1;"MARTINI bead: P3_SP2";;;;;;;-2.2;;-7.19;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM438253;MM438253;C=CCC1C=CC(C=C)N1;IJIJFBHZMYQCSI-UHFFFAOYSA-N;135.21;1.65;;;;;DOPC;MDCG;27;1;"MARTINI bead: SN0_SNd";;;;;;;1.17;;-3.81;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM438254;MM438254;C#CC(N)CC1CC1CC;WWHKRVRJZMBXIC-UHFFFAOYSA-N;137.23;1.38;;;;;DOPC;MDCG;27;1;"MARTINI bead: SC3_P1";;;;;;;1.74;;-1.16;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM438255;MM438255;C=C(OC)C1OC1C=CC;UOTKUODHHSVGHI-UHFFFAOYSA-N;140.18;1.49;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_SNa";;;;;;;0.87;;-2.22;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM438256;MM438256;C=CC(CF)=NOCOC;LXRSUJMOCUFKQM-UHFFFAOYSA-N;147.15;1.12;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_C5";;;;;;;0.54;;-1.09;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM438257;MM438257;CN1C(C#N)C=CC1C#N;DPIOCOHOXKXDTO-UHFFFAOYSA-N;133.15;0.27;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP1_SNd";;;;;;;0.04;;-2.63;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM438258;MM438258;CCC(CN)NC1CC1F;PJXQUVRHYAXMJV-UHFFFAOYSA-N;146.21;0.42;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_SP1";;;;;;;0.04;;-4.66;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM438259;MM438259;C#CC(N)CC1CC1CN;MKCSXBVFPUCHGG-UHFFFAOYSA-N;138.21;-0.07;;;;;DOPC;MDCG;27;1;"MARTINI bead: SNd_P2";;;;;;;-0.24;;-5.98;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM438260;MM438260;N=CN1C=CC(CC=O)C1;UZWUTWCCEKDHHW-UHFFFAOYSA-N;138.17;0.63;;;;;DOPC;MDCG;27;1;"MARTINI bead: SP1_SP1";;;;;;;-0.79;;-6.7;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM438261;MM438261;C=C(OC)C1OC1C=NN;QBYMCNCSZGMOQU-UHFFFAOYSA-N;142.16;-0.14;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_SP2";;;;;;;-0.24;;-3.24;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM438262;MM438262;C=CC(=C)OC=NNC;HTAJBMFYDJWRDO-UHFFFAOYSA-N;126.16;0.87;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_C4";;;;;;;1.09;;-0.38;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM438263;MM438263;C=CC1C=CN(C=N)C1C;YJKWQYJANYAWPX-UHFFFAOYSA-N;136.2;1.61;;;;;DOPC;MDCG;27;1;"MARTINI bead: SN0_SNd";;;;;;;1.17;;-4.27;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM438264;MM438264;NCC(CN)NC1CC1F;WEQFSTBUXGUZII-UHFFFAOYSA-N;147.2;-1.03;;;;;DOPC;MDCG;27;1;"MARTINI bead: P3_SP1";;;;;;;-1.93;;-6.66;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM438265;MM438265;C#CC(F)CC1CC1CC;YLNASMGGPVCOPP-UHFFFAOYSA-N;140.2;2.39;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC3_C5";;;;;;;3.34;;0.48;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM438266;MM438266;O=CCC1C=CN(C=O)C1;SPBXJBYFSFGHRU-UHFFFAOYSA-N;139.15;0.18;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP1_SP1";;;;;;;-0.79;;-3.13;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM438267;MM438267;COC(C=O)=NOCCO;YYBGNUFXDWMIOO-UHFFFAOYSA-N;147.13;-0.85;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_P1";;;;;;;-1.06;;-3.82;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM438268;MM438268;C=C(CC)C1CN1N=CC;IYKUONBEHOFCCA-UHFFFAOYSA-N;138.21;1.64;;;;;DOPC;MDCG;27;0;"MARTINI bead: C3_SP1";;;;;;;1.74;;0.29;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM438269;MM438269;C=CC1C=CN(C=O)C1C;IYNHYTZDHSFGMI-UHFFFAOYSA-N;137.18;1.16;;;;;DOPC;MDCG;27;0;"MARTINI bead: SN0_SNda";;;;;;;1.17;;-1.13;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM438270;MM438270;NCC(CF)NC1CC1F;WPUZWIUYGXJTKT-UHFFFAOYSA-N;150.17;-0.02;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1_SP1";;;;;;;-0.79;;-5.05;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM438271;MM438271;C#CC(C)CC1CC1NC;NGRSIXGTKIGERW-UHFFFAOYSA-N;137.23;1.25;;;;;DOPC;MDCG;27;1;"MARTINI bead: SNd_C4";;;;;;;2.2;;-2.21;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM438272;MM438272;N#CCC1C=CN(C=O)C1;YGKKOIHSVRJFBJ-UHFFFAOYSA-N;136.15;0.5;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP1_SN0";;;;;;;0.34;;-1.53;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM438273;MM438273;C=C(CN)C1CN1N=CC;JFVUPWHPJYDLPE-UHFFFAOYSA-N;139.2;0.19;;;;;DOPC;MDCG;27;1;"MARTINI bead: SP1_P1";;;;;;;-0.79;;-5.04;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM438274;MM438274;COC(C=O)=NOCCF;VJJSJSLWJLCURC-UHFFFAOYSA-N;149.12;0.13;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_Na";;;;;;;-0.24;;-3.24;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM438275;MM438275;CCC(CC)OC1CC1C;KPJWZBWKNPTCLZ-UHFFFAOYSA-N;142.24;2.6;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1_SNa";;;;;;;2.91;;0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM438276;MM438276;CC1C(C=O)C=CN1C=N;MJVNVMQKJYBUBR-UHFFFAOYSA-N;138.17;0.63;;;;;DOPC;MDCG;27;1;"MARTINI bead: SP2_SNd";;;;;;;-0.24;;-6.27;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM438277;MM438277;C#CC(C)NC1CC1CC;QNVADQBCDXQDOF-UHFFFAOYSA-N;137.23;1.4;;;;;DOPC;MDCG;27;1;"MARTINI bead: SC3_P1";;;;;;;1.74;;-1.09;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM438278;MM438278;N#CCC1C=NN(C=N)C1;JRHXYXNCVCXSNC-UHFFFAOYSA-N;136.16;0.42;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP2_SP1";;;;;;;-1.06;;-3.82;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM438279;MM438279;CC#CC(=O)CCN1CC1;OEHMOKVOKASPGF-UHFFFAOYSA-N;137.18;0.28;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_SP1";;;;;;;0.04;;-2.54;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM438280;MM438280;C=CC(=NOCOC)OC;QJAGNFOTETYOHD-UHFFFAOYSA-N;145.16;0.75;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_N0";;;;;;;0.34;;-1.53;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM438281;MM438281;CC1C(C#N)C=CN1C=N;CSZDAJFOYVRVAN-UHFFFAOYSA-N;135.17;0.95;;;;;DOPC;MDCG;27;1;"MARTINI bead: SP1_SNd";;;;;;;0.04;;-5.54;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM438282;MM438282;CCC(CN)OC1CC1C;RBXGAUSPEJFWNU-UHFFFAOYSA-N;143.23;1.15;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_SNa";;;;;;;0.87;;-3.96;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM438283;MM438283;C#CC(C)CC1OC1CN;AQZOCWQEGZTBMK-UHFFFAOYSA-N;139.2;0.37;;;;;DOPC;MDCG;27;1;"MARTINI bead: C4_SP2";;;;;;;1.09;;-2.33;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM438284;MM438284;C=CCC1C=NN(C=O)C1;PJIALOWNILPIOV-UHFFFAOYSA-N;138.17;0.64;;;;;DOPC;MDCG;27;0;"MARTINI bead: SN0_SP2";;;;;;;0.06;;-2.21;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM438285;MM438285;CC=NN1CC1C(=N)NN;DGNUYBWIVKJROH-UHFFFAOYSA-N;141.18;-0.88;;;;;DOPC;MDCG;27;1;"MARTINI bead: SP1_P4";;;;;;;-2.01;;-6.57;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM438286;MM438286;C=CCCC=C(C=C)CC;QWLBPUXZSYSUAE-UHFFFAOYSA-N;136.24;3.48;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1_C3";;;;;;;4.61;;0.31;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM438287;MM438287;CCC(CO)OC1CC1C;QFCWMGYPQLENJB-UHFFFAOYSA-N;144.21;1.18;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda_SNa";;;;;;;0.87;;-1.99;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM438288;MM438288;CC1C(C=O)C=CN1C=O;JKSUMXTZTCCREB-UHFFFAOYSA-N;139.15;0.18;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP2_SNda";;;;;;;-0.24;;-3.31;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM438289;MM438289;C#CC(O)CC1OC1CC;AWAITKPJMCPQMI-UHFFFAOYSA-N;140.18;0.55;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNa_P2";;;;;;;-0.24;;-3.24;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM438290;MM438290;N#CCC1C=NN(C=O)C1;SVAVCTLHYAVUPA-UHFFFAOYSA-N;137.14;-0.03;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP2_SP1";;;;;;;-1.06;;-3.82;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM438291;MM438291;CC=CC1CN1C(=N)CC;YCGKDMMCSUOGOQ-UHFFFAOYSA-N;138.21;1.63;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1_SN0";;;;;;;0.34;;-4.98;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM438292;MM438292;CC1CC1OC(CN)CN;ZZYFLGIAAHTCDX-UHFFFAOYSA-N;144.22;-0.3;;;;;DOPC;MDCG;27;1;"MARTINI bead: SNa_P3";;;;;;;-1.1;;-6.21;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM438293;MM438293;C=CC(=CCCC=O)CC;JJXYXUQFOQDTEG-UHFFFAOYSA-N;138.21;2.49;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1_Na";;;;;;;2.91;;0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM438294;MM438294;C=CC1C=NN(C=N)C1C;RJJWZXWQVSYFTB-UHFFFAOYSA-N;137.19;1.09;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP1_SP1";;;;;;;-0.79;;-3.13;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM438295;MM438295;COC(CCC(F)F)=NN;HFQLMPLDBILVQC-UHFFFAOYSA-N;152.14;0.95;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_C5";;;;;;;0.81;;-0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM438296;MM438296;C=CN1C=NC(CC#N)C1;AFEFAEFSHMKWGF-UHFFFAOYSA-N;135.17;0.76;;;;;DOPC;MDCG;27;1;"MARTINI bead: SP1_SP1";;;;;;;-0.79;;-4.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM438297;MM438297;CC=CC1CN1C(=O)CF;DNAJXJGUKKANDX-UHFFFAOYSA-N;143.16;0.74;;;;;DOPC;MDCG;27;0;"MARTINI bead: SN0_P2";;;;;;;0.06;;-2.21;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM438298;MM438298;CC1CC1OC(CN)CO;TWCFTSXBWMCBSF-UHFFFAOYSA-N;145.2;-0.27;;;;;DOPC;MDCG;27;1;"MARTINI bead: SNa_P2";;;;;;;-0.24;;-4.94;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM438299;MM438299;C=CC(=CCCC#N)CC;JXJFQCOGTDSXCK-UHFFFAOYSA-N;135.21;2.81;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1_P1";;;;;;;2.08;;0.48;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM438300;MM438300;C=CC1C=NN(C=O)C1C;OOJGCJZBYWIFAJ-UHFFFAOYSA-N;138.17;0.63;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP1_SP1";;;;;;;-0.79;;-3.13;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM438301;MM438301;C=CC1CC1CC(C)CF;JYLPLIKZLDGTDU-UHFFFAOYSA-N;142.22;2.8;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4_SC4";;;;;;;3.53;;0.53;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM438302;MM438302;C=CC(=C)C1CC1C=CC;VPUQNJYJGPRJEL-UHFFFAOYSA-N;134.22;2.94;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC3_C3";;;;;;;4.27;;0.2;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM438303;MM438303;N#CCC1CN(C=O)C=N1;ZICXXBWMEPEFCY-UHFFFAOYSA-N;137.14;-0.23;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP2_SP1";;;;;;;-1.06;;-3.82;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM438304;MM438304;CCC(CC)OC1CC1N;PWKWGTBBGXBRDF-UHFFFAOYSA-N;143.23;1.29;;;;;DOPC;MDCG;27;1;"MARTINI bead: C1_SP2";;;;;;;1.8;;-0.74;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM438305;MM438305;C=CCCC=C(C=O)CC;ZLPSMJHJUGPVMG-UHFFFAOYSA-N;138.21;2.49;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_C3";;;;;;;2.57;;0.45;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM438306;MM438306;C=CC1N=CN(C=O)C1C;UKTFJSOXFZMUKZ-UHFFFAOYSA-N;138.17;0.43;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP1_SP2";;;;;;;-1.06;;-3.82;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM438307;MM438307;C=CCC1CN(N=C)C=N1;MSUBRSGRUYCIGP-UHFFFAOYSA-N;137.19;0.89;;;;;DOPC;MDCG;27;0;"MARTINI bead: SN0_SP1";;;;;;;0.34;;-1.53;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM438308;MM438308;C=C(C=O)C1CC1C=CC;SBVNLCRBQCEFTR-UHFFFAOYSA-N;136.19;1.95;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC3_Na";;;;;;;2.57;;0.45;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM438309;MM438309;CCC(C)CC1CC1C#N;TWIHDLKKFCZXLN-UHFFFAOYSA-N;137.23;2.58;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1_SN0";;;;;;;3.21;;0.46;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM438310;MM438310;CC(C=NN=CN)=CC=O;RUYJDGZIAWUNGE-UHFFFAOYSA-N;139.16;0.1;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_Nd";;;;;;;0.87;;-1.88;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM438311;MM438311;CCC(C=O)=CCCC=O;WZWPVJWFBFMIEX-UHFFFAOYSA-N;140.18;1.5;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_C5";;;;;;;2.41;;0.64;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM438312;MM438312;CCC(CO)OC1CC1N;CBISEJASNDWLHB-UHFFFAOYSA-N;145.2;-0.13;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nda_SP2";;;;;;;-0.24;;-5.15;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM438313;MM438313;C=C(C#N)C1CC1C=CC;CNWYUIVTQRYPKH-UHFFFAOYSA-N;133.19;2.28;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC3_N0";;;;;;;2.87;;0.37;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM438314;MM438314;CC(CF)CC1CC1C#N;AHLKOMBGIMMEEP-UHFFFAOYSA-N;141.19;2.14;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4_SN0";;;;;;;2.5;;0.44;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM438315;MM438315;C=NN1C=NC(CC#N)C1;WDHNVOZQJTVKDU-UHFFFAOYSA-N;136.16;0.23;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP1_SP1";;;;;;;-0.79;;-3.13;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM438316;MM438316;C=CC1N=CN(N=C)C1C;ZPUXJNXDYLZTPE-UHFFFAOYSA-N;137.19;0.89;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP1_SP1";;;;;;;-0.79;;-3.13;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM438317;MM438317;CCC(C#N)=CCCC=O;OYOCKLHDHUWFMF-UHFFFAOYSA-N;137.18;1.83;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_Na";;;;;;;1.64;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM438318;MM438318;NCC(CN)OC1CC1N;WPQLWSKXRBFNIE-UHFFFAOYSA-N;145.21;-1.61;;;;;DOPC;MDCG;27;1;"MARTINI bead: P3_SP2";;;;;;;-2.2;;-7.4;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM438319;MM438319;CC=CC1CC1C(=O)C=O;YXUCKVICYUOAPN-UHFFFAOYSA-N;138.17;0.97;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC3_P1";;;;;;;1.74;;0.29;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM438320;MM438320;C=CC1CC1CC(N)CN;OJMKDYVYSOLBOE-UHFFFAOYSA-N;140.23;0.48;;;;;DOPC;MDCG;27;1;"MARTINI bead: P4_SC4";;;;;;;0.15;;-4.48;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM438321;MM438321;N#CCC1C=CN(C=N)N1;XILHMHOCQQESLA-UHFFFAOYSA-N;136.16;0.21;;;;;DOPC;MDCG;27;1;"MARTINI bead: SP3_SP1";;;;;;;-1.93;;-7.08;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM438322;MM438322;C=CC1C=CN(C=O)N1C;WYVYAMLQIGCTDR-UHFFFAOYSA-N;138.17;0.37;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP2_SP2";;;;;;;-1.34;;-4.31;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM438323;MM438323;CC=CC1CC1C(=O)C#N;XNVARQPCWTZJCT-UHFFFAOYSA-N;135.17;1.29;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC3_P1";;;;;;;1.74;;0.29;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM438324;MM438324;CCC(CC)OC1CC1O;HJMUFMQOGDGVAB-UHFFFAOYSA-N;144.21;1.32;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1_SP2";;;;;;;1.8;;0.4;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM438325;MM438325;CCC(C#N)=CCCC#N;VOJNTEHDCKABIJ-UHFFFAOYSA-N;134.18;2.15;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_P1";;;;;;;0.81;;-0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM438326;MM438326;C=CCC1C=CN(C=O)N1;QBCBWAUPPOLJQO-UHFFFAOYSA-N;138.17;0.42;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP1_SP2";;;;;;;-1.06;;-3.82;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM438327;MM438327;C=CC1CC1CC(N)CO;AIQBMXYIELTTAA-UHFFFAOYSA-N;141.21;0.52;;;;;DOPC;MDCG;27;1;"MARTINI bead: P3_SC4";;;;;;;0.23;;-3.41;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM438328;MM438328;C#CC1C=CC(C=C)C1C;JOQLPSJXCLBXCS-UHFFFAOYSA-N;132.21;2.24;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC4_SC5";;;;;;;2.97;;0.45;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM438329;MM438329;C=CC(=C)C1CC1C=NN;IWMTYACTZPJNRK-UHFFFAOYSA-N;136.2;1.31;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNd_C3";;;;;;;2.57;;0.53;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM438330;MM438330;CCC(CN)OC1CC1O;FOCGEEIDJUDVBX-UHFFFAOYSA-N;145.2;-0.13;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_SP2";;;;;;;-0.24;;-5.23;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM438331;MM438331;C=CCCC=C(C=C)CN;QUFJVMXKYLBQOC-UHFFFAOYSA-N;137.23;2.02;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_C3";;;;;;;2.57;;-0.93;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM438332;MM438332;N#CCC1C=CN(C=O)N1;LBMRTQRBOPJGHC-UHFFFAOYSA-N;137.14;-0.24;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP2_SP1";;;;;;;-1.06;;-3.82;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM438333;MM438333;C=CC1CC1CC(N)CF;OELFNKIBDCPMNJ-UHFFFAOYSA-N;143.21;1.5;;;;;DOPC;MDCG;27;1;"MARTINI bead: P2_SC4";;;;;;;1.09;;-2.08;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM438334;MM438334;C#CC1C=CC(C=O)C1C;ITIGOELOVACMOJ-UHFFFAOYSA-N;134.18;1.26;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNa_SC5";;;;;;;1.64;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM438335;MM438335;C=C(C#N)C1NC1C=CC;OCZDJWSTYYDILP-UHFFFAOYSA-N;134.18;0.98;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNd_N0";;;;;;;1.17;;-1.04;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM438336;MM438336;C=CCCC=C(C=C)CO;NGRPERVFYBCSQH-UHFFFAOYSA-N;138.21;2.06;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda_C3";;;;;;;2.57;;0.44;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM438337;MM438337;CCC(CO)OC1CC1O;YBXMMGAHMROHIT-UHFFFAOYSA-N;146.19;-0.09;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda_SP2";;;;;;;-0.24;;-3.31;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM438338;MM438338;C=CCN1C=NC(C=C)C1;UXKCMFLOORAPBZ-UHFFFAOYSA-N;136.2;1.07;;;;;DOPC;MDCG;27;1;"MARTINI bead: SNd_SP1";;;;;;;0.04;;-3.66;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM438339;MM438339;CCC(=NN)OCC(C)F;OCJHXIDWVSFMSF-UHFFFAOYSA-N;148.18;1.04;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_C5";;;;;;;0.81;;-0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM438340;MM438340;C#CC1C=CC(C#N)C1C;ZQJLZTILSIKGCX-UHFFFAOYSA-N;131.18;1.58;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC5_SC5";;;;;;;2.41;;0.64;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM438341;MM438341;C=CC(=CCCC=O)CO;WQEYMBKQLZCDSJ-UHFFFAOYSA-N;140.18;1.07;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda_Na";;;;;;;0.87;;-1.99;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM438342;MM438342;C=C(C=NN1CC1)C(C)=O;CAVGNSHFIWIVTQ-UHFFFAOYSA-N;138.17;0.43;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_SP3";;;;;;;-1.1;;-4.2;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM438343;MM438343;NCC(CN)OC1CC1O;DIBRQXCEIQWTHN-UHFFFAOYSA-N;146.19;-1.58;;;;;DOPC;MDCG;27;1;"MARTINI bead: P3_SP2";;;;;;;-2.2;;-7.2;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM438344;MM438344;Cn1oc(=NN)c(N)c1F;PJSWFPXUEXGPRX-UHFFFAOYSA-N;146.13;-0.89;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP2_SNda";;;;;;;-0.24;;-3.31;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM438345;MM438345;N#CC1CC1CC(F)CF;UZRMHPDSIZGEIJ-UHFFFAOYSA-N;145.15;1.84;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_SN0";;;;;;;1.17;;-1.18;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM438346;MM438346;C#CC1C=CC(C#N)N1C;AERULEHZMILCSJ-UHFFFAOYSA-N;132.17;0.38;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP1_SNd";;;;;;;0.04;;-2.63;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM438347;MM438347;N#CC(=CCCC=O)CO;LBKJMMPCSRBFLO-UHFFFAOYSA-N;139.15;0.41;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_Na";;;;;;;0.04;;-2.54;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM438348;MM438348;CCC(OC)OC1CC1C;ZWDLKDXAGRYPEF-UHFFFAOYSA-N;144.21;1.79;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_SNa";;;;;;;0.87;;-2.22;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM438349;MM438349;N#CCN1C=NC(C#N)C1;QBQLZOYRSCDNPG-UHFFFAOYSA-N;134.14;-0.25;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP1_SP2";;;;;;;-1.06;;-3.82;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM438350;MM438350;CCC#CCNN=CCF;OALIJJUQUGMWKR-UHFFFAOYSA-N;142.18;0.94;;;;;DOPC;MDCG;27;0;"MARTINI bead: C3_P1";;;;;;;1.74;;0.29;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM438351;MM438351;CNC(C)CC1CC1C#N;LZKNZZIZCOQCIL-UHFFFAOYSA-N;138.21;1.14;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_SN0";;;;;;;1.17;;-4.23;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM438352;MM438352;C#CC1C=CN(C=N)C1C;UDFUALBMVDIPHL-UHFFFAOYSA-N;134.18;1.06;;;;;DOPC;MDCG;27;1;"MARTINI bead: SP1_SNd";;;;;;;0.04;;-5.6;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM438353;MM438353;N#CCCC=C(C#N)CO;VMPSAMJGGKOJOY-UHFFFAOYSA-N;136.15;0.73;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda_P2";;;;;;;-0.24;;-3.31;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM438354;MM438354;C=CCN1CC(C=C)C=N1;JKANWXHUODXDTH-UHFFFAOYSA-N;136.2;1.28;;;;;DOPC;MDCG;27;0;"MARTINI bead: SN0_SP1";;;;;;;0.34;;-1.53;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM438355;MM438355;COC(CF)OC1CC1C;JDORVTYYUBQZKW-UHFFFAOYSA-N;148.18;1.35;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_SNa";;;;;;;0.87;;-2.22;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM438356;MM438356;C=CC1CC1CC(C)OC;VPSSHZBZDNWRTJ-UHFFFAOYSA-N;140.23;2.23;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_SC4";;;;;;;2.2;;0.34;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM438357;MM438357;CC=CC1OC1C(=O)C=O;FKQRPUBKAMIKLS-UHFFFAOYSA-N;140.14;0.1;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNa_Na";;;;;;;0.87;;-2.22;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM438358;MM438358;C#CC1C=CN(C=O)C1C;BOVYUJVNJCWXNP-UHFFFAOYSA-N;135.17;0.61;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP1_SNda";;;;;;;0.04;;-2.73;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM438359;MM438359;C=CCCC=C(C=C)CF;KBPXXPJMVBHCQS-UHFFFAOYSA-N;140.2;3.03;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4_C3";;;;;;;3.9;;0.47;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM438360;MM438360;C=CC1C=NN(CC#N)C1;OBYMKBPFLZRARN-UHFFFAOYSA-N;135.17;0.61;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP1_SP1";;;;;;;-0.79;;-3.13;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM438361;MM438361;CCC(OC)OC1CC1N;YUVHAVGYSZPSOM-UHFFFAOYSA-N;145.2;0.49;;;;;DOPC;MDCG;27;1;"MARTINI bead: Na_SP2";;;;;;;-0.24;;-5.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM438362;MM438362;CCN(C)CC1CC1C#N;SZNOEDWYJBKRKH-UHFFFAOYSA-N;138.21;1.1;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_SN0";;;;;;;1.17;;-2.66;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM438363;MM438363;C=C(C#N)C1CN1N=CC;XSRTVOQRFVHEDU-UHFFFAOYSA-N;135.17;0.76;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP1_N0";;;;;;;0.34;;-1.53;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM438364;MM438364;C#CC1C=NN(C=N)C1C;JPXWOYLDHVJOLK-UHFFFAOYSA-N;135.17;0.53;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP1_SP1";;;;;;;-0.79;;-3.13;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM438365;MM438365;C=CC(=CCCC=O)CF;UJDXYELBQIEHFC-UHFFFAOYSA-N;142.17;2.05;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4_Na";;;;;;;2.2;;0.34;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM438366;MM438366;NN=c1on(N)c(F)c1N;YZVKGCCHLOJLBB-UHFFFAOYSA-N;147.11;-1.71;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP2_SNda";;;;;;;-0.24;;-3.31;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM438367;MM438367;COC(CO)OC1CC1N;ZIWGUROXBUKBDO-UHFFFAOYSA-N;147.17;-0.93;;;;;DOPC;MDCG;27;1;"MARTINI bead: P2_SP2";;;;;;;-1.34;;-6.13;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM438368;MM438368;CCC(=NN)OCC(F)F;VDNSDCUJGSSLMJ-UHFFFAOYSA-N;152.14;0.95;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda_N0";;;;;;;1.17;;-1.13;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM438369;MM438369;C=CC#CCNN=CCF;AVNQVAMHJKZGKP-UHFFFAOYSA-N;140.16;0.72;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_C4";;;;;;;1.37;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM438370;MM438370;C#CC1C=CC(C#C)C1C;WZUUIDYNZUOEMV-UHFFFAOYSA-N;130.19;1.69;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC5_SC5";;;;;;;2.41;;0.64;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM438371;MM438371;CCC1CC2C(C)C2(O)C1;GUROQSUBFUXCFD-UHFFFAOYSA-N;140.23;1.8;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC1_SNda";;;;;;;2.91;;0.57;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM438372;MM438372;C=CC(=CCCC#N)CF;SIJHPVKAKPMVNT-UHFFFAOYSA-N;139.17;2.37;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4_P1";;;;;;;1.37;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM438373;MM438373;CCC(OC)OC1CC1O;CLVLJYYKDJOCBE-UHFFFAOYSA-N;146.19;0.52;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_SP2";;;;;;;-0.24;;-3.24;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM438374;MM438374;CCC(C)CC1NC1C#N;MYJXSMCTNGJOIT-UHFFFAOYSA-N;138.21;1.29;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1_SP2";;;;;;;1.8;;0.4;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM438375;MM438375;C=CC(=O)N1CC1C=CC;DFZOBRCTHYEDJD-UHFFFAOYSA-N;137.18;0.96;;;;;DOPC;MDCG;27;0;"MARTINI bead: SN0_P2";;;;;;;0.06;;-2.21;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM438376;MM438376;C#CC1C=CC(C#C)C1N;DHUYCAZBJAKQBY-UHFFFAOYSA-N;131.18;0.38;;;;;DOPC;MDCG;27;1;"MARTINI bead: SC5_SNd";;;;;;;1.64;;-2.25;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM438377;MM438377;C=CCCC=C(C#N)CF;UMPOKSKVNXJOHP-UHFFFAOYSA-N;139.17;2.37;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_C3";;;;;;;2.57;;0.45;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM438378;MM438378;C#CCC1C=CC(C=C)C1;IHVZDLGYQMGWRG-UHFFFAOYSA-N;132.21;2.39;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC4_SC4";;;;;;;3.53;;0.53;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM438379;MM438379;COC(CO)OC1CC1O;UCYZCWAMJQYVRN-UHFFFAOYSA-N;148.16;-0.9;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_SP2";;;;;;;-1.34;;-4.31;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM438380;MM438380;C=CC1NC1CC(N)CN;LWLRXXLWJIGXRO-UHFFFAOYSA-N;141.22;-0.81;;;;;DOPC;MDCG;27;1;"MARTINI bead: P4_SP1";;;;;;;-2.01;;-7.3;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM438381;MM438381;C#CC(=C)C1CC1C=CC;BELDXNMFQDJVSA-UHFFFAOYSA-N;132.21;2.39;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC3_C5";;;;;;;3.34;;0.48;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM438382;MM438382;C=C1C(CC)C=CC1CC;GTRHYBPZFSKKOX-UHFFFAOYSA-N;136.24;3.16;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC2_SC1";;;;;;;4.87;;0.53;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM438383;MM438383;C#CCC1C=CC(C=O)C1;XAQFOPBFAOMQEX-UHFFFAOYSA-N;134.18;1.4;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNa_SC4";;;;;;;2.2;;0.34;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM438384;MM438384;CCN(CC)CC1CC1C;NJDXPPPVLZHSMJ-UHFFFAOYSA-N;141.26;1.98;;;;;DOPC;MDCG;27;1;"MARTINI bead: C5_SC5";;;;;;;2.41;;-0.68;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM438385;MM438385;C=CC1NC1CC(N)CF;AQNPMPCLODVLAU-UHFFFAOYSA-N;144.19;0.2;;;;;DOPC;MDCG;27;1;"MARTINI bead: P2_SP1";;;;;;;-1.06;;-5.24;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM438386;MM438386;O=CCCC=C(C=O)CF;NFKTUXJRROJPRM-UHFFFAOYSA-N;144.15;1.06;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_Na";;;;;;;0.87;;-2.22;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM438387;MM438387;C#CC(=O)C1CC1C=CC;RCGXCYFUAUXJKM-UHFFFAOYSA-N;134.18;1.4;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC3_Na";;;;;;;2.57;;0.45;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM438388;MM438388;C=C1C(CC)C=CC1CN;BMGMDJCJGMOAKW-UHFFFAOYSA-N;137.23;1.71;;;;;DOPC;MDCG;27;1;"MARTINI bead: SC1_SNd";;;;;;;2.91;;-0.5;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM438389;MM438389;C#CCC1C=CC(C=C)N1;YOKJQCRJRIDURJ-UHFFFAOYSA-N;133.19;1.09;;;;;DOPC;MDCG;27;1;"MARTINI bead: SNd_SP1";;;;;;;0.04;;-4.96;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM438390;MM438390;CCN(CC)CC1CC1N;OBAWWJMWJWVYEX-UHFFFAOYSA-N;142.25;0.68;;;;;DOPC;MDCG;27;1;"MARTINI bead: C5_SP1";;;;;;;0.81;;-3.27;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM438391;MM438391;C=CC(=NN)OCC(C)F;XJSDXVVIRGYQOH-UHFFFAOYSA-N;146.17;0.82;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_Nda";;;;;;;1.64;;0.05;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM438392;MM438392;N#CC(=CCCC=O)CF;KEVBMDXFBCOJHE-UHFFFAOYSA-N;141.15;1.38;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_Na";;;;;;;0.87;;-2.22;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM438393;MM438393;C#CC(=C)C1NC1C=CC;MTMZCNUYVCVCCJ-UHFFFAOYSA-N;133.19;1.09;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNd_N0";;;;;;;1.17;;-1.04;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM438394;MM438394;C=CCn1cc(N)c(N)n1;ZQLVIBVHRGSSNP-UHFFFAOYSA-N;138.17;0.23;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNa_SP2";;;;;;;-0.24;;-3.24;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM438395;MM438395;CCN(CC)CC1CC1O;NUZFFGLFDANMAU-UHFFFAOYSA-N;143.23;0.71;;;;;DOPC;MDCG;27;1;"MARTINI bead: C5_SP1";;;;;;;0.81;;-2.88;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM438396;MM438396;C#CCC1C=CC(C=O)N1;MVNVUKKLDVJJJI-UHFFFAOYSA-N;135.17;0.11;;;;;DOPC;MDCG;27;1;"MARTINI bead: SP2_SP1";;;;;;;-1.06;;-4.89;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM438397;MM438397;N#CCCC=C(C=O)CF;VIYVCAWTLMOGFL-UHFFFAOYSA-N;141.15;1.38;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_Na";;;;;;;0.87;;-2.22;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM438398;MM438398;C=CC(=NN)OCC(F)F;JHCRDHIGNYOGSK-UHFFFAOYSA-N;150.13;0.73;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda_N0";;;;;;;1.17;;-1.13;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM438399;MM438399;NN=CC#CC#CC1CO1;RFMVLXXTZHOQEC-UHFFFAOYSA-N;134.14;-0.66;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nd_SNa";;;;;;;0.87;;-1.88;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM438400;MM438400;C=C1C(CN)C=CC1CN;RNPQPWNKIAISST-UHFFFAOYSA-N;138.21;0.26;;;;;DOPC;MDCG;27;1;"MARTINI bead: SNd_SNd";;;;;;;0.87;;-5.14;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM438401;MM438401;CCN(CC)CC1CC1F;RQJIMUJBFLIQTI-UHFFFAOYSA-N;145.22;1.69;;;;;DOPC;MDCG;27;1;"MARTINI bead: C5_SNa";;;;;;;1.64;;-2.37;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM438402;MM438402;C#CCC1C=CN(C=N)C1;ACOZAWDLNPDAKG-UHFFFAOYSA-N;134.18;1.06;;;;;DOPC;MDCG;27;1;"MARTINI bead: SP1_SN0";;;;;;;0.34;;-5.09;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM438403;MM438403;CNC(C)CC1NC1C#N;HZVIQGJSVFNTMW-UHFFFAOYSA-N;139.2;-0.15;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_SP2";;;;;;;-0.24;;-5.97;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM438404;MM438404;C=CC(=CCNC=N)CC;LZDOGAHSVPWLBU-UHFFFAOYSA-N;138.21;1.71;;;;;DOPC;MDCG;27;1;"MARTINI bead: C1_P3";;;;;;;0.94;;-3.6;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM438405;MM438405;C#CC(=C)C1OC1C=CC;PCLFAACLZUKDMI-UHFFFAOYSA-N;134.18;1.52;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNa_N0";;;;;;;1.17;;-1.18;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM438406;MM438406;C=C1C(CC)C=CC1NC;VLHGGMSDKQDRKZ-UHFFFAOYSA-N;137.23;1.73;;;;;DOPC;MDCG;27;1;"MARTINI bead: SC2_SNd";;;;;;;2.83;;0.17;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM438408;MM438408;CCC(CN)CC1NC1C;VNLIAFVMZPVTST-UHFFFAOYSA-N;142.25;0.72;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_SP1";;;;;;;0.04;;-5.44;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM438407;MM438407;C#CCC1C=NN(C=N)C1;FQRAFRMEUZFMCX-UHFFFAOYSA-N;135.17;0.53;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP2_SP1";;;;;;;-1.06;;-3.82;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM438409;MM438409;C=CC1(C)C(=O)CN1C;JYSYFVGLDCCNMH-UHFFFAOYSA-N;125.17;0.45;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP2_SP1";;;;;;;-1.06;;-3.82;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM438410;MM438410;COC(C)CC1NC1C#N;SHDSCJPQSRHZNV-UHFFFAOYSA-N;140.19;0.28;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_SP2";;;;;;;-0.24;;-3.24;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM438411;MM438411;C#CC(=O)C1OC1C=CC;KWBVBZSUTLEMSU-UHFFFAOYSA-N;136.15;0.53;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNa_P1";;;;;;;0.04;;-2.54;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM438412;MM438412;C=C1C(CN)C=CC1NC;JDIURFJJXPISJJ-UHFFFAOYSA-N;138.21;0.28;;;;;DOPC;MDCG;27;1;"MARTINI bead: SNd_SNd";;;;;;;0.87;;-4.89;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM438413;MM438413;C#CCC1CN(C=C)C=N1;YEBVHZVPALILHA-UHFFFAOYSA-N;134.18;0.87;;;;;DOPC;MDCG;27;1;"MARTINI bead: SP1_SP1";;;;;;;-0.79;;-4.57;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM438414;MM438414;C#CC(=O)CN1CC1C;XKSHAZLDQMAWTF-UHFFFAOYSA-N;123.16;-0.11;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNd_P1";;;;;;;0.04;;-2.63;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM438415;MM438415;CC1NC1CC(CN)CN;XZMDYBJGAARDCY-UHFFFAOYSA-N;143.23;-0.73;;;;;DOPC;MDCG;27;1;"MARTINI bead: SP1_P3";;;;;;;-1.93;;-7.42;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM438416;MM438416;CCC(C)CC1OC1C#N;TUILWPKMILZHBF-UHFFFAOYSA-N;139.2;1.71;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1_SNa";;;;;;;2.91;;0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM438417;MM438417;C=C1C(CF)C=CC1NC;WMVCHLNXEQVHIB-UHFFFAOYSA-N;141.19;1.29;;;;;DOPC;MDCG;27;1;"MARTINI bead: SNd_SC5";;;;;;;1.64;;-1.62;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM438418;MM438418;C#CC(=C)C1CN1N=CC;KCXQXLCUAIBZAX-UHFFFAOYSA-N;134.18;0.87;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP1_N0";;;;;;;0.34;;-1.53;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM438419;MM438419;C#CCC1C=CN(C=O)N1;KQDIRKSTFZFOAR-UHFFFAOYSA-N;136.15;-0.13;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP2_SP1";;;;;;;-1.06;;-3.82;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM438420;MM438420;C=CC(=CCNC=O)CN;NOQADLSDQVMLHJ-UHFFFAOYSA-N;140.19;-0.2;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_P3";;;;;;;-1.1;;-5.83;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM438421;MM438421;CC(CF)CC1OC1C#N;ADYOVEISOPBFBO-UHFFFAOYSA-N;143.16;1.27;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4_SNa";;;;;;;2.2;;0.34;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM438422;MM438422;CC1NC1CC(CN)CO;TWMCEUMSSFJJMW-UHFFFAOYSA-N;144.22;-0.7;;;;;DOPC;MDCG;27;1;"MARTINI bead: SP1_P2";;;;;;;-1.06;;-6.25;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM438423;MM438423;C=C1C(NC)C=CC1NC;AOPUQQNKIPXNNG-UHFFFAOYSA-N;138.21;0.29;;;;;DOPC;MDCG;27;1;"MARTINI bead: SNd_SNd";;;;;;;0.87;;-3.76;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM438424;MM438424;CC#CC1CC1C(C)CC;QSEPWUZCEAFCCZ-UHFFFAOYSA-N;136.24;2.69;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1_SC4";;;;;;;4.24;;0.42;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM438425;MM438425;Cc1ncn(C)c(=NN)n1;NHNRXLXPJHQJOG-UHFFFAOYSA-N;139.16;-1.1;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP1_SP2";;;;;;;-1.06;;-3.82;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM438426;MM438426;N#CC(=CCNC=N)CO;DBLLFHOSOGBROT-UHFFFAOYSA-N;139.16;-0.37;;;;;DOPC;MDCG;27;1;"MARTINI bead: P2_P2";;;;;;;-1.34;;-8.28;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM438427;MM438427;C=CC1OC1CC(N)CO;SLKKGXMMVMVGLF-UHFFFAOYSA-N;143.19;-0.35;;;;;DOPC;MDCG;27;1;"MARTINI bead: P3_SNa";;;;;;;-1.1;;-6.5;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM438428;MM438428;CC1NC1CC(CN)CF;SWZBTOFPCNLXLM-UHFFFAOYSA-N;146.21;0.28;;;;;DOPC;MDCG;27;1;"MARTINI bead: SP1_P1";;;;;;;-0.79;;-5.86;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM438429;MM438429;C=C1C(OC)C=CC1OC;OHNLEAYFPWRUCK-UHFFFAOYSA-N;140.18;1.14;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC5_SNa";;;;;;;1.64;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM438430;MM438430;CC#CC1CC1C(C)CN;ZZKKIRXWDTXYFE-UHFFFAOYSA-N;137.23;1.24;;;;;DOPC;MDCG;27;1;"MARTINI bead: SC4_Nd";;;;;;;2.2;;-2.23;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM438431;MM438431;CNc1cn(C)oc1=NN;UYONDKSPFYULRZ-UHFFFAOYSA-N;142.16;-0.57;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNd_SP2";;;;;;;-0.24;;-3.16;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM438432;MM438432;C=CC1OC1CC(O)CN;NABGMHHHHWEYAT-UHFFFAOYSA-N;143.19;-0.35;;;;;DOPC;MDCG;27;1;"MARTINI bead: P3_SNa";;;;;;;-1.1;;-6.35;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM438433;MM438433;N#CC(=CCNC=O)CO;OVKSDJCHOALMPM-UHFFFAOYSA-N;140.14;-0.83;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda_P3";;;;;;;-1.1;;-3.97;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM438434;MM438434;CCC(CC1NC1C)NC;JGQVECSZBHDJSS-UHFFFAOYSA-N;142.25;0.73;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_SP1";;;;;;;0.04;;-5.6;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM438435;MM438435;C=C1C(CC)N=CN1CC;HZGZTTUHWUXXLN-UHFFFAOYSA-N;138.21;1.64;;;;;DOPC;MDCG;27;1;"MARTINI bead: SN0_SNd";;;;;;;1.17;;-2.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM438436;MM438436;CON=C(C)C(F)F;RVMGNODFSBHDCE-UHFFFAOYSA-N;123.1;1.27;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_N0";;;;;;;1.17;;-1.18;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM438437;MM438437;CCC(C)CC1CN1C=N;LGGFHHIHQJKBIS-UHFFFAOYSA-N;140.23;1.71;;;;;DOPC;MDCG;27;1;"MARTINI bead: C1_SP2";;;;;;;1.8;;-2.13;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM438438;MM438438;CNC(CN)CC1NC1C;NMGUDUHOJYNRAV-UHFFFAOYSA-N;143.23;-0.72;;;;;DOPC;MDCG;27;1;"MARTINI bead: P3_SP1";;;;;;;-1.93;;-6.97;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM438439;MM438439;C#CCN1CC(C=C)C=N1;PTFUEMNHBGIQPO-UHFFFAOYSA-N;134.18;0.72;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP1_SP1";;;;;;;-0.79;;-3.13;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM438440;MM438440;N#CC(=CCNC=N)CF;DBNGZNIWTSXBHM-UHFFFAOYSA-N;141.15;0.6;;;;;DOPC;MDCG;27;1;"MARTINI bead: Na_P2";;;;;;;-0.24;;-7.2;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM438441;MM438441;CC#CC1CC1C(N)CC;ICOVYHOTJOCOOR-UHFFFAOYSA-N;137.23;1.38;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_SC4";;;;;;;2.2;;-2.46;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM438442;MM438442;CCn1ccn(CC)c1=N;UPIKXZORSAETGD-UHFFFAOYSA-N;139.2;0.81;;;;;DOPC;MDCG;27;1;"MARTINI bead: SN0_SP1";;;;;;;0.34;;-6.08;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM438443;MM438443;CNC(CF)CC1NC1C;BWFFMAPRPCQDMP-UHFFFAOYSA-N;146.21;0.29;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1_SP1";;;;;;;-0.79;;-4.47;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM438444;MM438444;CNc1cn(N)oc1=NN;LJWYAUFALMHGLM-UHFFFAOYSA-N;143.15;-1.39;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNd_SP2";;;;;;;-0.24;;-3.16;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM438445;MM438445;CC(CF)CC1CN1C=N;CSQXGRKBUYAPAT-UHFFFAOYSA-N;144.19;1.27;;;;;DOPC;MDCG;27;1;"MARTINI bead: C4_SP2";;;;;;;1.09;;-3.59;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM438446;MM438446;C=CC(=CCNN=C)CC;UJTUHYYJDHIOBF-UHFFFAOYSA-N;138.21;1.71;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1_P2";;;;;;;1.8;;0.41;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM438447;MM438447;CCn1ccn(CC)c1=O;NLLZIERPOVNIIA-UHFFFAOYSA-N;140.19;0.69;;;;;DOPC;MDCG;27;0;"MARTINI bead: SN0_SP2";;;;;;;0.06;;-2.21;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM438448;MM438448;CCC(C)CC1CN1C=O;JZPPDWFDHSEVSU-UHFFFAOYSA-N;141.21;1.26;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1_SP2";;;;;;;1.8;;0.4;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM438449;MM438449;CC#CC1CC1C(N)CN;IMIOPJOYIVUTLE-UHFFFAOYSA-N;138.21;-0.07;;;;;DOPC;MDCG;27;1;"MARTINI bead: SC4_P4";;;;;;;0.15;;-4.48;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM438450;MM438450;COC(CN)CC1NC1C;AONIUBVDFZLHCK-UHFFFAOYSA-N;144.22;-0.29;;;;;DOPC;MDCG;27;1;"MARTINI bead: P2_SP1";;;;;;;-1.06;;-5.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM438451;MM438451;C#CC1C=CC(CCN)C1;PRVSNHHMVUPNNS-UHFFFAOYSA-N;135.21;1.16;;;;;DOPC;MDCG;27;1;"MARTINI bead: SC5_SC5";;;;;;;2.41;;-0.47;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM438452;MM438452;CC1C(C)C1C1(O)CC1;RMFYUZLWDXNMRE-UHFFFAOYSA-N;126.2;1.41;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC5_SP1";;;;;;;0.81;;-0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM438453;MM438453;CCn1ccn(NC)c1=N;ZZPRXEIUHWJUMC-UHFFFAOYSA-N;140.19;-0.04;;;;;DOPC;MDCG;27;1;"MARTINI bead: SP1_SP2";;;;;;;-1.06;;-7.79;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM438454;MM438454;CC(CF)CC1CN1C=O;UFICFWDTXCKTJD-UHFFFAOYSA-N;145.18;0.82;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4_SP2";;;;;;;1.09;;-0.38;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM438455;MM438455;CC#CC1CC1C(N)CO;RGIPQOVHYIUEKI-UHFFFAOYSA-N;139.2;-0.03;;;;;DOPC;MDCG;27;1;"MARTINI bead: SC4_P3";;;;;;;0.23;;-3.44;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM438456;MM438456;C#CC1C=CC(CCC)O1;LZARSKXAAPZJBK-UHFFFAOYSA-N;136.19;1.74;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC5_SNa";;;;;;;1.64;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM438457;MM438457;CCN(CC)CC1NC1C;QZRNUNQFBYAISC-UHFFFAOYSA-N;142.25;0.69;;;;;DOPC;MDCG;27;1;"MARTINI bead: C5_SP1";;;;;;;0.81;;-1.92;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM438458;MM438458;C#CC1CCC(C)C1O;SMRPIBFUKLGWSN-UHFFFAOYSA-N;124.18;1.03;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC3_SNda";;;;;;;2.57;;0.44;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM438459;MM438459;CCC(N)CC1CN1C=N;WQQWLLNWCJEFLU-UHFFFAOYSA-N;141.22;0.41;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_SP2";;;;;;;-0.24;;-6.41;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM438460;MM438460;CC#CC1CC1C(N)CF;NNPSOBLTZGOEHA-UHFFFAOYSA-N;141.19;0.94;;;;;DOPC;MDCG;27;1;"MARTINI bead: SC4_P2";;;;;;;1.09;;-2.11;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM438461;MM438461;C=CC1C=CC(CC)C1=C;NVOFDVSHZTXFIZ-UHFFFAOYSA-N;134.22;2.94;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC2_SC4";;;;;;;4.16;;0.44;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM438462;MM438462;C#CC1C=NN(CCC)C1;CHAMSTIBZIXADK-UHFFFAOYSA-N;136.2;0.95;;;;;DOPC;MDCG;27;0;"MARTINI bead: SN0_SP1";;;;;;;0.34;;-1.53;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM438463;MM438463;CCC(CC)CC1OC1C;XHJMXBDGXVLNST-UHFFFAOYSA-N;142.24;2.6;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1_SNa";;;;;;;2.91;;0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM438464;MM438464;C=CC(=CCNN=C)CF;BBIWCBJWUZSNSD-UHFFFAOYSA-N;142.18;1.27;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4_P2";;;;;;;1.09;;-0.38;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM438465;MM438465;N=CN1CC1CC(N)CN;MHAJDEXUQLYWGV-UHFFFAOYSA-N;142.21;-1.05;;;;;DOPC;MDCG;27;1;"MARTINI bead: P3_SP2";;;;;;;-2.2;;-8.33;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM438466;MM438466;C=C1C(C=O)C=CC1CC;MNBXYOIBBFPHCV-UHFFFAOYSA-N;136.19;1.95;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC2_SNa";;;;;;;2.83;;0.35;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM438467;MM438467;N#CC12CC1C=NN2;URJRNJPGKXXVQV-UHFFFAOYSA-N;107.12;-0.14;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP2_SP1";;;;;;;-1.06;;-3.82;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM438468;MM438468;C#CC1C=CC(CC#N)C1;RPZOKNZOOAQWIG-UHFFFAOYSA-N;131.18;1.73;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC5_SC5";;;;;;;2.41;;0.64;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM438469;MM438469;C=COCC=C(C=C)CC;ALTXHIHCKVZQPO-UHFFFAOYSA-N;138.21;2.67;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1_Na";;;;;;;2.91;;0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM438470;MM438470;CCC(CN)CC1OC1C;YCDYTKVSLHCOKX-UHFFFAOYSA-N;143.23;1.15;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_SNa";;;;;;;0.87;;-4.69;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM438471;MM438471;N=CN1CC1CC(N)CF;SJVYSDQAQBBSGE-UHFFFAOYSA-N;145.18;-0.04;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1_SP2";;;;;;;-1.06;;-7.03;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM438472;MM438472;C#CC1C=CC(NC=N)C1;DXXKGRCRSUKMPT-UHFFFAOYSA-N;134.18;0.76;;;;;DOPC;MDCG;27;1;"MARTINI bead: SNd_SC5";;;;;;;1.64;;-3.64;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM438473;MM438473;CC#CC1CC1C(O)CN;LVRSLIQWIJBMBI-UHFFFAOYSA-N;139.2;-0.03;;;;;DOPC;MDCG;27;1;"MARTINI bead: SC4_P3";;;;;;;0.23;;-3.18;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM438474;MM438474;C=C1C(C#N)C=CC1CC;XLGRKVJIHGVORA-UHFFFAOYSA-N;133.19;2.28;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC2_SC5";;;;;;;3.6;;0.34;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM438475;MM438475;C=COCC=C(C=O)CC;TYNRGWDIGYKUHT-UHFFFAOYSA-N;140.18;1.68;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_Na";;;;;;;0.87;;-2.22;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM438476;MM438476;CCC(CO)CC1OC1C;LODDYAJWKKSJRF-UHFFFAOYSA-N;144.21;1.18;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda_SNa";;;;;;;0.87;;-1.99;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM438477;MM438477;CCC(N)CC1CN1C=O;WXJRTQWMDXSVJO-UHFFFAOYSA-N;142.2;-0.05;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_SP1";;;;;;;0.04;;-5.23;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM438478;MM438478;C#CC1C=CC(CC=C)O1;NIRKRDLPHFGJPF-UHFFFAOYSA-N;134.18;1.52;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC5_SNa";;;;;;;1.64;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM438479;MM438479;C=COCC=C(C#N)CC;GPFBVGIWWUJORY-UHFFFAOYSA-N;137.18;2.01;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_Na";;;;;;;1.64;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM438480;MM438480;CC#CC1CC1C(O)CO;WCHVGJUODATZRD-UHFFFAOYSA-N;140.18;;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC4_P3";;;;;;;0.23;;-1.03;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM438481;MM438481;C=CC1C=CC(NC)C1=C;XXULGRIEAYDFOZ-UHFFFAOYSA-N;135.21;1.5;;;;;DOPC;MDCG;27;1;"MARTINI bead: SNd_SC4";;;;;;;2.2;;-1.19;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM438482;MM438482;CCC(CF)CC1OC1C;UYTFOPFGBXJHBH-UHFFFAOYSA-N;146.21;2.16;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4_SNa";;;;;;;2.2;;0.34;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM438483;MM438483;C#CC1CN(CC#N)C=N1;SYFSBLUSBOXEJW-UHFFFAOYSA-N;133.15;-0.14;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP1_SP1";;;;;;;-0.79;;-3.13;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM438484;MM438484;NCC(N)CC1CN1C=O;RKCNAQPUCQZJQI-UHFFFAOYSA-N;143.19;-1.5;;;;;DOPC;MDCG;27;1;"MARTINI bead: P3_SP2";;;;;;;-2.2;;-7.21;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM438485;MM438485;CC#CC1CC1C(O)CF;JPGQWJKAMFQFQA-UHFFFAOYSA-N;142.17;0.98;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC4_P2";;;;;;;1.09;;-0.38;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM438486;MM438486;C=C1C(C=O)C=CC1NC;YDOIBTXGLADUHU-UHFFFAOYSA-N;137.18;0.52;;;;;DOPC;MDCG;27;1;"MARTINI bead: SNd_SNa";;;;;;;0.87;;-3.34;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM438487;MM438487;CCC(C#N)=CCOC=O;SHEAIKZGHPCICK-UHFFFAOYSA-N;139.15;1.02;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_P1";;;;;;;0.81;;-0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM438488;MM438488;CC1OC1CC(CN)CN;NUKRKRTYVNPREN-UHFFFAOYSA-N;144.22;-0.3;;;;;DOPC;MDCG;27;1;"MARTINI bead: SNa_P3";;;;;;;-1.1;;-6.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM438489;MM438489;C#CC1CN(NC=N)C=N1;YVGPWICIQOMEKQ-UHFFFAOYSA-N;136.16;-0.56;;;;;DOPC;MDCG;27;1;"MARTINI bead: SP3_SP1";;;;;;;-1.93;;-6.85;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM438490;MM438490;N=CN1CC1CC(O)CN;CKSWQKPSSRGBOB-UHFFFAOYSA-N;143.19;-1.01;;;;;DOPC;MDCG;27;1;"MARTINI bead: P2_SP2";;;;;;;-1.34;;-7.53;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM438491;MM438491;CC#CC1CC1C(F)CN;NQTOAMOVIWUYEF-UHFFFAOYSA-N;141.19;0.94;;;;;DOPC;MDCG;27;1;"MARTINI bead: SC4_P2";;;;;;;1.09;;-1.85;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM438492;MM438492;C=C1C(CC)C=CN1C=N;KSLUROALCQNKEV-UHFFFAOYSA-N;136.2;1.96;;;;;DOPC;MDCG;27;1;"MARTINI bead: SN0_SNd";;;;;;;1.17;;-4.11;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM438493;MM438493;C=COCC=C(C=C)CN;GXYCWMPHHAHZDE-UHFFFAOYSA-N;139.2;1.22;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_Na";;;;;;;0.87;;-4.08;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM438494;MM438494;CC1OC1CC(CN)CO;BJSRZNNDFFCJGR-UHFFFAOYSA-N;145.2;-0.27;;;;;DOPC;MDCG;27;1;"MARTINI bead: SNa_P2";;;;;;;-0.24;;-5.67;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM438495;MM438495;C#CC1C=NN(CC=C)C1;DTACCLSGFSPUGV-UHFFFAOYSA-N;134.18;0.72;;;;;DOPC;MDCG;27;0;"MARTINI bead: SN0_SP1";;;;;;;0.34;;-1.53;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM438496;MM438496;N=CN1CC1CC(O)CO;SHJMCAPARYZAJN-UHFFFAOYSA-N;144.17;-0.98;;;;;DOPC;MDCG;27;1;"MARTINI bead: P3_SP1";;;;;;;-1.93;;-7.82;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM438497;MM438497;CC#CC1CC1C(F)CO;VGEQMJBMNSHTNX-UHFFFAOYSA-N;142.17;0.98;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC4_P2";;;;;;;1.09;;-0.38;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM438498;MM438498;C=C1C(CC)C=CN1C=O;XGGABJDNBCZZPF-UHFFFAOYSA-N;137.18;1.51;;;;;DOPC;MDCG;27;0;"MARTINI bead: SN0_SNda";;;;;;;1.17;;-1.13;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM438499;MM438499;C=CC(=CCOC=O)CN;QOAFBJJETCEFHV-UHFFFAOYSA-N;141.17;0.23;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_P1";;;;;;;0.04;;-4.82;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM438500;MM438500;CC1OC1CC(CN)CF;AJPIRRBXWNQIQD-UHFFFAOYSA-N;147.19;0.71;;;;;DOPC;MDCG;27;1;"MARTINI bead: SNa_P1";;;;;;;0.04;;-5.26;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM438501;MM438501;C#CC1C=NN(CC#N)C1;UUNZGNRZXKVZTB-UHFFFAOYSA-N;133.15;0.06;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP1_SP1";;;;;;;-0.79;;-3.13;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM438502;MM438502;NCC(O)CC1CN1C=O;GUULBEVUBOXYKJ-UHFFFAOYSA-N;144.17;-1.46;;;;;DOPC;MDCG;27;1;"MARTINI bead: P3_SP1";;;;;;;-1.93;;-6.59;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM438503;MM438503;CC#CC1CC1C(C)OC;KBJWBUHGAOFDQO-UHFFFAOYSA-N;138.21;1.68;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_SC4";;;;;;;2.2;;0.34;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM438504;MM438504;C=C1C(CN)C=CN1C=N;LUIKPNWCTCEIQJ-UHFFFAOYSA-N;137.19;0.51;;;;;DOPC;MDCG;27;1;"MARTINI bead: SP2_SNd";;;;;;;-0.24;;-6.19;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM438505;MM438505;C=COCC=C(C=C)CO;OEQBQCKFLZQSDV-UHFFFAOYSA-N;140.18;1.25;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda_Na";;;;;;;0.87;;-1.99;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM438506;MM438506;CC1OC1CC(CO)CF;HMVAQZPRDGHQQA-UHFFFAOYSA-N;148.18;0.74;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNa_P1";;;;;;;0.04;;-2.54;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM438507;MM438507;C#CCC1C=CC(C#C)C1;BFOFIEFPHFCGOT-UHFFFAOYSA-N;130.19;1.84;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC4_SC5";;;;;;;2.97;;0.45;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM438508;MM438508;N=CN1CC1CC(F)CO;QZUJHDIXAFXZFE-UHFFFAOYSA-N;146.17;;;;;;DOPC;MDCG;27;1;"MARTINI bead: P2_SP1";;;;;;;-1.06;;-7.01;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM438509;MM438509;C=C1C(NC)C=CN1C=N;HRNRQRLCSXXMJC-UHFFFAOYSA-N;137.19;0.52;;;;;DOPC;MDCG;27;1;"MARTINI bead: SP2_SNd";;;;;;;-0.24;;-5.84;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM438510;MM438510;CC#CC1NC1C(C)CC;PUOOITGZTLVOEQ-UHFFFAOYSA-N;137.23;1.4;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1_SP1";;;;;;;2.08;;0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM438511;MM438511;N#CC(=CCOC=O)CO;BYFJAQYWZSQICT-UHFFFAOYSA-N;141.13;-0.4;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_Na";;;;;;;-0.24;;-3.24;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM438512;MM438512;CC1OC1CC(CF)CF;CQKWVKZSEDSZID-UHFFFAOYSA-N;150.17;1.72;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNa_Na";;;;;;;0.87;;-2.22;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM438513;MM438513;C#CCN1C=NC(C#C)C1;UKLCKGVRFDMKRK-UHFFFAOYSA-N;132.17;-0.03;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP1_SP1";;;;;;;-0.79;;-3.13;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM438514;MM438514;NCC(F)CC1CN1C=O;CVDBXGPWENCVNX-UHFFFAOYSA-N;146.17;-0.49;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1_SP2";;;;;;;-1.06;;-5.03;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM438515;MM438515;CC1(O)CCC(=CF)CC1;RPHFXZXBSIJCEL-UHFFFAOYSA-N;144.19;2.16;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC5_SC4";;;;;;;2.97;;0.45;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM438516;MM438516;C=C(C)C(C)C(C)(C)O;CNULETXWTYKKTA-UHFFFAOYSA-N;128.22;1.97;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1_Nda";;;;;;;2.91;;0.57;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM438517;MM438517;C=COCC=C(C=O)CF;UOFDTRHYFDKZIO-UHFFFAOYSA-N;144.15;1.24;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_Na";;;;;;;0.87;;-2.22;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM438518;MM438518;CCC(CC1OC1C)NC;HWZMVQHLMIYGBF-UHFFFAOYSA-N;143.23;1.16;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_SNa";;;;;;;0.87;;-5;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM438519;MM438519;C#CCN1CC(C#C)C=N1;WIBVMEZKNLIFGH-UHFFFAOYSA-N;132.17;0.17;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP1_SP1";;;;;;;-0.79;;-3.13;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM438520;MM438520;CNC(C)CC1CN1C=N;SQHWIYOLBKWMPK-UHFFFAOYSA-N;141.22;0.28;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_SP2";;;;;;;-0.24;;-6.42;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM438521;MM438521;C#CC(N)=NC(C=O)=NC;WGIIOALHMBXISI-UHFFFAOYSA-N;137.14;-0.8;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_P2";;;;;;;-0.24;;-3.24;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM438522;MM438522;CC#CC1NC1C(C)CF;OAZGKJLPUUYWGN-UHFFFAOYSA-N;141.19;0.96;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP1_C4";;;;;;;1.37;;-0.05;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM438523;MM438523;C=COCC=C(C#N)CF;PPXRTUAKSKWOGW-UHFFFAOYSA-N;141.15;1.57;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_Na";;;;;;;0.87;;-2.22;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM438524;MM438524;CNC(CN)CC1OC1C;ARWYFAVODBFODX-UHFFFAOYSA-N;144.22;-0.29;;;;;DOPC;MDCG;27;1;"MARTINI bead: P3_SNa";;;;;;;-1.1;;-6.78;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM438525;MM438525;CC=CC1C=CC(CC)C1;QKNVHHICUYJQAM-UHFFFAOYSA-N;136.24;3.16;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC2_SC2";;;;;;;4.78;;0.59;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM438526;MM438526;C#CC(=C)NC=NN=CC;TTWQTOROVCHNJU-UHFFFAOYSA-N;135.17;0.76;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_Nd";;;;;;;1.64;;0.02;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM438527;MM438527;COC(C)CC1CN1C=N;KEPBAYKCCBOYHX-UHFFFAOYSA-N;142.2;0.7;;;;;DOPC;MDCG;27;1;"MARTINI bead: Na_SP2";;;;;;;-0.24;;-6.43;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM438528;MM438528;CC#CC1NC1C(N)CN;FYQUGIKNCCLPKF-UHFFFAOYSA-N;139.2;-1.36;;;;;DOPC;MDCG;27;1;"MARTINI bead: SP1_P4";;;;;;;-2.01;;-6.92;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM438529;MM438529;CCC(CC1OC1C)OC;LZLMEYCFGZJRBW-UHFFFAOYSA-N;144.21;1.59;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_SNa";;;;;;;0.87;;-2.22;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM438530;MM438530;C=CC(=CCON=C)CC;RXFBHIZWGWRZAK-UHFFFAOYSA-N;139.2;2.14;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1_P1";;;;;;;2.08;;0.48;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM438531;MM438531;COC(C)CC1CN1C=O;BQMKTQLSCDFFOM-UHFFFAOYSA-N;143.19;0.25;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_SP2";;;;;;;-0.24;;-3.24;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM438532;MM438532;CC=CC1C=CC(CN)C1;WADKGPOOTQUZAO-UHFFFAOYSA-N;137.23;1.71;;;;;DOPC;MDCG;27;1;"MARTINI bead: SC2_SNd";;;;;;;2.83;;-0.72;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM438533;MM438533;C=CC(C)=NNCCC#N;PNYWGSUSXJIDBW-UHFFFAOYSA-N;137.19;1.05;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_P1";;;;;;;0.81;;-0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM438534;MM438534;C=NOCC=C(C#N)CC;FRBLXYMJUYEKMW-UHFFFAOYSA-N;138.17;1.48;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_P1";;;;;;;0.81;;-0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM438535;MM438535;COC(CO)CC1OC1C;CKKPCCJCGXKSPI-UHFFFAOYSA-N;146.19;0.17;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_SNa";;;;;;;-0.24;;-3.24;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM438536;MM438536;CC#CC1NC1C(N)CO;OJNKSJYWTUYUIY-UHFFFAOYSA-N;140.19;-1.33;;;;;DOPC;MDCG;27;1;"MARTINI bead: SP1_P3";;;;;;;-1.93;;-6.3;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM438537;MM438537;C=NN1CC1CC(C)CC;HDKMMFQFUMUQFA-UHFFFAOYSA-N;140.23;1.72;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1_SP2";;;;;;;1.8;;0.4;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM438538;MM438538;CCc1nn(C)oc1=NN;ONWZKEHXDZWPHJ-UHFFFAOYSA-N;142.16;-0.65;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNa_SP2";;;;;;;-0.24;;-3.24;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM438539;MM438539;C=C1C(CC)N=CN1C=O;IVYANYYHPXSISG-UHFFFAOYSA-N;138.17;0.78;;;;;DOPC;MDCG;27;0;"MARTINI bead: SN0_SP1";;;;;;;0.34;;-1.53;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM438540;MM438540;CC(=O)C1CN1CC#N;NHGVJFCEYFNHSI-UHFFFAOYSA-N;124.14;-0.22;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_SP1";;;;;;;0.04;;-2.54;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM438541;MM438541;CC#CC1NC1C(O)CN;YCIQBLFYLCOBGD-UHFFFAOYSA-N;140.19;-1.33;;;;;DOPC;MDCG;27;1;"MARTINI bead: SP1_P3";;;;;;;-1.93;;-6.54;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM438542;MM438542;COC(CF)CC1OC1C;YPCXJOHCGVUKRL-UHFFFAOYSA-N;148.18;1.15;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_SNa";;;;;;;0.87;;-2.22;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM438543;MM438543;C=NN1CC1CC(C)CN;VFHLLDFLVKFRKO-UHFFFAOYSA-N;141.22;0.27;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_SP2";;;;;;;-0.24;;-5.96;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM438544;MM438544;CCC1C=CC(C=NN)C1;RJIROROZXGMHSA-UHFFFAOYSA-N;138.21;1.53;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC2_SC5";;;;;;;3.6;;0.34;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM438545;MM438545;C=C1C(C#N)N=CN1CC;HEPGERMPDUDIIG-UHFFFAOYSA-N;135.17;0.76;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNd_SP2";;;;;;;-0.24;;-3.16;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM438546;MM438546;CCN(CC)CC1OC1C;YFARAKXIMQSKGY-UHFFFAOYSA-N;143.23;1.12;;;;;DOPC;MDCG;27;1;"MARTINI bead: C5_SNa";;;;;;;1.64;;-1.65;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM438547;MM438547;C=CC(C=O)NCC=O;IJRBJVWQGWQHLJ-UHFFFAOYSA-N;127.14;-0.47;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_Na";;;;;;;-0.24;;-3.24;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM438548;MM438548;C=C(C)CC(C)(O)CC;TXUQLVYIQXLUHT-UHFFFAOYSA-N;128.22;2.11;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda_C4";;;;;;;2.2;;0.49;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM438549;MM438549;C=NN1CC1CC(N)CC;TVLOXXCZBMCYIX-UHFFFAOYSA-N;141.22;0.41;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_SP1";;;;;;;0.04;;-5.33;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM438550;MM438550;CC=CC1C=CC(NC)C1;KQWVUQZQUNEHEL-UHFFFAOYSA-N;137.23;1.73;;;;;DOPC;MDCG;27;1;"MARTINI bead: SNd_SC2";;;;;;;2.83;;-0.43;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM438551;MM438551;C=Cn1ccn(CC)c1=N;OMNTVQPZBJMUFU-UHFFFAOYSA-N;137.19;0.89;;;;;DOPC;MDCG;27;1;"MARTINI bead: SN0_SP1";;;;;;;0.34;;-5.87;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM438552;MM438552;CCC(CN)CC1CN1C;BEWDIDCVVYHMNF-UHFFFAOYSA-N;142.25;0.68;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_SNd";;;;;;;0.87;;-4.93;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM438553;MM438553;C=CC(=CCCC=O)OC;DKXZXPMTDIRPRD-UHFFFAOYSA-N;140.18;1.68;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4_Na";;;;;;;2.2;;0.34;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM438554;MM438554;CC#CC1NC1C(F)CN;IZSRKIUKRAMLLA-UHFFFAOYSA-N;142.18;-0.35;;;;;DOPC;MDCG;27;1;"MARTINI bead: SP1_P2";;;;;;;-1.06;;-4.98;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM438555;MM438555;C=NN1CC1CC(N)CN;REVXFHNGULAENL-UHFFFAOYSA-N;142.21;-1.04;;;;;DOPC;MDCG;27;1;"MARTINI bead: P3_SP2";;;;;;;-2.2;;-7.4;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM438556;MM438556;CNC1C=CC(C=NN)C1;CZLCPGBBCYGHMN-UHFFFAOYSA-N;139.2;0.1;;;;;DOPC;MDCG;27;1;"MARTINI bead: SNd_SC5";;;;;;;1.64;;-2.35;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM438557;MM438557;CCc1nc(=NN)on1C;FZXYBEAOEHZGEQ-UHFFFAOYSA-N;142.16;-0.65;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNa_SP3";;;;;;;-1.1;;-4.2;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM438558;MM438558;CCn1ccn(C=N)c1=N;JIFOOTJADZIPNT-UHFFFAOYSA-N;138.17;0.24;;;;;DOPC;MDCG;27;1;"MARTINI bead: SP1_SP2";;;;;;;-1.06;;-6.98;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM438559;MM438559;C=CC(=CCCC#N)OC;ZRMWESUDCAFDPU-UHFFFAOYSA-N;137.18;2.01;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4_P1";;;;;;;1.37;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM438560;MM438560;C=CC(CC)C(C)(C)O;QLZRBRNPJYJRDB-UHFFFAOYSA-N;128.22;1.97;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1_Nda";;;;;;;2.91;;0.57;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM438561;MM438561;C=NN1CC1CC(N)CF;VUXUWUXQCSTEPR-UHFFFAOYSA-N;145.18;-0.03;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1_SP2";;;;;;;-1.06;;-5.23;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM438562;MM438562;CC=CC1C=CC(OC)C1;AXZFGDZRHABZJL-UHFFFAOYSA-N;138.21;2.15;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNa_SC2";;;;;;;2.83;;0.35;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM438563;MM438563;CCn1ccn(C=O)c1=N;XEGSRCRFNRSLKX-UHFFFAOYSA-N;139.16;-0.17;;;;;DOPC;MDCG;27;0;"MARTINI bead: SN0_SP3";;;;;;;-0.8;;-2.99;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM438564;MM438564;CN1CC1CC(CN)CN;RVBKECYPHUJTHJ-UHFFFAOYSA-N;143.23;-0.78;;;;;DOPC;MDCG;27;1;"MARTINI bead: SNd_P3";;;;;;;-1.1;;-6.66;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM438565;MM438565;C=CCCC=C(C#N)OC;SCVLOQNIOWCXEO-UHFFFAOYSA-N;137.18;2.01;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_C3";;;;;;;2.57;;0.45;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM438566;MM438566;CC#CC1OC1C(N)CO;MXFFIVJQMAKEKZ-UHFFFAOYSA-N;141.17;-0.9;;;;;DOPC;MDCG;27;1;"MARTINI bead: SNa_P3";;;;;;;-1.1;;-5.86;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM438567;MM438567;C=NN1CC1CC(O)CN;KBQZSWCODRYUFI-UHFFFAOYSA-N;143.19;-1;;;;;DOPC;MDCG;27;1;"MARTINI bead: P3_SP1";;;;;;;-1.93;;-6.87;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM438568;MM438568;CC=CC1C=CC(CC)O1;ZZEBTIXCWUWEJZ-UHFFFAOYSA-N;138.21;2.3;;;;;DOPC;MDCG;27;0;"MARTINI bead: SN0_SC5";;;;;;;1.94;;0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM438569;MM438569;CN1CC1CC(CN)CO;ZCUAJOGWGCIWEH-UHFFFAOYSA-N;144.22;-0.74;;;;;DOPC;MDCG;27;1;"MARTINI bead: SNd_P2";;;;;;;-0.24;;-5.59;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM438570;MM438570;C=Cn1ccn(CC)c1=O;UYHWZNUAVJFMFI-UHFFFAOYSA-N;138.17;0.77;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP2_SP1";;;;;;;-1.06;;-3.82;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM438571;MM438571;COC(C=O)=CCCC#N;ZKULKSCLDBMIPA-UHFFFAOYSA-N;139.15;1.02;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_C5";;;;;;;0.54;;-1.09;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM438572;MM438572;CC#CC1OC1C(O)CC;QBAVIHFQMJKIJC-UHFFFAOYSA-N;140.18;0.55;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda_SNa";;;;;;;0.87;;-1.99;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM438573;MM438573;C=C(C)CCC(=NN)OC;CEWMOYSWUPWXEJ-UHFFFAOYSA-N;142.2;1.26;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda_C4";;;;;;;2.2;;0.49;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM438574;MM438574;CCC(CC1CN1C)NC;BBPQVSMSMFTWPY-UHFFFAOYSA-N;142.25;0.69;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_SNd";;;;;;;0.87;;-5.09;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM438575;MM438575;CC=CC1C=CC(CO)O1;ZXOPAXQVPSRTCD-UHFFFAOYSA-N;140.18;0.88;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC5_SP1";;;;;;;0.81;;-0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM438576;MM438576;C=Nn1ccn(CC)c1=N;NKGPPJVHCUNZGR-UHFFFAOYSA-N;138.17;0.25;;;;;DOPC;MDCG;27;1;"MARTINI bead: SP1_SP1";;;;;;;-0.79;;-5.05;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM438577;MM438577;C=CC(=CCNC=N)OC;ZFVHLJAIHSQLCL-UHFFFAOYSA-N;140.19;0.9;;;;;DOPC;MDCG;27;1;"MARTINI bead: C4_P3";;;;;;;0.23;;-4.86;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM438578;MM438578;CC#CC1OC1C(F)CC;MUSROQPBQDLRRW-UHFFFAOYSA-N;142.17;1.53;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4_SNa";;;;;;;2.2;;0.34;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM438579;MM438579;C=NN1CC1CC(F)CC;VEBAKZBFNVLCAZ-UHFFFAOYSA-N;144.19;1.42;;;;;DOPC;MDCG;27;0;"MARTINI bead: C2_SP2";;;;;;;1.72;;0.27;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM438580;MM438580;CC=CC1C=NN(CC)C1;XMAXZARPYRHDNZ-UHFFFAOYSA-N;138.21;1.5;;;;;DOPC;MDCG;27;0;"MARTINI bead: SN0_SN0";;;;;;;1.47;;-0.05;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM438581;MM438581;CNC(CO)CC1CN1C;XXNMYLJMHQDCMJ-UHFFFAOYSA-N;144.22;-0.73;;;;;DOPC;MDCG;27;1;"MARTINI bead: P2_SNd";;;;;;;-0.24;;-5.4;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM438582;MM438582;COC(C=O)=CCN=CN;XMIAOMAUHMBDDP-UHFFFAOYSA-N;142.16;-0.3;;;;;DOPC;MDCG;27;1;"MARTINI bead: Na_P2";;;;;;;-0.24;;-6.33;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM438583;MM438583;C=Cn1ccn(NC)c1=N;FKSYTRYJMQTRLH-UHFFFAOYSA-N;138.17;0.04;;;;;DOPC;MDCG;27;1;"MARTINI bead: SP3_SP1";;;;;;;-1.93;;-8.3;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM438584;MM438584;CC#CC1OC1C(F)CN;TUOHREKUVKJEBC-UHFFFAOYSA-N;143.16;0.07;;;;;DOPC;MDCG;27;1;"MARTINI bead: SNa_P2";;;;;;;-0.24;;-4.66;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM438585;MM438585;C=NN1CC1CC(C)OC;PSSGWJKDSHWDFQ-UHFFFAOYSA-N;142.2;0.71;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_SP2";;;;;;;-0.24;;-3.24;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM438586;MM438586;CC=CC1CN(CC)C=N1;JNGZAQUBZDXVJT-UHFFFAOYSA-N;138.21;1.29;;;;;DOPC;MDCG;27;1;"MARTINI bead: SNd_SN0";;;;;;;1.17;;-2.63;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM438587;MM438587;C=Cn1nnn(CC)c1=N;UTFSHJKXVAXWSU-UHFFFAOYSA-N;139.16;-0.32;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP2_SP1";;;;;;;-1.06;;-3.82;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM438588;MM438588;CCN(CC)CC1CN1C;VESISBKYHDDXRZ-UHFFFAOYSA-N;142.25;0.64;;;;;DOPC;MDCG;27;1;"MARTINI bead: C5_SP1";;;;;;;0.81;;-2.4;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM438589;MM438589;C=CC(=CCNN=C)OC;NPOJPDNAVORYOF-UHFFFAOYSA-N;140.19;0.91;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4_P2";;;;;;;1.09;;-0.38;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM438590;MM438590;CC#CC1OC1C(F)CO;WKEBFPJDCSVBSY-UHFFFAOYSA-N;144.15;0.11;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNa_P2";;;;;;;-0.24;;-3.24;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM438591;MM438591;CCN(C)CC1CN1C=N;ISEOCZLOQRNIBE-UHFFFAOYSA-N;141.22;0.23;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_SP2";;;;;;;-0.24;;-6.1;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM438592;MM438592;CCC1C=CN(C=NC)C1;KEZXOPANJRVMIR-UHFFFAOYSA-N;138.21;1.5;;;;;DOPC;MDCG;27;1;"MARTINI bead: SN0_SNd";;;;;;;1.17;;-3.92;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM438593;MM438593;C=COCC=C(C=C)OC;OTOOPZHNSSIGJF-UHFFFAOYSA-N;140.18;1.86;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4_Na";;;;;;;2.2;;0.34;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM438594;MM438594;CCC(CN)CN1CC1C;QBWBHXGUCYJTPS-UHFFFAOYSA-N;142.25;0.68;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_SNd";;;;;;;0.87;;-4.59;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM438595;MM438595;C#CC1C=CC(CC)C1=C;GPSRMGDWYWDZKB-UHFFFAOYSA-N;132.21;2.39;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC2_SC5";;;;;;;3.6;;0.34;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM438596;MM438596;CCN(C)CC1CN1C=O;ZXNMCRTZBJBWFZ-UHFFFAOYSA-N;142.2;-0.22;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_SP2";;;;;;;-0.24;;-4.55;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM438597;MM438597;CC#CC1OC1C(C)OC;BDOKQPJCLFCOFS-UHFFFAOYSA-N;140.18;0.81;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_SNa";;;;;;;0.87;;-2.22;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM438598;MM438598;CC1CN1CC(CN)CN;GWTKAKACOMEXNO-UHFFFAOYSA-N;143.23;-0.78;;;;;DOPC;MDCG;27;1;"MARTINI bead: SNd_P3";;;;;;;-1.1;;-6.35;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM438599;MM438599;CN=CN1C=CC(CN)C1;WOXYVWBJRIEMEW-UHFFFAOYSA-N;139.2;0.05;;;;;DOPC;MDCG;27;1;"MARTINI bead: SNd_SP2";;;;;;;-0.24;;-6.03;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM438600;MM438600;C#CC1C=CC(CN)C1=C;UFLIOEUNDPXSAT-UHFFFAOYSA-N;133.19;0.94;;;;;DOPC;MDCG;27;1;"MARTINI bead: SNd_SC5";;;;;;;1.64;;-2.63;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM438601;MM438601;C=CC(=CCOC=O)OC;HMOOIBKZNGZIEF-UHFFFAOYSA-N;142.15;0.88;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4_P1";;;;;;;1.37;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM438602;MM438602;CC#CC1CN1C(C)CN;XETTWNXLCFGIQG-UHFFFAOYSA-N;138.21;0.04;;;;;DOPC;MDCG;27;1;"MARTINI bead: SP1_P3";;;;;;;-1.93;;-6.69;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM438603;MM438603;C=NN1CC1CN(C)CC;YODCIFDOZZSNSC-UHFFFAOYSA-N;141.22;0.24;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_SP2";;;;;;;-0.24;;-4.29;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM438604;MM438604;CC1CN1CC(CN)CO;QKURGJXRRFAOMR-UHFFFAOYSA-N;144.22;-0.74;;;;;DOPC;MDCG;27;1;"MARTINI bead: SNd_P2";;;;;;;-0.24;;-5.26;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM438605;MM438605;CN=CN1C=CC(CF)C1;CWNBTMLERGHMNE-UHFFFAOYSA-N;142.18;1.06;;;;;DOPC;MDCG;27;1;"MARTINI bead: SNd_SNa";;;;;;;0.87;;-4.68;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM438606;MM438606;CC(C=O)=CC=NN=CN;VMYHZRHKLAFQNT-UHFFFAOYSA-N;139.16;0.1;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_Nd";;;;;;;0.87;;-1.88;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM438607;MM438607;C=COCC=C(C=O)OC;YUODFOSOLSLRKL-UHFFFAOYSA-N;142.15;0.88;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_Na";;;;;;;0.87;;-2.22;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM438608;MM438608;CC#CC1CN1C(C)CF;AONCYOHYCQRGBJ-UHFFFAOYSA-N;141.19;1.05;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP1_P1";;;;;;;-0.79;;-3.13;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM438609;MM438609;C=C(F)CCC(=NN)OC;RFSZDUJYFYJHGC-UHFFFAOYSA-N;146.17;1.17;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda_C5";;;;;;;1.64;;0.05;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM438610;MM438610;CCC(CN1CC1C)NC;HRGUCELOWGCONO-UHFFFAOYSA-N;142.25;0.69;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_SNd";;;;;;;0.87;;-4.88;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM438611;MM438611;C#CC1C=CC(NC)C1=C;CRYHHFJJKHYHTG-UHFFFAOYSA-N;133.19;0.95;;;;;DOPC;MDCG;27;1;"MARTINI bead: SNd_SC5";;;;;;;1.64;;-1.59;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM438612;MM438612;CN=CN1C=CC(NC)C1;UDMJSMWKYNJEDC-UHFFFAOYSA-N;139.2;0.06;;;;;DOPC;MDCG;27;1;"MARTINI bead: SP2_SNd";;;;;;;-0.24;;-5.6;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM438613;MM438613;C=COCC=C(C#N)OC;GWWDMPPZWGUMFK-UHFFFAOYSA-N;139.15;1.2;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_Na";;;;;;;0.87;;-2.22;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM438614;MM438614;C=CC(C)C1CC1C#CC;AAEUTBZLCSYQSG-UHFFFAOYSA-N;134.22;2.47;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC4_C3";;;;;;;3.9;;0.47;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM438615;MM438615;CCC(C)CN1CC1C#N;PDSMPZPZILFVHW-UHFFFAOYSA-N;138.21;1.24;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1_SP1";;;;;;;2.08;;0.48;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM438616;MM438616;CNC(CF)CN1CC1C;JWXODJUFYAAFGB-UHFFFAOYSA-N;146.21;0.25;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1_SNd";;;;;;;0.04;;-3.72;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM438617;MM438617;CC=CN1C=NC(CC)C1;QONVITWXEUEAJB-UHFFFAOYSA-N;138.21;1.64;;;;;DOPC;MDCG;27;1;"MARTINI bead: SN0_SNd";;;;;;;1.17;;-2.63;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM438618;MM438618;C=CC1C=CC(C=C)C1=C;HBTXVXQAHMGGJZ-UHFFFAOYSA-N;132.21;2.72;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC4_SC4";;;;;;;3.53;;0.53;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM438619;MM438619;C=CC(=CCON=C)OC;VLTXLFOZYOEGQP-UHFFFAOYSA-N;141.17;1.33;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4_P1";;;;;;;1.37;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM438620;MM438620;CC#CC1CC1C(C)C=O;BMFLUCQPHZERQF-UHFFFAOYSA-N;136.19;1.48;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC4_Na";;;;;;;2.2;;0.34;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM438621;MM438621;C=CC(=NN)OCC(=C)F;IQERKTMITGGKFZ-UHFFFAOYSA-N;144.15;0.94;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda_C5";;;;;;;1.64;;0.05;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM438622;MM438622;COC(CF)CN1CC1C;MUWARWCLZSQGRX-UHFFFAOYSA-N;147.19;0.68;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_SNd";;;;;;;0.87;;-1.88;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM438623;MM438623;C=CC1C=CC(C#N)C1=C;WVKZSOCTSGYWDT-UHFFFAOYSA-N;131.18;2.05;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC4_SC5";;;;;;;2.97;;0.45;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM438624;MM438624;CC=CN1C=NC(CN)C1;BEBXMPAMDBBRCC-UHFFFAOYSA-N;139.2;0.19;;;;;DOPC;MDCG;27;1;"MARTINI bead: SNd_SP3";;;;;;;-1.1;;-5.25;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM438625;MM438625;CC#CC1CC1C(C)C#N;PNDYCALECKMLBR-UHFFFAOYSA-N;133.19;1.81;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC4_P1";;;;;;;1.37;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM438626;MM438626;C=CCNC=C(C#N)CC;ASMDVRJCVJMXPR-UHFFFAOYSA-N;136.2;1.58;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_P1";;;;;;;0.81;;-0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM438627;MM438627;C=CC1CN1CC(N)CC;GMQBDUGYNGKUNR-UHFFFAOYSA-N;140.23;0.59;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_SNd";;;;;;;0.87;;-4.35;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM438628;MM438628;C=CC(CC)CC1CC1C;BNEVVGKSZWILJU-UHFFFAOYSA-N;138.25;3.24;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1_SC5";;;;;;;3.68;;0.46;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM438629;MM438629;C=C1C(C#N)C=CC1C#N;YOMWLKKOQCVQIE-UHFFFAOYSA-N;130.15;1.39;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC5_SN0";;;;;;;1.94;;0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM438630;MM438630;CC=NN1C=NC(CC)C1;KEJIMJZMXYVANC-UHFFFAOYSA-N;139.2;1.11;;;;;DOPC;MDCG;27;0;"MARTINI bead: SN0_SP1";;;;;;;0.34;;-1.53;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM438631;MM438631;C=CC(N)C1CC1C#CC;VIBAHQOGVCQFFD-UHFFFAOYSA-N;135.21;1.16;;;;;DOPC;MDCG;27;1;"MARTINI bead: SC4_P1";;;;;;;1.37;;-2.42;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM438632;MM438632;CCC(C=O)=CNCC#N;MVTOBLRWFLEVHB-UHFFFAOYSA-N;138.17;0.59;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_C5";;;;;;;0.54;;-1.09;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM438633;MM438633;C=CC1CC1CC(C)C#N;OWKHVCLBZGTFKH-UHFFFAOYSA-N;135.21;2.36;;;;;DOPC;MDCG;27;0;"MARTINI bead: N0_SC4";;;;;;;2.5;;0.44;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM438634;MM438634;CCC(C=O)CC1CC1C;FQDBIVLWQWHVLP-UHFFFAOYSA-N;140.23;2.26;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_SC5";;;;;;;2.41;;0.64;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM438635;MM438635;C=CC1C=CN(C=N)C1=C;WSUGMLMVBVNZPX-UHFFFAOYSA-N;134.18;1.74;;;;;DOPC;MDCG;27;1;"MARTINI bead: SN0_SNd";;;;;;;1.17;;-4.01;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM438636;MM438636;C=CCC(C)(O)CCC;PYKQMQBNPLNLPS-UHFFFAOYSA-N;128.22;2.11;;;;;DOPC;MDCG;27;0;"MARTINI bead: C3_C5";;;;;;;3.34;;0.48;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM438637;MM438637;C=CC1C=CC(C=CC)C1;JCOYHPKNGGLVLZ-UHFFFAOYSA-N;134.22;2.94;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC2_SC4";;;;;;;4.16;;0.44;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM438638;MM438638;CC(C#N)CC1CC1C=O;PRKJTZOPBYOAFL-UHFFFAOYSA-N;137.18;1.37;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_SNa";;;;;;;0.04;;-2.54;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM438639;MM438639;C=CCNC=C(C=O)CO;JMBIGJCLECHQFT-UHFFFAOYSA-N;141.17;-0.16;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_P1";;;;;;;-1.06;;-3.82;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM438640;MM438640;CCC(C#N)CC1CC1C;RHHBFADBCJBFGG-UHFFFAOYSA-N;137.23;2.58;;;;;DOPC;MDCG;27;0;"MARTINI bead: N0_SC5";;;;;;;1.94;;0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM438641;MM438641;C=CC1C=CN(C=O)C1=C;WJHJNAFSATXZJM-UHFFFAOYSA-N;135.17;1.29;;;;;DOPC;MDCG;27;0;"MARTINI bead: SN0_SNda";;;;;;;1.17;;-1.13;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM438642;MM438642;CC#CC1CC1C(O)C=O;ZGFCUAANIZVWGJ-UHFFFAOYSA-N;138.17;0.21;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC4_P2";;;;;;;1.09;;-0.38;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM438643;MM438643;CC=CC1C=CC(C#N)C1;OKPAQNDGOBNTCJ-UHFFFAOYSA-N;133.19;2.28;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC2_SN0";;;;;;;3.13;;0.3;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM438644;MM438644;N#CC(O)CC1CC1C#N;ICAZXJVJZOKING-UHFFFAOYSA-N;136.15;0.42;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_SN0";;;;;;;0.06;;-2.21;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM438645;MM438645;N#CCNC=C(C=O)CO;DVEOXKMFJFIKAI-UHFFFAOYSA-N;140.14;-0.83;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_P1";;;;;;;-1.06;;-3.82;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM438646;MM438646;C=C1C(C=O)C=CN1C=N;NUINJJMZRQDTGJ-UHFFFAOYSA-N;136.15;0.75;;;;;DOPC;MDCG;27;1;"MARTINI bead: SP2_SNd";;;;;;;-0.24;;-6.02;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM438647;MM438647;C=CC(CN)CC1CC1C;XSKVXCQZBARQDP-UHFFFAOYSA-N;139.24;1.79;;;;;DOPC;MDCG;27;1;"MARTINI bead: SC5_Nd";;;;;;;1.64;;-2.67;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM438648;MM438648;CC#CC1CC1C(O)C#N;URZIFWMRPNITLH-UHFFFAOYSA-N;135.17;0.53;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC4_P3";;;;;;;0.23;;-1.03;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM438649;MM438649;CC=CC1C=CN(C=N)C1;QHEZJJGNLVCQRW-UHFFFAOYSA-N;136.2;1.62;;;;;DOPC;MDCG;27;1;"MARTINI bead: SC5_SP1";;;;;;;0.81;;-3.95;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM438650;MM438650;C=CC(F)CC1CC1C=C;HBTDOUGLTYLCDB-UHFFFAOYSA-N;140.2;2.72;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4_SC4";;;;;;;3.53;;0.53;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM438651;MM438651;CCC(C#N)=CNNC=O;COKIACUURQAUBK-UHFFFAOYSA-N;139.16;0.05;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_P4";;;;;;;-0.41;;-2.78;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM438652;MM438652;C=C1C(C#N)C=CN1C=O;DTVOUZJGQDQQFX-UHFFFAOYSA-N;134.14;0.63;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP1_SNda";;;;;;;0.04;;-2.73;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM438653;MM438653;Cn1oc(=NN)nc1CF;NODDUVTXZSDEBJ-UHFFFAOYSA-N;146.13;-0.74;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP3_SNa";;;;;;;-1.1;;-4.2;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM438654;MM438654;CC=CC1C=CN(C=O)C1;GNJCOSPKAYOVSU-UHFFFAOYSA-N;137.18;1.16;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC5_SP1";;;;;;;0.81;;-0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM438655;MM438655;C=CC(F)C1CC1C#CC;DMDJULUGNRGCLH-UHFFFAOYSA-N;138.19;2.17;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC4_Na";;;;;;;2.2;;0.34;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM438656;MM438656;C=CC1CC1CC(F)C=O;RGHVOFGZKJDHKK-UHFFFAOYSA-N;142.17;1.74;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_SC4";;;;;;;1.37;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM438657;MM438657;N#CC(=CNNC=N)CO;BPZDNSJFHVBQMJ-UHFFFAOYSA-N;140.15;-0.91;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1_P4";;;;;;;-2.01;;-7.51;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM438658;MM438658;NN=CCC(=NN)C(F)F;OLUOYWKZLRLLJE-UHFFFAOYSA-N;150.13;-0.1;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_N0";;;;;;;0.34;;-1.53;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM438659;MM438659;CC1CC1CC(C=O)CO;XGHGWOHAZDVUAH-UHFFFAOYSA-N;142.2;0.84;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC5_P2";;;;;;;0.54;;-1.09;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM438660;MM438660;CC=CC1C=NN(C=O)C1;WFEMOALYFKKDEV-UHFFFAOYSA-N;138.17;0.64;;;;;DOPC;MDCG;27;0;"MARTINI bead: SN0_SP2";;;;;;;0.06;;-2.21;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM438661;MM438661;CC#CC1CC1C(F)C=O;AQIIFNHIUBULQW-UHFFFAOYSA-N;140.16;1.18;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC4_P2";;;;;;;1.09;;-0.38;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM438662;MM438662;N#CC1CC1CC(F)C=O;FMEMLBWFKMLTFH-UHFFFAOYSA-N;141.15;1.07;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_SN0";;;;;;;0.34;;-1.53;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM438663;MM438663;O=CNNC=C(C=O)CO;GEYNMGBQZVKWKK-UHFFFAOYSA-N;144.13;-1.69;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_P4";;;;;;;-2.29;;-5.95;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM438664;MM438664;CC=CC1C=CN(C=O)N1;BWQAPXVGDDRWFM-UHFFFAOYSA-N;138.17;0.42;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP1_SP2";;;;;;;-1.06;;-3.82;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM438665;MM438665;N=c1nnc(N)c(F)n1N;YXOFHFKCONLIRG-UHFFFAOYSA-N;144.11;-1.81;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP3_SP1";;;;;;;-1.93;;-4.72;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM438666;MM438666;CC1CC1CC(C#N)CO;ICROZQPDSRJGMD-UHFFFAOYSA-N;139.2;1.16;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC5_P2";;;;;;;0.54;;-1.09;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM438667;MM438667;CC#CC1CC1C(F)C#N;RHYDZTDSGACQGH-UHFFFAOYSA-N;137.16;1.51;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC4_Na";;;;;;;2.2;;0.34;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM438668;MM438668;N#CC(=CNNC=O)CO;AEHKQVLEGWOYHO-UHFFFAOYSA-N;141.13;-1.36;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_P4";;;;;;;-2.01;;-5.13;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM438669;MM438669;C=CC(C)NC1CC1C=C;PFEQGPNJZVIGDI-UHFFFAOYSA-N;137.23;1.73;;;;;DOPC;MDCG;27;1;"MARTINI bead: C3_SNd";;;;;;;2.57;;-0.92;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM438670;MM438670;C#CCC(C=O)=NN1CC1;TYJTYVQBMPLKJM-UHFFFAOYSA-N;136.15;-0.12;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_SP2";;;;;;;-1.06;;-3.82;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM438671;MM438671;CC=CC1C=CN(C=O)O1;FRDGTNMMOXHPBX-UHFFFAOYSA-N;139.15;0.85;;;;;DOPC;MDCG;27;0;"MARTINI bead: SN0_SP2";;;;;;;0.06;;-2.21;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM438672;MM438672;CC1CC1CC(C#N)CF;FNRBNJAFVANWEC-UHFFFAOYSA-N;141.19;2.14;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC5_Na";;;;;;;1.64;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM438673;MM438673;CC#CC1CC1N(C)C=N;NCJAYRFUKMKINX-UHFFFAOYSA-N;136.2;0.94;;;;;DOPC;MDCG;27;1;"MARTINI bead: SC4_P2";;;;;;;1.09;;-4.22;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM438674;MM438674;COC(CC=C(C)C)=NN;ADJPSVJAWABOEU-UHFFFAOYSA-N;142.2;1.26;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda_C4";;;;;;;2.2;;0.49;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM438675;MM438675;N=CNNC=C(C=O)CF;DRZYBSKYVSEONQ-UHFFFAOYSA-N;145.14;-0.26;;;;;DOPC;MDCG;27;1;"MARTINI bead: Na_P4";;;;;;;-1.19;;-7.13;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM438676;MM438676;C=CC1N=CN(C=O)C1=C;CMKYWNWWSKOIAG-UHFFFAOYSA-N;136.15;0.56;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP1_SP1";;;;;;;-0.79;;-3.13;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM438677;MM438677;CN=CN1C=CC(C=O)C1;JYMBDQCNJHCPRK-UHFFFAOYSA-N;138.17;0.29;;;;;DOPC;MDCG;27;1;"MARTINI bead: SNd_SP2";;;;;;;-0.24;;-5.81;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM438678;MM438678;CC#CC1CC1N(C)C=O;KAGHUCYGTWREAG-UHFFFAOYSA-N;137.18;0.49;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC4_P2";;;;;;;1.09;;-0.38;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM438679;MM438679;C=CC(CC)CC1CC1N;KPVODIGWWIQWPE-UHFFFAOYSA-N;139.24;1.94;;;;;DOPC;MDCG;27;1;"MARTINI bead: C1_SNd";;;;;;;2.91;;-0.42;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM438680;MM438680;CC(C#N)NC1CC1C#N;XQDLAENFTRYOBU-UHFFFAOYSA-N;135.17;0.4;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_SP2";;;;;;;-1.06;;-3.82;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM438681;MM438681;N#CC(=CNNC=N)CF;YZPNIMBYEHWADL-UHFFFAOYSA-N;142.14;0.06;;;;;DOPC;MDCG;27;1;"MARTINI bead: Na_P4";;;;;;;-1.19;;-7.11;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM438682;MM438682;CN=CN1C=CC(C#N)C1;XAOPASPHRBYUDX-UHFFFAOYSA-N;135.17;0.61;;;;;DOPC;MDCG;27;1;"MARTINI bead: SNd_SP1";;;;;;;0.04;;-5.07;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM438683;MM438683;C=CC1N=CN(N=C)C1=C;FWZFQLFBXVWTDF-UHFFFAOYSA-N;135.17;1.01;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP1_SP1";;;;;;;-0.79;;-3.13;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM438684;MM438684;CC#CC1CC1N(N)C=N;MNVAVSVSCHSBLX-UHFFFAOYSA-N;137.19;0.18;;;;;DOPC;MDCG;27;1;"MARTINI bead: SC4_P3";;;;;;;0.23;;-3.05;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM438685;MM438685;C=CC(CO)CC1CC1N;SOCVFWKTXSRLPZ-UHFFFAOYSA-N;141.21;0.52;;;;;DOPC;MDCG;27;1;"MARTINI bead: SNd_Nda";;;;;;;0.87;;-4.56;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM438686;MM438686;CC(C#N)OC1CC1C#N;IOFOVSUPQUKBDQ-UHFFFAOYSA-N;136.15;0.83;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_SP2";;;;;;;-1.06;;-3.82;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM438687;MM438687;O=CNNC=C(C=O)CF;AULZBYKGBPFXTG-UHFFFAOYSA-N;146.12;-0.71;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_P4";;;;;;;-1.19;;-4.76;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM438688;MM438688;CC#CC1CC1N(N)C=O;PZJAIDJBPVVEAZ-UHFFFAOYSA-N;138.17;-0.27;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC4_P4";;;;;;;0.15;;-2.18;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM438689;MM438689;C=CC(=O)CC1NC1C=C;NOGDWPREMKACPL-UHFFFAOYSA-N;137.18;0.66;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP1_Na";;;;;;;0.04;;-2.54;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM438690;MM438690;C=CC1CN(C=CC)C=N1;FJQOXIYYORFEDN-UHFFFAOYSA-N;136.2;1.42;;;;;DOPC;MDCG;27;1;"MARTINI bead: SNd_SP1";;;;;;;0.04;;-3.64;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM438691;MM438691;C=CC(CF)CC1CC1N;MHQCQKVVIWTTHC-UHFFFAOYSA-N;143.21;1.5;;;;;DOPC;MDCG;27;1;"MARTINI bead: SNd_C5";;;;;;;1.64;;-2.54;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM438692;MM438692;C=CC1CC1CN(C)C=N;OOCSURKHAHAGRG-UHFFFAOYSA-N;138.21;1.35;;;;;DOPC;MDCG;27;1;"MARTINI bead: P2_SC4";;;;;;;1.09;;-4.73;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM438693;MM438693;COC(C=O)=CNCC#N;ZQAHJIHFOCOWPG-UHFFFAOYSA-N;140.14;-0.21;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda_P2";;;;;;;-0.24;;-3.31;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM438694;MM438694;C=NN(C)C1CC1C#CC;MWZYLSSDXBSQGN-UHFFFAOYSA-N;136.2;0.95;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC4_P1";;;;;;;1.37;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM438695;MM438695;C=C1N(C=N)C=CN1C=N;KAEVXELSUBGTCI-UHFFFAOYSA-N;136.16;0.76;;;;;DOPC;MDCG;27;1;"MARTINI bead: SP3_SP1";;;;;;;-1.93;;-7.34;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM438696;MM438696;C=CC1CN(N=CC)C=N1;ATTQYZRNWVKXKU-UHFFFAOYSA-N;137.19;0.89;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP1_SP1";;;;;;;-0.79;;-3.13;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM438697;MM438697;C=Cc1nc(=NN)on1C;WBGFBDYOZWBYQN-UHFFFAOYSA-N;140.15;-0.57;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP3_SNa";;;;;;;-1.1;;-4.2;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM438698;MM438698;C=CC1CC1CN(C)C=O;OIDSFXQKMKYINF-UHFFFAOYSA-N;139.2;0.9;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_SC4";;;;;;;1.09;;-0.38;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM438699;MM438699;CCC(=O)CN(C)C=O;GFKFBOCKWQFXGN-UHFFFAOYSA-N;129.16;0.05;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_P2";;;;;;;-0.24;;-3.24;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM438700;MM438700;COC(C#N)=CNNC=N;DELVBIMSWHPCFU-UHFFFAOYSA-N;140.15;-0.3;;;;;DOPC;MDCG;27;1;"MARTINI bead: Na_P4";;;;;;;-1.19;;-7.08;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM438701;MM438701;C=C1N(C=N)C=CN1C=O;AMGRVRBOYVIKRP-UHFFFAOYSA-N;137.14;0.31;;;;;DOPC;MDCG;27;1;"MARTINI bead: SP3_SP1";;;;;;;-1.93;;-6.76;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM438702;MM438702;CCC(C#N)CC1CC1O;NXEIQKREJZXBQA-UHFFFAOYSA-N;139.2;1.31;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_SP1";;;;;;;0.81;;-0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM438703;MM438703;CC=NN1C=NC(C#N)C1;PLVBZJBFBWFQLI-UHFFFAOYSA-N;136.16;0.23;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP1_SP2";;;;;;;-1.06;;-3.82;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM438704;MM438704;CN(C=O)CC1CC1C#N;KAKWVURSDOBSOJ-UHFFFAOYSA-N;138.17;0.23;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_SN0";;;;;;;0.06;;-2.21;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM438705;MM438705;CC#CC1NC1C(C)C#N;HPWFZXCQRAYFJT-UHFFFAOYSA-N;134.18;0.51;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP1_P1";;;;;;;-0.79;;-3.13;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM438706;MM438706;C=CCOC=C(C=C)CC;FPOYVMJYGSTOBS-UHFFFAOYSA-N;138.21;2.67;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1_Na";;;;;;;2.91;;0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM438707;MM438707;C=Cn1ccn(C=C)c1=N;KQOHHJKTSKEXBS-UHFFFAOYSA-N;135.17;0.97;;;;;DOPC;MDCG;27;1;"MARTINI bead: SP1_SP1";;;;;;;-0.79;;-7.25;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM438708;MM438708;C=CC(CN)CC1CC1O;DAMZYVGTXWDDSC-UHFFFAOYSA-N;141.21;0.52;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_SNda";;;;;;;0.87;;-4.69;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM438709;MM438709;C#CC1C=CC(C=CC)C1;FVSRHKAQHIOQOO-UHFFFAOYSA-N;132.21;2.39;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC2_SC5";;;;;;;3.6;;0.34;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM438710;MM438710;C=CC1CC1CN(O)C=O;QXWWDKMGWCHEAL-UHFFFAOYSA-N;141.17;0.66;;;;;DOPC;MDCG;27;0;"MARTINI bead: P3_SC4";;;;;;;0.23;;-1.03;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM438711;MM438711;C=CC(N)C1NC1C#CC;WHLCOOLLCWPQHM-UHFFFAOYSA-N;136.2;-0.14;;;;;DOPC;MDCG;27;1;"MARTINI bead: SP1_P1";;;;;;;-0.79;;-4.76;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM438712;MM438712;C=CC(=COCC=O)CC;WCAYZOGQFZBXRF-UHFFFAOYSA-N;140.18;1.68;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1_P2";;;;;;;1.8;;0.4;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM438713;MM438713;CCC1=CCC(CC)C1O;QUMWESRDWMBBRH-UHFFFAOYSA-N;140.23;2.11;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC2_SC5";;;;;;;3.6;;0.34;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM438714;MM438714;C=Cn1ccn(C=O)c1=N;KSVYFWJNTUHKIB-UHFFFAOYSA-N;137.14;-0.09;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP1_SP3";;;;;;;-1.93;;-4.72;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM438715;MM438715;C#CC1C=CC(C=CC)O1;RPLZUUCXECUSGP-UHFFFAOYSA-N;134.18;1.52;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC5_SNa";;;;;;;1.64;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM438716;MM438716;N#CC1CC1CN(O)C=O;ASLDIVJAEBFKMZ-UHFFFAOYSA-N;140.14;-0.01;;;;;DOPC;MDCG;27;0;"MARTINI bead: P3_SN0";;;;;;;-0.8;;-2.99;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM438717;MM438717;C=CCOC=C(C=O)CC;CAZJNGIGYKPBGC-UHFFFAOYSA-N;140.18;1.68;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_Na";;;;;;;0.87;;-2.22;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM438718;MM438718;CC(F)CN=C(N)C=O;HXGCIXITJCVEFZ-UHFFFAOYSA-N;132.14;-0.1;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_P3";;;;;;;-0.33;;-2.01;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM438719;MM438719;N=Cn1ccn(C=N)c1=N;BVZIDEOUJCPIHP-UHFFFAOYSA-N;137.15;-0.32;;;;;DOPC;MDCG;27;1;"MARTINI bead: SP2_SP3";;;;;;;-2.2;;-6.94;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM438720;MM438720;C#CC1CN(N=CC)C=N1;CBVASHUFRKMTKD-UHFFFAOYSA-N;135.17;0.34;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP1_SP1";;;;;;;-0.79;;-3.13;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM438721;MM438721;O=CC(CO)CC1CC1O;YACQPJMBZAWYEA-UHFFFAOYSA-N;144.17;-0.44;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_SNda";;;;;;;-0.24;;-3.31;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM438722;MM438722;C=CC1CC1CN(C)N=C;VIIJJBVXQCYHCM-UHFFFAOYSA-N;138.21;1.36;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_SC4";;;;;;;1.37;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM438723;MM438723;C=CCOC=C(C#N)CC;TUOPLHBSVZQCED-UHFFFAOYSA-N;137.18;2.01;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_Na";;;;;;;1.64;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM438724;MM438724;C=CC(F)C1NC1C#CC;GWSIARWPYNOZJX-UHFFFAOYSA-N;139.17;0.87;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP1_Na";;;;;;;0.04;;-2.54;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM438725;MM438725;C=Cn1ccn(C=C)c1=O;LUJRIRBQVSBUCP-UHFFFAOYSA-N;136.15;0.85;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP2_SP1";;;;;;;-1.06;;-3.82;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM438726;MM438726;CC#CC1C=CC(CC)C1;DFLPQYQDBFYWIX-UHFFFAOYSA-N;134.22;2.61;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC2_SC4";;;;;;;4.16;;0.44;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM438727;MM438727;N#CC(CO)CC1CC1O;ULVVETKBWVTOPA-UHFFFAOYSA-N;141.17;-0.11;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_SNda";;;;;;;-0.24;;-3.31;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM438728;MM438728;C=CC1CC1NN(C)C=O;PFUFDZSSTPRWFA-UHFFFAOYSA-N;140.19;0.15;;;;;DOPC;MDCG;27;0;"MARTINI bead: P4_SC4";;;;;;;0.15;;-2.18;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM438729;MM438729;CCC(C#N)=COCC=O;VVVSLDCWMCWBBQ-UHFFFAOYSA-N;139.15;1.02;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_P2";;;;;;;0.54;;-1.09;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM438730;MM438730;CC#CC1NC1C(F)C#N;FHTRDGSKMPUPIO-UHFFFAOYSA-N;138.15;0.21;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP1_Na";;;;;;;0.04;;-2.54;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM438731;MM438731;C=Cn1ccn(C=N)c1=O;XDJZFSNRJUCSHS-UHFFFAOYSA-N;137.14;0.21;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP1_SP2";;;;;;;-1.06;;-3.82;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM438732;MM438732;C=NN1CC1C(=O)C#CC;FOEFSMUUXIWILK-UHFFFAOYSA-N;136.15;-0.12;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_SP2";;;;;;;0.54;;-1.09;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM438733;MM438733;CC#CC1C=CC(CN)C1;COBBYDGUKOKBMV-UHFFFAOYSA-N;135.21;1.16;;;;;DOPC;MDCG;27;1;"MARTINI bead: SC4_SNd";;;;;;;2.2;;-2.19;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM438734;MM438734;CCC(C=O)=COCC#N;DTHOFUDDAGGMQQ-UHFFFAOYSA-N;139.15;1.02;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_C5";;;;;;;0.54;;-1.09;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM438735;MM438735;C=CC1NC1CC(C)C#N;JSJWCKSTAPJYQX-UHFFFAOYSA-N;136.2;1.06;;;;;DOPC;MDCG;27;0;"MARTINI bead: N0_SP1";;;;;;;0.34;;-1.53;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM438736;MM438736;C#CC(C)C1CC1C#CC;ZFCVUGUBJRAQJV-UHFFFAOYSA-N;132.21;1.92;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC4_C5";;;;;;;2.97;;0.45;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM438737;MM438737;C=Cn1ccn(N=C)c1=N;CGBQROCSJUCJDB-UHFFFAOYSA-N;136.16;0.33;;;;;DOPC;MDCG;27;1;"MARTINI bead: SP1_SP2";;;;;;;-1.06;;-5.5;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM438738;MM438738;C#Cc1cn(N)oc1=NN;TWLIIYZGGDBELG-UHFFFAOYSA-N;138.13;-1.45;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP2_SN0";;;;;;;0.06;;-2.21;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM438739;MM438739;N#CC(CF)CC1CC1O;TYJKPJVNZMETFE-UHFFFAOYSA-N;143.16;0.87;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNda_Na";;;;;;;0.87;;-1.99;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM438740;MM438740;C=CCOC=C(C=C)CN;GMUHMPJNIRPLKO-UHFFFAOYSA-N;139.2;1.22;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_Na";;;;;;;0.87;;-4.02;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM438741;MM438741;C=CC(C)CC1NC1C#N;XIULZMUEGWTSIV-UHFFFAOYSA-N;136.2;1.06;;;;;DOPC;MDCG;27;0;"MARTINI bead: C3_SP2";;;;;;;1.46;;-0.15;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM438742;MM438742;C#CC(N)C1CC1C#CC;BHAQUEMMSLMQRL-UHFFFAOYSA-N;133.19;0.61;;;;;DOPC;MDCG;27;1;"MARTINI bead: SC4_P2";;;;;;;1.09;;-2.15;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM438743;MM438743;C=Cn1ccn(N=C)c1=O;FSMZTFDRYXOCNA-UHFFFAOYSA-N;137.14;0.21;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP1_SP2";;;;;;;-1.06;;-3.82;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM438744;MM438744;CC#CC1C=CC(CF)C1;JDOVXXDKCSHEHA-UHFFFAOYSA-N;138.19;2.17;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC4_SC5";;;;;;;2.97;;0.45;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM438745;MM438745;CCC(C=O)CC1CC1F;HGQZTKLDWFSHOY-UHFFFAOYSA-N;144.19;1.96;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_SNa";;;;;;;1.64;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM438746;MM438746;COC(CC=C(C)F)=NN;AXJPGPIZJIFHNH-UHFFFAOYSA-N;146.17;1.17;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda_C5";;;;;;;1.64;;0.05;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM438747;MM438747;C#CC(O)C1CC1C#CC;JBNKFGUSWXRSAG-UHFFFAOYSA-N;134.18;0.64;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC4_P2";;;;;;;1.09;;-0.38;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM438748;MM438748;C=CCOC=C(C=C)CO;UUBWLJBSEHQNPH-UHFFFAOYSA-N;140.18;1.25;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda_Na";;;;;;;0.87;;-1.99;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM438749;MM438749;C=C1N(C=N)C=NN1C=O;AEFYLIQCNFGAPR-UHFFFAOYSA-N;138.13;-0.22;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP2_SP2";;;;;;;-1.34;;-4.31;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM438750;MM438750;CC#CC1C=CC(NC)C1;IKUVUOKEQCOECP-UHFFFAOYSA-N;135.21;1.17;;;;;DOPC;MDCG;27;1;"MARTINI bead: SNd_SC4";;;;;;;2.2;;-1.8;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM438751;MM438751;C=CC(CF)CC1CC1F;APLYFSBLUIELRN-UHFFFAOYSA-N;146.18;2.51;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_SNa";;;;;;;1.64;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM438752;MM438752;C#CC(F)C1CC1C#CC;ULPJXRCSYIISJG-UHFFFAOYSA-N;136.17;1.62;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC4_Na";;;;;;;2.2;;0.34;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM438753;MM438753;C=CC(=COCC#N)CO;AVQIAPVCWSJBTH-UHFFFAOYSA-N;139.15;0.59;;;;;DOPC;MDCG;27;0;"MARTINI bead: N0_P1";;;;;;;0.34;;-1.53;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM438754;MM438754;CCC(=NN)OC=C(C)F;DMBUZHNVNNJUCG-UHFFFAOYSA-N;146.17;1.52;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nd_Na";;;;;;;0.87;;-1.88;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM438755;MM438755;C=Cn1cnn(C=C)c1=O;LNQGGQXYPBZZOE-UHFFFAOYSA-N;137.14;0.25;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP1_SP3";;;;;;;-1.93;;-4.72;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM438756;MM438756;CC#CC1C=CC(OC)C1;GFHGEADLVVCFJQ-UHFFFAOYSA-N;136.19;1.6;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNa_SC4";;;;;;;2.2;;0.34;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM438757;MM438757;C=CC(CC1CC1C)NC;RWZUEBKIYSMTLF-UHFFFAOYSA-N;139.24;1.81;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_SC5";;;;;;;1.64;;-2.43;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM438758;MM438758;O=CCOC=C(C=O)CO;LRVURFFXQQVPSR-UHFFFAOYSA-N;144.13;-0.72;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_Na";;;;;;;-0.24;;-3.24;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM438759;MM438759;C#CC(=O)C(=O)N(C)NC;JLRKJOAZPCGQJO-UHFFFAOYSA-N;140.14;-1.22;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_P1";;;;;;;-1.06;;-3.82;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM438760;MM438760;C#CC(C)C1NC1C#CC;UDWJQJQIDVJSRY-UHFFFAOYSA-N;133.19;0.62;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP1_C5";;;;;;;0.81;;-0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM438761;MM438761;C=Cn1nnn(C=C)c1=N;UXOJWEZHJYZNPV-UHFFFAOYSA-N;137.15;-0.24;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP1_SP2";;;;;;;-1.06;;-3.82;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM438762;MM438762;CC#CC1C=CC(CC)N1;CKXYEIJSFUWFCM-UHFFFAOYSA-N;135.21;1.32;;;;;DOPC;MDCG;27;1;"MARTINI bead: SN0_SNd";;;;;;;1.17;;-3.29;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM438763;MM438763;CNC(C=O)CC1CC1C;RPLLMJZAQSPOMX-UHFFFAOYSA-N;141.21;0.82;;;;;DOPC;MDCG;27;1;"MARTINI bead: P2_SC5";;;;;;;0.54;;-2.36;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM438764;MM438764;C=CCOC=C(C=C)CF;IJNIBAZSZGGRPF-UHFFFAOYSA-N;142.17;2.23;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4_Na";;;;;;;2.2;;0.34;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM438765;MM438765;C=NN=CCOC(C)C=O;LFXPWTLBZGCXBI-UHFFFAOYSA-N;142.16;0.28;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_C5";;;;;;;0.54;;-1.09;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM438766;MM438766;CC(CC=C(F)F)=NN;NAQNHHRGGAFEFH-UHFFFAOYSA-N;134.13;1.49;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nd_C4";;;;;;;2.2;;0.32;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM438767;MM438767;C#CC1C=CN(C=N)C1=C;RZRYQPRVEUGJLK-UHFFFAOYSA-N;132.17;1.19;;;;;DOPC;MDCG;27;1;"MARTINI bead: SP1_SNd";;;;;;;0.04;;-5.38;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM438768;MM438768;CC#CC1C=CC(CN)N1;FXXXVSMEMBBLFS-UHFFFAOYSA-N;136.2;-0.14;;;;;DOPC;MDCG;27;1;"MARTINI bead: SNd_SP2";;;;;;;-0.24;;-5.28;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM438769;MM438769;CNC(C#N)CC1CC1C;VKGYHTFYKWUHDR-UHFFFAOYSA-N;138.21;1.14;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_SC5";;;;;;;0.54;;-1.09;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM438770;MM438770;C=CC(=COCC=O)CF;GBNBIHWBJHBMSD-UHFFFAOYSA-N;144.15;1.24;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4_P2";;;;;;;1.09;;-0.38;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM438771;MM438771;C#CC(F)C1NC1C#CC;HSGLXZPYFZHIPO-UHFFFAOYSA-N;137.16;0.32;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP1_Na";;;;;;;0.04;;-2.54;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM438772;MM438772;N#CC(F)CC1NC1C#N;DDWNZZROSWIBCT-UHFFFAOYSA-N;139.13;0.1;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_SP2";;;;;;;-0.24;;-3.24;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM438773;MM438773;C=CC12CC(C)C(O)C1C2;ILRNKRWODJBKKV-UHFFFAOYSA-N;138.21;1.58;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC4_SNda";;;;;;;2.2;;0.49;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM438774;MM438774;CC#CC1C=CC(CO)N1;JAHIVIFFWKSFMD-UHFFFAOYSA-N;137.18;-0.1;;;;;DOPC;MDCG;27;1;"MARTINI bead: SNd_SP1";;;;;;;0.04;;-4.15;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM438775;MM438775;C=CC(CC1CC1N)NC;RUCIJRJCGNZQEP-UHFFFAOYSA-N;140.23;0.5;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_SNd";;;;;;;0.87;;-5.01;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM438776;MM438776;C=CCOC=C(C=O)CF;WJBTYRNIEHPUSH-UHFFFAOYSA-N;144.15;1.24;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_Na";;;;;;;0.87;;-2.22;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM438777;MM438777;C=C(CN)C1CC1C#CC;XYXIRDMFSGUGGI-UHFFFAOYSA-N;135.21;1.16;;;;;DOPC;MDCG;27;1;"MARTINI bead: SC4_Nd";;;;;;;2.2;;-1.67;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM438778;MM438778;CN(C=N)CC1NC1C#N;OPTRMRUWJOPMGM-UHFFFAOYSA-N;138.17;-0.61;;;;;DOPC;MDCG;27;1;"MARTINI bead: P2_SP2";;;;;;;-1.34;;-8.39;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM438779;MM438779;C#CC1N=CN(C=C)C1=C;LHCQPXKVFZWEQP-UHFFFAOYSA-N;132.17;0.99;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNd_SP1";;;;;;;0.04;;-2.63;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM438780;MM438780;CC#CC1C=CC(CC)O1;PTECXCFWGNJPNB-UHFFFAOYSA-N;136.19;1.74;;;;;DOPC;MDCG;27;0;"MARTINI bead: SN0_SC5";;;;;;;1.94;;0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM438781;MM438781;C=NN=CNC=COC=O;HGYYRZAXXKQFBD-UHFFFAOYSA-N;141.13;-0.14;;;;;DOPC;MDCG;27;0;"MARTINI bead: N0_P1";;;;;;;0.34;;-1.53;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM438782;MM438782;C=CCOC=C(C#N)CF;XWZYSBHMNFOQLC-UHFFFAOYSA-N;141.15;1.57;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_Na";;;;;;;0.87;;-2.22;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM438783;MM438783;CN(C=O)CC1NC1C#N;DBESWGKAOMIETL-UHFFFAOYSA-N;139.16;-1.06;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_SP2";;;;;;;-1.34;;-4.31;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM438784;MM438784;CC#CC1CC1C(=O)CC;NZPWDEOEGGACHN-UHFFFAOYSA-N;136.19;1.62;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_SC4";;;;;;;2.2;;0.34;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM438785;MM438785;C#CC1N=CN(N=C)C1=C;BPDQVFUYDMVQFE-UHFFFAOYSA-N;133.15;0.46;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP1_SP1";;;;;;;-0.79;;-3.13;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM438786;MM438786;CC#CC1C=CC(CN)O1;GBENGSWNZILLSE-UHFFFAOYSA-N;137.18;0.29;;;;;DOPC;MDCG;27;1;"MARTINI bead: SC5_SP1";;;;;;;0.81;;-2.51;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM438787;MM438787;C=CC(CC1CC1F)NC;ISGCQXHIKINOBB-UHFFFAOYSA-N;143.21;1.51;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_SNa";;;;;;;0.87;;-4.41;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM438788;MM438788;O=CCOC=C(C=O)CF;KQHQMHPIMSGFPF-UHFFFAOYSA-N;146.12;0.25;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_Na";;;;;;;0.04;;-2.54;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM438789;MM438789;C=NN(C)CC1NC1C#N;KAQSSLUILLVBEX-UHFFFAOYSA-N;138.17;-0.6;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_SP2";;;;;;;-1.06;;-3.82;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM438790;MM438790;CC#CC1CC1C(=O)CO;MYZWZBDWDBBPOJ-UHFFFAOYSA-N;138.17;0.21;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC4_P2";;;;;;;1.09;;-0.38;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM438791;MM438791;C=CC=C(C)C1NC1C=O;ANTQXRCKKYRZFV-UHFFFAOYSA-N;137.18;0.66;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1_SP2";;;;;;;1.8;;0.4;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM438792;MM438792;CC#CC1C=CC(CO)O1;WXCQTVAZACPGMA-UHFFFAOYSA-N;138.17;0.33;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC5_SP1";;;;;;;0.81;;-0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM438793;MM438793;CNC(C=O)CC1CC1F;FTLUGJJUCOQLSV-UHFFFAOYSA-N;145.18;0.52;;;;;DOPC;MDCG;27;1;"MARTINI bead: P2_SNa";;;;;;;-0.24;;-4.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM438794;MM438794;C=CC(C)CC1OC1C=C;MPXFJQQVZCTXGH-UHFFFAOYSA-N;138.21;2.15;;;;;DOPC;MDCG;27;0;"MARTINI bead: C3_SNa";;;;;;;2.57;;0.45;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM438795;MM438795;C=CCOC=C(C=C)OC;OZHLZPASPHURPR-UHFFFAOYSA-N;140.18;1.86;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4_Na";;;;;;;2.2;;0.34;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM438796;MM438796;Nc1c[nH]nc1N;LHGQFZQWSOXLEW-UHFFFAOYSA-N;98.11;-0.43;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP1_SP1";;;;;;;-0.79;;-3.13;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM438797;MM438797;CC#CC1CC1C(=O)CF;FABYQIOOVLSVIR-UHFFFAOYSA-N;140.16;1.18;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC4_Na";;;;;;;2.2;;0.34;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM438798;MM438798;CC#CC1C=CC(OC)O1;UYSHJOMAOXGLKP-UHFFFAOYSA-N;138.17;0.94;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNa_SC5";;;;;;;1.64;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM438799;MM438799;C=CC(CC1CC1C)OC;IKFYRSCMEMOLPR-UHFFFAOYSA-N;140.23;2.23;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_SC5";;;;;;;2.41;;0.64;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM438800;MM438800;C=CC(=COCC#N)OC;JKFLTYHUSSFXAB-UHFFFAOYSA-N;139.15;1.2;;;;;DOPC;MDCG;27;0;"MARTINI bead: N0_Na";;;;;;;1.17;;-1.18;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM438801;MM438801;C=CC1OC1CC(C)C=O;XHOPCBFAUCPIQU-UHFFFAOYSA-N;140.18;1.16;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_SNa";;;;;;;0.87;;-2.22;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM438802;MM438802;C#CC1C=CC(C#C)C1=C;CDCPFPZDOVJTJL-UHFFFAOYSA-N;128.17;1.61;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC5_SC5";;;;;;;2.41;;0.64;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM438803;MM438803;CC#CC1CC1C(=N)NC;WFCDOQAAUQRMSE-UHFFFAOYSA-N;136.2;0.84;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1_SC4";;;;;;;1.37;;-4.87;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM438804;MM438804;CC#CC1C=NN(CC)C1;NDXUUTDBAGIKLQ-UHFFFAOYSA-N;136.2;0.95;;;;;DOPC;MDCG;27;0;"MARTINI bead: SN0_SP1";;;;;;;0.34;;-1.53;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM438805;MM438805;COC(C#N)CC1CC1C;DPLLWYROHOGKLU-UHFFFAOYSA-N;139.2;1.57;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_SC5";;;;;;;1.64;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM438806;MM438806;C=CCOC=C(C=O)OC;XNUDLPSPOLUGKV-UHFFFAOYSA-N;142.15;0.88;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_Na";;;;;;;0.87;;-2.22;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM438807;MM438807;C=CC(C)CC1OC1C#N;YZRZAWHDKSNMOI-UHFFFAOYSA-N;137.18;1.49;;;;;DOPC;MDCG;27;0;"MARTINI bead: C3_SNa";;;;;;;2.57;;0.45;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM438808;MM438808;CC=C1C=CC(CC)C1C;KVBBQGKSVBGOBE-UHFFFAOYSA-N;136.24;3.16;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC2_SC2";;;;;;;4.78;;0.59;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM438809;MM438809;C=C(OC)C1CC1C#CC;CDZKIAMPABFFAL-UHFFFAOYSA-N;136.19;1.81;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_SC4";;;;;;;2.97;;0.45;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM438810;MM438810;CC#CC1CN(OC)C=N1;IYCHDLVVUXCYDH-UHFFFAOYSA-N;138.17;0.28;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP1_SP1";;;;;;;-0.79;;-3.13;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM438811;MM438811;C=CC(CC1CC1N)OC;OBWJQUXJYLZRBF-UHFFFAOYSA-N;141.21;0.92;;;;;DOPC;MDCG;27;1;"MARTINI bead: C5_SP1";;;;;;;0.81;;-3.12;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM438812;MM438812;C=CCOC=C(C#N)OC;CEDBNNOEMFUIAL-UHFFFAOYSA-N;139.15;1.2;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_Na";;;;;;;0.87;;-2.22;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM438813;MM438813;CC=C1C=CC(CN)C1C;GKKSIUAJEWKVHP-UHFFFAOYSA-N;137.23;1.71;;;;;DOPC;MDCG;27;1;"MARTINI bead: SC2_SNd";;;;;;;2.83;;-0.7;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM438814;MM438814;CC(C=O)CC1OC1C#N;OXVHMKKCVKSLMC-UHFFFAOYSA-N;139.15;0.5;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_SNa";;;;;;;0.87;;-2.22;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM438815;MM438815;C=CC1C=CC(C#CC)C1;WDFQYKOJQMCVKF-UHFFFAOYSA-N;132.21;2.39;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC4_SC4";;;;;;;3.53;;0.53;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM438816;MM438816;C=NNC=NCC(C)C;DJWYBFLUYRGLPR-UHFFFAOYSA-N;127.19;0.88;;;;;DOPC;MDCG;27;0;"MARTINI bead: C3_P2";;;;;;;1.46;;-0.15;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM438817;MM438817;C=CC(CC1CC1O)OC;VCVPCVDSWARJOP-UHFFFAOYSA-N;142.2;0.96;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_SP1";;;;;;;0.81;;-0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM438818;MM438818;C#CC(C)C1NC1C=O;SREWJMQFCWTPLP-UHFFFAOYSA-N;123.16;-0.21;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_SP2";;;;;;;0.54;;-1.09;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM438819;MM438819;CC1C(=CF)C=CC1CF;VQUQJQSARXFCMJ-UHFFFAOYSA-N;144.16;2.63;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC5_SC4";;;;;;;2.97;;0.45;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM438820;MM438820;CC(C#N)CC1OC1C#N;BCEDZLXFFJAHBQ-UHFFFAOYSA-N;136.15;0.83;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_SNa";;;;;;;0.04;;-2.54;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM438821;MM438821;CC#CC1C=CC(C=O)C1;XIVKNFUYEYRLNU-UHFFFAOYSA-N;134.18;1.4;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC4_SNa";;;;;;;2.2;;0.34;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM438822;MM438822;C=C(CF)C1NC1C#CC;BYWZYCVUYVLORC-UHFFFAOYSA-N;139.17;0.88;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP1_Na";;;;;;;0.04;;-2.54;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM438823;MM438823;COC(C=O)CC1CC1O;ZMXPQCVDTPIUTL-UHFFFAOYSA-N;144.17;-0.03;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_SP1";;;;;;;0.04;;-2.54;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM438824;MM438824;CC=C1C=CC(CC)C1N;FZDCXHAAXQHDBV-UHFFFAOYSA-N;137.23;1.86;;;;;DOPC;MDCG;27;1;"MARTINI bead: SC2_SNd";;;;;;;2.83;;-0.43;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM438825;MM438825;CCC(C)=C(C)C(C)(C)O;DZSIJACBBWTQMB-UHFFFAOYSA-N;142.24;2.5;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1_Nda";;;;;;;2.91;;0.57;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM438826;MM438826;C=CC(N)CC1OC1C=C;BHFNKDOYPWEROA-UHFFFAOYSA-N;139.2;0.84;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1_SNa";;;;;;;0.04;;-4.95;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM438827;MM438827;CC#CC1C=CC(C#N)C1;DYOPWFFJVSEPNB-UHFFFAOYSA-N;131.18;1.73;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC4_SN0";;;;;;;2.5;;0.44;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM438828;MM438828;CC#CC(=N)NN=CC;NKSIEXIJESKVPZ-UHFFFAOYSA-N;123.16;0.58;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nd_Nd";;;;;;;0.87;;-2.11;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM438829;MM438829;COC(C#N)CC1CC1O;LHAMCQCCPHUFRH-UHFFFAOYSA-N;141.17;0.3;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_SP1";;;;;;;0.04;;-2.54;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM438830;MM438830;CC=C1C=CC(CN)C1N;HSVVUYCBPXYUKC-UHFFFAOYSA-N;138.21;0.4;;;;;DOPC;MDCG;27;1;"MARTINI bead: SNd_SNd";;;;;;;0.87;;-4.71;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM438831;MM438831;C=NN(C)CC1OC1C#N;RKKANPUCWMDUGZ-UHFFFAOYSA-N;139.16;-0.18;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_SP1";;;;;;;-0.79;;-3.13;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM438832;MM438832;C=CC(C)(O)CC(C)CC;HJOVECKPDPMXKG-UHFFFAOYSA-N;142.24;2.36;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1_C5";;;;;;;3.68;;0.46;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM438833;MM438833;C=CC1C=CC(C#CC)N1;MNIPBYFCJYMXDL-UHFFFAOYSA-N;133.19;1.09;;;;;DOPC;MDCG;27;1;"MARTINI bead: SNd_SN0";;;;;;;1.17;;-2.48;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM438834;MM438834;CC(CF)=NNCC#N;MASUVXYDSOLHNP-UHFFFAOYSA-N;129.14;0.44;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4_P3";;;;;;;0.23;;-1.03;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM438835;MM438835;C=CC(C)CC1CN1C=N;YUXNICOFXIBDDL-UHFFFAOYSA-N;138.21;1.49;;;;;DOPC;MDCG;27;1;"MARTINI bead: C2_SP2";;;;;;;1.72;;-2.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM438836;MM438836;COC(C=O)CC1CC1F;PWIKHFYJDSDMCL-UHFFFAOYSA-N;146.16;0.95;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_SNa";;;;;;;0.87;;-2.22;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM438837;MM438837;C=NNC(=N)C(C)(C)F;JZBOULISJOIDNB-UHFFFAOYSA-N;131.15;0.92;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_P2";;;;;;;0.54;;-1.09;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM438838;MM438838;CCC(C)=CC(C)(O)CC;KAYMAMKJLJIRPO-UHFFFAOYSA-N;142.24;2.5;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1_Nda";;;;;;;2.91;;0.57;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM438839;MM438839;CC#CC1C=CC(C#N)N1;INGYGVFPQBLTJM-UHFFFAOYSA-N;132.17;0.43;;;;;DOPC;MDCG;27;0;"MARTINI bead: SN0_SP1";;;;;;;0.34;;-1.53;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM438840;MM438840;CC#CC1NC1C(=N)NN;RBNKSUWVPWQZEG-UHFFFAOYSA-N;138.17;-1.21;;;;;DOPC;MDCG;27;1;"MARTINI bead: SP1_P4";;;;;;;-2.01;;-6.81;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM438841;MM438841;N#CC(O)CC1CN1C=N;YEBRYXRZBCJHGS-UHFFFAOYSA-N;139.16;-0.45;;;;;DOPC;MDCG;27;1;"MARTINI bead: P2_SP2";;;;;;;-1.34;;-7.48;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM438842;MM438842;COC(C#N)CC1CC1F;YENLRKYBVVIURR-UHFFFAOYSA-N;143.16;1.27;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_SNa";;;;;;;0.87;;-2.22;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM438843;MM438843;CC1C(=NO)C=CC1CO;WXRCDKWCKUNPTH-UHFFFAOYSA-N;141.17;0.63;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNda_SNda";;;;;;;0.87;;-2.07;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM438844;MM438844;C=CC1C=CC(C#CC)O1;VYIOQFIKDUJSNM-UHFFFAOYSA-N;134.18;1.52;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC5_SN0";;;;;;;1.94;;0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM438845;MM438845;C=C(C)C(C)CC(O)CC;BQKBPKIDIXTKSK-UHFFFAOYSA-N;142.24;2.36;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda_C1";;;;;;;2.91;;0.57;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM438846;MM438846;N=c1oc(N)c(F)n1N;QQNAWFNWZFDAED-UHFFFAOYSA-N;132.1;-1;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP1_SP2";;;;;;;-1.06;;-3.82;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM438847;MM438847;C=CC(O)CC1CN1C=O;IMQJJBVEAKEFON-UHFFFAOYSA-N;141.17;-0.24;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda_SP2";;;;;;;-0.24;;-3.31;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM438848;MM438848;C=CC(CC)NC1CC1C;MMIRLMBGUUJDEJ-UHFFFAOYSA-N;139.24;1.95;;;;;DOPC;MDCG;27;1;"MARTINI bead: C1_SNd";;;;;;;2.91;;-0.23;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM438849;MM438849;CCC(=O)ON=CNC;GSUDSZGDSNDWOB-UHFFFAOYSA-N;130.15;0.1;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_P2";;;;;;;-0.24;;-3.24;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM438850;MM438850;C=CCON=C(C=C)CC;NLFWLTQCETZEFZ-UHFFFAOYSA-N;139.2;2.14;;;;;DOPC;MDCG;27;0;"MARTINI bead: N0_Na";;;;;;;1.17;;-1.18;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM438851;MM438851;CC#CC1C=CC(C=O)O1;OCTQGOKUWAYZED-UHFFFAOYSA-N;136.15;0.53;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC5_SP1";;;;;;;0.81;;-0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM438852;MM438852;CC#CC1NC1C(=O)NO;PBQSBILCOOPCTQ-UHFFFAOYSA-N;140.14;-1.14;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP1_P4";;;;;;;-2.01;;-5.13;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM438853;MM438853;N#CC(F)CC1CN1C=N;KYHJZAIGTGBQCR-UHFFFAOYSA-N;141.15;0.53;;;;;DOPC;MDCG;27;1;"MARTINI bead: Na_SP2";;;;;;;-0.24;;-6.4;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM438854;MM438854;CCC(C=O)NC1CC1C;NNBBAWWVKPRIHD-UHFFFAOYSA-N;141.21;0.96;;;;;DOPC;MDCG;27;1;"MARTINI bead: C5_SNd";;;;;;;1.64;;-1.07;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM438855;MM438855;CC1C(=NO)C=CC1CF;UGLJMIJYSITQPR-UHFFFAOYSA-N;143.16;1.61;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC5_SNda";;;;;;;1.64;;0.05;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM438856;MM438856;C=CCON=C(C=C)CN;YFBQDYXQSQCFFD-UHFFFAOYSA-N;140.19;0.69;;;;;DOPC;MDCG;27;1;"MARTINI bead: N0_P1";;;;;;;0.34;;-2.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM438857;MM438857;CC#CC1C=CC(C#N)O1;QFTZAIMWCIYXFD-UHFFFAOYSA-N;133.15;0.86;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC5_SNa";;;;;;;1.64;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM438858;MM438858;CC#CC1CN1C(=N)CC;HKYBHIMCWLSWSJ-UHFFFAOYSA-N;136.2;1.08;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1_SP1";;;;;;;-0.79;;-5.28;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM438859;MM438859;N#CC(F)CC1CN1C=O;KGWAXZNBJYOOIL-UHFFFAOYSA-N;142.13;0.08;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_SP2";;;;;;;-0.24;;-3.24;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM438860;MM438860;CCC(C#N)NC1CC1C;MYSVMARFIPGWIU-UHFFFAOYSA-N;138.21;1.29;;;;;DOPC;MDCG;27;0;"MARTINI bead: N0_SNd";;;;;;;1.17;;-1.04;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM438861;MM438861;CC=C1C=CC(NC)C1C;NFYSLLOOKWIUNO-UHFFFAOYSA-N;137.23;1.73;;;;;DOPC;MDCG;27;1;"MARTINI bead: SNd_SC2";;;;;;;2.83;;-0.43;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM438862;MM438862;CC#CC1C=CN(C=N)C1;NZNGJODPIXVKPF-UHFFFAOYSA-N;134.18;1.06;;;;;DOPC;MDCG;27;1;"MARTINI bead: SN0_SP1";;;;;;;0.34;;-4.76;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM438863;MM438863;C=CCON=C(C#N)CO;ZBAXSHCZZSTELN-UHFFFAOYSA-N;140.14;0.06;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_P2";;;;;;;-0.24;;-3.24;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM438864;MM438864;CC#CC1CN1C(=O)CC;QMXIMAWMQJOJSA-UHFFFAOYSA-N;137.18;0.63;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_SP1";;;;;;;-1.06;;-3.82;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM438865;MM438865;C=CC(C)CC1CN1N=C;HXDVKGHDNRIEDO-UHFFFAOYSA-N;138.21;1.5;;;;;DOPC;MDCG;27;0;"MARTINI bead: C2_SP2";;;;;;;1.72;;0.27;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM438866;MM438866;C=CC(CN)NC1CC1C;UZBOGLXHDGPMSN-UHFFFAOYSA-N;140.23;0.5;;;;;DOPC;MDCG;27;1;"MARTINI bead: SNd_Nd";;;;;;;0.87;;-4.31;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM438867;MM438867;N#CCON=C(C=O)CO;PLAVJSWUFHZUBM-UHFFFAOYSA-N;142.11;-0.93;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_P2";;;;;;;-1.34;;-4.31;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM438868;MM438868;CNC1C=CC(=CF)C1C;XYKKTOSIIRVDJX-UHFFFAOYSA-N;141.19;1.63;;;;;DOPC;MDCG;27;1;"MARTINI bead: SNd_SC4";;;;;;;2.2;;-1.88;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM438869;MM438869;CC#CC1C=CN(C=O)C1;QRRAWIXLBRGRJF-UHFFFAOYSA-N;135.17;0.61;;;;;DOPC;MDCG;27;0;"MARTINI bead: SN0_SP1";;;;;;;0.34;;-1.53;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM438870;MM438870;CC#CC1CN1C(=O)CF;TULXDWWLBNEXCG-UHFFFAOYSA-N;141.15;0.19;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP1_P2";;;;;;;-1.06;;-3.82;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM438871;MM438871;C=NN1CC1CC(C)C#N;VFQSDTNCXXDVML-UHFFFAOYSA-N;137.19;0.84;;;;;DOPC;MDCG;27;0;"MARTINI bead: N0_SP2";;;;;;;0.06;;-2.21;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM438872;MM438872;C=CC(CO)NC1CC1C;JQPLLMDPNJQTAQ-UHFFFAOYSA-N;141.21;0.53;;;;;DOPC;MDCG;27;1;"MARTINI bead: SC5_P3";;;;;;;-0.33;;-3.67;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM438873;MM438873;CC=C1C=CC(NC)C1N;NXIPXYOXRBBEDQ-UHFFFAOYSA-N;138.21;0.42;;;;;DOPC;MDCG;27;1;"MARTINI bead: SNd_SNd";;;;;;;0.87;;-4.17;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM438874;MM438874;C=CC(C)C1C(O)C1(C)C;ARMSQZOHLOMDPY-UHFFFAOYSA-N;140.23;1.83;;;;;DOPC;MDCG;27;0;"MARTINI bead: C3_SNda";;;;;;;2.57;;0.44;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM438875;MM438875;CC#CC1C=NN(C=N)C1;XCLWBLINVYYIST-UHFFFAOYSA-N;135.17;0.53;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP1_SP2";;;;;;;-1.06;;-3.82;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM438876;MM438876;C=CC(=C)C1CC1C#CC;QYWWUDJXASRBIU-UHFFFAOYSA-N;132.21;2.39;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC4_C3";;;;;;;3.9;;0.47;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM438877;MM438877;CCCOCOC(C)=NN;FFRZTJBOCGTNIP-UHFFFAOYSA-N;146.19;0.68;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_Nd";;;;;;;0.87;;-1.88;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM438878;MM438878;C=CC(CC)NC1CC1N;LSAZXIGOEOIMAF-UHFFFAOYSA-N;140.23;0.64;;;;;DOPC;MDCG;27;1;"MARTINI bead: C1_SP3";;;;;;;0.94;;-1.86;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM438879;MM438879;CNC1C=CC(=NN)C1C;VDRHDKMLTYMXEF-UHFFFAOYSA-N;139.2;0.1;;;;;DOPC;MDCG;27;1;"MARTINI bead: SNd_SC5";;;;;;;1.64;;-1.87;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM438880;MM438880;CC#CC1C=NN(C=O)C1;PXEJNSLLRFUKNM-UHFFFAOYSA-N;136.15;0.08;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP1_SP2";;;;;;;-1.06;;-3.82;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM438881;MM438881;C=CC(CF)=NOCC#N;BJGLDXUVEANMJW-UHFFFAOYSA-N;142.13;1.04;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_Na";;;;;;;0.87;;-2.22;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM438882;MM438882;C=C(C#N)C1CC1C#CC;DZNXHEIUVXNVPX-UHFFFAOYSA-N;131.18;1.73;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC4_N0";;;;;;;2.5;;0.44;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM438883;MM438883;COCOCOC(C)=NN;APFPUOQQVOLDMC-UHFFFAOYSA-N;148.16;-0.13;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_Nda";;;;;;;-0.24;;-3.31;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM438884;MM438884;CNC1C=CC(=NO)C1C;LWSAOPYKQNQTCB-UHFFFAOYSA-N;140.19;0.61;;;;;DOPC;MDCG;27;1;"MARTINI bead: SNd_SNda";;;;;;;0.87;;-3.85;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM438885;MM438885;C=CC(CN)NC1CC1N;ZXBAJYYWTDYRBY-UHFFFAOYSA-N;141.22;-0.81;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_SP3";;;;;;;-1.1;;-6.13;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM438886;MM438886;C=CC(=O)C1CC1C#CC;XXCWEAQQOPLJAX-UHFFFAOYSA-N;134.18;1.4;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC4_Na";;;;;;;2.2;;0.34;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM438887;MM438887;N#CC(CF)=NOCC=O;VKBAEWZHADVIHY-UHFFFAOYSA-N;144.11;0.05;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_Na";;;;;;;0.87;;-2.22;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM438888;MM438888;CC#CC1CN(C=O)C=N1;JIAMFLREGYWDRX-UHFFFAOYSA-N;136.15;-0.12;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP1_SP2";;;;;;;-1.06;;-3.82;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM438889;MM438889;C=NN1CC1CC(F)C#N;RYJCNAOWSLSCJL-UHFFFAOYSA-N;141.15;0.54;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_SP2";;;;;;;-0.24;;-3.24;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM438890;MM438890;CC=C1C=CC(OC)C1C;QESWCKHGCTXZNQ-UHFFFAOYSA-N;138.21;2.15;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNa_SC2";;;;;;;2.83;;0.35;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM438891;MM438891;C=CC(CO)NC1CC1N;DMDNJYRWEIRFDY-UHFFFAOYSA-N;142.2;-0.78;;;;;DOPC;MDCG;27;1;"MARTINI bead: SP3_Nda";;;;;;;-1.1;;-5.81;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM438892;MM438892;C=CCON=C(C=C)OC;ISRFXSCSYLCVJO-UHFFFAOYSA-N;141.17;1.33;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_Na";;;;;;;0.87;;-2.22;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM438893;MM438893;C=NN1C=NC(C#CC)C1;DFWGOMYLOORGBS-UHFFFAOYSA-N;135.17;0.34;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP1_SP1";;;;;;;-0.79;;-3.13;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM438894;MM438894;C=CC(=C)C1NC1C#CC;YEZPMDZNZVEXDU-UHFFFAOYSA-N;133.19;1.09;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP1_C4";;;;;;;1.37;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM438895;MM438895;CCC=CCOC(C)=NN;KBGIWSDYJRKJCR-UHFFFAOYSA-N;142.2;1.26;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1_P2";;;;;;;1.8;;0.4;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM438896;MM438896;COC1C=CC(=CF)C1C;ZJPXWIULCJABTP-UHFFFAOYSA-N;142.17;2.06;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNa_SC4";;;;;;;2.2;;0.34;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM438897;MM438897;COC(C=O)=NOCC#N;VXJRRPCANSNAIZ-UHFFFAOYSA-N;142.11;-0.31;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_Na";;;;;;;-0.24;;-3.24;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM438898;MM438898;C=CC(CC)NC1CC1O;HIXIKIQYMYPXGM-UHFFFAOYSA-N;141.21;0.67;;;;;DOPC;MDCG;27;1;"MARTINI bead: C1_SP2";;;;;;;1.8;;-0.51;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM438899;MM438899;CC#CC1C=CN(C=N)N1;AYSFSHFZTNCYAJ-UHFFFAOYSA-N;135.17;0.32;;;;;DOPC;MDCG;27;1;"MARTINI bead: SP1_SP3";;;;;;;-1.93;;-6.91;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM438900;MM438900;Cn1oc(N)c(F)c1=N;NECIDEHSBPQDIF-UHFFFAOYSA-N;131.11;-0.18;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP1_SNda";;;;;;;0.04;;-2.73;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM438901;MM438901;C=CC1CN1CC(C)C#N;PEEJQLODHQIBBF-UHFFFAOYSA-N;136.2;1.02;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_SNd";;;;;;;0.04;;-2.63;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM438902;MM438902;CCC1C=CC(=NC)N1C;MSMSNXZUNNXSRQ-UHFFFAOYSA-N;138.21;1.29;;;;;DOPC;MDCG;27;1;"MARTINI bead: SN0_SNd";;;;;;;1.17;;-4.24;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM438903;MM438903;C#CCNC=NC=NN=C;DVRMVABVPKRIMI-UHFFFAOYSA-N;136.16;-0.12;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_N0";;;;;;;0.34;;-1.53;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM438904;MM438904;COC(C#N)=NOCC#N;BORQBWJZVJDGFJ-UHFFFAOYSA-N;139.11;0.01;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_P2";;;;;;;-0.24;;-3.24;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM438905;MM438905;CC#CC1C=CN(C=O)N1;BNCWYCAAOBJBRV-UHFFFAOYSA-N;136.15;-0.13;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP1_SP2";;;;;;;-1.06;;-3.82;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM438906;MM438906;Cn1nnc(=O)c(N)n1;XERWKJAOJIVFLK-UHFFFAOYSA-N;127.11;-1.85;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP4_SP2";;;;;;;-2.29;;-5.95;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM438907;MM438907;CC(C#N)CN1CC1C#N;XLFNLRIHBJPPIE-UHFFFAOYSA-N;135.17;0.35;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_SP1";;;;;;;-0.79;;-3.13;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM438908;MM438908;C#CC(=C)NC=NN=C;GQAGASNZKZQZAZ-UHFFFAOYSA-N;121.14;0.37;;;;;DOPC;MDCG;27;0;"MARTINI bead: N0_Nd";;;;;;;1.17;;-1.04;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM438909;MM438909;C#CCCC=C(C=C)CC;VVWKHZXDMICULP-UHFFFAOYSA-N;134.22;2.92;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1_C5";;;;;;;3.68;;0.46;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM438910;MM438910;C=CC(CN)NC1CC1O;LUFLGNVIFHZFMR-UHFFFAOYSA-N;142.2;-0.78;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_SP2";;;;;;;-0.24;;-5.15;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM438911;MM438911;CC#CC1C=CN(C=O)O1;BTPHCWXZTCRTDH-UHFFFAOYSA-N;137.14;0.3;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP1_SP2";;;;;;;-1.06;;-3.82;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM438912;MM438912;CC(=O)CCC1CN1C;WISQEEWFANIUIJ-UHFFFAOYSA-N;127.19;0.67;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNd_P1";;;;;;;0.04;;-2.63;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM438913;MM438913;CC=C1C=NN(CC)C1C;NGCHFLICGUSWFG-UHFFFAOYSA-N;138.21;1.64;;;;;DOPC;MDCG;27;0;"MARTINI bead: SN0_SN0";;;;;;;1.47;;-0.05;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM438914;MM438914;COC=CCOC(C)=NN;BQLWDNQFSQVUFB-UHFFFAOYSA-N;144.17;0.46;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_P2";;;;;;;0.54;;-1.09;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM438915;MM438915;C#CCCC=C(C=O)CC;DTVWOHYMPMEOKP-UHFFFAOYSA-N;136.19;1.94;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_C5";;;;;;;1.64;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM438916;MM438916;O=CC(=CNN1CC1)N=O;YVMGRQYSMLAJOC-UHFFFAOYSA-N;141.13;-0.39;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_SP3";;;;;;;-1.1;;-4.2;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM438917;MM438917;C=CC(=N)N1CC1C#CC;ZUTDGUXWUBYTDA-UHFFFAOYSA-N;134.18;0.86;;;;;DOPC;MDCG;27;1;"MARTINI bead: SP1_P2";;;;;;;-1.06;;-5.66;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM438918;MM438918;C#CC1C=CC(C#CC)C1;IIQIDBAIDHFFKR-UHFFFAOYSA-N;130.19;1.84;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC4_SC5";;;;;;;2.97;;0.45;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM438919;MM438919;CCN1N=CC(=CF)C1C;AOTBEDYSVRFRDH-UHFFFAOYSA-N;142.18;1.55;;;;;DOPC;MDCG;27;0;"MARTINI bead: SN0_SP1";;;;;;;0.34;;-1.53;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM438920;MM438920;C#CC(N)CC1CC1C=C;CWWSLGJLPRQFSU-UHFFFAOYSA-N;135.21;1.16;;;;;DOPC;MDCG;27;1;"MARTINI bead: P2_SC4";;;;;;;1.09;;-2.15;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM438921;MM438921;C#CCCC=C(C#N)CC;OFHLFOWNQIYLPP-UHFFFAOYSA-N;133.19;2.26;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_C5";;;;;;;2.41;;0.64;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM438922;MM438922;CCC(C#N)NC1CC1F;VQDZMDPVYQTSQE-UHFFFAOYSA-N;142.18;0.99;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_SNa";;;;;;;0.04;;-2.54;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM438923;MM438923;C#CC1C=CC(C#CC)O1;GAFAWJYYFKGSQZ-UHFFFAOYSA-N;132.16;0.97;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC5_SN0";;;;;;;1.94;;0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM438924;MM438924;CC#CC1CN1C(=N)C#N;AYUMIAOCBPVYDJ-UHFFFAOYSA-N;133.15;0.19;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP1_P2";;;;;;;-1.06;;-3.82;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM438925;MM438925;CCN1N=CC(=NO)C1C;DGIXPVQALGHDFT-UHFFFAOYSA-N;141.17;0.53;;;;;DOPC;MDCG;27;0;"MARTINI bead: SN0_SP2";;;;;;;0.06;;-2.21;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM438926;MM438926;C#CC(O)CC1CC1C=C;PWNBMEAEIRTBPZ-UHFFFAOYSA-N;136.19;1.19;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_SC4";;;;;;;1.37;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM438927;MM438927;C#CCCC=C(C=C)CN;ZEDBHOCZHPAIJR-UHFFFAOYSA-N;135.21;1.47;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_C5";;;;;;;1.64;;-2.1;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM438928;MM438928;CCC12C=CC(C=O)N1C2;OHNMTGBIRTYPSY-UHFFFAOYSA-N;137.18;0.59;;;;;DOPC;MDCG;27;0;"MARTINI bead: SN0_SP2";;;;;;;0.06;;-2.21;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM438929;MM438929;C=CC(=O)N1CC1C#CC;NWLMHRGKHKAPGV-UHFFFAOYSA-N;135.17;0.41;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP1_P2";;;;;;;-1.06;;-3.82;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM438930;MM438930;CC=C1C=CC(CCN)C1;MMSKRALIBQDAJT-UHFFFAOYSA-N;137.23;1.86;;;;;DOPC;MDCG;27;1;"MARTINI bead: SC3_SC5";;;;;;;3.34;;0.34;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM438931;MM438931;CNN=C1C=C(C)CC1;DBCWIYTULKNSQG-UHFFFAOYSA-N;124.19;1.3;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNd_SC4";;;;;;;2.2;;0.32;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM438932;MM438932;C#CC(F)CC1CC1C=C;PXBSSHNOVSHBCL-UHFFFAOYSA-N;138.19;2.17;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_SC4";;;;;;;2.97;;0.45;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM438933;MM438933;C#CCCC=C(C=C)CO;SKKUYEYMNPGJCZ-UHFFFAOYSA-N;136.19;1.5;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda_C5";;;;;;;1.64;;0.05;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM438934;MM438934;C=CC(CC)OC1CC1C;TZRHWEYKDRKDSI-UHFFFAOYSA-N;140.23;2.38;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1_SNa";;;;;;;2.91;;0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM438935;MM438935;C#CC(=C)C1CC1C#CC;BNAXLHQAFCUEHH-UHFFFAOYSA-N;130.19;1.84;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC4_C5";;;;;;;2.97;;0.45;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM438936;MM438936;NCCC1C=CC(=CF)C1;PRQLNVSHPFTIQD-UHFFFAOYSA-N;141.19;1.76;;;;;DOPC;MDCG;27;1;"MARTINI bead: SC5_SC4";;;;;;;2.97;;-0.05;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM438937;MM438937;CCn1ncc(=NO)n1C;VCGDRXSZKUHKQK-UHFFFAOYSA-N;142.16;-0.47;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP2_SP3";;;;;;;-2.2;;-5.19;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM438938;MM438938;C#CC(C)NC1CC1C=C;SNMPIVYVYHMGSZ-UHFFFAOYSA-N;135.21;1.17;;;;;DOPC;MDCG;27;1;"MARTINI bead: C5_SNd";;;;;;;1.64;;-1.55;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM438939;MM438939;CCC(C=O)OC1CC1C;RNKYRQGOMDJCFY-UHFFFAOYSA-N;142.2;1.39;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_SNa";;;;;;;1.64;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM438940;MM438940;C#CCCC=C(C=O)CO;GIARIMJWTNWYPO-UHFFFAOYSA-N;138.17;0.52;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_C5";;;;;;;0.54;;-1.09;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM438941;MM438941;C#CC(=C)C1NC1C#CC;WJCCOJOLCNDNRL-UHFFFAOYSA-N;131.18;0.54;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP1_N0";;;;;;;0.34;;-1.53;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM438942;MM438942;CC=C1C=CC(CNC)C1;JUBYWTROYUJYPA-UHFFFAOYSA-N;137.23;1.73;;;;;DOPC;MDCG;27;1;"MARTINI bead: SNd_SC3";;;;;;;2.57;;-1.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM438943;MM438943;CC(C)C(O)CC1CC1;KTUFQGPKOWLMQV-UHFFFAOYSA-N;128.22;1.8;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda_SC5";;;;;;;1.64;;0.05;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM438944;MM438944;C#CC(C)OC1CC1C#N;LPZGUYSLWVSVGB-UHFFFAOYSA-N;135.17;0.94;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_SP2";;;;;;;0.54;;-1.09;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM438945;MM438945;C=CC(CN)OC1CC1C;UTZHNTKEEYHZKP-UHFFFAOYSA-N;141.21;0.92;;;;;DOPC;MDCG;27;1;"MARTINI bead: SNa_Nd";;;;;;;0.87;;-3.91;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM438946;MM438946;C=CC1=NNC(=N)C1=C;ITEJKFVLDLPJML-UHFFFAOYSA-N;121.14;0.67;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP1_SP1";;;;;;;-0.79;;-3.13;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM438947;MM438947;C#CCCC=C(C#N)CO;IJWHQNJYGKRTBP-UHFFFAOYSA-N;135.17;0.84;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_C5";;;;;;;0.81;;-0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM438948;MM438948;CNc1nnn(C)c1N;FVKVJAZSLNUZGK-UHFFFAOYSA-N;127.15;-0.56;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP1_SP2";;;;;;;-1.06;;-3.82;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM438949;MM438949;CNCC1C=CC(=CF)C1;GOELANLLSRVVBC-UHFFFAOYSA-N;141.19;1.64;;;;;DOPC;MDCG;27;1;"MARTINI bead: SNd_SC4";;;;;;;2.2;;-2.61;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM438950;MM438950;C#CC(C)CC1NC1C#N;PAQKFTSHYHTOIF-UHFFFAOYSA-N;134.18;0.51;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_SP2";;;;;;;0.54;;-1.09;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM438951;MM438951;C=CC(CO)OC1CC1C;OBKYSXQCZFAMRG-UHFFFAOYSA-N;142.2;0.96;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNa_Nda";;;;;;;0.87;;-1.99;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM438952;MM438952;C#CCCC=C(C=C)CF;HSYOVJATLILDMZ-UHFFFAOYSA-N;138.19;2.48;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4_C5";;;;;;;2.97;;0.45;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM438953;MM438953;CC=C(C)C1CC1CCC;ACZZMXXJZXZZLV-UHFFFAOYSA-N;138.25;3.39;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC2_C1";;;;;;;4.87;;0.53;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM438954;MM438954;CCC(=NOC=NN)OC;BXACFIYZHCCNRN-UHFFFAOYSA-N;145.16;0.27;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_P1";;;;;;;0.81;;-0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM438955;MM438955;C#CC(C)CC1OC1C=C;PAEMKVVDWUWOLF-UHFFFAOYSA-N;136.19;1.6;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_SNa";;;;;;;1.64;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM438956;MM438956;CN=NC=C(CF)NN;VDYSTYOKVXWFSX-UHFFFAOYSA-N;132.14;0.34;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4_P3";;;;;;;0.23;;-1.03;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM438957;MM438957;CC1CC1OC(C#N)CF;ZFTGNXFUHAFILW-UHFFFAOYSA-N;143.16;1.27;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNa_Na";;;;;;;0.87;;-2.22;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM438958;MM438958;C#CCCC=C(C=O)CF;XGNVGRGRNJPTOK-UHFFFAOYSA-N;140.16;1.49;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_C5";;;;;;;1.64;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM438959;MM438959;CC=C(C)C1CC1CCN;MIBDDNSRHLIRMS-UHFFFAOYSA-N;139.24;1.94;;;;;DOPC;MDCG;27;1;"MARTINI bead: C1_SNd";;;;;;;2.91;;-0.55;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM438960;MM438960;NCCC1C=CC(=NO)C1;RVSPQDIDHARKBN-UHFFFAOYSA-N;140.19;0.74;;;;;DOPC;MDCG;27;1;"MARTINI bead: SC5_SNda";;;;;;;1.64;;-2.62;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM438961;MM438961;C#CC(C)CC1OC1C#N;BRHKPGQSTNHMDI-UHFFFAOYSA-N;135.17;0.94;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_SNa";;;;;;;1.64;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM438962;MM438962;CCC(C)C1NC1C=O;QIFDMWVOMCEDDJ-UHFFFAOYSA-N;127.19;0.57;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1_SP2";;;;;;;1.8;;0.42;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM438963;MM438963;C=CC(CC)OC1CC1N;CXUNQDIYKJKFQX-UHFFFAOYSA-N;141.21;1.07;;;;;DOPC;MDCG;27;1;"MARTINI bead: C1_SP2";;;;;;;1.8;;-0.74;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM438964;MM438964;C#CCCC=C(C#N)CF;QVHSVVRCYSYOQC-UHFFFAOYSA-N;137.16;1.82;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_C5";;;;;;;1.64;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM438965;MM438965;N#CC1=C(N)C(=O)C=N1;HXQBJHLWNHTVBZ-UHFFFAOYSA-N;121.1;-0.67;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP1_SNa";;;;;;;0.04;;-2.54;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM438966;MM438966;C#CC(C)CC1CN1C=N;IAKVNBSCTHTNFA-UHFFFAOYSA-N;136.2;0.94;;;;;DOPC;MDCG;27;1;"MARTINI bead: C5_SP1";;;;;;;0.81;;-3.73;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM438967;MM438967;CCn1ncc(=NO)n1O;RZVXZEIFXQIQDS-UHFFFAOYSA-N;144.13;-0.77;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP2_SP3";;;;;;;-2.2;;-5.19;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM438968;MM438968;CNCC1C=CC(=NO)C1;RILSGQWJXIBNFB-UHFFFAOYSA-N;140.19;0.61;;;;;DOPC;MDCG;27;1;"MARTINI bead: SNd_SNda";;;;;;;0.87;;-4.96;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM438969;MM438969;CC(=CF)C1CC1CCN;RCMVBLFEJFAKHQ-UHFFFAOYSA-N;143.21;1.84;;;;;DOPC;MDCG;27;1;"MARTINI bead: C4_SNd";;;;;;;2.2;;-2.21;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM438970;MM438970;C=CC(CC)OC1CC1O;DNDCZKAXDWODJI-UHFFFAOYSA-N;142.2;1.1;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1_SP2";;;;;;;1.8;;0.4;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM438971;MM438971;C#CCCC=C(C=C)OC;MOFBITIEGOSART-UHFFFAOYSA-N;136.19;2.12;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4_C5";;;;;;;2.97;;0.45;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM438972;MM438972;CC=C1C=CC(NCC)C1;GBILOXUAIGRAPT-UHFFFAOYSA-N;137.23;1.87;;;;;DOPC;MDCG;27;1;"MARTINI bead: SC5_SC3";;;;;;;3.34;;0.53;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM438973;MM438973;C#CC(N)CC1CN1C=N;LCJVHHMUIMTWOT-UHFFFAOYSA-N;137.19;-0.37;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1_SP2";;;;;;;-1.06;;-7.01;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM438974;MM438974;C#CCCC1NC1C=O;KHFZRDCPPMYIIQ-UHFFFAOYSA-N;123.16;-0.06;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP2_C5";;;;;;;0.54;;-1.09;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM438975;MM438975;C#CCCC=C(C#N)OC;PXOMDLIRHBKAQK-UHFFFAOYSA-N;135.17;1.45;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_C5";;;;;;;1.64;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM438976;MM438976;CC=C(F)C1CC1CCC;ZEQRDIGZAYLMDM-UHFFFAOYSA-N;142.22;3.3;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC2_C3";;;;;;;4.53;;0.32;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM438977;MM438977;CCC(C=O)OC1CC1O;ZYHWHXVTJXDMTA-UHFFFAOYSA-N;144.17;0.11;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_SP2";;;;;;;0.54;;-1.09;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM438978;MM438978;CCNC1C=CC(=CF)C1;NJNJFXKSLPCOKV-UHFFFAOYSA-N;141.19;1.78;;;;;DOPC;MDCG;27;1;"MARTINI bead: SC5_SC4";;;;;;;2.97;;0.26;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM438979;MM438979;C#CC(F)CC1CN1C=N;QIGHZRABRNFHEP-UHFFFAOYSA-N;140.16;0.64;;;;;DOPC;MDCG;27;1;"MARTINI bead: C5_SP2";;;;;;;0.54;;-4.26;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM438980;MM438980;CCn1nnc(=NO)n1C;CQILYCDEUBPLSE-UHFFFAOYSA-N;143.15;-1.07;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP2_SP3";;;;;;;-2.2;;-5.19;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM438981;MM438981;C#CCNC=C(C#N)CC;HDOLDNFJHHZFSX-UHFFFAOYSA-N;134.18;1.03;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_P2";;;;;;;0.54;;-1.09;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM438982;MM438982;C=CC(CN)OC1CC1O;BZAPFMQTNKDEPT-UHFFFAOYSA-N;143.19;-0.35;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_SP2";;;;;;;-0.24;;-5.18;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM438983;MM438983;CC=C(F)C1CC1CCN;LONJKMJTKOGFEN-UHFFFAOYSA-N;143.21;1.84;;;;;DOPC;MDCG;27;1;"MARTINI bead: C3_SNd";;;;;;;2.57;;-1.51;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM438984;MM438984;CCC(O)C(C)C1CC1;DMYWFHDVPAWJED-UHFFFAOYSA-N;128.22;1.8;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda_SC3";;;;;;;2.57;;0.44;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM438985;MM438985;C=CC=CCOC(C)=NN;XCQCVJYCBRPQKZ-UHFFFAOYSA-N;140.19;1.04;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_C1";;;;;;;1.8;;0.4;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM438986;MM438986;CCNC1C=CC(=NN)C1;WIDKBVMEDHQJIO-UHFFFAOYSA-N;139.2;0.24;;;;;DOPC;MDCG;27;1;"MARTINI bead: SC5_SNd";;;;;;;1.64;;-1.81;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM438987;MM438987;C#CCNC=C(C=O)CO;OBLNFQAWMRFSFM-UHFFFAOYSA-N;139.15;-0.72;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_P1";;;;;;;-1.06;;-3.82;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM438988;MM438988;N#CC(CO)OC1CC1O;WTXFYZHWYAZJEV-UHFFFAOYSA-N;143.14;-0.98;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_SP2";;;;;;;-1.34;;-4.31;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM438989;MM438989;C=CCCN=CNN=C;RINCWOPINBDLDU-UHFFFAOYSA-N;125.18;0.8;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4_P1";;;;;;;1.37;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM438990;MM438990;C#CC(F)CC1CN1N=C;MJGPWRSLJVYKCH-UHFFFAOYSA-N;140.16;0.65;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_SP2";;;;;;;0.54;;-1.09;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM438991;MM438991;C#CC(=C)CC(C)(O)CC;JNFZNXXMTWPOTH-UHFFFAOYSA-N;138.21;1.73;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda_C5";;;;;;;1.64;;0.05;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM438992;MM438992;CCNC1C=CC(=NO)C1;RCBLYDVGQUGJPV-UHFFFAOYSA-N;140.19;0.75;;;;;DOPC;MDCG;27;1;"MARTINI bead: SC5_SNda";;;;;;;1.64;;-1.76;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM438993;MM438993;C#CCNC=C(C=O)OC;XWCYZMXFLQMQOK-UHFFFAOYSA-N;139.15;-0.1;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_P2";;;;;;;-0.24;;-3.24;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM438994;MM438994;CC=C(C)C1CC1CNC;PVYJYXUQHHPZCA-UHFFFAOYSA-N;139.24;1.81;;;;;DOPC;MDCG;27;1;"MARTINI bead: SNd_C1";;;;;;;2.91;;-0.92;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM438995;MM438995;CCC(C=O)OC1CC1F;ZZTVWIPPOIDSNN-UHFFFAOYSA-N;146.16;1.09;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_SP1";;;;;;;0.81;;-0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM438996;MM438996;C#CC(C)CN1CC1C=C;XXUQULIAXQJDGN-UHFFFAOYSA-N;135.21;1.13;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4_SP1";;;;;;;1.37;;-0.05;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM438997;MM438997;CCCC1(C)CC1(O)CC;ONNJQIIHGYHKCD-UHFFFAOYSA-N;142.24;2.34;;;;;DOPC;MDCG;27;0;"MARTINI bead: C3_SNda";;;;;;;2.57;;0.44;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM438998;MM438998;CCCC1C=CC(NC)=N1;AVMUVMIRHCDYJG-UHFFFAOYSA-N;138.21;1.34;;;;;DOPC;MDCG;27;1;"MARTINI bead: SC4_SNd";;;;;;;2.2;;-2.51;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM438999;MM438999;C#CCNC=C(C#N)OC;XPWTYSRZCBWVGC-UHFFFAOYSA-N;136.15;0.22;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_N0";;;;;;;0.34;;-1.53;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM439000;MM439000;CNCC1CC1C(C)=CF;DOYVKYBMUBCNBL-UHFFFAOYSA-N;143.21;1.72;;;;;DOPC;MDCG;27;1;"MARTINI bead: SNd_C4";;;;;;;2.2;;-2.6;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM439001;MM439001;C=CC(CN)OC1CC1F;FWFJXSPJMMVAHQ-UHFFFAOYSA-N;145.18;0.63;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_SP1";;;;;;;0.04;;-4.66;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM439002;MM439002;C#CC(C)CN1CC1C#N;KJLPFPMUHGLSMC-UHFFFAOYSA-N;134.18;0.46;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_SP1";;;;;;;0.81;;-0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM439003;MM439003;CCn1nnc(=NO)n1O;VJMRFVZDHHYVTI-UHFFFAOYSA-N;145.12;-1.37;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP2_SP3";;;;;;;-2.2;;-5.19;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM439004;MM439004;CN=C1C=CC(CCN)N1;IKRGDTJKIRIBAX-UHFFFAOYSA-N;139.2;-0.11;;;;;DOPC;MDCG;27;1;"MARTINI bead: SNd_SP1";;;;;;;0.04;;-5.79;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM439005;MM439005;C#CCOC=C(C=C)CC;VIHFEWFSJBVOFB-UHFFFAOYSA-N;136.19;2.12;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1_P2";;;;;;;1.8;;0.4;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM439006;MM439006;CC=C(F)C1CC1CNC;ACEWAJLBQMDVMS-UHFFFAOYSA-N;143.21;1.72;;;;;DOPC;MDCG;27;1;"MARTINI bead: SNd_C3";;;;;;;2.57;;-1.88;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM439007;MM439007;C=CC(CO)OC1CC1F;BPYCLGAYISQCQP-UHFFFAOYSA-N;146.16;0.66;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda_SP1";;;;;;;0.04;;-2.73;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM439008;MM439008;C#CC1CC1CC(C)CN;KEFYYICBMQDLIX-UHFFFAOYSA-N;137.23;1.24;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_SC5";;;;;;;1.64;;-2.72;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM439009;MM439009;C=CC1C=CC(=CF)C1C;LLKDGYQVQYHRCO-UHFFFAOYSA-N;138.19;2.85;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC4_SC4";;;;;;;3.53;;0.53;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM439010;MM439010;CCCC1C=CC(NN)=N1;SZQPCPODWOSEOF-UHFFFAOYSA-N;139.2;0.59;;;;;DOPC;MDCG;27;1;"MARTINI bead: SC4_SP1";;;;;;;1.37;;-1.36;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM439011;MM439011;C#CCOC=C(C#N)CC;HYXWFQGDSCJDBD-UHFFFAOYSA-N;135.17;1.45;;;;;DOPC;MDCG;27;0;"MARTINI bead: N0_Na";;;;;;;1.17;;-1.18;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM439012;MM439012;CC(=NO)C1CC1CCN;QCXIJORQZDGQIS-UHFFFAOYSA-N;142.2;0.82;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nda_SNd";;;;;;;0.87;;-4.54;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM439013;MM439013;C=CC(CF)OC1CC1F;BSHYPNGKXAJMML-UHFFFAOYSA-N;148.15;1.64;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_SP1";;;;;;;0.81;;-0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM439014;MM439014;C=NN=CCOC(C)=NN;LURLPGHHVIJLJQ-UHFFFAOYSA-N;142.16;-0.02;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_C5";;;;;;;0.54;;-1.09;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM439015;MM439015;CC=C1C=CC(C#N)C1C;DCRCUGNQDBMCQD-UHFFFAOYSA-N;133.19;2.28;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC2_SN0";;;;;;;3.13;;0.3;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM439016;MM439016;CC=C1C=CC(CCC)O1;MBAMXLWJKXSSNX-UHFFFAOYSA-N;138.21;2.65;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC5_SC5";;;;;;;2.41;;0.64;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM439017;MM439017;C=CC(OC)OC1CC1N;WFLQYUWSBUAAJV-UHFFFAOYSA-N;143.19;0.26;;;;;DOPC;MDCG;27;1;"MARTINI bead: Na_SP2";;;;;;;-0.24;;-5.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM439018;MM439018;C#CCOC=C(C=O)CO;YRMLUUJPTSMDFA-UHFFFAOYSA-N;140.14;-0.29;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_Na";;;;;;;-0.24;;-3.24;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM439019;MM439019;CNCC1CC1C(C)=NO;ZEBHUSLPJNVJBB-UHFFFAOYSA-N;142.2;0.69;;;;;DOPC;MDCG;27;1;"MARTINI bead: SNd_Nda";;;;;;;0.87;;-5.89;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM439020;MM439020;C#CC1CC1CC(C)CF;AXBDIJWOTKPPFR-UHFFFAOYSA-N;140.2;2.25;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4_SC5";;;;;;;2.97;;0.45;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM439021;MM439021;COC(CF)=NOC=NN;QBZOPYOGNLDJHI-UHFFFAOYSA-N;149.13;-0.17;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_P1";;;;;;;0.04;;-2.54;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM439022;MM439022;CC1C(=CF)C=CC1C=O;DGQDDHQPFLEHJR-UHFFFAOYSA-N;140.16;1.86;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNa_SC4";;;;;;;2.2;;0.34;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM439023;MM439023;C=CC(OC)OC1CC1O;LOVXVALFARABRL-UHFFFAOYSA-N;144.17;0.29;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_SP2";;;;;;;-0.24;;-3.24;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM439024;MM439024;C#CCOC=C(C=C)CF;CPXROSOFSZKGDA-UHFFFAOYSA-N;140.16;1.68;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4_P2";;;;;;;1.09;;-0.38;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM439025;MM439025;CCNC1CC1C(C)=CF;SNAISNABELWJGS-UHFFFAOYSA-N;143.21;1.86;;;;;DOPC;MDCG;27;1;"MARTINI bead: SNd_C4";;;;;;;2.2;;-2.19;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM439026;MM439026;C=CC(=NOC=NN)OC;UMPKBOAVIKSTSO-UHFFFAOYSA-N;143.15;0.05;;;;;DOPC;MDCG;27;0;"MARTINI bead: N0_P1";;;;;;;0.34;;-1.53;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM439027;MM439027;C#CC1CC1CC(N)CC;WEBDZWBTOVJUKF-UHFFFAOYSA-N;137.23;1.38;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_SC5";;;;;;;1.64;;-2.93;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM439028;MM439028;CC1C(=CF)C=CC1C#N;VCUWHVCUJRDGKJ-UHFFFAOYSA-N;137.16;2.19;;;;;DOPC;MDCG;27;0;"MARTINI bead: SN0_SC4";;;;;;;2.5;;0.44;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM439029;MM439029;CC=C(F)C1CC1NCC;WUQDIRFYWPJHLU-UHFFFAOYSA-N;143.21;1.86;;;;;DOPC;MDCG;27;1;"MARTINI bead: SNd_C3";;;;;;;2.57;;-1.02;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM439030;MM439030;C=CC(OC)OC1CC1F;SZEOKBPOBPYSKK-UHFFFAOYSA-N;146.16;1.27;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_SP1";;;;;;;0.04;;-2.54;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM439031;MM439031;C#CCOC=C(C#N)CF;JGYBYKRSHARCCY-UHFFFAOYSA-N;139.13;1.01;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_Na";;;;;;;0.87;;-2.22;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM439032;MM439032;C#CC(=NOC=NN)OC;ZCHASBHQWQMJHB-UHFFFAOYSA-N;141.13;-0.5;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_P1";;;;;;;0.04;;-2.54;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM439033;MM439033;C#CC1CC1CC(N)CN;MRZNGUKTUDRRON-UHFFFAOYSA-N;138.21;-0.07;;;;;DOPC;MDCG;27;1;"MARTINI bead: P4_SC5";;;;;;;-0.41;;-5.1;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM439034;MM439034;CNC=NOC(=O)CNC;YYYRFXBVSQWCIK-UHFFFAOYSA-N;145.16;-1.09;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_P2";;;;;;;-1.06;;-3.82;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM439035;MM439035;CCNC1CC1C(C)=NN;UHXLOQSYLCKWJX-UHFFFAOYSA-N;141.22;0.32;;;;;DOPC;MDCG;27;1;"MARTINI bead: SNd_Nd";;;;;;;0.87;;-4.4;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM439036;MM439036;CCN(C=N)CC1CC1C;UMDNLAXMOOVCNJ-UHFFFAOYSA-N;140.23;1.57;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_SC5";;;;;;;1.64;;-4.18;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM439037;MM439037;C#CCOC=C(C=C)OC;CKNNJFFKQSKDFI-UHFFFAOYSA-N;138.17;1.31;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4_P2";;;;;;;1.09;;-0.38;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM439038;MM439038;C=CC1C=CC(=NO)C1C;ZHWYDILTAUQHKR-UHFFFAOYSA-N;137.18;1.82;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC4_SNda";;;;;;;2.2;;0.49;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM439039;MM439039;CC=C1C=NN(CCC)C1;BBAUQSSOCCLAFY-UHFFFAOYSA-N;138.21;1.64;;;;;DOPC;MDCG;27;0;"MARTINI bead: SN0_SN0";;;;;;;1.47;;-0.05;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM439040;MM439040;C#CC1CC1CC(N)CF;MDCMGKLDLVXHEY-UHFFFAOYSA-N;141.19;0.94;;;;;DOPC;MDCG;27;1;"MARTINI bead: P2_SC5";;;;;;;0.54;;-2.83;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM439041;MM439041;CCNC1CC1C(C)=NO;DXPGDRLNRJOATH-UHFFFAOYSA-N;142.2;0.83;;;;;DOPC;MDCG;27;1;"MARTINI bead: SNd_Nda";;;;;;;0.87;;-5.71;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM439042;MM439042;CCN(C=O)CC1CC1C;VFAMNIFLQQCFIE-UHFFFAOYSA-N;141.21;1.12;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_SC5";;;;;;;0.81;;-0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM439043;MM439043;C#CCNN=C(C=C)CC;ACNDVRQMWSNWIA-UHFFFAOYSA-N;136.2;1.16;;;;;DOPC;MDCG;27;0;"MARTINI bead: N0_Nd";;;;;;;1.17;;-1.04;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM439044;MM439044;CCCN1CC(=CF)C=N1;XMELHOZFSQNEHU-UHFFFAOYSA-N;142.18;1.55;;;;;DOPC;MDCG;27;0;"MARTINI bead: SN0_SP1";;;;;;;0.34;;-1.53;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM439045;MM439045;CC1C(=NO)C=CC1C#N;QJKCEYQTKAKSPJ-UHFFFAOYSA-N;136.15;1.16;;;;;DOPC;MDCG;27;0;"MARTINI bead: SN0_SNda";;;;;;;1.17;;-1.13;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM439046;MM439046;C#CC=CCOC(C)=NN;WRZFKDXFWQHJPG-UHFFFAOYSA-N;138.17;0.48;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_C4";;;;;;;1.09;;-0.38;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM439047;MM439047;CC=C(F)C1CC1OCC;AAIGFRQCJZMNMA-UHFFFAOYSA-N;144.19;2.28;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNa_C3";;;;;;;2.57;;0.45;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM439048;MM439048;CCN(C=N)CC1CC1N;QFLARQYVUPDAJD-UHFFFAOYSA-N;141.22;0.26;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_SP1";;;;;;;0.04;;-6.85;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM439049;MM439049;C=CC1CC(O)(C(=C)C)C1;QIPYINQOHBRPMH-UHFFFAOYSA-N;138.21;1.89;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNda_SC4";;;;;;;2.2;;0.49;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM439050;MM439050;C#CC(C=C)=NOC=NN;UNGCZGQNCJEFEQ-UHFFFAOYSA-N;137.14;0.08;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_C5";;;;;;;0.54;;-1.09;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM439051;MM439051;CON=C(C)CC#CC#N;RGKKSOFTVJDUQB-UHFFFAOYSA-N;136.15;0.93;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_N0";;;;;;;1.17;;-1.18;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM439052;MM439052;C#CC1CC1CC(O)CN;SZCMWWPXZDFSFH-UHFFFAOYSA-N;139.2;-0.03;;;;;DOPC;MDCG;27;1;"MARTINI bead: P3_SC5";;;;;;;-0.33;;-4.17;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM439053;MM439053;CC=C(F)C1NC1CCC;AADKPEBWXZILON-UHFFFAOYSA-N;143.21;2;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNd_C4";;;;;;;2.2;;0.32;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM439054;MM439054;CCN(C=O)CC1CC1N;VBFRLOLSACGVBJ-UHFFFAOYSA-N;142.2;-0.19;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1_SP1";;;;;;;-0.79;;-5.34;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM439055;MM439055;C#CCON=C(C#N)CC;FLHUMSNINDLHAH-UHFFFAOYSA-N;136.15;0.93;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_N0";;;;;;;1.17;;-1.18;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM439056;MM439056;CCCN1CC(=NO)C=N1;GMRLWKZTHSCGFN-UHFFFAOYSA-N;141.17;0.53;;;;;DOPC;MDCG;27;0;"MARTINI bead: SN0_SP2";;;;;;;0.06;;-2.21;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM439057;MM439057;CC=C1C=CN(C=N)C1C;CSLKFGRDRLFXAV-UHFFFAOYSA-N;136.2;1.76;;;;;DOPC;MDCG;27;1;"MARTINI bead: SN0_SNd";;;;;;;1.17;;-3.65;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM439058;MM439058;C#CC1CC1CC(O)CO;OHWXCRMZOMBJQO-UHFFFAOYSA-N;140.18;;;;;;DOPC;MDCG;27;0;"MARTINI bead: P3_SC5";;;;;;;-0.33;;-2.01;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM439059;MM439059;CC=C(F)C1NC1CCN;SHLJDZAHJJHMRB-UHFFFAOYSA-N;144.19;0.55;;;;;DOPC;MDCG;27;1;"MARTINI bead: C4_SP2";;;;;;;1.09;;-2.78;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM439060;MM439060;CCN(C=N)CC1CC1O;WVBJOACOQRKICW-UHFFFAOYSA-N;142.2;0.3;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_SP1";;;;;;;0.04;;-6.82;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM439061;MM439061;C#CC(=O)CN(C)CC=C;YUAXUXOOFWCYJC-UHFFFAOYSA-N;137.18;0.31;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_N0";;;;;;;0.34;;-1.53;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM439062;MM439062;CCCn1ccc(NC)n1;MPVGNRHGKICMLQ-UHFFFAOYSA-N;139.2;1.33;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC5_SNd";;;;;;;1.64;;0.02;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM439063;MM439063;CC1C(=CF)C=CN1C=N;ZSWQNIKIBDXYTA-UHFFFAOYSA-N;140.16;1.66;;;;;DOPC;MDCG;27;1;"MARTINI bead: SNd_SNa";;;;;;;0.87;;-4.36;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM439064;MM439064;C#CC1CC1CC(O)CF;MAXDDDGXLYQVSQ-UHFFFAOYSA-N;142.17;0.98;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_SC5";;;;;;;0.81;;-0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM439065;MM439065;CCCC1NC1C(F)=CF;BJRSSPNKHYYTJB-UHFFFAOYSA-N;147.17;1.91;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNd_C5";;;;;;;1.64;;0.02;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM439066;MM439066;CCN(C=O)CC1CC1O;ACQCYRFHCQETQI-UHFFFAOYSA-N;143.19;-0.15;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_SP1";;;;;;;-0.79;;-3.13;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM439067;MM439067;C#CCON=C(C#N)CO;JXLYNPOXLYOFQE-UHFFFAOYSA-N;138.13;-0.49;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_P2";;;;;;;-0.24;;-3.24;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM439068;MM439068;CC=C1C=CN(C=O)C1C;ANJAQPQFJKNYGZ-UHFFFAOYSA-N;137.18;1.31;;;;;DOPC;MDCG;27;0;"MARTINI bead: SN0_SNda";;;;;;;1.17;;-1.13;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM439069;MM439069;C=NNC(=N)C(C#N)=CF;CPTWFFIDPXVCOI-UHFFFAOYSA-N;140.12;0.55;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_Nd";;;;;;;0.87;;-1.88;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM439070;MM439070;C=C1CC(C)(O)CC1(C)C;UXFZCSKKARLNQJ-UHFFFAOYSA-N;140.23;2.11;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNda_SC1";;;;;;;2.91;;0.57;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM439071;MM439071;C#CC1CC1CC(F)CC;NBLLPDXHHVHSQI-UHFFFAOYSA-N;140.2;2.39;;;;;DOPC;MDCG;27;0;"MARTINI bead: C2_SC5";;;;;;;3.6;;0.34;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM439072;MM439072;CCN(C=N)CC1CC1F;FSNJYCPTKWFEAK-UHFFFAOYSA-N;144.19;1.27;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_SNa";;;;;;;0.87;;-6.1;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM439073;MM439073;C#CCON=C(C=C)CF;JPSABFCJUVJTDL-UHFFFAOYSA-N;141.15;1.15;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_N0";;;;;;;1.17;;-1.18;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM439074;MM439074;C=NN1C=CC(=NO)C1C;WEGWTKSZQUGJGX-UHFFFAOYSA-N;139.16;0.65;;;;;DOPC;MDCG;27;0;"MARTINI bead: SN0_SP2";;;;;;;0.06;;-2.21;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM439075;MM439075;C#CC=C(F)C(=NN)OC;JLWKQFRFJYAPIM-UHFFFAOYSA-N;142.13;0.39;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_C5";;;;;;;0.81;;-0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM439076;MM439076;CCCC1NC1C(C)=NN;HTKHZCPJTHNRRF-UHFFFAOYSA-N;141.22;0.46;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNd_Nd";;;;;;;0.87;;-2.11;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM439077;MM439077;C#CC1CC1CC(F)CO;UVTMMPMYACDCCS-UHFFFAOYSA-N;142.17;0.98;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_SC5";;;;;;;0.81;;-0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM439078;MM439078;C#CC(=O)CN(C)CC#N;JIRQDFVZNQHVDO-UHFFFAOYSA-N;136.15;-0.36;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_Na";;;;;;;-0.24;;-3.24;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM439079;MM439079;CCN(C=O)CC1CC1F;ZQTSRZDIIMOAQH-UHFFFAOYSA-N;145.18;0.82;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_SNa";;;;;;;0.04;;-2.54;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM439080;MM439080;CC=C1C=NN(C=N)C1C;WAWLVUHIMYIZBT-UHFFFAOYSA-N;137.19;1.23;;;;;DOPC;MDCG;27;0;"MARTINI bead: SN0_SP1";;;;;;;0.34;;-1.53;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM439081;MM439081;C=NNC=NCC(C)(C)C;JBRACOWWWBYFKG-UHFFFAOYSA-N;141.22;1.27;;;;;DOPC;MDCG;27;0;"MARTINI bead: C3_P1";;;;;;;1.74;;0.29;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM439082;MM439082;C=CCC1C=CC(=CC)C1;WAEDZNKGVSEXAA-UHFFFAOYSA-N;134.22;3.08;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC3_SC1";;;;;;;4.61;;0.31;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM439083;MM439083;C#CC1CC1CC(C)OC;SORIOVSJLLLVGP-UHFFFAOYSA-N;138.21;1.68;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_SC5";;;;;;;1.64;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM439084;MM439084;C#CC(=CCCCC)CC;GWLKITGUBABTQQ-UHFFFAOYSA-N;136.24;3.15;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1_C4";;;;;;;4.24;;0.42;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM439085;MM439085;C=NN(CC)CC1CC1C;SOXWNAGMKLHDQM-UHFFFAOYSA-N;140.23;1.58;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_SC5";;;;;;;0.81;;-0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM439086;MM439086;CC=C(C)C1OC1CCC;PSDMZCBUEIMQQY-UHFFFAOYSA-N;140.23;2.52;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNa_C2";;;;;;;2.83;;0.35;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM439087;MM439087;CC1C(C=N)=CNN1C=N;GNWDIQNSLPKCAY-UHFFFAOYSA-N;138.17;0.34;;;;;DOPC;MDCG;27;1;"MARTINI bead: SP2_SP3";;;;;;;-2.2;;-6.28;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM439088;MM439088;C=CCC1C=CC(=CF)C1;YUNFNQOXUVRJEC-UHFFFAOYSA-N;138.19;2.99;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC4_SC1";;;;;;;4.24;;0.42;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM439089;MM439089;C#CC1CC1NC(C)CO;ONHLWXURUOIVIR-UHFFFAOYSA-N;139.2;-0.02;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nda_SP1";;;;;;;0.04;;-4.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM439090;MM439090;C#CC(=CCCCN)CC;PNCQBHRQCHBFIZ-UHFFFAOYSA-N;137.23;1.69;;;;;DOPC;MDCG;27;1;"MARTINI bead: C4_Nd";;;;;;;2.2;;-2.21;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM439091;MM439091;C=NN(CC)CC1CC1N;BZLHQLMIJKNGMF-UHFFFAOYSA-N;141.22;0.27;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1_SP1";;;;;;;-0.79;;-5.44;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM439092;MM439092;CCCC1OC1C(C)=CF;GSFCLEXJWUWJGB-UHFFFAOYSA-N;144.19;2.43;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNa_C4";;;;;;;2.2;;0.34;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM439093;MM439093;CC1C(=CF)C=NN1C=N;JXTQRCXVEUKUNB-UHFFFAOYSA-N;141.15;1.14;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP1_SP1";;;;;;;-0.79;;-3.13;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM439094;MM439094;N#CCC1C=CC(=CF)C1;QVEKJMAUWUNRLL-UHFFFAOYSA-N;137.16;2.33;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC4_SC5";;;;;;;2.97;;0.45;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM439095;MM439095;C#CC1NC1CC(C)CC;RCKTXSPEFYCHEA-UHFFFAOYSA-N;137.23;1.4;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1_SP2";;;;;;;1.8;;0.43;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM439096;MM439096;C=CC(=O)OC(C)=NNC;UKLOYKRCXOUPIJ-UHFFFAOYSA-N;142.16;0.27;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_N0";;;;;;;0.34;;-1.53;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM439097;MM439097;N=C1C=NC(=NN)N1;MENPLJLDOFHVDK-UHFFFAOYSA-N;111.11;-1.13;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP2_SP2";;;;;;;-1.34;;-4.31;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM439098;MM439098;CC=C(F)C1OC1CCC;VZHFTZGSBABVKB-UHFFFAOYSA-N;144.19;2.43;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNa_C4";;;;;;;2.2;;0.34;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM439099;MM439099;C#CCC1=CCC(=NN)O1;WYCPZNKFKPIQRY-UHFFFAOYSA-N;136.15;0.59;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNda_SN0";;;;;;;1.17;;-1.13;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM439100;MM439100;CCOC(=CNN)N=NC;DHLDOSGWXJURQB-UHFFFAOYSA-N;144.18;0.37;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_P2";;;;;;;0.54;;-1.09;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM439101;MM439101;C#CC1NC1CC(C)CF;NASYFUCYPCTKQH-UHFFFAOYSA-N;141.19;0.96;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4_SP2";;;;;;;1.09;;-0.37;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM439102;MM439102;C#CC(=CCCCF)CC;MMYRDHJFFVJGKI-UHFFFAOYSA-N;140.2;2.71;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4_C4";;;;;;;3.53;;0.53;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM439103;MM439103;C=NN(CC)CC1CC1F;MOZSHQBDYGHCML-UHFFFAOYSA-N;144.19;1.28;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_SNa";;;;;;;0.04;;-2.54;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM439104;MM439104;C=NNC1C=CC(=CF)C1;KDUUVRGCRUMYGH-UHFFFAOYSA-N;140.16;1.37;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC4_SNd";;;;;;;2.2;;0.32;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM439105;MM439105;CC=C(F)C1OC1CCN;GNGQPOMUYOSOOL-UHFFFAOYSA-N;145.18;0.98;;;;;DOPC;MDCG;27;1;"MARTINI bead: C4_SP1";;;;;;;1.37;;-2.65;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM439106;MM439106;C#CC1NC1CC(N)CF;WPKNWXDPWRCLIA-UHFFFAOYSA-N;142.18;-0.35;;;;;DOPC;MDCG;27;1;"MARTINI bead: P2_SP2";;;;;;;-1.34;;-5.72;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM439107;MM439107;CC1C(=NO)C=NN1C=O;BERPFFYJSRVANZ-UHFFFAOYSA-N;141.13;-0.34;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP1_SP2";;;;;;;-1.06;;-3.82;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM439108;MM439108;C#CC(=CCCCC)CN;MTMYOZCESSEMOF-UHFFFAOYSA-N;137.23;1.69;;;;;DOPC;MDCG;27;1;"MARTINI bead: C1_Nd";;;;;;;2.91;;0.24;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM439109;MM439109;CCCC1OC1C(F)=CF;OVRSQKGCUJDSKU-UHFFFAOYSA-N;148.15;2.33;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNa_C5";;;;;;;1.64;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM439110;MM439110;CNN(C=N)CC1CC1C;IMAKNNBYBSYRQO-UHFFFAOYSA-N;141.22;0.69;;;;;DOPC;MDCG;27;1;"MARTINI bead: P4_SC5";;;;;;;-0.41;;-5.17;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM439111;MM439111;C=COC1C=CC(=CC)C1;OMDXBZYGZBYOFC-UHFFFAOYSA-N;136.19;2.42;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC3_SC4";;;;;;;3.9;;0.47;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM439112;MM439112;C#CC1NC1CC(F)CC;PGCQUGQSVQIASA-UHFFFAOYSA-N;141.19;1.1;;;;;DOPC;MDCG;27;0;"MARTINI bead: C2_SP3";;;;;;;0.86;;-0.29;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM439113;MM439113;Nc1cc(F)n(N)c(=O)n1;MLFDXFLMUOFCSV-UHFFFAOYSA-N;144.11;-1.32;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP1_SP2";;;;;;;-1.06;;-3.82;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM439114;MM439114;C#CC(=CCCCN)CN;XKYKEJVFAWLGMM-UHFFFAOYSA-N;138.21;0.24;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_P1";;;;;;;0.04;;-5.46;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM439115;MM439115;NCCC1OC1C(F)=CF;NEDHVRZDWLVCOG-UHFFFAOYSA-N;149.14;0.88;;;;;DOPC;MDCG;27;1;"MARTINI bead: SP1_C5";;;;;;;0.81;;-3.2;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM439116;MM439116;C#CC1OC1CC(C)CF;YROPMJGISNOHEZ-UHFFFAOYSA-N;142.17;1.38;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4_SNa";;;;;;;2.2;;0.34;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM439117;MM439117;CNN(C=O)CC1CC1C;BIXWSEJBIIMZCL-UHFFFAOYSA-N;142.2;0.24;;;;;DOPC;MDCG;27;0;"MARTINI bead: P3_SC5";;;;;;;-0.33;;-2.01;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM439118;MM439118;CN=C1C=CC(CC=O)N1;NMNKIJPFCZGBCV-UHFFFAOYSA-N;138.17;0.13;;;;;DOPC;MDCG;27;1;"MARTINI bead: SNd_SNa";;;;;;;0.87;;-4.89;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM439119;MM439119;C=Cn1ncc(=NO)n1C;KORJADORURSLJG-UHFFFAOYSA-N;140.15;-0.39;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP2_SP3";;;;;;;-2.2;;-5.19;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM439120;MM439120;C#CC(=CCCCC)CO;DJHYEPCHUSSMJZ-UHFFFAOYSA-N;138.21;1.73;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1_Nda";;;;;;;2.91;;0.57;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM439121;MM439121;CC=C(C)C1OC1CNC;XPSLUXKOQHFIKH-UHFFFAOYSA-N;141.21;0.94;;;;;DOPC;MDCG;27;1;"MARTINI bead: SP2_C2";;;;;;;1.72;;-1.54;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM439122;MM439122;C#CC1OC1CC(O)CN;QIEKGWXUXUCWAI-UHFFFAOYSA-N;141.17;-0.9;;;;;DOPC;MDCG;27;1;"MARTINI bead: P3_SNa";;;;;;;-1.1;;-6.35;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM439123;MM439123;CNN(C=N)CC1CC1N;KRDXTOZSHUQNBX-UHFFFAOYSA-N;142.21;-0.62;;;;;DOPC;MDCG;27;1;"MARTINI bead: P4_SP1";;;;;;;-2.01;;-7.57;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM439124;MM439124;C#CC(C)=NNC(=N)CF;RZFRHEVSHOENJW-UHFFFAOYSA-N;141.15;0.53;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_C5";;;;;;;0.54;;-1.09;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM439125;MM439125;C=CCC1C=CC(=CF)O1;UCDVTAMAMQHOIS-UHFFFAOYSA-N;140.16;2.33;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNa_SC5";;;;;;;1.64;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM439126;MM439126;C#CC(=CCCCC)CF;NKIWAZWLCRAPMG-UHFFFAOYSA-N;140.2;2.71;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1_C5";;;;;;;3.68;;0.46;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM439127;MM439127;CCCC1OC1C(C)=NN;AFKJRMBGYJOCRU-UHFFFAOYSA-N;142.2;0.89;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNa_Nd";;;;;;;0.87;;-1.88;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM439128;MM439128;CCC#CCOC(C)=NN;YLBFGLNCHYVJHP-UHFFFAOYSA-N;140.19;0.71;;;;;DOPC;MDCG;27;0;"MARTINI bead: C3_P2";;;;;;;1.46;;-0.15;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM439129;MM439129;CNN(C=O)CC1CC1N;OLVUGMBRQKJRSH-UHFFFAOYSA-N;143.19;-1.07;;;;;DOPC;MDCG;27;1;"MARTINI bead: P3_SP1";;;;;;;-1.93;;-6.89;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM439130;MM439130;C=CCC1=CC(=NN)CC1;QNILPEVJMPKCLQ-UHFFFAOYSA-N;136.2;1.6;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNd_SC3";;;;;;;2.57;;0.53;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM439131;MM439131;Cn1c(=NO)cnn1C=N;MAOPLOOHESFFOP-UHFFFAOYSA-N;141.13;-1.03;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP2_SP3";;;;;;;-2.2;;-5.19;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM439132;MM439132;CC(C)C(=O)C1NC1(C)C;SGXCQBKKFLZYSW-UHFFFAOYSA-N;141.21;0.96;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_SNd";;;;;;;0.87;;-1.88;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM439133;MM439133;C#CC1CC1CC(C)C=C;JEDVDUYUPQQQAX-UHFFFAOYSA-N;134.22;2.47;;;;;DOPC;MDCG;27;0;"MARTINI bead: C3_SC5";;;;;;;3.34;;0.48;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM439134;MM439134;CCCN1CC1C(C)=CF;MNHJZEKCKUCDBI-UHFFFAOYSA-N;143.21;1.95;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNd_C4";;;;;;;2.2;;0.33;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM439135;MM439135;C=CCC1C=CC(=NO)O1;CPGRJAGNHYFDCB-UHFFFAOYSA-N;139.15;1.31;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP1_SC5";;;;;;;0.81;;-0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM439136;MM439136;C#CC(=CCCNC)CC;JGFZEJSBMMQYNU-UHFFFAOYSA-N;137.23;1.57;;;;;DOPC;MDCG;27;1;"MARTINI bead: C4_Nd";;;;;;;2.2;;-2.47;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM439137;MM439137;CN=c1cnn(C=O)n1C;MNRUGXUBUDTQPL-UHFFFAOYSA-N;140.15;-1.21;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP3_SP3";;;;;;;-3.07;;-6.15;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM439138;MM439138;CNN(C=N)CC1CC1O;ZIAMMTGCYUENBB-UHFFFAOYSA-N;143.19;-0.59;;;;;DOPC;MDCG;27;1;"MARTINI bead: P4_SP1";;;;;;;-2.01;;-7.5;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM439139;MM439139;C#CC1CC1CC(C)C=O;WMQFHQAWURYNSS-UHFFFAOYSA-N;136.19;1.48;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_SC5";;;;;;;1.64;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM439140;MM439140;CC=C(F)C1CN1CCC;BQJNANQSPBMAEY-UHFFFAOYSA-N;143.21;1.95;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNd_C4";;;;;;;2.2;;0.32;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM439141;MM439141;CCn1nc(C)c(=NN)o1;BWXMNNOFXIUHHX-UHFFFAOYSA-N;142.16;-0.42;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP1_SP2";;;;;;;-1.06;;-3.82;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM439142;MM439142;C#CC(=CCCNC)CO;QNVJRVCPQWWNJQ-UHFFFAOYSA-N;139.2;0.15;;;;;DOPC;MDCG;27;1;"MARTINI bead: C5_P3";;;;;;;-0.33;;-4.98;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM439143;MM439143;CC1(C2(O)CC2)CC1;ZRNPOKCMZLXQIL-UHFFFAOYSA-N;112.17;1.31;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC5_SP1";;;;;;;0.81;;-0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM439144;MM439144;CC=NNC(=N)C#CC#N;FGPWURSCNAXACF-UHFFFAOYSA-N;134.14;0.09;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nd_Nd";;;;;;;0.87;;-2.11;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM439145;MM439145;C#CC1CC1CC(C)C#N;DWLFQEKPPXJPBS-UHFFFAOYSA-N;133.19;1.81;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_SC5";;;;;;;0.81;;-0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM439146;MM439146;CCCN1CC1C(F)=CF;BUVOVTDKGQMGGT-UHFFFAOYSA-N;147.17;1.86;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNd_C5";;;;;;;1.64;;0.02;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM439147;MM439147;N#CCN1C=CC(=NO)C1;FNKDKKYYOBUPHW-UHFFFAOYSA-N;137.14;0.17;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP2_SNd";;;;;;;-0.24;;-3.16;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM439148;MM439148;C#CC(=CCCOC)CC;VAFKNMAXDYXHHY-UHFFFAOYSA-N;138.21;1.99;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4_Na";;;;;;;2.2;;0.34;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM439149;MM439149;CNN(C=O)CC1CC1F;NHJXFHUPSCDNHM-UHFFFAOYSA-N;146.17;-0.06;;;;;DOPC;MDCG;27;0;"MARTINI bead: P3_SNa";;;;;;;-1.1;;-4.2;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM439150;MM439150;Cn1c(=NO)cnn1C=O;YKVLJUKPEIMGKI-UHFFFAOYSA-N;142.12;-1.45;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP3_SP3";;;;;;;-3.07;;-6.15;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM439151;MM439151;C#CC1CC1CC(N)C=C;ODAVBAJPXZDUIG-UHFFFAOYSA-N;135.21;1.16;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1_SC5";;;;;;;0.81;;-2.97;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM439152;MM439152;N=CNN1C=CC(=NN)C1;UNVASWRRNIGSHM-UHFFFAOYSA-N;139.16;-0.76;;;;;DOPC;MDCG;27;1;"MARTINI bead: SP2_SP2";;;;;;;-1.34;;-6.65;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM439153;MM439153;C#CC1CC(C)C(C)(O)C1;KRIBJBFNGJODTC-UHFFFAOYSA-N;138.21;1.42;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC4_SC5";;;;;;;2.97;;0.45;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM439154;MM439154;C#CC(=CCCOC)CN;RPVTYPVXDDPVSX-UHFFFAOYSA-N;139.2;0.54;;;;;DOPC;MDCG;27;1;"MARTINI bead: Na_Nd";;;;;;;0.87;;-3.67;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM439155;MM439155;CCCC1C(C)C1(O)CC;CYACUQOAGIOHHC-UHFFFAOYSA-N;142.24;2.19;;;;;DOPC;MDCG;27;0;"MARTINI bead: C3_SNda";;;;;;;2.57;;0.44;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM439156;MM439156;CON(C=N)CC1CC1C;JCSRNUQEMYHBLL-UHFFFAOYSA-N;142.2;1.11;;;;;DOPC;MDCG;27;1;"MARTINI bead: P2_SC5";;;;;;;0.54;;-2.13;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM439157;MM439157;CC(=NN)OCC#CCF;RIVVYDUCRNPQAI-UHFFFAOYSA-N;144.15;0.27;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda_Na";;;;;;;0.87;;-1.99;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM439158;MM439158;N=CNN1C=CC(=NO)C1;NXLROVVDVLZKOP-UHFFFAOYSA-N;140.15;-0.24;;;;;DOPC;MDCG;27;1;"MARTINI bead: SP2_SP2";;;;;;;-1.34;;-6.64;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM439159;MM439159;CC(=NO)N1CC1CCN;HZKSGEVDVVUDAU-UHFFFAOYSA-N;143.19;-0.17;;;;;DOPC;MDCG;27;1;"MARTINI bead: P2_SP2";;;;;;;-1.34;;-6.16;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM439160;MM439160;CON(C=O)CC1CC1C;FOEHPXYKBAXORB-UHFFFAOYSA-N;143.19;0.66;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_SC5";;;;;;;0.54;;-1.09;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM439161;MM439161;C=CCNN=C(C#N)CF;UPDSXQWZPRIAFF-UHFFFAOYSA-N;141.15;0.61;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_Nd";;;;;;;0.87;;-1.88;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM439162;MM439162;C#CC(=CCCOC)CO;KVRDZRJFGGQERZ-UHFFFAOYSA-N;140.18;0.57;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_Nda";;;;;;;0.87;;-1.99;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM439163;MM439163;C#CC1CC1CC(O)C=O;VISAPGQPYZZNDN-UHFFFAOYSA-N;138.17;0.21;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_SC5";;;;;;;0.54;;-1.09;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM439164;MM439164;CCC1CC1C1(O)CC1C;YQRZDWGIWZSLNK-UHFFFAOYSA-N;140.23;1.8;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC3_SNda";;;;;;;2.57;;0.44;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM439165;MM439165;CC=C(C)C1CC1CC=O;ITQWABFFDYSFKK-UHFFFAOYSA-N;138.21;2.18;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1_SNa";;;;;;;2.91;;0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM439166;MM439166;C#CC(=CCCOC)CF;LBGUIVHPKCGNAE-UHFFFAOYSA-N;142.17;1.55;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_C5";;;;;;;1.64;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM439167;MM439167;CON(C=N)CC1CC1N;QIOZUZUABJYAAF-UHFFFAOYSA-N;143.19;-0.2;;;;;DOPC;MDCG;27;1;"MARTINI bead: P2_SP1";;;;;;;-1.06;;-5.61;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM439168;MM439168;CN=c1cnn(C=N)n1N;MSVPVIXMVNDCGT-UHFFFAOYSA-N;140.15;-1.62;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP3_SP3";;;;;;;-3.07;;-6.15;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM439169;MM439169;N=c1c(=NN)occn1N;JNLATWHIGFEMKB-UHFFFAOYSA-N;141.13;-1.95;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP2_SP2";;;;;;;-1.34;;-4.31;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM439170;MM439170;C#CC1CC1CC(F)C=O;MKRZEXWOSWTJGQ-UHFFFAOYSA-N;140.16;1.18;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_SC5";;;;;;;0.81;;-0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM439171;MM439171;CC=C(C)C1CC1CC#N;VCKXEEMCNCBYAJ-UHFFFAOYSA-N;135.21;2.5;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1_SC5";;;;;;;3.68;;0.46;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM439172;MM439172;C#CC(=CCNCC)CC;ZSQYDWPTQTWUJS-UHFFFAOYSA-N;137.23;1.57;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_C4";;;;;;;2.2;;-1.73;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM439173;MM439173;CC1=CC(=NN)CC1;DMVYGYDNCRVKEC-UHFFFAOYSA-N;110.16;1.04;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC4_SNd";;;;;;;2.2;;0.32;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM439174;MM439174;CON(C=O)CC1CC1N;BOVSJZNZEKRNND-UHFFFAOYSA-N;144.17;-0.65;;;;;DOPC;MDCG;27;1;"MARTINI bead: P2_SP1";;;;;;;-1.06;;-6.02;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM439175;MM439175;C#CC1CC1CC(F)C#N;PBSSWLMMRDDZKG-UHFFFAOYSA-N;137.16;1.51;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_SC5";;;;;;;1.64;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM439176;MM439176;Cc1c(F)nnoc1=NN;YBKUYBXGFDBXPK-UHFFFAOYSA-N;144.11;-0.71;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP1_SP2";;;;;;;-1.06;;-3.82;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM439177;MM439177;CC(=CF)C1CC1CC=O;NMSDGSLKNUIIRT-UHFFFAOYSA-N;142.17;2.08;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4_SNa";;;;;;;2.2;;0.34;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM439178;MM439178;C#CC(=CCOCC)CC;DOFSWYJFMNFZCJ-UHFFFAOYSA-N;138.21;1.99;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_C4";;;;;;;2.2;;0.34;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM439179;MM439179;N=Cn1ncc(=NO)n1N;JXHVXMIVUOVWGS-UHFFFAOYSA-N;142.12;-1.86;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP3_SP3";;;;;;;-3.07;;-6.15;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM439180;MM439180;CON(C=O)CC1CC1O;SRDMLOCUPUOTTN-UHFFFAOYSA-N;145.16;-0.61;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_SP1";;;;;;;-1.06;;-3.82;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM439181;MM439181;C#CC1CC1OC(C)C#N;XZFDJULIIMTHAK-UHFFFAOYSA-N;135.17;0.94;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_SP1";;;;;;;-0.79;;-3.13;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM439182;MM439182;CCC(C=O)N1CC1CF;KIYKQUUOTOOENB-UHFFFAOYSA-N;145.18;0.62;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_SP1";;;;;;;-0.79;;-3.13;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM439183;MM439183;C=CCC1CC1C(F)=CC;FFKLUEXVIMYKNA-UHFFFAOYSA-N;140.2;3.07;;;;;DOPC;MDCG;27;0;"MARTINI bead: C3_SC4";;;;;;;3.9;;0.47;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM439184;MM439184;C#CC(=CCOCC)CN;KONIERAZFXHMEB-UHFFFAOYSA-N;139.2;0.54;;;;;DOPC;MDCG;27;1;"MARTINI bead: Na_Nd";;;;;;;0.87;;-3.66;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM439185;MM439185;CN=c1cnn(C=O)n1N;UTSQJNBYHCJYGF-UHFFFAOYSA-N;141.13;-2.03;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP3_SP4";;;;;;;-3.15;;-6.87;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM439186;MM439186;CON(C=O)CC1CC1F;ZPTIEMKMXNWQHV-UHFFFAOYSA-N;147.15;0.36;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_SNa";;;;;;;-0.24;;-3.24;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM439187;MM439187;C#CC1CC1CN(O)C=N;YMHXEZLGQJQEQR-UHFFFAOYSA-N;138.17;0.55;;;;;DOPC;MDCG;27;1;"MARTINI bead: P2_SC5";;;;;;;0.54;;-2.24;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM439188;MM439188;N#CCN1C=NC(=NO)C1;JBOHAIZOBQIIJW-UHFFFAOYSA-N;138.13;-0.36;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP3_SP1";;;;;;;-1.93;;-4.72;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM439189;MM439189;C=CCC1CC1C(C)=NN;BWTHBRCTHSTWGT-UHFFFAOYSA-N;138.21;1.53;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nd_SC4";;;;;;;2.2;;0.32;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM439190;MM439190;C#CC(=CCOCC)CO;OQGYGWCCZDOLEH-UHFFFAOYSA-N;140.18;0.57;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_Nda";;;;;;;0.87;;-1.99;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM439191;MM439191;CC(C)C1NC1C=O;YRQQECXMWRJHIN-UHFFFAOYSA-N;113.16;0.18;;;;;DOPC;MDCG;27;0;"MARTINI bead: C3_SP2";;;;;;;1.46;;-0.15;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM439192;MM439192;C#CC1CC1CN(O)C=O;GZEMFNJPUMHBJS-UHFFFAOYSA-N;139.15;0.1;;;;;DOPC;MDCG;27;0;"MARTINI bead: P3_SC5";;;;;;;-0.33;;-2.01;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM439193;MM439193;CCN(C=N)NC1CC1C;HXEDHNABEANRCS-UHFFFAOYSA-N;141.22;0.83;;;;;DOPC;MDCG;27;1;"MARTINI bead: P2_SC5";;;;;;;0.54;;-3.68;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM439194;MM439194;CN=C1CN(NC=N)C=N1;QUQJTVGNJUWWDO-UHFFFAOYSA-N;139.16;-0.53;;;;;DOPC;MDCG;27;1;"MARTINI bead: SP2_SP3";;;;;;;-2.2;;-7.29;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM439195;MM439195;CC(=NO)C1CC1CC=O;ZDBHVSBZDSDBCT-UHFFFAOYSA-N;141.17;1.06;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda_SNa";;;;;;;0.87;;-1.99;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM439196;MM439196;C#CC(=CCOCC)CF;SAMVFRXBVJKNBE-UHFFFAOYSA-N;142.17;1.55;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_C5";;;;;;;1.64;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM439197;MM439197;C#CC1CC1CN(C)N=C;ATIAVDIUEDRSSW-UHFFFAOYSA-N;136.2;0.8;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_SC5";;;;;;;0.81;;-0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM439198;MM439198;Nn1c(=NO)cnn1C=O;XLNLPOHCOIBHJS-UHFFFAOYSA-N;143.11;-2.27;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP4_SP3";;;;;;;-3.15;;-6.87;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM439199;MM439199;CCN(C=O)NC1CC1C;LRHQOYHKEMCJDX-UHFFFAOYSA-N;142.2;0.38;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_SC5";;;;;;;0.54;;-1.09;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM439200;MM439200;C=CCN1CC(=CC)C=N1;FYFNVRBLUWXUEZ-UHFFFAOYSA-N;136.2;1.42;;;;;DOPC;MDCG;27;0;"MARTINI bead: SN0_SN0";;;;;;;1.47;;-0.05;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM439201;MM439201;N=CNC1CC1C(F)=CF;DGSMECSAVCQGRF-UHFFFAOYSA-N;146.14;1.35;;;;;DOPC;MDCG;27;1;"MARTINI bead: C5_SP1";;;;;;;0.81;;-4.48;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM439202;MM439202;C#CC(=CCCCC)OC;PWLPPHIWJSSMEK-UHFFFAOYSA-N;138.21;2.34;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1_Na";;;;;;;2.91;;0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM439203;MM439203;C=CC#CCOC(C)=NN;ILLQYOBNEJNHBJ-UHFFFAOYSA-N;138.17;0.48;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_C4";;;;;;;1.09;;-0.38;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM439204;MM439204;C=C1CC(C)(O)CC1=C;GDFGCITYFTYDKV-UHFFFAOYSA-N;124.18;1.64;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNda_SC4";;;;;;;2.2;;0.49;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM439205;MM439205;CCN(C=N)NC1CC1N;WXPAFUYMYMIULQ-UHFFFAOYSA-N;142.21;-0.48;;;;;DOPC;MDCG;27;1;"MARTINI bead: P2_SP1";;;;;;;-1.06;;-6.42;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM439206;MM439206;CC=C1C=NN(CC#N)C1;LDRZPHXDBXWHGK-UHFFFAOYSA-N;135.17;0.76;;;;;DOPC;MDCG;27;0;"MARTINI bead: SN0_SP1";;;;;;;0.34;;-1.53;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM439207;MM439207;C=NNC1CC1C(C)=CC;RTKBWKJTGXDFKB-UHFFFAOYSA-N;138.21;1.55;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1_SNd";;;;;;;2.91;;0.63;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM439208;MM439208;C#CC(=CCCCN)OC;YORBPDJRDUIADT-UHFFFAOYSA-N;139.2;0.89;;;;;DOPC;MDCG;27;1;"MARTINI bead: Na_Nd";;;;;;;0.87;;-4.67;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM439209;MM439209;C#CC1NC1CC(C)C#N;OMBHXJGKOCQWGI-UHFFFAOYSA-N;134.18;0.51;;;;;DOPC;MDCG;27;0;"MARTINI bead: N0_SP3";;;;;;;-0.8;;-2.99;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM439210;MM439210;C#CC(C)(C#N)NN=C;PLNSYVRIBGFRPZ-UHFFFAOYSA-N;121.14;0.11;;;;;DOPC;MDCG;27;0;"MARTINI bead: N0_P1";;;;;;;0.34;;-1.53;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM439211;MM439211;CCN(C=O)NC1CC1N;YODPDAPDCZJONH-UHFFFAOYSA-N;143.19;-0.93;;;;;DOPC;MDCG;27;1;"MARTINI bead: P2_SP1";;;;;;;-1.06;;-5.17;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM439212;MM439212;N#CCN1CC(=CN)C=N1;IPKGHFUYNLEVEG-UHFFFAOYSA-N;136.16;-0.35;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP2_SP1";;;;;;;-1.06;;-3.82;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM439213;MM439213;C=NNC1CC1C(C)=NN;BGNYBXMSIAXEPF-UHFFFAOYSA-N;140.19;-0.09;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nd_SNd";;;;;;;0.87;;-2.11;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM439214;MM439214;C#CCC(=C)OC=NNC;ZJWYDBJAKPZULH-UHFFFAOYSA-N;138.17;0.7;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_C5";;;;;;;0.54;;-1.09;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM439215;MM439215;C#CC1NC1CC(N)C=C;MXVKOVNURCZPOR-UHFFFAOYSA-N;136.2;-0.14;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1_SP2";;;;;;;-1.06;;-5.96;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM439216;MM439216;C=Cn1ncc(=NO)n1O;CGHJJFKHWYLPCC-UHFFFAOYSA-N;142.12;-0.69;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP3_SP3";;;;;;;-3.07;;-6.15;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM439217;MM439217;C=CCN1CC(=CF)C=N1;YKVCHBWWJNXVHG-UHFFFAOYSA-N;140.16;1.33;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP1_SN0";;;;;;;0.34;;-1.53;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM439218;MM439218;CCN(C=N)NC1CC1O;KLYRYAWQFBTFSY-UHFFFAOYSA-N;143.19;-0.45;;;;;DOPC;MDCG;27;1;"MARTINI bead: P2_SP1";;;;;;;-1.06;;-6.4;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM439219;MM439219;C=COC1CC1C(C)=CC;XRYXOCKBCSRISZ-UHFFFAOYSA-N;138.21;2.5;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1_SNa";;;;;;;2.91;;0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM439220;MM439220;C#CC(=CCCOC)OC;XGIZNELDFPLBNK-UHFFFAOYSA-N;140.18;1.19;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_Na";;;;;;;0.87;;-2.22;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM439221;MM439221;CCC1CC(C)(C)C1O;SWOLODRDHMTKLO-UHFFFAOYSA-N;128.22;1.8;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNda_SC3";;;;;;;2.57;;0.44;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM439222;MM439222;C#CC1NC1CC(F)C=C;VJUWXHRCBJLQHS-UHFFFAOYSA-N;139.17;0.87;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4_SP3";;;;;;;0.23;;-1.03;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM439223;MM439223;CCN(C=N)NC1CC1F;UDALHFHFXQSHAX-UHFFFAOYSA-N;145.18;0.53;;;;;DOPC;MDCG;27;1;"MARTINI bead: P2_SNa";;;;;;;-0.24;;-5.82;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM439224;MM439224;N#CCN1CC(=CF)C=N1;WUCVHKRFVDLFJU-UHFFFAOYSA-N;139.13;0.66;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP1_SP1";;;;;;;-0.79;;-3.13;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM439225;MM439225;CC=C(C)C1NC1CC#N;FIUGGBJGIFVEDA-UHFFFAOYSA-N;136.2;1.21;;;;;DOPC;MDCG;27;0;"MARTINI bead: C2_SP2";;;;;;;1.72;;0.27;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM439226;MM439226;C#CC(=CCNCC)OC;IZGBBAUXDQRWQO-UHFFFAOYSA-N;139.2;0.76;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_Na";;;;;;;0.87;;-3.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM439227;MM439227;C#CC1NC1CN(C)C=N;ARTLMIQUNIXNGJ-UHFFFAOYSA-N;137.19;-0.5;;;;;DOPC;MDCG;27;1;"MARTINI bead: P2_SP3";;;;;;;-2.2;;-8.98;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM439228;MM439228;CCC1(C)CC(C)C1O;CSSUCDQUGQRKHN-UHFFFAOYSA-N;128.22;1.8;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC1_SNda";;;;;;;2.91;;0.57;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM439229;MM439229;NN=CON=c1occo1;DWLLALBJTPRRQZ-UHFFFAOYSA-N;143.1;-0.39;;;;;DOPC;MDCG;27;0;"MARTINI bead: P3_SP2";;;;;;;-2.2;;-5.19;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM439230;MM439230;CCN(C=O)NC1CC1F;JUQXXBHLFHWNNP-UHFFFAOYSA-N;146.17;0.08;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_SNa";;;;;;;-0.24;;-3.24;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM439231;MM439231;CC=C1CC(C)C(C)(O)C1;QUIQXIGAHZCFLC-UHFFFAOYSA-N;140.23;2.11;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC1_SC5";;;;;;;3.68;;0.46;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM439232;MM439232;C#CC(=CCOCC)OC;DQVAPJPCPXGTEZ-UHFFFAOYSA-N;140.18;1.19;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_Na";;;;;;;0.87;;-2.22;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM439233;MM439233;C#CC1NC1CN(C)C=O;KKFWSOBSCJSNAB-UHFFFAOYSA-N;138.17;-0.95;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_SP3";;;;;;;-2.2;;-5.19;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM439234;MM439234;N=Cn1ncc(=NO)n1O;LFWNSTNGTJHTSH-UHFFFAOYSA-N;143.11;-1.33;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP3_SP3";;;;;;;-3.07;;-6.15;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM439235;MM439235;C=CCN1CC(=NO)C=N1;MDCRDXACYQFNJP-UHFFFAOYSA-N;139.16;0.3;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP2_SN0";;;;;;;0.06;;-2.21;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM439236;MM439236;CCN(C=N)OC1CC1C;AKXJASWDCWZNQH-UHFFFAOYSA-N;142.2;1.26;;;;;DOPC;MDCG;27;1;"MARTINI bead: P2_SC5";;;;;;;0.54;;-2.21;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM439237;MM439237;CC(=CF)C1NC1CC#N;SBSGRJIEZXECOV-UHFFFAOYSA-N;140.16;1.11;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4_SP2";;;;;;;1.09;;-0.38;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM439238;MM439238;C#CC1NC1CN(C)N=C;WYAFUCWJAJTVPM-UHFFFAOYSA-N;137.19;-0.49;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_SP3";;;;;;;-1.93;;-4.72;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM439239;MM439239;C#CC(=COCCC)CC;JUVNCLRFWRBWPD-UHFFFAOYSA-N;138.21;2.34;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_C4";;;;;;;2.2;;0.34;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM439240;MM439240;C=CCNC(C)=NN=C;UGKFPEHXBMYONQ-UHFFFAOYSA-N;125.18;0.8;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_C5";;;;;;;0.81;;-0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM439241;MM439241;CCN(C=O)OC1CC1C;LUECPYXNMQIACG-UHFFFAOYSA-N;143.19;0.8;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_SC5";;;;;;;0.54;;-1.09;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM439242;MM439242;N#CCN1CC(=NO)C=N1;VVGHATWTAGKPQX-UHFFFAOYSA-N;138.13;-0.36;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP2_SP1";;;;;;;-1.06;;-3.82;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM439243;MM439243;C=CCC1NC1C(F)=CC;RHOGZCOLPWFLDX-UHFFFAOYSA-N;141.19;1.78;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4_SNd";;;;;;;2.2;;0.32;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM439244;MM439244;C#CC(=COCCF)CC;FDBVUVIEJURSQY-UHFFFAOYSA-N;142.17;1.9;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4_P2";;;;;;;1.09;;-0.38;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM439245;MM439245;C#CC1OC1CC(C)C=C;ZHFPYKXNGLELAM-UHFFFAOYSA-N;136.19;1.6;;;;;DOPC;MDCG;27;0;"MARTINI bead: C3_SNa";;;;;;;2.57;;0.45;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM439246;MM439246;C=CCn1ccc(NC)n1;DFRPQVJTSVUOJZ-UHFFFAOYSA-N;137.19;1.11;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNd_SNa";;;;;;;0.87;;-1.88;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM439247;MM439247;CCN(C=N)OC1CC1N;OVDNRVGXXSRDFS-UHFFFAOYSA-N;143.19;-0.05;;;;;DOPC;MDCG;27;1;"MARTINI bead: P2_SP1";;;;;;;-1.06;;-5.13;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM439248;MM439248;CON=CNC(=N)C#N;FZSZIOBGINGFDA-UHFFFAOYSA-N;126.12;-0.33;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_P2";;;;;;;-1.06;;-3.82;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM439249;MM439249;CC=C(F)C1NC1CC#N;FSEISZZBAYIBLZ-UHFFFAOYSA-N;140.16;1.11;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4_SP2";;;;;;;1.09;;-0.38;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM439250;MM439250;C#CC(=COCCC)CN;YNGXTPZXXMQFRP-UHFFFAOYSA-N;139.2;0.89;;;;;DOPC;MDCG;27;1;"MARTINI bead: Na_Nd";;;;;;;0.87;;-3.56;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM439251;MM439251;C#CC1OC1CC(C)C#N;OEMPVTHBGHEYDI-UHFFFAOYSA-N;135.17;0.94;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_SNa";;;;;;;0.04;;-2.54;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM439252;MM439252;CCN(C=O)OC1CC1N;LXPFZBQYMQLTNY-UHFFFAOYSA-N;144.17;-0.5;;;;;DOPC;MDCG;27;1;"MARTINI bead: P2_SP1";;;;;;;-1.06;;-5.19;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM439253;MM439253;NN=CON=c1ocno1;XFMACUIWUBBSDW-UHFFFAOYSA-N;144.09;-1;;;;;DOPC;MDCG;27;0;"MARTINI bead: P3_SP2";;;;;;;-2.2;;-5.19;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM439254;MM439254;C=Cn1nnc(=NC)n1N;IOIWNGCFNNYJHA-UHFFFAOYSA-N;140.15;-1.58;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP2_SP3";;;;;;;-2.2;;-5.19;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM439255;MM439255;C=CCC1NC1C(F)=CF;GRFVBCWQJBUGDE-UHFFFAOYSA-N;145.15;1.68;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_SNd";;;;;;;1.64;;0.02;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM439256;MM439256;C#CC(=COCCN)CN;WVSDNULOXLIQLF-UHFFFAOYSA-N;140.19;-0.56;;;;;DOPC;MDCG;27;1;"MARTINI bead: P3_Nd";;;;;;;-1.1;;-6.1;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM439257;MM439257;C#CC1OC1CC(N)C=C;PJFYTFJPRULFBL-UHFFFAOYSA-N;137.18;0.29;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1_SNa";;;;;;;0.04;;-4.95;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM439258;MM439258;CCN(C=N)OC1CC1O;JODLJWBAZNARDV-UHFFFAOYSA-N;144.17;-0.02;;;;;DOPC;MDCG;27;1;"MARTINI bead: P2_SP1";;;;;;;-1.06;;-4.93;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM439259;MM439259;NN=CON=c1onno1;RHASZNHVOPTRFT-UHFFFAOYSA-N;145.08;-1.6;;;;;DOPC;MDCG;27;0;"MARTINI bead: P3_SP1";;;;;;;-1.93;;-4.72;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM439260;MM439260;C=NN1C2CC(=O)CC21;CLWFATCPZIKPLU-UHFFFAOYSA-N;124.14;0.02;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP2_SNa";;;;;;;-0.24;;-3.24;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM439261;MM439261;C=NNC(C)=NCC(C)F;AAURRJRTUTYSCP-UHFFFAOYSA-N;145.18;0.97;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_P1";;;;;;;0.81;;-0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM439262;MM439262;C#CC1OC1CN(C)C=N;POEIUBCWHUAHPS-UHFFFAOYSA-N;138.17;-0.07;;;;;DOPC;MDCG;27;1;"MARTINI bead: P2_SNa";;;;;;;-0.24;;-7.07;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM439263;MM439263;C#CC(=COCCF)CN;OJIAAYKHKQOAML-UHFFFAOYSA-N;143.16;0.45;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nda_P1";;;;;;;0.04;;-4.4;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM439264;MM439264;CCN(C=O)OC1CC1O;BAAPYDFEUONYHJ-UHFFFAOYSA-N;145.16;-0.47;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_SP1";;;;;;;-1.06;;-3.82;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM439265;MM439265;C#CCN1CC1C(=O)C#N;PTBWKNXBOMYXNI-UHFFFAOYSA-N;134.14;-0.6;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_SNd";;;;;;;0.04;;-2.63;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM439266;MM439266;C=CCC1OC1C(C)=CC;ZHWMEQPEYYEZMK-UHFFFAOYSA-N;138.21;2.3;;;;;DOPC;MDCG;27;0;"MARTINI bead: C2_SNa";;;;;;;2.83;;0.35;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM439267;MM439267;C=Cn1nnc(=NO)n1N;LNJVRGSEVXIQDC-UHFFFAOYSA-N;142.12;-1.82;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP3_SP3";;;;;;;-3.07;;-6.15;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM439268;MM439268;C#CC1OC1CN(C)C=O;FYWUTQCUTUEGEZ-UHFFFAOYSA-N;139.15;-0.52;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_SNa";;;;;;;-0.24;;-3.24;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM439269;MM439269;C#CC(=COCCC)CO;VGCQJQQXKJZIET-UHFFFAOYSA-N;140.18;0.92;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_Nda";;;;;;;0.87;;-1.99;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM439270;MM439270;N#CCn1ccc(NO)n1;ARHVSCHGEOLWHC-UHFFFAOYSA-N;138.13;0.21;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP1_SNa";;;;;;;0.04;;-2.54;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM439271;MM439271;CC=C(C)C1OC1CC=O;ZSCGROTWFZSALN-UHFFFAOYSA-N;140.18;1.31;;;;;DOPC;MDCG;27;0;"MARTINI bead: C2_SP1";;;;;;;2;;0.29;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM439272;MM439272;CCN(C=N)OC1CC1F;KROUYECLCQHQKC-UHFFFAOYSA-N;146.17;0.96;;;;;DOPC;MDCG;27;1;"MARTINI bead: P2_SNa";;;;;;;-0.24;;-4.35;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM439273;MM439273;C=NNC(C)(C#N)C#CC;ZCYLKEWUJLILLJ-UHFFFAOYSA-N;135.17;0.5;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_P1";;;;;;;0.81;;-0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM439274;MM439274;C#CC(=COCCC)CF;QCYHDEGYPSJQDI-UHFFFAOYSA-N;142.17;1.9;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_C5";;;;;;;1.64;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM439275;MM439275;CCN(C=O)OC1CC1F;ANYYKPMSWVUBTJ-UHFFFAOYSA-N;147.15;0.51;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_SNa";;;;;;;-0.24;;-3.24;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM439276;MM439276;C#CC1CN1CC(C)C=C;OFFBGGJUOSYSTI-UHFFFAOYSA-N;135.21;1.13;;;;;DOPC;MDCG;27;0;"MARTINI bead: C3_SP1";;;;;;;1.74;;0.3;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM439277;MM439277;CON=C(C)C#CC(C)=O;NBWGCIXYIDGANU-UHFFFAOYSA-N;139.15;0.6;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_Na";;;;;;;0.87;;-2.22;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM439278;MM439278;C=COCC=NOC=NN;PONUHOVSCKGQPL-UHFFFAOYSA-N;143.15;0.05;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_C5";;;;;;;0.54;;-1.09;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM439279;MM439279;CC=C(C)C1OC1CC#N;CMPCDNIZCQHGQT-UHFFFAOYSA-N;137.18;1.63;;;;;DOPC;MDCG;27;0;"MARTINI bead: C2_SNa";;;;;;;2.83;;0.35;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM439280;MM439280;C#CC(=COCOC)CC;GTZYPWMKVBYZMQ-UHFFFAOYSA-N;140.18;1.53;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4_P2";;;;;;;1.09;;-0.38;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM439281;MM439281;C#CC#CCOC(C)=NN;VACWLUQZNGQEPI-UHFFFAOYSA-N;136.15;-0.07;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_C4";;;;;;;1.09;;-0.38;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM439282;MM439282;C=Cn1nnc(=NO)n1O;ASHWCJJMDQNVCA-UHFFFAOYSA-N;143.11;-1.29;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP3_SP3";;;;;;;-3.07;;-6.15;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM439283;MM439283;C=CC(CN)CC1NC1C;RVOLPHQGWAFRBA-UHFFFAOYSA-N;140.23;0.5;;;;;DOPC;MDCG;27;1;"MARTINI bead: SP1_Nd";;;;;;;0.04;;-5.4;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM439284;MM439284;CC=CCC=NOC=NN;FQFCTEYRROUIHH-UHFFFAOYSA-N;141.17;0.86;;;;;DOPC;MDCG;27;0;"MARTINI bead: C2_P1";;;;;;;2;;0.29;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM439285;MM439285;C=CCC1OC1C(C)=NN;SJSVGWQTFGFLFJ-UHFFFAOYSA-N;140.19;0.66;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nd_SNa";;;;;;;0.87;;-1.88;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM439286;MM439286;C#CC(=COCOC)CN;ZYNUJQKMZFIZJC-UHFFFAOYSA-N;141.17;0.08;;;;;DOPC;MDCG;27;1;"MARTINI bead: P2_Nd";;;;;;;-0.24;;-4.83;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM439287;MM439287;C#CC(C)CC1CC1C#C;ZTRSYKMBUUULPB-UHFFFAOYSA-N;132.21;1.92;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_SC5";;;;;;;2.41;;0.64;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM439288;MM439288;CC(=O)C=CN=C(N)C#N;KHZNHWLOFAMNDX-UHFFFAOYSA-N;137.14;-0.03;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_P2";;;;;;;-0.24;;-3.24;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM439289;MM439289;C=CCn1ncc(NO)n1;FPNZANMWCWEGSN-UHFFFAOYSA-N;140.15;0.27;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP2_SNa";;;;;;;-0.24;;-3.24;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM439290;MM439290;C=CCN1CC1C(C)=CF;MVYQOKOUCGZFHI-UHFFFAOYSA-N;141.19;1.73;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4_SNd";;;;;;;2.2;;0.32;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM439291;MM439291;C=CC(CC1NC1C)NC;ZQDMMNVUYDNONN-UHFFFAOYSA-N;140.23;0.51;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_SP1";;;;;;;0.04;;-4.8;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM439292;MM439292;C#CC(=COCOC)CF;ORYADDYAOQEISB-UHFFFAOYSA-N;144.15;1.09;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_C5";;;;;;;0.54;;-1.09;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM439293;MM439293;C#CC(N)CC1CC1C#C;PCBDLXKUYMJDCT-UHFFFAOYSA-N;133.19;0.61;;;;;DOPC;MDCG;27;1;"MARTINI bead: P2_SC5";;;;;;;0.54;;-2.89;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM439294;MM439294;C#CCC1C=CC(=CC)C1;KUBPHNJPPLREKD-UHFFFAOYSA-N;132.21;2.53;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC3_SC4";;;;;;;3.9;;0.47;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM439295;MM439295;C=NOC(=O)ON=CCF;BUNZSRGJAXORJC-UHFFFAOYSA-N;148.09;0.71;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_P1";;;;;;;0.81;;-0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM439296;MM439296;C=CCN1CC1C(F)=CC;GWOAMGWIJAWLPO-UHFFFAOYSA-N;141.19;1.73;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4_SNd";;;;;;;2.2;;0.32;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM439297;MM439297;CCN(C=N)CC1NC1C;YPORIEQLIZRIQF-UHFFFAOYSA-N;141.22;0.28;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_SP1";;;;;;;0.04;;-6.57;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM439298;MM439298;C#CC(=COCCC)OC;GAPKIDWPYDYKQR-UHFFFAOYSA-N;140.18;1.53;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_Na";;;;;;;0.87;;-2.22;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM439299;MM439299;CC=C(F)C1CN1CC#N;BWWGFNRUSFEFMG-UHFFFAOYSA-N;140.16;1.07;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4_SP1";;;;;;;1.37;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM439300;MM439300;C#CC(O)CC1CC1C#C;ZFJBLNFZUHZDDN-UHFFFAOYSA-N;134.18;0.64;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_SC5";;;;;;;0.54;;-1.09;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM439301;MM439301;C#CCC1C=CC(=CF)C1;DIGQTQMZNVNDBD-UHFFFAOYSA-N;136.17;2.44;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC4_SC4";;;;;;;3.53;;0.53;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM439302;MM439302;N=Cn1nnc(=NO)n1O;HIDURMCFEBGWFJ-UHFFFAOYSA-N;144.09;-1.94;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP3_SP3";;;;;;;-3.07;;-6.15;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM439303;MM439303;CNN(C=N)CC1NC1C;WRFCMYFJRNLPOB-UHFFFAOYSA-N;142.21;-0.61;;;;;DOPC;MDCG;27;1;"MARTINI bead: P4_SP1";;;;;;;-2.01;;-7.25;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM439304;MM439304;C#CC(=COCCO)OC;MMMXTUPUXBJRMR-UHFFFAOYSA-N;142.15;0.12;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_P1";;;;;;;0.04;;-2.54;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM439305;MM439305;C=CCN1CC1C(F)=CF;LWRYFRCJGRHPDJ-UHFFFAOYSA-N;145.15;1.64;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_SNd";;;;;;;1.64;;0.02;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM439306;MM439306;C#CC1C=CC(=CF)C1C;UNMBTUBCTLHQBQ-UHFFFAOYSA-N;136.17;2.3;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC5_SC4";;;;;;;2.97;;0.45;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM439307;MM439307;NN=CCC=NOC=NN;QGBFQNPWBAOVDA-UHFFFAOYSA-N;143.15;-0.77;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_Nda";;;;;;;0.04;;-2.73;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM439308;MM439308;C#CC(F)CC1CC1C#C;IUXFZGDNDJNRDT-UHFFFAOYSA-N;136.17;1.62;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_SC5";;;;;;;2.41;;0.64;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM439309;MM439309;C=CC(CC)CC1OC1C;ZDLBPJACBBEYHE-UHFFFAOYSA-N;140.23;2.38;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1_SNa";;;;;;;2.91;;0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM439310;MM439310;C#CC(=COCCF)OC;GAUUXTASNMHQNN-UHFFFAOYSA-N;144.15;1.09;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_Na";;;;;;;0.87;;-2.22;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM439311;MM439311;N#CCN1CC1C(F)=CF;GXCPZSBUEOPLAM-UHFFFAOYSA-N;144.12;0.97;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_SP1";;;;;;;0.81;;-0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM439312;MM439312;C#CC(C)NC1CC1C#C;IIIZLRRAIHMHSQ-UHFFFAOYSA-N;133.19;0.62;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1_SC5";;;;;;;0.81;;-1.68;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM439313;MM439313;CC(=O)C(C)CNCC#N;JHJMRDLELFANOV-UHFFFAOYSA-N;140.19;0.32;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_P2";;;;;;;-0.24;;-3.24;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM439314;MM439314;C#CCC1C=CC(=NO)C1;ZLEZSGHNWHRBRG-UHFFFAOYSA-N;135.17;1.42;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNda_SC4";;;;;;;2.2;;0.49;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM439315;MM439315;CCC(C=O)CC1OC1C;DHYYGUXTDFEWJX-UHFFFAOYSA-N;142.2;1.39;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_SNa";;;;;;;1.64;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM439316;MM439316;C#CC(CC)=NNCCC;CMCKXWUAVMNDMU-UHFFFAOYSA-N;138.21;1.39;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nd_N0";;;;;;;1.17;;-1.04;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM439317;MM439317;C#CC1C=CC(=NO)C1C;GKYPDWAPOMJXAJ-UHFFFAOYSA-N;135.17;1.27;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC5_SNda";;;;;;;1.64;;0.05;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM439318;MM439318;CC(=NO)C1CN1CC#N;OQGNBTFGVYIVOV-UHFFFAOYSA-N;139.16;0.04;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_SP1";;;;;;;-0.79;;-3.13;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM439319;MM439319;C#CC(C)CC1NC1C#C;BJIQVAMLYMUYNZ-UHFFFAOYSA-N;133.19;0.62;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4_SP3";;;;;;;0.23;;-1.03;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM439320;MM439320;C#CCC1C=CC(=NC)N1;VXCKKNFCLPJYEC-UHFFFAOYSA-N;134.18;0.57;;;;;DOPC;MDCG;27;1;"MARTINI bead: SNd_SP1";;;;;;;0.04;;-5.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM439321;MM439321;CCC(C#N)CC1OC1C;KZTWSRUGVLZPPU-UHFFFAOYSA-N;139.2;1.71;;;;;DOPC;MDCG;27;0;"MARTINI bead: N0_SNa";;;;;;;1.17;;-1.18;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM439322;MM439322;CNN=COC(C)=CCF;HAAVWIPBYYDABE-UHFFFAOYSA-N;146.17;1.04;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_C4";;;;;;;1.09;;-0.38;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM439323;MM439323;CC=C(C)C1CN1NC=N;FFGTZWQFDAQWFL-UHFFFAOYSA-N;139.2;0.75;;;;;DOPC;MDCG;27;1;"MARTINI bead: C2_SP3";;;;;;;0.86;;-2.94;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM439324;MM439324;C#CC(N)CC1NC1C#C;UTOWFMZLJYIHAY-UHFFFAOYSA-N;134.18;-0.69;;;;;DOPC;MDCG;27;1;"MARTINI bead: P2_SP2";;;;;;;-1.34;;-5.79;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM439325;MM439325;C=C1C(=CC)C=CC1CC;YQPUFKLXCFVNRL-UHFFFAOYSA-N;134.22;3.08;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC2_SC2";;;;;;;4.78;;0.59;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM439326;MM439326;C#CCC1C=CC(=CC)O1;FYCXIIYKVLMGTM-UHFFFAOYSA-N;134.18;1.87;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC5_SN0";;;;;;;1.94;;0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM439327;MM439327;C=CC(CN)CC1OC1C;SLBYAJVKCWKOEA-UHFFFAOYSA-N;141.21;0.92;;;;;DOPC;MDCG;27;1;"MARTINI bead: SNa_Nd";;;;;;;0.87;;-4.65;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM439328;MM439328;CNN=COC(C)=COC;SZKLVXPGQVCCJH-UHFFFAOYSA-N;144.17;0.67;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_C5";;;;;;;0.54;;-1.09;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM439329;MM439329;C=CCC1CN1C(C)=NC;IEWUNJBXKXAKQG-UHFFFAOYSA-N;138.21;1.29;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1_SN0";;;;;;;0.34;;-4.76;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM439330;MM439330;CCCC=COC(C)=NN;OOYVCDDBCNNVMC-UHFFFAOYSA-N;142.2;1.61;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1_P2";;;;;;;1.8;;0.4;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM439331;MM439331;C=C1C(=CF)C=CC1CC;QVIQIZLRPDOHLK-UHFFFAOYSA-N;138.19;2.99;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC2_SC4";;;;;;;4.16;;0.44;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM439332;MM439332;C#CCC1C=CC(=NO)O1;MFAYQGMQWHMBCX-UHFFFAOYSA-N;137.14;0.75;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP1_SN0";;;;;;;0.34;;-1.53;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM439333;MM439333;C=CC(CO)CC1OC1C;ODTMZCBYJYXWKE-UHFFFAOYSA-N;142.2;0.96;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNa_Nda";;;;;;;0.87;;-1.99;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM439334;MM439334;C=CC=C(C)OC=NNC;IHDCVTQSPYOJHA-UHFFFAOYSA-N;140.19;1.26;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_C1";;;;;;;1.8;;0.4;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM439335;MM439335;C#CCC1CC1C(C)=CC;HINSSZIECLVUFW-UHFFFAOYSA-N;134.22;2.61;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1_SC4";;;;;;;4.24;;0.42;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM439336;MM439336;C#CC(F)CC1NC1C#C;LIFBYNVMIFVKQD-UHFFFAOYSA-N;137.16;0.32;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_SP3";;;;;;;-0.33;;-2.01;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM439337;MM439337;CC1OC1CC(C=O)CO;MCFPBKALBHSWNP-UHFFFAOYSA-N;144.17;-0.03;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNa_P2";;;;;;;-0.24;;-3.24;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM439338;MM439338;C=C1C(=CF)C=CC1CO;FDOWJHDOLIANEM-UHFFFAOYSA-N;140.16;1.57;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNda_SC4";;;;;;;2.2;;0.49;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM439339;MM439339;CC=COC=NOC=NN;XWSFDYDRAIJFCY-UHFFFAOYSA-N;143.15;0.4;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4_P2";;;;;;;1.09;;-0.38;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM439340;MM439340;C#CC=C(C)OC=NNC;VOABDZSDLQHCJQ-UHFFFAOYSA-N;138.17;0.7;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_C4";;;;;;;1.09;;-0.38;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM439341;MM439341;C#CCC1CC1C(C)=NN;OIEZMLLHAZGYED-UHFFFAOYSA-N;136.2;0.98;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nd_SC4";;;;;;;2.2;;0.32;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM439342;MM439342;CC1OC1CC(C#N)CO;GWZMLDDRKHAMBW-UHFFFAOYSA-N;141.17;0.3;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNa_P2";;;;;;;-0.24;;-3.24;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM439343;MM439343;NN=CON=COC=CF;YKAPZHFNJAPFEM-UHFFFAOYSA-N;147.11;0.31;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_C5";;;;;;;0.54;;-1.09;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM439344;MM439344;C#CC(C)CC1OC1C#C;XFNFHTZNBVCSAQ-UHFFFAOYSA-N;134.18;1.05;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4_SNa";;;;;;;2.2;;0.34;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM439345;MM439345;C=C1C(=NN)C=CC1CC;DMEIQBZFPXRXBN-UHFFFAOYSA-N;136.2;1.45;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC2_SC5";;;;;;;3.6;;0.34;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM439346;MM439346;CCON=CC(C)=NNC;ZPNJKQKQAMMSES-UHFFFAOYSA-N;143.19;0.6;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_Nd";;;;;;;0.87;;-1.88;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM439347;MM439347;C#CCC1NC1C(C)=CF;DBUWCSHPNQKHGN-UHFFFAOYSA-N;139.17;1.22;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4_SP1";;;;;;;1.37;;-0.05;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM439348;MM439348;C=CC(CF)CC1OC1C;DYZFRQRUBVAHDS-UHFFFAOYSA-N;144.19;1.94;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNa_C5";;;;;;;1.64;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM439349;MM439349;NN=CON=CC=CCF;QPIIELYHBUIWRW-UHFFFAOYSA-N;145.14;0.42;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_C4";;;;;;;1.09;;-0.38;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM439350;MM439350;C=C(CN)CC1CC1CC;IEVSWCLGGDVIHP-UHFFFAOYSA-N;139.24;1.94;;;;;DOPC;MDCG;27;1;"MARTINI bead: SC3_Nd";;;;;;;2.57;;-0.98;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM439351;MM439351;C=CNC(=NN=C)OCC;WYTDBHKOUONHSN-UHFFFAOYSA-N;141.17;0.73;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_C5";;;;;;;0.81;;-0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM439352;MM439352;C#CC(CC)=NOCOC;WRVYPZVEUHHROU-UHFFFAOYSA-N;141.17;1.01;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_C3";;;;;;;1.46;;-0.15;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM439353;MM439353;C#CCC1NC1C(F)=CC;VLRKROLIOCIFSU-UHFFFAOYSA-N;139.17;1.22;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4_SP1";;;;;;;1.37;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM439354;MM439354;COC=CC=NOC=NN;SIHFMDLLKCOBTA-UHFFFAOYSA-N;143.15;0.05;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_P2";;;;;;;0.54;;-1.09;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM439355;MM439355;CC1OC1CC(C=O)CF;OGTHMOVWWCCSLG-UHFFFAOYSA-N;146.16;0.95;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNa_P1";;;;;;;0.04;;-2.54;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM439356;MM439356;C=C(CO)CC1CC1CC;RKVRHUYVLITZNY-UHFFFAOYSA-N;140.23;1.97;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC3_Nda";;;;;;;2.57;;0.44;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM439357;MM439357;C=C1C(=CC)C=CC1NC;OZIFTAPRESRLPG-UHFFFAOYSA-N;135.21;1.65;;;;;DOPC;MDCG;27;1;"MARTINI bead: SNd_SC2";;;;;;;2.83;;0.25;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM439358;MM439358;C#CC(=CCCC=C)CC;AVPMZIZCHAFYBC-UHFFFAOYSA-N;134.22;2.92;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4_C3";;;;;;;3.9;;0.47;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM439359;MM439359;C#CCC1NC1C(C)=NO;QDGBPBMKBSFDQS-UHFFFAOYSA-N;138.17;0.2;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_SP1";;;;;;;-0.79;;-3.13;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM439360;MM439360;CC1OC1CC(C#N)CF;LFORWDQQMDJABD-UHFFFAOYSA-N;143.16;1.27;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNa_Na";;;;;;;0.87;;-2.22;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM439361;MM439361;C#CCN1CC(=CC)C=N1;VTUXOMVQVQTHBG-UHFFFAOYSA-N;134.18;0.87;;;;;DOPC;MDCG;27;0;"MARTINI bead: SN0_SP1";;;;;;;0.34;;-1.53;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM439362;MM439362;C=C(CF)CC1CC1CC;PCMWHUIQVKYYBP-UHFFFAOYSA-N;142.22;2.95;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC3_C4";;;;;;;3.9;;0.47;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM439363;MM439363;C=C1C(=CF)C=CC1NC;XOEUXNGPPQAXAC-UHFFFAOYSA-N;139.17;1.55;;;;;DOPC;MDCG;27;1;"MARTINI bead: SNd_SC4";;;;;;;2.2;;-1.05;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM439364;MM439364;C#CCC1OC1C(C)=CC;FQEBQBORDXXJKB-UHFFFAOYSA-N;136.19;1.74;;;;;DOPC;MDCG;27;0;"MARTINI bead: C2_SNa";;;;;;;2.83;;0.35;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM439365;MM439365;C#CC(=CCCC=O)CC;KDSLDOCFUXBQRW-UHFFFAOYSA-N;136.19;1.94;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4_Na";;;;;;;2.2;;0.34;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM439366;MM439366;C#CCN1CC(=CF)C=N1;MGJQJDJSEMFLAR-UHFFFAOYSA-N;138.15;0.77;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP1_SP1";;;;;;;-0.79;;-3.13;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM439367;MM439367;C=C(CC)CC1CC1CN;YKEIMQKQZARQCW-UHFFFAOYSA-N;139.24;1.94;;;;;DOPC;MDCG;27;1;"MARTINI bead: C1_SNd";;;;;;;2.91;;-0.56;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM439368;MM439368;C=CC(CC1OC1C)NC;LDMRRMGGHQJYEP-UHFFFAOYSA-N;141.21;0.94;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_SNa";;;;;;;0.87;;-4.19;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM439369;MM439369;C=C1C(=NN)C=CC1NC;YGYUXAULENBHDC-UHFFFAOYSA-N;137.19;0.02;;;;;DOPC;MDCG;27;1;"MARTINI bead: SNd_SC5";;;;;;;1.64;;-1.02;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM439370;MM439370;C#CC(=CCCC#N)CC;PFPQJEXPPMONIC-UHFFFAOYSA-N;133.19;2.26;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4_P1";;;;;;;1.37;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM439371;MM439371;C#CCC1OC1C(C)=CF;HXMVRWMKSWRIQE-UHFFFAOYSA-N;140.16;1.65;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4_SNa";;;;;;;2.2;;0.34;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM439372;MM439372;C=CC=CC=NOC=NN;QSMLHFSSESGPKW-UHFFFAOYSA-N;139.16;0.63;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_C4";;;;;;;1.37;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM439373;MM439373;CNC(C=O)CC1OC1C;DWXDCPCGUCPHNH-UHFFFAOYSA-N;143.19;-0.05;;;;;DOPC;MDCG;27;1;"MARTINI bead: P2_SNa";;;;;;;-0.24;;-4.31;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM439374;MM439374;CCC1CC1CC(=O)CO;UVFVMDZNAFZPSU-UHFFFAOYSA-N;142.2;0.98;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC3_P2";;;;;;;1.46;;-0.15;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM439375;MM439375;C=C1C(=NO)C=CC1NC;CMZHANXNVOFSCU-UHFFFAOYSA-N;138.17;0.53;;;;;DOPC;MDCG;27;1;"MARTINI bead: SNd_SN0";;;;;;;1.17;;-2.16;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM439376;MM439376;C#CC(=CCCC=C)CN;ULBIJHVFRGMKEU-UHFFFAOYSA-N;135.21;1.47;;;;;DOPC;MDCG;27;1;"MARTINI bead: P2_C1";;;;;;;1.8;;-0.69;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM439377;MM439377;C#CCC1OC1C(C)=NN;GOEXGNLMRRRDGQ-UHFFFAOYSA-N;138.17;0.11;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nd_SNa";;;;;;;0.87;;-1.88;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM439378;MM439378;C#CCN1CC(=NO)C=N1;JHPUIDRWYOEPDF-UHFFFAOYSA-N;137.14;-0.25;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP2_SP1";;;;;;;-1.06;;-3.82;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM439379;MM439379;CCC1CC1CC(=N)NN;GLTZMEDQLMVUJN-UHFFFAOYSA-N;141.22;0.86;;;;;DOPC;MDCG;27;1;"MARTINI bead: SC3_P2";;;;;;;1.46;;-3.72;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM439380;MM439380;COC(C=O)CC1OC1C;QXHFGKPRDBWLEV-UHFFFAOYSA-N;144.17;0.38;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_SNa";;;;;;;0.04;;-2.54;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM439381;MM439381;C#CC(=CCCC=O)CO;XKFXERNULFPKAK-UHFFFAOYSA-N;138.17;0.52;;;;;DOPC;MDCG;27;0;"MARTINI bead: P3_C4";;;;;;;0.23;;-1.03;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM439382;MM439382;C#CCN1CC1C(C)=CC;HDBPAACLXUXIAC-UHFFFAOYSA-N;135.21;1.27;;;;;DOPC;MDCG;27;0;"MARTINI bead: C2_SNd";;;;;;;2.83;;0.62;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM439383;MM439383;C=C1C(=CF)C=CC1OC;ILUDCGVLOYHFHP-UHFFFAOYSA-N;140.16;1.98;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNa_SC4";;;;;;;2.2;;0.34;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM439384;MM439384;C#CCn1ccc(NC)n1;KAECIRSDHYOHSK-UHFFFAOYSA-N;135.17;0.56;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNd_SNa";;;;;;;0.87;;-1.88;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM439385;MM439385;CCC1CC1CC(=N)NO;LEVWIYAQCLSNLN-UHFFFAOYSA-N;142.2;1.38;;;;;DOPC;MDCG;27;1;"MARTINI bead: SC3_P2";;;;;;;1.46;;-2.57;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM439386;MM439386;CCN(C=N)CC1OC1C;KOWPSEUPKWCHSV-UHFFFAOYSA-N;142.2;0.7;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_SNa";;;;;;;0.87;;-5.57;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM439387;MM439387;C#CC(=CCCC=C)CF;HJJDNHMSDWYWDT-UHFFFAOYSA-N;138.19;2.48;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_C3";;;;;;;3.34;;0.48;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM439388;MM439388;CC=C1C=CN(NC)C1=N;KKHNCMUVGIDNQR-UHFFFAOYSA-N;137.19;0.87;;;;;DOPC;MDCG;27;1;"MARTINI bead: SP2_SN0";;;;;;;0.06;;-4.22;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM439389;MM439389;C#CCN1CC1C(C)=NN;YWQBRGUHFQPNBQ-UHFFFAOYSA-N;137.19;-0.36;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nd_SNd";;;;;;;0.87;;-2.11;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM439390;MM439390;C=NN=CC=NOC=NN;HENBLTFEISJLGP-UHFFFAOYSA-N;141.13;-0.42;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_N0";;;;;;;0.34;;-1.53;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM439391;MM439391;COCC=COC(C)=NN;FKDJWPLYLHUQRT-UHFFFAOYSA-N;144.17;0.46;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_Nda";;;;;;;0.87;;-1.99;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM439392;MM439392;CCN(C=O)CC1OC1C;PHKLEIGDTAUOKG-UHFFFAOYSA-N;143.19;0.25;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_SNa";;;;;;;0.04;;-2.54;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM439393;MM439393;CNN1C=CC(=CN)C1=N;SCXFOPDGUQEWQH-UHFFFAOYSA-N;138.17;-0.23;;;;;DOPC;MDCG;27;1;"MARTINI bead: SP2_SP2";;;;;;;-1.34;;-6.11;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM439394;MM439394;C#CC(=CCCC=O)CF;BSGPBEVOCIGVMK-UHFFFAOYSA-N;140.16;1.49;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_Na";;;;;;;1.64;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM439395;MM439395;C=NN(C)CC(=O)C=CC;NHLGGABUFOFUNV-UHFFFAOYSA-N;140.19;0.68;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_P2";;;;;;;0.54;;-1.09;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM439396;MM439396;C#CC=CC=NOC=NN;FENVTLUOTGTYFC-UHFFFAOYSA-N;137.14;0.08;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_C4";;;;;;;1.09;;-0.38;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM439397;MM439397;CCC1CC1CC(=O)NO;ADAZNZXIPJEHTQ-UHFFFAOYSA-N;143.19;0.93;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC3_P3";;;;;;;0.6;;-0.8;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM439398;MM439398;C=NN(CC)CC1OC1C;IMCWLPDIBHIKLB-UHFFFAOYSA-N;142.2;0.71;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_SNa";;;;;;;0.04;;-2.54;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM439399;MM439399;C=CC1C=CC(=CF)C1=C;ICYIMEQMFMIREO-UHFFFAOYSA-N;136.17;2.77;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC4_SC4";;;;;;;3.53;;0.53;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM439400;MM439400;CNN=COC(C)=C(F)F;AMKDMAKZCHOCRE-UHFFFAOYSA-N;150.13;1.29;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_C4";;;;;;;1.09;;-0.38;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM439401;MM439401;CC=CC1CC1C(C)=CF;RDOLEAVMCARHSG-UHFFFAOYSA-N;140.2;3.07;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC3_C4";;;;;;;3.9;;0.47;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM439402;MM439402;CCC#CC=NOC=NN;ZPNOMEOEEZSXFM-UHFFFAOYSA-N;139.16;0.3;;;;;DOPC;MDCG;27;0;"MARTINI bead: C3_P2";;;;;;;1.46;;-0.15;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM439403;MM439403;CCC1CC1CC(=O)OC;OLIGHXXCNUWPTH-UHFFFAOYSA-N;142.2;1.6;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC3_Na";;;;;;;2.57;;0.45;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM439404;MM439404;CNN(C=N)CC1OC1C;VVGQWIZKXHXRKU-UHFFFAOYSA-N;143.19;-0.18;;;;;DOPC;MDCG;27;1;"MARTINI bead: P4_SNa";;;;;;;-1.19;;-6.6;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM439405;MM439405;N=c1nn[nH]ncc1=NN;BHQAAYKMYUMUIF-UHFFFAOYSA-N;139.12;-2.55;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP3_SP3";;;;;;;-3.07;;-10.28;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM439406;MM439406;C#CC(=CCNC=N)CN;PCCOYYLVLWRODH-UHFFFAOYSA-N;137.19;-0.3;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_P3";;;;;;;-1.1;;-7.77;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM439407;MM439407;CC=CC1CC1C(F)=CC;MQXKNLYSCBAWPX-UHFFFAOYSA-N;140.2;3.07;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC3_C3";;;;;;;4.27;;0.2;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM439408;MM439408;C=C(CC)CC1CC1NC;AETLZRWAYGAGFU-UHFFFAOYSA-N;139.24;1.95;;;;;DOPC;MDCG;27;1;"MARTINI bead: C1_SNd";;;;;;;2.91;;-0.59;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM439409;MM439409;NN=CON=CC#CCF;RWUJHQWQWHNBLA-UHFFFAOYSA-N;143.12;-0.14;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_C5";;;;;;;0.54;;-1.09;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM439410;MM439410;CNN(C=O)CC1OC1C;NZQMVVIBPUGLGI-UHFFFAOYSA-N;144.17;-0.63;;;;;DOPC;MDCG;27;0;"MARTINI bead: P3_SNa";;;;;;;-1.1;;-4.2;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM439411;MM439411;C=CN1C=NC(=NC)C1=C;DIEIRFNNGHOCGC-UHFFFAOYSA-N;135.17;1.02;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP2_SNd";;;;;;;-0.24;;-3.16;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM439412;MM439412;C#CC(=CCNC=O)CN;BNTYJWAGIMNONA-UHFFFAOYSA-N;138.17;-0.75;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_P3";;;;;;;-1.1;;-5.41;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM439413;MM439413;NN=CC1CC1C(F)=CF;BFNXMDNLSGUILH-UHFFFAOYSA-N;146.14;1.35;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNd_C5";;;;;;;1.64;;0.02;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM439414;MM439414;C#CCn1ncc(NO)n1;NMWKDUYXOXMAHZ-UHFFFAOYSA-N;138.13;-0.29;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP2_SNa";;;;;;;-0.24;;-3.24;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM439415;MM439415;CNC(=N)CC1CC1NC;WMZLYFBMCLBFTQ-UHFFFAOYSA-N;141.22;0.18;;;;;DOPC;MDCG;27;1;"MARTINI bead: SNd_P1";;;;;;;0.04;;-7.82;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM439416;MM439416;CON(C=O)CC1OC1C;WJKOBNCYDCCAEF-UHFFFAOYSA-N;145.16;-0.21;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_SNa";;;;;;;-0.24;;-3.24;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM439417;MM439417;C=C1C(=NC)N=CN1C=O;WCUBLIHAGOKGLE-UHFFFAOYSA-N;137.14;0.03;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP2_SP1";;;;;;;-1.06;;-3.82;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM439418;MM439418;CC=CC1CC1C(C)=NO;OMJMCZJHQJGCBX-UHFFFAOYSA-N;139.2;2.05;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC3_Nda";;;;;;;2.57;;0.44;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM439419;MM439419;C#CC(=CCNC=N)CO;JUMKRBRDXXXFKG-UHFFFAOYSA-N;138.17;-0.27;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nda_P3";;;;;;;-1.1;;-7.7;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM439420;MM439420;NCC(=O)NC1CC1CN;LZJREARCUMVHPY-UHFFFAOYSA-N;143.19;-1.59;;;;;DOPC;MDCG;27;1;"MARTINI bead: SNd_P4";;;;;;;-1.19;;-7.15;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM439421;MM439421;N#Cc1nnn[nH]1;CKDZEXUCUNHQIY-UHFFFAOYSA-N;95.07;-0.93;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP1_SP1";;;;;;;-0.79;;-8.31;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM439422;MM439422;C=C1CC(=C)C(C)(O)C1;KOZGKZJGFMPMBO-UHFFFAOYSA-N;124.18;1.64;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNda_SC4";;;;;;;2.2;;0.49;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM439423;MM439423;CC=CC1NC1C(F)=CC;QCGZAHNMGRHUBD-UHFFFAOYSA-N;141.19;1.78;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNd_C4";;;;;;;2.2;;0.32;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM439424;MM439424;C=c1c(=CC)cnn1C=N;FBEPTYCHVYLTOJ-UHFFFAOYSA-N;135.17;-0.45;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP1_SP2";;;;;;;-1.06;;-3.82;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM439425;MM439425;CCC1CC1NC(=N)OC;WKLAYJCZVFEKII-UHFFFAOYSA-N;142.2;0.96;;;;;DOPC;MDCG;27;1;"MARTINI bead: SC3_P2";;;;;;;1.46;;-1.51;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM439426;MM439426;C#CC(=CCNC=O)CO;BWUCYPPYYYFNKN-UHFFFAOYSA-N;139.15;-0.72;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda_P3";;;;;;;-1.1;;-3.97;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM439427;MM439427;C#CCn1nnc(=NC)o1;YGLBIWVQQSHLTO-UHFFFAOYSA-N;138.13;-0.97;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP2_SP2";;;;;;;-1.34;;-4.31;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM439428;MM439428;CCC(C#N)CC1CN1C;XLKWRGBFKVAAHA-UHFFFAOYSA-N;138.21;1.24;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_SP1";;;;;;;0.81;;-0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM439429;MM439429;C=c1c(=CF)cnn1C=N;ARGLXGNYLKWZPP-UHFFFAOYSA-N;139.13;-0.54;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP2_SP2";;;;;;;-1.34;;-4.31;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM439430;MM439430;C#CC(=CCNN=C)CC;NWVODCOESBJCLK-UHFFFAOYSA-N;136.2;1.16;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4_P2";;;;;;;1.09;;-0.38;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM439431;MM439431;CC=CC1NC1C(F)=CF;FUVQQSHMPULBRR-UHFFFAOYSA-N;145.15;1.68;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNd_C5";;;;;;;1.64;;0.02;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM439432;MM439432;CCC1CC1OC(=O)CO;HPQPTHLBHUIJRV-UHFFFAOYSA-N;144.17;0.32;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC3_P2";;;;;;;1.46;;-0.15;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM439433;MM439433;C#CCn1nnc(=NN)o1;GKMCGLWVULPTTL-UHFFFAOYSA-N;139.12;-1.72;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP2_SP2";;;;;;;-1.34;;-4.31;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM439434;MM439434;C=CC(CN)CC1CN1C;SZNCEKBUCWMFDI-UHFFFAOYSA-N;140.23;0.45;;;;;DOPC;MDCG;27;1;"MARTINI bead: SP1_Nd";;;;;;;0.04;;-5.4;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM439435;MM439435;C=c1c(=CC)cnn1C=O;YZYVAGSEDSTELP-UHFFFAOYSA-N;136.15;-0.87;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP1_SP2";;;;;;;-1.06;;-3.82;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM439436;MM439436;NN=CC1NC1C(F)=CF;VCPWUGNFOOWKHQ-UHFFFAOYSA-N;147.13;0.05;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP2_C5";;;;;;;0.54;;-1.09;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM439437;MM439437;C#CC(=CCNN=C)CN;PWCBCRJYSWHQOJ-UHFFFAOYSA-N;137.19;-0.29;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_P2";;;;;;;-0.24;;-4.93;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM439438;MM439438;CCOC=COC(C)=NN;XHEHWKAHHADGKP-UHFFFAOYSA-N;144.17;0.8;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_Nda";;;;;;;0.87;;-1.99;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM439439;MM439439;NN=CC1C=CC(=CF)C1;UQXUGNVOPWOXPI-UHFFFAOYSA-N;140.16;1.36;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC5_SC4";;;;;;;2.97;;0.45;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM439440;MM439440;CC1(C)CC(O)C1(C)C;FOATXEXBGJDDBX-UHFFFAOYSA-N;128.22;1.8;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC3_SNda";;;;;;;2.57;;0.44;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM439441;MM439441;C=c1c(=CN)cnn1C=O;BMOAYDLQOCRBJY-UHFFFAOYSA-N;137.14;-1.97;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP3_SP2";;;;;;;-2.2;;-5.19;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM439442;MM439442;CCC1CC1OC(=O)NO;DQFGTSIKOIQRBK-UHFFFAOYSA-N;145.16;0.9;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC3_P2";;;;;;;1.46;;-0.14;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM439443;MM439443;CC=C(F)C1OC1C=NN;KDVRCLPVCVLYRH-UHFFFAOYSA-N;144.15;0.57;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4_SP2";;;;;;;1.09;;-0.38;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM439444;MM439444;C#CC(=CCOC=C)CC;DRKXCFHWSYJEEA-UHFFFAOYSA-N;136.19;2.12;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4_Na";;;;;;;2.2;;0.34;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM439445;MM439445;C=CC#CC=NOC=NN;UNTQWDQOJNDPIX-UHFFFAOYSA-N;137.14;0.08;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_C4";;;;;;;1.09;;-0.38;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM439446;MM439446;CC1C(O)C(C)C1(C)C;DUYPEBQFKRPJRS-UHFFFAOYSA-N;128.22;1.66;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNda_SC3";;;;;;;2.57;;0.44;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM439447;MM439447;CC(=NN)C1OC1C=NN;IWVZYQROVKSKJY-UHFFFAOYSA-N;142.16;-0.97;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nd_SP2";;;;;;;-0.24;;-3.16;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM439448;MM439448;C=c1c(=CF)cnn1C=O;CISDMZRVXAHOKF-UHFFFAOYSA-N;140.12;-0.96;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP2_SP2";;;;;;;-1.34;;-4.31;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM439449;MM439449;CCC1CC1OC(=O)OC;MLCIVLOVZRTCGR-UHFFFAOYSA-N;144.17;1.57;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC3_Na";;;;;;;2.57;;0.45;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM439450;MM439450;C#CC(=CCOC=O)CC;GLJRALDMEWFZQC-UHFFFAOYSA-N;138.17;1.13;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4_P1";;;;;;;1.37;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM439451;MM439451;C#CC#CC=NOC=NN;JMGAJRFPXXDOQM-UHFFFAOYSA-N;135.13;-0.47;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_N0";;;;;;;0.34;;-1.53;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM439452;MM439452;C=CC(CC1CN1C)NC;RXEAFHNLXJBGQS-UHFFFAOYSA-N;140.23;0.46;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_SP1";;;;;;;0.04;;-4.8;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM439453;MM439453;CC=C(C)C1CN1C=NC;UENKAYXBRLAYJA-UHFFFAOYSA-N;138.21;1.29;;;;;DOPC;MDCG;27;1;"MARTINI bead: C2_SP1";;;;;;;2;;-0.58;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM439454;MM439454;C#CC(=CCOC=C)CN;ZWXOMXVOBYIUGV-UHFFFAOYSA-N;137.18;0.66;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_Na";;;;;;;0.87;;-3.66;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM439455;MM439455;C=C(CN)CC1NC1CN;FMRLAGXPWGHMEP-UHFFFAOYSA-N;141.22;-0.81;;;;;DOPC;MDCG;27;1;"MARTINI bead: SP2_Nd";;;;;;;-0.24;;-5.57;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM439456;MM439456;C#CC=NOC(=O)C(=O)O;ZTBSYTTXZGCJNL-UHFFFAOYSA-N;141.08;-0.77;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_N0";;;;;;;0.34;;-7.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM439457;MM439457;CC=CC1C=CC(=CC)O1;SHXIXSIOYKWOKL-UHFFFAOYSA-N;136.19;2.42;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC5_SC5";;;;;;;2.41;;0.64;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM439458;MM439458;CNC(C#N)CC1CN1C;LFHLQQVEBMDSJQ-UHFFFAOYSA-N;139.2;-0.2;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_SNd";;;;;;;-0.24;;-3.16;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM439459;MM439459;CC=NN1CC1C(F)=CC;IETDBZZKBGQBCZ-UHFFFAOYSA-N;142.18;1.55;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP1_C4";;;;;;;1.37;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM439460;MM439460;C#CC(=CCOC=O)CN;UQAJDEWWFYOFFA-UHFFFAOYSA-N;139.15;-0.32;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_P1";;;;;;;0.04;;-4.41;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM439461;MM439461;C=C(CO)CC1NC1CN;RLPUSGOUMGQYJA-UHFFFAOYSA-N;142.2;-0.78;;;;;DOPC;MDCG;27;1;"MARTINI bead: SP2_Nda";;;;;;;-0.24;;-5.25;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM439462;MM439462;CC=CC1C=CC(=CF)O1;VZPMRTPYQAZUGJ-UHFFFAOYSA-N;140.16;2.33;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC5_SNa";;;;;;;1.64;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM439463;MM439463;N=c1nnc(O)c(O)o1;HTVYLYMGLKQWOJ-UHFFFAOYSA-N;129.08;-1.04;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP3_SP3";;;;;;;-3.07;;-10.28;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM439464;MM439464;C=CC(=O)C1NC1(C)C;VKKPCKDIKCLAOQ-UHFFFAOYSA-N;125.17;0.49;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNd_Na";;;;;;;0.87;;-1.88;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM439465;MM439465;CC=NN1CC1C(C)=NN;ZWYCLZRTSRASEF-UHFFFAOYSA-N;140.19;0.01;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP1_Nd";;;;;;;0.04;;-2.63;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM439466;MM439466;C#CC(=CCOC=C)CO;WMPJJFRLSRSBAI-UHFFFAOYSA-N;138.17;0.7;;;;;DOPC;MDCG;27;0;"MARTINI bead: P3_C4";;;;;;;0.23;;-1.03;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM439467;MM439467;CCC1OC1CC(=N)NC;KDDIFANISDYTHW-UHFFFAOYSA-N;142.2;0.75;;;;;DOPC;MDCG;27;1;"MARTINI bead: SNa_P1";;;;;;;0.04;;-7.28;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM439468;MM439468;CN=CN1C=CC(=CF)C1;KVDIBJUUUPMGDG-UHFFFAOYSA-N;140.16;1.33;;;;;DOPC;MDCG;27;1;"MARTINI bead: SNd_SNa";;;;;;;0.87;;-3.89;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM439469;MM439469;ON=c1nn[nH]n1O;POMKBWTWOWIXFI-UHFFFAOYSA-N;117.07;-1.87;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP3_SP2";;;;;;;-2.2;;-9.62;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM439470;MM439470;COC(C#N)CC1CN1C;JHCKBWGSZLPOMU-UHFFFAOYSA-N;140.19;0.23;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_SP1";;;;;;;0.04;;-2.54;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM439471;MM439471;CC#CC1CC1C(C)=NN;DFWLOPIZOYQYTE-UHFFFAOYSA-N;136.2;0.98;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC4_Nd";;;;;;;2.2;;0.32;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM439472;MM439472;C#CC(=CCOC=O)CF;PYAUWCZXJWIIDS-UHFFFAOYSA-N;142.13;0.69;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_P1";;;;;;;0.81;;-0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM439473;MM439473;CN=CN1C=CC(=NO)C1;HLEQEMVCNQDNSI-UHFFFAOYSA-N;139.16;0.3;;;;;DOPC;MDCG;27;1;"MARTINI bead: SNd_SP2";;;;;;;-0.24;;-4.47;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM439474;MM439474;CCC1OC1CC(=N)NO;CTYULTBBIJQGSV-UHFFFAOYSA-N;144.17;0.51;;;;;DOPC;MDCG;27;1;"MARTINI bead: SNa_P2";;;;;;;-0.24;;-5.18;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM439475;MM439475;C#CC1C=CC(=CF)C1=C;LTVTUSYZPOAZDS-UHFFFAOYSA-N;134.15;2.22;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC4_SC5";;;;;;;2.97;;0.45;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM439476;MM439476;C#CC(=CCON=C)CC;DZSCAAILHGFUHC-UHFFFAOYSA-N;137.18;1.59;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4_P1";;;;;;;1.37;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM439477;MM439477;CCN(C=N)CC1CN1C;WCTOMNCSKHDAOJ-UHFFFAOYSA-N;141.22;0.23;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_SP1";;;;;;;0.04;;-6.57;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM439478;MM439478;CC#CC1CC1C(C)=NO;BPODIDUYLNVGAL-UHFFFAOYSA-N;137.18;1.5;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC4_Nda";;;;;;;2.2;;0.49;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM439479;MM439479;C=C(CN)CN1CC1CC;UZTSWYKKFAVADR-UHFFFAOYSA-N;140.23;0.6;;;;;DOPC;MDCG;27;1;"MARTINI bead: SNd_P1";;;;;;;0.04;;-4.55;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM439480;MM439480;CC=NN1C=CC(=NO)C1;LDEDYUQDZIKVFA-UHFFFAOYSA-N;139.16;0.65;;;;;DOPC;MDCG;27;0;"MARTINI bead: SN0_SP2";;;;;;;0.06;;-2.21;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM439481;MM439481;CC=C1C=CC(=CC)C1C;RUODYWYXOJXFEW-UHFFFAOYSA-N;134.22;3.08;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC3_SC2";;;;;;;4.53;;0.32;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM439482;MM439482;C#CC(=CCON=C)CF;AUVNPNVCMSMNAG-UHFFFAOYSA-N;141.15;1.15;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_P1";;;;;;;0.81;;-0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM439483;MM439483;CC#CC1NC1C(F)=CC;FSCVCVPZXKQVJG-UHFFFAOYSA-N;139.17;1.22;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4_SP1";;;;;;;1.37;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM439484;MM439484;CCN(C=O)CC1CN1C;WITATKXOWVGMEJ-UHFFFAOYSA-N;142.2;-0.22;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_SP1";;;;;;;-0.79;;-3.13;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM439485;MM439485;CCC1=NOC(=NN)CO1;PQLBKTNODBOOBP-UHFFFAOYSA-N;143.15;0.03;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNa_SP1";;;;;;;0.04;;-2.54;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM439486;MM439486;C=COC=COC(C)=NN;IWLYTYIBAZPSHG-UHFFFAOYSA-N;142.16;0.93;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda_Na";;;;;;;0.87;;-1.99;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM439487;MM439487;CC=C1C=CC(=CF)C1C;FKFSQJNKLXTLIL-UHFFFAOYSA-N;138.19;2.99;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC3_SC4";;;;;;;3.9;;0.47;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM439488;MM439488;C#CC(=CCCC=C)OC;BVWVUGSAEGPBJY-UHFFFAOYSA-N;136.19;2.12;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_C3";;;;;;;2.57;;0.45;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM439489;MM439489;CC#CC1NC1C(F)=CF;BYUUSUQLKMPTGP-UHFFFAOYSA-N;143.14;1.13;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP1_C5";;;;;;;0.81;;-0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM439490;MM439490;C=NN(CC)CC1CN1C;XIWBLWRPJGEODA-UHFFFAOYSA-N;141.22;0.24;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_SP1";;;;;;;-0.79;;-3.13;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM439491;MM439491;CCC(=N)NN1CC1CC;DKZXORHPPHTXPA-UHFFFAOYSA-N;141.22;0.97;;;;;DOPC;MDCG;27;1;"MARTINI bead: SNd_Nd";;;;;;;0.87;;-5.74;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM439492;MM439492;CC1CC(C)(C)C1O;GQGKMLHFGCBELS-UHFFFAOYSA-N;114.19;1.41;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNda_SC3";;;;;;;2.57;;0.44;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM439493;MM439493;CC=C1C=CC(=NN)C1C;OKTVCEJUVPJROM-UHFFFAOYSA-N;136.2;1.45;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC3_SC5";;;;;;;3.34;;0.48;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM439494;MM439494;C#CC(=CCCC=O)OC;AVVYWSFGYUGBMK-UHFFFAOYSA-N;138.17;1.13;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_Na";;;;;;;0.87;;-2.22;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM439495;MM439495;CC#CC1NC1C(C)=NN;UARQYZMTJRLHAU-UHFFFAOYSA-N;137.19;-0.32;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP1_Nd";;;;;;;0.04;;-2.63;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM439496;MM439496;CCC1CN1NC(=N)NN;QVAZRQSMUJIKRX-UHFFFAOYSA-N;143.19;-1.02;;;;;DOPC;MDCG;27;1;"MARTINI bead: SP1_P4";;;;;;;-2.01;;-8.66;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM439497;MM439497;CNN(C=N)CC1CN1C;VWNOOGUBOKXWFP-UHFFFAOYSA-N;142.21;-0.66;;;;;DOPC;MDCG;27;1;"MARTINI bead: P4_SP1";;;;;;;-2.01;;-7.25;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM439498;MM439498;CN(C=O)OC=NN;DEJZQMGIUVSNBE-UHFFFAOYSA-N;117.11;-1.09;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_P2";;;;;;;-1.34;;-4.31;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM439499;MM439499;C=C1C(C)CC2(O)C(C)C12;QXYKYCIAGRDCBY-UHFFFAOYSA-N;138.21;1.58;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNda_SC3";;;;;;;2.57;;0.44;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM439500;MM439500;C#CC(=CCNN=C)OC;JWFDLUAHXJCLNF-UHFFFAOYSA-N;138.17;0.36;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_Nd";;;;;;;0.87;;-1.88;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM439501;MM439501;CC#CC1NC1C(C)=NO;YCIRVFBDILSOCP-UHFFFAOYSA-N;138.17;0.2;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP1_P1";;;;;;;-0.79;;-3.13;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM439502;MM439502;C=CC(=C)CC1CC1CC;QZCLMMPTKYBEFM-UHFFFAOYSA-N;136.24;3.16;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC3_C3";;;;;;;4.27;;0.2;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM439503;MM439503;C=C(F)C(=NN)OC;QCISCEFQOYZFGV-UHFFFAOYSA-N;118.11;0.39;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_C5";;;;;;;0.81;;-0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM439504;MM439504;CNN(C=O)CC1CN1C;QDSGQFCZICRIDK-UHFFFAOYSA-N;143.19;-1.11;;;;;DOPC;MDCG;27;0;"MARTINI bead: P3_SP1";;;;;;;-1.93;;-4.72;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM439505;MM439505;C=Cc1c[nH]c(=NC)n1C;HDGMPKKPLJICDR-UHFFFAOYSA-N;137.19;0.53;;;;;DOPC;MDCG;27;1;"MARTINI bead: SP1_SNd";;;;;;;0.04;;-6.38;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM439506;MM439506;C#CC(=CCOC=C)OC;SCDWDWOMTKEPMI-UHFFFAOYSA-N;138.17;1.31;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_Na";;;;;;;0.87;;-2.22;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM439507;MM439507;C=C(C=O)CC1CC1CC;YNGOZQNTMCJZGP-UHFFFAOYSA-N;138.21;2.18;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC3_Na";;;;;;;2.57;;0.45;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM439508;MM439508;CC#CC1OC1C(C)=CC;YTDZSJVTFOPDSG-UHFFFAOYSA-N;136.19;1.74;;;;;DOPC;MDCG;27;0;"MARTINI bead: C2_SNa";;;;;;;2.83;;0.35;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM439509;MM439509;CC1C=CC(=NN)C1;JJLXCGZNFACPPU-UHFFFAOYSA-N;110.16;0.9;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC4_SNd";;;;;;;2.2;;0.32;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM439510;MM439510;C=Cc1c[nH]c(=NN)n1C;APTIQIFDMIFNAL-UHFFFAOYSA-N;138.17;-0.23;;;;;DOPC;MDCG;27;1;"MARTINI bead: SNd_SP2";;;;;;;-0.24;;-5.44;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM439511;MM439511;CON(C=O)CC1CN1C;FJPIHKWNCJBMFD-UHFFFAOYSA-N;144.17;-0.68;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_SP1";;;;;;;-1.06;;-3.82;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM439512;MM439512;C#CC(=CCOC=O)OC;MZYXKAHDVPIFTB-UHFFFAOYSA-N;140.14;0.32;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_Na";;;;;;;0.87;;-2.22;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM439513;MM439513;C=C(C#N)CC1CC1CC;PIZZIZHMXRLJKN-UHFFFAOYSA-N;135.21;2.5;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC3_N0";;;;;;;2.87;;0.37;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM439514;MM439514;CC(C#N)n1oncc1=N;SWCWFRXCBCHNTA-UHFFFAOYSA-N;138.13;0.04;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP2_SP1";;;;;;;-1.06;;-3.82;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM439515;MM439515;CC=Cn1ccc(NC)n1;KLUXUXRKFTWBBI-UHFFFAOYSA-N;137.19;1.42;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNd_SNa";;;;;;;0.87;;-1.88;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM439516;MM439516;CN=c1[nH]cc(C=N)n1C;FADBBRACZLAOFQ-UHFFFAOYSA-N;138.17;-0.12;;;;;DOPC;MDCG;27;1;"MARTINI bead: SP1_SP1";;;;;;;-0.79;;-6.31;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM439517;MM439517;C#CC(=COCC=C)CC;OGTPMZXHIJRJDG-UHFFFAOYSA-N;136.19;2.12;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4_Na";;;;;;;2.2;;0.34;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM439518;MM439518;C=CC1(O)CCC(=C)C1;OZBBNOOVLMMXMB-UHFFFAOYSA-N;124.18;1.64;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC5_SC4";;;;;;;2.97;;0.45;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM439519;MM439519;C=CC(=C)CC1CC1CN;SLKVJBIQJWSFMY-UHFFFAOYSA-N;137.23;1.71;;;;;DOPC;MDCG;27;1;"MARTINI bead: SNd_C3";;;;;;;2.57;;-1.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM439520;MM439520;CC(C#N)n1oncc1=O;OLIIXOPORXHFPC-UHFFFAOYSA-N;139.11;-0.08;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP2_SP1";;;;;;;-1.06;;-3.82;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM439521;MM439521;C=Cc1c[nH]c(=NC)n1N;GUHKTPRMCVPLQX-UHFFFAOYSA-N;138.17;-0.3;;;;;DOPC;MDCG;27;1;"MARTINI bead: SP1_SP1";;;;;;;-0.79;;-6.39;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM439522;MM439522;C#CC(=COCC=O)CC;SSWNJANTAOWGGK-UHFFFAOYSA-N;138.17;1.13;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4_P2";;;;;;;1.09;;-0.38;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM439523;MM439523;COC(=NN)C(C)(C)F;KBPKEQIHDPGJHH-UHFFFAOYSA-N;134.15;0.65;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_C5";;;;;;;0.81;;-0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM439524;MM439524;C=CC(CN)CN1CC1C;GSZRVXAAYWTLER-UHFFFAOYSA-N;140.23;0.45;;;;;DOPC;MDCG;27;1;"MARTINI bead: SNd_Nd";;;;;;;0.87;;-4.56;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM439525;MM439525;CC=NN=COC(C)=NN;DXYXMIZURNWTDT-UHFFFAOYSA-N;142.16;0.33;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_P2";;;;;;;0.54;;-1.09;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM439526;MM439526;CC(C#N)n1ocnc1=N;ADURCFIVCKDOBI-UHFFFAOYSA-N;138.13;0.04;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP1_SP1";;;;;;;-0.79;;-3.13;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM439527;MM439527;C#CC(=COCC#N)CC;ZZAQJOBFMVLPKB-UHFFFAOYSA-N;135.17;1.45;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_C3";;;;;;;1.74;;0.29;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM439528;MM439528;C=NNC(C)=C(C)C#N;JUAQONSNQGMQJN-UHFFFAOYSA-N;123.16;1.01;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_C5";;;;;;;0.81;;-0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM439529;MM439529;C=Cc1c[nH]c(=NN)n1N;ATPPZFZKIVBBSO-UHFFFAOYSA-N;139.16;-1.05;;;;;DOPC;MDCG;27;1;"MARTINI bead: SP2_SP1";;;;;;;-1.06;;-5.61;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM439530;MM439530;C=C(C)OC(CF)=NN;ORWTXKULIFSTBW-UHFFFAOYSA-N;132.14;0.78;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4_P2";;;;;;;1.09;;-0.38;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM439531;MM439531;C#CC(C)n1oncc1=N;HXVAEHMMKRKOIA-UHFFFAOYSA-N;137.14;0.15;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP1_SP1";;;;;;;-0.79;;-3.13;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM439532;MM439532;CC#CC=COC(C)=NN;SLWBLOHUWWCWAP-UHFFFAOYSA-N;138.17;0.83;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4_P2";;;;;;;1.09;;-0.38;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM439533;MM439533;C#CC(=COCC=C)CN;XXPCZOCUXSFOHJ-UHFFFAOYSA-N;137.18;0.66;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_Na";;;;;;;0.87;;-3.56;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM439534;MM439534;CCCCC(O)C(C)C;QGVFLDUEHSIZIG-UHFFFAOYSA-N;130.23;2.19;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_C3";;;;;;;3.34;;0.48;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM439535;MM439535;C=CCNC(C)=NN=CC;NYENVXCICJSEEC-UHFFFAOYSA-N;139.2;1.19;;;;;DOPC;MDCG;27;0;"MARTINI bead: C3_P1";;;;;;;1.74;;0.29;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM439536;MM439536;CC1=NC(=NN)NC1=N;LYDAYYJXLXLKDX-UHFFFAOYSA-N;125.14;-0.74;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP1_SP2";;;;;;;-1.06;;-3.82;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM439537;MM439537;CCC1CC1CC(=O)C#N;CVJNQPNDHGKMKG-UHFFFAOYSA-N;137.18;1.52;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC3_P1";;;;;;;1.74;;0.29;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM439538;MM439538;C#CC(C)n1oncc1=O;NXYMVWVIVXMSOD-UHFFFAOYSA-N;138.13;0.03;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP2_SP1";;;;;;;-1.06;;-3.82;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM439539;MM439539;C#CC(=COCC=C)CO;FAQCCRCONZMWFO-UHFFFAOYSA-N;138.17;0.7;;;;;DOPC;MDCG;27;0;"MARTINI bead: P3_C4";;;;;;;0.23;;-1.03;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM439540;MM439540;CN=c1[nH]nno1;DFNPJGBGAVBDDA-UHFFFAOYSA-N;100.08;-1.07;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP2_SP2";;;;;;;-1.34;;-9.28;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM439541;MM439541;CN=c1[nH]cc(C=N)n1N;FYQUHBMZOWBFCQ-UHFFFAOYSA-N;139.16;-0.94;;;;;DOPC;MDCG;27;1;"MARTINI bead: SP1_SP2";;;;;;;-1.06;;-6.5;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM439542;MM439542;C=NNCC(C#N)NC;FDPZCVHZNJUXTB-UHFFFAOYSA-N;126.16;-0.7;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_P1";;;;;;;-0.79;;-3.13;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM439543;MM439543;C=CC(=O)OC1CC1CC;RLNNEVPYFVWKOU-UHFFFAOYSA-N;140.18;1.51;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC3_Na";;;;;;;2.57;;0.45;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM439544;MM439544;C#CC(C)n1ocnc1=N;BKWZMWTXLBLWFE-UHFFFAOYSA-N;137.14;0.15;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP1_SP1";;;;;;;-0.79;;-3.13;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM439545;MM439545;COC(=N)NOC=NN;PZMVRJVWWXAHET-UHFFFAOYSA-N;132.12;-1.01;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_P2";;;;;;;-1.06;;-3.82;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM439546;MM439546;C#CC(=COCC=O)CO;XDVOBGZCANITRN-UHFFFAOYSA-N;140.14;-0.29;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda_P2";;;;;;;-0.24;;-3.31;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM439547;MM439547;N=Cc1c[nH]c(=NN)n1N;RMRDJOHRXDENSZ-UHFFFAOYSA-N;140.15;-1.7;;;;;DOPC;MDCG;27;1;"MARTINI bead: SP2_SP2";;;;;;;-1.34;;-5.88;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM439548;MM439548;CC1CN1CC(C#N)CF;IALKUJQSPOFPIG-UHFFFAOYSA-N;142.18;0.8;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNd_Na";;;;;;;0.87;;-1.88;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM439549;MM439549;C=C(C#N)CC1OC1CC;XDPIEJIUSBNUBO-UHFFFAOYSA-N;137.18;1.63;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNa_N0";;;;;;;1.17;;-1.18;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM439550;MM439550;CCCC(C)C(O)CC;BKQICAFAUMRYLZ-UHFFFAOYSA-N;130.23;2.19;;;;;DOPC;MDCG;27;0;"MARTINI bead: C3_C5";;;;;;;3.34;;0.48;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM439551;MM439551;C#CC(C)n1ocnc1=O;SGINJGZSBCEQAW-UHFFFAOYSA-N;138.13;0.03;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP1_SP1";;;;;;;-0.79;;-3.13;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM439552;MM439552;N=Cc1c[nH]c(=NO)n1N;UPTUFQHFPNMKFN-UHFFFAOYSA-N;141.13;-1.18;;;;;DOPC;MDCG;27;1;"MARTINI bead: SP2_SP3";;;;;;;-2.2;;-6.22;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM439553;MM439553;C#CC(=COCC=C)CF;BORQZEYWERYGJU-UHFFFAOYSA-N;140.16;1.68;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_Na";;;;;;;1.64;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM439554;MM439554;C#CC(=C)CC1CC1CC;NYIBSFXLJMXNGR-UHFFFAOYSA-N;134.22;2.61;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC3_C5";;;;;;;3.34;;0.48;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM439555;MM439555;C=CC(CN1CC1C)NC;YIWZFVAANUCFRO-UHFFFAOYSA-N;140.23;0.46;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_SNd";;;;;;;0.87;;-4.05;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM439556;MM439556;CC=Cn1ncc(NO)n1;VJWJNUMDMQTORX-UHFFFAOYSA-N;140.15;0.57;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNa_SP2";;;;;;;-0.24;;-3.24;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM439557;MM439557;N=c1cnon1C(=O)NN;CODYYLJKEFIIJD-UHFFFAOYSA-N;143.11;-1.61;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP3_SP1";;;;;;;-1.93;;-4.72;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM439558;MM439558;C#CC(=COCC=C)OC;HTKBYQWKVLQFNE-UHFFFAOYSA-N;138.17;1.31;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_Na";;;;;;;0.87;;-2.22;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM439559;MM439559;C=Cc1c[nH]c(=NC)n1O;FQFWYFATOFZKAU-UHFFFAOYSA-N;139.16;0.23;;;;;DOPC;MDCG;27;1;"MARTINI bead: SP1_SP1";;;;;;;-0.79;;-4.81;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM439560;MM439560;C#CC(=C)CC1CC1CN;MAGKQWNFMPQKDW-UHFFFAOYSA-N;135.21;1.16;;;;;DOPC;MDCG;27;1;"MARTINI bead: SNd_C5";;;;;;;1.64;;-2.7;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM439561;MM439561;CNC(C#N)CN1CC1C;OCPRHWGPEDVEGB-UHFFFAOYSA-N;139.2;-0.2;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_SNd";;;;;;;-0.24;;-3.16;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM439562;MM439562;CC#CC1C=CC(=CC)C1;QRAICBPJFZLOAF-UHFFFAOYSA-N;132.21;2.53;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC3_SC4";;;;;;;3.9;;0.47;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM439563;MM439563;CNC(=O)n1oncc1=O;NBYDGYRCKBHQKJ-UHFFFAOYSA-N;143.1;-0.98;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP2_SP1";;;;;;;-1.06;;-3.82;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM439564;MM439564;C=C1CC2C(C1=C)C2(C)O;NNWZGBBTRNHBGJ-UHFFFAOYSA-N;136.19;1.5;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNda_SC4";;;;;;;2.2;;0.49;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM439565;MM439565;C=Cc1c[nH]c(=NO)n1O;RIEPOAZYQFFZGO-UHFFFAOYSA-N;141.13;-0.01;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP3_SP1";;;;;;;-1.93;;-4.72;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM439566;MM439566;CCOC(CCOC)=NN;XJLAMLXCEABQOX-UHFFFAOYSA-N;146.19;0.33;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_P2";;;;;;;0.54;;-1.09;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM439567;MM439567;COC1=COC(=NN)C1;XNLHSGAGGXZGCM-UHFFFAOYSA-N;128.13;0.17;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNa_SNda";;;;;;;0.87;;-1.99;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM439568;MM439568;C=C(OC)n1oncc1=N;CISVQMPWXJFFCA-UHFFFAOYSA-N;141.13;0.03;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP2_SP1";;;;;;;-1.06;;-3.82;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM439569;MM439569;CC#CC1C=CC(=CF)C1;FMRNELYECXMHJV-UHFFFAOYSA-N;136.17;2.44;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC4_SC4";;;;;;;3.53;;0.53;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM439570;MM439570;CCC(C)=NNC(=N)C#N;GEXAJUXIPLMLKD-UHFFFAOYSA-N;138.17;0.86;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_P2";;;;;;;0.54;;-1.09;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM439571;MM439571;N=Cc1c[nH]c(=NO)n1O;JTZVPGMPYHOZRC-UHFFFAOYSA-N;142.12;-0.66;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP3_SP2";;;;;;;-2.2;;-5.19;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM439572;MM439572;C#CC(=O)NC1CC1CC;ABBGWGJTQKTZOG-UHFFFAOYSA-N;137.18;0.53;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC3_P2";;;;;;;1.46;;-0.15;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM439573;MM439573;C#CC(CC)CC1CC1C;NDKIEFXVDFTHBF-UHFFFAOYSA-N;136.24;2.69;;;;;DOPC;MDCG;27;0;"MARTINI bead: C3_SC5";;;;;;;3.34;;0.48;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM439574;MM439574;COC(=N)n1oncc1=N;PUNJISXKAIEQQC-UHFFFAOYSA-N;142.12;-0.62;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP2_SP1";;;;;;;-1.06;;-3.82;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM439575;MM439575;C#CCC(=NN)ON=C;NTEPDGMOVGMGNK-UHFFFAOYSA-N;125.13;-0.09;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_N0";;;;;;;0.34;;-1.53;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM439576;MM439576;C#CC(CN)CC1CC1C;TVOLMZQFSAOATH-UHFFFAOYSA-N;137.23;1.24;;;;;DOPC;MDCG;27;1;"MARTINI bead: SC5_Nd";;;;;;;1.64;;-2.37;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM439577;MM439577;CN=C1C=NC(=NO)N1C;SGGSJPYMZQNEBK-UHFFFAOYSA-N;140.15;-0.22;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP1_SP2";;;;;;;-1.06;;-3.82;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM439578;MM439578;C#CC(=O)OC1CC1CC;PKCJANHSXROETR-UHFFFAOYSA-N;138.17;0.96;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC3_P1";;;;;;;1.74;;0.29;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM439579;MM439579;C#CC(CC)=NOCC=C;GZVMDRURKXDDDU-UHFFFAOYSA-N;137.18;1.59;;;;;DOPC;MDCG;27;0;"MARTINI bead: N0_Na";;;;;;;1.17;;-1.18;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM439580;MM439580;COC(=O)n1oncc1=N;POVCBMUJGHPYRT-UHFFFAOYSA-N;143.1;-0.43;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP2_SP1";;;;;;;-1.06;;-3.82;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM439581;MM439581;CC#CC1C=CC(=NO)C1;PBHYDWMAJWJQTB-UHFFFAOYSA-N;135.17;1.42;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC4_SNda";;;;;;;2.2;;0.49;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM439582;MM439582;C=CC1CC(O)(C=C)C1C;XGEZOBKVQVHMDE-UHFFFAOYSA-N;138.21;1.75;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC4_SNda";;;;;;;2.2;;0.49;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM439583;MM439583;NN=C1CN=C(NN)O1;VGWWWSNVHJXAOW-UHFFFAOYSA-N;129.12;-1.89;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP2_SP1";;;;;;;-1.06;;-3.82;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM439584;MM439584;C#CC(=C)CC1NC1CN;ACAPYICOHRAHTL-UHFFFAOYSA-N;136.2;-0.14;;;;;DOPC;MDCG;27;1;"MARTINI bead: SP2_C5";;;;;;;0.54;;-3.02;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM439585;MM439585;CN=c1[nH]cc(N=N)n1C;HKGUZDADEDFYLH-UHFFFAOYSA-N;139.16;0.55;;;;;DOPC;MDCG;27;1;"MARTINI bead: SP1_SP2";;;;;;;-1.06;;-5.38;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM439586;MM439586;C=C(OC)n1oncc1=O;OFNLUDMJKMSDNK-UHFFFAOYSA-N;142.11;-0.09;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP2_SP1";;;;;;;-1.06;;-3.82;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM439587;MM439587;CC#CC1C=CC(=NC)N1;CTUZXUMCMASBAI-UHFFFAOYSA-N;134.18;0.57;;;;;DOPC;MDCG;27;1;"MARTINI bead: SNd_SN0";;;;;;;1.17;;-2.49;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM439588;MM439588;C#CC(CO)=NOCC#N;ACFLOEIESHMFIH-UHFFFAOYSA-N;138.13;-0.49;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_Nda";;;;;;;-0.24;;-3.31;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM439589;MM439589;C#CC(=C)CC1OC1CC;KDSWXSATEYHXOW-UHFFFAOYSA-N;136.19;1.74;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNa_C5";;;;;;;1.64;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM439590;MM439590;C#CC(CF)CC1CC1C;LIXAYGWWGGVRHL-UHFFFAOYSA-N;140.2;2.25;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC5_Na";;;;;;;1.64;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM439591;MM439591;Cn1c(N=N)c[nH]c1=NO;FOEYCHPZHDOTBL-UHFFFAOYSA-N;141.13;0.31;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP2_SP3";;;;;;;-2.2;;-5.19;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM439592;MM439592;COC(=N)n1oncc1=O;MYQCRBHGTZDBQN-UHFFFAOYSA-N;143.1;-0.73;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP2_SP1";;;;;;;-1.06;;-3.82;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM439593;MM439593;C=NOC(C=CN)=NN;BPQLSQNYAIFEIX-UHFFFAOYSA-N;128.14;-0.64;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_Nda";;;;;;;-0.24;;-3.31;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM439594;MM439594;C#CC(=NOCC=C)OC;ZNVWGPZDWRXNAC-UHFFFAOYSA-N;139.15;0.78;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_Na";;;;;;;0.87;;-2.22;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM439595;MM439595;C#CC(CC)CC1CC1N;YNQROZTXJNADRB-UHFFFAOYSA-N;137.23;1.38;;;;;DOPC;MDCG;27;1;"MARTINI bead: C3_SNd";;;;;;;2.57;;-1.36;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM439596;MM439596;C=CC1CC1CC(=C)CC;QIKCABHPJREDIU-UHFFFAOYSA-N;136.24;3.16;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1_SC4";;;;;;;4.24;;0.42;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM439597;MM439597;COC(=O)n1oncc1=O;CVONECAJRBVHRH-UHFFFAOYSA-N;144.09;-0.55;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP2_SP1";;;;;;;-1.06;;-3.82;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM439598;MM439598;Cn1c(N=O)c[nH]c1=NO;HNIXZEMRPYHXGL-UHFFFAOYSA-N;142.12;0.04;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP1_SP2";;;;;;;-1.06;;-3.82;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM439599;MM439599;CC#CC1C=CC(=CC)O1;WUIJUTFIODEZRQ-UHFFFAOYSA-N;134.18;1.87;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC5_SC5";;;;;;;2.41;;0.64;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM439600;MM439600;C#CCCC=C(C#C)CC;LHTCPOJIWYYXER-UHFFFAOYSA-N;132.21;2.37;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4_C5";;;;;;;2.97;;0.45;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM439601;MM439601;C=CC1CC1CC(=C)CF;LZVMNXIPWWQBCG-UHFFFAOYSA-N;140.2;2.72;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4_SC4";;;;;;;3.53;;0.53;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM439602;MM439602;CN=c1[nH]cc(N=N)n1N;YQCMFGSDEOMNDX-UHFFFAOYSA-N;140.15;-0.28;;;;;DOPC;MDCG;27;1;"MARTINI bead: SP1_SP2";;;;;;;-1.06;;-4.97;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM439603;MM439603;C#CC(CN)CC1CC1N;XXXGURPPDLJKCC-UHFFFAOYSA-N;138.21;-0.07;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_SP1";;;;;;;0.04;;-5.49;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM439604;MM439604;C=CC(C)N=C(C)NN=C;NCTXFZUPDRJZDO-UHFFFAOYSA-N;139.2;1.18;;;;;DOPC;MDCG;27;0;"MARTINI bead: C3_P1";;;;;;;1.74;;0.29;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM439605;MM439605;CC#CC1C=CC(=CF)O1;WOLYYNLYWSBSTE-UHFFFAOYSA-N;138.14;1.78;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC5_SNa";;;;;;;1.64;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM439606;MM439606;C#CCCC=C(C#C)CN;CVTUOFPJEVMQPU-UHFFFAOYSA-N;133.19;0.92;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_C5";;;;;;;1.64;;-1.69;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM439607;MM439607;N#CC1CC1CC(=O)CO;DRKUUGYECIOSFB-UHFFFAOYSA-N;139.15;0.1;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_SN0";;;;;;;0.06;;-2.21;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM439608;MM439608;CNC(=O)n1ocnc1=O;SUDIENCJFLLZIF-UHFFFAOYSA-N;143.1;-0.98;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP2_SP1";;;;;;;-1.06;;-3.82;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM439609;MM439609;C#CC(CO)CC1CC1N;ZZCBIFKMZJKBLJ-UHFFFAOYSA-N;139.2;-0.03;;;;;DOPC;MDCG;27;1;"MARTINI bead: SNd_Nda";;;;;;;0.87;;-4.56;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM439610;MM439610;N=Nc1c[nH]c(=NO)n1N;QHHPPZOHOJIPEH-UHFFFAOYSA-N;142.12;-0.52;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP2_SP3";;;;;;;-2.2;;-5.19;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM439611;MM439611;C=COC(=NN)C(C)F;UZEDRECXGUADMS-UHFFFAOYSA-N;132.14;0.78;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_Nda";;;;;;;1.64;;0.05;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM439612;MM439612;C#CCCC=C(C#C)CO;LLXBDWIWECGNGW-UHFFFAOYSA-N;134.18;0.95;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda_C5";;;;;;;1.64;;0.05;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM439613;MM439613;N#CC1CC1CC(=O)CF;HDDJLCFEHGXUFN-UHFFFAOYSA-N;141.15;1.07;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_SN0";;;;;;;1.17;;-1.18;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM439614;MM439614;C=C(OC)n1ocnc1=N;PMZWHMUMPLWLLC-UHFFFAOYSA-N;141.13;0.03;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP1_SP1";;;;;;;-0.79;;-3.13;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM439615;MM439615;C=NNC(C#N)C(F)=CF;KEXHXAKPLFERQZ-UHFFFAOYSA-N;145.11;0.86;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_P1";;;;;;;0.81;;-0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM439616;MM439616;CC(C1CC1)C1(O)CC1;GOTPMVNJZRFGHS-UHFFFAOYSA-N;126.2;1.56;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC3_SP1";;;;;;;1.74;;0.29;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM439617;MM439617;CC#CC1C=CC(=NO)O1;ONUWKAZKRULTFA-UHFFFAOYSA-N;137.14;0.75;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC5_SP1";;;;;;;0.81;;-0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM439618;MM439618;C#CCCC=C(C#C)CF;VITBJMLJFRSMPM-UHFFFAOYSA-N;136.17;1.93;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_C5";;;;;;;2.41;;0.64;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM439619;MM439619;C=CC1CC1CC(=N)NC;FWPFVIVAMHZECN-UHFFFAOYSA-N;138.21;1.4;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1_SC4";;;;;;;1.37;;-5.12;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM439620;MM439620;COC(=N)n1ocnc1=N;YAFYPSKVHBXBTK-UHFFFAOYSA-N;142.12;-0.62;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP2_SP1";;;;;;;-1.06;;-3.82;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM439621;MM439621;Nn1c(N=O)c[nH]c1=NO;LWLFFHMTCSNHAD-UHFFFAOYSA-N;143.11;-0.78;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP1_SP3";;;;;;;-1.93;;-4.72;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM439622;MM439622;O=CC1NC1C#CCF;HEUNKPZKWQFSTL-UHFFFAOYSA-N;127.12;-0.5;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_SP2";;;;;;;-0.24;;-3.24;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM439623;MM439623;CCC=C1C=CC(CC)C1;FEMCAGJRVWMFME-UHFFFAOYSA-N;136.24;3.31;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC2_SC2";;;;;;;4.78;;0.59;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM439624;MM439624;C=CC1CC1CC(=N)NN;HCDYYAMYNJPYKO-UHFFFAOYSA-N;139.2;0.64;;;;;DOPC;MDCG;27;1;"MARTINI bead: P2_SC4";;;;;;;1.09;;-4.05;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM439625;MM439625;C#CCCC=C(C#C)OC;QRYANRZGTGRFGJ-UHFFFAOYSA-N;134.18;1.56;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_C5";;;;;;;1.64;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM439626;MM439626;COC(=O)n1ocnc1=N;BFDLSONIBOIDGK-UHFFFAOYSA-N;143.1;-0.43;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP2_SP1";;;;;;;-1.06;;-3.82;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM439627;MM439627;C=CNC(=NN=CC)OC;TXIWIQKDPAVFSE-UHFFFAOYSA-N;141.17;0.73;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_C5";;;;;;;0.81;;-0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM439628;MM439628;O=CC#CC(F)C1CN1;MJAPNEYQAUUPLR-UHFFFAOYSA-N;127.12;-0.5;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_SP2";;;;;;;-0.24;;-3.24;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM439629;MM439629;CCC1C=CC(=CCN)C1;CTXFOOOZEWUCBS-UHFFFAOYSA-N;137.23;1.86;;;;;DOPC;MDCG;27;1;"MARTINI bead: SC2_SNd";;;;;;;2.83;;-0.23;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM439630;MM439630;COC(=N)n1ocnc1=O;GIQYMQZRRNJYOA-UHFFFAOYSA-N;143.1;-0.73;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP2_SP1";;;;;;;-1.06;;-3.82;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM439631;MM439631;CNC(=N)CC1CC1C#N;UTWGLQNITQMUEY-UHFFFAOYSA-N;137.19;0.73;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1_SN0";;;;;;;0.34;;-6.72;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM439632;MM439632;C=C1C(=CC)C=CC1=CC;FCUGUBYVLOHLMM-UHFFFAOYSA-N;132.21;3.01;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC3_SC2";;;;;;;4.53;;0.32;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM439633;MM439633;C#CCOC=C(C#C)CC;QXXQHPPADATVJT-UHFFFAOYSA-N;134.18;1.56;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4_P2";;;;;;;1.09;;-0.38;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM439634;MM439634;C#CC(CC)CC1CC1F;DGIBOBBMZOPIOI-UHFFFAOYSA-N;140.2;2.39;;;;;DOPC;MDCG;27;0;"MARTINI bead: C3_SNa";;;;;;;2.57;;0.45;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM439635;MM439635;CCC1C=CC(=CCO)C1;CDXPXYJSQYWVIB-UHFFFAOYSA-N;138.21;1.89;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC2_SNda";;;;;;;2.83;;0.57;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM439636;MM439636;N#CC1CC1CC(=N)NO;VPNNHSHHDRTRMD-UHFFFAOYSA-N;139.16;0.49;;;;;DOPC;MDCG;27;1;"MARTINI bead: P2_SN0";;;;;;;0.06;;-4.74;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM439637;MM439637;C#CCOC=C(C#C)CO;UQRLFLPJNLTZMF-UHFFFAOYSA-N;136.15;0.15;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_Nda";;;;;;;0.87;;-1.99;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM439638;MM439638;COC(=O)n1ocnc1=O;IDMHGLHSGXGPFU-UHFFFAOYSA-N;144.09;-0.55;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP1_SP1";;;;;;;-0.79;;-3.13;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM439639;MM439639;C=C1C(=CC)C=CC1=CF;FLPNXDTWWOHRRH-UHFFFAOYSA-N;136.17;2.91;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC3_SC4";;;;;;;3.9;;0.47;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM439640;MM439640;C#CC(CF)CC1CC1F;HQXOUFDQKRBUCR-UHFFFAOYSA-N;144.16;1.95;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_SNa";;;;;;;0.87;;-2.22;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM439641;MM439641;CCC=C1C=CC(CN)C1;WBDSNBJUHCTUBT-UHFFFAOYSA-N;137.23;1.86;;;;;DOPC;MDCG;27;1;"MARTINI bead: SC2_SNd";;;;;;;2.83;;-0.71;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM439642;MM439642;C=CC1CC1CC(=C)OC;LZWIOSWPJNZSFA-UHFFFAOYSA-N;138.21;2.36;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_SC4";;;;;;;2.97;;0.45;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM439643;MM439643;C#CCOC=C(C#C)OC;CATFBXPPSXOITP-UHFFFAOYSA-N;136.15;0.76;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_Na";;;;;;;0.87;;-2.22;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM439644;MM439644;C=C(C#N)n1oncc1=N;DRDOAFLAQRUVFX-UHFFFAOYSA-N;136.11;-0.05;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP2_SP1";;;;;;;-1.06;;-3.82;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM439645;MM439645;C=C1C(=CF)C=CC1=NN;ZPLLONFYAFNLFE-UHFFFAOYSA-N;138.15;1.28;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNd_SC4";;;;;;;2.2;;0.32;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM439646;MM439646;C#CC(CC1CC1C)NC;WCRXDWNETWTBBV-UHFFFAOYSA-N;137.23;1.25;;;;;DOPC;MDCG;27;1;"MARTINI bead: P2_SC5";;;;;;;0.54;;-3.07;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM439647;MM439647;NCC=C1C=CC(CN)C1;DKXKRJQASWUOGU-UHFFFAOYSA-N;138.21;0.41;;;;;DOPC;MDCG;27;1;"MARTINI bead: SNd_SNd";;;;;;;0.87;;-4.99;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM439648;MM439648;COC(=O)CC1CC1C#N;KMWAUCMXDKCKLW-UHFFFAOYSA-N;139.15;0.71;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_SN0";;;;;;;1.17;;-1.18;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM439649;MM439649;C=C1C(=CF)C=CC1=NO;SKBBQVRTMWULGR-UHFFFAOYSA-N;139.13;1.8;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNda_SC4";;;;;;;2.2;;0.5;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM439650;MM439650;C=CC1=CCC(O)(C=C)C1;BXVYPCLLTQDSRC-UHFFFAOYSA-N;136.19;1.81;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNda_SC3";;;;;;;2.57;;0.44;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM439651;MM439651;C#CC(CC1CC1N)NC;UWTLFDRYUWOTIO-UHFFFAOYSA-N;138.21;-0.06;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1_SP1";;;;;;;-0.79;;-5.86;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM439652;MM439652;N#CC(=O)n1oncc1=N;PUJDTVBNKHOUBU-UHFFFAOYSA-N;138.09;-0.88;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP1_SP3";;;;;;;-1.93;;-4.72;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM439653;MM439653;N#CC1CC1NC(=O)CO;MHAGCDOXIUQHAD-UHFFFAOYSA-N;140.14;-0.99;;;;;DOPC;MDCG;27;0;"MARTINI bead: P4_SN0";;;;;;;-0.88;;-3.74;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM439654;MM439654;NCC1C=CC(=CCO)C1;JHJASNGMCQWJJL-UHFFFAOYSA-N;139.2;0.44;;;;;DOPC;MDCG;27;1;"MARTINI bead: SNd_SNda";;;;;;;0.87;;-4.68;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM439655;MM439655;C=C1C(=CN)C=NC1=NO;BOUHWIJQQPFVHA-UHFFFAOYSA-N;137.14;0.26;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNd_SNda";;;;;;;0.87;;-1.92;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM439656;MM439656;C=C(C#N)n1oncc1=O;NCDWXEAVOLWVED-UHFFFAOYSA-N;137.1;-0.17;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP1_SP1";;;;;;;-0.79;;-3.13;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM439657;MM439657;C=CC(CC)CC(O)CC;JUJGGPBUQWFJFP-UHFFFAOYSA-N;142.24;2.36;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda_C1";;;;;;;2.91;;0.57;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM439658;MM439658;C#CC(CC1CC1O)NC;BDDYRYHOQGUVPX-UHFFFAOYSA-N;139.2;-0.02;;;;;DOPC;MDCG;27;1;"MARTINI bead: P2_SNda";;;;;;;-0.24;;-5;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM439659;MM439659;C=C(CO)OC1CC1C#N;IRKCRYCXAOWWLO-UHFFFAOYSA-N;139.15;0.42;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_SN0";;;;;;;0.06;;-2.21;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM439660;MM439660;CC(F)C(=NN)OC=O;ISMGLECECILORH-UHFFFAOYSA-N;134.11;-0.21;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_Nda";;;;;;;0.04;;-2.73;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM439661;MM439661;C=C1C(=CF)C=NC1=NC;LSHQXMXOYHHUOL-UHFFFAOYSA-N;138.15;1.51;;;;;DOPC;MDCG;27;0;"MARTINI bead: SN0_SC5";;;;;;;1.94;;0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM439662;MM439662;C#CC(CC1CC1F)NC;YLGACAKDASWANU-UHFFFAOYSA-N;141.19;0.96;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1_SNa";;;;;;;0.04;;-4.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM439663;MM439663;N#CC(=N)n1oncc1=O;HAOGXNLBXBEJAH-UHFFFAOYSA-N;138.09;-0.81;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP3_SP1";;;;;;;-1.93;;-4.72;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM439664;MM439664;C#CCON=C(C#C)OC;ANFWCCBYKSEORR-UHFFFAOYSA-N;137.14;0.23;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_Na";;;;;;;0.87;;-2.22;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM439665;MM439665;NCC=C1C=CC(CO)C1;WVONZLDOQLPYAP-UHFFFAOYSA-N;139.2;0.44;;;;;DOPC;MDCG;27;1;"MARTINI bead: SNd_SNda";;;;;;;0.87;;-4.15;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM439666;MM439666;CCC(=O)OC1CC1C#N;BGYAFNIVLQZBRX-UHFFFAOYSA-N;139.15;0.85;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_SN0";;;;;;;1.17;;-1.18;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM439667;MM439667;CCC1=CCC(CC)C1C;PBJIHTJQBXCFKT-UHFFFAOYSA-N;138.25;3.39;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC2_SC1";;;;;;;4.87;;0.53;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM439668;MM439668;C#CC(CC1CC1C)OC;CIPVZWKVYUETGH-UHFFFAOYSA-N;138.21;1.68;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_SC5";;;;;;;1.64;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM439669;MM439669;N#CC(=O)n1oncc1=O;BMRXABWXLLIJEL-UHFFFAOYSA-N;139.07;-1;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP2_SP1";;;;;;;-1.06;;-3.82;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM439670;MM439670;C=CC(C=C)=CCCCC;ZJVUDJZRDMPPQW-UHFFFAOYSA-N;136.24;3.48;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1_C2";;;;;;;4.87;;0.53;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM439671;MM439671;COC(=O)OC1CC1C#N;OTOBDDDSZNVORI-UHFFFAOYSA-N;141.13;0.68;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_SN0";;;;;;;1.17;;-1.18;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM439672;MM439672;OCC=C1C=CC(CO)C1;NDNFBAURZMDESJ-UHFFFAOYSA-N;140.18;0.47;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNda_SNda";;;;;;;0.87;;-2.07;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM439673;MM439673;CCC1CC=C(CN)C1C;OTIHWDWNBDTGIM-UHFFFAOYSA-N;139.24;1.94;;;;;DOPC;MDCG;27;1;"MARTINI bead: SC2_SC4";;;;;;;4.16;;0.67;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM439674;MM439674;C#CC(CC1CC1N)OC;JBAUDSZLNNDMBY-UHFFFAOYSA-N;139.2;0.37;;;;;DOPC;MDCG;27;1;"MARTINI bead: Na_SP1";;;;;;;0.04;;-5.17;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM439675;MM439675;C=C(C#N)n1ocnc1=N;HYLCGSYDPRJJGN-UHFFFAOYSA-N;136.11;-0.05;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP1_SP1";;;;;;;-0.79;;-3.13;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM439676;MM439676;C=CC(C=C)=CCCCN;UEHXDRRXQYRDAY-UHFFFAOYSA-N;137.23;2.02;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_C2";;;;;;;2.83;;-0.74;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM439677;MM439677;C#CCOC(CCF)=NN;CMOCSFNPEHNEDJ-UHFFFAOYSA-N;144.15;0.27;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_N0";;;;;;;0.34;;-1.53;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM439678;MM439678;CCN=NC(=CNN)OC;IAQNFVMSVYPULP-UHFFFAOYSA-N;144.18;0.37;;;;;DOPC;MDCG;27;0;"MARTINI bead: C3_P3";;;;;;;0.6;;-0.8;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM439679;MM439679;CCC=C1C=CC(CF)C1;KPXKLDTVNALRPE-UHFFFAOYSA-N;140.2;2.87;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC2_SC5";;;;;;;3.6;;0.34;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM439680;MM439680;C#CC(CC1CC1O)OC;PJXFNBXQQCSZTR-UHFFFAOYSA-N;140.18;0.41;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_SP1";;;;;;;0.04;;-2.54;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM439681;MM439681;N#CC(=O)n1ocnc1=N;ALEAWAVHMUJOKM-UHFFFAOYSA-N;138.09;-0.88;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP1_SP2";;;;;;;-1.06;;-3.82;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM439682;MM439682;CON=CC(F)C=NOC;DEGBLYYWAVVQTB-UHFFFAOYSA-N;148.14;0.59;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_P2";;;;;;;0.54;;-1.09;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM439683;MM439683;C=COC(CCOC)=NN;ZPWAYBQJCOWLRW-UHFFFAOYSA-N;144.17;0.46;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_C5";;;;;;;0.81;;-0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM439684;MM439684;CCC1CC=C(CF)C1C;GUCNESOICRGNOZ-UHFFFAOYSA-N;142.22;2.95;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC2_SC4";;;;;;;4.16;;0.44;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM439685;MM439685;C#CC(CC1CC1F)OC;OTPPXTGWPZABIB-UHFFFAOYSA-N;142.17;1.38;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_SNa";;;;;;;0.87;;-2.22;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM439686;MM439686;NCC=C1C=CC(CF)C1;KYSSGYIRZJUHHJ-UHFFFAOYSA-N;141.19;1.42;;;;;DOPC;MDCG;27;1;"MARTINI bead: SNd_SC5";;;;;;;1.64;;-2.13;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM439687;MM439687;C=C(C#N)n1ocnc1=O;LJTPRABZHXIPFH-UHFFFAOYSA-N;137.1;-0.17;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP1_SP1";;;;;;;-0.79;;-3.13;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM439688;MM439688;COC(=O)CC1NC1C#N;MGXIOZMBSWQAPZ-UHFFFAOYSA-N;140.14;-0.59;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_SP2";;;;;;;-0.24;;-3.24;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM439689;MM439689;C=CC(C=O)=CCCCC;QQUUITDMWQNIID-UHFFFAOYSA-N;138.21;2.49;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1_Na";;;;;;;2.91;;0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM439690;MM439690;CCC1=CCC(CN)C1C;NKSKOCJROUWVDD-UHFFFAOYSA-N;139.24;1.94;;;;;DOPC;MDCG;27;1;"MARTINI bead: SC1_SNd";;;;;;;2.91;;-0.54;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM439691;MM439691;C#CC(CC)NC1CC1C;ZMIRIXNAPRPAOV-UHFFFAOYSA-N;137.23;1.4;;;;;DOPC;MDCG;27;1;"MARTINI bead: C3_SNd";;;;;;;2.57;;-0.63;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM439692;MM439692;CCC=C1C=CC(NC)C1;IXMLPOZKMLIUAM-UHFFFAOYSA-N;137.23;1.87;;;;;DOPC;MDCG;27;1;"MARTINI bead: SC2_SNd";;;;;;;2.83;;-0.31;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM439693;MM439693;N#CC(=N)n1ocnc1=O;CCAZEUPSWPGCBB-UHFFFAOYSA-N;138.09;-0.81;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP2_SP1";;;;;;;-1.06;;-3.82;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM439694;MM439694;C=CC(C#N)=CCCCC;LHKCDJRSAFBKJB-UHFFFAOYSA-N;135.21;2.81;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1_C5";;;;;;;3.68;;0.46;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM439695;MM439695;C=CC1OC1CC(=C)CN;IVLHVTVNALBHGI-UHFFFAOYSA-N;139.2;0.84;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_SNa";;;;;;;0.87;;-4.14;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM439696;MM439696;CC1C(CO)=CCC1CN;GSXBROLQXZJODV-UHFFFAOYSA-N;141.21;0.52;;;;;DOPC;MDCG;27;1;"MARTINI bead: SNd_SC5";;;;;;;1.64;;-2.68;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM439697;MM439697;C#CC(CN)NC1CC1C;WKWLUUYOXJQSHA-UHFFFAOYSA-N;138.21;-0.06;;;;;DOPC;MDCG;27;1;"MARTINI bead: SC5_P3";;;;;;;-0.33;;-3.78;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM439698;MM439698;N#CC(=O)n1ocnc1=O;VRTQMUJMOZBHGC-UHFFFAOYSA-N;139.07;-1;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP2_SP1";;;;;;;-1.06;;-3.82;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM439699;MM439699;CNC1C=CC(=CCN)C1;DRDYNVGHUKZLJL-UHFFFAOYSA-N;138.21;0.42;;;;;DOPC;MDCG;27;1;"MARTINI bead: SNd_SNd";;;;;;;0.87;;-4.7;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM439700;MM439700;C=C(CO)CC1OC1C#N;LKDAYBNAXMWGQD-UHFFFAOYSA-N;139.15;0.22;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda_SP1";;;;;;;0.04;;-2.73;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM439701;MM439701;CNN=COC=C(F)CF;AXPLBTYQIGDMBA-UHFFFAOYSA-N;150.13;0.95;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_C5";;;;;;;0.54;;-1.09;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM439702;MM439702;CC1C(CF)=CCC1CN;HKIMPGGKVYNMBN-UHFFFAOYSA-N;143.21;1.5;;;;;DOPC;MDCG;27;1;"MARTINI bead: SNd_SC4";;;;;;;2.2;;-2.2;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM439703;MM439703;C#CC(=C)n1oncc1=N;BWIVGBRFZFLTNG-UHFFFAOYSA-N;135.13;0.06;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP1_SP1";;;;;;;-0.79;;-3.13;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM439704;MM439704;C#CC(CO)NC1CC1C;HKJJIEOSISSIGI-UHFFFAOYSA-N;139.2;-0.02;;;;;DOPC;MDCG;27;1;"MARTINI bead: SNd_Nda";;;;;;;0.87;;-3.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM439705;MM439705;CNC1C=CC(=CCO)C1;XZRFTMKMGZJLIL-UHFFFAOYSA-N;139.2;0.45;;;;;DOPC;MDCG;27;1;"MARTINI bead: SNd_SNda";;;;;;;0.87;;-4.24;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM439706;MM439706;CNN=COC=C(C)OC;UFSHMVUKPXNPOP-UHFFFAOYSA-N;144.17;0.67;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_C5";;;;;;;0.54;;-1.09;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM439707;MM439707;CNC(=N)CC1OC1C#N;VVORPMQCOIPPLO-UHFFFAOYSA-N;139.16;-0.14;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1_SP1";;;;;;;-0.79;;-7.88;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM439708;MM439708;C=CC(C#N)NN=CCF;QMYPLZRKCZFYCC-UHFFFAOYSA-N;141.15;0.61;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_N0";;;;;;;0.34;;-1.53;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM439709;MM439709;C#CC(=N)n1oncc1=N;MPUSTVJTHZVQBT-UHFFFAOYSA-N;136.11;-0.59;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP2_SP1";;;;;;;-1.06;;-3.82;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM439710;MM439710;C#CC(CC)NC1CC1N;WQKIBBQPHFKDOI-UHFFFAOYSA-N;138.21;0.09;;;;;DOPC;MDCG;27;1;"MARTINI bead: C3_SP3";;;;;;;0.6;;-2.64;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM439711;MM439711;CCC=C1C=CC(OC)C1;UXCFNCAKMZZVGZ-UHFFFAOYSA-N;138.21;2.3;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC2_SNa";;;;;;;2.83;;0.35;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM439712;MM439712;C=CC(C=O)=CCCCF;ZSYKSNBLPPSCHP-UHFFFAOYSA-N;142.17;2.05;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4_Na";;;;;;;2.2;;0.34;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM439713;MM439713;C=C(CC)CC1CN1C=N;LDHUGLHDDXLLKV-UHFFFAOYSA-N;138.21;1.63;;;;;DOPC;MDCG;27;1;"MARTINI bead: C1_SP2";;;;;;;1.8;;-2.04;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM439714;MM439714;CCC1(C=O)C=NN=C1N;VPRHWHAAUQGLBI-UHFFFAOYSA-N;139.16;-0.06;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNa_SNd";;;;;;;0.87;;-1.88;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM439715;MM439715;C#CC(CO)NC1CC1N;VYPJGCONOOOZHC-UHFFFAOYSA-N;140.19;-1.33;;;;;DOPC;MDCG;27;1;"MARTINI bead: SP1_P3";;;;;;;-1.93;;-6.51;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM439716;MM439716;C#CC(=O)n1oncc1=N;JGXBVXFXXKEQOM-UHFFFAOYSA-N;137.1;-0.77;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP1_SP2";;;;;;;-1.06;;-3.82;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM439717;MM439717;COC1C=CC(=CCN)C1;KRALMYBHIKOHHV-UHFFFAOYSA-N;139.2;0.85;;;;;DOPC;MDCG;27;1;"MARTINI bead: SNa_SNd";;;;;;;0.87;;-4.12;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM439718;MM439718;C=CC(C#N)=CCCCF;RQAFJCYMTFXGKO-UHFFFAOYSA-N;139.17;2.37;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4_C5";;;;;;;2.97;;0.45;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM439719;MM439719;C=C(CO)CC1CN1C=N;FVNCYUAGUZHZRM-UHFFFAOYSA-N;140.19;0.22;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nda_SP2";;;;;;;-0.24;;-6.45;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM439720;MM439720;CNc1ccn(N)c(=O)n1;INGXHVOLEORNAO-UHFFFAOYSA-N;140.15;-1;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNda_SP2";;;;;;;-0.24;;-3.31;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM439721;MM439721;C#CC(CF)NC1CC1N;IRRWKNRIOWYXDX-UHFFFAOYSA-N;142.18;-0.35;;;;;DOPC;MDCG;27;1;"MARTINI bead: SP3_Na";;;;;;;-1.1;;-5.97;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM439722;MM439722;C#CC(=C)n1oncc1=O;YTGQJXYGNXSPDZ-UHFFFAOYSA-N;136.11;-0.06;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP2_SP1";;;;;;;-1.06;;-3.82;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM439723;MM439723;CCN=C1C=CC(CC)N1;MPGAYLGRJYVTPE-UHFFFAOYSA-N;138.21;1.34;;;;;DOPC;MDCG;27;1;"MARTINI bead: SNd_SN0";;;;;;;1.17;;-3.96;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM439724;MM439724;CCCCC=C(C=O)C=O;BGOQQPGRZBBDIE-UHFFFAOYSA-N;140.18;1.5;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1_Na";;;;;;;2.91;;0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM439725;MM439725;C=C(CF)CC1CN1C=N;IYJCJUFTVWNMHP-UHFFFAOYSA-N;142.18;1.19;;;;;DOPC;MDCG;27;1;"MARTINI bead: C4_SP2";;;;;;;1.09;;-3.5;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM439726;MM439726;CCC1=CCC(CC)C1N;GLVOQVCJAYDPOL-UHFFFAOYSA-N;139.24;2.08;;;;;DOPC;MDCG;27;1;"MARTINI bead: SC2_SC5";;;;;;;3.6;;0.6;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM439727;MM439727;C#CC(CC)NC1CC1O;RXTYACPWDDOQCN-UHFFFAOYSA-N;139.2;0.12;;;;;DOPC;MDCG;27;1;"MARTINI bead: C3_SP2";;;;;;;1.46;;-1.09;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM439728;MM439728;C#CC(=N)n1oncc1=O;CSYGDJRPODHFKM-UHFFFAOYSA-N;137.1;-0.71;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP2_SP1";;;;;;;-1.06;;-3.82;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM439729;MM439729;CCC=C1C=CC(CC)O1;WFZPXDFLZXMRPX-UHFFFAOYSA-N;138.21;2.65;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC5_SN0";;;;;;;1.94;;0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM439730;MM439730;CCC1CC=C(CN)C1N;VBUNWZNVBLKGLI-UHFFFAOYSA-N;140.23;0.63;;;;;DOPC;MDCG;27;1;"MARTINI bead: SC2_SP1";;;;;;;2;;-1.01;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM439731;MM439731;CCCCC=C(C#N)C#N;RADLRJJXSMRHJX-UHFFFAOYSA-N;134.18;2.15;;;;;DOPC;MDCG;27;0;"MARTINI bead: C3_P2";;;;;;;1.46;;-0.15;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM439732;MM439732;C=C(CC)CC1CN1C=O;SOICYZWOIFZQEK-UHFFFAOYSA-N;139.2;1.18;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1_SP2";;;;;;;1.8;;0.4;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM439733;MM439733;C#CC(CC)OC1CC1C;XCEKWNQINJGERC-UHFFFAOYSA-N;138.21;1.82;;;;;DOPC;MDCG;27;0;"MARTINI bead: C3_SNa";;;;;;;2.57;;0.45;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM439734;MM439734;C#CC(=O)n1oncc1=O;AXYVRTZKFORTJB-UHFFFAOYSA-N;138.08;-0.89;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP2_SP1";;;;;;;-1.06;;-3.82;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM439735;MM439735;CCC=C1C=CC(CN)O1;GYBBGOGCKPLTLU-UHFFFAOYSA-N;139.2;1.19;;;;;DOPC;MDCG;27;1;"MARTINI bead: SC5_SP1";;;;;;;0.81;;-2.5;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM439736;MM439736;C=C(CN)CC1CN1C=O;HNWFWLGGXQLPGZ-UHFFFAOYSA-N;140.19;-0.27;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_SP2";;;;;;;-0.24;;-5.11;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM439737;MM439737;C=CC(C=C)=CCCNC;PMXREZBSMNRPGG-UHFFFAOYSA-N;137.23;1.89;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_C2";;;;;;;2.83;;-0.99;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM439738;MM439738;CCC1=CCC(CN)C1N;RSUQMDNPRHFJDK-UHFFFAOYSA-N;140.23;0.63;;;;;DOPC;MDCG;27;1;"MARTINI bead: SC5_SNd";;;;;;;1.64;;-2.54;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM439739;MM439739;C#CC(CN)OC1CC1C;ZPFQRGBAVRFLPE-UHFFFAOYSA-N;139.2;0.37;;;;;DOPC;MDCG;27;1;"MARTINI bead: SNa_Nd";;;;;;;0.87;;-3.57;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM439740;MM439740;C#CC(=N)n1ocnc1=N;RJAIQPXHZICQND-UHFFFAOYSA-N;136.11;-0.59;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP2_SP1";;;;;;;-1.06;;-3.82;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM439741;MM439741;C=C(CO)CC1CN1C=O;RPEJDOCJLSFPTE-UHFFFAOYSA-N;141.17;-0.23;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda_SP2";;;;;;;-0.24;;-3.31;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM439742;MM439742;C=CC(C=O)=CCCNC;BKFSEGIJPVIMLX-UHFFFAOYSA-N;139.2;0.91;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_Na";;;;;;;0.87;;-4.84;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM439743;MM439743;CCC=C1C=CC(CO)O1;WVFONVBTBVCQPK-UHFFFAOYSA-N;140.18;1.23;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC5_SP1";;;;;;;0.81;;-0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM439744;MM439744;NCC1CC=C(CO)C1N;XSHBBOFRYMLFIG-UHFFFAOYSA-N;142.2;-0.79;;;;;DOPC;MDCG;27;1;"MARTINI bead: SNd_SP1";;;;;;;0.04;;-5.17;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM439745;MM439745;C#CC(CN)OC1CC1N;WKKIMJRCNIBTNS-UHFFFAOYSA-N;140.19;-0.94;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_SP2";;;;;;;-0.24;;-5.22;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM439746;MM439746;C=C(CF)CC1CN1C=O;LIMAJNNATVHFTL-UHFFFAOYSA-N;143.16;0.74;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4_SP2";;;;;;;1.09;;-0.38;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM439747;MM439747;C#CC(=O)n1ocnc1=N;ZRZJXUHZOJYANJ-UHFFFAOYSA-N;137.1;-0.77;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP1_SP2";;;;;;;-1.06;;-3.82;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM439748;MM439748;C=CC(C#N)=CCCNC;FGEMEFXBEXXRRZ-UHFFFAOYSA-N;136.2;1.23;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1_C4";;;;;;;1.37;;-2.98;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM439749;MM439749;CCC1=CCC(CO)C1N;HBPQMKHYOWFZQE-UHFFFAOYSA-N;141.21;0.66;;;;;DOPC;MDCG;27;1;"MARTINI bead: SC5_SNda";;;;;;;1.64;;-2.05;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM439750;MM439750;NCC=C1C=CC(CO)O1;QBNDDQUYQJLHSO-UHFFFAOYSA-N;141.17;-0.22;;;;;DOPC;MDCG;27;1;"MARTINI bead: SNda_SP1";;;;;;;0.04;;-4.89;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM439751;MM439751;C#CC(CC)OC1CC1O;IYGWRBGNINCVQO-UHFFFAOYSA-N;140.18;0.55;;;;;DOPC;MDCG;27;0;"MARTINI bead: C3_SP2";;;;;;;1.46;;-0.15;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM439752;MM439752;CCC(=O)CC1CN1C=N;SYLXSSOBXBGWQT-UHFFFAOYSA-N;140.19;0.65;;;;;DOPC;MDCG;27;1;"MARTINI bead: Na_SP2";;;;;;;-0.24;;-6.33;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM439753;MM439753;C#CC(=C)n1ocnc1=O;FTIMUZVQQJRZLB-UHFFFAOYSA-N;136.11;-0.06;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP1_SP1";;;;;;;-0.79;;-3.13;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM439754;MM439754;C=CC(C=C)=CCCOC;RMPULZZFUGZMGJ-UHFFFAOYSA-N;138.21;2.32;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_C2";;;;;;;2.83;;0.35;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM439755;MM439755;C=CC(=O)C1CC1ON=C;FIOBWFQJTQPDSK-UHFFFAOYSA-N;139.15;0.76;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_SNa";;;;;;;0.87;;-2.22;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM439756;MM439756;CCC=C1C=CC(CF)O1;OWHMIFSITBKONS-UHFFFAOYSA-N;142.17;2.2;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC5_SNa";;;;;;;1.64;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM439757;MM439757;C#CC(CC)OC1CC1F;DCSGXCAZUOFLKP-UHFFFAOYSA-N;142.17;1.53;;;;;DOPC;MDCG;27;0;"MARTINI bead: C3_SP1";;;;;;;1.74;;0.29;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM439758;MM439758;N=CN1CC1CC(=O)CO;WZAVSVGAADCZHH-UHFFFAOYSA-N;142.16;-0.77;;;;;DOPC;MDCG;27;1;"MARTINI bead: P2_SP2";;;;;;;-1.34;;-7.4;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM439759;MM439759;C#CC(=N)n1ocnc1=O;MPBWFBJXZBJLMR-UHFFFAOYSA-N;137.1;-0.71;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP2_SP1";;;;;;;-1.06;;-3.82;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM439760;MM439760;CCC1CC=C(OC)C1C;WMLIKHUKXZBQQW-UHFFFAOYSA-N;140.23;2.58;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC2_SC4";;;;;;;4.16;;0.44;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM439761;MM439761;C=CC(C=O)=CCCOC;ZLIMCFSIOMSRQO-UHFFFAOYSA-N;140.18;1.33;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_Na";;;;;;;0.87;;-2.22;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM439762;MM439762;CCC=C1C=CC(OC)O1;ACMSGMQJHMTNET-UHFFFAOYSA-N;140.18;1.84;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC5_SNa";;;;;;;1.64;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM439763;MM439763;C#CC(CN)OC1CC1F;ZJRZGYAQXWYAME-UHFFFAOYSA-N;143.16;0.07;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_SP1";;;;;;;0.04;;-4.32;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM439764;MM439764;CCOC(C=CNC)=NN;UAYXKIXEJGOLOT-UHFFFAOYSA-N;143.19;0.03;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda_P1";;;;;;;0.04;;-2.73;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM439765;MM439765;C#CC(=O)n1ocnc1=O;QXIBEVMMMCEILA-UHFFFAOYSA-N;138.08;-0.89;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP2_SP1";;;;;;;-1.06;;-3.82;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM439766;MM439766;COC1=CCC(CN)C1C;ZZKVQLLAUMCDNK-UHFFFAOYSA-N;141.21;1.13;;;;;DOPC;MDCG;27;1;"MARTINI bead: SC4_SNd";;;;;;;2.2;;-2.2;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM439767;MM439767;C=CC(C#N)=CCCOC;CSPBACDQOVHZBM-UHFFFAOYSA-N;137.18;1.66;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_C5";;;;;;;1.64;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM439768;MM439768;COC1C=CC(=CCN)O1;NJUNXBKKQZVHNN-UHFFFAOYSA-N;141.17;0.39;;;;;DOPC;MDCG;27;1;"MARTINI bead: SNa_SNda";;;;;;;0.87;;-4.16;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM439769;MM439769;C#CC(OC)OC1CC1C;IJLZUOZTSUKVAM-UHFFFAOYSA-N;140.18;1.02;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_SNa";;;;;;;0.87;;-2.22;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM439770;MM439770;CNC(=N)CC1CN1C=N;AHMNNINQOUXNOF-UHFFFAOYSA-N;140.19;-0.14;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1_SP2";;;;;;;-1.06;;-8.55;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM439771;MM439771;CC=C(C)n1oncc1=N;KNENLMXJWPABDH-UHFFFAOYSA-N;139.16;0.84;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP1_SP1";;;;;;;-0.79;;-3.13;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM439772;MM439772;CCC1CC=C(OC)C1N;GXZOAFKYWCZDTD-UHFFFAOYSA-N;141.21;1.27;;;;;DOPC;MDCG;27;1;"MARTINI bead: SC2_SNda";;;;;;;2.83;;0.07;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM439773;MM439773;COCCC=C(C#N)C#N;FKBGSHILVCHFRC-UHFFFAOYSA-N;136.15;1;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_N0";;;;;;;0.34;;-1.53;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM439774;MM439774;C#CC(OC)OC1CC1O;RMDXPURMOUOXKR-UHFFFAOYSA-N;142.15;-0.26;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_SP2";;;;;;;-0.24;;-3.24;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM439775;MM439775;CCC=C1C=NN(CC)C1;RURRDKOAEKHWLK-UHFFFAOYSA-N;138.21;1.64;;;;;DOPC;MDCG;27;0;"MARTINI bead: SN0_SN0";;;;;;;1.47;;-0.05;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM439776;MM439776;CNC(=N)CC1CN1C=O;BDWYTBHTTHVMKM-UHFFFAOYSA-N;141.17;-0.59;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1_SP2";;;;;;;-1.06;;-8.55;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM439777;MM439777;CC=C(C)n1oncc1=O;UUTQUKBOSFOFML-UHFFFAOYSA-N;140.14;0.72;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNa_SP1";;;;;;;0.04;;-2.54;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM439778;MM439778;CCC1=CCC(NC)C1C;WLUKCKYWFQXOQV-UHFFFAOYSA-N;139.24;1.95;;;;;DOPC;MDCG;27;1;"MARTINI bead: SC1_SNd";;;;;;;2.91;;-0.84;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM439779;MM439779;C=CC(C=C)=CCNCC;MAFBKFLDITWXOY-UHFFFAOYSA-N;137.23;1.89;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_C2";;;;;;;2.83;;-0.43;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM439780;MM439780;C#CC(CN)CC1NC1C;VPYHEJPIZITZBN-UHFFFAOYSA-N;138.21;-0.06;;;;;DOPC;MDCG;27;1;"MARTINI bead: SP1_Nd";;;;;;;0.04;;-5.1;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM439781;MM439781;CCN1CC(=CCN)C=N1;CONXKBGEUJUVIQ-UHFFFAOYSA-N;139.2;0.19;;;;;DOPC;MDCG;27;1;"MARTINI bead: SN0_SP1";;;;;;;0.34;;-3.76;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM439782;MM439782;C=C(CC1CN1C=N)OC;QGOUQOQOSBYNPA-UHFFFAOYSA-N;140.19;0.83;;;;;DOPC;MDCG;27;1;"MARTINI bead: C5_SP2";;;;;;;0.54;;-4.2;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM439783;MM439783;CC=C(C)n1ocnc1=O;XTUZLNIDANLNSI-UHFFFAOYSA-N;140.14;0.72;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNa_SP1";;;;;;;0.04;;-2.54;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM439784;MM439784;C=CC(C=O)=CCNCC;LOAGTZAFGJHEAM-UHFFFAOYSA-N;139.2;0.91;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_Na";;;;;;;0.87;;-4.04;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM439785;MM439785;C#CC(CC1NC1C)NC;OMDZLPQNCUHOLT-UHFFFAOYSA-N;138.21;-0.04;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1_SP1";;;;;;;-0.79;;-4.77;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM439786;MM439786;CNC1CC=C(CN)C1C;JPRRUVKBTXCVEB-UHFFFAOYSA-N;140.23;0.5;;;;;DOPC;MDCG;27;1;"MARTINI bead: SNd_SC4";;;;;;;2.2;;-2.58;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM439787;MM439787;CCN1CC(C=NC)=CN1;YAEPPCXMPZDFFR-UHFFFAOYSA-N;139.2;0.41;;;;;DOPC;MDCG;27;1;"MARTINI bead: SP1_SP2";;;;;;;-1.06;;-7.45;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM439788;MM439788;C=C(CC1CN1C=O)OC;XMSRLCLBCOGGKB-UHFFFAOYSA-N;141.17;0.38;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_SP2";;;;;;;0.54;;-1.09;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM439789;MM439789;CNC1CC=C(CO)C1C;MPEGMRSFYYTOEZ-UHFFFAOYSA-N;141.21;0.53;;;;;DOPC;MDCG;27;1;"MARTINI bead: SNd_SC5";;;;;;;1.64;;-2.71;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM439790;MM439790;CN=C(C)n1ocnc1=O;VXARASTZVKRDEN-UHFFFAOYSA-N;141.13;-0.27;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP2_SP1";;;;;;;-1.06;;-3.82;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM439791;MM439791;C=CC(C#N)=CCNCC;XWRRNMQCDXGBEQ-UHFFFAOYSA-N;136.2;1.23;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_C5";;;;;;;1.64;;-1.35;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM439792;MM439792;C#CC(CC)CC1OC1C;GXKMRAVVPUHVGS-UHFFFAOYSA-N;138.21;1.82;;;;;DOPC;MDCG;27;0;"MARTINI bead: C3_SNa";;;;;;;2.57;;0.45;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM439793;MM439793;C=C(F)C(=NN)OCC;VPMDECMBTFSWAW-UHFFFAOYSA-N;132.14;0.78;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda_C5";;;;;;;1.64;;0.05;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM439794;MM439794;C=NN1CC1CC(=C)CC;MSROCPLHLWWRID-UHFFFAOYSA-N;138.21;1.64;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1_SP2";;;;;;;1.8;;0.4;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM439795;MM439795;CNC1CC=C(CF)C1C;ZLMHOLXMKNAZDO-UHFFFAOYSA-N;143.21;1.51;;;;;DOPC;MDCG;27;1;"MARTINI bead: SNd_SC4";;;;;;;2.2;;-2.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM439796;MM439796;N=c1nn[nH]oc1=O;NMMKXHRRANQQEY-UHFFFAOYSA-N;114.06;-1.76;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP2_SP2";;;;;;;-1.34;;-9.63;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM439797;MM439797;C=CC(C=C)=CCOCC;BVLXGCUTBAMSRG-UHFFFAOYSA-N;138.21;2.32;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_C2";;;;;;;2.83;;0.35;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM439798;MM439798;C#CC(CN)CC1OC1C;SQEXDFPYBOHWRY-UHFFFAOYSA-N;139.2;0.37;;;;;DOPC;MDCG;27;1;"MARTINI bead: SNa_Nd";;;;;;;0.87;;-4.36;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM439799;MM439799;C=NN1CC(=O)C(C)C1;OXRBJROGIMFFCM-UHFFFAOYSA-N;126.16;0.12;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP1_SP2";;;;;;;-1.06;;-3.82;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM439800;MM439800;CCOC(C=COC)=NN;AULQPSZGZFJLII-UHFFFAOYSA-N;144.17;0.46;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda_Na";;;;;;;0.87;;-1.99;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM439801;MM439801;C=CC(C=O)=CCOCC;GGKUGCQEQQWMRN-UHFFFAOYSA-N;140.18;1.33;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_Na";;;;;;;0.87;;-2.22;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM439802;MM439802;CCC1=CCC(NC)C1N;LQEVLLOBQWFIMM-UHFFFAOYSA-N;140.23;0.64;;;;;DOPC;MDCG;27;1;"MARTINI bead: SC5_SNd";;;;;;;1.64;;-2.48;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM439803;MM439803;C=c1ccoc1=C(C)C#N;ATYSTWHDRBSOKF-UHFFFAOYSA-N;133.15;0.38;;;;;DOPC;MDCG;27;0;"MARTINI bead: SN0_SN0";;;;;;;1.47;;-0.05;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM439804;MM439804;C#CC(CO)CC1OC1C;WEKBWRPRPDNHHX-UHFFFAOYSA-N;140.18;0.41;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNa_Nda";;;;;;;0.87;;-1.99;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM439805;MM439805;CCNc1ccn(CC)n1;QGMYYSZHYPPNPF-UHFFFAOYSA-N;139.2;1.33;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNd_SNa";;;;;;;0.87;;-1.88;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM439806;MM439806;C=CC(C#N)=CCOCC;PSHNRWYRLJRRFJ-UHFFFAOYSA-N;137.18;1.66;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_C5";;;;;;;1.64;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM439807;MM439807;C=NN1CC1CC(=C)CF;KPOAPVGRCANUOM-UHFFFAOYSA-N;142.18;1.2;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4_SP2";;;;;;;1.09;;-0.38;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM439808;MM439808;CNC1CC=C(OC)C1C;XTZMQJLRPNMDBD-UHFFFAOYSA-N;141.21;1.14;;;;;DOPC;MDCG;27;1;"MARTINI bead: SNd_SC4";;;;;;;2.2;;-2.3;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM439809;MM439809;C#CC(C)=c1occc1=C;VFOLRSRLDQDVPS-UHFFFAOYSA-N;132.16;0.49;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC5_SN0";;;;;;;1.94;;0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM439810;MM439810;C#CC(CF)CC1OC1C;HZRUGQDHIZPOLF-UHFFFAOYSA-N;142.17;1.38;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNa_Na";;;;;;;0.87;;-2.22;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM439811;MM439811;CCNc1ccn(NC)n1;RFXOIJXVOIUUBU-UHFFFAOYSA-N;140.19;0.49;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNd_SP1";;;;;;;0.04;;-2.63;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM439812;MM439812;CCOCC=C(C=O)C=O;SXWJHLFOJODTIO-UHFFFAOYSA-N;142.15;0.35;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_Na";;;;;;;0.87;;-2.22;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM439813;MM439813;C#CC=CC(=NN)OCC;XIIIHTNJJKJWBN-UHFFFAOYSA-N;138.17;0.48;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda_N0";;;;;;;1.17;;-1.13;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM439814;MM439814;C=CC(C)=c1ccoc1=C;OAVFRASENJMXGN-UHFFFAOYSA-N;134.18;1.05;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC4_SN0";;;;;;;2.5;;0.44;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM439815;MM439815;CNC1CC=C(OC)C1N;ZDEQHWVGCIWAHI-UHFFFAOYSA-N;142.2;-0.16;;;;;DOPC;MDCG;27;1;"MARTINI bead: SNd_SNda";;;;;;;0.87;;-4.22;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM439816;MM439816;NN=c1cc(F)n(N)o1;ALDGAEGPGWXADY-UHFFFAOYSA-N;132.1;-1.29;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNa_SP2";;;;;;;-0.24;;-3.24;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM439817;MM439817;C#CC(CC1OC1C)NC;OEPMVYOISFVBTJ-UHFFFAOYSA-N;139.2;0.39;;;;;DOPC;MDCG;27;1;"MARTINI bead: P2_SNa";;;;;;;-0.24;;-5.01;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM439818;MM439818;C=NN1CC1CC(=N)NC;UFBJTIGVJBWJOD-UHFFFAOYSA-N;140.19;-0.13;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1_SP2";;;;;;;-1.06;;-8.53;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM439819;MM439819;CCOCC=C(C#N)C=O;OROOMVWJWVFSTN-UHFFFAOYSA-N;139.15;0.67;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_Na";;;;;;;0.87;;-2.22;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM439820;MM439820;Cc1cc(=NN)onn1;ZILZWIBGMKTLNE-UHFFFAOYSA-N;126.12;-0.85;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP1_SP2";;;;;;;-1.06;;-3.82;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM439821;MM439821;CCC1=CCC(OC)C1C;CPJPYORVHAEZPD-UHFFFAOYSA-N;140.23;2.38;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC1_SC5";;;;;;;3.68;;0.46;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM439822;MM439822;C=c1occc1=C(C)C#N;CEOORYHJDHJPPW-UHFFFAOYSA-N;133.15;0.38;;;;;DOPC;MDCG;27;0;"MARTINI bead: SN0_SN0";;;;;;;1.47;;-0.05;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM439823;MM439823;C#CC(CC1OC1C)OC;INXUGXCVDXRRJP-UHFFFAOYSA-N;140.18;0.81;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_SNa";;;;;;;0.87;;-2.22;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM439824;MM439824;CCOCC=C(C#N)C#N;GMZMDJNLXLSHTJ-UHFFFAOYSA-N;136.15;1;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_N0";;;;;;;1.17;;-1.18;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM439825;MM439825;C=NN1CC1CC(=N)NN;AOUVPIUDNXKDTO-UHFFFAOYSA-N;141.18;-0.88;;;;;DOPC;MDCG;27;1;"MARTINI bead: P2_SP2";;;;;;;-1.34;;-7.68;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM439826;MM439826;C=CC=C1C=CC(CC)C1;VVGJDRXSCZHVHM-UHFFFAOYSA-N;134.22;3.08;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC2_SC4";;;;;;;4.16;;0.44;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM439827;MM439827;CCC1=NNC(CC)C1C;XEDJQTZDAUXLDN-UHFFFAOYSA-N;140.23;1.77;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNd_SN0";;;;;;;1.17;;-1.04;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM439828;MM439828;C=c1ocnc1=C(C)C#N;UILYTXBDZHEFAB-UHFFFAOYSA-N;134.14;-0.22;;;;;DOPC;MDCG;27;0;"MARTINI bead: SN0_SNa";;;;;;;1.17;;-1.18;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM439829;MM439829;C=NN1CC1CC(=C)OC;HPPNAZVGHNRHKX-UHFFFAOYSA-N;140.19;0.84;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_SP2";;;;;;;0.54;;-1.09;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM439830;MM439830;C#CC(CN)CC1CN1C;CSJJUTUFRLFMAX-UHFFFAOYSA-N;138.21;-0.1;;;;;DOPC;MDCG;27;1;"MARTINI bead: SP1_Nd";;;;;;;0.04;;-5.1;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM439831;MM439831;C=CC(C=O)=CNCCC;FBTSSLQMDCWKEO-UHFFFAOYSA-N;139.2;1.25;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nd_Na";;;;;;;0.87;;-1.88;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM439832;MM439832;CCC1C=CC(=CC=O)C1;KUMCEQRZTBPPOF-UHFFFAOYSA-N;136.19;2.1;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC2_SNa";;;;;;;2.83;;0.35;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM439833;MM439833;CCC1NN=C(CF)C1C;FPOCWZZLBYBQRD-UHFFFAOYSA-N;144.19;1.33;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNd_SNa";;;;;;;0.87;;-1.88;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM439834;MM439834;C#CC(C)=c1ccoc1=C;TVLNEDKTIFVSHQ-UHFFFAOYSA-N;132.16;0.49;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC5_SN0";;;;;;;1.94;;0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM439835;MM439835;C=CC1CN1CC(=C)CF;BARFXMJXBMHDEZ-UHFFFAOYSA-N;141.19;1.38;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_SNd";;;;;;;0.87;;-1.88;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM439836;MM439836;C=CC(C#N)=CNCCC;IDUKQCJATZBCKO-UHFFFAOYSA-N;136.2;1.58;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nd_C5";;;;;;;1.64;;0.02;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM439837;MM439837;C#CC(C=C)CC(C)(C)O;JTCHYODPTABWKZ-UHFFFAOYSA-N;138.21;1.58;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda_C4";;;;;;;2.2;;0.49;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM439838;MM439838;CCC1C=CC(=CC#N)C1;SZYUZYNHXWGQNH-UHFFFAOYSA-N;133.19;2.42;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC2_SC5";;;;;;;3.6;;0.34;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM439839;MM439839;C=C(CC#N)C1NC1C=O;ZFRHGONYRCIDSW-UHFFFAOYSA-N;136.15;;;;;;DOPC;MDCG;27;0;"MARTINI bead: N0_SP2";;;;;;;0.06;;-2.21;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM439840;MM439840;C=NNC(C)=NC(=C)CC;KIDDGRDJLDMEFZ-UHFFFAOYSA-N;139.2;1.53;;;;;DOPC;MDCG;27;0;"MARTINI bead: C3_P1";;;;;;;1.74;;0.31;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM439841;MM439841;C=CC(=C)CC1CC1C=C;UMNLLKWOPZQIKE-UHFFFAOYSA-N;134.22;2.94;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC4_C3";;;;;;;3.9;;0.47;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM439842;MM439842;C#CC(CC1CN1C)NC;IQJPHWPYZNTFDC-UHFFFAOYSA-N;138.21;-0.09;;;;;DOPC;MDCG;27;1;"MARTINI bead: P2_SNd";;;;;;;-0.24;;-4.78;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM439843;MM439843;C=CC(C=O)=CNCCO;IXZDXXKQNGWCHV-UHFFFAOYSA-N;141.17;-0.16;;;;;DOPC;MDCG;27;0;"MARTINI bead: P3_Na";;;;;;;-1.1;;-4.2;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM439844;MM439844;C=CC=C1C=CC(CN)C1;GOZZFMIHKUFQMM-UHFFFAOYSA-N;135.21;1.63;;;;;DOPC;MDCG;27;1;"MARTINI bead: SNd_SC4";;;;;;;2.2;;-2.18;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM439845;MM439845;CCC1OC=C(CN)C1C;AYBFDTIWGBFSFM-UHFFFAOYSA-N;141.21;1.27;;;;;DOPC;MDCG;27;1;"MARTINI bead: SC5_SP1";;;;;;;0.81;;-2.65;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM439846;MM439846;CCOCC1CC1CCN;GNWVCNQKQPZRRD-UHFFFAOYSA-N;143.23;1.01;;;;;DOPC;MDCG;27;1;"MARTINI bead: Na_SNd";;;;;;;0.87;;-4.67;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM439847;MM439847;C=CC1CC1CC(=C)C=O;XVJXWQRIHCJMAK-UHFFFAOYSA-N;136.19;1.95;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC4_Na";;;;;;;2.2;;0.34;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM439848;MM439848;C#CC(CC1CN1C)OC;SMWZATBOKDKVCH-UHFFFAOYSA-N;139.2;0.34;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_SP1";;;;;;;0.04;;-2.54;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM439849;MM439849;NN=c1cc(F)nno1;BCSURPKRJBZOAS-UHFFFAOYSA-N;130.08;-1.02;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP2_SP1";;;;;;;-1.06;;-3.82;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM439850;MM439850;C=CC(C#N)=CNCCF;HDKXHBOMHQWRGC-UHFFFAOYSA-N;140.16;1.14;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_C5";;;;;;;0.54;;-1.09;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM439851;MM439851;CCC1=COC(CN)C1C;NRJBVZPUCBJQBU-UHFFFAOYSA-N;141.21;1.27;;;;;DOPC;MDCG;27;1;"MARTINI bead: SC4_SP1";;;;;;;1.37;;-1.99;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM439852;MM439852;C=NNC=NCCC(C)F;JXXGOANUPOZSRB-UHFFFAOYSA-N;145.18;0.97;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_P1";;;;;;;0.81;;-0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM439853;MM439853;C=CC1CC1CC(=C)C#N;CBKBPAUSCJCXKR-UHFFFAOYSA-N;133.19;2.28;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC4_N0";;;;;;;2.5;;0.44;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM439854;MM439854;C#CC(CN)CN1CC1C;GQMDBTDZCDIIBM-UHFFFAOYSA-N;138.21;-0.1;;;;;DOPC;MDCG;27;1;"MARTINI bead: SNd_Nd";;;;;;;0.87;;-4.25;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM439855;MM439855;C#CC1CN1CC(C)=O;UVZZKUZBEPSQKH-UHFFFAOYSA-N;123.16;-0.11;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_SP1";;;;;;;0.04;;-2.54;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM439856;MM439856;CCC1=COC(CO)C1C;YIRYZTJOLDQEFL-UHFFFAOYSA-N;142.2;1.31;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC4_SNda";;;;;;;2.2;;0.49;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM439857;MM439857;CCCNC=C(C#N)C=O;SKADLLKDKUKERS-UHFFFAOYSA-N;138.17;0.59;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_P2";;;;;;;0.54;;-1.09;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM439858;MM439858;CCOCC1CC1CNC;AGWWNFOGQWGOIG-UHFFFAOYSA-N;143.23;0.88;;;;;DOPC;MDCG;27;1;"MARTINI bead: Na_SNd";;;;;;;0.87;;-5.03;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM439859;MM439859;C=C(C=O)CC1CC1C#N;MMSSUALXYQASIF-UHFFFAOYSA-N;135.17;1.29;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_SN0";;;;;;;1.17;;-1.18;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM439860;MM439860;CCC(C)(O)CCCC#N;GDTUWCTXYLKNOP-UHFFFAOYSA-N;141.21;1.84;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda_N0";;;;;;;1.17;;-1.13;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM439861;MM439861;C=C1C(=N)NOC1=NN;ITXYDKRUBBKHQH-UHFFFAOYSA-N;126.12;-0.67;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP2_SP1";;;;;;;-1.06;;-3.82;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM439862;MM439862;CC1C(CN)=COC1CO;SEWSDGNYKVJXDU-UHFFFAOYSA-N;143.19;-0.14;;;;;DOPC;MDCG;27;1;"MARTINI bead: SNda_SP1";;;;;;;0.04;;-4.89;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM439863;MM439863;CCOCC1CC1OCC;YMDFNOHJUSJJEE-UHFFFAOYSA-N;144.21;1.45;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_SNa";;;;;;;0.87;;-2.22;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM439864;MM439864;CCCNC=C(C#N)C#N;DKTCTGQBCUMGHE-UHFFFAOYSA-N;135.17;0.92;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nd_N0";;;;;;;1.17;;-1.04;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM439865;MM439865;C=C(C#N)CC1CC1C#N;PYSZEGNXBOKRGY-UHFFFAOYSA-N;132.17;1.62;;;;;DOPC;MDCG;27;0;"MARTINI bead: N0_SN0";;;;;;;1.47;;-0.05;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM439866;MM439866;C#CC(C)CC(O)CCC;NEOIJTQSISMAFJ-UHFFFAOYSA-N;140.23;1.81;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_C5";;;;;;;2.41;;0.64;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM439867;MM439867;C=CC=C1C=CC(CF)C1;FZIRXZSSSQJGCN-UHFFFAOYSA-N;138.19;2.64;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC5_SC4";;;;;;;2.97;;0.45;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM439868;MM439868;CCC1OC=C(CN)C1N;GMKRWEJVPGULKH-UHFFFAOYSA-N;142.2;-0.03;;;;;DOPC;MDCG;27;1;"MARTINI bead: SC5_SP3";;;;;;;-0.33;;-3.95;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM439869;MM439869;CCCOC1CC1CCC;YYMBNCYWVYRPRX-UHFFFAOYSA-N;142.24;2.6;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_SC2";;;;;;;2.83;;0.35;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM439870;MM439870;C=CC(=O)CC1CC1C=C;QGDXIEVTVRKDFZ-UHFFFAOYSA-N;136.19;1.95;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC4_Na";;;;;;;2.2;;0.34;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM439871;MM439871;O=CC(C=O)=CNCCO;JOYVBVUQOUJFJL-UHFFFAOYSA-N;143.14;-1.15;;;;;DOPC;MDCG;27;0;"MARTINI bead: P3_Na";;;;;;;-1.1;;-4.2;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM439872;MM439872;O=CC=C1C=CC(CF)C1;LXEBDVDMYBEQJF-UHFFFAOYSA-N;140.16;1.66;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC5_SNa";;;;;;;1.64;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM439873;MM439873;C#CC(CN1CC1C)NC;ULQMBSBYBICKOS-UHFFFAOYSA-N;138.21;-0.09;;;;;DOPC;MDCG;27;1;"MARTINI bead: P2_SNd";;;;;;;-0.24;;-4.55;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM439874;MM439874;CCC1=COC(CN)C1N;HSGQGVVOBJCCMQ-UHFFFAOYSA-N;142.2;-0.03;;;;;DOPC;MDCG;27;1;"MARTINI bead: SP1_SP1";;;;;;;-0.79;;-5.02;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM439875;MM439875;CCCOC1CC1CCO;BPICSSCWAKTZTC-UHFFFAOYSA-N;144.21;1.18;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_SNda";;;;;;;0.87;;-1.99;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM439876;MM439876;N#CC(C=O)=CNCCO;DKZHRRJKZPSZPG-UHFFFAOYSA-N;140.14;-0.83;;;;;DOPC;MDCG;27;0;"MARTINI bead: P3_Na";;;;;;;-1.1;;-4.2;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM439877;MM439877;C=CC1CC1CC(=O)C#N;GJLBTMFSVNYHRZ-UHFFFAOYSA-N;135.17;1.29;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC4_P1";;;;;;;1.37;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM439878;MM439878;N#CC=C1C=CC(CF)C1;QSXDIPPMASVRQX-UHFFFAOYSA-N;137.16;1.98;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC5_SC5";;;;;;;2.41;;0.64;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM439879;MM439879;COC1=COC(CO)C1C;COEQSVJRTZBAAM-UHFFFAOYSA-N;144.17;0.5;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNa_SNda";;;;;;;0.87;;-1.99;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM439880;MM439880;OCCOC1CC1CCO;GRNLXCPMKUUMFB-UHFFFAOYSA-N;146.19;-0.23;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_SNda";;;;;;;-0.24;;-3.31;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM439881;MM439881;C=CC(C=C)CC1CC1C;PAZWTJXAZZCBAG-UHFFFAOYSA-N;136.24;3.02;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC5_C2";;;;;;;3.6;;0.34;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM439882;MM439882;C=CC(=O)CC1CC1C#N;RURQNPWGVRKXQI-UHFFFAOYSA-N;135.17;1.29;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_SN0";;;;;;;1.17;;-1.18;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM439883;MM439883;O=CC(C=O)=CNCCF;QGXVWYUONGAAIX-UHFFFAOYSA-N;145.13;-0.17;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_Na";;;;;;;-0.24;;-3.24;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM439884;MM439884;C=CC=C1C=CC(NC)C1;SRGCDWSKUYJZGJ-UHFFFAOYSA-N;135.21;1.65;;;;;DOPC;MDCG;27;1;"MARTINI bead: SNd_SC4";;;;;;;2.2;;-1.75;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM439885;MM439885;CCC1=NOC(CC)C1C;RTKINGOUODNJOC-UHFFFAOYSA-N;141.21;2.2;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC5_SC5";;;;;;;2.41;;0.64;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM439886;MM439886;CCNC1CC1OCCN;CGYKXAXTHBDUKJ-UHFFFAOYSA-N;144.22;-0.29;;;;;DOPC;MDCG;27;1;"MARTINI bead: SNd_P2";;;;;;;-0.24;;-5.45;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM439887;MM439887;C=CC(C=O)CC1CC1C;IJQXZUFJJWUNLB-UHFFFAOYSA-N;138.21;2.03;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC5_Na";;;;;;;1.64;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM439888;MM439888;N#CC(=O)CC1CC1C#N;KIPBVYFWWMHJJA-UHFFFAOYSA-N;134.14;0.63;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_SN0";;;;;;;0.34;;-1.53;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM439889;MM439889;C=CC(C=C)=COCCC;DWOMJSWDEKGVCO-UHFFFAOYSA-N;138.21;2.67;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_C2";;;;;;;2.83;;0.35;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM439890;MM439890;CNC1C=CC(=CC=O)C1;FKFYVQYHJLQOQH-UHFFFAOYSA-N;137.18;0.66;;;;;DOPC;MDCG;27;1;"MARTINI bead: SNd_SNa";;;;;;;0.87;;-4.11;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM439891;MM439891;NCCC1NC1CCCO;AQMUZJLMYYCCCR-UHFFFAOYSA-N;144.22;-0.55;;;;;DOPC;MDCG;27;1;"MARTINI bead: SP2_Nda";;;;;;;-0.24;;-5.75;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM439892;MM439892;CCC1=NOC(CN)C1C;CQJSZAAKNDQNKS-UHFFFAOYSA-N;142.2;0.75;;;;;DOPC;MDCG;27;1;"MARTINI bead: SC5_SP1";;;;;;;0.81;;-1.97;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM439893;MM439893;C=CC(=N)NC1CC1C#N;DYZCVGRUEWTEJN-UHFFFAOYSA-N;135.17;0.65;;;;;DOPC;MDCG;27;1;"MARTINI bead: P2_SN0";;;;;;;0.06;;-6.36;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM439894;MM439894;C=CC(C=C)=COCCN;POVQUHOZEPWMFJ-UHFFFAOYSA-N;139.2;1.22;;;;;DOPC;MDCG;27;1;"MARTINI bead: P3_C2";;;;;;;0.86;;-2.19;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM439895;MM439895;C=CC(C#N)CC1CC1C;VRJQULOYGWLMQG-UHFFFAOYSA-N;135.21;2.36;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC5_C5";;;;;;;2.41;;0.64;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM439896;MM439896;CNC1C=CC(=CC#N)C1;IGTKGUGESPJVDY-UHFFFAOYSA-N;134.18;0.98;;;;;DOPC;MDCG;27;1;"MARTINI bead: SNd_SC5";;;;;;;1.64;;-2.22;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM439897;MM439897;CNCC1NC1CCCO;UGPFHFCHDHKTRH-UHFFFAOYSA-N;144.22;-0.68;;;;;DOPC;MDCG;27;1;"MARTINI bead: SP2_Nda";;;;;;;-0.24;;-5.41;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM439898;MM439898;C=CC(C=C)=COCCO;WZBKCOJCMMWBEI-UHFFFAOYSA-N;140.18;1.25;;;;;DOPC;MDCG;27;0;"MARTINI bead: P3_C2";;;;;;;0.86;;-0.3;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM439899;MM439899;CCC1ON=C(OC)C1C;YOXSTIRCSBQATL-UHFFFAOYSA-N;143.19;1.39;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC5_SNa";;;;;;;1.64;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM439900;MM439900;CC1CC1CC(C#N)C=O;LROFFNWNVFVTIC-UHFFFAOYSA-N;137.18;1.37;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC5_Na";;;;;;;1.64;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM439901;MM439901;CC1C2CC(=NN)OC12C;NHPIJFMLRAFTRY-UHFFFAOYSA-N;140.19;0.7;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNda_SC5";;;;;;;1.64;;0.05;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM439902;MM439902;C=CC=C1C=CC(OC)C1;JFXNWDMJKBPZJZ-UHFFFAOYSA-N;136.19;2.07;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNa_SC4";;;;;;;2.2;;0.34;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM439903;MM439903;CCOCC1NC1CCN;CZMUYUQYLSUQFV-UHFFFAOYSA-N;144.22;-0.29;;;;;DOPC;MDCG;27;1;"MARTINI bead: Na_SP2";;;;;;;-0.24;;-5.68;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM439904;MM439904;C#CC1C(CC(C)=O)N1C;AKQLDDHBECMICW-UHFFFAOYSA-N;137.18;0.28;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP1_P1";;;;;;;-0.79;;-3.13;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM439905;MM439905;C=CC(C=C)=COCCF;FDJNSYHIKINAJN-UHFFFAOYSA-N;142.17;2.23;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_C2";;;;;;;1.72;;0.27;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM439906;MM439906;CCC1CN=C(CN)N1C;QXWLLQVPAXVBBQ-UHFFFAOYSA-N;141.22;0.07;;;;;DOPC;MDCG;27;1;"MARTINI bead: SN0_SP2";;;;;;;0.06;;-4.02;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM439907;MM439907;CC1CC1CC(C#N)C#N;ZFLRPPSLWAAKSW-UHFFFAOYSA-N;134.18;1.7;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC5_P1";;;;;;;0.81;;-0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM439908;MM439908;COC1C=CC(=CC=O)C1;LRVYYPUMJLBLQZ-UHFFFAOYSA-N;138.17;1.09;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNa_SNa";;;;;;;0.87;;-2.22;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM439909;MM439909;CCOCC1OC1CCN;KLXFCWAQFLUYCS-UHFFFAOYSA-N;145.2;0.14;;;;;DOPC;MDCG;27;1;"MARTINI bead: Na_SP1";;;;;;;0.04;;-5.25;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM439910;MM439910;CC1(C)C2CC(=NN)OC21;QWFUSSBRUHYFAB-UHFFFAOYSA-N;140.19;0.7;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC4_SNda";;;;;;;2.2;;0.49;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM439911;MM439911;C=CC(C=O)=COCCC;FOKKDXOATAOBNP-UHFFFAOYSA-N;140.18;1.68;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_Na";;;;;;;0.87;;-2.22;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM439912;MM439912;CCC1=NCC(CN)N1C;WPBVDGOIKQTFNO-UHFFFAOYSA-N;141.22;0.07;;;;;DOPC;MDCG;27;1;"MARTINI bead: SNd_SP3";;;;;;;-1.1;;-6.73;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM439913;MM439913;C=CC(C=C)CC1CC1N;QEWOGTILEQTVLZ-UHFFFAOYSA-N;137.23;1.71;;;;;DOPC;MDCG;27;1;"MARTINI bead: SNd_C2";;;;;;;2.83;;-0.6;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM439914;MM439914;COC1C=CC(=CC#N)C1;YETPBNVIPDZEPW-UHFFFAOYSA-N;135.17;1.41;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNa_SC5";;;;;;;1.64;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM439915;MM439915;CNCCC1CN1CCO;RRKHSNKPPPQLDJ-UHFFFAOYSA-N;144.22;-0.73;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_SP1";;;;;;;0.04;;-5.38;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM439916;MM439916;N#CC(=O)NC1CC1C=O;ZWBCOMUOAFDCRL-UHFFFAOYSA-N;138.13;-0.79;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNa_P3";;;;;;;-1.1;;-4.2;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM439917;MM439917;C=CC(C#N)=COCCC;QWCRCLISQHGGPX-UHFFFAOYSA-N;137.18;2.01;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_C5";;;;;;;1.64;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM439918;MM439918;CCC1=NCC(CO)N1C;WMDNRQAYBNNCNQ-UHFFFAOYSA-N;142.2;0.1;;;;;DOPC;MDCG;27;1;"MARTINI bead: SNd_SP2";;;;;;;-0.24;;-5.7;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM439919;MM439919;C=C1CC(C)(C)C(C)C1O;MQGJJBFDXDJUBT-UHFFFAOYSA-N;140.23;1.97;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNda_SC2";;;;;;;2.83;;0.57;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM439920;MM439920;C=C1C(C)=NOC1=NN;LKNMCLAKLVCDLL-UHFFFAOYSA-N;125.13;0.22;;;;;DOPC;MDCG;27;0;"MARTINI bead: SN0_SNda";;;;;;;1.17;;-1.13;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM439921;MM439921;CCOCC1CN1CCN;HOVDAUWZCHNFCE-UHFFFAOYSA-N;144.22;-0.33;;;;;DOPC;MDCG;27;1;"MARTINI bead: Na_SP2";;;;;;;-0.24;;-5.2;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM439922;MM439922;N#CC(=O)NC1CC1C#N;JKXAJQVHYWJZTP-UHFFFAOYSA-N;135.13;-0.46;;;;;DOPC;MDCG;27;0;"MARTINI bead: P3_SN0";;;;;;;-0.8;;-2.99;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM439923;MM439923;C=CC(C=O)=COCCO;JAKKNTOXDPVJMS-UHFFFAOYSA-N;142.15;0.26;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_Na";;;;;;;0.04;;-2.54;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM439924;MM439924;CCC1CN=C(NC)N1C;FKNVKQYTDPVVET-UHFFFAOYSA-N;141.22;0.29;;;;;DOPC;MDCG;27;1;"MARTINI bead: SN0_SNd";;;;;;;1.17;;-5.63;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM439925;MM439925;C=C(C)C(O)C1CC1(C)C;TZYRQJJWQKDBEI-UHFFFAOYSA-N;140.23;1.97;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda_SC4";;;;;;;2.2;;0.49;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM439926;MM439926;C=NN=C1C=CC(CO)C1;KLKJVACQONDHDZ-UHFFFAOYSA-N;138.17;0.61;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNda_SC5";;;;;;;1.64;;0.05;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM439927;MM439927;C=CCCC1CC1CCC;IHLPETCSDHSHNB-UHFFFAOYSA-N;138.25;3.39;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC2_C3";;;;;;;4.53;;0.32;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM439928;MM439928;C=CC(=C)OC1CC1C=C;NUNGBLUDMJDFHO-UHFFFAOYSA-N;136.19;2.28;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC4_Na";;;;;;;2.2;;0.34;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM439929;MM439929;C=CC(C#N)=COCCO;CKQCUQXHKJOWKH-UHFFFAOYSA-N;139.15;0.59;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_N0";;;;;;;0.34;;-1.53;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM439930;MM439930;CCC1=CCN(CC)C1C;CNXRHMWIMNGEHS-UHFFFAOYSA-N;139.24;2.05;;;;;DOPC;MDCG;27;1;"MARTINI bead: SNd_SN0";;;;;;;1.17;;-3.58;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM439931;MM439931;N#CC(C=O)CC1CC1O;ZZOHEXRNEBUAMN-UHFFFAOYSA-N;139.15;0.1;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNda_Na";;;;;;;0.87;;-1.99;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM439932;MM439932;C=NN=C1C=CC(NC)C1;ICUXNGLSLRDGRP-UHFFFAOYSA-N;137.19;0.59;;;;;DOPC;MDCG;27;1;"MARTINI bead: SNd_SC5";;;;;;;1.64;;-1.73;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM439933;MM439933;C=NNC=NCCC(F)F;HRDIZCYVDIHFCT-UHFFFAOYSA-N;149.14;0.88;;;;;DOPC;MDCG;27;0;"MARTINI bead: N0_P1";;;;;;;0.34;;-1.53;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM439934;MM439934;C=CC(=C)OC1CC1C#N;DXYLSMCVBPRFBF-UHFFFAOYSA-N;135.17;1.61;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_SN0";;;;;;;1.17;;-1.18;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM439935;MM439935;C=CC(C#N)=COCCF;MNPRZOFQGRCLGW-UHFFFAOYSA-N;141.15;1.57;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_N0";;;;;;;1.17;;-1.18;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM439936;MM439936;CCN1CC=C(CN)C1C;OSISDDWTLCEXME-UHFFFAOYSA-N;140.23;0.6;;;;;DOPC;MDCG;27;1;"MARTINI bead: SNd_SP2";;;;;;;-0.24;;-5.49;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM439937;MM439937;C=CC(C=C)CC1CC1F;HVHJGISMLCWYRQ-UHFFFAOYSA-N;140.2;2.72;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNa_C2";;;;;;;2.83;;0.35;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM439938;MM439938;CNCC1CC1CCC#N;YHQLHVIBWQUYAT-UHFFFAOYSA-N;138.21;1.15;;;;;DOPC;MDCG;27;1;"MARTINI bead: SNd_P1";;;;;;;0.04;;-5.77;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM439939;MM439939;C=C(C=O)OC1CC1C#N;CXJZEOLRXPJNSZ-UHFFFAOYSA-N;137.14;0.63;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_SN0";;;;;;;0.06;;-2.21;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM439940;MM439940;CC=C(F)C(=NN)OC;QXEVGXHIVBWPOO-UHFFFAOYSA-N;132.14;0.78;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_C4";;;;;;;1.37;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM439941;MM439941;CCCOC=C(C=O)C=O;AQETZYVOBSVSFM-UHFFFAOYSA-N;142.15;0.69;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_Na";;;;;;;0.87;;-2.22;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM439942;MM439942;C=CC1=CCC(CC)C1C;USIVOKSSZGAACI-UHFFFAOYSA-N;136.24;3.16;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC2_SC2";;;;;;;4.78;;0.59;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM439943;MM439943;C=CC(C=C)NC1CC1C;NUPZBBPSHGNTGV-UHFFFAOYSA-N;137.23;1.73;;;;;DOPC;MDCG;27;1;"MARTINI bead: SNd_C2";;;;;;;2.83;;0.25;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM439944;MM439944;CCC1C=CC(NC=N)=N1;MWMLXPGIYIOJHE-UHFFFAOYSA-N;137.19;0.93;;;;;DOPC;MDCG;27;1;"MARTINI bead: SC5_SP1";;;;;;;0.81;;-2.07;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM439945;MM439945;C=NNCC1CC1CCC;JEAXSUVJTMBUIZ-UHFFFAOYSA-N;140.23;1.63;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC2_P2";;;;;;;1.72;;0.28;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM439946;MM439946;C=CC(=O)OC1CC1C=C;IBJIZKKTJQSCQO-UHFFFAOYSA-N;138.17;1.29;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC4_Na";;;;;;;2.2;;0.34;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM439947;MM439947;CCC1CC=C(C=O)C1C;ZNVIIRDVOHQYGK-UHFFFAOYSA-N;138.21;2.18;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC2_SC5";;;;;;;3.6;;0.34;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM439948;MM439948;CCCOC=C(C#N)C=O;AHIZFMGHHPKNEX-UHFFFAOYSA-N;139.15;1.02;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_Na";;;;;;;0.87;;-2.22;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM439949;MM439949;C=NNC=NCCC(=C)C;QFWWUANBHBMVGQ-UHFFFAOYSA-N;139.2;1.19;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4_P1";;;;;;;1.37;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM439950;MM439950;N=CNC1=NC(CF)C=C1;BLQPSINGTKAFFA-UHFFFAOYSA-N;141.15;0.49;;;;;DOPC;MDCG;27;1;"MARTINI bead: SNa_SP1";;;;;;;0.04;;-4.07;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM439951;MM439951;CC#CCCC(O)C(C)C;XZVDUMZIMBAAIP-UHFFFAOYSA-N;140.23;1.81;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4_Nda";;;;;;;2.2;;0.49;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM439952;MM439952;C=CC(=O)OC1CC1C#N;RKFZYALSSAXCKK-UHFFFAOYSA-N;137.14;0.63;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_SN0";;;;;;;1.17;;-1.18;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM439953;MM439953;C=CC1=CCC(CN)C1C;ZLHOUXSBOODCBO-UHFFFAOYSA-N;137.23;1.71;;;;;DOPC;MDCG;27;1;"MARTINI bead: SNd_SC2";;;;;;;2.83;;-0.73;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM439954;MM439954;CCCOC=C(C#N)C#N;PHFIXHHMLFZUCX-UHFFFAOYSA-N;136.15;1.34;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_N0";;;;;;;1.17;;-1.18;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM439955;MM439955;C=CCN(C)C(=N)C(C)=O;HYABYNHEXLOTKM-UHFFFAOYSA-N;140.19;0.67;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_N0";;;;;;;0.06;;-2.21;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM439956;MM439956;C=CN(C=O)OC=NN;WHFCUFLLWLUNHB-UHFFFAOYSA-N;129.12;-0.58;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_P2";;;;;;;-1.06;;-3.82;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM439957;MM439957;C=CC(C=C)NC1CC1N;UUEYQUWASINJNK-UHFFFAOYSA-N;138.21;0.42;;;;;DOPC;MDCG;27;1;"MARTINI bead: SP3_C2";;;;;;;0.86;;-2.01;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM439958;MM439958;N#CC(=O)OC1CC1C=O;MLXVERHHSJGQKS-UHFFFAOYSA-N;139.11;-0.36;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNa_P1";;;;;;;0.04;;-2.54;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM439959;MM439959;N=C(N)C(=O)CCF;HQRQULSDJSRDHU-UHFFFAOYSA-N;118.11;-0.15;;;;;DOPC;MDCG;27;0;"MARTINI bead: P3_C5";;;;;;;-0.33;;-2.01;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM439960;MM439960;O=CC(C=O)=COCCO;OCFONHRYNNXREJ-UHFFFAOYSA-N;144.13;-0.72;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_Na";;;;;;;-0.24;;-3.24;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM439961;MM439961;C=NOCC1CC1CCC;SHSGRAHHIRBVJR-UHFFFAOYSA-N;141.21;2.05;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC2_P1";;;;;;;2;;0.3;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM439962;MM439962;C=CC=C1C=CC(CC)O1;CYPVNLDKWPWHLX-UHFFFAOYSA-N;136.19;2.42;;;;;DOPC;MDCG;27;0;"MARTINI bead: SN0_SC5";;;;;;;1.94;;0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM439963;MM439963;CCC(=O)CNN(C)C=O;LMZXUXFQOAACEI-UHFFFAOYSA-N;144.17;-0.44;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_P4";;;;;;;-1.19;;-4.76;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM439964;MM439964;C=C(C=O)CC1NC1C#N;PYKRDEVHPJGBNS-UHFFFAOYSA-N;136.15;;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_SP2";;;;;;;-0.24;;-3.24;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM439965;MM439965;N=CNc1cnon1;ALWHJPLXOVJBNR-UHFFFAOYSA-N;112.09;0.09;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP2_SP1";;;;;;;-1.06;;-3.82;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM439966;MM439966;C=CC(C=C)=COCOC;IAFLJYKNRQNWKB-UHFFFAOYSA-N;140.18;1.86;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_C2";;;;;;;1.72;;0.27;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM439967;MM439967;C=CC=C1C=CC(CN)O1;XDEBIXLCCVKHTD-UHFFFAOYSA-N;137.18;0.97;;;;;DOPC;MDCG;27;1;"MARTINI bead: SP1_SC5";;;;;;;0.81;;-2.5;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM439968;MM439968;C#CC1CCC(O)(CC)C1;PYVUQOSRVXHEHK-UHFFFAOYSA-N;138.21;1.56;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC5_SC4";;;;;;;2.97;;0.45;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM439969;MM439969;CC1(C#N)CN=C(C=O)N1;XWAGVISWAYWNDF-UHFFFAOYSA-N;137.14;-0.53;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP1_SP2";;;;;;;-1.06;;-3.82;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM439970;MM439970;C=C(C#N)CC1NC1C#N;ZGWDHQPQSORITF-UHFFFAOYSA-N;133.15;0.32;;;;;DOPC;MDCG;27;0;"MARTINI bead: N0_SP2";;;;;;;0.06;;-2.21;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM439971;MM439971;C=CC1=CCC(CF)C1C;MBVDABRAVRDRMA-UHFFFAOYSA-N;140.2;2.72;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC5_SC2";;;;;;;3.6;;0.34;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM439972;MM439972;C=CCOC1CC1CCN;XPVHJVGDXPIRAY-UHFFFAOYSA-N;141.21;0.93;;;;;DOPC;MDCG;27;1;"MARTINI bead: SNd_Na";;;;;;;0.87;;-4.66;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM439973;MM439973;C=CC(C#N)=COCOC;OTITZKXZIVRDGF-UHFFFAOYSA-N;139.15;1.2;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_C5";;;;;;;0.54;;-1.09;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM439974;MM439974;C=CC=C1C=CC(CO)O1;ARLGEWHPJRSZTH-UHFFFAOYSA-N;138.17;1;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP1_SC5";;;;;;;0.81;;-0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM439975;MM439975;CC=C(F)CC(CF)=NN;DKKWXMBPSDARDF-UHFFFAOYSA-N;148.16;1.53;;;;;DOPC;MDCG;27;0;"MARTINI bead: C3_P1";;;;;;;1.74;;0.29;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM439976;MM439976;CC1(F)C2CC(=NN)OC21;PKPSVIREMUMLNM-UHFFFAOYSA-N;144.15;0.41;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC5_SNda";;;;;;;1.64;;0.05;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM439977;MM439977;CC1C(C#N)=CCC1CF;UVVJSFAOJLTCCR-UHFFFAOYSA-N;139.17;2.06;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC5_SC5";;;;;;;2.41;;0.64;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM439978;MM439978;C=CCOC1CC1CCO;NRJVMDQCMUBBNR-UHFFFAOYSA-N;142.2;0.96;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNda_Na";;;;;;;0.87;;-1.99;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM439979;MM439979;C=CC(C=C)=NNCCC;KEJKPBAZAKWYJE-UHFFFAOYSA-N;138.21;1.71;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nd_N0";;;;;;;1.17;;-1.04;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM439980;MM439980;C=CC=C1C=CC(OC)O1;OREXBNXRLNEKBD-UHFFFAOYSA-N;138.17;1.62;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNa_SC5";;;;;;;1.64;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM439981;MM439981;C=CC(C=O)NC1CC1F;IYRLKFWWUVAWMU-UHFFFAOYSA-N;143.16;0.44;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP1_Na";;;;;;;0.04;;-2.54;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM439982;MM439982;CCC(CF)C(=NN)OC;VDNGHIUSVGKKFW-UHFFFAOYSA-N;148.18;0.9;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4_P1";;;;;;;1.37;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM439983;MM439983;C=CC1=CCC(CC)C1N;ZSZRFJMZZXRUFO-UHFFFAOYSA-N;137.23;1.86;;;;;DOPC;MDCG;27;1;"MARTINI bead: SC2_SNd";;;;;;;2.83;;-0.46;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM439984;MM439984;O=CCOC1CC1CCO;DPUIWFPFCMZDOH-UHFFFAOYSA-N;144.17;-0.03;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNda_P1";;;;;;;0.04;;-2.73;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM439985;MM439985;CNN=COC=C(F)C#N;PJEPKNWVLUMLHY-UHFFFAOYSA-N;143.12;0.5;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_C5";;;;;;;0.54;;-1.09;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM439986;MM439986;NN=CON(C=O)C=O;COUYVGCSKZRRCE-UHFFFAOYSA-N;131.09;-1.57;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_P2";;;;;;;-1.06;;-3.82;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM439987;MM439987;C=CC(C#N)NC1CC1F;PIJMPBBFRUDYDB-UHFFFAOYSA-N;140.16;0.76;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNa_P1";;;;;;;0.04;;-2.54;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM439988;MM439988;C=CC(=C)CC1OC1C#N;PNFQCXXVYBONER-UHFFFAOYSA-N;135.17;1.41;;;;;DOPC;MDCG;27;0;"MARTINI bead: C3_SP1";;;;;;;1.74;;0.29;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM439989;MM439989;C=CC1=CCC(CN)C1N;HBZWNONENHAUEH-UHFFFAOYSA-N;138.21;0.4;;;;;DOPC;MDCG;27;1;"MARTINI bead: SNd_SNd";;;;;;;0.87;;-4.74;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM439990;MM439990;N#CCOC1CC1CCO;XNYMWKKGEBRLQW-UHFFFAOYSA-N;141.17;0.3;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNda_P1";;;;;;;0.04;;-2.73;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM439991;MM439991;C#CC(F)=COC=NNC;AAWBWFYNWGWEJV-UHFFFAOYSA-N;142.13;0.61;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_C5";;;;;;;0.54;;-1.09;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM439992;MM439992;C=CC=C1C=NN(CC)C1;BUTBWDFHSYLWGJ-UHFFFAOYSA-N;136.2;1.42;;;;;DOPC;MDCG;27;0;"MARTINI bead: SN0_SN0";;;;;;;1.47;;-0.05;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM439993;MM439993;N#CC(=O)CC1OC1C#N;CDZJNDIJTMWXEZ-UHFFFAOYSA-N;136.11;-0.24;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_SP1";;;;;;;-0.79;;-3.13;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM439994;MM439994;C=CC(C=C)OC1CC1C;HGBGPUXTYFWLSD-UHFFFAOYSA-N;138.21;2.15;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNa_C2";;;;;;;2.83;;0.35;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM439995;MM439995;C=CC1=CCC(CN)C1O;VAVVSEDLOGXWLN-UHFFFAOYSA-N;139.2;0.44;;;;;DOPC;MDCG;27;1;"MARTINI bead: SNd_SNda";;;;;;;0.87;;-4.33;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM439996;MM439996;CNCC1CC1OCC#N;DBUOJLHQTXDAAX-UHFFFAOYSA-N;140.19;0.13;;;;;DOPC;MDCG;27;1;"MARTINI bead: SNd_P1";;;;;;;0.04;;-5.54;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM439997;MM439997;O=CC(C=O)=NNCCO;YSKVEKGXMAJTLE-UHFFFAOYSA-N;144.13;-1.68;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_P2";;;;;;;-1.34;;-4.31;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM439998;MM439998;C=CC(=NN)ON=CC;ZPBKZLOLJOKAIW-UHFFFAOYSA-N;127.15;0.47;;;;;DOPC;MDCG;27;0;"MARTINI bead: N0_Nda";;;;;;;1.17;;-1.13;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM439999;MM439999;C=C(C=O)CC1CN1C=N;QRPIKZYFYBXZGT-UHFFFAOYSA-N;138.17;0.42;;;;;DOPC;MDCG;27;1;"MARTINI bead: Na_SP2";;;;;;;-0.24;;-6.39;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM440000;MM440000;C=CC(C=O)OC1CC1C;UHZXRIHAVZAPEW-UHFFFAOYSA-N;140.18;1.16;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNa_Na";;;;;;;0.87;;-2.22;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM440001;MM440001;C=CC1=CCC(NC)C1C;CXOHFJHDRADOAS-UHFFFAOYSA-N;137.23;1.73;;;;;DOPC;MDCG;27;1;"MARTINI bead: SNd_SC2";;;;;;;2.83;;-1.08;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM440002;MM440002;C=C(CF)C(C#N)=NNC;FEYZXVKJZLYAFH-UHFFFAOYSA-N;141.15;0.61;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nd_Na";;;;;;;0.87;;-1.88;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM440003;MM440003;N=CNCC1NC1CCN;JIAHXMGZKITVAX-UHFFFAOYSA-N;142.21;-1.13;;;;;DOPC;MDCG;27;1;"MARTINI bead: SP2_P3";;;;;;;-2.2;;-8.97;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM440004;MM440004;CCn1ccc(NC=N)n1;XTZVMRXQTCLVDK-UHFFFAOYSA-N;138.17;0.92;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNa_SP2";;;;;;;-0.24;;-3.24;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM440005;MM440005;C=C(C#N)CC1CN1C=N;NDNOVZYSWBWOMH-UHFFFAOYSA-N;135.17;0.75;;;;;DOPC;MDCG;27;1;"MARTINI bead: N0_SP2";;;;;;;0.06;;-5.35;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM440006;MM440006;C=CC(C#N)OC1CC1C;RKKCXSYCWQOMDV-UHFFFAOYSA-N;137.18;1.49;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNa_N0";;;;;;;1.17;;-1.18;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM440007;MM440007;CNC1CC=C(C=O)C1C;OSBJPXGVKVYMLB-UHFFFAOYSA-N;139.2;0.74;;;;;DOPC;MDCG;27;1;"MARTINI bead: SNd_SC5";;;;;;;1.64;;-2.74;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM440008;MM440008;CCCC1OC1CCC#N;ASGHWEYNURULJT-UHFFFAOYSA-N;139.2;1.86;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNa_P1";;;;;;;0.04;;-2.54;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM440009;MM440009;C=CC1CC(=C)C(=C)C1O;YBPHAJIZQJPFJE-UHFFFAOYSA-N;136.19;1.67;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC2_SNda";;;;;;;2.83;;0.57;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM440010;MM440010;C=NN=CC(C#N)=CN;AKEZYWBXMOYZCY-UHFFFAOYSA-N;122.13;0.04;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_N0";;;;;;;0.34;;-1.53;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM440011;MM440011;C=CC(=O)CC1CN1C=N;NPRBCFFUDXEDBC-UHFFFAOYSA-N;138.17;0.42;;;;;DOPC;MDCG;27;1;"MARTINI bead: Na_SP2";;;;;;;-0.24;;-6.32;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM440012;MM440012;C=CC(C=O)=NOCCC;XETQYGZHNDCEMA-UHFFFAOYSA-N;141.17;1.15;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_Na";;;;;;;0.87;;-2.22;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM440013;MM440013;CC1CC1OC(C=O)C=O;ODGMFVRDSKNRJX-UHFFFAOYSA-N;142.15;0.18;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNa_Na";;;;;;;0.87;;-2.22;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM440014;MM440014;CCCN1CC1CCC#N;WOBFOQMWIOYENI-UHFFFAOYSA-N;138.21;1.38;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNd_P1";;;;;;;0.04;;-2.63;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM440015;MM440015;CNn1ccc(NC=N)n1;BMEPHJMQILPBQQ-UHFFFAOYSA-N;139.16;0.08;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP1_SP2";;;;;;;-1.06;;-3.82;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM440016;MM440016;CNC1CC=C(C#N)C1C;VFTVXYVPRQTLCF-UHFFFAOYSA-N;136.2;1.06;;;;;DOPC;MDCG;27;1;"MARTINI bead: SNd_SC5";;;;;;;1.64;;-2.04;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM440017;MM440017;N=CN1CC1CC(=O)C=O;DGWCVHFWJHCUGC-UHFFFAOYSA-N;140.14;-0.56;;;;;DOPC;MDCG;27;1;"MARTINI bead: SP2_P1";;;;;;;-1.06;;-6.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM440018;MM440018;CC(F)=C(C)C1NC1C=O;UBOCSSKPZAIKOQ-UHFFFAOYSA-N;143.16;0.79;;;;;DOPC;MDCG;27;0;"MARTINI bead: C3_SP2";;;;;;;1.46;;-0.15;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM440019;MM440019;C=CC1=CCC(NC)C1N;KTQHRTGRBXMVDO-UHFFFAOYSA-N;138.21;0.42;;;;;DOPC;MDCG;27;1;"MARTINI bead: SNd_SNd";;;;;;;0.87;;-4.72;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM440020;MM440020;CC1CC1OC(C#N)C=O;CIPKOMMCRSKORD-UHFFFAOYSA-N;139.15;0.5;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNa_Na";;;;;;;0.87;;-2.22;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM440021;MM440021;C=CCCC1CN1CCN;FNDAZIOEWIZJKC-UHFFFAOYSA-N;140.23;0.6;;;;;DOPC;MDCG;27;1;"MARTINI bead: SP2_C3";;;;;;;1.46;;-1.99;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM440022;MM440022;C=CC12C=CC(=O)C1N2;ZJUJEDCFTCIAES-UHFFFAOYSA-N;121.14;0.02;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP1_SNa";;;;;;;0.04;;-2.54;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM440023;MM440023;N#CC(=O)CC1CN1C=N;RETMCXRIIGIPQV-UHFFFAOYSA-N;137.14;-0.24;;;;;DOPC;MDCG;27;1;"MARTINI bead: SP2_P1";;;;;;;-1.06;;-6.88;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM440024;MM440024;O=CC(C=O)=NOCCO;BKANBSQSCHSLLP-UHFFFAOYSA-N;145.11;-1.25;;;;;DOPC;MDCG;27;0;"MARTINI bead: P3_Na";;;;;;;-1.1;;-4.2;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM440025;MM440025;C=CC1=CCC(OC)C1C;IXONDLUOWOKMIN-UHFFFAOYSA-N;138.21;2.15;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC5_SC2";;;;;;;3.6;;0.34;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM440026;MM440026;CNCC1CN1CCC=O;ULMRFFLOOUSEHX-UHFFFAOYSA-N;142.2;-0.52;;;;;DOPC;MDCG;27;1;"MARTINI bead: SP2_P3";;;;;;;-2.2;;-7.56;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM440027;MM440027;CC1CC1OC(C#N)C#N;HUEKNMSZWZMFPX-UHFFFAOYSA-N;136.15;0.83;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNa_P2";;;;;;;-0.24;;-3.24;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM440028;MM440028;COn1ccc(NC=N)n1;VNWPYPHZEYEBFE-UHFFFAOYSA-N;140.15;-0.04;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNa_SP2";;;;;;;-0.24;;-3.24;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM440029;MM440029;C=CC(=C)CC1CN1N=C;VOUPEPKGWKUKER-UHFFFAOYSA-N;136.2;1.42;;;;;DOPC;MDCG;27;0;"MARTINI bead: C3_SP2";;;;;;;1.46;;-0.15;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM440030;MM440030;CNCC1CN1CCC#N;DCNLRMGJZZDKHV-UHFFFAOYSA-N;139.2;-0.2;;;;;DOPC;MDCG;27;1;"MARTINI bead: SP2_P2";;;;;;;-1.34;;-6.81;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM440031;MM440031;COC1CC=C(C=O)C1C;XMBNMNWTUMORNG-UHFFFAOYSA-N;140.18;1.17;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC5_SC5";;;;;;;2.41;;0.64;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM440032;MM440032;N#CC(C=O)=NOCCO;XGECPMCSQVIAFP-UHFFFAOYSA-N;142.11;-0.93;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_P1";;;;;;;-0.79;;-3.13;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM440033;MM440033;C=CC(C=C)OC1CC1N;DZUMXLZLABNRKM-UHFFFAOYSA-N;139.2;0.84;;;;;DOPC;MDCG;27;1;"MARTINI bead: SP2_C2";;;;;;;1.72;;-1.14;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM440034;MM440034;CCn1ncc(NC=N)n1;JHDNSQWXYDVWBZ-UHFFFAOYSA-N;139.16;0.32;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNa_SP2";;;;;;;-0.24;;-3.24;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM440035;MM440035;C=NN1CC1CC(=C)C#N;PQHOQPYKWZQCBN-UHFFFAOYSA-N;135.17;0.76;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP2_N0";;;;;;;0.06;;-2.21;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM440036;MM440036;CCC1NC=C(C#N)C1C;PHWHQRACIBAKKL-UHFFFAOYSA-N;136.2;1.41;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNd_SN0";;;;;;;1.17;;-1.04;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM440037;MM440037;C#CCCC1CC1CCC;WPUYXBHIZJDJDV-UHFFFAOYSA-N;136.24;2.84;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC2_C5";;;;;;;3.6;;0.34;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM440038;MM440038;C=CC(C#N)=NOCOC;YVZFDDIBOOTRIG-UHFFFAOYSA-N;140.14;0.67;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_N0";;;;;;;0.34;;-1.53;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM440039;MM440039;C=CC(C=C)OC1CC1O;AGMGSEZGFRYAJO-UHFFFAOYSA-N;140.18;0.88;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP2_C2";;;;;;;1.72;;0.27;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM440040;MM440040;CCCCCC(=NN)OC;GVPKIDYSASFFAC-UHFFFAOYSA-N;144.22;1.49;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1_Nda";;;;;;;2.91;;0.57;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM440041;MM440041;C#CC=C1C=CC(CC)C1;LUFGCQXYMBKMFH-UHFFFAOYSA-N;132.21;2.53;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC2_SC4";;;;;;;4.16;;0.44;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM440042;MM440042;N#CC12CC1N=CN2;JRFMNMDMMHIMTB-UHFFFAOYSA-N;107.12;-0.35;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP2_SP2";;;;;;;-1.34;;-4.31;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM440043;MM440043;COCON=C(C=O)C=O;XPSDTUCEGVMEMY-UHFFFAOYSA-N;145.11;-0.64;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_Na";;;;;;;-0.24;;-3.24;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM440044;MM440044;C=CC(C=O)OC1CC1O;APYQRCYSUANXBX-UHFFFAOYSA-N;142.15;-0.11;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP2_Na";;;;;;;-0.24;;-3.24;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM440045;MM440045;CC=C1CCC(O)(CC)C1;LNZKZQJCRHPNAW-UHFFFAOYSA-N;140.23;2.26;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC5_SC1";;;;;;;3.68;;0.46;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM440046;MM440046;C#CC=C1C=CC(CN)C1;RQJAKMGUWIIYPE-UHFFFAOYSA-N;133.19;1.08;;;;;DOPC;MDCG;27;1;"MARTINI bead: SNd_SC4";;;;;;;2.2;;-2.18;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM440047;MM440047;C=C(C#N)CN1CC1C#N;ZNZCGHDHOVMSLH-UHFFFAOYSA-N;133.15;0.27;;;;;DOPC;MDCG;27;0;"MARTINI bead: N0_SP2";;;;;;;0.06;;-2.21;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM440048;MM440048;COCON=C(C#N)C=O;JJCVIZQUFFOPFP-UHFFFAOYSA-N;142.11;-0.31;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_Na";;;;;;;-0.24;;-3.24;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM440049;MM440049;CC(=O)CCNCC#N;ZVUULNCSSFBNOS-UHFFFAOYSA-N;126.16;0.08;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_P2";;;;;;;-1.06;;-3.82;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM440050;MM440050;C=CC(C=C)OC1CC1F;PJWCIEXTILFQRN-UHFFFAOYSA-N;142.17;1.85;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP1_C2";;;;;;;2;;0.29;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM440051;MM440051;C#CCNC1CC1CCC;JZYAAQQGMLWRML-UHFFFAOYSA-N;137.23;1.4;;;;;DOPC;MDCG;27;1;"MARTINI bead: SC2_P2";;;;;;;1.72;;-0.96;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM440052;MM440052;NN=c1nconc1F;JUIVAYRLXHRQOC-UHFFFAOYSA-N;130.08;-1.02;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP3_SP2";;;;;;;-2.2;;-5.19;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM440053;MM440053;C=CC(=N)NN1CC1C=C;MZVYWTDATLCOHN-UHFFFAOYSA-N;137.19;0.52;;;;;DOPC;MDCG;27;1;"MARTINI bead: SP1_P1";;;;;;;-0.79;;-6.48;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM440054;MM440054;C=CCCC=C(C=C)C=C;FBNMREHJLGJSPH-UHFFFAOYSA-N;134.22;3.25;;;;;DOPC;MDCG;27;0;"MARTINI bead: C3_C2";;;;;;;4.53;;0.32;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM440055;MM440055;CC(=O)C(=N)NC=CF;ABDBMEKEOPKNGB-UHFFFAOYSA-N;130.12;0.58;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_Nda";;;;;;;-0.24;;-3.31;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM440056;MM440056;C=CC(C#N)OC1CC1F;AWPBSGBMGIDDOO-UHFFFAOYSA-N;141.15;1.19;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP1_N0";;;;;;;0.34;;-1.53;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM440057;MM440057;C#CCOC1CC1CCO;CXIGWIWJDOGKJA-UHFFFAOYSA-N;140.18;0.41;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNda_Na";;;;;;;0.87;;-1.99;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM440058;MM440058;C#CC=C1C=CC(CF)C1;GBVRCAQLHAKTFG-UHFFFAOYSA-N;136.17;2.09;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC5_SC4";;;;;;;2.97;;0.45;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM440059;MM440059;C#CC(=C)CC1CC1C=C;XREZDUCRRABXIP-UHFFFAOYSA-N;132.21;2.39;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC4_C5";;;;;;;2.97;;0.45;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM440060;MM440060;CCC1OC=C(C=O)C1C;JMJLAGBQBCMQSP-UHFFFAOYSA-N;140.18;1.51;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC5_SNa";;;;;;;1.64;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM440061;MM440061;C=CC(C=C)=CCCC=O;NIYAPRCEUWDDCE-UHFFFAOYSA-N;136.19;2.26;;;;;DOPC;MDCG;27;0;"MARTINI bead: C2_Na";;;;;;;2.83;;0.35;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM440062;MM440062;C=CN(C=N)CC1CC1C;XNHKFCOECBJPPV-UHFFFAOYSA-N;138.21;1.69;;;;;DOPC;MDCG;27;1;"MARTINI bead: SC5_P1";;;;;;;0.81;;-4.33;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM440063;MM440063;C#CCOC1CC1CNC;XMIQLAWPERBBOF-UHFFFAOYSA-N;139.2;0.24;;;;;DOPC;MDCG;27;1;"MARTINI bead: SNd_Na";;;;;;;0.87;;-4.8;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM440064;MM440064;C#CC(=C)CC1CC1C#N;IAODUZOIDHTGSO-UHFFFAOYSA-N;131.18;1.73;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_SN0";;;;;;;1.94;;0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM440065;MM440065;C#CC=C1C=CC(NC)C1;BHWLYDHSFFNLIF-UHFFFAOYSA-N;133.19;1.09;;;;;DOPC;MDCG;27;1;"MARTINI bead: SNd_SC4";;;;;;;2.2;;-1.75;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM440066;MM440066;CCC1OC=C(C#N)C1C;CUBXAMGHVPQRPS-UHFFFAOYSA-N;137.18;1.84;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC5_SN0";;;;;;;1.94;;0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM440067;MM440067;C=CC(C=C)=CCCC#N;WWLLAQMAORYYPB-UHFFFAOYSA-N;133.19;2.59;;;;;DOPC;MDCG;27;0;"MARTINI bead: C2_P1";;;;;;;2;;0.29;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM440068;MM440068;C=CN(C=O)CC1CC1C;JUTIPGUZBBWJRY-UHFFFAOYSA-N;139.2;1.24;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC5_P2";;;;;;;0.54;;-1.09;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM440069;MM440069;C#CC(=O)CC1CC1C=C;UMTLMLDGEBFWFK-UHFFFAOYSA-N;134.18;1.4;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC4_Na";;;;;;;2.2;;0.34;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM440070;MM440070;C#CCCC1OC1CCC;VDOGXTNMVFHDBT-UHFFFAOYSA-N;138.21;1.97;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNa_C5";;;;;;;1.64;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM440071;MM440071;C#CC=C1C=CC(OC)C1;FGQGXOCQWKJRJX-UHFFFAOYSA-N;134.18;1.52;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNa_SC4";;;;;;;2.2;;0.34;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM440072;MM440072;C=CCCC=C(C=C)C=O;JZYYNMZCRWJHAZ-UHFFFAOYSA-N;136.19;2.26;;;;;DOPC;MDCG;27;0;"MARTINI bead: C3_Na";;;;;;;2.57;;0.45;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM440073;MM440073;C=CC1=NOC(CC)C1C;LAFVWESHMPCSNN-UHFFFAOYSA-N;139.2;1.97;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC5_SC5";;;;;;;2.41;;0.64;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM440074;MM440074;CC1CC1CN(C=N)C=N;WTRNECKDSWLJTA-UHFFFAOYSA-N;139.2;1.16;;;;;DOPC;MDCG;27;1;"MARTINI bead: SC5_P2";;;;;;;0.54;;-3.07;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM440075;MM440075;C#CC(=O)CC1CC1C#N;AFNRIXVPYWYSCA-UHFFFAOYSA-N;133.15;0.74;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_SN0";;;;;;;1.17;;-1.18;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM440076;MM440076;C#CCCC1CN1CCN;BCYNRXURJCPFJU-UHFFFAOYSA-N;138.21;0.04;;;;;DOPC;MDCG;27;1;"MARTINI bead: P4_SP1";;;;;;;-2.01;;-7.04;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM440077;MM440077;C#CC=C1C=CC(CC)O1;CAXRTDOBXKIYSJ-UHFFFAOYSA-N;134.18;1.87;;;;;DOPC;MDCG;27;0;"MARTINI bead: SN0_SN0";;;;;;;1.47;;-0.05;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM440078;MM440078;CCC1ON=C(C=O)C1C;BJCCDTBFBXQHJD-UHFFFAOYSA-N;141.17;0.99;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC5_SNa";;;;;;;1.64;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM440079;MM440079;C=CCCC=C(C#N)C=C;RSJXPOIZJJUREZ-UHFFFAOYSA-N;133.19;2.59;;;;;DOPC;MDCG;27;0;"MARTINI bead: C3_C5";;;;;;;3.34;;0.48;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM440080;MM440080;CC1CC1CN(C=N)C=O;NCUWIGRKJFNUKZ-UHFFFAOYSA-N;140.19;0.71;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC5_P3";;;;;;;-0.33;;-2.01;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM440081;MM440081;C#CC(=N)NC1CC1C=O;RCSDIFSHXOXPPQ-UHFFFAOYSA-N;136.15;-0.23;;;;;DOPC;MDCG;27;1;"MARTINI bead: P2_SNa";;;;;;;-0.24;;-5.82;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM440082;MM440082;C=CCC1CC1CCCC;ZZIYOUPLUOBGEI-UHFFFAOYSA-N;138.25;3.39;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1_SC4";;;;;;;4.24;;0.42;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM440083;MM440083;C#CC=C1C=CC(CN)O1;HYBRIMHFZFNFEY-UHFFFAOYSA-N;135.17;0.42;;;;;DOPC;MDCG;27;1;"MARTINI bead: SP1_SN0";;;;;;;0.34;;-3.55;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM440084;MM440084;C=CC1=NCC(CC)N1C;FEDPNBCGWWIKPB-UHFFFAOYSA-N;138.21;1.29;;;;;DOPC;MDCG;27;1;"MARTINI bead: SN0_SNd";;;;;;;1.17;;-3.89;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM440085;MM440085;C=CC(C=O)=CCCC=O;VOCHPVRFLWSKHT-UHFFFAOYSA-N;138.17;1.28;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_Na";;;;;;;0.87;;-2.22;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM440086;MM440086;CC1CC1CN(C=O)C=O;IUXVSAOEKYAVPQ-UHFFFAOYSA-N;141.17;0.26;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC5_P2";;;;;;;0.54;;-1.09;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM440087;MM440087;C#CC(=N)NC1CC1C#N;MGYDMNPNVXMXLR-UHFFFAOYSA-N;133.15;0.1;;;;;DOPC;MDCG;27;1;"MARTINI bead: P2_SN0";;;;;;;0.06;;-4.62;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM440088;MM440088;C#CC=C1C=CC(CO)O1;BDJLIMCARZFBKZ-UHFFFAOYSA-N;136.15;0.45;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP1_SN0";;;;;;;0.34;;-1.53;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM440089;MM440089;CCCCC1CC1CC=O;HIDYEJYVUDAJLQ-UHFFFAOYSA-N;140.23;2.4;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1_SNa";;;;;;;2.91;;0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM440090;MM440090;C=CC1=NCC(CN)N1C;OCODHRVOCQUCJV-UHFFFAOYSA-N;139.2;-0.16;;;;;DOPC;MDCG;27;1;"MARTINI bead: SP3_SNd";;;;;;;-1.1;;-6.43;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM440091;MM440091;C=CC(C#N)=CCCC=O;XJLKUISCRHRKIR-UHFFFAOYSA-N;135.17;1.6;;;;;DOPC;MDCG;27;0;"MARTINI bead: N0_Na";;;;;;;1.17;;-1.18;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM440092;MM440092;C=CN(C=N)CC1CC1N;RBMDSRCPCFPCLA-UHFFFAOYSA-N;139.2;0.39;;;;;DOPC;MDCG;27;1;"MARTINI bead: SP1_P1";;;;;;;-0.79;;-6.96;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM440093;MM440093;C#CC(=C)OC1CC1C=C;KMSXJAXTTZVNEB-UHFFFAOYSA-N;134.18;1.72;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC4_Na";;;;;;;2.2;;0.34;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM440094;MM440094;C#CC=C1C=CC(OC)O1;XQYKWNHHXDDCEB-UHFFFAOYSA-N;136.15;1.06;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNa_SN0";;;;;;;1.17;;-1.18;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM440095;MM440095;CCC=NNC(=N)CF;JXDWLJLMBAZOJI-UHFFFAOYSA-N;131.15;0.92;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nd_Na";;;;;;;0.87;;-1.88;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM440096;MM440096;CCCCC1CC1CC#N;UPQAHLQMUORPDX-UHFFFAOYSA-N;137.23;2.73;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1_SC5";;;;;;;3.68;;0.46;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM440097;MM440097;C=CC(C#N)=CCCC#N;WHUPNYSPCIPZOQ-UHFFFAOYSA-N;132.17;1.93;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_P1";;;;;;;0.81;;-0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM440098;MM440098;C=CN(C=O)CC1CC1N;OUCQVHXQSZZJRZ-UHFFFAOYSA-N;140.19;-0.06;;;;;DOPC;MDCG;27;1;"MARTINI bead: SP1_P2";;;;;;;-1.06;;-6.02;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM440099;MM440099;C#CC(=C)OC1CC1C#N;KDNHQZAAUCHRLG-UHFFFAOYSA-N;133.15;1.06;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_SN0";;;;;;;1.17;;-1.18;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM440100;MM440100;C#CC=C1C=NN(CC)C1;QCYOYYGDYLSBCZ-UHFFFAOYSA-N;134.18;0.87;;;;;DOPC;MDCG;27;0;"MARTINI bead: SN0_SP1";;;;;;;0.34;;-1.53;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM440101;MM440101;C=CC1=CCN(CC)C1C;APNDVTDVHGWHAI-UHFFFAOYSA-N;137.23;1.82;;;;;DOPC;MDCG;27;1;"MARTINI bead: SNd_SP1";;;;;;;0.04;;-5.09;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM440102;MM440102;N#CCC1CC1CCCO;UKESHBDRJPNKIN-UHFFFAOYSA-N;139.2;1.31;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda_SC5";;;;;;;1.64;;0.05;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM440103;MM440103;N#CC(C=O)=CCCC=O;LNNFLASUONOXPL-UHFFFAOYSA-N;137.14;0.61;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_Na";;;;;;;0.87;;-2.22;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM440104;MM440104;N=CN(C=N)CC1CC1N;WKRHFKALWLWUOV-UHFFFAOYSA-N;140.19;-0.15;;;;;DOPC;MDCG;27;1;"MARTINI bead: SP1_P2";;;;;;;-1.06;;-5.89;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM440105;MM440105;C#CC(=O)OC1CC1C#N;OWWZOJJYRNDSRU-UHFFFAOYSA-N;135.12;0.07;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_SN0";;;;;;;0.34;;-1.53;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM440106;MM440106;C=CC1C=CC(=CCC)C1;YKHRZBWVKIUWLM-UHFFFAOYSA-N;134.22;3.08;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC2_SC4";;;;;;;4.16;;0.44;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM440107;MM440107;C=CCC1CC1COCC;HVBOLWUOUHUKDU-UHFFFAOYSA-N;140.23;2.24;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_SC4";;;;;;;2.2;;0.34;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM440108;MM440108;C#CC1=CCC(CC)C1C;YBDIGOANHLALQW-UHFFFAOYSA-N;134.22;2.61;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC2_SC4";;;;;;;4.16;;0.44;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM440109;MM440109;C=CC(C=C)=CCNC=N;YAYRYAQBVXCHIE-UHFFFAOYSA-N;136.2;1.48;;;;;DOPC;MDCG;27;1;"MARTINI bead: C2_P3";;;;;;;0.86;;-3.96;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM440110;MM440110;N=CN(C=O)CC1CC1N;TXVLXDIMINQBKH-UHFFFAOYSA-N;141.17;-0.6;;;;;DOPC;MDCG;27;1;"MARTINI bead: SP1_P3";;;;;;;-1.93;;-6.89;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM440111;MM440111;C#CC(=C)CC1NC1C#N;MQVYGBWGSIUSHP-UHFFFAOYSA-N;132.17;0.43;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_SP2";;;;;;;0.54;;-1.09;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM440112;MM440112;CCCCC1CC1NC=N;YGYHNZFUBOSECI-UHFFFAOYSA-N;140.23;1.76;;;;;DOPC;MDCG;27;1;"MARTINI bead: C1_SP1";;;;;;;2.08;;-2.5;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM440113;MM440113;C=CC1C=CC(=CCN)C1;NPRDGTMPMUJXKL-UHFFFAOYSA-N;135.21;1.63;;;;;DOPC;MDCG;27;1;"MARTINI bead: SNd_SC4";;;;;;;2.2;;-1.66;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM440114;MM440114;C#CC1=CCC(CN)C1C;RGJKZEGUVPCYEC-UHFFFAOYSA-N;135.21;1.16;;;;;DOPC;MDCG;27;1;"MARTINI bead: SNd_SC4";;;;;;;2.2;;-2.2;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM440115;MM440115;C#CC(OC)OC=NNC;MUNCKMGCIYDFJA-UHFFFAOYSA-N;142.16;-0.23;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_Na";;;;;;;-0.24;;-3.24;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM440116;MM440116;CCCCOC(CC)=NN;ROPLUTWHKKVUPL-UHFFFAOYSA-N;144.22;1.49;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1_P1";;;;;;;2.08;;0.48;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM440117;MM440117;NC1CC1CN(C=O)C=O;CNTGKXHGQCLFGJ-UHFFFAOYSA-N;142.16;-1.05;;;;;DOPC;MDCG;27;1;"MARTINI bead: SP1_P2";;;;;;;-1.06;;-6.02;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM440118;MM440118;C=CCC1CC1NCCN;XVBIMNOXDMKMJI-UHFFFAOYSA-N;140.23;0.5;;;;;DOPC;MDCG;27;1;"MARTINI bead: P3_SC4";;;;;;;0.23;;-3.56;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM440119;MM440119;C=CC1C=CC(=CCO)C1;DFMAXCXTMISBBZ-UHFFFAOYSA-N;136.19;1.67;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNda_SC4";;;;;;;2.2;;0.49;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM440120;MM440120;NN1CC(F)=CCC1=O;UCELVGWHMWEBQT-UHFFFAOYSA-N;130.12;-0.05;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNa_SP1";;;;;;;0.04;;-2.54;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM440121;MM440121;C=CC(C#N)=CCNC=N;STQKTAVUNLNPPW-UHFFFAOYSA-N;135.17;0.82;;;;;DOPC;MDCG;27;1;"MARTINI bead: C4_P3";;;;;;;0.23;;-4.88;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM440122;MM440122;C=CN(C=N)CC1CC1O;OTILEGKWCDMTDQ-UHFFFAOYSA-N;140.19;0.42;;;;;DOPC;MDCG;27;1;"MARTINI bead: SP1_P1";;;;;;;-0.79;;-6.94;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM440123;MM440123;C#CC(=C)CC1CN1C=N;QUSMGPGMJHYVIV-UHFFFAOYSA-N;134.18;0.86;;;;;DOPC;MDCG;27;1;"MARTINI bead: C5_SP2";;;;;;;0.54;;-4.23;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM440124;MM440124;CCC=C1C=CC(C=O)C1;SZTQDGPWWDHLEX-UHFFFAOYSA-N;136.19;2.1;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC2_SNa";;;;;;;2.83;;0.35;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM440125;MM440125;C=CCC1CC1OCCO;IJKDXYWZPOGYCP-UHFFFAOYSA-N;142.2;0.96;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_SC4";;;;;;;1.09;;-0.38;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM440126;MM440126;C#CC1=CCC(CF)C1C;LBAAFEAPVJSBCG-UHFFFAOYSA-N;138.19;2.17;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC5_SC4";;;;;;;2.97;;0.45;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM440127;MM440127;C=CC(C#N)=CCNC=O;BPCPHYKZSYAOOC-UHFFFAOYSA-N;136.15;0.37;;;;;DOPC;MDCG;27;0;"MARTINI bead: N0_P1";;;;;;;0.34;;-1.53;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM440128;MM440128;C=CN(C=O)CC1CC1O;FAGSGZWAHNLPOC-UHFFFAOYSA-N;141.17;-0.03;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP1_P2";;;;;;;-1.06;;-3.82;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM440129;MM440129;C#CC(=O)CC1CN1C=N;ZVPRSFOQOXFJEV-UHFFFAOYSA-N;136.15;-0.13;;;;;DOPC;MDCG;27;1;"MARTINI bead: SP2_Na";;;;;;;-0.24;;-6.3;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM440130;MM440130;O=CCC1CC1OCCO;KCCRVKSKLHWONY-UHFFFAOYSA-N;144.17;-0.03;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_SNa";;;;;;;-0.24;;-3.24;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM440131;MM440131;CCC=C1C=CC(C#N)C1;XRHHXSASBAVTEJ-UHFFFAOYSA-N;133.19;2.42;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC2_SN0";;;;;;;3.13;;0.3;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM440132;MM440132;C#CC1=CCC(CN)C1N;OBSJIKHYPNTCCY-UHFFFAOYSA-N;136.2;-0.15;;;;;DOPC;MDCG;27;1;"MARTINI bead: SNd_SNd";;;;;;;0.87;;-4.64;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM440133;MM440133;C=CC(C=C)=CCNN=C;RQCZVTDJKDZSTB-UHFFFAOYSA-N;136.2;1.49;;;;;DOPC;MDCG;27;0;"MARTINI bead: C2_P2";;;;;;;1.72;;0.28;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM440134;MM440134;N=CN(C=N)CC1CC1O;SGMAFMNHCGHCAQ-UHFFFAOYSA-N;141.17;-0.12;;;;;DOPC;MDCG;27;1;"MARTINI bead: SP1_P2";;;;;;;-1.06;;-5.76;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM440135;MM440135;C#CC(=C)CC1CN1N=C;QQQDKEPZDCCBMM-UHFFFAOYSA-N;134.18;0.87;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP2_C5";;;;;;;0.54;;-1.09;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM440136;MM440136;N#CCC1CC1OCCO;XLMXRVYZALWKIY-UHFFFAOYSA-N;141.17;0.3;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_SC5";;;;;;;0.54;;-1.09;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM440137;MM440137;N#CC1C=CC(=CCO)C1;FTEIYNHMAJUBMR-UHFFFAOYSA-N;135.17;1;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNda_SN0";;;;;;;1.17;;-1.13;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM440138;MM440138;C#CC1=CCC(CN)C1O;FRELLPMDNORBKA-UHFFFAOYSA-N;137.18;-0.11;;;;;DOPC;MDCG;27;1;"MARTINI bead: SNd_SNda";;;;;;;0.87;;-4.33;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM440139;MM440139;CCC(=NN)OCCCF;SRUDHMOEZKGOSE-UHFFFAOYSA-N;148.18;1.04;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_C4";;;;;;;1.37;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM440140;MM440140;CC=C(CC)OC=NNC;MCOXQWVKMBGKBR-UHFFFAOYSA-N;142.2;1.48;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1_P2";;;;;;;1.8;;0.4;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM440141;MM440141;COC(N=CN(C)N)=NN;UBGQZEYCCHOJBG-UHFFFAOYSA-N;145.17;-1.3;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda_P3";;;;;;;-1.1;;-3.97;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM440142;MM440142;C=CCC1NC1CCCN;JUQOFSMJXRKSIW-UHFFFAOYSA-N;140.23;0.64;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_SNd";;;;;;;0.87;;-4.92;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM440143;MM440143;C#CC1=CCC(NC)C1C;DXXRXCAJBJNTRF-UHFFFAOYSA-N;135.21;1.17;;;;;DOPC;MDCG;27;1;"MARTINI bead: SNd_SC4";;;;;;;2.2;;-2.45;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM440144;MM440144;C=CC1C=CC(=CCC)O1;FWJYJZOXWHXXIY-UHFFFAOYSA-N;136.19;2.42;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC5_SN0";;;;;;;1.94;;0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM440145;MM440145;C#CC(=C)CN1CC1C#N;WGBRVGLMSWRWFC-UHFFFAOYSA-N;132.17;0.38;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_SP2";;;;;;;0.54;;-1.09;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM440146;MM440146;O=CN(C=O)CC1CC1O;CLZQCEMATWDYRV-UHFFFAOYSA-N;143.14;-1.02;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP1_P2";;;;;;;-1.06;;-3.82;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM440147;MM440147;C=COCC=C(C=C)C=C;GODPZJJISYXVFY-UHFFFAOYSA-N;136.19;2.44;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_C2";;;;;;;2.83;;0.35;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM440148;MM440148;CCCCC1NC1CC#N;XXGUWZZTTJHISH-UHFFFAOYSA-N;138.21;1.43;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1_SP2";;;;;;;1.8;;0.41;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM440149;MM440149;C#CC1=CCC(NC)C1N;LIGQUBLRXUMBGV-UHFFFAOYSA-N;136.2;-0.14;;;;;DOPC;MDCG;27;1;"MARTINI bead: SNd_SNd";;;;;;;0.87;;-4.57;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM440150;MM440150;CCC=C1C=CC(C=O)O1;LQXJKNGZLGLICO-UHFFFAOYSA-N;138.17;1.43;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC5_SP1";;;;;;;0.81;;-0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM440151;MM440151;C=CN(C=N)CC1CC1F;LZFHQIONGVVCRO-UHFFFAOYSA-N;142.18;1.4;;;;;DOPC;MDCG;27;1;"MARTINI bead: SNa_P1";;;;;;;0.04;;-6.32;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM440152;MM440152;C#CC(=N)NN1CC1C=C;NXLBDIXPEREJDE-UHFFFAOYSA-N;135.17;-0.03;;;;;DOPC;MDCG;27;1;"MARTINI bead: SP1_P1";;;;;;;-0.79;;-4.67;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM440153;MM440153;C=CC(C=C)=CCOC=O;ZVMAIPVAEBICPS-UHFFFAOYSA-N;138.17;1.46;;;;;DOPC;MDCG;27;0;"MARTINI bead: C2_P1";;;;;;;2;;0.29;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM440154;MM440154;CCC=C1C=CC(C#N)O1;HJPLJTUUTIXWCH-UHFFFAOYSA-N;135.17;1.76;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC5_SN0";;;;;;;1.94;;0.55;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM440155;MM440155;N#CCC1NC1CCCF;HRWIDHXAOHOUPO-UHFFFAOYSA-N;142.18;0.99;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4_SP2";;;;;;;1.09;;-0.37;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM440156;MM440156;C#CC1=CCC(OC)C1C;HJFOQOVDJUXXAU-UHFFFAOYSA-N;136.19;1.6;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC5_SC4";;;;;;;2.97;;0.45;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM440157;MM440157;C=CN(C=O)CC1CC1F;WINWFMMONQYKTO-UHFFFAOYSA-N;143.16;0.95;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNa_P2";;;;;;;-0.24;;-3.24;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM440158;MM440158;C#CC1CC1CC(=C)CC;BYUXFGLOQFPYRB-UHFFFAOYSA-N;134.22;2.61;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1_SC5";;;;;;;3.68;;0.46;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM440159;MM440159;C=COCC=C(C#N)C=C;BUXGTXDUNJYLEV-UHFFFAOYSA-N;135.17;1.78;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_C5";;;;;;;1.64;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM440160;MM440160;CCOCC1NC1CC#N;WDWKUZWFRDRCMN-UHFFFAOYSA-N;140.19;0.28;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_SP2";;;;;;;-0.24;;-3.24;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM440161;MM440161;CCC=C1C=CN(C=N)C1;FQIAMCWUBJZWFG-UHFFFAOYSA-N;136.2;1.76;;;;;DOPC;MDCG;27;1;"MARTINI bead: SN0_SP1";;;;;;;0.34;;-4.39;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM440162;MM440162;C#CC1=NNC(CC)C1C;QTUFJDKMWRDBMP-UHFFFAOYSA-N;136.2;0.99;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNd_SP1";;;;;;;0.04;;-2.63;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM440163;MM440163;C=CC(C#N)=CCOC=O;BYMINTGUBDAGSJ-UHFFFAOYSA-N;137.14;0.8;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_P1";;;;;;;0.81;;-0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM440164;MM440164;N=CN(C=N)CC1CC1F;AOVFBLCJCHDAIA-UHFFFAOYSA-N;143.17;0.86;;;;;DOPC;MDCG;27;1;"MARTINI bead: SNa_P2";;;;;;;-0.24;;-5.17;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM440165;MM440165;C#CC1CC1CC(=C)CN;MWFSUUDALXMWCQ-UHFFFAOYSA-N;135.21;1.16;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_SC5";;;;;;;1.64;;-2.15;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM440166;MM440166;C=CCC1OC1CCCN;KDOVDGZVRJDLBX-UHFFFAOYSA-N;141.21;1.07;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_SNa";;;;;;;0.87;;-4.67;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM440167;MM440167;C#CC1=COC(CC)C1C;VGDYHTSSWZFVIW-UHFFFAOYSA-N;136.19;1.95;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC5_SN0";;;;;;;1.94;;0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM440168;MM440168;N=CN1C=CC(=CCN)C1;ZONLRVAQPHPFFY-UHFFFAOYSA-N;137.19;0.31;;;;;DOPC;MDCG;27;1;"MARTINI bead: SP1_SP1";;;;;;;-0.79;;-6.04;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM440169;MM440169;N=CN(C=O)CC1CC1F;DFBIJYIJEMXYKL-UHFFFAOYSA-N;144.15;0.41;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNa_P3";;;;;;;-1.1;;-4.2;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM440170;MM440170;C=COCC=C(C#N)C#N;NODWFKDCPHXOQW-UHFFFAOYSA-N;134.14;1.12;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_N0";;;;;;;1.17;;-1.18;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM440171;MM440171;C#CC1CC1CC(=C)CO;MVPOOIVIMNAPOX-UHFFFAOYSA-N;136.19;1.19;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda_SC5";;;;;;;1.64;;0.05;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM440172;MM440172;CCCCC1OC1CC#N;HZEOEDJKGDBUMI-UHFFFAOYSA-N;139.2;1.86;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1_SNa";;;;;;;2.91;;0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM440173;MM440173;N=CN1C=CC(=CCO)C1;FSPFXQMYOFFGOZ-UHFFFAOYSA-N;138.17;0.34;;;;;DOPC;MDCG;27;1;"MARTINI bead: SP1_SP1";;;;;;;-0.79;;-5.99;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM440174;MM440174;C#CC1=NOC(CC)C1C;WIVUAIBTGHDZOR-UHFFFAOYSA-N;137.18;1.42;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC5_SN0";;;;;;;1.94;;0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM440175;MM440175;C=NN(C=N)CC1CC1C;JOQHIJIXUMTOJC-UHFFFAOYSA-N;139.2;1.17;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC5_P2";;;;;;;0.54;;-1.09;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM440176;MM440176;N#CC(C=O)=CCOC=O;VXKCQWVRBVAFOK-UHFFFAOYSA-N;139.11;-0.19;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_Na";;;;;;;0.04;;-2.54;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM440177;MM440177;C#CC1CC1CC(=C)CF;NDGBLDPKVGTJNR-UHFFFAOYSA-N;138.19;2.17;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4_SC5";;;;;;;2.97;;0.45;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM440178;MM440178;C#CC1=CCN(CC)C1C;GKVOSVATWQFDHV-UHFFFAOYSA-N;135.21;1.27;;;;;DOPC;MDCG;27;1;"MARTINI bead: SNd_SP1";;;;;;;0.04;;-4.35;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM440179;MM440179;C=CCC1OC1CCNC;JQNSDXQGVVTTIC-UHFFFAOYSA-N;141.21;0.94;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_SNa";;;;;;;0.87;;-4.77;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM440180;MM440180;CCC=C1C=CN(C=O)C1;NMYWTPIIXIUSHO-UHFFFAOYSA-N;137.18;1.31;;;;;DOPC;MDCG;27;0;"MARTINI bead: SN0_SP1";;;;;;;0.34;;-1.53;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM440181;MM440181;C=NN(C=O)CC1CC1C;KHFZPXJYCLRHSL-UHFFFAOYSA-N;140.19;0.72;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC5_P2";;;;;;;0.54;;-1.09;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM440182;MM440182;N#CC(C#N)=CCOC=O;SHVJDZWDBHVPFT-UHFFFAOYSA-N;136.11;0.13;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_N0";;;;;;;0.34;;-1.53;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM440183;MM440183;C#CC1CC1CC(=O)CC;FWKMUKGVYQHXLP-UHFFFAOYSA-N;136.19;1.62;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_SC5";;;;;;;1.64;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM440184;MM440184;C=CC1CC=C(CC)C1C;QYRIWSUBDLZYTD-UHFFFAOYSA-N;136.24;3.16;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC1_SC3";;;;;;;4.61;;0.31;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM440185;MM440185;CNCCC1OC1CC#N;STNXAJWUKHGLJW-UHFFFAOYSA-N;140.19;0.28;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_SNa";;;;;;;0.87;;-4.77;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM440186;MM440186;NCC=C1C=CN(C=O)C1;DQSBRTVVVPURDT-UHFFFAOYSA-N;138.17;-0.14;;;;;DOPC;MDCG;27;1;"MARTINI bead: SP1_SP1";;;;;;;-0.79;;-5.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM440187;MM440187;C=NN(C=N)CC1CC1N;OKIBWFPRSFXDSW-UHFFFAOYSA-N;140.19;-0.14;;;;;DOPC;MDCG;27;1;"MARTINI bead: SP1_P2";;;;;;;-1.06;;-5.53;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM440188;MM440188;C=CC(C=C)=CCON=C;RHRRIUIJIPJAJH-UHFFFAOYSA-N;137.18;1.92;;;;;DOPC;MDCG;27;0;"MARTINI bead: C2_P1";;;;;;;2;;0.3;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM440189;MM440189;C#CC1CC1CC(=O)CO;JSGWGQXKGIQZMW-UHFFFAOYSA-N;138.17;0.21;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_SC5";;;;;;;0.54;;-1.09;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM440190;MM440190;C=CC1CC=C(CN)C1C;JAQFASDDXQORJJ-UHFFFAOYSA-N;137.23;1.71;;;;;DOPC;MDCG;27;1;"MARTINI bead: SC3_SC4";;;;;;;3.9;;0.7;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM440191;MM440191;C=NN(C=O)CC1CC1N;NUHKEGFNUZVCHX-UHFFFAOYSA-N;141.17;-0.59;;;;;DOPC;MDCG;27;1;"MARTINI bead: SP1_P2";;;;;;;-1.06;;-6.02;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM440192;MM440192;O=CN1C=CC(=CCO)C1;BNGMRNZJGKJUQW-UHFFFAOYSA-N;139.15;-0.11;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP1_SP1";;;;;;;-0.79;;-3.13;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM440193;MM440193;COCCC1OC1CC#N;BRDJYBHFZHDYDR-UHFFFAOYSA-N;141.17;0.7;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_SNa";;;;;;;0.87;;-2.22;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM440194;MM440194;C#CC1CC1CC(=N)NC;FJZWHOBTCLUYNX-UHFFFAOYSA-N;136.2;0.84;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1_SC5";;;;;;;0.81;;-5.71;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM440195;MM440195;C=CC(C#N)=CCON=C;MMOMHDBIVVRJMD-UHFFFAOYSA-N;136.15;1.25;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_P1";;;;;;;0.81;;-0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM440196;MM440196;C=CC1C=CC(=NN)C1;JSXGSKAOBMTBOT-UHFFFAOYSA-N;122.17;1.06;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNd_SC4";;;;;;;2.2;;0.32;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM440197;MM440197;CC#CC(=NN)ON=CC;RRAXOAGCRAIYBR-UHFFFAOYSA-N;139.16;0.3;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda_N0";;;;;;;1.17;;-1.13;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM440198;MM440198;COC=C1C=CN(C=O)C1;XEXRSWQZBOZTKN-UHFFFAOYSA-N;139.15;0.5;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNa_SP1";;;;;;;0.04;;-2.54;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM440199;MM440199;C=CCC1OC1COCC;PZFBBHPSNXUYIR-UHFFFAOYSA-N;142.2;1.37;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_SNa";;;;;;;0.87;;-2.22;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM440200;MM440200;C#CC1CC1CC(=N)NN;SFDWCDXRDMMXMC-UHFFFAOYSA-N;137.19;0.09;;;;;DOPC;MDCG;27;1;"MARTINI bead: P2_SC5";;;;;;;0.54;;-4.79;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM440201;MM440201;C=NOCC=C(C#N)C#N;CZECWMAADHRQAP-UHFFFAOYSA-N;135.13;0.59;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_N0";;;;;;;0.34;;-1.53;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM440202;MM440202;C=CC1CC=C(CF)C1C;YWIWZHSOOKAHBM-UHFFFAOYSA-N;140.2;2.72;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC3_SC4";;;;;;;3.9;;0.47;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM440203;MM440203;CCC=C1C=NN(C=N)C1;LOMANBCAOWHHFF-UHFFFAOYSA-N;137.19;1.23;;;;;DOPC;MDCG;27;0;"MARTINI bead: SN0_SP2";;;;;;;0.06;;-2.21;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM440204;MM440204;C=NOC(C#CCC)=NN;PPZGKTQEIIHGHW-UHFFFAOYSA-N;139.16;0.3;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_P1";;;;;;;0.81;;-0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM440205;MM440205;C=CCC1CN1CCCN;VEWDZAPMXPPEKR-UHFFFAOYSA-N;140.23;0.6;;;;;DOPC;MDCG;27;1;"MARTINI bead: P3_SN0";;;;;;;-0.8;;-5.41;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM440206;MM440206;C#CC1CC1CC(=N)NO;QOXVFPGBLSRZSI-UHFFFAOYSA-N;138.17;0.6;;;;;DOPC;MDCG;27;1;"MARTINI bead: P2_SC5";;;;;;;0.54;;-3.61;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM440207;MM440207;CCC1=CCC(C=O)C1C;MNCVMKNGUZXJMI-UHFFFAOYSA-N;138.21;2.18;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC1_SNa";;;;;;;2.91;;0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM440208;MM440208;C=CCNC=C(C#N)C=C;HGFFXXUBOUGWLC-UHFFFAOYSA-N;134.18;1.36;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_C5";;;;;;;0.81;;-0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM440209;MM440209;C=NN(C=N)CC1CC1F;KNNYYWCKXRRUPO-UHFFFAOYSA-N;143.17;0.87;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNa_P2";;;;;;;-0.24;;-3.24;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM440210;MM440210;N=CN1CC(=CCN)C=N1;QXZYFBLFOGIIER-UHFFFAOYSA-N;138.17;-0.22;;;;;DOPC;MDCG;27;1;"MARTINI bead: SP1_SP2";;;;;;;-1.06;;-5.74;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM440211;MM440211;C#CC1CC1CC(=O)NC;SRPIJBLUYKMPLG-UHFFFAOYSA-N;137.18;0.39;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_SC5";;;;;;;0.54;;-1.09;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM440212;MM440212;CCN(C=O)NC(=N)C#N;GNRNHMGYFMAABR-UHFFFAOYSA-N;140.15;-0.53;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_P1";;;;;;;-1.06;;-3.82;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM440213;MM440213;CCC1=CCC(C#N)C1C;CRLCBPGXNLWJMU-UHFFFAOYSA-N;135.21;2.5;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC1_SN0";;;;;;;3.21;;0.46;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM440214;MM440214;N#CC(C=O)=CNCC=O;OPUQMLZWBGYVMH-UHFFFAOYSA-N;138.13;-0.62;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_Na";;;;;;;-0.24;;-3.24;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM440215;MM440215;C=NN(C=O)CC1CC1F;GJJXGYUSIUNVGT-UHFFFAOYSA-N;144.15;0.42;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNa_P2";;;;;;;-0.24;;-3.24;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM440216;MM440216;CCC=C1C=NN(C=O)C1;LHQUFXNFZFBTCC-UHFFFAOYSA-N;138.17;0.78;;;;;DOPC;MDCG;27;0;"MARTINI bead: SN0_SP2";;;;;;;0.06;;-2.21;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM440217;MM440217;C=CCCC1CC1CC=C;MHHXJUHVRQUIAV-UHFFFAOYSA-N;136.24;3.16;;;;;DOPC;MDCG;27;0;"MARTINI bead: C3_SC4";;;;;;;3.9;;0.47;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM440218;MM440218;C=CCCCC(=NN)OC;MKCPAZZHDRIXRM-UHFFFAOYSA-N;142.2;1.26;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda_C3";;;;;;;2.57;;0.44;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM440219;MM440219;CC1CC1(O)CC(C)(C)C;LFHJVOJEEXUVIA-UHFFFAOYSA-N;142.24;2.19;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNda_C3";;;;;;;2.57;;0.44;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM440220;MM440220;N#CCNC=C(C#N)C=O;FKLXRDUEUZVGNV-UHFFFAOYSA-N;135.13;-0.29;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_Na";;;;;;;-0.24;;-3.24;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM440221;MM440221;C=CN(C=N)NC1CC1C;BKUYFKKYENEVBC-UHFFFAOYSA-N;139.2;0.95;;;;;DOPC;MDCG;27;1;"MARTINI bead: SC5_P3";;;;;;;-0.33;;-4.72;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM440222;MM440222;CC1C(CO)=CCC1C#N;SEYQEIHUVLDYGM-UHFFFAOYSA-N;137.18;1.08;;;;;DOPC;MDCG;27;0;"MARTINI bead: SN0_SC5";;;;;;;1.94;;0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM440223;MM440223;NCC=C1C=NN(C=O)C1;RDPJMMOETNOKFH-UHFFFAOYSA-N;139.16;-0.67;;;;;DOPC;MDCG;27;1;"MARTINI bead: SP1_SP2";;;;;;;-1.06;;-5.74;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM440224;MM440224;C#CC1CC1CC(=C)OC;YXCHDEWYDRGZTB-UHFFFAOYSA-N;136.19;1.81;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_SC5";;;;;;;2.41;;0.64;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM440225;MM440225;C=CCC1CC1CCC#N;LKQFRQBKIYTVPJ-UHFFFAOYSA-N;135.21;2.5;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC4_P1";;;;;;;1.37;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM440226;MM440226;N#CC(C#N)=CNCC=O;ZKNUHOHSSKAPFQ-UHFFFAOYSA-N;135.13;-0.29;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_Nd";;;;;;;-0.24;;-3.16;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM440227;MM440227;C=CN(C=O)NC1CC1C;KOVSTXWRUHSRIX-UHFFFAOYSA-N;140.19;0.5;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC5_P2";;;;;;;0.54;;-1.09;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM440228;MM440228;CC1C(CF)=CCC1C#N;QZGLKFBMYVWSBU-UHFFFAOYSA-N;139.17;2.06;;;;;DOPC;MDCG;27;0;"MARTINI bead: SN0_SC4";;;;;;;2.5;;0.44;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM440229;MM440229;CN=CC1=CNN(C=N)C1;ARBRJBJCWJQVHP-UHFFFAOYSA-N;138.17;;;;;;DOPC;MDCG;27;1;"MARTINI bead: SP2_SP2";;;;;;;-1.34;;-5.65;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM440230;MM440230;C#CC1CC1CC(=O)OC;FUOVXXMOTIZXGY-UHFFFAOYSA-N;138.17;0.82;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_SC5";;;;;;;1.64;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM440231;MM440231;C=CCCC1CC1CC=O;JVROTRHQFWJNNS-UHFFFAOYSA-N;138.21;2.18;;;;;DOPC;MDCG;27;0;"MARTINI bead: C3_SNa";;;;;;;2.57;;0.45;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM440232;MM440232;C=CC(C=O)=CNNC=N;LSPGTXACWFUQRG-UHFFFAOYSA-N;139.16;-0.04;;;;;DOPC;MDCG;27;1;"MARTINI bead: Na_P4";;;;;;;-1.19;;-7.12;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM440233;MM440233;CC1CC1NN(C=N)C=N;QUMWIDXFFMWWMB-UHFFFAOYSA-N;140.19;0.42;;;;;DOPC;MDCG;27;1;"MARTINI bead: SC5_P3";;;;;;;-0.33;;-3.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM440234;MM440234;CN=CC1=CNN(C=O)C1;ZUJWWOZLKUPYBG-UHFFFAOYSA-N;139.16;-0.45;;;;;DOPC;MDCG;27;1;"MARTINI bead: SP2_SP2";;;;;;;-1.34;;-7.4;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM440235;MM440235;C=CC1CC=C(CN)C1N;IOSIPYOQYMEIRB-UHFFFAOYSA-N;138.21;0.4;;;;;DOPC;MDCG;27;1;"MARTINI bead: SP1_SC3";;;;;;;1.74;;-1.68;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM440236;MM440236;C=CCCC1CC1CC#N;BMWHXWVRKOHRPG-UHFFFAOYSA-N;135.21;2.5;;;;;DOPC;MDCG;27;0;"MARTINI bead: C3_SC5";;;;;;;3.34;;0.48;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM440237;MM440237;C#CC1CC1OC(=O)CO;FGPJXANOBPAJJX-UHFFFAOYSA-N;140.14;-0.46;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_SC5";;;;;;;0.54;;-1.09;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM440238;MM440238;C=CC(C#N)=CNNC=N;ASPZEJPZNDHAQB-UHFFFAOYSA-N;136.16;0.28;;;;;DOPC;MDCG;27;1;"MARTINI bead: C5_P4";;;;;;;-0.41;;-5.15;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM440239;MM440239;CC1CC1NN(C=N)C=O;JHISUSAGSYGSJE-UHFFFAOYSA-N;141.17;-0.04;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC5_P4";;;;;;;-0.41;;-2.78;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM440240;MM440240;C=CC1CC=C(OC)C1C;RBCCZWZASMHGLU-UHFFFAOYSA-N;138.21;2.36;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC4_SC3";;;;;;;3.9;;0.47;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM440241;MM440241;CCOC(=NN)C(C)(C)F;MQBZVJFLMXNIRT-UHFFFAOYSA-N;148.18;1.04;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda_C5";;;;;;;1.64;;0.05;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM440242;MM440242;C#CC1CC1OC(=O)NC;PEOTUQLEZUWXPJ-UHFFFAOYSA-N;139.15;0.36;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_SC5";;;;;;;0.54;;-1.09;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM440243;MM440243;N#CCCC1CC1CC=O;NAUJBLGCDXCZMJ-UHFFFAOYSA-N;137.18;1.52;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNa_P1";;;;;;;0.04;;-2.54;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM440244;MM440244;C=CC(C=O)=CNNC=O;BWBZPYBIEUIXEZ-UHFFFAOYSA-N;140.14;-0.49;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_P4";;;;;;;-1.19;;-4.76;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM440245;MM440245;CC1CC1NN(C=O)C=O;FXIOUHJJDBFVNR-UHFFFAOYSA-N;142.16;-0.49;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC5_P3";;;;;;;-0.33;;-2.01;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM440246;MM440246;C=COC(=NN)C(C)(C)F;OWKCUFWIXKPMPO-UHFFFAOYSA-N;146.17;1.17;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_Nda";;;;;;;1.64;;0.05;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM440247;MM440247;C=CC1NN=C(CC)C1C;WPIAXNHAAPVPHG-UHFFFAOYSA-N;138.21;1.55;;;;;DOPC;MDCG;27;0;"MARTINI bead: SN0_SNd";;;;;;;1.17;;-1.04;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM440248;MM440248;N#CCC1CC1CCC=O;YWVHBLIIXPCJFC-UHFFFAOYSA-N;137.18;1.52;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_SC5";;;;;;;1.64;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM440249;MM440249;C#CC1CC1OC(=O)OC;JIQCXETUZFBMAR-UHFFFAOYSA-N;140.14;0.79;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_SC5";;;;;;;1.64;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM440250;MM440250;N=CNNC=C(C=O)C=O;CQOVWIKIXXDQBG-UHFFFAOYSA-N;141.13;-1.03;;;;;DOPC;MDCG;27;1;"MARTINI bead: P4_Na";;;;;;;-1.19;;-7.12;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM440251;MM440251;C=CN(C=N)NC1CC1N;KGULDYKVPDNWOO-UHFFFAOYSA-N;140.19;-0.36;;;;;DOPC;MDCG;27;1;"MARTINI bead: SP1_P3";;;;;;;-1.93;;-7.42;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM440252;MM440252;C#CC(F)(F)C(N)C(F)F;NAROMYIASUOVFV-UHFFFAOYSA-N;155.09;0.85;;;;;DOPC;MDCG;27;0;"MARTINI bead: N0_Nd";;;;;;;1.17;;-1.04;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM440253;MM440253;CCC(C)(F)C(=NN)OC;JINLZQVMAKAGOF-UHFFFAOYSA-N;148.18;1.04;;;;;DOPC;MDCG;27;0;"MARTINI bead: C2_P1";;;;;;;2;;0.29;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM440254;MM440254;N#CCCC1CC1CC#N;JVZDAPNOUIDBRU-UHFFFAOYSA-N;134.18;1.84;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_SC5";;;;;;;0.81;;-0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM440255;MM440255;C#CC1NC1CC(=C)CN;VWJNXMXWMHVIFN-UHFFFAOYSA-N;136.2;-0.14;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_SP3";;;;;;;-1.1;;-6.17;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM440256;MM440256;N#CC(C#N)=CNNC=N;HAYYDLKDXPDYPI-UHFFFAOYSA-N;135.13;-0.38;;;;;DOPC;MDCG;27;1;"MARTINI bead: P4_N0";;;;;;;-0.88;;-6.1;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM440257;MM440257;C=Cn1ccc(NCC)n1;HSZLYVDKXVBSGQ-UHFFFAOYSA-N;137.19;1.42;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNd_SNa";;;;;;;0.87;;-1.88;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM440258;MM440258;C=CN(C=O)NC1CC1N;JPRZDPNGLKOXSL-UHFFFAOYSA-N;141.17;-0.81;;;;;DOPC;MDCG;27;1;"MARTINI bead: SP1_P2";;;;;;;-1.06;;-5.17;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM440259;MM440259;CCC1(O)CC1C(C)(C)C;ZIJRVUDQBXECLE-UHFFFAOYSA-N;142.24;2.19;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNda_C3";;;;;;;2.57;;0.44;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM440260;MM440260;CNN(C=O)C=CC(C)=O;ZHILQHIIYMXPLT-UHFFFAOYSA-N;142.16;-0.32;;;;;DOPC;MDCG;27;0;"MARTINI bead: P4_Na";;;;;;;-1.19;;-4.76;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM440261;MM440261;C#CC1NC1CC(=C)CF;KUDYUJPQBYFZSD-UHFFFAOYSA-N;139.17;0.88;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4_SP3";;;;;;;0.23;;-1.03;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM440262;MM440262;C#CC(C)(F)C(=NN)OC;ZYHCNNCXGLWVAH-UHFFFAOYSA-N;144.15;0.27;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_C5";;;;;;;0.81;;-0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM440263;MM440263;C=CC1OC=C(CC)C1C;KCEQSDJAZJESMP-UHFFFAOYSA-N;138.21;2.5;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC4_SC5";;;;;;;2.97;;0.45;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM440264;MM440264;O=CNNC=C(C=O)C=O;WSQOVJISCXQQLI-UHFFFAOYSA-N;142.11;-1.48;;;;;DOPC;MDCG;27;0;"MARTINI bead: P4_Na";;;;;;;-1.19;;-4.76;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM440265;MM440265;N=CN(C=N)NC1CC1N;JGOREBNQEJTORU-UHFFFAOYSA-N;141.18;-0.89;;;;;DOPC;MDCG;27;1;"MARTINI bead: SP1_P3";;;;;;;-1.93;;-5.87;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM440266;MM440266;C#CCC(=C)C(C)(O)CC;LADXOPMDVDUCCW-UHFFFAOYSA-N;138.21;1.73;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda_C5";;;;;;;1.64;;0.05;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM440267;MM440267;C=CCC1CC1CNN=C;UFUDVACSEGUXFX-UHFFFAOYSA-N;138.21;1.4;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC4_P2";;;;;;;1.09;;-0.37;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM440268;MM440268;C=NNCCC(=NN)OC;RWPOLCHGMIKLRW-UHFFFAOYSA-N;144.18;-0.5;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda_P2";;;;;;;-0.24;;-3.31;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM440269;MM440269;N=CN(C=O)NC1CC1N;MBSHIZJBFRZGTB-UHFFFAOYSA-N;142.16;-1.34;;;;;DOPC;MDCG;27;1;"MARTINI bead: SP1_P4";;;;;;;-2.01;;-6.46;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM440270;MM440270;N#CC(C=O)=CNNC=O;QTJFTBVRJFQHRI-UHFFFAOYSA-N;139.11;-1.16;;;;;DOPC;MDCG;27;0;"MARTINI bead: P4_Na";;;;;;;-1.19;;-4.76;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM440271;MM440271;C=CC1ON=C(CF)C1C;JWNBJTPXVPPSLD-UHFFFAOYSA-N;143.16;1.53;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNa_SNa";;;;;;;0.87;;-2.22;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM440272;MM440272;C=CCC1CC1COC=C;CGYXDUVNEIMXJU-UHFFFAOYSA-N;138.21;2.36;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC4_Na";;;;;;;2.2;;0.34;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM440273;MM440273;C#CC1NC1CC(=N)NC;ZXLYWIMRZSFSPL-UHFFFAOYSA-N;137.19;-0.45;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1_SP3";;;;;;;-1.93;;-8.81;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM440274;MM440274;CONC(=N)OC(C)=NN;FOBKWSCXNKAGSM-UHFFFAOYSA-N;146.15;-0.62;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_Nd";;;;;;;-0.24;;-3.16;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM440275;MM440275;N#CC(C#N)=CNNC=O;WVEYQMVOBOVIPW-UHFFFAOYSA-N;136.11;-0.83;;;;;DOPC;MDCG;27;0;"MARTINI bead: P4_N0";;;;;;;-0.88;;-3.74;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM440276;MM440276;NC1CC1NN(C=O)C=O;NYXNVCFVIHOCSY-UHFFFAOYSA-N;143.15;-1.79;;;;;DOPC;MDCG;27;1;"MARTINI bead: SP1_P3";;;;;;;-1.93;;-6.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM440277;MM440277;C=CC1ON=C(OC)C1C;OXORJVASPCVMFF-UHFFFAOYSA-N;141.17;1.17;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNa_SNa";;;;;;;0.87;;-2.22;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM440278;MM440278;C#CC1NC1CC(=N)NN;WNNGHYWIXOXSFL-UHFFFAOYSA-N;138.17;-1.21;;;;;DOPC;MDCG;27;1;"MARTINI bead: P2_SP3";;;;;;;-2.2;;-8.46;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM440279;MM440279;C=CCCC1CC1NN=C;DXTYRPXYZRMJLO-UHFFFAOYSA-N;138.21;1.55;;;;;DOPC;MDCG;27;0;"MARTINI bead: C3_SNd";;;;;;;2.57;;0.53;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM440280;MM440280;C=NNC(N)=CC(=O)C#N;XVDLWGNIXBRLBQ-UHFFFAOYSA-N;138.13;-0.92;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nd_P1";;;;;;;0.04;;-2.63;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM440281;MM440281;C=CC1CN=C(CC)N1C;XXJNSMZQHHFBTD-UHFFFAOYSA-N;138.21;1.29;;;;;DOPC;MDCG;27;1;"MARTINI bead: SNd_SP1";;;;;;;0.04;;-5.22;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM440282;MM440282;C=CCOC=C(C=C)C=C;DFSBRPFGIGUSRY-UHFFFAOYSA-N;136.19;2.44;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_C2";;;;;;;2.83;;0.35;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM440283;MM440283;C=CN(C=N)NC1CC1O;GLWPHHSVNKMDNG-UHFFFAOYSA-N;141.17;-0.32;;;;;DOPC;MDCG;27;1;"MARTINI bead: SP1_P3";;;;;;;-1.93;;-7.41;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM440284;MM440284;COC(CCOC=O)=NN;UWYSNUYQFTVZJA-UHFFFAOYSA-N;146.15;-0.53;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda_P1";;;;;;;0.04;;-2.73;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM440285;MM440285;C=CCCC1CC1OC=C;KRXCWMMVDOAVLL-UHFFFAOYSA-N;138.21;2.5;;;;;DOPC;MDCG;27;0;"MARTINI bead: C3_SNa";;;;;;;2.57;;0.45;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM440286;MM440286;C#CC#CC(=NN)OC=O;FHERCEJLIWTHDB-UHFFFAOYSA-N;136.11;-0.93;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_N0";;;;;;;0.34;;-1.53;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM440287;MM440287;C=CC=C1C=CC(C=C)C1;WVXIRYRJFYZVRM-UHFFFAOYSA-N;132.21;2.86;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC4_SC4";;;;;;;3.53;;0.53;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM440288;MM440288;C=CC1CN=C(CN)N1C;MFOHBXKGTAIAFG-UHFFFAOYSA-N;139.2;-0.16;;;;;DOPC;MDCG;27;1;"MARTINI bead: SP1_SP2";;;;;;;-1.06;;-5.22;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM440289;MM440289;C=CC(C=C)=COCC=O;IFFJXEVHJXGOOU-UHFFFAOYSA-N;138.17;1.46;;;;;DOPC;MDCG;27;0;"MARTINI bead: C2_P2";;;;;;;1.72;;0.27;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM440290;MM440290;C#CC1NC1CC(=O)NO;FJUZIDGEZWKVMX-UHFFFAOYSA-N;140.14;-1.14;;;;;DOPC;MDCG;27;0;"MARTINI bead: P3_SP3";;;;;;;-3.07;;-6.15;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM440291;MM440291;N=CN(C=N)NC1CC1O;DVJHKXQNTYTSNM-UHFFFAOYSA-N;142.16;-0.86;;;;;DOPC;MDCG;27;1;"MARTINI bead: SP1_P3";;;;;;;-1.93;;-5.76;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM440292;MM440292;C=CC1CN=C(CO)N1C;HHGYZXQPBSUPGM-UHFFFAOYSA-N;140.19;-0.12;;;;;DOPC;MDCG;27;1;"MARTINI bead: SP1_SP1";;;;;;;-0.79;;-4.31;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM440294;MM440294;C=CC(C=C)=COCC#N;RQFCJQGWFKBBRW-UHFFFAOYSA-N;135.17;1.78;;;;;DOPC;MDCG;27;0;"MARTINI bead: C2_P1";;;;;;;2;;0.29;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM440293;MM440293;C=NOC1CC1CCC#N;NZMVPNXVOVYXDQ-UHFFFAOYSA-N;138.17;1.31;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNa_P1";;;;;;;0.04;;-2.54;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM440295;MM440295;C=CC1C=CC(=CC=O)C1;SJHGUJRFEKDCAB-UHFFFAOYSA-N;134.18;1.87;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC4_SNa";;;;;;;2.2;;0.34;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM440296;MM440296;C#CC1NC1CC(=C)OC;PUCMZMNYQZLEIQ-UHFFFAOYSA-N;137.18;0.51;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_SP3";;;;;;;-0.33;;-2.01;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM440297;MM440297;CC=NNC(=NOC)OC;GOHNBUQXSHMVOD-UHFFFAOYSA-N;145.16;0.15;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_Nd";;;;;;;0.87;;-1.88;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM440298;MM440298;C=CCOC=C(C=C)C=O;FCJMONNCZNSDJI-UHFFFAOYSA-N;138.17;1.46;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_Na";;;;;;;0.87;;-2.22;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM440299;MM440299;C=CCOC1CC1CC=C;UEHZRPJDCYUBOZ-UHFFFAOYSA-N;138.21;2.15;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_SC4";;;;;;;2.2;;0.34;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM440300;MM440300;CCC1=NCC(C=O)N1C;HBSKMDPUEYGLCF-UHFFFAOYSA-N;140.19;0.31;;;;;DOPC;MDCG;27;1;"MARTINI bead: SNd_SP2";;;;;;;-0.24;;-4.77;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM440301;MM440301;C=CC1C=CC(=CC#N)C1;CVANTJFKPTVGDS-UHFFFAOYSA-N;131.18;2.2;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC4_SC5";;;;;;;2.97;;0.45;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM440302;MM440302;C#CC1NC1CC(=O)OC;CWSKHGFMDVQJQJ-UHFFFAOYSA-N;139.15;-0.48;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_SP3";;;;;;;-1.1;;-4.2;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM440303;MM440303;CCc1nc(=N)onc1N;XDLKEJQHAUFXBD-UHFFFAOYSA-N;140.15;-0.31;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP1_SP3";;;;;;;-1.93;;-4.72;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM440304;MM440304;C=CCOC=C(C#N)C=C;PTNNPQKHOLDABT-UHFFFAOYSA-N;135.17;1.78;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_C5";;;;;;;1.64;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM440305;MM440305;CCC1=CCN(C=N)C1C;XUKTUOIRDXTIMB-UHFFFAOYSA-N;138.21;1.63;;;;;DOPC;MDCG;27;1;"MARTINI bead: SN0_SNd";;;;;;;1.17;;-4.05;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM440306;MM440306;C=CCOC1CC1CC=O;XDKZVKQTKJRQSZ-UHFFFAOYSA-N;140.18;1.17;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_SNa";;;;;;;0.87;;-2.22;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM440307;MM440307;C=CC=C1C=CC(C=O)C1;CKNBVCCEOCDHST-UHFFFAOYSA-N;134.18;1.87;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC4_SNa";;;;;;;2.2;;0.34;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM440308;MM440308;C#CC1OC1CC(=N)NC;NRIKNKHKRHDKPE-UHFFFAOYSA-N;138.17;-0.03;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1_SNa";;;;;;;0.04;;-7.26;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM440309;MM440309;C=CN(C=N)NC1CC1F;XBXVADZGQPFCCI-UHFFFAOYSA-N;143.17;0.65;;;;;DOPC;MDCG;27;1;"MARTINI bead: SNa_P3";;;;;;;-1.1;;-6.88;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM440310;MM440310;C=CCOC1CC1CC#N;OOKAUNHNKMQEAS-UHFFFAOYSA-N;137.18;1.49;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_SC5";;;;;;;1.64;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM440311;MM440311;C=CC(C#N)=COCC=O;GEPVMDVLJBKVNT-UHFFFAOYSA-N;137.14;0.8;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_N0";;;;;;;0.34;;-1.53;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM440312;MM440312;C=CC=C1C=CC(C#N)C1;PPUQFLFXEZYXHL-UHFFFAOYSA-N;131.18;2.2;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC4_SN0";;;;;;;2.5;;0.44;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM440313;MM440313;CC1C(CN)=CCN1C=N;DVWADBPAHAWFBL-UHFFFAOYSA-N;139.2;0.18;;;;;DOPC;MDCG;27;1;"MARTINI bead: SNd_SP2";;;;;;;-0.24;;-6.13;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM440314;MM440314;C#CC1OC1CC(=N)NO;KFPOFOBJVHODJQ-UHFFFAOYSA-N;140.14;-0.27;;;;;DOPC;MDCG;27;1;"MARTINI bead: P2_SNa";;;;;;;-0.24;;-5.16;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM440315;MM440315;C=CN(C=O)NC1CC1F;PSROVDNAYANJPI-UHFFFAOYSA-N;144.15;0.2;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNa_P2";;;;;;;-0.24;;-3.24;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM440316;MM440316;C=CCOC1CC1OC=C;MTRLCWPUJCBNOR-UHFFFAOYSA-N;140.18;1.49;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_SNa";;;;;;;0.87;;-2.22;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM440317;MM440317;O=CC=C1C=CC(C=O)C1;FXGFTIWZJFNUKS-UHFFFAOYSA-N;136.15;0.89;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNa_SNa";;;;;;;0.87;;-2.22;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM440318;MM440318;CC1C(CO)=CCN1C=N;VWQTYHQKHQJYDJ-UHFFFAOYSA-N;140.19;0.22;;;;;DOPC;MDCG;27;1;"MARTINI bead: SNd_SP2";;;;;;;-0.24;;-6.1;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM440319;MM440319;C=CCOC=C(C#N)C#N;XNMVMSIECBWXHN-UHFFFAOYSA-N;134.14;1.12;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_N0";;;;;;;1.17;;-1.18;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM440320;MM440320;N=CN(C=N)NC1CC1F;KMMIRYLXVLTJNT-UHFFFAOYSA-N;144.15;0.12;;;;;DOPC;MDCG;27;1;"MARTINI bead: SNa_P3";;;;;;;-1.1;;-5.24;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM440321;MM440321;C=CCCOC(CC)=NN;PSYSUYLRACSUSE-UHFFFAOYSA-N;142.2;1.26;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_C3";;;;;;;1.74;;0.29;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM440322;MM440322;C=CCOC1CC1ON=C;MTFCQOOGTRRFLI-UHFFFAOYSA-N;141.17;0.96;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_SNa";;;;;;;0.87;;-2.22;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM440323;MM440323;N#CC=C1C=CC(C=O)C1;UESYPHDWOXLNNO-UHFFFAOYSA-N;133.15;1.21;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNa_SC5";;;;;;;1.64;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM440324;MM440324;N#CC(C#N)=COCC=O;GIAPOLXZPYTNJF-UHFFFAOYSA-N;136.11;0.13;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_P1";;;;;;;0.04;;-2.54;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM440325;MM440325;CC1C(CF)=CCN1C=N;UWJWSDYTGMNLTG-UHFFFAOYSA-N;142.18;1.19;;;;;DOPC;MDCG;27;1;"MARTINI bead: SNd_SNa";;;;;;;0.87;;-4.83;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM440326;MM440326;C=CN(C=N)OC1CC1C;GBQMMQGINODRLW-UHFFFAOYSA-N;140.19;1.38;;;;;DOPC;MDCG;27;1;"MARTINI bead: SC5_P2";;;;;;;0.54;;-2.41;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM440327;MM440327;C#CC1OC1CC(=O)NO;SRJAMQUQWAZFRG-UHFFFAOYSA-N;141.13;-0.72;;;;;DOPC;MDCG;27;0;"MARTINI bead: P3_SNa";;;;;;;-1.1;;-4.2;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM440328;MM440328;C=CCCC1NC1CC#N;IYVNRNMDZCBXAY-UHFFFAOYSA-N;136.2;1.21;;;;;DOPC;MDCG;27;0;"MARTINI bead: C3_SP2";;;;;;;1.46;;-0.15;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM440329;MM440329;N#CC1C=CC(=CC=O)C1;XQJAOCZDLABKPV-UHFFFAOYSA-N;133.15;1.21;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNa_SN0";;;;;;;1.17;;-1.18;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM440330;MM440330;C=CCNN=C(C=C)C=C;RYMWDDGSQBUIJH-UHFFFAOYSA-N;136.2;1.49;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_N0";;;;;;;1.94;;0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM440331;MM440331;C=CN(C=O)OC1CC1C;LJUGIYMHARIAEO-UHFFFAOYSA-N;141.17;0.93;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC5_P2";;;;;;;0.54;;-1.09;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM440332;MM440332;CCC1=CCN(C=O)C1C;VZRWLHXNHQJWBZ-UHFFFAOYSA-N;139.2;1.18;;;;;DOPC;MDCG;27;0;"MARTINI bead: SN0_SNda";;;;;;;1.17;;-1.13;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM440333;MM440333;C#CC1OC1CC(=C)OC;OWDQAQFGVTWOHU-UHFFFAOYSA-N;138.17;0.94;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_SNa";;;;;;;1.64;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM440334;MM440334;C=NN(C=N)C=CC(C)=O;QISJIIKETWTPPS-UHFFFAOYSA-N;139.16;0.61;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_P2";;;;;;;-0.24;;-3.24;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM440335;MM440335;CC1C(CF)=CCN1C=O;RRFSTRZASULNRJ-UHFFFAOYSA-N;143.16;0.74;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNda_SNa";;;;;;;0.87;;-1.99;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM440336;MM440336;N#CC=C1C=CC(C#N)C1;YTOZATWLIVLUFP-UHFFFAOYSA-N;130.15;1.54;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC5_SN0";;;;;;;1.94;;0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM440337;MM440337;C=CC(=CC)OC=NNC;ZGSLYZUALANASQ-UHFFFAOYSA-N;140.19;1.26;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_C1";;;;;;;1.8;;0.4;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM440338;MM440338;CC1CC1ON(C=N)C=O;FTTWRQSDEXHJAZ-UHFFFAOYSA-N;142.16;0.39;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC5_P3";;;;;;;-0.33;;-2.01;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM440339;MM440339;C#CC1CN1CC(=C)CC;RIJJEBBNSJBNIM-UHFFFAOYSA-N;135.21;1.27;;;;;DOPC;MDCG;27;0;"MARTINI bead: C3_SP1";;;;;;;1.74;;0.29;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM440340;MM440340;N#CCCC1NC1CC#N;GISLADIIAQAVTD-UHFFFAOYSA-N;135.17;0.54;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_SP2";;;;;;;-1.06;;-3.82;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM440341;MM440341;CCN1CC(=N)N(N)C=N1;FIWJLAYTYBECLI-UHFFFAOYSA-N;141.18;-0.58;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP2_SP2";;;;;;;-1.34;;-4.31;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM440342;MM440342;C=NN1CC=C(CN)C1C;MWYIEAYYNUYZLI-UHFFFAOYSA-N;139.2;0.19;;;;;DOPC;MDCG;27;1;"MARTINI bead: SN0_SP2";;;;;;;0.06;;-4.1;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM440343;MM440343;C=NOC(C=C(C)F)=NN;VYMBVRCTDLNAIJ-UHFFFAOYSA-N;145.14;0.76;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_P1";;;;;;;0.81;;-0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM440344;MM440344;CC1CC1ON(C=O)C=O;WFQSLTDLBNVKML-UHFFFAOYSA-N;143.14;-0.06;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC5_P2";;;;;;;0.54;;-1.09;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM440345;MM440345;C=CCCC1OC1CC=C;CNVHJISEMDGYHN-UHFFFAOYSA-N;138.21;2.3;;;;;DOPC;MDCG;27;0;"MARTINI bead: C3_SNa";;;;;;;2.57;;0.45;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM440346;MM440346;C#CC1CN1CC(=C)CN;XUPAGPFAHQHUBC-UHFFFAOYSA-N;136.2;-0.18;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1_SP1";;;;;;;-0.79;;-5.05;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM440347;MM440347;C=CCON=C(C=C)C=O;GJUGPSBBUZNNJB-UHFFFAOYSA-N;139.15;0.93;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4_P2";;;;;;;1.09;;-0.38;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM440348;MM440348;C=NN1CC=C(CF)C1C;VGNZYEIETVSEJE-UHFFFAOYSA-N;142.18;1.2;;;;;DOPC;MDCG;27;0;"MARTINI bead: SN0_SNa";;;;;;;1.17;;-1.18;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM440349;MM440349;C=NN=C1C=CC(C#N)C1;SFGSZCVAXMHEAJ-UHFFFAOYSA-N;133.15;1.14;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC5_SN0";;;;;;;1.94;;0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM440350;MM440350;C=CN(C=N)OC1CC1N;LKHDWAAZYDPGGY-UHFFFAOYSA-N;141.17;0.07;;;;;DOPC;MDCG;27;1;"MARTINI bead: SP1_P2";;;;;;;-1.06;;-5.27;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM440351;MM440351;C=CCCC1OC1CC#N;YORQXCNIBSQHEH-UHFFFAOYSA-N;137.18;1.63;;;;;DOPC;MDCG;27;0;"MARTINI bead: C3_SNa";;;;;;;2.57;;0.45;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM440352;MM440352;C#CC1CN1CC(=C)CF;JHTPXYHXMHLSSS-UHFFFAOYSA-N;139.17;0.83;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_SP1";;;;;;;0.04;;-2.54;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM440353;MM440353;COc1oc(=NN)oc1N;BIFBHVXYECFQBE-UHFFFAOYSA-N;145.12;-0.76;;;;;DOPC;MDCG;27;0;"MARTINI bead: P3_SP2";;;;;;;-2.2;;-5.19;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM440354;MM440354;CC(F)=COC(=O)C(=O)O;ZISCHGXNDWHZRL-UHFFFAOYSA-N;148.09;0.45;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_P1";;;;;;;0.81;;-5.61;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM440355;MM440355;C=CC1=CCC(C=C)C1C;QIUZDJBMTKSQBN-UHFFFAOYSA-N;134.22;2.94;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC3_SC2";;;;;;;4.53;;0.32;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM440356;MM440356;C=CN(C=O)OC1CC1N;GWYANIXWXCNQQF-UHFFFAOYSA-N;142.16;-0.38;;;;;DOPC;MDCG;27;1;"MARTINI bead: SP1_P2";;;;;;;-1.06;;-5.19;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM440357;MM440357;N#CCCC1OC1CC#N;MAYIYOXAMGUFOD-UHFFFAOYSA-N;136.15;0.97;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_SNa";;;;;;;0.04;;-2.54;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM440358;MM440358;C#CC1CN1CC(=O)CC;RZGFUDFZULGJCY-UHFFFAOYSA-N;137.18;0.28;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_SP1";;;;;;;0.04;;-2.54;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM440359;MM440359;N#CC(C=O)=NOCC=O;WSFPNEBQUVHHPT-UHFFFAOYSA-N;140.1;-0.72;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_P2";;;;;;;-0.24;;-3.24;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM440360;MM440360;C=CC1C=CC(NC=N)=N1;XUDOQJIYFCVSQZ-UHFFFAOYSA-N;135.17;0.71;;;;;DOPC;MDCG;27;1;"MARTINI bead: SN0_SP1";;;;;;;0.34;;-3.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM440361;MM440361;C=CC1CC=C(C=O)C1C;IIBNHHDUUSVYHA-UHFFFAOYSA-N;136.19;1.95;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC3_SC5";;;;;;;3.34;;0.48;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM440362;MM440362;C#CC1CN1CC(=N)NN;JZTCJBPSLHHPBI-UHFFFAOYSA-N;138.17;-1.26;;;;;DOPC;MDCG;27;1;"MARTINI bead: P4_SP1";;;;;;;-2.01;;-7.42;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM440363;MM440363;NC1CC1ON(C=O)C=O;SDMAISSBZHRSGQ-UHFFFAOYSA-N;144.13;-1.37;;;;;DOPC;MDCG;27;1;"MARTINI bead: SP1_P2";;;;;;;-1.06;;-5.19;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM440364;MM440364;C=CCC1OC1CON=C;MHZAXLZBCBELMD-UHFFFAOYSA-N;141.17;0.96;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNa_P1";;;;;;;0.04;;-2.54;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM440365;MM440365;C=NN=C1C=CC(C=O)N1;YKVNKGMPYUJURJ-UHFFFAOYSA-N;137.14;-0.27;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNd_SP2";;;;;;;-0.24;;-3.16;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM440366;MM440366;C#CCCC=C(C=C)C=C;AKNWYHODLPCRQU-UHFFFAOYSA-N;132.21;2.7;;;;;DOPC;MDCG;27;0;"MARTINI bead: C2_C5";;;;;;;3.6;;0.34;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM440367;MM440367;C=CC1CC=C(C#N)C1C;UHOBVIVGZCCJAH-UHFFFAOYSA-N;133.19;2.28;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC3_SC5";;;;;;;3.34;;0.48;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM440368;MM440368;C=COCOC(CC)=NN;WEUQDGKEJQCSPX-UHFFFAOYSA-N;144.17;0.8;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_P1";;;;;;;0.81;;-0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM440369;MM440369;C=CN(C=O)OC1CC1O;XIDZAGUOSODAKO-UHFFFAOYSA-N;143.14;-0.35;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP1_P2";;;;;;;-1.06;;-3.82;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM440370;MM440370;C#CC1(C=O)CC(C)=NN1;PZHSYDHKIVKDIG-UHFFFAOYSA-N;136.15;-0.07;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP1_SNda";;;;;;;0.04;;-2.73;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM440371;MM440371;C=CC=C1C=CC(C=C)O1;TZSVLYWYUKWASL-UHFFFAOYSA-N;134.18;2.2;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC5_SN0";;;;;;;1.94;;0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM440372;MM440372;C#CCCC=C(C=C)C=O;GKVJZEDXTSHIJA-UHFFFAOYSA-N;134.18;1.71;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_C5";;;;;;;1.64;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM440373;MM440373;C=CC1=CCC(C=O)C1C;AJVGRCWBPSKUGB-UHFFFAOYSA-N;136.19;1.95;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNa_SC2";;;;;;;2.83;;0.35;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM440374;MM440374;C#CC1CN1CC(=C)OC;HTYBOMIIIFKOIS-UHFFFAOYSA-N;137.18;0.46;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_SP1";;;;;;;0.04;;-2.54;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM440375;MM440375;N=CN(C=O)OC1CC1O;JBSKCOHQGWBBDZ-UHFFFAOYSA-N;144.13;-0.88;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP1_P3";;;;;;;-1.93;;-4.72;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM440376;MM440376;C=NNCC1CN1CC#N;SIOMMMDDCTWQKX-UHFFFAOYSA-N;138.17;-0.6;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_SP1";;;;;;;-1.06;;-3.82;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM440377;MM440377;C=CC=C1C=CC(C=O)O1;ACGCECXPKDRBIN-UHFFFAOYSA-N;136.15;1.21;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC5_SP1";;;;;;;0.81;;-0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM440378;MM440378;C#CCCC=C(C#N)C=C;RQSKPPLYEBZWDR-UHFFFAOYSA-N;131.18;2.04;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_C5";;;;;;;2.41;;0.64;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM440379;MM440379;C=CC1=CCC(C#N)C1C;VMNVRRZQBDXSEY-UHFFFAOYSA-N;133.19;2.28;;;;;DOPC;MDCG;27;0;"MARTINI bead: SN0_SC2";;;;;;;3.13;;0.3;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM440380;MM440380;C=CN(C=N)OC1CC1F;CZDMJRWUGVGHFW-UHFFFAOYSA-N;144.15;1.08;;;;;DOPC;MDCG;27;1;"MARTINI bead: SNa_P2";;;;;;;-0.24;;-4.54;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM440381;MM440381;C#CC1CN1NC(=N)NN;WNFRRKBBXANCCY-UHFFFAOYSA-N;139.16;-1.79;;;;;DOPC;MDCG;27;1;"MARTINI bead: P4_SP2";;;;;;;-2.29;;-9.21;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM440382;MM440382;C=CCC1CN1CCC#N;HFTUVAPPXSLNLU-UHFFFAOYSA-N;136.2;1.16;;;;;DOPC;MDCG;27;0;"MARTINI bead: SN0_P2";;;;;;;0.06;;-2.21;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM440383;MM440383;C=CC=C1C=CC(C#N)O1;ZBXQAYNAXBHNEJ-UHFFFAOYSA-N;133.15;1.53;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC5_SN0";;;;;;;1.94;;0.56;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM440384;MM440384;C#CCNC=C(C#N)C=C;NUNFXLVYIXXMPE-UHFFFAOYSA-N;132.17;0.8;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_P2";;;;;;;0.54;;-1.09;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM440385;MM440385;CC1C(C=O)=CCC1C#N;PUFNXKUMIVKHJS-UHFFFAOYSA-N;135.17;1.29;;;;;DOPC;MDCG;27;0;"MARTINI bead: SN0_SC5";;;;;;;1.94;;0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM440386;MM440386;C=CN(C=O)OC1CC1F;MJTSGQWUIXBTPE-UHFFFAOYSA-N;145.13;0.63;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNa_P2";;;;;;;-0.24;;-3.24;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM440387;MM440387;C=CC=C1C=CN(C=N)C1;LPHVQZDKYUKZAA-UHFFFAOYSA-N;134.18;1.54;;;;;DOPC;MDCG;27;1;"MARTINI bead: SN0_SP1";;;;;;;0.34;;-4.38;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM440388;MM440388;C#CC1CC1CC(=C)C=C;SGLYYHCUNIGONW-UHFFFAOYSA-N;132.21;2.39;;;;;DOPC;MDCG;27;0;"MARTINI bead: C3_SC5";;;;;;;3.34;;0.48;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM440389;MM440389;C=CCCN1CC1CC#N;IKXUTGDXJIKBII-UHFFFAOYSA-N;136.2;1.16;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nd_SP2";;;;;;;-0.24;;-3.16;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM440390;MM440390;C#CCNC=C(C=O)C=O;GEWBRCQSNUZUPY-UHFFFAOYSA-N;137.14;-0.51;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_P2";;;;;;;-0.24;;-3.24;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM440391;MM440391;CC1C(C#N)=CCC1C#N;UEJZRQLLYKVSOY-UHFFFAOYSA-N;132.17;1.62;;;;;DOPC;MDCG;27;0;"MARTINI bead: SN0_SC5";;;;;;;1.94;;0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM440392;MM440392;N=CN(C=O)OC1CC1F;ZKWONRMBFBMOCF-UHFFFAOYSA-N;146.12;0.09;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNa_P3";;;;;;;-1.1;;-4.2;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM440393;MM440393;C=CC=C1C=CN(C=O)C1;ZSFFDNFLXKYRSW-UHFFFAOYSA-N;135.17;1.08;;;;;DOPC;MDCG;27;0;"MARTINI bead: SN0_SP1";;;;;;;0.34;;-1.53;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM440394;MM440394;N#CCCN1CC1CC#N;FKVLQGAHYSFQRM-UHFFFAOYSA-N;135.17;0.5;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_SP2";;;;;;;-1.34;;-4.31;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM440395;MM440395;C#CC1CC1CC(=O)C=O;XAMBAQAMPOPDSP-UHFFFAOYSA-N;136.15;0.41;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_SC5";;;;;;;0.81;;-0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM440396;MM440396;C#CCNC=C(C#N)C=O;KVFHLZJMOLMVGN-UHFFFAOYSA-N;134.14;-0.18;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_P2";;;;;;;-0.24;;-3.24;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM440397;MM440397;C=CC1=CCC(C=C)C1N;MHFGNYAAWZHKIM-UHFFFAOYSA-N;135.21;1.63;;;;;DOPC;MDCG;27;1;"MARTINI bead: SC3_SNd";;;;;;;2.57;;-1.18;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM440398;MM440398;CCC(CC)NN=COC;BUBBKCPXFPYCTD-UHFFFAOYSA-N;144.22;1.35;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_P1";;;;;;;0.81;;-0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM440399;MM440399;C=NN=C1C=CN(C=N)C1;SJLNOOWAUBBUGW-UHFFFAOYSA-N;136.16;0.48;;;;;DOPC;MDCG;27;1;"MARTINI bead: SP1_SP1";;;;;;;-0.79;;-5.2;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM440400;MM440400;C#CC1CC1NC(=O)C#N;LIYMVJDJNHKVSA-UHFFFAOYSA-N;134.14;-0.35;;;;;DOPC;MDCG;27;0;"MARTINI bead: P3_SC5";;;;;;;-0.33;;-2.01;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM440401;MM440401;C#CCCC1CC1CC=C;QGGLYJDLFLJWOU-UHFFFAOYSA-N;134.22;2.61;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC4_C5";;;;;;;2.97;;0.45;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM440402;MM440402;C#CCNC=C(C#N)C#N;SGFIMSWKQLMCHA-UHFFFAOYSA-N;131.14;0.14;;;;;DOPC;MDCG;27;0;"MARTINI bead: N0_P1";;;;;;;0.34;;-1.53;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM440403;MM440403;CON=C(C)CC=C(F)F;FRFDUZGOVOKPCZ-UHFFFAOYSA-N;149.14;2.18;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_C4";;;;;;;2.2;;0.34;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM440404;MM440404;C=CN(C=N)CC1NC1C;KFHPCGXYAJHJQZ-UHFFFAOYSA-N;139.2;0.4;;;;;DOPC;MDCG;27;1;"MARTINI bead: SP1_P1";;;;;;;-0.79;;-6.68;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM440405;MM440405;C#CCCC1CC1CC#N;RADAHFYCSLFKNV-UHFFFAOYSA-N;133.19;1.95;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_SC5";;;;;;;2.41;;0.64;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM440406;MM440406;CCOC(=N)NOC=NN;BTJGAGOFYYODEF-UHFFFAOYSA-N;146.15;-0.62;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_P1";;;;;;;-0.79;;-3.13;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM440407;MM440407;C#CCOC=C(C=C)C=C;KVURBTJGQUAIMT-UHFFFAOYSA-N;134.18;1.89;;;;;DOPC;MDCG;27;0;"MARTINI bead: C2_P2";;;;;;;1.72;;0.27;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM440408;MM440408;C#CC1CC1OC(=C)C=O;WLHNQJZMDFVVKI-UHFFFAOYSA-N;136.15;0.74;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_SC5";;;;;;;0.54;;-1.09;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM440409;MM440409;CC1NC1CN(C=N)C=N;AIJXEXRJDUJVRV-UHFFFAOYSA-N;140.19;-0.14;;;;;DOPC;MDCG;27;1;"MARTINI bead: SP1_P2";;;;;;;-1.06;;-5.49;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM440410;MM440410;CC(=O)CCNC(C)C#N;AUPHVVRTUVXGGA-UHFFFAOYSA-N;140.19;0.47;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_Na";;;;;;;-0.24;;-3.24;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM440411;MM440411;C#CCCC1CC1NC=N;KFYGTLSXZSKRGA-UHFFFAOYSA-N;136.2;0.98;;;;;DOPC;MDCG;27;1;"MARTINI bead: SP1_C5";;;;;;;0.81;;-4.61;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM440412;MM440412;CC(C)C(O)CCCCF;WQVODLWUXXTXAY-UHFFFAOYSA-N;148.22;2.14;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda_C4";;;;;;;2.2;;0.49;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM440413;MM440413;C#CCOC=C(C=C)C=O;ZXZUCHGYSBWXAR-UHFFFAOYSA-N;136.15;0.91;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_C4";;;;;;;1.09;;-0.38;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM440414;MM440414;C#CC1CC1OC(=O)C=O;KWKBRCKYRQJZFW-UHFFFAOYSA-N;138.12;-0.25;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_SC5";;;;;;;0.54;;-1.09;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM440415;MM440415;C=CC(C=C)CC1OC1C;ASAUVDWALOGNEU-UHFFFAOYSA-N;138.21;2.15;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNa_C2";;;;;;;2.83;;0.35;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM440416;MM440416;CC1C(C=O)=CNC1C#N;NXJFKMCNDYSDOG-UHFFFAOYSA-N;136.15;0.2;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNd_SP1";;;;;;;0.04;;-2.63;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM440417;MM440417;C#CCOC=C(C#N)C=C;VBESXJRHERERKF-UHFFFAOYSA-N;133.15;1.23;;;;;DOPC;MDCG;27;0;"MARTINI bead: N0_Na";;;;;;;1.17;;-1.18;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM440418;MM440418;C=CC=C1C=NN(C=N)C1;SWLOCBXDXHPARN-UHFFFAOYSA-N;135.17;1.01;;;;;DOPC;MDCG;27;0;"MARTINI bead: SN0_SP2";;;;;;;0.06;;-2.21;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM440419;MM440419;C#CC1CC1C(C)(O)CC;LTJXFKDFWSQQIV-UHFFFAOYSA-N;138.21;1.42;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda_SC5";;;;;;;1.64;;0.05;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM440420;MM440420;C#CC1CC1OC(=O)C#N;PVPNBGOTNNVRAZ-UHFFFAOYSA-N;135.12;0.07;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_SC5";;;;;;;0.81;;-0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM440421;MM440421;C=CC(C=O)CC1OC1C;OBOXDVXZDYHHFE-UHFFFAOYSA-N;140.18;1.16;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNa_Na";;;;;;;0.87;;-2.22;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM440422;MM440422;CC1C(C#N)=CNC1C#N;CVTMMPCYHSGORW-UHFFFAOYSA-N;133.15;0.53;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNd_SN0";;;;;;;1.17;;-1.04;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM440423;MM440423;C#CCON=C(C#N)C#N;IEFUQGCCWFVCQC-UHFFFAOYSA-N;133.11;0.04;;;;;DOPC;MDCG;27;0;"MARTINI bead: N0_P1";;;;;;;0.34;;-1.53;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM440424;MM440424;C#CCCC1CC1NN=C;YLJCYKJYWRNTCQ-UHFFFAOYSA-N;136.2;0.99;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNd_C5";;;;;;;1.64;;0.02;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM440425;MM440425;C=CC=C1C=NN(C=O)C1;WOBWYTOTHDLLRD-UHFFFAOYSA-N;136.15;0.56;;;;;DOPC;MDCG;27;0;"MARTINI bead: SN0_SP2";;;;;;;0.06;;-2.21;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM440426;MM440426;C#CC1NC1CC(=C)C#N;JZZZGLARZPBUQQ-UHFFFAOYSA-N;132.17;0.43;;;;;DOPC;MDCG;27;0;"MARTINI bead: N0_SP3";;;;;;;-0.8;;-2.99;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM440427;MM440427;CCON=CC#CC(C)=O;GVCQDOULZHRJCO-UHFFFAOYSA-N;139.15;0.6;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_Na";;;;;;;0.87;;-2.22;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM440428;MM440428;C#CC(C=C)=CCCCC;YQZPSGZDFVMMRK-UHFFFAOYSA-N;134.22;2.92;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1_C4";;;;;;;4.24;;0.42;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM440429;MM440429;C=CC(C#N)CC1OC1C;YLBAUFRCBPDZJV-UHFFFAOYSA-N;137.18;1.49;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNa_N0";;;;;;;1.17;;-1.18;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM440430;MM440430;C=NN=C(NCC)OCC;AWYNVQAPDMRWGV-UHFFFAOYSA-N;143.19;0.6;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_C5";;;;;;;0.81;;-0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM440431;MM440431;C#CCCC1CC1OC=C;PAFLPFUCFPIUTD-UHFFFAOYSA-N;136.19;1.95;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNa_C5";;;;;;;1.64;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM440432;MM440432;C#CCCCC(=NN)OC;KHQWWUNMNDHFTF-UHFFFAOYSA-N;140.19;0.71;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda_C5";;;;;;;1.64;;0.05;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM440433;MM440433;CC#CC(F)CON=CC;BSXGRYOYTGCPQM-UHFFFAOYSA-N;143.16;1.37;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_C5";;;;;;;1.64;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM440434;MM440434;C#CC(C=C)=CCCCN;ZMUPEOCIDXKPEN-UHFFFAOYSA-N;135.21;1.47;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_C4";;;;;;;2.2;;-2.21;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM440435;MM440435;O=c1onc(O)n1O;XKRFGRGUWUIVJB-UHFFFAOYSA-N;118.05;-1.22;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP1_SP2";;;;;;;-1.06;;-8.76;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM440436;MM440436;C#CCCC1NC1CC#N;LTOHJMZQZQDDBW-UHFFFAOYSA-N;134.18;0.65;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_SP2";;;;;;;0.54;;-1.09;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM440437;MM440437;CC1OC1CC(C#N)C=O;VDUDCXFSAMVBHU-UHFFFAOYSA-N;139.15;0.5;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNa_Na";;;;;;;0.87;;-2.22;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM440438;MM440438;C=NN(C=N)CCC(C)=O;LBRUNSJKCUSMPZ-UHFFFAOYSA-N;141.17;0.49;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_P2";;;;;;;-0.24;;-3.24;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM440439;MM440439;C=CC1=CCC(C=C)C1O;YBDJSFODLAEAMD-UHFFFAOYSA-N;136.19;1.67;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC3_SNda";;;;;;;2.57;;0.44;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM440440;MM440440;C=NNC=NCC(C)CC;BEWSTILNERTGCM-UHFFFAOYSA-N;141.22;1.27;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1_P1";;;;;;;2.08;;0.49;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM440441;MM440441;C=C(CC)OC(CF)=NN;VTODEANIOFUAAG-UHFFFAOYSA-N;146.17;1.17;;;;;DOPC;MDCG;27;0;"MARTINI bead: C3_P2";;;;;;;1.46;;-0.15;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM440442;MM440442;C#CC1OC1CC(=O)C=C;PJMTUWRTTYJIHV-UHFFFAOYSA-N;136.15;0.53;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_SNa";;;;;;;0.87;;-2.22;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM440443;MM440443;CC1OC1CC(C#N)C#N;VNENMQGPCUBTII-UHFFFAOYSA-N;136.15;0.83;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNa_P2";;;;;;;-0.24;;-3.24;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM440444;MM440444;CCN=CNN=C(C)C#N;GNYDZKADSGNLDR-UHFFFAOYSA-N;138.17;0.52;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_P2";;;;;;;0.54;;-1.09;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM440445;MM440445;N=CN1C=CC(=CC=O)N1;DUHDBXAULPJDRC-UHFFFAOYSA-N;137.14;0.01;;;;;DOPC;MDCG;27;1;"MARTINI bead: SP3_SP2";;;;;;;-2.2;;-6.74;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM440446;MM440446;C#CC(C=C)=CCCCF;IEMUWDKXRKXGDK-UHFFFAOYSA-N;138.19;2.48;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4_C4";;;;;;;3.53;;0.53;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM440447;MM440447;C#CC1CN1CC(=C)C=O;XTCORGWEWVFWPD-UHFFFAOYSA-N;135.17;0.06;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_SP1";;;;;;;0.04;;-2.54;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM440448;MM440448;C#CCC1CC1CCCC;KYTFWBMFJLXIKX-UHFFFAOYSA-N;136.24;2.84;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1_SC4";;;;;;;4.24;;0.42;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM440449;MM440449;C=CN(C=N)CC1OC1C;IMJCGBZITREDCE-UHFFFAOYSA-N;140.19;0.83;;;;;DOPC;MDCG;27;1;"MARTINI bead: SNa_P1";;;;;;;0.04;;-5.79;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM440450;MM440450;CC=NNC(C#N)C(F)F;YYCDTPOJUYTGRW-UHFFFAOYSA-N;147.13;0.74;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nd_N0";;;;;;;1.17;;-1.04;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM440451;MM440451;N#CC=C1C=CN(C=N)N1;YTSMXDRIQIFWCC-UHFFFAOYSA-N;134.14;0.33;;;;;DOPC;MDCG;27;1;"MARTINI bead: SP3_SP1";;;;;;;-1.93;;-6.24;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM440452;MM440452;C#CC1CN1CC(=C)C#N;CONMHXZUKNNVHN-UHFFFAOYSA-N;132.17;0.38;;;;;DOPC;MDCG;27;0;"MARTINI bead: N0_SP3";;;;;;;-0.8;;-2.99;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM440453;MM440453;C=CN(C=O)CC1OC1C;RTYASRCXQMJCGD-UHFFFAOYSA-N;141.17;0.38;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNa_P2";;;;;;;-0.24;;-3.24;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM440454;MM440454;C#CCC1CC1CCCO;ZPFNDEYJIUKOSA-UHFFFAOYSA-N;138.21;1.42;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda_SC4";;;;;;;2.2;;0.49;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM440455;MM440455;C#CC(C=O)=CCCCC;CTDACKVOSCOKLS-UHFFFAOYSA-N;136.19;1.94;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1_Na";;;;;;;2.91;;0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM440456;MM440456;O=CC=C1C=CN(C=O)N1;VDWMEEPLXADRLY-UHFFFAOYSA-N;138.13;-0.44;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP2_SP2";;;;;;;-1.34;;-4.31;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM440457;MM440457;C#CC1CN1NC(=N)C=C;IFTNYIUEMGBOII-UHFFFAOYSA-N;135.17;-0.03;;;;;DOPC;MDCG;27;1;"MARTINI bead: P2_SP3";;;;;;;-2.2;;-8.36;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM440458;MM440458;C=CC1OC=C(C=O)C1C;SIILPSYAKJBCOD-UHFFFAOYSA-N;138.17;1.29;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC5_SNa";;;;;;;1.64;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM440459;MM440459;C#CC(C#N)=CCCCC;RYLGPBQIKRPQJA-UHFFFAOYSA-N;133.19;2.26;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1_N0";;;;;;;3.21;;0.46;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM440460;MM440460;CC1OC1CN(C=N)C=N;NJXHJZRCTLKDLP-UHFFFAOYSA-N;141.17;0.29;;;;;DOPC;MDCG;27;1;"MARTINI bead: SNa_P2";;;;;;;-0.24;;-4.61;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM440461;MM440461;C#CCC1CC1COCC;PXMVCFURPJXPCX-UHFFFAOYSA-N;138.21;1.68;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_SC4";;;;;;;2.2;;0.34;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM440462;MM440462;N#CC=C1C=CN(C=O)N1;XSFILMHZLVVBNO-UHFFFAOYSA-N;135.13;-0.12;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP2_SP1";;;;;;;-1.06;;-3.82;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM440463;MM440463;C=CC1OC=C(C#N)C1C;DKNTXKRLUIOAHS-UHFFFAOYSA-N;135.17;1.61;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC5_SN0";;;;;;;1.94;;0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM440464;MM440464;C#CCCOC(CC)=NN;ZQQVGAIGVLVATD-UHFFFAOYSA-N;140.19;0.71;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_C5";;;;;;;0.81;;-0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM440465;MM440465;C#CC(C=O)N1CC1CC;LJXXEBOVJSPDLE-UHFFFAOYSA-N;137.18;0.28;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP1_P2";;;;;;;-1.06;;-3.82;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM440466;MM440466;CC1OC1CN(C=N)C=O;HFUDTMZMDJSIPI-UHFFFAOYSA-N;142.16;-0.16;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNa_P3";;;;;;;-1.1;;-4.2;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM440467;MM440467;C#CCC1CC1NCCN;NMGSHTZJVRTQHD-UHFFFAOYSA-N;138.21;-0.05;;;;;DOPC;MDCG;27;1;"MARTINI bead: P3_SC4";;;;;;;0.23;;-3.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM440468;MM440468;C=Cn1ccc(NC=N)n1;QBMVRUHCEUPOOT-UHFFFAOYSA-N;136.16;1;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNa_SP2";;;;;;;-0.24;;-3.24;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM440469;MM440469;C#CC(=O)NC1CC1C#C;KIIHFNQOPZJBIQ-UHFFFAOYSA-N;133.15;-0.24;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_SC5";;;;;;;0.54;;-1.09;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM440470;MM440470;C=CC1=COC(C=O)C1C;YLRULGLIJTWZEN-UHFFFAOYSA-N;138.17;1.29;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNa_SC4";;;;;;;2.2;;0.34;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM440471;MM440471;C#CC(C#N)=CCCCF;WEMVWHYZKRONJI-UHFFFAOYSA-N;137.16;1.82;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4_N0";;;;;;;2.5;;0.44;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM440472;MM440472;C#CCC1CC1NCCF;CSLPDZZVTHWLNZ-UHFFFAOYSA-N;141.19;0.96;;;;;DOPC;MDCG;27;1;"MARTINI bead: P2_SC4";;;;;;;1.09;;-1.64;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM440473;MM440473;CC1OC1CN(C=O)C=O;UDYJWUBOYOKHIR-UHFFFAOYSA-N;143.14;-0.61;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNa_P2";;;;;;;-0.24;;-3.24;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM440474;MM440474;N=CNc1ccn(C=O)n1;PWLSTSCYZIMKEU-UHFFFAOYSA-N;138.13;-0.06;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP2_SP1";;;;;;;-1.06;;-3.82;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM440475;MM440475;C#CC(=C)OC1CC1C#C;JGZBTPACNWEQQK-UHFFFAOYSA-N;132.16;1.17;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_SC5";;;;;;;1.64;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM440476;MM440476;C=CC1ON=C(C=O)C1C;SKCOJPIWRRMKJL-UHFFFAOYSA-N;139.15;0.76;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNa_SNa";;;;;;;0.87;;-2.22;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM440477;MM440477;C#CC(C=C)=CCCNC;VJPISWTWOOEJDD-UHFFFAOYSA-N;135.21;1.34;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1_C3";;;;;;;1.74;;-2.37;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM440478;MM440478;C#CCC1CC1OCCC;UGRLCKGHGWUTPI-UHFFFAOYSA-N;138.21;1.82;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_SC4";;;;;;;2.2;;0.34;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM440479;MM440479;C=NN(C=N)CC1OC1C;HMHZKKKRLMPFQV-UHFFFAOYSA-N;141.17;0.3;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNa_P2";;;;;;;-0.24;;-3.24;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM440480;MM440480;C=Nn1ccc(NC=N)n1;FAVLAAVRQFMCSO-UHFFFAOYSA-N;137.15;0.37;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP1_SP2";;;;;;;-1.06;;-3.82;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM440481;MM440481;C#CC(=C)CN1CC1C#C;JOJMEPLQFRDPOI-UHFFFAOYSA-N;131.18;0.49;;;;;DOPC;MDCG;27;0;"MARTINI bead: N0_SP1";;;;;;;0.34;;-1.53;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM440482;MM440482;C=CC1ON=C(C#N)C1C;YNTNMFAVVZLMBZ-UHFFFAOYSA-N;136.15;1.09;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNa_SP1";;;;;;;0.04;;-2.54;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM440483;MM440483;C#CC(C=O)=CCCNC;UPPRABWOKXTOSD-UHFFFAOYSA-N;137.18;0.35;;;;;DOPC;MDCG;27;1;"MARTINI bead: C5_P2";;;;;;;0.54;;-4.02;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM440484;MM440484;C#CCC1CC1OCCN;HBPQGLFKZYMRGK-UHFFFAOYSA-N;139.2;0.37;;;;;DOPC;MDCG;27;1;"MARTINI bead: P2_SC4";;;;;;;1.09;;-2.38;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM440485;MM440485;C=NN(C=O)CC1OC1C;YFDAYQIJIQPSNC-UHFFFAOYSA-N;142.16;-0.15;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNa_P2";;;;;;;-0.24;;-3.24;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM440486;MM440486;CC=C(C)CC1CC1CC;ORIVZHGLQVLVGO-UHFFFAOYSA-N;138.25;3.39;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC3_C1";;;;;;;4.61;;0.31;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM440487;MM440487;C=Cn1ncc(NC=N)n1;LFNVHAKIWJARPD-UHFFFAOYSA-N;137.15;0.4;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNa_SP2";;;;;;;-0.24;;-3.24;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM440488;MM440488;N#CC(=NOC=O)C(=N)N;MFROXVCQRBJRRC-UHFFFAOYSA-N;140.1;-1.03;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_P1";;;;;;;-1.06;;-3.82;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM440489;MM440489;C#CC(C=C)=CCCOC;YPFZXGABRLNFRY-UHFFFAOYSA-N;136.19;1.77;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_C4";;;;;;;2.2;;0.34;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM440490;MM440490;C#CCC1OC1CCCN;NHBKIAWHRDURGD-UHFFFAOYSA-N;139.2;0.52;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_SNa";;;;;;;0.87;;-4.67;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM440491;MM440491;C=CC(C#CC=NN)CF;DOGKDIFWTHSLRM-UHFFFAOYSA-N;140.16;0.71;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_C5";;;;;;;0.81;;-0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM440492;MM440492;CCC1CC1CC(C)=CF;QTCZKUXASXDPPU-UHFFFAOYSA-N;142.22;3.3;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC3_C4";;;;;;;3.9;;0.47;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM440493;MM440493;NN=C(CF)OC(=O)CF;YXBUYROMGMXMSD-UHFFFAOYSA-N;152.1;-0.26;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_P1";;;;;;;0.04;;-2.54;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM440494;MM440494;CC1C(C#N)=NOC1C#N;AEYSWVHCOXVBBT-UHFFFAOYSA-N;135.13;0.42;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP1_SP1";;;;;;;-0.79;;-3.13;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM440495;MM440495;C#CCC1OC1CCNC;YKZRWXYBYHEBBE-UHFFFAOYSA-N;139.2;0.39;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_SNa";;;;;;;0.87;;-4.77;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM440496;MM440496;C#CC(C#N)=CCCOC;VTPVJDDPLJLJJW-UHFFFAOYSA-N;135.17;1.11;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_N0";;;;;;;1.17;;-1.18;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM440497;MM440497;C=CC(C#N)CC1CN1C;PRCFZWJOVCGKRZ-UHFFFAOYSA-N;136.2;1.02;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP1_C5";;;;;;;0.81;;-0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM440498;MM440498;CC=C(F)CC1CC1CC;NNTAKQNDITXOGY-UHFFFAOYSA-N;142.22;3.3;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC3_C3";;;;;;;4.27;;0.2;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM440499;MM440499;C#CC(C=C)=CCNCC;ASLITILKIRVHDR-UHFFFAOYSA-N;135.21;1.34;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_C4";;;;;;;2.2;;-1.75;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM440500;MM440500;CC=C(C)OC(CF)=NN;URXIRQYVVQTVRK-UHFFFAOYSA-N;146.17;1.17;;;;;DOPC;MDCG;27;0;"MARTINI bead: C2_P2";;;;;;;1.72;;0.27;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM440501;MM440501;C=CC1=NCC(C=C)N1C;BJHIWWUOBXIUMS-UHFFFAOYSA-N;136.2;1.07;;;;;DOPC;MDCG;27;1;"MARTINI bead: SP1_SNd";;;;;;;0.04;;-4.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM440502;MM440502;C#CCC1OC1CCOC;KRHZBVOQZJRILX-UHFFFAOYSA-N;140.18;0.81;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_SNa";;;;;;;0.87;;-2.22;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM440503;MM440503;CN1CC1CC(C=O)C=O;ILYJMPACSSAPMJ-UHFFFAOYSA-N;141.17;-0.3;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNd_Na";;;;;;;0.87;;-1.88;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM440504;MM440504;C#CC=C1C=CC(C=C)C1;OSCNRXZTRONZDY-UHFFFAOYSA-N;130.19;2.31;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC4_SC4";;;;;;;3.53;;0.53;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM440505;MM440505;CCC1CC1CC(C)=NN;PJKAKFCWLGOLAE-UHFFFAOYSA-N;140.23;1.76;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC3_Nd";;;;;;;2.57;;0.53;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM440506;MM440506;C#CCC1OC1COCC;SVPAVVZJOHSKBX-UHFFFAOYSA-N;140.18;0.81;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_SNa";;;;;;;0.87;;-2.22;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM440507;MM440507;C#CC(C=C)=CCOCC;AELJWEYYQMTTRA-UHFFFAOYSA-N;136.19;1.77;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_C4";;;;;;;2.2;;0.34;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM440508;MM440508;C=CC1CN=C(C#N)N1C;QDHVKUMCJANROZ-UHFFFAOYSA-N;135.17;0.41;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP1_SP1";;;;;;;-0.79;;-3.13;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM440509;MM440509;CCCON=C(C#N)CF;WJMLTMDMGHJZJH-UHFFFAOYSA-N;144.15;1.26;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_Na";;;;;;;0.87;;-2.22;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM440510;MM440510;C#CC=C1C=CC(C=O)C1;KHQDIHMLIRXSNU-UHFFFAOYSA-N;132.16;1.32;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNa_SC4";;;;;;;2.2;;0.34;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM440511;MM440511;C#CCC1CN1CCCN;KFNOWTHOBDNBGA-UHFFFAOYSA-N;138.21;0.04;;;;;DOPC;MDCG;27;1;"MARTINI bead: P3_SP1";;;;;;;-1.93;;-7.13;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM440512;MM440512;CCC1CC1CC(C)=NO;ANKSYDRRUMHFEZ-UHFFFAOYSA-N;141.21;2.27;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC3_Nda";;;;;;;2.57;;0.44;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM440513;MM440513;C=CC12CC3(O)CC1C2C3;JHYBIHAKQSNABK-UHFFFAOYSA-N;136.19;1.33;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNda_SC4";;;;;;;2.2;;0.49;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM440514;MM440514;C#CC(C=O)=CCOCC;KKJHRDSHZRFMPI-UHFFFAOYSA-N;138.17;0.78;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_Na";;;;;;;0.87;;-2.22;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM440515;MM440515;CN1CC1CC(C#N)C#N;YYUNYRDODKWGLU-UHFFFAOYSA-N;135.17;0.35;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP1_P1";;;;;;;-0.79;;-3.13;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM440516;MM440516;C#CC=C1C=CC(C#N)C1;SFKRJQZMWRSHET-UHFFFAOYSA-N;129.16;1.65;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC4_SN0";;;;;;;2.5;;0.44;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM440517;MM440517;C#CCC1CN1CCCF;OMLWOYYWHYCJTG-UHFFFAOYSA-N;141.19;1.05;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4_SP1";;;;;;;1.37;;-0.05;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM440518;MM440518;CCC1CC1OC(C)=CF;LKBNYAUPDPUTGV-UHFFFAOYSA-N;144.19;2.63;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC3_Na";;;;;;;2.57;;0.45;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM440519;MM440519;C=CC1=CCN(C=N)C1C;FHTDEFVQKUFBHL-UHFFFAOYSA-N;136.2;1.41;;;;;DOPC;MDCG;27;1;"MARTINI bead: SNd_SP1";;;;;;;0.04;;-5.53;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM440520;MM440520;C#CC(C#N)=CCOCC;RINZJHCPJJOANU-UHFFFAOYSA-N;135.17;1.11;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_N0";;;;;;;1.17;;-1.18;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM440521;MM440521;C=CN(C=N)CC1CN1C;UIWCIUKXEHUTOK-UHFFFAOYSA-N;139.2;0.35;;;;;DOPC;MDCG;27;1;"MARTINI bead: SP1_P1";;;;;;;-0.79;;-6.68;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM440522;MM440522;C#CC=C1C=CC(C=C)O1;NLZMPFRUVNGBJB-UHFFFAOYSA-N;132.16;1.64;;;;;DOPC;MDCG;27;0;"MARTINI bead: SN0_SN0";;;;;;;1.47;;-0.05;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM440523;MM440523;C#CCC1CC1CCC=C;IGOWARIIRHNAHY-UHFFFAOYSA-N;134.22;2.61;;;;;DOPC;MDCG;27;0;"MARTINI bead: C3_SC4";;;;;;;3.9;;0.47;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM440524;MM440524;C#CC(C=O)=CNCCC;IATIBSKFMJHUSE-UHFFFAOYSA-N;137.18;0.7;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nd_Na";;;;;;;0.87;;-1.88;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM440525;MM440525;CC=C(C)CC1NC1CN;FXWLPQQYBYMKBT-UHFFFAOYSA-N;140.23;0.64;;;;;DOPC;MDCG;27;1;"MARTINI bead: C1_SP2";;;;;;;1.8;;-0.85;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM440526;MM440526;CC1C(C=O)=CCN1C=N;MWZLXFSWJWZOAH-UHFFFAOYSA-N;138.17;0.42;;;;;DOPC;MDCG;27;1;"MARTINI bead: SNd_SP1";;;;;;;0.04;;-5.47;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM440527;MM440527;C=CN(C=O)CC1CN1C;RNVLZNCBVSGXAF-UHFFFAOYSA-N;140.19;-0.1;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP1_P2";;;;;;;-1.06;;-3.82;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM440528;MM440528;C#CC=C1C=CC(C=O)O1;VFNJUCZDEWFGAS-UHFFFAOYSA-N;134.13;0.66;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP1_SN0";;;;;;;0.34;;-1.53;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM440529;MM440529;C#CCC1CC1CCC=O;OCSQMPFCXUCPTC-UHFFFAOYSA-N;136.19;1.62;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_SC4";;;;;;;2.2;;0.34;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM440530;MM440530;CC=C(C)CC1OC1CC;DVRLPYQNELKFGO-UHFFFAOYSA-N;140.23;2.52;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNa_C1";;;;;;;2.91;;0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM440531;MM440531;C=CC1=CCN(C=O)C1C;AGFOKKQICFLJJP-UHFFFAOYSA-N;137.18;0.96;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNda_SP1";;;;;;;0.04;;-2.73;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM440532;MM440532;C#CC(C#N)=CNCCC;RYAPVIINTFXNFM-UHFFFAOYSA-N;134.18;1.03;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nd_N0";;;;;;;1.17;;-1.04;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM440533;MM440533;CN1CC1CN(C=N)C=N;LYDKOEAVXDLUTH-UHFFFAOYSA-N;140.19;-0.18;;;;;DOPC;MDCG;27;1;"MARTINI bead: SP1_P2";;;;;;;-1.06;;-5.48;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM440534;MM440534;C#CC=C1C=CC(C#N)O1;ZDRXYIKDHZKYNB-UHFFFAOYSA-N;131.13;0.98;;;;;DOPC;MDCG;27;0;"MARTINI bead: SN0_SN0";;;;;;;1.47;;-0.04;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM440535;MM440535;C#CCC1CC1CCC#N;KSZSAYABMOPYSU-UHFFFAOYSA-N;133.19;1.95;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC4_P1";;;;;;;1.37;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM440536;MM440536;CCC1OC1CC(C)=NO;AVPMQCPDRSZREQ-UHFFFAOYSA-N;143.19;1.4;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNa_Nda";;;;;;;0.87;;-1.99;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM440537;MM440537;C#CC(C=O)=CNCCO;PPPIVTCRIVSWRJ-UHFFFAOYSA-N;139.15;-0.72;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_Na";;;;;;;-0.24;;-3.24;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM440538;MM440538;CC1C(C=O)=CCN1C=O;QYNBDHCAJBFOLI-UHFFFAOYSA-N;139.15;-0.03;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNda_SP1";;;;;;;0.04;;-2.73;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM440539;MM440539;CN1CC1CN(C=N)C=O;WCMQLPJRIITBGU-UHFFFAOYSA-N;141.17;-0.63;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP1_P3";;;;;;;-1.93;;-4.72;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM440540;MM440540;C#CC=C1C=CN(C=N)C1;GVVVZVLTUINPOY-UHFFFAOYSA-N;132.17;0.98;;;;;DOPC;MDCG;27;1;"MARTINI bead: SP1_SN0";;;;;;;0.34;;-4.34;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM440541;MM440541;C#CCC1CC1NCC=C;OWLRULGIHXZTDV-UHFFFAOYSA-N;135.21;1.17;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_SC4";;;;;;;2.2;;-1.6;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM440542;MM440542;C=CC1CC1CC(C)=CF;DIIJHTLMEZHROB-UHFFFAOYSA-N;140.2;3.07;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4_SC4";;;;;;;3.53;;0.53;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM440543;MM440543;C#CC(C=C)=COCCC;JOVCLIWNBIWPQY-UHFFFAOYSA-N;136.19;2.12;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_C4";;;;;;;2.2;;0.34;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM440544;MM440544;CC1C(C#N)=CCN1C=O;FQFXUXFGJJFBMS-UHFFFAOYSA-N;136.15;0.3;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNda_SP1";;;;;;;0.04;;-2.73;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM440545;MM440545;C=NN(C=N)CC1CN1C;RSZRTPKTBFIBRA-UHFFFAOYSA-N;140.19;-0.17;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP1_P2";;;;;;;-1.06;;-3.82;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM440546;MM440546;C#CC=C1C=CN(C=O)C1;XQGYPMDWBTYWEB-UHFFFAOYSA-N;133.15;0.53;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP1_SN0";;;;;;;0.34;;-1.53;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM440547;MM440547;CC(=CF)CC1CC1C#N;XLCIYMZGYLQAHN-UHFFFAOYSA-N;139.17;2.41;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4_SN0";;;;;;;2.5;;0.44;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM440548;MM440548;C#CCC1CC1NCC#N;SJAJTTGMAGSNLC-UHFFFAOYSA-N;134.18;0.51;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC4_P2";;;;;;;1.09;;-0.37;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM440549;MM440549;C#CC(C=C)=COCCO;GNSCQOJQGBYYKH-UHFFFAOYSA-N;138.17;0.7;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_C5";;;;;;;0.54;;-1.09;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM440550;MM440550;C=CC1=CCN(N=C)C1C;WAMXTVTZWLHOAL-UHFFFAOYSA-N;136.2;1.42;;;;;DOPC;MDCG;27;0;"MARTINI bead: SN0_SP1";;;;;;;0.34;;-1.53;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM440551;MM440551;C=NN(C=O)CC1CN1C;XEMLXHVURFZVJX-UHFFFAOYSA-N;141.17;-0.63;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP1_P2";;;;;;;-1.06;;-3.82;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM440552;MM440552;C#CC=C1C=NN(C=N)C1;VMUMRZBNCACAIP-UHFFFAOYSA-N;133.15;0.45;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP2_SP1";;;;;;;-1.06;;-3.82;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM440553;MM440553;C#CCC1CC1OCC=C;MQZIWRWCDDEHRE-UHFFFAOYSA-N;136.19;1.6;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_SC4";;;;;;;2.2;;0.34;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM440554;MM440554;N#CC1CC1CC(F)=CF;FDRJJDIHZJLQQX-UHFFFAOYSA-N;143.14;2.32;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_SN0";;;;;;;1.94;;0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM440555;MM440555;C=NN1CC=C(C=O)C1C;FTERBTVWNZDZCE-UHFFFAOYSA-N;138.17;0.43;;;;;DOPC;MDCG;27;0;"MARTINI bead: SN0_SP1";;;;;;;0.34;;-1.53;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM440556;MM440556;C#CC(C=C)=COCCF;NFKDDVLOEMTUTI-UHFFFAOYSA-N;140.16;1.68;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_C4";;;;;;;1.09;;-0.38;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM440557;MM440557;CC=NNC=C(C#N)CC;MCEBKIUPQSPEFH-UHFFFAOYSA-N;137.19;1.4;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_Nd";;;;;;;1.64;;0.02;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM440558;MM440558;C#CC=C1C=NN(C=O)C1;CXYOIASIHWNYJS-UHFFFAOYSA-N;134.14;;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP2_SP1";;;;;;;-1.06;;-3.82;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM440559;MM440559;C#CCC1OC1CCC=C;YBMPMIOBUYOLAN-UHFFFAOYSA-N;136.19;1.74;;;;;DOPC;MDCG;27;0;"MARTINI bead: C3_SNa";;;;;;;2.57;;0.45;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM440560;MM440560;C=CC1CC1CC(C)=NO;GDXVSVZKAHVVKM-UHFFFAOYSA-N;139.2;2.05;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda_SC4";;;;;;;2.2;;0.49;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM440561;MM440561;CC1C(C=O)=CNN1C=N;QIKPXYAJMDTQPP-UHFFFAOYSA-N;139.16;-0.12;;;;;DOPC;MDCG;27;1;"MARTINI bead: SP2_SP3";;;;;;;-2.2;;-6.24;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM440562;MM440562;C#CC(C=O)=COCCC;ITIVPVTUGZKUCN-UHFFFAOYSA-N;138.17;1.13;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_Na";;;;;;;0.87;;-2.22;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM440563;MM440563;C=CC(C#N)CN1CC1C;NNSVRBVRIDADAY-UHFFFAOYSA-N;136.2;1.02;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNd_N0";;;;;;;1.17;;-1.04;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM440564;MM440564;C#CC1C=CC(=CCC)C1;BDGMUNJUBMCTAE-UHFFFAOYSA-N;132.21;2.53;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC2_SC5";;;;;;;3.6;;0.34;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM440565;MM440565;C#CCC1OC1CNC=N;IWVNZRFQSXPZTF-UHFFFAOYSA-N;138.17;-0.03;;;;;DOPC;MDCG;27;1;"MARTINI bead: P3_SNa";;;;;;;-1.1;;-7.81;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM440566;MM440566;CC(CC1CC1C#N)=NO;MLWDSKVTYLXZIB-UHFFFAOYSA-N;138.17;1.39;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda_SN0";;;;;;;1.17;;-1.13;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM440567;MM440567;CC1C(C=O)=CNN1C=O;FEUAUURIWUREGR-UHFFFAOYSA-N;140.14;-0.57;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP2_SP3";;;;;;;-2.2;;-5.19;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM440568;MM440568;C#CC(C#N)=COCCC;RTNFUMHGFCPXAU-UHFFFAOYSA-N;135.17;1.45;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_N0";;;;;;;1.17;;-1.18;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM440569;MM440569;CC1CN1CC(C=O)C=O;DHFUWTIQRRQUFO-UHFFFAOYSA-N;141.17;-0.3;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNd_Na";;;;;;;0.87;;-1.88;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM440570;MM440570;C#CC1C=CC(=CCN)C1;VECKAZHPFUQZDE-UHFFFAOYSA-N;133.19;1.08;;;;;DOPC;MDCG;27;1;"MARTINI bead: SNd_SC5";;;;;;;1.64;;-2.13;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM440571;MM440571;CC(=CF)CC1NC1C#N;PLWXVLAJTPNDGQ-UHFFFAOYSA-N;140.16;1.11;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4_SP2";;;;;;;1.09;;-0.38;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM440572;MM440572;C#CCN1CC1CCC#N;MYHLGMCSPIJAJG-UHFFFAOYSA-N;134.18;0.61;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNd_P1";;;;;;;0.04;;-2.63;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM440573;MM440573;C#CC(C=O)=COCCO;GAEIMPOWCQODPW-UHFFFAOYSA-N;140.14;-0.29;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_Na";;;;;;;-0.24;;-3.24;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM440574;MM440574;C#CC1=CCC(C=C)C1C;JQHPTEHTOFIDGR-UHFFFAOYSA-N;132.21;2.39;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC3_SC4";;;;;;;3.9;;0.47;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM440575;MM440575;C=NN(C=O)C(C)=NNC;LEBLUOQPKPGRFX-UHFFFAOYSA-N;142.16;-0.39;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nd_P2";;;;;;;-0.24;;-3.16;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM440576;MM440576;C#CC1C=CC(=CCO)C1;RFXYQMGWRKBATB-UHFFFAOYSA-N;134.18;1.11;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNda_SC5";;;;;;;1.64;;0.05;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM440577;MM440577;CC=C(F)CC1NC1C#N;WXHUIHGHSVFVIS-UHFFFAOYSA-N;140.16;1.11;;;;;DOPC;MDCG;27;0;"MARTINI bead: C3_SP2";;;;;;;1.46;;-0.15;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM440578;MM440578;C#CCC1CN1CCC#N;GIEGPRCOCPWLBU-UHFFFAOYSA-N;134.18;0.61;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP1_P2";;;;;;;-1.06;;-3.82;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM440579;MM440579;C#CC1=CCC(C#N)C1C;MHOOZSPZTJMWFF-UHFFFAOYSA-N;131.18;1.73;;;;;DOPC;MDCG;27;0;"MARTINI bead: SN0_SC4";;;;;;;2.5;;0.44;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM440580;MM440580;C#CC(C#N)=COCCO;HZJNKLQCVWONMF-UHFFFAOYSA-N;137.14;0.04;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_Na";;;;;;;0.04;;-2.54;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM440581;MM440581;CC1CN1CC(C#N)C#N;FVCXVDTZMPRVTK-UHFFFAOYSA-N;135.17;0.35;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNd_P2";;;;;;;-0.24;;-3.16;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM440582;MM440582;CC(CC1NC1C#N)=NO;SDJPBJSTKCTJSP-UHFFFAOYSA-N;139.16;0.09;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda_SP2";;;;;;;-0.24;;-3.31;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM440583;MM440583;C#CC1C=CC(=NCC)N1;RJSDDUHSOGLIQD-UHFFFAOYSA-N;134.18;0.57;;;;;DOPC;MDCG;27;1;"MARTINI bead: SNd_SP1";;;;;;;0.04;;-3.83;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM440584;MM440584;C#CCCC1CC1CC#C;LZPCGZMRTRGARB-UHFFFAOYSA-N;132.21;2.06;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_SC4";;;;;;;2.97;;0.45;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM440585;MM440585;C#CC(C=C)=COCOC;USGYNTJSRKJNIK-UHFFFAOYSA-N;138.17;1.31;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_C4";;;;;;;1.09;;-0.38;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM440586;MM440586;C#CC1=CCC(C=C)C1N;JWAYVKBXYXOYPM-UHFFFAOYSA-N;133.19;1.08;;;;;DOPC;MDCG;27;1;"MARTINI bead: SC3_SNd";;;;;;;2.57;;-0.78;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM440587;MM440587;C#CC(C=C)CC1CC1C;KUCAPJJEAZRLNH-UHFFFAOYSA-N;134.22;2.47;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC5_C4";;;;;;;2.97;;0.45;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM440588;MM440588;CC=C(C)CC1CN1C=N;HIRBPUSCUWSNDB-UHFFFAOYSA-N;138.21;1.63;;;;;DOPC;MDCG;27;1;"MARTINI bead: C1_SP2";;;;;;;1.8;;-2.04;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM440590;MM440590;C#CC(C#N)=COCOC;FQMJGUSPVUWLMD-UHFFFAOYSA-N;137.14;0.65;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_N0";;;;;;;0.34;;-1.53;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM440589;MM440589;C#CC1C=CC(=CCC)O1;VWVFCSJKHZUOSK-UHFFFAOYSA-N;134.18;1.87;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC5_SN0";;;;;;;1.94;;0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM440591;MM440591;C#CCNC1CC1CC#C;QEGAXOBMSOWIRV-UHFFFAOYSA-N;133.19;0.62;;;;;DOPC;MDCG;27;1;"MARTINI bead: P2_SC4";;;;;;;1.09;;-1.96;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM440592;MM440592;C=NNC=NC(C#N)=CC;LBCXWLYDYDFNPQ-UHFFFAOYSA-N;136.16;0.65;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_P1";;;;;;;0.81;;-0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM440593;MM440593;C=NN1CC1CC(C)=CC;HWFUEEZDZSQIGH-UHFFFAOYSA-N;138.21;1.64;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1_SP2";;;;;;;1.8;;0.4;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM440595;MM440595;C#CC(C=C)=NNCCC;JCZYTWDZMHZORY-UHFFFAOYSA-N;136.2;1.16;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nd_N0";;;;;;;1.17;;-1.04;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM440594;MM440594;C#CC(C=O)CC1CC1C;WLKCSAGUFZMAOT-UHFFFAOYSA-N;136.19;1.48;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC5_Na";;;;;;;1.64;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM440596;MM440596;C#CC1=COC(C=O)C1C;BWCSGZYUAFAEQH-UHFFFAOYSA-N;136.15;0.74;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNa_SN0";;;;;;;1.17;;-1.18;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM440597;MM440597;C#CCOC1CC1CC#C;WWNOESGDYCRACE-UHFFFAOYSA-N;134.18;1.05;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_SC4";;;;;;;2.2;;0.34;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM440598;MM440598;C#CC1C=CC(=CCN)O1;OGICUQPZPTYIQT-UHFFFAOYSA-N;135.17;0.42;;;;;DOPC;MDCG;27;1;"MARTINI bead: SNda_SN0";;;;;;;1.17;;-3.3;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM440599;MM440599;C#CC(C=C)=NNCCN;GMJQUJVNQXOPIK-UHFFFAOYSA-N;137.19;-0.29;;;;;DOPC;MDCG;27;1;"MARTINI bead: P4_C5";;;;;;;-0.41;;-4.36;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM440600;MM440600;C#CC(C#N)CC1CC1C;HWWDEHDRSMSVMZ-UHFFFAOYSA-N;133.19;1.81;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC5_N0";;;;;;;1.94;;0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM440601;MM440601;C=NN1CC1CC(F)=CC;PADBVTFBBABGGC-UHFFFAOYSA-N;142.18;1.55;;;;;DOPC;MDCG;27;0;"MARTINI bead: C3_SP2";;;;;;;1.46;;-0.15;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM440602;MM440602;C#CC1=COC(C#N)C1C;AYOQOGMHVUTTHM-UHFFFAOYSA-N;133.15;1.06;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNa_SN0";;;;;;;1.17;;-1.18;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM440603;MM440603;C#CC1C=CC(=CC=C)C1;DTDULDPYDQVIDN-UHFFFAOYSA-N;130.19;2.31;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC4_SC5";;;;;;;2.97;;0.45;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM440604;MM440604;CC=CCC1CC1CCC;USVHRAOHRNLGQX-UHFFFAOYSA-N;138.25;3.39;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC2_C2";;;;;;;4.78;;0.59;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM440605;MM440605;CC#CC(C)C1NC1C=O;IYWPOUVDZCTYHZ-UHFFFAOYSA-N;137.18;0.19;;;;;DOPC;MDCG;27;0;"MARTINI bead: C3_SP2";;;;;;;1.46;;-0.15;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM440606;MM440606;C=NN1CC1CC(C)=NN;ZCNCUBBQEWAIME-UHFFFAOYSA-N;140.19;0.01;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nd_SP2";;;;;;;-0.24;;-3.16;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM440607;MM440607;COC(C=O)C=NOC=O;BUQAUEUBSCLFHL-UHFFFAOYSA-N;145.11;-0.64;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_P2";;;;;;;-0.24;;-3.24;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM440608;MM440608;C#CC(C=C)CC1CC1N;DCVNLTDWKNYVOT-UHFFFAOYSA-N;135.21;1.16;;;;;DOPC;MDCG;27;1;"MARTINI bead: SP1_C4";;;;;;;1.37;;-2.58;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM440609;MM440609;C#CC1C=CC(=CC=O)C1;PPPRSNHTZBWJND-UHFFFAOYSA-N;132.16;1.32;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNa_SC5";;;;;;;1.64;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM440610;MM440610;CC=CCC1CC1CCN;XTLHUPIRCDSDDE-UHFFFAOYSA-N;139.24;1.94;;;;;DOPC;MDCG;27;1;"MARTINI bead: C2_SNd";;;;;;;2.83;;-0.74;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM440611;MM440611;C=CC1CN1CC(F)=CC;PWDRQBTZUZOFRS-UHFFFAOYSA-N;141.19;1.73;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4_SNd";;;;;;;2.2;;0.32;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM440612;MM440612;C#CC(C=C)=NOCCC;PIMQSUCKUHITCS-UHFFFAOYSA-N;137.18;1.59;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_N0";;;;;;;1.17;;-1.18;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM440613;MM440613;C=C1CCCC1(CC)CO;WAZMXXRCGZASSO-UHFFFAOYSA-N;140.23;2.12;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC4_SC4";;;;;;;3.53;;0.53;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM440614;MM440614;C#CC1=CCN(C=N)C1C;ROGZVBCZGNDSIQ-UHFFFAOYSA-N;134.18;0.86;;;;;DOPC;MDCG;27;1;"MARTINI bead: SNd_SP1";;;;;;;0.04;;-5.34;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM440615;MM440615;C#CC1C=CC(=CC#N)C1;VPHXTCRBDZNNIC-UHFFFAOYSA-N;129.16;1.65;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC5_SC5";;;;;;;2.41;;0.64;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM440616;MM440616;CC=CCC1CC1CNC;DEESPTQMEGJTAB-UHFFFAOYSA-N;139.24;1.81;;;;;DOPC;MDCG;27;1;"MARTINI bead: SNd_C2";;;;;;;2.83;;-1.08;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM440617;MM440617;C#CC1CC1CC(C)=CC;DQLATNUNDQMBGC-UHFFFAOYSA-N;134.22;2.61;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1_SC5";;;;;;;3.68;;0.46;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM440618;MM440618;C#CC(C=C)=NOCOC;WCTMJTQETOYBME-UHFFFAOYSA-N;139.15;0.78;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_C5";;;;;;;0.54;;-1.09;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM440619;MM440619;CC(F)=COC(CF)=NN;OBESSLJJVVXLMC-UHFFFAOYSA-N;150.13;1.08;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_P2";;;;;;;0.54;;-1.09;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM440620;MM440620;NN=c1ncc(=O)cco1;NFUUYMYDLJSKRS-UHFFFAOYSA-N;139.11;-1.19;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP2_SP1";;;;;;;-1.06;;-3.82;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM440621;MM440621;C#CC1=CCN(C=O)C1C;ZXGRHWSBKXZZOI-UHFFFAOYSA-N;135.17;0.41;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNda_SP1";;;;;;;0.04;;-2.73;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM440622;MM440622;CCCC1CC1N=CNN;RMUMBHORZVCFJC-UHFFFAOYSA-N;141.22;0.67;;;;;DOPC;MDCG;27;1;"MARTINI bead: SC2_P3";;;;;;;0.86;;-1.89;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM440623;MM440623;C#CC1CC1CC(F)=CC;DUHUISBAFIMIQT-UHFFFAOYSA-N;138.19;2.52;;;;;DOPC;MDCG;27;0;"MARTINI bead: C3_SC5";;;;;;;3.34;;0.48;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM440624;MM440624;C#CC1C=CC(NC=N)=N1;ZHFDWYGASAHDBF-UHFFFAOYSA-N;133.15;0.15;;;;;DOPC;MDCG;27;1;"MARTINI bead: SP1_SN0";;;;;;;0.34;;-2.97;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM440625;MM440625;C#CC(C=O)=NOCOC;MVUIVHIZGQNJOC-UHFFFAOYSA-N;141.13;-0.21;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_Na";;;;;;;-0.24;;-3.24;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM440626;MM440626;C#CC(C#N)CC1CC1O;GHIWFGKOGWERJN-UHFFFAOYSA-N;135.17;0.53;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP1_N0";;;;;;;0.34;;-1.53;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM440627;MM440627;NCCC1CC1N=CNO;VGXBFULLKPHSOH-UHFFFAOYSA-N;143.19;-0.27;;;;;DOPC;MDCG;27;1;"MARTINI bead: SNd_P2";;;;;;;-0.24;;-5.64;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM440628;MM440628;C#CC1=CCN(N=C)C1C;SSJJCUHFVIQASI-UHFFFAOYSA-N;134.18;0.87;;;;;DOPC;MDCG;27;0;"MARTINI bead: SN0_SP1";;;;;;;0.34;;-1.53;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM440629;MM440629;C#CC1CC1CC(F)=CF;JQIJCXDXPHUHRM-UHFFFAOYSA-N;142.15;2.43;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_SC5";;;;;;;2.41;;0.64;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM440630;MM440630;NN=C(CF)OC=C(F)F;MXDHBIVKLPITDD-UHFFFAOYSA-N;154.09;0.98;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_C4";;;;;;;1.09;;-0.38;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM440631;MM440631;C#CC(C#N)=NOCOC;JHORKFIJHZMAJL-UHFFFAOYSA-N;138.13;0.12;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_Na";;;;;;;0.04;;-2.54;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM440632;MM440632;C#CC(C=C)CC1CC1F;MVHNWQNRRQTNNW-UHFFFAOYSA-N;138.19;2.17;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNa_C5";;;;;;;1.64;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM440633;MM440633;CC=NNC1CC1CCN;OAVJBDVGXKLMHI-UHFFFAOYSA-N;141.22;0.32;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_SNd";;;;;;;0.87;;-4.91;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM440634;MM440634;C#CC1CC=C(CC)C1C;IHSKLQKRCSRTJH-UHFFFAOYSA-N;134.22;2.61;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC1_SC5";;;;;;;3.68;;0.46;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM440635;MM440635;C#CC1CC1CC(C)=NO;RHPDRWMHRZDSTF-UHFFFAOYSA-N;137.18;1.5;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda_SC5";;;;;;;1.64;;0.05;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM440636;MM440636;C#CC(C=C)=CCCC=C;MPXBPSZGJVMCAV-UHFFFAOYSA-N;132.21;2.7;;;;;DOPC;MDCG;27;0;"MARTINI bead: C3_C4";;;;;;;3.9;;0.47;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM440637;MM440637;C#CC1C=CC(=CC=C)O1;JWCQVYMCBBRCSQ-UHFFFAOYSA-N;132.16;1.64;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC5_SN0";;;;;;;1.94;;0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM440638;MM440638;CCNC1CC1N=CNN;QWCWJAQESKSPGS-UHFFFAOYSA-N;142.21;-0.77;;;;;DOPC;MDCG;27;1;"MARTINI bead: SNd_P3";;;;;;;-1.1;;-5.51;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM440639;MM440639;C#CC(C=O)CC1CC1F;RHHBWTNKEUCYJR-UHFFFAOYSA-N;140.16;1.18;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNa_Na";;;;;;;0.87;;-2.22;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM440640;MM440640;C#CC1CC=C(CN)C1C;LRNMTXOSRIIOII-UHFFFAOYSA-N;135.21;1.16;;;;;DOPC;MDCG;27;1;"MARTINI bead: SC5_SC4";;;;;;;2.97;;0.37;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM440641;MM440641;C=CC(=NN)OCCOC;DRMKDSFUCSJFBO-UHFFFAOYSA-N;144.17;0.11;;;;;DOPC;MDCG;27;0;"MARTINI bead: N0_P1";;;;;;;0.34;;-1.53;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM440642;MM440642;C#CC=C1C=CC(C#C)C1;ABSVPRWXKQFVGA-UHFFFAOYSA-N;128.17;1.76;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC4_SC5";;;;;;;2.97;;0.45;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM440643;MM440643;C#CC(C=C)=CCCC=O;YWABNRIDXUZATG-UHFFFAOYSA-N;134.18;1.71;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4_Na";;;;;;;2.2;;0.34;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM440644;MM440644;C#CC(C#N)CC1CC1F;MDGWVHUXHJPFKY-UHFFFAOYSA-N;137.16;1.51;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNa_N0";;;;;;;1.17;;-1.18;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM440645;MM440645;CC=COC1CC1CCN;FVAQRHXXZDFYSO-UHFFFAOYSA-N;141.21;1.27;;;;;DOPC;MDCG;27;1;"MARTINI bead: C5_SNd";;;;;;;1.64;;-2.68;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM440646;MM440646;C=CNC1=NC(=NC)N=C1;CWRMYKTXLJXAMH-UHFFFAOYSA-N;136.16;0.19;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP1_SNd";;;;;;;0.04;;-2.63;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM440647;MM440647;C#CC1NC1CC(C)=CF;UEUFUUDJGXGAAG-UHFFFAOYSA-N;139.17;1.22;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4_SP3";;;;;;;0.23;;-1.03;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM440648;MM440648;C#CC=C1C=CC(C#C)O1;LMANYBMDHVJZRQ-UHFFFAOYSA-N;130.15;1.09;;;;;DOPC;MDCG;27;0;"MARTINI bead: SN0_SN0";;;;;;;1.47;;-0.05;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM440649;MM440649;NN=c1ncc(=O)nco1;AFWMNPBMTITDAX-UHFFFAOYSA-N;140.1;-1.8;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP3_SP3";;;;;;;-3.07;;-6.15;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM440650;MM440650;CC=COC1CC1CCO;QEPRKOYIWKAOGI-UHFFFAOYSA-N;142.2;1.31;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_SNda";;;;;;;1.64;;0.05;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM440651;MM440651;C#CC(C=C)=CCCC#N;QCOKRGJYAGXVKM-UHFFFAOYSA-N;131.18;2.04;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4_P1";;;;;;;1.37;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM440652;MM440652;C#CC1CC=C(CF)C1C;WCFHVRKIUNKVNS-UHFFFAOYSA-N;138.19;2.17;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC5_SC4";;;;;;;2.97;;0.45;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM440653;MM440653;C#CC1NC1CC(F)=CC;HTMNOVPMBAILTC-UHFFFAOYSA-N;139.17;1.22;;;;;DOPC;MDCG;27;0;"MARTINI bead: C3_SP3";;;;;;;0.6;;-0.8;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM440654;MM440654;CCN=C1N=CC(NC)=N1;KTJPINVKHSQFHR-UHFFFAOYSA-N;138.17;0.06;;;;;DOPC;MDCG;27;0;"MARTINI bead: SN0_SP1";;;;;;;0.34;;-1.53;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM440655;MM440655;CC=C1C=CC(=CCC)C1;QFWDOXGDOOJLRF-UHFFFAOYSA-N;134.22;3.23;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC2_SC3";;;;;;;4.53;;0.32;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM440656;MM440656;C=NNC=NCC(C)CF;FAFHAQZJBNPUAJ-UHFFFAOYSA-N;145.18;0.83;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4_P2";;;;;;;1.09;;-0.37;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM440657;MM440657;C#CC(C=O)=CCCC=C;IGZVHCHBAYMQQS-UHFFFAOYSA-N;134.18;1.71;;;;;DOPC;MDCG;27;0;"MARTINI bead: C3_Na";;;;;;;2.57;;0.45;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM440658;MM440658;C#CC1CC=C(CO)C1N;PRCONJNVNQLVQO-UHFFFAOYSA-N;137.18;-0.11;;;;;DOPC;MDCG;27;1;"MARTINI bead: SC5_SP1";;;;;;;0.81;;-2.32;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM440659;MM440659;C=CC(=NN)OCOCC;IGPBADALSDJIHO-UHFFFAOYSA-N;144.17;0.46;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_Nda";;;;;;;0.87;;-1.99;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM440660;MM440660;N=c1c(N)nncn1C=O;ATTHPCDSSRSVBS-UHFFFAOYSA-N;139.12;-1.62;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP2_SP3";;;;;;;-2.2;;-5.19;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM440661;MM440661;CC=C1C=CC(=CCN)C1;GPQBMNCQUBQDBP-UHFFFAOYSA-N;135.21;1.78;;;;;DOPC;MDCG;27;1;"MARTINI bead: SC3_SNd";;;;;;;2.57;;-0.96;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM440662;MM440662;CNCC1CC1OC=NN;VHWIEAGPPCRXTK-UHFFFAOYSA-N;143.19;-0.49;;;;;DOPC;MDCG;27;1;"MARTINI bead: SNd_P1";;;;;;;0.04;;-5.54;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM440663;MM440663;C#CC(C#N)=CCCC=C;SWBZBPAGXCELKN-UHFFFAOYSA-N;131.18;2.04;;;;;DOPC;MDCG;27;0;"MARTINI bead: C3_N0";;;;;;;2.87;;0.37;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM440664;MM440664;C#CC1CC=C(CF)C1N;MNIQXSNLXGVZOM-UHFFFAOYSA-N;139.17;0.86;;;;;DOPC;MDCG;27;1;"MARTINI bead: SC5_SNda";;;;;;;1.64;;-2;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM440665;MM440665;CCC(C)=CC1CC1CC;WRFZOFIKDXDQLL-UHFFFAOYSA-N;138.25;3.39;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC3_C1";;;;;;;4.61;;0.31;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM440666;MM440666;CC=C1C=CC(=CCO)C1;ASGIOSUQLJRFIB-UHFFFAOYSA-N;136.19;1.81;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC3_SNda";;;;;;;2.57;;0.44;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM440667;MM440667;CC=NOC1CC1CCC;VWARKEPCPRYYEJ-UHFFFAOYSA-N;141.21;2.2;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC2_Na";;;;;;;2.83;;0.35;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM440668;MM440668;C#CC(C#N)=CCCC=O;JZQOJORQCLXYPU-UHFFFAOYSA-N;133.15;1.05;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_N0";;;;;;;1.17;;-1.18;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM440669;MM440669;CC#Cc1noc(C)c1N;GSBRDTLLLILRFD-UHFFFAOYSA-N;136.15;0.94;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNda_SN0";;;;;;;1.17;;-1.13;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM440670;MM440670;CCC1CC1C=C(C)CN;JSXKCTZTMLXERS-UHFFFAOYSA-N;139.24;1.94;;;;;DOPC;MDCG;27;1;"MARTINI bead: SC3_Nd";;;;;;;2.57;;-0.98;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM440671;MM440671;C#CCC(=C)C1NC1C=O;BZWNDVZKFAPJQX-UHFFFAOYSA-N;135.17;0.11;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_SP2";;;;;;;0.54;;-1.09;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM440672;MM440672;CCC=C1C=CC(=CF)C1;IBGJWJYEGSIKKH-UHFFFAOYSA-N;138.19;3.14;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC2_SC4";;;;;;;4.16;;0.44;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM440673;MM440673;C#CC(C=C)OC1CC1C;BLDCGZNGNVNFFX-UHFFFAOYSA-N;136.19;1.6;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNa_C5";;;;;;;1.64;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM440674;MM440674;CC=COC1CC1OCC;JDKIPCPCLAIBJT-UHFFFAOYSA-N;142.2;1.71;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNa_C5";;;;;;;1.64;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM440675;MM440675;C#CC(C#N)=CCCC#N;PNADVSZYRUVROO-UHFFFAOYSA-N;130.15;1.37;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_P1";;;;;;;0.81;;-0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM440676;MM440676;CCC1CC1C=C(C)CO;HTNFOZJCLOHFSL-UHFFFAOYSA-N;140.23;1.97;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC3_Nda";;;;;;;2.57;;0.44;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM440677;MM440677;C#CC1OC=C(CC)C1C;ABLQTGCOGRQXID-UHFFFAOYSA-N;136.19;1.95;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC4_SNa";;;;;;;2.2;;0.34;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM440678;MM440678;NCC=C1C=CC(=CF)C1;KFUWMHVGQBTAQM-UHFFFAOYSA-N;139.17;1.68;;;;;DOPC;MDCG;27;1;"MARTINI bead: SNd_SC4";;;;;;;2.2;;-1.66;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM440679;MM440679;CC=NOC1CC1OCC;XOPNCTBPNRPELV-UHFFFAOYSA-N;143.19;1.19;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNa_Na";;;;;;;0.87;;-2.22;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM440680;MM440680;C#CC(C=O)OC1CC1C;NCSSVAMZVDDSOB-UHFFFAOYSA-N;138.17;0.61;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNa_Na";;;;;;;0.87;;-2.22;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM440681;MM440681;C#CC(C=C)=CCNC=N;SRZWKUKMMSSBTK-UHFFFAOYSA-N;134.18;0.93;;;;;DOPC;MDCG;27;1;"MARTINI bead: C4_P3";;;;;;;0.23;;-4.88;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM440682;MM440682;OCC=C1C=CC(=CF)C1;QXLZCVXXVCOLRK-UHFFFAOYSA-N;140.16;1.72;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNda_SC4";;;;;;;2.2;;0.49;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM440683;MM440683;CCC(C)=CC1CC1CN;WQYUSQDKOPWEFH-UHFFFAOYSA-N;139.24;1.94;;;;;DOPC;MDCG;27;1;"MARTINI bead: C1_SNd";;;;;;;2.91;;-0.55;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM440684;MM440684;C#CC1OC=C(CO)C1C;QZHLKMKEJIOSBG-UHFFFAOYSA-N;138.17;0.53;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNa_SNda";;;;;;;0.87;;-1.99;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM440685;MM440685;C#CC(C#N)OC1CC1C;ZUIOSKJTXLTCOS-UHFFFAOYSA-N;135.17;0.94;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNa_N0";;;;;;;1.17;;-1.18;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM440686;MM440686;CCOC=COC=NNC;NDSSUVKACVOWHP-UHFFFAOYSA-N;144.17;0.67;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_P2";;;;;;;0.54;;-1.09;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM440687;MM440687;CC=CCC1CN1CCN;IUASEVVWVYQOHJ-UHFFFAOYSA-N;140.23;0.6;;;;;DOPC;MDCG;27;1;"MARTINI bead: C2_SP2";;;;;;;1.72;;-1.27;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM440688;MM440688;CCC(C)=CC1CC1NC;XWENLWIXWUIOOC-UHFFFAOYSA-N;139.24;1.95;;;;;DOPC;MDCG;27;1;"MARTINI bead: C1_SNd";;;;;;;2.91;;-0.48;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM440689;MM440689;CCC=C1C=CC(=NN)C1;VRZKOIUVONCEAZ-UHFFFAOYSA-N;136.2;1.6;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC2_SNd";;;;;;;2.83;;0.62;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM440690;MM440690;C#CC1ON=C(CF)C1C;INVXAFPISQISAW-UHFFFAOYSA-N;141.15;0.98;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNa_SNa";;;;;;;0.87;;-2.22;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM440691;MM440691;C=CCC1CC1CC=CC;PLNJRAHTBVUWNC-UHFFFAOYSA-N;136.24;3.16;;;;;DOPC;MDCG;27;0;"MARTINI bead: C2_SC4";;;;;;;4.16;;0.44;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM440692;MM440692;C#CC(C=O)=CCNC=N;ULZMSPLTTKKBSU-UHFFFAOYSA-N;136.15;-0.06;;;;;DOPC;MDCG;27;1;"MARTINI bead: P2_Na";;;;;;;-0.24;;-7.19;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM440693;MM440693;C#CC(C=C)OC1CC1N;FYDFWDPXTGGUFI-UHFFFAOYSA-N;137.18;0.29;;;;;DOPC;MDCG;27;1;"MARTINI bead: SP2_C5";;;;;;;0.54;;-2.92;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM440694;MM440694;CCC(C)=CC1NC1CN;ZUELTCXLOQEBPY-UHFFFAOYSA-N;140.23;0.64;;;;;DOPC;MDCG;27;1;"MARTINI bead: C1_SP2";;;;;;;1.8;;-0.84;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM440695;MM440695;C=CC(=NN)ON=C(C)C;AMDCUUCBZUNPEP-UHFFFAOYSA-N;141.17;0.86;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_Nd";;;;;;;0.87;;-1.88;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM440696;MM440696;C#CC1CN=C(CC)N1C;FKRDYCICCGJBST-UHFFFAOYSA-N;136.2;0.74;;;;;DOPC;MDCG;27;1;"MARTINI bead: SNd_SP1";;;;;;;0.04;;-3.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM440697;MM440697;C#CC(C=O)=CCNC=O;SMNQDPWITZEVCR-UHFFFAOYSA-N;137.14;-0.51;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda_P2";;;;;;;-0.24;;-3.31;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM440698;MM440698;CC=CCC1CC1CC=O;VVRYTTHHXWFXSH-UHFFFAOYSA-N;138.21;2.18;;;;;DOPC;MDCG;27;0;"MARTINI bead: C2_SNa";;;;;;;2.83;;0.35;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM440699;MM440699;C#CC(C=C)OC1CC1F;QAEDHBAFHASFGG-UHFFFAOYSA-N;140.16;1.3;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP1_C5";;;;;;;0.81;;-0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM440700;MM440700;CN(C=NC=N)OC=NN;QDRXZMHUJQWQSD-UHFFFAOYSA-N;143.15;-0.61;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_P1";;;;;;;-1.06;;-3.82;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM440701;MM440701;C=COCOC(C=C)=NN;NFKMQERQDYODDA-UHFFFAOYSA-N;142.16;0.58;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda_Na";;;;;;;0.87;;-1.99;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM440702;MM440702;C#CC1CN=C(CN)N1C;JWLVFDHOWODXHM-UHFFFAOYSA-N;137.19;-0.71;;;;;DOPC;MDCG;27;1;"MARTINI bead: SP1_SP2";;;;;;;-1.06;;-4.88;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM440703;MM440703;CC=CCC1CC1CC#N;KFSCXLRIUAFYOV-UHFFFAOYSA-N;135.21;2.5;;;;;DOPC;MDCG;27;0;"MARTINI bead: C2_SC5";;;;;;;3.6;;0.34;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM440704;MM440704;C#CC(C=C)=CCNN=C;VKEDHXYUAGDIPP-UHFFFAOYSA-N;134.18;0.94;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4_P2";;;;;;;1.09;;-0.38;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM440705;MM440705;C#CC(C=C)CC1OC1C;CYTAHEITRXZMAT-UHFFFAOYSA-N;136.19;1.6;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNa_C5";;;;;;;1.64;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM440706;MM440706;C#CC1CC=C(C=C)C1C;LJNQQKKXLCKXGT-UHFFFAOYSA-N;132.21;2.39;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC5_SC2";;;;;;;3.6;;0.34;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM440707;MM440707;NCC=C1C=CC(=NO)C1;DDVFCXSLZVSSAV-UHFFFAOYSA-N;138.17;0.66;;;;;DOPC;MDCG;27;1;"MARTINI bead: SNd_SNda";;;;;;;0.87;;-4.13;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM440708;MM440708;CCN1CC1C=C(C)OC;SBGXZTCZXVDUPC-UHFFFAOYSA-N;141.21;1.24;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNd_C5";;;;;;;1.64;;0.03;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM440709;MM440709;N#CCC1CC1CC=CF;KVYHKGDMZKLKCK-UHFFFAOYSA-N;139.17;2.41;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4_SC5";;;;;;;2.97;;0.45;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM440710;MM440710;C#CC(C=C)=CCOC=C;UXDRKEWHNRLDCD-UHFFFAOYSA-N;134.18;1.89;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_C4";;;;;;;2.2;;0.34;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM440711;MM440711;C#CC(C=O)CC1OC1C;MSLQDSQDFHWLCL-UHFFFAOYSA-N;138.17;0.61;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNa_Na";;;;;;;0.87;;-2.22;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM440712;MM440712;C#CC1CC=C(C=O)C1C;ACQVOKKJTNWASA-UHFFFAOYSA-N;134.18;1.4;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC5_SC5";;;;;;;2.41;;0.64;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM440713;MM440713;OCC=C1C=CC(=NO)C1;INHMJOXQFIYKNW-UHFFFAOYSA-N;139.15;0.7;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNda_SNda";;;;;;;0.87;;-2.07;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM440714;MM440714;C=CC(C)=CC1CC1CC;VYOIIVFQYRLZQL-UHFFFAOYSA-N;136.24;3.16;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC3_C3";;;;;;;4.27;;0.2;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM440715;MM440715;CC=CCC1CC1NC=N;ADLLEVIBHQAPAP-UHFFFAOYSA-N;138.21;1.54;;;;;DOPC;MDCG;27;1;"MARTINI bead: C2_SP1";;;;;;;2;;-2.73;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM440716;MM440716;C#CC(C=C)=CCOC=O;APCFHBRCUPHVBC-UHFFFAOYSA-N;136.15;0.91;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4_P1";;;;;;;1.37;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM440717;MM440717;C#CC(C#N)CC1OC1C;BJVQYOIJAQEECT-UHFFFAOYSA-N;135.17;0.94;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNa_N0";;;;;;;1.17;;-1.18;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM440718;MM440718;CCC=C1C=CC(NC)=N1;YMAMKSUAOZVDRV-UHFFFAOYSA-N;136.2;1.47;;;;;DOPC;MDCG;27;1;"MARTINI bead: SC4_SNd";;;;;;;2.2;;-2.57;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM440719;MM440719;CCC1CC1C=C(C)C=O;KXTHVWGCYGLGMZ-UHFFFAOYSA-N;138.21;2.18;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC3_Na";;;;;;;2.57;;0.45;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM440720;MM440720;C#CC1CC=C(C#N)C1C;BSNIWSUXUAZYJN-UHFFFAOYSA-N;131.18;1.73;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC5_SC5";;;;;;;2.41;;0.64;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM440721;MM440721;C=CCC1CC1NC=NC;JCWJGBXKXXJLDA-UHFFFAOYSA-N;138.21;1.2;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1_SC4";;;;;;;1.37;;-3.37;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM440722;MM440722;C#CC(C=O)=CCOC=C;JOBLRHGFQNPANT-UHFFFAOYSA-N;136.15;0.91;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_Na";;;;;;;0.87;;-2.22;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM440723;MM440723;COC(C=O)CCN1CC1;BTZUFISCOHYXEQ-UHFFFAOYSA-N;143.19;-0.09;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_SP1";;;;;;;0.04;;-2.54;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM440724;MM440724;C=CC(C)=CC1CC1CN;ZJRRGOUGXMJQLJ-UHFFFAOYSA-N;137.23;1.71;;;;;DOPC;MDCG;27;1;"MARTINI bead: C3_SNd";;;;;;;2.57;;-1.51;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM440725;MM440725;C#CC1CC=C(C=C)C1N;CDCAFLKWGVRQKY-UHFFFAOYSA-N;133.19;1.08;;;;;DOPC;MDCG;27;1;"MARTINI bead: SC5_SNd";;;;;;;1.64;;-2.05;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM440726;MM440726;CN=C1C=CC(=CCN)N1;NCYWYGLQFPPDLS-UHFFFAOYSA-N;137.19;0.02;;;;;DOPC;MDCG;27;1;"MARTINI bead: SNd_SP1";;;;;;;0.04;;-4.97;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM440727;MM440727;C=CCC1CC1NC=NN;LJOYEUONYUXNRG-UHFFFAOYSA-N;139.2;0.44;;;;;DOPC;MDCG;27;1;"MARTINI bead: P3_SC4";;;;;;;0.23;;-2.15;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM440728;MM440728;C#CC(C#N)=CCOC=C;IIVBEBLSDKPIRQ-UHFFFAOYSA-N;133.15;1.23;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_N0";;;;;;;1.17;;-1.18;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM440729;MM440729;N=c1ncc(N)no1;DCOJPOFRTIIMMF-UHFFFAOYSA-N;112.09;-0.87;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP3_SP3";;;;;;;-3.07;;-6.15;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM440730;MM440730;CCC1OC1C=C(C)C#N;BWDFQHYZIMZPRE-UHFFFAOYSA-N;137.18;1.63;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNa_N0";;;;;;;1.17;;-1.18;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM440731;MM440731;O=CN1CCC(=O)C1;BYVLBWKAOQZPDF-UHFFFAOYSA-N;113.12;-0.58;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP1_SP2";;;;;;;-1.06;;-3.82;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM440732;MM440732;CCC=C1C=CC(NN)=N1;GDDKYHQKWXEQLE-UHFFFAOYSA-N;137.19;0.71;;;;;DOPC;MDCG;27;1;"MARTINI bead: SC4_SP1";;;;;;;1.37;;-1.42;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM440733;MM440733;C=CCC1CC1NN=CC;ODKMZSKIWKPYEQ-UHFFFAOYSA-N;138.21;1.55;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nd_SC4";;;;;;;2.2;;0.32;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM440734;MM440734;C#CC(C#N)=CCOC=O;YPYXMZXHXMGDFX-UHFFFAOYSA-N;135.12;0.24;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_N0";;;;;;;0.34;;-1.53;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM440735;MM440735;NNc1ccn(N)n1;FRCBDRCDJCSFLL-UHFFFAOYSA-N;113.12;-1.12;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP1_SP1";;;;;;;-0.79;;-3.13;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM440736;MM440736;CCC1CN1N=C(C)C#N;FBWJCWFZFNQVOD-UHFFFAOYSA-N;137.19;0.98;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP1_P1";;;;;;;-0.79;;-3.13;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM440737;MM440737;C#CC1NC=C(C=O)C1C;OJRMNUYXEFVURK-UHFFFAOYSA-N;135.17;0.31;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNd_SP1";;;;;;;0.04;;-2.63;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM440738;MM440738;C=CC(C)CN=CNN=C;YSWLTWZINFTECH-UHFFFAOYSA-N;139.2;1.04;;;;;DOPC;MDCG;27;0;"MARTINI bead: C2_P2";;;;;;;1.72;;0.28;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM440739;MM440739;NCC=C1C=CC(NO)=N1;PDSXPKFVPMAOAX-UHFFFAOYSA-N;139.16;-0.22;;;;;DOPC;MDCG;27;1;"MARTINI bead: SNd_SP1";;;;;;;0.04;;-4.23;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM440740;MM440740;C#CC(C=C)=CCON=C;YTTUNLPHZNIAPO-UHFFFAOYSA-N;135.17;1.36;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4_P1";;;;;;;1.37;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM440741;MM440741;C#CC(C)=CC1CC1CC;OAJVHBDSCOXFKO-UHFFFAOYSA-N;134.22;2.61;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC3_C5";;;;;;;3.34;;0.48;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM440742;MM440742;C=C(C)C1C(C)C1(C)O;BWZUATPBXWJVCJ-UHFFFAOYSA-N;126.2;1.58;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4_SNda";;;;;;;2.2;;0.49;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM440743;MM440743;C#CC1NC=C(C#N)C1C;QKRLUURINMZTNK-UHFFFAOYSA-N;132.17;0.63;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNd_SN0";;;;;;;1.17;;-1.04;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM440744;MM440744;CC=C1C=CC(=NCC)N1;QAQJNNPKEZKSMG-UHFFFAOYSA-N;136.2;1.47;;;;;DOPC;MDCG;27;1;"MARTINI bead: SNd_SN0";;;;;;;1.17;;-3.22;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM440745;MM440745;C#CC(C#N)=CNCC=C;IUCAMSICWRSNAN-UHFFFAOYSA-N;132.17;0.8;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_N0";;;;;;;0.34;;-1.53;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM440746;MM440746;C=CCC1CC1OC=CC;FXOFGEHALJMJLR-UHFFFAOYSA-N;138.21;2.5;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_SC4";;;;;;;2.97;;0.45;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM440747;MM440747;C=CC1CC1C=C(C)CC;SGQFOKVAGDOJQX-UHFFFAOYSA-N;136.24;3.16;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1_SC4";;;;;;;4.24;;0.42;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM440748;MM440748;C#CC(C#C)CC1CC1C;ZQJNTAGXAJQQOD-UHFFFAOYSA-N;132.21;1.92;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC5_C5";;;;;;;2.41;;0.64;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM440749;MM440749;CC1CC2(C)CC1(O)C2;JJLRCUKBSTWDLM-UHFFFAOYSA-N;126.2;1.56;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC3_SNda";;;;;;;2.57;;0.44;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM440750;MM440750;CC=COC1CC1CC#N;RCSJWSWVLHQFCJ-UHFFFAOYSA-N;137.18;1.84;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_SC5";;;;;;;2.41;;0.64;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM440751;MM440751;CCN=C1C=CC(NC)=N1;JTGPJHBQQIYCOG-UHFFFAOYSA-N;137.19;0.59;;;;;DOPC;MDCG;27;1;"MARTINI bead: SN0_SNd";;;;;;;1.17;;-2.07;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM440752;MM440752;C#CC(C=O)=CNCC=O;DCVDPEXCWMOISQ-UHFFFAOYSA-N;137.14;-0.51;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_Na";;;;;;;-0.24;;-3.24;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM440753;MM440753;COC(C)=CC1CC1C#N;INOPTBIPSLMFML-UHFFFAOYSA-N;137.18;1.7;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_SN0";;;;;;;1.94;;0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM440754;MM440754;C#CC(C#C)CC1CC1N;YXSZOAINFBIDMP-UHFFFAOYSA-N;133.19;0.61;;;;;DOPC;MDCG;27;1;"MARTINI bead: SNd_N0";;;;;;;1.17;;-3.68;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM440755;MM440755;C=CC1C(C)C1(O)CC;KPPODVHVSDPLLS-UHFFFAOYSA-N;126.2;1.58;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNda_C4";;;;;;;2.2;;0.49;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM440756;MM440756;CC=Cc1c[nH]c(=NC)[nH]1;TUXMGOGSAKNSPO-UHFFFAOYSA-N;137.19;0.91;;;;;DOPC;MDCG;27;1;"MARTINI bead: SNd_SP1";;;;;;;0.04;;-6.19;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM440757;MM440757;C#CC(C=O)=CNCC#N;HRBBQVLDCNXBCV-UHFFFAOYSA-N;134.14;-0.18;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_Na";;;;;;;-0.24;;-3.24;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM440758;MM440758;C#CCC(=NC)NN=CC;DBHFJRNGSSCZEE-UHFFFAOYSA-N;137.19;0.63;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nd_N0";;;;;;;1.17;;-1.04;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM440759;MM440759;C=CC1NC1C=C(C)CC;BOZYVPWFJQAKAW-UHFFFAOYSA-N;137.23;1.87;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1_SP1";;;;;;;2.08;;0.51;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM440760;MM440760;CCC(O)CC1(C)CC1;NBSFRYPEUMPRJG-UHFFFAOYSA-N;128.22;1.95;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda_SC5";;;;;;;1.64;;0.05;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM440761;MM440761;C#CC1OC=C(C=O)C1C;DKYIUNLYUWVINF-UHFFFAOYSA-N;136.15;0.74;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNa_SNa";;;;;;;0.87;;-2.22;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM440762;MM440762;CN=c1[nH]cc(C=CN)[nH]1;FUDKXYIQZSYXQO-UHFFFAOYSA-N;138.17;-0.2;;;;;DOPC;MDCG;27;1;"MARTINI bead: SP1_SP1";;;;;;;-0.79;;-6.46;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM440763;MM440763;CC=NOC1CC1CC#N;PUJRLWFSSZVBHS-UHFFFAOYSA-N;138.17;1.31;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_SC5";;;;;;;1.64;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM440764;MM440764;C#CC(C=O)=CNNC=N;FBMSLLJXPFYWGI-UHFFFAOYSA-N;137.14;-0.6;;;;;DOPC;MDCG;27;1;"MARTINI bead: P4_Na";;;;;;;-1.19;;-7.11;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM440765;MM440765;C=CC1NC1C=C(C)CF;FHFXMDCPPNTJSL-UHFFFAOYSA-N;141.19;1.43;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4_SP1";;;;;;;1.37;;-0.05;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM440766;MM440766;C#CC(C#C)CC1CC1F;LQUGLHAEJIHNOO-UHFFFAOYSA-N;136.17;1.62;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNa_C5";;;;;;;1.64;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM440767;MM440767;C#CC1OC=C(C#N)C1C;WQIURCGJBUTEJP-UHFFFAOYSA-N;133.15;1.06;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNa_SN0";;;;;;;1.17;;-1.18;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM440768;MM440768;CC=Cc1c[nH]c(=NN)[nH]1;PIONKEMGTHYMRB-UHFFFAOYSA-N;138.17;0.15;;;;;DOPC;MDCG;27;1;"MARTINI bead: SN0_SP2";;;;;;;0.06;;-4.28;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM440769;MM440769;C#CC(C=O)=CNNC=O;WRIWMFAAUKKFCP-UHFFFAOYSA-N;138.13;-1.05;;;;;DOPC;MDCG;27;0;"MARTINI bead: P4_Na";;;;;;;-1.19;;-4.76;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM440770;MM440770;CC=CCC1NC1CC#N;YBWACELQWAZXOQ-UHFFFAOYSA-N;136.2;1.21;;;;;DOPC;MDCG;27;0;"MARTINI bead: C2_SP2";;;;;;;1.72;;0.28;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM440771;MM440771;C=CC1OC1C=C(C)CN;PTZFVFQKZMULJB-UHFFFAOYSA-N;139.2;0.84;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_SNa";;;;;;;0.87;;-4.14;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM440772;MM440772;C#CC1ON=C(C=O)C1C;QCRURBGQHWYXJE-UHFFFAOYSA-N;137.14;0.21;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNa_SNa";;;;;;;0.87;;-2.22;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM440773;MM440773;C#CC(C#C)NC1CC1N;BBKQAAXOFCTUOA-UHFFFAOYSA-N;134.18;-0.69;;;;;DOPC;MDCG;27;1;"MARTINI bead: SP1_Nd";;;;;;;0.04;;-4.42;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM440774;MM440774;CN(C=NC=O)OC=NN;OGIRPUSTWPXGRP-UHFFFAOYSA-N;144.13;-1.06;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_P1";;;;;;;-0.79;;-3.13;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM440775;MM440775;C=CCC1OC1CC=CC;NTMRYGOVMGNCRH-UHFFFAOYSA-N;138.21;2.3;;;;;DOPC;MDCG;27;0;"MARTINI bead: C2_SNa";;;;;;;2.83;;0.35;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM440776;MM440776;C=CC1OC1C=C(C)CF;OTZKNBOOSMGDRF-UHFFFAOYSA-N;142.17;1.86;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4_SNa";;;;;;;2.2;;0.34;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM440777;MM440777;C#CC(C#N)=CNNC=O;IBJYHNWTOWLMSJ-UHFFFAOYSA-N;135.13;-0.72;;;;;DOPC;MDCG;27;0;"MARTINI bead: P4_N0";;;;;;;-0.88;;-3.74;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM440778;MM440778;C#CC(C#C)OC1CC1C;GSXNXJIDNHIYOA-UHFFFAOYSA-N;134.18;1.05;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNa_N0";;;;;;;1.17;;-1.18;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM440779;MM440779;C#CC1CN=C(C#N)N1C;VAUHEYCWDFWOKJ-UHFFFAOYSA-N;133.15;-0.14;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP1_SP1";;;;;;;-0.79;;-3.13;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM440780;MM440780;CN=Cc1c[nH]c(=NC)[nH]1;OVXREFPDDFZKRI-UHFFFAOYSA-N;138.17;-0.08;;;;;DOPC;MDCG;27;1;"MARTINI bead: SP1_SP1";;;;;;;-0.79;;-6.11;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM440781;MM440781;CCC(C)=CC1CN1C=N;FBOFMYRKPKZSNB-UHFFFAOYSA-N;138.21;1.63;;;;;DOPC;MDCG;27;1;"MARTINI bead: C1_SP2";;;;;;;1.8;;-1.58;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM440782;MM440782;C#CC(C=C)=COCC=C;QYIHAKXJWWHIMR-UHFFFAOYSA-N;134.18;1.89;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_C4";;;;;;;2.2;;0.34;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM440783;MM440783;CC=CCC1OC1CC=O;QXMJFLUZERBNGL-UHFFFAOYSA-N;140.18;1.31;;;;;DOPC;MDCG;27;0;"MARTINI bead: C2_SP1";;;;;;;2;;0.29;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM440784;MM440784;C#CC1=CCC(C#C)C1C;RYUHOUSZQKZHJK-UHFFFAOYSA-N;130.19;1.84;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC5_SC4";;;;;;;2.97;;0.45;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM440785;MM440785;C#CC(C#C)OC1CC1N;LYVOQAKMXOFMJD-UHFFFAOYSA-N;135.17;-0.26;;;;;DOPC;MDCG;27;1;"MARTINI bead: SP2_N0";;;;;;;0.06;;-4.04;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM440786;MM440786;CCC(O)C(C)CCCF;KPOYTZWMOSOYMW-UHFFFAOYSA-N;148.22;2.14;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda_C1";;;;;;;2.91;;0.57;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM440787;MM440787;CC(=CC1CN1C=N)CN;VSQNTITXODTKCM-UHFFFAOYSA-N;139.2;0.18;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_SP2";;;;;;;-0.24;;-5.92;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM440788;MM440788;C#CC(C=C)=COCC=O;JUJHWALLFVWOLJ-UHFFFAOYSA-N;136.15;0.91;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4_P2";;;;;;;1.09;;-0.38;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM440789;MM440789;CC=CCC1OC1CC#N;QZKWVCUUMKSDBK-UHFFFAOYSA-N;137.18;1.63;;;;;DOPC;MDCG;27;0;"MARTINI bead: C2_SNa";;;;;;;2.83;;0.35;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM440790;MM440790;C#CC(C#C)CC1OC1C;YEACCTLNWIKNLB-UHFFFAOYSA-N;134.18;1.05;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNa_C5";;;;;;;1.64;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM440791;MM440791;NNc1cc(N)n(N)n1;GGABBIQRKRMCLN-UHFFFAOYSA-N;128.14;-1.54;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP1_SP2";;;;;;;-1.06;;-3.82;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM440792;MM440792;CN(OC=NN)C(=N)CF;LWLFJKHNABWXOC-UHFFFAOYSA-N;148.14;-0.3;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_Na";;;;;;;-0.24;;-3.24;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM440793;MM440793;CC(=CC1CN1C=N)CO;QNIICNVGJUNPSJ-UHFFFAOYSA-N;140.19;0.22;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nda_SP2";;;;;;;-0.24;;-6;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM440794;MM440794;C#CC(C=C)=COCC#N;TXHNMBRCPDKJRM-UHFFFAOYSA-N;133.15;1.23;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_C5";;;;;;;0.81;;-0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM440795;MM440795;CC=CCN1CC1CC#N;NSJYDQVSJSUHSE-UHFFFAOYSA-N;136.2;1.16;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nd_SP2";;;;;;;-0.24;;-3.16;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM440796;MM440796;C#CC1=COC(C#C)C1C;LHCCYFVLNFMUBC-UHFFFAOYSA-N;132.16;1.17;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNa_SN0";;;;;;;1.17;;-1.18;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM440797;MM440797;C#CC(C#C)CN1CC1C;HFELOHQROFDKEF-UHFFFAOYSA-N;133.19;0.57;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNd_N0";;;;;;;1.17;;-1.04;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM440798;MM440798;CC=c1ccc(=CCC)o1;ZOOSGBSVKBEIRE-UHFFFAOYSA-N;136.19;1.27;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC2_SN0";;;;;;;3.13;;0.3;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM440799;MM440799;CCC(C)=CC1CN1C=O;DCKDADHEUQUFMV-UHFFFAOYSA-N;139.2;1.18;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1_SP2";;;;;;;1.8;;0.4;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM440800;MM440800;C#CC(C=O)=COCC=C;DFHRRUCPAQXGFA-UHFFFAOYSA-N;136.15;0.91;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_Na";;;;;;;0.87;;-2.22;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM440801;MM440801;CN=CNN1CC1CC#N;QSZYPYNAPHZCSY-UHFFFAOYSA-N;138.17;-0.25;;;;;DOPC;MDCG;27;1;"MARTINI bead: P3_SP2";;;;;;;-2.2;;-7.31;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM440802;MM440802;C#CC1=NOC(C#C)C1C;IOJKGUWWTVYONH-UHFFFAOYSA-N;133.15;0.64;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNa_SN0";;;;;;;1.17;;-1.18;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM440803;MM440803;CC=C(CC)CC1CC1C;QDMWXRRFDHPLGF-UHFFFAOYSA-N;138.25;3.39;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1_SC5";;;;;;;3.68;;0.46;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM440804;MM440804;CCC=c1ccc(=CF)o1;ZCGVBCZMBYRFAV-UHFFFAOYSA-N;140.16;1.18;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC3_SN0";;;;;;;2.87;;0.37;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM440805;MM440805;CC(=CC1CN1C=O)CN;MURYHIYWIFVQTL-UHFFFAOYSA-N;140.19;-0.27;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_SP2";;;;;;;-0.24;;-5.11;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM440806;MM440806;C#CC(C#N)=COCC=C;PYRUBRVFZLTLRN-UHFFFAOYSA-N;133.15;1.23;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_N0";;;;;;;1.17;;-1.18;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM440807;MM440807;C#CCC1CC1CC=CC;GSUHXTIQXAFWPI-UHFFFAOYSA-N;134.22;2.61;;;;;DOPC;MDCG;27;0;"MARTINI bead: C2_SC4";;;;;;;4.16;;0.44;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM440808;MM440808;C=Cn1ccc(NN)n1;ANNYSUFZGONTRL-UHFFFAOYSA-N;124.15;0.27;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP1_SNa";;;;;;;0.04;;-2.54;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM440809;MM440809;CCC(=CF)CC1CC1C;SBBUNXWGEIXCAY-UHFFFAOYSA-N;142.22;3.3;;;;;DOPC;MDCG;27;0;"MARTINI bead: C2_SC5";;;;;;;3.6;;0.34;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM440810;MM440810;C=NN1CC1C=C(C)CC;GVRYKVPBJZGNJU-UHFFFAOYSA-N;138.21;1.64;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1_SP2";;;;;;;1.8;;0.4;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM440811;MM440811;NCC=c1ccc(=CF)o1;FWUWAQRTUWWRCJ-UHFFFAOYSA-N;141.15;-0.27;;;;;DOPC;MDCG;27;1;"MARTINI bead: SNda_SN0";;;;;;;1.17;;-2.95;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM440812;MM440812;C#CCC1CC1CC=CF;XDWYPGBWJUZKMV-UHFFFAOYSA-N;138.19;2.52;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4_SC4";;;;;;;3.53;;0.53;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM440813;MM440813;C#CC(C#N)=COCC=O;CWCAFORTUOQMHH-UHFFFAOYSA-N;135.12;0.24;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_N0";;;;;;;0.34;;-1.53;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM440814;MM440814;C=C1C(CC)=CCC1CC;RYFXCAFHDYHWHK-UHFFFAOYSA-N;136.24;3.31;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC2_SC1";;;;;;;4.87;;0.53;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM440815;MM440815;CC=C(CN)CC1CC1C;BFUOWYFPWVWMNN-UHFFFAOYSA-N;139.24;1.94;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_SC5";;;;;;;1.64;;-2.14;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM440816;MM440816;C=NN1CC1C=C(C)CN;IILZJBHSIIONSH-UHFFFAOYSA-N;139.2;0.19;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_SP2";;;;;;;-0.24;;-5.41;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM440817;MM440817;C=CC(F)C(=NN)OCC;DYAZAKKFXWXICJ-UHFFFAOYSA-N;146.17;0.82;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda_Na";;;;;;;0.87;;-1.99;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM440818;MM440818;C=CC(=NN)OCON=C;KSAJVGFZCXTALR-UHFFFAOYSA-N;143.15;0.05;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_N0";;;;;;;0.34;;-1.53;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM440819;MM440819;C=COC=COC=NNC;FIHVSDUSSTWASR-UHFFFAOYSA-N;142.16;0.8;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_C5";;;;;;;0.54;;-1.09;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM440820;MM440820;C=C1C(CN)=CCC1CC;BFDNIRMXXQOACA-UHFFFAOYSA-N;137.23;1.86;;;;;DOPC;MDCG;27;1;"MARTINI bead: SC2_SNd";;;;;;;2.83;;-0.2;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM440821;MM440821;C#CCC1CC1NC=NN;ZZDVRLOIBQNGFO-UHFFFAOYSA-N;137.19;-0.11;;;;;DOPC;MDCG;27;1;"MARTINI bead: P3_SC4";;;;;;;0.23;;-2.14;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM440822;MM440822;C=NNC(=N)C(C)=NN;XEJPDJYLCGZHQH-UHFFFAOYSA-N;127.15;-0.5;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nd_P2";;;;;;;-0.24;;-3.16;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM440823;MM440823;CCC=C1C=CC(=NO)O1;RDYMKNUIGXILMS-UHFFFAOYSA-N;139.15;1.65;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC5_SP1";;;;;;;0.81;;-0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM440824;MM440824;C#CC(C=C)=NOCC=C;YINVOFHUZLRGIX-UHFFFAOYSA-N;135.17;1.36;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_N0";;;;;;;1.17;;-1.18;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM440825;MM440825;C#CCC1CC1NN=CC;IOPFRWZDTOLKMZ-UHFFFAOYSA-N;136.2;0.99;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nd_SC4";;;;;;;2.2;;0.32;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM440826;MM440826;C#CC(=C)NC(C)=NN=C;QKCRMEALADBQAO-UHFFFAOYSA-N;135.17;0.76;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nd_N0";;;;;;;1.17;;-1.04;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM440827;MM440827;C=NN1CC1C=C(C)OC;YFXLBGJKWMITDS-UHFFFAOYSA-N;140.19;0.84;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_SP2";;;;;;;0.54;;-1.09;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM440828;MM440828;CC1CC1CC(=CF)CO;NVGYZFLCKVJKAI-UHFFFAOYSA-N;144.19;1.88;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC5_Nda";;;;;;;1.64;;0.05;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM440829;MM440829;C=CC=C1C=CC(=CC)C1;UBULMCRCXZLFHY-UHFFFAOYSA-N;132.21;3.01;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC3_SC4";;;;;;;3.9;;0.47;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM440830;MM440830;C#CCCC=C(C#C)C=C;VZQLJHNJTSQIDH-UHFFFAOYSA-N;130.19;2.15;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4_C5";;;;;;;2.97;;0.45;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM440831;MM440831;C#CCC1CC1OC=CC;ZZWXUNADXUOPHU-UHFFFAOYSA-N;136.19;1.95;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_SC4";;;;;;;2.97;;0.45;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM440832;MM440832;C=C1C(CF)=CCC1CC;XUACJIFZJRZDHD-UHFFFAOYSA-N;140.2;2.87;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC2_SC5";;;;;;;3.6;;0.34;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM440833;MM440833;CC=CCCC(=NN)OC;HASLEQIXDHFQCO-UHFFFAOYSA-N;142.2;1.26;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda_C2";;;;;;;2.83;;0.57;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM440834;MM440834;CC=C1C=CC(=CC=O)C1;GFCHNDGLNMWWEK-UHFFFAOYSA-N;134.18;2.02;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC3_SNa";;;;;;;2.57;;0.45;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM440835;MM440835;CC=C(CF)CC1CC1C;QZDLGXBYUZJXRI-UHFFFAOYSA-N;142.22;2.95;;;;;DOPC;MDCG;27;0;"MARTINI bead: C3_SC5";;;;;;;3.34;;0.48;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM440836;MM440836;C#CCCC=C(C#C)C=O;WTFHLXYVNLQPQG-UHFFFAOYSA-N;132.16;1.16;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_C5";;;;;;;1.64;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM440837;MM440837;C#CCC1CC1ON=CC;FSMPWLLWXOCPKW-UHFFFAOYSA-N;137.18;1.42;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_SC4";;;;;;;2.2;;0.34;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM440838;MM440838;C=C1C(CC)=CCC1CN;FVPGPKSGKSRDHU-UHFFFAOYSA-N;137.23;1.86;;;;;DOPC;MDCG;27;1;"MARTINI bead: SC1_SNd";;;;;;;2.91;;-0.51;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM440839;MM440839;C=CC1CN1N=C(C)CF;QMDWHUJDUCZSPL-UHFFFAOYSA-N;142.18;1.2;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_SP1";;;;;;;-0.79;;-3.13;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM440840;MM440840;CC=C1C=CC(=CC#N)C1;ANFXKTPTYFQMPJ-UHFFFAOYSA-N;131.18;2.34;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC3_SC5";;;;;;;3.34;;0.48;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM440841;MM440841;CC=C(CC)CC1CC1N;XKDWIQCNUMHOHY-UHFFFAOYSA-N;139.24;2.08;;;;;DOPC;MDCG;27;1;"MARTINI bead: C1_SP1";;;;;;;2.08;;-1.01;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM440842;MM440842;C#CCC1OC1CC=CC;NQPOCYLFEKRROQ-UHFFFAOYSA-N;136.19;1.74;;;;;DOPC;MDCG;27;0;"MARTINI bead: C2_SNa";;;;;;;2.83;;0.35;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM440843;MM440843;C#CCCC=C(C#C)C#N;LYZSLQFGJFRIQU-UHFFFAOYSA-N;129.16;1.48;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_N0";;;;;;;1.94;;0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM440844;MM440844;C=C1C(CN)=CCC1CN;AEYVSRTXCLBFBI-UHFFFAOYSA-N;138.21;0.41;;;;;DOPC;MDCG;27;1;"MARTINI bead: SNd_SNd";;;;;;;0.87;;-4.97;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM440845;MM440845;C=CC(=NN)OCC=CC;ANAVCZXXENBIHM-UHFFFAOYSA-N;140.19;1.04;;;;;DOPC;MDCG;27;0;"MARTINI bead: C2_Nda";;;;;;;2.83;;0.57;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM440846;MM440846;C=CC=C1C=CC(=CF)C1;YOKDDTJJGOLOMN-UHFFFAOYSA-N;136.17;2.91;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC4_SC4";;;;;;;3.53;;0.53;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM440847;MM440847;CCC(=CF)CC1CC1N;BSXZOJUBCWMHJS-UHFFFAOYSA-N;143.21;1.99;;;;;DOPC;MDCG;27;1;"MARTINI bead: C2_SP1";;;;;;;2;;-1.25;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM440848;MM440848;C#CCC1CN1CC=CC;WGFSULXNSOKPJB-UHFFFAOYSA-N;135.21;1.27;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nd_SP1";;;;;;;0.04;;-2.63;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM440849;MM440849;C=C1C(CO)=CCC1CN;DQGUVZDDKXWQQI-UHFFFAOYSA-N;139.2;0.44;;;;;DOPC;MDCG;27;1;"MARTINI bead: SNd_SNda";;;;;;;0.87;;-4.67;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM440850;MM440850;C#CCNC=C(C#C)C=O;PHEDSMRBAUICMJ-UHFFFAOYSA-N;133.15;-0.07;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_N0";;;;;;;0.34;;-1.53;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM440851;MM440851;COC(C)=NN1CC1C#N;ZTTONJJUGHWGEJ-UHFFFAOYSA-N;139.16;0.17;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_SP2";;;;;;;-1.06;;-3.82;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM440852;MM440852;O=CC=C1C=CC(=CF)C1;KJQVMTGBVDCRMN-UHFFFAOYSA-N;138.14;1.93;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC4_SNa";;;;;;;2.2;;0.34;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM440853;MM440853;CC=C(CN)CC1CC1N;NWCJOAHAGSHGCA-UHFFFAOYSA-N;140.23;0.63;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_SP1";;;;;;;0.04;;-5.41;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM440854;MM440854;C=C1C(CN)=CCC1CO;TZXGXJLYYCFSBS-UHFFFAOYSA-N;139.2;0.44;;;;;DOPC;MDCG;27;1;"MARTINI bead: SNd_SNda";;;;;;;0.87;;-4.11;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM440855;MM440855;CC#CCC1CC1CCN;QJTNMTDWTKBODJ-UHFFFAOYSA-N;137.23;1.38;;;;;DOPC;MDCG;27;1;"MARTINI bead: C4_SNd";;;;;;;2.2;;-2.21;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM440856;MM440856;C#CCOC=C(C#C)C=C;ZUESNMXZDIWAMS-UHFFFAOYSA-N;132.16;1.34;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4_P2";;;;;;;1.09;;-0.38;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM440857;MM440857;CC(C#N)=CC1CC1C=O;NDXQWOQFEYHNKJ-UHFFFAOYSA-N;135.17;1.29;;;;;DOPC;MDCG;27;0;"MARTINI bead: N0_SNa";;;;;;;1.17;;-1.18;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM440858;MM440858;N#CC=C1C=CC(=CF)C1;RAVOWUNHMBBGEJ-UHFFFAOYSA-N;135.14;2.25;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC4_SC5";;;;;;;2.97;;0.45;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM440859;MM440859;CC=C(CO)CC1CC1N;CELGNQWZPLOZEK-UHFFFAOYSA-N;141.21;0.66;;;;;DOPC;MDCG;27;1;"MARTINI bead: C5_SP1";;;;;;;0.81;;-3.11;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM440860;MM440860;C=NOCC(C=O)=NOC;VUTYLBCOVJHOGB-UHFFFAOYSA-N;144.13;-0.18;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_P2";;;;;;;-0.24;;-3.24;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM440861;MM440861;C#CCOC=C(C#C)C=O;YKTHCMKATZRVSP-UHFFFAOYSA-N;134.13;0.35;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_Na";;;;;;;0.87;;-2.22;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM440862;MM440862;C#CCC(F)C=NOC=O;AWDJTQVQTGQOAK-UHFFFAOYSA-N;143.12;0.51;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4_P2";;;;;;;1.09;;-0.38;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM440863;MM440863;C=CC1CC1C=C(F)C#N;AWXRHNAJVDDSEP-UHFFFAOYSA-N;137.16;2.19;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_SC4";;;;;;;2.97;;0.45;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM440864;MM440864;C=CC=C1C=CC(=NN)C1;DEQGKJQVVGIYMT-UHFFFAOYSA-N;134.18;1.37;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNd_SC4";;;;;;;2.2;;0.32;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM440865;MM440865;NC1CC1CC(=CF)CO;APLZOLJMNFFEDE-UHFFFAOYSA-N;145.18;0.57;;;;;DOPC;MDCG;27;1;"MARTINI bead: SP1_Nda";;;;;;;0.04;;-5.34;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM440866;MM440866;C#CCOC=C(C#C)C#N;MUKHOETWSADRIM-UHFFFAOYSA-N;131.13;0.68;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_N0";;;;;;;1.17;;-1.18;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM440867;MM440867;C=C1C(CC)=CCC1CF;ABVLJUNKWLEIFU-UHFFFAOYSA-N;140.2;2.87;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC1_SC5";;;;;;;3.68;;0.46;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM440868;MM440868;C=CCC1CC1CC#CC;DACUSWKGCALEJS-UHFFFAOYSA-N;134.22;2.61;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4_SC4";;;;;;;3.53;;0.53;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM440869;MM440869;N#CC(F)=CC1CC1C#N;ZVPVQUVUOUHSJH-UHFFFAOYSA-N;136.13;1.52;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_SN0";;;;;;;1.94;;0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM440870;MM440870;C=COC(=NN)C(F)C=C;NEQLRLFHAAHNIO-UHFFFAOYSA-N;144.15;0.94;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda_Na";;;;;;;0.87;;-1.99;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM440871;MM440871;CC=C(CF)CC1CC1N;LNZSWPFBWBRDGD-UHFFFAOYSA-N;143.21;1.64;;;;;DOPC;MDCG;27;1;"MARTINI bead: C3_SP1";;;;;;;1.74;;-1.95;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM440872;MM440872;CC#CCC1CC1CC=O;LVLNDHRRPCLOLZ-UHFFFAOYSA-N;136.19;1.62;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4_SNa";;;;;;;2.2;;0.34;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM440873;MM440873;C#CCON=C(C#C)C=C;IUQHTMBKHXSNJH-UHFFFAOYSA-N;133.15;0.81;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_C5";;;;;;;1.64;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM440874;MM440874;C=C1C(OC)=CCC1CC;WVPBWIZSRLKACW-UHFFFAOYSA-N;138.21;2.5;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC2_SC4";;;;;;;4.16;;0.44;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM440875;MM440875;CC(C=O)=CC1NC1C#N;QJPIPPUDUHAUBG-UHFFFAOYSA-N;136.15;;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_SP2";;;;;;;-0.24;;-3.24;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM440876;MM440876;O=CC=C1C=CC(=NO)C1;BOVKALSILHCCLF-UHFFFAOYSA-N;137.14;0.9;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNda_SNa";;;;;;;0.87;;-1.99;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM440877;MM440877;CCC1(C)C(C)CC1O;VQHGXQJRBTVHHO-UHFFFAOYSA-N;128.22;1.8;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC1_SNda";;;;;;;2.91;;0.57;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM440878;MM440878;CC#CCC1CC1CC#N;PQMCXGHSOICEHV-UHFFFAOYSA-N;133.19;1.95;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4_SC5";;;;;;;2.97;;0.45;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM440879;MM440879;C#CC(C#C)=CCCCC;REMCGSXSKISNBF-UHFFFAOYSA-N;132.21;2.37;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1_C5";;;;;;;3.68;;0.46;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM440880;MM440880;C=C1C(OC)=CCC1CN;HVZMMIWSVRTBMJ-UHFFFAOYSA-N;139.2;1.05;;;;;DOPC;MDCG;27;1;"MARTINI bead: SC4_SNd";;;;;;;2.2;;-2.16;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM440881;MM440881;N#CC=C1C=CC(=NO)C1;DTOOBNINFULEHN-UHFFFAOYSA-N;134.14;1.23;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNda_SC5";;;;;;;1.64;;0.05;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM440882;MM440882;CC(C#N)=CC1NC1C#N;SGBMAPQOACVSMB-UHFFFAOYSA-N;133.15;0.32;;;;;DOPC;MDCG;27;0;"MARTINI bead: N0_SP2";;;;;;;0.06;;-2.21;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM440883;MM440883;C=C1NC(=N)C(F)=C1N;SQRHGNVIBQZMEX-UHFFFAOYSA-N;127.12;0.22;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP1_SNd";;;;;;;0.04;;-2.63;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM440884;MM440884;C#CC(C#C)=CCCCN;DDGYTDSSYRPVAS-UHFFFAOYSA-N;133.19;0.92;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_C5";;;;;;;1.64;;-2.69;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM440885;MM440885;CC#CCC1CC1OC=O;NRYKZTBWIXRZMB-UHFFFAOYSA-N;138.17;0.96;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC3_P1";;;;;;;1.74;;0.29;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM440886;MM440886;C=C1C(CN)=CCC1NC;NBGZUFZAHDGJGK-UHFFFAOYSA-N;138.21;0.42;;;;;DOPC;MDCG;27;1;"MARTINI bead: SNd_SNd";;;;;;;0.87;;-4.66;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM440887;MM440887;CC(C=O)=CC1CN1C=N;MNFBASUMKWTXIT-UHFFFAOYSA-N;138.17;0.42;;;;;DOPC;MDCG;27;1;"MARTINI bead: Na_SP2";;;;;;;-0.24;;-5.92;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM440888;MM440888;C=NN=C1C=CC(=CC)C1;MQAAVVFFGGTCPT-UHFFFAOYSA-N;134.18;1.95;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC3_SC5";;;;;;;3.34;;0.48;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM440889;MM440889;CC1=CC(=O)N(C)CC1;ZEXHPIZOYGXMDN-UHFFFAOYSA-N;125.17;0.79;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNda_SN0";;;;;;;1.17;;-1.13;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM440890;MM440890;C=C1C(CC)=CCC1OC;BPCLWRQXCQFLLP-UHFFFAOYSA-N;138.21;2.3;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC1_SC5";;;;;;;3.68;;0.46;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM440891;MM440891;C=NOC1CC1CC#CC;BAOVNAHRYPIWSP-UHFFFAOYSA-N;137.18;1.42;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4_SNa";;;;;;;2.2;;0.34;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM440892;MM440892;C#CCC=NNC=CC#N;WDZZJAJBWMTSAS-UHFFFAOYSA-N;133.15;0.62;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nd_N0";;;;;;;1.17;;-1.04;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM440893;MM440893;CC(C=O)=CC1CN1C=O;FEMSWAWDZCRHRQ-UHFFFAOYSA-N;139.15;-0.03;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_SP2";;;;;;;-0.24;;-3.24;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM440894;MM440894;C#CC(F)C(=NN)OCC;YQELPAIOOOSARG-UHFFFAOYSA-N;144.15;0.27;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda_Na";;;;;;;0.87;;-1.99;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM440895;MM440895;Cc1nc(=N)onc1N;ITSMSBKCKKHKBV-UHFFFAOYSA-N;126.12;-0.56;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP2_SP3";;;;;;;-2.2;;-5.19;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM440896;MM440896;C=C1C(OC)=CCC1OC;BECMPUKNCKSZOW-UHFFFAOYSA-N;140.18;1.49;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC5_SC4";;;;;;;2.97;;0.45;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM440897;MM440897;C#CC(C#C)=CCCOC;OZUJTIAVYDDTHN-UHFFFAOYSA-N;134.18;1.22;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_C5";;;;;;;1.64;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM440898;MM440898;CC#CCC1NC1CC#N;GQYZUDADZHHFJT-UHFFFAOYSA-N;134.18;0.65;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4_SP2";;;;;;;1.09;;-0.37;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM440899;MM440899;C=NN1CC1C=C(C)C=O;OVVSNUYHOCWZTF-UHFFFAOYSA-N;138.17;0.43;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_SP2";;;;;;;-0.24;;-3.24;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM440900;MM440900;C=CC=C1C=CC(=NC)N1;HAQIWIHTOLLJQW-UHFFFAOYSA-N;134.18;1.24;;;;;DOPC;MDCG;27;1;"MARTINI bead: SNd_SC5";;;;;;;1.64;;-2.14;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM440901;MM440901;CC=C(CC)CC1CC1F;NFLABIOHAJTCHJ-UHFFFAOYSA-N;142.22;3.09;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1_SNa";;;;;;;2.91;;0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM440902;MM440902;CCc1c[nH]c(CC)c1O;SCHIVTBHEKFQJY-UHFFFAOYSA-N;139.2;1.85;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC5_SNda";;;;;;;1.64;;0.05;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM440903;MM440903;C#CC(C#C)=CCOCC;UCIVRNWMQWRADM-UHFFFAOYSA-N;134.18;1.22;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_C5";;;;;;;1.64;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM440904;MM440904;CC#CCC1CN1CC#N;JPUSYABZMMJKJS-UHFFFAOYSA-N;134.18;0.61;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4_SP1";;;;;;;1.37;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM440905;MM440905;C=NN1CC1C=C(C)C#N;XOYURUAGJFTIGG-UHFFFAOYSA-N;135.17;0.76;;;;;DOPC;MDCG;27;0;"MARTINI bead: N0_SP2";;;;;;;0.06;;-2.21;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM440906;MM440906;CN=C1C=CC(=CC=O)N1;JKINDDUUEOBHGS-UHFFFAOYSA-N;136.15;0.26;;;;;DOPC;MDCG;27;1;"MARTINI bead: SNd_SNa";;;;;;;0.87;;-3.56;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM440907;MM440907;CCC(=CF)CC1CC1F;DHNCMRUGBDNKGR-UHFFFAOYSA-N;146.18;3;;;;;DOPC;MDCG;27;0;"MARTINI bead: C2_SNa";;;;;;;2.83;;0.35;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM440908;MM440908;C#CC(C#C)=COCCC;AHNDVSDDRQNXHK-UHFFFAOYSA-N;134.18;1.56;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_C5";;;;;;;1.64;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM440909;MM440909;CCc1[nH]cc(CO)c1O;XEFJMPPLUQCAGR-UHFFFAOYSA-N;141.17;0.78;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNda_SNda";;;;;;;0.87;;-2.07;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM440910;MM440910;CC#CCN1CC1CC#N;FOSHPSOBGJXLGF-UHFFFAOYSA-N;134.18;0.61;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nd_SP2";;;;;;;-0.24;;-3.16;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM440911;MM440911;C=CC(F)=CC1CN1N=C;DXKQFYQISBAVDT-UHFFFAOYSA-N;140.16;1.33;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4_SP2";;;;;;;1.09;;-0.38;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM440912;MM440912;CN=C1C=CC(=CC#N)N1;QYXHYNOEEMNFBP-UHFFFAOYSA-N;133.15;0.58;;;;;DOPC;MDCG;27;1;"MARTINI bead: SNd_SN0";;;;;;;1.17;;-2.48;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM440913;MM440913;CC=C(CN)CC1CC1F;TUJBACVEPFBIHQ-UHFFFAOYSA-N;143.21;1.64;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_SNa";;;;;;;0.87;;-4.13;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM440914;MM440914;CCc1c[nH]c(CO)c1O;ASNNBEYXJQXIIX-UHFFFAOYSA-N;141.17;0.78;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNda_SNda";;;;;;;0.87;;-2.07;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM440915;MM440915;C#CCC1CC1CC#CC;ONUGVMWEYWDFMG-UHFFFAOYSA-N;132.21;2.06;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4_SC4";;;;;;;3.53;;0.53;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM440916;MM440916;C=NN1CC1C=C(F)C#N;NBVBNUPTCVAERA-UHFFFAOYSA-N;139.13;0.66;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_SP2";;;;;;;0.54;;-1.09;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM440917;MM440917;C#CC(C#C)=COCCF;NMMFZHKYUWWZIZ-UHFFFAOYSA-N;138.14;1.12;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_N0";;;;;;;1.17;;-1.18;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM440918;MM440918;OCC(=CF)CC1CC1F;GSDOTUUJEZRFGQ-UHFFFAOYSA-N;148.15;1.58;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda_SNa";;;;;;;0.87;;-1.99;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM440919;MM440919;C=CC=C1C=CC(=NO)N1;UIMMVNYAVMMSGE-UHFFFAOYSA-N;136.15;1;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP1_SC5";;;;;;;0.81;;-0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM440920;MM440920;C#CCC1OC1CC#CC;ZJJLLCQZBDEKSI-UHFFFAOYSA-N;134.18;1.19;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4_SNa";;;;;;;2.2;;0.34;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM440921;MM440921;CCc1[nH]cc(OC)c1O;YIMMYCJEISRXBJ-UHFFFAOYSA-N;141.17;1.29;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNda_SNa";;;;;;;0.87;;-1.99;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM440922;MM440922;C=CC1CN1C=C(C)C=O;HMAIITAGJBATFM-UHFFFAOYSA-N;137.18;0.96;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_SP1";;;;;;;0.04;;-2.54;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM440923;MM440923;O=CC=C1C=CC(=NO)N1;LFVLGZLZNQMZBN-UHFFFAOYSA-N;138.13;0.02;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP1_SNa";;;;;;;0.04;;-2.54;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM440924;MM440924;C#CC(C#C)=COCOC;RJWZYWFQWARVNI-UHFFFAOYSA-N;136.15;0.76;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_C5";;;;;;;0.54;;-1.09;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM440925;MM440925;CCC(CC1CC1C)=NN;MMHRWHJVHGMTAT-UHFFFAOYSA-N;140.23;1.76;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_SC5";;;;;;;2.41;;0.64;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM440926;MM440926;C#CCC1CN1CC#CC;TZKXSFLYTGYYSM-UHFFFAOYSA-N;133.19;0.72;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nd_SP1";;;;;;;0.04;;-2.63;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM440927;MM440927;C=C1C(CC)=NNC1CC;QHEYDLYDLKDDGA-UHFFFAOYSA-N;138.21;1.69;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNd_SN0";;;;;;;1.17;;-1.04;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM440928;MM440928;C#CC(C#C)=NNCCC;UNMMINVLFSDSFR-UHFFFAOYSA-N;134.18;0.61;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nd_N0";;;;;;;1.17;;-1.04;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM440929;MM440929;CC(C=O)=CN1CC1C#N;HXGTTXYKXMSVAT-UHFFFAOYSA-N;136.15;0.3;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_SP2";;;;;;;-0.24;;-3.24;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM440930;MM440930;N#CC=C1C=CC(=NO)N1;HKLKDILCZYYXJH-UHFFFAOYSA-N;135.13;0.34;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP1_SN0";;;;;;;0.34;;-1.53;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM440931;MM440931;CCC(CC1CC1C)=NO;FPOOFHZDFDLNOX-UHFFFAOYSA-N;141.21;2.27;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda_SC5";;;;;;;1.64;;0.05;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM440932;MM440932;CC=CC1CC1CCCC;AMVNMEPCEVMXEM-UHFFFAOYSA-N;138.25;3.39;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1_SC3";;;;;;;4.61;;0.31;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM440933;MM440933;CC=C1C=CC(NC=N)=N1;DUWGYSKCUDIVOF-UHFFFAOYSA-N;135.17;1.06;;;;;DOPC;MDCG;27;1;"MARTINI bead: SC5_SP1";;;;;;;0.81;;-1.78;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM440934;MM440934;C=C1C(CC)=NNC1CN;XEWXJYYDCIRSLO-UHFFFAOYSA-N;139.2;0.24;;;;;DOPC;MDCG;27;1;"MARTINI bead: SN0_SP1";;;;;;;0.34;;-3.11;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM440935;MM440935;C=CC(C)=NN1CC1C=C;QHDVJMCIYQMULH-UHFFFAOYSA-N;136.2;1.42;;;;;DOPC;MDCG;27;0;"MARTINI bead: N0_SP1";;;;;;;0.34;;-1.53;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM440936;MM440936;CC1CC1CC(CN)=NO;UAPNMPBUALHLND-UHFFFAOYSA-N;142.2;0.82;;;;;DOPC;MDCG;27;1;"MARTINI bead: SC5_P2";;;;;;;0.54;;-2.26;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM440937;MM440937;C#CC(C#C)=NOCCC;OEDFUANAPLBQPQ-UHFFFAOYSA-N;135.17;1.04;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_N0";;;;;;;1.17;;-1.18;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM440938;MM440938;CC=CC1CC1CCCF;VQDLVUNRMHCDGO-UHFFFAOYSA-N;142.22;2.95;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC3_C4";;;;;;;3.9;;0.47;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM440939;MM440939;C=CC1CN1N=C(C)C=O;ZTDLITLUUBIUKJ-UHFFFAOYSA-N;138.17;0.43;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_SP1";;;;;;;-1.06;;-3.82;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM440940;MM440940;CC#CC(=O)CC1CN1C;DYPDRFGKYPWCSJ-UHFFFAOYSA-N;137.18;0.28;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_SP1";;;;;;;0.04;;-2.54;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM440941;MM440941;N=CNC1=NC(=CF)C=C1;BQSTWWVSTTXMFV-UHFFFAOYSA-N;139.13;0.96;;;;;DOPC;MDCG;27;1;"MARTINI bead: SC5_SP1";;;;;;;0.81;;-1.65;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM440942;MM440942;C#CC(C#C)=NOCCF;WGUXTPVTYQMZOZ-UHFFFAOYSA-N;139.13;0.59;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_Na";;;;;;;0.87;;-2.22;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM440943;MM440943;NN=c1cc(N)nno1;PJNNILFKQYXVHW-UHFFFAOYSA-N;127.11;-1.57;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP2_SP2";;;;;;;-1.34;;-4.31;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM440944;MM440944;CCCCC1CC1C=NO;NAJBYKMRTOIYMU-UHFFFAOYSA-N;141.21;2.27;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1_SNda";;;;;;;2.91;;0.57;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM440945;MM440945;C=CC1CN1N=C(C)C#N;IAFNVQCZWAEDKC-UHFFFAOYSA-N;135.17;0.76;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_SP1";;;;;;;-0.79;;-3.13;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM440946;MM440946;N#CC(=N)NN(C=O)C=O;NKYIJQDBRLWKCF-UHFFFAOYSA-N;140.1;-1.39;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_P3";;;;;;;-1.93;;-4.72;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM440947;MM440947;C#CC(C#C)=CCCC=C;DISMRJNIPVNTEX-UHFFFAOYSA-N;130.19;2.15;;;;;DOPC;MDCG;27;0;"MARTINI bead: C3_C5";;;;;;;3.34;;0.48;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM440948;MM440948;CC1CC1CC(CO)=NO;QNFRDLVUAFOBBX-UHFFFAOYSA-N;143.19;0.86;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC5_P2";;;;;;;0.54;;-1.09;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM440949;MM440949;C=C(OC)C(=NN)OCC;NPHFZNRJNCICIF-UHFFFAOYSA-N;144.17;0.46;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda_Na";;;;;;;0.87;;-1.99;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM440950;MM440950;CC=CC1CC1COCC;DTJPBOWCMJDMHE-UHFFFAOYSA-N;140.23;2.24;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_SC3";;;;;;;2.57;;0.45;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM440951;MM440951;C=CC(C)=NN1CC1C#N;FVIDNAIEIYKGLO-UHFFFAOYSA-N;135.17;0.76;;;;;DOPC;MDCG;27;0;"MARTINI bead: N0_SP2";;;;;;;0.06;;-2.21;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM440952;MM440952;C#CC(C#C)=CCCC=O;AJLAEVRGYPNHMA-UHFFFAOYSA-N;132.16;1.16;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_C5";;;;;;;1.64;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM440953;MM440953;C=C1C(CN)=COC1CC;QJERDXUZUXOPIT-UHFFFAOYSA-N;139.2;1.19;;;;;DOPC;MDCG;27;1;"MARTINI bead: SC5_SP1";;;;;;;0.81;;-2.6;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM440954;MM440954;CCC(CC1CC1N)=NO;MUTHFTAFVBTVBW-UHFFFAOYSA-N;142.2;0.96;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nda_SP1";;;;;;;0.04;;-5.21;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM440955;MM440955;C=COC(=NN)C(=C)OC;WZADBYBJHVOAOB-UHFFFAOYSA-N;142.16;0.58;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_Nda";;;;;;;0.87;;-1.99;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM440956;MM440956;CC=CC1CC1NCCN;PPERLLQZJPTCEK-UHFFFAOYSA-N;140.23;0.5;;;;;DOPC;MDCG;27;1;"MARTINI bead: SC3_P3";;;;;;;0.6;;-3.2;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM440957;MM440957;C#CC(C)=CC1CC1C#N;LULVSEGMSIMZAG-UHFFFAOYSA-N;131.18;1.73;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_SN0";;;;;;;1.94;;0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM440958;MM440958;C#CC(C#C)=CCNC=N;HCLCXTQZVIDLDK-UHFFFAOYSA-N;132.17;0.38;;;;;DOPC;MDCG;27;1;"MARTINI bead: P3_C5";;;;;;;-0.33;;-5.78;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM440959;MM440959;NCC(CC1CC1N)=NO;CEGHISPRTILUAZ-UHFFFAOYSA-N;143.19;-0.49;;;;;DOPC;MDCG;27;1;"MARTINI bead: P2_SP1";;;;;;;-1.06;;-6.8;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM440960;MM440960;C=C1C(CO)=COC1CC;DRVHKFXGIZABHU-UHFFFAOYSA-N;140.18;1.23;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC5_SNda";;;;;;;1.64;;0.05;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM440961;MM440961;C#CC(C)C(C#N)=NOC;OMRZYFPINPHNGC-UHFFFAOYSA-N;136.15;0.78;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_P2";;;;;;;0.54;;-1.09;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM440962;MM440962;CC=CC1CC1NCCO;NUBYMECVUAFJNS-UHFFFAOYSA-N;141.21;0.53;;;;;DOPC;MDCG;27;1;"MARTINI bead: SC3_P2";;;;;;;1.46;;-2.19;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM440963;MM440963;C#CC(F)=CC1CC1C=C;RNCPVFNHRUSHOS-UHFFFAOYSA-N;136.17;2.3;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_SC4";;;;;;;2.97;;0.45;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM440964;MM440964;C#CC(C#C)=CCNC=O;CLMCGLLFNORIQZ-UHFFFAOYSA-N;133.15;-0.07;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda_P1";;;;;;;0.04;;-2.73;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM440965;MM440965;NC1CC1CC(CO)=NO;BCULLPADPAPVJK-UHFFFAOYSA-N;144.17;-0.45;;;;;DOPC;MDCG;27;1;"MARTINI bead: SP1_P2";;;;;;;-1.06;;-6.48;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM440966;MM440966;C=C1C(CF)=COC1CC;WMRFJEGTDPJJIK-UHFFFAOYSA-N;142.17;2.2;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC5_SNa";;;;;;;1.64;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM440967;MM440967;C=NNC1=NC(=NO)C=C1;KJXSZHHXTHIIKI-UHFFFAOYSA-N;138.13;-0.05;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNda_SNd";;;;;;;0.87;;-1.92;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM440968;MM440968;CC=CC1OC1COCC;SAKMZJGDLACGJW-UHFFFAOYSA-N;142.2;1.37;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_SNa";;;;;;;0.87;;-2.22;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM440969;MM440969;CCCC(O)CC1CC1;YDJYYGKSQWTGLC-UHFFFAOYSA-N;128.22;1.95;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda_SC5";;;;;;;1.64;;0.05;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM440970;MM440970;C#CC(C#C)=CCNN=C;WUARHUPMSXHMNR-UHFFFAOYSA-N;132.17;0.38;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_C5";;;;;;;0.54;;-1.09;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM440971;MM440971;C#CC(C)=CC1NC1C#N;YVCUULYYHWKWHJ-UHFFFAOYSA-N;132.17;0.43;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_SP2";;;;;;;0.54;;-1.09;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM440972;MM440972;C=C1C(CC)=COC1CN;FIJVAXZLGIHTCT-UHFFFAOYSA-N;139.2;1.19;;;;;DOPC;MDCG;27;1;"MARTINI bead: SC5_SP1";;;;;;;0.81;;-2.48;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM440973;MM440973;C=CC=C1C=NC(=NC)N1;XHSJAGSBBMCDOG-UHFFFAOYSA-N;135.17;0.72;;;;;DOPC;MDCG;27;1;"MARTINI bead: SP1_SNd";;;;;;;0.04;;-4.53;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM440974;MM440974;CN=CN1CC1CCCN;YDZPEAAPNKIKTD-UHFFFAOYSA-N;141.22;0.07;;;;;DOPC;MDCG;27;1;"MARTINI bead: SP1_Nd";;;;;;;0.04;;-5.46;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM440975;MM440975;C#CC(C#C)=CCOC=C;MLRGQZYLWIZUQP-UHFFFAOYSA-N;132.16;1.34;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_C5";;;;;;;1.64;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM440976;MM440976;CCC(CC1CC1O)=NO;ZLCDDIFYMWLFNC-UHFFFAOYSA-N;143.19;1;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda_SP1";;;;;;;0.04;;-2.73;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM440977;MM440977;C#CC(F)=CC1OC1C=C;WGGPUIWBMFEWQZ-UHFFFAOYSA-N;138.14;1.43;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_SNa";;;;;;;1.64;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM440978;MM440978;C=C1C(CC)=COC1CO;KWOVPEUFBOGZNV-UHFFFAOYSA-N;140.18;1.23;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC5_SNda";;;;;;;1.64;;0.05;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM440979;MM440979;CN=C1N=CC(=CC=O)N1;WFSMFERMXZZJGJ-UHFFFAOYSA-N;137.14;-0.27;;;;;DOPC;MDCG;27;1;"MARTINI bead: SP1_SP1";;;;;;;-0.79;;-4.38;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM440980;MM440980;CN=CN1CC1CCCO;HSRGMNPBJSJHMA-UHFFFAOYSA-N;142.2;0.1;;;;;DOPC;MDCG;27;1;"MARTINI bead: SP1_Nda";;;;;;;0.04;;-5.29;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM440981;MM440981;C#CC(C#C)=CCOC=O;CHJREDHCMOPJKV-UHFFFAOYSA-N;134.13;0.35;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_C5";;;;;;;0.81;;-0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM440982;MM440982;CC12CC1(O)CC1CC12;QDFVGXNVYKKBAB-UHFFFAOYSA-N;124.18;1.17;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNda_SC4";;;;;;;2.2;;0.49;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM440983;MM440983;C#CC(C)=CC1CN1C=N;HHIHNLBSWFJPFQ-UHFFFAOYSA-N;134.18;0.86;;;;;DOPC;MDCG;27;1;"MARTINI bead: C5_SP2";;;;;;;0.54;;-3.76;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM440984;MM440984;C=C1C(CC)=NOC1CC;VSXPSEBMYULRMS-UHFFFAOYSA-N;139.2;2.12;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC5_SC5";;;;;;;2.41;;0.64;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM440985;MM440985;C=CC=C1C=NC(=NO)N1;NBPIFNQSMLPSEG-UHFFFAOYSA-N;137.14;0.48;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP2_SN0";;;;;;;0.06;;-2.21;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM440986;MM440986;CNCCC1CN1C=NN;OPXYEFJUDUYXNP-UHFFFAOYSA-N;142.21;-0.82;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_SP2";;;;;;;-0.24;;-5.31;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM440987;MM440987;CCC(CC1CC1F)=NN;QFULOXPDYFGCDT-UHFFFAOYSA-N;144.19;1.46;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_SNa";;;;;;;1.64;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM440988;MM440988;C#CC(C#C)=CCON=C;BUKVEPJHEWFDCT-UHFFFAOYSA-N;133.15;0.81;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_C5";;;;;;;0.81;;-0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM440989;MM440989;C#CC(F)=CC1CN1C=N;IIOBRQMMYXDRMC-UHFFFAOYSA-N;138.15;0.76;;;;;DOPC;MDCG;27;1;"MARTINI bead: C5_SP2";;;;;;;0.54;;-3.7;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM440990;MM440990;O=CC=C1C=NC(=NO)N1;BSGGDSOOPLZYLW-UHFFFAOYSA-N;139.11;-0.51;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP2_SP1";;;;;;;-1.06;;-3.82;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM440991;MM440991;O=c1c(F)n[nH]n1O;DRQOTNRBOGSTRJ-UHFFFAOYSA-N;119.06;-1.05;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP3_SP1";;;;;;;-1.93;;-9.08;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM440992;MM440992;CC=NN1CC1CCCC;MFMLULPXVWTESQ-UHFFFAOYSA-N;140.23;1.87;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1_SP1";;;;;;;2.08;;0.48;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM440993;MM440993;C#CC(C)=CC1CN1N=C;XTLUXBJFSIFSLJ-UHFFFAOYSA-N;134.18;0.87;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_SP2";;;;;;;0.54;;-1.09;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM440994;MM440994;C#CC(C#C)=COCC=C;DWBDQNKBNIKFOK-UHFFFAOYSA-N;132.16;1.34;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_C5";;;;;;;1.64;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM440995;MM440995;CCC(CC1CC1F)=NO;LYYCUALJIWEKDY-UHFFFAOYSA-N;145.18;1.97;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda_SNa";;;;;;;0.87;;-1.99;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM440996;MM440996;CCc1con(CC)c1=N;OPHJUOVFYQSTJT-UHFFFAOYSA-N;140.19;1.14;;;;;DOPC;MDCG;27;1;"MARTINI bead: SN0_SP1";;;;;;;0.34;;-3.42;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM440997;MM440997;NN=CON(C=O)CCF;MFOPUKQKTWVKGT-UHFFFAOYSA-N;149.13;-0.75;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_P2";;;;;;;-1.06;;-3.82;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM440998;MM440998;CC=NN1CC1CCCN;MZMAWRCBOJFSPC-UHFFFAOYSA-N;141.22;0.42;;;;;DOPC;MDCG;27;1;"MARTINI bead: SP1_Nd";;;;;;;0.04;;-5.42;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM440999;MM440999;C#CC(F)=CC1CN1N=C;WKLWHGVUMWGUGL-UHFFFAOYSA-N;138.15;0.77;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_SP2";;;;;;;0.54;;-1.09;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM441000;MM441000;C#Cc1noc(C)c1N;WOJFCDCQUDCEIY-UHFFFAOYSA-N;122.13;0.55;;;;;DOPC;MDCG;27;0;"MARTINI bead: SN0_SNda";;;;;;;1.17;;-1.13;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM441001;MM441001;C#CC(C#C)=COCC=O;XHNNUUHWWRHHET-UHFFFAOYSA-N;134.13;0.35;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_C5";;;;;;;0.54;;-1.09;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM441002;MM441002;CCn1occ(CN)c1=N;XAEFLLQWBXCPFU-UHFFFAOYSA-N;141.17;0.04;;;;;DOPC;MDCG;27;1;"MARTINI bead: SP1_SP1";;;;;;;-0.79;;-4.79;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM441003;MM441003;N=CC1=CNC(=CC=O)N1;OJIXJXZIWWZIER-UHFFFAOYSA-N;137.14;-0.29;;;;;DOPC;MDCG;27;1;"MARTINI bead: SP3_SP1";;;;;;;-1.93;;-8.44;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM441004;MM441004;C=CN=C(C#N)NCC#N;CVVNUMPZKUVGNR-UHFFFAOYSA-N;134.14;0.17;;;;;DOPC;MDCG;27;0;"MARTINI bead: N0_P1";;;;;;;0.34;;-1.53;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM441005;MM441005;CN=C(CC1CC1C)NC;DYBHYIVAEZTLCH-UHFFFAOYSA-N;140.23;1.28;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_SC5";;;;;;;1.64;;-4.62;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM441006;MM441006;C#CC1CC1C=C(C)OC;WHOPLBCVTYQZRW-UHFFFAOYSA-N;136.19;1.81;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_SC5";;;;;;;2.41;;0.64;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM441007;MM441007;C#CC(C#C)=NOCC=C;UOTNXXYQUQGXGB-UHFFFAOYSA-N;133.15;0.81;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_N0";;;;;;;1.17;;-1.18;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM441008;MM441008;CCc1non(CC)c1=N;BQXJYZJRUUOCGE-UHFFFAOYSA-N;141.17;0.54;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNa_SP2";;;;;;;-0.24;;-3.24;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM441009;MM441009;C#CCNC(C=O)C=CF;XUFQFQHEGCABDC-UHFFFAOYSA-N;141.15;0.26;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_N0";;;;;;;0.06;;-2.21;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM441010;MM441010;CC=NN1CC1COCC;HGQQTPQNEYTEFM-UHFFFAOYSA-N;142.2;0.71;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_SP1";;;;;;;0.04;;-2.54;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM441011;MM441011;C#CC1NC1C=C(C)CN;KWVSTFULDSYIGV-UHFFFAOYSA-N;136.2;-0.14;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_SP3";;;;;;;-1.1;;-6.17;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM441012;MM441012;CN=C(CC1CC1C)NN;SBJXRJAKHYGMNQ-UHFFFAOYSA-N;141.22;0.52;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_SC5";;;;;;;1.64;;-2.95;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM441013;MM441013;C#CCCC=C(C#C)C#C;YCBQIMVMXSYXMI-UHFFFAOYSA-N;128.17;1.59;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_C5";;;;;;;2.41;;0.64;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM441014;MM441014;CCC(=O)C(C)NCC#N;LWOOFDUJZJYQCW-UHFFFAOYSA-N;140.19;0.47;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_P2";;;;;;;-0.24;;-3.24;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM441015;MM441015;CNC1=NC(=CC#N)N=C1;SCDZHHWTWKIYGT-UHFFFAOYSA-N;134.14;0.05;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP1_SN0";;;;;;;0.34;;-1.53;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM441016;MM441016;C#CC(C#CC)=NNC=N;YVBIWNIYLCKXSA-UHFFFAOYSA-N;133.15;0.2;;;;;DOPC;MDCG;27;0;"MARTINI bead: P4_C3";;;;;;;0.52;;-1.59;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM441017;MM441017;C=CC(=NN)OCC=CF;DSFHSPPVSUCXPZ-UHFFFAOYSA-N;144.15;0.94;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda_C4";;;;;;;2.2;;0.49;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM441018;MM441018;CN=C(CC1CC1C)NO;JXUVYSKJVFNPGV-UHFFFAOYSA-N;142.2;1.04;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nda_SC5";;;;;;;1.64;;-1.72;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM441019;MM441019;C#CCOC=C(C#C)C#C;GUKMLAZCXMKGTI-UHFFFAOYSA-N;130.15;0.79;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_N0";;;;;;;1.17;;-1.18;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM441020;MM441020;CCn1onc(CF)c1=N;YSBWOSOHBBTIOJ-UHFFFAOYSA-N;145.14;0.44;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP2_SNa";;;;;;;-0.24;;-3.24;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM441021;MM441021;N#CC=C1N=CC(=NO)N1;KJQOKQNNTJDVBW-UHFFFAOYSA-N;136.11;-0.19;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP2_SP1";;;;;;;-1.06;;-3.82;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM441022;MM441022;CC=CC1CC1CCC=O;JGEMCMALBHWKTB-UHFFFAOYSA-N;138.21;2.18;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC3_Na";;;;;;;2.57;;0.45;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM441023;MM441023;CN=C(CC1CC1N)NC;FJVXYZVVQRPELU-UHFFFAOYSA-N;141.22;-0.03;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_SP1";;;;;;;0.04;;-7.26;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM441024;MM441024;C#CC1NC1C=C(C)CF;MMYAGJZGJZIUAP-UHFFFAOYSA-N;139.17;0.88;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4_SP3";;;;;;;0.23;;-1.03;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM441025;MM441025;C#CCON=C(C#C)C#C;QDOVTYPPFYXOBJ-UHFFFAOYSA-N;131.13;0.26;;;;;DOPC;MDCG;27;0;"MARTINI bead: N0_Na";;;;;;;1.17;;-1.18;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM441026;MM441026;CC=CN(C=O)OC=NN;PXJBFAUCHDPLAB-UHFFFAOYSA-N;143.15;-0.19;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4_P3";;;;;;;0.23;;-1.03;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM441027;MM441027;CCc1non(CC)c1=O;UPNUXIDMZLYTPJ-UHFFFAOYSA-N;142.16;0.42;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNa_SP2";;;;;;;-0.24;;-3.24;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM441028;MM441028;CC=CC1CC1CCC#N;SJZNIDCRANZXNT-UHFFFAOYSA-N;135.21;2.5;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC3_P1";;;;;;;1.74;;0.29;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM441029;MM441029;C#CC1OC1C=C(C)CN;GOWVZWZOYIPIED-UHFFFAOYSA-N;137.18;0.29;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_SNa";;;;;;;0.87;;-4.14;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM441030;MM441030;CN=C(CC1CC1O)NC;CVOZUZQJRUIGBR-UHFFFAOYSA-N;142.2;;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_SP1";;;;;;;0.04;;-7.25;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM441031;MM441031;CC=CCC=C(CC)CC;UFWWMBORZINOGH-UHFFFAOYSA-N;138.25;3.7;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1_C2";;;;;;;4.87;;0.53;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM441032;MM441032;C=CC=c1ccc(=CF)o1;IIHCTHKFPRFQBK-UHFFFAOYSA-N;138.14;0.95;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC4_SN0";;;;;;;2.5;;0.44;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM441033;MM441033;CC#CCCC(=NN)OC;LRFFWXQUPMZWBJ-UHFFFAOYSA-N;140.19;0.71;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda_C4";;;;;;;2.2;;0.49;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM441034;MM441034;CC=CC1CC1OCC#N;KXIYURKJUGCRAR-UHFFFAOYSA-N;137.18;1.49;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC3_P1";;;;;;;1.74;;0.29;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM441035;MM441035;CCn1onc(CO)c1=O;LGLMYJWSTXFFJH-UHFFFAOYSA-N;144.13;-0.65;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP2_SP1";;;;;;;-1.06;;-3.82;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM441036;MM441036;CN=C(CC1CC1O)NN;ZVGPASCWOASTOJ-UHFFFAOYSA-N;143.19;-0.75;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_SP1";;;;;;;0.04;;-5.63;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM441037;MM441037;N#CC=c1ccc(=CF)o1;UVOIQNSLFCPQTJ-UHFFFAOYSA-N;137.11;0.29;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC5_SN0";;;;;;;1.94;;0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM441038;MM441038;C#CC1CC1C=C(C)C=C;BYXKFLUWUHXKIF-UHFFFAOYSA-N;132.21;2.39;;;;;DOPC;MDCG;27;0;"MARTINI bead: C3_SC5";;;;;;;3.34;;0.48;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM441039;MM441039;C=CCCC1OC1C=CC;KQHJBSIPPIAVFP-UHFFFAOYSA-N;138.21;2.3;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNa_C3";;;;;;;2.57;;0.45;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM441040;MM441040;CCn1onc(CF)c1=O;LIFMSZHRLDJOOV-UHFFFAOYSA-N;146.12;0.33;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP2_SNa";;;;;;;-0.24;;-3.24;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM441041;MM441041;CN=C(CC1CC1O)NO;AGZMLGREHWIQQN-UHFFFAOYSA-N;144.17;-0.24;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nda_SP1";;;;;;;0.04;;-4.51;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM441042;MM441042;C=CCCC1CN1C=NC;USLRFWZYOKTGBB-UHFFFAOYSA-N;138.21;1.29;;;;;DOPC;MDCG;27;1;"MARTINI bead: SP1_C3";;;;;;;1.74;;-1.88;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM441043;MM441043;C#CC1CC1C=C(C)C=O;QYTMEMYCTPJHPO-UHFFFAOYSA-N;134.18;1.4;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_SC5";;;;;;;1.64;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM441044;MM441044;NN=CON(C=O)C=CF;KFIWXXAVQUPYQM-UHFFFAOYSA-N;147.11;-0.28;;;;;DOPC;MDCG;27;0;"MARTINI bead: P3_C5";;;;;;;-0.33;;-2.01;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM441045;MM441045;CCn1onc(OC)c1=N;AUGOJHHQTZKXFZ-UHFFFAOYSA-N;143.15;-0.02;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP2_SNa";;;;;;;-0.24;;-3.24;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM441046;MM441046;CN=C(CC1CC1F)NC;KUMKRQYCRABUJL-UHFFFAOYSA-N;144.19;0.98;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_SNa";;;;;;;0.87;;-6.54;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM441047;MM441047;CN=CN1CC1CCC=O;JTFHADPQAWQPFC-UHFFFAOYSA-N;140.19;0.31;;;;;DOPC;MDCG;27;1;"MARTINI bead: SP1_Na";;;;;;;0.04;;-5.09;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM441048;MM441048;CCn1onc(OC)c1=O;HUMOSKISQKCIHJ-UHFFFAOYSA-N;144.13;-0.14;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP2_SNa";;;;;;;-0.24;;-3.24;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM441049;MM441049;C#CC1CC1C=C(F)C#N;WVJXXWXXUKUHDK-UHFFFAOYSA-N;135.14;1.63;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_SC5";;;;;;;2.41;;0.64;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM441050;MM441050;C=CC=C1C=CC(=NO)O1;UDPMSHSXTOAJRS-UHFFFAOYSA-N;137.14;1.43;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP1_SC5";;;;;;;0.81;;-0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM441051;MM441051;CN=C(CC1CC1F)NN;GWJUDNWBTVFCRI-UHFFFAOYSA-N;145.18;0.23;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_SNa";;;;;;;0.87;;-4.88;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM441052;MM441052;CCc1non(NC)c1=N;REHXSKNPQJSELR-UHFFFAOYSA-N;142.16;-0.31;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNa_SP2";;;;;;;-0.24;;-3.24;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM441053;MM441053;C#CC1NC1C=C(F)C=C;SRBXCUVFFLEVOH-UHFFFAOYSA-N;137.16;1;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4_SP3";;;;;;;0.23;;-1.03;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM441054;MM441054;O=CC=C1C=CC(=NO)O1;SIFQZBLYYVJURA-UHFFFAOYSA-N;139.11;0.44;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP1_SNa";;;;;;;0.04;;-2.54;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM441055;MM441055;CN=CN1CC1CCC#N;YOTUBVMQUXCOKB-UHFFFAOYSA-N;137.19;0.63;;;;;DOPC;MDCG;27;1;"MARTINI bead: SP1_P1";;;;;;;-0.79;;-5.69;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM441056;MM441056;CN=C(CC1CC1F)NO;QKMZWYXRESEYAF-UHFFFAOYSA-N;146.17;0.74;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nda_SNa";;;;;;;0.87;;-3.77;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM441057;MM441057;C=NNC(=NCCC)OC;BOGCMMOKBARSIY-UHFFFAOYSA-N;143.19;0.6;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_P1";;;;;;;0.81;;-0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM441058;MM441058;C=NN=C1C=CC(=CC)O1;AGQJOERSLXVEAX-UHFFFAOYSA-N;136.15;1.49;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC5_SNa";;;;;;;1.64;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM441059;MM441059;C#CC1CN1N=C(C)C=C;DRSBVOKDDKQANF-UHFFFAOYSA-N;134.18;0.87;;;;;DOPC;MDCG;27;0;"MARTINI bead: N0_SP3";;;;;;;-0.8;;-2.99;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM441060;MM441060;CN=CN1CC1CNC=N;GSSZNPRTASTJCE-UHFFFAOYSA-N;140.19;-0.47;;;;;DOPC;MDCG;27;1;"MARTINI bead: SP1_P3";;;;;;;-1.93;;-8.5;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM441061;MM441061;CC=C(CC1CC1C)OC;LKMKXDBSYSZBML-UHFFFAOYSA-N;140.23;2.58;;;;;DOPC;MDCG;27;0;"MARTINI bead: C3_SC5";;;;;;;3.34;;0.48;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM441062;MM441062;CNn1onc(CF)c1=N;SVJGRTVLYZBAKT-UHFFFAOYSA-N;146.13;-0.4;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP2_SNa";;;;;;;-0.24;;-3.24;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM441063;MM441063;C#CC(C)=CC1CC1C#C;OSWWSPKBMQTTJF-UHFFFAOYSA-N;130.19;1.84;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_SC5";;;;;;;2.41;;0.64;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM441064;MM441064;N#CC=C1N=CC(=NO)O1;YOWGIFPGMFELGY-UHFFFAOYSA-N;137.1;0.24;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP2_SP1";;;;;;;-1.06;;-3.82;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM441065;MM441065;C=NNCC1CN1C=NC;JDKKYEQJGFRLMA-UHFFFAOYSA-N;140.19;-0.47;;;;;DOPC;MDCG;27;1;"MARTINI bead: SP1_P2";;;;;;;-1.06;;-6.01;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM441066;MM441066;COC(=CF)CC1CC1C;BQJQFEDWVDVPBA-UHFFFAOYSA-N;144.19;2.49;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_SC5";;;;;;;2.41;;0.64;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM441067;MM441067;CCc1non(NC)c1=O;VODHEFZQLLRVAP-UHFFFAOYSA-N;143.15;-0.43;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNa_SP3";;;;;;;-1.1;;-4.2;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM441068;MM441068;C#CC=C1C=CC(=CC)C1;VSVGHBMPKBCZHH-UHFFFAOYSA-N;130.19;2.45;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC3_SC4";;;;;;;3.9;;0.47;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM441069;MM441069;C#CC(F)=CC1CC1C#C;ODEQXAIDWLBRMW-UHFFFAOYSA-N;134.15;1.74;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_SC5";;;;;;;2.41;;0.64;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM441070;MM441070;C=CCCC1CN1N=CC;HTXGKBRDLOAQQK-UHFFFAOYSA-N;138.21;1.64;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP1_C3";;;;;;;1.74;;0.29;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM441071;MM441071;CC=C(CC1CC1N)OC;NKCXPQNTXRHZDM-UHFFFAOYSA-N;141.21;1.27;;;;;DOPC;MDCG;27;1;"MARTINI bead: C3_SP1";;;;;;;1.74;;-1.95;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM441072;MM441072;CC=C(C=NOC)C(C)=O;NWYYYLVUZQNDQZ-UHFFFAOYSA-N;141.17;1.15;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_C5";;;;;;;0.81;;-0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM441073;MM441073;C#CC=C1C=CC(=CF)C1;IGCUTRFNHZBFHF-UHFFFAOYSA-N;134.15;2.36;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC4_SC4";;;;;;;3.53;;0.53;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM441074;MM441074;CCC1CC(C)C(CC)C1;XFFFKEKIOMGJIM-UHFFFAOYSA-N;140.27;3.47;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC1_SC1";;;;;;;4.95;;0.69;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM441075;MM441075;CC=NN1CC1CNC=N;PUBDEABDIXAZAJ-UHFFFAOYSA-N;140.19;-0.13;;;;;DOPC;MDCG;27;1;"MARTINI bead: SP1_P3";;;;;;;-1.93;;-8.48;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM441076;MM441076;CC=C(CC1CC1O)OC;WSMYNWZRJVTRKQ-UHFFFAOYSA-N;142.2;1.31;;;;;DOPC;MDCG;27;0;"MARTINI bead: C3_SP1";;;;;;;1.74;;0.29;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM441077;MM441077;C#CC=C1C=CC(=NN)C1;NXFXTIJOMROARB-UHFFFAOYSA-N;132.17;0.82;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNd_SC4";;;;;;;2.2;;0.32;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM441078;MM441078;C=CC=NNC(CF)=NC;XRYSNUNJAHUKKF-UHFFFAOYSA-N;143.17;0.75;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_Nd";;;;;;;0.87;;-1.88;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM441079;MM441079;CC#CCOC(CC)=NN;ZIOJSLGTRBIKLZ-UHFFFAOYSA-N;140.19;0.71;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_C4";;;;;;;1.37;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM441080;MM441080;C=NNCC1CN1N=CC;CEWWHHCMJQCSKD-UHFFFAOYSA-N;140.19;-0.12;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP1_P2";;;;;;;-1.06;;-3.82;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM441081;MM441081;CC=C(CC1CC1F)OC;RTWUZQZMEURTRL-UHFFFAOYSA-N;144.19;2.28;;;;;DOPC;MDCG;27;0;"MARTINI bead: C3_SNa";;;;;;;2.57;;0.45;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM441082;MM441082;CNn1onc(OC)c1=N;VNMDMPWNHUHYLO-UHFFFAOYSA-N;144.13;-0.86;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP2_SNa";;;;;;;-0.24;;-3.24;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM441083;MM441083;C#CC=C1C=CC(=NO)C1;HXYAUQIMBQZZFK-UHFFFAOYSA-N;133.15;1.34;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNda_SC4";;;;;;;2.2;;0.49;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM441084;MM441084;CCC1CC(C=O)CC1C;JYOPYHYNTFDQDB-UHFFFAOYSA-N;140.23;2.26;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC1_SNa";;;;;;;2.91;;0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM441085;MM441085;CC=CC1CN1CCC#N;JNWRUQDLQUPCKW-UHFFFAOYSA-N;136.2;1.16;;;;;DOPC;MDCG;27;0;"MARTINI bead: SN0_P2";;;;;;;0.06;;-2.21;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM441086;MM441086;C#CC#CC(=NN)OC;GGTHWHRJCYEMKK-UHFFFAOYSA-N;122.13;-0.46;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_N0";;;;;;;0.34;;-1.53;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM441087;MM441087;C#CC=C1C=CC(=NC)N1;DZBIGNXNSLZUEC-UHFFFAOYSA-N;132.17;0.69;;;;;DOPC;MDCG;27;1;"MARTINI bead: SNd_SN0";;;;;;;1.17;;-2.89;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM441088;MM441088;CNn1onc(OC)c1=O;UWRFYELQWPOPNJ-UHFFFAOYSA-N;145.12;-0.98;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP3_SNa";;;;;;;-1.1;;-4.2;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM441089;MM441089;CCC1CC(C#N)CC1C;LCXJREZQMFGDNL-UHFFFAOYSA-N;137.23;2.58;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC1_SC5";;;;;;;3.68;;0.46;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM441090;MM441090;C#CCCC1CC1C=CC;MSIAMMMVDJWKCN-UHFFFAOYSA-N;134.22;2.61;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC3_C5";;;;;;;3.34;;0.48;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM441091;MM441091;COC(CC1CC1C)=NO;BVTDACMSKHOGMG-UHFFFAOYSA-N;143.19;1.47;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda_SC5";;;;;;;1.64;;0.05;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM441092;MM441092;C#CC=C1C=CC(=NO)N1;SEDCTPJAGQPVCW-UHFFFAOYSA-N;134.14;0.45;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP1_SN0";;;;;;;0.34;;-1.53;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM441093;MM441093;CCc1non(OC)c1=N;PWSXEWDAGPYCQE-UHFFFAOYSA-N;143.15;-0.42;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNa_SP2";;;;;;;-0.24;;-3.24;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM441094;MM441094;C#CC1CC(C)C(CC)C1;DSSFCSCFGIKSLY-UHFFFAOYSA-N;136.24;2.69;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC1_SC4";;;;;;;4.24;;0.42;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM441095;MM441095;C#CCCC1CC1C=NN;NYPSDZXQEHLKQP-UHFFFAOYSA-N;136.2;0.98;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNd_C5";;;;;;;1.64;;0.02;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM441096;MM441096;CCON=C(C#N)CF;ZSUXDFATOUKTGV-UHFFFAOYSA-N;130.12;0.87;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_Na";;;;;;;0.87;;-2.22;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM441097;MM441097;CCc1non(OC)c1=O;GNODNPSUXOCUTG-UHFFFAOYSA-N;144.13;-0.54;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNa_SP2";;;;;;;-0.24;;-3.24;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM441098;MM441098;C#CC=C1C=NC(=NC)N1;LNMLMFLVPUKZJA-UHFFFAOYSA-N;133.15;0.16;;;;;DOPC;MDCG;27;1;"MARTINI bead: SP1_SNd";;;;;;;0.04;;-4.03;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM441099;MM441099;C#CC1CC(C)C(CC)N1;UJVGJPZBBIBTHL-UHFFFAOYSA-N;137.23;1.4;;;;;DOPC;MDCG;27;1;"MARTINI bead: SC5_SNd";;;;;;;1.64;;-3;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM441100;MM441100;C#CCNC1CC1C=CC;ZEVRMUWICVFVKY-UHFFFAOYSA-N;135.21;1.17;;;;;DOPC;MDCG;27;1;"MARTINI bead: SC3_P2";;;;;;;1.46;;-1.59;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM441101;MM441101;COC(CC1CC1O)=NO;ZJPVBGDRIFSIFE-UHFFFAOYSA-N;145.16;0.19;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda_SP1";;;;;;;0.04;;-2.73;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM441102;MM441102;COn1onc(CO)c1=O;OSYFMYQTXDYJCU-UHFFFAOYSA-N;146.1;-1.61;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP2_SP1";;;;;;;-1.06;;-3.82;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM441103;MM441103;C#CC=C1C=NC(=NO)N1;MAPCBKCSJRGVPP-UHFFFAOYSA-N;135.13;-0.08;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP2_SNd";;;;;;;-0.24;;-3.16;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM441104;MM441104;CC1CC(CN)CN1C=O;QOSAUFGVLWMUMH-UHFFFAOYSA-N;142.2;-0.19;;;;;DOPC;MDCG;27;1;"MARTINI bead: SP2_SNda";;;;;;;-0.24;;-5.67;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM441105;MM441105;C#CCOC1CC1C=CC;DOKOMKSOZVWJLV-UHFFFAOYSA-N;136.19;1.6;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC3_Na";;;;;;;2.57;;0.45;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM441106;MM441106;COc1non(OC)c1=N;KRVBILIFUUAOTD-UHFFFAOYSA-N;145.12;-0.98;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNa_SP2";;;;;;;-0.24;;-3.24;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM441107;MM441107;CCC(=NC1CC1C)NC;RYTUDKLFIZTKPK-UHFFFAOYSA-N;140.23;1.42;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_SC5";;;;;;;1.64;;-4.09;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM441108;MM441108;C#CC=c1ccc(=CC)o1;RGWZIPKVCCWYEB-UHFFFAOYSA-N;132.16;0.49;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC4_SN0";;;;;;;2.5;;0.44;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM441109;MM441109;C=NN1CC(CC)CC1C;QTFIXHVXJYQLNQ-UHFFFAOYSA-N;140.23;1.72;;;;;DOPC;MDCG;27;0;"MARTINI bead: SN0_SN0";;;;;;;1.47;;-0.05;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM441110;MM441110;CCC(=NN)NC1CC1C;BWHFAVFEEJDRJZ-UHFFFAOYSA-N;141.22;0.67;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1_SC5";;;;;;;0.81;;-2.38;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM441111;MM441111;C#CCCC1CN1C=NC;QBMIOWPNBPJTCS-UHFFFAOYSA-N;136.2;0.74;;;;;DOPC;MDCG;27;1;"MARTINI bead: SP1_C5";;;;;;;0.81;;-3.03;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM441112;MM441112;COc1non(OC)c1=O;HXTSJJWTEIYQRN-UHFFFAOYSA-N;146.1;-1.1;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNa_SP2";;;;;;;-0.24;;-3.24;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM441113;MM441113;C#CC=c1ccc(=CF)o1;GFCAQIGWKUXXNI-UHFFFAOYSA-N;136.13;0.4;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC5_SN0";;;;;;;1.94;;0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM441114;MM441114;C=NN1CC(CN)CC1C;MUKLODZSDRPNLZ-UHFFFAOYSA-N;141.22;0.27;;;;;DOPC;MDCG;27;1;"MARTINI bead: SP2_SN0";;;;;;;0.06;;-4.67;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM441115;MM441115;C#CCCC1CN1N=CC;IHSPHKCAHBKACJ-UHFFFAOYSA-N;136.2;1.09;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP1_C5";;;;;;;0.81;;-0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM441116;MM441116;CN=C(CN)NC1CC1C;UIIUCDFHUKBOBG-UHFFFAOYSA-N;141.22;-0.03;;;;;DOPC;MDCG;27;1;"MARTINI bead: P3_SC5";;;;;;;-0.33;;-4.76;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM441117;MM441117;C=CC1=CCC(CC)C1=C;GFGAEBCTXVCDMO-UHFFFAOYSA-N;134.22;3.08;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC2_SC3";;;;;;;4.53;;0.32;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM441118;MM441118;C=CC1NC(C#N)CC1C;JZQIIVMAKYXCBF-UHFFFAOYSA-N;136.2;1.06;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP1_SNd";;;;;;;0.04;;-2.63;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM441119;MM441119;C#CCC(=NN)ON=CC;SCAQJHSQOLRVFF-UHFFFAOYSA-N;139.16;0.3;;;;;DOPC;MDCG;27;0;"MARTINI bead: N0_Nda";;;;;;;1.17;;-1.13;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM441120;MM441120;C#CCCN1CC1C=CC;SJXNIMBAOQDAHG-UHFFFAOYSA-N;135.21;1.27;;;;;DOPC;MDCG;27;0;"MARTINI bead: SN0_Nd";;;;;;;1.17;;-1.04;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM441121;MM441121;CC1CC1N=C(CO)NN;MFQVWCINNIBVAX-UHFFFAOYSA-N;143.19;-0.75;;;;;DOPC;MDCG;27;1;"MARTINI bead: SC5_P4";;;;;;;-0.41;;-3.87;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM441122;MM441122;C=C1C(C=O)=CCC1CC;XDNGTYYWTOTEJW-UHFFFAOYSA-N;136.19;2.1;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC2_SC5";;;;;;;3.6;;0.34;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM441123;MM441123;C=CC1CN(C=O)CC1C;UBDCYYFRSKZWRV-UHFFFAOYSA-N;139.2;0.9;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP1_SN0";;;;;;;0.34;;-1.53;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM441124;MM441124;C#CC=C1C=CC(=NO)O1;PENPJBHLFDNNFS-UHFFFAOYSA-N;135.12;0.88;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP1_SN0";;;;;;;0.34;;-1.53;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM441125;MM441125;CC=CCC1CC1C=CC;SOZPBSAXMUTUNT-UHFFFAOYSA-N;136.24;3.16;;;;;DOPC;MDCG;27;0;"MARTINI bead: C2_SC3";;;;;;;4.53;;0.32;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM441126;MM441126;CCC(=NC1CC1N)NC;XLQMZMCODAOKKW-UHFFFAOYSA-N;141.22;0.11;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_SP1";;;;;;;0.04;;-6.48;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM441127;MM441127;C#CC1CC(C)N(C=N)C1;VXIXLJLZGFIQMR-UHFFFAOYSA-N;136.2;0.94;;;;;DOPC;MDCG;27;1;"MARTINI bead: SP1_SNd";;;;;;;0.04;;-6.31;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM441128;MM441128;C=C1C(C#N)=CCC1CC;RLSZHCXIZOGJKA-UHFFFAOYSA-N;133.19;2.42;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC2_SC5";;;;;;;3.6;;0.34;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM441129;MM441129;CCCC1CC=C(CC)C1;NBOYBMQLJDVXQO-UHFFFAOYSA-N;138.25;3.53;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC1_SC2";;;;;;;4.87;;0.53;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM441130;MM441130;CC=CCC1CC1C=NN;UMXIWPNUHSWWBR-UHFFFAOYSA-N;138.21;1.53;;;;;DOPC;MDCG;27;0;"MARTINI bead: C2_SNd";;;;;;;2.83;;0.62;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM441131;MM441131;CCC(=NC1CC1O)NC;UZEWMZHJPWNUNC-UHFFFAOYSA-N;142.2;0.15;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_SP1";;;;;;;0.04;;-6.22;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM441132;MM441132;C=CC1=CCC(CN)C1=C;POQHNONYEJEASP-UHFFFAOYSA-N;135.21;1.63;;;;;DOPC;MDCG;27;1;"MARTINI bead: SNd_SC3";;;;;;;2.57;;-1.46;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM441133;MM441133;C#CC1CC(C)C(C#C)N1;LSIQSLDZYRWSEO-UHFFFAOYSA-N;133.19;0.62;;;;;DOPC;MDCG;27;1;"MARTINI bead: SP1_SNd";;;;;;;0.04;;-4.4;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM441134;MM441134;CCC1=CCC(CCN)C1;BPNRLYIECGWMJE-UHFFFAOYSA-N;139.24;2.08;;;;;DOPC;MDCG;27;1;"MARTINI bead: SC2_SC5";;;;;;;3.6;;0.55;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM441135;MM441135;CC=CC1CC1NC=NC;BAWKEMXOZBVRPM-UHFFFAOYSA-N;138.21;1.2;;;;;DOPC;MDCG;27;1;"MARTINI bead: SC3_P1";;;;;;;1.74;;-2.68;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM441136;MM441136;CCC(=NN)NC1CC1O;NZWFZKKJCFJECY-UHFFFAOYSA-N;143.19;-0.61;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1_SP1";;;;;;;-0.79;;-4.41;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM441137;MM441137;CC=Cn1ccc(NN)n1;CQMAEBSXIABHOH-UHFFFAOYSA-N;138.17;0.66;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNa_SP1";;;;;;;0.04;;-2.54;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM441138;MM441138;CCC=CCC(=NN)OC;HPKDIXOQWFPBML-UHFFFAOYSA-N;142.2;1.26;;;;;DOPC;MDCG;27;0;"MARTINI bead: C3_Nda";;;;;;;2.57;;0.44;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM441139;MM441139;CCCC1CC=C(CN)C1;DSPWBMDCLYAZAN-UHFFFAOYSA-N;139.24;2.08;;;;;DOPC;MDCG;27;1;"MARTINI bead: SC1_SNd";;;;;;;2.91;;-0.08;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM441140;MM441140;CC=COC1CC1C=NN;LXWLDFMRZOHYLX-UHFFFAOYSA-N;140.19;0.87;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_SNd";;;;;;;1.64;;0.02;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM441141;MM441141;CN=C(NC)NC1CC1C;YVKOLVJQQSLMQG-UHFFFAOYSA-N;141.22;0.19;;;;;DOPC;MDCG;27;1;"MARTINI bead: P2_SC5";;;;;;;0.54;;-5.92;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM441142;MM441142;C=NOC1CC1C(=O)CC;WCLKHWHKLDBANT-UHFFFAOYSA-N;141.17;0.99;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_SNa";;;;;;;0.87;;-2.22;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM441143;MM441143;C=CC1CC(=CF)CC1C;PXUZIMZPHSMCQR-UHFFFAOYSA-N;140.2;3.07;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC4_SC2";;;;;;;4.16;;0.44;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM441144;MM441144;NCCC1CC=C(CN)C1;OUZIPAPQXWNYCQ-UHFFFAOYSA-N;140.23;0.63;;;;;DOPC;MDCG;27;1;"MARTINI bead: SC5_SNd";;;;;;;1.64;;-2.8;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM441145;MM441145;CC=COC1CC1C=NO;YGMAQQUAPRPJIU-UHFFFAOYSA-N;141.17;1.39;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_SNda";;;;;;;1.64;;0.05;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM441146;MM441146;CNC(=NN)NC1CC1C;PUZWCKMKPMFQDO-UHFFFAOYSA-N;142.21;-0.57;;;;;DOPC;MDCG;27;1;"MARTINI bead: P3_SC5";;;;;;;-0.33;;-5.53;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM441147;MM441147;C=CC1CC(=NN)CC1C;LMXMQGNWYLBFLF-UHFFFAOYSA-N;138.21;1.53;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNd_SC2";;;;;;;2.83;;0.62;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM441148;MM441148;CCC1CC=C(C#N)C1=O;QQODLCMGLPGWBR-UHFFFAOYSA-N;135.17;1.44;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC2_SNa";;;;;;;2.83;;0.35;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM441149;MM441149;CCCC1CC=C(CO)C1;ZROLOPOOYWPBDH-UHFFFAOYSA-N;140.23;2.12;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC1_SNda";;;;;;;2.91;;0.57;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM441150;MM441150;CC=CCC1OC1C=CC;PNTVERVYVUYXPD-UHFFFAOYSA-N;138.21;2.3;;;;;DOPC;MDCG;27;0;"MARTINI bead: C2_SNa";;;;;;;2.83;;0.35;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM441151;MM441151;CN=C(NN)NC1CC1C;PUZWCKMKPMFQDO-UHFFFAOYSA-N;142.21;-0.57;;;;;DOPC;MDCG;27;1;"MARTINI bead: P3_SC5";;;;;;;-0.33;;-6.02;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM441152;MM441152;C=CC1=CCC(NC)C1=C;LBRLARJSEWVBGX-UHFFFAOYSA-N;135.21;1.65;;;;;DOPC;MDCG;27;1;"MARTINI bead: SNd_SC3";;;;;;;2.57;;-1.05;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM441153;MM441153;CC1CC(=NN)CN1C=N;BBQIQXQVMZQUOQ-UHFFFAOYSA-N;140.19;;;;;;DOPC;MDCG;27;1;"MARTINI bead: SP2_SNd";;;;;;;-0.24;;-6.07;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM441154;MM441154;NCCC1CC=C(CO)C1;PJOSNGPNTUSVPL-UHFFFAOYSA-N;141.21;0.66;;;;;DOPC;MDCG;27;1;"MARTINI bead: SC5_SNda";;;;;;;1.64;;-2.67;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM441155;MM441155;CC1CC1NC(=NN)NN;VJSPYOJJWIVAAA-UHFFFAOYSA-N;143.19;-1.32;;;;;DOPC;MDCG;27;1;"MARTINI bead: SC5_P4";;;;;;;-0.41;;-5.56;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM441156;MM441156;CC=CCC1CN1C=NC;NEVZBNOOGHRHJC-UHFFFAOYSA-N;138.21;1.29;;;;;DOPC;MDCG;27;1;"MARTINI bead: C2_SP1";;;;;;;2;;-1.11;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM441157;MM441157;CC1CC(=NO)CN1C=N;MCBMEHMSXQVXIS-UHFFFAOYSA-N;141.17;0.52;;;;;DOPC;MDCG;27;1;"MARTINI bead: SP3_SNd";;;;;;;-1.1;;-6.72;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM441158;MM441158;C=C1C(C=O)=CCC1NC;SNKVUMFVZDHTPW-UHFFFAOYSA-N;137.18;0.66;;;;;DOPC;MDCG;27;1;"MARTINI bead: SNd_SC5";;;;;;;1.64;;-1.91;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM441159;MM441159;NCCC1CC=C(CF)C1;XGPGENDFOIQFGH-UHFFFAOYSA-N;143.21;1.64;;;;;DOPC;MDCG;27;1;"MARTINI bead: SC5_SC5";;;;;;;2.41;;-0.48;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM441160;MM441160;CN=CN1CC1CC=NN;AMICFFHVZASDIQ-UHFFFAOYSA-N;140.19;-0.34;;;;;DOPC;MDCG;27;1;"MARTINI bead: SP1_Nd";;;;;;;0.04;;-5.07;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM441161;MM441161;CN=C(NC)NC1CC1N;IHTBKFVXOZQVGV-UHFFFAOYSA-N;142.21;-1.12;;;;;DOPC;MDCG;27;1;"MARTINI bead: P2_SP1";;;;;;;-1.06;;-8.47;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM441162;MM441162;C=NN1CC(=NN)CC1C;CPPJMJJKBIRRCN-UHFFFAOYSA-N;140.19;0.01;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP2_SN0";;;;;;;0.06;;-2.21;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM441163;MM441163;CCCC1CC=C(OC)C1;VERLLIZTDNNBAY-UHFFFAOYSA-N;140.23;2.73;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC1_SC5";;;;;;;3.68;;0.46;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM441164;MM441164;C=C1C(C#N)=CCC1NC;NDFDENZMHRLXEO-UHFFFAOYSA-N;134.18;0.98;;;;;DOPC;MDCG;27;1;"MARTINI bead: SNd_SC5";;;;;;;1.64;;-1.21;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM441165;MM441165;CC=CCC1CN1N=CC;JQKNPLXGJPUGDD-UHFFFAOYSA-N;138.21;1.64;;;;;DOPC;MDCG;27;0;"MARTINI bead: C2_SP1";;;;;;;2;;0.3;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM441166;MM441166;CN=C(NN)NC1CC1O;KTWABEXNJMWHDP-UHFFFAOYSA-N;144.18;-1.84;;;;;DOPC;MDCG;27;1;"MARTINI bead: P3_SP1";;;;;;;-1.93;;-8.25;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM441167;MM441167;CCC=COC(CC)=NN;FJFGNWGBFNBLGN-UHFFFAOYSA-N;142.2;1.61;;;;;DOPC;MDCG;27;0;"MARTINI bead: C3_P1";;;;;;;1.74;;0.29;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM441168;MM441168;COC1=CCC(CCN)C1;KEDKFCANVLMPRB-UHFFFAOYSA-N;141.21;1.28;;;;;DOPC;MDCG;27;1;"MARTINI bead: SC5_SC5";;;;;;;2.41;;-0.48;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM441169;MM441169;C=C1C(C=O)=CCC1OC;GCMLQKAVCFAUFG-UHFFFAOYSA-N;138.17;1.09;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC5_SC5";;;;;;;2.41;;0.64;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM441170;MM441170;CC=NN1CC1CC=NN;HKIJAFLOGSKEPJ-UHFFFAOYSA-N;140.19;0.01;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP1_Nd";;;;;;;0.04;;-2.63;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM441171;MM441171;CN=c1ncc(N)no1;BVFAOEXZNKMIEJ-UHFFFAOYSA-N;126.12;-0.82;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP3_SP3";;;;;;;-3.07;;-6.15;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM441172;MM441172;C#CC1CC(=NN)CC1C;VOXCIKRKPPCZHP-UHFFFAOYSA-N;136.2;0.98;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNd_SC4";;;;;;;2.2;;0.32;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM441173;MM441173;CCNC1CC=C(CC)C1;LQRWINPFVGLGQR-UHFFFAOYSA-N;139.24;2.09;;;;;DOPC;MDCG;27;1;"MARTINI bead: SC5_SC2";;;;;;;3.6;;0.47;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM441174;MM441174;C=C1C(C#N)=CCC1OC;LYPWCGAOKCCRQR-UHFFFAOYSA-N;135.17;1.41;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC5_SC5";;;;;;;2.41;;0.64;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM441175;MM441175;CC=CCN1CC1C=CC;NDHSYLAOEQZBEU-UHFFFAOYSA-N;137.23;1.82;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nd_SN0";;;;;;;1.17;;-1.04;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM441176;MM441176;CC=C(CC)OC1CC1C;JPGKDFLEKLSTML-UHFFFAOYSA-N;140.23;2.73;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4_SC5";;;;;;;2.97;;0.45;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM441177;MM441177;C#CC1CC(=NO)CC1C;RGVDJUFDGUEXSJ-UHFFFAOYSA-N;137.18;1.5;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNda_SC4";;;;;;;2.2;;0.49;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM441178;MM441178;C=C1C(C=O)=CNC1CC;JINIGKGYGLKUNF-UHFFFAOYSA-N;137.18;1.01;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNd_SP1";;;;;;;0.04;;-2.63;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM441179;MM441179;CCNC1CC=C(CN)C1;MRFTVDKUUICFKC-UHFFFAOYSA-N;140.23;0.64;;;;;DOPC;MDCG;27;1;"MARTINI bead: SC5_SNd";;;;;;;1.64;;-3.01;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM441180;MM441180;CC=CC1CN1NC=NC;OUBVPZIRZQXLGZ-UHFFFAOYSA-N;139.2;0.41;;;;;DOPC;MDCG;27;1;"MARTINI bead: SN0_P3";;;;;;;-0.8;;-5.08;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM441181;MM441181;COn1oc(O)nc1=N;UDJAUHJPFJCVRA-UHFFFAOYSA-N;131.09;-1.28;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP2_SP1";;;;;;;-1.06;;-8.83;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM441182;MM441182;C=C1C(C#N)=CNC1CC;PEPPKBMLNWOTJO-UHFFFAOYSA-N;134.18;1.33;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNd_SP1";;;;;;;0.04;;-2.63;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM441183;MM441183;CCC(=CF)OC1CC1C;ULRWRMOFFJUFLY-UHFFFAOYSA-N;144.19;2.63;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_SC5";;;;;;;1.64;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM441184;MM441184;CCNC1CC=C(OC)C1;KQESWTJNEFKIGF-UHFFFAOYSA-N;141.21;1.29;;;;;DOPC;MDCG;27;1;"MARTINI bead: SC5_SC5";;;;;;;2.41;;-0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM441185;MM441185;CC#CCC1CC1C=NN;LDNWDLQCYHQTCJ-UHFFFAOYSA-N;136.2;0.98;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC3_Nd";;;;;;;2.57;;0.53;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM441186;MM441186;CNC(C#N)C(C)C(=O)O;CFPNEUQTUGWQJG-UHFFFAOYSA-N;142.16;-0.18;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_P4";;;;;;;-2.29;;-9.63;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM441187;MM441187;NCCC1CC(CN)=NN1;GRTATYRQWRMXNG-UHFFFAOYSA-N;142.21;-0.99;;;;;DOPC;MDCG;27;1;"MARTINI bead: SP1_SP2";;;;;;;-1.06;;-6.27;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM441188;MM441188;CC=C(CN)OC1CC1C;STQUSBYHZOELCT-UHFFFAOYSA-N;141.21;1.27;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1_SC5";;;;;;;0.81;;-1.94;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM441189;MM441189;C=Cc1c[nH]c(CC)c1O;PEADVLGNAUZDHC-UHFFFAOYSA-N;137.18;1.93;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNda_SN0";;;;;;;1.17;;-1.13;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM441190;MM441190;CC#CC1CC1NCCN;BSIUVSCWELLEIB-UHFFFAOYSA-N;138.21;-0.05;;;;;DOPC;MDCG;27;1;"MARTINI bead: SC4_P3";;;;;;;0.23;;-3.21;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM441191;MM441191;C#CC=COC(=O)C(=O)O;BJWPWISTPHFCME-UHFFFAOYSA-N;140.09;-0.24;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_N0";;;;;;;0.34;;-6.82;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM441192;MM441192;CC=NOC(C=CF)=NN;IXQZCVJOKLXSCO-UHFFFAOYSA-N;145.14;0.76;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_Nda";;;;;;;1.64;;0.05;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM441193;MM441193;C=Cc1c[nH]c(CO)c1O;LFXCNOBOLHBEAG-UHFFFAOYSA-N;139.15;0.86;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP1_SN0";;;;;;;0.34;;-1.53;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM441194;MM441194;CC1CC1OC(=CF)CN;WEOOJJHZASSNIY-UHFFFAOYSA-N;145.18;1.18;;;;;DOPC;MDCG;27;1;"MARTINI bead: SC5_P2";;;;;;;0.54;;-2.44;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM441195;MM441195;CC#CC1CN1CCCC;LQDBNKACSWWNSW-UHFFFAOYSA-N;137.23;1.49;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nd_SP1";;;;;;;0.04;;-2.63;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM441196;MM441196;COC(C=CC#N)C(=O)O;NJDCOGQPLWXZFA-UHFFFAOYSA-N;141.13;0.17;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_N0";;;;;;;0.34;;-6.82;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM441197;MM441197;CC1CC1OC(=CF)CO;SHTBUWMRWBHYGW-UHFFFAOYSA-N;146.16;1.21;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC5_P2";;;;;;;0.54;;-1.09;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM441198;MM441198;C=COC(C=NOC)=NN;RRFSGIXDMMGRMM-UHFFFAOYSA-N;143.15;0.05;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_C5";;;;;;;0.54;;-1.09;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM441199;MM441199;N#Cc1c[nH]c(CO)c1O;WZHOQIUEANRVRV-UHFFFAOYSA-N;138.13;0.08;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNda_SNda";;;;;;;0.87;;-2.07;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM441200;MM441200;CN=c1oc(N)c(F)n1N;ORYRVLNEPAWBGY-UHFFFAOYSA-N;146.13;-0.95;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP1_SNda";;;;;;;0.04;;-2.73;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM441201;MM441201;CN(C)N=C(C#N)C(=O)O;RLLFNXNQXRUEHU-UHFFFAOYSA-N;141.13;-0.49;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_P1";;;;;;;-0.79;;-8.44;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM441202;MM441202;CCCC1CC(CC)=CO1;GKQBTTCFUVNUQM-UHFFFAOYSA-N;140.23;2.87;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC4_SC5";;;;;;;2.97;;0.45;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM441203;MM441203;CC=C(CC)OC1CC1N;RWVULAUAWAEYQP-UHFFFAOYSA-N;141.21;1.42;;;;;DOPC;MDCG;27;1;"MARTINI bead: C4_SP1";;;;;;;1.37;;-1.76;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM441204;MM441204;C=NNCC1CC1C#CC;SSHZMDKEBZYTBR-UHFFFAOYSA-N;136.2;0.85;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC4_P2";;;;;;;1.09;;-0.38;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM441205;MM441205;C=NOCCC#CC#CC;QWRJRZMQBYTECZ-UHFFFAOYSA-N;135.17;1.04;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1_P1";;;;;;;2.08;;0.48;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM441206;MM441206;C=COCC1CC1C#CC;ILWRVCLHUDOYEN-UHFFFAOYSA-N;136.19;1.81;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC4_Na";;;;;;;2.2;;0.34;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM441207;MM441207;N#CCc1nnc(O)o1;UNVQOHDVTQHGKO-UHFFFAOYSA-N;125.09;-0.16;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP1_SP1";;;;;;;-0.79;;-8.44;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM441208;MM441208;CCCC1CC(CO)=CO1;JULLZMKEZHGLBL-UHFFFAOYSA-N;142.2;1.45;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC4_SP1";;;;;;;1.37;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM441209;MM441209;O=CC=NN=CNC1CC1;CHIPKPFQDYIEFP-UHFFFAOYSA-N;139.16;-0.05;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_SP1";;;;;;;0.04;;-2.54;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM441210;MM441210;CCC(=CF)OC1CC1N;ZZKYSKZGAOVFMT-UHFFFAOYSA-N;145.18;1.32;;;;;DOPC;MDCG;27;1;"MARTINI bead: Na_SP1";;;;;;;0.04;;-4.35;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM441211;MM441211;CC=C(CN)OC1CC1N;JLSCLXWANMYXPF-UHFFFAOYSA-N;142.2;-0.03;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1_SP1";;;;;;;-0.79;;-5.1;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM441212;MM441212;O=CC(F)C(F)(F)C=NO;JVSSPOICTHVKDQ-UHFFFAOYSA-N;155.08;0.62;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_C5";;;;;;;0.81;;-5.72;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM441213;MM441213;N#CC(O)C(O)C(=O)O;LYDWBWNJBNMQGM-UHFFFAOYSA-N;131.09;-1.68;;;;;DOPC;MDCG;27;0;"MARTINI bead: P4_P1";;;;;;;-2.01;;-9.09;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM441214;MM441214;CCCC1CC(OC)=CO1;URIQILVQSWKYDJ-UHFFFAOYSA-N;142.2;2.06;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC4_SNa";;;;;;;2.2;;0.34;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM441215;MM441215;CC#CC1CC1COC=O;AXUJQYOUFYHBME-UHFFFAOYSA-N;138.17;0.82;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC4_P1";;;;;;;1.37;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM441216;MM441216;N#Cc1cnn(C=O)c1O;SBFJMZOOWKRNJH-UHFFFAOYSA-N;137.1;-0.5;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP1_SP1";;;;;;;-0.79;;-8.44;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM441217;MM441217;N#CC(C=O)OCC(=O)O;GYOBGGPDFBUBGD-UHFFFAOYSA-N;143.1;-0.82;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_P1";;;;;;;-0.79;;-8.71;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM441218;MM441218;CCCC1CC(=NO)NO1;CMQXVAHBNKKLDW-UHFFFAOYSA-N;144.17;0.87;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNa_SP2";;;;;;;-0.24;;-3.24;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM441219;MM441219;C=CCNC1CC1C#CC;QRYODWAKEMVPKD-UHFFFAOYSA-N;135.21;1.17;;;;;DOPC;MDCG;27;1;"MARTINI bead: SC4_Nd";;;;;;;2.2;;-1.04;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM441220;MM441220;CCC(=NN)OC=COC;MWZRGFHRMQIREA-UHFFFAOYSA-N;144.17;0.8;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_Nda";;;;;;;1.64;;0.05;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM441221;MM441221;N#CC1(CO)OC1C(=O)O;NKXQNMNDUWQCLX-UHFFFAOYSA-N;143.1;-1.28;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP2_P1";;;;;;;-1.06;;-8.97;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM441222;MM441222;NCCC1CN=C(CN)N1;SIXDEGLAFMLOSH-UHFFFAOYSA-N;142.21;-1.34;;;;;DOPC;MDCG;27;1;"MARTINI bead: SP2_SP2";;;;;;;-1.34;;-6.41;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM441223;MM441223;C=CCCN1CC1C#CC;PQFVTCSYZQXPKW-UHFFFAOYSA-N;135.21;1.27;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP1_Nd";;;;;;;0.04;;-2.63;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM441224;MM441224;CCn1oc(=NN)oc1=O;ORJISKUMFKGMKX-UHFFFAOYSA-N;145.12;-1.17;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_SP2";;;;;;;0.54;;-1.09;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM441225;MM441225;C=CC1=COC(CC)C1=C;QCCHVEBCULKZST-UHFFFAOYSA-N;136.19;2.42;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC5_SC5";;;;;;;2.41;;0.64;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM441226;MM441226;NCCC1CN=C(CO)N1;RCQWYXWEYMCYMX-UHFFFAOYSA-N;143.19;-1.3;;;;;DOPC;MDCG;27;1;"MARTINI bead: SP2_SP1";;;;;;;-1.06;;-5.89;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM441227;MM441227;CC#CC1CN1CCC#N;ZIADNFCQVGZNLO-UHFFFAOYSA-N;134.18;0.61;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP1_P2";;;;;;;-1.06;;-3.82;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM441228;MM441228;C=CC=CCC(=NN)OC;AVQTYWKUQOGECP-UHFFFAOYSA-N;140.19;1.04;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_C1";;;;;;;2.08;;0.48;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM441229;MM441229;C=C1C(C=O)=COC1CC;VOWOQMAJKHRHER-UHFFFAOYSA-N;138.17;1.43;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC5_SNa";;;;;;;1.64;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM441230;MM441230;NCCC1CN=C(CF)N1;HRVORPIVDFBRES-UHFFFAOYSA-N;145.18;-0.33;;;;;DOPC;MDCG;27;1;"MARTINI bead: SP2_SNda";;;;;;;-0.24;;-5.17;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM441231;MM441231;C#CCCC1CC1C#CC;IGBXVTZIGOMITG-UHFFFAOYSA-N;132.21;2.06;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC4_C5";;;;;;;2.97;;0.45;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM441232;MM441232;CN=C(CF)NC=CC=O;RFYHBPCSMAGNGT-UHFFFAOYSA-N;144.15;0.29;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_Na";;;;;;;0.04;;-2.54;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM441233;MM441233;C=C1C(C#N)=COC1CC;AGUDHKAKOHOKPA-UHFFFAOYSA-N;135.17;1.76;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC5_SN0";;;;;;;1.94;;0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM441234;MM441234;C#CCOC1CC1C#CC;MRYSBFVCOORYCD-UHFFFAOYSA-N;134.18;1.05;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC4_Na";;;;;;;2.2;;0.34;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM441235;MM441235;NCCC1CN=C(NO)N1;ZHRKXOSEJMEXKK-UHFFFAOYSA-N;144.18;-1.36;;;;;DOPC;MDCG;27;1;"MARTINI bead: SP2_SP2";;;;;;;-1.34;;-6.67;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM441236;MM441236;C#CC=CCC(=NN)OC;RDZPWNHCNWQXGD-UHFFFAOYSA-N;138.17;0.48;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda_N0";;;;;;;1.17;;-1.13;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM441237;MM441237;C=CC1=NOC(CC)C1=C;FJUJKKYRUUKZNR-UHFFFAOYSA-N;137.18;1.89;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC5_SN0";;;;;;;1.94;;0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM441238;MM441238;C#CCCC1NC1C#CC;VIWHAKFGNBFXSA-UHFFFAOYSA-N;133.19;0.76;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP1_C5";;;;;;;0.81;;-0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM441239;MM441239;NCCC1CC=C(CN)O1;FEQANTFNCMVODW-UHFFFAOYSA-N;142.2;-0.03;;;;;DOPC;MDCG;27;1;"MARTINI bead: SNd_SP2";;;;;;;-0.24;;-5.89;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM441240;MM441240;COn1oc(=NN)oc1=O;SIBAQGYKIZJBAT-UHFFFAOYSA-N;147.09;-2.13;;;;;DOPC;MDCG;27;0;"MARTINI bead: P3_SP2";;;;;;;-2.2;;-5.19;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM441241;MM441241;C=C1C(C=O)=NOC1CC;AJQWCRZCWMLACC-UHFFFAOYSA-N;139.15;0.91;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC5_SNa";;;;;;;1.64;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM441242;MM441242;CC#CC1CC1CC=CC;ZGPPCAOFMWFAFP-UHFFFAOYSA-N;134.22;2.61;;;;;DOPC;MDCG;27;0;"MARTINI bead: C2_SC4";;;;;;;4.16;;0.44;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM441243;MM441243;CCC1=CCN(CCN)C1;RCEMNCZUEGAESS-UHFFFAOYSA-N;140.23;0.6;;;;;DOPC;MDCG;27;1;"MARTINI bead: SN0_SP1";;;;;;;0.34;;-3.62;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM441244;MM441244;C=C1CC(=CF)CN1C=N;XLEMMONPJJVLAU-UHFFFAOYSA-N;140.16;1.67;;;;;DOPC;MDCG;27;1;"MARTINI bead: SP1_SNd";;;;;;;0.04;;-5.58;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM441245;MM441245;C=C1C(C#N)=NOC1CC;LLWYDDHYTBRRSB-UHFFFAOYSA-N;136.15;1.23;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC5_SP1";;;;;;;0.81;;-0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM441246;MM441246;CC#CC1CC1CC=CF;JFSCAEGJJHUAMM-UHFFFAOYSA-N;138.19;2.52;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC4_C4";;;;;;;3.53;;0.53;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM441247;MM441247;CCCN1CC=C(CN)C1;GHPNIQVOUIDURH-UHFFFAOYSA-N;140.23;0.6;;;;;DOPC;MDCG;27;1;"MARTINI bead: SC5_SP2";;;;;;;0.54;;-3.38;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM441248;MM441248;CCCC=CC(=NN)OC;HZJLTJZAGYWYTQ-UHFFFAOYSA-N;142.2;1.26;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1_P1";;;;;;;2.08;;0.48;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM441249;MM441249;C#Cc1nnoc1O;VWSJZTUHFGCUOO-UHFFFAOYSA-N;110.07;-0.24;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP1_SP1";;;;;;;-0.79;;-8.71;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM441250;MM441250;CC#CC1CC1CC=NN;MDXYGVNXJLJQPR-UHFFFAOYSA-N;136.2;0.98;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC4_Nd";;;;;;;2.2;;0.32;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM441251;MM441251;NCCN1CC=C(CN)C1;HMMCMWZDZKBJPX-UHFFFAOYSA-N;141.22;-0.85;;;;;DOPC;MDCG;27;1;"MARTINI bead: SP1_SP2";;;;;;;-1.06;;-6.08;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM441252;MM441252;Nn1nc(O)oc(=O)c1=O;WSKNILUIGZTLSS-UHFFFAOYSA-N;145.07;-2.38;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP3_SP3";;;;;;;-3.07;;-10.26;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM441253;MM441253;C=Nn1[nH]nc(C#N)c1=N;QNSZSOUPRPTKDZ-UHFFFAOYSA-N;136.12;-0.97;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP3_SP1";;;;;;;-1.93;;-9.08;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM441254;MM441254;C=CC(=NN=CCC)NC;QGPCNMGOEYZLAL-UHFFFAOYSA-N;139.2;1.19;;;;;DOPC;MDCG;27;0;"MARTINI bead: N0_Nd";;;;;;;1.17;;-1.04;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM441255;MM441255;NCCN1CC=C(CO)C1;GUXVKINEEHSLCC-UHFFFAOYSA-N;142.2;-0.82;;;;;DOPC;MDCG;27;1;"MARTINI bead: SP1_SP2";;;;;;;-1.06;;-5.81;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM441256;MM441256;NN=c1oc(O)nn1O;MPYNQWSFCYWREM-UHFFFAOYSA-N;132.08;-1.81;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP2_SP1";;;;;;;-1.06;;-8.84;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM441257;MM441257;C=CC1=CCN(NC)C1=N;BGPJIULHZHXJBJ-UHFFFAOYSA-N;137.19;0.53;;;;;DOPC;MDCG;27;1;"MARTINI bead: SP2_SP1";;;;;;;-1.06;;-5.73;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM441258;MM441258;CC#CC1NC1CC=CC;HLIQHQHKDXZJFI-UHFFFAOYSA-N;135.21;1.32;;;;;DOPC;MDCG;27;0;"MARTINI bead: C2_SP1";;;;;;;2;;0.34;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM441259;MM441259;CCCN1CC=C(CF)C1;MBQBSJQKPNGXMC-UHFFFAOYSA-N;143.21;1.61;;;;;DOPC;MDCG;27;1;"MARTINI bead: SC5_SNa";;;;;;;1.64;;-1.8;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM441260;MM441260;Nn1[nH]c(=O)n(O)c1=O;FJMRQJYPVNQGOO-UHFFFAOYSA-N;132.08;-2.71;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP4_SP3";;;;;;;-3.15;;-10.28;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM441261;MM441261;O=c1o[nH]nc1C=CF;CWTAQBOERMDJPJ-UHFFFAOYSA-N;130.08;0.3;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP1_SP2";;;;;;;-1.06;;-8.98;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM441262;MM441262;CC#CCC1NC1C#CC;XBCWUYFWFAWBPA-UHFFFAOYSA-N;133.19;0.76;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4_SP1";;;;;;;1.37;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM441263;MM441263;CCCN1CC=C(OC)C1;XVUMCWGOWRARLK-UHFFFAOYSA-N;141.21;1.24;;;;;DOPC;MDCG;27;1;"MARTINI bead: SC5_SP1";;;;;;;0.81;;-1.92;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM441264;MM441264;CC(C(=O)O)C(N)=CC#N;UJYOMMGSMZKSNT-UHFFFAOYSA-N;140.14;0.07;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda_P1";;;;;;;0.04;;-7.96;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM441265;MM441265;COn1[nH]c(=O)n(C)c1=O;GUQUCSLGGDAMTG-UHFFFAOYSA-N;145.12;-2.07;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP1_SP2";;;;;;;-1.06;;-8.98;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM441266;MM441266;CC#CCN1CC1C#CC;XIIYYOGTECHIOP-UHFFFAOYSA-N;133.19;0.72;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nd_SP1";;;;;;;0.04;;-2.63;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM441267;MM441267;CCC1=CCC(CC#N)C1;RIMVHGPJBLJLSP-UHFFFAOYSA-N;135.21;2.65;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC2_SC5";;;;;;;3.6;;0.34;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM441268;MM441268;C=CC#CC(=CN)C(=O)O;BMNVPSMETRRKMB-UHFFFAOYSA-N;137.14;0.1;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_P1";;;;;;;0.81;;-5.72;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM441269;MM441269;N=c1nn[nH]ncc1=NO;YCTBHLLRQIOWEF-UHFFFAOYSA-N;140.11;-2.03;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP3_SP3";;;;;;;-3.07;;-10.28;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM441270;MM441270;CCC=CC1CC1CCN;IXDKCQQOMPMRMO-UHFFFAOYSA-N;139.24;1.94;;;;;DOPC;MDCG;27;1;"MARTINI bead: C3_SNd";;;;;;;2.57;;-1.51;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM441271;MM441271;C=CCC1CC=C(CO)C1;DAOSIYFEBOPFJK-UHFFFAOYSA-N;138.21;1.89;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNda_SC1";;;;;;;2.91;;0.57;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM441272;MM441272;O=C(O)c1noc(=O)o1;GBLYKQPTLMWPEI-UHFFFAOYSA-N;131.04;-0.67;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_SP2";;;;;;;-1.06;;-8.84;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM441273;MM441273;O=c1o[nH]n(O)c1=O;AEJWHAIYXFSJFM-UHFFFAOYSA-N;118.05;-1.63;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP2_SP2";;;;;;;-1.34;;-9.51;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM441274;MM441274;CNCC1CC1C=CCN;YBNWYFCWGGKADZ-UHFFFAOYSA-N;140.23;0.36;;;;;DOPC;MDCG;27;1;"MARTINI bead: SNd_Nd";;;;;;;0.87;;-5.34;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM441275;MM441275;O=CCC1CC=C(CO)C1;JYKNNQVJRLJBHV-UHFFFAOYSA-N;140.18;0.9;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNda_SC5";;;;;;;1.64;;0.05;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM441276;MM441276;N=c1nc(O)on1C(N)=O;BRCYNLNBAHULEJ-UHFFFAOYSA-N;144.09;-1.41;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP3_SP1";;;;;;;-1.93;;-9.05;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM441277;MM441277;C=Cc1con(CC)c1=N;GRZXTCOCJQRFQR-UHFFFAOYSA-N;138.17;1.22;;;;;DOPC;MDCG;27;1;"MARTINI bead: SP1_SN0";;;;;;;0.34;;-3.16;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM441278;MM441278;CNN=CC1CC1CCN;XCYMIXXJUBLYJO-UHFFFAOYSA-N;141.22;0.18;;;;;DOPC;MDCG;27;1;"MARTINI bead: P2_SNd";;;;;;;-0.24;;-5.93;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM441279;MM441279;N#CCC1CC=C(CO)C1;VYOMGCFBYWITPY-UHFFFAOYSA-N;137.18;1.23;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNda_SC5";;;;;;;1.64;;0.05;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM441280;MM441280;CC(C#N)=CC(O)C(=O)O;XJUNGZFPVUYHNQ-UHFFFAOYSA-N;141.13;-0.1;;;;;DOPC;MDCG;27;0;"MARTINI bead: N0_P2";;;;;;;0.06;;-7.19;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM441281;MM441281;CCn1occ(C#N)c1=N;BHIISYOSERSPEA-UHFFFAOYSA-N;137.14;0.45;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP1_SP1";;;;;;;-0.79;;-3.13;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM441282;MM441282;CCCC1CC1C=NOC;GQJNVPVMNNRCIK-UHFFFAOYSA-N;141.21;2.05;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC2_Na";;;;;;;2.83;;0.35;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM441283;MM441283;N#CCC1CC=C(CF)C1;MVDXLBUCBPTEKG-UHFFFAOYSA-N;139.17;2.21;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC5_SC5";;;;;;;2.41;;0.64;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM441284;MM441284;N=c1ncc(=O)nc(O)o1;HJRBMFOKOQDNCO-UHFFFAOYSA-N;141.09;-1.39;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP3_SP3";;;;;;;-3.07;;-10.26;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM441285;MM441285;C=Cc1con(CC)c1=O;GZAIBWFTJKVANK-UHFFFAOYSA-N;139.15;1.1;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP1_SN0";;;;;;;0.34;;-1.53;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM441286;MM441286;CON=CC1CC1CCN;VBLULFJXRMFKGF-UHFFFAOYSA-N;142.2;0.6;;;;;DOPC;MDCG;27;1;"MARTINI bead: Na_SNd";;;;;;;0.87;;-4.67;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM441287;MM441287;C=CCC1CC=C(OC)C1;SZKKNSJGLWLAQE-UHFFFAOYSA-N;138.21;2.5;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC5_SC1";;;;;;;3.68;;0.46;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM441288;MM441288;C=C(C#N)OC(C)C(=O)O;VCVVBANOLCVBTP-UHFFFAOYSA-N;141.13;0.51;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_Nda";;;;;;;0.87;;-7.42;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM441289;MM441289;CCn1occ(C#N)c1=O;HFEMXOBBTKLTBX-UHFFFAOYSA-N;138.13;0.33;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP1_SP1";;;;;;;-0.79;;-3.13;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM441290;MM441290;CCOC1CC1C=NNC;IQVFNOUESVWFLM-UHFFFAOYSA-N;142.2;0.62;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNa_Nd";;;;;;;0.87;;-1.88;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM441291;MM441291;COC1=CCC(CC=O)C1;XHGXHGIHURCXOA-UHFFFAOYSA-N;140.18;1.52;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC5_SC5";;;;;;;2.41;;0.64;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM441292;MM441292;O=C(O)C#CC#CC1CO1;YYYMCLBLGDXACS-UHFFFAOYSA-N;136.11;-0.52;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda_SNa";;;;;;;0.87;;-7.42;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM441293;MM441293;C=Cc1non(CC)c1=N;OTHDQTZZUSVAQS-UHFFFAOYSA-N;139.16;0.62;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP2_SNa";;;;;;;-0.24;;-3.24;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM441294;MM441294;CCC=CC1NC1CCN;NJKHCWIONQLBLL-UHFFFAOYSA-N;140.23;0.64;;;;;DOPC;MDCG;27;1;"MARTINI bead: C3_SP2";;;;;;;1.46;;-2.47;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM441295;MM441295;COC1=CCC(CC#N)C1;DLJQBRICAYHYMY-UHFFFAOYSA-N;137.18;1.84;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC5_SC5";;;;;;;2.41;;0.64;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM441296;MM441296;CCn1onc(C=O)c1=N;AKGCEKWIEWXAMD-UHFFFAOYSA-N;141.13;-0.21;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP2_SP1";;;;;;;-1.06;;-3.82;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM441297;MM441297;C=C(CC#N)C(O)C(=O)O;HZZTVIIQEVWELC-UHFFFAOYSA-N;141.13;-0.1;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_N0";;;;;;;0.06;;-7.19;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM441298;MM441298;CCCC1NC1C=NOC;INLHADCKVDUNQJ-UHFFFAOYSA-N;142.2;0.76;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNd_P1";;;;;;;0.04;;-2.63;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM441299;MM441299;CCC1=CCC(NC=N)C1;HSBFWTYWZWQXPE-UHFFFAOYSA-N;138.21;1.68;;;;;DOPC;MDCG;27;1;"MARTINI bead: SC2_SNd";;;;;;;2.83;;-1.99;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM441300;MM441300;CCn1onc(C#N)c1=N;YGHORRHAYUAKES-UHFFFAOYSA-N;138.13;-0.15;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP2_SNa";;;;;;;-0.24;;-3.24;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM441301;MM441301;OC=C1N=CN=N1;PODCDZCUFNHZAG-UHFFFAOYSA-N;97.08;0.84;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNda_SP1";;;;;;;0.04;;-7.97;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM441302;MM441302;CNCC1OC1C=COC;VOJDPDROKDRDFC-UHFFFAOYSA-N;143.19;0.13;;;;;DOPC;MDCG;27;1;"MARTINI bead: SP2_Na";;;;;;;-0.24;;-5.47;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM441303;MM441303;N=CNC1CC=C(CF)C1;VWLRVIYJRRZORA-UHFFFAOYSA-N;142.18;1.24;;;;;DOPC;MDCG;27;1;"MARTINI bead: SC5_SNd";;;;;;;1.64;;-3.97;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM441304;MM441304;C=Cc1non(CC)c1=O;DWLJJECLJRURGR-UHFFFAOYSA-N;140.14;0.5;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP2_SNa";;;;;;;-0.24;;-3.24;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM441305;MM441305;CCOC=CC(=NN)OC;BEVMHCDAGKEQSZ-UHFFFAOYSA-N;144.17;0.46;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_Nda";;;;;;;0.87;;-1.99;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM441306;MM441306;C=NNC1CC=C(CF)C1;AOSBWAZOZOHSJV-UHFFFAOYSA-N;142.18;1.25;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC5_SNd";;;;;;;1.64;;0.02;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM441307;MM441307;C=NNC(=N)C(=CN)CF;PNPPXVFMVRASJT-UHFFFAOYSA-N;144.15;-0.02;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda_P2";;;;;;;-0.24;;-3.31;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM441308;MM441308;CCn1onc(C=O)c1=O;ZZNCWMFQBVPNAU-UHFFFAOYSA-N;142.11;-0.33;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP2_SP1";;;;;;;-1.06;;-3.82;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM441309;MM441309;C=COC=CC(=NN)OC;DZEMMAFZFAROKX-UHFFFAOYSA-N;142.16;0.58;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda_Na";;;;;;;0.87;;-1.99;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM441310;MM441310;C=COC1CC=C(CO)C1;OKCGVZWSUHGPBV-UHFFFAOYSA-N;140.18;1.23;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNda_SC5";;;;;;;1.64;;0.05;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM441311;MM441311;CCCC1CN1N=COC;SMKOBMNKSLRQDU-UHFFFAOYSA-N;142.2;1.06;;;;;DOPC;MDCG;27;0;"MARTINI bead: SN0_P1";;;;;;;0.34;;-1.53;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM441312;MM441312;CCn1onc(C#N)c1=O;ZMSBDRSXKJEFQS-UHFFFAOYSA-N;139.11;-0.27;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP2_SNa";;;;;;;-0.24;;-3.24;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM441313;MM441313;N=c1oc(=NN)on1C=O;FCIMNXSKRZWWFI-UHFFFAOYSA-N;144.09;-2.03;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_SP2";;;;;;;-1.34;;-4.31;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM441314;MM441314;C=NN=CC(=NN)OC=O;ZEEOQLQITKAPGS-UHFFFAOYSA-N;142.12;-0.88;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_N0";;;;;;;0.34;;-1.53;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM441315;MM441315;CCCC1CC1C=CC#N;BGBZNYICQZZGHX-UHFFFAOYSA-N;135.21;2.5;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC2_N0";;;;;;;3.13;;0.3;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM441316;MM441316;C=Cc1non(NC)c1=N;OUBCMQIBEFDDGK-UHFFFAOYSA-N;140.15;-0.23;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP2_SNa";;;;;;;-0.24;;-3.24;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM441317;MM441317;C=Cn1oc(=NN)oc1=O;PCIRVHBDHLJUFK-UHFFFAOYSA-N;143.1;-1.09;;;;;DOPC;MDCG;27;0;"MARTINI bead: N0_SP2";;;;;;;0.06;;-2.21;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM441318;MM441318;CC=NN=C(NCC)OC;SXZOOXRHMJOZJW-UHFFFAOYSA-N;143.19;0.6;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_C5";;;;;;;0.81;;-0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM441319;MM441319;CNCC1CC1C=CC#N;GJMCMFPOGCRWJV-UHFFFAOYSA-N;136.2;0.92;;;;;DOPC;MDCG;27;1;"MARTINI bead: SNd_N0";;;;;;;1.17;;-4.22;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM441320;MM441320;CNn1onc(C=O)c1=N;FAYSZQSICFAWRJ-UHFFFAOYSA-N;142.12;-1.06;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP2_SP1";;;;;;;-1.06;;-3.82;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM441321;MM441321;N=Cn1oc(=NN)oc1=O;JDSXEJZTERKZOX-UHFFFAOYSA-N;144.09;-1.74;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_SP2";;;;;;;-1.34;;-4.31;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM441322;MM441322;COCOC(=NN)C(C)F;WQURPBXTNNTRJX-UHFFFAOYSA-N;150.15;0.24;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_C5";;;;;;;0.54;;-1.09;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM441323;MM441323;CCNC1CC1C=CC=O;YSUPLSGKIDZRKM-UHFFFAOYSA-N;139.2;0.74;;;;;DOPC;MDCG;27;1;"MARTINI bead: SNd_Na";;;;;;;0.87;;-4.57;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM441324;MM441324;C=Cc1non(NC)c1=O;ZWOMYGCNICKVFX-UHFFFAOYSA-N;141.13;-0.35;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP3_SNa";;;;;;;-1.1;;-4.2;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM441325;MM441325;NN=c1oc(=O)n(C=O)o1;ORQNDDLROOGMGN-UHFFFAOYSA-N;145.07;-2.15;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_SP2";;;;;;;-1.34;;-4.31;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM441326;MM441326;C=CCC1CC(CF)=NN1;PHUVQXSERRNEHA-UHFFFAOYSA-N;142.18;1.25;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP1_SNd";;;;;;;0.04;;-2.63;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM441327;MM441327;CCCC1NC1C=CC#N;PRIFPRSEVZCVRD-UHFFFAOYSA-N;136.2;1.21;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNd_N0";;;;;;;1.17;;-1.04;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM441328;MM441328;CNn1onc(C=O)c1=O;LFXUTURZUIOIBH-UHFFFAOYSA-N;143.1;-1.18;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP3_SP1";;;;;;;-1.93;;-4.72;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM441329;MM441329;COC(C=CC=NN)=NN;RDXXXIBXZZJWFE-UHFFFAOYSA-N;142.16;-0.59;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_Nd";;;;;;;0.04;;-2.63;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM441330;MM441330;C#CCOC(=NN)C(=C)F;HFOPFTSLWJSNFO-UHFFFAOYSA-N;142.13;0.39;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda_N0";;;;;;;1.17;;-1.13;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM441331;MM441331;O=CC=C1C=C(C=O)NN1;MMBPOFTVGBSFEN-UHFFFAOYSA-N;138.13;-0.74;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP2_SP2";;;;;;;-1.34;;-4.31;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM441332;MM441332;CNn1onc(C#N)c1=O;ARFWNTRZVVEESR-UHFFFAOYSA-N;140.1;-1.12;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP3_SNa";;;;;;;-1.1;;-4.2;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM441333;MM441333;CC#CC=CC(=NN)OC;OYBJSKJPGJDNAS-UHFFFAOYSA-N;138.17;0.48;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda_C4";;;;;;;2.2;;0.49;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM441334;MM441334;Cc1c(N)n(N)oc1=NN;SHEMKDUDIJVPNQ-UHFFFAOYSA-N;143.15;-1.54;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNd_SP2";;;;;;;-0.24;;-3.16;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM441335;MM441335;C=NN=CC1OC1CNC;NKOAMACSCWRAGJ-UHFFFAOYSA-N;141.17;-0.34;;;;;DOPC;MDCG;27;1;"MARTINI bead: SP2_N0";;;;;;;0.06;;-4.44;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM441336;MM441336;C=Cc1non(OC)c1=N;HRFWTWDQKXGXCZ-UHFFFAOYSA-N;141.13;-0.34;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP2_SNa";;;;;;;-0.24;;-3.24;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM441337;MM441337;CC=C1CC(OC)CC1C;XISOFYMEJKSCIT-UHFFFAOYSA-N;140.23;2.38;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC5_SC1";;;;;;;3.68;;0.46;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM441338;MM441338;CCC1=COC(CC#N)C1;PDWJEZFDBMJKIZ-UHFFFAOYSA-N;137.18;1.98;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC5_SNa";;;;;;;1.64;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM441339;MM441339;N#CC=C1N=C(C=O)NN1;GODNCOXWLMACAH-UHFFFAOYSA-N;136.11;-0.94;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP3_SP2";;;;;;;-2.2;;-5.19;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM441340;MM441340;C=Cc1non(OC)c1=O;CILOAUUFKIVGAJ-UHFFFAOYSA-N;142.11;-0.46;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP2_SNa";;;;;;;-0.24;;-3.24;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM441341;MM441341;CC=C1OC(C#N)CC1C;NYHMGNUEMHPRGP-UHFFFAOYSA-N;137.18;1.84;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC4_SP1";;;;;;;1.37;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM441342;MM441342;C=CCC1CC(CO)=CO1;BZXIADZGNUHZAW-UHFFFAOYSA-N;140.18;1.23;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP1_SC4";;;;;;;1.37;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM441343;MM441343;CN=c1c(F)c(N)on1C;KYWPBCRXDNQZCW-UHFFFAOYSA-N;145.14;-0.13;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP1_SNda";;;;;;;0.04;;-2.73;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM441344;MM441344;COn1onc(C=O)c1=O;WFTNUDJEIJVGOI-UHFFFAOYSA-N;144.09;-1.29;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP2_SP1";;;;;;;-1.06;;-3.82;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM441345;MM441345;COC(=NN)C(C)=CCF;OXWWTGDVBHDRLV-UHFFFAOYSA-N;146.17;0.82;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_C4";;;;;;;1.37;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM441346;MM441346;N#CCC1CC(CO)=CO1;ATDZIIYHJZVGDQ-UHFFFAOYSA-N;139.15;0.57;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP1_SNa";;;;;;;0.04;;-2.54;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM441347;MM441347;C#CC=CC1CC1CCC;FLSKOSAFPVXFNG-UHFFFAOYSA-N;134.22;2.61;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC2_C4";;;;;;;4.16;;0.44;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM441348;MM441348;COn1onc(C#N)c1=O;KGUNDWMCTRJYFK-UHFFFAOYSA-N;141.09;-1.23;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP2_SNa";;;;;;;-0.24;;-3.24;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM441349;MM441349;C=CC=C(C)C(=NN)OC;LFLQORACNUZGDV-UHFFFAOYSA-N;140.19;1.04;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_C1";;;;;;;2.08;;0.48;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM441350;MM441350;N#CCC1CC(CF)=CO1;GEKHUDVRPCHXHR-UHFFFAOYSA-N;141.15;1.54;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNa_SNa";;;;;;;0.87;;-2.22;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM441351;MM441351;C#CC=CC1CC1CCN;RFGBWWJNOMZOEN-UHFFFAOYSA-N;135.21;1.16;;;;;DOPC;MDCG;27;1;"MARTINI bead: SNd_C4";;;;;;;2.2;;-2.21;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM441352;MM441352;C#CC1=CCC(CC)C1=C;RZOTVVPVTJVORE-UHFFFAOYSA-N;132.21;2.53;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC2_SC5";;;;;;;3.6;;0.34;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM441353;MM441353;CCn1nc(NO)c(=O)o1;WAWAPUVCBIDIDG-UHFFFAOYSA-N;145.12;-0.34;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP2_SP2";;;;;;;-1.34;;-4.31;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM441354;MM441354;COC1=COC(CC#N)C1;WICONLFSPUUJEX-UHFFFAOYSA-N;139.15;1.18;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNa_SNa";;;;;;;0.87;;-2.22;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM441355;MM441355;C#CC=CC1CC1NCC;RKNQBEAUCHFPRA-UHFFFAOYSA-N;135.21;1.17;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_SC4";;;;;;;2.2;;-2.21;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM441356;MM441356;C#CC1=CCC(CN)C1=C;XJMCGSXFVQJVIH-UHFFFAOYSA-N;133.19;1.08;;;;;DOPC;MDCG;27;1;"MARTINI bead: SNd_SC5";;;;;;;1.64;;-2.64;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM441357;MM441357;COC(CC1CC1C)=NN;QPPZLPKYTCTXFP-UHFFFAOYSA-N;142.2;0.95;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda_SC5";;;;;;;1.64;;0.05;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM441358;MM441358;C=CCC1CC(CN)=NO1;FUTFMGBLGXSCOG-UHFFFAOYSA-N;140.19;0.67;;;;;DOPC;MDCG;27;1;"MARTINI bead: SP2_SC5";;;;;;;0.54;;-2.51;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM441359;MM441359;C#CC=CC1NC1CCN;HTKKKBXBXYCRAW-UHFFFAOYSA-N;136.2;-0.14;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1_SP1";;;;;;;-0.79;;-5.59;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM441360;MM441360;N#CC(CF)=NNC1CC1;JLKKIWQHHQWLKJ-UHFFFAOYSA-N;141.15;0.59;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_SP1";;;;;;;-0.79;;-3.13;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM441361;MM441361;CCn1nc(O)c(=NN)o1;PGOYFUVKXSEDDJ-UHFFFAOYSA-N;144.13;-1.02;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP2_SP2";;;;;;;-1.34;;-4.31;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM441362;MM441362;Cc1c(F)n(C)oc1=NN;CLMSBHKPWISZIW-UHFFFAOYSA-N;145.14;-0.16;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNa_SP2";;;;;;;-0.24;;-3.24;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM441363;MM441363;C#CC=CC1NC1CNC;XNHPSWWPSOHZNA-UHFFFAOYSA-N;136.2;-0.26;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1_SP1";;;;;;;-0.79;;-5.28;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM441364;MM441364;C#CC1=CCC(CF)C1=C;PMVNCWHAFWESLJ-UHFFFAOYSA-N;136.17;2.09;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC5_SC5";;;;;;;2.41;;0.64;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM441365;MM441365;N=c1nn[nH]n(O)c1=NN;NALDARPFKYQDOS-UHFFFAOYSA-N;143.11;-2.9;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP3_SP2";;;;;;;-2.2;;-9.59;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM441366;MM441366;Cc1c(F)n(N)oc1=NN;VKJARYBOUGKIJA-UHFFFAOYSA-N;146.13;-0.98;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNa_SP2";;;;;;;-0.24;;-3.24;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM441367;MM441367;C#CC=CC1OC1CCN;MJVBFDKSNONDPK-UHFFFAOYSA-N;137.18;0.29;;;;;DOPC;MDCG;27;1;"MARTINI bead: SP1_N0";;;;;;;0.34;;-4.25;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM441368;MM441368;C#CC1=CCC(NC)C1=C;ATHFBRQQXBDLEC-UHFFFAOYSA-N;133.19;1.09;;;;;DOPC;MDCG;27;1;"MARTINI bead: SNd_SC5";;;;;;;1.64;;-2.08;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM441369;MM441369;CCC(=NN)OC1CC1C;SNROJBJYAPOLLS-UHFFFAOYSA-N;142.2;1.09;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_SC5";;;;;;;0.81;;-0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM441370;MM441370;C=CCC1CC(CF)=NO1;PNPRYLLSZLJBLH-UHFFFAOYSA-N;143.16;1.68;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNa_SC5";;;;;;;1.64;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM441371;MM441371;C#CC=CC1OC1CNC;CFVNGSFTFLTQIV-UHFFFAOYSA-N;137.18;0.16;;;;;DOPC;MDCG;27;1;"MARTINI bead: SP2_N0";;;;;;;0.06;;-4.45;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM441372;MM441372;C#CC1=CCC(OC)C1=C;SULOBSQDOGHADK-UHFFFAOYSA-N;134.18;1.52;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC5_SC5";;;;;;;2.41;;0.64;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM441373;MM441373;CCn1oc(=O)c(=NO)o1;LGZXJSPWDIJDKG-UHFFFAOYSA-N;146.1;-0.66;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP1_SP1";;;;;;;-0.79;;-3.13;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM441374;MM441374;C=CCC1CC(OC)=NO1;CBEBHOARASHKRL-UHFFFAOYSA-N;141.17;1.31;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNa_SC5";;;;;;;1.64;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM441375;MM441375;C=CCC1CC1C=CCO;WCUXFSFAYKWTBI-UHFFFAOYSA-N;138.21;1.75;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda_SC4";;;;;;;2.2;;0.49;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM441376;MM441376;C#Cc1c[nH]c(CC)c1O;ZYYBXBTYWJXRFF-UHFFFAOYSA-N;135.17;1.26;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC5_SNda";;;;;;;1.64;;0.05;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM441377;MM441377;COC(CC1OC1C)=NN;KVAFSMMAYDTDHR-UHFFFAOYSA-N;144.17;0.08;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda_SNa";;;;;;;0.87;;-1.99;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM441378;MM441378;COC1=NOC(CC#N)C1;DJKQPFXNUWNXKA-UHFFFAOYSA-N;140.14;0.65;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNa_SNa";;;;;;;0.87;;-2.22;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM441379;MM441379;C=CCC1CC1C=NNC;SGMCHGJYBLMQNW-UHFFFAOYSA-N;138.21;1.4;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_SC4";;;;;;;1.09;;-0.38;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM441380;MM441380;C#Cc1c[nH]c(CO)c1O;NMUCUPXZHLUOPP-UHFFFAOYSA-N;137.14;0.19;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNda_SNda";;;;;;;0.87;;-2.07;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM441381;MM441381;C=CC(=NN)OC1CC1F;BGWKEBQZJJBZSI-UHFFFAOYSA-N;144.15;0.57;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda_SNa";;;;;;;0.87;;-1.99;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM441382;MM441382;C=CCC1CNC(CC)=N1;DRGCLPJLPHJSOI-UHFFFAOYSA-N;138.21;1.34;;;;;DOPC;MDCG;27;1;"MARTINI bead: SNd_SN0";;;;;;;1.17;;-4.07;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM441383;MM441383;CNN=CC1CC1CC#N;HPQYEUFAQOOMBE-UHFFFAOYSA-N;137.19;0.74;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_SC5";;;;;;;0.54;;-1.09;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM441384;MM441384;C#CC1=NNC(CC)C1=C;XJYDQSFLMKELPN-UHFFFAOYSA-N;134.18;0.91;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNd_SP1";;;;;;;0.04;;-2.63;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM441385;MM441385;C=C1COC(=NN)CC1=C;SARQCYYWXFWLJC-UHFFFAOYSA-N;138.17;0.79;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNda_SC5";;;;;;;1.64;;0.05;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM441386;MM441386;C=CCC1CNC(CN)=N1;YKJRDIBJHJLWGX-UHFFFAOYSA-N;139.2;-0.11;;;;;DOPC;MDCG;27;1;"MARTINI bead: SP2_SN0";;;;;;;0.06;;-3.91;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM441387;MM441387;C=NNC1CC1C=NOC;YSDAECUWNZDXGI-UHFFFAOYSA-N;141.17;0.21;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_SNd";;;;;;;0.87;;-1.88;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM441388;MM441388;C#CC1=NNC(CN)C1=C;NITCTLNHRWGWBU-UHFFFAOYSA-N;135.17;-0.54;;;;;DOPC;MDCG;27;1;"MARTINI bead: SP1_SP1";;;;;;;-0.79;;-4.71;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM441389;MM441389;CN=c1nc(N)c(C)no1;VAEACLCHBLXMBX-UHFFFAOYSA-N;140.15;-0.51;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP2_SP3";;;;;;;-2.2;;-5.19;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM441390;MM441390;N#CCC1CNC(CO)=N1;TVQATZFOBAQJNO-UHFFFAOYSA-N;139.16;-0.74;;;;;DOPC;MDCG;27;1;"MARTINI bead: SP1_SP1";;;;;;;-0.79;;-4.51;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM441391;MM441391;C=NNC=NCCC=CF;WWXVQJWDFBHULC-UHFFFAOYSA-N;143.17;1.09;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4_P1";;;;;;;1.37;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM441392;MM441392;CN=c1nnoc(O)c1F;WBHGIOSHAGLMAV-UHFFFAOYSA-N;145.09;-0.56;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNa_SP2";;;;;;;-0.24;;-8.5;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM441393;MM441393;CC(CNCC#N)C(=O)O;HADDVDGNAHBPTK-UHFFFAOYSA-N;142.16;-0.18;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda_P3";;;;;;;-1.1;;-8.44;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM441394;MM441394;C=CCC1CNC(CF)=N1;ORTDCPFYCPCBFU-UHFFFAOYSA-N;142.18;0.9;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNda_SN0";;;;;;;1.17;;-1.13;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM441395;MM441395;CON=CC1NC1CC#N;GFMVIZBHVXVAEZ-UHFFFAOYSA-N;139.16;-0.13;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_SP2";;;;;;;-1.06;;-3.82;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM441396;MM441396;CC#CC1=NC(=CO)N=N1;QCDPQPJLLWLJGR-UHFFFAOYSA-N;135.13;1.23;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC5_SNda";;;;;;;1.64;;-5.58;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM441397;MM441397;O=C(O)C#CC(O)C(=O)O;DRMVUPVZWPUBFW-UHFFFAOYSA-N;144.08;-1.48;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_P1";;;;;;;-1.06;;-8.85;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM441398;MM441398;N#CCC1CNC(CF)=N1;CRIZIEDCVNKEIP-UHFFFAOYSA-N;141.15;0.24;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNda_SP1";;;;;;;0.04;;-2.73;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM441399;MM441399;CNN=CC1OC1CC#N;LSRHGYWHRCFPJM-UHFFFAOYSA-N;139.16;-0.13;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_SNa";;;;;;;-0.24;;-3.24;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM441400;MM441400;C#CC1=COC(CC)C1=C;CKWIADASEVYZSK-UHFFFAOYSA-N;134.18;1.87;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC5_SN0";;;;;;;1.94;;0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM441401;MM441401;CNN=c1oc(O)c(F)o1;WXLOSWXSACYKLQ-UHFFFAOYSA-N;148.09;-0.25;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_SP2";;;;;;;-1.34;;-9.38;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM441402;MM441402;C=CCC1CN=C(NC)N1;HPDMJZKRAOZAEG-UHFFFAOYSA-N;139.2;0.11;;;;;DOPC;MDCG;27;1;"MARTINI bead: SP1_SN0";;;;;;;0.34;;-5.88;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM441403;MM441403;C=CCC1OC1C=NOC;OOJIVBOPZLBNMI-UHFFFAOYSA-N;141.17;0.96;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_SNa";;;;;;;0.04;;-2.54;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM441404;MM441404;C#CC1=COC(CN)C1=C;FWRCSEFDOSIWIO-UHFFFAOYSA-N;135.17;0.42;;;;;DOPC;MDCG;27;1;"MARTINI bead: SP1_SN0";;;;;;;0.34;;-3.53;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM441405;MM441405;NN=c1cc(F)n(N)nn1;KOCSFOBIMGCBNF-UHFFFAOYSA-N;144.11;-2.09;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP3_SP1";;;;;;;-1.93;;-4.72;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM441406;MM441406;CNC1=NCC(CC#N)N1;IWBYKEGJBLVSIQ-UHFFFAOYSA-N;138.17;-0.55;;;;;DOPC;MDCG;27;1;"MARTINI bead: SP1_SP1";;;;;;;-0.79;;-5.24;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM441407;MM441407;CON=CC1OC1CC#N;SFAPBUVTUZTHAY-UHFFFAOYSA-N;140.14;0.3;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_SNa";;;;;;;0.04;;-2.54;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM441408;MM441408;C#CC1=NOC(CC)C1=C;YTXRALUNRBYGJT-UHFFFAOYSA-N;135.17;1.34;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC5_SN0";;;;;;;1.94;;0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM441409;MM441409;CC1=C(C)OC(=NN)CC1;SYSIRCGPNQTNPH-UHFFFAOYSA-N;140.19;1.36;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC4_SNda";;;;;;;2.2;;0.49;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM441410;MM441410;N#CCC1CC=C(CO)O1;VXUMNSBGIJWICB-UHFFFAOYSA-N;139.15;0.57;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP1_SN0";;;;;;;0.34;;-1.53;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM441411;MM441411;C=NNC=NCCC=NN;UUYDPXKICYATPK-UHFFFAOYSA-N;141.18;-0.45;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nd_P1";;;;;;;0.04;;-2.63;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM441412;MM441412;C#CC1=NOC(CN)C1=C;BHYRODLDVVVLMO-UHFFFAOYSA-N;136.15;-0.11;;;;;DOPC;MDCG;27;1;"MARTINI bead: SP1_SN0";;;;;;;0.34;;-2.96;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM441413;MM441413;NN=c1on(C=O)oc1=O;SWAVELCDVTVVEU-UHFFFAOYSA-N;145.07;-2.15;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP1_SP2";;;;;;;-1.06;;-3.82;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM441414;MM441414;N#CCC1CC=C(CF)O1;PYVQAYQJKPTMFY-UHFFFAOYSA-N;141.15;1.54;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNa_SN0";;;;;;;1.17;;-1.18;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM441415;MM441415;COC=NN1CC1CC#N;ZLWCNJFBWBYLIM-UHFFFAOYSA-N;139.16;0.17;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_SP2";;;;;;;-1.06;;-3.82;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM441416;MM441416;ON=c1[nH]c(O)no1;HRSIIPLQUUSIOY-UHFFFAOYSA-N;117.06;-1;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP3_SP1";;;;;;;-1.93;;-9.08;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM441417;MM441417;Cn1cc(CF)c(=NN)o1;OMVAKXOXILQHNB-UHFFFAOYSA-N;145.14;-0.14;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNa_SP2";;;;;;;-0.24;;-3.24;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM441418;MM441418;C=Cn1oc(=O)c(=NO)o1;UIBDKHUSJFXEGG-UHFFFAOYSA-N;144.09;-0.58;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP1_SP1";;;;;;;-0.79;;-3.13;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM441419;MM441419;C=CC=CC1CC1CC=C;KBVYHDJBEKUQDW-UHFFFAOYSA-N;134.22;2.94;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC4_C1";;;;;;;4.24;;0.42;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM441420;MM441420;CN=c1nc(F)c(O)no1;JRXVTDIIHUKTPD-UHFFFAOYSA-N;145.09;-0.56;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP2_SP2";;;;;;;-1.34;;-9.51;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM441421;MM441421;C=CCC1OC=C(CF)O1;KMHJJJMPNHBOMX-UHFFFAOYSA-N;144.15;1.75;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNa_SNa";;;;;;;0.87;;-2.22;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM441422;MM441422;N=Cn1oc(=O)c(=NO)o1;NIZCJNFLJKPHDB-UHFFFAOYSA-N;145.07;-1.22;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP1_SP2";;;;;;;-1.06;;-3.82;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM441423;MM441423;C=CCC1CC1C=CC#N;ZQEWWBRPIKENGK-UHFFFAOYSA-N;133.19;2.28;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC4_N0";;;;;;;2.5;;0.44;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM441424;MM441424;C#Cc1con(CC)c1=O;ZFEPPGGZBCFJPS-UHFFFAOYSA-N;137.14;0.44;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP1_SN0";;;;;;;0.34;;-1.53;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM441425;MM441425;C=CCN1CC=C(CC)C1;UYMHPGYAJPJRPY-UHFFFAOYSA-N;137.23;1.82;;;;;DOPC;MDCG;27;1;"MARTINI bead: SN0_SNd";;;;;;;1.17;;-2.67;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM441426;MM441426;O=Cn1oc(=O)c(=NO)o1;RVAJYZBAVAEEFO-UHFFFAOYSA-N;146.06;-1.64;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP1_SP2";;;;;;;-1.06;;-3.82;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM441427;MM441427;C=CC=CC1CC1CC#N;LSTYFYQMZQIDPO-UHFFFAOYSA-N;133.19;2.28;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4_SC5";;;;;;;2.97;;0.45;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM441428;MM441428;C#Cc1con(NC)c1=N;MNXQRCYUWWGOQN-UHFFFAOYSA-N;137.14;-0.28;;;;;DOPC;MDCG;27;1;"MARTINI bead: SP2_SN0";;;;;;;0.06;;-3.37;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM441429;MM441429;CCC1=CCN(CC#N)C1;ATCITHDFEYFADG-UHFFFAOYSA-N;136.2;1.16;;;;;DOPC;MDCG;27;0;"MARTINI bead: SN0_SNd";;;;;;;1.17;;-1.04;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM441430;MM441430;CC=C1CC(=CC)C(C)C1;IXHKPRKBNZKOCC-UHFFFAOYSA-N;136.24;3.31;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC1_SC1";;;;;;;4.95;;0.69;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM441431;MM441431;O=CC=CC1CC1CC=O;HWBYMGHOKYJHSH-UHFFFAOYSA-N;138.17;0.97;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNa_Na";;;;;;;0.87;;-2.22;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM441432;MM441432;C#Cc1non(CC)c1=N;LPSZJIWZRQGPOU-UHFFFAOYSA-N;137.14;-0.04;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP2_SNa";;;;;;;-0.24;;-3.24;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM441433;MM441433;C=CCN1CC=C(CN)C1;FNGXWYFIIAFUKQ-UHFFFAOYSA-N;138.21;0.37;;;;;DOPC;MDCG;27;1;"MARTINI bead: SP2_SNd";;;;;;;-0.24;;-5.14;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM441434;MM441434;CC=C1CC(C)C(=CC)O1;RNOSIYRVHMQEGS-UHFFFAOYSA-N;138.21;2.85;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC5_SC4";;;;;;;2.97;;0.45;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM441435;MM441435;N#CCC1CC1C=CC=O;SDZSXFPCRCYMRK-UHFFFAOYSA-N;135.17;1.29;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_SC5";;;;;;;1.64;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM441436;MM441436;C#Cc1non(CC)c1=O;LYSSCBSRJKOCHT-UHFFFAOYSA-N;138.13;-0.16;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP2_SNa";;;;;;;-0.24;;-3.24;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM441437;MM441437;C=Cc1cn(N)oc1=NN;QWNROSLFCPTEJD-UHFFFAOYSA-N;140.15;-0.79;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP2_SN0";;;;;;;0.06;;-2.21;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM441438;MM441438;CC(=O)ON=C(N)C(=O)O;DZNCVGNUGLIJIP-UHFFFAOYSA-N;146.1;-1.09;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_P1";;;;;;;-0.79;;-8.46;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM441439;MM441439;N#CC=CC1CC1CC=O;AHAIGWXQYODCFZ-UHFFFAOYSA-N;135.17;1.29;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNa_N0";;;;;;;1.17;;-1.18;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM441440;MM441440;C#Cc1non(NC)c1=N;CEMJCAOYVOGPDE-UHFFFAOYSA-N;138.13;-0.89;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP2_SNa";;;;;;;-0.24;;-3.24;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM441441;MM441441;C#CCC1CC=C(CN)C1;CTBHPQOTSZGYNF-UHFFFAOYSA-N;135.21;1.3;;;;;DOPC;MDCG;27;1;"MARTINI bead: SNd_SC4";;;;;;;2.2;;-1.67;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM441442;MM441442;CC1=C(F)CCC(=NN)O1;DERFQPGJLLPZGD-UHFFFAOYSA-N;144.15;1.27;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNa_SNda";;;;;;;0.87;;-1.99;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM441443;MM441443;N#CC=CC1CC1CC#N;BINLNUMSUIAQMU-UHFFFAOYSA-N;132.17;1.62;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC5_N0";;;;;;;1.94;;0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM441444;MM441444;C#Cc1non(NC)c1=O;AJBSQNZWUIXHAV-UHFFFAOYSA-N;139.11;-1.01;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP3_SNa";;;;;;;-1.1;;-4.2;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM441445;MM441445;C#CCC1CC=C(CF)C1;NVHBIDMPZSYRJK-UHFFFAOYSA-N;138.19;2.32;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC5_SC4";;;;;;;2.97;;0.45;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM441446;MM441446;N#CCNN=CC(=O)O;ZPTNLFKZNSBMIG-UHFFFAOYSA-N;127.1;-0.83;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_P1";;;;;;;-0.79;;-8.46;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM441447;MM441447;C=NN=CC1CC1CC#N;DCHZDZQUWLNDQK-UHFFFAOYSA-N;135.17;1.22;;;;;DOPC;MDCG;27;0;"MARTINI bead: N0_SC5";;;;;;;1.94;;0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM441448;MM441448;C#Cc1non(OC)c1=N;BIBQPAUACUDDRX-UHFFFAOYSA-N;139.11;-1;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP2_SNa";;;;;;;-0.24;;-3.24;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM441449;MM441449;C#CCC1CC=C(OC)C1;DFTSOCAHMIGUIK-UHFFFAOYSA-N;136.19;1.95;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC5_SC4";;;;;;;2.97;;0.45;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM441450;MM441450;CN=c1nc(O)oc(=O)[nH]1;CZAYFSVMZJRZON-UHFFFAOYSA-N;143.1;-1.4;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP2_SP3";;;;;;;-2.2;;-9.59;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM441451;MM441451;C=COC1CC1C=NN=C;RELDDVOPNOTWKC-UHFFFAOYSA-N;138.17;1.22;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNa_C5";;;;;;;1.64;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM441452;MM441452;C#Cc1non(OC)c1=O;PPIGYLOMPGELOJ-UHFFFAOYSA-N;140.1;-1.12;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP2_SNa";;;;;;;-0.24;;-3.24;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM441453;MM441453;C#CCC1CC(CC)=NN1;VXKYJLTZUOZTDO-UHFFFAOYSA-N;136.2;1.14;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP1_SNd";;;;;;;0.04;;-2.63;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM441454;MM441454;OCc1nnc(O)o1;RMIBAZZHBCEWJW-UHFFFAOYSA-N;116.08;-0.73;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP2_SP1";;;;;;;-1.06;;-8.85;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM441455;MM441455;C=CC=CC1NC1CC#N;XPNURQYGCJFJSC-UHFFFAOYSA-N;134.18;0.98;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4_SP2";;;;;;;1.09;;-0.38;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM441456;MM441456;C=CC1CC=C(CC)C1=C;OUENIZYICJKHBC-UHFFFAOYSA-N;134.22;3.08;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC1_SC3";;;;;;;4.61;;0.31;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM441457;MM441457;C#Cc1cn(C)oc1=NN;YCQOPMOMVPQLLW-UHFFFAOYSA-N;137.14;-0.63;;;;;DOPC;MDCG;27;0;"MARTINI bead: SN0_SP2";;;;;;;0.06;;-2.21;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM441458;MM441458;O=c1nc(CF)c(O)no1;XZMJHDGNZFZROM-UHFFFAOYSA-N;146.08;-0.4;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP2_SP3";;;;;;;-2.2;;-9.59;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM441459;MM441459;C#CC=NNC=NCCC;BVSZHNCKPVHAMV-UHFFFAOYSA-N;137.19;0.63;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4_P1";;;;;;;1.37;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM441460;MM441460;C=CC1CC=C(CN)C1=C;BBMUSLCRJBQZEM-UHFFFAOYSA-N;135.21;1.63;;;;;DOPC;MDCG;27;1;"MARTINI bead: SNd_SC3";;;;;;;2.57;;-0.92;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM441461;MM441461;C#CCC1CC(CF)=NN1;BFJKFQSJPDSMCZ-UHFFFAOYSA-N;140.16;0.7;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP1_SNd";;;;;;;0.04;;-2.63;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM441462;MM441462;Oc1nnoc1O;BYOGNIUZESKBDW-UHFFFAOYSA-N;102.05;-0.52;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP1_SP1";;;;;;;-0.79;;-8.47;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM441463;MM441463;N#CCC1NC1C=CC=O;RAIIMFWPTYGJMB-UHFFFAOYSA-N;136.15;;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_SP2";;;;;;;-0.24;;-3.24;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM441464;MM441464;C=NN=CNC1CC1;JMLPVIOLHYYWBE-UHFFFAOYSA-N;111.15;0.38;;;;;DOPC;MDCG;27;0;"MARTINI bead: N0_SP1";;;;;;;0.34;;-1.53;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM441465;MM441465;C#CC(OC)C(=NN)OC;VLURXXAMKZHACP-UHFFFAOYSA-N;142.16;-0.45;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_P1";;;;;;;0.04;;-2.54;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM441466;MM441466;N#Cc1cc(O)[nH]n1;MXXYMJJIPMRBFQ-UHFFFAOYSA-N;109.09;-0.01;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP1_SNda";;;;;;;0.04;;-7.99;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM441467;MM441467;C=CCC1NC1C=NN=C;GPXZOHLYJOYJSX-UHFFFAOYSA-N;137.19;0.59;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNd_N0";;;;;;;1.17;;-1.04;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM441468;MM441468;C=CC1CC=C(CF)C1=C;KTNYXTDVIYOOCT-UHFFFAOYSA-N;138.19;2.64;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC5_SC3";;;;;;;3.34;;0.48;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM441469;MM441469;C#CCC1CC(CC)=CO1;ZFURLCAPEOHXKR-UHFFFAOYSA-N;136.19;2.09;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC5_SC5";;;;;;;2.41;;0.64;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM441470;MM441470;Nn1c(O)c(F)nnc1=O;BULQWNWAMONLDS-UHFFFAOYSA-N;146.08;-1.8;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP4_SP1";;;;;;;-2.01;;-9.08;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM441471;MM441471;C=CC=CC1OC1CC=C;YDTPIXZKXFNOJE-UHFFFAOYSA-N;136.19;2.07;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNa_C4";;;;;;;2.2;;0.34;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM441472;MM441472;C=C1C(CC)=CCC1C=O;WBAZQAKJWHOUCZ-UHFFFAOYSA-N;136.19;2.1;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC1_SNa";;;;;;;2.91;;0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM441473;MM441473;C#CCC1CC(CN)=CO1;CICPQNQTKCNQSJ-UHFFFAOYSA-N;137.18;0.64;;;;;DOPC;MDCG;27;1;"MARTINI bead: SP1_SC5";;;;;;;0.81;;-2.66;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM441474;MM441474;N#CC(=O)CCC(=O)O;QUAGSYNZLDNHFW-UHFFFAOYSA-N;127.1;-0.06;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_P1";;;;;;;-0.79;;-8.48;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM441475;MM441475;C=CC=CC1OC1CC#N;OYDQHYKVXMOXDG-UHFFFAOYSA-N;135.17;1.41;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4_SNa";;;;;;;2.2;;0.34;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM441476;MM441476;C=C1C(CC)=CCC1C#N;TXNYRMSYJUNLSB-UHFFFAOYSA-N;133.19;2.42;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC1_SN0";;;;;;;3.21;;0.46;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM441477;MM441477;C#CCC1CC(CO)=CO1;FWCVNBUCPQANTQ-UHFFFAOYSA-N;138.17;0.67;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP1_SC5";;;;;;;0.81;;-0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM441478;MM441478;N#CCOC(=O)CC(=O)O;WLIRJZVJUBRQCI-UHFFFAOYSA-N;143.1;-0.47;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_P1";;;;;;;-0.79;;-8.48;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM441479;MM441479;N#CC=CC1OC1CC=O;KEWRIDMUMOPXOC-UHFFFAOYSA-N;137.14;0.42;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP1_N0";;;;;;;0.34;;-1.53;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM441480;MM441480;C=C1C(CO)=CCC1C#N;VTLZIPNPBVKVFL-UHFFFAOYSA-N;135.17;1;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNda_SN0";;;;;;;1.17;;-1.13;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM441481;MM441481;C#CCC1CC(CF)=CO1;RCOSBOLZYPFUBG-UHFFFAOYSA-N;140.16;1.65;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNa_SC5";;;;;;;1.64;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM441482;MM441482;O=C(O)n1oc(O)nc1=O;MNWIPEFTENRYLM-UHFFFAOYSA-N;146.06;-0.93;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP1_SP2";;;;;;;-1.06;;-8.86;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM441483;MM441483;N#CC=CC1OC1CC#N;RTDQURLEAIJZTC-UHFFFAOYSA-N;134.14;0.75;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNa_N0";;;;;;;1.17;;-1.18;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM441484;MM441484;C=Cc1[nH]cc(CC)c1O;QFVCQCHWRFFWOD-UHFFFAOYSA-N;137.18;1.93;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNda_SNd";;;;;;;0.87;;-1.92;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM441485;MM441485;C#CCC1CC(OC)=CO1;XTBXCDOOHKDWLI-UHFFFAOYSA-N;138.17;1.29;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNa_SC5";;;;;;;1.64;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM441486;MM441486;Oc1nnc(F)o1;WJIDGBJNNWDYBL-UHFFFAOYSA-N;104.04;-0.09;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP1_SP1";;;;;;;-0.79;;-8.48;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM441487;MM441487;C=CC=CC1CN1CC=C;KLQUGTRPWZAZLT-UHFFFAOYSA-N;135.21;1.6;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNd_C4";;;;;;;2.2;;0.32;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM441488;MM441488;C=Cc1[nH]cc(CO)c1O;CJEOWNIGLMWKTR-UHFFFAOYSA-N;139.15;0.86;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP1_SNd";;;;;;;0.04;;-2.63;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM441489;MM441489;C#CCC1CC(CC)=NO1;IMDAMQKQFSSQTM-UHFFFAOYSA-N;137.18;1.56;;;;;DOPC;MDCG;27;0;"MARTINI bead: SN0_SNa";;;;;;;1.17;;-1.18;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM441490;MM441490;O=c1cnc(=NO)[nH]nn1;DHEWXFPGQVVBGR-UHFFFAOYSA-N;141.09;-2.15;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP3_SP4";;;;;;;-3.15;;-10.28;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM441491;MM441491;C=CCN1CC1C=CC=O;PBYVLPLLMMQAMH-UHFFFAOYSA-N;137.18;0.61;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNd_Na";;;;;;;0.87;;-1.88;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM441492;MM441492;C=CC1NN=C(CC)C1=C;UBQWRFTYADFZJW-UHFFFAOYSA-N;136.2;1.47;;;;;DOPC;MDCG;27;0;"MARTINI bead: SN0_SNd";;;;;;;1.17;;-1.04;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM441493;MM441493;C#CCC1CC(CN)=NO1;VEAFMNCMKMNVHI-UHFFFAOYSA-N;138.17;0.11;;;;;DOPC;MDCG;27;1;"MARTINI bead: SP2_SNa";;;;;;;-0.24;;-4.66;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM441494;MM441494;N#CCC(NC=O)C(=O)O;QIHDKEAIAVPSAN-UHFFFAOYSA-N;142.11;-0.9;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_P2";;;;;;;-1.06;;-8.86;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM441495;MM441495;C=CCN1CC1C=CC#N;BKWMLAAECCYMQQ-UHFFFAOYSA-N;134.18;0.94;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNd_N0";;;;;;;1.17;;-1.04;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM441496;MM441496;CC(C)(C)CC(C)(C)O;BSYJHYLAMMJNRC-UHFFFAOYSA-N;130.23;2.19;;;;;DOPC;MDCG;27;0;"MARTINI bead: C3_Nda";;;;;;;2.57;;0.44;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM441497;MM441497;CC=C(OC)C(=NN)OC;WBCFXFYTUDNKHE-UHFFFAOYSA-N;144.17;0.46;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_P1";;;;;;;0.81;;-0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM441498;MM441498;N#Cc1nnn(C=N)c1O;MOTZSTOZIHNNOK-UHFFFAOYSA-N;137.1;-0.69;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP1_SP2";;;;;;;-1.06;;-8.86;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM441499;MM441499;C#CC=CC1CC1CC=C;ORIJTSBTJPHKRX-UHFFFAOYSA-N;132.21;2.39;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC4_N0";;;;;;;2.5;;0.44;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM441500;MM441500;O=c1o[nH]nc1C=C(F)F;MAYFCWYHINSQSE-UHFFFAOYSA-N;148.07;0.6;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNa_SP2";;;;;;;-0.24;;-8.51;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM441501;MM441501;C#CCC1CC(CF)=NO1;SHTDLERTAYFBDI-UHFFFAOYSA-N;141.15;1.12;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNa_SNa";;;;;;;0.87;;-2.22;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM441502;MM441502;N#CC(N)=NCCC(=O)O;MJJFMAMIMNTBGT-UHFFFAOYSA-N;141.13;-0.66;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_P1";;;;;;;-1.06;;-8.86;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM441503;MM441503;C#CC=CC1CC1CC=O;VHZAPARQJLTVEU-UHFFFAOYSA-N;134.18;1.4;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNa_C4";;;;;;;2.2;;0.34;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM441504;MM441504;C=CC1OC=C(CC)C1=C;UYSHLLUIFGUAGV-UHFFFAOYSA-N;136.19;2.42;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC5_SC5";;;;;;;2.41;;0.64;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM441505;MM441505;C#CCC1CNC(CC)=N1;MZFWSQWRPXLTPC-UHFFFAOYSA-N;136.2;0.79;;;;;DOPC;MDCG;27;1;"MARTINI bead: SNd_SP1";;;;;;;0.04;;-5.47;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM441506;MM441506;C=C1CC(=CC)CC1=CC;NGTUJRYFAKPSOT-UHFFFAOYSA-N;134.22;3.23;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC1_SC1";;;;;;;4.95;;0.69;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM441507;MM441507;C#CC=CC1CC1CC#N;IVOCLNPOCSDVGL-UHFFFAOYSA-N;131.18;1.73;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4_SC5";;;;;;;2.97;;0.45;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM441508;MM441508;C=CC1OC=C(CN)C1=C;GSTBBGWWOHGUFQ-UHFFFAOYSA-N;137.18;0.97;;;;;DOPC;MDCG;27;1;"MARTINI bead: SP1_SC5";;;;;;;0.81;;-2.6;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM441509;MM441509;C#CCC1CNC(CN)=N1;KXLREZYYEWVVNB-UHFFFAOYSA-N;137.19;-0.66;;;;;DOPC;MDCG;27;1;"MARTINI bead: SP2_SP1";;;;;;;-1.06;;-5.38;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM441510;MM441510;C=C1CC(NN)=NC1=CC;NTLLIAZUPXGHIW-UHFFFAOYSA-N;137.19;0.71;;;;;DOPC;MDCG;27;1;"MARTINI bead: SC4_SNd";;;;;;;2.2;;-1.23;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM441511;MM441511;C#CC=CC1CC1NC=N;LFWIURBRMMCLME-UHFFFAOYSA-N;134.18;0.76;;;;;DOPC;MDCG;27;1;"MARTINI bead: SP1_C4";;;;;;;1.37;;-3.98;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM441512;MM441512;C=C1C(CC)=COC1C=O;UZBSMXNKDFKWAU-UHFFFAOYSA-N;138.17;1.43;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC5_SNa";;;;;;;1.64;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM441513;MM441513;C#CCC1CNC(CF)=N1;YBNIXGLJERRKPP-UHFFFAOYSA-N;140.16;0.35;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNda_SP1";;;;;;;0.04;;-2.73;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM441514;MM441514;C=c1[nH]c(=NC)[nH]c1=CC;POEVSNLMHPXXSN-UHFFFAOYSA-N;137.19;-0.92;;;;;DOPC;MDCG;27;1;"MARTINI bead: SN0_SP1";;;;;;;0.34;;-5.17;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM441515;MM441515;C#CC=CC1CC1NN=C;XTQZECSZPSJADS-UHFFFAOYSA-N;134.18;0.77;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNd_C4";;;;;;;2.2;;0.32;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM441516;MM441516;C=C1C(CC)=COC1C#N;SGVCMWUIRDAKOJ-UHFFFAOYSA-N;135.17;1.76;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC5_SNa";;;;;;;1.64;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM441517;MM441517;C#CCC1CN=C(NC)N1;HWXRPEJPMJTERY-UHFFFAOYSA-N;137.19;-0.44;;;;;DOPC;MDCG;27;1;"MARTINI bead: SP1_SP1";;;;;;;-0.79;;-7.36;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM441518;MM441518;C=c1[nH]c(=NN)[nH]c1=CC;OVPWIDJVECRBJK-UHFFFAOYSA-N;138.17;-1.67;;;;;DOPC;MDCG;27;1;"MARTINI bead: SN0_SP2";;;;;;;0.06;;-4.35;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM441519;MM441519;C#CC=CC1CC1OC=C;HVACYHQZRTUJNP-UHFFFAOYSA-N;134.18;1.72;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNa_C4";;;;;;;2.2;;0.34;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM441520;MM441520;O=CON=C(C=O)C(=O)O;JSELQMKLJPDQML-UHFFFAOYSA-N;145.07;-1.2;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda_P2";;;;;;;-0.24;;-8.4;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM441521;MM441521;C#CCC1CN=C(NO)N1;FGYNGAHOMRRWAB-UHFFFAOYSA-N;139.16;-0.68;;;;;DOPC;MDCG;27;1;"MARTINI bead: SP2_SP1";;;;;;;-1.06;;-5.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM441522;MM441522;C=c1[nH]c(=NC)[nH]c1=CF;ZYYAJRNYHQNMHA-UHFFFAOYSA-N;141.15;-1.01;;;;;DOPC;MDCG;27;1;"MARTINI bead: SP1_SP1";;;;;;;-0.79;;-5.49;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM441523;MM441523;C#CC1C(=O)N(NC)C1C;OGSXLFVBSIACRZ-UHFFFAOYSA-N;138.17;-0.4;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP2_SP2";;;;;;;-1.34;;-4.31;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM441524;MM441524;NN=c1[nH]nnc(=O)o1;KKSXJHLDNCDNJX-UHFFFAOYSA-N;129.08;-2.47;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP3_SP3";;;;;;;-3.07;;-10.28;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM441525;MM441525;C#CCC1CC=C(CO)O1;CNASFDVYEFOMEI-UHFFFAOYSA-N;138.17;0.67;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP1_SC5";;;;;;;0.81;;-0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM441526;MM441526;C#CC=CC1NC1CC#N;GFSQWOHCVXCZDV-UHFFFAOYSA-N;132.17;0.43;;;;;DOPC;MDCG;27;0;"MARTINI bead: N0_SP2";;;;;;;0.06;;-2.21;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM441527;MM441527;C=c1oc(=CC)[nH]c1=NC;HMFLTVZXRFZJQQ-UHFFFAOYSA-N;138.17;-0.65;;;;;DOPC;MDCG;27;1;"MARTINI bead: SN0_SNd";;;;;;;1.17;;-3.68;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM441528;MM441528;C=CC1ON=C(CC)C1=C;IWOXRAJGDAMXHA-UHFFFAOYSA-N;137.18;1.89;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC5_SNa";;;;;;;1.64;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM441529;MM441529;COC=COC(CF)=NN;VYOZQIVIPCWNCA-UHFFFAOYSA-N;148.14;0.36;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_Nda";;;;;;;0.87;;-1.99;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM441530;MM441530;C#CC=CC1OC1CC=O;LBBGUOCEOCRRNO-UHFFFAOYSA-N;136.15;0.53;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP1_N0";;;;;;;0.34;;-1.53;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM441531;MM441531;N#CCC(=O)NCC(=O)O;URJSUWWPQFTYCL-UHFFFAOYSA-N;142.11;-0.9;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_P2";;;;;;;-1.06;;-8.86;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM441532;MM441532;C=CC1ON=C(CN)C1=C;WYFLKRNMNMRNLW-UHFFFAOYSA-N;138.17;0.44;;;;;DOPC;MDCG;27;1;"MARTINI bead: SP1_SNa";;;;;;;0.04;;-3.89;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM441533;MM441533;C#CCC1OC=C(CC)O1;AMBANOSCCVKXJG-UHFFFAOYSA-N;138.17;1.63;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNa_SNa";;;;;;;0.87;;-2.22;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM441534;MM441534;C#CC=CC1OC1CC#N;RYQOYHWVORCEDR-UHFFFAOYSA-N;133.15;0.86;;;;;DOPC;MDCG;27;0;"MARTINI bead: N0_SNa";;;;;;;1.17;;-1.18;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM441535;MM441535;C=C1CC(=CC)OC1=CC;BJXKAXFTTJTJBW-UHFFFAOYSA-N;136.19;2.77;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC5_SC5";;;;;;;2.41;;0.64;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM441536;MM441536;N#CC1(CC(=O)O)CN1;IMXKDLXTLDLWFC-UHFFFAOYSA-N;126.12;-0.67;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_SP2";;;;;;;-1.06;;-8.98;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM441537;MM441537;C#CCC1OC=C(CO)O1;IIOZDUVPALUHAY-UHFFFAOYSA-N;140.14;0.22;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP1_SNa";;;;;;;0.04;;-2.54;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM441538;MM441538;C#CC=CC1CN1CC=C;ISMOSKUOCRQQDD-UHFFFAOYSA-N;133.19;1.05;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNd_N0";;;;;;;1.17;;-1.04;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM441539;MM441539;CC=c1[nH]c(=N)c(=CC)o1;XJNANKBVRIZDAK-UHFFFAOYSA-N;138.17;-0.31;;;;;DOPC;MDCG;27;1;"MARTINI bead: SNd_SP1";;;;;;;0.04;;-5.76;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM441540;MM441540;COc1n[nH]c(=NO)o1;HCTGLUSCJGQMQF-UHFFFAOYSA-N;131.09;-0.7;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP1_SP3";;;;;;;-1.93;;-9.08;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM441541;MM441541;C#CCC1ON=C(CO)O1;UDDIKSTVLGVLFC-UHFFFAOYSA-N;141.13;-0.31;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP2_SNa";;;;;;;-0.24;;-3.24;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM441542;MM441542;C#CCC1CC1C=NNC;WSJONUXBAXTUSG-UHFFFAOYSA-N;136.2;0.85;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_SC4";;;;;;;1.09;;-0.38;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM441543;MM441543;CC=c1[nH]c(=N)c(=CN)o1;LKKYQWMSLSJZSV-UHFFFAOYSA-N;139.16;-1.42;;;;;DOPC;MDCG;27;1;"MARTINI bead: SNd_SP2";;;;;;;-0.24;;-6.08;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM441544;MM441544;C=CC1ON=C(OC)C1=C;VIILCTZVSZOMDO-UHFFFAOYSA-N;139.15;1.09;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNa_SNa";;;;;;;0.87;;-2.22;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM441545;MM441545;C=NN=COC(CF)=NN;JVOVJXMCJDSVBU-UHFFFAOYSA-N;146.13;-0.11;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda_Na";;;;;;;0.87;;-1.99;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM441546;MM441546;C#CCC1NC1C=CCN;HJKHSISSTZLVTB-UHFFFAOYSA-N;136.2;-0.14;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1_SP1";;;;;;;-0.79;;-5.38;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM441547;MM441547;CC=c1[nH]c(=N)c(=CF)o1;LJAKOMCQHSYLEP-UHFFFAOYSA-N;142.13;-0.4;;;;;DOPC;MDCG;27;1;"MARTINI bead: SNd_SP1";;;;;;;0.04;;-3.84;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM441548;MM441548;C=C1C(CN)=CCN1C=N;BHDYWGPKNBXJLD-UHFFFAOYSA-N;137.19;0.31;;;;;DOPC;MDCG;27;1;"MARTINI bead: SP2_SNd";;;;;;;-0.24;;-5.65;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM441549;MM441549;C#CC=COC(CF)=NN;XETIPLPDDOBTFF-UHFFFAOYSA-N;142.13;0.39;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda_Na";;;;;;;0.87;;-1.99;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM441550;MM441550;C#CCC1NC1C=NOC;JADCENPGBHWCDM-UHFFFAOYSA-N;138.17;-0.02;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_SP1";;;;;;;-0.79;;-3.13;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM441551;MM441551;CC=c1[nH]c(=O)c(=CC)o1;CKNBWEZIMDLJRM-UHFFFAOYSA-N;139.15;-0.43;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNd_SP1";;;;;;;0.04;;-2.63;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM441552;MM441552;C=C1C(CO)=CCN1C=N;JMNVXEBCPONTNS-UHFFFAOYSA-N;138.17;0.34;;;;;DOPC;MDCG;27;1;"MARTINI bead: SP2_SNd";;;;;;;-0.24;;-5.55;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM441553;MM441553;C=CC(=NN)ON=COC;GUSVKQZVYLPJPL-UHFFFAOYSA-N;143.15;0.05;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_N0";;;;;;;0.34;;-1.53;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM441554;MM441554;C#CCC1OC1C=CCC;FEAKYFWMJZKFKY-UHFFFAOYSA-N;136.19;1.74;;;;;DOPC;MDCG;27;0;"MARTINI bead: C3_SNa";;;;;;;2.57;;0.45;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM441555;MM441555;CC=c1oc(=CF)[nH]c1=O;ZNPNEBQWUUSTIN-UHFFFAOYSA-N;143.12;-0.52;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP1_SNda";;;;;;;0.04;;-2.73;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM441556;MM441556;C=C1C(CN)=CCN1C=O;VGYVQECDPMBKQQ-UHFFFAOYSA-N;138.17;-0.14;;;;;DOPC;MDCG;27;1;"MARTINI bead: SP2_SNda";;;;;;;-0.24;;-5.07;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM441557;MM441557;C#CCN1CC=C(CC)C1;BLEXLQMDAQDUMY-UHFFFAOYSA-N;135.21;1.27;;;;;DOPC;MDCG;27;1;"MARTINI bead: SN0_SNd";;;;;;;1.17;;-2.16;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM441558;MM441558;C#CCC1OC1C=CCF;JUNZNKZEXRECJC-UHFFFAOYSA-N;140.16;1.3;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_SNa";;;;;;;0.87;;-2.22;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM441559;MM441559;CC=c1[nH]c(=O)c(=CN)o1;QFIXVSXFPHHPGM-UHFFFAOYSA-N;140.14;-1.54;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNd_SP2";;;;;;;-0.24;;-3.16;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM441560;MM441560;N#CC(=O)COCC(=O)O;DJLPFQBFVZRNJN-UHFFFAOYSA-N;143.1;-0.82;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_P1";;;;;;;-1.06;;-8.99;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM441561;MM441561;C#CCN1CC=C(CN)C1;MNCONGLZVUYVCY-UHFFFAOYSA-N;136.2;-0.18;;;;;DOPC;MDCG;27;1;"MARTINI bead: SP2_SNd";;;;;;;-0.24;;-5.09;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM441562;MM441562;C#CCC1OC1C=NNC;IOADIUGIHXXHSR-UHFFFAOYSA-N;138.17;-0.02;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_SNa";;;;;;;-0.24;;-3.24;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM441563;MM441563;NC=c1oc(=CF)[nH]c1=O;GFVFYZSYLCQJOX-UHFFFAOYSA-N;144.11;-1.63;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP2_SNda";;;;;;;-0.24;;-3.31;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM441564;MM441564;O=C(O)n1onc(O)c1=O;JQRSFNATENYXHJ-UHFFFAOYSA-N;146.06;-0.93;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP4_SP1";;;;;;;-2.01;;-9.09;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM441565;MM441565;C=CC1=CCC(CCC)C1;HMGVUKOCXWTXOL-UHFFFAOYSA-N;136.24;3.31;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC1_SC3";;;;;;;4.61;;0.31;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM441566;MM441566;C#CCC1OC1C=NOC;JWLLHMLTQXSGOI-UHFFFAOYSA-N;139.15;0.41;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_SNa";;;;;;;0.04;;-2.54;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM441567;MM441567;CC=c1[nH]c(=O)c(=CF)o1;IFFMLVHACORILV-UHFFFAOYSA-N;143.12;-0.52;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNd_SP1";;;;;;;0.04;;-2.63;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM441568;MM441568;CC(N=C(N)C#N)C(=O)O;ATGGEBVOMGUQAN-UHFFFAOYSA-N;141.13;-0.66;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_Nda";;;;;;;-0.24;;-8.41;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM441569;MM441569;C=CC1=CCC(CCN)C1;OZNALCMMZZMFJK-UHFFFAOYSA-N;137.23;1.86;;;;;DOPC;MDCG;27;1;"MARTINI bead: SC5_SC3";;;;;;;3.34;;0.34;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM441570;MM441570;C#CCC1CC1C=CC=C;GFVUVLHIWIOLJD-UHFFFAOYSA-N;132.21;2.39;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4_SC4";;;;;;;3.53;;0.53;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM441571;MM441571;O=c1[nH]c(=CF)oc1=CF;PUOXKIOUTXLHJJ-UHFFFAOYSA-N;147.08;-0.62;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNda_SP1";;;;;;;0.04;;-2.73;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM441572;MM441572;CCCC(=O)C#CC(=O)O;SKEWBBWXBQFWBI-UHFFFAOYSA-N;140.14;0.44;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_P1";;;;;;;0.81;;-5.99;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM441573;MM441573;CCCC1CC=C(C=O)C1;NHOUWTWGCQQGOF-UHFFFAOYSA-N;138.21;2.32;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC1_SNa";;;;;;;2.91;;0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM441574;MM441574;C#CCC1CC1C=CC#N;VLNLDSPLBQGSOZ-UHFFFAOYSA-N;131.18;1.73;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC4_N0";;;;;;;2.5;;0.44;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM441575;MM441575;CCC1=CC(C)C(CC)C1;ZBMHQWXTVIXQPZ-UHFFFAOYSA-N;138.25;3.39;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC1_SC2";;;;;;;4.87;;0.53;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM441576;MM441576;C=Cn1occ(CC)c1=N;HETSAWLPTAMFCN-UHFFFAOYSA-N;138.17;1.22;;;;;DOPC;MDCG;27;1;"MARTINI bead: SN0_SP1";;;;;;;0.34;;-3.45;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM441577;MM441577;C=CC1=CCC(CNC)C1;DNQBVWQDGJHXQP-UHFFFAOYSA-N;137.23;1.73;;;;;DOPC;MDCG;27;1;"MARTINI bead: SC5_SC3";;;;;;;3.34;;-0.03;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM441578;MM441578;C#CCC1CC1C=NN=C;FWGCNCLKUAHTRP-UHFFFAOYSA-N;134.18;1.33;;;;;DOPC;MDCG;27;0;"MARTINI bead: N0_SC4";;;;;;;2.5;;0.44;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM441579;MM441579;CCC1CC(CF)=CC1C;REJGNCXZBFVNHB-UHFFFAOYSA-N;142.22;2.95;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC1_SC5";;;;;;;3.68;;0.46;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM441580;MM441580;C=Cn1occ(CN)c1=N;IBLVERRRMLLURB-UHFFFAOYSA-N;139.16;0.12;;;;;DOPC;MDCG;27;1;"MARTINI bead: SP1_SP1";;;;;;;-0.79;;-4.82;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM441581;MM441581;C=CC1=CCC(NCC)C1;DGBRCAZLSSNQCV-UHFFFAOYSA-N;137.23;1.87;;;;;DOPC;MDCG;27;1;"MARTINI bead: SC5_SC3";;;;;;;3.34;;0.14;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM441582;MM441582;C#CCC1NC1C=NN=C;RFTZGYDAQIUHCK-UHFFFAOYSA-N;135.17;0.04;;;;;DOPC;MDCG;27;0;"MARTINI bead: N0_SP1";;;;;;;0.34;;-1.53;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM441583;MM441583;CCC1CC(OC)=CC1C;FOSVIZURXJHIIJ-UHFFFAOYSA-N;140.23;2.58;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC1_SC5";;;;;;;3.68;;0.46;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM441584;MM441584;C=Cn1occ(CC)c1=O;GNYLWZQORNDTHS-UHFFFAOYSA-N;139.15;1.1;;;;;DOPC;MDCG;27;0;"MARTINI bead: SN0_SP1";;;;;;;0.34;;-1.53;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM441585;MM441585;C=CC1=NNC(CCC)C1;OITIEZMZLOXVDE-UHFFFAOYSA-N;138.21;1.69;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNd_SP1";;;;;;;0.04;;-2.63;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM441586;MM441586;C#CCC1OC1C=CC=C;CYAKRHKOQBPOTI-UHFFFAOYSA-N;134.18;1.52;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4_SNa";;;;;;;2.2;;0.34;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM441587;MM441587;C=CC1=CC(C)C(CC)C1;CSQPRTRUYOTYCR-UHFFFAOYSA-N;136.24;3.16;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC1_SC3";;;;;;;4.61;;0.31;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM441588;MM441588;C=Nn1occ(CC)c1=N;KMXNLJVYUAKPTG-UHFFFAOYSA-N;139.16;0.59;;;;;DOPC;MDCG;27;0;"MARTINI bead: SN0_SP1";;;;;;;0.34;;-1.53;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM441589;MM441589;C=CC1=COC(CCC)C1;JQIRSXHWCSFNOX-UHFFFAOYSA-N;138.21;2.65;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC4_SC5";;;;;;;2.97;;0.45;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM441590;MM441590;C#CCC1OC1C=CC#N;UIBOJBUKRQLPBX-UHFFFAOYSA-N;133.15;0.86;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNa_N0";;;;;;;1.17;;-1.18;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM441591;MM441591;CC1C=C(CO)CN1C=N;MLOGNBXGRKXJBG-UHFFFAOYSA-N;140.19;0.22;;;;;DOPC;MDCG;27;1;"MARTINI bead: SP2_SNd";;;;;;;-0.24;;-6.09;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM441592;MM441592;C=Cn1onc(CC)c1=N;WYZVCBQQJFCDPT-UHFFFAOYSA-N;139.16;0.62;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNa_SP2";;;;;;;-0.24;;-3.24;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM441593;MM441593;CCCC1CC(C#N)=CO1;FNJSWYDOKHBINB-UHFFFAOYSA-N;137.18;1.98;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC4_SN0";;;;;;;2.5;;0.44;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM441594;MM441594;C#CCN1CC1C=CC=C;AACRJJSMGRFMFU-UHFFFAOYSA-N;133.19;1.05;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4_SNd";;;;;;;2.2;;0.32;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM441595;MM441595;CC1C=C(CF)CN1C=N;NDIREFAOBCBYLU-UHFFFAOYSA-N;142.18;1.19;;;;;DOPC;MDCG;27;1;"MARTINI bead: SNa_SNd";;;;;;;0.87;;-4.83;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM441596;MM441596;C#CC(C)(C)C(C)(C)O;XJXIXFMWDJNRMM-UHFFFAOYSA-N;126.2;1.42;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda_C4";;;;;;;2.2;;0.49;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM441597;MM441597;C=CC1=CCN(CCC)C1;UMVGTNQAFKFMDZ-UHFFFAOYSA-N;137.23;1.82;;;;;DOPC;MDCG;27;1;"MARTINI bead: SC5_SP1";;;;;;;0.81;;-2.89;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM441598;MM441598;C#CCN1CC1C=CC#N;DAKTVVSWLKKUDC-UHFFFAOYSA-N;132.17;0.38;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNd_N0";;;;;;;1.17;;-1.04;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM441599;MM441599;CCC1=CC(C)N(C=O)C1;GJWVJOWRUBVLNL-UHFFFAOYSA-N;139.2;1.18;;;;;DOPC;MDCG;27;0;"MARTINI bead: SN0_SNda";;;;;;;1.17;;-1.13;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM441600;MM441600;C=Cn1onc(CF)c1=N;QULCDRLHZPKMLV-UHFFFAOYSA-N;143.12;0.53;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNa_SP2";;;;;;;-0.24;;-3.24;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM441601;MM441601;CCCN1CC=C(C=O)C1;XUVDWZFMLRMIFR-UHFFFAOYSA-N;139.2;0.84;;;;;DOPC;MDCG;27;1;"MARTINI bead: SC5_SP1";;;;;;;0.81;;-1.68;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM441602;MM441602;C#CCN1CC1C=NN=C;KNXBTKCYIUAKIX-UHFFFAOYSA-N;135.17;-0.01;;;;;DOPC;MDCG;27;0;"MARTINI bead: N0_SNd";;;;;;;1.17;;-1.04;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM441603;MM441603;C=NN1CC(CC)=CC1C;QKNUQCKXFRAKPX-UHFFFAOYSA-N;138.21;1.64;;;;;DOPC;MDCG;27;0;"MARTINI bead: SN0_SN0";;;;;;;1.47;;-0.05;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM441604;MM441604;CCc1non(C=N)c1=N;YBUMZYZAVNWXBX-UHFFFAOYSA-N;140.15;-0.03;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNa_SP3";;;;;;;-1.1;;-4.2;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM441605;MM441605;C=CCC1CC=C(C=C)C1;UTUDIQXQMOAIOG-UHFFFAOYSA-N;134.22;3.08;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC1_SC3";;;;;;;4.61;;0.31;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM441606;MM441606;C#CC=CC1CC1CC#C;QFLDYELEASZBNU-UHFFFAOYSA-N;130.19;1.84;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC4_C4";;;;;;;3.53;;0.53;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM441607;MM441607;C=NN1CC(CN)=CC1C;ZMIMEJNLUMZBRX-UHFFFAOYSA-N;139.2;0.19;;;;;DOPC;MDCG;27;1;"MARTINI bead: SP2_SN0";;;;;;;0.06;;-4.11;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM441608;MM441608;N=Cn1onc(CN)c1=N;MIBBACRAFQNPDT-UHFFFAOYSA-N;141.13;-1.13;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP2_SP3";;;;;;;-2.2;;-5.19;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM441609;MM441609;C=CC1=CCC(CC=O)C1;RIFMAULIHGDMFM-UHFFFAOYSA-N;136.19;2.1;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC3_SC5";;;;;;;3.34;;0.48;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM441610;MM441610;C#CC=CC1CN1CC#C;AAHGPWXSMSHPGR-UHFFFAOYSA-N;131.18;0.49;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNd_N0";;;;;;;1.17;;-1.04;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM441611;MM441611;CC1C2C(=NN)OCC12C;IQXIYQSFLYHFPE-UHFFFAOYSA-N;140.19;0.56;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNda_SC4";;;;;;;2.2;;0.49;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM441612;MM441612;C=CC1=CCC(CC#N)C1;XUWYFRVZAFLYHL-UHFFFAOYSA-N;133.19;2.42;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC3_SC5";;;;;;;3.34;;0.48;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM441613;MM441613;CCCC(C)C(C)(C)O;BFKOEFFCVFMWPF-UHFFFAOYSA-N;130.23;2.19;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1_Nda";;;;;;;2.91;;0.57;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM441614;MM441614;CC=CC1CC1C=NNC;LIRIAHVQZVXGCU-UHFFFAOYSA-N;138.21;1.4;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nd_SC3";;;;;;;2.57;;0.53;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM441615;MM441615;C=NN1CC(CF)=CC1C;NQGOEDCZVDZFEG-UHFFFAOYSA-N;142.18;1.2;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNa_SN0";;;;;;;1.17;;-1.18;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM441616;MM441616;C=CCC1CC=C(C=O)C1;VONSNQGMBHRFBJ-UHFFFAOYSA-N;136.19;2.1;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC1_SNa";;;;;;;2.91;;0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM441617;MM441617;N=Cn1onc(CF)c1=N;UVFMTUQORIGLTO-UHFFFAOYSA-N;144.11;-0.12;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNa_SP3";;;;;;;-1.1;;-4.2;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM441618;MM441618;CC=CC1CC1C=NOC;XGOXCUNQBFLSLZ-UHFFFAOYSA-N;139.2;1.83;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_SC3";;;;;;;1.74;;0.29;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM441619;MM441619;C=CC1=CC(C)C(C=C)C1;HCBSYQKYEWBOOT-UHFFFAOYSA-N;134.22;2.94;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC3_SC3";;;;;;;4.27;;0.2;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM441620;MM441620;C=CCC1CC=C(C#N)C1;LMCADUFADALQEG-UHFFFAOYSA-N;133.19;2.42;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC1_SN0";;;;;;;3.21;;0.46;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM441621;MM441621;CCc1non(C=O)c1=N;RTWZXMJJIBYZRV-UHFFFAOYSA-N;141.13;-0.44;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNa_SP3";;;;;;;-1.1;;-4.2;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM441622;MM441622;CC=CC1NC1C=CCN;PUJKBAVAMHMFDZ-UHFFFAOYSA-N;138.21;0.42;;;;;DOPC;MDCG;27;1;"MARTINI bead: SNd_P1";;;;;;;0.04;;-4.87;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM441623;MM441623;C=CC1=CC(C)N(C=N)C1;NEJKBCVKKJQWQO-UHFFFAOYSA-N;136.2;1.41;;;;;DOPC;MDCG;27;1;"MARTINI bead: SP1_SNd";;;;;;;0.04;;-5.53;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM441624;MM441624;N#CCC1CC=C(C=O)C1;VFENBVKLLDHKLD-UHFFFAOYSA-N;135.17;1.44;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNa_SC5";;;;;;;1.64;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM441625;MM441625;N=c1c(CO)non1C=O;HDUACQCGHSZUCW-UHFFFAOYSA-N;143.1;-1.51;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP1_SP3";;;;;;;-1.93;;-4.72;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM441626;MM441626;C#CC(C#CC1CO1)=NN;RCWUMWPVIUGETC-UHFFFAOYSA-N;134.14;-0.66;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nd_SNa";;;;;;;0.87;;-1.88;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM441627;MM441627;CC1C=C(C=O)CN1C=N;ZUUHVHATDRXTHY-UHFFFAOYSA-N;138.17;0.42;;;;;DOPC;MDCG;27;1;"MARTINI bead: SP1_SNd";;;;;;;0.04;;-5.46;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM441628;MM441628;N#CC1=CCC(CC=O)C1;BVAQDVNMQHBERD-UHFFFAOYSA-N;135.17;1.44;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC5_SN0";;;;;;;1.94;;0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM441629;MM441629;N=c1c(CF)non1C=O;JCJKJGNJTNRKCG-UHFFFAOYSA-N;145.09;-0.54;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNa_SP3";;;;;;;-1.1;;-4.2;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM441630;MM441630;CC=CC1OC1C=CCC;SWMSSTCRDCASJI-UHFFFAOYSA-N;138.21;2.3;;;;;DOPC;MDCG;27;0;"MARTINI bead: C3_SNa";;;;;;;2.57;;0.45;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM441631;MM441631;CC1C=C(C#N)CN1C=N;CNQZISTZXLUJPL-UHFFFAOYSA-N;135.17;0.75;;;;;DOPC;MDCG;27;1;"MARTINI bead: SP1_SNd";;;;;;;0.04;;-5.29;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM441632;MM441632;N#CC1=CCC(NC=N)C1;PGABFGBNIAHKMF-UHFFFAOYSA-N;135.17;0.8;;;;;DOPC;MDCG;27;1;"MARTINI bead: SNd_SN0";;;;;;;1.17;;-5.1;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM441633;MM441633;C=Cn1onc(CC)c1=O;QPTMXBDUZYFDAF-UHFFFAOYSA-N;140.14;0.5;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNa_SP2";;;;;;;-0.24;;-3.24;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM441634;MM441634;CN=CN1CC1C=CCO;YJBZHKVZIOWIJT-UHFFFAOYSA-N;140.19;-0.12;;;;;DOPC;MDCG;27;1;"MARTINI bead: SP1_Nda";;;;;;;0.04;;-4.72;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM441635;MM441635;C=NNC1CC=C(C=O)C1;AZTCHFQEKMSOIG-UHFFFAOYSA-N;138.17;0.48;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNd_SNa";;;;;;;0.87;;-1.88;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM441636;MM441636;C=CC1=CC(C)N(C=O)C1;HPJMWTLCMVZAFJ-UHFFFAOYSA-N;137.18;0.96;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP1_SNda";;;;;;;0.04;;-2.73;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM441637;MM441637;C=Cn1onc(CO)c1=O;SKZCDXDJNPTZHB-UHFFFAOYSA-N;142.11;-0.57;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP1_SP2";;;;;;;-1.06;;-3.82;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM441638;MM441638;CN=CN1CC1C=CCF;GECQHEKZNKXOFY-UHFFFAOYSA-N;142.18;0.85;;;;;DOPC;MDCG;27;1;"MARTINI bead: SP1_Na";;;;;;;0.04;;-4.53;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM441639;MM441639;C=COC1CC=C(C=O)C1;TXPIPLCUYQTRNB-UHFFFAOYSA-N;138.17;1.43;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC5_SNa";;;;;;;1.64;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM441640;MM441640;CC1C=C(C=O)CN1C=O;PWUAQJFFPZCQEY-UHFFFAOYSA-N;139.15;-0.03;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP1_SNda";;;;;;;0.04;;-2.73;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM441641;MM441641;C=Cn1onc(CF)c1=O;UWCUCJSQYIRSCV-UHFFFAOYSA-N;144.11;0.41;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNa_SP2";;;;;;;-0.24;;-3.24;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM441642;MM441642;O=CN1CC(F)C=N1;QIRFLAVXHOYEOQ-UHFFFAOYSA-N;116.1;-0.22;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP1_SP2";;;;;;;-1.06;;-3.82;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM441643;MM441643;C=COC1CC=C(C#N)C1;KNNFVXZABNPEBJ-UHFFFAOYSA-N;135.17;1.76;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC5_SN0";;;;;;;1.94;;0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM441644;MM441644;C=CC1=CC(C)N(N=C)C1;PBEALMZWGXOMIQ-UHFFFAOYSA-N;136.2;1.42;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP1_SN0";;;;;;;0.34;;-1.53;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM441645;MM441645;CCc1non(C=N)c1=O;DZVMGTOMZAUVGA-UHFFFAOYSA-N;141.13;-0.15;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNa_SP3";;;;;;;-1.1;;-4.2;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM441646;MM441646;N=C1C(=O)CC2CN12;NUESEMAYOLMDBI-UHFFFAOYSA-N;110.12;-0.38;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP1_SP2";;;;;;;-1.06;;-3.82;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM441647;MM441647;C=CCC1CC(C=O)=CN1;JIMBNKZFRLEWDK-UHFFFAOYSA-N;137.18;1.01;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNd_SP2";;;;;;;-0.24;;-3.16;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM441648;MM441648;C=NN1CC(C=O)=CC1C;XKGHUGIMSCLWMO-UHFFFAOYSA-N;138.17;0.43;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP1_SN0";;;;;;;0.34;;-1.53;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM441649;MM441649;N=Cn1onc(CO)c1=O;JBIZNSNJPKVKQO-UHFFFAOYSA-N;143.1;-1.22;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP1_SP3";;;;;;;-1.93;;-4.72;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM441650;MM441650;CC=NN1CC1C=CCF;NGHDXSRJGNXEJD-UHFFFAOYSA-N;142.18;1.2;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP1_Na";;;;;;;0.04;;-2.54;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM441651;MM441651;C=CC=NOC(C=C)=NN;LMNNAZXYRCMYPD-UHFFFAOYSA-N;139.16;0.63;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nd_Na";;;;;;;0.87;;-1.88;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM441652;MM441652;C#CC1=CC(C)N(C=N)C1;QSXPQUYKPSUVRG-UHFFFAOYSA-N;134.18;0.86;;;;;DOPC;MDCG;27;1;"MARTINI bead: SP1_SNd";;;;;;;0.04;;-5.34;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM441653;MM441653;N=Cn1onc(CF)c1=O;ULRFTEOGIOKWMY-UHFFFAOYSA-N;145.09;-0.24;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNa_SP3";;;;;;;-1.1;;-4.2;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM441654;MM441654;C=CC=CC1CC1C=CC;ZIMOGNAUGDHWBO-UHFFFAOYSA-N;134.22;2.94;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC3_C1";;;;;;;4.61;;0.31;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM441655;MM441655;CC=NN=CC(C#N)=CN;ZBUGDXAAUMWYJU-UHFFFAOYSA-N;136.16;0.43;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_P1";;;;;;;0.81;;-0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM441656;MM441656;C#CC1=CC(C)N(C=O)C1;PPHDOCDHRDJRTQ-UHFFFAOYSA-N;135.17;0.41;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP1_SNda";;;;;;;0.04;;-2.73;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM441657;MM441657;CCc1non(C=O)c1=O;ZMHSZVIDIPBIOB-UHFFFAOYSA-N;142.11;-0.56;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNa_SP2";;;;;;;-0.24;;-3.24;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM441658;MM441658;CC=CC1CC1C=CC=O;QSYLRGFYPFQXBU-UHFFFAOYSA-N;136.19;1.95;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC3_Na";;;;;;;2.57;;0.45;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM441659;MM441659;C=CC1=COC(CC#N)C1;YDXDUFJWEVNDOX-UHFFFAOYSA-N;135.17;1.76;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC5_SNa";;;;;;;1.64;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM441660;MM441660;C#CC1=CC(C)N(N=C)C1;SQSZPNOJUOSUJM-UHFFFAOYSA-N;134.18;0.87;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP1_SN0";;;;;;;0.34;;-1.53;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM441661;MM441661;O=Cn1onc(CO)c1=O;YNBCPHBKZPRZPH-UHFFFAOYSA-N;144.09;-1.63;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP1_SP2";;;;;;;-1.06;;-3.82;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM441662;MM441662;C=CC=CC1CC1C=NN;JIEGGDFSEHZSEK-UHFFFAOYSA-N;136.2;1.31;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNd_C4";;;;;;;2.2;;0.32;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM441663;MM441663;C=CCC1CC(C#N)=CO1;AHEPTFXRFIXMBG-UHFFFAOYSA-N;135.17;1.76;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC4_SN0";;;;;;;2.5;;0.44;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM441664;MM441664;C#CC1CC(CF)=CC1C;BBHVNVIQTIYCBG-UHFFFAOYSA-N;138.19;2.17;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC5_SC5";;;;;;;2.41;;0.64;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM441665;MM441665;O=Cn1onc(CF)c1=O;KXFGAQVUVFGHMG-UHFFFAOYSA-N;146.08;-0.66;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNa_SP2";;;;;;;-0.24;;-3.24;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM441666;MM441666;C=NN=CC1CC1C=NN;XIMYRATVFPFORU-UHFFFAOYSA-N;138.17;0.25;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNd_C5";;;;;;;1.64;;0.02;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM441667;MM441667;C=CC1=NOC(CC#N)C1;STJSUPAZMKFJKL-UHFFFAOYSA-N;136.15;1.23;;;;;DOPC;MDCG;27;0;"MARTINI bead: SN0_SNa";;;;;;;1.17;;-1.18;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM441668;MM441668;C#CC1CC(OC)=CC1C;VENJCWAKURSSGF-UHFFFAOYSA-N;136.19;1.81;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC5_SC5";;;;;;;2.41;;0.64;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM441669;MM441669;C=Cn1onc(OC)c1=N;KOHIZIWVOGCZDA-UHFFFAOYSA-N;141.13;0.06;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNa_SP2";;;;;;;-0.24;;-3.24;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM441670;MM441670;CC=CC1NC1C=CC=O;BSENJQTYJNEPSZ-UHFFFAOYSA-N;137.18;0.66;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNd_Na";;;;;;;0.87;;-1.88;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM441671;MM441671;N#CCC1CC(C=O)=NO1;FFBWRNMLIVQQNF-UHFFFAOYSA-N;138.13;0.24;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP1_SNa";;;;;;;0.04;;-2.54;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM441672;MM441672;CCc1nc(=O)n(CC)o1;RFZSKARJXWSVRB-UHFFFAOYSA-N;142.16;0.42;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNa_SP2";;;;;;;-0.24;;-3.24;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM441673;MM441673;COc1non(C=N)c1=N;FBRYZLCPHFIFMM-UHFFFAOYSA-N;142.12;-0.58;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNa_SP3";;;;;;;-1.1;;-4.2;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM441674;MM441674;CC=CC1NC1C=CC#N;UDIDFDZXDPICFP-UHFFFAOYSA-N;134.18;0.98;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNd_N0";;;;;;;1.17;;-1.04;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM441675;MM441675;C=CC1=NC(CC#N)CN1;AHBJOEQBUIBLIU-UHFFFAOYSA-N;135.17;0.46;;;;;DOPC;MDCG;27;1;"MARTINI bead: SNd_SP1";;;;;;;0.04;;-5.11;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM441676;MM441676;CCn1oc(CO)nc1=O;FKJRCYQDTDQYET-UHFFFAOYSA-N;144.13;-0.65;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP2_SP1";;;;;;;-1.06;;-3.82;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM441677;MM441677;COc1non(C=O)c1=N;UZZCVOYULCTKBW-UHFFFAOYSA-N;143.1;-1;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNa_SP3";;;;;;;-1.1;;-4.2;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM441678;MM441678;C=CC=CC1NC1C=NN;OWCORICRVIWCMK-UHFFFAOYSA-N;137.19;0.01;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP2_C4";;;;;;;1.09;;-0.38;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM441679;MM441679;C=CC1=CCC(CC#N)O1;PMSBRJVUHVINGQ-UHFFFAOYSA-N;135.17;1.76;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNa_SN0";;;;;;;1.17;;-1.18;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM441681;MM441681;C=Cn1onc(OC)c1=O;FSEBGBSNHIIMBN-UHFFFAOYSA-N;142.11;-0.05;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNa_SP2";;;;;;;-0.24;;-3.24;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM441680;MM441680;CCn1oc(CF)nc1=O;PIJXDHDAWPUEAS-UHFFFAOYSA-N;146.12;0.33;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP2_SNa";;;;;;;-0.24;;-3.24;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM441682;MM441682;C=NN=CC1NC1C=CC;SNZKHAIVXYANOF-UHFFFAOYSA-N;137.19;0.59;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNd_N0";;;;;;;1.17;;-1.04;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM441683;MM441683;C=CCC1CC=C(C#N)O1;ITDOLCLWEGGLKT-UHFFFAOYSA-N;135.17;1.76;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC4_SNa";;;;;;;2.2;;0.34;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM441684;MM441684;COc1non(C=N)c1=O;VMNHFVBACOLQTF-UHFFFAOYSA-N;143.1;-0.7;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNa_SP3";;;;;;;-1.1;;-4.2;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM441685;MM441685;CCn1oc(NC)nc1=N;HGHWKUROXYYDOO-UHFFFAOYSA-N;142.16;0.02;;;;;DOPC;MDCG;27;1;"MARTINI bead: SP2_SNda";;;;;;;-0.24;;-5.62;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM441686;MM441686;C=CC=CC1OC1C=CC;WMCBIMJBEZRHAH-UHFFFAOYSA-N;136.19;2.07;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNa_C4";;;;;;;2.2;;0.34;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM441687;MM441687;N#CCC1CC=C(C=O)O1;SBBNPAQFHDNKOD-UHFFFAOYSA-N;137.14;0.77;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNa_SN0";;;;;;;1.17;;-1.18;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM441688;MM441688;COc1non(C=O)c1=O;IOUPSYNYPARIBX-UHFFFAOYSA-N;144.09;-1.12;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNa_SP2";;;;;;;-0.24;;-3.24;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM441689;MM441689;CCn1oc(NC)nc1=O;RDXBVYWLOSQDKZ-UHFFFAOYSA-N;143.15;-0.1;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP2_SNda";;;;;;;-0.24;;-3.31;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM441690;MM441690;C=CC=CC1CN1C=NC;UEIOAIIGDYXOEP-UHFFFAOYSA-N;136.2;1.07;;;;;DOPC;MDCG;27;1;"MARTINI bead: SP1_C4";;;;;;;1.37;;-1.93;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM441691;MM441691;C=CCC1ON=C(C#N)O1;WWLUJLMIMZWCRV-UHFFFAOYSA-N;138.13;0.77;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNa_SP1";;;;;;;0.04;;-2.54;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM441692;MM441692;C=Nn1onc(CC)c1=N;KZIVALVDEDXCQC-UHFFFAOYSA-N;140.15;-0.02;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNa_SP3";;;;;;;-1.1;;-4.2;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM441693;MM441693;CCn1oc(OC)nc1=N;QCRWEJOGLZJWHJ-UHFFFAOYSA-N;143.15;-0.02;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP2_SNa";;;;;;;-0.24;;-3.24;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM441694;MM441694;CN=CN1CC1C=CC=O;VSERSHIUFLHFAC-UHFFFAOYSA-N;138.17;0.08;;;;;DOPC;MDCG;27;1;"MARTINI bead: SP1_Na";;;;;;;0.04;;-4.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM441695;MM441695;C=CCN1CC=C(C=C)C1;ADBCGHRRVWQDGK-UHFFFAOYSA-N;135.21;1.6;;;;;DOPC;MDCG;27;1;"MARTINI bead: SNd_SP1";;;;;;;0.04;;-4.18;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM441696;MM441696;C=Nn1onc(CO)c1=N;HVQQMKCIGQWMBP-UHFFFAOYSA-N;142.12;-1.09;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP1_SP3";;;;;;;-1.93;;-4.72;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM441697;MM441697;CCn1oc(OC)nc1=O;OBLLIOXHFPWGED-UHFFFAOYSA-N;144.13;-0.14;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP2_SNa";;;;;;;-0.24;;-3.24;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM441698;MM441698;CN=CN1CC1C=CC#N;UBZWBPJYRNRJAL-UHFFFAOYSA-N;135.17;0.41;;;;;DOPC;MDCG;27;1;"MARTINI bead: SP1_N0";;;;;;;0.34;;-3.5;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM441699;MM441699;N#CCN1CC=C(C=O)C1;LFGMLSDILQRSBC-UHFFFAOYSA-N;136.15;-0.05;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP1_SNd";;;;;;;0.04;;-2.63;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM441700;MM441700;C=Nn1onc(CF)c1=N;WVYAHLAVEJEQAR-UHFFFAOYSA-N;144.11;-0.11;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNa_SP3";;;;;;;-1.1;;-4.2;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM441701;MM441701;NN=C1C=CC2(F)CC2O1;WPSDSZYHRJOIHZ-UHFFFAOYSA-N;142.13;0.33;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNda_SNa";;;;;;;0.87;;-1.99;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM441702;MM441702;Cn1nc(N)c(N)c1N;YMRBWWVXSSYSGH-UHFFFAOYSA-N;127.15;-0.83;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP1_SP2";;;;;;;-1.06;;-3.82;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM441703;MM441703;N#CCN1CC=C(C#N)C1;QCERLDNXOPOWRO-UHFFFAOYSA-N;133.15;0.28;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNd_SP1";;;;;;;0.04;;-2.63;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM441704;MM441704;C=Nn1onc(CC)c1=O;RLBRZSZEGYQNCN-UHFFFAOYSA-N;141.13;-0.14;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNa_SP2";;;;;;;-0.24;;-3.24;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM441705;MM441705;CNn1oc(CF)nc1=N;BAXGEZQCZMLQFW-UHFFFAOYSA-N;146.13;-0.4;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP3_SNa";;;;;;;-1.1;;-4.2;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM441706;MM441706;C=CC=CC1CN1N=CC;MZUPRWMBSPUVHE-UHFFFAOYSA-N;136.2;1.42;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP1_C4";;;;;;;1.37;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM441707;MM441707;N=CNN1CC=C(C=O)C1;ZKXRVEMMHZWTKY-UHFFFAOYSA-N;139.16;-0.46;;;;;DOPC;MDCG;27;1;"MARTINI bead: SP2_SP1";;;;;;;-1.06;;-6.65;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM441708;MM441708;C=Nn1onc(CO)c1=O;DUYXHAPJINBBCL-UHFFFAOYSA-N;143.1;-1.21;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP1_SP2";;;;;;;-1.06;;-3.82;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM441709;MM441709;CCc1nc(=O)n(NC)o1;NONVXQDWOHFVIO-UHFFFAOYSA-N;143.15;-0.43;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNa_SP2";;;;;;;-0.24;;-3.24;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM441710;MM441710;CC=NN1CC1C=CC#N;RWZXATNVVHEUOE-UHFFFAOYSA-N;135.17;0.76;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP1_N0";;;;;;;0.34;;-1.53;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM441711;MM441711;N#CC1=CCN(NC=N)C1;NIYHZFUGWIWBTF-UHFFFAOYSA-N;136.16;-0.14;;;;;DOPC;MDCG;27;1;"MARTINI bead: SP2_SP1";;;;;;;-1.06;;-6.65;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM441712;MM441712;C=C(C)C(C)(C)C(C)O;MWNJHTYVAYIQHN-UHFFFAOYSA-N;128.22;1.97;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_C1";;;;;;;2.08;;0.48;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM441713;MM441713;C=CCC1COC(=NN)C1;RULRDPOVOGQZIM-UHFFFAOYSA-N;140.19;0.87;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNda_SC5";;;;;;;1.64;;0.05;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM441714;MM441714;C=NN=CC1CN1N=CC;PXTFVJCEHRTGJR-UHFFFAOYSA-N;138.17;0.36;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP1_N0";;;;;;;0.34;;-1.53;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM441715;MM441715;C#CCC1CC=C(C=C)C1;ZRAWOXJICSFFQC-UHFFFAOYSA-N;132.21;2.53;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC3_SC4";;;;;;;3.9;;0.47;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM441716;MM441716;C=Nn1onc(OC)c1=N;ASVXXTUVRLOKKZ-UHFFFAOYSA-N;142.12;-0.57;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNa_SP3";;;;;;;-1.1;;-4.2;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM441717;MM441717;CNn1oc(CF)nc1=O;LGYRLWRKXXFVNL-UHFFFAOYSA-N;147.11;-0.52;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP2_SNa";;;;;;;-0.24;;-3.24;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM441718;MM441718;C#CC=CC1CC1C=NN;FVXMTSFCWOOWKE-UHFFFAOYSA-N;134.18;0.76;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNd_N0";;;;;;;1.17;;-1.04;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM441719;MM441719;C#CCC1CC=C(C=O)C1;FZYJUDPNBKJYKS-UHFFFAOYSA-N;134.18;1.55;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNa_SC4";;;;;;;2.2;;0.34;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM441720;MM441720;CNc1nc(=N)n(NC)o1;NLSOQIJKEGINOL-UHFFFAOYSA-N;143.15;-0.83;;;;;DOPC;MDCG;27;1;"MARTINI bead: SNda_SP3";;;;;;;-1.1;;-5.17;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM441721;MM441721;C=Nn1onc(OC)c1=O;RZNFJKSYKJLJEK-UHFFFAOYSA-N;143.1;-0.69;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNa_SP2";;;;;;;-0.24;;-3.24;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM441722;MM441722;C#CC=CC1NC1C=CC;ZQGSKTBTGHEEPA-UHFFFAOYSA-N;133.19;1.09;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNd_N0";;;;;;;1.17;;-1.04;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM441723;MM441723;C#CCC1CC=C(C#N)C1;KYTHCFXYIASOKP-UHFFFAOYSA-N;131.18;1.87;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC4_SN0";;;;;;;2.5;;0.44;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM441724;MM441724;C=CCC1CCC(=NN)O1;QIEYPGLCWFYIHY-UHFFFAOYSA-N;140.19;1.01;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNda_SC5";;;;;;;1.64;;0.05;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM441725;MM441725;C=CC1=CCC(C=C)C1=C;NCDUSKHXJCWLQC-UHFFFAOYSA-N;132.21;2.86;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC3_SC3";;;;;;;4.27;;0.2;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM441726;MM441726;C#CC=CC1NC1C=CF;GDIGDGNJCXGZBE-UHFFFAOYSA-N;137.16;1;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_SP1";;;;;;;0.81;;-0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM441727;MM441727;C#CCC1CC(C#N)=CN1;BMOFUXRSWBKGFK-UHFFFAOYSA-N;132.17;0.78;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNd_SP1";;;;;;;0.04;;-2.63;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM441728;MM441728;CNn1oc(OC)nc1=N;DSTWNNUUYHULDW-UHFFFAOYSA-N;144.13;-0.86;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP3_SNa";;;;;;;-1.1;;-4.2;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM441729;MM441729;C=CC1CC=C(C=O)C1=C;FYVXHNQMAAWPEM-UHFFFAOYSA-N;134.18;1.87;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC3_SC5";;;;;;;3.34;;0.48;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM441730;MM441730;C#CC=CC1CN1C=NC;CLQBSJFMLIJCEV-UHFFFAOYSA-N;134.18;0.52;;;;;DOPC;MDCG;27;1;"MARTINI bead: SP1_N0";;;;;;;0.34;;-3.51;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM441731;MM441731;C#CCC1CC(C=C)=NN1;WNBROKIBYBZDMS-UHFFFAOYSA-N;134.18;0.91;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP1_SNd";;;;;;;0.04;;-2.63;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM441732;MM441732;CNn1oc(OC)nc1=O;MNQHHLOPRNPJNB-UHFFFAOYSA-N;145.12;-0.98;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP2_SNa";;;;;;;-0.24;;-3.24;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM441733;MM441733;C=CC1CC=C(C#N)C1=C;OFCVWGBXNMZELW-UHFFFAOYSA-N;131.18;2.2;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC3_SC5";;;;;;;3.34;;0.48;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM441734;MM441734;C#CC=CC1CN1N=CC;YOWNQVOUWYYVTM-UHFFFAOYSA-N;134.18;0.87;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP1_N0";;;;;;;0.34;;-1.53;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM441735;MM441735;C=C(OCC)C(=NN)OC;VDAJWFNZRWSJHH-UHFFFAOYSA-N;144.17;0.46;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_P1";;;;;;;0.81;;-0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM441736;MM441736;CCc1nc(=N)n(OC)o1;XNMZSPZAVNMPME-UHFFFAOYSA-N;143.15;-0.42;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNa_SP2";;;;;;;-0.24;;-3.24;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM441737;MM441737;C=CC1=CCC(C=O)C1=C;JJCBTARSFDQPNW-UHFFFAOYSA-N;134.18;1.87;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC3_SNa";;;;;;;2.57;;0.45;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM441738;MM441738;CC#CC1CC1C=CCC;KOSRHRDLVNIHJC-UHFFFAOYSA-N;134.22;2.61;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1_SC4";;;;;;;4.24;;0.42;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM441739;MM441739;C=COC(=C)C(=NN)OC;XNCXTVGVDNVUTI-UHFFFAOYSA-N;142.16;0.58;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_C5";;;;;;;0.81;;-0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM441740;MM441740;C#CCC1CCC(=NN)O1;NUZRVXAJZVIRLI-UHFFFAOYSA-N;138.17;0.46;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNda_SC5";;;;;;;1.64;;0.05;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM441741;MM441741;C=CC1=CCC(C#N)C1=C;OQNUVGRJISIIDH-UHFFFAOYSA-N;131.18;2.2;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC3_SN0";;;;;;;2.87;;0.37;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM441742;MM441742;CC#CC1CC1C=CCO;SJCHAESWKMVUIF-UHFFFAOYSA-N;136.19;1.19;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC4_Nda";;;;;;;2.2;;0.49;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM441743;MM441743;C#CCC1CC(C=C)=CO1;NDHWMDATKQAJEY-UHFFFAOYSA-N;134.18;1.87;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC5_SC5";;;;;;;2.41;;0.64;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM441744;MM441744;COn1oc(CF)nc1=N;FQJZENPWYLGSLO-UHFFFAOYSA-N;147.11;-0.52;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP2_SNa";;;;;;;-0.24;;-3.24;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM441745;MM441745;C=C1C(C#N)=CCC1C=O;AZYFILRFMGVGNG-UHFFFAOYSA-N;133.15;1.21;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNa_SC5";;;;;;;1.64;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM441746;MM441746;CC#CC1CC1C=CCF;BLAXYDGRFIODMG-UHFFFAOYSA-N;138.19;2.17;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC4_Na";;;;;;;2.2;;0.34;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM441747;MM441747;C#CCC1CC(C=O)=CO1;VZMSWPBDKDLNEO-UHFFFAOYSA-N;136.15;0.88;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNa_SC5";;;;;;;1.64;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM441748;MM441748;CCc1nc(=O)n(OC)o1;QWPBBRQODYGFEY-UHFFFAOYSA-N;144.13;-0.54;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNa_SP2";;;;;;;-0.24;;-3.24;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM441749;MM441749;C=C1C(C=O)=CCC1C#N;SCBMLMYJBQDILL-UHFFFAOYSA-N;133.15;1.21;;;;;DOPC;MDCG;27;0;"MARTINI bead: SN0_SC5";;;;;;;1.94;;0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM441750;MM441750;CC#CC1CC1C=NOC;JGFIUPSEFQVQCC-UHFFFAOYSA-N;137.18;1.28;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_SC4";;;;;;;2.2;;0.34;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM441751;MM441751;C#CCC1CC(C=C)=NO1;IFJSYUUMLLJAKR-UHFFFAOYSA-N;135.17;1.34;;;;;DOPC;MDCG;27;0;"MARTINI bead: SN0_SNa";;;;;;;1.17;;-1.18;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM441752;MM441752;COn1oc(CO)nc1=O;JKYWWGCHJONYKS-UHFFFAOYSA-N;146.1;-1.61;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP2_SP1";;;;;;;-1.06;;-3.82;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM441753;MM441753;C=C1C(C#N)=CCC1C#N;UUUNMCHIIQVQTF-UHFFFAOYSA-N;130.15;1.54;;;;;DOPC;MDCG;27;0;"MARTINI bead: SN0_SC5";;;;;;;1.94;;0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM441754;MM441754;CC#CC1NC1C=CCF;JEWYVBRWBHOHOB-UHFFFAOYSA-N;139.17;0.88;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP1_Na";;;;;;;0.04;;-2.54;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM441755;MM441755;C#CCC1CC(C=O)=NO1;PRPQHXNYCZVWMZ-UHFFFAOYSA-N;137.14;0.35;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP1_SNa";;;;;;;0.04;;-2.54;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM441756;MM441756;COn1oc(CF)nc1=O;GIQVRYZLOBMSRN-UHFFFAOYSA-N;148.09;-0.64;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP2_SNa";;;;;;;-0.24;;-3.24;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM441757;MM441757;C=CC=CC1CC1C#CC;GJNLQERBAFOFOE-UHFFFAOYSA-N;132.21;2.39;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC4_C4";;;;;;;3.53;;0.53;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM441758;MM441758;C=CC1NC=C(C=O)C1=C;QSWJMHNQAMXBPT-UHFFFAOYSA-N;135.17;0.78;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNd_SP1";;;;;;;0.04;;-2.63;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM441759;MM441759;C#CCC1CNC(C=C)=N1;ZYPANZGKNYGZJG-UHFFFAOYSA-N;134.18;0.57;;;;;DOPC;MDCG;27;1;"MARTINI bead: SNd_SP1";;;;;;;0.04;;-5.15;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM441760;MM441760;CNc1nc(=N)n(OC)o1;ZPGNFSKCZPHYLQ-UHFFFAOYSA-N;144.13;-0.94;;;;;DOPC;MDCG;27;1;"MARTINI bead: SNda_SP2";;;;;;;-0.24;;-4.4;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM441761;MM441761;CC#CC1CC1C=CC#N;PFBJHCPTWUCTBS-UHFFFAOYSA-N;131.18;1.73;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC4_N0";;;;;;;2.5;;0.44;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM441762;MM441762;C=CC1NC=C(C#N)C1=C;SLADYNVKAVDNGI-UHFFFAOYSA-N;132.17;1.11;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNd_SP1";;;;;;;0.04;;-2.63;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM441763;MM441763;CC#CC(F)C(=NN)OC;MLLBWNLXLJNHBK-UHFFFAOYSA-N;144.15;0.27;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_C5";;;;;;;0.81;;-0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM441764;MM441764;CNc1nc(=O)n(OC)o1;OBVOXWJUBDVBNT-UHFFFAOYSA-N;145.12;-1.06;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNda_SP2";;;;;;;-0.24;;-3.31;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM441765;MM441765;C=NN=CC1CC1C#CC;ZAWKQIWXOQEQQO-UHFFFAOYSA-N;134.18;1.33;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC4_C5";;;;;;;2.97;;0.45;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM441766;MM441766;C=C1C(C#N)=CNC1C=O;UGFKBAFXNPWOTK-UHFFFAOYSA-N;134.14;0.12;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP2_SP1";;;;;;;-1.06;;-3.82;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM441767;MM441767;C#CCC1CC=C(C=C)O1;DWRGGTVDRNVVAP-UHFFFAOYSA-N;134.18;1.87;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNa_SC5";;;;;;;1.64;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM441768;MM441768;COc1nc(=N)n(OC)o1;FWZFVNASTDBMRF-UHFFFAOYSA-N;145.12;-0.98;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNa_SP2";;;;;;;-0.24;;-3.24;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM441769;MM441769;C=CC=CC1NC1C#CC;DTZVYLJZCSLZQR-UHFFFAOYSA-N;133.19;1.09;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP1_C4";;;;;;;1.37;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM441770;MM441770;C=C(C)CC(O)C(C)C;LCBOFRBFVBROGF-UHFFFAOYSA-N;128.22;1.97;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda_C4";;;;;;;2.2;;0.49;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM441771;MM441771;C#CCC1CC=C(C=O)O1;GLIDZANUBORERQ-UHFFFAOYSA-N;136.15;0.88;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNa_SC5";;;;;;;1.64;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM441772;MM441772;COc1nc(=O)n(OC)o1;BPUSAVJBLNOFOI-UHFFFAOYSA-N;146.1;-1.1;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNa_SP2";;;;;;;-0.24;;-3.24;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM441773;MM441773;CC#CC1NC1C=CC=O;BCBDOMUEKDYQQS-UHFFFAOYSA-N;135.17;0.11;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP1_Na";;;;;;;0.04;;-2.54;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM441774;MM441774;CCCCC(C)(O)CC;PQOSNJHBSNZITJ-UHFFFAOYSA-N;130.23;2.34;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1_Nda";;;;;;;2.91;;0.57;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM441775;MM441775;C#CCC1OC=C(C=C)O1;SHZPGQCVKQYIKI-UHFFFAOYSA-N;136.15;1.41;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNa_SNa";;;;;;;0.87;;-2.22;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM441776;MM441776;CCn1oc(C=O)nc1=N;DSMDTTGHZDUNQR-UHFFFAOYSA-N;141.13;-0.21;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP2_SP1";;;;;;;-1.06;;-3.82;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM441777;MM441777;C#CC=CC1NC1C#CC;XXVUNGCEZWWHTF-UHFFFAOYSA-N;131.18;0.54;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP1_N0";;;;;;;0.34;;-1.53;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM441778;MM441778;C=C1C(C#N)=NNC1C=O;KCZUYTOVKSVBAM-UHFFFAOYSA-N;135.13;-0.41;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP1_SP1";;;;;;;-0.79;;-3.13;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM441779;MM441779;C#CCC1OC=C(C=O)O1;RIUPKWBYZILPRF-UHFFFAOYSA-N;138.12;0.42;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP1_SNa";;;;;;;0.04;;-2.54;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM441780;MM441780;CCn1oc(C#N)nc1=N;SXYPUDHDHPYBHT-UHFFFAOYSA-N;138.13;-0.15;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP2_SP1";;;;;;;-1.06;;-3.82;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM441781;MM441781;CCC#CC1CC1CCC;AMDYHOXIRQEFPG-UHFFFAOYSA-N;136.24;2.84;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC2_C3";;;;;;;4.53;;0.32;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM441782;MM441782;O=c1o[nH]nc1CF;IJUOPVUEPLLCKM-UHFFFAOYSA-N;118.07;-0.17;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP2_SP2";;;;;;;-1.34;;-9.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM441783;MM441783;C#CCC1ON=C(C=O)O1;WOEGHDHPNRJJKW-UHFFFAOYSA-N;139.11;-0.11;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP2_SNa";;;;;;;-0.24;;-3.24;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM441784;MM441784;C=Cc1nc(=O)n(CC)o1;MQYNTBPNWAHZAL-UHFFFAOYSA-N;140.14;0.5;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP2_SNa";;;;;;;-0.24;;-3.24;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM441785;MM441785;CCCC1CC1C#CCN;BIRNSYSXLLMRTO-UHFFFAOYSA-N;137.23;1.38;;;;;DOPC;MDCG;27;1;"MARTINI bead: SC2_Nd";;;;;;;2.83;;0.32;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM441786;MM441786;N#CCC1=NC(=CO)N=N1;CWVBLNJFCCKNDP-UHFFFAOYSA-N;136.11;1.12;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNda_SN0";;;;;;;1.17;;-6.84;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM441787;MM441787;C#CCN1CC=C(C=C)C1;NTNNMCXELYCEFW-UHFFFAOYSA-N;133.19;1.05;;;;;DOPC;MDCG;27;1;"MARTINI bead: SP1_SNd";;;;;;;0.04;;-3.66;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM441788;MM441788;CCn1oc(C=O)nc1=O;OXCRDNYOHHJUJF-UHFFFAOYSA-N;142.11;-0.33;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP2_SP1";;;;;;;-1.06;;-3.82;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM441789;MM441789;CCCC1CC1C#CCO;WNNKPXJCBFDGEY-UHFFFAOYSA-N;138.21;1.42;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC2_P2";;;;;;;1.72;;0.27;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM441790;MM441790;O=c1o[nH]nc1C1CO1;VFLJANGDSKJUIJ-UHFFFAOYSA-N;128.09;-0.57;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP2_SP2";;;;;;;-1.34;;-9.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM441791;MM441791;C#CC1=CCC(CCC)C1;SSNLORHVSBXYGN-UHFFFAOYSA-N;134.22;2.76;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC1_SC5";;;;;;;3.68;;0.46;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM441792;MM441792;CCn1oc(C#N)nc1=O;UGNTUFHBBYNFOV-UHFFFAOYSA-N;139.11;-0.27;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP2_SP1";;;;;;;-1.06;;-3.82;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM441793;MM441793;CCCC1CC1C#CCF;IDWQLALWAMMFLA-UHFFFAOYSA-N;140.2;2.4;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC2_Na";;;;;;;2.83;;0.35;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM441794;MM441794;NC(=O)C#CC(=O)C(=O)O;MEKGLMROKCUVPK-UHFFFAOYSA-N;141.08;-1.87;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_P1";;;;;;;-1.06;;-8.99;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM441795;MM441795;C#CC1=CCC(CCN)C1;ZUXPXBPMIPDJSX-UHFFFAOYSA-N;135.21;1.3;;;;;DOPC;MDCG;27;1;"MARTINI bead: SC5_SC5";;;;;;;2.41;;-0.48;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM441796;MM441796;CNn1oc(C=O)nc1=N;NYVKRCVVMSWKMH-UHFFFAOYSA-N;142.12;-1.06;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP3_SP1";;;;;;;-1.93;;-4.72;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM441797;MM441797;CCC#CC1CC1CCN;KHQVDBCVLOMBAY-UHFFFAOYSA-N;137.23;1.38;;;;;DOPC;MDCG;27;1;"MARTINI bead: C3_SNd";;;;;;;2.57;;-1.51;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM441798;MM441798;C=CC1OC=C(C=O)C1=C;WUYPTZMPOAHSEP-UHFFFAOYSA-N;136.15;1.21;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC5_SNa";;;;;;;1.64;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM441799;MM441799;CCN(C=O)C(C)=NNC;UJGQJGXDCXIZHV-UHFFFAOYSA-N;143.19;0.02;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_P2";;;;;;;0.54;;-1.09;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM441800;MM441800;CNn1oc(C#N)nc1=N;OFOOZAKZIPAJPG-UHFFFAOYSA-N;139.12;-1;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP3_SP1";;;;;;;-1.93;;-4.72;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM441801;MM441801;NCC#CC1CC1CCN;IACPUXNMCDXAMG-UHFFFAOYSA-N;138.21;-0.07;;;;;DOPC;MDCG;27;1;"MARTINI bead: SNd_Nd";;;;;;;0.87;;-4.93;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM441802;MM441802;C=CC1OC=C(C#N)C1=C;NWSXDDYEEKMSBK-UHFFFAOYSA-N;133.15;1.53;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC5_SN0";;;;;;;1.94;;0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM441803;MM441803;C#CC1=NNC(CCN)C1;MUOGXGJADUBKHZ-UHFFFAOYSA-N;137.19;-0.31;;;;;DOPC;MDCG;27;1;"MARTINI bead: SP1_SP1";;;;;;;-0.79;;-5.59;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM441804;MM441804;C=Cc1nc(=O)n(NC)o1;LDHVPDLMIFJDQO-UHFFFAOYSA-N;141.13;-0.35;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP2_SNa";;;;;;;-0.24;;-3.24;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM441805;MM441805;NN=C1C=CC(=CF)C1;GCCAZVHOZSIACN-UHFFFAOYSA-N;126.13;1.11;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNd_SC4";;;;;;;2.2;;0.32;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM441806;MM441806;C=CC1=COC(C#N)C1=C;HZCMFBCNJLQZFI-UHFFFAOYSA-N;133.15;1.53;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC5_SNa";;;;;;;1.64;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM441807;MM441807;C#CC1=COC(CCC)C1;BTNNWKAVCWTOIT-UHFFFAOYSA-N;136.19;2.09;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC4_SN0";;;;;;;2.5;;0.44;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM441808;MM441808;CNn1oc(C=O)nc1=O;SOKAUUIZJMDCMC-UHFFFAOYSA-N;143.1;-1.18;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP2_SP1";;;;;;;-1.06;;-3.82;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM441809;MM441809;NCC#CC1CC1CCO;KCNDDGBWEFXBFX-UHFFFAOYSA-N;139.2;-0.03;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_SNda";;;;;;;0.87;;-3.42;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM441810;MM441810;Oc1nonc1O;FQLZSIYARDDXSY-UHFFFAOYSA-N;102.05;-0.52;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP1_SP1";;;;;;;-0.79;;-8.75;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM441811;MM441811;C#CC1=COC(CCN)C1;CAYKTBQBCFZIEQ-UHFFFAOYSA-N;137.18;0.64;;;;;DOPC;MDCG;27;1;"MARTINI bead: SNda_SN0";;;;;;;1.17;;-3.85;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM441812;MM441812;CNn1oc(C#N)nc1=O;FHQVAEATDKASGI-UHFFFAOYSA-N;140.1;-1.12;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP2_SP1";;;;;;;-1.06;;-3.82;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM441813;MM441813;CCC#CC1CC1CNC;ZILZMWHVBWADJF-UHFFFAOYSA-N;137.23;1.26;;;;;DOPC;MDCG;27;1;"MARTINI bead: C3_SNd";;;;;;;2.57;;-1.82;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM441814;MM441814;N#CC=C(N)C(O)C(=O)O;QTBISMHTEUUGQH-UHFFFAOYSA-N;142.11;-1.2;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_P2";;;;;;;-1.06;;-8.99;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM441815;MM441815;C#CC1=NCC(CCN)N1;HYDLLZAZQPKPBV-UHFFFAOYSA-N;137.19;-0.66;;;;;DOPC;MDCG;27;1;"MARTINI bead: SP2_SNd";;;;;;;-0.24;;-5.05;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM441816;MM441816;COn1oc(C=O)nc1=N;PCQBMWQRNBNNDO-UHFFFAOYSA-N;143.1;-1.17;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP2_SP1";;;;;;;-1.06;;-3.82;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM441817;MM441817;CCC#CC1CC1COC;JCILFYPVESVMLX-UHFFFAOYSA-N;138.21;1.68;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC4_P1";;;;;;;1.37;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM441818;MM441818;C#CC(O)(CC#N)C(=O)O;OXHDEAFGDPMWHM-UHFFFAOYSA-N;139.11;-0.65;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_P1";;;;;;;-0.79;;-8.75;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM441819;MM441819;C#CC1=CCN(CCN)C1;MQFXAMHERRMXNY-UHFFFAOYSA-N;136.2;-0.18;;;;;DOPC;MDCG;27;1;"MARTINI bead: SP1_SP1";;;;;;;-0.79;;-5.12;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM441820;MM441820;COn1oc(C#N)nc1=N;HDTKTHVUNLQJML-UHFFFAOYSA-N;140.1;-1.11;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP2_SP1";;;;;;;-1.06;;-3.82;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM441821;MM441821;CCC#CC1CC1OCC;YGHNWTBZYZBTOK-UHFFFAOYSA-N;138.21;1.82;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNa_C3";;;;;;;2.57;;0.45;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM441822;MM441822;C=CC1ON=C(C=O)C1=C;JBAPHLWPXQEJOK-UHFFFAOYSA-N;137.14;0.68;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNa_SNa";;;;;;;0.87;;-2.22;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM441823;MM441823;C#CC1=CCC(CC=C)C1;QEBNPOVDPWCEOI-UHFFFAOYSA-N;132.21;2.53;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC1_SC5";;;;;;;3.68;;0.46;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM441824;MM441824;C=Cc1nc(=O)n(OC)o1;MDJCOSDDBMVFAT-UHFFFAOYSA-N;142.11;-0.46;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP2_SNa";;;;;;;-0.24;;-3.24;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM441825;MM441825;CCOC1CC1C#CCN;PHNCITWXHGMNHX-UHFFFAOYSA-N;139.2;0.37;;;;;DOPC;MDCG;27;1;"MARTINI bead: SNa_Nd";;;;;;;0.87;;-3.37;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM441826;MM441826;C=CC1ON=C(C#N)C1=C;ZFFMURZMFMLCEL-UHFFFAOYSA-N;134.14;1.01;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNa_SP1";;;;;;;0.04;;-2.54;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM441827;MM441827;C#CC1=CCC(CC#N)C1;UMJQYMFHEOGETC-UHFFFAOYSA-N;131.18;1.87;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC5_SC5";;;;;;;2.41;;0.64;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM441828;MM441828;COn1oc(C=O)nc1=O;LSEIZXVOOQLLDG-UHFFFAOYSA-N;144.09;-1.29;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP2_SP1";;;;;;;-1.06;;-3.82;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM441829;MM441829;CCC#CC1NC1CCC;VJHYGYWIRTXSEY-UHFFFAOYSA-N;137.23;1.54;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNd_C3";;;;;;;2.57;;0.56;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM441830;MM441830;N#CC(F)C(F)(F)C=NO;LPXFVCASGIGMHQ-UHFFFAOYSA-N;152.08;0.94;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda_Na";;;;;;;0.87;;-7.81;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM441831;MM441831;C#CC1=CCC(OC=C)C1;BZIXGOPLLZMJTD-UHFFFAOYSA-N;134.18;1.87;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC5_SC5";;;;;;;2.41;;0.64;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM441832;MM441832;COn1oc(C#N)nc1=O;AVPBWVMPMREMQI-UHFFFAOYSA-N;141.09;-1.23;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP2_SP1";;;;;;;-1.06;;-3.82;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM441833;MM441833;CCCC1NC1C#CCN;MZRAWMHJYROPHQ-UHFFFAOYSA-N;138.21;0.09;;;;;DOPC;MDCG;27;1;"MARTINI bead: SNd_P2";;;;;;;-0.24;;-4.59;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM441834;MM441834;C#CC1C=CC(=O)O1;CZZANYCDICRFFV-UHFFFAOYSA-N;108.1;0.1;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNa_SN0";;;;;;;1.17;;-6.87;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM441835;MM441835;CNN=C(C)C(C#N)=CN;ZCURRDSRFWBKAV-UHFFFAOYSA-N;138.17;-0.05;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nd_P2";;;;;;;-0.24;;-3.16;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM441836;MM441836;C#Cc1nc(=O)n(CC)o1;WBLOTDDRYXXQFD-UHFFFAOYSA-N;138.13;-0.16;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP2_SP1";;;;;;;-1.06;;-3.82;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM441837;MM441837;CCCC1NC1C#CCF;CWIQOOKOBQTEKG-UHFFFAOYSA-N;141.19;1.1;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNd_Na";;;;;;;0.87;;-1.88;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM441838;MM441838;OC=C1N=NC(O)=N1;SAZKAAQJZJXBJD-UHFFFAOYSA-N;113.08;0.72;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNda_SP1";;;;;;;0.04;;-8.23;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM441839;MM441839;C#CC1=NOC(CC#N)C1;WQGWNKKCVQTSQF-UHFFFAOYSA-N;134.14;0.68;;;;;DOPC;MDCG;27;0;"MARTINI bead: SN0_SNa";;;;;;;1.17;;-1.18;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM441840;MM441840;C#Cc1nc(=N)n(NC)o1;XQOWFPDLWJCRIK-UHFFFAOYSA-N;138.13;-0.89;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP3_SP1";;;;;;;-1.93;;-4.72;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM441841;MM441841;CCC#CC1NC1CCN;NRORSCBZTDAAHZ-UHFFFAOYSA-N;138.21;0.09;;;;;DOPC;MDCG;27;1;"MARTINI bead: C3_SP2";;;;;;;1.46;;-2.47;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM441842;MM441842;N#Cc1n[nH]n(C=N)c1=O;RXVIHCYZUATCLC-UHFFFAOYSA-N;137.1;-1.1;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP3_SP1";;;;;;;-1.93;;-9.08;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM441843;MM441843;C#CC1=CCC(CC=C)O1;WZDJOACHKVLHRT-UHFFFAOYSA-N;134.18;1.87;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC4_SNa";;;;;;;2.2;;0.34;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM441844;MM441844;C#Cc1nc(=O)n(NC)o1;OLXYDPVUQMQDEH-UHFFFAOYSA-N;139.11;-1.01;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP2_SP1";;;;;;;-1.06;;-3.82;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM441845;MM441845;NCCC1NC1C#CCO;OULSKNSGRUSPTC-UHFFFAOYSA-N;140.19;-1.33;;;;;DOPC;MDCG;27;1;"MARTINI bead: SP2_P2";;;;;;;-1.34;;-6.75;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM441846;MM441846;O=c1oc(O)nn(O)c1=O;SYPRWXWBCKINFB-UHFFFAOYSA-N;146.06;-1.86;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP3_SP3";;;;;;;-3.07;;-10.28;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM441847;MM441847;C#CC1=CCC(CC#N)O1;HFDZZDFUYXCRMF-UHFFFAOYSA-N;133.15;1.21;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNa_SN0";;;;;;;1.17;;-1.18;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM441848;MM441848;C#Cc1nc(=N)n(OC)o1;WMHZZYIJOCJGLH-UHFFFAOYSA-N;139.11;-1;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP2_SP1";;;;;;;-1.06;;-3.82;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM441849;MM441849;NCCC1NC1C#CCF;XGNRYROSPZWILQ-UHFFFAOYSA-N;142.18;-0.35;;;;;DOPC;MDCG;27;1;"MARTINI bead: SP2_Na";;;;;;;-0.24;;-5.68;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM441850;MM441850;O=c1oc(O)nn1O;DKAUBKJUSYOSOK-UHFFFAOYSA-N;118.05;-1.22;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP1_SP2";;;;;;;-1.06;;-9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM441851;MM441851;C#CC1=NOC(CC#N)O1;YMBXDRMLYFQMQR-UHFFFAOYSA-N;136.11;0.22;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP1_SP1";;;;;;;-0.79;;-3.13;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM441852;MM441852;C#CC=NNC=NCC;ONHWCXXOELFFDT-UHFFFAOYSA-N;123.16;0.24;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_P1";;;;;;;0.81;;-0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM441853;MM441853;C#Cc1nc(=O)n(OC)o1;ZCUKRZLKGHWTKQ-UHFFFAOYSA-N;140.1;-1.12;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP2_SP1";;;;;;;-1.06;;-3.82;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM441854;MM441854;C=C1C(C=O)=CCN1C=N;QPQPDTPFRMQTKB-UHFFFAOYSA-N;136.15;0.55;;;;;DOPC;MDCG;27;1;"MARTINI bead: SNd_SP1";;;;;;;0.04;;-4.59;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM441855;MM441855;C#CC1=CCN(CC#N)C1;CKGCKNWHWYVJOK-UHFFFAOYSA-N;132.17;0.39;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP1_SNd";;;;;;;0.04;;-2.63;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM441856;MM441856;CNCC1NC1C#CCN;DPRCZQMOYSZBBA-UHFFFAOYSA-N;139.2;-1.49;;;;;DOPC;MDCG;27;1;"MARTINI bead: SP2_P2";;;;;;;-1.34;;-6.44;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM441857;MM441857;C=C1C=C(CC)CN1C=N;KIYPXGMEEVULJR-UHFFFAOYSA-N;136.2;1.76;;;;;DOPC;MDCG;27;1;"MARTINI bead: SN0_SNd";;;;;;;1.17;;-3.63;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM441858;MM441858;C=C1C(C#N)=CCN1C=N;QBGICIZHZXVEGB-UHFFFAOYSA-N;133.15;0.87;;;;;DOPC;MDCG;27;1;"MARTINI bead: SNd_SP1";;;;;;;0.04;;-4.36;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM441859;MM441859;C#CC1=CCN(NC=N)C1;WFKQOKCLFILILO-UHFFFAOYSA-N;135.17;-0.03;;;;;DOPC;MDCG;27;1;"MARTINI bead: SP2_SP1";;;;;;;-1.06;;-6.65;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM441860;MM441860;CNCC1NC1C#CCO;WSVNRGXYJDZMGO-UHFFFAOYSA-N;140.19;-1.46;;;;;DOPC;MDCG;27;1;"MARTINI bead: SP2_P2";;;;;;;-1.34;;-6.34;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM441861;MM441861;C=C1C=C(CN)CN1C=N;KZKZCQXUGDUPHI-UHFFFAOYSA-N;137.19;0.31;;;;;DOPC;MDCG;27;1;"MARTINI bead: SP2_SNd";;;;;;;-0.24;;-5.71;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM441862;MM441862;C=CC1=CCN(C=C)C1=N;DKSZTMWTAHUFFQ-UHFFFAOYSA-N;134.18;1.54;;;;;DOPC;MDCG;27;1;"MARTINI bead: SP1_SP1";;;;;;;-0.79;;-6.3;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM441863;MM441863;Cn1ncc(=NN)oc1=N;KHUGXSRYFFPABZ-UHFFFAOYSA-N;141.13;-1.73;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP2_SP3";;;;;;;-2.2;;-5.19;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM441864;MM441864;CNCC1NC1C#CCF;IRVUTOOGNPSHTH-UHFFFAOYSA-N;142.18;-0.48;;;;;DOPC;MDCG;27;1;"MARTINI bead: SP2_Na";;;;;;;-0.24;;-5.26;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM441865;MM441865;CCc1nc(=N)n(C=N)o1;BVDNNQZISJBAEC-UHFFFAOYSA-N;140.15;-0.03;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNa_SP3";;;;;;;-1.1;;-4.2;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM441866;MM441866;CONC(=O)C(F)(F)C#N;XMZDCLUPNLELCD-UHFFFAOYSA-N;150.08;-0.18;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_C5";;;;;;;0.54;;-6.2;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM441867;MM441867;CC=CC1CC=C(CC)C1;JUKSMIMZWDYPFZ-UHFFFAOYSA-N;136.24;3.31;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC2_SC1";;;;;;;4.87;;0.53;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM441868;MM441868;CCC#CC1OC1CCC;UVJGURPOMSXMMJ-UHFFFAOYSA-N;138.21;1.97;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNa_C3";;;;;;;2.57;;0.45;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM441869;MM441869;CC#CC1COC(=NN)C1;RNJZZUFGRGMHDG-UHFFFAOYSA-N;138.17;0.32;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC5_SNda";;;;;;;1.64;;0.05;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM441870;MM441870;CC(C(=O)O)=C(C#N)CO;VBAKJUGVJWFTSO-UHFFFAOYSA-N;141.13;-0.1;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda_P2";;;;;;;-0.24;;-8.42;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM441871;MM441871;N=c1oc(=NN)cnn1N;BPIORUGRWSWQMH-UHFFFAOYSA-N;142.12;-2.56;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP3_SP2";;;;;;;-2.2;;-5.19;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM441872;MM441872;CCCC1OC1C#CCN;PVFSILUOECREBM-UHFFFAOYSA-N;139.2;0.52;;;;;DOPC;MDCG;27;1;"MARTINI bead: SNa_Nd";;;;;;;0.87;;-3.28;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM441873;MM441873;N=Cn1oc(CF)nc1=N;IZTJAIPNQAAPEJ-UHFFFAOYSA-N;144.11;-0.12;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNa_SP3";;;;;;;-1.1;;-4.2;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM441874;MM441874;NN=c1[nH]nno1;XCSXBJNKKGXEHS-UHFFFAOYSA-N;101.07;-1.83;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP2_SP2";;;;;;;-1.34;;-9.53;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM441875;MM441875;CC=CC1CC=C(CF)C1;MZAHAIMALJYLBE-UHFFFAOYSA-N;140.2;2.87;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC1_SC5";;;;;;;3.68;;0.46;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM441876;MM441876;CCCC1OC1C#CCO;QJLMNKUTXLUDCM-UHFFFAOYSA-N;140.18;0.55;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNa_P2";;;;;;;-0.24;;-3.24;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM441877;MM441877;CCc1nc(=N)n(C=O)o1;UWTZIZAEOVKVSS-UHFFFAOYSA-N;141.13;-0.44;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNa_SP3";;;;;;;-1.1;;-4.2;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM441878;MM441878;N=c1nconc1O;RBOCZHVXXZKWEB-UHFFFAOYSA-N;113.08;-0.75;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP3_SP3";;;;;;;-3.07;;-10.28;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM441879;MM441879;CC=CC1CC=C(OC)C1;NOLJVNSHZOPSAP-UHFFFAOYSA-N;138.21;2.5;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC5_SC1";;;;;;;3.68;;0.46;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM441880;MM441880;CCCC1OC1C#CCF;OPRMLQDMQFCRMI-UHFFFAOYSA-N;142.17;1.53;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNa_Na";;;;;;;0.87;;-2.22;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM441881;MM441881;N=c1nc(CO)on1C=O;QUORAJPGOLZJFE-UHFFFAOYSA-N;143.1;-1.51;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP1_SP3";;;;;;;-1.93;;-4.72;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM441882;MM441882;N=c1nn[nH]n(O)c1=O;GTSSERRQDBMIHR-UHFFFAOYSA-N;129.08;-2.32;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP2_SP3";;;;;;;-2.2;;-9.63;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM441883;MM441883;CC=CC1CC(CC)=NN1;KEEDILWBMMXCGX-UHFFFAOYSA-N;138.21;1.69;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP1_SNd";;;;;;;0.04;;-2.63;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM441884;MM441884;CCC#CC1OC1CCN;HXXIQRMSLCDSRH-UHFFFAOYSA-N;139.2;0.52;;;;;DOPC;MDCG;27;1;"MARTINI bead: C3_SP1";;;;;;;1.74;;-2.03;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM441885;MM441885;N=c1nc(CF)on1C=O;RCLQHOXBWCAFAD-UHFFFAOYSA-N;145.09;-0.54;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNa_SP3";;;;;;;-1.1;;-4.2;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM441886;MM441886;NN=c1nc(F)c(O)no1;KRFFIHHHIHTMSE-UHFFFAOYSA-N;146.08;-1.31;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP2_SP2";;;;;;;-1.34;;-9.54;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM441887;MM441887;Cn1ncc(=NN)oc1=O;LUUYRSSJJCABCS-UHFFFAOYSA-N;142.12;-1.85;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP2_SP3";;;;;;;-2.2;;-5.19;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM441888;MM441888;NCC#CC1OC1CCN;OTIYNTPECJSVQP-UHFFFAOYSA-N;140.19;-0.94;;;;;DOPC;MDCG;27;1;"MARTINI bead: SP1_Nd";;;;;;;0.04;;-5.36;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM441889;MM441889;C=Cn1oc(CC)nc1=O;UQXZWQSIAGGFLL-UHFFFAOYSA-N;140.14;0.5;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNa_SP2";;;;;;;-0.24;;-3.24;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM441890;MM441890;O=c1nc(O)[nH]c(=NO)o1;OKFPUDDHCKSOBM-UHFFFAOYSA-N;145.07;-1.64;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP3_SP3";;;;;;;-3.07;;-10.28;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM441891;MM441891;NN=c1cnn(N)c(=O)o1;CAEOTHVXIPQJSW-UHFFFAOYSA-N;143.11;-2.68;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP3_SP2";;;;;;;-2.2;;-5.19;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM441892;MM441892;NCC#CC1OC1CCO;JRJSCIAZDUNCQE-UHFFFAOYSA-N;141.17;-0.9;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_SP1";;;;;;;0.04;;-4.03;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM441893;MM441893;C=Cn1oc(CO)nc1=O;JYXFYOVFPSHWHF-UHFFFAOYSA-N;142.11;-0.57;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP1_SP2";;;;;;;-1.06;;-3.82;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM441894;MM441894;N#CC(=CN)C(O)C(=O)O;ZVMZFUJPSXACER-UHFFFAOYSA-N;142.11;-1.2;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_P2";;;;;;;-1.06;;-9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM441895;MM441895;CC=CC1CC(OC)=CO1;SIPMJPIWCOBITQ-UHFFFAOYSA-N;140.18;1.84;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNa_SC4";;;;;;;2.2;;0.34;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM441896;MM441896;CNCC1OC1C#CCN;KBHLUQHXGZHTLX-UHFFFAOYSA-N;140.19;-1.06;;;;;DOPC;MDCG;27;1;"MARTINI bead: SP2_Nd";;;;;;;-0.24;;-5.36;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM441897;MM441897;C=Cn1oc(CF)nc1=O;TWGDPVPBEZVUSX-UHFFFAOYSA-N;144.11;0.41;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNa_SP2";;;;;;;-0.24;;-3.24;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM441898;MM441898;CN(N)C(=O)C#CC(=O)O;ABPSRNOYGDNPRT-UHFFFAOYSA-N;142.11;-1.59;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_P1";;;;;;;-0.79;;-8.77;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM441899;MM441899;CCc1cc(=NN)onn1;PYBAGFPPTQPUJV-UHFFFAOYSA-N;140.15;-0.59;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNa_SP2";;;;;;;-0.24;;-3.24;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM441900;MM441900;CCC#CC1CN1CCC;GDAFPQRDHOUMPJ-UHFFFAOYSA-N;137.23;1.49;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNd_C3";;;;;;;2.57;;0.54;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM441901;MM441901;CCc1nc(=O)n(C=N)o1;ISXOWOAHQROMQX-UHFFFAOYSA-N;141.13;-0.15;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNa_SP3";;;;;;;-1.1;;-4.2;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM441902;MM441902;N=c1c(=O)c(N)n[nH]n1N;BIWOZJHJRDEFCL-UHFFFAOYSA-N;142.12;-2.65;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP2_SP3";;;;;;;-2.2;;-9.63;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM441903;MM441903;CC=CC1CNC(CC)=N1;GGLLJQRSNCUSLQ-UHFFFAOYSA-N;138.21;1.34;;;;;DOPC;MDCG;27;1;"MARTINI bead: SNd_SN0";;;;;;;1.17;;-3.57;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM441904;MM441904;CC#CC=NNC=NC;OQCXIWDNYNMYDO-UHFFFAOYSA-N;123.16;0.24;;;;;DOPC;MDCG;27;0;"MARTINI bead: N0_Nd";;;;;;;1.17;;-1.04;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM441905;MM441905;N=Cn1oc(CO)nc1=O;BNLUFNZNFNIATB-UHFFFAOYSA-N;143.1;-1.22;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP1_SP3";;;;;;;-1.93;;-4.72;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM441906;MM441906;O=C(O)c1oc(=O)oc1F;MDQGUHRBCFJKJV-UHFFFAOYSA-N;148.05;0.07;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_SP1";;;;;;;-0.79;;-8.78;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM441907;MM441907;CC=CC1CN=C(CO)N1;HFMKCKROTOJOTK-UHFFFAOYSA-N;140.19;-0.07;;;;;DOPC;MDCG;27;1;"MARTINI bead: SN0_SP1";;;;;;;0.34;;-2.67;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM441908;MM441908;CCCN1CC1C#CCF;GCPACTBCTRUWKX-UHFFFAOYSA-N;141.19;1.05;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNd_Na";;;;;;;0.87;;-1.88;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM441909;MM441909;N=Cn1oc(CF)nc1=O;WBGIVLBXVCFXQF-UHFFFAOYSA-N;145.09;-0.24;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNa_SP3";;;;;;;-1.1;;-4.2;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM441910;MM441910;C=Cc1con(C=C)c1=N;YFIAKADYROZCSJ-UHFFFAOYSA-N;136.15;1.3;;;;;DOPC;MDCG;27;1;"MARTINI bead: SN0_SP1";;;;;;;0.34;;-3.2;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM441911;MM441911;CC=CC1CN=C(NN)N1;WJXYYCSQHQZMHG-UHFFFAOYSA-N;140.19;-0.65;;;;;DOPC;MDCG;27;1;"MARTINI bead: SN0_SP2";;;;;;;0.06;;-5.58;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM441912;MM441912;CCC#CC1CN1CCN;YEFBXCRENUNARV-UHFFFAOYSA-N;138.21;0.04;;;;;DOPC;MDCG;27;1;"MARTINI bead: C3_SP2";;;;;;;1.46;;-1.99;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM441913;MM441913;CCc1nc(=O)n(C=O)o1;IVKLNDLDBOBWGC-UHFFFAOYSA-N;142.11;-0.56;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNa_SP2";;;;;;;-0.24;;-3.24;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM441914;MM441914;C=Cn1occ(C#N)c1=N;VFRVCRNEVLFIHF-UHFFFAOYSA-N;135.13;0.53;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP1_SP1";;;;;;;-0.79;;-3.13;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM441915;MM441915;CC=CC1CC=C(CN)O1;NEQJRLMKGNKEME-UHFFFAOYSA-N;139.2;1.19;;;;;DOPC;MDCG;27;1;"MARTINI bead: SC4_SP2";;;;;;;1.09;;-1.79;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM441916;MM441916;NCC#CC1CN1CCN;PXOWRVSCSASUBK-UHFFFAOYSA-N;139.2;-1.41;;;;;DOPC;MDCG;27;1;"MARTINI bead: SP2_Nd";;;;;;;-0.24;;-5.23;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM441917;MM441917;O=Cn1oc(CO)nc1=O;KJHCNKTYBYPUGI-UHFFFAOYSA-N;144.09;-1.63;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP1_SP2";;;;;;;-1.06;;-3.82;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM441918;MM441918;N#Cc1con(C=N)c1=N;HWDMKWLWTVEDSJ-UHFFFAOYSA-N;136.11;-0.11;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP2_SP1";;;;;;;-1.06;;-3.82;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM441919;MM441919;CC=CC1CC=C(CO)O1;QWVIQCPDRHWPEC-UHFFFAOYSA-N;140.18;1.23;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC4_SP1";;;;;;;1.37;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM441920;MM441920;CNN=CC(C)CC(C)=O;MVIMNQUGXFGVEY-UHFFFAOYSA-N;142.2;0.81;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nd_Na";;;;;;;0.87;;-1.88;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM441921;MM441921;O=Cn1oc(CF)nc1=O;CXSKNJQUUFEJAZ-UHFFFAOYSA-N;146.08;-0.66;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNa_SP2";;;;;;;-0.24;;-3.24;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM441922;MM441922;C=Cc1con(C=C)c1=O;JZQOTNUEZURBGY-UHFFFAOYSA-N;137.14;1.18;;;;;DOPC;MDCG;27;0;"MARTINI bead: SN0_SP1";;;;;;;0.34;;-1.53;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM441923;MM441923;NN=c1cc(CF)nno1;WWZVFVDRIPUKHX-UHFFFAOYSA-N;144.11;-0.69;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP2_SP1";;;;;;;-1.06;;-3.82;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM441924;MM441924;CCCC1CC1C#CC#N;RFHNXPNUXCRRNU-UHFFFAOYSA-N;133.19;1.95;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC2_N0";;;;;;;3.13;;0.3;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM441925;MM441925;C=Cn1oc(NC)nc1=N;CWFLIYFRNIVRDY-UHFFFAOYSA-N;140.15;0.1;;;;;DOPC;MDCG;27;1;"MARTINI bead: SNda_SP2";;;;;;;-0.24;;-5.61;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM441926;MM441926;C=Cn1occ(C#N)c1=O;MKMXWMLTIPSUGX-UHFFFAOYSA-N;136.11;0.41;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP1_SP1";;;;;;;-0.79;;-3.13;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM441927;MM441927;CC=CC1OC=C(CN)O1;NNWFBSLLWAWKSN-UHFFFAOYSA-N;141.17;0.74;;;;;DOPC;MDCG;27;1;"MARTINI bead: SNa_SP2";;;;;;;-0.24;;-4.61;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM441928;MM441928;C=CC#CC1CC1CCN;HOFWCJNEXVJYFU-UHFFFAOYSA-N;135.21;1.16;;;;;DOPC;MDCG;27;1;"MARTINI bead: SNd_C4";;;;;;;2.2;;-2.21;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM441929;MM441929;CC#CC1CCC(=NN)O1;NVYVUBPVXPLLBU-UHFFFAOYSA-N;138.17;0.46;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC5_SNda";;;;;;;1.64;;0.05;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM441930;MM441930;C=Cc1con(N=C)c1=N;NRBMXOKFFZNBLM-UHFFFAOYSA-N;137.14;0.67;;;;;DOPC;MDCG;27;0;"MARTINI bead: SN0_SP1";;;;;;;0.34;;-1.53;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM441931;MM441931;CC=CC1ON=C(CO)O1;AOXIURCIIVMCLF-UHFFFAOYSA-N;143.14;0.24;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNa_SP2";;;;;;;-0.24;;-3.24;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM441932;MM441932;CON=CC(C)=CC(C)=O;XRDJDIMBPMQYOA-UHFFFAOYSA-N;141.17;1.15;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_C5";;;;;;;0.81;;-0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM441933;MM441933;C=Cn1oc(NC)nc1=O;DHUVFPBNBYMODA-UHFFFAOYSA-N;141.13;-0.02;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNda_SP2";;;;;;;-0.24;;-3.31;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM441934;MM441934;C=Nn1occ(C#N)c1=N;HJKXGNJUBLBLDS-UHFFFAOYSA-N;136.11;-0.1;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP1_SP1";;;;;;;-0.79;;-3.13;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM441935;MM441935;CCC1=CCN(C=NC)C1;SRLLDPMASGJRHB-UHFFFAOYSA-N;138.21;1.3;;;;;DOPC;MDCG;27;1;"MARTINI bead: SN0_SNd";;;;;;;1.17;;-3.58;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM441936;MM441936;C=NOC(C)CCC(C)=O;CVVRFTJMSFDPAZ-UHFFFAOYSA-N;143.19;1.38;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_P1";;;;;;;0.81;;-0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM441937;MM441937;CNc1nc(=O)n(C=N)o1;ROOKBPMGYXZJNR-UHFFFAOYSA-N;142.12;-0.67;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNda_SP3";;;;;;;-1.1;;-3.97;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM441938;MM441938;C=Cc1non(C=C)c1=N;WJPZAJLJFCUUMA-UHFFFAOYSA-N;137.14;0.7;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNa_SP2";;;;;;;-0.24;;-3.24;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM441939;MM441939;CN=CN1CC=C(OC)C1;ALXUYUDOSBDBAX-UHFFFAOYSA-N;140.19;0.49;;;;;DOPC;MDCG;27;1;"MARTINI bead: SP1_SNd";;;;;;;0.04;;-4.51;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM441940;MM441940;N#CC#CC1CC1CCF;CWKZTRPMAYFKNI-UHFFFAOYSA-N;137.16;1.51;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC5_N0";;;;;;;1.94;;0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM441941;MM441941;CNc1nc(=O)n(C=O)o1;ZHOLZKIWHQZKPI-UHFFFAOYSA-N;143.1;-1.08;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNda_SP2";;;;;;;-0.24;;-3.31;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM441942;MM441942;C=Cn1onc(C=O)c1=N;MDCMFBZDKOTAJB-UHFFFAOYSA-N;139.11;-0.13;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP2_SP1";;;;;;;-1.06;;-3.82;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM441943;MM441943;CC=NN1CC=C(CC)C1;GCMMQZHUPMJGFL-UHFFFAOYSA-N;138.21;1.64;;;;;DOPC;MDCG;27;0;"MARTINI bead: SN0_SN0";;;;;;;1.47;;-0.05;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM441944;MM441944;C=CC#CC1CC1CNC;JIHNSQFJXYKPDY-UHFFFAOYSA-N;135.21;1.03;;;;;DOPC;MDCG;27;1;"MARTINI bead: SNd_C4";;;;;;;2.2;;-2.5;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM441945;MM441945;COc1nc(=N)n(C=N)o1;OWRMBNQBOOXMTR-UHFFFAOYSA-N;142.12;-0.58;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNa_SP3";;;;;;;-1.1;;-4.2;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM441946;MM441946;C=Cn1onc(C#N)c1=N;NJNMPLTZJIMIIN-UHFFFAOYSA-N;136.11;-0.07;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP2_SNa";;;;;;;-0.24;;-3.24;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM441947;MM441947;CC=NN1CC=C(CN)C1;CEMFARCMZABSGG-UHFFFAOYSA-N;139.2;0.19;;;;;DOPC;MDCG;27;1;"MARTINI bead: SN0_SP2";;;;;;;0.06;;-4.11;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM441948;MM441948;CNCC1CC1C#CC#N;UZTFJAOFTJXPTQ-UHFFFAOYSA-N;134.18;0.37;;;;;DOPC;MDCG;27;1;"MARTINI bead: SNd_N0";;;;;;;1.17;;-4.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM441949;MM441949;COc1nc(=N)n(C=O)o1;NMDOEVAWQVZVFI-UHFFFAOYSA-N;143.1;-1;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNa_SP3";;;;;;;-1.1;;-4.2;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM441950;MM441950;C=Cc1non(C=N)c1=N;OHCKXUDCIADIKO-UHFFFAOYSA-N;138.13;0.05;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNa_SP3";;;;;;;-1.1;;-4.2;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM441951;MM441951;COc1cc(=NN)onn1;OZHAWNMVMXLLSB-UHFFFAOYSA-N;142.12;-1.15;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP1_SP2";;;;;;;-1.06;;-3.82;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM441952;MM441952;COCC1CC1C#CC#N;WCPALTQHTUOKRO-UHFFFAOYSA-N;135.17;0.8;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_SN0";;;;;;;0.34;;-1.53;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM441953;MM441953;C=Cn1oc(OC)nc1=O;JYXPNNSUWVSYAB-UHFFFAOYSA-N;142.11;-0.05;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNa_SP2";;;;;;;-0.24;;-3.24;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM441954;MM441954;N=Cn1onc(C=O)c1=N;PIXVBLQOVYSZFD-UHFFFAOYSA-N;140.1;-0.78;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP3_SP1";;;;;;;-1.93;;-4.72;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM441955;MM441955;CC=NN1CC=C(CF)C1;ZFVXKVWPHBELLL-UHFFFAOYSA-N;142.18;1.2;;;;;DOPC;MDCG;27;0;"MARTINI bead: SN0_SNa";;;;;;;1.17;;-1.18;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM441956;MM441956;C=CC#CC1CC1NCC;OKSJKIIZELGPNF-UHFFFAOYSA-N;135.21;1.17;;;;;DOPC;MDCG;27;1;"MARTINI bead: SNd_C4";;;;;;;2.2;;-1.63;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM441957;MM441957;COc1nc(=O)n(C=N)o1;POFKYXTUZQFTKQ-UHFFFAOYSA-N;143.1;-0.7;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNa_SP3";;;;;;;-1.1;;-4.2;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM441958;MM441958;N#Cc1non(C=N)c1=N;IEVHBLHTDXXQOC-UHFFFAOYSA-N;137.1;-0.72;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP3_SNa";;;;;;;-1.1;;-4.2;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM441959;MM441959;C=CC1=CCC(C=CC)C1;AWFOBUAYYNJBLB-UHFFFAOYSA-N;134.22;3.08;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC1_SC3";;;;;;;4.61;;0.31;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM441960;MM441960;CCNC1CC1C#CC#N;ZCJLIJDESKPYSM-UHFFFAOYSA-N;134.18;0.51;;;;;DOPC;MDCG;27;1;"MARTINI bead: SNd_N0";;;;;;;1.17;;-3.02;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM441961;MM441961;COc1nc(=O)n(C=O)o1;MAFONMKTPHZOCR-UHFFFAOYSA-N;144.09;-1.12;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNa_SP2";;;;;;;-0.24;;-3.24;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM441962;MM441962;C=Cc1non(C=O)c1=N;UEVVOKGTSKGUPR-UHFFFAOYSA-N;139.11;-0.36;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNa_SP3";;;;;;;-1.1;;-4.2;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM441963;MM441963;CC=CC1CC(C=O)=CN1;BQLKYMUTYQREOC-UHFFFAOYSA-N;137.18;1.01;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC5_SP2";;;;;;;0.54;;-1.09;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM441964;MM441964;C=CC#CC1NC1CCC;GAWVSXCGEQFNDC-UHFFFAOYSA-N;135.21;1.32;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNd_N0";;;;;;;1.17;;-1.04;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM441965;MM441965;C=Nn1oc(CC)nc1=N;HHXQGFSYFPNSEJ-UHFFFAOYSA-N;140.15;-0.02;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNa_SP2";;;;;;;-0.24;;-3.24;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM441966;MM441966;N=c1c(C=O)non1C=O;SVQKYFJNTCICNB-UHFFFAOYSA-N;141.09;-1.19;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP1_SP3";;;;;;;-1.93;;-4.72;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM441967;MM441967;CC=CC1CC(C#N)=CN1;AOMKRHZOPXFFMH-UHFFFAOYSA-N;134.18;1.33;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC5_SP1";;;;;;;0.81;;-0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM441968;MM441968;CCCC1NC1C#CC=O;GDKANTHAFGIPCN-UHFFFAOYSA-N;137.18;0.33;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNd_P1";;;;;;;0.04;;-2.63;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM441969;MM441969;C=Nn1oc(CN)nc1=N;KQYXLFCDBQVMGG-UHFFFAOYSA-N;141.13;-1.12;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP2_SP2";;;;;;;-1.34;;-4.31;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM441970;MM441970;N#Cc1non(C=O)c1=N;DVHTZLZNYLOVIN-UHFFFAOYSA-N;138.09;-1.13;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNa_SP3";;;;;;;-1.1;;-4.2;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM441971;MM441971;C=Cc1cc(=NN)onn1;ZPZPPDNBFVXKGQ-UHFFFAOYSA-N;138.13;-0.51;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP2_SNa";;;;;;;-0.24;;-3.24;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM441972;MM441972;CCCC1NC1C#CC#N;BBZQQWJHIKCYEC-UHFFFAOYSA-N;134.18;0.65;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNd_N0";;;;;;;1.17;;-1.04;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM441973;MM441973;CCC=C1COC(=NN)C1;QMLYIUHOXUEJBE-UHFFFAOYSA-N;140.19;1.02;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC5_SNda";;;;;;;1.64;;0.05;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM441974;MM441974;C=Cc1non(C=C)c1=O;PBEBRMRUQOLMDA-UHFFFAOYSA-N;138.13;0.58;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNa_SP2";;;;;;;-0.24;;-3.24;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM441975;MM441975;C#Cc1cc(=NN)onn1;OHLYQUZHFSMVCY-UHFFFAOYSA-N;136.11;-1.17;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP2_SP1";;;;;;;-1.06;;-3.82;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM441976;MM441976;C=CC#CC1NC1CCN;HAYZKABVUJDUPD-UHFFFAOYSA-N;136.2;-0.14;;;;;DOPC;MDCG;27;1;"MARTINI bead: SP2_N0";;;;;;;0.06;;-4.65;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM441977;MM441977;C=Nn1oc(CF)nc1=N;UQIUKBOHBNXBFC-UHFFFAOYSA-N;144.11;-0.11;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNa_SP2";;;;;;;-0.24;;-3.24;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM441978;MM441978;C=Cn1onc(C=O)c1=O;YGNQGVKROIXFIB-UHFFFAOYSA-N;140.1;-0.25;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP2_SP1";;;;;;;-1.06;;-3.82;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM441979;MM441979;C=CC1=CCC(C=CC)O1;NFRHRUXUSFIEEZ-UHFFFAOYSA-N;136.19;2.42;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC4_SNa";;;;;;;2.2;;0.34;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM441980;MM441980;C=NOC(C)C#CC(C)=O;UXNQVGJIXTVHHP-UHFFFAOYSA-N;139.15;0.6;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_Na";;;;;;;0.87;;-2.22;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM441981;MM441981;C=Nn1oc(CC)nc1=O;KCTKTVRUNHLAFY-UHFFFAOYSA-N;141.13;-0.14;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNa_SP3";;;;;;;-1.1;;-4.2;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM441982;MM441982;C=Cn1onc(C#N)c1=O;NCPJAVNWPYQGTF-UHFFFAOYSA-N;137.1;-0.19;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP2_SNa";;;;;;;-0.24;;-3.24;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM441983;MM441983;CC=CC1CC=C(C=O)O1;YRTIEVAFFVFEBR-UHFFFAOYSA-N;138.17;1.43;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC4_SNa";;;;;;;2.2;;0.34;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM441984;MM441984;C=CC#CC1NC1CNC;PTCAPLHXVMBRRJ-UHFFFAOYSA-N;136.2;-0.26;;;;;DOPC;MDCG;27;1;"MARTINI bead: SP2_N0";;;;;;;0.06;;-4.23;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM441985;MM441985;C=Nn1oc(CO)nc1=O;AOYICUHXLAUHAA-UHFFFAOYSA-N;143.1;-1.21;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP1_SP3";;;;;;;-1.93;;-4.72;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM441986;MM441986;C=Cc1non(C=N)c1=O;XAELIIRYJWIRSC-UHFFFAOYSA-N;139.11;-0.07;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNa_SP3";;;;;;;-1.1;;-4.2;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM441987;MM441987;CC=CC1CC=C(C#N)O1;VUPFLFFXBUXKHV-UHFFFAOYSA-N;135.17;1.76;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC4_SNa";;;;;;;2.2;;0.34;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM441988;MM441988;CNCC1NC1C#CC=O;AHDPBWNJXIZUIX-UHFFFAOYSA-N;138.17;-1.25;;;;;DOPC;MDCG;27;1;"MARTINI bead: SP2_P1";;;;;;;-1.06;;-5.71;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM441989;MM441989;C=Nn1oc(CF)nc1=O;BPSCFWLMVUMZSB-UHFFFAOYSA-N;145.09;-0.23;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNa_SP3";;;;;;;-1.1;;-4.2;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM441990;MM441990;N=Cn1onc(C=O)c1=O;IPVZCNYDIMXWCG-UHFFFAOYSA-N;141.09;-0.9;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP3_SP1";;;;;;;-1.93;;-4.72;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM441991;MM441991;C=CC1=CCN(N=CC)C1;LDEWHCKVHOOWLQ-UHFFFAOYSA-N;136.2;1.42;;;;;DOPC;MDCG;27;0;"MARTINI bead: SN0_SP1";;;;;;;0.34;;-1.53;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM441992;MM441992;COCC1NC1C#CC#N;JRDQLGXBQRCGMF-UHFFFAOYSA-N;136.15;-0.5;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_SP2";;;;;;;-1.06;;-3.82;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM441993;MM441993;CCC=C1CCC(=NN)O1;GVISUNZIIQLMMK-UHFFFAOYSA-N;140.19;1.36;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC5_SNda";;;;;;;1.64;;0.05;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM441994;MM441994;N#Cc1non(C=N)c1=O;GEROBNHRDIKWCW-UHFFFAOYSA-N;138.09;-0.84;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP3_SNa";;;;;;;-1.1;;-4.2;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM441995;MM441995;CC=NN1CC=C(C=O)C1;OSMLWZYMGFVWIA-UHFFFAOYSA-N;138.17;0.43;;;;;DOPC;MDCG;27;0;"MARTINI bead: SN0_SP1";;;;;;;0.34;;-1.53;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM441996;MM441996;C=CC#CC1OC1CCC;KCXLQGMXBDPVPY-UHFFFAOYSA-N;136.19;1.74;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNa_C4";;;;;;;2.2;;0.34;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM441997;MM441997;C=CC=C1COC(=NN)C1;WPTFSQYOTHQARB-UHFFFAOYSA-N;138.17;0.79;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNda_SC5";;;;;;;1.64;;0.05;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM441998;MM441998;C=Cc1non(C=O)c1=O;HUYLHTBWAOFVLI-UHFFFAOYSA-N;140.1;-0.48;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNa_SP2";;;;;;;-0.24;;-3.24;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM441999;MM441999;CC=NN1CC=C(C#N)C1;CIHKZILBIOMKEG-UHFFFAOYSA-N;135.17;0.76;;;;;DOPC;MDCG;27;0;"MARTINI bead: SN0_SP1";;;;;;;0.34;;-1.53;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM442000;MM442000;CCCC1OC1C#CC=O;RZMZWMHNHBVWDZ-UHFFFAOYSA-N;138.17;0.76;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNa_P1";;;;;;;0.04;;-2.54;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM442001;MM442001;C=Nn1oc(OC)nc1=N;IKPRKOKMUVCRCL-UHFFFAOYSA-N;142.12;-0.57;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNa_SP2";;;;;;;-0.24;;-3.24;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM442002;MM442002;O=Cc1non(C=O)c1=O;LXHWRWVEQXAFER-UHFFFAOYSA-N;142.07;-1.31;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP1_SP2";;;;;;;-1.06;;-3.82;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM442003;MM442003;C#CC1=CCC(C=CC)C1;IZAUMQDKZGCDHX-UHFFFAOYSA-N;132.21;2.53;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC1_SC5";;;;;;;3.68;;0.46;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM442004;MM442004;CCCC1OC1C#CC#N;HRNVYSGBIFFIQO-UHFFFAOYSA-N;135.17;1.08;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNa_N0";;;;;;;1.17;;-1.18;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM442005;MM442005;C=Nn1oc(OC)nc1=O;ICCGANISKSJKAY-UHFFFAOYSA-N;143.1;-0.69;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNa_SP3";;;;;;;-1.1;;-4.2;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM442006;MM442006;N#Cc1non(C=O)c1=O;VBGMGCSBOZRQNZ-UHFFFAOYSA-N;139.07;-1.25;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP2_SNa";;;;;;;-0.24;;-3.24;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM442007;MM442007;C#CC1=CCN(N=CC)C1;HIDWDWHQPBKVEC-UHFFFAOYSA-N;134.18;0.87;;;;;DOPC;MDCG;27;0;"MARTINI bead: SN0_SP1";;;;;;;0.34;;-1.53;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM442008;MM442008;C=CC#CC1OC1CCN;NJCPNHUZHRBBCN-UHFFFAOYSA-N;137.18;0.29;;;;;DOPC;MDCG;27;1;"MARTINI bead: SP1_C4";;;;;;;1.37;;-2.64;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM442009;MM442009;C=CC1=CC(=C)N(C=N)C1;HHNIPUIIHAXNNF-UHFFFAOYSA-N;134.18;1.54;;;;;DOPC;MDCG;27;1;"MARTINI bead: SP1_SNd";;;;;;;0.04;;-5.08;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM442010;MM442010;C=Cc1non(N=C)c1=N;NGIKDWVYVAGVOU-UHFFFAOYSA-N;138.13;0.06;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNa_SP3";;;;;;;-1.1;;-4.2;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM442011;MM442011;CC#CC1CC=C(CC)C1;CRYIQEGAQWQUGL-UHFFFAOYSA-N;134.22;2.76;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC2_SC3";;;;;;;4.53;;0.32;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM442012;MM442012;C=CC#CC1OC1CCO;IPVZMYAVMLABTC-UHFFFAOYSA-N;138.17;0.33;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP1_C4";;;;;;;1.37;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM442013;MM442013;C=Cn1oc(C=O)nc1=N;PANQAYPIEWFYMX-UHFFFAOYSA-N;139.11;-0.13;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP2_SP1";;;;;;;-1.06;;-3.82;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM442014;MM442014;C=Nn1onc(C=O)c1=N;CBDLZJLJBIIJBL-UHFFFAOYSA-N;140.1;-0.77;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP3_SP1";;;;;;;-1.93;;-4.72;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM442015;MM442015;CC#CC1CC=C(CN)C1;ATQDDCPOSIBLRY-UHFFFAOYSA-N;135.21;1.3;;;;;DOPC;MDCG;27;1;"MARTINI bead: SC3_SNd";;;;;;;2.57;;-0.97;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM442016;MM442016;N#CC#CC1OC1CCO;IFPWMNGJOOTNJJ-UHFFFAOYSA-N;137.14;-0.34;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP1_N0";;;;;;;0.34;;-1.53;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM442017;MM442017;C=Cn1oc(C#N)nc1=N;BRKUEOGZNINEJD-UHFFFAOYSA-N;136.11;-0.07;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP2_SP1";;;;;;;-1.06;;-3.82;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM442018;MM442018;C=Nn1onc(C#N)c1=N;VUGVGBWLSVBPIH-UHFFFAOYSA-N;137.1;-0.71;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP3_SNa";;;;;;;-1.1;;-4.2;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM442019;MM442019;CC#CC1CC=C(CO)C1;HORVSKGALXOANP-UHFFFAOYSA-N;136.19;1.34;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC3_SNda";;;;;;;2.57;;0.44;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM442020;MM442020;C=CC#CC1OC1CNC;LQPTXHUQQBEXRP-UHFFFAOYSA-N;137.18;0.16;;;;;DOPC;MDCG;27;1;"MARTINI bead: SP2_C4";;;;;;;1.09;;-2.45;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM442021;MM442021;C=Cc1nc(=N)n(C=N)o1;PEGAOOLMBARQGH-UHFFFAOYSA-N;138.13;0.05;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNa_SP3";;;;;;;-1.1;;-4.2;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM442022;MM442022;C=Cc1non(N=C)c1=O;FVRSISUACNQMLL-UHFFFAOYSA-N;139.11;-0.06;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNa_SP2";;;;;;;-0.24;;-3.24;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM442023;MM442023;CC#CC1CC=C(CF)C1;BFDFSZDYSGXYTE-UHFFFAOYSA-N;138.19;2.32;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC3_SC5";;;;;;;3.34;;0.48;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM442024;MM442024;CNCC1OC1C#CC#N;PBSZVQGOXPJNCN-UHFFFAOYSA-N;136.15;-0.5;;;;;DOPC;MDCG;27;1;"MARTINI bead: SP2_N0";;;;;;;0.06;;-4.25;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM442025;MM442025;N=Cn1oc(C=O)nc1=N;YTBQSXODEAUREI-UHFFFAOYSA-N;140.1;-0.78;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP3_SP1";;;;;;;-1.93;;-4.72;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM442026;MM442026;C=Nn1onc(C=O)c1=O;GYGNREFGBPABTM-UHFFFAOYSA-N;141.09;-0.89;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP2_SP1";;;;;;;-1.06;;-3.82;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM442027;MM442027;CC#CC1CC=C(OC)C1;YNCZFEMMUWAXQT-UHFFFAOYSA-N;136.19;1.95;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC5_SC3";;;;;;;3.34;;0.48;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM442028;MM442028;CCCN1CC1C#CC=O;YFISRTFIUUPKDP-UHFFFAOYSA-N;137.18;0.28;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNd_P1";;;;;;;0.04;;-2.63;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM442029;MM442029;N#Cc1nc(=N)n(C=N)o1;LDXKQZQSEODLBZ-UHFFFAOYSA-N;137.1;-0.72;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP3_SP1";;;;;;;-1.93;;-4.72;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM442030;MM442030;C=Nn1onc(C#N)c1=O;JPKLAIIMVJUETJ-UHFFFAOYSA-N;138.09;-0.83;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP2_SNa";;;;;;;-0.24;;-3.24;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM442031;MM442031;C=CC1=NNC(CC#N)C1;VOSXZOZGAZPEDC-UHFFFAOYSA-N;135.17;0.8;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP1_SNd";;;;;;;0.04;;-2.63;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM442032;MM442032;CCCN1CC1C#CC#N;HTGVYOUQMWCVSD-UHFFFAOYSA-N;134.18;0.61;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNd_N0";;;;;;;1.17;;-1.04;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM442033;MM442033;C=Cc1nc(=N)n(C=O)o1;CIFIHSDYOMVZKC-UHFFFAOYSA-N;139.11;-0.36;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNa_SP3";;;;;;;-1.1;;-4.2;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM442034;MM442034;C#CC1=CCC(C=C)C1=C;BAVRRFKRFXPQFH-UHFFFAOYSA-N;130.19;2.31;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC3_SC5";;;;;;;3.34;;0.48;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM442035;MM442035;COc1cc(=NN)on1N;RXJHDZOJRJOYKJ-UHFFFAOYSA-N;144.13;-1.42;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNa_SP2";;;;;;;-0.24;;-3.24;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM442036;MM442036;C=NNC(=N)C=C(C)OC;VNGKHWQYBIJGTF-UHFFFAOYSA-N;141.17;0.72;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_P2";;;;;;;0.54;;-1.09;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM442037;MM442037;N=c1nc(C=O)on1C=O;DYEBYEDFKFNGRP-UHFFFAOYSA-N;141.09;-1.19;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP1_SP3";;;;;;;-1.93;;-4.72;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM442038;MM442038;C#CC1=CCC(C=O)C1=C;QWGRFTZETGNLRW-UHFFFAOYSA-N;132.16;1.32;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNa_SC5";;;;;;;1.64;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM442039;MM442039;C=c1cnoc(=NN)c1=C;XNVHZGMEHUXCGI-UHFFFAOYSA-N;137.14;-1.73;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP1_SP1";;;;;;;-0.79;;-3.13;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM442040;MM442040;C#CC#CC1CC1CCC;JNYISZSZMMYCTA-UHFFFAOYSA-N;132.21;2.06;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC2_C4";;;;;;;4.16;;0.44;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM442041;MM442041;N#Cc1nc(=N)n(C=O)o1;MWMMGEWNIIYYED-UHFFFAOYSA-N;138.09;-1.13;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP1_SP3";;;;;;;-1.93;;-4.72;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM442042;MM442042;C#CC1=CCC(C#N)C1=C;NFCDXNSZBUPWKE-UHFFFAOYSA-N;129.16;1.65;;;;;DOPC;MDCG;27;0;"MARTINI bead: SN0_SC5";;;;;;;1.94;;0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM442043;MM442043;Cn1ocnc(=NN)c1=O;DHDUHOOZADJRMN-UHFFFAOYSA-N;142.12;-1.85;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP3_SP2";;;;;;;-2.2;;-5.19;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM442044;MM442044;C#CC#CC1CC1CCN;BVZNVKLJIJOYHD-UHFFFAOYSA-N;133.19;0.61;;;;;DOPC;MDCG;27;1;"MARTINI bead: SNd_C4";;;;;;;2.2;;-2.21;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM442045;MM442045;C=Cc1nc(=O)n(C=C)o1;WUTWHRAKTNWADN-UHFFFAOYSA-N;138.13;0.58;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNa_SP2";;;;;;;-0.24;;-3.24;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM442046;MM442046;C#CC1=NNC(C=C)C1=C;YSUYOWAXPSBWFF-UHFFFAOYSA-N;132.17;0.69;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNd_SP1";;;;;;;0.04;;-2.63;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM442047;MM442047;CC#CC1CC(CC)=CO1;SLRAHMAUIMJRQS-UHFFFAOYSA-N;136.19;2.09;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC5_SC5";;;;;;;2.41;;0.64;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM442048;MM442048;C=NNC=NCCC(C)C;CIAAPLZNKFZCLA-UHFFFAOYSA-N;141.22;1.27;;;;;DOPC;MDCG;27;0;"MARTINI bead: C3_P1";;;;;;;1.74;;0.29;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM442049;MM442049;C=Cn1oc(C=O)nc1=O;FYKGVRINMBHLRW-UHFFFAOYSA-N;140.1;-0.25;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP2_SP1";;;;;;;-1.06;;-3.82;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM442050;MM442050;C#CC(=O)ON=CC(=O)O;YKRDYGQCBOLZGY-UHFFFAOYSA-N;141.08;-0.77;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_Na";;;;;;;0.04;;-8.23;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM442051;MM442051;CC#CC1CC(CN)=CO1;BTBZRSRMHAHLSI-UHFFFAOYSA-N;137.18;0.64;;;;;DOPC;MDCG;27;1;"MARTINI bead: SC5_SP1";;;;;;;0.81;;-2.66;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM442052;MM442052;C#CC#CC1CC1CNC;CPQVMDFMQDYSES-UHFFFAOYSA-N;133.19;0.48;;;;;DOPC;MDCG;27;1;"MARTINI bead: SNd_C4";;;;;;;2.2;;-2.46;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM442053;MM442053;C=Cn1oc(C#N)nc1=O;NGLWJLCEMULSHH-UHFFFAOYSA-N;137.1;-0.19;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP2_SP1";;;;;;;-1.06;;-3.82;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM442054;MM442054;C#CC1=COC(C=C)C1=C;XSDGWEUHBUSIJV-UHFFFAOYSA-N;132.16;1.64;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC5_SN0";;;;;;;1.94;;0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM442055;MM442055;CC#CC1CC(CO)=CO1;HDWHYYXQLBJMPT-UHFFFAOYSA-N;138.17;0.67;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC5_SP1";;;;;;;0.81;;-0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM442056;MM442056;C#CC#CC1CC1COC;JHLYRJORUHOIFP-UHFFFAOYSA-N;134.18;0.91;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_SC5";;;;;;;0.81;;-0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM442057;MM442057;C=Cc1nc(=O)n(C=N)o1;OUCDHSDLXQATJV-UHFFFAOYSA-N;139.11;-0.07;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNa_SP3";;;;;;;-1.1;;-4.2;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM442058;MM442058;C#CC1=COC(C=O)C1=C;CMDUFXJFVXNSJM-UHFFFAOYSA-N;134.13;0.66;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNa_SN0";;;;;;;1.17;;-1.18;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM442059;MM442059;CC#CC1CC(CF)=CO1;FVUUQJUOFURCQL-UHFFFAOYSA-N;140.16;1.65;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC5_SNa";;;;;;;1.64;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM442060;MM442060;C#CC#CC1CC1NCC;ARDYQUBIHJCIRA-UHFFFAOYSA-N;133.19;0.62;;;;;DOPC;MDCG;27;1;"MARTINI bead: SNd_C4";;;;;;;2.2;;-1.54;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM442061;MM442061;N=Cn1oc(C=O)nc1=O;ZQWGPYKXIQQQPJ-UHFFFAOYSA-N;141.09;-0.9;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP3_SP1";;;;;;;-1.93;;-4.72;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM442062;MM442062;C#CC1=COC(C#N)C1=C;IVXRTDLYTGRFNX-UHFFFAOYSA-N;131.13;0.98;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNa_SN0";;;;;;;1.17;;-1.18;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM442063;MM442063;CC#CC1CC(OC)=CO1;BECKIDGWJSJAIZ-UHFFFAOYSA-N;138.17;1.29;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNa_SC5";;;;;;;1.64;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM442064;MM442064;C#CC#CC1NC1CCC;PPLWXBZCCAYZMU-UHFFFAOYSA-N;133.19;0.76;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNd_N0";;;;;;;1.17;;-1.04;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM442065;MM442065;N#Cc1nc(=O)n(C=N)o1;SLKZRJPFPCILAY-UHFFFAOYSA-N;138.09;-0.84;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP3_SP1";;;;;;;-1.93;;-4.72;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM442066;MM442066;N=c1nn[nH]nc1CCF;DVUJDGOYQKURRD-UHFFFAOYSA-N;143.13;-0.81;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP2_SP2";;;;;;;-1.34;;-9.54;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM442067;MM442067;CC#CC1CC(CC)=NO1;KFAAYJNPEOAWAI-UHFFFAOYSA-N;137.18;1.56;;;;;DOPC;MDCG;27;0;"MARTINI bead: SN0_SNa";;;;;;;1.17;;-1.18;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM442068;MM442068;C#CC#CC1NC1CCN;VEGXJJRIVUTNIO-UHFFFAOYSA-N;134.18;-0.69;;;;;DOPC;MDCG;27;1;"MARTINI bead: SP2_N0";;;;;;;0.06;;-4.65;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM442069;MM442069;C=Cc1nc(=O)n(C=O)o1;KVUVQAFCDBLXAU-UHFFFAOYSA-N;140.1;-0.48;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNa_SP2";;;;;;;-0.24;;-3.24;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM442070;MM442070;C#CC1=NOC(C=C)C1=C;TWNQHYUMFDFYNO-UHFFFAOYSA-N;133.15;1.12;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNa_SN0";;;;;;;1.17;;-1.18;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM442071;MM442071;CC#CC1CC(CN)=NO1;NMUCWFHAVRSYHZ-UHFFFAOYSA-N;138.17;0.11;;;;;DOPC;MDCG;27;1;"MARTINI bead: SNa_SP2";;;;;;;-0.24;;-4.65;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM442072;MM442072;C=C(F)CC=NNC=NC;DXFKMNJASPHSPS-UHFFFAOYSA-N;143.17;1.09;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_C5";;;;;;;0.81;;-0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM442073;MM442073;O=Cc1nc(=O)n(C=O)o1;KUKPGIAMBQAUQP-UHFFFAOYSA-N;142.07;-1.31;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP1_SP2";;;;;;;-1.06;;-3.82;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM442074;MM442074;N=c1nn[nH]nc1CCO;QGRVBQIONIGSFX-UHFFFAOYSA-N;141.13;-1.79;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP3_SP2";;;;;;;-2.2;;-9.63;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM442075;MM442075;NN=c1ncon(N)c1=O;HGPCFCUBPFUTEL-UHFFFAOYSA-N;143.11;-2.68;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP3_SP3";;;;;;;-3.07;;-6.15;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM442076;MM442076;C#CC#CC1NC1CNC;LPJSBVLZQTXARJ-UHFFFAOYSA-N;134.18;-0.82;;;;;DOPC;MDCG;27;1;"MARTINI bead: SP2_N0";;;;;;;0.06;;-4.2;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM442077;MM442077;N#Cc1nc(=O)n(C=O)o1;SOIJWZMUIBYYJP-UHFFFAOYSA-N;139.07;-1.25;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP2_SP1";;;;;;;-1.06;;-3.82;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM442078;MM442078;N#CC1C=CC(=O)N1;WAXZCUQGLPZQGG-UHFFFAOYSA-N;108.1;-0.44;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP2_SP1";;;;;;;-1.06;;-9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM442079;MM442079;CC#CC1CC(CF)=NO1;WCWDTZSLFUDLEB-UHFFFAOYSA-N;141.15;1.12;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNa_SNa";;;;;;;0.87;;-2.22;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM442080;MM442080;C#CC#CC1NC1COC;GGUITXUJZSUZOB-UHFFFAOYSA-N;135.17;-0.39;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_SNd";;;;;;;0.04;;-2.63;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM442081;MM442081;C=Cc1nc(=N)n(N=C)o1;MQFMJUUMJZJTOH-UHFFFAOYSA-N;138.13;0.06;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNa_SP2";;;;;;;-0.24;;-3.24;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM442082;MM442082;C#CC1=CCN(C=N)C1=C;DVQKXGDWVSIHBC-UHFFFAOYSA-N;132.17;0.98;;;;;DOPC;MDCG;27;1;"MARTINI bead: SNd_SP1";;;;;;;0.04;;-4.73;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM442083;MM442083;CC#CC1CNC(CC)=N1;CLQDQCWJFJNMNP-UHFFFAOYSA-N;136.2;0.79;;;;;DOPC;MDCG;27;1;"MARTINI bead: SNd_SP1";;;;;;;0.04;;-3.84;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM442084;MM442084;C#CC#CC1OC1CCC;UOPMEDNNDKVEMC-UHFFFAOYSA-N;134.18;1.19;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNa_C4";;;;;;;2.2;;0.34;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM442085;MM442085;C=Nn1oc(C=O)nc1=N;PWQJVEZKEYIOGP-UHFFFAOYSA-N;140.1;-0.77;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP2_SP1";;;;;;;-1.06;;-3.82;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM442086;MM442086;N=C(N)C(=O)C(=O)C(=O)O;RZNPFAZUKWUZRF-UHFFFAOYSA-N;144.09;-1.85;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_P1";;;;;;;-1.06;;-9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM442087;MM442087;CC#CC1CN=C(CN)N1;BCQUAJBNALFGSD-UHFFFAOYSA-N;137.19;-0.66;;;;;DOPC;MDCG;27;1;"MARTINI bead: SP1_SP2";;;;;;;-1.06;;-4.88;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM442088;MM442088;C#CC#CC1OC1CCN;LKMJDRSDMDYTAR-UHFFFAOYSA-N;135.17;-0.26;;;;;DOPC;MDCG;27;1;"MARTINI bead: SP1_C4";;;;;;;1.37;;-2.64;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM442089;MM442089;C=Nn1oc(C#N)nc1=N;CLWQTOLPHVMTMI-UHFFFAOYSA-N;137.1;-0.71;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP2_SP1";;;;;;;-1.06;;-3.82;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM442090;MM442090;O=CC#CC#CC(=O)O;VYYWQTKUZIPEDA-UHFFFAOYSA-N;122.08;-0.72;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_C5";;;;;;;0.81;;-6.02;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM442091;MM442091;CC#CC1CN=C(CF)N1;WQFHBTCKZFLAQG-UHFFFAOYSA-N;140.16;0.35;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP1_SNda";;;;;;;0.04;;-2.73;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM442092;MM442092;C#CC#CC1OC1CCO;ZZXUGMJRBUQBFG-UHFFFAOYSA-N;136.15;-0.23;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP1_C4";;;;;;;1.37;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM442093;MM442093;C=Cc1nc(=O)n(N=C)o1;ACSDZUCYYFTJKW-UHFFFAOYSA-N;139.11;-0.06;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNa_SP3";;;;;;;-1.1;;-4.2;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM442094;MM442094;O=c1cc(F)[nH]n1O;ZMZIEJJVLVTDCU-UHFFFAOYSA-N;118.07;-0.45;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP2_SNa";;;;;;;-0.24;;-8.54;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM442095;MM442095;CC#CC1CN=C(NC)N1;OXOCOHBGZIVZRL-UHFFFAOYSA-N;137.19;-0.44;;;;;DOPC;MDCG;27;1;"MARTINI bead: SP1_SP1";;;;;;;-0.79;;-6.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM442096;MM442096;C#CC#CC1OC1CNC;DGPRODJSYATQQT-UHFFFAOYSA-N;135.17;-0.39;;;;;DOPC;MDCG;27;1;"MARTINI bead: SP2_C4";;;;;;;1.09;;-2.41;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM442097;MM442097;C=Nn1oc(C=O)nc1=O;ATYNRHPOSNWQJI-UHFFFAOYSA-N;141.09;-0.89;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP3_SP1";;;;;;;-1.93;;-4.72;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM442098;MM442098;N#CC(=O)NCC(=O)O;YNXMWERANWRACO-UHFFFAOYSA-N;128.09;-1.29;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_P2";;;;;;;-1.06;;-9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM442099;MM442099;CC#CC1CN=C(NN)N1;NDVCEASRCQIOIE-UHFFFAOYSA-N;138.17;-1.2;;;;;DOPC;MDCG;27;1;"MARTINI bead: SP1_SP2";;;;;;;-1.06;;-6.47;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM442100;MM442100;C#CC#CC1OC1COC;VQNJVBZWERGAEF-UHFFFAOYSA-N;136.15;0.04;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_SNa";;;;;;;0.04;;-2.54;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM442101;MM442101;C=Nn1oc(C#N)nc1=O;ZISQXQFDJBQXGY-UHFFFAOYSA-N;138.09;-0.83;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP3_SP1";;;;;;;-1.93;;-4.72;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM442102;MM442102;N=c1nn[nH]nc1CC=O;BKCSKWHBLNJNNR-UHFFFAOYSA-N;139.12;-1.58;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP2_SP3";;;;;;;-2.2;;-9.63;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM442103;MM442103;CC#CC1CN=C(NO)N1;VIDZLWIRXHJOAA-UHFFFAOYSA-N;139.16;-0.68;;;;;DOPC;MDCG;27;1;"MARTINI bead: SP1_SP2";;;;;;;-1.06;;-5.02;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM442104;MM442104;C#CC#CC1CN1CCC;FGLTVFQMTIMCGQ-UHFFFAOYSA-N;133.19;0.72;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNd_C4";;;;;;;2.2;;0.32;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM442105;MM442105;C#Cc1nc(=N)n(C=N)o1;MARJGDQPVKACCN-UHFFFAOYSA-N;136.11;-0.61;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP3_SP1";;;;;;;-1.93;;-4.72;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM442106;MM442106;O=c1o[nH]nc1NCCF;IFSHYKXRUWPTTJ-UHFFFAOYSA-N;147.11;-0.26;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP2_SP2";;;;;;;-1.34;;-9.54;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM442107;MM442107;CC#CC1CN=C(OC)N1;BLKBFBWSKBQGQJ-UHFFFAOYSA-N;138.17;-0.02;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP1_SP1";;;;;;;-0.79;;-3.13;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM442108;MM442108;C=CCC1CC1C#CCC;NWVOAHAQNFNOGW-UHFFFAOYSA-N;134.22;2.61;;;;;DOPC;MDCG;27;0;"MARTINI bead: C3_SC4";;;;;;;3.9;;0.47;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM442109;MM442109;C#Cc1nc(=N)n(C=O)o1;KLAMGTBFBBSXML-UHFFFAOYSA-N;137.1;-1.02;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP1_SP3";;;;;;;-1.93;;-4.72;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM442110;MM442110;CC#CC1CC=C(CC)O1;CRRZUQMRBNGRSY-UHFFFAOYSA-N;136.19;2.09;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC5_SC5";;;;;;;2.41;;0.64;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM442111;MM442111;O=c1o[nH]nc1NC1CC1;XTXRDHRUTYLHOP-UHFFFAOYSA-N;141.13;-0.06;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP2_SP2";;;;;;;-1.34;;-9.54;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM442112;MM442112;C=CCC1CC1C#CCN;VXIVCHWHKVPKQH-UHFFFAOYSA-N;135.21;1.16;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_SC4";;;;;;;2.2;;-0.93;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM442113;MM442113;C#Cc1nc(=O)n(C=C)o1;VSAJMQPNTYRJOJ-UHFFFAOYSA-N;136.11;-0.08;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP2_SP1";;;;;;;-1.06;;-3.82;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM442114;MM442114;CC#CC1CC=C(CN)O1;NMJAYMBXDVFRPA-UHFFFAOYSA-N;137.18;0.64;;;;;DOPC;MDCG;27;1;"MARTINI bead: SC5_SP2";;;;;;;0.54;;-2.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM442115;MM442115;CC(O)C(=CC#N)C(=O)O;VCRBITRGESIRAD-UHFFFAOYSA-N;141.13;-0.1;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda_P2";;;;;;;-0.24;;-8.43;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM442116;MM442116;C=CCC1CC1C#CCO;QCKYTMRHTAKILL-UHFFFAOYSA-N;136.19;1.19;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_SC4";;;;;;;1.09;;-0.38;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM442117;MM442117;C#Cc1nc(=O)n(C=N)o1;WBPYQNGGDKFNIM-UHFFFAOYSA-N;137.1;-0.73;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP3_SP1";;;;;;;-1.93;;-4.72;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM442118;MM442118;CC#CC1CC=C(CO)O1;DVWLFORKPFRMFO-UHFFFAOYSA-N;138.17;0.67;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC5_SP1";;;;;;;0.81;;-0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM442119;MM442119;C#Cc1con(C=N)c1=N;QMRHCYPTNSYZJS-UHFFFAOYSA-N;135.13;;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP2_SN0";;;;;;;0.06;;-2.21;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM442120;MM442120;CCC#CC1CC1CC=O;QOZFTXSSWZXEDY-UHFFFAOYSA-N;136.19;1.62;;;;;DOPC;MDCG;27;0;"MARTINI bead: C3_SNa";;;;;;;2.57;;0.45;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM442121;MM442121;C#Cc1nc(=O)n(C=O)o1;DWEZBBNKOYPLPO-UHFFFAOYSA-N;138.08;-1.14;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP2_SP1";;;;;;;-1.06;;-3.82;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM442122;MM442122;CC#CC1CC=C(CF)O1;PWXGHROVIXCKIT-UHFFFAOYSA-N;140.16;1.65;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC5_SNa";;;;;;;1.64;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM442123;MM442123;C#Cc1con(C=C)c1=O;YYQMBIHAWFVIRO-UHFFFAOYSA-N;135.12;0.52;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP1_SN0";;;;;;;0.34;;-1.53;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM442124;MM442124;CCC#CC1CC1CC#N;UNDWMMMOLIEQME-UHFFFAOYSA-N;133.19;1.95;;;;;DOPC;MDCG;27;0;"MARTINI bead: C3_SC5";;;;;;;3.34;;0.48;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM442125;MM442125;C#Cc1nc(=N)n(N=C)o1;GNGAPSOYAZOQMN-UHFFFAOYSA-N;136.11;-0.6;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP2_SP1";;;;;;;-1.06;;-3.82;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM442126;MM442126;Cc1nnoc(=NN)c1C;VDJFEAMTMWHQLL-UHFFFAOYSA-N;140.15;-0.54;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNa_SP2";;;;;;;-0.24;;-3.24;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM442127;MM442127;C#Cc1con(C=N)c1=O;ZZXLFVJPJXAWLS-UHFFFAOYSA-N;136.11;-0.12;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP2_SN0";;;;;;;0.06;;-2.21;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM442128;MM442128;N#CCC1CC1C#CCO;CTCRGYJDTFXVRH-UHFFFAOYSA-N;135.17;0.53;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_SC5";;;;;;;0.54;;-1.09;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM442129;MM442129;C#Cc1nc(=O)n(N=C)o1;FNOMXVVWBRLFPW-UHFFFAOYSA-N;137.1;-0.72;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP3_SP1";;;;;;;-1.93;;-4.72;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM442130;MM442130;C=CC1=NCC(=NN)ON1;QMWOZPDIOBGUFT-UHFFFAOYSA-N;140.15;-0.62;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP2_SNd";;;;;;;-0.24;;-3.16;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM442131;MM442131;C#Cc1con(N=C)c1=N;ULDTWDZADZNMAU-UHFFFAOYSA-N;135.13;0.01;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP1_SN0";;;;;;;0.34;;-1.53;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM442132;MM442132;N#CCC1CC1C#CCF;SDEPJDMPCQDPKN-UHFFFAOYSA-N;137.16;1.51;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_SC5";;;;;;;1.64;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM442133;MM442133;CC=C1CC(CC)=CC1C;GRLGDAZNPSJYSY-UHFFFAOYSA-N;136.24;3.31;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC2_SC2";;;;;;;4.78;;0.59;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM442134;MM442134;CC#CC1OC=C(CC)O1;LUPJBLCOXIMQQH-UHFFFAOYSA-N;138.17;1.63;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNa_SNa";;;;;;;0.87;;-2.22;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM442135;MM442135;C#Cc1con(N=C)c1=O;JVUYQRIGASBATL-UHFFFAOYSA-N;136.11;-0.11;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP2_SN0";;;;;;;0.06;;-2.21;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM442136;MM442136;CCC#CC1CC1NC=N;BPHDXAKZBSCRBF-UHFFFAOYSA-N;136.2;0.98;;;;;DOPC;MDCG;27;1;"MARTINI bead: C3_SP1";;;;;;;1.74;;-3.18;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM442137;MM442137;CC=C1CC(CN)=CC1C;SHACQJVTYWXYNW-UHFFFAOYSA-N;137.23;1.86;;;;;DOPC;MDCG;27;1;"MARTINI bead: SC2_SNd";;;;;;;2.83;;-0.23;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM442138;MM442138;C=CC1=CCC(C#CC)C1;FXTPYAZOOABTLN-UHFFFAOYSA-N;132.21;2.53;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC3_SC3";;;;;;;4.27;;0.2;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM442139;MM442139;C#Cc1non(C=C)c1=N;QLOLQAMXNAIQEG-UHFFFAOYSA-N;135.13;0.04;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP2_SNa";;;;;;;-0.24;;-3.24;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM442140;MM442140;N=CNC1CC1C#CCN;CJXFSUKMAFDCPY-UHFFFAOYSA-N;137.19;-0.47;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_SP1";;;;;;;0.04;;-6.5;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM442141;MM442141;C=CC=C1CCC(=NN)O1;NIOGRSGMSUPZSA-UHFFFAOYSA-N;138.17;1.14;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNda_SC5";;;;;;;1.64;;0.05;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM442142;MM442142;CC#CC1CC=C(C=O)C1;YLSZQDREFPRSLI-UHFFFAOYSA-N;134.18;1.55;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC3_SNa";;;;;;;2.57;;0.45;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM442143;MM442143;C#Cc1non(C=N)c1=N;NFVSDUDCLSCGSD-UHFFFAOYSA-N;136.11;-0.61;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP3_SNa";;;;;;;-1.1;;-4.2;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM442144;MM442144;C=NNC1CC1C#CCC;IPMZNOOHCQGKRM-UHFFFAOYSA-N;136.2;0.99;;;;;DOPC;MDCG;27;0;"MARTINI bead: C3_SNd";;;;;;;2.57;;0.53;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM442145;MM442145;CC=C1CC(CC)=CC1N;UNHUIUVGXKCQKG-UHFFFAOYSA-N;137.23;2;;;;;DOPC;MDCG;27;1;"MARTINI bead: SC2_SNd";;;;;;;2.83;;0.03;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM442146;MM442146;CC#CC1CC=C(C#N)C1;PGBPQRVPEFTFAK-UHFFFAOYSA-N;131.18;1.87;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC3_SN0";;;;;;;2.87;;0.37;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM442147;MM442147;C#Cc1non(C=O)c1=N;ATWRAPPIOISFBL-UHFFFAOYSA-N;137.1;-1.02;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNa_SP3";;;;;;;-1.1;;-4.2;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM442148;MM442148;C=NNC1CC1C#CCN;GRHLUDNAPURIES-UHFFFAOYSA-N;137.19;-0.46;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_SNd";;;;;;;0.87;;-3.6;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM442149;MM442149;CCC1=CC(C)C(=NC)N1;FELAIXGMPXBIJE-UHFFFAOYSA-N;138.21;1.55;;;;;DOPC;MDCG;27;1;"MARTINI bead: SC5_SN0";;;;;;;1.94;;-1.95;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM442150;MM442150;CC#CC1CC(C=O)=CN1;OUHHYIODFZJQNN-UHFFFAOYSA-N;135.17;0.45;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNd_SP2";;;;;;;-0.24;;-3.16;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM442151;MM442151;C#Cc1non(C=C)c1=O;XUZLSTKGROQJRD-UHFFFAOYSA-N;136.11;-0.08;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP2_SNa";;;;;;;-0.24;;-3.24;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM442152;MM442152;C=COC1CC1C#CCC;BPDJMSLPJJVSMJ-UHFFFAOYSA-N;136.19;1.95;;;;;DOPC;MDCG;27;0;"MARTINI bead: C3_SNa";;;;;;;2.57;;0.45;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM442153;MM442153;CC=C1NC(NC)=NC1C;JMZGWUNOWIHRAX-UHFFFAOYSA-N;139.2;0.46;;;;;DOPC;MDCG;27;1;"MARTINI bead: SP1_SNd";;;;;;;0.04;;-6.58;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM442154;MM442154;CC#CC1CC(C#N)=CN1;PMSFHGGWAUUJJK-UHFFFAOYSA-N;132.17;0.78;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNd_SP1";;;;;;;0.04;;-2.63;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM442155;MM442155;C#Cc1non(C=N)c1=O;JFEMGYMUVXNZJB-UHFFFAOYSA-N;137.1;-0.73;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP3_SNa";;;;;;;-1.1;;-4.2;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM442156;MM442156;C=COC1CC1C#CCN;JYRUEKSWJRVNAZ-UHFFFAOYSA-N;137.18;0.5;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_SNa";;;;;;;0.87;;-3.37;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM442157;MM442157;CC=C1OC(CC)=CC1C;JBICCMXSYHTSDH-UHFFFAOYSA-N;138.21;2.85;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC5_SC4";;;;;;;2.97;;0.45;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM442158;MM442158;NN=C1COCO1;IQMXVIAWYAVPAR-UHFFFAOYSA-N;102.09;-0.74;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP2_SP1";;;;;;;-1.06;;-3.82;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM442159;MM442159;C#Cc1non(C=O)c1=O;LAPNHWBEVFLNGQ-UHFFFAOYSA-N;138.08;-1.14;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP2_SNa";;;;;;;-0.24;;-3.24;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM442160;MM442160;C=NOC1CC1C#CCC;JWPUGTHMXZHGGR-UHFFFAOYSA-N;137.18;1.42;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC4_P1";;;;;;;1.37;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM442161;MM442161;CCc1cn(C)c(=NC)[nH]1;OKRXHIPXQNRVLK-UHFFFAOYSA-N;139.2;0.45;;;;;DOPC;MDCG;27;1;"MARTINI bead: SNd_SNd";;;;;;;0.87;;-6.3;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM442162;MM442162;C=CC(=O)OC=NN;VKXWHXXAQQBQFP-UHFFFAOYSA-N;114.1;-0.38;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_N0";;;;;;;0.34;;-1.53;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM442163;MM442163;C#Cc1non(N=C)c1=N;LIBXLEKCCUMQBL-UHFFFAOYSA-N;136.11;-0.6;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP3_SNa";;;;;;;-1.1;;-4.2;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM442164;MM442164;C=NOC1CC1C#CCN;VUEHHQBQEQXTLH-UHFFFAOYSA-N;138.17;-0.03;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_SNa";;;;;;;0.87;;-3.37;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM442165;MM442165;CN=c1[nH]c(CN)cn1C;DLABKSXVKVNMAL-UHFFFAOYSA-N;140.19;-0.66;;;;;DOPC;MDCG;27;1;"MARTINI bead: SNd_SP2";;;;;;;-0.24;;-7.09;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM442166;MM442166;CCOC(CF)=NN;OPHSUSCVRJAQAY-UHFFFAOYSA-N;120.13;0.26;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_P2";;;;;;;0.54;;-1.09;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM442167;MM442167;C#Cc1non(N=C)c1=O;YBSGWZJDSVWMST-UHFFFAOYSA-N;137.1;-0.72;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP2_SNa";;;;;;;-0.24;;-3.24;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM442168;MM442168;NN=CC#CC(F)C=NN;YSDXRWNSHOGQMF-UHFFFAOYSA-N;142.14;-0.78;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nd_Nda";;;;;;;0.87;;-1.92;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM442169;MM442169;CN=c1[nH]c(CO)cn1C;ZVAAHKZBVQEALB-UHFFFAOYSA-N;141.17;-0.62;;;;;DOPC;MDCG;27;1;"MARTINI bead: SNd_SP2";;;;;;;-0.24;;-6.6;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM442170;MM442170;C=CC1=COC(C#CC)C1;ANNTWMVGRBFFPR-UHFFFAOYSA-N;134.18;1.87;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC5_SC5";;;;;;;2.41;;0.64;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM442171;MM442171;C#CC1CC=C(CC)C1=C;CWZVWEYSVJJRSY-UHFFFAOYSA-N;132.21;2.53;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC1_SC5";;;;;;;3.68;;0.46;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM442172;MM442172;C=CCC1NC1C#CCN;MQYLOXSZOXZQPX-UHFFFAOYSA-N;136.2;-0.14;;;;;DOPC;MDCG;27;1;"MARTINI bead: P2_SNd";;;;;;;-0.24;;-4.59;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM442173;MM442173;CN=c1[nH]c(CF)cn1C;WITGKBCAMUZNGZ-UHFFFAOYSA-N;143.17;0.35;;;;;DOPC;MDCG;27;1;"MARTINI bead: SNd_SNda";;;;;;;0.87;;-5.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM442174;MM442174;CC#CC1CC(C=O)=CO1;YMXSUQPXGNNWKF-UHFFFAOYSA-N;136.15;0.88;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC5_SNa";;;;;;;1.64;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM442175;MM442175;C#CC1CC=C(CN)C1=C;FYAUMJWBUAJDKP-UHFFFAOYSA-N;133.19;1.08;;;;;DOPC;MDCG;27;1;"MARTINI bead: SNd_SC5";;;;;;;1.64;;-2.09;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM442176;MM442176;CCC#CC1NC1CC#N;PPIKGXIRDITMEZ-UHFFFAOYSA-N;134.18;0.65;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_SP2";;;;;;;0.54;;-1.09;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM442177;MM442177;CCc1cn(C)c(=NN)[nH]1;RKYAPOBGWPQGRI-UHFFFAOYSA-N;140.19;-0.31;;;;;DOPC;MDCG;27;1;"MARTINI bead: SNd_SP2";;;;;;;-0.24;;-5.87;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM442178;MM442178;CC#CC1CC(C#N)=CO1;LTIOIUWFZWQGKF-UHFFFAOYSA-N;133.15;1.21;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC5_SN0";;;;;;;1.94;;0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM442179;MM442179;C=CC(N)=NOC(C)=O;LYLLALFSQWYBNA-UHFFFAOYSA-N;128.13;0.01;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_N0";;;;;;;0.34;;-1.53;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM442180;MM442180;N#CCC1NC1C#CCF;HJLKDYZJWJEQFG-UHFFFAOYSA-N;138.15;0.21;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_SP2";;;;;;;-0.24;;-3.24;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM442181;MM442181;Cn1cc(CO)[nH]c1=NN;FILNYXDJRKRGTC-UHFFFAOYSA-N;142.16;-1.38;;;;;DOPC;MDCG;27;1;"MARTINI bead: SP2_SP2";;;;;;;-1.34;;-6.29;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM442182;MM442182;C=CC1=NOC(C#CC)C1;JUAGOTOTTMGASV-UHFFFAOYSA-N;135.17;1.34;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNa_SN0";;;;;;;1.17;;-1.18;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM442183;MM442183;C#CC1CC=C(OC)C1=C;BUDATORCRGGHGT-UHFFFAOYSA-N;134.18;1.73;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC4_SC5";;;;;;;2.97;;0.45;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM442184;MM442184;C=NN=C(C)C(=C)C(C)=O;XGIULHRJISKKRR-UHFFFAOYSA-N;138.17;1.21;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_C4";;;;;;;2.2;;0.34;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM442185;MM442185;Cn1cc(CF)[nH]c1=NN;KWNDCQYFCWULRT-UHFFFAOYSA-N;144.15;-0.4;;;;;DOPC;MDCG;27;1;"MARTINI bead: SNda_SP2";;;;;;;-0.24;;-5.42;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM442186;MM442186;CC#CC1CC(C=O)=NO1;HZRWRKVUCSAPDQ-UHFFFAOYSA-N;137.14;0.35;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNa_SP1";;;;;;;0.04;;-2.54;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM442187;MM442187;C#Cc1[nH]cc(CC)c1O;RWWZPGQWZQZVTA-UHFFFAOYSA-N;135.17;1.26;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC5_SNda";;;;;;;1.64;;0.05;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM442188;MM442188;C=CC#CC1CC1CC=C;QBEVOTOJXQWYBQ-UHFFFAOYSA-N;132.21;2.39;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC4_C4";;;;;;;3.53;;0.53;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM442189;MM442189;C#CC=C1COC(=NN)C1;UNZHBELSFDJQPI-UHFFFAOYSA-N;136.15;0.24;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNda_SN0";;;;;;;1.17;;-1.13;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM442190;MM442190;CC#CC1CC(C#N)=NO1;PBFMZDUBRDMJQQ-UHFFFAOYSA-N;134.14;0.68;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNa_SP1";;;;;;;0.04;;-2.54;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM442191;MM442191;C#Cc1[nH]cc(OC)c1O;GVVCOSSCWJTXSY-UHFFFAOYSA-N;137.14;0.71;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNa_SNda";;;;;;;0.87;;-1.99;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM442192;MM442192;C=CCC1CC1C#CC=O;XEOXYIAULWQNFR-UHFFFAOYSA-N;134.18;1.4;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC4_P1";;;;;;;1.37;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM442193;MM442193;CCc1cn(N)c(=NC)[nH]1;NAHNTAHXJPNXRX-UHFFFAOYSA-N;140.19;-0.38;;;;;DOPC;MDCG;27;1;"MARTINI bead: SN0_SP2";;;;;;;0.06;;-5.74;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM442194;MM442194;CC1OCC(=NN)O1;LXQDJTQNYYSHEP-UHFFFAOYSA-N;116.12;-0.35;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNa_SP2";;;;;;;-0.24;;-3.24;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM442195;MM442195;C=NN(C)C=NC(C)=O;RXYODTZZCVJFOB-UHFFFAOYSA-N;127.15;0.11;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_Na";;;;;;;-0.24;;-3.24;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM442196;MM442196;C=CCC1CC1C#CC#N;JYBNUMPYDVWOAK-UHFFFAOYSA-N;131.18;1.73;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC4_N0";;;;;;;2.5;;0.44;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM442197;MM442197;CN=c1[nH]c(CO)cn1N;DAUYFFNORXGJDK-UHFFFAOYSA-N;142.16;-1.45;;;;;DOPC;MDCG;27;1;"MARTINI bead: SP2_SP2";;;;;;;-1.34;;-7.16;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM442198;MM442198;Cn1ccc(=NN)o1;JHKXGRKSFVSBLP-UHFFFAOYSA-N;113.12;-0.61;;;;;DOPC;MDCG;27;0;"MARTINI bead: SN0_SP2";;;;;;;0.06;;-2.21;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM442199;MM442199;C=NNC=NC=C(F)F;BDMYMSKGUPFTQD-UHFFFAOYSA-N;133.1;0.96;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4_P2";;;;;;;1.09;;-0.38;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM442200;MM442200;C=CC#CC1CC1CC#N;LVPQWIKPHQIJBT-UHFFFAOYSA-N;131.18;1.73;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4_SC5";;;;;;;2.97;;0.45;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM442201;MM442201;CN=c1[nH]c(CF)cn1N;PZNVQVVEUTVTLU-UHFFFAOYSA-N;144.15;-0.47;;;;;DOPC;MDCG;27;1;"MARTINI bead: SP2_SNda";;;;;;;-0.24;;-6.27;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM442202;MM442202;C=CC1=CCC(C#CC)O1;QLJLFPRZXKOKKF-UHFFFAOYSA-N;134.18;1.87;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC5_SNa";;;;;;;1.64;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM442203;MM442203;C=C(C)C(C)C(O)CC;LBWXMVIZEYCWDQ-UHFFFAOYSA-N;128.22;1.97;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda_C1";;;;;;;2.91;;0.57;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM442204;MM442204;O=CC#CC1CC1CC=O;TVBFLEWJNDCOBD-UHFFFAOYSA-N;136.15;0.41;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNa_P1";;;;;;;0.04;;-2.54;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM442205;MM442205;CCc1cn(N)c(=NN)[nH]1;DEECOMDLDDGIDV-UHFFFAOYSA-N;141.18;-1.13;;;;;DOPC;MDCG;27;1;"MARTINI bead: SNd_SP3";;;;;;;-1.1;;-6.03;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM442206;MM442206;CC#CC1CC=C(C=O)O1;HZJRDVGJULUZBL-UHFFFAOYSA-N;136.15;0.88;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC5_SNa";;;;;;;1.64;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM442207;MM442207;C#CC1OC=C(CC)C1=C;RLAAGBKJISNSQV-UHFFFAOYSA-N;134.18;1.87;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC5_SNa";;;;;;;1.64;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM442208;MM442208;N#CCC1CC1C#CC=O;WLZMXOMPKLXNOI-UHFFFAOYSA-N;133.15;0.74;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_SC5";;;;;;;0.81;;-0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM442209;MM442209;NN=c1[nH]c(CO)cn1N;JBDKUUYZTIAFSO-UHFFFAOYSA-N;143.15;-2.2;;;;;DOPC;MDCG;27;1;"MARTINI bead: SP3_SP2";;;;;;;-2.2;;-6.56;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM442210;MM442210;CC#CC1CC=C(C#N)O1;SWRBIJIMCGIMTI-UHFFFAOYSA-N;133.15;1.21;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC5_SNa";;;;;;;1.64;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM442211;MM442211;C#CC1OC=C(CN)C1=C;QHGFSFKUWAKQFS-UHFFFAOYSA-N;135.17;0.42;;;;;DOPC;MDCG;27;1;"MARTINI bead: SP1_SNa";;;;;;;0.04;;-4.65;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM442212;MM442212;N#CC#CC1CC1CC=O;JOVOCLMWCKSDMX-UHFFFAOYSA-N;133.15;0.74;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNa_N0";;;;;;;1.17;;-1.18;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM442213;MM442213;NN=c1[nH]c(CF)cn1N;XPIXRCZCKWRZGO-UHFFFAOYSA-N;145.14;-1.23;;;;;DOPC;MDCG;27;1;"MARTINI bead: SP3_SNa";;;;;;;-1.1;;-5.7;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM442214;MM442214;C=CC1=COC(C#CC)O1;RXTYORCGNWRLGC-UHFFFAOYSA-N;136.15;1.41;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNa_SNa";;;;;;;0.87;;-2.22;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM442215;MM442215;C#CC1OC=C(CO)C1=C;HJTNUYSADMALSE-UHFFFAOYSA-N;136.15;0.45;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNda_SNa";;;;;;;0.87;;-1.99;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM442216;MM442216;N#CC#CC1CC1CC#N;GMGNSQXXWWKYPR-UHFFFAOYSA-N;130.15;1.06;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC5_N0";;;;;;;1.94;;0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM442217;MM442217;C#CC=C1CCC(=NN)O1;PJZXJZSTQYHMCV-UHFFFAOYSA-N;136.15;0.59;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNda_SN0";;;;;;;1.17;;-1.13;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM442218;MM442218;CC#CC1OC=C(C#N)O1;VCZPXTBLVPDUKX-UHFFFAOYSA-N;135.12;0.75;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNa_SNa";;;;;;;0.87;;-2.22;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM442219;MM442219;C#CC1ON=C(CC)C1=C;CGRDGUVSHDKFKX-UHFFFAOYSA-N;135.17;1.34;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC5_SNa";;;;;;;1.64;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM442220;MM442220;N#CC#CC1CC1NC=N;XYHMGIBWZHBNDI-UHFFFAOYSA-N;133.15;0.1;;;;;DOPC;MDCG;27;1;"MARTINI bead: SP1_N0";;;;;;;0.34;;-5.41;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM442221;MM442221;CCCC1=COC(=NN)C1;ZPOKTCVRDRTTSI-UHFFFAOYSA-N;140.19;1.36;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC4_SNda";;;;;;;2.2;;0.49;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM442222;MM442222;C#CC1=CCC(C#CC)C1;RSSXEQZGCQNFDZ-UHFFFAOYSA-N;130.19;1.98;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC3_SC5";;;;;;;3.34;;0.48;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM442223;MM442223;C#CC1ON=C(CN)C1=C;VSBILPJJXNSTFW-UHFFFAOYSA-N;136.15;-0.11;;;;;DOPC;MDCG;27;1;"MARTINI bead: SP1_SNa";;;;;;;0.04;;-3.89;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM442224;MM442224;N#CC#CC1CC1NC=O;SPFPKGYMJZXIEE-UHFFFAOYSA-N;134.14;-0.35;;;;;DOPC;MDCG;27;0;"MARTINI bead: P3_SN0";;;;;;;-0.8;;-2.99;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM442225;MM442225;CCc1cn(O)c(=NC)[nH]1;RSMOVGCJGSUURB-UHFFFAOYSA-N;141.17;0.15;;;;;DOPC;MDCG;27;1;"MARTINI bead: SN0_SP2";;;;;;;0.06;;-4.14;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM442226;MM442226;NN=c1ccn(N)o1;IPUVVLLHVYNFSO-UHFFFAOYSA-N;114.11;-1.43;;;;;DOPC;MDCG;27;0;"MARTINI bead: SN0_SP2";;;;;;;0.06;;-2.21;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM442227;MM442227;C#CC1ON=C(OC)C1=C;MIZKODYBINSFMW-UHFFFAOYSA-N;137.14;0.53;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNa_SNa";;;;;;;0.87;;-2.22;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM442228;MM442228;C=CC#CC1CC1NN=C;JMQOYXSXIRAUPD-UHFFFAOYSA-N;134.18;0.77;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4_SNd";;;;;;;2.2;;0.32;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM442229;MM442229;CN=c1[nH]c(CN)cn1O;IFJIXBGBJUSNMU-UHFFFAOYSA-N;142.16;-0.96;;;;;DOPC;MDCG;27;1;"MARTINI bead: SP2_SP2";;;;;;;-1.34;;-6.04;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM442230;MM442230;C#CC1=COC(C#CC)C1;DKLGYSHMQWMMQQ-UHFFFAOYSA-N;132.16;1.32;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC5_SN0";;;;;;;1.94;;0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM442231;MM442231;C#CC1CC=C(C=C)C1=C;OQNVMFBERMBXFD-UHFFFAOYSA-N;130.19;2.31;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC3_SC5";;;;;;;3.34;;0.48;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM442232;MM442232;C=NNC1CC1C#CC#N;YKPHEPZSESCABW-UHFFFAOYSA-N;133.15;0.11;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNd_N0";;;;;;;1.17;;-1.04;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM442233;MM442233;CN=c1[nH]c(CO)cn1O;SEWDGPDXIWUJSC-UHFFFAOYSA-N;143.15;-0.92;;;;;DOPC;MDCG;27;1;"MARTINI bead: SP2_SP2";;;;;;;-1.34;;-5.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM442234;MM442234;C#CC1=NOC(C#CC)C1;BOSNQMIMUSSZHJ-UHFFFAOYSA-N;133.15;0.79;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNa_SN0";;;;;;;1.17;;-1.18;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM442235;MM442235;C#CC1CC=C(C=O)C1=C;LXWUZDAWASABNR-UHFFFAOYSA-N;132.16;1.32;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC5_SC5";;;;;;;2.41;;0.64;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM442236;MM442236;C=CC#CC1CC1OC=C;OTAUCCYZWLPWBS-UHFFFAOYSA-N;134.18;1.72;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNa_C4";;;;;;;2.2;;0.34;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM442237;MM442237;CCc1cn(O)c(=NO)[nH]1;ZVKVQEVPMXEWTB-UHFFFAOYSA-N;143.15;-0.09;;;;;DOPC;MDCG;27;0;"MARTINI bead: SN0_SP3";;;;;;;-0.8;;-2.99;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM442238;MM442238;C#CC1=CCC(C#CC)O1;LIWITUMIPRIHJZ-UHFFFAOYSA-N;132.16;1.32;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC5_SNa";;;;;;;1.64;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM442239;MM442239;C#CC1CC=C(C#N)C1=C;DWMCQFQERKRUQP-UHFFFAOYSA-N;129.16;1.65;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC5_SC5";;;;;;;2.41;;0.64;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM442240;MM442240;C=COC1CC1C#CC#N;JLGMFJRFSRHCQZ-UHFFFAOYSA-N;133.15;1.06;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNa_N0";;;;;;;1.17;;-1.18;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM442241;MM442241;OCc1cn(O)c(=NO)[nH]1;TWORMSFNZWGEIY-UHFFFAOYSA-N;145.12;-1.16;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP2_SP3";;;;;;;-2.2;;-5.19;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM442242;MM442242;C#CC1=COC(C#CC)O1;AMTWNFSTIDRMMJ-UHFFFAOYSA-N;134.13;0.86;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNa_SP1";;;;;;;0.04;;-2.54;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM442243;MM442243;C#CC1NC=C(C=O)C1=C;IXMNSZCRQYSQEW-UHFFFAOYSA-N;133.15;0.23;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNd_SP1";;;;;;;0.04;;-2.63;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM442244;MM442244;N#CC#CC1CC1OC=O;OKSNQEKYYHURMZ-UHFFFAOYSA-N;135.12;0.07;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_SN0";;;;;;;0.34;;-1.53;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM442245;MM442245;CN=c1[nH]c(NC)cn1C;NDQJTNACCHWDJH-UHFFFAOYSA-N;140.19;-0.07;;;;;DOPC;MDCG;27;1;"MARTINI bead: SNd_SNd";;;;;;;0.87;;-6.51;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM442246;MM442246;CCC=C1CC=C(CC)C1;WBVYOJCXJNDEJI-UHFFFAOYSA-N;136.24;3.45;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC1_SC2";;;;;;;4.87;;0.53;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM442247;MM442247;C#CC1NC=C(C#N)C1=C;GTDOYHOMBYIFMG-UHFFFAOYSA-N;130.15;0.56;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNd_SP1";;;;;;;0.04;;-2.63;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM442248;MM442248;N#CC(=N)NNC(=N)C#N;YAVVAPXTBXEJHT-UHFFFAOYSA-N;136.12;-0.92;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_P1";;;;;;;-1.06;;-3.82;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM442249;MM442249;CNc1cn(C)c(=NN)[nH]1;YVJIRHKGSDTQSD-UHFFFAOYSA-N;141.18;-0.83;;;;;DOPC;MDCG;27;1;"MARTINI bead: SNd_SP2";;;;;;;-0.24;;-6.09;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM442250;MM442250;CCC1=CCC(=CCN)C1;HJKVRPOABNITKU-UHFFFAOYSA-N;137.23;2;;;;;DOPC;MDCG;27;1;"MARTINI bead: SC2_SNd";;;;;;;2.83;;-0.24;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM442251;MM442251;C=CC1CC1(O)C(C)C;IHBRHXVOKBZSME-UHFFFAOYSA-N;126.2;1.58;;;;;DOPC;MDCG;27;0;"MARTINI bead: C3_SNda";;;;;;;2.57;;0.44;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM442252;MM442252;C=CC#CC1NC1CC=C;USSQESKVTJLSCT-UHFFFAOYSA-N;133.19;1.09;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNd_N0";;;;;;;1.17;;-1.04;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM442253;MM442253;CN=c1[nH]c(NC)cn1N;VZPTVAJJQHULBD-UHFFFAOYSA-N;141.18;-0.9;;;;;DOPC;MDCG;27;1;"MARTINI bead: SNd_SP2";;;;;;;-0.24;;-6.94;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM442254;MM442254;CCC1=CCC(=CCO)C1;AIDVKRVLYDCQHJ-UHFFFAOYSA-N;138.21;2.04;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC2_SNda";;;;;;;2.83;;0.57;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM442255;MM442255;C=CC(C)C(O)CCC;DQJIYKPVNDFOGV-UHFFFAOYSA-N;128.22;1.97;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda_C3";;;;;;;2.57;;0.44;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM442256;MM442256;C=CCC1NC1C#CC#N;DEIZUFFGWUPRAL-UHFFFAOYSA-N;132.17;0.43;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNd_N0";;;;;;;1.17;;-1.04;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM442257;MM442257;CNc1cn(N)c(=NN)[nH]1;BFSRJLKBTPHNBY-UHFFFAOYSA-N;142.17;-1.65;;;;;DOPC;MDCG;27;1;"MARTINI bead: SNd_SP3";;;;;;;-1.1;;-6.28;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM442258;MM442258;CCC=C1CC=C(CN)C1;AVGMSABYWFHKPJ-UHFFFAOYSA-N;137.23;2;;;;;DOPC;MDCG;27;1;"MARTINI bead: SC1_SNd";;;;;;;2.91;;-0.07;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM442259;MM442259;C#CC1OC=C(C=C)C1=C;AHMXKBJUZDFKBJ-UHFFFAOYSA-N;132.16;1.64;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC5_SNa";;;;;;;1.64;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM442260;MM442260;N#CCC1NC1C#CC=O;BAJWKVSSVQBKIM-UHFFFAOYSA-N;134.14;-0.56;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_SP2";;;;;;;-1.06;;-3.82;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM442261;MM442261;CN=c1[nH]c(NC)cn1O;XPQRSWDAMOCLDL-UHFFFAOYSA-N;142.16;-0.37;;;;;DOPC;MDCG;27;1;"MARTINI bead: SNd_SP2";;;;;;;-0.24;;-5.36;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM442262;MM442262;C#CC1OC=C(C=O)C1=C;JGQCXMLBQLTXHU-UHFFFAOYSA-N;134.13;0.66;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNa_SNa";;;;;;;0.87;;-2.22;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM442263;MM442263;NCC=C1CC=C(CN)C1;ZEQZZYODNCSFET-UHFFFAOYSA-N;138.21;0.55;;;;;DOPC;MDCG;27;1;"MARTINI bead: SNd_SNd";;;;;;;0.87;;-4.65;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM442264;MM442264;CNc1cn(O)c(=NO)[nH]1;KVEIBVFEIXZGLC-UHFFFAOYSA-N;144.13;-0.61;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNd_SP3";;;;;;;-1.1;;-3.93;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM442265;MM442265;CN=C(N)C(=O)C(=O)C=O;JQGVVBRBZXRPKL-UHFFFAOYSA-N;142.11;-1.69;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_Na";;;;;;;-0.24;;-3.24;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM442266;MM442266;C#CC1OC=C(C#N)C1=C;ZZYYWBMQEOIVOH-UHFFFAOYSA-N;131.13;0.98;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNa_SN0";;;;;;;1.17;;-1.18;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM442267;MM442267;NCC1=CCC(=CCO)C1;UZMRNSHIBJPAKF-UHFFFAOYSA-N;139.2;0.58;;;;;DOPC;MDCG;27;1;"MARTINI bead: SNd_SNda";;;;;;;0.87;;-4.15;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM442268;MM442268;CN=c1[nH]c(OC)cn1C;CJVCOCKPTUVQET-UHFFFAOYSA-N;141.17;-0.11;;;;;DOPC;MDCG;27;1;"MARTINI bead: SNda_SNd";;;;;;;0.87;;-5.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM442269;MM442269;N#CC#CC1NC1CC#N;NTZFSKLOQZVKMV-UHFFFAOYSA-N;131.14;-0.23;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP2_N0";;;;;;;0.06;;-2.21;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM442270;MM442270;COc1noc(=NO)[nH]1;WDVFRYLRGJTYNY-UHFFFAOYSA-N;131.09;-0.7;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNda_SP3";;;;;;;-1.1;;-8.48;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM442271;MM442271;CC(O)C(C)C(C)(C)C;MXDGSCZQIMQLII-UHFFFAOYSA-N;130.23;2.05;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda_C3";;;;;;;2.57;;0.44;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM442272;MM442272;COc1cn(C)c(=NN)[nH]1;CICAQWLSWRJOPC-UHFFFAOYSA-N;142.16;-0.86;;;;;DOPC;MDCG;27;1;"MARTINI bead: SNda_SP2";;;;;;;-0.24;;-5.46;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM442273;MM442273;C=CC#CC1OC1CC=C;DTVZQUQWLPMNDT-UHFFFAOYSA-N;134.18;1.52;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNa_C4";;;;;;;2.2;;0.34;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM442274;MM442274;C#CC1ON=C(C=C)C1=C;KWMDLOSUTJCSIL-UHFFFAOYSA-N;133.15;1.12;;;;;DOPC;MDCG;27;0;"MARTINI bead: SN0_SNa";;;;;;;1.17;;-1.18;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM442275;MM442275;NCC=C1CC=C(CO)C1;ZNODEQHJWVOJDK-UHFFFAOYSA-N;139.2;0.58;;;;;DOPC;MDCG;27;1;"MARTINI bead: SNd_SNda";;;;;;;0.87;;-4.16;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM442276;MM442276;CN=c1[nH]c(OC)cn1N;FBPMDLSWFMIXRB-UHFFFAOYSA-N;142.16;-0.93;;;;;DOPC;MDCG;27;1;"MARTINI bead: SNa_SP2";;;;;;;-0.24;;-6.21;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM442277;MM442277;C=CCC1OC1C#CC=O;AACVIYKHWFPMSJ-UHFFFAOYSA-N;136.15;0.53;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNa_P1";;;;;;;0.04;;-2.54;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM442278;MM442278;C#CC1ON=C(C=O)C1=C;OLARFQXMMACESP-UHFFFAOYSA-N;135.12;0.13;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNa_SNa";;;;;;;0.87;;-2.22;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM442279;MM442279;CCC=C1CC=C(CF)C1;SGYUAQOMPDOLBH-UHFFFAOYSA-N;140.2;3.01;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC1_SC5";;;;;;;3.68;;0.46;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM442280;MM442280;COc1cn(N)c(=NN)[nH]1;AZTLPNRLSMFYDU-UHFFFAOYSA-N;143.15;-1.69;;;;;DOPC;MDCG;27;1;"MARTINI bead: SNda_SP3";;;;;;;-1.1;;-5.55;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM442281;MM442281;C=CCC1OC1C#CC#N;VREOXEDWQQUYFJ-UHFFFAOYSA-N;133.15;0.86;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNa_N0";;;;;;;1.17;;-1.18;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM442282;MM442282;C#CC1ON=C(C#N)C1=C;VHUQFKKOHFQDNX-UHFFFAOYSA-N;132.12;0.45;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNa_SP1";;;;;;;0.04;;-2.54;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM442283;MM442283;NCC=C1CC=C(CF)C1;AUCUASYZTCPOGB-UHFFFAOYSA-N;141.19;1.56;;;;;DOPC;MDCG;27;1;"MARTINI bead: SNd_SC5";;;;;;;1.64;;-2.14;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM442284;MM442284;CCCC1=CCC(=NN)O1;RLDLRJYFGCCJHH-UHFFFAOYSA-N;140.19;1.36;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC4_SNda";;;;;;;2.2;;0.49;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM442285;MM442285;C=CC#CC1OC1CC=O;VQFIVKQEVNRZGK-UHFFFAOYSA-N;136.15;0.53;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4_SP1";;;;;;;1.37;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM442286;MM442286;CN1C(=O)C=CC1C#N;UZQKJZFVZLDSAY-UHFFFAOYSA-N;122.13;-0.09;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP1_SP1";;;;;;;-0.79;;-8.79;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM442287;MM442287;CCC=C1CC=C(OC)C1;UQRPRXQYGDJPMG-UHFFFAOYSA-N;138.21;2.65;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC1_SC5";;;;;;;3.68;;0.46;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM442288;MM442288;CN=c1[nH]c(OC)cn1O;GWTDTQLFOYDFDZ-UHFFFAOYSA-N;143.15;-0.41;;;;;DOPC;MDCG;27;1;"MARTINI bead: SNa_SP2";;;;;;;-0.24;;-4.63;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM442289;MM442289;C=CC#CC1OC1CC#N;FLNYQLXTWVBRPF-UHFFFAOYSA-N;133.15;0.86;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4_SNa";;;;;;;2.2;;0.34;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM442290;MM442290;N#CC(N)=NCC(=O)O;FFDHJKDWXPLCEH-UHFFFAOYSA-N;127.1;-1.05;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_P1";;;;;;;-1.06;;-9.01;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM442291;MM442291;COC1=CCC(=CCN)C1;JWNQEGBLCBBSCH-UHFFFAOYSA-N;139.2;1.2;;;;;DOPC;MDCG;27;1;"MARTINI bead: SC5_SNd";;;;;;;1.64;;-2.14;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM442292;MM442292;COc1cn(O)c(=NO)[nH]1;NNGUMPHEYKNFST-UHFFFAOYSA-N;145.12;-0.65;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNa_SP3";;;;;;;-1.1;;-4.2;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM442293;MM442293;N#CCC1OC1C#CC=O;KDJZAYZKCKSYAG-UHFFFAOYSA-N;135.12;-0.13;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_SNa";;;;;;;0.04;;-2.54;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM442294;MM442294;O=c1oc(O)c(O)oc1=O;FMWCSPQXHNMESM-UHFFFAOYSA-N;146.05;-1;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP2_SP1";;;;;;;-1.06;;-9.01;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM442295;MM442295;CCN=C1CC(CC)=CN1;UGEVYXVSPVHAFX-UHFFFAOYSA-N;138.21;1.69;;;;;DOPC;MDCG;27;1;"MARTINI bead: SNd_SN0";;;;;;;1.17;;-4.12;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM442296;MM442296;Cn1nc(CO)[nH]c1=NN;RYIOZPKQVYVMFX-UHFFFAOYSA-N;143.15;-1.99;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP2_SP3";;;;;;;-2.2;;-5.19;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM442297;MM442297;N#CC#CC1OC1CC#N;NGMUEUCBPSLAEA-UHFFFAOYSA-N;132.12;0.19;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNa_N0";;;;;;;1.17;;-1.18;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM442298;MM442298;C#CC1=CCC(C#C)C1=C;ASWIAUSKOAJRRK-UHFFFAOYSA-N;128.17;1.76;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC5_SC5";;;;;;;2.41;;0.64;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM442299;MM442299;CCN=C1CC(CN)=CN1;KBKNSSYELXDUNR-UHFFFAOYSA-N;139.2;0.24;;;;;DOPC;MDCG;27;1;"MARTINI bead: SNd_SP2";;;;;;;-0.24;;-5.99;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM442300;MM442300;Oc1nnc(CF)o1;RCRPULBACMCQRA-UHFFFAOYSA-N;118.07;0.24;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP1_SP1";;;;;;;-0.79;;-8.49;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM442301;MM442301;C=CC#CC1CN1CC=C;NNLSCROJZVPOJT-UHFFFAOYSA-N;133.19;1.05;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNd_C4";;;;;;;2.2;;0.32;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM442302;MM442302;C#CC1=CCC(C#C)C1=O;DWNRYKHZMSTBEP-UHFFFAOYSA-N;130.15;0.77;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC5_SNa";;;;;;;1.64;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM442303;MM442303;CCN=C1CC(CO)=CN1;HCQWHHWIYPITPP-UHFFFAOYSA-N;140.19;0.27;;;;;DOPC;MDCG;27;1;"MARTINI bead: SNd_SP2";;;;;;;-0.24;;-5.92;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM442304;MM442304;CN=c1[nH]c(NC)nn1C;MXYLOHBGVPHASQ-UHFFFAOYSA-N;141.18;-0.68;;;;;DOPC;MDCG;27;1;"MARTINI bead: SP1_SP2";;;;;;;-1.06;;-6.89;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM442305;MM442305;C=CCN1CC1C#CC#N;LCFNSLNBOICSIK-UHFFFAOYSA-N;132.17;0.38;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNd_N0";;;;;;;1.17;;-1.04;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM442306;MM442306;C=NNC(=NCC)OC;DVIHNGUSNHWDBS-UHFFFAOYSA-N;129.16;0.21;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_P1";;;;;;;0.81;;-0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM442307;MM442307;CCN=C1CC(CF)=CN1;SEXLFLYVEURHEZ-UHFFFAOYSA-N;142.18;1.25;;;;;DOPC;MDCG;27;1;"MARTINI bead: SNd_SNa";;;;;;;0.87;;-4.57;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM442308;MM442308;CNc1nn(C)c(=NN)[nH]1;MEGSYAVAATWXON-UHFFFAOYSA-N;142.17;-1.44;;;;;DOPC;MDCG;27;1;"MARTINI bead: SP1_SP3";;;;;;;-1.93;;-7.41;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM442309;MM442309;C=CC#CC1CN1CC#N;YCDVGGRVRCLHCR-UHFFFAOYSA-N;132.17;0.38;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4_SP1";;;;;;;1.37;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM442310;MM442310;O=c1o[nH]nc1N1CC1;SGCLVODPCOOCAZ-UHFFFAOYSA-N;127.1;-0.82;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP2_SP3";;;;;;;-2.2;;-9.63;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM442311;MM442311;CCN=C1CC(OC)=CN1;UKYNQHYIIUQOOV-UHFFFAOYSA-N;140.19;0.89;;;;;DOPC;MDCG;27;1;"MARTINI bead: SNd_SP1";;;;;;;0.04;;-3.94;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM442312;MM442312;CNc1nn(C)c(=NO)[nH]1;IRYLVDNFZVXXAO-UHFFFAOYSA-N;143.15;-0.92;;;;;DOPC;MDCG;27;1;"MARTINI bead: SP1_SP3";;;;;;;-1.93;;-8.88;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM442313;MM442313;C=NN=CONC(=N)C=O;LXWFDPOOYZZSCJ-UHFFFAOYSA-N;142.12;-0.67;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda_P2";;;;;;;-0.24;;-3.31;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM442314;MM442314;C#CC1=COC(C#C)C1=C;LXMSKHLWZURHAR-UHFFFAOYSA-N;130.15;1.09;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNa_SN0";;;;;;;1.17;;-1.18;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM442315;MM442315;CCC(O)CC(C)(C)C;NPZRPUOKIPAIEL-UHFFFAOYSA-N;130.23;2.19;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda_C3";;;;;;;2.57;;0.44;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM442316;MM442316;CN=c1[nH]c(NC)nn1N;VIYWLRODSQFWAC-UHFFFAOYSA-N;142.17;-1.5;;;;;DOPC;MDCG;27;1;"MARTINI bead: SP1_SP3";;;;;;;-1.93;;-6.24;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM442317;MM442317;N#CC#CC1CN1CC#N;DUWYLDDSCLZAIM-UHFFFAOYSA-N;131.14;-0.28;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP1_N0";;;;;;;0.34;;-1.53;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM442318;MM442318;O=c1nn[nH]oc1=NO;VFFNPFXGQCAENJ-UHFFFAOYSA-N;130.06;-1.95;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP2_SP2";;;;;;;-1.34;;-9.55;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM442319;MM442319;CCCC(O)CC(C)C;QXPLZEKPCGUWEM-UHFFFAOYSA-N;130.23;2.19;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda_C3";;;;;;;2.57;;0.44;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM442320;MM442320;CNc1nn(N)c(=NN)[nH]1;BKCJTGKZKFHRMA-UHFFFAOYSA-N;143.15;-2.26;;;;;DOPC;MDCG;27;1;"MARTINI bead: SP1_SP3";;;;;;;-1.93;;-5.76;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM442321;MM442321;N#CC#CC1CN1NC=O;NVVLNOBKKCNJQY-UHFFFAOYSA-N;135.13;-1.14;;;;;DOPC;MDCG;27;0;"MARTINI bead: P4_SP2";;;;;;;-2.29;;-5.95;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM442322;MM442322;C#CC1=NOC(C#C)C1=C;JDCFPEHPYZQHQE-UHFFFAOYSA-N;131.13;0.56;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNa_SN0";;;;;;;1.17;;-1.18;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM442323;MM442323;CCC1(C)C(O)C1(C)C;KVHVKPXQRIDOLQ-UHFFFAOYSA-N;128.22;1.8;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1_SNda";;;;;;;2.91;;0.57;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM442324;MM442324;CN=c1[nH]c(NC)nn1O;MUXMGYNZOSXLMH-UHFFFAOYSA-N;143.15;-0.98;;;;;DOPC;MDCG;27;1;"MARTINI bead: SP1_SP3";;;;;;;-1.93;;-6.1;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM442325;MM442325;C#CC#CC1CC1CC=C;GRYUOGFQKXVBNQ-UHFFFAOYSA-N;130.19;1.84;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC4_C4";;;;;;;3.53;;0.53;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM442326;MM442326;N#CC(=O)NOCC(=O)O;WQAPUHUXXZUYNW-UHFFFAOYSA-N;144.09;-1.36;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_P2";;;;;;;-1.06;;-9.01;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM442327;MM442327;C=CCC(=O)OC=NN;HFGUOVHZNCMBFS-UHFFFAOYSA-N;128.13;0.01;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_N0";;;;;;;0.34;;-1.53;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM442328;MM442328;CNc1nn(O)c(=NN)[nH]1;ZYQCXPICPKRXNP-UHFFFAOYSA-N;144.14;-1.74;;;;;DOPC;MDCG;27;1;"MARTINI bead: SP1_SP3";;;;;;;-1.93;;-5.74;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM442329;MM442329;C#CC#CC1CC1CC=O;PRDRXWCIHNBQSA-UHFFFAOYSA-N;132.16;0.85;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNa_C4";;;;;;;2.2;;0.34;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM442330;MM442330;CC=C1CC=C(CC)C1C;IVXGMCUDJPPEJI-UHFFFAOYSA-N;136.24;3.31;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC1_SC3";;;;;;;4.61;;0.31;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM442331;MM442331;CCC=C1CC(CC)=CO1;VYEQGBVENZVIJT-UHFFFAOYSA-N;138.21;2.99;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC4_SC5";;;;;;;2.97;;0.45;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM442332;MM442332;C=CCC1=COC(=NN)C1;GRDLQORHPHWNPP-UHFFFAOYSA-N;138.17;1.14;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNda_SC5";;;;;;;1.64;;0.05;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM442333;MM442333;C#CC#CC1CC1CC#N;OTTXUMLLMOPVGO-UHFFFAOYSA-N;129.16;1.17;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4_SC5";;;;;;;2.97;;0.45;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM442334;MM442334;CC(=O)C1CN(C=O)C1;QKVOZBGZXVSKFE-UHFFFAOYSA-N;127.14;-0.34;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP1_SP1";;;;;;;-0.79;;-3.13;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM442335;MM442335;CCC1=COC(=CCN)C1;QUYUUFSVCOOPRC-UHFFFAOYSA-N;139.2;1.54;;;;;DOPC;MDCG;27;1;"MARTINI bead: SC5_SNda";;;;;;;1.64;;-2.05;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM442336;MM442336;C=CCC1=CCC(=NN)O1;IJRPGOPIXHUTPS-UHFFFAOYSA-N;138.17;1.14;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNda_SC5";;;;;;;1.64;;0.05;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM442337;MM442337;C#CC#CC1CC1NC=N;RYZNOHDLVAAYKF-UHFFFAOYSA-N;132.17;0.21;;;;;DOPC;MDCG;27;1;"MARTINI bead: SP1_C4";;;;;;;1.37;;-3.81;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM442338;MM442338;CC1C(CN)=CCC1=CF;ZOYHCHHHEOWRGU-UHFFFAOYSA-N;141.19;1.76;;;;;DOPC;MDCG;27;1;"MARTINI bead: SC4_SC5";;;;;;;2.97;;0.38;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM442339;MM442339;CCC=C1CC(CN)=CO1;WFRAEIRMTKLZIV-UHFFFAOYSA-N;139.2;1.54;;;;;DOPC;MDCG;27;1;"MARTINI bead: SC4_SP1";;;;;;;1.37;;-2.11;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM442340;MM442340;CC=CC1=COC(=NN)C1;BWKSGFZTOSXRJE-UHFFFAOYSA-N;138.17;1.14;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC5_SNda";;;;;;;1.64;;0.05;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM442341;MM442341;C#CC#CC1CC1NC=O;PQUDYHQCEZANOH-UHFFFAOYSA-N;133.15;-0.24;;;;;DOPC;MDCG;27;0;"MARTINI bead: P3_SC5";;;;;;;-0.33;;-2.01;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM442342;MM442342;NCC1=CCC(=CF)C1N;BQOZJIWCVLGENA-UHFFFAOYSA-N;142.18;0.46;;;;;DOPC;MDCG;27;1;"MARTINI bead: SP1_SC5";;;;;;;0.81;;-2.53;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM442343;MM442343;NCC=C1CC(CN)=CO1;XYCFMVDRKMKODO-UHFFFAOYSA-N;140.19;0.09;;;;;DOPC;MDCG;27;1;"MARTINI bead: SNda_SP1";;;;;;;0.04;;-5.18;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM442344;MM442344;CCc1cn(C)c(=NO)o1;NVSKDMZLZDEDAR-UHFFFAOYSA-N;142.16;0.47;;;;;DOPC;MDCG;27;0;"MARTINI bead: SN0_SP1";;;;;;;0.34;;-1.53;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM442345;MM442345;C#CC#CC1CC1NN=C;RPVWTSUGXDWTCF-UHFFFAOYSA-N;132.17;0.22;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNd_C4";;;;;;;2.2;;0.32;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM442346;MM442346;CC=C1CC=C(OC)C1C;ZASSAFCIZMFLAU-UHFFFAOYSA-N;138.21;2.5;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC4_SC3";;;;;;;3.9;;0.47;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM442347;MM442347;CCC=C1CC(CO)=CO1;DGYTVJOJQYTDEG-UHFFFAOYSA-N;140.18;1.58;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC4_SP1";;;;;;;1.37;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM442348;MM442348;Cn1cc(CO)oc1=NO;OJXLJMMYMMOVNG-UHFFFAOYSA-N;144.13;-0.6;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP1_SP1";;;;;;;-0.79;;-3.13;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM442349;MM442349;C#CC#CC1CC1OC=C;DFICWIUJHLGOIB-UHFFFAOYSA-N;132.16;1.17;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNa_C4";;;;;;;2.2;;0.34;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM442350;MM442350;CCC1=CN=C(NN)C1C;FGKFNMXNOSNQQU-UHFFFAOYSA-N;139.2;0.79;;;;;DOPC;MDCG;27;1;"MARTINI bead: SC4_SNd";;;;;;;2.2;;-1.37;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM442351;MM442351;NCC=C1CC(CO)=CO1;ZKIOFXKEMRFLML-UHFFFAOYSA-N;141.17;0.13;;;;;DOPC;MDCG;27;1;"MARTINI bead: SNda_SP1";;;;;;;0.04;;-4.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM442352;MM442352;Cn1cc(CF)oc1=NO;XOBBGOCLWQZJJR-UHFFFAOYSA-N;146.12;0.38;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNa_SP1";;;;;;;0.04;;-2.54;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM442353;MM442353;C#CC#CC1CC1OC=O;XUUWLBLYKHWFBB-UHFFFAOYSA-N;134.13;0.18;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_SC5";;;;;;;0.81;;-0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM442354;MM442354;C=C1C(=O)CC2(C)NC12;LEJINONRXBACNM-UHFFFAOYSA-N;123.16;0.25;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNd_SNa";;;;;;;0.87;;-1.88;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM442355;MM442355;OCC=C1CC(CO)=CO1;QJBSCGYYHVGHAT-UHFFFAOYSA-N;142.15;0.16;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNda_SP1";;;;;;;0.04;;-2.73;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM442356;MM442356;CCc1cn(N)c(=NC)o1;CQYKOZRXGIWTRV-UHFFFAOYSA-N;141.17;-0.11;;;;;DOPC;MDCG;27;0;"MARTINI bead: SN0_SP1";;;;;;;0.34;;-1.53;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM442357;MM442357;C#CC(=N)NN=CCCC;LURIWCIFBPKXJU-UHFFFAOYSA-N;137.19;0.97;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_P1";;;;;;;0.81;;-0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM442358;MM442358;CC1C(CO)=NN=C1NO;FUTKMRQDZVHZAR-UHFFFAOYSA-N;143.15;-0.64;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNda_SNda";;;;;;;0.87;;-2.07;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM442359;MM442359;CCC=C1CC(CF)=CO1;RDYXLMIHVHXWLH-UHFFFAOYSA-N;142.17;2.55;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC4_SNa";;;;;;;2.2;;0.34;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM442360;MM442360;CC=CC1=CCC(=NN)O1;VMRVUCQUHPXPPV-UHFFFAOYSA-N;138.17;1.14;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC5_SNda";;;;;;;1.64;;0.05;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM442361;MM442361;C#CC#CC1NC1CC=C;DZFGUHKTYVHGHS-UHFFFAOYSA-N;131.18;0.54;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNd_N0";;;;;;;1.17;;-1.04;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM442362;MM442362;COC1=NN=C(NO)C1C;RRYJRSCUVPHTOZ-UHFFFAOYSA-N;143.15;-0.03;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNa_SP1";;;;;;;0.04;;-2.54;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM442363;MM442363;CCC=C1CC(OC)=CO1;MODOAKLDJVULNC-UHFFFAOYSA-N;140.18;2.19;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC4_SNa";;;;;;;2.2;;0.34;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM442364;MM442364;CN=c1oc(CF)cn1N;UGRGGFKTBWLBQI-UHFFFAOYSA-N;145.14;-0.21;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP1_SNa";;;;;;;0.04;;-2.54;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM442365;MM442365;C#CC#CC1NC1CC#N;PDFOYQKBAKFAOS-UHFFFAOYSA-N;130.15;-0.12;;;;;DOPC;MDCG;27;0;"MARTINI bead: N0_SP2";;;;;;;0.06;;-2.21;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM442366;MM442366;CC=C1OC=C(CC)C1C;MFGLXAKMYHFUBI-UHFFFAOYSA-N;138.21;2.85;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC5_SC4";;;;;;;2.97;;0.45;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM442367;MM442367;CCC1=CC(=NN)CC1C;HBCSZFHDZCOUOP-UHFFFAOYSA-N;138.21;1.68;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC1_SNd";;;;;;;2.91;;0.63;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM442368;MM442368;CCN=C1CC=C(CC)N1;ZMQMMNPCLCSOPL-UHFFFAOYSA-N;138.21;1.69;;;;;DOPC;MDCG;27;1;"MARTINI bead: SN0_SC5";;;;;;;1.94;;-1.76;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM442369;MM442369;C#CC#CC1OC1CC=C;MNFKGLACZJWXTO-UHFFFAOYSA-N;132.16;0.97;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNa_C4";;;;;;;2.2;;0.34;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM442370;MM442370;CC=C1OC=C(CN)C1C;PEMKVPXJBJDFPR-UHFFFAOYSA-N;139.2;1.4;;;;;DOPC;MDCG;27;1;"MARTINI bead: SC5_SP1";;;;;;;0.81;;-2.64;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM442371;MM442371;CCN=C1CC=C(CN)N1;ZLMNGAQNNQVVQE-UHFFFAOYSA-N;139.2;0.24;;;;;DOPC;MDCG;27;1;"MARTINI bead: SNd_SP1";;;;;;;0.04;;-5.38;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM442372;MM442372;CCC12CC(=NN)OC1C2;ODQCXYMDXQERDQ-UHFFFAOYSA-N;140.19;0.85;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC3_SNda";;;;;;;2.57;;0.44;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM442373;MM442373;C#CC#CC1OC1CC#N;SWHZIYWRRJCKBV-UHFFFAOYSA-N;131.13;0.3;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4_SNa";;;;;;;2.2;;0.34;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM442374;MM442374;CC1C(CO)=COC1=CF;LHEUEHQVTLILSZ-UHFFFAOYSA-N;144.15;1.34;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP1_SC5";;;;;;;0.81;;-0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM442375;MM442375;CCN=C1CC=C(CO)N1;YOKLTJNBYQUAPY-UHFFFAOYSA-N;140.19;0.27;;;;;DOPC;MDCG;27;1;"MARTINI bead: SNd_SP1";;;;;;;0.04;;-5.2;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM442376;MM442376;CCC12CC1CC(=NN)O2;OBWCKGWWGNPJML-UHFFFAOYSA-N;140.19;0.85;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC3_SNda";;;;;;;2.57;;0.44;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM442377;MM442377;C#CC#CC1CN1CC=C;LKPWYBBETQWQQB-UHFFFAOYSA-N;131.18;0.49;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNd_C4";;;;;;;2.2;;0.32;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM442378;MM442378;CCC1=COC(=NO)C1C;CWCPCSZFCFGNCN-UHFFFAOYSA-N;141.17;1.73;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC5_SNda";;;;;;;1.64;;0.05;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM442379;MM442379;CCN=C1CC=C(CF)N1;QDAWBXCWXUWXKN-UHFFFAOYSA-N;142.18;1.25;;;;;DOPC;MDCG;27;1;"MARTINI bead: SNd_SNa";;;;;;;0.87;;-4.37;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM442380;MM442380;CCc1cn(N)c(=NO)o1;XLCZQCSZWPYMEW-UHFFFAOYSA-N;143.15;-0.35;;;;;DOPC;MDCG;27;0;"MARTINI bead: SN0_SP2";;;;;;;0.06;;-2.21;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM442381;MM442381;C#CC#CC1CN1CC#N;LBMVSFGQQZQMIR-UHFFFAOYSA-N;130.15;-0.17;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4_SP1";;;;;;;1.37;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM442382;MM442382;CCC1=CCC(=NC)N1C;MLEWZKIOBSCAMH-UHFFFAOYSA-N;138.21;1.64;;;;;DOPC;MDCG;27;1;"MARTINI bead: SC5_SNd";;;;;;;1.64;;-3.12;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM442383;MM442383;CCN=C1CC=C(OC)N1;CFKWAWOPKIPJAE-UHFFFAOYSA-N;140.19;0.89;;;;;DOPC;MDCG;27;1;"MARTINI bead: SNd_SNa";;;;;;;0.87;;-3.34;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM442384;MM442384;Nn1cc(CO)oc1=NO;KKWWAACZTVFINQ-UHFFFAOYSA-N;145.12;-1.42;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP1_SP2";;;;;;;-1.06;;-3.82;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM442385;MM442385;C#CC#CC1CN1NC=O;JPRLLNQIBIRFIZ-UHFFFAOYSA-N;134.14;-1.03;;;;;DOPC;MDCG;27;0;"MARTINI bead: P4_SP1";;;;;;;-2.01;;-5.13;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM442386;MM442386;COC1=NCC(C#N)N1;PISCMDHXRHBPOG-UHFFFAOYSA-N;125.13;-0.52;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP1_SP1";;;;;;;-0.79;;-3.13;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM442387;MM442387;CCC=C1CN=C(CC)N1;LAUKXIXSDYHASE-UHFFFAOYSA-N;138.21;1.69;;;;;DOPC;MDCG;27;1;"MARTINI bead: SNd_SN0";;;;;;;1.17;;-3.28;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM442388;MM442388;Nn1cc(CF)oc1=NO;BTEBBOOYEPTAPM-UHFFFAOYSA-N;147.11;-0.45;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNa_SP2";;;;;;;-0.24;;-3.24;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM442389;MM442389;C#CCC1CC1C#CCC;NXWNIDHFGCRVNM-UHFFFAOYSA-N;132.21;2.06;;;;;DOPC;MDCG;27;0;"MARTINI bead: C3_SC4";;;;;;;3.9;;0.47;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM442390;MM442390;CC=C1CN=C(CC)N1C;COVWSFHFDZMWHJ-UHFFFAOYSA-N;138.21;1.64;;;;;DOPC;MDCG;27;1;"MARTINI bead: SN0_SNd";;;;;;;1.17;;-3.28;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM442391;MM442391;CCC1=NC(=CCN)CN1;WDIZAGSZZZOCDU-UHFFFAOYSA-N;139.2;0.24;;;;;DOPC;MDCG;27;1;"MARTINI bead: SNd_SP2";;;;;;;-0.24;;-5.65;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM442392;MM442392;COC12CC1CC(=NN)O2;YOYXZXMIDFPBAH-UHFFFAOYSA-N;142.16;0.04;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNa_SNda";;;;;;;0.87;;-1.99;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM442393;MM442393;C#CCC1CC1C#CCN;DVCLPWOAARGYQR-UHFFFAOYSA-N;133.19;0.61;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_SC4";;;;;;;2.2;;-0.93;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM442394;MM442394;C#CC#CCCON=C;MDUBBVZGCWQVMQ-UHFFFAOYSA-N;121.14;0.65;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_C4";;;;;;;1.37;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM442395;MM442395;CCC=C1CN=C(CN)N1;TTXJVIQKOBPNIC-UHFFFAOYSA-N;139.2;0.24;;;;;DOPC;MDCG;27;1;"MARTINI bead: SNd_SP2";;;;;;;-0.24;;-4.39;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM442396;MM442396;C=CC12CC(=NN)OC1C2;PPZCCLRFVYQEOU-UHFFFAOYSA-N;138.17;0.62;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNda_SN0";;;;;;;1.17;;-1.13;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM442397;MM442397;C#CCC1CC1C#CCO;KMBULHUGTARGLC-UHFFFAOYSA-N;134.18;0.64;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_SC4";;;;;;;1.09;;-0.38;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM442398;MM442398;COC1=NCC(=CF)N1C;DRYUQCHRIVBNRX-UHFFFAOYSA-N;144.15;0.75;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNda_SNa";;;;;;;0.87;;-1.99;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM442399;MM442399;NCC=C1CN=C(CN)N1;HVVLYDJMIISCSG-UHFFFAOYSA-N;140.19;-1.21;;;;;DOPC;MDCG;27;1;"MARTINI bead: SP2_SP2";;;;;;;-1.34;;-5.86;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM442400;MM442400;C=CC12CC1CC(=NN)O2;MDVGNGCSCHQAKK-UHFFFAOYSA-N;138.17;0.62;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNda_SN0";;;;;;;1.17;;-1.13;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM442401;MM442401;C#CCC1NC1C#CCC;XZDKYGINHUAWCM-UHFFFAOYSA-N;133.19;0.76;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_SP1";;;;;;;0.81;;-0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM442402;MM442402;CCc1c[nH]c(=NC)n1C;SZNUEHCMVFZPQP-UHFFFAOYSA-N;139.2;0.45;;;;;DOPC;MDCG;27;1;"MARTINI bead: SN0_SNd";;;;;;;1.17;;-5.23;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM442403;MM442403;NCC=C1CN=C(CO)N1;HOBYIESEAHEBLZ-UHFFFAOYSA-N;141.17;-1.18;;;;;DOPC;MDCG;27;1;"MARTINI bead: SP2_SP1";;;;;;;-1.06;;-5.22;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM442404;MM442404;C#CC12CC(=NN)OC1C2;DMDKTLPLCRQXOI-UHFFFAOYSA-N;136.15;0.07;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNda_SN0";;;;;;;1.17;;-1.13;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM442405;MM442405;C#CCC1NC1C#CCF;DFZYQDQRWCMBLZ-UHFFFAOYSA-N;137.16;0.32;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_SP1";;;;;;;0.04;;-2.54;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM442406;MM442406;CN=c1[nH]cc(CN)n1C;KHXFTRMXKHRQSI-UHFFFAOYSA-N;140.19;-0.66;;;;;DOPC;MDCG;27;1;"MARTINI bead: SP1_SP2";;;;;;;-1.06;;-7.72;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM442407;MM442407;CCC=C1CN=C(CF)N1;SXILXZVYHTYEFH-UHFFFAOYSA-N;142.18;1.25;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNd_SNa";;;;;;;0.87;;-1.88;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM442408;MM442408;C#CC12CC1CC(=NN)O2;UUFSSFKUXOHPKR-UHFFFAOYSA-N;136.15;0.07;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNda_SN0";;;;;;;1.17;;-1.13;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM442409;MM442409;C#CCC1OC1C#CCN;CHOLBJIJTRGZQB-UHFFFAOYSA-N;135.17;-0.26;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_SNa";;;;;;;0.87;;-3.28;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM442410;MM442410;CN=c1[nH]cc(CO)n1C;ZZIKIMYTHGNRSY-UHFFFAOYSA-N;141.17;-0.62;;;;;DOPC;MDCG;27;1;"MARTINI bead: SP1_SP2";;;;;;;-1.06;;-7.25;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM442411;MM442411;NCC=C1CN=C(CF)N1;RSLMEEMXYLPWFZ-UHFFFAOYSA-N;143.17;-0.2;;;;;DOPC;MDCG;27;1;"MARTINI bead: SP2_SNa";;;;;;;-0.24;;-4.54;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM442412;MM442412;COC(=NN)C1CC(C)C1;SHBNDQJEXYECKF-UHFFFAOYSA-N;142.2;0.95;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNda_SC4";;;;;;;2.2;;0.49;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM442413;MM442413;C#CCC1OC1C#CCO;VTKOEYWPLKDOLX-UHFFFAOYSA-N;136.15;-0.23;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_SNa";;;;;;;-0.24;;-3.24;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM442414;MM442414;CN=c1[nH]cc(CF)n1C;PGLFUCWGDMFRQX-UHFFFAOYSA-N;143.17;0.35;;;;;DOPC;MDCG;27;1;"MARTINI bead: SP1_SNda";;;;;;;0.04;;-6.29;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM442415;MM442415;CCC=C1CN=C(NC)N1;YVKLYQGPEYAHEC-UHFFFAOYSA-N;139.2;0.46;;;;;DOPC;MDCG;27;1;"MARTINI bead: SN0_SP1";;;;;;;0.34;;-5.43;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM442416;MM442416;CCc1cn(O)c(=NO)o1;HYVMGQUBCWLEJF-UHFFFAOYSA-N;144.13;0.17;;;;;DOPC;MDCG;27;0;"MARTINI bead: SN0_SP2";;;;;;;0.06;;-2.21;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM442417;MM442417;C#CCC1CC1C#CC=C;MXBYZJPYTVNUCC-UHFFFAOYSA-N;130.19;1.84;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4_SC4";;;;;;;3.53;;0.53;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM442418;MM442418;CCc1c[nH]c(=NN)n1C;HVPYFJQXURJWSZ-UHFFFAOYSA-N;140.19;-0.31;;;;;DOPC;MDCG;27;1;"MARTINI bead: SN0_SP2";;;;;;;0.06;;-4.91;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM442419;MM442419;CNC1=NCC(=CCN)N1;AYKMKVOFOUJOGD-UHFFFAOYSA-N;140.19;-0.99;;;;;DOPC;MDCG;27;1;"MARTINI bead: SP1_SP2";;;;;;;-1.06;;-7.58;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM442420;MM442420;COC(=NN)C1CC(F)C1;MCZLGIXHXKNPQB-UHFFFAOYSA-N;146.17;0.65;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNda_SC5";;;;;;;1.64;;0.05;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM442421;MM442421;C#CCC1CC1C#CC=O;GQJWMMFSMWNRQR-UHFFFAOYSA-N;132.16;0.85;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_SC4";;;;;;;1.37;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM442422;MM442422;Cn1c(CO)c[nH]c1=NN;YQMQSVVRQXFYNL-UHFFFAOYSA-N;142.16;-1.38;;;;;DOPC;MDCG;27;1;"MARTINI bead: SP2_SP2";;;;;;;-1.34;;-6.29;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM442423;MM442423;CCC=C1CN=C(NN)N1;OFRBDZBUONWAJO-UHFFFAOYSA-N;140.19;-0.3;;;;;DOPC;MDCG;27;1;"MARTINI bead: SNd_SP2";;;;;;;-0.24;;-6.33;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM442424;MM442424;CNc1cn(C)c(=NO)o1;IEXNSYFXKZMQCA-UHFFFAOYSA-N;143.15;-0.05;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNd_SP1";;;;;;;0.04;;-2.63;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM442425;MM442425;Cn1c(CF)c[nH]c1=NN;VVYGLZNRSVEVTJ-UHFFFAOYSA-N;144.15;-0.4;;;;;DOPC;MDCG;27;1;"MARTINI bead: SNda_SP2";;;;;;;-0.24;;-5.41;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM442426;MM442426;C#CCC1CC1C#CC#N;XPCQZCUGAILPKB-UHFFFAOYSA-N;129.16;1.17;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC4_N0";;;;;;;2.5;;0.44;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM442427;MM442427;CCC=C1CN=C(NO)N1;FPWKQXIULPGNCN-UHFFFAOYSA-N;141.17;0.22;;;;;DOPC;MDCG;27;1;"MARTINI bead: SNd_SP2";;;;;;;-0.24;;-4.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM442428;MM442428;CN=c1oc(NC)cn1N;QKFMJFPGFCXNKU-UHFFFAOYSA-N;142.16;-0.63;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNd_SP1";;;;;;;0.04;;-2.63;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM442429;MM442429;CC=NN=CNC1CC1;RUCYRECXKJRTNF-UHFFFAOYSA-N;125.18;0.77;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_SP1";;;;;;;0.81;;-0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM442430;MM442430;C#CCC1NC1C#CC=C;DVKZRROBPCWJGC-UHFFFAOYSA-N;131.18;0.54;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4_SP1";;;;;;;1.37;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM442431;MM442431;CCC=C1CN=C(OC)N1;JADUQORQZYCWQU-UHFFFAOYSA-N;140.19;0.89;;;;;DOPC;MDCG;27;0;"MARTINI bead: SN0_SP1";;;;;;;0.34;;-1.53;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM442432;MM442432;CCC12CC(C1)C(=NN)O2;WZYBCMYPRUAQQY-UHFFFAOYSA-N;140.19;0.85;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC2_SNda";;;;;;;2.83;;0.57;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM442433;MM442433;CCc1c[nH]c(=NC)n1N;ZGVKSDAMLVYHPH-UHFFFAOYSA-N;140.19;-0.38;;;;;DOPC;MDCG;27;1;"MARTINI bead: SN0_SP2";;;;;;;0.06;;-5.75;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM442434;MM442434;C#CCC1NC1C#CC#N;RCAUYHDEMHSMID-UHFFFAOYSA-N;130.15;-0.12;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP1_N0";;;;;;;0.34;;-1.53;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM442435;MM442435;COC1=NCC(=CCN)N1;CJMAFAJIAJDZCH-UHFFFAOYSA-N;141.17;-0.57;;;;;DOPC;MDCG;27;1;"MARTINI bead: SP1_SP2";;;;;;;-1.06;;-5.13;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM442436;MM442436;CNc1cn(N)c(=NO)o1;HOHLGRQGRYZYOC-UHFFFAOYSA-N;144.13;-0.87;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNd_SP2";;;;;;;-0.24;;-3.16;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM442437;MM442437;CN=c1[nH]cc(CO)n1N;VYPPIAQYMCMULA-UHFFFAOYSA-N;142.16;-1.45;;;;;DOPC;MDCG;27;1;"MARTINI bead: SP1_SP2";;;;;;;-1.06;;-6.7;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM442438;MM442438;C#CCC1OC1C#CC=O;ZAABGYSABGOEJB-UHFFFAOYSA-N;134.13;-0.02;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_SNa";;;;;;;0.04;;-2.54;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM442439;MM442439;C=COC(=O)OC=NN;NJPDVRQWMMKCOW-UHFFFAOYSA-N;130.1;0.19;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_N0";;;;;;;0.34;;-1.53;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM442440;MM442440;COC12CC(C1)C(=NN)O2;JMSHEVHAOISZOY-UHFFFAOYSA-N;142.16;0.04;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNa_SNda";;;;;;;0.87;;-1.99;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM442441;MM442441;CN=c1[nH]cc(CF)n1N;IJDUCJWZMZZPDM-UHFFFAOYSA-N;144.15;-0.47;;;;;DOPC;MDCG;27;1;"MARTINI bead: SP1_SP1";;;;;;;-0.79;;-6.16;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM442442;MM442442;C#CCC1OC1C#CC#N;UDVATDRTOXMCNF-UHFFFAOYSA-N;131.13;0.3;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNa_N0";;;;;;;1.17;;-1.18;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM442443;MM442443;C=C(C#CC)OC=NN;WUFPFSCVXYWMHL-UHFFFAOYSA-N;124.14;0.44;;;;;DOPC;MDCG;27;0;"MARTINI bead: N0_Nda";;;;;;;1.17;;-1.13;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM442444;MM442444;C=CC12CC(C1)C(=NN)O2;BOQDHBURORTRFM-UHFFFAOYSA-N;138.17;0.62;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNda_SC4";;;;;;;2.2;;0.49;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM442445;MM442445;CCc1c[nH]c(=NN)n1N;XTJNLGFXHQVANB-UHFFFAOYSA-N;141.18;-1.13;;;;;DOPC;MDCG;27;1;"MARTINI bead: SNd_SP2";;;;;;;-0.24;;-5.28;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM442446;MM442446;C#CCN1CC1C#CC=C;CEEUKYWCFDWWON-UHFFFAOYSA-N;131.18;0.49;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4_SNd";;;;;;;2.2;;0.32;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM442447;MM442447;CCN=C1CN=C(NC)N1;WQMBBNIBVNVWQC-UHFFFAOYSA-N;140.19;-0.42;;;;;DOPC;MDCG;27;1;"MARTINI bead: SNd_SP1";;;;;;;0.04;;-5.16;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM442448;MM442448;CNc1cn(O)c(=NO)o1;SQTLFNXXKLKJLG-UHFFFAOYSA-N;145.12;-0.35;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNd_SP2";;;;;;;-0.24;;-3.16;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM442449;MM442449;NN=c1[nH]cc(CO)n1N;WFQFHAFQVXUHTD-UHFFFAOYSA-N;143.15;-2.2;;;;;DOPC;MDCG;27;1;"MARTINI bead: SP2_SP2";;;;;;;-1.34;;-5.72;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM442450;MM442450;C#CCN1CC1C#CC#N;PJQSDPMMLMXWGQ-UHFFFAOYSA-N;130.15;-0.17;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNd_N0";;;;;;;1.17;;-1.04;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM442451;MM442451;CCN=C1CN=C(NN)N1;WNIRVSNRYIDOIT-UHFFFAOYSA-N;141.18;-1.17;;;;;DOPC;MDCG;27;1;"MARTINI bead: SNd_SP2";;;;;;;-0.24;;-4.95;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM442452;MM442452;C#CC12CC(C1)C(=NN)O2;KJDDTJQNVUSEQK-UHFFFAOYSA-N;136.15;0.07;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNda_SC5";;;;;;;1.64;;0.05;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM442453;MM442453;NN=c1[nH]cc(CF)n1N;GGLMKKSZSJDMSZ-UHFFFAOYSA-N;145.14;-1.23;;;;;DOPC;MDCG;27;1;"MARTINI bead: SP2_SP1";;;;;;;-1.06;;-5.36;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM442454;MM442454;C#CC#CC1CC1CC#C;UFNGYYGJJTYSHO-UHFFFAOYSA-N;128.17;1.28;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC4_C4";;;;;;;3.53;;0.53;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM442455;MM442455;CC#CC(=O)OC=NN;PCQOWDCCUCBVBB-UHFFFAOYSA-N;126.12;-0.55;;;;;DOPC;MDCG;27;0;"MARTINI bead: N0_P1";;;;;;;0.34;;-1.53;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM442456;MM442456;COc1cn(C)c(=NO)o1;BECVFWRNTFHBMX-UHFFFAOYSA-N;144.13;-0.08;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNa_SP1";;;;;;;0.04;;-2.54;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM442457;MM442457;CCCCC(C)C(C)(C)O;PQSMEVPHTJECDZ-UHFFFAOYSA-N;144.26;2.58;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1_C5";;;;;;;3.68;;0.46;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM442458;MM442458;C#CC#CC1NC1CC#C;LPUMKOYYOUFMKH-UHFFFAOYSA-N;129.16;-0.01;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP1_N0";;;;;;;0.34;;-1.53;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM442459;MM442459;CCC=C1CC=C(CC)O1;OZELBIVUDBZHQX-UHFFFAOYSA-N;138.21;2.99;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC4_SC5";;;;;;;2.97;;0.45;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM442460;MM442460;CN=c1oc(OC)cn1N;DUNRICLGPRSAFQ-UHFFFAOYSA-N;143.15;-0.67;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNa_SP1";;;;;;;0.04;;-2.54;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM442461;MM442461;CC(CCCF)C(C)(C)O;ZPJOEOMBHIRDGU-UHFFFAOYSA-N;148.22;2.14;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1_Nda";;;;;;;2.91;;0.57;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM442462;MM442462;C#CC#CC1OC1CC#C;SEONGCAFTVIHGW-UHFFFAOYSA-N;130.15;0.41;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNa_C4";;;;;;;2.2;;0.34;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM442463;MM442463;CCC=C1CC=C(CN)O1;JWGWLFFDCLFNST-UHFFFAOYSA-N;139.2;1.54;;;;;DOPC;MDCG;27;1;"MARTINI bead: SC4_SP2";;;;;;;1.09;;-1.77;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM442464;MM442464;CC=C1CCC(=NN)OC1;HATIXFVFMRMOHB-UHFFFAOYSA-N;140.19;1.02;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC5_SNda";;;;;;;1.64;;0.05;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM442465;MM442465;CCc1c[nH]c(=NC)n1O;NKYBNTAQXXHUOU-UHFFFAOYSA-N;141.17;0.15;;;;;DOPC;MDCG;27;1;"MARTINI bead: SNda_SP1";;;;;;;0.04;;-4.68;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM442466;MM442466;C#CC#CC1CN1CC#C;ARJGSHYUNGRHGI-UHFFFAOYSA-N;129.16;-0.06;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNd_C4";;;;;;;2.2;;0.32;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM442467;MM442467;CCC=C1CC=C(CO)O1;ZFMIRKGKPQTJDB-UHFFFAOYSA-N;140.18;1.58;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC4_SP1";;;;;;;1.37;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM442468;MM442468;COc1cn(N)c(=NO)o1;CFFODJUOVQXUKS-UHFFFAOYSA-N;145.12;-0.91;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNa_SP2";;;;;;;-0.24;;-3.24;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM442469;MM442469;CN=c1[nH]cc(CN)n1O;RANFIXSMYYYCFK-UHFFFAOYSA-N;142.16;-0.96;;;;;DOPC;MDCG;27;1;"MARTINI bead: SP1_SP2";;;;;;;-1.06;;-5.58;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM442470;MM442470;CC=CC1CC1C#CCC;DOSQWAPUGVHNTG-UHFFFAOYSA-N;134.22;2.61;;;;;DOPC;MDCG;27;0;"MARTINI bead: C3_SC3";;;;;;;4.27;;0.2;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM442471;MM442471;CCC=C1CC=C(CF)O1;XFAVWCWRUYEVOS-UHFFFAOYSA-N;142.17;2.55;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC4_SNa";;;;;;;2.2;;0.34;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM442472;MM442472;NN=C1CCC(=CF)CO1;DEONQNSZRQGANI-UHFFFAOYSA-N;144.15;0.92;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNda_SNa";;;;;;;0.87;;-1.99;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM442473;MM442473;CN=c1[nH]cc(CO)n1O;IJFPDWIWVYYWGW-UHFFFAOYSA-N;143.15;-0.92;;;;;DOPC;MDCG;27;1;"MARTINI bead: SP1_SP2";;;;;;;-1.06;;-5.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM442474;MM442474;CC=CC1CC1C#CCN;XFXHGNVWICKRIV-UHFFFAOYSA-N;135.21;1.16;;;;;DOPC;MDCG;27;1;"MARTINI bead: SC3_Nd";;;;;;;2.57;;-0.26;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM442475;MM442475;CN(N)C(=O)OC=NN;TTZIMFIUUIVTEO-UHFFFAOYSA-N;132.12;-1.17;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_P1";;;;;;;-0.79;;-3.13;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM442476;MM442476;NN=C1CCC(=NN)OC1;AIWFWKBMFSIXEZ-UHFFFAOYSA-N;142.16;-0.62;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNd_SNda";;;;;;;0.87;;-1.92;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM442477;MM442477;CCc1c[nH]c(=NO)n1O;NRRNMSLOCQVKMP-UHFFFAOYSA-N;143.15;-0.09;;;;;DOPC;MDCG;27;0;"MARTINI bead: SN0_SP3";;;;;;;-0.8;;-2.99;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM442478;MM442478;CC=CC1CC1C#CCF;SNJYMIUWKNYVIB-UHFFFAOYSA-N;138.19;2.17;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC3_Na";;;;;;;2.57;;0.45;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM442479;MM442479;CNN=c1occ(CN)o1;VWYPVZVNBYLYCK-UHFFFAOYSA-N;143.15;-0.63;;;;;DOPC;MDCG;27;1;"MARTINI bead: P2_SP2";;;;;;;-1.34;;-5.66;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM442480;MM442480;CCc1nn(C)c(=NC)o1;YRFNQBOMTIZPAP-UHFFFAOYSA-N;141.17;0.11;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNa_SP2";;;;;;;-0.24;;-3.24;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM442481;MM442481;OCc1c[nH]c(=NO)n1O;YYDSGNBDHGIWPS-UHFFFAOYSA-N;145.12;-1.16;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP2_SP3";;;;;;;-2.2;;-5.19;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM442482;MM442482;CCC#CC1CC1C=CF;OBPQOGOIVAQIDK-UHFFFAOYSA-N;138.19;2.52;;;;;DOPC;MDCG;27;0;"MARTINI bead: C3_SC5";;;;;;;3.34;;0.48;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM442483;MM442483;CNN=c1occ(CO)o1;RWPIOJNLLPKYQZ-UHFFFAOYSA-N;144.13;-0.6;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_SP2";;;;;;;-1.34;;-4.31;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM442484;MM442484;CCC1C=CC(=NN)OC1;NFSWGHPKJCUXJX-UHFFFAOYSA-N;140.19;0.87;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC5_SNda";;;;;;;1.64;;0.05;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM442485;MM442485;ON=c1[nH]cc(CF)n1O;KXUGHYFIVRINFM-UHFFFAOYSA-N;147.11;-0.19;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP3_SP1";;;;;;;-1.93;;-4.72;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM442486;MM442486;CCC#CC1CC1C=NN;KGJFNVWPNNQGSH-UHFFFAOYSA-N;136.2;0.98;;;;;DOPC;MDCG;27;0;"MARTINI bead: C3_SNd";;;;;;;2.57;;0.53;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM442487;MM442487;CCc1coc(=NOC)o1;OJAJPSFZXIFCGT-UHFFFAOYSA-N;143.14;0.9;;;;;DOPC;MDCG;27;0;"MARTINI bead: SN0_P3";;;;;;;-0.8;;-2.99;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM442488;MM442488;CN=c1oc(CF)nn1C;GWKOWRFXNXEFAC-UHFFFAOYSA-N;145.14;0.01;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP2_SP1";;;;;;;-1.06;;-3.82;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM442489;MM442489;CN=c1[nH]cc(NC)n1C;XPAVTEBKDSGGPN-UHFFFAOYSA-N;140.19;-0.07;;;;;DOPC;MDCG;27;1;"MARTINI bead: SNd_SP1";;;;;;;0.04;;-6.98;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM442490;MM442490;C=NNC(C#N)CON=C;CPOFMMPMFAKYFC-UHFFFAOYSA-N;140.15;-0.28;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_Na";;;;;;;0.04;;-2.54;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM442491;MM442491;CON=c1occ(CN)o1;PIGDLZMBMYEDBJ-UHFFFAOYSA-N;144.13;-0.21;;;;;DOPC;MDCG;27;1;"MARTINI bead: P3_SP2";;;;;;;-2.2;;-6.53;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM442492;MM442492;CC=C1C=CC(=NN)OC1;SGGOUXUBJPJWBO-UHFFFAOYSA-N;138.17;0.79;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC5_SNda";;;;;;;1.64;;0.05;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM442493;MM442493;CNc1c[nH]c(=NN)n1C;HBNBEALJFIBPDZ-UHFFFAOYSA-N;141.18;-0.83;;;;;DOPC;MDCG;27;1;"MARTINI bead: SNd_SP2";;;;;;;-0.24;;-6.08;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM442494;MM442494;CCC#CC1CC1C=NO;BEHKUGITHQVILM-UHFFFAOYSA-N;137.18;1.5;;;;;DOPC;MDCG;27;0;"MARTINI bead: C3_SNda";;;;;;;2.57;;0.44;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM442495;MM442495;CC(=O)CC1C(C)N1C;YGLZFGUPAIVQOP-UHFFFAOYSA-N;127.19;0.67;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNd_P1";;;;;;;0.04;;-2.63;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM442496;MM442496;NN=C1C=CC(=CF)CO1;VJSNVAMRGOLTQC-UHFFFAOYSA-N;142.13;0.7;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNda_SNa";;;;;;;0.87;;-1.99;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM442497;MM442497;CN=c1[nH]cc(NC)n1N;WLEILLHYBXHJRA-UHFFFAOYSA-N;141.18;-0.9;;;;;DOPC;MDCG;27;1;"MARTINI bead: SP1_SP1";;;;;;;-0.79;;-7.02;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM442498;MM442498;NCC#CC1CC1C=NO;FGPCILPVWRUPII-UHFFFAOYSA-N;138.17;0.04;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_SNda";;;;;;;0.87;;-3.32;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM442499;MM442499;CNc1coc(=NOC)o1;JMOYBCRJAWADGW-UHFFFAOYSA-N;144.13;0.38;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP2_P3";;;;;;;-2.2;;-5.19;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM442500;MM442500;CCC1=COC(=NN)CC1;UQIJKTCTYNOHGC-UHFFFAOYSA-N;140.19;1.36;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC5_SNda";;;;;;;1.64;;0.05;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM442501;MM442501;CNc1c[nH]c(=NN)n1N;JTFBDBKWHBVMGT-UHFFFAOYSA-N;142.17;-1.65;;;;;DOPC;MDCG;27;1;"MARTINI bead: SP1_SP2";;;;;;;-1.06;;-6.27;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM442502;MM442502;CN=CN1CC1C#CCN;ZIHXYNWLKFIQNB-UHFFFAOYSA-N;137.19;-0.71;;;;;DOPC;MDCG;27;1;"MARTINI bead: SP1_Nd";;;;;;;0.04;;-3.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM442503;MM442503;CCC=NOC(C)=NN;YNLUVFTYKXGQQZ-UHFFFAOYSA-N;129.16;0.69;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_Nd";;;;;;;0.87;;-1.88;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM442504;MM442504;CCc1nn(C)c(=NO)o1;JTEMPUKUZYFIMA-UHFFFAOYSA-N;143.15;-0.13;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNa_SP2";;;;;;;-0.24;;-3.24;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM442505;MM442505;CN=c1[nH]cc(NC)n1O;URVXRHHKHGMFJT-UHFFFAOYSA-N;142.16;-0.37;;;;;DOPC;MDCG;27;1;"MARTINI bead: SP2_SP1";;;;;;;-1.06;;-6.15;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM442506;MM442506;C#CCC1=NNC(C#N)C1;UBCUBTJPBZJKMK-UHFFFAOYSA-N;133.15;0.25;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP1_SP1";;;;;;;-0.79;;-3.13;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM442507;MM442507;CON=c1occ(OC)o1;CZKLDRJQDGDIAH-UHFFFAOYSA-N;145.11;0.34;;;;;DOPC;MDCG;27;0;"MARTINI bead: P3_SP2";;;;;;;-2.2;;-5.19;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM442508;MM442508;NN=C1CCC(CF)=CO1;DSWKTHVUQKPNMU-UHFFFAOYSA-N;144.15;0.92;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNda_SNa";;;;;;;0.87;;-1.99;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM442509;MM442509;CNc1c[nH]c(=NO)n1O;NFAITJDRLKIQSA-UHFFFAOYSA-N;144.13;-0.61;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP2_SP3";;;;;;;-2.2;;-5.19;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM442510;MM442510;CCC#CC1CN1C=NO;JPOPOAAXHVPHBE-UHFFFAOYSA-N;138.17;0.5;;;;;DOPC;MDCG;27;0;"MARTINI bead: C3_SP2";;;;;;;1.46;;-0.15;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM442511;MM442511;C=CC=NOC(C)=NN;UHJUVRVHHGOSKW-UHFFFAOYSA-N;127.15;0.47;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nd_Na";;;;;;;0.87;;-1.88;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM442512;MM442512;Cn1nc(CO)oc1=NO;IXFSBWGCEYSZGM-UHFFFAOYSA-N;145.12;-1.2;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP2_SP2";;;;;;;-1.34;;-4.31;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM442513;MM442513;CN=c1[nH]cc(OC)n1C;ZMYIIVKXDWICRC-UHFFFAOYSA-N;141.17;-0.11;;;;;DOPC;MDCG;27;1;"MARTINI bead: SNda_SP1";;;;;;;0.04;;-6.28;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM442514;MM442514;CC=NN1CC1C#CCC;LKVNCEFLGYTUCE-UHFFFAOYSA-N;136.2;1.09;;;;;DOPC;MDCG;27;0;"MARTINI bead: C3_SP1";;;;;;;1.74;;0.29;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM442515;MM442515;CNN=c1onc(CO)o1;PUFHFTIWOWIVMM-UHFFFAOYSA-N;145.12;-1.21;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_SP3";;;;;;;-2.2;;-5.19;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM442516;MM442516;CCc1nn(N)c(=NC)o1;GNHGDDUSGHEHIQ-UHFFFAOYSA-N;142.16;-0.72;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNa_SP2";;;;;;;-0.24;;-3.24;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM442517;MM442517;COc1c[nH]c(=NN)n1C;IOLUPPLWIWDEOQ-UHFFFAOYSA-N;142.16;-0.86;;;;;DOPC;MDCG;27;1;"MARTINI bead: SNda_SP2";;;;;;;-0.24;;-5.45;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM442518;MM442518;CC=NN1CC1C#CCN;XNRDRSTZMTUKBW-UHFFFAOYSA-N;137.19;-0.36;;;;;DOPC;MDCG;27;1;"MARTINI bead: SP1_Nd";;;;;;;0.04;;-4.07;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM442519;MM442519;CCc1noc(=NOC)o1;CLZZOPAGOPCOEY-UHFFFAOYSA-N;144.13;0.29;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP1_P3";;;;;;;-1.93;;-4.72;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM442520;MM442520;COC1=COC(=NN)CC1;MHRBNQNUEPTBFC-UHFFFAOYSA-N;142.16;0.56;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNa_SNda";;;;;;;0.87;;-1.99;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM442521;MM442521;CN=c1[nH]cc(OC)n1N;VHQIXMJTLZQMBF-UHFFFAOYSA-N;142.16;-0.93;;;;;DOPC;MDCG;27;1;"MARTINI bead: SP2_SP1";;;;;;;-1.06;;-6.92;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM442522;MM442522;CNc1onnc(=N)c1C;KOXJREGOTNHRJQ-UHFFFAOYSA-N;140.15;-0.1;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP1_SP2";;;;;;;-1.06;;-3.82;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM442523;MM442523;CCC(C(C)C)C(C)O;PFRFNYYIOSQSDD-UHFFFAOYSA-N;130.23;2.05;;;;;DOPC;MDCG;27;0;"MARTINI bead: C3_C5";;;;;;;3.34;;0.48;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM442524;MM442524;CN=c1oc(CF)nn1N;ZVJHUFOQGMFEER-UHFFFAOYSA-N;146.13;-0.81;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP2_SP1";;;;;;;-1.06;;-3.82;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM442525;MM442525;COc1c[nH]c(=NN)n1N;SMDWSLVVHJZFSY-UHFFFAOYSA-N;143.15;-1.69;;;;;DOPC;MDCG;27;1;"MARTINI bead: SP2_SP2";;;;;;;-1.34;;-6.03;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM442526;MM442526;CC=NN1CC1C#CCF;WHLWGCSYGBIZPV-UHFFFAOYSA-N;140.16;0.65;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP1_Na";;;;;;;0.04;;-2.54;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM442527;MM442527;C=C1CC(O)C(C)C1C;WSKJLWFUEODZIT-UHFFFAOYSA-N;126.2;1.58;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNda_SC2";;;;;;;2.83;;0.57;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM442528;MM442528;CCC1=CCC(=NN)OC1;OGHLTPFBFHZJKL-UHFFFAOYSA-N;140.19;1.02;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC5_SNda";;;;;;;1.64;;0.05;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM442529;MM442529;C=CC#CC(=O)CN(C)C;XWSXGPSFDGDJQL-UHFFFAOYSA-N;137.18;0.31;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_N0";;;;;;;0.34;;-1.53;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM442530;MM442530;CC=CC1CC1C#CC=O;YGZCERGPJXIWJO-UHFFFAOYSA-N;134.18;1.4;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC3_P1";;;;;;;1.74;;0.29;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM442531;MM442531;CNN=c1onc(OC)o1;PYRDSZKAHOVAJF-UHFFFAOYSA-N;145.12;-0.69;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_SP2";;;;;;;-1.34;;-4.31;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM442532;MM442532;C=CC1=COC(=NN)CC1;SPUNIDJXSBNBBE-UHFFFAOYSA-N;138.17;1.14;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNda_SC5";;;;;;;1.64;;0.05;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM442533;MM442533;COc1c[nH]c(=NO)n1O;OOWRVZOSONOECL-UHFFFAOYSA-N;145.12;-0.65;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP1_SP3";;;;;;;-1.93;;-4.72;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM442534;MM442534;CC=CC1CC1C#CC#N;FGIUJVGDDFLLTI-UHFFFAOYSA-N;131.18;1.73;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC3_N0";;;;;;;2.87;;0.37;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM442535;MM442535;C=CC=C1CC=C(CC)C1;PWLPVTGVMOIRTP-UHFFFAOYSA-N;134.22;3.23;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC2_SC4";;;;;;;4.16;;0.44;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM442536;MM442536;C=CC1=CCC(=NN)OC1;KZGNILBDZKXYHO-UHFFFAOYSA-N;138.17;0.79;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNda_SC5";;;;;;;1.64;;0.05;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM442537;MM442537;N#CCc1n[nH]nnc1=N;MQGOWKYAQCTPRO-UHFFFAOYSA-N;136.12;-1.25;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP2_SP3";;;;;;;-2.2;;-9.63;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM442538;MM442538;C=CC#CC1CC1C=CF;YXJKEHCGQJIZED-UHFFFAOYSA-N;136.17;2.3;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4_SC4";;;;;;;3.53;;0.53;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM442539;MM442539;CCC1=CCC(=CC=O)C1;BNVNOBQVDUHDMR-UHFFFAOYSA-N;136.19;2.24;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC2_SNa";;;;;;;2.83;;0.35;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM442540;MM442540;CCc1nn(N)c(=NO)o1;NLYJYWCFFZVHKQ-UHFFFAOYSA-N;144.13;-0.96;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNa_SP3";;;;;;;-1.1;;-4.2;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM442541;MM442541;N#CC1OC1C(=O)O;MCICJTGIJLWFKD-UHFFFAOYSA-N;113.07;-0.64;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_SP1";;;;;;;-0.79;;-8.8;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM442542;MM442542;N#CC#CC1CC1C=CF;JSVZWQWBBWDZRM-UHFFFAOYSA-N;135.14;1.63;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4_SN0";;;;;;;2.5;;0.44;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM442543;MM442543;CCC1=CCC(=CC#N)C1;CLZMSQXTZBUMLO-UHFFFAOYSA-N;133.19;2.57;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC2_SN0";;;;;;;3.13;;0.3;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM442544;MM442544;C#CC1=COC(=NN)CC1;OWZXTNMZYILNPI-UHFFFAOYSA-N;136.15;0.59;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNda_SN0";;;;;;;1.17;;-1.13;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM442545;MM442545;Cn1c(CO)coc1=NO;QDFQQMNQDZAXSZ-UHFFFAOYSA-N;144.13;-0.6;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP1_SP1";;;;;;;-0.79;;-3.13;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM442546;MM442546;C=CC#CC1CC1C=NN;NZNNFROHWYNETC-UHFFFAOYSA-N;134.18;0.76;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNd_C4";;;;;;;2.2;;0.32;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM442547;MM442547;C=CC=C1CC=C(CN)C1;FVNZHAKUCLJZEH-UHFFFAOYSA-N;135.21;1.78;;;;;DOPC;MDCG;27;1;"MARTINI bead: SNd_SC4";;;;;;;2.2;;-1.66;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM442548;MM442548;C=CC(=NN)OCC1CO1;UVMWINHBDAQZID-UHFFFAOYSA-N;142.16;-0.14;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda_SNa";;;;;;;0.87;;-1.99;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM442549;MM442549;Nn1c(CF)coc1=NO;LCTHUBOKXODITM-UHFFFAOYSA-N;147.11;-0.45;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNa_SP2";;;;;;;-0.24;;-3.24;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM442550;MM442550;C=CC#CC1CC1C=NO;LOSLTIHQQMNEOX-UHFFFAOYSA-N;135.17;1.27;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_SC4";;;;;;;1.37;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM442551;MM442551;C=C1C(C)CC(O)C1C;CKDQOUQRYLUSSQ-UHFFFAOYSA-N;126.2;1.58;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNda_SC2";;;;;;;2.83;;0.57;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM442552;MM442552;CCC12COC(=NN)C1C2;ULVKIRUVOVMMKF-UHFFFAOYSA-N;140.19;0.71;;;;;DOPC;MDCG;27;0;"MARTINI bead: SN0_SNda";;;;;;;1.17;;-1.13;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM442553;MM442553;CNc1coc(=NO)n1N;WQUZCAPLMQHJEP-UHFFFAOYSA-N;144.13;-0.87;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNd_SP2";;;;;;;-0.24;;-3.16;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM442554;MM442554;N#CC#CC1CC1C=NO;DBTVYTRRVBBXBZ-UHFFFAOYSA-N;134.14;0.61;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_SN0";;;;;;;0.34;;-1.53;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM442555;MM442555;Cc1cc(=NN)on1C;ZCBFDJGFQSTOTQ-UHFFFAOYSA-N;127.15;-0.3;;;;;DOPC;MDCG;27;0;"MARTINI bead: SN0_SP2";;;;;;;0.06;;-2.21;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM442556;MM442556;NN=C1OCC2(CF)CC12;QSEGHDYESRPHNE-UHFFFAOYSA-N;144.15;0.26;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNda_SNa";;;;;;;0.87;;-1.99;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM442557;MM442557;COc1coc(=NO)n1C;BMIMLCXGVPUZEQ-UHFFFAOYSA-N;144.13;-0.08;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNa_SP1";;;;;;;0.04;;-2.54;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM442558;MM442558;CC=CC1NC1C#CC#N;XIHALQQZVGZXRT-UHFFFAOYSA-N;132.17;0.43;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNd_N0";;;;;;;1.17;;-1.04;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM442559;MM442559;Cn1oc(=NN)cc1N;GAYJSUHOHDIXKB-UHFFFAOYSA-N;128.14;-1.03;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP2_SNd";;;;;;;-0.24;;-3.16;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM442560;MM442560;CCc1nn(O)c(=NN)o1;NYMZZSGZUWXHAK-UHFFFAOYSA-N;144.13;-0.95;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNa_SP2";;;;;;;-0.24;;-3.24;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM442561;MM442561;CCCCCC(C)(O)CC;JEWXYDDSLPIBBO-UHFFFAOYSA-N;144.26;2.73;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1_C5";;;;;;;3.68;;0.46;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM442562;MM442562;C=CC#CC1NC1C=NN;DDDOPTANMJIEKE-UHFFFAOYSA-N;135.17;-0.54;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP2_N0";;;;;;;0.06;;-2.21;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM442563;MM442563;C=CC=C1CC=C(CF)C1;XUKVZJFECSYATR-UHFFFAOYSA-N;138.19;2.79;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC5_SC4";;;;;;;2.97;;0.45;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM442564;MM442564;NN=c1oc(CO)nn1O;FNTODLIIXBCXLR-UHFFFAOYSA-N;146.11;-2.02;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP2_SP2";;;;;;;-1.34;;-4.31;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM442565;MM442565;CCc1noc(=NC)n1C;CWFXYJHWVCEGRG-UHFFFAOYSA-N;141.17;0.11;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNa_SP1";;;;;;;0.04;;-2.54;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM442566;MM442566;C=CC#CC1OC1C=CC;OUGTVMHZAZNUPC-UHFFFAOYSA-N;134.18;1.52;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNa_C4";;;;;;;2.2;;0.34;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM442567;MM442567;O=CC=C1CC=C(CF)C1;HUHWMLFYPUDFDE-UHFFFAOYSA-N;140.16;1.8;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC5_SNa";;;;;;;1.64;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM442568;MM442568;NN=c1oc(CF)nn1O;SQFSQFLUTDDCCP-UHFFFAOYSA-N;148.1;-1.04;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP2_SP1";;;;;;;-1.06;;-3.82;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM442569;MM442569;CN=c1onc(CF)n1C;WQTKSGVNPPDLSH-UHFFFAOYSA-N;145.14;0.01;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP1_SNa";;;;;;;0.04;;-2.54;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM442570;MM442570;CC=CC1OC1C#CC=O;PLCZFBXVLHMVOB-UHFFFAOYSA-N;136.15;0.53;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNa_P1";;;;;;;0.04;;-2.54;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM442571;MM442571;N#CC=C1CC=C(CF)C1;LGNZXIDWMDIHDU-UHFFFAOYSA-N;137.16;2.13;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC5_SN0";;;;;;;1.94;;0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM442572;MM442572;COC12COC(=NN)C1C2;ZILMEFXNHQCPRP-UHFFFAOYSA-N;142.16;-0.31;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNa_SNda";;;;;;;0.87;;-1.99;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM442573;MM442573;CN(C)N=CC(F)C=NN;QVJKJQAWUZPKEY-UHFFFAOYSA-N;146.17;-0.18;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_Nda";;;;;;;-0.24;;-3.31;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM442574;MM442574;CC=CC1OC1C#CC#N;GYTCKFOVVFGPTN-UHFFFAOYSA-N;133.15;0.86;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNa_N0";;;;;;;1.17;;-1.18;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM442575;MM442575;C=CC=C1CC=C(OC)C1;KOSVCJCBSOTGFT-UHFFFAOYSA-N;136.19;2.42;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC5_SC4";;;;;;;2.97;;0.45;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM442576;MM442576;C=CC12COC(=NN)C1C2;INXSREBMJJXAMZ-UHFFFAOYSA-N;138.17;0.48;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNda_SN0";;;;;;;1.17;;-1.13;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM442577;MM442577;COCC(=O)ON=CCF;UBYYQJDQUTYBNM-UHFFFAOYSA-N;149.12;0.13;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_C5";;;;;;;0.54;;-1.09;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM442578;MM442578;C=NNC=NCCCCC;HZRWUJMDNIRCRU-UHFFFAOYSA-N;141.22;1.41;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1_P1";;;;;;;2.08;;0.49;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM442579;MM442579;COC1=CCC(=CC=O)C1;GTPYGDIKJZYQDU-UHFFFAOYSA-N;138.17;1.44;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC5_SNa";;;;;;;1.64;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM442580;MM442580;CNc1nn(C)c(=NO)o1;NZQOBQVJDWDICL-UHFFFAOYSA-N;144.13;-0.66;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP1_SP2";;;;;;;-1.06;;-3.82;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM442581;MM442581;NC=CC(=O)ON=CCF;JGXIHEYRPIGMEN-UHFFFAOYSA-N;146.12;-0.04;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_Na";;;;;;;0.04;;-2.54;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM442582;MM442582;C=CC#CC1CN1N=CC;LYNGYDYEFTWDEJ-UHFFFAOYSA-N;134.18;0.87;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP1_C4";;;;;;;1.37;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM442583;MM442583;COC1=CCC(=CC#N)C1;KCEJBLGAUJAQEF-UHFFFAOYSA-N;135.17;1.76;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC5_SN0";;;;;;;1.94;;0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM442584;MM442584;C#CC1C2CC(=NN)OC12;FQUZBFLVQHDNII-UHFFFAOYSA-N;136.15;-0.07;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNda_SC5";;;;;;;1.64;;0.05;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM442585;MM442585;CCNN=CC(F)CCF;YTTUCXADDCCUHR-UHFFFAOYSA-N;150.17;1.28;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_C5";;;;;;;0.81;;-0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM442586;MM442586;CC=NN1CC1C#CC=O;HSLCVAFJPSBNJN-UHFFFAOYSA-N;136.15;-0.12;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP1_P1";;;;;;;-0.79;;-3.13;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM442587;MM442587;C=NN=C1CC=C(CC)C1;UJHQKDHQEBLNKO-UHFFFAOYSA-N;136.2;2.17;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC2_SC5";;;;;;;3.6;;0.34;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM442588;MM442588;CCOC(C)=NN;NXDSRYPRIRPYAK-UHFFFAOYSA-N;102.14;0.32;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_P2";;;;;;;0.54;;-1.09;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM442589;MM442589;C=NNC(=N)C#CC#CC;VPQCYPXUGCMEOY-UHFFFAOYSA-N;133.15;0.2;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4_P2";;;;;;;1.09;;-0.38;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM442590;MM442590;C=NNC=NCCCCF;GLGHNPGVBNDJAB-UHFFFAOYSA-N;145.18;0.97;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4_P2";;;;;;;1.09;;-0.37;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM442591;MM442591;C=NN=C1CC=C(CN)C1;MIYUZTWWIWKQKS-UHFFFAOYSA-N;137.19;0.72;;;;;DOPC;MDCG;27;1;"MARTINI bead: SNd_SC5";;;;;;;1.64;;-2.13;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM442592;MM442592;CNc1nn(N)c(=NO)o1;BFDSRTPQAQPTJP-UHFFFAOYSA-N;145.12;-1.48;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP1_SP3";;;;;;;-1.93;;-4.72;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM442593;MM442593;C=CC1=CCC(=CC)C1C;ZZXIIWDEEFOEKO-UHFFFAOYSA-N;134.22;3.08;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC3_SC2";;;;;;;4.53;;0.32;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM442594;MM442594;C#CC#CC1CC1C=CC;BCORJDUSEUOTQX-UHFFFAOYSA-N;130.19;1.84;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC3_C4";;;;;;;3.9;;0.47;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM442595;MM442595;C=NN=C1CC=C(CO)C1;QMJIUCPNQJRJCM-UHFFFAOYSA-N;138.17;0.76;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNda_SC5";;;;;;;1.64;;0.05;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM442596;MM442596;CCCOC(C)=NN;OMHOQHPAHQJTDB-UHFFFAOYSA-N;116.16;0.71;;;;;DOPC;MDCG;27;0;"MARTINI bead: C3_P2";;;;;;;1.46;;-0.15;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM442597;MM442597;CC=C1CC=C(C#N)C1C;VFVKVJDBINVCSI-UHFFFAOYSA-N;133.19;2.42;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC3_SC5";;;;;;;3.34;;0.48;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM442598;MM442598;C#CC#CC1CC1C=CF;CAODWAXMIDCTAI-UHFFFAOYSA-N;134.15;1.74;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4_SC5";;;;;;;2.97;;0.45;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM442599;MM442599;C=NN=C1CC=C(CF)C1;QAIMMLJFYPDDKN-UHFFFAOYSA-N;140.16;1.73;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC5_SC5";;;;;;;2.41;;0.64;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM442600;MM442600;C=CC1=CCC(=CF)C1C;BDSPTQXZVXRYJL-UHFFFAOYSA-N;138.19;2.99;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC5_SC2";;;;;;;3.6;;0.34;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM442601;MM442601;CC(CC(F)=CF)=NN;ADSQIUMCLFXJLS-UHFFFAOYSA-N;134.13;1.49;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nd_C5";;;;;;;1.64;;0.02;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM442602;MM442602;C#CC#CC1CC1C=NN;LJEPPKVPMBIQKT-UHFFFAOYSA-N;132.17;0.2;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNd_C4";;;;;;;2.2;;0.32;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM442603;MM442603;C=NN=C1CC=C(OC)C1;ZMPRAYUTRNJZKP-UHFFFAOYSA-N;138.17;1.37;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC5_SC5";;;;;;;2.41;;0.64;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM442604;MM442604;CC1C(C=O)=CCC1=CF;IGFJWRIHGWEOIU-UHFFFAOYSA-N;140.16;2;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC5_SC5";;;;;;;2.41;;0.64;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM442605;MM442605;CNc1nn(O)c(=NO)o1;ZCUWTEWANGQNFC-UHFFFAOYSA-N;146.11;-0.96;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP1_SP2";;;;;;;-1.06;;-3.82;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM442606;MM442606;C#CC#CC1CC1C=NO;ORCXQCUYLCXSKX-UHFFFAOYSA-N;133.15;0.72;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_SC5";;;;;;;0.81;;-0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM442607;MM442607;CCC1=CN=C(NC=N)C1;RXLWTDMUECREOC-UHFFFAOYSA-N;137.19;1.28;;;;;DOPC;MDCG;27;1;"MARTINI bead: SC4_SP1";;;;;;;1.37;;-1.39;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM442608;MM442608;C=CC1=CCC(=CF)C1N;LALDNKUOHAAOBO-UHFFFAOYSA-N;139.17;1.68;;;;;DOPC;MDCG;27;1;"MARTINI bead: SNda_SC3";;;;;;;2.57;;-0.76;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM442609;MM442609;CN=c1oc(OC)nn1C;KCTCPPKGSGLRGF-UHFFFAOYSA-N;143.15;-0.45;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP1_SP2";;;;;;;-1.06;;-3.82;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM442610;MM442610;C#CC#CC1NC1C=CC;PAZSGGKSPDJLBO-UHFFFAOYSA-N;131.18;0.54;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNd_N0";;;;;;;1.17;;-1.04;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM442611;MM442611;N=CNC1=NC=C(CN)C1;LYYZPXUFCGXYMU-UHFFFAOYSA-N;138.17;-0.17;;;;;DOPC;MDCG;27;1;"MARTINI bead: SNd_SP1";;;;;;;0.04;;-4.27;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM442612;MM442612;C=CC1=CCC(=NN)C1C;ZYXYNJVOQSNEQC-UHFFFAOYSA-N;136.2;1.45;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNd_SC3";;;;;;;2.57;;0.53;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM442613;MM442613;CC(=NN)OCC(C)C;BIGCREXGVXQRRN-UHFFFAOYSA-N;130.19;0.95;;;;;DOPC;MDCG;27;0;"MARTINI bead: C3_P2";;;;;;;1.46;;-0.15;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM442614;MM442614;C#CC#CC1OC1C=CC;CPOCVMVHPIBYNV-UHFFFAOYSA-N;132.16;0.97;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNa_C4";;;;;;;2.2;;0.34;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM442615;MM442615;N=CNC1=NC=C(CO)C1;UAWNYQWXZHVGMX-UHFFFAOYSA-N;139.16;-0.14;;;;;DOPC;MDCG;27;1;"MARTINI bead: SP1_SP1";;;;;;;-0.79;;-4.5;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM442616;MM442616;C=CC1=CCC(=NO)C1C;AJLSYRLFWIOMKL-UHFFFAOYSA-N;137.18;1.97;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNda_SC3";;;;;;;2.57;;0.44;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM442617;MM442617;CN=c1oc(OC)nn1N;VLQSVERFKIDBTH-UHFFFAOYSA-N;144.13;-1.27;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP1_SP2";;;;;;;-1.06;;-3.82;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM442618;MM442618;C#CC1=NNC(=NC)CC1;HTCCLFYYVVTZCH-UHFFFAOYSA-N;135.17;0.39;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNd_SP1";;;;;;;0.04;;-2.63;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM442619;MM442619;N=CNC1=NC=C(CF)C1;GRAXFOZUQCCJMK-UHFFFAOYSA-N;141.15;0.84;;;;;DOPC;MDCG;27;1;"MARTINI bead: SNa_SP1";;;;;;;0.04;;-3.88;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM442620;MM442620;CC1C(C=O)=CCC1=NO;MEGXHOMAHHOHBP-UHFFFAOYSA-N;139.15;0.98;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNda_SNa";;;;;;;0.87;;-1.99;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM442621;MM442621;CC(=NN)OCC(C)F;YKRIJZBQGDILPG-UHFFFAOYSA-N;134.15;0.65;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_P2";;;;;;;0.54;;-1.09;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM442622;MM442622;C#CC(C#C)NN=C;YWEFAKNXDBAKJL-UHFFFAOYSA-N;106.13;-0.17;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_N0";;;;;;;0.34;;-1.53;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM442623;MM442623;Cn1oc(=NN)cc1F;JXLJPYVMJPPLSE-UHFFFAOYSA-N;131.11;-0.47;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP2_SNa";;;;;;;-0.24;;-3.24;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM442624;MM442624;CN=C1NC=C(C#N)C1C;MIWSKJOZVPPCPI-UHFFFAOYSA-N;135.17;0.66;;;;;DOPC;MDCG;27;1;"MARTINI bead: SNd_SN0";;;;;;;1.17;;-2.85;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM442625;MM442625;CCCCOC(C)=NN;GUHADWHKURZVOL-UHFFFAOYSA-N;130.19;1.1;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1_P2";;;;;;;1.8;;0.4;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM442626;MM442626;C#CC#CC1CN1N=CC;UENNKWDNNWEIPF-UHFFFAOYSA-N;132.17;0.31;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP1_C4";;;;;;;1.37;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM442627;MM442627;C=NNC1=NC=C(CN)C1;PNLYTMHZQJZDQM-UHFFFAOYSA-N;138.17;-0.16;;;;;DOPC;MDCG;27;1;"MARTINI bead: SNd_SNd";;;;;;;0.87;;-3.68;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM442628;MM442628;C=CC1=CN=C(NN)C1C;YUFKNZYOKFCWAM-UHFFFAOYSA-N;137.19;0.57;;;;;DOPC;MDCG;27;1;"MARTINI bead: SP1_SC5";;;;;;;0.81;;-2.17;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM442629;MM442629;COc1nn(O)c(=NN)o1;VYZOHFOWYFTUIC-UHFFFAOYSA-N;146.11;-1.5;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP1_SP2";;;;;;;-1.06;;-3.82;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM442630;MM442630;C=NN=C1CCC(=C)N1;POXAPJIEMJOVAZ-UHFFFAOYSA-N;123.16;0.9;;;;;DOPC;MDCG;27;0;"MARTINI bead: SN0_SNd";;;;;;;1.17;;-1.04;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM442631;MM442631;Cc1cc(=NN)on1N;QCIKFWATFXURFR-UHFFFAOYSA-N;128.14;-1.12;;;;;DOPC;MDCG;27;0;"MARTINI bead: SN0_SP2";;;;;;;0.06;;-2.21;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM442632;MM442632;C=CC1=CNC(=NC)C1N;PGXJHVCAAXAKEL-UHFFFAOYSA-N;137.19;0.02;;;;;DOPC;MDCG;27;1;"MARTINI bead: SP2_SN0";;;;;;;0.06;;-3.76;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM442633;MM442633;C=CC1=CC(C)C(=CC)C1;WPTFIBKYAQZKGJ-UHFFFAOYSA-N;134.22;3.08;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC2_SC3";;;;;;;4.53;;0.32;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM442634;MM442634;CC#CC1NC1C#CCF;YLPOJAHSPPOIQR-UHFFFAOYSA-N;137.16;0.32;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP1_Na";;;;;;;0.04;;-2.54;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM442635;MM442635;NN=c1cc(N)n(N)o1;JTCFMVVDCQTZSU-UHFFFAOYSA-N;129.12;-1.85;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNd_SP2";;;;;;;-0.24;;-3.16;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM442636;MM442636;N=C(N)C(=O)ON=CCF;JWTJYGVDBPZPKI-UHFFFAOYSA-N;147.11;-0.58;;;;;DOPC;MDCG;27;0;"MARTINI bead: P3_C5";;;;;;;-0.33;;-2.01;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM442637;MM442637;CC=C1CC(C#N)=CC1C;YIWSOQDFDXQZEU-UHFFFAOYSA-N;133.19;2.42;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC2_SN0";;;;;;;3.13;;0.3;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM442638;MM442638;C=CC#CC1CC1C#CC;SIGMRCSTLFMLFI-UHFFFAOYSA-N;130.19;1.84;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC4_C4";;;;;;;3.53;;0.53;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM442639;MM442639;COC1=CN=C(NC=N)C1;PAXSMZMTXNXYAD-UHFFFAOYSA-N;139.16;0.47;;;;;DOPC;MDCG;27;1;"MARTINI bead: SNa_SP1";;;;;;;0.04;;-3.74;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM442640;MM442640;CC1C(C#N)=NNC1=NO;WIMFHUXPGHVACQ-UHFFFAOYSA-N;138.13;-0.11;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP1_SP1";;;;;;;-0.79;;-3.13;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM442641;MM442641;C=CC1=NC(=CC)C(C)N1;WXKUNTXGLHXTLP-UHFFFAOYSA-N;136.2;1.47;;;;;DOPC;MDCG;27;1;"MARTINI bead: SN0_SNd";;;;;;;1.17;;-3.07;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM442642;MM442642;CC#CC1CC1C#CC#N;PEDNPJPANAYXGT-UHFFFAOYSA-N;129.16;1.17;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC4_N0";;;;;;;2.5;;0.44;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM442643;MM442643;C=C1C(=O)CC2NC12C;ALFLPGWHCDHUOG-UHFFFAOYSA-N;123.16;0.25;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP1_SNa";;;;;;;0.04;;-2.54;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM442644;MM442644;CC=C1OC=C(C=O)C1C;CHIKSKLXUFCNLR-UHFFFAOYSA-N;138.17;1.64;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC5_SNa";;;;;;;1.64;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM442645;MM442645;C=CCCOC(C)=NN;OMWVQBJBDJOBEE-UHFFFAOYSA-N;128.18;0.87;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_C3";;;;;;;1.46;;-0.15;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM442646;MM442646;C=CC#CC1NC1C#CC;OTHDMOZHMIGBPF-UHFFFAOYSA-N;131.18;0.54;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP1_N0";;;;;;;0.34;;-1.53;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM442647;MM442647;C=C1COC(=NC=N)N1;MMXLEGQMNGIYAM-UHFFFAOYSA-N;125.13;0.08;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP1_SP1";;;;;;;-0.79;;-3.13;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM442648;MM442648;CC=C1OC=C(C#N)C1C;JOZZBELIKQYVBJ-UHFFFAOYSA-N;135.17;1.96;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC5_SN0";;;;;;;1.94;;0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM442649;MM442649;CC=C1OC(C#N)=CC1C;QMVDVEONUWQZDE-UHFFFAOYSA-N;135.17;1.96;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC4_SNa";;;;;;;2.2;;0.34;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM442650;MM442650;CC#CC1NC1C#CC#N;UERPSQJAITXUAF-UHFFFAOYSA-N;130.15;-0.12;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP1_N0";;;;;;;0.34;;-1.53;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM442651;MM442651;Cc1cn(C)oc1=NN;VCFOLJSPKFYKGZ-UHFFFAOYSA-N;127.15;-0.3;;;;;DOPC;MDCG;27;0;"MARTINI bead: SN0_SP2";;;;;;;0.06;;-2.21;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM442652;MM442652;C=CC1=COC(=CF)C1C;QTWFKKOTRHMAHA-UHFFFAOYSA-N;140.16;2.53;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC5_SC5";;;;;;;2.41;;0.64;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM442653;MM442653;C=Cc1cn(C)c(=NC)[nH]1;UXLSOFAEXGKJQI-UHFFFAOYSA-N;137.19;0.53;;;;;DOPC;MDCG;27;1;"MARTINI bead: SNd_SNd";;;;;;;0.87;;-5.89;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM442654;MM442654;CC#CC1OC1C#CC#N;UREBAOIPMALXBB-UHFFFAOYSA-N;131.13;0.3;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNa_N0";;;;;;;1.17;;-1.18;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM442655;MM442655;Cc1cn(N)oc1=NN;BKSIOGFUFKIZTB-UHFFFAOYSA-N;128.14;-1.12;;;;;DOPC;MDCG;27;0;"MARTINI bead: SN0_SP2";;;;;;;0.06;;-2.21;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM442656;MM442656;C=CC1=NCC(=CC)N1C;DVPLLMPQQPGXCQ-UHFFFAOYSA-N;136.2;1.42;;;;;DOPC;MDCG;27;1;"MARTINI bead: SN0_SNd";;;;;;;1.17;;-2.99;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM442657;MM442657;CN=c1[nH]c(C=O)cn1C;SMAOLJGIBDDXPF-UHFFFAOYSA-N;139.16;-0.3;;;;;DOPC;MDCG;27;1;"MARTINI bead: SNd_SP1";;;;;;;0.04;;-3.77;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM442658;MM442658;C#CC#CC1CC1C#CC;LHKMDJPPGGBPLW-UHFFFAOYSA-N;128.17;1.28;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC4_C4";;;;;;;3.53;;0.53;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM442659;MM442659;C=NNC1=NN=C(CO)C1;ZPUSPMMONYZHKL-UHFFFAOYSA-N;140.15;-0.66;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNda_SNd";;;;;;;0.87;;-1.92;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM442660;MM442660;N=c1nn[nH]nc1C=CF;QAKFYLOBEDDLEP-UHFFFAOYSA-N;141.11;-0.38;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP2_SP2";;;;;;;-1.34;;-9.55;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM442661;MM442661;C=Cc1cn(C)c(=NN)[nH]1;GICGNTZAVHLUNQ-UHFFFAOYSA-N;138.17;-0.23;;;;;DOPC;MDCG;27;1;"MARTINI bead: SNd_SP2";;;;;;;-0.24;;-5.44;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM442662;MM442662;C#CC#CC1NC1C#CC;YYDQOTVVXYNEBG-UHFFFAOYSA-N;129.16;-0.01;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP1_N0";;;;;;;0.34;;-1.53;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM442663;MM442663;C=CC=C1CC(CC)=CO1;WKFPYPVLPYRVRC-UHFFFAOYSA-N;136.19;2.77;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC5_SC5";;;;;;;2.41;;0.64;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM442664;MM442664;Cn1c(C#N)c[nH]c1=NO;PQMZMAYVYBPLNZ-UHFFFAOYSA-N;138.13;-0.49;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP1_SP3";;;;;;;-1.93;;-4.72;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM442665;MM442665;Cn1cc(C=O)[nH]c1=NO;CMPYONDZJJEXBZ-UHFFFAOYSA-N;141.13;-0.54;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP1_SP2";;;;;;;-1.06;;-3.82;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM442666;MM442666;C#CC#CC1OC1C#CC;RNPHDHKSCJEBJN-UHFFFAOYSA-N;130.15;0.41;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNa_C4";;;;;;;2.2;;0.34;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM442667;MM442667;C=CC=C1CC(CN)=CO1;QVWGIOGNZDEATP-UHFFFAOYSA-N;137.18;1.32;;;;;DOPC;MDCG;27;1;"MARTINI bead: SP1_SC5";;;;;;;0.81;;-2.65;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM442668;MM442668;C=NNC(=NCC)OCC;AWYNVQAPDMRWGV-UHFFFAOYSA-N;143.19;0.6;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_C4";;;;;;;1.37;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM442669;MM442669;Cn1cc(C#N)[nH]c1=NO;KUDMKOBRQAVDHX-UHFFFAOYSA-N;138.13;-0.49;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNd_SP2";;;;;;;-0.24;;-3.16;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM442670;MM442670;N#CC(=CC(=O)O)NC=O;SVGRZXCWULHILJ-UHFFFAOYSA-N;140.1;-0.78;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_P1";;;;;;;-0.79;;-9.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM442671;MM442671;C=CC=C1CC(CO)=CO1;XQAKRVNOIDPWPP-UHFFFAOYSA-N;138.17;1.35;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP1_SC5";;;;;;;0.81;;-0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM442672;MM442672;C#Cc1nnn(C=O)c1O;ILGATOGXVKNFNF-UHFFFAOYSA-N;137.1;-1;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP1_SP2";;;;;;;-1.06;;-9.01;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM442673;MM442673;C=Cc1cn(N)c(=NC)[nH]1;HMLVYAJHKGHDJT-UHFFFAOYSA-N;138.17;-0.3;;;;;DOPC;MDCG;27;1;"MARTINI bead: SP2_SP1";;;;;;;-1.06;;-6.97;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM442674;MM442674;ON=c1[nH]nno1;OHQRETHLOHPGOX-UHFFFAOYSA-N;102.05;-1.31;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP2_SP2";;;;;;;-1.34;;-9.63;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM442675;MM442675;C=CC=C1CC(CF)=CO1;ZDXDMZSCLMXVLO-UHFFFAOYSA-N;140.16;2.33;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNa_SC5";;;;;;;1.64;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM442676;MM442676;CNC(=O)C#CC(=O)O;FZBFACBISYUWCH-UHFFFAOYSA-N;127.1;-1.18;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_P1";;;;;;;-0.79;;-8.8;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM442677;MM442677;C=Cc1cn(N)c(=NN)[nH]1;FRNRRXKYIKUDQH-UHFFFAOYSA-N;139.16;-1.05;;;;;DOPC;MDCG;27;1;"MARTINI bead: SP3_SP1";;;;;;;-1.93;;-6.4;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM442678;MM442678;C#CC=Cn1oncc1=O;STVNHWNOWFWKNC-UHFFFAOYSA-N;136.11;-0.06;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP1_SP1";;;;;;;-0.79;;-3.13;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM442679;MM442679;C=CC=C1CC(OC)=CO1;JTIIRPZZWIIRDW-UHFFFAOYSA-N;138.17;1.96;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNa_SC5";;;;;;;1.64;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM442680;MM442680;Nc1n[nH]nnc(=O)c1=O;UJSGBGTWAUHMEY-UHFFFAOYSA-N;141.09;-2.5;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP3_SP3";;;;;;;-3.07;;-10.28;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM442681;MM442681;C#CCCOC(C)=NN;LJBCVFWMNFHNQT-UHFFFAOYSA-N;126.16;0.32;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_C5";;;;;;;0.54;;-1.09;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM442682;MM442682;NN=c1onc(O)oc1=O;RYBXCYITOOFRHS-UHFFFAOYSA-N;145.07;-1.89;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP2_SP3";;;;;;;-2.2;;-9.64;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM442683;MM442683;CCC1=CCC(NC=N)=N1;DOZZSDTUEIRXMI-UHFFFAOYSA-N;137.19;1.28;;;;;DOPC;MDCG;27;1;"MARTINI bead: SC5_SP1";;;;;;;0.81;;-1.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM442684;MM442684;Cn1c(C=O)coc1=NO;SEYMKXGOZCPKGR-UHFFFAOYSA-N;142.11;-0.28;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP1_SP1";;;;;;;-0.79;;-3.13;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM442685;MM442685;C=Cc1cn(O)c(=NC)[nH]1;XGZSTVKQSUVOBM-UHFFFAOYSA-N;139.16;0.23;;;;;DOPC;MDCG;27;1;"MARTINI bead: SP2_SP1";;;;;;;-1.06;;-5.36;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM442686;MM442686;N#CC(=CC(=O)O)C(N)=O;OQCVXYHXCMIWFO-UHFFFAOYSA-N;140.1;-0.99;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_P1";;;;;;;-0.79;;-9.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM442687;MM442687;N=CNC1=NC(CN)=CC1;NIBJJAPNHPNHIP-UHFFFAOYSA-N;138.17;-0.17;;;;;DOPC;MDCG;27;1;"MARTINI bead: SP1_SP1";;;;;;;-0.79;;-4.48;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM442688;MM442688;CN=c1onc(C#N)n1C;AKSMCFGMWJYNFO-UHFFFAOYSA-N;138.13;-0.58;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP1_SNa";;;;;;;0.04;;-2.54;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM442689;MM442689;Nc1cnn(N)c(=O)n1;ZAIFJWJXIRNHHG-UHFFFAOYSA-N;127.11;-2.07;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP2_SP3";;;;;;;-2.2;;-5.19;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM442690;MM442690;NN=c1c(=O)nn[nH]n1N;NGIHMMKOGSIIMG-UHFFFAOYSA-N;143.11;-3.55;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP3_SP2";;;;;;;-2.2;;-9.64;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM442691;MM442691;N=CNC1=NC(CO)=CC1;APJBQHUDBIFFFV-UHFFFAOYSA-N;139.16;-0.14;;;;;DOPC;MDCG;27;1;"MARTINI bead: SP1_SP1";;;;;;;-0.79;;-4.41;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM442692;MM442692;CN=c1onc(C=O)n1O;LTODVTORLCUCRJ-UHFFFAOYSA-N;143.1;-0.94;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP2_SP1";;;;;;;-1.06;;-3.82;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM442693;MM442693;CN=c1[nH]c(C#N)cn1O;RJCLHOUVJULQCF-UHFFFAOYSA-N;138.13;-0.54;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP2_SNd";;;;;;;-0.24;;-3.16;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM442694;MM442694;CCC(=O)C(C=O)C=O;HNRLGKNVSPLBSX-UHFFFAOYSA-N;128.13;-0.02;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_Na";;;;;;;0.87;;-8.55;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM442695;MM442695;N=CNC1=NC(CF)=CC1;MFYSOCYNLZQRED-UHFFFAOYSA-N;141.15;0.84;;;;;DOPC;MDCG;27;1;"MARTINI bead: SNa_SP1";;;;;;;0.04;;-3.8;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM442696;MM442696;C=Cc1noc(=NN)n1O;QLEJJAUUDRYLEN-UHFFFAOYSA-N;142.12;-0.87;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP2_SNa";;;;;;;-0.24;;-3.24;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM442697;MM442697;C=Cc1cn(O)c(=NO)[nH]1;NLXXIVORUFXNCF-UHFFFAOYSA-N;141.13;-0.01;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP3_SP1";;;;;;;-1.93;;-4.72;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM442698;MM442698;O=Cn1nnc(F)c1O;WUOQTTSRBMFVMT-UHFFFAOYSA-N;131.07;-0.84;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP1_SP2";;;;;;;-1.06;;-9.09;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM442699;MM442699;C=C1C(F)=COC1=NN;SPBKTNGRQOXORS-UHFFFAOYSA-N;128.11;0.66;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNda_SNa";;;;;;;0.87;;-1.99;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM442700;MM442700;C#CC1=CCC(=CC)C1C;ZUWQZWZVIXIELU-UHFFFAOYSA-N;132.21;2.53;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC3_SC4";;;;;;;3.9;;0.47;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM442701;MM442701;CN=c1c(=N)nn[nH]n1O;UPECDJDTRCMOKT-UHFFFAOYSA-N;142.12;-2.15;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP2_SP2";;;;;;;-1.34;;-9.39;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM442702;MM442702;C=Nn1nnc(F)c1O;WSQNTKHSIAIDRG-UHFFFAOYSA-N;130.08;-0.41;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP1_SP2";;;;;;;-1.06;;-9.09;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM442703;MM442703;C=CC=C1CNC(CC)=N1;IOCNLJQRMVQIQI-UHFFFAOYSA-N;136.2;1.47;;;;;DOPC;MDCG;27;1;"MARTINI bead: SNd_SN0";;;;;;;1.17;;-3.42;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM442704;MM442704;C#CC1=CCC(=CF)C1C;YHKJZRIFOXDFTN-UHFFFAOYSA-N;136.17;2.44;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC5_SC4";;;;;;;2.97;;0.45;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM442705;MM442705;CC=NN1CCC(=O)C1;VTTAZKIKIXYMII-UHFFFAOYSA-N;126.16;0.27;;;;;DOPC;MDCG;27;0;"MARTINI bead: SN0_SP2";;;;;;;0.06;;-2.21;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM442706;MM442706;CCCC(C)C1CC1CC;BZUSGKYZIFQVIZ-UHFFFAOYSA-N;140.27;3.47;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1_SC3";;;;;;;4.61;;0.31;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM442707;MM442707;C=CC=C1CNC(CN)=N1;VXQCATPWAQCJJJ-UHFFFAOYSA-N;137.19;0.02;;;;;DOPC;MDCG;27;1;"MARTINI bead: SP2_SN0";;;;;;;0.06;;-3.49;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM442708;MM442708;C#CC1=CCC(=NN)C1C;AYOYHOMGGCLEHW-UHFFFAOYSA-N;134.18;0.9;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNd_SC5";;;;;;;1.64;;0.02;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM442709;MM442709;NN=CNOC(=O)C(=O)O;VKCDTGANVJUVHD-UHFFFAOYSA-N;147.09;-1.98;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_P1";;;;;;;-0.79;;-8.49;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM442710;MM442710;CN=CNN=CC=CF;BKQXVVDYAUMQSZ-UHFFFAOYSA-N;129.14;0.7;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_C5";;;;;;;0.81;;-0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM442711;MM442711;C=CC=C1CNC(CF)=N1;CXZXMVRQXYSOJP-UHFFFAOYSA-N;140.16;1.03;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNda_SN0";;;;;;;1.17;;-1.13;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM442712;MM442712;C#CC1=CNC(=NC)C1C;CYXWWMXNHLOWOM-UHFFFAOYSA-N;134.18;0.77;;;;;DOPC;MDCG;27;1;"MARTINI bead: SNd_SP1";;;;;;;0.04;;-5.01;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM442713;MM442713;Cn1nc(O)oc(=O)c1=O;GUUNFVGLAFKBMM-UHFFFAOYSA-N;144.09;-1.56;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP3_SP3";;;;;;;-3.07;;-10.26;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM442714;MM442714;NCCC(N)C1CC1CO;JKSNCGAVVFZBNA-UHFFFAOYSA-N;144.22;-0.71;;;;;DOPC;MDCG;27;1;"MARTINI bead: P3_SNda";;;;;;;-1.1;;-6.65;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM442715;MM442715;C=CC=C1CN=C(NC)N1;OSGUPNLOTSONOE-UHFFFAOYSA-N;137.19;0.23;;;;;DOPC;MDCG;27;1;"MARTINI bead: SP1_SNd";;;;;;;0.04;;-6.21;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM442716;MM442716;C#CC1=CN=C(NN)C1C;PCEAAVVDWSRLKD-UHFFFAOYSA-N;135.17;0.02;;;;;DOPC;MDCG;27;1;"MARTINI bead: SP1_SN0";;;;;;;0.34;;-2.56;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM442717;MM442717;Cc1nc(=NN)cno1;IWKDIZIQOCHHNP-UHFFFAOYSA-N;126.12;-0.85;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP2_SP3";;;;;;;-2.2;;-5.19;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM442718;MM442718;CCCC(N)C1CC1CF;MOCIFMCPMWGUPK-UHFFFAOYSA-N;145.22;1.72;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_SC5";;;;;;;1.64;;-2.96;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM442719;MM442719;C=CC=C1CN=C(NN)N1;YRPIKXIGLBOWCA-UHFFFAOYSA-N;138.17;-0.52;;;;;DOPC;MDCG;27;1;"MARTINI bead: SP2_SN0";;;;;;;0.06;;-5.05;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM442720;MM442720;CC(=O)C1CN(C(C)=O)C1;DRMSYBZQWGFWPK-UHFFFAOYSA-N;141.17;0.05;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP1_SP1";;;;;;;-0.79;;-3.13;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM442721;MM442721;C=Cc1nn(N)c(=NO)[nH]1;DSDJILGTOJGXCM-UHFFFAOYSA-N;141.13;-1.14;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNda_SP3";;;;;;;-1.1;;-3.97;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM442722;MM442722;NCCC(N)C1CC1CF;VNBDJDNEEQOCNW-UHFFFAOYSA-N;146.21;0.27;;;;;DOPC;MDCG;27;1;"MARTINI bead: P3_SC5";;;;;;;-0.33;;-4.86;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM442723;MM442723;C=CC=C1CN=C(NO)N1;YEVIEHMIMNNYRZ-UHFFFAOYSA-N;139.16;-0.01;;;;;DOPC;MDCG;27;1;"MARTINI bead: SP2_SN0";;;;;;;0.06;;-3.6;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM442724;MM442724;C#CC1=COC(=CC)C1C;YVKKMRSALRWUCB-UHFFFAOYSA-N;134.18;2.07;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC5_SN0";;;;;;;1.94;;0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM442725;MM442725;CNC(C=O)=C(F)C(=O)O;QOJXBMVVOPLIEO-UHFFFAOYSA-N;147.11;-0.33;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda_P1";;;;;;;0.04;;-8;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM442726;MM442726;CCCC(O)C1CC1CN;PXLYVRQAHJDIAW-UHFFFAOYSA-N;143.23;0.74;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nda_SNd";;;;;;;0.87;;-4.42;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM442727;MM442727;C=CC=C1CN=C(OC)N1;CAJFRNMNEOKGLC-UHFFFAOYSA-N;138.17;0.66;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP1_SN0";;;;;;;0.34;;-1.53;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM442728;MM442728;C#CC1=NOC(=NO)C1C;SECDOWVMJKBQDA-UHFFFAOYSA-N;138.13;0.43;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNda_SN0";;;;;;;1.17;;-1.13;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM442729;MM442729;CCCC(O)C1CC1CO;LDIGINKMYPIYQH-UHFFFAOYSA-N;144.21;0.78;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda_SNda";;;;;;;0.87;;-2.07;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM442730;MM442730;N#CCCC(O)C(=O)O;UKXWUSDTTHLVST-UHFFFAOYSA-N;129.12;-0.26;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_P2";;;;;;;-1.06;;-8.87;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM442731;MM442731;C=NN=C1CNC(CN)=N1;OZRBMGKKXCBRIB-UHFFFAOYSA-N;139.16;-1.04;;;;;DOPC;MDCG;27;1;"MARTINI bead: SP2_SP1";;;;;;;-1.06;;-4.84;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM442732;MM442732;C#Cc1c[nH]c(=NC)n1C;YZFBQBWKNDFVTO-UHFFFAOYSA-N;135.17;-0.14;;;;;DOPC;MDCG;27;1;"MARTINI bead: SP1_SNd";;;;;;;0.04;;-5.69;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM442733;MM442733;CCCC(O)C1CC1CF;XNYZLAGKWDYQJN-UHFFFAOYSA-N;146.21;1.75;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda_SC5";;;;;;;1.64;;0.05;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM442734;MM442734;C=C1C(=NN)N=CN1C;DAZOTTKOLYPUFK-UHFFFAOYSA-N;124.15;-0.25;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNd_SP3";;;;;;;-1.1;;-3.93;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM442735;MM442735;CCC(F)C(=NN)OC;ATIRGEOXFFVEIJ-UHFFFAOYSA-N;134.15;0.65;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4_P1";;;;;;;1.37;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM442736;MM442736;C#Cc1c[nH]c(=NN)n1C;WUVRFYXEIJDFQD-UHFFFAOYSA-N;136.16;-0.89;;;;;DOPC;MDCG;27;1;"MARTINI bead: SNd_SP2";;;;;;;-0.24;;-4.7;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM442737;MM442737;CCCC(F)C1CC1CC;LHDDFEBFIAMJOE-UHFFFAOYSA-N;144.23;3.17;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4_SC3";;;;;;;3.9;;0.47;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM442738;MM442738;C=Cc1cn(C)c(=NO)o1;NYUCHDWQRARUFK-UHFFFAOYSA-N;140.14;0.55;;;;;DOPC;MDCG;27;0;"MARTINI bead: SN0_SP1";;;;;;;0.34;;-1.53;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM442739;MM442739;C#CC(=C)C(=NN)OC;FERTWXRJEWHESS-UHFFFAOYSA-N;124.14;0.09;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_N0";;;;;;;0.34;;-1.53;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM442740;MM442740;C#CC(C#N)(CC)NN=C;SYUDUGUWIXGJJZ-UHFFFAOYSA-N;135.17;0.5;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_P1";;;;;;;0.81;;-0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM442741;MM442741;CCCC(C)C1CC1NC;MENJMQNPFAZBNU-UHFFFAOYSA-N;141.26;2.03;;;;;DOPC;MDCG;27;1;"MARTINI bead: C1_SNd";;;;;;;2.91;;-0.54;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM442742;MM442742;Cn1cc(C=O)oc1=NO;UHBXIBGHBUNJRK-UHFFFAOYSA-N;142.11;-0.28;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP1_SP1";;;;;;;-0.79;;-3.13;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM442743;MM442743;CNC1=NCC(NC=N)=N1;JKVGMSAKJMXNHS-UHFFFAOYSA-N;139.16;-0.83;;;;;DOPC;MDCG;27;1;"MARTINI bead: SP1_SP2";;;;;;;-1.06;;-6.97;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM442744;MM442744;C#Cc1c[nH]c(=NC)n1N;GRZZMZJBPCQFPZ-UHFFFAOYSA-N;136.16;-0.96;;;;;DOPC;MDCG;27;1;"MARTINI bead: SP1_SP1";;;;;;;-0.79;;-5.71;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM442745;MM442745;CCCC(O)C1CC1NC;UFDBQNUTHFBAPG-UHFFFAOYSA-N;143.23;0.76;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nda_SNd";;;;;;;0.87;;-4.18;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM442746;MM442746;C=Cc1cn(N)c(=NC)o1;VUBRGVLNWHOJLH-UHFFFAOYSA-N;139.16;-0.03;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP1_SN0";;;;;;;0.34;;-1.53;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM442747;MM442747;N=CNC1=NC(NN)=NC1;PDSFUKZUSAULGK-UHFFFAOYSA-N;140.15;-1.59;;;;;DOPC;MDCG;27;1;"MARTINI bead: SP2_SP2";;;;;;;-1.34;;-6.02;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM442748;MM442748;C#Cc1c[nH]c(=NN)n1N;DNHRURBWRJYGFE-UHFFFAOYSA-N;137.15;-1.71;;;;;DOPC;MDCG;27;1;"MARTINI bead: SP2_SP1";;;;;;;-1.06;;-4.91;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM442749;MM442749;CCCC(F)C1CC1NC;JMBXJAOXJICNFN-UHFFFAOYSA-N;145.22;1.73;;;;;DOPC;MDCG;27;1;"MARTINI bead: C4_SNd";;;;;;;2.2;;-1.82;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM442750;MM442750;C=C1C(=NN)N=CN1N;FMAXRRURMQLYPX-UHFFFAOYSA-N;125.14;-1.01;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP3_SP1";;;;;;;-1.93;;-4.72;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM442751;MM442751;CCC1=NC(=CC#N)NN1;ANUWVYPIZGWDLU-UHFFFAOYSA-N;136.16;0.27;;;;;DOPC;MDCG;27;1;"MARTINI bead: SP2_SP2";;;;;;;-1.34;;-5.54;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM442752;MM442752;C=CC(N)=NOC(=O)CC;FGOHSKDXIFWJBD-UHFFFAOYSA-N;142.16;0.4;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_P1";;;;;;;0.81;;-0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM442753;MM442753;COC1CC1C(C)CCN;UJWXOUKDTBIHMR-UHFFFAOYSA-N;143.23;1.01;;;;;DOPC;MDCG;27;1;"MARTINI bead: SNa_Nd";;;;;;;0.87;;-4.67;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM442754;MM442754;C=Cc1cn(N)c(=NO)o1;XZHBXKYWCBLBJW-UHFFFAOYSA-N;141.13;-0.27;;;;;DOPC;MDCG;27;0;"MARTINI bead: SN0_SP2";;;;;;;0.06;;-2.21;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM442755;MM442755;NN=C(CF)OCCF;SFGSAGUQNLCMJR-UHFFFAOYSA-N;138.12;0.21;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_P1";;;;;;;0.04;;-2.54;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM442756;MM442756;C#Cc1c[nH]c(=NO)n1O;MAFFHTGEYWLPJM-UHFFFAOYSA-N;139.11;-0.68;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP3_SP1";;;;;;;-1.93;;-4.72;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM442757;MM442757;CCCC(O)C1CC1OC;BKWBDRRJYWMIQM-UHFFFAOYSA-N;144.21;1.18;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda_SNa";;;;;;;0.87;;-1.99;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM442758;MM442758;C#CC1(C#N)CC=NN1;HHLXAIYJNWMITL-UHFFFAOYSA-N;119.13;-0.14;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP1_SP1";;;;;;;-0.79;;-3.13;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM442759;MM442759;COCOC(CF)=NN;OXFVSUWTMIJFSU-UHFFFAOYSA-N;136.13;-0.15;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_P2";;;;;;;-0.24;;-3.24;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM442760;MM442760;N=c1ncc(=O)onc1O;MSOIJNFZPSHPAT-UHFFFAOYSA-N;141.09;-1.39;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP3_SP3";;;;;;;-3.07;;-10.28;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM442761;MM442761;NCCC(N)C1NC1CN;KNNUPPJYTWXFAP-UHFFFAOYSA-N;144.22;-2.04;;;;;DOPC;MDCG;27;1;"MARTINI bead: P3_SP2";;;;;;;-2.2;;-7.78;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM442762;MM442762;NN=c1ccn(N)nn1;QWHOTUHNFLBJII-UHFFFAOYSA-N;126.12;-2.23;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP2_SP3";;;;;;;-2.2;;-5.19;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM442763;MM442763;C=NOCC(=NN)OC;IXCWCJDWRUYUKZ-UHFFFAOYSA-N;131.14;-0.46;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda_P1";;;;;;;0.04;;-2.73;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM442764;MM442764;C=C1C(CC)=CCC1=CC;STUKTTYAZAGLJV-UHFFFAOYSA-N;134.22;3.23;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC1_SC3";;;;;;;4.61;;0.31;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM442765;MM442765;NCCC(N)C1NC1CO;HTUNYVFSWDVSTD-UHFFFAOYSA-N;145.21;-2;;;;;DOPC;MDCG;27;1;"MARTINI bead: P3_SP2";;;;;;;-2.2;;-7.65;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM442766;MM442766;CC(=NN)OCC1CC1;TZIXRTNTCGRZHS-UHFFFAOYSA-N;128.18;0.71;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_SC5";;;;;;;0.54;;-1.09;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM442767;MM442767;C#CC(=CF)OC=NN;GGDRAGJUESYHKU-UHFFFAOYSA-N;128.11;0.35;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda_Na";;;;;;;0.87;;-1.99;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM442768;MM442768;C=C1C(CN)=CCC1=CC;BLCZODKKVVZKAI-UHFFFAOYSA-N;135.21;1.78;;;;;DOPC;MDCG;27;1;"MARTINI bead: SC3_SNd";;;;;;;2.57;;-0.91;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM442769;MM442769;NCCC(N)C1NC1CF;NSZFPHKUAWYMKM-UHFFFAOYSA-N;147.2;-1.03;;;;;DOPC;MDCG;27;1;"MARTINI bead: P3_SP1";;;;;;;-1.93;;-7.22;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM442770;MM442770;C#CC(=C)C1NC1C=O;ABQPBXFCOFIUQC-UHFFFAOYSA-N;121.14;-0.28;;;;;DOPC;MDCG;27;0;"MARTINI bead: N0_SP2";;;;;;;0.06;;-2.21;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM442771;MM442771;C=NN=CC(=NN)OC;RLKWYWKEPGPKEX-UHFFFAOYSA-N;128.14;-0.41;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_N0";;;;;;;0.34;;-1.53;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM442772;MM442772;C=C1C(CF)=CCC1=CC;GQJXSHMWRHLVEK-UHFFFAOYSA-N;138.19;2.79;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC3_SC5";;;;;;;3.34;;0.48;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM442773;MM442773;CCCC(O)C1NC1CN;FDEBIALXMHBNTL-UHFFFAOYSA-N;144.22;-0.55;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nda_SP2";;;;;;;-0.24;;-4.96;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM442774;MM442774;C=Cc1cn(O)c(=NO)o1;PAMYJXVUVTXSID-UHFFFAOYSA-N;142.11;0.25;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP2_SN0";;;;;;;0.06;;-2.21;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM442775;MM442775;C=CC=C1CC=C(CC)O1;BNMLHZGVCLPBEP-UHFFFAOYSA-N;136.19;2.77;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC5_SC5";;;;;;;2.41;;0.64;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM442776;MM442776;C=C1C(CN)=CCC1=CF;HWYVOKRZJKWGLE-UHFFFAOYSA-N;139.17;1.68;;;;;DOPC;MDCG;27;1;"MARTINI bead: SNd_SC5";;;;;;;1.64;;-2.08;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM442777;MM442777;CNCC(C)C1NC1CN;PHPQTPAMGIWJKJ-UHFFFAOYSA-N;143.23;-0.86;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_SP2";;;;;;;-0.24;;-6.08;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM442778;MM442778;C=Cc1nn(C)c(=NC)o1;JKDQNUJWGBVXQC-UHFFFAOYSA-N;139.16;0.19;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP2_SP1";;;;;;;-1.06;;-3.82;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM442779;MM442779;C=CC=C1CC=C(CN)O1;DQMBXQBRXUTJGJ-UHFFFAOYSA-N;137.18;1.32;;;;;DOPC;MDCG;27;1;"MARTINI bead: SP2_SC5";;;;;;;0.54;;-2.51;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM442780;MM442780;C=C1C(CO)=CCC1=CF;IZUHFSFMLMZUBF-UHFFFAOYSA-N;140.16;1.72;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNda_SC5";;;;;;;1.64;;0.05;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM442781;MM442781;CNCC(C)C1NC1CF;MNDOACJQCULTLM-UHFFFAOYSA-N;146.21;0.15;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_SP1";;;;;;;0.04;;-5.51;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM442782;MM442782;CN=c1oc(C=O)nn1C;GIYBYBZSQZHIDQ-UHFFFAOYSA-N;141.13;-0.64;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP2_SP2";;;;;;;-1.34;;-4.31;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM442783;MM442783;C=CC=C1CC=C(CO)O1;NQMRUGGOKSLDKI-UHFFFAOYSA-N;138.17;1.35;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP1_SC5";;;;;;;0.81;;-0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM442784;MM442784;C=C1C(=CC)CC=C1OC;DDOPJIDAUYMDNR-UHFFFAOYSA-N;136.19;2.42;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC4_SC3";;;;;;;3.9;;0.47;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM442785;MM442785;CCNC(C)C1NC1CC;DGALTDOUWSUMDI-UHFFFAOYSA-N;142.25;0.73;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_SNd";;;;;;;0.87;;-4.4;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM442786;MM442786;CN=c1oc(C#N)nn1C;PSZIDNNMHZQZHH-UHFFFAOYSA-N;138.13;-0.58;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP2_SP1";;;;;;;-1.06;;-3.82;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM442787;MM442787;C=CC=C1CC=C(CF)O1;HLKCBZVWRTZBNS-UHFFFAOYSA-N;140.16;2.33;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNa_SC5";;;;;;;1.64;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM442788;MM442788;C=C1C(=CF)CC=C1OC;PXKIHADRDDTPMW-UHFFFAOYSA-N;140.16;2.33;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC5_SC4";;;;;;;2.97;;0.45;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM442789;MM442789;CCC1OC1C(C)CCN;HWDRTIGRIDNBFG-UHFFFAOYSA-N;143.23;1.15;;;;;DOPC;MDCG;27;1;"MARTINI bead: SNa_Nd";;;;;;;0.87;;-4.66;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM442790;MM442790;C#CC1NC1C(=O)CC;WPVYIWBLWNBWRI-UHFFFAOYSA-N;123.16;-0.06;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_SP3";;;;;;;-1.1;;-4.2;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM442791;MM442791;C=NN=C1CC=C(CN)O1;HQFMFYHATVDYSL-UHFFFAOYSA-N;139.16;0.26;;;;;DOPC;MDCG;27;1;"MARTINI bead: SP2_SNa";;;;;;;-0.24;;-4.47;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM442792;MM442792;C=C1C(CC)=CCC1=NN;KXOZSSJVDAWTCO-UHFFFAOYSA-N;136.2;1.6;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC2_SC5";;;;;;;3.6;;0.34;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM442793;MM442793;CCCC(O)C1OC1CC;ZECMELCWJOXUIR-UHFFFAOYSA-N;144.21;1.32;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda_SNa";;;;;;;0.87;;-1.99;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM442794;MM442794;C=Cc1nn(C)c(=NO)o1;XINUKWSFUCIFRO-UHFFFAOYSA-N;141.13;-0.05;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP1_SP2";;;;;;;-1.06;;-3.82;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM442795;MM442795;CCC1OCC(=NN)O1;PWSWDJRDGDBJMZ-UHFFFAOYSA-N;130.15;0.04;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNa_SP2";;;;;;;-0.24;;-3.24;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM442796;MM442796;C=C1C(CF)=CCC1=NN;IEEQBHVUJUXAHY-UHFFFAOYSA-N;140.16;1.16;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNd_SC5";;;;;;;1.64;;0.02;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM442797;MM442797;CCCC(O)C1OC1CN;ZEIJRKPAGCWUOM-UHFFFAOYSA-N;145.2;-0.13;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nda_SP2";;;;;;;-0.24;;-5.01;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM442798;MM442798;C=Cc1nn(N)c(=NC)o1;ROGUROKWEHDACM-UHFFFAOYSA-N;140.15;-0.64;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP2_SP1";;;;;;;-1.06;;-3.82;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM442799;MM442799;N#CC=C1NN=C(CO)O1;XFRQFYDJJFDBDF-UHFFFAOYSA-N;139.11;-0.72;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP2_SNda";;;;;;;-0.24;;-3.31;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM442800;MM442800;C#CC1(C)NC1C(=O)C=C;MGTKXSLONMRIQD-UHFFFAOYSA-N;135.17;0.11;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP1_Na";;;;;;;0.04;;-2.54;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM442801;MM442801;CCC1OC1C(C)CNC;GESYQHWLIVICMM-UHFFFAOYSA-N;143.23;1.02;;;;;DOPC;MDCG;27;1;"MARTINI bead: SNa_Nd";;;;;;;0.87;;-4.92;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM442802;MM442802;Cc1nocnc1=NN;OHURIALMALAZJK-UHFFFAOYSA-N;126.12;-0.85;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP3_SP2";;;;;;;-2.2;;-5.19;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM442803;MM442803;N#CC=C1NN=C(CF)O1;DRCATRZEMJSTAY-UHFFFAOYSA-N;141.11;0.25;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP1_SNda";;;;;;;0.04;;-2.73;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM442804;MM442804;C=C1C(CN)=CCC1=NO;BKJYMFRZQMSRST-UHFFFAOYSA-N;138.17;0.66;;;;;DOPC;MDCG;27;1;"MARTINI bead: SNd_SNda";;;;;;;0.87;;-4.08;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM442805;MM442805;CC(CC#N)C1CC1CF;RZNCHXAUYYJCGU-UHFFFAOYSA-N;141.19;2.14;;;;;DOPC;MDCG;27;0;"MARTINI bead: N0_SC5";;;;;;;1.94;;0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM442806;MM442806;C=Cc1nn(N)c(=NO)o1;RVICGLBYDMBFOX-UHFFFAOYSA-N;142.12;-0.88;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP1_SP3";;;;;;;-1.93;;-4.72;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM442807;MM442807;C=NN=c1occ(CC)o1;HYZPMXKZCQUSIJ-UHFFFAOYSA-N;140.14;0.95;;;;;DOPC;MDCG;27;0;"MARTINI bead: SN0_P2";;;;;;;0.06;;-2.21;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM442808;MM442808;C=C1C(CC)=CN=C1NC;ROOALUJICOVITJ-UHFFFAOYSA-N;136.2;1.47;;;;;DOPC;MDCG;27;1;"MARTINI bead: SC4_SNd";;;;;;;2.2;;-2.21;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM442809;MM442809;C=CCC(F)C1CC1CN;XLFLBFBCZLYSJP-UHFFFAOYSA-N;143.21;1.5;;;;;DOPC;MDCG;27;1;"MARTINI bead: SNd_C5";;;;;;;1.64;;-2.7;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM442810;MM442810;CC(=NN)OCC(C)(C)F;MXYRNLLMTCBLEG-UHFFFAOYSA-N;148.18;1.04;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_C4";;;;;;;1.09;;-0.38;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM442811;MM442811;C=NN=c1occ(CN)o1;MLCXXFMUFQQNPR-UHFFFAOYSA-N;141.13;-0.15;;;;;DOPC;MDCG;27;1;"MARTINI bead: SP2_P2";;;;;;;-1.34;;-5.66;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM442812;MM442812;C=C1C(CF)=CNC1=NC;CNDVSMMNTLCOQE-UHFFFAOYSA-N;140.16;1.03;;;;;DOPC;MDCG;27;1;"MARTINI bead: SNd_SNa";;;;;;;0.87;;-3.96;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM442813;MM442813;C=CCC(F)C1CC1CO;UIRZGHACBVQDMM-UHFFFAOYSA-N;144.19;1.53;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNda_C5";;;;;;;1.64;;0.05;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM442814;MM442814;C=NOCC(C)(C)C(C)=O;NZMVUCJSDUGWPS-UHFFFAOYSA-N;143.19;1.23;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4_P1";;;;;;;1.37;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM442815;MM442815;C=NN=c1occ(CO)o1;CBZSWWBBGIJIHJ-UHFFFAOYSA-N;142.11;-0.12;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP2_P2";;;;;;;-1.34;;-4.31;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM442816;MM442816;C=C1C(CC)=CN=C1NN;VGOSCRPIRQESHG-UHFFFAOYSA-N;137.19;0.71;;;;;DOPC;MDCG;27;1;"MARTINI bead: SC4_SP1";;;;;;;1.37;;-1.1;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM442817;MM442817;C=CCC(F)C1CC1CF;GIVUPJKRPMFAGG-UHFFFAOYSA-N;146.18;2.51;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC5_C5";;;;;;;2.41;;0.64;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM442818;MM442818;C=CC=C1CCC(C)(O)C1;LDIPZSVNVICSQO-UHFFFAOYSA-N;138.21;2.03;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNda_SC2";;;;;;;2.83;;0.57;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM442819;MM442819;C=NN=c1occ(NC)o1;SBUZNVGNUZPHHJ-UHFFFAOYSA-N;141.13;0.43;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP2_P2";;;;;;;-1.34;;-4.31;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM442820;MM442820;C=CC(=O)CN(C=O)NC;VMPNJRUUJLCPCP-UHFFFAOYSA-N;142.16;-0.67;;;;;DOPC;MDCG;27;0;"MARTINI bead: P3_Na";;;;;;;-1.1;;-4.2;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM442821;MM442821;CCC1CC1C(C)NC=N;BOCSJMCNSQBJQI-UHFFFAOYSA-N;140.23;1.62;;;;;DOPC;MDCG;27;1;"MARTINI bead: SC3_P2";;;;;;;1.46;;-4.13;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM442822;MM442822;C=Cc1nn(O)c(=NN)o1;FXTUCTRHYSSJTQ-UHFFFAOYSA-N;142.12;-0.87;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP2_SP1";;;;;;;-1.06;;-3.82;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM442823;MM442823;C=NN=c1occ(OC)o1;ILPFUFKZWCCEJG-UHFFFAOYSA-N;142.11;0.4;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP2_P2";;;;;;;-1.34;;-4.31;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM442824;MM442824;C=c1c(OC)coc1=CF;WSDAIRFVHRDGQL-UHFFFAOYSA-N;142.13;0.41;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNa_SNa";;;;;;;0.87;;-2.22;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM442825;MM442825;CC(NC=N)C1CC1CN;DWZDONRBQKULII-UHFFFAOYSA-N;141.22;0.17;;;;;DOPC;MDCG;27;1;"MARTINI bead: P2_SNd";;;;;;;-0.24;;-7.3;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM442826;MM442826;C#CC1=CC(C)C(=CC)C1;UEUTUOTYOWQUDQ-UHFFFAOYSA-N;132.21;2.53;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC2_SC5";;;;;;;3.6;;0.34;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM442827;MM442827;C=NN=c1onc(CC)o1;LEXWQALVHGNIOX-UHFFFAOYSA-N;141.13;0.35;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP1_P2";;;;;;;-1.06;;-3.82;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM442828;MM442828;C=CC1=CCC(=CC)C1=C;QTKCNNQGIRHTNJ-UHFFFAOYSA-N;132.21;3.01;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC3_SC3";;;;;;;4.27;;0.2;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM442829;MM442829;CNC1CC1C(C)CC#N;ARWFLOCRAZBAQI-UHFFFAOYSA-N;138.21;1.14;;;;;DOPC;MDCG;27;1;"MARTINI bead: SNd_N0";;;;;;;1.17;;-3.82;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM442830;MM442830;C#CC1=CC(C)C(=NC)N1;BGIHRGCHXJLBFE-UHFFFAOYSA-N;134.18;0.77;;;;;DOPC;MDCG;27;1;"MARTINI bead: SN0_SNd";;;;;;;1.17;;-3.22;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM442831;MM442831;C=CC1OCC(=NN)O1;HZKRXDSUPMHUJU-UHFFFAOYSA-N;128.13;-0.18;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP2_SNa";;;;;;;-0.24;;-3.24;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM442832;MM442832;C=C1C(C=O)=CCC1=CC;PQRFFCLRYZESGV-UHFFFAOYSA-N;134.18;2.02;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC3_SC5";;;;;;;3.34;;0.48;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM442833;MM442833;C=CCC(C)C1CC1OC;AXBGAFKUGFJWNA-UHFFFAOYSA-N;140.23;2.23;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNa_C1";;;;;;;2.91;;0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM442834;MM442834;C#CC1=CC(C)C(=CC)O1;GOOZWCNESMPXSJ-UHFFFAOYSA-N;134.18;2.07;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC4_SNa";;;;;;;2.2;;0.34;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM442835;MM442835;C=NN=c1onc(OC)o1;QWITUCYRZPOSTM-UHFFFAOYSA-N;143.1;-0.21;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP2_P2";;;;;;;-1.34;;-4.31;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM442836;MM442836;C=C1C(C#N)=CCC1=CC;ALGWRRUNEDQOSP-UHFFFAOYSA-N;131.18;2.34;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC3_SC5";;;;;;;3.34;;0.48;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM442837;MM442837;C=CCC(O)C1CC1OC;JSLGQZRWCKMCKU-UHFFFAOYSA-N;142.2;0.96;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNa_Nda";;;;;;;0.87;;-1.99;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM442838;MM442838;C#CC=C1CC=C(CC)C1;HKIQVCPUCHHXNP-UHFFFAOYSA-N;132.21;2.68;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC2_SC4";;;;;;;4.16;;0.44;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM442839;MM442839;C#Cc1cn(C)c(=NC)[nH]1;KAEIEPGYHVXAKG-UHFFFAOYSA-N;135.17;-0.14;;;;;DOPC;MDCG;27;1;"MARTINI bead: SNd_SNd";;;;;;;0.87;;-5.18;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM442840;MM442840;C=C1C(C=O)=CNC1=NC;HGDGLLCIVLDEIJ-UHFFFAOYSA-N;136.15;0.26;;;;;DOPC;MDCG;27;1;"MARTINI bead: SNd_SP1";;;;;;;0.04;;-3.84;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM442841;MM442841;C=CCC(C)C1NC1CN;SDCMZDZUAHKMPE-UHFFFAOYSA-N;140.23;0.5;;;;;DOPC;MDCG;27;1;"MARTINI bead: C1_SP2";;;;;;;1.8;;-0.85;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM442842;MM442842;C#CC=C1CC=C(CN)C1;BMJBGGQUUDXGOO-UHFFFAOYSA-N;133.19;1.22;;;;;DOPC;MDCG;27;1;"MARTINI bead: SNd_SC4";;;;;;;2.2;;-1.66;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM442843;MM442843;C#Cc1cn(C)c(=NN)[nH]1;PJAIVLGOTXWLAQ-UHFFFAOYSA-N;136.16;-0.89;;;;;DOPC;MDCG;27;1;"MARTINI bead: SNd_SP2";;;;;;;-0.24;;-4.71;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM442844;MM442844;C#CC1=CCC(=CC)C1=C;FENHGJCAAMXXRT-UHFFFAOYSA-N;130.19;2.45;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC3_SC5";;;;;;;3.34;;0.48;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM442845;MM442845;CCC1OC1C(C)CC=O;XNJUAPHACXLCCB-UHFFFAOYSA-N;142.2;1.39;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNa_C5";;;;;;;1.64;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM442846;MM442846;NN=C1CCN(C=O)O1;JLBQRXDFUKRGGA-UHFFFAOYSA-N;129.12;-0.95;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP2_SP2";;;;;;;-1.34;;-4.31;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM442847;MM442847;CC1(O)CCC(=CC=O)C1;WXQFDTCZCGGYFA-UHFFFAOYSA-N;140.18;1.05;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNda_SC5";;;;;;;1.64;;0.05;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM442848;MM442848;CN=C(C=O)N=C(N)CF;JLLAWBKCLWVMJZ-UHFFFAOYSA-N;145.14;-0.46;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_P2";;;;;;;-0.24;;-3.24;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM442849;MM442849;C=CCC(C)C1OC1CN;JDDXBQIZNSCHSB-UHFFFAOYSA-N;141.21;0.92;;;;;DOPC;MDCG;27;1;"MARTINI bead: C1_SP2";;;;;;;1.8;;-0.89;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM442850;MM442850;C#CC=C1CC=C(CF)C1;IWXUDLOVXHUJOH-UHFFFAOYSA-N;136.17;2.24;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC5_SC4";;;;;;;2.97;;0.45;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM442851;MM442851;C#Cc1cn(N)c(=NC)[nH]1;JYJSWUULXQLDRO-UHFFFAOYSA-N;136.16;-0.96;;;;;DOPC;MDCG;27;1;"MARTINI bead: SP2_SNd";;;;;;;-0.24;;-5.61;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM442852;MM442852;C#CC1=CCC(=NO)C1=C;PCUPBFNMVLKJLY-UHFFFAOYSA-N;133.15;1.34;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNda_SC5";;;;;;;1.64;;0.05;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM442853;MM442853;CCN1CC1C(C)CC#N;ARPHMQNFEMCBSJ-UHFFFAOYSA-N;138.21;1.24;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNd_N0";;;;;;;1.17;;-1.04;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM442854;MM442854;C#CC=C1CC=C(OC)C1;CBEXKKWFVDRZNF-UHFFFAOYSA-N;134.18;1.87;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC5_SC4";;;;;;;2.97;;0.45;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM442855;MM442855;N=C(C=NN)NC=C(F)F;LLSCUDFGOZLUHD-UHFFFAOYSA-N;148.12;0.24;;;;;DOPC;MDCG;27;0;"MARTINI bead: P3_C4";;;;;;;0.23;;-1.03;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM442856;MM442856;C#CC1=CNC(=NC)C1=C;GPRBPWJAGSUCNT-UHFFFAOYSA-N;132.17;0.69;;;;;DOPC;MDCG;27;1;"MARTINI bead: SNd_SP1";;;;;;;0.04;;-4.15;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM442857;MM442857;C#CCC(C)C1CC1CC;XPVDBLLRDFUSEK-UHFFFAOYSA-N;136.24;2.69;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC3_C3";;;;;;;4.27;;0.2;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM442858;MM442858;C#CC=C1CC(CC)=CO1;TYIPFQCAXQREKT-UHFFFAOYSA-N;134.18;2.22;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC5_SC5";;;;;;;2.41;;0.64;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM442859;MM442859;C#Cc1cn(O)c(=NO)[nH]1;HZJYSCZHCLSUQK-UHFFFAOYSA-N;139.11;-0.68;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP3_SNd";;;;;;;-1.1;;-3.93;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM442860;MM442860;C#CC1=CNC(=NO)C1=C;UFVLWXKBYJTJRN-UHFFFAOYSA-N;134.14;0.45;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP1_SP1";;;;;;;-0.79;;-3.13;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM442861;MM442861;C#CCC(C)C1CC1CN;AKHHWLSZGKVBDS-UHFFFAOYSA-N;137.23;1.24;;;;;DOPC;MDCG;27;1;"MARTINI bead: C3_SNd";;;;;;;2.57;;-1.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM442862;MM442862;C#CC=C1CC(CN)=CO1;LRJNLZHOJCDYJE-UHFFFAOYSA-N;135.17;0.77;;;;;DOPC;MDCG;27;1;"MARTINI bead: SP1_SC5";;;;;;;0.81;;-2.65;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM442863;MM442863;CN=C1N=NC(=CO)O1;JYWWJOAVOUZNSG-UHFFFAOYSA-N;127.1;0.81;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNa_SP1";;;;;;;0.04;;-7.91;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM442864;MM442864;CC(F)=CCC(CF)=NN;FSBJIWLISRSCAV-UHFFFAOYSA-N;148.16;1.53;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_Nda";;;;;;;1.64;;0.05;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM442865;MM442865;CC=NNC(=N)C1CN1;ZVEMOWJHLXERTR-UHFFFAOYSA-N;126.16;-0.47;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_SP2";;;;;;;-1.06;;-3.82;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM442866;MM442866;C#CC=C1CC(CO)=CO1;BDLISHZASBRMOZ-UHFFFAOYSA-N;136.15;0.8;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP1_SC5";;;;;;;0.81;;-0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM442867;MM442867;CC(=NN)OCCC(F)F;YESJWBRMQNTYMM-UHFFFAOYSA-N;152.14;0.95;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_C5";;;;;;;0.54;;-1.09;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM442868;MM442868;C#Cc1coc(=CC)c1=C;LRJHRSSTQQTDMO-UHFFFAOYSA-N;132.16;0.47;;;;;DOPC;MDCG;27;0;"MARTINI bead: SN0_SC5";;;;;;;1.94;;0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM442869;MM442869;C#CCC(C)C1CC1CF;PHVZMKZBBSQNFM-UHFFFAOYSA-N;140.2;2.25;;;;;DOPC;MDCG;27;0;"MARTINI bead: C3_SC5";;;;;;;3.34;;0.48;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM442870;MM442870;C#CC=C1CC(CF)=CO1;LDGGXBUYSSWURT-UHFFFAOYSA-N;138.14;1.78;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNa_SC5";;;;;;;1.64;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM442871;MM442871;C#Cc1cn(C)c(=NO)o1;IUUGVVSXXADMMX-UHFFFAOYSA-N;138.13;-0.11;;;;;DOPC;MDCG;27;0;"MARTINI bead: SN0_SP1";;;;;;;0.34;;-1.53;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM442872;MM442872;CNN=CC(F)C=NNC;XOBIFOPMJUSNFT-UHFFFAOYSA-N;146.17;-0.27;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda_P2";;;;;;;-0.24;;-3.31;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM442873;MM442873;C#CCC(N)C1CC1CC;DKUOLNZGZBULCL-UHFFFAOYSA-N;137.23;1.38;;;;;DOPC;MDCG;27;1;"MARTINI bead: SC3_Nd";;;;;;;2.57;;-1.46;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM442874;MM442874;C#CC=C1CC(OC)=CO1;YAGBSZFFMPZOEF-UHFFFAOYSA-N;136.15;1.41;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNa_SC5";;;;;;;1.64;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM442875;MM442875;C#Cc1cn(N)c(=NC)o1;HQGCFULBOOAWQY-UHFFFAOYSA-N;137.14;-0.69;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP1_SN0";;;;;;;0.34;;-1.53;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM442876;MM442876;CCC1=CC=C(CN)C1C;HLNJKXOUIXOULS-UHFFFAOYSA-N;137.23;1.86;;;;;DOPC;MDCG;27;1;"MARTINI bead: SC3_SNd";;;;;;;2.57;;-0.94;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM442877;MM442877;C#CCC(N)C1CC1CN;HJBNRHKRAOREBL-UHFFFAOYSA-N;138.21;-0.07;;;;;DOPC;MDCG;27;1;"MARTINI bead: SNd_Nd";;;;;;;0.87;;-5.18;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM442878;MM442878;C#CC=C1CNC(CC)=N1;MNXNPIQVWVDLIV-UHFFFAOYSA-N;134.18;0.92;;;;;DOPC;MDCG;27;1;"MARTINI bead: SNd_SP1";;;;;;;0.04;;-4.54;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM442879;MM442879;C=C(C)CCOC(C)=NN;JJRIXFJXMNZGOD-UHFFFAOYSA-N;142.2;1.26;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1_P2";;;;;;;1.8;;0.4;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM442880;MM442880;CCC1=CC=C(CO)C1C;OWEANGRIMKKFEX-UHFFFAOYSA-N;138.21;1.89;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC3_SNda";;;;;;;2.57;;0.44;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM442881;MM442881;C#CCC(O)C1CC1CO;MBWFPTYWSMJHND-UHFFFAOYSA-N;140.18;;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNda_Nda";;;;;;;0.87;;-2.07;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM442882;MM442882;C#CC=C1CNC(CN)=N1;VRJMUNHVHHPIMN-UHFFFAOYSA-N;135.17;-0.54;;;;;DOPC;MDCG;27;1;"MARTINI bead: SP2_SP1";;;;;;;-1.06;;-4.95;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM442883;MM442883;C#Cc1cn(N)c(=NO)o1;FVDQUAHOSBAVOJ-UHFFFAOYSA-N;139.11;-0.93;;;;;DOPC;MDCG;27;0;"MARTINI bead: SN0_SP2";;;;;;;0.06;;-2.21;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM442884;MM442884;CC1C(CN)=CC=C1CN;HXIRFIXRHFBECY-UHFFFAOYSA-N;138.21;0.41;;;;;DOPC;MDCG;27;1;"MARTINI bead: SNd_SNd";;;;;;;0.87;;-4.63;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM442885;MM442885;C#CCC(F)C1CC1CF;MKODFHASDOLZKB-UHFFFAOYSA-N;144.16;1.95;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC5_Na";;;;;;;1.64;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM442886;MM442886;C#CC=C1CNC(CF)=N1;CSSOOADUCJNFIF-UHFFFAOYSA-N;138.15;0.47;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNda_SP1";;;;;;;0.04;;-2.73;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM442887;MM442887;C=C(F)CCOC(C)=NN;GSRUOLPPGQDRIJ-UHFFFAOYSA-N;146.17;1.17;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda_C5";;;;;;;1.64;;0.05;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM442888;MM442888;CC1C(CN)=CC=C1CF;QRTRKGUKJNAPJZ-UHFFFAOYSA-N;141.19;1.42;;;;;DOPC;MDCG;27;1;"MARTINI bead: SNd_SC5";;;;;;;1.64;;-2.11;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM442889;MM442889;C#CCC(N)C1CC1NC;VOKOOCRZYQDCQB-UHFFFAOYSA-N;138.21;-0.06;;;;;DOPC;MDCG;27;1;"MARTINI bead: SNd_Nd";;;;;;;0.87;;-4.83;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM442890;MM442890;C#CC=C1CN=C(NC)N1;PHZJKCJLLXUUME-UHFFFAOYSA-N;135.17;-0.32;;;;;DOPC;MDCG;27;1;"MARTINI bead: SP1_SNd";;;;;;;0.04;;-5.89;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM442891;MM442891;CCC1(C)CC(C)C(O)C1;SGMYIJJSZNXZKI-UHFFFAOYSA-N;142.24;2.19;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC1_SNda";;;;;;;2.91;;0.57;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM442892;MM442892;NC1C(CO)=CC=C1CO;XISBLIAFWHNEJV-UHFFFAOYSA-N;141.17;-0.84;;;;;DOPC;MDCG;27;1;"MARTINI bead: SP1_SNda";;;;;;;0.04;;-3.94;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM442893;MM442893;C#CCC(C)C1CC1OC;BJGJPAOGFWNUEY-UHFFFAOYSA-N;138.21;1.68;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNa_C3";;;;;;;2.57;;0.45;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM442894;MM442894;C#CC=C1CN=C(NN)N1;MSNNXGRZJKKWPU-UHFFFAOYSA-N;136.16;-1.07;;;;;DOPC;MDCG;27;1;"MARTINI bead: SP2_SNd";;;;;;;-0.24;;-5.68;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM442895;MM442895;C#Cc1nn(C)c(=NC)o1;HTXLISPHSJXZBC-UHFFFAOYSA-N;137.14;-0.48;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP2_SP1";;;;;;;-1.06;;-3.82;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM442896;MM442896;NC1C(CO)=CC=C1CF;BRQUJYTWUARFAZ-UHFFFAOYSA-N;143.16;0.14;;;;;DOPC;MDCG;27;1;"MARTINI bead: SNda_SNda";;;;;;;0.87;;-3.57;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM442897;MM442897;C#CCN(C)C1CC1CC;ZSLOWAHTPYLPQP-UHFFFAOYSA-N;137.23;1.35;;;;;DOPC;MDCG;27;1;"MARTINI bead: SC3_Nd";;;;;;;2.57;;-0.07;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM442898;MM442898;C#CC=C1CN=C(NO)N1;LGXLDLAITWOXGN-UHFFFAOYSA-N;137.14;-0.56;;;;;DOPC;MDCG;27;1;"MARTINI bead: SP2_SNd";;;;;;;-0.24;;-4.22;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM442899;MM442899;C=CC1(O)CC(=C)C(=C)C1;GDECNVWUPLGBOV-UHFFFAOYSA-N;136.19;1.81;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC5_SC4";;;;;;;2.97;;0.45;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM442900;MM442900;COC1=CC=C(CN)C1C;WXISWJGOAXRGQY-UHFFFAOYSA-N;139.2;1.05;;;;;DOPC;MDCG;27;1;"MARTINI bead: SC5_SNd";;;;;;;1.64;;-2.11;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM442901;MM442901;C#CCC(N)C1NC1CO;WYHIGDLPIIXRME-UHFFFAOYSA-N;140.19;-1.33;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_SP2";;;;;;;-0.24;;-4.75;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM442902;MM442902;C#CC=C1CN=C(OC)N1;QLTYJIZUYUOHIK-UHFFFAOYSA-N;136.15;0.11;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP1_SNd";;;;;;;0.04;;-2.63;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM442903;MM442903;C#Cc1nn(N)c(=NC)o1;XKXXZSSZOGYGDV-UHFFFAOYSA-N;138.13;-1.3;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP2_SP1";;;;;;;-1.06;;-3.82;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM442904;MM442904;COC1=CC=C(CF)C1C;HKIFLDLABCSPLN-UHFFFAOYSA-N;142.17;2.06;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC5_SC5";;;;;;;2.41;;0.64;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM442905;MM442905;C=NNC(C#N)C(C)(C)F;DZHBYCJQUJPTSK-UHFFFAOYSA-N;143.17;0.83;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_P1";;;;;;;0.81;;-0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM442906;MM442906;C#CC=C1CC=C(CC)O1;AXRSZHHNFQXEKM-UHFFFAOYSA-N;134.18;2.22;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC5_SC5";;;;;;;2.41;;0.64;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM442907;MM442907;CC=CC(=O)CNN=CC;VNVLKQOQIIKGGK-UHFFFAOYSA-N;140.19;0.73;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_Nd";;;;;;;0.87;;-1.88;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM442908;MM442908;CCC1=NN=C(CO)C1C;DYGFEVOSNXNHAS-UHFFFAOYSA-N;140.19;0.84;;;;;DOPC;MDCG;27;0;"MARTINI bead: SN0_SNda";;;;;;;1.17;;-1.13;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM442909;MM442909;C#CCC(C)C1OC1CC;DRNPUKUMPOTPKJ-UHFFFAOYSA-N;138.21;1.82;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNa_C3";;;;;;;2.57;;0.45;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM442910;MM442910;C#CC=C1CC=C(CN)O1;NSBPQVCYHVWNAQ-UHFFFAOYSA-N;135.17;0.77;;;;;DOPC;MDCG;27;1;"MARTINI bead: SP2_SC5";;;;;;;0.54;;-2.51;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM442911;MM442911;N=c1c(N)cc(N)nn1N;BJXHDFOXMQKGRG-UHFFFAOYSA-N;140.15;-1.76;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP1_SP3";;;;;;;-1.93;;-4.72;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM442912;MM442912;CCC1=NN=C(CF)C1C;JMNTZFZZAZZDRZ-UHFFFAOYSA-N;142.18;1.81;;;;;DOPC;MDCG;27;0;"MARTINI bead: SN0_SNa";;;;;;;1.17;;-1.18;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM442913;MM442913;C#CCC(C)N1CC1CN;VSNWMGJEFDNWAP-UHFFFAOYSA-N;138.21;0.04;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_SP2";;;;;;;-0.24;;-5.1;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM442914;MM442914;C#CC=C1CC=C(CO)O1;CXFBURPYAUTDLF-UHFFFAOYSA-N;136.15;0.8;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP1_SC5";;;;;;;0.81;;-0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM442915;MM442915;C#Cc1nn(O)c(=NN)o1;SSKZCJWYWSYLKZ-UHFFFAOYSA-N;140.1;-1.53;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP2_SP1";;;;;;;-1.06;;-3.82;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM442916;MM442916;CC1C(CN)=NN=C1CN;HNDAGGBRBRCPFH-UHFFFAOYSA-N;140.19;-0.65;;;;;DOPC;MDCG;27;1;"MARTINI bead: SNd_SP1";;;;;;;0.04;;-3.65;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM442917;MM442917;C=CC1CC1C(N)CCN;VJOMBDJSISZLSW-UHFFFAOYSA-N;140.23;0.48;;;;;DOPC;MDCG;27;1;"MARTINI bead: P3_SC4";;;;;;;0.23;;-3.88;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM442918;MM442918;C#CC=C1CC=C(CF)O1;JLQOELGGNVUVAJ-UHFFFAOYSA-N;138.14;1.78;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNa_SC5";;;;;;;1.64;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM442919;MM442919;C=c1cc(CC)oc1=CC;HUTZWUOGVDPVAS-UHFFFAOYSA-N;136.19;1.05;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC4_SC5";;;;;;;2.97;;0.45;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM442920;MM442920;CC1C(CO)=NN=C1CO;VZFNTBJFKQUMSQ-UHFFFAOYSA-N;142.16;-0.58;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNda_SNda";;;;;;;0.87;;-2.07;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM442921;MM442921;CC#CC(F)(F)C(=N)NN;GSELWMPNQIEKHE-UHFFFAOYSA-N;147.13;0.09;;;;;DOPC;MDCG;27;0;"MARTINI bead: N0_P1";;;;;;;0.34;;-1.53;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM442922;MM442922;C=CC1=CCC(=CCC)C1;ZJRYOSVRTXLHKG-UHFFFAOYSA-N;134.22;3.23;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC1_SC3";;;;;;;4.61;;0.31;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM442923;MM442923;C=c1cc(CN)oc1=CC;RMFAOVCRLCIIMJ-UHFFFAOYSA-N;137.18;-0.05;;;;;DOPC;MDCG;27;1;"MARTINI bead: SC5_SP1";;;;;;;0.81;;-1.91;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM442924;MM442924;CCC1=NN=C(OC)C1C;GPTGFAPTXWENFJ-UHFFFAOYSA-N;140.19;1.45;;;;;DOPC;MDCG;27;0;"MARTINI bead: SN0_SNa";;;;;;;1.17;;-1.18;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM442925;MM442925;CCCC(O)C1CC1C=O;BBWQMMKEBHXBEG-UHFFFAOYSA-N;142.2;0.98;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda_SNa";;;;;;;0.87;;-1.99;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM442926;MM442926;C=CC1=CCC(=CCN)C1;RQVBZZXOXDYWRZ-UHFFFAOYSA-N;135.21;1.78;;;;;DOPC;MDCG;27;1;"MARTINI bead: SNd_SC3";;;;;;;2.57;;-0.97;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM442927;MM442927;C=c1cc(CO)oc1=CC;RBCFCEKNJAFFIK-UHFFFAOYSA-N;138.17;-0.02;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC5_SNda";;;;;;;1.64;;0.05;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM442928;MM442928;COC1=NN=C(CN)C1C;JKUGAUBIXCRGLA-UHFFFAOYSA-N;141.17;;;;;;DOPC;MDCG;27;1;"MARTINI bead: SNa_SP1";;;;;;;0.04;;-3.65;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM442929;MM442929;C=CC1NC1C(N)CCN;MDDAQDASWVYQHM-UHFFFAOYSA-N;141.22;-0.81;;;;;DOPC;MDCG;27;1;"MARTINI bead: P3_SP1";;;;;;;-1.93;;-7.22;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM442930;MM442930;C=CC1=CCC(=CCO)C1;XNRHMYOCZSBPRT-UHFFFAOYSA-N;136.19;1.81;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNda_SC3";;;;;;;2.57;;0.44;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM442931;MM442931;C=c1cc(CF)oc1=CC;LPJABUYLLRZXES-UHFFFAOYSA-N;140.16;0.96;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC5_SC5";;;;;;;2.41;;0.64;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM442932;MM442932;CCc1ccc(CC)n1C;IAJWEEIAWHLQGA-UHFFFAOYSA-N;137.23;2.15;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC5_SC4";;;;;;;2.97;;0.45;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM442933;MM442933;C=CC1NC1C(N)CNC;XGZHNKYATYKPQR-UHFFFAOYSA-N;141.22;-0.94;;;;;DOPC;MDCG;27;1;"MARTINI bead: P3_SP1";;;;;;;-1.93;;-6.71;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM442934;MM442934;CCC=C1CC=C(C=O)C1;DCZLNBREALTKOR-UHFFFAOYSA-N;136.19;2.24;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC1_SNa";;;;;;;2.91;;0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM442935;MM442935;C=c1cc(CC)oc1=CF;DJJWFGDFKIJTSM-UHFFFAOYSA-N;140.16;0.96;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC4_SNa";;;;;;;2.2;;0.34;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM442936;MM442936;CCc1ccc(CN)n1C;BZMDLSSQNNUHRC-UHFFFAOYSA-N;138.21;1.05;;;;;DOPC;MDCG;27;1;"MARTINI bead: SC5_SNd";;;;;;;1.64;;-1.32;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM442937;MM442937;CCNC(C)C1NC1C#N;CBPRLTXGOYXCGW-UHFFFAOYSA-N;139.2;-0.15;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_SP2";;;;;;;-0.24;;-4.44;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM442938;MM442938;CCC=C1CC=C(C#N)C1;MBQIXGCNQZQLNS-UHFFFAOYSA-N;133.19;2.57;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC1_SN0";;;;;;;3.21;;0.46;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM442939;MM442939;C=c1cc(CN)oc1=CF;DFNPRRDRKXSIAC-UHFFFAOYSA-N;141.15;-0.14;;;;;DOPC;MDCG;27;1;"MARTINI bead: SP1_SNa";;;;;;;0.04;;-3.95;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM442940;MM442940;CCc1ccc(CO)n1C;RFJDRWFDSQKURI-UHFFFAOYSA-N;139.2;1.08;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC5_SNda";;;;;;;1.64;;0.05;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM442941;MM442941;CNCC(C)C1OC1C#N;UBHDCKFGLIYQTF-UHFFFAOYSA-N;140.19;0.13;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_SP1";;;;;;;0.04;;-5.66;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM442942;MM442942;O=CC1=CCC(=CCO)C1;JOHQLJNPELDFNL-UHFFFAOYSA-N;138.17;0.82;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNda_SNa";;;;;;;0.87;;-1.99;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM442943;MM442943;C=c1cc(CO)oc1=CF;NXEFVINMLKZPJQ-UHFFFAOYSA-N;142.13;-0.11;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNda_SNa";;;;;;;0.87;;-1.99;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM442944;MM442944;CCc1ccc(CF)n1C;NPHKNVASGVYIND-UHFFFAOYSA-N;141.19;2.06;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC5_SNa";;;;;;;1.64;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM442945;MM442945;CC(CCN)C1CN1C=N;FFSAXBHFPZNRCB-UHFFFAOYSA-N;141.22;0.26;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_SP2";;;;;;;-0.24;;-6.42;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM442946;MM442946;N#CC1=CCC(=CCO)C1;GSNWWUFFJCUVAZ-UHFFFAOYSA-N;135.17;1.15;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNda_SN0";;;;;;;1.17;;-1.13;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM442947;MM442947;C=c1cc(CF)oc1=CF;JZCXEMAQRRKWTL-UHFFFAOYSA-N;144.12;0.87;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC5_SNa";;;;;;;1.64;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM442948;MM442948;Cn1c(CN)ccc1CN;SKVPUJPWKIAPLV-UHFFFAOYSA-N;139.2;-0.06;;;;;DOPC;MDCG;27;1;"MARTINI bead: SNd_SP1";;;;;;;0.04;;-4.3;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM442949;MM442949;CC(CCO)C1CN1C=O;AEMVAEFLSMLLJW-UHFFFAOYSA-N;143.19;-0.15;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda_SP2";;;;;;;-0.24;;-3.31;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM442950;MM442950;C=CC1=CNC(=NCC)C1;MOSGFJQCEQMMIX-UHFFFAOYSA-N;136.2;1.47;;;;;DOPC;MDCG;27;1;"MARTINI bead: SNd_SN0";;;;;;;1.17;;-3.86;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM442951;MM442951;C=CC1=CC(=C)C(=CC)C1;OXSDFOOUXSJJSS-UHFFFAOYSA-N;132.21;3.01;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC2_SC3";;;;;;;4.53;;0.32;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM442952;MM442952;Cn1c(CN)ccc1CO;RAQCASKSEYOXPN-UHFFFAOYSA-N;140.19;-0.02;;;;;DOPC;MDCG;27;1;"MARTINI bead: SNd_SNda";;;;;;;0.87;;-3.28;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM442953;MM442953;C=CCC(C)C1CC1C=C;BQGQXZSJQOFAGL-UHFFFAOYSA-N;136.24;3.02;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1_SC4";;;;;;;4.24;;0.42;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM442954;MM442954;CCN=C1CC(C=O)=CN1;KPYPBTAUPSFDQB-UHFFFAOYSA-N;138.17;0.48;;;;;DOPC;MDCG;27;1;"MARTINI bead: SNd_SP2";;;;;;;-0.24;;-5.05;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM442955;MM442955;C=Cc1cc(=C)c(=CC)o1;UDCVORDTOSEFHT-UHFFFAOYSA-N;134.18;1.13;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC5_SC5";;;;;;;2.41;;0.64;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM442956;MM442956;Cn1c(CN)ccc1CF;HRBIKTNKKSMAKW-UHFFFAOYSA-N;142.18;0.95;;;;;DOPC;MDCG;27;1;"MARTINI bead: SNd_SNa";;;;;;;0.87;;-3.24;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM442957;MM442957;CC(CC#N)C1CC1C=O;BVBNBRQEYIERGP-UHFFFAOYSA-N;137.18;1.37;;;;;DOPC;MDCG;27;0;"MARTINI bead: N0_SNa";;;;;;;1.17;;-1.18;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM442958;MM442958;CCN=C1CC(C#N)=CN1;MXTOIZZAPQHFMF-UHFFFAOYSA-N;135.17;0.81;;;;;DOPC;MDCG;27;1;"MARTINI bead: SNd_SP1";;;;;;;0.04;;-4.21;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM442959;MM442959;C=c1cc(C=O)oc1=CC;OCFRAGRPPUDMPK-UHFFFAOYSA-N;136.15;0.3;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC5_SNa";;;;;;;1.64;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM442960;MM442960;Cn1c(CO)ccc1CO;RGDGIMCTEHQBIH-UHFFFAOYSA-N;141.17;0.01;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNda_SNda";;;;;;;0.87;;-2.07;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM442961;MM442961;N#CCC(O)C1CC1C#N;HISSDALZXQXPFE-UHFFFAOYSA-N;136.15;0.42;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_SN0";;;;;;;0.06;;-2.21;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM442962;MM442962;C#CC1OCC(=NN)O1;LSMGIXHVOBHRJT-UHFFFAOYSA-N;126.12;-0.74;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP2_SP1";;;;;;;-1.06;;-3.82;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM442963;MM442963;C=c1cc(C#N)oc1=CC;IKYZYYXZYHLHSK-UHFFFAOYSA-N;133.15;0.36;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC5_SN0";;;;;;;1.94;;0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM442964;MM442964;C=NN=CC(C#N)NN=C;WVHPKTGMRYJZJN-UHFFFAOYSA-N;137.15;-0.23;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_C5";;;;;;;0.81;;-0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM442965;MM442965;C=CCN(C)C1CC1C#N;WUPOWHQQWFTXML-UHFFFAOYSA-N;136.2;1.02;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nd_SN0";;;;;;;1.17;;-1.04;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM442966;MM442966;CC1=NOC(=NN)CC1;CYQYRDNXKSKFCA-UHFFFAOYSA-N;127.15;0.44;;;;;DOPC;MDCG;27;0;"MARTINI bead: SN0_SNda";;;;;;;1.17;;-1.13;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM442967;MM442967;C=Cc1cc(=C)c(=CF)o1;CFXYYDQKLWGNRB-UHFFFAOYSA-N;138.14;1.04;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNa_SC5";;;;;;;1.64;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM442968;MM442968;CC=NN=C(C#N)C(=N)N;LTVDNIDACWNGED-UHFFFAOYSA-N;137.15;-0.11;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4_P3";;;;;;;0.23;;-1.03;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM442969;MM442969;C=CCC(N)C1NC1C=C;CWRDKLZSEXJKHK-UHFFFAOYSA-N;138.21;0.42;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_SP1";;;;;;;0.04;;-4.81;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM442970;MM442970;CCN=C1CC(C#N)=NN1;HJBOZOVBDNKTCB-UHFFFAOYSA-N;136.16;0.28;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNd_SP1";;;;;;;0.04;;-2.63;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM442971;MM442971;C=c1cc(C=O)oc1=CF;KCEYBIFPAPRANK-UHFFFAOYSA-N;140.11;0.21;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNa_SNa";;;;;;;0.87;;-2.22;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM442972;MM442972;CCc1ccc(CC)n1O;KNBGGAHXIBJRNL-UHFFFAOYSA-N;139.2;1.85;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC5_SNda";;;;;;;1.64;;0.05;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM442973;MM442973;C=CCC(F)C1NC1C=C;SHUQIEQDWQMUIO-UHFFFAOYSA-N;141.19;1.43;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_SP1";;;;;;;0.81;;-0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM442974;MM442974;C=CC1=COC(=CCC)C1;KQTIBWJYBHHZRO-UHFFFAOYSA-N;136.19;2.77;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC4_SC5";;;;;;;2.97;;0.45;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM442975;MM442975;C=c1cc(C#N)oc1=CF;DHNKZOGTISHCRA-UHFFFAOYSA-N;137.11;0.27;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNa_SN0";;;;;;;1.17;;-1.18;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM442976;MM442976;CCc1ccc(CO)n1O;ONTACZRLOWISPY-UHFFFAOYSA-N;141.17;0.78;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNda_SNda";;;;;;;0.87;;-2.07;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM442977;MM442977;CC(C)=NNC=NN(C)C;ZIBAGOQVAFIXQX-UHFFFAOYSA-N;142.21;0.48;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_Nd";;;;;;;-0.24;;-3.16;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM442978;MM442978;C=CC1=COC(=CCN)C1;NIPLRTGFAULXMF-UHFFFAOYSA-N;137.18;1.32;;;;;DOPC;MDCG;27;1;"MARTINI bead: SNda_SC5";;;;;;;1.64;;-2.05;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM442979;MM442979;C#Cc1cc(=C)c(=CC)o1;RELICWQWRJPIDI-UHFFFAOYSA-N;132.16;0.47;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC5_SN0";;;;;;;1.94;;0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM442980;MM442980;NCc1ccc(CN)n1O;ROAWPCQUDYDQGC-UHFFFAOYSA-N;141.17;-0.36;;;;;DOPC;MDCG;27;1;"MARTINI bead: SP2_SP1";;;;;;;-1.06;;-4.97;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM442981;MM442981;C=CCC(N)C1OC1C=C;HVBQSJDKBISFTK-UHFFFAOYSA-N;139.2;0.84;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_SNa";;;;;;;0.87;;-4.12;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM442982;MM442982;CCC=C1CC(C=O)=CO1;MPECTDONMKDZMJ-UHFFFAOYSA-N;138.17;1.78;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC4_SNa";;;;;;;2.2;;0.34;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM442983;MM442983;C#Cc1cc(=C)c(=CF)o1;VWDWBIQDKFTRCA-UHFFFAOYSA-N;136.13;0.38;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNa_SN0";;;;;;;1.17;;-1.18;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM442984;MM442984;CCc1ccc(NC)n1C;ACGMEQMGVRBQBL-UHFFFAOYSA-N;138.21;1.63;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC5_SNd";;;;;;;1.64;;0.02;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM442985;MM442985;C=CCC(O)C1OC1C=C;UGJOZXDBCGWFCY-UHFFFAOYSA-N;140.18;0.88;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda_SNa";;;;;;;0.87;;-1.99;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM442986;MM442986;CCC=C1CC(C#N)=CO1;SSYLMKRKEFVPMK-UHFFFAOYSA-N;135.17;2.11;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC4_SN0";;;;;;;2.5;;0.44;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM442987;MM442987;Cc1nn(N)c(=O)nc1N;SCHCOULJHGLKKF-UHFFFAOYSA-N;141.13;-1.76;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP3_SP2";;;;;;;-2.2;;-5.19;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM442988;MM442988;CNc1ccc(CN)n1C;WCVZKOOFKZCXHZ-UHFFFAOYSA-N;139.2;0.53;;;;;DOPC;MDCG;27;1;"MARTINI bead: SNd_SNd";;;;;;;0.87;;-3.63;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM442989;MM442989;C=COC(C)C1OC1C=C;SWGVMNBFLNFMQC-UHFFFAOYSA-N;140.18;1.49;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_SNa";;;;;;;1.64;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM442990;MM442990;C=CC1=CCC(=NCC)N1;KRUQGARSKMPNNC-UHFFFAOYSA-N;136.2;1.47;;;;;DOPC;MDCG;27;1;"MARTINI bead: SNd_SN0";;;;;;;1.17;;-3.68;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM442991;MM442991;CC1OC1CC(=O)N(C)N;OFIHUMVIMSNFAT-UHFFFAOYSA-N;144.17;-0.5;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNa_P4";;;;;;;-1.19;;-4.76;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM442992;MM442992;C#CC1CC1C(O)C(C)C;LEBJMVSMARTJSZ-UHFFFAOYSA-N;138.21;1.27;;;;;DOPC;MDCG;27;0;"MARTINI bead: C3_SNda";;;;;;;2.57;;0.44;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM442993;MM442993;CC(CC#N)C1CN1C=N;FVDFXSCHYGWGJD-UHFFFAOYSA-N;137.19;0.83;;;;;DOPC;MDCG;27;1;"MARTINI bead: N0_SP2";;;;;;;0.06;;-5.38;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM442994;MM442994;CCNC1=NC(C#N)=CC1;WXIJCPNKLZQRFO-UHFFFAOYSA-N;135.17;0.81;;;;;DOPC;MDCG;27;1;"MARTINI bead: SNd_SP1";;;;;;;0.04;;-3.82;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM442995;MM442995;CCn1nc(F)c(=NO)o1;HKRIPLOBNDENEY-UHFFFAOYSA-N;147.11;-0.08;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP2_SP2";;;;;;;-1.34;;-4.31;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM442996;MM442996;N#CC1=NC2CC2(C=O)N1;DBHNOEVWQMQAGJ-UHFFFAOYSA-N;135.13;-0.78;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNa_SP1";;;;;;;0.04;;-2.54;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM442997;MM442997;CC(CC#N)C1CN1C=O;CRYJMFBTFIFHJP-UHFFFAOYSA-N;138.17;0.38;;;;;DOPC;MDCG;27;0;"MARTINI bead: N0_SP2";;;;;;;0.06;;-2.21;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM442998;MM442998;C=CC1=NCC(=CCC)N1;ZQIDJZVKHLGRJA-UHFFFAOYSA-N;136.2;1.47;;;;;DOPC;MDCG;27;1;"MARTINI bead: SNd_SN0";;;;;;;1.17;;-3;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM442999;MM442999;C=CC(C)(C#N)CNN=C;QLOLZELDOXMNCB-UHFFFAOYSA-N;137.19;0.91;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_P2";;;;;;;0.54;;-1.09;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM443000;MM443000;C#CCC1=NC=C(C)C1=O;KHSUPXRTHUEOOQ-UHFFFAOYSA-N;133.15;0.94;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNa_SC5";;;;;;;1.64;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM443001;MM443001;C=CCC(O)C1CN1C=O;NPFIZXHEXUWMSU-UHFFFAOYSA-N;141.17;-0.24;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda_SP2";;;;;;;-0.24;;-3.31;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM443002;MM443002;C=CC1=NCC(=CCN)N1;RFXNGUKTZQZOOK-UHFFFAOYSA-N;137.19;0.02;;;;;DOPC;MDCG;27;1;"MARTINI bead: SP2_SN0";;;;;;;0.06;;-4.14;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM443003;MM443003;C=CC(F)COC(C)=NN;KIVPAOCFMUVNQA-UHFFFAOYSA-N;146.17;0.82;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda_Na";;;;;;;0.87;;-1.99;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM443004;MM443004;CCc1ccc(OC)n1C;QYDGDXOZOSDABE-UHFFFAOYSA-N;139.2;1.6;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC5_SNa";;;;;;;1.64;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM443005;MM443005;C=NN1CC1C(F)CC#N;HPQPDINPSZSFBG-UHFFFAOYSA-N;141.15;0.54;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_SP2";;;;;;;-0.24;;-3.24;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM443006;MM443006;CCC=C1CN=C(C=O)N1;YXDAULRYDXBEKB-UHFFFAOYSA-N;138.17;0.48;;;;;DOPC;MDCG;27;0;"MARTINI bead: SN0_SP2";;;;;;;0.06;;-2.21;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM443007;MM443007;NN=c1on(C=O)nc1F;MWDXEOZNWKVJGO-UHFFFAOYSA-N;146.08;-1.57;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP2_SP3";;;;;;;-2.2;;-5.19;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM443008;MM443008;COc1ccc(CO)n1C;BQGZGIWDVYGQPT-UHFFFAOYSA-N;141.17;0.53;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNa_SNda";;;;;;;0.87;;-1.99;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM443009;MM443009;C#CCC(C)C1CC1C=C;BFNMDTUCMUKOFB-UHFFFAOYSA-N;134.22;2.47;;;;;DOPC;MDCG;27;0;"MARTINI bead: C3_SC4";;;;;;;3.9;;0.47;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM443010;MM443010;CCC=C1CN=C(C#N)N1;ITWKVQSYIYPNGY-UHFFFAOYSA-N;135.17;0.81;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNd_SP1";;;;;;;0.04;;-2.63;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM443011;MM443011;CCC1=CC(CC)C(C)C1;JOCMLXNRUIYYNB-UHFFFAOYSA-N;138.25;3.39;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC1_SC2";;;;;;;4.87;;0.53;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM443012;MM443012;CCc1ccc(OC)n1N;UTDUNENNPQUTRL-UHFFFAOYSA-N;140.19;0.77;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC5_SNda";;;;;;;1.64;;0.05;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM443013;MM443013;C#CCC(C)C1CC1C=O;XZUVUXGSDYPARS-UHFFFAOYSA-N;136.19;1.48;;;;;DOPC;MDCG;27;0;"MARTINI bead: C3_SNa";;;;;;;2.57;;0.45;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM443014;MM443014;NN=C(CF)OC1CC1;ILKYNHNAPKCUTP-UHFFFAOYSA-N;132.14;0.41;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_SC5";;;;;;;0.54;;-1.09;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM443015;MM443015;CCC1C=C(CO)CC1C;YBCAQAAXXMVJPH-UHFFFAOYSA-N;140.23;1.97;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC1_SNda";;;;;;;2.91;;0.57;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM443016;MM443016;CNc1ccc(NC)n1N;BULDAODOIZQMPK-UHFFFAOYSA-N;140.19;0.29;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNd_SNd";;;;;;;0.87;;-2.11;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM443017;MM443017;C#CCC(C)C1CC1C#N;HMLBQPMSKHUOHW-UHFFFAOYSA-N;133.19;1.81;;;;;DOPC;MDCG;27;0;"MARTINI bead: C3_SN0";;;;;;;2.87;;0.37;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM443018;MM443018;CCON=COC=NN;VPUXGNXVVULJGS-UHFFFAOYSA-N;131.14;-0.12;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_P2";;;;;;;0.54;;-1.09;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM443019;MM443019;CCC1=NN(CC)C(C)C1;FLVUJVGDKVVJMF-UHFFFAOYSA-N;140.23;1.87;;;;;DOPC;MDCG;27;0;"MARTINI bead: SN0_SP1";;;;;;;0.34;;-1.53;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM443020;MM443020;CNc1ccc(OC)n1C;MRNCORPSGZQVSD-UHFFFAOYSA-N;140.19;1.08;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNd_SNa";;;;;;;0.87;;-1.88;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM443021;MM443021;C#CCC(F)C1CC1C=C;XXHQIGGCXJRGOK-UHFFFAOYSA-N;138.19;2.17;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_SC4";;;;;;;2.2;;0.34;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM443022;MM443022;C=CC1=CCC(=CCC)O1;PWMYSUKQGZYTRE-UHFFFAOYSA-N;136.19;2.77;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC4_SN0";;;;;;;2.5;;0.44;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM443023;MM443023;C#CC(C)COC(C)=NN;BTAXQNBIFDANSK-UHFFFAOYSA-N;140.19;0.56;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4_P2";;;;;;;1.09;;-0.38;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM443024;MM443024;CC1OC1CC#CC=NN;ZDBZBXXUXXBRLC-UHFFFAOYSA-N;138.17;0.11;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNa_P1";;;;;;;0.04;;-2.54;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM443025;MM443025;C#CCC(F)C1CC1C#N;GUJWWMIXNPEWDW-UHFFFAOYSA-N;137.16;1.51;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_SN0";;;;;;;1.17;;-1.18;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM443026;MM443026;C=CC1=CCC(=CCN)O1;NNJVFMWXNPBFFY-UHFFFAOYSA-N;137.18;1.32;;;;;DOPC;MDCG;27;1;"MARTINI bead: SNda_SN0";;;;;;;1.17;;-3.31;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM443027;MM443027;CCN1N=C(CF)CC1C;SNAVGRHJMPBTTE-UHFFFAOYSA-N;144.19;1.43;;;;;DOPC;MDCG;27;0;"MARTINI bead: SN0_SP1";;;;;;;0.34;;-1.53;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM443028;MM443028;CCc1ncc(CN)n1C;CGNORBVTXPKYFZ-UHFFFAOYSA-N;139.2;0.44;;;;;DOPC;MDCG;27;1;"MARTINI bead: SNa_SP2";;;;;;;-0.24;;-4.36;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM443029;MM443029;C#CCC(N)C1NC1C=C;IHHLAKBVPWPYDW-UHFFFAOYSA-N;136.2;-0.14;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_SP1";;;;;;;0.04;;-4.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM443030;MM443030;CCC=C1CC=C(C=O)O1;YWKGSJJZLFDPBU-UHFFFAOYSA-N;138.17;1.78;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC4_SNa";;;;;;;2.2;;0.34;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM443031;MM443031;CCC1C=C(C#N)CC1C;UVLFJIUCRWYCNA-UHFFFAOYSA-N;135.21;2.5;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC1_SN0";;;;;;;3.21;;0.46;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM443032;MM443032;Cn1c(CN)cnc1CN;GZGVTVWQEFPXDY-UHFFFAOYSA-N;140.19;-0.66;;;;;DOPC;MDCG;27;1;"MARTINI bead: SP2_SP2";;;;;;;-1.34;;-5.46;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM443033;MM443033;CC(C)CC1(O)C(C)C1C;FWSORQOGZKECHF-UHFFFAOYSA-N;142.24;2.05;;;;;DOPC;MDCG;27;0;"MARTINI bead: C3_SNda";;;;;;;2.57;;0.44;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM443034;MM443034;CCC=C1CC=C(C#N)O1;MDTWKZZVSFFHQS-UHFFFAOYSA-N;135.17;2.11;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC4_SNa";;;;;;;2.2;;0.34;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM443035;MM443035;CCN1C=C(C=O)CC1C;MQDJJQHHUMHXQE-UHFFFAOYSA-N;139.2;1.18;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC5_SP2";;;;;;;0.54;;-1.09;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM443036;MM443036;C#CC#CCCON=CC;WHISYQJUZWRBOP-UHFFFAOYSA-N;135.17;1.04;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_C4";;;;;;;2.2;;0.34;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM443037;MM443037;C#CC1CC1C(N)CCN;HOTWDZSBMUWSJN-UHFFFAOYSA-N;138.21;-0.07;;;;;DOPC;MDCG;27;1;"MARTINI bead: P3_SC5";;;;;;;-0.33;;-4.84;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM443038;MM443038;CC=NNC1CC1C#N;XMGVJKIFNITXFQ-UHFFFAOYSA-N;123.16;0.49;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nd_SN0";;;;;;;1.17;;-1.04;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM443039;MM443039;CCN1C=C(C#N)CC1C;WGTBXADRXOTPPH-UHFFFAOYSA-N;136.2;1.51;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC5_SP1";;;;;;;0.81;;-0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM443040;MM443040;CC(=O)ON=CCF;HSOJWHDMEWODQP-UHFFFAOYSA-N;119.1;0.5;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_C5";;;;;;;0.54;;-1.09;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM443041;MM443041;C#CC(C)(C)NN=CCF;RAZHWTZGVWWNEQ-UHFFFAOYSA-N;142.18;0.94;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_C5";;;;;;;0.81;;-0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM443042;MM443042;NN=COC(=O)C1CN1;FOVQJMYHDAKXKK-UHFFFAOYSA-N;129.12;-1.6;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_SP2";;;;;;;-1.06;;-3.82;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM443043;MM443043;C=CC1=NN(CC)C(C)C1;WCDVHHWPYRVAME-UHFFFAOYSA-N;138.21;1.64;;;;;DOPC;MDCG;27;0;"MARTINI bead: SN0_SP1";;;;;;;0.34;;-1.53;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM443044;MM443044;CNc1ncc(CN)n1C;KHXFTRMXKHRQSI-UHFFFAOYSA-N;140.19;-0.08;;;;;DOPC;MDCG;27;1;"MARTINI bead: SNda_SP2";;;;;;;-0.24;;-4.55;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM443045;MM443045;C#CC1CC1C(C)CC=C;STQYIBJCGIPNRP-UHFFFAOYSA-N;134.22;2.47;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1_SC5";;;;;;;3.68;;0.46;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM443046;MM443046;CC(C(=O)C=O)N1CC1;CLNUTRFMPXPKKJ-UHFFFAOYSA-N;127.14;-0.54;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNd_Na";;;;;;;0.87;;-1.88;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM443047;MM443047;CCN1N=C(C=O)CC1C;JVRQFXJEZWXKNF-UHFFFAOYSA-N;140.19;0.66;;;;;DOPC;MDCG;27;0;"MARTINI bead: SN0_SP1";;;;;;;0.34;;-1.53;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM443048;MM443048;CCc1cnc(OC)n1C;ABFMWMXZJLWVGZ-UHFFFAOYSA-N;140.19;0.99;;;;;DOPC;MDCG;27;0;"MARTINI bead: SN0_SNa";;;;;;;1.17;;-1.18;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM443049;MM443049;C#CCC(C)C1CC1C#C;MRFDJERRLJRBLJ-UHFFFAOYSA-N;132.21;1.92;;;;;DOPC;MDCG;27;0;"MARTINI bead: C3_SC5";;;;;;;3.34;;0.48;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM443050;MM443050;C=Cc1coc(=NOC)o1;CLHOZWKANSXLMM-UHFFFAOYSA-N;141.13;0.98;;;;;DOPC;MDCG;27;0;"MARTINI bead: P3_SP1";;;;;;;-1.93;;-4.72;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM443051;MM443051;CCN1N=C(C#N)CC1C;SVRACYTUHORGLU-UHFFFAOYSA-N;137.19;0.98;;;;;DOPC;MDCG;27;0;"MARTINI bead: SN0_SP1";;;;;;;0.34;;-1.53;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM443052;MM443052;COc1ncc(CN)n1C;MKLXRQXHKKMBCU-UHFFFAOYSA-N;141.17;-0.11;;;;;DOPC;MDCG;27;1;"MARTINI bead: SNa_SP2";;;;;;;-0.24;;-4.32;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM443053;MM443053;C#CCC(C)C1NC1C#C;JNLXGJBUCJOTEN-UHFFFAOYSA-N;133.19;0.62;;;;;DOPC;MDCG;27;0;"MARTINI bead: C3_SP3";;;;;;;0.6;;-0.8;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM443054;MM443054;CON=c1occ(C=O)o1;CWYIVQBKBGGXSS-UHFFFAOYSA-N;143.1;0.15;;;;;DOPC;MDCG;27;0;"MARTINI bead: P3_SP2";;;;;;;-2.2;;-5.19;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM443055;MM443055;C#CC1=NN(CC)C(C)C1;GDLPKDKDZLDZDK-UHFFFAOYSA-N;136.2;1.09;;;;;DOPC;MDCG;27;0;"MARTINI bead: SN0_SP1";;;;;;;0.34;;-1.53;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM443056;MM443056;CCc1cnc(OC)n1N;FCTFNPFIUJSGJD-UHFFFAOYSA-N;141.17;0.17;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNd_SNa";;;;;;;0.87;;-1.88;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM443057;MM443057;C#CCC(C)C1OC1C#C;VABOVYLYJDWHJN-UHFFFAOYSA-N;134.18;1.05;;;;;DOPC;MDCG;27;0;"MARTINI bead: C3_SNa";;;;;;;2.57;;0.45;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM443058;MM443058;CON=c1occ(C#N)o1;XKNFPRSRJCEKSB-UHFFFAOYSA-N;140.1;0.21;;;;;DOPC;MDCG;27;0;"MARTINI bead: P3_SP2";;;;;;;-2.2;;-5.19;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM443059;MM443059;C=CC1C=C(CC)CC1C;OYAJURZRKRCWSY-UHFFFAOYSA-N;136.24;3.16;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC2_SC3";;;;;;;4.53;;0.32;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM443060;MM443060;CNc1cnc(NC)n1C;XPAVTEBKDSGGPN-UHFFFAOYSA-N;140.19;0.5;;;;;DOPC;MDCG;27;1;"MARTINI bead: SNd_SNda";;;;;;;0.87;;-3.31;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM443061;MM443061;C=C(CCC)C1CC1CC;LJIYXRZDIBAWQP-UHFFFAOYSA-N;138.25;3.39;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1_SC3";;;;;;;4.61;;0.31;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM443062;MM443062;CC(C)(C)OC(CF)=NN;DEQKOWMVXCMKCO-UHFFFAOYSA-N;148.18;1.04;;;;;DOPC;MDCG;27;0;"MARTINI bead: C3_P2";;;;;;;1.46;;-0.15;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM443063;MM443063;CCC1=CN(C=N)C(C)C1;QXKNLILGFNYPBK-UHFFFAOYSA-N;138.21;1.98;;;;;DOPC;MDCG;27;1;"MARTINI bead: SN0_SNd";;;;;;;1.17;;-4.31;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM443064;MM443064;CCc1ncc(OC)n1C;YURILAZPFCLYCU-UHFFFAOYSA-N;140.19;0.99;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNa_SNa";;;;;;;0.87;;-2.22;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM443065;MM443065;C=C(CCN)C1CC1CC;DZIAATATCFQIAQ-UHFFFAOYSA-N;139.24;1.94;;;;;DOPC;MDCG;27;1;"MARTINI bead: SC3_Nd";;;;;;;2.57;;-1.48;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM443066;MM443066;CNN=c1onc(C=O)o1;UJKHRUVDFNQRKE-UHFFFAOYSA-N;143.1;-0.88;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_SP3";;;;;;;-2.2;;-5.19;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM443067;MM443067;CC1CC(CO)=CN1C=N;KMHNAOHZGZPRHE-UHFFFAOYSA-N;140.19;0.56;;;;;DOPC;MDCG;27;1;"MARTINI bead: SP2_SNd";;;;;;;-0.24;;-6.17;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM443068;MM443068;CCc1nnc(CC)n1C;NPHJQSYSIKNNSC-UHFFFAOYSA-N;139.2;0.94;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNa_SNa";;;;;;;0.87;;-2.22;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM443069;MM443069;C=C(CCC)C1CC1CN;ABQJQXHSHIAKAB-UHFFFAOYSA-N;139.24;1.94;;;;;DOPC;MDCG;27;1;"MARTINI bead: C1_SNd";;;;;;;2.91;;-0.55;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM443070;MM443070;CNN=c1onc(C#N)o1;XHCFLIQSHHSOHG-UHFFFAOYSA-N;140.1;-0.83;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_SP2";;;;;;;-1.34;;-4.31;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM443071;MM443071;CC1CC(CF)=CN1C=N;AMDAOJPVMCQQHN-UHFFFAOYSA-N;142.18;1.54;;;;;DOPC;MDCG;27;1;"MARTINI bead: SNa_SNd";;;;;;;0.87;;-4.87;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM443072;MM443072;C=NNC(=N)C1CO1;UCUZTADCXIIZFS-UHFFFAOYSA-N;113.12;-0.43;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_SP1";;;;;;;-1.06;;-3.82;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM443073;MM443073;CC(=NOCC#N)C(F)F;YNVHNGYUKAZDDC-UHFFFAOYSA-N;148.11;1.17;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_N0";;;;;;;1.17;;-1.18;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM443074;MM443074;C=Cc1noc(=NOC)o1;RVPVKDZJGGRBHB-UHFFFAOYSA-N;142.11;0.37;;;;;DOPC;MDCG;27;0;"MARTINI bead: P3_SP2";;;;;;;-2.2;;-5.19;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM443075;MM443075;CCC1=NN(C=N)C(C)C1;ZNMWYAVMWYUFJU-UHFFFAOYSA-N;139.2;1.45;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP1_SP1";;;;;;;-0.79;;-3.13;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM443076;MM443076;Cn1c(CF)nnc1CF;RXZDOXGWYXEQPS-UHFFFAOYSA-N;147.13;0.75;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP1_SP1";;;;;;;-0.79;;-3.13;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM443077;MM443077;C=C(CCC)C1CC1CF;LGORDBPWAPWLRL-UHFFFAOYSA-N;142.22;2.95;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1_SC5";;;;;;;3.68;;0.46;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM443078;MM443078;CON=c1onc(C=O)o1;MFCDXOIUAJCXRR-UHFFFAOYSA-N;144.09;-0.46;;;;;DOPC;MDCG;27;0;"MARTINI bead: P3_SP3";;;;;;;-3.07;;-6.15;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM443079;MM443079;CCC(O)C1CC1(C)CC;WOYNVGIZDRGQJP-UHFFFAOYSA-N;142.24;2.19;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda_SC3";;;;;;;2.57;;0.44;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM443080;MM443080;CCc1nnc(CC)n1N;PLSFAHFBTFAYIR-UHFFFAOYSA-N;140.19;0.12;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNa_SP1";;;;;;;0.04;;-2.54;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM443081;MM443081;CCCC(=O)C1CC1CC;BVECHDGVQRILBK-UHFFFAOYSA-N;140.23;2.4;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_SC3";;;;;;;2.57;;0.45;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM443082;MM443082;CON=c1onc(C#N)o1;WIYBJZQNDSWYBY-UHFFFAOYSA-N;141.09;-0.4;;;;;DOPC;MDCG;27;0;"MARTINI bead: P3_SP2";;;;;;;-2.2;;-5.19;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM443083;MM443083;CC1CC(CF)=NN1C=N;RFROBEKOOWMYMA-UHFFFAOYSA-N;143.17;1.01;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP1_SP1";;;;;;;-0.79;;-3.13;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM443084;MM443084;CCc1nnc(CC)n1O;XLGGQOJSHTUOPU-UHFFFAOYSA-N;141.17;0.64;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNa_SP1";;;;;;;0.04;;-2.54;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM443085;MM443085;CCNC(=N)C1CC1CN;HGDNOVBWXNMZNH-UHFFFAOYSA-N;141.22;0.17;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_SNd";;;;;;;0.87;;-7.14;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM443086;MM443086;C=CC=C1CC=C(C=C)C1;SEOAYDWPKOUHEA-UHFFFAOYSA-N;132.21;3.01;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC4_SC3";;;;;;;3.9;;0.47;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM443087;MM443087;COC1=NN(C=N)C(C)C1;QBPLPJUFSIWRGZ-UHFFFAOYSA-N;141.17;0.65;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP1_SP1";;;;;;;-0.79;;-3.13;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM443088;MM443088;CCc1nnc(NC)n1C;XSQBQQIQRFCTRZ-UHFFFAOYSA-N;140.19;0.42;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNa_SNda";;;;;;;0.87;;-1.99;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM443089;MM443089;CCNC(=N)C1CC1NC;NKLTVOXESJXHKF-UHFFFAOYSA-N;141.22;0.18;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_SNd";;;;;;;0.87;;-6.88;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM443090;MM443090;C=CC1=CCC(=CC=O)C1;LCAXCJYOVZZOQG-UHFFFAOYSA-N;134.18;2.02;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC3_SNa";;;;;;;2.57;;0.45;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM443091;MM443091;CC1CC(C=O)=CN1C=N;XIGZLZPTQAYXKM-UHFFFAOYSA-N;138.17;0.77;;;;;DOPC;MDCG;27;1;"MARTINI bead: SP2_SNd";;;;;;;-0.24;;-5.59;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM443092;MM443092;C#CC(C)C(C)(O)CC;HHBUXOKBXSFOKM-UHFFFAOYSA-N;126.2;1.42;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda_C5";;;;;;;1.64;;0.05;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM443093;MM443093;C=NOC(=O)C(=O)C(=N)N;ZXAXBZTUIRTINE-UHFFFAOYSA-N;143.1;-1.35;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_P1";;;;;;;-1.06;;-3.82;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM443094;MM443094;C=CC1=CCC(=CC#N)C1;GAYWVKZZKXWJIR-UHFFFAOYSA-N;131.18;2.34;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC3_SN0";;;;;;;2.87;;0.37;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM443095;MM443095;CC1CC(C#N)=CN1C=N;WJOMHTPGVWIDJN-UHFFFAOYSA-N;135.17;1.1;;;;;DOPC;MDCG;27;1;"MARTINI bead: SP1_SNd";;;;;;;0.04;;-4.77;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM443096;MM443096;C=CC1=CC=C(CC)C1C;TXMORKBQGYPBPW-UHFFFAOYSA-N;134.22;3.08;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC3_SC3";;;;;;;4.27;;0.2;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM443097;MM443097;C=C(CCC)C1NC1CF;CODQPALMWIJUDR-UHFFFAOYSA-N;143.21;1.65;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1_SP1";;;;;;;2.08;;0.49;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM443098;MM443098;C=CC=C1CC=C(C=O)C1;DVZHAHMNZBROMQ-UHFFFAOYSA-N;134.18;2.02;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC4_SNa";;;;;;;2.2;;0.34;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM443099;MM443099;CC1CC(C#N)=CN1C=O;BLTCVTSMOPEAFH-UHFFFAOYSA-N;136.15;0.64;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP1_SNda";;;;;;;0.04;;-2.73;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM443100;MM443100;CCC1=CC=C(C=O)C1C;QKGLXMCYTMRVIH-UHFFFAOYSA-N;136.19;2.1;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC3_SNa";;;;;;;2.57;;0.45;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM443101;MM443101;C=NNC(C)=NC1CC1C;JCLQTVNCDGOOPI-UHFFFAOYSA-N;139.2;1.02;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC5_P1";;;;;;;0.81;;-0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM443102;MM443102;C=CC=C1CC=C(C#N)C1;JRNVJINHXQLYHO-UHFFFAOYSA-N;131.18;2.34;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC4_SN0";;;;;;;2.5;;0.44;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM443103;MM443103;CC1CC(C=O)=NN1C=N;XUQXCOBNBAJROY-UHFFFAOYSA-N;139.16;0.24;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP1_SP1";;;;;;;-0.79;;-3.13;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM443104;MM443104;CCC1=CC=C(C#N)C1C;RXDYJHCRBCAQGW-UHFFFAOYSA-N;133.19;2.42;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC3_SN0";;;;;;;2.87;;0.37;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM443105;MM443105;CCCC(=O)C1OC1CO;MLXGIOCNEDERMX-UHFFFAOYSA-N;144.17;0.12;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_SP2";;;;;;;0.54;;-1.09;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM443106;MM443106;O=CC=C1CC=C(C=O)C1;RNWUJJWNGIZNDN-UHFFFAOYSA-N;136.15;1.03;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNa_SNa";;;;;;;0.87;;-2.22;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM443107;MM443107;C#CC1=CC(C=C)C(C)C1;KUOKTKOEKHXPIZ-UHFFFAOYSA-N;132.21;2.39;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC5_SC3";;;;;;;3.34;;0.48;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM443108;MM443108;C=CC1=CC=C(CN)C1C;YDMHOVHHRRVAIP-UHFFFAOYSA-N;135.21;1.63;;;;;DOPC;MDCG;27;1;"MARTINI bead: SNd_SC4";;;;;;;2.2;;-1.64;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM443109;MM443109;CCNC(=N)C1OC1CC;SGTGKYQBKBKDAZ-UHFFFAOYSA-N;142.2;0.75;;;;;DOPC;MDCG;27;1;"MARTINI bead: P2_SNa";;;;;;;-0.24;;-6.42;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM443110;MM443110;N#CC=C1CC=C(C=O)C1;SBZLZSVUVINYMP-UHFFFAOYSA-N;133.15;1.36;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNa_SN0";;;;;;;1.17;;-1.18;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM443111;MM443111;C#CC1=CN(C=N)C(C)C1;OIHZNUBFQOTEIB-UHFFFAOYSA-N;134.18;1.2;;;;;DOPC;MDCG;27;1;"MARTINI bead: SP1_SNd";;;;;;;0.04;;-5.23;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM443112;MM443112;C=CC1=CC=C(CO)C1C;XXZOUNHHACFOQW-UHFFFAOYSA-N;136.19;1.67;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNda_SC4";;;;;;;2.2;;0.49;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM443113;MM443113;CCCC(=N)N1CC1CC;HYTMWGSUEMYKAC-UHFFFAOYSA-N;140.23;1.86;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_SP1";;;;;;;0.04;;-6.57;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM443114;MM443114;N#CC1=CCC(=CC=O)C1;QKSHCTVEHFQKAP-UHFFFAOYSA-N;133.15;1.36;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNa_SN0";;;;;;;1.17;;-1.18;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM443115;MM443115;C#CC1=CN(C=O)C(C)C1;ILJWHPHQOPEHDL-UHFFFAOYSA-N;135.17;0.75;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP1_SNda";;;;;;;0.04;;-2.73;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM443116;MM443116;CC1C(C#N)=CC=C1CO;OBSOYVTWCFQKMJ-UHFFFAOYSA-N;135.17;1;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNda_SN0";;;;;;;1.17;;-1.13;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM443117;MM443117;CCCC(=N)N1CC1CN;CNCRUNKQBRRUGD-UHFFFAOYSA-N;141.22;0.41;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_SP2";;;;;;;-0.24;;-6.75;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM443118;MM443118;N#CC=C1CC=C(C#N)C1;VXKYXZPGOFJSIU-UHFFFAOYSA-N;130.15;1.68;;;;;DOPC;MDCG;27;0;"MARTINI bead: SN0_SN0";;;;;;;1.47;;-0.05;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM443119;MM443119;C#CC1C=C(CF)CC1C;ISFZANUXHRHXPX-UHFFFAOYSA-N;138.19;2.17;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC5_SC5";;;;;;;2.41;;0.64;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM443120;MM443120;C=CC1=CC=C(CF)C1C;WWZRUFGUPOGKIV-UHFFFAOYSA-N;138.19;2.64;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC5_SC4";;;;;;;2.97;;0.45;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM443121;MM443121;CCCC(=O)N1CC1CC;YDWXLRFULIBDGP-UHFFFAOYSA-N;141.21;1.41;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_SP1";;;;;;;-0.79;;-3.13;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM443122;MM443122;C=CC1=CCC(=NN=C)C1;UBVJGRWQMFTPFU-UHFFFAOYSA-N;134.18;1.95;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC3_SC5";;;;;;;3.34;;0.48;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM443123;MM443123;C#CC1C=C(C=O)CC1C;VFUPMPNFYZSWCL-UHFFFAOYSA-N;134.18;1.4;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNa_SC5";;;;;;;1.64;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM443124;MM443124;CC1C(C#N)=CC=C1CF;LHABZZPFVHZDPF-UHFFFAOYSA-N;137.16;1.98;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC5_SN0";;;;;;;1.94;;0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM443125;MM443125;CCCC(=O)N1CC1CN;VOOMIDJMQQYOBQ-UHFFFAOYSA-N;142.2;-0.04;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1_SP2";;;;;;;-1.06;;-5.56;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM443126;MM443126;CC(F)(F)C(=O)OC=NN;GTLAHFWZDFXEBY-UHFFFAOYSA-N;152.1;0.09;;;;;DOPC;MDCG;27;0;"MARTINI bead: N0_P1";;;;;;;0.34;;-1.53;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM443127;MM443127;C#CC1C=C(C#N)CC1C;FOTONAQPHMYWHR-UHFFFAOYSA-N;131.18;1.73;;;;;DOPC;MDCG;27;0;"MARTINI bead: SN0_SC5";;;;;;;1.94;;0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM443128;MM443128;C=CC1=CC=C(CC)C1N;ZQURGCJCFSHEHY-UHFFFAOYSA-N;135.21;1.78;;;;;DOPC;MDCG;27;1;"MARTINI bead: SC3_SNd";;;;;;;2.57;;-0.65;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM443129;MM443129;CCCC(=O)N1CC1CO;VATLJJQXIGEISS-UHFFFAOYSA-N;143.19;-0.01;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_SP2";;;;;;;-1.06;;-3.82;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM443130;MM443130;C=C(C)OC(=O)OC=NN;OENAKKIYVBYTSY-UHFFFAOYSA-N;144.13;0.58;;;;;DOPC;MDCG;27;0;"MARTINI bead: N0_P1";;;;;;;0.34;;-1.53;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM443131;MM443131;C#CC1=CC(C#C)C(C)C1;WPUKSBZUCCMMBA-UHFFFAOYSA-N;130.19;1.84;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC5_SC5";;;;;;;2.41;;0.64;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM443132;MM443132;C=CC1=CC=C(CN)C1N;HAJINOBNNQFZKG-UHFFFAOYSA-N;136.2;0.32;;;;;DOPC;MDCG;27;1;"MARTINI bead: SP1_SC4";;;;;;;1.37;;-1.99;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM443133;MM443133;CCNC(=N)N1CC1CC;WPBPBQRJZVINCX-UHFFFAOYSA-N;141.22;0.62;;;;;DOPC;MDCG;27;1;"MARTINI bead: P2_SP1";;;;;;;-1.06;;-8.43;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM443134;MM443134;C=CC1=CN=C(NC=N)C1;VDBHUQDOCXTDRS-UHFFFAOYSA-N;135.17;1.06;;;;;DOPC;MDCG;27;1;"MARTINI bead: SC5_SP1";;;;;;;0.81;;-1.87;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM443135;MM443135;C=C1CC(CC)=CN1C=N;XQTRKQSOTOZSIB-UHFFFAOYSA-N;136.2;2.11;;;;;DOPC;MDCG;27;1;"MARTINI bead: SN0_SNd";;;;;;;1.17;;-4.02;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM443136;MM443136;C=CC1=CC=C(CO)C1N;ZAGAWAKLJYSLJU-UHFFFAOYSA-N;137.18;0.36;;;;;DOPC;MDCG;27;1;"MARTINI bead: SP1_SC4";;;;;;;1.37;;-1.48;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM443137;MM443137;C=CCC(=C)C1CC1CC;LFRTYLMUAJLGMO-UHFFFAOYSA-N;136.24;3.16;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC3_C1";;;;;;;4.61;;0.31;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM443138;MM443138;N#CC1=CN=C(NC=N)C1;XHDBEXYTVYLLOE-UHFFFAOYSA-N;134.14;0.39;;;;;DOPC;MDCG;27;1;"MARTINI bead: SP1_SP1";;;;;;;-0.79;;-4.31;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM443139;MM443139;CC=C1C=C(CC)CC1C;HDLXJAGPYTUHSN-UHFFFAOYSA-N;136.24;3.31;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC2_SC2";;;;;;;4.78;;0.59;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM443140;MM443140;C=C(CC#N)C1CC1CC;XTBPMWDDEUQPQY-UHFFFAOYSA-N;135.21;2.5;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC3_N0";;;;;;;2.87;;0.37;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM443141;MM443141;C=CC1=CC=C(CF)C1N;GJFBJBWYUAKLSW-UHFFFAOYSA-N;139.17;1.34;;;;;DOPC;MDCG;27;1;"MARTINI bead: SNda_SC4";;;;;;;2.2;;-1.08;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM443142;MM443142;NN=COC(=O)C=C(N)N;WFPDDKMWTSHHTE-UHFFFAOYSA-N;144.13;-1.81;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_P2";;;;;;;-1.06;;-3.82;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM443143;MM443143;CC=C1C=C(CN)CC1C;PJYOTIBUTTUUNS-UHFFFAOYSA-N;137.23;1.86;;;;;DOPC;MDCG;27;1;"MARTINI bead: SC2_SNd";;;;;;;2.83;;-0.23;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM443144;MM443144;COC1=CC=C(C=O)C1C;UWIFQIUEZQCESE-UHFFFAOYSA-N;138.17;1.29;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC5_SNa";;;;;;;1.64;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM443145;MM443145;C=CCC(=C)C1CC1CN;HPPBCDJGRKOQDS-UHFFFAOYSA-N;137.23;1.71;;;;;DOPC;MDCG;27;1;"MARTINI bead: SNd_C1";;;;;;;2.91;;-0.55;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM443146;MM443146;CC(=NN(C)C)OC=NN;LMHUBTUZDGUWFI-UHFFFAOYSA-N;144.18;-0.2;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_Nda";;;;;;;-0.24;;-3.31;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM443147;MM443147;CN=C(C=O)NC=C(F)F;KIQRCFVFTJDQDB-UHFFFAOYSA-N;148.11;0.54;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_Nd";;;;;;;0.87;;-1.88;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM443148;MM443148;COC1=CC=C(C#N)C1C;CWDYVDUMAJVRMI-UHFFFAOYSA-N;135.17;1.62;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC5_SN0";;;;;;;1.94;;0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM443149;MM443149;N=C(C=O)NC=C(F)CF;CRADPKOCYYWQJR-UHFFFAOYSA-N;148.11;0.53;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_P1";;;;;;;0.04;;-2.54;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM443150;MM443150;CC=C1C=C(CC)CC1N;MTQMAPDMWBOIRW-UHFFFAOYSA-N;137.23;2;;;;;DOPC;MDCG;27;1;"MARTINI bead: SC2_SNd";;;;;;;2.83;;-0.39;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM443151;MM443151;C=NN=C1CC(C=O)=CN1;WRAYOCAQUGWJGT-UHFFFAOYSA-N;137.14;0.08;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNd_SP2";;;;;;;-0.24;;-3.16;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM443152;MM443152;CCC1=NN=C(C=O)C1C;UQRGMFDTXFCKIZ-UHFFFAOYSA-N;138.17;1.04;;;;;DOPC;MDCG;27;0;"MARTINI bead: SN0_SNa";;;;;;;1.17;;-1.18;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM443153;MM443153;C=CC1(C)CN=C(NN)O1;KYYIWDKCQNHMPK-UHFFFAOYSA-N;141.17;-0.22;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC5_SP2";;;;;;;0.54;;-1.09;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM443154;MM443154;CC=C1C=C(CN)CC1N;PREZYYVUGWBRQH-UHFFFAOYSA-N;138.21;0.55;;;;;DOPC;MDCG;27;1;"MARTINI bead: SNd_SNd";;;;;;;0.87;;-4.75;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM443155;MM443155;C#CCC(C)C(C)(O)C=C;RFIZNQVFZACZKR-UHFFFAOYSA-N;138.21;1.58;;;;;DOPC;MDCG;27;0;"MARTINI bead: C3_Nda";;;;;;;2.57;;0.44;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM443156;MM443156;CCC1=NN=C(C#N)C1C;QKAXZDNSMYNDPH-UHFFFAOYSA-N;135.17;1.37;;;;;DOPC;MDCG;27;0;"MARTINI bead: SN0_SN0";;;;;;;1.47;;-0.05;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM443157;MM443157;C=CCC(=C)C1CC1CF;VULAYNQVWUFTRH-UHFFFAOYSA-N;140.2;2.72;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC5_C1";;;;;;;3.68;;0.46;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM443158;MM443158;CC=C1C=C(CO)CC1N;QOAPJMOFMOEUNX-UHFFFAOYSA-N;139.2;0.58;;;;;DOPC;MDCG;27;1;"MARTINI bead: SNd_SNda";;;;;;;0.87;;-4.03;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM443159;MM443159;C=C(C=CC)C(C)(O)CC;JEQSQOGLHFFAOH-UHFFFAOYSA-N;140.23;2.28;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda_C1";;;;;;;2.91;;0.57;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM443160;MM443160;C=CC1=NN=C(CO)C1C;LYYVMRKQZLMURQ-UHFFFAOYSA-N;138.17;0.61;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNda_SC5";;;;;;;1.64;;0.05;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM443161;MM443161;C=C(CC=O)C1CC1CF;HXFOEWIOCGNGGY-UHFFFAOYSA-N;142.17;1.74;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC5_Na";;;;;;;1.64;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM443162;MM443162;CC=C1C=C(OC)CC1C;HTPQOKMEMWKTRQ-UHFFFAOYSA-N;138.21;2.5;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC5_SC2";;;;;;;3.6;;0.34;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM443163;MM443163;N#CC1=CC(=CC=O)NN1;NKQSMHVESSYCAE-UHFFFAOYSA-N;135.13;-0.42;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP2_SP2";;;;;;;-1.34;;-4.31;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM443164;MM443164;CC1C(C#N)=NN=C1CO;JXZHUWKAPRJVLH-UHFFFAOYSA-N;137.14;-0.05;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNda_SN0";;;;;;;1.17;;-1.13;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM443165;MM443165;C=C(CC#N)C1CC1CF;DWYUZKAFRJMZLZ-UHFFFAOYSA-N;139.17;2.06;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC5_N0";;;;;;;1.94;;0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM443166;MM443166;CN=C1C=C(NN)C(C)C1;IERXEPSTOCMDLZ-UHFFFAOYSA-N;139.2;0.44;;;;;DOPC;MDCG;27;1;"MARTINI bead: SC5_SNd";;;;;;;1.64;;-3.48;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM443167;MM443167;C=CC(C)C1C(C)C1(C)O;MIKIIQOCVADDPI-UHFFFAOYSA-N;140.23;1.83;;;;;DOPC;MDCG;27;0;"MARTINI bead: C3_SNda";;;;;;;2.57;;0.44;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM443168;MM443168;CC1C(C#N)=NN=C1CF;KHUHQUFRBCYIKQ-UHFFFAOYSA-N;139.13;0.93;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNa_SN0";;;;;;;1.17;;-1.18;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM443169;MM443169;C=CCC(=O)C1CC1CO;QVIBZQGMKCGHOI-UHFFFAOYSA-N;140.18;0.76;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNda_Na";;;;;;;0.87;;-1.99;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM443170;MM443170;C=Nn1[nH]nc(F)c1=N;XYVSESPELWXYSE-UHFFFAOYSA-N;129.1;-0.71;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP1_SP3";;;;;;;-1.93;;-9.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM443171;MM443171;C=NN=C1CC(C#N)=NN1;NITSXIZRAWLNBE-UHFFFAOYSA-N;135.13;-0.13;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNd_SP1";;;;;;;0.04;;-2.63;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM443172;MM443172;C=Cc1ccc(CC)n1C;RUIKERVXDYOEGK-UHFFFAOYSA-N;135.21;2.23;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC5_SC5";;;;;;;2.41;;0.64;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM443173;MM443173;N#CCC(=O)C1CC1CO;XBPHMSYWVOPEJA-UHFFFAOYSA-N;139.15;0.1;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNda_Na";;;;;;;0.87;;-1.99;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM443174;MM443174;CNc1cc(=NN)n(C)[nH]1;LZJSWWYLVLMCSP-UHFFFAOYSA-N;141.18;-0.83;;;;;DOPC;MDCG;27;1;"MARTINI bead: SNd_SP2";;;;;;;-0.24;;-4.48;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM443175;MM443175;C=CC=C1CC(C=C)=CO1;WMORDQGPGIHZES-UHFFFAOYSA-N;134.18;2.55;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC5_SC5";;;;;;;2.41;;0.64;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM443176;MM443176;CCc1ccc(C=O)n1C;RNWZNZDADOJJBZ-UHFFFAOYSA-N;137.18;1.4;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC5_SNa";;;;;;;1.64;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM443177;MM443177;N#CCC(=O)C1CC1CF;GMXPBDHNOCFSQB-UHFFFAOYSA-N;141.15;1.07;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC5_Na";;;;;;;1.64;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM443178;MM443178;CCOCCOC(C)=NN;PSFUCUWNQGXWTP-UHFFFAOYSA-N;146.19;0.33;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_P2";;;;;;;0.54;;-1.09;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM443179;MM443179;C=CC=C1CC(C=O)=CO1;KXHYRFFCEUJCJT-UHFFFAOYSA-N;136.15;1.56;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC5_SNa";;;;;;;1.64;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM443180;MM443180;CCc1ccc(C#N)n1C;NFHBNDKUEZEECA-UHFFFAOYSA-N;134.18;1.46;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC5_SN0";;;;;;;1.94;;0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM443181;MM443181;C=C(NC=N)C1CC1CN;KDHYIDZQLDWNGF-UHFFFAOYSA-N;139.2;0.29;;;;;DOPC;MDCG;27;1;"MARTINI bead: SNd_Nd";;;;;;;0.87;;-6.05;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM443182;MM443182;CNc1cc(=NO)n(N)[nH]1;WNVAKSUBFGLISP-UHFFFAOYSA-N;143.15;-1.14;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNd_SP2";;;;;;;-0.24;;-3.16;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM443183;MM443183;C=CC=C1CC(C#N)=CO1;RFIOIHLOZQGMBZ-UHFFFAOYSA-N;133.15;1.88;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC5_SN0";;;;;;;1.94;;0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM443184;MM443184;C=Cc1ccc(CN)n1C;ZNZLSSQHJMYXSP-UHFFFAOYSA-N;136.2;1.13;;;;;DOPC;MDCG;27;1;"MARTINI bead: SNd_SN0";;;;;;;1.17;;-2.42;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM443185;MM443185;C=C(NC=N)C1CC1CO;BHQOSPBQMQUTOH-UHFFFAOYSA-N;140.19;0.33;;;;;DOPC;MDCG;27;1;"MARTINI bead: SNda_Nd";;;;;;;0.87;;-5.82;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM443186;MM443186;CCc1cc(=NC)n(C)o1;QKPUMOYAQXXJHZ-UHFFFAOYSA-N;140.19;0.71;;;;;DOPC;MDCG;27;1;"MARTINI bead: SN0_SP1";;;;;;;0.34;;-2.78;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM443187;MM443187;C=CC1=CCC(NC=N)=N1;QYTZXQBEEYLZFB-UHFFFAOYSA-N;135.17;1.06;;;;;DOPC;MDCG;27;1;"MARTINI bead: SC5_SP1";;;;;;;0.81;;-1.91;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM443188;MM443188;Cn1c(C=O)ccc1CO;NCAZZSQBALIIQM-UHFFFAOYSA-N;139.15;0.33;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNda_SNa";;;;;;;0.87;;-1.99;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM443189;MM443189;C=C(NC=N)C1CC1CF;YBKZGIBLWBOGAX-UHFFFAOYSA-N;142.18;1.3;;;;;DOPC;MDCG;27;1;"MARTINI bead: SC5_Nd";;;;;;;1.64;;-3.81;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM443190;MM443190;CN=c1cc(CN)on1C;FMHAHWXFHBXVFC-UHFFFAOYSA-N;141.17;-0.39;;;;;DOPC;MDCG;27;1;"MARTINI bead: SP1_SP1";;;;;;;-0.79;;-4.33;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM443191;MM443191;CC(=O)N=CN(C)CC#N;ALGBNXORSQKBKX-UHFFFAOYSA-N;139.16;0.02;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_Na";;;;;;;-0.24;;-3.24;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM443192;MM443192;C=Cc1ccc(CF)n1C;JEEALYRLIPFCNG-UHFFFAOYSA-N;139.17;2.14;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNa_SN0";;;;;;;1.17;;-1.18;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM443193;MM443193;C=CNC(=N)C1CC1CN;QBHYYNXUBUGJNI-UHFFFAOYSA-N;139.2;0.29;;;;;DOPC;MDCG;27;1;"MARTINI bead: SNd_Nd";;;;;;;0.87;;-6.82;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM443194;MM443194;C=NNCCOC(C)=NN;HECMYEKFTJKNCG-UHFFFAOYSA-N;144.18;-0.5;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_Nd";;;;;;;-0.24;;-3.16;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM443195;MM443195;N#CC1=CCC(NC=N)=N1;QYJHTVBIBFKKOJ-UHFFFAOYSA-N;134.14;0.39;;;;;DOPC;MDCG;27;1;"MARTINI bead: SP1_SP1";;;;;;;-0.79;;-4.17;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM443196;MM443196;C=Cc1ccc(CC)n1N;XLFCJLZMHZOHEI-UHFFFAOYSA-N;136.2;1.41;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNd_SN0";;;;;;;1.17;;-1.04;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM443197;MM443197;C=CNC(=O)C1CC1CC;CIGCEXCUHXALIC-UHFFFAOYSA-N;139.2;1.29;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC3_P1";;;;;;;1.74;;0.29;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM443198;MM443198;C=COCCOC(C)=NN;JDRBFPUHMKWPJL-UHFFFAOYSA-N;144.17;0.46;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_C5";;;;;;;0.54;;-1.09;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM443199;MM443199;C=C(C)OC(COC)=NN;MLRHDHUWZOZTEW-UHFFFAOYSA-N;144.17;0.46;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_C4";;;;;;;1.09;;-0.38;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM443200;MM443200;C=Cc1ccc(CF)n1N;NVRGJRHXLBXXFV-UHFFFAOYSA-N;140.16;1.31;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNda_SN0";;;;;;;1.17;;-1.13;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM443201;MM443201;C=COC(=C)C1CC1CN;XWMBKGATLZZYKX-UHFFFAOYSA-N;139.2;1.26;;;;;DOPC;MDCG;27;1;"MARTINI bead: SNd_C3";;;;;;;2.57;;-1.51;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM443202;MM443202;CCc1cc(=NO)n(C)o1;LDIXTSNSOKXGSX-UHFFFAOYSA-N;142.16;0.47;;;;;DOPC;MDCG;27;0;"MARTINI bead: SN0_SP1";;;;;;;0.34;;-1.53;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM443203;MM443203;CC1C(C2(O)CC2)C1(C)C;XBVAQQWBZHMMIM-UHFFFAOYSA-N;140.23;1.8;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC4_SNda";;;;;;;2.2;;0.49;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM443204;MM443204;C=Cc1ccc(CC)n1O;MOTOZPZYKCTDCI-UHFFFAOYSA-N;137.18;1.93;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNda_SN0";;;;;;;1.17;;-1.13;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM443205;MM443205;C=COC(=C)C1CC1CF;SEXWVOSLZFJDKY-UHFFFAOYSA-N;142.17;2.27;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC5_C3";;;;;;;3.34;;0.48;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM443206;MM443206;Cn1oc(CO)cc1=NO;TXBONDQAUDRTST-UHFFFAOYSA-N;144.13;-0.6;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP1_SP1";;;;;;;-0.79;;-3.13;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM443207;MM443207;C=NN=C1CC=C(C#N)N1;UPOJHECHHVXEEX-UHFFFAOYSA-N;134.14;0.4;;;;;DOPC;MDCG;27;0;"MARTINI bead: SN0_SNd";;;;;;;1.17;;-1.04;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM443208;MM443208;CCc1ccc(C=O)n1O;UCRZDAAFASRWEC-UHFFFAOYSA-N;139.15;1.1;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC5_SP1";;;;;;;0.81;;-0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM443209;MM443209;C=CCC(=C)C1CC1NC;SXARLBCXSQRTJB-UHFFFAOYSA-N;137.23;1.73;;;;;DOPC;MDCG;27;1;"MARTINI bead: SNd_C1";;;;;;;2.91;;-0.46;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM443210;MM443210;Cn1oc(CF)cc1=NO;YATAOOYTNNQDBY-UHFFFAOYSA-N;146.12;0.38;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP1_SNa";;;;;;;0.04;;-2.54;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM443211;MM443211;C=CC=C1CN=C(C=C)N1;NRVAQWQHVOADAV-UHFFFAOYSA-N;134.18;1.24;;;;;DOPC;MDCG;27;1;"MARTINI bead: SNd_SN0";;;;;;;1.17;;-2.79;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM443212;MM443212;C=Cc1ccc(CO)n1O;ZBEJQBOELTXVFK-UHFFFAOYSA-N;139.15;0.86;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP1_SN0";;;;;;;0.34;;-1.53;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM443213;MM443213;C=CCC(=O)C1CC1NC;WQJOBBFJJIURMO-UHFFFAOYSA-N;139.2;0.74;;;;;DOPC;MDCG;27;1;"MARTINI bead: SNd_Na";;;;;;;0.87;;-3.93;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM443214;MM443214;CC=CCCOC(C)=NN;SJPQOPBYTNETSC-UHFFFAOYSA-N;142.2;1.26;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1_P2";;;;;;;1.8;;0.4;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM443215;MM443215;C=CC=C1CN=C(C=O)N1;SAHWTDVSNDSIKC-UHFFFAOYSA-N;136.15;0.26;;;;;DOPC;MDCG;27;0;"MARTINI bead: SN0_SP2";;;;;;;0.06;;-2.21;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM443216;MM443216;N#Cc1ccc(CO)n1O;VYHFBBMRRHICHS-UHFFFAOYSA-N;138.13;0.09;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNda_SNda";;;;;;;0.87;;-2.07;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM443217;MM443217;CNC1CC1C(=O)CC#N;PTNDYXFKJROLNP-UHFFFAOYSA-N;138.17;0.08;;;;;DOPC;MDCG;27;1;"MARTINI bead: SNd_Na";;;;;;;0.87;;-3.93;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM443218;MM443218;CC#CCCOC(C)=NN;PDMHIOZKNNGECR-UHFFFAOYSA-N;140.19;0.71;;;;;DOPC;MDCG;27;0;"MARTINI bead: C3_P2";;;;;;;1.46;;-0.15;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM443219;MM443219;C=CC=C1CN=C(C#N)N1;OERLRIQGOYSHCD-UHFFFAOYSA-N;133.15;0.58;;;;;DOPC;MDCG;27;0;"MARTINI bead: SN0_SP1";;;;;;;0.34;;-1.53;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM443220;MM443220;CNc1ccc(C#N)n1C;FFVXNBPZFDWTEP-UHFFFAOYSA-N;135.17;0.94;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNd_SN0";;;;;;;1.17;;-1.04;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM443221;MM443221;C=CNC(=N)C1CC1NC;MOYHMIPGDPDGGA-UHFFFAOYSA-N;139.2;0.3;;;;;DOPC;MDCG;27;1;"MARTINI bead: SNd_Nd";;;;;;;0.87;;-6.56;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM443222;MM443222;CC=NNC1CC1(C)C#N;ADNHIYHRJHFMTK-UHFFFAOYSA-N;137.19;0.88;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nd_SN0";;;;;;;1.17;;-1.04;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM443223;MM443223;C=CC=CCC(O)C(C)C;UUHVWNJCGNGONF-UHFFFAOYSA-N;140.23;2.14;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda_C1";;;;;;;2.91;;0.57;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM443224;MM443224;C=Cc1ccc(NC)n1N;WKAZFZXYUHDKDJ-UHFFFAOYSA-N;137.19;0.89;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNd_SN0";;;;;;;1.17;;-1.04;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM443225;MM443225;C=COC(=C)C1CC1NC;MXMCTACLLKOTNG-UHFFFAOYSA-N;139.2;1.27;;;;;DOPC;MDCG;27;1;"MARTINI bead: SNd_C3";;;;;;;2.57;;-1.18;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM443226;MM443226;C=NN=C(NCCC)OC;BOGCMMOKBARSIY-UHFFFAOYSA-N;143.19;0.6;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nd_Na";;;;;;;0.87;;-1.88;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM443227;MM443227;CC(C)C(O)CC=CC=O;ZJCHVHRPQQHCQB-UHFFFAOYSA-N;142.2;1.15;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda_Na";;;;;;;0.87;;-1.99;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM443228;MM443228;C=NNC(=NC)OCC;DHHWPCATEWUAES-UHFFFAOYSA-N;129.16;0.21;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_P1";;;;;;;0.81;;-0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM443229;MM443229;C=CCC(=C)C1CC1OC;ZUTQYEUPZFJOFR-UHFFFAOYSA-N;138.21;2.15;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNa_C1";;;;;;;2.91;;0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM443230;MM443230;Cc1cc(=NN)nnn1N;CVNYGAMBCVMXCX-UHFFFAOYSA-N;140.15;-1.93;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP1_SP3";;;;;;;-1.93;;-4.72;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM443231;MM443231;C=NN=C1CN=C(C#N)N1;BLNAQNDAIPCLEI-UHFFFAOYSA-N;135.13;-0.47;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNd_SP1";;;;;;;0.04;;-2.63;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM443232;MM443232;CNc1ccc(C#N)n1O;YIPJQTGGHSBTHJ-UHFFFAOYSA-N;137.14;0.64;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNd_SNda";;;;;;;0.87;;-1.92;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM443233;MM443233;C=C(CC#N)C1CC1OC;CLANTCDIZDEYKJ-UHFFFAOYSA-N;137.18;1.49;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNa_N0";;;;;;;1.17;;-1.18;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM443234;MM443234;Cn1nnc(=NN)cc1N;KAHHIUORXALCQY-UHFFFAOYSA-N;140.15;-1.83;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP2_SP3";;;;;;;-2.2;;-5.19;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM443235;MM443235;N#CC=C1NC=C(C=O)N1;HAWZUMHYYNSIGA-UHFFFAOYSA-N;135.13;-0.42;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP3_SP1";;;;;;;-1.93;;-4.72;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM443236;MM443236;C=Cc1ccc(OC)n1C;IUHZVKKZXSVGSI-UHFFFAOYSA-N;137.18;1.68;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNa_SN0";;;;;;;1.17;;-1.18;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM443237;MM443237;COC1CC1C(=O)CC#N;BPIXYNFOFPGSJJ-UHFFFAOYSA-N;139.15;0.5;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNa_Na";;;;;;;0.87;;-2.22;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM443238;MM443238;CCc1cc(=NO)n(O)o1;MHBBCWPRCOUFRL-UHFFFAOYSA-N;144.13;0.17;;;;;DOPC;MDCG;27;0;"MARTINI bead: SN0_SP2";;;;;;;0.06;;-2.21;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM443239;MM443239;N#CC1=CNC(=CC=O)N1;XWSGWQNNDIAKJR-UHFFFAOYSA-N;135.13;-0.42;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP1_SP2";;;;;;;-1.06;;-3.82;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM443240;MM443240;COc1ccc(C=O)n1C;JZSKMNVPJFVLIV-UHFFFAOYSA-N;139.15;0.85;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNa_SNa";;;;;;;0.87;;-2.22;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM443241;MM443241;C=C(NC=N)C1CC1OC;OXVDODSZEFBJIS-UHFFFAOYSA-N;140.19;0.73;;;;;DOPC;MDCG;27;1;"MARTINI bead: SNa_Nd";;;;;;;0.87;;-5.77;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM443242;MM443242;CN=c1cc(NC)on1C;JDBMGTPJZGPMBT-UHFFFAOYSA-N;141.17;0.19;;;;;DOPC;MDCG;27;1;"MARTINI bead: SNd_SP1";;;;;;;0.04;;-3.81;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM443243;MM443243;C#CCCC(O)(C=C)CC;BMQNUOPDZQUPIX-UHFFFAOYSA-N;138.21;1.73;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_C5";;;;;;;2.41;;0.64;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM443244;MM443244;COc1ccc(C#N)n1C;IVMWTDAJKIGLFN-UHFFFAOYSA-N;136.15;0.91;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNa_SN0";;;;;;;1.17;;-1.18;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM443245;MM443245;C=COC(=C)C1CC1OC;FGDOGQAUVJEANL-UHFFFAOYSA-N;140.18;1.7;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNa_C3";;;;;;;2.57;;0.45;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM443246;MM443246;CNc1cc(=NO)n(C)o1;OYACKIJNPYJRCQ-UHFFFAOYSA-N;143.15;-0.05;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNd_SP1";;;;;;;0.04;;-2.63;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM443247;MM443247;C#CC1(C)NC(CC)C1=O;JVIGZHTWCDYNFA-UHFFFAOYSA-N;137.18;0.33;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNd_SP1";;;;;;;0.04;;-2.63;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM443248;MM443248;C=Cc1ccc(OC)n1N;BPGOSPOAYYFIIV-UHFFFAOYSA-N;138.17;0.85;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNda_SN0";;;;;;;1.17;;-1.13;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM443249;MM443249;C=CC(C#N)NC(=N)C=O;HHMPHFVREKTBGP-UHFFFAOYSA-N;137.14;-0.17;;;;;DOPC;MDCG;27;0;"MARTINI bead: N0_P3";;;;;;;-0.8;;-2.99;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM443250;MM443250;NN=c1cc(N)n(N)nn1;KMZZPUKJNWEMQR-UHFFFAOYSA-N;141.14;-2.65;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP2_SP3";;;;;;;-2.2;;-5.19;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM443251;MM443251;C=CC1=NC(=CC=O)NN1;FTIXLZJOPOCBPW-UHFFFAOYSA-N;137.14;-0.28;;;;;DOPC;MDCG;27;1;"MARTINI bead: SP2_SP2";;;;;;;-1.34;;-5.58;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM443252;MM443252;COc1ccc(C#N)n1O;LAZZLANPHICBKC-UHFFFAOYSA-N;138.13;0.61;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNa_SNda";;;;;;;0.87;;-1.99;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM443253;MM443253;C=CCC(=C)C1NC1CF;VLLRUSJKHUQGCB-UHFFFAOYSA-N;141.19;1.43;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP1_C2";;;;;;;2;;0.31;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM443254;MM443254;N=c1nnc(=NN)cco1;XCCHWHBFGZRIRZ-UHFFFAOYSA-N;139.12;-1.68;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP2_SP2";;;;;;;-1.34;;-4.31;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM443255;MM443255;C=CC1=NC(=CC#N)NN1;PYRLCOYXHBIURC-UHFFFAOYSA-N;134.14;0.04;;;;;DOPC;MDCG;27;1;"MARTINI bead: SP2_SP2";;;;;;;-1.34;;-5.32;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM443256;MM443256;CC(=O)CC(C)N1CC1;QXFKLZNFICBWBB-UHFFFAOYSA-N;127.19;0.67;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_SNd";;;;;;;0.04;;-2.63;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM443257;MM443257;CC(=O)CCN(C=N)C=O;XDNXHPHXMBZWFP-UHFFFAOYSA-N;142.16;0.03;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_P4";;;;;;;-1.19;;-4.76;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM443258;MM443258;NN=c1ccoc(=O)nn1;BZJGEBCHGLBTLT-UHFFFAOYSA-N;140.1;-1.8;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP2_SP2";;;;;;;-1.34;;-4.31;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM443259;MM443259;CCC1(C)OCC(=NN)O1;ZXOAIHFGXTYRHW-UHFFFAOYSA-N;144.17;0.43;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNa_SP2";;;;;;;-0.24;;-3.24;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM443260;MM443260;C=Cc1ncc(CF)n1C;XMWIYZVEXRYBCX-UHFFFAOYSA-N;140.16;1.53;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNa_SNa";;;;;;;0.87;;-2.22;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM443261;MM443261;C=C(NC=N)C1NC1CN;FTXYZCHHNNGOMK-UHFFFAOYSA-N;140.19;-1;;;;;DOPC;MDCG;27;1;"MARTINI bead: SP2_P2";;;;;;;-1.34;;-7.92;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM443262;MM443262;CNc1cc(=NO)n(O)o1;XKMCYRNYAUUGQD-UHFFFAOYSA-N;145.12;-0.35;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNd_SP2";;;;;;;-0.24;;-3.16;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM443263;MM443263;C=CC1(C)OCC(=NN)O1;FLSDDLVDBZPZEM-UHFFFAOYSA-N;142.16;0.21;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNa_SP2";;;;;;;-0.24;;-3.24;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM443264;MM443264;C=Cc1ncc(CC)n1N;XLAXUJMYVHPFPN-UHFFFAOYSA-N;137.19;0.8;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNd_SNa";;;;;;;0.87;;-1.88;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM443265;MM443265;C=COC(=C)C1NC1CN;NEBVAYOITFLBJQ-UHFFFAOYSA-N;140.19;-0.04;;;;;DOPC;MDCG;27;1;"MARTINI bead: SP2_C5";;;;;;;0.54;;-3.01;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM443266;MM443266;C=CC1(O)CCC(=C)CC1;UPKWIYLSZYQHAA-UHFFFAOYSA-N;138.21;2.03;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC5_SC3";;;;;;;3.34;;0.48;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM443267;MM443267;Cn1oc(=O)n(C)c1=NN;LVOOCPAHCIQVHR-UHFFFAOYSA-N;144.13;-1.91;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP2_SP2";;;;;;;-1.34;;-4.31;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM443268;MM443268;Cc1onc(C=O)c1N;BFDBMNWMLSJRHD-UHFFFAOYSA-N;126.12;0.38;;;;;DOPC;MDCG;27;0;"MARTINI bead: SN0_SP1";;;;;;;0.34;;-1.53;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM443269;MM443269;N#CC(=N)NC1(C#N)CC1;MUSNVVCTGKDVGB-UHFFFAOYSA-N;134.14;0.13;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_SN0";;;;;;;0.06;;-2.21;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM443270;MM443270;CCC(C)OC(CF)=NN;INTBKZMODQDUSC-UHFFFAOYSA-N;148.18;1.04;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1_P2";;;;;;;1.8;;0.4;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM443271;MM443271;COc1cc(=NO)n(C)o1;GRHSRYRYEVTWSH-UHFFFAOYSA-N;144.13;-0.08;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNa_SP1";;;;;;;0.04;;-2.54;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM443272;MM443272;CC=C(C)C1NC1C=O;IFDLFXABGVWSPE-UHFFFAOYSA-N;125.17;0.49;;;;;DOPC;MDCG;27;0;"MARTINI bead: C2_SP2";;;;;;;1.72;;0.27;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM443273;MM443273;C=CCC(=C)C1OC1CC;RRDCORWCEGFYAQ-UHFFFAOYSA-N;138.21;2.3;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNa_C2";;;;;;;2.83;;0.35;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM443274;MM443274;C=CC=C1CC=C(C=C)O1;NDAYEYOBOGRBKZ-UHFFFAOYSA-N;134.18;2.55;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC5_SN0";;;;;;;1.94;;0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM443275;MM443275;C=C1C(NC)=NN=C1OC;YLCFUTBCCHLFGO-UHFFFAOYSA-N;139.16;0.13;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNd_SNa";;;;;;;0.87;;-1.88;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM443276;MM443276;CCc1cnc(C#N)n1O;SMIOGBIRWUYYJR-UHFFFAOYSA-N;137.14;0.55;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNda_SNa";;;;;;;0.87;;-1.99;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM443277;MM443277;C=C(CC#N)C1OC1CO;KIDGCIOIYZGOTN-UHFFFAOYSA-N;139.15;0.22;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP2_N0";;;;;;;0.06;;-2.21;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM443278;MM443278;C=CC=C1CC=C(C=O)O1;HMAJRJVJHRWTLG-UHFFFAOYSA-N;136.15;1.56;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC5_SNa";;;;;;;1.64;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM443279;MM443279;C#Cc1onc(CC)c1N;MESWESAMSLINHG-UHFFFAOYSA-N;136.15;0.8;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC5_SNd";;;;;;;1.64;;0.02;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM443280;MM443280;CNc1cnc(C=O)n1C;FBAGSUJIRHPREN-UHFFFAOYSA-N;139.16;0.27;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNd_SP1";;;;;;;0.04;;-2.63;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM443281;MM443281;C=CCC(=O)C1OC1CC;IOZDRCYJDMZWTB-UHFFFAOYSA-N;140.18;1.31;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNa_Na";;;;;;;0.87;;-2.22;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM443282;MM443282;C=CC=C1CC=C(C#N)O1;ZKQBYSVIMMIXBE-UHFFFAOYSA-N;133.15;1.88;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC5_SNa";;;;;;;1.64;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM443283;MM443283;CCC(O)C1C(C)C1CC;GUAOMHDJMGDQPZ-UHFFFAOYSA-N;142.24;2.05;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda_SC3";;;;;;;2.57;;0.44;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM443284;MM443284;CNc1cnc(C#N)n1O;ORYLVBPTKXIIKX-UHFFFAOYSA-N;138.13;0.03;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP2_SNa";;;;;;;-0.24;;-3.24;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM443285;MM443285;C=CNC(=N)C1OC1CN;XIORUMXHLXQFPV-UHFFFAOYSA-N;141.17;-0.58;;;;;DOPC;MDCG;27;1;"MARTINI bead: SP2_P2";;;;;;;-1.34;;-7.14;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM443286;MM443286;N#CC=C1NC=C(C=O)O1;GPUYZLDSKUSOLD-UHFFFAOYSA-N;136.11;0.01;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP3_SNda";;;;;;;-1.1;;-3.97;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM443287;MM443287;CC=NNC=NOCOC;VKCRXXKOGKEBFK-UHFFFAOYSA-N;145.16;0.15;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_Nd";;;;;;;0.04;;-2.63;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM443288;MM443288;C=Cc1ncc(OC)n1C;RNMQKENTWBCXMS-UHFFFAOYSA-N;138.17;1.07;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNa_SNa";;;;;;;0.87;;-2.22;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM443289;MM443289;C=CNC(=O)C1OC1CO;ADAQVLRLPMPEPN-UHFFFAOYSA-N;143.14;-0.99;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP2_P2";;;;;;;-1.34;;-4.31;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM443290;MM443290;N#CC=C1NC=C(C#N)O1;BOAOYXAVFWNOAF-UHFFFAOYSA-N;133.11;0.34;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNda_SP1";;;;;;;0.04;;-2.73;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM443291;MM443291;CN1CC(=O)C1;YPACESJCWQAHBF-UHFFFAOYSA-N;85.11;-0.5;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNd_SP3";;;;;;;-1.1;;-3.93;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM443292;MM443292;COc1cnc(C#N)n1C;MABNMUDWRRYNAV-UHFFFAOYSA-N;137.14;0.3;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNa_SNa";;;;;;;0.87;;-2.22;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM443293;MM443293;C=COC(=C)C1OC1CC;BSSPGXAUKZPXKO-UHFFFAOYSA-N;140.18;1.84;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNa_C5";;;;;;;1.64;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM443294;MM443294;COC(COC(C)C)=NN;LYYYUXHJOMZKBW-UHFFFAOYSA-N;146.19;0.33;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda_Na";;;;;;;0.87;;-1.99;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM443295;MM443295;CC1CN(C)CC1=O;GKVSNVPJRHQGOZ-UHFFFAOYSA-N;113.16;0.14;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNd_SP2";;;;;;;-0.24;;-3.16;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM443296;MM443296;CCc1ncc(C=O)n1C;UNGLSGHFTORACZ-UHFFFAOYSA-N;138.17;0.8;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNa_SP1";;;;;;;0.04;;-2.54;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM443297;MM443297;C=CCC(=C)C1CN1CC;BBXGRELDVNOVFS-UHFFFAOYSA-N;137.23;1.82;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNd_C2";;;;;;;2.83;;0.66;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM443298;MM443298;N#CC=C1NN=C(C=O)O1;NZBXGDUSLJJQMV-UHFFFAOYSA-N;137.1;-0.52;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP2_SNda";;;;;;;-0.24;;-3.31;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM443299;MM443299;CCc1nc(=NO)n(C)o1;ABHTYZDHLBLPIO-UHFFFAOYSA-N;143.15;-0.13;;;;;DOPC;MDCG;27;0;"MARTINI bead: SN0_SP2";;;;;;;0.06;;-2.21;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM443300;MM443300;CCc1ncc(C#N)n1C;DZGPUIWVSDRJBE-UHFFFAOYSA-N;135.17;0.85;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNa_SP1";;;;;;;0.04;;-2.54;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM443301;MM443301;CN=C(N)C(=O)N(C)C=O;MEHPPAKIQKTYFD-UHFFFAOYSA-N;143.15;-1.41;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_P2";;;;;;;-1.34;;-4.31;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM443302;MM443302;N#CC=C1NN=C(C#N)O1;RZNIETHQWARMID-UHFFFAOYSA-N;134.1;-0.19;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNda_SP1";;;;;;;0.04;;-2.73;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM443303;MM443303;C=CC(C)CC(C)(C)O;JQBPRERFGGURRW-UHFFFAOYSA-N;128.22;1.97;;;;;DOPC;MDCG;27;0;"MARTINI bead: C2_Nda";;;;;;;2.83;;0.57;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM443304;MM443304;C=CCCC1NC1C=O;AUPNIGSCZDDSKA-UHFFFAOYSA-N;125.17;0.49;;;;;DOPC;MDCG;27;0;"MARTINI bead: C3_SP2";;;;;;;1.46;;-0.15;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM443305;MM443305;C=CNC(=N)C1CN1CC;DKGHGGHJPLZTNN-UHFFFAOYSA-N;139.2;0.4;;;;;DOPC;MDCG;27;1;"MARTINI bead: SNd_P2";;;;;;;-0.24;;-6.25;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM443306;MM443306;C=Cc1coc(=NN=C)o1;GNWFNNOIRWJJBB-UHFFFAOYSA-N;138.13;1.03;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP1_P2";;;;;;;-1.06;;-3.82;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM443307;MM443307;CCc1nc(=NC)n(N)o1;XSYJYKVSPBRGON-UHFFFAOYSA-N;142.16;-0.72;;;;;DOPC;MDCG;27;0;"MARTINI bead: SN0_SP2";;;;;;;0.06;;-2.21;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM443308;MM443308;O=CC1NC1CC1CC1;DWCSTOXXSNVZLZ-UHFFFAOYSA-N;125.17;0.33;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP2_SC5";;;;;;;0.54;;-1.09;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM443309;MM443309;C#CC(=C)C(C#N)NN=C;RCWRVBFOSJZSLA-UHFFFAOYSA-N;133.15;0.27;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_N0";;;;;;;0.34;;-1.53;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM443310;MM443310;C=NN=c1occ(C=O)o1;UEAYKZUODJRYPK-UHFFFAOYSA-N;140.1;0.2;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_SP2";;;;;;;-1.34;;-4.31;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM443311;MM443311;CON(C)C=NC=NN;IUJVSCDPMKTPFO-UHFFFAOYSA-N;130.15;-0.59;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_P1";;;;;;;-0.79;;-3.13;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM443312;MM443312;CCc1ncc(C=O)n1O;WKQCFFMFTVAJAA-UHFFFAOYSA-N;140.14;0.5;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNa_SP2";;;;;;;-0.24;;-3.24;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM443313;MM443313;CCC1CN1C(=N)CC#N;VBOQFROESKCDBJ-UHFFFAOYSA-N;137.19;0.97;;;;;DOPC;MDCG;27;1;"MARTINI bead: SP1_P2";;;;;;;-1.06;;-5.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM443314;MM443314;C=NN=c1occ(C#N)o1;OSWYMRAHYADOFB-UHFFFAOYSA-N;137.1;0.26;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_SP2";;;;;;;-1.34;;-4.31;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM443315;MM443315;CN=c1nc(CF)on1N;CPXFPKGCRHVGHR-UHFFFAOYSA-N;146.13;-0.81;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP2_SNa";;;;;;;-0.24;;-3.24;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM443316;MM443316;CCc1ncc(C#N)n1O;LPMFYNCVMYDHTL-UHFFFAOYSA-N;137.14;0.55;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNa_SP1";;;;;;;0.04;;-2.54;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM443317;MM443317;C=CCC(=N)N1CC1CO;QCALCNGDVGGJJU-UHFFFAOYSA-N;140.19;0.22;;;;;DOPC;MDCG;27;1;"MARTINI bead: SP2_P1";;;;;;;-1.06;;-6.76;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM443318;MM443318;C=Cc1noc(=NN=C)o1;JWWNULXVZXSPOQ-UHFFFAOYSA-N;139.11;0.43;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP2_P2";;;;;;;-1.34;;-4.31;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM443319;MM443319;NN=CN=CN(N)C=O;DOCZBMNSVUIYDU-UHFFFAOYSA-N;129.12;-1.75;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_P4";;;;;;;-2.01;;-5.13;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM443320;MM443320;C=Cc1cnc(CO)n1O;MPPBGQMUUJSAKP-UHFFFAOYSA-N;140.14;0.26;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP2_SP1";;;;;;;-1.06;;-3.82;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM443321;MM443321;C=NNC(=N)N1CC1CC;MKUVBHYBZHELIS-UHFFFAOYSA-N;140.19;0.22;;;;;DOPC;MDCG;27;1;"MARTINI bead: SP1_P2";;;;;;;-1.06;;-6.03;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM443322;MM443322;C=NN=c1onc(C=O)o1;CIEONJVAUPWEKQ-UHFFFAOYSA-N;141.09;-0.4;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_SP3";;;;;;;-2.2;;-5.19;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM443323;MM443323;C=NNC(CC)CC#N;PACOEYPEJJNPDC-UHFFFAOYSA-N;125.18;0.88;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_P1";;;;;;;0.81;;-0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM443324;MM443324;CNc1ncc(C=O)n1C;GVEHYLXJMJAKDC-UHFFFAOYSA-N;139.16;0.27;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNda_SP1";;;;;;;0.04;;-2.73;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM443325;MM443325;C#CCC(=C)C1CC1CC;IMPHMGGXPDYHPO-UHFFFAOYSA-N;134.22;2.61;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC3_C4";;;;;;;3.9;;0.47;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM443326;MM443326;C=NN=c1onc(C#N)o1;GBXGJHUGNBPTTI-UHFFFAOYSA-N;138.09;-0.34;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_SP2";;;;;;;-1.34;;-4.31;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM443327;MM443327;Nc1oc(N)c(F)c1N;ARYXQBMOJVDZFE-UHFFFAOYSA-N;131.11;0.17;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNd_SNda";;;;;;;0.87;;-1.92;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM443328;MM443328;CNc1ncc(C#N)n1C;CAKQOQFOSRNMPN-UHFFFAOYSA-N;136.16;0.33;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNda_SP1";;;;;;;0.04;;-2.73;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM443329;MM443329;C=C(C(C)=O)C1C(C)N1C;CAJKGRQWHBQEEF-UHFFFAOYSA-N;139.2;0.83;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNd_Na";;;;;;;0.87;;-1.88;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM443330;MM443330;C#CC=C1CC=C(C=C)C1;PFECGHBCMCNLKO-UHFFFAOYSA-N;130.19;2.45;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC3_SC4";;;;;;;3.9;;0.47;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM443331;MM443331;CCc1nc(=NO)n(N)o1;DRXXSURYZMXQGL-UHFFFAOYSA-N;144.13;-0.96;;;;;DOPC;MDCG;27;0;"MARTINI bead: SN0_SP3";;;;;;;-0.8;;-2.99;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM443332;MM443332;C=NNCC(C)(C)C(C)=O;FRSLKHMRLCSYDT-UHFFFAOYSA-N;142.2;0.81;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_Nd";;;;;;;0.87;;-1.88;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM443333;MM443333;C#CCC(=C)C1CC1CF;DWTKNUVKSZOHEE-UHFFFAOYSA-N;138.19;2.17;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC5_C4";;;;;;;2.97;;0.45;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM443334;MM443334;C#CC=C1CC=C(C=O)C1;QWATXURWDIJUCR-UHFFFAOYSA-N;132.16;1.47;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNa_SC4";;;;;;;2.2;;0.34;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM443335;MM443335;C#CC1CC(=O)N(C)N1;URVOHLRZJIGOGF-UHFFFAOYSA-N;124.14;-0.65;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP2_SP3";;;;;;;-2.2;;-5.19;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM443336;MM443336;CNc1ncc(C#N)n1O;GAXIKPOEINAZHG-UHFFFAOYSA-N;138.13;0.03;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNda_SP1";;;;;;;0.04;;-2.73;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM443337;MM443337;C#CCC(=O)C1CC1CC;LTFUDANBWOXOGB-UHFFFAOYSA-N;136.19;1.62;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC3_Na";;;;;;;2.57;;0.45;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM443338;MM443338;C#CC=C1CC=C(C#N)C1;SEKSYPMOLWMTCC-UHFFFAOYSA-N;129.16;1.79;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC4_SN0";;;;;;;2.5;;0.44;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM443339;MM443339;N=C(N)C(=O)CC1CO1;OQVHZFQZYWEMPA-UHFFFAOYSA-N;128.13;-0.72;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_SP1";;;;;;;-1.06;;-3.82;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM443340;MM443340;C=Cc1cnc(OC)n1C;FNIWITDDBMGHME-UHFFFAOYSA-N;138.17;1.07;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNa_SP1";;;;;;;0.04;;-2.54;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM443341;MM443341;C#CCC(=O)C1CC1CO;JUOHARXMSGGJCR-UHFFFAOYSA-N;138.17;0.21;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNda_Na";;;;;;;0.87;;-1.99;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM443342;MM443342;C#CC=C1CC(C=C)=CO1;QTTMRLREZDWAGB-UHFFFAOYSA-N;132.16;1.99;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC5_SC5";;;;;;;2.41;;0.64;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM443343;MM443343;CC=CC(C)CC(C)(C)O;XCELUNIERYRUII-UHFFFAOYSA-N;142.24;2.36;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1_Nda";;;;;;;2.91;;0.57;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM443344;MM443344;C=Cc1cnc(OC)n1N;AOWWTCXPIJMYES-UHFFFAOYSA-N;139.16;0.25;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNa_SP1";;;;;;;0.04;;-2.54;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM443345;MM443345;C#CCC(=O)C1CC1NC;IMQJWUQWPWXRDR-UHFFFAOYSA-N;137.18;0.19;;;;;DOPC;MDCG;27;1;"MARTINI bead: SNd_Na";;;;;;;0.87;;-3.93;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM443346;MM443346;C#CC=C1CC(C=O)=CO1;HODLAAZMQLHJFL-UHFFFAOYSA-N;134.13;1.01;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNa_SC5";;;;;;;1.64;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM443347;MM443347;CC(C=CF)CC(C)(C)O;PBCURTUKHSKXLQ-UHFFFAOYSA-N;146.21;2.27;;;;;DOPC;MDCG;27;0;"MARTINI bead: C3_Nda";;;;;;;2.57;;0.44;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM443348;MM443348;C=Cc1nnc(CC)n1C;LCIUVQQHVQAQCT-UHFFFAOYSA-N;137.19;1.02;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNa_SNa";;;;;;;0.87;;-2.22;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM443349;MM443349;C#CCC(=C)C1CC1OC;CPOGAIXMUBUETM-UHFFFAOYSA-N;136.19;1.6;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNa_C4";;;;;;;2.2;;0.34;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM443350;MM443350;C#CC=C1CC(C#N)=CO1;HGCVCZSPJDUWGP-UHFFFAOYSA-N;131.13;1.33;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC5_SN0";;;;;;;1.94;;0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM443351;MM443351;CNC1=NC(=N)C(C)(C)O1;NCBUKOJFVGCJMD-UHFFFAOYSA-N;141.17;0.35;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP1_SNd";;;;;;;0.04;;-2.63;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM443352;MM443352;CCc1nnc(C=O)n1C;WZFZKHJTRVHQGN-UHFFFAOYSA-N;139.16;0.19;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNa_SP1";;;;;;;0.04;;-2.54;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM443353;MM443353;C#CCC(=C)C1NC1CN;AYBWQIQKNAMVSC-UHFFFAOYSA-N;136.2;-0.14;;;;;DOPC;MDCG;27;1;"MARTINI bead: SP2_C5";;;;;;;0.54;;-3.01;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM443354;MM443354;C#CC=C1CNC(C=C)=N1;KNKDRGOUZGFODM-UHFFFAOYSA-N;132.17;0.69;;;;;DOPC;MDCG;27;1;"MARTINI bead: SNd_SP1";;;;;;;0.04;;-4.25;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM443355;MM443355;C=C(C)CCC(O)C(C)C;YLVWRIQBFAIGMJ-UHFFFAOYSA-N;142.24;2.36;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda_C1";;;;;;;2.91;;0.57;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM443356;MM443356;CCc1nnc(C#N)n1C;VETCQQJMDCIQBC-UHFFFAOYSA-N;136.16;0.25;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNa_SP1";;;;;;;0.04;;-2.54;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM443357;MM443357;C#CC1=CCN(N)C(=O)C1;SQZLOCREDNCZIR-UHFFFAOYSA-N;136.15;-0.35;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP1_SP1";;;;;;;-0.79;;-3.13;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM443358;MM443358;CC(F)COC(CF)=NN;PVVOCPMWEQHZAJ-UHFFFAOYSA-N;152.14;0.6;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_P2";;;;;;;0.54;;-1.09;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM443359;MM443359;C=C(C)CC(C)C(O)CC;DEOBVGOQQSEVDW-UHFFFAOYSA-N;142.24;2.36;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_C4";;;;;;;2.97;;0.45;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM443360;MM443360;CCC(C)CC(O)C(C)C;YBKJOGZWSYMAJR-UHFFFAOYSA-N;144.26;2.44;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1_Nda";;;;;;;2.91;;0.57;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM443361;MM443361;C#CCC(=C)C1OC1CC;KMQKVBHQGYCLMY-UHFFFAOYSA-N;136.19;1.74;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNa_C5";;;;;;;1.64;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM443362;MM443362;NN=C(CF)OCC(F)F;ODIRZLUFJTZKJU-UHFFFAOYSA-N;156.11;0.51;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_N0";;;;;;;0.34;;-1.53;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM443363;MM443363;CN=c1nc(NC)on1C;RIENUZPBHPFUSV-UHFFFAOYSA-N;142.16;-0.41;;;;;DOPC;MDCG;27;1;"MARTINI bead: SNd_SP1";;;;;;;0.04;;-4.43;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM443364;MM443364;Cn1c(C=O)nnc1CF;IWXHGBZTZOYNHY-UHFFFAOYSA-N;143.12;0.1;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP1_SP1";;;;;;;-0.79;;-3.13;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM443365;MM443365;C#CCC(=C)C1OC1CO;JTMPYPLBLWWQKL-UHFFFAOYSA-N;138.17;0.33;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP2_C5";;;;;;;0.54;;-1.09;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM443366;MM443366;C#CC=C1CC=C(C=C)O1;HWYDWOFKWULEMN-UHFFFAOYSA-N;132.16;1.99;;;;;DOPC;MDCG;27;0;"MARTINI bead: SN0_SC5";;;;;;;1.94;;0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM443367;MM443367;CNc1nc(=NO)n(C)o1;BUISGYWHYQYZQS-UHFFFAOYSA-N;144.13;-0.66;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNd_SP2";;;;;;;-0.24;;-3.16;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM443368;MM443368;Cn1c(C#N)nnc1CF;RGFUELMNWWUBDU-UHFFFAOYSA-N;140.12;0.16;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP1_SP1";;;;;;;-0.79;;-3.13;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM443369;MM443369;C#CCC(=O)C1OC1CC;LTJUIBLSGDKAHN-UHFFFAOYSA-N;138.17;0.76;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNa_Na";;;;;;;0.87;;-2.22;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM443370;MM443370;C#CC=C1CC=C(C=O)O1;VPFOPOOLKFBBAL-UHFFFAOYSA-N;134.13;1.01;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNa_SC5";;;;;;;1.64;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM443371;MM443371;COC(=NC(C)=O)N(C)N;MBHDRIYUZPLBOD-UHFFFAOYSA-N;145.16;-0.66;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_Na";;;;;;;-0.24;;-3.24;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM443372;MM443372;C=Cc1nnc(CC)n1N;DVNMFTTYQAQFEX-UHFFFAOYSA-N;138.17;0.2;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP1_SNa";;;;;;;0.04;;-2.54;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM443373;MM443373;N#CC=C1N=CN(C=O)N1;MCLBCLPNIDBSLD-UHFFFAOYSA-N;136.11;-0.64;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP3_SP2";;;;;;;-2.2;;-5.19;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM443374;MM443374;C#CC=C1CC=C(C#N)O1;HKCSYDTUOVLGMS-UHFFFAOYSA-N;131.13;1.33;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC5_SNa";;;;;;;1.64;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM443375;MM443375;CNc1nc(=NO)n(N)o1;WERGYGGGVUNFDJ-UHFFFAOYSA-N;145.12;-1.48;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNd_SP3";;;;;;;-1.1;;-3.93;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM443376;MM443376;C=Cc1nnc(NC)n1C;SFNCVMGXUABHDS-UHFFFAOYSA-N;138.17;0.5;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNda_SNa";;;;;;;0.87;;-1.99;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM443377;MM443377;C#CCC(=N)N1CC1CN;ZVRJQXDKTUQYHP-UHFFFAOYSA-N;137.19;-0.37;;;;;DOPC;MDCG;27;1;"MARTINI bead: SP2_P1";;;;;;;-1.06;;-5.85;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM443378;MM443378;C#CC1=CCC(=CCC)C1;OPBHTOJQYQYKEA-UHFFFAOYSA-N;132.21;2.68;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC1_SC5";;;;;;;3.68;;0.46;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM443379;MM443379;NN=CN=CN(N)C=CF;WDTKPVUUMKNMCW-UHFFFAOYSA-N;145.14;-0.47;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_Na";;;;;;;-0.24;;-3.24;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM443380;MM443380;N=C(NC=C(F)F)OC=O;KOZLLXRZINBLQQ-UHFFFAOYSA-N;150.08;0.42;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4_P3";;;;;;;0.23;;-1.03;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM443381;MM443381;C#CCC(=O)N1CC1CC;OHJRCEWERBEPOA-UHFFFAOYSA-N;137.18;0.63;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP1_P2";;;;;;;-1.06;;-3.82;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM443382;MM443382;C#CC1=CCC(=CCN)C1;LPAQFPWBDZNPRE-UHFFFAOYSA-N;133.19;1.22;;;;;DOPC;MDCG;27;1;"MARTINI bead: SNd_SC5";;;;;;;1.64;;-2.14;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM443383;MM443383;CN=c1nc(OC)on1C;IZLPBHVWUWGIOF-UHFFFAOYSA-N;143.15;-0.45;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNa_SP1";;;;;;;0.04;;-2.54;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM443384;MM443384;C#CC(C)OC(=N)NN=C;SPYNJXIRNQIZDZ-UHFFFAOYSA-N;139.16;0.16;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_P2";;;;;;;0.54;;-1.09;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM443385;MM443385;C=CC1CC1C(=C)CCC;BFHVREDVMKJLIF-UHFFFAOYSA-N;136.24;3.16;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1_SC4";;;;;;;4.24;;0.42;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM443386;MM443386;C#CC1=CCC(=CCO)C1;YSYSMOMGUXJWQQ-UHFFFAOYSA-N;134.18;1.26;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNda_SC5";;;;;;;1.64;;0.05;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM443387;MM443387;CN(C)N(C)C=NC=NN;LHAZRAMJAXPALC-UHFFFAOYSA-N;143.19;-0.67;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_P1";;;;;;;-1.06;;-3.82;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM443388;MM443388;C=Cc1nnc(OC)n1C;XZAHPBSMPZIQCX-UHFFFAOYSA-N;139.16;0.47;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP1_SNa";;;;;;;0.04;;-2.54;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM443389;MM443389;C=C(CCC)C1CC1C=O;MJWVIFBVGKVSNU-UHFFFAOYSA-N;138.21;2.18;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1_SNa";;;;;;;2.91;;0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM443390;MM443390;C#CC1=CNC(=NCC)C1;QMXVQHCEGSLFSZ-UHFFFAOYSA-N;134.18;0.92;;;;;DOPC;MDCG;27;1;"MARTINI bead: SNd_SP1";;;;;;;0.04;;-4.8;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM443391;MM443391;CN=c1nc(OC)on1N;HLJYPMMGFSHDBM-UHFFFAOYSA-N;144.13;-1.27;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNa_SP2";;;;;;;-0.24;;-3.24;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM443392;MM443392;COc1nnc(C#N)n1C;UOEKPBGNGYUVIB-UHFFFAOYSA-N;138.13;-0.3;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP1_SP1";;;;;;;-0.79;;-3.13;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM443393;MM443393;C=C(C)OCC(=NN)OC;JPUTUMMMRAHTII-UHFFFAOYSA-N;144.17;0.46;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda_Na";;;;;;;0.87;;-1.99;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM443394;MM443394;CCCC(=O)C1CC1C=O;CBVWMMAQCYZGSB-UHFFFAOYSA-N;140.18;1.19;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_SNa";;;;;;;0.87;;-2.22;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM443395;MM443395;C=C(C)N(N)C=NC=NN;NUALZEPHWCMFIO-UHFFFAOYSA-N;141.18;-0.37;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4_P3";;;;;;;0.23;;-1.03;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM443396;MM443396;C#CC1=CC=C(CC)C1C;BLCZAKKPDLJLRU-UHFFFAOYSA-N;132.21;2.53;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC3_SC5";;;;;;;3.34;;0.48;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM443397;MM443397;C=CC1NC1C(=C)CCC;WJHARMDVIFJKKO-UHFFFAOYSA-N;137.23;1.87;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1_SP1";;;;;;;2.08;;0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM443398;MM443398;C#CC1=COC(=CCC)C1;PVLFFNOWHJTBAU-UHFFFAOYSA-N;134.18;2.22;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC4_SN0";;;;;;;2.5;;0.44;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM443399;MM443399;CC=Cn1cc(N)c(F)n1;BFPFWXIBEQJYNA-UHFFFAOYSA-N;141.15;1.1;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNa_SP1";;;;;;;0.04;;-2.54;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM443400;MM443400;C#CC1=CC=C(CN)C1C;RMPXZTKEDHFRII-UHFFFAOYSA-N;133.19;1.08;;;;;DOPC;MDCG;27;1;"MARTINI bead: SNd_SC5";;;;;;;1.64;;-2.11;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM443401;MM443401;N=c1nnoc(N)c1C=O;DFSVUONHYCZYFG-UHFFFAOYSA-N;140.1;-1.06;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP3_SP2";;;;;;;-2.2;;-5.19;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM443402;MM443402;C#CC1=CCC(=NCC)N1;HASASCPYYHMPJM-UHFFFAOYSA-N;134.18;0.92;;;;;DOPC;MDCG;27;1;"MARTINI bead: SNd_SN0";;;;;;;1.17;;-3;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM443403;MM443403;COC(=N)NC(C=O)=CN;VRIFYFCTXATPAC-UHFFFAOYSA-N;143.15;-0.84;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_P2";;;;;;;-1.34;;-4.31;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM443404;MM443404;C#CC1=CC=C(CO)C1C;BOFYSKNLFFINEV-UHFFFAOYSA-N;134.18;1.11;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNda_SC5";;;;;;;1.64;;0.05;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM443405;MM443405;CCNC(=N)C1NC1C#N;GANNIUNITNIRTD-UHFFFAOYSA-N;138.17;-0.56;;;;;DOPC;MDCG;27;1;"MARTINI bead: P2_SP2";;;;;;;-1.34;;-7.42;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM443406;MM443406;C#CC1=NC(=CCN)CN1;HCHNNWGNANEYAQ-UHFFFAOYSA-N;135.17;-0.54;;;;;DOPC;MDCG;27;1;"MARTINI bead: SP2_SNd";;;;;;;-0.24;;-4.76;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM443407;MM443407;CC=C1C=C(C=O)CC1C;RFKDYVYJSCCFGW-UHFFFAOYSA-N;136.19;2.1;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC2_SNa";;;;;;;2.83;;0.35;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM443408;MM443408;C#CC1=CC=C(CF)C1C;FPXDZCFIVWOJSH-UHFFFAOYSA-N;136.17;2.09;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC5_SC5";;;;;;;2.41;;0.64;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM443409;MM443409;C=CC1OC1C(=C)CCN;PJVBJHMFOCIANG-UHFFFAOYSA-N;139.2;0.84;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_SNa";;;;;;;0.87;;-4.63;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM443410;MM443410;CC=C1C=C(C#N)CC1C;ULUCGDSXMRTSSQ-UHFFFAOYSA-N;133.19;2.42;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC2_SN0";;;;;;;3.13;;0.3;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM443411;MM443411;C=C(C)COC(CF)=NN;XYRJOPKEMXJZCK-UHFFFAOYSA-N;146.17;0.82;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4_P2";;;;;;;1.09;;-0.38;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM443412;MM443412;C#CC1=CC=C(CF)C1N;LMXMRPWJKDLOFR-UHFFFAOYSA-N;137.16;0.78;;;;;DOPC;MDCG;27;1;"MARTINI bead: SNda_SC5";;;;;;;1.64;;-1.29;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM443413;MM443413;C=C(CCN)C1CN1C=O;CPVDMYCOTJRBFP-UHFFFAOYSA-N;140.19;-0.27;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_SP2";;;;;;;-0.24;;-5.6;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM443414;MM443414;C=CC1=CC(=CC)C(N)C1;YCCCKXHYIOHXQQ-UHFFFAOYSA-N;135.21;1.78;;;;;DOPC;MDCG;27;1;"MARTINI bead: SNd_SC3";;;;;;;2.57;;-1.13;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM443415;MM443415;C#CC1=CCC(=CCC)O1;DGRXAJKPWUFYIC-UHFFFAOYSA-N;134.18;2.22;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC4_SNa";;;;;;;2.2;;0.34;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM443416;MM443416;C#CC1=CC=C(OC)C1C;FRWKZRSCIPPGHN-UHFFFAOYSA-N;134.18;1.73;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC5_SC5";;;;;;;2.41;;0.64;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM443417;MM443417;CCCC(=O)C1CN1C=N;NDJCXDMLKYEZBD-UHFFFAOYSA-N;140.19;0.65;;;;;DOPC;MDCG;27;1;"MARTINI bead: C5_SP2";;;;;;;0.54;;-2.75;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM443418;MM443418;C=CC1=CC(=CC)C(C)O1;SHJSEIAGVOGSGX-UHFFFAOYSA-N;136.19;2.42;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC4_SNa";;;;;;;2.2;;0.34;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM443419;MM443419;C#CC1=CCC(=CCN)O1;FCOPNPGPRZPKFN-UHFFFAOYSA-N;135.17;0.77;;;;;DOPC;MDCG;27;1;"MARTINI bead: SNd_SNa";;;;;;;0.87;;-4.05;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM443420;MM443420;C#CC1=NN=C(CC)C1C;IKYSQPXGFSJNQU-UHFFFAOYSA-N;134.18;1.48;;;;;DOPC;MDCG;27;0;"MARTINI bead: SN0_SN0";;;;;;;1.47;;-0.05;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM443421;MM443421;C#CC=NNC=NC;ZTSYGAYGAPKMNL-UHFFFAOYSA-N;109.13;-0.15;;;;;DOPC;MDCG;27;0;"MARTINI bead: N0_P1";;;;;;;0.34;;-1.53;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM443422;MM443422;CC=C1C=C(C=O)OC1C;BNUALXVHXOZFPD-UHFFFAOYSA-N;138.17;1.43;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC4_SNa";;;;;;;2.2;;0.34;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM443423;MM443423;C=C(F)COC(CF)=NN;KCQUHKRENWKXLV-UHFFFAOYSA-N;150.13;0.73;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_C5";;;;;;;0.54;;-1.09;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM443424;MM443424;C#CC1=NN=C(CO)C1C;ILUGZIKDBNUOIF-UHFFFAOYSA-N;136.15;0.06;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNda_SN0";;;;;;;1.17;;-1.13;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM443425;MM443425;CCNC(=N)C1CN1C=N;JWDCCUOCQLJGDB-UHFFFAOYSA-N;140.19;-0.14;;;;;DOPC;MDCG;27;1;"MARTINI bead: P2_SP2";;;;;;;-1.34;;-7.63;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM443426;MM443426;CC=C1C=C(C#N)OC1C;NNQAGTXZBQHOEO-UHFFFAOYSA-N;135.17;1.76;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC4_SNa";;;;;;;2.2;;0.34;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM443427;MM443427;C#Cc1coc(=NOC)o1;IUBVXCIYFWMKSQ-UHFFFAOYSA-N;139.11;0.32;;;;;DOPC;MDCG;27;0;"MARTINI bead: P3_SP1";;;;;;;-1.93;;-4.72;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM443428;MM443428;C#CC1=NN=C(CF)C1C;YXSQGWBSLJIDLY-UHFFFAOYSA-N;138.15;1.04;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNa_SN0";;;;;;;1.17;;-1.18;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM443429;MM443429;CCNC(=N)C1CN1C=O;VHCRGKBDIOOUDB-UHFFFAOYSA-N;141.17;-0.59;;;;;DOPC;MDCG;27;1;"MARTINI bead: P2_SP2";;;;;;;-1.34;;-7.59;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM443430;MM443430;CCC1(C#N)OC1C(=O)O;NAMXSKDXDNFLAP-UHFFFAOYSA-N;141.13;0.14;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNa_P1";;;;;;;0.04;;-7.92;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM443431;MM443431;C#Cc1noc(=NNC)o1;MPSZCDCGQNJEAN-UHFFFAOYSA-N;139.11;-0.72;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_SP2";;;;;;;-1.34;;-4.31;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM443432;MM443432;C#CC1=NN=C(OC)C1C;AXJICZOOYCYUAG-UHFFFAOYSA-N;136.15;0.67;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNa_SN0";;;;;;;1.17;;-1.18;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM443433;MM443433;C=NN1CC1C(=N)NCC;AYXUXDOXRVAEBR-UHFFFAOYSA-N;140.19;-0.13;;;;;DOPC;MDCG;27;1;"MARTINI bead: P2_SP2";;;;;;;-1.34;;-7.23;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM443434;MM443434;C#Cc1noc(=NOC)o1;KBDUBGKZEATANE-UHFFFAOYSA-N;140.1;-0.29;;;;;DOPC;MDCG;27;0;"MARTINI bead: P3_SP2";;;;;;;-2.2;;-5.19;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM443435;MM443435;CC(=NC=NN)N(N)C=O;MONMUSCYTQKWHB-UHFFFAOYSA-N;143.15;-1.36;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nd_P4";;;;;;;-1.19;;-4.91;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM443436;MM443436;C#Cc1ccc(CC)n1C;QCNZQGAEFJJQBD-UHFFFAOYSA-N;133.19;1.57;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC5_SN0";;;;;;;1.94;;0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM443437;MM443437;CCCC(=N)N1CC1C#N;BOGNFGAAMBVRLU-UHFFFAOYSA-N;137.19;0.97;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_SP2";;;;;;;-0.24;;-4.56;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM443438;MM443438;C#CC1=CCC(=CC=C)C1;CYKWYRLUJVSDPC-UHFFFAOYSA-N;130.19;2.45;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC4_SC5";;;;;;;2.97;;0.45;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM443439;MM443439;C=Cc1cc(=NO)n(C)o1;HYWHATWEIZHKCV-UHFFFAOYSA-N;140.14;0.55;;;;;DOPC;MDCG;27;0;"MARTINI bead: SN0_SP1";;;;;;;0.34;;-1.53;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM443440;MM443440;C#Cc1ccc(CO)n1C;IJWHNZUTTSBGKA-UHFFFAOYSA-N;135.17;0.5;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNda_SN0";;;;;;;1.17;;-1.13;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM443441;MM443441;CC1ON=CC1C#N;MYTWWCGDCZKWDH-UHFFFAOYSA-N;110.12;0.53;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNa_SP1";;;;;;;0.04;;-2.54;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM443442;MM443442;C=NN(C)C(C)=NC=NN;XLGFBBRVUQSMEY-UHFFFAOYSA-N;141.18;-0.15;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_Nd";;;;;;;-0.24;;-3.16;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM443443;MM443443;C#CC1=CCC(=CC=O)C1;CSBQBNJOJJPREK-UHFFFAOYSA-N;132.16;1.47;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNa_SC5";;;;;;;1.64;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM443444;MM443444;C#Cc1ccc(CF)n1C;VNXKTHNYBXEBKX-UHFFFAOYSA-N;137.16;1.48;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNa_SN0";;;;;;;1.17;;-1.18;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM443445;MM443445;CCCC(=O)N1CC1C#N;VQLQCSLUKOOISP-UHFFFAOYSA-N;138.17;0.52;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_SP2";;;;;;;-1.06;;-3.82;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM443446;MM443446;C#CC(C)C(C#N)ON=C;HOEACHJQDFVLDY-UHFFFAOYSA-N;136.15;0.78;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_P1";;;;;;;0.81;;-0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM443447;MM443447;C#CC1=CCC(=CC#N)C1;XXLOQXNQBFKUTF-UHFFFAOYSA-N;129.16;1.79;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC5_SN0";;;;;;;1.94;;0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM443448;MM443448;C#Cc1ccc(CC)n1N;ULSNUWFJFZMAGJ-UHFFFAOYSA-N;134.18;0.75;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC5_SNd";;;;;;;1.64;;0.02;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM443449;MM443449;CCNC(=N)N1CC1C#N;CUJUEEMVWCFZGM-UHFFFAOYSA-N;138.17;-0.26;;;;;DOPC;MDCG;27;1;"MARTINI bead: P2_SP2";;;;;;;-1.34;;-5.69;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM443450;MM443450;CN(N)C(CF)=NC=NN;DBMQXGULACTGPF-UHFFFAOYSA-N;147.16;-0.94;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_Na";;;;;;;-0.24;;-3.24;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM443451;MM443451;C#CC1=CCC(=NN=C)C1;AXMGJMIEIYXVAZ-UHFFFAOYSA-N;132.17;1.4;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC5_SC5";;;;;;;2.41;;0.64;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM443452;MM443452;C=NNC(=N)OCC#CC;UXLNQUUGOFFKAS-UHFFFAOYSA-N;139.16;0.17;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4_P2";;;;;;;1.09;;-0.38;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM443453;MM443453;C=CCC(=C)C1CC1C=C;QYXIJYLJBRMNEC-UHFFFAOYSA-N;134.22;2.94;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1_SC4";;;;;;;4.24;;0.42;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM443454;MM443454;C#CC1=CN=C(NC=N)C1;VWNFETHHPKXDNF-UHFFFAOYSA-N;133.15;0.5;;;;;DOPC;MDCG;27;1;"MARTINI bead: SP1_SN0";;;;;;;0.34;;-2.81;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM443455;MM443455;CNN=CC(C#N)=C(C)N;ATAUMVMROIYZPM-UHFFFAOYSA-N;138.17;-0.05;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_Nd";;;;;;;-0.24;;-3.16;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM443456;MM443456;C#Cc1ccc(CF)n1N;ZOQPYBULUNGWDU-UHFFFAOYSA-N;138.15;0.65;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNa_SNd";;;;;;;0.87;;-1.88;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM443457;MM443457;C=CCC(=C)C1CC1C=O;JDDQYJKWCYFWBU-UHFFFAOYSA-N;136.19;1.95;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1_SNa";;;;;;;2.91;;0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM443458;MM443458;COC(C=NN(C)C)=NN;RNBOCRBLSWWFOA-UHFFFAOYSA-N;144.18;-0.55;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda_P2";;;;;;;-0.24;;-3.31;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM443459;MM443459;C=Cc1cc(=NO)n(O)o1;MKNUJEPOEWJHCA-UHFFFAOYSA-N;142.11;0.25;;;;;DOPC;MDCG;27;0;"MARTINI bead: SN0_SP2";;;;;;;0.06;;-2.21;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM443460;MM443460;C#Cc1ccc(CC)n1O;ZYWFTPSRWQVZKZ-UHFFFAOYSA-N;135.17;1.27;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC5_SNda";;;;;;;1.64;;0.05;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM443461;MM443461;C=CCC(=C)C1CC1C#N;SBIWPTHJNARITH-UHFFFAOYSA-N;133.19;2.28;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1_SN0";;;;;;;3.21;;0.46;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM443462;MM443462;CN(C)N=CC(C#N)=CN;MTWHYBIHLSAMBJ-UHFFFAOYSA-N;138.17;-0.1;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_P1";;;;;;;-0.79;;-3.13;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM443463;MM443463;CN=c1nc(C=O)on1C;CNECGSHJJUFTJA-UHFFFAOYSA-N;141.13;-0.64;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP1_SP1";;;;;;;-0.79;;-3.13;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM443464;MM443464;C#Cc1ccc(CO)n1O;LXUQRQBUTRGYNT-UHFFFAOYSA-N;137.14;0.2;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP1_SN0";;;;;;;0.34;;-1.53;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM443465;MM443465;C=C(CC=O)C1CC1C#N;AZEATJBXXBZJSW-UHFFFAOYSA-N;135.17;1.29;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_SN0";;;;;;;1.17;;-1.18;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM443466;MM443466;C#CC1=NNC(=NN=C)C1;IXKWSYFISYFGLK-UHFFFAOYSA-N;134.14;-0.02;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNd_SP1";;;;;;;0.04;;-2.63;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM443467;MM443467;CN=c1nc(C#N)on1C;QLXKJZZBXQBOEC-UHFFFAOYSA-N;138.13;-0.58;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP1_SP1";;;;;;;-0.79;;-3.13;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM443468;MM443468;C#Cc1ccc(CF)n1O;XZGUGNPXYOOAJF-UHFFFAOYSA-N;139.13;1.18;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNda_SN0";;;;;;;1.17;;-1.13;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM443469;MM443469;C=C(CC#N)C1CC1C#N;OMRUUZCIKGPOSU-UHFFFAOYSA-N;132.17;1.62;;;;;DOPC;MDCG;27;0;"MARTINI bead: N0_SN0";;;;;;;1.47;;-0.05;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM443470;MM443470;C#CC1=COC(=CC=C)C1;HNJJKZPPFXEYRE-UHFFFAOYSA-N;132.16;1.99;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC5_SN0";;;;;;;1.94;;0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM443471;MM443471;CCN(C=O)C=NC=NN;NVDABCWYYYDUON-UHFFFAOYSA-N;142.16;-0.61;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_P1";;;;;;;-0.79;;-3.13;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM443472;MM443472;C#Cc1ccc(NC)n1C;IBYAMQQIHWUKQM-UHFFFAOYSA-N;134.18;1.05;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNd_SN0";;;;;;;1.17;;-1.04;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM443473;MM443473;C=CC1CC1C(=O)CC#N;BLVDMMXFVIQMHD-UHFFFAOYSA-N;135.17;1.29;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC4_Na";;;;;;;2.2;;0.34;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM443474;MM443474;O=c1c(O)n[nH]n1O;BXPCTKCHGIPMGW-UHFFFAOYSA-N;117.06;-1.49;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP2_SP3";;;;;;;-2.2;;-9.57;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM443475;MM443475;C=Cc1nc(=NO)n(C)o1;YSPSKKTZZBRAHX-UHFFFAOYSA-N;141.13;-0.05;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP1_SP2";;;;;;;-1.06;;-3.82;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM443476;MM443476;C#Cc1ccc(NC)n1N;ZCPVJQQFXLHBFW-UHFFFAOYSA-N;135.17;0.22;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNd_SNd";;;;;;;0.87;;-2.11;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM443477;MM443477;C=CCC(=O)C1CC1C#N;YXTRHNBWOBSRMC-UHFFFAOYSA-N;135.17;1.29;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_SN0";;;;;;;1.17;;-1.18;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM443478;MM443478;C#CC1=COC(=NN=C)C1;NRRJVWDNZBPNBF-UHFFFAOYSA-N;134.14;0.94;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNa_SN0";;;;;;;1.17;;-1.18;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM443479;MM443479;C=Cc1nc(=NC)n(N)o1;VTASNEPOKQGSFD-UHFFFAOYSA-N;140.15;-0.64;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP2_SP1";;;;;;;-1.06;;-3.82;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM443480;MM443480;C#Cc1ccc(NC)n1O;CMFPNRQKUPTQAM-UHFFFAOYSA-N;136.15;0.75;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNd_SNda";;;;;;;0.87;;-1.92;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM443481;MM443481;N#CCC(=O)C1CC1C#N;VWLMUWNZDHSGJS-UHFFFAOYSA-N;134.14;0.63;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_SN0";;;;;;;1.17;;-1.18;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM443482;MM443482;C#CC1=CCC(NC=N)=N1;HLGJPZIMNSRSEH-UHFFFAOYSA-N;133.15;0.5;;;;;DOPC;MDCG;27;1;"MARTINI bead: SP1_SN0";;;;;;;0.34;;-2.69;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM443483;MM443483;CNN(C=O)C=NC=NN;WMIPMQCEYVHWOF-UHFFFAOYSA-N;143.15;-1.49;;;;;DOPC;MDCG;27;0;"MARTINI bead: P4_P1";;;;;;;-2.01;;-5.13;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM443484;MM443484;C#Cc1ccc(OC)n1C;VXURJWGQNWYNGD-UHFFFAOYSA-N;135.17;1.02;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNa_SN0";;;;;;;1.17;;-1.18;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM443485;MM443485;C=CC1CC1C(=C)NC=N;OWDGDXAMPFXWCR-UHFFFAOYSA-N;136.2;1.52;;;;;DOPC;MDCG;27;1;"MARTINI bead: SC4_Nd";;;;;;;2.2;;-3.32;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM443486;MM443486;CCONC(=N)OC=NN;NGADOTWURNHMKY-UHFFFAOYSA-N;146.15;-0.62;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_P1";;;;;;;-0.79;;-3.13;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM443487;MM443487;C=Cc1nc(=NO)n(N)o1;LYXGLXSJQZTSAU-UHFFFAOYSA-N;142.12;-0.88;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP1_SP3";;;;;;;-1.93;;-4.72;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM443488;MM443488;C#Cc1ccc(OC)n1N;QPTSJOLYRPTKHH-UHFFFAOYSA-N;136.15;0.19;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNa_SNd";;;;;;;0.87;;-1.88;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM443489;MM443489;N#CC1CC1C(=N)NC=N;YZLIOXRHHAQPRS-UHFFFAOYSA-N;136.16;0.32;;;;;DOPC;MDCG;27;1;"MARTINI bead: P2_SN0";;;;;;;0.06;;-4.64;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM443490;MM443490;CCCOC(=O)OC=NN;FLRBCMUFYJAKRI-UHFFFAOYSA-N;146.15;0.45;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_P1";;;;;;;0.81;;-0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM443491;MM443491;CON(C=O)C=NC=NN;UQMLBFYGIUAWJY-UHFFFAOYSA-N;144.13;-1.06;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_P1";;;;;;;-1.06;;-3.82;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM443492;MM443492;C#Cc1ccc(OC)n1O;WSZSSVNSVLTZED-UHFFFAOYSA-N;137.14;0.72;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNa_SNda";;;;;;;0.87;;-1.99;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM443493;MM443493;CN(C=O)C(=O)C(=N)N;BNDLJPSHNODBJV-UHFFFAOYSA-N;129.12;-1.46;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_P3";;;;;;;-2.2;;-5.19;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM443494;MM443494;C=COCC(=O)OC=NN;YZLTWBUMBYFVCY-UHFFFAOYSA-N;144.13;-0.41;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_Na";;;;;;;0.04;;-2.54;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM443495;MM443495;C=NN(C=O)C=NC=NN;MBXHNESJTWTBKD-UHFFFAOYSA-N;141.13;-1.01;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_P2";;;;;;;-1.06;;-3.82;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM443496;MM443496;CCCC(=O)ON=CCF;QMFVFSHWZXPSJR-UHFFFAOYSA-N;147.15;1.29;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_P1";;;;;;;0.81;;-0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM443497;MM443497;C=CC1NC1C(=C)CC#N;WHBRUNMFZYYQLG-UHFFFAOYSA-N;134.18;0.98;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP1_N0";;;;;;;0.34;;-1.53;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM443498;MM443498;C#CC1=CCC(=CC=C)O1;XXHQPTWEISSQPS-UHFFFAOYSA-N;132.16;1.99;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC5_SNa";;;;;;;1.64;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM443499;MM443499;C=NNC(C)C(C#N)CC;QTMRNUSQMOTUPU-UHFFFAOYSA-N;139.2;1.13;;;;;DOPC;MDCG;27;0;"MARTINI bead: N0_Nd";;;;;;;1.17;;-1.04;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM443500;MM443500;C#Cc1ncc(CF)n1C;AIDPZSLJNVOIGD-UHFFFAOYSA-N;138.15;0.87;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNa_SNa";;;;;;;0.87;;-2.22;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM443501;MM443501;C=CCC(=C)C1NC1C#N;QAEJXHGRDVGEBG-UHFFFAOYSA-N;134.18;0.98;;;;;DOPC;MDCG;27;0;"MARTINI bead: C2_SP2";;;;;;;1.72;;0.27;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM443502;MM443502;NN=COC(=O)COC=O;VKSWHDIHFLPHGK-UHFFFAOYSA-N;146.1;-1.4;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_P1";;;;;;;-0.79;;-3.13;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM443503;MM443503;C=NN(C=N)C(=N)C=CN;JETAPTWEFYVOAV-UHFFFAOYSA-N;139.16;-0.04;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_P2";;;;;;;-1.06;;-3.82;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM443504;MM443504;C=COC(=C)N=CNN=C;KMFUBZCKTHNGAG-UHFFFAOYSA-N;139.16;0.85;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_P2";;;;;;;0.54;;-1.09;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM443505;MM443505;CCON=C(N)C(C)=O;IANGYKMCUQEZIO-UHFFFAOYSA-N;130.15;-0.12;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_P3";;;;;;;-0.33;;-2.01;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM443506;MM443506;C#Cc1coc(=NN=C)o1;KPBYRSZPFLFMST-UHFFFAOYSA-N;136.11;0.37;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_SP1";;;;;;;-1.06;;-3.82;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM443507;MM443507;C#CC1=CC(=CC)C(C)C1;SLFMOGWBFRXTPU-UHFFFAOYSA-N;132.21;2.53;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC2_SC5";;;;;;;3.6;;0.34;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM443508;MM443508;C#Cc1ncc(CF)n1N;WPBBTDXRAXFQTB-UHFFFAOYSA-N;139.13;0.05;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP1_SNa";;;;;;;0.04;;-2.54;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM443509;MM443509;C=C(CC#N)C1NC1C#N;FMUAPDKKLUIIRE-UHFFFAOYSA-N;133.15;0.32;;;;;DOPC;MDCG;27;0;"MARTINI bead: N0_SP2";;;;;;;0.06;;-2.21;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM443510;MM443510;C#Cc1noc(=NN=C)o1;YGVRJTUYEDHAIP-UHFFFAOYSA-N;137.1;-0.23;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_SP2";;;;;;;-1.34;;-4.31;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM443511;MM443511;NN=c1cc(F)n(N)cn1;FCQWMOJEIGKZIC-UHFFFAOYSA-N;143.13;-1.49;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNa_SP3";;;;;;;-1.1;;-4.2;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM443512;MM443512;C#Cc1ncc(CO)n1O;XRJYFAKIQHGJQB-UHFFFAOYSA-N;138.13;-0.41;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP2_SNa";;;;;;;-0.24;;-3.24;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM443513;MM443513;C=CNC(=O)C1NC1C#N;HXGCQRZPXLXLTL-UHFFFAOYSA-N;137.14;-0.89;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_SP2";;;;;;;-1.34;;-4.31;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM443514;MM443514;C#CC=C1CC=C(C#C)C1;KYQTUYVAACXBJF-UHFFFAOYSA-N;128.17;1.9;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC4_SC5";;;;;;;2.97;;0.45;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM443515;MM443515;CCCC(C)C(O)CCC;YLTHHPQUTLMNIF-UHFFFAOYSA-N;144.26;2.58;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1_Nda";;;;;;;2.91;;0.57;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM443516;MM443516;C#CC1=CC(=CC)C(C)O1;VNEYGZNEFGIAOY-UHFFFAOYSA-N;134.18;1.87;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC4_SNa";;;;;;;2.2;;0.34;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM443517;MM443517;C=C1C(=N)NC(=N)C1=O;ARMKVUYLINCFFY-UHFFFAOYSA-N;123.12;-0.33;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNd_SP2";;;;;;;-0.24;;-3.16;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM443518;MM443518;C#CC=C1CC(C#C)=CO1;OGSNKJFAPKBQDE-UHFFFAOYSA-N;130.15;1.44;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC5_SN0";;;;;;;1.94;;0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM443519;MM443519;C#Cc1ncc(OC)n1N;OXDWBFLGQASFGP-UHFFFAOYSA-N;137.14;-0.41;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNa_SNda";;;;;;;0.87;;-1.99;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM443520;MM443520;CC(C#N)OCC(=O)O;IONDZLKCAIDUQK-UHFFFAOYSA-N;129.12;;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda_P2";;;;;;;-0.24;;-8.31;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM443521;MM443521;C=COC(=C)C1NC1C#N;GSDSFNKHDDKECH-UHFFFAOYSA-N;136.15;0.52;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_SP2";;;;;;;0.54;;-1.09;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM443522;MM443522;C#CC=C1CC=C(C#C)O1;SSMBORCOBNISRH-UHFFFAOYSA-N;130.15;1.44;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC5_SNa";;;;;;;1.64;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM443523;MM443523;CN(N)C(=N)ON=CCF;FDDUDCXUMIGJCV-UHFFFAOYSA-N;148.14;-0.3;;;;;DOPC;MDCG;27;0;"MARTINI bead: P3_C5";;;;;;;-0.33;;-2.01;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM443524;MM443524;NN=c1o[nH]nc(N)c1=O;UQIGEEXDLWXXMB-UHFFFAOYSA-N;143.11;-2.28;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP2_SP2";;;;;;;-1.34;;-9.4;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM443525;MM443525;C=CCC(=C)C1OC1C#N;QISDNDHTQLNODC-UHFFFAOYSA-N;135.17;1.41;;;;;DOPC;MDCG;27;0;"MARTINI bead: C2_SP1";;;;;;;2;;0.29;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM443526;MM443526;CCCC1=CCC(CC)C1;NSRPHDHJTJWXMN-UHFFFAOYSA-N;138.25;3.53;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC1_SC2";;;;;;;4.87;;0.53;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM443527;MM443527;C#Cc1cnc(CC)n1N;COLQSJATNDGEJT-UHFFFAOYSA-N;135.17;0.14;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNa_SP1";;;;;;;0.04;;-2.54;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM443528;MM443528;N#Cc1cn[nH]c1O;JZSCNBGGJFQZPE-UHFFFAOYSA-N;109.09;-0.01;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNda_SNda";;;;;;;0.87;;-7.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM443529;MM443529;C=C(CC=O)C1OC1C#N;DJJXJSSXUNDMEP-UHFFFAOYSA-N;137.14;0.42;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_SP1";;;;;;;0.04;;-2.54;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM443530;MM443530;CCC1CC=C(CCN)C1;HXJQCCRFJJCMLZ-UHFFFAOYSA-N;139.24;2.08;;;;;DOPC;MDCG;27;1;"MARTINI bead: SC2_SNd";;;;;;;2.83;;-0.71;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM443531;MM443531;C#CCC=NNC(=N)OC;IHFKVNMQGNXUEA-UHFFFAOYSA-N;139.16;0.17;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_C5";;;;;;;0.54;;-1.09;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM443532;MM443532;O=C1C=CC2(CF)NC2C1;SEHWCPUFWACKAK-UHFFFAOYSA-N;141.15;0.2;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNda_SNa";;;;;;;0.87;;-1.99;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM443533;MM443533;C=C(CC#N)C1OC1C#N;VBAKHQNBAVYEDB-UHFFFAOYSA-N;134.14;0.75;;;;;DOPC;MDCG;27;0;"MARTINI bead: N0_SP1";;;;;;;0.34;;-1.53;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM443534;MM443534;CCCC1=CCC(CN)C1;FOMRWZVWLHNGBG-UHFFFAOYSA-N;139.24;2.08;;;;;DOPC;MDCG;27;1;"MARTINI bead: SC1_SNd";;;;;;;2.91;;-0.55;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM443535;MM443535;C#Cc1cnc(CF)n1N;ZEKCFKBCLMRTKG-UHFFFAOYSA-N;139.13;0.05;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNa_SP1";;;;;;;0.04;;-2.54;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM443536;MM443536;C#Cc1cc(=NO)n(C)o1;JGIIMJBERQKTRE-UHFFFAOYSA-N;138.13;-0.11;;;;;DOPC;MDCG;27;0;"MARTINI bead: SN0_SP1";;;;;;;0.34;;-1.53;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM443537;MM443537;C=C(NC=O)C1OC1C#N;WZQHGIASNBCUQX-UHFFFAOYSA-N;138.13;-0.46;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_SP1";;;;;;;-1.06;;-3.82;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM443538;MM443538;NCCC1=CCC(CN)C1;UYGHAYVLTVAQTJ-UHFFFAOYSA-N;140.23;0.63;;;;;DOPC;MDCG;27;1;"MARTINI bead: SNd_SNd";;;;;;;0.87;;-5.18;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM443539;MM443539;C#CC(=C)C(C#C)ON=C;HLFUOVVUJWXDAY-UHFFFAOYSA-N;133.15;0.81;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_N0";;;;;;;1.17;;-1.18;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM443540;MM443540;CCC=NNC=NOCC;YQELWPDVQDZCKT-UHFFFAOYSA-N;143.19;0.95;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_Nd";;;;;;;0.87;;-1.88;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM443541;MM443541;C=C(CC#N)C1CN1C=N;QTKVORGXIKCIMK-UHFFFAOYSA-N;135.17;0.75;;;;;DOPC;MDCG;27;1;"MARTINI bead: N0_SP2";;;;;;;0.06;;-4.82;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM443542;MM443542;C=NOCC(=O)OC=NN;FUFUTCRJCRIVAW-UHFFFAOYSA-N;145.12;-0.94;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_Na";;;;;;;0.04;;-2.54;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM443543;MM443543;C#Cc1cnc(CO)n1O;PMLFBSINNYZPNV-UHFFFAOYSA-N;138.13;-0.41;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP1_SP1";;;;;;;-0.79;;-3.13;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM443544;MM443544;C=CC1CN1C=NC=NN;YFBDWGITVOZAFM-UHFFFAOYSA-N;138.17;-0.21;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_SP1";;;;;;;-0.79;;-3.13;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM443545;MM443545;C=CCC(=C)C1CN1C=O;PIJRIADIIVAEOT-UHFFFAOYSA-N;137.18;0.96;;;;;DOPC;MDCG;27;0;"MARTINI bead: C2_SP2";;;;;;;1.72;;0.27;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM443546;MM443546;NCCC1=CCC(CO)C1;NOHQCYGXRLMJBA-UHFFFAOYSA-N;141.21;0.66;;;;;DOPC;MDCG;27;1;"MARTINI bead: SNd_SNda";;;;;;;0.87;;-4.68;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM443547;MM443547;Nc1c(F)n(N)cnc1=O;GBNQOVLPJNTQGI-UHFFFAOYSA-N;144.11;-1.32;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNda_SP3";;;;;;;-1.1;;-3.97;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM443548;MM443548;CC#CC#CC(F)C1CN1;ZJOUYQOWCWGPIE-UHFFFAOYSA-N;137.16;0.32;;;;;DOPC;MDCG;27;0;"MARTINI bead: C3_SP2";;;;;;;1.46;;-0.15;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM443549;MM443549;C=C(CC#N)C1CN1C=O;MWMMQNAOMOKAQG-UHFFFAOYSA-N;136.15;0.3;;;;;DOPC;MDCG;27;0;"MARTINI bead: N0_SP2";;;;;;;0.06;;-2.21;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM443550;MM443550;CCCC1=CCC(CF)C1;RZDFEJNSJISUBC-UHFFFAOYSA-N;142.22;3.09;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC1_SC5";;;;;;;3.68;;0.46;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM443551;MM443551;C#Cc1cnc(OC)n1C;JNKYGANNJHIPEE-UHFFFAOYSA-N;136.15;0.41;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNa_SP1";;;;;;;0.04;;-2.54;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM443552;MM443552;C#Cc1nc(=NC)n(N)o1;XWYATOLBRCUMMH-UHFFFAOYSA-N;138.13;-1.3;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP2_SP1";;;;;;;-1.06;;-3.82;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM443553;MM443553;C=CNC(=N)C1CN1C=N;SBJNUSSHZFPLRJ-UHFFFAOYSA-N;138.17;-0.01;;;;;DOPC;MDCG;27;1;"MARTINI bead: P2_SP2";;;;;;;-1.34;;-7.3;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM443554;MM443554;NCCC1=CCC(CF)C1;FHNREUWZTVNDRQ-UHFFFAOYSA-N;143.21;1.64;;;;;DOPC;MDCG;27;1;"MARTINI bead: SNd_SC5";;;;;;;1.64;;-2.66;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM443555;MM443555;C#Cc1cnc(OC)n1N;YCRHKCYKEWPRFW-UHFFFAOYSA-N;137.14;-0.41;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNa_SP1";;;;;;;0.04;;-2.54;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM443556;MM443556;CC(=O)CC1CN1C;KFJGXKICBAFVRB-UHFFFAOYSA-N;113.16;0.28;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP1_P1";;;;;;;-0.79;;-3.13;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM443557;MM443557;C=CNC(=O)C1CN1C=N;QXBCKQMONIVGQS-UHFFFAOYSA-N;139.16;-0.46;;;;;DOPC;MDCG;27;1;"MARTINI bead: P2_SP2";;;;;;;-1.34;;-5.57;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM443558;MM443558;CCC1CC=C(CNC)C1;XIOYJFYQHVDMTD-UHFFFAOYSA-N;139.24;1.95;;;;;DOPC;MDCG;27;1;"MARTINI bead: SC2_SNd";;;;;;;2.83;;-0.41;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM443559;MM443559;C#Cc1nnc(CC)n1C;PBEKMDLQCPDXJZ-UHFFFAOYSA-N;135.17;0.36;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNa_SP1";;;;;;;0.04;;-2.54;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM443560;MM443560;NN=CC#CCCF;PDNUUJUNDKHSEV-UHFFFAOYSA-N;114.12;0.29;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_C5";;;;;;;0.81;;-0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM443561;MM443561;C=CCC(=C)C1CN1N=C;XRYHHTYVXJLSPT-UHFFFAOYSA-N;136.2;1.42;;;;;DOPC;MDCG;27;0;"MARTINI bead: C2_SP2";;;;;;;1.72;;0.27;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM443562;MM443562;CNCC1=CCC(CN)C1;ZRBZWVLJTKVDIQ-UHFFFAOYSA-N;140.23;0.5;;;;;DOPC;MDCG;27;1;"MARTINI bead: SNd_SNd";;;;;;;0.87;;-5.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM443563;MM443563;NN1CCC(=CF)CC1=O;SNAAUPBMFLXZEV-UHFFFAOYSA-N;144.15;0.34;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP1_SNa";;;;;;;0.04;;-2.54;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM443564;MM443564;C=NNCC(C)(C)C#N;MDBGOXMHPYBUIH-UHFFFAOYSA-N;125.18;0.74;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_P1";;;;;;;0.81;;-0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM443565;MM443565;C=CC(=C)CC(C)(O)CC;AOERGTMSBJXMPT-UHFFFAOYSA-N;140.23;2.28;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda_C3";;;;;;;2.57;;0.44;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM443566;MM443566;CCCC1=CCC(NC)C1;DFKJMJLMWYSUQL-UHFFFAOYSA-N;139.24;2.09;;;;;DOPC;MDCG;27;1;"MARTINI bead: SC1_SNd";;;;;;;2.91;;-0.72;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM443567;MM443567;C#Cc1nnc(CC)n1N;GFZPYISAKQJAEI-UHFFFAOYSA-N;136.16;-0.46;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNa_SP2";;;;;;;-0.24;;-3.24;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM443568;MM443568;C=C1CC(CN)=CC1=CC;BKKLCNUEULUYBE-UHFFFAOYSA-N;135.21;1.78;;;;;DOPC;MDCG;27;1;"MARTINI bead: SC2_SNd";;;;;;;2.83;;-0.22;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM443569;MM443569;C=CCC(C=C)C(C)(C)O;GMXKIPOEMOEMAJ-UHFFFAOYSA-N;140.23;2.14;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda_C1";;;;;;;2.91;;0.57;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM443570;MM443570;CNC1CC=C(CCN)C1;QNEFFTGXNSKAFL-UHFFFAOYSA-N;140.23;0.64;;;;;DOPC;MDCG;27;1;"MARTINI bead: SNd_SNd";;;;;;;0.87;;-5.3;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM443571;MM443571;CCC(C)CC1NC1C=O;BPOBKNWUDSDUMJ-UHFFFAOYSA-N;141.21;0.96;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1_SP2";;;;;;;1.8;;0.41;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM443572;MM443572;C=C1CC(CO)=CC1=CC;ZKIQFONNYIUUJM-UHFFFAOYSA-N;136.19;1.81;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC2_SNda";;;;;;;2.83;;0.57;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM443573;MM443573;CCC(=O)CC1(C)CN1C;PDQKMJSJGZAFJK-UHFFFAOYSA-N;141.21;1.06;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_SNd";;;;;;;0.87;;-1.88;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM443574;MM443574;CCCC1=CCC(OC)C1;WPNAKQVOPIBEGP-UHFFFAOYSA-N;140.23;2.52;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC1_SC5";;;;;;;3.68;;0.46;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM443575;MM443575;C#Cc1nnc(NC)n1C;HBRAWYXZPYHAHT-UHFFFAOYSA-N;136.16;-0.16;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP1_SP1";;;;;;;-0.79;;-3.13;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM443576;MM443576;C=c1oc(CC)cc1=CC;COGBDVJQRAFJAC-UHFFFAOYSA-N;136.19;1.05;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC4_SC4";;;;;;;3.53;;0.53;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM443577;MM443577;C=CCC(=N)N1CC1C#N;OIXSBHGCADVBBL-UHFFFAOYSA-N;135.17;0.75;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1_SP2";;;;;;;-1.06;;-4.83;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM443578;MM443578;COC1CC=C(CCN)C1;NOEMNOUJACKQQE-UHFFFAOYSA-N;141.21;1.07;;;;;DOPC;MDCG;27;1;"MARTINI bead: SC5_SNd";;;;;;;1.64;;-2.66;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM443579;MM443579;N#CC#CCON=CCF;MIKRLDMKOLASIS-UHFFFAOYSA-N;140.12;0.49;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_N0";;;;;;;0.34;;-1.53;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM443580;MM443580;C=c1oc(CN)cc1=CC;BMAOVSFQROQKFP-UHFFFAOYSA-N;137.18;-0.05;;;;;DOPC;MDCG;27;1;"MARTINI bead: SC4_SP1";;;;;;;1.37;;-1.37;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM443581;MM443581;C=CC(=O)CC(C)ON=C;CYSXKYIBPVZEMD-UHFFFAOYSA-N;141.17;1.15;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_Na";;;;;;;0.87;;-2.22;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM443582;MM443582;CCOC1=CCC(CC)C1;UQVGEEYEBPRFFD-UHFFFAOYSA-N;140.23;2.73;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC4_SC2";;;;;;;4.16;;0.44;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM443583;MM443583;C=c1oc(CO)cc1=CC;FFSJZZOFAKPVTO-UHFFFAOYSA-N;138.17;-0.02;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC4_SNda";;;;;;;2.2;;0.49;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM443584;MM443584;C#Cc1nnc(OC)n1C;SECXNWUQGXLRQN-UHFFFAOYSA-N;137.14;-0.2;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP1_SP1";;;;;;;-0.79;;-3.13;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM443585;MM443585;C=CC1CN1C(=O)CC#N;OFEFVVTWYOOHMA-UHFFFAOYSA-N;136.15;0.3;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP1_P3";;;;;;;-1.93;;-4.72;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM443586;MM443586;CCOC1=CCC(CO)C1;OTKJDOAFIHMFSB-UHFFFAOYSA-N;142.2;1.31;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC4_SNda";;;;;;;2.2;;0.49;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM443587;MM443587;C=c1oc(CF)cc1=CC;QVTVDRIWCABOLY-UHFFFAOYSA-N;140.16;0.96;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC5_SC4";;;;;;;2.97;;0.45;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM443588;MM443588;C#Cc1nnc(OC)n1N;BTNHICJWAUSLTD-UHFFFAOYSA-N;138.13;-1.02;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP1_SP2";;;;;;;-1.06;;-3.82;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM443589;MM443589;C=CCC(=O)N1CC1C#N;YKVWDVYFGUIYMB-UHFFFAOYSA-N;136.15;0.3;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_SP2";;;;;;;-1.06;;-3.82;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM443590;MM443590;CCOC1=CCC(CF)C1;OOUNMKFUZAWSAF-UHFFFAOYSA-N;144.19;2.29;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC4_SC5";;;;;;;2.97;;0.45;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM443591;MM443591;C=c1oc(CC)cc1=CF;IDYGQKNGTAPMMJ-UHFFFAOYSA-N;140.16;0.96;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC4_SNa";;;;;;;2.2;;0.34;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM443592;MM443592;C=CC1=CC=C(C=C)C1C;CBTJCFWZSIQPKW-UHFFFAOYSA-N;132.21;2.86;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC3_SC4";;;;;;;3.9;;0.47;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM443593;MM443593;C=CC1CN1C(=N)NC=N;AYBWDLUTHILQQA-UHFFFAOYSA-N;138.17;-0.01;;;;;DOPC;MDCG;27;1;"MARTINI bead: SP1_P4";;;;;;;-2.01;;-8.24;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM443594;MM443594;CCOC1=CCC(OC)C1;GUZNDEBUFZNAHE-UHFFFAOYSA-N;142.2;1.72;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC4_SC5";;;;;;;2.97;;0.45;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM443595;MM443595;C=CC1=CC=C(C#N)C1C;YWTDCFILIBCRNI-UHFFFAOYSA-N;131.18;2.2;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC4_SN0";;;;;;;2.5;;0.44;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM443596;MM443596;C=c1oc(CN)cc1=CF;LZJSOOHPANQICW-UHFFFAOYSA-N;141.15;-0.14;;;;;DOPC;MDCG;27;1;"MARTINI bead: SP1_SNa";;;;;;;0.04;;-3.95;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM443597;MM443597;C=CC1CN1C(=N)NN=C;RGTWZUXPEMLMSF-UHFFFAOYSA-N;138.17;;;;;;DOPC;MDCG;27;1;"MARTINI bead: SP1_P2";;;;;;;-1.06;;-5.76;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM443598;MM443598;CCCC1=COC(CC)C1;SKTPDOUPHGJXCT-UHFFFAOYSA-N;140.23;2.87;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC4_SC5";;;;;;;2.97;;0.45;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM443599;MM443599;CC1C(C#N)=CC=C1C=O;XKHHBHZKTJFEEQ-UHFFFAOYSA-N;133.15;1.21;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNa_SN0";;;;;;;1.17;;-1.18;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM443600;MM443600;C=c1oc(CO)cc1=CF;FVBBYGRSKOMASR-UHFFFAOYSA-N;142.13;-0.11;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNda_SNa";;;;;;;0.87;;-1.99;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM443601;MM443601;C#CCC(=C)C1CC1C=C;RXLCKSHCSDJPBJ-UHFFFAOYSA-N;132.21;2.39;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC4_C4";;;;;;;3.53;;0.53;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM443602;MM443602;CCC1CC(CCN)=CO1;CDISDXDETQNZFY-UHFFFAOYSA-N;141.21;1.42;;;;;DOPC;MDCG;27;1;"MARTINI bead: SC5_SP1";;;;;;;0.81;;-3.23;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM443603;MM443603;CC1C(C#N)=CC=C1C#N;IOXQJMABHMZVAY-UHFFFAOYSA-N;130.15;1.54;;;;;DOPC;MDCG;27;0;"MARTINI bead: SN0_SN0";;;;;;;1.47;;-0.05;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM443604;MM443604;C=c1oc(CF)cc1=CF;FWHFNDXOFUVWJC-UHFFFAOYSA-N;144.12;0.87;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC5_SNa";;;;;;;1.64;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM443605;MM443605;C#CCC(=C)C1CC1C#N;XYGZAWRTIIGWMT-UHFFFAOYSA-N;131.18;1.73;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4_SN0";;;;;;;2.5;;0.44;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM443606;MM443606;CCCC1=COC(CN)C1;ZWDPZKKZHLDGEL-UHFFFAOYSA-N;141.21;1.42;;;;;DOPC;MDCG;27;1;"MARTINI bead: SC4_SP1";;;;;;;1.37;;-2;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM443607;MM443607;C=CC1=CC=C(C=C)C1N;CIGDDDLJTACSCS-UHFFFAOYSA-N;133.19;1.55;;;;;DOPC;MDCG;27;1;"MARTINI bead: SNd_SC4";;;;;;;2.2;;-1.29;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM443608;MM443608;C=Cc1cc(=CC)c(=C)o1;CGKBFLWODNEKPQ-UHFFFAOYSA-N;134.18;1.13;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC4_SC5";;;;;;;2.97;;0.45;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM443609;MM443609;C#CCC(=O)C1CC1C=C;CLUAGPDNNZGBCU-UHFFFAOYSA-N;134.18;1.4;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC4_Na";;;;;;;2.2;;0.34;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM443610;MM443610;CCCC1=COC(CO)C1;ARJOJFZJSUYUOL-UHFFFAOYSA-N;142.2;1.45;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC4_SNda";;;;;;;2.2;;0.49;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM443611;MM443611;C=CC1=NN=C(C=C)C1C;MRXPTSXKFGUQMO-UHFFFAOYSA-N;134.18;1.81;;;;;DOPC;MDCG;27;0;"MARTINI bead: SN0_SC5";;;;;;;1.94;;0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM443612;MM443612;C=c1oc(C=O)cc1=CC;MLYNENOXUCMEDB-UHFFFAOYSA-N;136.15;0.3;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC4_SNa";;;;;;;2.2;;0.34;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM443613;MM443613;C#CCC(=O)C1CC1C#N;HKCDBKDWGNVHRI-UHFFFAOYSA-N;133.15;0.74;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_SN0";;;;;;;1.17;;-1.18;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM443614;MM443614;CCCC1=COC(CF)C1;BBHWWZWURSVGSW-UHFFFAOYSA-N;144.19;2.43;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC4_SNa";;;;;;;2.2;;0.34;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM443615;MM443615;C=CC1=NN=C(C#N)C1C;NQFYGOZAANVTPG-UHFFFAOYSA-N;133.15;1.14;;;;;DOPC;MDCG;27;0;"MARTINI bead: SN0_SN0";;;;;;;1.47;;-0.05;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM443616;MM443616;C=c1oc(C#N)cc1=CC;QOVNFNWUJBFTEE-UHFFFAOYSA-N;133.15;0.36;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC4_SN0";;;;;;;2.5;;0.44;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM443617;MM443617;C=NNC(C)=NC(C)CC;OYJSQPGOVVEEKI-UHFFFAOYSA-N;141.22;1.41;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1_P1";;;;;;;2.08;;0.51;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM443618;MM443618;CCCC1=COC(OC)C1;LRBATPMLWLNRJV-UHFFFAOYSA-N;142.2;2.06;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC4_SNa";;;;;;;2.2;;0.34;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM443619;MM443619;CC1C(C#N)=NN=C1C=O;SBMZJJXMJKZILL-UHFFFAOYSA-N;135.13;0.16;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNa_SN0";;;;;;;1.17;;-1.18;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM443620;MM443620;C=Cc1cc(=CF)c(=C)o1;QZGBURCRGPRDLM-UHFFFAOYSA-N;138.14;1.04;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNa_SC5";;;;;;;1.64;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM443621;MM443621;CC(=O)CCCNCC#N;BXQDGFLAEYIWRM-UHFFFAOYSA-N;140.19;0.47;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_P2";;;;;;;-0.24;;-3.24;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM443622;MM443622;CCCC1=NNC(CC)C1;CSJUMVHYVJKKAV-UHFFFAOYSA-N;140.23;1.91;;;;;DOPC;MDCG;27;0;"MARTINI bead: SN0_SNd";;;;;;;1.17;;-1.04;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM443623;MM443623;CC1C(C#N)=NN=C1C#N;YLUVYCRXIBDCLY-UHFFFAOYSA-N;132.13;0.48;;;;;DOPC;MDCG;27;0;"MARTINI bead: SN0_SN0";;;;;;;1.47;;-0.05;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM443624;MM443624;C=c1oc(C=O)cc1=CF;ZLAJSVGKCUVFOI-UHFFFAOYSA-N;140.11;0.21;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNa_SNa";;;;;;;0.87;;-2.22;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM443625;MM443625;C#CCC(=C)C1OC1C=O;VFNPKKHSHBMHGE-UHFFFAOYSA-N;136.15;0.53;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_SP2";;;;;;;0.54;;-1.09;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM443626;MM443626;CCC1CC(CCN)=NN1;SESQOJPTRAEOJT-UHFFFAOYSA-N;141.22;0.46;;;;;DOPC;MDCG;27;1;"MARTINI bead: SNd_SP1";;;;;;;0.04;;-5.04;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM443627;MM443627;C=Cc1ccc(C=C)n1C;MHJIXZMMLMUAIW-UHFFFAOYSA-N;133.19;2.31;;;;;DOPC;MDCG;27;0;"MARTINI bead: SN0_SC5";;;;;;;1.94;;0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM443628;MM443628;C=c1oc(C#N)cc1=CF;INYAYWCLWPMEKZ-UHFFFAOYSA-N;137.11;0.27;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNa_SN0";;;;;;;1.17;;-1.18;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM443629;MM443629;C#CCC(=C)C1OC1C#N;LWJHZWVDOBNBTM-UHFFFAOYSA-N;133.15;0.86;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_SP1";;;;;;;0.81;;-0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM443630;MM443630;CCCC1=NNC(CN)C1;BVAKUHRUSPLUHU-UHFFFAOYSA-N;141.22;0.46;;;;;DOPC;MDCG;27;1;"MARTINI bead: SN0_SP1";;;;;;;0.34;;-3.16;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM443631;MM443631;C=Cc1ccc(C=O)n1C;HLKPSJNSSSSDNI-UHFFFAOYSA-N;135.17;1.48;;;;;DOPC;MDCG;27;0;"MARTINI bead: SN0_SNa";;;;;;;1.17;;-1.18;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM443632;MM443632;C#CC1=CC(=CC)C(=C)C1;CRISCAOMOVNFTM-UHFFFAOYSA-N;130.19;2.45;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC2_SC5";;;;;;;3.6;;0.34;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM443633;MM443633;C#CCC(=O)C1OC1C#N;ZYMNXKZAQQDRDI-UHFFFAOYSA-N;135.12;-0.13;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_SP1";;;;;;;0.04;;-2.54;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM443634;MM443634;N=C(NC=CF)OC=NN;VEORPGJSWZGZQL-UHFFFAOYSA-N;146.13;-0.13;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_Nda";;;;;;;-0.24;;-3.31;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM443635;MM443635;C=Cc1ccc(C#N)n1C;SZEYBJMHPGYTOO-UHFFFAOYSA-N;132.17;1.54;;;;;DOPC;MDCG;27;0;"MARTINI bead: SN0_SN0";;;;;;;1.47;;-0.05;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM443636;MM443636;C#Cc1cc(=CC)c(=C)o1;VFGPBQIZFWOSFE-UHFFFAOYSA-N;132.16;0.47;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC4_SN0";;;;;;;2.5;;0.44;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM443637;MM443637;C#CCC(=C)C1CN1C=N;XTTQITHGONYNFT-UHFFFAOYSA-N;134.18;0.86;;;;;DOPC;MDCG;27;1;"MARTINI bead: C5_SP2";;;;;;;0.54;;-3.69;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM443638;MM443638;CCCC1=NNC(CF)C1;MVTRAMINEUBIFM-UHFFFAOYSA-N;144.19;1.47;;;;;DOPC;MDCG;27;0;"MARTINI bead: SN0_SNda";;;;;;;1.17;;-1.13;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM443639;MM443639;Cn1c(C=O)ccc1C=O;HMGXRGDTHQEUAO-UHFFFAOYSA-N;137.14;0.65;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNa_SNa";;;;;;;0.87;;-2.22;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM443640;MM443640;C#Cc1cc(=CF)c(=C)o1;KZRLPWYFRVJYKD-UHFFFAOYSA-N;136.13;0.38;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNa_SN0";;;;;;;1.17;;-1.18;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM443641;MM443641;C#CCC(=C)C1CN1C=O;OXOBKBXKZNVYEQ-UHFFFAOYSA-N;135.17;0.41;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_SP2";;;;;;;0.54;;-1.09;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM443642;MM443642;CCCC1=NOC(CC)C1;QTJOYDAMUGGIRG-UHFFFAOYSA-N;141.21;2.34;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC5_SC5";;;;;;;2.41;;0.64;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM443643;MM443643;Cn1c(C#N)ccc1C=O;OWIWSQGGONTSKG-UHFFFAOYSA-N;134.14;0.71;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNa_SN0";;;;;;;1.17;;-1.18;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM443644;MM443644;CC=C1C=C(CN)C=C1C;QBSQFSXVMJGMCI-UHFFFAOYSA-N;135.21;1.78;;;;;DOPC;MDCG;27;1;"MARTINI bead: SC2_SNd";;;;;;;2.83;;-0.2;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM443645;MM443645;C#CCC(=N)N1CC1C=C;ANPLKOKQFGERHX-UHFFFAOYSA-N;134.18;0.86;;;;;DOPC;MDCG;27;1;"MARTINI bead: SP1_P1";;;;;;;-0.79;;-4.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM443646;MM443646;CCCC1=NOC(CN)C1;FNHIQJVIIMATFJ-UHFFFAOYSA-N;142.2;0.89;;;;;DOPC;MDCG;27;1;"MARTINI bead: SC5_SP1";;;;;;;0.81;;-1.98;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM443647;MM443647;Cn1c(C#N)ccc1C#N;MAGUPVNZMSWOEI-UHFFFAOYSA-N;131.14;0.77;;;;;DOPC;MDCG;27;0;"MARTINI bead: SN0_SN0";;;;;;;1.47;;-0.05;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM443648;MM443648;CC=C1C=C(CO)C=C1C;VTWGJRVLZNYXJC-UHFFFAOYSA-N;136.19;1.81;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC2_SNda";;;;;;;2.83;;0.57;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM443649;MM443649;C#CCC(=O)N1CC1C=C;MMUPWHLZOWBQFA-UHFFFAOYSA-N;135.17;0.41;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP1_P2";;;;;;;-1.06;;-3.82;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM443650;MM443650;CC=COC(=O)OC=NN;AIKRVJZYFVGGCY-UHFFFAOYSA-N;144.13;0.58;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_P1";;;;;;;0.81;;-0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM443651;MM443651;C=Cc1ccc(C=C)n1N;PKXZOKRXDQTMPJ-UHFFFAOYSA-N;134.18;1.49;;;;;DOPC;MDCG;27;0;"MARTINI bead: SN0_SNd";;;;;;;1.17;;-1.04;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM443652;MM443652;CCC1=CC(CC)CC1C;YENWSSUZQLJBSQ-UHFFFAOYSA-N;138.25;3.39;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC2_SC1";;;;;;;4.87;;0.53;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM443653;MM443653;C#CCC(=O)N1CC1C#N;NCAJRCBXVWHQKJ-UHFFFAOYSA-N;134.14;-0.26;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_SP2";;;;;;;-1.34;;-4.31;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM443654;MM443654;CCCC1=NOC(CF)C1;RQSJOXVRWLNFLD-UHFFFAOYSA-N;145.18;1.9;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC5_SNa";;;;;;;1.64;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM443655;MM443655;C=Cc1ccc(C=C)n1O;CSLDNRMMROOSKW-UHFFFAOYSA-N;135.17;2.01;;;;;DOPC;MDCG;27;0;"MARTINI bead: SN0_SNda";;;;;;;1.17;;-1.13;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM443656;MM443656;CCC1=CC(CN)CC1C;DGEMFEBLPZLTFY-UHFFFAOYSA-N;139.24;1.94;;;;;DOPC;MDCG;27;1;"MARTINI bead: SC1_SNd";;;;;;;2.91;;-0.53;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM443657;MM443657;C#CC1CC1C(=C)CNC;JIKDBKAHMIEIPS-UHFFFAOYSA-N;135.21;1.03;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_SC5";;;;;;;1.64;;-2.33;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM443658;MM443658;CCCC1=NC(CC)CN1;BQWZUEXJJLUISU-UHFFFAOYSA-N;140.23;1.57;;;;;DOPC;MDCG;27;1;"MARTINI bead: SC5_SN0";;;;;;;1.94;;-1.81;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM443659;MM443659;C=Cc1ccc(C=O)n1O;VRHDXSDEMSSJOZ-UHFFFAOYSA-N;137.14;1.18;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNda_SNa";;;;;;;0.87;;-1.99;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM443660;MM443660;CCC1C=C(CN)C(C)C1;MFRGTJCJKTVPHS-UHFFFAOYSA-N;139.24;1.94;;;;;DOPC;MDCG;27;1;"MARTINI bead: SC2_SC4";;;;;;;4.16;;0.67;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM443661;MM443661;C#CC1OC1C(=N)NCC;SBRULASMANZGAP-UHFFFAOYSA-N;138.17;-0.03;;;;;DOPC;MDCG;27;1;"MARTINI bead: P2_SNa";;;;;;;-0.24;;-6.14;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM443662;MM443662;CCCC1=NC(CN)CN1;ZFYFSXZTIPKIJS-UHFFFAOYSA-N;141.22;0.12;;;;;DOPC;MDCG;27;1;"MARTINI bead: SC5_SP3";;;;;;;-0.33;;-4.68;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM443663;MM443663;N#Cc1ccc(C=O)n1O;GXCJFYAASSSEFM-UHFFFAOYSA-N;136.11;0.41;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP1_SN0";;;;;;;0.34;;-1.53;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM443664;MM443664;CC1CC(CN)C=C1CN;FTCINGSDOIBGEJ-UHFFFAOYSA-N;140.23;0.49;;;;;DOPC;MDCG;27;1;"MARTINI bead: SNd_SC4";;;;;;;2.2;;-2.3;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM443665;MM443665;C#CC1CN1C(=N)CCC;XAACXOJHTTZYLV-UHFFFAOYSA-N;136.2;1.08;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_SP3";;;;;;;-1.1;;-6.01;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM443666;MM443666;CCCC1=NC(CF)CN1;OZAMUDZFGLLSCL-UHFFFAOYSA-N;144.19;1.13;;;;;DOPC;MDCG;27;1;"MARTINI bead: SC5_SP2";;;;;;;0.54;;-3.39;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM443667;MM443667;N#Cc1ccc(C#N)n1O;DLIINODTJRXVLP-UHFFFAOYSA-N;133.11;0.47;;;;;DOPC;MDCG;27;0;"MARTINI bead: SN0_SNda";;;;;;;1.17;;-1.13;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM443668;MM443668;C=CC1(CC(C)=O)CN1;JNIBJNYVTCEMJC-UHFFFAOYSA-N;125.17;0.49;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_SP1";;;;;;;-0.79;;-3.13;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM443669;MM443669;C#CC1CN1C(=O)CCC;XCAXOBQDBLSIRS-UHFFFAOYSA-N;137.18;0.63;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_SP3";;;;;;;-1.93;;-4.72;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM443670;MM443670;CCCC1=CCC(CN)O1;SQIDFHHLSVWVAC-UHFFFAOYSA-N;141.21;1.42;;;;;DOPC;MDCG;27;1;"MARTINI bead: SC4_SP1";;;;;;;1.37;;-2;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM443671;MM443671;C=Cc1cnc(C=C)n1C;IUBOHIODMCHYJM-UHFFFAOYSA-N;134.18;1.71;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP1_SNa";;;;;;;0.04;;-2.54;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM443672;MM443672;CC1CC(CN)C=C1CO;MKYKXLXXGAFHOW-UHFFFAOYSA-N;141.21;0.52;;;;;DOPC;MDCG;27;1;"MARTINI bead: SNd_SC5";;;;;;;1.64;;-2.67;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM443673;MM443673;C#CC1CN1C(=N)OCC;SDYMAUSDAMWQHO-UHFFFAOYSA-N;138.17;0.28;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda_SP3";;;;;;;-1.1;;-3.97;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM443674;MM443674;CCCC1=CCC(CO)O1;RXYODOJGZKZRJD-UHFFFAOYSA-N;142.2;1.45;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC4_SNda";;;;;;;2.2;;0.49;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM443675;MM443675;C=Cc1cnc(C#N)n1C;QRPYYNUFSZOALZ-UHFFFAOYSA-N;133.15;0.93;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP1_SNa";;;;;;;0.04;;-2.54;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM443676;MM443676;CCC1=CC(NC)CC1C;MXRPCDOXHOSOTH-UHFFFAOYSA-N;139.24;1.95;;;;;DOPC;MDCG;27;1;"MARTINI bead: SC1_SNd";;;;;;;2.91;;-0.22;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM443677;MM443677;C#CC1CN1C(=O)OCC;QCOQVIPIYRLBBC-UHFFFAOYSA-N;139.15;0.46;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_SP3";;;;;;;-1.1;;-4.2;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM443678;MM443678;CCCC1=COC(CC)O1;XZRISXUPNBQTBC-UHFFFAOYSA-N;142.2;2.41;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNa_SNa";;;;;;;0.87;;-2.22;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM443679;MM443679;C=Cc1ncc(C=O)n1C;JBTWITOQBOJYOH-UHFFFAOYSA-N;136.15;0.88;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP1_SNa";;;;;;;0.04;;-2.54;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM443680;MM443680;CNC1C=C(CN)C(C)C1;YHXWDORXRGDOGQ-UHFFFAOYSA-N;140.23;0.5;;;;;DOPC;MDCG;27;1;"MARTINI bead: SNd_SC4";;;;;;;2.2;;-2.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM443681;MM443681;C#CC1CC1C(=C)CC=C;AEPSJXQSWKRUTD-UHFFFAOYSA-N;132.21;2.39;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1_SC5";;;;;;;3.68;;0.46;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM443682;MM443682;CCCC1=COC(CN)O1;HNRAPTYXFZHIBM-UHFFFAOYSA-N;143.19;0.96;;;;;DOPC;MDCG;27;1;"MARTINI bead: SNa_SP2";;;;;;;-0.24;;-4.53;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM443683;MM443683;Cn1c(C=O)cnc1C=O;ZWUCSSAFRYMFSM-UHFFFAOYSA-N;138.13;0.05;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP1_SP1";;;;;;;-0.79;;-3.13;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM443684;MM443684;CCC1=CC(CC)NC1C;IYAYSHFBJMBHFO-UHFFFAOYSA-N;139.24;2.09;;;;;DOPC;MDCG;27;1;"MARTINI bead: SNd_SN0";;;;;;;1.17;;-4.67;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM443685;MM443685;C#CC1CC1C(=O)CC#N;DTPZIYYFFZTQIA-UHFFFAOYSA-N;133.15;0.74;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_SC5";;;;;;;1.64;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM443686;MM443686;CCCC1=COC(CO)O1;XZUNVTVDKAQXHJ-UHFFFAOYSA-N;144.17;0.99;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNa_SP1";;;;;;;0.04;;-2.54;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM443687;MM443687;Cn1c(C=O)cnc1C#N;MJSCHMRRKXGSPD-UHFFFAOYSA-N;135.13;0.1;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP1_SNa";;;;;;;0.04;;-2.54;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM443688;MM443688;CCC1=CC(CN)NC1C;FVRJIMGEKIUUDA-UHFFFAOYSA-N;140.23;0.64;;;;;DOPC;MDCG;27;1;"MARTINI bead: SN0_SP2";;;;;;;0.06;;-5.27;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM443689;MM443689;C#CC1CC1C(=O)OC=C;LGSWFIYMBSFIMZ-UHFFFAOYSA-N;136.15;0.94;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_SC5";;;;;;;1.64;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM443690;MM443690;CCCC1=COC(CF)O1;ADQJEXUXRQMWTQ-UHFFFAOYSA-N;146.16;1.97;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNa_SNa";;;;;;;0.87;;-2.22;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM443691;MM443691;C=Cc1cnc(C=C)n1N;XCTDQPOJSCIYRA-UHFFFAOYSA-N;135.17;0.88;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP1_SNa";;;;;;;0.04;;-2.54;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM443692;MM443692;CC1NC(CN)C=C1CN;ZPCCNRSNZYAGJF-UHFFFAOYSA-N;141.22;-0.81;;;;;DOPC;MDCG;27;1;"MARTINI bead: SP2_SP1";;;;;;;-1.06;;-6.36;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM443693;MM443693;C#CC1NC1C(=C)CC=C;LCWCUBYXMDLMOC-UHFFFAOYSA-N;133.19;1.09;;;;;DOPC;MDCG;27;0;"MARTINI bead: C2_SP3";;;;;;;0.86;;-0.3;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM443694;MM443694;CCCC1=CCN(CC)C1;MPGZXCKLGGGUQI-UHFFFAOYSA-N;139.24;2.05;;;;;DOPC;MDCG;27;1;"MARTINI bead: SN0_SNd";;;;;;;1.17;;-3.13;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM443695;MM443695;COC1C=CN(C=O)N=C1;ZGXSZXGUJYWPES-UHFFFAOYSA-N;140.14;-0.03;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP1_SP1";;;;;;;-0.79;;-3.13;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM443696;MM443696;CCC1=CC(CC)OC1C;JBSDTIQNZJWGJT-UHFFFAOYSA-N;140.23;2.52;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNa_SC5";;;;;;;1.64;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM443697;MM443697;C#CC1NC1C(=C)CC#N;NOLUCOGVPPNEJY-UHFFFAOYSA-N;132.17;0.43;;;;;DOPC;MDCG;27;0;"MARTINI bead: N0_SP3";;;;;;;-0.8;;-2.99;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM443698;MM443698;CCN1CC=C(CCN)C1;NJXHOZJICMCNKS-UHFFFAOYSA-N;140.23;0.6;;;;;DOPC;MDCG;27;1;"MARTINI bead: SNd_SP2";;;;;;;-0.24;;-5.97;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM443699;MM443699;C=Cc1cnc(C=O)n1O;JOCROXWJZYUKBO-UHFFFAOYSA-N;138.13;0.58;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP1_SP1";;;;;;;-0.79;;-3.13;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM443700;MM443700;CCC1=NN(CC)CC1C;BJZNHQNYKJLTFU-UHFFFAOYSA-N;140.23;1.72;;;;;DOPC;MDCG;27;0;"MARTINI bead: SN0_SN0";;;;;;;1.47;;-0.05;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM443701;MM443701;C#CCC(=N)NN=CCC;NDMSIQTXMJDIJH-UHFFFAOYSA-N;137.19;0.97;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nd_Nd";;;;;;;0.87;;-2.11;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM443702;MM443702;C=CCC1=CCC(CC)C1;AWVZWXKAMBAGRD-UHFFFAOYSA-N;136.24;3.31;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC2_SC3";;;;;;;4.53;;0.32;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM443703;MM443703;C=Cc1cnc(C#N)n1O;GAVWFQQTYFKBHE-UHFFFAOYSA-N;135.13;0.64;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP1_SNa";;;;;;;0.04;;-2.54;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM443704;MM443704;C=CC1C=C(CC)C(C)C1;KVBKETYRMMSUOJ-UHFFFAOYSA-N;136.24;3.16;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC1_SC4";;;;;;;4.24;;0.42;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM443705;MM443705;C=NNC(=N)C(C)=COC;IJTUARZTLNFAEJ-UHFFFAOYSA-N;141.17;0.72;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_P2";;;;;;;0.54;;-1.09;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM443706;MM443706;CCC1CC=C(CC=O)C1;YAILOXSQIJQGNG-UHFFFAOYSA-N;138.21;2.32;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC2_SN0";;;;;;;3.13;;0.3;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM443707;MM443707;C=Cc1ncc(C=O)n1O;RXAVSURKJNMYMA-UHFFFAOYSA-N;138.13;0.58;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP2_SNa";;;;;;;-0.24;;-3.24;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM443708;MM443708;CCC1=CC(C=O)CC1C;CWTVWNRDACCGHE-UHFFFAOYSA-N;138.21;2.18;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC1_SNa";;;;;;;2.91;;0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM443709;MM443709;C#CC1CN1C(=O)CC#N;RZOWQEPWVNSNKM-UHFFFAOYSA-N;134.14;-0.26;;;;;DOPC;MDCG;27;0;"MARTINI bead: P3_SP3";;;;;;;-3.07;;-6.15;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM443710;MM443710;CCC1CC=C(CC#N)C1;IYTKKLWNNCPBLP-UHFFFAOYSA-N;135.21;2.65;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC2_SC5";;;;;;;3.6;;0.34;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM443711;MM443711;C=Cc1ncc(C#N)n1O;WSGXWHPJHAANQI-UHFFFAOYSA-N;135.13;0.64;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNa_SP1";;;;;;;0.04;;-2.54;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM443712;MM443712;CCC1=CC(C#N)CC1C;RPOASXCQYYKMGM-UHFFFAOYSA-N;135.21;2.5;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC1_SN0";;;;;;;3.21;;0.46;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM443713;MM443713;C#CC1CN1C(=O)ON=C;ZMZWEZFTLQSNAM-UHFFFAOYSA-N;138.13;0.06;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_SP3";;;;;;;-1.93;;-4.72;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM443714;MM443714;C=CCC1=CCC(CN)C1;NABAIBKDTKBACX-UHFFFAOYSA-N;137.23;1.86;;;;;DOPC;MDCG;27;1;"MARTINI bead: SNd_SC3";;;;;;;2.57;;-1.51;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM443715;MM443715;C=Cc1nnc(C=C)n1C;HBNVUMPYGGFVQQ-UHFFFAOYSA-N;135.17;1.1;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP1_SNa";;;;;;;0.04;;-2.54;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM443716;MM443716;C=CC1C=C(CN)C(C)C1;HHFHYHWMQFTKJA-UHFFFAOYSA-N;137.23;1.71;;;;;DOPC;MDCG;27;1;"MARTINI bead: SC4_SC4";;;;;;;3.53;;0.68;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM443717;MM443717;C#CCC(=O)C1CC1C#C;UQTMZIISRIRKGW-UHFFFAOYSA-N;132.16;0.85;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_SC5";;;;;;;1.64;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM443718;MM443718;C=NN=CC(=O)OC=NN;XEATZPWWIOVEOR-UHFFFAOYSA-N;142.12;-0.88;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_N0";;;;;;;0.34;;-1.53;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM443719;MM443719;C=Cc1nnc(C=O)n1C;RMFIAJPKMRPEQZ-UHFFFAOYSA-N;137.14;0.27;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNa_SP1";;;;;;;0.04;;-2.54;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM443720;MM443720;C#CC1(CC(C)=O)CN1;MOHBNKWPJNPGGH-UHFFFAOYSA-N;123.16;-0.06;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_SP3";;;;;;;-1.93;;-4.72;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM443721;MM443721;C#CCC(=C)C1NC1C#C;PXKSTYJDNQPJPT-UHFFFAOYSA-N;131.18;0.54;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_SP3";;;;;;;-0.33;;-2.01;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM443722;MM443722;C#CC=CC(=O)OC=NN;BBSVHCCPOPEKMQ-UHFFFAOYSA-N;138.13;-0.38;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_N0";;;;;;;0.34;;-1.53;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM443723;MM443723;C=Cc1nnc(C#N)n1C;IPPTUJAALHRIBY-UHFFFAOYSA-N;134.14;0.33;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNa_SP1";;;;;;;0.04;;-2.54;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM443724;MM443724;CC1CC(C#N)C=C1CO;MBGFTTCYCDZUED-UHFFFAOYSA-N;137.18;1.08;;;;;DOPC;MDCG;27;0;"MARTINI bead: SN0_SC5";;;;;;;1.94;;0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM443725;MM443725;Nc1cc(=O)n(N)oc1=O;XYGYMVSOJNNMHY-UHFFFAOYSA-N;143.1;-1.9;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP2_SP2";;;;;;;-1.34;;-4.31;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM443726;MM443726;C=C(C#CCC)OC=NN;JUXHYNKRGMMLKD-UHFFFAOYSA-N;138.17;0.83;;;;;DOPC;MDCG;27;0;"MARTINI bead: C2_P3";;;;;;;0.86;;-0.3;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM443727;MM443727;Cn1c(C=O)nnc1C=O;YAAXVAYBMRIRSX-UHFFFAOYSA-N;139.11;-0.56;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP1_SP2";;;;;;;-1.06;;-3.82;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM443728;MM443728;CCC1=CN(C=N)CC1C;AWVFJYGGXCFNLN-UHFFFAOYSA-N;138.21;1.84;;;;;DOPC;MDCG;27;1;"MARTINI bead: SN0_SP1";;;;;;;0.34;;-4.96;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM443729;MM443729;C#CCC(=C)C1OC1C#C;SKWJXRZKASDPTL-UHFFFAOYSA-N;132.16;0.97;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_SNa";;;;;;;1.64;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM443730;MM443730;C=CCC1=CCC(CF)C1;FWVDBZKNRRYSRH-UHFFFAOYSA-N;140.2;2.87;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC5_SC3";;;;;;;3.34;;0.48;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM443731;MM443731;Cn1c(C#N)nnc1C=O;DLWSKQXNSHMAGY-UHFFFAOYSA-N;136.11;-0.5;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP2_SP1";;;;;;;-1.06;;-3.82;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM443732;MM443732;CCC1=CN(C=O)CC1C;DVIYFXKRNMEWNJ-UHFFFAOYSA-N;139.2;1.39;;;;;DOPC;MDCG;27;0;"MARTINI bead: SN0_SP1";;;;;;;0.34;;-1.53;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM443733;MM443733;C#CCC(=O)C1OC1C#C;UJAFDBSYHBDSHA-UHFFFAOYSA-N;134.13;-0.02;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_SNa";;;;;;;0.87;;-2.22;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM443734;MM443734;N#CCC1=CCC(CF)C1;DZZSKXZCBDZMLH-UHFFFAOYSA-N;139.17;2.21;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC5_SC5";;;;;;;2.41;;0.64;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM443735;MM443735;Cn1c(C#N)nnc1C#N;DQTXWGDZYRKETA-UHFFFAOYSA-N;133.11;-0.44;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP1_SP1";;;;;;;-0.79;;-3.13;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM443736;MM443736;CC1CN(C=N)C=C1CN;YPJHRCKRBKZZJH-UHFFFAOYSA-N;139.2;0.39;;;;;DOPC;MDCG;27;1;"MARTINI bead: SP1_SP1";;;;;;;-0.79;;-6.44;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM443737;MM443737;C#CCC(=O)N1CC1C#C;GVVSNYIUXQXHDA-UHFFFAOYSA-N;133.15;-0.15;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_SP3";;;;;;;-2.2;;-5.19;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM443738;MM443738;C=CCC1=CCC(NC)C1;AGDXYPZNAMTTEL-UHFFFAOYSA-N;137.23;1.87;;;;;DOPC;MDCG;27;1;"MARTINI bead: SNd_SC3";;;;;;;2.57;;-1.69;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM443739;MM443739;C=Cc1nnc(C=C)n1N;SDWXUCCVXIBKER-UHFFFAOYSA-N;136.16;0.28;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP1_SNa";;;;;;;0.04;;-2.54;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM443740;MM443740;CC1CN(C=O)C=C1CN;ZBQRHQQUJYLBAI-UHFFFAOYSA-N;140.19;-0.06;;;;;DOPC;MDCG;27;1;"MARTINI bead: SP1_SP1";;;;;;;-0.79;;-4.93;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM443741;MM443741;CC=CC(C)C1CC1CC;YCWOOYCOLBPPOS-UHFFFAOYSA-N;138.25;3.24;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC3_C1";;;;;;;4.61;;0.31;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM443742;MM443742;CNC1CC=C(CC=O)C1;KQXKKWBLXIMTTO-UHFFFAOYSA-N;139.2;0.88;;;;;DOPC;MDCG;27;1;"MARTINI bead: SNd_SN0";;;;;;;1.17;;-3.92;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM443743;MM443743;C#CC1=NC(=CO)N=N1;ULAYJPFLMUXKIT-UHFFFAOYSA-N;121.1;0.84;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNda_SN0";;;;;;;1.17;;-6.92;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM443744;MM443744;CCC1=CN(C=N)CC1N;CCFFPTMVULZHQU-UHFFFAOYSA-N;139.2;0.53;;;;;DOPC;MDCG;27;1;"MARTINI bead: SP1_SP1";;;;;;;-0.79;;-6.14;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM443745;MM443745;CC=CC(N)C1CC1CC;JQXZFXIZDWMKFI-UHFFFAOYSA-N;139.24;1.94;;;;;DOPC;MDCG;27;1;"MARTINI bead: SC3_Nd";;;;;;;2.57;;-1.22;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM443746;MM443746;CNC1CC=C(CC#N)C1;RJVUAWGQDSFFHB-UHFFFAOYSA-N;136.2;1.21;;;;;DOPC;MDCG;27;1;"MARTINI bead: SNd_SC5";;;;;;;1.64;;-2.87;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM443747;MM443747;C#CC1=CC=C(C=C)C1C;CEMVKFJWDYNGQR-UHFFFAOYSA-N;130.19;2.31;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC4_SC5";;;;;;;2.97;;0.45;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM443748;MM443748;CCC1=CN(C=O)CC1N;PAEAFSLKVGAALE-UHFFFAOYSA-N;140.19;0.08;;;;;DOPC;MDCG;27;1;"MARTINI bead: SP1_SP1";;;;;;;-0.79;;-4.56;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM443749;MM443749;CC=CC(N)C1CC1CN;GMMNUGNMKMATQE-UHFFFAOYSA-N;140.23;0.48;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_SNd";;;;;;;0.87;;-5.09;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM443750;MM443750;C=CCC1=CCC(OC)C1;URCXOVOMLGUELX-UHFFFAOYSA-N;138.21;2.3;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC5_SC3";;;;;;;3.34;;0.48;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM443751;MM443751;C#CC1=CC=C(C=O)C1C;RHEJHMJLXPBGGF-UHFFFAOYSA-N;132.16;1.32;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNa_SC5";;;;;;;1.64;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM443752;MM443752;CCC1=CN(C=N)NC1C;GKOOBTCZOHZDRY-UHFFFAOYSA-N;139.2;1.1;;;;;DOPC;MDCG;27;1;"MARTINI bead: SP1_SP3";;;;;;;-1.93;;-6.95;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM443753;MM443753;CC=CC(N)C1CC1NC;YFZJTQXZSTXTFH-UHFFFAOYSA-N;140.23;0.5;;;;;DOPC;MDCG;27;1;"MARTINI bead: SNd_Nd";;;;;;;0.87;;-4.75;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM443754;MM443754;COC1CC=C(CC#N)C1;YANDNEDQPWWFAS-UHFFFAOYSA-N;137.18;1.64;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC5_SC5";;;;;;;2.41;;0.64;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM443755;MM443755;C#CC1=CC=C(C#N)C1C;DLFLTTXSYKNTCX-UHFFFAOYSA-N;129.16;1.65;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC5_SN0";;;;;;;1.94;;0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM443756;MM443756;CCC1=CN(C=O)NC1C;ZGRUVKUZWDAQCO-UHFFFAOYSA-N;140.19;0.65;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP1_SP2";;;;;;;-1.06;;-3.82;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM443757;MM443757;CC=CC(O)C1CC1NC;CALKQXXQHQAGCC-UHFFFAOYSA-N;141.21;0.53;;;;;DOPC;MDCG;27;1;"MARTINI bead: SNd_Nda";;;;;;;0.87;;-4.21;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM443758;MM443758;CCC1CC=C(NC=N)C1;JVUZDVNDDOLCAS-UHFFFAOYSA-N;138.21;1.89;;;;;DOPC;MDCG;27;1;"MARTINI bead: SC2_SNd";;;;;;;2.83;;-1.73;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM443759;MM443759;C#CC1=NN=C(C=C)C1C;AXSFYOPBQYHUJU-UHFFFAOYSA-N;132.17;1.25;;;;;DOPC;MDCG;27;0;"MARTINI bead: SN0_SN0";;;;;;;1.47;;-0.05;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM443760;MM443760;CCC1=NN(C=N)CC1C;BSQFPIJVMJZZAJ-UHFFFAOYSA-N;139.2;1.31;;;;;DOPC;MDCG;27;0;"MARTINI bead: SN0_SP2";;;;;;;0.06;;-2.21;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM443761;MM443761;CC=CC(C)C1CC1OC;URQAHFJDSIXSJY-UHFFFAOYSA-N;140.23;2.23;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNa_C1";;;;;;;2.91;;0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM443762;MM443762;N=CNC1=CCC(CN)C1;WFRBDYBKZGWRCO-UHFFFAOYSA-N;139.2;0.44;;;;;DOPC;MDCG;27;1;"MARTINI bead: SNd_SNd";;;;;;;0.87;;-5.94;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM443763;MM443763;C#CC1=NN=C(C=O)C1C;MBUYQESARJNQQQ-UHFFFAOYSA-N;134.14;0.27;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNa_SN0";;;;;;;1.17;;-1.18;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM443764;MM443764;CCC1=NN(C=O)CC1C;JMGSNYQCMWHNJL-UHFFFAOYSA-N;140.19;0.86;;;;;DOPC;MDCG;27;0;"MARTINI bead: SN0_SP2";;;;;;;0.06;;-2.21;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM443765;MM443765;CC=CC(N)C1CC1OC;ULPYGOWJECIZCI-UHFFFAOYSA-N;141.21;0.92;;;;;DOPC;MDCG;27;1;"MARTINI bead: SNa_Nd";;;;;;;0.87;;-4.32;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM443766;MM443766;N=CNC1=CCC(CO)C1;PCKJLIOVVVJUIS-UHFFFAOYSA-N;140.19;0.47;;;;;DOPC;MDCG;27;1;"MARTINI bead: SNda_SNd";;;;;;;0.87;;-5.72;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM443767;MM443767;CC1CN(C=O)N=C1CN;VQOLJSKVBANJJW-UHFFFAOYSA-N;141.17;-0.59;;;;;DOPC;MDCG;27;1;"MARTINI bead: SP2_SP1";;;;;;;-1.06;;-4.87;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM443768;MM443768;C#CC1=NN=C(C#N)C1C;YFXAJEGTHGROEI-UHFFFAOYSA-N;131.14;0.59;;;;;DOPC;MDCG;27;0;"MARTINI bead: SN0_SN0";;;;;;;1.47;;-0.05;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM443769;MM443769;CC=CC(C)C1NC1CN;NSZGNZKXPQVADQ-UHFFFAOYSA-N;140.23;0.5;;;;;DOPC;MDCG;27;1;"MARTINI bead: C1_SP2";;;;;;;1.8;;-0.85;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM443770;MM443770;N=CNC1=CCC(CF)C1;HGXQCOUZORMOLG-UHFFFAOYSA-N;142.18;1.45;;;;;DOPC;MDCG;27;1;"MARTINI bead: SC5_SNd";;;;;;;1.64;;-3.71;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM443771;MM443771;C#CC1C=C(CC)C(C)C1;DTGMCDFDZJOWGS-UHFFFAOYSA-N;134.22;2.61;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC1_SC5";;;;;;;3.68;;0.46;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM443772;MM443772;C#Cc1ccc(C=O)n1C;TXZVRBGVQFHCNW-UHFFFAOYSA-N;133.15;0.82;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNa_SN0";;;;;;;1.17;;-1.18;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM443773;MM443773;CC=CC(N)C1NC1CF;IOPMUAMKUDDYBS-UHFFFAOYSA-N;144.19;0.2;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_SP1";;;;;;;0.04;;-4.28;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM443774;MM443774;O=CNC1=CCC(CF)C1;DOTCLKGRGSUZRA-UHFFFAOYSA-N;143.16;1;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC5_SNda";;;;;;;1.64;;0.05;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM443775;MM443775;C#CC1C=C(CN)C(C)C1;HOUDHIKLMZNGON-UHFFFAOYSA-N;135.21;1.16;;;;;DOPC;MDCG;27;1;"MARTINI bead: SC5_SC4";;;;;;;2.97;;0.37;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM443776;MM443776;C#Cc1ccc(C#N)n1C;NJEIQAYJIQYRSV-UHFFFAOYSA-N;130.15;0.88;;;;;DOPC;MDCG;27;0;"MARTINI bead: SN0_SN0";;;;;;;1.47;;-0.05;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM443777;MM443777;CC=CC(F)C1NC1CC;DNVDUHBWBCGBCP-UHFFFAOYSA-N;143.21;1.65;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNd_C4";;;;;;;2.2;;0.34;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM443778;MM443778;COC1CC=C(NC=N)C1;YZNKYAAJTZJVSY-UHFFFAOYSA-N;140.19;0.88;;;;;DOPC;MDCG;27;1;"MARTINI bead: SC5_SNd";;;;;;;1.64;;-3.65;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM443779;MM443779;C=Cn1cc(N)c(F)n1;SRVGNODVXWHJIF-UHFFFAOYSA-N;127.12;0.7;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNa_SP1";;;;;;;0.04;;-2.54;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM443780;MM443780;C#Cc1ccc(C=C)n1N;QCPSVBSZYVDEMD-UHFFFAOYSA-N;132.17;0.83;;;;;DOPC;MDCG;27;0;"MARTINI bead: SN0_SNd";;;;;;;1.17;;-1.04;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM443781;MM443781;CC=CC(C)C1OC1CC;PBIUSUVKEVSABR-UHFFFAOYSA-N;140.23;2.38;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNa_C1";;;;;;;2.91;;0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM443782;MM443782;C=COC1=CCC(CC)C1;JTNGORRRCPLFQH-UHFFFAOYSA-N;138.21;2.85;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC2_SC4";;;;;;;4.16;;0.44;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM443783;MM443783;C#CC1C=C(CN)C(C)N1;FSDXZLZVTLWGJS-UHFFFAOYSA-N;136.2;-0.14;;;;;DOPC;MDCG;27;1;"MARTINI bead: SP1_SP1";;;;;;;-0.79;;-5.34;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM443784;MM443784;C#Cc1ccc(C#N)n1O;VPRIDKVDQRNCJU-UHFFFAOYSA-N;132.12;0.58;;;;;DOPC;MDCG;27;0;"MARTINI bead: SN0_SNda";;;;;;;1.17;;-1.13;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM443785;MM443785;CC=CC(C)C1OC1CO;HQJNZFZGRCXBCA-UHFFFAOYSA-N;142.2;0.96;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1_SP2";;;;;;;1.8;;0.4;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM443786;MM443786;C=COC1=CCC(CN)C1;ORSBNTTVWVJNRH-UHFFFAOYSA-N;139.2;1.4;;;;;DOPC;MDCG;27;1;"MARTINI bead: SNd_SC4";;;;;;;2.2;;-2.21;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM443787;MM443787;C=CC1=CC(CC)CC1C;UECQEVLMGUYACS-UHFFFAOYSA-N;136.24;3.16;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC2_SC2";;;;;;;4.78;;0.59;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM443788;MM443788;C#Cc1ncc(C=C)n1C;RKARMWSBRNFCKJ-UHFFFAOYSA-N;132.17;1.04;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP1_SNa";;;;;;;0.04;;-2.54;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM443789;MM443789;CC=CC(N)C1OC1CC;AZGQLOZGOMWNOY-UHFFFAOYSA-N;141.21;1.07;;;;;DOPC;MDCG;27;1;"MARTINI bead: SNa_Nd";;;;;;;0.87;;-3.59;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM443790;MM443790;C=COC1=CCC(CO)C1;JQQZRPQOHCLTPO-UHFFFAOYSA-N;140.18;1.43;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNda_SC4";;;;;;;2.2;;0.49;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM443791;MM443791;C=CC1=CC(CN)CC1C;KFFRTPVVJXSZMK-UHFFFAOYSA-N;137.23;1.71;;;;;DOPC;MDCG;27;1;"MARTINI bead: SNd_SC2";;;;;;;2.83;;-0.72;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM443792;MM443792;C#Cc1ncc(C=O)n1C;NARVNUKLDBVACF-UHFFFAOYSA-N;134.14;0.21;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP1_SNa";;;;;;;0.04;;-2.54;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM443793;MM443793;CC=CC(O)C1OC1CC;PNHLKTKCMUFBEX-UHFFFAOYSA-N;142.2;1.1;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNa_Nda";;;;;;;0.87;;-1.99;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM443794;MM443794;C=COC1=CCC(NC)C1;KGVUBTPUBYQSCB-UHFFFAOYSA-N;139.2;1.41;;;;;DOPC;MDCG;27;1;"MARTINI bead: SNd_SC4";;;;;;;2.2;;-2.16;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM443795;MM443795;C=NN=C1CC(=C)CN1;JLSBOPTWIKFOGK-UHFFFAOYSA-N;123.16;0.55;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNd_SP1";;;;;;;0.04;;-2.63;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM443796;MM443796;C#Cc1ncc(C=C)n1N;XFKUEKQVNNBRPL-UHFFFAOYSA-N;133.15;0.22;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP1_SNda";;;;;;;0.04;;-2.73;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM443797;MM443797;CC=CC(N)C1CN1CC;YSTOARUUHHOQLS-UHFFFAOYSA-N;140.23;0.59;;;;;DOPC;MDCG;27;1;"MARTINI bead: SNd_Nd";;;;;;;0.87;;-3.77;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM443798;MM443798;C=COC1=CCC(OC)C1;QIRGRYIDIPHDKH-UHFFFAOYSA-N;140.18;1.84;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC5_SC4";;;;;;;2.97;;0.45;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM443799;MM443799;CCC1C=C(C#N)C(C)C1;KFJLFYGAARJUQT-UHFFFAOYSA-N;135.21;2.5;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC2_SC5";;;;;;;3.6;;0.34;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM443800;MM443800;C#Cc1ncc(C=C)n1O;ISANMJQNRVBADM-UHFFFAOYSA-N;134.14;0.74;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP1_SNa";;;;;;;0.04;;-2.54;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM443801;MM443801;CC=CC(F)C1CN1CC;BYXHSWQFBUNFAR-UHFFFAOYSA-N;143.21;1.6;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNd_C4";;;;;;;2.2;;0.32;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM443802;MM443802;C=CCC1=COC(CC)C1;MCOMPVYGPFMPCC-UHFFFAOYSA-N;138.21;2.65;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC5_SC5";;;;;;;2.41;;0.64;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM443803;MM443803;C=CNC1=NC(=N)C=N1;PMGSHNYPIGTPKN-UHFFFAOYSA-N;122.13;0.14;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNd_SP1";;;;;;;0.04;;-2.63;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM443804;MM443804;C#Cc1cnc(C=C)n1N;ZVQSESFXPQPDQS-UHFFFAOYSA-N;133.15;0.22;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNa_SP1";;;;;;;0.04;;-2.54;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM443805;MM443805;C=C(CN1CC1C)C(C)=O;WLNQQOHMLRJSOZ-UHFFFAOYSA-N;139.2;0.84;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNd_Na";;;;;;;0.87;;-1.88;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM443806;MM443806;CCC1CC(CC#N)=CO1;CFLWPYWUIBIJNS-UHFFFAOYSA-N;137.18;1.98;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC5_SN0";;;;;;;1.94;;0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM443807;MM443807;CC1CC(CF)C=C1C=O;JKHPUNYPQCJSDH-UHFFFAOYSA-N;142.17;1.74;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC5_SC5";;;;;;;2.41;;0.64;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM443808;MM443808;C#Cc1cnc(C=O)n1O;UURKRUIFNZBAIV-UHFFFAOYSA-N;136.11;-0.09;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP1_SP1";;;;;;;-0.79;;-3.13;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM443809;MM443809;C=CC1CC1C(N)C=CC;XTGQYKYYOSSMOV-UHFFFAOYSA-N;137.23;1.71;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_SC4";;;;;;;2.2;;-1.92;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM443810;MM443810;C=CCC1=COC(CN)C1;SBAWORWMYTVNQM-UHFFFAOYSA-N;139.2;1.19;;;;;DOPC;MDCG;27;1;"MARTINI bead: SP1_SC5";;;;;;;0.81;;-2.54;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM443811;MM443811;C=CC1=CC(CC)CC1N;MDDIQONVJALGPM-UHFFFAOYSA-N;137.23;1.86;;;;;DOPC;MDCG;27;1;"MARTINI bead: SC2_SNd";;;;;;;2.83;;-0.42;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM443812;MM443812;C#Cc1nnc(C=O)n1C;XMWZHBYXUWEBLL-UHFFFAOYSA-N;135.13;-0.39;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP2_SP1";;;;;;;-1.06;;-3.82;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM443813;MM443813;CC=CC(C)C1OC1C#N;SIJHFYKAXGPQNF-UHFFFAOYSA-N;137.18;1.49;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1_SP1";;;;;;;2.08;;0.48;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM443814;MM443814;C=CCC1=COC(CO)C1;SIYHHNGGMKUDAF-UHFFFAOYSA-N;140.18;1.23;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNda_SC5";;;;;;;1.64;;0.05;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM443815;MM443815;C=CC1=CC(NC)CC1C;LAYOLUUJJMMSRN-UHFFFAOYSA-N;137.23;1.73;;;;;DOPC;MDCG;27;1;"MARTINI bead: SNd_SC2";;;;;;;2.83;;-0.42;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM443816;MM443816;C#Cc1nnc(C#N)n1C;YUAJDOWKBPUHEC-UHFFFAOYSA-N;132.13;-0.33;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP1_SP1";;;;;;;-0.79;;-3.13;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM443817;MM443817;CC=CC(C)C1CN1C=O;RQZIIEVLWYNEPL-UHFFFAOYSA-N;139.2;1.04;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1_SP2";;;;;;;1.8;;0.4;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM443818;MM443818;N#CCC1=COC(CO)C1;SIJUJXRGLCMVHW-UHFFFAOYSA-N;139.15;0.57;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNda_SN0";;;;;;;1.17;;-1.13;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM443819;MM443819;CNC1C=C(C#N)C(C)C1;IAZVEQRCSBEHGW-UHFFFAOYSA-N;136.2;1.06;;;;;DOPC;MDCG;27;1;"MARTINI bead: SNd_SC5";;;;;;;1.64;;-1.34;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM443820;MM443820;C#Cc1nnc(C=C)n1N;BWBCPBUSBVSNSK-UHFFFAOYSA-N;134.14;-0.38;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNa_SP2";;;;;;;-0.24;;-3.24;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM443821;MM443821;CC=CC(N)C1CN1C=N;AICKCKVNUIUZBI-UHFFFAOYSA-N;139.2;0.18;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_SP2";;;;;;;-0.24;;-5.94;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM443822;MM443822;C=CCC1=COC(OC)C1;FJZWCNMBMGXBBV-UHFFFAOYSA-N;140.18;1.84;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNa_SC5";;;;;;;1.64;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM443823;MM443823;C=CC1=CC(OC)CC1C;HTUYOLUOJIVOKI-UHFFFAOYSA-N;138.21;2.15;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNa_SC2";;;;;;;2.83;;0.35;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM443824;MM443824;O=c1cnc(=O)oc(O)n1;OJDDMTYIYYKWRD-UHFFFAOYSA-N;142.07;-1.5;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP3_SP3";;;;;;;-3.07;;-10.28;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM443825;MM443825;CC=CC(N)C1CN1C=O;RXBSZICOWSJEKY-UHFFFAOYSA-N;140.19;-0.27;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_SP2";;;;;;;-0.24;;-4.59;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM443826;MM443826;COC1CC(CC#N)=CO1;AXOGPCHTSCSWBB-UHFFFAOYSA-N;139.15;1.18;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNa_SN0";;;;;;;1.17;;-1.18;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM443827;MM443827;COC1C=C(C#N)C(C)C1;WHIVOVXALKBFLS-UHFFFAOYSA-N;137.18;1.49;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNa_SC5";;;;;;;1.64;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM443828;MM443828;O=c1ncc(=O)oc(O)n1;YJIVWAPRFWJMCE-UHFFFAOYSA-N;142.07;-1.5;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP3_SP3";;;;;;;-3.07;;-10.28;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM443829;MM443829;CC=CC(O)C1CN1C=O;XMKJKOSLCJTEGW-UHFFFAOYSA-N;141.17;-0.24;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda_SP2";;;;;;;-0.24;;-3.31;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM443830;MM443830;CCC1CC(NC=N)=CO1;OROFCWNDQQNFLJ-UHFFFAOYSA-N;140.19;1.22;;;;;DOPC;MDCG;27;1;"MARTINI bead: SC5_SNd";;;;;;;1.64;;-2.5;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM443831;MM443831;C=CC1=CC(OC)CC1N;WPEVTEMZCUOZSH-UHFFFAOYSA-N;139.2;0.84;;;;;DOPC;MDCG;27;1;"MARTINI bead: SNa_SNd";;;;;;;0.87;;-4.26;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM443832;MM443832;C#CC1=CC=C(C#C)C1C;PBTZJZJRPSJONX-UHFFFAOYSA-N;128.17;1.76;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC5_SC5";;;;;;;2.41;;0.64;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM443833;MM443833;C=NN1CC1C(C)C=CC;HLUPCWBLUYWQSP-UHFFFAOYSA-N;138.21;1.5;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1_SP2";;;;;;;1.8;;0.4;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM443834;MM443834;N=CNC1=COC(CO)C1;XYGBMWABTYCCSG-UHFFFAOYSA-N;142.16;-0.19;;;;;DOPC;MDCG;27;1;"MARTINI bead: SNda_SNd";;;;;;;0.87;;-4.51;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM443835;MM443835;CCC1C=C(C=O)C(C)N1;JNFIMNWCXVMWJM-UHFFFAOYSA-N;139.2;0.88;;;;;DOPC;MDCG;27;1;"MARTINI bead: SNd_SNa";;;;;;;0.87;;-4.77;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM443836;MM443836;C#CC1=CC=C(C#C)C1N;YZSOIOXSDNGYFH-UHFFFAOYSA-N;129.16;0.45;;;;;DOPC;MDCG;27;1;"MARTINI bead: SC5_SNd";;;;;;;1.64;;-0.93;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM443837;MM443837;C=NN1CC1C(N)C=CC;ZYBUJMKUUUUHDP-UHFFFAOYSA-N;139.2;0.19;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_SP2";;;;;;;-0.24;;-4.44;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM443838;MM443838;N=CNC1=COC(CF)C1;ITDZIVQFTHCDRU-UHFFFAOYSA-N;144.15;0.78;;;;;DOPC;MDCG;27;1;"MARTINI bead: SNa_SNd";;;;;;;0.87;;-4.48;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM443839;MM443839;C=CC1=CC(CC)OC1C;PKXLAGXUTFGZBD-UHFFFAOYSA-N;138.21;2.3;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNa_SC5";;;;;;;1.64;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM443840;MM443840;C#CC1=NN=C(C#C)C1C;AOSIBQAWMLJYJQ-UHFFFAOYSA-N;130.15;0.7;;;;;DOPC;MDCG;27;0;"MARTINI bead: SN0_SN0";;;;;;;1.47;;-0.05;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM443841;MM443841;N#CC(C#N)(CF)NC=N;ATIYNQWQRGJGST-UHFFFAOYSA-N;140.12;-0.06;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_P2";;;;;;;-0.24;;-3.24;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM443842;MM443842;C=COC1=COC(CO)C1;LBHDBRYYPBAVHB-UHFFFAOYSA-N;142.15;0.77;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNda_SNa";;;;;;;0.87;;-1.99;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM443843;MM443843;CCN1C=C(C#N)C(C)C1;LJJQAJSEZKWXGZ-UHFFFAOYSA-N;136.2;1.37;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNd_SN0";;;;;;;1.17;;-1.04;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM443844;MM443844;C#Cc1ccc(C#C)n1C;BJWWJSHWZBSTMD-UHFFFAOYSA-N;129.16;0.99;;;;;DOPC;MDCG;27;0;"MARTINI bead: SN0_SN0";;;;;;;1.47;;-0.05;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM443845;MM443845;CC=CC(C)N1CC1C#N;AOSDROMEBMPEES-UHFFFAOYSA-N;136.2;1.16;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nd_SP2";;;;;;;-0.24;;-3.16;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM443846;MM443846;C=COC1=COC(CF)C1;MOFMUVJPSVJZKR-UHFFFAOYSA-N;144.15;1.75;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNa_SNa";;;;;;;0.87;;-2.22;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM443847;MM443847;C=CC1=NN(CC)CC1C;KNHUKLCWGWXNQC-UHFFFAOYSA-N;138.21;1.5;;;;;DOPC;MDCG;27;0;"MARTINI bead: SN0_SP1";;;;;;;0.34;;-1.53;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM443848;MM443848;C#Cc1ccc(C#C)n1N;DUOAQAWNLLTXQU-UHFFFAOYSA-N;130.15;0.16;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNd_SN0";;;;;;;1.17;;-1.04;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM443849;MM443849;C#CC1CC1C(N)C=CC;NXMMAJYUHDWKIP-UHFFFAOYSA-N;135.21;1.16;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_SC5";;;;;;;1.64;;-2.37;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM443850;MM443850;C=CNC1=NCC(CC)C1;WIKGKBHKDHSRMU-UHFFFAOYSA-N;138.21;1.55;;;;;DOPC;MDCG;27;1;"MARTINI bead: SC4_SNd";;;;;;;2.2;;-3.14;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM443851;MM443851;CCN1CC(C)C(C#N)=N1;ZKHREIICUVJVFU-UHFFFAOYSA-N;137.19;0.84;;;;;DOPC;MDCG;27;0;"MARTINI bead: SN0_SP1";;;;;;;0.34;;-1.53;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM443852;MM443852;C#Cc1ccc(C#C)n1O;GWQAWZRVEYATSH-UHFFFAOYSA-N;131.13;0.69;;;;;DOPC;MDCG;27;0;"MARTINI bead: SN0_SNda";;;;;;;1.17;;-1.13;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM443853;MM443853;C#CC1NC1C(N)C=CC;OIFWUHDPOCSNBZ-UHFFFAOYSA-N;136.2;-0.14;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_SP3";;;;;;;-1.1;;-5.54;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM443854;MM443854;C=CNC1=NCC(CN)C1;XVARRMHQHDIPGG-UHFFFAOYSA-N;139.2;0.1;;;;;DOPC;MDCG;27;1;"MARTINI bead: SP1_SNd";;;;;;;0.04;;-6.3;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM443855;MM443855;C=CC1=CC(C=C)CC1C;WMKAMNLFARCWIN-UHFFFAOYSA-N;134.22;2.94;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC4_SC2";;;;;;;4.16;;0.44;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM443856;MM443856;C#Cc1cnc(C#C)n1N;OBOTVNIWKFGQNW-UHFFFAOYSA-N;131.14;-0.44;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP1_SNa";;;;;;;0.04;;-2.54;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM443857;MM443857;C#CC1OC1C(C)C=CC;LISBAGCLNUXMEH-UHFFFAOYSA-N;136.19;1.6;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1_SNa";;;;;;;2.91;;0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM443858;MM443858;C=CNC1=NCC(CO)C1;RYMKZESHBYPPFY-UHFFFAOYSA-N;140.19;0.13;;;;;DOPC;MDCG;27;1;"MARTINI bead: SNda_SNd";;;;;;;0.87;;-5.54;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM443859;MM443859;C=CC1=CC(C=O)CC1C;AOVREBKAVSIEAV-UHFFFAOYSA-N;136.19;1.95;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNa_SC2";;;;;;;2.83;;0.35;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM443860;MM443860;C#Cc1nnc(C#C)n1C;RNUHEDXBZHJGLR-UHFFFAOYSA-N;131.14;-0.22;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP1_SP1";;;;;;;-0.79;;-3.13;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM443861;MM443861;C=C(C=CC)C1CC1CC;KJCHRCAVGYOYBH-UHFFFAOYSA-N;136.24;3.16;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC3_C1";;;;;;;4.61;;0.31;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM443862;MM443862;C=CNC1=NCC(CF)C1;AFNTYSMGVKVQMT-UHFFFAOYSA-N;142.18;1.11;;;;;DOPC;MDCG;27;1;"MARTINI bead: SNa_SNd";;;;;;;0.87;;-5.5;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM443863;MM443863;C=CC1=CC(C#N)CC1C;DORSDODXIDSGKL-UHFFFAOYSA-N;133.19;2.28;;;;;DOPC;MDCG;27;0;"MARTINI bead: SN0_SC2";;;;;;;3.13;;0.3;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM443864;MM443864;C#Cc1nnc(C#C)n1N;VNWWDKMVCRAPMZ-UHFFFAOYSA-N;132.13;-1.05;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP2_SP1";;;;;;;-1.06;;-3.82;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM443865;MM443865;C=C(C=CC)C1CC1CN;NHDZLJWOVAOCNJ-UHFFFAOYSA-N;137.23;1.71;;;;;DOPC;MDCG;27;1;"MARTINI bead: C1_SNd";;;;;;;2.91;;-0.55;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM443866;MM443866;C=CNC1=NCC(NC)C1;MCVHZYPADYKTCA-UHFFFAOYSA-N;139.2;0.11;;;;;DOPC;MDCG;27;1;"MARTINI bead: SNd_SNd";;;;;;;0.87;;-5.25;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM443867;MM443867;C=CC1C=C(C=O)C(C)C1;KPPLOPBSHULLRC-UHFFFAOYSA-N;136.19;1.95;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC4_SC5";;;;;;;2.97;;0.45;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM443868;MM443868;C=C1C(CC)=CC=C1CC;RSJWOUAUXKBZHA-UHFFFAOYSA-N;134.22;3.23;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC3_SC3";;;;;;;4.27;;0.2;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM443869;MM443869;CC=CC(=O)C1CC1CC;DFYHWTMHMVSLCU-UHFFFAOYSA-N;138.21;2.18;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC3_C5";;;;;;;3.34;;0.48;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM443870;MM443870;C=CNC1=NCC(OC)C1;AEVUOPHDIIYIIV-UHFFFAOYSA-N;140.19;0.54;;;;;DOPC;MDCG;27;1;"MARTINI bead: SNa_SNd";;;;;;;0.87;;-4.49;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM443871;MM443871;C=CC1C=C(C#N)C(C)C1;PLYGGVBDYZSWHK-UHFFFAOYSA-N;133.19;2.28;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC4_SC5";;;;;;;2.97;;0.45;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM443872;MM443872;C=C1C(CC)=CC=C1CN;CHNHEOWDWHZHHR-UHFFFAOYSA-N;135.21;1.78;;;;;DOPC;MDCG;27;1;"MARTINI bead: SC3_SNd";;;;;;;2.57;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM443873;MM443873;C=C(C=CC)C1CC1NC;SUUUDJYTBFITTO-UHFFFAOYSA-N;137.23;1.73;;;;;DOPC;MDCG;27;1;"MARTINI bead: SNd_C1";;;;;;;2.91;;-0.49;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM443874;MM443874;C=CCC1=NNC(CC)C1;RRPVPZGQTPFCBP-UHFFFAOYSA-N;138.21;1.69;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNd_SN0";;;;;;;1.17;;-1.04;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM443875;MM443875;CC1CC(C=O)C=C1C=O;YUOYCEKNKWQJBC-UHFFFAOYSA-N;138.17;0.97;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNa_SC5";;;;;;;1.64;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM443876;MM443876;CCC1(O)CCC=C1C;UUAUJXCPQYLPLI-UHFFFAOYSA-N;126.2;1.87;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC5_SC4";;;;;;;2.97;;0.45;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM443877;MM443877;CC=CC(=O)C1CC1NC;WQBMYPLZJWIKOD-UHFFFAOYSA-N;139.2;0.74;;;;;DOPC;MDCG;27;1;"MARTINI bead: SNd_C5";;;;;;;1.64;;-1.97;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM443878;MM443878;CCC1CC(CC#N)=NN1;MWPLBEGVRPRUAM-UHFFFAOYSA-N;137.19;1.03;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNd_SP1";;;;;;;0.04;;-2.63;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM443879;MM443879;CC1CC(C=O)C=C1C#N;OWMHDCHSRNNPLY-UHFFFAOYSA-N;135.17;1.29;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNa_SC5";;;;;;;1.64;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM443880;MM443880;C=C1C(CC)=CC=C1CF;IIOHIGYWAZDEOS-UHFFFAOYSA-N;138.19;2.79;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC3_SC5";;;;;;;3.34;;0.48;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM443881;MM443881;C=C(C=CC)C1NC1CN;NSBGTMMHQWXNIV-UHFFFAOYSA-N;138.21;0.42;;;;;DOPC;MDCG;27;1;"MARTINI bead: C1_SP2";;;;;;;1.8;;-0.84;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM443882;MM443882;C=CCC1=NNC(CN)C1;GGEVNWQPVGVAFR-UHFFFAOYSA-N;139.2;0.24;;;;;DOPC;MDCG;27;1;"MARTINI bead: SP1_SN0";;;;;;;0.34;;-3.16;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM443883;MM443883;C=C1C(CN)=CC=C1CN;GBDUOTUYXWMZGU-UHFFFAOYSA-N;136.2;0.33;;;;;DOPC;MDCG;27;1;"MARTINI bead: SNd_SNd";;;;;;;0.87;;-4.59;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM443884;MM443884;CC1CC(C#N)C=C1C#N;LAMMTINCIKGYFA-UHFFFAOYSA-N;132.17;1.62;;;;;DOPC;MDCG;27;0;"MARTINI bead: SN0_SC5";;;;;;;1.94;;0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM443885;MM443885;C#CC(C#C)(C#N)NC=N;YBWWWGZLCDCDOH-UHFFFAOYSA-N;131.14;-0.29;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_Nd";;;;;;;-0.24;;-3.16;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM443886;MM443886;CCC#CC(=O)OC=NN;RDDOYVUOVBIMJY-UHFFFAOYSA-N;140.14;-0.16;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_P1";;;;;;;0.81;;-0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM443887;MM443887;C=C1C(CN)=CC=C1CO;PGDUEANSQOQMPL-UHFFFAOYSA-N;137.18;0.36;;;;;DOPC;MDCG;27;1;"MARTINI bead: SNd_SNda";;;;;;;0.87;;-4.09;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM443888;MM443888;C=CC1=CC(C=C)CC1N;YGVWAHZORKTARD-UHFFFAOYSA-N;135.21;1.63;;;;;DOPC;MDCG;27;1;"MARTINI bead: SC4_SNd";;;;;;;2.2;;-1.86;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM443889;MM443889;C=C(C=CC)C1CN1CC;MDHPYKJQKGZYAD-UHFFFAOYSA-N;137.23;1.82;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNd_C1";;;;;;;2.91;;0.66;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM443890;MM443890;N#CCC1=NNC(CO)C1;ZVCFHKBAAPMOLN-UHFFFAOYSA-N;139.16;-0.39;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP2_SP1";;;;;;;-1.06;;-3.82;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM443891;MM443891;C=C1C(CN)=CC=C1CF;ZEHXCSAHKOFYEY-UHFFFAOYSA-N;139.17;1.34;;;;;DOPC;MDCG;27;1;"MARTINI bead: SNd_SC5";;;;;;;1.64;;-2.07;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM443892;MM443892;C=CC1=CC(C=O)NC1C;OPXHOZOEBHZMIE-UHFFFAOYSA-N;137.18;0.66;;;;;DOPC;MDCG;27;1;"MARTINI bead: SP2_SN0";;;;;;;0.06;;-3.66;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM443893;MM443893;CC=CC(=O)N1CC1CC;LOUCYGGRXSZUSN-UHFFFAOYSA-N;139.2;1.18;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP1_Nda";;;;;;;0.04;;-2.73;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM443894;MM443894;C=CCC1=NNC(CF)C1;KKHOPEGMDYPIMZ-UHFFFAOYSA-N;142.18;1.25;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNda_SN0";;;;;;;1.17;;-1.13;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM443895;MM443895;Cc1nn(N)c(F)c1N;CUZSMWFFOZFBOR-UHFFFAOYSA-N;130.13;-0.37;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNa_SP1";;;;;;;0.04;;-2.54;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM443896;MM443896;C=CC1=CC(C#N)NC1C;LLARDSLGOLRSTQ-UHFFFAOYSA-N;134.18;0.98;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP1_SN0";;;;;;;0.34;;-1.53;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM443897;MM443897;NC=CC(=O)N1CC1CN;IYEIKSCYDCDNDD-UHFFFAOYSA-N;141.17;-1.37;;;;;DOPC;MDCG;27;1;"MARTINI bead: SP2_P3";;;;;;;-2.2;;-6.91;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM443898;MM443898;C=CNC1=NNC(CC)C1;SEAHTHWKZWBEKR-UHFFFAOYSA-N;139.2;0.8;;;;;DOPC;MDCG;27;1;"MARTINI bead: SNd_SP1";;;;;;;0.04;;-3.97;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM443899;MM443899;C=C1C(CF)=CC=C1CF;UKNKXBAXUOOMOT-UHFFFAOYSA-N;142.15;2.35;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC5_SC5";;;;;;;2.41;;0.64;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM443900;MM443900;COC1=NC(=NN)C=C1;XFTZFPIBVYYVIF-UHFFFAOYSA-N;125.13;-0.13;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNa_SNd";;;;;;;0.87;;-1.88;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM443901;MM443901;C=CC1CC1C(=C)C=CC;HZRHEOKWIZEDKW-UHFFFAOYSA-N;134.22;2.94;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1_SC4";;;;;;;4.24;;0.42;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM443902;MM443902;C=CNC1=NNC(CN)C1;COAMLCBNXDHWKD-UHFFFAOYSA-N;140.19;-0.65;;;;;DOPC;MDCG;27;1;"MARTINI bead: SP1_SP1";;;;;;;-0.79;;-4.75;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM443903;MM443903;C=C1C(CC)=CC=C1OC;OIDOPTGUBYRWBI-UHFFFAOYSA-N;136.19;2.42;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC3_SC5";;;;;;;3.34;;0.48;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM443904;MM443904;CC1NC(C#N)C=C1C#N;PTXLRSZRGZKULU-UHFFFAOYSA-N;133.15;0.32;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP1_SP1";;;;;;;-0.79;;-3.13;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM443905;MM443905;C=CC1CC1C(=O)C=CC;GSNSNBBQNUTQCH-UHFFFAOYSA-N;136.19;1.95;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_SC4";;;;;;;2.97;;0.45;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM443906;MM443906;C=CN=C1CC(CO)NN1;RDZMEXLWLYJFSP-UHFFFAOYSA-N;141.17;-0.61;;;;;DOPC;MDCG;27;1;"MARTINI bead: SP3_SP2";;;;;;;-2.2;;-7.42;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM443907;MM443907;C=C1C(CF)=CC=C1OC;ZDPXYWACRWMAHB-UHFFFAOYSA-N;140.16;1.98;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC5_SC5";;;;;;;2.41;;0.64;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM443908;MM443908;C=CC1=CC(C#N)OC1C;ILTDVYZLVAZDJB-UHFFFAOYSA-N;135.17;1.41;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNa_SC5";;;;;;;1.64;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM443909;MM443909;C=CC1NC1C(=C)C=CC;RRMUTRNNIGPHEW-UHFFFAOYSA-N;135.21;1.65;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1_SP1";;;;;;;2.08;;0.51;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM443910;MM443910;C=CNC1=NNC(CF)C1;NHITXWBRNARICY-UHFFFAOYSA-N;143.17;0.36;;;;;DOPC;MDCG;27;1;"MARTINI bead: SNda_SP1";;;;;;;0.04;;-3.98;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM443911;MM443911;C=C1C(CC)=NN=C1CC;MWZNPCFXSFJVJI-UHFFFAOYSA-N;136.2;2.17;;;;;DOPC;MDCG;27;0;"MARTINI bead: SN0_SC5";;;;;;;1.94;;0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM443912;MM443912;C=CC1=CN(C=N)CC1C;DYDWBNXZYBMJQN-UHFFFAOYSA-N;136.2;1.62;;;;;DOPC;MDCG;27;1;"MARTINI bead: SP1_SN0";;;;;;;0.34;;-4.77;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM443913;MM443913;C=C(C=CC)C1NC1C#N;NWBGKJKTOXOSBT-UHFFFAOYSA-N;134.18;0.98;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1_SP2";;;;;;;1.8;;0.4;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM443914;MM443914;C=CCC1=NOC(CC)C1;QKMKVEVRRVPJOZ-UHFFFAOYSA-N;139.2;2.12;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC5_SN0";;;;;;;1.94;;0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM443915;MM443915;C=C1C(CC)=NN=C1CO;ORBWSFXMSZPVAC-UHFFFAOYSA-N;138.17;0.76;;;;;DOPC;MDCG;27;0;"MARTINI bead: SN0_SNda";;;;;;;1.17;;-1.13;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM443916;MM443916;C=CC1=CN(C=O)CC1C;PTYXNRCKIKBYCX-UHFFFAOYSA-N;137.18;1.16;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP1_SN0";;;;;;;0.34;;-1.53;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM443917;MM443917;C=NN(C=O)C=CC(C)=O;YJYXZRQQWMVTLU-UHFFFAOYSA-N;140.14;0.16;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_P2";;;;;;;-0.24;;-3.24;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM443918;MM443918;CCC1CC(CC#N)=NO1;CXSGKUMPNIXXTR-UHFFFAOYSA-N;138.17;1.45;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC5_SP1";;;;;;;0.81;;-0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM443919;MM443919;C=C1C(CC)=NN=C1CF;VPEDFSQYIANEQB-UHFFFAOYSA-N;140.16;1.73;;;;;DOPC;MDCG;27;0;"MARTINI bead: SN0_SNa";;;;;;;1.17;;-1.18;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM443920;MM443920;CC1CN(C=N)C=C1C=O;VZJORDXJRWCDCA-UHFFFAOYSA-N;138.17;0.63;;;;;DOPC;MDCG;27;1;"MARTINI bead: SP1_SP1";;;;;;;-0.79;;-5.74;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM443921;MM443921;CC(=O)N=CN(C=N)C=O;AYLLLZMPJKUWDM-UHFFFAOYSA-N;141.13;-0.37;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_P4";;;;;;;-1.19;;-4.76;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM443922;MM443922;C=CCC1=NOC(CN)C1;HLCINMYLDGZDHW-UHFFFAOYSA-N;140.19;0.67;;;;;DOPC;MDCG;27;1;"MARTINI bead: SP1_SN0";;;;;;;0.34;;-3.02;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM443923;MM443923;C=C1C(CC)=NN=C1OC;YUCUFOSWGWIQDQ-UHFFFAOYSA-N;138.17;1.37;;;;;DOPC;MDCG;27;0;"MARTINI bead: SN0_SNa";;;;;;;1.17;;-1.18;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM443924;MM443924;CC1CN(C=N)C=C1C#N;GKOGRMTZHPOHFO-UHFFFAOYSA-N;135.17;0.95;;;;;DOPC;MDCG;27;1;"MARTINI bead: SP1_SN0";;;;;;;0.34;;-3.83;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM443925;MM443925;C=CC1OC1C(=O)C=CN;CDYBNJXNKDJJCJ-UHFFFAOYSA-N;139.15;-0.02;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_SNa";;;;;;;-0.24;;-3.24;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM443926;MM443926;N#CCC1=NOC(CO)C1;JCWIKIMFSNCFJD-UHFFFAOYSA-N;140.14;0.04;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP1_SP1";;;;;;;-0.79;;-3.13;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM443927;MM443927;C=C1C(CN)=NN=C1OC;NWCNDMUTKFPSSW-UHFFFAOYSA-N;139.16;-0.08;;;;;DOPC;MDCG;27;1;"MARTINI bead: SNa_SP1";;;;;;;0.04;;-3.59;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM443928;MM443928;CC1CN(C=O)C=C1C=O;NGCBUOSERYTUBE-UHFFFAOYSA-N;139.15;0.18;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP1_SP1";;;;;;;-0.79;;-3.13;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM443929;MM443929;CC=CC(=O)C1CN1C=N;LFPMRNGOXGKFDW-UHFFFAOYSA-N;138.17;0.42;;;;;DOPC;MDCG;27;1;"MARTINI bead: Na_SP2";;;;;;;-0.24;;-4.79;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM443930;MM443930;N#CCC1=NOC(CF)C1;NDPGESZMATZPSY-UHFFFAOYSA-N;142.13;1.01;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNa_SP1";;;;;;;0.04;;-2.54;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM443931;MM443931;C=C1C(CO)=NN=C1OC;FZFKKMDZFFDOTO-UHFFFAOYSA-N;140.14;-0.05;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNa_SNda";;;;;;;0.87;;-1.99;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM443932;MM443932;CC1CN(C=O)C=C1C#N;GMXHHYCRNHOVAD-UHFFFAOYSA-N;136.15;0.5;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP1_SN0";;;;;;;0.34;;-1.53;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM443933;MM443933;N=CN1CC1C(=O)C=CN;ORMBMDAGZDFJLR-UHFFFAOYSA-N;139.16;-0.68;;;;;DOPC;MDCG;27;1;"MARTINI bead: P2_SP2";;;;;;;-1.34;;-5.86;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM443934;MM443934;C=CCC1=NOC(OC)C1;LPONNCUUJFOJQN-UHFFFAOYSA-N;141.17;1.31;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNa_SN0";;;;;;;1.17;;-1.18;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM443935;MM443935;C=C1C(OC)=NN=C1OC;DKSJHJHKZUQZJO-UHFFFAOYSA-N;140.14;0.56;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNa_SNa";;;;;;;0.87;;-2.22;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM443936;MM443936;C=CC1=CN(C=N)CC1N;FZNRXKPOUDRZOU-UHFFFAOYSA-N;137.19;0.31;;;;;DOPC;MDCG;27;1;"MARTINI bead: SP1_SP2";;;;;;;-1.06;;-6.62;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM443937;MM443937;C=NN1CC1C(=C)C=CC;MECJPIPYEWCHBZ-UHFFFAOYSA-N;136.2;1.42;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1_SP2";;;;;;;1.8;;0.4;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM443938;MM443938;COC1CC(CC#N)=NO1;JGNFISFVOANCMV-UHFFFAOYSA-N;140.14;0.65;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNa_SP1";;;;;;;0.04;;-2.54;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM443939;MM443939;C=CC1=CC=C(CC)C1=C;PHISPWWJJUGCEG-UHFFFAOYSA-N;132.21;3.01;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC3_SC4";;;;;;;3.9;;0.47;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM443940;MM443940;C=NN1C=C(C=O)C(C)C1;VTAZUCAVIHWTTE-UHFFFAOYSA-N;138.17;0.64;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP1_SP1";;;;;;;-0.79;;-3.13;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM443941;MM443941;C#CC1(CC(=O)C=C)CN1;IRWCTLFYALXYCI-UHFFFAOYSA-N;135.17;0.11;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_SP3";;;;;;;-1.1;;-4.2;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM443942;MM443942;C=CNC1=NOC(CC)C1;KXYHEAPYUPVBET-UHFFFAOYSA-N;140.19;1.23;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC5_SNd";;;;;;;1.64;;0.03;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM443943;MM443943;C=C1C(C#N)=CC=C1CC;BJOPTPFWGSNMPP-UHFFFAOYSA-N;131.18;2.34;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC3_SC5";;;;;;;3.34;;0.48;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM443944;MM443944;C=NN1C=C(C#N)C(C)C1;BPAHKNLZFNJDMF-UHFFFAOYSA-N;135.17;0.96;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP1_SN0";;;;;;;0.34;;-1.53;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM443945;MM443945;CC=CC(=O)N1CC1C#N;TZIKZPSGZFQDFU-UHFFFAOYSA-N;136.15;0.3;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda_SP2";;;;;;;-0.24;;-3.31;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM443946;MM443946;C=CNC1=NOC(CN)C1;LMUFABGMJXEYCI-UHFFFAOYSA-N;141.17;-0.22;;;;;DOPC;MDCG;27;1;"MARTINI bead: SP1_SNd";;;;;;;0.04;;-4.02;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM443947;MM443947;C=CC1=CC=C(CN)C1=C;YCOCSBBEUDPMKJ-UHFFFAOYSA-N;133.19;1.55;;;;;DOPC;MDCG;27;1;"MARTINI bead: SNd_SC4";;;;;;;2.2;;-1.6;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM443948;MM443948;C=CC1=CN(C=N)NC1C;VZPLOBWSVYTVLD-UHFFFAOYSA-N;137.19;0.87;;;;;DOPC;MDCG;27;1;"MARTINI bead: SP3_SP1";;;;;;;-1.93;;-6.79;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM443949;MM443949;C=C(CC)N=CNN=CC;XHVNNGRRIIHULA-UHFFFAOYSA-N;139.2;1.53;;;;;DOPC;MDCG;27;0;"MARTINI bead: C3_P1";;;;;;;1.74;;0.29;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM443950;MM443950;C=CCC1=NCC(CN)N1;LVNZBENCZOIPCZ-UHFFFAOYSA-N;139.2;-0.11;;;;;DOPC;MDCG;27;1;"MARTINI bead: SP3_SNd";;;;;;;-1.1;;-6.26;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM443951;MM443951;C=Cc1nc(C)c(N)o1;CPHYNJTZYFBCDJ-UHFFFAOYSA-N;124.14;1.21;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNa_SNd";;;;;;;0.87;;-1.88;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM443952;MM443952;CC1NN(C=N)C=C1C#N;XDDWLKJIIXCEBU-UHFFFAOYSA-N;136.16;0.21;;;;;DOPC;MDCG;27;1;"MARTINI bead: SP3_SP2";;;;;;;-2.2;;-6.35;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM443953;MM443953;C#CC1CN1C(=N)C=CC;PZJTWIIAKMABMV-UHFFFAOYSA-N;134.18;0.86;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_SP3";;;;;;;-1.1;;-5.62;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM443954;MM443954;C=CCC1=NCC(CO)N1;LKPJOUQPJONPFU-UHFFFAOYSA-N;140.19;-0.07;;;;;DOPC;MDCG;27;1;"MARTINI bead: SP2_SNd";;;;;;;-0.24;;-5.2;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM443955;MM443955;C=C1C(C#N)=CC=C1CO;WWFCXMSFROAKBK-UHFFFAOYSA-N;133.15;0.92;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNda_SC5";;;;;;;1.64;;0.05;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM443956;MM443956;CC1NN(C=O)C=C1C#N;YEKBESZCFWFBAL-UHFFFAOYSA-N;137.14;-0.24;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP2_SP2";;;;;;;-1.34;;-4.31;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM443957;MM443957;CC#CC(C)C1CC1CN;KPQHFEAJPFALPS-UHFFFAOYSA-N;137.23;1.24;;;;;DOPC;MDCG;27;1;"MARTINI bead: C3_SNd";;;;;;;2.57;;-1.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM443958;MM443958;C=CNC1=NCC(CC)N1;RUMZIBABDGPDLZ-UHFFFAOYSA-N;139.2;0.46;;;;;DOPC;MDCG;27;1;"MARTINI bead: SN0_SP1";;;;;;;0.34;;-5.73;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM443959;MM443959;C=C1C(C=O)=CC=C1CF;DKTPOQZTZMDELG-UHFFFAOYSA-N;138.14;1.58;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC5_SNa";;;;;;;1.64;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM443960;MM443960;C=CC1=NN(C=N)CC1C;BSDXOVOWGSEZFN-UHFFFAOYSA-N;137.19;1.09;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP2_SP1";;;;;;;-1.06;;-3.82;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM443961;MM443961;C#CC(N=NC)=C(C)NN;SLRCGBXKFBAIAA-UHFFFAOYSA-N;138.17;0.4;;;;;DOPC;MDCG;27;0;"MARTINI bead: C3_P3";;;;;;;0.6;;-0.8;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM443962;MM443962;C=CCC1=CCC(CC)O1;PAPLWLCEMXBCSX-UHFFFAOYSA-N;138.21;2.65;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC5_SC5";;;;;;;2.41;;0.64;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM443963;MM443963;C=C1C(C#N)=CC=C1CF;MRKJYJWEDDRWBP-UHFFFAOYSA-N;135.14;1.9;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC5_SC5";;;;;;;2.41;;0.64;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM443964;MM443964;C=CC1=NN(C=O)CC1C;DIIXMOFCIINDJB-UHFFFAOYSA-N;138.17;0.64;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP2_SP1";;;;;;;-1.06;;-3.82;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM443965;MM443965;CC#CC(N)C1CC1CN;ZAIWLJAGYUWUCR-UHFFFAOYSA-N;138.21;-0.07;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_SNd";;;;;;;0.87;;-4.96;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM443966;MM443966;CCC1CC=C(CC#N)O1;BXORYURBKVAKOW-UHFFFAOYSA-N;137.18;1.98;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC5_SNa";;;;;;;1.64;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM443967;MM443967;CCC1=CC=C(C#N)C1=O;BBLXNRCMVKDKRJ-UHFFFAOYSA-N;133.15;1.36;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC3_SNa";;;;;;;2.57;;0.45;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM443968;MM443968;CC1CN(C=N)N=C1C#N;OXFDYOBPOMTEKW-UHFFFAOYSA-N;136.16;0.42;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP2_SP1";;;;;;;-1.06;;-3.82;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM443969;MM443969;CC#CC(F)C1CC1CC;FTUUPHWEMNBCLT-UHFFFAOYSA-N;140.2;2.39;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC3_C5";;;;;;;3.34;;0.48;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM443970;MM443970;C=CCC1=CCC(CN)O1;YZSMOPMYTUHMFT-UHFFFAOYSA-N;139.2;1.19;;;;;DOPC;MDCG;27;1;"MARTINI bead: SP1_SC5";;;;;;;0.81;;-2.54;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM443971;MM443971;C=C1C(C=O)=CC=C1OC;UHAUOUGJOGKALY-UHFFFAOYSA-N;136.15;1.21;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC5_SNa";;;;;;;1.64;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM443972;MM443972;CC1CN(C=O)N=C1C#N;MQMYRBYDWQXLBG-UHFFFAOYSA-N;137.14;-0.03;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP2_SP1";;;;;;;-1.06;;-3.82;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM443973;MM443973;CC#CC(C)C1CC1NC;YBJPICKHHFDCHO-UHFFFAOYSA-N;137.23;1.25;;;;;DOPC;MDCG;27;1;"MARTINI bead: SNd_C3";;;;;;;2.57;;-1.47;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM443974;MM443974;C=CCC1=CCC(CO)O1;HGEHSPMMGNGAKI-UHFFFAOYSA-N;140.18;1.23;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNda_SC5";;;;;;;1.64;;0.05;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM443975;MM443975;C=C1C(C#N)=CC=C1OC;SNAUPUHVPROXSM-UHFFFAOYSA-N;133.15;1.54;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC5_SC5";;;;;;;2.41;;0.64;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM443976;MM443976;C#CC1C=C(C=C)C(C)C1;JNBZZOILIJBGQU-UHFFFAOYSA-N;132.21;2.39;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC5_SC2";;;;;;;3.6;;0.34;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM443977;MM443977;CC#CC(N)C1CC1NC;WKZMSWMEDCEWLL-UHFFFAOYSA-N;138.21;-0.06;;;;;DOPC;MDCG;27;1;"MARTINI bead: SNd_Nd";;;;;;;0.87;;-4.53;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM443978;MM443978;C=CCC1=CCC(CF)O1;CNMKRVYYDKDASC-UHFFFAOYSA-N;142.17;2.2;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNa_SC5";;;;;;;1.64;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM443979;MM443979;C=C1C(C=O)=CN=C1CC;VZQUYRPCCDJLFE-UHFFFAOYSA-N;135.17;1.49;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC4_SNa";;;;;;;2.2;;0.35;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM443980;MM443980;C#CC1C=C(C=O)C(C)C1;ZNZFCGDKTQCYTD-UHFFFAOYSA-N;134.18;1.4;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC5_SC5";;;;;;;2.41;;0.64;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM443981;MM443981;CC#CC(O)C1CC1NC;VHMVLAFIVPHCPK-UHFFFAOYSA-N;139.2;-0.02;;;;;DOPC;MDCG;27;1;"MARTINI bead: SNd_Nda";;;;;;;0.87;;-4.11;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM443982;MM443982;C=CCC1=CCC(OC)O1;YMQVLDQFJNZEDX-UHFFFAOYSA-N;140.18;1.84;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNa_SC5";;;;;;;1.64;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM443983;MM443983;C=C1C(C#N)=CN=C1CC;UJTMMOWRQWBHBE-UHFFFAOYSA-N;132.17;1.81;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC4_SN0";;;;;;;2.5;;0.44;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM443984;MM443984;C#CC1C=C(C#N)C(C)C1;OWTJMDKKQLVMPT-UHFFFAOYSA-N;131.18;1.73;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC5_SC5";;;;;;;2.41;;0.64;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM443985;MM443985;CC#CC(F)C1CC1NC;NPJYZLIWHSNGKH-UHFFFAOYSA-N;141.19;0.96;;;;;DOPC;MDCG;27;1;"MARTINI bead: SNd_C5";;;;;;;1.64;;-2.21;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM443986;MM443986;COC1CC=C(CC#N)O1;CVKKNHNQZVERNC-UHFFFAOYSA-N;139.15;1.18;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNa_SNa";;;;;;;0.87;;-2.22;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM443987;MM443987;C=NN=C1CCC(C)N1;XIOOSUIPBALZAX-UHFFFAOYSA-N;125.18;0.77;;;;;DOPC;MDCG;27;0;"MARTINI bead: SN0_SNd";;;;;;;1.17;;-1.04;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM443988;MM443988;C#CC1C=C(C=C)C(N)C1;UPRMZEQNFKJXJM-UHFFFAOYSA-N;133.19;1.08;;;;;DOPC;MDCG;27;1;"MARTINI bead: SC5_SNd";;;;;;;1.64;;-2.31;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM443989;MM443989;CC#CC(N)C1CC1OC;MVMJJDOUFAXQLN-UHFFFAOYSA-N;139.2;0.37;;;;;DOPC;MDCG;27;1;"MARTINI bead: SNa_Nd";;;;;;;0.87;;-3.61;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM443990;MM443990;N=CNC1=CCC(CF)O1;IEPVNPFFPFFXGO-UHFFFAOYSA-N;144.15;0.78;;;;;DOPC;MDCG;27;1;"MARTINI bead: SNa_SP1";;;;;;;0.04;;-4.77;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM443991;MM443991;C=C1C(C#N)=CN=C1CF;OKZFITQCUHSSGU-UHFFFAOYSA-N;136.13;1.37;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNa_SN0";;;;;;;1.17;;-1.18;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM443992;MM443992;C#CC1C=C(C=C)C(C)N1;NITXVOJOPUVZGN-UHFFFAOYSA-N;133.19;1.09;;;;;DOPC;MDCG;27;1;"MARTINI bead: SP1_SN0";;;;;;;0.34;;-3.71;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM443993;MM443993;CC#CC(O)C1CC1OC;VDVLIWPZJCCRHZ-UHFFFAOYSA-N;140.18;0.41;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNa_Nda";;;;;;;0.87;;-1.99;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM443994;MM443994;C=CCC1=COC(CC)O1;VXHZXJBBXQTSIU-UHFFFAOYSA-N;140.18;2.19;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNa_SNa";;;;;;;0.87;;-2.22;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM443995;MM443995;C#CC1C=C(C=O)C(C)N1;WEMBBXMSXQXDCG-UHFFFAOYSA-N;135.17;0.11;;;;;DOPC;MDCG;27;1;"MARTINI bead: SP1_SNa";;;;;;;0.04;;-4.05;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM443996;MM443996;C=C1C(C=O)=CN=C1OC;SYKMWEUANIJECY-UHFFFAOYSA-N;137.14;0.68;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNa_SNa";;;;;;;0.87;;-2.22;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM443997;MM443997;CC#CC(C)C1NC1CN;NZHGWBYYTJHNEP-UHFFFAOYSA-N;138.21;-0.06;;;;;DOPC;MDCG;27;1;"MARTINI bead: C3_SP2";;;;;;;1.46;;-1.97;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM443998;MM443998;C=CCC1=COC(CN)O1;CYBBPQDAFKWKLS-UHFFFAOYSA-N;141.17;0.74;;;;;DOPC;MDCG;27;1;"MARTINI bead: SP2_SNa";;;;;;;-0.24;;-4.53;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM443999;MM443999;C#CC1C=C(C=C)C(C)O1;LVPQCLMCHLIJRD-UHFFFAOYSA-N;134.18;1.52;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNa_SC5";;;;;;;1.64;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM444000;MM444000;C=CC1=CN=C(OC)C1=O;STQBKRJOUYOCKN-UHFFFAOYSA-N;137.14;0.68;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNa_SC5";;;;;;;1.64;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM444001;MM444001;CC#CC(N)C1NC1CN;DQFZZIZRQLQNQW-UHFFFAOYSA-N;139.2;-1.36;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_SP2";;;;;;;-0.24;;-5.14;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM444002;MM444002;C=CCC1=COC(CF)O1;MBXWLNSXRUROHP-UHFFFAOYSA-N;144.15;1.75;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNa_SNa";;;;;;;0.87;;-2.22;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM444003;MM444003;C#CC1=CC(CC)CC1C;BZMPKYGOLVVZRM-UHFFFAOYSA-N;134.22;2.61;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC2_SC4";;;;;;;4.16;;0.44;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM444004;MM444004;C=CC1=NN=C(CC)C1=C;YVJNWDYVMMZXBU-UHFFFAOYSA-N;134.18;1.95;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC5_SN0";;;;;;;1.94;;0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM444005;MM444005;CC#CC(F)C1NC1CF;YQKDKGSUIHVUMA-UHFFFAOYSA-N;145.15;0.66;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_SP1";;;;;;;0.81;;-0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM444006;MM444006;C=CCC1=NOC(CC)O1;VKPCBUYTWKLQGO-UHFFFAOYSA-N;141.17;1.66;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNa_SNa";;;;;;;0.87;;-2.22;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM444007;MM444007;C#CC1=CC(CN)CC1C;QNJRHRJIOULDTH-UHFFFAOYSA-N;135.21;1.16;;;;;DOPC;MDCG;27;1;"MARTINI bead: SNd_SC4";;;;;;;2.2;;-2.19;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM444008;MM444008;C=C1C(C=O)=NN=C1CC;WCIYRXAEKJTPKP-UHFFFAOYSA-N;136.15;0.96;;;;;DOPC;MDCG;27;0;"MARTINI bead: SN0_SNa";;;;;;;1.17;;-1.18;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM444009;MM444009;CC#CC(C)C1OC1CC;ANYVJWRBHPBQCI-UHFFFAOYSA-N;138.21;1.82;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNa_C3";;;;;;;2.57;;0.45;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM444010;MM444010;C=CC#CC(=O)OC=NN;YHYOBTVSBOFOGD-UHFFFAOYSA-N;138.13;-0.38;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_N0";;;;;;;0.34;;-1.53;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM444011;MM444011;NN=C1CCN(N)C=N1;HCNRJPFVUQQBCH-UHFFFAOYSA-N;127.15;-1.13;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP2_SP1";;;;;;;-1.06;;-3.82;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM444012;MM444012;C=C1C(C#N)=NN=C1CC;HIUJEYKUMSUWKJ-UHFFFAOYSA-N;133.15;1.29;;;;;DOPC;MDCG;27;0;"MARTINI bead: SN0_SN0";;;;;;;1.47;;-0.05;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM444013;MM444013;CC#CC(N)C1OC1CC;IGYSFTXNFADMCC-UHFFFAOYSA-N;139.2;0.51;;;;;DOPC;MDCG;27;1;"MARTINI bead: SNa_Nd";;;;;;;0.87;;-2.89;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM444014;MM444014;C=CCC1=CCN(CC)C1;UABLEYVNTGAJJE-UHFFFAOYSA-N;137.23;1.82;;;;;DOPC;MDCG;27;1;"MARTINI bead: SNd_SN0";;;;;;;1.17;;-3.23;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM444015;MM444015;C#CC1=CC(CF)CC1C;CPPBUUNDWBBOPN-UHFFFAOYSA-N;138.19;2.17;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC5_SC4";;;;;;;2.97;;0.45;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM444016;MM444016;C=CC1=NN=C(CO)C1=C;DQSWTOQRWNEIIR-UHFFFAOYSA-N;136.15;0.53;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNda_SN0";;;;;;;1.17;;-1.13;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM444017;MM444017;CC#CC(O)C1OC1CC;XAGUVVJVPNNUCV-UHFFFAOYSA-N;140.18;0.55;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNa_Nda";;;;;;;0.87;;-1.99;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM444018;MM444018;CCN1CC=C(NC=N)C1;AOKBKZBHJSARET-UHFFFAOYSA-N;139.2;0.4;;;;;DOPC;MDCG;27;1;"MARTINI bead: SNd_SP2";;;;;;;-0.24;;-6.57;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM444019;MM444019;C#CC1=CC(NC)CC1C;JOFQAMMGHVKQIV-UHFFFAOYSA-N;135.21;1.17;;;;;DOPC;MDCG;27;1;"MARTINI bead: SNd_SC4";;;;;;;2.2;;-1.75;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM444020;MM444020;C=C1C(C#N)=NN=C1CO;VREFVZLEQJUCMY-UHFFFAOYSA-N;135.13;-0.13;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNda_SN0";;;;;;;1.17;;-1.13;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM444021;MM444021;CC#CC(C)N1CC1CC;SKJKNKHCZCINET-UHFFFAOYSA-N;137.23;1.49;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP1_Nd";;;;;;;0.04;;-2.63;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM444022;MM444022;C=COC1=CCN(CC)C1;UKQIYEMUXMPVGF-UHFFFAOYSA-N;139.2;1.37;;;;;DOPC;MDCG;27;1;"MARTINI bead: SNd_SNa";;;;;;;0.87;;-2.99;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM444023;MM444023;C#CC1=CC(OC)CC1C;UNGBYBSMFDQJBE-UHFFFAOYSA-N;136.19;1.6;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNa_SC4";;;;;;;2.2;;0.34;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM444024;MM444024;CCC1=NN=C(C#N)C1=O;XRMSTEPZDDHKQO-UHFFFAOYSA-N;135.13;0.3;;;;;DOPC;MDCG;27;0;"MARTINI bead: SN0_SNa";;;;;;;1.17;;-1.18;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM444025;MM444025;N=c1cnc(N)c(F)n1N;QJOSKZIVFNXBMG-UHFFFAOYSA-N;143.13;-1.2;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP1_SP2";;;;;;;-1.06;;-3.82;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM444026;MM444026;C#CCC1=CCC(CC)C1;OLFXKTDPOHAFOQ-UHFFFAOYSA-N;134.22;2.76;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC2_SC4";;;;;;;4.16;;0.44;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM444027;MM444027;C#CC1=CC(OC)CC1N;KOVJULHZBKAAFM-UHFFFAOYSA-N;137.18;0.29;;;;;DOPC;MDCG;27;1;"MARTINI bead: SNa_SNd";;;;;;;0.87;;-3.84;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM444028;MM444028;C=CC1=NN=C(OC)C1=C;UMDFILDWCGFEMK-UHFFFAOYSA-N;136.15;1.14;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNa_SN0";;;;;;;1.17;;-1.18;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM444029;MM444029;CC#CC(C)N1CC1CF;WDHYDVHZENTPRH-UHFFFAOYSA-N;141.19;1.05;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nd_SP1";;;;;;;0.04;;-2.63;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM444030;MM444030;C#CCC1=CCC(CN)C1;OJDQTIHQKWPUNQ-UHFFFAOYSA-N;135.21;1.3;;;;;DOPC;MDCG;27;1;"MARTINI bead: SNd_SC4";;;;;;;2.2;;-2.21;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM444031;MM444031;C#CC1=CC(CC)NC1C;ZORUNWCNNJJLGC-UHFFFAOYSA-N;135.21;1.32;;;;;DOPC;MDCG;27;1;"MARTINI bead: SNd_SP1";;;;;;;0.04;;-5.56;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM444032;MM444032;C=C1C(C#N)=NN=C1OC;QUTGKIGSGVBPQX-UHFFFAOYSA-N;135.13;0.48;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNa_SN0";;;;;;;1.17;;-1.18;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM444033;MM444033;C=CC1CC1C(C)C#CC;BUDPPYDBSRDJRK-UHFFFAOYSA-N;134.22;2.47;;;;;DOPC;MDCG;27;0;"MARTINI bead: C3_SC4";;;;;;;3.9;;0.47;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM444034;MM444034;CC=NN=C(C)OC=NN;KCIXTHBQHDPGEP-UHFFFAOYSA-N;142.16;0.33;;;;;DOPC;MDCG;27;0;"MARTINI bead: C3_P3";;;;;;;0.6;;-0.8;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM444035;MM444035;C#CC1=CC(CN)NC1C;RTLJAAUMRFDFRJ-UHFFFAOYSA-N;136.2;-0.14;;;;;DOPC;MDCG;27;1;"MARTINI bead: SP2_SP1";;;;;;;-1.06;;-6.3;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM444036;MM444036;C#CC1=CC=C(CC)C1=C;PCOWKSBCZVHZMY-UHFFFAOYSA-N;130.19;2.45;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC3_SC5";;;;;;;3.34;;0.48;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM444037;MM444037;CC#CC(C)C1CC1C#N;SJYGDPGLKUJKGO-UHFFFAOYSA-N;133.19;1.81;;;;;DOPC;MDCG;27;0;"MARTINI bead: C3_SN0";;;;;;;2.87;;0.37;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM444038;MM444038;C#CCC1=CCC(CF)C1;AINGOVCHLGUOSE-UHFFFAOYSA-N;138.19;2.32;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC5_SC4";;;;;;;2.97;;0.45;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM444039;MM444039;C#CC1=CC(CO)NC1C;IVPALCZFRFWMIV-UHFFFAOYSA-N;137.18;-0.1;;;;;DOPC;MDCG;27;1;"MARTINI bead: SP1_SP1";;;;;;;-0.79;;-5.33;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM444040;MM444040;CC#CC(O)C1CC1C#N;SCWYNTIKURDFQT-UHFFFAOYSA-N;135.17;0.53;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda_SN0";;;;;;;1.17;;-1.13;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM444041;MM444041;C#CC1=CC=C(CN)C1=C;IYXWWOZFEZRWJR-UHFFFAOYSA-N;131.18;1;;;;;DOPC;MDCG;27;1;"MARTINI bead: SNd_SC5";;;;;;;1.64;;-2.07;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM444042;MM444042;C#CCC1=CCC(NC)C1;OMWGGVFZADNQNX-UHFFFAOYSA-N;135.21;1.32;;;;;DOPC;MDCG;27;1;"MARTINI bead: SNd_SC4";;;;;;;2.2;;-2.4;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM444043;MM444043;C#CC1=CC(CC)OC1C;MMKSJMSTFDMNEM-UHFFFAOYSA-N;136.19;1.74;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNa_SN0";;;;;;;1.17;;-1.18;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM444044;MM444044;C#CC#CC(=O)CN1CC1;AMICEXARFBXBIM-UHFFFAOYSA-N;133.15;-0.49;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_SP1";;;;;;;0.04;;-2.54;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM444045;MM444045;CCC(=NOC=O)NC;JSYNZHRWZJBATQ-UHFFFAOYSA-N;130.15;0.1;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_P2";;;;;;;0.54;;-1.09;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM444046;MM444046;C#CCC1=CCC(OC)C1;UABJYBWBQORBPN-UHFFFAOYSA-N;136.19;1.74;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC5_SC4";;;;;;;2.97;;0.45;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM444047;MM444047;C#CC1=NN(CC)CC1C;DVXXSRGZCBSVRT-UHFFFAOYSA-N;136.2;0.95;;;;;DOPC;MDCG;27;0;"MARTINI bead: SN0_SP1";;;;;;;0.34;;-1.53;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM444048;MM444048;CC#CC(C)C1NC1C#N;LXODPMXABNEVOU-UHFFFAOYSA-N;134.18;0.51;;;;;DOPC;MDCG;27;0;"MARTINI bead: C3_SP2";;;;;;;1.46;;-0.15;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM444049;MM444049;C#CC1=CC=C(CF)C1=C;RORWXPDDHKVFLQ-UHFFFAOYSA-N;134.15;2.01;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC5_SC5";;;;;;;2.41;;0.64;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM444050;MM444050;C#CCC1=COC(CC)C1;XHHDPASIZZFAIF-UHFFFAOYSA-N;136.19;2.09;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC5_SN0";;;;;;;1.94;;0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM444051;MM444051;C#CC1=CC(C=C)CC1C;JEHQPBIPQPCFEN-UHFFFAOYSA-N;132.21;2.39;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC4_SC4";;;;;;;3.53;;0.53;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM444052;MM444052;C=CC1NC1C(F)C#CC;KNXVHQAGTMLIMG-UHFFFAOYSA-N;139.17;0.87;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_SP1";;;;;;;0.81;;-0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM444053;MM444053;C#CC1=CC=C(CC)C1=O;XNDWZWADZVQANV-UHFFFAOYSA-N;132.16;1.47;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC3_SNa";;;;;;;2.57;;0.45;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM444054;MM444054;C#CCC1=COC(CN)C1;BTPGFKPZDUQWEP-UHFFFAOYSA-N;137.18;0.64;;;;;DOPC;MDCG;27;1;"MARTINI bead: SP1_SN0";;;;;;;0.34;;-3.59;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM444055;MM444055;C#CC1=CC(C=O)CC1C;NVUPNVNLWALSIJ-UHFFFAOYSA-N;134.18;1.4;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNa_SC4";;;;;;;2.2;;0.34;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM444056;MM444056;CC#CC(C)C1OC1C=O;APNMIZRKEKPYFE-UHFFFAOYSA-N;138.17;0.61;;;;;DOPC;MDCG;27;0;"MARTINI bead: C3_SP2";;;;;;;1.46;;-0.15;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM444057;MM444057;C#CC1=CC=C(OC)C1=C;BLGMGBBFGDOLBR-UHFFFAOYSA-N;132.16;1.65;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC5_SC5";;;;;;;2.41;;0.64;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM444058;MM444058;C#CCC1=COC(CO)C1;KYEKBFNUQHXOJM-UHFFFAOYSA-N;138.17;0.67;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNda_SN0";;;;;;;1.17;;-1.13;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM444059;MM444059;C#CC1=CC(C#N)CC1C;KALAUUHSCIETAL-UHFFFAOYSA-N;131.18;1.73;;;;;DOPC;MDCG;27;0;"MARTINI bead: SN0_SC4";;;;;;;2.5;;0.44;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM444060;MM444060;CC#CC(O)C1CN1C=O;SSLUGLWPGQWOKC-UHFFFAOYSA-N;139.15;-0.79;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda_SP2";;;;;;;-0.24;;-3.31;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM444061;MM444061;C#CC1=NN=C(CC)C1=C;HRDYGENQUKSZMR-UHFFFAOYSA-N;132.17;1.4;;;;;DOPC;MDCG;27;0;"MARTINI bead: SN0_SN0";;;;;;;1.47;;-0.05;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM444062;MM444062;C#CCC1=COC(CF)C1;NMSHRRFIHLHSSP-UHFFFAOYSA-N;140.16;1.65;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNa_SN0";;;;;;;1.17;;-1.18;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM444063;MM444063;C#CC1=CC(C=C)CC1N;DFIGFFLLDBCHPY-UHFFFAOYSA-N;133.19;1.08;;;;;DOPC;MDCG;27;1;"MARTINI bead: SC4_SNd";;;;;;;2.2;;-1.46;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM444064;MM444064;CC#CC(F)C1CN1C=N;WATRDOQHFHIIKD-UHFFFAOYSA-N;140.16;0.64;;;;;DOPC;MDCG;27;1;"MARTINI bead: C5_SP2";;;;;;;0.54;;-3.26;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM444065;MM444065;C#CC1=NN=C(CO)C1=C;KCNOJNWUPHELRZ-UHFFFAOYSA-N;134.14;-0.02;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNda_SN0";;;;;;;1.17;;-1.13;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM444066;MM444066;C#CCC1=COC(OC)C1;PTPOARNNLKBOGR-UHFFFAOYSA-N;138.17;1.29;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNa_SN0";;;;;;;1.17;;-1.18;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM444067;MM444067;C#CC1=CC(C=C)NC1C;XNDUBBIZXFCNLD-UHFFFAOYSA-N;133.19;1.09;;;;;DOPC;MDCG;27;1;"MARTINI bead: SNd_SP1";;;;;;;0.04;;-4.76;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM444068;MM444068;C=NN1CC1C(C)C#CC;UVSSDBOZJGEKNO-UHFFFAOYSA-N;136.2;0.95;;;;;DOPC;MDCG;27;0;"MARTINI bead: C3_SP2";;;;;;;1.46;;-0.15;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM444069;MM444069;C#CC1=NN=C(CF)C1=C;ZYNMCBSCCVTKJK-UHFFFAOYSA-N;136.13;0.96;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNa_SN0";;;;;;;1.17;;-1.18;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM444070;MM444070;C#CCC1=NNC(CC)C1;ZFJPVMNJEFWBLM-UHFFFAOYSA-N;136.2;1.14;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNd_SP1";;;;;;;0.04;;-2.63;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM444071;MM444071;C#CC1=CC(C#N)NC1C;WZDUVHTUGUHQKC-UHFFFAOYSA-N;132.17;0.43;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP1_SP1";;;;;;;-0.79;;-3.13;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM444072;MM444072;C=CC1CN1C(C)C#CC;LGKWNXJFXKXDMT-UHFFFAOYSA-N;135.21;1.27;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nd_SP1";;;;;;;0.04;;-2.63;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM444073;MM444073;C#CC1=NN=C(CC)C1=O;FQSXCLXVGSIVEC-UHFFFAOYSA-N;134.14;0.41;;;;;DOPC;MDCG;27;0;"MARTINI bead: SN0_SNa";;;;;;;1.17;;-1.18;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM444074;MM444074;C#CCC1=NNC(CN)C1;PSZHAMWLDYLRSC-UHFFFAOYSA-N;137.19;-0.31;;;;;DOPC;MDCG;27;1;"MARTINI bead: SP1_SP1";;;;;;;-0.79;;-4.76;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM444075;MM444075;C#CC1=CC(C#N)OC1C;LNIFTIDMTSBZCT-UHFFFAOYSA-N;133.15;0.86;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNa_SN0";;;;;;;1.17;;-1.18;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM444076;MM444076;CCC=NNC(C#N)CF;UYFCPOXPLBAHTR-UHFFFAOYSA-N;143.17;0.83;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nd_Na";;;;;;;0.87;;-1.88;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM444077;MM444077;C#CC1=NN=C(OC)C1=C;BNCRVAHBHJXKNI-UHFFFAOYSA-N;134.14;0.59;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNa_SN0";;;;;;;1.17;;-1.18;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM444078;MM444078;C=C(OC=NN)N(C)C=O;OGQSSFXQUGVRMJ-UHFFFAOYSA-N;143.15;-0.54;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_Nda";;;;;;;-0.24;;-3.31;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM444079;MM444079;C#CC1=CN(C=N)CC1C;CMLZYFGICDYSRC-UHFFFAOYSA-N;134.18;1.06;;;;;DOPC;MDCG;27;1;"MARTINI bead: SP1_SP1";;;;;;;-0.79;;-5.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM444080;MM444080;CC#CC(C)N1CC1C#N;PQSGYEQGBVTROM-UHFFFAOYSA-N;134.18;0.61;;;;;DOPC;MDCG;27;0;"MARTINI bead: C3_SP2";;;;;;;1.46;;-0.15;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM444081;MM444081;C=CC1=CC=C(C=C)C1=C;DVOILAXECMZSBY-UHFFFAOYSA-N;130.19;2.78;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC3_SC4";;;;;;;3.9;;0.47;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM444082;MM444082;C#CCC1=NOC(CC)C1;MBFKIJURPOPSNF-UHFFFAOYSA-N;137.18;1.56;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC5_SN0";;;;;;;1.94;;0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM444083;MM444083;C#CC1=CN(C=O)CC1C;ASLGJXCNRFSTGA-UHFFFAOYSA-N;135.17;0.61;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP1_SP1";;;;;;;-0.79;;-3.13;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM444084;MM444084;C#CC1CC1C(N)C#CC;BNZXTMWSPCGREQ-UHFFFAOYSA-N;133.19;0.61;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_SC5";;;;;;;1.64;;-1.68;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM444085;MM444085;C=CC1=CC=C(C#N)C1=C;HGVLLIGKQDXDJU-UHFFFAOYSA-N;129.16;2.12;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC4_SC5";;;;;;;2.97;;0.45;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM444086;MM444086;C#CCC1=NOC(CN)C1;CQDTTWZIRQXUGK-UHFFFAOYSA-N;138.17;0.11;;;;;DOPC;MDCG;27;1;"MARTINI bead: SP1_SN0";;;;;;;0.34;;-3.02;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM444087;MM444087;C#CC1=CN(C=N)CC1N;KLWKKCNXSUULEQ-UHFFFAOYSA-N;135.17;-0.25;;;;;DOPC;MDCG;27;1;"MARTINI bead: SP1_SP2";;;;;;;-1.06;;-6.16;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM444088;MM444088;C#CC1CC1C(O)C#CC;PVRHHGAXNIOQBS-UHFFFAOYSA-N;134.18;0.64;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda_SC5";;;;;;;1.64;;0.05;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM444089;MM444089;C=C1C(C=O)=CC=C1C=O;GDBLIFWSBIQPBY-UHFFFAOYSA-N;134.13;0.81;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNa_SNa";;;;;;;0.87;;-2.22;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM444090;MM444090;CN(C=O)C(=N)OC=NN;WZJKCPGPSZRVRF-UHFFFAOYSA-N;144.13;-1.07;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_P2";;;;;;;-1.34;;-4.31;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM444091;MM444091;C#CC1=CN(C=N)CC1O;UYIDZTRAQWFCCN-UHFFFAOYSA-N;136.15;-0.21;;;;;DOPC;MDCG;27;1;"MARTINI bead: SP1_SP2";;;;;;;-1.06;;-5.8;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM444092;MM444092;C#CC1NC1C(C)C#CC;ZUUIPAGUXOJOJX-UHFFFAOYSA-N;133.19;0.62;;;;;DOPC;MDCG;27;0;"MARTINI bead: C3_SP3";;;;;;;0.6;;-0.8;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM444093;MM444093;C=C1C(C#N)=CC=C1C=O;AAJJCUAESUDHDB-UHFFFAOYSA-N;131.13;1.13;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNa_SC5";;;;;;;1.64;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM444094;MM444094;C#CCC1=NOC(OC)C1;UVOCYDIOQPQBDH-UHFFFAOYSA-N;139.15;0.76;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNa_SN0";;;;;;;1.17;;-1.18;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM444095;MM444095;C#CC1=CN(C=N)NC1C;FUKJQDHWENWYKE-UHFFFAOYSA-N;135.17;0.32;;;;;DOPC;MDCG;27;1;"MARTINI bead: SP3_SP2";;;;;;;-2.2;;-6.82;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM444096;MM444096;C#CC1OC1C(C)C#CC;IIHAVMQLZZAYRB-UHFFFAOYSA-N;134.18;1.05;;;;;DOPC;MDCG;27;0;"MARTINI bead: C3_SNa";;;;;;;2.57;;0.45;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM444097;MM444097;C=C1C(C#N)=CC=C1C#N;UHIWIFFOSARAQD-UHFFFAOYSA-N;128.13;1.46;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC5_SN0";;;;;;;1.94;;0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM444098;MM444098;C#CCC1=CCC(CN)O1;XBTTWFCSRWHAPM-UHFFFAOYSA-N;137.18;0.64;;;;;DOPC;MDCG;27;1;"MARTINI bead: SP1_SNa";;;;;;;0.04;;-4.59;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM444099;MM444099;C#CC1=CN(C=O)NC1C;GEWNZJQBPBMTQV-UHFFFAOYSA-N;136.15;-0.13;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP2_SP2";;;;;;;-1.34;;-4.31;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM444100;MM444100;C#CC1CN1C(C)C#CC;QIADZIINPUWZOU-UHFFFAOYSA-N;133.19;0.72;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nd_SP3";;;;;;;-1.1;;-3.93;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM444101;MM444101;N#CC1=CC=C(C=O)C1=O;GILNOWRXVUWGIB-UHFFFAOYSA-N;133.11;0.14;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNa_SNa";;;;;;;0.87;;-2.22;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM444102;MM444102;C#CCC1=CCC(CO)O1;AUDDFGWBJODPHU-UHFFFAOYSA-N;138.17;0.67;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNda_SNa";;;;;;;0.87;;-1.99;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM444103;MM444103;C#CC1=CN(C=O)OC1C;QNQIEIOSHDCLAW-UHFFFAOYSA-N;137.14;0.3;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP2_SP1";;;;;;;-1.06;;-3.82;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM444104;MM444104;C=C(C#CC)C1CC1CC;XZLJHTHZZOROTI-UHFFFAOYSA-N;134.22;2.61;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC3_C3";;;;;;;4.27;;0.2;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM444105;MM444105;N#CC1=CC=C(C#N)C1=O;WEMNOONNVXESMJ-UHFFFAOYSA-N;130.11;0.47;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNa_SN0";;;;;;;1.17;;-1.18;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM444106;MM444106;C#CCC1=CCC(CF)O1;MOBIUGYUEKFFFC-UHFFFAOYSA-N;140.16;1.65;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNa_SNa";;;;;;;0.87;;-2.22;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM444107;MM444107;C#CC1=NN(C=N)CC1C;AJROXXXBSXDCEK-UHFFFAOYSA-N;135.17;0.53;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP2_SP1";;;;;;;-1.06;;-3.82;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM444108;MM444108;C=C(C#CC)C1CC1CN;JCPMCBLNQVWHPJ-UHFFFAOYSA-N;135.21;1.16;;;;;DOPC;MDCG;27;1;"MARTINI bead: C3_SNd";;;;;;;2.57;;-1.51;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM444109;MM444109;C=CC1=NC=C(C=O)C1=C;CBHLYOACMFIVMP-UHFFFAOYSA-N;133.15;1.27;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC5_SNa";;;;;;;1.64;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM444110;MM444110;C#CCC1=CCC(OC)O1;DKLWGXNSSKNSJT-UHFFFAOYSA-N;138.17;1.29;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNa_SNa";;;;;;;0.87;;-2.22;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM444111;MM444111;C#CC1=NN(C=O)CC1C;OHWCESFFHWVFSA-UHFFFAOYSA-N;136.15;0.08;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP2_SP1";;;;;;;-1.06;;-3.82;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM444112;MM444112;C#CC(=NC)NN=CC=C;ADSTUHZCZHICRY-UHFFFAOYSA-N;135.17;0.41;;;;;DOPC;MDCG;27;0;"MARTINI bead: N0_Nd";;;;;;;1.17;;-1.04;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM444113;MM444113;C=CC1=NC=C(C#N)C1=C;LYJCOQZSCONLGM-UHFFFAOYSA-N;130.15;1.59;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC5_SN0";;;;;;;1.94;;0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM444114;MM444114;C#CCC1=COC(CC)O1;BPQYMWMNYHEGBD-UHFFFAOYSA-N;138.17;1.63;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNa_SNa";;;;;;;0.87;;-2.22;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM444115;MM444115;C#CC1=CC(C#C)CC1C;PRESAWWNKZVFKR-UHFFFAOYSA-N;130.19;1.84;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC5_SC4";;;;;;;2.97;;0.45;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM444116;MM444116;C=C(C#CC)C1CC1CF;DAMHHCFJZRTWMG-UHFFFAOYSA-N;138.19;2.17;;;;;DOPC;MDCG;27;0;"MARTINI bead: C3_SC5";;;;;;;3.34;;0.48;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM444117;MM444117;C=C1C(C=O)=CN=C1C=O;UPTHFNYTKVPNHD-UHFFFAOYSA-N;135.12;0.28;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNa_SNa";;;;;;;0.87;;-2.22;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM444118;MM444118;C#CCC1=COC(CF)O1;GLRUJTMZKUBKST-UHFFFAOYSA-N;142.13;1.19;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNa_SNa";;;;;;;0.87;;-2.22;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM444119;MM444119;C#CC1=CC(C#C)CC1N;HODRDGILMJTWQJ-UHFFFAOYSA-N;131.18;0.53;;;;;DOPC;MDCG;27;1;"MARTINI bead: SC5_SNd";;;;;;;1.64;;-1.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM444120;MM444120;C=C(C#CC)C1CC1NC;BSFPGHKRDXOREK-UHFFFAOYSA-N;135.21;1.17;;;;;DOPC;MDCG;27;1;"MARTINI bead: SNd_C3";;;;;;;2.57;;-1.31;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM444121;MM444121;C=C1C(C#N)=CN=C1C=O;GDADCFSTLJFKFW-UHFFFAOYSA-N;132.12;0.6;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNa_SN0";;;;;;;1.17;;-1.18;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM444122;MM444122;C#CCC1=NOC(CO)O1;RAWZUQLJIHVRNC-UHFFFAOYSA-N;141.13;-0.31;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP2_SNa";;;;;;;-0.24;;-3.24;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM444123;MM444123;C#CC1=CC(C#C)NC1C;ANHSBUWYKHBOQP-UHFFFAOYSA-N;131.18;0.54;;;;;DOPC;MDCG;27;1;"MARTINI bead: SP1_SP1";;;;;;;-0.79;;-4.7;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM444124;MM444124;C=C(C#CC)C1CC1OC;KJMXGAOESTYETM-UHFFFAOYSA-N;136.19;1.6;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNa_C3";;;;;;;2.57;;0.45;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM444125;MM444125;C=C1C(C#N)=CN=C1C#N;CQWKVJHHLIQVMF-UHFFFAOYSA-N;129.12;0.93;;;;;DOPC;MDCG;27;0;"MARTINI bead: SN0_SP1";;;;;;;0.34;;-1.53;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM444126;MM444126;C#CCC1=CCN(CC)C1;ALHAFGUCICKCQQ-UHFFFAOYSA-N;135.21;1.27;;;;;DOPC;MDCG;27;1;"MARTINI bead: SNd_SP1";;;;;;;0.04;;-4.69;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM444127;MM444127;C#CC1=CC(C#C)OC1C;FCQBIIBJHYAZIX-UHFFFAOYSA-N;132.16;0.97;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNa_SN0";;;;;;;1.17;;-1.18;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM444128;MM444128;C=C(C#CC)C1NC1CN;JBNXNFRYRVJXJM-UHFFFAOYSA-N;136.2;-0.14;;;;;DOPC;MDCG;27;1;"MARTINI bead: C4_SP2";;;;;;;1.09;;-2.27;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM444129;MM444129;N#CC1=CN=C(C#N)C1=O;PJCNKWQFGNOXGJ-UHFFFAOYSA-N;131.09;-0.06;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNa_SP1";;;;;;;0.04;;-2.54;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM444130;MM444130;C=CC1CC=C(CCC)C1;JIXOYEWLFYDKAM-UHFFFAOYSA-N;136.24;3.31;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC1_SC3";;;;;;;4.61;;0.31;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM444131;MM444131;CCn1nc(CO)c(=O)o1;HBCWGFMHTXMFBG-UHFFFAOYSA-N;144.13;-0.65;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP2_SP2";;;;;;;-1.34;;-4.31;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM444132;MM444132;C=C(C#CC)C1OC1CF;WAEVBFBPUPZZFY-UHFFFAOYSA-N;140.16;1.3;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4_SNa";;;;;;;2.2;;0.34;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM444133;MM444133;C=CC1=NN=C(C=C)C1=C;XAQABGUEDRLUMC-UHFFFAOYSA-N;132.17;1.73;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC5_SN0";;;;;;;1.94;;0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM444134;MM444134;C=CC1CC=C(CCN)C1;UNGOUQWXQBLFOZ-UHFFFAOYSA-N;137.23;1.86;;;;;DOPC;MDCG;27;1;"MARTINI bead: SNd_SC3";;;;;;;2.57;;-1.48;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM444135;MM444135;CCn1nc(CF)c(=O)o1;MPWVJDKDPMTXIR-UHFFFAOYSA-N;146.12;0.33;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP2_SP2";;;;;;;-1.34;;-4.31;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM444136;MM444136;CC#CC(=O)C1CN1CC;GUCUAOKBFCDHCD-UHFFFAOYSA-N;137.18;0.28;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNd_C5";;;;;;;1.64;;0.02;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM444137;MM444137;C=CC1=NN=C(C#N)C1=C;ULWDUOALWLFHKJ-UHFFFAOYSA-N;131.14;1.06;;;;;DOPC;MDCG;27;0;"MARTINI bead: SN0_SN0";;;;;;;1.47;;-0.05;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM444138;MM444138;CCCC1=CCC(C=O)C1;LYDVKRSPYSBKKK-UHFFFAOYSA-N;138.21;2.32;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC1_SNa";;;;;;;2.91;;0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM444139;MM444139;CCn1nc(OC)c(=O)o1;KPTUCVSGMDQCJK-UHFFFAOYSA-N;144.13;-0.14;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP1_SP2";;;;;;;-1.06;;-3.82;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM444140;MM444140;CC#CC(=N)N1CC1CC;USBMTXRJMQCGCB-UHFFFAOYSA-N;136.2;1.08;;;;;DOPC;MDCG;27;1;"MARTINI bead: SP1_P1";;;;;;;-0.79;;-4.77;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM444141;MM444141;C=C1C(C=O)=NN=C1C=O;DWIFPDOCIKQZRM-UHFFFAOYSA-N;136.11;-0.25;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNa_SNa";;;;;;;0.87;;-2.22;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM444142;MM444142;CCCC1=CCC(C#N)C1;ILROXCFBVCHNBX-UHFFFAOYSA-N;135.21;2.65;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC1_SN0";;;;;;;3.21;;0.46;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM444143;MM444143;C=C1CN(C=N)C=C1CC;HGNLMRWJGGLNGM-UHFFFAOYSA-N;136.2;1.76;;;;;DOPC;MDCG;27;1;"MARTINI bead: SN0_SP1";;;;;;;0.34;;-4.25;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM444144;MM444144;C=CC1CC1C(=C)C#CC;HTPJETBBBJRKRY-UHFFFAOYSA-N;132.21;2.39;;;;;DOPC;MDCG;27;0;"MARTINI bead: C3_SC4";;;;;;;3.9;;0.47;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM444145;MM444145;C=C1C(C#N)=NN=C1C=O;BISIAVMGCBTVGS-UHFFFAOYSA-N;133.11;0.08;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNa_SN0";;;;;;;1.17;;-1.18;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM444146;MM444146;C=CC1CC=C(OCC)C1;GWGDKTTWZKAJEP-UHFFFAOYSA-N;138.21;2.5;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC4_SC3";;;;;;;3.9;;0.47;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM444147;MM444147;C=C1CN(C=O)C=C1CC;BNNNLCBXDBZERR-UHFFFAOYSA-N;137.18;1.31;;;;;DOPC;MDCG;27;0;"MARTINI bead: SN0_SP1";;;;;;;0.34;;-1.53;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM444148;MM444148;C=C(C#CC)C1CC1C=O;BCUNEWINMNRRNT-UHFFFAOYSA-N;134.18;1.4;;;;;DOPC;MDCG;27;0;"MARTINI bead: C3_SNa";;;;;;;2.57;;0.45;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM444149;MM444149;C=C1C(C#N)=NN=C1C#N;PJBDFPOUNBBRHN-UHFFFAOYSA-N;130.11;0.4;;;;;DOPC;MDCG;27;0;"MARTINI bead: SN0_SN0";;;;;;;1.47;;-0.05;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM444150;MM444150;CCOC1=CCC(C#N)C1;ZNKMNVGSCJUYJH-UHFFFAOYSA-N;137.18;1.84;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC4_SN0";;;;;;;2.5;;0.44;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM444151;MM444151;C=C1CN(C=N)N=C1CC;ZIZGXGBONOFEIH-UHFFFAOYSA-N;137.19;1.23;;;;;DOPC;MDCG;27;0;"MARTINI bead: SN0_SP2";;;;;;;0.06;;-2.21;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM444152;MM444152;C=C(C#CC)C1CC1C#N;RSJMICVLMFYHMY-UHFFFAOYSA-N;131.18;1.73;;;;;DOPC;MDCG;27;0;"MARTINI bead: C3_SN0";;;;;;;2.87;;0.37;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM444153;MM444153;N#CC1=NN=C(C=O)C1=O;VMYBLTOHPCJPDL-UHFFFAOYSA-N;135.08;-0.91;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNa_SNa";;;;;;;0.87;;-2.22;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM444154;MM444154;C=CC1CC(CCC)=CO1;DYYCXVROEGXMSW-UHFFFAOYSA-N;138.21;2.65;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC4_SC5";;;;;;;2.97;;0.45;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM444155;MM444155;C=C1CN(C=O)N=C1CC;BQSRCQMSMMOUKO-UHFFFAOYSA-N;138.17;0.78;;;;;DOPC;MDCG;27;0;"MARTINI bead: SN0_SP2";;;;;;;0.06;;-2.21;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM444156;MM444156;CC#CC(=O)C1CC1C=O;DQJLGVGKNRWGRG-UHFFFAOYSA-N;136.15;0.41;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_SNa";;;;;;;0.87;;-2.22;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM444157;MM444157;C#CC1=CC=C(C=C)C1=C;RDJQPVKPZQEJSG-UHFFFAOYSA-N;128.17;2.23;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC4_SC5";;;;;;;2.97;;0.45;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM444158;MM444158;C=CC1CC(CCN)=CO1;OIJCIVFEWFHXBJ-UHFFFAOYSA-N;139.2;1.19;;;;;DOPC;MDCG;27;1;"MARTINI bead: SP1_SC5";;;;;;;0.81;;-3.23;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM444159;MM444159;C=Cn1nc(CC)c(=O)o1;RKILXXKKMPMQPB-UHFFFAOYSA-N;140.14;0.5;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNa_SP2";;;;;;;-0.24;;-3.24;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM444160;MM444160;C=CC1NC1C(=C)C#CC;GMFFOOFLPLXJKP-UHFFFAOYSA-N;133.19;1.09;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4_SP1";;;;;;;1.37;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM444161;MM444161;C#CC1=CC=C(C=O)C1=C;WARJARUKWYWLRI-UHFFFAOYSA-N;130.15;1.24;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNa_SC5";;;;;;;1.64;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM444162;MM444162;CCCC1=COC(C=O)C1;QGSXPAUHAJWNLY-UHFFFAOYSA-N;140.18;1.66;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC4_SNa";;;;;;;2.2;;0.34;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM444163;MM444163;CCc1nn(C=N)oc1=O;RUEXNOXREQABQE-UHFFFAOYSA-N;141.13;-0.15;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNa_SP3";;;;;;;-1.1;;-4.2;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM444164;MM444164;C=C(C#CC)C1NC1C#N;IBAAVTVYMQBDFC-UHFFFAOYSA-N;132.17;0.43;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4_SP2";;;;;;;1.09;;-0.38;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM444165;MM444165;C#CC1=NC=C(C#N)C1=C;RTIPTFWECHGGLJ-UHFFFAOYSA-N;128.13;1.04;;;;;DOPC;MDCG;27;0;"MARTINI bead: SN0_SN0";;;;;;;1.47;;-0.05;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM444166;MM444166;CCCC1=COC(C#N)C1;NKYMDYILPLAAAP-UHFFFAOYSA-N;137.18;1.98;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC4_SNa";;;;;;;2.2;;0.34;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM444167;MM444167;CCc1nn(C=O)oc1=O;KKQFNZRGJSEVIS-UHFFFAOYSA-N;142.11;-0.56;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNa_SP2";;;;;;;-0.24;;-3.24;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM444168;MM444168;C=CC1OC1C(=C)C#CC;SAJYXHBYYOOYGQ-UHFFFAOYSA-N;134.18;1.52;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4_SNa";;;;;;;2.2;;0.34;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM444169;MM444169;C#CC1=NC=C(C=O)C1=O;UXLNNJQXZSJRIM-UHFFFAOYSA-N;133.11;-0.27;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP1_SN0";;;;;;;0.34;;-1.53;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM444170;MM444170;N=C(OC=NN)N(N)C=O;OXJYSNCQVGDDPS-UHFFFAOYSA-N;145.12;-1.83;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_P2";;;;;;;-1.34;;-4.31;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM444171;MM444171;C=Cn1nc(CO)c(=O)o1;RWCAZODPKINXGP-UHFFFAOYSA-N;142.11;-0.57;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP2_SP2";;;;;;;-1.34;;-4.31;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM444172;MM444172;C=C(C#CC)C1OC1C=O;NYEPTONCTDIUHW-UHFFFAOYSA-N;136.15;0.53;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4_SP2";;;;;;;1.09;;-0.38;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM444173;MM444173;C#CC1=NC=C(C#N)C1=O;DNDYGGXUASOMPT-UHFFFAOYSA-N;130.11;0.05;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNa_SN0";;;;;;;1.17;;-1.18;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM444174;MM444174;CN(C=N)C(=O)OC=NN;UIDHAJHNLJNNOA-UHFFFAOYSA-N;144.13;-0.44;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_P1";;;;;;;-1.06;;-3.82;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM444175;MM444175;C=NOCCC#CC=O;NJLWCNFCPRENNA-UHFFFAOYSA-N;125.13;0.21;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_C5";;;;;;;0.81;;-0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM444176;MM444176;C=C(C#CC)C1OC1C#N;RMJBDHBZPAGUBL-UHFFFAOYSA-N;133.15;0.86;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4_SP1";;;;;;;1.37;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM444177;MM444177;C#CC1=CN=C(C=O)C1=O;ASWVPRKQPMNZQY-UHFFFAOYSA-N;133.11;-0.27;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNa_SNa";;;;;;;0.87;;-2.22;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM444178;MM444178;O=Cn1nc(CO)c(=O)o1;KGPVMBZSOKVWRJ-UHFFFAOYSA-N;144.09;-1.63;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP2_SP2";;;;;;;-1.34;;-4.31;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM444179;MM444179;C=CC1CC(CCC)=NO1;JNGKOEBRJBKNQX-UHFFFAOYSA-N;139.2;2.12;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC5_SNa";;;;;;;1.64;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM444180;MM444180;C=C(C#CC)C1CN1C=N;XWGATFXIIDISIT-UHFFFAOYSA-N;134.18;0.86;;;;;DOPC;MDCG;27;1;"MARTINI bead: C4_SP2";;;;;;;1.09;;-2.68;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM444181;MM444181;C#CC1=CN=C(C#N)C1=O;UJPONFPZZGZPJE-UHFFFAOYSA-N;130.11;0.05;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNa_SP1";;;;;;;0.04;;-2.54;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM444182;MM444182;C=Cn1nc(CF)c(=O)o1;BRBSGLJZOMTRLT-UHFFFAOYSA-N;144.11;0.41;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP2_SP2";;;;;;;-1.34;;-4.31;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM444183;MM444183;CN(C=O)C(=O)OC=NN;PIUDUMSCHHSOJA-UHFFFAOYSA-N;145.12;-0.89;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_P1";;;;;;;-0.79;;-3.13;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM444184;MM444184;CC#CC(=O)C1CN1C=N;FXJFCAROBPGFDG-UHFFFAOYSA-N;136.15;-0.13;;;;;DOPC;MDCG;27;1;"MARTINI bead: C5_SP2";;;;;;;0.54;;-2.42;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM444185;MM444185;C#CC1=NN=C(C=C)C1=C;BKICZFDTCMXTQQ-UHFFFAOYSA-N;130.15;1.17;;;;;DOPC;MDCG;27;0;"MARTINI bead: SN0_SN0";;;;;;;1.47;;-0.05;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM444186;MM444186;CC=NNC=NOCC;ABWOHXMTRGBWOS-UHFFFAOYSA-N;129.16;0.56;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_Nd";;;;;;;0.87;;-1.88;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM444187;MM444187;CCCC1=NOC(C#N)C1;MPESYEXRHUVKHQ-UHFFFAOYSA-N;138.17;1.45;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC5_SP1";;;;;;;0.81;;-0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM444188;MM444188;C=CC1CN=C(NN=C)C1;LPQYNXYAQSIOLF-UHFFFAOYSA-N;137.19;0.8;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC5_SNd";;;;;;;1.64;;0.03;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM444189;MM444189;C#CC1=NN=C(C=O)C1=C;ZNHCZLMDXRDTSM-UHFFFAOYSA-N;132.12;0.19;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNa_SN0";;;;;;;1.17;;-1.18;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM444190;MM444190;O=Cn1nc(CF)c(=O)o1;CWIBQWSPTNXTFW-UHFFFAOYSA-N;146.08;-0.66;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP2_SP3";;;;;;;-2.2;;-5.19;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM444191;MM444191;CCCC1=NC(C=O)CN1;QVBIUPUMRAYPFW-UHFFFAOYSA-N;140.19;0.36;;;;;DOPC;MDCG;27;1;"MARTINI bead: SC5_SP2";;;;;;;0.54;;-2.59;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM444192;MM444192;C=NN1CC1C(=C)C#CC;FJMQKFGTQGVQTP-UHFFFAOYSA-N;134.18;0.87;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4_SP2";;;;;;;1.09;;-0.38;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM444193;MM444193;C#CC1=NN=C(C=O)C1=O;GFQZVUICUMCLQO-UHFFFAOYSA-N;134.09;-0.8;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNa_SNa";;;;;;;0.87;;-2.22;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM444194;MM444194;COc1nn(C=O)oc1=O;RWVNLDWMJQAAMJ-UHFFFAOYSA-N;144.09;-1.12;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP1_SP2";;;;;;;-1.06;;-3.82;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM444195;MM444195;C=CC1OC=C(CCC)O1;JWFPIPVWPZECRG-UHFFFAOYSA-N;140.18;2.19;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNa_SNa";;;;;;;0.87;;-2.22;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM444196;MM444196;C=NNC1=NC(=CC)C=C1;SANZUBOMFQOKSJ-UHFFFAOYSA-N;135.17;1.06;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC5_SNd";;;;;;;1.64;;0.02;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM444197;MM444197;C#CC1=CC=C(C#C)C1=C;MVBYFWXVWOJXIV-UHFFFAOYSA-N;126.16;1.68;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC5_SC5";;;;;;;2.41;;0.64;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM444198;MM444198;C=CC1=CC(CN)CC1=C;HKCXSBJYQPQALD-UHFFFAOYSA-N;135.21;1.63;;;;;DOPC;MDCG;27;1;"MARTINI bead: SNd_SC3";;;;;;;2.57;;-1.48;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM444199;MM444199;CCCC1=COC(C#N)O1;BXPXDIXCLDZNPW-UHFFFAOYSA-N;139.15;1.52;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNa_SNa";;;;;;;0.87;;-2.22;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM444200;MM444200;C#CC1CC1C(=C)C#CC;KMFSJTULAVKTJT-UHFFFAOYSA-N;130.19;1.84;;;;;DOPC;MDCG;27;0;"MARTINI bead: C3_SC5";;;;;;;3.34;;0.48;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM444201;MM444201;C#CC1=CC=C(C#C)C1=O;ZBOKPAFCDPOLFI-UHFFFAOYSA-N;128.13;0.69;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNa_SC5";;;;;;;1.64;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM444202;MM444202;C=NN=CC(F)C1CN1;VZJSSGZTWZIFEI-UHFFFAOYSA-N;129.14;-0.02;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_SP2";;;;;;;-0.24;;-3.24;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM444203;MM444203;CCCC1=CCN(C=N)C1;HQNIWUTVXXKLGU-UHFFFAOYSA-N;138.21;1.64;;;;;DOPC;MDCG;27;1;"MARTINI bead: SN0_SP1";;;;;;;0.34;;-4.79;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM444204;MM444204;C#CC1CC1C(=O)C#CC;MOYNDKHUVYNPEF-UHFFFAOYSA-N;132.16;0.85;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_SC5";;;;;;;1.64;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM444205;MM444205;C#CC1=CN=C(C#C)C1=O;PMYPLGYGRYABPC-UHFFFAOYSA-N;129.12;0.16;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNa_SN0";;;;;;;1.17;;-1.18;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM444206;MM444206;C=CC1=CC(CF)CC1=C;POHQFAXTWJAIJC-UHFFFAOYSA-N;138.19;2.64;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC5_SC3";;;;;;;3.34;;0.48;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM444207;MM444207;N=CN1CC=C(CCN)C1;NQUXCRMCFHNJMP-UHFFFAOYSA-N;139.2;0.18;;;;;DOPC;MDCG;27;1;"MARTINI bead: SP2_SP1";;;;;;;-1.06;;-7.1;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM444208;MM444208;C#CC1OC1C(=C)C#CC;YWCCRYQJKAESLA-UHFFFAOYSA-N;132.16;0.97;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4_SNa";;;;;;;2.2;;0.34;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM444209;MM444209;C#CC1=NN=C(C#C)C1=C;HVBZPABPYIHRAK-UHFFFAOYSA-N;128.13;0.62;;;;;DOPC;MDCG;27;0;"MARTINI bead: SN0_SN0";;;;;;;1.47;;-0.05;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM444210;MM444210;C=CC1=CC(NC)CC1=C;ZJEXAWWPFAQGDY-UHFFFAOYSA-N;135.21;1.65;;;;;DOPC;MDCG;27;1;"MARTINI bead: SNd_SC3";;;;;;;2.57;;-1.07;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM444211;MM444211;CCCC1=CCN(C=O)C1;IIDNHGDIFPXEDO-UHFFFAOYSA-N;139.2;1.18;;;;;DOPC;MDCG;27;0;"MARTINI bead: SN0_SP1";;;;;;;0.34;;-1.53;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM444212;MM444212;C#CC1CN1C(=O)C#CC;QYPZCJOEGPGUJW-UHFFFAOYSA-N;133.15;-0.15;;;;;DOPC;MDCG;27;0;"MARTINI bead: N0_SP2";;;;;;;0.06;;-2.21;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM444213;MM444213;C#CC1=NN=C(C#C)C1=O;IMBLUFBYPRHJNX-UHFFFAOYSA-N;130.11;-0.37;;;;;DOPC;MDCG;27;0;"MARTINI bead: SN0_SNa";;;;;;;1.17;;-1.18;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM444214;MM444214;C=C1CC(NC)C=C1C#N;LCQPYNWUHHUQDP-UHFFFAOYSA-N;134.18;0.98;;;;;DOPC;MDCG;27;1;"MARTINI bead: SNd_SC5";;;;;;;1.64;;-1.24;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM444215;MM444215;NCCC1=CCN(C=O)C1;LGTOAAQKYLSDLW-UHFFFAOYSA-N;140.19;-0.27;;;;;DOPC;MDCG;27;1;"MARTINI bead: SP2_SP1";;;;;;;-1.06;;-6.26;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM444216;MM444216;CCC1CC1C(C)=CCN;WLFKAPIPYDQVRC-UHFFFAOYSA-N;139.24;1.94;;;;;DOPC;MDCG;27;1;"MARTINI bead: SC3_C5";;;;;;;3.34;;0.58;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM444217;MM444217;CCC1=C(C)C(CC)CC1;CCXLENAUNZUZGQ-UHFFFAOYSA-N;138.25;3.53;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC2_SC1";;;;;;;4.87;;0.53;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM444218;MM444218;C=C1CC(OC)C=C1C#N;SEBLKTHFCRGROA-UHFFFAOYSA-N;135.17;1.41;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNa_SC5";;;;;;;1.64;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM444219;MM444219;C=NN1CC=C(CCC)C1;KNHSMXNCRVXCOB-UHFFFAOYSA-N;138.21;1.64;;;;;DOPC;MDCG;27;0;"MARTINI bead: SN0_SP1";;;;;;;0.34;;-1.53;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM444220;MM444220;CCC=C(C)C1CC1NC;CDDVRTVSOUOKSG-UHFFFAOYSA-N;139.24;1.95;;;;;DOPC;MDCG;27;1;"MARTINI bead: C1_SNd";;;;;;;2.91;;-0.46;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM444221;MM444221;CCC1CCC(CN)=C1C;GSZFMKRRAVMHQB-UHFFFAOYSA-N;139.24;2.08;;;;;DOPC;MDCG;27;1;"MARTINI bead: SC2_SNd";;;;;;;2.83;;-0.23;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM444222;MM444222;C=C1CN(CC)C=C1C#N;ZQPDISBFKJLETK-UHFFFAOYSA-N;134.18;1.29;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNd_SP1";;;;;;;0.04;;-2.63;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM444223;MM444223;C=NN1CC=C(CCN)C1;XAQUUJVDASQYFH-UHFFFAOYSA-N;139.2;0.19;;;;;DOPC;MDCG;27;1;"MARTINI bead: SP2_SP1";;;;;;;-1.06;;-6.55;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM444224;MM444224;CCC=C(C)C1CC1OC;DHPSBHUJUIPCJZ-UHFFFAOYSA-N;140.23;2.38;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1_SNa";;;;;;;2.91;;0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM444225;MM444225;N#CC#CC1NC1C#N;GBGZYFFVFIBVPH-UHFFFAOYSA-N;117.11;-0.62;;;;;DOPC;MDCG;27;0;"MARTINI bead: N0_SP2";;;;;;;0.06;;-2.21;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM444226;MM444226;C=CC1=NN(CC)CC1=C;SCEVNLNTAJUOPC-UHFFFAOYSA-N;136.2;1.42;;;;;DOPC;MDCG;27;0;"MARTINI bead: SN0_SN0";;;;;;;1.47;;-0.05;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM444227;MM444227;CCOC1=CCN(C=N)C1;MRBLSKLQRZZWNN-UHFFFAOYSA-N;140.19;0.83;;;;;DOPC;MDCG;27;1;"MARTINI bead: SNa_SP1";;;;;;;0.04;;-5.13;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM444228;MM444228;N#CC1CC1NC(=N)C=O;JIYXKJQVNAXJCF-UHFFFAOYSA-N;137.14;-0.34;;;;;DOPC;MDCG;27;0;"MARTINI bead: P3_SN0";;;;;;;-0.8;;-2.99;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM444229;MM444229;CCC1CCC(CF)=C1C;FCMXHTYXWSQBAV-UHFFFAOYSA-N;142.22;3.09;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC2_SC4";;;;;;;4.16;;0.44;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM444230;MM444230;C=C1CN(CC)N=C1C#N;HHQWTFBHPIYJCR-UHFFFAOYSA-N;135.17;0.76;;;;;DOPC;MDCG;27;0;"MARTINI bead: SN0_SP1";;;;;;;0.34;;-1.53;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM444231;MM444231;CCOC1=CCN(C=O)C1;UQWBIDHRRPPPHV-UHFFFAOYSA-N;141.17;0.38;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNa_SP1";;;;;;;0.04;;-2.54;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM444232;MM444232;CCC=C(C)C1NC1CF;PUNFBGVNWANOIR-UHFFFAOYSA-N;143.21;1.65;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1_SP1";;;;;;;2.08;;0.49;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM444233;MM444233;CCC1=C(C)C(CN)CC1;QNYNUFDGWNFZGP-UHFFFAOYSA-N;139.24;2.08;;;;;DOPC;MDCG;27;1;"MARTINI bead: SC1_SNd";;;;;;;2.91;;-0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM444234;MM444234;C=Cc1nn(CC)oc1=O;FVSKKYZCVZBAEX-UHFFFAOYSA-N;140.14;0.5;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNa_SP2";;;;;;;-0.24;;-3.24;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM444235;MM444235;C=NN1CC=C(OCC)C1;FHAVOVHEPQIOEC-UHFFFAOYSA-N;140.19;0.84;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNa_SP1";;;;;;;0.04;;-2.54;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM444236;MM444236;CC(=CCN)C1OC1CF;XMGICILJHIZVBN-UHFFFAOYSA-N;145.18;0.63;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_SNa";;;;;;;0.87;;-4.12;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM444237;MM444237;CC1=C(CO)CCC1CN;OWRGOWAWEGQPOR-UHFFFAOYSA-N;141.21;0.66;;;;;DOPC;MDCG;27;1;"MARTINI bead: SNda_SNd";;;;;;;0.87;;-4.68;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM444238;MM444238;CCn1nc(C#N)c(=O)o1;HIAKTNRYKZOBFE-UHFFFAOYSA-N;139.11;-0.27;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP1_SP2";;;;;;;-1.06;;-3.82;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM444239;MM444239;C=CCC1=CCC(C=C)C1;DQOKTCFOTIHFMO-UHFFFAOYSA-N;134.22;3.08;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC3_SC3";;;;;;;4.27;;0.2;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM444240;MM444240;CCC=C(F)C1OC1CC;PYUYJMRZOFXUPT-UHFFFAOYSA-N;144.19;2.43;;;;;DOPC;MDCG;27;0;"MARTINI bead: C3_SNa";;;;;;;2.57;;0.45;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM444241;MM444241;CC1=C(CN)CCC1CO;QXDGWCWJPKTAHE-UHFFFAOYSA-N;141.21;0.66;;;;;DOPC;MDCG;27;1;"MARTINI bead: SNd_SNda";;;;;;;0.87;;-4.15;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM444242;MM444242;C=CC1=CC(C=C)CC1=C;CTHRSFDUEZDKNV-UHFFFAOYSA-N;132.21;2.86;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC4_SC3";;;;;;;3.9;;0.47;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM444243;MM444243;C=CC1CC=C(CC=O)C1;USXCENGJYHQEFQ-UHFFFAOYSA-N;136.19;2.1;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC3_SN0";;;;;;;2.87;;0.37;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM444244;MM444244;CCC=C(F)C1OC1CN;XOALXWHZDLSQMR-UHFFFAOYSA-N;145.18;0.98;;;;;DOPC;MDCG;27;1;"MARTINI bead: C3_SP2";;;;;;;1.46;;-2.01;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM444245;MM444245;CCC1(C)CC1C(C)(C)O;KJFTUNCVOXYJLN-UHFFFAOYSA-N;142.24;2.19;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC3_Nda";;;;;;;2.57;;0.44;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM444246;MM444246;C=CC1=CC(C=O)CC1=C;FKANMVARXBRBFA-UHFFFAOYSA-N;134.18;1.87;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC3_SNa";;;;;;;2.57;;0.45;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM444247;MM444247;C=CC1CC=C(CC#N)C1;XFYBTFSFPCZIEU-UHFFFAOYSA-N;133.19;2.42;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC3_SC5";;;;;;;3.34;;0.48;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM444248;MM444248;CCC=C(C)C1CN1CC;RVOUDECPVGKOSW-UHFFFAOYSA-N;139.24;2.05;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1_SNd";;;;;;;2.91;;0.66;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM444249;MM444249;CCC1CCC(OC)=C1C;PXGROVWZABRMOR-UHFFFAOYSA-N;140.23;2.73;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC2_SC4";;;;;;;4.16;;0.44;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM444250;MM444250;C=CC1=CC(C#N)CC1=C;YQQFYJLGYOCQCO-UHFFFAOYSA-N;131.18;2.2;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC3_SN0";;;;;;;2.87;;0.37;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM444251;MM444251;C=CCC1=CCC(C=O)C1;RWHQPANWKRBXNZ-UHFFFAOYSA-N;136.19;2.1;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC3_SNa";;;;;;;2.57;;0.45;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM444252;MM444252;CCN=C(C)N1CC1CC;AIRHMFASLYOOTG-UHFFFAOYSA-N;140.23;1.52;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_SP1";;;;;;;0.04;;-5.7;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM444253;MM444253;COC1=C(C)C(CN)CC1;LNSWVWYYAWCYPY-UHFFFAOYSA-N;141.21;1.28;;;;;DOPC;MDCG;27;1;"MARTINI bead: SC4_SNd";;;;;;;2.2;;-2.18;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM444254;MM444254;C=CC1C=C(C#N)C(=C)C1;KUUMUGBERJRDGV-UHFFFAOYSA-N;131.18;2.2;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC4_SC5";;;;;;;2.97;;0.45;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM444255;MM444255;C=CCC1=CCC(C#N)C1;BSQGXMGBEMWLAG-UHFFFAOYSA-N;133.19;2.42;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC3_SN0";;;;;;;2.87;;0.37;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM444256;MM444256;CCC1CC1C(C)=CC=O;KYYRNENECOZAIH-UHFFFAOYSA-N;138.21;2.18;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC3_N0";;;;;;;2.87;;0.37;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM444257;MM444257;COC1=C(C)C(CO)CC1;IUYDJAYQIOHUHA-UHFFFAOYSA-N;142.2;1.31;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC4_SNda";;;;;;;2.2;;0.49;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM444258;MM444258;C=C1CC(C#N)C=C1C#N;POEQGUHSLTXEAN-UHFFFAOYSA-N;130.15;1.54;;;;;DOPC;MDCG;27;0;"MARTINI bead: SN0_SC5";;;;;;;1.94;;0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM444259;MM444259;O=CCC1=CCC(C=O)C1;IMXCZRPNFKKGEE-UHFFFAOYSA-N;138.17;1.11;;;;;DOPC;MDCG;27;0;"MARTINI bead: SN0_SNa";;;;;;;1.17;;-1.18;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM444260;MM444260;CCC1CC1C(C)=CC#N;QILGRTHMDAHCEJ-UHFFFAOYSA-N;135.21;2.5;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC3_C5";;;;;;;3.34;;0.48;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM444261;MM444261;CNC1CCC(CN)=C1C;ADXUXGIKNAIOKB-UHFFFAOYSA-N;140.23;0.64;;;;;DOPC;MDCG;27;1;"MARTINI bead: SNd_SNd";;;;;;;0.87;;-4.83;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM444262;MM444262;C=CC1=CN(C=N)CC1=C;GRQZZLSHMOBQRI-UHFFFAOYSA-N;134.18;1.54;;;;;DOPC;MDCG;27;1;"MARTINI bead: SN0_SP1";;;;;;;0.34;;-4.08;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM444263;MM444263;N#CCC1=CCC(C=O)C1;XVYHYJAPISNMLE-UHFFFAOYSA-N;135.17;1.44;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNa_SC5";;;;;;;1.64;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM444264;MM444264;C=CC=C(C)C1CC1CN;LEEMFCZOBVKRFY-UHFFFAOYSA-N;137.23;1.71;;;;;DOPC;MDCG;27;1;"MARTINI bead: C1_SNd";;;;;;;2.91;;-0.55;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM444265;MM444265;CNC1CCC(OC)=C1C;TWPNYWKFHVBJTJ-UHFFFAOYSA-N;141.21;1.29;;;;;DOPC;MDCG;27;1;"MARTINI bead: SNd_SC4";;;;;;;2.2;;-1.74;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM444266;MM444266;C=CC1=CN(C=O)CC1=C;PXHUIISTFFWTEQ-UHFFFAOYSA-N;135.17;1.08;;;;;DOPC;MDCG;27;0;"MARTINI bead: SN0_SP1";;;;;;;0.34;;-1.53;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM444267;MM444267;N#CCC1=CCC(C#N)C1;KAHWUKFGHGPIRD-UHFFFAOYSA-N;132.17;1.76;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC5_SN0";;;;;;;1.94;;0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM444268;MM444268;C=CC=C(F)C1CC1CN;XRPJLKXXMYWNSN-UHFFFAOYSA-N;141.19;1.62;;;;;DOPC;MDCG;27;1;"MARTINI bead: SNd_C3";;;;;;;2.57;;-1.51;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM444269;MM444269;CCC1=C(C)C(OC)CC1;IQMRPLWBBWUXTD-UHFFFAOYSA-N;140.23;2.52;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC1_SNa";;;;;;;2.91;;0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM444270;MM444270;C=C1CN(C=N)C=C1C=O;VISYVEGLFJWWID-UHFFFAOYSA-N;136.15;0.55;;;;;DOPC;MDCG;27;1;"MARTINI bead: SP1_SP1";;;;;;;-0.79;;-5.12;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM444271;MM444271;C=CC1CC=C(NC=N)C1;BKHBNSCTRUWKNG-UHFFFAOYSA-N;136.2;1.66;;;;;DOPC;MDCG;27;1;"MARTINI bead: SC3_SNd";;;;;;;2.57;;-2.5;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM444272;MM444272;C=CC=C(F)C1CC1NC;NZWDRFCSJYUONE-UHFFFAOYSA-N;141.19;1.63;;;;;DOPC;MDCG;27;1;"MARTINI bead: SNd_C3";;;;;;;2.57;;-0.94;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM444273;MM444273;COC1CCC(CN)=C1C;YNCDOBOJQICFCT-UHFFFAOYSA-N;141.21;1.07;;;;;DOPC;MDCG;27;1;"MARTINI bead: SNa_SNd";;;;;;;0.87;;-4.12;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM444274;MM444274;C=C1CN(C=N)C=C1C#N;PFNLPZYXKVQTRW-UHFFFAOYSA-N;133.15;0.87;;;;;DOPC;MDCG;27;1;"MARTINI bead: SP1_SP1";;;;;;;-0.79;;-4.83;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM444275;MM444275;N=CNC1=CCC(C=O)C1;VUWMNTKXFVHEPI-UHFFFAOYSA-N;138.17;0.68;;;;;DOPC;MDCG;27;1;"MARTINI bead: SNd_SNa";;;;;;;0.87;;-5.68;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM444276;MM444276;C=CC=C(C)C1CC1OC;ORSMPOBVZBCRLB-UHFFFAOYSA-N;138.21;2.15;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNa_C1";;;;;;;2.91;;0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM444277;MM444277;COC1CCC(CO)=C1C;SXGXRRJWCDCVTR-UHFFFAOYSA-N;142.2;1.1;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNa_SNda";;;;;;;0.87;;-1.99;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM444278;MM444278;C=C1CN(C=O)C=C1C#N;OFGKTKSQHOFUHE-UHFFFAOYSA-N;134.14;0.42;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP1_SP1";;;;;;;-0.79;;-3.13;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM444279;MM444279;N#CC1CC=C(NC=N)C1;RNDRQRZRZVCECA-UHFFFAOYSA-N;135.17;1;;;;;DOPC;MDCG;27;1;"MARTINI bead: SNd_SN0";;;;;;;1.17;;-4.82;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM444280;MM444280;COC1CC1C(N)=CC=O;WWQSAJDXJNMSAI-UHFFFAOYSA-N;141.17;0.06;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNa_P1";;;;;;;0.04;;-2.54;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM444281;MM444281;COC1CCC(CF)=C1C;YGNPONXGZTUDQT-UHFFFAOYSA-N;144.19;2.08;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNa_SC4";;;;;;;2.2;;0.34;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM444282;MM444282;C=NN1C=C(C#N)C(=C)C1;YFFQUXRLGLKBMN-UHFFFAOYSA-N;133.15;0.88;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP1_SP1";;;;;;;-0.79;;-3.13;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM444283;MM444283;C=COC1=CCC(C=C)C1;WYHYEEWVMHRNDO-UHFFFAOYSA-N;136.19;2.63;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC4_SC3";;;;;;;3.9;;0.47;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM444284;MM444284;CCC1NC1C(C)=CC#N;RGULXRHFRBCCEV-UHFFFAOYSA-N;136.2;1.21;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNd_N0";;;;;;;1.17;;-1.04;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM444285;MM444285;CCC1=C(C)C(CC)CO1;RUBBDUQAKLXPKV-UHFFFAOYSA-N;140.23;2.73;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC5_SC4";;;;;;;2.97;;0.45;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM444286;MM444286;C=CC1=NN(C=N)CC1=C;CIXFSKRTEAAOID-UHFFFAOYSA-N;135.17;1.01;;;;;DOPC;MDCG;27;0;"MARTINI bead: SN0_SP2";;;;;;;0.06;;-2.21;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM444287;MM444287;C=COC1=CCC(C=O)C1;WUOZEFZCJYPKQM-UHFFFAOYSA-N;138.17;1.64;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC4_SNa";;;;;;;2.2;;0.34;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM444288;MM444288;C=CC=C(F)C1OC1CC;QBRYVFACOLVCBV-UHFFFAOYSA-N;142.17;2.2;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNa_C4";;;;;;;2.2;;0.34;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM444289;MM444289;CCC1COC(CN)=C1C;HLOKNQOPATZOBO-UHFFFAOYSA-N;141.21;1.28;;;;;DOPC;MDCG;27;1;"MARTINI bead: SC5_SP1";;;;;;;0.81;;-1.93;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM444290;MM444290;C=CC1=NN(C=O)CC1=C;BCTZNFGEUZZPJR-UHFFFAOYSA-N;136.15;0.56;;;;;DOPC;MDCG;27;0;"MARTINI bead: SN0_SP2";;;;;;;0.06;;-2.21;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM444291;MM444291;C=COC1=CCC(C#N)C1;BVMBKQSAMABLTI-UHFFFAOYSA-N;135.17;1.96;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC4_SN0";;;;;;;2.5;;0.44;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM444292;MM444292;C=CC=C(F)C1OC1CO;MYVJEBKJKREWPC-UHFFFAOYSA-N;144.15;0.79;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP2_C4";;;;;;;1.09;;-0.38;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM444293;MM444293;CCC1COC(CO)=C1C;HZBHUROJSXRRFI-UHFFFAOYSA-N;142.2;1.31;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC5_SNda";;;;;;;1.64;;0.05;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM444294;MM444294;C=C1CN(C=N)N=C1C#N;RYRKJUPESVYJGT-UHFFFAOYSA-N;134.14;0.34;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP2_SP1";;;;;;;-1.06;;-3.82;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM444295;MM444295;C=CCC1=COC(C=C)C1;WFRZNULSRCFESM-UHFFFAOYSA-N;136.19;2.42;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC5_SC5";;;;;;;2.41;;0.64;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM444296;MM444296;CCN1CC1C(C)=CC#N;WJTLXXCCETTYID-UHFFFAOYSA-N;136.2;1.16;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNd_N0";;;;;;;1.17;;-1.04;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM444297;MM444297;CCC1=C(C)C(CN)CO1;APOOTIGKVOPMNZ-UHFFFAOYSA-N;141.21;1.28;;;;;DOPC;MDCG;27;1;"MARTINI bead: SC4_SP1";;;;;;;1.37;;-2.62;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM444298;MM444298;C=Cc1nn(C=C)oc1=O;SSKAWEKGFDHYIV-UHFFFAOYSA-N;138.13;0.58;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNa_SP2";;;;;;;-0.24;;-3.24;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM444299;MM444299;C=CC1CC(CC#N)=CO1;JQSDXJJTXCHGAZ-UHFFFAOYSA-N;135.17;1.76;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC5_SN0";;;;;;;1.94;;0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM444300;MM444300;CCN1CC1C(F)=CC#N;SSDYPPUIPFJIOW-UHFFFAOYSA-N;140.16;1.07;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNd_Na";;;;;;;0.87;;-1.88;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM444301;MM444301;CC1=C(CN)OCC1CN;DYMMPDJXXSCNDX-UHFFFAOYSA-N;142.2;-0.18;;;;;DOPC;MDCG;27;1;"MARTINI bead: SP1_SP1";;;;;;;-0.79;;-5.85;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM444302;MM444302;C=Cc1nn(C=N)oc1=O;XYHDDNBRDYTQFV-UHFFFAOYSA-N;139.11;-0.07;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNa_SP3";;;;;;;-1.1;;-4.2;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM444303;MM444303;C=CCC1=COC(C=O)C1;BIDOQBVLGVKRFY-UHFFFAOYSA-N;138.17;1.43;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC5_SNa";;;;;;;1.64;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM444304;MM444304;CCC1CN1C(N)=CC=O;GGDHLPZXQAOBIO-UHFFFAOYSA-N;140.19;0.08;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP1_P3";;;;;;;-1.93;;-4.72;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM444305;MM444305;CCC1=C(C)C(NC)CO1;LKPJTXGPQJZOAE-UHFFFAOYSA-N;141.21;1.29;;;;;DOPC;MDCG;27;1;"MARTINI bead: SC4_SP1";;;;;;;1.37;;-1.54;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM444306;MM444306;C=Cc1nn(C=O)oc1=O;VBTPNPDMVAUIOX-UHFFFAOYSA-N;140.1;-0.48;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNa_SP2";;;;;;;-0.24;;-3.24;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM444307;MM444307;C=CCC1=COC(C#N)C1;FKHFLBVPSRIRQK-UHFFFAOYSA-N;135.17;1.76;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC5_SNa";;;;;;;1.64;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM444308;MM444308;CCC1CN1C(N)=CC#N;CBYXDTXPITVYPJ-UHFFFAOYSA-N;137.19;0.4;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP1_P1";;;;;;;-0.79;;-3.13;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM444309;MM444309;CNC1COC(CN)=C1C;NGVQCAAHVZEOSL-UHFFFAOYSA-N;142.2;-0.16;;;;;DOPC;MDCG;27;1;"MARTINI bead: SP1_SP1";;;;;;;-0.79;;-4.96;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM444310;MM444310;C=Cn1nc(C#N)c(=O)o1;XYXYRQLEXBJLRG-UHFFFAOYSA-N;137.1;-0.19;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP1_SP2";;;;;;;-1.06;;-3.82;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM444311;MM444311;N#CCC1=COC(C=O)C1;KCOWUFJZXPIREV-UHFFFAOYSA-N;137.14;0.77;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNa_SN0";;;;;;;1.17;;-1.18;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM444312;MM444312;C#CC=C(C)C1CC1CC;PLBPCBQUEAXCRG-UHFFFAOYSA-N;134.22;2.61;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC3_C4";;;;;;;3.9;;0.47;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM444313;MM444313;CCC1=C(C)C(OC)CO1;XKULPZSZOAXAII-UHFFFAOYSA-N;142.2;1.72;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC4_SNa";;;;;;;2.2;;0.34;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM444314;MM444314;N#Cc1nn(C=N)oc1=O;FOERXMLRBAYNSZ-UHFFFAOYSA-N;138.09;-0.84;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP1_SP3";;;;;;;-1.93;;-4.72;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM444315;MM444315;N#CCC1=COC(C#N)C1;FHNBCDIMFLVIJI-UHFFFAOYSA-N;134.14;1.1;;;;;DOPC;MDCG;27;0;"MARTINI bead: SN0_SNa";;;;;;;1.17;;-1.18;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM444316;MM444316;C#CC=C(C)C1CC1NC;SXCMOEZXLZNKRG-UHFFFAOYSA-N;135.21;1.17;;;;;DOPC;MDCG;27;1;"MARTINI bead: SNd_C4";;;;;;;2.2;;-2.11;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM444317;MM444317;COC1COC(CF)=C1C;UUBQLLWMSGCERF-UHFFFAOYSA-N;146.16;1.28;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNa_SNa";;;;;;;0.87;;-2.22;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM444318;MM444318;O=Cc1nn(C=O)oc1=O;KXDRIKYDMQBTOL-UHFFFAOYSA-N;142.07;-1.31;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP1_SP2";;;;;;;-1.06;;-3.82;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM444319;MM444319;C=CC1CC(NC=N)=CO1;BVLZXCPMUUUNNQ-UHFFFAOYSA-N;138.17;1;;;;;DOPC;MDCG;27;1;"MARTINI bead: SC5_SNd";;;;;;;1.64;;-2.48;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM444320;MM444320;C#CC=C(C)C1CC1OC;ZRDUVZIGMJGMEO-UHFFFAOYSA-N;136.19;1.6;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNa_C4";;;;;;;2.2;;0.34;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM444321;MM444321;CCC1=C(C)C(CC)NC1;VYXHEOOOWUICGK-UHFFFAOYSA-N;139.24;2.09;;;;;DOPC;MDCG;27;1;"MARTINI bead: SNd_SN0";;;;;;;1.17;;-4.7;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM444322;MM444322;N#Cc1nn(C=O)oc1=O;KYYUKKHWKBWJCD-UHFFFAOYSA-N;139.07;-1.25;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP1_SP2";;;;;;;-1.06;;-3.82;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM444323;MM444323;N=CNC1=COC(C=O)C1;LQFJURWFTRLJGY-UHFFFAOYSA-N;140.14;0.01;;;;;DOPC;MDCG;27;1;"MARTINI bead: SNd_SNa";;;;;;;0.87;;-4.47;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM444324;MM444324;C#CC=C(C)C1OC1CC;IMVLTICRCNMANP-UHFFFAOYSA-N;136.19;1.74;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNa_C4";;;;;;;2.2;;0.34;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM444325;MM444325;CCC1NCC(CN)=C1C;ZTQSMGBMYUTZKZ-UHFFFAOYSA-N;140.23;0.64;;;;;DOPC;MDCG;27;1;"MARTINI bead: SNd_SP2";;;;;;;-0.24;;-6.44;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM444326;MM444326;C#CC1C=C(C=C)C(=C)C1;WIHQTWFNBUVAJJ-UHFFFAOYSA-N;130.19;2.31;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC3_SC5";;;;;;;3.34;;0.48;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM444327;MM444327;N#CC1CC(NC=N)=CO1;GGRTZJDOAJCIKZ-UHFFFAOYSA-N;137.14;0.34;;;;;DOPC;MDCG;27;1;"MARTINI bead: SNd_SNa";;;;;;;0.87;;-4.44;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM444328;MM444328;C=CC1CC1C(C)=CCC;POTDAMJGCMSUOP-UHFFFAOYSA-N;136.24;3.16;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1_SC4";;;;;;;4.24;;0.42;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM444329;MM444329;CCC1NCC(CO)=C1C;JNTAJFUCHQMVNZ-UHFFFAOYSA-N;141.21;0.68;;;;;DOPC;MDCG;27;1;"MARTINI bead: SNd_SP2";;;;;;;-0.24;;-6.28;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM444330;MM444330;C#CC1C=C(C#N)C(=C)C1;HFLZNUXRMWTSME-UHFFFAOYSA-N;129.16;1.65;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC5_SC5";;;;;;;2.41;;0.64;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM444331;MM444331;C=COC1=COC(C=O)C1;TZDRPCNLQNZWBW-UHFFFAOYSA-N;140.14;0.98;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNa_SNa";;;;;;;0.87;;-2.22;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM444332;MM444332;C=CC1CC1C(C)=CCO;BEVMULPAFOMUQN-UHFFFAOYSA-N;138.21;1.75;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda_SC4";;;;;;;2.2;;0.49;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM444333;MM444333;CCC1NCC(CF)=C1C;BRFWWLLWTWSNIB-UHFFFAOYSA-N;143.21;1.65;;;;;DOPC;MDCG;27;1;"MARTINI bead: SNd_SP1";;;;;;;0.04;;-5.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM444334;MM444334;C#CC1=CC(CC)CC1=C;ANJYYHQIDMMHSF-UHFFFAOYSA-N;132.21;2.53;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC2_SC5";;;;;;;3.6;;0.34;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM444335;MM444335;C=COC1=COC(C#N)C1;LTBOIJCLDBDMJK-UHFFFAOYSA-N;137.14;1.3;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNa_SNa";;;;;;;0.87;;-2.22;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM444336;MM444336;C=CC1NC1C(C)=CCC;CCRLYBWIRDCZMU-UHFFFAOYSA-N;137.23;1.87;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1_SP1";;;;;;;2.08;;0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM444337;MM444337;CCC1=C(C)C(CN)NC1;ZFRLZVOYHQVZGR-UHFFFAOYSA-N;140.23;0.64;;;;;DOPC;MDCG;27;1;"MARTINI bead: SN0_SP2";;;;;;;0.06;;-5.29;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM444338;MM444338;C#CC1=CC(CN)CC1=C;WOYNTFLUTLFXFP-UHFFFAOYSA-N;133.19;1.08;;;;;DOPC;MDCG;27;1;"MARTINI bead: SNd_SC5";;;;;;;1.64;;-2.66;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM444339;MM444339;C=CN=C1CC(C=C)CN1;YTAREYLGMXJGMQ-UHFFFAOYSA-N;136.2;1.32;;;;;DOPC;MDCG;27;1;"MARTINI bead: SNd_SN0";;;;;;;1.17;;-4.97;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM444340;MM444340;CCC=C(C)C1OC1C#N;BXAXZYLVTFIUPJ-UHFFFAOYSA-N;137.18;1.63;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1_SP1";;;;;;;2.08;;0.48;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM444341;MM444341;CC1=C(CN)CNC1CN;ODGGOOKCARWFQO-UHFFFAOYSA-N;141.22;-0.81;;;;;DOPC;MDCG;27;1;"MARTINI bead: SP2_SP2";;;;;;;-1.34;;-6.87;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM444342;MM444342;C#CC#CC(F)C1CN1;TZVRUTPZFQITPG-UHFFFAOYSA-N;123.13;-0.07;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_SP2";;;;;;;0.54;;-1.09;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM444343;MM444343;C=CN=C1CC(C=O)CN1;QOJGKKJLJVYQIQ-UHFFFAOYSA-N;138.17;0.34;;;;;DOPC;MDCG;27;1;"MARTINI bead: SNd_SP2";;;;;;;-0.24;;-6.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM444344;MM444344;CCC=C(C)C1CN1C=O;KHBISKURMAGPIU-UHFFFAOYSA-N;139.2;1.18;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1_SP2";;;;;;;1.8;;0.4;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM444345;MM444345;CC1=C(CO)CNC1CN;XDVFBUJSNIXCNI-UHFFFAOYSA-N;142.2;-0.77;;;;;DOPC;MDCG;27;1;"MARTINI bead: SP2_SP2";;;;;;;-1.34;;-6.95;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM444346;MM444346;C#CC1=CC(CF)CC1=C;FGHZWCZGIBBSBV-UHFFFAOYSA-N;136.17;2.09;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC5_SC5";;;;;;;2.41;;0.64;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM444347;MM444347;C=CN=C1CC(C#N)CN1;IQXXPUQCJRSMNW-UHFFFAOYSA-N;135.17;0.66;;;;;DOPC;MDCG;27;1;"MARTINI bead: SNd_SP1";;;;;;;0.04;;-6.11;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM444348;MM444348;CC(=CCN)C1CN1C=O;LSBIPLFLWNJIMB-UHFFFAOYSA-N;140.19;-0.27;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_SP2";;;;;;;-0.24;;-5.09;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM444349;MM444349;CC1=C(CN)CNC1CO;GDYWZQSEHGLWPS-UHFFFAOYSA-N;142.2;-0.77;;;;;DOPC;MDCG;27;1;"MARTINI bead: SP2_SP1";;;;;;;-1.06;;-6.46;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM444350;MM444350;C#CC1=CC(NC)CC1=C;TYSYWXNKIYTBID-UHFFFAOYSA-N;133.19;1.09;;;;;DOPC;MDCG;27;1;"MARTINI bead: SNd_SC5";;;;;;;1.64;;-2.11;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM444351;MM444351;C=CCC1=NNC(C=C)C1;OXSQETGKPWCPKQ-UHFFFAOYSA-N;136.2;1.47;;;;;DOPC;MDCG;27;0;"MARTINI bead: SN0_SNd";;;;;;;1.17;;-1.04;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM444352;MM444352;C=CC1CN1C(C)=NCC;NFBSEVIRTWWZOE-UHFFFAOYSA-N;138.21;1.29;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_SP1";;;;;;;0.04;;-5.12;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM444353;MM444353;CC1=C(CO)CNC1CO;ZDBWVJRMAKHGSB-UHFFFAOYSA-N;143.19;-0.74;;;;;DOPC;MDCG;27;1;"MARTINI bead: SP2_SP1";;;;;;;-1.06;;-6.23;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM444354;MM444354;C#CC1=CC(OC)CC1=C;YPMVLRCEHRMMLO-UHFFFAOYSA-N;134.18;1.52;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNa_SC5";;;;;;;1.64;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM444355;MM444355;C=CC1CC(CC#N)=NN1;FNRHNKGXMVCVGU-UHFFFAOYSA-N;135.17;0.8;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNd_SP1";;;;;;;0.04;;-2.63;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM444356;MM444356;C=CC=C(C)C1CC1C=C;PDNCZSCRBKKRAJ-UHFFFAOYSA-N;134.22;2.94;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1_SC4";;;;;;;4.24;;0.42;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM444357;MM444357;CCC1NCC(OC)=C1C;WEZBSAOJQSLMOK-UHFFFAOYSA-N;141.21;1.29;;;;;DOPC;MDCG;27;1;"MARTINI bead: SNd_SP1";;;;;;;0.04;;-5.29;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM444358;MM444358;C#CC1=CC(CC)OC1=C;URUXAXCTUALWQG-UHFFFAOYSA-N;134.18;1.87;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNa_SN0";;;;;;;1.17;;-1.18;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM444359;MM444359;C#CC(C)C(=O)OC=NN;IMGWHXADLCMCLT-UHFFFAOYSA-N;140.14;-0.3;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_P1";;;;;;;0.81;;-0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM444360;MM444360;C=CC=C(C)C1CC1C#N;IZLQNZLXQQDCGX-UHFFFAOYSA-N;133.19;2.28;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1_SN0";;;;;;;3.21;;0.46;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM444361;MM444361;CCC1=C(C)C(CC)OC1;VOJBMBFJYHDOBO-UHFFFAOYSA-N;140.23;2.52;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNa_SC5";;;;;;;1.64;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM444362;MM444362;C#CC1=CC(CN)OC1=C;IDDDZDRGOXANCW-UHFFFAOYSA-N;135.17;0.42;;;;;DOPC;MDCG;27;1;"MARTINI bead: SP1_SN0";;;;;;;0.34;;-3.55;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM444363;MM444363;C#CC(=C)C(=O)OC=NN;GSEBQSGUKZWTEV-UHFFFAOYSA-N;138.13;-0.38;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_N0";;;;;;;0.34;;-1.53;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM444364;MM444364;CC(=CC#N)C1CC1C=O;QMCKACMGSGRGSP-UHFFFAOYSA-N;135.17;1.29;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_SNa";;;;;;;1.64;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM444365;MM444365;CCC1OCC(CN)=C1C;RCIJYEYJUUPEBV-UHFFFAOYSA-N;141.21;1.07;;;;;DOPC;MDCG;27;1;"MARTINI bead: SNa_SP1";;;;;;;0.04;;-4.7;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM444366;MM444366;C#CC1=NN(CC)CC1=C;COMUYJOJXLFWDF-UHFFFAOYSA-N;134.18;0.87;;;;;DOPC;MDCG;27;0;"MARTINI bead: SN0_SP1";;;;;;;0.34;;-1.53;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM444367;MM444367;N#CCC1=NNC(C=O)C1;CFHLMKKEHSHRRL-UHFFFAOYSA-N;137.14;-0.18;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP1_SP1";;;;;;;-0.79;;-3.13;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM444368;MM444368;CC(=CC#N)C1CC1C#N;NYMMABPPGVAMAS-UHFFFAOYSA-N;132.17;1.62;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_SN0";;;;;;;1.94;;0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM444369;MM444369;CCC1OCC(CF)=C1C;KXHRHHCUPUISEP-UHFFFAOYSA-N;144.19;2.08;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNa_SNa";;;;;;;0.87;;-2.22;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM444370;MM444370;C#Cc1nn(CC)oc1=O;FNTUTEJCTXZHON-UHFFFAOYSA-N;138.13;-0.16;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP1_SP2";;;;;;;-1.06;;-3.82;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM444371;MM444371;N#CCC1=NNC(C#N)C1;GGCUEKYBYMDWFL-UHFFFAOYSA-N;134.14;0.14;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP1_SP1";;;;;;;-0.79;;-3.13;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM444372;MM444372;C=CC1NC1C(C)=CC#N;ZFTPQKUKBQZWDL-UHFFFAOYSA-N;134.18;0.98;;;;;DOPC;MDCG;27;0;"MARTINI bead: N0_SP1";;;;;;;0.34;;-1.53;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM444373;MM444373;CCC1=C(C)C(CN)OC1;VMDQVOYCUBSUHG-UHFFFAOYSA-N;141.21;1.07;;;;;DOPC;MDCG;27;1;"MARTINI bead: SC5_SP1";;;;;;;0.81;;-2.51;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM444374;MM444374;C#CC1=CC(C=C)CC1=C;BDADHIHFMUHKLQ-UHFFFAOYSA-N;130.19;2.31;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC4_SC5";;;;;;;2.97;;0.45;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM444375;MM444375;C=CN=C1CC(C=C)NN1;DENANFIRAHTCEH-UHFFFAOYSA-N;137.19;0.58;;;;;DOPC;MDCG;27;1;"MARTINI bead: SP2_SP2";;;;;;;-1.34;;-6.53;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM444376;MM444376;C#CC1C(=O)N(C=N)C1C;BSGPDVYZZTWGQL-UHFFFAOYSA-N;136.15;0.07;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP2_SP2";;;;;;;-1.34;;-4.31;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM444377;MM444377;CC1=C(CN)COC1CN;WOJMPDJZWVEKBB-UHFFFAOYSA-N;142.2;-0.38;;;;;DOPC;MDCG;27;1;"MARTINI bead: SP1_SP1";;;;;;;-0.79;;-5.53;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM444378;MM444378;C#CC1=CC(C=O)CC1=C;RCRVBOXGELIGEY-UHFFFAOYSA-N;132.16;1.32;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNa_SC5";;;;;;;1.64;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM444379;MM444379;C=CN=C1CC(C=O)NN1;OXFSLVIYFLLVAQ-UHFFFAOYSA-N;139.16;-0.41;;;;;DOPC;MDCG;27;1;"MARTINI bead: SP2_SP3";;;;;;;-2.2;;-7.29;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM444380;MM444380;C=CC=C(F)C1NC1C=C;KROPRIBOHKZVQZ-UHFFFAOYSA-N;139.17;1.55;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4_SP1";;;;;;;1.37;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM444381;MM444381;CC1=C(CO)COC1CN;KBBWFONANLCMMM-UHFFFAOYSA-N;143.19;-0.35;;;;;DOPC;MDCG;27;1;"MARTINI bead: SP1_SP1";;;;;;;-0.79;;-5.16;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM444382;MM444382;C#CC1=CC(C#N)CC1=C;UJVDSAOOOIJDTF-UHFFFAOYSA-N;129.16;1.65;;;;;DOPC;MDCG;27;0;"MARTINI bead: SN0_SC5";;;;;;;1.94;;0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM444383;MM444383;C=CCC1=NOC(C=C)C1;RCJCBKVYQDEGLS-UHFFFAOYSA-N;137.18;1.89;;;;;DOPC;MDCG;27;0;"MARTINI bead: SN0_SNa";;;;;;;1.17;;-1.18;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM444384;MM444384;C=CC1NC1C(F)=CC#N;QFACHVZIQVWAEA-UHFFFAOYSA-N;138.15;0.89;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_SP1";;;;;;;0.04;;-2.54;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM444385;MM444385;CCC1=C(C)C(CO)OC1;MWXTVVTVRZWCTH-UHFFFAOYSA-N;142.2;1.1;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC5_SP1";;;;;;;0.81;;-0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM444386;MM444386;C#CC1=CN(C=N)CC1=C;XMJQPNAYSXAMRG-UHFFFAOYSA-N;132.17;0.98;;;;;DOPC;MDCG;27;1;"MARTINI bead: SP1_SP1";;;;;;;-0.79;;-5.25;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM444387;MM444387;C=CC1CC(CC#N)=NO1;IFPMWUPTLKQPAP-UHFFFAOYSA-N;136.15;1.23;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNa_SP1";;;;;;;0.04;;-2.54;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM444388;MM444388;N#CC=C(F)C1NC1C#N;VQLFSYPXJWWKNX-UHFFFAOYSA-N;137.12;0.23;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_SP2";;;;;;;-0.24;;-3.24;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM444389;MM444389;CC1=C(CN)COC1CO;QPMCHNJCWNZGAC-UHFFFAOYSA-N;143.19;-0.35;;;;;DOPC;MDCG;27;1;"MARTINI bead: SP1_SP1";;;;;;;-0.79;;-5.3;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM444390;MM444390;C#CC1=CN(C=O)CC1=C;LNGLMGLMFFZUNS-UHFFFAOYSA-N;133.15;0.53;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP1_SP1";;;;;;;-0.79;;-3.13;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM444391;MM444391;CC=C(F)C(=O)OC=NN;QEQYVGYKABKIOE-UHFFFAOYSA-N;146.12;0.3;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4_P1";;;;;;;1.37;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM444392;MM444392;C=CC=C(C)C1CN1C=N;UGEKGIMZFASYPT-UHFFFAOYSA-N;136.2;1.41;;;;;DOPC;MDCG;27;1;"MARTINI bead: C1_SP2";;;;;;;1.8;;-1.51;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM444393;MM444393;CCC1OCC(OC)=C1C;HFEVVJANGPNQPM-UHFFFAOYSA-N;142.2;1.72;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNa_SNa";;;;;;;0.87;;-2.22;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM444394;MM444394;C#CC1=NN(C=N)CC1=C;KRMMHAUJEXGIRM-UHFFFAOYSA-N;133.15;0.45;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP2_SP1";;;;;;;-1.06;;-3.82;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM444395;MM444395;C=CCC1=NOC(C#N)C1;RXEKZKGVEYIDPW-UHFFFAOYSA-N;136.15;1.23;;;;;DOPC;MDCG;27;0;"MARTINI bead: SN0_SP1";;;;;;;0.34;;-1.53;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM444396;MM444396;CC(=CC#N)C1CN1C=N;GWNPHZDBXNYGQQ-UHFFFAOYSA-N;135.17;0.75;;;;;DOPC;MDCG;27;1;"MARTINI bead: N0_SP2";;;;;;;0.06;;-4.82;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM444397;MM444397;C=CC1=C(C)C(CC)CC1;ZZBURGAEGQAVGU-UHFFFAOYSA-N;136.24;3.31;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC2_SC3";;;;;;;4.53;;0.32;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM444398;MM444398;C#CC1=NN(C=O)CC1=C;YQTPPLACXGVHGJ-UHFFFAOYSA-N;134.14;;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP2_SP1";;;;;;;-1.06;;-3.82;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM444399;MM444399;N#CCC1=NOC(C=O)C1;ZNEKFHXPKPQNJO-UHFFFAOYSA-N;138.13;0.24;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNa_SP1";;;;;;;0.04;;-2.54;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM444400;MM444400;CC(=CC#N)C1CN1C=O;CMFVLQUWMHXRTD-UHFFFAOYSA-N;136.15;0.3;;;;;DOPC;MDCG;27;0;"MARTINI bead: N0_SP2";;;;;;;0.06;;-2.21;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM444401;MM444401;CCC1CCC(C#N)=C1C;FPDVSTLPULHMSF-UHFFFAOYSA-N;135.21;2.65;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC2_SC5";;;;;;;3.6;;0.34;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM444402;MM444402;C#Cc1nn(C=C)oc1=O;QJDVCRCPRBJKIL-UHFFFAOYSA-N;136.11;-0.08;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP1_SP2";;;;;;;-1.06;;-3.82;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM444403;MM444403;C=CCC1=NC(C=C)CN1;HBPMCATZBIAZPB-UHFFFAOYSA-N;136.2;1.12;;;;;DOPC;MDCG;27;1;"MARTINI bead: SNd_SP1";;;;;;;0.04;;-4.71;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM444404;MM444404;N#CC=C(N)C1CN1C=N;FOHNFCMCJRMIMU-UHFFFAOYSA-N;136.16;-0.36;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1_SP2";;;;;;;-1.06;;-6.08;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM444405;MM444405;C=CC1=C(C)C(CN)CC1;JQXAVZCBWOBATD-UHFFFAOYSA-N;137.23;1.86;;;;;DOPC;MDCG;27;1;"MARTINI bead: SC3_SNd";;;;;;;2.57;;-1.48;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM444406;MM444406;C#Cc1nn(C=N)oc1=O;DZLYVNCXDLLZPH-UHFFFAOYSA-N;137.1;-0.73;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP1_SP3";;;;;;;-1.93;;-4.72;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM444407;MM444407;C=CCC1=NC(C=O)CN1;QCEFSSWYEVORQI-UHFFFAOYSA-N;138.17;0.13;;;;;DOPC;MDCG;27;1;"MARTINI bead: SNd_SP2";;;;;;;-0.24;;-4.26;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM444408;MM444408;CCC1(C)CCC(C)(O)C1;VRGNTLOVNUJDHV-UHFFFAOYSA-N;142.24;2.34;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC1_SNda";;;;;;;2.91;;0.57;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM444409;MM444409;C=CC=C(F)C1CN1C=N;BJEHDXKDGRHTMO-UHFFFAOYSA-N;140.16;1.32;;;;;DOPC;MDCG;27;1;"MARTINI bead: C4_SP2";;;;;;;1.09;;-2.18;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM444410;MM444410;C#Cc1nn(C=O)oc1=O;BLUVWOHIPONHKP-UHFFFAOYSA-N;138.08;-1.14;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP1_SP2";;;;;;;-1.06;;-3.82;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM444411;MM444411;N#CCC1=NC(C#N)CN1;PZWCTUSZHJLABU-UHFFFAOYSA-N;134.14;-0.21;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP1_SP2";;;;;;;-1.06;;-3.82;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM444412;MM444412;NN=CC=C(N)C(F)(F)F;KJVJJGFKNHEULH-UHFFFAOYSA-N;153.11;0.34;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nd_Nd";;;;;;;0.87;;-2.11;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM444413;MM444413;C=CC=C(F)C1CN1C=O;ZUGYNNCXGONHOP-UHFFFAOYSA-N;141.15;0.87;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4_SP2";;;;;;;1.09;;-0.38;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM444414;MM444414;C=CNC1=NCC(C=C)N1;IXZRVPQRAWYZQN-UHFFFAOYSA-N;137.19;0.23;;;;;DOPC;MDCG;27;1;"MARTINI bead: SP1_SP1";;;;;;;-0.79;;-7.1;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM444415;MM444415;C#CC1=CC(C#C)CC1=C;VZEYLVOVSLOFMZ-UHFFFAOYSA-N;128.17;1.76;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC5_SC5";;;;;;;2.41;;0.64;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM444416;MM444416;C=CC1=C(C)C(CF)CC1;NYYGWMINORYFSN-UHFFFAOYSA-N;140.2;2.87;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC3_SC5";;;;;;;3.34;;0.48;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM444417;MM444417;C=NN1CC1C(C)=CC#N;JMTIGBCSKVYPLM-UHFFFAOYSA-N;135.17;0.76;;;;;DOPC;MDCG;27;0;"MARTINI bead: N0_SP2";;;;;;;0.06;;-2.21;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM444418;MM444418;C=CNC1=NCC(C=O)N1;UMKZANPPTMXDKW-UHFFFAOYSA-N;139.16;-0.75;;;;;DOPC;MDCG;27;1;"MARTINI bead: SP1_SP2";;;;;;;-1.06;;-7.14;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM444419;MM444419;C#CC1=CC(C#C)OC1=C;AYPOAHQJILHVNE-UHFFFAOYSA-N;130.15;1.09;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNa_SN0";;;;;;;1.17;;-1.18;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM444420;MM444420;CC1=C(C#N)CCC1CF;QAGZFOOZVWUKAA-UHFFFAOYSA-N;139.17;2.21;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC5_SC5";;;;;;;2.41;;0.64;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM444421;MM444421;C=NN1CC1C(N)=CC#N;YXKUSUBRHPOWKV-UHFFFAOYSA-N;136.16;-0.35;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_SP2";;;;;;;-1.06;;-3.82;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM444422;MM444422;C=CC=CC(C)C(O)CC;XEFGFVHWGLKELH-UHFFFAOYSA-N;140.23;2.14;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda_C1";;;;;;;2.91;;0.57;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM444423;MM444423;CC=C1C=C(CC)C(C)C1;DCINGLUOYMMJOF-UHFFFAOYSA-N;136.24;3.31;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC1_SC3";;;;;;;4.61;;0.31;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM444424;MM444424;CCC1CCC(C#N)=C1N;PPLNWPMYAZXMRJ-UHFFFAOYSA-N;136.2;1.54;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC2_SNd";;;;;;;2.83;;0.62;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM444425;MM444425;C=CC=C(F)C1CN1N=C;LRJVCNBHIKOKKG-UHFFFAOYSA-N;140.16;1.33;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4_SP2";;;;;;;1.09;;-0.38;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM444426;MM444426;C=CCC1=CCC(C=C)O1;YMGUMXMCYDSHRP-UHFFFAOYSA-N;136.19;2.42;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC5_SC5";;;;;;;2.41;;0.64;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM444427;MM444427;CCC1=CC(=CF)CC1C;ILSRIFLOASCYAS-UHFFFAOYSA-N;140.2;3.22;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC1_SC4";;;;;;;4.24;;0.42;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM444428;MM444428;C=C1C=C(C)C(C)C1(C)O;SZKZVVRGZNQADQ-UHFFFAOYSA-N;138.21;1.89;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC2_SNda";;;;;;;2.83;;0.57;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM444429;MM444429;C=NN1CC1C(F)=CC#N;LTZNLKPEKOZDJL-UHFFFAOYSA-N;139.13;0.66;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_SP2";;;;;;;-0.24;;-3.24;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM444430;MM444430;C=CC1CC=C(CC#N)O1;HNEGBJJRVCKRSG-UHFFFAOYSA-N;135.17;1.76;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC5_SNa";;;;;;;1.64;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM444431;MM444431;CC=C1C=C(CN)C(C)C1;IJEVGTSEEKENNA-UHFFFAOYSA-N;137.23;1.86;;;;;DOPC;MDCG;27;1;"MARTINI bead: SC3_SC4";;;;;;;3.9;;0.7;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM444432;MM444432;NC1=C(C=O)CCC1CF;RRDUIVWVUZZIIL-UHFFFAOYSA-N;143.16;0.78;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP1_SC5";;;;;;;0.81;;-0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM444433;MM444433;C#CC=C(C)C1CC1C#N;MAOCSTHMKMNGTR-UHFFFAOYSA-N;131.18;1.73;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4_SN0";;;;;;;2.5;;0.44;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM444434;MM444434;C=CCC1=CCC(C=O)O1;YPKMMOGLBPCAJX-UHFFFAOYSA-N;138.17;1.43;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC5_SNa";;;;;;;1.64;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM444435;MM444435;CC1CC(=CF)C=C1CN;BGXIMMRQCUMICU-UHFFFAOYSA-N;141.19;1.76;;;;;DOPC;MDCG;27;1;"MARTINI bead: SC4_SC4";;;;;;;3.53;;0.69;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM444436;MM444436;N#CC1=C(N)C(CF)CC1;WAVVKDGJPFYODX-UHFFFAOYSA-N;140.16;1.1;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNd_SC5";;;;;;;1.64;;0.02;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM444437;MM444437;C#CC=C(F)C1CC1C=O;KVCOPMQLBDZGTG-UHFFFAOYSA-N;138.14;1.31;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4_SNa";;;;;;;2.2;;0.34;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM444438;MM444438;C=CCC1=CCC(C#N)O1;SXSIKGKCERWKHY-UHFFFAOYSA-N;135.17;1.76;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC5_SN0";;;;;;;1.94;;0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM444439;MM444439;CC(=O)CCC=NN=CN;IHWSHLHJCDAQRE-UHFFFAOYSA-N;141.17;0.33;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_Nd";;;;;;;0.87;;-1.88;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM444440;MM444440;C=CC1=C(C)C(NC)CC1;XQTSBHBLKCFJIL-UHFFFAOYSA-N;137.23;1.87;;;;;DOPC;MDCG;27;1;"MARTINI bead: SNd_SC3";;;;;;;2.57;;-1.3;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM444441;MM444441;C#CC=C(F)C1CN1C=N;SNBYDPHSHARVKU-UHFFFAOYSA-N;138.15;0.76;;;;;DOPC;MDCG;27;1;"MARTINI bead: C5_SP2";;;;;;;0.54;;-2.91;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM444442;MM444442;N#CCC1=CCC(C=O)O1;XQCHTPOWGQTCDX-UHFFFAOYSA-N;137.14;0.77;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNa_SNa";;;;;;;0.87;;-2.22;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM444443;MM444443;C#CCNNC(=N)C(C)=O;UTLNWVQRKHCUKB-UHFFFAOYSA-N;139.16;-0.72;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_P3";;;;;;;-1.1;;-4.2;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM444444;MM444444;CNC1CCC(C#N)=C1C;MEAIOHNXHHCLGN-UHFFFAOYSA-N;136.2;1.21;;;;;DOPC;MDCG;27;1;"MARTINI bead: SNd_SC5";;;;;;;1.64;;-1.48;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM444445;MM444445;C#CC=C(F)C1CN1C=O;CTVFPLYCCCWBOK-UHFFFAOYSA-N;139.13;0.31;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_SP2";;;;;;;0.54;;-1.09;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM444446;MM444446;N#CCC1=CCC(C#N)O1;SPPMXEBMUFJVBD-UHFFFAOYSA-N;134.14;1.1;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNa_SN0";;;;;;;1.17;;-1.18;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM444447;MM444447;C=NNCC(C)(C#N)CC;AWGWAGCGDHRFHK-UHFFFAOYSA-N;139.2;1.13;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4_P1";;;;;;;1.37;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM444448;MM444448;C=CC1=C(C)C(OC)CC1;LZWKTWPRAVPJPG-UHFFFAOYSA-N;138.21;2.3;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNa_SC3";;;;;;;2.57;;0.45;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM444449;MM444449;C#CC=C(F)C1CN1N=C;LGTVIUMDNNAJPJ-UHFFFAOYSA-N;138.15;0.77;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_SP2";;;;;;;0.54;;-1.09;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM444450;MM444450;C=CCC1=COC(C=C)O1;ARMRXBLEDLOPCS-UHFFFAOYSA-N;138.17;1.96;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNa_SNa";;;;;;;0.87;;-2.22;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM444451;MM444451;CC1CC(=NO)C=C1CN;ZLTZTLSUZCEBEX-UHFFFAOYSA-N;140.19;0.74;;;;;DOPC;MDCG;27;1;"MARTINI bead: SNda_SC4";;;;;;;2.2;;-1.46;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM444452;MM444452;COC1CCC(C=O)=C1C;PTUWLDGAKAZXMK-UHFFFAOYSA-N;140.18;1.31;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNa_SNa";;;;;;;0.87;;-2.22;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM444453;MM444453;C#CC1CC1C(C)=CCC;WARPWLXWMRGVDS-UHFFFAOYSA-N;134.22;2.61;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1_SC5";;;;;;;3.68;;0.46;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM444454;MM444454;C=CC1OC=C(CC#N)O1;MWPXMRIDZSSBFV-UHFFFAOYSA-N;137.14;1.3;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNa_SNa";;;;;;;0.87;;-2.22;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM444455;MM444455;CON(C)C=NC(C)=NN;KYXNKHWMFAUIDI-UHFFFAOYSA-N;144.18;-0.2;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_Nd";;;;;;;-0.24;;-3.16;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM444456;MM444456;COC1CCC(C#N)=C1C;NRBDLXKZWHZWDE-UHFFFAOYSA-N;137.18;1.64;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNa_SC5";;;;;;;1.64;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM444457;MM444457;C#CC1NC1C(C)=CCC;LLBDWWFTBOLKEW-UHFFFAOYSA-N;135.21;1.32;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1_SP3";;;;;;;0.94;;0.03;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM444458;MM444458;C=CCC1=COC(C=O)O1;HQLLNVYPLCSCPL-UHFFFAOYSA-N;140.14;0.98;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNa_SP1";;;;;;;0.04;;-2.54;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM444459;MM444459;CC1CC(=NO)C=C1CO;ZLKPWOGXUABBLN-UHFFFAOYSA-N;141.17;0.78;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNda_SC5";;;;;;;1.64;;0.05;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM444460;MM444460;COC1CCC(C=O)=C1N;CVSJUKPXFVJGME-UHFFFAOYSA-N;141.17;0.21;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNa_SP1";;;;;;;0.04;;-2.54;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM444461;MM444461;C#CC1NC1C(C)=CCN;YTQUOLDTFCLEIE-UHFFFAOYSA-N;136.2;-0.14;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_SP3";;;;;;;-1.1;;-6.15;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM444462;MM444462;C=CCC1=COC(C#N)O1;QQAQFNZFCHDOIT-UHFFFAOYSA-N;137.14;1.3;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNa_SNa";;;;;;;0.87;;-2.22;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM444463;MM444463;CCC1=CC(=NO)CC1N;MFNVSPPCKVIFAB-UHFFFAOYSA-N;140.19;0.88;;;;;DOPC;MDCG;27;1;"MARTINI bead: SC5_SNda";;;;;;;1.64;;-1.93;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM444464;MM444464;C=CC1=C(C)C(CC)CO1;AQOGHUPEFVMRFT-UHFFFAOYSA-N;138.21;2.5;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC5_SC5";;;;;;;2.41;;0.64;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM444465;MM444465;C#CC1CC1C(C)=CC#N;VWLCGSCLQFSYPF-UHFFFAOYSA-N;131.18;1.73;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_SC5";;;;;;;2.41;;0.64;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM444466;MM444466;N#CCC1=COC(C=O)O1;FICMSKUWULPNIW-UHFFFAOYSA-N;139.11;0.31;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP1_SNa";;;;;;;0.04;;-2.54;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM444467;MM444467;CN=C1C=C(NN)CC1C;DHNAVRSBHFGIGX-UHFFFAOYSA-N;139.2;0.44;;;;;DOPC;MDCG;27;1;"MARTINI bead: SC5_SNd";;;;;;;1.64;;-3.42;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM444468;MM444468;CCC1COC(C#N)=C1C;QXUHXDQKFSJSGV-UHFFFAOYSA-N;137.18;1.84;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC5_SNa";;;;;;;1.64;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM444469;MM444469;C#CC1NC1C(C)=CC=C;KIDCYFYEOXWWOU-UHFFFAOYSA-N;133.19;1.09;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1_SP3";;;;;;;0.94;;0.03;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM444470;MM444470;N#CCC1=NOC(C=O)O1;COQRROATAUXBFN-UHFFFAOYSA-N;140.1;-0.21;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP1_SP1";;;;;;;-0.79;;-3.13;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM444471;MM444471;CN=C1C=C(NO)CC1C;RACGSUVBKMTPRR-UHFFFAOYSA-N;140.19;0.96;;;;;DOPC;MDCG;27;1;"MARTINI bead: SC5_SNda";;;;;;;1.64;;-3.09;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM444472;MM444472;C=CC1=C(C)C(CN)CO1;VKZCZBJOTFUKNT-UHFFFAOYSA-N;139.2;1.05;;;;;DOPC;MDCG;27;1;"MARTINI bead: SC5_SP1";;;;;;;0.81;;-3.17;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM444473;MM444473;C#CC1OC1C(F)=CC=C;CPEAEPMCAQNSOE-UHFFFAOYSA-N;138.14;1.43;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4_SNa";;;;;;;2.2;;0.34;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM444474;MM444474;C=CCC1=CCN(C=N)C1;ATDWHYBUPRYEPZ-UHFFFAOYSA-N;136.2;1.41;;;;;DOPC;MDCG;27;1;"MARTINI bead: SN0_SP1";;;;;;;0.34;;-4.78;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM444475;MM444475;CC(N=CN(C)C=O)=NN;PWCOUSRTHOXQFX-UHFFFAOYSA-N;142.16;-0.61;;;;;DOPC;MDCG;27;0;"MARTINI bead: P3_Nd";;;;;;;-1.1;;-3.93;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM444476;MM444476;C=CC1=C(C)C(CO)CO1;PWIXYVSGYOZYMB-UHFFFAOYSA-N;140.18;1.09;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC5_SP1";;;;;;;0.81;;-0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM444477;MM444477;C#CC=C(C)C1OC1C#C;FHZOEOLOXIHJAW-UHFFFAOYSA-N;132.16;0.97;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4_SNa";;;;;;;2.2;;0.34;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM444478;MM444478;N=CN1CC=C(CC=O)C1;GFTNLQGSVMCMQB-UHFFFAOYSA-N;138.17;0.42;;;;;DOPC;MDCG;27;1;"MARTINI bead: SP1_SP1";;;;;;;-0.79;;-6.38;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM444479;MM444479;COC1=CC(=NO)CC1C;HFUVICKTORSRBB-UHFFFAOYSA-N;141.17;1.39;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC4_SNda";;;;;;;2.2;;0.49;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM444480;MM444480;CC1=C(C=O)OCC1CO;LRKUZVZIWWCBCJ-UHFFFAOYSA-N;142.15;0.1;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNa_SP1";;;;;;;0.04;;-2.54;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM444481;MM444481;CCC(CC)C1C(C)C1C;AWRZPPPZUPNVSR-UHFFFAOYSA-N;140.27;3.32;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1_SC5";;;;;;;3.68;;0.46;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM444482;MM444482;N#CCC1=CCN(C=N)C1;PWTXGCYSLAMRSI-UHFFFAOYSA-N;135.17;0.75;;;;;DOPC;MDCG;27;1;"MARTINI bead: SP1_SP1";;;;;;;-0.79;;-6.36;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM444483;MM444483;CCC1=CC(NC)=NC1C;VDDRQBNBFLSPRR-UHFFFAOYSA-N;138.21;1.34;;;;;DOPC;MDCG;27;1;"MARTINI bead: SC5_SNd";;;;;;;1.64;;-2.82;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM444484;MM444484;CC1=C(C#N)OCC1CO;UGQBEYLLBYTNKS-UHFFFAOYSA-N;139.15;0.42;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNa_SP1";;;;;;;0.04;;-2.54;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM444485;MM444485;CCC(CN)C1C(C)C1C;XNVBUDMVRMILFD-UHFFFAOYSA-N;141.26;1.87;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_SC5";;;;;;;1.64;;-2.7;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM444486;MM444486;C=CCC1=CCN(C=O)C1;BEQHHRPVWYDKCX-UHFFFAOYSA-N;137.18;0.96;;;;;DOPC;MDCG;27;0;"MARTINI bead: SN0_SP1";;;;;;;0.34;;-1.53;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM444487;MM444487;CC(N=CN(N)C=O)=NN;RFUMDVSWDRXGBT-UHFFFAOYSA-N;143.15;-1.36;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nd_P4";;;;;;;-1.19;;-4.91;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM444488;MM444488;C=CC1=C(C)C(NC)CO1;KSZUHIZOMBTSRM-UHFFFAOYSA-N;139.2;1.06;;;;;DOPC;MDCG;27;1;"MARTINI bead: SP1_SC5";;;;;;;0.81;;-2.12;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM444489;MM444489;CCC(CC)C1C(C)C1N;JXKPOUOZBHHHAA-UHFFFAOYSA-N;141.26;2.02;;;;;DOPC;MDCG;27;1;"MARTINI bead: C1_SNd";;;;;;;2.91;;-0.43;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM444490;MM444490;C=NN=CNCC(=C)C#N;OQKPYYRMVVZAGZ-UHFFFAOYSA-N;136.16;0.3;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_N0";;;;;;;0.34;;-1.53;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM444491;MM444491;CN=C1C=C(CN)C(C)N1;QVPGEOUBYHNOOB-UHFFFAOYSA-N;139.2;-0.11;;;;;DOPC;MDCG;27;1;"MARTINI bead: SNd_SP1";;;;;;;0.04;;-5.48;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM444492;MM444492;C=CC1=C(C)C(OC)CO1;FHHUPOMFTNUMHQ-UHFFFAOYSA-N;140.18;1.49;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNa_SC5";;;;;;;1.64;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM444493;MM444493;CN=C1NOC(=NC)NO1;WWIYNYLRLPLHPG-UHFFFAOYSA-N;144.13;-0.99;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP2_SP2";;;;;;;-1.34;;-4.31;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM444494;MM444494;N#CCC1=CCN(C=O)C1;KHJPWXCONKWPGT-UHFFFAOYSA-N;136.15;0.3;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP1_SP1";;;;;;;-0.79;;-3.13;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM444495;MM444495;CC1N=C(NO)C=C1CN;RTHFPOOCGSBMMA-UHFFFAOYSA-N;141.17;-0.35;;;;;DOPC;MDCG;27;1;"MARTINI bead: SP1_SNd";;;;;;;0.04;;-4.21;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM444496;MM444496;C=CC1=C(C)C(CC)NC1;INVDBLHNIOJKCX-UHFFFAOYSA-N;137.23;1.87;;;;;DOPC;MDCG;27;1;"MARTINI bead: SNd_SN0";;;;;;;1.17;;-4.59;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM444497;MM444497;CCC(CN)C1C(C)C1O;IZAPACYQHXFTME-UHFFFAOYSA-N;143.23;0.6;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_SNda";;;;;;;0.87;;-4.42;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM444498;MM444498;C=CCC1=CCN(N=C)C1;JYMQGIFEMDUCEU-UHFFFAOYSA-N;136.2;1.42;;;;;DOPC;MDCG;27;0;"MARTINI bead: SN0_SP1";;;;;;;0.34;;-1.53;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM444499;MM444499;CN=C1C=C(NC)C(C)N1;PWPGQRJSKSCGCX-UHFFFAOYSA-N;139.2;0.11;;;;;DOPC;MDCG;27;1;"MARTINI bead: SNd_SNd";;;;;;;0.87;;-4.53;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM444500;MM444500;CCC1NCC(C#N)=C1C;VHCHAWGHGPQTSR-UHFFFAOYSA-N;136.2;1.21;;;;;DOPC;MDCG;27;1;"MARTINI bead: SNd_SP1";;;;;;;0.04;;-3.68;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM444501;MM444501;CC1C(O)C1C(CN)CO;POPODWFGGDHEBL-UHFFFAOYSA-N;145.2;-0.82;;;;;DOPC;MDCG;27;1;"MARTINI bead: SNda_P2";;;;;;;-0.24;;-5.44;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM444502;MM444502;CCCC=NOC(C)=NN;WRTNFWCTYCORHQ-UHFFFAOYSA-N;143.19;1.08;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_Nd";;;;;;;0.87;;-1.88;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM444503;MM444503;CC=C1C=C(CN)C(C)O1;OFLMWMGTUUULPC-UHFFFAOYSA-N;139.2;1.19;;;;;DOPC;MDCG;27;1;"MARTINI bead: SC5_SP1";;;;;;;0.81;;-2.64;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM444504;MM444504;C=CC1=C(C)C(CN)NC1;RMAWRRYPHOFPQL-UHFFFAOYSA-N;138.21;0.42;;;;;DOPC;MDCG;27;1;"MARTINI bead: SN0_SP2";;;;;;;0.06;;-5.19;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM444505;MM444505;CCC(CN)C1C(C)C1F;JJSYOMRJKMYZNM-UHFFFAOYSA-N;145.22;1.58;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_SNa";;;;;;;0.87;;-4.68;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM444506;MM444506;C=NN1CC=C(CC#N)C1;CTKBPPLIMPSRLJ-UHFFFAOYSA-N;135.17;0.76;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP1_SP1";;;;;;;-0.79;;-3.13;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM444507;MM444507;C=NN(C)C=NC(C)=NN;PGXAHYJXRYYTGV-UHFFFAOYSA-N;141.18;-0.15;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_Nd";;;;;;;-0.24;;-3.16;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM444508;MM444508;C=CC1=C(C)C(CO)NC1;ZXXULWQWQZFEEP-UHFFFAOYSA-N;139.2;0.45;;;;;DOPC;MDCG;27;1;"MARTINI bead: SN0_SP1";;;;;;;0.34;;-4.35;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM444509;MM444509;CC1C(F)C1C(CN)CN;SLMRNHCTSYABJW-UHFFFAOYSA-N;146.21;0.12;;;;;DOPC;MDCG;27;1;"MARTINI bead: SNa_P3";;;;;;;-1.1;;-6.89;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM444510;MM444510;N=CNC1=CCN(C=N)C1;VLEHLYLFTXJLEB-UHFFFAOYSA-N;138.17;-0.01;;;;;DOPC;MDCG;27;1;"MARTINI bead: SP2_SP1";;;;;;;-1.06;;-7.31;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM444511;MM444511;CCc1cc(=NO)on1C;XZKLSTSHVZXYLB-UHFFFAOYSA-N;142.16;0.47;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC5_SP2";;;;;;;0.54;;-1.09;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM444512;MM444512;C=CC1=C(C)C(CF)NC1;ZSHCXJGWQIQAOQ-UHFFFAOYSA-N;141.19;1.43;;;;;DOPC;MDCG;27;1;"MARTINI bead: SN0_SNda";;;;;;;1.17;;-3.01;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM444513;MM444513;CCC(CC)C1C(N)C1N;XEYUASXWHHQMCV-UHFFFAOYSA-N;142.25;0.71;;;;;DOPC;MDCG;27;1;"MARTINI bead: C1_SP3";;;;;;;0.94;;-1.88;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM444514;MM444514;N=CN1CC=C(NC=O)C1;AMNRFBUELFBHRA-UHFFFAOYSA-N;139.16;-0.46;;;;;DOPC;MDCG;27;1;"MARTINI bead: SP1_SP2";;;;;;;-1.06;;-6.7;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM444515;MM444515;Cn1oc(=NO)cc1CN;OPWFISUNGRLSCV-UHFFFAOYSA-N;143.15;-0.63;;;;;DOPC;MDCG;27;1;"MARTINI bead: SP2_SP1";;;;;;;-1.06;;-5.89;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM444516;MM444516;CC1=C(C=O)CNC1CF;XSJOWGXVYYXFSA-UHFFFAOYSA-N;143.16;0.44;;;;;DOPC;MDCG;27;1;"MARTINI bead: SP2_SNda";;;;;;;-0.24;;-4.57;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM444517;MM444517;CCC(CC)C1C(N)C1O;UJNRXBFMYSNCDA-UHFFFAOYSA-N;143.23;0.74;;;;;DOPC;MDCG;27;1;"MARTINI bead: C1_SP2";;;;;;;1.8;;-0.86;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM444518;MM444518;N=CNC1=CCN(C=O)C1;JIIPMOQWLRRAAV-UHFFFAOYSA-N;139.16;-0.46;;;;;DOPC;MDCG;27;1;"MARTINI bead: SP2_SP1";;;;;;;-1.06;;-7.21;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM444519;MM444519;Cn1oc(=NO)cc1CO;VTERUYOBKGJBOE-UHFFFAOYSA-N;144.13;-0.6;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP2_SNda";;;;;;;-0.24;;-3.31;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM444520;MM444520;NC1=C(C=O)CNC1CO;IWJMCVGDZOYGHV-UHFFFAOYSA-N;142.16;-1.64;;;;;DOPC;MDCG;27;1;"MARTINI bead: SP3_SP1";;;;;;;-1.93;;-6.22;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM444521;MM444521;CCC(CN)C1C(N)C1O;MXPRRQWGNQNFAV-UHFFFAOYSA-N;144.22;-0.71;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_SP2";;;;;;;-0.24;;-5.76;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM444522;MM444522;C=NN1CC=C(NC=N)C1;SMXDPDIGQFDZET-UHFFFAOYSA-N;138.17;;;;;;DOPC;MDCG;27;1;"MARTINI bead: SP1_SP2";;;;;;;-1.06;;-7.17;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM444523;MM444523;C#CC1=NCC(C)(C#N)N1;NFRFXHNDAGTRGO-UHFFFAOYSA-N;133.15;-0.1;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP1_SNd";;;;;;;0.04;;-2.63;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM444524;MM444524;C=CC1=C(C)C(CC)OC1;LCGMUNULVQFJKL-UHFFFAOYSA-N;138.21;2.3;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNa_SC5";;;;;;;1.64;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM444525;MM444525;NCC(CO)C1C(N)C1O;YAVBFHQZEKGIBS-UHFFFAOYSA-N;146.19;-2.13;;;;;DOPC;MDCG;27;1;"MARTINI bead: P2_SP2";;;;;;;-1.34;;-6.57;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM444526;MM444526;C=COC1=CCN(C=N)C1;SRBMNQGXYKMTIU-UHFFFAOYSA-N;138.17;0.95;;;;;DOPC;MDCG;27;1;"MARTINI bead: SNa_SP1";;;;;;;0.04;;-5.12;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM444527;MM444527;CCc1cc(=NO)on1N;XJXRDLNBTBUHOY-UHFFFAOYSA-N;143.15;-0.35;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC5_SP2";;;;;;;0.54;;-1.09;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM444528;MM444528;CCC1OCC(C=O)=C1C;AFMGYMDOSITFCZ-UHFFFAOYSA-N;140.18;1.31;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNa_SP1";;;;;;;0.04;;-2.54;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM444529;MM444529;NCC(CF)C1C(N)C1O;XCKOXMYJRRLHKQ-UHFFFAOYSA-N;148.18;-1.15;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1_SP2";;;;;;;-1.06;;-6.36;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM444530;MM444530;C=COC1=CCN(C=O)C1;HUWCWHAKRXQRHQ-UHFFFAOYSA-N;139.15;0.5;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNa_SP1";;;;;;;0.04;;-2.54;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM444531;MM444531;C#CC(=NOC)NN=CC;OTPIIYLYPISANS-UHFFFAOYSA-N;139.16;0.17;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_Nd";;;;;;;0.87;;-1.88;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM444532;MM444532;CCC1OCC(C#N)=C1C;GUOUTAIOQOFSCU-UHFFFAOYSA-N;137.18;1.64;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNa_SP1";;;;;;;0.04;;-2.54;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM444533;MM444533;CCC(CC)C1C(N)C1F;KIYDQOZKCMPDOG-UHFFFAOYSA-N;145.22;1.72;;;;;DOPC;MDCG;27;1;"MARTINI bead: C1_SP1";;;;;;;2.08;;0.15;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM444534;MM444534;C=COC1=CCN(N=C)C1;ITBQEKINEAJFJV-UHFFFAOYSA-N;138.17;0.96;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNa_SP1";;;;;;;0.04;;-2.54;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM444535;MM444535;Nn1oc(=NO)cc1CO;JWZATQOWUDMPFA-UHFFFAOYSA-N;145.12;-1.42;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP2_SNda";;;;;;;-0.24;;-3.31;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM444536;MM444536;C=CC1=C(C)C(CN)OC1;LQDCQYVRJYDAQK-UHFFFAOYSA-N;139.2;0.85;;;;;DOPC;MDCG;27;1;"MARTINI bead: SC5_SP1";;;;;;;0.81;;-2.51;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM444537;MM444537;NCC(CN)C1C(N)C1F;FHXRAUNLFMIZSV-UHFFFAOYSA-N;147.2;-1.18;;;;;DOPC;MDCG;27;1;"MARTINI bead: P3_SP1";;;;;;;-1.93;;-7.42;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM444538;MM444538;C#CCC1=CCC(C=C)C1;YRFLZYANLFVGIE-UHFFFAOYSA-N;132.21;2.53;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC3_SC4";;;;;;;3.9;;0.47;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM444539;MM444539;CON=CNC(C=O)=CN;ZGYQNLGVWRVDQO-UHFFFAOYSA-N;143.15;-0.84;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_P2";;;;;;;-1.34;;-4.31;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM444540;MM444540;CC1=C(C=O)COC1CO;QLJIRZXXVVEUMH-UHFFFAOYSA-N;142.15;-0.11;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP1_SP1";;;;;;;-0.79;;-3.13;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM444541;MM444541;CCC(CC)C1C(O)C1F;DDOYMWWVFBPCMU-UHFFFAOYSA-N;146.21;1.75;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1_SP1";;;;;;;2.08;;0.48;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM444542;MM444542;C#CCC1=CCC(C=O)C1;LEZWCNJUSMTILU-UHFFFAOYSA-N;134.18;1.55;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNa_SC4";;;;;;;2.2;;0.34;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM444543;MM444543;CCc1cc(=NO)on1O;VPNKVLQXJBNZRE-UHFFFAOYSA-N;144.13;0.17;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC5_SP2";;;;;;;0.54;;-1.09;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM444544;MM444544;CC1=C(C#N)COC1CO;KGEKXEYYSTWNTB-UHFFFAOYSA-N;139.15;0.22;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP1_SP1";;;;;;;-0.79;;-3.13;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM444545;MM444545;CCC(NC)C1C(C)C1N;LZBCNZKVZWAWKM-UHFFFAOYSA-N;142.25;0.58;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_SNd";;;;;;;0.87;;-5.21;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM444546;MM444546;C#CCC1=CCC(C#N)C1;MWFXPSWXWAJMCG-UHFFFAOYSA-N;131.18;1.87;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC4_SN0";;;;;;;2.5;;0.44;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM444547;MM444547;C=NN=CN=C(NC)OC;ACYLHBWEOZBRHU-UHFFFAOYSA-N;142.16;-0.15;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_N0";;;;;;;0.34;;-1.53;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM444548;MM444548;CCC1OCC(C=O)=C1N;FZCFDPRAOJJDCV-UHFFFAOYSA-N;141.17;0.21;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNa_SP2";;;;;;;-0.24;;-3.24;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM444549;MM444549;CCC(NC)C1C(N)C1N;YTFULJSHXFWWSG-UHFFFAOYSA-N;143.23;-0.73;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_SP3";;;;;;;-1.1;;-6.6;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM444550;MM444550;C#CCC1=COC(C=C)C1;GHCKFDOVAIWOEA-UHFFFAOYSA-N;134.18;1.87;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC5_SN0";;;;;;;1.94;;0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM444551;MM444551;C=NNC(C)C1(C#N)CC1;XNYYTEFFTUYTSK-UHFFFAOYSA-N;137.19;0.88;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nd_SN0";;;;;;;1.17;;-1.04;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM444552;MM444552;CCC1OCC(C#N)=C1N;INTJXFYAXBNENU-UHFFFAOYSA-N;138.17;0.53;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNa_SP2";;;;;;;-0.24;;-3.24;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM444553;MM444553;CCC(NC)C1C(N)C1O;OVYSGADLIMBRHG-UHFFFAOYSA-N;144.22;-0.7;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_SP2";;;;;;;-0.24;;-5.71;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM444554;MM444554;C#CCC1=COC(C=O)C1;RMCSKHQWEUBVLK-UHFFFAOYSA-N;136.15;0.88;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNa_SN0";;;;;;;1.17;;-1.18;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM444555;MM444555;CNc1cc(=NO)on1C;KDIPTNIEXUFTSM-UHFFFAOYSA-N;143.15;-0.05;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNd_SP2";;;;;;;-0.24;;-3.16;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM444556;MM444556;CCN1CCC(C#N)=C1C;CYVUGYOPSCMYDF-UHFFFAOYSA-N;136.2;1.51;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNd_SP1";;;;;;;0.04;;-2.63;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM444557;MM444557;CNC(CO)C1C(N)C1O;ZSHSIFCNBGQGPU-UHFFFAOYSA-N;146.19;-2.12;;;;;DOPC;MDCG;27;1;"MARTINI bead: P2_SP2";;;;;;;-1.34;;-6.22;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM444558;MM444558;C#CCC1=COC(C#N)C1;VIVUUKZSEBTQTP-UHFFFAOYSA-N;133.15;1.21;;;;;DOPC;MDCG;27;0;"MARTINI bead: SN0_SNa";;;;;;;1.17;;-1.18;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM444559;MM444559;NN=c1ccoc(=O)cn1;GLPBOBGCFKXKEL-UHFFFAOYSA-N;139.11;-1.19;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP1_SP2";;;;;;;-1.06;;-3.82;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM444560;MM444560;C#CC1=C(C)C(CC)CC1;MFCOBSJEDPSFDU-UHFFFAOYSA-N;134.22;2.76;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC2_SC5";;;;;;;3.6;;0.34;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM444561;MM444561;CNC(CO)C1C(N)C1F;QRWHKMKBFWFGKT-UHFFFAOYSA-N;148.18;-1.14;;;;;DOPC;MDCG;27;1;"MARTINI bead: P2_SP1";;;;;;;-1.06;;-5.78;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM444562;MM444562;C#CCC1=NNC(C=C)C1;PRSOGSWTWHHGSR-UHFFFAOYSA-N;134.18;0.91;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNd_SP1";;;;;;;0.04;;-2.63;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM444563;MM444563;CNc1cc(=NO)on1N;OXRHZGPMBXMABT-UHFFFAOYSA-N;144.13;-0.87;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNd_SP2";;;;;;;-0.24;;-3.16;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM444564;MM444564;C#CC1=C(C)C(CN)CC1;OCEXBCBQBXHTPU-UHFFFAOYSA-N;135.21;1.3;;;;;DOPC;MDCG;27;1;"MARTINI bead: SC5_SNd";;;;;;;1.64;;-2.66;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM444565;MM444565;COC(CO)C1C(C)C1C;CISGGFRJLIZZQH-UHFFFAOYSA-N;144.21;0.9;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_SC5";;;;;;;0.54;;-1.09;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM444566;MM444566;C=COC=NOC(C)=NN;YUIIUTZGZQEWQU-UHFFFAOYSA-N;143.15;0.4;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nd_Na";;;;;;;0.87;;-1.88;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM444567;MM444567;C=CC1C=CC(=NN=C)C1;LGACUDSGAIGPBX-UHFFFAOYSA-N;134.18;1.81;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC4_SC5";;;;;;;2.97;;0.45;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM444568;MM444568;C#CCC(C#N)=NN(C)C;LPGURILWEPCXGU-UHFFFAOYSA-N;135.17;0.45;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_N0";;;;;;;0.34;;-1.53;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM444569;MM444569;CCC(OC)C1C(N)C1N;QUEOVRSZCQANJL-UHFFFAOYSA-N;144.22;-0.3;;;;;DOPC;MDCG;27;1;"MARTINI bead: Na_SP3";;;;;;;-1.1;;-6.21;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM444570;MM444570;C#CCC=NOC(C)=NN;QBVCQDUMMNPYJZ-UHFFFAOYSA-N;139.16;0.3;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nd_Na";;;;;;;0.87;;-1.88;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM444571;MM444571;CNc1cc(=NO)on1O;KZWOTSFUKGQCSQ-UHFFFAOYSA-N;145.12;-0.35;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNd_SP2";;;;;;;-0.24;;-3.16;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM444572;MM444572;C#CC1=C(C)C(CF)CC1;XUQLTHCTIKSMMI-UHFFFAOYSA-N;138.19;2.32;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC5_SC5";;;;;;;2.41;;0.64;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM444573;MM444573;C#CCC1=NOC(C=C)C1;AAPULGXKNOBWBF-UHFFFAOYSA-N;135.17;1.34;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNa_SN0";;;;;;;1.17;;-1.18;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM444574;MM444574;COC(CO)C1C(N)C1N;IOWJPYVDLGQHJS-UHFFFAOYSA-N;146.19;-1.72;;;;;DOPC;MDCG;27;1;"MARTINI bead: P2_SP3";;;;;;;-2.2;;-6.91;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM444575;MM444575;C=COC1=NC(=NN)C=C1;MVUGKJKPPYQOHS-UHFFFAOYSA-N;137.14;0.39;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNd_SC5";;;;;;;1.64;;0.02;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM444576;MM444576;C#CC1=C(C)C(NC)CC1;UQLZRIGPISXOPZ-UHFFFAOYSA-N;135.21;1.32;;;;;DOPC;MDCG;27;1;"MARTINI bead: SNd_SC5";;;;;;;1.64;;-2.35;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM444577;MM444577;CC=CC=NOC(C)=NN;PRKUHLRWDWSKMO-UHFFFAOYSA-N;141.17;0.86;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_Nd";;;;;;;0.87;;-1.88;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM444578;MM444578;CCC(OC)C1C(N)C1F;NIZLACWYZQWXMB-UHFFFAOYSA-N;147.19;0.71;;;;;DOPC;MDCG;27;1;"MARTINI bead: Na_SP1";;;;;;;0.04;;-3.75;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM444579;MM444579;COc1cc(=NO)on1C;RHPSSFTYOLVBIY-UHFFFAOYSA-N;144.13;-0.08;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNa_SP2";;;;;;;-0.24;;-3.24;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM444580;MM444580;C#CC1=C(C)C(OC)CC1;IBXDILOASFGCDG-UHFFFAOYSA-N;136.19;1.74;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNa_SC5";;;;;;;1.64;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM444581;MM444581;C#CCC1=NOC(C#N)C1;HMVGSDPPAWJETL-UHFFFAOYSA-N;134.14;0.68;;;;;DOPC;MDCG;27;0;"MARTINI bead: SN0_SP1";;;;;;;0.34;;-1.53;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM444582;MM444582;CCC(OC)C1C(O)C1O;BWEDFUOWXLIKMJ-UHFFFAOYSA-N;146.19;-0.24;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_SP2";;;;;;;-0.24;;-3.24;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM444583;MM444583;C=CNC1=NC(=NC)C=N1;UTPUFNRCHHXWDI-UHFFFAOYSA-N;136.16;0.19;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP1_SNd";;;;;;;0.04;;-2.63;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM444584;MM444584;C#CC1=C(C)C(CC)CO1;BIIDKLXODOARBV-UHFFFAOYSA-N;136.19;1.95;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC5_SNa";;;;;;;1.64;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM444585;MM444585;CN(C=N)N=COC=NN;NQAOJASXNHPGLL-UHFFFAOYSA-N;143.15;-0.61;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_P2";;;;;;;-1.34;;-4.31;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM444586;MM444586;CCC(OC)C1C(O)C1F;AIYPFEHDJPUQGC-UHFFFAOYSA-N;148.18;0.74;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_SP1";;;;;;;0.04;;-2.54;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM444587;MM444587;COc1cc(=NO)on1N;OXYMOKQVKPCWPP-UHFFFAOYSA-N;145.12;-0.91;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNa_SP2";;;;;;;-0.24;;-3.24;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM444588;MM444588;C#CC1=C(C)C(CO)CO1;MPDLETCMKUMXKE-UHFFFAOYSA-N;138.17;0.53;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNa_SP1";;;;;;;0.04;;-2.54;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM444589;MM444589;C#CCC1=CCC(C=C)O1;YIYGBPTWSQVZIJ-UHFFFAOYSA-N;134.18;1.87;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC5_SNa";;;;;;;1.64;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM444590;MM444590;COC(OC)C1C(N)C1N;IUSWSZPAKINXPC-UHFFFAOYSA-N;146.19;-1.11;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1_SP3";;;;;;;-1.93;;-6.65;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM444591;MM444591;C=CC1=CC(=NN)CC1C;BNCLBCOLXRVTOK-UHFFFAOYSA-N;136.2;1.45;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNd_SC2";;;;;;;2.83;;0.62;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM444592;MM444592;C#CC1=C(C)C(CC)NC1;YVCXDODMKWLVDQ-UHFFFAOYSA-N;135.21;1.32;;;;;DOPC;MDCG;27;1;"MARTINI bead: SNd_SP1";;;;;;;0.04;;-5.59;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM444593;MM444593;C#CCC1=CCC(C=O)O1;ZPTWMYMOPZHMLZ-UHFFFAOYSA-N;136.15;0.88;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNa_SNa";;;;;;;0.87;;-2.22;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM444594;MM444594;COC(OC)C1C(N)C1F;DDZKINHUKONFKQ-UHFFFAOYSA-N;149.17;-0.1;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1_SP1";;;;;;;-0.79;;-4.27;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM444595;MM444595;CCc1nc(=NC)on1C;GZJJUWSUCIJJAA-UHFFFAOYSA-N;141.17;0.11;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNa_SP2";;;;;;;-0.24;;-3.24;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM444596;MM444596;C#CC1=C(C)C(CN)NC1;RNXCAIJCVCXXIQ-UHFFFAOYSA-N;136.2;-0.13;;;;;DOPC;MDCG;27;1;"MARTINI bead: SP1_SP2";;;;;;;-1.06;;-6.32;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM444597;MM444597;C#CCC1=CCC(C#N)O1;GPYZTXNGJTVDFB-UHFFFAOYSA-N;133.15;1.21;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNa_SN0";;;;;;;1.17;;-1.18;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM444598;MM444598;CCN(CC)C1C(N)C1N;MOOKWCAPSQQAMA-UHFFFAOYSA-N;143.23;-0.64;;;;;DOPC;MDCG;27;1;"MARTINI bead: C5_SP3";;;;;;;-0.33;;-3.38;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM444599;MM444599;CCC12C=CC(=O)CC1N2;HIXAXQSSENFTFM-UHFFFAOYSA-N;137.18;0.64;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNd_SNa";;;;;;;0.87;;-1.88;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM444600;MM444600;C#CC1=C(C)C(CO)NC1;ILKSWLTXMYSGHS-UHFFFAOYSA-N;137.18;-0.1;;;;;DOPC;MDCG;27;1;"MARTINI bead: SP1_SP1";;;;;;;-0.79;;-5.37;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM444601;MM444601;C#CCC1=COC(C=C)O1;YWUXDSAEAPJQOT-UHFFFAOYSA-N;136.15;1.41;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNa_SNa";;;;;;;0.87;;-2.22;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM444602;MM444602;CCN(CC)C1C(N)C1O;HTOSWWLKIMISNS-UHFFFAOYSA-N;144.22;-0.6;;;;;DOPC;MDCG;27;1;"MARTINI bead: C5_SP2";;;;;;;0.54;;-2.43;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM444603;MM444603;CCc1nc(=NO)on1C;CDXQPROFKCSCMK-UHFFFAOYSA-N;143.15;-0.13;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNa_SP2";;;;;;;-0.24;;-3.24;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM444604;MM444604;C#CC1=C(C)C(CC)OC1;TUCYXGGWWVEGBX-UHFFFAOYSA-N;136.19;1.74;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNa_SN0";;;;;;;1.17;;-1.18;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM444605;MM444605;C#CCC1=COC(C=O)O1;QRBWAMNJZCPDFS-UHFFFAOYSA-N;138.12;0.42;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP1_SNa";;;;;;;0.04;;-2.54;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM444606;MM444606;CC1C(C(CN)CO)N1C;DDPLVFOGHOAMJD-UHFFFAOYSA-N;144.22;-0.74;;;;;DOPC;MDCG;27;1;"MARTINI bead: SNd_P2";;;;;;;-0.24;;-5.25;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM444607;MM444607;C=CC(CC)C1NC1C=O;JCYWXLUDEDRODF-UHFFFAOYSA-N;139.2;0.74;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1_SP2";;;;;;;1.8;;0.41;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM444608;MM444608;C#CC1=C(C)C(CN)OC1;BGORVLSGNPATOL-UHFFFAOYSA-N;137.18;0.29;;;;;DOPC;MDCG;27;1;"MARTINI bead: SN0_SP1";;;;;;;0.34;;-3.55;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM444609;MM444609;C#CCC1=COC(C#N)O1;XYYIBVVSEJNHHZ-UHFFFAOYSA-N;135.12;0.75;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNa_SNa";;;;;;;0.87;;-2.22;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM444610;MM444610;CCC(NC)C1C(C)N1C;XQQHBLJIKIBNGA-UHFFFAOYSA-N;142.25;0.69;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_SNd";;;;;;;0.87;;-4.86;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM444611;MM444611;CC=NOCCC#CC=O;YIWVDONZOIVUCJ-UHFFFAOYSA-N;139.15;0.6;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_C5";;;;;;;1.64;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM444612;MM444612;C=CC1CCC(CC)=C1C;XQDYPXHTZJNILO-UHFFFAOYSA-N;136.24;3.31;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC1_SC4";;;;;;;4.24;;0.42;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM444613;MM444613;C#CCC1=NOC(C=C)O1;KBXKNSSPEFSOCN-UHFFFAOYSA-N;137.14;0.88;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNa_SNa";;;;;;;0.87;;-2.22;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM444614;MM444614;Nc1cnn(N)c1F;JEFVKPGUBKIJJC-UHFFFAOYSA-N;116.1;-0.68;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP1_SNda";;;;;;;0.04;;-2.73;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM444615;MM444615;Cn1oc(=NO)nc1CO;FQKLWQGMPXOXDS-UHFFFAOYSA-N;145.12;-1.2;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP2_SP1";;;;;;;-1.06;;-3.82;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM444616;MM444616;C=CC1CCC(CN)=C1C;DBTVHXPYURVXRI-UHFFFAOYSA-N;137.23;1.86;;;;;DOPC;MDCG;27;1;"MARTINI bead: SNd_SC4";;;;;;;2.2;;-1.66;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM444617;MM444617;C#CCC1=NOC(C=O)O1;DXNUWEAJLOBHEJ-UHFFFAOYSA-N;139.11;-0.11;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP1_SNa";;;;;;;0.04;;-2.54;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM444618;MM444618;C=CC(CC)C1C(C)C1C;JHKQKEXSLPOMSI-UHFFFAOYSA-N;138.25;3.1;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1_SC5";;;;;;;3.68;;0.46;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM444619;MM444619;CC=NNC=NOCCC;FFARKOIEWZCSRH-UHFFFAOYSA-N;143.19;0.95;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_Nd";;;;;;;1.64;;0.02;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM444620;MM444620;C#CC=NNC(N)=CC=O;YGBYRHMQYRHMCU-UHFFFAOYSA-N;137.14;-0.81;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_P2";;;;;;;0.54;;-1.09;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM444621;MM444621;C#CCC1=CCN(C=N)C1;LQLZUOPLZSBHIO-UHFFFAOYSA-N;134.18;0.86;;;;;DOPC;MDCG;27;1;"MARTINI bead: SP1_SP1";;;;;;;-0.79;;-6.37;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM444622;MM444622;CCC(C=O)C1C(C)C1C;DYVSACGQNJCHLT-UHFFFAOYSA-N;140.23;2.11;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_SC5";;;;;;;2.41;;0.64;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM444623;MM444623;CCc1nc(=NC)on1N;URBPIKIECVRNQV-UHFFFAOYSA-N;142.16;-0.72;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNa_SP2";;;;;;;-0.24;;-3.24;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM444624;MM444624;CCC1=C(C)C(C=O)CC1;JCEUFSLHAFVVLP-UHFFFAOYSA-N;138.21;2.32;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC1_SNa";;;;;;;2.91;;0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM444625;MM444625;C#CCC1=CCN(C=O)C1;HSFBWLAXQKOLFV-UHFFFAOYSA-N;135.17;0.41;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP1_SP1";;;;;;;-0.79;;-3.13;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM444626;MM444626;CCC(C#N)C1C(C)C1C;LPPUNDSWKDIFTD-UHFFFAOYSA-N;137.23;2.44;;;;;DOPC;MDCG;27;0;"MARTINI bead: N0_SC5";;;;;;;1.94;;0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM444627;MM444627;CON1C=NC(=NN)CC1;JAIHQMQUDCWBHZ-UHFFFAOYSA-N;142.16;-0.45;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP1_SP2";;;;;;;-1.06;;-3.82;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM444628;MM444628;CCC1=C(C)C(C#N)CC1;ZGTMQIJMZYYGKF-UHFFFAOYSA-N;135.21;2.65;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC1_SN0";;;;;;;3.21;;0.46;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM444629;MM444629;C#CCC1=CCN(N=C)C1;PRZURGJKQUBEAX-UHFFFAOYSA-N;134.18;0.87;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP1_SP1";;;;;;;-0.79;;-3.13;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM444630;MM444630;C=CC(CN)C1C(C)C1C;KBJRRCKJHOJDBX-UHFFFAOYSA-N;139.24;1.65;;;;;DOPC;MDCG;27;1;"MARTINI bead: SC5_Nd";;;;;;;1.64;;-2.66;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM444631;MM444631;NN=C1CCN(C=O)C=N1;AKVPLQYFZHAMQT-UHFFFAOYSA-N;140.15;-0.85;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP2_SP2";;;;;;;-1.34;;-4.31;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM444632;MM444632;CC1=C(CO)CCC1C#N;OEMOHXIFOOALCE-UHFFFAOYSA-N;137.18;1.23;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNda_SN0";;;;;;;1.17;;-1.13;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM444633;MM444633;C#CC1CC=C(CCC)C1;VZCQTOSHERKXOM-UHFFFAOYSA-N;134.22;2.76;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC1_SC5";;;;;;;3.68;;0.46;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM444634;MM444634;C=NNC(C)=NC(C)C;FLIUNBJXDOEMJA-UHFFFAOYSA-N;127.19;1.02;;;;;DOPC;MDCG;27;0;"MARTINI bead: C3_P1";;;;;;;1.74;;0.32;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM444635;MM444635;C=NN1C=NC(=NN)CC1;HIXNUZXJSRHMCX-UHFFFAOYSA-N;139.16;-0.39;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP2_SP1";;;;;;;-1.06;;-3.82;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM444636;MM444636;C=CC1CCC(OC)=C1C;NLIGMCBFAWRDKK-UHFFFAOYSA-N;138.21;2.5;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC4_SC4";;;;;;;3.53;;0.53;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM444637;MM444637;C#CC1CC=C(CCN)C1;MUBLVVINBVUJSF-UHFFFAOYSA-N;135.21;1.3;;;;;DOPC;MDCG;27;1;"MARTINI bead: SNd_SC5";;;;;;;1.64;;-2.66;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM444638;MM444638;CC1C(C)C1C(C#N)CO;ACINISKPNZGJDU-UHFFFAOYSA-N;139.2;1.02;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC5_P2";;;;;;;0.54;;-1.09;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM444639;MM444639;CCCC(O)C(C)C;RGRUUTLDBCWYBL-UHFFFAOYSA-N;116.2;1.8;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda_C3";;;;;;;2.57;;0.44;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM444640;MM444640;COC1=C(C)C(C=O)CC1;JAOUBFGBLCBLLE-UHFFFAOYSA-N;140.18;1.52;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC4_SNa";;;;;;;2.2;;0.34;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM444641;MM444641;C#CC1CC=C(OCC)C1;CRPBSHAMGLIGBM-UHFFFAOYSA-N;136.19;1.95;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC4_SC5";;;;;;;2.97;;0.45;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM444642;MM444642;C=CC(CC)C1C(C)C1N;ZXXRYMOHTFBXGV-UHFFFAOYSA-N;139.24;1.79;;;;;DOPC;MDCG;27;1;"MARTINI bead: C1_SNd";;;;;;;2.91;;-0.42;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM444643;MM444643;CC1CC2CC1(O)C2;KMJWLSDGJQYMKO-UHFFFAOYSA-N;112.17;1.17;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC4_SNda";;;;;;;2.2;;0.49;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM444644;MM444644;COC1=C(C)C(C#N)CC1;GTEHCGLEYRPSIY-UHFFFAOYSA-N;137.18;1.84;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC4_SN0";;;;;;;2.5;;0.44;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM444645;MM444645;C#CC1CC(CCC)=CO1;OTHIGVUTDIROKU-UHFFFAOYSA-N;136.19;2.09;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC4_SNa";;;;;;;2.2;;0.34;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM444646;MM444646;C=CC(CN)C1C(C)C1N;OAEXRTNUYKBCSP-UHFFFAOYSA-N;140.23;0.34;;;;;DOPC;MDCG;27;1;"MARTINI bead: SNd_Nd";;;;;;;0.87;;-5.12;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM444647;MM444647;C=CCN1CC(=O)C1;HDTDAYSTBMQJFI-UHFFFAOYSA-N;111.14;0.06;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNd_SP3";;;;;;;-1.1;;-3.93;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM444648;MM444648;C=CC1COC(CC)=C1C;DCVKZILJTURGEY-UHFFFAOYSA-N;138.21;2.5;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC4_SC5";;;;;;;2.97;;0.45;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM444649;MM444649;C#CC1CC(CCN)=CO1;HIYVONDURDIWHO-UHFFFAOYSA-N;137.18;0.64;;;;;DOPC;MDCG;27;1;"MARTINI bead: SP1_SNa";;;;;;;0.04;;-5.28;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM444650;MM444650;C#CC(C)(C#C)NN=C;ZGRIYUUZVILLQM-UHFFFAOYSA-N;120.16;0.22;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_P1";;;;;;;0.81;;-0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM444651;MM444651;CCC(C)C(O)CC;NZPGYIBESMMUFU-UHFFFAOYSA-N;116.2;1.8;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1_Nda";;;;;;;2.91;;0.57;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM444652;MM444652;C=CC1COC(CN)=C1C;REAVIUCHKJQPEQ-UHFFFAOYSA-N;139.2;1.05;;;;;DOPC;MDCG;27;1;"MARTINI bead: SP1_SC5";;;;;;;0.81;;-1.93;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM444653;MM444653;CCOC(=NN)C(C)OC;VCUSRRAOMVHEDR-UHFFFAOYSA-N;146.19;0.33;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda_Na";;;;;;;0.87;;-1.99;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM444654;MM444654;CCC(C=O)C1C(C)C1O;AMCDCJVYYKDTMN-UHFFFAOYSA-N;142.2;0.84;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_SNda";;;;;;;1.64;;0.05;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM444655;MM444655;C=NN1CCC(=O)C1;GYNDSNUVSJLFIT-UHFFFAOYSA-N;112.13;-0.12;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP1_SP2";;;;;;;-1.06;;-3.82;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM444656;MM444656;C=CC1COC(CO)=C1C;FZADBGWGNDBKLT-UHFFFAOYSA-N;140.18;1.09;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNda_SC5";;;;;;;1.64;;0.05;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM444657;MM444657;C#CC1CC(CCC)=NO1;BLIAKHOALSFTBZ-UHFFFAOYSA-N;137.18;1.56;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC5_SNa";;;;;;;1.64;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM444658;MM444658;CCC(C#N)C1C(C)C1O;WCZMZRKYJOEHAH-UHFFFAOYSA-N;139.2;1.16;;;;;DOPC;MDCG;27;0;"MARTINI bead: N0_SNda";;;;;;;1.17;;-1.13;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM444659;MM444659;CNN=C1C=CCC1;OYXJDJGFOPSRDY-UHFFFAOYSA-N;110.16;0.91;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNd_SC5";;;;;;;1.64;;0.02;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM444660;MM444660;CCC1=C(C)C(C=O)CO1;OEGZBSLDZLMQDB-UHFFFAOYSA-N;140.18;1.52;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC4_SNa";;;;;;;2.2;;0.34;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM444661;MM444661;C#CC1CNC(CCC)=N1;ZABACEXMUBSIJM-UHFFFAOYSA-N;136.2;0.79;;;;;DOPC;MDCG;27;1;"MARTINI bead: SC5_SP1";;;;;;;0.81;;-1.65;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM444662;MM444662;C=CC(CN)C1C(C)C1O;DKYMXGYWTBAIAT-UHFFFAOYSA-N;141.21;0.37;;;;;DOPC;MDCG;27;1;"MARTINI bead: SNda_Nd";;;;;;;0.87;;-4.38;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM444663;MM444663;NN=c1nc(CF)n(O)o1;OXHLECAALDIWHW-UHFFFAOYSA-N;148.1;-1.04;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNa_SP3";;;;;;;-1.1;;-4.2;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM444664;MM444664;CCC1=C(C)C(C#N)CO1;IXPDUUPOMQSFFG-UHFFFAOYSA-N;137.18;1.84;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC4_SN0";;;;;;;2.5;;0.44;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM444665;MM444665;C#CC1OC=C(CCC)O1;DBUGTVVHBJALBL-UHFFFAOYSA-N;138.17;1.63;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNa_SNa";;;;;;;0.87;;-2.22;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM444666;MM444666;C=CC(CO)C1C(C)C1O;ZAKOOKIZFDHDMZ-UHFFFAOYSA-N;142.2;0.41;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNda_Nda";;;;;;;0.87;;-2.07;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM444667;MM444667;CN=c1nc(NC)n(C)o1;RIENUZPBHPFUSV-UHFFFAOYSA-N;142.16;-0.41;;;;;DOPC;MDCG;27;1;"MARTINI bead: SNda_SP2";;;;;;;-0.24;;-8.11;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM444668;MM444668;CC1=C(CO)OCC1C#N;CYLVAWJLYVJMJA-UHFFFAOYSA-N;139.15;0.42;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNda_SN0";;;;;;;1.17;;-1.13;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM444669;MM444669;C#CC1CC=C(CC=C)C1;FIXHZTGIIPXHQK-UHFFFAOYSA-N;132.21;2.53;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC3_SC5";;;;;;;3.34;;0.48;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM444670;MM444670;C=CC(CN)C1C(C)C1F;NWUOMOAGVJYSTH-UHFFFAOYSA-N;143.21;1.35;;;;;DOPC;MDCG;27;1;"MARTINI bead: SNa_Nd";;;;;;;0.87;;-4.64;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM444671;MM444671;CNc1nc(=NN)on1C;DLFCCFVECDNSQK-UHFFFAOYSA-N;143.15;-1.17;;;;;DOPC;MDCG;27;1;"MARTINI bead: SNda_SP3";;;;;;;-1.1;;-5.08;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM444672;MM444672;C=CC1NCC(CC)=C1C;RLTRCBVCJZMAGL-UHFFFAOYSA-N;137.23;1.87;;;;;DOPC;MDCG;27;1;"MARTINI bead: SN0_SNd";;;;;;;1.17;;-3.89;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM444673;MM444673;C#CC1CC=C(CC=O)C1;MMVYKJIIHIQXFP-UHFFFAOYSA-N;134.18;1.55;;;;;DOPC;MDCG;27;0;"MARTINI bead: SN0_SC5";;;;;;;1.94;;0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM444674;MM444674;C=CC(CC)C1C(N)C1N;BDDYETYKHXBWHZ-UHFFFAOYSA-N;140.23;0.48;;;;;DOPC;MDCG;27;1;"MARTINI bead: C1_SP3";;;;;;;0.94;;-1.87;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM444675;MM444675;CN=c1nc(OC)n(C)o1;MYDTVKCZCKHQAX-UHFFFAOYSA-N;143.15;-0.45;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNa_SP2";;;;;;;-0.24;;-3.24;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM444676;MM444676;C=CC1NCC(CN)=C1C;OGMCCBHCVHXGDN-UHFFFAOYSA-N;138.21;0.42;;;;;DOPC;MDCG;27;1;"MARTINI bead: SP2_SNd";;;;;;;-0.24;;-5.73;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM444677;MM444677;C#CC1CC=C(CC#N)C1;BXBOVDMDAKQSSD-UHFFFAOYSA-N;131.18;1.87;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC5_SC5";;;;;;;2.41;;0.64;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM444678;MM444678;C=CC(CO)C1C(N)C1O;JUOIYGLYZNVPJP-UHFFFAOYSA-N;143.19;-0.9;;;;;DOPC;MDCG;27;1;"MARTINI bead: SP2_Nda";;;;;;;-0.24;;-4.97;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM444679;MM444679;CC1CC2(C)CC2(O)C1;KSPLMRORFMTFKH-UHFFFAOYSA-N;126.2;1.56;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC3_SNda";;;;;;;2.57;;0.44;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM444680;MM444680;C=CC1NCC(CO)=C1C;GYKGQWAKFHKWHA-UHFFFAOYSA-N;139.2;0.45;;;;;DOPC;MDCG;27;1;"MARTINI bead: SP2_SNd";;;;;;;-0.24;;-5.48;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM444681;MM444681;C#CC1CC=C(NC=N)C1;PSUXXSPTDPYSPY-UHFFFAOYSA-N;134.18;1.11;;;;;DOPC;MDCG;27;1;"MARTINI bead: SNd_SC5";;;;;;;1.64;;-3.69;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM444682;MM444682;C=CC(CC)C1C(N)C1F;WJDNQESZQAEALS-UHFFFAOYSA-N;143.21;1.49;;;;;DOPC;MDCG;27;1;"MARTINI bead: C1_SP1";;;;;;;2.08;;0.16;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM444683;MM444683;C=CC1=CC(=CC)CC1C;KUDBIJOQMVRQPQ-UHFFFAOYSA-N;134.22;3.08;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC3_SC2";;;;;;;4.53;;0.32;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM444684;MM444684;CCC1=C(C)C(C=O)NC1;MHQMAPYHIYYVEM-UHFFFAOYSA-N;139.2;0.88;;;;;DOPC;MDCG;27;1;"MARTINI bead: SN0_SP2";;;;;;;0.06;;-3.8;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM444685;MM444685;C#CC1CC=C(OC=C)C1;YSAZETHFTBXVOO-UHFFFAOYSA-N;134.18;2.07;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC4_SC5";;;;;;;2.97;;0.45;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM444686;MM444686;C=CC(CC)C1C(O)C1O;INVJRQBNUXVFNM-UHFFFAOYSA-N;142.2;0.55;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1_SP2";;;;;;;1.8;;0.4;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM444687;MM444687;C=CC1=CC(=CF)CC1C;VGCVKGZNVLVZQC-UHFFFAOYSA-N;138.19;2.99;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC4_SC2";;;;;;;4.16;;0.44;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM444688;MM444688;CCC1=C(C)C(C#N)NC1;MAQOEXLUWDHDML-UHFFFAOYSA-N;136.2;1.21;;;;;DOPC;MDCG;27;0;"MARTINI bead: SN0_SP1";;;;;;;0.34;;-1.53;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM444689;MM444689;C#CC1CC(CC=C)=CO1;FKMYOVKJANSDPT-UHFFFAOYSA-N;134.18;1.87;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC5_SNa";;;;;;;1.64;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM444690;MM444690;C=CC(CN)C1C(O)C1O;UKVONQLKQAOJFR-UHFFFAOYSA-N;143.19;-0.9;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_SP2";;;;;;;-0.24;;-5.32;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM444691;MM444691;CC=C1C=C(C#N)C(C)C1;IJLKOHUWIXICMW-UHFFFAOYSA-N;133.19;2.42;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC3_SC5";;;;;;;3.34;;0.48;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM444692;MM444692;CC1=C(CO)CNC1C=O;ICMUQEHZMWWLLM-UHFFFAOYSA-N;141.17;-0.53;;;;;DOPC;MDCG;27;1;"MARTINI bead: SP2_SP2";;;;;;;-1.34;;-5.39;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM444693;MM444693;C#CC1CC(CC#N)=CO1;JMSOLETYVAWORB-UHFFFAOYSA-N;133.15;1.21;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNa_SN0";;;;;;;1.17;;-1.18;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM444694;MM444694;C=CC(CO)C1C(O)C1O;HSMMLYSYGKADMF-UHFFFAOYSA-N;144.17;-0.87;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda_SP2";;;;;;;-0.24;;-3.31;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM444695;MM444695;CC1CC(=CF)C=C1C=O;MYGCYFLVFFYZBV-UHFFFAOYSA-N;140.16;2;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC4_SC5";;;;;;;2.97;;0.45;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM444696;MM444696;C=C(C(C)=O)C(C)=NOC;HCBRGKRWNCERDX-UHFFFAOYSA-N;141.17;1.15;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_Na";;;;;;;0.87;;-2.22;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM444697;MM444697;C#CC1CC(NC=N)=CO1;FCFNJRUPMUZNTD-UHFFFAOYSA-N;136.15;0.45;;;;;DOPC;MDCG;27;1;"MARTINI bead: SNd_SNa";;;;;;;0.87;;-4.45;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM444698;MM444698;O=CC(CO)C1C(O)C1O;JHCFBLUULZBYDT-UHFFFAOYSA-N;146.14;-1.85;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_SP2";;;;;;;-1.34;;-4.31;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM444699;MM444699;CC1CC(=CF)C=C1C#N;HDDRPFHOELHJTN-UHFFFAOYSA-N;137.16;2.33;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC4_SC5";;;;;;;2.97;;0.45;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM444700;MM444700;C=CC1NCC(OC)=C1C;QTWJAZJRTFRTNC-UHFFFAOYSA-N;139.2;1.06;;;;;DOPC;MDCG;27;1;"MARTINI bead: SP1_SNd";;;;;;;0.04;;-4.48;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM444701;MM444701;C#CC1CC(OC=C)=CO1;ZVLFXQGLILOKOK-UHFFFAOYSA-N;136.15;1.41;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNa_SNa";;;;;;;0.87;;-2.22;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM444702;MM444702;CNC(C#N)C1C(C)C1C;UFTSLTGIQLSVBL-UHFFFAOYSA-N;138.21;1;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_SC5";;;;;;;0.54;;-1.09;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM444703;MM444703;C=CC1=CC(=CC)CC1N;ZTBBKUQXFCENJI-UHFFFAOYSA-N;135.21;1.78;;;;;DOPC;MDCG;27;1;"MARTINI bead: SC3_SNd";;;;;;;2.57;;-1.12;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM444704;MM444704;COC1=C(C)C(C#N)NC1;VHONCOMGAXAVOJ-UHFFFAOYSA-N;138.17;0.4;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP1_SP1";;;;;;;-0.79;;-3.13;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM444705;MM444705;C#CC1CNC(=NC=C)C1;YEGGRBYOSMEVTP-UHFFFAOYSA-N;134.18;0.77;;;;;DOPC;MDCG;27;1;"MARTINI bead: SNd_SP1";;;;;;;0.04;;-6.21;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM444706;MM444706;C#CCC(=N)NN=CC;IKYJOEKCQQPEBL-UHFFFAOYSA-N;123.16;0.58;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nd_Nd";;;;;;;0.87;;-2.11;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM444707;MM444707;N=C(C=O)NC=C(F)F;VJFXPYKDVOAZDU-UHFFFAOYSA-N;134.09;0.49;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4_P3";;;;;;;0.23;;-1.03;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM444708;MM444708;C=CC1OCC(CC)=C1C;QRPPHMCJYDTCJE-UHFFFAOYSA-N;138.21;2.3;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC5_SNa";;;;;;;1.64;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM444709;MM444709;C=COC(=NN)C(C)OC;PEPBDRVIGGDVNZ-UHFFFAOYSA-N;144.17;0.45;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_Nda";;;;;;;0.87;;-1.99;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM444710;MM444710;CNC(C#N)C1C(C)C1F;MEHJVESFSUDLAD-UHFFFAOYSA-N;142.18;0.7;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_SNa";;;;;;;-0.24;;-3.24;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM444711;MM444711;C=NNCC(=O)C=CC;YZIAZKPBBQJHRC-UHFFFAOYSA-N;126.16;0.34;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_P1";;;;;;;0.81;;-0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM444712;MM444712;C=CC1OCC(CN)=C1C;YSETYFGYAKGLKF-UHFFFAOYSA-N;139.2;0.85;;;;;DOPC;MDCG;27;1;"MARTINI bead: SP1_SNa";;;;;;;0.04;;-4.7;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM444713;MM444713;C#CC1CC(CC#N)=NN1;JWHZXAKFLOXAQX-UHFFFAOYSA-N;133.15;0.25;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP1_SP1";;;;;;;-0.79;;-3.13;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM444714;MM444714;C=CC1=CC(=NO)CC1C;YSANNYCKNYEYEL-UHFFFAOYSA-N;137.18;1.97;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNda_SC2";;;;;;;2.83;;0.57;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM444715;MM444715;C=CC(NC)C1C(N)C1O;MPDXXQJWVQVCQP-UHFFFAOYSA-N;142.2;-0.92;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_SP2";;;;;;;-0.24;;-5.11;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM444716;MM444716;C=CC1OCC(CO)=C1C;CZQNHZLFKSMFLU-UHFFFAOYSA-N;140.18;0.88;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP1_SNa";;;;;;;0.04;;-2.54;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM444717;MM444717;C#CC1CC(=NC=C)NN1;FXWKZDNDKBQXOM-UHFFFAOYSA-N;135.17;0.03;;;;;DOPC;MDCG;27;1;"MARTINI bead: SP2_SP2";;;;;;;-1.34;;-6.28;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM444718;MM444718;CC1CC(=NO)C=C1C=O;VCTAUQAVVGHCGN-UHFFFAOYSA-N;139.15;0.98;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNda_SC5";;;;;;;1.64;;0.05;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM444719;MM444719;CON=C(CF)NOC;ABSOYJTUAFVKSI-UHFFFAOYSA-N;136.13;0.07;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_Na";;;;;;;0.04;;-2.54;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM444720;MM444720;CCC1=C(C)C(C=O)OC1;NJGHZGBQJWZVSJ-UHFFFAOYSA-N;140.18;1.31;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC5_SP1";;;;;;;0.81;;-0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM444721;MM444721;C#CC1CC(CC=C)=NO1;JBNCYZGCFOTHDB-UHFFFAOYSA-N;135.17;1.34;;;;;DOPC;MDCG;27;0;"MARTINI bead: SN0_SNa";;;;;;;1.17;;-1.18;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM444722;MM444722;CC1CC(=NO)C=C1C#N;PLEMYBSBZXIESI-UHFFFAOYSA-N;136.15;1.31;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNda_SC5";;;;;;;1.64;;0.05;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM444723;MM444723;C=CC(OC)C1C(C)C1C;IMNVTDJPEFGIQM-UHFFFAOYSA-N;140.23;2.09;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_SC5";;;;;;;1.64;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM444724;MM444724;CCC1=C(C)C(C#N)OC1;XNOIPWJOYAWGAH-UHFFFAOYSA-N;137.18;1.64;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC5_SNa";;;;;;;1.64;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM444725;MM444725;C#CC1CC(CC#N)=NO1;IGMYICOGTBBFPD-UHFFFAOYSA-N;134.14;0.68;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNa_SP1";;;;;;;0.04;;-2.54;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM444726;MM444726;C=CC1=CC(=NO)CC1N;WKXCVTHXYSSLBX-UHFFFAOYSA-N;138.17;0.66;;;;;DOPC;MDCG;27;1;"MARTINI bead: SNda_SNd";;;;;;;0.87;;-3.92;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM444727;MM444727;COC(C=O)C1C(C)C1C;ZGTOZOSSTUEQFX-UHFFFAOYSA-N;142.2;1.1;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_SC5";;;;;;;0.81;;-0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM444728;MM444728;CC1=C(CO)COC1C#N;JXOWSVXVPXGXBG-UHFFFAOYSA-N;139.15;0.22;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP1_SNa";;;;;;;0.04;;-2.54;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM444729;MM444729;CN=C(CC=O)N(C)C=O;OSRWMXBCYNXLNH-UHFFFAOYSA-N;142.16;-0.31;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_P3";;;;;;;-1.1;;-4.2;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM444730;MM444730;CC1CC2C(C)C2(O)C1;LENDYVAASBLQBC-UHFFFAOYSA-N;126.2;1.41;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC3_SNda";;;;;;;2.57;;0.44;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM444731;MM444731;COC(C#N)C1C(C)C1C;VNXYWRNSWKPPCE-UHFFFAOYSA-N;139.2;1.43;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_SC5";;;;;;;0.81;;-0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM444732;MM444732;C=CC1OCC(OC)=C1C;GWLRGQFKXKIVLK-UHFFFAOYSA-N;140.18;1.49;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNa_SNa";;;;;;;0.87;;-2.22;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM444733;MM444733;C#CC1CN=C(NC=C)N1;SEHLJIODRDMBDX-UHFFFAOYSA-N;135.17;-0.32;;;;;DOPC;MDCG;27;1;"MARTINI bead: SP1_SP1";;;;;;;-0.79;;-6.37;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM444734;MM444734;C=CC1=CC(=NC)NC1C;FVRCZWAJUDWGSX-UHFFFAOYSA-N;136.2;1.12;;;;;DOPC;MDCG;27;1;"MARTINI bead: SNd_SN0";;;;;;;1.17;;-3.77;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM444735;MM444735;C=CC(OC)C1C(N)C1N;JIZWIQURRBDSGQ-UHFFFAOYSA-N;142.2;-0.53;;;;;DOPC;MDCG;27;1;"MARTINI bead: Na_SP3";;;;;;;-1.1;;-6.2;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM444736;MM444736;COC1=C(C)C(C=O)OC1;QUHVYTCLYHPOKP-UHFFFAOYSA-N;142.15;0.5;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNa_SP1";;;;;;;0.04;;-2.54;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM444737;MM444737;C#CC1CC=C(CC=C)O1;XJSJGLVYSIZIQJ-UHFFFAOYSA-N;134.18;1.87;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC5_SN0";;;;;;;1.94;;0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM444738;MM444738;CN=C1C=C(C#N)C(C)N1;JIOMKNUSDCOWDB-UHFFFAOYSA-N;135.17;0.46;;;;;DOPC;MDCG;27;1;"MARTINI bead: SNd_SP1";;;;;;;0.04;;-4.18;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM444739;MM444739;C=CC(OC)C1C(N)C1F;ALYJCJVCEHDJKQ-UHFFFAOYSA-N;145.18;0.48;;;;;DOPC;MDCG;27;1;"MARTINI bead: Na_SP1";;;;;;;0.04;;-3.74;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM444740;MM444740;COC1=C(C)C(C#N)OC1;JNRGPNHBXJYQND-UHFFFAOYSA-N;139.15;0.83;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNa_SNa";;;;;;;0.87;;-2.22;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM444741;MM444741;C#CC1CC=C(CC#N)O1;SEDXFXLETXGTJL-UHFFFAOYSA-N;133.15;1.21;;;;;DOPC;MDCG;27;0;"MARTINI bead: SN0_SNa";;;;;;;1.17;;-1.18;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM444742;MM444742;CC1CCC2(O)CC12C;ZEBBUZFEXMRUMH-UHFFFAOYSA-N;126.2;1.56;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC3_SNda";;;;;;;2.57;;0.44;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM444743;MM444743;CCN(C=N)C1C(C)C1C;CSLPDPAVKOGXCU-UHFFFAOYSA-N;140.23;1.57;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_SC5";;;;;;;1.64;;-3.8;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM444744;MM444744;CC1=C(CN)CCN1C=N;RPCPJRFWYZJEBP-UHFFFAOYSA-N;139.2;0.53;;;;;DOPC;MDCG;27;1;"MARTINI bead: SP2_SP1";;;;;;;-1.06;;-6.94;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM444745;MM444745;C#CC1OC=C(CC=C)O1;WNPAGSREMSDPPS-UHFFFAOYSA-N;136.15;1.41;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNa_SNa";;;;;;;0.87;;-2.22;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM444746;MM444746;C#CC(C=NN=C)=NN;ZQVPUOMCSDTXFH-UHFFFAOYSA-N;122.13;-0.38;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_N0";;;;;;;0.34;;-1.53;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM444747;MM444747;CCN(C=O)C1C(C)C1C;UHGWUTVSTRYEKE-UHFFFAOYSA-N;141.21;1.12;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_SC5";;;;;;;0.81;;-0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM444748;MM444748;CC1=C(CO)CCN1C=N;ICRAGKCYIQTQSE-UHFFFAOYSA-N;140.19;0.57;;;;;DOPC;MDCG;27;1;"MARTINI bead: SP1_SP1";;;;;;;-0.79;;-6.17;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM444749;MM444749;C#CC1OC=C(CC#N)O1;RYFQJKMBYHZYHE-UHFFFAOYSA-N;135.12;0.75;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNa_SNa";;;;;;;0.87;;-2.22;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM444750;MM444750;C=CC1=CC(=NO)OC1C;ULKZAWIVXNGOHE-UHFFFAOYSA-N;139.15;1.31;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP1_SC5";;;;;;;0.81;;-0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM444751;MM444751;CCN(C=O)C1C(C)C1N;AINKISQGYZYBRB-UHFFFAOYSA-N;142.2;-0.19;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1_SNd";;;;;;;0.04;;-4.23;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM444752;MM444752;CCC1=C(C)N(C=N)NC1;SRALPOPXRAWOMW-UHFFFAOYSA-N;139.2;1.1;;;;;DOPC;MDCG;27;1;"MARTINI bead: SP1_SP3";;;;;;;-1.93;;-6.78;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM444753;MM444753;C#CC1ON=C(NC=C)O1;DRHZCSCGTYAOOO-UHFFFAOYSA-N;138.13;;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP1_SNa";;;;;;;0.04;;-2.54;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM444754;MM444754;CC1OC(=NO)C=C1C#N;PVMKMBPGVXVLPL-UHFFFAOYSA-N;138.13;0.64;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP1_SN0";;;;;;;0.34;;-1.53;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM444755;MM444755;CCN(C=N)C1C(C)C1O;JEXNRRPJXBUNPG-UHFFFAOYSA-N;142.2;0.29;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_SNda";;;;;;;0.87;;-5.22;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM444756;MM444756;CC1=C(CN)CNN1C=N;VBFCBJJCQLWYLU-UHFFFAOYSA-N;140.19;-0.35;;;;;DOPC;MDCG;27;1;"MARTINI bead: SP3_SP3";;;;;;;-3.07;;-8.12;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM444757;MM444757;C#CCC1=CCC(C#C)C1;NIGJTZATKWEEHL-UHFFFAOYSA-N;130.19;1.98;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC4_SC5";;;;;;;2.97;;0.45;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM444758;MM444758;C=CC(C)(O)CC(C)(C)C;UXDFJAICKKWZBZ-UHFFFAOYSA-N;142.24;2.36;;;;;DOPC;MDCG;27;0;"MARTINI bead: C3_C5";;;;;;;3.34;;0.48;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM444759;MM444759;CCN(C=N)C1C(C)C1F;CJECSUKQMKTKSV-UHFFFAOYSA-N;144.19;1.27;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_SNa";;;;;;;0.87;;-5.07;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM444760;MM444760;CC1=C(CO)CNN1C=N;BYUSQPFGEHRQAB-UHFFFAOYSA-N;141.17;-0.32;;;;;DOPC;MDCG;27;1;"MARTINI bead: SP2_SP3";;;;;;;-2.2;;-7.02;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM444761;MM444761;C#CCC1=COC(C#C)C1;NBJFUPCFFQVHNI-UHFFFAOYSA-N;132.16;1.32;;;;;DOPC;MDCG;27;0;"MARTINI bead: SN0_SNa";;;;;;;1.17;;-1.18;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM444762;MM444762;C=Cc1cc(=NO)on1C;JFILBLUQNCDOEI-UHFFFAOYSA-N;140.14;0.55;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP2_SN0";;;;;;;0.06;;-2.21;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM444763;MM444763;C=NNC1=NCC(C)C1;ZKGSQDGVFSEWDT-UHFFFAOYSA-N;125.18;0.63;;;;;DOPC;MDCG;27;0;"MARTINI bead: SN0_SNd";;;;;;;1.17;;-1.04;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM444764;MM444764;CC1=C(CN)CNN1C=O;CGKIFSNTGJOLRG-UHFFFAOYSA-N;141.17;-0.8;;;;;DOPC;MDCG;27;1;"MARTINI bead: SP3_SP2";;;;;;;-2.2;;-6.64;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM444765;MM444765;C#CC(=C)C(=NN)OCC;PWBRFUOAWNQFGK-UHFFFAOYSA-N;138.17;0.48;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda_N0";;;;;;;1.17;;-1.13;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM444766;MM444766;C=CC(C)(C)C(C)C(C)O;AKIXGLGODKNDPD-UHFFFAOYSA-N;142.24;2.22;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda_C2";;;;;;;2.83;;0.57;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM444767;MM444767;CN=NC1=CNN(C)C1;NLFMWKHFQJYZNC-UHFFFAOYSA-N;126.16;0.36;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP1_SP2";;;;;;;-1.06;;-3.82;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM444768;MM444768;CC1=C(CN)CON1C=N;HCLQBOPGBYMAHJ-UHFFFAOYSA-N;141.17;0.07;;;;;DOPC;MDCG;27;1;"MARTINI bead: SP2_SP1";;;;;;;-1.06;;-5.11;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM444769;MM444769;C#CCC1=NOC(C#C)C1;FYHNEZDCEUNWOA-UHFFFAOYSA-N;133.15;0.79;;;;;DOPC;MDCG;27;0;"MARTINI bead: SN0_SNa";;;;;;;1.17;;-1.18;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM444770;MM444770;C=Cc1cc(=NO)on1N;XIQBIGGCXNVTNA-UHFFFAOYSA-N;141.13;-0.27;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP2_SN0";;;;;;;0.06;;-2.21;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM444771;MM444771;CNN(C=O)C1C(C)C1C;UZKHMLRVXSKMQP-UHFFFAOYSA-N;142.2;0.23;;;;;DOPC;MDCG;27;0;"MARTINI bead: P3_SC5";;;;;;;-0.33;;-2.01;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM444772;MM444772;C=CC1=C(C)C(C=C)CC1;NUJBFYDPQGUIMK-UHFFFAOYSA-N;134.22;3.08;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC3_SC4";;;;;;;3.9;;0.47;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM444773;MM444773;C#CCC1=CCC(C#C)O1;GQXSLHJYSVDKHF-UHFFFAOYSA-N;132.16;1.32;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNa_SN0";;;;;;;1.17;;-1.18;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM444774;MM444774;C=CC(C)(C)CC(O)CC;MACBGZAYGZAZKX-UHFFFAOYSA-N;142.24;2.36;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda_C2";;;;;;;2.83;;0.57;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM444775;MM444775;CNN(C=O)C1C(C)C1N;PBBZOXQHJOROCR-UHFFFAOYSA-N;143.19;-1.08;;;;;DOPC;MDCG;27;1;"MARTINI bead: P3_SNd";;;;;;;-1.1;;-5.18;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM444776;MM444776;C=CC1CCC(C=O)=C1C;NODJEFYWBVFGNF-UHFFFAOYSA-N;136.19;2.1;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNa_SC4";;;;;;;2.2;;0.34;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM444777;MM444777;C#CCC1=COC(C#C)O1;SSBFWIATTFOLFH-UHFFFAOYSA-N;134.13;0.86;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNa_SNa";;;;;;;0.87;;-2.22;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM444778;MM444778;C=Cc1cc(=NO)on1O;PTMGUPHQVPEVAZ-UHFFFAOYSA-N;142.11;0.25;;;;;DOPC;MDCG;27;0;"MARTINI bead: SN0_SP2";;;;;;;0.06;;-2.21;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM444779;MM444779;C=C(CN1CC1)C(C)=O;OAJMESGWLKNLHM-UHFFFAOYSA-N;125.17;0.45;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_SP1";;;;;;;0.04;;-2.54;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM444780;MM444780;C=CC1CCC(C#N)=C1C;SCIZOPVJLRWOAL-UHFFFAOYSA-N;133.19;2.42;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC5_SC4";;;;;;;2.97;;0.45;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM444781;MM444781;C#CCC1=NOC(C#C)O1;QCMNPVOSWTWYNG-UHFFFAOYSA-N;135.12;0.33;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNa_SNa";;;;;;;0.87;;-2.22;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM444782;MM444782;C=Cc1nc(=NC)on1C;RYUQPWIIMNZGRT-UHFFFAOYSA-N;139.16;0.19;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNa_SP2";;;;;;;-0.24;;-3.24;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM444783;MM444783;CNN(C=N)C1C(C)C1F;HKTODAWBRVIIKB-UHFFFAOYSA-N;145.18;0.39;;;;;DOPC;MDCG;27;1;"MARTINI bead: P4_SNa";;;;;;;-1.19;;-6.15;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM444784;MM444784;C=CC1=C(C)C(C=O)CC1;ZUEGJDSKTAJNOM-UHFFFAOYSA-N;136.19;2.1;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC3_SNa";;;;;;;2.57;;0.45;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM444785;MM444785;CC=CC1=CCC(CC)C1;STFTYGVRTSQXJN-UHFFFAOYSA-N;136.24;3.31;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC2_SC2";;;;;;;4.78;;0.59;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM444786;MM444786;C=CC(C)(O)C(C)CCC;DALQLFPGKJEEHP-UHFFFAOYSA-N;142.24;2.36;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1_Nda";;;;;;;2.91;;0.57;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM444787;MM444787;CNN(C=O)C1C(C)C1F;PKKXKACYRQAVCX-UHFFFAOYSA-N;146.17;-0.06;;;;;DOPC;MDCG;27;0;"MARTINI bead: P3_SNa";;;;;;;-1.1;;-4.2;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM444788;MM444788;C=CC1=C(C)C(C#N)CC1;YWMFVYYTEIEGBU-UHFFFAOYSA-N;133.19;2.42;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC3_SN0";;;;;;;2.87;;0.37;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM444789;MM444789;CC=CC1=CCC(CN)C1;KWYPQQLJICNMEQ-UHFFFAOYSA-N;137.23;1.86;;;;;DOPC;MDCG;27;1;"MARTINI bead: SC2_SNd";;;;;;;2.83;;-0.74;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM444790;MM444790;C=Cc1nc(=NO)on1C;WCOOYDJYXGQHLC-UHFFFAOYSA-N;141.13;-0.05;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP2_SNa";;;;;;;-0.24;;-3.24;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM444791;MM444791;Cc1c[nH]c(N=N)c1N;HZDFMRPVGMHIPG-UHFFFAOYSA-N;124.15;1.57;;;;;DOPC;MDCG;27;0;"MARTINI bead: SN0_SP1";;;;;;;0.34;;-1.53;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM444792;MM444792;CC1=C(C=O)CCC1C=O;JVXHJWAVEWYBLT-UHFFFAOYSA-N;138.17;1.11;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNa_SNa";;;;;;;0.87;;-2.22;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM444793;MM444793;C#CC(=C)C(=NN)OC=C;CRAOGNZAMWVLMO-UHFFFAOYSA-N;136.15;0.61;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda_N0";;;;;;;1.17;;-1.13;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM444794;MM444794;CN=c1nc(C#N)n(C)o1;VIBZFPLRPFWWJU-UHFFFAOYSA-N;138.13;-0.58;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNa_SP2";;;;;;;-0.24;;-3.24;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM444795;MM444795;C=CC(OC)C1C(C)N1C;LUKLJBBNXKMZJJ-UHFFFAOYSA-N;141.21;0.89;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_SNd";;;;;;;0.87;;-1.88;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM444796;MM444796;CC1=C(C=O)CCC1C#N;NMKCFAJTHNHXKJ-UHFFFAOYSA-N;135.17;1.44;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNa_SN0";;;;;;;1.17;;-1.18;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM444797;MM444797;CC=CC1=CCC(CF)C1;CWUWPUFSDGKGOP-UHFFFAOYSA-N;140.2;2.87;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC2_SC5";;;;;;;3.6;;0.34;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM444798;MM444798;C=Cc1nc(=NC)on1N;ANZPOBJMKMFWEG-UHFFFAOYSA-N;140.15;-0.64;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNa_SP2";;;;;;;-0.24;;-3.24;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM444799;MM444799;CC1C(=O)C(CF)N1C;YPLCVBPPRMEEOG-UHFFFAOYSA-N;131.15;0.23;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP2_SNda";;;;;;;-0.24;;-3.31;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM444800;MM444800;CC1=C(C#N)CCC1C=O;QUHNGNVEFBOEJN-UHFFFAOYSA-N;135.17;1.44;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC5_SNa";;;;;;;1.64;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM444801;MM444801;CCC1CC=C(C=NN)C1;PHAZFAQJXDKNIN-UHFFFAOYSA-N;138.21;1.68;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC2_SNd";;;;;;;2.83;;0.62;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM444802;MM444802;C=NOC(=N)NC=C(F)F;PJLNJZGJBIUCMO-UHFFFAOYSA-N;149.1;0.88;;;;;DOPC;MDCG;27;0;"MARTINI bead: N0_P1";;;;;;;0.34;;-1.53;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM444803;MM444803;CCC(C#N)N1C(C)C1C;JWWQBTJANZIRLF-UHFFFAOYSA-N;138.21;1.38;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_SP1";;;;;;;-0.79;;-3.13;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM444804;MM444804;CC1=C(C#N)CCC1C#N;AXVLVDDMJPQEQL-UHFFFAOYSA-N;132.17;1.76;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC5_SN0";;;;;;;1.94;;0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM444805;MM444805;C#CC(=C)C(=NN)OC=O;QEMSPVFWPGITTA-UHFFFAOYSA-N;138.13;-0.38;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_N0";;;;;;;0.34;;-1.53;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM444806;MM444806;C=CC(C)CC(O)CCC;ZVAIOUJSLZOGKT-UHFFFAOYSA-N;142.24;2.36;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_C3";;;;;;;3.34;;0.48;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM444807;MM444807;C=CC(CN)N1C(C)C1C;AZUICPQGLQQSCB-UHFFFAOYSA-N;140.23;0.59;;;;;DOPC;MDCG;27;1;"MARTINI bead: SP1_P3";;;;;;;-1.93;;-6.64;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM444808;MM444808;C=CC1CCC(C=O)=C1N;KXKULJPFLLDUGN-UHFFFAOYSA-N;137.18;0.99;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP1_SC4";;;;;;;1.37;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM444809;MM444809;NN=CC1=CCC(CF)C1;MOFPGRCGORNNOI-UHFFFAOYSA-N;142.18;1.24;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNd_SC5";;;;;;;1.64;;0.02;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM444810;MM444810;CN(C)N=CNN=CCF;FITIYMXWXWOIQE-UHFFFAOYSA-N;146.17;0.04;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_Nda";;;;;;;-0.24;;-3.31;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM444811;MM444811;C#CC(CC)C1C(C)C1C;SIOKQABAPKVIAB-UHFFFAOYSA-N;136.24;2.55;;;;;DOPC;MDCG;27;0;"MARTINI bead: C3_SC5";;;;;;;3.34;;0.48;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM444812;MM444812;C=CC1CCC(C#N)=C1N;IUCZAMFFCIBGEK-UHFFFAOYSA-N;134.18;1.32;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNd_SC4";;;;;;;2.2;;0.32;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM444813;MM444813;CC=CC1=CCC(NC)C1;SYPACDQGALIBNE-UHFFFAOYSA-N;137.23;1.87;;;;;DOPC;MDCG;27;1;"MARTINI bead: SNd_SC2";;;;;;;2.83;;-0.96;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM444814;MM444814;C=CCCCC(O)C(C)C;IAFXHXHWWRHBHY-UHFFFAOYSA-N;142.24;2.36;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda_C1";;;;;;;2.91;;0.57;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM444815;MM444815;C#CC(CN)C1C(C)C1C;XBCKUVUPMJLDMG-UHFFFAOYSA-N;137.23;1.1;;;;;DOPC;MDCG;27;1;"MARTINI bead: SC5_Nd";;;;;;;1.64;;-2.36;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM444816;MM444816;NC1=C(C=O)CCC1C=O;SGZKDQCCLOVFCC-UHFFFAOYSA-N;139.15;0.01;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP1_SNa";;;;;;;0.04;;-2.54;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM444817;MM444817;CNC1CC=C(C=NN)C1;SSIFCCAFXGBAFI-UHFFFAOYSA-N;139.2;0.24;;;;;DOPC;MDCG;27;1;"MARTINI bead: SNd_SNd";;;;;;;0.87;;-5.13;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM444818;MM444818;CN=c1nc(C=O)n(O)o1;DKFDOOKKRZUDPS-UHFFFAOYSA-N;143.1;-0.94;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP1_SP2";;;;;;;-1.06;;-3.82;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM444819;MM444819;C=NN1CC1C#CC#N;OZNBHYVCFUIWCD-UHFFFAOYSA-N;119.13;-0.19;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP2_N0";;;;;;;0.06;;-2.21;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM444820;MM444820;N#CC1CCC(C=O)=C1N;UFSJPGUNDZFKRU-UHFFFAOYSA-N;136.15;0.33;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP1_SN0";;;;;;;0.34;;-1.53;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM444821;MM444821;CC=CC1=CCC(OC)C1;NVFLZLPFGJFEEO-UHFFFAOYSA-N;138.21;2.3;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC5_SC2";;;;;;;3.6;;0.34;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM444822;MM444822;CN=c1nc(C#N)n(O)o1;XFJFQBXXILYSJY-UHFFFAOYSA-N;140.1;-0.88;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNa_SP2";;;;;;;-0.24;;-3.24;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM444823;MM444823;C#CC(CC)C1C(C)C1N;ZJTVTBQATDPVQP-UHFFFAOYSA-N;137.23;1.24;;;;;DOPC;MDCG;27;1;"MARTINI bead: C3_SNd";;;;;;;2.57;;-1.35;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM444824;MM444824;C=CN(C=NC(C)=O)N=C;NQVFTGYJZOFYSO-UHFFFAOYSA-N;139.16;0.62;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_N0";;;;;;;0.06;;-2.21;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM444825;MM444825;COC1CC=C(C=NN)C1;QPQBHNWLUNTLHI-UHFFFAOYSA-N;140.19;0.67;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC5_SNd";;;;;;;1.64;;0.02;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM444826;MM444826;C#CC1=CC(=CC)CC1C;AVYJZOMUKZTMBC-UHFFFAOYSA-N;132.21;2.53;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC3_SC4";;;;;;;3.9;;0.47;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM444827;MM444827;C#CC(CN)C1C(C)C1N;WYELJJIENVYVLZ-UHFFFAOYSA-N;138.21;-0.21;;;;;DOPC;MDCG;27;1;"MARTINI bead: SNd_Nd";;;;;;;0.87;;-4.97;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM444828;MM444828;N#CC1=C(N)C(C#N)CC1;YLUKEYDGZYQNDU-UHFFFAOYSA-N;133.15;0.66;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNd_SN0";;;;;;;1.17;;-1.04;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM444829;MM444829;CC=CC1=COC(CC)C1;SESHUMJCDQCIEQ-UHFFFAOYSA-N;138.21;2.65;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC5_SC5";;;;;;;2.41;;0.64;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM444830;MM444830;C#CC1=CC(=CF)CC1C;KCLGMNYJXCMTFT-UHFFFAOYSA-N;136.17;2.44;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC4_SC4";;;;;;;3.53;;0.53;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM444831;MM444831;C#CC(CO)C1C(C)C1N;VIHMDFCIIDDCKO-UHFFFAOYSA-N;139.2;-0.18;;;;;DOPC;MDCG;27;1;"MARTINI bead: SNd_Nda";;;;;;;0.87;;-4.25;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM444832;MM444832;C=CC1=C(C)C(C=C)CO1;CJPMJDRTEORNRB-UHFFFAOYSA-N;136.19;2.28;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC5_SC5";;;;;;;2.41;;0.64;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM444833;MM444833;CC=CC1=COC(CN)C1;IMXRAPWYJCYSHU-UHFFFAOYSA-N;139.2;1.19;;;;;DOPC;MDCG;27;1;"MARTINI bead: SC5_SP1";;;;;;;0.81;;-2.54;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM444834;MM444834;C#CC1=CC(=CC)CC1N;CYSXHKSWYVSWOF-UHFFFAOYSA-N;133.19;1.22;;;;;DOPC;MDCG;27;1;"MARTINI bead: SC3_SNd";;;;;;;2.57;;-0.71;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM444835;MM444835;CC(F)CC(=O)C=C(N)N;IZTHWFXEDGYYCN-UHFFFAOYSA-N;146.17;0.06;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_P2";;;;;;;-0.24;;-3.24;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM444836;MM444836;C=CC1COC(C=O)=C1C;LRXDCXYKHYWTCO-UHFFFAOYSA-N;138.17;1.29;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNa_SC5";;;;;;;1.64;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM444837;MM444837;CC=CC1=COC(CO)C1;ACZDUWFGTBYCIM-UHFFFAOYSA-N;140.18;1.23;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC5_SNda";;;;;;;1.64;;0.05;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM444838;MM444838;C#CC1=CC(=CF)CC1N;VSJLMCBZMDAAOX-UHFFFAOYSA-N;137.16;1.13;;;;;DOPC;MDCG;27;1;"MARTINI bead: SC4_SNd";;;;;;;2.2;;-1.41;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM444839;MM444839;C#CC(CN)C1C(C)C1O;ONJATOFNDFIBGI-UHFFFAOYSA-N;139.2;-0.18;;;;;DOPC;MDCG;27;1;"MARTINI bead: SNda_Nd";;;;;;;0.87;;-4.08;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM444840;MM444840;C=CC1COC(C#N)=C1C;SLBGNHDPYQYAJX-UHFFFAOYSA-N;135.17;1.62;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNa_SC5";;;;;;;1.64;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM444841;MM444841;CC=CC1=COC(CF)C1;DRHBMMMDZXLNOO-UHFFFAOYSA-N;142.17;2.2;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC5_SNa";;;;;;;1.64;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM444842;MM444842;C=CCC(C(C)C)C(C)O;WDWSHTKAMBDSRL-UHFFFAOYSA-N;142.24;2.22;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1_P1";;;;;;;2.08;;0.48;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM444843;MM444843;C#CC(CO)C1C(C)C1O;CUVBDZBBJRPRBR-UHFFFAOYSA-N;140.18;-0.15;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNda_Nda";;;;;;;0.87;;-2.07;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM444844;MM444844;C=CC1=C(C)C(C=O)CO1;LZEYLGCAYIUGJT-UHFFFAOYSA-N;138.17;1.29;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC5_SNa";;;;;;;1.64;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM444845;MM444845;CC=CC1=COC(OC)C1;SKXOUAUQMDRJNS-UHFFFAOYSA-N;140.18;1.84;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNa_SC5";;;;;;;1.64;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM444846;MM444846;C=CC(O)(CC)CCCC;RVLMPMSTVASLIS-UHFFFAOYSA-N;142.24;2.5;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1_C5";;;;;;;3.68;;0.46;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM444847;MM444847;C#CC(CC)C1C(C)C1F;DNEFFUDOFGLRQJ-UHFFFAOYSA-N;140.2;2.25;;;;;DOPC;MDCG;27;0;"MARTINI bead: C3_SNa";;;;;;;2.57;;0.45;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM444848;MM444848;C=CC1=C(C)C(C#N)CO1;QWLJNIYKWJPXTF-UHFFFAOYSA-N;135.17;1.62;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC5_SN0";;;;;;;1.94;;0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM444849;MM444849;CC=CC1=NNC(CC)C1;KSNLJFKOQGWWAU-UHFFFAOYSA-N;138.21;1.69;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNd_SN0";;;;;;;1.17;;-1.04;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM444850;MM444850;C#CC1=CC(=NO)CC1C;BORRRNOZDRDKGI-UHFFFAOYSA-N;135.17;1.42;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNda_SC4";;;;;;;2.2;;0.49;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM444851;MM444851;C#CC(CC)C1C(N)C1N;APOJEWDUUHMTNF-UHFFFAOYSA-N;138.21;-0.07;;;;;DOPC;MDCG;27;1;"MARTINI bead: C3_SP3";;;;;;;0.6;;-2.81;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM444852;MM444852;CC1=C(C#N)OCC1C=O;BKAZONRFSUMJRV-UHFFFAOYSA-N;137.14;0.63;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNa_SNa";;;;;;;0.87;;-2.22;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM444853;MM444853;CC=CC1=NNC(CN)C1;ZKYXOSZEEZMKOK-UHFFFAOYSA-N;139.2;0.24;;;;;DOPC;MDCG;27;1;"MARTINI bead: SN0_SP1";;;;;;;0.34;;-3.16;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM444854;MM444854;C#CC1=CC(=NO)CC1N;HBVSAYZSZYHBMG-UHFFFAOYSA-N;136.15;0.11;;;;;DOPC;MDCG;27;1;"MARTINI bead: SNda_SNd";;;;;;;0.87;;-3.49;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM444855;MM444855;C#CC(CO)C1C(N)C1N;DBUQYCIHFIOSOA-UHFFFAOYSA-N;140.19;-1.49;;;;;DOPC;MDCG;27;1;"MARTINI bead: SP3_Nda";;;;;;;-1.1;;-5.73;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM444856;MM444856;CC1=C(C#N)OCC1C#N;APZAGBDAESTMQB-UHFFFAOYSA-N;134.14;0.95;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNa_SN0";;;;;;;1.17;;-1.18;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM444857;MM444857;NC=CC1=NNC(CN)C1;YESDICBFDLQEFH-UHFFFAOYSA-N;140.19;-0.86;;;;;DOPC;MDCG;27;1;"MARTINI bead: SP1_SP2";;;;;;;-1.06;;-5.46;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM444858;MM444858;CCC=CC(O)(CC)CC;GMZSSXNHIOMWRN-UHFFFAOYSA-N;142.24;2.5;;;;;DOPC;MDCG;27;0;"MARTINI bead: C3_C5";;;;;;;3.34;;0.48;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM444859;MM444859;C#CC(CO)C1C(N)C1O;WYCOIWITLVVZLR-UHFFFAOYSA-N;141.17;-1.45;;;;;DOPC;MDCG;27;1;"MARTINI bead: SP2_Nda";;;;;;;-0.24;;-4.95;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM444860;MM444860;N#CC1=C(N)C(C#N)CO1;WMHSCTJZHFFNAD-UHFFFAOYSA-N;135.13;-0.15;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP1_SN0";;;;;;;0.34;;-1.53;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM444861;MM444861;CC#CC(=NN)N(N)C=O;ZSJOXXDDVPILHS-UHFFFAOYSA-N;140.15;-1.39;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nd_P2";;;;;;;-0.24;;-3.16;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM444862;MM444862;C#CC1=CC(=NO)CC1O;LNNJFGXXGBLSSO-UHFFFAOYSA-N;137.14;0.14;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNda_SNda";;;;;;;0.87;;-2.07;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM444863;MM444863;C#CC(CO)C1C(O)C1O;JOLZZZRFBDYZRF-UHFFFAOYSA-N;142.15;-1.42;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda_SP2";;;;;;;-0.24;;-3.31;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM444864;MM444864;C=CC1=C(C)C(C=C)NC1;ACWSNVRRXNJWQK-UHFFFAOYSA-N;135.21;1.65;;;;;DOPC;MDCG;27;1;"MARTINI bead: SN0_SNd";;;;;;;1.17;;-3.79;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM444865;MM444865;CC=CC1=NNC(CF)C1;HGLINUDGOVVLLO-UHFFFAOYSA-N;142.18;1.25;;;;;DOPC;MDCG;27;0;"MARTINI bead: SN0_SNda";;;;;;;1.17;;-1.13;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM444866;MM444866;C#CC1=CC(=NC)NC1C;QJSCQTURHZMSAX-UHFFFAOYSA-N;134.18;0.57;;;;;DOPC;MDCG;27;1;"MARTINI bead: SNd_SP1";;;;;;;0.04;;-4.71;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM444867;MM444867;C#CC(NC)C1C(N)C1N;KWJQRYJXLLYBNI-UHFFFAOYSA-N;139.2;-1.51;;;;;DOPC;MDCG;27;1;"MARTINI bead: P2_SP3";;;;;;;-2.2;;-7.05;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM444868;MM444868;C=CC1NCC(C=O)=C1C;TZMQWPZUELKCGH-UHFFFAOYSA-N;137.18;0.66;;;;;DOPC;MDCG;27;1;"MARTINI bead: SP2_SNd";;;;;;;-0.24;;-5.26;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM444869;MM444869;CC=CC1=NOC(CN)C1;CJUKVCCOCLGEHK-UHFFFAOYSA-N;140.19;0.67;;;;;DOPC;MDCG;27;1;"MARTINI bead: SC5_SP1";;;;;;;0.81;;-1.98;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM444870;MM444870;C#CC1=CC(=CC)OC1C;QTZRONWAZHNDAL-UHFFFAOYSA-N;134.18;1.87;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC5_SN0";;;;;;;1.94;;0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM444871;MM444871;C#CC(OC)C1C(C)C1C;YIBDGRBPGMXQMS-UHFFFAOYSA-N;138.21;1.54;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_SC5";;;;;;;1.64;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM444872;MM444872;C=CC1=C(C)C(C=O)NC1;XKVDMXNACYZGIQ-UHFFFAOYSA-N;137.18;0.66;;;;;DOPC;MDCG;27;1;"MARTINI bead: SN0_SP2";;;;;;;0.06;;-3.69;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM444873;MM444873;NC=CC1=NOC(CN)C1;PGARWGPYZVOHAL-UHFFFAOYSA-N;141.17;-0.44;;;;;DOPC;MDCG;27;1;"MARTINI bead: SP1_SNd";;;;;;;0.04;;-4.12;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM444874;MM444874;CNC1=NCC(C)(C#N)N1;ZFCCSRYMZSPZJP-UHFFFAOYSA-N;138.17;-0.55;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP1_SP1";;;;;;;-0.79;;-3.13;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM444875;MM444875;C#CC(OC)C1C(C)C1N;FCRAZUMWIBUHOZ-UHFFFAOYSA-N;139.2;0.23;;;;;DOPC;MDCG;27;1;"MARTINI bead: Na_SNd";;;;;;;0.87;;-4.45;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM444876;MM444876;C=CC1=C(C)C(C#N)NC1;FBKPKKIJHAIMCW-UHFFFAOYSA-N;134.18;0.98;;;;;DOPC;MDCG;27;0;"MARTINI bead: SN0_SP1";;;;;;;0.34;;-1.53;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM444877;MM444877;CCOCC(=NN)OCC;OYUAVNDCSXUTGU-UHFFFAOYSA-N;146.19;0.33;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_Nda";;;;;;;0.87;;-1.99;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM444878;MM444878;C#CC1=CC(=NO)OC1C;GXRLEQYFTGBWCF-UHFFFAOYSA-N;137.14;0.75;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP1_SN0";;;;;;;0.34;;-1.53;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM444879;MM444879;C#CC(OC)C1C(C)C1O;SBIYJASHYGIALF-UHFFFAOYSA-N;140.18;0.26;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_SNda";;;;;;;0.87;;-1.99;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM444880;MM444880;CC=NN=C(N)C=CC=O;RAUPCGCASRSYBD-UHFFFAOYSA-N;139.16;0.1;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nd_Na";;;;;;;0.87;;-1.88;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM444881;MM444881;CC=CC1=NOC(CF)C1;RXCSIQPKBUVAQM-UHFFFAOYSA-N;143.16;1.68;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC5_SNa";;;;;;;1.64;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM444882;MM444882;C=CCCC(C)C(O)CC;JGTKGLUKURVOGV-UHFFFAOYSA-N;142.24;2.36;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda_C1";;;;;;;2.91;;0.57;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM444883;MM444883;C#CC(OC)C1C(C)C1F;QROYURLBZCMSOB-UHFFFAOYSA-N;142.17;1.24;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_SNa";;;;;;;0.87;;-2.22;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM444884;MM444884;CC1=C(C#N)CNC1C#N;HAQWNRFEMQTLKT-UHFFFAOYSA-N;133.15;0.32;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP1_SP1";;;;;;;-0.79;;-3.13;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM444885;MM444885;CC=CC1=NCC(CC)N1;UHHYGCBICAWJFB-UHFFFAOYSA-N;138.21;1.34;;;;;DOPC;MDCG;27;1;"MARTINI bead: SN0_SNd";;;;;;;1.17;;-3.72;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM444886;MM444886;C#Cc1cc(=NO)on1C;HZZAIEHPEJMDSP-UHFFFAOYSA-N;138.13;-0.11;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP2_SN0";;;;;;;0.06;;-2.21;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM444887;MM444887;C#CC(OC)C1C(N)C1N;OVQQGBSMAKBJFB-UHFFFAOYSA-N;140.19;-1.08;;;;;DOPC;MDCG;27;1;"MARTINI bead: Na_SP3";;;;;;;-1.1;;-6.18;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM444888;MM444888;C=CC1NCC(C=O)=C1N;SEMRTGXYUZLKQR-UHFFFAOYSA-N;138.17;-0.44;;;;;DOPC;MDCG;27;1;"MARTINI bead: SP3_SNd";;;;;;;-1.1;;-5.34;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM444889;MM444889;CCC1CN=C(C=CN)N1;JIEMPRDYYIBYAT-UHFFFAOYSA-N;139.2;0.24;;;;;DOPC;MDCG;27;1;"MARTINI bead: SN0_SP1";;;;;;;0.34;;-3.92;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM444890;MM444890;C#CCNC=NN(C)C=O;VNNBBIIPIDPRRN-UHFFFAOYSA-N;139.16;-0.76;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_P1";;;;;;;-1.06;;-3.82;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM444891;MM444891;C#CC(OC)C1C(N)C1O;JCOJERYHPJUHGP-UHFFFAOYSA-N;141.17;-1.05;;;;;DOPC;MDCG;27;1;"MARTINI bead: Na_SP2";;;;;;;-0.24;;-5.1;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM444892;MM444892;C=NNC(C#N)=C(C)C#N;QTLVHCTUBDOLIF-UHFFFAOYSA-N;134.14;0.51;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_C5";;;;;;;0.54;;-1.09;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM444893;MM444893;CC=CC1=NC(CN)CN1;IILPTAIDRJLMBL-UHFFFAOYSA-N;139.2;-0.11;;;;;DOPC;MDCG;27;1;"MARTINI bead: SNd_SP3";;;;;;;-1.1;;-6.27;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM444894;MM444894;C#CCC(=NN)C(=O)OC;RUTXXKWQFFXAEA-UHFFFAOYSA-N;140.14;-0.5;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_N0";;;;;;;0.34;;-1.53;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM444895;MM444895;C#CC(OC)C1C(N)C1F;MXJCLJVTFYMBAE-UHFFFAOYSA-N;143.16;-0.07;;;;;DOPC;MDCG;27;1;"MARTINI bead: Na_SP1";;;;;;;0.04;;-3.71;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM444896;MM444896;N#CC1=C(N)C(C#N)NC1;KHQQPSKUSSRIAH-UHFFFAOYSA-N;134.14;-0.78;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP2_SP1";;;;;;;-1.06;;-3.82;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM444897;MM444897;CC=CC1=NCC(CO)N1;AGXXBFGBTJCMLW-UHFFFAOYSA-N;140.19;-0.07;;;;;DOPC;MDCG;27;1;"MARTINI bead: SNd_SP2";;;;;;;-0.24;;-5.22;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM444898;MM444898;C#Cc1nc(=NC)on1C;ACUTYYFWZLCAAR-UHFFFAOYSA-N;137.14;-0.48;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP1_SP2";;;;;;;-1.06;;-3.82;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM444899;MM444899;C#CC(OC)C1C(O)C1O;DSTRPPFPIQJBJT-UHFFFAOYSA-N;142.15;-1.01;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_SP2";;;;;;;-0.24;;-3.24;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM444900;MM444900;C=CC1=C(C)C(C=C)OC1;HQTKNRHUKZUGNS-UHFFFAOYSA-N;136.19;2.07;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC5_SNa";;;;;;;1.64;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM444901;MM444901;NC=CC1=NC(CO)CN1;QCWJZMXVXLQQNN-UHFFFAOYSA-N;141.17;-1.18;;;;;DOPC;MDCG;27;1;"MARTINI bead: SP1_SP2";;;;;;;-1.06;;-5.6;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM444902;MM444902;CON=CC(CF)OC=O;OOGNJYWCHSQDOH-UHFFFAOYSA-N;149.12;0.13;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_P1";;;;;;;0.04;;-2.54;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM444903;MM444903;C#CC(OC)C1C(O)C1F;UYYFKIJJUQXPHS-UHFFFAOYSA-N;144.15;-0.04;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_SP1";;;;;;;0.04;;-2.54;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM444904;MM444904;C=CC1OCC(C=O)=C1C;LOBPPBJKNOWUML-UHFFFAOYSA-N;138.17;1.09;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP1_SNa";;;;;;;0.04;;-2.54;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM444905;MM444905;CC=CC1=NC(CF)CN1;YIZZWDASYCWRDR-UHFFFAOYSA-N;142.18;0.9;;;;;DOPC;MDCG;27;1;"MARTINI bead: SNd_SP2";;;;;;;-0.24;;-5.08;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM444906;MM444906;C#Cc1nc(=NC)on1N;UPJZDIZDDBRMQD-UHFFFAOYSA-N;138.13;-1.3;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP1_SP2";;;;;;;-1.06;;-3.82;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM444907;MM444907;CC(=O)CCN(C)C(C)=O;HLSMAFGRKYSTFU-UHFFFAOYSA-N;143.19;0.44;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_P2";;;;;;;-0.24;;-3.24;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM444908;MM444908;C=CC1OCC(C#N)=C1C;OAXSQGQBGFDIHR-UHFFFAOYSA-N;135.17;1.41;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP1_SNa";;;;;;;0.04;;-2.54;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM444909;MM444909;CC=CC1=CCC(CC)O1;IBBXFCFRKNSFHW-UHFFFAOYSA-N;138.21;2.65;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC5_SC5";;;;;;;2.41;;0.64;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM444910;MM444910;C=CC(C)C(CC)C(C)O;GBWULTGRZJQKKJ-UHFFFAOYSA-N;142.24;2.22;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_C3";;;;;;;3.34;;0.48;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM444911;MM444911;C#CC(OC)C1C(C)N1C;NFBILGCKPLEISS-UHFFFAOYSA-N;139.2;0.34;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_SNd";;;;;;;0.87;;-1.88;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM444912;MM444912;C=CC1=C(C)C(C#N)OC1;SJHWYEQODHERCI-UHFFFAOYSA-N;135.17;1.41;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC5_SNa";;;;;;;1.64;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM444913;MM444913;CC=CC1=CCC(CN)O1;PEYSUUWOBQWZLZ-UHFFFAOYSA-N;139.2;1.19;;;;;DOPC;MDCG;27;1;"MARTINI bead: SC5_SP1";;;;;;;0.81;;-2.54;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM444914;MM444914;C#Cc1nc(=NC)on1O;KPYSCOUCEXVUQQ-UHFFFAOYSA-N;139.11;-0.77;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP1_SP2";;;;;;;-1.06;;-3.82;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM444915;MM444915;C#CC(CN)N1C(C)C1C;AFSYVQNBHADCCI-UHFFFAOYSA-N;138.21;0.04;;;;;DOPC;MDCG;27;1;"MARTINI bead: SP1_P3";;;;;;;-1.93;;-6.33;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM444916;MM444916;CC1=C(C#N)COC1C=O;TWQTWFFQFKGJPW-UHFFFAOYSA-N;137.14;0.42;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP1_SP1";;;;;;;-0.79;;-3.13;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM444917;MM444917;CC=CC1=CCC(CO)O1;ZKYDPIZFHXDOIA-UHFFFAOYSA-N;140.18;1.23;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC5_SNda";;;;;;;1.64;;0.05;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM444918;MM444918;C#Cc1nc(=NN)on1O;QNKKBCCYAUUWGF-UHFFFAOYSA-N;140.1;-1.53;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP1_SP3";;;;;;;-1.93;;-4.72;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM444919;MM444919;CC(F)C=NOC(=N)NN;GURRGNWANGYTAQ-UHFFFAOYSA-N;148.14;-0.26;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_P3";;;;;;;-0.33;;-2.01;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM444920;MM444920;CC1=C(C#N)COC1C#N;PJDJPPYSKXPUKH-UHFFFAOYSA-N;134.14;0.75;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP1_SNa";;;;;;;0.04;;-2.54;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM444921;MM444921;CC=CC1=CCC(CF)O1;KSRMHKCLNVTMAQ-UHFFFAOYSA-N;142.17;2.2;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC5_SNa";;;;;;;1.64;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM444922;MM444922;C=C1CC(=CC)C=C1CC;BUJYYEVENGBEHS-UHFFFAOYSA-N;134.22;3.23;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC1_SC3";;;;;;;4.61;;0.31;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM444923;MM444923;C=CC(C=C)C1C(C)C1C;QQZOMGPOTOXARU-UHFFFAOYSA-N;136.24;2.88;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC5_C2";;;;;;;3.6;;0.34;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM444924;MM444924;N#CC1OCC(C=O)=C1N;MSNLRDRSPKRRPW-UHFFFAOYSA-N;138.13;-0.68;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP2_SNa";;;;;;;-0.24;;-3.24;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM444925;MM444925;CC=CC1=CCC(OC)O1;JERCJCMNIWFBDG-UHFFFAOYSA-N;140.18;1.84;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNa_SC5";;;;;;;1.64;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM444926;MM444926;C=C1CC(=CF)C=C1CC;LDNOBCOZHQTIAU-UHFFFAOYSA-N;138.19;3.14;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC1_SC4";;;;;;;4.24;;0.42;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM444927;MM444927;C=CC(C=O)C1C(C)C1C;HQOWGFIQLDQGGQ-UHFFFAOYSA-N;138.21;1.89;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC5_Na";;;;;;;1.64;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM444928;MM444928;N#CC1=C(N)C(C#N)OC1;MLCQRMHFOSKFDL-UHFFFAOYSA-N;135.13;-0.35;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP2_SNa";;;;;;;-0.24;;-3.24;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM444929;MM444929;CC=CC1=COC(CC)O1;JRNRZHNJRDPHKS-UHFFFAOYSA-N;140.18;2.19;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNa_SNa";;;;;;;0.87;;-2.22;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM444930;MM444930;C=C1CC(=CC)C=C1CN;AWBSXWOBTYTSGO-UHFFFAOYSA-N;135.21;1.78;;;;;DOPC;MDCG;27;1;"MARTINI bead: SC3_SNd";;;;;;;2.57;;-0.91;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM444931;MM444931;C=CC(C#N)C1C(C)C1C;VETRIOQZGMEFNK-UHFFFAOYSA-N;135.21;2.21;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC5_N0";;;;;;;1.94;;0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM444932;MM444932;C=CC1=C(C)N(C=N)CC1;AWRRIWFIIJSZCQ-UHFFFAOYSA-N;136.2;1.76;;;;;DOPC;MDCG;27;1;"MARTINI bead: SN0_SP1";;;;;;;0.34;;-4.6;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM444933;MM444933;CC=CC1=COC(CN)O1;PUPWDNDOFSLCJI-UHFFFAOYSA-N;141.17;0.74;;;;;DOPC;MDCG;27;1;"MARTINI bead: SNa_SP2";;;;;;;-0.24;;-4.53;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM444934;MM444934;C=C1CC(=CC)C=C1CO;KXUKHLSLIJSYRA-UHFFFAOYSA-N;136.19;1.81;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC3_SNda";;;;;;;2.57;;0.44;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM444935;MM444935;CC1C(C)C1C(C#N)C=O;OPSJJQCRDFXLQD-UHFFFAOYSA-N;137.18;1.23;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC5_Na";;;;;;;1.64;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM444936;MM444936;CC1=C(C=O)CCN1C=N;QDOYXGMCKCHEMJ-UHFFFAOYSA-N;138.17;0.77;;;;;DOPC;MDCG;27;1;"MARTINI bead: SP1_SP1";;;;;;;-0.79;;-5.58;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM444937;MM444937;CC=CC1=COC(CO)O1;CMEOQDDWJHOMKB-UHFFFAOYSA-N;142.15;0.77;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNa_SP1";;;;;;;0.04;;-2.54;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM444938;MM444938;C=C1CC(=NN)C=C1CC;PLMGRJYKQLCWHN-UHFFFAOYSA-N;136.2;1.6;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC1_SNd";;;;;;;2.91;;0.63;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM444939;MM444939;CC1C(C)C1C(C#N)C#N;SRWAUFZOTYHVAZ-UHFFFAOYSA-N;134.18;1.55;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC5_P2";;;;;;;0.54;;-1.09;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM444940;MM444940;CC1=C(C#N)CCN1C=N;OXKUACCWDJJHNC-UHFFFAOYSA-N;135.17;1.1;;;;;DOPC;MDCG;27;1;"MARTINI bead: SP1_SP1";;;;;;;-0.79;;-5.27;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM444941;MM444941;CC=CC1=NOC(CC)O1;ZOOUUOBAGDWCMR-UHFFFAOYSA-N;141.17;1.66;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNa_SNa";;;;;;;0.87;;-2.22;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM444942;MM444942;CN=CNC(C#N)=C(F)F;KQVFJWFTKMAMRF-UHFFFAOYSA-N;145.11;0.87;;;;;DOPC;MDCG;27;0;"MARTINI bead: N0_Nd";;;;;;;1.17;;-1.04;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM444943;MM444943;C=CC(C=C)C1C(C)C1N;ROZKXQPSMUONOU-UHFFFAOYSA-N;137.23;1.57;;;;;DOPC;MDCG;27;1;"MARTINI bead: SNd_C2";;;;;;;2.83;;-0.6;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM444944;MM444944;C=CC1=C(C)N(C=O)CC1;AVBAXTQSOSRFEC-UHFFFAOYSA-N;137.18;1.31;;;;;DOPC;MDCG;27;0;"MARTINI bead: SN0_SP1";;;;;;;0.34;;-1.53;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM444945;MM444945;CC=CC1=CCN(CC)C1;MZSPDGDAAGSQJH-UHFFFAOYSA-N;137.23;1.82;;;;;DOPC;MDCG;27;1;"MARTINI bead: SNd_SN0";;;;;;;1.17;;-3.03;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM444946;MM444946;C=c1oc(=CC)cc1CC;KBOYSSBNBLKWMA-UHFFFAOYSA-N;136.19;1.05;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC4_SC4";;;;;;;3.53;;0.53;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM444947;MM444947;CN=CNN=CCC(C)F;MWTRBAFSWJZZQS-UHFFFAOYSA-N;145.18;0.97;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_C5";;;;;;;0.81;;-0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM444948;MM444948;CC1=C(C=O)CCN1C=O;NVEDJCCUSVUWMI-UHFFFAOYSA-N;139.15;0.32;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP1_SP1";;;;;;;-0.79;;-3.13;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM444949;MM444949;C=CC1CC=C(C=CC)C1;DDJXKSKEVWTXFR-UHFFFAOYSA-N;134.22;3.08;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC2_SC3";;;;;;;4.53;;0.32;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM444950;MM444950;C=c1oc(=CF)cc1CC;UXVUEKKXWLJVPV-UHFFFAOYSA-N;140.16;0.96;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC4_SNa";;;;;;;2.2;;0.34;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM444951;MM444951;CC1C(O)C1C(C=O)C=O;BJPWJQOIPQVAJE-UHFFFAOYSA-N;142.15;-0.37;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNda_Na";;;;;;;0.87;;-1.99;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM444952;MM444952;CC1=C(C#N)CCN1C=O;AEZMBGLQUSXIQI-UHFFFAOYSA-N;136.15;0.65;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP1_SP1";;;;;;;-0.79;;-3.13;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM444953;MM444953;CC=CC1=CCC(C=O)C1;HUILUUCZYHKVQH-UHFFFAOYSA-N;136.19;2.1;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC2_SNa";;;;;;;2.83;;0.35;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM444954;MM444954;C=c1oc(=CC)cc1CN;CYGGLUYROFNJCS-UHFFFAOYSA-N;137.18;-0.05;;;;;DOPC;MDCG;27;1;"MARTINI bead: SC4_SNd";;;;;;;2.2;;-1.53;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM444955;MM444955;CC1C(O)C1C(C#N)C=O;QPNNRGKWRPPRNL-UHFFFAOYSA-N;139.15;-0.05;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNda_Na";;;;;;;0.87;;-1.99;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM444956;MM444956;N=CN1CCC(C=O)=C1N;QNYFNPBUJYZPRW-UHFFFAOYSA-N;139.16;-0.33;;;;;DOPC;MDCG;27;1;"MARTINI bead: SP2_SP1";;;;;;;-1.06;;-7.28;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM444957;MM444957;CC=CC1=CCC(C#N)C1;QRRPQYZXADJEIU-UHFFFAOYSA-N;133.19;2.42;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC2_SN0";;;;;;;3.13;;0.3;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM444958;MM444958;C=c1oc(=CF)cc1CN;MEWRJZQPQCQZDK-UHFFFAOYSA-N;141.15;-0.14;;;;;DOPC;MDCG;27;1;"MARTINI bead: SNd_SNa";;;;;;;0.87;;-3.99;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM444959;MM444959;CC1C(O)C1C(C#N)C#N;KJIOEQFJHMGSSA-UHFFFAOYSA-N;136.15;0.28;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNda_P2";;;;;;;-0.24;;-3.31;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM444960;MM444960;N#CC1=C(N)N(C=N)CC1;VVZQHFKGQNNMEU-UHFFFAOYSA-N;136.16;-0.01;;;;;DOPC;MDCG;27;1;"MARTINI bead: SP1_SP1";;;;;;;-0.79;;-6.39;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM444961;MM444961;C=CC1CC(C=CC)=CO1;WZJZOCUTPQLYHB-UHFFFAOYSA-N;136.19;2.42;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC5_SC5";;;;;;;2.41;;0.64;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM444962;MM444962;C=c1oc(=CC)cc1CO;GIFBYSIBRMCEMW-UHFFFAOYSA-N;138.17;-0.02;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC4_SNda";;;;;;;2.2;;0.49;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM444963;MM444963;C=CC(C=C)C1C(C)C1F;CCRQWCCKDFKJGE-UHFFFAOYSA-N;140.2;2.58;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNa_C2";;;;;;;2.83;;0.35;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM444964;MM444964;N#CC1=C(N)N(C=O)CC1;KIYNCBTYORHYKD-UHFFFAOYSA-N;137.14;-0.46;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP1_SP1";;;;;;;-0.79;;-3.13;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM444965;MM444965;CC=CC1=COC(C=O)C1;MUTYNQBWAFUSPF-UHFFFAOYSA-N;138.17;1.43;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC5_SNa";;;;;;;1.64;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM444966;MM444966;C=c1oc(=CF)cc1CO;XKBBARPABDWMKF-UHFFFAOYSA-N;142.13;-0.11;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNda_SNa";;;;;;;0.87;;-1.99;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM444967;MM444967;C=CC(C=C)C1C(N)C1O;ZHHFNUAGVRUJNM-UHFFFAOYSA-N;139.2;0.29;;;;;DOPC;MDCG;27;1;"MARTINI bead: SP2_C2";;;;;;;1.72;;-1.25;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM444968;MM444968;C=NN1CCC(C=O)=C1C;JTCKIWRZTPMYFW-UHFFFAOYSA-N;138.17;0.78;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP1_SP1";;;;;;;-0.79;;-3.13;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM444969;MM444969;CC=CC1=COC(C#N)C1;NMWXSBHUHJMCDC-UHFFFAOYSA-N;135.17;1.76;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC5_SNa";;;;;;;1.64;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM444970;MM444970;C=c1oc(=CC)cc1CF;KCGJQRPEVAJPQZ-UHFFFAOYSA-N;140.16;0.96;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC4_SC5";;;;;;;2.97;;0.45;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM444971;MM444971;C=CC(C=C)C1C(O)C1O;XEHQGMNGFXTHLB-UHFFFAOYSA-N;140.18;0.33;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP2_C2";;;;;;;1.72;;0.27;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM444972;MM444972;C=NN1CCC(C#N)=C1C;NWYAPGBTFUJCBP-UHFFFAOYSA-N;135.17;1.11;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP1_SP1";;;;;;;-0.79;;-3.13;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM444973;MM444973;C=CC1CC(C=CC)=NN1;SMCIAGNQTJIIRO-UHFFFAOYSA-N;136.2;1.47;;;;;DOPC;MDCG;27;0;"MARTINI bead: SN0_SNd";;;;;;;1.17;;-1.04;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM444974;MM444974;C=c1oc(=CF)cc1CF;WPKTTXPOGSKYOI-UHFFFAOYSA-N;144.12;0.87;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC5_SNa";;;;;;;1.64;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM444975;MM444975;C=CC(C=O)C1C(O)C1O;FZHLZDVQLDZADI-UHFFFAOYSA-N;142.15;-0.66;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP2_Na";;;;;;;-0.24;;-3.24;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM444976;MM444976;C=CC1=C(C)N(C=N)NC1;SSYNTYIYPMZUAX-UHFFFAOYSA-N;137.19;0.87;;;;;DOPC;MDCG;27;1;"MARTINI bead: SP1_SP3";;;;;;;-1.93;;-6.61;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM444977;MM444977;C=COCC(=NN)OCC;PBAQRQTUYQNVHL-UHFFFAOYSA-N;144.17;0.46;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda_Na";;;;;;;0.87;;-1.99;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM444978;MM444978;C=c1oc(=CC)cc1OC;CTVBYOVDIPVKSU-UHFFFAOYSA-N;138.17;0.5;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNa_SC4";;;;;;;2.2;;0.34;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM444979;MM444979;C=CN(C=N)C1C(C)C1C;KQAFINGOYGYIGS-UHFFFAOYSA-N;138.21;1.69;;;;;DOPC;MDCG;27;1;"MARTINI bead: SC5_P1";;;;;;;0.81;;-3.96;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM444980;MM444980;CC1=C(C=O)CNN1C=N;OJZZPVKIFMNIJW-UHFFFAOYSA-N;139.16;-0.11;;;;;DOPC;MDCG;27;1;"MARTINI bead: SP2_SP3";;;;;;;-2.2;;-6.46;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM444981;MM444981;C=CCOC(COC)=NN;PQHHGKVXMGFCDJ-UHFFFAOYSA-N;144.17;0.11;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_N0";;;;;;;0.34;;-1.53;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM444982;MM444982;C=C1NC(=NC)N=C1CC;SIUSBYBRFSNMAN-UHFFFAOYSA-N;137.19;0.94;;;;;DOPC;MDCG;27;1;"MARTINI bead: SN0_SP1";;;;;;;0.34;;-3.39;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM444983;MM444983;C=CN(C=O)C1C(C)C1C;VVEKODDOPKBZIL-UHFFFAOYSA-N;139.2;1.24;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC5_P2";;;;;;;0.54;;-1.09;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM444984;MM444984;C=CC1=C(C)N(C=O)NC1;FPFXVJQKQWAZGL-UHFFFAOYSA-N;138.17;0.42;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP1_SP2";;;;;;;-1.06;;-3.82;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM444985;MM444985;N=CC=C1CC(C=O)NN1;PIFFHRSDZNCZMA-UHFFFAOYSA-N;139.16;-0.41;;;;;DOPC;MDCG;27;1;"MARTINI bead: SP2_SP3";;;;;;;-2.2;;-9.08;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM444986;MM444986;C=C1NC(=NO)N=C1CC;QFXVCYGNNPORCN-UHFFFAOYSA-N;139.16;0.7;;;;;DOPC;MDCG;27;0;"MARTINI bead: SN0_SP2";;;;;;;0.06;;-2.21;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM444987;MM444987;C=CN(C=N)C1C(C)C1N;JPHCNEJBAPHNJF-UHFFFAOYSA-N;139.2;0.38;;;;;DOPC;MDCG;27;1;"MARTINI bead: SNd_P1";;;;;;;0.04;;-5.8;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM444988;MM444988;C=COC(COCC)=NN;ZZRPCLXTNXLOST-UHFFFAOYSA-N;144.17;0.46;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_Nda";;;;;;;0.87;;-1.99;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM444989;MM444989;CC1=C(C#N)CNN1C=O;JJONOSUAJFOFHJ-UHFFFAOYSA-N;137.14;-0.24;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP2_SP2";;;;;;;-1.34;;-4.31;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM444990;MM444990;C=C1NC(=NC)N=C1CN;JDDNQONMLOAWFV-UHFFFAOYSA-N;138.17;-0.51;;;;;DOPC;MDCG;27;1;"MARTINI bead: SP1_SP2";;;;;;;-1.06;;-5.36;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM444991;MM444991;C=CN(C=O)C1C(C)C1N;IOOJCHQJOXRYFB-UHFFFAOYSA-N;140.19;-0.07;;;;;DOPC;MDCG;27;1;"MARTINI bead: SNd_P2";;;;;;;-0.24;;-4.74;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM444992;MM444992;C=CC1CC(C=CC)=NO1;OZBSKIZHPKRDLF-UHFFFAOYSA-N;137.18;1.89;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC5_SNa";;;;;;;1.64;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM444993;MM444993;N#CC1=C(N)N(C=O)NC1;NLIYDOYWPKFEKH-UHFFFAOYSA-N;138.13;-1.34;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP2_SP2";;;;;;;-1.34;;-4.31;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM444994;MM444994;C=CC1=CC(=CC)CC1=C;IBNGCGHAYQVVPN-UHFFFAOYSA-N;132.21;3.01;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC3_SC3";;;;;;;4.27;;0.2;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM444995;MM444995;C=CN(C=N)C1C(C)C1O;SZURNKVLEPAMDN-UHFFFAOYSA-N;140.19;0.42;;;;;DOPC;MDCG;27;1;"MARTINI bead: SNda_P1";;;;;;;0.04;;-5.59;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM444996;MM444996;C=COCC(=NN)OC=C;DKTJJVTZJLLCNP-UHFFFAOYSA-N;142.16;0.58;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda_Na";;;;;;;0.87;;-1.99;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM444997;MM444997;C#CC1=C(C)C(C=C)CC1;YOGGKYYOOKHNNA-UHFFFAOYSA-N;132.21;2.53;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC5_SC4";;;;;;;2.97;;0.45;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM444998;MM444998;C=CC1=CC(=CF)CC1=C;XUWPHSSOMYCSHY-UHFFFAOYSA-N;136.17;2.91;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC4_SC3";;;;;;;3.9;;0.47;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM444999;MM444999;C=CN(C=O)C1C(C)C1O;QFGJPPFLKSOYLJ-UHFFFAOYSA-N;141.17;-0.03;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNda_P2";;;;;;;-0.24;;-3.31;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM445000;MM445000;CC=CC1=NOC(C#N)C1;HRYWHMGQFOQODU-UHFFFAOYSA-N;136.15;1.23;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC5_SP1";;;;;;;0.81;;-0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM445001;MM445001;C#CC1=C(C)C(C=O)CC1;RIBHDZHGHDDKLU-UHFFFAOYSA-N;134.18;1.55;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC5_SNa";;;;;;;1.64;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM445002;MM445002;C=C1CC(=CC)C=C1C=O;MLFWKTWGDODQCW-UHFFFAOYSA-N;134.18;2.02;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC3_SC5";;;;;;;3.34;;0.48;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM445003;MM445003;C=CN(C=N)C1C(N)C1N;LYEMEFUXBNNIHH-UHFFFAOYSA-N;140.19;-0.92;;;;;DOPC;MDCG;27;1;"MARTINI bead: SP3_P1";;;;;;;-1.93;;-7.48;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM445004;MM445004;N#CC1CC(C=CN)=NO1;KKZJHZCJIUQEOD-UHFFFAOYSA-N;137.14;0.13;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNd_SP1";;;;;;;0.04;;-2.63;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM445005;MM445005;C#CC1=C(C)C(C#N)CC1;NSZZRBWVRAZBEJ-UHFFFAOYSA-N;131.18;1.87;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC5_SN0";;;;;;;1.94;;0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM445006;MM445006;C=C1CC(=CC)C=C1C#N;GURIFPZOWGEOTK-UHFFFAOYSA-N;131.18;2.34;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC3_SC5";;;;;;;3.34;;0.48;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM445007;MM445007;C=CN(C=O)C1C(N)C1N;OPFFIKXCLXOXTG-UHFFFAOYSA-N;141.17;-1.37;;;;;DOPC;MDCG;27;1;"MARTINI bead: SP3_P2";;;;;;;-2.2;;-6.21;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM445008;MM445008;C=CC1CNC(C=CC)=N1;PHUXJYJFNNHTPN-UHFFFAOYSA-N;136.2;1.12;;;;;DOPC;MDCG;27;1;"MARTINI bead: SNd_SP1";;;;;;;0.04;;-4.73;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM445009;MM445009;C#CC1=C(C)C(C=C)CO1;BWHDHYNHRXGTMD-UHFFFAOYSA-N;134.18;1.73;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNa_SC5";;;;;;;1.64;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM445010;MM445010;C=C1CC(=CF)C=C1C#N;VQMYJVDMDDOLCO-UHFFFAOYSA-N;135.14;2.25;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC4_SC5";;;;;;;2.97;;0.45;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM445011;MM445011;C=CN(C=N)C1C(N)C1O;FRAJUPHPTTZISJ-UHFFFAOYSA-N;141.17;-0.89;;;;;DOPC;MDCG;27;1;"MARTINI bead: SP2_P1";;;;;;;-1.06;;-6.37;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM445012;MM445012;CC=CC1=NC(C=O)CN1;GCWGKCSYHBHGFX-UHFFFAOYSA-N;138.17;0.13;;;;;DOPC;MDCG;27;1;"MARTINI bead: SNd_SP2";;;;;;;-0.24;;-4.27;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM445013;MM445013;C#CC1=C(C)C(C=O)CO1;HWSSYTPJFYUDHM-UHFFFAOYSA-N;136.15;0.74;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNa_SNa";;;;;;;0.87;;-2.22;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM445014;MM445014;C=CC1=CC(=CF)CC1=O;XSQNLIBAVZLMBI-UHFFFAOYSA-N;138.14;1.93;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC4_SNa";;;;;;;2.2;;0.34;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM445015;MM445015;C=CC=NNC(=N)C#CC;GHBLLDJSGOARRH-UHFFFAOYSA-N;135.17;0.75;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nd_Nd";;;;;;;0.87;;-2.11;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM445016;MM445016;C=CC1CC=C(C=CC)O1;PKKCLRMPOIJOME-UHFFFAOYSA-N;136.19;2.42;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC5_SC5";;;;;;;2.41;;0.64;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM445017;MM445017;C#CC1=C(C)C(C#N)CO1;LKPRWXQIQHJBSX-UHFFFAOYSA-N;133.15;1.06;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNa_SN0";;;;;;;1.17;;-1.18;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM445018;MM445018;C=CC1=CC(=NN)CC1=C;APBQMJOAAJYOAB-UHFFFAOYSA-N;134.18;1.37;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNd_SC3";;;;;;;2.57;;0.53;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM445019;MM445019;CC#CC#CC(F)C=NN;GLWPXIRWMXTJRF-UHFFFAOYSA-N;138.15;0.3;;;;;DOPC;MDCG;27;0;"MARTINI bead: C3_P1";;;;;;;1.74;;0.29;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM445020;MM445020;CC=CC1=CCC(C=O)O1;UKJRKEPXJLZCDL-UHFFFAOYSA-N;138.17;1.43;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC5_SNa";;;;;;;1.64;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM445021;MM445021;C#CC1=C(C)C(C=C)NC1;JIMIMGWKATWKPV-UHFFFAOYSA-N;133.19;1.09;;;;;DOPC;MDCG;27;1;"MARTINI bead: SP1_SNd";;;;;;;0.04;;-4.78;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM445022;MM445022;C=CC1=CC(=NO)CC1=C;LHLIQRRIUPPLKH-UHFFFAOYSA-N;135.17;1.89;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNda_SC3";;;;;;;2.57;;0.44;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM445023;MM445023;C=CC(C#N)C1C(C)N1C;RSJUMNYKHJRSQV-UHFFFAOYSA-N;136.2;1.01;;;;;DOPC;MDCG;27;0;"MARTINI bead: N0_SNd";;;;;;;1.17;;-1.04;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM445024;MM445024;CC=CC1=CCC(C#N)O1;HWWRIFCMCUUZSJ-UHFFFAOYSA-N;135.17;1.76;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC5_SN0";;;;;;;1.94;;0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM445025;MM445025;C#CC1=C(C)C(C#N)NC1;FIFAMRLCXSPUDV-UHFFFAOYSA-N;132.17;0.43;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP1_SP1";;;;;;;-0.79;;-3.13;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM445026;MM445026;C=C1CC(=NO)C=C1C=O;NWAFLYXHHQYSHX-UHFFFAOYSA-N;137.14;0.9;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNda_SC5";;;;;;;1.64;;0.05;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM445027;MM445027;C=CC(C=O)NN(C)C=O;CMTJFMDZTDSZDL-UHFFFAOYSA-N;142.16;-0.67;;;;;DOPC;MDCG;27;0;"MARTINI bead: P4_Na";;;;;;;-1.19;;-4.76;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM445028;MM445028;C=CC1OC=C(C=CC)O1;JFPSBIWAVPFACH-UHFFFAOYSA-N;138.17;1.96;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNa_SNa";;;;;;;0.87;;-2.22;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM445029;MM445029;C#CC1=C(C)C(C=C)OC1;UMFUTIKLUJSMRE-UHFFFAOYSA-N;134.18;1.52;;;;;DOPC;MDCG;27;0;"MARTINI bead: SN0_SNa";;;;;;;1.17;;-1.18;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM445030;MM445030;C=C1CC(=NO)C=C1C#N;UWRJZOSOLSIAPZ-UHFFFAOYSA-N;134.14;1.23;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNda_SC5";;;;;;;1.64;;0.05;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM445031;MM445031;CC1C(C(C#N)C#N)N1C;NDGDWXPXVVJBQC-UHFFFAOYSA-N;135.17;0.35;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNd_P2";;;;;;;-0.24;;-3.16;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM445032;MM445032;CC=CC1=COC(C=O)O1;YLKYCGJPXHJZID-UHFFFAOYSA-N;140.14;0.98;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNa_SP1";;;;;;;0.04;;-2.54;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM445033;MM445033;C#CC1=C(C)C(C=O)OC1;DPWGBKMQKGSJBH-UHFFFAOYSA-N;136.15;0.53;;;;;DOPC;MDCG;27;0;"MARTINI bead: SN0_SP1";;;;;;;0.34;;-1.53;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM445034;MM445034;C=CC1=CC(=CC)NC1=N;YGVYQGNETIWYBY-UHFFFAOYSA-N;134.18;1.58;;;;;DOPC;MDCG;27;1;"MARTINI bead: SNd_SNd";;;;;;;0.87;;-4.85;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM445035;MM445035;CC1C(C)N1C(C#N)C#N;LFBXOPIMHFPTLO-UHFFFAOYSA-N;135.17;0.49;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP1_P2";;;;;;;-1.06;;-3.82;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM445036;MM445036;CC=CC1=COC(C#N)O1;SGNCKQPPQWFRFH-UHFFFAOYSA-N;137.14;1.3;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNa_SNa";;;;;;;0.87;;-2.22;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM445037;MM445037;C#CC1=C(C)C(C#N)OC1;PWCXJDIXVXQZKJ-UHFFFAOYSA-N;133.15;0.86;;;;;DOPC;MDCG;27;0;"MARTINI bead: SN0_SNa";;;;;;;1.17;;-1.18;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM445038;MM445038;C=CC1=CC(=CF)NC1=N;QEAZSEOEOIBPON-UHFFFAOYSA-N;138.15;1.49;;;;;DOPC;MDCG;27;1;"MARTINI bead: SNda_SNd";;;;;;;0.87;;-3.13;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM445039;MM445039;C=CN(C=N)N1C(C)C1C;OYCCJDAYTJLZDE-UHFFFAOYSA-N;139.2;1.05;;;;;DOPC;MDCG;27;1;"MARTINI bead: SP1_P3";;;;;;;-1.93;;-7.26;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM445040;MM445040;C=CC1ON=C(C=CC)O1;BWJCMBAUUJOMNS-UHFFFAOYSA-N;139.15;1.43;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNa_SNa";;;;;;;0.87;;-2.22;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM445041;MM445041;C#CC1=C(C)N(C=N)CC1;HTELQFUIIKBGPP-UHFFFAOYSA-N;134.18;1.21;;;;;DOPC;MDCG;27;1;"MARTINI bead: SN0_SP1";;;;;;;0.34;;-4.13;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM445042;MM445042;C=CC1=CC(=NC)NC1=C;YWWZOBUFNJQNQG-UHFFFAOYSA-N;134.18;1.24;;;;;DOPC;MDCG;27;1;"MARTINI bead: SNd_SN0";;;;;;;1.17;;-3.07;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM445043;MM445043;C#CC(C=C)C1C(C)C1C;IJRSVVHOWBTWAA-UHFFFAOYSA-N;134.22;2.32;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC5_C5";;;;;;;2.41;;0.64;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM445044;MM445044;CC=CC1=CCN(C=N)C1;ILVRWDOQNRBXPE-UHFFFAOYSA-N;136.2;1.41;;;;;DOPC;MDCG;27;1;"MARTINI bead: SN0_SP1";;;;;;;0.34;;-4.69;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM445045;MM445045;C#CC1=C(C)N(C=O)CC1;FKONHESIYLRJTH-UHFFFAOYSA-N;135.17;0.76;;;;;DOPC;MDCG;27;0;"MARTINI bead: SN0_SP1";;;;;;;0.34;;-1.53;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM445046;MM445046;C=CC1=CC(=NO)NC1=C;AAWBXBPGXSGBFB-UHFFFAOYSA-N;136.15;1;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP1_SN0";;;;;;;0.34;;-1.53;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM445047;MM445047;C#CC(C=O)C1C(C)C1C;IBYIRMBOBKIRES-UHFFFAOYSA-N;136.19;1.34;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC5_Na";;;;;;;1.64;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM445048;MM445048;CC=CC1=CCN(C=O)C1;FQMLZIMMGJMSLY-UHFFFAOYSA-N;137.18;0.96;;;;;DOPC;MDCG;27;0;"MARTINI bead: SN0_SP1";;;;;;;0.34;;-1.53;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM445049;MM445049;C#CC1=C(C)N(C=N)NC1;VITJACUVGPADIL-UHFFFAOYSA-N;135.17;0.32;;;;;DOPC;MDCG;27;1;"MARTINI bead: SP2_SP3";;;;;;;-2.2;;-6.64;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM445050;MM445050;C=C1NC(=NO)C=C1C#N;GMIHOXKAZURGPJ-UHFFFAOYSA-N;135.13;0.34;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP1_SN0";;;;;;;0.34;;-1.53;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM445051;MM445051;C#CC(C#N)C1C(C)C1C;MKUNVTPMMCKHRI-UHFFFAOYSA-N;133.19;1.66;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC5_N0";;;;;;;1.94;;0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM445052;MM445052;N=CN1CC=C(C=NN)C1;LXNPTEQKLIEBNG-UHFFFAOYSA-N;138.17;-0.22;;;;;DOPC;MDCG;27;1;"MARTINI bead: SP2_SP1";;;;;;;-1.06;;-6.91;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM445053;MM445053;C#CC1=C(C)N(C=O)NC1;JTSRYDNVZTXYGX-UHFFFAOYSA-N;136.15;-0.13;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP2_SP2";;;;;;;-1.34;;-4.31;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM445054;MM445054;C=Cc1cc(=CC)oc1=C;PUWDWBFWRAGQFU-UHFFFAOYSA-N;134.18;1.13;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC4_SC5";;;;;;;2.97;;0.45;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM445055;MM445055;C#CC(C=C)C1C(C)C1N;WCEHTSDFSSNKQZ-UHFFFAOYSA-N;135.21;1.02;;;;;DOPC;MDCG;27;1;"MARTINI bead: SNd_C5";;;;;;;1.64;;-2.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM445056;MM445056;NN=CC1=CCN(C=O)C1;XYJFZJJRWJMKAS-UHFFFAOYSA-N;139.16;-0.67;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP2_SP1";;;;;;;-1.06;;-3.82;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM445057;MM445057;C#CC1CCC(CC)=C1C;FIXZYTXVCQRLIP-UHFFFAOYSA-N;134.22;2.76;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC1_SC5";;;;;;;3.68;;0.46;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM445058;MM445058;C=Cc1cc(=CF)oc1=C;UZMBWSBJMDNACM-UHFFFAOYSA-N;138.14;1.04;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNa_SC5";;;;;;;1.64;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM445059;MM445059;C=CC(=O)CN(CC)N=C;KFOPEVUAISMNIJ-UHFFFAOYSA-N;140.19;0.68;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_N0";;;;;;;0.34;;-1.53;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM445060;MM445060;C=NN1CC=C(C=CC)C1;GVJDHCPVMPPPSH-UHFFFAOYSA-N;136.2;1.42;;;;;DOPC;MDCG;27;0;"MARTINI bead: SN0_SP1";;;;;;;0.34;;-1.53;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM445061;MM445061;C#CC1CCC(CN)=C1C;RPQPYYUCSCWLRK-UHFFFAOYSA-N;135.21;1.3;;;;;DOPC;MDCG;27;1;"MARTINI bead: SNd_SC5";;;;;;;1.64;;-2.13;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM445062;MM445062;C=c1oc(=CC)cc1C=O;QAKOAUPMLBQMBY-UHFFFAOYSA-N;136.15;0.3;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC4_SNa";;;;;;;2.2;;0.34;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM445063;MM445063;C#CC(C=O)C1C(C)C1O;ISOUEYPDKLWFQE-UHFFFAOYSA-N;138.17;0.06;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNda_Na";;;;;;;0.87;;-1.99;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM445064;MM445064;C=NN1CC=C(C=NN)C1;ZAVIGZBTBFXVOH-UHFFFAOYSA-N;138.17;-0.21;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP2_SP1";;;;;;;-1.06;;-3.82;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM445065;MM445065;C#CC(=NC=CF)NN=C;OYVCYBCGLHECMU-UHFFFAOYSA-N;139.13;0.66;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_Nd";;;;;;;1.64;;0.02;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM445066;MM445066;C=c1oc(=CC)cc1C#N;CCRPKLAYXFTHFC-UHFFFAOYSA-N;133.15;0.36;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC4_SN0";;;;;;;2.5;;0.44;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM445067;MM445067;C#CC(C=C)C1C(C)C1F;DFQYCUPTISAOTM-UHFFFAOYSA-N;138.19;2.03;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNa_C5";;;;;;;1.64;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM445068;MM445068;N=CN1CC(C=NN)=CN1;PYKXRCFFVAYYIO-UHFFFAOYSA-N;139.16;-0.76;;;;;DOPC;MDCG;27;1;"MARTINI bead: SP3_SP2";;;;;;;-2.2;;-6.51;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM445069;MM445069;C#CC1CCC(CF)=C1C;XVHSAVGOUXTGOJ-UHFFFAOYSA-N;138.19;2.32;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC4_SC5";;;;;;;2.97;;0.45;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM445070;MM445070;C=c1oc(=CF)cc1C=O;VYJGPHUJHNLLBK-UHFFFAOYSA-N;140.11;0.21;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNa_SNa";;;;;;;0.87;;-2.22;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM445071;MM445071;C#CC(C#N)C1C(C)C1F;IYDXZNFXSJAEIH-UHFFFAOYSA-N;137.16;1.36;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNa_N0";;;;;;;1.17;;-1.18;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM445072;MM445072;C#CC1CC=C(C=CC)C1;JTQGXXJSAWYCPS-UHFFFAOYSA-N;132.21;2.53;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC2_SC5";;;;;;;3.6;;0.34;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM445073;MM445073;C#CC1CCC(OC)=C1C;AXIHQHLFLMNTAH-UHFFFAOYSA-N;136.19;1.95;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC4_SC5";;;;;;;2.97;;0.45;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM445074;MM445074;C=c1oc(=CF)cc1C#N;YLSDZBAYKYNOJS-UHFFFAOYSA-N;137.11;0.27;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNa_SN0";;;;;;;1.17;;-1.18;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM445075;MM445075;C#CC(C=C)C1C(N)C1N;GWKOFFYXKWFNIY-UHFFFAOYSA-N;136.2;-0.29;;;;;DOPC;MDCG;27;1;"MARTINI bead: SP3_C5";;;;;;;-0.33;;-4.05;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM445076;MM445076;C#CC1CC=C(C=NN)C1;PUGCDSPIZGNHCC-UHFFFAOYSA-N;134.18;0.9;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNd_SC5";;;;;;;1.64;;0.02;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM445077;MM445077;C#CC1COC(CC)=C1C;QQRGRLOQYKJWJG-UHFFFAOYSA-N;136.19;1.95;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC4_SN0";;;;;;;2.5;;0.44;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM445078;MM445078;C#CC(C=NN=CC)=NN;JCOMECHBKCNKQM-UHFFFAOYSA-N;136.16;0.01;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_P1";;;;;;;0.81;;-0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM445079;MM445079;C#CC(C=C)C1C(N)C1O;KFBRKAUQDBPMSC-UHFFFAOYSA-N;137.18;-0.26;;;;;DOPC;MDCG;27;1;"MARTINI bead: SP2_C5";;;;;;;0.54;;-3.01;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM445080;MM445080;C#CC1CC(C=CC)=CO1;BSPIXWAJFPGCAC-UHFFFAOYSA-N;134.18;1.87;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC5_SNa";;;;;;;1.64;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM445081;MM445081;C#CC1COC(CN)=C1C;XYMFHIJUUUHQRZ-UHFFFAOYSA-N;137.18;0.5;;;;;DOPC;MDCG;27;1;"MARTINI bead: SP1_SN0";;;;;;;0.34;;-2.97;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM445082;MM445082;C=CC1=CC(=NO)OC1=C;ZXPNUUDFCXVNBY-UHFFFAOYSA-N;137.14;1.43;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP1_SC5";;;;;;;0.81;;-0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM445083;MM445083;C#CC(C=O)C1C(O)C1O;ZUOFNNYWCKNITR-UHFFFAOYSA-N;140.14;-1.21;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP2_Na";;;;;;;-0.24;;-3.24;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM445084;MM445084;C#CC1CC(C=NN)=CO1;HRDUHGCWGHXYIJ-UHFFFAOYSA-N;136.15;0.24;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNd_SNa";;;;;;;0.87;;-1.88;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM445085;MM445085;C#CC1COC(CO)=C1C;APLLSFSLAIKOOZ-UHFFFAOYSA-N;138.17;0.53;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNda_SN0";;;;;;;1.17;;-1.13;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM445086;MM445086;C=CC1=NC(=NC)NC1=C;VVUMCSDLQUVYSX-UHFFFAOYSA-N;135.17;0.72;;;;;DOPC;MDCG;27;1;"MARTINI bead: SP1_SN0";;;;;;;0.34;;-3.71;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM445087;MM445087;C#CC(C=C)C1C(O)C1F;DJKNLXAQBPHAIZ-UHFFFAOYSA-N;140.16;0.75;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP1_C5";;;;;;;0.81;;-0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM445088;MM445088;C=COC(COC=O)=NN;ZBRWKVAFMRBYOE-UHFFFAOYSA-N;144.13;-0.41;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_P1";;;;;;;0.81;;-0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM445089;MM445089;C#CC1NCC(CC)=C1C;UZKBMFYWZDEFAN-UHFFFAOYSA-N;135.21;1.32;;;;;DOPC;MDCG;27;1;"MARTINI bead: SN0_SP1";;;;;;;0.34;;-3.83;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM445090;MM445090;C=CC1=NC(=NO)NC1=C;UDCHGKFXSUUFFS-UHFFFAOYSA-N;137.14;0.48;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP2_SN0";;;;;;;0.06;;-2.21;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM445091;MM445091;CCN(C=O)CCC(C)=O;IUKRMXAOQFCKMO-UHFFFAOYSA-N;143.19;0.44;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_P1";;;;;;;0.04;;-2.54;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM445092;MM445092;C#CC1CC(C=CC)=NO1;YCKWQVHBJKKRJC-UHFFFAOYSA-N;135.17;1.34;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC5_SNa";;;;;;;1.64;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM445093;MM445093;C#CC1NCC(CN)=C1C;PJMYPTQTXZVYJS-UHFFFAOYSA-N;136.2;-0.13;;;;;DOPC;MDCG;27;1;"MARTINI bead: SP2_SP1";;;;;;;-1.06;;-6.03;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM445094;MM445094;C#CC1=CC(=CC)CC1=C;ZINIVTAONVKRRH-UHFFFAOYSA-N;130.19;2.45;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC3_SC5";;;;;;;3.34;;0.48;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM445095;MM445095;C=CC(=C)NC=NN=CC;DKTCXPFUKVKVEX-UHFFFAOYSA-N;137.19;1.31;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_Nd";;;;;;;1.64;;0.02;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM445096;MM445096;C#CC1CC(C=CN)=NO1;RLQHXTZIUYWJRL-UHFFFAOYSA-N;136.15;0.24;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNd_SNa";;;;;;;0.87;;-1.88;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM445097;MM445097;C#CC1NCC(CO)=C1C;PCNVRLSNDLZRTN-UHFFFAOYSA-N;137.18;-0.1;;;;;DOPC;MDCG;27;1;"MARTINI bead: SP2_SP1";;;;;;;-1.06;;-5.6;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM445098;MM445098;C#CC1=CC(=CF)CC1=C;HKXIEBDANUPPMO-UHFFFAOYSA-N;134.15;2.36;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC4_SC5";;;;;;;2.97;;0.45;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM445099;MM445099;C#CC(C=C)N1C(C)C1C;ZAMGVFSVYVJDBJ-UHFFFAOYSA-N;135.21;1.27;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP1_P1";;;;;;;-0.79;;-3.13;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM445100;MM445100;C#CC1CC=C(C=CC)O1;FQSOZBPFFFCDNC-UHFFFAOYSA-N;134.18;1.87;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC5_SN0";;;;;;;1.94;;0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM445101;MM445101;C#CC1NCC(OC)=C1C;NVVOCSHPUWUZMI-UHFFFAOYSA-N;137.18;0.51;;;;;DOPC;MDCG;27;1;"MARTINI bead: SP1_SP1";;;;;;;-0.79;;-4.43;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM445102;MM445102;C#CC1=CC(=NN)CC1=C;KKMGJCXZJDCCIE-UHFFFAOYSA-N;132.17;0.82;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNd_SC5";;;;;;;1.64;;0.02;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM445103;MM445103;C=C(C#N)C=NNCCF;VMKWHVGUYDGOSA-UHFFFAOYSA-N;141.15;0.61;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_N0";;;;;;;0.34;;-1.53;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM445104;MM445104;C#CC1OC=C(C=CC)O1;KGMNAAYDIQQUFV-UHFFFAOYSA-N;136.15;1.41;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNa_SNa";;;;;;;0.87;;-2.22;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM445105;MM445105;C#CC1OCC(CC)=C1C;LRZYMNMSEMVVHC-UHFFFAOYSA-N;136.19;1.74;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC5_SNa";;;;;;;1.64;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM445106;MM445106;C#CC1=CC(=NO)CC1=C;OXNSPQWQYFEOQD-UHFFFAOYSA-N;133.15;1.34;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNda_SC5";;;;;;;1.64;;0.05;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM445107;MM445107;Cn1c(=O)c(F)c(N)n1N;WLPPSULEGAGZPQ-UHFFFAOYSA-N;146.13;-1.38;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP3_SNda";;;;;;;-1.1;;-3.97;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM445108;MM445108;C#CC1ON=C(C=CC)O1;MFNSUQRGOCIZSQ-UHFFFAOYSA-N;137.14;0.88;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNa_SNa";;;;;;;0.87;;-2.22;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM445109;MM445109;C#CC1OCC(CN)=C1C;OHMXJQHWSHVKCV-UHFFFAOYSA-N;137.18;0.29;;;;;DOPC;MDCG;27;1;"MARTINI bead: SP1_SNa";;;;;;;0.04;;-4.7;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM445110;MM445110;C#CC1=CC(=CC)NC1=N;ZYWVUNNZKUTESC-UHFFFAOYSA-N;132.17;1.03;;;;;DOPC;MDCG;27;1;"MARTINI bead: SNd_SNd";;;;;;;0.87;;-3.76;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM445111;MM445111;C#CC(C#C)C1C(C)C1C;ABEHDIKZHVZIGE-UHFFFAOYSA-N;132.21;1.77;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC5_N0";;;;;;;1.94;;0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM445112;MM445112;CC#CC1=CCC(CC)C1;IWRZGKQLLGWVAH-UHFFFAOYSA-N;134.22;2.76;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC2_SC3";;;;;;;4.53;;0.32;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM445113;MM445113;C#CC1OCC(CO)=C1C;NMBQKXDLCMAGNR-UHFFFAOYSA-N;138.17;0.33;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP1_SNa";;;;;;;0.04;;-2.54;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM445114;MM445114;C#CC1=CC(=NC)NC1=C;OQVPSTYDEIKVKP-UHFFFAOYSA-N;132.17;0.69;;;;;DOPC;MDCG;27;1;"MARTINI bead: SNd_SN0";;;;;;;1.17;;-2.3;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM445115;MM445115;C#CC(C#C)C1C(C)C1N;OUMRFMLOFHCFPA-UHFFFAOYSA-N;133.19;0.46;;;;;DOPC;MDCG;27;1;"MARTINI bead: SNd_N0";;;;;;;1.17;;-3.64;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM445116;MM445116;C#CC1OCC(OC)=C1C;NKJNIUIHVRLQCX-UHFFFAOYSA-N;138.17;0.94;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNa_SNa";;;;;;;0.87;;-2.22;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM445117;MM445117;CC#CC1=CCC(CN)C1;SZBIXELYKXLPKY-UHFFFAOYSA-N;135.21;1.3;;;;;DOPC;MDCG;27;1;"MARTINI bead: SC3_SNd";;;;;;;2.57;;-1.51;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM445118;MM445118;C#CC1=CC(=NO)NC1=C;CYUBULJLORNMMR-UHFFFAOYSA-N;134.14;0.45;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP1_SN0";;;;;;;0.34;;-1.53;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM445119;MM445119;C=C1CC2C(C)C2(O)C1C;JKWFDEJZXWAFFO-UHFFFAOYSA-N;138.21;1.58;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC3_SNda";;;;;;;2.57;;0.44;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM445120;MM445120;C#CC1CCC(C=C)=C1C;KUNAMLUJILBKJN-UHFFFAOYSA-N;132.21;2.53;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC3_SC5";;;;;;;3.34;;0.48;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM445121;MM445121;CC=COC(COC)=NN;AFNYABBOERULSD-UHFFFAOYSA-N;144.17;0.46;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_C4";;;;;;;1.09;;-0.38;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM445122;MM445122;C#CC1=CC(=NO)NC1=N;GEPRWTCJCDIMGX-UHFFFAOYSA-N;135.13;-0.09;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP1_SNd";;;;;;;0.04;;-2.63;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM445123;MM445123;C#CC(C#C)C1C(N)C1N;OQQRLTAAFGHPMG-UHFFFAOYSA-N;134.18;-0.85;;;;;DOPC;MDCG;27;1;"MARTINI bead: SP3_N0";;;;;;;-0.8;;-5.01;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM445124;MM445124;C#CC1CCC(C=O)=C1C;ODSCWQCVYWMRQK-UHFFFAOYSA-N;134.18;1.55;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNa_SC5";;;;;;;1.64;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM445125;MM445125;CC#CC1=CCC(CF)C1;AQAYUNONXYVKTL-UHFFFAOYSA-N;138.19;2.32;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC3_SC5";;;;;;;3.34;;0.48;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM445126;MM445126;C#Cc1cc(=CC)oc1=C;QQZWFIXNAKNXDT-UHFFFAOYSA-N;132.16;0.47;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC4_SN0";;;;;;;2.5;;0.44;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM445127;MM445127;C#CC(C#C)C1C(N)C1O;FSQAXOSWVZNHEX-UHFFFAOYSA-N;135.17;-0.81;;;;;DOPC;MDCG;27;1;"MARTINI bead: SP2_N0";;;;;;;0.06;;-4.11;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM445128;MM445128;C#CC1CCC(C#N)=C1C;GBDZYOYWWXDGMN-UHFFFAOYSA-N;131.18;1.87;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC5_SC5";;;;;;;2.41;;0.64;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM445129;MM445129;CC#CC1=CCC(NC)C1;VBLMOCDZLSRKDU-UHFFFAOYSA-N;135.21;1.32;;;;;DOPC;MDCG;27;1;"MARTINI bead: SNd_SC3";;;;;;;2.57;;-1.6;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM445130;MM445130;C#Cc1cc(=CF)oc1=C;MHYWVMBEZDEKOU-UHFFFAOYSA-N;136.13;0.38;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNa_SN0";;;;;;;1.17;;-1.18;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM445131;MM445131;C#CC(C#C)C1C(O)C1O;UCALYBNWTTWJQI-UHFFFAOYSA-N;136.15;-0.78;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP2_N0";;;;;;;0.06;;-2.21;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM445132;MM445132;C#CC1CCC(C=O)=C1N;RZFAWSYJHOLCJI-UHFFFAOYSA-N;135.17;0.44;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP1_SC5";;;;;;;0.81;;-0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM445133;MM445133;CC#CC1=CCC(OC)C1;KZEZOPIUYLDXIL-UHFFFAOYSA-N;136.19;1.74;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC5_SC3";;;;;;;3.34;;0.48;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM445134;MM445134;C=CC(C=O)C(C)=NOC;XRZXNJMRJKHMEE-UHFFFAOYSA-N;141.17;1.01;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_Na";;;;;;;0.87;;-2.22;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM445135;MM445135;C#CC(C#C)C1C(O)C1F;LSYXADKMAKHYSX-UHFFFAOYSA-N;138.14;0.2;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP1_N0";;;;;;;0.34;;-1.53;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM445136;MM445136;C#CC1CCC(C#N)=C1N;DKQPUCMBULRADF-UHFFFAOYSA-N;132.17;0.77;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNd_SC5";;;;;;;1.64;;0.02;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM445137;MM445137;CC#CC1=COC(CC)C1;XXCSHXZVOPCWAO-UHFFFAOYSA-N;136.19;2.09;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC5_SN0";;;;;;;1.94;;0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM445138;MM445138;C#CC1=NC(=NC)NC1=C;XICWNMFSIXANER-UHFFFAOYSA-N;133.15;0.16;;;;;DOPC;MDCG;27;1;"MARTINI bead: SP1_SN0";;;;;;;0.34;;-2.67;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM445139;MM445139;C#CC(C#C)C1C(C)N1C;LMSNMGIUDIUJPP-UHFFFAOYSA-N;133.19;0.57;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNd_N0";;;;;;;1.17;;-1.04;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM445140;MM445140;C#CC1COC(C=C)=C1C;QNHGEWVJRZNFSJ-UHFFFAOYSA-N;134.18;1.73;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC5_SN0";;;;;;;1.94;;0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM445141;MM445141;CC#CC1=COC(CN)C1;GUSBLFKUSURVBG-UHFFFAOYSA-N;137.18;0.64;;;;;DOPC;MDCG;27;1;"MARTINI bead: SN0_SP1";;;;;;;0.34;;-3.59;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM445142;MM445142;C#CC1=NC(=NO)NC1=C;ZGKOVQUNPWLECR-UHFFFAOYSA-N;135.13;-0.08;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP2_SN0";;;;;;;0.06;;-2.21;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM445143;MM445143;C#CC(C#C)N1C(C)C1C;YFNJUFXWKNOSCJ-UHFFFAOYSA-N;133.19;0.71;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP1_Nd";;;;;;;0.04;;-2.63;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM445144;MM445144;C#CC1COC(C#N)=C1C;HDRORACPKXCWLJ-UHFFFAOYSA-N;133.15;1.06;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNa_SN0";;;;;;;1.17;;-1.18;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM445145;MM445145;CC#CC1=COC(CO)C1;ZKCRCTSZLGKOON-UHFFFAOYSA-N;138.17;0.67;;;;;DOPC;MDCG;27;0;"MARTINI bead: SN0_SNda";;;;;;;1.17;;-1.13;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM445146;MM445146;CCC1=CC(C)C(CC)=C1;HAVOAFRKACUXFU-UHFFFAOYSA-N;136.24;3.31;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC3_SC2";;;;;;;4.53;;0.32;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM445147;MM445147;CC=C(CC)C1C(C)C1C;SDYBQLLLURSXGH-UHFFFAOYSA-N;138.25;3.24;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1_SC5";;;;;;;3.68;;0.46;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM445148;MM445148;C=CN(C)C(=NC)C(C)=O;CUIKIKGUXMECPW-UHFFFAOYSA-N;140.19;0.68;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nd_Na";;;;;;;0.87;;-1.88;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM445149;MM445149;CC#CC1=COC(CF)C1;GPIWRNOZGZYTAS-UHFFFAOYSA-N;140.16;1.65;;;;;DOPC;MDCG;27;0;"MARTINI bead: SN0_SNa";;;;;;;1.17;;-1.18;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM445150;MM445150;CCC1=CC(CN)=CC1C;JOSWPEYFAPBEIN-UHFFFAOYSA-N;137.23;1.86;;;;;DOPC;MDCG;27;1;"MARTINI bead: SC2_SNd";;;;;;;2.83;;-0.21;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM445151;MM445151;CC=C(CN)C1C(C)C1C;REGMCRMPILJHMV-UHFFFAOYSA-N;139.24;1.79;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_SC5";;;;;;;1.64;;-2.13;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM445152;MM445152;C#CC1NCC(C=C)=C1C;AKTLIQZZSUDXMF-UHFFFAOYSA-N;133.19;1.09;;;;;DOPC;MDCG;27;1;"MARTINI bead: SN0_SP1";;;;;;;0.34;;-3.73;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM445153;MM445153;CC#CC1=COC(OC)C1;LSRFJCUSKLRDSK-UHFFFAOYSA-N;138.17;1.29;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNa_SN0";;;;;;;1.17;;-1.18;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM445154;MM445154;CCC1=CC(CO)=CC1C;CZUAXPYWIGSQMD-UHFFFAOYSA-N;138.21;1.89;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC2_SNda";;;;;;;2.83;;0.57;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM445155;MM445155;C#CC(=CC)C(=N)NN=C;FOZBIZLLCHWGFG-UHFFFAOYSA-N;135.17;0.75;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4_P2";;;;;;;1.09;;-0.37;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM445156;MM445156;C#CC1NCC(C=O)=C1C;CGZLSNMKVIMJDQ-UHFFFAOYSA-N;135.17;0.11;;;;;DOPC;MDCG;27;1;"MARTINI bead: SP2_SP1";;;;;;;-1.06;;-5.38;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM445157;MM445157;CC#CC1=NNC(CC)C1;PYXCVDQQJGNIMD-UHFFFAOYSA-N;136.2;1.14;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNd_SN0";;;;;;;1.17;;-1.04;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM445158;MM445158;CCC1=CC(CF)=CC1C;LGSIZUREXUEDBE-UHFFFAOYSA-N;140.2;2.87;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC2_SC5";;;;;;;3.6;;0.34;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM445159;MM445159;CC=C(CC)C1C(C)C1N;CHRZHVDFEPWKAS-UHFFFAOYSA-N;139.24;1.94;;;;;DOPC;MDCG;27;1;"MARTINI bead: C1_SNd";;;;;;;2.91;;-0.39;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM445160;MM445160;C#CC1NCC(C#N)=C1N;FHGNDRRPVPUMQL-UHFFFAOYSA-N;133.15;-0.67;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP2_SP1";;;;;;;-1.06;;-3.82;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM445161;MM445161;CC#CC1=NNC(CN)C1;ZPRFTOXGKCXMRV-UHFFFAOYSA-N;137.19;-0.31;;;;;DOPC;MDCG;27;1;"MARTINI bead: SN0_SP1";;;;;;;0.34;;-3.16;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM445162;MM445162;CCC1=CC(C)C(CN)=C1;ZZKHYLLTVXENHO-UHFFFAOYSA-N;137.23;1.86;;;;;DOPC;MDCG;27;1;"MARTINI bead: SC3_SNd";;;;;;;2.57;;-0.94;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM445163;MM445163;CC=C(CO)C1C(C)C1N;KZAUORXYDRLQAO-UHFFFAOYSA-N;141.21;0.52;;;;;DOPC;MDCG;27;1;"MARTINI bead: C5_SNd";;;;;;;1.64;;-2.21;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM445164;MM445164;C#CC1OCC(C=C)=C1C;UMURRAORWZQYPH-UHFFFAOYSA-N;134.18;1.52;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC5_SNa";;;;;;;1.64;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM445165;MM445165;COCC(=NN)OC=CF;KQWYNOVJTVCVSO-UHFFFAOYSA-N;148.14;0.36;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_C5";;;;;;;0.54;;-1.09;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM445166;MM445166;CC1C=C(CN)C=C1CN;LUBHNQBIELYJDA-UHFFFAOYSA-N;138.21;0.41;;;;;DOPC;MDCG;27;1;"MARTINI bead: SNd_SNd";;;;;;;0.87;;-4.63;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM445167;MM445167;CC=C(CF)C1C(C)C1N;DUIZANNBJGHTDI-UHFFFAOYSA-N;143.21;1.5;;;;;DOPC;MDCG;27;1;"MARTINI bead: C3_SNd";;;;;;;2.57;;-1.33;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM445168;MM445168;C#CC1OCC(C#N)=C1C;HIHKLPDFPQDUEX-UHFFFAOYSA-N;133.15;0.86;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP1_SNa";;;;;;;0.04;;-2.54;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM445169;MM445169;CC#CC1=NNC(CF)C1;WUJWSOVGLVZFRJ-UHFFFAOYSA-N;140.16;0.7;;;;;DOPC;MDCG;27;0;"MARTINI bead: SN0_SNda";;;;;;;1.17;;-1.13;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM445170;MM445170;CC1C=C(CO)C=C1CN;LBOPMXQUBHWABQ-UHFFFAOYSA-N;139.2;0.44;;;;;DOPC;MDCG;27;1;"MARTINI bead: SNda_SNd";;;;;;;0.87;;-4.13;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM445171;MM445171;CC=C(CO)C1C(C)C1O;WPQIBSZCEGZRBU-UHFFFAOYSA-N;142.2;0.55;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_SNda";;;;;;;1.64;;0.05;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM445172;MM445172;C#CC1OCC(C#N)=C1N;FYFCNSABRWVHTE-UHFFFAOYSA-N;134.14;-0.25;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP2_SNa";;;;;;;-0.24;;-3.24;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM445173;MM445173;CC#CC1=NOC(CC)C1;LFRIVQZEGUUZEM-UHFFFAOYSA-N;137.18;1.56;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC5_SN0";;;;;;;1.94;;0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM445174;MM445174;CC1C=C(CF)C=C1CN;MXMWELSPKCQAPT-UHFFFAOYSA-N;141.19;1.42;;;;;DOPC;MDCG;27;1;"MARTINI bead: SC5_SNd";;;;;;;1.64;;-2.11;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM445175;MM445175;CC=C(CC)C1C(N)C1N;LOWHGMYGJANYJH-UHFFFAOYSA-N;140.23;0.63;;;;;DOPC;MDCG;27;1;"MARTINI bead: C1_SP3";;;;;;;0.94;;-1.83;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM445176;MM445176;CC#CC1=NOC(CN)C1;QWLAUPSRICVALP-UHFFFAOYSA-N;138.17;0.11;;;;;DOPC;MDCG;27;1;"MARTINI bead: SN0_SP1";;;;;;;0.34;;-3.02;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM445177;MM445177;C#CC1=C(C)C(C#C)CC1;DWYARDJMRPRJKH-UHFFFAOYSA-N;130.19;1.98;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC5_SC5";;;;;;;2.41;;0.64;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM445178;MM445178;CCC1=CC(C)C(CO)=C1;BWOXNKCHTJBFOS-UHFFFAOYSA-N;138.21;1.89;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC3_SNda";;;;;;;2.57;;0.44;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM445179;MM445179;CC=C(CN)C1C(N)C1N;PXIIRLQJWJQRHQ-UHFFFAOYSA-N;141.22;-0.82;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_SP3";;;;;;;-1.1;;-6.36;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM445180;MM445180;CC#CC(=CF)OC=NN;DTXHTMFPBPAFPY-UHFFFAOYSA-N;142.13;0.74;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_P1";;;;;;;0.81;;-0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM445181;MM445181;C#CC1=C(C)C(C#C)CO1;IBXSSAXHUUOORS-UHFFFAOYSA-N;132.16;1.17;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNa_SN0";;;;;;;1.17;;-1.18;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM445182;MM445182;CC1C=C(CN)C=C1CO;UPXMVUJUFGMSAN-UHFFFAOYSA-N;139.2;0.44;;;;;DOPC;MDCG;27;1;"MARTINI bead: SNd_SNda";;;;;;;0.87;;-4.12;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM445183;MM445183;NCC(=CF)C1C(N)C1N;RZQPEFLHCLMZQX-UHFFFAOYSA-N;145.18;-0.92;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1_SP3";;;;;;;-1.93;;-7.08;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM445184;MM445184;CC#CC1=NOC(OC)C1;PKZNLZWDQSFYCT-UHFFFAOYSA-N;139.15;0.76;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNa_SN0";;;;;;;1.17;;-1.18;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM445185;MM445185;C#CC1=C(C)C(C#C)NC1;TVVSKRSHDPJWQS-UHFFFAOYSA-N;131.18;0.54;;;;;DOPC;MDCG;27;1;"MARTINI bead: SP1_SP1";;;;;;;-0.79;;-4.73;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM445186;MM445186;CC1C=C(CO)C=C1CO;HVHZRJUOPQXXAC-UHFFFAOYSA-N;140.18;0.47;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNda_SNda";;;;;;;0.87;;-2.07;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM445187;MM445187;CC=C(CO)C1C(N)C1N;QHQDVGNBSKLSAM-UHFFFAOYSA-N;142.2;-0.79;;;;;DOPC;MDCG;27;1;"MARTINI bead: C5_SP3";;;;;;;-0.33;;-3.75;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM445188;MM445188;CC#CC1=CCC(CC)O1;YCLNXRLBMAQNND-UHFFFAOYSA-N;136.19;2.09;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC5_SC5";;;;;;;2.41;;0.64;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM445189;MM445189;C#CC1=C(C)C(C#C)OC1;VNRSYNDTRNUONF-UHFFFAOYSA-N;132.16;0.97;;;;;DOPC;MDCG;27;0;"MARTINI bead: SN0_SNa";;;;;;;1.17;;-1.18;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM445190;MM445190;CC1C=C(CF)C=C1CO;QTHOOKGYYZNQOQ-UHFFFAOYSA-N;142.17;1.45;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC5_SNda";;;;;;;1.64;;0.05;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM445191;MM445191;CC=C(CC)C1C(N)C1O;NHPRGXQHZMAFEI-UHFFFAOYSA-N;141.21;0.66;;;;;DOPC;MDCG;27;1;"MARTINI bead: C1_SP2";;;;;;;1.8;;-0.82;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM445192;MM445192;CC#CC1=CCC(CN)O1;BJQYEAKRDIGLBV-UHFFFAOYSA-N;137.18;0.64;;;;;DOPC;MDCG;27;1;"MARTINI bead: SC5_SP1";;;;;;;0.81;;-2.54;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM445193;MM445193;CC=C1CCC(CC)=C1C;OTHCSRYAACGCSM-UHFFFAOYSA-N;136.24;3.45;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC1_SC3";;;;;;;4.61;;0.31;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM445194;MM445194;CCC1=CC(N)C(CC)=C1;ARKJPDLEHWKMKT-UHFFFAOYSA-N;137.23;2;;;;;DOPC;MDCG;27;1;"MARTINI bead: SC3_SNd";;;;;;;2.57;;-0.65;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM445195;MM445195;NCC(=CF)C1C(N)C1O;LXMYIZZJLXGOLP-UHFFFAOYSA-N;146.17;-0.88;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1_SP2";;;;;;;-1.06;;-6;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM445196;MM445196;CC#CC1=CCC(CO)O1;PEVUVUJQXSBTNJ-UHFFFAOYSA-N;138.17;0.67;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC5_SNda";;;;;;;1.64;;0.05;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM445197;MM445197;CC=C1CCC(CN)=C1C;YRIXVAHCDXXNBB-UHFFFAOYSA-N;137.23;2;;;;;DOPC;MDCG;27;1;"MARTINI bead: SC3_SNd";;;;;;;2.57;;-0.95;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM445198;MM445198;CCC1=CC(CN)=CC1N;WJVZXJNVNFVRGH-UHFFFAOYSA-N;138.21;0.55;;;;;DOPC;MDCG;27;1;"MARTINI bead: SNd_SNd";;;;;;;0.87;;-4.49;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM445199;MM445199;CC=C(CO)C1C(N)C1O;NLXXERUNFTYZCB-UHFFFAOYSA-N;143.19;-0.76;;;;;DOPC;MDCG;27;1;"MARTINI bead: C5_SP2";;;;;;;0.54;;-2.7;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM445200;MM445200;CC#CC1=CCC(CF)O1;BIDSMRCFCVYIKX-UHFFFAOYSA-N;140.16;1.65;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC5_SNa";;;;;;;1.64;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM445201;MM445201;CC1=C(CN)CCC1=CF;BDXVCGUTOGHXHX-UHFFFAOYSA-N;141.19;1.91;;;;;DOPC;MDCG;27;1;"MARTINI bead: SNd_SC4";;;;;;;2.2;;-1.65;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM445202;MM445202;CCC1=CC(CO)=CC1N;RQOBWEWKDRQBTN-UHFFFAOYSA-N;139.2;0.58;;;;;DOPC;MDCG;27;1;"MARTINI bead: SNd_SNda";;;;;;;0.87;;-3.53;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM445203;MM445203;CC=C(CC)C1C(N)C1F;FSDIZGWWTUGQIO-UHFFFAOYSA-N;143.21;1.64;;;;;DOPC;MDCG;27;1;"MARTINI bead: C1_SP1";;;;;;;2.08;;0.19;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM445204;MM445204;CC#CC1=CCC(OC)O1;DQMNGELIWAZUNW-UHFFFAOYSA-N;138.17;1.29;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNa_SC5";;;;;;;1.64;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM445205;MM445205;C=CC(=NN=CNC)OC;OLKUFHRPRZXPBK-UHFFFAOYSA-N;141.17;0.38;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_N0";;;;;;;0.34;;-1.53;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM445206;MM445206;CCC1=CC(CF)=CC1N;ZFSNOFGYDUWGFP-UHFFFAOYSA-N;141.19;1.56;;;;;DOPC;MDCG;27;1;"MARTINI bead: SNd_SC5";;;;;;;1.64;;-1.81;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM445207;MM445207;CC=C(CN)C1C(N)C1F;MMUDSNOVFJZYDR-UHFFFAOYSA-N;144.19;0.19;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_SP1";;;;;;;0.04;;-4.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM445208;MM445208;CC#CC1=COC(CC)O1;RRIAVUHMJCKPFI-UHFFFAOYSA-N;138.17;1.63;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNa_SNa";;;;;;;0.87;;-2.22;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM445209;MM445209;CC=C1CCC(OC)=C1C;MXWDACQVHYNVER-UHFFFAOYSA-N;138.21;2.65;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC4_SC3";;;;;;;3.9;;0.47;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM445210;MM445210;CCC1=CC(N)C(CN)=C1;ZRXWBFZQAFBZCC-UHFFFAOYSA-N;138.21;0.55;;;;;DOPC;MDCG;27;1;"MARTINI bead: SC3_SP1";;;;;;;1.74;;-1.39;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM445211;MM445211;NCC(=CF)C1C(O)C1O;FECGGCKJKDJQGQ-UHFFFAOYSA-N;147.15;-0.85;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1_SP2";;;;;;;-1.06;;-5.38;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM445212;MM445212;CC#CC1=COC(CN)O1;OHLXULJHILKNPH-UHFFFAOYSA-N;139.15;0.18;;;;;DOPC;MDCG;27;1;"MARTINI bead: SNa_SP2";;;;;;;-0.24;;-4.53;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM445213;MM445213;C=Cc1nnn(C=O)c1N;ZOUUQLARKFMVNU-UHFFFAOYSA-N;138.13;-0.46;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP1_SP2";;;;;;;-1.06;;-3.82;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM445214;MM445214;NCC1=CC(N)C(CN)=C1;ZFYMZFFOPNCOOQ-UHFFFAOYSA-N;139.2;-0.9;;;;;DOPC;MDCG;27;1;"MARTINI bead: SNd_SP1";;;;;;;0.04;;-5.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM445215;MM445215;CCC(=NN)C1C(C)C1F;MBRPQBPORWNAPX-UHFFFAOYSA-N;144.19;1.32;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_SNa";;;;;;;1.64;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM445216;MM445216;CC#CC1=COC(CO)O1;DPBSTNDKNGDXJP-UHFFFAOYSA-N;140.14;0.22;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNa_SP1";;;;;;;0.04;;-2.54;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM445217;MM445217;CC1=C(CN)CCC1=NO;CXVPWUGNUDVLQX-UHFFFAOYSA-N;140.19;0.89;;;;;DOPC;MDCG;27;1;"MARTINI bead: SNd_SNda";;;;;;;0.87;;-4.12;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM445218;MM445218;CCC1=CC(O)C(CC)=C1;PCYQDELZDJGHNG-UHFFFAOYSA-N;138.21;2.03;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC3_SC5";;;;;;;3.34;;0.48;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM445219;MM445219;CN=C(NC)C1C(C)C1C;ODNVMFPWSSNSBD-UHFFFAOYSA-N;140.23;1.14;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_SC5";;;;;;;1.64;;-4.49;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM445220;MM445220;CC#CC1=COC(CF)O1;DBMSJJAQVOQVHL-UHFFFAOYSA-N;142.13;1.19;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNa_SNa";;;;;;;0.87;;-2.22;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM445221;MM445221;CC1=C(CO)CCC1=NO;QZPHFQVLLLFTNX-UHFFFAOYSA-N;141.17;0.92;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNda_SNda";;;;;;;0.87;;-2.07;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM445222;MM445222;CCC1=CC(OC)=CC1C;OLDKOJXEZVAMEZ-UHFFFAOYSA-N;138.21;2.5;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC2_SNa";;;;;;;2.83;;0.35;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM445223;MM445223;CN=C(NO)C1C(C)C1C;JYEMSKITVAUETR-UHFFFAOYSA-N;142.2;0.9;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nda_SC5";;;;;;;1.64;;-1.59;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM445224;MM445224;CC#CC1=NOC(CC)O1;FCMWYPAXGDKWKO-UHFFFAOYSA-N;139.15;1.11;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNa_SNa";;;;;;;0.87;;-2.22;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM445225;MM445225;CN=C1CCC(NN)=C1C;ZNOKMXHDJOPLOP-UHFFFAOYSA-N;139.2;0.59;;;;;DOPC;MDCG;27;1;"MARTINI bead: SC5_SNd";;;;;;;1.64;;-3.31;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM445226;MM445226;COC1=CC(C)C(CN)=C1;IXBBFNNZTZUDQH-UHFFFAOYSA-N;139.2;1.05;;;;;DOPC;MDCG;27;1;"MARTINI bead: SNa_SNd";;;;;;;0.87;;-4.1;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM445227;MM445227;CN=C(NO)C1C(C)C1N;CNZIZTFSQNBQDY-UHFFFAOYSA-N;143.19;-0.41;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nda_SNd";;;;;;;0.87;;-3.36;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM445228;MM445228;CC#CC1=NOC(CO)O1;BLQSSUIKDPWTGV-UHFFFAOYSA-N;141.13;-0.31;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNa_SP2";;;;;;;-0.24;;-3.24;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM445229;MM445229;CN=C1CCC(NO)=C1C;LLRYQKSXYGJWSC-UHFFFAOYSA-N;140.19;1.1;;;;;DOPC;MDCG;27;1;"MARTINI bead: SC5_SNda";;;;;;;1.64;;-2.98;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM445230;MM445230;COC1=CC(C)C(CO)=C1;YSYGDYOZUAFDCC-UHFFFAOYSA-N;140.18;1.09;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNa_SNda";;;;;;;0.87;;-1.99;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM445231;MM445231;CN=C(NC)C1C(C)C1O;LVDWMXXYKYRHTM-UHFFFAOYSA-N;142.2;-0.14;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_SNda";;;;;;;0.87;;-5.92;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM445232;MM445232;CC#CC1=CCN(CC)C1;BJZQJXVUUPZQAS-UHFFFAOYSA-N;135.21;1.27;;;;;DOPC;MDCG;27;1;"MARTINI bead: SNd_SN0";;;;;;;1.17;;-2.24;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM445233;MM445233;COC1=C(C)C(=NO)CC1;RDZISFCUROSPIU-UHFFFAOYSA-N;141.17;1.53;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC4_SNda";;;;;;;2.2;;0.49;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM445234;MM445234;CCC1=CC(OC)=CC1N;WWGUHVRSNNIGTK-UHFFFAOYSA-N;139.2;1.19;;;;;DOPC;MDCG;27;1;"MARTINI bead: SNd_SNa";;;;;;;0.87;;-3.72;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM445235;MM445235;CN=C(NO)C1C(C)C1O;GFBPEYCSZHYJSX-UHFFFAOYSA-N;144.17;-0.38;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nda_SNda";;;;;;;0.87;;-3.15;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM445236;MM445236;C=CC1CC=C(C#CC)C1;QCGYZJRXQYBJDN-UHFFFAOYSA-N;132.21;2.53;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC3_SC3";;;;;;;4.27;;0.2;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM445237;MM445237;CC1=C(CN)NCC1=NO;UEGCSVQFBXTQJF-UHFFFAOYSA-N;141.17;-0.35;;;;;DOPC;MDCG;27;1;"MARTINI bead: SP2_SP2";;;;;;;-1.34;;-5.68;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM445238;MM445238;CCC1=CC(C)C(OC)=C1;NMMUMQSVGXZWRY-UHFFFAOYSA-N;138.21;2.5;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC3_SC5";;;;;;;3.34;;0.48;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM445239;MM445239;CN=C(NC)C1C(C)C1F;BLGIBJKAPWXHIS-UHFFFAOYSA-N;144.19;0.84;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_SNa";;;;;;;0.87;;-5.77;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM445240;MM445240;CC#CC1=CCC(C=O)C1;PUCXMZMZSIZLEI-UHFFFAOYSA-N;134.18;1.55;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC3_SNa";;;;;;;2.57;;0.45;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM445241;MM445241;CN=C1NCC(NO)=C1C;YIERVHVCTBAQCH-UHFFFAOYSA-N;141.17;-0.13;;;;;DOPC;MDCG;27;1;"MARTINI bead: SNd_SP2";;;;;;;-0.24;;-5.43;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM445242;MM445242;COC1=CC(CF)=CC1C;NKVRPKBHLSUNAO-UHFFFAOYSA-N;142.17;2.06;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC5_SC5";;;;;;;2.41;;0.64;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM445243;MM445243;CN=C(NC)C1C(N)C1N;XOQRJOUXNILQEZ-UHFFFAOYSA-N;142.21;-1.48;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_SP3";;;;;;;-1.1;;-7.7;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM445244;MM445244;CC#CC1=CCC(C#N)C1;PTYYNQNNDNRWBK-UHFFFAOYSA-N;131.18;1.87;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC3_SN0";;;;;;;2.87;;0.37;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM445245;MM445245;CC=C1COC(CC)=C1C;RLGSYHIDMVIWRZ-UHFFFAOYSA-N;138.21;2.65;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC4_SC5";;;;;;;2.97;;0.45;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM445246;MM445246;C=CC1=CC(C)C(CC)=C1;LAUXTYQQEJBUGK-UHFFFAOYSA-N;134.22;3.08;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC2_SC4";;;;;;;4.16;;0.44;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM445247;MM445247;CN=C(NO)C1C(N)C1N;WMDCEOIHUUQDOE-UHFFFAOYSA-N;144.18;-1.72;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nda_SP3";;;;;;;-1.1;;-5.05;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM445248;MM445248;C=CC1CC(C#CC)=CO1;UQFPXNXVPWLAGZ-UHFFFAOYSA-N;134.18;1.87;;;;;DOPC;MDCG;27;0;"MARTINI bead: SN0_SC5";;;;;;;1.94;;0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM445249;MM445249;CC=C1COC(CN)=C1C;KXAPMRPKWVQNHN-UHFFFAOYSA-N;139.2;1.2;;;;;DOPC;MDCG;27;1;"MARTINI bead: SC5_SP1";;;;;;;0.81;;-1.92;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM445250;MM445250;CCC1=CC(C=O)=CC1C;SZBDPJLJVOHQHP-UHFFFAOYSA-N;136.19;2.1;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC2_SNa";;;;;;;2.83;;0.35;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM445251;MM445251;CN=C(NC)C1C(N)C1F;GHIKKVDXTFDXJF-UHFFFAOYSA-N;145.18;-0.47;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_SP1";;;;;;;0.04;;-6.18;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM445252;MM445252;CC#CC1=COC(C=O)C1;PGIXQWNAFJRQKU-UHFFFAOYSA-N;136.15;0.88;;;;;DOPC;MDCG;27;0;"MARTINI bead: SN0_SNa";;;;;;;1.17;;-1.18;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM445253;MM445253;CC=C1COC(CF)=C1C;FLKLTFZPAFJHQL-UHFFFAOYSA-N;142.17;2.21;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC5_SNa";;;;;;;1.64;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM445254;MM445254;CCC1=CC(C#N)=CC1C;AMONBHATIXVAMJ-UHFFFAOYSA-N;133.19;2.42;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC2_SN0";;;;;;;3.13;;0.3;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM445255;MM445255;CN=C(NC)C1C(O)C1O;RTUREHLFOFVFSN-UHFFFAOYSA-N;144.17;-1.41;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_SP2";;;;;;;-0.24;;-6.53;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM445256;MM445256;CC#CC1=COC(C#N)C1;XJUWILSGEOWFOZ-UHFFFAOYSA-N;133.15;1.21;;;;;DOPC;MDCG;27;0;"MARTINI bead: SN0_SNa";;;;;;;1.17;;-1.18;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM445257;MM445257;CC1=C(CN)OCC1=CF;CEYUZFYLHBUKLK-UHFFFAOYSA-N;143.16;1.1;;;;;DOPC;MDCG;27;1;"MARTINI bead: SP1_SNa";;;;;;;0.04;;-3.96;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM445258;MM445258;C=CC1=CC(C)C(CN)=C1;GZAJNNZVWPBKAG-UHFFFAOYSA-N;135.21;1.63;;;;;DOPC;MDCG;27;1;"MARTINI bead: SC4_SNd";;;;;;;2.2;;-1.64;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM445259;MM445259;ON=C(NO)C1C(O)C1O;QWYZXLPUXFLYNQ-UHFFFAOYSA-N;148.12;-1.9;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_SP2";;;;;;;-1.34;;-4.31;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM445260;MM445260;C=CC1CC(C#CC)=NN1;RGAJKXDETBVZQK-UHFFFAOYSA-N;134.18;0.91;;;;;DOPC;MDCG;27;0;"MARTINI bead: SN0_SNd";;;;;;;1.17;;-1.04;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM445261;MM445261;CC1=C(CO)OCC1=CF;OQGDTOODDXIDHY-UHFFFAOYSA-N;144.15;1.14;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNda_SNa";;;;;;;0.87;;-1.99;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM445262;MM445262;C=CC1=CC(C)C(CO)=C1;SMOPHLUGIKDBDK-UHFFFAOYSA-N;136.19;1.67;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC4_SNda";;;;;;;2.2;;0.49;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM445263;MM445263;CC=C(OC)C1C(C)C1C;OAPVQMOQTKNVOS-UHFFFAOYSA-N;140.23;2.44;;;;;DOPC;MDCG;27;0;"MARTINI bead: C3_SC5";;;;;;;3.34;;0.48;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM445264;MM445264;CCOC(C=NOC)=NN;BSYJUMCGNYHYLV-UHFFFAOYSA-N;145.16;-0.07;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_P2";;;;;;;0.54;;-1.09;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM445265;MM445265;C=CCC(O)C1C(C)C1C;AUJAHQLCUZZOQQ-UHFFFAOYSA-N;140.23;1.83;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC5_Nda";;;;;;;1.64;;0.05;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM445266;MM445266;CC1C=C(C=O)C=C1CO;HNZSAWYMEDEHQP-UHFFFAOYSA-N;138.17;0.68;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNa_SNda";;;;;;;0.87;;-1.99;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM445267;MM445267;CC=C(OC)C1C(C)C1N;VCHSCCPIWDIPMJ-UHFFFAOYSA-N;141.21;1.13;;;;;DOPC;MDCG;27;1;"MARTINI bead: C3_SNd";;;;;;;2.57;;-1.26;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM445268;MM445268;C=COC(C=NN=C)=NN;NGTJMMOBIXYZJL-UHFFFAOYSA-N;140.15;0.11;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda_N0";;;;;;;1.17;;-1.13;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM445269;MM445269;CCC1=C(C)C(=NO)CO1;HFQDVOLINUMKQI-UHFFFAOYSA-N;141.17;1.53;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC4_SNda";;;;;;;2.2;;0.49;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM445270;MM445270;CC1C=C(C#N)C=C1CO;KLARPKHSQJDNSA-UHFFFAOYSA-N;135.17;1;;;;;DOPC;MDCG;27;0;"MARTINI bead: SN0_SNda";;;;;;;1.17;;-1.13;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM445271;MM445271;COC(=CF)C1C(C)C1N;KNVRVGRLJYBGRU-UHFFFAOYSA-N;145.18;1.04;;;;;DOPC;MDCG;27;1;"MARTINI bead: C5_SNd";;;;;;;1.64;;-2.44;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM445272;MM445272;C=CC1CC(C#CC)=NO1;BCVOKQZWYPRLIB-UHFFFAOYSA-N;135.17;1.34;;;;;DOPC;MDCG;27;0;"MARTINI bead: SN0_SNa";;;;;;;1.17;;-1.18;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM445273;MM445273;CC1=C(CN)OCC1=NO;QHNPCIGZZRWXFT-UHFFFAOYSA-N;142.16;0.08;;;;;DOPC;MDCG;27;1;"MARTINI bead: SP1_SNda";;;;;;;0.04;;-4.12;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM445274;MM445274;C=CC1=CC(N)C(CC)=C1;YJLHTRNVKGPDSB-UHFFFAOYSA-N;135.21;1.78;;;;;DOPC;MDCG;27;1;"MARTINI bead: SNd_SC4";;;;;;;2.2;;-1.33;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM445275;MM445275;CC=C(OC)C1C(C)C1O;HWLDMAVRPNPLEX-UHFFFAOYSA-N;142.2;1.16;;;;;DOPC;MDCG;27;0;"MARTINI bead: C3_SNda";;;;;;;2.57;;0.44;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM445276;MM445276;C=NN=C(CF)OC=NN;YZSJXUYCGVDKDM-UHFFFAOYSA-N;146.13;-0.11;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_Nda";;;;;;;0.87;;-1.99;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM445277;MM445277;CC1=C(CF)OCC1=NO;OHGWIUSBGMSJKW-UHFFFAOYSA-N;145.13;1.09;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNa_SNda";;;;;;;0.87;;-1.99;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM445278;MM445278;C=CC1=CC(N)C(CN)=C1;GONHNYJIWUYEBF-UHFFFAOYSA-N;136.2;0.32;;;;;DOPC;MDCG;27;1;"MARTINI bead: SP1_SC4";;;;;;;1.37;;-1.99;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM445279;MM445279;CC=C(OC)C1C(N)C1N;VVUUWXYXALPWFS-UHFFFAOYSA-N;142.2;-0.18;;;;;DOPC;MDCG;27;1;"MARTINI bead: C3_SP3";;;;;;;0.6;;-2.73;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM445280;MM445280;CC#CC1=NOC(C#N)C1;GOGFVSMBERGNFB-UHFFFAOYSA-N;134.14;0.68;;;;;DOPC;MDCG;27;0;"MARTINI bead: SN0_SP1";;;;;;;0.34;;-1.53;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM445281;MM445281;CCC1=C(C)C(NC)=NC1;KFVHBDRAHXAKFJ-UHFFFAOYSA-N;138.21;1.34;;;;;DOPC;MDCG;27;1;"MARTINI bead: SC4_SNd";;;;;;;2.2;;-2.6;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM445282;MM445282;CCC1=CC(C#N)=CC1O;STTGEIJGWGFSIS-UHFFFAOYSA-N;135.17;1.15;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC5_SN0";;;;;;;1.94;;0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM445283;MM445283;COC(=CF)C1C(N)C1N;HGTSDIUKMNDIFO-UHFFFAOYSA-N;146.17;-0.27;;;;;DOPC;MDCG;27;1;"MARTINI bead: C5_SP3";;;;;;;-0.33;;-3.97;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM445284;MM445284;C=CC(=NOC)OC=NN;XVASJMHFFDYXJN-UHFFFAOYSA-N;143.15;0.05;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_N0";;;;;;;0.34;;-1.53;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM445285;MM445285;CN=C1NCC(CO)=C1C;QYGBVTKCHPIFAK-UHFFFAOYSA-N;140.19;-0.07;;;;;DOPC;MDCG;27;1;"MARTINI bead: SNd_SP2";;;;;;;-0.24;;-6.1;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM445286;MM445286;C=CC1=CC(C)C(OC)=C1;BQIVHSHQDPEPIN-UHFFFAOYSA-N;136.19;2.28;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC5_SC4";;;;;;;2.97;;0.45;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM445287;MM445287;C=CC1CC=C(C#CC)O1;CJWBBJVLHOHEHN-UHFFFAOYSA-N;134.18;1.87;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC5_SC5";;;;;;;2.41;;0.64;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM445288;MM445288;CC=C(OC)C1C(O)C1O;ZHWKSGCMIMXWRQ-UHFFFAOYSA-N;144.17;-0.11;;;;;DOPC;MDCG;27;0;"MARTINI bead: C3_SP2";;;;;;;1.46;;-0.15;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM445289;MM445289;CN=C1NCC(CF)=C1C;ATSCVTPZSHBZQW-UHFFFAOYSA-N;142.18;0.9;;;;;DOPC;MDCG;27;1;"MARTINI bead: SNd_SP1";;;;;;;0.04;;-5.51;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM445290;MM445290;COC1=CC(C#N)=CC1C;VIPDUYMKNLOMRY-UHFFFAOYSA-N;135.17;1.62;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC5_SN0";;;;;;;1.94;;0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM445291;MM445291;CC#CC1=CCC(C=O)O1;SOGOEULAULNWGK-UHFFFAOYSA-N;136.15;0.88;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC5_SNa";;;;;;;1.64;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM445292;MM445292;CC=C(CC)C1C(C)N1C;IDPGAHHNIWZJCN-UHFFFAOYSA-N;139.24;2.05;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1_SNd";;;;;;;2.91;;0.67;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM445293;MM445293;CC1=C(CO)CN=C1NN;RXHBQPSBAJFELT-UHFFFAOYSA-N;141.17;-0.83;;;;;DOPC;MDCG;27;1;"MARTINI bead: SNda_SP1";;;;;;;0.04;;-3.94;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM445294;MM445294;C#CC1=CC(C)C(CC)=C1;VTIFKVRDLJESNH-UHFFFAOYSA-N;132.21;2.53;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC2_SC5";;;;;;;3.6;;0.34;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM445295;MM445295;CC#CC1=CCC(C#N)O1;FUTGKGQZTMPXTI-UHFFFAOYSA-N;133.15;1.21;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC5_SN0";;;;;;;1.94;;0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM445296;MM445296;CC=C(CN)C1C(C)N1C;CLDLJQZRWLAWJZ-UHFFFAOYSA-N;140.23;0.59;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_SNd";;;;;;;0.87;;-4.01;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM445297;MM445297;CC1=C(CF)CN=C1NN;UEXZOVOUQBKSQA-UHFFFAOYSA-N;143.17;0.15;;;;;DOPC;MDCG;27;1;"MARTINI bead: SNa_SP1";;;;;;;0.04;;-3.7;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM445298;MM445298;C#CC1=CC(C)C(CN)=C1;AYEUIKPAAFHMSV-UHFFFAOYSA-N;133.19;1.08;;;;;DOPC;MDCG;27;1;"MARTINI bead: SC5_SNd";;;;;;;1.64;;-2.11;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM445299;MM445299;C=CC1OC=C(C#CC)O1;GYPAEDMJPOMVKE-UHFFFAOYSA-N;136.15;1.41;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNa_SNa";;;;;;;0.87;;-2.22;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM445300;MM445300;CCC(=NN)C1C(C)N1C;NQVNTAILLTZPGV-UHFFFAOYSA-N;141.22;0.41;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nd_SNd";;;;;;;0.87;;-2.11;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM445301;MM445301;CCCC1NC1C=O;AECSDDBRDBGEJJ-UHFFFAOYSA-N;113.16;0.33;;;;;DOPC;MDCG;27;0;"MARTINI bead: C3_SP2";;;;;;;1.46;;-0.15;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM445302;MM445302;C#CC1=CC(C)C(CO)=C1;CSPHONRGBVAVII-UHFFFAOYSA-N;134.18;1.11;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC5_SNda";;;;;;;1.64;;0.05;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM445303;MM445303;CC#CC1=COC(C=O)O1;WYRWFMBFRSYPPZ-UHFFFAOYSA-N;138.12;0.42;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNa_SP1";;;;;;;0.04;;-2.54;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM445304;MM445304;CN=C(NC)C1C(C)N1C;NMYLDPFIBHGIFS-UHFFFAOYSA-N;141.22;-0.06;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1_SNd";;;;;;;0.04;;-5.57;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM445305;MM445305;CNC1=NCC(NC)=C1C;HIARIGYZFGZSMG-UHFFFAOYSA-N;139.2;0.11;;;;;DOPC;MDCG;27;1;"MARTINI bead: SNd_SNd";;;;;;;0.87;;-4.72;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM445306;MM445306;C#CC1=CC(O)C(CC)=C1;HOCKWUCRVUUIGM-UHFFFAOYSA-N;134.18;1.26;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC5_SC5";;;;;;;2.41;;0.64;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM445307;MM445307;CC#CC1=COC(C#N)O1;INPCEOKATXUSTD-UHFFFAOYSA-N;135.12;0.75;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNa_SNa";;;;;;;0.87;;-2.22;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM445308;MM445308;CN=C(NN)C1C(C)N1C;QMBVFTSEMBGANO-UHFFFAOYSA-N;142.21;-0.82;;;;;DOPC;MDCG;27;1;"MARTINI bead: P3_SNd";;;;;;;-1.1;;-5.15;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM445309;MM445309;C#CCC(C)(O)C(C)C;RPHSEWGLCGRKKN-UHFFFAOYSA-N;126.2;1.42;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda_N0";;;;;;;1.17;;-1.13;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM445310;MM445310;C#CC1=CC(C)C(OC)=C1;XPDNLPJHNKQRMS-UHFFFAOYSA-N;134.18;1.73;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC5_SC5";;;;;;;2.41;;0.64;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM445311;MM445311;C=CC1ON=C(C#CC)O1;LWJKAPVANQSUON-UHFFFAOYSA-N;137.14;0.88;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNa_SNa";;;;;;;0.87;;-2.22;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM445312;MM445312;CC=C(OC)C1C(C)N1C;AOQXDTRNGQSVMJ-UHFFFAOYSA-N;141.21;1.24;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_SNd";;;;;;;1.64;;0.02;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM445313;MM445313;CNc1n[nH]c(CN)c1C;RBGAECNLILHGAR-UHFFFAOYSA-N;140.19;0.22;;;;;DOPC;MDCG;27;1;"MARTINI bead: SNda_SP1";;;;;;;0.04;;-3.88;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM445314;MM445314;C=CC1=CC(CC)=CC1C;QVEGPBWQCCSPRE-UHFFFAOYSA-N;134.22;3.08;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC3_SC3";;;;;;;4.27;;0.2;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM445315;MM445315;CC#CC1=NOC(C=O)O1;XDTLPEGKYPVLMI-UHFFFAOYSA-N;139.11;-0.11;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNa_SP1";;;;;;;0.04;;-2.54;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM445316;MM445316;CCC(=NC)N1C(C)C1C;HMHBISWSLQQCQW-UHFFFAOYSA-N;140.23;1.52;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_SP1";;;;;;;0.04;;-5.68;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM445317;MM445317;CCC1C(C)(C)C1(C)O;JXDVRCDYVDPMSB-UHFFFAOYSA-N;128.22;1.8;;;;;DOPC;MDCG;27;0;"MARTINI bead: C3_SNda";;;;;;;2.57;;0.44;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM445318;MM445318;C=CC1=CC(CN)=CC1C;MHNLSKJGVWKETB-UHFFFAOYSA-N;135.21;1.63;;;;;DOPC;MDCG;27;1;"MARTINI bead: SNd_SC3";;;;;;;2.57;;-0.93;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM445319;MM445319;CC#CC1=CCN(C=N)C1;UILDSGSHDCGVLB-UHFFFAOYSA-N;134.18;0.86;;;;;DOPC;MDCG;27;1;"MARTINI bead: SN0_SP1";;;;;;;0.34;;-4.49;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM445320;MM445320;C=CC(=CC)C1C(C)C1C;GHOXNDPRCNOKML-UHFFFAOYSA-N;136.24;3.02;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1_SC5";;;;;;;3.68;;0.46;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM445321;MM445321;C=C1CC(C)(O)CC1C;JSPZSJOVHPRZJK-UHFFFAOYSA-N;126.2;1.72;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNda_SC3";;;;;;;2.57;;0.44;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM445322;MM445322;C=CC1=CC(CO)=CC1C;PFQZHRNYIOYRFN-UHFFFAOYSA-N;136.19;1.67;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNda_SC3";;;;;;;2.57;;0.44;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM445323;MM445323;CC#CC1=CCN(C=O)C1;OSQAOQUHBLRZBS-UHFFFAOYSA-N;135.17;0.41;;;;;DOPC;MDCG;27;0;"MARTINI bead: SN0_SP1";;;;;;;0.34;;-1.53;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM445324;MM445324;CC=C(C=O)C1C(C)C1C;QBYXMOMCIXWCTM-UHFFFAOYSA-N;138.21;2.03;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_SC5";;;;;;;1.64;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM445325;MM445325;C#CCC(O)(CC)CC;QDASCWVJDDKPPB-UHFFFAOYSA-N;126.2;1.56;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_N0";;;;;;;1.94;;0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM445326;MM445326;C=CC1=CC(CF)=CC1C;KHUMWJDSYJAKRM-UHFFFAOYSA-N;138.19;2.64;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC5_SC3";;;;;;;3.34;;0.48;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM445327;MM445327;C=NN1CC=C(C#CC)C1;SCRPPCXMQVGOKM-UHFFFAOYSA-N;134.18;0.87;;;;;DOPC;MDCG;27;0;"MARTINI bead: SN0_SP1";;;;;;;0.34;;-1.53;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM445328;MM445328;CCC1(C)C(C)C1(C)O;UWJJIWLICQRCJM-UHFFFAOYSA-N;128.22;1.8;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_SNda";;;;;;;1.64;;0.05;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM445329;MM445329;CC=C(C#N)C1C(C)C1C;QYQULCAJGVLAIR-UHFFFAOYSA-N;135.21;2.36;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_SC5";;;;;;;2.41;;0.64;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM445330;MM445330;CCC1=CC(C)C(C=O)=C1;UPMGHJAVYHQNNE-UHFFFAOYSA-N;136.19;2.1;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC3_SNa";;;;;;;2.57;;0.45;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM445331;MM445331;C#CC1CC=C(C#CC)C1;PFFQMCNCQQJLPU-UHFFFAOYSA-N;130.19;1.98;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC3_SC5";;;;;;;3.34;;0.48;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM445332;MM445332;Cc1c(NO)n[nH]c1CN;HVPWCXJBQXOQPH-UHFFFAOYSA-N;142.16;-0.02;;;;;DOPC;MDCG;27;1;"MARTINI bead: SP2_SP1";;;;;;;-1.06;;-4.95;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM445333;MM445333;CC1C(C)C1C(C#N)=CN;UBLZKQGAOOKJFV-UHFFFAOYSA-N;136.2;1.25;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC5_P1";;;;;;;0.81;;-0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM445334;MM445334;CCC1=CC(C)C(C#N)=C1;MIIDRGCJTKKRFS-UHFFFAOYSA-N;133.19;2.42;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC3_SN0";;;;;;;2.87;;0.37;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM445335;MM445335;C#CC1CC(C#CC)=CO1;ZFJRWFUGLKKYHJ-UHFFFAOYSA-N;132.16;1.32;;;;;DOPC;MDCG;27;0;"MARTINI bead: SN0_SNa";;;;;;;1.17;;-1.18;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM445336;MM445336;C#CCC(F)C(C)=NN;PYZMJSWMISILFK-UHFFFAOYSA-N;128.15;0.68;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nd_Na";;;;;;;0.87;;-1.88;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM445337;MM445337;CC1C(C)C1C(C#N)=CF;UQOXRQYEBLYPBM-UHFFFAOYSA-N;139.17;2.27;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC5_Na";;;;;;;1.64;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM445338;MM445338;CC1C=C(CO)C=C1C=O;WOONXMXVOOCOPV-UHFFFAOYSA-N;138.17;0.68;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNda_SNa";;;;;;;0.87;;-1.99;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM445339;MM445339;C=CC(=NN=C)OC=NN;RWNQZJLECRMOGI-UHFFFAOYSA-N;140.15;0.11;;;;;DOPC;MDCG;27;0;"MARTINI bead: N0_Nda";;;;;;;1.17;;-1.13;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM445340;MM445340;C=NNC(=N)C1(C)CO1;BWKAINISGHKMRD-UHFFFAOYSA-N;127.15;-0.04;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNa_P2";;;;;;;-0.24;;-3.24;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM445341;MM445341;C=CC(=CC)C1C(C)C1N;JNXFXNGGXAYQRT-UHFFFAOYSA-N;137.23;1.71;;;;;DOPC;MDCG;27;1;"MARTINI bead: C1_SNd";;;;;;;2.91;;-0.38;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM445342;MM445342;CC1C=C(CO)C=C1C#N;JBAVRHHPEOTPSQ-UHFFFAOYSA-N;135.17;1;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNda_SN0";;;;;;;1.17;;-1.13;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM445343;MM445343;C#CC1CC(C#CC)=NO1;WICKUAIYIMZBSD-UHFFFAOYSA-N;133.15;0.79;;;;;DOPC;MDCG;27;0;"MARTINI bead: SN0_SNa";;;;;;;1.17;;-1.18;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM445344;MM445344;C=C1C(=O)N(C)N=C1N;LGZHBWJIQCISKY-UHFFFAOYSA-N;125.13;-0.71;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP2_SP2";;;;;;;-1.34;;-4.31;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM445345;MM445345;CC#CC1=NNC(C#N)C1;LOJCKGOIMWHRDW-UHFFFAOYSA-N;133.15;0.25;;;;;DOPC;MDCG;27;0;"MARTINI bead: SN0_SP1";;;;;;;0.34;;-1.53;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM445346;MM445346;CC1C=C(CF)C=C1C=O;PDWOMLUHMVWOTQ-UHFFFAOYSA-N;140.16;1.66;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC5_SNa";;;;;;;1.64;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM445347;MM445347;C#CC1CNC(C#CC)=N1;ZHYITDPGCBGPNL-UHFFFAOYSA-N;132.17;0.01;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNd_SP1";;;;;;;0.04;;-2.63;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM445348;MM445348;C=NNC1CC1C(C)=O;PYGPLSKUDWRMJT-UHFFFAOYSA-N;126.16;0.17;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_SNd";;;;;;;0.04;;-2.63;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM445349;MM445349;CC=C(C=O)C1C(C)C1O;CWZPCPAJUZPPEC-UHFFFAOYSA-N;140.18;0.76;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_SNda";;;;;;;0.87;;-1.99;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM445350;MM445350;CC1C=C(CF)C=C1C#N;YXHONZMTGXLUNV-UHFFFAOYSA-N;137.16;1.98;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC5_SN0";;;;;;;1.94;;0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM445351;MM445351;C#CC1CC=C(C#CC)O1;WSKRLXQGYJKDNZ-UHFFFAOYSA-N;132.16;1.32;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC5_SN0";;;;;;;1.94;;0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM445352;MM445352;O=CC1(C=O)CC=NN1;HXIUFGACYDFJCT-UHFFFAOYSA-N;126.12;-0.9;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNda_SP1";;;;;;;0.04;;-2.73;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM445353;MM445353;C=CC1=CC(CC)=CC1N;VGNIZOJVABGMOA-UHFFFAOYSA-N;135.21;1.78;;;;;DOPC;MDCG;27;1;"MARTINI bead: SC3_SNd";;;;;;;2.57;;-0.61;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM445354;MM445354;CC=C(C#N)C1C(C)C1O;WOQHXZWZPHCKAO-UHFFFAOYSA-N;137.18;1.08;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_SNda";;;;;;;1.64;;0.05;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM445355;MM445355;C#CC1OC=C(C#CC)O1;DCOGOGXBUKWMQR-UHFFFAOYSA-N;134.13;0.86;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNa_SNa";;;;;;;0.87;;-2.22;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM445356;MM445356;O=CC(CF)=NN1CC1;XZJNHFHDVAMXTE-UHFFFAOYSA-N;130.12;-0.17;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_SP2";;;;;;;-1.06;;-3.82;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM445357;MM445357;C=CC1=CC(CN)=CC1N;RBYMECPAFFUDCI-UHFFFAOYSA-N;136.2;0.32;;;;;DOPC;MDCG;27;1;"MARTINI bead: SNd_SNd";;;;;;;0.87;;-4.48;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM445358;MM445358;CC1C(O)C1C(C=O)=CN;URVALSBIKYLHPA-UHFFFAOYSA-N;141.17;-0.35;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNda_P1";;;;;;;0.04;;-2.73;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM445359;MM445359;C#CC1ON=C(C#CC)O1;BNAWAHIJBLTKAO-UHFFFAOYSA-N;135.12;0.33;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNa_SNa";;;;;;;0.87;;-2.22;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM445360;MM445360;CCCCC1NC1C=O;NDDZRSLOIMOOFX-UHFFFAOYSA-N;127.19;0.72;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1_SP2";;;;;;;1.8;;0.41;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM445361;MM445361;C=CC1=CC(CO)=CC1N;HPFALSLUCGBOHL-UHFFFAOYSA-N;137.18;0.36;;;;;DOPC;MDCG;27;1;"MARTINI bead: SNda_SNd";;;;;;;0.87;;-3.49;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM445362;MM445362;CC=NN1CC1C#CC#N;MAIFCZMSMWZEQX-UHFFFAOYSA-N;133.15;0.2;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP1_N0";;;;;;;0.34;;-1.53;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM445363;MM445363;CC=C1CC=C(CCC)C1;IXYQWQBXZYKMQF-UHFFFAOYSA-N;136.24;3.45;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC1_SC3";;;;;;;4.61;;0.31;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM445364;MM445364;C#CCCC(C)C(C)(C)O;QTBVKOVBSGWALC-UHFFFAOYSA-N;140.23;1.81;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1_Nda";;;;;;;2.91;;0.57;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM445365;MM445365;C=CC1=CC(CN)=CC1O;ZYJZNOAPGRYLFK-UHFFFAOYSA-N;137.18;0.36;;;;;DOPC;MDCG;27;1;"MARTINI bead: SNd_SNda";;;;;;;0.87;;-3.81;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM445366;MM445366;CC1C(O)C1C(C#N)=CF;UKGBDVXMYNRSKJ-UHFFFAOYSA-N;141.15;0.99;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNda_Na";;;;;;;0.87;;-1.99;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM445367;MM445367;CC=C1CC=C(CCN)C1;KWEMZKTWTYZPOJ-UHFFFAOYSA-N;137.23;2;;;;;DOPC;MDCG;27;1;"MARTINI bead: SC3_SNd";;;;;;;2.57;;-1.48;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM445368;MM445368;CC(C=CC=O)C(C)(C)O;OPPOELKGFPOZER-UHFFFAOYSA-N;142.2;1.15;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_Nda";;;;;;;1.64;;0.05;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM445369;MM445369;C=CC1=CC(CO)=CC1O;ISBFQKAVMZKGJL-UHFFFAOYSA-N;138.17;0.39;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNda_SNda";;;;;;;0.87;;-2.07;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM445370;MM445370;CC=C(C=O)C1C(C)C1F;BFADUPYNIMITRH-UHFFFAOYSA-N;142.17;1.74;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_SNa";;;;;;;0.87;;-2.22;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM445371;MM445371;CCCC1=CCC(=CF)C1;NPYBBNXKCOJWON-UHFFFAOYSA-N;140.2;3.36;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC1_SC5";;;;;;;3.68;;0.46;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM445372;MM445372;CCc1onc(NO)c1C;MXEMHVRZJVUEEL-UHFFFAOYSA-N;142.16;1.35;;;;;DOPC;MDCG;27;0;"MARTINI bead: SN0_SNda";;;;;;;1.17;;-1.13;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM445373;MM445373;C=CC1=CC(OC)=CC1C;IKQXIPAKFDQICY-UHFFFAOYSA-N;136.19;2.28;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNa_SC3";;;;;;;2.57;;0.45;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM445374;MM445374;CC1C(F)C1C(C#N)=CN;KMIOCTQBOFZIIP-UHFFFAOYSA-N;140.16;0.96;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNa_P1";;;;;;;0.04;;-2.54;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM445375;MM445375;NCCC1=CCC(=CF)C1;GFYWYNXDQLGOAC-UHFFFAOYSA-N;141.19;1.91;;;;;DOPC;MDCG;27;1;"MARTINI bead: SNd_SC5";;;;;;;1.64;;-2.65;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM445376;MM445376;Cc1c(NO)noc1CO;HUGXTAIECFNESA-UHFFFAOYSA-N;144.13;0.28;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP1_SNda";;;;;;;0.04;;-2.73;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM445377;MM445377;COC1=CC(C)C(C=O)=C1;DLXKRFRMXKMQSE-UHFFFAOYSA-N;138.17;1.29;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNa_SNa";;;;;;;0.87;;-2.22;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM445378;MM445378;CC1C(F)C1C(C#N)=CF;QJYYRBHUWGJYRI-UHFFFAOYSA-N;143.14;1.97;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNa_Na";;;;;;;0.87;;-2.22;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM445379;MM445379;CC=C1CC=C(CNC)C1;COJWXNACMNMQJW-UHFFFAOYSA-N;137.23;1.87;;;;;DOPC;MDCG;27;1;"MARTINI bead: SNd_SC3";;;;;;;2.57;;-1.19;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM445380;MM445380;C#CCCCC(C)(O)CC;YSHIEFXYLONHIP-UHFFFAOYSA-N;140.23;1.95;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda_C3";;;;;;;2.57;;0.44;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM445381;MM445381;COC1=CC(C)C(C#N)=C1;QOEJODYHVBDQJX-UHFFFAOYSA-N;135.17;1.62;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNa_SN0";;;;;;;1.17;;-1.18;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM445382;MM445382;C=CC(=CC)C1C(N)C1N;VMTAEWWIOZCPRG-UHFFFAOYSA-N;138.21;0.4;;;;;DOPC;MDCG;27;1;"MARTINI bead: C1_SP3";;;;;;;0.94;;-1.82;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM445383;MM445383;CCCC1=CCC(=NN)C1;AOIUHVHWILFMKT-UHFFFAOYSA-N;138.21;1.82;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC1_SNd";;;;;;;2.91;;0.63;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM445384;MM445384;C=CC=CCC(C)(O)CC;MBNASMKQOFOHGK-UHFFFAOYSA-N;140.23;2.28;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda_C1";;;;;;;2.91;;0.57;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM445385;MM445385;C=CC1=CC(OC)=CC1N;OHLSDVGUYIDGEM-UHFFFAOYSA-N;137.18;0.97;;;;;DOPC;MDCG;27;1;"MARTINI bead: SNa_SNd";;;;;;;0.87;;-3.68;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM445386;MM445386;C=CC(=CF)C1C(N)C1O;BXSJVJYSKNMUGZ-UHFFFAOYSA-N;143.16;0.34;;;;;DOPC;MDCG;27;1;"MARTINI bead: SP2_C2";;;;;;;1.72;;-1.21;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM445387;MM445387;CCCC1=CCC(=NO)C1;RDBCIAFRLTUFJT-UHFFFAOYSA-N;139.2;2.34;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC1_SNda";;;;;;;2.91;;0.57;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM445388;MM445388;CCC(C)(O)CC=CC=O;CRNPBWKLZVUZGY-UHFFFAOYSA-N;142.2;1.29;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda_Na";;;;;;;0.87;;-1.99;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM445389;MM445389;C=CC1=CC(OC)=CC1O;HWWWKKXCZLKVQL-UHFFFAOYSA-N;138.17;1;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNa_SNda";;;;;;;0.87;;-1.99;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM445390;MM445390;C=CC(=CC)C1C(N)C1F;FJTUPVRFJQHUJY-UHFFFAOYSA-N;141.19;1.41;;;;;DOPC;MDCG;27;1;"MARTINI bead: C1_SP1";;;;;;;2.08;;0.2;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM445391;MM445391;CC=C1CC=C(OCC)C1;CHEKAAIRUDYCEK-UHFFFAOYSA-N;138.21;2.65;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC4_SC3";;;;;;;3.9;;0.47;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM445392;MM445392;CC=C1OCC(CF)=C1C;SEFLVPYLPKHZMY-UHFFFAOYSA-N;142.17;2.21;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC5_SNa";;;;;;;1.64;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM445393;MM445393;C=CC1=CC(C)C(C=C)=C1;MICNPRGXVGEJAG-UHFFFAOYSA-N;132.21;2.86;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC4_SC3";;;;;;;3.9;;0.47;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM445394;MM445394;C=CC(=CC)C1C(O)C1O;DRFFBIGTDRKZBE-UHFFFAOYSA-N;140.18;0.47;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1_SP2";;;;;;;1.8;;0.4;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM445395;MM445395;CCOC1=CCC(=CF)C1;IQHFARRKXQNQPS-UHFFFAOYSA-N;142.17;2.55;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC4_SC5";;;;;;;2.97;;0.45;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM445396;MM445396;CC1=C(CO)COC1=CF;FMOQMWZXEHGWMR-UHFFFAOYSA-N;144.15;1.14;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP1_SNa";;;;;;;0.04;;-2.54;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM445397;MM445397;C=CC1=CC(C=O)=CC1C;AVNWVVAQKVYKOM-UHFFFAOYSA-N;134.18;1.87;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNa_SC3";;;;;;;2.57;;0.45;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM445398;MM445398;C=CC(=NN)C1C(C)C1C;AUCRRSXPWJXXGV-UHFFFAOYSA-N;138.21;1.39;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC5_C5";;;;;;;2.41;;0.64;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM445399;MM445399;CCOC1=CCC(=NN)C1;KFUIAXXJIFBSDE-UHFFFAOYSA-N;140.19;1.02;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC4_SNd";;;;;;;2.2;;0.32;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM445400;MM445400;CC=C1OCC(OC)=C1C;JDIKHZNJJSJDTB-UHFFFAOYSA-N;140.18;1.84;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNa_SC5";;;;;;;1.64;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM445401;MM445401;C=CC1=CC(C#N)=CC1C;RPSIEDLEDLMRLM-UHFFFAOYSA-N;131.18;2.2;;;;;DOPC;MDCG;27;0;"MARTINI bead: SN0_SC3";;;;;;;2.87;;0.37;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM445402;MM445402;Oc1nnnn1O;LUPNLHBSWQYEQR-UHFFFAOYSA-N;102.05;-1.38;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP1_SP2";;;;;;;-1.06;;-9.09;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM445403;MM445403;CCOC1=CCC(=NO)C1;WLZFLXGCUQBXHZ-UHFFFAOYSA-N;141.17;1.53;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC4_SNda";;;;;;;2.2;;0.49;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM445404;MM445404;C=CCC(O)(C=C)CC=C;BPWCJFOXPPPMHA-UHFFFAOYSA-N;138.21;2.06;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_C4";;;;;;;2.97;;0.45;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM445405;MM445405;C=CC1=CC(C)C(C=O)=C1;HATADIUTSRZYAF-UHFFFAOYSA-N;134.18;1.87;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC4_SNa";;;;;;;2.2;;0.34;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM445406;MM445406;C=CC(=NO)C1C(N)C1O;BJYZVJUBDCULHJ-UHFFFAOYSA-N;142.16;-0.68;;;;;DOPC;MDCG;27;1;"MARTINI bead: SP2_Nda";;;;;;;-0.24;;-6.39;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM445407;MM445407;CCCC1=CN=C(NC)C1;KDUUFTBWNFLASV-UHFFFAOYSA-N;138.21;1.69;;;;;DOPC;MDCG;27;1;"MARTINI bead: SC4_SNd";;;;;;;2.2;;-4.61;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM445408;MM445408;CCC1=C(C)C(=NO)OC1;FMMOORWJVKNNQL-UHFFFAOYSA-N;141.17;1.53;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC5_SP1";;;;;;;0.81;;-0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM445409;MM445409;C=CC1=CC(C)C(C#N)=C1;SSAKUWGDSIHMND-UHFFFAOYSA-N;131.18;2.2;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC4_SN0";;;;;;;2.5;;0.44;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM445410;MM445410;C=CC(=CC)C1C(C)N1C;ZVDCRQMTFILBRX-UHFFFAOYSA-N;137.23;1.82;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1_SNd";;;;;;;2.91;;0.66;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM445411;MM445411;CN=C1CC(CCN)=CN1;MVKJHGNWFOOIAG-UHFFFAOYSA-N;139.2;0.24;;;;;DOPC;MDCG;27;1;"MARTINI bead: SNd_SP1";;;;;;;0.04;;-5.91;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM445412;MM445412;CC1=C(CN)COC1=NO;LTWDJMZACXCBFE-UHFFFAOYSA-N;142.16;0.08;;;;;DOPC;MDCG;27;1;"MARTINI bead: SP1_SP1";;;;;;;-0.79;;-5.2;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM445413;MM445413;CC1C=C(C=O)C=C1C=O;NAWHZPCEJPCVFJ-UHFFFAOYSA-N;136.15;0.89;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNa_SNa";;;;;;;0.87;;-2.22;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM445414;MM445414;CC=C(C=O)C1C(C)N1C;VSIVCEZPDWGHEI-UHFFFAOYSA-N;139.2;0.83;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_SNd";;;;;;;0.87;;-1.88;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM445415;MM445415;CCCC1=CN=C(NN)C1;YCQHNOUMGFCNGG-UHFFFAOYSA-N;139.2;0.94;;;;;DOPC;MDCG;27;1;"MARTINI bead: SC4_SP1";;;;;;;1.37;;-1.88;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM445416;MM445416;C=NNC(=N)OCC(F)F;HUMAORMHXBCCTG-UHFFFAOYSA-N;151.12;0.41;;;;;DOPC;MDCG;27;0;"MARTINI bead: N0_P1";;;;;;;0.34;;-1.53;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM445417;MM445417;CC1C=C(C#N)C=C1C=O;RYMROMISUXAJJH-UHFFFAOYSA-N;133.15;1.21;;;;;DOPC;MDCG;27;0;"MARTINI bead: SN0_SNa";;;;;;;1.17;;-1.18;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM445418;MM445418;CC=C(C#N)C1C(C)N1C;WRHOWWQAABFPFN-UHFFFAOYSA-N;136.2;1.16;;;;;DOPC;MDCG;27;0;"MARTINI bead: N0_SNd";;;;;;;1.17;;-1.04;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM445419;MM445419;NCCC1=CN=C(NO)C1;UGMZAVYWTIGSRA-UHFFFAOYSA-N;141.17;;;;;;DOPC;MDCG;27;1;"MARTINI bead: SNd_SP1";;;;;;;0.04;;-5.09;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM445420;MM445420;C=NN=C(NC(=C)C)OC;UJDATGBRSFBIKY-UHFFFAOYSA-N;141.17;0.73;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nd_Na";;;;;;;0.87;;-1.88;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM445421;MM445421;CC1C=C(C=O)C=C1C#N;ISMIVKSNAIBWON-UHFFFAOYSA-N;133.15;1.21;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNa_SN0";;;;;;;1.17;;-1.18;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM445422;MM445422;CC1C(C(C#N)=CN)N1C;CIZYQLFJTLDIAK-UHFFFAOYSA-N;137.19;0.06;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNd_P1";;;;;;;0.04;;-2.63;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM445423;MM445423;CNCC1=CN=C(NC)C1;ONRQQUMCLRYLRT-UHFFFAOYSA-N;139.2;0.11;;;;;DOPC;MDCG;27;1;"MARTINI bead: SP1_SNd";;;;;;;0.04;;-7.57;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM445424;MM445424;COC1=C(C)C(=NO)OC1;YHMITHIHKXRXFH-UHFFFAOYSA-N;143.14;0.72;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNa_SP1";;;;;;;0.04;;-2.54;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM445425;MM445425;CC1C=C(C#N)C=C1C#N;NNLZHZKWQWHSQM-UHFFFAOYSA-N;130.15;1.54;;;;;DOPC;MDCG;27;0;"MARTINI bead: SN0_SN0";;;;;;;1.47;;-0.05;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM445426;MM445426;CC1C(C(C#N)=CF)N1C;UPELITFPDNYVIH-UHFFFAOYSA-N;140.16;1.07;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNd_Na";;;;;;;0.87;;-1.88;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM445427;MM445427;CNCC1=CN=C(NN)C1;JKVZVQMYMSADEJ-UHFFFAOYSA-N;140.19;-0.64;;;;;DOPC;MDCG;27;1;"MARTINI bead: SP1_SP1";;;;;;;-0.79;;-5.12;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM445428;MM445428;C=C(C)C(C)(O)CC1CC1;ALINTPKMHFBQFP-UHFFFAOYSA-N;140.23;2.11;;;;;DOPC;MDCG;27;0;"MARTINI bead: N0_SC5";;;;;;;1.94;;0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM445429;MM445429;C=CC1=CC(N)C(C=C)=C1;NKHGYYJTBLHDSW-UHFFFAOYSA-N;133.19;1.55;;;;;DOPC;MDCG;27;1;"MARTINI bead: SC4_SNd";;;;;;;2.2;;-1.29;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM445430;MM445430;C=CC(=NN)C1C(C)N1C;KAUGPRIMFVJKIG-UHFFFAOYSA-N;139.2;0.19;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNd_Nd";;;;;;;0.87;;-2.11;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM445431;MM445431;CNCC1=CN=C(NO)C1;BQWIQPGULAAAMZ-UHFFFAOYSA-N;141.17;-0.13;;;;;DOPC;MDCG;27;1;"MARTINI bead: SP1_SP1";;;;;;;-0.79;;-4.88;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM445432;MM445432;Cc1c(CO)[nH]oc1=NN;UBIBKXATTIACFR-UHFFFAOYSA-N;143.15;-0.82;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNda_SP2";;;;;;;-0.24;;-3.31;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM445433;MM445433;C#CC1=CC(C)C(C=C)=C1;DCSGNFWVMWVDLM-UHFFFAOYSA-N;130.19;2.31;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC5_SC3";;;;;;;3.34;;0.48;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM445434;MM445434;O=CC(=NO)C(F)(F)CO;YJHDRLVQYQLOFX-UHFFFAOYSA-N;153.08;-0.36;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_P1";;;;;;;-0.79;;-9.07;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM445435;MM445435;CC=C1CC(CCC)=CO1;PYYUWNOPWQWNOJ-UHFFFAOYSA-N;138.21;2.99;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC4_SC5";;;;;;;2.97;;0.45;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM445436;MM445436;CCc1[nH]oc(=NO)c1C;VXVSMSHIWLEIOC-UHFFFAOYSA-N;142.16;0.77;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC5_SP2";;;;;;;0.54;;-1.09;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM445437;MM445437;C#CC1=CC(C)C(C=O)=C1;ZIXMQZFXDVYCEL-UHFFFAOYSA-N;132.16;1.32;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC5_SNa";;;;;;;1.64;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM445438;MM445438;C=CC(=NC)N1C(C)C1C;MQVCYFNEKPUYCK-UHFFFAOYSA-N;138.21;1.29;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_SP1";;;;;;;0.04;;-5.38;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM445439;MM445439;CC=C1CC(CCN)=CO1;VSTORCYNKSPPEM-UHFFFAOYSA-N;139.2;1.54;;;;;DOPC;MDCG;27;1;"MARTINI bead: SC5_SP1";;;;;;;0.81;;-3.23;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM445440;MM445440;Cc1c(CN)[nH]oc1=NO;HIOLWWPCXWTRFP-UHFFFAOYSA-N;143.15;-0.34;;;;;DOPC;MDCG;27;1;"MARTINI bead: SP1_SP2";;;;;;;-1.06;;-5.81;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM445441;MM445441;C#CC1=CC(C)C(C#N)=C1;YXGZAZBIVCLIRZ-UHFFFAOYSA-N;129.16;1.65;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC5_SN0";;;;;;;1.94;;0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM445442;MM445442;C=CNC=NN=COCC;XEOZTRPQRQPKDN-UHFFFAOYSA-N;141.17;0.73;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_Nd";;;;;;;0.87;;-1.88;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM445443;MM445443;CCCC1=COC(=CF)C1;TVYMIAUVFYAYDY-UHFFFAOYSA-N;142.17;2.9;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC4_SC5";;;;;;;2.97;;0.45;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM445444;MM445444;CCc1[nH]oc(=NN)c1N;JYNDBTNQRMVGGW-UHFFFAOYSA-N;142.16;-0.47;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNd_SP2";;;;;;;-0.24;;-3.16;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM445445;MM445445;C#CC1=CC(N)C(C=C)=C1;OZXTWEZOMKCYHJ-UHFFFAOYSA-N;131.18;1;;;;;DOPC;MDCG;27;1;"MARTINI bead: SC5_SNd";;;;;;;1.64;;-1.74;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM445446;MM445446;CN=C(C#N)N1C(C)C1C;WQKWXLBFHJKMTE-UHFFFAOYSA-N;137.19;0.63;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_SP1";;;;;;;-1.06;;-3.82;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM445447;MM445447;NCCC1=COC(=CF)C1;XHPOCLJTXHRMFI-UHFFFAOYSA-N;143.16;1.45;;;;;DOPC;MDCG;27;1;"MARTINI bead: SP1_SC5";;;;;;;0.81;;-3.23;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM445448;MM445448;NN=c1o[nH]c(CO)c1N;MSILCHBLXPCWMY-UHFFFAOYSA-N;144.13;-1.54;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP2_SP1";;;;;;;-1.06;;-3.82;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM445449;MM445449;C#CC1=CC(CC)=CC1C;BULXSFUZMBQWBR-UHFFFAOYSA-N;132.21;2.53;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC3_SC5";;;;;;;3.34;;0.48;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM445450;MM445450;C#CC(=CC)C1C(C)C1C;LGARYZGWVPBHQF-UHFFFAOYSA-N;134.22;2.47;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4_SC5";;;;;;;2.97;;0.45;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM445451;MM445451;C#CC(=CCC)OC=NN;DLFREUJRWUZMHG-UHFFFAOYSA-N;138.17;0.83;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_P1";;;;;;;0.81;;-0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM445452;MM445452;NN=c1o[nH]c(CF)c1N;FPXUADBZVXRFBY-UHFFFAOYSA-N;146.13;-0.57;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP2_SNda";;;;;;;-0.24;;-3.31;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM445453;MM445453;C#CC1=CC(CN)=CC1C;BOEZPOQABUYXPA-UHFFFAOYSA-N;133.19;1.08;;;;;DOPC;MDCG;27;1;"MARTINI bead: SNd_SC5";;;;;;;1.64;;-2.09;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM445454;MM445454;C#CC(=CF)C1C(C)C1C;SUZFDKDLRFNHKA-UHFFFAOYSA-N;138.19;2.38;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC5_C5";;;;;;;2.41;;0.64;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM445455;MM445455;CCCC1=COC(=NO)C1;NSWQPYCXHRIMSH-UHFFFAOYSA-N;141.17;1.88;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC4_SNda";;;;;;;2.2;;0.49;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM445456;MM445456;CCc1[nH]oc(=NO)c1N;WOPHNWOKTPJPAH-UHFFFAOYSA-N;143.15;0.04;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNd_SP2";;;;;;;-0.24;;-3.16;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM445457;MM445457;C#CC1=CC(CO)=CC1C;XABPTRMGTCEJCG-UHFFFAOYSA-N;134.18;1.11;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNda_SC5";;;;;;;1.64;;0.05;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM445458;MM445458;C#CC(=CC)C1C(C)C1N;ITWVXBOKJAVULM-UHFFFAOYSA-N;135.21;1.16;;;;;DOPC;MDCG;27;1;"MARTINI bead: C4_SNd";;;;;;;2.2;;-2.01;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM445459;MM445459;C#CCOC(=NN)C(C)F;NPUVCFVBWFJAHW-UHFFFAOYSA-N;144.15;0.27;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_Nda";;;;;;;1.64;;0.05;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM445460;MM445460;Nc1c(CO)[nH]oc1=NO;RJYLQADPPPNFDO-UHFFFAOYSA-N;145.12;-1.03;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP1_SP2";;;;;;;-1.06;;-3.82;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM445461;MM445461;C#CC1=CC(CF)=CC1C;WDIQQQZMEPHMBG-UHFFFAOYSA-N;136.17;2.09;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC5_SC5";;;;;;;2.41;;0.64;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM445462;MM445462;C=CNC=NN=COC=C;YZVNQIIZXGLGEU-UHFFFAOYSA-N;139.16;0.85;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_C5";;;;;;;0.81;;-0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM445463;MM445463;C#CC(OC=NN)=C(F)F;NEEITNJPGNJZJL-UHFFFAOYSA-N;146.1;0.65;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda_N0";;;;;;;1.17;;-1.13;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM445464;MM445464;CCOC(C)=NN=CNC;LMGXQNZBFHVELC-UHFFFAOYSA-N;143.19;0.6;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_P2";;;;;;;0.54;;-1.09;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM445465;MM445465;C#CC1=CC(CC)=CC1N;OVCQXJUXTMRQBL-UHFFFAOYSA-N;133.19;1.22;;;;;DOPC;MDCG;27;1;"MARTINI bead: SC3_SNd";;;;;;;2.57;;-0.22;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM445466;MM445466;C#CC(=CC)C1C(C)C1F;ZPDODVWSAQHTAS-UHFFFAOYSA-N;138.19;2.17;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4_SNa";;;;;;;2.2;;0.34;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM445467;MM445467;CCCC1=NN=C(NO)C1;WFWWQZMBCXSPBT-UHFFFAOYSA-N;141.17;0.92;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC5_SP1";;;;;;;0.81;;-0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM445468;MM445468;CNc1[nH]oc(=NO)c1C;IVOTYOFGAWEQRM-UHFFFAOYSA-N;143.15;0.25;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNd_SP2";;;;;;;-0.24;;-3.16;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM445469;MM445469;C#CC1=CC(CN)=CC1N;MWMCEOGWAPWQSY-UHFFFAOYSA-N;134.18;-0.23;;;;;DOPC;MDCG;27;1;"MARTINI bead: SNd_SNd";;;;;;;0.87;;-4.38;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM445470;MM445470;C#CC(=CF)C1C(C)C1F;GMEWQASNHPCKNH-UHFFFAOYSA-N;142.15;2.08;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNa_C5";;;;;;;1.64;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM445471;MM445471;CCCC1=NOC(=NN)C1;FGBNGOBFMAMNPV-UHFFFAOYSA-N;141.17;0.84;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC5_SP1";;;;;;;0.81;;-0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM445472;MM445472;C#CCC(F)C(C)=NNC;WVVJNFCEAYHNOF-UHFFFAOYSA-N;142.18;0.94;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nd_Na";;;;;;;0.87;;-1.88;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM445473;MM445473;C#CC1=CC(CO)=CC1N;NOISKGLCSHDCQP-UHFFFAOYSA-N;135.17;-0.19;;;;;DOPC;MDCG;27;1;"MARTINI bead: SNda_SNd";;;;;;;0.87;;-3.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM445474;MM445474;C#CC(=CC)C1C(N)C1N;CTFDMUTXFRDDPV-UHFFFAOYSA-N;136.2;-0.15;;;;;DOPC;MDCG;27;1;"MARTINI bead: C4_SP3";;;;;;;0.23;;-3.03;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM445475;MM445475;CCCC1=NOC(=NO)C1;SRYHPLMGGQONNA-UHFFFAOYSA-N;142.16;1.35;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC5_SP1";;;;;;;0.81;;-0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM445476;MM445476;CNc1[nH]oc(=NO)c1N;QFKDYSDZTQLTCZ-UHFFFAOYSA-N;144.13;-0.48;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNd_SP3";;;;;;;-1.1;;-3.93;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM445477;MM445477;C#CC1=CC(CF)=CC1N;VJRWLVONADBGEY-UHFFFAOYSA-N;137.16;0.78;;;;;DOPC;MDCG;27;1;"MARTINI bead: SC5_SNd";;;;;;;1.64;;-1.34;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM445478;MM445478;C#CC(=CC)C1C(N)C1O;YUTOTRXQNZPOOS-UHFFFAOYSA-N;137.18;-0.12;;;;;DOPC;MDCG;27;1;"MARTINI bead: C4_SP2";;;;;;;1.09;;-2.22;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM445479;MM445479;CCCC1=CCC(=NC)N1;LTXHZZYAIFHQMI-UHFFFAOYSA-N;138.21;1.69;;;;;DOPC;MDCG;27;1;"MARTINI bead: SC5_SN0";;;;;;;1.94;;-2;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM445480;MM445480;CNc1[nH]oc(=NN)c1O;AXZMYOOKFDWFBQ-UHFFFAOYSA-N;144.13;-0.87;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNd_SP2";;;;;;;-0.24;;-3.16;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM445481;MM445481;C#CC1=CC(CC)=CC1O;KBSQJVZYVCBZEV-UHFFFAOYSA-N;134.18;1.26;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC3_SNda";;;;;;;2.57;;0.44;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM445482;MM445482;C#CC(=CC)C1C(N)C1F;NFHQJUFWHQIGOH-UHFFFAOYSA-N;139.17;0.86;;;;;DOPC;MDCG;27;1;"MARTINI bead: C4_SP1";;;;;;;1.37;;-1.15;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM445483;MM445483;Cc1c(C)n(C)oc1=NN;LUXFUBCFIDNERX-UHFFFAOYSA-N;141.17;0.01;;;;;DOPC;MDCG;27;0;"MARTINI bead: SN0_SP2";;;;;;;0.06;;-2.21;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM445484;MM445484;CNc1[nH]oc(=NO)c1O;AMGPEKKKZWRYTJ-UHFFFAOYSA-N;145.12;-0.36;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNd_SP2";;;;;;;-0.24;;-3.16;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM445485;MM445485;C#CC1=CC(CN)=CC1O;PJGSKEMLJKGJPK-UHFFFAOYSA-N;135.17;-0.19;;;;;DOPC;MDCG;27;1;"MARTINI bead: SNd_SNda";;;;;;;0.87;;-3.81;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM445486;MM445486;C#CC(=CF)C1C(O)C1O;ULIXGNHLRUNDCG-UHFFFAOYSA-N;142.13;-0.18;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP2_C5";;;;;;;0.54;;-1.09;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM445487;MM445487;CCCc1c[nH]c(=NC)[nH]1;FUMLWHPWOFGSNA-UHFFFAOYSA-N;139.2;0.83;;;;;DOPC;MDCG;27;1;"MARTINI bead: SNd_SP1";;;;;;;0.04;;-6.62;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM445488;MM445488;CNc1[nH]oc(=NN)c1F;SHGNSJCHJPFZPP-UHFFFAOYSA-N;146.13;-0.44;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNda_SP2";;;;;;;-0.24;;-3.31;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM445489;MM445489;C#CC1=CC(CF)=CC1O;QGZWXZAUFNPHOP-UHFFFAOYSA-N;138.14;0.82;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC5_SNda";;;;;;;1.64;;0.05;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM445490;MM445490;C#CC(=NN)C1C(C)C1C;KGDNOYCRQFMXTQ-UHFFFAOYSA-N;136.2;0.84;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC5_Nd";;;;;;;1.64;;0.02;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM445491;MM445491;CCCc1c[nH]c(=NN)[nH]1;WMIQQMNLKQXVME-UHFFFAOYSA-N;140.19;0.07;;;;;DOPC;MDCG;27;1;"MARTINI bead: SNd_SP2";;;;;;;-0.24;;-5.69;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM445492;MM445492;COc1[nH]oc(=NO)c1C;DFCHKNRZCBNENU-UHFFFAOYSA-N;144.13;0.21;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNda_SP2";;;;;;;-0.24;;-3.31;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM445493;MM445493;C#CC1=CC(OC)=CC1C;IWHWNWNUNRFAPL-UHFFFAOYSA-N;134.18;1.73;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNa_SC5";;;;;;;1.64;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM445494;MM445494;CN=CNN=CCC=NN;JNYWNKVTOXIBBO-UHFFFAOYSA-N;141.18;-0.45;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_Nd";;;;;;;0.04;;-2.63;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM445495;MM445495;CCNc1c[nH]c(=NC)[nH]1;WLUDLQXJUAFISK-UHFFFAOYSA-N;140.19;0.31;;;;;DOPC;MDCG;27;1;"MARTINI bead: SNd_SP1";;;;;;;0.04;;-6.82;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM445496;MM445496;COc1[nH]oc(=NO)c1N;YQPSLPQAWZZVNE-UHFFFAOYSA-N;145.12;-0.51;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNda_SP3";;;;;;;-1.1;;-3.97;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM445497;MM445497;C#CC1=CC(OC)=CC1N;WKKRKFGESNFRMP-UHFFFAOYSA-N;135.17;0.42;;;;;DOPC;MDCG;27;1;"MARTINI bead: SNa_SNd";;;;;;;0.87;;-3.25;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM445498;MM445498;C#CC(=NO)C1C(C)C1F;DYFKBGOLRSSUGW-UHFFFAOYSA-N;141.15;1.05;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNa_Nda";;;;;;;0.87;;-1.99;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM445499;MM445499;CCCc1coc(=NN)[nH]1;KLGNPPFRUVRWBA-UHFFFAOYSA-N;141.17;0.33;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC5_SP2";;;;;;;0.54;;-1.09;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM445500;MM445500;C=CC1=C(C)C(=CC)CC1;AVMMYWZAMKYOKX-UHFFFAOYSA-N;134.22;3.23;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC3_SC3";;;;;;;4.27;;0.2;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM445501;MM445501;C#CC1=CC(OC)=CC1O;YWTYWVIJNDGDSU-UHFFFAOYSA-N;136.15;0.45;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNa_SNda";;;;;;;0.87;;-1.99;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM445502;MM445502;CC(=O)C(N)=NN(C)C;WBSKLXBWFXXVLO-UHFFFAOYSA-N;129.16;-0.59;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_P2";;;;;;;-1.06;;-3.82;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM445503;MM445503;CCNc1coc(=NC)[nH]1;IALUUXZNJOILTD-UHFFFAOYSA-N;141.17;0.57;;;;;DOPC;MDCG;27;1;"MARTINI bead: SNd_SP1";;;;;;;0.04;;-4.46;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM445504;MM445504;CC=C1CCC(C=O)=C1C;HCGCFQZDUPJNKE-UHFFFAOYSA-N;136.19;2.24;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC3_SNa";;;;;;;2.57;;0.45;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM445505;MM445505;C#CC1=CC(C=C)=CC1C;SLOIKGLTJVVPTE-UHFFFAOYSA-N;130.19;2.31;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC4_SC5";;;;;;;2.97;;0.45;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM445506;MM445506;C#CC(=CC)C1C(C)N1C;VNZSBMJXGAAQHO-UHFFFAOYSA-N;135.21;1.27;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4_SNd";;;;;;;2.2;;0.32;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM445507;MM445507;CCNc1coc(=NO)[nH]1;KGXWXBFSJAGTCJ-UHFFFAOYSA-N;143.15;0.33;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNd_SP2";;;;;;;-0.24;;-3.16;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM445508;MM445508;CC=C1CCC(C#N)=C1C;ARDWEBVKVRLNFH-UHFFFAOYSA-N;133.19;2.57;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC3_SC5";;;;;;;3.34;;0.48;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM445509;MM445509;C#CC1=CC(C=O)=CC1C;JTCLHLFKOWPPJK-UHFFFAOYSA-N;132.16;1.32;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNa_SC5";;;;;;;1.64;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM445510;MM445510;C#CC#CC(F)C=NN;XJAOFANMBAHJCP-UHFFFAOYSA-N;124.12;-0.09;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_C5";;;;;;;0.81;;-0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM445511;MM445511;CC=C1CNC(CCC)=N1;OZQOGOVQMTUVEW-UHFFFAOYSA-N;138.21;1.69;;;;;DOPC;MDCG;27;1;"MARTINI bead: SC5_SP1";;;;;;;0.81;;-3.02;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM445512;MM445512;C=CC1=C(C)C(=CF)CC1;NATZHVWTAKERPF-UHFFFAOYSA-N;138.19;3.14;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC3_SC4";;;;;;;3.9;;0.47;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM445513;MM445513;C#CC1=CC(C#N)=CC1C;HUEAJLJCWXHJGK-UHFFFAOYSA-N;129.16;1.65;;;;;DOPC;MDCG;27;0;"MARTINI bead: SN0_SC5";;;;;;;1.94;;0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM445514;MM445514;NCCCCC1C(N)C1N;DIGOPWDJICNSSI-UHFFFAOYSA-N;143.23;-0.6;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_SP3";;;;;;;-1.1;;-6.76;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM445515;MM445515;Cc1c(C)n(N)oc1=NN;AOZKGFRFARSDSN-UHFFFAOYSA-N;142.16;-0.81;;;;;DOPC;MDCG;27;0;"MARTINI bead: SN0_SP2";;;;;;;0.06;;-2.21;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM445516;MM445516;CC1=C(C=O)CCC1=CF;BMLAOVPQKHGUPB-UHFFFAOYSA-N;140.16;2.15;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNa_SC4";;;;;;;2.2;;0.34;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM445517;MM445517;C#CC1=CC(C=C)=CC1N;SHSCLEOQNIRFOX-UHFFFAOYSA-N;131.18;1;;;;;DOPC;MDCG;27;1;"MARTINI bead: SC4_SNd";;;;;;;2.2;;-0.87;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM445518;MM445518;CNCCCC1C(C)C1C;SQEKOXDQHCYXRP-UHFFFAOYSA-N;141.26;1.89;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_SC5";;;;;;;1.64;;-3.02;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM445519;MM445519;CC=C1CN=C(NCC)N1;MEYLUUALFKNTCA-UHFFFAOYSA-N;139.2;0.46;;;;;DOPC;MDCG;27;1;"MARTINI bead: SNd_SN0";;;;;;;1.17;;-5.03;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM445520;MM445520;CC1=C(C#N)CCC1=CF;JDWBWZBPTCVUDC-UHFFFAOYSA-N;137.16;2.47;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC5_SC4";;;;;;;2.97;;0.45;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM445521;MM445521;C#CC1=CC(C=C)=CC1O;JZOZUARIVAMPDP-UHFFFAOYSA-N;132.16;1.03;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC4_SNda";;;;;;;2.2;;0.49;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM445522;MM445522;CNCCCC1C(C)C1N;AUBOLUKGAOVTOS-UHFFFAOYSA-N;142.25;0.58;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_SNd";;;;;;;0.87;;-5.37;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM445523;MM445523;CCNC1=NCC(=NC)N1;ACZLCDBAMLSPBQ-UHFFFAOYSA-N;140.19;-0.42;;;;;DOPC;MDCG;27;1;"MARTINI bead: SNd_SP1";;;;;;;0.04;;-5.24;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM445524;MM445524;NC1=C(C=O)CCC1=CF;DIQONNGSKNCXIE-UHFFFAOYSA-N;141.15;1.05;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP1_SC4";;;;;;;1.37;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM445525;MM445525;C#CC1=CC(C#N)=CC1O;XCUKUUSELPAMDS-UHFFFAOYSA-N;131.13;0.37;;;;;DOPC;MDCG;27;0;"MARTINI bead: SN0_SNda";;;;;;;1.17;;-1.13;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM445526;MM445526;CNCCCC1C(C)C1O;BXMLIQWOLOTLQA-UHFFFAOYSA-N;143.23;0.61;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_SNda";;;;;;;0.87;;-5.04;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM445527;MM445527;CCNC1=NCC(=NN)N1;UGIDXRQGGKZORB-UHFFFAOYSA-N;141.18;-1.17;;;;;DOPC;MDCG;27;1;"MARTINI bead: SNd_SP2";;;;;;;-0.24;;-5.33;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM445528;MM445528;N#CC1=C(N)C(=CF)CC1;YUSUBGHFXSJMFZ-UHFFFAOYSA-N;138.15;1.37;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNd_SC4";;;;;;;2.2;;0.32;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM445529;MM445529;C#CC1=CC(C)C(C#C)=C1;WKHFMSDCHOIZIL-UHFFFAOYSA-N;128.17;1.76;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC5_SC5";;;;;;;2.41;;0.64;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM445530;MM445530;CCNCCC1C(C)C1C;MYHFDHQYPTYTPE-UHFFFAOYSA-N;141.26;1.89;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_SN0";;;;;;;1.17;;-4.23;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM445531;MM445531;CC=C1CC=C(CCC)O1;IWSVGUROCOKLCC-UHFFFAOYSA-N;138.21;2.99;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC4_SC5";;;;;;;2.97;;0.45;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM445532;MM445532;C=CC1=C(C)C(=NN)CC1;BODAOWFVBORYEY-UHFFFAOYSA-N;136.2;1.6;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC3_SNd";;;;;;;2.57;;0.53;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM445533;MM445533;C#CC1=CC(N)C(C#C)=C1;JDQBRFYXSZDRQZ-UHFFFAOYSA-N;129.16;0.45;;;;;DOPC;MDCG;27;1;"MARTINI bead: SC5_SNd";;;;;;;1.64;;-1.31;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM445534;MM445534;CCNCCC1C(C)C1N;ORRFVFXEBUWHAD-UHFFFAOYSA-N;142.25;0.58;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_SNd";;;;;;;0.87;;-5.42;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM445535;MM445535;CCCC1=CCC(=CF)O1;UOPVMPOVZDGVFW-UHFFFAOYSA-N;142.17;2.9;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC4_SC5";;;;;;;2.97;;0.45;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM445536;MM445536;C=CC1=C(C)C(=NO)CC1;QVGMVGMSIGARCM-UHFFFAOYSA-N;137.18;2.11;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC3_SNda";;;;;;;2.57;;0.44;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM445537;MM445537;C#CC1=CC(O)C(C#C)=C1;FGTWHUGVVBMVHY-UHFFFAOYSA-N;130.15;0.48;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC5_SNda";;;;;;;1.64;;0.05;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM445538;MM445538;CCOCCC1C(C)C1C;FOXPUVSUAGZEJV-UHFFFAOYSA-N;142.24;2.32;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_SC5";;;;;;;2.41;;0.64;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM445539;MM445539;Cc1c(N)n(C)oc1=NN;YYITYULEJGIKFJ-UHFFFAOYSA-N;142.16;-0.72;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNd_SP2";;;;;;;-0.24;;-3.16;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM445540;MM445540;CC1=C(C=O)CCC1=NO;AKKMKVXEHWPAAY-UHFFFAOYSA-N;139.15;1.13;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNa_SNda";;;;;;;0.87;;-1.99;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM445541;MM445541;C=C1C=C(CC)C=C1CC;HCUVMXMAVFRSGY-UHFFFAOYSA-N;134.22;3.23;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC3_SC3";;;;;;;4.27;;0.2;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM445542;MM445542;CCCNCC1C(C)C1C;UJMLVYFPHVTLCG-UHFFFAOYSA-N;141.26;1.89;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_SC5";;;;;;;1.64;;-3.26;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM445543;MM445543;CCCC1=CCC(=NO)O1;RRMLCRXZAUNRCR-UHFFFAOYSA-N;141.17;1.88;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC4_SNda";;;;;;;2.2;;0.49;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM445544;MM445544;CC1=C(C#N)CCC1=NO;OGCZYVHEVHAJPI-UHFFFAOYSA-N;136.15;1.45;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC5_SNda";;;;;;;1.64;;0.05;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM445545;MM445545;C=C1C=C(CN)C=C1CC;RDRRQGZSFCQAMK-UHFFFAOYSA-N;135.21;1.78;;;;;DOPC;MDCG;27;1;"MARTINI bead: SC3_SNd";;;;;;;2.57;;-0.92;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM445546;MM445546;CCCNCC1C(C)C1N;VTSZEHYESWBWNX-UHFFFAOYSA-N;142.25;0.58;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_SNd";;;;;;;0.87;;-5.2;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM445547;MM445547;NN=COc1coc(=O)o1;QTORNZDVFLTLOD-UHFFFAOYSA-N;144.09;-0.49;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_SP2";;;;;;;-1.06;;-3.82;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM445548;MM445548;C=CC1=NCC(NN)=C1C;RBOXUMWUANQDBS-UHFFFAOYSA-N;137.19;0.36;;;;;DOPC;MDCG;27;1;"MARTINI bead: SNd_SC5";;;;;;;1.64;;-1.67;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM445549;MM445549;C=C1C=C(CO)C=C1CC;SVWCEVYTDZCNLM-UHFFFAOYSA-N;136.19;1.81;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC3_SNda";;;;;;;2.57;;0.44;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM445550;MM445550;CCCNCC1C(C)C1O;PHNIZXLQTBQYDI-UHFFFAOYSA-N;143.23;0.61;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_SNda";;;;;;;0.87;;-4.78;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM445551;MM445551;NN=COc1noc(=O)o1;VOKAEGNXUBNBLT-UHFFFAOYSA-N;145.07;-1.09;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_SP2";;;;;;;-1.06;;-3.82;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM445552;MM445552;C=CC1=NCC(NO)=C1C;OCWZCXQMJPKNIJ-UHFFFAOYSA-N;138.17;0.88;;;;;DOPC;MDCG;27;1;"MARTINI bead: SNda_SC5";;;;;;;1.64;;-1.29;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM445553;MM445553;C=C1C=C(CF)C=C1CC;FBLBIFCESPXVHZ-UHFFFAOYSA-N;138.19;2.79;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC3_SC5";;;;;;;3.34;;0.48;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM445554;MM445554;CCCNCC1C(N)C1O;UVTOIWOZDZKMNI-UHFFFAOYSA-N;144.22;-0.7;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_SP2";;;;;;;-0.24;;-5.7;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM445555;MM445555;CCc1cn(C)oc1=NN;WXRXSBBTDGTGLV-UHFFFAOYSA-N;141.17;-0.05;;;;;DOPC;MDCG;27;0;"MARTINI bead: SN0_SP2";;;;;;;0.06;;-2.21;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM445556;MM445556;CC=CN(C)C(=N)C(C)=O;XNTXZUFMQICRJB-UHFFFAOYSA-N;140.19;1.02;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nd_Na";;;;;;;0.87;;-1.88;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM445557;MM445557;C=C1C=C(CC)C=C1CN;BJKMSVDDMDTLFA-UHFFFAOYSA-N;135.21;1.78;;;;;DOPC;MDCG;27;1;"MARTINI bead: SC3_SNd";;;;;;;2.57;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM445558;MM445558;COCOCC1C(C)C1C;WDYNFECXXARQIT-UHFFFAOYSA-N;144.21;1.51;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_SC5";;;;;;;0.81;;-0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM445559;MM445559;CCc1cn(N)oc1=NN;ZQBHMJCJWJKNGB-UHFFFAOYSA-N;142.16;-0.87;;;;;DOPC;MDCG;27;0;"MARTINI bead: SN0_SP2";;;;;;;0.06;;-2.21;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM445560;MM445560;CC1=C(C#N)NCC1=NO;PZBOCQXAGDCJFT-UHFFFAOYSA-N;137.14;0.22;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNd_SP2";;;;;;;-0.24;;-3.16;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM445561;MM445561;C=C1C=C(CN)C=C1CN;AQBUJTLKKNNGDC-UHFFFAOYSA-N;136.2;0.33;;;;;DOPC;MDCG;27;1;"MARTINI bead: SNd_SNd";;;;;;;0.87;;-4.6;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM445562;MM445562;COCOCC1C(C)C1N;GQGURTPASSSNJE-UHFFFAOYSA-N;145.2;0.2;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1_SNd";;;;;;;0.04;;-5.23;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM445563;MM445563;CCCc1coc(=NO)o1;GONNLQKMQCIJLK-UHFFFAOYSA-N;143.14;1.12;;;;;DOPC;MDCG;27;0;"MARTINI bead: C3_SP2";;;;;;;1.46;;-0.14;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM445564;MM445564;C=CC1=C(C)C(=CC)CO1;WFAYESLRRDJMTB-UHFFFAOYSA-N;136.19;2.42;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC5_SC5";;;;;;;2.41;;0.64;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM445565;MM445565;C=C1C=C(CO)C=C1CN;JRQDMGXJNQBPEM-UHFFFAOYSA-N;137.18;0.36;;;;;DOPC;MDCG;27;1;"MARTINI bead: SNd_SNda";;;;;;;0.87;;-4.09;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM445566;MM445566;COCOCC1C(C)C1O;BRHXZYLVUGENDS-UHFFFAOYSA-N;146.19;0.23;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_SNda";;;;;;;0.04;;-2.73;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM445567;MM445567;NCCc1coc(=NO)o1;DAISHMDFFBNMSV-UHFFFAOYSA-N;144.13;-0.34;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1_SP2";;;;;;;-1.06;;-6.21;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM445568;MM445568;CC=C1COC(C#N)=C1C;XSGFBBIWBHNSQC-UHFFFAOYSA-N;135.17;1.76;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC5_SNa";;;;;;;1.64;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM445569;MM445569;CC(C)C1=CC(=NN)CC1;UPACJZJUHRTMRI-UHFFFAOYSA-N;138.21;1.68;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC1_SNd";;;;;;;2.91;;0.63;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM445570;MM445570;CCCCNC1C(C)C1C;QYYKFHDBOQPKSF-UHFFFAOYSA-N;141.26;2.03;;;;;DOPC;MDCG;27;1;"MARTINI bead: C1_SNd";;;;;;;2.91;;-0.87;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM445571;MM445571;C=CC(OC)C(=NN)OC;YGEWISZZIYAABD-UHFFFAOYSA-N;144.17;0.11;;;;;DOPC;MDCG;27;0;"MARTINI bead: N0_P1";;;;;;;0.34;;-1.53;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM445572;MM445572;CC1=C(C=O)OCC1=CF;MPCZKDWOWUZQQE-UHFFFAOYSA-N;142.13;1.34;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNa_SNa";;;;;;;0.87;;-2.22;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM445573;MM445573;C=C1C=C(CN)C=C1CO;HOZTWCOMPCYUOL-UHFFFAOYSA-N;137.18;0.36;;;;;DOPC;MDCG;27;1;"MARTINI bead: SNd_SNda";;;;;;;0.87;;-4.11;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM445574;MM445574;CCCCNC1C(C)C1N;SFBSJABCJDIFOG-UHFFFAOYSA-N;142.25;0.72;;;;;DOPC;MDCG;27;1;"MARTINI bead: C1_SP2";;;;;;;1.8;;-1.45;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM445575;MM445575;C#CC(=NN)N(C=O)NC;XMOAHXQMCQTDPS-UHFFFAOYSA-N;140.15;-1.52;;;;;DOPC;MDCG;27;0;"MARTINI bead: P4_P1";;;;;;;-2.01;;-5.13;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM445576;MM445576;CC1=C(C#N)OCC1=CF;JCBUKOWHLLCTQB-UHFFFAOYSA-N;139.13;1.67;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNa_SNa";;;;;;;0.87;;-2.22;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM445577;MM445577;NN=C1C=CCC1;WNJLURJCEGDKBN-UHFFFAOYSA-N;96.13;0.65;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNd_SC5";;;;;;;1.64;;0.02;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM445578;MM445578;CCCCNC1C(C)C1O;LFDATMLFPVHNKV-UHFFFAOYSA-N;143.23;0.76;;;;;DOPC;MDCG;27;1;"MARTINI bead: C1_SP2";;;;;;;1.8;;-1.2;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM445579;MM445579;CCNc1coc(=NO)o1;RCEVDGUZCDHBGO-UHFFFAOYSA-N;144.13;0.59;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_SP2";;;;;;;-1.06;;-3.82;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM445580;MM445580;N#CC1=C(N)C(=CF)CO1;UNLXUUNUGZJYML-UHFFFAOYSA-N;140.12;0.56;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP1_SNa";;;;;;;0.04;;-2.54;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM445581;MM445581;C=C1C=C(OC)C=C1CC;YYUGEFIAUWJCTG-UHFFFAOYSA-N;136.19;2.42;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC3_SNa";;;;;;;2.57;;0.45;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM445582;MM445582;CCCCNC1C(C)C1F;WVZVVVVBABYNCO-UHFFFAOYSA-N;145.22;1.73;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_SNa";;;;;;;0.87;;-3.24;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM445583;MM445583;C#CC(NC)C(=NN)OC;PLOLJNIHOBRWCV-UHFFFAOYSA-N;141.17;-0.87;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_P1";;;;;;;-1.06;;-3.82;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM445584;MM445584;C=CC1=C(C)C(=NO)CO1;PPVNOTVJQZLYJR-UHFFFAOYSA-N;139.15;1.31;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC5_SNda";;;;;;;1.64;;0.05;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM445585;MM445585;C=C1C=C(OC)C=C1CO;GOABFBAEFIQUBJ-UHFFFAOYSA-N;138.17;1.01;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNa_SNda";;;;;;;0.87;;-1.99;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM445586;MM445586;CCCCNC1C(N)C1N;KRYKKVOLVFGLAB-UHFFFAOYSA-N;143.23;-0.59;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_SP3";;;;;;;-1.1;;-5.87;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM445587;MM445587;C#CC(C#C)C(=NN)OC;KUEBYXNIFKONDE-UHFFFAOYSA-N;136.15;-0.21;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_N0";;;;;;;0.34;;-1.53;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM445588;MM445588;CC1=C(C#N)OCC1=NO;DJYUFUUFTDTJSW-UHFFFAOYSA-N;138.13;0.64;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNa_SNda";;;;;;;0.87;;-1.99;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM445589;MM445589;C=CC1=CC(=C)C(CC)=C1;NSUFHRIKJBVECW-UHFFFAOYSA-N;132.21;3.01;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC3_SC4";;;;;;;3.9;;0.47;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM445590;MM445590;CCCCNC1C(N)C1O;KGATWEXPVRISHF-UHFFFAOYSA-N;144.22;-0.55;;;;;DOPC;MDCG;27;1;"MARTINI bead: C1_SP3";;;;;;;0.94;;-1.56;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM445591;MM445591;NN=c1onc(CCO)o1;VIDYPDMWIQSOKJ-UHFFFAOYSA-N;145.12;-1.42;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP2_P1";;;;;;;-1.06;;-3.82;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM445592;MM445592;N#CC1=C(N)C(=NO)CO1;HLJFDYCZKFDPFI-UHFFFAOYSA-N;139.11;-0.46;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP1_SNda";;;;;;;0.04;;-2.73;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM445593;MM445593;C=C1C=C(C=O)C=C1CC;QZIWFEDXDFFTHI-UHFFFAOYSA-N;134.18;2.02;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC3_SNa";;;;;;;2.57;;0.45;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM445594;MM445594;CCCCOC1C(N)C1O;DWKSRPLJAFJFNI-UHFFFAOYSA-N;145.2;-0.13;;;;;DOPC;MDCG;27;1;"MARTINI bead: C1_SP3";;;;;;;0.94;;-0.99;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM445595;MM445595;NN=c1onc(CCF)o1;OVOXWNRVOLACSG-UHFFFAOYSA-N;147.11;-0.45;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP2_C5";;;;;;;0.54;;-1.09;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM445596;MM445596;C=CC1=C(C)C(=NC)NC1;KGZKFMUARRUXIS-UHFFFAOYSA-N;136.2;1.12;;;;;DOPC;MDCG;27;1;"MARTINI bead: SNd_SN0";;;;;;;1.17;;-4.03;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM445597;MM445597;C=C1C=C(C#N)C=C1CC;HAHCGRNGFNVRGM-UHFFFAOYSA-N;131.18;2.34;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC3_SN0";;;;;;;2.87;;0.37;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM445598;MM445598;CCOCOC1C(C)C1C;SLIVCDKXJLYQQW-UHFFFAOYSA-N;144.21;1.65;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_SNa";;;;;;;0.87;;-2.22;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM445599;MM445599;COCc1noc(=NN)o1;VXLXRBAEQROEOP-UHFFFAOYSA-N;145.12;-0.81;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_SP2";;;;;;;-1.06;;-3.82;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM445600;MM445600;CN=C1NCC(C=O)=C1C;NWDFOGCHKBLODL-UHFFFAOYSA-N;138.17;0.13;;;;;DOPC;MDCG;27;1;"MARTINI bead: SNd_SP2";;;;;;;-0.24;;-7.23;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM445601;MM445601;C=CC1=CC(=C)C(CN)=C1;SWFSUDIGHZZDDE-UHFFFAOYSA-N;133.19;1.55;;;;;DOPC;MDCG;27;1;"MARTINI bead: SNd_SC4";;;;;;;2.2;;-1.6;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM445602;MM445602;CCOCOC1C(C)C1N;JDHIEONHVIVJHX-UHFFFAOYSA-N;145.2;0.34;;;;;DOPC;MDCG;27;1;"MARTINI bead: Na_SP2";;;;;;;-0.24;;-5.11;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM445603;MM445603;COC(COCCF)=NN;JMEYZCUOIXCXFB-UHFFFAOYSA-N;150.15;-0.11;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda_P2";;;;;;;-0.24;;-3.31;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM445604;MM445604;CN=C1NCC(C#N)=C1C;JAFTYNRCVOUPLB-UHFFFAOYSA-N;135.17;0.46;;;;;DOPC;MDCG;27;1;"MARTINI bead: SNd_SP1";;;;;;;0.04;;-4.32;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM445605;MM445605;CCC1=CC(C=O)=CC1=O;PAXPBWMTQSQQQV-UHFFFAOYSA-N;136.15;1.03;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC5_SNa";;;;;;;1.64;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM445606;MM445606;CCOCOC1C(N)C1N;ZAJURWPNRWQNHB-UHFFFAOYSA-N;146.19;-0.97;;;;;DOPC;MDCG;27;1;"MARTINI bead: Na_SP3";;;;;;;-1.1;;-5.51;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM445607;MM445607;CCOc1noc(=NN)o1;VRZCOINHXUKPKZ-UHFFFAOYSA-N;145.12;-0.56;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_SP2";;;;;;;-1.06;;-3.82;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM445608;MM445608;C=CC1=C(C)C(NN)=NC1;JDBLFNIIWCJDMS-UHFFFAOYSA-N;137.19;0.36;;;;;DOPC;MDCG;27;1;"MARTINI bead: SC5_SP1";;;;;;;0.81;;-1.74;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM445609;MM445609;CCC1=CC(C#N)=CC1=O;CDALKGITZHCVOU-UHFFFAOYSA-N;133.15;1.36;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC5_SN0";;;;;;;1.94;;0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM445610;MM445610;CNCCCC1C(C)N1C;JMNMELPYSOFCBI-UHFFFAOYSA-N;142.25;0.69;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_SNd";;;;;;;0.87;;-5.24;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM445611;MM445611;C=CCC1=CCC(=CC)C1;ZFWGAZKYAQPKNZ-UHFFFAOYSA-N;134.22;3.23;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC3_SC3";;;;;;;4.27;;0.2;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM445612;MM445612;C=CC(F)CN=CNN=C;YSQFTGSVEDYFPB-UHFFFAOYSA-N;143.17;0.74;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4_P2";;;;;;;1.09;;-0.38;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM445613;MM445613;C=CC1=NC(=N)C(CC)=C1;GHHGXXCSSIDXOD-UHFFFAOYSA-N;134.18;1.94;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNd_SC5";;;;;;;1.64;;0.03;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM445614;MM445614;CC1C(C)C1CCCC#N;ZMUDXJFYZSUNAK-UHFFFAOYSA-N;137.23;2.58;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC5_N0";;;;;;;1.94;;0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM445615;MM445615;CC=C1CC=C(CC=O)C1;QWJYIHXJVRMABX-UHFFFAOYSA-N;136.19;2.24;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC3_SN0";;;;;;;2.87;;0.37;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM445616;MM445616;CC#CC=NNC(=N)OC;BZRFFUPHVXYQTP-UHFFFAOYSA-N;139.16;0.17;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_C4";;;;;;;1.09;;-0.38;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM445617;MM445617;C#CC1=CC(=C)C(CC)=C1;RKNLBZSYLRCAMZ-UHFFFAOYSA-N;130.19;2.45;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC3_SC5";;;;;;;3.34;;0.48;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM445618;MM445618;C=CCCCC1C(O)C1F;UZGKNGLTWUVJQV-UHFFFAOYSA-N;144.19;1.67;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP1_C1";;;;;;;2.08;;0.48;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM445619;MM445619;CC=C1CC=C(CC#N)C1;PFHOZCRCSWPJRX-UHFFFAOYSA-N;133.19;2.57;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC3_SC5";;;;;;;3.34;;0.48;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM445620;MM445620;C=NN=C(NC=CC)OC;MLSASORHVLTERM-UHFFFAOYSA-N;141.17;0.73;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nd_Na";;;;;;;0.87;;-1.88;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM445621;MM445621;C#CC1=CC(=C)C(CN)=C1;XXEVQLVPWPGJFV-UHFFFAOYSA-N;131.18;1;;;;;DOPC;MDCG;27;1;"MARTINI bead: SNd_SC5";;;;;;;1.64;;-2.07;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM445622;MM445622;C=CCCCC1C(F)C1F;LQUDCZUZIQLESD-UHFFFAOYSA-N;146.18;2.65;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNa_C1";;;;;;;2.91;;0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM445623;MM445623;C=CCC1=CCC(=CF)C1;ZMBXHEUBVYISOJ-UHFFFAOYSA-N;138.19;3.14;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC5_SC3";;;;;;;3.34;;0.48;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM445624;MM445624;C#CC#CC1CN(N=C)C1;JMCFKKWKBCZOTC-UHFFFAOYSA-N;132.17;0.17;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP1_SP1";;;;;;;-0.79;;-3.13;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM445625;MM445625;NN1C=NC(=O)CC1;QQQXODQAJPXOQI-UHFFFAOYSA-N;113.12;-0.88;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP1_SP2";;;;;;;-1.06;;-3.82;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM445626;MM445626;C=NNC(C)=NCCC;ODHGIZKRQHHRIT-UHFFFAOYSA-N;127.19;1.02;;;;;DOPC;MDCG;27;0;"MARTINI bead: C3_P1";;;;;;;1.74;;0.33;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM445627;MM445627;N#CCC1=CCC(=CF)C1;JYGPLWOPLYDTLD-UHFFFAOYSA-N;137.16;2.47;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC5_SC5";;;;;;;2.41;;0.64;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM445628;MM445628;C=NNC=NC(=CC)OC;QTJUQROLLVGIRE-UHFFFAOYSA-N;141.17;0.73;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_P2";;;;;;;0.54;;-1.09;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM445629;MM445629;C#CC1=CC(=O)C(CC)=C1;HVYLKAAADURCEP-UHFFFAOYSA-N;132.16;1.47;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC5_SC5";;;;;;;2.41;;0.64;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM445630;MM445630;CC1C(C)C1CNCC=O;LFQYNZPSOZYQOQ-UHFFFAOYSA-N;141.21;0.68;;;;;DOPC;MDCG;27;1;"MARTINI bead: SC5_P2";;;;;;;0.54;;-2.39;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM445631;MM445631;C=CCC1=CCC(=NN)C1;XKGPWWGMXKTIFV-UHFFFAOYSA-N;136.2;1.6;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNd_SC3";;;;;;;2.57;;0.53;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM445632;MM445632;CNc1ccn(C)c(=O)n1;VBPAOWSIZPGRAK-UHFFFAOYSA-N;139.16;-0.18;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNda_SP1";;;;;;;0.04;;-2.73;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM445633;MM445633;C#CC1=NC(=N)C(CC)=C1;YTVCLKZHFAGNIZ-UHFFFAOYSA-N;132.17;1.39;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNd_SN0";;;;;;;1.17;;-1.04;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM445634;MM445634;CC1C(C)C1CNCC#N;SAGBPOVJGBMKLZ-UHFFFAOYSA-N;138.21;1;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC5_P2";;;;;;;0.54;;-1.09;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM445635;MM445635;C=CCC1=CCC(=NO)C1;GMLZNZDHHJOZOR-UHFFFAOYSA-N;137.18;2.11;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNda_SC3";;;;;;;2.57;;0.44;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM445636;MM445636;C#CC1=NC(=N)C(CC)=N1;ADRJRGKDYFMYTC-UHFFFAOYSA-N;133.15;0.86;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNd_SP1";;;;;;;0.04;;-2.63;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM445637;MM445637;C#CC12CC(=O)C(=C)C1N2;SBJMQXCHWJRWFZ-UHFFFAOYSA-N;133.15;-0.14;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNa_SNd";;;;;;;0.87;;-1.88;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM445638;MM445638;C=CCNCC1C(O)C1O;FHOGFNDIXYJCIR-UHFFFAOYSA-N;143.19;-0.89;;;;;DOPC;MDCG;27;1;"MARTINI bead: SP2_Nd";;;;;;;-0.24;;-4.68;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM445639;MM445639;N#CCC1=CCC(=NO)C1;MHWVMRPIEQPTBE-UHFFFAOYSA-N;136.15;1.45;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNda_SC5";;;;;;;1.64;;0.05;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM445640;MM445640;C=CC1=CC(CC)=CC1=C;IBCGHXLJAKJCBN-UHFFFAOYSA-N;132.21;3.01;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC3_SC3";;;;;;;4.27;;0.2;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM445641;MM445641;C=Cc1nnc(NC)n1N;SQLYTSDYCAFKDK-UHFFFAOYSA-N;139.16;-0.32;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP1_SNa";;;;;;;0.04;;-2.54;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM445642;MM445642;N=CNNCC1C(N)C1N;JHDGJROQHVJMFT-UHFFFAOYSA-N;143.19;-2.03;;;;;DOPC;MDCG;27;1;"MARTINI bead: SP3_P4";;;;;;;-3.15;;-9.66;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM445643;MM445643;CC=C1CC=C(NC=N)C1;XVBZAFYXUSGANK-UHFFFAOYSA-N;136.2;1.81;;;;;DOPC;MDCG;27;1;"MARTINI bead: SC3_SNd";;;;;;;2.57;;-2.42;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM445644;MM445644;CC=NN=CNCCCF;WPGZOAMBLQKLCH-UHFFFAOYSA-N;145.18;0.97;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_P1";;;;;;;0.81;;-0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM445645;MM445645;C=CC1=CC(CN)=CC1=C;GNTZYYBKKJPKPJ-UHFFFAOYSA-N;133.19;1.55;;;;;DOPC;MDCG;27;1;"MARTINI bead: SNd_SC3";;;;;;;2.57;;-0.92;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM445646;MM445646;C=CCOCC1C(C)C1N;IFCDWBSNCKPEMS-UHFFFAOYSA-N;141.21;0.78;;;;;DOPC;MDCG;27;1;"MARTINI bead: SNd_Na";;;;;;;0.87;;-4.49;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM445647;MM445647;N=CNC1=CCC(=CF)C1;OFOWAKJVRUPVBS-UHFFFAOYSA-N;140.16;1.71;;;;;DOPC;MDCG;27;1;"MARTINI bead: SC5_SNd";;;;;;;1.64;;-3.61;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM445648;MM445648;CC=COC=NN=CNC;OLJBEJNKUQNLCE-UHFFFAOYSA-N;141.17;0.73;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_C4";;;;;;;1.09;;-0.38;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM445649;MM445649;CC(=O)CC1(C)CN1C;ZWOYVAKQMCJEBS-UHFFFAOYSA-N;127.19;0.67;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNd_P1";;;;;;;0.04;;-2.63;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM445650;MM445650;CC1C(O)C1COCC#N;LPISQLOSCPDQDU-UHFFFAOYSA-N;141.17;0.15;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNda_P1";;;;;;;0.04;;-2.73;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM445651;MM445651;N=CNC1=CCC(=NN)C1;KKZLSUJUZYBKOP-UHFFFAOYSA-N;138.17;0.18;;;;;DOPC;MDCG;27;1;"MARTINI bead: SNd_SNd";;;;;;;0.87;;-5.79;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM445652;MM445652;C=CCCCC1NC1C=O;NIJXNDJEULJNNX-UHFFFAOYSA-N;139.2;0.88;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1_SP2";;;;;;;1.8;;0.41;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM445653;MM445653;C=CC1=CC(CF)=CC1=C;SSZPQTXQDFGPJM-UHFFFAOYSA-N;136.17;2.56;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC5_SC3";;;;;;;3.34;;0.48;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM445654;MM445654;C=CCOCC1C(N)C1F;YPHDZWKTXCBGQF-UHFFFAOYSA-N;145.18;0.48;;;;;DOPC;MDCG;27;1;"MARTINI bead: SP1_Na";;;;;;;0.04;;-3.75;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM445655;MM445655;COCOCC(=NN)OC;NNDRBDYMZXKHCJ-UHFFFAOYSA-N;148.16;-0.47;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_Nda";;;;;;;-0.24;;-3.31;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM445656;MM445656;FC1C=NNC1;FIYCJERKPTWEFQ-UHFFFAOYSA-N;88.09;-0.09;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP1_SP1";;;;;;;-0.79;;-3.13;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM445657;MM445657;C=C1C=C(CC)C=C1C#N;JVGMICCSHOIGKG-UHFFFAOYSA-N;131.18;2.34;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC3_SC5";;;;;;;3.34;;0.48;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM445658;MM445658;N#CCOCC1C(F)C1F;RYJCGHPLDLYOSG-UHFFFAOYSA-N;147.12;0.83;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNa_P1";;;;;;;0.04;;-2.54;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM445659;MM445659;N=CNC1=CCC(=NO)C1;GAVKPGCUMVGTAF-UHFFFAOYSA-N;139.16;0.69;;;;;DOPC;MDCG;27;1;"MARTINI bead: SNda_SNd";;;;;;;0.87;;-5.47;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM445660;MM445660;CC#CC1C=CC(=O)O1;JLKHCCCJXUFGOB-UHFFFAOYSA-N;122.12;0.49;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC5_SNa";;;;;;;1.64;;-5.73;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM445661;MM445661;CC1CC(C)(C)CC1O;QIXDCVATINBRLV-UHFFFAOYSA-N;128.22;1.8;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC2_SNda";;;;;;;2.83;;0.57;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM445662;MM445662;CC1C(C)C1NCCC=O;GJFBZJXSVZKRQH-UHFFFAOYSA-N;141.21;0.82;;;;;DOPC;MDCG;27;1;"MARTINI bead: SNd_Na";;;;;;;0.87;;-4.31;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM445663;MM445663;C=COC1=CCC(=CC)C1;AZFWVNGASWVLBM-UHFFFAOYSA-N;136.19;2.77;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC3_SC4";;;;;;;3.9;;0.47;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM445664;MM445664;CN1CCC(=O)C1;SLPUTJFVMJPMKV-UHFFFAOYSA-N;99.13;-0.11;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNd_SP2";;;;;;;-0.24;;-3.16;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM445665;MM445665;C=C1C=C(CO)C=C1C#N;RNNXVBWXLJFPRM-UHFFFAOYSA-N;133.15;0.92;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNda_SC5";;;;;;;1.64;;0.05;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM445666;MM445666;C=CCCNC1C(O)C1O;LXRLTSARZONNLK-UHFFFAOYSA-N;143.19;-0.74;;;;;DOPC;MDCG;27;1;"MARTINI bead: SP2_Nd";;;;;;;-0.24;;-4.54;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM445667;MM445667;C=COC1=CCC(=CF)C1;QKCGTNHYLOGJCB-UHFFFAOYSA-N;140.16;2.68;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC5_SC4";;;;;;;2.97;;0.45;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM445668;MM445668;CCC1C(C)C1(O)CC;HQXZLINSJYYADH-UHFFFAOYSA-N;128.22;1.8;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_SNda";;;;;;;1.64;;0.05;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM445669;MM445669;C=C1C=C(CF)C=C1C#N;BJXLPTCJNHUTBM-UHFFFAOYSA-N;135.14;1.9;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC5_SC5";;;;;;;2.41;;0.64;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM445670;MM445670;CC1C(C)N1CCCC#N;DKSATCXELFXGKS-UHFFFAOYSA-N;138.21;1.38;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNd_P1";;;;;;;0.04;;-2.63;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM445671;MM445671;C=COC1=CCC(=NN)C1;CRZDFVSTIDFBMD-UHFFFAOYSA-N;138.17;1.14;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNd_SC4";;;;;;;2.2;;0.32;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM445672;MM445672;N=c1nnc(N)c(N)o1;BXDOIFQCWSRAQK-UHFFFAOYSA-N;127.11;-1.29;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP4_SP3";;;;;;;-3.15;;-6.87;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM445673;MM445673;C=CC1=CC(CC)=CC1=O;SOFXMJSXQJWHCU-UHFFFAOYSA-N;134.18;2.02;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC3_SNa";;;;;;;2.57;;0.45;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM445674;MM445674;C#CCCCC1C(C)C1C;QGWDAENKHORPKL-UHFFFAOYSA-N;136.24;2.69;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC5_C3";;;;;;;3.34;;0.48;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM445675;MM445675;C=COC1=CCC(=NO)C1;XRDWOJVNISPJQF-UHFFFAOYSA-N;139.15;1.65;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNda_SC4";;;;;;;2.2;;0.49;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM445676;MM445676;C=Cc1onc(NO)c1C;HPSFQNGUIQRVNN-UHFFFAOYSA-N;140.14;1.43;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNda_SN0";;;;;;;1.17;;-1.13;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM445677;MM445677;C=CC1=CC(CF)=CC1=O;YGNLXGLTCAXKMR-UHFFFAOYSA-N;138.14;1.58;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC5_SNa";;;;;;;1.64;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM445678;MM445678;C#CCCCC1C(C)C1N;CZBOSCOTZVQLQT-UHFFFAOYSA-N;137.23;1.38;;;;;DOPC;MDCG;27;1;"MARTINI bead: SNd_C3";;;;;;;2.57;;-1.39;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM445679;MM445679;C=CCC1=CNC(=NC)C1;KHYPRTSFRNXGJC-UHFFFAOYSA-N;136.2;1.47;;;;;DOPC;MDCG;27;1;"MARTINI bead: SNd_SN0";;;;;;;1.17;;-4.31;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM445680;MM445680;Cc1c(NO)noc1C#N;PEJUOHZNOQOTPT-UHFFFAOYSA-N;139.11;0.66;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNda_SN0";;;;;;;1.17;;-1.13;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM445681;MM445681;C=CC1=CC(NC)=CC1=O;IFSZSAHHTUNLIC-UHFFFAOYSA-N;135.17;0.78;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNd_SNa";;;;;;;0.87;;-1.88;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM445682;MM445682;CN=C1CC(CC=O)=CN1;ATUUOXGYAICIPD-UHFFFAOYSA-N;138.17;0.48;;;;;DOPC;MDCG;27;1;"MARTINI bead: SNd_SP1";;;;;;;0.04;;-5.86;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM445683;MM445683;C#CCCCC1C(N)C1N;BXAKKMKBQIAJKR-UHFFFAOYSA-N;138.21;0.07;;;;;DOPC;MDCG;27;1;"MARTINI bead: SP3_C3";;;;;;;0.6;;-2.85;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM445684;MM445684;N#CC1CC(CF)=NN1;ASXOAEQLBAHGEZ-UHFFFAOYSA-N;127.12;0.2;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP1_SP1";;;;;;;-0.79;;-3.13;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM445685;MM445685;C=CC1=CC(OC)=CC1=C;PIPONXZYRCUNCZ-UHFFFAOYSA-N;134.18;2.2;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNa_SC3";;;;;;;2.57;;0.45;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM445686;MM445686;CN=C1CC(CC#N)=CN1;UHUYURNTXZGUNA-UHFFFAOYSA-N;135.17;0.81;;;;;DOPC;MDCG;27;1;"MARTINI bead: SNd_SN0";;;;;;;1.17;;-4.16;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM445687;MM445687;C#CCNCC1C(C)C1C;SRAOLLPTBXHJJM-UHFFFAOYSA-N;137.23;1.11;;;;;DOPC;MDCG;27;1;"MARTINI bead: SC5_P2";;;;;;;0.54;;-3.09;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM445688;MM445688;C#CC1COC(NN)=N1;KSLCRJMIUUJUFX-UHFFFAOYSA-N;125.13;-1.16;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP2_SP1";;;;;;;-1.06;;-3.82;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM445689;MM445689;C=C1C=C(OC)C=C1C=O;STQWADFZMCSGEG-UHFFFAOYSA-N;136.15;1.21;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNa_SNa";;;;;;;0.87;;-2.22;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM445690;MM445690;CCCCOC(CF)=NN;DJHPVSJGJVVLFK-UHFFFAOYSA-N;148.18;1.04;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1_P2";;;;;;;1.8;;0.4;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM445691;MM445691;C#CCNCC1C(C)C1O;BGCXNRCYSFMMHX-UHFFFAOYSA-N;139.2;-0.16;;;;;DOPC;MDCG;27;1;"MARTINI bead: SNda_P2";;;;;;;-0.24;;-4.82;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM445692;MM445692;C=C(CC)C1NC1C=O;VSRXHHMHFOAROI-UHFFFAOYSA-N;125.17;0.49;;;;;DOPC;MDCG;27;0;"MARTINI bead: C3_SP2";;;;;;;1.46;;-0.15;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM445693;MM445693;C=C1C=C(OC)C=C1C#N;BEESSGXMTPNABF-UHFFFAOYSA-N;133.15;1.54;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNa_SC5";;;;;;;1.64;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM445694;MM445694;C=CCCOC(CF)=NN;XYDUFAOMEHZJLL-UHFFFAOYSA-N;146.17;0.82;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_C3";;;;;;;1.46;;-0.15;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM445695;MM445695;C#CCOCC1C(C)C1O;MJFRVNXHSIZRIF-UHFFFAOYSA-N;140.18;0.26;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNda_Na";;;;;;;0.87;;-1.99;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM445696;MM445696;N#Cc1onc(NO)c1N;ABNXWJDLFNRWCZ-UHFFFAOYSA-N;140.1;-0.07;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNda_SP1";;;;;;;0.04;;-2.73;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM445697;MM445697;C=CC1=CC(CC)=NC1=N;XRMGMSVVFQILIA-UHFFFAOYSA-N;134.18;1.94;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC5_SNd";;;;;;;1.64;;0.03;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM445698;MM445698;CC=COCC(=NN)OC;KSKNSCOYTMRJLG-UHFFFAOYSA-N;144.17;0.46;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_C5";;;;;;;0.81;;-0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM445699;MM445699;C#CCOCC1C(N)C1N;HBCSWUQCHNUTSR-UHFFFAOYSA-N;140.19;-1.08;;;;;DOPC;MDCG;27;1;"MARTINI bead: SP3_Na";;;;;;;-1.1;;-6.22;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM445700;MM445700;CC=C1OCC(C=O)=C1C;KRLMPFWLNRJIIF-UHFFFAOYSA-N;138.17;1.44;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC5_SP1";;;;;;;0.81;;-0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM445701;MM445701;C=CC1=CC(CN)=NC1=N;MUZRPGZJBFCZGG-UHFFFAOYSA-N;135.17;0.49;;;;;DOPC;MDCG;27;1;"MARTINI bead: SP1_SNd";;;;;;;0.04;;-4.07;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM445702;MM445702;CN=C1CC(NC=N)=CN1;DZCIUMHJVKJGAT-UHFFFAOYSA-N;138.17;0.05;;;;;DOPC;MDCG;27;1;"MARTINI bead: SNd_SP2";;;;;;;-0.24;;-6.5;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM445703;MM445703;C#CCCNC1C(C)C1C;PLSHZGBBIHRFRC-UHFFFAOYSA-N;137.23;1.25;;;;;DOPC;MDCG;27;1;"MARTINI bead: SNd_C5";;;;;;;1.64;;-2.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM445704;MM445704;CC=C1OCC(C#N)=C1C;MDMQQUZEFLVNNC-UHFFFAOYSA-N;135.17;1.76;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC5_SP1";;;;;;;0.81;;-0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM445705;MM445705;C=CC1=CC(=C)C(C=C)=C1;SQVKYMACDKSVPQ-UHFFFAOYSA-N;130.19;2.78;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC4_SC3";;;;;;;3.9;;0.47;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM445706;MM445706;N=CNC1=CNC(=NN)C1;IRXMFIMOYOETFG-UHFFFAOYSA-N;139.16;-0.71;;;;;DOPC;MDCG;27;1;"MARTINI bead: SP1_SP2";;;;;;;-1.06;;-7.09;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM445707;MM445707;C#CCCNC1C(C)C1N;WUORYRPSMLKDDI-UHFFFAOYSA-N;138.21;-0.06;;;;;DOPC;MDCG;27;1;"MARTINI bead: SNd_Nd";;;;;;;0.87;;-4.32;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM445708;MM445708;C=CC1=C(C)C(=NO)OC1;CHRHYDPQXLMOGR-UHFFFAOYSA-N;139.15;1.31;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC5_SP1";;;;;;;0.81;;-0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM445709;MM445709;C=CC1=CC(C=O)=CC1=C;RDTSZQUDAAPPHZ-UHFFFAOYSA-N;132.16;1.79;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC3_SNa";;;;;;;2.57;;0.45;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM445710;MM445710;N=CNC1=CNC(=NO)C1;MYKLSOUARWYYKW-UHFFFAOYSA-N;140.15;-0.19;;;;;DOPC;MDCG;27;1;"MARTINI bead: SP1_SP2";;;;;;;-1.06;;-7.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM445711;MM445711;C#CCCNC1C(C)C1O;RLXBIFVOSXUEHV-UHFFFAOYSA-N;139.2;-0.02;;;;;DOPC;MDCG;27;1;"MARTINI bead: SNda_Nd";;;;;;;0.87;;-3.71;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM445712;MM445712;N#CC1=C(N)C(=NO)OC1;DHBQSFOFOVLWEV-UHFFFAOYSA-N;139.11;-0.46;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP2_SP1";;;;;;;-1.06;;-3.82;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM445713;MM445713;C=CC1=CC(C#N)=CC1=C;PVHDBKZLQIYSMP-UHFFFAOYSA-N;129.16;2.12;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC3_SN0";;;;;;;2.87;;0.37;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM445714;MM445714;C=COC1=CNC(=NC)C1;IYCRJLSUPNFJLT-UHFFFAOYSA-N;138.17;1.01;;;;;DOPC;MDCG;27;1;"MARTINI bead: SNd_SNa";;;;;;;0.87;;-3.34;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM445715;MM445715;C#CCCOC1C(N)C1N;MVIGZWKWCZUSNZ-UHFFFAOYSA-N;140.19;-0.94;;;;;DOPC;MDCG;27;1;"MARTINI bead: SP3_Na";;;;;;;-1.1;;-5.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM445716;MM445716;C=Cc1[nH]oc(=NN)c1C;HLQDJBMVYKDWPI-UHFFFAOYSA-N;139.16;0.33;;;;;DOPC;MDCG;27;0;"MARTINI bead: SN0_SP2";;;;;;;0.06;;-2.21;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM445717;MM445717;C=CC1=CC(=C)C(C#N)=C1;OQQARLIYRYISIO-UHFFFAOYSA-N;129.16;2.12;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC4_SC5";;;;;;;2.97;;0.45;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM445718;MM445718;C=COC1=CNC(=NO)C1;HBWMWDVZGQJRBB-UHFFFAOYSA-N;140.14;0.77;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP1_SNa";;;;;;;0.04;;-2.54;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM445719;MM445719;C#CCNCC1C(C)N1C;OBJPMQWOBYUBEE-UHFFFAOYSA-N;138.21;-0.09;;;;;DOPC;MDCG;27;1;"MARTINI bead: SNd_P2";;;;;;;-0.24;;-4.53;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM445720;MM445720;C=Cc1[nH]oc(=NO)c1C;JNIAZPOUPZCWDF-UHFFFAOYSA-N;140.14;0.85;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNd_SP1";;;;;;;0.04;;-2.63;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM445721;MM445721;C=C1C=C(C=O)C=C1C=O;MYYOKBCWKQTNJM-UHFFFAOYSA-N;134.13;0.81;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNa_SNa";;;;;;;0.87;;-2.22;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM445722;MM445722;C=CCC1=COC(=CC)C1;IVRQKSDLBBCLMD-UHFFFAOYSA-N;136.19;2.77;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC5_SC5";;;;;;;2.41;;0.64;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM445723;MM445723;C#CCOCC1C(C)N1C;VOGSHCASRHASFN-UHFFFAOYSA-N;139.2;0.34;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_SNd";;;;;;;0.87;;-1.88;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM445724;MM445724;CCOC(C#N)=CC(=O)O;ZQTVPGRCHXFTPF-UHFFFAOYSA-N;141.13;0.51;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_P1";;;;;;;0.81;;-6.05;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM445725;MM445725;C=C1C=C(C=O)C=C1C#N;SCVNXBSQNPHSER-UHFFFAOYSA-N;131.13;1.13;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNa_SC5";;;;;;;1.64;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM445726;MM445726;CC=C1CC(CC=O)=CO1;PFRMFQWQNFEPQQ-UHFFFAOYSA-N;138.17;1.78;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC5_SNa";;;;;;;1.64;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM445727;MM445727;CC=CCCC1C(C)C1C;WJCUSOKRTCCUMT-UHFFFAOYSA-N;138.25;3.24;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1_SC5";;;;;;;3.68;;0.46;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM445728;MM445728;O=c1cc2[nH]ncoc-2n1;BAWHHDSUDIASKB-UHFFFAOYSA-N;137.1;-0.14;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP2_SP1";;;;;;;-1.06;;-9.02;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM445729;MM445729;C=C1C=C(C#N)C=C1C#N;OLJIATYLUDYVPL-UHFFFAOYSA-N;128.13;1.46;;;;;DOPC;MDCG;27;0;"MARTINI bead: SN0_SC5";;;;;;;1.94;;0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM445730;MM445730;CC=C1CC(CC#N)=CO1;TVGREMLLMOAZFJ-UHFFFAOYSA-N;135.17;2.11;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC5_SN0";;;;;;;1.94;;0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM445731;MM445731;CC1C(C)C1CCC=CF;NSIONRAWCZVNLT-UHFFFAOYSA-N;142.22;3.15;;;;;DOPC;MDCG;27;0;"MARTINI bead: SN0_C4";;;;;;;2.5;;0.44;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM445732;MM445732;C=Cc1[nH]oc(=NN)c1N;HBZJQBPSQRREOH-UHFFFAOYSA-N;140.15;-0.39;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP2_SNd";;;;;;;-0.24;;-3.16;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM445733;MM445733;C=CC1=CC(=O)C(C=C)=C1;DAOOYOVEDYRCFP-UHFFFAOYSA-N;132.16;1.79;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC4_SNa";;;;;;;2.2;;0.34;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM445734;MM445734;C=CCC1=COC(=CF)C1;HWUQYUFJKXLAMG-UHFFFAOYSA-N;140.16;2.68;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC5_SC5";;;;;;;2.41;;0.64;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM445735;MM445735;CC=CCCC1C(C)C1N;VESNFUWCAZEYFK-UHFFFAOYSA-N;139.24;1.94;;;;;DOPC;MDCG;27;1;"MARTINI bead: C1_SNd";;;;;;;2.91;;-0.44;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM445736;MM445736;C=CC1=CC(C#N)=CC1=O;WMBBPUYLEXIHQO-UHFFFAOYSA-N;131.13;1.13;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNa_SN0";;;;;;;1.17;;-1.18;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM445737;MM445737;C=Cc1[nH]oc(=NO)c1N;UIVJKGQJVSTEQA-UHFFFAOYSA-N;141.13;0.12;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNd_SP2";;;;;;;-0.24;;-3.16;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM445738;MM445738;N#CCC1=COC(=CF)C1;ZUGIXKHCSLIARK-UHFFFAOYSA-N;139.13;2.02;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC5_SN0";;;;;;;1.94;;0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM445739;MM445739;C=NN=CC(=C)C(C)=O;ODMCCXYPUWECIH-UHFFFAOYSA-N;124.14;0.82;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_N0";;;;;;;1.17;;-1.18;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM445740;MM445740;C=CC1=CC(C=C)=NC1=N;OGNZEKPSEQLBCY-UHFFFAOYSA-N;132.17;1.72;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC5_SNd";;;;;;;1.64;;0.03;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM445741;MM445741;CC(N)(C(=O)O)C(F)(F)F;JBQBFDPQDFDHEC-UHFFFAOYSA-N;157.09;0.35;;;;;DOPC;MDCG;27;0;"MARTINI bead: P4_N0";;;;;;;-0.88;;-7.43;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM445742;MM445742;COC(COC=CF)=NN;BKVJECAGRMMYRT-UHFFFAOYSA-N;148.14;0.36;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_N0";;;;;;;0.34;;-1.53;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM445743;MM445743;CC=CCCC1C(N)C1N;RULAZMTYXURUBF-UHFFFAOYSA-N;140.23;0.63;;;;;DOPC;MDCG;27;1;"MARTINI bead: C1_SP3";;;;;;;0.94;;-1.89;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM445744;MM445744;C=CC1=CC(=O)C(C=C)=N1;LMMZXMSQEYDYKK-UHFFFAOYSA-N;133.15;1.27;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC5_SNa";;;;;;;1.64;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM445745;MM445745;O=c1o[nH]nc1C#CCF;IOQFUJCGRKLLOU-UHFFFAOYSA-N;142.09;-0.32;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP1_SP2";;;;;;;-1.06;;-9.02;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM445746;MM445746;C=CCC1=COC(=NO)C1;VICGBADGFZNUSC-UHFFFAOYSA-N;139.15;1.65;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNda_SC5";;;;;;;1.64;;0.05;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM445747;MM445747;CN=CNCC1C(C)C1C;PIVHTQCGPOKEOC-UHFFFAOYSA-N;140.23;1.14;;;;;DOPC;MDCG;27;1;"MARTINI bead: P2_SN0";;;;;;;0.06;;-5.91;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM445748;MM445748;C=CC1=NC(=N)C(C=C)=N1;OGOXZUUAGAEZQQ-UHFFFAOYSA-N;133.15;1.19;;;;;DOPC;MDCG;27;0;"MARTINI bead: SN0_SNd";;;;;;;1.17;;-1.04;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM445749;MM445749;C=Cc1[nH]oc(=NN)c1O;NDQXSEMMSOYRAF-UHFFFAOYSA-N;141.13;-0.27;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP2_SNda";;;;;;;-0.24;;-3.31;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM445750;MM445750;N#CCC1=COC(=NO)C1;RLRLUBFSYJCUPL-UHFFFAOYSA-N;138.13;0.99;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNda_SN0";;;;;;;1.17;;-1.13;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM445751;MM445751;CN=CNCC1C(N)C1O;NQXBGNRNPXYBOR-UHFFFAOYSA-N;143.19;-1.45;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1_SP2";;;;;;;-1.06;;-7.45;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM445752;MM445752;C=CC1=NC(C#N)=NC1=N;YSOTUMFWVHAULP-UHFFFAOYSA-N;132.13;0.53;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNd_SP1";;;;;;;0.04;;-2.63;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM445753;MM445753;N=c1nn[nH]nc1CO;NCMMVPPAKPHWCO-UHFFFAOYSA-N;127.11;-1.83;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP3_SP2";;;;;;;-2.2;;-9.63;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM445754;MM445754;CC=C1CC(NC=N)=CO1;QELCHVISCUTNFB-UHFFFAOYSA-N;138.17;1.35;;;;;DOPC;MDCG;27;1;"MARTINI bead: SC5_SNd";;;;;;;1.64;;-2.34;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM445755;MM445755;CC=NNCC1C(C)C1N;KHDWESBSPSINIZ-UHFFFAOYSA-N;141.22;0.17;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_SNd";;;;;;;0.87;;-4.45;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM445756;MM445756;C#CC1=CC(=C)C(C=C)=C1;WPQNDWAIXBIWLW-UHFFFAOYSA-N;128.17;2.23;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC3_SC5";;;;;;;3.34;;0.48;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM445757;MM445757;COC(OC)C(C#N)=NO;SYLINTBWFFRKQG-UHFFFAOYSA-N;144.13;-0.04;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_P2";;;;;;;-1.06;;-9.02;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM445758;MM445758;N=CNC1=COC(=NN)C1;QXVMDOGCJSHXGN-UHFFFAOYSA-N;140.15;-0.28;;;;;DOPC;MDCG;27;1;"MARTINI bead: SNda_SNd";;;;;;;0.87;;-4.28;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM445759;MM445759;CC=COCC1C(C)C1C;YKHKUJQHEWAWSQ-UHFFFAOYSA-N;140.23;2.44;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_SC5";;;;;;;2.41;;0.64;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM445760;MM445760;C#CC1=CC(=C)C(C#N)=C1;GEMCLHHZIVORGW-UHFFFAOYSA-N;127.15;1.57;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC5_SC5";;;;;;;2.41;;0.64;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM445761;MM445761;C#CC1=C(C)C(=CC)CC1;RJLREHUMLYCNFU-UHFFFAOYSA-N;132.21;2.68;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC3_SC5";;;;;;;3.34;;0.48;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM445762;MM445762;C=COC1=COC(=CC)C1;JUFJHEXAUZETAA-UHFFFAOYSA-N;138.17;2.31;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC5_SNa";;;;;;;1.64;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM445763;MM445763;CC=NOCC1C(C)C1C;NBYOLIJZHYJRRV-UHFFFAOYSA-N;141.21;1.91;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_SC5";;;;;;;1.64;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM445764;MM445764;C#CC1=CC(=O)C(C=C)=C1;ZDIMPXPUBRZPDD-UHFFFAOYSA-N;130.15;1.24;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNa_SC5";;;;;;;1.64;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM445765;MM445765;C#CC1=C(C)C(=CF)CC1;BUNNUEPNRGZTDR-UHFFFAOYSA-N;136.17;2.58;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC5_SC4";;;;;;;2.97;;0.45;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM445766;MM445766;C=COC1=COC(=CF)C1;BPFDCLGACCVJHW-UHFFFAOYSA-N;142.13;2.22;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC5_SNa";;;;;;;1.64;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM445767;MM445767;CC=NOCC1C(C)C1N;UQGUGGSEGAYUGO-UHFFFAOYSA-N;142.2;0.6;;;;;DOPC;MDCG;27;1;"MARTINI bead: Na_SNd";;;;;;;0.87;;-4.48;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM445768;MM445768;C#CC1=NC(=N)C(C=C)=C1;MERYBTVGWAPZBE-UHFFFAOYSA-N;130.15;1.16;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNd_SN0";;;;;;;1.17;;-1.04;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM445769;MM445769;C#CC1=C(C)C(=NN)CC1;LCCJJQHACSYERN-UHFFFAOYSA-N;134.18;1.04;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC5_SNd";;;;;;;1.64;;0.02;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM445770;MM445770;NN=CCOC(CF)=NN;DFLSSHYMGPIBHH-UHFFFAOYSA-N;148.14;-0.81;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nd_P2";;;;;;;-0.24;;-3.16;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM445771;MM445771;CN=CNNC1C(C)C1C;FXOWNRUOJWBCTF-UHFFFAOYSA-N;141.22;0.39;;;;;DOPC;MDCG;27;1;"MARTINI bead: P3_SC5";;;;;;;-0.33;;-4.27;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM445772;MM445772;C#CC1=CC(=O)C(C=C)=N1;YCHUFADGOOPTNW-UHFFFAOYSA-N;131.13;0.71;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNa_SN0";;;;;;;1.17;;-1.18;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM445773;MM445773;C#CC1=C(C)C(=NO)CC1;CIYRWDNIHXUDSU-UHFFFAOYSA-N;135.17;1.56;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC5_SNda";;;;;;;1.64;;0.05;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM445774;MM445774;C=CNC1=NCC(=CC)C1;AKAFGDYKWOZYAW-UHFFFAOYSA-N;136.2;1.47;;;;;DOPC;MDCG;27;1;"MARTINI bead: SC4_SNd";;;;;;;2.2;;-2.26;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM445775;MM445775;CC=COCC1C(C)N1C;HFFFPALIAKTUAO-UHFFFAOYSA-N;141.21;1.24;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_SNd";;;;;;;1.64;;0.03;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM445776;MM445776;C#CC1=NC(=N)C(C=C)=N1;YVWKPOYILYJJJC-UHFFFAOYSA-N;131.14;0.64;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNd_SP1";;;;;;;0.04;;-2.63;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM445777;MM445777;C#CC1=C(C)C(=CC)CO1;OABUYTOQZFGZET-UHFFFAOYSA-N;134.18;1.87;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC5_SNa";;;;;;;1.64;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM445778;MM445778;C=CNC1=NCC(=CF)C1;YLJJCYPQXFDWFD-UHFFFAOYSA-N;140.16;1.38;;;;;DOPC;MDCG;27;1;"MARTINI bead: SNa_SNd";;;;;;;0.87;;-4.6;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM445779;MM445779;CC#CCCC1C(C)C1C;BWTPXNLCTJCISA-UHFFFAOYSA-N;136.24;2.69;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4_SN0";;;;;;;2.5;;0.44;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM445780;MM445780;C#CC1=CC(CC)=CC1=C;GOCUGTRDZRRTFE-UHFFFAOYSA-N;130.19;2.45;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC3_SC5";;;;;;;3.34;;0.48;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM445781;MM445781;C#CC1=C(C)C(=CF)CO1;RVWCLCIFVWWMLM-UHFFFAOYSA-N;138.14;1.78;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNa_SNa";;;;;;;0.87;;-2.22;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM445782;MM445782;C=CNC1=NCC(=NN)C1;DWFAPYNYIIROOD-UHFFFAOYSA-N;138.17;-0.16;;;;;DOPC;MDCG;27;1;"MARTINI bead: SP1_SNd";;;;;;;0.04;;-4.58;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM445783;MM445783;CC#CCCC1C(C)C1F;XRSFSIPMWLOFQI-UHFFFAOYSA-N;140.2;2.39;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4_SNa";;;;;;;2.2;;0.34;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM445784;MM445784;C#CC1=CC(CN)=CC1=C;SIXGQDFDSOXAMR-UHFFFAOYSA-N;131.18;1;;;;;DOPC;MDCG;27;1;"MARTINI bead: SNd_SC5";;;;;;;1.64;;-2.08;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM445785;MM445785;CCCC(O)CC(C)(C)C;ZIKNXBYJTDTRQA-UHFFFAOYSA-N;144.26;2.58;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_C3";;;;;;;3.34;;0.48;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM445786;MM445786;C=CNC1=NCC(=NO)C1;QLYVEMFSAQAHKR-UHFFFAOYSA-N;139.16;0.35;;;;;DOPC;MDCG;27;1;"MARTINI bead: SNda_SNd";;;;;;;0.87;;-3.76;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM445787;MM445787;CC#CCOC1C(C)C1N;BEGKIIMGGFLOBZ-UHFFFAOYSA-N;139.2;0.37;;;;;DOPC;MDCG;27;1;"MARTINI bead: C5_SNd";;;;;;;1.64;;-1.78;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM445788;MM445788;C#CC1=CC(CO)=CC1=C;RMHIVJPMILWYKP-UHFFFAOYSA-N;132.16;1.03;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNda_SC5";;;;;;;1.64;;0.05;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM445789;MM445789;C#CC1=C(C)C(=NC)NC1;WGEUNCJWXLAYIA-UHFFFAOYSA-N;134.18;0.57;;;;;DOPC;MDCG;27;1;"MARTINI bead: SNd_SP1";;;;;;;0.04;;-4.96;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM445790;MM445790;CCC=NOC(CC)=NN;CLYORGWSGYQLPJ-UHFFFAOYSA-N;143.19;1.08;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_Nd";;;;;;;0.87;;-1.88;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM445791;MM445791;CCC=CCC1C(C)C1C;ZTGAJUAGOGNHGG-UHFFFAOYSA-N;138.25;3.24;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1_SC5";;;;;;;3.68;;0.46;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM445792;MM445792;C#CC1=CC(CF)=CC1=C;YUFOWMIDQJWGSD-UHFFFAOYSA-N;134.15;2.01;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC5_SC5";;;;;;;2.41;;0.64;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM445793;MM445793;C=C(C)CC(C)C(C)(C)O;YMJHBTYRESAONC-UHFFFAOYSA-N;142.24;2.36;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4_C5";;;;;;;2.97;;0.45;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM445794;MM445794;CC=NN=CC(=NN)OC;AHALGULBBYVAQQ-UHFFFAOYSA-N;142.16;-0.02;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_C5";;;;;;;0.81;;-0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM445795;MM445795;CCC=CCC1C(C)C1N;VSEVSSPDJVSNEA-UHFFFAOYSA-N;139.24;1.94;;;;;DOPC;MDCG;27;1;"MARTINI bead: C1_SNd";;;;;;;2.91;;-0.43;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM445796;MM445796;C#CC1=CC(CC)=CC1=O;NFVXOGQZDIAHHT-UHFFFAOYSA-N;132.16;1.47;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC3_SNa";;;;;;;2.57;;0.45;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM445797;MM445797;C=C(C)CCC(C)(O)CC;GNNQDYSDGHDPNY-UHFFFAOYSA-N;142.24;2.5;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda_C1";;;;;;;2.91;;0.57;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM445798;MM445798;CCCC(F)C(=NN)OC;YHUWJPRTKXPQAY-UHFFFAOYSA-N;148.18;1.04;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4_P1";;;;;;;1.37;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM445799;MM445799;CNC(C#CC#N)CF;PGYHLMDAHMZVCO-UHFFFAOYSA-N;126.13;0.07;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_Na";;;;;;;-0.24;;-3.24;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM445800;MM445800;C#CC1=CC(CO)=CC1=O;OJSRPYMHBMBEAX-UHFFFAOYSA-N;134.13;0.05;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNda_SNa";;;;;;;0.87;;-1.99;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM445801;MM445801;CN=CNN=CC(C)(C)F;MJLGINUPNPGUIV-UHFFFAOYSA-N;145.18;0.97;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_C5";;;;;;;0.81;;-0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM445802;MM445802;C=CCC1=NNC(=NO)C1;JXHOCEIJPTZGRA-UHFFFAOYSA-N;139.16;0.7;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP1_SN0";;;;;;;0.34;;-1.53;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM445803;MM445803;NC1C(O)C1CC=CCF;FZIDXRWLEVUUJA-UHFFFAOYSA-N;145.18;0.22;;;;;DOPC;MDCG;27;1;"MARTINI bead: SP2_C4";;;;;;;1.09;;-2.3;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM445804;MM445804;C#CC1=CC(CF)=CC1=O;FQLFVSXYRIKGOJ-UHFFFAOYSA-N;136.13;1.02;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC5_SNa";;;;;;;1.64;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM445805;MM445805;C=CC(=C)CC(O)C(C)C;FZFGWIKYJHQOAG-UHFFFAOYSA-N;140.23;2.14;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda_C3";;;;;;;2.57;;0.44;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM445806;MM445806;N#CCC1=NNC(=NO)C1;PPZUJVZBAXFVSB-UHFFFAOYSA-N;138.13;0.04;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP1_SP1";;;;;;;-0.79;;-3.13;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM445807;MM445807;COC=CCC1C(C)C1C;KCMNHMIYDQHFEX-UHFFFAOYSA-N;140.23;2.44;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_SN0";;;;;;;1.17;;-1.18;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM445808;MM445808;C#CC1=CC(NC)=CC1=O;FCJUPDVANRPLLF-UHFFFAOYSA-N;133.15;0.23;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNd_SNa";;;;;;;0.87;;-1.88;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM445809;MM445809;C=C(C)C1(O)CC(C)C1C;UHVSTMFGJSNNIH-UHFFFAOYSA-N;140.23;1.97;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC4_SNda";;;;;;;2.2;;0.49;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM445810;MM445810;C=CCC1=NOC(=NN)C1;YKGMRCQXRLLWID-UHFFFAOYSA-N;139.16;0.61;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP1_SN0";;;;;;;0.34;;-1.53;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM445811;MM445811;CON=CCC1C(C)C1C;XKITZKNAELFDQI-UHFFFAOYSA-N;141.21;1.91;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_SC5";;;;;;;1.64;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM445812;MM445812;C#CC1=CC(OC)=CC1=C;DVMYRKWPCRDOKY-UHFFFAOYSA-N;132.16;1.65;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNa_SC5";;;;;;;1.64;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM445813;MM445813;N=c1nn[nH]cc(F)c1=N;IGTBVLNTUQUODG-UHFFFAOYSA-N;141.11;-1.1;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP2_SP2";;;;;;;-1.34;;-9.55;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM445814;MM445814;C=CCC1=NOC(=NO)C1;PSCZBAYGOFIDBW-UHFFFAOYSA-N;140.14;1.13;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP1_SN0";;;;;;;0.34;;-1.53;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM445815;MM445815;CCN=CNC1C(C)C1C;FUYCEXGFRDAJHA-UHFFFAOYSA-N;140.23;1.28;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_SC5";;;;;;;1.64;;-3.05;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM445816;MM445816;C#CC1=CC(OC)=CC1=O;UHZJMRDVAJFNKI-UHFFFAOYSA-N;134.13;0.66;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNa_SNa";;;;;;;0.87;;-2.22;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM445817;MM445817;C=NNC(=N)OC1(C)CC1;RFRBEMLNIRCEKO-UHFFFAOYSA-N;141.17;0.7;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC5_P2";;;;;;;0.54;;-1.09;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM445818;MM445818;N#CCC1=NOC(=NO)C1;PUKBUVSSORLNBH-UHFFFAOYSA-N;139.11;0.46;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP1_SP1";;;;;;;-0.79;;-3.13;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM445819;MM445819;CCC=NNC1C(C)C1C;LMYYAHHRWSSBMY-UHFFFAOYSA-N;140.23;1.63;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nd_SC5";;;;;;;1.64;;0.02;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM445820;MM445820;C#CC1=CC(CC)=NC1=N;VLGLPUYJQMHCNZ-UHFFFAOYSA-N;132.17;1.39;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC5_SNd";;;;;;;1.64;;0.02;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM445821;MM445821;C=NNC(=N)OCC=NN;FWZDFPNDQLAWKB-UHFFFAOYSA-N;143.15;-0.91;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nd_P2";;;;;;;-0.24;;-3.16;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM445822;MM445822;C=COC1=NOC(=NN)C1;GBEWPNHQHJWLTJ-UHFFFAOYSA-N;141.13;0.15;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP1_SNa";;;;;;;0.04;;-2.54;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM445823;MM445823;O=CC1(C=O)C=NNC1;IMFMHRDXGHATQA-UHFFFAOYSA-N;126.12;-1.04;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP1_SP1";;;;;;;-0.79;;-3.13;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM445824;MM445824;C#CC1=CC(CN)=NC1=N;WJGSDQSMGNSRAN-UHFFFAOYSA-N;133.15;-0.06;;;;;DOPC;MDCG;27;1;"MARTINI bead: SP1_SNd";;;;;;;0.04;;-4.07;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM445825;MM445825;C=NOCCC(=O)C(C)C;FXFNICNEDVXHGY-UHFFFAOYSA-N;143.19;1.23;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_Na";;;;;;;0.87;;-2.22;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM445826;MM445826;C=CCC1=CCC(=NC)N1;XAHUKZRWJJBSKJ-UHFFFAOYSA-N;136.2;1.47;;;;;DOPC;MDCG;27;1;"MARTINI bead: SN0_SC5";;;;;;;1.94;;-1.94;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM445827;MM445827;CN=CNN=CCCF;DRILBVDRZBNAGV-UHFFFAOYSA-N;131.15;0.58;;;;;DOPC;MDCG;27;0;"MARTINI bead: N0_P1";;;;;;;0.34;;-1.53;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM445828;MM445828;C#CC1=CC(CF)=NC1=N;PUHXKHXZODAIPC-UHFFFAOYSA-N;136.13;0.95;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNa_SNd";;;;;;;0.87;;-1.88;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM445829;MM445829;C#Cc1onc(NO)c1C;KCNLCDFZADLCBE-UHFFFAOYSA-N;138.13;0.77;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNda_SN0";;;;;;;1.17;;-1.13;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM445830;MM445830;CN=C1CC=C(CC#N)N1;RCPWFNNWEODUGW-UHFFFAOYSA-N;135.17;0.81;;;;;DOPC;MDCG;27;1;"MARTINI bead: SN0_SNd";;;;;;;1.17;;-4.07;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM445831;MM445831;COC=NNC1C(C)C1N;BCINFXDALBSLLE-UHFFFAOYSA-N;143.19;-0.49;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1_SNd";;;;;;;0.04;;-3.79;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM445832;MM445832;CC(C)C(C(C)C)C(C)O;PVYNLEHMDYHZEN-UHFFFAOYSA-N;144.26;2.3;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1_P1";;;;;;;2.08;;0.48;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM445833;MM445833;C#CC1=NC(CC)=NC1=N;GPSZPPNEZNLRCY-UHFFFAOYSA-N;133.15;0.86;;;;;DOPC;MDCG;27;0;"MARTINI bead: SN0_SP1";;;;;;;0.34;;-1.53;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM445834;MM445834;COC(=NN)C(F)CCF;FDIULVVDIDDNKI-UHFFFAOYSA-N;152.14;0.6;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_C5";;;;;;;0.81;;-0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM445835;MM445835;CC=CN=CNN=CC;GVJNAFLKAYTJCV-UHFFFAOYSA-N;125.18;1.14;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_Nd";;;;;;;1.64;;0.03;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM445836;MM445836;C=NNC(=N)OC1CC1C;KQLPUESFRJFRNA-UHFFFAOYSA-N;141.17;0.55;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC5_P2";;;;;;;0.54;;-1.09;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM445837;MM445837;C#CC1=CC(C=C)=CC1=C;UAMBJQGOIGHYCE-UHFFFAOYSA-N;128.17;2.23;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC4_SC5";;;;;;;2.97;;0.45;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM445838;MM445838;C=COC(C)C(=NN)OC;NBORVAXSFHHLSO-UHFFFAOYSA-N;144.17;0.45;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_C5";;;;;;;0.81;;-0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM445839;MM445839;CC(C)NN=CC(F)(F)F;VIASTRUDDNKMIV-UHFFFAOYSA-N;154.14;1.53;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nd_N0";;;;;;;1.17;;-1.04;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM445840;MM445840;C#Cc1onc(NO)c1N;SQIMGBUSQZDTBQ-UHFFFAOYSA-N;139.11;0.04;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNda_SNd";;;;;;;0.87;;-1.92;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM445841;MM445841;C#CC1=CC(C=O)=CC1=C;KROSFVIDPCFFSP-UHFFFAOYSA-N;130.15;1.24;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNa_SC5";;;;;;;1.64;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM445842;MM445842;CN=C1CC=C(NC=N)N1;ZETVCLWQOIDYSW-UHFFFAOYSA-N;138.17;0.05;;;;;DOPC;MDCG;27;1;"MARTINI bead: SN0_SP1";;;;;;;0.34;;-5.42;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM445843;MM445843;NCC=NOC1C(N)C1F;YMJFIMOSTJPFIQ-UHFFFAOYSA-N;147.15;-1;;;;;DOPC;MDCG;27;1;"MARTINI bead: P3_SP1";;;;;;;-1.93;;-6.14;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM445844;MM445844;C#CC1=C(C)C(=CC)OC1;YOPZJEKXMIELHJ-UHFFFAOYSA-N;134.18;1.87;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC5_SN0";;;;;;;1.94;;0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM445845;MM445845;C#CC1=CC(C#N)=CC1=C;AWAGVUFNAXPQSE-UHFFFAOYSA-N;127.15;1.57;;;;;DOPC;MDCG;27;0;"MARTINI bead: SN0_SC5";;;;;;;1.94;;0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM445846;MM445846;N=CNC1=CCC(=NN)N1;HSGJGJASVUHZMU-UHFFFAOYSA-N;139.16;-0.71;;;;;DOPC;MDCG;27;1;"MARTINI bead: SP1_SP1";;;;;;;-0.79;;-6.98;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM445847;MM445847;CC1C(C)C1CC=CC#N;WCLQPKSPMIJZDR-UHFFFAOYSA-N;135.21;2.36;;;;;DOPC;MDCG;27;0;"MARTINI bead: SN0_N0";;;;;;;1.47;;-0.05;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM445848;MM445848;CNC(C#N)CCC(C)=O;RRIOKZFJTVUDDW-UHFFFAOYSA-N;140.19;0.47;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_Na";;;;;;;-0.24;;-3.24;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM445849;MM445849;C#CC1=CC(C=C)=CC1=O;AUCMVHOTTCIRBI-UHFFFAOYSA-N;130.15;1.24;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC4_SNa";;;;;;;2.2;;0.34;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM445850;MM445850;N=CNC1=CCC(=NO)N1;YKCFXHGPRJVKKB-UHFFFAOYSA-N;140.15;-0.19;;;;;DOPC;MDCG;27;1;"MARTINI bead: SP1_SP1";;;;;;;-0.79;;-6.89;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM445851;MM445851;O=CC=CCC1C(O)C1O;GPGHELMLAMJCAI-UHFFFAOYSA-N;142.15;-0.52;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP2_Na";;;;;;;-0.24;;-3.24;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM445852;MM445852;C#CC1=C(C)C(=NO)OC1;QMEZPDPCSALAFD-UHFFFAOYSA-N;137.14;0.75;;;;;DOPC;MDCG;27;0;"MARTINI bead: SN0_SP1";;;;;;;0.34;;-1.53;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM445853;MM445853;C#CC1=CC(C#N)=CC1=O;VXURUFOYIMPFJT-UHFFFAOYSA-N;129.12;0.58;;;;;DOPC;MDCG;27;0;"MARTINI bead: SN0_SNa";;;;;;;1.17;;-1.18;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM445854;MM445854;C=COC1=CCC(=NC)N1;RSVIBONYJYJHSB-UHFFFAOYSA-N;138.17;1.01;;;;;DOPC;MDCG;27;1;"MARTINI bead: SNd_SNa";;;;;;;0.87;;-3.22;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM445855;MM445855;N#CC=CCC1C(O)C1O;OBYNCZYVYGOHQK-UHFFFAOYSA-N;139.15;-0.19;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP2_N0";;;;;;;0.06;;-2.21;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM445856;MM445856;C#Cc1[nH]oc(=NN)c1C;LSRKTXWBTOMAGK-UHFFFAOYSA-N;137.14;-0.33;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNd_SP2";;;;;;;-0.24;;-3.16;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM445857;MM445857;C#CC1=CC(C=C)=NC1=N;ZCUAWINUUIEKII-UHFFFAOYSA-N;130.15;1.16;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC5_SNd";;;;;;;1.64;;0.02;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM445858;MM445858;C=COC1=CCC(=NO)N1;HYGGHZOMAMAVMR-UHFFFAOYSA-N;140.14;0.77;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP1_SNda";;;;;;;0.04;;-2.73;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM445859;MM445859;N#CC=CCC1C(O)C1F;DXQRNEZHOMHCGF-UHFFFAOYSA-N;141.15;0.79;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP1_N0";;;;;;;0.34;;-1.53;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM445860;MM445860;C#Cc1[nH]oc(=NN)c1N;NAXCTCUMFLPTRE-UHFFFAOYSA-N;138.13;-1.05;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP2_SNd";;;;;;;-0.24;;-3.16;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM445861;MM445861;C#CC1=CC(C#N)=NC1=N;IFSHJUASIGHZHK-UHFFFAOYSA-N;129.12;0.5;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP1_SNd";;;;;;;0.04;;-2.63;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM445862;MM445862;C=CCc1c[nH]c(=NC)[nH]1;AXXMVSMICPTOQQ-UHFFFAOYSA-N;137.19;0.6;;;;;DOPC;MDCG;27;1;"MARTINI bead: SP1_SNd";;;;;;;0.04;;-6.61;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM445863;MM445863;C=NN=CCC1C(C)C1C;PAFIQAVDWCXAIR-UHFFFAOYSA-N;138.21;1.96;;;;;DOPC;MDCG;27;0;"MARTINI bead: SN0_N0";;;;;;;1.47;;-0.05;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM445864;MM445864;C#Cc1[nH]oc(=NO)c1N;CBDUXHRZXWSMPK-UHFFFAOYSA-N;139.11;-0.54;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNd_SP2";;;;;;;-0.24;;-3.16;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM445865;MM445865;C#CC1=NC(C=C)=NC1=N;XXWQHRADSLYAMW-UHFFFAOYSA-N;131.14;0.64;;;;;DOPC;MDCG;27;0;"MARTINI bead: SN0_SP1";;;;;;;0.34;;-1.53;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM445866;MM445866;CN=c1[nH]cc(CC#N)[nH]1;UWPCXPAHNQTBKF-UHFFFAOYSA-N;136.16;-0.06;;;;;DOPC;MDCG;27;1;"MARTINI bead: SP1_SNd";;;;;;;0.04;;-5.32;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM445867;MM445867;CC1C(C)C1NC=CC#N;HHXNLRLXRCGTJE-UHFFFAOYSA-N;136.2;1.27;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC5_P1";;;;;;;0.81;;-0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM445868;MM445868;CCC1=C(C)C(CC)C=C1;WPSSKGVDFLIWMW-UHFFFAOYSA-N;136.24;3.31;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC3_SC1";;;;;;;4.61;;0.31;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM445869;MM445869;C#CC1=CC(=C)C(C#C)=C1;DAPOOWKEFXKWSK-UHFFFAOYSA-N;126.16;1.68;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC5_SC5";;;;;;;2.41;;0.64;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM445870;MM445870;C=CCc1c[nH]c(=NN)[nH]1;NRNWTFGGGHRVCJ-UHFFFAOYSA-N;138.17;-0.15;;;;;DOPC;MDCG;27;1;"MARTINI bead: SP2_SNd";;;;;;;-0.24;;-5.67;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM445871;MM445871;C=CC=NNC1C(C)C1C;MEDPYBYTIFUEJT-UHFFFAOYSA-N;138.21;1.4;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC5_Nd";;;;;;;1.64;;0.02;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM445872;MM445872;CCC1C=CC(CN)=C1C;ATGOMSPJLJUPIM-UHFFFAOYSA-N;137.23;1.86;;;;;DOPC;MDCG;27;1;"MARTINI bead: SC3_SNd";;;;;;;2.57;;-0.92;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM445873;MM445873;C#CC1=CC(=O)C(C#C)=C1;GOZBXEXUXYKRRB-UHFFFAOYSA-N;128.13;0.69;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC5_SNa";;;;;;;1.64;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM445874;MM445874;C=C(C#CC)C(=NN)OC;FOMYPWYBUVICHJ-UHFFFAOYSA-N;138.17;0.48;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_C4";;;;;;;1.37;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM445875;MM445875;CCCC(C)(C)C(O)CC;MYVAXQWABXTAPD-UHFFFAOYSA-N;144.26;2.58;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1_Nda";;;;;;;2.91;;0.57;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM445876;MM445876;CCC1C=CC(CO)=C1C;JDXNRSMYLRALOJ-UHFFFAOYSA-N;138.21;1.89;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC3_SNda";;;;;;;2.57;;0.44;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM445877;MM445877;C#CC1=CC(C#C)=NC1=N;JODQTPZTHVQSRX-UHFFFAOYSA-N;128.13;0.61;;;;;DOPC;MDCG;27;0;"MARTINI bead: SN0_SNd";;;;;;;1.17;;-1.04;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM445878;MM445878;CN=c1[nH]cc(NC=N)[nH]1;PWMZGFKZRMSDHP-UHFFFAOYSA-N;139.16;-0.11;;;;;DOPC;MDCG;27;1;"MARTINI bead: SP1_SP2";;;;;;;-1.06;;-7.44;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM445879;MM445879;C=CC=COC1C(N)C1N;FZCKWJIUIVYRBD-UHFFFAOYSA-N;140.19;-0.26;;;;;DOPC;MDCG;27;1;"MARTINI bead: SP3_C4";;;;;;;0.23;;-2.33;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM445880;MM445880;CCC1=C(C)C(CN)C=C1;FPDHOPSDWCZYMG-UHFFFAOYSA-N;137.23;1.86;;;;;DOPC;MDCG;27;1;"MARTINI bead: SC1_SNd";;;;;;;2.91;;-0.5;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM445881;MM445881;C#CC1=NC(=N)C(C#C)=N1;OVMPUQCUSNYTNS-UHFFFAOYSA-N;129.12;0.08;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP1_SP1";;;;;;;-0.79;;-3.13;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM445882;MM445882;N=CNc1c[nH]c(=NN)[nH]1;HRSCSZPNKIQEDO-UHFFFAOYSA-N;140.15;-0.86;;;;;DOPC;MDCG;27;1;"MARTINI bead: SP2_SP2";;;;;;;-1.34;;-7.82;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM445883;MM445883;CC1C(CC=CC#N)N1C;JEFZQBVINOEVHG-UHFFFAOYSA-N;136.2;1.16;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNd_N0";;;;;;;1.17;;-1.04;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM445884;MM445884;CC1=C(CN)C=CC1CN;GKQFBMNYTBTXQK-UHFFFAOYSA-N;138.21;0.41;;;;;DOPC;MDCG;27;1;"MARTINI bead: SNd_SNd";;;;;;;0.87;;-4.96;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM445885;MM445885;CCc1cn(CC)cc1C;IZCGOSXVGPBAIL-UHFFFAOYSA-N;137.23;2.38;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC4_SC5";;;;;;;2.97;;0.45;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM445886;MM445886;C=CCc1coc(=NN)[nH]1;BAQISAKGUYQJRP-UHFFFAOYSA-N;139.16;0.11;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP2_SNd";;;;;;;-0.24;;-3.16;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM445887;MM445887;C=NN=CCC1C(C)N1C;VDISDVQTZINTFF-UHFFFAOYSA-N;139.2;0.77;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNd_C5";;;;;;;1.64;;0.03;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM445888;MM445888;CC1=C(CO)C=CC1CN;RZWJHYQNSWIWQI-UHFFFAOYSA-N;139.2;0.44;;;;;DOPC;MDCG;27;1;"MARTINI bead: SNda_SNd";;;;;;;0.87;;-4.65;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM445889;MM445889;CCc1cn(NC)cc1C;RUAMAIGXKHIJJK-UHFFFAOYSA-N;138.21;1.53;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC4_SNd";;;;;;;2.2;;0.32;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM445890;MM445890;N#CCOC=CC(=O)O;ZULDQYKFVWIMRH-UHFFFAOYSA-N;127.1;0.12;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_Na";;;;;;;0.04;;-7.73;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM445891;MM445891;CC1C(C)N1CC=CC=O;MZQLKFMHDPMSNN-UHFFFAOYSA-N;139.2;0.83;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNd_Na";;;;;;;0.87;;-1.88;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM445892;MM445892;CCC1=C(C)C(CO)C=C1;CBPPDJYSJXEFDC-UHFFFAOYSA-N;138.21;1.89;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC1_SNda";;;;;;;2.91;;0.57;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM445893;MM445893;CCc1cn(OC)cc1C;CHGXVMZYASSAGQ-UHFFFAOYSA-N;139.2;1.42;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC4_SNa";;;;;;;2.2;;0.34;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM445894;MM445894;CN=c1[nH]c(NC=N)co1;UXERZWSCIQHQHU-UHFFFAOYSA-N;140.15;0.16;;;;;DOPC;MDCG;27;1;"MARTINI bead: SP1_SP2";;;;;;;-1.06;;-6.16;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM445895;MM445895;CC1C(C)N1N=CNC=N;WAGPTCFOLCRVIH-UHFFFAOYSA-N;140.19;0.22;;;;;DOPC;MDCG;27;1;"MARTINI bead: SP1_P4";;;;;;;-2.01;;-6.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM445896;MM445896;CCC1=C(C)C(CF)C=C1;NFMCISICFYFECX-UHFFFAOYSA-N;140.2;2.87;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC1_SC5";;;;;;;3.68;;0.46;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM445897;MM445897;CCc1nn(CC)cc1C;RPGZDHXMEMIIHT-UHFFFAOYSA-N;138.21;1.77;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC5_SNa";;;;;;;1.64;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM445898;MM445898;C=CCC1=NCC(=CC)N1;VDNBETLYHHDEFA-UHFFFAOYSA-N;136.2;1.47;;;;;DOPC;MDCG;27;1;"MARTINI bead: SNd_SN0";;;;;;;1.17;;-2.85;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM445899;MM445899;CC1C(C)N1N=CNC=O;FAACBGPBXGFBHA-UHFFFAOYSA-N;141.17;-0.23;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP1_P4";;;;;;;-2.01;;-5.13;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM445900;MM445900;CCC1C=CC(OC)=C1C;SAPSSHXPKIIPAK-UHFFFAOYSA-N;138.21;2.5;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC3_SC4";;;;;;;3.9;;0.47;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM445901;MM445901;C=CC1C=C(C)C(CC)=C1;MKEHDOGSUIBFPX-UHFFFAOYSA-N;134.22;3.08;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC1_SC4";;;;;;;4.24;;0.42;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM445902;MM445902;C=NN=C(C)C(=NN)OC;PRQQEQSRCMFSCJ-UHFFFAOYSA-N;142.16;-0.02;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_C5";;;;;;;0.81;;-0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM445903;MM445903;C=C(F)CC(=N)NN=CC;VTBJZDKNDRAMBE-UHFFFAOYSA-N;143.17;1.43;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nd_C5";;;;;;;1.64;;0.03;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM445904;MM445904;COC1=C(C)C(CN)C=C1;CSUWLQZABZFXBD-UHFFFAOYSA-N;139.2;1.05;;;;;DOPC;MDCG;27;1;"MARTINI bead: SC4_SNd";;;;;;;2.2;;-2.14;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM445905;MM445905;C=Cn1cc(C)c(CC)c1;CUHBOZMDKSFFMM-UHFFFAOYSA-N;135.21;2.46;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC4_SN0";;;;;;;2.5;;0.44;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM445906;MM445906;NN=c1ccc(=O)n(N)o1;GYESPKNCVTWRAJ-UHFFFAOYSA-N;142.12;-2.07;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP1_SP2";;;;;;;-1.06;;-3.82;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM445907;MM445907;C#CC=CCC1C(C)C1C;KKHIMYPUDMNXTK-UHFFFAOYSA-N;134.22;2.47;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC5_C4";;;;;;;2.97;;0.45;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM445908;MM445908;COC1=C(C)C(CO)C=C1;XLSLOLRZTNSJKO-UHFFFAOYSA-N;140.18;1.09;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC4_SNda";;;;;;;2.2;;0.49;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM445909;MM445909;C=CC1=CC(CN)C=C1C;AGHGELBOYPCWJN-UHFFFAOYSA-N;135.21;1.63;;;;;DOPC;MDCG;27;1;"MARTINI bead: SNd_SC3";;;;;;;2.57;;-1.45;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM445910;MM445910;CC1=C(C)OC(=NN)CO1;LRCOHEIXQWOOTA-UHFFFAOYSA-N;142.16;0.56;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNa_SP1";;;;;;;0.04;;-2.54;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM445911;MM445911;C#CC=CCC1C(C)C1N;PXNOAVUVHAYVQA-UHFFFAOYSA-N;135.21;1.16;;;;;DOPC;MDCG;27;1;"MARTINI bead: SNd_C4";;;;;;;2.2;;-2.08;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM445912;MM445912;CCC1=C(C)C(NC)C=C1;LREMSFBYOMYNAA-UHFFFAOYSA-N;137.23;1.87;;;;;DOPC;MDCG;27;1;"MARTINI bead: SC1_SNd";;;;;;;2.91;;0.28;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM445913;MM445913;C=CC1=CC(CO)C=C1C;MLGLTBVUGMKFDH-UHFFFAOYSA-N;136.19;1.67;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNda_SC3";;;;;;;2.57;;0.44;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM445914;MM445914;CCc1cc(=NN)on1C;MJLNUONNUSIKBU-UHFFFAOYSA-N;141.17;-0.05;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC5_SP2";;;;;;;0.54;;-1.09;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM445915;MM445915;C#CC=CCC1C(C)C1F;LMODTGCKFCQFNX-UHFFFAOYSA-N;138.19;2.17;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNa_C4";;;;;;;2.2;;0.34;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM445916;MM445916;CNC1C=CC(CN)=C1C;QLZJBFMZYIKZSO-UHFFFAOYSA-N;138.21;0.42;;;;;DOPC;MDCG;27;1;"MARTINI bead: SNd_SNd";;;;;;;0.87;;-4.43;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM445917;MM445917;CC1=CC(CO)C=C1C#N;MAVQFRDIXWPPJP-UHFFFAOYSA-N;135.17;1;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNda_SN0";;;;;;;1.17;;-1.13;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM445918;MM445918;N#CCC1=NCC(=NO)N1;PEDZWQZGFROVRD-UHFFFAOYSA-N;138.13;-0.31;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP2_SP1";;;;;;;-1.06;;-3.82;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM445919;MM445919;C#CC=CCC1C(N)C1N;GNLZFWRMZZESIZ-UHFFFAOYSA-N;136.2;-0.15;;;;;DOPC;MDCG;27;1;"MARTINI bead: SP3_C4";;;;;;;0.23;;-3.11;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM445920;MM445920;CNC1C=CC(CF)=C1C;ZPCMFECXFWMMMP-UHFFFAOYSA-N;141.19;1.43;;;;;DOPC;MDCG;27;1;"MARTINI bead: SNd_SC4";;;;;;;2.2;;-1.14;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM445921;MM445921;C=Cc1cn(CC)cc1C;WPUMKWGGWYXQFK-UHFFFAOYSA-N;135.21;2.46;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC5_SC5";;;;;;;2.41;;0.64;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM445922;MM445922;C=CNC1=NCC(=CC)N1;JAKNFISDJKKMEM-UHFFFAOYSA-N;137.19;0.58;;;;;DOPC;MDCG;27;1;"MARTINI bead: SNd_SP1";;;;;;;0.04;;-6.37;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM445923;MM445923;C#CC=CCC1C(N)C1O;BLNAJDXKLMBAEU-UHFFFAOYSA-N;137.18;-0.12;;;;;DOPC;MDCG;27;1;"MARTINI bead: SP2_C4";;;;;;;1.09;;-2.3;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM445924;MM445924;CNC1C=CC(OC)=C1C;HVWLAFXLTNZUQR-UHFFFAOYSA-N;139.2;1.06;;;;;DOPC;MDCG;27;1;"MARTINI bead: SNd_SC4";;;;;;;2.2;;-0.91;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM445925;MM445925;C=Cc1cn(NC)cc1C;NBPDATMWTUWXJA-UHFFFAOYSA-N;136.2;1.61;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNd_SC5";;;;;;;1.64;;0.02;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM445926;MM445926;CC=C1CN=C(NC=N)N1;XLSLEKYHQQYXKX-UHFFFAOYSA-N;138.17;0.05;;;;;DOPC;MDCG;27;1;"MARTINI bead: SN0_SP2";;;;;;;0.06;;-4.93;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM445927;MM445927;C#CC=CCC1C(O)C1O;LOMNKXVPKRPOGA-UHFFFAOYSA-N;138.17;-0.08;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP2_C4";;;;;;;1.09;;-0.38;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM445928;MM445928;CCC1=C(C)C(OC)C=C1;HOSBGCPQHJXPJI-UHFFFAOYSA-N;138.21;2.3;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC1_SNa";;;;;;;2.91;;0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM445929;MM445929;C=Cc1cn(OC)cc1C;XZKIZYKYTJMPSK-UHFFFAOYSA-N;137.18;1.5;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNa_SC5";;;;;;;1.64;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM445930;MM445930;C=CNC1=NCC(=CF)N1;WYBFUCGVPRIVTB-UHFFFAOYSA-N;141.15;0.49;;;;;DOPC;MDCG;27;1;"MARTINI bead: SNda_SP1";;;;;;;0.04;;-5.19;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM445931;MM445931;C=NNC1=NC(C)(C)C=C1;XXRKGGREEJOPME-UHFFFAOYSA-N;137.19;0.94;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC5_SNd";;;;;;;1.64;;0.02;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM445932;MM445932;COC1C=CC(CN)=C1C;ZPYQYONOJLRBTC-UHFFFAOYSA-N;139.2;0.85;;;;;DOPC;MDCG;27;1;"MARTINI bead: SNa_SNd";;;;;;;0.87;;-4.08;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM445933;MM445933;C=Cc1nn(CC)cc1C;RVANERQLUODVHX-UHFFFAOYSA-N;136.2;1.85;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNa_SN0";;;;;;;1.17;;-1.18;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM445934;MM445934;C=CNC1=NCC(=NC)N1;FDERTQTZRRCKRM-UHFFFAOYSA-N;138.17;-0.29;;;;;DOPC;MDCG;27;1;"MARTINI bead: SP1_SP1";;;;;;;-0.79;;-5.51;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM445935;MM445935;C#CC=COC1C(C)C1F;MRTROJDFBYMYNT-UHFFFAOYSA-N;140.16;1.51;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNa_N0";;;;;;;1.17;;-1.18;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM445936;MM445936;C=Cc1nn(NC)cc1C;VUENNINKSNZJET-UHFFFAOYSA-N;137.19;1.01;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP1_SN0";;;;;;;0.34;;-1.53;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM445937;MM445937;CCc1ccn(CC)c1C;JOWPADBROWXRQK-UHFFFAOYSA-N;137.23;2.38;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC5_SC4";;;;;;;2.97;;0.45;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM445938;MM445938;C=CNC1=NCC(=NN)N1;BDUMEYIMMOOHQE-UHFFFAOYSA-N;139.16;-1.05;;;;;DOPC;MDCG;27;1;"MARTINI bead: SP2_SP1";;;;;;;-1.06;;-5.75;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM445939;MM445939;C#CC=COC1C(N)C1O;ODSFQEDLHVYANC-UHFFFAOYSA-N;139.15;-0.78;;;;;DOPC;MDCG;27;1;"MARTINI bead: SP2_N0";;;;;;;0.06;;-3.39;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM445940;MM445940;C=Cc1nn(OC)cc1C;LCYHCYMCPSKACU-UHFFFAOYSA-N;138.17;0.89;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNa_SN0";;;;;;;1.17;;-1.18;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM445941;MM445941;CCn1ccc(CN)c1C;JCJYFTJZZUJVGA-UHFFFAOYSA-N;138.21;1.28;;;;;DOPC;MDCG;27;1;"MARTINI bead: SC4_SP1";;;;;;;1.37;;-1.85;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM445942;MM445942;C=CNC1=NCC(=NO)N1;YKPQNQPSQMFGOO-UHFFFAOYSA-N;140.15;-0.53;;;;;DOPC;MDCG;27;1;"MARTINI bead: SP2_SP1";;;;;;;-1.06;;-5.19;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM445943;MM445943;C#CC=NOC1C(C)C1C;LERIEVYBEPJVFR-UHFFFAOYSA-N;137.18;1.28;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC5_Na";;;;;;;1.64;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM445944;MM445944;C=CC1=CC(C=C)C=C1C;KSAXHYGRVYNAHY-UHFFFAOYSA-N;132.21;2.86;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC4_SC3";;;;;;;3.9;;0.47;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM445945;MM445945;CCn1ccc(CO)c1C;FHHXVDZHCNVLLH-UHFFFAOYSA-N;139.2;1.31;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC4_SNda";;;;;;;2.2;;0.49;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM445946;MM445946;C=COC(=NO)C(F)F;JZGUGUYDSKFXMK-UHFFFAOYSA-N;137.09;1.2;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda_N0";;;;;;;1.17;;-6.34;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM445947;MM445947;C#CC=NOC1C(C)C1N;UYWUUBMGBOIGMA-UHFFFAOYSA-N;138.17;-0.03;;;;;DOPC;MDCG;27;1;"MARTINI bead: SNd_Na";;;;;;;0.87;;-3.17;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM445948;MM445948;C=Cc1cn(C=C)cc1C;RGFQKYLGHYOURJ-UHFFFAOYSA-N;133.19;2.54;;;;;DOPC;MDCG;27;0;"MARTINI bead: SN0_SC5";;;;;;;1.94;;0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM445949;MM445949;CCn1ccc(CF)c1C;VAOILVXVEJGSMJ-UHFFFAOYSA-N;141.19;2.29;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC4_SNa";;;;;;;2.2;;0.34;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM445950;MM445950;N#CC(O)C(O)CC(=O)O;OFNRKFGZGVFPAN-UHFFFAOYSA-N;145.11;-1.29;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_P4";;;;;;;-2.01;;-9.07;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM445951;MM445951;C#CC=CCN1C(C)C1C;JNLZUKNCGHNUHC-UHFFFAOYSA-N;135.21;1.27;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNd_N0";;;;;;;1.17;;-1.04;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM445952;MM445952;C=Cc1cn(C=N)cc1C;LRJFXHBUECBDSD-UHFFFAOYSA-N;134.18;1.89;;;;;DOPC;MDCG;27;1;"MARTINI bead: SNd_SC5";;;;;;;1.64;;-3.89;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM445953;MM445953;CCc1ccn(CC)c1N;VOSDKAIWEMHORN-UHFFFAOYSA-N;138.21;1.65;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC5_SNd";;;;;;;1.64;;0.02;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM445954;MM445954;O=CNCC(=NO)C(F)F;TYFZKPZGCOIQDQ-UHFFFAOYSA-N;152.1;-0.17;;;;;DOPC;MDCG;27;0;"MARTINI bead: P3_N0";;;;;;;-0.8;;-7.36;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM445955;MM445955;CCC#CCC1C(C)C1C;KJMIHYTXVARGRF-UHFFFAOYSA-N;136.24;2.69;;;;;DOPC;MDCG;27;0;"MARTINI bead: C3_SC5";;;;;;;3.34;;0.48;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM445956;MM445956;Cc1cn(C=N)cc1C#N;HPAAVGIREVFBHK-UHFFFAOYSA-N;133.15;1.12;;;;;DOPC;MDCG;27;1;"MARTINI bead: SNd_SN0";;;;;;;1.17;;-3.19;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM445957;MM445957;CCn1ccc(CN)c1N;VOPOTBZDGQBZTJ-UHFFFAOYSA-N;139.2;0.55;;;;;DOPC;MDCG;27;1;"MARTINI bead: SNd_SP1";;;;;;;0.04;;-4.12;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM445958;MM445958;N#CCN1CC1C(=O)O;CNAQTCLNOQKHAX-UHFFFAOYSA-N;126.12;-0.72;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_SP1";;;;;;;-0.79;;-8.32;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM445959;MM445959;CC1C(C)C1CC#CCN;YYKJRBWLXQVJQT-UHFFFAOYSA-N;137.23;1.24;;;;;DOPC;MDCG;27;1;"MARTINI bead: SC5_Nd";;;;;;;1.64;;-1.41;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM445960;MM445960;C=Cc1cn(C=C)nc1C;JZADVCIMSVSCSZ-UHFFFAOYSA-N;134.18;1.94;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNa_SN0";;;;;;;1.17;;-1.18;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM445961;MM445961;C=CC(C)(O)C(C)C1CC1;PLJLWSYLKASKTC-UHFFFAOYSA-N;140.23;1.97;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC3_Nda";;;;;;;2.57;;0.44;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM445962;MM445962;CN(C)CC(F)(F)C(=O)O;YKQFAFDNQMKKST-UHFFFAOYSA-N;153.13;0.27;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_N0";;;;;;;0.34;;-6.7;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM445963;MM445963;CC1C(C)C1CC#CCF;OJKPTZTWYFTPDO-UHFFFAOYSA-N;140.2;2.25;;;;;DOPC;MDCG;27;0;"MARTINI bead: SN0_Na";;;;;;;1.17;;-1.18;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM445964;MM445964;C=Cc1nn(N=C)cc1C;UOJNKKPGDCZEKY-UHFFFAOYSA-N;135.17;1.3;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP1_SN0";;;;;;;0.34;;-1.53;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM445965;MM445965;CCn1ccc(CF)c1N;CVXOMBNBXGFTLN-UHFFFAOYSA-N;142.18;1.56;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNd_SNa";;;;;;;0.87;;-1.88;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM445966;MM445966;C=CCC1=CCC(=CC)O1;KUYYVRWKXGKLBH-UHFFFAOYSA-N;136.19;2.77;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC5_SC5";;;;;;;2.41;;0.64;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM445967;MM445967;CCC#CCC1C(C)C1N;LBRGOPBFQCVNDT-UHFFFAOYSA-N;137.23;1.38;;;;;DOPC;MDCG;27;1;"MARTINI bead: C3_SNd";;;;;;;2.57;;-1.36;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM445968;MM445968;CCc1ccn(CC)c1O;QRHXUIZNRIJYGH-UHFFFAOYSA-N;139.2;1.78;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC5_SC5";;;;;;;2.41;;0.64;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM445969;MM445969;C#CC1C=C(C)C(C=C)=C1;ADSYTQBSYDDFHU-UHFFFAOYSA-N;130.19;2.31;;;;;DOPC;MDCG;27;0;"MARTINI bead: SN0_SC3";;;;;;;2.87;;0.37;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM445970;MM445970;CC=C1CC=C(CC#N)O1;ZXSYZRPKALNLBL-UHFFFAOYSA-N;135.17;2.11;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC5_SNa";;;;;;;1.64;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM445971;MM445971;CC1C(N)C1CC#CCN;WEAYVDQLOTXXST-UHFFFAOYSA-N;138.21;-0.07;;;;;DOPC;MDCG;27;1;"MARTINI bead: SNd_Nd";;;;;;;0.87;;-4.79;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM445972;MM445972;CCn1ccc(CN)c1O;FARSBTAEWNDCMT-UHFFFAOYSA-N;140.19;0.67;;;;;DOPC;MDCG;27;1;"MARTINI bead: SC5_SP1";;;;;;;0.81;;-2.73;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM445973;MM445973;C#CC1C=C(C)C(C#N)=C1;XWHLAHPRFRPQJE-UHFFFAOYSA-N;129.16;1.65;;;;;DOPC;MDCG;27;0;"MARTINI bead: SN0_SN0";;;;;;;1.47;;-0.05;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM445974;MM445974;C=CCC1=CCC(=CF)O1;BZQIURYJPMHRIM-UHFFFAOYSA-N;140.16;2.68;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC5_SC5";;;;;;;2.41;;0.64;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM445975;MM445975;CC1C(N)C1CC#CCO;PLJVMQMNVUWOHC-UHFFFAOYSA-N;139.2;-0.03;;;;;DOPC;MDCG;27;1;"MARTINI bead: SNd_P2";;;;;;;-0.24;;-5.79;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM445976;MM445976;CCn1ccc(CO)c1O;KPTJXVSHMXFAFB-UHFFFAOYSA-N;141.17;0.71;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC5_SNda";;;;;;;1.64;;0.05;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM445977;MM445977;C#CC1=CC(CC)C=C1C;XYSVYVHOXIWYSN-UHFFFAOYSA-N;132.21;2.53;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC3_SC4";;;;;;;3.9;;0.47;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM445978;MM445978;N#CCC1=CCC(=CF)O1;DBIAEDLAKMAJIE-UHFFFAOYSA-N;139.13;2.02;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC5_SN0";;;;;;;1.94;;0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM445979;MM445979;CC1C(N)C1CC#CCF;CFQBQNUFEIIMKP-UHFFFAOYSA-N;141.19;0.94;;;;;DOPC;MDCG;27;1;"MARTINI bead: SNd_Na";;;;;;;0.87;;-4.53;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM445980;MM445980;CCc1ccn(CC)c1F;HSZLVXSRRDQWPI-UHFFFAOYSA-N;141.19;2.21;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC5_SC5";;;;;;;2.41;;0.64;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM445981;MM445981;C#Cc1cn(CC)cc1C;WAPTVNYNEZYFSK-UHFFFAOYSA-N;133.19;1.8;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC5_SN0";;;;;;;1.94;;0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM445982;MM445982;CCc1cc(=NN)on1N;MYOCHFYPFYZJQK-UHFFFAOYSA-N;142.16;-0.87;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC5_SP2";;;;;;;0.54;;-1.09;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM445983;MM445983;C=NNC(C)=NCC(C)C;XJLXOOIWSUNEJU-UHFFFAOYSA-N;141.22;1.27;;;;;DOPC;MDCG;27;0;"MARTINI bead: C3_P1";;;;;;;1.74;;0.33;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM445984;MM445984;CCn1ccc(NC)c1C;NYCDQBQBHNXBKT-UHFFFAOYSA-N;138.21;1.86;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC4_SNd";;;;;;;2.2;;0.32;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM445985;MM445985;C#Cc1cn(CC)cc1N;GQKAVUATXXPTHS-UHFFFAOYSA-N;134.18;1.07;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC5_SNd";;;;;;;1.64;;0.02;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM445986;MM445986;C=CCC1=CCC(=NO)O1;JWTVPZMAZSHHEC-UHFFFAOYSA-N;139.15;1.65;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNda_SC5";;;;;;;1.64;;0.05;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM445987;MM445987;CC1C(O)C1CC#CCN;OJBLPIJGTNHUGS-UHFFFAOYSA-N;139.2;-0.03;;;;;DOPC;MDCG;27;1;"MARTINI bead: SNda_Nd";;;;;;;0.87;;-3.43;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM445988;MM445988;CCn1ccc(NC)c1O;MPFGLZWCPHSFPF-UHFFFAOYSA-N;140.19;1.26;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC5_SNd";;;;;;;1.64;;0.02;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM445989;MM445989;C#Cc1cn(NC)cc1C;DXCXBMUWBZUWGW-UHFFFAOYSA-N;134.18;0.95;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNd_SN0";;;;;;;1.17;;-1.04;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM445990;MM445990;N=CNC1=CCC(=CF)O1;YUJCJVNYZZYEKU-UHFFFAOYSA-N;142.13;1.26;;;;;DOPC;MDCG;27;1;"MARTINI bead: SC5_SP1";;;;;;;0.81;;-2.27;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM445991;MM445991;CCC#CCC1C(N)C1N;CTTKMQJYXCBZKV-UHFFFAOYSA-N;138.21;0.07;;;;;DOPC;MDCG;27;1;"MARTINI bead: C3_SP3";;;;;;;0.6;;-2.82;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM445992;MM445992;CCn1ccc(OC)c1C;YZYLYHHCCMONQT-UHFFFAOYSA-N;139.2;1.83;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC4_SNa";;;;;;;2.2;;0.34;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM445993;MM445993;CNc1cc(=NN)on1C;FBRXQJAEAMBKSU-UHFFFAOYSA-N;142.16;-0.57;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNd_SP2";;;;;;;-0.24;;-3.16;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM445994;MM445994;C#Cc1cn(NC)cc1N;OIDYINZPFRIFPH-UHFFFAOYSA-N;135.17;0.22;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNd_SNd";;;;;;;0.87;;-2.11;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM445995;MM445995;NCC#CCC1C(N)C1N;HLSISMPDGJBWIB-UHFFFAOYSA-N;139.2;-1.38;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_SP3";;;;;;;-1.1;;-6.1;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM445996;MM445996;CCn1ccc(OC)c1N;NLBOXUPISXSWFO-UHFFFAOYSA-N;140.19;1.1;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNd_SNa";;;;;;;0.87;;-1.88;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM445997;MM445997;CNc1cc(=NN)on1N;DHSJVGGQSRYLQD-UHFFFAOYSA-N;143.15;-1.39;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNd_SP2";;;;;;;-0.24;;-3.16;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM445998;MM445998;C#Cc1cn(OC)cc1C;ZTCLHKCXAUGXSA-UHFFFAOYSA-N;135.17;0.84;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNa_SN0";;;;;;;1.17;;-1.18;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM445999;MM445999;CCC#CCC1C(N)C1O;ZNNJZQCGYNVTCZ-UHFFFAOYSA-N;139.2;0.11;;;;;DOPC;MDCG;27;1;"MARTINI bead: C3_SP2";;;;;;;1.46;;-1.97;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM446000;MM446000;CCc1ccn(NC)c1C;LBIKSQFRKFLVKC-UHFFFAOYSA-N;138.21;1.53;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC5_SNd";;;;;;;1.64;;0.02;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM446001;MM446001;C=CCc1coc(=NO)o1;DNMIGSDNPRTCKD-UHFFFAOYSA-N;141.13;0.89;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP2_C4";;;;;;;1.09;;-0.37;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM446002;MM446002;C#Cc1nn(CC)cc1C;ASDHQSRQILTUJF-UHFFFAOYSA-N;134.18;1.19;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNa_SN0";;;;;;;1.17;;-1.18;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM446003;MM446003;CCC#CCC1C(N)C1F;UDHCLGSKAJVRFN-UHFFFAOYSA-N;141.19;1.09;;;;;DOPC;MDCG;27;1;"MARTINI bead: C3_SP1";;;;;;;1.74;;-0.62;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM446004;MM446004;CNn1ccc(CN)c1C;SXBANGXAWMMDGP-UHFFFAOYSA-N;139.2;0.43;;;;;DOPC;MDCG;27;1;"MARTINI bead: SNd_SP1";;;;;;;0.04;;-4.47;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM446005;MM446005;NN=c1occ(NC=O)o1;VKMSZTWNKVGVRG-UHFFFAOYSA-N;143.1;-0.78;;;;;DOPC;MDCG;27;0;"MARTINI bead: P3_SP2";;;;;;;-2.2;;-5.19;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM446006;MM446006;C#Cc1nn(NC)cc1C;XNVGMIPQTLTBBH-UHFFFAOYSA-N;135.17;0.35;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP1_SN0";;;;;;;0.34;;-1.53;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM446007;MM446007;CCC#CCC1C(O)C1O;PQPPBBOLONDHEK-UHFFFAOYSA-N;140.18;0.14;;;;;DOPC;MDCG;27;0;"MARTINI bead: C3_SP2";;;;;;;1.46;;-0.15;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM446008;MM446008;C=CC(O)(CC)CC1CC1;HEPHUMJXKPUMEU-UHFFFAOYSA-N;140.23;2.11;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_SC5";;;;;;;2.41;;0.64;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM446009;MM446009;COc1cc(=NN)on1C;ALWXKAYBHIWUGS-UHFFFAOYSA-N;143.15;-0.6;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNa_SP2";;;;;;;-0.24;;-3.24;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM446010;MM446010;C#Cc1nn(OC)cc1C;RVLPVIWPCZXTNB-UHFFFAOYSA-N;136.15;0.23;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNa_SN0";;;;;;;1.17;;-1.18;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM446011;MM446011;CCC#CCC1C(O)C1F;QYMKBSSWGPWEOB-UHFFFAOYSA-N;142.17;1.12;;;;;DOPC;MDCG;27;0;"MARTINI bead: C3_SP1";;;;;;;1.74;;0.29;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM446012;MM446012;CCc1ccn(NC)c1N;MNJCVGLXVQGNKU-UHFFFAOYSA-N;139.2;0.81;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC5_SP1";;;;;;;0.81;;-0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM446013;MM446013;C=Cc1cc(=NN)on1C;RQEMNLAIWILTGA-UHFFFAOYSA-N;139.16;0.04;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP2_SN0";;;;;;;0.06;;-2.21;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM446014;MM446014;C#CC1=CC(C=C)C=C1C;NSPPSMVUWHDXGF-UHFFFAOYSA-N;130.19;2.31;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC4_SC4";;;;;;;3.53;;0.53;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM446015;MM446015;CCC#CCC1C(C)N1C;ROJYHKKYBFDFAE-UHFFFAOYSA-N;137.23;1.49;;;;;DOPC;MDCG;27;0;"MARTINI bead: C3_SNd";;;;;;;2.57;;0.56;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM446016;MM446016;CNn1ccc(CN)c1N;VUVXLRMHHKMETP-UHFFFAOYSA-N;140.19;-0.3;;;;;DOPC;MDCG;27;1;"MARTINI bead: SP1_SP1";;;;;;;-0.79;;-4.55;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM446017;MM446017;C=Cc1cc(=NN)on1N;YMQHAPIYTRXWQL-UHFFFAOYSA-N;140.15;-0.79;;;;;DOPC;MDCG;27;0;"MARTINI bead: SN0_SP2";;;;;;;0.06;;-2.21;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM446018;MM446018;C#Cc1cn(C=C)cc1C;MRSOEGICGKPRHX-UHFFFAOYSA-N;131.18;1.88;;;;;DOPC;MDCG;27;0;"MARTINI bead: SN0_SN0";;;;;;;1.47;;-0.05;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM446019;MM446019;CC1C(CC#CCN)N1C;IJKNKMNYOKZWMR-UHFFFAOYSA-N;138.21;0.04;;;;;DOPC;MDCG;27;1;"MARTINI bead: SNd_Nd";;;;;;;0.87;;-3.61;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM446020;MM446020;C=CC(=C)C(C)C(O)CC;AVBZTTAZAUFTAO-UHFFFAOYSA-N;140.23;2.14;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda_C1";;;;;;;2.91;;0.57;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM446021;MM446021;C#Cc1cc(=NN)on1C;SXAAAWGZJAQANZ-UHFFFAOYSA-N;137.14;-0.63;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP2_SN0";;;;;;;0.06;;-2.21;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM446022;MM446022;C#Cc1cn(C=N)cc1C;AYGOZYOASUDEJR-UHFFFAOYSA-N;132.17;1.23;;;;;DOPC;MDCG;27;1;"MARTINI bead: SNd_SN0";;;;;;;1.17;;-4.85;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM446023;MM446023;CCC#CCN1C(C)C1C;XQYFZKZJWGXKDD-UHFFFAOYSA-N;137.23;1.49;;;;;DOPC;MDCG;27;0;"MARTINI bead: C3_SP1";;;;;;;1.74;;0.3;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM446024;MM446024;CCc1ccn(NC)c1O;JFJQEKAYCLHFMO-UHFFFAOYSA-N;140.19;0.93;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC5_SP1";;;;;;;0.81;;-0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM446025;MM446025;CC(CC(=O)C#N)C(=O)O;WJNMBMZTLGGFJM-UHFFFAOYSA-N;141.13;0.19;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda_P1";;;;;;;0.04;;-7.86;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM446026;MM446026;C#Cc1cn(C=O)cc1C;MICIINKTPHNTOJ-UHFFFAOYSA-N;133.15;0.82;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNa_SN0";;;;;;;1.17;;-1.18;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM446027;MM446027;CC1C(C)N1CC#CCN;QIEMBGIKDSFSAJ-UHFFFAOYSA-N;138.21;0.04;;;;;DOPC;MDCG;27;1;"MARTINI bead: SP1_Nd";;;;;;;0.04;;-4.09;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM446028;MM446028;CNc1ccn(NC)c1C;IWWHSWLFMRHZPF-UHFFFAOYSA-N;139.2;1.01;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNd_SNd";;;;;;;0.87;;-2.11;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM446029;MM446029;C=CC1C=CC(=O)O1;YJSVACBWSNRAKW-UHFFFAOYSA-N;110.11;0.65;;;;;DOPC;MDCG;27;0;"MARTINI bead: SN0_SNa";;;;;;;1.17;;-6.38;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM446030;MM446030;C#Cc1cn(N=C)cc1C;POZZMURTRHMFNF-UHFFFAOYSA-N;132.17;1.24;;;;;DOPC;MDCG;27;1;"MARTINI bead: SN0_SN0";;;;;;;1.47;;-1.71;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM446031;MM446031;C=CC#CCC1C(C)C1C;YIMAIVLJVFHOAO-UHFFFAOYSA-N;134.22;2.47;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC5_C4";;;;;;;2.97;;0.45;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM446032;MM446032;CNc1ccn(NC)c1N;ALWSGISZOJVVCU-UHFFFAOYSA-N;140.19;0.29;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNd_SP1";;;;;;;0.04;;-2.63;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM446033;MM446033;CC(=O)c1oc(=O)oc1O;RUPHUARCOQNZOP-UHFFFAOYSA-N;144.08;0.14;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_SP2";;;;;;;-0.24;;-8.25;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM446034;MM446034;C#Cc1cn(N=C)cc1N;QCQACLFIQIGDRR-UHFFFAOYSA-N;133.15;0.52;;;;;DOPC;MDCG;27;1;"MARTINI bead: SN0_SNd";;;;;;;1.17;;-3.29;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM446035;MM446035;CC1C(C)C1CC#CC#N;VNLPDYCMVBUYFG-UHFFFAOYSA-N;133.19;1.81;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC5_N0";;;;;;;1.94;;0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM446036;MM446036;CNn1ccc(OC)c1C;WFUUGCAJGMGZOD-UHFFFAOYSA-N;140.19;0.98;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNd_SNa";;;;;;;0.87;;-1.88;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM446037;MM446037;O=CNN=C(C=O)C(=O)O;KCWCBYZHFYRVMV-UHFFFAOYSA-N;144.09;-1.63;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_P1";;;;;;;-0.79;;-8.33;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM446038;MM446038;C#Cc1cn(N=C)nc1C;BJWLZXSBAWIUGW-UHFFFAOYSA-N;133.15;0.64;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP1_SN0";;;;;;;0.34;;-1.53;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM446039;MM446039;C=CC#CCC1C(C)C1N;YUTXBAGZAIBQTM-UHFFFAOYSA-N;135.21;1.16;;;;;DOPC;MDCG;27;1;"MARTINI bead: SNd_C4";;;;;;;2.2;;-2.07;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM446040;MM446040;CCc1ccn(OC)c1C;ZILPITOWGAUCOW-UHFFFAOYSA-N;139.2;1.42;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC5_SNa";;;;;;;1.64;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM446041;MM446041;C=CC(C#N)C(O)C(=O)O;FHQKJLWWLXUKFN-UHFFFAOYSA-N;141.13;-0.24;;;;;DOPC;MDCG;27;0;"MARTINI bead: N0_P2";;;;;;;0.06;;-7.12;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM446042;MM446042;C#Cc1nn(C=C)cc1C;FYVGMACLVGOUIJ-UHFFFAOYSA-N;132.17;1.27;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNa_SN0";;;;;;;1.17;;-1.18;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM446043;MM446043;N=C(N)C(=O)C(F)=C(N)N;JVGFRXHVSYANKZ-UHFFFAOYSA-N;146.13;-1.45;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_P3";;;;;;;-1.93;;-4.72;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM446044;MM446044;COn1ccc(CN)c1C;DQYUQNVFMBHLJQ-UHFFFAOYSA-N;140.19;0.31;;;;;DOPC;MDCG;27;1;"MARTINI bead: SNa_SP1";;;;;;;0.04;;-4.27;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM446045;MM446045;C#Cc1cc(=NN)on1N;IWYAENYWCINQIU-UHFFFAOYSA-N;138.13;-1.45;;;;;DOPC;MDCG;27;0;"MARTINI bead: SN0_SP2";;;;;;;0.06;;-2.21;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM446046;MM446046;C#Cc1nn(C=O)cc1C;PODOXVNQSXIFCM-UHFFFAOYSA-N;134.14;0.21;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP1_SN0";;;;;;;0.34;;-1.53;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM446047;MM446047;CC=NOCCCC(C)=O;FDOHIAJOXPBGOE-UHFFFAOYSA-N;143.19;1.38;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_P1";;;;;;;0.81;;-0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM446048;MM446048;COn1ccc(CO)c1C;LOBALARIGWJZQQ-UHFFFAOYSA-N;141.17;0.35;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNa_SNda";;;;;;;0.87;;-1.99;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM446049;MM446049;C#CC12CC(C)C(O)C1C2;ZDCKGTFHFXMAQP-UHFFFAOYSA-N;136.19;1.03;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC4_SNda";;;;;;;2.2;;0.49;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM446050;MM446050;C#Cc1nn(N=C)cc1C;KSPZUKLILLHPPV-UHFFFAOYSA-N;133.15;0.64;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP1_SN0";;;;;;;0.34;;-1.53;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM446051;MM446051;C=CC#CCC1C(C)C1F;KUCGXFKNYRBAGP-UHFFFAOYSA-N;138.19;2.17;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNa_C4";;;;;;;2.2;;0.34;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM446052;MM446052;CCc1ccn(OC)c1N;POTGNFBDPFXMGZ-UHFFFAOYSA-N;140.19;0.69;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC5_SNda";;;;;;;1.64;;0.05;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM446053;MM446053;NN=c1onc(NC=O)o1;VOYGZJSKRPSIEB-UHFFFAOYSA-N;144.09;-1.39;;;;;DOPC;MDCG;27;0;"MARTINI bead: P3_SP2";;;;;;;-2.2;;-5.19;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM446054;MM446054;C#CC1=CC(C#C)C=C1C;FZJXQLNZNFLCAF-UHFFFAOYSA-N;128.17;1.76;;;;;DOPC;MDCG;27;0;"MARTINI bead: SN0_SC4";;;;;;;2.5;;0.44;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM446055;MM446055;CC1C(F)C1CC#CC#N;LGIOKHALNHODTP-UHFFFAOYSA-N;137.16;1.51;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNa_N0";;;;;;;1.17;;-1.18;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM446056;MM446056;COn1ccc(CN)c1N;UDYULUVHFFWPAF-UHFFFAOYSA-N;141.17;-0.41;;;;;DOPC;MDCG;27;1;"MARTINI bead: SNda_SP1";;;;;;;0.04;;-4.04;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM446057;MM446057;C=COc1noc(=NN)o1;ZTLVZHMPOWRCJN-UHFFFAOYSA-N;143.1;-0.44;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_SP2";;;;;;;-1.06;;-3.82;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM446058;MM446058;CC=C1C=C(C)C(CC)=C1;RHNHAKMOZGPRJO-UHFFFAOYSA-N;134.22;3.23;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC1_SC4";;;;;;;4.24;;0.42;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM446059;MM446059;C=CC#CCC1C(N)C1N;BNXVHPFXDQFBEV-UHFFFAOYSA-N;136.2;-0.15;;;;;DOPC;MDCG;27;1;"MARTINI bead: SP3_C4";;;;;;;0.23;;-3.09;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM446060;MM446060;CNc1ccn(OC)c1C;XVVSLTFMLMGVBE-UHFFFAOYSA-N;140.19;0.9;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNd_SNa";;;;;;;0.87;;-1.88;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM446061;MM446061;NN=c1onc(OC=O)o1;REVCMKPXCWNIPN-UHFFFAOYSA-N;145.07;-1.42;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP2_P1";;;;;;;-1.06;;-3.82;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM446062;MM446062;CCC(O)C1CC1(C)C;LCVUMFPPRFJBOT-UHFFFAOYSA-N;128.22;1.8;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda_SC4";;;;;;;2.2;;0.49;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM446063;MM446063;C=CC#CCC1C(N)C1O;BAWPXTMVHKQIDC-UHFFFAOYSA-N;137.18;-0.12;;;;;DOPC;MDCG;27;1;"MARTINI bead: SP2_C4";;;;;;;1.09;;-2.28;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM446064;MM446064;CNC=NN=CN(C)NC;LYPGTYWJUMXOEA-UHFFFAOYSA-N;143.19;-0.76;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_P2";;;;;;;-1.06;;-3.82;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM446065;MM446065;C#CCC1=CCC(=CC)C1;IOZRMDPBRWITMH-UHFFFAOYSA-N;132.21;2.68;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC3_SC4";;;;;;;3.9;;0.47;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM446066;MM446066;C=CC1=CC(=CC)C=C1C;NFZLNGBWDGRLAE-UHFFFAOYSA-N;132.21;3.01;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC4_SC3";;;;;;;3.9;;0.47;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM446067;MM446067;C=CC#CCC1C(N)C1F;QJTJAGZFPLWOTO-UHFFFAOYSA-N;139.17;0.86;;;;;DOPC;MDCG;27;1;"MARTINI bead: SP1_C4";;;;;;;1.37;;-1.22;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM446068;MM446068;CCn1cnc(CF)c1C;BRZZJUQPXLXGIS-UHFFFAOYSA-N;142.18;1.68;;;;;DOPC;MDCG;27;0;"MARTINI bead: SN0_SNa";;;;;;;1.17;;-1.17;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM446069;MM446069;C#CCC1=CCC(=CF)C1;LRUJMBZISUVAEL-UHFFFAOYSA-N;136.17;2.58;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC5_SC4";;;;;;;2.97;;0.45;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM446070;MM446070;CC=C1C=C(C)C(C=O)=C1;RSEANQGGRHGUIB-UHFFFAOYSA-N;134.18;2.02;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC4_SC5";;;;;;;2.97;;0.45;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM446071;MM446071;C=CC#CCC1C(O)C1F;QOCBMASNHUBGLF-UHFFFAOYSA-N;140.16;0.89;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP1_C4";;;;;;;1.37;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM446072;MM446072;CNN=CC(C=O)N(C)C;FXFQTRJULYHELO-UHFFFAOYSA-N;143.19;-0.68;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda_P1";;;;;;;0.04;;-2.73;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM446073;MM446073;C#CCC1=CCC(=NN)C1;SNKNDOPRSRRDBX-UHFFFAOYSA-N;134.18;1.04;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNd_SC4";;;;;;;2.2;;0.32;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM446074;MM446074;CC=C1C=C(C)C(C#N)=C1;WHGGRFWRUPAKPB-UHFFFAOYSA-N;131.18;2.34;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC4_SN0";;;;;;;2.5;;0.44;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM446075;MM446075;N#CC#CCC1C(O)C1F;CVOBVRZFXKENSF-UHFFFAOYSA-N;139.13;0.23;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP1_N0";;;;;;;0.34;;-1.53;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM446076;MM446076;CCn1cnc(NC)c1C;YNUAQLLQNOWPJT-UHFFFAOYSA-N;139.2;1.25;;;;;DOPC;MDCG;27;0;"MARTINI bead: SN0_SNda";;;;;;;1.17;;-1.13;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM446077;MM446077;C#CCC1=CCC(=NO)C1;NKMJHVHBUJLRNM-UHFFFAOYSA-N;135.17;1.56;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNda_SC4";;;;;;;2.2;;0.49;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM446078;MM446078;CC1=CC(=CF)C=C1C#N;UXJOSUUZOXJGNN-UHFFFAOYSA-N;135.14;2.25;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC5_SN0";;;;;;;1.94;;0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM446079;MM446079;C=CC#CCC1C(F)C1F;GIHRINCIIAFWLN-UHFFFAOYSA-N;142.15;1.87;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNa_C4";;;;;;;2.2;;0.34;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM446080;MM446080;CCn1cnc(OC)c1C;LZTOKLDFCCGHLJ-UHFFFAOYSA-N;140.19;1.22;;;;;DOPC;MDCG;27;0;"MARTINI bead: SN0_SNa";;;;;;;1.17;;-1.18;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM446081;MM446081;C#CCC1=CNC(=NC)C1;OEERYWMQVDWCLS-UHFFFAOYSA-N;134.18;0.92;;;;;DOPC;MDCG;27;1;"MARTINI bead: SNd_SN0";;;;;;;1.17;;-4.2;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM446082;MM446082;CC1=CC(=NO)C=C1C=O;XSBVICNGAXQWFR-UHFFFAOYSA-N;137.14;0.9;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNda_SC5";;;;;;;1.64;;0.05;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM446083;MM446083;C=CC#CCC1C(C)N1C;XOUHYOPZHWXCBK-UHFFFAOYSA-N;135.21;1.27;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4_SNd";;;;;;;2.2;;0.33;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM446084;MM446084;CCn1cnc(OC)c1N;SRTDDTHNLBBAPW-UHFFFAOYSA-N;141.17;0.49;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP1_SNa";;;;;;;0.04;;-2.54;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM446085;MM446085;CCC(C=O)N1CC1CC;DIHJCEPPJGCRMU-UHFFFAOYSA-N;141.21;1.06;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP1_P1";;;;;;;-0.79;;-3.13;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM446086;MM446086;C=CC1=NC(=NC)C=C1C;BKBVMBGUTUQMRP-UHFFFAOYSA-N;134.18;1.6;;;;;DOPC;MDCG;27;0;"MARTINI bead: SN0_SC4";;;;;;;2.5;;0.45;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM446087;MM446087;CC1C(CC#CC#N)N1C;FGQQVOIOGMQGFS-UHFFFAOYSA-N;134.18;0.61;;;;;DOPC;MDCG;27;0;"MARTINI bead: N0_SNd";;;;;;;1.17;;-1.04;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM446088;MM446088;CCc1ncn(NC)c1C;KFUCZGAWPFIJLU-UHFFFAOYSA-N;139.2;0.93;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNa_SP2";;;;;;;-0.24;;-3.24;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM446089;MM446089;C#CCC1=COC(=CC)C1;NKDBXQABXJZXRV-UHFFFAOYSA-N;134.18;2.22;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC5_SN0";;;;;;;1.94;;0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM446090;MM446090;C=CC1=NC(=NC)N=C1C;YBMIWTSIUJQPKC-UHFFFAOYSA-N;135.17;1.07;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP1_SN0";;;;;;;0.34;;-1.53;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM446091;MM446091;C=CC#CCN1C(C)C1C;ZGCMGJHAYLQTHG-UHFFFAOYSA-N;135.21;1.27;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP1_C4";;;;;;;1.37;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM446092;MM446092;C=Cn1nc(N)c(N)c1N;NVUOCZUFKQNYRW-UHFFFAOYSA-N;139.16;-0.27;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP1_SP2";;;;;;;-1.06;;-3.82;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM446093;MM446093;C#CCC1=COC(=CF)C1;AOHZWVDXSQEAQX-UHFFFAOYSA-N;138.14;2.12;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC5_SN0";;;;;;;1.94;;0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM446094;MM446094;C#CC1=CC(=CC)C=C1C;BIJAIXVLLAIDMI-UHFFFAOYSA-N;130.19;2.45;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC4_SC4";;;;;;;3.53;;0.53;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM446095;MM446095;CC1C(C)N1CC#CC#N;QPGDHVMZYBHRIE-UHFFFAOYSA-N;134.18;0.61;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP1_N0";;;;;;;0.34;;-1.53;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM446096;MM446096;CNc1ncn(NC)c1C;AVCFOIWHIZNKLG-UHFFFAOYSA-N;140.19;0.41;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNda_SP2";;;;;;;-0.24;;-3.31;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM446097;MM446097;C#CC(=CC)C1NC1C=O;OJOUWOPELCOSCN-UHFFFAOYSA-N;135.17;0.11;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4_SP2";;;;;;;1.09;;-0.38;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM446098;MM446098;C#CC1=CC(=CF)C=C1C;CPNQHANOTXIHSI-UHFFFAOYSA-N;134.15;2.36;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC5_SC4";;;;;;;2.97;;0.45;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM446099;MM446099;C#CC#CCC1C(C)C1C;QNDMWLQTFDKZNP-UHFFFAOYSA-N;132.21;1.92;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC5_C4";;;;;;;2.97;;0.45;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM446100;MM446100;CCc1ncn(OC)c1C;WPDVUSHYYWFIJA-UHFFFAOYSA-N;140.19;0.81;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNa_SNa";;;;;;;0.87;;-2.22;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM446101;MM446101;C#CCC1=COC(=NO)C1;ASBSPILCEOETPZ-UHFFFAOYSA-N;137.14;1.1;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNda_SN0";;;;;;;1.17;;-1.13;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM446102;MM446102;C#CC1=CC(=NN)C=C1C;NMUMDALDWHUFJL-UHFFFAOYSA-N;132.17;0.82;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNd_SC4";;;;;;;2.2;;0.32;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM446103;MM446103;C#CC#CCC1C(C)C1N;HTOSZINRRIQVOU-UHFFFAOYSA-N;133.19;0.61;;;;;DOPC;MDCG;27;1;"MARTINI bead: SNd_C4";;;;;;;2.2;;-2.07;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM446104;MM446104;CCc1cnn(CC)c1C;NAYHATRAGOGLQX-UHFFFAOYSA-N;138.21;1.77;;;;;DOPC;MDCG;27;0;"MARTINI bead: SN0_SNa";;;;;;;1.17;;-1.18;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM446105;MM446105;CCC=NN=COC=NN;ROYBCFSAHZBLGA-UHFFFAOYSA-N;142.16;0.33;;;;;DOPC;MDCG;27;0;"MARTINI bead: C3_P2";;;;;;;1.46;;-0.15;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM446106;MM446106;C#CC1=CC(=NO)C=C1C;RZQUKHKVOLUINW-UHFFFAOYSA-N;133.15;1.34;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNda_SC4";;;;;;;2.2;;0.5;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM446107;MM446107;C=CNC=NN=CN(C)N;OFMRUCJOYQDVMT-UHFFFAOYSA-N;141.18;-0.5;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_Nd";;;;;;;-0.24;;-3.16;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM446108;MM446108;CCn1ncc(CN)c1C;WYHPBQDJDVJZBQ-UHFFFAOYSA-N;139.2;0.67;;;;;DOPC;MDCG;27;1;"MARTINI bead: SNa_SP2";;;;;;;-0.24;;-4.7;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM446109;MM446109;C#CCC1=NNC(=NN)C1;FAYCAOVAJYYQNX-UHFFFAOYSA-N;136.16;-0.37;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP1_SP1";;;;;;;-0.79;;-3.13;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM446110;MM446110;CC(O)C1(C)C(C)C1C;OTZBEVSXQMRHEU-UHFFFAOYSA-N;128.22;1.66;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_SN0";;;;;;;0.34;;-1.53;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM446111;MM446111;C#CC#CCC1C(C)C1F;QTCOZZCSIRMXBF-UHFFFAOYSA-N;136.17;1.62;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNa_C4";;;;;;;2.2;;0.34;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM446112;MM446112;C#CC(CC)=NN=CNC;JTLMVJYTMRBVOV-UHFFFAOYSA-N;137.19;0.63;;;;;DOPC;MDCG;27;0;"MARTINI bead: P3_C3";;;;;;;0.6;;-0.8;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM446113;MM446113;C#CCC1=NNC(=NO)C1;VFRGJLQUOOWGHR-UHFFFAOYSA-N;137.14;0.15;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP1_SP1";;;;;;;-0.79;;-3.13;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM446114;MM446114;C#Cc1cc(N=O)[nH]c1C;KQCXKSCIRAGYHV-UHFFFAOYSA-N;134.14;1.7;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNd_SN0";;;;;;;1.17;;-1.04;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM446115;MM446115;C#CC#CCC1C(N)C1N;HLYYSQMUNBZVRI-UHFFFAOYSA-N;134.18;-0.7;;;;;DOPC;MDCG;27;1;"MARTINI bead: SP3_C4";;;;;;;0.23;;-3.09;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM446116;MM446116;CCn1ncc(CF)c1C;NBQPJRRZLASUNJ-UHFFFAOYSA-N;142.18;1.68;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNa_SNa";;;;;;;0.87;;-2.22;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM446117;MM446117;C#CCC1=NOC(=NN)C1;FDCSDPYCEXOGNH-UHFFFAOYSA-N;137.14;0.06;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP1_SN0";;;;;;;0.34;;-1.53;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM446118;MM446118;C#CC1=NC(=NC)C=C1C;BPUQYOVZVTWOCA-UHFFFAOYSA-N;132.17;1.05;;;;;DOPC;MDCG;27;0;"MARTINI bead: SN0_SN0";;;;;;;1.47;;-0.05;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM446119;MM446119;C#CC#CCC1C(N)C1O;VFZJTIBGNHQYPE-UHFFFAOYSA-N;135.17;-0.67;;;;;DOPC;MDCG;27;1;"MARTINI bead: SP2_C4";;;;;;;1.09;;-2.28;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM446120;MM446120;CCc1cnn(CC)c1N;YFJUQSWOVNQJFC-UHFFFAOYSA-N;139.2;1.05;;;;;DOPC;MDCG;27;0;"MARTINI bead: SN0_SNda";;;;;;;1.17;;-1.13;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM446121;MM446121;C#CCC1=NOC(=NO)C1;YWSLXGPCOIFWPY-UHFFFAOYSA-N;138.13;0.57;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP1_SN0";;;;;;;0.34;;-1.53;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM446122;MM446122;CC1CC(O)C(C)C1C;BCYIOAZXXUQZPP-UHFFFAOYSA-N;128.22;1.66;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNda_SC2";;;;;;;2.83;;0.57;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM446123;MM446123;C#CC#CCC1C(N)C1F;BYUXRYMQWJIALE-UHFFFAOYSA-N;137.16;0.31;;;;;DOPC;MDCG;27;1;"MARTINI bead: SP1_C4";;;;;;;1.37;;-1.22;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM446124;MM446124;CCn1ncc(CN)c1N;AYIFEJWPBRRMRS-UHFFFAOYSA-N;140.19;-0.06;;;;;DOPC;MDCG;27;1;"MARTINI bead: SNda_SP2";;;;;;;-0.24;;-4.36;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM446125;MM446125;C#CCC1=CCC(=NC)N1;KEISRMGLMVETGV-UHFFFAOYSA-N;134.18;0.92;;;;;DOPC;MDCG;27;1;"MARTINI bead: SN0_SNd";;;;;;;1.17;;-4.1;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM446126;MM446126;C#CC#CCC1C(O)C1O;RKDODXZCFILSLK-UHFFFAOYSA-N;136.15;-0.64;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP2_C4";;;;;;;1.09;;-0.38;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM446127;MM446127;CN=c1nnc(N)c(N)o1;QMJXWBFGAQRNFW-UHFFFAOYSA-N;141.13;-1.24;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP2_SP4";;;;;;;-2.29;;-5.95;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM446128;MM446128;C=CC=NN=COC=NN;QCWMOIUTUFNNEZ-UHFFFAOYSA-N;140.15;0.11;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_C4";;;;;;;1.09;;-0.38;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM446129;MM446129;C#CC#CCC1C(O)C1F;LFLWCRUMWOAAIP-UHFFFAOYSA-N;138.14;0.34;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP1_C4";;;;;;;1.37;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM446130;MM446130;CCn1ncc(NC)c1C;XIQBZYHTWRVVHY-UHFFFAOYSA-N;139.2;1.25;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNa_SNd";;;;;;;0.87;;-1.88;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM446131;MM446131;C#CCc1c[nH]c(=NC)[nH]1;INTDPGAHGFWVKY-UHFFFAOYSA-N;135.17;0.05;;;;;DOPC;MDCG;27;1;"MARTINI bead: SP1_SNd";;;;;;;0.04;;-6.48;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM446132;MM446132;C#CC#CCC1C(C)N1C;GGUYPWNAPTZAHX-UHFFFAOYSA-N;133.19;0.72;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4_SNd";;;;;;;2.2;;0.33;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM446133;MM446133;CCn1ncc(NC)c1N;JZYOQJFRFLHFPD-UHFFFAOYSA-N;140.19;0.53;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNda_SNd";;;;;;;0.87;;-1.92;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM446134;MM446134;C#CCc1c[nH]c(=NN)[nH]1;FGSPLXDDDFUCKN-UHFFFAOYSA-N;136.16;-0.71;;;;;DOPC;MDCG;27;1;"MARTINI bead: SP2_SNd";;;;;;;-0.24;;-5.53;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM446135;MM446135;C#CC#CCN1C(C)C1C;LGMRSIMROXUQIU-UHFFFAOYSA-N;133.19;0.72;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP1_C4";;;;;;;1.37;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM446136;MM446136;CCn1ncc(NC)c1O;FGJHTBOVFZNSGR-UHFFFAOYSA-N;141.17;0.65;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNda_SNd";;;;;;;0.87;;-1.92;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM446137;MM446137;C#CCc1coc(=NN)[nH]1;OQWFKGBIJBLWIL-UHFFFAOYSA-N;137.14;-0.44;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP2_SNd";;;;;;;-0.24;;-3.16;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM446138;MM446138;N#CCNN=CC=C(F)F;PMLMYUKMXCCDKU-UHFFFAOYSA-N;145.11;0.87;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4_P1";;;;;;;1.37;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM446139;MM446139;CCn1ncc(OC)c1C;BWRQUKUFYJVXEJ-UHFFFAOYSA-N;140.19;1.22;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNa_SNa";;;;;;;0.87;;-2.22;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM446140;MM446140;C#CCC1=NCC(=CF)N1;GWFBJDXVVDJMFM-UHFFFAOYSA-N;138.15;0.82;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNda_SN0";;;;;;;1.17;;-1.13;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM446141;MM446141;NCCC=CC1C(N)C1N;VNEOQONNEMMJSC-UHFFFAOYSA-N;141.22;-0.82;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_SP3";;;;;;;-1.1;;-6.73;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM446142;MM446142;CCn1ncc(OC)c1N;MICFQCVNFKNNOM-UHFFFAOYSA-N;141.17;0.49;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNda_SNa";;;;;;;0.87;;-1.99;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM446143;MM446143;CCN1C=NC(=NN)CO1;HQOGIHPGNLMSFB-UHFFFAOYSA-N;142.16;-0.45;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNa_SP2";;;;;;;-0.24;;-3.24;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM446144;MM446144;NCCC=CC1C(F)C1F;DPNPRQZLWOUWTG-UHFFFAOYSA-N;147.17;1.2;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_SNa";;;;;;;0.87;;-4.64;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM446145;MM446145;CCc1cnn(NC)c1C;OSQIMUIOYKSTGK-UHFFFAOYSA-N;139.2;0.93;;;;;DOPC;MDCG;27;0;"MARTINI bead: SN0_SP1";;;;;;;0.34;;-1.53;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM446146;MM446146;CCC1=NOC(=NN)CC1;LEQYHOBCQKZEMD-UHFFFAOYSA-N;141.17;0.84;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC5_SNda";;;;;;;1.64;;0.05;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM446147;MM446147;CCOC=CC1C(C)C1N;DYPJWSBASDUPST-UHFFFAOYSA-N;141.21;1.13;;;;;DOPC;MDCG;27;1;"MARTINI bead: C5_SNd";;;;;;;1.64;;-2.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM446148;MM446148;CNn1ncc(CN)c1C;CTCHIBKWHATUCV-UHFFFAOYSA-N;140.19;-0.18;;;;;DOPC;MDCG;27;1;"MARTINI bead: SP1_SP2";;;;;;;-1.06;;-5.23;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM446149;MM446149;C#CCC1=NCC(=NO)N1;JNAGLEGLFXNFBG-UHFFFAOYSA-N;137.14;-0.2;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP2_SN0";;;;;;;0.06;;-2.21;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM446150;MM446150;CCOC=CC1C(C)C1O;NLWALODGRANEDX-UHFFFAOYSA-N;142.2;1.16;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_SNda";;;;;;;1.64;;0.05;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM446151;MM446151;C#CC1=NNC(=NC)C1=C;KLCREQYQMIZBMH-UHFFFAOYSA-N;133.15;0.16;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNd_SP1";;;;;;;0.04;;-2.63;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM446152;MM446152;N#CC(O)CC(=O)O;JUBQWIQZJYAKGO-UHFFFAOYSA-N;115.09;-0.65;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_P1";;;;;;;-1.06;;-8.77;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM446153;MM446153;CCNN=CC1C(C)C1C;CJMGKUKCSUPDIJ-UHFFFAOYSA-N;140.23;1.48;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nd_SC5";;;;;;;1.64;;0.02;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM446154;MM446154;CCc1cnn(NC)c1N;NANHGFVCEKYVHO-UHFFFAOYSA-N;140.19;0.2;;;;;DOPC;MDCG;27;0;"MARTINI bead: SN0_SP2";;;;;;;0.06;;-2.21;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM446155;MM446155;CC1=NC(=CO)N=N1;JUAMOKCRAPYIJR-UHFFFAOYSA-N;111.1;1.23;;;;;DOPC;MDCG;27;0;"MARTINI bead: SN0_SNda";;;;;;;1.17;;-6.36;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM446156;MM446156;CCNN=CC1C(C)C1N;OUVCDBKKOWWSFR-UHFFFAOYSA-N;141.22;0.17;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_SNd";;;;;;;0.87;;-4.39;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM446157;MM446157;CNc1cnn(NC)c1C;ADLNUDBNAKYEPW-UHFFFAOYSA-N;140.19;0.41;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNd_SP1";;;;;;;0.04;;-2.63;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM446158;MM446158;C=NN=c1oc(O)c(O)o1;IIBLBQPEWSGEGB-UHFFFAOYSA-N;144.09;-0.2;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP3_P2";;;;;;;-2.2;;-9.57;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM446159;MM446159;CCOC=CC1C(C)N1C;DSTRPEXRKKQQQL-UHFFFAOYSA-N;141.21;1.24;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_SNd";;;;;;;1.64;;0.02;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM446160;MM446160;CNn1ncc(OC)c1C;QFNQGJVVPSMNIL-UHFFFAOYSA-N;141.17;0.37;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP1_SNa";;;;;;;0.04;;-2.54;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM446161;MM446161;C#CCC1=CCC(=CC)O1;RTHXCNUPSJXVRF-UHFFFAOYSA-N;134.18;2.22;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC5_SNa";;;;;;;1.64;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM446162;MM446162;CCCN=CN1C(C)C1C;NOKKBIHHSASLCU-UHFFFAOYSA-N;140.23;1.52;;;;;DOPC;MDCG;27;1;"MARTINI bead: N0_SNd";;;;;;;1.17;;-3.05;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM446163;MM446163;CCc1cnn(OC)c1C;RFNBXBUIYOVVED-UHFFFAOYSA-N;140.19;0.81;;;;;DOPC;MDCG;27;0;"MARTINI bead: SN0_SNa";;;;;;;1.17;;-1.18;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM446164;MM446164;C#CCC1=CCC(=CF)O1;XFTKNWNLZCXVHO-UHFFFAOYSA-N;138.14;2.12;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC5_SN0";;;;;;;1.94;;0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM446165;MM446165;CC1C(C)N1C=NCCN;JZUNATYIKJLFIC-UHFFFAOYSA-N;141.22;0.07;;;;;DOPC;MDCG;27;1;"MARTINI bead: SP1_P2";;;;;;;-1.06;;-5.57;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM446166;MM446166;COn1ncc(CN)c1C;NXOARXSBOKPAIB-UHFFFAOYSA-N;141.17;-0.29;;;;;DOPC;MDCG;27;1;"MARTINI bead: SNa_SP2";;;;;;;-0.24;;-4.55;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM446167;MM446167;NN=C1CCC(CF)=NO1;GWUBDQVSJDPZBP-UHFFFAOYSA-N;145.14;0.39;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNda_SNa";;;;;;;0.87;;-1.99;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM446168;MM446168;CC1C(C)N1C=NCCO;IPJOFOZFCWVNFL-UHFFFAOYSA-N;142.2;0.1;;;;;DOPC;MDCG;27;1;"MARTINI bead: SP1_P2";;;;;;;-1.06;;-5.26;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM446169;MM446169;CCc1nnn(CC)c1C;IXDUDCJCIWGNEB-UHFFFAOYSA-N;139.2;1.17;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNa_SNa";;;;;;;0.87;;-2.22;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM446170;MM446170;C#CCC1=CCC(=NO)O1;ZEFDYYPEYLQQBG-UHFFFAOYSA-N;137.14;1.1;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNda_SN0";;;;;;;1.17;;-1.13;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM446171;MM446171;CCCC=NN1C(C)C1C;ZVNWMPRDXKONHH-UHFFFAOYSA-N;140.23;1.86;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1_SP1";;;;;;;2.08;;0.48;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM446172;MM446172;CCn1nnc(CO)c1C;WCTOWRMHLOBYQS-UHFFFAOYSA-N;141.17;0.1;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNa_SP2";;;;;;;-0.24;;-3.24;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM446173;MM446173;C#CCc1c[nH]c(=NN)o1;AZZAKWZZCXAAAI-UHFFFAOYSA-N;137.14;-0.44;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP2_SN0";;;;;;;0.06;;-2.21;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM446174;MM446174;CC1C(C)N1N=CCCN;GHHGRJWHHFUGSL-UHFFFAOYSA-N;141.22;0.41;;;;;DOPC;MDCG;27;1;"MARTINI bead: SP1_P3";;;;;;;-1.93;;-7.1;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM446175;MM446175;CCn1nnc(CF)c1C;VEAGOQKIDUUXHQ-UHFFFAOYSA-N;143.17;1.08;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNa_SP1";;;;;;;0.04;;-2.54;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM446176;MM446176;COC1=NOC(=NN)CC1;KADUEICLFNBKFA-UHFFFAOYSA-N;143.15;0.03;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNa_SNda";;;;;;;0.87;;-1.99;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM446177;MM446177;C#CC=NNC(C)=NCC;JXYDSQPYAVMBIT-UHFFFAOYSA-N;137.19;0.63;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_P1";;;;;;;0.81;;-0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM446178;MM446178;CCc1nnn(CC)c1N;OVKJJQQKFQAUBC-UHFFFAOYSA-N;140.19;0.44;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNa_SP1";;;;;;;0.04;;-2.54;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM446179;MM446179;N#CC1(CF)NC1C(=O)O;AXGAEQQTKJRCGX-UHFFFAOYSA-N;144.11;-0.73;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_SP2";;;;;;;-1.06;;-8.77;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM446180;MM446180;CC1C(C)C1C=CCC#N;SVMCEESXJPOBFQ-UHFFFAOYSA-N;135.21;2.36;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC5_N0";;;;;;;1.94;;0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM446181;MM446181;CCn1nnc(CO)c1N;IMMHBTFUMJMCOX-UHFFFAOYSA-N;142.16;-0.63;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP1_SP2";;;;;;;-1.06;;-3.82;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM446182;MM446182;NN=c1occ(C(=O)O)o1;NLOPTHAPTQJJHC-UHFFFAOYSA-N;144.09;-0.65;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP2_P1";;;;;;;-1.06;;-8.77;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM446183;MM446183;C=NN=C1CC(C)=C(F)C1;XXOHNCZHEGHOFC-UHFFFAOYSA-N;140.16;2.08;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC4_SC5";;;;;;;2.97;;0.45;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM446184;MM446184;N#Cc1n[nH]c(=NO)o1;WEELXAVECQQTSC-UHFFFAOYSA-N;126.08;-0.84;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP3_SP1";;;;;;;-1.93;;-9.09;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM446185;MM446185;Cn1oc(O)nc1=NO;LBCZKVHFGCRIBH-UHFFFAOYSA-N;131.09;-0.99;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP1_SP2";;;;;;;-1.06;;-8.77;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM446186;MM446186;N#CCC=CC1C(O)C1O;IOEZODJVZQPNEE-UHFFFAOYSA-N;139.15;-0.19;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP2_C5";;;;;;;0.54;;-1.09;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM446187;MM446187;CCNC=NN=COCC;GINFKCKZORIPAP-UHFFFAOYSA-N;143.19;0.6;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nd_Na";;;;;;;0.87;;-1.88;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM446188;MM446188;C#CCc1noc(=NN)o1;GPQGLOMGWPAORH-UHFFFAOYSA-N;139.11;-0.78;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP2_N0";;;;;;;0.06;;-2.21;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM446189;MM446189;C=COC=CC1C(C)C1C;RFVJWCNRWFPRIZ-UHFFFAOYSA-N;138.21;2.56;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC5_C5";;;;;;;2.41;;0.64;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM446190;MM446190;CCC1NC1C=O;MHPYKTVEIRJAIK-UHFFFAOYSA-N;99.13;-0.06;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNd_P2";;;;;;;-0.24;;-3.16;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM446191;MM446191;CC=CC1=CCC(=CC)C1;LGLIGLBXULTUAK-UHFFFAOYSA-N;134.22;3.23;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC2_SC3";;;;;;;4.53;;0.32;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM446192;MM446192;C=CCC=CC1C(C)N1C;LZPYTTBMXPOMEF-UHFFFAOYSA-N;137.23;1.82;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNd_C2";;;;;;;2.83;;0.63;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM446193;MM446193;CCn1nnc(OC)c1C;RKLBAJLZELFCKF-UHFFFAOYSA-N;141.17;0.62;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNa_SP1";;;;;;;0.04;;-2.54;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM446194;MM446194;CC=CC1=CCC(=CF)C1;OFJHCALIVLVAEJ-UHFFFAOYSA-N;138.19;3.14;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC2_SC5";;;;;;;3.6;;0.34;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM446195;MM446195;CC1(C=O)CC(C#N)=NN1;AGIMYGFHIDFBPO-UHFFFAOYSA-N;137.14;-0.18;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNda_SP1";;;;;;;0.04;;-2.73;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM446196;MM446196;CCc1nnn(NC)c1C;RTSZJXICYYHDID-UHFFFAOYSA-N;140.19;0.32;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNa_SP2";;;;;;;-0.24;;-3.24;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM446197;MM446197;CC=C1CC=C(C=NN)C1;RNVQEHHXOMRRRV-UHFFFAOYSA-N;136.2;1.6;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC3_SNd";;;;;;;2.57;;0.53;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM446198;MM446198;CC1C(C=CCC#N)N1C;IOWJPTOCSOQXKE-UHFFFAOYSA-N;136.2;1.16;;;;;DOPC;MDCG;27;0;"MARTINI bead: N0_SNd";;;;;;;1.17;;-1.04;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM446199;MM446199;CCc1nnn(NC)c1N;QVXLWWBNJWRBRT-UHFFFAOYSA-N;141.18;-0.4;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNa_SP2";;;;;;;-0.24;;-3.24;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM446200;MM446200;NN=CC1=CCC(=CF)C1;HCFQMOHQJSDZAS-UHFFFAOYSA-N;140.16;1.5;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNd_SC5";;;;;;;1.64;;0.02;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM446201;MM446201;C=CCN=CN1C(C)C1C;FNQRCTZYSYXFGT-UHFFFAOYSA-N;138.21;1.29;;;;;DOPC;MDCG;27;1;"MARTINI bead: SP1_C5";;;;;;;0.81;;-2;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM446202;MM446202;C=CC1=C(C)C(CC)C=C1;IQSAFVGNQAMSKQ-UHFFFAOYSA-N;134.22;3.08;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC3_SC3";;;;;;;4.27;;0.2;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM446203;MM446203;CC=CC1=CCC(=NN)C1;NJFXQFLYTVXFHC-UHFFFAOYSA-N;136.2;1.6;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC2_SNd";;;;;;;2.83;;0.62;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM446204;MM446204;C=CCC=NN1C(C)C1C;HTGXXNYDHSQLTP-UHFFFAOYSA-N;138.21;1.64;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP1_N0";;;;;;;0.34;;-1.53;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM446205;MM446205;CCC1C=CC(C=O)=C1C;KAOPXHMTBGVTOR-UHFFFAOYSA-N;136.19;2.1;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC3_SNa";;;;;;;2.57;;0.45;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM446206;MM446206;CC=CC1=CCC(=NO)C1;FVIMHDXUQPBOOM-UHFFFAOYSA-N;137.18;2.11;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC2_SNda";;;;;;;2.83;;0.57;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM446207;MM446207;C=COC=NN1C(C)C1C;LCHXIAXREQCGTB-UHFFFAOYSA-N;140.19;1.18;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP1_Na";;;;;;;0.04;;-2.54;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM446208;MM446208;CCC1C=CC(C#N)=C1C;TUEFVDIZMYXTMA-UHFFFAOYSA-N;133.19;2.42;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC3_SN0";;;;;;;2.87;;0.37;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM446209;MM446209;NN=CC1=CCC(=NN)C1;CKULWFHWDSSAPQ-UHFFFAOYSA-N;138.17;-0.03;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNd_SNd";;;;;;;0.87;;-2.11;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM446210;MM446210;C#CCC=CC1C(C)C1C;BYWYZHYPXNMGCC-UHFFFAOYSA-N;134.22;2.47;;;;;DOPC;MDCG;27;0;"MARTINI bead: SN0_C5";;;;;;;1.94;;0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM446211;MM446211;C=CC1=C(C)C(CN)C=C1;UCYFAAHTLXPUNE-UHFFFAOYSA-N;135.21;1.63;;;;;DOPC;MDCG;27;1;"MARTINI bead: SC3_SNd";;;;;;;2.57;;-1.45;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM446212;MM446212;CCC1=COC(=NN)CO1;JZMLMZMKJBISJQ-UHFFFAOYSA-N;142.16;0.56;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNa_SP1";;;;;;;0.04;;-2.54;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM446213;MM446213;C#CCC=CC1C(N)C1N;FUSNEMOIOWSXDH-UHFFFAOYSA-N;136.2;-0.15;;;;;DOPC;MDCG;27;1;"MARTINI bead: SP3_C3";;;;;;;0.6;;-2.81;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM446214;MM446214;C=CC1=C(C)C(CO)C=C1;ALRXGTWRTCXICQ-UHFFFAOYSA-N;136.19;1.67;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC3_SNda";;;;;;;2.57;;0.44;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM446215;MM446215;CC=CC1=CNC(=NC)C1;RFRIZURPARWZIF-UHFFFAOYSA-N;136.2;1.47;;;;;DOPC;MDCG;27;1;"MARTINI bead: SN0_SNd";;;;;;;1.17;;-4.1;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM446216;MM446216;C#CCC=CC1C(N)C1F;BVABQVNTUMQUNT-UHFFFAOYSA-N;139.17;0.86;;;;;DOPC;MDCG;27;1;"MARTINI bead: SP1_C3";;;;;;;1.74;;-0.6;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM446217;MM446217;CC1=C(C=O)C=CC1CO;ZSTJLEYCTMCPNT-UHFFFAOYSA-N;138.17;0.68;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNa_SNda";;;;;;;0.87;;-1.99;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM446218;MM446218;CC=CC1=CN=C(NN)C1;UMFXUWDCNJKYJX-UHFFFAOYSA-N;137.19;0.71;;;;;DOPC;MDCG;27;1;"MARTINI bead: SC4_SP1";;;;;;;1.37;;-1.64;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM446219;MM446219;C#CCC=CC1C(O)C1O;SHMZFVYUSYEFFI-UHFFFAOYSA-N;138.17;-0.08;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP2_C3";;;;;;;1.46;;-0.15;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM446220;MM446220;CC1=C(C#N)C=CC1CO;HSRBZDBPEYRXAF-UHFFFAOYSA-N;135.17;1;;;;;DOPC;MDCG;27;0;"MARTINI bead: SN0_SNda";;;;;;;1.17;;-1.13;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM446221;MM446221;CN=C1CC(C=NN)=CN1;NTKGXBSOPCRNEH-UHFFFAOYSA-N;138.17;-0.16;;;;;DOPC;MDCG;27;1;"MARTINI bead: SNd_SP1";;;;;;;0.04;;-5.33;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM446222;MM446222;C#CCC=CC1C(C)N1C;MLMKCQNTQOHPDV-UHFFFAOYSA-N;135.21;1.27;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_SNd";;;;;;;1.64;;0.03;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM446223;MM446223;CC1=C(C#N)C=CC1CF;LUXUEXJPARLSBK-UHFFFAOYSA-N;137.16;1.98;;;;;DOPC;MDCG;27;0;"MARTINI bead: SN0_SC5";;;;;;;1.94;;0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM446224;MM446224;NN=CC1=CN=C(NN)C1;JUPQUFQCYDQTRS-UHFFFAOYSA-N;139.16;-0.92;;;;;DOPC;MDCG;27;1;"MARTINI bead: SP1_SNd";;;;;;;0.04;;-3.92;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM446225;MM446225;CC=CC=CC1C(C)C1C;CVQVTOKYSJUTIW-UHFFFAOYSA-N;136.24;3.02;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1_SC5";;;;;;;3.68;;0.46;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM446226;MM446226;CCC1C=CC(C=O)=C1N;IAWLZJAMYJKPOL-UHFFFAOYSA-N;137.18;0.99;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC3_SP1";;;;;;;1.74;;0.29;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM446227;MM446227;CC=CC1=COC(=CC)C1;MSMORYPNJCDIKI-UHFFFAOYSA-N;136.19;2.77;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC5_SC5";;;;;;;2.41;;0.64;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM446228;MM446228;CC=CC=CC1C(C)C1N;HDJKREZPPHZIBA-UHFFFAOYSA-N;137.23;1.71;;;;;DOPC;MDCG;27;1;"MARTINI bead: C1_SNd";;;;;;;2.91;;-0.4;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM446229;MM446229;C=CC1=C(C)C(NC)C=C1;QGXZYOYQCISCNU-UHFFFAOYSA-N;135.21;1.65;;;;;DOPC;MDCG;27;1;"MARTINI bead: SNd_SC3";;;;;;;2.57;;-0.5;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM446230;MM446230;CC=CC1=COC(=CF)C1;LINGKPDXDVRHET-UHFFFAOYSA-N;140.16;2.68;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC5_SC5";;;;;;;2.41;;0.64;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM446231;MM446231;N#CC1(C#N)C=CC(=N)N1;ZJQBQRJEZAJJCI-UHFFFAOYSA-N;132.13;-0.09;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP1_SP2";;;;;;;-1.06;;-3.82;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM446232;MM446232;CNC1C=CC(C=O)=C1C;SSFXVNJORVOXNZ-UHFFFAOYSA-N;137.18;0.66;;;;;DOPC;MDCG;27;1;"MARTINI bead: SNd_SNa";;;;;;;0.87;;-3.32;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM446233;MM446233;CC=C1CC(C=NN)=CO1;UOVHWCFTADLZFK-UHFFFAOYSA-N;138.17;1.14;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC5_SNd";;;;;;;1.64;;0.02;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM446234;MM446234;CC1C(C)C1C=CC=NN;FOQXNEKIMIRKCB-UHFFFAOYSA-N;138.21;1.39;;;;;DOPC;MDCG;27;0;"MARTINI bead: SN0_Nd";;;;;;;1.17;;-1.04;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM446235;MM446235;C=CC1=C(C)C(OC)C=C1;JIGPENFKVPBNKJ-UHFFFAOYSA-N;136.19;2.07;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNa_SC3";;;;;;;2.57;;0.45;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM446236;MM446236;NN=CC1=COC(=CF)C1;UPXXMKOTOJUOGV-UHFFFAOYSA-N;142.13;1.05;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNd_SC5";;;;;;;1.64;;0.02;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM446237;MM446237;C=CC1(C#N)CC(C)=NN1;XXLGNUZXCFSWGG-UHFFFAOYSA-N;135.17;0.8;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP1_SNd";;;;;;;0.04;;-2.63;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM446238;MM446238;COC1C=CC(C=O)=C1C;GFXNKHVCLODZJG-UHFFFAOYSA-N;138.17;1.09;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNa_SNa";;;;;;;0.87;;-2.22;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM446239;MM446239;C=CC1=NOC(=NN)CC1;VEBVLKPLVQVUMB-UHFFFAOYSA-N;139.16;0.61;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNda_SN0";;;;;;;1.17;;-1.13;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM446240;MM446240;CC=NN=CC1C(N)C1N;SSHHTDVAISBGPZ-UHFFFAOYSA-N;140.19;-0.65;;;;;DOPC;MDCG;27;1;"MARTINI bead: C5_SP3";;;;;;;-0.33;;-3.71;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM446241;MM446241;COC1C=CC(C#N)=C1C;MYJKEDMKPHRVOV-UHFFFAOYSA-N;135.17;1.41;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNa_SN0";;;;;;;1.17;;-1.18;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM446242;MM446242;CC=CC1=COC(=NO)C1;IMEKRZNBGUFJID-UHFFFAOYSA-N;139.15;1.65;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC5_SNda";;;;;;;1.64;;0.05;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM446243;MM446243;CC1C(C=CC=NN)N1C;GZWFJDNKEIMZQN-UHFFFAOYSA-N;139.2;0.19;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nd_SNd";;;;;;;0.87;;-2.11;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM446244;MM446244;COC1C=CC(C=O)=C1N;XWYGLZQQRWORIP-UHFFFAOYSA-N;139.15;-0.02;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNa_SP1";;;;;;;0.04;;-2.54;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM446245;MM446245;C#CC1=NOC(=NN)CC1;FDYOKUBSBXGRDK-UHFFFAOYSA-N;137.14;0.06;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNda_SN0";;;;;;;1.17;;-1.13;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM446246;MM446246;C#CC(=N)NN=CC=CC;IHTJTCYGYFAQIZ-UHFFFAOYSA-N;135.17;0.75;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_P1";;;;;;;0.81;;-0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM446247;MM446247;C=Cc1ccn(CC)c1C;JDZBOUWZXBEAGB-UHFFFAOYSA-N;135.21;2.46;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC4_SN0";;;;;;;2.5;;0.44;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM446248;MM446248;CN=C1CC(=CC=N)NN1;CVGWMWHVNQKZEO-UHFFFAOYSA-N;138.17;0.05;;;;;DOPC;MDCG;27;1;"MARTINI bead: SP2_SP2";;;;;;;-1.34;;-5.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM446249;MM446249;CC=NN=CC1C(C)N1C;VNXSJICOIMPCOL-UHFFFAOYSA-N;139.2;0.77;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_SNd";;;;;;;1.64;;0.02;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM446250;MM446250;CCn1ccc(C=O)c1C;HZBBAFPLQXEURR-UHFFFAOYSA-N;137.18;1.63;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC4_SNa";;;;;;;2.2;;0.34;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM446251;MM446251;N#CC(C=NN1CC1)=CN;OETZCEZBCBLZOT-UHFFFAOYSA-N;136.16;-0.35;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_SP3";;;;;;;-1.93;;-4.72;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM446252;MM446252;CC=NN=CN1C(C)C1C;VBGFCYSPUMGTGA-UHFFFAOYSA-N;139.2;1.11;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_SP1";;;;;;;0.81;;-0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM446253;MM446253;CCn1ccc(C#N)c1C;XHEYYIGXPMJMGF-UHFFFAOYSA-N;134.18;1.69;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC4_SN0";;;;;;;2.5;;0.44;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM446254;MM446254;CCC12COC(=NN)C1O2;ZOTYVSRARZQSPM-UHFFFAOYSA-N;142.16;-0.16;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNa_SNda";;;;;;;0.87;;-1.99;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM446255;MM446255;CC=CC=NN1C(C)C1C;MULLOLGUMUWQDW-UHFFFAOYSA-N;138.21;1.64;;;;;DOPC;MDCG;27;0;"MARTINI bead: N0_SP1";;;;;;;0.34;;-1.53;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM446256;MM446256;C=Cc1ccn(CC)c1N;PFFHMACKRPRUJE-UHFFFAOYSA-N;136.2;1.73;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNd_SN0";;;;;;;1.17;;-1.04;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM446257;MM446257;CC=CC1=NN=C(NO)C1;DZXIBBVRZCNIHZ-UHFFFAOYSA-N;139.16;0.7;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC5_SP1";;;;;;;0.81;;-0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM446258;MM446258;CC1C(C)N1N=CC=CF;XSEZNFFGWWEODW-UHFFFAOYSA-N;142.18;1.55;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP1_C4";;;;;;;1.37;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM446259;MM446259;CCn1ccc(C=O)c1N;ZOYMESGWCBJXBW-UHFFFAOYSA-N;138.17;0.9;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNd_SNa";;;;;;;0.87;;-1.88;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM446260;MM446260;NC=CC1=NN=C(NO)C1;VFDLWTZEDBHLGK-UHFFFAOYSA-N;140.15;-0.4;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNd_SP1";;;;;;;0.04;;-2.63;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM446261;MM446261;CC1C(C)N1N=CC=NO;FONZMNGNNOFFGN-UHFFFAOYSA-N;141.17;0.52;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP1_P2";;;;;;;-1.06;;-3.82;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM446262;MM446262;CCn1ccc(C#N)c1N;NEYSTZRNRFKHBA-UHFFFAOYSA-N;135.17;0.96;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNd_SN0";;;;;;;1.17;;-1.04;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM446263;MM446263;NN=CC1=NN=C(NO)C1;ZVYKQHVEUQPADW-UHFFFAOYSA-N;141.13;-0.93;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNd_SP1";;;;;;;0.04;;-2.63;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM446264;MM446264;CC#CC=CC1C(C)C1C;ZSSCAWWJXSTFJA-UHFFFAOYSA-N;134.22;2.47;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4_SN0";;;;;;;2.5;;0.44;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM446265;MM446265;C=Cc1ccn(CC)c1O;NYDQNQBWVOMWPO-UHFFFAOYSA-N;137.18;1.86;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC5_SN0";;;;;;;1.94;;0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM446266;MM446266;CC=CC1=NOC(=NN)C1;YTEIPRQFEIXJSC-UHFFFAOYSA-N;139.16;0.61;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC5_SP1";;;;;;;0.81;;-0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM446267;MM446267;C=CNC=NN=C(C)C#N;UASQJKGPWRMKRS-UHFFFAOYSA-N;136.16;0.65;;;;;DOPC;MDCG;27;0;"MARTINI bead: N0_P1";;;;;;;0.34;;-1.53;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM446268;MM446268;CCn1ccc(C#N)c1O;HTJZNALKTDOCCA-UHFFFAOYSA-N;136.15;1.09;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC5_SN0";;;;;;;1.94;;0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM446269;MM446269;NN=C1OCC2(CF)OC12;TXVXOKVPYZFQIA-UHFFFAOYSA-N;146.12;-0.6;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNda_SP1";;;;;;;0.04;;-2.73;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM446270;MM446270;CC#CC=NN1C(C)C1C;HYSXXMMPWDDRJZ-UHFFFAOYSA-N;136.2;1.09;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4_SP1";;;;;;;1.37;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM446271;MM446271;C=Cc1ccn(CC)c1F;FQBAVSYLZXBXDC-UHFFFAOYSA-N;139.17;2.29;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC5_SN0";;;;;;;1.94;;0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM446272;MM446272;CC=CC1=NOC(=NO)C1;FFVUGSLMAJHKDQ-UHFFFAOYSA-N;140.14;1.13;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC5_SP1";;;;;;;0.81;;-0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM446273;MM446273;CCCC#CC1C(C)C1C;PKUPUTXPOUUZLO-UHFFFAOYSA-N;136.24;2.69;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1_SC5";;;;;;;3.68;;0.46;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM446274;MM446274;CCn1ccc(C#N)c1F;SGAKREPZMLYLKV-UHFFFAOYSA-N;138.15;1.52;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC5_SN0";;;;;;;1.94;;0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM446275;MM446275;C=CC12COC(=NN)C1O2;OHGKNBJXYBNROC-UHFFFAOYSA-N;140.14;-0.39;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNda_SNa";;;;;;;0.87;;-1.99;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM446276;MM446276;CCCC#CC1C(C)C1N;JZSFJIGQTNGOMV-UHFFFAOYSA-N;137.23;1.38;;;;;DOPC;MDCG;27;1;"MARTINI bead: C1_SNd";;;;;;;2.91;;-0.11;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM446277;MM446277;C=Cc1ccn(NC)c1C;XNUOVBAQVSJUPP-UHFFFAOYSA-N;136.2;1.61;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNd_SN0";;;;;;;1.17;;-1.04;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM446278;MM446278;CC=CC1=CCC(=NC)N1;VJOODVLPXOOCPY-UHFFFAOYSA-N;136.2;1.47;;;;;DOPC;MDCG;27;1;"MARTINI bead: SC5_SN0";;;;;;;1.94;;-1.61;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM446279;MM446279;C#CC(C)=NN=CNC=C;PMVFDYDGQKYUIW-UHFFFAOYSA-N;135.17;0.76;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_P1";;;;;;;0.81;;-0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM446280;MM446280;CNn1ccc(C=O)c1C;KFZSXUXHUGQSFD-UHFFFAOYSA-N;138.17;0.78;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNd_SNa";;;;;;;0.87;;-1.88;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM446281;MM446281;CC(C)OC=NN;ARXDXRKFGWSKDV-UHFFFAOYSA-N;102.14;0.31;;;;;DOPC;MDCG;27;0;"MARTINI bead: C3_P3";;;;;;;0.6;;-0.8;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM446282;MM446282;CCCC#CC1C(C)C1F;AZRYBCGRRKOECL-UHFFFAOYSA-N;140.2;2.39;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1_SNa";;;;;;;2.91;;0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM446283;MM446283;CNn1ccc(C#N)c1C;ZZIWKAPJKXUBEE-UHFFFAOYSA-N;135.17;0.84;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNd_SN0";;;;;;;1.17;;-1.04;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM446284;MM446284;CC=Cc1coc(=NN)[nH]1;LVBKSRQFWYLUBT-UHFFFAOYSA-N;139.16;0.42;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC5_SP2";;;;;;;0.54;;-1.09;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM446285;MM446285;CCCC#CC1C(N)C1N;CLBWNGADSJXOHI-UHFFFAOYSA-N;138.21;0.07;;;;;DOPC;MDCG;27;1;"MARTINI bead: C1_SP3";;;;;;;0.94;;-1.51;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM446286;MM446286;C=Cc1ccn(NC)c1N;PUBAWGLAODKKCC-UHFFFAOYSA-N;137.19;0.89;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP1_SN0";;;;;;;0.34;;-1.53;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM446287;MM446287;CC=CC1=NC(=CC)CN1;NDJAQFJIPZLVJI-UHFFFAOYSA-N;136.2;1.47;;;;;DOPC;MDCG;27;1;"MARTINI bead: SNd_SP1";;;;;;;0.04;;-4.81;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM446288;MM446288;CCCC#CC1C(N)C1O;LWLLSEJNYDJFJV-UHFFFAOYSA-N;139.2;0.11;;;;;DOPC;MDCG;27;1;"MARTINI bead: C1_SP2";;;;;;;1.8;;-0.51;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM446289;MM446289;CNn1ccc(C=O)c1N;GZDGAIYEOKKFBP-UHFFFAOYSA-N;139.16;0.06;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP1_SNa";;;;;;;0.04;;-2.54;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM446290;MM446290;CC=C1CN=C(C=CN)N1;GVSOHHGYGXHRSM-UHFFFAOYSA-N;137.19;0.36;;;;;DOPC;MDCG;27;1;"MARTINI bead: SNd_SP1";;;;;;;0.04;;-4.19;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM446291;MM446291;CCCC#CC1C(O)C1O;PGWZOHXERZVOCR-UHFFFAOYSA-N;140.18;0.14;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1_SP2";;;;;;;1.8;;0.4;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM446292;MM446292;CNn1ccc(C#N)c1N;DORONBSYEWUNEL-UHFFFAOYSA-N;136.16;0.12;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP1_SN0";;;;;;;0.34;;-1.53;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM446293;MM446293;CCCOC=NN;PGSMSZAZXPKXRG-UHFFFAOYSA-N;102.14;0.32;;;;;DOPC;MDCG;27;0;"MARTINI bead: C3_P3";;;;;;;0.6;;-0.8;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM446294;MM446294;CNCC#CC1C(C)C1N;ZATDDSWDMSBTEF-UHFFFAOYSA-N;138.21;-0.2;;;;;DOPC;MDCG;27;1;"MARTINI bead: P2_SNd";;;;;;;-0.24;;-5.53;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM446295;MM446295;C=Cc1ccn(NC)c1O;SGSFDUHARYEIKX-UHFFFAOYSA-N;138.17;1.01;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP1_SN0";;;;;;;0.34;;-1.53;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM446296;MM446296;COCOC=NN;DXXBPDHIZKMLPG-UHFFFAOYSA-N;104.11;-0.49;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_P1";;;;;;;-1.06;;-3.82;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM446297;MM446297;CNCC#CC1C(C)C1F;BARRMSNAYWAVAK-UHFFFAOYSA-N;141.19;0.81;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_SNa";;;;;;;0.87;;-3.6;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM446298;MM446298;CNn1ccc(C#N)c1O;WPNJQNOGKNAARV-UHFFFAOYSA-N;137.14;0.24;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP1_SN0";;;;;;;0.34;;-1.53;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM446299;MM446299;C=CCOC=NN;RJHROGBFFNXVOF-UHFFFAOYSA-N;100.12;0.09;;;;;DOPC;MDCG;27;0;"MARTINI bead: P3_C4";;;;;;;0.23;;-1.03;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM446300;MM446300;CCCC#CC1C(C)N1C;WOSXBWJVTWVPRT-UHFFFAOYSA-N;137.23;1.49;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1_SNd";;;;;;;2.91;;0.63;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM446301;MM446301;C=Cc1ccn(OC)c1C;WRFXESCEWLCFOM-UHFFFAOYSA-N;137.18;1.5;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNa_SN0";;;;;;;1.17;;-1.18;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM446302;MM446302;NN=COC1CC1;MMXZJWRXHUIKTO-UHFFFAOYSA-N;100.12;0.07;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_SP1";;;;;;;-0.79;;-3.13;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM446303;MM446303;CNCC#CC1C(C)N1C;BIEPBMWXXRENQG-UHFFFAOYSA-N;138.21;-0.09;;;;;DOPC;MDCG;27;1;"MARTINI bead: P2_SNd";;;;;;;-0.24;;-4.83;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM446304;MM446304;COn1ccc(C=O)c1C;WIRUBDRUTDIAQP-UHFFFAOYSA-N;139.15;0.67;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNa_SNa";;;;;;;0.87;;-2.22;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM446305;MM446305;CC=CC1=CCC(=CC)O1;UJBFDFIQVMHKJQ-UHFFFAOYSA-N;136.19;2.77;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC5_SC5";;;;;;;2.41;;0.64;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM446306;MM446306;C=CCC#CC1C(C)C1C;JPGCSXDHCUNBJJ-UHFFFAOYSA-N;134.22;2.47;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC5_C5";;;;;;;2.41;;0.64;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM446307;MM446307;COn1ccc(C#N)c1C;VXBSEJCUWOQDCN-UHFFFAOYSA-N;136.15;0.73;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNa_SN0";;;;;;;1.17;;-1.18;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM446308;MM446308;CC=CC1=CCC(=CF)O1;SFXQCZWHEKTVRH-UHFFFAOYSA-N;140.16;2.68;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC5_SC5";;;;;;;2.41;;0.64;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM446309;MM446309;CC1C(C)C1C#CCC=O;NSTWXPHDEGIVPD-UHFFFAOYSA-N;136.19;1.48;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC5_Na";;;;;;;1.64;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM446310;MM446310;C=Cc1ccn(OC)c1N;HQYZIVJCUWDUCB-UHFFFAOYSA-N;138.17;0.77;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNda_SN0";;;;;;;1.17;;-1.13;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM446311;MM446311;CC(C)CC(C)(C)O;FMLSQAUAAGVTJO-UHFFFAOYSA-N;116.2;1.8;;;;;DOPC;MDCG;27;0;"MARTINI bead: C3_Nda";;;;;;;2.57;;0.44;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM446312;MM446312;CC1C(C)C1C#CCC#N;QTBGOTRBLXVWOC-UHFFFAOYSA-N;133.19;1.81;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC5_N0";;;;;;;1.94;;0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM446313;MM446313;COn1ccc(C=O)c1N;DCWJDAQAIDKVKD-UHFFFAOYSA-N;140.14;-0.06;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNda_SNa";;;;;;;0.87;;-1.99;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM446314;MM446314;CC=CC1=CCC(=NO)O1;XBNDQOILYOIURX-UHFFFAOYSA-N;139.15;1.65;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC5_SNda";;;;;;;1.64;;0.05;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM446315;MM446315;C=CCC#CC1C(C)C1N;USESHAWEAPNPTB-UHFFFAOYSA-N;135.21;1.16;;;;;DOPC;MDCG;27;1;"MARTINI bead: SNd_C3";;;;;;;2.57;;-1.01;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM446316;MM446316;COn1ccc(C#N)c1N;PLLYJPVMYIEFMV-UHFFFAOYSA-N;137.14;;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNda_SN0";;;;;;;1.17;;-1.13;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM446317;MM446317;CC=Cc1c[nH]c(=NN)o1;RPXHWPDDFBAFOL-UHFFFAOYSA-N;139.16;0.42;;;;;DOPC;MDCG;27;0;"MARTINI bead: SN0_SP2";;;;;;;0.06;;-2.21;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM446318;MM446318;C#CCC(=CN=NC)NN;HTCNGOJBLJAENG-UHFFFAOYSA-N;138.17;0.4;;;;;DOPC;MDCG;27;0;"MARTINI bead: C3_P3";;;;;;;0.6;;-0.8;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM446319;MM446319;C=Cc1ccn(OC)c1O;CRVFGMPPDAJBCX-UHFFFAOYSA-N;139.15;0.9;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNda_SN0";;;;;;;1.17;;-1.13;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM446320;MM446320;CC(C)COC=NN;RDDKEXLIOYICFS-UHFFFAOYSA-N;116.16;0.56;;;;;DOPC;MDCG;27;0;"MARTINI bead: C3_P3";;;;;;;0.6;;-0.8;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM446321;MM446321;CC1C(O)C1C#CCC#N;TWQLVXBHPBAAQR-UHFFFAOYSA-N;135.17;0.53;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNda_N0";;;;;;;1.17;;-1.13;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM446322;MM446322;COn1ccc(C#N)c1O;SWLIIWJEUAWJLC-UHFFFAOYSA-N;138.13;0.12;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNda_SN0";;;;;;;1.17;;-1.13;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM446323;MM446323;C=C(C)COC=NN;OSHOIMLVKUZRPC-UHFFFAOYSA-N;114.15;0.48;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4_P1";;;;;;;1.37;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM446324;MM446324;C=CCC#CC1C(C)C1F;ZWRPSFFUTMUCRO-UHFFFAOYSA-N;138.19;2.17;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNa_C3";;;;;;;2.57;;0.45;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM446325;MM446325;C=Cc1ncn(CC)c1C;FCKVHRVMTHOJBX-UHFFFAOYSA-N;136.2;1.85;;;;;DOPC;MDCG;27;0;"MARTINI bead: SN0_SNa";;;;;;;1.17;;-1.17;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM446326;MM446326;CC=Cc1coc(=NO)o1;ZIHCAUQFJOLMSR-UHFFFAOYSA-N;141.13;1.2;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4_SP2";;;;;;;1.09;;-0.37;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM446327;MM446327;CC1C(F)C1C#CCC#N;RCYWXYLOMBYHBV-UHFFFAOYSA-N;137.16;1.51;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNa_N0";;;;;;;1.17;;-1.18;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM446328;MM446328;CCn1cnc(C=O)c1C;JUGMNBPZVORDMI-UHFFFAOYSA-N;138.17;1.02;;;;;DOPC;MDCG;27;0;"MARTINI bead: SN0_SP1";;;;;;;0.34;;-1.53;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM446329;MM446329;C=C(F)COC=NN;PFSJDQSBQQKNIF-UHFFFAOYSA-N;118.11;0.39;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_C5";;;;;;;0.81;;-0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM446330;MM446330;C=CCC#CC1C(N)C1N;BAQKMUKVCRCLAG-UHFFFAOYSA-N;136.2;-0.15;;;;;DOPC;MDCG;27;1;"MARTINI bead: SP3_C3";;;;;;;0.6;;-2.48;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM446331;MM446331;CCn1cnc(C#N)c1C;DMYYJFJYCNFBJM-UHFFFAOYSA-N;135.17;1.08;;;;;DOPC;MDCG;27;0;"MARTINI bead: SN0_SNa";;;;;;;1.17;;-1.18;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM446332;MM446332;Nn1c(O)c(F)oc1=O;WFEQXSUKFRYMRL-UHFFFAOYSA-N;134.07;-1;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP2_SNa";;;;;;;-0.24;;-8.25;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM446333;MM446333;C=CCC#CC1C(N)C1O;ALBMXGVRSSTHDO-UHFFFAOYSA-N;137.18;-0.12;;;;;DOPC;MDCG;27;1;"MARTINI bead: SP2_C3";;;;;;;1.46;;-1.62;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM446334;MM446334;CCn1cnc(C=O)c1N;KASQNRGIZPJLLQ-UHFFFAOYSA-N;139.16;0.3;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP1_SP1";;;;;;;-0.79;;-3.13;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM446335;MM446335;NC=NNC(=O)C(=O)O;SRFZLCOEAQHOFZ-UHFFFAOYSA-N;131.09;-1.91;;;;;DOPC;MDCG;27;0;"MARTINI bead: P3_P1";;;;;;;-1.93;;-9.04;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM446336;MM446336;N#CCC#CC1C(O)C1O;AGJBAUCXVVFBFS-UHFFFAOYSA-N;137.14;-0.74;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP2_N0";;;;;;;0.06;;-2.21;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM446337;MM446337;CCn1cnc(C#N)c1N;YVTNOJAXWGQNFD-UHFFFAOYSA-N;136.16;0.36;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP1_SNa";;;;;;;0.04;;-2.54;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM446338;MM446338;CC(F)=COC=NN;PRBPSCJPMNPZDQ-UHFFFAOYSA-N;118.11;0.74;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_P1";;;;;;;0.81;;-0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM446339;MM446339;C=CCC#CC1C(O)C1F;UPOYZJJPUXIYMQ-UHFFFAOYSA-N;140.16;0.89;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP1_C3";;;;;;;1.74;;0.29;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM446340;MM446340;CC1(C)CCC1(C)O;MDJFQABIQXVYLS-UHFFFAOYSA-N;114.19;1.56;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC3_SNda";;;;;;;2.57;;0.44;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM446341;MM446341;C=NNC(C)CC#N;GBZGIKUMURBXKQ-UHFFFAOYSA-N;111.15;0.49;;;;;DOPC;MDCG;27;0;"MARTINI bead: N0_P1";;;;;;;0.34;;-1.53;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM446342;MM446342;N#CCC#CC1C(O)C1F;PWKCFLURYLUWJL-UHFFFAOYSA-N;139.13;0.23;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP1_N0";;;;;;;0.34;;-1.53;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM446343;MM446343;CCn1cnc(C#N)c1O;JGPPQHNSDZEARS-UHFFFAOYSA-N;137.14;0.48;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNda_SNa";;;;;;;0.87;;-1.99;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM446344;MM446344;C=NNCC(C)C#N;KTTHRAXYMTUQBD-UHFFFAOYSA-N;111.15;0.35;;;;;DOPC;MDCG;27;0;"MARTINI bead: N0_P1";;;;;;;0.34;;-1.53;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM446345;MM446345;C=CCC#CC1C(C)N1C;DXLRBXZYXAANJG-UHFFFAOYSA-N;135.21;1.27;;;;;DOPC;MDCG;27;0;"MARTINI bead: C3_SNd";;;;;;;2.57;;0.53;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM446346;MM446346;C=Cc1ncn(CC)c1F;SILBUVBHDMNPOJ-UHFFFAOYSA-N;140.16;1.69;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNa_SNa";;;;;;;0.87;;-2.22;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM446347;MM446347;CC#CC1=CCC(=CC)C1;WIYLOYGZZAMJNR-UHFFFAOYSA-N;132.21;2.68;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC3_SC3";;;;;;;4.27;;0.2;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM446348;MM446348;NNC(=NCCF)OC=O;FOOXPBAEDFWLLC-UHFFFAOYSA-N;149.13;-1.05;;;;;DOPC;MDCG;27;0;"MARTINI bead: P3_C5";;;;;;;-0.33;;-2.01;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM446349;MM446349;C=Cc1ncn(NC)c1C;DJVJUYJVOZKOLR-UHFFFAOYSA-N;137.19;1.01;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP2_SNa";;;;;;;-0.24;;-3.24;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM446350;MM446350;CC#CC1=CCC(=CF)C1;MVDLVSQONJZUIP-UHFFFAOYSA-N;136.17;2.58;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC3_SC5";;;;;;;3.34;;0.48;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM446351;MM446351;C#CCC#CC1C(C)C1C;PCOGMFIMUHTJQG-UHFFFAOYSA-N;132.21;1.92;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC5_C3";;;;;;;3.34;;0.48;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM446352;MM446352;CNn1cnc(C=O)c1C;WRLHBADSBCKSHU-UHFFFAOYSA-N;139.16;0.18;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP2_SP1";;;;;;;-1.06;;-3.82;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM446353;MM446353;CC#CC1=CCC(=NN)C1;NJMVWFPUSRRMBG-UHFFFAOYSA-N;134.18;1.04;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC3_SNd";;;;;;;2.57;;0.53;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM446354;MM446354;C#CCC#CC1C(C)C1N;PXRAXVQDTJGVRY-UHFFFAOYSA-N;133.19;0.61;;;;;DOPC;MDCG;27;1;"MARTINI bead: SNd_C3";;;;;;;2.57;;-1;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM446355;MM446355;CNn1cnc(C#N)c1C;SPCKIHORFMPQHJ-UHFFFAOYSA-N;136.16;0.24;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP2_SNa";;;;;;;-0.24;;-3.24;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM446356;MM446356;CC#CC1=CCC(=NO)C1;AUEWZOXXEBCVHQ-UHFFFAOYSA-N;135.17;1.56;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC3_SNda";;;;;;;2.57;;0.44;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM446357;MM446357;C#CCC#CC1C(C)C1O;KQASCSPWQTXURU-UHFFFAOYSA-N;134.18;0.64;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNda_C3";;;;;;;2.57;;0.44;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM446358;MM446358;CNn1cnc(C#N)c1N;GFAXSVMEBPNIMC-UHFFFAOYSA-N;137.15;-0.49;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP2_SNa";;;;;;;-0.24;;-3.24;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM446359;MM446359;CC#CC1=CNC(=NC)C1;AWEKUEZSEBFHRH-UHFFFAOYSA-N;134.18;0.92;;;;;DOPC;MDCG;27;1;"MARTINI bead: SNd_SN0";;;;;;;1.17;;-3.45;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM446360;MM446360;C#CCC#CC1C(C)C1F;XAXUJPMJUNFJFI-UHFFFAOYSA-N;136.17;1.62;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNa_C3";;;;;;;2.57;;0.45;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM446361;MM446361;C=Cc1ncn(NC)c1O;ACBCTQSHJOSZQK-UHFFFAOYSA-N;139.16;0.41;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP2_SNa";;;;;;;-0.24;;-3.24;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM446362;MM446362;CC#CC1=CN=C(NN)C1;IMGOSNGQRWOSQZ-UHFFFAOYSA-N;135.17;0.16;;;;;DOPC;MDCG;27;1;"MARTINI bead: SC5_SP1";;;;;;;0.81;;-1.54;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM446363;MM446363;C#CCC#CC1C(N)C1N;PVIWNLQSCZOFJG-UHFFFAOYSA-N;134.18;-0.7;;;;;DOPC;MDCG;27;1;"MARTINI bead: SP3_C3";;;;;;;0.6;;-2.47;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM446364;MM446364;C=Cc1ncn(OC)c1C;DSRNCEGFSZNISA-UHFFFAOYSA-N;138.17;0.89;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNa_SNa";;;;;;;0.87;;-2.22;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM446365;MM446365;CC#CC1=COC(=CC)C1;GXMJRFMQAXGYKT-UHFFFAOYSA-N;134.18;2.22;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC5_SN0";;;;;;;1.94;;0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM446366;MM446366;C#CCC#CC1C(N)C1O;PGTGPHMEVAUHSA-UHFFFAOYSA-N;135.17;-0.67;;;;;DOPC;MDCG;27;1;"MARTINI bead: SP2_C3";;;;;;;1.46;;-1.61;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM446367;MM446367;COn1cnc(C=O)c1C;SZHUSMOZKJHCAL-UHFFFAOYSA-N;140.14;0.06;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNa_SP1";;;;;;;0.04;;-2.54;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM446368;MM446368;CC#CC1=COC(=CF)C1;HRQWZKAULZVINZ-UHFFFAOYSA-N;138.14;2.12;;;;;DOPC;MDCG;27;0;"MARTINI bead: SN0_SC5";;;;;;;1.94;;0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM446369;MM446369;C#CCC#CC1C(O)C1O;PONMUHQRUBQPHK-UHFFFAOYSA-N;136.15;-0.64;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP2_C3";;;;;;;1.46;;-0.15;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM446370;MM446370;COn1cnc(C#N)c1C;AYPONZRDTFOYME-UHFFFAOYSA-N;137.14;0.12;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNa_SNa";;;;;;;0.87;;-2.22;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM446371;MM446371;CCC(C)OC=NN;KEYXHONGYSBTNO-UHFFFAOYSA-N;116.16;0.7;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1_P3";;;;;;;0.94;;0.03;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM446372;MM446372;C#CCC#CC1C(O)C1F;QFBVALBOVWKBEH-UHFFFAOYSA-N;138.14;0.34;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP1_C3";;;;;;;1.74;;0.29;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM446373;MM446373;C=Cc1ncn(OC)c1N;VHBLMRIIZHXYHP-UHFFFAOYSA-N;139.16;0.17;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP1_SNa";;;;;;;0.04;;-2.54;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM446374;MM446374;CC#CC1=COC(=NO)C1;CUZMLCAJGOVVME-UHFFFAOYSA-N;137.14;1.1;;;;;DOPC;MDCG;27;0;"MARTINI bead: SN0_SNda";;;;;;;1.17;;-1.13;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM446375;MM446375;C#CCC#CC1C(C)N1C;IGTYNYCVOAXSDW-UHFFFAOYSA-N;133.19;0.72;;;;;DOPC;MDCG;27;0;"MARTINI bead: C3_SNd";;;;;;;2.57;;0.53;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM446376;MM446376;COn1cnc(C#N)c1N;DEIHJRRFLXLMON-UHFFFAOYSA-N;138.13;-0.6;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP1_SNa";;;;;;;0.04;;-2.54;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM446377;MM446377;CC(CF)OC=NN;OSUXZXJLXPBNDE-UHFFFAOYSA-N;120.13;0.26;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4_P3";;;;;;;0.23;;-1.03;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM446378;MM446378;CC=CC#CC1C(C)C1C;HPCHVIJSIZUWAG-UHFFFAOYSA-N;134.22;2.47;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1_SC5";;;;;;;3.68;;0.46;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM446379;MM446379;C=Cc1cnn(CC)c1C;RFWZHBKBEPHIFZ-UHFFFAOYSA-N;136.2;1.85;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNa_SN0";;;;;;;1.17;;-1.18;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM446380;MM446380;C=CC(C)OC=NN;XTZCEAQHCKRRHB-UHFFFAOYSA-N;114.15;0.48;;;;;DOPC;MDCG;27;0;"MARTINI bead: C3_P3";;;;;;;0.6;;-0.8;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM446381;MM446381;CC=CC#CC1C(C)C1N;YNUCWDQQXQEURX-UHFFFAOYSA-N;135.21;1.16;;;;;DOPC;MDCG;27;1;"MARTINI bead: C1_SNd";;;;;;;2.91;;-0.09;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM446382;MM446382;CC#CC1=NN=C(NO)C1;SCVVCUAXXMXVOY-UHFFFAOYSA-N;137.14;0.15;;;;;DOPC;MDCG;27;0;"MARTINI bead: SN0_SP1";;;;;;;0.34;;-1.53;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM446383;MM446383;CCn1ncc(C=O)c1C;BVTRLDWWMDFELV-UHFFFAOYSA-N;138.17;1.02;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNa_SP1";;;;;;;0.04;;-2.54;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM446384;MM446384;CC=CC#CC1C(C)C1O;JTWCUNGMLGKZFY-UHFFFAOYSA-N;136.19;1.19;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1_SNda";;;;;;;2.91;;0.57;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM446385;MM446385;CC#CC1=NOC(=NN)C1;NFKPDBNMILVOJW-UHFFFAOYSA-N;137.14;0.06;;;;;DOPC;MDCG;27;0;"MARTINI bead: SN0_SP1";;;;;;;0.34;;-1.53;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM446386;MM446386;CCn1ncc(C#N)c1C;UUXMDCWZGXWAHL-UHFFFAOYSA-N;135.17;1.08;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNa_SP1";;;;;;;0.04;;-2.54;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM446387;MM446387;CC=CC#CC1C(C)C1F;SVAQCXNNMNPKNF-UHFFFAOYSA-N;138.19;2.17;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1_SNa";;;;;;;2.91;;0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM446388;MM446388;CC#CC1=NOC(=NO)C1;NKGMUPQGMBVIHB-UHFFFAOYSA-N;138.13;0.57;;;;;DOPC;MDCG;27;0;"MARTINI bead: SN0_SP1";;;;;;;0.34;;-1.53;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM446389;MM446389;C=Cc1cnn(CC)c1N;HURBDVXJKQGGJA-UHFFFAOYSA-N;137.19;1.13;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNda_SN0";;;;;;;1.17;;-1.13;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM446390;MM446390;CC=CC#CC1C(N)C1N;NNQUOUNUOKWVJS-UHFFFAOYSA-N;136.2;-0.15;;;;;DOPC;MDCG;27;1;"MARTINI bead: C1_SP3";;;;;;;0.94;;-1.49;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM446391;MM446391;CC#CC1=CCC(=NC)N1;KWAZSZAEIGFMIM-UHFFFAOYSA-N;134.18;0.92;;;;;DOPC;MDCG;27;1;"MARTINI bead: SN0_SNd";;;;;;;1.17;;-3.22;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM446392;MM446392;CCn1ncc(C=O)c1N;UXWVSQBPZLHFND-UHFFFAOYSA-N;139.16;0.3;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNda_SP1";;;;;;;0.04;;-2.73;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM446393;MM446393;CC=CC#CC1C(N)C1O;SNNMJLJBKXOZTN-UHFFFAOYSA-N;137.18;-0.12;;;;;DOPC;MDCG;27;1;"MARTINI bead: C1_SP2";;;;;;;1.8;;-0.47;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM446394;MM446394;CC#CC1=CCC(NN)=N1;PNVAVRLSZBOOOG-UHFFFAOYSA-N;135.17;0.16;;;;;DOPC;MDCG;27;1;"MARTINI bead: SC5_SP1";;;;;;;0.81;;-1.76;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM446395;MM446395;CCn1ncc(C#N)c1N;UXCCGIWVLMDSPZ-UHFFFAOYSA-N;136.16;0.36;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNda_SP1";;;;;;;0.04;;-2.73;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM446396;MM446396;CC=CC#CC1C(O)C1O;OYDUYHHBTUYNRX-UHFFFAOYSA-N;138.17;-0.08;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1_SP2";;;;;;;1.8;;0.4;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM446397;MM446397;NC=C(C(=O)O)C(F)(F)F;JBNRHDLQTVLVCY-UHFFFAOYSA-N;155.08;0.48;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_C5";;;;;;;0.81;;-6.05;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM446398;MM446398;CC=CC#CC1C(O)C1F;RKKJDMJMUFUWFY-UHFFFAOYSA-N;140.16;0.89;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1_SP1";;;;;;;2.08;;0.48;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM446399;MM446399;C=Cc1cnn(CC)c1F;GTZIZVMRFDUPPA-UHFFFAOYSA-N;140.16;1.69;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNa_SN0";;;;;;;1.17;;-1.18;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM446400;MM446400;NC1C(O)C1C#CC=NO;FZJIOTRCXUOGSZ-UHFFFAOYSA-N;140.14;-1.23;;;;;DOPC;MDCG;27;1;"MARTINI bead: SP2_Nda";;;;;;;-0.24;;-4.76;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM446401;MM446401;CCn1ncc(C#N)c1F;ZXQPBTXETQXRCB-UHFFFAOYSA-N;139.13;0.91;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNa_SP1";;;;;;;0.04;;-2.54;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM446402;MM446402;CC=CCN=CNN=CC;DCBWQOLVQIYLQV-UHFFFAOYSA-N;139.2;1.19;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4_Nd";;;;;;;2.2;;0.32;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM446403;MM446403;C=Cc1cnn(NC)c1C;AQVHMGJMAWYYMN-UHFFFAOYSA-N;137.19;1.01;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP1_SN0";;;;;;;0.34;;-1.53;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM446404;MM446404;CC=CC#CC1C(C)N1C;JMSCEEKKZBOQNX-UHFFFAOYSA-N;135.21;1.27;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1_SNd";;;;;;;2.91;;0.63;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM446405;MM446405;CNn1ncc(C=O)c1C;ZCBMELNHYKXRRV-UHFFFAOYSA-N;139.16;0.18;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP1_SP1";;;;;;;-0.79;;-3.13;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM446406;MM446406;CC1C(C#CC=NN)N1C;NOWOQTQPMWIGPZ-UHFFFAOYSA-N;137.19;-0.36;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNd_P1";;;;;;;0.04;;-2.63;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM446407;MM446407;CNn1ncc(C#N)c1C;MTPSKXJGHKYOKA-UHFFFAOYSA-N;136.16;0.24;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP1_SP1";;;;;;;-0.79;;-3.13;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM446408;MM446408;CC#CC#CC1C(C)C1C;SYNGVLRFORUHIF-UHFFFAOYSA-N;132.21;1.92;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1_SC5";;;;;;;3.68;;0.46;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM446409;MM446409;C=Cc1cnn(NC)c1N;OVUNJGYIYKHXLJ-UHFFFAOYSA-N;138.17;0.28;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP2_SN0";;;;;;;0.06;;-2.21;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM446410;MM446410;CC#CC#CC1C(C)C1N;DBOXQJNTRTUBAJ-UHFFFAOYSA-N;133.19;0.61;;;;;DOPC;MDCG;27;1;"MARTINI bead: C1_SNd";;;;;;;2.91;;-0.04;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM446411;MM446411;CNn1ncc(C#N)c1N;RVYZLIPENZCGNE-UHFFFAOYSA-N;137.15;-0.49;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP2_SP1";;;;;;;-1.06;;-3.82;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM446412;MM446412;CC#CC#CC1C(C)C1O;LGHPJRMJYHHARW-UHFFFAOYSA-N;134.18;0.64;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1_SNda";;;;;;;2.91;;0.57;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM446413;MM446413;O=c1oc(O)c(F)oc1=O;BRGQTLFUJIPHRK-UHFFFAOYSA-N;148.05;-0.56;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP1_SP1";;;;;;;-0.79;;-8.82;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM446414;MM446414;CC#CC#CC1C(C)C1F;HZFKQLFIVIKHMZ-UHFFFAOYSA-N;136.17;1.62;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1_SNa";;;;;;;2.91;;0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM446415;MM446415;C=Cc1cnn(OC)c1C;ZBBDYVLPPVADOA-UHFFFAOYSA-N;138.17;0.89;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNa_SN0";;;;;;;1.17;;-1.18;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM446416;MM446416;CC#CC#CC1C(N)C1N;LECUFVAGNCOBEG-UHFFFAOYSA-N;134.18;-0.7;;;;;DOPC;MDCG;27;1;"MARTINI bead: C1_SP3";;;;;;;0.94;;-1.43;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM446417;MM446417;COn1ncc(C#N)c1C;NJIGRBXXBOEKKA-UHFFFAOYSA-N;137.14;0.12;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNa_SP1";;;;;;;0.04;;-2.54;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM446418;MM446418;CC#CC#CC1C(N)C1O;SREJDADYHFMUMQ-UHFFFAOYSA-N;135.17;-0.67;;;;;DOPC;MDCG;27;1;"MARTINI bead: C1_SP2";;;;;;;1.8;;-0.43;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM446419;MM446419;C=Cc1cnn(OC)c1N;OXZUNCZRFNRSNS-UHFFFAOYSA-N;139.16;0.17;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP1_SN0";;;;;;;0.34;;-1.53;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM446420;MM446420;CC#CC#CC1C(O)C1O;TXHLRHWBCUBUIC-UHFFFAOYSA-N;136.15;-0.64;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1_SP2";;;;;;;1.8;;0.4;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM446421;MM446421;COn1ncc(C#N)c1N;OLPKOBWLJFPTMF-UHFFFAOYSA-N;138.13;-0.6;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP1_SP1";;;;;;;-0.79;;-3.13;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM446422;MM446422;CC#CC#CC1C(O)C1F;MRUNXSSAYMWJPQ-UHFFFAOYSA-N;138.14;0.34;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1_SP1";;;;;;;2.08;;0.48;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM446423;MM446423;C=Cc1nnn(CC)c1C;AHXPMTUADPEARM-UHFFFAOYSA-N;137.19;1.25;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNa_SP1";;;;;;;0.04;;-2.54;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM446424;MM446424;CC#CC#CC1C(F)C1F;QSXXIDJBXAEWLC-UHFFFAOYSA-N;140.13;1.32;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1_SNa";;;;;;;2.91;;0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM446425;MM446425;CCn1nnc(C=O)c1C;HOQGDUNKARHATA-UHFFFAOYSA-N;139.16;0.42;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNa_SP1";;;;;;;0.04;;-2.54;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM446426;MM446426;CC#CC#CC1C(C)N1C;ZZXOBQDKTDKRJE-UHFFFAOYSA-N;133.19;0.72;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1_SNd";;;;;;;2.91;;0.63;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM446427;MM446427;CCn1nnc(C#N)c1C;JBHTZFROHLUHFI-UHFFFAOYSA-N;136.16;0.48;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNa_SP1";;;;;;;0.04;;-2.54;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM446428;MM446428;CC1C(F)C=NN1C;DYWMUTIQQAUIHF-UHFFFAOYSA-N;116.14;0.64;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP1_SP1";;;;;;;-0.79;;-3.13;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM446429;MM446429;C=Cc1nnn(CC)c1N;SSZDIPORDJWVTI-UHFFFAOYSA-N;138.17;0.52;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP1_SP1";;;;;;;-0.79;;-3.13;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM446430;MM446430;CCCC(C)C1C(C)C1N;MHTFMISERURCSM-UHFFFAOYSA-N;141.26;2.02;;;;;DOPC;MDCG;27;1;"MARTINI bead: C1_SNd";;;;;;;2.91;;-0.43;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM446431;MM446431;CCn1nnc(C=O)c1N;HIIQTSRCGSGWMH-UHFFFAOYSA-N;140.15;-0.31;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP1_SP1";;;;;;;-0.79;;-3.13;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM446432;MM446432;CCCC(O)C1C(C)C1N;QLSKXFJJPCNOGD-UHFFFAOYSA-N;143.23;0.74;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nda_SNd";;;;;;;0.87;;-4.21;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM446433;MM446433;CCn1nnc(C#N)c1N;RNLQWLCXEGCPQS-UHFFFAOYSA-N;137.15;-0.25;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP1_SP1";;;;;;;-0.79;;-3.13;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM446434;MM446434;CCCC(O)C1C(C)C1O;FLFKCNXTHOGDDN-UHFFFAOYSA-N;144.21;0.77;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda_SNda";;;;;;;0.87;;-2.07;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM446435;MM446435;C#CC1(C#N)OC1C(=O)O;OUJFNLNKJMWALA-UHFFFAOYSA-N;137.09;-0.63;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_SP1";;;;;;;-0.79;;-8.82;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM446436;MM446436;NCCC(N)C1C(N)C1N;ZFSLNBVAEVOPLW-UHFFFAOYSA-N;144.22;-2.05;;;;;DOPC;MDCG;27;1;"MARTINI bead: P3_SP3";;;;;;;-3.07;;-8.74;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM446437;MM446437;NN=c1nnoc(O)c1F;XOJJPBZBLMLTNU-UHFFFAOYSA-N;146.08;-1.31;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP2_SP2";;;;;;;-1.34;;-9.56;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM446438;MM446438;NCCC(N)C1C(N)C1F;OKUYLRQYJRHAJM-UHFFFAOYSA-N;147.2;-1.04;;;;;DOPC;MDCG;27;1;"MARTINI bead: P3_SP1";;;;;;;-1.93;;-7.34;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM446439;MM446439;C=Cc1nnn(NC)c1C;QQCMYJYEDONRDO-UHFFFAOYSA-N;138.17;0.4;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP2_SP1";;;;;;;-1.06;;-3.82;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM446440;MM446440;CCCC(O)C1C(O)C1O;VWWOEMBUEOULOK-UHFFFAOYSA-N;146.19;-0.5;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda_SP2";;;;;;;-0.24;;-3.31;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM446441;MM446441;CNn1nnc(C#N)c1C;KBPCLXJAFXEHTK-UHFFFAOYSA-N;137.15;-0.37;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP2_SP1";;;;;;;-1.06;;-3.82;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM446442;MM446442;CCCN(C)C1C(C)C1C;HQQDKMAKPZZIDW-UHFFFAOYSA-N;141.26;1.98;;;;;DOPC;MDCG;27;1;"MARTINI bead: C5_SC5";;;;;;;2.41;;-0.58;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM446443;MM446443;C=Cc1nnn(NC)c1N;KMRCIHWIGSVBEG-UHFFFAOYSA-N;139.16;-0.32;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP2_SP1";;;;;;;-1.06;;-3.82;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM446444;MM446444;CCCN(C)C1C(C)C1N;QLRKOBHYRTUKPK-UHFFFAOYSA-N;142.25;0.67;;;;;DOPC;MDCG;27;1;"MARTINI bead: C5_SNd";;;;;;;1.64;;-2.01;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM446445;MM446445;CC1CC(C)C1(C)O;BCSJHTPWYRULPB-UHFFFAOYSA-N;114.19;1.41;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC3_SNda";;;;;;;2.57;;0.44;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM446446;MM446446;CCCN(C)C1C(C)C1O;RMXBPTYLZYVUBI-UHFFFAOYSA-N;143.23;0.71;;;;;DOPC;MDCG;27;1;"MARTINI bead: C5_SNda";;;;;;;1.64;;-1.89;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM446447;MM446447;C=Cc1nnn(OC)c1C;DNZORJWDPHCXSN-UHFFFAOYSA-N;139.16;0.29;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP1_SP1";;;;;;;-0.79;;-3.13;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM446448;MM446448;CCCC(N)C1C(C)N1C;KJZLHOGQLJLZCR-UHFFFAOYSA-N;142.25;0.82;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_SNd";;;;;;;0.87;;-4.33;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM446449;MM446449;COn1nnc(C#N)c1C;QNDATXLBGSFPHW-UHFFFAOYSA-N;138.13;-0.48;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP1_SP1";;;;;;;-0.79;;-3.13;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM446450;MM446450;CC(C)C(C)C(C)(C)O;FTPXXARYDFWPGE-UHFFFAOYSA-N;130.23;2.05;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1_Nda";;;;;;;2.91;;0.57;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM446451;MM446451;C#CC1=C(C)C(CC)C=C1;KWIJXFOJKRXLTA-UHFFFAOYSA-N;132.21;2.53;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC3_SC5";;;;;;;3.34;;0.48;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM446452;MM446452;C=CCC(C)C1C(C)C1C;SITXACYHAGZRGA-UHFFFAOYSA-N;138.25;3.1;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1_SC5";;;;;;;3.68;;0.46;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM446453;MM446453;C#CC1=C(C)C(CN)C=C1;QMNSEUIDSWFIPW-UHFFFAOYSA-N;133.19;1.08;;;;;DOPC;MDCG;27;1;"MARTINI bead: SC5_SNd";;;;;;;1.64;;-2.62;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM446454;MM446454;CC(CC=O)C1C(C)C1C;QTAVRLKTZQYRGW-UHFFFAOYSA-N;140.23;2.11;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_SC5";;;;;;;2.41;;0.64;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM446455;MM446455;C#CC1=C(C)C(CO)C=C1;WSUIJIJNXRBGTQ-UHFFFAOYSA-N;134.18;1.11;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC5_SNda";;;;;;;1.64;;0.05;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM446456;MM446456;C=CCC(N)C1C(C)C1C;QIRJOUYKXMGKPD-UHFFFAOYSA-N;139.24;1.79;;;;;DOPC;MDCG;27;1;"MARTINI bead: SC5_Nd";;;;;;;1.64;;-2.92;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM446457;MM446457;C#CC1=C(C)C(NC)C=C1;NKICOAZMDKAUOU-UHFFFAOYSA-N;133.19;1.09;;;;;DOPC;MDCG;27;1;"MARTINI bead: SNd_SC5";;;;;;;1.64;;-1.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM446458;MM446458;CCC(C)(O)CC(C)C;INMGJWCKWKKMPN-UHFFFAOYSA-N;130.23;2.19;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda_C3";;;;;;;2.57;;0.44;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM446459;MM446459;C#CC1=C(C)C(OC)C=C1;PFABWOPVFOMDQH-UHFFFAOYSA-N;134.18;1.52;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNa_SC5";;;;;;;1.64;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM446460;MM446460;C=CCC(C)C1C(C)C1N;SCNJAEMAPNBXBY-UHFFFAOYSA-N;139.24;1.79;;;;;DOPC;MDCG;27;1;"MARTINI bead: C1_SNd";;;;;;;2.91;;-0.43;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM446461;MM446461;C#Cc1ccn(CC)c1C;KOTMUGJLPNYAQM-UHFFFAOYSA-N;133.19;1.8;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC4_SN0";;;;;;;2.5;;0.44;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM446462;MM446462;C=CC(C)(C)C(O)CC;PQBIKKCJWFRCPD-UHFFFAOYSA-N;128.22;1.97;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda_C2";;;;;;;2.83;;0.57;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM446463;MM446463;C=CCC(O)C1C(N)C1N;XZGMUPXPQVRKEN-UHFFFAOYSA-N;142.2;-0.79;;;;;DOPC;MDCG;27;1;"MARTINI bead: SP3_Nda";;;;;;;-1.1;;-5.7;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM446464;MM446464;C=CCC(N)C1C(O)C1O;KVYPRBMOLZGVGX-UHFFFAOYSA-N;143.19;-0.76;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_SP2";;;;;;;-0.24;;-5.44;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM446465;MM446465;CC(NC=N)C1C(C)C1C;AAEBUXTXAKORCF-UHFFFAOYSA-N;140.23;1.47;;;;;DOPC;MDCG;27;1;"MARTINI bead: P2_SC5";;;;;;;0.54;;-5.23;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM446466;MM446466;CC(NC=N)C1C(C)C1F;FVUNMMQUHJASMB-UHFFFAOYSA-N;144.19;1.18;;;;;DOPC;MDCG;27;1;"MARTINI bead: P2_SNa";;;;;;;-0.24;;-7.3;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM446467;MM446467;C=NNC(C)C1C(C)C1F;CWYHOEYTHIJJAB-UHFFFAOYSA-N;144.19;1.18;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nd_SNa";;;;;;;0.87;;-1.88;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM446468;MM446468;C=COC(C)C1C(C)C1N;CKHHXJHPLPNHNT-UHFFFAOYSA-N;141.21;1.13;;;;;DOPC;MDCG;27;1;"MARTINI bead: C5_SNd";;;;;;;1.64;;-2.49;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM446469;MM446469;C=COC(C)C1C(N)C1N;DWPWSTGDJAYHLX-UHFFFAOYSA-N;142.2;-0.18;;;;;DOPC;MDCG;27;1;"MARTINI bead: C5_SP3";;;;;;;-0.33;;-4.02;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM446470;MM446470;C=CCC(=NC)NN=C;PGSRKGUSVCLYMK-UHFFFAOYSA-N;125.18;0.8;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_P1";;;;;;;0.81;;-0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM446471;MM446471;CC1C(N)C1N(C)NC=O;FVSJLPJACNSZMO-UHFFFAOYSA-N;143.19;-1.08;;;;;DOPC;MDCG;27;1;"MARTINI bead: SNd_P4";;;;;;;-1.19;;-6.24;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM446472;MM446472;CN(NC=O)C1C(O)C1O;MFPHZLQQRXFGHJ-UHFFFAOYSA-N;146.15;-2.32;;;;;DOPC;MDCG;27;0;"MARTINI bead: P4_SP2";;;;;;;-2.29;;-5.95;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM446473;MM446473;CC(CC#N)C1C(C)N1C;LXLXNBHTWIQYOG-UHFFFAOYSA-N;138.21;1.24;;;;;DOPC;MDCG;27;0;"MARTINI bead: N0_SNd";;;;;;;1.17;;-1.04;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM446474;MM446474;C=CCC(N)C1C(C)N1C;CVJNBYMQIKZEHC-UHFFFAOYSA-N;140.23;0.59;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_SNd";;;;;;;0.87;;-4.29;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM446475;MM446475;CC(NC=N)C1C(C)N1C;KXMUYUFFTJXORK-UHFFFAOYSA-N;141.22;0.27;;;;;DOPC;MDCG;27;1;"MARTINI bead: P2_SNd";;;;;;;-0.24;;-7.01;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM446476;MM446476;C#CCC(C)C1C(C)C1C;PMMMVVHMBNAFDD-UHFFFAOYSA-N;136.24;2.55;;;;;DOPC;MDCG;27;0;"MARTINI bead: C3_SC5";;;;;;;3.34;;0.48;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM446477;MM446477;Cn1c(F)c(N)oc1=N;FKYXKMKDQGNPNM-UHFFFAOYSA-N;131.11;-0.18;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP1_SP1";;;;;;;-0.79;;-3.13;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM446478;MM446478;C#CCC(C)C1C(C)C1N;GKLHUSKAIRVAKG-UHFFFAOYSA-N;137.23;1.24;;;;;DOPC;MDCG;27;1;"MARTINI bead: C3_SNd";;;;;;;2.57;;-1.38;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM446479;MM446479;C#CC1CC(=O)C(=N)N1;VLHRTYPDXIZRGW-UHFFFAOYSA-N;122.13;-0.47;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNd_SP2";;;;;;;-0.24;;-3.16;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM446480;MM446480;C#CCC(C)C1C(N)C1N;DRUZNCQLZOQYAJ-UHFFFAOYSA-N;138.21;-0.07;;;;;DOPC;MDCG;27;1;"MARTINI bead: C3_SP3";;;;;;;0.6;;-2.84;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM446481;MM446481;C#CCC(F)C1C(N)C1O;NNEZBTGKGSFLRZ-UHFFFAOYSA-N;143.16;-0.33;;;;;DOPC;MDCG;27;1;"MARTINI bead: SP2_Na";;;;;;;-0.24;;-5.12;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM446482;MM446482;C#CCC(N)C1C(N)C1F;RLASJXBTXLKVQV-UHFFFAOYSA-N;142.18;-0.37;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_SP1";;;;;;;0.04;;-4.96;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM446483;MM446483;C#CCC(N)C1C(C)N1C;KCVUZGAFBLPAQI-UHFFFAOYSA-N;138.21;0.04;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_SNd";;;;;;;0.87;;-4;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM446484;MM446484;CCN1N=CC(F)C1C;MTKGYBBPOZGVIV-UHFFFAOYSA-N;130.17;1.03;;;;;DOPC;MDCG;27;0;"MARTINI bead: SN0_SP1";;;;;;;0.34;;-1.53;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM446485;MM446485;C=C(CCC)C1C(C)C1C;XQFDHEOXMJYQNH-UHFFFAOYSA-N;138.25;3.24;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1_SC5";;;;;;;3.68;;0.46;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM446486;MM446486;CCCC(=O)C1C(C)C1C;SGDMVZUZDRWWIT-UHFFFAOYSA-N;140.23;2.26;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_SC5";;;;;;;1.64;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM446487;MM446487;C=C(CCC)C1C(C)C1N;ZHWROIJNQVJCQR-UHFFFAOYSA-N;139.24;1.94;;;;;DOPC;MDCG;27;1;"MARTINI bead: C1_SNd";;;;;;;2.91;;-0.39;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM446488;MM446488;C=C(CCC)C1C(N)C1N;LEISJZOPIPAKFP-UHFFFAOYSA-N;140.23;0.63;;;;;DOPC;MDCG;27;1;"MARTINI bead: C1_SP3";;;;;;;0.94;;-1.83;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM446489;MM446489;C=C(CCN)C1C(N)C1N;DCVPGJKSXNFGSG-UHFFFAOYSA-N;141.22;-0.82;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_SP3";;;;;;;-1.1;;-6.72;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM446490;MM446490;C=C(CCN)C1C(N)C1O;ITOSJNLWGBRVCY-UHFFFAOYSA-N;142.2;-0.79;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_SP2";;;;;;;-0.24;;-5.95;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM446491;MM446491;CCNC(=N)C1C(C)C1C;VNUYVJAXNFMXTL-UHFFFAOYSA-N;140.23;1.48;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_SC5";;;;;;;1.64;;-4.93;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM446492;MM446492;CCNC(=N)C1C(C)C1F;WMXLYFBJPKABSW-UHFFFAOYSA-N;144.19;1.18;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_SNa";;;;;;;0.87;;-6.21;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM446493;MM446493;CCNC(=N)C1C(N)C1N;QVSCCVFJDVOXNG-UHFFFAOYSA-N;142.21;-1.14;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_SP3";;;;;;;-1.1;;-7.99;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM446494;MM446494;C=C(CCC)C1C(C)N1C;YPKTVUUXQMSORO-UHFFFAOYSA-N;139.24;2.05;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1_SNd";;;;;;;2.91;;0.66;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM446495;MM446495;CCCC(=N)N1C(C)C1C;NJAUDOCOYKQVSB-UHFFFAOYSA-N;140.23;1.86;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_SP1";;;;;;;0.04;;-6.33;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM446496;MM446496;CCOC(=O)N1C(C)C1C;XLGZHPPWCHEJFM-UHFFFAOYSA-N;143.19;1.24;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_SP1";;;;;;;0.04;;-2.54;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM446497;MM446497;C=CCC(=O)C1C(C)C1C;UMURBVVSFPIIJK-UHFFFAOYSA-N;138.21;2.03;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC5_Na";;;;;;;1.64;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM446498;MM446498;CC1C(C)C1C(=O)CC#N;NHKWXRWJKRLKQZ-UHFFFAOYSA-N;137.18;1.37;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC5_Na";;;;;;;1.64;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM446499;MM446499;C=CCC(=C)C1C(C)C1N;NIFMBJITUDHGDX-UHFFFAOYSA-N;137.23;1.71;;;;;DOPC;MDCG;27;1;"MARTINI bead: SNd_C1";;;;;;;2.91;;-0.39;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM446500;MM446500;C=CCC(=C)C1C(N)C1N;DRNJFJBHEDHBCY-UHFFFAOYSA-N;138.21;0.4;;;;;DOPC;MDCG;27;1;"MARTINI bead: SP3_C1";;;;;;;0.94;;-1.83;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM446501;MM446501;C=C(CC#N)C1C(O)C1O;VSUNKEZNOGQARJ-UHFFFAOYSA-N;139.15;-0.19;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP2_N0";;;;;;;0.06;;-2.21;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM446502;MM446502;C=CNC(=O)C1C(C)C1C;HBIFVSWGILEHGZ-UHFFFAOYSA-N;139.2;1.15;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC5_P1";;;;;;;0.81;;-0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM446503;MM446503;C#CC1=NNC(C#N)C1;HXIBUTUZADIWDZ-UHFFFAOYSA-N;119.13;-0.14;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP1_SP1";;;;;;;-0.79;;-3.13;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM446504;MM446504;C=C(NC=N)C1C(C)C1N;QTPPUGRBVBGITQ-UHFFFAOYSA-N;139.2;0.29;;;;;DOPC;MDCG;27;1;"MARTINI bead: SNd_Nd";;;;;;;0.87;;-6.01;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM446505;MM446505;C=C(NC=N)C1C(C)C1F;RVFWIOPIKCIYSI-UHFFFAOYSA-N;142.18;1.3;;;;;DOPC;MDCG;27;1;"MARTINI bead: SNa_Nd";;;;;;;0.87;;-5.76;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM446506;MM446506;C=C(NC=N)C1C(N)C1N;ATRQUSDZHTUOLY-UHFFFAOYSA-N;140.19;-1.02;;;;;DOPC;MDCG;27;1;"MARTINI bead: SP3_Nd";;;;;;;-1.1;;-7.63;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM446507;MM446507;N=CNC(=N)C1C(N)C1O;CKVIEQUVEGRISW-UHFFFAOYSA-N;142.16;-1.52;;;;;DOPC;MDCG;27;1;"MARTINI bead: SP2_P2";;;;;;;-1.34;;-6.29;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM446508;MM446508;C=CNC(=N)C1C(O)C1O;JHAFKCPPJPOJAX-UHFFFAOYSA-N;142.16;-0.95;;;;;DOPC;MDCG;27;1;"MARTINI bead: SP2_Nd";;;;;;;-0.24;;-6.64;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM446509;MM446509;C=CC1C(C)C1CC#CC;RUEHXJBIJPHRLS-UHFFFAOYSA-N;134.22;2.47;;;;;DOPC;MDCG;27;0;"MARTINI bead: C3_SC4";;;;;;;3.9;;0.47;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM446510;MM446510;C=COC(=C)C1C(C)C1C;PDSLROPTWCQTKC-UHFFFAOYSA-N;138.21;2.56;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC5_C3";;;;;;;3.34;;0.48;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM446511;MM446511;CC#CCC1C(O)C1C#N;BOVKTJCSUPUBON-UHFFFAOYSA-N;135.17;0.53;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4_SP2";;;;;;;1.09;;-0.38;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM446512;MM446512;C=COC(=C)C1C(C)C1N;RTCUNBNUYASCEZ-UHFFFAOYSA-N;139.2;1.25;;;;;DOPC;MDCG;27;1;"MARTINI bead: SNd_C3";;;;;;;2.57;;-1.26;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM446513;MM446513;CC#CCC1C(C)N1C=N;GAZMLOTUMLSTJA-UHFFFAOYSA-N;136.2;1.08;;;;;DOPC;MDCG;27;1;"MARTINI bead: C4_SP1";;;;;;;1.37;;-2.62;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM446514;MM446514;C=COC(=C)C1C(C)C1O;CFWLJOKIYAEYJN-UHFFFAOYSA-N;140.18;1.29;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNda_C3";;;;;;;2.57;;0.44;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM446515;MM446515;CC#CCC1C(C)N1C=O;CUGOCELGLZSOEN-UHFFFAOYSA-N;137.18;0.63;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4_SP1";;;;;;;1.37;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM446516;MM446516;C=COC(=C)C1C(N)C1N;HIFXIGQOSKNJAD-UHFFFAOYSA-N;140.19;-0.06;;;;;DOPC;MDCG;27;1;"MARTINI bead: SP3_C3";;;;;;;0.6;;-2.73;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM446517;MM446517;C=NN1C(C)C1CC#CC;XNTSLPBNFITYTR-UHFFFAOYSA-N;136.2;1.09;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4_SP1";;;;;;;1.37;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM446518;MM446518;C=C(CC#N)C1C(C)N1C;YOLWYNLWBUTQBN-UHFFFAOYSA-N;136.2;1.16;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNd_N0";;;;;;;1.17;;-1.04;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM446519;MM446519;C#CC1C(C)C1CC#CC;NXWOXDCJQOAOFA-UHFFFAOYSA-N;132.21;1.92;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4_SC5";;;;;;;2.97;;0.45;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM446520;MM446520;CCCNN=CC(F)(F)F;DNDLAEYNUSTQEI-UHFFFAOYSA-N;154.14;1.53;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nd_N0";;;;;;;1.17;;-1.04;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM446521;MM446521;COCC=NOC(=N)NN;WYRSXYCLXXAAMR-UHFFFAOYSA-N;146.15;-0.97;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_P3";;;;;;;-1.1;;-4.2;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM446522;MM446522;C=CNC(=O)N1C(C)C1C;CFIVPKRHBVTYPC-UHFFFAOYSA-N;140.19;0.93;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP1_P1";;;;;;;-0.79;;-3.13;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM446523;MM446523;C#CC1C(CC#CC)N1C;DJKVJWCJQHADHH-UHFFFAOYSA-N;133.19;0.72;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4_SP1";;;;;;;1.37;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM446524;MM446524;C=NNC(=O)N1C(C)C1C;BKDFJCIQXQPCSW-UHFFFAOYSA-N;141.17;0.4;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP1_P1";;;;;;;-0.79;;-3.13;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM446525;MM446525;CCC=CC1C(C)C1CC;CBNBZPXTWCUWPY-UHFFFAOYSA-N;138.25;3.24;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1_SC3";;;;;;;4.61;;0.31;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM446526;MM446526;C=NOC(=N)N1C(C)C1C;WCUOGYNGAAMNLX-UHFFFAOYSA-N;141.17;0.65;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP1_P1";;;;;;;-0.79;;-3.13;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM446527;MM446527;CCC1C(C)C1C=CCO;LGWFIIQPXZPRLK-UHFFFAOYSA-N;140.23;1.83;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC3_Nda";;;;;;;2.57;;0.44;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM446528;MM446528;C=NOC(=O)N1C(C)C1C;ZBCFTXPXEIFMHM-UHFFFAOYSA-N;142.16;0.83;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP1_P1";;;;;;;-0.79;;-3.13;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM446529;MM446529;CCC=CC1C(C)C1CN;OGTZGUKWTGQPSR-UHFFFAOYSA-N;139.24;1.79;;;;;DOPC;MDCG;27;1;"MARTINI bead: C1_SNd";;;;;;;2.91;;-0.54;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM446530;MM446530;CC1C(C=CCN)C1CN;NLWJDDYZWBHPNT-UHFFFAOYSA-N;140.23;0.34;;;;;DOPC;MDCG;27;1;"MARTINI bead: SNd_Nd";;;;;;;0.87;;-5.01;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM446531;MM446531;C#CCC(=O)C1C(C)C1C;DMNVRPYSMWPLRS-UHFFFAOYSA-N;136.19;1.48;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC5_Na";;;;;;;1.64;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM446532;MM446532;CC1C(C=CCF)C1CF;DKEUTOCUWBFQHX-UHFFFAOYSA-N;146.18;2.36;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC5_C4";;;;;;;2.97;;0.45;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM446533;MM446533;C#CCC(=C)C1C(C)C1N;YSASGNQAMZHJOE-UHFFFAOYSA-N;135.21;1.16;;;;;DOPC;MDCG;27;1;"MARTINI bead: SNd_C4";;;;;;;2.2;;-2.04;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM446534;MM446534;CCC=CC1C(N)C1CC;WSKKXECTGFHGCW-UHFFFAOYSA-N;139.24;1.94;;;;;DOPC;MDCG;27;1;"MARTINI bead: C1_SNd";;;;;;;2.91;;-0.39;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM446535;MM446535;C#CCC(=O)C1C(C)C1O;UUAZCRCUVFQVIG-UHFFFAOYSA-N;138.17;0.21;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNda_Na";;;;;;;0.87;;-1.99;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM446536;MM446536;C#CCC(=C)C1C(N)C1N;LNEVZDSXEYXABU-UHFFFAOYSA-N;136.2;-0.15;;;;;DOPC;MDCG;27;1;"MARTINI bead: SP3_C4";;;;;;;0.23;;-3.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM446537;MM446537;CCC=CC1C(N)C1CN;FATPTPOKYSRUSC-UHFFFAOYSA-N;140.23;0.48;;;;;DOPC;MDCG;27;1;"MARTINI bead: C1_SP2";;;;;;;1.8;;-1.54;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM446538;MM446538;NCC1C(O)C1C=CCO;LFKGHOBZHHJYBA-UHFFFAOYSA-N;143.19;-0.9;;;;;DOPC;MDCG;27;1;"MARTINI bead: SP2_Nda";;;;;;;-0.24;;-5.71;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM446539;MM446539;C#CCC(=C)C1C(N)C1O;AUNGBPFMVCQKCZ-UHFFFAOYSA-N;137.18;-0.12;;;;;DOPC;MDCG;27;1;"MARTINI bead: SP2_C4";;;;;;;1.09;;-2.25;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM446540;MM446540;NCC1C(O)C1C=CCF;QKBZQKXWYCXZGT-UHFFFAOYSA-N;145.18;0.08;;;;;DOPC;MDCG;27;1;"MARTINI bead: SP2_C4";;;;;;;1.09;;-2.74;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM446541;MM446541;C#CCC(=O)C1C(O)C1O;YREBRLDWYMBMSK-UHFFFAOYSA-N;140.14;-1.07;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP2_Na";;;;;;;-0.24;;-3.24;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM446542;MM446542;CCC1C(F)C1C=CCF;SKRYYGQCIOJROO-UHFFFAOYSA-N;146.18;2.51;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC5_C4";;;;;;;2.97;;0.45;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM446543;MM446543;C#CCC(=C)C1C(C)N1C;SSCIHVTXPIYKEW-UHFFFAOYSA-N;135.21;1.27;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNd_C5";;;;;;;1.64;;0.03;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM446544;MM446544;OCC1C(F)C1C=CCF;HOHKXKYNHRZLSM-UHFFFAOYSA-N;148.15;1.09;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP1_C4";;;;;;;1.37;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM446545;MM446545;COC(=N)NC(=N)C(F)F;FQCZADXCSSAVBK-UHFFFAOYSA-N;151.12;0.4;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_N0";;;;;;;0.06;;-2.21;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM446546;MM446546;CCC1C(C)C1C=COC;FONXOLAFKXTQPE-UHFFFAOYSA-N;140.23;2.44;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC3_C5";;;;;;;3.34;;0.48;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM446547;MM446547;C#CCC(=N)N1C(C)C1C;RXYWPFWXMVZRNB-UHFFFAOYSA-N;136.2;1.08;;;;;DOPC;MDCG;27;1;"MARTINI bead: SP1_P1";;;;;;;-0.79;;-5.23;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM446548;MM446548;CCC=CC1C(C)C1NC;HWWRLPAABOUKMS-UHFFFAOYSA-N;139.24;1.81;;;;;DOPC;MDCG;27;1;"MARTINI bead: C1_SNd";;;;;;;2.91;;-0.58;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM446549;MM446549;C#CCC(=O)N1C(C)C1C;DUPYKKNBCRRFBA-UHFFFAOYSA-N;137.18;0.63;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP1_P2";;;;;;;-1.06;;-3.82;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM446550;MM446550;CNC1C(O)C1C=CCF;JIBQMPHLWYTABR-UHFFFAOYSA-N;145.18;0.09;;;;;DOPC;MDCG;27;1;"MARTINI bead: SP2_C4";;;;;;;1.09;;-2.32;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM446551;MM446551;CC=CC(C)C1C(C)C1F;DWDMIFDCHUVIMS-UHFFFAOYSA-N;142.22;2.8;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1_SNa";;;;;;;2.91;;0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM446552;MM446552;CNC1C(F)C1C=CCN;YBNZTTONFMFWQF-UHFFFAOYSA-N;144.19;0.06;;;;;DOPC;MDCG;27;1;"MARTINI bead: SP1_Nd";;;;;;;0.04;;-4.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM446553;MM446553;CC=CC(C)C1C(N)C1N;RJKNXUPCXDKHGZ-UHFFFAOYSA-N;140.23;0.48;;;;;DOPC;MDCG;27;1;"MARTINI bead: C1_SP3";;;;;;;0.94;;-1.87;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM446554;MM446554;C#CCC=NOC(=N)NN;RYEQNQLAYPTNFN-UHFFFAOYSA-N;140.15;-0.59;;;;;DOPC;MDCG;27;0;"MARTINI bead: P3_C5";;;;;;;-0.33;;-2.01;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM446555;MM446555;CC=CC(N)C1C(N)C1N;UWDMLKLQDMCQAE-UHFFFAOYSA-N;141.22;-0.83;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_SP3";;;;;;;-1.1;;-6.01;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM446556;MM446556;CCC=CC1C(CC)N1C;PRYNWXCFKHRKME-UHFFFAOYSA-N;139.24;2.05;;;;;DOPC;MDCG;27;0;"MARTINI bead: C3_SNd";;;;;;;2.57;;0.56;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM446557;MM446557;CC=CC(C)C1C(N)C1F;SEUIRIODMVZJOY-UHFFFAOYSA-N;143.21;1.49;;;;;DOPC;MDCG;27;1;"MARTINI bead: C1_SP1";;;;;;;2.08;;0.16;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM446558;MM446558;CCC1C(C=CCN)N1C;HOZCPFGNUIHGKH-UHFFFAOYSA-N;140.23;0.59;;;;;DOPC;MDCG;27;1;"MARTINI bead: SNd_P1";;;;;;;0.04;;-4.87;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM446559;MM446559;CC=CC(C)C1C(O)C1O;GXKHGAXVYPCRPP-UHFFFAOYSA-N;142.2;0.55;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1_SP2";;;;;;;1.8;;0.4;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM446560;MM446560;CNN=CC1C(CN)N1C;IZYBBVKEDIUCIC-UHFFFAOYSA-N;142.21;-1.17;;;;;DOPC;MDCG;27;1;"MARTINI bead: P2_SP2";;;;;;;-1.34;;-6.23;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM446561;MM446561;C=C(C=CC)C1C(C)C1C;LYACDSLCYNPGFH-UHFFFAOYSA-N;136.24;3.02;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1_SC5";;;;;;;3.68;;0.46;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM446562;MM446562;CCC=CC1C(C)N1CC;OWWHRVNDSQALCY-UHFFFAOYSA-N;139.24;2.05;;;;;DOPC;MDCG;27;0;"MARTINI bead: C3_SNd";;;;;;;2.57;;0.56;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM446563;MM446563;CC=CC(=O)C1C(C)C1C;NPSYUBGALSSHMD-UHFFFAOYSA-N;138.21;2.03;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_SC5";;;;;;;2.41;;0.64;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM446564;MM446564;C=CC=CC1C(C)C1CC;DUENGQPJFOPOEQ-UHFFFAOYSA-N;136.24;3.02;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC3_C1";;;;;;;4.61;;0.31;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM446565;MM446565;C=CC(=O)CC1(C)CN1C;CZLWFRWWFVFDNX-UHFFFAOYSA-N;139.2;0.84;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNd_Na";;;;;;;0.87;;-1.88;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM446566;MM446566;CCC1C(C)C1C=CC#N;CVUMGASZTFUVKS-UHFFFAOYSA-N;135.21;2.36;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC3_N0";;;;;;;2.87;;0.37;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM446567;MM446567;CC=CC(=O)C1C(O)C1O;LVRUGGWLOWXOHD-UHFFFAOYSA-N;142.15;-0.52;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_SP2";;;;;;;0.54;;-1.09;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM446568;MM446568;CC1C(C=CC=O)C1CF;CEWNEVXVDZZECZ-UHFFFAOYSA-N;142.17;1.59;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC5_Na";;;;;;;1.64;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM446569;MM446569;N#CC(=N)NOCC(F)F;MNFYIQJNMASPMJ-UHFFFAOYSA-N;149.1;0.27;;;;;DOPC;MDCG;27;0;"MARTINI bead: N0_P2";;;;;;;0.06;;-2.21;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM446570;MM446570;CC1C(C=CC#N)C1CF;QFKZYUGJSWBIAW-UHFFFAOYSA-N;139.17;1.92;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC5_N0";;;;;;;1.94;;0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM446571;MM446571;CC#CC(C)C1C(C)C1C;SFRDQWAZQOOYNC-UHFFFAOYSA-N;136.24;2.55;;;;;DOPC;MDCG;27;0;"MARTINI bead: C3_SC5";;;;;;;3.34;;0.48;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM446572;MM446572;C#CC(F)C=NNCCF;WJDSXVFTNQDDJF-UHFFFAOYSA-N;146.14;0.5;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_C5";;;;;;;0.54;;-1.09;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM446573;MM446573;CC#CC(N)C1C(C)C1C;SYLAFOYVPIMJFB-UHFFFAOYSA-N;137.23;1.24;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_SC5";;;;;;;1.64;;-1.7;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM446574;MM446574;C=CC=CC1C(O)C1CO;MOEBCHVDZOFLKI-UHFFFAOYSA-N;140.18;0.33;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP2_C1";;;;;;;1.8;;0.4;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM446575;MM446575;CC#CC(O)C1C(C)C1C;QCBYSKIRTDWOIO-UHFFFAOYSA-N;138.21;1.27;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda_SC5";;;;;;;1.64;;0.05;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM446576;MM446576;O=c1ocncc1C1CC1;FJNUXCPWRBYPQQ-UHFFFAOYSA-N;137.14;0.91;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP2_SC5";;;;;;;0.54;;-1.09;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM446577;MM446577;C=CC=CC1C(F)C1CC;TVPGVUNYYPLGPB-UHFFFAOYSA-N;140.2;2.72;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC5_C1";;;;;;;3.68;;0.46;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM446578;MM446578;CC#CC(F)C1C(C)C1C;HLNCSIJUCKZBEK-UHFFFAOYSA-N;140.2;2.25;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_SC5";;;;;;;2.41;;0.64;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM446579;MM446579;O=c1onncc1C1CC1;XROAFQFZFIGFIK-UHFFFAOYSA-N;138.13;0.31;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP2_SC5";;;;;;;0.54;;-1.09;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM446580;MM446580;C=CC=CC1C(F)C1CO;GAVDNPRXIAZYMG-UHFFFAOYSA-N;142.17;1.31;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP1_C1";;;;;;;2.08;;0.48;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM446581;MM446581;CC#CC(C)C1C(C)C1N;UGMSEYNLBJTDSG-UHFFFAOYSA-N;137.23;1.24;;;;;DOPC;MDCG;27;1;"MARTINI bead: C3_SNd";;;;;;;2.57;;-1.35;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM446582;MM446582;O=c1ocnnc1C1CC1;VFHKZMQXVTXVAF-UHFFFAOYSA-N;138.13;0.31;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP3_SC5";;;;;;;-0.33;;-2.01;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM446583;MM446583;O=CC=CC1C(F)C1CO;AQSCDWLERFJJOD-UHFFFAOYSA-N;144.15;0.32;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP1_Na";;;;;;;0.04;;-2.54;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM446584;MM446584;CC#CC(N)C1C(C)C1N;AUJPWSQDSUZHRK-UHFFFAOYSA-N;138.21;-0.07;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_SNd";;;;;;;0.87;;-4.47;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM446585;MM446585;O=c1occcc1C1CN1;FXGLAOPLTIUMFL-UHFFFAOYSA-N;137.14;0.28;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNa_SP2";;;;;;;-0.24;;-3.24;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM446586;MM446586;C=CC=CC1C(C)C1NC;YOPROYYGRKRBIP-UHFFFAOYSA-N;137.23;1.58;;;;;DOPC;MDCG;27;1;"MARTINI bead: SNd_C1";;;;;;;2.91;;-0.58;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM446587;MM446587;CC(=O)C#CCN(C)C=O;TYHNHJNHPLAXEE-UHFFFAOYSA-N;139.15;-0.33;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_Na";;;;;;;0.04;;-2.54;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM446588;MM446588;O=c1ocncc1C1CN1;MUKJENAQNFMTSR-UHFFFAOYSA-N;138.13;-0.32;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP2_SP2";;;;;;;-1.34;;-4.31;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM446589;MM446589;CNC1C(C)C1C=CC#N;DBKFPDNJKFDKPR-UHFFFAOYSA-N;136.2;0.92;;;;;DOPC;MDCG;27;1;"MARTINI bead: SNd_N0";;;;;;;1.17;;-3.86;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM446590;MM446590;CC#CC(N)C1C(C)C1O;UVYGTZQRLNRLIX-UHFFFAOYSA-N;139.2;-0.04;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_SNda";;;;;;;0.87;;-3.35;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM446591;MM446591;O=c1onncc1C1CN1;AFJCFFUIRDGRNP-UHFFFAOYSA-N;139.11;-0.93;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP2_SP2";;;;;;;-1.34;;-4.31;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM446592;MM446592;CNC1C(O)C1C=CC=O;JUYDJHYICQAOIQ-UHFFFAOYSA-N;141.17;-0.68;;;;;DOPC;MDCG;27;1;"MARTINI bead: SP2_Na";;;;;;;-0.24;;-5.12;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM446593;MM446593;CC#CC(O)C1C(C)C1O;NHFCABDEKFHOQI-UHFFFAOYSA-N;140.18;;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda_SNda";;;;;;;0.87;;-2.07;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM446594;MM446594;O=c1ocnnc1C1CN1;OMQVKQAWVOFHSD-UHFFFAOYSA-N;139.11;-0.93;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP3_SP2";;;;;;;-2.2;;-5.19;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM446595;MM446595;CNC1C(O)C1C=CC#N;MAPWXQTZDJLGFG-UHFFFAOYSA-N;138.17;-0.36;;;;;DOPC;MDCG;27;1;"MARTINI bead: SP2_N0";;;;;;;0.06;;-4.18;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM446596;MM446596;CC#CC(C)C1C(C)C1F;ISGSGOUDXUVZLC-UHFFFAOYSA-N;140.2;2.25;;;;;DOPC;MDCG;27;0;"MARTINI bead: C3_SNa";;;;;;;2.57;;0.45;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM446597;MM446597;O=c1occcc1C1CO1;GRONUMBOWGKXSD-UHFFFAOYSA-N;138.12;0.71;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNa_SP1";;;;;;;0.04;;-2.54;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM446598;MM446598;CC#CC(O)C1C(C)C1F;SVIRTIJTGXOEEM-UHFFFAOYSA-N;142.17;0.97;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda_SNa";;;;;;;0.87;;-1.99;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM446599;MM446599;C=CC=CC1C(O)C1OC;VVWQHYXXJCOWCQ-UHFFFAOYSA-N;140.18;0.73;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP1_C1";;;;;;;2.08;;0.48;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM446600;MM446600;O=c1ocncc1C1CO1;SDFKBPMWSXOZJG-UHFFFAOYSA-N;139.11;0.11;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP2_SP1";;;;;;;-1.06;;-3.82;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM446601;MM446601;CC#CC(C)C1C(N)C1N;BCAKBTBYUYESCM-UHFFFAOYSA-N;138.21;-0.07;;;;;DOPC;MDCG;27;1;"MARTINI bead: C3_SP3";;;;;;;0.6;;-2.81;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM446602;MM446602;C=NN=CC1C(N)C1CF;CJJSNUZQFAQEEQ-UHFFFAOYSA-N;143.17;0.22;;;;;DOPC;MDCG;27;1;"MARTINI bead: SP1_C5";;;;;;;0.81;;-2.67;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM446603;MM446603;O=c1onncc1C1CO1;YGVWGHHTWFPRRC-UHFFFAOYSA-N;140.1;-0.5;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP2_SP1";;;;;;;-1.06;;-3.82;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM446604;MM446604;CC#CC(N)C1C(N)C1N;BCBIPVUDMQYTKY-UHFFFAOYSA-N;139.2;-1.38;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_SP3";;;;;;;-1.1;;-5.76;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM446605;MM446605;C=NN=CC1C(O)C1CC;JAPMLYMWDBYIKT-UHFFFAOYSA-N;140.19;0.69;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNda_C5";;;;;;;1.64;;0.05;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM446606;MM446606;O=c1ocnnc1C1CO1;UQTNQFNGIHOMOJ-UHFFFAOYSA-N;140.1;-0.5;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP3_SP1";;;;;;;-1.93;;-4.72;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM446607;MM446607;CC#CC(O)C1C(N)C1N;OTENSWGLHATXJT-UHFFFAOYSA-N;140.19;-1.35;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nda_SP3";;;;;;;-1.1;;-5.67;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM446608;MM446608;C=NN=CC1C(F)C1CO;QTDYMQKXVBHORQ-UHFFFAOYSA-N;144.15;0.25;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP1_C5";;;;;;;0.81;;-0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM446609;MM446609;O=c1occcc1N1CC1;DNDDSVYIDRICKQ-UHFFFAOYSA-N;137.14;0.46;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNa_SP2";;;;;;;-0.24;;-3.24;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM446610;MM446610;CC#CC(C)C1C(N)C1O;UWIKOLMGUSIRJF-UHFFFAOYSA-N;139.2;-0.04;;;;;DOPC;MDCG;27;1;"MARTINI bead: C3_SP2";;;;;;;1.46;;-1.96;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM446611;MM446611;C=NN=CC1C(C)C1NC;ZATBWIAKZYSYAI-UHFFFAOYSA-N;139.2;0.53;;;;;DOPC;MDCG;27;1;"MARTINI bead: SNd_C5";;;;;;;1.64;;-2.22;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM446612;MM446612;O=c1ocncc1N1CC1;GWZNBQBSRNMBTF-UHFFFAOYSA-N;138.13;-0.15;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP2_SP2";;;;;;;-1.34;;-4.31;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM446613;MM446613;CC#CC(N)C1C(N)C1O;AYQZAJJGVLQCEG-UHFFFAOYSA-N;140.19;-1.35;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_SP2";;;;;;;-0.24;;-4.87;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM446614;MM446614;C=NN=CC1C(N)C1OC;QJCUQDXRNYFXAV-UHFFFAOYSA-N;141.17;-0.36;;;;;DOPC;MDCG;27;1;"MARTINI bead: SP1_C5";;;;;;;0.81;;-1.96;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM446615;MM446615;O=c1onncc1N1CC1;KJZBLTSIDNPORC-UHFFFAOYSA-N;139.11;-0.75;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP2_SP2";;;;;;;-1.34;;-4.31;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM446616;MM446616;CC#CC(O)C1C(N)C1O;VXMQABXGIOGBLF-UHFFFAOYSA-N;141.17;-1.31;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nda_SP2";;;;;;;-0.24;;-4.88;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM446617;MM446617;C#CCNN=CC(F)=CN;ICRWQBMHQATEDH-UHFFFAOYSA-N;141.15;-0.04;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda_P1";;;;;;;0.04;;-2.73;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM446618;MM446618;O=c1ocnnc1N1CC1;NAZRLMMWBTXSLF-UHFFFAOYSA-N;139.11;-0.75;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP3_SP2";;;;;;;-2.2;;-5.19;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM446619;MM446619;CC#CC(C)C1C(N)C1F;KHDVZYHFAQVJSC-UHFFFAOYSA-N;141.19;0.94;;;;;DOPC;MDCG;27;1;"MARTINI bead: C3_SP1";;;;;;;1.74;;-0.61;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM446620;MM446620;CCCC(C=O)NCC#N;FCHTXYOQXNNCBR-UHFFFAOYSA-N;140.19;0.47;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda_P1";;;;;;;0.04;;-2.73;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM446621;MM446621;O=c1ccocc1C1CC1;MGRREYUIBCGOEN-UHFFFAOYSA-N;136.15;1.52;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP1_SC5";;;;;;;0.81;;-0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM446622;MM446622;CC#CC(N)C1C(N)C1F;OVDKMKLBDKKQKH-UHFFFAOYSA-N;142.18;-0.37;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_SP1";;;;;;;0.04;;-4.14;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM446623;MM446623;C=NN=CC1C(C)N1CC;CBQYTJAMZMKSOT-UHFFFAOYSA-N;139.2;0.77;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNd_N0";;;;;;;1.17;;-1.04;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM446624;MM446624;N=c1ncocc1C1CC1;WMZHXOYDXBGHPW-UHFFFAOYSA-N;136.15;1.03;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP2_SC5";;;;;;;0.54;;-1.09;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM446625;MM446625;CC#CC(C)C1C(O)C1O;HWFDHXVLDBJADA-UHFFFAOYSA-N;140.18;;;;;;DOPC;MDCG;27;0;"MARTINI bead: C3_SP2";;;;;;;1.46;;-0.15;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM446626;MM446626;CCC1C(C)N1C=CC#N;POQUESJYGJIOPW-UHFFFAOYSA-N;136.2;1.51;;;;;DOPC;MDCG;27;0;"MARTINI bead: SN0_P1";;;;;;;0.34;;-1.53;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM446627;MM446627;O=c1ncocc1C1CC1;DLLHAILFVLHYSK-UHFFFAOYSA-N;137.14;0.91;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP2_SC5";;;;;;;0.54;;-1.09;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM446628;MM446628;CC#CC(O)C1C(O)C1O;ROVKGQNZUNASAK-UHFFFAOYSA-N;142.15;-1.28;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda_SP2";;;;;;;-0.24;;-3.31;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM446629;MM446629;CCC1C(C)N1N=CC=O;SCLYKQXFKPWWSX-UHFFFAOYSA-N;140.19;0.65;;;;;DOPC;MDCG;27;0;"MARTINI bead: SN0_P1";;;;;;;0.34;;-1.53;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM446630;MM446630;N=c1nnocc1C1CC1;ZSFKOUULLDGTNZ-UHFFFAOYSA-N;137.14;0.43;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP2_SC5";;;;;;;0.54;;-1.09;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM446631;MM446631;CC#CC(C)C1C(O)C1F;JPICGEKUUUHTOE-UHFFFAOYSA-N;142.17;0.97;;;;;DOPC;MDCG;27;0;"MARTINI bead: C3_SP1";;;;;;;1.74;;0.29;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM446632;MM446632;CCC1C(C)N1N=CC#N;QBCIXUGVQIFXNL-UHFFFAOYSA-N;137.19;0.98;;;;;DOPC;MDCG;27;0;"MARTINI bead: SN0_P2";;;;;;;0.06;;-2.21;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM446633;MM446633;O=c1ccocc1C1CN1;ZYARSNKDBKFGRC-UHFFFAOYSA-N;137.14;0.28;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP1_SP2";;;;;;;-1.06;;-3.82;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM446634;MM446634;CC#CC(C)N1C(C)C1C;GBWOWZJXGFKAEL-UHFFFAOYSA-N;137.23;1.49;;;;;DOPC;MDCG;27;0;"MARTINI bead: C3_SP1";;;;;;;1.74;;0.32;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM446635;MM446635;C#CC=CC1C(C)C1CC;SAVKDDHYFBBOMZ-UHFFFAOYSA-N;134.22;2.47;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC3_C4";;;;;;;3.9;;0.47;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM446636;MM446636;N=c1ncocc1C1CN1;LLLFVGZWCVGQPP-UHFFFAOYSA-N;137.14;-0.2;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP2_SP2";;;;;;;-1.34;;-4.31;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM446637;MM446637;C=C(C#CC)C1C(C)C1C;WTEVIIFHLAEYPM-UHFFFAOYSA-N;134.22;2.47;;;;;DOPC;MDCG;27;0;"MARTINI bead: C3_SC5";;;;;;;3.34;;0.48;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM446638;MM446638;C#CC=CC1C(N)C1CO;GNHCRYRQTPGTJM-UHFFFAOYSA-N;137.18;-0.26;;;;;DOPC;MDCG;27;1;"MARTINI bead: SP2_C4";;;;;;;1.09;;-2.58;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM446639;MM446639;O=c1ncocc1C1CN1;JWZGMTVNAWBABI-UHFFFAOYSA-N;138.13;-0.32;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP2_SP2";;;;;;;-1.34;;-4.31;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM446640;MM446640;CC#CC(=O)C1C(C)C1C;UEIWPNJJBJFZDK-UHFFFAOYSA-N;136.19;1.48;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_SC5";;;;;;;1.64;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM446641;MM446641;C#CC=CC1C(N)C1CF;AOIXHWDXRWPMGC-UHFFFAOYSA-N;139.17;0.72;;;;;DOPC;MDCG;27;1;"MARTINI bead: SP1_C4";;;;;;;1.37;;-2.47;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM446642;MM446642;N=c1nnocc1C1CN1;HNGLRPBQYZFLQH-UHFFFAOYSA-N;138.13;-0.81;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP2_SP2";;;;;;;-1.34;;-4.31;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM446643;MM446643;C=C(C#CC)C1C(C)C1N;PZQDIKUKCILUEJ-UHFFFAOYSA-N;135.21;1.16;;;;;DOPC;MDCG;27;1;"MARTINI bead: C3_SNd";;;;;;;2.57;;-1.3;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM446644;MM446644;C#CC=CC1C(O)C1CN;MTRBQOSPXLBMCQ-UHFFFAOYSA-N;137.18;-0.26;;;;;DOPC;MDCG;27;1;"MARTINI bead: SP2_C4";;;;;;;1.09;;-2.74;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM446645;MM446645;O=c1nnocc1C1CN1;PJLURAJBWQEQIU-UHFFFAOYSA-N;139.11;-0.93;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP2_SP2";;;;;;;-1.34;;-4.31;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM446646;MM446646;C=NNC(CC(=C)C)=NC;CMQBYFRSOTWVMS-UHFFFAOYSA-N;139.2;1.19;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_C4";;;;;;;1.37;;-0.05;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM446647;MM446647;C#CC=CC1C(C)C1NC;PUUWOMOYOBWFFU-UHFFFAOYSA-N;135.21;1.03;;;;;DOPC;MDCG;27;1;"MARTINI bead: SNd_C4";;;;;;;2.2;;-2.24;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM446648;MM446648;NN=CC(=NO)C(F)(F)F;NIFZBTGJFZKJJY-UHFFFAOYSA-N;155.08;0.32;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_C5";;;;;;;0.81;;-6.28;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM446649;MM446649;CC#CC(=O)C1C(C)C1O;YKXOXIHTLSJYMM-UHFFFAOYSA-N;138.17;0.21;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_SNda";;;;;;;0.87;;-1.99;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM446650;MM446650;C#CC=CC1C(O)C1NC;MPLXVFKFNSGNFH-UHFFFAOYSA-N;137.18;-0.25;;;;;DOPC;MDCG;27;1;"MARTINI bead: SP2_C4";;;;;;;1.09;;-2.31;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM446651;MM446651;O=c1ccocc1C1CO1;UGCRLGGBQGLOOV-UHFFFAOYSA-N;138.12;0.71;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP1_SP1";;;;;;;-0.79;;-3.13;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM446652;MM446652;C=C(C#CC)C1C(C)C1F;PHIINEUXIUYZMK-UHFFFAOYSA-N;138.19;2.17;;;;;DOPC;MDCG;27;0;"MARTINI bead: C3_SNa";;;;;;;2.57;;0.45;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM446653;MM446653;C#CC=CC1C(O)C1OC;OMPGWALMNXVKQL-UHFFFAOYSA-N;138.17;0.18;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP1_C4";;;;;;;1.37;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM446654;MM446654;N=c1ncocc1C1CO1;MZTRDZRWDOEFIB-UHFFFAOYSA-N;138.13;0.23;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP2_SP1";;;;;;;-1.06;;-3.82;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM446655;MM446655;C=C(C#CC)C1C(N)C1N;UDZVUKQKPFSFBX-UHFFFAOYSA-N;136.2;-0.15;;;;;DOPC;MDCG;27;1;"MARTINI bead: C3_SP3";;;;;;;0.6;;-2.77;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM446656;MM446656;C#CC(CC#N)ON=CC;YKGKZIIQCXJTDW-UHFFFAOYSA-N;136.15;0.92;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_P1";;;;;;;0.81;;-0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM446657;MM446657;O=c1ncocc1C1CO1;SWQXNBBTQIOFOS-UHFFFAOYSA-N;139.11;0.11;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP2_SP1";;;;;;;-1.06;;-3.82;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM446658;MM446658;C=C(C#CC)C1C(N)C1O;JRQODSPVKBQYFO-UHFFFAOYSA-N;137.18;-0.12;;;;;DOPC;MDCG;27;1;"MARTINI bead: C3_SP2";;;;;;;1.46;;-1.91;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM446659;MM446659;C#CC=CC1C(C)N1CC;FFCJAMSLYGVKKO-UHFFFAOYSA-N;135.21;1.27;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNd_N0";;;;;;;1.17;;-1.04;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM446660;MM446660;N=c1nnocc1C1CO1;CJDLZOFSIWXBCY-UHFFFAOYSA-N;139.11;-0.38;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP2_SP1";;;;;;;-1.06;;-3.82;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM446661;MM446661;C=C(C#CC)C1C(O)C1O;KAUUEMHTBAALGX-UHFFFAOYSA-N;138.17;-0.08;;;;;DOPC;MDCG;27;0;"MARTINI bead: C3_SP2";;;;;;;1.46;;-0.15;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM446662;MM446662;C=CC1C(C)C1C=CCC;DNXXZQQLAZPTAK-UHFFFAOYSA-N;136.24;3.02;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1_SC4";;;;;;;4.24;;0.42;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM446663;MM446663;O=c1nnocc1C1CO1;WGKPVUSZHVGVCH-UHFFFAOYSA-N;140.1;-0.5;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP2_SP1";;;;;;;-1.06;;-3.82;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM446664;MM446664;C=C(C#CC)C1C(O)C1F;WXLCTGRHBHZNND-UHFFFAOYSA-N;140.16;0.89;;;;;DOPC;MDCG;27;0;"MARTINI bead: C3_SP1";;;;;;;1.74;;0.29;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM446665;MM446665;CCC=CC1C(C)C1C#N;DANJQSHTEKGEFO-UHFFFAOYSA-N;135.21;2.36;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1_SN0";;;;;;;3.21;;0.46;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM446666;MM446666;O=c1ccocc1N1CC1;PQBHUXOLAZAMNT-UHFFFAOYSA-N;137.14;0.46;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP1_SP2";;;;;;;-1.06;;-3.82;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM446667;MM446667;C=C(C#CC)C1C(C)N1C;XBGDADFVRDGOHZ-UHFFFAOYSA-N;135.21;1.27;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4_SNd";;;;;;;2.2;;0.32;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM446668;MM446668;CC1C(C#N)C1C=CCF;DJOQWYDGEFLBPZ-UHFFFAOYSA-N;139.17;1.92;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_SN0";;;;;;;1.17;;-1.18;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM446669;MM446669;O=c1ncocc1N1CC1;FRHAXIQAKPYPRT-UHFFFAOYSA-N;138.13;-0.15;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP2_SP2";;;;;;;-1.34;;-4.31;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM446670;MM446670;CC#CC(=O)C1C(C)N1C;XMGUAGICRAAOEF-UHFFFAOYSA-N;137.18;0.28;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_SNd";;;;;;;1.64;;0.02;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM446671;MM446671;C=CC1C(N)C1C=CCO;KNHUUCPTOMYXKK-UHFFFAOYSA-N;139.2;0.29;;;;;DOPC;MDCG;27;1;"MARTINI bead: SNd_Nda";;;;;;;0.87;;-4.48;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM446672;MM446672;CC#CC(=N)N1C(C)C1C;DEQNBMJQJNZAFU-UHFFFAOYSA-N;136.2;1.08;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1_SP1";;;;;;;-0.79;;-4.51;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM446673;MM446673;N=c1nnocc1N1CC1;YGTRYFYZALFIQI-UHFFFAOYSA-N;138.13;-0.63;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP2_SP2";;;;;;;-1.34;;-4.31;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM446674;MM446674;Cn1ncc(N)c(F)c1=N;RGMDWZBSPBVSDC-UHFFFAOYSA-N;142.14;-0.38;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP1_SP2";;;;;;;-1.06;;-3.82;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM446675;MM446675;CC#CC(=O)N1C(C)C1C;OYJHWNSJMWKNSF-UHFFFAOYSA-N;137.18;0.63;;;;;DOPC;MDCG;27;0;"MARTINI bead: N0_SP1";;;;;;;0.34;;-1.53;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM446676;MM446676;O=c1nnocc1N1CC1;ZRBJMTPKIACAST-UHFFFAOYSA-N;139.11;-0.75;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP2_SP2";;;;;;;-1.34;;-4.31;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM446677;MM446677;CCC=CC1C(O)C1C#N;AYLABKOFXUMVBC-UHFFFAOYSA-N;137.18;1.08;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1_SP2";;;;;;;1.8;;0.4;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM446678;MM446678;CCC=C(C)C1C(C)C1C;LTTDJZHQACNVOV-UHFFFAOYSA-N;138.25;3.24;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1_SC5";;;;;;;3.68;;0.46;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM446679;MM446679;C#CCCC1CC1C1CC1;LWTBYAKKKGCYTE-UHFFFAOYSA-N;134.22;2.45;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC4_SC5";;;;;;;2.97;;0.45;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM446680;MM446680;C=CC1C(C)C1C=NNC;SVVDAGWSIDFEFA-UHFFFAOYSA-N;138.21;1.26;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nd_SC4";;;;;;;2.2;;0.32;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM446681;MM446681;C=NN=CCC(C)=NOC;WKYZZNFBIFZVFC-UHFFFAOYSA-N;141.17;1.09;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_C5";;;;;;;1.64;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM446682;MM446682;C#CCCC1CC1C1CO1;DIBYEPQKAAUJPV-UHFFFAOYSA-N;136.19;1.43;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC4_SP1";;;;;;;1.37;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM446683;MM446683;C=NN1CC1C(=O)C(=C)C;OADOLKWJMSSRHA-UHFFFAOYSA-N;138.17;0.43;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_SP2";;;;;;;-0.24;;-3.24;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM446684;MM446684;CCC=C(C)C1C(N)C1O;LXIIFRSPNGGFKF-UHFFFAOYSA-N;141.21;0.66;;;;;DOPC;MDCG;27;1;"MARTINI bead: C1_SP2";;;;;;;1.8;;-0.82;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM446685;MM446685;C=CC#CC1CC1C1CC1;AGEKNJJQZRKBHA-UHFFFAOYSA-N;132.21;2.22;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC4_SC5";;;;;;;2.97;;0.45;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM446686;MM446686;C=CC1C(C)C1C=NOC;BIEVSDBQDHZRDU-UHFFFAOYSA-N;139.2;1.69;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_SC4";;;;;;;2.2;;0.34;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM446687;MM446687;CC(=CCO)C1C(N)C1O;NJLLEKXGBXWKMJ-UHFFFAOYSA-N;143.19;-0.76;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nda_SP2";;;;;;;-0.24;;-5.22;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM446688;MM446688;C=CC#CC1CC1N1CC1;LFVCJUYNTJFSCD-UHFFFAOYSA-N;133.19;0.88;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC4_SP1";;;;;;;1.37;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM446689;MM446689;C=CC1C(C=CCC)N1C;OZRLXCJITXNKKR-UHFFFAOYSA-N;137.23;1.82;;;;;DOPC;MDCG;27;0;"MARTINI bead: C3_SNd";;;;;;;2.57;;0.53;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM446690;MM446690;CC(=CCN)C1C(N)C1F;SCDLPPSZMSNYII-UHFFFAOYSA-N;144.19;0.19;;;;;DOPC;MDCG;27;1;"MARTINI bead: C5_SP1";;;;;;;0.81;;-2.77;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM446691;MM446691;C#CC#CC1CC1C1CC1;NOZKWRWNANYVIT-UHFFFAOYSA-N;130.19;1.67;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC5_SC5";;;;;;;2.41;;0.64;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM446692;MM446692;CCc1noc(CC)c1N;VRGDRFRWHASLDY-UHFFFAOYSA-N;140.19;1.38;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC5_SNd";;;;;;;1.64;;0.02;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM446693;MM446693;CCN=C(C)N1C(C)C1C;CBHXQVQNDKOSNY-UHFFFAOYSA-N;140.23;1.52;;;;;DOPC;MDCG;27;1;"MARTINI bead: C5_SP1";;;;;;;0.81;;-3.3;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM446694;MM446694;C#CC#CC1CC1N1CC1;AIYIAZKXSMYXGN-UHFFFAOYSA-N;131.18;0.33;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC5_SP1";;;;;;;0.81;;-0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM446695;MM446695;C=CC1=NNC(C#N)CC1;OQZNNLZIPMEOOY-UHFFFAOYSA-N;135.17;0.8;;;;;DOPC;MDCG;27;0;"MARTINI bead: SN0_SNd";;;;;;;1.17;;-1.04;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM446696;MM446696;C=CC=C(C)C1C(C)C1C;YBDAENIIQAKNHZ-UHFFFAOYSA-N;136.24;3.02;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC5_C1";;;;;;;3.68;;0.46;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM446697;MM446697;CC1C(CC#N)C1C1CC1;RSFDAAYVZKCBKJ-UHFFFAOYSA-N;135.21;2.19;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC5_SC5";;;;;;;2.41;;0.64;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM446698;MM446698;C=NNC1CC1(F)F;AGIDVNPRHMNGOO-UHFFFAOYSA-N;120.1;0.6;;;;;DOPC;MDCG;27;0;"MARTINI bead: SN0_P2";;;;;;;0.06;;-2.21;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM446699;MM446699;C=CC=C(F)C1C(C)C1C;SULGUAYNEGDCRV-UHFFFAOYSA-N;140.2;2.93;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC5_C3";;;;;;;3.34;;0.48;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM446700;MM446700;CN1C(CC#N)C1C1CC1;LCHNZXRRAZJLQQ-UHFFFAOYSA-N;136.2;0.99;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNd_SC5";;;;;;;1.64;;0.02;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM446701;MM446701;COC=CC1C(C#N)N1C;KBBJORQFCQMLHR-UHFFFAOYSA-N;138.17;0.35;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_SP1";;;;;;;0.04;;-2.54;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM446702;MM446702;CC1C(C)C1C(F)=CC#N;VZAMDBWKPAVBCK-UHFFFAOYSA-N;139.17;2.27;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC5_C5";;;;;;;2.41;;0.64;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM446703;MM446703;CC1C(C=CCN)N1C=N;UWTSXGDXLRMKBG-UHFFFAOYSA-N;139.2;0.18;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1_SP1";;;;;;;-0.79;;-5.66;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM446704;MM446704;C=CC=C(F)C1C(N)C1O;YREWGKKVBGTJCL-UHFFFAOYSA-N;143.16;0.34;;;;;DOPC;MDCG;27;1;"MARTINI bead: SP2_C3";;;;;;;1.46;;-1.87;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM446705;MM446705;COC=CC1C(C)N1C=N;MJTZSGKGYZUAFZ-UHFFFAOYSA-N;140.19;0.83;;;;;DOPC;MDCG;27;1;"MARTINI bead: Na_SP1";;;;;;;0.04;;-4.88;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM446706;MM446706;C=NN=C(C)C1C(C)C1C;UZWRGUTZDGKDCL-UHFFFAOYSA-N;138.21;1.96;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC5_C5";;;;;;;2.41;;0.64;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM446707;MM446707;C=NN1C(C)C1C=CCN;IRPWVRSLIBNRTA-UHFFFAOYSA-N;139.2;0.19;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1_SP1";;;;;;;-0.79;;-5.38;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM446708;MM446708;CC1C(C)N1C(N)=CC#N;PWQGTWNPSTUWKD-UHFFFAOYSA-N;137.19;0.4;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP1_P1";;;;;;;-0.79;;-3.13;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM446709;MM446709;CNN=CC1C(C)N1C=O;NZNLQJKAJDSIPV-UHFFFAOYSA-N;141.17;-0.58;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_SP1";;;;;;;-1.06;;-3.82;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM446710;MM446710;C#CC=C(C)C1C(C)C1C;MHVUTQOVYZDZTE-UHFFFAOYSA-N;134.22;2.47;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC5_C4";;;;;;;2.97;;0.45;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM446711;MM446711;CON=CC1C(C)N1C=N;KKNUCIYMIQMDIL-UHFFFAOYSA-N;141.17;0.3;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1_SP1";;;;;;;-0.79;;-5.03;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM446712;MM446712;C#CC=C(C)C1C(C)C1N;MSESWWWEZSYKTG-UHFFFAOYSA-N;135.21;1.16;;;;;DOPC;MDCG;27;1;"MARTINI bead: SNd_C4";;;;;;;2.2;;-2.04;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM446713;MM446713;CON=CC1C(C)N1C=O;TWUXJXJVPDUTAF-UHFFFAOYSA-N;142.16;-0.15;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_SP1";;;;;;;-0.79;;-3.13;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM446714;MM446714;C#CC=C(F)C1C(C)C1O;HQKMRMSUVXCJDF-UHFFFAOYSA-N;140.16;1.1;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNda_C4";;;;;;;2.2;;0.49;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM446715;MM446715;C=NN1C(C)C1C=NNC;OJZUOQKWSPIUAQ-UHFFFAOYSA-N;140.19;-0.12;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_SP1";;;;;;;-1.06;;-3.82;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM446716;MM446716;C#CC=C(F)C1C(C)C1F;BJXVZSRXZLADAR-UHFFFAOYSA-N;142.15;2.08;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNa_C4";;;;;;;2.2;;0.34;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM446717;MM446717;C=NN1C(C)C1C=NOC;MZPLFYUBPQEXHS-UHFFFAOYSA-N;141.17;0.31;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_SP1";;;;;;;-0.79;;-3.13;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM446718;MM446718;CCCCCCCCCC;DIOQZVSQGTUSAI-UHFFFAOYSA-N;142.29;4.15;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1_C1";;;;;;;4.95;;0.69;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM446719;MM446719;COC=NN1C(C)C1C#N;VHIHYTAZHXDVSR-UHFFFAOYSA-N;139.16;0.17;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_SP2";;;;;;;-1.06;;-3.82;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM446720;MM446720;NCCCCCCCCN;PWGJDPKCLMLPJW-UHFFFAOYSA-N;144.26;1.24;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_C5";;;;;;;1.64;;-2.99;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM446721;MM446721;C=CC=CC1C(C)C1C=C;XZRVSZQCEXYQBB-UHFFFAOYSA-N;134.22;2.8;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC4_C1";;;;;;;4.24;;0.42;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM446722;MM446722;NCCCCCCCCO;WDCOJSGXSPGNFK-UHFFFAOYSA-N;145.25;1.28;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_Nda";;;;;;;0.87;;-4.72;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM446723;MM446723;C=CC1C(C)C1C=CC#N;DFBNWEVEPRQFJC-UHFFFAOYSA-N;133.19;2.13;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC4_N0";;;;;;;2.5;;0.44;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM446724;MM446724;CNCCCCCCCN;YYEIRLHVLCIHCN-UHFFFAOYSA-N;144.26;1.12;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_C5";;;;;;;1.64;;-3.19;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM446725;MM446725;C=CC=CC1C(C)C1C#N;NBOQWNQJTIOXLE-UHFFFAOYSA-N;133.19;2.13;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1_SN0";;;;;;;3.21;;0.46;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM446726;MM446726;CNCCCCCCCF;QGBODLSTGWMWNV-UHFFFAOYSA-N;147.24;2.13;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_C4";;;;;;;2.2;;-2.54;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM446727;MM446727;CC1C(C#N)C1C=CC#N;JMYXKVCZQUYWQP-UHFFFAOYSA-N;132.17;1.47;;;;;DOPC;MDCG;27;0;"MARTINI bead: N0_SN0";;;;;;;1.47;;-0.05;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM446728;MM446728;CCCCCCCNCC;IUZZLNVABCISOI-UHFFFAOYSA-N;143.27;2.57;;;;;DOPC;MDCG;27;1;"MARTINI bead: C1_Nd";;;;;;;2.91;;-0.94;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM446729;MM446729;C=CC=CC1C(N)C1C=C;IUVFXHHXNQEUBD-UHFFFAOYSA-N;135.21;1.49;;;;;DOPC;MDCG;27;1;"MARTINI bead: SNd_C1";;;;;;;2.91;;-0.34;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM446730;MM446730;CCNCCCCCCN;GODRGSBJTFNCPC-UHFFFAOYSA-N;144.26;1.12;;;;;DOPC;MDCG;27;1;"MARTINI bead: C5_Nd";;;;;;;1.64;;-3.23;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM446731;MM446731;C=CC=CC1C(O)C1C#N;ZPFXDMGSORUHGR-UHFFFAOYSA-N;135.17;0.86;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1_SP2";;;;;;;1.8;;0.4;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM446732;MM446732;CCNCCCCCCO;GKTZKHBCHBKGSC-UHFFFAOYSA-N;145.25;1.15;;;;;DOPC;MDCG;27;1;"MARTINI bead: C5_Nda";;;;;;;1.64;;-3.08;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM446733;MM446733;C=CC=CC1C(F)C1C=C;JBYMFHMOUWWEJL-UHFFFAOYSA-N;138.19;2.5;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC5_C1";;;;;;;3.68;;0.46;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM446734;MM446734;CCNCCCCCCF;ARRIHKMTDWQYBV-UHFFFAOYSA-N;147.24;2.13;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_C4";;;;;;;2.2;;-2.62;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM446735;MM446735;C=CC1C(F)C1C=CC=O;CBBHBXIUOAICBA-UHFFFAOYSA-N;140.16;1.51;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC5_Na";;;;;;;1.64;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM446736;MM446736;CCCCCCCOCC;UTBWZYCUAYXAKT-UHFFFAOYSA-N;144.26;2.99;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1_C5";;;;;;;3.68;;0.46;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM446737;MM446737;C=CC1C(N)C1C=NN=C;PRZZSRQVGPAMSH-UHFFFAOYSA-N;137.19;0.43;;;;;DOPC;MDCG;27;1;"MARTINI bead: SNd_C5";;;;;;;1.64;;-2.11;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM446738;MM446738;CCOCCCCCCN;AQBIULJUXYJEEP-UHFFFAOYSA-N;145.25;1.54;;;;;DOPC;MDCG;27;1;"MARTINI bead: C5_Nd";;;;;;;1.64;;-2.7;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM446739;MM446739;C=CC1C(F)C1C=NN=C;TUHDPOVGVWAVBM-UHFFFAOYSA-N;140.16;1.44;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC5_C5";;;;;;;2.41;;0.64;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM446740;MM446740;C=C(C=NN=CC)C(C)=O;UTCYWEKGRXQHAU-UHFFFAOYSA-N;138.17;1.21;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_Na";;;;;;;1.64;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM446741;MM446741;C=CC=CC1C(C=C)N1C;NSGKRMVTXKVPBJ-UHFFFAOYSA-N;135.21;1.6;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNd_C4";;;;;;;2.2;;0.32;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM446742;MM446742;CCOCCCCCCF;JFFKGOLBBLHYIC-UHFFFAOYSA-N;148.22;2.55;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_C4";;;;;;;2.97;;0.45;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM446743;MM446743;CCCC(C)(O)C(C)C;CGWJMIUMPDDHQC-UHFFFAOYSA-N;130.23;2.19;;;;;DOPC;MDCG;27;0;"MARTINI bead: C3_Nda";;;;;;;2.57;;0.44;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM446744;MM446744;CCOCCCCCNC;IUAGFWCKSNIVFF-UHFFFAOYSA-N;145.25;1.41;;;;;DOPC;MDCG;27;1;"MARTINI bead: C5_Nd";;;;;;;1.64;;-3.02;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM446745;MM446745;CCC(C)C(C)(O)CC;FJXOYCIYKQJAAF-UHFFFAOYSA-N;130.23;2.19;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1_Nda";;;;;;;2.91;;0.57;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM446746;MM446746;CCNCCCCNCC;WHDUKLPCKZTPFY-UHFFFAOYSA-N;144.26;0.99;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_Nd";;;;;;;0.87;;-5.61;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM446747;MM446747;C#CC(F)(F)CNN=C;HJLRBHYDQLGTCR-UHFFFAOYSA-N;132.11;0.46;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_P1";;;;;;;0.81;;-0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM446748;MM446748;CCNCCCCOCC;AJJHROSVDXDLFD-UHFFFAOYSA-N;145.25;1.41;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_C5";;;;;;;1.64;;-3.1;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM446749;MM446749;CC1C(C=CC=O)N1C=N;ZEILKOCKVUVHLV-UHFFFAOYSA-N;138.17;0.42;;;;;DOPC;MDCG;27;1;"MARTINI bead: Na_SP1";;;;;;;0.04;;-4.92;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM446750;MM446750;CCOCCCCOCC;IIHAWQOFHTYWGM-UHFFFAOYSA-N;146.23;1.84;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_C5";;;;;;;2.41;;0.64;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM446751;MM446751;CC1C(C=CC#N)N1C=O;JFZWCJUXQYRQSZ-UHFFFAOYSA-N;136.15;0.3;;;;;DOPC;MDCG;27;0;"MARTINI bead: N0_SP1";;;;;;;0.34;;-1.53;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM446752;MM446752;CCCCCCNCCC;WBLXZSQLBOFHAB-UHFFFAOYSA-N;143.27;2.57;;;;;DOPC;MDCG;27;1;"MARTINI bead: C1_C5";;;;;;;3.68;;0.46;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM446753;MM446753;C=CC=CC1C(C)N1N=C;CKJUMQMZXDXDIX-UHFFFAOYSA-N;136.2;1.42;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4_SP1";;;;;;;1.37;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM446754;MM446754;CCCCCCNCCN;ADKFRZBUXRKWDL-UHFFFAOYSA-N;144.26;1.12;;;;;DOPC;MDCG;27;1;"MARTINI bead: C1_P3";;;;;;;0.94;;-2.54;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM446755;MM446755;C=NN=CC1C(C)N1C=N;VKAXHLBJLCZBLS-UHFFFAOYSA-N;138.17;0.35;;;;;DOPC;MDCG;27;1;"MARTINI bead: N0_SP1";;;;;;;0.34;;-3.44;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM446756;MM446756;CCCCCCNCCO;MCIKGVLBLIZYRY-UHFFFAOYSA-N;145.25;1.15;;;;;DOPC;MDCG;27;1;"MARTINI bead: C1_P2";;;;;;;1.8;;-1.47;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM446757;MM446757;C=CC=NN1C(C)C1C=C;VLAAGDHCRUJWAC-UHFFFAOYSA-N;136.2;1.42;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP1_N0";;;;;;;0.34;;-1.53;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM446758;MM446758;CCCCCCNCCF;WKMXWXJTKHYATD-UHFFFAOYSA-N;147.24;2.13;;;;;DOPC;MDCG;27;1;"MARTINI bead: C1_Nda";;;;;;;2.91;;0.27;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM446759;MM446759;C=CC=NN1C(C)C1C#N;UVFUOBDCBVPEKB-UHFFFAOYSA-N;135.17;0.75;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP2_N0";;;;;;;0.06;;-2.21;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM446760;MM446760;CCCNCCCCCN;TXZYEZDYAHKAPO-UHFFFAOYSA-N;144.26;1.12;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_C5";;;;;;;1.64;;-3.33;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM446761;MM446761;C#CC=CC1C(C)C1C=C;YOKHQCBWUFHGDF-UHFFFAOYSA-N;132.21;2.24;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC4_C4";;;;;;;3.53;;0.53;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM446762;MM446762;NCCCCCNCCN;BSPZUPKVZVBJEC-UHFFFAOYSA-N;145.25;-0.34;;;;;DOPC;MDCG;27;1;"MARTINI bead: C5_P4";;;;;;;-0.41;;-5.65;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM446763;MM446763;C#CC=CC1C(C)C1C#N;IGOGDMNAAMMIBX-UHFFFAOYSA-N;131.18;1.58;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4_SN0";;;;;;;2.5;;0.44;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM446764;MM446764;NCCCCCNCCO;PVEDNAQTIGMRLZ-UHFFFAOYSA-N;146.23;-0.3;;;;;DOPC;MDCG;27;1;"MARTINI bead: C5_P3";;;;;;;-0.33;;-4.94;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM446765;MM446765;C#CC=CC1C(N)C1C=C;MSLLWHUBEXMMGA-UHFFFAOYSA-N;133.19;0.94;;;;;DOPC;MDCG;27;1;"MARTINI bead: SNd_C4";;;;;;;2.2;;-1.99;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM446766;MM446766;CCCNCCCCCO;ZTIPYZHLPJSTMJ-UHFFFAOYSA-N;145.25;1.15;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_C5";;;;;;;1.64;;-3.23;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM446767;MM446767;CCCC(O)(CC)CC;WNDLTOTUHMHNOC-UHFFFAOYSA-N;130.23;2.34;;;;;DOPC;MDCG;27;0;"MARTINI bead: C3_C5";;;;;;;3.34;;0.48;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM446768;MM446768;CCCNCCCCCF;UMUMNHSCXLLHQL-UHFFFAOYSA-N;147.24;2.13;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_C4";;;;;;;2.2;;-2.74;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM446769;MM446769;C#CC=CC1C(C=C)N1C;NJIKEVOGAXUWGV-UHFFFAOYSA-N;133.19;1.04;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNd_N0";;;;;;;1.17;;-1.04;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM446770;MM446770;FCCCCCNCCF;LKWDSRIQAXRAKX-UHFFFAOYSA-N;151.2;1.69;;;;;DOPC;MDCG;27;1;"MARTINI bead: C4_P1";;;;;;;1.37;;-1.59;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM446771;MM446771;C#CC(CC(=C)F)=NN;MCICOAWIXFTGIA-UHFFFAOYSA-N;126.13;0.81;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_C5";;;;;;;0.81;;-0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM446772;MM446772;CCNCCCNCCO;QMCJCBVBAAXLRJ-UHFFFAOYSA-N;146.23;-0.43;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_P2";;;;;;;-0.24;;-6.07;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM446773;MM446773;C#CC=CC1C(C)N1N=C;RNOSNBPGAOBLCM-UHFFFAOYSA-N;134.18;0.86;;;;;DOPC;MDCG;27;0;"MARTINI bead: N0_SP1";;;;;;;0.34;;-1.53;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM446774;MM446774;CCCNCCCOCC;NPQSBAOXISPRAH-UHFFFAOYSA-N;145.25;1.41;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_C5";;;;;;;1.64;;-3;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM446775;MM446775;C#CC1C(C)C1C=CCN;BSHGJNKHIKZZEF-UHFFFAOYSA-N;135.21;1.02;;;;;DOPC;MDCG;27;1;"MARTINI bead: SC5_Nd";;;;;;;1.64;;-2.14;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM446776;MM446776;CCCCCCOCCC;JLQBXJSLMWXEFL-UHFFFAOYSA-N;144.26;2.99;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1_C4";;;;;;;4.24;;0.42;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM446777;MM446777;CC(=CN)C(=O)N(C)C;LYMJPIIUUMWIKS-UHFFFAOYSA-N;128.18;-0.06;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_Nd";;;;;;;-0.24;;-3.16;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM446778;MM446778;NCCOCCCCCO;ZODOAFPHNKMBEK-UHFFFAOYSA-N;147.22;0.12;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1_Nda";;;;;;;0.04;;-4.77;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM446779;MM446779;C#CC1C(F)C1C=CCN;KZOAPASHNJUWRV-UHFFFAOYSA-N;139.17;0.72;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_SNa";;;;;;;0.87;;-4.13;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM446780;MM446780;CON=C(NOC)C(C)F;GXDBAEVWOZHOPI-UHFFFAOYSA-N;150.15;0.46;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_C5";;;;;;;0.54;;-1.09;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM446781;MM446781;C#CC1C(C=CCN)N1C;BGNKWKDZYKYTLY-UHFFFAOYSA-N;136.2;-0.18;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1_SP1";;;;;;;-0.79;;-5.38;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM446782;MM446782;CNCCCCOCCN;KHSJMPAWKNEGKF-UHFFFAOYSA-N;146.23;-0.04;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_P2";;;;;;;-0.24;;-6.29;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM446783;MM446783;C#CC(COC)NN=C;SGXXXVMRTUFXPR-UHFFFAOYSA-N;126.16;-0.16;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_P1";;;;;;;0.04;;-2.54;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM446784;MM446784;CNCCCCOCCO;BGIGLZARYIZJKM-UHFFFAOYSA-N;147.22;-0.01;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_P2";;;;;;;-0.24;;-6.26;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM446785;MM446785;C#CC1C(C)C1C=CC=C;VTGOPPYAWDBOFS-UHFFFAOYSA-N;132.21;2.24;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1_SC5";;;;;;;3.68;;0.46;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM446786;MM446786;CCOCCCOCCO;OLQJZXRFYFGTAV-UHFFFAOYSA-N;148.2;0.42;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_P1";;;;;;;0.04;;-2.54;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM446787;MM446787;C#CC1C(C)C1C=CC=O;VKNYTFPIFXZYID-UHFFFAOYSA-N;134.18;1.26;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_SC5";;;;;;;1.64;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM446788;MM446788;CCOCCCOCCF;DEISHXCTMHZCCH-UHFFFAOYSA-N;150.19;1.4;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_Na";;;;;;;1.64;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM446789;MM446789;C#CC1C(C)C1C=CC#N;VLXKZVNFLHWDTE-UHFFFAOYSA-N;131.18;1.58;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC5_N0";;;;;;;1.94;;0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM446790;MM446790;CCCNCCNCCC;VATUKUMHBXZSCD-UHFFFAOYSA-N;144.26;0.99;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_Nd";;;;;;;0.87;;-4.77;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM446791;MM446791;C#CC1C(N)C1C=CC=C;ORUUDSBUSBPDIS-UHFFFAOYSA-N;133.19;0.94;;;;;DOPC;MDCG;27;1;"MARTINI bead: C1_SP1";;;;;;;2.08;;-0.65;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM446792;MM446792;CCCNCCNCCO;ZDJRJTXHRYJJKE-UHFFFAOYSA-N;146.23;-0.43;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_P2";;;;;;;-0.24;;-5.57;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM446793;MM446793;Cc1c(N)on(N)c1=O;HTCSFNWOZWWLEL-UHFFFAOYSA-N;129.12;-0.95;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP1_SP2";;;;;;;-1.06;;-3.82;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM446794;MM446794;NCCNCCNCCO;HVOBSBRYQIYZNY-UHFFFAOYSA-N;147.22;-1.88;;;;;DOPC;MDCG;27;1;"MARTINI bead: P3_P2";;;;;;;-2.2;;-7.35;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM446795;MM446795;C#CC1C(F)C1C=CC=C;QEOFMTXXZSBMTP-UHFFFAOYSA-N;136.17;1.95;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1_SNa";;;;;;;2.91;;0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM446796;MM446796;OCCNCCNCCF;XHGRUQDQRNTFLR-UHFFFAOYSA-N;150.2;-0.87;;;;;DOPC;MDCG;27;1;"MARTINI bead: P2_P1";;;;;;;-1.06;;-5.48;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM446797;MM446797;C#CC1C(F)C1C=CC#N;GEAJTBAUVRZLTE-UHFFFAOYSA-N;135.14;1.28;;;;;DOPC;MDCG;27;0;"MARTINI bead: N0_SNa";;;;;;;1.17;;-1.18;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM446798;MM446798;CCCNCCOCCC;LRNKEEGJHBYBBE-UHFFFAOYSA-N;145.25;1.41;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_C4";;;;;;;2.2;;-1.92;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM446799;MM446799;C#CC1C(C)C1C=NN=C;HEMWZQKOLYSLAX-UHFFFAOYSA-N;134.18;1.19;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC5_C5";;;;;;;2.41;;0.64;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM446800;MM446800;NCCNCCOCCN;HSQJCYKWJCJFKF-UHFFFAOYSA-N;147.22;-1.49;;;;;DOPC;MDCG;27;1;"MARTINI bead: P3_P2";;;;;;;-2.2;;-7.6;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM446801;MM446801;CCNC1=CC(=O)N=C1;BVRWQUARCRKJJM-UHFFFAOYSA-N;124.14;0.09;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNd_SNa";;;;;;;0.87;;-1.88;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM446802;MM446802;NCCNCCOCCO;WVMWULRIHKUMRY-UHFFFAOYSA-N;148.21;-1.46;;;;;DOPC;MDCG;27;1;"MARTINI bead: P3_P2";;;;;;;-2.2;;-7.4;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM446803;MM446803;C#CC1C(C=CC=C)N1C;SIKUWDWYVPVKCS-UHFFFAOYSA-N;133.19;1.04;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4_SP1";;;;;;;1.37;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM446804;MM446804;OCCNCCOCCO;AVUHPLVMRYGTHW-UHFFFAOYSA-N;149.19;-1.42;;;;;DOPC;MDCG;27;1;"MARTINI bead: P2_P2";;;;;;;-1.34;;-6.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM446805;MM446805;C#CC1C(C)N1C=NN=C;MNQSNHIXKRTWQB-UHFFFAOYSA-N;135.17;0.34;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP2_N0";;;;;;;0.06;;-2.21;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM446806;MM446806;CCCOCCOCCO;DJCYDDALXPHSHR-UHFFFAOYSA-N;148.2;0.42;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_P1";;;;;;;0.04;;-2.54;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM446807;MM446807;C#CC=CC1C(C)C1C#C;DBYOIUDMICFMCT-UHFFFAOYSA-N;130.19;1.69;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4_SC5";;;;;;;2.97;;0.45;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM446808;MM446808;NCCOCCOCCO;ASDQMECUMYIVBG-UHFFFAOYSA-N;149.19;-1.03;;;;;DOPC;MDCG;27;1;"MARTINI bead: P2_P2";;;;;;;-1.34;;-6.35;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM446809;MM446809;C#CC=CC1C(N)C1C#C;MUAIBPZFDBJXHD-UHFFFAOYSA-N;131.18;0.38;;;;;DOPC;MDCG;27;1;"MARTINI bead: C4_SP1";;;;;;;1.37;;-2.18;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM446810;MM446810;OCCOCCOCCO;ZIBGPFATKBEMQZ-UHFFFAOYSA-N;150.17;-1;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_P2";;;;;;;-1.34;;-4.31;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM446811;MM446811;C#CC=CC1C(F)C1C#C;UIKGOOKHXSVFRG-UHFFFAOYSA-N;134.15;1.39;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNa_C4";;;;;;;2.2;;0.34;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM446812;MM446812;OCCOCCOCCF;SSZYZLZGRCUYIK-UHFFFAOYSA-N;152.17;-0.02;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_Na";;;;;;;-0.24;;-3.24;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM446813;MM446813;C#CC=CC1C(C#C)N1C;HFCYVQMKQHJQHW-UHFFFAOYSA-N;131.18;0.49;;;;;DOPC;MDCG;27;0;"MARTINI bead: N0_SP1";;;;;;;0.34;;-1.53;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM446814;MM446814;COCOCCOCCN;YKXOCNTXTDPYTD-UHFFFAOYSA-N;149.19;-0.42;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1_P2";;;;;;;-1.06;;-5.86;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM446815;MM446815;CCC1C(C)C1C#CCN;RCYGMBSZGAHKLS-UHFFFAOYSA-N;137.23;1.24;;;;;DOPC;MDCG;27;1;"MARTINI bead: SC3_Nd";;;;;;;2.57;;-0.26;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM446816;MM446816;COCOCCOCCO;TUAYZHLYHMRDMK-UHFFFAOYSA-N;150.17;-0.38;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_P2";;;;;;;-1.06;;-3.82;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM446817;MM446817;CC1C(C#CCO)C1CN;LVMWFXHCMDRMRL-UHFFFAOYSA-N;139.2;-0.18;;;;;DOPC;MDCG;27;1;"MARTINI bead: SNd_P2";;;;;;;-0.24;;-5.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM446818;MM446818;COCOCCOCOC;JDWHODBXMOEAFQ-UHFFFAOYSA-N;150.17;0.23;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_Na";;;;;;;-0.24;;-3.24;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM446819;MM446819;CCC#CC1C(N)C1CC;KSDDMYQNUYOULZ-UHFFFAOYSA-N;137.23;1.38;;;;;DOPC;MDCG;27;1;"MARTINI bead: C3_SNd";;;;;;;2.57;;-1;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM446820;MM446820;CCCCCNCCCC;AMJIVVJFADZSNZ-UHFFFAOYSA-N;143.27;2.57;;;;;DOPC;MDCG;27;1;"MARTINI bead: C1_Nd";;;;;;;2.91;;-1.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM446821;MM446821;CCC1C(O)C1C#CCO;WYZPORJKKASNSY-UHFFFAOYSA-N;140.18;;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNda_P2";;;;;;;-0.24;;-3.31;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM446822;MM446822;CCCCCNCCCF;XBXDWUBJRSXUHC-UHFFFAOYSA-N;147.24;2.13;;;;;DOPC;MDCG;27;1;"MARTINI bead: C1_Nda";;;;;;;2.91;;-0.8;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM446823;MM446823;C=C1C(=O)ONC1=NC;MNKBPZBPZCAHID-UHFFFAOYSA-N;126.12;-0.37;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNd_SP1";;;;;;;0.04;;-2.63;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM446824;MM446824;CCCCNCCCCN;RYPNVAIMJHBIQS-UHFFFAOYSA-N;144.26;1.12;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_Nd";;;;;;;0.87;;-5.55;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM446825;MM446825;CNC1C(C)C1C#CCN;MUWSNHMXUYUPRC-UHFFFAOYSA-N;138.21;-0.2;;;;;DOPC;MDCG;27;1;"MARTINI bead: SNd_Nd";;;;;;;0.87;;-4.47;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM446826;MM446826;OCCCCNCCCO;RVJMTSHLIOIGNR-UHFFFAOYSA-N;147.22;-0.27;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nda_P2";;;;;;;-0.24;;-5.82;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM446827;MM446827;CNC1C(C)C1C#CCF;ZDZJOYKFTKAGKI-UHFFFAOYSA-N;141.19;0.81;;;;;DOPC;MDCG;27;1;"MARTINI bead: SNd_Na";;;;;;;0.87;;-4.15;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM446828;MM446828;CCCCNCCCCF;QORMJPLNVOWMMC-UHFFFAOYSA-N;147.24;2.13;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_C4";;;;;;;2.2;;-2.74;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM446829;MM446829;CNC1C(N)C1C#CCN;IZYVZLKELVLQQK-UHFFFAOYSA-N;139.2;-1.51;;;;;DOPC;MDCG;27;1;"MARTINI bead: SP2_Nd";;;;;;;-0.24;;-5.15;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM446830;MM446830;NCCCNCCCCF;CMMSYMOPLIEBIW-UHFFFAOYSA-N;148.23;0.67;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1_Nda";;;;;;;0.04;;-5.79;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM446831;MM446831;COC1C(C)C1C#CCO;IWCBLQPCYFIUKA-UHFFFAOYSA-N;140.18;0.26;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNa_P2";;;;;;;-0.24;;-3.24;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM446832;MM446832;FCCCCNCCCF;VWHHGQQMHUZORD-UHFFFAOYSA-N;151.2;1.69;;;;;DOPC;MDCG;27;1;"MARTINI bead: C4_P1";;;;;;;1.37;;-2.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM446833;MM446833;COC1C(N)C1C#CCN;DFDBJXNHKNUHNK-UHFFFAOYSA-N;140.19;-1.08;;;;;DOPC;MDCG;27;1;"MARTINI bead: SP1_Nd";;;;;;;0.04;;-4.41;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM446834;MM446834;CCCCCNCCNC;SYFHKIGUPPJUMS-UHFFFAOYSA-N;144.26;0.99;;;;;DOPC;MDCG;27;1;"MARTINI bead: C1_P3";;;;;;;0.94;;-2.31;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM446835;MM446835;COC1C(N)C1C#CCO;ZSDHVZSAGGGIOP-UHFFFAOYSA-N;141.17;-1.05;;;;;DOPC;MDCG;27;1;"MARTINI bead: SP1_Nda";;;;;;;0.04;;-4.18;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM446836;MM446836;CNCCNCCCCN;SWJRQLIVVXKKRH-UHFFFAOYSA-N;145.25;-0.47;;;;;DOPC;MDCG;27;1;"MARTINI bead: P3_Nd";;;;;;;-1.1;;-6.86;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM446837;MM446837;COC1C(N)C1C#CCF;JVPMIQYPSSTZKM-UHFFFAOYSA-N;143.16;-0.07;;;;;DOPC;MDCG;27;1;"MARTINI bead: SP1_Na";;;;;;;0.04;;-3.98;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM446838;MM446838;CNCCNCCCCF;STNVUHSROBGZFY-UHFFFAOYSA-N;148.23;0.55;;;;;DOPC;MDCG;27;1;"MARTINI bead: P3_C4";;;;;;;0.23;;-3.55;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM446839;MM446839;COC1C(O)C1C#CCN;ODGOMCYJDIVWCQ-UHFFFAOYSA-N;141.17;-1.05;;;;;DOPC;MDCG;27;1;"MARTINI bead: SP1_Nd";;;;;;;0.04;;-4.11;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM446840;MM446840;CNCCCNCCCN;RUFPEZGNIWGNQW-UHFFFAOYSA-N;145.25;-0.47;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_P3";;;;;;;-1.1;;-6.96;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM446841;MM446841;CCC#CC1C(CC)N1C;UWEDAUJRHXPUMP-UHFFFAOYSA-N;137.23;1.49;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_SNd";;;;;;;1.64;;0.02;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM446842;MM446842;COCCCNCCCN;LLRMJSJSADDGPK-UHFFFAOYSA-N;146.23;-0.04;;;;;DOPC;MDCG;27;1;"MARTINI bead: Na_P2";;;;;;;-0.24;;-6.15;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM446843;MM446843;CCC1C(C#CCF)N1C;HHULFCRMZNLHIG-UHFFFAOYSA-N;141.19;1.05;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNd_Na";;;;;;;0.87;;-1.88;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM446844;MM446844;COCCCNCCOC;ZFEPKWBVAZOERZ-UHFFFAOYSA-N;147.22;0.26;;;;;DOPC;MDCG;27;1;"MARTINI bead: Na_P1";;;;;;;0.04;;-4.83;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM446845;MM446845;CCC#CC1C(CN)N1C;LFANNEROANOSPH-UHFFFAOYSA-N;138.21;0.04;;;;;DOPC;MDCG;27;1;"MARTINI bead: C5_SP2";;;;;;;0.54;;-2.99;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM446846;MM446846;CN1C(C#CCN)C1CO;YXXSOMOEOBOULT-UHFFFAOYSA-N;140.19;-1.38;;;;;DOPC;MDCG;27;1;"MARTINI bead: SP1_P2";;;;;;;-1.06;;-5.26;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM446847;MM446847;CCCCNCCNCC;JLKNZHQJSOZWKW-UHFFFAOYSA-N;144.26;0.99;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_Nd";;;;;;;0.87;;-4.71;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM446848;MM446848;O=CN(C=O)N=CCF;MPQSQMDENZVAAE-UHFFFAOYSA-N;132.09;-0.44;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_P3";;;;;;;-0.33;;-2.01;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM446849;MM446849;CCCCNCCOCC;XVJLXAOFCWJOCT-UHFFFAOYSA-N;145.25;1.41;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_C5";;;;;;;1.64;;-2.4;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM446850;MM446850;C#CC1(C#N)C=NNC1;VVRHRNGHBVIOKA-UHFFFAOYSA-N;119.13;-0.28;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP1_SP1";;;;;;;-0.79;;-3.13;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM446851;MM446851;CCOCCNCCCN;BBHGGZCJJQKCTR-UHFFFAOYSA-N;146.23;-0.04;;;;;DOPC;MDCG;27;1;"MARTINI bead: Na_P2";;;;;;;-0.24;;-5.85;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM446852;MM446852;CCOCCNCCCF;PBPIWMUWVHXMOU-UHFFFAOYSA-N;149.21;0.97;;;;;DOPC;MDCG;27;1;"MARTINI bead: C5_P1";;;;;;;0.81;;-2.64;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM446853;MM446853;CCN1C(C)C1C#CCF;VVNRWOSCWRZOPB-UHFFFAOYSA-N;141.19;1.05;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNd_Na";;;;;;;0.87;;-1.88;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM446854;MM446854;CCCCCOCCCN;RYCRRVUWQZORFM-UHFFFAOYSA-N;145.25;1.54;;;;;DOPC;MDCG;27;1;"MARTINI bead: C1_P2";;;;;;;1.8;;-1.6;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM446855;MM446855;C=CC#CC1C(C)C1CC;WPGATCUEMSEZBQ-UHFFFAOYSA-N;134.22;2.47;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC3_C4";;;;;;;3.9;;0.47;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM446856;MM446856;CCC1C(C)C1C#CC#N;TWQIFQUZEGDUEF-UHFFFAOYSA-N;133.19;1.81;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC3_N0";;;;;;;2.87;;0.37;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM446857;MM446857;CCCCCOCCCF;OZFSPTDJDVYRAC-UHFFFAOYSA-N;148.22;2.55;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1_P1";;;;;;;2.08;;0.48;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM446858;MM446858;C=CC#CC1C(C)C1CN;BSCWTNMRIGNATG-UHFFFAOYSA-N;135.21;1.02;;;;;DOPC;MDCG;27;1;"MARTINI bead: SNd_C4";;;;;;;2.2;;-2.18;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM446859;MM446859;CCCCOCCCCN;WISMMKARALUELI-UHFFFAOYSA-N;145.25;1.54;;;;;DOPC;MDCG;27;1;"MARTINI bead: Na_Nd";;;;;;;0.87;;-4.67;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM446860;MM446860;O=CN1CCC(F)C=N1;FYKICTKIQHTCBR-UHFFFAOYSA-N;130.12;0.17;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP1_SP1";;;;;;;-0.79;;-3.13;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM446861;MM446861;NCCCCOCCCF;QMXFFCALJCZUIC-UHFFFAOYSA-N;149.21;1.1;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1_C5";;;;;;;0.81;;-3.27;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM446862;MM446862;C=CC#CC1C(N)C1CO;IQOWMPPAJCATHB-UHFFFAOYSA-N;137.18;-0.26;;;;;DOPC;MDCG;27;1;"MARTINI bead: SP2_C4";;;;;;;1.09;;-2.21;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM446863;MM446863;CCCCOCCCCO;OBXQRJAQMQQZMY-UHFFFAOYSA-N;146.23;1.58;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_Nda";;;;;;;0.87;;-1.99;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM446864;MM446864;CCC(C)(O)C1CC1(C)C;DTGTYWXPMMFVJH-UHFFFAOYSA-N;142.24;2.19;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda_SC4";;;;;;;2.2;;0.49;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM446865;MM446865;COCCOCCCCO;IKHQKYVIYAJCGS-UHFFFAOYSA-N;148.2;0.42;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_Nda";;;;;;;0.04;;-2.73;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM446866;MM446866;CCC1C(O)C1C#CC=O;PQIDPQNDSJDKMW-UHFFFAOYSA-N;138.17;0.21;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNda_P1";;;;;;;0.04;;-2.73;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM446867;MM446867;CCCCOCCCNC;AJSLHYYFLOWZMO-UHFFFAOYSA-N;145.25;1.41;;;;;DOPC;MDCG;27;1;"MARTINI bead: Na_Nd";;;;;;;0.87;;-4.77;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM446868;MM446868;C=CC#CC1C(O)C1CO;BPIYAMZTSRSSIX-UHFFFAOYSA-N;138.17;-0.23;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP2_C4";;;;;;;1.09;;-0.38;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM446869;MM446869;CNCCCOCCOC;DGJYUIDSHSWHGC-UHFFFAOYSA-N;147.22;0.26;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nda_P1";;;;;;;0.04;;-5.59;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM446870;MM446870;C=CC#CC1C(F)C1CO;MQUBDXVSYDQMJG-UHFFFAOYSA-N;140.16;0.75;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP1_C4";;;;;;;1.37;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM446871;MM446871;COCCCOCCCN;WVUJISKQDKUCFU-UHFFFAOYSA-N;147.22;0.39;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1_Nda";;;;;;;0.04;;-5.44;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM446872;MM446872;N#CC#CC1C(F)C1CO;IKZVUBSHMMLNDQ-UHFFFAOYSA-N;139.13;0.09;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP1_N0";;;;;;;0.34;;-1.53;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM446873;MM446873;CNCCOCCCOC;SCPGKCMHZICSIZ-UHFFFAOYSA-N;147.22;0.26;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1_Na";;;;;;;0.04;;-4.81;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM446874;MM446874;C=CC#CC1C(C)C1NC;MTGGWCVHKMJJCG-UHFFFAOYSA-N;135.21;1.03;;;;;DOPC;MDCG;27;1;"MARTINI bead: SNd_C4";;;;;;;2.2;;-1.67;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM446875;MM446875;CCNCCOCOCC;IBWCPYWXXBSPQZ-UHFFFAOYSA-N;147.22;0.61;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_Na";;;;;;;0.87;;-4.24;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM446876;MM446876;CNC1C(C)C1C#CC=O;HHTZIUTUSVCXID-UHFFFAOYSA-N;137.18;0.04;;;;;DOPC;MDCG;27;1;"MARTINI bead: SNd_P1";;;;;;;0.04;;-4.59;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM446877;MM446877;CCCCOCOCCN;SKGXRUDTZAZZOW-UHFFFAOYSA-N;147.22;0.74;;;;;DOPC;MDCG;27;1;"MARTINI bead: C4_P3";;;;;;;0.23;;-3.04;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM446878;MM446878;CNC1C(C)C1C#CC#N;GSXOATDHEBSPQB-UHFFFAOYSA-N;134.18;0.37;;;;;DOPC;MDCG;27;1;"MARTINI bead: SNd_N0";;;;;;;1.17;;-3.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM446879;MM446879;NCCCOCOCCN;NRDDEFKABIWNTB-UHFFFAOYSA-N;148.21;-0.72;;;;;DOPC;MDCG;27;1;"MARTINI bead: P2_P2";;;;;;;-1.34;;-7.1;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM446880;MM446880;C=CC#CC1C(N)C1OC;YYUWPGORERWAEP-UHFFFAOYSA-N;137.18;0.15;;;;;DOPC;MDCG;27;1;"MARTINI bead: SP1_C4";;;;;;;1.37;;-1.39;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM446881;MM446881;CCCCOCOCCF;MDFVAIJDOPPIDX-UHFFFAOYSA-N;150.19;1.75;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_Na";;;;;;;0.87;;-2.22;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM446882;MM446882;C=CC#CC1C(O)C1OC;XXGJAVZTYSGVRQ-UHFFFAOYSA-N;138.17;0.18;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP1_C4";;;;;;;1.37;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM446883;MM446883;NCCCOCOCCF;BVUWREFNFBFMND-UHFFFAOYSA-N;151.18;0.3;;;;;DOPC;MDCG;27;1;"MARTINI bead: P3_C5";;;;;;;-0.33;;-4.68;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM446884;MM446884;COC1C(O)C1C#CC=O;FPZSSSIMHXXSIX-UHFFFAOYSA-N;140.14;-0.81;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP1_C5";;;;;;;0.81;;-0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM446885;MM446885;OCCCOCOCCF;BZMLNQLNAXTWAZ-UHFFFAOYSA-N;152.17;0.33;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda_P2";;;;;;;-0.24;;-3.31;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM446886;MM446886;FCCCOCOCCF;OTYMQFRLJMRBAG-UHFFFAOYSA-N;154.16;1.31;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_C5";;;;;;;0.81;;-0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM446887;MM446887;COC1C(O)C1C#CC#N;YJIPEJNXJVYHDS-UHFFFAOYSA-N;137.14;-0.48;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP1_N0";;;;;;;0.34;;-1.53;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM446888;MM446888;CNCCOCOCCN;PNRFIGFYZYTLFK-UHFFFAOYSA-N;148.21;-0.84;;;;;DOPC;MDCG;27;1;"MARTINI bead: P2_P2";;;;;;;-1.34;;-6.77;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM446889;MM446889;CCC1C(C#CC#N)N1C;YHANGEJOIQTLMZ-UHFFFAOYSA-N;134.18;0.61;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNd_N0";;;;;;;1.17;;-1.04;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM446890;MM446890;CNCCOCOCCF;DEOKQSRQWNZWQF-UHFFFAOYSA-N;151.18;0.17;;;;;DOPC;MDCG;27;1;"MARTINI bead: P2_Na";;;;;;;-0.24;;-5.5;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM446891;MM446891;CCC1(O)CCC(C)(C)C1;ZQZPIEUGQMNXSQ-UHFFFAOYSA-N;142.24;2.34;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC5_SC2";;;;;;;3.6;;0.34;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM446892;MM446892;COCCOCOCCO;DNHZKWYLSOGNGK-UHFFFAOYSA-N;150.17;-0.38;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_P2";;;;;;;-1.06;;-3.82;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM446893;MM446893;C=NNCCC(C)(F)C#N;RHCZEOYAECOASX-UHFFFAOYSA-N;143.17;0.83;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_Nd";;;;;;;0.87;;-1.88;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM446894;MM446894;COCOCOCCCN;UIOGFIBBWXSPRV-UHFFFAOYSA-N;149.19;-0.07;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1_P2";;;;;;;-1.06;;-6.53;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM446895;MM446895;C=CC#CC1C(CF)N1C;DLHRDDMHKLYZHA-UHFFFAOYSA-N;139.17;0.83;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNda_N0";;;;;;;1.17;;-1.13;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM446896;MM446896;COCOCOCCCO;YOOXKCFFCOJPCS-UHFFFAOYSA-N;150.17;-0.04;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_P1";;;;;;;-0.79;;-3.13;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM446897;MM446897;CN1C(C#CC#N)C1CF;FLGVXTMVAUBYTL-UHFFFAOYSA-N;138.15;0.17;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNda_N0";;;;;;;1.17;;-1.13;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM446898;MM446898;COCCOCOCOC;PBTAJXOGPUCYBS-UHFFFAOYSA-N;150.17;0.23;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_P2";;;;;;;-0.24;;-3.24;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM446899;MM446899;CCN1C(C)C1C#CC=O;SDBBIPPSGOHYQZ-UHFFFAOYSA-N;137.18;0.28;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNd_P1";;;;;;;0.04;;-2.63;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM446900;MM446900;C#CC#CC1C(C)C1CN;GMBKOKKSNWWGRB-UHFFFAOYSA-N;133.19;0.46;;;;;DOPC;MDCG;27;1;"MARTINI bead: SNd_C4";;;;;;;2.2;;-2.18;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM446901;MM446901;CCOCOCOCCN;SJGBVELIFCYLOX-UHFFFAOYSA-N;149.19;-0.07;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1_P2";;;;;;;-1.06;;-5.85;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM446902;MM446902;C#CC#CC1C(O)C1CC;MFCREPAMRXLVBW-UHFFFAOYSA-N;134.18;0.64;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNda_C4";;;;;;;2.2;;0.49;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM446903;MM446903;CCCCCCCCC=O;GYHFUZHODSMOHU-UHFFFAOYSA-N;142.24;2.94;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1_C5";;;;;;;3.68;;0.46;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM446904;MM446904;C#CC#CC1C(F)C1CO;GQSARHKAGWNDDX-UHFFFAOYSA-N;138.14;0.2;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP1_C4";;;;;;;1.37;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM446905;MM446905;CCCCCCCCC#N;PLZZPPHAMDJOSR-UHFFFAOYSA-N;139.24;3.26;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1_C5";;;;;;;3.68;;0.46;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM446906;MM446906;C#CC#CC1C(N)C1NC;ZMYOARHXMMSXDL-UHFFFAOYSA-N;134.18;-0.83;;;;;DOPC;MDCG;27;1;"MARTINI bead: SP2_C4";;;;;;;1.09;;-2.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM446907;MM446907;C=CC(=O)CN(C=O)N=C;RTZOFCUGZXLXGK-UHFFFAOYSA-N;140.14;-0.18;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_P2";;;;;;;-0.24;;-3.24;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM446908;MM446908;C#CC#CC1C(O)C1OC;RSVYEWFZEYIVII-UHFFFAOYSA-N;136.15;-0.37;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP1_C4";;;;;;;1.37;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM446909;MM446909;N=CNCCCCCCN;NNXCXDHEYYSNGO-UHFFFAOYSA-N;143.23;0.7;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_P1";;;;;;;0.04;;-7.12;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM446910;MM446910;C#CC#CC1C(CC)N1C;XTGKTDSJKAHJJR-UHFFFAOYSA-N;133.19;0.72;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNd_N0";;;;;;;1.17;;-1.04;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM446911;MM446911;N=CNCCCCCCO;DRAWIWJNTCWHOZ-UHFFFAOYSA-N;144.22;0.74;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1_Nd";;;;;;;0.04;;-7.12;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM446912;MM446912;C=NNCCCCCCN;VTTPOHDBKKWPLB-UHFFFAOYSA-N;143.23;0.71;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_Nd";;;;;;;0.87;;-4.92;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM446913;MM446913;C#CC#CC1C(C)N1CC;XCMAQAYWKZJIFR-UHFFFAOYSA-N;133.19;0.72;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNd_C4";;;;;;;2.2;;0.32;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM446914;MM446914;CNCCCCCNC=N;BKSMKLLFPQYHGA-UHFFFAOYSA-N;143.23;0.57;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_P2";;;;;;;-0.24;;-7.57;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM446915;MM446915;C=CC1C(C)C1C#CCF;XPZUFNUAHGGDBU-UHFFFAOYSA-N;138.19;2.03;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC4_Na";;;;;;;2.2;;0.34;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM446916;MM446916;C=NNCCCCCNC;AWESXLLTKGIENX-UHFFFAOYSA-N;143.23;0.58;;;;;DOPC;MDCG;27;1;"MARTINI bead: C5_P2";;;;;;;0.54;;-4.18;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM446917;MM446917;C=CC1C(N)C1C#CCO;ZBJAWUNTUKWNBZ-UHFFFAOYSA-N;137.18;-0.26;;;;;DOPC;MDCG;27;1;"MARTINI bead: SNd_P2";;;;;;;-0.24;;-5.36;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM446918;MM446918;C=NNCCCCCOC;WIYQRPGRAPSVAV-UHFFFAOYSA-N;144.22;1.01;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_Nd";;;;;;;0.87;;-1.88;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM446919;MM446919;C=CC1C(N)C1C#CCF;SCUPTQHFFDTJBY-UHFFFAOYSA-N;139.17;0.72;;;;;DOPC;MDCG;27;1;"MARTINI bead: SNd_Na";;;;;;;0.87;;-4.08;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM446920;MM446920;C=NOCCCCCNC;AIVIXOLVCDKTJM-UHFFFAOYSA-N;144.22;1.01;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_Na";;;;;;;0.87;;-5.01;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM446921;MM446921;C=CC1C(C#CCC)N1C;JBAZPILRFMEAOI-UHFFFAOYSA-N;135.21;1.27;;;;;DOPC;MDCG;27;0;"MARTINI bead: C3_SNd";;;;;;;2.57;;0.53;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM446922;MM446922;CCNCCCCCC#N;OFYMYYARRFPLBF-UHFFFAOYSA-N;140.23;1.68;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_N0";;;;;;;1.17;;-4.24;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM446923;MM446923;C=CC1C(C#CCN)N1C;UCDNIYIGUQVSQO-UHFFFAOYSA-N;136.2;-0.18;;;;;DOPC;MDCG;27;1;"MARTINI bead: SNd_P2";;;;;;;-0.24;;-4.59;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM446924;MM446924;C=NNCCCCNCC;PJMGTGHEGZUOCL-UHFFFAOYSA-N;143.23;0.58;;;;;DOPC;MDCG;27;1;"MARTINI bead: C5_P2";;;;;;;0.54;;-4.26;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM446925;MM446925;CC(NC(=N)C#N)C(F)F;YDUVAPUEUHESBY-UHFFFAOYSA-N;147.13;0.73;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nd_N0";;;;;;;1.17;;-1.04;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM446926;MM446926;C=NOCCCCNCC;OHTOZOGWGFVSHL-UHFFFAOYSA-N;144.22;1.01;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_Na";;;;;;;0.87;;-5.08;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM446927;MM446927;C#CC(=N)NC(C)=C(F)F;PWVBPLPXYQKMJE-UHFFFAOYSA-N;144.12;1.31;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4_P2";;;;;;;1.09;;-0.37;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM446928;MM446928;C=CCCCCCOCC;TWVPMMXQKOWLBX-UHFFFAOYSA-N;142.24;2.77;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_C1";;;;;;;3.68;;0.46;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM446929;MM446929;CCOCCCCCC=O;ICCTYERDPTXYLD-UHFFFAOYSA-N;144.21;1.78;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_C5";;;;;;;2.41;;0.64;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM446930;MM446930;CCC#CC1C(C#N)N1C;WRWCGIJYZWOZFS-UHFFFAOYSA-N;134.18;0.61;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_SP1";;;;;;;0.81;;-0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM446931;MM446931;C=C(C#N)C=NNC(C)C;AQFKXJSCSOAQOE-UHFFFAOYSA-N;137.19;1.05;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nd_N0";;;;;;;1.17;;-1.04;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM446932;MM446932;CCOCCCCCC#N;KQKUDNOGMZSEHG-UHFFFAOYSA-N;141.21;2.11;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_N0";;;;;;;1.94;;0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM446933;MM446933;CCC(C)(O)C1C(C)C1C;YOHHXCNCZONWBR-UHFFFAOYSA-N;142.24;2.05;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda_SC5";;;;;;;1.64;;0.05;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM446934;MM446934;C=NNCCCCOCC;HJDIXWJHMGJHTF-UHFFFAOYSA-N;144.22;1.01;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_Nd";;;;;;;0.87;;-1.88;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM446935;MM446935;CCC#CC1C(C)N1C=N;KIUKCBGHBBESNC-UHFFFAOYSA-N;136.2;1.08;;;;;DOPC;MDCG;27;1;"MARTINI bead: C3_SP1";;;;;;;1.74;;-0.44;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM446936;MM446936;C=COCCCCOCC;BNWLJBLIQDSPHJ-UHFFFAOYSA-N;144.21;1.96;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_C5";;;;;;;2.41;;0.64;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM446937;MM446937;CC1C(C#CCN)N1C=N;BDRBBCFDCLFLJO-UHFFFAOYSA-N;137.19;-0.37;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_SP1";;;;;;;0.04;;-4.04;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM446938;MM446938;C=CCNCCCCCC;SVMFHPLSSJXOTA-UHFFFAOYSA-N;141.26;2.34;;;;;DOPC;MDCG;27;1;"MARTINI bead: C1_Nd";;;;;;;2.91;;-0.31;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM446939;MM446939;CC1C(C#CCO)N1C=N;DPPWOMHUWNOQPB-UHFFFAOYSA-N;138.17;-0.34;;;;;DOPC;MDCG;27;1;"MARTINI bead: P2_SP1";;;;;;;-1.06;;-4.89;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM446940;MM446940;C=CCNCCCCNC;ORZBWLVTKJTTAS-UHFFFAOYSA-N;142.25;0.76;;;;;DOPC;MDCG;27;1;"MARTINI bead: C5_P1";;;;;;;0.81;;-3.69;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM446941;MM446941;CC1C(C#CCF)N1C=N;DQSGUZZSPACPBO-UHFFFAOYSA-N;140.16;0.64;;;;;DOPC;MDCG;27;1;"MARTINI bead: Na_SP1";;;;;;;0.04;;-3.6;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM446942;MM446942;CNCCCCNCC=O;RNJBXCVASXWNBF-UHFFFAOYSA-N;144.22;-0.23;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_P2";;;;;;;-0.24;;-6.17;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM446943;MM446943;CCC#CC1C(C)N1C=O;BKLHEVUIKLEKOM-UHFFFAOYSA-N;137.18;0.63;;;;;DOPC;MDCG;27;0;"MARTINI bead: C3_SP1";;;;;;;1.74;;0.29;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM446944;MM446944;C#CC(=NC)NN=C(C)C;NMZJZDLNXOPOQK-UHFFFAOYSA-N;137.19;0.63;;;;;DOPC;MDCG;27;0;"MARTINI bead: N0_Nd";;;;;;;1.17;;-1.04;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM446945;MM446945;CC1C(C#CCN)N1C=O;YIPLHCOZDCBTKU-UHFFFAOYSA-N;138.17;-0.82;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_SP1";;;;;;;0.04;;-3.77;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM446946;MM446946;N=CNNCCCCCN;VMBWBULUPIIQJS-UHFFFAOYSA-N;144.22;-0.18;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_P4";;;;;;;-1.19;;-7.81;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM446947;MM446947;N=CNNCCCCCO;PZOIJQKIBGFLHR-UHFFFAOYSA-N;145.21;-0.15;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nda_P4";;;;;;;-1.19;;-7.6;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM446948;MM446948;CC1C(C#CCO)N1C=O;CVOQSMCWCYREKG-UHFFFAOYSA-N;139.15;-0.79;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_SP1";;;;;;;-1.06;;-3.82;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM446949;MM446949;CC1C(C#CCF)N1C=O;FZLVIQVWRARUNU-UHFFFAOYSA-N;141.15;0.19;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_SP1";;;;;;;0.04;;-2.54;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM446950;MM446950;CCOCONC(=N)C#N;DCLUTDMCYIPRJE-UHFFFAOYSA-N;143.15;;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_P3";;;;;;;-0.33;;-2.01;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM446951;MM446951;C=NN1C(C)C1C#CCC;PDQIXEUSRFSORZ-UHFFFAOYSA-N;136.2;1.09;;;;;DOPC;MDCG;27;0;"MARTINI bead: C3_SP1";;;;;;;1.74;;0.29;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM446952;MM446952;COCCCCNNC=N;RVGIWBYAVNGQQD-UHFFFAOYSA-N;145.21;0.11;;;;;DOPC;MDCG;27;1;"MARTINI bead: Na_P4";;;;;;;-1.19;;-7.57;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM446953;MM446953;C=CCNCCCNCC;ORDDESLYBWCLRR-UHFFFAOYSA-N;142.25;0.76;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_Nd";;;;;;;0.87;;-5.04;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM446954;MM446954;C=NN1C(C)C1C#CCN;OJBFUUYZWQVIPH-UHFFFAOYSA-N;137.19;-0.36;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_SP1";;;;;;;0.04;;-4.07;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM446955;MM446955;CCNCCCNCC=O;VKXXAOIBNWDSSN-UHFFFAOYSA-N;144.22;-0.23;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_P2";;;;;;;-0.24;;-5.89;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM446956;MM446956;CCC1(O)CC(C)C(C)C1;PDLGBVSOQWTENM-UHFFFAOYSA-N;142.24;2.19;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC5_SC2";;;;;;;3.6;;0.34;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM446957;MM446957;C=CCNCCCOCC;DVIISWBYZQCMOW-UHFFFAOYSA-N;143.23;1.19;;;;;DOPC;MDCG;27;1;"MARTINI bead: C5_Nd";;;;;;;1.64;;-2.19;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM446958;MM446958;C=NN1C(C)C1C#CCF;HJLVLJQYLSNSRS-UHFFFAOYSA-N;140.16;0.65;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_SP1";;;;;;;0.04;;-2.54;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM446959;MM446959;CCOCCCNCC=O;JCSQQSGOFLJURO-UHFFFAOYSA-N;145.2;0.2;;;;;DOPC;MDCG;27;1;"MARTINI bead: C5_P2";;;;;;;0.54;;-2.12;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM446960;MM446960;C=CC#CC1C(C)C1C=C;ZBTDFCBGKXNTPC-UHFFFAOYSA-N;132.21;2.24;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC4_C4";;;;;;;3.53;;0.53;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM446961;MM446961;CC=C(F)C=NNCC#N;HZEUTHYHIMNJNG-UHFFFAOYSA-N;141.15;0.96;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4_P1";;;;;;;1.37;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM446962;MM446962;C=CC1C(C)C1C#CC#N;JAPBZXAYFLRIKS-UHFFFAOYSA-N;131.18;1.58;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC4_N0";;;;;;;2.5;;0.44;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM446963;MM446963;C=CCOCCCCCC;SNUXIIWZWKDULZ-UHFFFAOYSA-N;142.24;2.77;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1_C5";;;;;;;3.68;;0.46;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM446964;MM446964;C=CC#CC1C(C)C1C=O;LLBIPFZBLVUNPU-UHFFFAOYSA-N;134.18;1.26;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNa_C4";;;;;;;2.2;;0.34;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM446965;MM446965;CCCCCCOCC=O;NNBJGVGKBIFRHE-UHFFFAOYSA-N;144.21;1.78;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1_Na";;;;;;;2.91;;0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM446966;MM446966;C=CC#CC1C(C)C1C#N;SCGQCRXLDZDUFD-UHFFFAOYSA-N;131.18;1.58;;;;;DOPC;MDCG;27;0;"MARTINI bead: SN0_C4";;;;;;;2.5;;0.44;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM446967;MM446967;C=CCOCCCCCN;ZMUXUKVYDIQFEY-UHFFFAOYSA-N;143.23;1.32;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_Na";;;;;;;0.87;;-4.68;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM446968;MM446968;CC1C(C#CC#N)C1C=O;CVOVHTXNTFRBSM-UHFFFAOYSA-N;133.15;0.59;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNa_N0";;;;;;;1.17;;-1.18;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM446969;MM446969;CNN=CC(C#N)=C(F)F;GJHPZWFOYROIPL-UHFFFAOYSA-N;145.11;0.87;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_C4";;;;;;;1.09;;-0.38;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM446970;MM446970;C=CC#CC1C(N)C1C=C;AWWPLCGFUSMXBK-UHFFFAOYSA-N;133.19;0.94;;;;;DOPC;MDCG;27;1;"MARTINI bead: SNd_C4";;;;;;;2.2;;-1.62;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM446971;MM446971;C=CCOCCCCNC;RBAOCDGEGZASQZ-UHFFFAOYSA-N;143.23;1.19;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_Na";;;;;;;0.87;;-5.01;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM446972;MM446972;C=CC1C(O)C1C#CC#N;KRTZZNOCYWSESB-UHFFFAOYSA-N;133.15;0.31;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNda_N0";;;;;;;1.17;;-1.13;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM446973;MM446973;C=CCOCCCCOC;YWNSTLCAKRZAMD-UHFFFAOYSA-N;144.21;1.62;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_Na";;;;;;;0.87;;-2.22;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM446974;MM446974;C=CC#CC1C(O)C1C#N;MPLQQANLPLMSFL-UHFFFAOYSA-N;133.15;0.31;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP2_C4";;;;;;;1.09;;-0.38;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM446975;MM446975;N=CNOCCCCCN;ZZXWVKRTVKUAMX-UHFFFAOYSA-N;145.21;0.24;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_P2";;;;;;;-0.24;;-5.98;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM446976;MM446976;C=CC#CC1C(C=C)N1C;ZJXZWBRNONQNPP-UHFFFAOYSA-N;133.19;1.04;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNd_N0";;;;;;;1.17;;-1.04;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM446977;MM446977;O=CNOCCCCCO;BPPKIQXNWUBTQH-UHFFFAOYSA-N;147.17;-0.17;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda_P2";;;;;;;-0.24;;-3.31;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM446978;MM446978;N=c1nnc(=O)cc(N)o1;ZYEDZFZKUCBYDG-UHFFFAOYSA-N;140.1;-1.51;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP3_SP3";;;;;;;-3.07;;-6.15;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM446979;MM446979;CNCCCCONC=O;CMLAQYZPIDCVAN-UHFFFAOYSA-N;146.19;-0.34;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_P2";;;;;;;-0.24;;-6.3;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM446980;MM446980;CCON=CC(=O)COC;UUDTVYGZBHVRKV-UHFFFAOYSA-N;145.16;0.22;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_P1";;;;;;;0.04;;-2.54;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM446981;MM446981;CCNCCCONC=O;CQOGKAMEMNVLIG-UHFFFAOYSA-N;146.19;-0.34;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_P2";;;;;;;-0.24;;-5.95;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM446982;MM446982;C=CC#CC1C(C)N1C=N;MCUUTKUGAIBWFS-UHFFFAOYSA-N;134.18;0.86;;;;;DOPC;MDCG;27;1;"MARTINI bead: C4_SP1";;;;;;;1.37;;-1.01;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM446983;MM446983;C=CCOCCCOCC;QTVOCJMXKBFMSE-UHFFFAOYSA-N;144.21;1.62;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_Na";;;;;;;1.64;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM446984;MM446984;CC1C(C#CC=O)N1C=N;PVONRPQADVGBDG-UHFFFAOYSA-N;136.15;-0.13;;;;;DOPC;MDCG;27;1;"MARTINI bead: C5_SP1";;;;;;;0.81;;-1.55;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM446985;MM446985;CCOCCCOCC#N;CJMYISIOZKNLRM-UHFFFAOYSA-N;143.19;0.95;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_P1";;;;;;;0.81;;-0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM446986;MM446986;CC1C(C#CC#N)N1C=N;YSJSRCPDUCGYOH-UHFFFAOYSA-N;133.15;0.19;;;;;DOPC;MDCG;27;1;"MARTINI bead: N0_SP1";;;;;;;0.34;;-2.58;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM446987;MM446987;CCCNCCCCC#N;RXCAZVBXAGAJKW-UHFFFAOYSA-N;140.23;1.68;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_N0";;;;;;;1.17;;-4.37;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM446988;MM446988;C=CC#CC1C(C)N1C=O;YLEQJCDIUXAVFO-UHFFFAOYSA-N;135.17;0.4;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4_SP1";;;;;;;1.37;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM446989;MM446989;N#CCCCCNCCO;MMPGBZOQSLPHOC-UHFFFAOYSA-N;142.2;0.26;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1_P1";;;;;;;-0.79;;-5.72;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM446990;MM446990;CC1C(C#CC=O)N1C=O;YZUREZLYVXJTNR-UHFFFAOYSA-N;137.14;-0.58;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_SP1";;;;;;;0.81;;-0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM446991;MM446991;N=CNCCCNCCN;WYYFGSPYAGSFJY-UHFFFAOYSA-N;144.22;-0.88;;;;;DOPC;MDCG;27;1;"MARTINI bead: P3_P2";;;;;;;-2.2;;-9.13;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM446992;MM446992;CC1C(C#CC#N)N1C=O;RBUDVNGIDGNWDA-UHFFFAOYSA-N;134.14;-0.26;;;;;DOPC;MDCG;27;0;"MARTINI bead: N0_SP1";;;;;;;0.34;;-1.53;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM446993;MM446993;NCCNCCCNC=O;GYACVCWPLIDWJV-UHFFFAOYSA-N;145.21;-1.33;;;;;DOPC;MDCG;27;1;"MARTINI bead: P2_P3";;;;;;;-2.2;;-7.73;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM446994;MM446994;C=CC#CC1C(C)N1N=C;DVFPSOZIXHXWDL-UHFFFAOYSA-N;134.18;0.86;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4_SP1";;;;;;;1.37;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM446995;MM446995;C=NNCCCNCCC;UWFUUKCVIJVPJL-UHFFFAOYSA-N;143.23;0.58;;;;;DOPC;MDCG;27;1;"MARTINI bead: C5_P2";;;;;;;0.54;;-4.03;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM446996;MM446996;CC#CC(=O)C(N)=CC#N;LSFDUVLCUAEHNQ-UHFFFAOYSA-N;134.14;-0.06;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_P1";;;;;;;0.81;;-0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM446997;MM446997;O=COCCCNCCF;GZZRLPCUXKAECB-UHFFFAOYSA-N;149.17;0.11;;;;;DOPC;MDCG;27;1;"MARTINI bead: P2_Na";;;;;;;-0.24;;-4.67;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM446998;MM446998;CN=C(NN)C(=O)N(C)C;STYQLDIXDGVZLP-UHFFFAOYSA-N;144.18;-1.43;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_P1";;;;;;;-1.06;;-3.82;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM446999;MM446999;C=NOCCCNCCC;OGJDUFBUWJUFQV-UHFFFAOYSA-N;144.22;1.01;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_Na";;;;;;;0.87;;-4.99;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM447000;MM447000;C#CC#CC1C(C)C1C=C;IDLIMWXLTLFWDT-UHFFFAOYSA-N;130.19;1.69;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC4_C4";;;;;;;3.53;;0.53;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM447001;MM447001;CCCNCCNCC=O;SXTYUWYDLYQBFE-UHFFFAOYSA-N;144.22;-0.23;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_P2";;;;;;;-0.24;;-5.41;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM447002;MM447002;C#CC#CC1C(C)C1C#N;ZJVOJLHTSHKJGE-UHFFFAOYSA-N;129.16;1.03;;;;;DOPC;MDCG;27;0;"MARTINI bead: SN0_C4";;;;;;;2.5;;0.44;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM447003;MM447003;C=CCNCCNCCN;QQTDNXGRTOHWRH-UHFFFAOYSA-N;143.23;-0.69;;;;;DOPC;MDCG;27;1;"MARTINI bead: P3_Nd";;;;;;;-1.1;;-6.09;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM447004;MM447004;C#CC#CC1C(N)C1C=C;QRBXSGVWEDFSJE-UHFFFAOYSA-N;131.18;0.38;;;;;DOPC;MDCG;27;1;"MARTINI bead: SNd_C4";;;;;;;2.2;;-1.56;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM447005;MM447005;N#CCNCCNCCO;RVSJIGYJFNRVAJ-UHFFFAOYSA-N;143.19;-1.32;;;;;DOPC;MDCG;27;1;"MARTINI bead: P2_P2";;;;;;;-1.34;;-5.91;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM447006;MM447006;C#CC#CC1C(O)C1C#N;OYHQFUXXDKRASI-UHFFFAOYSA-N;131.13;-0.25;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP2_C4";;;;;;;1.09;;-0.38;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM447007;MM447007;CCCNCCNNC=N;VYFQYYDTSFBYRB-UHFFFAOYSA-N;144.22;-0.31;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_P4";;;;;;;-1.19;;-7.67;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM447008;MM447008;C#CC#CC1C(C=C)N1C;RRPFSAYLZGECJD-UHFFFAOYSA-N;131.18;0.49;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNd_C4";;;;;;;2.2;;0.32;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM447009;MM447009;CCCNCCNNC=O;SOYWSTHZFYBLGF-UHFFFAOYSA-N;145.21;-0.76;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_P4";;;;;;;-1.19;;-6.89;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM447010;MM447010;C=NOC(=NCC)NNC;XHECMFQFGXTQOE-UHFFFAOYSA-N;144.18;-0.28;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_P3";;;;;;;-0.33;;-2.01;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM447011;MM447011;N=CNNCCNCCO;BCWKFTSLWGAJMZ-UHFFFAOYSA-N;146.19;-1.73;;;;;DOPC;MDCG;27;1;"MARTINI bead: P2_P4";;;;;;;-2.29;;-8.74;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM447012;MM447012;C#CC#CC1C(C)N1C=N;UMXBMSZOBHORFF-UHFFFAOYSA-N;132.17;0.3;;;;;DOPC;MDCG;27;1;"MARTINI bead: C4_SP1";;;;;;;1.37;;-1;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM447013;MM447013;C=CCOCCNCCO;NEXHFNNRJLILJC-UHFFFAOYSA-N;145.2;-0.23;;;;;DOPC;MDCG;27;1;"MARTINI bead: P2_Na";;;;;;;-0.24;;-4.99;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM447014;MM447014;C#CC#CC1C(C)N1C=O;RLCYKTSSQHREFI-UHFFFAOYSA-N;133.15;-0.15;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4_SP1";;;;;;;1.37;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM447015;MM447015;O=CCOCCNCCO;LZIAIVMXNNZKSU-UHFFFAOYSA-N;147.17;-1.22;;;;;DOPC;MDCG;27;1;"MARTINI bead: P2_P1";;;;;;;-1.06;;-5.48;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM447016;MM447016;C#CC(C)NC(C#N)=NC;XHQWJKGQIXYTEZ-UHFFFAOYSA-N;135.17;0.15;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_C5";;;;;;;0.54;;-1.09;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM447017;MM447017;N#CCOCCNCCO;HEHNVFZITVLUFL-UHFFFAOYSA-N;144.17;-0.89;;;;;DOPC;MDCG;27;1;"MARTINI bead: P2_P1";;;;;;;-1.06;;-5.58;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM447018;MM447018;C#CC1C(C)C1C#CCN;CLAPBADYPZHMPK-UHFFFAOYSA-N;133.19;0.46;;;;;DOPC;MDCG;27;1;"MARTINI bead: SC5_Nd";;;;;;;1.64;;-1.39;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM447019;MM447019;CCCNCCONC=N;GFDHNUMPESNBIP-UHFFFAOYSA-N;145.21;0.11;;;;;DOPC;MDCG;27;1;"MARTINI bead: C5_P4";;;;;;;-0.41;;-4.68;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM447020;MM447020;C#CC1C(C)C1C#CCO;UCYWBFTXFRFKJE-UHFFFAOYSA-N;134.18;0.5;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC5_P2";;;;;;;0.54;;-1.09;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM447021;MM447021;CCCNCCONC=O;KPEWDTJVOIELFK-UHFFFAOYSA-N;146.19;-0.34;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_P2";;;;;;;-0.24;;-5.72;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM447022;MM447022;C#CC1C(C)C1C#CCF;BJTIWXUIXYSVAX-UHFFFAOYSA-N;136.17;1.47;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC5_Na";;;;;;;1.64;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM447023;MM447023;C#CC1C(N)C1C#CCO;BNYPXDYWRNAJDN-UHFFFAOYSA-N;135.17;-0.81;;;;;DOPC;MDCG;27;1;"MARTINI bead: SP1_P2";;;;;;;-1.06;;-5.71;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM447024;MM447024;N=CNOCCNCCO;IPVMXIATUXENQY-UHFFFAOYSA-N;147.18;-1.3;;;;;DOPC;MDCG;27;1;"MARTINI bead: P2_P3";;;;;;;-2.2;;-7.01;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM447025;MM447025;C#CC1C(F)C1C#CCC;QJOVBGACVQVACJ-UHFFFAOYSA-N;136.17;1.62;;;;;DOPC;MDCG;27;0;"MARTINI bead: C3_SNa";;;;;;;2.57;;0.45;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM447026;MM447026;C=CCCCCOCCC;NZDGFKGKIWGKMS-UHFFFAOYSA-N;142.24;2.77;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_C1";;;;;;;2.91;;0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM447027;MM447027;C#CC1C(F)C1C#CCN;TYZFXPKVWHFSFA-UHFFFAOYSA-N;137.16;0.17;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_SNa";;;;;;;0.87;;-3.36;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM447028;MM447028;CCCOCCCCC#N;MQMBZUFKQJEKOY-UHFFFAOYSA-N;141.21;2.11;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_N0";;;;;;;1.17;;-1.18;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM447029;MM447029;COCOCCCCC=O;UVPKLUFXYWEITO-UHFFFAOYSA-N;146.19;0.98;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_Na";;;;;;;0.87;;-2.22;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM447030;MM447030;C#CC1C(C#CCC)N1C;OEMZSOQKQGNYAC-UHFFFAOYSA-N;133.19;0.72;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_SP1";;;;;;;0.81;;-0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM447031;MM447031;CN=c1oc(N)c(F)n1C;DXWNUJDONOUUNY-UHFFFAOYSA-N;145.14;-0.13;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP1_SNa";;;;;;;0.04;;-2.54;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM447032;MM447032;C#CC1C(C#CCN)N1C;VACRQZKCKKSAER-UHFFFAOYSA-N;134.18;-0.74;;;;;DOPC;MDCG;27;1;"MARTINI bead: SP1_P2";;;;;;;-1.06;;-5.26;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM447033;MM447033;N=CNCCCOCCN;RMTUKSQEFZVCIY-UHFFFAOYSA-N;145.21;-0.45;;;;;DOPC;MDCG;27;1;"MARTINI bead: P2_P2";;;;;;;-1.34;;-8.65;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM447034;MM447034;C#CCNN=CC(F)=CC;GXJTXFHAUQAGDJ-UHFFFAOYSA-N;140.16;1.07;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4_P1";;;;;;;1.37;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM447035;MM447035;N=CNCCCOCCF;QQHVIQFSJCRBBV-UHFFFAOYSA-N;148.18;0.56;;;;;DOPC;MDCG;27;1;"MARTINI bead: Na_P2";;;;;;;-0.24;;-7.57;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM447036;MM447036;C#CC1C(C#CCF)N1C;RFFJKQSCQWBCFZ-UHFFFAOYSA-N;137.16;0.28;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP1_Na";;;;;;;0.04;;-2.54;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM447037;MM447037;C=NNCCCOCCC;ZDFBAFUUGDYYHW-UHFFFAOYSA-N;144.22;1.01;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_Nd";;;;;;;0.87;;-1.88;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM447038;MM447038;C#CC1C(C)C1C#CC=O;MWEWXHFYCCYZSH-UHFFFAOYSA-N;132.16;0.7;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC5_P1";;;;;;;0.81;;-0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM447039;MM447039;C#CC1C(C)C1C#CC#N;LNNJKQRCANWEAX-UHFFFAOYSA-N;129.16;1.03;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC5_N0";;;;;;;1.94;;0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM447040;MM447040;C=NNCCCOCCN;KRLRFDCHGKSYJI-UHFFFAOYSA-N;145.21;-0.44;;;;;DOPC;MDCG;27;1;"MARTINI bead: P2_Nd";;;;;;;-0.24;;-5.2;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM447041;MM447041;C#CC1C(N)C1C#CC=C;UBSMKOGAUNCDTA-UHFFFAOYSA-N;131.18;0.38;;;;;DOPC;MDCG;27;1;"MARTINI bead: SP1_C4";;;;;;;1.37;;-1.82;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM447042;MM447042;O=COCCCOCCO;KLJVONOCYSKYIQ-UHFFFAOYSA-N;148.16;-0.44;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_Na";;;;;;;-0.24;;-3.24;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM447043;MM447043;C=NOCCCOCCN;VWIAODGEVIGRRU-UHFFFAOYSA-N;146.19;-0.02;;;;;DOPC;MDCG;27;1;"MARTINI bead: P2_Na";;;;;;;-0.24;;-5.28;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM447044;MM447044;C#CC1C(C#CC=C)N1C;ZGLCNOGUWKDDPC-UHFFFAOYSA-N;131.18;0.49;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP1_N0";;;;;;;0.34;;-1.53;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM447045;MM447045;C=COCCCOCOC;JUEFKOARIZIBSC-UHFFFAOYSA-N;146.19;1.16;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_Na";;;;;;;0.87;;-2.22;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM447046;MM447046;C#CC1C(C#CC=O)N1C;ALEJZXBWMLEHIK-UHFFFAOYSA-N;133.15;-0.5;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP1_P1";;;;;;;-0.79;;-3.13;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM447047;MM447047;C=CCNCCOCCC;CNSNLWWEWWJXTF-UHFFFAOYSA-N;143.23;1.19;;;;;DOPC;MDCG;27;1;"MARTINI bead: Na_Nd";;;;;;;0.87;;-3.56;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM447048;MM447048;C#CC#CC1C(C)C1C#C;WYEPPAMINKOJJS-UHFFFAOYSA-N;128.17;1.14;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC5_C4";;;;;;;2.97;;0.45;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM447049;MM447049;C=CCNCCOCCO;YFTDPWNFUNADCK-UHFFFAOYSA-N;145.2;-0.23;;;;;DOPC;MDCG;27;1;"MARTINI bead: P2_Nd";;;;;;;-0.24;;-4.83;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM447050;MM447050;C#CC#CC1C(F)C1C#C;HCWNUERUOOCGBW-UHFFFAOYSA-N;132.14;0.84;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNa_C4";;;;;;;2.2;;0.34;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM447051;MM447051;N#CCNCCOCCF;RQNDZQVIZVMRNQ-UHFFFAOYSA-N;146.17;0.09;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_P2";;;;;;;-0.24;;-3.24;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM447052;MM447052;C#CC#CC1C(C#C)N1C;MQWOIFPBGLGDRM-UHFFFAOYSA-N;129.16;-0.06;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP1_N0";;;;;;;0.34;;-1.53;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM447053;MM447053;C=CCOCCOCCN;ADVVGPJEJJVXFX-UHFFFAOYSA-N;145.2;0.16;;;;;DOPC;MDCG;27;1;"MARTINI bead: P2_Na";;;;;;;-0.24;;-5.28;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM447054;MM447054;CC=NNCC=C(C)C#N;USUXYNPCQDHIJA-UHFFFAOYSA-N;137.19;1.05;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nd_N0";;;;;;;1.17;;-1.04;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM447055;MM447055;C=NNCC1CC1(F)C#N;JEMVGCBMBHLMQR-UHFFFAOYSA-N;141.15;0.44;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNa_P2";;;;;;;-0.24;;-3.24;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM447056;MM447056;C=CCOCCOCCO;DIOZVWSHACHNRT-UHFFFAOYSA-N;146.19;0.2;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_Na";;;;;;;0.04;;-2.54;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM447057;MM447057;CN=c1o[nH]c(=O)n1OC;CSQAQYQITBCZAR-UHFFFAOYSA-N;145.12;-1.64;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP1_SP1";;;;;;;-0.79;;-3.13;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM447058;MM447058;O=CCOCCOCCO;UKSDOCCELISUDS-UHFFFAOYSA-N;148.16;-0.79;;;;;DOPC;MDCG;27;0;"MARTINI bead: P3_Na";;;;;;;-1.1;;-4.2;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM447059;MM447059;C=CCOCCOCCF;BLTPEAYXJWBISQ-UHFFFAOYSA-N;148.18;1.18;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_Na";;;;;;;0.87;;-2.22;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM447060;MM447060;COn1c(=O)[nH]oc1=NN;XPWTWLJOECCIRB-UHFFFAOYSA-N;146.11;-2.4;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP2_SP1";;;;;;;-1.06;;-3.82;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM447061;MM447061;C=Nn1c(=N)[nH]oc1=NN;RFLLYTNYKLRZSE-UHFFFAOYSA-N;142.12;-1.87;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP1_SP2";;;;;;;-1.06;;-3.82;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM447062;MM447062;COCOCCOCC=O;IXTJTTWABJSXRI-UHFFFAOYSA-N;148.16;-0.18;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_Na";;;;;;;-0.24;;-3.24;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM447063;MM447063;N#CC(C(=O)O)=C(N)N;FFMMITQHOUIVKS-UHFFFAOYSA-N;127.1;-1.28;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_P1";;;;;;;-0.79;;-9.07;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM447064;MM447064;COCOCCOCC#N;AUTKSCQQDLRESV-UHFFFAOYSA-N;145.16;0.15;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_Na";;;;;;;-0.24;;-3.24;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM447065;MM447065;C=C(C#N)OC(=O)C(=O)O;JRSZARQEBQWRFD-UHFFFAOYSA-N;141.08;-0.35;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_N0";;;;;;;0.34;;-7.4;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM447066;MM447066;NCCOCCONC=O;GFXZZHJCLRWKPP-UHFFFAOYSA-N;148.16;-1.36;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1_P4";;;;;;;-2.01;;-7.35;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM447067;MM447067;CC=c1occ(C)c1=CC;NZRSCXIBEMLXTO-UHFFFAOYSA-N;136.19;1.19;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC5_SC4";;;;;;;2.97;;0.45;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM447068;MM447068;CCCCCNCCC=O;QVTOKMLPEOPKNH-UHFFFAOYSA-N;143.23;1.36;;;;;DOPC;MDCG;27;1;"MARTINI bead: C1_P1";;;;;;;2.08;;-1;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM447069;MM447069;CC=c1occ(F)c1=CC;MJIOFJJJWFEQIP-UHFFFAOYSA-N;140.16;1.02;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNa_SC4";;;;;;;2.2;;0.34;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM447070;MM447070;C=CCCNCCCCO;UNXOCCMKVZFNOU-UHFFFAOYSA-N;143.23;0.92;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nda_Nd";;;;;;;0.87;;-4.86;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM447071;MM447071;C=CCCNCCCCF;OHZQZNGHACYZIU-UHFFFAOYSA-N;145.22;1.9;;;;;DOPC;MDCG;27;1;"MARTINI bead: C4_Nd";;;;;;;2.2;;-2.66;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM447072;MM447072;C=NN(C=N)C(=O)C=CN;ZSHCEVZHSGBSSI-UHFFFAOYSA-N;140.15;-0.49;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_P2";;;;;;;-1.06;;-3.82;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM447073;MM447073;C=CCCNCCCOC;SMXMBMWTUWYTOR-UHFFFAOYSA-N;143.23;1.19;;;;;DOPC;MDCG;27;1;"MARTINI bead: Na_Nd";;;;;;;0.87;;-4.91;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM447074;MM447074;C#CC1CC(C#CC)=NN1;KCAMNENPHVXENA-UHFFFAOYSA-N;132.17;0.36;;;;;DOPC;MDCG;27;0;"MARTINI bead: SN0_SP1";;;;;;;0.34;;-1.53;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM447075;MM447075;C=CCCNCCNCC;PLGMZNUVTDTPED-UHFFFAOYSA-N;142.25;0.76;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_Nd";;;;;;;0.87;;-4.66;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM447076;MM447076;CNn1onc(CF)c1=O;UUIYCQQBLWRCPQ-UHFFFAOYSA-N;147.11;-0.52;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP3_SNa";;;;;;;-1.1;;-4.2;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM447077;MM447077;C=CCCNCCOCC;KLNSKDOVKOVPHP-UHFFFAOYSA-N;143.23;1.19;;;;;DOPC;MDCG;27;1;"MARTINI bead: C5_Nd";;;;;;;1.64;;-2.31;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM447078;MM447078;CC1NN=CC1(C)F;LOAMDIDHPHELRK-UHFFFAOYSA-N;116.14;0.69;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP1_SNa";;;;;;;0.04;;-2.54;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM447079;MM447079;C=CCCOCCCCC;FQPROQVKYHVVFF-UHFFFAOYSA-N;142.24;2.77;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1_Na";;;;;;;2.91;;0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM447080;MM447080;C=Cc1con(O)c1=NO;DDJOPIHBXIYJPH-UHFFFAOYSA-N;142.11;0.25;;;;;DOPC;MDCG;27;0;"MARTINI bead: SN0_SP2";;;;;;;0.06;;-2.21;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM447081;MM447081;C=CCCOCCCCN;HCQCXMDRTNRMJY-UHFFFAOYSA-N;143.23;1.32;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_C5";;;;;;;1.64;;-2.69;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM447082;MM447082;C=Cc1non(C)c1=NC;OQDAWYHYRBESAR-UHFFFAOYSA-N;139.16;0.19;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNa_SP1";;;;;;;0.04;;-2.54;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM447083;MM447083;C=CCCOCCCNC;XKOTVZIARSHWJU-UHFFFAOYSA-N;143.23;1.19;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_C5";;;;;;;1.64;;-2.79;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM447084;MM447084;C=Cc1non(N)c1=NC;FRPMPMKJVVJKII-UHFFFAOYSA-N;140.15;-0.64;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNa_SP2";;;;;;;-0.24;;-3.24;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM447085;MM447085;CNCCCOCCC=O;KMRWLCIZOCGVHU-UHFFFAOYSA-N;145.2;0.2;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_P1";;;;;;;0.04;;-5.42;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM447086;MM447086;Nc1cc(=O)n(N)o1;LAVXBWOBSUGIGC-UHFFFAOYSA-N;115.09;-1.26;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP1_SP2";;;;;;;-1.06;;-3.82;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM447087;MM447087;CCCCCOCOC=O;SMWLLOSCAFXYFW-UHFFFAOYSA-N;146.19;1.32;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1_P2";;;;;;;1.8;;0.4;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM447088;MM447088;CCCCCC1CC1CC;NGPAWDWHJZHYDU-UHFFFAOYSA-N;140.27;3.61;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1_SC3";;;;;;;4.61;;0.31;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM447089;MM447089;CN=C(C#N)NOCCF;LRCCYMUXXSSXLH-UHFFFAOYSA-N;145.14;0.03;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_Na";;;;;;;0.04;;-2.54;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM447090;MM447090;N#CC12CC1C=NO2;QDSVCQAXDLFRLM-UHFFFAOYSA-N;108.1;0.28;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP2_SP1";;;;;;;-1.06;;-3.82;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM447091;MM447091;C=COCOCCCOC;VLTDOTJWDJBYLN-UHFFFAOYSA-N;146.19;1.16;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_Na";;;;;;;0.87;;-2.22;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM447092;MM447092;CCOCCC1CC1CC;MAOUAHSFHVMKOO-UHFFFAOYSA-N;142.24;2.46;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_SC3";;;;;;;3.34;;0.48;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM447093;MM447093;COCCCOCOC=O;XAUMVALAMUAGKU-UHFFFAOYSA-N;148.16;0.17;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_P1";;;;;;;0.04;;-2.54;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM447094;MM447094;CCOCCC1CC1CN;AOPUSRROJTVIPM-UHFFFAOYSA-N;143.23;1.01;;;;;DOPC;MDCG;27;1;"MARTINI bead: C5_SNd";;;;;;;1.64;;-2.7;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM447095;MM447095;C=CCCOCCOCC;FUYFSDDVATXNCV-UHFFFAOYSA-N;144.21;1.62;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_C5";;;;;;;1.64;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM447096;MM447096;CCN(C)NC(=N)C#N;NNXLPHBREHDTJI-UHFFFAOYSA-N;126.16;-0.06;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_P1";;;;;;;-0.79;;-3.13;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM447097;MM447097;CCOCCOCCC=O;HMJYMPSQSRSWMR-UHFFFAOYSA-N;146.19;0.63;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_P2";;;;;;;0.54;;-1.09;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM447098;MM447098;CCOCCC1CC1CF;JNTSVKNNILAYIG-UHFFFAOYSA-N;146.21;2.02;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_SC5";;;;;;;2.41;;0.64;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM447099;MM447099;CCOCCOCCC#N;OKZGPYSFZAVQFG-UHFFFAOYSA-N;143.19;0.95;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_P2";;;;;;;0.54;;-1.09;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM447100;MM447100;NCCNCC1CC1CN;JSEHYHWUIKJENO-UHFFFAOYSA-N;143.23;-0.87;;;;;DOPC;MDCG;27;1;"MARTINI bead: P3_SNd";;;;;;;-1.1;;-6.98;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM447101;MM447101;C=COCOCCOCC;GAPQHFNNSYQMOJ-UHFFFAOYSA-N;146.19;1.16;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_Na";;;;;;;0.87;;-2.22;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM447102;MM447102;CCC1CC1COCCN;VBGODMTZDMGAKY-UHFFFAOYSA-N;143.23;1.01;;;;;DOPC;MDCG;27;1;"MARTINI bead: SC3_P2";;;;;;;1.46;;-2.07;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM447103;MM447103;CCCOCOCCC#N;KYIOPZFUBKETRG-UHFFFAOYSA-N;143.19;1.3;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_Na";;;;;;;0.87;;-2.22;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM447104;MM447104;COC1CC1COCCN;UUVAHBSMIGJPKL-UHFFFAOYSA-N;145.2;;;;;;DOPC;MDCG;27;1;"MARTINI bead: SNa_P2";;;;;;;-0.24;;-5.28;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM447105;MM447105;COCOCOCCC#N;VSNWUJBCRZFDHZ-UHFFFAOYSA-N;145.16;0.49;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_Na";;;;;;;-0.24;;-3.24;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM447106;MM447106;CCC1CC1NCCCF;YITLXPJTYGCEFO-UHFFFAOYSA-N;145.22;1.73;;;;;DOPC;MDCG;27;1;"MARTINI bead: SC3_P1";;;;;;;1.74;;-1.96;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM447107;MM447107;C=COCOCOCOC;GUFBBQPSTYRWGZ-UHFFFAOYSA-N;148.16;0.7;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_Na";;;;;;;-0.24;;-3.24;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM447108;MM447108;NCCCNC1CC1CN;KNENBSBEZNXSOG-UHFFFAOYSA-N;143.23;-0.73;;;;;DOPC;MDCG;27;1;"MARTINI bead: P3_SNd";;;;;;;-1.1;;-6.76;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM447109;MM447109;C=NOCOCOCOC;MHPHGFOEZJDJIB-UHFFFAOYSA-N;149.15;0.17;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_P1";;;;;;;-0.79;;-3.13;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM447110;MM447110;CNC1CC1NCCCN;AZGWQFUKIRQAJZ-UHFFFAOYSA-N;143.23;-0.71;;;;;DOPC;MDCG;27;1;"MARTINI bead: SNd_P3";;;;;;;-1.1;;-6.48;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM447111;MM447111;C=CCCCNCCCC;WPJGFQBNJSLLBE-UHFFFAOYSA-N;141.26;2.34;;;;;DOPC;MDCG;27;1;"MARTINI bead: C1_Nd";;;;;;;2.91;;-1.09;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM447112;MM447112;CCC1CC1OCCCO;BEQPWMYPBULPFC-UHFFFAOYSA-N;144.21;1.18;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC3_P3";;;;;;;0.6;;-0.8;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM447113;MM447113;CCCCNCCCC#N;BNTUCOGDQHOFHZ-UHFFFAOYSA-N;140.23;1.68;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_N0";;;;;;;1.17;;-3.42;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM447114;MM447114;CCOCOC1CC1NC;FDAAFXPJZKISMG-UHFFFAOYSA-N;145.2;0.36;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1_SNd";;;;;;;0.04;;-4.48;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM447115;MM447115;C=CCCCNCCCO;BFAJKKPWCNQSOI-UHFFFAOYSA-N;143.23;0.92;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nda_Nd";;;;;;;0.87;;-4.78;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM447116;MM447116;NCCCCC1NC1CO;YTRFEDHIBPUOLI-UHFFFAOYSA-N;144.22;-0.55;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_SP2";;;;;;;-0.24;;-5.94;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM447117;MM447117;C=CCCCNCCCF;CUFOXJPQZLIUGY-UHFFFAOYSA-N;145.22;1.9;;;;;DOPC;MDCG;27;1;"MARTINI bead: C4_Nd";;;;;;;2.2;;-2.42;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM447118;MM447118;CCNCCC1NC1CC;XDQWLRURXSNOJR-UHFFFAOYSA-N;142.25;0.74;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_SNd";;;;;;;0.87;;-4.95;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM447119;MM447119;CNCCNCCCC=O;RGBJZXPLNLQRTL-UHFFFAOYSA-N;144.22;-0.23;;;;;DOPC;MDCG;27;1;"MARTINI bead: P3_C5";;;;;;;-0.33;;-4.34;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM447120;MM447120;CCOCCC1NC1CF;JKTJDTFOZRIOMM-UHFFFAOYSA-N;147.19;0.72;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_SP1";;;;;;;0.81;;-0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM447121;MM447121;C=NNCCNCCCC;XPABLOJFVFSKBS-UHFFFAOYSA-N;143.23;0.58;;;;;DOPC;MDCG;27;1;"MARTINI bead: C5_P2";;;;;;;0.54;;-2.99;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM447122;MM447122;CCOCCC1OC1CC;MZWCMXNWQUKVGB-UHFFFAOYSA-N;144.21;1.59;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_SNa";;;;;;;1.64;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM447123;MM447123;C=NNCCNCCCN;SGHSAGPKAROAOG-UHFFFAOYSA-N;144.22;-0.87;;;;;DOPC;MDCG;27;1;"MARTINI bead: P3_Nd";;;;;;;-1.1;;-6.42;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM447124;MM447124;CCN1CC1CCCCN;AWMLMDOUPINFJN-UHFFFAOYSA-N;142.25;0.82;;;;;DOPC;MDCG;27;1;"MARTINI bead: SNd_Nd";;;;;;;0.87;;-4.92;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM447125;MM447125;C=NNCCNCCCO;VKWBESVEQWOHNQ-UHFFFAOYSA-N;145.21;-0.84;;;;;DOPC;MDCG;27;1;"MARTINI bead: P2_P2";;;;;;;-1.34;;-5.71;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM447126;MM447126;CCN1CC1CNCCN;FDENWPCNGWPNJJ-UHFFFAOYSA-N;143.23;-0.76;;;;;DOPC;MDCG;27;1;"MARTINI bead: SNd_P3";;;;;;;-1.1;;-6.28;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM447127;MM447127;C=NNCCNCCCF;KBKZKCJODSRJGP-UHFFFAOYSA-N;147.2;0.14;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nda_P2";;;;;;;-0.24;;-4.86;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM447128;MM447128;NCCCCN1CC1CN;VJXSVBCCELOWOH-UHFFFAOYSA-N;143.23;-0.63;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_SP2";;;;;;;-0.24;;-5.99;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM447129;MM447129;CNCCNCCNC=N;QTALQWMSFCTKGX-UHFFFAOYSA-N;144.22;-1.01;;;;;DOPC;MDCG;27;1;"MARTINI bead: P3_P2";;;;;;;-2.2;;-9.02;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM447130;MM447130;CCNCCN1CC1CC;ANDPWVFCHAGCBY-UHFFFAOYSA-N;142.25;0.69;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_SNd";;;;;;;0.87;;-4.73;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM447131;MM447131;C=NNCCNCCNC;FLYKSKBJEIGQDV-UHFFFAOYSA-N;144.22;-1;;;;;DOPC;MDCG;27;1;"MARTINI bead: P3_Nd";;;;;;;-1.1;;-6.08;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM447132;MM447132;CCOCCN1CC1CN;CPULWELYLJDRMY-UHFFFAOYSA-N;144.22;-0.33;;;;;DOPC;MDCG;27;1;"MARTINI bead: C5_SP2";;;;;;;0.54;;-3.02;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM447133;MM447133;C=COCCNCCCN;UOPBQLLCSTUNLL-UHFFFAOYSA-N;144.22;0.08;;;;;DOPC;MDCG;27;1;"MARTINI bead: P3_C5";;;;;;;-0.33;;-4.6;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM447134;MM447134;CCC1CC1CCCC#N;OJBGOZGOPDWULW-UHFFFAOYSA-N;137.23;2.73;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC3_N0";;;;;;;2.87;;0.37;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM447135;MM447135;C=NOCCNCCCC;FMTVQQXTGRCQDP-UHFFFAOYSA-N;144.22;1.01;;;;;DOPC;MDCG;27;1;"MARTINI bead: C5_P1";;;;;;;0.81;;-2.12;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM447136;MM447136;C=COCCC1CC1CN;WYXCXMLRGBDEPV-UHFFFAOYSA-N;141.21;1.13;;;;;DOPC;MDCG;27;1;"MARTINI bead: SNd_Na";;;;;;;0.87;;-4.68;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM447137;MM447137;C=NOCCNCCCF;LPDQZBCNSLSCOC-UHFFFAOYSA-N;148.18;0.57;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nda_P1";;;;;;;0.04;;-4;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM447138;MM447138;C=CCNCC1CC1CC;JKLOGUXRWUTCGM-UHFFFAOYSA-N;139.24;1.81;;;;;DOPC;MDCG;27;1;"MARTINI bead: SC3_Nd";;;;;;;2.57;;-1.27;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM447139;MM447139;C=COCCNCCNC;LBKACGYWLIVCMZ-UHFFFAOYSA-N;144.22;-0.04;;;;;DOPC;MDCG;27;1;"MARTINI bead: P3_C5";;;;;;;-0.33;;-4.22;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM447140;MM447140;CCC1CC1CNCC#N;KPTSEDCQKCIRQY-UHFFFAOYSA-N;138.21;1.15;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC3_P2";;;;;;;1.46;;-0.14;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM447141;MM447141;C=CCCCOCCCC;CPBCAWGRKAFJKP-UHFFFAOYSA-N;142.24;2.77;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_C1";;;;;;;2.91;;0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM447142;MM447142;CCN(N)C(=O)C=CN;UZDSINKXBYCVHH-UHFFFAOYSA-N;129.16;-0.82;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_P1";;;;;;;-1.06;;-3.82;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM447143;MM447143;CCCCOCCCC=O;MIRVINBPUOUWBD-UHFFFAOYSA-N;144.21;1.78;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_C5";;;;;;;1.64;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM447144;MM447144;C=CCNCC1CC1CF;RYFIJTLQLOFQLJ-UHFFFAOYSA-N;143.21;1.37;;;;;DOPC;MDCG;27;1;"MARTINI bead: SC5_Nd";;;;;;;1.64;;-2.45;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM447145;MM447145;C=CCCCOCCCN;ZLTJFAZXAHOBKL-UHFFFAOYSA-N;143.23;1.32;;;;;DOPC;MDCG;27;1;"MARTINI bead: P2_C1";;;;;;;1.8;;-1.6;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM447146;MM447146;N#CCNCC1CC1CF;QFIWQRYUGBHATI-UHFFFAOYSA-N;142.18;0.71;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC5_P2";;;;;;;0.54;;-1.09;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM447147;MM447147;CNCCOCCCC=O;PNSKVZCYQDXEFH-UHFFFAOYSA-N;145.2;0.2;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1_Na";;;;;;;0.04;;-4.71;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM447148;MM447148;CCC1CC1CNNC=N;PWRKCHLZPGKSRM-UHFFFAOYSA-N;141.22;0.73;;;;;DOPC;MDCG;27;1;"MARTINI bead: SC3_P4";;;;;;;0.52;;-4.35;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM447149;MM447149;O=CNCCOCCCF;DVCSQXPZEWKVON-UHFFFAOYSA-N;149.17;0.11;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_P3";;;;;;;-0.33;;-2.01;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM447150;MM447150;C=CCOCC1CC1CC;PUTPYTJGQKUWGN-UHFFFAOYSA-N;140.23;2.24;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC3_Na";;;;;;;2.57;;0.45;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM447151;MM447151;O=CC=C1C=C(CF)NN1;NSAITVQDIMNHAT-UHFFFAOYSA-N;142.13;0.03;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP2_SP2";;;;;;;-1.34;;-4.31;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM447152;MM447152;CCC1CC1COCC=O;DIJBTIRZSFPIDR-UHFFFAOYSA-N;142.2;1.25;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC3_P1";;;;;;;1.74;;0.29;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM447153;MM447153;NCCCOCCOC=O;STGRXMIKPZVGBV-UHFFFAOYSA-N;147.17;-0.48;;;;;DOPC;MDCG;27;1;"MARTINI bead: P2_P1";;;;;;;-1.06;;-6.53;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM447154;MM447154;CCC1CC1COCC#N;KBZYUYXUSBARCF-UHFFFAOYSA-N;139.2;1.57;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC3_P1";;;;;;;1.74;;0.29;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM447155;MM447155;C=NOCCOCCCN;MTOCOKGPPUZQRT-UHFFFAOYSA-N;146.19;-0.02;;;;;DOPC;MDCG;27;1;"MARTINI bead: P2_Na";;;;;;;-0.24;;-5.95;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM447156;MM447156;C=CCOCC1CC1CN;DORCRFMLRRCSPZ-UHFFFAOYSA-N;141.21;0.78;;;;;DOPC;MDCG;27;1;"MARTINI bead: SNd_Na";;;;;;;0.87;;-4.68;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM447157;MM447157;C=NOCCOCCNC;NXLCWAUVSAFWKK-UHFFFAOYSA-N;146.19;-0.15;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1_P1";;;;;;;-0.79;;-5.41;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM447158;MM447158;CNC1CC1CCCC=O;MJKMIFMKILYSTI-UHFFFAOYSA-N;141.21;0.96;;;;;DOPC;MDCG;27;1;"MARTINI bead: SNd_C5";;;;;;;1.64;;-2.6;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM447159;MM447159;C=COCCOCCOC;MBQIGVLDESBKFG-UHFFFAOYSA-N;146.19;0.81;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_C5";;;;;;;0.54;;-1.09;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM447160;MM447160;C=CCOCC1CC1NC;NKKVPJFHSNKQLY-UHFFFAOYSA-N;141.21;0.8;;;;;DOPC;MDCG;27;1;"MARTINI bead: SNd_Na";;;;;;;0.87;;-4.45;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM447161;MM447161;CCOCOCCCC=O;IFTLLDHIZIQYSA-UHFFFAOYSA-N;146.19;0.98;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_Na";;;;;;;0.87;;-2.22;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM447162;MM447162;COC1CC1CNNC=N;QDPMSAMXMLPHCT-UHFFFAOYSA-N;143.19;-0.28;;;;;DOPC;MDCG;27;1;"MARTINI bead: SNa_P4";;;;;;;-1.19;;-7.57;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM447163;MM447163;CCOCOCCCC#N;CJVPQCSFCDSGDW-UHFFFAOYSA-N;143.19;1.3;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_N0";;;;;;;0.34;;-1.53;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM447164;MM447164;C=CCOCC1CC1OC;IKPDHJOBLZYLIE-UHFFFAOYSA-N;142.2;1.22;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNa_Na";;;;;;;0.87;;-2.22;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM447165;MM447165;C=COCCOCOCC;WTKHVPSIWSAMBM-UHFFFAOYSA-N;146.19;1.16;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_Na";;;;;;;0.87;;-2.22;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM447166;MM447166;COC1CC1COCC=O;MHUFJCAMOCDLRY-UHFFFAOYSA-N;144.17;0.24;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNa_P1";;;;;;;0.04;;-2.54;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM447167;MM447167;CCOCOCCOC=O;NSCMJNQYRDDJDG-UHFFFAOYSA-N;148.16;0.17;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_P1";;;;;;;0.04;;-2.54;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM447168;MM447168;COC1CC1COCC#N;CLVKLTXNPQHNPH-UHFFFAOYSA-N;141.17;0.56;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNa_P1";;;;;;;0.04;;-2.54;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM447169;MM447169;N#CCOCOCCCO;QAXISXGVXXQNPD-UHFFFAOYSA-N;145.16;-0.12;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda_P2";;;;;;;-0.24;;-3.31;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM447170;MM447170;C=CCCNC1CC1CC;FWQKWPZAUYNOHL-UHFFFAOYSA-N;139.24;1.95;;;;;DOPC;MDCG;27;1;"MARTINI bead: SC3_Nd";;;;;;;2.57;;-1.63;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM447171;MM447171;C=CCOCOCCCF;ZOLDWODBYKNQQM-UHFFFAOYSA-N;148.18;1.52;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_Na";;;;;;;0.87;;-2.22;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM447172;MM447172;C=CCCNC1CC1CF;SGSZBHQDGNDKIT-UHFFFAOYSA-N;143.21;1.51;;;;;DOPC;MDCG;27;1;"MARTINI bead: SC5_Nd";;;;;;;1.64;;-2.44;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM447173;MM447173;O=CCOCOCCCF;ROWXNASXPHRLAF-UHFFFAOYSA-N;150.15;0.54;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_Na";;;;;;;0.04;;-2.54;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM447174;MM447174;CNC1CC1NCCC#N;YHJHBXTWQYKUKM-UHFFFAOYSA-N;139.2;-0.15;;;;;DOPC;MDCG;27;1;"MARTINI bead: SNd_P2";;;;;;;-0.24;;-4.91;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM447175;MM447175;CNCCOCOCC#N;XCUMHQWPFOBPLR-UHFFFAOYSA-N;144.17;-0.28;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_P2";;;;;;;-0.24;;-5.43;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM447176;MM447176;C=CCNCC1NC1CO;GPYRADLXWBZZAW-UHFFFAOYSA-N;142.2;-0.91;;;;;DOPC;MDCG;27;1;"MARTINI bead: SP2_Nd";;;;;;;-0.24;;-4.36;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM447177;MM447177;COCCOCOCC=O;DSEGJZKOPQHCRA-UHFFFAOYSA-N;148.16;-0.18;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_Na";;;;;;;-0.24;;-3.24;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM447178;MM447178;C=CCOCC1NC1CF;YEZDFVGGJQMANM-UHFFFAOYSA-N;145.18;0.5;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP1_Na";;;;;;;0.04;;-2.54;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM447179;MM447179;N=CNOCOCCCO;UVLPTTIMAMFYMD-UHFFFAOYSA-N;148.16;-0.53;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nda_P4";;;;;;;-1.19;;-6.4;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM447180;MM447180;CCC1OC1COCC#N;PYRXYUWYNAXUOF-UHFFFAOYSA-N;141.17;0.7;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNa_P1";;;;;;;0.04;;-2.54;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM447181;MM447181;O=CNOCOCCCO;QZBGPRHHDJVPNW-UHFFFAOYSA-N;149.15;-0.98;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda_P4";;;;;;;-1.19;;-4.91;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM447182;MM447182;C=CCNCC1CN1CC;GNBPZUVYIFVQRN-UHFFFAOYSA-N;140.23;0.47;;;;;DOPC;MDCG;27;1;"MARTINI bead: SNd_Nd";;;;;;;0.87;;-4.02;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM447183;MM447183;CNCCOCONC=N;FZQBPYRTVYGQPN-UHFFFAOYSA-N;147.18;-0.69;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1_P4";;;;;;;-2.01;;-7.4;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM447184;MM447184;C=CCOCC1CN1CC;CNTAFWKLELGDIA-UHFFFAOYSA-N;141.21;0.89;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNd_Na";;;;;;;0.87;;-1.88;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM447185;MM447185;CNCCOCONC=O;ISTBDEMOQWWSTA-UHFFFAOYSA-N;148.16;-1.14;;;;;DOPC;MDCG;27;1;"MARTINI bead: P2_P2";;;;;;;-1.34;;-6.63;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM447186;MM447186;CCC1CN1CCNC=N;NIHDCDUZBCQCKJ-UHFFFAOYSA-N;141.22;0.28;;;;;DOPC;MDCG;27;1;"MARTINI bead: SNd_P3";;;;;;;-1.1;;-7.89;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM447187;MM447187;COCCOCONC=N;MRLOOCRPFOECAG-UHFFFAOYSA-N;148.16;-0.26;;;;;DOPC;MDCG;27;1;"MARTINI bead: Na_P4";;;;;;;-1.19;;-6.28;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM447188;MM447188;C#CCCCC1CC1CC;FZIKRFFUHNARBW-UHFFFAOYSA-N;136.24;2.84;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC3_C3";;;;;;;4.27;;0.2;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM447189;MM447189;CCOCOCOCC#N;WUEDPRBMNHBFNA-UHFFFAOYSA-N;145.16;0.49;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_P2";;;;;;;-0.24;;-3.24;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM447190;MM447190;C#CCCCC1CC1CN;GOHQZPPOEDIFIF-UHFFFAOYSA-N;137.23;1.38;;;;;DOPC;MDCG;27;1;"MARTINI bead: SNd_C3";;;;;;;2.57;;-1.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM447191;MM447191;C#CCCCCCCCC;ILLHQJIJCRNRCJ-UHFFFAOYSA-N;138.25;3.37;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1_C3";;;;;;;4.61;;0.31;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM447192;MM447192;C#CCNCC1CC1CC;FWTWTGYRWDYZJW-UHFFFAOYSA-N;137.23;1.26;;;;;DOPC;MDCG;27;1;"MARTINI bead: SC3_P2";;;;;;;1.46;;-2.04;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM447193;MM447193;C#CCCCCCCCN;GAITWUBYOUVYMB-UHFFFAOYSA-N;139.24;1.92;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_C3";;;;;;;2.57;;-1.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM447194;MM447194;C#CCNCC1CC1CO;YUOSTJYNMGYXEF-UHFFFAOYSA-N;139.2;-0.16;;;;;DOPC;MDCG;27;1;"MARTINI bead: SNda_P2";;;;;;;-0.24;;-5.02;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM447195;MM447195;C#CCCCCCOCC;ULSUHHQYUKWGLP-UHFFFAOYSA-N;140.23;2.22;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_C3";;;;;;;3.34;;0.48;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM447196;MM447196;C#CCNCC1CC1CF;SFKHEZWLQYQNBA-UHFFFAOYSA-N;141.19;0.81;;;;;DOPC;MDCG;27;1;"MARTINI bead: SC5_P2";;;;;;;0.54;;-3.08;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM447197;MM447197;C#CCNCCCCCN;YHUVBAXMIGGDGG-UHFFFAOYSA-N;140.23;0.34;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1_N0";;;;;;;0.34;;-4.39;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM447198;MM447198;C#CCOCC1CC1CC;ICXXETUMGGBSIG-UHFFFAOYSA-N;138.21;1.68;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC3_Na";;;;;;;2.57;;0.45;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM447199;MM447199;C#CCNCCCCCO;IPWYHVUNSSCIQM-UHFFFAOYSA-N;141.21;0.37;;;;;DOPC;MDCG;27;1;"MARTINI bead: C5_P2";;;;;;;0.54;;-3.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM447200;MM447200;C#CCNCC1CC1OC;HTUYGNPKKDDSAI-UHFFFAOYSA-N;139.2;0.24;;;;;DOPC;MDCG;27;1;"MARTINI bead: SNa_P2";;;;;;;-0.24;;-5.02;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM447201;MM447201;C#CCNCCCCNC;JFGOUFLLTUPSHS-UHFFFAOYSA-N;140.23;0.21;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1_Nd";;;;;;;0.04;;-5.78;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM447202;MM447202;C#CCOCC1CC1OC;OTUNUVQFUMGAHN-UHFFFAOYSA-N;140.18;0.67;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNa_Na";;;;;;;0.87;;-2.22;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM447203;MM447203;C#CCNCCCCOC;ZKWBXBYTWISLQH-UHFFFAOYSA-N;141.21;0.64;;;;;DOPC;MDCG;27;1;"MARTINI bead: Na_Nd";;;;;;;0.87;;-3.86;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM447204;MM447204;C#CCCNC1CC1CC;GKCYLHDRHXLZPP-UHFFFAOYSA-N;137.23;1.4;;;;;DOPC;MDCG;27;1;"MARTINI bead: SC3_Nd";;;;;;;2.57;;-1.21;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM447205;MM447205;C#CCOCCCCCC;MSYFIWASYMWJLU-UHFFFAOYSA-N;140.23;2.22;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1_Na";;;;;;;2.91;;0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM447206;MM447206;C#CCCNC1CC1CO;PUHWPQNPHLDJHJ-UHFFFAOYSA-N;139.2;-0.02;;;;;DOPC;MDCG;27;1;"MARTINI bead: SNda_Nd";;;;;;;0.87;;-3.89;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM447207;MM447207;C#CCOCCCCCN;AJBFNUCMVGLBRQ-UHFFFAOYSA-N;141.21;0.77;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_Na";;;;;;;0.87;;-4.68;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM447208;MM447208;C#CCCNC1CC1OC;YRARSYDOKLBJRF-UHFFFAOYSA-N;139.2;0.39;;;;;DOPC;MDCG;27;1;"MARTINI bead: SNa_Nd";;;;;;;0.87;;-3.45;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM447209;MM447209;N#CC1=NC2(C#N)CC2N1;VMPZNVQXNQIFKQ-UHFFFAOYSA-N;132.13;-0.45;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP1_SP1";;;;;;;-0.79;;-3.13;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM447210;MM447210;C#CCCOC1CC1CC;IXGNKSCXIIRBOU-UHFFFAOYSA-N;138.21;1.82;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNa_C5";;;;;;;1.64;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM447211;MM447211;C#CCOCCCCNC;FKRWOWVQRPAPHZ-UHFFFAOYSA-N;141.21;0.64;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_Na";;;;;;;0.87;;-5.01;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM447212;MM447212;C#CCNCC1NC1CN;MSEPQGLRWWJHBP-UHFFFAOYSA-N;139.2;-1.49;;;;;DOPC;MDCG;27;1;"MARTINI bead: SP2_P2";;;;;;;-1.34;;-6.29;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM447213;MM447213;C#CCOCCCCOC;WUNYPUORNKIIQV-UHFFFAOYSA-N;142.2;1.06;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_Na";;;;;;;0.87;;-2.22;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM447214;MM447214;C#CCOCC1NC1CN;KTWDEXCTWCFYAG-UHFFFAOYSA-N;140.19;-1.06;;;;;DOPC;MDCG;27;1;"MARTINI bead: SP2_Na";;;;;;;-0.24;;-5.18;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM447215;MM447215;C#CCOCCCNCC;QUGRBMLQEBTXIJ-UHFFFAOYSA-N;141.21;0.64;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_Na";;;;;;;0.87;;-4.86;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM447216;MM447216;C#CCOCC1NC1CF;NWBSMPKMCIWTSK-UHFFFAOYSA-N;143.16;-0.05;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP1_Na";;;;;;;0.04;;-2.54;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM447217;MM447217;C#CCOCCCOCC;SECHYPPNNCHJDC-UHFFFAOYSA-N;142.2;1.06;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_Na";;;;;;;1.64;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM447218;MM447218;C#CCOCC1OC1CC;ROOMEIZFMAOUCQ-UHFFFAOYSA-N;140.18;0.81;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNa_Na";;;;;;;0.87;;-2.22;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM447219;MM447219;C#CCCCCNCCC;ONDYNWATKQQMCV-UHFFFAOYSA-N;139.24;1.79;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_C3";;;;;;;2.57;;-2.04;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM447220;MM447220;C#CCOCC1CN1CC;NMWCGNVFHLJLMW-UHFFFAOYSA-N;139.2;0.34;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNd_Na";;;;;;;0.87;;-1.88;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM447221;MM447221;C#CCCCCNCCF;WPAABFRRHGMGLY-UHFFFAOYSA-N;143.21;1.35;;;;;DOPC;MDCG;27;1;"MARTINI bead: P2_C1";;;;;;;1.8;;-0.56;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM447222;MM447222;CCCCCC1CC1C#N;AQEXVOLENBXWRI-UHFFFAOYSA-N;137.23;2.73;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1_SN0";;;;;;;3.21;;0.46;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM447223;MM447223;C#CCNCCNCCO;YRPQFWQIWYFLGP-UHFFFAOYSA-N;142.2;-1.21;;;;;DOPC;MDCG;27;1;"MARTINI bead: P2_P2";;;;;;;-1.34;;-6;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM447224;MM447224;CNN(C)C(=O)C=CN;KWHICHWDNKVMLX-UHFFFAOYSA-N;129.16;-0.95;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_P2";;;;;;;-1.34;;-4.31;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM447225;MM447225;C#CCOCCNCCC;QZHMIUSNYBYSIT-UHFFFAOYSA-N;141.21;0.64;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_Na";;;;;;;0.87;;-4.38;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM447226;MM447226;CCCNCC1CC1C=O;ANJNBBZXSKNCQE-UHFFFAOYSA-N;141.21;0.82;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_SNa";;;;;;;0.87;;-4.98;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM447227;MM447227;C#CCOCCNCCN;MOIGZFZNIMVVRD-UHFFFAOYSA-N;142.2;-0.82;;;;;DOPC;MDCG;27;1;"MARTINI bead: P3_Na";;;;;;;-1.1;;-6.41;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM447228;MM447228;CCCNCC1CC1C#N;LHAFCXXLDHTCDI-UHFFFAOYSA-N;138.21;1.15;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_SN0";;;;;;;1.17;;-3.44;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM447229;MM447229;C#CCCCCOCCC;BNKLGPFSFMKZHE-UHFFFAOYSA-N;140.23;2.22;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_C1";;;;;;;2.91;;0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM447230;MM447230;C=CC1NC1CCCNC;HGCSCYYYOFTWRK-UHFFFAOYSA-N;140.23;0.51;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_SP1";;;;;;;0.04;;-5.75;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM447231;MM447231;C#CCCCCOCCN;WUKHRDMYZOWFPE-UHFFFAOYSA-N;141.21;0.77;;;;;DOPC;MDCG;27;1;"MARTINI bead: P2_C3";;;;;;;1.46;;-2.07;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM447232;MM447232;CCCNCC1OC1C=O;XYDFHDNIOPKZKV-UHFFFAOYSA-N;143.19;-0.05;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_SP2";;;;;;;-0.24;;-5.32;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM447233;MM447233;C#CCCCCOCCO;XLSIAKCHHLCJRF-UHFFFAOYSA-N;142.2;0.8;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_C3";;;;;;;1.46;;-0.15;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM447234;MM447234;N=CN1CC1CCCCO;CHNQUQNVMAKYSV-UHFFFAOYSA-N;142.2;0.44;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nda_SP2";;;;;;;-0.24;;-6.55;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM447235;MM447235;C#CCNCCOCCO;POSCDSKFMFICRE-UHFFFAOYSA-N;143.19;-0.78;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1_P2";;;;;;;-1.06;;-4.96;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM447236;MM447236;CCOCCC1CN1C=O;NUDRMOZBTWIBQS-UHFFFAOYSA-N;143.19;0.25;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_SP2";;;;;;;0.54;;-1.09;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM447237;MM447237;C#CCOCCOCCC;BOIHMJRXVKABCS-UHFFFAOYSA-N;142.2;1.06;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_Na";;;;;;;0.87;;-2.22;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM447238;MM447238;CCCNCC1CN1C=N;DISAPTCSIASOFN-UHFFFAOYSA-N;141.22;0.28;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_SP2";;;;;;;-0.24;;-6.12;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM447239;MM447239;C#CCOCCOCCN;GVHLQHHQXWSDDM-UHFFFAOYSA-N;143.19;-0.39;;;;;DOPC;MDCG;27;1;"MARTINI bead: P2_Na";;;;;;;-0.24;;-5.28;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM447240;MM447240;CCCNCC1CN1C=O;LZCVWZMYHHXEMB-UHFFFAOYSA-N;142.2;-0.17;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_SP2";;;;;;;-0.24;;-5.51;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM447241;MM447241;C#CCOCCOCCO;HUSDTFBXUYBZJD-UHFFFAOYSA-N;144.17;-0.35;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_Na";;;;;;;-0.24;;-3.24;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM447242;MM447242;O=CN1CC1CNCCO;XKIQKUJRWIIIFU-UHFFFAOYSA-N;144.17;-1.59;;;;;DOPC;MDCG;27;1;"MARTINI bead: P2_SP2";;;;;;;-1.34;;-5.92;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM447243;MM447243;C#CCCNCCCCC;CPOGBPQFQNVWKO-UHFFFAOYSA-N;139.24;1.79;;;;;DOPC;MDCG;27;1;"MARTINI bead: C1_Nd";;;;;;;2.91;;-0.58;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM447244;MM447244;N=CN(N)C(=O)C=CN;WCTCYMJYQFSBBA-UHFFFAOYSA-N;128.14;-1.23;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_P4";;;;;;;-2.01;;-5.13;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM447245;MM447245;C#CCCNCCCCF;YFCDREAVFVSDQG-UHFFFAOYSA-N;143.21;1.35;;;;;DOPC;MDCG;27;1;"MARTINI bead: C5_Nd";;;;;;;1.64;;-2.72;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM447246;MM447246;C=NN1CC1CNCCC;BCUHSXJGVZGNPV-UHFFFAOYSA-N;141.22;0.29;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_SP2";;;;;;;-0.24;;-5.03;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM447247;MM447247;C#CCCNCCOCC;WKGLDSWWYXVWTH-UHFFFAOYSA-N;141.21;0.64;;;;;DOPC;MDCG;27;1;"MARTINI bead: Na_Nd";;;;;;;0.87;;-3.87;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM447248;MM447248;C=CC1CN1CCCCN;BKFJUFDIPFOVTC-UHFFFAOYSA-N;140.23;0.6;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_SP1";;;;;;;0.04;;-5.42;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM447249;MM447249;C#CCCOCCCCC;LWFZSABIOIDXPE-UHFFFAOYSA-N;140.23;2.22;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1_Na";;;;;;;2.91;;0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM447250;MM447250;C=CC1CN1CCOCC;DEIRTWBKVWWNBY-UHFFFAOYSA-N;141.21;0.89;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_SP1";;;;;;;0.81;;-0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM447251;MM447251;C#CCCOCCCOC;NXMURBRJLWHKPP-UHFFFAOYSA-N;142.2;1.06;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_Na";;;;;;;0.87;;-2.22;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM447252;MM447252;C=CC1CC1CCCC#N;YPRWVGPLNWFFPT-UHFFFAOYSA-N;135.21;2.5;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC4_P1";;;;;;;1.37;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM447253;MM447253;C#CCCOCCNCC;JDPMRXLHAHAMJR-UHFFFAOYSA-N;141.21;0.64;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_Na";;;;;;;0.87;;-4.25;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM447254;MM447254;C=CCCCC1CC1C=O;ROTIVXGLJVYAIK-UHFFFAOYSA-N;138.21;2.18;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1_SNa";;;;;;;2.91;;0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM447255;MM447255;C#CCCOCCOCC;URUZLBIMGBFICH-UHFFFAOYSA-N;142.2;1.06;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_Na";;;;;;;0.87;;-2.22;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM447256;MM447256;N#CCCCC1CC1C=O;BZHDATKPMPAJJJ-UHFFFAOYSA-N;137.18;1.52;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNa_N0";;;;;;;1.17;;-1.18;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM447257;MM447257;C#CCCOCOCCN;VADXHUIJIKSCOD-UHFFFAOYSA-N;143.19;-0.04;;;;;DOPC;MDCG;27;1;"MARTINI bead: P2_Na";;;;;;;-0.24;;-5.27;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM447258;MM447258;N#CCCCC1CC1C#N;DZEHFMDRDOARDD-UHFFFAOYSA-N;134.18;1.84;;;;;DOPC;MDCG;27;0;"MARTINI bead: N0_SN0";;;;;;;1.47;;-0.05;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM447259;MM447259;C#CCCOCOCCF;KWFHQYJWOIJURL-UHFFFAOYSA-N;146.16;0.97;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_C5";;;;;;;0.54;;-1.09;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM447260;MM447260;C=CC1CC1CCON=C;HUVHQUAANQWNBV-UHFFFAOYSA-N;139.2;1.83;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC4_P1";;;;;;;1.37;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM447261;MM447261;C#CCCCNCCCC;KRNOJERGCFOUSI-UHFFFAOYSA-N;139.24;1.79;;;;;DOPC;MDCG;27;1;"MARTINI bead: C1_Nd";;;;;;;2.91;;-1.04;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM447262;MM447262;C=CC1CC1CNCC#N;XAIXFQWPAWDRSK-UHFFFAOYSA-N;136.2;0.92;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC4_P2";;;;;;;1.09;;-0.37;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM447263;MM447263;C#CCCCNCCCF;WEGNEMKJICHFKC-UHFFFAOYSA-N;143.21;1.35;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nda_C5";;;;;;;1.64;;-2.82;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM447264;MM447264;C=CCNCC1CC1C#N;CFDBWJLBHJTNQP-UHFFFAOYSA-N;136.2;0.92;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_SN0";;;;;;;1.17;;-2.62;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM447265;MM447265;C#CCCCOCCCC;JITCRXIUXIYHTE-UHFFFAOYSA-N;140.23;2.22;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_C3";;;;;;;2.57;;0.45;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM447266;MM447266;N#CC12CC1OC(=N)N2;MNUUFPPMXKCSOS-UHFFFAOYSA-N;123.12;-0.42;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP2_SP2";;;;;;;-1.34;;-4.31;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM447267;MM447267;C#CCCCOCCCN;SCDYXZXCZYCHDA-UHFFFAOYSA-N;141.21;0.77;;;;;DOPC;MDCG;27;1;"MARTINI bead: P2_C5";;;;;;;0.54;;-3.8;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM447268;MM447268;N#CCNCC1CC1C#N;ZRPKDTJDYBFFDL-UHFFFAOYSA-N;135.17;0.26;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_SN0";;;;;;;0.06;;-2.21;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM447269;MM447269;C#CCCCOCCOC;OGBSKVNRVSSMSP-UHFFFAOYSA-N;142.2;1.06;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_Na";;;;;;;0.87;;-2.22;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM447270;MM447270;N#CC1CC1CNNC=N;UNNNKYTVBGGTPN-UHFFFAOYSA-N;138.17;-0.15;;;;;DOPC;MDCG;27;1;"MARTINI bead: P4_SN0";;;;;;;-0.88;;-6.55;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM447271;MM447271;C#CCCCOCOCC;IFZZOQKOFYNCCZ-UHFFFAOYSA-N;142.2;1.41;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_C3";;;;;;;1.74;;0.29;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM447272;MM447272;C=CC1CN(N=C)C1=O;NDOREEQWQZEUSX-UHFFFAOYSA-N;124.14;0.25;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP1_SP2";;;;;;;-1.06;;-3.82;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM447273;MM447273;C#CCOCOCCCN;ZJPCKZBNQPGMHI-UHFFFAOYSA-N;143.19;-0.04;;;;;DOPC;MDCG;27;1;"MARTINI bead: P2_Na";;;;;;;-0.24;;-5.95;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM447274;MM447274;C#CCOCOCCCF;UVPVWUHPJQJRDP-UHFFFAOYSA-N;146.16;0.97;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_N0";;;;;;;0.34;;-1.53;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM447275;MM447275;C=CCOCC1CC1C=C;LNTMTVHNXQPXJC-UHFFFAOYSA-N;138.21;2.01;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_SC4";;;;;;;2.2;;0.34;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM447276;MM447276;C=CCCCCCCC#N;AFXXJCGHWSTDDE-UHFFFAOYSA-N;137.23;3.04;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1_N0";;;;;;;3.21;;0.46;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM447277;MM447277;C=CC1CC1COCC=O;XUTIBVATJPEOEO-UHFFFAOYSA-N;140.18;1.02;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC4_P1";;;;;;;1.37;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM447278;MM447278;C=CC1CC1COCC#N;QPHYIBYCKNHYMG-UHFFFAOYSA-N;137.18;1.35;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC4_P1";;;;;;;1.37;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM447279;MM447279;C=CCCCCCNC=N;FJFQJJRXBUQEIW-UHFFFAOYSA-N;140.23;1.93;;;;;DOPC;MDCG;27;1;"MARTINI bead: C1_P2";;;;;;;1.8;;-3.29;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM447280;MM447280;CNC1(C#N)C=NNC1;ZJQDRHSQMCBCQN-UHFFFAOYSA-N;124.15;-0.94;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP1_SP1";;;;;;;-0.79;;-3.13;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM447281;MM447281;N=CNCCCCCC=O;CWXRCELMUIQEDC-UHFFFAOYSA-N;142.2;0.94;;;;;DOPC;MDCG;27;1;"MARTINI bead: P2_C5";;;;;;;0.54;;-5.5;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM447282;MM447282;N#CCCCC1NC1C#N;XXIRLXGDQWARTO-UHFFFAOYSA-N;135.17;0.54;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_SP2";;;;;;;-1.06;;-3.82;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM447283;MM447283;C=CCCCCCNN=C;PJURHXYHTKGMEY-UHFFFAOYSA-N;140.23;1.94;;;;;DOPC;MDCG;27;0;"MARTINI bead: C3_Nd";;;;;;;2.57;;0.53;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM447284;MM447284;C=NOCCC1NC1C#N;WERMECTVMDRHDG-UHFFFAOYSA-N;139.16;-0.13;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_SP2";;;;;;;-1.06;;-3.82;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM447285;MM447285;C=NNCCCCNC=N;KGJDIUBSDZTSQV-UHFFFAOYSA-N;142.21;0.17;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_P2";;;;;;;-0.24;;-7.56;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM447286;MM447286;N#CCOCC1NC1C#N;ARNQFHXJHSJLJY-UHFFFAOYSA-N;137.14;-0.61;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_SP2";;;;;;;-1.06;;-3.82;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM447287;MM447287;C=CC=CNC=NN=CC;NYIPOCWNDJGWNX-UHFFFAOYSA-N;137.19;1.31;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_Nd";;;;;;;1.64;;0.02;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM447288;MM447288;C=CCCCC1CN1C=N;WPLFLAOJSDPDPN-UHFFFAOYSA-N;138.21;1.63;;;;;DOPC;MDCG;27;1;"MARTINI bead: C1_SP2";;;;;;;1.8;;-2.14;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM447289;MM447289;N=CNCCCCOC=O;PRLWWPKYNHTYPH-UHFFFAOYSA-N;144.17;0.14;;;;;DOPC;MDCG;27;1;"MARTINI bead: P2_Na";;;;;;;-0.24;;-7.6;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM447290;MM447290;N=CN1CC1CCCC=O;NWOTVJMWMIVOKZ-UHFFFAOYSA-N;140.19;0.65;;;;;DOPC;MDCG;27;1;"MARTINI bead: SP2_C5";;;;;;;0.54;;-4.34;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM447291;MM447291;C=NNCCCCON=C;LXHMOMUVTCTCHU-UHFFFAOYSA-N;143.19;0.6;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nd_Na";;;;;;;0.87;;-1.88;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM447292;MM447292;C=CCCCCNCC=C;HFOCFIYZTIAKAD-UHFFFAOYSA-N;139.24;2.12;;;;;DOPC;MDCG;27;1;"MARTINI bead: C1_Nd";;;;;;;2.91;;-0.31;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM447293;MM447293;C=CCCCC1CN1C=O;FAQGFLHMURKAEA-UHFFFAOYSA-N;139.2;1.18;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1_SP2";;;;;;;1.8;;0.4;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM447294;MM447294;C=CCNCC1CN1C=O;MCQRBDGNERAVJU-UHFFFAOYSA-N;140.19;-0.4;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_SP2";;;;;;;-0.24;;-4.69;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM447295;MM447295;C=CCCCCNCC#N;QNHQIEXNKQBENP-UHFFFAOYSA-N;138.21;1.46;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1_P2";;;;;;;1.8;;0.42;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM447296;MM447296;C=CCNCCCCC=O;VMLQZJVVEKWBJI-UHFFFAOYSA-N;141.21;1.13;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_Na";;;;;;;0.87;;-4.31;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM447297;MM447297;C=CCOCC1CN1C=N;IAUMWUSQRNKQEH-UHFFFAOYSA-N;140.19;0.48;;;;;DOPC;MDCG;27;1;"MARTINI bead: Na_SP2";;;;;;;-0.24;;-5.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM447298;MM447298;C=CCNCCCCC#N;SDEMZPORVQXYHE-UHFFFAOYSA-N;138.21;1.46;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_N0";;;;;;;1.17;;-3.56;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM447299;MM447299;N=CN1CC1COCC=O;HRNLUNHTWFTRFE-UHFFFAOYSA-N;142.16;-0.51;;;;;DOPC;MDCG;27;1;"MARTINI bead: SP2_P1";;;;;;;-1.06;;-6.48;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM447300;MM447300;N=CNNCCCCC=O;ROPKFVKZIDZVLR-UHFFFAOYSA-N;143.19;0.06;;;;;DOPC;MDCG;27;1;"MARTINI bead: P4_C5";;;;;;;-0.41;;-5.6;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM447301;MM447301;C=CCOCC1CN1C=O;FAEXRDTWQNKDDK-UHFFFAOYSA-N;141.17;0.03;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_SP2";;;;;;;-0.24;;-3.24;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM447302;MM447302;N#CCCCCNNC=N;IXFUTLHDMQVAJP-UHFFFAOYSA-N;140.19;0.38;;;;;DOPC;MDCG;27;1;"MARTINI bead: P4_C5";;;;;;;-0.41;;-5.6;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM447303;MM447303;C=CCCCC1CN1N=C;FLGQBDRQMYMYDM-UHFFFAOYSA-N;138.21;1.64;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1_SP2";;;;;;;1.8;;0.4;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM447304;MM447304;O=CC1=NCC(CF)N1;DFNLDDGLTKZWRW-UHFFFAOYSA-N;130.12;-0.47;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP2_SP2";;;;;;;-1.34;;-4.31;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM447305;MM447305;C=CNC=NN=CC;WADOAKXCYWSJNJ-UHFFFAOYSA-N;111.15;0.75;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_P1";;;;;;;0.81;;-0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM447306;MM447306;C=NN1CC1CNCC#N;FXZPGLYQCMVLOV-UHFFFAOYSA-N;138.17;-0.6;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP2_P2";;;;;;;-1.34;;-4.31;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM447307;MM447307;C=COCCCNCC#N;USVAFGXXEKFETF-UHFFFAOYSA-N;140.19;0.65;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_P2";;;;;;;0.54;;-1.09;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM447308;MM447308;C=CCOCC1CN1N=C;JLUOPBGPKWFDII-UHFFFAOYSA-N;140.19;0.49;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_SP2";;;;;;;-0.24;;-3.24;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM447309;MM447309;C=C(F)C=NNCC#N;RJAGPOLGRLMWAC-UHFFFAOYSA-N;127.12;0.57;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_P1";;;;;;;0.81;;-0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM447310;MM447310;C#CCNN=CCC#N;BQLWAGZXBKYGQH-UHFFFAOYSA-N;121.14;0.11;;;;;DOPC;MDCG;27;0;"MARTINI bead: N0_P1";;;;;;;0.34;;-1.53;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM447311;MM447311;C=CCCCCOCC=C;KHEJFNJPATYFRI-UHFFFAOYSA-N;140.23;2.55;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1_Na";;;;;;;2.91;;0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM447312;MM447312;C=CCCCN1CC1C=C;XEWIHJMDMWKOEU-UHFFFAOYSA-N;137.23;1.82;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1_SP1";;;;;;;2.08;;0.53;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM447313;MM447313;C=CCCCCOCC=O;FOJXQDSHYYHFFV-UHFFFAOYSA-N;142.2;1.56;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1_P1";;;;;;;2.08;;0.48;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM447314;MM447314;C#CCCCC1CC1C=C;KVMRJDVTPVNUKY-UHFFFAOYSA-N;134.22;2.61;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC4_C5";;;;;;;2.97;;0.45;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM447315;MM447315;C=CCCCCOCC#N;IPLMTWSDFRUKEI-UHFFFAOYSA-N;139.2;1.88;;;;;DOPC;MDCG;27;0;"MARTINI bead: C3_Na";;;;;;;2.57;;0.45;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM447316;MM447316;C#CCCCC1CC1C=O;NYIKXLNFIBFYOX-UHFFFAOYSA-N;136.19;1.62;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNa_C3";;;;;;;2.57;;0.45;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM447317;MM447317;C=CCOCCCCC=O;SGAYYHCWXXFMIM-UHFFFAOYSA-N;142.2;1.56;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_Na";;;;;;;1.64;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM447318;MM447318;C#CCNCC1CC1C=C;MDPTWKLIHGOUJA-UHFFFAOYSA-N;135.21;1.03;;;;;DOPC;MDCG;27;1;"MARTINI bead: SC4_P2";;;;;;;1.09;;-2.38;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM447319;MM447319;N#CCOCCCCC=O;JESROAZOKJRHDM-UHFFFAOYSA-N;141.17;0.9;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_P1";;;;;;;0.81;;-0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM447320;MM447320;C#CCNCC1CC1C=O;QBYWIJHAHQIQDM-UHFFFAOYSA-N;137.18;0.04;;;;;DOPC;MDCG;27;1;"MARTINI bead: SNa_P2";;;;;;;-0.24;;-4.97;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM447321;MM447321;N#CCCCCOCC#N;OLZVLKHGXOAENV-UHFFFAOYSA-N;138.17;1.22;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_P3";;;;;;;-0.33;;-2.01;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM447322;MM447322;C#CCOCC1CC1C=C;CCRFJDCVKRUALW-UHFFFAOYSA-N;136.19;1.46;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC4_Na";;;;;;;2.2;;0.34;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM447323;MM447323;C=CCCCCONC=N;PHIKQQIWIKGKMH-UHFFFAOYSA-N;142.2;1.47;;;;;DOPC;MDCG;27;1;"MARTINI bead: C1_P3";;;;;;;0.94;;-1.59;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM447324;MM447324;C#CCOCC1CC1C#N;QVJRBYNVKFWBTE-UHFFFAOYSA-N;135.17;0.8;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_SN0";;;;;;;1.17;;-1.18;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM447325;MM447325;N=CNOCCCCC=O;INESQFNXWWJCRQ-UHFFFAOYSA-N;144.17;0.48;;;;;DOPC;MDCG;27;1;"MARTINI bead: P3_C5";;;;;;;-0.33;;-3.8;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM447326;MM447326;C#CCCNC1CC1C=C;RYTNBZTWZYHYKP-UHFFFAOYSA-N;135.21;1.17;;;;;DOPC;MDCG;27;1;"MARTINI bead: SC4_Nd";;;;;;;2.2;;-1.82;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM447327;MM447327;N#CCCCCONC=N;YAXCJSUQRLZAHQ-UHFFFAOYSA-N;141.17;0.81;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nda_P1";;;;;;;0.04;;-4.53;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM447328;MM447328;C#CCCNC1CC1C=O;LSXPDBZAQREWDS-UHFFFAOYSA-N;137.18;0.19;;;;;DOPC;MDCG;27;1;"MARTINI bead: SNa_Nd";;;;;;;0.87;;-3.64;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM447329;MM447329;C=CCOCCCNC=N;XLKWCUMSIWTQHA-UHFFFAOYSA-N;142.2;0.78;;;;;DOPC;MDCG;27;1;"MARTINI bead: C4_P3";;;;;;;0.23;;-5.19;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM447330;MM447330;C#CCCOC1CC1C=C;KYQGCQOGZRWXJC-UHFFFAOYSA-N;136.19;1.6;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC4_Na";;;;;;;2.2;;0.34;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM447331;MM447331;N=CNCCCOCC=O;IEOUUFHJBVTGOF-UHFFFAOYSA-N;144.17;-0.21;;;;;DOPC;MDCG;27;1;"MARTINI bead: P3_Na";;;;;;;-1.1;;-8.16;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM447332;MM447332;C=NNC(C#CC)CF;ILSXOIHDWSLJPX-UHFFFAOYSA-N;128.15;0.55;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4_P1";;;;;;;1.37;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM447333;MM447333;C#CCCCC1NC1C#N;CNHBFANZSVSZSD-UHFFFAOYSA-N;134.18;0.65;;;;;DOPC;MDCG;27;0;"MARTINI bead: C3_SP2";;;;;;;1.46;;-0.15;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM447334;MM447334;C=C1CN(C=O)CC1=O;FKYIQZIKGNJMKX-UHFFFAOYSA-N;125.13;-0.42;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP1_SP2";;;;;;;-1.06;;-3.82;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM447335;MM447335;C=CC(F)(F)C=NNCC;NRHWSZYKVUARIC-UHFFFAOYSA-N;148.16;1.4;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_C5";;;;;;;0.81;;-0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM447336;MM447336;C#CCOCC1NC1C#N;XTSPOWAZTVVJSJ-UHFFFAOYSA-N;136.15;-0.5;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_SP2";;;;;;;-0.24;;-3.24;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM447337;MM447337;C=COCCCOCC#N;BOLGCMJOYHRINL-UHFFFAOYSA-N;141.17;1.08;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_Na";;;;;;;0.87;;-2.22;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM447338;MM447338;C#CCOCC1OC1C=O;XACHHNWZLPMNGE-UHFFFAOYSA-N;140.14;-0.4;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP2_Na";;;;;;;-0.24;;-3.24;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM447339;MM447339;C=CCOCCCON=C;XGBXCOPVJUKQBG-UHFFFAOYSA-N;143.19;1.21;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_P1";;;;;;;0.81;;-0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM447340;MM447340;C=CCNCCNCC#N;RQHGEBKPBAREMR-UHFFFAOYSA-N;139.2;-0.12;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_P2";;;;;;;-0.24;;-4.69;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM447341;MM447341;C#CCCCC1CN1C=N;YMHHMXGDVZWOCL-UHFFFAOYSA-N;136.2;1.08;;;;;DOPC;MDCG;27;1;"MARTINI bead: SP2_C3";;;;;;;1.46;;-3.27;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM447342;MM447342;N=CNNCCNCC=O;FZRXXHPEPQLIHI-UHFFFAOYSA-N;144.18;-1.52;;;;;DOPC;MDCG;27;1;"MARTINI bead: P4_P2";;;;;;;-2.29;;-8.73;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM447343;MM447343;C#CCCCC1CN1C=O;DSWHCJJTTGLKLH-UHFFFAOYSA-N;137.18;0.63;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP2_C3";;;;;;;1.46;;-0.15;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM447344;MM447344;C=CCNCCOCC=O;JFIFPJSGMSZQPS-UHFFFAOYSA-N;143.19;-0.02;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_P2";;;;;;;-0.24;;-4.73;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM447345;MM447345;C#CCNCC1CN1C=N;ITJXXXNFZCETED-UHFFFAOYSA-N;137.19;-0.5;;;;;DOPC;MDCG;27;1;"MARTINI bead: SP2_P2";;;;;;;-1.34;;-7.25;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM447346;MM447346;C=CCOCCNNC=N;QTILMUHTQVUDHW-UHFFFAOYSA-N;143.19;-0.11;;;;;DOPC;MDCG;27;1;"MARTINI bead: Na_P4";;;;;;;-1.19;;-7.56;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM447347;MM447347;C#CCOCC1CN1C=N;MGPJGQMLDCYENY-UHFFFAOYSA-N;138.17;-0.07;;;;;DOPC;MDCG;27;1;"MARTINI bead: SP2_Na";;;;;;;-0.24;;-5.89;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM447348;MM447348;N#CCOCCNNC=N;NEVJBHLILFWMBQ-UHFFFAOYSA-N;142.16;-0.77;;;;;DOPC;MDCG;27;1;"MARTINI bead: P4_Na";;;;;;;-1.19;;-7.56;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM447349;MM447349;C#CCCCC1CN1N=C;VOMBBJYSGPFELC-UHFFFAOYSA-N;136.2;1.09;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP2_C3";;;;;;;1.46;;-0.15;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM447350;MM447350;C=CCC=NNC=NC;HLKZYIQFBXXYLL-UHFFFAOYSA-N;125.18;0.8;;;;;DOPC;MDCG;27;0;"MARTINI bead: N0_Nd";;;;;;;1.17;;-1.04;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM447351;MM447351;C#CCOCC1CN1N=C;KQPSLDXLKUEMCT-UHFFFAOYSA-N;138.17;-0.06;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP2_Na";;;;;;;-0.24;;-3.24;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM447352;MM447352;C=CCOCCOCC=C;CARNFEUGBMWTON-UHFFFAOYSA-N;142.2;1.39;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_Na";;;;;;;0.87;;-2.22;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM447353;MM447353;C#CCCCN1CC1C=C;QPSABQUIZARSCR-UHFFFAOYSA-N;135.21;1.27;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP1_C3";;;;;;;1.74;;0.32;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM447354;MM447354;C=CCOCCOCC#N;BWAMASICGWOFGA-UHFFFAOYSA-N;141.17;0.73;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_Na";;;;;;;0.87;;-2.22;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM447355;MM447355;CC1(C)CN1NC(=N)C#N;JNXJQIMRIXBLDH-UHFFFAOYSA-N;138.17;0.09;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP1_P2";;;;;;;-1.06;;-3.82;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM447356;MM447356;N#CCOCCOCC#N;UGHVSNXWZLGJCE-UHFFFAOYSA-N;140.14;0.07;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_P1";;;;;;;-0.79;;-3.13;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM447357;MM447357;C#CC1CC1CCOCC;LWKQASRCCHXKRM-UHFFFAOYSA-N;138.21;1.68;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_SC5";;;;;;;2.41;;0.64;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM447358;MM447358;C=CCOCCONC=O;SGCBVISAEXVORT-UHFFFAOYSA-N;145.16;-0.13;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_P2";;;;;;;-0.24;;-3.24;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM447359;MM447359;C#CC1CC1CNCCN;UQPMLSKGCRLTMG-UHFFFAOYSA-N;138.21;-0.2;;;;;DOPC;MDCG;27;1;"MARTINI bead: P3_SC5";;;;;;;-0.33;;-4.77;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM447360;MM447360;N#CCOCCONC=N;QGNJLNRKFNYFKO-UHFFFAOYSA-N;143.15;-0.35;;;;;DOPC;MDCG;27;1;"MARTINI bead: P4_Na";;;;;;;-1.19;;-6.49;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM447361;MM447361;C#CC1CC1NCCCC;SSTKHIVIDPGNPD-UHFFFAOYSA-N;137.23;1.4;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_SC5";;;;;;;1.64;;-2.34;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM447362;MM447362;N#CCOCCONC=O;BOXOCROQCAPASU-UHFFFAOYSA-N;144.13;-0.8;;;;;DOPC;MDCG;27;0;"MARTINI bead: P4_Na";;;;;;;-1.19;;-4.76;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM447363;MM447363;C#CC1NC1CCCCC;NKKSAWLOIPCNPW-UHFFFAOYSA-N;137.23;1.54;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1_SP3";;;;;;;0.94;;0.04;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM447364;MM447364;C=CCCCNCCC=C;WVOTZYCRTQZCEU-UHFFFAOYSA-N;139.24;2.12;;;;;DOPC;MDCG;27;1;"MARTINI bead: C1_Nd";;;;;;;2.91;;-1.01;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM447365;MM447365;C#CC1OC1CCCCN;KICJAQQRFHOHGO-UHFFFAOYSA-N;139.2;0.52;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_SNa";;;;;;;0.87;;-4.68;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM447366;MM447366;C=CCCCNCCC=O;GKPOHHSLNLKITK-UHFFFAOYSA-N;141.21;1.13;;;;;DOPC;MDCG;27;1;"MARTINI bead: C1_P3";;;;;;;0.94;;-2.4;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM447367;MM447367;C#CC1OC1COCCN;AMXDOBAMUCNVER-UHFFFAOYSA-N;141.17;-0.64;;;;;DOPC;MDCG;27;1;"MARTINI bead: P2_SNa";;;;;;;-0.24;;-5.28;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM447368;MM447368;C=CCCNCCCC=O;KGCUOTPOWNYBPU-UHFFFAOYSA-N;141.21;1.13;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_Na";;;;;;;0.87;;-4.86;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM447369;MM447369;C#CC1CC1CCCC=C;VUOWHZDSEVOKPA-UHFFFAOYSA-N;134.22;2.61;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1_SC5";;;;;;;3.68;;0.46;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM447370;MM447370;C=CCCNCCNC=O;ZHLRLNVFFLJYLA-UHFFFAOYSA-N;142.2;-0.1;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_P3";;;;;;;-1.1;;-6.21;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM447371;MM447371;C#CC1CC1CCCC#N;ZETZSDCOTUWHIF-UHFFFAOYSA-N;133.19;1.95;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC5_N0";;;;;;;1.94;;0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM447372;MM447372;C=CCCNCCON=C;LCIXTKGHEBOXQH-UHFFFAOYSA-N;142.2;0.78;;;;;DOPC;MDCG;27;1;"MARTINI bead: C5_P1";;;;;;;0.81;;-2.03;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM447373;MM447373;C#CC1CC1CNCC=C;WEMSCQCCYZIUSU-UHFFFAOYSA-N;135.21;1.03;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_SC5";;;;;;;1.64;;-2.42;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM447374;MM447374;C=NOCOCCNC=N;ZZXVIRPTLPZVMJ-UHFFFAOYSA-N;145.16;-0.21;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1_P2";;;;;;;-1.06;;-7.73;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM447375;MM447375;C#CC1CC1COCC#N;SGYNEDSMLGNNQD-UHFFFAOYSA-N;135.17;0.8;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC5_P1";;;;;;;0.81;;-0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM447376;MM447376;C#CC1CC1NCCC=C;YJUHZBYXNWYVDE-UHFFFAOYSA-N;135.21;1.17;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_SC5";;;;;;;1.64;;-2.26;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM447377;MM447377;C=CNC=NN=CCC;OPKMUPXOXHYZRQ-UHFFFAOYSA-N;125.18;1.14;;;;;DOPC;MDCG;27;0;"MARTINI bead: N0_Nd";;;;;;;1.17;;-1.04;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM447378;MM447378;C#CC1NC1COCC=C;OFEMCOWUAJYLAT-UHFFFAOYSA-N;137.18;0.16;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_SP3";;;;;;;-1.1;;-4.2;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM447379;MM447379;C=COCCOCCC#N;DELNKNMEKGHQRM-UHFFFAOYSA-N;141.17;1.08;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_Na";;;;;;;0.87;;-2.22;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM447380;MM447380;C#CC1NC1COCC#N;BKMVOFHVAJXBPN-UHFFFAOYSA-N;136.15;-0.5;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP3_P1";;;;;;;-1.93;;-4.72;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM447381;MM447381;C=COCCOCOC=C;HDSRECXTIAVNFN-UHFFFAOYSA-N;144.17;1.28;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_Na";;;;;;;0.87;;-2.22;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM447382;MM447382;C#CC1OC1CCNN=C;TZPZIQUULUEFPF-UHFFFAOYSA-N;138.17;-0.02;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_SNa";;;;;;;-0.24;;-3.24;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM447383;MM447383;C=NOCCOCOC=O;AEEQOKMPOPAOAW-UHFFFAOYSA-N;147.13;-0.23;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_P2";;;;;;;-0.24;;-3.24;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM447384;MM447384;C#CC1OC1CCOC=C;XOMPYEQBVLSITJ-UHFFFAOYSA-N;138.17;0.94;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_SNa";;;;;;;0.87;;-2.22;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM447385;MM447385;C=CCCOCOCC=C;MVAOICSPIQAMEH-UHFFFAOYSA-N;142.2;1.74;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_Na";;;;;;;0.87;;-2.22;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM447386;MM447386;C#CC1OC1CNCC=C;PJFSLCQFOAGVOT-UHFFFAOYSA-N;137.18;0.16;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_SNa";;;;;;;0.87;;-3.43;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM447387;MM447387;C=CCCOCOCC=O;SAUDBWYBTMNKSW-UHFFFAOYSA-N;144.17;0.75;;;;;DOPC;MDCG;27;0;"MARTINI bead: C3_P3";;;;;;;0.6;;-0.8;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM447388;MM447388;C#CC1OC1COCC=C;HVZSJTJQAUICDQ-UHFFFAOYSA-N;138.17;0.59;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_SNa";;;;;;;0.87;;-2.22;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM447389;MM447389;N#CCCOCOCC#N;ANZHOHNDUVHTBC-UHFFFAOYSA-N;140.14;0.41;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_P1";;;;;;;-1.06;;-3.82;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM447390;MM447390;C#CCCCC1CC1C#C;ATGGRUUUBBDCLF-UHFFFAOYSA-N;132.21;2.06;;;;;DOPC;MDCG;27;0;"MARTINI bead: C3_SC5";;;;;;;3.34;;0.48;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM447391;MM447391;C=COCOCOCC=O;DPKKRHPCQYIIDW-UHFFFAOYSA-N;146.14;0.29;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_P2";;;;;;;-0.24;;-3.24;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM447392;MM447392;C#CCNCC1CC1C#C;RFKVTJVMGJUMJJ-UHFFFAOYSA-N;133.19;0.48;;;;;DOPC;MDCG;27;1;"MARTINI bead: P2_SC5";;;;;;;0.54;;-3.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM447393;MM447393;C=NOCOCOCC#N;XQCPJGKSGCPTSA-UHFFFAOYSA-N;144.13;0.09;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_Na";;;;;;;0.04;;-2.54;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM447394;MM447394;C#CCCCC1NC1C#C;YEKFUFJCAFLDSD-UHFFFAOYSA-N;133.19;0.76;;;;;DOPC;MDCG;27;0;"MARTINI bead: C3_SP3";;;;;;;0.6;;-0.8;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM447395;MM447395;N#CCCOCONC=N;CPRNJKBWXNZZCN-UHFFFAOYSA-N;143.15;;;;;;DOPC;MDCG;27;1;"MARTINI bead: P4_Na";;;;;;;-1.19;;-6.28;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM447396;MM447396;C#CCCCC1OC1C#C;RENZTCIMINUYMX-UHFFFAOYSA-N;134.18;1.19;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_SNa";;;;;;;1.64;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM447397;MM447397;N#CCCOCONC=O;LQYADPYSQAXVKW-UHFFFAOYSA-N;144.13;-0.45;;;;;DOPC;MDCG;27;0;"MARTINI bead: P4_Na";;;;;;;-1.19;;-4.76;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM447398;MM447398;CC=CCCC1CC1CN;FDMXVNLTFAHGEK-UHFFFAOYSA-N;139.24;1.94;;;;;DOPC;MDCG;27;1;"MARTINI bead: C1_SNd";;;;;;;2.91;;-0.56;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM447399;MM447399;O=CNOCOCOC=O;QVRPOSXLJYMZDB-UHFFFAOYSA-N;149.1;-1.23;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_P2";;;;;;;-1.34;;-4.31;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM447400;MM447400;CCCN(C)NC(=N)C#N;QQAGAQDMZNRVLU-UHFFFAOYSA-N;140.19;0.33;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_P3";;;;;;;-0.33;;-2.01;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM447401;MM447401;C=NOCOCONC=N;RECUHVOCAMUUGD-UHFFFAOYSA-N;147.13;-0.32;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1_P2";;;;;;;-1.06;;-5.38;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM447402;MM447402;CCC1CC1CN=CNC;WKCNRDCKMXMYDL-UHFFFAOYSA-N;140.23;1.28;;;;;DOPC;MDCG;27;1;"MARTINI bead: SC3_P1";;;;;;;1.74;;-3.07;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM447403;MM447403;C#CCCCCCCC=O;FDUWUGBVLZWXAN-UHFFFAOYSA-N;138.21;2.16;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_C3";;;;;;;3.34;;0.48;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM447404;MM447404;CC=NNCC1CC1CC;HWVGTYBQAWZUKR-UHFFFAOYSA-N;140.23;1.63;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC3_Nd";;;;;;;2.57;;0.53;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM447405;MM447405;C#CCCCCCCC#N;OEOFPWADCNMNRX-UHFFFAOYSA-N;135.21;2.48;;;;;DOPC;MDCG;27;0;"MARTINI bead: C3_N0";;;;;;;2.87;;0.37;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM447406;MM447406;CC=NNCC1CC1CN;VRWUDTIZPOSLCH-UHFFFAOYSA-N;141.22;0.18;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_SNd";;;;;;;0.87;;-4.92;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM447407;MM447407;C#CCCCCCNN=C;CWBCLZGWYCMPKW-UHFFFAOYSA-N;138.21;1.39;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_C1";;;;;;;1.8;;0.4;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM447408;MM447408;CC=COCC1CC1CC;LUZLMXRIWXDWFT-UHFFFAOYSA-N;140.23;2.58;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC3_C5";;;;;;;3.34;;0.48;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM447409;MM447409;C#CCNCCCCC=C;HQZKZNUXYOFAAV-UHFFFAOYSA-N;137.23;1.57;;;;;DOPC;MDCG;27;1;"MARTINI bead: C1_P2";;;;;;;1.8;;-0.88;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM447410;MM447410;CC=COCC1CC1CN;POBOSKVWOPPNIJ-UHFFFAOYSA-N;141.21;1.13;;;;;DOPC;MDCG;27;1;"MARTINI bead: C5_SNd";;;;;;;1.64;;-2.7;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM447411;MM447411;C#CCNCCCCC=O;SBEUMMBZXBGDDA-UHFFFAOYSA-N;139.2;0.58;;;;;DOPC;MDCG;27;1;"MARTINI bead: Na_Nd";;;;;;;0.87;;-3.77;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM447412;MM447412;CC=NOCC1CC1CC;JLGYQHPWADDMQU-UHFFFAOYSA-N;141.21;2.05;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC3_Na";;;;;;;2.57;;0.45;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM447413;MM447413;C#CCNCCCCC#N;HADDBADXVFPPKD-UHFFFAOYSA-N;136.2;0.9;;;;;DOPC;MDCG;27;1;"MARTINI bead: P2_C5";;;;;;;0.54;;-3.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM447414;MM447414;CN=CNCC1CC1NC;NGXASYOOOFHKPP-UHFFFAOYSA-N;141.22;-0.16;;;;;DOPC;MDCG;27;1;"MARTINI bead: SNd_P1";;;;;;;0.04;;-6.37;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM447415;MM447415;C#CCNCCCOC=C;QXKXTCJNNNMKNC-UHFFFAOYSA-N;139.2;0.76;;;;;DOPC;MDCG;27;1;"MARTINI bead: Na_Nd";;;;;;;0.87;;-3.64;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM447416;MM447416;CC=NNCC1CC1NC;ZFYGLWCFSBJHJN-UHFFFAOYSA-N;141.22;0.19;;;;;DOPC;MDCG;27;1;"MARTINI bead: SNd_Nd";;;;;;;0.87;;-4.54;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM447417;MM447417;C#CCOCCCCC=C;UNPFTMWQJKZKFB-UHFFFAOYSA-N;138.21;1.99;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1_Na";;;;;;;2.91;;0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM447418;MM447418;CNC=NCC1CC1OC;INAVQZBGPKIEDH-UHFFFAOYSA-N;142.2;0.27;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1_SNa";;;;;;;0.04;;-6.23;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM447419;MM447419;C#CCOCCCCC=O;SPFOYDFQGRZKRU-UHFFFAOYSA-N;140.18;1.01;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_Na";;;;;;;0.87;;-2.22;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM447420;MM447420;COC1CC1CN=CNN;UGKNCOMGJYNKKI-UHFFFAOYSA-N;143.19;-0.49;;;;;DOPC;MDCG;27;1;"MARTINI bead: SNa_P3";;;;;;;-1.1;;-6.17;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM447421;MM447421;C#CCOCCCNC=N;OYUACJQMZNYQPH-UHFFFAOYSA-N;140.19;0.22;;;;;DOPC;MDCG;27;1;"MARTINI bead: P2_Na";;;;;;;-0.24;;-7.57;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM447422;MM447422;COC1CC1COC=NO;WLIYXYHOEXWQIJ-UHFFFAOYSA-N;145.16;0.46;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNa_P2";;;;;;;-0.24;;-3.24;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM447423;MM447423;C#CCOCCCOC=C;LFAYDYPYMMCFNX-UHFFFAOYSA-N;140.18;1.19;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_Na";;;;;;;0.87;;-2.22;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM447424;MM447424;CC=CCNC1CC1CN;WMGBGUITPFTDMU-UHFFFAOYSA-N;140.23;0.5;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_SNd";;;;;;;0.87;;-4.67;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM447425;MM447425;C#CCOCCCOC=O;POJLFNUSYPOOKO-UHFFFAOYSA-N;142.15;0.2;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_Na";;;;;;;0.87;;-2.22;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM447426;MM447426;CC=CCCC1NC1CN;WFMNMNRIGPNKPE-UHFFFAOYSA-N;140.23;0.64;;;;;DOPC;MDCG;27;1;"MARTINI bead: C1_SP2";;;;;;;1.8;;-0.85;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM447427;MM447427;C#CCCCCNCC=C;PHGBKQMVVSBGGH-UHFFFAOYSA-N;137.23;1.57;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_C3";;;;;;;2.57;;-1.24;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM447428;MM447428;NCC1NC1CN=CNO;AOHBEPXKNCVWSU-UHFFFAOYSA-N;144.18;-1.71;;;;;DOPC;MDCG;27;1;"MARTINI bead: SP2_P2";;;;;;;-1.34;;-5.98;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM447429;MM447429;C#CCCCCNCC#N;PAROOSJNUGQKIF-UHFFFAOYSA-N;136.2;0.9;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_P2";;;;;;;0.54;;-1.09;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM447430;MM447430;CC=COCC1OC1CC;HZPUAJWPHKPFNY-UHFFFAOYSA-N;142.2;1.71;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNa_C5";;;;;;;1.64;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM447431;MM447431;C#CCCCCNNC=N;POJWBDQHZYMRFI-UHFFFAOYSA-N;139.2;0.49;;;;;DOPC;MDCG;27;1;"MARTINI bead: P3_C5";;;;;;;-0.33;;-4.96;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM447432;MM447432;CC=COCC1CN1CC;XXZQLULSQQSTTC-UHFFFAOYSA-N;141.21;1.24;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNd_C5";;;;;;;1.64;;0.03;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM447433;MM447433;C#CCNCCNCC=C;NCTZFVUQXLYZNO-UHFFFAOYSA-N;138.21;-0.02;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_P2";;;;;;;-0.24;;-4.8;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM447434;MM447434;CC=CCCN1CC1CN;HUAVLQLVCCAXOO-UHFFFAOYSA-N;140.23;0.6;;;;;DOPC;MDCG;27;1;"MARTINI bead: C1_SP2";;;;;;;1.8;;-0.85;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM447435;MM447435;C#CCNCCNNC=N;AMAAAWWTFADYPD-UHFFFAOYSA-N;140.19;-1.09;;;;;DOPC;MDCG;27;1;"MARTINI bead: P4_P2";;;;;;;-2.29;;-8.73;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM447436;MM447436;C=CC1CC1CCC=CC;HHUUIGMUUAFIJI-UHFFFAOYSA-N;136.24;3.16;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1_SC4";;;;;;;4.24;;0.42;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM447437;MM447437;C#CCOCCNCC#N;HUANLXSNLARMDK-UHFFFAOYSA-N;138.17;-0.25;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_P2";;;;;;;-0.24;;-3.24;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM447438;MM447438;N#CC1CC1COC=CF;ZWVDHQKQRXMOHD-UHFFFAOYSA-N;141.15;1.6;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_SN0";;;;;;;1.17;;-1.18;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM447439;MM447439;C#CCOCCNNC=N;DVGASYFKOODZSG-UHFFFAOYSA-N;141.17;-0.66;;;;;DOPC;MDCG;27;1;"MARTINI bead: P4_Na";;;;;;;-1.19;;-7.56;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM447440;MM447440;CC(C)C(O)CC(C)(C)C;NPUIBFBNZSKEAP-UHFFFAOYSA-N;144.26;2.44;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda_C3";;;;;;;2.57;;0.44;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM447441;MM447441;C#CCNN=CC=C(F)F;LNFSXTRIJMHUGU-UHFFFAOYSA-N;144.12;0.98;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4_P1";;;;;;;1.37;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM447442;MM447442;C#CCCCCOCC=C;OYCTXCXOTURNAU-UHFFFAOYSA-N;138.21;1.99;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_C3";;;;;;;2.57;;0.45;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM447443;MM447443;N#CC1NC1CCC=CF;NSSXJTCGGMAUFL-UHFFFAOYSA-N;140.16;1.11;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4_SP2";;;;;;;1.09;;-0.38;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM447444;MM447444;C#CCCCCOCC#N;QDXFGMNLLREJDS-UHFFFAOYSA-N;137.18;1.33;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_Na";;;;;;;1.64;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM447445;MM447445;C=CC1NC1CON=CC;RUXQUCOKXHSDOC-UHFFFAOYSA-N;140.19;0.54;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_SP1";;;;;;;0.04;;-2.54;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM447446;MM447446;C#CCOCCOCC=C;BSCCFWQWTNDSIW-UHFFFAOYSA-N;140.18;0.84;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_Na";;;;;;;0.87;;-2.22;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM447447;MM447447;CC=NOCC1NC1C#N;NKRWNYNELSHBIN-UHFFFAOYSA-N;139.16;-0.13;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_SP2";;;;;;;-0.24;;-3.24;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM447448;MM447448;C#CCCNCCCC=C;YNRZYSIPKGMECT-UHFFFAOYSA-N;137.23;1.57;;;;;DOPC;MDCG;27;1;"MARTINI bead: C1_Nd";;;;;;;2.91;;-0.6;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM447449;MM447449;CC=COCC1OC1C=O;JLEMCGDGTHGFRS-UHFFFAOYSA-N;142.15;0.5;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_SP2";;;;;;;0.54;;-1.09;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM447450;MM447450;C#CCCNCCNC=N;MDQDMNIEMZFXAD-UHFFFAOYSA-N;139.2;-0.2;;;;;DOPC;MDCG;27;1;"MARTINI bead: P3_Nd";;;;;;;-1.1;;-7.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM447451;MM447451;N=CN1CC1CNC=NN;YGXCMZSJBUJLJM-UHFFFAOYSA-N;141.18;-1.23;;;;;DOPC;MDCG;27;1;"MARTINI bead: P3_SP2";;;;;;;-2.2;;-8.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM447452;MM447452;C#CCCNCCOC=O;TYPUABTURBYHQS-UHFFFAOYSA-N;141.17;-0.23;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1_Nd";;;;;;;0.04;;-4.24;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM447453;MM447453;CC=COCC1CN1C=N;UBYBACLZQGSZEJ-UHFFFAOYSA-N;140.19;0.83;;;;;DOPC;MDCG;27;1;"MARTINI bead: C5_SP2";;;;;;;0.54;;-3.73;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM447454;MM447454;C#CCCNCCON=C;AOEZHKAZIOYGLS-UHFFFAOYSA-N;140.19;0.23;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1_Nd";;;;;;;0.04;;-3.74;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM447455;MM447455;CC=COCC1CN1C=O;ZJCWYUWEMBXNQR-UHFFFAOYSA-N;141.17;0.38;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_SP2";;;;;;;0.54;;-1.09;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM447456;MM447456;C#CCCOCCCC=C;ZAQOKTPQFFUQRW-UHFFFAOYSA-N;138.21;1.99;;;;;DOPC;MDCG;27;0;"MARTINI bead: C3_Na";;;;;;;2.57;;0.45;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM447457;MM447457;C=NN=C(C)CC#CC=O;ZFFCNAJCRRHJRQ-UHFFFAOYSA-N;136.15;0.66;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_P1";;;;;;;0.81;;-0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM447458;MM447458;C#CCCOCCCC#N;GSENUKCVWRLXKA-UHFFFAOYSA-N;137.18;1.33;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_N0";;;;;;;1.17;;-1.18;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM447459;MM447459;C=NN1CC1CNC=NN;LOFXRYKIDURJPE-UHFFFAOYSA-N;141.18;-1.22;;;;;DOPC;MDCG;27;1;"MARTINI bead: P3_SP2";;;;;;;-2.2;;-6.27;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM447460;MM447460;C#CCCOCCNC=N;QOCBHZASUWJTHK-UHFFFAOYSA-N;140.19;0.22;;;;;DOPC;MDCG;27;1;"MARTINI bead: P2_Na";;;;;;;-0.24;;-7.15;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM447461;MM447461;C=NN1CC1COC=CC;XITTVGUABVMGNU-UHFFFAOYSA-N;140.19;0.84;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_SP2";;;;;;;0.54;;-1.09;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM447462;MM447462;C#CCCOCCOC=O;IRFBIHCVVRNHSO-UHFFFAOYSA-N;142.15;0.2;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_Na";;;;;;;0.87;;-2.22;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM447463;MM447463;C=NNC(C)C(=O)OCC;JVGYRTUOQGVIFW-UHFFFAOYSA-N;144.17;0.14;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_Nd";;;;;;;0.87;;-1.88;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM447464;MM447464;C#CCCOCCON=C;WOBIRWUVAUKLRY-UHFFFAOYSA-N;141.17;0.66;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_C5";;;;;;;0.81;;-0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM447465;MM447465;C=CC1CN1CCC=CC;PKEMMWDRPXCDAI-UHFFFAOYSA-N;137.23;1.82;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1_SP1";;;;;;;2.08;;0.51;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM447466;MM447466;C#CCCOCOCC=C;CXAGTRABTPUNNH-UHFFFAOYSA-N;140.18;1.19;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_Na";;;;;;;0.87;;-2.22;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM447467;MM447467;C#CC1CC1CCC=CF;RYYHEQNISSLWCS-UHFFFAOYSA-N;138.19;2.52;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4_SC5";;;;;;;2.97;;0.45;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM447468;MM447468;C#CCCOCOCC#N;XUODKUOFATVPMO-UHFFFAOYSA-N;139.15;0.52;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_P2";;;;;;;0.54;;-1.09;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM447469;MM447469;C#CC1CC1NCC=CC;WBDAVQJLHPUAKO-UHFFFAOYSA-N;135.21;1.17;;;;;DOPC;MDCG;27;1;"MARTINI bead: C2_SP1";;;;;;;2;;-0.31;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM447470;MM447470;C#CCCOCONC=O;WJYPXMYXZDQSBT-UHFFFAOYSA-N;143.14;-0.34;;;;;DOPC;MDCG;27;0;"MARTINI bead: P4_C5";;;;;;;-0.41;;-2.78;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM447471;MM447471;C#CC1NC1CCC=CF;PQSYJMLOCXLCTJ-UHFFFAOYSA-N;139.17;1.22;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4_SP2";;;;;;;1.09;;-0.37;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM447472;MM447472;C#CCCCOCCC=O;UJYNLYSVWUFHFW-UHFFFAOYSA-N;140.18;1.01;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_C3";;;;;;;1.46;;-0.15;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM447473;MM447473;C#CC1NC1COC=CC;RRONLKZAHSXSKN-UHFFFAOYSA-N;137.18;0.51;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_SP3";;;;;;;-0.33;;-2.01;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM447474;MM447474;C#CCCCOCCC#N;TWZTWXVOFNDPPD-UHFFFAOYSA-N;137.18;1.33;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_Na";;;;;;;1.64;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM447475;MM447475;C#CC1OC1CCC=NN;ITTLCEFYVZRXGP-UHFFFAOYSA-N;138.17;0.11;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nd_SNa";;;;;;;0.87;;-1.88;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM447476;MM447476;C#CCCCOCON=C;NZJSKVRCHAZOOX-UHFFFAOYSA-N;141.17;1.01;;;;;DOPC;MDCG;27;0;"MARTINI bead: P3_C3";;;;;;;0.6;;-0.8;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM447477;MM447477;C#CC1OC1CNC=NC;FKRBENMFIBMIKP-UHFFFAOYSA-N;138.17;-0.37;;;;;DOPC;MDCG;27;1;"MARTINI bead: P2_SNa";;;;;;;-0.24;;-6.36;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM447478;MM447478;C#CCOCOCCC=C;CAIGZUPTFZSXEF-UHFFFAOYSA-N;140.18;1.19;;;;;DOPC;MDCG;27;0;"MARTINI bead: C3_P2";;;;;;;1.46;;-0.15;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM447479;MM447479;C#CC1OC1CNN=CC;VQOOVSNFNOXBQH-UHFFFAOYSA-N;138.17;-0.02;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nd_SNa";;;;;;;0.87;;-1.88;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM447480;MM447480;C#CCCCCNCC#C;LUPRBDZICUJJLP-UHFFFAOYSA-N;135.21;1.01;;;;;DOPC;MDCG;27;1;"MARTINI bead: C5_Nd";;;;;;;1.64;;-1.88;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM447481;MM447481;C#CC1OC1COC=CC;YJTUZUPCPPIDRG-UHFFFAOYSA-N;138.17;0.94;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_SNa";;;;;;;1.64;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM447482;MM447482;C#CCCCCOCC#C;ZBGDXFPFGSVHEU-UHFFFAOYSA-N;136.19;1.44;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_Na";;;;;;;1.64;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM447483;MM447483;CC#CCNC1CC1CC;KUVZMMXYWSQHAA-UHFFFAOYSA-N;137.23;1.4;;;;;DOPC;MDCG;27;1;"MARTINI bead: SC3_Nd";;;;;;;2.57;;-0.37;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM447484;MM447484;C#CCNCCNCC#C;LTJPQTWULSMWQI-UHFFFAOYSA-N;136.2;-0.57;;;;;DOPC;MDCG;27;1;"MARTINI bead: P2_Nd";;;;;;;-0.24;;-4.44;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM447485;MM447485;CC#CCCC1OC1CC;KUYNJSVLHRVRSX-UHFFFAOYSA-N;138.21;1.97;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNa_C4";;;;;;;2.2;;0.34;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM447486;MM447486;C#CCOCCOCC#C;RNHWCSPBGKGOLM-UHFFFAOYSA-N;138.17;0.29;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_Na";;;;;;;0.87;;-2.22;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM447487;MM447487;CC#CCCC1CC1C#N;OXNVIBDIYDWJAV-UHFFFAOYSA-N;133.19;1.95;;;;;DOPC;MDCG;27;0;"MARTINI bead: C3_SN0";;;;;;;2.87;;0.37;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM447488;MM447488;C#CCCCNCCC#C;ZLEGUWDMUIZDBU-UHFFFAOYSA-N;135.21;1.01;;;;;DOPC;MDCG;27;1;"MARTINI bead: C3_Nd";;;;;;;2.57;;-1.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM447489;MM447489;C=CC1CC1OCC#CC;DUCWPONNKGGPMR-UHFFFAOYSA-N;136.19;1.6;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_SC4";;;;;;;2.97;;0.45;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM447490;MM447490;C#CCCCOCCC#C;FDZMHYZPTSMBEI-UHFFFAOYSA-N;136.19;1.44;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_Na";;;;;;;1.64;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM447491;MM447491;C#CCCOCOCC#C;PGAGHUUUYFIGMU-UHFFFAOYSA-N;138.17;0.63;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_P2";;;;;;;0.54;;-1.09;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM447492;MM447492;CC#CCOC1CC1C=O;KHPDCJOSHMINJB-UHFFFAOYSA-N;138.17;0.61;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_SNa";;;;;;;1.64;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM447493;MM447493;CC=CCCCCCCN;FYWIMLFLIFKOEA-UHFFFAOYSA-N;141.26;2.47;;;;;DOPC;MDCG;27;1;"MARTINI bead: C1_Nd";;;;;;;2.91;;-0.56;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM447494;MM447494;C=CC1OC1CCC#CC;NDLIUHSPXFUVIX-UHFFFAOYSA-N;136.19;1.74;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4_SNa";;;;;;;2.2;;0.34;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM447495;MM447495;NCCCCCCC=CF;FCPGUYDHUVBYCL-UHFFFAOYSA-N;145.22;2.38;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_C3";;;;;;;2.57;;-1.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM447496;MM447496;CC#CCCC1OC1C#N;OUBWAAAVIOXAOT-UHFFFAOYSA-N;135.17;1.08;;;;;DOPC;MDCG;27;0;"MARTINI bead: C3_SP1";;;;;;;1.74;;0.29;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM447497;MM447497;CC1CC(C)(O)CC1(C)C;QHXJEKSHWUJHBR-UHFFFAOYSA-N;142.24;2.19;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNda_SC1";;;;;;;2.91;;0.57;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM447498;MM447498;C=CC1CN1CCC#CC;MCFFIPFSJXGUEB-UHFFFAOYSA-N;135.21;1.27;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4_SNd";;;;;;;2.2;;0.32;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM447499;MM447499;C#CC1CC1CCC#CC;VVTNALSACLOLLD-UHFFFAOYSA-N;132.21;2.06;;;;;DOPC;MDCG;27;0;"MARTINI bead: C3_SC5";;;;;;;3.34;;0.48;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM447500;MM447500;CC=CCCCCCNC;BETHUUXXJOBAIM-UHFFFAOYSA-N;141.26;2.34;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_C1";;;;;;;2.91;;-0.86;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM447501;MM447501;C#CC1CC1OCC#CC;HJNLFRJCAUVLRN-UHFFFAOYSA-N;134.18;1.05;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_SC5";;;;;;;2.41;;0.64;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM447502;MM447502;CNCCCCCC=NN;WEZCQRQHWNOORR-UHFFFAOYSA-N;143.23;0.71;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_Nd";;;;;;;0.87;;-5.24;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM447503;MM447503;CNCCCCCC=NO;ASMOCFMLYYIMLZ-UHFFFAOYSA-N;144.22;1.23;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_Nda";;;;;;;0.87;;-4.86;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM447504;MM447504;C#CC1NC1CCC#CC;GNTOXMRTDAMAHJ-UHFFFAOYSA-N;133.19;0.76;;;;;DOPC;MDCG;27;0;"MARTINI bead: C3_SP3";;;;;;;0.6;;-0.8;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM447505;MM447505;COCCCCCC=NO;UASWPJMWRTYKRA-UHFFFAOYSA-N;145.2;1.65;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_Nda";;;;;;;0.87;;-1.99;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM447506;MM447506;C#CC1OC1CCC#CC;OZSRRGWYAHWOKS-UHFFFAOYSA-N;134.18;1.19;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4_SNa";;;;;;;2.2;;0.34;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM447507;MM447507;CC=CCCCCNCC;RREPGTSKRCIIOR-UHFFFAOYSA-N;141.26;2.34;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_C1";;;;;;;2.91;;-0.94;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM447508;MM447508;CCC=CCC1CC1CC;URELORYKMYXNJN-UHFFFAOYSA-N;138.25;3.39;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1_SC3";;;;;;;4.61;;0.31;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM447509;MM447509;CCNCCCCC=NN;OUHXLMLJPTYMDY-UHFFFAOYSA-N;143.23;0.71;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_Nd";;;;;;;0.87;;-5.32;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM447510;MM447510;CCC=CCC1CC1CN;ZTNYTCHCXHPQMB-UHFFFAOYSA-N;139.24;1.94;;;;;DOPC;MDCG;27;1;"MARTINI bead: C1_SNd";;;;;;;2.91;;-0.56;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM447511;MM447511;CCNCCCCC=NO;YAKNZITUTDIABG-UHFFFAOYSA-N;144.22;1.23;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_Nda";;;;;;;0.87;;-4.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM447512;MM447512;CCCN(N)C(=O)C=CN;SOOGOVAZKHBRFC-UHFFFAOYSA-N;143.19;-0.43;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_P3";;;;;;;-0.33;;-2.01;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM447513;MM447513;CCOCCCCC=NN;KMOLMPCDORHYHH-UHFFFAOYSA-N;144.22;1.14;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_Nd";;;;;;;1.64;;0.02;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM447514;MM447514;CCNN(C)C(=O)C=CN;WFMBEQHKAXLHAF-UHFFFAOYSA-N;143.19;-0.56;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_P3";;;;;;;-0.33;;-2.01;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM447515;MM447515;CN=CNCCCCCN;ANOTZOUPLRDUHV-UHFFFAOYSA-N;143.23;0.36;;;;;DOPC;MDCG;27;1;"MARTINI bead: N0_P1";;;;;;;0.34;;-5.4;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM447516;MM447516;CCC1CC1CC=NOC;TWXNMZVXTREVIA-UHFFFAOYSA-N;141.21;2.05;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC3_Na";;;;;;;2.57;;0.45;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM447517;MM447517;NCCCCCN=CNO;LIPHONSRKMTIMK-UHFFFAOYSA-N;145.21;0.12;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_P2";;;;;;;-0.24;;-5.94;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM447518;MM447518;CCC=CCC1CC1NC;DTVQPENRDXTCNK-UHFFFAOYSA-N;139.24;1.95;;;;;DOPC;MDCG;27;1;"MARTINI bead: C1_SNd";;;;;;;2.91;;-0.59;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM447519;MM447519;CN=CNCCCCCF;WZSRPVIZILUCJR-UHFFFAOYSA-N;146.21;1.37;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1_C4";;;;;;;1.37;;-3.76;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM447520;MM447520;CNC1CC1CC=CCO;GQNFJUSOFNNHSF-UHFFFAOYSA-N;141.21;0.53;;;;;DOPC;MDCG;27;1;"MARTINI bead: SNd_Nda";;;;;;;0.87;;-4.75;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM447521;MM447521;CC=NNCCCCOC;ILWKWCVWSQJNTB-UHFFFAOYSA-N;144.22;1.01;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_Nd";;;;;;;0.87;;-1.88;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM447522;MM447522;CCC=CCC1CC1OC;KKIZZOZOLUBABZ-UHFFFAOYSA-N;140.23;2.38;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1_SNa";;;;;;;2.91;;0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM447523;MM447523;CCNCCCN=CNC;WQQZZEUDLSKPNJ-UHFFFAOYSA-N;143.23;0.23;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_P1";;;;;;;0.04;;-6.45;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM447524;MM447524;CCC=NNC1CC1NC;AWPWRPLSKYLTQY-UHFFFAOYSA-N;141.22;0.33;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_SNd";;;;;;;0.87;;-3.41;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM447525;MM447525;CCNCCCN=CNO;XWIIKSWMDHSPFG-UHFFFAOYSA-N;145.21;-0.01;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_P2";;;;;;;-0.24;;-5.62;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM447526;MM447526;CCC=NOC1CC1CC;MPFUCEWPIFWANV-UHFFFAOYSA-N;141.21;2.2;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_SC3";;;;;;;2.57;;0.45;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM447527;MM447527;CC=NNCCCNCC;OVFJUEHODLWFJX-UHFFFAOYSA-N;143.23;0.58;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_Nd";;;;;;;0.87;;-4.96;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM447528;MM447528;NCC1NC1CC=CCF;UIIWLADVAOTLKU-UHFFFAOYSA-N;144.19;0.2;;;;;DOPC;MDCG;27;1;"MARTINI bead: SP2_C4";;;;;;;1.09;;-2.28;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM447529;MM447529;CCOCCCN=CNC;JTLPMBHWMIRTGZ-UHFFFAOYSA-N;144.22;0.66;;;;;DOPC;MDCG;27;1;"MARTINI bead: C5_P1";;;;;;;0.81;;-4.26;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM447530;MM447530;NCC=CCC1OC1CN;NODURZJVCUKKJR-UHFFFAOYSA-N;142.2;-0.38;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_SP2";;;;;;;-0.24;;-5.59;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM447531;MM447531;CC=NNCCCOCC;ROLHTZFVQZKROG-UHFFFAOYSA-N;144.22;1.01;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_Nd";;;;;;;0.87;;-1.88;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM447532;MM447532;CCN1CC1CC=CCN;JPKODPRKLGFBLJ-UHFFFAOYSA-N;140.23;0.6;;;;;DOPC;MDCG;27;1;"MARTINI bead: SNd_P1";;;;;;;0.04;;-4.87;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM447533;MM447533;CC(=O)C=CC=NN(C)C;VVMKZTLCQVAQCS-UHFFFAOYSA-N;140.19;0.68;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_C5";;;;;;;0.54;;-1.09;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM447534;MM447534;CCC1CN1CC=CCN;ITCDANHCAOSDBV-UHFFFAOYSA-N;140.23;0.6;;;;;DOPC;MDCG;27;1;"MARTINI bead: SNd_P1";;;;;;;0.04;;-4.87;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM447535;MM447535;CNCCCCOC=NN;LONPQGVNRUNMOW-UHFFFAOYSA-N;145.21;-0.1;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_P1";;;;;;;0.04;;-5.75;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM447536;MM447536;C=NNC(C)C(=O)C=CN;ILYSFEOIINJBDX-UHFFFAOYSA-N;141.17;-0.38;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nd_P2";;;;;;;-0.24;;-3.16;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM447537;MM447537;COCCCCOC=CF;MNICIVTVUUFGPN-UHFFFAOYSA-N;148.18;1.87;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_C5";;;;;;;1.64;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM447538;MM447538;CCC=CCN1CC1CF;ONEKXGZTNCAESO-UHFFFAOYSA-N;143.21;1.61;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_SP1";;;;;;;0.81;;-0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM447539;MM447539;CC=NOCCCCNC;YIGLUSCWUGLGAU-UHFFFAOYSA-N;144.22;1.01;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_Na";;;;;;;0.87;;-5.01;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM447540;MM447540;CCC1CN1CC=COC;QXLFADWEQNPINI-UHFFFAOYSA-N;141.21;1.24;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNd_Na";;;;;;;0.87;;-1.88;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM447541;MM447541;CCNCCCOC=CF;VBRMNRABNAMGSP-UHFFFAOYSA-N;147.19;1.44;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_N0";;;;;;;1.17;;-4.01;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM447542;MM447542;CCC1CC1CC=CC=O;GXGAMBUWPAANBM-UHFFFAOYSA-N;138.21;2.18;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC3_Na";;;;;;;2.57;;0.45;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM447543;MM447543;CC=COCCCOCC;SCNHVQAWEKZZNU-UHFFFAOYSA-N;144.21;1.96;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_C5";;;;;;;2.41;;0.64;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM447544;MM447544;CCC1CC1CC=CC#N;SAMOIBXFAHUDAR-UHFFFAOYSA-N;135.21;2.5;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC3_N0";;;;;;;2.87;;0.37;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM447545;MM447545;CCOCCCOC=NO;MHQZNUHPYXEKEC-UHFFFAOYSA-N;147.17;0.85;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_Nda";;;;;;;0.87;;-1.99;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM447546;MM447546;C=CC=CCC1CC1CN;HTRBQQBHESURTC-UHFFFAOYSA-N;137.23;1.71;;;;;DOPC;MDCG;27;1;"MARTINI bead: SNd_C1";;;;;;;2.91;;-0.56;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM447547;MM447547;CC=NOCCCOCC;KAFYYTFPDHWXCE-UHFFFAOYSA-N;145.2;1.44;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_Na";;;;;;;1.64;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM447548;MM447548;C#CCN(N)C(=O)C=CN;OJVUHBFUXKFSJO-UHFFFAOYSA-N;139.16;-1.21;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_P2";;;;;;;-1.06;;-3.82;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM447549;MM447549;CC=CCCCNCCC;JLQHNBJWZNSZSX-UHFFFAOYSA-N;141.26;2.34;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_C1";;;;;;;2.91;;-1.09;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM447550;MM447550;NC=CC(=O)N(N)C=CF;YBDGQFVVWFIYQS-UHFFFAOYSA-N;145.14;-0.4;;;;;DOPC;MDCG;27;0;"MARTINI bead: P4_C5";;;;;;;-0.41;;-2.78;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM447551;MM447551;CCCNCCCC=CF;HLZIYQQTAAWNSA-UHFFFAOYSA-N;145.22;2.25;;;;;DOPC;MDCG;27;1;"MARTINI bead: C5_C4";;;;;;;2.97;;-0.58;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM447552;MM447552;C=CC=CCC1CC1CF;ARKUHHRRMUJTKB-UHFFFAOYSA-N;140.2;2.72;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC5_C1";;;;;;;3.68;;0.46;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM447553;MM447553;FC=CCCCNCCF;SAJXCTXAKHPNES-UHFFFAOYSA-N;149.18;1.81;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1_C3";;;;;;;1.74;;-1.03;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM447554;MM447554;CCCNCCCC=NN;KAVYHCZVVYLFFY-UHFFFAOYSA-N;143.23;0.71;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_Nd";;;;;;;0.87;;-5.48;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM447555;MM447555;O=CC=CCC1CC1CF;BMRNNEFQJSQFRS-UHFFFAOYSA-N;142.17;1.74;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC5_Na";;;;;;;1.64;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM447556;MM447556;CCCNCCCC=NO;ZYKVJBOECWFMKM-UHFFFAOYSA-N;144.22;1.23;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_Nda";;;;;;;0.87;;-6.1;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM447557;MM447557;C=NN=CCC1CC1CC;HDICJJKQPOMQAM-UHFFFAOYSA-N;138.21;2.11;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC3_C5";;;;;;;3.34;;0.48;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM447558;MM447558;C=NN=CCC1CC1CF;CILULATYBSYMEY-UHFFFAOYSA-N;142.18;1.67;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC5_C5";;;;;;;2.41;;0.64;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM447559;MM447559;NCCNCCCC=NO;YVKOPSWUZTZROX-UHFFFAOYSA-N;145.21;-0.23;;;;;DOPC;MDCG;27;1;"MARTINI bead: P2_P1";;;;;;;-1.06;;-6.49;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM447560;MM447560;C=CC=CCC1CC1NC;PMKHPNTUXRQVPB-UHFFFAOYSA-N;137.23;1.73;;;;;DOPC;MDCG;27;1;"MARTINI bead: SNd_C1";;;;;;;2.91;;-0.59;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM447561;MM447561;OCCNCCCC=NO;XUAMZXCSLJIRCI-UHFFFAOYSA-N;146.19;-0.19;;;;;DOPC;MDCG;27;1;"MARTINI bead: P2_Nda";;;;;;;-0.24;;-5.77;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM447562;MM447562;C=NN=CCC1CC1OC;SOLBSCRZZUMWID-UHFFFAOYSA-N;140.19;1.1;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNa_C5";;;;;;;1.64;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM447563;MM447563;CCCNCCN=CNC;FSGJPGJTAQFTMH-UHFFFAOYSA-N;143.23;0.23;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_P1";;;;;;;0.04;;-6.18;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM447564;MM447564;CCC1CC1NC=CC#N;SJAGAMVAGAYROU-UHFFFAOYSA-N;136.2;1.41;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC3_P1";;;;;;;1.74;;0.29;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM447565;MM447565;CCCNCCN=CNN;LGQIDIWWXQYYIJ-UHFFFAOYSA-N;144.22;-0.52;;;;;DOPC;MDCG;27;1;"MARTINI bead: C5_P4";;;;;;;-0.41;;-4.76;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM447566;MM447566;CN=CNCCNCCF;VMHYYOWTQNLVDM-UHFFFAOYSA-N;147.2;-0.21;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1_P1";;;;;;;-0.79;;-6.68;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM447567;MM447567;N#CC=NNC1CC1CF;WIWNTKRNNMLDBO-UHFFFAOYSA-N;141.15;0.44;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC5_Nd";;;;;;;1.64;;0.02;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM447568;MM447568;CC=NNCCNCCC;MZOBYQMCTFTHIA-UHFFFAOYSA-N;143.23;0.58;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_Nd";;;;;;;0.87;;-4.01;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM447569;MM447569;CCC1CC1OC=CC#N;RILFSBZVYNPJBM-UHFFFAOYSA-N;137.18;1.84;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC3_Na";;;;;;;2.57;;0.45;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM447570;MM447570;CC=COCCNCCC;DNOWZIWJRKHXOD-UHFFFAOYSA-N;143.23;1.54;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_C5";;;;;;;1.64;;-2.42;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM447571;MM447571;CCC1CC1ON=CC#N;PQNPXRYWVDPMMK-UHFFFAOYSA-N;138.17;1.31;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC3_Na";;;;;;;2.57;;0.45;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM447572;MM447572;CCCNCCOC=CF;PFYSDTZYQWKOTG-UHFFFAOYSA-N;147.19;1.44;;;;;DOPC;MDCG;27;1;"MARTINI bead: C5_Na";;;;;;;1.64;;-2.46;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM447573;MM447573;C=CC=NOC1CC1CN;OWVRKWFPOAWLRH-UHFFFAOYSA-N;140.19;0.52;;;;;DOPC;MDCG;27;1;"MARTINI bead: SNd_Na";;;;;;;0.87;;-4.61;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM447574;MM447574;NCCNCCOC=CF;FCQIGJSUZJEHTN-UHFFFAOYSA-N;148.18;-0.01;;;;;DOPC;MDCG;27;1;"MARTINI bead: P3_N0";;;;;;;-0.8;;-5.21;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM447575;MM447575;CCC1OC1CC=CC=O;WGMVJIPMPIHNGZ-UHFFFAOYSA-N;140.18;1.31;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNa_Na";;;;;;;0.87;;-2.22;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM447576;MM447576;OCCNCCOC=NO;MXZQJSADVAGEST-UHFFFAOYSA-N;148.16;-1;;;;;DOPC;MDCG;27;1;"MARTINI bead: P2_P2";;;;;;;-1.34;;-5.95;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM447577;MM447577;CCC1OC1CC=CC#N;DPJPYMZGPKCKTP-UHFFFAOYSA-N;137.18;1.63;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNa_N0";;;;;;;1.17;;-1.18;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM447578;MM447578;CC=NOCCNCCC;GTEBZATWCOWVFD-UHFFFAOYSA-N;144.22;1.01;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_Na";;;;;;;0.87;;-3.5;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM447579;MM447579;CC(=N)N(N)C(=O)C=CN;FHAFYDWSFGADOG-UHFFFAOYSA-N;142.16;-0.84;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_P2";;;;;;;-1.34;;-4.31;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM447580;MM447580;CC=CCCCOCCC;QZIVTQWRXKKFPR-UHFFFAOYSA-N;142.24;2.77;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4_C2";;;;;;;4.16;;0.44;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM447581;MM447581;C#CCC(=NOC)NOC;RWHBSGRPWZPTRY-UHFFFAOYSA-N;142.16;0.12;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_N0";;;;;;;0.34;;-1.53;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM447582;MM447582;CC=CCCCOCCN;IYYXAELJVNPICX-UHFFFAOYSA-N;143.23;1.32;;;;;DOPC;MDCG;27;1;"MARTINI bead: C1_P2";;;;;;;1.8;;-0.94;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM447583;MM447583;C#CC=CCC1CC1CC;YZBKGCBZBYPFGW-UHFFFAOYSA-N;134.22;2.61;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC3_C4";;;;;;;3.9;;0.47;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM447584;MM447584;CC=CCCCOCCO;DTNLHLGJTUFVBO-UHFFFAOYSA-N;144.21;1.35;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1_P2";;;;;;;1.8;;0.4;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM447585;MM447585;C#CC=CCC1CC1CN;RPFDTZCHLNCUKL-UHFFFAOYSA-N;135.21;1.16;;;;;DOPC;MDCG;27;1;"MARTINI bead: SNd_C4";;;;;;;2.2;;-2.22;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM447586;MM447586;CCCOCCCC=NO;ZIUZNWLCEFOOCL-UHFFFAOYSA-N;145.2;1.65;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4_P1";;;;;;;1.37;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM447587;MM447587;Cc1nc(=O)n(C)cc1N;XUEXUXDFZQXCFG-UHFFFAOYSA-N;139.16;-0.33;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP1_SNd";;;;;;;0.04;;-2.63;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM447588;MM447588;OCCOCCCC=NO;RCEZZVRAQAGEMH-UHFFFAOYSA-N;147.17;0.24;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_Nda";;;;;;;-0.24;;-3.31;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM447589;MM447589;C#CC=CCC1CC1CF;CMOVAWOZHALVGN-UHFFFAOYSA-N;138.19;2.17;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC5_C4";;;;;;;2.97;;0.45;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM447590;MM447590;CC=CCCCOCOC;JFGCCSKVMBDRLU-UHFFFAOYSA-N;144.21;1.96;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_C1";;;;;;;1.8;;0.4;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM447591;MM447591;C#CC=CCC1CC1NC;GVGWPPVMDUDUBE-UHFFFAOYSA-N;135.21;1.17;;;;;DOPC;MDCG;27;1;"MARTINI bead: SNd_C4";;;;;;;2.2;;-2.25;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM447592;MM447592;CN=CNCCOCCN;NLSAHIIHAPBMKH-UHFFFAOYSA-N;145.21;-0.79;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1_P2";;;;;;;-1.06;;-7.1;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM447593;MM447593;C#CC=CCC1CC1OC;YGCJJNMIGGSBIR-UHFFFAOYSA-N;136.19;1.6;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNa_C4";;;;;;;2.2;;0.34;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM447594;MM447594;CNC=NCCOCOC;ULXSSTQJUMFVKS-UHFFFAOYSA-N;146.19;-0.15;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_P2";;;;;;;-0.24;;-6.43;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM447595;MM447595;C#CC=NNC1CC1CN;RAEZAVATJMLNBX-UHFFFAOYSA-N;137.19;-0.46;;;;;DOPC;MDCG;27;1;"MARTINI bead: SNd_P1";;;;;;;0.04;;-5.09;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM447596;MM447596;CC=NNCCOCOC;CZSMDWRXCWMGNS-UHFFFAOYSA-N;146.19;0.2;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_Nd";;;;;;;0.04;;-2.63;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM447597;MM447597;C#CC=NNC1CC1CF;JGXYNUWJPZGXSW-UHFFFAOYSA-N;140.16;0.55;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC5_P1";;;;;;;0.81;;-0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM447598;MM447598;CCCOCCOC=CF;GQODWPFTNLFQMH-UHFFFAOYSA-N;148.18;1.87;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4_Na";;;;;;;2.2;;0.34;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM447599;MM447599;C#CC=NNC1CC1NC;QIVKXPPEPDPFMG-UHFFFAOYSA-N;137.19;-0.44;;;;;DOPC;MDCG;27;1;"MARTINI bead: SNd_P1";;;;;;;0.04;;-3.93;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM447600;MM447600;CC=COCCOCCN;LUCSZDYVNIMVSQ-UHFFFAOYSA-N;145.2;0.51;;;;;DOPC;MDCG;27;1;"MARTINI bead: Na_P1";;;;;;;0.04;;-4.58;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM447601;MM447601;C#CC=COC1CC1CC;BJNPDOOGOHFRQB-UHFFFAOYSA-N;136.19;1.95;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC3_N0";;;;;;;2.87;;0.37;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM447602;MM447602;CC=COCCOCCO;IIGMIDVMRSLOGZ-UHFFFAOYSA-N;146.19;0.55;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_P2";;;;;;;0.54;;-1.09;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM447603;MM447603;C#CC=NOC1CC1OC;VYLIHVSNEGJCHC-UHFFFAOYSA-N;139.15;0.41;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNa_Na";;;;;;;0.87;;-2.22;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM447604;MM447604;CCCOCCOC=NO;XLOAVUCMQUQWLR-UHFFFAOYSA-N;147.17;0.85;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_Nda";;;;;;;0.87;;-1.99;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM447605;MM447605;C#CC=CCC1OC1CC;DZHSVVYIMIIPHS-UHFFFAOYSA-N;136.19;1.74;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNa_C4";;;;;;;2.2;;0.34;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM447606;MM447606;NCCOCCOC=NO;SFOTUYNYCCBJAU-UHFFFAOYSA-N;148.16;-0.6;;;;;DOPC;MDCG;27;1;"MARTINI bead: P2_P2";;;;;;;-1.34;;-6.13;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM447607;MM447607;C#CC=CCC1OC1CN;XDZLVUQXTXFFKS-UHFFFAOYSA-N;137.18;0.29;;;;;DOPC;MDCG;27;1;"MARTINI bead: SP2_C4";;;;;;;1.09;;-2.33;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM447608;MM447608;CON=C(C)C=CC(C)=O;IJYAESJJXRUWLX-UHFFFAOYSA-N;141.17;1.15;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_P1";;;;;;;0.81;;-0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM447609;MM447609;C#CC=CCN1CC1CC;XHASAVRQCWCCCM-UHFFFAOYSA-N;135.21;1.27;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP1_Nd";;;;;;;0.04;;-2.63;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM447610;MM447610;OCCOCCOC=NO;HGSNXCFLKUQHRM-UHFFFAOYSA-N;149.15;-0.57;;;;;DOPC;MDCG;27;0;"MARTINI bead: P3_Nda";;;;;;;-1.1;;-3.97;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM447611;MM447611;C#CC=CCN1CC1CN;UGDZOFDQBNDZQZ-UHFFFAOYSA-N;136.2;-0.18;;;;;DOPC;MDCG;27;1;"MARTINI bead: SP2_Nd";;;;;;;-0.24;;-5.1;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM447612;MM447612;CC#CC(=N)NN=C(C)C;LEVGGCPHJQKYPK-UHFFFAOYSA-N;137.19;0.97;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nd_Nd";;;;;;;0.87;;-2.11;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM447613;MM447613;CC1(NNC(=N)C#N)CC1;ZIGCNBDDUBSPRT-UHFFFAOYSA-N;138.17;0.13;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNd_P2";;;;;;;-0.24;;-3.16;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM447614;MM447614;ON=COCCOCCF;MNXIGOJBTJEHMC-UHFFFAOYSA-N;151.14;0.41;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_Na";;;;;;;-0.24;;-3.24;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM447615;MM447615;CC=COCCOCOC;OQDLMPYSXPZPSY-UHFFFAOYSA-N;146.19;1.16;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_C5";;;;;;;0.81;;-0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM447616;MM447616;C=CC1CC1CC=CCC;JBOKVZMWRDXFNA-UHFFFAOYSA-N;136.24;3.16;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1_SC4";;;;;;;4.24;;0.42;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM447617;MM447617;COCOCCOC=NO;IJOPEPAWTMLGNF-UHFFFAOYSA-N;149.15;0.04;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_Nda";;;;;;;-0.24;;-3.31;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM447618;MM447618;N#CC1(C#N)ONC(=N)O1;AYYATJGXMITIEJ-UHFFFAOYSA-N;138.09;-0.78;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP2_SP2";;;;;;;-1.34;;-4.31;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM447619;MM447619;CC=NOCCOCCN;GBWNEQCJVWODDZ-UHFFFAOYSA-N;146.19;-0.02;;;;;DOPC;MDCG;27;1;"MARTINI bead: Na_P2";;;;;;;-0.24;;-5.28;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM447620;MM447620;CNN=CC(F)CC=CF;ZRXUFDXLZARTCF-UHFFFAOYSA-N;148.16;1.4;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_C5";;;;;;;0.54;;-1.09;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM447621;MM447621;CC=NOCCOCOC;MOEQSLCGETVEHL-UHFFFAOYSA-N;147.17;0.63;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_C5";;;;;;;0.54;;-1.09;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM447622;MM447622;CCC=CCC1OC1C=O;PWJLOTJFMJIHCT-UHFFFAOYSA-N;140.18;1.31;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1_SP2";;;;;;;1.8;;0.4;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM447623;MM447623;CC=CCNCCCCC;YWAOLXODZWSMJB-UHFFFAOYSA-N;141.26;2.34;;;;;DOPC;MDCG;27;1;"MARTINI bead: C1_C5";;;;;;;3.68;;0.58;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM447624;MM447624;N#CC1OC1CC=CCF;OBXFTSWWGQTXRI-UHFFFAOYSA-N;141.15;1.19;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4_SP1";;;;;;;1.37;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM447625;MM447625;CC=CCNCCCCN;IKRDCDVWFSNUSS-UHFFFAOYSA-N;142.25;0.89;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_Nd";;;;;;;0.87;;-5.09;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM447626;MM447626;C=CC1CN1CC=CCC;PEHNHKLUSZPBDD-UHFFFAOYSA-N;137.23;1.82;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_SP1";;;;;;;0.81;;-0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM447627;MM447627;CC=CCNCCCCO;QVAKLNKDZLHKLO-UHFFFAOYSA-N;143.23;0.92;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_Nda";;;;;;;0.87;;-4.13;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM447628;MM447628;C=CC(=O)C(C)NN=CC;NVFYORYDAICQNA-UHFFFAOYSA-N;140.19;0.73;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nd_Na";;;;;;;0.87;;-1.88;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM447629;MM447629;CC=CCNCCCCF;XVMLLTAHIAPVMB-UHFFFAOYSA-N;145.22;1.9;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_C4";;;;;;;2.2;;-1.94;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM447630;MM447630;C=CC1CN1CC=NNC;CLRFZFOSNUVLQR-UHFFFAOYSA-N;139.2;0.06;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_SNd";;;;;;;-0.24;;-3.16;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM447631;MM447631;FC=CCNCCCCF;ZGBMIMKNSYHBNL-UHFFFAOYSA-N;149.18;1.81;;;;;DOPC;MDCG;27;1;"MARTINI bead: C4_P1";;;;;;;1.37;;-2.01;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM447632;MM447632;C=CC1CN1NC=NCC;CLRYLRKIMHHGFV-UHFFFAOYSA-N;139.2;0.41;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_SP1";;;;;;;0.04;;-4.49;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM447633;MM447633;CC=CCNCCNCC;JVNUPJXZRZAKBJ-UHFFFAOYSA-N;142.25;0.76;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_Nd";;;;;;;0.87;;-4.42;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM447634;MM447634;C=CC1CC1CC=CC=O;TWVJULVMIZUUHV-UHFFFAOYSA-N;136.19;1.95;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC4_Na";;;;;;;2.2;;0.34;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM447635;MM447635;CN=CNNCCCCN;WKNBPLMBURVAAA-UHFFFAOYSA-N;144.22;-0.52;;;;;DOPC;MDCG;27;1;"MARTINI bead: P3_Nd";;;;;;;-1.1;;-6.8;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM447636;MM447636;C=CC1CC1CC=CC#N;SRJOGUULKRBZHG-UHFFFAOYSA-N;133.19;2.28;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC4_N0";;;;;;;2.5;;0.44;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM447637;MM447637;CON=C(NN)OC(C)=O;DKPFCZXQEKWEHD-UHFFFAOYSA-N;147.13;-1.07;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_Na";;;;;;;-0.24;;-3.24;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM447638;MM447638;N#CC1CC1CC=CC=O;CEYGGDNWNHNJBH-UHFFFAOYSA-N;135.17;1.29;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_SN0";;;;;;;1.17;;-1.18;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM447639;MM447639;COCON=C(C)C(F)F;BNLBWBFJGXNGEW-UHFFFAOYSA-N;153.13;1.25;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_C5";;;;;;;0.54;;-1.09;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM447640;MM447640;C=CC1CC1CC=NN=C;FPNIKHPJJVRGAT-UHFFFAOYSA-N;136.2;1.89;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC4_C5";;;;;;;2.97;;0.45;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM447641;MM447641;CCNCCNN=CNO;FBLCQXUIGHKXQF-UHFFFAOYSA-N;146.19;-0.89;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_P4";;;;;;;-1.19;;-6.33;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM447642;MM447642;C=NN=CCC1CC1C#N;UWIHLHVOGNJQES-UHFFFAOYSA-N;135.17;1.22;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_SN0";;;;;;;1.94;;0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM447643;MM447643;CCOCCNN=CNC;AEWPUUWDPVOMCH-UHFFFAOYSA-N;145.21;-0.22;;;;;DOPC;MDCG;27;1;"MARTINI bead: C5_P3";;;;;;;-0.33;;-3.7;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM447644;MM447644;C=CC1CC1ON=CC#N;LFRBMGPWNWPEPU-UHFFFAOYSA-N;136.15;1.09;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC4_Na";;;;;;;2.2;;0.34;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM447645;MM447645;CC=NNC(C)(C#N)CF;KBMMOUIQNSZTGH-UHFFFAOYSA-N;143.17;0.83;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nd_Na";;;;;;;0.87;;-1.88;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM447646;MM447646;N#CC=NOC1CC1C=O;SAGIXMGKQCSVRO-UHFFFAOYSA-N;138.13;0.1;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNa_Na";;;;;;;0.87;;-2.22;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM447647;MM447647;CCCCCOCC=NN;QHCNIBAUSLFCSU-UHFFFAOYSA-N;144.22;1.14;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1_P2";;;;;;;1.8;;0.4;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM447648;MM447648;C=C(C#N)C=NNCCC;BKMNOIQHTWTLSV-UHFFFAOYSA-N;137.19;1.05;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nd_N0";;;;;;;1.17;;-1.04;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM447649;MM447649;CCCCCOCC=NO;ODPDRYDSCSAILR-UHFFFAOYSA-N;145.2;1.65;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1_P2";;;;;;;1.8;;0.42;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM447650;MM447650;C=NN=CCC1OC1C#N;VROXJNNYNLEKLT-UHFFFAOYSA-N;137.14;0.35;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_SP1";;;;;;;0.81;;-0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM447651;MM447651;CNCCCOCC=NN;UJTFGZMZIWVSQI-UHFFFAOYSA-N;145.21;-0.44;;;;;DOPC;MDCG;27;1;"MARTINI bead: P2_Nd";;;;;;;-0.24;;-6.03;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM447652;MM447652;N=CN1CC1CC=CC=O;QRXBZMTXHRKLMV-UHFFFAOYSA-N;138.17;0.42;;;;;DOPC;MDCG;27;1;"MARTINI bead: SP2_Na";;;;;;;-0.24;;-6.4;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM447653;MM447653;CCCCCON=CNN;KCDRRJMDGBMGLM-UHFFFAOYSA-N;145.21;0.6;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1_P3";;;;;;;0.94;;0.04;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM447654;MM447654;N#CC=CCC1CN1C=N;GMBHZABLWPIGRL-UHFFFAOYSA-N;135.17;0.75;;;;;DOPC;MDCG;27;1;"MARTINI bead: SP2_N0";;;;;;;0.06;;-5.38;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM447655;MM447655;CCC1CCC(C)(O)C1C;HZIVHDHGGRPHKS-UHFFFAOYSA-N;142.24;2.19;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC1_SNda";;;;;;;2.91;;0.57;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM447656;MM447656;C=NN=CCC1CN1C=O;YDHFDIADDHFEMG-UHFFFAOYSA-N;139.16;-0.1;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_SP2";;;;;;;0.54;;-1.09;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM447657;MM447657;CN=CNOCCCCO;LNTWDUQHAIFKEX-UHFFFAOYSA-N;146.19;-0.06;;;;;DOPC;MDCG;27;1;"MARTINI bead: P2_Nda";;;;;;;-0.24;;-4.4;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM447658;MM447658;C=CC=CCC1CN1N=C;KDPBQLBWLVOCJN-UHFFFAOYSA-N;136.2;1.42;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1_SP2";;;;;;;1.8;;0.4;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM447659;MM447659;CNCCCON=CNN;VDDQHHZNFMOMIS-UHFFFAOYSA-N;146.19;-0.98;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_P3";;;;;;;-1.1;;-6.49;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM447660;MM447660;C=NN1CC1CC=CC#N;MQWPPVYXEQOOQY-UHFFFAOYSA-N;135.17;0.76;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP2_N0";;;;;;;0.06;;-2.21;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM447661;MM447661;CNCCCON=CNO;FBNJBDKPNKQUNU-UHFFFAOYSA-N;147.18;-0.47;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_P3";;;;;;;-1.1;;-6.49;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM447662;MM447662;C=CC1CN1CC=CC=O;SIOUWOFWWHDWPQ-UHFFFAOYSA-N;137.18;0.61;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP1_Na";;;;;;;0.04;;-2.54;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM447663;MM447663;CCNCCON=CNN;QKXDJYMWZBRSOA-UHFFFAOYSA-N;146.19;-0.98;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_P3";;;;;;;-1.1;;-5.5;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM447664;MM447664;C=CC1CN1CC=CC#N;YFQNZZBRNMOXOC-UHFFFAOYSA-N;134.18;0.94;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP1_N0";;;;;;;0.34;;-1.53;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM447665;MM447665;CCNCCON=CNO;YXDLDZMTJKTIHH-UHFFFAOYSA-N;147.18;-0.47;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_P3";;;;;;;-1.1;;-5.5;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM447666;MM447666;C=CC=CCN1CC1C#N;DNTOQIHOYZCOAV-UHFFFAOYSA-N;134.18;0.94;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nd_SP2";;;;;;;-0.24;;-3.16;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM447667;MM447667;FC=CCOCOCCF;PLOHDDOXDZZXOU-UHFFFAOYSA-N;152.14;1.43;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_Na";;;;;;;0.87;;-2.22;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM447668;MM447668;CCN=C(C=O)NC=CF;QCNGUNZWJVWOIE-UHFFFAOYSA-N;144.15;0.63;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_Nda";;;;;;;0.87;;-1.99;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM447669;MM447669;CCCOCOCC=NN;LUYNXSAGYDHHOR-UHFFFAOYSA-N;146.19;0.33;;;;;DOPC;MDCG;27;0;"MARTINI bead: C3_P3";;;;;;;0.6;;-0.8;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM447670;MM447670;C=CC1CN1CC=NN=C;HYKSSSDIJUSSHJ-UHFFFAOYSA-N;137.19;0.54;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP1_C5";;;;;;;0.81;;-0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM447671;MM447671;CCC1CCC(O)(CC)C1;UROSGGOZRBYBEV-UHFFFAOYSA-N;142.24;2.34;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC1_SC5";;;;;;;3.68;;0.46;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM447672;MM447672;C=CC1CN1N=CNC=O;DXEQOPAXTRQGIM-UHFFFAOYSA-N;139.16;-0.45;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP1_P3";;;;;;;-1.93;;-4.72;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM447673;MM447673;NN=CCOCOCCF;LVTQNNUAUBQVIM-UHFFFAOYSA-N;150.15;-0.11;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nd_P2";;;;;;;-0.24;;-3.16;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM447674;MM447674;CC1C(C)N1NC(=N)C#N;JJPMGZXPGJERDU-UHFFFAOYSA-N;138.17;0.08;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNd_P1";;;;;;;0.04;;-2.63;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM447675;MM447675;C#CC=CCC1CC1C=C;UENYIBUXBCSXPX-UHFFFAOYSA-N;132.21;2.39;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC4_C4";;;;;;;3.53;;0.53;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM447676;MM447676;COCOCOCC=NN;GOTMEBYQNFNOLO-UHFFFAOYSA-N;148.16;-0.47;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_Nd";;;;;;;-0.24;;-3.16;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM447677;MM447677;C#CC=CCC1CC1C=O;MKCQAEPFNKGVRR-UHFFFAOYSA-N;134.18;1.4;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNa_C4";;;;;;;2.2;;0.34;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM447678;MM447678;NCCOCON=CNO;JOICCVMUFUKRSN-UHFFFAOYSA-N;149.15;-1.14;;;;;DOPC;MDCG;27;1;"MARTINI bead: P2_P4";;;;;;;-2.29;;-7.92;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM447679;MM447679;C#CC=NOC1CC1C#N;ZFEBSPWFIYJDPH-UHFFFAOYSA-N;134.14;0.53;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_SN0";;;;;;;1.17;;-1.18;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM447680;MM447680;C=CC1(CC(=O)CC)CN1;KKAZMHZGHDQMPB-UHFFFAOYSA-N;139.2;0.88;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_SP1";;;;;;;0.04;;-2.54;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM447681;MM447681;CC=CCCNCCCN;GANDCDUMOQOLIT-UHFFFAOYSA-N;142.25;0.89;;;;;DOPC;MDCG;27;1;"MARTINI bead: C1_P3";;;;;;;0.94;;-2.73;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM447682;MM447682;C#CC=CCC1OC1C=C;AEVOSWPEFSIKTH-UHFFFAOYSA-N;134.18;1.52;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNa_C4";;;;;;;2.2;;0.34;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM447683;MM447683;FC=CCCNCCCF;SHRHKKMLJYYWGJ-UHFFFAOYSA-N;149.18;1.81;;;;;DOPC;MDCG;27;1;"MARTINI bead: C5_Nda";;;;;;;1.64;;-2.74;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM447684;MM447684;C#CC=CCC1OC1C#N;KQNHDIODNMTOHB-UHFFFAOYSA-N;133.15;0.86;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4_SP1";;;;;;;1.37;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM447685;MM447685;CCCCNCCC=NN;DEEKZTXZNZIZPS-UHFFFAOYSA-N;143.23;0.71;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_Nd";;;;;;;0.87;;-4.89;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM447686;MM447686;C#CC=CCC1CN1C=N;NYDPKZKZQCNAMZ-UHFFFAOYSA-N;134.18;0.86;;;;;DOPC;MDCG;27;1;"MARTINI bead: SP2_C4";;;;;;;1.09;;-3.51;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM447687;MM447687;C#CC=CCC1CN1C=O;YZCVWTXBOAHQDJ-UHFFFAOYSA-N;135.17;0.41;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP2_C4";;;;;;;1.09;;-0.38;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM447688;MM447688;CCCCNCCC=NO;VHEBWLLREAOESE-UHFFFAOYSA-N;144.22;1.23;;;;;DOPC;MDCG;27;1;"MARTINI bead: C5_P1";;;;;;;0.81;;-4.6;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM447689;MM447689;C#CC=CCC1CN1N=C;MPLWFJAVMUKSAI-UHFFFAOYSA-N;134.18;0.87;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP2_C4";;;;;;;1.09;;-0.38;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM447690;MM447690;NCCCNCCC=NO;ILPWWGJYTUBHDN-UHFFFAOYSA-N;145.21;-0.23;;;;;DOPC;MDCG;27;1;"MARTINI bead: P3_Nda";;;;;;;-1.1;;-7.62;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM447691;MM447691;C#CC=CCN1CC1C=C;OWKJQWJQHQKCTC-UHFFFAOYSA-N;133.19;1.05;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP1_C4";;;;;;;1.37;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM447692;MM447692;CC=CCCNCCNC;ZCVVNLJXIZNVET-UHFFFAOYSA-N;142.25;0.76;;;;;DOPC;MDCG;27;1;"MARTINI bead: P3_C1";;;;;;;0.94;;-2.26;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM447693;MM447693;C#CC1CC1CC=CCN;MFDMEKHLNBDMFE-UHFFFAOYSA-N;135.21;1.16;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_SC5";;;;;;;1.64;;-2.14;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM447694;MM447694;CC=CCCOCCCN;UNYCDCZIRGEYIQ-UHFFFAOYSA-N;143.23;1.32;;;;;DOPC;MDCG;27;1;"MARTINI bead: C1_P2";;;;;;;1.8;;-1.6;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM447695;MM447695;CC=CCCOCCCO;KKNAPGDZPFVZGM-UHFFFAOYSA-N;144.21;1.35;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1_P3";;;;;;;0.94;;0.03;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM447696;MM447696;C#CC1CC1CC=NOC;FSBSUVHGGNJCPK-UHFFFAOYSA-N;137.18;1.28;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_SC5";;;;;;;1.64;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM447697;MM447697;CCCCOCCC=NO;JBSUNRPMDPRBEQ-UHFFFAOYSA-N;145.2;1.65;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_Nda";;;;;;;0.87;;-1.99;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM447698;MM447698;C#CC1NC1CC=NOC;YUGWBRDBCDKMDM-UHFFFAOYSA-N;138.17;-0.02;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_SP3";;;;;;;-1.1;;-4.2;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM447699;MM447699;NCCCOCCC=NO;CZMYJPAGRQIDQI-UHFFFAOYSA-N;146.19;0.2;;;;;DOPC;MDCG;27;1;"MARTINI bead: P2_Nda";;;;;;;-0.24;;-6.71;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM447700;MM447700;C#CC1OC1CC=CCO;PVQMECLLPTXYMZ-UHFFFAOYSA-N;138.17;0.33;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda_SNa";;;;;;;0.87;;-1.99;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM447701;MM447701;CCC1CC1C(C)(O)CC;PISDDCZCEKZXOD-UHFFFAOYSA-N;142.24;2.19;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC3_Nda";;;;;;;2.57;;0.44;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM447702;MM447702;C#CC1OC1CC=COC;GOIZVZCCDJRDGA-UHFFFAOYSA-N;138.17;0.94;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_SNa";;;;;;;0.87;;-2.22;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM447703;MM447703;CCCCOCOC=CF;HRFHUGLIAWKBTG-UHFFFAOYSA-N;148.18;2.22;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4_Na";;;;;;;2.2;;0.34;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM447704;MM447704;C#CC1CC1CC=CC#N;YCJNXYWHHQWIRV-UHFFFAOYSA-N;131.18;1.73;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC5_N0";;;;;;;1.94;;0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM447705;MM447705;NCCCOCOC=NO;ABWWTVRHCUPWPG-UHFFFAOYSA-N;148.16;-0.26;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_P3";;;;;;;-1.1;;-6.84;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM447706;MM447706;C#CC1CC1CC=NN=C;FTMQAEZKXCDWPO-UHFFFAOYSA-N;134.18;1.33;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_SC5";;;;;;;2.41;;0.64;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM447707;MM447707;N#CC(=N)NOCOC=O;PQTOURXOMKGSEE-UHFFFAOYSA-N;143.1;-0.86;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_P2";;;;;;;-1.06;;-3.82;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM447708;MM447708;C#CC1CC1NC=CC#N;YJOIWHUWGLRMLW-UHFFFAOYSA-N;132.17;0.63;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC5_Nd";;;;;;;1.64;;0.02;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM447709;MM447709;OCCCOCOC=NO;ASIFHWGIRNHDKX-UHFFFAOYSA-N;149.15;-0.22;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda_P3";;;;;;;-1.1;;-3.97;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM447710;MM447710;C#CC1CC1OC=CC#N;YXCUPEXQMIHVGX-UHFFFAOYSA-N;133.15;1.06;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP1_N0";;;;;;;0.34;;-1.53;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM447711;MM447711;CNCCOCOC=NN;MOKMERLEUDZYJI-UHFFFAOYSA-N;147.18;-0.9;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_P3";;;;;;;-1.1;;-6.19;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM447712;MM447712;C#CC1NC1CC=CC#N;TWMIXAIWNNTEJS-UHFFFAOYSA-N;132.17;0.43;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP3_N0";;;;;;;-0.8;;-2.99;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM447713;MM447713;CNCCOCOC=NO;VWFYRWIXDBXEMM-UHFFFAOYSA-N;148.16;-0.39;;;;;DOPC;MDCG;27;1;"MARTINI bead: P2_P1";;;;;;;-1.06;;-6.76;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM447714;MM447714;C#CC1OC1CC=CC=C;CSNVRHINSUMIGI-UHFFFAOYSA-N;134.18;1.52;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4_SNa";;;;;;;2.2;;0.34;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM447715;MM447715;CC=NOCOCCCN;UAANBBCAGRQZSD-UHFFFAOYSA-N;146.19;0.33;;;;;DOPC;MDCG;27;1;"MARTINI bead: Na_P2";;;;;;;-0.24;;-5.95;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM447716;MM447716;C#CC1CN1CC=CC=C;CKUXIRITWJAZQW-UHFFFAOYSA-N;133.19;1.05;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4_SP1";;;;;;;1.37;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM447717;MM447717;CC=NOCOCCCF;LJLUSWZKGYOVQS-UHFFFAOYSA-N;149.17;1.34;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_C4";;;;;;;1.37;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM447718;MM447718;C#CC1CN1N=CNC=N;OWEWSRDDYNSJTM-UHFFFAOYSA-N;136.16;-0.56;;;;;DOPC;MDCG;27;1;"MARTINI bead: P4_SP3";;;;;;;-3.15;;-8.25;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM447719;MM447719;CCOCOCOC=CF;ZKNQTEIOIGWVMQ-UHFFFAOYSA-N;150.15;1.41;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_N0";;;;;;;0.34;;-1.53;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM447720;MM447720;C#CC=CCC1CC1C#C;JZMHVRJBNXCEKM-UHFFFAOYSA-N;130.19;1.84;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4_SC5";;;;;;;2.97;;0.45;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM447721;MM447721;C=CCCCCCC=CC;GQRCDUBMGNBKOX-UHFFFAOYSA-N;138.25;3.7;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1_C3";;;;;;;4.61;;0.31;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM447722;MM447722;CCC#CCC1CC1CC;UINNRJPBGJPWFM-UHFFFAOYSA-N;136.24;2.84;;;;;DOPC;MDCG;27;0;"MARTINI bead: C3_SC3";;;;;;;4.27;;0.2;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM447723;MM447723;CC=CCCCCCC=O;JLOBHNRDHVRXJP-UHFFFAOYSA-N;140.23;2.71;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1_C5";;;;;;;3.68;;0.46;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM447724;MM447724;CCC1CC1CC#CCN;MCBXDJZWQHOGGI-UHFFFAOYSA-N;137.23;1.38;;;;;DOPC;MDCG;27;1;"MARTINI bead: SC3_Nd";;;;;;;2.57;;-0.27;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM447725;MM447725;N=CNCCCCC=NO;NBQUFXHMAIIBHT-UHFFFAOYSA-N;143.19;0.81;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1_Nd";;;;;;;0.04;;-7.15;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM447726;MM447726;CCC1CC1CC#CCF;QCVKLUDKJXOAEI-UHFFFAOYSA-N;140.2;2.4;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC3_Na";;;;;;;2.57;;0.45;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM447727;MM447727;C=CNC=NN=C(C)CC;WKYSNMXRULPDMI-UHFFFAOYSA-N;139.2;1.53;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_P2";;;;;;;0.54;;-1.09;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM447728;MM447728;CCC#CCC1CC1CN;BQLSSTCTSJRWOP-UHFFFAOYSA-N;137.23;1.38;;;;;DOPC;MDCG;27;1;"MARTINI bead: C3_SNd";;;;;;;2.57;;-1.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM447729;MM447729;C=NNCCCCC=CC;NEHLXGVOSJCBCZ-UHFFFAOYSA-N;140.23;1.94;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1_P2";;;;;;;1.8;;0.41;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM447730;MM447730;NCC#CCC1CC1CN;LIYGXDFKOVNSNX-UHFFFAOYSA-N;138.21;-0.07;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_SNd";;;;;;;0.87;;-4.94;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM447731;MM447731;C=NNCCCCC=NN;CAUYQXLOPYEYEQ-UHFFFAOYSA-N;142.21;0.31;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_P2";;;;;;;0.54;;-1.09;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM447732;MM447732;CC(C)C(=O)C1CN1C=O;FQOYMXFNVRMPMN-UHFFFAOYSA-N;141.17;0.05;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_SP2";;;;;;;-0.24;;-3.24;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM447733;MM447733;C=COCCCCC=CC;FGTVHMDWJMWCOV-UHFFFAOYSA-N;140.23;2.89;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1_Na";;;;;;;2.91;;0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM447734;MM447734;CCC#CCC1CC1CF;WHZRSYGDJLFRRP-UHFFFAOYSA-N;140.2;2.4;;;;;DOPC;MDCG;27;0;"MARTINI bead: C3_SC5";;;;;;;3.34;;0.48;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM447735;MM447735;NN=CCCCCOC=O;NWXUIUBSZNXUCG-UHFFFAOYSA-N;144.17;0.27;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nd_Na";;;;;;;0.87;;-1.88;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM447736;MM447736;C=CCCCCNC=NC;WLIIEHHYWAXJCZ-UHFFFAOYSA-N;140.23;1.59;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1_C1";;;;;;;2.08;;-2.2;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM447737;MM447737;CCC#CCC1CC1NC;JOEOEHFRIRJWJJ-UHFFFAOYSA-N;137.23;1.4;;;;;DOPC;MDCG;27;1;"MARTINI bead: C3_SNd";;;;;;;2.57;;-1.48;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM447738;MM447738;CON=C(NN)C(F)CF;BGOWHHNLOMOULW-UHFFFAOYSA-N;153.13;-0.28;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_Na";;;;;;;0.04;;-2.54;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM447739;MM447739;CCC#CCC1CC1OC;HVGWVJCCCGYSNK-UHFFFAOYSA-N;138.21;1.82;;;;;DOPC;MDCG;27;0;"MARTINI bead: C3_SNa";;;;;;;2.57;;0.45;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM447740;MM447740;CC=NNCCCCC#N;OYRVKXRMXMVUSX-UHFFFAOYSA-N;139.2;1.28;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nd_N0";;;;;;;1.17;;-1.04;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM447741;MM447741;CCC1NC1CC#CCN;LBVAHXMYXYDGON-UHFFFAOYSA-N;138.21;0.09;;;;;DOPC;MDCG;27;1;"MARTINI bead: SNd_Nd";;;;;;;0.87;;-3.63;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM447742;MM447742;CC=NNCCCOC=O;WJNQUNONPUURRM-UHFFFAOYSA-N;144.17;0.14;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nd_Na";;;;;;;0.87;;-1.88;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM447743;MM447743;CCC#CCC1NC1CN;CKXGQECBWSCPTL-UHFFFAOYSA-N;138.21;0.09;;;;;DOPC;MDCG;27;1;"MARTINI bead: C3_SP2";;;;;;;1.46;;-1.97;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM447744;MM447744;NCC#CCC1NC1CN;DNTJWQKEJNDUBO-UHFFFAOYSA-N;139.2;-1.36;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_SP2";;;;;;;-0.24;;-5.23;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM447745;MM447745;C=NOCCCNN=CC;BOPSRGFENXONEN-UHFFFAOYSA-N;143.19;0.6;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nd_Na";;;;;;;0.87;;-1.88;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM447746;MM447746;CCC#CCC1OC1CC;YHYPLFGFXALDON-UHFFFAOYSA-N;138.21;1.97;;;;;DOPC;MDCG;27;0;"MARTINI bead: C3_SNa";;;;;;;2.57;;0.45;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM447747;MM447747;CC=COCCCCC=O;RHZVFUXYHIRMKU-UHFFFAOYSA-N;142.2;1.91;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_C5";;;;;;;2.41;;0.64;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM447748;MM447748;CCC1OC1CC#CCN;CJLNZIGFDABLNJ-UHFFFAOYSA-N;139.2;0.52;;;;;DOPC;MDCG;27;1;"MARTINI bead: SNa_Nd";;;;;;;0.87;;-3.38;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM447749;MM447749;CC=COCCCCC#N;WRDDHRMPQQDMFA-UHFFFAOYSA-N;139.2;2.23;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_N0";;;;;;;1.94;;0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM447750;MM447750;N=CNCCCOC=CF;UIJMMJYBDUTKFJ-UHFFFAOYSA-N;146.17;1.03;;;;;DOPC;MDCG;27;1;"MARTINI bead: Na_P1";;;;;;;0.04;;-6.97;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM447751;MM447751;CCC#CCC1OC1CN;HPOXASFJJJIJIW-UHFFFAOYSA-N;139.2;0.52;;;;;DOPC;MDCG;27;1;"MARTINI bead: C3_SP2";;;;;;;1.46;;-2.02;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM447752;MM447752;C#CCNC(C#CC)C=O;DGKWQPKVUPSHED-UHFFFAOYSA-N;135.17;-0.2;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_P2";;;;;;;0.54;;-1.09;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM447753;MM447753;CCC#CCC1CN1CC;QIFLCUIMTLBOLP-UHFFFAOYSA-N;137.23;1.49;;;;;DOPC;MDCG;27;0;"MARTINI bead: C3_SNd";;;;;;;2.57;;0.56;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM447754;MM447754;C=NNCCCON=CC;YXSFHSKQPMIMOM-UHFFFAOYSA-N;143.19;0.6;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_P2";;;;;;;0.54;;-1.09;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM447755;MM447755;CCC#CCN1CC1CC;SMZPAXCSBLNEGC-UHFFFAOYSA-N;137.23;1.49;;;;;DOPC;MDCG;27;0;"MARTINI bead: C3_SNd";;;;;;;2.57;;0.55;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM447756;MM447756;C=COCCCOC=NO;OZJIEUFPHOVGPM-UHFFFAOYSA-N;145.16;0.97;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_C5";;;;;;;0.54;;-1.09;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM447757;MM447757;CCC1CN1CC#CCN;ZRONZPYGRDZZTP-UHFFFAOYSA-N;138.21;0.04;;;;;DOPC;MDCG;27;1;"MARTINI bead: SNd_Nd";;;;;;;0.87;;-3.57;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM447758;MM447758;O=COCCCOC=NO;LUCAVBRBUVGVEH-UHFFFAOYSA-N;147.13;-0.02;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_Na";;;;;;;-0.24;;-3.24;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM447759;MM447759;CCC#CCN1CC1CN;BFWIHUSYFJABGC-UHFFFAOYSA-N;138.21;0.04;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_SP2";;;;;;;-0.24;;-5.1;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM447760;MM447760;CC=CCCCNCC=O;YBHRBRHJQDDHLE-UHFFFAOYSA-N;141.21;1.13;;;;;DOPC;MDCG;27;1;"MARTINI bead: C1_P2";;;;;;;1.8;;-0.24;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM447761;MM447761;C=CC#CCC1CC1CC;XEYGGLDKAIAMHZ-UHFFFAOYSA-N;134.22;2.61;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC3_C4";;;;;;;3.9;;0.47;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM447762;MM447762;CC=CCCCNCC#N;QUSNDJKTSNZREK-UHFFFAOYSA-N;138.21;1.46;;;;;DOPC;MDCG;27;0;"MARTINI bead: C2_P2";;;;;;;1.72;;0.29;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM447763;MM447763;CCC1CC1CC#CC=O;MRJRXUPJCNCCSY-UHFFFAOYSA-N;136.19;1.62;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC3_P1";;;;;;;1.74;;0.29;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM447764;MM447764;N#CCNCCCC=CF;FEEZWLJGMAJROO-UHFFFAOYSA-N;142.18;1.36;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4_P2";;;;;;;1.09;;-0.37;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM447765;MM447765;CCC1CC1CC#CC#N;DNPOQODKBBLTFC-UHFFFAOYSA-N;133.19;1.95;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC3_N0";;;;;;;2.87;;0.37;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM447766;MM447766;C=CCNCCCC=NN;FEGCAUNWWRRBGP-UHFFFAOYSA-N;141.22;0.49;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_Nd";;;;;;;0.87;;-4.68;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM447767;MM447767;C=CC#CCC1CC1CN;DGSQPQJKUILRNX-UHFFFAOYSA-N;135.21;1.16;;;;;DOPC;MDCG;27;1;"MARTINI bead: SNd_C4";;;;;;;2.2;;-2.22;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM447768;MM447768;C=NNC(C#N)C=CC#N;WXGISRXZLRXSLW-UHFFFAOYSA-N;134.14;0.16;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_N0";;;;;;;0.34;;-1.53;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM447769;MM447769;CNN(C=N)C(=O)C=CN;GNGHZNSPFZTHSA-UHFFFAOYSA-N;142.16;-0.97;;;;;DOPC;MDCG;27;0;"MARTINI bead: P5_P1";;;;;;;-1.94;;-5.95;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM447770;MM447770;CC=CCCCNNC=N;YGSAKSOXSYTKOE-UHFFFAOYSA-N;141.22;1.04;;;;;DOPC;MDCG;27;1;"MARTINI bead: C2_P3";;;;;;;0.86;;-3.12;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM447771;MM447771;N#CC#CCC1CC1CF;AZAJOIOIYUMKQU-UHFFFAOYSA-N;137.16;1.51;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC5_N0";;;;;;;1.94;;0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM447772;MM447772;N=CNNCCCC=CF;WTTGCXAKOKSDAS-UHFFFAOYSA-N;145.18;0.95;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nda_P2";;;;;;;-0.24;;-6.31;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM447773;MM447773;C=CC#CCC1CC1NC;ZLOXKKPFTXAPEN-UHFFFAOYSA-N;135.21;1.17;;;;;DOPC;MDCG;27;1;"MARTINI bead: SNd_C4";;;;;;;2.2;;-2.16;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM447774;MM447774;C=CC(=NC=CF)NN=C;AVEXINCVGSIGII-UHFFFAOYSA-N;141.15;1.22;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_Nd";;;;;;;1.64;;0.02;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM447775;MM447775;C=CCNCCNC=NC;CLVWGWXJGJKOIQ-UHFFFAOYSA-N;141.22;0.01;;;;;DOPC;MDCG;27;1;"MARTINI bead: P2_Nd";;;;;;;-0.24;;-6.68;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM447776;MM447776;CNC1CC1CC#CC#N;FFWKKUMZJNAFPU-UHFFFAOYSA-N;134.18;0.51;;;;;DOPC;MDCG;27;1;"MARTINI bead: SNd_N0";;;;;;;1.17;;-3.71;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM447777;MM447777;C=CC#CCC1CC1OC;SAXGLEDBLMBBKP-UHFFFAOYSA-N;136.19;1.6;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNa_C4";;;;;;;2.2;;0.34;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM447778;MM447778;C=CCNCCNN=CC;DAABTCASSKOKOF-UHFFFAOYSA-N;141.22;0.36;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_Nd";;;;;;;0.87;;-3.19;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM447779;MM447779;COC1CC1CC#CC#N;BETFCYNKKZODFC-UHFFFAOYSA-N;135.17;0.94;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNa_N0";;;;;;;1.17;;-1.18;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM447780;MM447780;CC=NNCCNNC=N;OZLSLKVYDAQSDF-UHFFFAOYSA-N;143.19;-0.72;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_P4";;;;;;;-1.19;;-7.67;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM447781;MM447781;C=CC#CCC1NC1CN;ABHPGVKSVSNYQT-UHFFFAOYSA-N;136.2;-0.14;;;;;DOPC;MDCG;27;1;"MARTINI bead: SP2_C4";;;;;;;1.09;;-2.28;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM447782;MM447782;CNc1oc(=N)n(N)c1F;XUFLIFCHHOOVGR-UHFFFAOYSA-N;146.13;-0.54;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNd_SP2";;;;;;;-0.24;;-3.16;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM447783;MM447783;C=CC#CCC1OC1CC;BHJAPMZWRZYNSO-UHFFFAOYSA-N;136.19;1.74;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNa_C4";;;;;;;2.2;;0.34;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM447784;MM447784;CC=COCCNCC#N;NUOUUOYBJINBCE-UHFFFAOYSA-N;140.19;0.65;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_P2";;;;;;;0.54;;-1.09;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM447785;MM447785;CCC1OC1CC#CC#N;LOXIQNGGJQPIKN-UHFFFAOYSA-N;135.17;1.08;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNa_N0";;;;;;;1.17;;-1.18;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM447786;MM447786;N#CCNCCOC=NO;TZAIXFWXMUKUJP-UHFFFAOYSA-N;143.15;-0.47;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda_P3";;;;;;;-1.1;;-3.97;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM447787;MM447787;C=CC#CCC1OC1CN;VWFHEOSIRVKWJK-UHFFFAOYSA-N;137.18;0.29;;;;;DOPC;MDCG;27;1;"MARTINI bead: SP2_C4";;;;;;;1.09;;-2.33;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM447788;MM447788;CC=NOCCNCC#N;ZAGMCLNBVIMTLS-UHFFFAOYSA-N;141.17;0.12;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_P2";;;;;;;-0.24;;-3.24;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM447789;MM447789;C=CC#CCN1CC1CC;QOGFDTMEHRYGQY-UHFFFAOYSA-N;135.21;1.27;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNd_C4";;;;;;;2.2;;0.33;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM447790;MM447790;CC=COCCNNC=N;TXYNRJAUOOVOKR-UHFFFAOYSA-N;143.19;0.24;;;;;DOPC;MDCG;27;1;"MARTINI bead: C5_P4";;;;;;;-0.41;;-5.59;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM447791;MM447791;CCC1CN1CC#CC#N;HCDNOGAYAODDKU-UHFFFAOYSA-N;134.18;0.61;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNd_N0";;;;;;;1.17;;-1.04;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM447792;MM447792;N=CNNCCOC=NO;UZGDVZBFAVGWEG-UHFFFAOYSA-N;146.15;-0.88;;;;;DOPC;MDCG;27;1;"MARTINI bead: P2_P4";;;;;;;-2.29;;-8.83;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM447793;MM447793;C=CC#CCN1CC1CN;BVHBQYQLHCXOJN-UHFFFAOYSA-N;136.2;-0.18;;;;;DOPC;MDCG;27;1;"MARTINI bead: SP2_C4";;;;;;;1.09;;-2.28;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM447794;MM447794;C=CCOCCCC=CC;HNRDAUSMZVQEIF-UHFFFAOYSA-N;140.23;2.55;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1_Na";;;;;;;2.91;;0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM447795;MM447795;CC=C(C#N)C(C)=NNC;FZYMWLPUOCOVCX-UHFFFAOYSA-N;137.19;1.05;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nd_N0";;;;;;;1.17;;-1.04;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM447796;MM447796;C=CCOCCCC=NN;QMZHORDGFLHZKP-UHFFFAOYSA-N;142.2;0.91;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nd_C5";;;;;;;1.64;;0.02;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM447797;MM447797;N#CCOCCCC=NO;HZSPYYQVIJHZBU-UHFFFAOYSA-N;142.16;0.77;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_Na";;;;;;;0.04;;-2.54;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM447798;MM447798;C#CC#CCC1CC1CC;OCABEDBKBOXZBS-UHFFFAOYSA-N;132.21;2.06;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC3_C4";;;;;;;3.9;;0.47;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM447799;MM447799;C#CC#CCC1CC1CN;BXBIDGGJCULWTO-UHFFFAOYSA-N;133.19;0.61;;;;;DOPC;MDCG;27;1;"MARTINI bead: SNd_C4";;;;;;;2.2;;-2.22;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM447800;MM447800;CC=CCCCONC=N;AYVOWZYFOPLMIN-UHFFFAOYSA-N;142.2;1.47;;;;;DOPC;MDCG;27;1;"MARTINI bead: C1_P3";;;;;;;0.94;;-1.59;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM447801;MM447801;C=C1CC(C)=NN=C1CC;NEMDDYFTXYBIGH-UHFFFAOYSA-N;136.2;2.17;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC5_SN0";;;;;;;1.94;;0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM447802;MM447802;N=CNOCCCC=CF;BLVCNRJSPSKSIM-UHFFFAOYSA-N;146.17;1.38;;;;;DOPC;MDCG;27;1;"MARTINI bead: C3_P3";;;;;;;0.6;;-2.56;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM447803;MM447803;CC=CCCCONC=O;GVDBQOOLNIAJPR-UHFFFAOYSA-N;143.19;1.02;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1_P2";;;;;;;1.8;;0.41;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM447804;MM447804;C#CC#CCC1CC1CF;FRRBULUJMYEIKW-UHFFFAOYSA-N;136.17;1.62;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC5_C4";;;;;;;2.97;;0.45;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM447805;MM447805;C#CC#CCC1CC1NC;LHANHIHBGKVGCX-UHFFFAOYSA-N;133.19;0.62;;;;;DOPC;MDCG;27;1;"MARTINI bead: SNd_C4";;;;;;;2.2;;-2.12;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM447806;MM447806;N=CNOCCCC=NN;YNWJEUHRJLRNLS-UHFFFAOYSA-N;144.18;-0.16;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_P2";;;;;;;-0.24;;-4.96;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM447807;MM447807;C#CC#CCC1CC1OC;AWDHINYOMOIUBL-UHFFFAOYSA-N;134.18;1.05;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNa_C4";;;;;;;2.2;;0.34;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM447808;MM447808;CC=NNCCONC=O;DPKVMIJXBCPORG-UHFFFAOYSA-N;145.16;-0.74;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nd_P2";;;;;;;-0.24;;-3.16;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM447809;MM447809;C#CC#CCC1NC1CN;PDGNLQGTYKRDNE-UHFFFAOYSA-N;134.18;-0.69;;;;;DOPC;MDCG;27;1;"MARTINI bead: SP2_C4";;;;;;;1.09;;-2.28;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM447810;MM447810;C=CCOCCOC=CC;GJLWKWXJKVRVDI-UHFFFAOYSA-N;142.2;1.74;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_C5";;;;;;;1.64;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM447811;MM447811;C#CC#CCC1NC1CF;DLUBSKUTSWBLQD-UHFFFAOYSA-N;137.16;0.32;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP1_C4";;;;;;;1.37;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM447812;MM447812;CC=COCCOCC#N;VGZJYRFWTBZOOL-UHFFFAOYSA-N;141.17;1.08;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_Na";;;;;;;0.87;;-2.22;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM447813;MM447813;C#CC#CCC1OC1CC;LAUGGKQBYBPQGW-UHFFFAOYSA-N;134.18;1.19;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNa_C4";;;;;;;2.2;;0.34;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM447814;MM447814;N#CCOCCOC=CF;KGVNMTGIODDPGV-UHFFFAOYSA-N;145.13;0.98;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_Na";;;;;;;0.87;;-2.22;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM447815;MM447815;C#CC#CCC1OC1CN;WYBDISDYIAURNE-UHFFFAOYSA-N;135.17;-0.26;;;;;DOPC;MDCG;27;1;"MARTINI bead: SP2_C4";;;;;;;1.09;;-2.33;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM447816;MM447816;O=CCOCCOC=NO;ZJBSCEQLPQHDCB-UHFFFAOYSA-N;147.13;-0.36;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_P1";;;;;;;-1.06;;-3.82;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM447817;MM447817;C#CC#CCC1OC1CO;XIVBRHFSBLBZLZ-UHFFFAOYSA-N;136.15;-0.23;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP2_C4";;;;;;;1.09;;-0.38;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM447818;MM447818;N=CNOCCOC=CF;JETGXVAQMKXMOC-UHFFFAOYSA-N;148.14;0.57;;;;;DOPC;MDCG;27;1;"MARTINI bead: Na_P2";;;;;;;-0.24;;-5.02;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM447819;MM447819;C#CC#CCC1CN1CC;TVHUGQLTYNCSOG-UHFFFAOYSA-N;133.19;0.72;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNd_C4";;;;;;;2.2;;0.33;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM447820;MM447820;C#CC#CCN1CC1CC;HLNRZVHAQHIXGC-UHFFFAOYSA-N;133.19;0.72;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNd_C4";;;;;;;2.2;;0.32;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM447821;MM447821;CC=COCCONC=O;SKOPEPCQTDBPLJ-UHFFFAOYSA-N;145.16;0.21;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_P2";;;;;;;0.54;;-1.09;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM447822;MM447822;N=CNOCCOC=NN;KMAAVJOBKPLZPC-UHFFFAOYSA-N;146.15;-0.97;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nda_P4";;;;;;;-1.19;;-6.61;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM447823;MM447823;C#CC#CCN1CC1CN;ZIDXAJJDANXDDD-UHFFFAOYSA-N;134.18;-0.73;;;;;DOPC;MDCG;27;1;"MARTINI bead: SP2_Nd";;;;;;;-0.24;;-5.1;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM447824;MM447824;N=CNOCCOC=NO;CJRWHKJELDUASI-UHFFFAOYSA-N;147.13;-0.45;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nda_P4";;;;;;;-1.19;;-6.56;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM447825;MM447825;CC#CCNN=CCC#N;DIQAVLLODQZLSF-UHFFFAOYSA-N;135.17;0.5;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4_P1";;;;;;;1.37;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM447826;MM447826;CC=NOCCONC=O;OGHOQORAAGVDOS-UHFFFAOYSA-N;146.15;-0.31;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_P2";;;;;;;-0.24;;-3.24;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM447827;MM447827;C=CC1CC1CC#CCC;VWAKNHMVFMSXDU-UHFFFAOYSA-N;134.22;2.61;;;;;DOPC;MDCG;27;0;"MARTINI bead: C3_SC4";;;;;;;3.9;;0.47;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM447828;MM447828;C=CCCCNCC=CC;GYVRVKJIJUBCLI-UHFFFAOYSA-N;139.24;2.12;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_C1";;;;;;;2.91;;-0.34;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM447829;MM447829;C=CC1CC1CC#CCN;LIQAEEKPMWBRRI-UHFFFAOYSA-N;135.21;1.16;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_SC4";;;;;;;2.2;;-0.94;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM447830;MM447830;C=CCCCNCC=CF;HRDTUQGOOBZXGF-UHFFFAOYSA-N;143.21;2.03;;;;;DOPC;MDCG;27;1;"MARTINI bead: C4_Nd";;;;;;;2.2;;-1.53;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM447831;MM447831;CCC#CCC1CC1C=O;SEWOYRJITJVQBR-UHFFFAOYSA-N;136.19;1.62;;;;;DOPC;MDCG;27;0;"MARTINI bead: C3_SNa";;;;;;;2.57;;0.45;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM447832;MM447832;C=CCCCNCC=NO;YFYYEBNKUSLPHN-UHFFFAOYSA-N;142.2;1;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1_C5";;;;;;;0.81;;-1.76;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM447833;MM447833;CCC#CCC1CC1C#N;QUGKPXDTAOVFRG-UHFFFAOYSA-N;133.19;1.95;;;;;DOPC;MDCG;27;0;"MARTINI bead: C3_SN0";;;;;;;2.87;;0.37;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM447834;MM447834;N=CNCCNCC=NO;BMVHCQVHAMSGTN-UHFFFAOYSA-N;144.18;-0.77;;;;;DOPC;MDCG;27;1;"MARTINI bead: P3_P2";;;;;;;-2.2;;-9.03;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM447835;MM447835;C=CC1NC1CC#CCN;KRTXHFULAQOXST-UHFFFAOYSA-N;136.2;-0.14;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_SP1";;;;;;;0.04;;-4.13;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM447836;MM447836;CNc1oc(C)c(F)c1N;LPNCDBSNPXQIQA-UHFFFAOYSA-N;144.15;1.35;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNd_SNda";;;;;;;0.87;;-1.92;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM447837;MM447837;CC1=NC(=O)C=C1N;HIBSDAKEJGSOAA-UHFFFAOYSA-N;110.12;-0.17;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP1_SNa";;;;;;;0.04;;-2.54;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM447838;MM447838;CC=CCOCCCC=O;HOLYKKPSENZXAX-UHFFFAOYSA-N;142.2;1.56;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4_Na";;;;;;;2.2;;0.34;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM447839;MM447839;CCC#CCC1NC1C#N;RSZQNQXKWKENQL-UHFFFAOYSA-N;134.18;0.65;;;;;DOPC;MDCG;27;0;"MARTINI bead: C3_SP2";;;;;;;1.46;;-0.15;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM447840;MM447840;CC=CCOCCNC=N;MKJNCNHEZJIKAL-UHFFFAOYSA-N;142.2;0.78;;;;;DOPC;MDCG;27;1;"MARTINI bead: C4_P3";;;;;;;0.23;;-4.84;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM447841;MM447841;C=CC1OC1CC#CCC;DMZQJMNDKCPLKK-UHFFFAOYSA-N;136.19;1.74;;;;;DOPC;MDCG;27;0;"MARTINI bead: C3_SNa";;;;;;;2.57;;0.45;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM447842;MM447842;C=NNCCOCC=NN;JGMYIWZYSXPIRP-UHFFFAOYSA-N;144.18;-0.85;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_Nd";;;;;;;-0.24;;-3.16;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM447843;MM447843;C=CC1OC1CC#CCO;YCSVSCUUZLEQJX-UHFFFAOYSA-N;138.17;0.33;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_SNa";;;;;;;-0.24;;-3.24;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM447844;MM447844;C=NOCCOCC=CF;VAHZPUIEPASAQA-UHFFFAOYSA-N;147.15;1.12;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_Na";;;;;;;0.87;;-2.22;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM447845;MM447845;C=CC1OC1CC#CCF;CJTZNXRXDQPIIG-UHFFFAOYSA-N;140.16;1.3;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_SNa";;;;;;;0.87;;-2.22;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM447846;MM447846;C#CCN1C=NC(=O)CC1;NAFCAIGIKMREJV-UHFFFAOYSA-N;136.15;-0.12;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP2_SNd";;;;;;;-0.24;;-3.16;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM447847;MM447847;CCC#CCC1OC1C=O;RORUZPMAMLGHMY-UHFFFAOYSA-N;138.17;0.76;;;;;DOPC;MDCG;27;0;"MARTINI bead: C3_SP2";;;;;;;1.46;;-0.15;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM447848;MM447848;CCC#CCC1OC1C#N;YRKBEQFISIYFIT-UHFFFAOYSA-N;135.17;1.08;;;;;DOPC;MDCG;27;0;"MARTINI bead: C3_SP1";;;;;;;1.74;;0.29;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM447849;MM447849;CN=CNOCCOC=O;YELVGVZXBWEYEH-UHFFFAOYSA-N;146.15;-0.66;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1_P1";;;;;;;-0.79;;-4.2;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM447850;MM447850;CC=CCOCONC=N;VVCVPFXWVXOTRJ-UHFFFAOYSA-N;144.17;0.66;;;;;DOPC;MDCG;27;1;"MARTINI bead: C4_P4";;;;;;;0.15;;-3.69;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM447851;MM447851;CCC#CCC1CN1C=N;XESASQCQZLHDRV-UHFFFAOYSA-N;136.2;1.08;;;;;DOPC;MDCG;27;1;"MARTINI bead: C3_SP2";;;;;;;1.46;;-3;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM447852;MM447852;N=CN1CC1CC#CCN;SGQXRCONQOEGEN-UHFFFAOYSA-N;137.19;-0.37;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_SP2";;;;;;;-0.24;;-6.16;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM447853;MM447853;CC=CCOCONC=O;GNCCXUASUGMTPM-UHFFFAOYSA-N;145.16;0.21;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4_P4";;;;;;;0.15;;-2.18;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM447854;MM447854;N=CN1CC1CC#CCO;LHOZSXOQAAYABQ-UHFFFAOYSA-N;138.17;-0.34;;;;;DOPC;MDCG;27;1;"MARTINI bead: P2_SP1";;;;;;;-1.06;;-6.8;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM447855;MM447855;N=CNOCOCC=NN;XUWGWUKRDCDNKZ-UHFFFAOYSA-N;146.15;-0.97;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_P4";;;;;;;-1.19;;-6.42;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM447856;MM447856;CCC#CCC1CN1C=O;RVUGGAHONNFPCZ-UHFFFAOYSA-N;137.18;0.63;;;;;DOPC;MDCG;27;0;"MARTINI bead: C3_SP2";;;;;;;1.46;;-0.15;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM447857;MM447857;NN=CCOCONC=O;IODOLSUTEVHCPR-UHFFFAOYSA-N;147.13;-1.42;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_P4";;;;;;;-2.01;;-5.13;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM447858;MM447858;NCC#CCC1CN1C=O;WJRWISPORBAUGH-UHFFFAOYSA-N;138.17;-0.82;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_SP2";;;;;;;-0.24;;-4.65;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM447859;MM447859;N#CCOCONC=NO;HUFNJBSCYDQEDV-UHFFFAOYSA-N;145.12;-0.58;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_P2";;;;;;;-1.06;;-3.82;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM447860;MM447860;C=NN1CC1CC#CCC;FHDUEDBMEDHGDT-UHFFFAOYSA-N;136.2;1.09;;;;;DOPC;MDCG;27;0;"MARTINI bead: C3_SP2";;;;;;;1.46;;-0.15;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM447861;MM447861;C=CCCNCCC=CC;CXCIAPMWWGNOQM-UHFFFAOYSA-N;139.24;2.12;;;;;DOPC;MDCG;27;1;"MARTINI bead: C1_Nd";;;;;;;2.91;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM447862;MM447862;C=NN1CC1CC#CCN;HUBIRHXHFVAHAM-UHFFFAOYSA-N;137.19;-0.36;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_SP2";;;;;;;-0.24;;-4.65;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM447863;MM447863;C=CCCNCCC=CF;CVOHTVJVWXOMQM-UHFFFAOYSA-N;143.21;2.03;;;;;DOPC;MDCG;27;1;"MARTINI bead: C4_Nd";;;;;;;2.2;;-2.58;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM447864;MM447864;C=CC1CN1CC#CCC;MCRMOQYJDSNDBW-UHFFFAOYSA-N;135.21;1.27;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nd_SP1";;;;;;;0.04;;-2.63;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM447865;MM447865;CC=CCCNCCC=O;VIYDZCGJYJGBMB-UHFFFAOYSA-N;141.21;1.13;;;;;DOPC;MDCG;27;1;"MARTINI bead: C1_P3";;;;;;;0.94;;-2.28;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM447866;MM447866;CCC#CCN1CC1C#N;ZIXKGEMPFIRGHJ-UHFFFAOYSA-N;134.18;0.61;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nd_SP2";;;;;;;-0.24;;-3.16;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM447867;MM447867;C=CCCNCCC=NN;LCUOMZCPWKYRFI-UHFFFAOYSA-N;141.22;0.49;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_Nd";;;;;;;0.87;;-4.8;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM447868;MM447868;C=CC#CCC1CC1C=C;QWVXIBGOJRJBSD-UHFFFAOYSA-N;132.21;2.39;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4_SC4";;;;;;;3.53;;0.53;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM447869;MM447869;C=CCCOCCC=CC;ABOMKKDHRIOSIB-UHFFFAOYSA-N;140.23;2.55;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1_Na";;;;;;;2.91;;0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM447870;MM447870;C=CC1CC1CC#CC#N;BMRBIMVQJRWIBT-UHFFFAOYSA-N;131.18;1.73;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC4_N0";;;;;;;2.5;;0.44;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM447871;MM447871;C=COCOCCC=CF;OELIOALMFDWFPA-UHFFFAOYSA-N;146.16;1.99;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4_Na";;;;;;;2.2;;0.34;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM447872;MM447872;C=CC#CCC1CC1C#N;MLXHZLUCEZPNTD-UHFFFAOYSA-N;131.18;1.73;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4_SN0";;;;;;;2.5;;0.44;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM447873;MM447873;O=COCOCCC=NO;HKRXRZSELZQBRR-UHFFFAOYSA-N;147.13;-0.02;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_P1";;;;;;;-0.79;;-3.13;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM447874;MM447874;N#CC1CC1CC#CC=O;YRFMXLOBIGKIPR-UHFFFAOYSA-N;133.15;0.74;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_SN0";;;;;;;0.34;;-1.53;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM447875;MM447875;N#CCCOCOC=CF;XESAVDHUPRVOPW-UHFFFAOYSA-N;145.13;1.33;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_P2";;;;;;;0.54;;-1.09;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM447876;MM447876;N#CC#CCC1CC1C#N;WLWACFSATTVASN-UHFFFAOYSA-N;130.15;1.06;;;;;DOPC;MDCG;27;0;"MARTINI bead: N0_SN0";;;;;;;1.47;;-0.05;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM447877;MM447877;C#CC1=NNC(C#N)C1C;OGHHVKVDFXUFDU-UHFFFAOYSA-N;133.15;0.11;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP1_SP1";;;;;;;-0.79;;-3.13;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM447878;MM447878;C=CC1NC1CC#CC#N;AMQSXYWTIKPUCL-UHFFFAOYSA-N;132.17;0.43;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP1_N0";;;;;;;0.34;;-1.53;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM447879;MM447879;C=CCCOCON=CC;LOXWJTAQNFVILM-UHFFFAOYSA-N;143.19;1.56;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_Na";;;;;;;0.87;;-2.22;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM447880;MM447880;N#CC#CCC1NC1C#N;TYLLVXWQKCUUPR-UHFFFAOYSA-N;131.14;-0.23;;;;;DOPC;MDCG;27;0;"MARTINI bead: N0_SP2";;;;;;;0.06;;-2.21;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM447881;MM447881;C=COCOCOC=CC;VGRKYZQOVIEQSJ-UHFFFAOYSA-N;144.17;1.63;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_P1";;;;;;;0.81;;-0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM447882;MM447882;C=CC#CCC1OC1C=C;JTEYJACULMLCSI-UHFFFAOYSA-N;134.18;1.52;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4_SNa";;;;;;;2.2;;0.34;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM447883;MM447883;CCc1nnc(NC)n1N;JHJTXTBMQPHDKP-UHFFFAOYSA-N;141.18;-0.4;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP1_SP1";;;;;;;-0.79;;-3.13;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM447884;MM447884;C=CC1OC1CC#CC#N;GGDCOMZFCNIDID-UHFFFAOYSA-N;133.15;0.86;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNa_N0";;;;;;;1.17;;-1.18;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM447885;MM447885;C#CCCCCCC=CC;UHPIJVNWTQQRAG-UHFFFAOYSA-N;136.24;3.15;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1_C3";;;;;;;4.61;;0.31;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM447886;MM447886;C=CC#CCC1OC1C=O;FUSRYWJSGDSZBG-UHFFFAOYSA-N;136.15;0.53;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4_SP2";;;;;;;1.09;;-0.38;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM447887;MM447887;C#CCCCCCC=CF;WJVUYKVCMJKSBR-UHFFFAOYSA-N;140.2;3.05;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4_C1";;;;;;;4.24;;0.42;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM447888;MM447888;C=CC#CCC1OC1C#N;TYKJQJYXECEKJA-UHFFFAOYSA-N;133.15;0.86;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4_SP1";;;;;;;1.37;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM447889;MM447889;C#CCCCCNC=NC;WPBFVDVGZKGNLN-UHFFFAOYSA-N;138.21;1.04;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1_C3";;;;;;;1.74;;-3.13;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM447890;MM447890;N#CC1OC1CC#CC=O;PANQEHBVBKVWMO-UHFFFAOYSA-N;135.12;-0.13;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_SNa";;;;;;;0.04;;-2.54;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM447891;MM447891;C#CCCCCNC=NN;MMOODRWLARXJTE-UHFFFAOYSA-N;139.2;0.28;;;;;DOPC;MDCG;27;1;"MARTINI bead: P3_C3";;;;;;;0.6;;-2.3;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM447892;MM447892;C=CC#CCC1CN1C=N;NPRDDPFXUDKVRU-UHFFFAOYSA-N;134.18;0.86;;;;;DOPC;MDCG;27;1;"MARTINI bead: C4_SP2";;;;;;;1.09;;-3.32;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM447893;MM447893;C#CCCCCNN=CC;INYGJUBAJDIFNC-UHFFFAOYSA-N;138.21;1.39;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nd_C5";;;;;;;1.64;;0.02;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM447894;MM447894;N#CC#CCC1CN1C=N;WQSDBUYWJAQMQN-UHFFFAOYSA-N;133.15;0.19;;;;;DOPC;MDCG;27;1;"MARTINI bead: SP2_N0";;;;;;;0.06;;-5.19;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM447895;MM447895;C#CCCCCOC=CC;CCEDZSLULUVQCU-UHFFFAOYSA-N;138.21;2.34;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_C3";;;;;;;3.34;;0.48;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM447896;MM447896;C=CC#CCC1CN1C=O;DIIBLKKUKNSESV-UHFFFAOYSA-N;135.17;0.41;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4_SP2";;;;;;;1.09;;-0.38;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM447897;MM447897;C#CCNCCCC=CC;FEMNIXXABYXMHS-UHFFFAOYSA-N;137.23;1.57;;;;;DOPC;MDCG;27;1;"MARTINI bead: C1_P2";;;;;;;1.8;;-0.91;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM447898;MM447898;O=CC#CCC1CN1C=O;WQZSCVIOGLMECE-UHFFFAOYSA-N;137.14;-0.58;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_SP2";;;;;;;0.54;;-1.09;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM447899;MM447899;C#CCNCCCC=NO;BWELEXVCSCTFSE-UHFFFAOYSA-N;140.19;0.45;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nda_P2";;;;;;;-0.24;;-5.26;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM447900;MM447900;N#CC#CCC1CN1C=O;UKJGCTKCKLYWBU-UHFFFAOYSA-N;134.14;-0.26;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP2_N0";;;;;;;0.06;;-2.21;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM447901;MM447901;C#CCNCCOC=CC;HXBODZHJKWMSQJ-UHFFFAOYSA-N;139.2;0.76;;;;;DOPC;MDCG;27;1;"MARTINI bead: Na_Nd";;;;;;;0.87;;-3.04;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM447902;MM447902;C=CC#CCC1CN1N=C;ACYGVMYRZPHFPS-UHFFFAOYSA-N;134.18;0.87;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4_SP2";;;;;;;1.09;;-0.38;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM447903;MM447903;C#CCNCCOC=CF;HJHGCXQBYFLNKX-UHFFFAOYSA-N;143.16;0.67;;;;;DOPC;MDCG;27;1;"MARTINI bead: C5_P2";;;;;;;0.54;;-2.24;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM447904;MM447904;CC1=C(N)C=NC1=O;VMZSFYJQCUNJRH-UHFFFAOYSA-N;110.12;-0.17;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP1_SNa";;;;;;;0.04;;-2.54;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM447905;MM447905;C#CCOCCCC=CC;QHAMTXDVQQYZDV-UHFFFAOYSA-N;138.21;1.99;;;;;DOPC;MDCG;27;0;"MARTINI bead: C2_Na";;;;;;;2.83;;0.35;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM447906;MM447906;C=CC1CN1CC#CC=O;AGXHVRPZXKFETD-UHFFFAOYSA-N;135.17;0.06;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNd_P1";;;;;;;0.04;;-2.63;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM447907;MM447907;C#CCOCCCC=CF;AHRBDELDFMSASX-UHFFFAOYSA-N;142.17;1.9;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4_Na";;;;;;;2.2;;0.34;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM447908;MM447908;C=CC1CN1CC#CC#N;LLVJTIXCPQRLEH-UHFFFAOYSA-N;132.17;0.38;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP1_N0";;;;;;;0.34;;-1.53;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM447909;MM447909;C#CCOCCCC=NN;RTRVKLTZJYFMIA-UHFFFAOYSA-N;140.19;0.36;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nd_Na";;;;;;;0.87;;-1.88;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM447910;MM447910;C=CC#CCN1CC1C#N;XLDFVHUAQCOCJE-UHFFFAOYSA-N;132.17;0.38;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nd_SP2";;;;;;;-0.24;;-3.16;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM447911;MM447911;C#CCOCCON=CC;RASCGCRFCOEJNC-UHFFFAOYSA-N;141.17;0.66;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_Na";;;;;;;0.87;;-2.22;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM447912;MM447912;C#CC#CCC1CC1C=C;UOUSSHNXYKIDOF-UHFFFAOYSA-N;130.19;1.84;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC4_C4";;;;;;;3.53;;0.53;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM447913;MM447913;C#CCCCNCC=CC;AMTAWHACFVGEGZ-UHFFFAOYSA-N;137.23;1.57;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_C3";;;;;;;2.57;;-1.22;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM447914;MM447914;C#CC#CCC1CC1C#N;XMCPAJJVOFWPBB-UHFFFAOYSA-N;129.16;1.17;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4_SN0";;;;;;;2.5;;0.44;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM447915;MM447915;C#CCCCOCC=CC;RZAJVDCRNHUWHL-UHFFFAOYSA-N;138.21;1.99;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_C3";;;;;;;2.57;;0.45;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM447916;MM447916;C#CC#CCC1NC1C=C;BKGMIZIBFCHTQV-UHFFFAOYSA-N;131.18;0.54;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP1_C4";;;;;;;1.37;;-0.04;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM447917;MM447917;C#CC#CCC1NC1C#N;HXMAYBQDGWZGGM-UHFFFAOYSA-N;130.15;-0.12;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4_SP2";;;;;;;1.09;;-0.38;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM447918;MM447918;C#CCCCOCC=NO;LULIDMYKMRMAFW-UHFFFAOYSA-N;141.17;0.88;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_C5";;;;;;;0.81;;-0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM447919;MM447919;C#CC#CCC1OC1C=C;FMVIYGWIIBKTIH-UHFFFAOYSA-N;132.16;0.97;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNa_C4";;;;;;;2.2;;0.34;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM447920;MM447920;C#CCOCOCC=CF;LMKGPRDXFJDPME-UHFFFAOYSA-N;144.15;1.09;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4_P2";;;;;;;1.09;;-0.38;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM447921;MM447921;C#CC#CCC1CN1C=N;DXBHGOVXYPMNKF-UHFFFAOYSA-N;132.17;0.3;;;;;DOPC;MDCG;27;1;"MARTINI bead: SP2_C4";;;;;;;1.09;;-3.32;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM447922;MM447922;C=CCC=NN=CNC=C;FFTFBDNSUYOGJE-UHFFFAOYSA-N;137.19;1.31;;;;;DOPC;MDCG;27;0;"MARTINI bead: N0_Nd";;;;;;;1.17;;-1.04;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM447923;MM447923;C#CC#CCC1CN1C=O;PVHRYFPLXCMZSL-UHFFFAOYSA-N;133.15;-0.15;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP2_C4";;;;;;;1.09;;-0.38;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM447924;MM447924;C#CCOCONC=NO;XQOXMNAFPLWFMZ-UHFFFAOYSA-N;144.13;-0.47;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_P1";;;;;;;-0.79;;-3.13;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM447925;MM447925;C#CC#CCC1CN1N=C;ZPNPGKCEQAZBCN-UHFFFAOYSA-N;132.17;0.31;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP2_C4";;;;;;;1.09;;-0.38;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM447926;MM447926;C#CCCNCCC=CF;YSJACNWSVHASLT-UHFFFAOYSA-N;141.19;1.47;;;;;DOPC;MDCG;27;1;"MARTINI bead: C5_Nd";;;;;;;1.64;;-2.63;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM447927;MM447927;C#CC#CCN1CC1C=C;NALCSEKHWQGIEE-UHFFFAOYSA-N;131.18;0.49;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP1_C4";;;;;;;1.37;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM447928;MM447928;C#CCCOCCC=CF;XJXWOVIKPXXGRF-UHFFFAOYSA-N;142.17;1.9;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4_Na";;;;;;;2.2;;0.34;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM447929;MM447929;NC=CC(=O)N1CC1;QYAUBLWUFDDRTJ-UHFFFAOYSA-N;112.13;-0.7;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_SP2";;;;;;;-1.06;;-3.82;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM447930;MM447930;C#CCCOCOC=CF;TUSKHQKLPSABRN-UHFFFAOYSA-N;144.15;1.44;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_Na";;;;;;;0.87;;-2.22;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM447931;MM447931;C#CC1CC1CC#CCC;RUOAUZGARBTIAF-UHFFFAOYSA-N;132.21;2.06;;;;;DOPC;MDCG;27;0;"MARTINI bead: C3_SC5";;;;;;;3.34;;0.48;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM447932;MM447932;C#CCCOCON=CC;KHTLIFJWSGCKQU-UHFFFAOYSA-N;141.17;1.01;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_Na";;;;;;;0.87;;-2.22;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM447933;MM447933;C#CC1CC1CC#CCN;VTMMLXLFMHMDCN-UHFFFAOYSA-N;133.19;0.61;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_SC5";;;;;;;1.64;;-1.41;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM447934;MM447934;CC#CCCCCOCC;LSDYPFYXYDRSAW-UHFFFAOYSA-N;140.23;2.22;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_C3";;;;;;;3.34;;0.48;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM447935;MM447935;C#CC1CC1CC#CCO;QSBCLRVFYWGRLP-UHFFFAOYSA-N;134.18;0.64;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_SC5";;;;;;;0.54;;-1.09;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM447936;MM447936;CC#CCCCOCCC;KJNMYUWBVQWCHQ-UHFFFAOYSA-N;140.23;2.22;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4_C4";;;;;;;3.53;;0.53;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM447937;MM447937;C#CC1NC1CC#CCC;RMULMVKWAWDWMA-UHFFFAOYSA-N;133.19;0.76;;;;;DOPC;MDCG;27;0;"MARTINI bead: C3_SP3";;;;;;;0.6;;-0.8;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM447938;MM447938;CC#CCNCCCCO;HGTPYGZESADCBY-UHFFFAOYSA-N;141.21;0.37;;;;;DOPC;MDCG;27;1;"MARTINI bead: N0_P1";;;;;;;0.34;;-3.18;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM447939;MM447939;C#CC1NC1CC#CCN;RBDIYOVUCZNVPI-UHFFFAOYSA-N;134.18;-0.69;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_SP3";;;;;;;-1.1;;-5.43;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM447940;MM447940;CC#CCNCCCNC;KPTFVHHYHXTJSG-UHFFFAOYSA-N;140.23;0.21;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_Nd";;;;;;;0.87;;-4.91;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM447941;MM447941;C#CC1NC1CC#CCF;LWNZHDWCBUTBSL-UHFFFAOYSA-N;137.16;0.32;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_SP2";;;;;;;-0.24;;-3.24;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM447942;MM447942;CC#CCNCCNCC;KTKILSIISNHXQY-UHFFFAOYSA-N;140.23;0.21;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_Nd";;;;;;;0.87;;-4.36;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM447943;MM447943;C#CC1OC1CC#CCC;ZPNSSFMBKKJROV-UHFFFAOYSA-N;134.18;1.19;;;;;DOPC;MDCG;27;0;"MARTINI bead: C3_SNa";;;;;;;2.57;;0.45;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM447944;MM447944;CC#CCNCCOCC;QNOJVASXXLYSTA-UHFFFAOYSA-N;141.21;0.64;;;;;DOPC;MDCG;27;1;"MARTINI bead: C5_Nd";;;;;;;1.64;;-1.01;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM447945;MM447945;C#CC1CN1CC#CCC;XCOUZCDIEQUHBB-UHFFFAOYSA-N;133.19;0.72;;;;;DOPC;MDCG;27;0;"MARTINI bead: C3_SP3";;;;;;;0.6;;-0.8;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM447946;MM447946;CC#CCOCCCCC;WSWKWNYCVXVEHL-UHFFFAOYSA-N;140.23;2.22;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1_C5";;;;;;;3.68;;0.46;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM447947;MM447947;C#CC1CN1CC#CCN;FCOBZBUWTKLDSY-UHFFFAOYSA-N;134.18;-0.73;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_SP3";;;;;;;-1.1;;-5.39;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM447948;MM447948;CC#CCOCCCNC;BYTJJVODCGSQMH-UHFFFAOYSA-N;141.21;0.64;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_C5";;;;;;;1.64;;-2.79;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM447949;MM447949;C#CC1CN1CC#CCF;GSXJXSPRVAWNDA-UHFFFAOYSA-N;137.16;0.28;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_SP1";;;;;;;0.04;;-2.54;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM447950;MM447950;CC#CCOCCOCC;CTPPSIHUXADXPR-UHFFFAOYSA-N;142.2;1.06;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_C5";;;;;;;1.64;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM447951;MM447951;C#CC1CC1CC#CC=C;QPRQTYOHVNDKJM-UHFFFAOYSA-N;130.19;1.84;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4_SC5";;;;;;;2.97;;0.45;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM447952;MM447952;CC#CCOCOCCN;OLUHGZFTBIDQAU-UHFFFAOYSA-N;143.19;-0.04;;;;;DOPC;MDCG;27;1;"MARTINI bead: C4_P4";;;;;;;0.15;;-4.14;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM447953;MM447953;C#CC1CC1CC#CC=O;FWMDXOVJGIRQQL-UHFFFAOYSA-N;132.16;0.85;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_SC5";;;;;;;0.81;;-0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM447954;MM447954;CC#CCOCOCOC;MIGQGGPRSYLLIK-UHFFFAOYSA-N;144.17;0.6;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_C5";;;;;;;0.54;;-1.09;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM447955;MM447955;C#CC1CC1CC#CC#N;GYKCVHWBXZRLTI-UHFFFAOYSA-N;129.16;1.17;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC5_N0";;;;;;;1.94;;0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM447956;MM447956;CC#CCCOCCCN;MLVKLRPHTACNQN-UHFFFAOYSA-N;141.21;0.77;;;;;DOPC;MDCG;27;1;"MARTINI bead: C4_P2";;;;;;;1.09;;-3.05;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM447957;MM447957;C#CC1NC1CC#CC=C;YBIXHDWPVJGDEL-UHFFFAOYSA-N;131.18;0.54;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4_SP3";;;;;;;0.23;;-1.03;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM447958;MM447958;C=COCCCCC#CC;GANAKQSVWSGMCE-UHFFFAOYSA-N;138.21;2.34;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1_Na";;;;;;;2.91;;0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM447959;MM447959;C#CC1NC1CC#CC#N;VKTDVNPLJJILNW-UHFFFAOYSA-N;130.15;-0.12;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP3_N0";;;;;;;-0.8;;-2.99;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM447960;MM447960;CC#CCCCNCC=O;QSQBPFPUIQAJQG-UHFFFAOYSA-N;139.2;0.58;;;;;DOPC;MDCG;27;1;"MARTINI bead: C3_P2";;;;;;;1.46;;-1.27;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM447961;MM447961;C#CC1OC1CC#CC=C;CKIGOTRUDLUPBN-UHFFFAOYSA-N;132.16;0.97;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4_SNa";;;;;;;2.2;;0.34;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM447962;MM447962;CC#CCCCNCC#N;GAFSYWWFMKROOP-UHFFFAOYSA-N;136.2;0.9;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4_P2";;;;;;;1.09;;-0.37;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM447963;MM447963;C#CC1OC1CC#CC=O;FLPRIPFQDCRFHU-UHFFFAOYSA-N;134.13;-0.02;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_SNa";;;;;;;0.04;;-2.54;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM447964;MM447964;C#CC1CNC1C#N;BQKXJBCLLQUKIW-UHFFFAOYSA-N;106.13;-0.27;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP2_SP2";;;;;;;-1.34;;-4.31;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM447965;MM447965;C#CC1OC1CC#CC#N;TYGBMSBVURUSCY-UHFFFAOYSA-N;131.13;0.3;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNa_N0";;;;;;;1.17;;-1.18;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM447966;MM447966;C=CCOCCCC#CC;HVGLQJNGVLHIGJ-UHFFFAOYSA-N;138.21;1.99;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4_C5";;;;;;;2.97;;0.45;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM447967;MM447967;C#CC1CN1CC#CC#N;KXERZUZGHQVJDF-UHFFFAOYSA-N;130.15;-0.17;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP3_N0";;;;;;;-0.8;;-2.99;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM447968;MM447968;CC#CCOCCNC=N;YMPBTHLRNYYMCL-UHFFFAOYSA-N;140.19;0.22;;;;;DOPC;MDCG;27;1;"MARTINI bead: C4_P3";;;;;;;0.23;;-4.84;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM447969;MM447969;C#CC#CCC1CC1C#C;SHCKKNYYSWGKQA-UHFFFAOYSA-N;128.17;1.28;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4_SC5";;;;;;;2.97;;0.45;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM447970;MM447970;CC#CCOCCNC=O;VBHUOTFNMYFODJ-UHFFFAOYSA-N;141.17;-0.23;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4_P3";;;;;;;0.23;;-1.03;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM447971;MM447971;C#CC#CCC1NC1C#C;VWYFZDPIAHTZBH-UHFFFAOYSA-N;129.16;-0.01;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4_SP3";;;;;;;0.23;;-1.03;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM447972;MM447972;C=NNCCOCC#CC;BSCSBSFLJGUQRN-UHFFFAOYSA-N;140.19;0.23;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_P2";;;;;;;0.54;;-1.09;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM447973;MM447973;C#CC#CCC1OC1C#C;JOUAHBVNTYFDAJ-UHFFFAOYSA-N;130.15;0.41;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4_SNa";;;;;;;2.2;;0.34;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM447974;MM447974;CC#CCOCCOC=O;HSTAMCIBIHXGSG-UHFFFAOYSA-N;142.15;0.2;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_P1";;;;;;;0.81;;-0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM447975;MM447975;C#CC#CCN1CC1C#C;FIYRNJQNODZCOM-UHFFFAOYSA-N;129.16;-0.06;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4_SP3";;;;;;;0.23;;-1.03;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM447976;MM447976;C=NOCCOCC#CC;BCWVPHCDTYIDJR-UHFFFAOYSA-N;141.17;0.66;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_P1";;;;;;;0.81;;-0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM447977;MM447977;CCCC=CC1CC1CC;DDUDRGUMJNZZFR-UHFFFAOYSA-N;138.25;3.39;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1_SC3";;;;;;;4.61;;0.31;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM447978;MM447978;C=CCOCOCC#CC;LHGPFBKFRMWIEM-UHFFFAOYSA-N;140.18;1.19;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_Na";;;;;;;0.87;;-2.22;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM447979;MM447979;CCC1CC1C=CCCO;QEYPTYYTDWIGJV-UHFFFAOYSA-N;140.23;1.97;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC3_Nda";;;;;;;2.57;;0.44;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM447980;MM447980;CC#CCOCONC=N;MIXRTMDLNXLGAS-UHFFFAOYSA-N;142.16;0.11;;;;;DOPC;MDCG;27;1;"MARTINI bead: N0_P2";;;;;;;0.06;;-3.76;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM447981;MM447981;CCCC=CC1CC1CN;LFUXHIBPONHENH-UHFFFAOYSA-N;139.24;1.94;;;;;DOPC;MDCG;27;1;"MARTINI bead: C1_SNd";;;;;;;2.91;;-0.55;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM447982;MM447982;CC#CCOCONC=O;DZCZQGDVWZUXAQ-UHFFFAOYSA-N;143.14;-0.34;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4_P4";;;;;;;0.15;;-2.18;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM447983;MM447983;NCCC=CC1CC1CN;DHGZGLIJBJFDDF-UHFFFAOYSA-N;140.23;0.49;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_SNd";;;;;;;0.87;;-5.19;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM447984;MM447984;CC#CCCNCCC=O;RUYXDCSOBSTGRD-UHFFFAOYSA-N;139.2;0.58;;;;;DOPC;MDCG;27;1;"MARTINI bead: C4_P1";;;;;;;1.37;;-2.02;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM447985;MM447985;CCC(F)(F)C=NNC;PBNOKCTYEKQPJB-UHFFFAOYSA-N;136.15;1.24;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_P2";;;;;;;0.54;;-1.09;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM447986;MM447986;CC#CCCOCCC=O;YXJCIRFVRMZFET-UHFFFAOYSA-N;140.18;1.01;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4_P1";;;;;;;1.37;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM447987;MM447987;CCOC=CC1CC1CN;QDHCWZFFSAWZAB-UHFFFAOYSA-N;141.21;1.13;;;;;DOPC;MDCG;27;1;"MARTINI bead: C5_SNd";;;;;;;1.64;;-2.69;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM447988;MM447988;C#CCCCCCC#CC;KVAAWXGNKQYDEN-UHFFFAOYSA-N;134.22;2.59;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4_C1";;;;;;;4.24;;0.42;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM447989;MM447989;CCOC=CC1CC1NC;QPXOJNURALPSQI-UHFFFAOYSA-N;141.21;1.14;;;;;DOPC;MDCG;27;1;"MARTINI bead: C5_SNd";;;;;;;1.64;;-2.61;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM447990;MM447990;C#CCNCCCC#CC;BQYWGNHAHGRSTQ-UHFFFAOYSA-N;135.21;1.01;;;;;DOPC;MDCG;27;1;"MARTINI bead: C4_Nd";;;;;;;2.2;;-1.39;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM447991;MM447991;CCCC=CC1CC1OC;MCCNSYIJUYIQBY-UHFFFAOYSA-N;140.23;2.38;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1_SNa";;;;;;;2.91;;0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM447992;MM447992;C#CCCNCCC#CC;KKCILSLNUIINRU-UHFFFAOYSA-N;135.21;1.01;;;;;DOPC;MDCG;27;1;"MARTINI bead: C4_Nd";;;;;;;2.2;;-1.7;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM447993;MM447993;NCCC=CC1NC1CN;CEEQDMIVNLIQQL-UHFFFAOYSA-N;141.22;-0.81;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_SP2";;;;;;;-0.24;;-5.96;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM447994;MM447994;CC=CCCCCC=CC;ZIWONNNFUQQNAZ-UHFFFAOYSA-N;138.25;3.7;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1_C2";;;;;;;4.87;;0.53;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM447995;MM447995;CCCC=CC1CN1CC;GTPUFWAHTXIDCL-UHFFFAOYSA-N;139.24;2.05;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1_SNd";;;;;;;2.91;;0.64;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM447996;MM447996;CCC=NNC=NCC;ARQSEFNEJSFPJJ-UHFFFAOYSA-N;127.19;1.02;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nd_C5";;;;;;;1.64;;0.03;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM447997;MM447997;C=CCC=CC1CC1CN;JHQZPSMRRBZXHY-UHFFFAOYSA-N;137.23;1.71;;;;;DOPC;MDCG;27;1;"MARTINI bead: SNd_C3";;;;;;;2.57;;-1.51;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM447998;MM447998;CC=CCCCN=CNN;LLTGYKACRWLSHY-UHFFFAOYSA-N;141.22;0.83;;;;;DOPC;MDCG;27;1;"MARTINI bead: C1_P3";;;;;;;0.94;;-1.89;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM447999;MM447999;C#CCNN=CC(=C)F;OJUJIZAXQZSXOZ-UHFFFAOYSA-N;126.13;0.68;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_P1";;;;;;;0.81;;-0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM448000;MM448000;CN=CNN=CC(C)(C)C;OJUHOBXZPUKWGK-UHFFFAOYSA-N;141.22;1.27;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_C3";;;;;;;1.74;;0.3;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM448001;MM448001;C=CCC=CC1NC1CN;YIAQLHLZLQZXLK-UHFFFAOYSA-N;138.21;0.42;;;;;DOPC;MDCG;27;1;"MARTINI bead: SP2_C2";;;;;;;1.72;;-1.24;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM448002;MM448002;CN=CNCCCC=NN;UQZYJIZVEYLZLV-UHFFFAOYSA-N;142.21;-0.04;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1_Nd";;;;;;;0.04;;-6.45;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM448003;MM448003;C=COC=CC1NC1CN;RKPSZZXDFVWRRG-UHFFFAOYSA-N;140.19;-0.04;;;;;DOPC;MDCG;27;1;"MARTINI bead: SP2_C5";;;;;;;0.54;;-3.01;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM448004;MM448004;CC=CCCCNN=CC;HGUZFUPGNWIQKV-UHFFFAOYSA-N;140.23;1.94;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1_Nd";;;;;;;2.91;;0.64;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM448005;MM448005;C=COC=CC1NC1CF;QEVANWZHRCFVNQ-UHFFFAOYSA-N;143.16;0.97;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP1_C5";;;;;;;0.81;;-0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM448006;MM448006;CC=CCCCOC=CC;ZJIPOTIOLGISEE-UHFFFAOYSA-N;140.23;2.89;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1_C5";;;;;;;3.68;;0.46;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM448007;MM448007;C=COC=NN1CC1CC;QZJVPHUGNFAFEB-UHFFFAOYSA-N;140.19;1.18;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP1_P1";;;;;;;-0.79;;-3.13;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM448008;MM448008;CC=CCCCON=CC;QCFROMMSELGHHP-UHFFFAOYSA-N;141.21;2.37;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1_Na";;;;;;;2.91;;0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM448009;MM448009;C=COC=NN1CC1CN;HFJGDNWPRKHSCT-UHFFFAOYSA-N;141.17;-0.27;;;;;DOPC;MDCG;27;1;"MARTINI bead: SP2_Na";;;;;;;-0.24;;-4.53;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM448010;MM448010;CN=CNCCNC=NC;XWCZUIBCOFHZRB-UHFFFAOYSA-N;142.21;-0.52;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1_P1";;;;;;;-0.79;;-6.96;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM448011;MM448011;C#CCC=CC1CC1CC;GMNHSFORZLVLFY-UHFFFAOYSA-N;134.22;2.61;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC3_C3";;;;;;;4.27;;0.2;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM448012;MM448012;C#CCC=CC1CC1CN;BYNDKPKNJDDTAQ-UHFFFAOYSA-N;135.21;1.16;;;;;DOPC;MDCG;27;1;"MARTINI bead: SNd_C3";;;;;;;2.57;;-1.51;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM448013;MM448013;CC=COCCOC=CC;ISZMFJWFEISZKG-UHFFFAOYSA-N;142.2;2.09;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_C5";;;;;;;2.41;;0.64;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM448014;MM448014;C#CCC=CC1NC1CN;NQWZSMISBUZVLH-UHFFFAOYSA-N;136.2;-0.14;;;;;DOPC;MDCG;27;1;"MARTINI bead: SP2_C5";;;;;;;0.54;;-3.01;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM448015;MM448015;CC(=O)C(C)=C(C)N(C)C;AZNJUVXUWWLLLW-UHFFFAOYSA-N;141.21;1.43;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_C5";;;;;;;0.81;;-0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM448016;MM448016;C#CCC=CC1OC1CC;QAISVCRWVIDNLC-UHFFFAOYSA-N;136.19;1.74;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNa_C5";;;;;;;1.64;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM448017;MM448017;CC=COCCOC=NO;SLDVURUEIDXMFU-UHFFFAOYSA-N;145.16;0.97;;;;;DOPC;MDCG;27;0;"MARTINI bead: C3_P3";;;;;;;0.6;;-0.8;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM448018;MM448018;C#CCC=NN1CC1CN;QFWCXYRAZDNKSW-UHFFFAOYSA-N;137.19;-0.36;;;;;DOPC;MDCG;27;1;"MARTINI bead: SP2_P1";;;;;;;-1.06;;-5.41;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM448019;MM448019;C=CC(=C)NC(C)=NN=C;UDJPIFSZGWTUMS-UHFFFAOYSA-N;137.19;1.31;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_Nd";;;;;;;1.64;;0.02;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM448020;MM448020;CC=NOCCON=CC;SPBIOZDMSJAKPH-UHFFFAOYSA-N;144.17;1.03;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_Na";;;;;;;0.87;;-2.22;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM448021;MM448021;C=CC1CC1C=CCCC;GNJQXNPLCYPKFJ-UHFFFAOYSA-N;136.24;3.16;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1_SC4";;;;;;;4.24;;0.42;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM448022;MM448022;CC=CCNCCC=NN;VTSFMXJJWUAJFX-UHFFFAOYSA-N;141.22;0.49;;;;;DOPC;MDCG;27;1;"MARTINI bead: C5_Nd";;;;;;;1.64;;-1.86;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM448023;MM448023;C=CC1CC1C=CCCO;JGWRMSMGMFALCY-UHFFFAOYSA-N;138.21;1.75;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda_SC4";;;;;;;2.2;;0.49;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM448024;MM448024;CC=CCCNNC=NC;KBTBSCKPSJDKQH-UHFFFAOYSA-N;141.22;0.7;;;;;DOPC;MDCG;27;1;"MARTINI bead: C5_P2";;;;;;;0.54;;-3.39;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM448025;MM448025;CNCC=CC1CC1C#N;RDVMGYIVVQWOIX-UHFFFAOYSA-N;136.2;0.92;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_SN0";;;;;;;1.17;;-3.37;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM448026;MM448026;C=CC1NC1C=CCCN;LKZKMOYWSYORON-UHFFFAOYSA-N;138.21;0.42;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_SP1";;;;;;;0.04;;-5.39;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM448027;MM448027;CN=CNNCCC=CF;USHFMQYPCJSVNH-UHFFFAOYSA-N;145.18;0.61;;;;;DOPC;MDCG;27;1;"MARTINI bead: P2_Nda";;;;;;;-0.24;;-5.61;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM448028;MM448028;C=CC1NC1C=CCNC;YPMLDVAOAOBDOE-UHFFFAOYSA-N;138.21;0.29;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_SP1";;;;;;;0.04;;-4.96;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM448029;MM448029;CC=CCCONC=NC;MQRMOBJDJDRXJX-UHFFFAOYSA-N;142.2;1.13;;;;;DOPC;MDCG;27;1;"MARTINI bead: C1_P2";;;;;;;1.8;;-0.07;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM448030;MM448030;C=CC1OC1C=CCCO;OULIAYLIXICUGA-UHFFFAOYSA-N;140.18;0.88;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda_SNa";;;;;;;0.87;;-1.99;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM448031;MM448031;CC=CCCON=CNN;DZMZXWUBOKYBNC-UHFFFAOYSA-N;143.19;0.38;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1_P4";;;;;;;0.85;;-0.64;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM448032;MM448032;CCCC=CC1CN1C=N;UEDJTTHOXPGJJJ-UHFFFAOYSA-N;138.21;1.63;;;;;DOPC;MDCG;27;1;"MARTINI bead: C1_SP2";;;;;;;1.8;;-1.59;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM448033;MM448033;C=CCC(C#N)=NN(C)C;MHVZZNLLAYYBDT-UHFFFAOYSA-N;137.19;1;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_N0";;;;;;;0.34;;-1.53;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM448034;MM448034;N=CN1CC1C=CCCO;IBBCMMPYDFGTGT-UHFFFAOYSA-N;140.19;0.22;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nda_SP2";;;;;;;-0.24;;-6.01;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM448035;MM448035;CN=C(NC(C)C)C(C)=O;DOEYGSOXECNKAV-UHFFFAOYSA-N;142.2;0.6;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nd_Na";;;;;;;0.87;;-1.88;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM448036;MM448036;CCCC=CC1CN1C=O;ZDSLBJDXYXMJMQ-UHFFFAOYSA-N;139.2;1.18;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1_SP2";;;;;;;1.8;;0.4;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM448037;MM448037;CC=CCOCOC=CC;YZLJEXJLEXWIOO-UHFFFAOYSA-N;142.2;2.09;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_C5";;;;;;;1.64;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM448038;MM448038;CCOC=CC1CN1C=N;RUDBIHWMJADJCS-UHFFFAOYSA-N;140.19;0.83;;;;;DOPC;MDCG;27;1;"MARTINI bead: C5_SP2";;;;;;;0.54;;-3.73;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM448039;MM448039;C#CCC(=N)NN=CC=C;VEJOQHNJFZDDKE-UHFFFAOYSA-N;135.17;0.75;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nd_Nd";;;;;;;0.87;;-2.11;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM448040;MM448040;CC#CC(F)C=NOC;NUDQWNJBOYWPNX-UHFFFAOYSA-N;129.13;0.98;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_N0";;;;;;;1.17;;-1.18;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM448041;MM448041;C=CNC(C)=NN=COC;IZBUVDGBQOANHB-UHFFFAOYSA-N;141.17;0.73;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_P1";;;;;;;0.81;;-0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM448042;MM448042;C=NN1CC1C=COCC;PVXYIVFNOQYPQN-UHFFFAOYSA-N;140.19;0.84;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_SP2";;;;;;;0.54;;-1.09;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM448043;MM448043;NN=CCOCOC=NO;IZDUCQJFSGHZHR-UHFFFAOYSA-N;147.13;-0.66;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nd_P3";;;;;;;-1.1;;-3.93;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM448044;MM448044;C=NN1CC1C=NNCC;VCCNVWHLOUYNGP-UHFFFAOYSA-N;140.19;-0.12;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nd_SP2";;;;;;;-0.24;;-3.16;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM448045;MM448045;CC=NOCOCC=CF;PJIFEVXZSZUCMD-UHFFFAOYSA-N;147.15;1.47;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_Na";;;;;;;0.87;;-2.22;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM448046;MM448046;C=CC1CN1C=NCCC;DWEQNPNVSLGRJB-UHFFFAOYSA-N;138.21;1.29;;;;;DOPC;MDCG;27;1;"MARTINI bead: C4_SP1";;;;;;;1.37;;-1.62;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM448047;MM448047;COCONC(=N)C(F)F;ORTOLXXOXCGHKE-UHFFFAOYSA-N;154.12;0.35;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_N0";;;;;;;0.06;;-2.21;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM448048;MM448048;C=CC1CN1C=NOCC;BBCKGNMGLLFIEG-UHFFFAOYSA-N;140.19;0.84;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_SNd";;;;;;;0.04;;-2.63;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM448049;MM448049;N#CC(=N)NNC(=N)C=O;PFYUONFYTZTZBJ-UHFFFAOYSA-N;139.12;-1.24;;;;;DOPC;MDCG;27;0;"MARTINI bead: P3_P1";;;;;;;-1.93;;-4.72;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM448050;MM448050;CCON=CN1CC1C#N;AWVZMMBHJLNJKG-UHFFFAOYSA-N;139.16;0.17;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_SP1";;;;;;;-0.79;;-3.13;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM448051;MM448051;ON=CNOCOC=CF;GJRQRCNJESFBBB-UHFFFAOYSA-N;150.11;0.34;;;;;DOPC;MDCG;27;0;"MARTINI bead: P4_C5";;;;;;;-0.41;;-2.78;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM448052;MM448052;C=CC1CN1N=CCCC;SVLYWYWMSVUQJB-UHFFFAOYSA-N;138.21;1.64;;;;;DOPC;MDCG;27;0;"MARTINI bead: N0_SP1";;;;;;;0.34;;-1.53;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM448053;MM448053;C#CC(=N)NN=C(C)CC;VOOJHDTUAYEQKW-UHFFFAOYSA-N;137.19;0.97;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_P2";;;;;;;0.54;;-1.09;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM448054;MM448054;C=CC1CN1N=CCCN;MZHWGOXBWOOHOA-UHFFFAOYSA-N;139.2;0.19;;;;;DOPC;MDCG;27;1;"MARTINI bead: P3_SP1";;;;;;;-1.93;;-7.1;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM448055;MM448055;ON=CNOCOC=NO;LJOGMZZAOXEWGH-UHFFFAOYSA-N;149.11;-0.68;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_P2";;;;;;;-1.06;;-3.82;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM448056;MM448056;CCCC=NN1CC1C#N;RUWLMRLHOUGLHH-UHFFFAOYSA-N;137.19;0.98;;;;;DOPC;MDCG;27;0;"MARTINI bead: N0_SP2";;;;;;;0.06;;-2.21;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM448057;MM448057;CC#CCCCCC=CF;PBCIVKFNRAMUCN-UHFFFAOYSA-N;140.2;3.05;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1_C4";;;;;;;4.24;;0.42;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM448058;MM448058;CCC(=O)C1(C)NC1C;JPXQGEOIHGWHIX-UHFFFAOYSA-N;127.19;0.72;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_SP1";;;;;;;0.04;;-2.54;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM448059;MM448059;CC#CCCCNN=CC;XMWSUXJDBDPWOP-UHFFFAOYSA-N;138.21;1.39;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nd_C1";;;;;;;2.91;;0.63;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM448060;MM448060;C=CC1CN1N=COCC;KEHUSLHRZWYBBC-UHFFFAOYSA-N;140.19;0.84;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_SP1";;;;;;;0.04;;-2.54;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM448061;MM448061;CC#CCCCOC=CC;SEXWQLCKMSIJQX-UHFFFAOYSA-N;138.21;2.34;;;;;DOPC;MDCG;27;0;"MARTINI bead: C3_C4";;;;;;;3.9;;0.47;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM448062;MM448062;CC1(C=O)CN=C(C#N)N1;OODKWWNOVUUEFT-UHFFFAOYSA-N;137.14;-0.53;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP2_SP1";;;;;;;-1.06;;-3.82;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM448063;MM448063;C=CCC=CC1CC1C=C;HUZVHMJTWJGLFZ-UHFFFAOYSA-N;134.22;2.94;;;;;DOPC;MDCG;27;0;"MARTINI bead: C2_SC4";;;;;;;4.16;;0.44;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM448064;MM448064;CC#CCNCCC=CC;IVQLEQPDETWDCB-UHFFFAOYSA-N;137.23;1.57;;;;;DOPC;MDCG;27;1;"MARTINI bead: C1_Nd";;;;;;;2.91;;0.2;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM448065;MM448065;C=CC1CC1C=CCC#N;YOQAAHRUCLRYFA-UHFFFAOYSA-N;133.19;2.28;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC4_N0";;;;;;;2.5;;0.44;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM448066;MM448066;CC#CCOCCC=NO;FFOPVDCGPIKMGH-UHFFFAOYSA-N;141.17;0.88;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_P1";;;;;;;0.81;;-0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM448067;MM448067;C=CCC=CC1CC1C=O;FNLXIOQFXPLWIV-UHFFFAOYSA-N;136.19;1.95;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1_SNa";;;;;;;2.91;;0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM448068;MM448068;CC#CCCOCC=CC;LZZZPQIKGQQEGF-UHFFFAOYSA-N;138.21;1.99;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4_C4";;;;;;;3.53;;0.53;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM448069;MM448069;C=CCC=CC1CC1C#N;ILHPJGYJKPGROE-UHFFFAOYSA-N;133.19;2.28;;;;;DOPC;MDCG;27;0;"MARTINI bead: C2_SN0";;;;;;;3.13;;0.3;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM448070;MM448070;CC#CCCON=CNN;UHMBYVMTVJNYNS-UHFFFAOYSA-N;141.17;-0.18;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4_P3";;;;;;;0.23;;-1.03;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM448071;MM448071;N#CCC=CC1CC1C=O;LGCKLKSRFPVVCA-UHFFFAOYSA-N;135.17;1.29;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNa_N0";;;;;;;1.17;;-1.18;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM448072;MM448072;CC#CCCCCC#CC;KORPQWPYEOSKGV-UHFFFAOYSA-N;134.22;2.59;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4_C1";;;;;;;4.24;;0.42;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM448073;MM448073;N#CC1CC1C=CCC=O;GBKAQKPTGZYFPZ-UHFFFAOYSA-N;135.17;1.29;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_SN0";;;;;;;1.17;;-1.18;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM448074;MM448074;CCCCCCC=CCN;UOAJCXXDUFJMCW-UHFFFAOYSA-N;141.26;2.47;;;;;DOPC;MDCG;27;1;"MARTINI bead: C1_Nd";;;;;;;2.91;;-0.08;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM448075;MM448075;N#CCC=CC1CC1C#N;MTDBLSKTABXMAE-UHFFFAOYSA-N;132.17;1.62;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_SN0";;;;;;;1.94;;0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM448076;MM448076;CCCCCCC=CCF;FBHYFRJWTFTGTL-UHFFFAOYSA-N;144.23;3.48;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1_C4";;;;;;;4.24;;0.42;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM448077;MM448077;C=CC1CC1C=CNC=N;BVPYYGBQHOCECL-UHFFFAOYSA-N;136.2;1.52;;;;;DOPC;MDCG;27;1;"MARTINI bead: SC4_P2";;;;;;;1.09;;-4.34;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM448078;MM448078;CCC=CCCCCCN;JZTQLYAWOXGJNY-UHFFFAOYSA-N;141.26;2.47;;;;;DOPC;MDCG;27;1;"MARTINI bead: C1_Nd";;;;;;;2.91;;-0.56;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM448079;MM448079;C=CCC=CC1NC1C=C;WTLYHRQEJMBFKQ-UHFFFAOYSA-N;135.21;1.65;;;;;DOPC;MDCG;27;0;"MARTINI bead: C2_SP1";;;;;;;2;;0.34;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM448080;MM448080;NCC=CCCCCCN;UXKTYNCUCMQFQN-UHFFFAOYSA-N;142.25;1.02;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_Nd";;;;;;;0.87;;-5.02;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM448081;MM448081;C=CC1OC1C=CCC=O;QVNALQXPUSRVLA-UHFFFAOYSA-N;138.17;1.09;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNa_Na";;;;;;;0.87;;-2.22;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM448082;MM448082;NCCCCCC=CCO;UGACJIFXELZISV-UHFFFAOYSA-N;143.23;1.05;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_Nda";;;;;;;0.87;;-4.72;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM448083;MM448083;C=CCC=CC1OC1C=O;KFSZZANKWKXCGG-UHFFFAOYSA-N;138.17;1.09;;;;;DOPC;MDCG;27;0;"MARTINI bead: C2_SP2";;;;;;;1.72;;0.27;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM448084;MM448084;NCCCCCC=CCF;NNJVTTQFUYNPCP-UHFFFAOYSA-N;145.22;2.03;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_C4";;;;;;;2.2;;-2.22;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM448085;MM448085;C=CCC=CC1OC1C#N;PJLFXSVCSCSXKR-UHFFFAOYSA-N;135.17;1.41;;;;;DOPC;MDCG;27;0;"MARTINI bead: C2_SP1";;;;;;;2;;0.29;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM448086;MM448086;CN=C(NC=C(F)F)OC;QFXRUJNCGOZQIN-UHFFFAOYSA-N;150.13;0.95;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_C4";;;;;;;1.37;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM448087;MM448087;N#CC1OC1C=CNC=N;RJYCTARETFNONJ-UHFFFAOYSA-N;137.14;-0.01;;;;;DOPC;MDCG;27;1;"MARTINI bead: P2_SP1";;;;;;;-1.06;;-7.58;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM448088;MM448088;CCC=CCCCCCF;GGHOHYJEZTZXOW-UHFFFAOYSA-N;144.23;3.48;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1_C4";;;;;;;4.24;;0.42;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM448089;MM448089;C=CCC=CC1CN1C=N;WENVRSCWKZSJAD-UHFFFAOYSA-N;136.2;1.41;;;;;DOPC;MDCG;27;1;"MARTINI bead: C2_SP2";;;;;;;1.72;;-1.99;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM448090;MM448090;CCC=CCCCCNC;JAIOSSZUPVJJSE-UHFFFAOYSA-N;141.26;2.34;;;;;DOPC;MDCG;27;1;"MARTINI bead: C1_Nd";;;;;;;2.91;;-0.86;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM448091;MM448091;N#CCC=CC1CN1C=N;GSTULNUINFNXSS-UHFFFAOYSA-N;135.17;0.75;;;;;DOPC;MDCG;27;1;"MARTINI bead: SP2_N0";;;;;;;0.06;;-4.91;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM448092;MM448092;CNCCCCC=CCN;OZISXSSCKXVLBT-UHFFFAOYSA-N;142.25;0.89;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_Nd";;;;;;;0.87;;-5.3;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM448093;MM448093;C=CCC=CC1CN1C=O;XICPRBHOQOFLMI-UHFFFAOYSA-N;137.18;0.96;;;;;DOPC;MDCG;27;0;"MARTINI bead: C2_SP2";;;;;;;1.72;;0.27;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM448094;MM448094;CNCCCCC=CCO;LBOGMLBSSAYTJE-UHFFFAOYSA-N;143.23;0.92;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_Nda";;;;;;;0.87;;-5.04;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM448095;MM448095;N=CNN=CC1CN1C=N;FMCAOPBBSMSCMS-UHFFFAOYSA-N;139.16;-0.54;;;;;DOPC;MDCG;27;1;"MARTINI bead: P2_SP2";;;;;;;-1.34;;-6.54;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM448096;MM448096;CNCCCCC=COC;GOHIDJGAMWKCQX-UHFFFAOYSA-N;143.23;1.54;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_C5";;;;;;;1.64;;-3.02;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM448097;MM448097;C=CCC=CC1CN1N=C;UWWKBXWPLYSICI-UHFFFAOYSA-N;136.2;1.42;;;;;DOPC;MDCG;27;0;"MARTINI bead: C2_SP2";;;;;;;1.72;;0.27;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM448098;MM448098;CNN=CCCCCCN;YNAFVXLIVJTLPF-UHFFFAOYSA-N;143.23;0.71;;;;;DOPC;MDCG;27;1;"MARTINI bead: P2_C5";;;;;;;0.54;;-3.87;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM448099;MM448099;C=NN1CC1C=CCC#N;UQVHBRVFKNHEHD-UHFFFAOYSA-N;135.17;0.76;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP2_N0";;;;;;;0.06;;-2.21;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM448100;MM448100;CON=CCCCCCN;NNWUUEYRFVLVFU-UHFFFAOYSA-N;144.22;1.14;;;;;DOPC;MDCG;27;1;"MARTINI bead: Na_Nd";;;;;;;0.87;;-4.68;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM448101;MM448101;C=NN1CC1C=CNC=N;DVNRXIVALVGIMN-UHFFFAOYSA-N;138.17;;;;;;DOPC;MDCG;27;1;"MARTINI bead: SP2_P2";;;;;;;-1.34;;-8.17;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM448102;MM448102;CNCCCCC=NNC;JVAWWDGSZYMAAP-UHFFFAOYSA-N;143.23;0.58;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_Nd";;;;;;;0.87;;-5.24;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM448103;MM448103;C=CCC=NN1CC1C=C;ZWYRXIGRJPVBTJ-UHFFFAOYSA-N;136.2;1.42;;;;;DOPC;MDCG;27;0;"MARTINI bead: C3_SP1";;;;;;;1.74;;0.29;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM448104;MM448104;CCC=CCCCNCC;PSLPLYXELVFGDG-UHFFFAOYSA-N;141.26;2.34;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_C1";;;;;;;2.91;;-0.98;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM448105;MM448105;CCN(C)C(=O)C=CN;BUQWGABGFUJWPX-UHFFFAOYSA-N;128.18;-0.06;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_P3";;;;;;;-0.33;;-2.01;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM448106;MM448106;CCNCCCC=CCN;XRSSZVSCDAJQNB-UHFFFAOYSA-N;142.25;0.89;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_Nd";;;;;;;0.87;;-5.4;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM448107;MM448107;C=CC1CN1N=CCC#N;MOLFTFZSSYKQQV-UHFFFAOYSA-N;135.17;0.76;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP1_P1";;;;;;;-0.79;;-3.13;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM448108;MM448108;CCNCCCC=CCF;ZBDPOEJPCFLIDI-UHFFFAOYSA-N;145.22;1.9;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_C4";;;;;;;2.2;;-2.66;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM448109;MM448109;C=CCC=NN1CC1C#N;JJMWQRFDWJWMIK-UHFFFAOYSA-N;135.17;0.76;;;;;DOPC;MDCG;27;0;"MARTINI bead: N0_SP2";;;;;;;0.06;;-2.21;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM448110;MM448110;CCNCCCC=COC;FDZYCQUQGXYHSV-UHFFFAOYSA-N;143.23;1.54;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_C5";;;;;;;1.64;;-3.14;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM448111;MM448111;C#CCC=CC1CC1C=C;NUMZGKZSEVARJB-UHFFFAOYSA-N;132.21;2.39;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC4_C5";;;;;;;2.97;;0.45;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM448112;MM448112;CCNCCCC=NNC;KQPVNHXXFQJTTK-UHFFFAOYSA-N;143.23;0.58;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_Nd";;;;;;;0.87;;-5.36;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM448113;MM448113;C#CCC=CC1CC1C#N;JJTLBXQVOPCBKB-UHFFFAOYSA-N;131.18;1.73;;;;;DOPC;MDCG;27;0;"MARTINI bead: C3_SN0";;;;;;;2.87;;0.37;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM448114;MM448114;C#CCC=CC1CN1C=N;RJPKCHOENDOBCP-UHFFFAOYSA-N;134.18;0.86;;;;;DOPC;MDCG;27;1;"MARTINI bead: SP2_C5";;;;;;;0.54;;-3.79;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM448115;MM448115;CCC=CCCCOCC;LQFFIUZTFNNYSY-UHFFFAOYSA-N;142.24;2.77;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_C1";;;;;;;3.68;;0.46;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM448116;MM448116;C#CCC=CC1CN1C=O;REHMVSVCBRQZSU-UHFFFAOYSA-N;135.17;0.41;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP2_C5";;;;;;;0.54;;-1.09;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM448117;MM448117;CCOCCCC=CCN;ZYRAOCVRYBQNPQ-UHFFFAOYSA-N;143.23;1.32;;;;;DOPC;MDCG;27;1;"MARTINI bead: C5_Nd";;;;;;;1.64;;-2.14;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM448118;MM448118;C#CCC=CC1CN1N=C;QKMKSXJJORQBLL-UHFFFAOYSA-N;134.18;0.87;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP2_C5";;;;;;;0.54;;-1.09;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM448119;MM448119;CCOCCCC=CCO;AWLIXYWHFZHLKN-UHFFFAOYSA-N;144.21;1.35;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_Nda";;;;;;;1.64;;0.05;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM448120;MM448120;CCOCCCC=NOC;YQKDOYYEMUXICY-UHFFFAOYSA-N;145.2;1.44;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_Na";;;;;;;1.64;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM448121;MM448121;C#CCN=CN1CC1C#N;CLCDXLLFZDKKOO-UHFFFAOYSA-N;133.15;-0.14;;;;;DOPC;MDCG;27;0;"MARTINI bead: N0_SP2";;;;;;;0.06;;-2.21;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM448122;MM448122;C#CC1CC1C=CCCC;NXPADOZKWLDZMO-UHFFFAOYSA-N;134.22;2.61;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1_SC5";;;;;;;3.68;;0.46;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM448123;MM448123;CCC=CCCNCCC;VNMPAMDGGVFYCV-UHFFFAOYSA-N;141.26;2.34;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_C1";;;;;;;2.91;;-0.98;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM448124;MM448124;CCCNCCC=CCN;NOXICWSTXCKKNP-UHFFFAOYSA-N;142.25;0.89;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_Nd";;;;;;;0.87;;-5.41;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM448125;MM448125;C#CC1CC1C=CCCN;VSMRPIHYSBEHQV-UHFFFAOYSA-N;135.21;1.16;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_SC5";;;;;;;1.64;;-2.66;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM448126;MM448126;CCCNCCC=CCO;JIQWFFFUHGKQAX-UHFFFAOYSA-N;143.23;0.92;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_Nda";;;;;;;0.87;;-5.17;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM448127;MM448127;C#CC1CC1C=CCNC;MFXJRJVTIBBFLR-UHFFFAOYSA-N;135.21;1.03;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_SC5";;;;;;;1.64;;-2.23;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM448128;MM448128;C#CC1NC1C=CCCN;KRRLGDCTVDWPBX-UHFFFAOYSA-N;136.2;-0.14;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_SP2";;;;;;;-0.24;;-5.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM448129;MM448129;CCCNCCC=CCF;VATXGGKPTRCNJO-UHFFFAOYSA-N;145.22;1.9;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_C4";;;;;;;2.2;;-2.67;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM448130;MM448130;NCCNCCC=CCF;FXXQXJWVPRIXPT-UHFFFAOYSA-N;146.21;0.45;;;;;DOPC;MDCG;27;1;"MARTINI bead: P3_C4";;;;;;;0.23;;-3.72;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM448131;MM448131;C#CC1OC1C=CCCN;KJQYJYYJDQEIKR-UHFFFAOYSA-N;137.18;0.29;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_SNa";;;;;;;0.87;;-4.64;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM448132;MM448132;NCC=CCCNCCO;MSZSQYHINNFVKP-UHFFFAOYSA-N;144.22;-0.53;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_P2";;;;;;;-0.24;;-5.85;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM448133;MM448133;C#CC1OC1C=CCNC;ZBOLWBQVJYMQRE-UHFFFAOYSA-N;137.18;0.16;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_SNa";;;;;;;0.87;;-4.22;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM448134;MM448134;OCC=CCCNCCO;FNZOAQGOEQLECB-UHFFFAOYSA-N;145.2;-0.49;;;;;DOPC;MDCG;27;1;"MARTINI bead: P2_Nda";;;;;;;-0.24;;-5.81;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM448135;MM448135;C#CC1OC1C=NNCC;GKDITZLPMFSAKD-UHFFFAOYSA-N;138.17;-0.02;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nd_SNa";;;;;;;0.87;;-1.88;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM448136;MM448136;OCC=CCCNCCF;JJOHDKYSEZRJQL-UHFFFAOYSA-N;147.19;0.48;;;;;DOPC;MDCG;27;1;"MARTINI bead: C5_P2";;;;;;;0.54;;-2.65;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM448137;MM448137;C=NNC1CC1(F)C=O;HFNYOYVYLYMCNI-UHFFFAOYSA-N;130.12;-0.13;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNa_P2";;;;;;;-0.24;;-3.24;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM448138;MM448138;CCCNCCC=COC;YIIKCUYCYDGZGX-UHFFFAOYSA-N;143.23;1.54;;;;;DOPC;MDCG;27;1;"MARTINI bead: C5_Na";;;;;;;1.64;;-3.18;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM448139;MM448139;C#CC1CN1C=NOCC;PZVQYEAJKQOQSN-UHFFFAOYSA-N;138.17;0.28;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_SP1";;;;;;;-0.79;;-3.13;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM448140;MM448140;CCCNCCC=NNC;LLIUDEGWBDACJR-UHFFFAOYSA-N;143.23;0.58;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_Nd";;;;;;;0.87;;-4.89;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM448141;MM448141;C#CC1CN1N=CCCC;OGFVEXOZHXJQBG-UHFFFAOYSA-N;136.2;1.09;;;;;DOPC;MDCG;27;0;"MARTINI bead: N0_SP3";;;;;;;-0.8;;-2.99;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM448142;MM448142;CCCNCCC=NOC;MYNZVPJAZVQHSR-UHFFFAOYSA-N;144.22;1.01;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_Na";;;;;;;0.87;;-4.64;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM448143;MM448143;Cn1oc(N)c(N)c1=O;IFGSUTZUQWJUFV-UHFFFAOYSA-N;129.12;-0.86;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP1_SP3";;;;;;;-1.93;;-4.72;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM448144;MM448144;CCC=CCCOCCC;KSDZIJWBTBDCHB-UHFFFAOYSA-N;142.24;2.77;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_C1";;;;;;;2.91;;0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM448145;MM448145;C#CC1CC1C=CCC=C;GBQZZWJLXMPSSB-UHFFFAOYSA-N;132.21;2.39;;;;;DOPC;MDCG;27;0;"MARTINI bead: C2_SC5";;;;;;;3.6;;0.34;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM448146;MM448146;C#CC1CC1C=CCC=O;RPVRRHKCVASTON-UHFFFAOYSA-N;134.18;1.4;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_SC5";;;;;;;1.64;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM448147;MM448147;CCC=CCCOCCN;NCAYOILJVNRDGJ-UHFFFAOYSA-N;143.23;1.32;;;;;DOPC;MDCG;27;1;"MARTINI bead: C1_P2";;;;;;;1.8;;-0.94;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM448148;MM448148;NCC=CCCOCCN;WTPAZHINZVGXRM-UHFFFAOYSA-N;144.22;-0.13;;;;;DOPC;MDCG;27;1;"MARTINI bead: P2_Nd";;;;;;;-0.24;;-5.6;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM448149;MM448149;C#CC1CC1C=CCC#N;RSYBWAXAMNOPLO-UHFFFAOYSA-N;131.18;1.73;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC5_N0";;;;;;;1.94;;0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM448150;MM448150;C#CC1CC1C=CNC=N;LPHGDCXYODRFFC-UHFFFAOYSA-N;134.18;0.97;;;;;DOPC;MDCG;27;1;"MARTINI bead: P2_SC5";;;;;;;0.54;;-5.09;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM448151;MM448151;CCC=CCCOCCO;QGOZUGDFQXKWJX-UHFFFAOYSA-N;144.21;1.35;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1_P2";;;;;;;1.8;;0.4;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM448152;MM448152;C#CC1NC1C=CCC=C;ONNGLTFOBNPZLX-UHFFFAOYSA-N;133.19;1.09;;;;;DOPC;MDCG;27;0;"MARTINI bead: C2_SP3";;;;;;;0.86;;-0.3;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM448153;MM448153;NCC=CCCOCCF;GMFLNIXNYUEKHT-UHFFFAOYSA-N;147.19;0.88;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_Na";;;;;;;0.87;;-4.13;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM448154;MM448154;CCC=CCCOCOC;NHXKQRIYYQOZRX-UHFFFAOYSA-N;144.21;1.96;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1_P1";;;;;;;2.08;;0.48;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM448155;MM448155;C#CC1OC1C=CCC=C;REWCFLJHSJVBLU-UHFFFAOYSA-N;134.18;1.52;;;;;DOPC;MDCG;27;0;"MARTINI bead: C2_SNa";;;;;;;2.83;;0.35;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM448156;MM448156;COCOCCC=CCO;QYZHFKDERQWBPS-UHFFFAOYSA-N;146.19;0.55;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_C5";;;;;;;0.54;;-1.09;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM448157;MM448157;C#CC1OC1C=COC=C;NFBRAPKQJDOLPF-UHFFFAOYSA-N;136.15;1.06;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_SNa";;;;;;;0.87;;-2.22;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM448158;MM448158;CNN=CCCOCCN;GZNLJPPMHPYLDV-UHFFFAOYSA-N;145.21;-0.44;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_P2";;;;;;;-0.24;;-5.2;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM448159;MM448159;CC1=NC(=O)C(C)=C1N;UZKXFFXUJXPNAE-UHFFFAOYSA-N;124.14;0.22;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNa_SNd";;;;;;;0.87;;-1.88;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM448160;MM448160;CNN=CC(F)C(C)=CF;NZVJZUGYEOBZRD-UHFFFAOYSA-N;148.16;1.4;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_C5";;;;;;;0.54;;-1.09;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM448161;MM448161;C#CC1CN1N=CCC=C;PVXDZVOUEVIFPG-UHFFFAOYSA-N;134.18;0.87;;;;;DOPC;MDCG;27;0;"MARTINI bead: N0_SP3";;;;;;;-0.8;;-2.99;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM448162;MM448162;CCCOCCC=NOC;NNTKTSSGCGZOEQ-UHFFFAOYSA-N;145.2;1.44;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_Na";;;;;;;0.87;;-2.22;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM448163;MM448163;C#CC1CN1N=CCC#N;AFJFMUIHKZIZLG-UHFFFAOYSA-N;133.15;0.2;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP3_P1";;;;;;;-1.93;;-4.72;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM448164;MM448164;CON=CCCOCCN;GJRACHQGCSYPPT-UHFFFAOYSA-N;146.19;-0.02;;;;;DOPC;MDCG;27;1;"MARTINI bead: Na_P2";;;;;;;-0.24;;-5.28;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM448165;MM448165;C#CC1CN1N=COC=C;AWHLBZRMCPQACK-UHFFFAOYSA-N;136.15;0.41;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_SP3";;;;;;;-1.93;;-4.72;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM448166;MM448166;C#CCC=CC1NC1C#C;KQCCTNTZAGQULE-UHFFFAOYSA-N;131.18;0.54;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_SP3";;;;;;;-0.33;;-2.01;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM448167;MM448167;CON=CCCOCCF;LPMXMWKHBCQPAH-UHFFFAOYSA-N;149.17;0.99;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_Na";;;;;;;0.87;;-2.22;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM448168;MM448168;C#CCC=CC1OC1C#C;IPCQIGUEKBXTAH-UHFFFAOYSA-N;132.16;0.97;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_SNa";;;;;;;1.64;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM448169;MM448169;CCCCCN=CNNC;DENGVADZSNQWMU-UHFFFAOYSA-N;143.23;0.93;;;;;DOPC;MDCG;27;1;"MARTINI bead: C1_P3";;;;;;;0.94;;-1.79;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM448170;MM448170;CON=CNCCCCN;HELLSOZIESZEBJ-UHFFFAOYSA-N;145.21;-0.1;;;;;DOPC;MDCG;27;1;"MARTINI bead: P2_Nd";;;;;;;-0.24;;-5.64;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM448171;MM448171;C#CCN=CN1CC1C#C;DAMQPGKNAKNYTA-UHFFFAOYSA-N;132.17;-0.03;;;;;DOPC;MDCG;27;0;"MARTINI bead: N0_SP3";;;;;;;-0.8;;-2.99;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM448172;MM448172;CCNC=NCCNCC;MWSMFLAKLLHINR-UHFFFAOYSA-N;143.23;0.23;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_P1";;;;;;;0.04;;-5.93;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM448173;MM448173;CC=CC=CC1CC1CC;ATHUULXLFZBPFT-UHFFFAOYSA-N;136.24;3.16;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC3_C1";;;;;;;4.61;;0.31;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM448174;MM448174;CCNCCN=CNNC;HETYRPHRUHCKET-UHFFFAOYSA-N;144.22;-0.65;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_P3";;;;;;;-1.1;;-5.86;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM448175;MM448175;CC=NN=CC1CC1CN;UWLWHQQITSCBRJ-UHFFFAOYSA-N;139.2;0.66;;;;;DOPC;MDCG;27;1;"MARTINI bead: C3_SNd";;;;;;;2.57;;-1.51;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM448176;MM448176;CCNC=NCCOCC;SNDANUAEOGMIAX-UHFFFAOYSA-N;144.22;0.66;;;;;DOPC;MDCG;27;1;"MARTINI bead: P2_C5";;;;;;;0.54;;-4.11;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM448177;MM448177;CC=CC=CC1CC1NC;DRVDAUIZPWDWJB-UHFFFAOYSA-N;137.23;1.73;;;;;DOPC;MDCG;27;1;"MARTINI bead: SNd_C1";;;;;;;2.91;;-0.48;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM448178;MM448178;NCCCCNN=CCO;JPDBRRLYWJSVSU-UHFFFAOYSA-N;145.21;-0.71;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1_P1";;;;;;;-0.79;;-5.92;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM448179;MM448179;CC=CC=CC1OC1CN;PTENOASJOHCGLS-UHFFFAOYSA-N;139.2;0.84;;;;;DOPC;MDCG;27;1;"MARTINI bead: C1_SP2";;;;;;;1.8;;-0.88;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM448180;MM448180;CON=CNC=C(F)C#N;ULNBCYXPPQIUIL-UHFFFAOYSA-N;143.12;0.5;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_C5";;;;;;;0.54;;-1.09;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM448181;MM448181;CC=NN=CC1OC1CC;YONNQLXODXSYRO-UHFFFAOYSA-N;140.19;1.24;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNa_C5";;;;;;;1.64;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM448182;MM448182;CCC=NNCCCCF;ULSRBFDGWJFVAA-UHFFFAOYSA-N;146.21;1.72;;;;;DOPC;MDCG;27;0;"MARTINI bead: N0_Nda";;;;;;;1.17;;-1.13;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM448183;MM448183;CC=CC=CC1CN1CC;UPFUMIIBJYKBCX-UHFFFAOYSA-N;137.23;1.82;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNd_C1";;;;;;;2.91;;0.65;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM448184;MM448184;CNCCCNN=CCO;OAGXTQQIALWXAZ-UHFFFAOYSA-N;145.21;-0.84;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1_P1";;;;;;;-0.79;;-5.89;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM448185;MM448185;NCC1CN1N=CC=NO;GXHMJVDZKXIHEA-UHFFFAOYSA-N;142.16;-0.92;;;;;DOPC;MDCG;27;1;"MARTINI bead: SP2_P2";;;;;;;-1.34;;-5.86;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM448186;MM448186;CNCCCNN=CCF;GXQJDPYLIIWGNZ-UHFFFAOYSA-N;147.2;0.14;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_P1";;;;;;;0.04;;-5.39;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM448187;MM448187;C=CC1CC1C=CC=CC;YXNBCHINIKSBJM-UHFFFAOYSA-N;134.22;2.94;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1_SC4";;;;;;;4.24;;0.42;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM448188;MM448188;C#CC(C#C)NN=CCC;LTQWOWWSWCQYDB-UHFFFAOYSA-N;134.18;0.61;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nd_N0";;;;;;;1.17;;-1.04;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM448189;MM448189;CC=CC=CC1CC1C=O;FCELVZFIHKMIIP-UHFFFAOYSA-N;136.19;1.95;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1_SNa";;;;;;;2.91;;0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM448190;MM448190;CCNc1ccn(OC)n1;HSFZLHCUPCJRHI-UHFFFAOYSA-N;141.17;0.37;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNd_SNa";;;;;;;0.87;;-1.88;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM448191;MM448191;CC=CC=CC1CC1C#N;VDSNRHOVPAGBQY-UHFFFAOYSA-N;133.19;2.28;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1_SN0";;;;;;;3.21;;0.46;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM448192;MM448192;CCC=NNCCOCC;ZKOJGFUPSXWYJW-UHFFFAOYSA-N;144.22;1.01;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_Nd";;;;;;;0.87;;-1.88;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM448193;MM448193;C=CC1CC1C=NN=CC;KJXTXORTPXOPAS-UHFFFAOYSA-N;136.2;1.89;;;;;DOPC;MDCG;27;0;"MARTINI bead: C3_SC4";;;;;;;3.9;;0.47;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM448194;MM448194;CCCCCOC=CCN;DDHYNLXYRXSUHQ-UHFFFAOYSA-N;143.23;1.67;;;;;DOPC;MDCG;27;1;"MARTINI bead: C1_P1";;;;;;;2.08;;-0.58;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM448195;MM448195;CC=NN=CC1CC1C#N;QEXNKPCYQGCVFS-UHFFFAOYSA-N;135.17;1.22;;;;;DOPC;MDCG;27;0;"MARTINI bead: C3_SN0";;;;;;;2.87;;0.37;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM448196;MM448196;C=CC1NC1C=NN=CC;IGKLEGPOGPMFQM-UHFFFAOYSA-N;137.19;0.59;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_SP1";;;;;;;-0.79;;-3.13;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM448197;MM448197;CCC=COCCCCN;XGPHWNGITMLJFC-UHFFFAOYSA-N;143.23;1.67;;;;;DOPC;MDCG;27;1;"MARTINI bead: C5_Nd";;;;;;;1.64;;-2.69;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM448198;MM448198;CC=NN=CC1NC1C#N;LQVKGCCOFCCOKO-UHFFFAOYSA-N;136.16;-0.07;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_SP2";;;;;;;0.54;;-1.09;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM448199;MM448199;NCC=COCCCCN;FQLPAIVQHHFIJZ-UHFFFAOYSA-N;144.22;0.21;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_P2";;;;;;;-0.24;;-6.03;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM448200;MM448200;C=CC1OC1C=CC=CC;VNTOOUWDOLFSQK-UHFFFAOYSA-N;136.19;2.07;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1_SNa";;;;;;;2.91;;0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM448201;MM448201;NCCCCOC=CCO;SPEMJFRDELPEHW-UHFFFAOYSA-N;145.2;0.25;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1_Nda";;;;;;;0.04;;-5.5;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM448202;MM448202;N#CC1OC1C=CC=CF;IURLALXMQOGREK-UHFFFAOYSA-N;139.13;1.32;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4_SNa";;;;;;;2.2;;0.34;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM448203;MM448203;COC=COCCCCN;KTDWPCZOFMLNFX-UHFFFAOYSA-N;145.2;0.86;;;;;DOPC;MDCG;27;1;"MARTINI bead: Na_Nd";;;;;;;0.87;;-4.67;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM448204;MM448204;Cn1cc(N)cnc1=O;JMQIYZZAIABDRB-UHFFFAOYSA-N;125.13;-0.64;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP1_SP1";;;;;;;-0.79;;-3.13;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM448205;MM448205;COC=COCCCCO;YFNVMSWVUNZSSX-UHFFFAOYSA-N;146.19;0.89;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_Nda";;;;;;;0.87;;-1.99;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM448206;MM448206;C=NNC1CC1CC#N;JWKHMMPPOXYHIX-UHFFFAOYSA-N;123.16;0.49;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_SC5";;;;;;;0.54;;-1.09;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM448207;MM448207;CNCCCOC=COC;LHUCEKAJDLFNKC-UHFFFAOYSA-N;145.2;0.73;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_Na";;;;;;;0.87;;-4.77;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM448208;MM448208;C=CC1CN1C=NN=CC;KYKZXFHQIRAVJT-UHFFFAOYSA-N;137.19;0.89;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_SNd";;;;;;;0.04;;-2.63;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM448209;MM448209;CCCCCOC=NOC;JIWHXFRBCLRXQC-UHFFFAOYSA-N;145.2;1.78;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1_P2";;;;;;;1.8;;0.4;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM448210;MM448210;CC=NN=CN1CC1C#N;KRTDKOKTNIOHHD-UHFFFAOYSA-N;136.16;0.23;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_SP1";;;;;;;-0.79;;-3.13;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM448211;MM448211;CON=COCCCCN;LQNVWVPZPSYEMI-UHFFFAOYSA-N;146.19;0.33;;;;;DOPC;MDCG;27;1;"MARTINI bead: Na_P1";;;;;;;0.04;;-5.32;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM448212;MM448212;C=CC1CN1N=CC=CC;AHEINMKRCGREIS-UHFFFAOYSA-N;136.2;1.42;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_SP1";;;;;;;0.81;;-0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM448213;MM448213;CON=COCCCCF;SYFLHTJVQFFMGH-UHFFFAOYSA-N;149.17;1.34;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_C4";;;;;;;1.09;;-0.38;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM448214;MM448214;CC=CC=NN1CC1C#N;RMUUUYPGQWUUJS-UHFFFAOYSA-N;135.17;0.76;;;;;DOPC;MDCG;27;0;"MARTINI bead: C2_SP2";;;;;;;1.72;;0.27;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM448215;MM448215;CNCCCOC=NNC;NGRBXEJIFISILY-UHFFFAOYSA-N;145.21;-0.22;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_P2";;;;;;;-0.24;;-6.03;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM448216;MM448216;CNCCCOC=NOC;YWLMLOIZVVUQCG-UHFFFAOYSA-N;146.19;0.2;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nda_P2";;;;;;;-0.24;;-6.17;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM448217;MM448217;N#CC1CN1N=CC=CN;OEOHRRFRRSAEED-UHFFFAOYSA-N;136.16;-0.35;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_SP2";;;;;;;-1.34;;-4.31;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM448218;MM448218;CCNCCOC=COC;OYPKBBXQBWQBEN-UHFFFAOYSA-N;145.2;0.73;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_Na";;;;;;;0.87;;-4.27;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM448219;MM448219;C#CC1CC1C=CC=CC;DUZIDBIDEDWIFH-UHFFFAOYSA-N;132.21;2.39;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1_SC5";;;;;;;3.68;;0.46;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM448220;MM448220;CCC=COCCOCC;VQYHRCIRLUAESB-UHFFFAOYSA-N;144.21;1.96;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_C3";;;;;;;2.57;;0.45;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM448221;MM448221;C#CC1CC1C=NN=CC;RSXWNRUSNBHHSA-UHFFFAOYSA-N;134.18;1.33;;;;;DOPC;MDCG;27;0;"MARTINI bead: C3_SC5";;;;;;;3.34;;0.48;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM448222;MM448222;CCOCCOC=CCO;ZEAQPOVGFMVJGS-UHFFFAOYSA-N;146.19;0.55;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_P2";;;;;;;0.54;;-1.09;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM448223;MM448223;CC1CN1C(=O)C=CN;GTUOCJWYEUZVNT-UHFFFAOYSA-N;126.16;-0.31;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP1_P1";;;;;;;-0.79;;-3.13;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM448224;MM448224;CCOCCOC=COC;XGMNSRSVAQRHIB-UHFFFAOYSA-N;146.19;1.16;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_Na";;;;;;;0.87;;-2.22;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM448225;MM448225;C#CC1OC1C=CC=CC;YEZWOZBQVCRARZ-UHFFFAOYSA-N;134.18;1.52;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1_SNa";;;;;;;2.91;;0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM448226;MM448226;CC#CC1CN=C(C=O)N1;GZWJXCOFVFPFBH-UHFFFAOYSA-N;136.15;-0.42;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP1_SP2";;;;;;;-1.06;;-3.82;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM448227;MM448227;C#CC1CN1C=NC=NC;ZRDKFTVIDSTPKJ-UHFFFAOYSA-N;135.17;-0.01;;;;;DOPC;MDCG;27;0;"MARTINI bead: N0_SP3";;;;;;;-0.8;;-2.99;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM448228;MM448228;CCOCCOC=NOC;RGDNUKJEUXKRCS-UHFFFAOYSA-N;147.17;0.63;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_P2";;;;;;;0.54;;-1.09;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM448229;MM448229;C#CC1CN1C=NC=NO;IJGLLBMZQHOFOW-UHFFFAOYSA-N;137.14;-0.25;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_SP3";;;;;;;-1.93;;-4.72;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM448230;MM448230;NCCCCON=CCO;XNYDDFJDSPSHJH-UHFFFAOYSA-N;146.19;-0.28;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_P2";;;;;;;-0.24;;-5.93;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM448231;MM448231;N=CN(C=O)N=CCF;XWVGSEXOKZWIFS-UHFFFAOYSA-N;131.11;0.01;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_P4";;;;;;;-0.41;;-2.78;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM448232;MM448232;CC#CC=CC1CC1CC;JKZZDGAFZCIUJK-UHFFFAOYSA-N;134.22;2.61;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC3_C1";;;;;;;4.61;;0.31;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM448233;MM448233;C=CC12CC(=O)N(C)N1C2;MSRLEZIPVHGGML-UHFFFAOYSA-N;138.17;;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP3_SP2";;;;;;;-2.2;;-5.19;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM448234;MM448234;NCC=NOCCCCO;HSISADQQUOLWCW-UHFFFAOYSA-N;146.19;-0.28;;;;;DOPC;MDCG;27;1;"MARTINI bead: P2_Nda";;;;;;;-0.24;;-4.72;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM448235;MM448235;CC#CC=CC1CC1CN;OVGMRSMLACFCCS-UHFFFAOYSA-N;135.21;1.16;;;;;DOPC;MDCG;27;1;"MARTINI bead: C1_SNd";;;;;;;2.91;;-0.55;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM448236;MM448236;FCC1=NNC(CF)C1;HPGHUSOMZCPBGG-UHFFFAOYSA-N;134.13;0.64;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNda_SP1";;;;;;;0.04;;-2.73;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM448237;MM448237;C=NNC(=N)C=C(N)N;AEXSBCDWBSQGAS-UHFFFAOYSA-N;127.15;-1.07;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_P2";;;;;;;-1.34;;-4.31;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM448238;MM448238;CC#CC=CC1CC1NC;URJUMYPCYZBLEO-UHFFFAOYSA-N;135.21;1.17;;;;;DOPC;MDCG;27;1;"MARTINI bead: SNd_C4";;;;;;;2.2;;-2.13;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM448239;MM448239;CCCCCON=COC;HZVRSMIYWYRWLI-UHFFFAOYSA-N;145.2;1.78;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1_Na";;;;;;;2.91;;0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM448240;MM448240;CC#CC=CC1OC1CN;YAKBSSFYHWDULU-UHFFFAOYSA-N;137.18;0.29;;;;;DOPC;MDCG;27;1;"MARTINI bead: C4_SP2";;;;;;;1.09;;-2.32;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM448241;MM448241;CCC=NOCCCNC;XTIXHMLTPOQNJL-UHFFFAOYSA-N;144.22;1.01;;;;;DOPC;MDCG;27;1;"MARTINI bead: Na_Nd";;;;;;;0.87;;-4.77;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM448242;MM448242;CC#CC=CC1OC1CO;AVRXRLAFHFWAAJ-UHFFFAOYSA-N;138.17;0.33;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4_SP2";;;;;;;1.09;;-0.38;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM448243;MM448243;CNCCCON=CCO;XKUCCPCSFZEWIB-UHFFFAOYSA-N;146.19;-0.41;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_P2";;;;;;;-0.24;;-6.03;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM448244;MM448244;CC#CC=CC1OC1CF;OZUDHBIMMHAQRC-UHFFFAOYSA-N;140.16;1.3;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4_SNa";;;;;;;2.2;;0.34;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM448245;MM448245;CNCCCON=COC;LMZLHQLIBGHPHB-UHFFFAOYSA-N;146.19;0.2;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_P2";;;;;;;-0.24;;-6.03;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM448246;MM448246;C=CC1CC1C=CC#CC;XWYGBKUPEZCEFG-UHFFFAOYSA-N;132.21;2.39;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4_SC4";;;;;;;3.53;;0.53;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM448247;MM448247;COCCCON=CCN;UIMQHIONPVVIEK-UHFFFAOYSA-N;146.19;-0.02;;;;;DOPC;MDCG;27;1;"MARTINI bead: Na_P2";;;;;;;-0.24;;-4.64;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM448248;MM448248;CC#CC=CC1CC1C=O;JQKITCUINYEZOR-UHFFFAOYSA-N;134.18;1.4;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1_SNa";;;;;;;2.91;;0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM448249;MM448249;CN=CNN=CC(C)C;CSFPWQOALRPINI-UHFFFAOYSA-N;127.19;0.88;;;;;DOPC;MDCG;27;0;"MARTINI bead: P3_C3";;;;;;;0.6;;-0.8;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM448250;MM448250;CC#CC=CC1CC1C#N;RQUDMMZXXHLARU-UHFFFAOYSA-N;131.18;1.73;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4_SN0";;;;;;;2.5;;0.44;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM448251;MM448251;CCC=NOCCNCC;TUOBRGVSUHHLOO-UHFFFAOYSA-N;144.22;1.01;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_Na";;;;;;;0.87;;-3.35;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM448252;MM448252;C=CC1OC1C=CC#CC;JZKIFHFCMYRHRD-UHFFFAOYSA-N;134.18;1.52;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4_SNa";;;;;;;2.2;;0.34;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM448253;MM448253;CCNCCON=CCN;FMFMQIFBUSIRPP-UHFFFAOYSA-N;145.21;-0.44;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_P2";;;;;;;-0.24;;-4.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM448254;MM448254;C#CC1CC1C=CC#CC;YSXNMRYGBREGKQ-UHFFFAOYSA-N;130.19;1.84;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1_SC5";;;;;;;3.68;;0.46;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM448255;MM448255;CCNCCON=CCO;BMWRBXRJHRKWJN-UHFFFAOYSA-N;146.19;-0.41;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_P2";;;;;;;-0.24;;-4.62;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM448256;MM448256;CCCC#CC1CC1CC;YPIGJMRRAWIWJA-UHFFFAOYSA-N;136.24;2.84;;;;;DOPC;MDCG;27;0;"MARTINI bead: C3_SC3";;;;;;;4.27;;0.2;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM448257;MM448257;CCNCCON=COC;UQCWFQCGFXZWHI-UHFFFAOYSA-N;146.19;0.2;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1_Na";;;;;;;0.04;;-4;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM448258;MM448258;CCC1CC1C#CCCN;VFIDIYRAIPSGBM-UHFFFAOYSA-N;137.23;1.38;;;;;DOPC;MDCG;27;1;"MARTINI bead: SC3_Nd";;;;;;;2.57;;-1.17;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM448259;MM448259;CCOCCON=CCN;FLPWJHKPVOBHHZ-UHFFFAOYSA-N;146.19;-0.02;;;;;DOPC;MDCG;27;1;"MARTINI bead: Na_P2";;;;;;;-0.24;;-4.64;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM448260;MM448260;CCCC#CC1CC1CN;PLICWOGXQOJTCH-UHFFFAOYSA-N;137.23;1.38;;;;;DOPC;MDCG;27;1;"MARTINI bead: C3_SNd";;;;;;;2.57;;-1.49;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM448261;MM448261;N#CCONC(=N)C=O;OKQBKYZNQNUQBL-UHFFFAOYSA-N;127.1;-0.79;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_P2";;;;;;;-1.34;;-4.31;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM448262;MM448262;C#CC1=NNC(C#C)C1;YIMZCWVRGSZHCM-UHFFFAOYSA-N;118.14;-0.03;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP1_SP1";;;;;;;-0.79;;-3.13;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM448263;MM448263;CCOCCON=COC;RPKMMJLGBAELHI-UHFFFAOYSA-N;147.17;0.63;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_P2";;;;;;;0.54;;-1.09;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM448264;MM448264;CCC1CC1C#CCNC;LBYHUDGZCUGZAN-UHFFFAOYSA-N;137.23;1.26;;;;;DOPC;MDCG;27;1;"MARTINI bead: SC3_P2";;;;;;;1.46;;-1.76;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM448265;MM448265;CCCOCOC=CCO;LCCVFTAYRPJYDL-UHFFFAOYSA-N;146.19;0.89;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_Nda";;;;;;;0.87;;-1.99;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM448266;MM448266;CCCC#CC1CC1NC;PJJXDJSPGGZOJJ-UHFFFAOYSA-N;137.23;1.4;;;;;DOPC;MDCG;27;1;"MARTINI bead: C3_SNd";;;;;;;2.57;;-0.93;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM448267;MM448267;CCC=COCOCCO;VJFJELKQYNATRW-UHFFFAOYSA-N;146.19;0.89;;;;;DOPC;MDCG;27;0;"MARTINI bead: C3_P3";;;;;;;0.6;;-0.8;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM448268;MM448268;CCCC#CC1NC1CC;ROYODFIPWAFWTM-UHFFFAOYSA-N;137.23;1.54;;;;;DOPC;MDCG;27;0;"MARTINI bead: C3_SNd";;;;;;;2.57;;0.56;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM448269;MM448269;NCC=COCOCCO;UAHWCCGHVQYFDH-UHFFFAOYSA-N;147.17;-0.56;;;;;DOPC;MDCG;27;1;"MARTINI bead: P2_P1";;;;;;;-1.06;;-5.99;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM448270;MM448270;CCC1NC1C#CCCN;KQDAZJDZBQZPNR-UHFFFAOYSA-N;138.21;0.09;;;;;DOPC;MDCG;27;1;"MARTINI bead: SNd_Nd";;;;;;;0.87;;-4.54;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM448271;MM448271;FCC=COCOCCF;FSLTZXNYXKJTRE-UHFFFAOYSA-N;152.14;1.43;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_Na";;;;;;;0.87;;-2.22;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM448272;MM448272;CCCC#CC1NC1CN;UEADTZUWOGSAIK-UHFFFAOYSA-N;138.21;0.09;;;;;DOPC;MDCG;27;1;"MARTINI bead: C3_SP2";;;;;;;1.46;;-1.94;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM448273;MM448273;CCCOCOC=COC;SXNKADYBDNTWMV-UHFFFAOYSA-N;146.19;1.5;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_Na";;;;;;;0.87;;-2.22;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM448274;MM448274;NCCC#CC1NC1CO;QICCPQRZJRQMFK-UHFFFAOYSA-N;140.19;-1.33;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_SP2";;;;;;;-0.24;;-5.57;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM448275;MM448275;CNN=COCOCCN;CHWYUDJNCHYPFJ-UHFFFAOYSA-N;147.18;-0.9;;;;;DOPC;MDCG;27;1;"MARTINI bead: P2_P2";;;;;;;-1.34;;-6.34;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM448276;MM448276;CCCC#CC1NC1CF;CEVSLBASNGMUGR-UHFFFAOYSA-N;141.19;1.1;;;;;DOPC;MDCG;27;0;"MARTINI bead: C3_SP1";;;;;;;1.74;;0.29;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM448277;MM448277;C=NN=C1CC=C(F)C1;PQCWOJLUOAQTRQ-UHFFFAOYSA-N;126.13;1.69;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC5_SC5";;;;;;;2.41;;0.64;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM448278;MM448278;NCCC#CC1NC1CF;PANYQLCBHZFMEO-UHFFFAOYSA-N;142.18;-0.35;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_SP1";;;;;;;0.04;;-5.05;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM448279;MM448279;CC(=O)C(=N)NC1CC1;HUORBUCRIBSFCJ-UHFFFAOYSA-N;126.16;0.3;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_SP1";;;;;;;-1.06;;-3.82;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM448280;MM448280;CCC1NC1C#CCNC;XGDHNMUQPASTFP-UHFFFAOYSA-N;138.21;-0.04;;;;;DOPC;MDCG;27;1;"MARTINI bead: SNd_P2";;;;;;;-0.24;;-4.83;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM448281;MM448281;CON=COCOCCN;BNSGOBYFKBVXNO-UHFFFAOYSA-N;148.16;-0.47;;;;;DOPC;MDCG;27;1;"MARTINI bead: P2_P2";;;;;;;-1.34;;-6.34;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM448282;MM448282;CCCC#CC1OC1CC;MFAXXJUUSYZEQZ-UHFFFAOYSA-N;138.21;1.97;;;;;DOPC;MDCG;27;0;"MARTINI bead: C3_SNa";;;;;;;2.57;;0.45;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM448283;MM448283;CCC1OC1C#CCCN;ITQRRUIPKABYHO-UHFFFAOYSA-N;139.2;0.52;;;;;DOPC;MDCG;27;1;"MARTINI bead: SNa_Nd";;;;;;;0.87;;-4.3;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM448284;MM448284;COCOCOC=NOC;QPSMWYLBICFALV-UHFFFAOYSA-N;149.15;0.17;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_Na";;;;;;;-0.24;;-3.24;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM448285;MM448285;NCC1OC1C#CCCO;RCRPKOIJYSWUKY-UHFFFAOYSA-N;141.17;-0.9;;;;;DOPC;MDCG;27;1;"MARTINI bead: SP2_Nda";;;;;;;-0.24;;-5.27;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM448286;MM448286;CCC=NOCOCCN;PELTWLYYNCVKQS-UHFFFAOYSA-N;146.19;0.33;;;;;DOPC;MDCG;27;1;"MARTINI bead: Na_P2";;;;;;;-0.24;;-5.27;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM448287;MM448287;CCCC#CC1OC1CO;OTBRUGHRWMBJEX-UHFFFAOYSA-N;140.18;0.55;;;;;DOPC;MDCG;27;0;"MARTINI bead: C3_SP2";;;;;;;1.46;;-0.15;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM448288;MM448288;NCC=NOCOCCN;QWJGUQUHDNKBQV-UHFFFAOYSA-N;147.18;-1.12;;;;;DOPC;MDCG;27;1;"MARTINI bead: P2_P3";;;;;;;-2.2;;-7.29;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM448289;MM448289;NCCC#CC1OC1CO;JXHWLHXKWGKWDU-UHFFFAOYSA-N;141.17;-0.9;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_SP2";;;;;;;-0.24;;-5.56;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM448290;MM448290;NCCOCON=CCO;CWYRFNODEPTVBJ-UHFFFAOYSA-N;148.16;-1.09;;;;;DOPC;MDCG;27;1;"MARTINI bead: P2_P2";;;;;;;-1.34;;-6.34;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM448291;MM448291;OCCC#CC1OC1CO;DIEYMCKDHXATQI-UHFFFAOYSA-N;142.15;-0.87;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda_SP2";;;;;;;-0.24;;-3.31;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM448292;MM448292;CC=NNC=NCCC;IYKQNASVAZJLDQ-UHFFFAOYSA-N;127.19;1.02;;;;;DOPC;MDCG;27;0;"MARTINI bead: N0_Nd";;;;;;;1.17;;-1.04;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM448293;MM448293;NCCC#CC1OC1CF;GZKJKAOAIDZCGS-UHFFFAOYSA-N;143.16;0.08;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_SNa";;;;;;;0.87;;-4.3;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM448294;MM448294;CCC=NOCOCCF;ULCCNABVXDLSJX-UHFFFAOYSA-N;149.17;1.34;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_Na";;;;;;;0.87;;-2.22;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM448295;MM448295;CCC1OC1C#CCNC;JLIULVDIPISNQE-UHFFFAOYSA-N;139.2;0.39;;;;;DOPC;MDCG;27;1;"MARTINI bead: SNa_P2";;;;;;;-0.24;;-4.87;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM448296;MM448296;CCCOCON=COC;MOIKGYLGXXWPEP-UHFFFAOYSA-N;147.17;0.98;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_Na";;;;;;;0.87;;-2.22;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM448297;MM448297;CCCC#CC1CN1CC;WBMLYAQXEFLWOQ-UHFFFAOYSA-N;137.23;1.49;;;;;DOPC;MDCG;27;0;"MARTINI bead: C3_SNd";;;;;;;2.57;;0.53;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM448298;MM448298;COC=NOCOCCN;KHQZJBWYRGCOJY-UHFFFAOYSA-N;148.16;-0.47;;;;;DOPC;MDCG;27;1;"MARTINI bead: P2_P2";;;;;;;-1.34;;-6.34;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM448299;MM448299;CCN1CC1C#CCCN;OGSPFDGMIRQQPM-UHFFFAOYSA-N;138.21;0.04;;;;;DOPC;MDCG;27;1;"MARTINI bead: SNd_Nd";;;;;;;0.87;;-4.54;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM448300;MM448300;COCOCON=CCN;QIWWWZZWUFAOLA-UHFFFAOYSA-N;148.16;-0.47;;;;;DOPC;MDCG;27;1;"MARTINI bead: P2_P2";;;;;;;-1.34;;-5.72;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM448301;MM448301;N=C(C=O)NNC1CC1;UCYIJQQQLNBJGI-UHFFFAOYSA-N;127.15;-0.58;;;;;DOPC;MDCG;27;0;"MARTINI bead: P3_SP1";;;;;;;-1.93;;-4.72;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM448302;MM448302;C=CC(C)C(C)C(C)(C)O;XEUOYKRCTUMPLV-UHFFFAOYSA-N;142.24;2.22;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1_Nda";;;;;;;2.91;;0.57;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM448303;MM448303;CCN1CC1C#CCNC;HVAZQRQGRBMSST-UHFFFAOYSA-N;138.21;-0.09;;;;;DOPC;MDCG;27;1;"MARTINI bead: SNd_P2";;;;;;;-0.24;;-4.83;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM448304;MM448304;COC=NOCOCOC;MNYXOSANKOAVEF-UHFFFAOYSA-N;149.15;0.17;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_Na";;;;;;;-0.24;;-3.24;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM448305;MM448305;C=CCC#CC1CC1CC;XOMSRDBYTIVVPT-UHFFFAOYSA-N;134.22;2.61;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC3_C5";;;;;;;3.34;;0.48;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM448306;MM448306;CCC=CCNCCCC;CJKATTMBDHAGGD-UHFFFAOYSA-N;141.26;2.34;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_C1";;;;;;;2.91;;-0.31;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM448307;MM448307;CCC1CC1C#CCC=O;BWDTWFHBJLMRPZ-UHFFFAOYSA-N;136.19;1.62;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC3_Na";;;;;;;2.57;;0.45;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM448308;MM448308;CCCCNCC=CCN;CBTFQRPPQZVYQU-UHFFFAOYSA-N;142.25;0.89;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_Nd";;;;;;;0.87;;-4.82;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM448309;MM448309;CCC1CC1C#CCC#N;APJNWQGQWNFVTD-UHFFFAOYSA-N;133.19;1.95;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC3_N0";;;;;;;2.87;;0.37;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM448310;MM448310;CCC=CCNCCCO;DBFINBNMXPVIEQ-UHFFFAOYSA-N;143.23;0.92;;;;;DOPC;MDCG;27;1;"MARTINI bead: C3_P2";;;;;;;1.46;;-2.03;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM448311;MM448311;C=CCC#CC1CC1CN;AIJUFCXDAZTNJG-UHFFFAOYSA-N;135.21;1.16;;;;;DOPC;MDCG;27;1;"MARTINI bead: SNd_C5";;;;;;;1.64;;-2.67;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM448312;MM448312;CCCCNCC=COC;GUDJQPBZEKNUGH-UHFFFAOYSA-N;143.23;1.54;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_C5";;;;;;;1.64;;-2.2;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM448313;MM448313;CNC1CC1C#CCC#N;DRPZSKDIBHOKMV-UHFFFAOYSA-N;134.18;0.51;;;;;DOPC;MDCG;27;1;"MARTINI bead: SNd_N0";;;;;;;1.17;;-3.22;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM448314;MM448314;COC=CCNCCOC;KWHSARFTCGJBIQ-UHFFFAOYSA-N;145.2;0.38;;;;;DOPC;MDCG;27;1;"MARTINI bead: P2_C5";;;;;;;0.54;;-2.55;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM448315;MM448315;C=CCC#CC1CC1OC;ZFXWTPPIZQYPMS-UHFFFAOYSA-N;136.19;1.6;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNa_C3";;;;;;;2.57;;0.45;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM448316;MM448316;CNCCNCC=NOC;VLCVZSHUQZQWPF-UHFFFAOYSA-N;145.21;-0.57;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_P2";;;;;;;-0.24;;-5.3;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM448317;MM448317;C=CCC#CC1NC1CC;LYBMOKNCXJUHHC-UHFFFAOYSA-N;135.21;1.32;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNd_C5";;;;;;;1.64;;0.03;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM448318;MM448318;NCC=CCOCCCN;CBYFMDQHOOFBRO-UHFFFAOYSA-N;144.22;-0.13;;;;;DOPC;MDCG;27;1;"MARTINI bead: P2_Nd";;;;;;;-0.24;;-5.99;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM448319;MM448319;CC=NNCC(F)(F)C#N;LLCBWCBNTBSULZ-UHFFFAOYSA-N;147.13;0.74;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nd_N0";;;;;;;1.17;;-1.04;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM448320;MM448320;CCC=CCOCCCF;SOHRDSOFBWKJLE-UHFFFAOYSA-N;146.21;2.33;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_C4";;;;;;;2.97;;0.45;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM448321;MM448321;NN=CC(F)CCC(F)F;RFDIHOJZUQFAMI-UHFFFAOYSA-N;154.14;1.31;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda_N0";;;;;;;1.17;;-1.13;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM448322;MM448322;CNCCOCC=COC;RUIWDTTYDILJLK-UHFFFAOYSA-N;145.2;0.38;;;;;DOPC;MDCG;27;1;"MARTINI bead: P2_C5";;;;;;;0.54;;-3.35;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM448323;MM448323;CON=C(C)NC(=N)OC;OVIRLLIOLKMDIC-UHFFFAOYSA-N;145.16;0.14;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_P2";;;;;;;-0.24;;-3.24;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM448324;MM448324;COCCOCC=CCN;WJFKBKLJHYCBKR-UHFFFAOYSA-N;145.2;0.16;;;;;DOPC;MDCG;27;1;"MARTINI bead: Na_P1";;;;;;;0.04;;-4.78;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM448325;MM448325;CCC(=O)C(=N)NN(C)C;LKZRQJHXKRXVAU-UHFFFAOYSA-N;143.19;0.01;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_P3";;;;;;;-0.33;;-2.01;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM448326;MM448326;COC=CCOCCOC;YXARGQAESMMHAL-UHFFFAOYSA-N;146.19;0.81;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_C5";;;;;;;0.54;;-1.09;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM448327;MM448327;C#CCC#CC1CC1CC;ZTIWIMUEOLOVIK-UHFFFAOYSA-N;132.21;2.06;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC3_N0";;;;;;;2.87;;0.37;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM448328;MM448328;CCCCOCC=NNC;OAVZJGBMQOWVOV-UHFFFAOYSA-N;144.22;1.01;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4_P2";;;;;;;1.09;;-0.38;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM448329;MM448329;N=c1cc(N)oc(=O)nn1;TWTQDOLAWKHUKP-UHFFFAOYSA-N;140.1;-1.51;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP3_SP2";;;;;;;-2.2;;-5.19;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM448330;MM448330;CNN=CCOCCCN;ZIQITUYFJFCBAC-UHFFFAOYSA-N;145.21;-0.44;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_P2";;;;;;;-0.24;;-5.88;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM448331;MM448331;C#CCC#CC1CC1NC;KLOHTLPOGPVTIJ-UHFFFAOYSA-N;133.19;0.62;;;;;DOPC;MDCG;27;1;"MARTINI bead: SNd_N0";;;;;;;1.17;;-3.23;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM448332;MM448332;C=CC(C)CC(C)(O)CC;LMEZQCOGXKGWAY-UHFFFAOYSA-N;142.24;2.36;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda_C2";;;;;;;2.83;;0.57;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM448333;MM448333;C#CCC#CC1NC1CC;XNIMJIKFFUWYFB-UHFFFAOYSA-N;133.19;0.76;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNd_N0";;;;;;;1.17;;-1.04;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM448334;MM448334;CON=CCOCCCN;CTLVNXQVWIHMHD-UHFFFAOYSA-N;146.19;-0.02;;;;;DOPC;MDCG;27;1;"MARTINI bead: Na_P2";;;;;;;-0.24;;-5.95;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM448335;MM448335;C#CCC#CC1NC1CN;GPPMUWCAKYWSSA-UHFFFAOYSA-N;134.18;-0.69;;;;;DOPC;MDCG;27;1;"MARTINI bead: SP2_N0";;;;;;;0.06;;-4.12;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM448336;MM448336;CNCCOCC=NNC;YXKLYKHKGMERPC-UHFFFAOYSA-N;145.21;-0.57;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_P2";;;;;;;-0.24;;-5.43;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM448337;MM448337;CNCCOCC=NOC;VOOZLHYDTRQQMZ-UHFFFAOYSA-N;146.19;-0.15;;;;;DOPC;MDCG;27;1;"MARTINI bead: P2_Na";;;;;;;-0.24;;-5.5;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM448338;MM448338;C#CCC#CC1CN1CC;FFIWMWMOQBJXHB-UHFFFAOYSA-N;133.19;0.72;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNd_C3";;;;;;;2.57;;0.53;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM448339;MM448339;C=CC1CC1C#CCCC;GRIUFAULBSUQHH-UHFFFAOYSA-N;134.22;2.61;;;;;DOPC;MDCG;27;0;"MARTINI bead: C3_SC4";;;;;;;3.9;;0.47;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM448340;MM448340;CCN=CNOCCCN;HLEBHCYEMNTNEC-UHFFFAOYSA-N;145.21;-0.1;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_P2";;;;;;;-0.24;;-5.59;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM448341;MM448341;CNN=CNOCCCN;HRQLEEBPLVZMQX-UHFFFAOYSA-N;146.19;-0.98;;;;;DOPC;MDCG;27;1;"MARTINI bead: P2_P2";;;;;;;-1.34;;-6.73;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM448342;MM448342;CCCC#CC1CC1C#N;MVFWOTAZMKGEMS-UHFFFAOYSA-N;133.19;1.95;;;;;DOPC;MDCG;27;0;"MARTINI bead: C3_SN0";;;;;;;2.87;;0.37;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM448343;MM448343;C=CC1CC1C#CCNC;DUZJVVVRZGPUCN-UHFFFAOYSA-N;135.21;1.03;;;;;DOPC;MDCG;27;1;"MARTINI bead: P2_SC4";;;;;;;1.09;;-2.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM448344;MM448344;C=C(F)C=NNC(C)C#N;YLMPBRCSHRKKQC-UHFFFAOYSA-N;141.15;0.96;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_C5";;;;;;;0.54;;-1.09;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM448345;MM448345;CON=CNOCCCN;LCRJLXCSXZHHCQ-UHFFFAOYSA-N;147.18;-0.55;;;;;DOPC;MDCG;27;1;"MARTINI bead: P2_P2";;;;;;;-1.34;;-6.73;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM448346;MM448346;CNCC#CC1CC1C#N;JQEHNMPQQYCWCZ-UHFFFAOYSA-N;134.18;0.37;;;;;DOPC;MDCG;27;1;"MARTINI bead: P2_SN0";;;;;;;0.06;;-3.92;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM448347;MM448347;C=C(F)CC(CC)=NOC;GQMOWMXADMYGAA-UHFFFAOYSA-N;145.18;2.27;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_C5";;;;;;;1.64;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM448348;MM448348;C=CC1NC1C#CCCC;PGIHXTSDFVTWIA-UHFFFAOYSA-N;135.21;1.32;;;;;DOPC;MDCG;27;0;"MARTINI bead: C3_SP1";;;;;;;1.74;;0.29;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM448349;MM448349;C#CCC(C#N)=CN(C)C;OLUGPLLIABLZJM-UHFFFAOYSA-N;134.18;0.98;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_C5";;;;;;;0.81;;-0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM448350;MM448350;C=NOC(=N)NNCC#N;RRPLVYFIMRDPLH-UHFFFAOYSA-N;141.13;-0.83;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_P1";;;;;;;-1.06;;-3.82;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM448351;MM448351;CCOCON=CNNC;SKFRPLLPYUTFMB-UHFFFAOYSA-N;147.18;-0.34;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_P2";;;;;;;-1.06;;-3.82;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM448352;MM448352;CCCC#CC1NC1C#N;YKGCFGUCQABWBD-UHFFFAOYSA-N;134.18;0.65;;;;;DOPC;MDCG;27;0;"MARTINI bead: C3_SP2";;;;;;;1.46;;-0.15;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM448353;MM448353;C=CC=CCCCCCC;YHHHHJCAVQSFMJ-UHFFFAOYSA-N;138.25;3.7;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1_C1";;;;;;;4.95;;0.69;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM448354;MM448354;CNCC#CC1NC1C=O;YWXZIJPDTLTJCI-UHFFFAOYSA-N;138.17;-1.25;;;;;DOPC;MDCG;27;1;"MARTINI bead: P2_SP2";;;;;;;-1.34;;-5.88;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM448355;MM448355;CCCCCCC=CC=O;BSAIUMLZVGUGKX-UHFFFAOYSA-N;140.23;2.71;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1_Na";;;;;;;2.91;;0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM448356;MM448356;C=CC1OC1C#CCCN;OOLOIKLPUIAMDC-UHFFFAOYSA-N;137.18;0.29;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_SNa";;;;;;;0.87;;-4.3;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM448357;MM448357;CCCCCCC=CC#N;WOVJAWMZNOWDII-UHFFFAOYSA-N;137.23;3.04;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1_C5";;;;;;;3.68;;0.46;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM448358;MM448358;CCCC#CC1OC1C#N;VZVBRZRBWZWYJH-UHFFFAOYSA-N;135.17;1.08;;;;;DOPC;MDCG;27;0;"MARTINI bead: C3_SP1";;;;;;;1.74;;0.29;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM448359;MM448359;C=CC=CCCCCCN;JJZFXIATMRXJNM-UHFFFAOYSA-N;139.24;2.25;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_C1";;;;;;;2.91;;-0.56;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM448360;MM448360;CNCC#CC1OC1C#N;CJWLFUPKHGLZBD-UHFFFAOYSA-N;136.15;-0.5;;;;;DOPC;MDCG;27;1;"MARTINI bead: P2_SP1";;;;;;;-1.06;;-5.46;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM448361;MM448361;CC(=O)C(=N)NC1(C)CC1;DVNGCHUXWXNBED-UHFFFAOYSA-N;140.19;0.69;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_SC5";;;;;;;0.54;;-1.09;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM448362;MM448362;CCCC#CC1CN1C=N;IRMZVQIBJWYZQN-UHFFFAOYSA-N;136.2;1.08;;;;;DOPC;MDCG;27;1;"MARTINI bead: C3_SP2";;;;;;;1.46;;-1.42;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM448363;MM448363;CN=CNN=CCC(C)C;KLQVUYYIFBDQJU-UHFFFAOYSA-N;141.22;1.27;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_C3";;;;;;;1.74;;0.3;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM448364;MM448364;N=CN1CC1C#CCCN;GVAAASPGIDCECV-UHFFFAOYSA-N;137.19;-0.37;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_SP2";;;;;;;-0.24;;-5.61;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM448365;MM448365;C=CC=CCCCCCF;BVSDTJRZUINPEJ-UHFFFAOYSA-N;142.22;3.26;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4_C1";;;;;;;4.24;;0.42;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM448366;MM448366;N=CN1CC1C#CCCO;RSGYPRDQLZCJOJ-UHFFFAOYSA-N;138.17;-0.34;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nda_SP2";;;;;;;-0.24;;-4.7;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM448367;MM448367;N#CC=CCCCCCF;KZMWLWSDNNBTDP-UHFFFAOYSA-N;141.19;2.6;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4_C5";;;;;;;2.97;;0.45;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM448368;MM448368;CCCC#CC1CN1C=O;QLOBWDZCNXUOPO-UHFFFAOYSA-N;137.18;0.63;;;;;DOPC;MDCG;27;0;"MARTINI bead: C3_SP2";;;;;;;1.46;;-0.15;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM448369;MM448369;C=CC=CCCCCNC;YIDRETGPQFETBT-UHFFFAOYSA-N;139.24;2.12;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_C1";;;;;;;2.91;;-0.86;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM448370;MM448370;NCCC#CC1CN1C=O;OINGYFNBKMDHBB-UHFFFAOYSA-N;138.17;-0.82;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_SP2";;;;;;;-0.24;;-5.57;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM448371;MM448371;CNCCCCC=CC=O;YTNSMRUTJNJRBY-UHFFFAOYSA-N;141.21;1.13;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_C5";;;;;;;1.64;;-2.92;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM448372;MM448372;CNCC#CC1CN1C=N;QRLSRPSDTGICJI-UHFFFAOYSA-N;137.19;-0.5;;;;;DOPC;MDCG;27;1;"MARTINI bead: P2_SP2";;;;;;;-1.34;;-5.99;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM448373;MM448373;CNCCCCC=CC#N;LXFHXMXLWNWZOV-UHFFFAOYSA-N;138.21;1.46;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_N0";;;;;;;1.17;;-4.16;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM448374;MM448374;CNCC#CC1CN1C=O;ZIDFAWRLBOPBJV-UHFFFAOYSA-N;138.17;-0.95;;;;;DOPC;MDCG;27;1;"MARTINI bead: P2_SP2";;;;;;;-1.34;;-5.69;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM448375;MM448375;COCCCCC=CC#N;OOWQAQVXDXYHCA-UHFFFAOYSA-N;139.2;1.88;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_C5";;;;;;;1.64;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM448376;MM448376;C=NN1CC1C#CCCC;UIWQCHPVPLWCRR-UHFFFAOYSA-N;136.2;1.09;;;;;DOPC;MDCG;27;0;"MARTINI bead: C3_SP2";;;;;;;1.46;;-0.15;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM448377;MM448377;C=NN=CCCCCCN;FHYVPRNKANVRHL-UHFFFAOYSA-N;141.22;1.19;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_C5";;;;;;;1.64;;-2.7;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM448378;MM448378;C=NN1CC1C#CCCN;MLILXPZOWMLWON-UHFFFAOYSA-N;137.19;-0.36;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_SP2";;;;;;;-0.24;;-5.57;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM448379;MM448379;C=NN=CCCCCCF;AYFGGEGHFNEBIV-UHFFFAOYSA-N;144.19;2.2;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4_C5";;;;;;;2.97;;0.45;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM448380;MM448380;CC#CC(F)C=NOCC;NMDCVEAIIOTPOK-UHFFFAOYSA-N;143.16;1.37;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_C5";;;;;;;1.64;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM448381;MM448381;C=CC=CCCCNCC;OGJYXIQQZSGZLF-UHFFFAOYSA-N;139.24;2.12;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_C1";;;;;;;2.91;;-0.98;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM448382;MM448382;C=NN1CC1C#CCNC;BDCNSNWXXGCPBY-UHFFFAOYSA-N;137.19;-0.49;;;;;DOPC;MDCG;27;1;"MARTINI bead: P2_SP2";;;;;;;-1.34;;-5.98;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM448383;MM448383;CCNCCCC=CC=O;RLMNZUBQAAJMCS-UHFFFAOYSA-N;141.21;1.13;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_Na";;;;;;;0.87;;-5.03;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM448384;MM448384;C=CCC#CC1CC1C=C;XYAGAIFKBJNYJY-UHFFFAOYSA-N;132.21;2.39;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_SC4";;;;;;;2.97;;0.45;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM448385;MM448385;CCNCCCC=CC#N;GBEUPWUWIQXTTR-UHFFFAOYSA-N;138.21;1.46;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_C5";;;;;;;1.64;;-3.14;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM448386;MM448386;C=CC1CC1C#CCC=O;KFKHBZKCMKNGDJ-UHFFFAOYSA-N;134.18;1.4;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC4_Na";;;;;;;2.2;;0.34;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM448387;MM448387;C=CC=CCCCOCC;BLGZAUKWDGHCNR-UHFFFAOYSA-N;140.23;2.55;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_C1";;;;;;;3.68;;0.46;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM448388;MM448388;C=CC1CC1C#CCC#N;PBKGDXBBSWYEPW-UHFFFAOYSA-N;131.18;1.73;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC4_N0";;;;;;;2.5;;0.44;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM448389;MM448389;CCOCCCC=CC#N;QYBLYHCNBYMTAV-UHFFFAOYSA-N;139.2;1.88;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_N0";;;;;;;1.94;;0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM448390;MM448390;C=CCC#CC1CC1C#N;XNNWDXVDKVAXEA-UHFFFAOYSA-N;131.18;1.73;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_SN0";;;;;;;1.94;;0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM448391;MM448391;C=NN=CCCCOCC;QDMZGVNQXSIACP-UHFFFAOYSA-N;142.2;1.49;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_C5";;;;;;;2.41;;0.64;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM448392;MM448392;N#CCC#CC1CC1C=O;LFMNHUTXIHPABQ-UHFFFAOYSA-N;133.15;0.74;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNa_N0";;;;;;;1.17;;-1.18;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM448393;MM448393;C=CC=CCCNCCC;AXNCUNMCXMKAPU-UHFFFAOYSA-N;139.24;2.12;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_C1";;;;;;;2.91;;-0.98;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM448394;MM448394;N#CCC#CC1CC1C#N;LLSXRACZFGNHHB-UHFFFAOYSA-N;130.15;1.06;;;;;DOPC;MDCG;27;0;"MARTINI bead: N0_SN0";;;;;;;1.47;;-0.05;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM448395;MM448395;CCCNCCC=CC#N;JJCMGMSXHVTCKK-UHFFFAOYSA-N;138.21;1.46;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_N0";;;;;;;1.17;;-4.29;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM448396;MM448396;C=CCC#CC1NC1C=C;LOZJDTNSKNALMJ-UHFFFAOYSA-N;133.19;1.09;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_SP1";;;;;;;0.81;;-0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM448397;MM448397;C=CC=CCCNCCN;IZDKDOANHKKIKY-UHFFFAOYSA-N;140.23;0.67;;;;;DOPC;MDCG;27;1;"MARTINI bead: P3_C1";;;;;;;0.94;;-2.48;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM448398;MM448398;CN(CCF)C(=O)C=CN;UEDRUUUSPXHOAN-UHFFFAOYSA-N;146.17;-0.11;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_P3";;;;;;;-0.33;;-2.01;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM448399;MM448399;CCCOCCC=CC#N;KCQGNUGJVYVRFP-UHFFFAOYSA-N;139.2;1.88;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4_N0";;;;;;;2.5;;0.44;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM448400;MM448400;N#CCC#CC1NC1C#N;UFCQSVKJKKRRRE-UHFFFAOYSA-N;131.14;-0.23;;;;;DOPC;MDCG;27;0;"MARTINI bead: N0_SP2";;;;;;;0.06;;-2.21;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM448401;MM448401;COCOCCC=CC=O;ZTDPLQPYEJNDFA-UHFFFAOYSA-N;144.17;0.75;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_C5";;;;;;;0.54;;-1.09;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM448402;MM448402;C=CC1OC1C#CCC#N;VBISZZHDWAOSKT-UHFFFAOYSA-N;133.15;0.86;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNa_N0";;;;;;;1.17;;-1.18;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM448403;MM448403;C=NN=CCCOCCO;HXUIONGLNDZMRS-UHFFFAOYSA-N;144.17;0.07;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_N0";;;;;;;0.34;;-1.53;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM448404;MM448404;C=CCC#CC1CN1C=N;UZESOUIOZHHYCL-UHFFFAOYSA-N;134.18;0.86;;;;;DOPC;MDCG;27;1;"MARTINI bead: C5_SP2";;;;;;;0.54;;-2.47;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM448405;MM448405;C=NN=CCCOCOC;FVSKKYQXSWBPCW-UHFFFAOYSA-N;144.17;0.68;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_N0";;;;;;;1.17;;-1.18;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM448406;MM448406;CCCCCNC=CC#N;ZFOHOEABUKVBPD-UHFFFAOYSA-N;138.21;1.8;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1_Nd";;;;;;;2.91;;0.63;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM448407;MM448407;N=CN1CC1C#CCC=O;FIBPONDLTUVBLE-UHFFFAOYSA-N;136.15;-0.13;;;;;DOPC;MDCG;27;1;"MARTINI bead: SP2_Na";;;;;;;-0.24;;-4.63;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM448408;MM448408;N#CCC#CC1CN1C=N;FZYLPOFHJPTOJS-UHFFFAOYSA-N;133.15;0.19;;;;;DOPC;MDCG;27;1;"MARTINI bead: SP2_N0";;;;;;;0.06;;-3.59;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM448409;MM448409;O=CC=CNCCCCO;YGUOUQHSGBBNCJ-UHFFFAOYSA-N;143.19;0.06;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda_P2";;;;;;;-0.24;;-3.31;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM448410;MM448410;O=CC=CNCCCCF;ORSFCTVVPDBOOE-UHFFFAOYSA-N;145.18;1.04;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda_Na";;;;;;;0.87;;-1.99;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM448411;MM448411;C=CCC#CC1CN1C=O;DHBFODFZXXCVEN-UHFFFAOYSA-N;135.17;0.41;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_SP2";;;;;;;0.54;;-1.09;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM448412;MM448412;N#CC=CNCCCCF;XPPCAZNJZIUETI-UHFFFAOYSA-N;142.18;1.36;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_Nd";;;;;;;1.64;;0.02;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM448413;MM448413;O=CCC#CC1CN1C=O;LBCMVTLODGDAGU-UHFFFAOYSA-N;137.14;-0.58;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_SP2";;;;;;;-0.24;;-3.24;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM448414;MM448414;COCCCNC=CC#N;WDYJEMKEDOAPKV-UHFFFAOYSA-N;140.19;0.65;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_Nd";;;;;;;0.87;;-1.88;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM448415;MM448415;N#CCC#CC1CN1C=O;GFWLXBJWIDZUMI-UHFFFAOYSA-N;134.14;-0.26;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP2_N0";;;;;;;0.06;;-2.21;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM448416;MM448416;CCCCCN=CNC=N;BGXZMQHMPWFMNJ-UHFFFAOYSA-N;141.22;1.4;;;;;DOPC;MDCG;27;1;"MARTINI bead: C1_P4";;;;;;;0.85;;-2.53;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM448417;MM448417;C=CCC#CC1CN1N=C;DOZPWNVVRSATAL-UHFFFAOYSA-N;134.18;0.87;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_SP2";;;;;;;0.54;;-1.09;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM448418;MM448418;C=C(C)NC=NN=COC;BZWFQNZVIZLWNX-UHFFFAOYSA-N;141.17;0.73;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_Nd";;;;;;;0.87;;-1.88;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM448419;MM448419;C=CCN(C)C(=O)C=CN;LLCKNLZEWWGEKE-UHFFFAOYSA-N;140.19;0.1;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_N0";;;;;;;0.06;;-2.21;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM448420;MM448420;N=CNC=NCCCCF;VKZZDQUZTYPFAJ-UHFFFAOYSA-N;145.18;0.96;;;;;DOPC;MDCG;27;1;"MARTINI bead: C4_P4";;;;;;;0.15;;-4.13;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM448421;MM448421;C=NNCC=C(C)C(C)=O;RLEQRUZIQGDPCV-UHFFFAOYSA-N;140.19;0.73;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_Nd";;;;;;;0.87;;-1.88;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM448422;MM448422;CC#CCNN=CC(C)F;DGQXBRBGDMTIHH-UHFFFAOYSA-N;142.18;0.94;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nd_C5";;;;;;;1.64;;0.02;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM448423;MM448423;C#CCC#CC1CC1C=C;OSVLUHCDMXASDT-UHFFFAOYSA-N;130.19;1.84;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC4_N0";;;;;;;2.5;;0.44;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM448424;MM448424;C#CC=NN=C(C)NC=C;HNTUDSHXLNWLHE-UHFFFAOYSA-N;135.17;0.76;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_C4";;;;;;;1.37;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM448425;MM448425;C#CCC#CC1CC1C=O;BCXKBUGJDIPOQL-UHFFFAOYSA-N;132.16;0.85;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNa_C3";;;;;;;2.57;;0.45;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM448426;MM448426;C=C(CNCC#N)C(C)=O;ZWMUOJOWLYWRIM-UHFFFAOYSA-N;138.17;0.24;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_P2";;;;;;;-0.24;;-3.24;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM448427;MM448427;C#CCC#CC1CC1C#N;SRZLKPCVHOOVOW-UHFFFAOYSA-N;129.16;1.17;;;;;DOPC;MDCG;27;0;"MARTINI bead: N0_SN0";;;;;;;1.47;;-0.05;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM448428;MM448428;C=NNC=NCCCNC;QKSMFCNZEWOHCM-UHFFFAOYSA-N;142.21;-0.17;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_P2";;;;;;;-0.24;;-5.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM448429;MM448429;C#CCC#CC1NC1C=C;LMQRGXRTQXDTNG-UHFFFAOYSA-N;131.18;0.54;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP1_N0";;;;;;;0.34;;-1.53;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM448430;MM448430;COCCCN=CNC=N;PUALBKXYTMJIJJ-UHFFFAOYSA-N;143.19;0.25;;;;;DOPC;MDCG;27;1;"MARTINI bead: Na_P2";;;;;;;-0.24;;-5.26;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM448431;MM448431;C#CCC#CC1NC1C#N;DONODSGRBNSRQR-UHFFFAOYSA-N;130.15;-0.12;;;;;DOPC;MDCG;27;0;"MARTINI bead: N0_SP2";;;;;;;0.06;;-2.21;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM448432;MM448432;CCOCCNC=CC#N;IYTPXHNMPFRKRY-UHFFFAOYSA-N;140.19;0.65;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_Nd";;;;;;;0.87;;-1.88;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM448433;MM448433;C#CCC#CC1OC1C=C;RHVXISRWJLAZFC-UHFFFAOYSA-N;132.16;0.97;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNa_C3";;;;;;;2.57;;0.45;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM448434;MM448434;C=CC=NNCCCOC;LOXBKUQLSCSVQX-UHFFFAOYSA-N;142.2;0.78;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_Nd";;;;;;;0.87;;-1.88;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM448435;MM448435;C#CCC#CC1OC1C#N;YETAFHHJCORSPV-UHFFFAOYSA-N;131.13;0.3;;;;;DOPC;MDCG;27;0;"MARTINI bead: C3_SP1";;;;;;;1.74;;0.29;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM448436;MM448436;COCCCNN=CC#N;YYULYRADNIFKRZ-UHFFFAOYSA-N;141.17;0.12;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_Nd";;;;;;;0.87;;-1.88;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM448437;MM448437;C#CCC#CC1CN1C=N;APNVKDAZLTYTIZ-UHFFFAOYSA-N;132.17;0.3;;;;;DOPC;MDCG;27;1;"MARTINI bead: SP2_C3";;;;;;;1.46;;-1.42;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM448438;MM448438;C=CC=NNCCNCC;TYGXSBHMRCZPJX-UHFFFAOYSA-N;141.22;0.36;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_Nd";;;;;;;0.87;;-3.87;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM448439;MM448439;C#CCC#CC1CN1C=O;DPFXVBRTPCLOTP-UHFFFAOYSA-N;133.15;-0.15;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP2_C3";;;;;;;1.46;;-0.15;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM448440;MM448440;C=CC=NNCCOCC;LVJCHOSJSWQYAP-UHFFFAOYSA-N;142.2;0.78;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_Nd";;;;;;;0.87;;-1.88;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM448441;MM448441;C#CCC#CC1CN1N=C;VAHPETNRFHSZSQ-UHFFFAOYSA-N;132.17;0.31;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP2_C3";;;;;;;1.46;;-0.15;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM448442;MM448442;C=C(CON=CC)C(C)=O;NWVABZOUVHLTMV-UHFFFAOYSA-N;141.17;1.15;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_Na";;;;;;;0.87;;-2.22;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM448443;MM448443;C#CC1CC1C#CCCC;ALJSDOJNJVMNFZ-UHFFFAOYSA-N;132.21;2.06;;;;;DOPC;MDCG;27;0;"MARTINI bead: C3_SC5";;;;;;;3.34;;0.48;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM448444;MM448444;CCOCCNN=CC#N;HGEQMZMXNOZEGO-UHFFFAOYSA-N;141.17;0.12;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_P2";;;;;;;0.54;;-1.09;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM448445;MM448445;C#CC1CC1C#CCNC;CUXAVKFRCNKFFX-UHFFFAOYSA-N;133.19;0.48;;;;;DOPC;MDCG;27;1;"MARTINI bead: P2_SC5";;;;;;;0.54;;-2.8;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM448446;MM448446;CCCCCOC=CC#N;BFCZCUMRTCNSDM-UHFFFAOYSA-N;139.2;2.23;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1_P2";;;;;;;1.8;;0.4;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM448447;MM448447;C#CC1NC1C#CCCC;ZIQYSQWOQQPHKX-UHFFFAOYSA-N;133.19;0.76;;;;;DOPC;MDCG;27;0;"MARTINI bead: C3_SP3";;;;;;;0.6;;-0.8;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM448448;MM448448;N#CC=COCCCCO;KLSBPSDFGPCRMV-UHFFFAOYSA-N;141.17;0.81;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda_Na";;;;;;;0.87;;-1.99;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM448449;MM448449;C#CC1NC1C#CCNC;GUUSJROJLHOWOP-UHFFFAOYSA-N;134.18;-0.82;;;;;DOPC;MDCG;27;1;"MARTINI bead: P2_SP3";;;;;;;-2.2;;-6.85;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM448450;MM448450;C=CC=COCCCNC;ZFQFZMQSMLCLCY-UHFFFAOYSA-N;141.21;1.31;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_C4";;;;;;;2.2;;-2.31;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM448451;MM448451;C#CC1OC1C#CCCC;PDYOQEBAFDQRAP-UHFFFAOYSA-N;134.18;1.19;;;;;DOPC;MDCG;27;0;"MARTINI bead: C3_SNa";;;;;;;2.57;;0.45;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM448452;MM448452;C=CC=COCCCOC;XAAJWVBUAJKANT-UHFFFAOYSA-N;142.2;1.74;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_C4";;;;;;;2.2;;0.34;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM448453;MM448453;C#CC1OC1C#CCCN;CHMBQCQZIINYPD-UHFFFAOYSA-N;135.17;-0.26;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_SNa";;;;;;;0.87;;-4.3;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM448454;MM448454;COCCCOC=CC#N;ZXLYFXGNKCCLRC-UHFFFAOYSA-N;141.17;1.08;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_Na";;;;;;;0.87;;-2.22;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM448455;MM448455;C#CC1CC1C#CCC=C;XYDBCSHRDFORFH-UHFFFAOYSA-N;130.19;1.84;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_SC5";;;;;;;2.41;;0.64;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM448456;MM448456;C=NN=COCCCCC;DLKDAOLGEFZPRN-UHFFFAOYSA-N;142.2;1.84;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1_P1";;;;;;;2.08;;0.48;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM448457;MM448457;C#CC1CC1C#CCC#N;AFLLHRQAVUCNTD-UHFFFAOYSA-N;129.16;1.17;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC5_N0";;;;;;;1.94;;0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM448458;MM448458;C=NN=COCCCCN;XVDPDBPUFDMPIJ-UHFFFAOYSA-N;143.19;0.39;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_Na";;;;;;;0.87;;-4.67;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM448459;MM448459;C#CC1NC1C#CCC=C;JKUHATOYAUVXPA-UHFFFAOYSA-N;131.18;0.54;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_SP3";;;;;;;-0.33;;-2.01;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM448460;MM448460;C=NN=COCCCOC;USYJOTZQCQESBZ-UHFFFAOYSA-N;144.17;0.68;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_Na";;;;;;;0.87;;-2.22;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM448461;MM448461;CC1CC2(C)C(C1=O)N2C;UVULHZOEILKXCX-UHFFFAOYSA-N;139.2;0.67;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNd_SNa";;;;;;;0.87;;-1.88;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM448462;MM448462;C=CC=COCCNCC;CITRRXLMQXIHJM-UHFFFAOYSA-N;141.21;1.31;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_C4";;;;;;;2.2;;-1.81;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM448463;MM448463;C#CC1OC1C#CCC#N;MBHWTVSJICGMEI-UHFFFAOYSA-N;131.13;0.3;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNa_N0";;;;;;;1.17;;-1.18;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM448464;MM448464;CCNCCOC=CC#N;BDXTWUWWGGSSBT-UHFFFAOYSA-N;140.19;0.65;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_Na";;;;;;;0.87;;-4.27;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM448465;MM448465;C#CCC#CC1CC1C#C;BOGSIAOWSWZELR-UHFFFAOYSA-N;128.17;1.28;;;;;DOPC;MDCG;27;0;"MARTINI bead: N0_SC5";;;;;;;1.94;;0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM448466;MM448466;C=NN=COCCNCC;URYOVGNSTKRPFL-UHFFFAOYSA-N;143.19;0.26;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1_N0";;;;;;;0.34;;-3.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM448467;MM448467;C#CCC#CC1NC1C#C;IXHFDAXNRHJCNS-UHFFFAOYSA-N;129.16;-0.01;;;;;DOPC;MDCG;27;0;"MARTINI bead: N0_SP3";;;;;;;-0.8;;-2.99;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM448468;MM448468;C=CC=COCCOCC;WFZNKCRYWROCRK-UHFFFAOYSA-N;142.2;1.74;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_C4";;;;;;;2.2;;0.34;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM448469;MM448469;C#CCC#CC1OC1C#C;QJUSOJRJBLYIEC-UHFFFAOYSA-N;130.15;0.41;;;;;DOPC;MDCG;27;0;"MARTINI bead: N0_SNa";;;;;;;1.17;;-1.18;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM448470;MM448470;CCOCCOC=CC#N;TYHMBKUJRJBGBM-UHFFFAOYSA-N;141.17;1.08;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_Na";;;;;;;0.87;;-2.22;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM448471;MM448471;CC=CC#CC1CC1CC;ROAYNJDSOWDGLT-UHFFFAOYSA-N;134.22;2.61;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC3_C4";;;;;;;3.9;;0.47;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM448472;MM448472;C=NN=COCCOCC;AMLNUPSHKRHZDH-UHFFFAOYSA-N;144.17;0.68;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_Na";;;;;;;0.87;;-2.22;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM448473;MM448473;CC=CC#CC1CC1CN;UMBLGEROFQPFFH-UHFFFAOYSA-N;135.21;1.16;;;;;DOPC;MDCG;27;1;"MARTINI bead: C4_SNd";;;;;;;2.2;;-2.19;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM448474;MM448474;C=CC=NOCCCCC;ZKEVUFAPIPOSNQ-UHFFFAOYSA-N;141.21;2.37;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1_Na";;;;;;;2.91;;0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM448475;MM448475;CC=NNC(C)(C#N)CC;KEOCDSROGCRBBC-UHFFFAOYSA-N;139.2;1.27;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_Nd";;;;;;;1.64;;0.02;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM448476;MM448476;CCCCCON=CC=O;QMHDMQWTBLYYSZ-UHFFFAOYSA-N;143.19;1.38;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1_P1";;;;;;;2.08;;0.48;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM448477;MM448477;CC=CC#CC1CC1CF;QMGPCSBPZGCAPE-UHFFFAOYSA-N;138.19;2.17;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1_SC5";;;;;;;3.68;;0.46;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM448478;MM448478;C=CC=NOCCCCN;NFGUDGIKTDFMQK-UHFFFAOYSA-N;142.2;0.91;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_Na";;;;;;;0.87;;-4.67;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM448479;MM448479;CCC1CC1C#CC=NN;FWNAWNDBIVBAEQ-UHFFFAOYSA-N;136.2;0.98;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC3_P1";;;;;;;1.74;;0.29;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM448480;MM448480;C#CC1=NNC(C)(C#N)C1;CPPUJCLFLRVVSG-UHFFFAOYSA-N;133.15;0.25;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNd_SP1";;;;;;;0.04;;-2.63;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM448481;MM448481;CCC1CC1C#CC=NO;BKGAGCYUDCDDTB-UHFFFAOYSA-N;137.18;1.5;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC3_P1";;;;;;;1.74;;0.29;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM448482;MM448482;N#CC=NOCCCCO;CDVWUAWPNUAXPS-UHFFFAOYSA-N;142.16;0.28;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_Na";;;;;;;0.04;;-2.54;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM448483;MM448483;CC=CC#CC1NC1CC;CGVVXTMTEQLFOX-UHFFFAOYSA-N;135.21;1.32;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNd_C4";;;;;;;2.2;;0.33;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM448484;MM448484;C=CC=NOCCCNC;RMHJGVARMZVUOS-UHFFFAOYSA-N;142.2;0.78;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_Na";;;;;;;0.87;;-4.77;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM448485;MM448485;CCC1NC1C#CC=NN;GJWLZZFJXUBABS-UHFFFAOYSA-N;137.19;-0.32;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNd_P1";;;;;;;0.04;;-2.63;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM448486;MM448486;CNCCCON=CC=O;DQZYNMQHYJUAIN-UHFFFAOYSA-N;144.17;-0.2;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_P1";;;;;;;0.04;;-5.42;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM448487;MM448487;NCC1NC1C#CC=NO;NSKFYFGOAJJSDV-UHFFFAOYSA-N;139.16;-1.25;;;;;DOPC;MDCG;27;1;"MARTINI bead: SP2_P1";;;;;;;-1.06;;-5.61;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM448488;MM448488;COCCCON=CC#N;BWDRQZUTPQONTJ-UHFFFAOYSA-N;142.16;0.55;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_Na";;;;;;;0.87;;-2.22;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM448489;MM448489;CC=CC#CC1OC1CN;RATGHSRAZLEESI-UHFFFAOYSA-N;137.18;0.29;;;;;DOPC;MDCG;27;1;"MARTINI bead: C1_SP2";;;;;;;1.8;;-0.86;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM448490;MM448490;C=CC=NOCCNCC;SVFLHABKZDBXGV-UHFFFAOYSA-N;142.2;0.78;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_Na";;;;;;;0.87;;-3.35;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM448491;MM448491;CCN1CC1C#CC=NN;CVUQFOYFUSSCPY-UHFFFAOYSA-N;137.19;-0.36;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNd_P1";;;;;;;0.04;;-2.63;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM448492;MM448492;C=CC=NOCCOCC;RBEOXFJTLXQNMY-UHFFFAOYSA-N;143.19;1.21;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_Na";;;;;;;0.87;;-2.22;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM448493;MM448493;CCN1CC1C#CC=NO;BJLPLHMITIAWHY-UHFFFAOYSA-N;138.17;0.15;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNd_P1";;;;;;;0.04;;-2.63;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM448494;MM448494;CCOCCON=CC#N;CNSRSSCYQYYMEV-UHFFFAOYSA-N;142.16;0.55;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_Na";;;;;;;0.87;;-2.22;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM448495;MM448495;C=CC1CC1C#CC=CC;AUTFOPRWMCRTSX-UHFFFAOYSA-N;132.21;2.39;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4_SC4";;;;;;;3.53;;0.53;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM448496;MM448496;C=CC=COCOCCC;APUMYVNOKFPCSD-UHFFFAOYSA-N;142.2;2.09;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_C4";;;;;;;2.2;;0.34;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM448497;MM448497;CC=CC#CC1CC1C=O;CQJKFWILMHBHRI-UHFFFAOYSA-N;134.18;1.4;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4_SNa";;;;;;;2.2;;0.34;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM448498;MM448498;C=CC=COCOCCO;GJABRXIGIIPGCP-UHFFFAOYSA-N;144.17;0.67;;;;;DOPC;MDCG;27;0;"MARTINI bead: P3_C4";;;;;;;0.23;;-1.03;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM448499;MM448499;CC=CC#CC1CC1C#N;JAFYVSVFDLBMHU-UHFFFAOYSA-N;131.18;1.73;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4_SN0";;;;;;;2.5;;0.44;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM448500;MM448500;C=CC=COCOCOC;ZDJXKXUFAIJOJR-UHFFFAOYSA-N;144.17;1.28;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_C4";;;;;;;1.09;;-0.38;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM448501;MM448501;C=CC1CC1C#CC=NN;JPQYXZFBYIKTBF-UHFFFAOYSA-N;134.18;0.76;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_SC4";;;;;;;1.37;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM448502;MM448502;COCOCOC=CC=O;XYTYMLFYWKODAI-UHFFFAOYSA-N;146.14;0.29;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_Na";;;;;;;-0.24;;-3.24;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM448503;MM448503;C=CC1NC1C#CC=CC;WQALMBKLCXUKOL-UHFFFAOYSA-N;133.19;1.09;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4_SP1";;;;;;;1.37;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM448504;MM448504;CCCOCON=CC#N;RKOQZKGCILCZGT-UHFFFAOYSA-N;142.16;0.9;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_Na";;;;;;;0.87;;-2.22;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM448505;MM448505;C=CC1NC1C#CC=NN;GENZRZKBRFFSIJ-UHFFFAOYSA-N;135.17;-0.54;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_SP1";;;;;;;-0.79;;-3.13;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM448506;MM448506;C=CC=NOCOCCN;WOOBTRBBAABZHV-UHFFFAOYSA-N;144.17;0.11;;;;;DOPC;MDCG;27;1;"MARTINI bead: P2_Na";;;;;;;-0.24;;-5.27;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM448507;MM448507;N#CC1NC1C#CC=NO;XEUQOAQBHQIICH-UHFFFAOYSA-N;135.13;-0.69;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_SP2";;;;;;;-1.06;;-3.82;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM448508;MM448508;C=NNC(CF)C(=O)OC;FAHKBCJZYNCHHB-UHFFFAOYSA-N;148.14;-0.3;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_P1";;;;;;;0.04;;-2.54;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM448509;MM448509;C=CC1OC1C#CC=NO;DSVYXWWOIKEXSF-UHFFFAOYSA-N;137.14;0.4;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_SNa";;;;;;;0.04;;-2.54;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM448510;MM448510;COCOCON=CC#N;WSAQSQFAEICLCN-UHFFFAOYSA-N;144.13;0.09;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_Na";;;;;;;-0.24;;-3.24;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM448511;MM448511;CC=CC#CC1CN1C=N;VOQVIFWNEAWSGK-UHFFFAOYSA-N;134.18;0.86;;;;;DOPC;MDCG;27;1;"MARTINI bead: C4_SP2";;;;;;;1.09;;-1.72;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM448512;MM448512;CCCCNCC=CC=O;PNRBFJUJJSQUDW-UHFFFAOYSA-N;141.21;1.13;;;;;DOPC;MDCG;27;1;"MARTINI bead: C1_P2";;;;;;;1.8;;-1.14;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM448513;MM448513;CC=CC#CC1CN1C=O;JXZFMCQNTWPRHR-UHFFFAOYSA-N;135.17;0.41;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1_SP2";;;;;;;1.8;;0.4;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM448514;MM448514;CCCCNCC=CC#N;JXSBXXATEIGTGX-UHFFFAOYSA-N;138.21;1.46;;;;;DOPC;MDCG;27;1;"MARTINI bead: C1_P1";;;;;;;2.08;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM448515;MM448515;N=CN1CC1C#CC=NN;WHYJLEVAWSREEG-UHFFFAOYSA-N;136.16;-0.77;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1_SP2";;;;;;;-1.06;;-5.2;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM448516;MM448516;C=CC=CCNCCCN;TWQBONMNVOMFAN-UHFFFAOYSA-N;140.23;0.67;;;;;DOPC;MDCG;27;1;"MARTINI bead: P3_C1";;;;;;;0.94;;-2.38;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM448517;MM448517;NN=CC#CC1CN1C=O;SSMSBUJTFNOHKW-UHFFFAOYSA-N;137.14;-1.23;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_SP2";;;;;;;-1.06;;-3.82;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM448518;MM448518;N#CC=CCNCCCF;SMZPGYREMUYOOO-UHFFFAOYSA-N;142.18;1.02;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1_N0";;;;;;;0.34;;-2.73;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM448519;MM448519;C=CC=CCNCCNC;YOQBYJFLXHBMPX-UHFFFAOYSA-N;140.23;0.54;;;;;DOPC;MDCG;27;1;"MARTINI bead: P3_C1";;;;;;;0.94;;-2.01;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM448520;MM448520;C=NN1CC1C#CC=CC;NDNLASRWCJFWJL-UHFFFAOYSA-N;134.18;0.87;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4_SP2";;;;;;;1.09;;-0.38;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM448521;MM448521;C=NN1CC1C#CC=NN;WEROZLDBIZTSOI-UHFFFAOYSA-N;136.16;-0.77;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_SP2";;;;;;;-1.06;;-3.82;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM448522;MM448522;CCCCOCC=CC#N;BZMIIQQDTWFNPT-UHFFFAOYSA-N;139.2;1.88;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4_N0";;;;;;;2.5;;0.44;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM448523;MM448523;C#CC1CC1C#CC=CC;XYARIQLRBKQYOA-UHFFFAOYSA-N;130.19;1.84;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4_SC5";;;;;;;2.97;;0.45;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM448524;MM448524;C=CC=CCOCCCN;ZLQNEJONYZNEJA-UHFFFAOYSA-N;141.21;1.09;;;;;DOPC;MDCG;27;1;"MARTINI bead: P2_C1";;;;;;;1.8;;-1.6;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM448525;MM448525;C#CC1CC1C#CC=NN;AWBQKIYBDIKVMC-UHFFFAOYSA-N;132.17;0.2;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_SC5";;;;;;;0.81;;-0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM448526;MM448526;N#CC=CCOCCCO;YFLGAIXUAPPLCT-UHFFFAOYSA-N;141.17;0.47;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_N0";;;;;;;0.34;;-1.53;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM448527;MM448527;CNCCOCC=CC#N;LLDQNSITNNKBNW-UHFFFAOYSA-N;140.19;0.3;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1_N0";;;;;;;0.34;;-3.81;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM448528;MM448528;C#CC1NC1C#CC=CC;VMYRPWMBUFPMFB-UHFFFAOYSA-N;131.18;0.54;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4_SP3";;;;;;;0.23;;-1.03;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM448529;MM448529;C=NN=CCOCCCO;MVTFCLJWRUKTEM-UHFFFAOYSA-N;144.17;0.07;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_N0";;;;;;;0.34;;-1.53;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM448530;MM448530;C#CC1NC1C#CC=NN;LVGICOMOPRDXRC-UHFFFAOYSA-N;133.15;-1.09;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_SP3";;;;;;;-1.93;;-4.72;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM448531;MM448531;C=NN=CCOCCNC;LFGDKHKEEVQVGJ-UHFFFAOYSA-N;143.19;-0.09;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1_Na";;;;;;;0.04;;-4.81;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM448532;MM448532;C#CC1NC1C#CC=NO;KXVLFIOOLUMNAZ-UHFFFAOYSA-N;134.14;-0.58;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_SP3";;;;;;;-1.93;;-4.72;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM448533;MM448533;C=NN=CCOCCOC;SYULSSLNPNQHLZ-UHFFFAOYSA-N;144.17;0.34;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_N0";;;;;;;1.17;;-1.18;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM448534;MM448534;C#CC1OC1C#CC=CC;RHVVMPSXXFULCX-UHFFFAOYSA-N;132.16;0.97;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4_SNa";;;;;;;2.2;;0.34;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM448535;MM448535;CCOCOCC=CC#N;FHOHTWMEVJCJNA-UHFFFAOYSA-N;141.17;1.08;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_N0";;;;;;;1.17;;-1.18;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM448536;MM448536;CC#CC#CC1CC1CC;OZCQQVVMQFGDOD-UHFFFAOYSA-N;132.21;2.06;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC3_C1";;;;;;;4.61;;0.31;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM448537;MM448537;C=NN=CCOCOCC;JYSJMGBRJAMZMS-UHFFFAOYSA-N;144.17;0.68;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_N0";;;;;;;1.17;;-1.18;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM448538;MM448538;CC#CC#CC1CC1CN;VDYDBMQXDDGJJW-UHFFFAOYSA-N;133.19;0.61;;;;;DOPC;MDCG;27;1;"MARTINI bead: C1_SNd";;;;;;;2.91;;-0.53;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM448539;MM448539;CC#CC#CC1CC1CO;VXRIJMPMNKMOIV-UHFFFAOYSA-N;134.18;0.64;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1_SNda";;;;;;;2.91;;0.57;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM448540;MM448540;COCCON=CNC=O;ZEJXGWRGJVTWBW-UHFFFAOYSA-N;146.15;-0.66;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_P4";;;;;;;-1.19;;-4.76;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM448541;MM448541;C=CC(C)C(=NC)NN=C;WBTNTDQWNCBWCE-UHFFFAOYSA-N;139.2;1.04;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_C4";;;;;;;1.37;;-0.05;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM448542;MM448542;CC#CC#CC1CC1NC;ARDGNUZORSBOCH-UHFFFAOYSA-N;133.19;0.62;;;;;DOPC;MDCG;27;1;"MARTINI bead: SNd_C1";;;;;;;2.91;;0.08;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM448543;MM448543;CC#CC#CC1CC1OC;KRVSQZGDHGOSSF-UHFFFAOYSA-N;134.18;1.05;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNa_C1";;;;;;;2.91;;0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM448544;MM448544;C#CC=CCCCCCC;OMLUZGAUTCIZLU-UHFFFAOYSA-N;136.24;3.15;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1_C2";;;;;;;4.87;;0.53;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM448545;MM448545;CC#CC#CC1NC1CC;ZHUKMQNHOOWBOW-UHFFFAOYSA-N;133.19;0.76;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNd_C1";;;;;;;2.91;;0.64;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM448546;MM448546;C#CC=CCCCCCN;FIXQWPKKYBKNNI-UHFFFAOYSA-N;137.23;1.69;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_C4";;;;;;;2.2;;-2.22;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM448547;MM448547;CC#CC#CC1NC1CN;JIBISHGJAFELGA-UHFFFAOYSA-N;134.18;-0.69;;;;;DOPC;MDCG;27;1;"MARTINI bead: C1_SP2";;;;;;;1.8;;-0.82;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM448548;MM448548;C=NNC(C)=C(C#N)C#N;JPBBTLOBLKHVRF-UHFFFAOYSA-N;134.14;0.51;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_P2";;;;;;;0.54;;-1.09;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM448549;MM448549;C#CC(C)(CF)NN=CC;GPCCGVNQXPWDJV-UHFFFAOYSA-N;142.18;0.94;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nd_Na";;;;;;;0.87;;-1.88;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM448550;MM448550;C#CC=CCCCCNC;JMTVPIMDGMHVHK-UHFFFAOYSA-N;137.23;1.57;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_C4";;;;;;;2.2;;-2.54;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM448551;MM448551;CC#CC#CC1OC1CC;IINDCJIWFLKDGK-UHFFFAOYSA-N;134.18;1.19;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNa_C1";;;;;;;2.91;;0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM448552;MM448552;C#CC=CCCCNCC;BFKAERSESXHQGW-UHFFFAOYSA-N;137.23;1.57;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_C4";;;;;;;2.2;;-2.66;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM448553;MM448553;CC#CC#CC1OC1CN;XMAOQXYQUIYLOS-UHFFFAOYSA-N;135.17;-0.26;;;;;DOPC;MDCG;27;1;"MARTINI bead: C1_SP2";;;;;;;1.8;;-0.86;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM448554;MM448554;C#CC=CCCCOCC;JUJKHZNWJCBZBT-UHFFFAOYSA-N;138.21;1.99;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_C4";;;;;;;2.97;;0.45;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM448555;MM448555;CC#CC#CC1OC1CO;COVJLXGXVUAOBI-UHFFFAOYSA-N;136.15;-0.23;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1_SP2";;;;;;;1.8;;0.4;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM448556;MM448556;C#CC=CCCNCCN;PAJNBYHXVXJDJK-UHFFFAOYSA-N;138.21;0.11;;;;;DOPC;MDCG;27;1;"MARTINI bead: P3_C4";;;;;;;0.23;;-3.72;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM448557;MM448557;CC#CC#CC1CN1CC;GFLOTSFLTAOGBV-UHFFFAOYSA-N;133.19;0.72;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNd_C1";;;;;;;2.91;;0.63;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM448558;MM448558;C#CC=CCCOCCC;ZYWXMCQGEIIGFK-UHFFFAOYSA-N;138.21;1.99;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_C4";;;;;;;2.2;;0.34;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM448559;MM448559;C=CC1CC1C#CC#CC;WJBXTRTXWCKVFU-UHFFFAOYSA-N;130.19;1.84;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1_SC4";;;;;;;4.24;;0.42;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM448560;MM448560;C#CC=CCCOCCN;KCNBPNSFTLIVCY-UHFFFAOYSA-N;139.2;0.54;;;;;DOPC;MDCG;27;1;"MARTINI bead: P3_C2";;;;;;;0.86;;-2.2;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM448561;MM448561;CC#CC#CC1CC1C=O;HHWZZDITKPAZOD-UHFFFAOYSA-N;132.16;0.85;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1_SNa";;;;;;;2.91;;0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM448562;MM448562;C#CC=CCCOCCF;SEUYNSAOUZNNAJ-UHFFFAOYSA-N;142.17;1.55;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_C4";;;;;;;2.2;;0.34;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM448563;MM448563;CC#CC#CC1CC1C#N;SAWGYCPKTDDQMS-UHFFFAOYSA-N;129.16;1.17;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1_SN0";;;;;;;3.21;;0.46;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM448564;MM448564;C#CC=NNCCCNC;OMJOYENPCQLWBL-UHFFFAOYSA-N;139.2;-0.2;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_P1";;;;;;;0.04;;-5.39;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM448565;MM448565;C=CC1NC1C#CC#CC;FMZWWVKNXXOKOL-UHFFFAOYSA-N;131.18;0.54;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1_SP1";;;;;;;2.08;;0.48;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM448566;MM448566;C#CC=COCCCNC;GAPWODNZDXRAJE-UHFFFAOYSA-N;139.2;0.76;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_N0";;;;;;;1.17;;-3.93;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM448567;MM448567;CC1(CF)CN=C(C=O)N1;WNPQZQKXTTXJAN-UHFFFAOYSA-N;144.15;-0.08;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP1_SP2";;;;;;;-1.06;;-3.82;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM448568;MM448568;C#CC=COCCNCC;LJDNDFYLJIFGGQ-UHFFFAOYSA-N;139.2;0.76;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_N0";;;;;;;1.17;;-3.42;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM448569;MM448569;CCC(=CF)NC(=N)C#N;BKCWRSJEVMRVEJ-UHFFFAOYSA-N;141.15;1.3;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_C3";;;;;;;1.46;;-0.15;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM448570;MM448570;C#CC=NOCCCCC;GEIRJSUSXHPFAI-UHFFFAOYSA-N;139.2;1.81;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1_P1";;;;;;;2.08;;0.48;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM448571;MM448571;C=CC1OC1C#CC#CC;RWCNUPXJGYOUJF-UHFFFAOYSA-N;132.16;0.97;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1_SNa";;;;;;;2.91;;0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM448572;MM448572;C#CC=NOCCCOC;HYDPMDWONZJBTN-UHFFFAOYSA-N;141.17;0.66;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_Na";;;;;;;0.87;;-2.22;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM448573;MM448573;CC#CC#CC1OC1C=O;AQUYALRREDUNJM-UHFFFAOYSA-N;134.13;-0.02;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1_SP2";;;;;;;1.8;;0.4;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM448574;MM448574;C#CC=NOCCOCC;SWPJRZYXDLTTTK-UHFFFAOYSA-N;141.17;0.66;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_Na";;;;;;;0.87;;-2.22;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM448575;MM448575;CC#CC#CC1OC1C#N;VEIOZGNMUOIANW-UHFFFAOYSA-N;131.13;0.3;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1_SP1";;;;;;;2.08;;0.48;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM448576;MM448576;C#CC=NOCOCCC;GACVTPAGFJNUOR-UHFFFAOYSA-N;141.17;1.01;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_Na";;;;;;;0.87;;-2.22;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM448577;MM448577;CC#CC#CC1CN1C=N;JKJXAOOMNKXUKV-UHFFFAOYSA-N;132.17;0.3;;;;;DOPC;MDCG;27;1;"MARTINI bead: C1_SP2";;;;;;;1.8;;-0.31;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM448578;MM448578;C#CC=CCNCCCC;GVWOUAOWSCBSLH-UHFFFAOYSA-N;137.23;1.57;;;;;DOPC;MDCG;27;1;"MARTINI bead: C1_Nd";;;;;;;2.91;;-0.24;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM448579;MM448579;CC#CC#CC1CN1C=O;NXLHSDSQYFOCMZ-UHFFFAOYSA-N;133.15;-0.15;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1_SP2";;;;;;;1.8;;0.4;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM448580;MM448580;C#CC=CCNCCCN;NHXLXLILKKWZCN-UHFFFAOYSA-N;138.21;0.11;;;;;DOPC;MDCG;27;1;"MARTINI bead: P3_C4";;;;;;;0.23;;-3.6;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM448581;MM448581;C=NN1CC1C#CC#CC;MSVFNEDRTGEKIG-UHFFFAOYSA-N;132.17;0.31;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1_SP2";;;;;;;1.8;;0.4;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM448582;MM448582;C#CC=CCNCCCF;VOQTWGSLWRBSNN-UHFFFAOYSA-N;141.19;1.13;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1_C4";;;;;;;1.37;;-2.02;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM448583;MM448583;C#CC1CC1C#CC#CC;PWTJPYLBTHHBQV-UHFFFAOYSA-N;128.17;1.28;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1_SC5";;;;;;;3.68;;0.46;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM448584;MM448584;C#CC=CCNCCNC;MWXIEEZYSCWCNW-UHFFFAOYSA-N;138.21;-0.02;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1_Nd";;;;;;;0.04;;-4.85;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM448585;MM448585;C#CC=CCOCCCO;KIUVAGLLUBZEPY-UHFFFAOYSA-N;140.18;0.57;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda_Na";;;;;;;0.87;;-1.99;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM448586;MM448586;C#CC1NC1C#CC#CC;IJJUUKZJOWMCPZ-UHFFFAOYSA-N;129.16;-0.01;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4_SP3";;;;;;;0.23;;-1.03;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM448587;MM448587;C#CC1OC1C#CC#CC;YJDVKHZISURAKO-UHFFFAOYSA-N;130.15;0.41;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1_SNa";;;;;;;2.91;;0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM448588;MM448588;C#CC=CCOCCNC;QKSCSLXSCROFAD-UHFFFAOYSA-N;139.2;0.41;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1_N0";;;;;;;0.34;;-3.81;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM448589;MM448589;C=CCCCCC=CCC;JUPMWCAFONXQNU-UHFFFAOYSA-N;138.25;3.7;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1_C1";;;;;;;4.95;;0.69;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM448590;MM448590;N#CC(CO)=C(F)C(=O)O;KYXOHDPZTUWLFP-UHFFFAOYSA-N;145.09;-0.19;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_Nda";;;;;;;-0.24;;-8.49;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM448591;MM448591;C=CCCCCC=CCN;ZDQBPCOMESAJSA-UHFFFAOYSA-N;139.24;2.25;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_C1";;;;;;;2.91;;-0.08;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM448592;MM448592;O=c1[nH]ncnnc1=NO;VHBHEUPKSVUZEV-UHFFFAOYSA-N;141.09;-2.15;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP3_SP4";;;;;;;-3.15;;-6.87;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM448593;MM448593;CCC=CCCCCC=O;RTNPCOBSXBGDMO-UHFFFAOYSA-N;140.23;2.71;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1_C5";;;;;;;3.68;;0.46;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM448594;MM448594;N#CC1(C#N)NC1C(=O)O;LGWPRMMAHKPUIT-UHFFFAOYSA-N;137.1;-1.17;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_SP2";;;;;;;-1.06;;-9.09;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM448595;MM448595;CCC=CCCCCC#N;HWVWCKLNHVPAQP-UHFFFAOYSA-N;137.23;3.04;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1_P1";;;;;;;2.08;;0.48;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM448596;MM448596;O=CC(C=O)C(=O)C=CF;SPROAHCMBDFCIV-UHFFFAOYSA-N;144.1;0.05;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_Na";;;;;;;0.87;;-8.57;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM448597;MM448597;O=CCCCCC=CCO;OTUAGZORDRNTLI-UHFFFAOYSA-N;142.2;1.29;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_Na";;;;;;;1.64;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM448598;MM448598;O=c1o[nH]nc1OCCF;QSHKIEVQNLCLBS-UHFFFAOYSA-N;148.09;-0.29;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP2_SP2";;;;;;;-1.34;;-9.64;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM448599;MM448599;COC=CCCCCC#N;LPKOBPBKBHRASY-UHFFFAOYSA-N;139.2;2.23;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_N0";;;;;;;1.94;;0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM448600;MM448600;O=c1o[nH]nc1OC1CC1;ISRCMJIONKIUIH-UHFFFAOYSA-N;142.11;-0.1;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP2_SP1";;;;;;;-1.06;;-9.09;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM448601;MM448601;C=CCCCCC=NNC;RNNNZIQMTHSYAA-UHFFFAOYSA-N;140.23;1.94;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_C1";;;;;;;1.8;;0.4;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM448602;MM448602;N#CC(O)C(=CN)C(=O)O;WFAUSGFRGHIJHH-UHFFFAOYSA-N;142.11;-1.2;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_P1";;;;;;;-1.06;;-9.09;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM448603;MM448603;CNN=CCCCCC#N;SKQPXTSBDDOTQU-UHFFFAOYSA-N;139.2;1.28;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nd_N0";;;;;;;1.17;;-1.04;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM448604;MM448604;CN=c1[nH]c(C#N)nn1O;LFYBDUVNQOILIO-UHFFFAOYSA-N;139.12;-1.15;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP3_SP1";;;;;;;-1.93;;-9.1;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM448605;MM448605;NCC=CCCCNC=O;PKJOTAIFSIMOMZ-UHFFFAOYSA-N;142.2;0.03;;;;;DOPC;MDCG;27;1;"MARTINI bead: C5_P3";;;;;;;-0.33;;-4.22;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM448606;MM448606;O=c1nn[nH]nc1F;ODZNXPKFYXDJQA-UHFFFAOYSA-N;116.06;-1.3;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP2_SP2";;;;;;;-1.34;;-9.64;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM448607;MM448607;CNC1=CC(=O)C(=O)C=N1;TZMSHNGIXLCOFK-UHFFFAOYSA-N;138.13;-0.73;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNd_SP1";;;;;;;0.04;;-2.63;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM448608;MM448608;N=c1cc[nH]ccc1=NN;HYZCMCKDPDWSLU-UHFFFAOYSA-N;136.16;-0.73;;;;;DOPC;MDCG;27;1;"MARTINI bead: SP1_SP1";;;;;;;-0.79;;-6.13;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM448609;MM448609;C=NNCCCC=CCN;URZAJXPBNQUGDJ-UHFFFAOYSA-N;141.22;0.49;;;;;DOPC;MDCG;27;1;"MARTINI bead: C5_P2";;;;;;;0.54;;-3.32;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM448610;MM448610;O=c1nn[nH]oc1=O;QYUVTLBBNSBOAS-UHFFFAOYSA-N;115.05;-1.88;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP2_SP2";;;;;;;-1.34;;-9.64;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM448611;MM448611;CNN=CCCCNC=N;QZULXCXBLRJJSR-UHFFFAOYSA-N;142.21;0.17;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_P2";;;;;;;-0.24;;-7.56;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM448612;MM448612;ON=c1[nH]c(=NO)n(O)[nH]1;QQEXSJZMDWJDRQ-UHFFFAOYSA-N;147.09;-2.04;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP5_SP3";;;;;;;-3.08;;-10.29;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM448613;MM448613;C=NNCCCC=NOC;WJSFXGZMCMQNLI-UHFFFAOYSA-N;143.19;0.6;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_Nd";;;;;;;0.87;;-1.88;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM448614;MM448614;O=c1o[nH]nc1OC=CF;GJWNTGXCYLRHNO-UHFFFAOYSA-N;146.08;0.18;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNa_SP2";;;;;;;-0.24;;-8.67;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM448615;MM448615;C=COCCCC=CCC;VEFZNWHWDITDMN-UHFFFAOYSA-N;140.23;2.89;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1_C5";;;;;;;3.68;;0.46;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM448616;MM448616;NN=c1[nH]c(=NO)nno1;DKSINUVYLBLPQQ-UHFFFAOYSA-N;144.09;-2.54;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP3_SP3";;;;;;;-3.07;;-10.29;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM448617;MM448617;C=NOCCCC=CCN;AOORMTVTOYOCLY-UHFFFAOYSA-N;142.2;0.91;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_Na";;;;;;;0.87;;-4.13;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM448618;MM448618;O=c1oc(O)noc1=NO;COEPLENGOHSEPY-UHFFFAOYSA-N;146.06;-1.38;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP2_SP3";;;;;;;-2.2;;-9.64;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM448619;MM448619;C=COCCCC=NOC;RQASPNDILNGPTQ-UHFFFAOYSA-N;143.19;1.56;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_C5";;;;;;;1.64;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM448620;MM448620;CC(CCCCN)C1CC1;BGLHRWPSSOVFKA-UHFFFAOYSA-N;141.26;2.16;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_SC3";;;;;;;2.57;;-1.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM448621;MM448621;C=NOCCCC=NNC;KCGAMQAZTXOZPQ-UHFFFAOYSA-N;143.19;0.6;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nd_Na";;;;;;;0.87;;-1.88;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM448622;MM448622;C#CC1(C=C)CC(C)=NN1;JVBSQYNFJPTMQM-UHFFFAOYSA-N;134.18;0.91;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP1_SNd";;;;;;;0.04;;-2.63;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM448623;MM448623;C=CCNCCC=CCC;QCKPFGGZHLZRIU-UHFFFAOYSA-N;139.24;2.12;;;;;DOPC;MDCG;27;1;"MARTINI bead: C1_Nd";;;;;;;2.91;;-0.25;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM448624;MM448624;NC(CCCCO)C1CC1;HRPCCSPAYOLNTM-UHFFFAOYSA-N;143.23;0.89;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nda_SNd";;;;;;;0.87;;-4.99;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM448625;MM448625;C=CCNCCC=CCN;UXRGNJIPTFNZFW-UHFFFAOYSA-N;140.23;0.67;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_Nd";;;;;;;0.87;;-4.78;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM448626;MM448626;CCOCCC(O)C1CC1;HZMYZIYZUWVMDQ-UHFFFAOYSA-N;144.21;1.18;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_SNda";;;;;;;1.64;;0.05;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM448627;MM448627;CCC=CCCNCC#N;KBWRCHVVJACJRF-UHFFFAOYSA-N;138.21;1.46;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1_P3";;;;;;;0.94;;0.04;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM448628;MM448628;CC(CNCCN)C1CC1;LLMLEGIQIAXKCZ-UHFFFAOYSA-N;142.25;0.58;;;;;DOPC;MDCG;27;1;"MARTINI bead: P3_SC3";;;;;;;0.6;;-3.62;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM448629;MM448629;CCC=CCCNNC=N;HHHONEJTAHNULV-UHFFFAOYSA-N;141.22;1.04;;;;;DOPC;MDCG;27;1;"MARTINI bead: C1_P4";;;;;;;0.85;;-3.4;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM448630;MM448630;CC(CNCCO)C1CC1;ZGDPZFNRQKSXSC-UHFFFAOYSA-N;143.23;0.61;;;;;DOPC;MDCG;27;1;"MARTINI bead: P2_SC3";;;;;;;1.46;;-2.76;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM448631;MM448631;CC(CNCCF)C1CC1;NATZTMZPFHGYDO-UHFFFAOYSA-N;145.22;1.59;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1_SC3";;;;;;;1.74;;-1.17;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM448632;MM448632;N=CNNCCC=CCN;NQUAFSKTBFMELF-UHFFFAOYSA-N;142.21;-0.41;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_P4";;;;;;;-1.19;;-7.72;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM448633;MM448633;CCCNCC(N)C1CC1;WVMHTUZJTXWETL-UHFFFAOYSA-N;142.25;0.72;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_SNd";;;;;;;0.87;;-5.1;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM448634;MM448634;CNc1c[nH]c(N=N)c1C;NSEQFPCCNGUERH-UHFFFAOYSA-N;138.17;2.03;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNd_SNd";;;;;;;0.87;;-2.11;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM448635;MM448635;NCCNCC(N)C1CC1;MZMZITKTQDMJDQ-UHFFFAOYSA-N;143.23;-0.73;;;;;DOPC;MDCG;27;1;"MARTINI bead: P3_SNd";;;;;;;-1.1;;-6.58;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM448636;MM448636;CC=NNC=NCCCC;DBKLMDTXPYFFGP-UHFFFAOYSA-N;141.22;1.41;;;;;DOPC;MDCG;27;0;"MARTINI bead: C3_Nd";;;;;;;2.57;;0.54;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM448637;MM448637;CCCOCC(N)C1CC1;GQMCSTRRQCUUCE-UHFFFAOYSA-N;143.23;1.15;;;;;DOPC;MDCG;27;1;"MARTINI bead: Na_SNd";;;;;;;0.87;;-4.26;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM448638;MM448638;C=CCOCCC=CCC;URXKWFQRCJODEE-UHFFFAOYSA-N;140.23;2.55;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1_Na";;;;;;;2.91;;0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM448639;MM448639;NC(COCCO)C1CC1;FPQVNMLEPDEXSD-UHFFFAOYSA-N;145.2;-0.27;;;;;DOPC;MDCG;27;1;"MARTINI bead: P2_SNd";;;;;;;-0.24;;-5.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM448640;MM448640;C=CCOCCC=CCO;ZRFJHSCBJLOLGY-UHFFFAOYSA-N;142.2;1.13;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda_C5";;;;;;;1.64;;0.05;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM448641;MM448641;COCOCC(C)C1CC1;VOOKEBNUPUHZOU-UHFFFAOYSA-N;144.21;1.65;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_SC3";;;;;;;1.74;;0.29;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM448642;MM448642;CCC=CCCOCC#N;GZNNIFOYSNEDMD-UHFFFAOYSA-N;139.2;1.88;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1_P1";;;;;;;2.08;;0.48;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM448643;MM448643;CC(NCCCF)C1CC1;FKPYORYCBTVDSL-UHFFFAOYSA-N;145.22;1.73;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1_SC3";;;;;;;1.74;;-2.38;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM448644;MM448644;O=CCOCCC=CCF;IHXUXMSOWXROAB-UHFFFAOYSA-N;146.16;1.12;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4_P1";;;;;;;1.37;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM448645;MM448645;CCNCCN(C)C1CC1;LSKAOHXZNAXIOA-UHFFFAOYSA-N;142.25;0.69;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_SNd";;;;;;;0.87;;-4.74;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM448646;MM448646;N#CCOCCC=CCF;VJSNFJLBXGKFLQ-UHFFFAOYSA-N;143.16;1.44;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4_P1";;;;;;;1.37;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM448647;MM448647;CCOCCN(C)C1CC1;FUUKUGRGRFZDLF-UHFFFAOYSA-N;143.23;1.12;;;;;DOPC;MDCG;27;1;"MARTINI bead: C5_SNd";;;;;;;1.64;;-1.42;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM448648;MM448648;C=CCOCCC=COC;FLLWIBFURZVZCZ-UHFFFAOYSA-N;142.2;1.74;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_C5";;;;;;;1.64;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM448649;MM448649;CC(CCCCN)C1CN1;JJHRUKDTGSPDTO-UHFFFAOYSA-N;142.25;0.72;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_SNd";;;;;;;0.87;;-4.92;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM448650;MM448650;COC=CCCOCC#N;UOBHSLQRPHZPAF-UHFFFAOYSA-N;141.17;1.08;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_Na";;;;;;;0.87;;-2.22;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM448651;MM448651;NC(CCCCO)C1CN1;LCUPDBCUASMOQK-UHFFFAOYSA-N;144.22;-0.55;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nda_SP2";;;;;;;-0.24;;-5.54;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM448652;MM448652;C=CCOCCC=NNC;ANMLEQIOJCKXRR-UHFFFAOYSA-N;142.2;0.78;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_C5";;;;;;;0.54;;-1.09;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM448653;MM448653;NC(CCCCF)C1CN1;CWXZRCSDPRHUHL-UHFFFAOYSA-N;146.21;0.43;;;;;DOPC;MDCG;27;1;"MARTINI bead: C4_SP2";;;;;;;1.09;;-2.57;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM448654;MM448654;N=CNOCCC=CCF;OBIHVSSKFFKWDN-UHFFFAOYSA-N;146.17;1.03;;;;;DOPC;MDCG;27;1;"MARTINI bead: C4_P3";;;;;;;0.23;;-2.81;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM448655;MM448655;CCOCCC(N)C1CN1;OZSOMKNQXOEFKU-UHFFFAOYSA-N;144.22;-0.29;;;;;DOPC;MDCG;27;1;"MARTINI bead: C5_SP2";;;;;;;0.54;;-3.24;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM448656;MM448656;CCC=CCCONC=O;JWDPFCQKVPRHPZ-UHFFFAOYSA-N;143.19;1.02;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1_P4";;;;;;;0.85;;-0.64;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM448657;MM448657;CC(CNCCN)C1CN1;PHYRLZLZOYLOFH-UHFFFAOYSA-N;143.23;-0.86;;;;;DOPC;MDCG;27;1;"MARTINI bead: P3_SNd";;;;;;;-1.1;;-6.28;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM448658;MM448658;O=CNOCCC=CCO;PNDJOIOJDVGIHO-UHFFFAOYSA-N;145.16;-0.4;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_P4";;;;;;;-0.41;;-2.78;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM448659;MM448659;CC(CNCCO)C1CN1;XMYJPIUGZZIQIZ-UHFFFAOYSA-N;144.22;-0.82;;;;;DOPC;MDCG;27;1;"MARTINI bead: P2_SNd";;;;;;;-0.24;;-5.55;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM448660;MM448660;COC=CCCONC=O;JAOONZDSSCXLBV-UHFFFAOYSA-N;145.16;0.21;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_P1";;;;;;;0.04;;-2.54;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM448661;MM448661;CCCNCC(N)C1CN1;ZFOYBXAFOCKFTM-UHFFFAOYSA-N;143.23;-0.71;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_SP2";;;;;;;-0.24;;-5.36;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM448662;MM448662;CNN=CNCCCC=O;YPVDUBJCERKHKE-UHFFFAOYSA-N;143.19;-0.28;;;;;DOPC;MDCG;27;1;"MARTINI bead: P3_C5";;;;;;;-0.33;;-3.41;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM448663;MM448663;CCOCCC(C)C1CO1;PTHKQZMNXYZFPX-UHFFFAOYSA-N;144.21;1.45;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_SNa";;;;;;;1.64;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM448664;MM448664;CNN=CNCCNC=O;ZWRUVJIPLKEYEF-UHFFFAOYSA-N;144.18;-1.52;;;;;DOPC;MDCG;27;1;"MARTINI bead: P2_P3";;;;;;;-2.2;;-6.29;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM448665;MM448665;CC(CNCCN)C1CO1;IXYWRQFFNGJMLU-UHFFFAOYSA-N;144.22;-0.43;;;;;DOPC;MDCG;27;1;"MARTINI bead: P3_SNa";;;;;;;-1.1;;-6.89;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM448666;MM448666;C=NOCCNC=NOC;IVHIWZXLEZLYTM-UHFFFAOYSA-N;145.16;-0.2;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_Na";;;;;;;-0.24;;-3.24;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM448667;MM448667;CCNCCC(C)N1CC1;HVWVIQCWMKGZII-UHFFFAOYSA-N;142.25;0.69;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_SNd";;;;;;;0.87;;-4.95;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM448668;MM448668;CC=CNC=NN=COC;XXYNGMZYSNFOLS-UHFFFAOYSA-N;141.17;0.73;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_Nd";;;;;;;0.87;;-1.88;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM448669;MM448669;CC(CNCCN)N1CC1;QBKIQQGYNVZRJW-UHFFFAOYSA-N;143.23;-0.76;;;;;DOPC;MDCG;27;1;"MARTINI bead: P3_SNd";;;;;;;-1.1;;-6.38;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM448670;MM448670;C=CC=NNC=NC=CC;KJIOOMGKMNXRAM-UHFFFAOYSA-N;137.19;1.31;;;;;DOPC;MDCG;27;0;"MARTINI bead: N0_Nd";;;;;;;1.17;;-1.04;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM448671;MM448671;CCCOCC(C)N1CC1;HGKRXHUXGYWFCH-UHFFFAOYSA-N;143.23;1.12;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_SNd";;;;;;;0.87;;-1.88;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM448672;MM448672;CONC(=N)C#N;PJWKCKIBBFLISZ-UHFFFAOYSA-N;99.09;-0.36;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_P1";;;;;;;-1.06;;-3.82;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM448673;MM448673;C=CCCCC(C)C1CC1;HQZPDSCINSJIQO-UHFFFAOYSA-N;138.25;3.39;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1_SC3";;;;;;;4.61;;0.31;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM448674;MM448674;N=CNCCNN=CCO;KRLQHSOSBWZEON-UHFFFAOYSA-N;144.18;-1.25;;;;;DOPC;MDCG;27;1;"MARTINI bead: P2_P2";;;;;;;-1.34;;-8.42;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM448675;MM448675;C=CCCCC(N)C1CC1;LWOVWZSPTBNAMM-UHFFFAOYSA-N;139.24;2.08;;;;;DOPC;MDCG;27;1;"MARTINI bead: C1_SNd";;;;;;;2.91;;-0.82;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM448676;MM448676;N=CNCCNN=CCF;MXMUYTFXBWWBJS-UHFFFAOYSA-N;146.17;-0.27;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1_P2";;;;;;;-1.06;;-7.92;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM448677;MM448677;CC(CCNC=N)C1CC1;YXAWOMKPYJTMGH-UHFFFAOYSA-N;140.23;1.62;;;;;DOPC;MDCG;27;1;"MARTINI bead: P2_SC3";;;;;;;1.46;;-4.37;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM448678;MM448678;N#CC1CC=NN1;AUHPWQMVWBEVIM-UHFFFAOYSA-N;95.11;-0.14;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP1_SP1";;;;;;;-0.79;;-3.13;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM448679;MM448679;C=NNCCC(C)C1CC1;YADVWWPCJTVJFT-UHFFFAOYSA-N;140.23;1.63;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nd_SC3";;;;;;;2.57;;0.53;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM448680;MM448680;CC(=O)C(C)=C(N)N;FYMKJVLAYKFLNE-UHFFFAOYSA-N;114.15;-0.28;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_P4";;;;;;;-1.19;;-4.76;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM448681;MM448681;C=COCCC(C)C1CC1;UBLODNWFBYTJEV-UHFFFAOYSA-N;140.23;2.58;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_SC3";;;;;;;3.34;;0.48;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM448682;MM448682;C=C1CC(C)C(C)(O)C1;AHBMWNVVWYYELW-UHFFFAOYSA-N;126.2;1.72;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC4_SC5";;;;;;;2.97;;0.45;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM448683;MM448683;CC(CNCC=O)C1CC1;LHAADYNUSDSTCG-UHFFFAOYSA-N;141.21;0.82;;;;;DOPC;MDCG;27;1;"MARTINI bead: P2_SC3";;;;;;;1.46;;-1.45;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM448684;MM448684;C=C1CCC(C)(O)C1C;ATIKQWYCDMZOMJ-UHFFFAOYSA-N;126.2;1.72;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC3_SNda";;;;;;;2.57;;0.44;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM448685;MM448685;CC(CNCC#N)C1CC1;IHTCVOOCNYGLRW-UHFFFAOYSA-N;138.21;1.15;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_SC3";;;;;;;1.46;;-0.14;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM448686;MM448686;C=C1CCC(O)(CC)C1;GGHGJNYCWFICMF-UHFFFAOYSA-N;126.2;1.87;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC5_SC4";;;;;;;2.97;;0.45;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM448687;MM448687;C=NOCCNN=CCC;FCVPEVLTPARTMT-UHFFFAOYSA-N;143.19;0.6;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nd_Na";;;;;;;0.87;;-1.88;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM448688;MM448688;CC(COCC=O)C1CC1;KFGIGQSSWQKSRR-UHFFFAOYSA-N;142.2;1.25;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_SC3";;;;;;;1.74;;0.29;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM448689;MM448689;C=CCCCOC=CCC;HSRURRCCEXYLAX-UHFFFAOYSA-N;140.23;2.89;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_C1";;;;;;;3.68;;0.46;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM448690;MM448690;C=CCOCC(N)C1CC1;OEPVMWDPOIOVSX-UHFFFAOYSA-N;141.21;0.93;;;;;DOPC;MDCG;27;1;"MARTINI bead: Na_SNd";;;;;;;0.87;;-4.25;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM448691;MM448691;COC=COCCCC#N;MZILUUWRWQPWRS-UHFFFAOYSA-N;141.17;1.42;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_P1";;;;;;;0.81;;-0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM448692;MM448692;CN(CCNC=N)C1CC1;MPVOAQDYZGPSRC-UHFFFAOYSA-N;141.22;0.28;;;;;DOPC;MDCG;27;1;"MARTINI bead: P2_SNd";;;;;;;-0.24;;-7.31;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM448693;MM448693;C=CNC(C)=NN=CC;LBHXNZAFTQDLBF-UHFFFAOYSA-N;125.18;1.14;;;;;DOPC;MDCG;27;0;"MARTINI bead: C3_P1";;;;;;;1.74;;0.29;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM448694;MM448694;CC(CNCC=O)C1CN1;BZEAKRRPZRDCOX-UHFFFAOYSA-N;142.2;-0.62;;;;;DOPC;MDCG;27;1;"MARTINI bead: P2_SNd";;;;;;;-0.24;;-4.26;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM448695;MM448695;C=CCCCOC=NOC;AHXJWMDUOZJTNM-UHFFFAOYSA-N;143.19;1.56;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_C1";;;;;;;1.8;;0.4;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM448696;MM448696;C=CCOCC(N)C1CN1;XNYWCNRYROAJKJ-UHFFFAOYSA-N;142.2;-0.51;;;;;DOPC;MDCG;27;1;"MARTINI bead: Na_SP2";;;;;;;-0.24;;-4.76;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM448697;MM448697;CON=C(C=CN)NN;HPOBUXBHHREWIN-UHFFFAOYSA-N;130.15;-1.12;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_P2";;;;;;;-1.06;;-3.82;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM448698;MM448698;CC(CONC=N)C1CN1;DDQBMLKGGZTQMT-UHFFFAOYSA-N;143.19;-0.28;;;;;DOPC;MDCG;27;1;"MARTINI bead: P3_SNd";;;;;;;-1.1;;-5.74;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM448699;MM448699;CCC=COCCNC=N;IRZBDFGUQNTUIQ-UHFFFAOYSA-N;142.2;1.12;;;;;DOPC;MDCG;27;1;"MARTINI bead: C3_P3";;;;;;;0.6;;-4.47;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM448700;MM448700;CC(NCCC=O)C1CN1;MUVXKIAXYKUJSU-UHFFFAOYSA-N;142.2;-0.47;;;;;DOPC;MDCG;27;1;"MARTINI bead: P3_SNd";;;;;;;-1.1;;-5.63;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM448701;MM448701;N=CNCCOC=CCN;MBMNDOGUJCRYCA-UHFFFAOYSA-N;143.19;-0.33;;;;;DOPC;MDCG;27;1;"MARTINI bead: P2_P2";;;;;;;-1.34;;-8.23;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM448702;MM448702;CC(CONC=N)C1CO1;AYJHPRMBBKOTPR-UHFFFAOYSA-N;144.17;0.15;;;;;DOPC;MDCG;27;1;"MARTINI bead: P3_SNa";;;;;;;-1.1;;-5.98;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM448703;MM448703;N#CCN1CCC(=O)C1;FGZXTUQTJSYFTO-UHFFFAOYSA-N;124.14;-0.22;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP2_SNd";;;;;;;-0.24;;-3.16;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM448704;MM448704;C#CCCCC(C)C1CC1;IDHCSMXGGIYIIH-UHFFFAOYSA-N;136.24;2.84;;;;;DOPC;MDCG;27;0;"MARTINI bead: C3_SC3";;;;;;;4.27;;0.2;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM448705;MM448705;NCC=COCCNC=O;FDKYHXODHDORNL-UHFFFAOYSA-N;144.17;-0.78;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1_P3";;;;;;;-1.93;;-6.86;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM448706;MM448706;C#CCNCC(C)C1CC1;JQJYZGMLFHIDDK-UHFFFAOYSA-N;137.23;1.26;;;;;DOPC;MDCG;27;1;"MARTINI bead: P2_SC3";;;;;;;1.46;;-2.15;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM448707;MM448707;COC=COCCNC=N;DQIHDQCYNWMDHJ-UHFFFAOYSA-N;144.17;0.32;;;;;DOPC;MDCG;27;1;"MARTINI bead: C5_P3";;;;;;;-0.33;;-5.75;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM448708;MM448708;C#CCNCC(O)C1CC1;FMMOGRZENJZRNP-UHFFFAOYSA-N;139.2;-0.02;;;;;DOPC;MDCG;27;1;"MARTINI bead: P2_SNda";;;;;;;-0.24;;-4.71;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM448709;MM448709;C=CC=NNC=NC=C;FEDVVBCDQYAZLC-UHFFFAOYSA-N;123.16;0.92;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nd_N0";;;;;;;1.17;;-1.04;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM448710;MM448710;C#CCOCC(O)C1CC1;JPVNTBDAAMTVQO-UHFFFAOYSA-N;140.18;0.41;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_SNda";;;;;;;0.87;;-1.99;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM448711;MM448711;C=CNC(C)=NN=C(C)C;DNSTXVUUFAKBNB-UHFFFAOYSA-N;139.2;1.53;;;;;DOPC;MDCG;27;0;"MARTINI bead: N0_Nd";;;;;;;1.17;;-1.04;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM448712;MM448712;C#CCCCN(C)C1CC1;GWTPBFVIEGEJRJ-UHFFFAOYSA-N;137.23;1.49;;;;;DOPC;MDCG;27;1;"MARTINI bead: C3_SNd";;;;;;;2.57;;-1.14;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM448713;MM448713;C=COCCOC=CCO;YEUCGCOCCSCENT-UHFFFAOYSA-N;144.17;0.67;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_C5";;;;;;;0.54;;-1.09;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM448714;MM448714;C#CCNCC(C)C1CN1;BUBXWBRBARUCGQ-UHFFFAOYSA-N;138.21;-0.18;;;;;DOPC;MDCG;27;1;"MARTINI bead: P2_SNd";;;;;;;-0.24;;-4.93;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM448715;MM448715;NCC=COCCOC=O;TYCVDNPDHUMFGU-UHFFFAOYSA-N;145.16;-0.35;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1_P1";;;;;;;-0.79;;-5.31;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM448716;MM448716;C#CCNCC(O)C1CN1;VKGOYIOLJYCLAS-UHFFFAOYSA-N;140.19;-1.46;;;;;DOPC;MDCG;27;1;"MARTINI bead: P2_SP2";;;;;;;-1.34;;-5.35;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM448717;MM448717;C=COCCOC=COC;BJFVOXIVPSAAQK-UHFFFAOYSA-N;144.17;1.28;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_C5";;;;;;;0.81;;-0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM448718;MM448718;C#CCNCC(C)C1CO1;VJLYLTMLHIKWPY-UHFFFAOYSA-N;139.2;0.24;;;;;DOPC;MDCG;27;1;"MARTINI bead: P2_SNa";;;;;;;-0.24;;-5.15;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM448719;MM448719;C=NOCCOC=CCF;FREAONNOOXFDFM-UHFFFAOYSA-N;147.15;1.12;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_P1";;;;;;;0.81;;-0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM448720;MM448720;C=C(CCOCC)C1CC1;OPUUCWJYJLZOAK-UHFFFAOYSA-N;140.23;2.38;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_SC4";;;;;;;2.97;;0.45;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM448721;MM448721;C=C(F)CONC(=N)C#N;JDSWMJSVIFEDGD-UHFFFAOYSA-N;143.12;0.49;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_P2";;;;;;;0.54;;-1.09;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM448722;MM448722;C=C(CNCCC)C1CC1;SNQPREIKTYOORB-UHFFFAOYSA-N;139.24;1.95;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_SC4";;;;;;;2.2;;-2.08;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM448723;MM448723;C=COCCOC=NOC;REKWNRAWDYTPBI-UHFFFAOYSA-N;145.16;0.75;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_C5";;;;;;;0.54;;-1.09;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM448724;MM448724;C=C(CNCCC)C1CN1;ZMOWAWWWEJRUEP-UHFFFAOYSA-N;140.23;0.51;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_SP1";;;;;;;0.04;;-4.92;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM448725;MM448725;C#CC(CC(=C)F)=NOC;JVMRZQDUSNZEQE-UHFFFAOYSA-N;141.15;1.5;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_C5";;;;;;;1.64;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM448726;MM448726;NCCCCC(=O)N1CC1;BVRXYJKUZFQVTR-UHFFFAOYSA-N;142.2;-0.04;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_SP2";;;;;;;-0.24;;-5.65;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM448727;MM448727;CCC=NOCCNC=N;LQEGBHQSABQERF-UHFFFAOYSA-N;143.19;0.6;;;;;DOPC;MDCG;27;1;"MARTINI bead: C4_P3";;;;;;;0.23;;-4.8;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM448728;MM448728;CCCOCC(=O)N1CC1;SQSFTTXVGYQZFN-UHFFFAOYSA-N;143.19;0.26;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_SP2";;;;;;;-0.24;;-3.24;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM448729;MM448729;N=CNCCON=CCN;KGTFPMHBYACQRY-UHFFFAOYSA-N;144.18;-0.86;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1_P3";;;;;;;-1.93;;-8.37;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM448730;MM448730;C=CCCCC(=N)N1CC1;YASJMBBZMIIRMQ-UHFFFAOYSA-N;138.21;1.64;;;;;DOPC;MDCG;27;1;"MARTINI bead: C1_SP2";;;;;;;1.8;;-3.1;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM448731;MM448731;N=CNCCON=CCO;BQRQMXDDBPMSPI-UHFFFAOYSA-N;145.16;-0.82;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1_P3";;;;;;;-1.93;;-8.37;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM448732;MM448732;C=CCOCC(=N)N1CC1;PFLRYNPKGBCHNC-UHFFFAOYSA-N;140.19;0.48;;;;;DOPC;MDCG;27;1;"MARTINI bead: Na_SP2";;;;;;;-0.24;;-6.15;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM448733;MM448733;NCC=NOCCNC=O;AXRCPLAOFHSRAE-UHFFFAOYSA-N;145.16;-1.31;;;;;DOPC;MDCG;27;1;"MARTINI bead: P2_P3";;;;;;;-2.2;;-6.59;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM448734;MM448734;N#CCOCC(=N)N1CC1;ONGYKPKLSGKYSZ-UHFFFAOYSA-N;139.16;-0.18;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1_SP2";;;;;;;-1.06;;-6.71;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM448735;MM448735;C=NN=CCC#CC(C)=O;TUZWDHQCUXCGRG-UHFFFAOYSA-N;136.15;0.66;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_C5";;;;;;;1.64;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM448736;MM448736;C=CCOCC(=O)N1CC1;GCTHYGVJDCQHJN-UHFFFAOYSA-N;141.17;0.03;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_SP2";;;;;;;-0.24;;-3.24;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM448737;MM448737;C=COCCON=CCN;YMWAHSOJDUNTFJ-UHFFFAOYSA-N;144.17;0.11;;;;;DOPC;MDCG;27;1;"MARTINI bead: P2_Na";;;;;;;-0.24;;-4.64;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM448738;MM448738;N#CCOCC(=O)N1CC1;CMDGOBVNFUSNOE-UHFFFAOYSA-N;140.14;-0.63;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_SP2";;;;;;;-1.06;;-3.82;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM448739;MM448739;C=CNC(C)=NN=CCC;IMKPPRDTCNTEEB-UHFFFAOYSA-N;139.2;1.53;;;;;DOPC;MDCG;27;0;"MARTINI bead: N0_Nd";;;;;;;1.17;;-1.04;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM448740;MM448740;C#CCCCC(=C)C1CC1;VWWUBRVPXOWAKX-UHFFFAOYSA-N;134.22;2.76;;;;;DOPC;MDCG;27;0;"MARTINI bead: C3_SC4";;;;;;;3.9;;0.47;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM448741;MM448741;C=COCCON=COC;YMQZQIMMCRTTGA-UHFFFAOYSA-N;145.16;0.75;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_C5";;;;;;;0.54;;-1.09;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM448742;MM448742;C#CCOCC(=N)N1CC1;NOUVALCKZLUJMN-UHFFFAOYSA-N;138.17;-0.07;;;;;DOPC;MDCG;27;1;"MARTINI bead: Na_SP2";;;;;;;-0.24;;-6.13;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM448743;MM448743;C=CC=NN=C(C)NC=C;XOBJMYMHVNGSDO-UHFFFAOYSA-N;137.19;1.31;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nd_N0";;;;;;;1.17;;-1.04;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM448744;MM448744;C#CCOCC(=O)N1CC1;MMMKSLJBEAKNGW-UHFFFAOYSA-N;139.15;-0.52;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_SP2";;;;;;;-0.24;;-3.24;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM448745;MM448745;CCC=COCOCC=O;JQPOBFZKGGJKGO-UHFFFAOYSA-N;144.17;1.1;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_P1";;;;;;;0.81;;-0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM448746;MM448746;C#CCCNC(=O)N1CC1;MIATURHIFJBQBX-UHFFFAOYSA-N;138.17;0.03;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nd_SP2";;;;;;;-0.24;;-3.16;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM448747;MM448747;CCC=COCOCC#N;ACPAODNGEOMXMJ-UHFFFAOYSA-N;141.17;1.42;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_P1";;;;;;;0.81;;-0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM448748;MM448748;CC=CCCC(N)C1CC1;NLCJIUQMKGDEGT-UHFFFAOYSA-N;139.24;2.08;;;;;DOPC;MDCG;27;1;"MARTINI bead: C1_SNd";;;;;;;2.91;;-0.81;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM448749;MM448749;N#CCOCOC=CCO;KCHLOHFRIRILBO-UHFFFAOYSA-N;143.14;0.01;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda_P2";;;;;;;-0.24;;-3.31;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM448750;MM448750;C=NN=CC(F)C#CCC;XTAIPHIDIXRZRJ-UHFFFAOYSA-N;140.16;1.42;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4_N0";;;;;;;2.5;;0.44;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM448751;MM448751;COC=COCOCC=O;BGWUMYQIZZEKKX-UHFFFAOYSA-N;146.14;0.29;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_P2";;;;;;;-0.24;;-3.24;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM448752;MM448752;CC(CCC=NN)C1CC1;JWLYSPBKAMFRAW-UHFFFAOYSA-N;140.23;1.76;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nd_SC3";;;;;;;2.57;;0.53;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM448753;MM448753;CCC=COCONC=N;YHSZUCQSDODINP-UHFFFAOYSA-N;144.17;1.01;;;;;DOPC;MDCG;27;1;"MARTINI bead: C3_P4";;;;;;;0.52;;-3.09;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM448754;MM448754;N=CNOCOC=CCN;AGCGLPIYLHUXRX-UHFFFAOYSA-N;145.16;-0.44;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1_P2";;;;;;;-1.06;;-6.09;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM448755;MM448755;CN=CNCC(C)C1CC1;LYOFFYITEPYYCY-UHFFFAOYSA-N;140.23;1.28;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1_SC3";;;;;;;1.74;;-3.07;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM448756;MM448756;N=CNOCOC=CCO;KASUIKAUVABVON-UHFFFAOYSA-N;146.15;-0.41;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nda_P4";;;;;;;-1.19;;-6.4;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM448757;MM448757;CC=NNCC(C)C1CC1;LHVZTXVXKUABKR-UHFFFAOYSA-N;140.23;1.63;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nd_SC3";;;;;;;2.57;;0.53;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM448758;MM448758;N=CNOCOC=CCF;WNEYVOYZDIGTLS-UHFFFAOYSA-N;148.14;0.57;;;;;DOPC;MDCG;27;1;"MARTINI bead: C5_P4";;;;;;;-0.41;;-4.3;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM448759;MM448759;CC=COCC(C)C1CC1;LTTQATAYTMRJQQ-UHFFFAOYSA-N;140.23;2.58;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_SC3";;;;;;;3.34;;0.48;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM448760;MM448760;CCC=COCONC=O;RGQOTWYIWMDEKL-UHFFFAOYSA-N;145.16;0.56;;;;;DOPC;MDCG;27;0;"MARTINI bead: C3_P4";;;;;;;0.52;;-1.59;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM448761;MM448761;CC=COCC(O)C1CC1;VCBPXOUPOHETQX-UHFFFAOYSA-N;142.2;1.31;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_SNda";;;;;;;1.64;;0.05;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM448762;MM448762;O=CNOCOC=CCO;FMLSANPSHVODKD-UHFFFAOYSA-N;147.13;-0.86;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda_P4";;;;;;;-1.19;;-4.91;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM448763;MM448763;CC=CCCN(C)C1CC1;DZPKJOOFLPZUPI-UHFFFAOYSA-N;139.24;2.05;;;;;DOPC;MDCG;27;1;"MARTINI bead: C1_SNd";;;;;;;2.91;;-0.2;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM448764;MM448764;O=CNOCOC=CCF;IHUMODJZBRWZID-UHFFFAOYSA-N;149.12;0.12;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_P2";;;;;;;-0.24;;-3.24;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM448765;MM448765;CN(CCC=NN)C1CC1;XMBJYDFNFQGXRT-UHFFFAOYSA-N;141.22;0.42;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_SNd";;;;;;;0.87;;-3.93;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM448766;MM448766;CNN=COCONC=O;QORZCWMLANACST-UHFFFAOYSA-N;147.13;-1.2;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_P2";;;;;;;-1.34;;-4.31;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM448767;MM448767;CC=CCCC(N)C1CN1;VRMIOLQVMCHVCS-UHFFFAOYSA-N;140.23;0.64;;;;;DOPC;MDCG;27;1;"MARTINI bead: C1_SP2";;;;;;;1.8;;-1.11;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM448768;MM448768;CON=COCONC=N;ZPFHHODBPYSRRL-UHFFFAOYSA-N;147.13;-0.32;;;;;DOPC;MDCG;27;1;"MARTINI bead: Na_P4";;;;;;;-1.19;;-6.27;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM448769;MM448769;CC=COCC(N)C1CN1;HBNOHNILXFQSOO-UHFFFAOYSA-N;142.2;-0.16;;;;;DOPC;MDCG;27;1;"MARTINI bead: C5_SP2";;;;;;;0.54;;-2.6;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM448770;MM448770;CON=COCONC=O;DHPKBTMWKHYEJV-UHFFFAOYSA-N;148.12;-0.77;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_P2";;;;;;;-1.34;;-4.31;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM448771;MM448771;C=C(CCC=CC)C1CC1;MNZKJVZEMCCGJR-UHFFFAOYSA-N;136.24;3.31;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1_SC4";;;;;;;4.24;;0.42;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM448772;MM448772;C=CNC(C)=NN=CC=O;ZDDUFRIISOFZND-UHFFFAOYSA-N;139.16;0.32;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_C5";;;;;;;0.81;;-0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM448773;MM448773;C=C(COC=CC)C1CC1;LFTACEPRUBELTQ-UHFFFAOYSA-N;138.21;2.5;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_SC4";;;;;;;2.97;;0.45;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM448774;MM448774;C=NOC(=O)C(N)=CC=O;ZELDCEJBYPRJMK-UHFFFAOYSA-N;142.11;-0.81;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_P2";;;;;;;-0.24;;-3.24;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM448775;MM448775;CC=CCCC(=N)N1CC1;HYSKKHCVHIMLAK-UHFFFAOYSA-N;138.21;1.64;;;;;DOPC;MDCG;27;1;"MARTINI bead: C1_SP2";;;;;;;1.8;;-3.03;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM448776;MM448776;C=NNC(=N)C(C)=C(N)N;HJKSFAQEFYTRRI-UHFFFAOYSA-N;141.18;-0.68;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_P2";;;;;;;-1.06;;-3.82;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM448777;MM448777;CC=CCCC(=O)N1CC1;KNIVHXVXDOIEML-UHFFFAOYSA-N;139.2;1.18;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1_SP2";;;;;;;1.8;;0.4;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM448778;MM448778;C=CCOCON=COC;VOZYNWGOTZGJJR-UHFFFAOYSA-N;145.16;0.75;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_Na";;;;;;;0.87;;-2.22;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM448779;MM448779;N=C(COC=NO)N1CC1;NHTMERRFFWWGAB-UHFFFAOYSA-N;143.15;-0.29;;;;;DOPC;MDCG;27;1;"MARTINI bead: P2_SP2";;;;;;;-1.34;;-7.14;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM448780;MM448780;CCC=NOCONC=O;QIOJRPUEASGUBT-UHFFFAOYSA-N;146.15;0.03;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_P2";;;;;;;-0.24;;-3.24;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM448781;MM448781;CC(CC=CCO)C1CC1;DBLISLMYLIHMCU-UHFFFAOYSA-N;140.23;1.97;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda_SC3";;;;;;;2.57;;0.44;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM448782;MM448782;COC=NOCONC=N;BGNDWZJNOAIBDJ-UHFFFAOYSA-N;147.13;-0.32;;;;;DOPC;MDCG;27;1;"MARTINI bead: Na_P4";;;;;;;-1.19;;-6.26;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM448783;MM448783;CCC=CCC(N)C1CC1;YGVLBGOMEYDWKL-UHFFFAOYSA-N;139.24;2.08;;;;;DOPC;MDCG;27;1;"MARTINI bead: C1_SNd";;;;;;;2.91;;-0.78;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM448784;MM448784;COC=NOCONC=O;NFLGIXUBRZUKHX-UHFFFAOYSA-N;148.12;-0.77;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_P2";;;;;;;-1.34;;-4.31;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM448785;MM448785;CCC=CCN(C)C1CC1;GPJMVGFDFKPTRG-UHFFFAOYSA-N;139.24;2.05;;;;;DOPC;MDCG;27;1;"MARTINI bead: C1_SNd";;;;;;;2.91;;0.35;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM448786;MM448786;C=CCCNCC=CCC;SRSBRGVNNJSLNY-UHFFFAOYSA-N;139.24;2.12;;;;;DOPC;MDCG;27;1;"MARTINI bead: C1_Nd";;;;;;;2.91;;-0.23;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM448787;MM448787;CC(CC=CCN)C1CN1;PRDVWEXTOYEFPU-UHFFFAOYSA-N;140.23;0.5;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_SNd";;;;;;;0.87;;-4.38;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM448788;MM448788;CCC=CCNCCC=O;GHIZZKJGZUNZMJ-UHFFFAOYSA-N;141.21;1.13;;;;;DOPC;MDCG;27;1;"MARTINI bead: C1_P3";;;;;;;0.94;;-1.59;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM448789;MM448789;COC=NOC(C)C1CN1;CRXHTQRNCOCMSF-UHFFFAOYSA-N;144.17;-0.05;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_SNd";;;;;;;-0.24;;-3.16;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM448790;MM448790;CCN=CNNCCC#N;CZGBAJRRMKWWIX-UHFFFAOYSA-N;140.19;0.04;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_P2";;;;;;;-0.24;;-5.21;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM448791;MM448791;C=CC=CCC(C)C1CC1;KCAJRUXAULLVTA-UHFFFAOYSA-N;136.24;3.16;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1_SC3";;;;;;;4.61;;0.31;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM448792;MM448792;C=CCCNNC=NOC;HCPYSUQQSFRCCW-UHFFFAOYSA-N;143.19;0.25;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_Nd";;;;;;;-0.24;;-3.16;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM448793;MM448793;CC(CC=CC=O)C1CC1;AZUFNKOPJVNUFJ-UHFFFAOYSA-N;138.21;2.18;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_SC3";;;;;;;2.57;;0.45;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM448794;MM448794;COC=CCOCCC#N;QENPOQLKWITEHO-UHFFFAOYSA-N;141.17;1.08;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_Na";;;;;;;0.87;;-2.22;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM448795;MM448795;CCC#CCNC(=N)C#N;JFVFKYHNDCMFFF-UHFFFAOYSA-N;135.17;0.49;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_P2";;;;;;;0.54;;-1.09;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM448796;MM448796;C=COCOCC=CCN;NKCCBKHWCAGWNA-UHFFFAOYSA-N;143.19;0.64;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_P1";;;;;;;0.04;;-4.87;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM448797;MM448797;CN=C(NOC=O)C(C)F;KZCPSLWKOZOGFX-UHFFFAOYSA-N;148.14;0.05;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_P2";;;;;;;0.54;;-1.09;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM448798;MM448798;O=COCOCC=CCO;YXJCQHFTKDJYMX-UHFFFAOYSA-N;146.14;-0.32;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda_P1";;;;;;;0.04;;-2.73;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM448799;MM448799;C=CC=COC(C)C1CC1;WSCPTLBUSWJASD-UHFFFAOYSA-N;138.21;2.5;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_SC3";;;;;;;2.57;;0.45;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM448800;MM448800;C=COCOCC=COC;CXLPDTUHYRWOJS-UHFFFAOYSA-N;144.17;1.28;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_P1";;;;;;;0.81;;-0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM448801;MM448801;CC(OC=CC#N)C1CC1;UXIRNGPXXZUBJL-UHFFFAOYSA-N;137.18;1.84;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_SC3";;;;;;;1.46;;-0.15;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM448802;MM448802;CNN=CCOCOC=O;HCFKSVFWLXGVBZ-UHFFFAOYSA-N;146.15;-0.66;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nd_P2";;;;;;;-0.24;;-3.16;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM448803;MM448803;C=CC=NOC(C)C1CC1;DFLHQQNMLWHTJG-UHFFFAOYSA-N;139.2;1.97;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_SC3";;;;;;;2.57;;0.45;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM448804;MM448804;CON=CCOCOC=O;BRYPFBKPFOFVFZ-UHFFFAOYSA-N;147.13;-0.23;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_P2";;;;;;;-0.24;;-3.24;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM448805;MM448805;CC(ON=CC#N)C1CC1;HEAXYLLQQBPSAX-UHFFFAOYSA-N;138.17;1.31;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_SC5";;;;;;;1.64;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM448806;MM448806;CON=C(C=CN)NOC;HTIOAUDDALJTHH-UHFFFAOYSA-N;145.16;-0.43;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_Nda";;;;;;;-0.24;;-3.31;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM448807;MM448807;C#CCC(=O)N(C=C)N=C;YVUVYPUQCRSDES-UHFFFAOYSA-N;136.15;0.6;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_N0";;;;;;;0.34;;-1.53;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM448808;MM448808;NN=Cc1oc(=O)oc1N;TXCZRNSBLBGRGU-UHFFFAOYSA-N;143.1;-0.89;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_SP3";;;;;;;-1.93;;-4.72;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM448809;MM448809;N#CC=CCC(O)C1CO1;PBEQQOBJCRCBSG-UHFFFAOYSA-N;139.15;0.22;;;;;DOPC;MDCG;27;0;"MARTINI bead: N0_SP2";;;;;;;0.06;;-2.21;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM448810;MM448810;C=CC=CCCCCC=C;HXZJJSYHNPCGKW-UHFFFAOYSA-N;136.24;3.48;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1_C1";;;;;;;4.95;;0.69;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM448811;MM448811;CC(OC=CC#N)C1CO1;SWWIPPXLEXDWCF-UHFFFAOYSA-N;139.15;0.83;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_SP1";;;;;;;0.04;;-2.54;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM448812;MM448812;C=CCCCCC=CC=O;ZWSQVNVYDZKIEV-UHFFFAOYSA-N;138.21;2.49;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1_Na";;;;;;;2.91;;0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM448813;MM448813;CC(ON=CC#N)C1CO1;GIVFVAUYVMTRFJ-UHFFFAOYSA-N;140.14;0.3;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_SP1";;;;;;;0.04;;-2.54;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM448814;MM448814;C=CCCCCC=CC#N;YHRYVCBZCSADIK-UHFFFAOYSA-N;135.21;2.81;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1_N0";;;;;;;3.21;;0.46;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM448815;MM448815;C#CC=CCC(C)C1CC1;CBCVYUAWIWTWOU-UHFFFAOYSA-N;134.22;2.61;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4_SC3";;;;;;;3.9;;0.47;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM448816;MM448816;O=CC=CCCCCC=O;DZYVOBZUVXUJJG-UHFFFAOYSA-N;140.18;1.5;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_Na";;;;;;;1.64;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM448817;MM448817;C#CC=CCC(N)C1CC1;JYMGTRHDTPCUNC-UHFFFAOYSA-N;135.21;1.3;;;;;DOPC;MDCG;27;1;"MARTINI bead: C4_SNd";;;;;;;2.2;;-2.46;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM448818;MM448818;N#CC=CCCCCC=O;FLZYRLPTAGZEJT-UHFFFAOYSA-N;137.18;1.83;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_N0";;;;;;;1.94;;0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM448819;MM448819;C#CC=CCC(N)C1CN1;RGXCPUIYMLHMMJ-UHFFFAOYSA-N;136.2;-0.14;;;;;DOPC;MDCG;27;1;"MARTINI bead: C4_SP2";;;;;;;1.09;;-2.53;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM448820;MM448820;N#CC=CCCCCC#N;PMEGMDHHNHUYTA-UHFFFAOYSA-N;134.18;2.15;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_C5";;;;;;;0.81;;-0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM448821;MM448821;C#CC=NOC(C)C1CN1;HFDZXVWWXPEODF-UHFFFAOYSA-N;138.17;-0.02;;;;;DOPC;MDCG;27;0;"MARTINI bead: N0_SP2";;;;;;;0.06;;-2.21;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM448822;MM448822;C=CCCCCC=NN=C;SRQDUMXTFGGIPV-UHFFFAOYSA-N;138.21;2.42;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1_C5";;;;;;;3.68;;0.46;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM448823;MM448823;C#CC=CCC(N)C1CO1;WGULNMCMKVZXGJ-UHFFFAOYSA-N;137.18;0.29;;;;;DOPC;MDCG;27;1;"MARTINI bead: C4_SP2";;;;;;;1.09;;-2.59;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM448824;MM448824;C=NN=CCCCCC#N;SEZKIJRFQDTDLI-UHFFFAOYSA-N;137.19;1.76;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_N0";;;;;;;1.94;;0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM448825;MM448825;C#CC=NOC(C)C1CO1;CRVIQEXNJUKIKA-UHFFFAOYSA-N;139.15;0.41;;;;;DOPC;MDCG;27;0;"MARTINI bead: N0_SP1";;;;;;;0.34;;-1.53;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM448826;MM448826;N=CNCCCC=CC=O;CKBWGAAJFXMXDW-UHFFFAOYSA-N;140.19;0.72;;;;;DOPC;MDCG;27;1;"MARTINI bead: P3_C4";;;;;;;0.23;;-5.21;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM448827;MM448827;C=C(CC=CCC)C1CC1;YZEIGLXREYXALA-UHFFFAOYSA-N;136.24;3.31;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1_SC4";;;;;;;4.24;;0.42;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM448828;MM448828;CC(=O)CCC(C#N)=CN;ORGQHLBEMKYPLA-UHFFFAOYSA-N;138.17;0.72;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_P1";;;;;;;0.04;;-2.54;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM448829;MM448829;CCC=CCC(=O)C1CC1;AOGHJFDQBVTNTH-UHFFFAOYSA-N;138.21;2.32;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1_SNa";;;;;;;2.91;;0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM448830;MM448830;CC(C=O)NC1(C#N)CC1;OOSJAVAIYQEPQQ-UHFFFAOYSA-N;138.17;0.22;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_SP2";;;;;;;-0.24;;-3.24;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM448831;MM448831;N=C(NC=CCN)C1CC1;REYNBTNIDJLPMQ-UHFFFAOYSA-N;139.2;0.44;;;;;DOPC;MDCG;27;1;"MARTINI bead: P3_SNd";;;;;;;-1.1;;-8.07;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM448832;MM448832;C=NNCCCC=CC#N;IERFFBGFBHDWNP-UHFFFAOYSA-N;137.19;1.05;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nd_N0";;;;;;;1.17;;-1.04;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM448833;MM448833;N=C(CC=CCF)N1CC1;WXNFYHKRYWRAQG-UHFFFAOYSA-N;142.18;1.2;;;;;DOPC;MDCG;27;1;"MARTINI bead: C4_SP2";;;;;;;1.09;;-4.22;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM448834;MM448834;N#CC=CCCCOC=O;OBTXEAOIFXTHBG-UHFFFAOYSA-N;139.15;1.02;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_N0";;;;;;;1.17;;-1.18;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM448835;MM448835;CCC=CNC(=N)N1CC1;ONCJDMIIGGDMMO-UHFFFAOYSA-N;139.2;0.75;;;;;DOPC;MDCG;27;1;"MARTINI bead: C5_SP2";;;;;;;0.54;;-5.54;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM448836;MM448836;C=NOCCCC=CC=O;JKMOILSRGQRAII-UHFFFAOYSA-N;141.17;1.15;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_Na";;;;;;;0.87;;-2.22;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM448837;MM448837;N=C(NC=CCN)N1CC1;CPWKOOSHFRWSQZ-UHFFFAOYSA-N;140.19;-0.7;;;;;DOPC;MDCG;27;1;"MARTINI bead: P3_SP2";;;;;;;-2.2;;-9.13;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM448838;MM448838;C=NN=CCCCON=C;AZXGOKWYUNSDMG-UHFFFAOYSA-N;141.17;1.09;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_C5";;;;;;;1.64;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM448839;MM448839;N=C(NN=CCN)N1CC1;QAOOWASUUIBTMT-UHFFFAOYSA-N;141.18;-1.23;;;;;DOPC;MDCG;27;1;"MARTINI bead: P3_SP2";;;;;;;-2.2;;-7.35;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM448840;MM448840;C=CC=CCCNCC=C;JQVBBPSBMDOXMJ-UHFFFAOYSA-N;137.23;1.89;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_C1";;;;;;;2.91;;-0.25;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM448841;MM448841;N=C(NN=CCO)N1CC1;WAWLZBPJWCFJJN-UHFFFAOYSA-N;142.16;-1.2;;;;;DOPC;MDCG;27;1;"MARTINI bead: P2_SP2";;;;;;;-1.34;;-6.42;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM448842;MM448842;C=CCNCCC=CC=O;WMBCRHQJRHQURC-UHFFFAOYSA-N;139.2;0.91;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_Na";;;;;;;0.87;;-4.24;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM448843;MM448843;N=C(NN=CCF)N1CC1;DMAJHYDFDHJZEV-UHFFFAOYSA-N;144.15;-0.22;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1_SP2";;;;;;;-1.06;;-5.86;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM448844;MM448844;C=CC=CCCNCC#N;YLYCTJTYUKISAX-UHFFFAOYSA-N;136.2;1.23;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4_P2";;;;;;;1.09;;-0.37;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM448845;MM448845;COC=NNC(=N)N1CC1;XDJHCFBYFFRBRW-UHFFFAOYSA-N;142.16;-0.58;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1_SP2";;;;;;;-1.06;;-5.14;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM448846;MM448846;C=CCNCCC=NN=C;LMEPYGZKLLPWMK-UHFFFAOYSA-N;139.2;0.84;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_C5";;;;;;;1.64;;-1.86;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM448847;MM448847;C=CC=CCC(=C)C1CC1;TXIZOCZQCTXAAG-UHFFFAOYSA-N;134.22;3.08;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1_SC4";;;;;;;4.24;;0.42;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM448848;MM448848;C=NN=CCCNCC#N;IBJHGTIIIKXGLF-UHFFFAOYSA-N;138.17;0.18;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_P2";;;;;;;0.54;;-1.09;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM448849;MM448849;N#CC=CNC(=N)C1CC1;AIMAMQNEENXVAX-UHFFFAOYSA-N;135.17;1;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1_SC5";;;;;;;0.81;;-4.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM448850;MM448850;N=CNNCCC=CC=O;ADELEJBHPJHNHX-UHFFFAOYSA-N;141.17;-0.17;;;;;DOPC;MDCG;27;1;"MARTINI bead: P4_C5";;;;;;;-0.41;;-5.6;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM448851;MM448851;N#CC=CNC(=O)C1CC1;AEGMLQVUFFILHE-UHFFFAOYSA-N;136.15;0.55;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_SC5";;;;;;;0.81;;-0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM448852;MM448852;C=NN=CCCNNC=N;YRQYXLAHEXXBGJ-UHFFFAOYSA-N;141.18;-0.24;;;;;DOPC;MDCG;27;1;"MARTINI bead: C5_P4";;;;;;;-0.41;;-5.6;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM448853;MM448853;C=CC=CNC(=N)C1CN1;XISJHJIJJSKZBA-UHFFFAOYSA-N;137.19;0.22;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_SP2";;;;;;;-0.24;;-5.95;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM448854;MM448854;N#CC1(NC(=N)C=O)CC1;BBAXSUIHPMPKRE-UHFFFAOYSA-N;137.14;-0.19;;;;;DOPC;MDCG;27;0;"MARTINI bead: P3_SN0";;;;;;;-0.8;;-2.99;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM448855;MM448855;CCN(C=N)C(=O)C=CN;PUNDCANNILPHEN-UHFFFAOYSA-N;141.17;-0.09;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_P1";;;;;;;-1.06;;-3.82;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM448856;MM448856;C=CC=CCCOCC=C;KKPXVOXKAQKCHN-UHFFFAOYSA-N;138.21;2.32;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_C1";;;;;;;2.91;;0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM448857;MM448857;C=CN(C=N)C(=O)C=CN;QSCNTHHZXSATLE-UHFFFAOYSA-N;139.16;0.04;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_P2";;;;;;;-1.06;;-3.82;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM448858;MM448858;C=CCOCCC=CC#N;QHTQOZJXIHCBLU-UHFFFAOYSA-N;137.18;1.66;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_N0";;;;;;;1.17;;-1.18;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM448859;MM448859;N#CC=CNC(=O)C1CO1;SELNMGWUESHTJN-UHFFFAOYSA-N;138.13;-0.46;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_SP1";;;;;;;-0.79;;-3.13;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM448860;MM448860;C=CC=CCCOCC#N;ZENFYYZJEMGTOB-UHFFFAOYSA-N;137.18;1.66;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4_Na";;;;;;;2.2;;0.34;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM448861;MM448861;N#CC=NOC(=O)C1CO1;LOSOSXKSSNUNCO-UHFFFAOYSA-N;140.1;-0.56;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_SP1";;;;;;;-0.79;;-3.13;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM448862;MM448862;O=CC=CCCOCC=O;UQMHDHAVVNDNBR-UHFFFAOYSA-N;142.15;0.35;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_Na";;;;;;;0.87;;-2.22;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM448863;MM448863;C=CC=CCC(=N)N1CC1;PFPIYHQNTAXJIM-UHFFFAOYSA-N;136.2;1.41;;;;;DOPC;MDCG;27;1;"MARTINI bead: C1_SP2";;;;;;;1.8;;-2.75;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM448864;MM448864;C=CC(=O)CC1(C=C)CN1;RUPWAIPLJHJWSY-UHFFFAOYSA-N;137.18;0.66;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_SP1";;;;;;;0.04;;-2.54;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM448865;MM448865;N#CC=CCC(=N)N1CC1;OCRDKCUQUHUYHH-UHFFFAOYSA-N;135.17;0.75;;;;;DOPC;MDCG;27;1;"MARTINI bead: N0_SP2";;;;;;;0.06;;-6.05;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM448866;MM448866;C=NN=CCCOCC#N;PVZOXFOOZMYPOP-UHFFFAOYSA-N;139.16;0.6;;;;;DOPC;MDCG;27;0;"MARTINI bead: N0_Na";;;;;;;1.17;;-1.18;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM448867;MM448867;C=CC=CCC(=O)N1CC1;ZDCJJCCIFQKNAB-UHFFFAOYSA-N;137.18;0.96;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1_SP2";;;;;;;1.8;;0.4;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM448868;MM448868;O=CC=CCCONC=O;YVKOBUXTOVDDBB-UHFFFAOYSA-N;143.14;-0.19;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_Na";;;;;;;-0.24;;-3.24;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM448869;MM448869;N=C(NC=CC=O)N1CC1;ZWTNTNYPGVOTEJ-UHFFFAOYSA-N;139.16;-0.46;;;;;DOPC;MDCG;27;1;"MARTINI bead: P2_SP2";;;;;;;-1.34;;-8.11;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM448870;MM448870;C=CCCCNC=CC=O;HBHPEHNAZZJPTQ-UHFFFAOYSA-N;139.2;1.25;;;;;DOPC;MDCG;27;0;"MARTINI bead: C3_P2";;;;;;;1.46;;-0.15;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM448871;MM448871;C=CC=NNC(=N)N1CC1;VIJIXCWNZDURKR-UHFFFAOYSA-N;138.17;;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_SP2";;;;;;;-0.24;;-5.1;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM448872;MM448872;C=CCCCNC=CC#N;DBJMLZBPFMWHIO-UHFFFAOYSA-N;136.2;1.58;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1_P1";;;;;;;2.08;;0.48;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM448873;MM448873;C#CC1=NNC(C#CC)C1;KIVLFBPXTPSQHW-UHFFFAOYSA-N;132.17;0.36;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNd_SP1";;;;;;;0.04;;-2.63;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM448874;MM448874;O=CC=CNCCCC=O;USSUDPXDBXNOKF-UHFFFAOYSA-N;141.17;0.27;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_P2";;;;;;;0.54;;-1.09;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM448875;MM448875;C=CC=NOC(=O)N1CC1;VKTALOBATQVULN-UHFFFAOYSA-N;140.14;0.61;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_SP2";;;;;;;-0.24;;-3.24;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM448876;MM448876;C=CC#CC(F)C=NOC;AYPFFGCCABMEFJ-UHFFFAOYSA-N;141.15;1.15;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_C4";;;;;;;1.37;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM448877;MM448877;N#CC=NOC(=O)N1CC1;SYKGZXDRBOHCMW-UHFFFAOYSA-N;139.11;-0.05;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_SP2";;;;;;;-1.06;;-3.82;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM448878;MM448878;C=NOCONC(=N)C=O;OJZURMXHCQQCLD-UHFFFAOYSA-N;145.12;-0.73;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_P2";;;;;;;-1.06;;-3.82;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM448879;MM448879;C#CC=CCC(=C)C1CC1;WBAMBQADMOVJAT-UHFFFAOYSA-N;132.21;2.53;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4_SC4";;;;;;;3.53;;0.53;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM448880;MM448880;C=NNCCNC=CC#N;CWTVRPKIZGSKTG-UHFFFAOYSA-N;138.17;-0.18;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nd_P1";;;;;;;0.04;;-2.63;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM448881;MM448881;O=CC=CNCCOC=O;HVOKSLWAEBUBSA-UHFFFAOYSA-N;143.14;-0.54;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_P2";;;;;;;-0.24;;-3.24;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM448882;MM448882;C#CC=CNC(=O)C1CC1;FVYHUDZLRFYYEX-UHFFFAOYSA-N;135.17;0.66;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_SC5";;;;;;;0.81;;-0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM448883;MM448883;C#CC=COC(=C)C1CC1;NFMRWYNXKMMMJV-UHFFFAOYSA-N;134.18;2.07;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_SC5";;;;;;;2.41;;0.64;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM448884;MM448884;C=COCCN=CNC=O;CYQBQJUQOZSGTH-UHFFFAOYSA-N;142.16;-0.08;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_P3";;;;;;;-0.33;;-2.01;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM448885;MM448885;CCON=C(C=CN)NN;ILFDBUYBEFALPL-UHFFFAOYSA-N;144.18;-0.73;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda_P2";;;;;;;-0.24;;-3.31;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM448886;MM448886;C#CC=COC(=O)C1CC1;VKDGZPCBWBJIHV-UHFFFAOYSA-N;136.15;1.09;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_SC5";;;;;;;1.64;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM448887;MM448887;C=CC=NNCCCC=C;XAYXUZGNCSUJDT-UHFFFAOYSA-N;138.21;1.71;;;;;DOPC;MDCG;27;0;"MARTINI bead: C3_Nd";;;;;;;2.57;;0.53;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM448888;MM448888;COC1=NC(=CC#N)NN1;FJJDQZQFURMLRZ-UHFFFAOYSA-N;138.13;-0.54;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP3_SP2";;;;;;;-2.2;;-5.19;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM448889;MM448889;CCNc1cn(C=O)cn1;APIOJPLRDGLEES-UHFFFAOYSA-N;139.16;0.35;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNda_SP2";;;;;;;-0.24;;-3.31;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM448890;MM448890;C=c1oc(=CN)c(=O)n1N;NFVOODNMHMSDOZ-UHFFFAOYSA-N;141.13;-2.74;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP2_SP1";;;;;;;-1.06;;-3.82;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM448891;MM448891;C#CC=COC(=C)C1CN1;JBRURNSABSZXLL-UHFFFAOYSA-N;135.17;0.64;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_SP2";;;;;;;0.54;;-1.09;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM448892;MM448892;C=CC=NNCCNC=N;SZWPJBZAMHKEPG-UHFFFAOYSA-N;140.19;-0.06;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_P2";;;;;;;-0.24;;-7.29;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM448893;MM448893;C#CC=COC(=O)C1CN1;ZRYKUIBPTAGHMJ-UHFFFAOYSA-N;137.14;-0.35;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_SP2";;;;;;;-0.24;;-3.24;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM448894;MM448894;N=CNCCNN=CC=O;PBWMWZKYWKZPIK-UHFFFAOYSA-N;142.16;-1.04;;;;;DOPC;MDCG;27;1;"MARTINI bead: P3_Nda";;;;;;;-1.1;;-7.79;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM448895;MM448895;C#CC=NOC(=O)C1CN1;JKOHDJGUEORVJD-UHFFFAOYSA-N;138.13;-0.88;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_SP2";;;;;;;-0.24;;-3.24;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM448896;MM448896;C=NN(C=O)C(C=O)=CN;JXHJIHJJKJQMRL-UHFFFAOYSA-N;141.13;-0.94;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_P2";;;;;;;-1.06;;-3.82;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM448897;MM448897;C#CC=CNC(=O)C1CO1;VDHHSLHUQGGDTH-UHFFFAOYSA-N;137.14;-0.35;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_SP1";;;;;;;-0.79;;-3.13;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM448898;MM448898;C=COCCNN=CC#N;ZDBIUMXSFGPPRG-UHFFFAOYSA-N;139.16;0.25;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_P2";;;;;;;0.54;;-1.09;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM448899;MM448899;C#CC=COC(=O)C1CO1;RGLLARVLEQEMNN-UHFFFAOYSA-N;138.12;0.08;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_SP1";;;;;;;0.04;;-2.54;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM448900;MM448900;C=CC=NNCCOC=O;FRKHTKNCBQHCHU-UHFFFAOYSA-N;142.16;-0.08;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nd_Na";;;;;;;0.87;;-1.88;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM448901;MM448901;C#CC=NOC(=O)C1CO1;FRYOIHQXXXEWOM-UHFFFAOYSA-N;139.11;-0.45;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_SP1";;;;;;;0.04;;-2.54;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM448902;MM448902;C=CC=COCCCC=C;RLGPGDDSCQSGLU-UHFFFAOYSA-N;138.21;2.67;;;;;DOPC;MDCG;27;0;"MARTINI bead: C3_C4";;;;;;;3.9;;0.47;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM448903;MM448903;C#CC=NNC(=N)N1CC1;DQFRHYQELRJMEK-UHFFFAOYSA-N;136.16;-0.55;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1_SP2";;;;;;;-1.06;;-5.6;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM448904;MM448904;C=CC=COCCCC=O;CHFBDNDALCXVOJ-UHFFFAOYSA-N;140.18;1.68;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4_Na";;;;;;;2.2;;0.34;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM448905;MM448905;C#CC=NOC(=N)N1CC1;PEFNUOWJGBDFDK-UHFFFAOYSA-N;137.14;-0.13;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda_SP2";;;;;;;-0.24;;-3.31;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM448906;MM448906;C=CC=COCCCC#N;YJZMQVVCCWUJGF-UHFFFAOYSA-N;137.18;2.01;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4_P1";;;;;;;1.37;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM448907;MM448907;C#CC=NOC(=O)N1CC1;NILRHLZWBVLSPB-UHFFFAOYSA-N;138.13;0.06;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_SP2";;;;;;;-0.24;;-3.24;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM448908;MM448908;C=CCCCOC=NN=C;PVTDAEUNIDSKFP-UHFFFAOYSA-N;140.19;1.61;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_N0";;;;;;;1.17;;-1.18;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM448909;MM448909;C=CC=COCCNC=N;KCQSCKBEUKCHLG-UHFFFAOYSA-N;140.19;0.9;;;;;DOPC;MDCG;27;1;"MARTINI bead: C4_P3";;;;;;;0.23;;-4.84;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM448910;MM448910;CCC#CCC(C)C1CC1;SMWDJUAGCZFVFX-UHFFFAOYSA-N;136.24;2.84;;;;;DOPC;MDCG;27;0;"MARTINI bead: C3_SC3";;;;;;;4.27;;0.2;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM448911;MM448911;N=CNCCOC=CC=O;YPJCUHDTCINSOV-UHFFFAOYSA-N;142.16;-0.09;;;;;DOPC;MDCG;27;1;"MARTINI bead: P3_Na";;;;;;;-1.1;;-7.89;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM448912;MM448912;CC(CC#CCN)C1CC1;QGKBTVHDDBJHGE-UHFFFAOYSA-N;137.23;1.38;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_SC3";;;;;;;2.57;;-0.27;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM448913;MM448913;C=COCCOC=CC#N;CGOGSKDEXPXDGO-UHFFFAOYSA-N;139.15;1.2;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_Na";;;;;;;0.87;;-2.22;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM448914;MM448914;CN(CC#CCN)C1CC1;GOBVZIASWOUBQW-UHFFFAOYSA-N;138.21;0.04;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_SNd";;;;;;;0.87;;-3.68;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM448915;MM448915;C=CC=COCCOC=O;MMTJFGXXUHNXGC-UHFFFAOYSA-N;142.15;0.88;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_Na";;;;;;;0.87;;-2.22;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM448916;MM448916;CC(CC#CCN)C1CN1;RDPKYRUFOBQPSG-UHFFFAOYSA-N;138.21;-0.05;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_SNd";;;;;;;0.87;;-3.67;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM448917;MM448917;CCC#CCC(N)C1CN1;VXQGISXIGZIBBX-UHFFFAOYSA-N;138.21;0.09;;;;;DOPC;MDCG;27;1;"MARTINI bead: C3_SP2";;;;;;;1.46;;-1.91;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM448918;MM448918;C=CC=COCCON=C;IADKAZATHIMKRG-UHFFFAOYSA-N;141.17;1.33;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4_P1";;;;;;;1.37;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM448919;MM448919;NCC#CCC(N)C1CN1;QGOTVKSZTQHZGW-UHFFFAOYSA-N;139.2;-1.36;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_SP2";;;;;;;-0.24;;-5.18;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM448920;MM448920;C=COCCOC=NN=C;ALDVTFOMXVYGOC-UHFFFAOYSA-N;142.16;0.81;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_P1";;;;;;;0.81;;-0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM448921;MM448921;C=NN=COCCON=C;POCHYPRRRDCJJF-UHFFFAOYSA-N;143.15;0.28;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_C5";;;;;;;0.81;;-0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM448922;MM448922;NCC#CCC(O)C1CN1;NJNJRNKXZKDOQN-UHFFFAOYSA-N;140.19;-1.33;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_SP2";;;;;;;-0.24;;-4.66;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM448923;MM448923;CNC(C#N)=C(C=O)NC;LZNQHQHUFWMFHA-UHFFFAOYSA-N;139.16;-0.64;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda_P2";;;;;;;-0.24;;-3.31;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM448924;MM448924;CC(CC#CCN)C1CO1;LNUWDKWFIPJAET-UHFFFAOYSA-N;139.2;0.37;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_SNa";;;;;;;0.87;;-3.39;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM448925;MM448925;N#CCCCON=CC=O;NAOZLYSZFUZHBP-UHFFFAOYSA-N;140.14;0.49;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_Na";;;;;;;0.87;;-2.22;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM448926;MM448926;CC(CC#CCN)N1CC1;PLLFSUXTIQTIMH-UHFFFAOYSA-N;138.21;0.04;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_SNd";;;;;;;0.87;;-3.61;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM448927;MM448927;N#CC=NOCCCC=O;HGQBRZAOPIQVCW-UHFFFAOYSA-N;140.14;0.49;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_Na";;;;;;;0.87;;-2.22;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM448928;MM448928;C=CC#CCC(C)C1CC1;MPXJYRITRKLNGM-UHFFFAOYSA-N;134.22;2.61;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4_SC3";;;;;;;3.9;;0.47;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM448929;MM448929;N=CNCCON=CC=O;QDZDWTNQQGTEEQ-UHFFFAOYSA-N;143.15;-0.62;;;;;DOPC;MDCG;27;1;"MARTINI bead: P3_Na";;;;;;;-1.1;;-7.85;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM448930;MM448930;CC(CC#CC#N)C1CC1;SBURREZYBAIKCL-UHFFFAOYSA-N;133.19;1.95;;;;;DOPC;MDCG;27;0;"MARTINI bead: N0_SC3";;;;;;;2.87;;0.37;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM448931;MM448931;C=NNCCON=CC=O;AYASVJNBYRRZGO-UHFFFAOYSA-N;143.15;-0.61;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_Na";;;;;;;0.04;;-2.54;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM448932;MM448932;C=CC#CCC(N)C1CC1;GIBNDEIKARXPHA-UHFFFAOYSA-N;135.21;1.3;;;;;DOPC;MDCG;27;1;"MARTINI bead: C4_SNd";;;;;;;2.2;;-2.12;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM448933;MM448933;C=CC=NOCCOC=C;LJUZPEDLBNPEFK-UHFFFAOYSA-N;141.17;1.33;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_Na";;;;;;;0.87;;-2.22;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM448934;MM448934;N#CC12CC1NC(CF)=N2;MLTWGRUDEDKSAX-UHFFFAOYSA-N;139.13;-0.01;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNda_SP1";;;;;;;0.04;;-2.73;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM448935;MM448935;C#CC1NN=C(CC)C1=C;VLLDCRHEUHRQDV-UHFFFAOYSA-N;134.18;0.91;;;;;DOPC;MDCG;27;0;"MARTINI bead: SN0_SP1";;;;;;;0.34;;-1.53;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM448936;MM448936;C=COCCON=CC#N;KSFGTIWAAIZSCF-UHFFFAOYSA-N;140.14;0.67;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_P2";;;;;;;0.54;;-1.09;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM448937;MM448937;C=CC#CCC(N)C1CN1;JDVBONJHMVKUQM-UHFFFAOYSA-N;136.2;-0.14;;;;;DOPC;MDCG;27;1;"MARTINI bead: C4_SP2";;;;;;;1.09;;-2.19;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM448938;MM448938;N#CC=COCOCC=O;QDTFTBVSBFYULL-UHFFFAOYSA-N;141.13;0.21;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_P1";;;;;;;0.04;;-2.54;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM448939;MM448939;N=CNOCOC=CC=O;NTACTFHDPSTAEH-UHFFFAOYSA-N;144.13;-0.2;;;;;DOPC;MDCG;27;1;"MARTINI bead: P4_Na";;;;;;;-1.19;;-6.28;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM448940;MM448940;C=CC#CCC(C)C1CO1;DIFMTLKEROFEDB-UHFFFAOYSA-N;136.19;1.6;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4_SNa";;;;;;;2.2;;0.34;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM448941;MM448941;CC(CC#CC#N)C1CO1;VNQPHDZUXXDPMU-UHFFFAOYSA-N;135.17;0.94;;;;;DOPC;MDCG;27;0;"MARTINI bead: N0_SNa";;;;;;;1.17;;-1.18;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM448942;MM448942;C=CC=COCONC=O;UGXUGJMLASBTIM-UHFFFAOYSA-N;143.14;0.34;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4_P4";;;;;;;0.15;;-2.18;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM448943;MM448943;C=CC#CCC(N)C1CO1;NKLHKWMWJSCDQP-UHFFFAOYSA-N;137.18;0.29;;;;;DOPC;MDCG;27;1;"MARTINI bead: C4_SP2";;;;;;;1.09;;-2.25;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM448944;MM448944;O=CC=COCONC=O;LNRPUIKNLKMBJE-UHFFFAOYSA-N;145.11;-0.65;;;;;DOPC;MDCG;27;0;"MARTINI bead: P4_Na";;;;;;;-1.19;;-4.76;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM448945;MM448945;C=CC#CCC(O)C1CO1;ZORZWVIYUZPAFR-UHFFFAOYSA-N;138.17;0.33;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4_SP2";;;;;;;1.09;;-0.38;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM448946;MM448946;C=CNC1=NN=C(C)CC1;XGFXVUYHZHUEKZ-UHFFFAOYSA-N;137.19;1.29;;;;;DOPC;MDCG;27;0;"MARTINI bead: SN0_SNd";;;;;;;1.17;;-1.04;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM448947;MM448947;C#CC#CCC(C)C1CC1;HCNJROGRFCAURZ-UHFFFAOYSA-N;132.21;2.06;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4_SC3";;;;;;;3.9;;0.47;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM448948;MM448948;N#CC=NOCONC=N;BEBRJNLLVNIEDJ-UHFFFAOYSA-N;142.12;-0.4;;;;;DOPC;MDCG;27;1;"MARTINI bead: P4_Na";;;;;;;-1.19;;-6.26;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM448949;MM448949;C#CC#CCC(N)C1CC1;BIVMJUVXXXAONB-UHFFFAOYSA-N;133.19;0.75;;;;;DOPC;MDCG;27;1;"MARTINI bead: C4_SNd";;;;;;;2.2;;-2.07;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM448950;MM448950;C=CC=NOCONC=O;GMABODPBFKFLQK-UHFFFAOYSA-N;144.13;-0.19;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_P2";;;;;;;-0.24;;-3.24;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM448951;MM448951;C#CCC1=C(C)C(=O)N=C1;JMRFTKYWHTUFQH-UHFFFAOYSA-N;133.15;0.94;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC5_SNa";;;;;;;1.64;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM448952;MM448952;C=CCCNCC=CC#N;JSKQYUCZRQMEKF-UHFFFAOYSA-N;136.2;1.23;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_N0";;;;;;;1.17;;-2.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM448953;MM448953;C#CC#CCC(C)N1CC1;BIQQGVBSZGGIDM-UHFFFAOYSA-N;133.19;0.72;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4_SNd";;;;;;;2.2;;0.33;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM448954;MM448954;C=CC=CCNCCC=O;SDGRWIMQDKWZBI-UHFFFAOYSA-N;139.2;0.91;;;;;DOPC;MDCG;27;1;"MARTINI bead: C1_P3";;;;;;;0.94;;-1.62;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM448955;MM448955;C=C(CC#CCC)C1CC1;DRMXKTWNDBASTM-UHFFFAOYSA-N;134.22;2.76;;;;;DOPC;MDCG;27;0;"MARTINI bead: C3_SC4";;;;;;;3.9;;0.47;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM448956;MM448956;C=NN=CCNCCC#N;WWUJMJWTQWWZAU-UHFFFAOYSA-N;138.17;0.18;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_P2";;;;;;;0.54;;-1.09;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM448957;MM448957;C=C(CC#CCN)C1CC1;BGIMSZRCTATICW-UHFFFAOYSA-N;135.21;1.3;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_SC4";;;;;;;2.2;;-0.92;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM448958;MM448958;N#CCCNN=CNC=N;LQDRRQUZKOZQMY-UHFFFAOYSA-N;139.16;-0.37;;;;;DOPC;MDCG;27;1;"MARTINI bead: P3_Nd";;;;;;;-1.1;;-5.4;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM448959;MM448959;CCC#CCC(=O)C1CC1;VHKFTWFTOWTTJO-UHFFFAOYSA-N;136.19;1.77;;;;;DOPC;MDCG;27;0;"MARTINI bead: C3_SNa";;;;;;;2.57;;0.45;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM448960;MM448960;C=CCCOCC=CC#N;UMWBUXCBZYPYIA-UHFFFAOYSA-N;137.18;1.66;;;;;DOPC;MDCG;27;0;"MARTINI bead: C3_P1";;;;;;;1.74;;0.29;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM448961;MM448961;CCC#CCC(=N)N1CC1;BPQOCFQNIBQROM-UHFFFAOYSA-N;136.2;1.08;;;;;DOPC;MDCG;27;1;"MARTINI bead: C3_SP2";;;;;;;1.46;;-2.72;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM448962;MM448962;N#CCCOCC=CC=O;IEVAUHLWDRCCSU-UHFFFAOYSA-N;139.15;0.67;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_Na";;;;;;;0.87;;-2.22;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM448963;MM448963;N=C(CC#CCN)N1CC1;PXEASDSUQJZXQO-UHFFFAOYSA-N;137.19;-0.37;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_SP2";;;;;;;-0.24;;-5.85;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM448964;MM448964;C=NN=CCOCCC#N;XTJCVIBEZGXEHJ-UHFFFAOYSA-N;139.16;0.6;;;;;DOPC;MDCG;27;0;"MARTINI bead: N0_Na";;;;;;;1.17;;-1.18;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM448965;MM448965;CCC#CCC(=O)N1CC1;GKZCDMQNJJZPNL-UHFFFAOYSA-N;137.18;0.63;;;;;DOPC;MDCG;27;0;"MARTINI bead: C3_SP2";;;;;;;1.46;;-0.15;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM448966;MM448966;C=CC=CCOCOC=C;FOCVNLUJFPQKKB-UHFFFAOYSA-N;140.18;1.86;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_C1";;;;;;;2.08;;0.48;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM448967;MM448967;NCC#CCC(=O)N1CC1;LDFOMJQGGYLJOF-UHFFFAOYSA-N;138.17;-0.82;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_SP2";;;;;;;-0.24;;-4.33;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM448968;MM448968;C=COCOCC=CC#N;LLPZXGXMHVDFEH-UHFFFAOYSA-N;139.15;1.2;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_N0";;;;;;;1.17;;-1.18;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM448969;MM448969;C=CC#CCC(=C)C1CC1;CXCQXRDWASRPKG-UHFFFAOYSA-N;132.21;2.53;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4_SC4";;;;;;;3.53;;0.53;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM448970;MM448970;C=CC=CCOCON=C;UAKUXXIXYUFNRN-UHFFFAOYSA-N;141.17;1.33;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1_P3";;;;;;;0.94;;0.03;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM448971;MM448971;C=C(CC#CC#N)C1CC1;GNKBNWPFCMAKHW-UHFFFAOYSA-N;131.18;1.87;;;;;DOPC;MDCG;27;0;"MARTINI bead: N0_SC4";;;;;;;2.5;;0.44;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM448972;MM448972;C=NOCOCC=CC#N;BUONBMOBPVVXLY-UHFFFAOYSA-N;140.14;0.67;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_N0";;;;;;;0.34;;-1.53;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM448973;MM448973;N#CC#CCC(=O)C1CC1;ASEQFCQEVBQYNM-UHFFFAOYSA-N;133.15;0.88;;;;;DOPC;MDCG;27;0;"MARTINI bead: N0_SNa";;;;;;;1.17;;-1.18;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM448974;MM448974;C=COCOCC=NN=C;FIYWPSFJURXOFV-UHFFFAOYSA-N;142.16;0.81;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_N0";;;;;;;1.17;;-1.18;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM448975;MM448975;C=CC#CCC(=N)N1CC1;LMCXRVQTVFZFAR-UHFFFAOYSA-N;134.18;0.86;;;;;DOPC;MDCG;27;1;"MARTINI bead: C4_SP2";;;;;;;1.09;;-2.99;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM448976;MM448976;C=NN=CCOCOC=O;RVEBZBWUAIEKNC-UHFFFAOYSA-N;144.13;-0.18;;;;;DOPC;MDCG;27;0;"MARTINI bead: N0_P1";;;;;;;0.34;;-1.53;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM448977;MM448977;N=C(CC#CC=O)N1CC1;PJKFJSNPZBOENY-UHFFFAOYSA-N;136.15;-0.13;;;;;DOPC;MDCG;27;1;"MARTINI bead: C5_SP2";;;;;;;0.54;;-3.64;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM448978;MM448978;C=NOCON=CNC=O;JWDUDZCTWQAUFX-UHFFFAOYSA-N;145.12;-0.72;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_P3";;;;;;;-1.1;;-4.2;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM448979;MM448979;N#CC#CCC(=N)N1CC1;KPSHPOVPGUFKEV-UHFFFAOYSA-N;133.15;0.2;;;;;DOPC;MDCG;27;1;"MARTINI bead: N0_SP2";;;;;;;0.06;;-4.71;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM448980;MM448980;C#CC=CCCCCC=C;PTQJEGCRTNBMPF-UHFFFAOYSA-N;134.22;2.92;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1_C4";;;;;;;4.24;;0.42;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM448981;MM448981;C=CC#CCC(=O)N1CC1;HROQMBDHORYMLX-UHFFFAOYSA-N;135.17;0.41;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4_SP2";;;;;;;1.09;;-0.38;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM448982;MM448982;C#CC=CCCCCC=O;HUYQTHWARSFNKV-UHFFFAOYSA-N;136.19;1.94;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_C4";;;;;;;2.97;;0.45;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM448983;MM448983;N#CC#CCC(=O)N1CC1;CIMGRQCRLPQKQR-UHFFFAOYSA-N;134.14;-0.25;;;;;DOPC;MDCG;27;0;"MARTINI bead: N0_SP2";;;;;;;0.06;;-2.21;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM448984;MM448984;C#CC=CCCCNC=N;ZWDWGVPLACAWOZ-UHFFFAOYSA-N;136.2;1.15;;;;;DOPC;MDCG;27;1;"MARTINI bead: P3_C2";;;;;;;0.86;;-4.23;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM448985;MM448985;C#CC#CCC(=C)C1CC1;WSUXCHYEFYCRLE-UHFFFAOYSA-N;130.19;1.98;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4_SC4";;;;;;;3.53;;0.53;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM448986;MM448986;C#CC=CCCCOC=C;XSFOTQFVCONRPC-UHFFFAOYSA-N;136.19;2.12;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_C2";;;;;;;2.83;;0.35;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM448987;MM448987;C#CC#CCC(=O)C1CC1;WQMQCNNPWAJDLZ-UHFFFAOYSA-N;132.16;0.99;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4_SNa";;;;;;;2.2;;0.34;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM448988;MM448988;C#CC=CCCNCC=C;GEDMOTUFWVHQOY-UHFFFAOYSA-N;135.21;1.34;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_C4";;;;;;;2.2;;-1.88;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM448989;MM448989;CC1C(C)N1C(=O)C=CN;MGSPMKYNQMYUEE-UHFFFAOYSA-N;140.19;0.08;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP1_P3";;;;;;;-1.93;;-4.72;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM448990;MM448990;C#CC=CCCNCC=O;OXGCIHYSLNKQDG-UHFFFAOYSA-N;137.18;0.35;;;;;DOPC;MDCG;27;1;"MARTINI bead: P2_C4";;;;;;;1.09;;-1.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM448991;MM448991;C#CC#CCC(=N)N1CC1;LNIGAAPFMQRZCP-UHFFFAOYSA-N;132.17;0.31;;;;;DOPC;MDCG;27;1;"MARTINI bead: C4_SP2";;;;;;;1.09;;-2.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM448992;MM448992;C=CNC(C)=NN=C;GHFNSLZTRHLFSY-UHFFFAOYSA-N;111.15;0.75;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_C5";;;;;;;0.81;;-0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM448993;MM448993;C#CC#CCC(=O)N1CC1;FMCXRLBCFPDZFT-UHFFFAOYSA-N;133.15;-0.14;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4_SP2";;;;;;;1.09;;-0.38;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM448994;MM448994;C#CC=CCCOCC=O;PCRYEJCDFGHXCJ-UHFFFAOYSA-N;138.17;0.78;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_C4";;;;;;;1.37;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM448995;MM448995;CCCC=CC(C)C1CC1;YCYDKIWIICENMZ-UHFFFAOYSA-N;138.25;3.39;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1_SC3";;;;;;;4.61;;0.31;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM448996;MM448996;C#CC=CCCOCC#N;ZKRUZMXUKJEEDU-UHFFFAOYSA-N;135.17;1.11;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4_P1";;;;;;;1.37;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM448997;MM448997;CCCC=CC(N)C1CC1;GQJOLXKJMWKGKR-UHFFFAOYSA-N;139.24;2.08;;;;;DOPC;MDCG;27;1;"MARTINI bead: C1_SNd";;;;;;;2.91;;-0.3;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM448998;MM448998;C#CC=NNCCNC=N;JRAVITBBHMMOBG-UHFFFAOYSA-N;138.17;-0.61;;;;;DOPC;MDCG;27;1;"MARTINI bead: P3_Nd";;;;;;;-1.1;;-7.87;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM448999;MM448999;NCCC=CC(N)C1CC1;WWMWXFDVFUZNSS-UHFFFAOYSA-N;140.23;0.63;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_SNd";;;;;;;0.87;;-5.07;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM449000;MM449000;C#CC=NNCCOC=C;ZVQPYUZXPDPCLP-UHFFFAOYSA-N;138.17;0.36;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_P1";;;;;;;0.81;;-0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM449001;MM449001;NC1=CC(=O)N=C1;RZDPHVWPXPOARA-UHFFFAOYSA-N;96.09;-0.56;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP1_SNa";;;;;;;0.04;;-2.54;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM449002;MM449002;C#CC=COCCCC#N;JKKHBCZZELCNSE-UHFFFAOYSA-N;135.17;1.45;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_N0";;;;;;;1.17;;-1.18;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM449003;MM449003;CNCC=CC(C)C1CC1;DROFYQRGIYNVPA-UHFFFAOYSA-N;139.24;1.81;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_SC3";;;;;;;2.57;;-1.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM449004;MM449004;C#CC=COCCNC=O;GTMOIIATAWYBDC-UHFFFAOYSA-N;139.15;-0.1;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_Na";;;;;;;0.04;;-2.54;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM449005;MM449005;CNCC=CC(N)C1CC1;WWKOFESYANEYMB-UHFFFAOYSA-N;140.23;0.5;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_SNd";;;;;;;0.87;;-4.85;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM449006;MM449006;C#CC=COCCNN=C;XYEFCXUGJFYCFT-UHFFFAOYSA-N;138.17;0.36;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nd_Na";;;;;;;0.87;;-1.88;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM449007;MM449007;CCCC=CC(N)C1CN1;LJECBKXTDUATLC-UHFFFAOYSA-N;140.23;0.64;;;;;DOPC;MDCG;27;1;"MARTINI bead: C1_SP2";;;;;;;1.8;;-0.58;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM449008;MM449008;C#CC=COCCOC=C;QLUTUTWIRQLQEV-UHFFFAOYSA-N;138.17;1.31;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_Na";;;;;;;1.64;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM449009;MM449009;CNCC=CC(C)C1CN1;YZVRDBBQPKYEDN-UHFFFAOYSA-N;140.23;0.37;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_SNd";;;;;;;0.87;;-4.46;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM449010;MM449010;C#CC=COCCOC=O;ITBWFKIBWNQNLX-UHFFFAOYSA-N;140.14;0.32;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_Na";;;;;;;0.87;;-2.22;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM449011;MM449011;CCOC=CC(N)C1CN1;ZSBHQSBGJNYAOF-UHFFFAOYSA-N;142.2;-0.16;;;;;DOPC;MDCG;27;1;"MARTINI bead: C5_SP2";;;;;;;0.54;;-2.68;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM449012;MM449012;C#CC=COCCON=C;ZJLGGDNGAZPKCA-UHFFFAOYSA-N;139.15;0.78;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_Na";;;;;;;0.87;;-2.22;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM449013;MM449013;CCCC=CC(C)C1CO1;AZLVAZDAOFBQCT-UHFFFAOYSA-N;140.23;2.38;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1_SNa";;;;;;;2.91;;0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM449014;MM449014;C#CC=NOCCCC=C;IFMLCLXMQXGLRU-UHFFFAOYSA-N;137.18;1.59;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1_P1";;;;;;;2.08;;0.48;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM449015;MM449015;CC(C=CCCO)C1CO1;ZTHQRNJGHMACCU-UHFFFAOYSA-N;142.2;0.96;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda_SNa";;;;;;;0.87;;-1.99;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM449016;MM449016;CC(=O)C(=N)N1CC1;FLLBUNKFHBKIBS-UHFFFAOYSA-N;112.13;-0.13;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_SP2";;;;;;;-0.24;;-3.24;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM449017;MM449017;CCCC=CC(C)N1CC1;UNNZUSJZQCNVCF-UHFFFAOYSA-N;139.24;2.05;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1_SNd";;;;;;;2.91;;0.65;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM449018;MM449018;C#CC=NOCCOC=C;QSVDWGNZVRQZAP-UHFFFAOYSA-N;139.15;0.78;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_Na";;;;;;;0.87;;-2.22;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM449019;MM449019;CN(C)C(=O)C=CN;QJKWYLBVQNWRRM-UHFFFAOYSA-N;114.15;-0.45;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_P1";;;;;;;-1.06;;-3.82;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM449020;MM449020;C#CC=NOCCOC=O;QVWGXMPXYVNPQG-UHFFFAOYSA-N;141.13;-0.21;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_N0";;;;;;;0.34;;-1.53;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM449021;MM449021;CNCC=CC(C)N1CC1;JHUBIKNXLFFUQH-UHFFFAOYSA-N;140.23;0.47;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_SNd";;;;;;;0.87;;-4.45;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM449022;MM449022;C#CC=COCOCC=C;FCPMBXQTLHEBND-UHFFFAOYSA-N;138.17;1.31;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_Na";;;;;;;0.87;;-2.22;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM449023;MM449023;CC(C=CCC#N)C1CC1;PKMLNTWNZGQDPU-UHFFFAOYSA-N;135.21;2.5;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_SC5";;;;;;;2.41;;0.64;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM449024;MM449024;C#CC=NOCOCC=C;MOHPNIUNOFRMDI-UHFFFAOYSA-N;139.15;0.78;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_Na";;;;;;;0.87;;-2.22;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM449025;MM449025;C=CCC=CC(N)C1CC1;KWCPTNXVYOOOST-UHFFFAOYSA-N;137.23;1.86;;;;;DOPC;MDCG;27;1;"MARTINI bead: C5_SC5";;;;;;;2.41;;-0.22;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM449026;MM449026;C#CC=NOCONC=N;LHYLVQBUCKCQTF-UHFFFAOYSA-N;141.13;-0.29;;;;;DOPC;MDCG;27;1;"MARTINI bead: P3_N0";;;;;;;-0.8;;-4.51;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM449027;MM449027;C=COC=CC(C)C1CC1;URBZPMPRJKBWAY-UHFFFAOYSA-N;138.21;2.71;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_SC3";;;;;;;3.34;;0.48;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM449028;MM449028;C#CC=NOCONC=O;PJFNBLWXVISJIE-UHFFFAOYSA-N;142.11;-0.74;;;;;DOPC;MDCG;27;0;"MARTINI bead: P4_N0";;;;;;;-0.88;;-3.74;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM449029;MM449029;C#CCC=CC(C)C1CC1;NNDRKFKZLDGQGE-UHFFFAOYSA-N;134.22;2.61;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1_SC5";;;;;;;3.68;;0.46;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM449030;MM449030;C#CC=CCOCCC=C;UUCUFVGYBWZKBF-UHFFFAOYSA-N;136.19;1.77;;;;;DOPC;MDCG;27;0;"MARTINI bead: C3_Na";;;;;;;2.57;;0.45;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM449031;MM449031;C#CCC=CC(C)N1CC1;VCQAOYGSCPVPNT-UHFFFAOYSA-N;135.21;1.27;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_SNd";;;;;;;1.64;;0.03;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM449032;MM449032;C#CC=CCOCCC=O;KPMSIGADQIFRTH-UHFFFAOYSA-N;138.17;0.78;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_C4";;;;;;;1.09;;-0.38;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM449033;MM449033;C=C(C=CCCC)C1CC1;PTMSISQFMUNRTH-UHFFFAOYSA-N;136.24;3.31;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1_SC4";;;;;;;4.24;;0.42;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM449034;MM449034;C#CC=CCOCCC#N;NBLDSHQJMQTPSE-UHFFFAOYSA-N;135.17;1.11;;;;;DOPC;MDCG;27;0;"MARTINI bead: N0_Na";;;;;;;1.17;;-1.18;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM449035;MM449035;C=NNC1C(F)C1F;WIPSHJWKJQOWQE-UHFFFAOYSA-N;120.1;0.25;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNa_P2";;;;;;;-0.24;;-3.24;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM449036;MM449036;C#CC=CCOCOC=O;JLSNSQADLMTACD-UHFFFAOYSA-N;140.14;0.32;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_C5";;;;;;;0.81;;-0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM449037;MM449037;CCCC=CC(=O)C1CC1;DBMIDVYSDIOWDM-UHFFFAOYSA-N;138.21;2.32;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1_SNa";;;;;;;2.91;;0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM449038;MM449038;C#CC=CCOCON=C;IIZMLNGNFIOOCL-UHFFFAOYSA-N;139.15;0.78;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_C5";;;;;;;0.81;;-0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM449039;MM449039;O=CC12CC1C=NN2;APYJZFCQSKKHSE-UHFFFAOYSA-N;110.12;-0.47;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP2_SP1";;;;;;;-1.06;;-3.82;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM449040;MM449040;C#CCCCCC=CCC;XLNVBBQEKPMEFH-UHFFFAOYSA-N;136.24;3.15;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1_C3";;;;;;;4.61;;0.31;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM449041;MM449041;C=C(C=CCNC)C1CC1;FVNCANAVOIEBQO-UHFFFAOYSA-N;137.23;1.73;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_SC4";;;;;;;2.2;;-1.8;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM449042;MM449042;C#CCCCCC=CCN;MEKJLXKYLIHFEO-UHFFFAOYSA-N;137.23;1.69;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_C3";;;;;;;2.57;;-0.97;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM449043;MM449043;CNCC=CC(=O)C1CC1;OGRWTJNDDYPBQO-UHFFFAOYSA-N;139.2;0.74;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_SNa";;;;;;;0.87;;-3.95;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM449044;MM449044;C#CCNCCC=COC;UWJYHSMVQDPESE-UHFFFAOYSA-N;139.2;0.76;;;;;DOPC;MDCG;27;1;"MARTINI bead: C5_P2";;;;;;;0.54;;-2.98;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM449045;MM449045;C=C(C=CCOC)C1CC1;BWRFGSGRPOBNGF-UHFFFAOYSA-N;138.21;2.16;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_SC4";;;;;;;2.2;;0.34;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM449046;MM449046;C#CCOCCC=CCN;MMSNIMPMHPCWGD-UHFFFAOYSA-N;139.2;0.54;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_Na";;;;;;;0.87;;-4.13;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM449047;MM449047;C=C(C=COCC)C1CC1;LTILSNDZYTYOJH-UHFFFAOYSA-N;138.21;2.5;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_SC4";;;;;;;2.97;;0.45;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM449048;MM449048;C#CCOCCC=CCO;BALDTSUVOBJKTK-UHFFFAOYSA-N;140.18;0.57;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda_Na";;;;;;;0.87;;-1.99;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM449049;MM449049;C=C(C=NNCC)C1CC1;NZIIQDHLBITQMP-UHFFFAOYSA-N;138.21;1.55;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nd_SC4";;;;;;;2.2;;0.32;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM449050;MM449050;C#CCOCCC=CCF;ZHDMZAYJBUQPNA-UHFFFAOYSA-N;142.17;1.55;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4_Na";;;;;;;2.2;;0.34;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM449051;MM449051;C=C(C=NOCC)C1CC1;RPTZWGSSIGYRTK-UHFFFAOYSA-N;139.2;1.97;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_SC4";;;;;;;2.2;;0.34;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM449052;MM449052;C#CCOCCC=NOC;NLBUZUJQXCACBW-UHFFFAOYSA-N;141.17;0.66;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_Na";;;;;;;0.87;;-2.22;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM449053;MM449053;C=C(C=CCCN)C1CN1;RMMICLPGTIVKQY-UHFFFAOYSA-N;138.21;0.42;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_SP1";;;;;;;0.04;;-5.39;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM449054;MM449054;C#CCCCOC=CCN;QEARJMSEGPKKQQ-UHFFFAOYSA-N;139.2;0.89;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1_C5";;;;;;;0.81;;-2.66;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM449055;MM449055;Nc1oc(=O)n(N)c1N;JPEHTKUMGVEHDL-UHFFFAOYSA-N;130.11;-1.68;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP1_SP3";;;;;;;-1.93;;-4.72;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM449056;MM449056;C#CCCCOC=NOC;VZOPHROMWGHNHS-UHFFFAOYSA-N;141.17;1.01;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_C3";;;;;;;1.46;;-0.15;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM449057;MM449057;N=C(C=CCCN)N1CC1;NASYRODDHDTTBC-UHFFFAOYSA-N;139.2;0.18;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_SP2";;;;;;;-0.24;;-7.04;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM449058;MM449058;C#CCCCON=CCN;KSBTXGTXZNGHAE-UHFFFAOYSA-N;140.19;0.36;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1_N0";;;;;;;0.34;;-2.94;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM449059;MM449059;CCCC=CC(=O)N1CC1;NSTBAARRGGWMOQ-UHFFFAOYSA-N;139.2;1.18;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1_SP2";;;;;;;1.8;;0.4;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM449060;MM449060;N#CC(=N)NOCCF;WCWFMRIJHAMBGL-UHFFFAOYSA-N;131.11;-0.02;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_P3";;;;;;;-0.33;;-2.01;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM449061;MM449061;CNCC=CC(=N)N1CC1;BJBTYIHHOYPUPB-UHFFFAOYSA-N;139.2;0.05;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_SP2";;;;;;;-0.24;;-6.92;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM449062;MM449062;C#CCOCOC=CCC;VMJLMXCLYSDORY-UHFFFAOYSA-N;140.18;1.53;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_Na";;;;;;;1.64;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM449063;MM449063;CNCC=CC(=O)N1CC1;UJCGYQZFPLHFMH-UHFFFAOYSA-N;140.19;-0.4;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_SP2";;;;;;;-0.24;;-5.32;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM449064;MM449064;C#CCOCOC=CCN;FHLNLSCZMAQIOW-UHFFFAOYSA-N;141.17;0.08;;;;;DOPC;MDCG;27;1;"MARTINI bead: P2_Na";;;;;;;-0.24;;-5.41;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM449065;MM449065;C=CCC=CC(=C)C1CC1;USMOAYKDHINUQE-UHFFFAOYSA-N;134.22;3.08;;;;;DOPC;MDCG;27;0;"MARTINI bead: C2_SC4";;;;;;;4.16;;0.44;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM449066;MM449066;C#CCOCOC=CCF;ZEPAMKYWJWWNLE-UHFFFAOYSA-N;144.15;1.09;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_P2";;;;;;;0.54;;-1.09;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM449067;MM449067;C=CCC=CC(=O)C1CC1;CVGOYLGNVRKDER-UHFFFAOYSA-N;136.19;2.1;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_SC5";;;;;;;2.41;;0.64;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM449068;MM449068;CC(=O)C(=N)N1CC1C;BJNCPOIATLQPBK-UHFFFAOYSA-N;126.16;0.26;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP1_Na";;;;;;;0.04;;-2.54;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM449069;MM449069;N#CCC=CC(=O)C1CC1;WKWSCCLYYZZIDS-UHFFFAOYSA-N;135.17;1.44;;;;;DOPC;MDCG;27;0;"MARTINI bead: N0_SNa";;;;;;;1.17;;-1.18;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM449070;MM449070;C#CCOCON=CCC;ZVOXCCREHVZVQH-UHFFFAOYSA-N;141.17;1.01;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_Na";;;;;;;0.87;;-2.22;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM449071;MM449071;C=CCC=CC(=C)C1CO1;PCHQGKSKWMJAIV-UHFFFAOYSA-N;136.19;2.07;;;;;DOPC;MDCG;27;0;"MARTINI bead: C2_SNa";;;;;;;2.83;;0.35;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM449072;MM449072;C#CC1CC(CF)=NN1;UHXJKKCOXLJTMZ-UHFFFAOYSA-N;126.13;0.31;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP1_SP1";;;;;;;-0.79;;-3.13;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM449073;MM449073;C=COC=CC(=C)C1CO1;ZPPATLCSUOYLFA-UHFFFAOYSA-N;138.17;1.62;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_SNa";;;;;;;1.64;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM449074;MM449074;C#CCCNCC=CCC;NCSSWJAOUNJNHZ-UHFFFAOYSA-N;137.23;1.57;;;;;DOPC;MDCG;27;1;"MARTINI bead: C3_Nd";;;;;;;2.57;;-0.74;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM449075;MM449075;C=CCC=CC(=N)N1CC1;CFLCJVUVLBEEHL-UHFFFAOYSA-N;136.2;1.41;;;;;DOPC;MDCG;27;1;"MARTINI bead: C2_SP2";;;;;;;1.72;;-3.1;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM449076;MM449076;C#CCCNCC=CCN;XTDCAPMIJDGFRU-UHFFFAOYSA-N;138.21;0.11;;;;;DOPC;MDCG;27;1;"MARTINI bead: P2_C5";;;;;;;0.54;;-3.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM449077;MM449077;C=CCC=CC(=O)N1CC1;MJIIJWNOTMBUNW-UHFFFAOYSA-N;137.18;0.96;;;;;DOPC;MDCG;27;0;"MARTINI bead: C2_SP2";;;;;;;1.72;;0.27;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM449078;MM449078;C#CCCNCC=CCF;PCBAJICUQWUKRH-UHFFFAOYSA-N;141.19;1.13;;;;;DOPC;MDCG;27;1;"MARTINI bead: Na_Nd";;;;;;;0.87;;-3.89;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM449079;MM449079;CC(C)(C)NNC(=N)C#N;WKNUNVNRHXCEPE-UHFFFAOYSA-N;140.19;0.38;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nd_P2";;;;;;;-0.24;;-3.16;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM449080;MM449080;C#CCCNCC=COC;ZQKHMDFRGCEHKB-UHFFFAOYSA-N;139.2;0.76;;;;;DOPC;MDCG;27;1;"MARTINI bead: Na_Nd";;;;;;;0.87;;-3.66;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM449081;MM449081;CC=NN=CC(C)C1CC1;BHRYWHUBZLHWAK-UHFFFAOYSA-N;138.21;2.11;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_SC3";;;;;;;3.34;;0.48;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM449082;MM449082;C#CCCOCC=CCC;GXTJYNWGAFLFFO-UHFFFAOYSA-N;138.21;1.99;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_C5";;;;;;;2.41;;0.64;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM449083;MM449083;CC=CC=CC(N)C1CN1;KVQQWFMGUDABIL-UHFFFAOYSA-N;138.21;0.42;;;;;DOPC;MDCG;27;1;"MARTINI bead: C4_SP2";;;;;;;1.09;;-1.99;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM449084;MM449084;C#CCCOCC=NOC;XJOOPXZEPPVELO-UHFFFAOYSA-N;141.17;0.66;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_Na";;;;;;;0.87;;-2.22;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM449085;MM449085;CC=CC=CC(C)C1CO1;CNSMINKSAMFJIP-UHFFFAOYSA-N;138.21;2.15;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1_SP1";;;;;;;2.08;;0.48;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM449086;MM449086;N#CC(CF)=NN1CC1;MHVDWUKBMHYGGM-UHFFFAOYSA-N;127.12;0.15;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_SP2";;;;;;;-1.06;;-3.82;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM449087;MM449087;CC=CC=CC(N)C1CO1;NPCMKZOGLOOFLM-UHFFFAOYSA-N;139.2;0.84;;;;;DOPC;MDCG;27;1;"MARTINI bead: C4_SP1";;;;;;;1.37;;-1.65;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM449088;MM449088;C#CCCCCC=CC=C;DKECCSKYGPHECN-UHFFFAOYSA-N;134.22;2.92;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1_C3";;;;;;;4.61;;0.31;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM449089;MM449089;CC=NN=CC(C)C1CO1;WPGAQVFNVAANHF-UHFFFAOYSA-N;140.19;1.1;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_SNa";;;;;;;1.64;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM449090;MM449090;C#CCCCCC=CC=O;GJSPUQPGEITAJP-UHFFFAOYSA-N;136.19;1.94;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_C3";;;;;;;2.57;;0.45;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM449091;MM449091;CC=NN=CC(C)N1CC1;ASGOERICCZOZRT-UHFFFAOYSA-N;139.2;0.77;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_SNd";;;;;;;1.64;;0.02;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM449092;MM449092;C#CCCCCC=CC#N;LXXKQHQNBCYJRU-UHFFFAOYSA-N;133.19;2.26;;;;;DOPC;MDCG;27;0;"MARTINI bead: C3_N0";;;;;;;2.87;;0.37;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM449093;MM449093;C=C(C=CC=CC)C1CC1;IAYYEWQHUJUPFB-UHFFFAOYSA-N;134.22;3.08;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1_SC4";;;;;;;4.24;;0.42;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM449094;MM449094;C#CCNCCC=CC=C;NGEFJDICTXFHLJ-UHFFFAOYSA-N;135.21;1.34;;;;;DOPC;MDCG;27;1;"MARTINI bead: C1_P2";;;;;;;1.8;;-0.81;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM449095;MM449095;C=CCCC(C)(O)C(C)C;AOFIKTOSEYPFAB-UHFFFAOYSA-N;142.24;2.36;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda_C3";;;;;;;2.57;;0.44;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM449096;MM449096;C#CCNCCC=NN=C;UQYRGLDLUBQZAN-UHFFFAOYSA-N;137.19;0.29;;;;;DOPC;MDCG;27;1;"MARTINI bead: C5_P2";;;;;;;0.54;;-2.49;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM449097;MM449097;CC#CC=CC(N)C1CN1;ZPJNFMISOBUGMY-UHFFFAOYSA-N;136.2;-0.14;;;;;DOPC;MDCG;27;1;"MARTINI bead: C5_SP2";;;;;;;0.54;;-2.72;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM449098;MM449098;CC#CC=CC(C)N1CC1;XGESSSPWQMUYQN-UHFFFAOYSA-N;135.21;1.27;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4_SNd";;;;;;;2.2;;0.33;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM449099;MM449099;C#CCOCCC=CC#N;PIXNQUPESZQDKJ-UHFFFAOYSA-N;135.17;1.11;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_N0";;;;;;;1.17;;-1.18;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM449100;MM449100;C#CCOCCC=NN=C;UTMSVUIRLUGDBY-UHFFFAOYSA-N;138.17;0.71;;;;;DOPC;MDCG;27;0;"MARTINI bead: N0_Na";;;;;;;1.17;;-1.18;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM449101;MM449101;CCCC#CC(C)C1CC1;CIQVUAJCWULEDE-UHFFFAOYSA-N;136.24;2.84;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1_SC5";;;;;;;3.68;;0.46;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM449102;MM449102;C#CCCCNC=CC#N;ZSLCFIAXEHYKNH-UHFFFAOYSA-N;134.18;1.03;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_Nd";;;;;;;1.64;;0.02;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM449103;MM449103;CC(C#CCCN)C1CC1;MCMUNJBTSNNRMA-UHFFFAOYSA-N;137.23;1.38;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_SC3";;;;;;;2.57;;-1.17;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM449104;MM449104;N#CC=CNN=CCF;CYRJABIBCXTQQC-UHFFFAOYSA-N;127.12;0.57;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_P1";;;;;;;0.81;;-0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM449105;MM449105;CC(C#CCCO)C1CC1;WVQSNAYRDDMMSX-UHFFFAOYSA-N;138.21;1.42;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda_SC3";;;;;;;2.57;;0.44;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM449106;MM449106;C#CCCCON=CC#N;QOSZYSYRKJVZCO-UHFFFAOYSA-N;136.15;0.93;;;;;DOPC;MDCG;27;0;"MARTINI bead: N0_Na";;;;;;;1.17;;-1.18;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM449107;MM449107;CCCC#CC(N)C1CC1;UNIFAIPCWPRTBT-UHFFFAOYSA-N;137.23;1.53;;;;;DOPC;MDCG;27;1;"MARTINI bead: C5_SC5";;;;;;;2.41;;0.35;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM449108;MM449108;C#CCOCOC=CC#N;QYLBJFVUFYWKLO-UHFFFAOYSA-N;137.14;0.65;;;;;DOPC;MDCG;27;0;"MARTINI bead: N0_P1";;;;;;;0.34;;-1.53;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM449109;MM449109;CCCC#CC(F)C1CC1;OXQHQIUGXOVJFF-UHFFFAOYSA-N;140.2;2.54;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1_SC5";;;;;;;3.68;;0.46;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM449110;MM449110;C#CCOCON=CC=O;ZDHGTKHCFJZSSO-UHFFFAOYSA-N;141.13;-0.21;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_N0";;;;;;;0.06;;-2.21;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM449111;MM449111;NCCC#CC(F)C1CC1;FBEHETJTPQVMRA-UHFFFAOYSA-N;141.19;1.09;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nda_SC5";;;;;;;1.64;;-2.29;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM449112;MM449112;C#CCCNCC=CC=O;JSWZMNIYZNQLTP-UHFFFAOYSA-N;137.18;0.35;;;;;DOPC;MDCG;27;1;"MARTINI bead: Na_Nd";;;;;;;0.87;;-3.62;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM449113;MM449113;CNCC#CC(C)C1CC1;VLXDJRKADOEXMF-UHFFFAOYSA-N;137.23;1.26;;;;;DOPC;MDCG;27;1;"MARTINI bead: P2_SC3";;;;;;;1.46;;-1.76;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM449114;MM449114;C#CCCOCC=CC=O;LVENJQVBTDWUDA-UHFFFAOYSA-N;138.17;0.78;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_C5";;;;;;;1.64;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM449115;MM449115;CC(C#CCCN)C1CN1;KBZWHPAXCNVFDE-UHFFFAOYSA-N;138.21;-0.05;;;;;DOPC;MDCG;27;1;"MARTINI bead: C5_SP2";;;;;;;0.54;;-3.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM449116;MM449116;C#CCCOCC=CC#N;DSAHYRQVICKURU-UHFFFAOYSA-N;135.17;1.11;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_P1";;;;;;;0.81;;-0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM449117;MM449117;CCCC#CC(F)C1CN1;VTUZZBVXLIURTI-UHFFFAOYSA-N;141.19;1.1;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1_SP2";;;;;;;1.8;;0.41;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM449118;MM449118;C#CCCOCC=NN=C;BSLHFNWGOAXOLG-UHFFFAOYSA-N;138.17;0.71;;;;;DOPC;MDCG;27;0;"MARTINI bead: N0_Na";;;;;;;1.17;;-1.18;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM449119;MM449119;NCCC#CC(F)C1CN1;QNHIHFWYJFWMIL-UHFFFAOYSA-N;142.18;-0.35;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nda_SP2";;;;;;;-0.24;;-5.71;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM449120;MM449120;C#CC=CCCCCC#C;BOSCUKZGPKPSKW-UHFFFAOYSA-N;132.21;2.37;;;;;DOPC;MDCG;27;0;"MARTINI bead: C3_C4";;;;;;;3.9;;0.47;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM449121;MM449121;CNCC#CC(C)C1CN1;WLIQWTLRJIGLNS-UHFFFAOYSA-N;138.21;-0.18;;;;;DOPC;MDCG;27;1;"MARTINI bead: C5_SP2";;;;;;;0.54;;-2.81;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM449122;MM449122;C#CC=CCCNCC#C;WERHBLSQXUAWJF-UHFFFAOYSA-N;133.19;0.79;;;;;DOPC;MDCG;27;1;"MARTINI bead: P2_C4";;;;;;;1.09;;-2.24;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM449123;MM449123;CCCC#CC(C)C1CO1;RSHQFCRUBKXGJO-UHFFFAOYSA-N;138.21;1.82;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1_SP1";;;;;;;2.08;;0.48;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM449124;MM449124;C#CC=CCCOCC#C;JSKYYKQRILTCRQ-UHFFFAOYSA-N;134.18;1.22;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_C4";;;;;;;2.2;;0.34;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM449125;MM449125;CC(C#CCCN)C1CO1;UFVUGJWHOVDKTC-UHFFFAOYSA-N;139.2;0.37;;;;;DOPC;MDCG;27;1;"MARTINI bead: C5_SP1";;;;;;;0.81;;-2.93;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM449126;MM449126;C#CC=NNCCCC#C;KSCCPGGTTYACOF-UHFFFAOYSA-N;134.18;0.61;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_P1";;;;;;;0.81;;-0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM449127;MM449127;CCCC#CC(N)C1CO1;JRUBBKSKLYHDRB-UHFFFAOYSA-N;139.2;0.52;;;;;DOPC;MDCG;27;1;"MARTINI bead: C5_SP1";;;;;;;0.81;;-1.5;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM449128;MM449128;C#CC=COCCCC#C;GCMQANKWDPVZTG-UHFFFAOYSA-N;134.18;1.56;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_N0";;;;;;;1.94;;0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM449129;MM449129;NCCC#CC(O)C1CO1;NEMGXBMXNDUKQV-UHFFFAOYSA-N;141.17;-0.9;;;;;DOPC;MDCG;27;1;"MARTINI bead: P2_SP1";;;;;;;-1.06;;-6.22;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM449130;MM449130;C#CC=COCOCC#C;ZCKAQLKHOLRKJG-UHFFFAOYSA-N;136.15;0.76;;;;;DOPC;MDCG;27;0;"MARTINI bead: N0_Na";;;;;;;1.17;;-1.18;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM449131;MM449131;CCCC#CC(F)C1CO1;BQXIBQADMFPGDV-UHFFFAOYSA-N;142.17;1.53;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1_SP1";;;;;;;2.08;;0.48;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM449132;MM449132;C#CC=NOCOCC#C;OYAFZCMVGXMBAW-UHFFFAOYSA-N;137.14;0.23;;;;;DOPC;MDCG;27;0;"MARTINI bead: N0_P1";;;;;;;0.34;;-1.53;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM449133;MM449133;NCCC#CC(F)C1CO1;BVSNXOXKFJLBMZ-UHFFFAOYSA-N;143.16;0.08;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nda_SP1";;;;;;;0.04;;-5.12;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM449134;MM449134;C#CC=CCNCCC#C;AXDJXRDJZGQRAJ-UHFFFAOYSA-N;133.19;0.79;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_C4";;;;;;;2.2;;-1.36;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM449135;MM449135;CCCC#CC(C)N1CC1;AKBMBHWEMGJBCN-UHFFFAOYSA-N;137.23;1.49;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1_SP2";;;;;;;1.8;;0.41;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM449136;MM449136;CC=CCCCC=CCC;HIPQYVJOMHDTRF-UHFFFAOYSA-N;138.25;3.7;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1_C1";;;;;;;4.95;;0.69;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM449137;MM449137;CC(C#CCCN)N1CC1;YIXBLZDCUZJBRC-UHFFFAOYSA-N;138.21;0.04;;;;;DOPC;MDCG;27;1;"MARTINI bead: C5_SP2";;;;;;;0.54;;-3.51;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM449138;MM449138;CC=CCCCC=CCN;BGTHWCLKCKFTQB-UHFFFAOYSA-N;139.24;2.25;;;;;DOPC;MDCG;27;1;"MARTINI bead: C1_P1";;;;;;;2.08;;-0.65;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM449139;MM449139;CNCC#CC(C)N1CC1;FFWBUSNYCRGOFW-UHFFFAOYSA-N;138.21;-0.09;;;;;DOPC;MDCG;27;1;"MARTINI bead: C5_SP2";;;;;;;0.54;;-2.77;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM449140;MM449140;CC=CCCCC=CCO;BGHCBBYEZNJGDS-UHFFFAOYSA-N;140.23;2.28;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1_Nda";;;;;;;2.91;;0.57;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM449141;MM449141;C=CCC#CC(C)C1CC1;UNTVLKUOMHZNEL-UHFFFAOYSA-N;134.22;2.61;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1_SC5";;;;;;;3.68;;0.46;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM449142;MM449142;CCC=CCCCC=NN;BDRSAPPQIAYMNU-UHFFFAOYSA-N;140.23;2.07;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1_Nd";;;;;;;2.91;;0.64;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM449143;MM449143;CC(C#CCC#N)C1CC1;HYVMRCCTHCBXKK-UHFFFAOYSA-N;133.19;1.95;;;;;DOPC;MDCG;27;0;"MARTINI bead: N0_SC5";;;;;;;1.94;;0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM449144;MM449144;C#CCC(=N)NN=C(C)C;CGKJGGDKXSOGBN-UHFFFAOYSA-N;137.19;0.97;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nd_Nd";;;;;;;0.87;;-2.11;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM449145;MM449145;C=CCC#CC(N)C1CC1;KRRIMPCEKIJYDJ-UHFFFAOYSA-N;135.21;1.3;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_SC5";;;;;;;1.64;;-1.69;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM449146;MM449146;NCC=CCCCC=NO;UYCURPNMBAYLHN-UHFFFAOYSA-N;142.2;1.13;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_Nda";;;;;;;0.87;;-4.13;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM449147;MM449147;C=CCC#CC(O)C1CC1;OEWVCDABORAGST-UHFFFAOYSA-N;136.19;1.34;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda_SC5";;;;;;;1.64;;0.05;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM449148;MM449148;CC=CCCCC=NNC;KPWZESUBHNZBKE-UHFFFAOYSA-N;140.23;1.94;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_C1";;;;;;;1.8;;0.4;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM449149;MM449149;O=CCC#CC(O)C1CC1;IVGQLTAAUJNMLI-UHFFFAOYSA-N;138.17;0.35;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_SC5";;;;;;;0.81;;-0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM449150;MM449150;CNN=CCCCC=NN;RILIHXDFGPDXCN-UHFFFAOYSA-N;142.21;0.31;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_C5";;;;;;;0.54;;-1.09;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM449151;MM449151;N#CCC#CC(O)C1CC1;MCAIVAXQBVAASJ-UHFFFAOYSA-N;135.17;0.67;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_SC5";;;;;;;0.81;;-0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM449152;MM449152;CCC=CCCN=CNC;IGOPYRPUUCSPHJ-UHFFFAOYSA-N;140.23;1.59;;;;;DOPC;MDCG;27;1;"MARTINI bead: C1_P1";;;;;;;2.08;;-2.12;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM449153;MM449153;C=CCC#CC(F)C1CC1;HJEJBHJPJXADMF-UHFFFAOYSA-N;138.19;2.31;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4_SC5";;;;;;;2.97;;0.45;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM449154;MM449154;CCC=CCCN=CNN;XKSDCAQXIXVTNB-UHFFFAOYSA-N;141.22;0.83;;;;;DOPC;MDCG;27;1;"MARTINI bead: C1_P3";;;;;;;0.94;;-1.81;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM449155;MM449155;O=CCC#CC(F)C1CC1;OHLOXRQGDIGGJL-UHFFFAOYSA-N;140.16;1.33;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_SC5";;;;;;;1.64;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM449156;MM449156;NN=CNCCC=CCO;CJVKRRSYRCDRTL-UHFFFAOYSA-N;143.19;-0.58;;;;;DOPC;MDCG;27;1;"MARTINI bead: P2_Nda";;;;;;;-0.24;;-4.77;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM449157;MM449157;N#CCC#CC(F)C1CC1;CNBGTUUVUNSAPA-UHFFFAOYSA-N;137.16;1.65;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_SC5";;;;;;;1.64;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM449158;MM449158;CNC=NCCC=COC;KMNUONRTWSEMDV-UHFFFAOYSA-N;142.2;0.78;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_Na";;;;;;;0.87;;-5.65;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM449159;MM449159;C=CCC#CC(F)C1CN1;OKLAVMGICMWSLF-UHFFFAOYSA-N;139.17;0.88;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4_SP2";;;;;;;1.09;;-0.37;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM449160;MM449160;CC=NNCCC=CCC;LZQSNVDZKJYSME-UHFFFAOYSA-N;140.23;1.94;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1_Nd";;;;;;;2.91;;0.64;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM449161;MM449161;C=NNCC(N)=CC(C)=O;KZFOUJSKDJQRIK-UHFFFAOYSA-N;141.17;-0.38;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_P2";;;;;;;-0.24;;-3.24;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM449162;MM449162;C#CC(C)NN=CC(C)F;VOGDMGNURGQJNP-UHFFFAOYSA-N;142.18;0.94;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda_C5";;;;;;;1.64;;0.05;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM449163;MM449163;C=CCC(C)C(C)(O)CC;DTTUOZKETSJINV-UHFFFAOYSA-N;142.24;2.36;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda_C1";;;;;;;2.91;;0.57;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM449164;MM449164;CC=NNCCC=NOC;BQZSCABVOBCWPK-UHFFFAOYSA-N;143.19;0.6;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_Nd";;;;;;;0.87;;-1.88;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM449165;MM449165;C=CCC#CC(C)C1CO1;IVIUTYWYCYXFIY-UHFFFAOYSA-N;136.19;1.6;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1_SP1";;;;;;;2.08;;0.48;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM449166;MM449166;CC=COCCC=CCC;UTGXGFMKJZQGPD-UHFFFAOYSA-N;140.23;2.89;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1_C5";;;;;;;3.68;;0.46;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM449167;MM449167;CC(C#CCC#N)C1CO1;MSSPSCKKCUOYCY-UHFFFAOYSA-N;135.17;0.94;;;;;DOPC;MDCG;27;0;"MARTINI bead: N0_SP1";;;;;;;0.34;;-1.53;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM449168;MM449168;CCC=CCCOC=CF;SYTCVPLBDFXBHE-UHFFFAOYSA-N;144.19;2.8;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1_Na";;;;;;;2.91;;0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM449169;MM449169;N#CCC#CC(O)C1CO1;BVSDNGUWAPKKOP-UHFFFAOYSA-N;137.14;-0.34;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_SP1";;;;;;;-0.79;;-3.13;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM449170;MM449170;C#CC(C)=CC(=N)NN=C;KKNQCKWPXGYKAS-UHFFFAOYSA-N;135.17;0.75;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_P2";;;;;;;0.54;;-1.09;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM449171;MM449171;C=CCC#CC(F)C1CO1;BDWBYVCYYOOLBN-UHFFFAOYSA-N;140.16;1.3;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4_SP1";;;;;;;1.37;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM449172;MM449172;ON=COCCC=CCF;YYXCCZWBLVCHHH-UHFFFAOYSA-N;147.15;1.34;;;;;DOPC;MDCG;27;0;"MARTINI bead: P3_C2";;;;;;;0.86;;-0.3;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM449173;MM449173;O=CCC#CC(F)C1CO1;ISSRTXPLFAQXIN-UHFFFAOYSA-N;142.13;0.32;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_SP1";;;;;;;0.04;;-2.54;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM449174;MM449174;COC=CCCOC=NO;GEMQFDKAQNVMQW-UHFFFAOYSA-N;145.16;0.97;;;;;DOPC;MDCG;27;0;"MARTINI bead: C3_P3";;;;;;;0.6;;-0.8;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM449175;MM449175;N#CCC#CC(F)C1CO1;FMTOYYIQMFGMNU-UHFFFAOYSA-N;139.13;0.64;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_SP1";;;;;;;0.04;;-2.54;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM449176;MM449176;CNN=CCCOC=NO;JXBRWLZGYYPADM-UHFFFAOYSA-N;145.16;0.02;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_Nda";;;;;;;-0.24;;-3.31;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM449177;MM449177;C=CCC#CC(C)N1CC1;RSZPYGDKZPWWGK-UHFFFAOYSA-N;135.21;1.27;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1_SP2";;;;;;;1.8;;0.41;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM449178;MM449178;CC=NOCCC=CCC;PDYDUQQSDAJOGY-UHFFFAOYSA-N;141.21;2.37;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1_Na";;;;;;;2.91;;0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM449179;MM449179;C=C(CC#N)CNN=CC;RWXACFJGNALXFG-UHFFFAOYSA-N;137.19;1.05;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nd_N0";;;;;;;1.17;;-1.04;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM449180;MM449180;Nc1cc(F)n(N)c(=O)c1;AHKIAFSFASINJY-UHFFFAOYSA-N;143.12;-0.72;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNd_SP1";;;;;;;0.04;;-2.63;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM449181;MM449181;C#CC1CN(C(C)=N)C1=O;DPWAYYAWNRGBCO-UHFFFAOYSA-N;136.15;0.08;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP2_SP2";;;;;;;-1.34;;-4.31;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM449182;MM449182;CC=NOCCC=NNC;SMVZCWVFYFODBC-UHFFFAOYSA-N;143.19;0.6;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_C5";;;;;;;0.54;;-1.09;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM449183;MM449183;C#CCC#CC(C)C1CC1;RJPOZXFUQPFZKA-UHFFFAOYSA-N;132.21;2.06;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1_SC5";;;;;;;3.68;;0.46;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM449184;MM449184;CCN=CNCCC=NO;RUNOPYXKMUOTPJ-UHFFFAOYSA-N;143.19;0.47;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_P1";;;;;;;0.04;;-6.41;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM449185;MM449185;C#CCC#CC(N)C1CC1;YQGZHNOZSRGOFF-UHFFFAOYSA-N;133.19;0.75;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_SC5";;;;;;;1.64;;-1.67;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM449186;MM449186;CNN=CNCCC=NO;BIPMIBLCKHKAEM-UHFFFAOYSA-N;144.18;-0.41;;;;;DOPC;MDCG;27;1;"MARTINI bead: P2_P1";;;;;;;-1.06;;-5.12;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM449187;MM449187;C#CCC#CC(O)C1CC1;QCSUHZHYZGOFIY-UHFFFAOYSA-N;134.18;0.78;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda_SC5";;;;;;;1.64;;0.05;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM449188;MM449188;CC(=O)C#CCC1CN1C;NLAVCHLNHUKXQQ-UHFFFAOYSA-N;137.18;0.28;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNd_Na";;;;;;;0.87;;-1.88;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM449189;MM449189;C#CCC#CC(F)C1CC1;PVBUXCWTPHFUPS-UHFFFAOYSA-N;136.17;1.76;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4_SC5";;;;;;;2.97;;0.45;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM449190;MM449190;OCC=NNCCC=NO;QHORPGAPFXCOMC-UHFFFAOYSA-N;145.16;-0.6;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_P1";;;;;;;-1.06;;-3.82;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM449191;MM449191;C#CCC#CC(F)C1CN1;QSHNVGXKRIHUKD-UHFFFAOYSA-N;137.16;0.32;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4_SP2";;;;;;;1.09;;-0.37;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM449192;MM449192;CC=CCCOC=CCC;YMALQWZITHWWLH-UHFFFAOYSA-N;140.23;2.89;;;;;DOPC;MDCG;27;0;"MARTINI bead: C3_C5";;;;;;;3.34;;0.48;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM449193;MM449193;C#CCC#CC(C)C1CO1;LKGFFSYUNCTASF-UHFFFAOYSA-N;134.18;1.05;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1_SP1";;;;;;;2.08;;0.48;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM449194;MM449194;NCC=COCCC=CF;KFMSEDFKSSNFRX-UHFFFAOYSA-N;145.18;1.35;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1_C4";;;;;;;1.37;;-2.12;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM449195;MM449195;C#CCC#CC(O)C1CO1;BTKANCMRGDXLSJ-UHFFFAOYSA-N;136.15;-0.23;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda_SP1";;;;;;;0.04;;-2.73;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM449196;MM449196;CC=CCCOC=COC;HIPLFIZFWJNJIV-UHFFFAOYSA-N;142.2;2.09;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_C1";;;;;;;2.08;;0.48;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM449197;MM449197;C#CCC#CC(F)C1CO1;IMPQNIPLCCRSNE-UHFFFAOYSA-N;138.14;0.75;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4_SP1";;;;;;;1.37;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM449198;MM449198;NN=CCCOC=CCF;XJTBRFXQSANBRU-UHFFFAOYSA-N;146.17;0.82;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nd_Na";;;;;;;0.87;;-1.88;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM449199;MM449199;C#CCC#CC(C)N1CC1;VOSLMMWQVDLACY-UHFFFAOYSA-N;133.19;0.72;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1_SP2";;;;;;;1.8;;0.41;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM449200;MM449200;CC=CCCOC=NOC;LZTRAGHFVLNDPV-UHFFFAOYSA-N;143.19;1.56;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_C1";;;;;;;1.8;;0.4;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM449201;MM449201;C=C(C#CCCC)C1CC1;RDSUNZYIPNWOBJ-UHFFFAOYSA-N;134.22;2.76;;;;;DOPC;MDCG;27;0;"MARTINI bead: C3_SC4";;;;;;;3.9;;0.47;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM449202;MM449202;CNN=COCCC=NO;DKJNIDISHVPIAV-UHFFFAOYSA-N;145.16;0.02;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_Nda";;;;;;;-0.24;;-3.31;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM449203;MM449203;C=C(C#CCCN)C1CC1;RTXYEGXKECVPQD-UHFFFAOYSA-N;135.21;1.3;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_SC4";;;;;;;2.2;;-1.83;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM449204;MM449204;CON=COCCC=NO;ZFRNIVDOMHLGIP-UHFFFAOYSA-N;146.15;0.44;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_P1";;;;;;;0.04;;-2.54;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM449205;MM449205;C=C(C#CCCO)C1CC1;FSWWIYCYLNQIJQ-UHFFFAOYSA-N;136.19;1.34;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda_SC4";;;;;;;2.2;;0.49;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM449206;MM449206;C#CCCC(F)C=NN=C;XWSKMTUTMSKRHK-UHFFFAOYSA-N;140.16;1.42;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_Na";;;;;;;1.64;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM449207;MM449207;CCCC#CC(=O)C1CC1;CTXVBFFGYYPHGH-UHFFFAOYSA-N;136.19;1.77;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4_SC5";;;;;;;2.97;;0.45;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM449208;MM449208;CC=CCCON=COC;WLRMFENFFFRIKJ-UHFFFAOYSA-N;143.19;1.56;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_C2";;;;;;;2.83;;0.35;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM449209;MM449209;C=C(C#CCNC)C1CC1;ABLXWIJKYMSDIO-UHFFFAOYSA-N;135.21;1.18;;;;;DOPC;MDCG;27;1;"MARTINI bead: P2_SC4";;;;;;;1.09;;-1.97;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM449210;MM449210;CCC=NOCCC=NN;OPUHAORGVUMECI-UHFFFAOYSA-N;143.19;0.73;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_Nd";;;;;;;0.87;;-1.88;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM449211;MM449211;CNCC#CC(=O)C1CC1;VVBATVVYCZRRGT-UHFFFAOYSA-N;137.18;0.19;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nda_SC5";;;;;;;1.64;;-0.96;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM449212;MM449212;OCC=NOCCC=NO;VKRDHZVWPMXXME-UHFFFAOYSA-N;146.15;-0.17;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_P1";;;;;;;-0.79;;-3.13;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM449213;MM449213;C=C(C#CCCC)C1CN1;NNQPREYGBAYQBQ-UHFFFAOYSA-N;135.21;1.32;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1_SP2";;;;;;;1.8;;0.45;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM449214;MM449214;ON=CCCON=CCF;MKUYGHBOPCPHBG-UHFFFAOYSA-N;148.14;0.81;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_Na";;;;;;;0.04;;-2.54;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM449215;MM449215;C=C(C#CCCN)C1CN1;BDQZIOPUDIXNLX-UHFFFAOYSA-N;136.2;-0.13;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_SP1";;;;;;;0.04;;-5.03;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM449216;MM449216;COC=NOCCC=NO;IXDKSWTZMPUVFI-UHFFFAOYSA-N;146.15;0.44;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_P1";;;;;;;0.04;;-2.54;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM449217;MM449217;C=CCCC(O)(CC)CC;PBSBQSCDSYVMFL-UHFFFAOYSA-N;142.24;2.5;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_C3";;;;;;;3.34;;0.48;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM449218;MM449218;NCC=COCOC=CF;COLDKJXQNHBEOK-UHFFFAOYSA-N;147.15;0.89;;;;;DOPC;MDCG;27;1;"MARTINI bead: P2_C5";;;;;;;0.54;;-3.25;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM449219;MM449219;C=C(C#CCNC)C1CN1;JQRALYLBXKTQIE-UHFFFAOYSA-N;136.2;-0.26;;;;;DOPC;MDCG;27;1;"MARTINI bead: P2_SP1";;;;;;;-1.06;;-5.45;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM449220;MM449220;OCC=COCOC=CF;ZXPAKDXMLDURAJ-UHFFFAOYSA-N;148.13;0.92;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_C5";;;;;;;0.54;;-1.09;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM449221;MM449221;CNCC#CC(=O)C1CN1;OBAIAOKHZLSYMX-UHFFFAOYSA-N;138.17;-1.25;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nda_SP2";;;;;;;-0.24;;-4.38;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM449222;MM449222;CC=COCOC=COC;WGUGFJKQJIFBLD-UHFFFAOYSA-N;144.17;1.63;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_Na";;;;;;;0.87;;-2.22;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM449223;MM449223;C=C(C#CCCC)C1CO1;OVNKBMCSAPLCJL-UHFFFAOYSA-N;136.19;1.74;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1_SP1";;;;;;;2.08;;0.48;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM449224;MM449224;COC=COCOC=CF;OOAIFVNUNJJQAG-UHFFFAOYSA-N;148.13;1.54;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_Na";;;;;;;0.87;;-2.22;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM449225;MM449225;C=C(C#CCCN)C1CO1;HUOVLMCIXOVGIK-UHFFFAOYSA-N;137.18;0.29;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_SP1";;;;;;;0.04;;-5.02;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM449226;MM449226;C=C(C#N)C=NNCC#N;JRNRYVIGOJMDKZ-UHFFFAOYSA-N;134.14;0.17;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_N0";;;;;;;0.34;;-1.53;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM449227;MM449227;CCCC#CC(=O)C1CO1;UNHWVRIVURRJOY-UHFFFAOYSA-N;138.17;0.76;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4_SP1";;;;;;;1.37;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM449228;MM449228;CCC=COCOC=NO;RKNCUYFRUBKTGJ-UHFFFAOYSA-N;145.16;1.32;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_P2";;;;;;;0.54;;-1.09;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM449229;MM449229;CCCC#CC(=N)N1CC1;OMCFCHAJUIJHTK-UHFFFAOYSA-N;136.2;1.08;;;;;DOPC;MDCG;27;1;"MARTINI bead: C3_SP2";;;;;;;1.46;;-2.01;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM449230;MM449230;NCC=COCOC=NO;BKYHVDBIVRXXGN-UHFFFAOYSA-N;146.15;-0.13;;;;;DOPC;MDCG;27;1;"MARTINI bead: P2_P1";;;;;;;-1.06;;-6.69;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM449231;MM449231;N=C(C#CCCN)N1CC1;NHJQVVTXHJVXDY-UHFFFAOYSA-N;137.19;-0.37;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_SP2";;;;;;;-0.24;;-5.47;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM449232;MM449232;CC#CC(C#N)C=NNC;XCKBTAIRONFCGI-UHFFFAOYSA-N;135.17;0.35;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_C5";;;;;;;0.54;;-1.09;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM449233;MM449233;N=C(C#CCCO)N1CC1;RSSCENGGSNXSDC-UHFFFAOYSA-N;138.17;-0.33;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nda_SP2";;;;;;;-0.24;;-5.26;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM449234;MM449234;CC=COCOC=NOC;RYKINQLWMNZSPD-UHFFFAOYSA-N;145.16;1.1;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_Na";;;;;;;0.87;;-2.22;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM449235;MM449235;CCCC#CC(=O)N1CC1;SJGWSZHQEKLTCQ-UHFFFAOYSA-N;137.18;0.63;;;;;DOPC;MDCG;27;0;"MARTINI bead: C3_SP2";;;;;;;1.46;;-0.15;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM449236;MM449236;CON=COCOC=CF;NNCLXUISKHXWAW-UHFFFAOYSA-N;149.12;1.01;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_Na";;;;;;;0.87;;-2.22;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM449237;MM449237;NCCC#CC(=O)N1CC1;OXKWZIQJZZTOJN-UHFFFAOYSA-N;138.17;-0.82;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_SP2";;;;;;;-0.24;;-5.17;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM449238;MM449238;CNN=COCOC=NO;WGFITSXEKSTYNK-UHFFFAOYSA-N;147.13;-0.44;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_P1";;;;;;;-1.06;;-3.82;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM449239;MM449239;CNCC#CC(=N)N1CC1;HJFXXCGAYJVFEF-UHFFFAOYSA-N;137.19;-0.5;;;;;DOPC;MDCG;27;1;"MARTINI bead: P2_SP2";;;;;;;-1.34;;-6.15;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM449240;MM449240;CC=NOCOC=CCF;SRNMLQVTSPRROR-UHFFFAOYSA-N;147.15;1.47;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_Na";;;;;;;0.87;;-2.22;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM449241;MM449241;CNCC#CC(=O)N1CC1;WSWJZBOWEVBGLZ-UHFFFAOYSA-N;138.17;-0.95;;;;;DOPC;MDCG;27;1;"MARTINI bead: P2_SP2";;;;;;;-1.34;;-5.47;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM449242;MM449242;CC=COCON=CCC;WRRGRFZPCQIKIQ-UHFFFAOYSA-N;143.19;1.91;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_C4";;;;;;;2.2;;0.34;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM449243;MM449243;C=CCC#CC(=C)C1CC1;DXGJGVFKMLBUGH-UHFFFAOYSA-N;132.21;2.53;;;;;DOPC;MDCG;27;0;"MARTINI bead: C2_SC5";;;;;;;3.6;;0.34;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM449244;MM449244;CC=COCON=CCN;SLOJLBVVTOXMER-UHFFFAOYSA-N;144.17;0.46;;;;;DOPC;MDCG;27;1;"MARTINI bead: C4_P3";;;;;;;0.23;;-2.43;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM449245;MM449245;CC#CC1CC(CF)=NN1;WOWBDOJLODFKQX-UHFFFAOYSA-N;140.16;0.7;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNd_SP1";;;;;;;0.04;;-2.63;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM449246;MM449246;C=C(C#CCC=O)C1CC1;RNSXDRBHISLEIS-UHFFFAOYSA-N;134.18;1.55;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_SC4";;;;;;;2.2;;0.34;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM449247;MM449247;C=NN=CCNN=CCF;HQBSJXUKCITRIV-UHFFFAOYSA-N;144.15;0.22;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_C5";;;;;;;0.81;;-0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM449248;MM449248;C=C(C#CCC#N)C1CC1;KIPZQWDIYONXOT-UHFFFAOYSA-N;131.18;1.87;;;;;DOPC;MDCG;27;0;"MARTINI bead: N0_SC5";;;;;;;1.94;;0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM449249;MM449249;CCC=NOCOC=CF;RCMFUJCPBIDYLH-UHFFFAOYSA-N;147.15;1.81;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_Na";;;;;;;0.87;;-2.22;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM449250;MM449250;C=CCC#CC(=O)C1CC1;QSZOQIJKZSBTHJ-UHFFFAOYSA-N;134.18;1.55;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_SC5";;;;;;;2.41;;0.64;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM449251;MM449251;CC=COCON=COC;LYWXSJVWDVSJHV-UHFFFAOYSA-N;145.16;1.1;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_Na";;;;;;;0.87;;-2.22;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM449252;MM449252;O=CCC#CC(=O)C1CC1;ZBGJJXLASIVJJB-UHFFFAOYSA-N;136.15;0.56;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_SC5";;;;;;;1.64;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM449253;MM449253;COC=NOCOC=CF;RZWBPRRLPYGPOD-UHFFFAOYSA-N;149.12;1.01;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_Na";;;;;;;0.87;;-2.22;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM449254;MM449254;N#CCC#CC(=O)C1CC1;YLBAOBYWPFXURT-UHFFFAOYSA-N;133.15;0.88;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_SC5";;;;;;;1.64;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM449255;MM449255;C#CC1C(C#C)N1N=CC;MMLQWNODHJWKNF-UHFFFAOYSA-N;132.17;0.31;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP1_N0";;;;;;;0.34;;-1.53;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM449256;MM449256;C=CCC#CC(=C)C1CN1;IWZRVDXMHRNONX-UHFFFAOYSA-N;133.19;1.09;;;;;DOPC;MDCG;27;0;"MARTINI bead: C2_SP2";;;;;;;1.72;;0.31;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM449257;MM449257;OCC=NOCOC=NO;NJHPIGOQOMWEDL-UHFFFAOYSA-N;148.12;-0.63;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_P2";;;;;;;-1.34;;-4.31;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM449258;MM449258;CN=C(C=O)NC=C(C)F;FGIQQJCWQYLQJX-UHFFFAOYSA-N;144.15;0.63;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_C5";;;;;;;0.54;;-1.09;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM449259;MM449259;CC=CCNCC=CCN;YPSKNGGEUHSWOE-UHFFFAOYSA-N;140.23;0.67;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_Nd";;;;;;;0.87;;-4.47;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM449260;MM449260;CN1C(=N)C(=O)C2CC21C;GUHWXDZWIYXHEZ-UHFFFAOYSA-N;138.17;0.26;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP1_SN0";;;;;;;0.34;;-1.53;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM449261;MM449261;CC=CCNCC=CCO;HMUGAJADVVJKHK-UHFFFAOYSA-N;141.21;0.7;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_Nda";;;;;;;0.87;;-3.33;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM449262;MM449262;N#CC1=C(N)C(=O)C(F)=C1;SXRXQZQGNVDMQG-UHFFFAOYSA-N;138.1;0.16;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNd_SNa";;;;;;;0.87;;-1.88;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM449263;MM449263;CCC=CCNN=CNC;AFWFUFWPTDQAJR-UHFFFAOYSA-N;141.22;0.7;;;;;DOPC;MDCG;27;1;"MARTINI bead: C1_P3";;;;;;;0.94;;-1.48;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM449264;MM449264;C=NNCCC(C#N)OC;MZMXIQZIMSPXRG-UHFFFAOYSA-N;141.17;0.12;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_Nd";;;;;;;0.04;;-2.63;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM449265;MM449265;N=c1nnoc(N)c1CF;FSOKJKAFOAQBAS-UHFFFAOYSA-N;144.11;-0.4;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP2_SP2";;;;;;;-1.34;;-4.31;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM449266;MM449266;C#CC(C#C)C(C)ON=C;SKJQVXIEQDAZHJ-UHFFFAOYSA-N;135.17;0.89;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_N0";;;;;;;1.17;;-1.18;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM449267;MM449267;NCC=CCNN=CNO;SOVVGVUPAZVLML-UHFFFAOYSA-N;144.18;-0.99;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_P4";;;;;;;-1.19;;-7.04;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM449268;MM449268;C=CCC#CC(=C)C1CO1;ZNNVCPSXFXPXIY-UHFFFAOYSA-N;134.18;1.52;;;;;DOPC;MDCG;27;0;"MARTINI bead: C2_SP1";;;;;;;2;;0.29;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM449269;MM449269;CNC=NNCC=COC;XUBLYBCVYAPRGR-UHFFFAOYSA-N;143.19;-0.1;;;;;DOPC;MDCG;27;1;"MARTINI bead: P2_Na";;;;;;;-0.24;;-4.92;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM449270;MM449270;C=C(C#CCC#N)C1CO1;ONNCKXLCAYHMOW-UHFFFAOYSA-N;133.15;0.86;;;;;DOPC;MDCG;27;0;"MARTINI bead: N0_SP1";;;;;;;0.34;;-1.53;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM449271;MM449271;C=CCC#CC(=O)C1CO1;PPCGWEBQJXZLND-UHFFFAOYSA-N;136.15;0.53;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_SP1";;;;;;;0.81;;-0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM449272;MM449272;CC1(C#N)CC=NN1;LIXBWLRGCIMJBU-UHFFFAOYSA-N;109.13;0.25;;;;;DOPC;MDCG;27;0;"MARTINI bead: SN0_SP1";;;;;;;0.34;;-1.53;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM449273;MM449273;O=CCC#CC(=O)C1CO1;GKKQANZSYXXSKL-UHFFFAOYSA-N;138.12;-0.45;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_SP1";;;;;;;0.04;;-2.54;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM449274;MM449274;C=CC(C#N)NN=C;GEUAKCMIZBFSCY-UHFFFAOYSA-N;109.13;0.27;;;;;DOPC;MDCG;27;0;"MARTINI bead: N0_P1";;;;;;;0.34;;-1.53;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM449275;MM449275;N#CCC#CC(=O)C1CO1;KAFWNLPCDWZTNO-UHFFFAOYSA-N;135.12;-0.13;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_SP1";;;;;;;0.04;;-2.54;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM449276;MM449276;CC=CCNNC=NCC;MRPYYNJRYCQDLA-UHFFFAOYSA-N;141.22;0.7;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_Nd";;;;;;;0.87;;-4.15;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM449277;MM449277;C=CCC#CC(=N)N1CC1;LDHPUDTZCFPRMW-UHFFFAOYSA-N;134.18;0.86;;;;;DOPC;MDCG;27;1;"MARTINI bead: C5_SP2";;;;;;;0.54;;-3.01;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM449278;MM449278;CC=CCNNC=NOC;VHLMBMFEFFYNDP-UHFFFAOYSA-N;143.19;0.25;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_Nd";;;;;;;0.04;;-2.63;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM449279;MM449279;CCN=CNNCC=NN;RPKYLQDYEBGDGX-UHFFFAOYSA-N;143.19;-0.93;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_P3";;;;;;;-1.1;;-5.95;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM449280;MM449280;N=C(C#CCC=O)N1CC1;WCUCJYNJRYXIRP-UHFFFAOYSA-N;136.15;-0.13;;;;;DOPC;MDCG;27;1;"MARTINI bead: Na_SP2";;;;;;;-0.24;;-5.13;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM449281;MM449281;NCC=CCOCC=NO;NBJHSQLMCHGJSK-UHFFFAOYSA-N;144.17;-0.02;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_P2";;;;;;;-0.24;;-5.45;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM449282;MM449282;N#CCC#CC(=N)N1CC1;KHJIDOKSVMDFNM-UHFFFAOYSA-N;133.15;0.2;;;;;DOPC;MDCG;27;1;"MARTINI bead: N0_SP2";;;;;;;0.06;;-4;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM449283;MM449283;COC=CCOCC=NN;USLASVMFZJKXEJ-UHFFFAOYSA-N;144.17;0.11;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_P2";;;;;;;0.54;;-1.09;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM449284;MM449284;C=CCC#CC(=O)N1CC1;AUBAHZAASLKCMQ-UHFFFAOYSA-N;135.17;0.41;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_SP2";;;;;;;0.54;;-1.09;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM449285;MM449285;COC=CCOCC=NO;PVHVAFHGCJNIJL-UHFFFAOYSA-N;145.16;0.62;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_P2";;;;;;;0.54;;-1.09;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM449286;MM449286;O=CCC#CC(=O)N1CC1;OYNPKEDXMAYNGV-UHFFFAOYSA-N;137.14;-0.58;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_SP2";;;;;;;-0.24;;-3.24;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM449287;MM449287;N#CCC#CC(=O)N1CC1;QPLZYFDVZWGWES-UHFFFAOYSA-N;134.14;-0.25;;;;;DOPC;MDCG;27;0;"MARTINI bead: N0_SP2";;;;;;;0.06;;-2.21;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM449288;MM449288;CNN=CCOCC=CF;HGTLAFXQDNWBJY-UHFFFAOYSA-N;146.17;0.69;;;;;DOPC;MDCG;27;0;"MARTINI bead: P3_C4";;;;;;;0.23;;-1.03;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM449289;MM449289;CC=CCOCC=NOC;WULHJAFKJHPNQC-UHFFFAOYSA-N;143.19;1.21;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_Na";;;;;;;0.87;;-2.22;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM449290;MM449290;C#CCC#CC(=C)C1CC1;FWFSCAOWGKTPPN-UHFFFAOYSA-N;130.19;1.98;;;;;DOPC;MDCG;27;0;"MARTINI bead: C3_SC5";;;;;;;3.34;;0.48;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM449291;MM449291;CNN=CCOCC=NN;PKADTZIKWLWCHR-UHFFFAOYSA-N;144.18;-0.85;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nd_P2";;;;;;;-0.24;;-3.16;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM449292;MM449292;C#CCC#CC(=O)C1CC1;OESGAVPESMMFBT-UHFFFAOYSA-N;132.16;0.99;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_SC5";;;;;;;2.41;;0.64;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM449293;MM449293;C#CCC#CC(=C)C1CN1;ONJZZHVLWIVYLO-UHFFFAOYSA-N;131.18;0.54;;;;;DOPC;MDCG;27;0;"MARTINI bead: C3_SP2";;;;;;;1.46;;-0.13;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM449294;MM449294;CNN=CCOCC=NO;DCCFBJJFCUHJET-UHFFFAOYSA-N;145.16;-0.33;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_P1";;;;;;;-0.79;;-3.13;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM449295;MM449295;C#CC(C=O)C(N)=NOC;UBENSDATVHDXKB-UHFFFAOYSA-N;140.14;-0.65;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_Na";;;;;;;-0.24;;-3.24;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM449296;MM449296;C=C(C)NC=NN=CC;NSUWAKAECIJVFI-UHFFFAOYSA-N;125.18;1.14;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_Nd";;;;;;;1.64;;0.02;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM449297;MM449297;C#CCC#CC(=C)C1CO1;ASRFAAWDRSRIFW-UHFFFAOYSA-N;132.16;0.97;;;;;DOPC;MDCG;27;0;"MARTINI bead: C3_SP1";;;;;;;1.74;;0.29;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM449298;MM449298;NCC=CCON=CNO;WMJIMNRRKYNETD-UHFFFAOYSA-N;145.16;-0.56;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_P4";;;;;;;-1.19;;-7.04;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM449299;MM449299;C#CCC#CC(=O)C1CO1;XCWWQLOXESRFST-UHFFFAOYSA-N;134.13;-0.02;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_SP1";;;;;;;0.81;;-0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM449300;MM449300;ON=CNOCC=CCF;YRBJVFLXTHBCGI-UHFFFAOYSA-N;148.14;0.45;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_Nda";;;;;;;0.04;;-2.73;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM449301;MM449301;C#CCC#CC(=N)N1CC1;KFCMHLFCGUNIDO-UHFFFAOYSA-N;132.17;0.31;;;;;DOPC;MDCG;27;1;"MARTINI bead: N0_SP2";;;;;;;0.06;;-4.03;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM449302;MM449302;C=NN1C=NC(=O)CC1;UDIJNMKSZPMSGS-UHFFFAOYSA-N;125.13;-0.14;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP1_SP2";;;;;;;-1.06;;-3.82;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM449303;MM449303;C#CCC#CC(=O)N1CC1;UEKXOFIFWODWQT-UHFFFAOYSA-N;133.15;-0.14;;;;;DOPC;MDCG;27;0;"MARTINI bead: N0_SP2";;;;;;;0.06;;-2.21;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM449304;MM449304;N#CC(F)(C=CF)C(=N)N;QOQGZOVJOIPJFT-UHFFFAOYSA-N;145.11;0.64;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_C5";;;;;;;0.54;;-1.09;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM449305;MM449305;CC=CC#CC(C)C1CC1;NUSSBNGSYXJCQS-UHFFFAOYSA-N;134.22;2.61;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1_SC5";;;;;;;3.68;;0.46;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM449306;MM449306;CC(F)C(F)(C#N)C(=N)N;WBMXXGGYSVAHCX-UHFFFAOYSA-N;147.13;0.51;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_P2";;;;;;;0.54;;-1.09;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM449307;MM449307;CC=CC#CC(N)C1CC1;ZUIGLQHZXXIOTE-UHFFFAOYSA-N;135.21;1.3;;;;;DOPC;MDCG;27;1;"MARTINI bead: C5_SC5";;;;;;;2.41;;0.43;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM449308;MM449308;C=CC=CCCCC=CC;DVAIDTROYYEEGD-UHFFFAOYSA-N;136.24;3.48;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1_C4";;;;;;;4.24;;0.42;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM449309;MM449309;CC=CC#CC(O)C1CC1;KJFNZSJASZJNNJ-UHFFFAOYSA-N;136.19;1.34;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda_SC5";;;;;;;1.64;;0.05;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM449310;MM449310;CC=CCCCC=CC#N;MJYIYIQHVMKTJI-UHFFFAOYSA-N;135.21;2.81;;;;;DOPC;MDCG;27;0;"MARTINI bead: C2_C5";;;;;;;3.6;;0.34;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM449311;MM449311;CC=CC#CC(F)C1CC1;FRJWDOVSJNXIKQ-UHFFFAOYSA-N;138.19;2.31;;;;;DOPC;MDCG;27;0;"MARTINI bead: C2_SC5";;;;;;;3.6;;0.34;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM449312;MM449312;O=CC=CCCCC=CF;LEQMETNSAYEERR-UHFFFAOYSA-N;142.17;2.4;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4_C5";;;;;;;2.97;;0.45;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM449313;MM449313;N=c1c(NN)non1C=O;OVFUZIXTWDRTQS-UHFFFAOYSA-N;143.11;-1.72;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP1_SP3";;;;;;;-1.93;;-4.72;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM449314;MM449314;C=NN=CCCCC=CC;RKCGRDPUAHZQPL-UHFFFAOYSA-N;138.21;2.42;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1_C5";;;;;;;3.68;;0.46;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM449315;MM449315;C#CC1=NNC(C#C)C1C;NAPJKEXOEUZPGY-UHFFFAOYSA-N;132.17;0.22;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP1_SP1";;;;;;;-0.79;;-3.13;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM449316;MM449316;C=NN=CCCCC=CF;YTRQFIWELVOSKO-UHFFFAOYSA-N;142.18;2.33;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4_C4";;;;;;;3.53;;0.53;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM449317;MM449317;CC=CC#CC(C)C1CO1;QQNMNJBYJRXXCW-UHFFFAOYSA-N;136.19;1.6;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1_SP1";;;;;;;2.08;;0.48;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM449318;MM449318;C=NN=CCCCC=NN;JWGOQMXARCTDCA-UHFFFAOYSA-N;140.19;0.79;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_N0";;;;;;;1.94;;0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM449319;MM449319;CC=CC#CC(O)C1CO1;QUEBYHGQQHCBOL-UHFFFAOYSA-N;138.17;0.33;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda_SP1";;;;;;;0.04;;-2.73;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM449320;MM449320;CN=CNCCC=CC=O;VXSOQJLXEJXMJF-UHFFFAOYSA-N;140.19;0.38;;;;;DOPC;MDCG;27;1;"MARTINI bead: P2_C5";;;;;;;0.54;;-4.81;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM449321;MM449321;CC=CC#CC(F)C1CO1;HHQZCJMXKNUYIQ-UHFFFAOYSA-N;140.16;1.3;;;;;DOPC;MDCG;27;0;"MARTINI bead: C2_SP1";;;;;;;2;;0.29;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM449322;MM449322;C=CC=CCCNC=NN;AKSZUEYYWOSRGB-UHFFFAOYSA-N;139.2;0.61;;;;;DOPC;MDCG;27;1;"MARTINI bead: P3_C1";;;;;;;0.94;;-1.25;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM449323;MM449323;CC(C#CC=NN)C1CO1;NULRPFHFSMKIKY-UHFFFAOYSA-N;138.17;-0.03;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_SP1";;;;;;;0.81;;-0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM449324;MM449324;CC(=O)C(=N)N1CC1(C)C;FGOZHTCEXOUYOO-UHFFFAOYSA-N;140.19;0.65;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_SP1";;;;;;;-1.06;;-3.82;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM449325;MM449325;C=NN1CC1C(=O)C=CC;XYMUKCWBXQJPGL-UHFFFAOYSA-N;138.17;0.43;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_SP2";;;;;;;-0.24;;-3.24;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM449326;MM449326;C=NN=CCCNC=NC;ZJNXROXQQRVOOB-UHFFFAOYSA-N;140.19;0.31;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1_C5";;;;;;;0.81;;-4.2;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM449327;MM449327;C=CC=CCCNN=CC;IUZDTTYBJJONTO-UHFFFAOYSA-N;138.21;1.71;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nd_C1";;;;;;;2.91;;0.63;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM449328;MM449328;CC=CC#CC(C)N1CC1;IUBFGFCFYAAAPM-UHFFFAOYSA-N;135.21;1.27;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1_SP2";;;;;;;1.8;;0.41;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM449329;MM449329;CC(C#CC=NN)N1CC1;HEROJAKEWMIKKF-UHFFFAOYSA-N;137.19;-0.36;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_SP2";;;;;;;0.54;;-1.09;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM449330;MM449330;C=NN=CCCNN=CC;SVBUNHQMOYMYRC-UHFFFAOYSA-N;140.19;0.66;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nd_C5";;;;;;;1.64;;0.02;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM449331;MM449331;C=C(C#CC=CC)C1CC1;CAPMIMDYZKICRU-UHFFFAOYSA-N;132.21;2.53;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1_SC5";;;;;;;3.68;;0.46;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM449332;MM449332;C=CC=CCCOC=CC;XTNUBLJPFBWUPC-UHFFFAOYSA-N;138.21;2.67;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_C1";;;;;;;3.68;;0.46;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM449333;MM449333;C#CC(C#N)(C=O)NC=N;PKQUWJLFOZMGNV-UHFFFAOYSA-N;135.13;-0.72;;;;;DOPC;MDCG;27;0;"MARTINI bead: P3_Na";;;;;;;-1.1;;-4.2;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM449334;MM449334;CC=CC#CC(=O)C1CC1;UEUJWVXHYSYLKX-UHFFFAOYSA-N;134.18;1.55;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4_SC5";;;;;;;2.97;;0.45;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM449335;MM449335;C=C(C#CC=NN)C1CC1;ROXNYICUXWYOAF-UHFFFAOYSA-N;134.18;0.9;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_SC4";;;;;;;1.37;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM449336;MM449336;C=CC=CCCON=CC;REOWTGHOAVQWRA-UHFFFAOYSA-N;139.2;2.14;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_C1";;;;;;;2.91;;0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM449337;MM449337;C=C(C#CC=CC)C1CN1;OIEZYSLPGBIJNR-UHFFFAOYSA-N;133.19;1.09;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1_SP2";;;;;;;1.8;;0.44;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM449338;MM449338;C=NN=CCCON=CC;WUPAPMCTFYXEPP-UHFFFAOYSA-N;141.17;1.09;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_C5";;;;;;;1.64;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM449339;MM449339;C#CC#CC1C(C)N1N=C;HZYOMSLWTMYYEC-UHFFFAOYSA-N;132.17;0.31;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4_SP1";;;;;;;1.37;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM449340;MM449340;CC=CCCNC=CC#N;BWGRZPNYYJTSOA-UHFFFAOYSA-N;136.2;1.58;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1_P1";;;;;;;2.08;;0.48;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM449341;MM449341;C=C(C#CC=NN)C1CN1;LNFQJFHEOWNTFV-UHFFFAOYSA-N;135.17;-0.54;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_SP1";;;;;;;-0.79;;-3.13;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM449342;MM449342;O=CC=CNCCC=CF;LYRDNIOWTBELPA-UHFFFAOYSA-N;143.16;1.16;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda_Na";;;;;;;0.87;;-1.99;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM449343;MM449343;C=C(C#CC=CC)C1CO1;JQYFPFVYDLRZQN-UHFFFAOYSA-N;134.18;1.52;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1_SP1";;;;;;;2.08;;0.48;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM449344;MM449344;CC=CCCN=CNC=N;MTUOMALYXOPREK-UHFFFAOYSA-N;139.2;1.18;;;;;DOPC;MDCG;27;1;"MARTINI bead: C1_P4";;;;;;;0.85;;-2.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM449345;MM449345;CC=CC#CC(=O)C1CO1;JUFSAWPLHCNBSM-UHFFFAOYSA-N;136.15;0.53;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4_SP1";;;;;;;1.37;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM449346;MM449346;N=CNC=NCCC=CF;FIFVORRZLHVBIG-UHFFFAOYSA-N;143.17;1.08;;;;;DOPC;MDCG;27;1;"MARTINI bead: C4_P3";;;;;;;0.23;;-3.02;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM449347;MM449347;C=C(C#CC=NN)C1CO1;LMIXXUMFAYMTBD-UHFFFAOYSA-N;136.15;-0.11;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nd_SP1";;;;;;;0.04;;-2.63;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM449348;MM449348;CCC(C#N)NC(=N)C#N;PPVWCRVRRGYESN-UHFFFAOYSA-N;136.16;0.38;;;;;DOPC;MDCG;27;0;"MARTINI bead: N0_P2";;;;;;;0.06;;-2.21;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM449349;MM449349;CC=CC#CC(=N)N1CC1;ZVHUZZYWYILLFE-UHFFFAOYSA-N;134.18;0.86;;;;;DOPC;MDCG;27;1;"MARTINI bead: C4_SP2";;;;;;;1.09;;-1.85;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM449350;MM449350;CC=NNC(=N)C=CC#N;MPPAIOHNARAFHO-UHFFFAOYSA-N;136.16;0.64;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nd_Nd";;;;;;;0.87;;-2.11;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM449351;MM449351;CC=CC#CC(=O)N1CC1;CJDIPXJAMRLHSE-UHFFFAOYSA-N;135.17;0.41;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4_SP2";;;;;;;1.09;;-0.38;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM449352;MM449352;C=NN(C)C(C=CN)=NC;VOZJQHAXJRIWQX-UHFFFAOYSA-N;140.19;0.03;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nd_P2";;;;;;;-0.24;;-3.16;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM449353;MM449353;N=C(C#CC=NN)N1CC1;VYLWGPHLWVGXSI-UHFFFAOYSA-N;136.16;-0.77;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1_SP2";;;;;;;-1.06;;-4.85;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM449354;MM449354;C=CC=NNCCC=NN;ZFLSINNKUOFOCC-UHFFFAOYSA-N;140.19;0.08;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nd_Nd";;;;;;;0.87;;-2.11;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM449355;MM449355;NN=CC#CC(=O)N1CC1;GFEDPEPCBJMVCP-UHFFFAOYSA-N;137.14;-1.22;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_SP2";;;;;;;-1.06;;-3.82;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM449356;MM449356;CON=C(NOC=O)OC;ZNAFMLAASPCRQV-UHFFFAOYSA-N;148.12;-0.77;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_P2";;;;;;;-0.24;;-3.24;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM449357;MM449357;CC#CC#CC(C)C1CC1;WNRRZNKTGNNAJI-UHFFFAOYSA-N;132.21;2.06;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1_SC5";;;;;;;3.68;;0.46;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM449358;MM449358;O=CC=NNCCC=NO;RRXQRBHETJFGBM-UHFFFAOYSA-N;143.15;-0.39;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda_P1";;;;;;;0.04;;-2.73;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM449359;MM449359;CC#CC#CC(N)C1CC1;WZIWTFYCCVUPOY-UHFFFAOYSA-N;133.19;0.75;;;;;DOPC;MDCG;27;1;"MARTINI bead: C5_SC5";;;;;;;2.41;;0.51;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM449360;MM449360;C=CC=COCCC=CC;YMZDCUCRKRRMRZ-UHFFFAOYSA-N;138.21;2.67;;;;;DOPC;MDCG;27;0;"MARTINI bead: C2_C4";;;;;;;4.16;;0.44;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM449361;MM449361;CC#CC#CC(O)C1CC1;DAIWCYXRBFZUNM-UHFFFAOYSA-N;134.18;0.78;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_SC5";;;;;;;2.41;;0.64;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM449362;MM449362;C=CC=COCCC=NO;IGBICIZVFZGULP-UHFFFAOYSA-N;141.17;1.55;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_C4";;;;;;;1.37;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM449363;MM449363;CC#CC#CC(F)C1CC1;IVRPBFQBCHFCKX-UHFFFAOYSA-N;136.17;1.76;;;;;DOPC;MDCG;27;0;"MARTINI bead: C3_SC5";;;;;;;3.34;;0.48;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM449364;MM449364;O=CC=COCCC=NO;OLPZMJVKVXHURV-UHFFFAOYSA-N;143.14;0.57;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_Na";;;;;;;0.04;;-2.54;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM449365;MM449365;C=NNCC#CC#N;OSDSTFYIVBPZRL-UHFFFAOYSA-N;107.12;-0.28;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_N0";;;;;;;0.34;;-1.53;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM449366;MM449366;CC#CC#CC(C)C1CO1;MCKQIUGFDHIRJD-UHFFFAOYSA-N;134.18;1.05;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1_SP1";;;;;;;2.08;;0.48;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM449367;MM449367;C=NN=COCCC=CC;UXUZBRCLXUFHJK-UHFFFAOYSA-N;140.19;1.61;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_N0";;;;;;;1.94;;0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM449368;MM449368;C=CC=NOCCC=CC;BDQHSELOWAZZOL-UHFFFAOYSA-N;139.2;2.14;;;;;DOPC;MDCG;27;0;"MARTINI bead: C2_Na";;;;;;;2.83;;0.35;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM449369;MM449369;CC#CC#CC(O)C1CO1;NFHFTARKLXIFCU-UHFFFAOYSA-N;136.15;-0.23;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_SP1";;;;;;;0.81;;-0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM449370;MM449370;CC=CCCON=CC=O;WOWYFBYGKSAWLZ-UHFFFAOYSA-N;141.17;1.15;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1_P1";;;;;;;2.08;;0.48;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM449371;MM449371;CC#CC#CC(F)C1CO1;IDOHBWMWMGBJCZ-UHFFFAOYSA-N;138.14;0.75;;;;;DOPC;MDCG;27;0;"MARTINI bead: C3_SP1";;;;;;;1.74;;0.29;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM449372;MM449372;CC#CC#CC(C)N1CC1;BYWCSWDCOHFAFD-UHFFFAOYSA-N;133.19;0.72;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1_SP2";;;;;;;1.8;;0.4;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM449373;MM449373;C=CC=NOCCC=CF;CBCNJDWFIZCYOQ-UHFFFAOYSA-N;143.16;2.05;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4_Na";;;;;;;2.2;;0.34;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM449374;MM449374;C=C(C#CC#CC)C1CC1;OKDXKRIQFWZQHJ-UHFFFAOYSA-N;130.19;1.98;;;;;DOPC;MDCG;27;0;"MARTINI bead: C2_SC5";;;;;;;3.6;;0.34;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM449375;MM449375;O=CC=NOCCC=CF;GGVOKHWMJDSIQN-UHFFFAOYSA-N;145.13;1.06;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4_P1";;;;;;;1.37;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM449376;MM449376;CC#CC#CC(=O)C1CC1;VNUHGSBXDWNUCM-UHFFFAOYSA-N;132.16;0.99;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4_SC5";;;;;;;2.97;;0.45;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM449377;MM449377;C=CC=NOCCC=NN;QFLLQIQTNBNRFT-UHFFFAOYSA-N;141.17;0.51;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nd_Na";;;;;;;0.87;;-1.88;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM449378;MM449378;C=C(C#CC#CC)C1CN1;KMDVMCZPPNWBGK-UHFFFAOYSA-N;131.18;0.54;;;;;DOPC;MDCG;27;0;"MARTINI bead: C2_SP2";;;;;;;1.72;;0.3;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM449379;MM449379;CC=COCOC=CC=O;CCKCYRYRHYYUDA-UHFFFAOYSA-N;142.15;1.22;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_Na";;;;;;;0.87;;-2.22;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM449380;MM449380;C=NNC1C(C)C1(F)F;CEJZXMUXBPHVRP-UHFFFAOYSA-N;134.13;0.85;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_SC5";;;;;;;0.54;;-1.09;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM449381;MM449381;CC=COCOC=CC#N;YXZUNDTWMXZZAN-UHFFFAOYSA-N;139.15;1.55;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_Na";;;;;;;0.87;;-2.22;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM449382;MM449382;C=C(C#CC#CC)C1CO1;CAPQYWKDPSZOOX-UHFFFAOYSA-N;132.16;0.97;;;;;DOPC;MDCG;27;0;"MARTINI bead: C2_SP1";;;;;;;2;;0.29;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM449383;MM449383;N#CC=COCOC=CF;HPXCHTRQZTWMKA-UHFFFAOYSA-N;143.12;1.46;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_Na";;;;;;;0.87;;-2.22;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM449384;MM449384;CC#CC#CC(=O)C1CO1;IECRCFSUKGGEET-UHFFFAOYSA-N;134.13;-0.02;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4_SP1";;;;;;;1.37;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM449385;MM449385;O=CC=COCOC=NO;ROUIKCJZDQULHW-UHFFFAOYSA-N;145.11;0.11;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_Na";;;;;;;-0.24;;-3.24;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM449386;MM449386;CC#CC#CC(=O)N1CC1;BZROBDXQAXFMEO-UHFFFAOYSA-N;133.15;-0.14;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4_SP2";;;;;;;1.09;;-0.38;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM449387;MM449387;C=NN=COCOC=CC;SMWQYVOVRASAGD-UHFFFAOYSA-N;142.16;1.15;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_N0";;;;;;;1.17;;-1.18;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM449388;MM449388;CCOCC=C(C)C1CC1;IDXLGJSEIZDIJP-UHFFFAOYSA-N;140.23;2.38;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_SC3";;;;;;;3.34;;0.48;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM449389;MM449389;C=NN=COCOC=CF;IHLZAOGSVXQDFA-UHFFFAOYSA-N;146.12;1.06;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_Na";;;;;;;0.87;;-2.22;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM449390;MM449390;CCCNN=C(C)N1CC1;HJRXDJZCCDSILV-UHFFFAOYSA-N;141.22;0.64;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_SNd";;;;;;;0.87;;-3.35;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM449391;MM449391;C=CC=COCON=CC;BYWGMYSVGMVWSR-UHFFFAOYSA-N;141.17;1.68;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_C4";;;;;;;1.37;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM449392;MM449392;C=CCNN=C(C)N1CC1;LQHIRKBYVWRWRJ-UHFFFAOYSA-N;139.2;0.41;;;;;DOPC;MDCG;27;1;"MARTINI bead: P2_SNd";;;;;;;-0.24;;-4.36;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM449393;MM449393;CC=NOCOC=CC=O;MZRYFYZHXHBMDK-UHFFFAOYSA-N;143.14;0.7;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_Na";;;;;;;0.87;;-2.22;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM449394;MM449394;NN=CC(F)C#CCF;XLWZKGRCYUZHPH-UHFFFAOYSA-N;132.11;0.24;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda_C5";;;;;;;1.64;;0.05;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM449395;MM449395;C=CC=NOCOC=CC;XNYPVRNEXIWVFN-UHFFFAOYSA-N;141.17;1.68;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_Na";;;;;;;1.64;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM449396;MM449396;C#CCCC=C(C)C1CC1;AIXSFLCQIANFBS-UHFFFAOYSA-N;134.22;2.76;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1_SC5";;;;;;;3.68;;0.46;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM449397;MM449397;CC=COCON=CC=O;YFSVBIOQALFRTQ-UHFFFAOYSA-N;143.14;0.7;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_P1";;;;;;;0.81;;-0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM449398;MM449398;C#CCNN=C(C)C1CC1;WHXHFXKFTUEUGN-UHFFFAOYSA-N;136.2;1;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nd_SC5";;;;;;;1.64;;0.02;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM449399;MM449399;CC=COCON=CC#N;OTRNYILVQFGAHS-UHFFFAOYSA-N;140.14;1.02;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_Na";;;;;;;0.87;;-2.22;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM449400;MM449400;C=CC=NOCOC=CF;AQWZKGZFVIZERX-UHFFFAOYSA-N;145.13;1.59;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_P1";;;;;;;0.81;;-0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM449401;MM449401;C=CC(=O)C(C)NN=C;VFTFEJHBZYCELA-UHFFFAOYSA-N;126.16;0.34;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nd_Na";;;;;;;0.87;;-1.88;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM449402;MM449402;N#CC=NOCOC=CF;BBJVUALZEPZTFI-UHFFFAOYSA-N;144.11;0.93;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_P2";;;;;;;0.54;;-1.09;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM449403;MM449403;C#CCNN=C(C)N1CC1;SRKIDRYMCVTRPB-UHFFFAOYSA-N;137.19;-0.14;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_SP2";;;;;;;-0.24;;-4.29;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM449404;MM449404;N#CC=NOCOC=NO;YAFRUNVMIGWXID-UHFFFAOYSA-N;143.1;-0.1;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_P2";;;;;;;-1.06;;-3.82;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM449405;MM449405;CC=CCC=C(C)C1CC1;QGTNRQRMZKNHRE-UHFFFAOYSA-N;136.24;3.31;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1_SC5";;;;;;;3.68;;0.46;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM449406;MM449406;C=NN=CCNNC=NC;DZLARYYIRYEREK-UHFFFAOYSA-N;141.18;-0.57;;;;;DOPC;MDCG;27;1;"MARTINI bead: P3_C5";;;;;;;-0.33;;-4.26;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM449407;MM449407;CC(=CN=CNN)C1CC1;RKNLSOMILBUXPS-UHFFFAOYSA-N;139.2;0.79;;;;;DOPC;MDCG;27;1;"MARTINI bead: P3_SC3";;;;;;;0.6;;-2.62;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM449408;MM449408;N=CNC=NNCC=NO;MHEGWDWZXGAQEO-UHFFFAOYSA-N;143.15;-0.82;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1_P4";;;;;;;-2.01;;-6.43;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM449409;MM449409;CC#CCC=C(C)C1CC1;CSXMMSHWFYOIRS-UHFFFAOYSA-N;134.22;2.76;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1_SC5";;;;;;;3.68;;0.46;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM449410;MM449410;C#CC=CCCCC=CF;ZGEAHSNBTGFCCP-UHFFFAOYSA-N;138.19;2.83;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4_C2";;;;;;;4.16;;0.44;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM449411;MM449411;CCC=CC=C(C)C1CC1;LCUCXTSTKYUOJR-UHFFFAOYSA-N;136.24;3.31;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1_SC5";;;;;;;3.68;;0.46;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM449412;MM449412;C#CC=CCCCC=NN;GEVCKSBGBFMPNV-UHFFFAOYSA-N;136.2;1.29;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nd_C2";;;;;;;2.83;;0.62;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM449413;MM449413;CCC=NN=C(C)N1CC1;GHNROODOPZJKCJ-UHFFFAOYSA-N;139.2;1.12;;;;;DOPC;MDCG;27;0;"MARTINI bead: N0_SNd";;;;;;;1.17;;-1.04;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM449414;MM449414;C#CC=CCCCC=NO;UYRKPUXXEBYTBE-UHFFFAOYSA-N;137.18;1.81;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_C2";;;;;;;2;;0.3;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM449415;MM449415;C#CC(CC#N)NN=C;YQKPJUNBMOTHTG-UHFFFAOYSA-N;121.14;0.11;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_N0";;;;;;;0.34;;-1.53;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM449416;MM449416;C#CC=CCCNC=NC;QYRGCCIGZIWDKK-UHFFFAOYSA-N;136.2;0.81;;;;;DOPC;MDCG;27;1;"MARTINI bead: P2_C2";;;;;;;1.72;;-2.98;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM449417;MM449417;COC=NN=C(C)N1CC1;YJUWAPDGLJOVRQ-UHFFFAOYSA-N;141.17;0.31;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_SNd";;;;;;;0.04;;-2.63;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM449418;MM449418;C#CC=CCCNN=CC;WGBCYTBNNOCNHM-UHFFFAOYSA-N;136.2;1.16;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nd_C4";;;;;;;2.2;;0.32;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM449419;MM449419;C=CC=CC=C(C)C1CC1;CHSYXOLYYFFEQG-UHFFFAOYSA-N;134.22;3.08;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1_SC5";;;;;;;3.68;;0.46;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM449420;MM449420;C#CC=CCCOC=CF;QZAALTWYYOGQPI-UHFFFAOYSA-N;140.16;2.02;;;;;DOPC;MDCG;27;0;"MARTINI bead: N0_C4";;;;;;;2.5;;0.44;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM449421;MM449421;CC(=CC=CC#N)C1CC1;SRZVIVCTGAZYFS-UHFFFAOYSA-N;133.19;2.42;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4_SC5";;;;;;;2.97;;0.45;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM449422;MM449422;CC(=O)C(=N)N1C(C)C1C;KABJXPXLQNRUBL-UHFFFAOYSA-N;140.19;0.65;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP1_Na";;;;;;;0.04;;-2.54;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM449423;MM449423;C=CC=CC=C(F)C1CC1;GIMDVKVESIGDBQ-UHFFFAOYSA-N;138.19;2.99;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1_SC5";;;;;;;3.68;;0.46;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM449424;MM449424;C#CC=CCCOC=NO;LUHJQNXRFCUJNC-UHFFFAOYSA-N;139.15;1;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_C4";;;;;;;1.09;;-0.38;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM449425;MM449425;N#CC=CC=C(F)C1CC1;LHVJDJOEYJFKPD-UHFFFAOYSA-N;137.16;2.33;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_SC5";;;;;;;2.41;;0.64;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM449426;MM449426;C#CC=CCCON=CC;UXMOBJOQVDPBQS-UHFFFAOYSA-N;137.18;1.59;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_C4";;;;;;;2.2;;0.34;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM449427;MM449427;C=CC=NN=C(C)C1CC1;NPYKBLWNDAOFBH-UHFFFAOYSA-N;136.2;2.03;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4_SC5";;;;;;;2.97;;0.45;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM449428;MM449428;C#CC=NNCCC=NO;KHOFBYQVSRULHM-UHFFFAOYSA-N;139.16;0.05;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda_P1";;;;;;;0.04;;-2.73;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM449429;MM449429;C=NN=CC=C(N)N1CC1;YUUQVTFPJADXMR-UHFFFAOYSA-N;138.17;-0.21;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_SP2";;;;;;;0.54;;-1.09;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM449430;MM449430;C#CC=NOCCC=CC;KHNGMWZYLNRWIO-UHFFFAOYSA-N;137.18;1.59;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1_P1";;;;;;;2.08;;0.48;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM449431;MM449431;CC(=NC=CC#N)N1CC1;SXIXMKKBGMMAHJ-UHFFFAOYSA-N;135.17;0.76;;;;;DOPC;MDCG;27;1;"MARTINI bead: N0_SP2";;;;;;;0.06;;-4.39;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM449432;MM449432;C#CC=NOCCC=NN;SUGHXBARIAWCND-UHFFFAOYSA-N;139.16;-0.04;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_N0";;;;;;;0.34;;-1.53;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM449433;MM449433;C#CC=CC=C(F)C1CC1;PPHQMIYAHNTNKN-UHFFFAOYSA-N;136.17;2.44;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4_SC5";;;;;;;2.97;;0.45;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM449434;MM449434;C#CC=COCON=CC;UAERBIZKLGLYGW-UHFFFAOYSA-N;139.15;1.13;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_N0";;;;;;;1.17;;-1.18;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM449435;MM449435;C#CC=NN=C(C)C1CC1;VVRCCYBXSBYEEQ-UHFFFAOYSA-N;134.18;1.48;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4_SC5";;;;;;;2.97;;0.45;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM449436;MM449436;C#CC=NOCOC=CC;ILURTWXYADNUOF-UHFFFAOYSA-N;139.15;1.13;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_Na";;;;;;;0.87;;-2.22;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM449437;MM449437;C#CC=CC=C(F)C1CN1;MOVWGQHXYZXMHF-UHFFFAOYSA-N;137.16;1;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4_SP2";;;;;;;1.09;;-0.37;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM449438;MM449438;C#CC=NOCOC=CF;POUVLRKNQWTSEL-UHFFFAOYSA-N;143.12;1.04;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_Na";;;;;;;0.87;;-2.22;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM449439;MM449439;C#CC=CC=C(F)C1CO1;HYTQHXCTPHJMMY-UHFFFAOYSA-N;138.14;1.43;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4_SP1";;;;;;;1.37;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM449440;MM449440;CC=NNC=C(C#N)C#N;YYVFNYMWDFTUSZ-UHFFFAOYSA-N;134.14;0.51;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nd_N0";;;;;;;1.17;;-1.04;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM449441;MM449441;C#CC=NN=C(C)N1CC1;NKTJYCWDIOMUGS-UHFFFAOYSA-N;135.17;0.34;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4_SP2";;;;;;;1.09;;-0.38;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM449442;MM449442;C#CC=CCOCC=NN;KKLABTBLCVBFHA-UHFFFAOYSA-N;138.17;0.14;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_C4";;;;;;;1.09;;-0.38;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM449443;MM449443;CCC#CC=C(C)C1CC1;RNJPTULTLKVXQX-UHFFFAOYSA-N;134.22;2.76;;;;;DOPC;MDCG;27;0;"MARTINI bead: C3_SC3";;;;;;;4.27;;0.2;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM449444;MM449444;C#CC=CCONC=NC;PRJFPROAMKLVFL-UHFFFAOYSA-N;138.17;0.36;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1_N0";;;;;;;0.34;;-2.58;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM449445;MM449445;CC(=CC#CCN)C1CC1;OCNAJEBXSKQZFQ-UHFFFAOYSA-N;135.21;1.3;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_SC3";;;;;;;2.57;;-0.13;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM449446;MM449446;C=NN1C=C(C)C(=O)CC1;HOWBXDFSPJOJTD-UHFFFAOYSA-N;138.17;0.78;;;;;DOPC;MDCG;27;0;"MARTINI bead: SN0_SP1";;;;;;;0.34;;-1.53;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM449447;MM449447;C=CC#CC=C(C)C1CC1;VRCITEMJPXNQDK-UHFFFAOYSA-N;132.21;2.53;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4_SC3";;;;;;;3.9;;0.47;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM449448;MM449448;CC#CCCCC=CCC;ULMQNIILAIHIPH-UHFFFAOYSA-N;136.24;3.15;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1_C3";;;;;;;4.61;;0.31;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM449449;MM449449;CC(=CC#CC#N)C1CC1;CVTCMANOVIQVFJ-UHFFFAOYSA-N;131.18;1.87;;;;;DOPC;MDCG;27;0;"MARTINI bead: N0_SC3";;;;;;;2.87;;0.37;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM449450;MM449450;CC#CCCCC=NNC;LVFSOBUROBLCMW-UHFFFAOYSA-N;138.21;1.39;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_C1";;;;;;;1.8;;0.4;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM449451;MM449451;N#CC#CC=C(F)C1CN1;RSHLKXAVRQOAAY-UHFFFAOYSA-N;136.13;0.34;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_SP2";;;;;;;-0.24;;-3.24;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM449452;MM449452;CC#CCCNN=CCC;ZBZVSJVKOPCDEG-UHFFFAOYSA-N;138.21;1.39;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nd_C3";;;;;;;2.57;;0.53;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM449453;MM449453;C#CC#CC=C(C)C1CC1;UOWLVRSRQSLOGW-UHFFFAOYSA-N;130.19;1.98;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4_SC3";;;;;;;3.9;;0.47;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM449454;MM449454;C=CCC1=NNC(C#N)C1;FUJMBBOLENFPLV-UHFFFAOYSA-N;135.17;0.8;;;;;DOPC;MDCG;27;0;"MARTINI bead: SN0_SP1";;;;;;;0.34;;-1.53;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM449455;MM449455;C#CC#CC=C(F)C1CC1;OWSBWNCETYQBQV-UHFFFAOYSA-N;134.15;1.89;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4_SC5";;;;;;;2.97;;0.45;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM449456;MM449456;C=C(C)C(=O)CCN1CC1;RDKQDAQKJYPELB-UHFFFAOYSA-N;139.2;0.84;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_SP1";;;;;;;0.04;;-2.54;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM449457;MM449457;C#CC#CC=C(F)C1CN1;LNNDOCFMVVOLTF-UHFFFAOYSA-N;135.14;0.45;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4_SP2";;;;;;;1.09;;-0.37;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM449458;MM449458;CC#CCCOC=CCN;PJAVUPFWKZXVIW-UHFFFAOYSA-N;139.2;0.89;;;;;DOPC;MDCG;27;1;"MARTINI bead: C3_P2";;;;;;;1.46;;-2.2;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM449459;MM449459;COC(=O)C(=NO)C(F)F;JJJFSCTUYACCHX-UHFFFAOYSA-N;153.08;0.25;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_N0";;;;;;;0.34;;-7.41;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM449460;MM449460;CCn1c(=N)cn[nH]c1=O;XDYZVIGBFCXQFL-UHFFFAOYSA-N;140.15;-0.93;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP2_SP3";;;;;;;-2.2;;-5.19;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM449461;MM449461;CC#CCCOC=CCO;XQEPCEPJBJODEJ-UHFFFAOYSA-N;140.18;0.92;;;;;DOPC;MDCG;27;0;"MARTINI bead: C3_P2";;;;;;;1.46;;-0.15;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM449462;MM449462;CNc1onnc(=N)c1N;HTZOLUBBBPDTCQ-UHFFFAOYSA-N;141.13;-0.83;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP3_SP2";;;;;;;-2.2;;-5.19;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM449463;MM449463;CCn1c(=O)cn[nH]c1=O;KQTUTBMZVOWQPV-UHFFFAOYSA-N;141.13;-1.05;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP3_SP3";;;;;;;-3.07;;-6.15;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM449464;MM449464;CC#CCCON=CCC;SCTXJNHXTKTKEA-UHFFFAOYSA-N;139.2;1.81;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_C3";;;;;;;2.57;;0.45;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM449465;MM449465;CNn1c(=N)cn[nH]c1=O;SVXBXRCWKQDDLW-UHFFFAOYSA-N;141.13;-1.78;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP3_SP3";;;;;;;-3.07;;-6.15;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM449466;MM449466;CC#CCCON=CCN;NAHIFYAXCYCMND-UHFFFAOYSA-N;140.19;0.36;;;;;DOPC;MDCG;27;1;"MARTINI bead: C4_P2";;;;;;;1.09;;-1.75;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM449467;MM449467;ON=c1nconc1O;YFEPPFDJGCZCJQ-UHFFFAOYSA-N;129.08;-0.93;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP3_SP3";;;;;;;-3.07;;-10.29;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM449468;MM449468;C=CC=NNC=NCCC;NTDVZVOEIBFXLP-UHFFFAOYSA-N;139.2;1.19;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4_Nd";;;;;;;2.2;;0.32;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM449469;MM449469;Oc1[nH]nnc1F;XZNXAJLSTRARJN-UHFFFAOYSA-N;103.06;-0.35;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP2_SP1";;;;;;;-1.06;;-9.09;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM449470;MM449470;CC#CCCON=COC;OJGULHQBCSKCGB-UHFFFAOYSA-N;141.17;1.01;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_C4";;;;;;;2.2;;0.34;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM449471;MM449471;N#CC(N)=CC(=O)O;NAECHHXNKFYTDI-UHFFFAOYSA-N;112.09;-0.56;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_P1";;;;;;;-0.79;;-9.07;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM449472;MM449472;CC#CCNCC=CCF;BHJWDTRFJDNQMU-UHFFFAOYSA-N;141.19;1.13;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_C4";;;;;;;2.2;;-0.56;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM449473;MM449473;N=c1cn[nH]c(=O)n1C=O;BROVJYPXSDSIRH-UHFFFAOYSA-N;140.1;-1.91;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP3_SP3";;;;;;;-3.07;;-6.15;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM449474;MM449474;CC#CCNNC=NCC;JKAYDFHDQFJBDW-UHFFFAOYSA-N;139.2;0.15;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_Nd";;;;;;;0.87;;-4.09;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM449475;MM449475;O=Cn1c(=O)cn[nH]c1=O;REVJTVZQTKCLNO-UHFFFAOYSA-N;141.09;-2.03;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP3_SP3";;;;;;;-3.07;;-6.15;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM449476;MM449476;CC#CCNNC=NOC;BCCWSKOXHZDAAW-UHFFFAOYSA-N;141.17;-0.31;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_Nd";;;;;;;0.04;;-2.63;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM449477;MM449477;C=Cn1[nH]c(F)c(F)c1=O;SSNZPAIRDFTNLL-UHFFFAOYSA-N;146.1;0.56;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP2_SNa";;;;;;;-0.24;;-8.67;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM449478;MM449478;CC#CCOCC=CCN;HXHLHXWJPOGGLP-UHFFFAOYSA-N;139.2;0.54;;;;;DOPC;MDCG;27;1;"MARTINI bead: Na_Nd";;;;;;;0.87;;-4.13;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM449479;MM449479;C=Nn1c(=N)cn[nH]c1=O;QDWORIMUFRTWIU-UHFFFAOYSA-N;139.12;-1.49;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP3_SP3";;;;;;;-3.07;;-6.15;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM449480;MM449480;CC#CCOCC=NNC;ZWVMCRUOVMVVQN-UHFFFAOYSA-N;140.19;0.23;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_C5";;;;;;;0.54;;-1.09;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM449481;MM449481;CN=c1c(O)cccn1C;DUOUNXBTRTYTMQ-UHFFFAOYSA-N;138.17;0.26;;;;;DOPC;MDCG;27;1;"MARTINI bead: SN0_SNda";;;;;;;1.17;;-6.99;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM449482;MM449482;CC#CCOCC=NOC;RIQRLBBWRJTMEN-UHFFFAOYSA-N;141.17;0.66;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_Na";;;;;;;0.87;;-2.22;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM449483;MM449483;ON=c1c(O)cccn1O;MJTLMBNSZDIAMZ-UHFFFAOYSA-N;142.11;-0.28;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP1_SNda";;;;;;;0.04;;-2.73;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM449484;MM449484;C=NN=CCCCC#CC;OHFGRTHTHTXPKW-UHFFFAOYSA-N;136.2;1.87;;;;;DOPC;MDCG;27;0;"MARTINI bead: C3_C5";;;;;;;3.34;;0.48;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM449485;MM449485;N#CC#CC1NC1C(=O)O;KRSWQQBHLJDFTA-UHFFFAOYSA-N;136.11;-1.06;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_SP2";;;;;;;-1.06;;-9.09;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM449486;MM449486;CC#CCCN=CNC=N;CAMIPHOHDATEBW-UHFFFAOYSA-N;137.19;0.62;;;;;DOPC;MDCG;27;1;"MARTINI bead: C3_P4";;;;;;;0.52;;-3.49;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM449487;MM449487;O=c1o[nH]nc1C(F)F;JSFPEGLWAKKQKV-UHFFFAOYSA-N;136.06;0.3;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNa_SP2";;;;;;;-0.24;;-8.67;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM449488;MM449488;C=CC=NNCCC#CC;GIWBIVVKBBSGCH-UHFFFAOYSA-N;136.2;1.16;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4_Nd";;;;;;;2.2;;0.32;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM449489;MM449489;O=c1c(O)c(F)[nH]n1O;ZAICVKZAYNHKNE-UHFFFAOYSA-N;134.07;-0.74;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNda_SP2";;;;;;;-0.24;;-8.5;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM449490;MM449490;Nc1oc(=O)oc1N1CC1;KZFWCLYBKJLGBX-UHFFFAOYSA-N;142.11;-0.37;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP3_SP2";;;;;;;-2.2;;-5.19;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM449491;MM449491;Nn1[nH]cnc(=O)c1=NO;JIJVEHSYBMLBGF-UHFFFAOYSA-N;143.11;-2.42;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP2_SP3";;;;;;;-2.2;;-5.19;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM449492;MM449492;CC#CCCNN=CC#N;NJNHKXPUEXYSJI-UHFFFAOYSA-N;135.17;0.5;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4_Nd";;;;;;;2.2;;0.32;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM449493;MM449493;N=CN=c1nn[nH]o1;XQJODGNZZFLGTH-UHFFFAOYSA-N;113.08;-1.09;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP2_SP2";;;;;;;-1.34;;-9.64;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM449494;MM449494;C=CC=CCNCC#CC;KDNDWRLLLOXWBA-UHFFFAOYSA-N;135.21;1.34;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_C1";;;;;;;2.91;;0.51;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM449495;MM449495;O=c1onc(O)oc1=O;LAFQNUMSHSREEE-UHFFFAOYSA-N;131.04;-1.31;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP3_SP2";;;;;;;-2.2;;-9.64;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM449496;MM449496;CC#CCNN=CNC=O;WZRNTSBTXHZMMU-UHFFFAOYSA-N;139.16;-0.71;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4_P4";;;;;;;0.15;;-2.18;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM449497;MM449497;N#CCC(=O)C(C=O)C=O;LNJXWTFZTABHLJ-UHFFFAOYSA-N;139.11;-0.52;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_Na";;;;;;;0.87;;-8.61;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM449498;MM449498;CC#CCOCC=CC=O;HYJGFWLFWMWPHQ-UHFFFAOYSA-N;138.17;0.78;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_Na";;;;;;;0.87;;-2.22;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM449499;MM449499;N#CC(=O)ON=CC(=O)O;WZTXGGPTBCGWSY-UHFFFAOYSA-N;142.07;-0.88;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda_P2";;;;;;;-0.24;;-8.5;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM449500;MM449500;FCC=NNCCF;JYUZVNKMWFMQNA-UHFFFAOYSA-N;122.12;0.5;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_C5";;;;;;;0.54;;-1.09;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM449501;MM449501;COC(=O)NC(C=O)C=O;VCLBONUBAMYKOL-UHFFFAOYSA-N;145.11;-0.89;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_Na";;;;;;;-0.24;;-8.67;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM449502;MM449502;C#CC=CCCCC#CC;ODEYNQUZQMEOKP-UHFFFAOYSA-N;132.21;2.37;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4_C2";;;;;;;4.16;;0.44;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM449503;MM449503;O=CC(C=O)C(=O)CF;HOLVZLCMEFHTMN-UHFFFAOYSA-N;132.09;-0.46;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_Na";;;;;;;0.87;;-8.62;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM449504;MM449504;C#CC=NNCCC#CC;MOELJGZZWFFNNJ-UHFFFAOYSA-N;134.18;0.61;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4_P1";;;;;;;1.37;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM449505;MM449505;Nn1[nH]nnc(=O)c1=O;ISWLKVXHTCEYNN-UHFFFAOYSA-N;129.08;-2.96;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP2_SP3";;;;;;;-2.2;;-9.64;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM449506;MM449506;C#CC=COCCC#CC;WDPJPOSDKMCCPA-UHFFFAOYSA-N;134.18;1.56;;;;;DOPC;MDCG;27;0;"MARTINI bead: C3_Na";;;;;;;2.57;;0.45;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM449507;MM449507;O=c1o[nH]nc1C(F)(F)F;BFUOEXKUTAEBPM-UHFFFAOYSA-N;154.05;0.38;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNa_SP2";;;;;;;-0.24;;-8.67;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM449508;MM449508;C#CC=NOCCC#CC;HNNYAHPXICFFHS-UHFFFAOYSA-N;135.17;1.04;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4_Na";;;;;;;2.2;;0.34;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM449509;MM449509;N=c1nn[nH]nc1C(F)F;SYATWDDGXCERQZ-UHFFFAOYSA-N;147.09;-0.38;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP1_SP2";;;;;;;-1.06;;-9.09;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM449510;MM449510;C#CC=CCNCC#CC;AGXULRRKXODLBD-UHFFFAOYSA-N;133.19;0.79;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_C4";;;;;;;2.2;;-0.5;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM449511;MM449511;O=c1nn[nH]o1;QPFVYTIMLAFERT-UHFFFAOYSA-N;87.04;-1.24;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP2_SP2";;;;;;;-1.34;;-9.64;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM449512;MM449512;Nc1c(F)[nH]n(N)c1=O;IGXZKVBXRHCEMR-UHFFFAOYSA-N;132.1;-1.39;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNda_SP3";;;;;;;-1.1;;-8.5;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM449513;MM449513;C#CC=CCOCC#CC;FJTZDRZMWRLRBV-UHFFFAOYSA-N;134.18;1.22;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_C4";;;;;;;2.2;;0.34;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM449514;MM449514;CCC#CCCCCCC;JUWXVJKQNKKRLD-UHFFFAOYSA-N;138.25;3.37;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1_C3";;;;;;;4.61;;0.31;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM449515;MM449515;Cc1c(F)[nH]n(N)c1=O;NEMGDSVMJNYBEJ-UHFFFAOYSA-N;131.11;-0.66;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNa_SP3";;;;;;;-1.1;;-8.68;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM449516;MM449516;CCCCCCC#CCN;ICGFZTGLBVXLHK-UHFFFAOYSA-N;139.24;1.92;;;;;DOPC;MDCG;27;1;"MARTINI bead: C1_Nd";;;;;;;2.91;;0.38;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM449517;MM449517;C=Nn1nnc(C#N)c1O;QHUFJLAAWCPDLE-UHFFFAOYSA-N;137.1;-0.68;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP1_SP2";;;;;;;-1.06;;-9.09;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM449518;MM449518;CCCCCCC#CCF;PWELURMUGWOHBK-UHFFFAOYSA-N;142.22;2.93;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1_C5";;;;;;;3.68;;0.46;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM449519;MM449519;N#CC(CO)=C(N)C(=O)O;SMXBYMXPDVQPGS-UHFFFAOYSA-N;142.11;-1.2;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_P2";;;;;;;-1.06;;-9.09;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM449520;MM449520;NCC#CCCCCCN;HGAHTDDPTQOYJN-UHFFFAOYSA-N;140.23;0.47;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_Nd";;;;;;;0.87;;-4.94;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM449521;MM449521;CCn1c(N)cncc1=N;BBZJEZMRWJIOAC-UHFFFAOYSA-N;138.17;-0.04;;;;;DOPC;MDCG;27;1;"MARTINI bead: SP2_SP1";;;;;;;-1.06;;-7.42;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM449522;MM449522;CNCCCCC#CCN;CYKANUVTZGDOIF-UHFFFAOYSA-N;140.23;0.34;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_Nd";;;;;;;0.87;;-5.25;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM449523;MM449523;CCn1c(N)cncc1=O;AOMLCBZOIJGZDS-UHFFFAOYSA-N;139.16;-0.15;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP2_SP1";;;;;;;-1.06;;-3.82;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM449524;MM449524;CCC#CCCCNCC;RPNZUKJANOBCGU-UHFFFAOYSA-N;139.24;1.79;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_C3";;;;;;;2.57;;-1.88;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM449525;MM449525;CCNCCCC#CCN;SVYRYYGMTVEEEZ-UHFFFAOYSA-N;140.23;0.34;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_Nd";;;;;;;0.87;;-5.29;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM449526;MM449526;N#Cc1n[nH]nnc1=N;FLIGNRRUKJDDDS-UHFFFAOYSA-N;122.09;-1.45;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP2_SP3";;;;;;;-2.2;;-9.64;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM449527;MM449527;CCC#CCCCOCC;ZARIHTDVJNEZGG-UHFFFAOYSA-N;140.23;2.22;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_C3";;;;;;;3.34;;0.48;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM449528;MM449528;CCn1c(F)cncc1=O;ADVCDDFXAILRIU-UHFFFAOYSA-N;142.13;0.4;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP1_SP1";;;;;;;-0.79;;-3.13;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM449529;MM449529;CCOCCCC#CCN;ZIMXKVCDJARZTD-UHFFFAOYSA-N;141.21;0.77;;;;;DOPC;MDCG;27;1;"MARTINI bead: C5_Nd";;;;;;;1.64;;-1.41;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM449530;MM449530;CNn1c(N)cncc1=N;BFXFRXDQCYECPZ-UHFFFAOYSA-N;139.16;-0.88;;;;;DOPC;MDCG;27;1;"MARTINI bead: SP3_SP1";;;;;;;-1.93;;-6.35;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM449531;MM449531;CCC#CCCNCCC;MCXBJEOFQLYPBT-UHFFFAOYSA-N;139.24;1.79;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_C3";;;;;;;2.57;;-1.51;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM449532;MM449532;CNn1c(F)cncc1=N;OYFFUTOBNIMWNC-UHFFFAOYSA-N;142.14;-0.33;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP2_SP1";;;;;;;-1.06;;-3.82;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM449533;MM449533;CCCNCCC#CCN;CLCAVCQJNUNRJM-UHFFFAOYSA-N;140.23;0.34;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_Nd";;;;;;;0.87;;-4.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM449534;MM449534;CN=c1nc(O)c(F)no1;WGQNJEXQSSIYHR-UHFFFAOYSA-N;145.09;-0.56;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP3_SP1";;;;;;;-1.93;;-9.1;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM449535;MM449535;CCCNCCC#CCO;CVZNURRWZXICGE-UHFFFAOYSA-N;141.21;0.37;;;;;DOPC;MDCG;27;1;"MARTINI bead: C5_P2";;;;;;;0.54;;-3.81;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM449536;MM449536;CNn1c(F)cncc1=O;FFLHYNZWYFAUMQ-UHFFFAOYSA-N;143.12;-0.44;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP2_SP1";;;;;;;-1.06;;-3.82;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM449537;MM449537;CCCNCCC#CCF;MGPYBWLOHDLIPU-UHFFFAOYSA-N;143.21;1.35;;;;;DOPC;MDCG;27;1;"MARTINI bead: C5_Na";;;;;;;1.64;;-2.66;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM449538;MM449538;COn1c(N)cncc1=N;KKMFIHNURZVNJY-UHFFFAOYSA-N;140.15;-1;;;;;DOPC;MDCG;27;1;"MARTINI bead: SP3_SP1";;;;;;;-1.93;;-6;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM449539;MM449539;CCC#CCCNCCN;PGFOKTXHQHBLBB-UHFFFAOYSA-N;140.23;0.34;;;;;DOPC;MDCG;27;1;"MARTINI bead: C3_P3";;;;;;;0.6;;-3.12;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM449540;MM449540;COn1c(F)cncc1=N;BKMGBZIYMQDEBK-UHFFFAOYSA-N;143.12;-0.44;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP1_SP1";;;;;;;-0.79;;-3.13;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM449541;MM449541;NCC#CCCNCCF;VLELAAMUJLJAQS-UHFFFAOYSA-N;144.19;-0.1;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_P1";;;;;;;0.04;;-4.27;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM449542;MM449542;COn1c(C)cncc1=O;UAEPBIZBAMGTMK-UHFFFAOYSA-N;140.14;-0.39;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP2_SP1";;;;;;;-1.06;;-3.82;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM449543;MM449543;CCC#CCCOCCC;RCFCYDJMQSJKNC-UHFFFAOYSA-N;140.23;2.22;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_C3";;;;;;;2.57;;0.45;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM449544;MM449544;COn1c(N)cncc1=O;CKYSESDQICVBJA-UHFFFAOYSA-N;141.13;-1.12;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP3_SP1";;;;;;;-1.93;;-4.72;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM449545;MM449545;CCC#CCCOCCN;DIDHKZGHFJHOHO-UHFFFAOYSA-N;141.21;0.77;;;;;DOPC;MDCG;27;1;"MARTINI bead: C3_P2";;;;;;;1.46;;-2.07;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM449546;MM449546;N#CC(N)=C(N)C(=O)O;ANEHHZRMRZKYKZ-UHFFFAOYSA-N;127.1;-1.28;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_P1";;;;;;;-1.06;;-9.09;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM449547;MM449547;NCCOCCC#CCO;RODNUGDQELFVAB-UHFFFAOYSA-N;143.19;-0.65;;;;;DOPC;MDCG;27;1;"MARTINI bead: P2_Nda";;;;;;;-0.24;;-5.35;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM449548;MM449548;COn1c(F)cncc1=O;FIVLKKQMKADRHI-UHFFFAOYSA-N;144.11;-0.56;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP1_SP1";;;;;;;-0.79;;-3.13;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM449549;MM449549;NCCOCCC#CCF;CIOFBPDIEUYPFL-UHFFFAOYSA-N;145.18;0.32;;;;;DOPC;MDCG;27;1;"MARTINI bead: P2_C5";;;;;;;0.54;;-3.12;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM449550;MM449550;CCn1c(C)nncc1=N;FYLMAUXKUPUUFH-UHFFFAOYSA-N;138.17;0.09;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP2_SP1";;;;;;;-1.06;;-3.82;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM449551;MM449551;CCC#CCCOCCO;BFBXFPULWYNTJH-UHFFFAOYSA-N;142.2;0.8;;;;;DOPC;MDCG;27;0;"MARTINI bead: C3_P2";;;;;;;1.46;;-0.15;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM449552;MM449552;CCn1c(N)nncc1=N;GXJXCCPJPGQNMM-UHFFFAOYSA-N;139.16;-0.64;;;;;DOPC;MDCG;27;1;"MARTINI bead: SP2_SP2";;;;;;;-1.34;;-5.37;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM449553;MM449553;NCC#CCCOCCO;UDIZSDXBWCTMEP-UHFFFAOYSA-N;143.19;-0.65;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_P2";;;;;;;-0.24;;-4.65;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM449554;MM449554;CN=C(N)C(=O)C(=O)O;MKJHXUYCGYZMSD-UHFFFAOYSA-N;130.1;-1.37;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_P1";;;;;;;-1.06;;-9.09;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM449555;MM449555;OCC#CCCOCCO;BAIXZJDDYPZUED-UHFFFAOYSA-N;144.17;-0.62;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_Nda";;;;;;;-0.24;;-3.31;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM449556;MM449556;C#CC1NN=C(C)C1=C;RRCLXVRKAKNXLW-UHFFFAOYSA-N;120.16;0.52;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP1_SP1";;;;;;;-0.79;;-3.13;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM449557;MM449557;OCCOCCC#CCF;QYBBBZFXAVKKAQ-UHFFFAOYSA-N;146.16;0.36;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_C5";;;;;;;0.54;;-1.09;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM449558;MM449558;O=c1nn[nH]nc1C(F)F;YCMJOXOURSHLQI-UHFFFAOYSA-N;148.07;-0.5;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP1_SP2";;;;;;;-1.06;;-9.09;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM449559;MM449559;CCC#CCCOCCF;FKPAIEAUCWGANR-UHFFFAOYSA-N;144.19;1.78;;;;;DOPC;MDCG;27;0;"MARTINI bead: C3_Na";;;;;;;2.57;;0.45;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM449560;MM449560;CNn1c(C)nncc1=N;NMJZHOLTDAFAKW-UHFFFAOYSA-N;139.16;-0.76;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP3_SP1";;;;;;;-1.93;;-4.72;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM449561;MM449561;CCCCNCC#CCN;WUYZMYBLKUFPAZ-UHFFFAOYSA-N;140.23;0.34;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_Nd";;;;;;;0.87;;-4.15;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM449562;MM449562;CN=c1nc(O)c(C)no1;BDMGDAYFNRPWHI-UHFFFAOYSA-N;141.13;-0.39;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP2_SP2";;;;;;;-1.34;;-9.64;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM449563;MM449563;CCCCNCC#CCF;FSSDRCWTXJAFSB-UHFFFAOYSA-N;143.21;1.35;;;;;DOPC;MDCG;27;1;"MARTINI bead: C5_Na";;;;;;;1.64;;-1.8;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM449564;MM449564;COn1c(C)nncc1=N;DOAGNEJXWZCKOI-UHFFFAOYSA-N;140.15;-0.88;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP3_SP1";;;;;;;-1.93;;-4.72;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM449565;MM449565;CCC#CCNCCCN;DUNJHLGOSLFDDN-UHFFFAOYSA-N;140.23;0.34;;;;;DOPC;MDCG;27;1;"MARTINI bead: C3_P3";;;;;;;0.6;;-3.22;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM449566;MM449566;COn1c(C)nncc1=O;VBECLAVYDAAVOQ-UHFFFAOYSA-N;141.13;-0.99;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP3_SP1";;;;;;;-1.93;;-4.72;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM449567;MM449567;OCC#CCNCCCO;OHHPMWJAVNEGJA-UHFFFAOYSA-N;143.19;-1.05;;;;;DOPC;MDCG;27;1;"MARTINI bead: P2_Nda";;;;;;;-0.24;;-4.37;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM449568;MM449568;COn1c(N)nncc1=O;MATPSDAJARKQJH-UHFFFAOYSA-N;142.12;-1.72;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP3_SP2";;;;;;;-2.2;;-5.19;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM449569;MM449569;CNCCNCC#CCN;ODUVXRHNJQVBBO-UHFFFAOYSA-N;141.22;-1.24;;;;;DOPC;MDCG;27;1;"MARTINI bead: P3_Nd";;;;;;;-1.1;;-6.16;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM449570;MM449570;Cc1noc(=NN)nc1O;CSWOQBFXNOXGBX-UHFFFAOYSA-N;142.12;-1.14;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP2_SP2";;;;;;;-1.34;;-9.64;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM449571;MM449571;COCCNCC#CCN;JLFDEOIVWHBMSR-UHFFFAOYSA-N;142.2;-0.82;;;;;DOPC;MDCG;27;1;"MARTINI bead: Na_P2";;;;;;;-0.24;;-4.84;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM449572;MM449572;C=Cn1c(C)cncc1=N;YQJQCYDXNOPNAG-UHFFFAOYSA-N;135.17;0.77;;;;;DOPC;MDCG;27;1;"MARTINI bead: SP1_SP1";;;;;;;-0.79;;-4.92;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM449573;MM449573;COCCNCC#CCF;GYPQNJQRYWNOPD-UHFFFAOYSA-N;145.18;0.2;;;;;DOPC;MDCG;27;1;"MARTINI bead: P2_C5";;;;;;;0.54;;-2.11;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM449574;MM449574;Cc1cncc(=N)n1C=O;VSMGCZSJIFOQFA-UHFFFAOYSA-N;137.14;-0.29;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP1_SP2";;;;;;;-1.06;;-3.82;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM449575;MM449575;CCC#CCOCCCC;YMTMEHIRKXNBJI-UHFFFAOYSA-N;140.23;2.22;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_C3";;;;;;;2.57;;0.45;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM449576;MM449576;C=Cn1c(N)cncc1=N;WMBZAJPQRMFZQD-UHFFFAOYSA-N;136.16;0.05;;;;;DOPC;MDCG;27;1;"MARTINI bead: SP1_SP2";;;;;;;-1.06;;-7.05;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM449577;MM449577;CCCCOCC#CCN;JVAZTPVNKCMOGE-UHFFFAOYSA-N;141.21;0.77;;;;;DOPC;MDCG;27;1;"MARTINI bead: Na_Nd";;;;;;;0.87;;-3.3;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM449578;MM449578;N=Cn1c(N)cncc1=N;XPNIZBUVZHPHDY-UHFFFAOYSA-N;137.15;-0.6;;;;;DOPC;MDCG;27;1;"MARTINI bead: SP1_SP3";;;;;;;-1.93;;-5.87;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM449579;MM449579;CCCCOCC#CCF;MBHARBCPTWWQMC-UHFFFAOYSA-N;144.19;1.78;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4_Na";;;;;;;2.2;;0.34;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM449580;MM449580;N=c1cncc(N)n1C=O;CHYJOJXVZMBREN-UHFFFAOYSA-N;138.13;-1.02;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP1_SP3";;;;;;;-1.93;;-4.72;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM449581;MM449581;NCC#CCOCCCN;XPQXFCYARWZQQV-UHFFFAOYSA-N;142.2;-0.69;;;;;DOPC;MDCG;27;1;"MARTINI bead: P2_Nd";;;;;;;-0.24;;-5.89;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM449582;MM449582;O=Cc1noc(=NO)[nH]1;DQDHEAAKNPXDDJ-UHFFFAOYSA-N;129.08;-0.89;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP3_SP1";;;;;;;-1.93;;-9.1;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM449583;MM449583;NCCCOCC#CCO;QIPDSYZMVKTNIU-UHFFFAOYSA-N;143.19;-0.65;;;;;DOPC;MDCG;27;1;"MARTINI bead: P2_Nda";;;;;;;-0.24;;-6.02;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM449584;MM449584;C=Cn1c(F)cncc1=N;IEDAIDHEQUPUPT-UHFFFAOYSA-N;139.13;0.6;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP1_SP1";;;;;;;-0.79;;-3.13;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM449585;MM449585;NCCCOCC#CCF;OCBZSODDGBIZRG-UHFFFAOYSA-N;145.18;0.32;;;;;DOPC;MDCG;27;1;"MARTINI bead: P2_C5";;;;;;;0.54;;-3.8;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM449586;MM449586;N=Cn1c(F)cncc1=N;BDBXKMHTWIYTAW-UHFFFAOYSA-N;140.12;-0.04;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP1_SP2";;;;;;;-1.06;;-3.82;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM449587;MM449587;CCC#CCOCCCO;YKEVWUGUCJERHP-UHFFFAOYSA-N;142.2;0.8;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4_P1";;;;;;;1.37;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM449588;MM449588;N=c1cncc(F)n1C=O;DCZPLXCHSLSXFN-UHFFFAOYSA-N;141.11;-0.46;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP1_SP2";;;;;;;-1.06;;-3.82;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM449589;MM449589;CCC#CCOCCNC;WBQCQTGWEKSQEI-UHFFFAOYSA-N;141.21;0.64;;;;;DOPC;MDCG;27;1;"MARTINI bead: C3_P2";;;;;;;1.46;;-2.29;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM449590;MM449590;C=Cn1c(C)cncc1=O;ORNHZXSFEISKCA-UHFFFAOYSA-N;136.15;0.65;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP1_SP1";;;;;;;-0.79;;-3.13;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM449591;MM449591;CNCCOCC#CCN;QWMXQKCEARMEIR-UHFFFAOYSA-N;142.2;-0.82;;;;;DOPC;MDCG;27;1;"MARTINI bead: P2_Nd";;;;;;;-0.24;;-5.49;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM449592;MM449592;Cc1cncc(=O)n1C=N;CGKFUVVJOPQVAJ-UHFFFAOYSA-N;137.14;0.01;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP1_SP2";;;;;;;-1.06;;-3.82;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM449593;MM449593;CNCCOCC#CCO;GUZSFWQHVIXYIH-UHFFFAOYSA-N;143.19;-0.78;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_P2";;;;;;;-0.24;;-5.43;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM449594;MM449594;Cc1cncc(=O)n1C=O;VSFQHUHETICFLQ-UHFFFAOYSA-N;138.13;-0.41;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP1_SP2";;;;;;;-1.06;;-3.82;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM449595;MM449595;CNCCOCC#CCF;USVLIRHEQMSUAI-UHFFFAOYSA-N;145.18;0.2;;;;;DOPC;MDCG;27;1;"MARTINI bead: P2_C5";;;;;;;0.54;;-3.35;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM449596;MM449596;C=Cn1c(N)cncc1=O;BNNRXYQKWOAOEF-UHFFFAOYSA-N;137.14;-0.07;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP1_SP3";;;;;;;-1.93;;-4.72;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM449597;MM449597;CCC#CCOCCOC;RBQYWQUYBBWKGT-UHFFFAOYSA-N;142.2;1.06;;;;;DOPC;MDCG;27;0;"MARTINI bead: C3_P2";;;;;;;1.46;;-0.15;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM449598;MM449598;N=Cn1c(N)cncc1=O;ZXEJSUFKHDTZSH-UHFFFAOYSA-N;138.13;-0.72;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP1_SP3";;;;;;;-1.93;;-4.72;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM449599;MM449599;CCC#CCOCOCC;YEPADVYHRIMGFX-UHFFFAOYSA-N;142.2;1.41;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_C3";;;;;;;1.74;;0.29;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM449600;MM449600;O=C1CC(=O)C(=O)CC1=O;AFUIDKJBMQWQIO-UHFFFAOYSA-N;140.09;-0.94;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNa_SNa";;;;;;;0.87;;-8.66;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM449601;MM449601;O=c1o[nH]nc1[N+](=O)[O-];IIUKRZZGOQJGMJ-UHFFFAOYSA-N;131.05;-0.73;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP1_SP2";;;;;;;-1.06;;-9.1;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM449602;MM449602;CCOCOCC#CCF;MSASSHVILBNHEE-UHFFFAOYSA-N;146.16;0.97;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_Na";;;;;;;0.87;;-2.22;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM449603;MM449603;C=Cn1c(F)cncc1=O;APDOWKWKBNCEPR-UHFFFAOYSA-N;140.12;0.48;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP1_SP1";;;;;;;-0.79;;-3.13;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM449604;MM449604;C=CC#CCCCCCC;GGFFPUFVAVUWAN-UHFFFAOYSA-N;136.24;3.15;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1_C4";;;;;;;4.24;;0.42;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM449605;MM449605;CCCCCCC#CC=O;ZQGZJHCODJQNCB-UHFFFAOYSA-N;138.21;2.16;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1_C5";;;;;;;3.68;;0.46;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM449606;MM449606;N=Cn1c(F)cncc1=O;DYICWKISENHXNK-UHFFFAOYSA-N;141.11;-0.16;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP1_SP2";;;;;;;-1.06;;-3.82;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM449607;MM449607;CCCCCCC#CC#N;LVZVEAOJFLMDAP-UHFFFAOYSA-N;135.21;2.48;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1_N0";;;;;;;3.21;;0.46;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM449608;MM449608;O=Cn1c(F)cncc1=O;FAMJXFYGJVLLFE-UHFFFAOYSA-N;142.09;-0.58;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP1_SP2";;;;;;;-1.06;;-3.82;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM449609;MM449609;C=CC#CCCCCCN;QVALLQKKMQBGGI-UHFFFAOYSA-N;137.23;1.69;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_C4";;;;;;;2.2;;-2.22;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM449610;MM449610;C=Nn1c(C)cncc1=N;HDQNGCXESMGEIO-UHFFFAOYSA-N;136.16;0.13;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP1_SP2";;;;;;;-1.06;;-3.82;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM449611;MM449611;CC(C#N)NC(C)C=O;JUQLCFQRFLSLQU-UHFFFAOYSA-N;126.16;0.08;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_P2";;;;;;;-0.24;;-3.24;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM449612;MM449612;C=Nn1c(N)cncc1=N;VTYHHPJPTCMEQL-UHFFFAOYSA-N;137.15;-0.59;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP1_SP3";;;;;;;-1.93;;-4.72;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM449613;MM449613;C=NNC(C=CN)=NC;PUXBADZCFLHTFY-UHFFFAOYSA-N;126.16;-0.31;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nd_P1";;;;;;;0.04;;-2.63;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM449614;MM449614;C=Nn1c(F)cncc1=N;CGAOQWVSVXJBRP-UHFFFAOYSA-N;140.12;-0.03;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP1_SP2";;;;;;;-1.06;;-3.82;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM449615;MM449615;C=Nn1c(C)cncc1=O;TZQXOFSZXJNUCQ-UHFFFAOYSA-N;137.14;0.02;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP1_SP2";;;;;;;-1.06;;-3.82;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM449616;MM449616;Nc1c(F)nn(N)c1N;DUPHTRZWHMLXTL-UHFFFAOYSA-N;131.11;-1.1;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP1_SP2";;;;;;;-1.06;;-3.82;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM449617;MM449617;C=Nn1c(N)cncc1=O;OVXOKAYEYJLCEV-UHFFFAOYSA-N;138.13;-0.71;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP1_SP3";;;;;;;-1.93;;-4.72;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM449618;MM449618;C=CC#CCCCCNC;KOTAEKGLXMWSPK-UHFFFAOYSA-N;137.23;1.57;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_C4";;;;;;;2.2;;-2.54;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM449619;MM449619;CNCCCCC#CC#N;BLGJXWXPVASHMU-UHFFFAOYSA-N;136.2;0.9;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_N0";;;;;;;1.17;;-4.16;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM449620;MM449620;C=CC#CCCCCOC;PHPXTJMBNWDVQV-UHFFFAOYSA-N;138.21;1.99;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_C2";;;;;;;2.83;;0.35;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM449621;MM449621;C=Nn1c(F)cncc1=O;CSHCINDPMRUACX-UHFFFAOYSA-N;141.11;-0.15;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP1_SP2";;;;;;;-1.06;;-3.82;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM449622;MM449622;C=Cn1c(C)nncc1=N;JNYLBZHZSNYXQB-UHFFFAOYSA-N;136.16;0.17;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP1_SP3";;;;;;;-1.93;;-4.72;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM449623;MM449623;COCCCCC#CC#N;QSQYGOFCZRHGEL-UHFFFAOYSA-N;137.18;1.33;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_N0";;;;;;;1.17;;-1.18;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM449624;MM449624;Cc1nncc(=N)n1C=N;NUVGQBXWRWZOBU-UHFFFAOYSA-N;137.15;-0.48;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP1_SP3";;;;;;;-1.93;;-4.72;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM449625;MM449625;C=CC#CCCCNCC;MQMDVNUIPBTJOR-UHFFFAOYSA-N;137.23;1.57;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_C4";;;;;;;2.2;;-2.57;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM449626;MM449626;Cc1nncc(=N)n1C=O;BSFUUKIWNPSLPT-UHFFFAOYSA-N;138.13;-0.9;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP1_SP3";;;;;;;-1.93;;-4.72;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM449627;MM449627;CCNCCCC#CC#N;OZBFFLGEAZGITH-UHFFFAOYSA-N;136.2;0.9;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_N0";;;;;;;1.17;;-4.12;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM449628;MM449628;N=c1nn[nH]nc1[N+](=O)[O-];IXDCYVPIZREFOM-UHFFFAOYSA-N;142.08;-1.41;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP2_SP2";;;;;;;-1.34;;-9.64;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM449629;MM449629;C=CC#CCCCOCC;ZBDODNHZQMVLPS-UHFFFAOYSA-N;138.21;1.99;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_C4";;;;;;;2.97;;0.45;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM449630;MM449630;CCOCCCC#CC#N;UOKYPCVPPLWFAG-UHFFFAOYSA-N;137.18;1.33;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_N0";;;;;;;1.94;;0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM449631;MM449631;Cc1nncc(=O)n1C=N;HDHHQRHXKJCTHB-UHFFFAOYSA-N;138.13;-0.6;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP1_SP3";;;;;;;-1.93;;-4.72;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM449632;MM449632;C=CC#CCCNCCC;SBCURPBBDIWNCD-UHFFFAOYSA-N;137.23;1.57;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_C4";;;;;;;2.2;;-2.13;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM449633;MM449633;CCCNCCC#CC=O;WIALSSVNJINVEA-UHFFFAOYSA-N;139.2;0.58;;;;;DOPC;MDCG;27;1;"MARTINI bead: C5_P1";;;;;;;0.81;;-2.91;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM449634;MM449634;Cc1nncc(=O)n1C=O;CWLKZJFUYYLQKM-UHFFFAOYSA-N;139.11;-1.01;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP1_SP3";;;;;;;-1.93;;-4.72;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM449635;MM449635;CCCNCCC#CC#N;GLVHITQUBCACBM-UHFFFAOYSA-N;136.2;0.9;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_N0";;;;;;;1.17;;-3.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM449636;MM449636;N=Cn1c(N)nncc1=O;VINNSAYUFSLTCR-UHFFFAOYSA-N;139.12;-1.32;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP2_SP3";;;;;;;-2.2;;-5.19;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM449637;MM449637;C=CC#CCCNCCO;FHJUKRYBTITFQX-UHFFFAOYSA-N;139.2;0.15;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1_N0";;;;;;;0.34;;-3.5;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM449638;MM449638;Nc1nncc(=O)n1C=O;VJSHIOWOEVIUTN-UHFFFAOYSA-N;140.1;-1.74;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP2_SP3";;;;;;;-2.2;;-5.19;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM449639;MM449639;C=CC#CCCOCCC;ZVOKZWGVVXVNSF-UHFFFAOYSA-N;138.21;1.99;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_C4";;;;;;;2.2;;0.34;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM449640;MM449640;Cc1noc(=N)nc1O;LODMKVRSGNMRDS-UHFFFAOYSA-N;127.1;-0.44;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP2_SP2";;;;;;;-1.34;;-9.64;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM449641;MM449641;CCCOCCC#CC#N;JOOFDJZHLVMWNY-UHFFFAOYSA-N;137.18;1.33;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_N0";;;;;;;1.17;;-1.18;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM449642;MM449642;CON=CC(=NO)C(F)F;GOAZRQRYCIYVPR-UHFFFAOYSA-N;152.1;0.71;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_N0";;;;;;;0.34;;-7.43;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM449643;MM449643;C=CC#CCCOCCN;CQOIYLPWTZJHJH-UHFFFAOYSA-N;139.2;0.54;;;;;DOPC;MDCG;27;1;"MARTINI bead: P2_C4";;;;;;;1.09;;-2.38;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM449644;MM449644;C=Nn1c(C)nncc1=N;WKVOYIIVXUWNKA-UHFFFAOYSA-N;137.15;-0.47;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP1_SP3";;;;;;;-1.93;;-4.72;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM449645;MM449645;CNn1nnc(F)c1N;GNWCWVCDQLNHEU-UHFFFAOYSA-N;131.11;-0.83;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP2_SP1";;;;;;;-1.06;;-3.82;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM449646;MM449646;C=CC#CCCOCCO;VFJGJSKURNHGQQ-UHFFFAOYSA-N;140.18;0.57;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_C4";;;;;;;1.09;;-0.38;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM449647;MM449647;C=Nn1c(C)nncc1=O;JPUFTNYWCTZCFL-UHFFFAOYSA-N;138.13;-0.59;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP1_SP3";;;;;;;-1.93;;-4.72;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM449648;MM449648;N#CC#CCCOCCO;POQQGEWDZJWQQL-UHFFFAOYSA-N;139.15;-0.09;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_N0";;;;;;;0.06;;-2.21;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM449649;MM449649;C=CC#CCCOCOC;ORLVWUDPFJIOMW-UHFFFAOYSA-N;140.18;1.19;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_C4";;;;;;;1.37;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM449650;MM449650;C=Nn1c(N)nncc1=O;ITVFQAIAIMONOP-UHFFFAOYSA-N;139.12;-1.32;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP2_SP3";;;;;;;-2.2;;-5.19;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM449651;MM449651;COCOCCC#CC=O;JBMJDKXSYHKTAS-UHFFFAOYSA-N;142.15;0.2;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_C5";;;;;;;0.81;;-0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM449652;MM449652;CN=c1c(C)cccn1C;BPHUFBBCYJOWPM-UHFFFAOYSA-N;136.2;0.86;;;;;DOPC;MDCG;27;1;"MARTINI bead: SN0_SN0";;;;;;;1.47;;-5.4;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM449653;MM449653;C=CC#CCNCCCC;JMAUFPDOUMXEQE-UHFFFAOYSA-N;137.23;1.57;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_C4";;;;;;;2.2;;-1.3;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM449654;MM449654;Cc1cccn(C)c1=NN;SOZHJPBZACSGAY-UHFFFAOYSA-N;137.19;0.11;;;;;DOPC;MDCG;27;1;"MARTINI bead: SN0_SNd";;;;;;;1.17;;-4.35;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM449655;MM449655;C=CC#CCNCCCN;RSRVQRIJBRKGHT-UHFFFAOYSA-N;138.21;0.11;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_Nd";;;;;;;0.87;;-4.62;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM449656;MM449656;CN=c1c(N)cccn1C;VCXJBIAEMLBXQX-UHFFFAOYSA-N;137.19;0.14;;;;;DOPC;MDCG;27;1;"MARTINI bead: SN0_SNd";;;;;;;1.17;;-4.17;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM449657;MM449657;C=CC#CCNCCNC;QNDHLWGTNMHZRS-UHFFFAOYSA-N;138.21;-0.02;;;;;DOPC;MDCG;27;1;"MARTINI bead: P3_C4";;;;;;;0.23;;-3.17;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM449658;MM449658;Cn1cccc(N)c1=NO;XCQYETLQUDVSSP-UHFFFAOYSA-N;139.16;-0.1;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNd_SNda";;;;;;;0.87;;-1.92;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM449659;MM449659;CNCCNCC#CC=O;OXSYTLIMGYIHSK-UHFFFAOYSA-N;140.19;-1;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_P2";;;;;;;-0.24;;-5.21;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM449660;MM449660;Cn1cccc(O)c1=NN;IUBJISOUEMMJTA-UHFFFAOYSA-N;139.16;-0.49;;;;;DOPC;MDCG;27;1;"MARTINI bead: SNda_SNd";;;;;;;0.87;;-6.19;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM449661;MM449661;C=CC#CCOCCCC;DQNFXNYWHRWUOJ-UHFFFAOYSA-N;138.21;1.99;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_C4";;;;;;;2.2;;0.34;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM449662;MM449662;CN=c1c(F)cccn1C;LCQPUPNRBHYXTR-UHFFFAOYSA-N;140.16;0.69;;;;;DOPC;MDCG;27;1;"MARTINI bead: SN0_SNa";;;;;;;1.17;;-2.6;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM449663;MM449663;CCCCOCC#CC=O;FNUDEKIIVHWNHD-UHFFFAOYSA-N;140.18;1.01;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4_P1";;;;;;;1.37;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM449664;MM449664;Cn1cccc(F)c1=NO;WLCYRBPYUJZVCI-UHFFFAOYSA-N;142.13;0.45;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNa_SNda";;;;;;;0.87;;-1.99;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM449665;MM449665;CCCCOCC#CC#N;YEDVUCJEEQMJSD-UHFFFAOYSA-N;137.18;1.33;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_N0";;;;;;;1.17;;-1.18;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM449666;MM449666;CN=c1c(C)cccn1N;VURQFAZOCZCMFM-UHFFFAOYSA-N;137.19;0.04;;;;;DOPC;MDCG;27;1;"MARTINI bead: SNd_SN0";;;;;;;1.17;;-4.12;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM449667;MM449667;C=CC#CCOCCCN;RZZHEUWEBURSBO-UHFFFAOYSA-N;139.2;0.54;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1_C5";;;;;;;0.81;;-3.21;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM449668;MM449668;C=Cn1ncc(N)c1F;CQKZTXJUZIKXAV-UHFFFAOYSA-N;127.12;0.7;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP1_SNa";;;;;;;0.04;;-2.54;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM449669;MM449669;C=CC#CCOCCCO;PRCARGDHBCLHAC-UHFFFAOYSA-N;140.18;0.57;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_C5";;;;;;;0.81;;-0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM449670;MM449670;CNC1=C(C)C(=O)N=C1;QOQFRIDVUSQPDT-UHFFFAOYSA-N;124.14;0.09;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNd_SNa";;;;;;;0.87;;-1.88;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM449671;MM449671;C=CC#CCOCCNC;AANUWOLVVCOIMX-UHFFFAOYSA-N;139.2;0.41;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1_C5";;;;;;;0.81;;-2.76;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM449672;MM449672;C#CC1CNC(C=O)=N1;CLPYUVXACHJCJR-UHFFFAOYSA-N;122.13;-0.81;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP2_SP1";;;;;;;-1.06;;-3.82;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM449673;MM449673;C=CC#CCOCCOC;RUQXRNWVGNFXRF-UHFFFAOYSA-N;140.18;0.84;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_Na";;;;;;;0.87;;-2.22;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM449674;MM449674;CN=c1c(O)cccn1N;ZNKVGLDERQHRKZ-UHFFFAOYSA-N;139.16;-0.56;;;;;DOPC;MDCG;27;1;"MARTINI bead: SNd_SNda";;;;;;;0.87;;-6.07;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM449675;MM449675;COCCOCC#CC=O;CZSDIGLCMYMQNA-UHFFFAOYSA-N;142.15;-0.15;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_C5";;;;;;;0.54;;-1.09;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM449676;MM449676;Nn1cccc(O)c1=NO;LIHWZNGGESZOPH-UHFFFAOYSA-N;141.13;-0.8;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNda_SP1";;;;;;;0.04;;-2.73;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM449677;MM449677;C=CC#CCOCOCC;OPCWSIAXSZKJJW-UHFFFAOYSA-N;140.18;1.19;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_C4";;;;;;;1.37;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM449678;MM449678;C=CC=NNC(C)(C)C#N;BCYFLLFYDBAUPW-UHFFFAOYSA-N;137.19;1.05;;;;;DOPC;MDCG;27;0;"MARTINI bead: N0_Nd";;;;;;;1.17;;-1.04;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM449679;MM449679;CCOCOCC#CC=O;NEGIENNTCVXDBQ-UHFFFAOYSA-N;142.15;0.2;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_C5";;;;;;;0.81;;-0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM449680;MM449680;Nn1cccc(F)c1=NO;XULGHIZYKPPNJB-UHFFFAOYSA-N;143.12;-0.37;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNa_SP1";;;;;;;0.04;;-2.54;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM449681;MM449681;C#CC#CCCCCCC;TWNSNUSORGVGBI-UHFFFAOYSA-N;134.22;2.59;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1_C2";;;;;;;4.87;;0.53;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM449682;MM449682;CN=c1c(C)cccn1O;LPFNBDVDNOMWGH-UHFFFAOYSA-N;138.17;0.56;;;;;DOPC;MDCG;27;1;"MARTINI bead: SN0_SNda";;;;;;;1.17;;-3.8;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM449683;MM449683;C#CC#CCCCCCN;CDKIVIBOFLLQBC-UHFFFAOYSA-N;135.21;1.14;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_C4";;;;;;;2.2;;-2.22;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM449684;MM449684;Cc1cccn(O)c1=NO;SXPFCULZXVBNAL-UHFFFAOYSA-N;140.14;0.32;;;;;DOPC;MDCG;27;0;"MARTINI bead: SN0_SP1";;;;;;;0.34;;-1.53;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM449685;MM449685;C=CC=NNC=NCC;WCCTZOBBWVTOQX-UHFFFAOYSA-N;125.18;0.8;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_Nd";;;;;;;1.64;;0.03;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM449686;MM449686;CCNN=CC(F)(F)CC;DPDWPHBSUMEVLS-UHFFFAOYSA-N;150.17;1.63;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_C4";;;;;;;1.37;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM449687;MM449687;C#CC#CCCCCCF;QRZWITJAERRWRI-UHFFFAOYSA-N;138.19;2.15;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4_C2";;;;;;;4.16;;0.44;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM449688;MM449688;C#CC#CCCCCNC;WEMTZANAYGCOGN-UHFFFAOYSA-N;135.21;1.01;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_C4";;;;;;;2.2;;-2.54;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM449689;MM449689;Nc1cccn(O)c1=NO;XJKJJVGCLLRHHZ-UHFFFAOYSA-N;141.13;-0.4;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNd_SP1";;;;;;;0.04;;-2.63;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM449690;MM449690;C#CC#CCCCCOC;CZPCTQDQUIKJCV-UHFFFAOYSA-N;136.19;1.44;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_C2";;;;;;;2.83;;0.35;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM449691;MM449691;CC(N)=CC(=O)N(N)C=N;JYGIIDNBHWGJEI-UHFFFAOYSA-N;142.16;-0.84;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nd_P4";;;;;;;-1.19;;-4.91;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM449692;MM449692;C=NNC1CC(C)(C#N)C1;RXYIYSAAYLJWQS-UHFFFAOYSA-N;137.19;0.88;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC5_SNd";;;;;;;1.64;;0.02;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM449693;MM449693;C#CC#CCCCNCC;KKVGRVJEGWJMMR-UHFFFAOYSA-N;135.21;1.01;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_C4";;;;;;;2.2;;-2.53;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM449694;MM449694;CN=c1c(C)cncn1C;BOONAJLTQWQDCZ-UHFFFAOYSA-N;137.19;0.26;;;;;DOPC;MDCG;27;1;"MARTINI bead: SP1_SP1";;;;;;;-0.79;;-5.41;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM449695;MM449695;C#CC#CCCCOCC;LHCWGMQOJFRUNU-UHFFFAOYSA-N;136.19;1.44;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_C4";;;;;;;2.97;;0.45;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM449696;MM449696;C=NOCCC(=C)C(C)=O;KKIOOBUMOLONNS-UHFFFAOYSA-N;141.17;1.15;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_Na";;;;;;;0.87;;-2.22;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM449697;MM449697;C#CC#CCCNCCC;ZKIYNFYVVDLFCG-UHFFFAOYSA-N;135.21;1.01;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_C4";;;;;;;2.2;;-2.05;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM449698;MM449698;C=C(C)C(C)=NNCC#N;JFYBPMRQFIQSPT-UHFFFAOYSA-N;137.19;1.05;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1_P3";;;;;;;0.94;;0.03;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM449699;MM449699;C#CC#CCCNCCN;YGNLHOWBLBGBOM-UHFFFAOYSA-N;136.2;-0.44;;;;;DOPC;MDCG;27;1;"MARTINI bead: P3_C4";;;;;;;0.23;;-3.3;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM449700;MM449700;CN=c1c(F)cncn1C;YQVGQDUUQDPKLN-UHFFFAOYSA-N;141.15;0.09;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP1_SNa";;;;;;;0.04;;-2.54;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM449701;MM449701;C#CC#CCCOCCC;MPQIBIFWNBZTCJ-UHFFFAOYSA-N;136.19;1.44;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_C4";;;;;;;2.2;;0.34;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM449702;MM449702;CC1(CF)CC(CF)=NN1;XSSXBIKWHZRUEH-UHFFFAOYSA-N;148.16;1.03;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNda_SP1";;;;;;;0.04;;-2.73;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM449703;MM449703;C#CC#CCCOCCN;NFWMBUPEJSKBIM-UHFFFAOYSA-N;137.18;-0.01;;;;;DOPC;MDCG;27;1;"MARTINI bead: P2_C4";;;;;;;1.09;;-2.38;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM449704;MM449704;C#CC#CCCOCCO;VNAHJLNDLQIZMD-UHFFFAOYSA-N;138.17;0.02;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_C4";;;;;;;1.09;;-0.38;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM449705;MM449705;C=CCCC(F)C=NN=C;MAESRZNXINTLQR-UHFFFAOYSA-N;142.18;1.98;;;;;DOPC;MDCG;27;0;"MARTINI bead: C3_Na";;;;;;;2.57;;0.45;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM449706;MM449706;C#CC#CCCOCOC;ALJWTPZKOYRUPL-UHFFFAOYSA-N;138.17;0.63;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_C4";;;;;;;1.37;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM449707;MM449707;Cc1cncn(N)c1=NO;BGLAIONSHOGIPB-UHFFFAOYSA-N;140.15;-0.8;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP1_SP2";;;;;;;-1.06;;-3.82;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM449708;MM449708;C#CC#CCNCCCC;BDIHRNHRSAAGOI-UHFFFAOYSA-N;135.21;1.01;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_C4";;;;;;;2.2;;-1.05;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM449709;MM449709;N=C(C=O)NCC#CC=O;NPQSLGZBOLYRJD-UHFFFAOYSA-N;138.13;-1.05;;;;;DOPC;MDCG;27;0;"MARTINI bead: P3_C5";;;;;;;-0.33;;-2.01;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM449710;MM449710;C#CC#CCNCCCN;RXXZPRRGSFKXGQ-UHFFFAOYSA-N;136.2;-0.44;;;;;DOPC;MDCG;27;1;"MARTINI bead: P3_C4";;;;;;;0.23;;-3.48;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM449711;MM449711;Nc1cncn(N)c1=NO;HUOWMIRUFJWSFW-UHFFFAOYSA-N;141.13;-1.53;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP1_SP2";;;;;;;-1.06;;-3.82;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM449712;MM449712;C#CC#CCNCCCF;IFJRDDDVFAGPHN-UHFFFAOYSA-N;139.17;0.57;;;;;DOPC;MDCG;27;1;"MARTINI bead: C5_Nd";;;;;;;1.64;;-1.17;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM449713;MM449713;NN=c1c(O)cncn1N;SRHJYSIGTHVTHU-UHFFFAOYSA-N;141.13;-1.92;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP3_SP1";;;;;;;-1.93;;-4.72;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM449714;MM449714;C#CC#CCOCCCC;HFRJNJFQIVALHI-UHFFFAOYSA-N;136.19;1.44;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_C4";;;;;;;2.2;;0.34;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM449715;MM449715;CN=c1c(F)cncn1N;WTKRCUDYLHOJQK-UHFFFAOYSA-N;142.14;-0.73;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP2_SNa";;;;;;;-0.24;;-3.24;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM449716;MM449716;C#CC#CCOCCCN;BGNKUTAFXSOTLO-UHFFFAOYSA-N;137.18;-0.01;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1_C5";;;;;;;0.81;;-3.21;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM449717;MM449717;C=NNC(CC)C(=O)OC;ZUWKSIMYRCTBLG-UHFFFAOYSA-N;144.17;0.14;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_P1";;;;;;;0.81;;-0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM449718;MM449718;C#CC#CCOCCCO;ORBFZGMHHULMPA-UHFFFAOYSA-N;138.17;0.02;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_C5";;;;;;;0.81;;-0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM449719;MM449719;CCON=C(NN)OCC;HUCNVFZFOOIFBM-UHFFFAOYSA-N;147.18;-0.21;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_C5";;;;;;;0.54;;-1.09;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM449720;MM449720;C#CC#CCOCCNC;PWBYAVVXAUOLLX-UHFFFAOYSA-N;137.18;-0.14;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1_C5";;;;;;;0.81;;-2.76;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM449721;MM449721;Cc1cncn(O)c1=NO;WHDPRJPCZWWZCK-UHFFFAOYSA-N;141.13;-0.28;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNa_SP2";;;;;;;-0.24;;-3.24;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM449722;MM449722;C#CC#CCOCCOC;KYFMCTOHTSZWAG-UHFFFAOYSA-N;138.17;0.29;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_C4";;;;;;;1.09;;-0.38;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM449723;MM449723;N=c1nnn(N)c(N)c1F;MVHDGAIEGFVSAL-UHFFFAOYSA-N;144.11;-1.81;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP2_SP2";;;;;;;-1.34;;-4.31;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM449724;MM449724;C#CC#CCOCOCC;AUQPEPSZSGGLCU-UHFFFAOYSA-N;138.17;0.63;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_C4";;;;;;;1.37;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM449725;MM449725;C=CC=NNC(C#N)CC;YZAIHMFMXKJYKK-UHFFFAOYSA-N;137.19;1.05;;;;;DOPC;MDCG;27;0;"MARTINI bead: N0_Nd";;;;;;;1.17;;-1.04;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM449726;MM449726;Nc1cncn(O)c1=NO;OYUDQVYFHDOWHC-UHFFFAOYSA-N;142.12;-1.01;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP1_SP2";;;;;;;-1.06;;-3.82;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM449727;MM449727;C=CCCCCC#CCC;MXNLYNZLPGFTIO-UHFFFAOYSA-N;136.24;3.15;;;;;DOPC;MDCG;27;0;"MARTINI bead: C3_C1";;;;;;;4.61;;0.31;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM449728;MM449728;C#CC(CF)NN=CC=C;KYYSWLXIGNURKX-UHFFFAOYSA-N;140.16;0.72;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_Nd";;;;;;;0.87;;-1.88;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM449729;MM449729;C=CCCCCC#CCN;GJKNJBZWWHBHSL-UHFFFAOYSA-N;137.23;1.69;;;;;DOPC;MDCG;27;1;"MARTINI bead: P2_C1";;;;;;;1.8;;-0.44;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM449730;MM449730;C=CCCCCC#CCO;ZTJSGWDVPYJTHY-UHFFFAOYSA-N;138.21;1.73;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_C1";;;;;;;1.8;;0.4;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM449731;MM449731;C=NNCCC1(C#N)CO1;ZICVRXBHTNNEMQ-UHFFFAOYSA-N;139.16;-0.13;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_SNa";;;;;;;-0.24;;-3.24;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM449732;MM449732;CCC#CCCCCC#N;KEOMZFMESVTKAS-UHFFFAOYSA-N;135.21;2.48;;;;;DOPC;MDCG;27;0;"MARTINI bead: C3_N0";;;;;;;2.87;;0.37;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM449733;MM449733;CN=c1c(C)cnnn1C;DHBXFJSROPSBOO-UHFFFAOYSA-N;138.17;-0.35;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP1_SP2";;;;;;;-1.06;;-3.82;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM449734;MM449734;N#CCCCCC#CCO;XHMIOIYQVUCOTI-UHFFFAOYSA-N;137.18;1.07;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_C5";;;;;;;0.54;;-1.09;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM449735;MM449735;N=C1NC(=CF)C=CC1=O;NQPNWFAPGSIJCL-UHFFFAOYSA-N;140.12;0.5;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNda_SP1";;;;;;;0.04;;-2.73;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM449736;MM449736;N=CNCCCC#CCN;BKTAAQSLOOUGIX-UHFFFAOYSA-N;139.2;-0.07;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_P2";;;;;;;-0.24;;-7.55;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM449737;MM449737;Cc1cnnn(C)c1=NO;IXXDBYJPKWSVLD-UHFFFAOYSA-N;140.15;-0.59;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP2_SP2";;;;;;;-1.34;;-4.31;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM449738;MM449738;N=CNCCCC#CCO;BAVIEMKJWOPNSC-UHFFFAOYSA-N;140.19;-0.04;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nda_P2";;;;;;;-0.24;;-7.58;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM449739;MM449739;C=NN=C1C=CC(OC)C1;NUXVYNAGWFPRMW-UHFFFAOYSA-N;138.17;1.02;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNa_SC5";;;;;;;1.64;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM449740;MM449740;N=CNCCCC#CCF;FBWLUKSJOBQWRD-UHFFFAOYSA-N;142.18;0.94;;;;;DOPC;MDCG;27;1;"MARTINI bead: C5_P2";;;;;;;0.54;;-5.49;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM449741;MM449741;C#CCC1CN(C=N)C1=O;BZYDCWYIYRIPDI-UHFFFAOYSA-N;136.15;0.08;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP2_SP1";;;;;;;-1.06;;-3.82;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM449742;MM449742;CNCC(F)(C#N)C(=N)N;VXRRYRLVAHVQED-UHFFFAOYSA-N;144.15;-0.63;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_P2";;;;;;;-1.06;;-3.82;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM449743;MM449743;Cn1nncc(N)c1=NO;APNVFKJRTXYYAZ-UHFFFAOYSA-N;141.13;-1.31;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP2_SP3";;;;;;;-2.2;;-5.19;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM449744;MM449744;C=NNCCCC#CCC;OEDCJHLOBQBEJH-UHFFFAOYSA-N;138.21;1.39;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1_P2";;;;;;;1.8;;0.4;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM449745;MM449745;CN=c1c(F)cnnn1C;LSAPVSWIBOKBGB-UHFFFAOYSA-N;142.14;-0.52;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP2_SP1";;;;;;;-1.06;;-3.82;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM449746;MM449746;C=COCCCC#CCC;FEZANPXUWDPKSE-UHFFFAOYSA-N;138.21;2.34;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1_Na";;;;;;;2.91;;0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM449747;MM449747;C=CC(=O)C1CN1N=CC;XOADIYAUEWBVKC-UHFFFAOYSA-N;138.17;0.43;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP1_Na";;;;;;;0.04;;-2.54;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM449748;MM449748;C=COCCCC#CCN;GZLSOMAWJSOQSV-UHFFFAOYSA-N;139.2;0.89;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_C5";;;;;;;1.64;;-1.41;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM449749;MM449749;CN=c1c(C)cnnn1N;LTBNBGXRBDFFHN-UHFFFAOYSA-N;139.16;-1.17;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP2_SP2";;;;;;;-1.34;;-4.31;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM449750;MM449750;CCC#CCCCOC=O;YFQUORMXOGGDCI-UHFFFAOYSA-N;140.18;1.35;;;;;DOPC;MDCG;27;0;"MARTINI bead: C3_Na";;;;;;;2.57;;0.45;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM449751;MM449751;CC1=NNCC1F;XDQYZDDXRSXDQF-UHFFFAOYSA-N;102.11;0.3;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP1_SP1";;;;;;;-0.79;;-3.13;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM449752;MM449752;C=NOCCCC#CCC;VVTJOZCZXRFWFW-UHFFFAOYSA-N;139.2;1.81;;;;;DOPC;MDCG;27;0;"MARTINI bead: C3_Na";;;;;;;2.57;;0.45;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM449753;MM449753;Cc1cnnn(N)c1=NO;ZGZOPTXRKYZSHO-UHFFFAOYSA-N;141.13;-1.41;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP2_SP2";;;;;;;-1.34;;-4.31;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM449754;MM449754;C=NOCCCC#CCN;MLVIKLZDILQHMC-UHFFFAOYSA-N;140.19;0.36;;;;;DOPC;MDCG;27;1;"MARTINI bead: P2_C5";;;;;;;0.54;;-2.59;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM449755;MM449755;C=C1C(=N)NOC1=O;YXWHRBQNRDNYFR-UHFFFAOYSA-N;112.09;-0.42;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP2_SP1";;;;;;;-1.06;;-3.82;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM449756;MM449756;C=NOC(=N)NOC(C)=O;BFRDIQZNCUYFQS-UHFFFAOYSA-N;145.12;-0.38;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_P2";;;;;;;-0.24;;-3.24;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM449757;MM449757;CCNN=CC(C)(F)F;FZBHRMJNGMPBMY-UHFFFAOYSA-N;136.15;1.24;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_C5";;;;;;;0.81;;-0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM449758;MM449758;C=CCNCCC#CCC;REHQSZZGZQXZRI-UHFFFAOYSA-N;137.23;1.57;;;;;DOPC;MDCG;27;1;"MARTINI bead: C3_Nd";;;;;;;2.57;;-0.72;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM449759;MM449759;Nc1cnnn(N)c1=NO;ADUSZVZYSFFIRA-UHFFFAOYSA-N;142.12;-2.14;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP2_SP2";;;;;;;-1.34;;-4.31;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM449760;MM449760;C=CCNCCC#CCN;KMCLDKPBHJCPQI-UHFFFAOYSA-N;138.21;0.11;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_Nd";;;;;;;0.87;;-4.2;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM449761;MM449761;CN=c1c(F)cnnn1N;NFAZCPOQTWSZBT-UHFFFAOYSA-N;143.13;-1.34;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP2_SP1";;;;;;;-1.06;;-3.82;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM449762;MM449762;CCC#CCCNCC#N;GFBCBCMYOSYUPZ-UHFFFAOYSA-N;136.2;0.9;;;;;DOPC;MDCG;27;0;"MARTINI bead: C3_P2";;;;;;;1.46;;-0.15;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM449763;MM449763;CC(N)=CC(=O)N(C)N;RRVICSWPYGMDBQ-UHFFFAOYSA-N;129.16;-0.82;;;;;DOPC;MDCG;27;0;"MARTINI bead: P4_Nd";;;;;;;-1.19;;-4.91;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM449764;MM449764;N#CCNCCC#CCF;WAIWNUDWYQILQK-UHFFFAOYSA-N;140.16;0.46;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_P2";;;;;;;-0.24;;-3.24;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM449765;MM449765;C=CC1(C)CC(=O)N1N;WTGQYKLSWVULBZ-UHFFFAOYSA-N;126.16;0.04;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNd_SP2";;;;;;;-0.24;;-3.16;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM449766;MM449766;C=NN=C(C)CCC(C)=O;GXBXSLVHSOHFOJ-UHFFFAOYSA-N;140.19;1.43;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_C5";;;;;;;0.81;;-0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM449767;MM449767;C=NOC(=N)NC=CF;LQKIICFRJLNDDW-UHFFFAOYSA-N;131.11;0.58;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda_P1";;;;;;;0.04;;-2.73;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM449768;MM449768;NCC#CCCNNC=O;WJCWORNTEZXYSK-UHFFFAOYSA-N;141.17;-1.41;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_P4";;;;;;;-1.19;;-6.36;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM449769;MM449769;CN(C)C(=O)C(=N)NN;HJEGSNNQUIONEU-UHFFFAOYSA-N;130.15;-1.48;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_P3";;;;;;;-1.93;;-4.72;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM449770;MM449770;C=CCOCCC#CCC;ANVKPCIBLJJZNQ-UHFFFAOYSA-N;138.21;1.99;;;;;DOPC;MDCG;27;0;"MARTINI bead: C3_Na";;;;;;;2.57;;0.45;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM449771;MM449771;NN=c1c(N)cnnn1O;ONGQKBRXORDCAE-UHFFFAOYSA-N;142.12;-2.13;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP3_SP2";;;;;;;-2.2;;-5.19;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM449772;MM449772;C=CCOCCC#CCN;FGYHMGMHTGRCGX-UHFFFAOYSA-N;139.2;0.54;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_Na";;;;;;;0.87;;-3.38;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM449773;MM449773;CN=c1c(F)cnnn1O;YXPFYFYUHJJSDX-UHFFFAOYSA-N;144.11;-0.82;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP2_SP1";;;;;;;-1.06;;-3.82;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM449774;MM449774;C=CCOCCC#CCO;DHLJUQRJAXRFNZ-UHFFFAOYSA-N;140.18;0.57;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_C5";;;;;;;0.54;;-1.09;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM449775;MM449775;NN=c1c(F)cnnn1O;UGUAIMMSZBJZRL-UHFFFAOYSA-N;145.1;-1.57;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP2_SP1";;;;;;;-1.06;;-3.82;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM449776;MM449776;C=CCOCCC#CCF;ABCVPPCPJBBPPF-UHFFFAOYSA-N;142.17;1.55;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_C5";;;;;;;1.64;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM449777;MM449777;C=c1cccc(C)c1=CC;LSPAAVJHZKDDNA-UHFFFAOYSA-N;132.21;1.21;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC1_SC4";;;;;;;4.24;;0.42;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM449778;MM449778;CCC#CCCOCC=O;CIRIKSTZKVIQOK-UHFFFAOYSA-N;140.18;1.01;;;;;DOPC;MDCG;27;0;"MARTINI bead: C3_P1";;;;;;;1.74;;0.29;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM449779;MM449779;CCC#CCCOCC#N;RZYGPJCENWBJKP-UHFFFAOYSA-N;137.18;1.33;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_Na";;;;;;;1.64;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM449780;MM449780;C=c1cccc(C)c1=CF;KTBBHOQTNIRQTG-UHFFFAOYSA-N;136.17;1.11;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC4_SC4";;;;;;;3.53;;0.53;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM449781;MM449781;O=CCOCCC#CCO;ZWFWIWKLMAOMJE-UHFFFAOYSA-N;142.15;-0.41;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda_P1";;;;;;;0.04;;-2.73;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM449782;MM449782;C=c1cccc(F)c1=CC;BHOQVLAECQOCND-UHFFFAOYSA-N;136.17;1.04;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC1_SC5";;;;;;;3.68;;0.46;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM449783;MM449783;O=CCOCCC#CCF;CWPJQAAWEGBGIB-UHFFFAOYSA-N;144.15;0.56;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_Na";;;;;;;0.87;;-2.22;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM449784;MM449784;C=c1cccc(F)c1=CF;PBPHIJZBBFCCFV-UHFFFAOYSA-N;140.13;0.94;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC4_SC5";;;;;;;2.97;;0.45;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM449785;MM449785;C=CCCNCC#CCN;FNQJGAOHVXUOLZ-UHFFFAOYSA-N;138.21;0.11;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_Nd";;;;;;;0.87;;-4.09;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM449786;MM449786;Cc1onnc(=N)c1CN;FLGYVEVYIZLMBW-UHFFFAOYSA-N;140.15;-0.68;;;;;DOPC;MDCG;27;1;"MARTINI bead: SP2_SP2";;;;;;;-1.34;;-5.72;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM449787;MM449787;C=CCCOCC#CCN;JQRHWLCXTDWGPV-UHFFFAOYSA-N;139.2;0.54;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_Na";;;;;;;0.87;;-3.3;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM449788;MM449788;C=CC(C)=NNCC#N;YVYAGLMWYNLLLD-UHFFFAOYSA-N;123.16;0.66;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_P1";;;;;;;0.81;;-0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM449789;MM449789;CCC#CCOCCC=O;LIMTXXDJPMKICQ-UHFFFAOYSA-N;140.18;1.01;;;;;DOPC;MDCG;27;0;"MARTINI bead: C3_P2";;;;;;;1.46;;-0.15;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM449790;MM449790;Cc1onnc(=N)c1CF;SQZZMXSOGMFFMY-UHFFFAOYSA-N;143.12;0.33;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP2_SNa";;;;;;;-0.24;;-3.24;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM449791;MM449791;CCC#CCOCCC#N;IZRKFXKSKNVAOJ-UHFFFAOYSA-N;137.18;1.33;;;;;DOPC;MDCG;27;0;"MARTINI bead: C3_P2";;;;;;;1.46;;-0.15;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM449792;MM449792;CCC(=O)C(C)=NOC;PLVPHPBUUXBLRX-UHFFFAOYSA-N;129.16;0.99;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_P1";;;;;;;0.81;;-0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM449793;MM449793;O=CCCOCC#CCF;ATVFAPKAKFQVMC-UHFFFAOYSA-N;144.15;0.56;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_Na";;;;;;;0.87;;-2.22;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM449794;MM449794;N#CCCOCC#CCF;LYHFIYJIHYDRQK-UHFFFAOYSA-N;141.15;0.89;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_P2";;;;;;;0.54;;-1.09;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM449795;MM449795;N=C1C=C(N)C(=O)N1N;VMTDLSZXIXHDHE-UHFFFAOYSA-N;126.12;-1.48;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP1_SP2";;;;;;;-1.06;;-3.82;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM449796;MM449796;O=c1nc(O)c(F)no1;KSFZMFQZWJFINY-UHFFFAOYSA-N;132.05;-0.73;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP3_SP2";;;;;;;-2.2;;-9.64;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM449797;MM449797;C=COCOCC#CCC;VTMQMKTWRYFMCA-UHFFFAOYSA-N;140.18;1.53;;;;;DOPC;MDCG;27;0;"MARTINI bead: C3_P1";;;;;;;1.74;;0.29;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM449798;MM449798;Cc1onnc(=O)c1CN;YTVXTNZVMSQAQY-UHFFFAOYSA-N;141.13;-0.8;;;;;DOPC;MDCG;27;1;"MARTINI bead: SP2_SP2";;;;;;;-1.34;;-5.86;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM449799;MM449799;C=COCOCC#CCF;MCRASAXOMPMZBE-UHFFFAOYSA-N;144.15;1.09;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_P1";;;;;;;0.81;;-0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM449800;MM449800;Cc1onnc(=O)c1CO;MRBCZNQPINAQRO-UHFFFAOYSA-N;142.11;-0.77;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP2_SP1";;;;;;;-1.06;;-3.82;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM449801;MM449801;CCC#CCOCOC=O;KHPJLZHZAQNZQJ-UHFFFAOYSA-N;142.15;0.55;;;;;DOPC;MDCG;27;0;"MARTINI bead: C3_P2";;;;;;;1.46;;-0.15;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM449802;MM449802;Cc1onnc(=O)c1CF;WUKHFCXQRDWTIW-UHFFFAOYSA-N;144.11;0.21;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP2_SNa";;;;;;;-0.24;;-3.24;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM449803;MM449803;O=COCOCC#CCF;OJESNTWWMBKITB-UHFFFAOYSA-N;146.12;0.11;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_P2";;;;;;;0.54;;-1.09;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM449804;MM449804;Nc1onnc(=O)c1CO;OMPYAUPVOBFGII-UHFFFAOYSA-N;143.1;-1.5;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP2_SP3";;;;;;;-2.2;;-5.19;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM449805;MM449805;C=NOCOCC#CCC;XRHRCFSXRINSEJ-UHFFFAOYSA-N;141.17;1.01;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_P1";;;;;;;0.81;;-0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM449806;MM449806;Nc1onnc(=O)c1CF;SSKDNDCASKSUBA-UHFFFAOYSA-N;145.09;-0.52;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP2_SP2";;;;;;;-1.34;;-4.31;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM449807;MM449807;C=CC#CCCCCC=C;KOBTYRMVXHNETC-UHFFFAOYSA-N;134.22;2.92;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1_C4";;;;;;;4.24;;0.42;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM449808;MM449808;N#Cc1noc(=NO)[nH]1;MUJJDXJGGUBGLX-UHFFFAOYSA-N;126.08;-0.84;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP3_SNda";;;;;;;-1.1;;-8.5;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM449809;MM449809;C=CCCCCC#CC=O;RYKAJTQSOBZDPD-UHFFFAOYSA-N;136.19;1.94;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1_P1";;;;;;;2.08;;0.48;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM449810;MM449810;C=Cc1c(C)onnc1=N;CWBQFIQCWQMAPD-UHFFFAOYSA-N;137.14;0.5;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP2_SP1";;;;;;;-1.06;;-3.82;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM449811;MM449811;C=CCCCCC#CC#N;XHVXXYXELKJYEL-UHFFFAOYSA-N;133.19;2.26;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1_N0";;;;;;;3.21;;0.46;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM449812;MM449812;Cc1onnc(=N)c1C=O;PKQOLUXIUUVOEK-UHFFFAOYSA-N;139.11;-0.33;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP2_SP1";;;;;;;-1.06;;-3.82;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM449813;MM449813;C=CC#CCCCCC#N;HABXQCYMDLFENI-UHFFFAOYSA-N;133.19;2.26;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4_N0";;;;;;;2.5;;0.44;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM449814;MM449814;Cc1onnc(=N)c1C#N;ODZGWCWCROXBIT-UHFFFAOYSA-N;136.11;-0.27;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP2_SP1";;;;;;;-1.06;;-3.82;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM449815;MM449815;N#CC#CCCCCC=O;PQWQESIJYKQJOS-UHFFFAOYSA-N;135.17;1.27;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_N0";;;;;;;1.17;;-1.18;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM449816;MM449816;COn1cc(C)c(N)n1;SJGITKMRMHIJRD-UHFFFAOYSA-N;127.15;-0.17;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNa_SP1";;;;;;;0.04;;-2.54;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM449817;MM449817;N#CC#CCCCCC#N;SKYIIYFOTWRSCH-UHFFFAOYSA-N;132.17;1.6;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_N0";;;;;;;0.34;;-1.53;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM449818;MM449818;C#CC1=NC(N)=CC1=O;LCMDBYILWHBRCG-UHFFFAOYSA-N;120.11;-0.56;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNd_SNa";;;;;;;0.87;;-1.88;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM449819;MM449819;C=CC#CCCCNC=N;JBCXEAZGUKFIOR-UHFFFAOYSA-N;136.2;1.15;;;;;DOPC;MDCG;27;1;"MARTINI bead: C4_P2";;;;;;;1.09;;-4.74;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM449820;MM449820;C=Cc1c(C)onnc1=O;MDYKSDGDERMIIU-UHFFFAOYSA-N;138.13;0.38;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP2_SP1";;;;;;;-1.06;;-3.82;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM449821;MM449821;C#CC1(C)CC(=O)C(=N)N1;KHCBCYVDVOSZKW-UHFFFAOYSA-N;136.15;-0.08;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNd_SP2";;;;;;;-0.24;;-3.16;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM449822;MM449822;Cc1onnc(=O)c1C=O;ULHPZWVXNOGWTP-UHFFFAOYSA-N;140.1;-0.45;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP2_SP1";;;;;;;-1.06;;-3.82;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM449823;MM449823;O=CC#CCCCNC=O;JIERBQZHWZYWQS-UHFFFAOYSA-N;139.15;-0.29;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda_P1";;;;;;;0.04;;-2.73;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM449824;MM449824;Cc1onnc(=O)c1C#N;JWONZLKQAWXGEJ-UHFFFAOYSA-N;137.1;-0.39;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP2_SP1";;;;;;;-1.06;;-3.82;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM449825;MM449825;N#CC#CCCCNC=O;ROENKUVOQOZQGR-UHFFFAOYSA-N;136.15;0.04;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_N0";;;;;;;0.34;;-1.53;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM449826;MM449826;N#Cc1c(N)onnc1=O;CGXJWTFLPJLSTD-UHFFFAOYSA-N;138.09;-1.12;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP2_SP2";;;;;;;-1.34;;-4.31;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM449827;MM449827;C#Cc1c(C)onnc1=N;XCUYJTPXRKFDQU-UHFFFAOYSA-N;135.13;-0.16;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP2_SP1";;;;;;;-1.06;;-3.82;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM449828;MM449828;C=NNCCCC#CC#N;MCZZSILEYJITRK-UHFFFAOYSA-N;135.17;0.5;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nd_N0";;;;;;;1.17;;-1.04;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM449829;MM449829;C=COCCCC#CC#N;XJOULLMBGLXDJN-UHFFFAOYSA-N;135.17;1.45;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_N0";;;;;;;1.94;;0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM449830;MM449830;C#Cc1c(C)onnc1=O;SAAGFYYWSQEGKM-UHFFFAOYSA-N;136.11;-0.28;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP2_SP1";;;;;;;-1.06;;-3.82;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM449831;MM449831;C=CC#CCCCOC=O;VCGTZYNIPHKJIQ-UHFFFAOYSA-N;138.17;1.13;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4_Na";;;;;;;2.2;;0.34;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM449832;MM449832;Oc1c2[nH]c(c1O)CCC2;LBUIGXHEAMKQJF-UHFFFAOYSA-N;139.15;0.91;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNda_SC5";;;;;;;1.64;;0.05;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM449833;MM449833;N#CC#CCCCOC=O;WROKDXNDHFWWLY-UHFFFAOYSA-N;137.14;0.47;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_N0";;;;;;;1.17;;-1.18;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM449834;MM449834;O=c1c(F)c(F)[nH]n1O;UIUOYWXTMCDISG-UHFFFAOYSA-N;136.06;-0.31;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNda_SP2";;;;;;;-0.24;;-8.5;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM449835;MM449835;C=CC#CCCCON=C;LFMWPUNJXLTLJW-UHFFFAOYSA-N;137.18;1.59;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4_Na";;;;;;;2.2;;0.34;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM449836;MM449836;O=CC1C=CC(=O)N1;UVDBOLCQAHAYKH-UHFFFAOYSA-N;111.1;-0.76;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP2_SP2";;;;;;;-1.34;;-9.64;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM449837;MM449837;Cc1c2c(coc1=O)CC2;RYYBXMHAWPURQH-UHFFFAOYSA-N;136.15;1.05;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC4_SNa";;;;;;;2.2;;0.34;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM449838;MM449838;C=NOCCCC#CC=O;YJGHOYWHYHMDQW-UHFFFAOYSA-N;139.15;0.6;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_C5";;;;;;;1.64;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM449839;MM449839;C=NOCCCC#CC#N;RMHMRZCNWLUPBI-UHFFFAOYSA-N;136.15;0.93;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_N0";;;;;;;1.17;;-1.18;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM449840;MM449840;Cc1c2c(coc1=O)NC2;QJABSEZPKXOUKW-UHFFFAOYSA-N;137.14;0.87;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP1_SNa";;;;;;;0.04;;-2.54;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM449841;MM449841;C=CC#CCCNCC=C;LDMOJFUKBLJMMM-UHFFFAOYSA-N;135.21;1.34;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_C4";;;;;;;2.2;;-1.33;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM449842;MM449842;Cc1c2c(coc1=O)OC2;PDDKGRXLRPQXKZ-UHFFFAOYSA-N;138.12;0.84;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNa_SNa";;;;;;;0.87;;-2.22;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM449843;MM449843;C=CCNCCC#CC#N;NINMSPAPXKKFHV-UHFFFAOYSA-N;134.18;0.68;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1_N0";;;;;;;0.34;;-3.2;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM449844;MM449844;C#CC1C2CC(=O)N(N)C12;MBNOARNDDJICOA-UHFFFAOYSA-N;136.15;-0.66;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP1_SP2";;;;;;;-1.06;;-3.82;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM449845;MM449845;N#CC#CCCNCC#N;MXCBOSUHUYIHCG-UHFFFAOYSA-N;133.15;0.02;;;;;DOPC;MDCG;27;0;"MARTINI bead: P3_N0";;;;;;;-0.8;;-2.99;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM449846;MM449846;C#CC1C2CC(F)C(=C)C12;DWAYJZKGYLBXQE-UHFFFAOYSA-N;136.17;1.78;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC5_SN0";;;;;;;1.94;;0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM449847;MM449847;N#CC#CCCNNC=N;XHCMRIGQNYNUDM-UHFFFAOYSA-N;136.16;-0.4;;;;;DOPC;MDCG;27;1;"MARTINI bead: P4_N0";;;;;;;-0.88;;-6.55;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM449848;MM449848;C#CC1C2CN(O)C(=N)C12;AGICQRNNJRSHRP-UHFFFAOYSA-N;136.15;0.16;;;;;DOPC;MDCG;27;1;"MARTINI bead: SP2_SP1";;;;;;;-1.06;;-5.1;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM449849;MM449849;C=CC#CCCOCC=C;YILZNICMZQFXOF-UHFFFAOYSA-N;136.19;1.77;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_C4";;;;;;;2.2;;0.34;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM449850;MM449850;C=C1CC2C(C1=C)N2C=N;JRCMQQBDALDTBX-UHFFFAOYSA-N;134.18;1.16;;;;;DOPC;MDCG;27;1;"MARTINI bead: SC4_SP2";;;;;;;1.09;;-2.38;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM449851;MM449851;C=CCOCCC#CC=O;VGAMXUQCXUBCIA-UHFFFAOYSA-N;138.17;0.78;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_C5";;;;;;;1.64;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM449852;MM449852;C=NN1C2CC(=C)C(=C)C21;IFRCPEGVUOOCCW-UHFFFAOYSA-N;134.18;1.17;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP2_SC4";;;;;;;1.09;;-0.38;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM449853;MM449853;C#CC1C2CC(=O)C(=C)C12;CSFSQXSCSDVUCZ-UHFFFAOYSA-N;132.16;1.01;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC5_SNa";;;;;;;1.64;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM449854;MM449854;C=CCOCCC#CC#N;WADIXFQJTCWCEO-UHFFFAOYSA-N;135.17;1.11;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_N0";;;;;;;1.17;;-1.18;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM449855;MM449855;C=CC#CCCOCC=O;MFBIWTUFAMYEOX-UHFFFAOYSA-N;138.17;0.78;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4_P1";;;;;;;1.37;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM449856;MM449856;C#CC1C2CC(=O)C(=O)C12;LJNIIVAVXOQDTE-UHFFFAOYSA-N;134.13;0.02;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNa_SC5";;;;;;;1.64;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM449857;MM449857;C=CC#CCCOCC#N;APEWNEMPOOOFCO-UHFFFAOYSA-N;135.17;1.11;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4_P1";;;;;;;1.37;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM449858;MM449858;CC1=C(C)C2C(C#N)C2C1;UNKHXJQFJVKMII-UHFFFAOYSA-N;133.19;2.11;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC3_SN0";;;;;;;2.87;;0.37;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM449859;MM449859;O=CC#CCCOCC=O;ZCNUUTQWHQFVJF-UHFFFAOYSA-N;140.14;-0.21;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_C5";;;;;;;0.81;;-0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM449860;MM449860;C#CC1C2CC(F)=C(C)C12;VWCSKBKSQBKVSP-UHFFFAOYSA-N;136.17;2.13;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC4_SN0";;;;;;;2.5;;0.44;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM449861;MM449861;N#CCOCCC#CC=O;GEWFTDYXYFKXHU-UHFFFAOYSA-N;137.14;0.12;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_P1";;;;;;;0.81;;-0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM449862;MM449862;Cn1c2co[nH]c-2cc1=O;DRWZGAMZKOJWGU-UHFFFAOYSA-N;138.13;0.41;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP2_SNd";;;;;;;-0.24;;-3.16;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM449863;MM449863;N=CNOCCC#CC=O;VLFKJWDGEINGTO-UHFFFAOYSA-N;140.14;-0.29;;;;;DOPC;MDCG;27;1;"MARTINI bead: P3_C5";;;;;;;-0.33;;-3.79;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM449864;MM449864;Nn1c2co[nH]c-2cc1=O;MPDHBPDADJGUME-UHFFFAOYSA-N;139.11;-0.41;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP2_SNd";;;;;;;-0.24;;-3.16;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM449865;MM449865;C=CC#CCCONC=O;VFHJHFLPUNUOAH-UHFFFAOYSA-N;139.15;0.24;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4_P2";;;;;;;1.09;;-0.37;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM449866;MM449866;OC=C1N=NC(=NO)O1;IQQRJBQZHKXGLX-UHFFFAOYSA-N;129.08;0.57;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP1_SP1";;;;;;;-0.79;;-9.09;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM449867;MM449867;O=CC#CCCONC=O;WQXMKDYBNUGREF-UHFFFAOYSA-N;141.13;-0.74;;;;;DOPC;MDCG;27;0;"MARTINI bead: P4_C5";;;;;;;-0.41;;-2.78;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM449868;MM449868;C#CC1CN(NC)C1=O;APCNNTDZIGWUHQ-UHFFFAOYSA-N;124.14;-0.79;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP2_SP2";;;;;;;-1.34;;-4.31;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM449869;MM449869;N#CC#CCCONC=O;OSKYDMCIESXWAT-UHFFFAOYSA-N;138.13;-0.42;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_N0";;;;;;;0.06;;-2.21;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM449870;MM449870;C#CCC1CN(N)C1=O;XQEKIAHHBNZUSX-UHFFFAOYSA-N;124.14;-0.66;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP2_SP1";;;;;;;-1.06;;-3.82;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM449871;MM449871;N#CC#CCNCCC#N;AELNACVBJLXKDT-UHFFFAOYSA-N;133.15;0.02;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_P2";;;;;;;-1.06;;-3.82;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM449872;MM449872;C=c1cc2c(n1C)=NOC2;VPUBGAOPXHXHMI-UHFFFAOYSA-N;136.15;-0.5;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNa_SP1";;;;;;;0.04;;-2.54;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM449873;MM449873;C=CC#CCOCCC=C;DMQJWICIJZRYSK-UHFFFAOYSA-N;136.19;1.77;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_C4";;;;;;;2.2;;0.34;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM449874;MM449874;C=c1cc2c(n1N)=NOC2;DGDIOPKEHIPBOF-UHFFFAOYSA-N;137.14;-1.32;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNa_SP1";;;;;;;0.04;;-2.54;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM449875;MM449875;C=CCCOCC#CC=O;JXFPWWITTKSTRV-UHFFFAOYSA-N;138.17;0.78;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_P1";;;;;;;0.81;;-0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM449876;MM449876;C=c1cc2c(n1O)=NOC2;YZHWBAPEDKXWOT-UHFFFAOYSA-N;138.13;-0.8;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNa_SP1";;;;;;;0.04;;-2.54;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM449877;MM449877;C=CCCOCC#CC#N;MWWNZWSPKBRNHY-UHFFFAOYSA-N;135.17;1.11;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_N0";;;;;;;1.17;;-1.18;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM449878;MM449878;Cn1cc2cnnc-2n1C;BXRLMOVQYFBTBZ-UHFFFAOYSA-N;136.16;0.26;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP1_SNa";;;;;;;0.04;;-2.54;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM449879;MM449879;C=CC#CCOCCC=O;PHQWEXCYANMGJN-UHFFFAOYSA-N;138.17;0.78;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4_P2";;;;;;;1.09;;-0.38;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM449880;MM449880;Cn1c2nncc-2cn1N;LTADUQMBPREPLP-UHFFFAOYSA-N;137.15;-0.56;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP1_SNa";;;;;;;0.04;;-2.54;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM449881;MM449881;C=CC#CCOCCC#N;CPMGOSZRCPSCST-UHFFFAOYSA-N;135.17;1.11;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4_P2";;;;;;;1.09;;-0.38;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM449882;MM449882;Cn1c2nncc-2cn1O;YFANWOMZFNXLRQ-UHFFFAOYSA-N;138.13;-0.04;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP1_SNa";;;;;;;0.04;;-2.54;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM449883;MM449883;O=CC#CCOCCC=O;ZJFVUVZFKABKOL-UHFFFAOYSA-N;140.14;-0.21;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_Na";;;;;;;0.87;;-2.22;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM449884;MM449884;Cn1cc2cnnc-2n1N;CMDQFASAKVZESM-UHFFFAOYSA-N;137.15;-0.56;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP1_SP1";;;;;;;-0.79;;-3.13;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM449885;MM449885;N#CCCOCC#CC=O;KFPCUGRMYHVFJI-UHFFFAOYSA-N;137.14;0.12;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_P2";;;;;;;0.54;;-1.09;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM449886;MM449886;Nn1cc2cnnc-2n1N;WHESCCYJEBZTGL-UHFFFAOYSA-N;138.13;-1.39;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP1_SP1";;;;;;;-0.79;;-3.13;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM449887;MM449887;Nn1c2nncc-2cn1O;KILRJONDXWKMIQ-UHFFFAOYSA-N;139.12;-0.86;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP1_SP1";;;;;;;-0.79;;-3.13;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM449888;MM449888;C=CC#CCOCOC=C;QQTFDVGVJAPXBG-UHFFFAOYSA-N;138.17;1.31;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_C4";;;;;;;1.37;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM449889;MM449889;Cn1cc2cnnc-2n1O;VSNZZKIDFNATTH-UHFFFAOYSA-N;138.13;-0.04;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP1_SP1";;;;;;;-0.79;;-3.13;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM449890;MM449890;C=COCOCC#CC#N;KRMFMNWLFNYBLC-UHFFFAOYSA-N;137.14;0.65;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_N0";;;;;;;1.17;;-1.18;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM449891;MM449891;Nn1cc2cnnc-2n1O;OXOILTBQBAYXQR-UHFFFAOYSA-N;139.12;-0.86;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP1_SP1";;;;;;;-0.79;;-3.13;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM449892;MM449892;C=CC#CCOCOC=O;KZZKNNDUWNXKBD-UHFFFAOYSA-N;140.14;0.32;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4_P2";;;;;;;1.09;;-0.38;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM449893;MM449893;Cn1cc2ncnc-2n1C;BWILKNUFUFPQMF-UHFFFAOYSA-N;136.16;0.26;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP1_SNa";;;;;;;0.04;;-2.54;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM449894;MM449894;C=CC#CCOCON=C;HHRDLVGJMVJAOP-UHFFFAOYSA-N;139.15;0.78;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_P1";;;;;;;0.81;;-0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM449895;MM449895;C=NOCOCC#CC#N;AORVRGIAIINUNX-UHFFFAOYSA-N;138.13;0.12;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_N0";;;;;;;0.34;;-1.53;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM449896;MM449896;Cn1c2ncnc-2cn1N;QARIVDWINQXIOO-UHFFFAOYSA-N;137.15;-0.56;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP1_SNa";;;;;;;0.04;;-2.54;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM449897;MM449897;C#CC#CCCCCC=C;ZFYQMYQLRUKRHY-UHFFFAOYSA-N;132.21;2.37;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1_C4";;;;;;;4.24;;0.42;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM449898;MM449898;Cn1c2ncnc-2cn1O;DYHLYWWZPXDLTP-UHFFFAOYSA-N;138.13;-0.04;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP1_SNa";;;;;;;0.04;;-2.54;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM449899;MM449899;Cn1cc2ncnc-2n1N;CWCSGNJHPDVMBL-UHFFFAOYSA-N;137.15;-0.56;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP1_SP1";;;;;;;-0.79;;-3.13;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM449900;MM449900;C#CC#CCCCCC#N;YFXIPGSXYWMQFC-UHFFFAOYSA-N;131.18;1.71;;;;;DOPC;MDCG;27;0;"MARTINI bead: C2_P1";;;;;;;2;;0.29;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM449901;MM449901;Nn1cc2ncnc-2n1N;QAVYOYPAMVKHEY-UHFFFAOYSA-N;138.13;-1.39;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP1_SP1";;;;;;;-0.79;;-3.13;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM449902;MM449902;C#CC#CCCCNC=N;HCGOXRAVMZVYOO-UHFFFAOYSA-N;134.18;0.6;;;;;DOPC;MDCG;27;1;"MARTINI bead: P2_C4";;;;;;;1.09;;-4.74;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM449903;MM449903;Nn1c2ncnc-2cn1O;MEMJLONOHBQIFP-UHFFFAOYSA-N;139.12;-0.86;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP1_SP1";;;;;;;-0.79;;-3.13;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM449904;MM449904;C#CC#CCCCNC=O;RCWDBNZJLVNHLO-UHFFFAOYSA-N;135.17;0.15;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_C4";;;;;;;1.37;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM449905;MM449905;Cn1cc2ncnc-2n1O;NDEXEBDCMTUCQQ-UHFFFAOYSA-N;138.13;-0.04;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP1_SP1";;;;;;;-0.79;;-3.13;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM449906;MM449906;C#CC#CCCCNN=C;XLKZMBOEARYOGY-UHFFFAOYSA-N;134.18;0.61;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_C2";;;;;;;1.72;;0.27;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM449907;MM449907;Nn1cc2ncnc-2n1O;OHJHVZPPOUAHQH-UHFFFAOYSA-N;139.12;-0.86;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP1_SP1";;;;;;;-0.79;;-3.13;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM449908;MM449908;C#CC#CCCCOC=C;ILCAEEMHRQRWQQ-UHFFFAOYSA-N;134.18;1.56;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_C4";;;;;;;2.97;;0.45;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM449909;MM449909;Cn1nc2cnnc-2n1C;CYSRRFGRTFSIKZ-UHFFFAOYSA-N;137.15;-0.35;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP1_SP1";;;;;;;-0.79;;-3.13;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM449910;MM449910;C#CC#CCCCON=C;YEPQXSXQSXZPLW-UHFFFAOYSA-N;135.17;1.04;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_C4";;;;;;;2.2;;0.34;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM449911;MM449911;Cn1nc2cnnc-2n1N;LKWODVUDAULXKW-UHFFFAOYSA-N;138.13;-1.17;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP1_SP2";;;;;;;-1.06;;-3.82;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM449912;MM449912;C#CC#CCCNCC=C;HCGDLDNJXOHGCT-UHFFFAOYSA-N;133.19;0.79;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_C4";;;;;;;2.2;;-1.24;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM449913;MM449913;C#CC#CCCNCC#N;IYTAEXBHZGQJIO-UHFFFAOYSA-N;132.17;0.13;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4_P2";;;;;;;1.09;;-0.37;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM449914;MM449914;Cn1nc2ncnc-2n1C;KIXLVNAVHYRENJ-UHFFFAOYSA-N;137.15;-0.35;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP1_SP1";;;;;;;-0.79;;-3.13;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM449915;MM449915;C#CC#CCCOCC=C;CNNYWKYPZRYDCI-UHFFFAOYSA-N;134.18;1.22;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_C4";;;;;;;2.2;;0.34;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM449916;MM449916;Cn1nc2ncnc-2n1N;SEKXIHHRLGYACE-UHFFFAOYSA-N;138.13;-1.17;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP1_SP2";;;;;;;-1.06;;-3.82;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM449917;MM449917;C=c1cc2c(n1C)=NN=C2;CTOPGNDBAAPENO-UHFFFAOYSA-N;133.15;-0.6;;;;;DOPC;MDCG;27;0;"MARTINI bead: SN0_SP1";;;;;;;0.34;;-1.53;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM449918;MM449918;C#CC#CCCOCC=O;BXWPWPMERQAMPU-UHFFFAOYSA-N;136.15;0.23;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_C4";;;;;;;1.37;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM449919;MM449919;C=c1cc2c(n1N)=NN=C2;BHUCDMUDXMBZQA-UHFFFAOYSA-N;134.14;-1.42;;;;;DOPC;MDCG;27;0;"MARTINI bead: SN0_SP1";;;;;;;0.34;;-1.53;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM449920;MM449920;C#CC#CCCOCC#N;IOSISDCDQLZLAA-UHFFFAOYSA-N;133.15;0.55;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4_P1";;;;;;;1.37;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM449921;MM449921;C=c1cc2c(n1O)=NN=C2;QQKJGAZEHVCTEZ-UHFFFAOYSA-N;135.13;-0.9;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNda_SN0";;;;;;;1.17;;-1.13;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM449922;MM449922;C#CC#CCCONC=N;HWLBRXMERXMQSS-UHFFFAOYSA-N;136.15;0.14;;;;;DOPC;MDCG;27;1;"MARTINI bead: P3_C4";;;;;;;0.23;;-2.81;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM449923;MM449923;O=c1cc2cncc-2c1=O;VXDJBQVNMSPEER-UHFFFAOYSA-N;133.11;-0.22;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNa_SNa";;;;;;;0.87;;-2.22;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM449924;MM449924;C#CC#CCOCCC=C;KGOVWPPECVASGE-UHFFFAOYSA-N;134.18;1.22;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4_C5";;;;;;;2.97;;0.45;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM449925;MM449925;O=c1cc2cnnc-2c1=O;CQYJXZAZUCQJAR-UHFFFAOYSA-N;134.09;-0.82;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNa_SP1";;;;;;;0.04;;-2.54;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM449926;MM449926;C#CC#CCOCCC#N;GQAQETGEPYVSBN-UHFFFAOYSA-N;133.15;0.55;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4_P2";;;;;;;1.09;;-0.38;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM449927;MM449927;C#CC#CCOCOC=C;FMOSPJYXXOEPNK-UHFFFAOYSA-N;136.15;0.76;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_C4";;;;;;;1.37;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM449928;MM449928;ON=c1nnoc(=NO)[nH]1;UAWBZMMASSCIMA-UHFFFAOYSA-N;145.08;-2.02;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP3_SP3";;;;;;;-3.07;;-10.29;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM449929;MM449929;C#CC#CCOCOC=O;CBOMTXAUEJQSGQ-UHFFFAOYSA-N;138.12;-0.23;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_C4";;;;;;;1.09;;-0.38;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM449930;MM449930;C=c1oc2c(c1C)COC=2;ZCBBLBMLGNEBJH-UHFFFAOYSA-N;136.15;0.27;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC4_SNa";;;;;;;2.2;;0.34;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM449931;MM449931;C#CC#CCOCON=C;GLCJWHYGORPXJT-UHFFFAOYSA-N;137.14;0.23;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_C5";;;;;;;0.81;;-0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM449932;MM449932;C=c1oc2c(c1F)COC=2;ZNEATOHSKNPXHG-UHFFFAOYSA-N;140.11;0.1;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC5_SNa";;;;;;;1.64;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM449933;MM449933;C#CCCCCC#CCC;DNDAIHIWVJRVCJ-UHFFFAOYSA-N;134.22;2.59;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_C1";;;;;;;3.68;;0.46;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM449934;MM449934;C=c1oc2c(c1C)CON=2;PCLBOXVWWDHYNK-UHFFFAOYSA-N;137.14;0.06;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC4_SNa";;;;;;;2.2;;0.34;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM449935;MM449935;C#CCCCCC#CCN;QCJGXAGEVYPELY-UHFFFAOYSA-N;135.21;1.14;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_C3";;;;;;;2.57;;-0.27;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM449936;MM449936;C=c1oc2c(c1N)CON=2;JGMAUIXEVWYKQM-UHFFFAOYSA-N;138.13;-0.66;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNd_SNa";;;;;;;0.87;;-1.88;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM449937;MM449937;C#CCCCCC#CCF;BSZFZOYRWYNTOA-UHFFFAOYSA-N;138.19;2.15;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_C1";;;;;;;2.91;;0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM449938;MM449938;C=c1oc2c(c1F)CON=2;MWSLQNVAWKWAKG-UHFFFAOYSA-N;141.1;-0.11;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC5_SNa";;;;;;;1.64;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM449939;MM449939;C=c1oc2c(c1C)OCC=2;YXCLMVDVCLPHOD-UHFFFAOYSA-N;136.15;0.17;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNa_SC4";;;;;;;2.2;;0.34;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM449940;MM449940;C#CCNCCC#CCC;LCLPWOWGLXOGTP-UHFFFAOYSA-N;135.21;1.01;;;;;DOPC;MDCG;27;1;"MARTINI bead: C3_P2";;;;;;;1.46;;-1.47;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM449941;MM449941;C#CCOCCC#CCC;VLYATHCOCIIJMK-UHFFFAOYSA-N;136.19;1.44;;;;;DOPC;MDCG;27;0;"MARTINI bead: C3_Na";;;;;;;2.57;;0.45;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM449942;MM449942;C=c1oc2c(c1F)OCC=2;OGNCEQFVNOVGBU-UHFFFAOYSA-N;140.11;;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNa_SC4";;;;;;;2.2;;0.34;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM449943;MM449943;Nc1c2cnnc-2[nH]n1O;PKOHHFSYZMLFJB-UHFFFAOYSA-N;139.12;-0.47;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP2_SNda";;;;;;;-0.24;;-3.31;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM449944;MM449944;C#CCOCCC#CCN;HECVWCLCTDNOJX-UHFFFAOYSA-N;137.18;-0.01;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_Na";;;;;;;0.87;;-3.38;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM449945;MM449945;C=CC1CC(C#N)=NN1;NTTHESVCHNEWHV-UHFFFAOYSA-N;121.14;0.41;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNd_SP1";;;;;;;0.04;;-2.63;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM449946;MM449946;C#CCOCCC#CCO;UXDQSYQSKKDKSP-UHFFFAOYSA-N;138.17;0.02;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda_Na";;;;;;;0.87;;-1.99;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM449947;MM449947;C=CN(N)C(=O)C=C(C)N;RGKOTNRUTDGSRT-UHFFFAOYSA-N;141.17;-0.31;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nd_P2";;;;;;;-0.24;;-3.16;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM449948;MM449948;C#CCOCCC#CCF;YCSKUGPBBCYEAJ-UHFFFAOYSA-N;140.16;1;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_Na";;;;;;;0.87;;-2.22;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM449949;MM449949;Nc1c2ncnc-2[nH]n1O;ZQGDVICUAKBBBH-UHFFFAOYSA-N;139.12;-0.47;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP1_SP2";;;;;;;-1.06;;-3.82;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM449950;MM449950;C#CCCNCC#CCC;CCDRAQARQPEJEJ-UHFFFAOYSA-N;135.21;1.01;;;;;DOPC;MDCG;27;1;"MARTINI bead: C3_Nd";;;;;;;2.57;;-0.19;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM449951;MM449951;C=c1oc2c(c1C)C=CC=2;ZJRCPYSCXHMWAP-UHFFFAOYSA-N;132.16;0.81;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC4_SC4";;;;;;;3.53;;0.53;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM449952;MM449952;C#CCCNCC#CCN;AWCIOWCYELRSEC-UHFFFAOYSA-N;136.2;-0.44;;;;;DOPC;MDCG;27;1;"MARTINI bead: P2_C5";;;;;;;0.54;;-2.8;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM449953;MM449953;C=c1oc2c(c1F)C=CC=2;GDVGPPVXUHNLOZ-UHFFFAOYSA-N;136.13;0.64;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC5_SC4";;;;;;;2.97;;0.45;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM449954;MM449954;C#CCCOCC#CCC;XWDWNPGUKBJVCJ-UHFFFAOYSA-N;136.19;1.44;;;;;DOPC;MDCG;27;0;"MARTINI bead: C3_Na";;;;;;;2.57;;0.45;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM449955;MM449955;C=c1oc2c(c1F)C=NN=2;TZBZABOUOISXRO-UHFFFAOYSA-N;138.1;-0.2;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC5_SN0";;;;;;;1.94;;0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM449956;MM449956;C#CCCOCC#CCN;FTLYJDHHWOSBKI-UHFFFAOYSA-N;137.18;-0.01;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_Na";;;;;;;0.87;;-3.3;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM449957;MM449957;N=C(N)C(=O)C(N)=CC=O;ZKYMRPZNXXYVBK-UHFFFAOYSA-N;141.13;-1.47;;;;;DOPC;MDCG;27;0;"MARTINI bead: P4_Na";;;;;;;-1.19;;-4.76;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM449958;MM449958;C#CCCOCC#CCO;VBIAUIYZIWOJDX-UHFFFAOYSA-N;138.17;0.02;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda_Na";;;;;;;0.87;;-1.99;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM449959;MM449959;N=C(CF)NOC(=O)CF;KUOBRKSZZTUHGK-UHFFFAOYSA-N;152.1;-0.05;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_Na";;;;;;;-0.24;;-3.24;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM449960;MM449960;C#CCCOCC#CCF;OAOQLSXBBRFQHM-UHFFFAOYSA-N;140.16;1;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_Na";;;;;;;0.87;;-2.22;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM449961;MM449961;C#CC1(C)CN=C(OC)N1;HVLSIKBNXRANIA-UHFFFAOYSA-N;138.17;-0.02;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP1_SP1";;;;;;;-0.79;;-3.13;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM449962;MM449962;C#CCCCCC#CC=C;SDZQHZOWQXKBPI-UHFFFAOYSA-N;132.21;2.37;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4_C3";;;;;;;3.9;;0.47;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM449963;MM449963;Cc1c2nnnc-2[nH]n1C;YAWREFKVLDPRJD-UHFFFAOYSA-N;137.15;-0.05;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNd_SP1";;;;;;;0.04;;-2.63;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM449964;MM449964;C#CCCCCC#CC#N;FGDCIEJCZMFFQS-UHFFFAOYSA-N;131.18;1.71;;;;;DOPC;MDCG;27;0;"MARTINI bead: C3_N0";;;;;;;2.87;;0.37;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM449965;MM449965;C#CC1=NNC(C)(C#C)C1;ZKFLPUPENLFIDN-UHFFFAOYSA-N;132.17;0.36;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNd_SP1";;;;;;;0.04;;-2.63;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM449966;MM449966;C#CCNCCC#CC#N;MRUDIFVLVXBYMN-UHFFFAOYSA-N;132.17;0.13;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_N0";;;;;;;1.17;;-2.17;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM449967;MM449967;Cc1c2nnnc-2[nH]n1O;UIMQWNVQLXNACB-UHFFFAOYSA-N;139.12;-0.35;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP1_SNda";;;;;;;0.04;;-2.73;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM449968;MM449968;C#CCOCCC#CC=C;AUVNDEUUMDJVBC-UHFFFAOYSA-N;134.18;1.22;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4_Na";;;;;;;2.2;;0.34;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM449969;MM449969;Cn1[nH]c2nnnc-2c1N;OXUJJBDHFSISPF-UHFFFAOYSA-N;138.13;-0.77;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP1_SP1";;;;;;;-0.79;;-3.13;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM449970;MM449970;C#CCOCCC#CC=O;ZPCXLHXZJNHECU-UHFFFAOYSA-N;136.15;0.23;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_Na";;;;;;;1.64;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM449971;MM449971;N#CC(=N)NC1(C=O)CC1;DRTIHEIBQUUHCU-UHFFFAOYSA-N;137.14;-0.19;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_SNa";;;;;;;-0.24;;-3.24;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM449972;MM449972;C#CCOCCC#CC#N;CPSSMVMFYLVEBI-UHFFFAOYSA-N;133.15;0.55;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_N0";;;;;;;1.17;;-1.18;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM449973;MM449973;Nc1c2nnnc-2[nH]n1O;RCHZLRJDQNNBDF-UHFFFAOYSA-N;140.11;-1.07;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP1_SP2";;;;;;;-1.06;;-3.82;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM449974;MM449974;C#CCCNCC#CC=C;HIWBZHFREBYTQR-UHFFFAOYSA-N;133.19;0.79;;;;;DOPC;MDCG;27;1;"MARTINI bead: C4_Nd";;;;;;;2.2;;-0.79;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM449975;MM449975;CN1C(=O)C=CC1C=O;MMAYOKITFCGCCM-UHFFFAOYSA-N;125.13;-0.42;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP2_SP1";;;;;;;-1.06;;-9.1;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM449976;MM449976;C#CCCOCC#CC=C;JJQZPYFYRTUHPE-UHFFFAOYSA-N;134.18;1.22;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4_Na";;;;;;;2.2;;0.34;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM449977;MM449977;O=c1nn[nH]nc1[N+](=O)[O-];RGNUICNUKCDZKJ-UHFFFAOYSA-N;143.06;-1.53;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP2_SP2";;;;;;;-1.34;;-9.64;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM449978;MM449978;C#CCCOCC#CC=O;YUTTZQGOXREQMY-UHFFFAOYSA-N;136.15;0.23;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_Na";;;;;;;1.64;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM449979;MM449979;Cn1[nH]c2nnnc-2c1F;FDURCEUXGAVDBO-UHFFFAOYSA-N;141.11;-0.22;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP1_SNda";;;;;;;0.04;;-2.73;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM449980;MM449980;C#CCCOCC#CC#N;FMHACFXEWUDBJJ-UHFFFAOYSA-N;133.15;0.55;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_N0";;;;;;;1.17;;-1.18;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM449981;MM449981;Nn1[nH]c2nnnc-2c1F;WROBZTJFGHDUCZ-UHFFFAOYSA-N;142.1;-1.04;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP1_SNda";;;;;;;0.04;;-2.73;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM449982;MM449982;C#CC#CCCCCC#C;UZLZVUJPMQHLLI-UHFFFAOYSA-N;130.19;1.82;;;;;DOPC;MDCG;27;0;"MARTINI bead: C3_C4";;;;;;;3.9;;0.47;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM449983;MM449983;Cc1c2o[nH]cc-2[nH]c1=O;XWIFTIQOLPPYSI-UHFFFAOYSA-N;138.13;0.71;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP1_SNd";;;;;;;0.04;;-2.63;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM449984;MM449984;C#CC#CCCNCC#C;OALZXXLVYSWSQI-UHFFFAOYSA-N;131.18;0.24;;;;;DOPC;MDCG;27;1;"MARTINI bead: P2_C4";;;;;;;1.09;;-1.61;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM449985;MM449985;C#CC#CCCOCC#C;IOUXFNNUSGVCPJ-UHFFFAOYSA-N;132.16;0.66;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_C4";;;;;;;2.2;;0.34;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM449986;MM449986;Nc1c2o[nH]cc-2[nH]c1=O;DVVZYTRZDJSFIM-UHFFFAOYSA-N;139.11;-0.02;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP3_SNd";;;;;;;-1.1;;-3.93;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM449987;MM449987;CCn1nc2nncc-2[nH]1;GQWGVNFHULWJTE-UHFFFAOYSA-N;137.15;0.13;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNda_SP1";;;;;;;0.04;;-2.73;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM449988;MM449988;C#CC#CCNCCC#C;XQWDTNUCLRDILT-UHFFFAOYSA-N;131.18;0.24;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_C4";;;;;;;2.2;;-0.53;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM449989;MM449989;C#CC#CCOCCC#C;PVAXCYMEPMZSAE-UHFFFAOYSA-N;132.16;0.66;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_C4";;;;;;;2.2;;0.34;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM449990;MM449990;CCn1nc2ncnc-2[nH]1;BSSYYEJGGPZAGF-UHFFFAOYSA-N;137.15;0.13;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNda_SP1";;;;;;;0.04;;-2.73;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM449991;MM449991;C=Cn1nc2nncc-2[nH]1;JWUWXLLOJVQKQC-UHFFFAOYSA-N;135.13;0.21;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNda_SP1";;;;;;;0.04;;-2.73;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM449992;MM449992;CC=CCCCC#CCC;DPUZTTMTCYBSCK-UHFFFAOYSA-N;136.24;3.15;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1_C2";;;;;;;4.87;;0.53;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM449993;MM449993;C=CC(=O)C(=O)C(N)=NC;USXAICQWIKOUNK-UHFFFAOYSA-N;140.14;-0.7;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_Na";;;;;;;-0.24;;-3.24;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM449994;MM449994;CC=CCCCC#CCN;AZQXFFUJGYFREP-UHFFFAOYSA-N;137.23;1.69;;;;;DOPC;MDCG;27;1;"MARTINI bead: C1_Nd";;;;;;;2.91;;0.38;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM449995;MM449995;CC=CCCCC#CCO;ITXQGAGSIFDFKH-UHFFFAOYSA-N;138.21;1.73;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1_P2";;;;;;;1.8;;0.4;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM449996;MM449996;C=Cn1nc2ncnc-2[nH]1;SKQYUQGCKREANO-UHFFFAOYSA-N;135.13;0.21;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNda_SP1";;;;;;;0.04;;-2.73;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM449997;MM449997;CCC#CCCCC=CF;QSXLZTPRDWTIFO-UHFFFAOYSA-N;140.2;3.05;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1_C4";;;;;;;4.24;;0.42;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM449998;MM449998;C#CCCC(=O)N(N)C=O;KLDLFHSMSAUUEH-UHFFFAOYSA-N;140.14;-0.74;;;;;DOPC;MDCG;27;0;"MARTINI bead: P3_C5";;;;;;;-0.33;;-2.01;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM449999;MM449999;NCC#CCCCC=CF;YTUOUZAZKYXVSW-UHFFFAOYSA-N;141.19;1.6;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_C3";;;;;;;2.57;;-0.27;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM450000;MM450000;O=Cn1nc2ncnc-2[nH]1;HVJLMDOAHZVCEF-UHFFFAOYSA-N;137.1;-0.86;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP2_SP1";;;;;;;-1.06;;-3.82;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM450001;MM450001;CCn1cc2nnnc-2[nH]1;ZYOYTOISTMHSRP-UHFFFAOYSA-N;137.15;0.13;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNd_SP1";;;;;;;0.04;;-2.63;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM450002;MM450002;CCC#CCCCC=NO;VTUJTHHPNFDJOK-UHFFFAOYSA-N;139.2;2.03;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1_P1";;;;;;;2.08;;0.48;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM450003;MM450003;CCON=C(C)C(=O)CC;HVPIAQITBXPKHU-UHFFFAOYSA-N;143.19;1.38;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_Na";;;;;;;1.64;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM450004;MM450004;CN=CNCCC#CCN;SMCRXZWYJWWJCZ-UHFFFAOYSA-N;139.2;-0.41;;;;;DOPC;MDCG;27;1;"MARTINI bead: N0_P2";;;;;;;0.06;;-5.75;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM450005;MM450005;COn1cc2nnnc-2[nH]1;GBMOXGJLHJHXNY-UHFFFAOYSA-N;139.12;-0.84;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNda_SP1";;;;;;;0.04;;-2.73;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM450006;MM450006;CCC#CCCN=CNN;GPBYDCFUALRDLZ-UHFFFAOYSA-N;139.2;0.28;;;;;DOPC;MDCG;27;1;"MARTINI bead: C3_P3";;;;;;;0.6;;-2.61;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM450007;MM450007;CCn1nc2nccc-2[nH]1;PPFBRZWASFPGMS-UHFFFAOYSA-N;136.16;0.73;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNda_SNa";;;;;;;0.87;;-1.99;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM450008;MM450008;NCC#CCCN=CNO;OKTRGAKBVBVOPA-UHFFFAOYSA-N;141.17;-0.65;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_P2";;;;;;;-0.24;;-4.71;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM450009;MM450009;CCn1nc2nnnc-2[nH]1;URDIPYOIKFUXEZ-UHFFFAOYSA-N;138.13;-0.48;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNda_SP1";;;;;;;0.04;;-2.73;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM450010;MM450010;CN=CNN=CC=C(C)C;UTBXXWHXWKUXTG-UHFFFAOYSA-N;139.2;1.19;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_C4";;;;;;;1.37;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM450011;MM450011;C=Cn1cc2nnnc-2[nH]1;PDMKPDROSJPRDT-UHFFFAOYSA-N;135.13;0.21;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNd_SP1";;;;;;;0.04;;-2.63;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM450012;MM450012;CC=NNCCC#CCN;WWMSTLJKSZTGEW-UHFFFAOYSA-N;139.2;-0.07;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_Nd";;;;;;;0.87;;-3.61;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM450013;MM450013;CC=NNCCC#CCF;ABDPQMDJQDIYSA-UHFFFAOYSA-N;142.18;0.94;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nd_Na";;;;;;;0.87;;-1.88;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM450014;MM450014;C=Cn1nc2nccc-2[nH]1;FBJMIUJNCZRUES-UHFFFAOYSA-N;134.14;0.81;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNda_SNa";;;;;;;0.87;;-1.99;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM450015;MM450015;CC=COCCC#CCC;FWAWZGQLJZUMGZ-UHFFFAOYSA-N;138.21;2.34;;;;;DOPC;MDCG;27;0;"MARTINI bead: C3_C5";;;;;;;3.34;;0.48;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM450016;MM450016;C=C(C#N)C(C)=NNCC;JPBVJPCYHKCPOC-UHFFFAOYSA-N;137.19;1.05;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nd_N0";;;;;;;1.17;;-1.04;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM450017;MM450017;CC=COCCC#CCN;RDLHNDSTKODJBJ-UHFFFAOYSA-N;139.2;0.89;;;;;DOPC;MDCG;27;1;"MARTINI bead: C5_Nd";;;;;;;1.64;;-1.4;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM450018;MM450018;C=Cn1nc2nnnc-2[nH]1;GCUVCPPXZOMXDF-UHFFFAOYSA-N;136.12;-0.4;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNda_SP1";;;;;;;0.04;;-2.73;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM450019;MM450019;CC=COCCC#CCO;KBXZUBKPXGHUGL-UHFFFAOYSA-N;140.18;0.92;;;;;DOPC;MDCG;27;0;"MARTINI bead: C3_P2";;;;;;;1.46;;-0.15;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM450020;MM450020;N=Cn1nc2nnnc-2[nH]1;KFWZZCGEOOZCML-UHFFFAOYSA-N;137.11;-1.04;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP2_SP1";;;;;;;-1.06;;-3.82;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM450021;MM450021;CCC#CCCOC=CF;XZDBQUONQVMZLJ-UHFFFAOYSA-N;142.17;2.25;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1_Na";;;;;;;2.91;;0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM450022;MM450022;N=c1cnn2c(n1)OCC2;NRWILGIXMSNBQK-UHFFFAOYSA-N;138.13;-0.85;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP2_SP3";;;;;;;-2.2;;-5.19;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM450023;MM450023;C=NNC(=N)C=CC#CC;BNNJSDIBVZRPRR-UHFFFAOYSA-N;135.17;0.75;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4_P1";;;;;;;1.37;;-0.04;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM450024;MM450024;N=c1cnn2c(n1)OCO2;NJVFRSCOSKZHGB-UHFFFAOYSA-N;140.1;-1.46;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP2_SP3";;;;;;;-2.2;;-5.19;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM450025;MM450025;C=NOCCC(C)C(C)=O;USJYCKSGYDZLJG-UHFFFAOYSA-N;143.19;1.23;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_Na";;;;;;;0.87;;-2.22;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM450026;MM450026;N=c1cnn2ccoc2n1;XEMPXKIMZUTITL-UHFFFAOYSA-N;136.11;-0.2;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP2_SP3";;;;;;;-2.2;;-5.19;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM450027;MM450027;CCC#CCCOC=NO;NTCGFSVKXKSIOC-UHFFFAOYSA-N;141.17;1.22;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1_P3";;;;;;;0.94;;0.03;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM450028;MM450028;O=c1cnn2ccoc2n1;FKKUTBJTVNHVKH-UHFFFAOYSA-N;137.1;-0.32;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP2_SP5";;;;;;;-2.22;;-6.53;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM450029;MM450029;NCC#CCCOC=NO;TTXDGEBMOGUQSA-UHFFFAOYSA-N;142.16;-0.23;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_P2";;;;;;;-0.24;;-4.54;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM450030;MM450030;N=c1cnn2cnoc2n1;FLTWDXBDFDRCIY-UHFFFAOYSA-N;137.1;-0.8;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP2_SP3";;;;;;;-2.2;;-5.19;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM450031;MM450031;OCC#CCCOC=NO;OWUGDDPGWYXEMQ-UHFFFAOYSA-N;143.14;-0.19;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda_P2";;;;;;;-0.24;;-3.31;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM450032;MM450032;O=c1cnn2cnoc2n1;PDYAISIIUZORRA-UHFFFAOYSA-N;138.09;-0.92;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP2_SP4";;;;;;;-2.29;;-5.95;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM450033;MM450033;ON=COCCC#CCF;QMXMZDRMALRLAJ-UHFFFAOYSA-N;145.13;0.78;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda_Na";;;;;;;0.87;;-1.99;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM450034;MM450034;N=c1cnn2ncoc2n1;WLLHXQBXZZMAOC-UHFFFAOYSA-N;137.1;-0.8;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP2_SP4";;;;;;;-2.29;;-5.95;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM450035;MM450035;CC=NOCCC#CCC;RAYUJIGDBTVUEN-UHFFFAOYSA-N;139.2;1.81;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1_P1";;;;;;;2.08;;0.48;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM450036;MM450036;N=c1cnn2ocnc2n1;FFTYPSQFPRYHRF-UHFFFAOYSA-N;137.1;-0.8;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP2_SP3";;;;;;;-2.2;;-5.19;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM450037;MM450037;CC=NOCCC#CCN;HQTJFCOUEVFCHZ-UHFFFAOYSA-N;140.19;0.36;;;;;DOPC;MDCG;27;1;"MARTINI bead: Na_Nd";;;;;;;0.87;;-3.38;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM450038;MM450038;O=c1cnn2ocnc2n1;BCVKLHGCWUINRR-UHFFFAOYSA-N;138.09;-0.92;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP2_SP4";;;;;;;-2.29;;-5.95;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM450039;MM450039;CC=CCN=C(N)C(C)=O;ZQCVUYQDTSFECM-UHFFFAOYSA-N;140.19;0.51;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nd_Na";;;;;;;0.87;;-1.88;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM450040;MM450040;CC1=CC(=O)N(C)C(=O)C1;BGZKFUWEJKUXSM-UHFFFAOYSA-N;139.15;0.32;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP1_SN0";;;;;;;0.34;;-7.43;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM450041;MM450041;NCC#CCNCC=NO;MBGAEAOHAKFRGS-UHFFFAOYSA-N;141.17;-1;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_P3";;;;;;;-1.1;;-5.22;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM450042;MM450042;Oc1nnn[nH]1;JXBKZAYVMSNKHA-UHFFFAOYSA-N;86.05;-1.09;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP1_SP1";;;;;;;-0.79;;-9.09;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM450043;MM450043;CCC#CCNN=CNC;VAJZYKUJCNCXNN-UHFFFAOYSA-N;139.2;0.15;;;;;DOPC;MDCG;27;1;"MARTINI bead: C3_P3";;;;;;;0.6;;-2.38;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM450044;MM450044;Cn1ccc2nncc-2c1;OXEXCCLWDCHSLL-UHFFFAOYSA-N;133.15;0.92;;;;;DOPC;MDCG;27;0;"MARTINI bead: SN0_SNa";;;;;;;1.17;;-1.18;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM450045;MM450045;C#CC(C)(C#C)NN=CC;YKKGMCQSRYMQAF-UHFFFAOYSA-N;134.18;0.61;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nd_C5";;;;;;;1.64;;0.02;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM450046;MM450046;Nn1ccc2nncc-2c1;ZYVXILKXEUTCNY-UHFFFAOYSA-N;134.14;0.1;;;;;DOPC;MDCG;27;0;"MARTINI bead: SN0_SNda";;;;;;;1.17;;-1.13;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM450047;MM450047;On1ccc2nncc-2c1;XXGLUTOGXXEISA-UHFFFAOYSA-N;135.13;0.62;;;;;DOPC;MDCG;27;0;"MARTINI bead: SN0_SNda";;;;;;;1.17;;-1.13;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM450048;MM450048;C#CC1(C)CC(CF)=NN1;KMOVCZDWIDBXIE-UHFFFAOYSA-N;140.16;0.7;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNd_SP1";;;;;;;0.04;;-2.63;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM450049;MM450049;Cn1cnc2nncc-2c1;KCWWGXSUNQSMMU-UHFFFAOYSA-N;134.14;0.31;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP1_SNa";;;;;;;0.04;;-2.54;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM450050;MM450050;CC=CCOCC#CCC;MUPCQXRXXAHTKG-UHFFFAOYSA-N;138.21;1.99;;;;;DOPC;MDCG;27;0;"MARTINI bead: C3_Na";;;;;;;2.57;;0.45;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM450051;MM450051;CC=CCOCC#CCN;FFNJVIPPMMWSKH-UHFFFAOYSA-N;139.2;0.54;;;;;DOPC;MDCG;27;1;"MARTINI bead: C4_P2";;;;;;;1.09;;-1.76;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM450052;MM450052;Nn1cnc2nncc-2c1;JGTJRHWFYOMRSU-UHFFFAOYSA-N;135.13;-0.51;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP1_SP1";;;;;;;-0.79;;-3.13;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM450053;MM450053;CC=CCOCC#CCO;TWJOANMQEROAIL-UHFFFAOYSA-N;140.18;0.57;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4_P2";;;;;;;1.09;;-0.38;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM450054;MM450054;On1cnc2nncc-2c1;QTFKLJDSVZQJCC-UHFFFAOYSA-N;136.11;0.02;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP1_SNda";;;;;;;0.04;;-2.73;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM450055;MM450055;CC=CCOCC#CCF;FYHSUSAZEQTEJJ-UHFFFAOYSA-N;142.17;1.55;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4_Na";;;;;;;2.2;;0.34;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM450056;MM450056;Cn1ccc2nncc-2n1;WAQPZTYEGQLBQK-UHFFFAOYSA-N;134.14;0.31;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP1_SNa";;;;;;;0.04;;-2.54;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM450057;MM450057;On1ccc2nncc-2n1;DARSWPFVUUTLAI-UHFFFAOYSA-N;136.11;0.02;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP1_SNda";;;;;;;0.04;;-2.73;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM450058;MM450058;CCC#CCOCC=NN;IOVRYHCYCLYFPX-UHFFFAOYSA-N;140.19;0.36;;;;;DOPC;MDCG;27;0;"MARTINI bead: C3_P2";;;;;;;1.46;;-0.15;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM450059;MM450059;Cn1ncc2nncc-2n1;OLBJNAWXUWJKJJ-UHFFFAOYSA-N;135.13;-0.29;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP2_SNa";;;;;;;-0.24;;-3.24;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM450060;MM450060;C#CC(CF)NC(C)C=O;KOUDLQXSDCRXHZ-UHFFFAOYSA-N;143.16;0.13;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_Na";;;;;;;-0.24;;-3.24;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM450061;MM450061;Cn1cnc2ccnc-2n1;FQCZRDZMPBTUGY-UHFFFAOYSA-N;134.14;0.31;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP2_SNa";;;;;;;-0.24;;-3.24;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM450062;MM450062;CCC#CCON=CNN;GSZXFJUKSHLYFH-UHFFFAOYSA-N;141.17;-0.18;;;;;DOPC;MDCG;27;0;"MARTINI bead: C3_P4";;;;;;;0.52;;-1.59;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM450063;MM450063;Cn1ccc2ncnc-2c1;OLLVRSDJSNWLTI-UHFFFAOYSA-N;133.15;0.92;;;;;DOPC;MDCG;27;0;"MARTINI bead: SN0_SNa";;;;;;;1.17;;-1.18;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM450064;MM450064;C#CC(=C)C(=N)NN=CC;VJUGALQHNGKLPY-UHFFFAOYSA-N;135.17;0.75;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nd_Nd";;;;;;;0.87;;-2.11;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM450065;MM450065;Nn1ccc2ncnc-2c1;DEHYUVTWNVALML-UHFFFAOYSA-N;134.14;0.1;;;;;DOPC;MDCG;27;0;"MARTINI bead: SN0_SNda";;;;;;;1.17;;-1.13;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM450066;MM450066;ON=CNOCC#CCF;RYUYYTYLCYEGKG-UHFFFAOYSA-N;146.12;-0.1;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_Nda";;;;;;;0.04;;-2.73;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM450067;MM450067;On1ccc2ncnc-2c1;WNDRTAHLSKIFJM-UHFFFAOYSA-N;135.13;0.62;;;;;DOPC;MDCG;27;0;"MARTINI bead: SN0_SNda";;;;;;;1.17;;-1.13;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM450068;MM450068;C=CC#CCCCC=CC;MFEGGXRYHOUGRD-UHFFFAOYSA-N;134.22;2.92;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1_C4";;;;;;;4.24;;0.42;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM450069;MM450069;CC=CCCCC#CC=O;ATNRLZBZAHJTBE-UHFFFAOYSA-N;136.19;1.94;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1_P1";;;;;;;2.08;;0.48;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM450070;MM450070;Cn1cnc2ncnc-2c1;HOQHWHPHNGJCIX-UHFFFAOYSA-N;134.14;0.31;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP1_SNa";;;;;;;0.04;;-2.54;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM450071;MM450071;Nn1cnc2ncnc-2c1;HKGNBMXRLLPJCT-UHFFFAOYSA-N;135.13;-0.51;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP1_SP1";;;;;;;-0.79;;-3.13;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM450072;MM450072;CC=CCCCC#CC#N;VZGYJFZISSEREC-UHFFFAOYSA-N;133.19;2.26;;;;;DOPC;MDCG;27;0;"MARTINI bead: C2_N0";;;;;;;3.13;;0.3;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM450073;MM450073;C=CC#CCCCC=CF;UHKAFERNHOMUCY-UHFFFAOYSA-N;138.19;2.83;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4_C2";;;;;;;4.16;;0.44;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM450074;MM450074;On1cnc2ncnc-2c1;TUUQUSLFBYMDFB-UHFFFAOYSA-N;136.11;0.02;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP1_SP1";;;;;;;-0.79;;-3.13;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM450075;MM450075;N#CC#CCCCC=CF;SNPGILSVSGMVID-UHFFFAOYSA-N;137.16;2.17;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_C5";;;;;;;2.41;;0.64;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM450076;MM450076;Cn1ccc2ncnc-2n1;BBTZMMDIBBYQJD-UHFFFAOYSA-N;134.14;0.31;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP1_SNa";;;;;;;0.04;;-2.54;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM450077;MM450077;C=CC#CCCCC=NN;UVJXMUYRCGEYPB-UHFFFAOYSA-N;136.2;1.29;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nd_C2";;;;;;;2.83;;0.62;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM450078;MM450078;Nn1ccc2ncnc-2n1;VSHJASYVXVFCOE-UHFFFAOYSA-N;135.13;-0.51;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP1_SNda";;;;;;;0.04;;-2.73;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM450079;MM450079;C=CC#CCCCC=NO;IVKYHEDDYYCXKR-UHFFFAOYSA-N;137.18;1.81;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda_C4";;;;;;;2.2;;0.49;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM450080;MM450080;On1ccc2ncnc-2n1;QBVQPKPJBDREHR-UHFFFAOYSA-N;136.11;0.02;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP1_SNda";;;;;;;0.04;;-2.73;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM450081;MM450081;N#CC#CCCCC=NO;UJTYAOKVBGBJAP-UHFFFAOYSA-N;136.15;1.14;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda_N0";;;;;;;1.17;;-1.13;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM450082;MM450082;Cn1ncc2ncnc-2n1;CFCDTIKUSXMAHP-UHFFFAOYSA-N;135.13;-0.29;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP2_SP1";;;;;;;-1.06;;-3.82;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM450083;MM450083;C=CC#CCCNC=NC;KEVNSLOWQNSQHN-UHFFFAOYSA-N;136.2;0.81;;;;;DOPC;MDCG;27;1;"MARTINI bead: P2_C2";;;;;;;1.72;;-2.82;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM450084;MM450084;Cn1cnc2ncnc-2n1;QLOQXHCRIAFKBJ-UHFFFAOYSA-N;135.13;-0.29;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP2_SP1";;;;;;;-1.06;;-3.82;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM450085;MM450085;CN=CNCCC#CC#N;CSQJBXPVNIWNCS-UHFFFAOYSA-N;135.17;0.15;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1_N0";;;;;;;0.34;;-5.12;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM450086;MM450086;Nn1cnc2ncnc-2n1;VLPWLVVUELPUKZ-UHFFFAOYSA-N;136.12;-1.11;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP2_SP1";;;;;;;-1.06;;-3.82;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM450087;MM450087;C=CC(F)CNN=CCF;MDORAZIQUWLTIW-UHFFFAOYSA-N;148.16;1.06;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda_Na";;;;;;;0.87;;-1.99;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM450088;MM450088;Cn1nnc2ncnc-2n1;UFEGKBCYELFETN-UHFFFAOYSA-N;136.12;-0.9;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP2_SP1";;;;;;;-1.06;;-3.82;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM450089;MM450089;CC=C(C)C=NNC=NC;QIRCMZLMICGTNR-UHFFFAOYSA-N;139.2;1.19;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1_P3";;;;;;;0.94;;0.04;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM450090;MM450090;N=c1[nH]cc2cccc-2[nH]1;GLCSVHYOQZPNQQ-UHFFFAOYSA-N;133.15;0.93;;;;;DOPC;MDCG;27;1;"MARTINI bead: SP1_SNd";;;;;;;0.04;;-6.24;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM450091;MM450091;CC=NNCCC#CC#N;XQFCZCUYAGSDDA-UHFFFAOYSA-N;135.17;0.5;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nd_N0";;;;;;;1.17;;-1.04;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM450092;MM450092;C=NNC1C(C)C1(F)C=O;BZKMTOLEXPITGP-UHFFFAOYSA-N;144.15;0.12;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_SNa";;;;;;;-0.24;;-3.24;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM450093;MM450093;C=CC#CCCOC=CC;HUZDGEVQDXGQEM-UHFFFAOYSA-N;136.19;2.12;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_C4";;;;;;;2.97;;0.45;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM450094;MM450094;NN=CCC(=NO)C(F)F;XAUIGMWTWCHLIN-UHFFFAOYSA-N;151.12;0.42;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_N0";;;;;;;0.34;;-7.43;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM450095;MM450095;CC=COCCC#CC#N;XGKASBYXCLTITH-UHFFFAOYSA-N;135.17;1.45;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_N0";;;;;;;1.94;;0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM450096;MM450096;N=c1[nH]cc2cncc-2[nH]1;FFDNWABXKWCGTR-UHFFFAOYSA-N;134.14;0.32;;;;;DOPC;MDCG;27;1;"MARTINI bead: SP1_SP1";;;;;;;-0.79;;-6.04;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM450097;MM450097;N#CC#CCCOC=CF;YQVYVNCEYQKSQO-UHFFFAOYSA-N;139.13;1.36;;;;;DOPC;MDCG;27;0;"MARTINI bead: N0_N0";;;;;;;1.47;;-0.05;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM450098;MM450098;N=c1[nH]cc2nncc-2[nH]1;KDNNVOYLMBFHDA-UHFFFAOYSA-N;135.13;-0.28;;;;;DOPC;MDCG;27;1;"MARTINI bead: SP1_SP2";;;;;;;-1.06;;-5.62;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM450099;MM450099;C=NN=CC(C#N)COC;SXPFZPBIOOYSJY-UHFFFAOYSA-N;139.16;0.46;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_C5";;;;;;;0.81;;-0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM450100;MM450100;O=c1ccc2co[nH]c-2c1;IULMJJFHOYTZHE-UHFFFAOYSA-N;135.12;1.07;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC5_SNda";;;;;;;1.64;;0.05;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM450101;MM450101;C=CC#CCCOC=NO;JSJJPQZAXMRMGQ-UHFFFAOYSA-N;139.15;1;;;;;DOPC;MDCG;27;0;"MARTINI bead: P3_C2";;;;;;;0.86;;-0.3;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM450102;MM450102;Cc1noc(=O)nc1O;HGSMGFSUINXIHH-UHFFFAOYSA-N;128.09;-0.56;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP2_SP3";;;;;;;-2.2;;-9.64;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM450103;MM450103;C=CC#CCCON=CC;QCWDZDAKYQEAJE-UHFFFAOYSA-N;137.18;1.59;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_C4";;;;;;;2.2;;0.34;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM450104;MM450104;Nn1[nH]c(F)c(O)c1=O;CBSBOHQWEAYPCN-UHFFFAOYSA-N;133.08;-1.27;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNda_SP3";;;;;;;-1.1;;-8.5;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM450105;MM450105;C=NNC(C#N)C=CC=O;USSUNKFDEPQMAC-UHFFFAOYSA-N;137.14;-0.16;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nd_Na";;;;;;;0.87;;-1.88;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM450106;MM450106;O=c1ccc2c[nH]oc-2c1;LHPOTLGAGNITDR-UHFFFAOYSA-N;135.12;1.07;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC5_SNda";;;;;;;1.64;;0.05;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM450107;MM450107;CNC(C(C)=O)=C(N)C#N;CIXBURYRIFMANA-UHFFFAOYSA-N;139.16;-0.51;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_P2";;;;;;;-0.24;;-3.24;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM450108;MM450108;C=c1occ2c1=CCC2C;SLAWUNNCPZOZLC-UHFFFAOYSA-N;134.18;0.98;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC4_SC5";;;;;;;2.97;;0.45;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM450109;MM450109;C=CC#CCNCC=CC;MTKDTTHSJCQOSJ-UHFFFAOYSA-N;135.21;1.34;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_C4";;;;;;;2.2;;-0.5;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM450110;MM450110;C=c1occ2c1=CCC2N;ZKNUEBNOTLJRFN-UHFFFAOYSA-N;135.17;-0.13;;;;;DOPC;MDCG;27;1;"MARTINI bead: SNd_SC5";;;;;;;1.64;;-2.22;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM450111;MM450111;N#CC#CCNNC=NO;RGLQBOUYUFLSIG-UHFFFAOYSA-N;138.13;-0.97;;;;;DOPC;MDCG;27;0;"MARTINI bead: P4_N0";;;;;;;-0.88;;-3.74;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM450112;MM450112;C=c1occ2c1=CCC2O;BGGCZFSVEBEDRV-UHFFFAOYSA-N;136.15;-0.09;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNda_SC5";;;;;;;1.64;;0.05;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM450113;MM450113;C=c1occ2c1=CCC2F;JWOYDVVLXXBOFV-UHFFFAOYSA-N;138.14;0.88;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC5_SC5";;;;;;;2.41;;0.64;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM450114;MM450114;C=CC#CCOCC=CC;KZBSRHPNVGWTJE-UHFFFAOYSA-N;136.19;1.77;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_C4";;;;;;;2.2;;0.34;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM450115;MM450115;C=c1occ2c1=COC2C;JJCFSMBRKHDTLK-UHFFFAOYSA-N;136.15;0.52;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNa_SN0";;;;;;;1.17;;-1.18;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM450116;MM450116;CC=CCOCC#CC=O;XISXNCHTQOAWGI-UHFFFAOYSA-N;138.17;0.78;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4_P1";;;;;;;1.37;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM450117;MM450117;C=c1occ2c1=NNC2C;KRUPYMZAPVEZHN-UHFFFAOYSA-N;136.15;-0.11;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP1_SP1";;;;;;;-0.79;;-3.13;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM450118;MM450118;CC=CCOCC#CC#N;VKNGQWKGZBBSHH-UHFFFAOYSA-N;135.17;1.11;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_N0";;;;;;;1.17;;-1.18;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM450119;MM450119;C=c1occ2c1=NOC2C;JYNWTCBIHYDQHF-UHFFFAOYSA-N;137.14;0.32;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNa_SN0";;;;;;;1.17;;-1.18;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM450120;MM450120;O=CC#CCOCC=CF;MLNYLHBUSBWPDT-UHFFFAOYSA-N;142.13;0.69;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4_P1";;;;;;;1.37;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM450121;MM450121;Cn1occ2c(=O)onc1-2;CTRXYTRXVVUPPA-UHFFFAOYSA-N;140.1;0.07;;;;;DOPC;MDCG;27;0;"MARTINI bead: SN0_SP2";;;;;;;0.06;;-2.21;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM450122;MM450122;N#CC#CCOCC=CF;RVMFZFUGXQUXQK-UHFFFAOYSA-N;139.13;1.01;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4_P1";;;;;;;1.37;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM450123;MM450123;O=c1onc2n(O)occ1-2;MPKVUUMMHOTAAX-UHFFFAOYSA-N;142.07;-0.23;;;;;DOPC;MDCG;27;0;"MARTINI bead: SN0_SP2";;;;;;;0.06;;-2.21;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM450124;MM450124;C=CC#CCOCC=NN;WEAGBZQFCVESCG-UHFFFAOYSA-N;138.17;0.14;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nd_Na";;;;;;;0.87;;-1.88;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM450125;MM450125;C=C1CC=c2c1coc2=C;NRXHLFILINHKSO-UHFFFAOYSA-N;132.16;0.89;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC5_SC5";;;;;;;2.41;;0.64;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM450126;MM450126;CN=C(NN)ON=CNN;OFFIBUDEOOGBDJ-UHFFFAOYSA-N;146.15;-2.14;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda_P3";;;;;;;-1.1;;-3.97;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM450127;MM450127;C=c1occ2c1=CC=C2C;OKSYEQPQTYZKOY-UHFFFAOYSA-N;132.16;0.89;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC5_SC5";;;;;;;2.41;;0.64;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM450128;MM450128;C=CC#CCONC=NO;PXOZPEYDANGNAC-UHFFFAOYSA-N;140.14;0.11;;;;;DOPC;MDCG;27;0;"MARTINI bead: P4_C4";;;;;;;0.15;;-2.18;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM450129;MM450129;C=c1occ2c1=CC=C2F;NMJNVZZCYLGPFA-UHFFFAOYSA-N;136.13;0.79;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC5_SC5";;;;;;;2.41;;0.64;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM450130;MM450130;C#CC#CCCCC=CC;ATNCTXMXGMTZTQ-UHFFFAOYSA-N;132.21;2.37;;;;;DOPC;MDCG;27;0;"MARTINI bead: C2_C2";;;;;;;4.78;;0.59;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM450131;MM450131;C=c1occ2c1=NN=C2C;OQJYZVXDBCUCKG-UHFFFAOYSA-N;134.14;0.05;;;;;DOPC;MDCG;27;0;"MARTINI bead: SN0_SN0";;;;;;;1.47;;-0.05;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM450132;MM450132;C#CC#CCCCC=CF;DIOILYAIAHHKHT-UHFFFAOYSA-N;136.17;2.28;;;;;DOPC;MDCG;27;0;"MARTINI bead: C3_C4";;;;;;;3.9;;0.47;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM450133;MM450133;N=c1[nH]oc2c(N)ccn12;OSGJTFLAVQVACQ-UHFFFAOYSA-N;138.13;-0.08;;;;;DOPC;MDCG;27;1;"MARTINI bead: SP1_SP1";;;;;;;-0.79;;-4.68;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM450134;MM450134;C#CC#CCCNC=NC;YWAJDVWNEXNOAT-UHFFFAOYSA-N;134.18;0.26;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_N0";;;;;;;1.17;;-4.64;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM450135;MM450135;C#CC#CCCOC=CC;USXXANLLFLNEFP-UHFFFAOYSA-N;134.18;1.56;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_C4";;;;;;;2.97;;0.45;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM450136;MM450136;N=c1[nH]oc2c(O)ncn12;OVDDUKRTKVFGPW-UHFFFAOYSA-N;140.1;-0.56;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP2_SP2";;;;;;;-1.34;;-4.31;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM450137;MM450137;N=c1[nH]oc2c(F)ncn12;FBNGUMKWZLBZOJ-UHFFFAOYSA-N;142.09;-0.13;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNa_SP2";;;;;;;-0.24;;-3.24;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM450138;MM450138;N#CC12CC1NC(C=O)=N2;JKIUFDVXOCYVPM-UHFFFAOYSA-N;135.13;-0.78;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP2_SP1";;;;;;;-1.06;;-3.82;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM450139;MM450139;C#CC#CCCOC=NO;GYWNESYTPUKNIU-UHFFFAOYSA-N;137.14;0.45;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_C4";;;;;;;1.09;;-0.37;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM450140;MM450140;Cc1cnn2c(=N)[nH]oc12;LTMSMZRZSXXECW-UHFFFAOYSA-N;138.13;0.04;;;;;DOPC;MDCG;27;0;"MARTINI bead: SN0_SP2";;;;;;;0.06;;-2.21;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM450141;MM450141;N#CC(C#N)NCC(=O)O;ZZPSEJZCJHEVRF-UHFFFAOYSA-N;139.11;-0.92;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_P2";;;;;;;-1.06;;-9.1;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM450142;MM450142;Nc1oc(=O)oc1C1CN1;NOTHYZRISPUSAB-UHFFFAOYSA-N;142.11;-0.54;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP3_SP2";;;;;;;-2.2;;-5.19;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM450143;MM450143;Oc1nnno1;QPFVYTIMLAFERT-UHFFFAOYSA-N;87.04;-0.83;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP2_SP2";;;;;;;-1.34;;-9.64;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM450144;MM450144;C#CC#CCNNC=NC;VOMUEAPWQDXUEC-UHFFFAOYSA-N;135.17;-0.62;;;;;DOPC;MDCG;27;1;"MARTINI bead: P3_C4";;;;;;;0.23;;-3.24;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM450145;MM450145;O=CC1C=CC(=O)O1;SBOOCBXIQDQTMP-UHFFFAOYSA-N;112.08;-0.33;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP1_SNa";;;;;;;0.04;;-8.68;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM450146;MM450146;CN=C(C#N)NOC1CC1;KYJRJCQHUBFLJI-UHFFFAOYSA-N;139.16;0.22;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_SP1";;;;;;;-1.06;;-3.82;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM450147;MM450147;N=c1[nH]oc2c(N)nnn12;UFWYVWDMLKOYNP-UHFFFAOYSA-N;140.11;-1.29;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP2_SP2";;;;;;;-1.34;;-4.31;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM450148;MM450148;C#CC#CCOCC=CC;LRROSUUYOOFVEA-UHFFFAOYSA-N;134.18;1.22;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_C4";;;;;;;2.2;;0.34;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM450149;MM450149;C=COC(=NO)C(F)(F)F;XNBVMVNZPHIZQB-UHFFFAOYSA-N;155.08;1.5;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda_N0";;;;;;;1.17;;-7.43;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM450150;MM450150;C#CC#CCOCC=NN;JEDQIYVENSNQAZ-UHFFFAOYSA-N;136.15;-0.42;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nd_Na";;;;;;;0.87;;-1.88;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM450151;MM450151;N#CC1C=CC(=O)O1;MKWAIWUFHRGICL-UHFFFAOYSA-N;109.08;-0.01;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNa_SN0";;;;;;;1.17;;-7.43;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM450152;MM450152;CCC(F)(C#N)C(=N)N;VSTRBMYRIJNAAQ-UHFFFAOYSA-N;129.14;0.56;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_P2";;;;;;;0.54;;-1.09;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM450153;MM450153;CC(=O)C(C=O)OC(N)=O;FZOXKEQSYMGQBP-UHFFFAOYSA-N;145.11;-0.76;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_P2";;;;;;;-0.24;;-8.68;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM450154;MM450154;CC#CCCCC#CCC;LDRVQMNINNFXPD-UHFFFAOYSA-N;134.22;2.59;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1_C4";;;;;;;4.24;;0.42;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM450155;MM450155;C#CC(F)C(CF)=NO;JQONTSCGZJSQBG-UHFFFAOYSA-N;133.1;0.76;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_Nda";;;;;;;0.87;;-8.68;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM450156;MM450156;CC#CCCCC#CCN;KGRUFVILMZRXEU-UHFFFAOYSA-N;135.21;1.14;;;;;DOPC;MDCG;27;1;"MARTINI bead: C3_Nd";;;;;;;2.57;;-0.27;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM450157;MM450157;CC(=O)C(C=O)C(=O)C=O;FTXFBIHBPBYXRY-UHFFFAOYSA-N;142.11;-0.84;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_Na";;;;;;;0.87;;-8.68;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM450158;MM450158;CC#CCCCC#CCO;BKBFKKOBVOVKHK-UHFFFAOYSA-N;136.19;1.18;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1_P2";;;;;;;1.8;;0.4;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM450159;MM450159;CC(=O)C(=O)C(C=O)C=O;HWAZMHNPMLHABD-UHFFFAOYSA-N;142.11;-0.84;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_Na";;;;;;;0.87;;-8.68;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM450160;MM450160;CC#CCCCC#CCF;LTIJKGSSBCFHMG-UHFFFAOYSA-N;138.19;2.15;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1_Na";;;;;;;2.91;;0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM450161;MM450161;Cc1cnc2c(C)o[nH]c1-2;ACYAFZDOYQRNEG-UHFFFAOYSA-N;136.15;1.72;;;;;DOPC;MDCG;27;0;"MARTINI bead: SN0_SNda";;;;;;;1.17;;-1.13;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM450162;MM450162;CC#CCNCC#CCN;KZGMSSNQYXGKHT-UHFFFAOYSA-N;136.2;-0.44;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_Nd";;;;;;;0.87;;-3.62;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM450163;MM450163;Cc1o[nH]c2c(N)cnc1-2;PCPGSFYVAAMPNF-UHFFFAOYSA-N;137.14;1;;;;;DOPC;MDCG;27;0;"MARTINI bead: SN0_SNda";;;;;;;1.17;;-1.13;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM450164;MM450164;CC#CCOCC#CCC;BRQVNSLJEUTTAS-UHFFFAOYSA-N;136.19;1.44;;;;;DOPC;MDCG;27;0;"MARTINI bead: C3_Na";;;;;;;2.57;;0.45;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM450165;MM450165;Nn1[nH]c(F)c(F)c1=O;KBYKXYWJOYVIPF-UHFFFAOYSA-N;135.07;-0.83;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNda_SP2";;;;;;;-0.24;;-8.5;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM450166;MM450166;CC#CCOCC#CCN;JMUXXGAHVDUGPA-UHFFFAOYSA-N;137.18;-0.01;;;;;DOPC;MDCG;27;1;"MARTINI bead: Na_Nd";;;;;;;0.87;;-3.3;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM450167;MM450167;Cc1nnc2c(C)o[nH]c1-2;HVZHHASPYQSWCF-UHFFFAOYSA-N;137.14;1.12;;;;;DOPC;MDCG;27;0;"MARTINI bead: SN0_SNda";;;;;;;1.17;;-1.13;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM450168;MM450168;CC#CCOCC#CCO;NSLUQKAOMMJTOG-UHFFFAOYSA-N;138.17;0.02;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_Nda";;;;;;;0.87;;-1.99;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM450169;MM450169;CC1Cc2nc(=N)n(C)n21;LAYLBFXLELWPPJ-UHFFFAOYSA-N;138.17;-0.18;;;;;DOPC;MDCG;27;1;"MARTINI bead: SP1_SP3";;;;;;;-1.93;;-8.85;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM450170;MM450170;CC#CCOCC#CCF;AITKDRWASFQMKW-UHFFFAOYSA-N;140.16;1;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_C5";;;;;;;1.64;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM450171;MM450171;CC1Cc2nc(=N)n(N)n21;KFWRIFXULYAVGB-UHFFFAOYSA-N;139.16;-1.01;;;;;DOPC;MDCG;27;1;"MARTINI bead: SP1_SP3";;;;;;;-1.93;;-8.16;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM450172;MM450172;C=CC#CCCCC#CC;SEXDBGHOTVSQKO-UHFFFAOYSA-N;132.21;2.37;;;;;DOPC;MDCG;27;0;"MARTINI bead: C3_C4";;;;;;;3.9;;0.47;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM450173;MM450173;CC1Cc2cn(C)c(=N)n21;IZBDZJQHCDCIEZ-UHFFFAOYSA-N;137.19;0.42;;;;;DOPC;MDCG;27;1;"MARTINI bead: SP1_SP1";;;;;;;-0.79;;-7.31;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM450174;MM450174;CC#CCCCC#CC=O;JJVUFEGBFQVOHT-UHFFFAOYSA-N;134.18;1.38;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1_P1";;;;;;;2.08;;0.48;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM450175;MM450175;CC1Cc2cn(N)c(=N)n21;RHSGARXUFAITFQ-UHFFFAOYSA-N;138.17;-0.4;;;;;DOPC;MDCG;27;1;"MARTINI bead: SP1_SP2";;;;;;;-1.06;;-7.36;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM450176;MM450176;CC#CCCCC#CC#N;BOAGXOQGFISZSN-UHFFFAOYSA-N;131.18;1.71;;;;;DOPC;MDCG;27;0;"MARTINI bead: C3_N0";;;;;;;2.87;;0.37;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM450177;MM450177;CC1Cc2cn(C)c(=O)n21;BQNYPFDZSYEGFM-UHFFFAOYSA-N;138.17;0.3;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP1_SP2";;;;;;;-1.06;;-3.82;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM450178;MM450178;C=CC#CCOCC#CC;YTBKTFZURWRKGO-UHFFFAOYSA-N;134.18;1.22;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4_Na";;;;;;;2.2;;0.34;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM450179;MM450179;CC1Cc2cn(N)c(=O)n21;PFLUMYMUOMVNCR-UHFFFAOYSA-N;139.16;-0.52;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP1_SP3";;;;;;;-1.93;;-4.72;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM450180;MM450180;CC#CCOCC#CC=O;JXJNFHFUJBXOSG-UHFFFAOYSA-N;136.15;0.23;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4_P1";;;;;;;1.37;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM450181;MM450181;Cc1cc2n(c1C)C(C)C2;PNUPFBQTLDDKGV-UHFFFAOYSA-N;135.21;2.22;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP1_SC5";;;;;;;0.81;;-0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM450182;MM450182;CC#CCOCC#CC#N;FMGYNVMGDAHHFV-UHFFFAOYSA-N;133.15;0.55;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_N0";;;;;;;1.17;;-1.18;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM450183;MM450183;Cc1c(N)cc2n1C(C)C2;JCYOMIKPPSSPEE-UHFFFAOYSA-N;136.2;1.5;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP1_SNd";;;;;;;0.04;;-2.63;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM450184;MM450184;C#CC#CCCCC#CC;ALPUGBQRTAIFFX-UHFFFAOYSA-N;130.19;1.82;;;;;DOPC;MDCG;27;0;"MARTINI bead: C3_C4";;;;;;;3.9;;0.47;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM450185;MM450185;Cc1c(O)cc2n1C(C)C2;NFSGSTCRGUNWJI-UHFFFAOYSA-N;137.18;1.62;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP1_SNda";;;;;;;0.04;;-2.73;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM450186;MM450186;C#CC#CCOCC#CC;OBXYSQGYZXFLNJ-UHFFFAOYSA-N;132.16;0.66;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_C4";;;;;;;2.2;;0.34;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM450187;MM450187;CC1Cc2cc(O)c(N)n21;TZKGQMPFWAHMEN-UHFFFAOYSA-N;138.17;0.89;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP1_SP1";;;;;;;-0.79;;-3.13;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM450188;MM450188;CCC=CCCC=CCN;ORYUKTWQTBPJIF-UHFFFAOYSA-N;139.24;2.25;;;;;DOPC;MDCG;27;1;"MARTINI bead: C1_Nd";;;;;;;2.91;;-0.08;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM450189;MM450189;CC1Cc2cc(N)c(O)n21;UNGFPMGEIQBSLK-UHFFFAOYSA-N;138.17;0.89;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP1_SP1";;;;;;;-0.79;;-3.13;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM450190;MM450190;CCC=CCCC=CCF;QPDCYPIRFOLGPZ-UHFFFAOYSA-N;142.22;3.26;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1_Na";;;;;;;2.91;;0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM450191;MM450191;CC1Cc2cc(O)c(O)n21;VZKLWYLANDDDMM-UHFFFAOYSA-N;139.15;1.02;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP1_SP1";;;;;;;-0.79;;-3.13;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM450192;MM450192;CCC=CCCC=NNC;WNQBOEFYMOUKAY-UHFFFAOYSA-N;140.23;1.94;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1_Nd";;;;;;;2.91;;0.64;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM450193;MM450193;CC1Cn2cc(N)c(N)c21;REVHXRZFEFPECE-UHFFFAOYSA-N;137.19;0.77;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP1_SP1";;;;;;;-0.79;;-3.13;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM450194;MM450194;CNN=CCCC=CCN;UOARWQMKTSWLPQ-UHFFFAOYSA-N;141.22;0.49;;;;;DOPC;MDCG;27;1;"MARTINI bead: P2_C5";;;;;;;0.54;;-3.32;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM450195;MM450195;CC1Cn2cc(O)c(N)c21;WXJFKRDOXMBADG-UHFFFAOYSA-N;138.17;0.89;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP1_SP1";;;;;;;-0.79;;-3.13;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM450196;MM450196;CCC=CCCC=NOC;OIOOQFJBMKDRAZ-UHFFFAOYSA-N;141.21;2.37;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1_Na";;;;;;;2.91;;0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM450197;MM450197;CC1Cn2cc(N)c(O)c21;FOBQLEWYYXTKPB-UHFFFAOYSA-N;138.17;0.89;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP1_SP1";;;;;;;-0.79;;-3.13;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM450198;MM450198;CC(F)CNN=CCF;TVHQXBAKCNOKRW-UHFFFAOYSA-N;136.15;0.89;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_P1";;;;;;;0.81;;-0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM450199;MM450199;CC1Cc2cn(C)c(N)c21;RSHGFMLZWWPTMS-UHFFFAOYSA-N;136.2;1.27;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC4_SNd";;;;;;;2.2;;0.32;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM450200;MM450200;CON=CCCC=NOC;RCYZHAWSJBMWEX-UHFFFAOYSA-N;144.17;1.03;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_Na";;;;;;;0.87;;-2.22;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM450201;MM450201;CC1Cc2cn(C)c(O)c21;JITCKEKGSBVPEZ-UHFFFAOYSA-N;137.18;1.39;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC4_SNda";;;;;;;2.2;;0.49;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM450202;MM450202;CCC=CCN=CNNC;DTEGVXUUFHCEQJ-UHFFFAOYSA-N;141.22;0.7;;;;;DOPC;MDCG;27;1;"MARTINI bead: C1_P4";;;;;;;0.85;;-2.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM450203;MM450203;CC1Cc2cn(N)c(F)c21;JEPMSXQGEUQTNO-UHFFFAOYSA-N;140.16;1;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC4_SNda";;;;;;;2.2;;0.49;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM450204;MM450204;CON=CNCC=CCN;AVOGORDMXBBZLZ-UHFFFAOYSA-N;143.19;-0.32;;;;;DOPC;MDCG;27;1;"MARTINI bead: P2_Nd";;;;;;;-0.24;;-5.1;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM450205;MM450205;CC1Cc2cn(O)c(F)c21;BPOIHKOUYVPMEF-UHFFFAOYSA-N;141.15;1.52;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC4_SNda";;;;;;;2.2;;0.49;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM450206;MM450206;COC=CCNC=NOC;MTINXWVYYAAGIE-UHFFFAOYSA-N;144.17;0.33;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_P2";;;;;;;0.54;;-1.09;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM450207;MM450207;NC1Cc2cn(O)c(O)c21;LVGBSDPDFCILJH-UHFFFAOYSA-N;140.14;-0.01;;;;;DOPC;MDCG;27;1;"MARTINI bead: SNd_SNda";;;;;;;0.87;;-4.29;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM450208;MM450208;CCN=CNCC=NOC;JRBNKPGGSMUEIN-UHFFFAOYSA-N;143.19;0.26;;;;;DOPC;MDCG;27;1;"MARTINI bead: C5_P2";;;;;;;0.54;;-3.73;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM450209;MM450209;Oc1c2c(cn1O)CC2O;OUMKQNXQLFTNAF-UHFFFAOYSA-N;141.13;0.02;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNda_SNda";;;;;;;0.87;;-2.07;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM450210;MM450210;CCC=CCNN=CCC;AXPGAUYDRQHHEU-UHFFFAOYSA-N;140.23;1.94;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1_Nd";;;;;;;2.91;;0.64;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM450211;MM450211;OC1Cc2cn(O)c(F)c21;RHOYBDZTZPYMLZ-UHFFFAOYSA-N;143.12;0.45;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNda_SNda";;;;;;;0.87;;-2.07;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM450212;MM450212;NCC=CCNN=CCO;RYAWHFGQHYZCRE-UHFFFAOYSA-N;143.19;-0.93;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1_P2";;;;;;;-1.06;;-6.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM450213;MM450213;CC1Nc2cn(C)c(F)c21;YRCMWKVCCAPOBO-UHFFFAOYSA-N;140.16;1.65;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNd_SNa";;;;;;;0.87;;-1.88;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM450214;MM450214;COC=NNCC=CCN;IYISDUOSOVMARW-UHFFFAOYSA-N;143.19;-0.32;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1_Nd";;;;;;;0.04;;-4.87;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM450215;MM450215;N#CCNN(C=O)CC#N;LPRBSIGYWYHAQL-UHFFFAOYSA-N;138.13;-1;;;;;DOPC;MDCG;27;0;"MARTINI bead: P3_P1";;;;;;;-1.93;;-4.72;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM450216;MM450216;CCC=NNCC=COC;FCAKTPNLDVTADT-UHFFFAOYSA-N;142.2;1.13;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nd_Na";;;;;;;0.87;;-1.88;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM450217;MM450217;CC1Oc2cn(O)c(O)c21;XVSYVTPWLGGMIS-UHFFFAOYSA-N;141.13;0.88;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNa_SNda";;;;;;;0.87;;-1.99;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM450218;MM450218;C=NN=CCCC(C)=O;CKPOKDWLERYURF-UHFFFAOYSA-N;126.16;1.04;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_C5";;;;;;;0.81;;-0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM450219;MM450219;CC1Oc2cn(C)c(F)c21;PBAAJMWWTLXGMU-UHFFFAOYSA-N;141.15;1.62;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNa_SNa";;;;;;;0.87;;-2.22;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM450220;MM450220;CCNN=C(C)C(F)F;FMCRIYUTRTVYLP-UHFFFAOYSA-N;136.15;1.24;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nd_N0";;;;;;;1.17;;-1.04;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM450221;MM450221;CC1Oc2cn(N)c(F)c21;AHFHHGFIMPWLFF-UHFFFAOYSA-N;142.13;0.79;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNa_SNda";;;;;;;0.87;;-1.99;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM450222;MM450222;NCC=COCC=CCF;CNJQEGHLFLJBTG-UHFFFAOYSA-N;145.18;1;;;;;DOPC;MDCG;27;1;"MARTINI bead: P2_C4";;;;;;;1.09;;-2.51;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM450223;MM450223;Cc1c2c(cn1C)CN2C;ACOZREIOQZLANL-UHFFFAOYSA-N;136.2;1.28;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP1_SC5";;;;;;;0.81;;-0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM450224;MM450224;OCC=COCC=CCF;NVALHRJTXYWKJZ-UHFFFAOYSA-N;146.16;1.03;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda_Na";;;;;;;0.87;;-1.99;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM450225;MM450225;COC=COCC=CCN;IETSFKPGDLWPLU-UHFFFAOYSA-N;143.19;0.64;;;;;DOPC;MDCG;27;1;"MARTINI bead: C5_P1";;;;;;;0.81;;-2.73;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM450226;MM450226;N#CC=C1NC=C(C#N)N1;MZBWYYWDMMBFLX-UHFFFAOYSA-N;132.13;-0.09;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP1_SP2";;;;;;;-1.06;;-3.82;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM450227;MM450227;COC=COCC=CCO;IJXSAHWFJRVAOL-UHFFFAOYSA-N;144.17;0.67;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_Nda";;;;;;;0.87;;-1.99;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM450228;MM450228;Cc1c2c(cn1O)CN2C;LYUIITLMDWUKHU-UHFFFAOYSA-N;138.17;0.98;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP1_SNda";;;;;;;0.04;;-2.73;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM450229;MM450229;COC=CCOC=CCN;NZGVQZWCDWTUPV-UHFFFAOYSA-N;143.19;0.64;;;;;DOPC;MDCG;27;1;"MARTINI bead: C5_P2";;;;;;;0.54;;-3.25;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM450230;MM450230;C#CC=C1CNC(C=O)=N1;GBLPCQFRADLQFY-UHFFFAOYSA-N;134.14;-0.3;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP2_SP1";;;;;;;-1.06;;-3.82;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM450231;MM450231;COC=CCOC=CCO;PLSPHVHZBCWCHL-UHFFFAOYSA-N;144.17;0.67;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_P2";;;;;;;0.54;;-1.09;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM450232;MM450232;CCC(=O)CC1CN1C=O;VLYRQCHIYRCQGR-UHFFFAOYSA-N;141.17;0.2;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_SP2";;;;;;;-0.24;;-3.24;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM450233;MM450233;COC=CCOC=COC;ODGMCWNHGZPYQO-UHFFFAOYSA-N;144.17;1.28;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_P1";;;;;;;0.81;;-0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM450234;MM450234;CN1Cc2cn(C)c(O)c21;WCOZICNWWCKNCT-UHFFFAOYSA-N;138.17;0.68;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP1_SNda";;;;;;;0.04;;-2.73;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM450235;MM450235;CC(=NOC=O)C(F)F;ZSXXEYNQMNRBSY-UHFFFAOYSA-N;137.09;0.8;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_C5";;;;;;;0.54;;-1.09;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM450236;MM450236;CC=C1N=C(C#N)NC1C;YIFXKBCNXUBNDT-UHFFFAOYSA-N;135.17;0.8;;;;;DOPC;MDCG;27;0;"MARTINI bead: SN0_SP1";;;;;;;0.34;;-1.53;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM450237;MM450237;COC=CCOC=NOC;PFCNSBTZXPFELM-UHFFFAOYSA-N;145.16;0.75;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_P2";;;;;;;0.54;;-1.09;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM450238;MM450238;CC1Cc2nc(=N)cnn21;KHAXLNCTDNOBQN-UHFFFAOYSA-N;136.16;-0.13;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP1_SP3";;;;;;;-1.93;;-4.72;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM450239;MM450239;CNN=CCOC=CCF;GKEPQXXTHHSPHR-UHFFFAOYSA-N;146.17;0.69;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_C5";;;;;;;0.54;;-1.09;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM450240;MM450240;CC1Cc2nc(=O)cnn21;KSPVFPOXIHMULL-UHFFFAOYSA-N;137.14;-0.24;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP1_SP3";;;;;;;-1.93;;-4.72;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM450241;MM450241;C#CCC(C#N)=CNC;MCKVIPGBDBUXOS-UHFFFAOYSA-N;120.16;0.64;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_C5";;;;;;;0.54;;-1.09;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM450242;MM450242;N=c1cnn2c(n1)CC2=O;JEJJNJUZSBVAJL-UHFFFAOYSA-N;136.11;-1.05;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP2_SP3";;;;;;;-2.2;;-5.19;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM450243;MM450243;N#CC1CCC(C=O)N1;XPQNTUYRODTNRH-UHFFFAOYSA-N;124.14;-0.17;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP1_SP1";;;;;;;-0.79;;-3.13;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM450244;MM450244;CC1Cc2cc(=O)occ21;UDWNEPBMLPUUNX-UHFFFAOYSA-N;136.15;1.3;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNa_SC4";;;;;;;2.2;;0.34;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM450245;MM450245;NCC=CCON=CCO;VSLHWHUOCJYPCB-UHFFFAOYSA-N;144.17;-0.5;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_P2";;;;;;;-0.24;;-5.4;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM450246;MM450246;CC1Cc2nc(=N)occ21;FJZAVHRORDQUAZ-UHFFFAOYSA-N;136.15;0.81;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP1_SC4";;;;;;;1.37;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM450247;MM450247;C=NN1CCC(=O)CC1;ZVDBFGCPDBLFGF-UHFFFAOYSA-N;126.16;0.27;;;;;DOPC;MDCG;27;0;"MARTINI bead: SN0_SP2";;;;;;;0.06;;-2.21;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM450248;MM450248;CC1Cc2nc(=O)occ21;FYJRSGSZKKHZDN-UHFFFAOYSA-N;137.14;0.69;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP2_SC4";;;;;;;1.09;;-0.38;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM450249;MM450249;CC=CC=NNC=NC;DJIMIHLHKPATBK-UHFFFAOYSA-N;125.18;0.8;;;;;DOPC;MDCG;27;0;"MARTINI bead: C2_P3";;;;;;;0.86;;-0.29;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM450250;MM450250;CC1=NNCC1(C)F;LIQMTPPLSYRURB-UHFFFAOYSA-N;116.14;0.69;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP1_SNa";;;;;;;0.04;;-2.54;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM450251;MM450251;CC(F)(F)C=NNCCF;CWXDVAQOBSJAKR-UHFFFAOYSA-N;154.14;1.19;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_P2";;;;;;;0.54;;-1.09;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM450252;MM450252;O=C1Nc2cc(=O)occ21;ILPAATRIWPQAIC-UHFFFAOYSA-N;137.09;0.21;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP2_SNa";;;;;;;-0.24;;-3.24;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM450253;MM450253;CCC=NOCC=CCF;KCRXLCADEJCVON-UHFFFAOYSA-N;145.18;1.92;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_C4";;;;;;;2.2;;0.34;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM450254;MM450254;N=c1nc2c(co1)C(=O)N2;IMXHPTBHYGTCPP-UHFFFAOYSA-N;137.1;-0.28;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP1_SP2";;;;;;;-1.06;;-3.82;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM450255;MM450255;NCC=NOCC=CCF;UFNVXUINQJZGBU-UHFFFAOYSA-N;146.17;0.47;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1_Na";;;;;;;0.04;;-3.94;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM450256;MM450256;O=C1Oc2cc(=O)occ21;KUJVHXDRKGAXRE-UHFFFAOYSA-N;138.08;0.17;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP1_SNa";;;;;;;0.04;;-2.54;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM450257;MM450257;COC=NOCC=CCF;SOXKNRRYFIACOV-UHFFFAOYSA-N;147.15;1.12;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_C4";;;;;;;1.09;;-0.38;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM450258;MM450258;N=c1nc2c(co1)C(=O)O2;FLWBQFCDRCMIIH-UHFFFAOYSA-N;138.08;-0.31;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP1_SP1";;;;;;;-0.79;;-3.13;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM450259;MM450259;C=CC(=C)C(C)(O)C(C)C;KLEZEKKBDMVLBR-UHFFFAOYSA-N;140.23;2.14;;;;;DOPC;MDCG;27;0;"MARTINI bead: C3_C5";;;;;;;3.34;;0.48;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM450260;MM450260;c1cnc(=NC2CC2)oc1;DGIZPSCFNIPXAE-UHFFFAOYSA-N;136.15;0.74;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC5_SP1";;;;;;;0.81;;-0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM450261;MM450261;COC=CCON=COC;OOBSNHSEYNFDDT-UHFFFAOYSA-N;145.16;0.75;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_Na";;;;;;;0.87;;-2.22;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM450262;MM450262;c1ncoc(=NC2CC2)n1;AWYWLBIHGKDCHY-UHFFFAOYSA-N;137.14;0.13;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC5_SP3";;;;;;;-0.33;;-2.01;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM450263;MM450263;C=CC(C)N=C(N)C(C)=O;GBLOTXKQLJJTET-UHFFFAOYSA-N;140.19;0.51;;;;;DOPC;MDCG;27;0;"MARTINI bead: N0_P1";;;;;;;0.34;;-1.53;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM450264;MM450264;c1coc(=NC2CC2)nn1;MFWKDCKHGPKPLN-UHFFFAOYSA-N;137.14;0.13;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC5_SP3";;;;;;;-0.33;;-2.01;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM450265;MM450265;CC=NN=CCCC(C)=O;SJPKOYQNHUTFIK-UHFFFAOYSA-N;140.19;1.43;;;;;DOPC;MDCG;27;0;"MARTINI bead: C3_P1";;;;;;;1.74;;0.29;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM450266;MM450266;c1nnnc(=NC2CC2)o1;UJRPRTJVWOQZMD-UHFFFAOYSA-N;138.13;-0.47;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC5_SP3";;;;;;;-0.33;;-2.01;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM450267;MM450267;C#CC=C(C)C(=N)NN=C;FMDJPGXKDGLCGX-UHFFFAOYSA-N;135.17;0.75;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4_P2";;;;;;;1.09;;-0.37;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM450268;MM450268;c1nnoc(=NC2CC2)n1;FWJYKVFMWKAFRN-UHFFFAOYSA-N;138.13;-0.47;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC5_SP3";;;;;;;-0.33;;-2.01;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM450269;MM450269;C=CC=CCCC=CCC;FDBJNQUXZRDJHC-UHFFFAOYSA-N;136.24;3.48;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1_C1";;;;;;;4.95;;0.69;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM450270;MM450270;c1ccc(=NN2CC2)oc1;QUMWWGRTGCNTGE-UHFFFAOYSA-N;136.15;0.41;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP2_SN0";;;;;;;0.06;;-2.21;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM450271;MM450271;CCC=CCCC=CC#N;DSOXXQLCMAEPEZ-UHFFFAOYSA-N;135.21;2.81;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1_N0";;;;;;;3.21;;0.46;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM450272;MM450272;c1cc(=NN2CC2)ocn1;VSVCFCSCECPHAY-UHFFFAOYSA-N;137.14;-0.19;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP2_SP2";;;;;;;-1.34;;-4.31;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM450273;MM450273;C=CC=CCCC=CCN;URDPJCKJGDYWEB-UHFFFAOYSA-N;137.23;2.02;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1_C1";;;;;;;2.08;;-0.65;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM450274;MM450274;c1nncc(=NN2CC2)o1;IISRXIYGVNGKFC-UHFFFAOYSA-N;138.13;-0.8;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP2_SP3";;;;;;;-2.2;;-5.19;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM450275;MM450275;O=CC=CCCC=CCO;JMKAXWQWMNABPI-UHFFFAOYSA-N;140.18;1.07;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda_Na";;;;;;;0.87;;-1.99;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM450276;MM450276;c1cc(=NN2CC2)onn1;WGXWGFXOGKWROS-UHFFFAOYSA-N;138.13;-0.8;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP2_SP2";;;;;;;-1.34;;-4.31;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM450277;MM450277;N#CC=CCCC=CCO;CYMNZKLMNMFKQO-UHFFFAOYSA-N;137.18;1.39;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda_N0";;;;;;;1.17;;-1.13;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM450278;MM450278;c1cnc(=NN2CC2)oc1;JMRMIARZCZVBQX-UHFFFAOYSA-N;137.14;-0.19;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP2_SP1";;;;;;;-1.06;;-3.82;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM450279;MM450279;C=NN=CCCC=CCC;DZDZHUZYOFLFIC-UHFFFAOYSA-N;138.21;2.42;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1_N0";;;;;;;3.21;;0.46;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM450280;MM450280;c1ncoc(=NN2CC2)n1;VYXCZDRIRZRPRE-UHFFFAOYSA-N;138.13;-0.8;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP2_SP3";;;;;;;-2.2;;-5.19;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM450281;MM450281;C=NN=CCCC=CCF;SNIHTFNFRFTGEU-UHFFFAOYSA-N;142.18;1.98;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4_C5";;;;;;;2.97;;0.45;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM450282;MM450282;c1coc(=NN2CC2)nn1;PRXAQRTYSRAHHC-UHFFFAOYSA-N;138.13;-0.8;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP2_SP3";;;;;;;-2.2;;-5.19;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM450283;MM450283;C=CC=CCCC=NOC;MPFZVFIQCVKXNA-UHFFFAOYSA-N;139.2;2.14;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_C1";;;;;;;2.91;;0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM450284;MM450284;c1nnnc(=NN2CC2)o1;RYJZLFOLLAEBMU-UHFFFAOYSA-N;139.12;-1.4;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP2_SP3";;;;;;;-2.2;;-5.19;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM450285;MM450285;C=NN=CCCC=NOC;CHDZTEDOQAOEEV-UHFFFAOYSA-N;141.17;1.09;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_C5";;;;;;;1.64;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM450286;MM450286;c1nnoc(=NN2CC2)n1;LIUJHFABCSFBBB-UHFFFAOYSA-N;139.12;-1.4;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP2_SP3";;;;;;;-2.2;;-5.19;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM450287;MM450287;CCC=CCNC=CC#N;XIWWGAVCHNDVGN-UHFFFAOYSA-N;136.2;1.58;;;;;DOPC;MDCG;27;0;"MARTINI bead: C3_Nd";;;;;;;2.57;;0.53;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM450288;MM450288;c1cc(=NC2CC2)nco1;NKNPADULSFTOLG-UHFFFAOYSA-N;136.15;0.74;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC5_SP2";;;;;;;0.54;;-1.09;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM450289;MM450289;COC=CCNC=CC#N;SDEGWYPKNXUICL-UHFFFAOYSA-N;138.17;0.77;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_Nd";;;;;;;0.87;;-1.88;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM450290;MM450290;c1cc(=NN2CC2)cco1;SYNRGXUSPUUJOJ-UHFFFAOYSA-N;136.15;0.41;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP2_SP1";;;;;;;-1.06;;-3.82;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM450291;MM450291;CCC=CCN=CNC=N;VDMNFNVPJMYKJE-UHFFFAOYSA-N;139.2;1.18;;;;;DOPC;MDCG;27;1;"MARTINI bead: C1_P4";;;;;;;0.85;;-2.48;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM450292;MM450292;c1cc(=NN2CC2)nco1;LOWLIKMNWSEBBZ-UHFFFAOYSA-N;137.14;-0.19;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP2_SP2";;;;;;;-1.34;;-4.31;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM450293;MM450293;NCC=CCN=CNC=O;HZGQNZKSSHHIBH-UHFFFAOYSA-N;141.17;-0.72;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_P4";;;;;;;-1.19;;-7.04;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM450294;MM450294;c1cc(=NN2CC2)nno1;VXEUPAZCHDSOBI-UHFFFAOYSA-N;138.13;-0.8;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP2_SP2";;;;;;;-1.34;;-4.31;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM450295;MM450295;O=CNC=NCC=CCF;FKCSNOHWCLCRJO-UHFFFAOYSA-N;144.15;0.29;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4_P4";;;;;;;0.15;;-2.18;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM450296;MM450296;C=NNC=NCC=CCN;XTADKCOCPBCJET-UHFFFAOYSA-N;140.19;-0.27;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_P1";;;;;;;0.04;;-4.58;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM450297;MM450297;c1nc(=NN2CC2)nco1;LEFFHYNGSXBBNJ-UHFFFAOYSA-N;138.13;-0.8;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP2_SP3";;;;;;;-2.2;;-5.19;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM450298;MM450298;C=NOC(C#CC)CC#N;OEMGJRBARFKTFZ-UHFFFAOYSA-N;136.15;0.92;;;;;DOPC;MDCG;27;0;"MARTINI bead: N0_Na";;;;;;;1.17;;-1.18;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM450299;MM450299;O=c1cccc(C2CC2)o1;QFMZCQHXJDVRLW-UHFFFAOYSA-N;136.15;1.52;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNa_SC5";;;;;;;1.64;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM450300;MM450300;CON=CCNC=CC=O;SLHQTNSWXGNVLR-UHFFFAOYSA-N;142.16;-0.08;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_P2";;;;;;;-0.24;;-3.24;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM450301;MM450301;N=c1nccc(C2CC2)o1;BCSQKDDPDAYRNT-UHFFFAOYSA-N;136.15;1.03;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP1_SC5";;;;;;;0.81;;-0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM450302;MM450302;O=c1ccnc(C2CC2)o1;XCRFFXPXJXDLJZ-UHFFFAOYSA-N;137.14;0.91;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP2_SC5";;;;;;;0.54;;-1.09;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM450303;MM450303;CCC(=O)N(C)N=CNC;NXXWLEYKUJGNFN-UHFFFAOYSA-N;143.19;0.02;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_P2";;;;;;;-0.24;;-3.24;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM450304;MM450304;O=c1cnnc(C2CC2)o1;OLKKSEDRMVJMBC-UHFFFAOYSA-N;138.13;0.31;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP3_SC5";;;;;;;-0.33;;-2.01;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM450305;MM450305;C=CC=NNCC=CCN;VXRXDORPGOEJPQ-UHFFFAOYSA-N;139.2;0.26;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_Nd";;;;;;;0.87;;-4.36;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM450306;MM450306;N=c1ncnc(C2CC2)o1;ASYCHSJULWTGKB-UHFFFAOYSA-N;137.14;0.43;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP3_SC5";;;;;;;-0.33;;-2.01;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM450307;MM450307;C=CC(=C)C=NNC=NC;MLQCFEOLOFLEPM-UHFFFAOYSA-N;137.19;0.96;;;;;DOPC;MDCG;27;0;"MARTINI bead: P3_C3";;;;;;;0.6;;-0.8;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM450308;MM450308;O=c1cccc(C2CN2)o1;FMPWWAJWGPAODF-UHFFFAOYSA-N;137.14;0.28;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNa_SP2";;;;;;;-0.24;;-3.24;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM450309;MM450309;COC=CCNN=CC#N;IZYHIVWYAQPGMX-UHFFFAOYSA-N;139.16;0.25;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_Nd";;;;;;;0.87;;-1.88;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM450310;MM450310;N=c1nccc(C2CN2)o1;IOCJXNGWHNWMCE-UHFFFAOYSA-N;137.14;-0.2;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP1_SP2";;;;;;;-1.06;;-3.82;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM450311;MM450311;C=CC=COCC=CCC;NKGSNJCJRCHAFG-UHFFFAOYSA-N;138.21;2.67;;;;;DOPC;MDCG;27;0;"MARTINI bead: C3_C4";;;;;;;3.9;;0.47;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM450312;MM450312;N=c1nncc(C2CN2)o1;VPTBPUUYUBNOSV-UHFFFAOYSA-N;138.13;-0.81;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP3_SP3";;;;;;;-3.07;;-6.15;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM450313;MM450313;CCC=CCOC=CC=O;MHORVTZHGKFZNQ-UHFFFAOYSA-N;140.18;1.68;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_Na";;;;;;;1.64;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM450314;MM450314;COC=CCOC=CC#N;ONTUQVXISKTSTG-UHFFFAOYSA-N;139.15;1.2;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_Na";;;;;;;0.87;;-2.22;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM450315;MM450315;O=c1nncc(C2CN2)o1;JEKXCHURMGZMMI-UHFFFAOYSA-N;139.11;-0.93;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP2_SP3";;;;;;;-2.2;;-5.19;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM450316;MM450316;O=c1ccnc(C2CN2)o1;IRBVYIPUANLDKJ-UHFFFAOYSA-N;138.13;-0.32;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP2_SP2";;;;;;;-1.34;;-4.31;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM450317;MM450317;C=NN=COCC=CCO;LMXHPTDYATVVDY-UHFFFAOYSA-N;142.16;0.2;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda_Na";;;;;;;0.87;;-1.99;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM450318;MM450318;N=c1ncnc(C2CN2)o1;GFJYTFFWRJWFLN-UHFFFAOYSA-N;138.13;-0.81;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP3_SP2";;;;;;;-2.2;;-5.19;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM450319;MM450319;C=NN=COCC=COC;FUCUOFQGSKXSTF-UHFFFAOYSA-N;142.16;0.81;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_Na";;;;;;;0.87;;-2.22;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM450320;MM450320;N=c1nnnc(C2CN2)o1;TVTBCARUXNOWME-UHFFFAOYSA-N;139.12;-1.41;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP3_SP2";;;;;;;-2.2;;-5.19;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM450321;MM450321;C=CC=COCC=NNC;CQJZEVXSLJKQPM-UHFFFAOYSA-N;140.19;0.91;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_C4";;;;;;;1.09;;-0.38;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM450322;MM450322;O=c1cccc(C2CO2)o1;FWUPBJOPRGVKGZ-UHFFFAOYSA-N;138.12;0.71;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNa_SP1";;;;;;;0.04;;-2.54;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM450323;MM450323;C=CC=COCC=NOC;WLMFECFEGKQIDW-UHFFFAOYSA-N;141.17;1.33;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_C4";;;;;;;1.37;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM450324;MM450324;N=c1nccc(C2CO2)o1;HUKNPEMXVJNIRV-UHFFFAOYSA-N;138.13;0.23;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP1_SP1";;;;;;;-0.79;;-3.13;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM450325;MM450325;CON=CCOC=CC#N;NEUQZLOERONZHQ-UHFFFAOYSA-N;140.14;0.67;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_N0";;;;;;;0.34;;-1.53;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM450326;MM450326;O=c1nccc(C2CO2)o1;DYMNJJZRGGNPOC-UHFFFAOYSA-N;139.11;0.11;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP2_SP1";;;;;;;-1.06;;-3.82;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM450327;MM450327;C=CC=NOCC=CCC;VXWZPVIBEGAAGR-UHFFFAOYSA-N;139.2;2.14;;;;;DOPC;MDCG;27;0;"MARTINI bead: C3_Na";;;;;;;2.57;;0.45;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM450328;MM450328;CCC=CCON=CC=O;QLAFZUPDDUPGEN-UHFFFAOYSA-N;141.17;1.15;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1_P1";;;;;;;2.08;;0.48;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM450329;MM450329;N=c1nncc(C2CO2)o1;FOOZPFGRKQUKPQ-UHFFFAOYSA-N;139.11;-0.38;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP3_SP3";;;;;;;-3.07;;-6.15;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM450330;MM450330;CCC=CCON=CC#N;DATNGSIMYRSCGI-UHFFFAOYSA-N;138.17;1.48;;;;;DOPC;MDCG;27;0;"MARTINI bead: C3_Na";;;;;;;2.57;;0.45;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM450331;MM450331;O=c1nncc(C2CO2)o1;IVELHNYNOLIISA-UHFFFAOYSA-N;140.1;-0.5;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP2_SP3";;;;;;;-2.2;;-5.19;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM450332;MM450332;C=CC=NOCC=CCN;HQHZFCNMXXQNEA-UHFFFAOYSA-N;140.19;0.69;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_Na";;;;;;;0.87;;-4.13;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM450333;MM450333;O=c1ccnc(C2CO2)o1;IFOXGPFAPMTNHG-UHFFFAOYSA-N;139.11;0.11;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP2_SP1";;;;;;;-1.06;;-3.82;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM450334;MM450334;COC=CCON=CC#N;IOSZJLUEUZBUAI-UHFFFAOYSA-N;140.14;0.67;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_Na";;;;;;;0.87;;-2.22;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM450335;MM450335;O=c1cnnc(C2CO2)o1;XFKOUQWKVVKZDF-UHFFFAOYSA-N;140.1;-0.5;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP3_SP1";;;;;;;-1.93;;-4.72;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM450336;MM450336;C=CC=NOCC=NNC;KJGMDXKQXGALDU-UHFFFAOYSA-N;141.17;0.38;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_C4";;;;;;;1.09;;-0.38;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM450337;MM450337;N=c1ncnc(C2CO2)o1;SVAYFIXJSVKHBP-UHFFFAOYSA-N;139.11;-0.38;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP3_SP1";;;;;;;-1.93;;-4.72;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM450338;MM450338;CON=CCON=CC=O;OCINRMZXGAIRBI-UHFFFAOYSA-N;144.13;-0.18;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_P1";;;;;;;0.04;;-2.54;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM450339;MM450339;O=c1ncnc(C2CO2)o1;LIOCWEACBHJENT-UHFFFAOYSA-N;140.1;-0.5;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP3_SP1";;;;;;;-1.93;;-4.72;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM450340;MM450340;CCN=CNCC=CC=O;YYMAXYWKZZDHDB-UHFFFAOYSA-N;140.19;0.38;;;;;DOPC;MDCG;27;1;"MARTINI bead: C5_P2";;;;;;;0.54;;-4.17;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM450341;MM450341;N=c1nnnc(C2CO2)o1;NHRVZTXJYCILJE-UHFFFAOYSA-N;140.1;-0.98;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP3_SP1";;;;;;;-1.93;;-4.72;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM450342;MM450342;CON=CNCC=CC#N;JSXHUPMDQPAQFO-UHFFFAOYSA-N;139.16;0.25;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_N0";;;;;;;0.34;;-1.53;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM450343;MM450343;O=c1cccc(N2CC2)o1;WCLKPMGFBPHXLL-UHFFFAOYSA-N;137.14;0.46;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNa_SP2";;;;;;;-0.24;;-3.24;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM450344;MM450344;C=CC=CCNN=CCC;YYYDKOMOVQNEGS-UHFFFAOYSA-N;138.21;1.71;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nd_C1";;;;;;;2.91;;0.63;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM450345;MM450345;N=c1nccc(N2CC2)o1;NSFFLIPMBASTDE-UHFFFAOYSA-N;137.14;-0.03;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP1_SP2";;;;;;;-1.06;;-3.82;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM450346;MM450346;C=C(C#N)C(=NOC)NC;OOWULKSNELSHLP-UHFFFAOYSA-N;139.16;0.25;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_N0";;;;;;;0.34;;-1.53;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM450347;MM450347;O=c1nccc(N2CC2)o1;TYWJSRZMIJCJRJ-UHFFFAOYSA-N;138.13;-0.15;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP2_SP2";;;;;;;-1.34;;-4.31;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM450348;MM450348;C=NN=CCNN=CCC;UEIPGSHOQAYHMV-UHFFFAOYSA-N;140.19;0.66;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nd_C5";;;;;;;1.64;;0.02;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM450349;MM450349;O=c1ccnc(N2CC2)o1;KRGUGKBJZRMBDY-UHFFFAOYSA-N;138.13;-0.15;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP2_SP2";;;;;;;-1.34;;-4.31;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM450350;MM450350;CN=NC=C(CCF)NN;UUOIQRFHRKCMOR-UHFFFAOYSA-N;146.17;0.73;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_P2";;;;;;;0.54;;-1.09;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM450351;MM450351;O=c1cnnc(N2CC2)o1;NDLUKKSKKXKSCL-UHFFFAOYSA-N;139.11;-0.75;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP3_SP2";;;;;;;-2.2;;-5.19;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM450352;MM450352;CCN=CNNC=CC=O;JWLGSVXDJDGEMQ-UHFFFAOYSA-N;141.17;-0.16;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_P2";;;;;;;-0.24;;-4.68;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM450353;MM450353;N=c1ncnc(N2CC2)o1;FBKGDWIDCNJESD-UHFFFAOYSA-N;138.13;-0.63;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP3_SP2";;;;;;;-2.2;;-5.19;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM450354;MM450354;CCN=CNNC=CC#N;AMJCJCQDLJPSEK-UHFFFAOYSA-N;138.17;0.17;;;;;DOPC;MDCG;27;1;"MARTINI bead: P2_N0";;;;;;;0.06;;-3.72;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM450355;MM450355;O=c1ncnc(N2CC2)o1;GOIJYSMUGSBINC-UHFFFAOYSA-N;139.11;-0.75;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP3_SP2";;;;;;;-2.2;;-5.19;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM450356;MM450356;N=c1c(N)c(F)ncn1N;IIFLHVSZAUHLRQ-UHFFFAOYSA-N;143.13;-1.2;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNda_SP3";;;;;;;-1.1;;-3.97;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM450357;MM450357;N=c1nnnc(N2CC2)o1;CIGVFWAGWZELCU-UHFFFAOYSA-N;139.12;-1.24;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP3_SP2";;;;;;;-2.2;;-5.19;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM450358;MM450358;C=CC=CCOC=CCC;OWALZRFJPNRVPU-UHFFFAOYSA-N;138.21;2.67;;;;;DOPC;MDCG;27;0;"MARTINI bead: C3_Na";;;;;;;2.57;;0.45;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM450359;MM450359;O=c1ccoc(C2CC2)c1;SGSCBHZGZNGHDG-UHFFFAOYSA-N;136.15;1.52;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP1_SC5";;;;;;;0.81;;-0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM450360;MM450360;CCC=COCC=CC#N;FBIKMNAFVJYZBS-UHFFFAOYSA-N;137.18;2.01;;;;;DOPC;MDCG;27;0;"MARTINI bead: C3_N0";;;;;;;2.87;;0.37;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM450361;MM450361;N=c1cc(C2CC2)ocn1;WKRTTXROKWFXCZ-UHFFFAOYSA-N;136.15;1.03;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP2_SC5";;;;;;;0.54;;-1.09;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM450362;MM450362;C=CC=CCOC=CCN;GCDWGVFRPKYDMQ-UHFFFAOYSA-N;139.2;1.22;;;;;DOPC;MDCG;27;1;"MARTINI bead: P2_C1";;;;;;;1.8;;-1.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM450363;MM450363;O=c1cc(C2CC2)ocn1;SFYMOZFWZMFPRS-UHFFFAOYSA-N;137.14;0.91;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP2_SC5";;;;;;;0.54;;-1.09;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM450364;MM450364;N#CC=CCOC=CCF;XXTMLHGEDATHTH-UHFFFAOYSA-N;141.15;1.57;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_N0";;;;;;;1.17;;-1.18;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM450365;MM450365;N=c1ccoc(C2CC2)n1;NUYXTZYEBXTRFD-UHFFFAOYSA-N;136.15;1.03;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP2_SC5";;;;;;;0.54;;-1.09;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM450366;MM450366;C=CC=CCOC=COC;LAAZXGNUBZISLO-UHFFFAOYSA-N;140.18;1.86;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_C1";;;;;;;2.08;;0.48;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM450367;MM450367;O=c1ccoc(C2CC2)n1;KOOXQKWPOBUORV-UHFFFAOYSA-N;137.14;0.91;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP2_SC5";;;;;;;0.54;;-1.09;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM450368;MM450368;COC=COCC=CC=O;WGPDAOMXGXVVIT-UHFFFAOYSA-N;142.15;0.88;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_Na";;;;;;;0.87;;-2.22;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM450369;MM450369;N=c1ncoc(C2CC2)n1;WCRODHIYCLCZCY-UHFFFAOYSA-N;137.14;0.43;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP3_SC5";;;;;;;-0.33;;-2.01;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM450370;MM450370;COC=COCC=CC#N;AMFMOJKYENCIQV-UHFFFAOYSA-N;139.15;1.2;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_P1";;;;;;;0.81;;-0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM450371;MM450371;O=c1ncoc(C2CC2)n1;KJGCSIVMYSQJIR-UHFFFAOYSA-N;138.13;0.31;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP3_SC5";;;;;;;-0.33;;-2.01;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM450372;MM450372;C=NN=CCOC=CCN;CJGOTUHXWGDPLF-UHFFFAOYSA-N;141.17;0.16;;;;;DOPC;MDCG;27;1;"MARTINI bead: P2_C5";;;;;;;0.54;;-3.25;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM450373;MM450373;N=c1nnoc(C2CC2)n1;WZWTZWMRUFMOMU-UHFFFAOYSA-N;138.13;-0.18;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP3_SC5";;;;;;;-0.33;;-2.01;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM450374;MM450374;C=NN=CCOC=CCO;NDNIHLSVXKMAMX-UHFFFAOYSA-N;142.16;0.2;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_C5";;;;;;;0.54;;-1.09;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM450375;MM450375;N=C(C=O)NC=CF;SFEJJHXCCQBJAH-UHFFFAOYSA-N;116.1;0.19;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda_P2";;;;;;;-0.24;;-3.31;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM450376;MM450376;C=NN=CCOC=COC;ODUQGIJMQCEHML-UHFFFAOYSA-N;142.16;0.81;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_N0";;;;;;;1.17;;-1.18;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM450377;MM450377;N=c1cc(C2CN2)ocn1;DOIRMAYJDFHLBN-UHFFFAOYSA-N;137.14;-0.2;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP2_SP2";;;;;;;-1.34;;-4.31;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM450378;MM450378;N=c1ncn(N)c(F)c1N;LNXNZECZWGSPIR-UHFFFAOYSA-N;143.13;-1.2;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNda_SP3";;;;;;;-1.1;;-3.97;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM450379;MM450379;CN1CCC(=O)C1=N;OIASPHOZIPZIEB-UHFFFAOYSA-N;112.13;-0.13;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNd_SP2";;;;;;;-0.24;;-3.16;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM450380;MM450380;C=CC=CCOC=NOC;YXVOCBUVLSXUCW-UHFFFAOYSA-N;141.17;1.33;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_C1";;;;;;;1.8;;0.4;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM450381;MM450381;N=c1cc(C2CN2)onn1;KLXSJPRNHCIGQF-UHFFFAOYSA-N;138.13;-0.81;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP2_SP2";;;;;;;-1.34;;-4.31;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM450382;MM450382;N#CC=CNN(C=N)C=O;RTDZRWWISBGXMQ-UHFFFAOYSA-N;138.13;-0.41;;;;;DOPC;MDCG;27;0;"MARTINI bead: P4_N0";;;;;;;-0.88;;-3.74;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM450383;MM450383;CC#CC1CC=NN1;GNQHEUZKLJMZSX-UHFFFAOYSA-N;108.14;0.36;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNd_SP1";;;;;;;0.04;;-2.63;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM450384;MM450384;C=NN=CCOC=NOC;AQJFXGOIOPMKPW-UHFFFAOYSA-N;143.15;0.28;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_C5";;;;;;;0.54;;-1.09;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM450385;MM450385;N=c1ccoc(C2CN2)n1;SPGFBVDIZRQDPZ-UHFFFAOYSA-N;137.14;-0.2;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP2_SP2";;;;;;;-1.34;;-4.31;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM450386;MM450386;C=CC=CCON=CCC;WHLIYPSOFKZFCW-UHFFFAOYSA-N;139.2;2.14;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_C4";;;;;;;2.2;;0.34;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM450387;MM450387;O=c1ccoc(C2CN2)n1;KLNVAAQJFVYGJW-UHFFFAOYSA-N;138.13;-0.32;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP2_SP2";;;;;;;-1.34;;-4.31;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM450388;MM450388;CCC=NOCC=CC=O;JHHUTPSTXMSHAV-UHFFFAOYSA-N;141.17;1.15;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_Na";;;;;;;0.87;;-2.22;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM450389;MM450389;N=c1ncoc(C2CN2)n1;QOLBWHRVYQSOOC-UHFFFAOYSA-N;138.13;-0.81;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP3_SP2";;;;;;;-2.2;;-5.19;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM450390;MM450390;C#CC(C#N)C=NNCC;DBLSKANPDWAUFE-UHFFFAOYSA-N;135.17;0.35;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_N0";;;;;;;0.34;;-1.53;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM450391;MM450391;O=c1ncoc(C2CN2)n1;HFZJBQGHXUGPDR-UHFFFAOYSA-N;139.11;-0.93;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP3_SP2";;;;;;;-2.2;;-5.19;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM450392;MM450392;C=CC=CCON=COC;AEYPRSMMQMVDJH-UHFFFAOYSA-N;141.17;1.33;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_C4";;;;;;;2.2;;0.34;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM450393;MM450393;N=c1nnoc(C2CN2)n1;CGOOULJEDZHJTJ-UHFFFAOYSA-N;139.12;-1.41;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP3_SP2";;;;;;;-2.2;;-5.19;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM450394;MM450394;C=NN=CCON=CCC;PTJMLFNCEBWIBY-UHFFFAOYSA-N;141.17;1.09;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_N0";;;;;;;1.17;;-1.18;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM450395;MM450395;O=c1ccoc(C2CO2)c1;NTCYGNGODZIMLK-UHFFFAOYSA-N;138.12;0.71;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP1_SP1";;;;;;;-0.79;;-3.13;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM450396;MM450396;CC1=C(F)CC(=NN)CC1;WUXMETSBXADRAB-UHFFFAOYSA-N;142.18;1.73;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC4_SNd";;;;;;;2.2;;0.32;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM450397;MM450397;N=c1cc(C2CO2)ocn1;VVZLDFQAOGJXNB-UHFFFAOYSA-N;138.13;0.23;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP2_SP1";;;;;;;-1.06;;-3.82;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM450398;MM450398;C=CC1=CC(=CC=O)NN1;YJHBKTNJJBLVNX-UHFFFAOYSA-N;136.15;0.25;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP2_SP2";;;;;;;-1.34;;-4.31;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM450399;MM450399;O=c1cc(C2CO2)ocn1;UAUMXYMXBNGJDJ-UHFFFAOYSA-N;139.11;0.11;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP2_SP1";;;;;;;-1.06;;-3.82;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM450400;MM450400;C=NN=CCON=COC;YPFQVESDIRSCHT-UHFFFAOYSA-N;143.15;0.28;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_C5";;;;;;;0.54;;-1.09;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM450401;MM450401;N=c1ccoc(C2CO2)n1;RLDKOABIMZRQIX-UHFFFAOYSA-N;138.13;0.23;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP2_SP1";;;;;;;-1.06;;-3.82;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM450402;MM450402;CON=CON=CNC=O;CZCIABHLODLGHZ-UHFFFAOYSA-N;145.12;-0.72;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_P3";;;;;;;-1.1;;-4.2;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM450403;MM450403;O=c1ccoc(C2CO2)n1;ZBPAQXPCBCICMI-UHFFFAOYSA-N;139.11;0.11;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP2_SP1";;;;;;;-1.06;;-3.82;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM450404;MM450404;C#CC=CCCC=CCC;YFEYWDMTYYSNAI-UHFFFAOYSA-N;134.22;2.92;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1_C4";;;;;;;4.24;;0.42;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM450405;MM450405;N=c1ncoc(C2CO2)n1;IXMQYUSBLUUWRF-UHFFFAOYSA-N;139.11;-0.38;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP3_SP1";;;;;;;-1.93;;-4.72;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM450406;MM450406;C#CC=CCCC=CCN;PAJCSHKSJKIZFW-UHFFFAOYSA-N;135.21;1.47;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1_C2";;;;;;;2;;-0.88;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM450407;MM450407;O=c1ncoc(C2CO2)n1;NWDXQOXWYNQJPL-UHFFFAOYSA-N;140.1;-0.5;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP3_SP1";;;;;;;-1.93;;-4.72;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM450408;MM450408;C#CC=CCCC=NNC;IVDBVNRLEKZJDO-UHFFFAOYSA-N;136.2;1.16;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_C2";;;;;;;1.72;;0.27;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM450409;MM450409;N=c1nnoc(C2CO2)n1;QMHIXIMCMOSVBI-UHFFFAOYSA-N;140.1;-0.98;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP3_SP1";;;;;;;-1.93;;-4.72;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM450410;MM450410;C#CC=CCCC=NOC;DTHJTSIFKCSFCX-UHFFFAOYSA-N;137.18;1.59;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_C4";;;;;;;2.2;;0.34;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM450411;MM450411;O=c1ccoc(N2CC2)c1;UZBHKXIPFRTOJH-UHFFFAOYSA-N;137.14;0.46;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP1_SP2";;;;;;;-1.06;;-3.82;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM450412;MM450412;C#CC=NNCC=CCC;ZIGZYVXMUJSRIV-UHFFFAOYSA-N;136.2;1.16;;;;;DOPC;MDCG;27;0;"MARTINI bead: C3_P1";;;;;;;1.74;;0.29;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM450413;MM450413;O=c1cc(N2CC2)ocn1;DPRFMBSSTQODKG-UHFFFAOYSA-N;138.13;-0.15;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP2_SP2";;;;;;;-1.34;;-4.31;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM450414;MM450414;C#CC=NNCC=COC;ANWYYUQWLQVUJU-UHFFFAOYSA-N;138.17;0.36;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_P1";;;;;;;0.81;;-0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM450415;MM450415;O=c1cc(N2CC2)onn1;SLVZOOILTJJUCX-UHFFFAOYSA-N;139.11;-0.75;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP2_SP2";;;;;;;-1.34;;-4.31;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM450416;MM450416;C#CC=COCC=CCO;PSCTUTHNEMFHTG-UHFFFAOYSA-N;138.17;0.7;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_C5";;;;;;;0.81;;-0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM450417;MM450417;N=c1ccoc(N2CC2)n1;IUCRKGDQSAFFOV-UHFFFAOYSA-N;137.14;-0.03;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP2_SP2";;;;;;;-1.34;;-4.31;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM450418;MM450418;C#CC=COCC=CCF;SEIUSSMJPXRESI-UHFFFAOYSA-N;140.16;1.68;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_C5";;;;;;;2.41;;0.64;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM450419;MM450419;O=c1ccoc(N2CC2)n1;OPDWUAWKHRDHSY-UHFFFAOYSA-N;138.13;-0.15;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP2_SP2";;;;;;;-1.34;;-4.31;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM450420;MM450420;C#CC=COCC=NNC;OXQMQWMYKMMYCQ-UHFFFAOYSA-N;138.17;0.36;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nd_Na";;;;;;;0.87;;-1.88;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM450421;MM450421;N=c1ncoc(N2CC2)n1;RCWKHZSTLBXQCU-UHFFFAOYSA-N;138.13;-0.63;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP3_SP2";;;;;;;-2.2;;-5.19;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM450422;MM450422;C#CC=COCC=NOC;ONFRZJDIHOFYOA-UHFFFAOYSA-N;139.15;0.78;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_Na";;;;;;;0.87;;-2.22;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM450423;MM450423;O=c1ncoc(N2CC2)n1;QTTOCCDXZVKSHY-UHFFFAOYSA-N;139.11;-0.75;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP3_SP2";;;;;;;-2.2;;-5.19;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM450424;MM450424;C#CC=NOCC=CCC;IBPXMXFVARQLFZ-UHFFFAOYSA-N;137.18;1.59;;;;;DOPC;MDCG;27;0;"MARTINI bead: C3_Na";;;;;;;2.57;;0.45;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM450425;MM450425;O=c1nnoc(N2CC2)n1;UFHPVNKTUUFKQR-UHFFFAOYSA-N;140.1;-1.36;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP3_SP2";;;;;;;-2.2;;-5.19;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM450426;MM450426;CCCC(=O)CCN1CC1;OTJVCLARNJTDBU-UHFFFAOYSA-N;141.21;1.06;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_SP1";;;;;;;0.04;;-2.54;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM450427;MM450427;O=c1cc(C2CC2)cco1;LCXDYYDBTUPDST-UHFFFAOYSA-N;136.15;1.52;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNa_SC5";;;;;;;1.64;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM450428;MM450428;C#CC=NOCC=COC;VDZRGCKLGGXPCZ-UHFFFAOYSA-N;139.15;0.78;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_Na";;;;;;;0.87;;-2.22;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM450429;MM450429;O=c1cc(C2CC2)nco1;UOMFYWOHSNJXPX-UHFFFAOYSA-N;137.14;0.91;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP2_SC5";;;;;;;0.54;;-1.09;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM450430;MM450430;C#CC=NOCC=NOC;BCWKPYSPGIJHLF-UHFFFAOYSA-N;140.14;0.25;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_N0";;;;;;;0.34;;-1.53;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM450431;MM450431;O=c1cc(C2CN2)cco1;OEIGWSWYRQNNHR-UHFFFAOYSA-N;137.14;0.28;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNa_SP2";;;;;;;-0.24;;-3.24;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM450432;MM450432;C#CC=CCNN=CCC;LKIWISHOPQDNAR-UHFFFAOYSA-N;136.2;1.16;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nd_C4";;;;;;;2.2;;0.32;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM450433;MM450433;O=c1cc(C2CN2)nco1;NKOYOZIWPAFUIK-UHFFFAOYSA-N;138.13;-0.32;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP2_SP2";;;;;;;-1.34;;-4.31;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM450434;MM450434;C#CC=CCOC=CCN;OEHPTINAQMAXOL-UHFFFAOYSA-N;137.18;0.66;;;;;DOPC;MDCG;27;1;"MARTINI bead: P2_C4";;;;;;;1.09;;-2.51;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM450435;MM450435;O=c1cc(C2CN2)nno1;QWPWIMQERZFWHM-UHFFFAOYSA-N;139.11;-0.93;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP2_SP2";;;;;;;-1.34;;-4.31;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM450436;MM450436;C#CC=CCOC=CCO;VGSJQYUPXMOFQO-UHFFFAOYSA-N;138.17;0.7;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_C4";;;;;;;1.09;;-0.38;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM450437;MM450437;N=c1nc(C2CN2)cco1;BVWVELFFEMTQCA-UHFFFAOYSA-N;137.14;-0.2;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP1_SP2";;;;;;;-1.06;;-3.82;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM450438;MM450438;C#CC=CCOC=COC;IUVYMCDVENXMAY-UHFFFAOYSA-N;138.17;1.31;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_C4";;;;;;;1.37;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM450439;MM450439;N=c1nc(C2CN2)nco1;YSVGTODTZZIWMN-UHFFFAOYSA-N;138.13;-0.81;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP3_SP2";;;;;;;-2.2;;-5.19;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM450440;MM450440;C#CC=CCOC=NOC;NUSLVBRQZUVZMU-UHFFFAOYSA-N;139.15;0.78;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_C4";;;;;;;1.09;;-0.38;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM450441;MM450441;O=c1nc(C2CN2)nco1;UOKKLTLRJLMGFM-UHFFFAOYSA-N;139.11;-0.93;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP3_SP2";;;;;;;-2.2;;-5.19;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM450442;MM450442;C#CC=CCON=CCC;KSFCGIMXDHIQKY-UHFFFAOYSA-N;137.18;1.59;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_N0";;;;;;;1.17;;-1.18;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM450443;MM450443;O=c1cc(C2CO2)cco1;CBNRIPJGGUVCHE-UHFFFAOYSA-N;138.12;0.71;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNa_SP1";;;;;;;0.04;;-2.54;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM450444;MM450444;O=CC=C1C=CNN1;LJMMBQRHEDNECQ-UHFFFAOYSA-N;110.12;-0.31;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP2_SP2";;;;;;;-1.34;;-4.31;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM450445;MM450445;O=c1cc(C2CO2)nco1;MERGTTAXOYHTHO-UHFFFAOYSA-N;139.11;0.11;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP2_SP1";;;;;;;-1.06;;-3.82;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM450446;MM450446;C=CC(C)(C#N)NN=C;HQTGZQSWEUCWOH-UHFFFAOYSA-N;123.16;0.66;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_P1";;;;;;;0.81;;-0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM450447;MM450447;O=c1cc(C2CO2)nno1;MVVVJJQLXNOQSO-UHFFFAOYSA-N;140.1;-0.5;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP2_SP1";;;;;;;-1.06;;-3.82;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM450448;MM450448;C#CC=CCON=COC;QPDGAZACDDITGY-UHFFFAOYSA-N;139.15;0.78;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_N0";;;;;;;1.17;;-1.18;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM450449;MM450449;N=c1nc(C2CO2)cco1;ZJEOXYXBUOTTTJ-UHFFFAOYSA-N;138.13;0.23;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP1_SP1";;;;;;;-0.79;;-3.13;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM450450;MM450450;C=CC=CCCC=CC=O;JXZQUEAFRZRXCE-UHFFFAOYSA-N;136.19;2.26;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1_Na";;;;;;;2.91;;0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM450451;MM450451;O=c1cc(N2CC2)cco1;HQIJVAIAXLEZBS-UHFFFAOYSA-N;137.14;0.46;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNa_SP2";;;;;;;-0.24;;-3.24;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM450452;MM450452;C=NN=CCCC=NN=C;FTQZEMAMNPRASO-UHFFFAOYSA-N;138.17;1.14;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_C5";;;;;;;2.41;;0.64;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM450453;MM450453;O=c1cc(N2CC2)nco1;MHFJZXWROSTYNN-UHFFFAOYSA-N;138.13;-0.15;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP2_SP2";;;;;;;-1.34;;-4.31;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM450454;MM450454;N#CC=CCNC=CC#N;YUKIAVGFXODTJL-UHFFFAOYSA-N;133.15;0.69;;;;;DOPC;MDCG;27;0;"MARTINI bead: N0_P1";;;;;;;0.34;;-1.53;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM450455;MM450455;N=c1nc(N2CC2)cco1;CYBOXTKKZZDFAE-UHFFFAOYSA-N;137.14;-0.03;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP1_SP2";;;;;;;-1.06;;-3.82;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM450456;MM450456;C=NN=CCNC=CC=O;CLSJDQFVHGTXIU-UHFFFAOYSA-N;139.16;-0.03;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_P2";;;;;;;0.54;;-1.09;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM450457;MM450457;N=c1nc(N2CC2)nco1;FSDULUBWSFVRHD-UHFFFAOYSA-N;138.13;-0.63;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP3_SP2";;;;;;;-2.2;;-5.19;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM450458;MM450458;C=NN=CCNC=CC#N;CETVUSPIRLJQSN-UHFFFAOYSA-N;136.16;0.3;;;;;DOPC;MDCG;27;0;"MARTINI bead: N0_Nd";;;;;;;1.17;;-1.04;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM450459;MM450459;N#CC=C1CC2CN2C1=N;IITLNBPWLLJPQN-UHFFFAOYSA-N;133.15;0.5;;;;;DOPC;MDCG;27;1;"MARTINI bead: SP1_SP1";;;;;;;-0.79;;-5.36;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM450460;MM450460;C#CC=C1CC2CN2C1=N;NXBMTSIHXFTTLO-UHFFFAOYSA-N;132.17;0.61;;;;;DOPC;MDCG;27;1;"MARTINI bead: SP1_SN0";;;;;;;0.34;;-4.22;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM450461;MM450461;C=C1C(N)=CC(=O)N1N;UPPCTVSOOFHOTP-UHFFFAOYSA-N;125.13;-0.94;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP2_SP1";;;;;;;-1.06;;-3.82;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM450462;MM450462;CC1CC(CC2CO2)N1C;GGFVMMCRHHSXIW-UHFFFAOYSA-N;141.21;0.87;;;;;DOPC;MDCG;27;1;"MARTINI bead: SNd_SNa";;;;;;;0.87;;-3.95;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM450463;MM450463;C=CC=CCNN=CC=C;FUFJGQUNULGFCI-UHFFFAOYSA-N;136.2;1.49;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1_Nd";;;;;;;2.91;;0.63;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM450464;MM450464;CCC1C(C)C1C1CC1C;CGTGXDYIYXKHRO-UHFFFAOYSA-N;138.25;2.93;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC3_SC5";;;;;;;3.34;;0.48;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM450465;MM450465;CC(=O)C=C(N)N1CC1;IJZYXZYINRAZGU-UHFFFAOYSA-N;126.16;-0.31;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_SP2";;;;;;;-1.06;;-3.82;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM450466;MM450466;C=CC=NNCC=CC=O;OJQHSDSQLULJQL-UHFFFAOYSA-N;138.17;0.5;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nd_Na";;;;;;;0.87;;-1.88;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM450467;MM450467;CC1CC1C1C(C)C1CN;HWHFFKQXQGHXIC-UHFFFAOYSA-N;139.24;1.48;;;;;DOPC;MDCG;27;1;"MARTINI bead: SC5_SNd";;;;;;;1.64;;-2.69;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM450468;MM450468;N#CC=NNCC=CC=O;WGVQURMUPBDKPE-UHFFFAOYSA-N;137.14;-0.16;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_Nd";;;;;;;0.87;;-1.88;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM450469;MM450469;CCC1C(O)C1C1CC1O;RWAFLMRCGIYJBY-UHFFFAOYSA-N;142.2;0.38;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNda_SP1";;;;;;;0.04;;-2.73;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM450470;MM450470;N#CC=CCNN=CC#N;HVHMGWMMCJEIBO-UHFFFAOYSA-N;134.14;0.17;;;;;DOPC;MDCG;27;0;"MARTINI bead: N0_Nd";;;;;;;1.17;;-1.04;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM450471;MM450471;CNC1C(C)C1C1CC1O;QEQGJWYPIIJDCQ-UHFFFAOYSA-N;141.21;0.22;;;;;DOPC;MDCG;27;1;"MARTINI bead: SNd_SP1";;;;;;;0.04;;-5.24;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM450472;MM450472;C=CC=NNCC=NN=C;VHLADIPECKTYNY-UHFFFAOYSA-N;138.17;0.43;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nd_N0";;;;;;;1.17;;-1.04;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM450473;MM450473;CCC1C(O)C1C1OC1C;PAKMOUUBDRWFON-UHFFFAOYSA-N;142.2;0.79;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNda_SNa";;;;;;;0.87;;-1.99;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM450474;MM450474;Cn1c(N)nnc1C#N;RZONBBBPBAASFP-UHFFFAOYSA-N;123.12;-0.73;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP2_SP1";;;;;;;-1.06;;-3.82;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM450475;MM450475;CNC1C(C)C1C1CN1C;LDBUOQRHDUZRES-UHFFFAOYSA-N;140.23;0.15;;;;;DOPC;MDCG;27;1;"MARTINI bead: SNd_SP1";;;;;;;0.04;;-5.17;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM450476;MM450476;C=NN=CCNN=CC#N;FUTLAFGCALUMNY-UHFFFAOYSA-N;137.15;-0.23;;;;;DOPC;MDCG;27;0;"MARTINI bead: N0_Nd";;;;;;;1.17;;-1.04;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM450477;MM450477;CC1CC1C1C(CN)N1C;WIXHSHOYVSTEIU-UHFFFAOYSA-N;140.23;0.28;;;;;DOPC;MDCG;27;1;"MARTINI bead: SC5_SP2";;;;;;;0.54;;-3.01;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM450478;MM450478;C=CC=COCC=CC#N;WCDKFJMVADAWED-UHFFFAOYSA-N;135.17;1.78;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_N0";;;;;;;1.17;;-1.18;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM450479;MM450479;CC1NC1C1C(CN)N1C;CCFAIHBCFYLXQN-UHFFFAOYSA-N;141.22;-1.01;;;;;DOPC;MDCG;27;1;"MARTINI bead: SP1_SP2";;;;;;;-1.06;;-5.76;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM450480;MM450480;N#CC=COCC=CC=O;ATBMAKVCCLCRMS-UHFFFAOYSA-N;137.14;0.8;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_Na";;;;;;;0.87;;-2.22;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM450481;MM450481;CC1CC1N1C(C)C1CF;GUTHVHDBWQXLDF-UHFFFAOYSA-N;143.21;1.44;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNd_SNa";;;;;;;0.87;;-1.88;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM450482;MM450482;C=NN=COCC=CC#N;XVZREHLMFGZJKZ-UHFFFAOYSA-N;137.14;0.73;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_N0";;;;;;;1.17;;-1.18;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM450483;MM450483;C=CC1C(C)C1C1CC1C;JQJJJTKQXYUMBD-UHFFFAOYSA-N;136.24;2.71;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC5_SC4";;;;;;;2.97;;0.45;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM450484;MM450484;C=CC=COCC=NN=C;OXHCTBFRIOGYEH-UHFFFAOYSA-N;138.17;1.39;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_C5";;;;;;;1.64;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM450485;MM450485;C=CC1C(N)C1C1NC1C;VBAYJDFJKRQPJX-UHFFFAOYSA-N;138.21;0.11;;;;;DOPC;MDCG;27;1;"MARTINI bead: SP1_SNd";;;;;;;0.04;;-4.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM450486;MM450486;C=NN=CCOC=CC=O;VJFPNUJEOLTGEO-UHFFFAOYSA-N;140.14;0.4;;;;;DOPC;MDCG;27;0;"MARTINI bead: N0_Na";;;;;;;1.17;;-1.18;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM450487;MM450487;C=CC1C(C)C1C1OC1C;BMBBHLHWYPUSJY-UHFFFAOYSA-N;138.21;1.84;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNa_SC4";;;;;;;2.2;;0.34;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM450488;MM450488;C=NN=CCOC=CC#N;LPGBMNFERSFQIN-UHFFFAOYSA-N;137.14;0.73;;;;;DOPC;MDCG;27;0;"MARTINI bead: N0_Na";;;;;;;1.17;;-1.18;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM450489;MM450489;C=CC1C(N)C1C1CN1C;KXKHPNHDZUMZKF-UHFFFAOYSA-N;138.21;0.06;;;;;DOPC;MDCG;27;1;"MARTINI bead: SP1_SNd";;;;;;;0.04;;-4.89;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM450490;MM450490;C=NN=CCOC=NN=C;NWZXFQSUQDLPTH-UHFFFAOYSA-N;140.15;0.33;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_P1";;;;;;;0.81;;-0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM450491;MM450491;CC(N)=CC(=O)N(C)C;WGESBYMATFUDPF-UHFFFAOYSA-N;128.18;-0.06;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_Nd";;;;;;;-0.24;;-3.16;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM450492;MM450492;C=CC=CCON=CC=C;HGRSEUJPGWVTQY-UHFFFAOYSA-N;137.18;1.92;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4_Na";;;;;;;2.2;;0.34;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM450493;MM450493;C=CC1C(C2CN2C)N1C;RAHZKOSZVSOJBY-UHFFFAOYSA-N;138.21;0.17;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP1_SNd";;;;;;;0.04;;-2.63;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM450494;MM450494;C=CC=NOCC=CC=O;ZLJHWCIDPOZJGI-UHFFFAOYSA-N;139.15;0.93;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_Na";;;;;;;0.87;;-2.22;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM450495;MM450495;CC1CC1C1C(C)N1C=N;DCNUCKOPZVXQLA-UHFFFAOYSA-N;138.21;1.32;;;;;DOPC;MDCG;27;1;"MARTINI bead: SC5_SP1";;;;;;;0.81;;-3.37;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM450496;MM450496;N#CC=NOCC=CC=O;LKMFQRCUZRXCQM-UHFFFAOYSA-N;138.13;0.27;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_Na";;;;;;;0.87;;-2.22;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM450497;MM450497;CC1CC1C1C(C)N1C=O;VYPGSWVNORZARA-UHFFFAOYSA-N;139.2;0.87;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC5_SP1";;;;;;;0.81;;-0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM450498;MM450498;C=CC=NOCC=NN=C;SXGOQSKTKREMMD-UHFFFAOYSA-N;139.16;0.86;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_C5";;;;;;;1.64;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM450499;MM450499;CC1C(C2CC2N)N1C=N;AQHLWWMRWDYIFY-UHFFFAOYSA-N;139.2;0.01;;;;;DOPC;MDCG;27;1;"MARTINI bead: SP1_SP1";;;;;;;-0.79;;-6.02;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM450500;MM450500;C=NN=CCON=CC#N;FYRPQQNKTKJVIS-UHFFFAOYSA-N;138.13;0.2;;;;;DOPC;MDCG;27;0;"MARTINI bead: N0_Na";;;;;;;1.17;;-1.18;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM450501;MM450501;CC1C(C2CC2N)N1C=O;UTZGBLITYQXFRS-UHFFFAOYSA-N;140.19;-0.44;;;;;DOPC;MDCG;27;1;"MARTINI bead: SP1_SP1";;;;;;;-0.79;;-5.33;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM450502;MM450502;COC1(C#N)C=NNC1;JGOPPVXLPKMREU-UHFFFAOYSA-N;125.13;-0.52;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP1_SP1";;;;;;;-0.79;;-3.13;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM450503;MM450503;CC1C(C2CC2O)N1C=O;OWTJFFSEAQVFFY-UHFFFAOYSA-N;141.17;-0.4;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP1_SP1";;;;;;;-0.79;;-3.13;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM450504;MM450504;CCC(=O)CCN1CC1;QDMCDMOWJOQWQT-UHFFFAOYSA-N;127.19;0.67;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_SP1";;;;;;;0.04;;-2.54;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM450505;MM450505;CC1C(C2CC2F)N1C=N;VRZVHVQXOYBYTO-UHFFFAOYSA-N;142.18;1.02;;;;;DOPC;MDCG;27;1;"MARTINI bead: SNa_SP1";;;;;;;0.04;;-5.36;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM450506;MM450506;C#CC=CCCC=CC=C;CKXGZSCEAJZKRP-UHFFFAOYSA-N;132.21;2.7;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4_C2";;;;;;;4.16;;0.44;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM450507;MM450507;CC1C(C2CC2F)N1C=O;LEVJCAUHUHMWPJ-UHFFFAOYSA-N;143.16;0.57;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNa_SP1";;;;;;;0.04;;-2.54;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM450508;MM450508;C#CC=CCCC=CC=O;BKAWBQAXIMEWOH-UHFFFAOYSA-N;134.18;1.71;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_C4";;;;;;;2.2;;0.34;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM450509;MM450509;C=NN1C(C)C1C1CC1C;BFAQLPVJAMHQPF-UHFFFAOYSA-N;138.21;1.33;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC5_SP1";;;;;;;0.81;;-0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM450510;MM450510;C#CC=CCCC=CC#N;SQAGJBHFFRPKTG-UHFFFAOYSA-N;131.18;2.04;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4_N0";;;;;;;2.5;;0.44;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM450511;MM450511;C=NN1C(C)C1C1CC1N;XSPWQAJGGKJWMW-UHFFFAOYSA-N;139.2;0.02;;;;;DOPC;MDCG;27;1;"MARTINI bead: SP1_SP1";;;;;;;-0.79;;-5.43;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM450512;MM450512;C#CC=CCCC=NN=C;KBWQZHZURUSPJK-UHFFFAOYSA-N;134.18;1.64;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_C4";;;;;;;2.97;;0.45;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM450513;MM450513;N=C(C=O)NCC(F)F;PVFMMBIHRFCLNM-UHFFFAOYSA-N;136.1;0.02;;;;;DOPC;MDCG;27;0;"MARTINI bead: N0_P3";;;;;;;-0.8;;-2.99;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM450514;MM450514;C#CC=NNCC=NN=C;RAOQDAJEKXJJMR-UHFFFAOYSA-N;136.16;-0.12;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_P1";;;;;;;0.81;;-0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM450515;MM450515;C=NN1C(C)C1C1CC1F;MRDWWRNQMKJGHF-UHFFFAOYSA-N;142.18;1.03;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNa_SP1";;;;;;;0.04;;-2.54;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM450516;MM450516;C#CC=COCC=CC=O;BSQIMLDEMWGYPG-UHFFFAOYSA-N;136.15;0.91;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_N0";;;;;;;1.17;;-1.18;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM450517;MM450517;CC1OC1C1C(C)N1C=N;GFTPPAYDQDACCP-UHFFFAOYSA-N;140.19;0.45;;;;;DOPC;MDCG;27;1;"MARTINI bead: SNa_SP1";;;;;;;0.04;;-4.76;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM450518;MM450518;C#CC=COCC=NN=C;VBLDJNBKWPJYTQ-UHFFFAOYSA-N;136.15;0.84;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_Na";;;;;;;1.64;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM450519;MM450519;CC1OC1C1C(C)N1C=O;MCZRTAMWFAZYHU-UHFFFAOYSA-N;141.17;;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNa_SP1";;;;;;;0.04;;-2.54;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM450520;MM450520;C#CC=NOCC=CC=C;ZLDXWLPTKPQMBS-UHFFFAOYSA-N;135.17;1.36;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4_Na";;;;;;;2.2;;0.34;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM450521;MM450521;C=NN1C(C)C1C1OC1C;RAPYYVQHHSVCOA-UHFFFAOYSA-N;140.19;0.46;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNa_SP1";;;;;;;0.04;;-2.54;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM450522;MM450522;C#CC=NOCC=CC#N;OXQLHPDVYNYKFQ-UHFFFAOYSA-N;134.14;0.7;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_N0";;;;;;;1.17;;-1.18;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM450523;MM450523;CC1C(C2CN2C)N1C=N;WEAWOKAQBVJRSX-UHFFFAOYSA-N;139.2;-0.02;;;;;DOPC;MDCG;27;1;"MARTINI bead: SP1_SP1";;;;;;;-0.79;;-5.67;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM450524;MM450524;C#CC=NOCC=NN=C;USKCIWJEQNKHGS-UHFFFAOYSA-N;137.14;0.31;;;;;DOPC;MDCG;27;0;"MARTINI bead: N0_Na";;;;;;;1.17;;-1.18;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM450525;MM450525;CC1C(C2CN2C)N1C=O;ILGGXARICHYECA-UHFFFAOYSA-N;140.19;-0.47;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP1_SP1";;;;;;;-0.79;;-3.13;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM450526;MM450526;C#CC=CCNC=CC#N;YGZJLUPCEFLLCD-UHFFFAOYSA-N;132.17;0.8;;;;;DOPC;MDCG;27;0;"MARTINI bead: N0_Nd";;;;;;;1.17;;-1.04;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM450527;MM450527;C=NN1C(C)C1C1CN1C;JAOLTCVFLSPXMI-UHFFFAOYSA-N;139.2;-0.01;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP1_SP1";;;;;;;-0.79;;-3.13;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM450528;MM450528;C#CC=CCN=CNC=N;CVEZGJWDIKKSKN-UHFFFAOYSA-N;135.17;0.4;;;;;DOPC;MDCG;27;1;"MARTINI bead: P4_C4";;;;;;;0.15;;-4.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM450529;MM450529;COCC(=O)C1(C)CN1;ICLKILGPQZDSAF-UHFFFAOYSA-N;129.16;-0.44;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_SP1";;;;;;;-0.79;;-3.13;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM450530;MM450530;C#CC1C(C)C1C1CC1C;RBNIIYADZLMNJY-UHFFFAOYSA-N;134.22;2.16;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC5_SC5";;;;;;;2.41;;0.64;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM450531;MM450531;C#CC=CCN=CNC=O;WXSWSCXVBMPYHU-UHFFFAOYSA-N;136.15;-0.05;;;;;DOPC;MDCG;27;0;"MARTINI bead: P4_C4";;;;;;;0.15;;-2.18;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM450532;MM450532;C#CC1C(C)C1C1CC1N;XSHIQUCXQZOYRE-UHFFFAOYSA-N;135.21;0.85;;;;;DOPC;MDCG;27;1;"MARTINI bead: SC5_SP1";;;;;;;0.81;;-3.11;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM450533;MM450533;C#CC=CCNN=CC=C;DVMSHWFIDPIQLK-UHFFFAOYSA-N;134.18;0.94;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nd_N0";;;;;;;1.17;;-1.04;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM450534;MM450534;C#CC1C(N)C1C1CC1O;HNHBQJIHKNEIMY-UHFFFAOYSA-N;137.18;-0.43;;;;;DOPC;MDCG;27;1;"MARTINI bead: SP1_SP1";;;;;;;-0.79;;-5.12;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM450535;MM450535;C#CC=CCON=CC=C;UNOMKOREVNJLGK-UHFFFAOYSA-N;135.17;1.36;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_N0";;;;;;;1.17;;-1.18;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM450536;MM450536;C#CC1C(C2CC2N)N1C;GYLBCEYNFKSALJ-UHFFFAOYSA-N;136.2;-0.35;;;;;DOPC;MDCG;27;1;"MARTINI bead: SP1_SP1";;;;;;;-0.79;;-5.43;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM450537;MM450537;C#CC=CCON=CC#N;ZEZBVHZCLJVTGW-UHFFFAOYSA-N;134.14;0.7;;;;;DOPC;MDCG;27;0;"MARTINI bead: N0_Na";;;;;;;1.17;;-1.18;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM450538;MM450538;C#CC1C(C2OC2C)N1C;FAXQGYPFJBGWLW-UHFFFAOYSA-N;137.18;0.09;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNa_SP1";;;;;;;0.04;;-2.54;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM450539;MM450539;C#CC=CCCC=CC#C;YHOWFBQVPZCEEQ-UHFFFAOYSA-N;130.19;2.15;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4_C4";;;;;;;3.53;;0.53;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM450540;MM450540;C#CC1C(C)N1C1CC1N;RUYHAELXUIPPSC-UHFFFAOYSA-N;136.2;-0.21;;;;;DOPC;MDCG;27;1;"MARTINI bead: SP2_SP3";;;;;;;-2.2;;-6.95;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM450541;MM450541;C#CC=CCNN=CC#C;INUNHYIOANWZML-UHFFFAOYSA-N;132.17;0.38;;;;;DOPC;MDCG;27;0;"MARTINI bead: N0_Nd";;;;;;;1.17;;-1.04;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM450542;MM450542;NC1CC1C1NC1CCO;NPSVKQKQLZOYNU-UHFFFAOYSA-N;142.2;-0.94;;;;;DOPC;MDCG;27;1;"MARTINI bead: SP1_SP2";;;;;;;-1.06;;-6.12;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM450543;MM450543;C#CC=CCON=CC#C;WWXDJEDORIIAPG-UHFFFAOYSA-N;133.15;0.81;;;;;DOPC;MDCG;27;0;"MARTINI bead: N0_N0";;;;;;;1.47;;-0.05;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM450544;MM450544;CCCC1OC1C1CC1C;OBBLNLOSJDIHIO-UHFFFAOYSA-N;140.23;2.21;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNa_SC5";;;;;;;1.64;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM450545;MM450545;CCC#CCCC=CCC;ZYROGUYLDABUTA-UHFFFAOYSA-N;136.24;3.15;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1_C3";;;;;;;4.61;;0.31;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM450546;MM450546;CC1CC1C1OC1CCN;MDMMQSUXNNZQME-UHFFFAOYSA-N;141.21;0.76;;;;;DOPC;MDCG;27;1;"MARTINI bead: SC5_SP1";;;;;;;0.81;;-3.2;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM450547;MM450547;CCC=CCCC#CCN;NLZYPUIFMVRMRC-UHFFFAOYSA-N;137.23;1.69;;;;;DOPC;MDCG;27;1;"MARTINI bead: C1_Nd";;;;;;;2.91;;0.38;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM450548;MM450548;CC1CC1C1CN1CCN;BRNGSZDPHYGCEQ-UHFFFAOYSA-N;140.23;0.29;;;;;DOPC;MDCG;27;1;"MARTINI bead: SC5_SP2";;;;;;;0.54;;-3.04;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM450549;MM450549;CCC=CCCC#CCO;RTQCZAFHFWNHAH-UHFFFAOYSA-N;138.21;1.73;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1_P2";;;;;;;1.8;;0.4;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM450550;MM450550;NCCC1CN1C1CC1N;OQDLMSMIESJGMU-UHFFFAOYSA-N;141.22;-0.88;;;;;DOPC;MDCG;27;1;"MARTINI bead: SP2_SP3";;;;;;;-2.2;;-7.67;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM450551;MM450551;CCC=CCCC#CCF;AGLYVGGDHWTMOR-UHFFFAOYSA-N;140.2;2.71;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1_Na";;;;;;;2.91;;0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM450552;MM450552;C=CCC1CC1C1CC1C;GEONUNOGHLNBMB-UHFFFAOYSA-N;136.24;2.85;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC5_SC4";;;;;;;2.97;;0.45;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM450553;MM450553;NCC#CCCC=CCN;BADXKOXRUPWMDQ-UHFFFAOYSA-N;138.21;0.24;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_Nd";;;;;;;0.87;;-4.44;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM450554;MM450554;CC1CC1C1CC1CC#N;LSKFEFKILBZAHW-UHFFFAOYSA-N;135.21;2.19;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC5_SC5";;;;;;;2.41;;0.64;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM450555;MM450555;NCC=CCCC#CCO;TWAOOBNFMXSTJR-UHFFFAOYSA-N;139.2;0.28;;;;;DOPC;MDCG;27;1;"MARTINI bead: C5_P2";;;;;;;0.54;;-3.32;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM450556;MM450556;CC1OC1C1CC1CC#N;KHYFOVGQTMTBIE-UHFFFAOYSA-N;137.18;1.32;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNa_SC5";;;;;;;1.64;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM450557;MM450557;CCC#CCCC=CCO;GCHDQCPHFXQAAV-UHFFFAOYSA-N;138.21;1.73;;;;;DOPC;MDCG;27;0;"MARTINI bead: C3_Nda";;;;;;;2.57;;0.44;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM450558;MM450558;CC1CC1C1NC1CC#N;AHNQQXAQTWQCMP-UHFFFAOYSA-N;136.2;0.9;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC5_SP2";;;;;;;0.54;;-1.09;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM450559;MM450559;NCC#CCCC=CCO;QERICVMDVKMBEA-UHFFFAOYSA-N;139.2;0.28;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_Nda";;;;;;;0.87;;-3.43;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM450560;MM450560;C=CCC1OC1C1CC1C;OOKXNOUENQAXEE-UHFFFAOYSA-N;138.21;1.99;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC5_SNa";;;;;;;1.64;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM450561;MM450561;OCC#CCCC=CCO;SQGRAVPXHXYETR-UHFFFAOYSA-N;140.18;0.31;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_P2";;;;;;;0.54;;-1.09;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM450562;MM450562;CC1CC1C1OC1CC=O;OLJFXODRKYHXOJ-UHFFFAOYSA-N;140.18;1;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC5_SP1";;;;;;;0.81;;-0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM450563;MM450563;CCC#CCCC=CCF;UVWBSOHEIWFHSJ-UHFFFAOYSA-N;140.2;2.71;;;;;DOPC;MDCG;27;0;"MARTINI bead: C3_C4";;;;;;;3.9;;0.47;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM450564;MM450564;CC1CC1C1OC1CC#N;ZKJXYPMTHCDYHH-UHFFFAOYSA-N;137.18;1.32;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC5_SNa";;;;;;;1.64;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM450565;MM450565;NCC#CCCC=CCF;WFHDXNPMGCALTD-UHFFFAOYSA-N;141.19;1.25;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_C4";;;;;;;2.2;;-0.94;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM450566;MM450566;CC1CC1C1CN1CC#N;WXXCICPLOFKCFA-UHFFFAOYSA-N;136.2;0.85;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC5_SP1";;;;;;;0.81;;-0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM450567;MM450567;CNN=CCCC#CCN;VVYBPSWDNIEPOL-UHFFFAOYSA-N;139.2;-0.07;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_Nd";;;;;;;0.87;;-3.62;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM450568;MM450568;C#CCC1CC1C1CC1C;NVXIBUCSRLZTCP-UHFFFAOYSA-N;134.22;2.3;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC5_SC4";;;;;;;2.97;;0.45;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM450569;MM450569;CNN=CCCC#CCF;UBXQUJBEUNONRO-UHFFFAOYSA-N;142.18;0.94;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nd_Na";;;;;;;0.87;;-1.88;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM450570;MM450570;C#CCC1CC1C1CC1N;QTLKHBMMWOOXDJ-UHFFFAOYSA-N;135.21;0.99;;;;;DOPC;MDCG;27;1;"MARTINI bead: SP1_SC4";;;;;;;1.37;;-2.57;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM450571;MM450571;C#CCC1CC1C1OC1C;KBEDWFBBGAVOMZ-UHFFFAOYSA-N;136.19;1.43;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNa_SC4";;;;;;;2.2;;0.34;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM450572;MM450572;CCC#CCCC=NOC;JXULIIHAWAROMT-UHFFFAOYSA-N;139.2;1.81;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1_P1";;;;;;;2.08;;0.48;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM450573;MM450573;C#CCC1NC1C1CC1N;XXUWDYJFWGHOSY-UHFFFAOYSA-N;136.2;-0.3;;;;;DOPC;MDCG;27;1;"MARTINI bead: SP1_SP1";;;;;;;-0.79;;-5.43;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM450574;MM450574;CON=CCCC#CCN;ZCCOFDQETNTIIM-UHFFFAOYSA-N;140.19;0.36;;;;;DOPC;MDCG;27;1;"MARTINI bead: Na_Nd";;;;;;;0.87;;-3.39;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM450575;MM450575;C#CCC1OC1C1CC1C;HAMJBNQIVHTTFH-UHFFFAOYSA-N;136.19;1.43;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC5_SNa";;;;;;;1.64;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM450576;MM450576;CCN(C)C=C(C)C(C)=O;RRYAMJFSTHZUSD-UHFFFAOYSA-N;141.21;1.43;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nd_Na";;;;;;;0.87;;-1.88;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM450577;MM450577;C#CCN1CC1C1CC1C;DAQOOIRZSNSBFX-UHFFFAOYSA-N;135.21;0.96;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC5_SNd";;;;;;;1.64;;0.03;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM450578;MM450578;CCC#CCNC=NCC;NZHWWNWMSYXSLV-UHFFFAOYSA-N;138.21;1.04;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_C3";;;;;;;2.57;;-0.73;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM450579;MM450579;CON=CNCC#CCN;MHZVOEVTGDBNET-UHFFFAOYSA-N;141.17;-0.87;;;;;DOPC;MDCG;27;1;"MARTINI bead: P2_Nd";;;;;;;-0.24;;-4.31;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM450580;MM450580;CC=CC1CC1C1CC1C;ZZNMNELBBFQJQO-UHFFFAOYSA-N;136.24;2.85;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC3_SC5";;;;;;;3.34;;0.48;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM450581;MM450581;CCC#CCNN=CCC;LUIKGDRDQKIORG-UHFFFAOYSA-N;138.21;1.39;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nd_C3";;;;;;;2.57;;0.53;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM450582;MM450582;CC=CC1CC1C1OC1C;GESGVVVLMKPHFY-UHFFFAOYSA-N;138.21;1.99;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC3_SNa";;;;;;;2.57;;0.45;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM450583;MM450583;CCC=NNCC#CCN;VSQYUNJPPBIDNW-UHFFFAOYSA-N;139.2;-0.07;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_Nd";;;;;;;0.87;;-3.56;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM450584;MM450584;CC=CC1NC1C1OC1C;RISSWPXIVIFQKU-UHFFFAOYSA-N;139.2;0.69;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNd_SNa";;;;;;;0.87;;-1.88;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM450585;MM450585;C=NNC(C#N)CC(F)F;DMNXFIDGCQYVHY-UHFFFAOYSA-N;147.13;0.74;;;;;DOPC;MDCG;27;0;"MARTINI bead: N0_P1";;;;;;;0.34;;-1.53;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM450586;MM450586;CC1CC1C1OC1C=NN;XTEZWQVFJJGCDD-UHFFFAOYSA-N;140.19;0.35;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC5_SP2";;;;;;;0.54;;-1.09;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM450587;MM450587;CCC(=CN(C)C)C(C)=O;URQPHIGVFOAROX-UHFFFAOYSA-N;141.21;1.43;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_P1";;;;;;;0.81;;-0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM450588;MM450588;CN=CN1CC1C1CC1C;LZRYODPDAPGXDZ-UHFFFAOYSA-N;138.21;0.98;;;;;DOPC;MDCG;27;1;"MARTINI bead: SP1_SC5";;;;;;;0.81;;-2.98;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM450589;MM450589;NCC#CCNN=CCO;KZTMZJUXVAESEE-UHFFFAOYSA-N;141.17;-1.48;;;;;DOPC;MDCG;27;1;"MARTINI bead: P2_P2";;;;;;;-1.34;;-5.76;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM450590;MM450590;CN=CN1CC1C1CC1N;UIJBASRIOGTNRS-UHFFFAOYSA-N;139.2;-0.32;;;;;DOPC;MDCG;27;1;"MARTINI bead: SP1_SP1";;;;;;;-0.79;;-5.67;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM450591;MM450591;CC=NN1CC1C1CC1C;ONZHNVCXWDVJPW-UHFFFAOYSA-N;138.21;1.33;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP1_SC5";;;;;;;0.81;;-0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM450592;MM450592;CC(F)C(C)NN=CCF;BZGSCHNPYXDVEE-UHFFFAOYSA-N;150.17;1.28;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_Nda";;;;;;;1.64;;0.05;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM450593;MM450593;Cn1nn[nH]c1=NO;FYOSWWSIPUVDCP-UHFFFAOYSA-N;115.1;-1.57;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP1_SP3";;;;;;;-1.93;;-9.1;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM450594;MM450594;CN=NC(=CNN)N(C)N;HVCNDOPRWNKWTC-UHFFFAOYSA-N;144.18;-0.86;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nd_P3";;;;;;;-1.1;;-3.93;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM450595;MM450595;N#CCc1n[nH]c(=NO)[nH]1;NVAAIIHMNVUEIX-UHFFFAOYSA-N;139.12;-0.91;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP5_SP1";;;;;;;-1.94;;-9.1;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM450596;MM450596;C=NNC1CC(C(C)=O)C1;PLSLDGCCNHTZOQ-UHFFFAOYSA-N;140.19;0.56;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNa_SNd";;;;;;;0.87;;-1.88;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM450597;MM450597;CCC(F)(F)C(CO)=NO;DQVFEASSVJKXRF-UHFFFAOYSA-N;153.13;0.85;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_P2";;;;;;;0.54;;-6.28;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM450598;MM450598;CC1(C#N)CN=C(CF)N1;CEWYNFIZACBCJS-UHFFFAOYSA-N;141.15;0.24;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP1_SNda";;;;;;;0.04;;-2.73;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM450599;MM450599;COCC(=NO)C(C)(F)F;BGJDKJWJNUJIBZ-UHFFFAOYSA-N;153.13;1.12;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_N0";;;;;;;0.34;;-7.43;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM450600;MM450600;CCC#CCOC=CCC;AGSOZHBEGDEDSY-UHFFFAOYSA-N;138.21;2.34;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_C3";;;;;;;3.34;;0.48;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM450601;MM450601;CCC(O)C(=NO)C(F)F;DUOKIPOPABNSNG-UHFFFAOYSA-N;153.13;0.85;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_N0";;;;;;;0.34;;-7.43;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM450602;MM450602;CCC=COCC#CCF;WHSQDFOPIADOJB-UHFFFAOYSA-N;142.17;1.9;;;;;DOPC;MDCG;27;0;"MARTINI bead: C3_Na";;;;;;;2.57;;0.45;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM450603;MM450603;COCC(=NO)C(F)F;IFSUXCNEWZDPQV-UHFFFAOYSA-N;139.1;0.73;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_N0";;;;;;;0.34;;-7.43;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM450604;MM450604;CCC#CCOC=CCN;ZGAIAUBEDVIUCK-UHFFFAOYSA-N;139.2;0.89;;;;;DOPC;MDCG;27;1;"MARTINI bead: C3_P2";;;;;;;1.46;;-2.2;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM450605;MM450605;ON=c1[nH]nn[nH]1;OZMNGHKEQSEUOR-UHFFFAOYSA-N;101.07;-1.58;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP3_SP1";;;;;;;-1.93;;-9.1;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM450606;MM450606;NCC#CCOC=CCN;CCTCMIJVOSZVIU-UHFFFAOYSA-N;140.19;-0.56;;;;;DOPC;MDCG;27;1;"MARTINI bead: P2_Nd";;;;;;;-0.24;;-5.4;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM450607;MM450607;CC(N)=CC(=O)N1CC1;QIMGZDXRHYZAGE-UHFFFAOYSA-N;126.16;-0.31;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nd_SP2";;;;;;;-0.24;;-3.16;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM450608;MM450608;NCC=COCC#CCO;SFJXWEKSLWNASP-UHFFFAOYSA-N;141.17;-0.53;;;;;DOPC;MDCG;27;1;"MARTINI bead: P2_Nda";;;;;;;-0.24;;-5.48;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM450609;MM450609;CC1C2C1N(C)C1(C)CC21;HJQDMCQNYJCUQD-UHFFFAOYSA-N;137.23;1.34;;;;;DOPC;MDCG;27;1;"MARTINI bead: SC5_SNd";;;;;;;1.64;;-1.29;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM450610;MM450610;NCC=COCC#CCF;KKJQCKNWWLBISU-UHFFFAOYSA-N;143.16;0.45;;;;;DOPC;MDCG;27;1;"MARTINI bead: P2_C5";;;;;;;0.54;;-3.25;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM450611;MM450611;CC1C(N)C2C(N)C2N1C;OGSVNGILTQUTPH-UHFFFAOYSA-N;141.22;-1.03;;;;;DOPC;MDCG;27;1;"MARTINI bead: SNd_SP3";;;;;;;-1.1;;-6;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM450612;MM450612;CCC#CCOC=CCO;RYNSZGYTRVFUCV-UHFFFAOYSA-N;140.18;0.92;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_Nda";;;;;;;1.64;;0.05;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM450613;MM450613;CC1C(C)C2C(C1C)N2C;IVUTVHBBFSCPOR-UHFFFAOYSA-N;139.24;1.59;;;;;DOPC;MDCG;27;1;"MARTINI bead: SC2_SP1";;;;;;;2;;-0.22;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM450614;MM450614;NCC#CCOC=CCO;ZHMFDGREDNQRAP-UHFFFAOYSA-N;141.17;-0.53;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_P2";;;;;;;-0.24;;-4.57;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM450615;MM450615;C=C1C2C(O)C2N(C)C1C;IODUQHACSJGPKG-UHFFFAOYSA-N;139.2;0.24;;;;;DOPC;MDCG;27;1;"MARTINI bead: SP1_SN0";;;;;;;0.34;;-2.63;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM450616;MM450616;OCC=COCC#CCF;CJUQTDSKILCWQD-UHFFFAOYSA-N;144.15;0.48;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda_Na";;;;;;;0.87;;-1.99;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM450617;MM450617;CCN1CCC(=O)C1=N;ZYPPLSPJMVDLJA-UHFFFAOYSA-N;126.16;0.26;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNd_SP2";;;;;;;-0.24;;-3.16;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM450618;MM450618;NCC#CCOC=CCF;JWIHTUBKGWIJID-UHFFFAOYSA-N;143.16;0.45;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_Na";;;;;;;0.87;;-3.3;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM450619;MM450619;C=C1C(=C)C2C(N)C2C1N;DYBOVNYBMGMSAH-UHFFFAOYSA-N;136.2;0.01;;;;;DOPC;MDCG;27;1;"MARTINI bead: SP1_SNd";;;;;;;0.04;;-5.12;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM450620;MM450620;OCC#CCOC=CCF;HESSXJCXJBODGI-UHFFFAOYSA-N;144.15;0.48;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_C5";;;;;;;0.54;;-1.09;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM450621;MM450621;C=C1C(C)C(=C)C2C(C)C12;NLGCGWGMKLYXII-UHFFFAOYSA-N;134.22;2.63;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC4_SC3";;;;;;;3.9;;0.47;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM450622;MM450622;CCC#CCOC=COC;MWKBLYXWFAZLEC-UHFFFAOYSA-N;140.18;1.53;;;;;DOPC;MDCG;27;0;"MARTINI bead: C3_P1";;;;;;;1.74;;0.29;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM450623;MM450623;CCC(C=O)NCC#N;WHPJOKCJUSLKLN-UHFFFAOYSA-N;126.16;0.08;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_P3";;;;;;;-0.33;;-2.01;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM450624;MM450624;COC=COCC#CCF;KLINDDMYXSFNDC-UHFFFAOYSA-N;144.15;1.09;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_Na";;;;;;;0.87;;-2.22;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM450625;MM450625;C=C1C(=C)C2C(C)C2C1=C;DRYKFMOZGHDEHS-UHFFFAOYSA-N;132.21;2.55;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC4_SC4";;;;;;;3.53;;0.53;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM450626;MM450626;CCN=CNN=C(C)CC;ZWANOOQRRBZSMG-UHFFFAOYSA-N;141.22;1.41;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nd_C5";;;;;;;1.64;;0.03;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM450627;MM450627;C=C1C(=O)C2C(C)C2C1=O;OHHCDTRDXXMJMD-UHFFFAOYSA-N;136.15;0.58;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNa_SNa";;;;;;;0.87;;-2.22;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM450628;MM450628;CNN=COCC#CCN;ZVGXLSPMYBMJDF-UHFFFAOYSA-N;141.17;-0.87;;;;;DOPC;MDCG;27;1;"MARTINI bead: P2_Nd";;;;;;;-0.24;;-4.57;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM450629;MM450629;OCc1n[nH]c(=NO)[nH]1;YDMMKWMDVJPVKD-UHFFFAOYSA-N;130.11;-1.48;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP2_SP5";;;;;;;-2.22;;-9.64;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM450630;MM450630;Cn1c(N)c(F)c(=O)n1N;SDLAMRGGJUZSSY-UHFFFAOYSA-N;146.13;-1.38;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNda_SP2";;;;;;;-0.24;;-3.31;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM450631;MM450631;CC(F)(F)C(CC#N)=NO;XKOYQDIDGREPKX-UHFFFAOYSA-N;148.11;1.39;;;;;DOPC;MDCG;27;0;"MARTINI bead: N0_P1";;;;;;;0.34;;-7.43;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM450632;MM450632;CCn1nc(F)c(N)c1N;FLEYBJDYOZUJSZ-UHFFFAOYSA-N;144.15;0.21;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNda_SP1";;;;;;;0.04;;-2.73;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM450633;MM450633;CN=C1NC(C#N)CO1;DNYANONGXHJFEB-UHFFFAOYSA-N;125.13;-0.52;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP1_SP2";;;;;;;-1.06;;-3.82;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM450634;MM450634;CCC#CCOC=NOC;RPTUXZIYKMPEMM-UHFFFAOYSA-N;141.17;1.01;;;;;DOPC;MDCG;27;0;"MARTINI bead: C3_P2";;;;;;;1.46;;-0.15;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM450635;MM450635;Cc1nn(C2CC2)oc1=O;GYICKGFOYNTKRO-UHFFFAOYSA-N;140.14;0.48;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP1_SP2";;;;;;;-1.06;;-3.82;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM450636;MM450636;CON=COCC#CCN;INYHBAZSLQVLNV-UHFFFAOYSA-N;142.16;-0.45;;;;;DOPC;MDCG;27;1;"MARTINI bead: P2_Nd";;;;;;;-0.24;;-4.57;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM450637;MM450637;C=CCC1CC1CC1CO1;FNMPONUBPCYDAW-UHFFFAOYSA-N;138.21;1.99;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC4_SNa";;;;;;;2.2;;0.34;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM450638;MM450638;C=CC(C=C)NN=CCF;HOZVOUJFDZNPNL-UHFFFAOYSA-N;142.18;1.27;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_P1";;;;;;;0.81;;-0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM450639;MM450639;C#CCC1CC1CC1CC1;SLOWXASYWYPQDK-UHFFFAOYSA-N;134.22;2.45;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC4_SC5";;;;;;;2.97;;0.45;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM450640;MM450640;CON=COCC#CCF;UFMNBERGRRFTND-UHFFFAOYSA-N;145.13;0.57;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_C5";;;;;;;0.54;;-1.09;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM450641;MM450641;CCC#CCON=CCC;YAZQZKNESJDYAC-UHFFFAOYSA-N;139.2;1.81;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_C3";;;;;;;2.57;;0.45;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM450642;MM450642;CC#CC1NC1CN1CC1;PUUPUVNDGCYOCE-UHFFFAOYSA-N;136.2;-0.33;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP1_SP1";;;;;;;-0.79;;-3.13;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM450643;MM450643;CC1CC1CCCC1CC1;GBESKWVEEIKQFO-UHFFFAOYSA-N;138.25;3.22;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC5_SC3";;;;;;;3.34;;0.48;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM450644;MM450644;CCC=NOCC#CCN;QFFANHFIQHXZNP-UHFFFAOYSA-N;140.19;0.36;;;;;DOPC;MDCG;27;1;"MARTINI bead: Na_Nd";;;;;;;0.87;;-3.29;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM450645;MM450645;CC1CC1CC=CC1CC1;QSPHDGNBPSICPB-UHFFFAOYSA-N;136.24;3;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC5_SC4";;;;;;;2.97;;0.45;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM450646;MM450646;CCC#CCON=CCN;KWZSSOHKGKSTPG-UHFFFAOYSA-N;140.19;0.36;;;;;DOPC;MDCG;27;1;"MARTINI bead: C5_P2";;;;;;;0.54;;-2.49;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM450647;MM450647;CC1CC1CC#CC1CC1;MNDMWLAQEMPNEW-UHFFFAOYSA-N;134.22;2.45;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC3_SC5";;;;;;;3.34;;0.48;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM450648;MM450648;NCC=NOCC#CCO;SRNLOEICCYXRKF-UHFFFAOYSA-N;142.16;-1.06;;;;;DOPC;MDCG;27;1;"MARTINI bead: P3_Nda";;;;;;;-1.1;;-5.37;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM450649;MM450649;CC1CC1C=CCC1CC1;DFYYJCYFMCYGRS-UHFFFAOYSA-N;136.24;3;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC5_SC3";;;;;;;3.34;;0.48;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM450650;MM450650;C#CC(C#C)NN=CC=C;VVHXTVUORVQQFK-UHFFFAOYSA-N;132.17;0.38;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nd_N0";;;;;;;1.17;;-1.04;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM450651;MM450651;CC1CN1C(=O)N1CC1C;SDMVZETWVZJRJP-UHFFFAOYSA-N;140.19;0.51;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP1_SP1";;;;;;;-0.79;;-3.13;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM450652;MM450652;NCC#CCON=CCO;OOPMXYUSTNPBPB-UHFFFAOYSA-N;142.16;-1.06;;;;;DOPC;MDCG;27;1;"MARTINI bead: P2_P1";;;;;;;-1.06;;-5.23;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM450653;MM450653;CC1CC1CNC1CC1C;YFNSUCKDWSYGAE-UHFFFAOYSA-N;139.24;1.64;;;;;DOPC;MDCG;27;1;"MARTINI bead: SC5_SNd";;;;;;;1.64;;-2.93;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM450654;MM450654;CN1CCN(C=O)CC1=O;XWXZAWPYXSSZJE-UHFFFAOYSA-N;142.16;-1.08;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP2_SP3";;;;;;;-2.2;;-5.19;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM450655;MM450655;CC1CN1CCC1CC1N;UMSMXRRIKLAUEK-UHFFFAOYSA-N;140.23;0.43;;;;;DOPC;MDCG;27;1;"MARTINI bead: SNd_SNd";;;;;;;0.87;;-4.76;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM450656;MM450656;CC1=NN(C=O)CCC1=O;MMKVWLNUKKWGTA-UHFFFAOYSA-N;140.14;-0.21;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP1_SP1";;;;;;;-0.79;;-3.13;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM450657;MM450657;CC1CC1C=CC1CC1C;JHRZYEVZOFLFOW-UHFFFAOYSA-N;136.24;2.85;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC5_SC5";;;;;;;2.41;;0.64;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM450658;MM450658;CCC#CCON=COC;GILGJNMXXNGVMT-UHFFFAOYSA-N;141.17;1.01;;;;;DOPC;MDCG;27;0;"MARTINI bead: C3_P2";;;;;;;1.46;;-0.15;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM450659;MM450659;CC1CC1N=CN1CC1C;MVJKYDBNBJLZBR-UHFFFAOYSA-N;138.21;1.13;;;;;DOPC;MDCG;27;1;"MARTINI bead: SP1_SNd";;;;;;;0.04;;-4.56;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM450660;MM450660;COC=NOCC#CCN;JWGGSXLDJLMZDC-UHFFFAOYSA-N;142.16;-0.45;;;;;DOPC;MDCG;27;1;"MARTINI bead: P2_Nd";;;;;;;-0.24;;-4.56;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM450661;MM450661;CCCC1=NNC(C#N)C1;LFYOUNYUPVMXHQ-UHFFFAOYSA-N;137.19;1.03;;;;;DOPC;MDCG;27;0;"MARTINI bead: SN0_SP1";;;;;;;0.34;;-1.53;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM450662;MM450662;CC1CC1CC1CC1CN;FGQOGKOEEBGMOS-UHFFFAOYSA-N;139.24;1.63;;;;;DOPC;MDCG;27;1;"MARTINI bead: SC5_SNd";;;;;;;1.64;;-2.7;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM450663;MM450663;COC=NOCC#CCF;JNFOFURZFQAENL-UHFFFAOYSA-N;145.13;0.57;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_Na";;;;;;;0.87;;-2.22;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM450664;MM450664;CC1CC2C(C1=O)N2C;PPDNCCIZRIZKIO-UHFFFAOYSA-N;125.17;0.28;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNd_SNa";;;;;;;0.87;;-1.88;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM450665;MM450665;C=CC#CCCC=CCC;BRDWXEKWIUNDMR-UHFFFAOYSA-N;134.22;2.92;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1_N0";;;;;;;3.21;;0.46;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM450666;MM450666;CC1CC1CC1CC1CF;UUCDJFXTRFUBPA-UHFFFAOYSA-N;142.22;2.64;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC5_SC5";;;;;;;2.41;;0.64;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM450667;MM450667;CCC1CC1NC1CC1C;HODFOUPWVKRLRF-UHFFFAOYSA-N;139.24;1.78;;;;;DOPC;MDCG;27;1;"MARTINI bead: SC3_SNd";;;;;;;2.57;;-1.39;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM450668;MM450668;CCC=CCCC#CC=O;BSBHPWUMEDCZIJ-UHFFFAOYSA-N;136.19;1.94;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1_P1";;;;;;;2.08;;0.48;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM450669;MM450669;CC1CC1CC1NC1CN;NXNOMSAJCPHQDZ-UHFFFAOYSA-N;140.23;0.33;;;;;DOPC;MDCG;27;1;"MARTINI bead: SC5_SP2";;;;;;;0.54;;-3.03;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM450670;MM450670;CCC=CCCC#CC#N;NEWRTOGXLUBBRX-UHFFFAOYSA-N;133.19;2.26;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1_N0";;;;;;;3.21;;0.46;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM450671;MM450671;C=CC1CC1CC1CC1C;KOIWKAVKZYGRKD-UHFFFAOYSA-N;136.24;2.85;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC5_SC4";;;;;;;2.97;;0.45;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM450672;MM450672;N#CC#CCCC=CCF;FLGMKICAAIMGIZ-UHFFFAOYSA-N;137.16;1.82;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_N0";;;;;;;1.17;;-1.18;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM450673;MM450673;CC1CC1CC1CC1C=O;YKNSPEWANHDXKR-UHFFFAOYSA-N;138.21;1.87;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC5_SNa";;;;;;;1.64;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM450674;MM450674;C=CC#CCCC=NNC;GLBKRJGNOQNFIB-UHFFFAOYSA-N;136.2;1.16;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nd_C4";;;;;;;2.2;;0.32;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM450675;MM450675;CC1CC1CC1CN1C=N;PKKOSWIMNZLFRZ-UHFFFAOYSA-N;138.21;1.32;;;;;DOPC;MDCG;27;1;"MARTINI bead: SC5_SP2";;;;;;;0.54;;-4.34;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM450676;MM450676;CNN=CCCC#CC=O;MPPCACDJPOQKCY-UHFFFAOYSA-N;138.17;0.17;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nd_C5";;;;;;;1.64;;0.02;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM450677;MM450677;CC1CC1CC1CN1C=O;NSSHASIPIGCDFS-UHFFFAOYSA-N;139.2;0.87;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC5_SP2";;;;;;;0.54;;-1.09;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM450678;MM450678;CNN=CCCC#CC#N;FNCUTHDOQFNMAU-UHFFFAOYSA-N;135.17;0.5;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nd_N0";;;;;;;1.17;;-1.04;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM450679;MM450679;NC1CC1CC1CN1C=O;FESDWLFLWQYMBW-UHFFFAOYSA-N;140.19;-0.44;;;;;DOPC;MDCG;27;1;"MARTINI bead: SNd_SP2";;;;;;;-0.24;;-5.5;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM450680;MM450680;C=CC#CCCC=NOC;PQHVRSRXWBJONQ-UHFFFAOYSA-N;137.18;1.59;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_C4";;;;;;;2.2;;0.34;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM450681;MM450681;N=CN1CC1CC1CC1O;AEKMSDRILOWSKA-UHFFFAOYSA-N;140.19;0.05;;;;;DOPC;MDCG;27;1;"MARTINI bead: SNda_SP2";;;;;;;-0.24;;-6.54;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM450682;MM450682;CON=CCCC#CC#N;URCODWZJQTZBQV-UHFFFAOYSA-N;136.15;0.93;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_N0";;;;;;;1.17;;-1.18;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM450683;MM450683;O=CN1CC1CC1CC1O;KLHDORUHJSCYDP-UHFFFAOYSA-N;141.17;-0.4;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNda_SP2";;;;;;;-0.24;;-3.31;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM450684;MM450684;C=CC#CCNC=NCC;BFUSBEIAMRPIQR-UHFFFAOYSA-N;136.2;0.81;;;;;DOPC;MDCG;27;1;"MARTINI bead: C5_Nd";;;;;;;1.64;;-1.88;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM450685;MM450685;C#CC1CC1CC1CC1C;RGIDZFMAGYIFJB-UHFFFAOYSA-N;134.22;2.3;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC5_SC5";;;;;;;2.41;;0.64;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM450686;MM450686;CCN=CNCC#CC=O;HXUWNBCYDVEMQQ-UHFFFAOYSA-N;138.17;-0.17;;;;;DOPC;MDCG;27;1;"MARTINI bead: C5_P2";;;;;;;0.54;;-3.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM450687;MM450687;C#CC1CC1NC1CC1C;MHHVCYIOGVHFMJ-UHFFFAOYSA-N;135.21;1.01;;;;;DOPC;MDCG;27;1;"MARTINI bead: SC5_SP1";;;;;;;0.81;;-2.6;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM450688;MM450688;CCN=CNCC#CC#N;GDZJLMDIISTTAE-UHFFFAOYSA-N;135.17;0.15;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_N0";;;;;;;1.17;;-3.01;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM450689;MM450689;C#CC1NC1CC1CC1N;WSOLSAAIMDIRDC-UHFFFAOYSA-N;136.2;-0.3;;;;;DOPC;MDCG;27;1;"MARTINI bead: SP1_SP2";;;;;;;-1.06;;-6.45;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM450690;MM450690;C#CC1=NC2CC2(C=O)N1;ZUTAIXSYOHZAPK-UHFFFAOYSA-N;134.14;-0.67;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNa_SNd";;;;;;;0.87;;-1.88;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM450691;MM450691;C#CC1OC1CC1OC1C;KICCASJRMHVXIA-UHFFFAOYSA-N;138.17;0.56;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNa_SNa";;;;;;;0.87;;-2.22;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM450692;MM450692;C=C1C(NC)C=NN1C=N;FAJDQRVGWJCLLV-UHFFFAOYSA-N;138.17;;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP2_SP1";;;;;;;-1.06;;-3.82;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM450693;MM450693;NC(CC1CC1N)C1CC1;ULYRPOJPDDEAQB-UHFFFAOYSA-N;140.23;0.46;;;;;DOPC;MDCG;27;1;"MARTINI bead: SNd_SNd";;;;;;;0.87;;-5.32;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM450694;MM450694;C=CC1=NNC(=NC)CC1;HNMFOIOGCVJMCM-UHFFFAOYSA-N;137.19;0.94;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNd_SN0";;;;;;;1.17;;-1.04;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM450695;MM450695;CC1CC1CC(=N)N1CC1;MSXLBCMZGGLKRD-UHFFFAOYSA-N;138.21;1.33;;;;;DOPC;MDCG;27;1;"MARTINI bead: SC5_SP2";;;;;;;0.54;;-5.25;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM450696;MM450696;CC(C=O)NCC#N;PQVRRULQUZEYIZ-UHFFFAOYSA-N;112.13;-0.31;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_P1";;;;;;;-1.06;;-3.82;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM450697;MM450697;CC1CC1CC(=O)N1CC1;WYTDJFVRBFQQQH-UHFFFAOYSA-N;139.2;0.87;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC5_SP2";;;;;;;0.54;;-1.09;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM450698;MM450698;CC1CC(C)C(C)(O)C1;PFIVGGPSGSAIKB-UHFFFAOYSA-N;128.22;1.8;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC3_SC5";;;;;;;3.34;;0.48;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM450699;MM450699;N=C(CC1CC1N)N1CC1;TWLIKHYWOIIUCT-UHFFFAOYSA-N;139.2;0.02;;;;;DOPC;MDCG;27;1;"MARTINI bead: SNd_SP2";;;;;;;-0.24;;-7.29;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM450700;MM450700;C=C(F)CC(C)=NOC;SWKIYBJNZPTMAX-UHFFFAOYSA-N;131.15;1.88;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_C5";;;;;;;1.64;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM450701;MM450701;NC1CC1CC(=O)N1CC1;ZRMQHUKJJBZZBU-UHFFFAOYSA-N;140.19;-0.43;;;;;DOPC;MDCG;27;1;"MARTINI bead: SNd_SP2";;;;;;;-0.24;;-5.58;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM450702;MM450702;CC1CCC(C)(O)C1C;XOCDXUTXEYCPLF-UHFFFAOYSA-N;128.22;1.8;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC3_SC5";;;;;;;3.34;;0.48;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM450703;MM450703;N=C(CC1CC1O)N1CC1;DXFTXSDHZZTCMB-UHFFFAOYSA-N;140.19;0.05;;;;;DOPC;MDCG;27;1;"MARTINI bead: SNda_SP2";;;;;;;-0.24;;-7.35;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM450704;MM450704;CCC1(O)CCC(C)C1;YSYDFWKSDFASRU-UHFFFAOYSA-N;128.22;1.95;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC5_SC3";;;;;;;3.34;;0.48;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM450705;MM450705;N=C(CC1CC1F)N1CC1;YXUDPDSBMSDKKH-UHFFFAOYSA-N;142.18;1.03;;;;;DOPC;MDCG;27;1;"MARTINI bead: SNa_SP2";;;;;;;-0.24;;-7.32;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM450706;MM450706;C=CC#CCOC=CCC;IDZSZAQASHHADQ-UHFFFAOYSA-N;136.19;2.12;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_C4";;;;;;;2.97;;0.45;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM450707;MM450707;CC1OC1CC(=N)N1CC1;RDGIZZBKKIPCFT-UHFFFAOYSA-N;140.19;0.46;;;;;DOPC;MDCG;27;1;"MARTINI bead: SNa_SP2";;;;;;;-0.24;;-6.83;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM450708;MM450708;CCC=COCC#CC#N;GXFIBULDHYGVDJ-UHFFFAOYSA-N;135.17;1.45;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_N0";;;;;;;1.94;;0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM450709;MM450709;CCC12CN3CC3C1C2C;HZOBLRFOXDVDPM-UHFFFAOYSA-N;137.23;1.35;;;;;DOPC;MDCG;27;0;"MARTINI bead: SN0_SNd";;;;;;;1.17;;-1.04;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM450710;MM450710;C=CC#CCOC=CCN;RBTHHDXLGLGRAR-UHFFFAOYSA-N;137.18;0.66;;;;;DOPC;MDCG;27;1;"MARTINI bead: P2_C4";;;;;;;1.09;;-2.51;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM450711;MM450711;CCC12CC3CN3C1C2C;BWHWOGWCJBRUIH-UHFFFAOYSA-N;137.23;1.49;;;;;DOPC;MDCG;27;0;"MARTINI bead: SN0_SNd";;;;;;;1.17;;-1.04;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM450712;MM450712;C=CC#CCOC=CCO;JWCOWEZYGXRDII-UHFFFAOYSA-N;138.17;0.7;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_C4";;;;;;;1.09;;-0.38;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM450713;MM450713;C=CC12CC3OC3C1C2C;HDUQVURGGSTFFA-UHFFFAOYSA-N;136.19;1.6;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNa_SC4";;;;;;;2.2;;0.34;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM450714;MM450714;O=CC#CCOC=CCF;GXSMKBHDEJAPLC-UHFFFAOYSA-N;142.13;0.69;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_P1";;;;;;;0.81;;-0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM450715;MM450715;CCC(CC)C(C)C1CC1;SUEGBNHXSOKFHM-UHFFFAOYSA-N;140.27;3.47;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1_SC3";;;;;;;4.61;;0.31;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM450716;MM450716;C=CC#CCOC=COC;DSZGFCIDYYYCOF-UHFFFAOYSA-N;138.17;1.31;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_Na";;;;;;;0.87;;-2.22;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM450717;MM450717;CCC(CF)C(C)C1CC1;QGCSTIMBSZTMKR-UHFFFAOYSA-N;144.23;3.03;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4_SC3";;;;;;;3.9;;0.47;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM450718;MM450718;COC=COCC#CC=O;SVLBVANIRWJWLF-UHFFFAOYSA-N;140.14;0.32;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_C5";;;;;;;0.81;;-0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM450719;MM450719;CCC(NC)C(C)C1CC1;PSXUMTTXGCPBJZ-UHFFFAOYSA-N;141.26;2.03;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_SC3";;;;;;;2.57;;-2.18;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM450720;MM450720;COC=COCC#CC#N;LNVODVRONOUVJV-UHFFFAOYSA-N;137.14;0.65;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_N0";;;;;;;1.17;;-1.18;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM450721;MM450721;CC(C(CN)CN)C1CN1;YCDOMUYWHSXNCM-UHFFFAOYSA-N;143.23;-0.87;;;;;DOPC;MDCG;27;1;"MARTINI bead: P3_SNd";;;;;;;-1.1;;-6.66;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM450722;MM450722;CCC(C)(O)C1CC1C;DSJJFQWMJZTHRQ-UHFFFAOYSA-N;128.22;1.8;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda_SC5";;;;;;;1.64;;0.05;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM450723;MM450723;CCC(NC)C(C)C1CN1;JJWAJIQLAWVNDL-UHFFFAOYSA-N;142.25;0.59;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_SNd";;;;;;;0.87;;-5.24;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM450724;MM450724;CN=NC(=CNN)NN;OECCEYHFEMMFPA-UHFFFAOYSA-N;130.16;-1.21;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nd_P3";;;;;;;-1.1;;-3.93;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM450725;MM450725;CCC(CC)C(C)C1CO1;FRCWGMMGUXLYGT-UHFFFAOYSA-N;142.24;2.46;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1_SNa";;;;;;;2.91;;0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM450726;MM450726;C=CC#CCOC=NOC;TUHOHZZQVSLOHP-UHFFFAOYSA-N;139.15;0.78;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_C4";;;;;;;1.09;;-0.38;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM450727;MM450727;CCC(OC)C(C)C1CO1;YUQHUIMCSQISGA-UHFFFAOYSA-N;144.21;1.45;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_SNa";;;;;;;0.87;;-2.22;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM450728;MM450728;CCC(NC)C(C)N1CC1;OKKJQFUTQYASPV-UHFFFAOYSA-N;142.25;0.69;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_SNd";;;;;;;0.87;;-5.03;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM450729;MM450729;CON=COCC#CC=O;JFZODICOOWLBLE-UHFFFAOYSA-N;141.13;-0.21;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_C5";;;;;;;0.54;;-1.09;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM450730;MM450730;C=CC(CC)C(C)C1CC1;FDLYJOYKMMOXTG-UHFFFAOYSA-N;138.25;3.24;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1_SC3";;;;;;;4.61;;0.31;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM450731;MM450731;C=CC#CCON=CCC;WRICUESDSXDIKO-UHFFFAOYSA-N;137.18;1.59;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_N0";;;;;;;1.17;;-1.18;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM450732;MM450732;CCC(C=O)C(C)C1CC1;ISZVJLRYTLWOMF-UHFFFAOYSA-N;140.23;2.26;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_SC3";;;;;;;3.34;;0.48;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM450733;MM450733;Cc1c(N)nn(C)c1F;WITXFEZCJSWKCT-UHFFFAOYSA-N;129.14;0.45;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP1_SNa";;;;;;;0.04;;-2.54;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM450734;MM450734;CC1=NC(=O)CCN1C;HMPFNIMBMADHSD-UHFFFAOYSA-N;126.16;0.27;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNd_SP2";;;;;;;-0.24;;-3.16;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM450735;MM450735;CCC(C#N)C(C)C1CC1;UKFFZIIYHJITKW-UHFFFAOYSA-N;137.23;2.58;;;;;DOPC;MDCG;27;0;"MARTINI bead: N0_SC3";;;;;;;2.87;;0.37;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM450736;MM450736;CNC(C=O)C(C)C1CC1;HUNLBBFSCGYEBG-UHFFFAOYSA-N;141.21;0.82;;;;;DOPC;MDCG;27;1;"MARTINI bead: P2_SC3";;;;;;;1.46;;-1.46;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM450737;MM450737;CCC1=NNC(C#N)C1;MNAQSXDPTQKHAV-UHFFFAOYSA-N;123.16;0.64;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP1_SP1";;;;;;;-0.79;;-3.13;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM450738;MM450738;C#CCC=NNCC#N;MRLJTPJGNKRIIN-UHFFFAOYSA-N;121.14;0.11;;;;;DOPC;MDCG;27;0;"MARTINI bead: N0_P1";;;;;;;0.34;;-1.53;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM450739;MM450739;CCN(C=O)C(C)C1CC1;WGLFEJWOFGBUAK-UHFFFAOYSA-N;141.21;1.26;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda_SC5";;;;;;;1.64;;0.05;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM450740;MM450740;CCC(C#N)N(C)C1CC1;FFUKBXXWXSMAPZ-UHFFFAOYSA-N;138.21;1.38;;;;;DOPC;MDCG;27;0;"MARTINI bead: N0_SNd";;;;;;;1.17;;-1.04;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM450741;MM450741;CC(F)C(F)(F)C(=N)NN;VPJGJELYYFTVRW-UHFFFAOYSA-N;155.12;0.42;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_P1";;;;;;;0.81;;-0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM450742;MM450742;C=CC(CN)C(C)C1CN1;ZNFVNTAGPFJLRM-UHFFFAOYSA-N;140.23;0.36;;;;;DOPC;MDCG;27;1;"MARTINI bead: SNd_Nd";;;;;;;0.87;;-4.89;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM450743;MM450743;C=CC#CCON=COC;YFUTWZASZPTYQE-UHFFFAOYSA-N;139.15;0.78;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_C4";;;;;;;1.09;;-0.38;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM450744;MM450744;C=CC(NC)C(C)C1CN1;ZKZUQASYKNKBRZ-UHFFFAOYSA-N;140.23;0.37;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_SNd";;;;;;;0.87;;-4.43;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM450745;MM450745;COC=NOCC#CC=O;ZVSGLSLFOHMJMN-UHFFFAOYSA-N;141.13;-0.21;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_C5";;;;;;;0.54;;-1.09;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM450746;MM450746;CCC(C=O)C(C)C1CO1;CBGNISFRFYPIOK-UHFFFAOYSA-N;142.2;1.25;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_SNa";;;;;;;1.64;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM450747;MM450747;C#CC#CCCC=CCC;MJXRSXKDLKVQIK-UHFFFAOYSA-N;132.21;2.37;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1_C4";;;;;;;4.24;;0.42;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM450748;MM450748;CCC(C#N)C(C)C1CO1;UIBUQSARMHGKAQ-UHFFFAOYSA-N;139.2;1.57;;;;;DOPC;MDCG;27;0;"MARTINI bead: N0_SNa";;;;;;;1.17;;-1.18;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM450749;MM450749;C#CC#CCCC=CCN;FJBJXFPCYJDOKK-UHFFFAOYSA-N;133.19;0.92;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_C4";;;;;;;2.2;;-1.67;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM450750;MM450750;C=CC(CN)C(C)C1CO1;JMDNLIIBBBQGFG-UHFFFAOYSA-N;141.21;0.78;;;;;DOPC;MDCG;27;1;"MARTINI bead: SNa_Nd";;;;;;;0.87;;-4.64;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM450751;MM450751;C#CC#CCCC=CCO;DQTJBGDQWPQBTE-UHFFFAOYSA-N;134.18;0.95;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda_C4";;;;;;;2.2;;0.49;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM450752;MM450752;CC(C(C#N)CO)C1CO1;FHSSSBDILSYJFP-UHFFFAOYSA-N;141.17;0.15;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNa_P2";;;;;;;-0.24;;-3.24;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM450753;MM450753;C#CC#CCCC=NNC;MOXASLSIGLJPCK-UHFFFAOYSA-N;134.18;0.61;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nd_C4";;;;;;;2.2;;0.32;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM450754;MM450754;C=CC(OC)C(C)C1CO1;NCXLOECUBAZHSN-UHFFFAOYSA-N;142.2;1.22;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_SNa";;;;;;;0.87;;-2.22;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM450755;MM450755;C#CC#CCCC=NOC;KIZVOWSKAFFMDW-UHFFFAOYSA-N;135.17;1.04;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_C4";;;;;;;2.2;;0.34;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM450756;MM450756;CCN(C=O)C(C)C1CO1;HYAYNHKXTUNXKH-UHFFFAOYSA-N;143.19;0.25;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda_SP1";;;;;;;0.04;;-2.73;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM450757;MM450757;C#CC#CCNC=NOC;CVYOLIZWBYDVMH-UHFFFAOYSA-N;136.15;-0.2;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_N0";;;;;;;0.34;;-1.53;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM450758;MM450758;C=NN(CC)C(C)C1CO1;SWUVTQXFSPMEOY-UHFFFAOYSA-N;142.2;0.71;;;;;DOPC;MDCG;27;0;"MARTINI bead: N0_SP1";;;;;;;0.34;;-1.53;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM450759;MM450759;C=C(C)NC(C)=NN=CC;XQTLFMKZONBSDL-UHFFFAOYSA-N;139.2;1.53;;;;;DOPC;MDCG;27;0;"MARTINI bead: C3_Nd";;;;;;;2.57;;0.53;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM450760;MM450760;CNN(C=O)C(C)C1CO1;KBBUYNYVKWIJDC-UHFFFAOYSA-N;144.17;-0.63;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_SP1";;;;;;;-1.06;;-3.82;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM450761;MM450761;CN(C)C(=O)C=C(N)CF;WJNRLKBNZYRNBC-UHFFFAOYSA-N;146.17;-0.11;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_Nda";;;;;;;-0.24;;-3.31;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM450762;MM450762;C=NNCC(C)=CC(C)=O;ISWJERUUHRJPIO-UHFFFAOYSA-N;140.19;0.73;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_P2";;;;;;;0.54;;-1.09;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM450763;MM450763;C#CC#CCOC=CCC;GZEZQCHFKNDIIZ-UHFFFAOYSA-N;134.18;1.56;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_C4";;;;;;;2.97;;0.45;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM450764;MM450764;CCC(C#N)C(C)N1CC1;XKBSRRZQHROAQH-UHFFFAOYSA-N;138.21;1.24;;;;;DOPC;MDCG;27;0;"MARTINI bead: N0_SNd";;;;;;;1.17;;-1.04;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM450765;MM450765;C#CC#CCOC=CCN;ZVYDNYTWVXHQHJ-UHFFFAOYSA-N;135.17;0.11;;;;;DOPC;MDCG;27;1;"MARTINI bead: P2_C4";;;;;;;1.09;;-2.51;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM450766;MM450766;C#CC(CC)C(C)C1CC1;FZTDIMZVHSNRDK-UHFFFAOYSA-N;136.24;2.69;;;;;DOPC;MDCG;27;0;"MARTINI bead: C3_SC3";;;;;;;4.27;;0.2;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM450767;MM450767;C#CC#CCOC=CCO;SKVQKFXLUBNZQP-UHFFFAOYSA-N;136.15;0.15;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_C4";;;;;;;1.09;;-0.38;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM450768;MM450768;C#CC(CN)C(C)C1CC1;CSNANHVOXSENBB-UHFFFAOYSA-N;137.23;1.24;;;;;DOPC;MDCG;27;1;"MARTINI bead: SC3_Nd";;;;;;;2.57;;-1.19;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM450769;MM450769;C#CC#CCOC=COC;SVHKYSHZCKHOAA-UHFFFAOYSA-N;136.15;0.76;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_C4";;;;;;;1.37;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM450770;MM450770;C#CC(CF)C(C)C1CC1;OAUNFOPGMVZGES-UHFFFAOYSA-N;140.2;2.25;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC3_Na";;;;;;;2.57;;0.45;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM450771;MM450771;COC(=N)NC(C)=C(F)F;WRVQLPDCEBSYLK-UHFFFAOYSA-N;150.13;1.29;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_C4";;;;;;;1.09;;-0.37;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM450772;MM450772;C#CC(CC)C(N)C1CC1;CSMPTBANLHTVLI-UHFFFAOYSA-N;137.23;1.38;;;;;DOPC;MDCG;27;1;"MARTINI bead: C3_SNd";;;;;;;2.57;;-1.51;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM450773;MM450773;C#CC#CCOC=NOC;OMXFXAMGWORHCU-UHFFFAOYSA-N;137.14;0.23;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_C4";;;;;;;1.09;;-0.38;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM450774;MM450774;C#CC(NC)C(C)C1CC1;RCSFYWMQOLMOCU-UHFFFAOYSA-N;137.23;1.25;;;;;DOPC;MDCG;27;1;"MARTINI bead: P2_SC3";;;;;;;1.46;;-2.16;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM450775;MM450775;C#CC#CCON=CCC;AFMCSCHPHKUSFU-UHFFFAOYSA-N;135.17;1.04;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_N0";;;;;;;1.17;;-1.18;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM450776;MM450776;C#CC(CC)N(C)C1CC1;RSIULWMRGPNVFO-UHFFFAOYSA-N;137.23;1.49;;;;;DOPC;MDCG;27;1;"MARTINI bead: C3_SNd";;;;;;;2.57;;-0.37;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM450777;MM450777;C#CC#CCON=CCN;KCHSVOTZMQMAQH-UHFFFAOYSA-N;136.15;-0.42;;;;;DOPC;MDCG;27;1;"MARTINI bead: P3_C4";;;;;;;0.23;;-2.43;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM450778;MM450778;C#CC(CC)C(N)C1CN1;ANHFSNGVZTUBQJ-UHFFFAOYSA-N;138.21;-0.06;;;;;DOPC;MDCG;27;1;"MARTINI bead: C3_SP2";;;;;;;1.46;;-1.98;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM450779;MM450779;CC(=O)C=CC=NOC=O;KFQSPHVCKIETOS-UHFFFAOYSA-N;141.13;0.29;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_P2";;;;;;;0.54;;-1.09;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM450780;MM450780;C#CC(CN)C(C)C1CO1;QHLWPSXFDHMGDV-UHFFFAOYSA-N;139.2;0.23;;;;;DOPC;MDCG;27;1;"MARTINI bead: SNa_Nd";;;;;;;0.87;;-4.35;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM450781;MM450781;CN=CNN=C(C)C(C)C;DHRDLLMYAIZGME-UHFFFAOYSA-N;141.22;1.27;;;;;DOPC;MDCG;27;0;"MARTINI bead: P3_C1";;;;;;;0.94;;0.04;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM450782;MM450782;C#CC(CN)C(C)N1CC1;PPLULDMKICXUMK-UHFFFAOYSA-N;138.21;-0.1;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_SNd";;;;;;;0.87;;-4.24;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM450783;MM450783;C#CC#CCON=COC;FZLFTJHDGCPFIF-UHFFFAOYSA-N;137.14;0.23;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_C4";;;;;;;1.09;;-0.38;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM450784;MM450784;C#CC(NC)C(C)N1CC1;JRIYQTSDEGDTCG-UHFFFAOYSA-N;138.21;-0.09;;;;;DOPC;MDCG;27;1;"MARTINI bead: P2_SNd";;;;;;;-0.24;;-4.7;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM450785;MM450785;C=CC=CCCC#CCC;OALWPZJSGBWRFT-UHFFFAOYSA-N;134.22;2.92;;;;;DOPC;MDCG;27;0;"MARTINI bead: C3_C1";;;;;;;4.61;;0.31;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM450786;MM450786;C#CC(OC)C(C)N1CC1;BUNMGVIJXVYNLY-UHFFFAOYSA-N;139.2;0.34;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_SNd";;;;;;;0.87;;-1.88;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM450787;MM450787;C=CC=CCCC#CCN;TWLRXSSRDAOCHD-UHFFFAOYSA-N;135.21;1.47;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_C1";;;;;;;2.91;;0.38;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM450788;MM450788;C=CC(C=C)C(C)C1CC1;GYHSDDBTPCCHKL-UHFFFAOYSA-N;136.24;3.02;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC5_C1";;;;;;;3.68;;0.46;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM450789;MM450789;C=CC=CCCC#CCO;XZVDSQZSXVQJLR-UHFFFAOYSA-N;136.19;1.5;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda_C1";;;;;;;2.91;;0.57;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM450790;MM450790;C=CC(C#N)C(C)C1CC1;QGPDLZIIBGJJNU-UHFFFAOYSA-N;135.21;2.36;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC5_C4";;;;;;;2.97;;0.45;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM450791;MM450791;C=CC=CCCC#CCF;PKQWKSIFGXLJIV-UHFFFAOYSA-N;138.19;2.48;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_C1";;;;;;;2.91;;0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM450792;MM450792;CC(C(C#N)C#N)C1CC1;GPUYXMHJAUTREZ-UHFFFAOYSA-N;134.18;1.7;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC3_P2";;;;;;;1.46;;-0.15;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM450793;MM450793;N#CC=CCCC#CCO;ADTQTZFCVWNZNF-UHFFFAOYSA-N;135.17;0.84;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_C5";;;;;;;0.54;;-1.09;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM450794;MM450794;C=CN(C=N)C(C)C1CC1;BCQQWGLIVTWUJO-UHFFFAOYSA-N;138.21;1.84;;;;;DOPC;MDCG;27;1;"MARTINI bead: SC5_Nd";;;;;;;1.64;;-3.53;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM450795;MM450795;O=CC=CCCC#CCF;ANFBAXYMBDAPIT-UHFFFAOYSA-N;140.16;1.49;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_C5";;;;;;;1.64;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM450796;MM450796;C=CN(C=O)C(C)C1CC1;REFPLLWQMHPZMM-UHFFFAOYSA-N;139.2;1.39;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC5_Nda";;;;;;;1.64;;0.05;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM450797;MM450797;C=NN=CCCC#CCC;GSKBGSQXJVBRES-UHFFFAOYSA-N;136.2;1.87;;;;;DOPC;MDCG;27;0;"MARTINI bead: C3_C5";;;;;;;3.34;;0.48;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM450798;MM450798;CC(C1CC1)N(C=N)C=N;IIWNMQGSBAHOQE-UHFFFAOYSA-N;139.2;1.3;;;;;DOPC;MDCG;27;1;"MARTINI bead: SC5_P2";;;;;;;0.54;;-2.83;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM450799;MM450799;C=NN=CCCC#CCN;WMSJLBLIJAENJP-UHFFFAOYSA-N;137.19;0.42;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_C5";;;;;;;1.64;;-1.41;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM450800;MM450800;CC(C1CC1)N(C=O)C=O;AFUWFURSRDRRFQ-UHFFFAOYSA-N;141.17;0.4;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC5_P2";;;;;;;0.54;;-1.09;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM450801;MM450801;C=NN=CCCC#CCO;AEHMEJPOXRZUJJ-UHFFFAOYSA-N;138.17;0.45;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_C4";;;;;;;1.09;;-0.38;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM450802;MM450802;C=NN(C=N)C(C)C1CC1;OGFDSNNMDITGPK-UHFFFAOYSA-N;139.2;1.31;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC5_P1";;;;;;;0.81;;-0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM450803;MM450803;C=NN=CCCC#CCF;ZSRGABMYZHKGPP-UHFFFAOYSA-N;140.16;1.43;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_C4";;;;;;;2.2;;0.34;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM450804;MM450804;C=NN(C=O)C(C)C1CC1;WWNBCFPNUZDPBR-UHFFFAOYSA-N;140.19;0.86;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC5_P1";;;;;;;0.81;;-0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM450805;MM450805;CCC#CCNC=CC=O;WXRPSOXRTLSUNZ-UHFFFAOYSA-N;137.18;0.7;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nd_Na";;;;;;;0.87;;-1.88;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM450806;MM450806;CC(N)=CC(=O)N(C)C=N;QQMFLVBJCOSPPW-UHFFFAOYSA-N;141.17;-0.09;;;;;DOPC;MDCG;27;0;"MARTINI bead: P3_Nd";;;;;;;-1.1;;-3.93;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM450807;MM450807;CCC#CCNC=CC#N;AASWHRIUSMYAJH-UHFFFAOYSA-N;134.18;1.03;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nd_N0";;;;;;;1.17;;-1.04;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM450808;MM450808;C=CN(C=N)C(C)C1CN1;ZLVQEEFSVOYCTD-UHFFFAOYSA-N;139.2;0.4;;;;;DOPC;MDCG;27;1;"MARTINI bead: SP2_Nd";;;;;;;-0.24;;-6.44;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM450809;MM450809;O=CC=CNCC#CCO;ZPWCZIMIZKUHFU-UHFFFAOYSA-N;139.15;-0.72;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda_P2";;;;;;;-0.24;;-3.31;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM450810;MM450810;C=CC(C=C)C(C)C1CO1;ILRUDQVAMCRMLV-UHFFFAOYSA-N;138.21;2.01;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNa_C2";;;;;;;2.83;;0.35;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM450811;MM450811;N#CC=CNCC#CCF;TVMGTWOAEDOUHV-UHFFFAOYSA-N;138.15;0.59;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_Nd";;;;;;;0.87;;-1.88;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM450812;MM450812;CC(C(C#N)C#N)C1CO1;YSONGOHPOHZXOM-UHFFFAOYSA-N;136.15;0.68;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP1_N0";;;;;;;0.34;;-1.53;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM450813;MM450813;CCC#CCN=CNC=N;NFDZMJYHJWBYAL-UHFFFAOYSA-N;137.19;0.62;;;;;DOPC;MDCG;27;1;"MARTINI bead: C3_P4";;;;;;;0.52;;-3.37;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM450814;MM450814;CNC=NOC(=N)NNC;AFKDESIQTNFFOE-UHFFFAOYSA-N;145.17;-1.18;;;;;DOPC;MDCG;27;0;"MARTINI bead: P3_P2";;;;;;;-2.2;;-5.19;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM450815;MM450815;N=CNC=NCC#CCN;ZMVZDUNAGTUEIV-UHFFFAOYSA-N;138.17;-0.83;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_P4";;;;;;;-1.19;;-6.77;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM450816;MM450816;C=CC(C#N)C(C)N1CC1;MTHSTSMHUHLWLU-UHFFFAOYSA-N;136.2;1.02;;;;;DOPC;MDCG;27;0;"MARTINI bead: N0_SNd";;;;;;;1.17;;-1.04;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM450817;MM450817;N=CNC=NCC#CCO;SEAIZQJUFMRBSK-UHFFFAOYSA-N;139.16;-0.79;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nda_P4";;;;;;;-1.19;;-6.68;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM450818;MM450818;C#CC(C=C)C(C)C1CC1;CJTKOEXAUGISSF-UHFFFAOYSA-N;134.22;2.47;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC3_C5";;;;;;;3.34;;0.48;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM450819;MM450819;CCC#CCN=CNC=O;COBGNSCYOXDUSZ-UHFFFAOYSA-N;138.17;0.17;;;;;DOPC;MDCG;27;0;"MARTINI bead: C3_P4";;;;;;;0.52;;-1.59;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM450820;MM450820;C#CC(C=O)C(C)C1CC1;BWNRAEQDGQKRHZ-UHFFFAOYSA-N;136.19;1.48;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC3_Na";;;;;;;2.57;;0.45;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM450821;MM450821;C=C(F)C(=NOC)NOC;JCJWTOBYHJXKHG-UHFFFAOYSA-N;148.14;0.58;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_C5";;;;;;;0.81;;-0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM450822;MM450822;NC(C=NOC=O)=CC=O;REWWCXXKFCIODA-UHFFFAOYSA-N;142.11;-0.81;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_P2";;;;;;;-0.24;;-3.24;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM450823;MM450823;C#CC(C)ONC(=N)C#N;QRJJLUWSWKHSIQ-UHFFFAOYSA-N;137.14;0.03;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda_P1";;;;;;;0.04;;-2.73;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM450824;MM450824;C#CC(C=C)C(C)C1CO1;GOVBFDYJBUUISF-UHFFFAOYSA-N;136.19;1.46;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNa_C5";;;;;;;1.64;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM450825;MM450825;C=CC=NNCC#CCC;KFBSXNCEHWQVOS-UHFFFAOYSA-N;136.2;1.16;;;;;DOPC;MDCG;27;0;"MARTINI bead: C3_Nd";;;;;;;2.57;;0.53;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM450826;MM450826;C#CC(C#N)C(C)C1CO1;SIPJQTBBPUMCPL-UHFFFAOYSA-N;135.17;0.79;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNa_N0";;;;;;;1.17;;-1.18;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM450827;MM450827;C=CC=NNCC#CCF;AIVDPLHHQRKSAP-UHFFFAOYSA-N;140.16;0.72;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_Nd";;;;;;;0.87;;-1.88;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM450828;MM450828;CON=C(C)C(N)=CC=O;NUBSNFHYJRUIPV-UHFFFAOYSA-N;142.16;0.05;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_P2";;;;;;;-0.24;;-3.24;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM450829;MM450829;CCCCONC(=N)C#N;VPDZLGPDXWUPJG-UHFFFAOYSA-N;141.17;0.81;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1_P3";;;;;;;0.94;;0.03;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM450830;MM450830;C=C(C(CC)CC)C1CC1;WPAYJSLRTOLDBE-UHFFFAOYSA-N;138.25;3.39;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1_SC4";;;;;;;4.24;;0.42;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM450831;MM450831;CCC#CCNN=CC#N;JKBYYVLUYQPERB-UHFFFAOYSA-N;135.17;0.5;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_Nd";;;;;;;1.64;;0.02;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM450832;MM450832;C=C(C(CC)CN)C1CC1;SUHVXVIUIYATSK-UHFFFAOYSA-N;139.24;1.94;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_SC4";;;;;;;2.2;;-2.18;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM450833;MM450833;N#CC=CCNC(=N)C#N;SHQVTICJILESFA-UHFFFAOYSA-N;134.14;0.16;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_N0";;;;;;;0.06;;-2.21;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM450834;MM450834;C=C(C1CC1)C(CC)NC;HFEZLYUPOZYFEW-UHFFFAOYSA-N;139.24;1.95;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_SC4";;;;;;;2.2;;-2.09;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM450835;MM450835;N#CC=NNCC#CCF;MYUBDYJPYPLCSI-UHFFFAOYSA-N;139.13;0.06;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_Nd";;;;;;;0.87;;-1.88;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM450836;MM450836;C=C(C(CC)CN)C1CO1;IVQJIZDPJHLKKZ-UHFFFAOYSA-N;141.21;0.93;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_SNa";;;;;;;0.87;;-4.64;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM450837;MM450837;C=CC=COCC#CCC;RVYLGJKIIPLZGM-UHFFFAOYSA-N;136.19;2.12;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_C4";;;;;;;2.2;;0.34;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM450838;MM450838;C=C(C(CC)NC)C1CO1;MEWNEGLBFBIRSO-UHFFFAOYSA-N;141.21;0.94;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_SNa";;;;;;;0.87;;-4.34;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM450839;MM450839;C=CC=COCC#CCN;SQXHOUXBQUTRLF-UHFFFAOYSA-N;137.18;0.66;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_Na";;;;;;;0.87;;-3.3;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM450840;MM450840;CCC(CN)C(=N)N1CC1;JWHMBDCQZWMKIB-UHFFFAOYSA-N;141.22;0.26;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_SP2";;;;;;;-0.24;;-7.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM450841;MM450841;C=CC=COCC#CCO;GYXYCDHHGZKXJY-UHFFFAOYSA-N;138.17;0.7;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_C4";;;;;;;1.09;;-0.38;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM450842;MM450842;CCN(CC)C(=O)N1CC1;HOPKFWFNHSDVSQ-UHFFFAOYSA-N;142.2;0.76;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nd_SP2";;;;;;;-0.24;;-3.16;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM450843;MM450843;C=CC=COCC#CCF;MMOQYCRBFMLWBC-UHFFFAOYSA-N;140.16;1.68;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_C4";;;;;;;2.2;;0.34;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM450844;MM450844;CCN(OC)C(=O)N1CC1;JWPMIUAXVQORKO-UHFFFAOYSA-N;144.17;0.31;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_SP2";;;;;;;-0.24;;-3.24;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM450845;MM450845;CCC#CCOC=CC=O;MRPQJRWKFLELEO-UHFFFAOYSA-N;138.17;1.13;;;;;DOPC;MDCG;27;0;"MARTINI bead: C3_P2";;;;;;;1.46;;-0.15;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM450846;MM450846;C=CC(CC)C(=C)C1CC1;OQWRKNOQAJRKMB-UHFFFAOYSA-N;136.24;3.16;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1_SC4";;;;;;;4.24;;0.42;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM450847;MM450847;CCC#CCOC=CC#N;VWKGGVYHBYDVKC-UHFFFAOYSA-N;135.17;1.45;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_N0";;;;;;;1.17;;-1.18;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM450848;MM450848;C=C(C(C#N)CC)C1CC1;PWFPXTWPXABTES-UHFFFAOYSA-N;135.21;2.5;;;;;DOPC;MDCG;27;0;"MARTINI bead: N0_SC4";;;;;;;2.5;;0.44;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM450849;MM450849;O=CC=COCC#CCF;IGFUHQZALAKOKU-UHFFFAOYSA-N;142.13;0.69;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_Na";;;;;;;0.87;;-2.22;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM450850;MM450850;CCC(CF)C(=O)C(=N)N;FZPXCFAMLQAYOC-UHFFFAOYSA-N;146.17;0.49;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_P1";;;;;;;0.04;;-2.54;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM450851;MM450851;N#CC=COCC#CCF;BBLYHEPJIJYUAY-UHFFFAOYSA-N;139.13;1.01;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_Na";;;;;;;0.87;;-2.22;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM450852;MM450852;C=C(C(C#N)CO)C1CC1;ZHKANUUKIWHVFZ-UHFFFAOYSA-N;137.18;1.08;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_SC4";;;;;;;1.09;;-0.38;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM450853;MM450853;C=NN=COCC#CCC;STLXSLQSQFHOCL-UHFFFAOYSA-N;138.17;1.06;;;;;DOPC;MDCG;27;0;"MARTINI bead: C3_P1";;;;;;;1.74;;0.29;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM450854;MM450854;C=CC(NC)C(=C)C1CC1;TVDODCCJTQZNGN-UHFFFAOYSA-N;137.23;1.73;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_SC4";;;;;;;2.2;;-1.27;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM450855;MM450855;C=NN=COCC#CCF;CKRWJVKJBTZGPL-UHFFFAOYSA-N;142.13;0.62;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_P1";;;;;;;0.81;;-0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM450856;MM450856;C=C(C1CC1)N(C=N)CC;WZEFMRNFGOIGBQ-UHFFFAOYSA-N;138.21;1.84;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_SC5";;;;;;;1.64;;-3.54;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM450857;MM450857;C=CC=NOCC#CCC;CGWRUHUKTIBCGP-UHFFFAOYSA-N;137.18;1.59;;;;;DOPC;MDCG;27;0;"MARTINI bead: C3_Na";;;;;;;2.57;;0.45;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM450858;MM450858;C=C(C1CC1)N(C=O)CC;OHOHUCNODIMSJN-UHFFFAOYSA-N;139.2;1.39;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda_SC5";;;;;;;1.64;;0.05;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM450859;MM450859;C=CC=NOCC#CCF;HJKIUXBJLPERRN-UHFFFAOYSA-N;141.15;1.15;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_Na";;;;;;;0.87;;-2.22;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM450860;MM450860;C=CN(CC)C(=N)C1CC1;ZKPPXYGJCRHHCE-UHFFFAOYSA-N;138.21;1.84;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_SC5";;;;;;;1.64;;-4.46;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM450861;MM450861;O=CC=NOCC#CCF;HJQDRARANDICHV-UHFFFAOYSA-N;143.12;0.16;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_P1";;;;;;;0.81;;-0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM450862;MM450862;CCN(C=O)C(=O)C1CC1;IOLRMSIWUMNFEH-UHFFFAOYSA-N;141.17;0.4;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_SC5";;;;;;;0.54;;-1.09;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM450863;MM450863;N#CC=NOCC#CCF;KTMKWOKFIWYWGS-UHFFFAOYSA-N;140.12;0.49;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_P2";;;;;;;0.54;;-1.09;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM450864;MM450864;C=NN(CC)C(=O)C1CC1;GIMOJPKWNFTXQB-UHFFFAOYSA-N;140.19;0.86;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_SC5";;;;;;;0.81;;-0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM450865;MM450865;C=CC#CCCC=CC=C;RTAQRTHJVXPBRU-UHFFFAOYSA-N;132.21;2.7;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1_C4";;;;;;;4.24;;0.42;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM450866;MM450866;C=C(C1CC1)N(C=O)NC;OWJKPHRRUSGJSS-UHFFFAOYSA-N;140.19;0.5;;;;;DOPC;MDCG;27;0;"MARTINI bead: P3_SC5";;;;;;;-0.33;;-2.01;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM450867;MM450867;C=CC=CCCC#CC=O;XNWUTOYUTIZZNE-UHFFFAOYSA-N;134.18;1.71;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1_C5";;;;;;;3.68;;0.46;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM450868;MM450868;C=C(C1CC1)N(C=O)OC;PARHXKOVRCAFMH-UHFFFAOYSA-N;141.17;0.93;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_SC5";;;;;;;0.81;;-0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM450869;MM450869;C=CC=CCCC#CC#N;MTFWWGOZPSESDB-UHFFFAOYSA-N;131.18;2.04;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1_N0";;;;;;;3.21;;0.46;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM450870;MM450870;C=CC(CN)C(=C)C1CN1;QNLQDFFTYOOUHK-UHFFFAOYSA-N;138.21;0.28;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_SP1";;;;;;;0.04;;-5.36;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM450871;MM450871;C=CC#CCCC=CC=O;KKRLUNWESAKPBZ-UHFFFAOYSA-N;134.18;1.71;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4_Na";;;;;;;2.2;;0.34;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM450872;MM450872;N=C(C=O)NNC(=N)CF;NFWZDUSYJPACLD-UHFFFAOYSA-N;146.13;-0.8;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_P2";;;;;;;-1.34;;-4.31;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM450873;MM450873;C=CC#CCCC=CC#N;USLDJBURELYCQY-UHFFFAOYSA-N;131.18;2.04;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4_N0";;;;;;;2.5;;0.44;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM450874;MM450874;C=CC(NC)C(=C)C1CN1;OUUBSZIJCOQGKU-UHFFFAOYSA-N;138.21;0.29;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_SP1";;;;;;;0.04;;-4.11;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM450875;MM450875;N#CC=CCCC#CC=O;VTXRZRZSCGQAJF-UHFFFAOYSA-N;133.15;1.05;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_C5";;;;;;;0.81;;-0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM450876;MM450876;C=C(C1CN1)N(C=N)CC;GHZOEALQMSRPHO-UHFFFAOYSA-N;139.2;0.4;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_SP2";;;;;;;-0.24;;-6.51;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM450877;MM450877;N#CC#CCCC=CC=O;JZXLXUCGJJHIQP-UHFFFAOYSA-N;133.15;1.05;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_N0";;;;;;;1.17;;-1.18;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM450878;MM450878;C=C(C1CN1)N(C=O)CC;XJAQEKQETCDDHO-UHFFFAOYSA-N;140.19;-0.05;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda_SP2";;;;;;;-0.24;;-3.31;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM450879;MM450879;C=CC#CCCC=NN=C;WNPQXDIGMWIQND-UHFFFAOYSA-N;134.18;1.64;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4_C5";;;;;;;2.97;;0.45;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM450880;MM450880;N#CC(=N)NCC(F)=CF;GMHWNBHNMQWQHC-UHFFFAOYSA-N;145.11;0.86;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_P2";;;;;;;0.54;;-1.09;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM450881;MM450881;C=NN=CCCC#CC=O;YBJRSTRKJORPCX-UHFFFAOYSA-N;136.15;0.66;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_C5";;;;;;;2.41;;0.64;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM450882;MM450882;C=C(C1CN1)N(C=N)NC;WSBLQNKOHZMALT-UHFFFAOYSA-N;140.19;-0.48;;;;;DOPC;MDCG;27;1;"MARTINI bead: P3_SP2";;;;;;;-2.2;;-7.4;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM450883;MM450883;C=NN=CCCC#CC#N;HQQZOGQKZMOQBP-UHFFFAOYSA-N;133.15;0.98;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_N0";;;;;;;1.94;;0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM450884;MM450884;C=C(C1CN1)N(C=O)NC;JLDRNTNDTFMVLA-UHFFFAOYSA-N;141.17;-0.94;;;;;DOPC;MDCG;27;0;"MARTINI bead: P3_SP2";;;;;;;-2.2;;-5.19;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM450885;MM450885;C=CC#CCNC=CC=O;DUBBNJNZFIPBMO-UHFFFAOYSA-N;135.17;0.48;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4_P2";;;;;;;1.09;;-0.38;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM450886;MM450886;C=C(C1CN1)N(C=O)OC;JBQXITPWIGVKCN-UHFFFAOYSA-N;142.16;-0.51;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_SP2";;;;;;;-1.06;;-3.82;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM450887;MM450887;C=CC#CCNC=CC#N;CMOWFJHCKOYHNG-UHFFFAOYSA-N;132.17;0.8;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4_P1";;;;;;;1.37;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM450888;MM450888;C=C(C(C#N)OC)C1CO1;SDEFLQVUWSYIMR-UHFFFAOYSA-N;139.15;0.48;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_SNa";;;;;;;0.04;;-2.54;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM450889;MM450889;O=CC#CCNC=CC=O;DBECAAYEQNFVEJ-UHFFFAOYSA-N;137.14;-0.51;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_C5";;;;;;;0.54;;-1.09;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM450890;MM450890;C=CC(CC)C(=N)N1CC1;DGHXEZAAMFBJKZ-UHFFFAOYSA-N;138.21;1.49;;;;;DOPC;MDCG;27;1;"MARTINI bead: C1_SP2";;;;;;;1.8;;-2.69;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM450891;MM450891;N#CC#CCNC=CC#N;ZMCOKYSXTHFIRM-UHFFFAOYSA-N;131.14;0.14;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_N0";;;;;;;0.34;;-1.53;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM450892;MM450892;CCC(C#N)C(=N)N1CC1;WQNSADCFXNJMEL-UHFFFAOYSA-N;137.19;0.83;;;;;DOPC;MDCG;27;1;"MARTINI bead: N0_SP2";;;;;;;0.06;;-3.77;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM450893;MM450893;C=CC#CCN=CNC=N;KPIHQJBVFWFKIG-UHFFFAOYSA-N;135.17;0.4;;;;;DOPC;MDCG;27;1;"MARTINI bead: C4_P4";;;;;;;0.15;;-3.98;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM450894;MM450894;CCC(C=O)C(=O)N1CC1;GWYKUVIOUKDOSR-UHFFFAOYSA-N;141.17;0.05;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_SP2";;;;;;;0.54;;-1.09;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM450895;MM450895;C=CC#CCN=CNC=O;YGWNFYJJSSQKFQ-UHFFFAOYSA-N;136.15;-0.05;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4_P3";;;;;;;0.23;;-1.03;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM450896;MM450896;CCC(C#N)C(=O)N1CC1;RTTXJPONKUZMKU-UHFFFAOYSA-N;138.17;0.38;;;;;DOPC;MDCG;27;0;"MARTINI bead: N0_SP2";;;;;;;0.06;;-2.21;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM450897;MM450897;O=CC#CCN=CNC=O;IHJUZKOZTRJDMH-UHFFFAOYSA-N;138.13;-1.04;;;;;DOPC;MDCG;27;0;"MARTINI bead: P4_C5";;;;;;;-0.41;;-2.78;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM450898;MM450898;C=CN(CC)C(=O)N1CC1;SQFNJVFRTUZDEC-UHFFFAOYSA-N;140.19;0.89;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nd_SP2";;;;;;;-0.24;;-3.16;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM450899;MM450899;C=NN=CCOC(=O)C=O;MGFBDENRYMIMNE-UHFFFAOYSA-N;142.11;-0.59;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_P2";;;;;;;0.54;;-1.09;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM450900;MM450900;CCN(C=N)C(=O)N1CC1;BDKMMVZOQGRZOF-UHFFFAOYSA-N;141.17;0.35;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_SP2";;;;;;;-1.34;;-4.31;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM450901;MM450901;C=CC#CCNN=CC=C;XXWKRAOOMMLTQN-UHFFFAOYSA-N;134.18;0.94;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nd_C4";;;;;;;2.2;;0.32;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM450902;MM450902;C=NN(CC)C(=O)N1CC1;XVHLWUSXFPHDSK-UHFFFAOYSA-N;141.17;0.36;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_SP2";;;;;;;-1.06;;-3.82;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM450903;MM450903;C=CC=NNCC#CC=O;MFEYYZJZDBEDBD-UHFFFAOYSA-N;136.15;-0.05;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nd_C5";;;;;;;1.64;;0.02;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM450904;MM450904;C#CC(CC)C(=C)C1CC1;NTWYZXFRZATAMW-UHFFFAOYSA-N;134.22;2.61;;;;;DOPC;MDCG;27;0;"MARTINI bead: C3_SC4";;;;;;;3.9;;0.47;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM450905;MM450905;CN=C(C)N=NC=CNN;XCBPNNITRUXSHU-UHFFFAOYSA-N;141.18;0.42;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4_P3";;;;;;;0.23;;-1.03;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM450906;MM450906;C#CC(CN)C(=C)C1CC1;JNBMJDZUSICMPO-UHFFFAOYSA-N;135.21;1.16;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_SC4";;;;;;;2.2;;-1.85;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM450907;MM450907;CCN=NC(=CNN)NN;PEHXJCFEQANGRL-UHFFFAOYSA-N;144.18;-0.82;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_P4";;;;;;;-0.41;;-2.78;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM450908;MM450908;C#CC(OC)C(=C)C1CO1;WRQLJTXPQLBDSQ-UHFFFAOYSA-N;138.17;0.59;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_SNa";;;;;;;0.87;;-2.22;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM450909;MM450909;C=CC#CCNN=CC#N;WDAMQPXFOOXUIW-UHFFFAOYSA-N;133.15;0.27;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4_P2";;;;;;;1.09;;-0.38;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM450910;MM450910;C#CC(CC)C(=N)N1CC1;VISWXBIFJWBAHS-UHFFFAOYSA-N;136.2;0.94;;;;;DOPC;MDCG;27;1;"MARTINI bead: C3_SP2";;;;;;;1.46;;-2.67;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM450911;MM450911;CN=C(NCCF)C(C)=O;UXEDDQQIOZODHK-UHFFFAOYSA-N;146.17;0.16;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_Na";;;;;;;0.04;;-2.54;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM450912;MM450912;C#CC(CN)C(=N)N1CC1;JQXFFUWSRDLUDD-UHFFFAOYSA-N;137.19;-0.51;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_SP2";;;;;;;-0.24;;-5.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM450913;MM450913;N#CC=NNCC#CC=O;LCLLTEFXKKAZSY-UHFFFAOYSA-N;135.13;-0.71;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_P2";;;;;;;0.54;;-1.09;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM450914;MM450914;C#CC(CC)C(=O)N1CC1;UKMXOTJSYWTHJQ-UHFFFAOYSA-N;137.18;0.49;;;;;DOPC;MDCG;27;0;"MARTINI bead: C3_SP2";;;;;;;1.46;;-0.15;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM450915;MM450915;N#CC#CCNN=CC#N;IVZDHTSHKKQEDQ-UHFFFAOYSA-N;132.13;-0.39;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nd_N0";;;;;;;1.17;;-1.04;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM450916;MM450916;C#CC(NC)C(=N)N1CC1;FIBHGKLSLLOAIV-UHFFFAOYSA-N;137.19;-0.5;;;;;DOPC;MDCG;27;1;"MARTINI bead: P2_SP2";;;;;;;-1.34;;-5.51;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM450917;MM450917;C=CC#CCOC=CC=C;MJYVMJNSODVUIG-UHFFFAOYSA-N;134.18;1.89;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_C4";;;;;;;2.2;;0.34;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM450918;MM450918;C#CC(OC)C(=N)N1CC1;JJAQWWHPZTYEQW-UHFFFAOYSA-N;138.17;-0.07;;;;;DOPC;MDCG;27;1;"MARTINI bead: Na_SP2";;;;;;;-0.24;;-4.47;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM450919;MM450919;C=CC=COCC#CC=O;SPYPKJWGUPOIBR-UHFFFAOYSA-N;136.15;0.91;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4_P1";;;;;;;1.37;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM450920;MM450920;C=CC=COCC#CC#N;DTUUJEBCMVJBJJ-UHFFFAOYSA-N;133.15;1.23;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_N0";;;;;;;1.17;;-1.18;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM450921;MM450921;C=CC(C=C)C(=C)C1CC1;YPHSLIPMPWCVNN-UHFFFAOYSA-N;134.22;2.94;;;;;DOPC;MDCG;27;0;"MARTINI bead: C2_SC4";;;;;;;4.16;;0.44;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM450922;MM450922;C=CC#CCOC=CC=O;PPJIDMZLJFIUBK-UHFFFAOYSA-N;136.15;0.91;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4_P2";;;;;;;1.09;;-0.38;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM450923;MM450923;C=CC(C=O)C(=C)C1CC1;FRGJYPPZSSGOHU-UHFFFAOYSA-N;136.19;1.95;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_SC4";;;;;;;2.2;;0.34;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM450924;MM450924;C=CC(C#N)C(=C)C1CC1;CYJDSNRKPDNAFX-UHFFFAOYSA-N;133.19;2.28;;;;;DOPC;MDCG;27;0;"MARTINI bead: N0_SC4";;;;;;;2.5;;0.44;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM450925;MM450925;C=CC#CCOC=CC#N;NGWSZTXSGPEWSH-UHFFFAOYSA-N;133.15;1.23;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4_P2";;;;;;;1.09;;-0.38;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM450926;MM450926;O=CC#CCOC=CC=O;DNSOPNHPJLGBPZ-UHFFFAOYSA-N;138.12;-0.08;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_Na";;;;;;;0.87;;-2.22;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM450927;MM450927;C=C(C(C#N)C#N)C1CC1;VYDOQHODHQMLKE-UHFFFAOYSA-N;132.17;1.62;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC4_P2";;;;;;;1.09;;-0.38;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM450928;MM450928;N#CC=COCC#CC=O;WYUVUJWOZRSAOX-UHFFFAOYSA-N;135.12;0.24;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_P2";;;;;;;0.54;;-1.09;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM450929;MM450929;C=CN(C=O)C(=C)C1CC1;ZNPCPBRFIVUREO-UHFFFAOYSA-N;137.18;1.51;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_SC5";;;;;;;0.81;;-0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM450930;MM450930;C=CC#CCOC=NN=C;ULCGPQRVSZSXQA-UHFFFAOYSA-N;136.15;0.84;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4_P1";;;;;;;1.37;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM450931;MM450931;C=C(C1CC1)N(C=N)C=N;FEKRJTHZPUWKKQ-UHFFFAOYSA-N;137.19;1.43;;;;;DOPC;MDCG;27;1;"MARTINI bead: SC5_P2";;;;;;;0.54;;-2.58;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM450932;MM450932;C=NN=COCC#CC=O;OVBRYIYZAAFBFL-UHFFFAOYSA-N;138.13;-0.15;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_C5";;;;;;;0.81;;-0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM450933;MM450933;N=CN(C=O)C(=O)C1CC1;WMGMLYLTGCSCSN-UHFFFAOYSA-N;140.14;-0.01;;;;;DOPC;MDCG;27;0;"MARTINI bead: P4_SC5";;;;;;;-0.41;;-2.78;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM450934;MM450934;C=NN=COCC#CC#N;ZSUBTKUOULABTJ-UHFFFAOYSA-N;135.13;0.17;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_N0";;;;;;;1.17;;-1.18;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM450935;MM450935;O=CN(C=O)C(=O)C1CC1;YBJVZHOLYGLDKH-UHFFFAOYSA-N;141.13;-0.46;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_SC5";;;;;;;0.54;;-1.09;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM450936;MM450936;C=CC#CCON=CC=C;LMKJSASQXHPOQC-UHFFFAOYSA-N;135.17;1.36;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_C4";;;;;;;2.2;;0.34;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM450937;MM450937;C=CN(N=C)C(=O)C1CC1;QSJJQJXGRRLFAJ-UHFFFAOYSA-N;138.17;0.98;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_SC5";;;;;;;0.81;;-0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM450938;MM450938;C=CC=NOCC#CC=O;HNXSLWJNTIFYQS-UHFFFAOYSA-N;137.14;0.38;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_C5";;;;;;;1.64;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM450939;MM450939;C=NN(C=N)C(=O)C1CC1;NBBHDJLZCPWNMX-UHFFFAOYSA-N;139.16;0.45;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_SC5";;;;;;;0.54;;-1.09;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM450940;MM450940;C=C(F)C(C#N)C=NNC;KKORLBZZVNZJBZ-UHFFFAOYSA-N;141.15;0.81;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_C5";;;;;;;0.54;;-1.09;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM450941;MM450941;C=CC(C#N)C(=C)C1CN1;PTRRGPPWIKYBDN-UHFFFAOYSA-N;134.18;0.84;;;;;DOPC;MDCG;27;0;"MARTINI bead: N0_SP1";;;;;;;0.34;;-1.53;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM450942;MM450942;C=CC#CCON=CC=O;KEUGILVHBYOZOL-UHFFFAOYSA-N;137.14;0.38;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4_P1";;;;;;;1.37;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM450943;MM450943;C=CN(C=O)C(=C)C1CN1;TXNYGEBWCYIMGS-UHFFFAOYSA-N;138.17;0.07;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_SP2";;;;;;;-1.06;;-3.82;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM450944;MM450944;O=CC#CCON=CC=O;IRVWQJGAHDFGSO-UHFFFAOYSA-N;139.11;-0.61;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_C5";;;;;;;0.81;;-0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM450945;MM450945;C=C(C1CN1)N(C=O)C=O;AAJINDVDIAXHKP-UHFFFAOYSA-N;140.14;-0.91;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP2_P2";;;;;;;-1.34;;-4.31;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM450946;MM450946;N#CC=NOCC#CC=O;CXIPEGRMJHHGRF-UHFFFAOYSA-N;136.11;-0.29;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_P2";;;;;;;0.54;;-1.09;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM450947;MM450947;COC(=O)C(=N)NCCF;KBIFHIBFUYLMRU-UHFFFAOYSA-N;148.14;-0.3;;;;;DOPC;MDCG;27;0;"MARTINI bead: P3_C5";;;;;;;-0.33;;-2.01;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM450948;MM450948;C#CC#CCCC=CC=C;SPRLBIOIMWVXJI-UHFFFAOYSA-N;130.19;2.15;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1_C4";;;;;;;4.24;;0.42;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM450949;MM450949;C=CC(C=C)C(=C)C1CO1;MXGYQVRJQLBAPZ-UHFFFAOYSA-N;136.19;1.93;;;;;DOPC;MDCG;27;0;"MARTINI bead: C2_SNa";;;;;;;2.83;;0.35;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM450950;MM450950;C#CC#CCCC=CC#N;MXLWJPKVOXDHHR-UHFFFAOYSA-N;129.16;1.48;;;;;DOPC;MDCG;27;0;"MARTINI bead: N0_C5";;;;;;;1.94;;0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM450951;MM450951;C=CC(C#N)C(=C)C1CO1;MCFHYGVLYKPYIM-UHFFFAOYSA-N;135.17;1.27;;;;;DOPC;MDCG;27;0;"MARTINI bead: N0_SNa";;;;;;;1.17;;-1.18;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM450952;MM450952;C#CC#CCCC=NN=C;NDKPCFNBWKXXAE-UHFFFAOYSA-N;132.17;1.09;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_C4";;;;;;;2.97;;0.45;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM450953;MM450953;C=CC(C#N)C(=N)N1CC1;OJGHCRNMGKGHEW-UHFFFAOYSA-N;135.17;0.61;;;;;DOPC;MDCG;27;1;"MARTINI bead: N0_SP2";;;;;;;0.06;;-3.36;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM450954;MM450954;C#CC#CCNC=CC=O;IPCTZRKPDJNZGN-UHFFFAOYSA-N;133.15;-0.07;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_Nd";;;;;;;0.87;;-1.88;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM450955;MM450955;CCC=NNCC(=O)OC;VWCMZSZRMNKLEH-UHFFFAOYSA-N;144.17;0.14;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nd_Na";;;;;;;0.87;;-1.88;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM450956;MM450956;C#CC#CCNC=CC#N;YNJAZCOEOJNUGD-UHFFFAOYSA-N;130.15;0.25;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nd_N0";;;;;;;1.17;;-1.04;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM450957;MM450957;C=CC(C=C)C(=O)N1CC1;HMXJVKWJAPBLTF-UHFFFAOYSA-N;137.18;0.82;;;;;DOPC;MDCG;27;0;"MARTINI bead: C2_SP2";;;;;;;1.72;;0.27;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM450958;MM450958;C#CC#CCN=CNC=N;CNKVMRVGRRGTEB-UHFFFAOYSA-N;133.15;-0.15;;;;;DOPC;MDCG;27;1;"MARTINI bead: P4_C4";;;;;;;0.15;;-3.98;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM450959;MM450959;N#CC(C#N)C(=O)N1CC1;YQUNCLQZWNWWKD-UHFFFAOYSA-N;135.13;-0.51;;;;;DOPC;MDCG;27;-1;"MARTINI bead: P2_SP2";;;;;;;-1.34;;-8.88;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM450960;MM450960;CCNN=CC(C#N)NC;QFUSOSNCLILTGB-UHFFFAOYSA-N;140.19;-0.31;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nd_P2";;;;;;;-0.24;;-3.16;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM450961;MM450961;C=CN(C=O)C(=N)N1CC1;MHNFTRYTGFCOCP-UHFFFAOYSA-N;139.16;-0.16;;;;;DOPC;MDCG;27;1;"MARTINI bead: P2_SP2";;;;;;;-1.34;;-5.82;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM450962;MM450962;C#CC#CCNN=CC=C;ISUGPIMLHVJOSF-UHFFFAOYSA-N;132.17;0.38;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nd_N0";;;;;;;1.17;;-1.04;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM450963;MM450963;C=CN(C=C)C(=O)N1CC1;WAPUHBOGILHCDF-UHFFFAOYSA-N;138.17;1.01;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nd_SP2";;;;;;;-0.24;;-3.16;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM450964;MM450964;C=CC(=O)CCN1CC1C;HOIKBQIAKFUNPN-UHFFFAOYSA-N;139.2;0.84;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNd_Na";;;;;;;0.87;;-1.88;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM450965;MM450965;C=CN(C=O)C(=O)N1CC1;XQYXFOQEFMQANK-UHFFFAOYSA-N;140.14;0.02;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_SP2";;;;;;;-1.34;;-4.31;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM450966;MM450966;N=CN(C=N)C(=O)N1CC1;FZOVYPVRZBRYND-UHFFFAOYSA-N;140.15;-0.06;;;;;DOPC;MDCG;27;0;"MARTINI bead: P4_SP2";;;;;;;-2.29;;-5.95;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM450967;MM450967;C#CC#CCNN=CC#N;SMQVPRHMVRVWEJ-UHFFFAOYSA-N;131.14;-0.28;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4_P2";;;;;;;1.09;;-0.38;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM450968;MM450968;C=CN(N=C)C(=O)N1CC1;KJHHSLHLIXLAKQ-UHFFFAOYSA-N;139.16;0.48;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_SP2";;;;;;;-1.06;;-3.82;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM450969;MM450969;C#CC#CCOC=CC=C;FWNUROOSJWYHHP-UHFFFAOYSA-N;132.16;1.34;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_C4";;;;;;;2.2;;0.34;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM450970;MM450970;C#CC(C=C)C(=C)C1CC1;GCHVKIGYMNCCDO-UHFFFAOYSA-N;132.21;2.39;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_SC4";;;;;;;2.97;;0.45;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM450971;MM450971;C#CC#CCOC=CC=O;FJRBYYNMRVAKAD-UHFFFAOYSA-N;134.13;0.35;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_C4";;;;;;;1.09;;-0.38;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM450972;MM450972;C#CC(C=O)C(=C)C1CC1;OWHKUNRTGCDZKB-UHFFFAOYSA-N;134.18;1.4;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC4_Na";;;;;;;2.2;;0.34;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM450973;MM450973;C#CC#CCOC=CC#N;IBHFAMNSHRPFHI-UHFFFAOYSA-N;131.13;0.68;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4_P2";;;;;;;1.09;;-0.38;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM450974;MM450974;C#CC(C#N)C(=C)C1CC1;SENNHHNPKJXWRL-UHFFFAOYSA-N;131.18;1.73;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC4_N0";;;;;;;2.5;;0.44;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM450975;MM450975;C#CC#CCOC=NN=C;HIHQJDSYLUMCJO-UHFFFAOYSA-N;134.14;0.28;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_N0";;;;;;;1.17;;-1.18;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM450976;MM450976;C#CC(C#N)C(=O)C1CC1;UWXFZEJELMXEMD-UHFFFAOYSA-N;133.15;0.74;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC5_Na";;;;;;;1.64;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM450977;MM450977;C#CC#CCON=CC=C;LAHCRDLZLIPLIG-UHFFFAOYSA-N;133.15;0.81;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_C4";;;;;;;2.2;;0.34;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM450978;MM450978;C#CC(C=C)C(=C)C1CO1;YPQLKIWIQIXVFO-UHFFFAOYSA-N;134.18;1.38;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_SNa";;;;;;;1.64;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM450979;MM450979;C#CC#CCON=CC=O;ILGFQKIJOKDPCX-UHFFFAOYSA-N;135.12;-0.18;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_C4";;;;;;;1.37;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM450980;MM450980;C#CC(C=C)C(=N)N1CC1;IRPRTXXNUFYGDT-UHFFFAOYSA-N;134.18;0.71;;;;;DOPC;MDCG;27;1;"MARTINI bead: C5_SP2";;;;;;;0.54;;-3.33;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM450981;MM450981;C#CC#CCON=CC#N;VLTNCEPUCGHIQX-UHFFFAOYSA-N;132.12;0.15;;;;;DOPC;MDCG;27;0;"MARTINI bead: N0_Na";;;;;;;1.17;;-1.18;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM450982;MM450982;C#CC(C#C)C(=C)C1CC1;XJMDCHGSGWHKCO-UHFFFAOYSA-N;130.19;1.84;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC4_N0";;;;;;;2.5;;0.44;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM450983;MM450983;C#CC=CCCC#CCC;OGNGUVZEBFFUFJ-UHFFFAOYSA-N;132.21;2.37;;;;;DOPC;MDCG;27;0;"MARTINI bead: C3_C4";;;;;;;3.9;;0.47;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM450984;MM450984;C#CC(C#C)C(=O)C1CC1;WPVYRSJQZUOAQE-UHFFFAOYSA-N;132.16;0.85;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC5_Na";;;;;;;1.64;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM450985;MM450985;C#CC=CCCC#CCN;NCNVGSDMYVKYRE-UHFFFAOYSA-N;133.19;0.92;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_C4";;;;;;;2.2;;-0.94;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM450986;MM450986;C#CC(C#C)C(=C)C1CO1;ROBIXLCCXNEXOG-UHFFFAOYSA-N;132.16;0.82;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNa_N0";;;;;;;1.17;;-1.18;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM450987;MM450987;C#CC=CCCC#CCO;VYBWDTCMMMUAGH-UHFFFAOYSA-N;134.18;0.95;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_C2";;;;;;;1.72;;0.27;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM450988;MM450988;C#CC(C#C)C(=O)N1CC1;XZDAZJRLYCRWLZ-UHFFFAOYSA-N;133.15;-0.29;;;;;DOPC;MDCG;27;0;"MARTINI bead: N0_SP2";;;;;;;0.06;;-2.21;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM450989;MM450989;C#CC=CCCC#CCF;BASRDCPITONRPI-UHFFFAOYSA-N;136.17;1.93;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_C2";;;;;;;2.83;;0.35;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM450990;MM450990;CCC(=CF)C(C)C1CC1;IJIBDGGSPNPTSQ-UHFFFAOYSA-N;142.22;3.3;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1_SC5";;;;;;;3.68;;0.46;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM450991;MM450991;COc1cc(NC=N)on1;DQOPWUCTIFYALT-UHFFFAOYSA-N;141.13;0.7;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNa_SP1";;;;;;;0.04;;-2.54;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM450992;MM450992;N#CCC=CNC(=N)C#N;MJVCILQZORWELI-UHFFFAOYSA-N;134.14;0.5;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_N0";;;;;;;0.06;;-2.21;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM450993;MM450993;C=C(CCN1CC1)C(C)=O;DUZDMRFBKWWZDQ-UHFFFAOYSA-N;139.2;0.84;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_SP1";;;;;;;0.04;;-2.54;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM450994;MM450994;CC=C(CF)C(C)C1CC1;ZDMVZFIGDTUWMI-UHFFFAOYSA-N;142.22;2.95;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1_SC5";;;;;;;3.68;;0.46;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM450995;MM450995;C#CC=COCC#CCC;BNWJAXZIPAONDA-UHFFFAOYSA-N;134.18;1.56;;;;;DOPC;MDCG;27;0;"MARTINI bead: C3_Na";;;;;;;2.57;;0.45;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM450996;MM450996;CC=C(CC)C(N)C1CC1;JRTVSXGZFLHENP-UHFFFAOYSA-N;139.24;2.08;;;;;DOPC;MDCG;27;1;"MARTINI bead: C5_SC5";;;;;;;2.41;;-0.26;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM450997;MM450997;C#CC=COCC#CCN;KAUYITUVWYDADL-UHFFFAOYSA-N;135.17;0.11;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_Na";;;;;;;0.87;;-3.3;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM450998;MM450998;CC=C(CN)C(O)C1CC1;FNZQQXDOXASUKP-UHFFFAOYSA-N;141.21;0.66;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1_SC5";;;;;;;0.81;;-2.35;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM450999;MM450999;C#CC=COCC#CCO;GNPBILBOACAKHX-UHFFFAOYSA-N;136.15;0.15;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda_Na";;;;;;;0.87;;-1.99;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM451000;MM451000;CCC(=NN)C(C)C1CC1;YDRRACWOYXDRPA-UHFFFAOYSA-N;140.23;1.76;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4_SC5";;;;;;;2.97;;0.45;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM451001;MM451001;C#CC=COCC#CCF;KTXVEIQVLBBJIJ-UHFFFAOYSA-N;138.14;1.12;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_N0";;;;;;;1.17;;-1.18;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM451002;MM451002;CN=C(NC)C(C)C1CC1;LZOCFUJNCGZLDU-UHFFFAOYSA-N;140.23;1.28;;;;;DOPC;MDCG;27;1;"MARTINI bead: C5_SC5";;;;;;;2.41;;-2.43;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM451003;MM451003;C#CC=NOCC#CCF;IPVCTKNESLULGO-UHFFFAOYSA-N;139.13;0.59;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_Na";;;;;;;0.87;;-2.22;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM451004;MM451004;CC=C(OC)C(C)C1CC1;QALJGSCOLVDRQL-UHFFFAOYSA-N;140.23;2.58;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1_SC5";;;;;;;3.68;;0.46;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM451005;MM451005;C#CC=CCCC#CC=C;XSIPXTXWRHETQI-UHFFFAOYSA-N;130.19;2.15;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4_C4";;;;;;;3.53;;0.53;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM451006;MM451006;CC=C(CC)C(N)C1CN1;AFNWHELUBFPOES-UHFFFAOYSA-N;140.23;0.64;;;;;DOPC;MDCG;27;1;"MARTINI bead: C5_SP2";;;;;;;0.54;;-2.79;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM451007;MM451007;C#CC=CCCC#CC#N;QEWZXSNIHCMVSA-UHFFFAOYSA-N;129.16;1.48;;;;;DOPC;MDCG;27;0;"MARTINI bead: N0_N0";;;;;;;1.47;;-0.05;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM451008;MM451008;CN=C(NN)C(C)C1CN1;CTLJKBDMONEYCD-UHFFFAOYSA-N;142.21;-0.91;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_SP2";;;;;;;-0.24;;-5.87;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM451009;MM451009;C=Nn1onc(CF)c1=O;XBTAPTVASUTOEJ-UHFFFAOYSA-N;145.09;-0.23;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNa_SP2";;;;;;;-0.24;;-3.24;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM451010;MM451010;CC=C(CC)C(N)C1CO1;WVMBQYLAJQCHFA-UHFFFAOYSA-N;141.21;1.07;;;;;DOPC;MDCG;27;1;"MARTINI bead: C5_SP1";;;;;;;0.81;;-2.25;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM451011;MM451011;CCN=CN=NC=CNN;HWUICWUXCOSLSP-UHFFFAOYSA-N;141.18;0.42;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4_P3";;;;;;;0.23;;-1.03;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM451012;MM451012;CC=C(OC)C(C)C1CO1;MERWLQJHAGNZPD-UHFFFAOYSA-N;142.2;1.57;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1_SP1";;;;;;;2.08;;0.48;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM451013;MM451013;C#CC=COCC#CC=C;DKISCZNBXGUPQF-UHFFFAOYSA-N;132.16;1.34;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4_Na";;;;;;;2.2;;0.34;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM451014;MM451014;CC=NN=CC=C(N)C#N;FGZRPCXHUAHGAH-UHFFFAOYSA-N;136.16;0.43;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_P1";;;;;;;0.81;;-0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM451015;MM451015;C#CC=COCC#CC=O;HEKBDKBJYYXIPK-UHFFFAOYSA-N;134.13;0.35;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_Na";;;;;;;1.64;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM451016;MM451016;C=NNCC(C=O)=NOC;VRTACSFMQJATGV-UHFFFAOYSA-N;143.15;-0.61;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda_P2";;;;;;;-0.24;;-3.31;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM451017;MM451017;C#CC=NOCC#CC=C;ZVTSAFINORDWAO-UHFFFAOYSA-N;133.15;0.81;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4_P1";;;;;;;1.37;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM451018;MM451018;C=CC(=CF)C(C)C1CC1;FPAVIFPLXIFJPC-UHFFFAOYSA-N;140.2;3.07;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC5_C1";;;;;;;3.68;;0.46;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM451019;MM451019;C#CC=NOCC#CC=O;NCFGFZXQUGIEEF-UHFFFAOYSA-N;135.12;-0.18;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_P1";;;;;;;0.81;;-0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM451020;MM451020;CC=C(C#N)C(C)C1CC1;MCLIBYIPLJQSIA-UHFFFAOYSA-N;135.21;2.5;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4_SC5";;;;;;;2.97;;0.45;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM451021;MM451021;CC#CCC=NNCC#N;IPRCTERIDMJODU-UHFFFAOYSA-N;135.17;0.5;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4_P1";;;;;;;1.37;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM451022;MM451022;CC(C(C=O)=CN)C1CC1;XJQGNQNXUOFDMN-UHFFFAOYSA-N;139.2;1.07;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC5_Nda";;;;;;;1.64;;0.05;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM451023;MM451023;C#CC#CCON=CC#C;YIMRZLMLLPVGGF-UHFFFAOYSA-N;131.13;0.26;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_N0";;;;;;;1.17;;-1.18;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM451024;MM451024;CC(C(C#N)=CN)C1CC1;ZWDMXGXADWCMKG-UHFFFAOYSA-N;136.2;1.4;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC5_Nd";;;;;;;1.64;;0.02;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM451025;MM451025;CCC#CCCC#CCC;JRTXBFZDUWXZCN-UHFFFAOYSA-N;134.22;2.59;;;;;DOPC;MDCG;27;0;"MARTINI bead: C3_C3";;;;;;;4.27;;0.2;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM451026;MM451026;CC(C(C#N)=CF)C1CC1;NTMWAPSQJVEEGF-UHFFFAOYSA-N;139.17;2.41;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC5_C5";;;;;;;2.41;;0.64;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM451027;MM451027;CCC#CCCC#CCN;YLECGFLDLUDWMU-UHFFFAOYSA-N;135.21;1.14;;;;;DOPC;MDCG;27;1;"MARTINI bead: C3_Nd";;;;;;;2.57;;-0.27;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM451028;MM451028;C=CC(=CF)C(N)C1CC1;GGTLSKLMOJXIKM-UHFFFAOYSA-N;141.19;1.76;;;;;DOPC;MDCG;27;1;"MARTINI bead: SC5_Nda";;;;;;;1.64;;-2.3;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM451029;MM451029;CCC#CCCC#CCO;XBNFUJULSNXHMA-UHFFFAOYSA-N;136.19;1.18;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1_P2";;;;;;;1.8;;0.4;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM451030;MM451030;C=CC(=NN)C(C)C1CC1;HVOSYNCTNAXIDQ-UHFFFAOYSA-N;138.21;1.53;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC5_C4";;;;;;;2.97;;0.45;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM451031;MM451031;CCC#CCCC#CCF;HMDGOWJVRIGMDH-UHFFFAOYSA-N;138.19;2.15;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1_Na";;;;;;;2.91;;0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM451032;MM451032;CNC(=O)OC(C=O)C=O;YKVFXFQBBWIURT-UHFFFAOYSA-N;145.11;-0.89;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_Na";;;;;;;-0.24;;-8.68;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM451033;MM451033;NCC#CCCC#CCN;RXRSJIRPSBOUFC-UHFFFAOYSA-N;136.2;-0.31;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_Nd";;;;;;;0.87;;-3.92;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM451034;MM451034;C=CC(=NO)C(N)C1CC1;JRFLFENRWQROTE-UHFFFAOYSA-N;140.19;0.74;;;;;DOPC;MDCG;27;1;"MARTINI bead: SC5_P1";;;;;;;0.81;;-1.97;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM451035;MM451035;NCC#CCCC#CCO;XJHIUFBGAYDWTC-UHFFFAOYSA-N;137.18;-0.28;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_Nda";;;;;;;0.87;;-3.42;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM451036;MM451036;C=CC(=NC)N(C)C1CC1;NFCQJRAKZOLEHW-UHFFFAOYSA-N;138.21;1.29;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_SC5";;;;;;;1.64;;-3.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM451037;MM451037;NCC#CCCC#CCF;PCRZWJAOQBWVCY-UHFFFAOYSA-N;139.17;0.7;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_C5";;;;;;;1.64;;-1.4;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM451038;MM451038;CN=C(C=O)N(C)C1CC1;FMECDFBEAHAFTF-UHFFFAOYSA-N;140.19;0.31;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_SC5";;;;;;;0.81;;-0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM451039;MM451039;OCC#CCCC#CCF;ROSCPSDZWFZQCV-UHFFFAOYSA-N;140.16;0.74;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda_C5";;;;;;;1.64;;0.05;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM451040;MM451040;CN=C(C#N)N(C)C1CC1;KMJPLGRDLBCLJN-UHFFFAOYSA-N;137.19;0.63;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nd_SC5";;;;;;;1.64;;0.02;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM451041;MM451041;FCC#CCCC#CCF;JXCXHVAVPDZUMY-UHFFFAOYSA-N;142.15;1.71;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_C5";;;;;;;2.41;;0.64;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM451042;MM451042;CC=C(C=O)C(C)C1CO1;BSJVWZXFGBDTOF-UHFFFAOYSA-N;140.18;1.17;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4_SP1";;;;;;;1.37;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM451043;MM451043;C=CC#CCCC#CCC;LVCKOVADJWUBTI-UHFFFAOYSA-N;132.21;2.37;;;;;DOPC;MDCG;27;0;"MARTINI bead: C3_C4";;;;;;;3.9;;0.47;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM451044;MM451044;CC=C(C#N)C(C)C1CO1;MLQNFOSRNAQBBE-UHFFFAOYSA-N;137.18;1.49;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4_SP1";;;;;;;1.37;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM451045;MM451045;CCC#CCCC#CC=O;RQHUXTRRHSAGLT-UHFFFAOYSA-N;134.18;1.38;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1_P1";;;;;;;2.08;;0.48;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM451046;MM451046;CC(C(C#N)=CF)C1CO1;UKBIVCRRBUOAOM-UHFFFAOYSA-N;141.15;1.4;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP1_C5";;;;;;;0.81;;-0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM451047;MM451047;CCC#CCCC#CC#N;VSVYEGGNBSDJQO-UHFFFAOYSA-N;131.18;1.71;;;;;DOPC;MDCG;27;0;"MARTINI bead: C3_N0";;;;;;;2.87;;0.37;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM451048;MM451048;C=CC(=CC)C(N)C1CO1;LGVMOLRCFSAYSG-UHFFFAOYSA-N;139.2;0.84;;;;;DOPC;MDCG;27;1;"MARTINI bead: C5_SP1";;;;;;;0.81;;-2.21;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM451049;MM451049;C=CC#CCCC#CCN;XJCLGJDHVZWADZ-UHFFFAOYSA-N;133.19;0.92;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_C4";;;;;;;2.2;;-0.93;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM451050;MM451050;C=CC#CCCC#CCO;PKFNUELSAPGELU-UHFFFAOYSA-N;134.18;0.95;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_C2";;;;;;;1.72;;0.27;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM451051;MM451051;C=CC(=CF)C(C)N1CC1;ZSDKWFLXCVOWCZ-UHFFFAOYSA-N;141.19;1.73;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNd_C4";;;;;;;2.2;;0.33;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM451052;MM451052;O=CC#CCCC#CCO;CGJJUFPIMHLVDZ-UHFFFAOYSA-N;136.15;-0.04;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_C5";;;;;;;0.54;;-1.09;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM451053;MM451053;CC=C(C=O)C(C)N1CC1;ZVANMRWSZBQOIP-UHFFFAOYSA-N;139.2;0.84;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_SNd";;;;;;;0.87;;-1.88;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM451054;MM451054;C=CC#CCCC#CCF;PFRJLDAJBLHITE-UHFFFAOYSA-N;136.17;1.93;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_C2";;;;;;;2.83;;0.35;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM451055;MM451055;CC=C(C#N)C(C)N1CC1;ZTBGKBKYVCBWBL-UHFFFAOYSA-N;136.2;1.16;;;;;DOPC;MDCG;27;0;"MARTINI bead: N0_SNd";;;;;;;1.17;;-1.04;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM451056;MM451056;O=CC#CCCC#CCF;WBXZUDZVTFDRHC-UHFFFAOYSA-N;138.14;0.94;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_C5";;;;;;;2.41;;0.64;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM451057;MM451057;CC(C(C#N)=CN)N1CC1;ZQFAHDQGGDBDGG-UHFFFAOYSA-N;137.19;0.06;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNd_P1";;;;;;;0.04;;-2.63;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM451058;MM451058;N#CC#CCCC#CCF;OREOMRJJDVEKMA-UHFFFAOYSA-N;135.14;1.27;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_N0";;;;;;;1.17;;-1.18;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM451059;MM451059;CC(C(C#N)=CF)N1CC1;MTYOWIGRUZHNTI-UHFFFAOYSA-N;140.16;1.07;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNd_Na";;;;;;;0.87;;-1.88;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM451060;MM451060;C#CC#CCCC#CCC;GVOVQFMHZDIWAF-UHFFFAOYSA-N;130.19;1.82;;;;;DOPC;MDCG;27;0;"MARTINI bead: C3_C4";;;;;;;3.9;;0.47;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM451061;MM451061;C#CC(=CF)C(C)C1CC1;VSXCIIHWTBAOKV-UHFFFAOYSA-N;138.19;2.52;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC5_C4";;;;;;;2.97;;0.45;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM451062;MM451062;C#CC#CCCC#CCN;HJDNYPPOFDESRA-UHFFFAOYSA-N;131.18;0.37;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_C4";;;;;;;2.2;;-0.93;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM451063;MM451063;C#CC(=CC)C(N)C1CC1;DUVFDTIDKSGAKD-UHFFFAOYSA-N;135.21;1.3;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_SC5";;;;;;;1.64;;-1.99;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM451064;MM451064;C#CC#CCCC#CCO;GGQMGHPDGKOFEH-UHFFFAOYSA-N;132.16;0.4;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_C2";;;;;;;1.72;;0.27;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM451065;MM451065;C#CC(=NO)C(C)C1CC1;NFLIIJGHNQIVLF-UHFFFAOYSA-N;137.18;1.5;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC5_Nda";;;;;;;1.64;;0.05;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM451066;MM451066;C#CC#CCCC#CCF;ROIGYZJNCNAWMC-UHFFFAOYSA-N;134.15;1.38;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_C2";;;;;;;2.83;;0.35;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM451067;MM451067;C#CC(=NC)N(C)C1CC1;JMVPKPHRURAIKB-UHFFFAOYSA-N;136.2;0.74;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_SC5";;;;;;;1.64;;-2.02;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM451068;MM451068;C=CC#CCCC#CC=C;KEAJWSCCMTVQSM-UHFFFAOYSA-N;130.19;2.15;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4_C4";;;;;;;3.53;;0.53;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM451069;MM451069;C#CC(=CF)C(N)C1CN1;AELJEIKKXXAXMH-UHFFFAOYSA-N;140.16;-0.23;;;;;DOPC;MDCG;27;1;"MARTINI bead: SP2_Nda";;;;;;;-0.24;;-4.46;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM451070;MM451070;C=CC#CCCC#CC=O;PYUMBTSBDBGVDR-UHFFFAOYSA-N;132.16;1.16;;;;;DOPC;MDCG;27;0;"MARTINI bead: C2_P1";;;;;;;2;;0.29;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM451071;MM451071;C#CC(=CF)C(C)C1CO1;PXGWUFZTXYBXLP-UHFFFAOYSA-N;140.16;1.51;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP1_C4";;;;;;;1.37;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM451072;MM451072;C=CC#CCCC#CC#N;NZYWOBXYVOWVEW-UHFFFAOYSA-N;129.16;1.48;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4_N0";;;;;;;2.5;;0.44;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM451073;MM451073;C#CC(=CC)C(C)N1CC1;OFMFQEMCPKCJCH-UHFFFAOYSA-N;135.21;1.27;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4_SNd";;;;;;;2.2;;0.33;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM451074;MM451074;O=CC#CCCC#CC=O;OHONFXVDJUTWAI-UHFFFAOYSA-N;134.13;0.17;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_C5";;;;;;;2.41;;0.64;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM451075;MM451075;C#CC(=NN)C(C)N1CC1;KBROLALJZJHFKY-UHFFFAOYSA-N;137.19;-0.36;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNd_P1";;;;;;;0.04;;-2.63;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM451076;MM451076;N#CC#CCCC#CC=O;VXCRPLYZZHBKCC-UHFFFAOYSA-N;131.13;0.5;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_N0";;;;;;;1.94;;0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM451077;MM451077;C#CC(=NO)C(C)N1CC1;YKWZBYBEZYNOGV-UHFFFAOYSA-N;138.17;0.15;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNd_P1";;;;;;;0.04;;-2.63;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM451078;MM451078;C#CC#CCCC#CC=C;WVJBMYGWWMOGNG-UHFFFAOYSA-N;128.17;1.59;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4_C4";;;;;;;3.53;;0.53;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM451079;MM451079;C=C(C(=CC)CC)C1CC1;LHBTZUWPEATYFS-UHFFFAOYSA-N;136.24;3.31;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1_SC5";;;;;;;3.68;;0.46;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM451080;MM451080;C#CC#CCCC#CC=O;IKABWAANTKMAQG-UHFFFAOYSA-N;130.15;0.61;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_C2";;;;;;;2;;0.29;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM451081;MM451081;C=C(C(=CC)CN)C1CC1;MIVICKOIZLYWDP-UHFFFAOYSA-N;137.23;1.86;;;;;DOPC;MDCG;27;1;"MARTINI bead: C5_SC5";;;;;;;2.41;;0.05;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM451082;MM451082;C#CC#CCCC#CC#N;FMIZNQGEMGRZBN-UHFFFAOYSA-N;127.15;0.93;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4_N0";;;;;;;2.5;;0.44;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM451083;MM451083;CC(F)C(C#N)=C(N)C#N;IJKSVLPEYUAVSY-UHFFFAOYSA-N;139.13;0.6;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_P1";;;;;;;0.81;;-0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM451084;MM451084;C#CC#CCCC#CC#C;LORHDZCHKMBBAP-UHFFFAOYSA-N;126.16;1.04;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4_C4";;;;;;;3.53;;0.53;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM451085;MM451085;C=C(C(CO)=NO)C1CC1;RYVYYVHKWTUZQJ-UHFFFAOYSA-N;141.17;0.78;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_SC5";;;;;;;0.81;;-0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM451086;MM451086;CCCC=CCCCCC;SOVOPSCRHKEUNJ-UHFFFAOYSA-N;140.27;3.92;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1_C1";;;;;;;4.95;;0.69;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM451087;MM451087;NCCC=CCCCCN;LWQMQUYXPSIIGY-UHFFFAOYSA-N;142.25;1.02;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_Nd";;;;;;;0.87;;-5.19;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM451088;MM451088;C=C(C(=NC)NC)C1CC1;VWROEPFYOGWRNZ-UHFFFAOYSA-N;138.21;1.2;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_SC5";;;;;;;1.64;;-4.35;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM451089;MM451089;C=C(C(=CC)OC)C1CC1;GNXASWCWUIBSIQ-UHFFFAOYSA-N;138.21;2.5;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1_SC5";;;;;;;3.68;;0.46;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM451090;MM451090;Cc1nocc1N;BNOWDJRGXLVJHD-UHFFFAOYSA-N;98.11;0.57;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNa_SP1";;;;;;;0.04;;-2.54;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM451091;MM451091;C=C(C(=CF)OC)C1CC1;VWZTVIMXFCCQJQ-UHFFFAOYSA-N;142.17;2.41;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4_SC5";;;;;;;2.97;;0.45;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM451092;MM451092;CC1=NNC(C#N)C1;ORLCBWWMZQHSEF-UHFFFAOYSA-N;109.13;0.25;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP1_SP1";;;;;;;-0.79;;-3.13;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM451093;MM451093;C=C(C(=CC)CN)C1CN1;LYQLRAYZZBQAKL-UHFFFAOYSA-N;138.21;0.42;;;;;DOPC;MDCG;27;1;"MARTINI bead: C5_SP2";;;;;;;0.54;;-3.27;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM451094;MM451094;CNCCCC=CCCN;KMCMTBXGPVAKLE-UHFFFAOYSA-N;142.25;0.89;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_Nd";;;;;;;0.87;;-5.43;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM451095;MM451095;C=C(C(=CC)CC)C1CO1;JTUYQLFSNMTTGX-UHFFFAOYSA-N;138.21;2.3;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1_SP1";;;;;;;2.08;;0.48;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM451096;MM451096;CNCCCC=CCCO;WILDNMOZLOPTQL-UHFFFAOYSA-N;143.23;0.92;;;;;DOPC;MDCG;27;1;"MARTINI bead: C5_Nda";;;;;;;1.64;;-3.04;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM451097;MM451097;CCC(=CN)C(=N)N1CC1;YGMXWMFOVNVPJG-UHFFFAOYSA-N;139.2;0.53;;;;;DOPC;MDCG;27;1;"MARTINI bead: C5_SP2";;;;;;;0.54;;-4.67;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM451098;MM451098;CNCC=CCCCNC;DQACSBPTGMTDQH-UHFFFAOYSA-N;142.25;0.76;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_Nd";;;;;;;0.87;;-5.34;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM451099;MM451099;CCCC=CCCCOC;WUMPQUOGAHDROV-UHFFFAOYSA-N;142.24;2.77;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1_Na";;;;;;;2.91;;0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM451100;MM451100;N=C(C(=CN)CO)N1CC1;OYNZHWZWBUPNBP-UHFFFAOYSA-N;141.17;-0.89;;;;;DOPC;MDCG;27;1;"MARTINI bead: P2_SP2";;;;;;;-1.34;;-7.46;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM451101;MM451101;N=C(C(=CN)CF)N1CC1;MLEWJKHGBAXSLX-UHFFFAOYSA-N;143.17;0.09;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nda_SP2";;;;;;;-0.24;;-6.36;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM451102;MM451102;CNCC=CCCCOC;VLQXYCYXKZMWBC-UHFFFAOYSA-N;143.23;1.19;;;;;DOPC;MDCG;27;1;"MARTINI bead: C5_Na";;;;;;;1.64;;-2.27;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM451103;MM451103;CCOC=CCCCCF;LFEIQSKWWMFVGR-UHFFFAOYSA-N;146.21;2.68;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_C4";;;;;;;2.97;;0.45;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM451104;MM451104;C=CC(=CC)C(=C)C1CC1;LPNYRAOOVLQKLT-UHFFFAOYSA-N;134.22;3.08;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1_SC5";;;;;;;3.68;;0.46;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM451105;MM451105;CCNCCC=CCNC;HUMYXSNIENHTKD-UHFFFAOYSA-N;142.25;0.76;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_Nd";;;;;;;0.87;;-5.31;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM451106;MM451106;C=C(C(C=O)=CC)C1CC1;VXENLOUTMANZGB-UHFFFAOYSA-N;136.19;2.1;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_SC5";;;;;;;2.41;;0.64;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM451107;MM451107;CCCC=CCCOCC;VHEVYASUBQAWME-UHFFFAOYSA-N;142.24;2.77;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1_C5";;;;;;;3.68;;0.46;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM451108;MM451108;C=C(C(C#N)=CC)C1CC1;HMDKXZJMZMYDPY-UHFFFAOYSA-N;133.19;2.42;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4_SC5";;;;;;;2.97;;0.45;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM451109;MM451109;CCOCCC=CCCN;PKNXUXGPAZEODH-UHFFFAOYSA-N;143.23;1.32;;;;;DOPC;MDCG;27;1;"MARTINI bead: C4_Nd";;;;;;;2.2;;-2.18;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM451110;MM451110;C=C(C(C=O)=CN)C1CC1;HHVOUSUSVBTUFL-UHFFFAOYSA-N;137.18;0.99;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda_SC5";;;;;;;1.64;;0.05;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM451111;MM451111;CCOCCC=CCCO;IKGBZDFZDQEJDT-UHFFFAOYSA-N;144.21;1.35;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4_Nda";;;;;;;2.2;;0.49;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM451112;MM451112;C=C(C(C#N)=CN)C1CC1;GNCGUODKGSFLHX-UHFFFAOYSA-N;134.18;1.32;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nd_SC5";;;;;;;1.64;;0.02;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM451113;MM451113;CCOCCC=CCNC;IAEBGQGNNPJGGJ-UHFFFAOYSA-N;143.23;1.19;;;;;DOPC;MDCG;27;1;"MARTINI bead: C4_Nd";;;;;;;2.2;;-1.76;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM451114;MM451114;C=C(C)C(=O)C1CN1C=O;YHNXDXMPKBDNGC-UHFFFAOYSA-N;139.15;-0.03;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_SP2";;;;;;;-0.24;;-3.24;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM451115;MM451115;CCOCCC=CCOC;GAFHPNYEDMBLJR-UHFFFAOYSA-N;144.21;1.62;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_Na";;;;;;;1.64;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM451116;MM451116;C=C(C(C#N)=CC)C1CN1;IIEYAKJOAYPVII-UHFFFAOYSA-N;134.18;0.98;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4_SP2";;;;;;;1.09;;-0.37;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM451117;MM451117;CCOC=CCCOCC;XXGRVFSXEFSXRE-UHFFFAOYSA-N;144.21;1.96;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_C5";;;;;;;2.41;;0.64;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM451118;MM451118;C=C(C(C#N)=CN)C1CN1;QMBIXQUDKUKHEQ-UHFFFAOYSA-N;135.17;-0.12;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nd_SP2";;;;;;;-0.24;;-3.16;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM451119;MM451119;CCNN=CCCCNC;IZUOWKMRFLTNLL-UHFFFAOYSA-N;143.23;0.58;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_Nd";;;;;;;0.87;;-5.28;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM451120;MM451120;C=CC(=CC)C(=C)C1CO1;AGOJFIPAPJTPHW-UHFFFAOYSA-N;136.19;2.07;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1_SP1";;;;;;;2.08;;0.48;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM451121;MM451121;CCNN=CCCCOC;WTNWNGQULKMFIF-UHFFFAOYSA-N;144.22;1.01;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nd_Na";;;;;;;0.87;;-1.88;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM451122;MM451122;C=C(C(C=O)=CC)C1CO1;JNOBLGRDJHZJCK-UHFFFAOYSA-N;138.17;1.09;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_SP1";;;;;;;0.81;;-0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM451123;MM451123;CCON=CCCCCN;GYYFNASPOKJGMI-UHFFFAOYSA-N;144.22;1.14;;;;;DOPC;MDCG;27;1;"MARTINI bead: Na_Nd";;;;;;;0.87;;-4.68;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM451124;MM451124;C=C(C(C#N)=CC)C1CO1;BEVLVFOVQYAHOM-UHFFFAOYSA-N;135.17;1.41;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4_SP1";;;;;;;1.37;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM451125;MM451125;CCON=CCCCNC;ZBXIXAVOLMUMKQ-UHFFFAOYSA-N;144.22;1.01;;;;;DOPC;MDCG;27;1;"MARTINI bead: Na_Nd";;;;;;;0.87;;-5.05;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM451126;MM451126;CC=C(C=O)C(=N)N1CC1;IUANMDWYLQKSJX-UHFFFAOYSA-N;138.17;0.42;;;;;DOPC;MDCG;27;1;"MARTINI bead: Na_SP2";;;;;;;-0.24;;-4.72;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM451127;MM451127;CCNCCC=NNCC;HVZKBFJOVLKWMM-UHFFFAOYSA-N;143.23;0.58;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_Nd";;;;;;;0.87;;-4.76;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM451128;MM451128;N=C(C(C=O)=CN)N1CC1;UBWGOTWMBGNFHV-UHFFFAOYSA-N;139.16;-0.68;;;;;DOPC;MDCG;27;1;"MARTINI bead: P2_SP2";;;;;;;-1.34;;-5.63;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM451129;MM451129;C#CC(=CC)C(=C)C1CC1;OPPSAYUWBFFIAI-UHFFFAOYSA-N;132.21;2.53;;;;;DOPC;MDCG;27;0;"MARTINI bead: C3_SC5";;;;;;;3.34;;0.48;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM451130;MM451130;CCNN=CCCOCC;ZFFUBKTVAPJMIE-UHFFFAOYSA-N;144.22;1.01;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nd_Na";;;;;;;0.87;;-1.88;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM451131;MM451131;C#CC(=NN)C(=C)C1CC1;IQENDOSHMFKDLL-UHFFFAOYSA-N;134.18;0.9;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nd_SC5";;;;;;;1.64;;0.02;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM451132;MM451132;CCOCCC=NOCC;CHDBSHLRQQDPKD-UHFFFAOYSA-N;145.2;1.44;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_Na";;;;;;;1.64;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM451133;MM451133;C#CC(=NO)C(=C)C1CC1;KKSZOISXDWCFDK-UHFFFAOYSA-N;135.17;1.42;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda_SC5";;;;;;;1.64;;0.05;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM451134;MM451134;NCCNCC=CCCO;QMRVAGPPXXFKEQ-UHFFFAOYSA-N;144.22;-0.53;;;;;DOPC;MDCG;27;1;"MARTINI bead: P2_Nda";;;;;;;-0.24;;-5.56;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM451135;MM451135;C#CC(=NN)C(=C)C1CN1;LODNUEQNEISRMX-UHFFFAOYSA-N;135.17;-0.54;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nd_SP2";;;;;;;-0.24;;-3.16;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM451136;MM451136;NCCC=CCNCCO;INZKQIZOSAHRRT-UHFFFAOYSA-N;144.22;-0.53;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_P2";;;;;;;-0.24;;-5.95;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM451137;MM451137;C#CC#CC1CC(C)=NN1;OYGNSLZDLJLRQK-UHFFFAOYSA-N;132.17;0.36;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP1_SNd";;;;;;;0.04;;-2.63;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM451138;MM451138;OCCC=CCNCCO;ZETJLVLJDJLITN-UHFFFAOYSA-N;145.2;-0.49;;;;;DOPC;MDCG;27;1;"MARTINI bead: P2_Nda";;;;;;;-0.24;;-5.09;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM451139;MM451139;C#CC(=CC)C(=C)C1CO1;VQSNILWEUMODAH-UHFFFAOYSA-N;134.18;1.52;;;;;DOPC;MDCG;27;0;"MARTINI bead: C3_SP1";;;;;;;1.74;;0.29;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM451140;MM451140;OCCNCC=CCCF;LAFWKTQZSIZYQS-UHFFFAOYSA-N;147.19;0.48;;;;;DOPC;MDCG;27;1;"MARTINI bead: P2_C5";;;;;;;0.54;;-2.86;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM451141;MM451141;C#CC(=CC)C(=N)N1CC1;WVOXNHKJFLLWID-UHFFFAOYSA-N;134.18;0.86;;;;;DOPC;MDCG;27;1;"MARTINI bead: C4_SP2";;;;;;;1.09;;-2.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM451142;MM451142;NCCC=CCNCCF;XYTNJTKILCBLBV-UHFFFAOYSA-N;146.21;0.45;;;;;DOPC;MDCG;27;1;"MARTINI bead: C5_P2";;;;;;;0.54;;-3.84;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM451143;MM451143;C#CC(=CN)C(=N)N1CC1;UBTURDJBGJKDQZ-UHFFFAOYSA-N;135.17;-0.24;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1_SP2";;;;;;;-1.06;;-6.21;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM451144;MM451144;CCCNCC=CCNC;GQDLJZFYUHPLKF-UHFFFAOYSA-N;142.25;0.76;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_Nd";;;;;;;0.87;;-4.86;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM451145;MM451145;C#CC(=CC)C(=O)N1CC1;CVQKRVXPHOPLMX-UHFFFAOYSA-N;135.17;0.41;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4_SP2";;;;;;;1.09;;-0.38;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM451146;MM451146;CNCC=CCNCCO;MALICRXQZKRMBC-UHFFFAOYSA-N;144.22;-0.66;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_P2";;;;;;;-0.24;;-5.59;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM451147;MM451147;C#CC(=CF)C(=O)N1CC1;RAJVKZDAMPUACB-UHFFFAOYSA-N;139.13;0.32;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_SP2";;;;;;;0.54;;-1.09;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM451148;MM451148;CCON=CCNCCN;JWMDPXSLXVAGIF-UHFFFAOYSA-N;145.21;-0.44;;;;;DOPC;MDCG;27;1;"MARTINI bead: C5_P4";;;;;;;-0.41;;-4.71;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM451149;MM451149;CCC(CC)=C(C)C1CC1;RFHDWUSWLBZYNR-UHFFFAOYSA-N;138.25;3.53;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1_SC5";;;;;;;3.68;;0.46;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM451150;MM451150;CCCC=CCOCCC;HLRABBYNCWXHIK-UHFFFAOYSA-N;142.24;2.77;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_C1";;;;;;;2.91;;0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM451151;MM451151;CCC(CN)=C(C)C1CC1;JZALRUOPJLVVIJ-UHFFFAOYSA-N;139.24;2.08;;;;;DOPC;MDCG;27;1;"MARTINI bead: C5_SC5";;;;;;;2.41;;0.02;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM451152;MM451152;CCCOCC=CCCN;WTTNZPHUMRBERL-UHFFFAOYSA-N;143.23;1.32;;;;;DOPC;MDCG;27;1;"MARTINI bead: Na_C5";;;;;;;1.64;;-2.69;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM451153;MM451153;CC#CCNC(C=O)=NC;XOOHRWWEMDXBJM-UHFFFAOYSA-N;138.17;-0.17;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_C4";;;;;;;1.09;;-0.38;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM451154;MM451154;CCCC=CCOCCO;QGNXYHIZDOPPHX-UHFFFAOYSA-N;144.21;1.35;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1_P2";;;;;;;1.8;;0.4;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM451155;MM451155;CC(=C(CN)CN)C1CC1;ZBJPDLBOKUFWLC-UHFFFAOYSA-N;140.23;0.63;;;;;DOPC;MDCG;27;1;"MARTINI bead: SC5_P2";;;;;;;0.54;;-3.27;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM451156;MM451156;CCCC=CCOCCF;LSSDIMMIPHGISO-UHFFFAOYSA-N;146.21;2.33;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1_P2";;;;;;;1.8;;0.4;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM451157;MM451157;CC(=C(CN)CO)C1CC1;OIUUSXUUSLUOJV-UHFFFAOYSA-N;141.21;0.66;;;;;DOPC;MDCG;27;1;"MARTINI bead: SC5_P1";;;;;;;0.81;;-2.35;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM451158;MM451158;NCCC=CCOCCF;RZHMAVWDADFYPB-UHFFFAOYSA-N;147.19;0.88;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_Na";;;;;;;0.87;;-4.64;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM451159;MM451159;CCC(OC)=C(C)C1CC1;YSXFWOLALRLSJA-UHFFFAOYSA-N;140.23;2.73;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1_SC5";;;;;;;3.68;;0.46;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM451160;MM451160;OCCC=CCOCCF;SWMBAKSFEOUPPG-UHFFFAOYSA-N;148.18;0.91;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda_Na";;;;;;;0.87;;-1.99;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM451161;MM451161;CCC(CN)=C(C)C1CN1;CBSYGHFEGBOHJM-UHFFFAOYSA-N;140.23;0.64;;;;;DOPC;MDCG;27;1;"MARTINI bead: C5_SP2";;;;;;;0.54;;-3.31;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM451162;MM451162;CCCOCC=CCNC;VHVINHWXFMLRSV-UHFFFAOYSA-N;143.23;1.19;;;;;DOPC;MDCG;27;1;"MARTINI bead: Na_C5";;;;;;;1.64;;-2.27;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM451163;MM451163;CC(=C(CN)CN)C1CN1;YTFNSZRELPSPAE-UHFFFAOYSA-N;141.22;-0.81;;;;;DOPC;MDCG;27;1;"MARTINI bead: SP2_P2";;;;;;;-1.34;;-6.5;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM451164;MM451164;CNCC=CCOCCO;BLAIBBUMELVKFC-UHFFFAOYSA-N;145.2;-0.23;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_P1";;;;;;;0.04;;-4.96;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM451165;MM451165;CCC(CC)=C(C)C1CO1;XZPOCDWWJBDRQK-UHFFFAOYSA-N;140.23;2.52;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1_SP1";;;;;;;2.08;;0.48;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM451166;MM451166;CNCC=CCOCCF;DVMWKRMHPHKLBK-UHFFFAOYSA-N;147.19;0.75;;;;;DOPC;MDCG;27;1;"MARTINI bead: C5_P2";;;;;;;0.54;;-3.41;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM451167;MM451167;CCC(CN)=C(C)C1CO1;MCDDJLXJDOLONE-UHFFFAOYSA-N;141.21;1.07;;;;;DOPC;MDCG;27;1;"MARTINI bead: C5_SP1";;;;;;;0.81;;-2.72;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM451168;MM451168;CCCOCC=CCOC;HDHXEKIAWMARRZ-UHFFFAOYSA-N;144.21;1.62;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4_Na";;;;;;;2.2;;0.34;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM451169;MM451169;CCC(CO)=C(C)C1CO1;WJHJIOHMAVIIQC-UHFFFAOYSA-N;142.2;1.1;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_SP1";;;;;;;0.81;;-0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM451170;MM451170;COCC=CCOCCN;CPYWKSNKOWNDNK-UHFFFAOYSA-N;145.2;0.16;;;;;DOPC;MDCG;27;1;"MARTINI bead: Na_P1";;;;;;;0.04;;-4.58;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM451171;MM451171;CC(=C(CN)CN)C1CO1;IEUGCYLFNACESB-UHFFFAOYSA-N;142.2;-0.38;;;;;DOPC;MDCG;27;1;"MARTINI bead: SP1_P2";;;;;;;-1.06;;-6.01;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM451172;MM451172;COCC=CCOCCO;YVPFVBFAAZOKKE-UHFFFAOYSA-N;146.19;0.2;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4_P3";;;;;;;0.23;;-1.03;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM451173;MM451173;CC(=C(CN)CO)C1CO1;VNHBAESVIAAZQV-UHFFFAOYSA-N;143.19;-0.35;;;;;DOPC;MDCG;27;1;"MARTINI bead: SP1_P1";;;;;;;-0.79;;-5;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM451174;MM451174;CCCC=CCOCOC;YVRVMYIAGYVGOB-UHFFFAOYSA-N;144.21;1.96;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1_P2";;;;;;;1.8;;0.4;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM451175;MM451175;C=CC(CC)=C(C)C1CC1;KTGCKOGURHIVLW-UHFFFAOYSA-N;136.24;3.31;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1_SC5";;;;;;;3.68;;0.46;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM451176;MM451176;COCOCC=CCCO;DXAJHPOPUYQZBJ-UHFFFAOYSA-N;146.19;0.55;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_C5";;;;;;;0.54;;-1.09;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM451177;MM451177;CCC(C=O)=C(C)C1CC1;VVXLQJQHHLLVBN-UHFFFAOYSA-N;138.21;2.32;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4_SC5";;;;;;;2.97;;0.45;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM451178;MM451178;CNCC=CCOCOC;BVHKASYDRWQLME-UHFFFAOYSA-N;145.2;0.38;;;;;DOPC;MDCG;27;1;"MARTINI bead: C5_P2";;;;;;;0.54;;-3.41;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM451179;MM451179;CCC(C#N)=C(C)C1CC1;MZODFVVZSDAFNU-UHFFFAOYSA-N;135.21;2.65;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4_SC5";;;;;;;2.97;;0.45;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM451180;MM451180;CCCOCC=COCC;JMABWMVCKXSKRL-UHFFFAOYSA-N;144.21;1.96;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_C5";;;;;;;1.64;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM451181;MM451181;C=CC(CN)=C(C)C1CC1;MFDQMBKKRWCRHB-UHFFFAOYSA-N;137.23;1.86;;;;;DOPC;MDCG;27;1;"MARTINI bead: SC5_C5";;;;;;;2.41;;0.05;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM451182;MM451182;CCOC=CCOCCO;RSIAXEFQHDAXEK-UHFFFAOYSA-N;146.19;0.55;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_P2";;;;;;;0.54;;-1.09;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM451183;MM451183;C=CC12CC1N=C(C=O)N2;SJIZVKAOLRKADT-UHFFFAOYSA-N;136.15;-0.12;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC4_SP2";;;;;;;1.09;;-0.38;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM451184;MM451184;CCON=CCOCCN;CRPIWSZSNYURLR-UHFFFAOYSA-N;146.19;-0.02;;;;;DOPC;MDCG;27;1;"MARTINI bead: Na_P2";;;;;;;-0.24;;-5.28;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM451185;MM451185;CC(=C(C=O)CO)C1CC1;NOBXMEYNFMHRRB-UHFFFAOYSA-N;140.18;0.9;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC5_Nda";;;;;;;1.64;;0.05;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM451186;MM451186;CC(=C(C#N)CO)C1CC1;FXVQROFLXWKYOX-UHFFFAOYSA-N;137.18;1.23;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC5_Nda";;;;;;;1.64;;0.05;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM451187;MM451187;CCCCN=CNCCC;GLMGISGDQWSIMQ-UHFFFAOYSA-N;142.25;1.81;;;;;DOPC;MDCG;27;1;"MARTINI bead: C1_P1";;;;;;;2.08;;-1.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM451188;MM451188;C=CC(CF)=C(C)C1CC1;SNVWOQRVDWXUKX-UHFFFAOYSA-N;140.2;2.87;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC5_C3";;;;;;;3.34;;0.48;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM451189;MM451189;CCCCN=CNCCN;KWRWKLJWYKTYMV-UHFFFAOYSA-N;143.23;0.36;;;;;DOPC;MDCG;27;1;"MARTINI bead: C3_P4";;;;;;;0.52;;-4.5;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM451190;MM451190;CC(=C(C#N)CF)C1CC1;NRTIIODWCHAUDX-UHFFFAOYSA-N;139.17;2.21;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC5_C5";;;;;;;2.41;;0.64;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM451191;MM451191;CCCCN=CNCCO;VKQLOTIEGXFHJF-UHFFFAOYSA-N;144.22;0.4;;;;;DOPC;MDCG;27;1;"MARTINI bead: C3_P3";;;;;;;0.6;;-3.66;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM451192;MM451192;C=CC1NN=C(C#N)C1C;IIFZYBMGHXCULX-UHFFFAOYSA-N;135.17;0.66;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNd_SP1";;;;;;;0.04;;-2.63;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM451193;MM451193;CCCN=CNCCCN;OTLHFFITZXGEOW-UHFFFAOYSA-N;143.23;0.36;;;;;DOPC;MDCG;27;1;"MARTINI bead: C4_P3";;;;;;;0.23;;-4.44;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM451194;MM451194;C=CC(OC)=C(C)C1CC1;DHKNITSJHULGRC-UHFFFAOYSA-N;138.21;2.5;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1_SC5";;;;;;;3.68;;0.46;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM451195;MM451195;CCCN=CNCCCF;MWXWXUPIHDSAKU-UHFFFAOYSA-N;146.21;1.37;;;;;DOPC;MDCG;27;1;"MARTINI bead: C4_P1";;;;;;;1.37;;-3.4;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM451196;MM451196;COC(C#N)=C(F)C1CC1;SUHWLWXLKISCHE-UHFFFAOYSA-N;141.15;1.75;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_SC5";;;;;;;1.64;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM451197;MM451197;CCCN=CNCCOC;GZVUTVXEAXXEBQ-UHFFFAOYSA-N;144.22;0.66;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_Na";;;;;;;0.87;;-4.87;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM451198;MM451198;CCC(C#N)=C(C)C1CN1;KYPJUCPBUBAWLL-UHFFFAOYSA-N;136.2;1.21;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4_SP2";;;;;;;1.09;;-0.37;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM451199;MM451199;COCCN=CNCCO;BIODCMSXSOWXFV-UHFFFAOYSA-N;146.19;-0.76;;;;;DOPC;MDCG;27;1;"MARTINI bead: Na_P4";;;;;;;-1.19;;-7.05;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM451200;MM451200;C=CC(CN)=C(C)C1CN1;KQDPQGHLPFTMOQ-UHFFFAOYSA-N;138.21;0.42;;;;;DOPC;MDCG;27;1;"MARTINI bead: SP2_C5";;;;;;;0.54;;-3.27;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM451201;MM451201;CCCCN=CNNCC;SMRGQVYGXGYZGS-UHFFFAOYSA-N;143.23;0.93;;;;;DOPC;MDCG;27;1;"MARTINI bead: C1_P3";;;;;;;0.94;;-1.77;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM451202;MM451202;CCCC(=O)C1CN1C=O;STTMLZAOIGLDPR-UHFFFAOYSA-N;141.17;0.2;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_SP2";;;;;;;0.54;;-1.09;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM451203;MM451203;CCCNC=NNCCC;KWEZUWQRYVRJEZ-UHFFFAOYSA-N;143.23;0.93;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_Nd";;;;;;;0.87;;-3.51;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM451204;MM451204;CCC(C=O)=C(N)C1CN1;IYHYBLGKIGNSLO-UHFFFAOYSA-N;140.19;-0.22;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda_SP2";;;;;;;-0.24;;-3.31;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM451205;MM451205;NCCNN=CNCCO;PBMYUAWVXMRTNQ-UHFFFAOYSA-N;146.19;-1.94;;;;;DOPC;MDCG;27;1;"MARTINI bead: P4_P2";;;;;;;-2.29;;-7.36;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM451206;MM451206;CCC(C#N)=C(N)C1CN1;FFTUSJPAWNAKCS-UHFFFAOYSA-N;137.19;0.1;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nd_SP2";;;;;;;-0.24;;-3.16;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM451207;MM451207;NCCNN=CNCCF;VLMFNKURDYEFFZ-UHFFFAOYSA-N;148.19;-0.96;;;;;DOPC;MDCG;27;1;"MARTINI bead: P2_P2";;;;;;;-1.34;;-5.72;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM451208;MM451208;C=CC(CC)=C(C)C1CO1;VGAUWLVUVUBFCH-UHFFFAOYSA-N;138.21;2.3;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1_SP1";;;;;;;2.08;;0.48;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM451209;MM451209;CCNN=CNNCCN;DLZCPOWOTLGVOJ-UHFFFAOYSA-N;145.21;-1.41;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1_P4";;;;;;;-2.01;;-6.18;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM451210;MM451210;CCC(C=O)=C(C)C1CO1;DTCYPJPMDTWYDN-UHFFFAOYSA-N;140.18;1.31;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4_SP1";;;;;;;1.37;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM451211;MM451211;CCON=CNNCCN;KTQZMWNDWOMXDM-UHFFFAOYSA-N;146.19;-0.98;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1_P4";;;;;;;-2.01;;-6.16;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM451212;MM451212;CCC(C#N)=C(C)C1CO1;PSTFVKSJHNBGLZ-UHFFFAOYSA-N;137.18;1.64;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4_SP1";;;;;;;1.37;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM451213;MM451213;C=C1CC(=N)N(N)C1=O;LTQBNZSTUHDIPK-UHFFFAOYSA-N;125.13;-0.37;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP2_SP1";;;;;;;-1.06;;-3.82;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM451214;MM451214;C=CC(CN)=C(C)C1CO1;DGTSGDQEDHZRRW-UHFFFAOYSA-N;139.2;0.85;;;;;DOPC;MDCG;27;1;"MARTINI bead: SP1_C5";;;;;;;0.81;;-2.68;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM451215;MM451215;COc1nc(N)n(C)n1;QGIHIFRVZMBSCG-UHFFFAOYSA-N;128.14;-0.59;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP1_SP2";;;;;;;-1.06;;-3.82;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM451216;MM451216;C=CC(CF)=C(C)C1CO1;SEPMDZPRIYYPBI-UHFFFAOYSA-N;142.17;1.86;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP1_C3";;;;;;;1.74;;0.29;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM451217;MM451217;CC1=CC(=CC=O)NN1;IHEYAQSQABUIKM-UHFFFAOYSA-N;124.14;0.08;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP2_SP2";;;;;;;-1.34;;-4.31;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM451218;MM451218;C#CC1CC=NN1;OZRWLZADLBPQIH-UHFFFAOYSA-N;94.12;-0.03;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP1_SP1";;;;;;;-0.79;;-3.13;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM451219;MM451219;CCNN=CNOCCN;RLVRJGWPMGCOMV-UHFFFAOYSA-N;146.19;-0.98;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_P3";;;;;;;-1.1;;-5.01;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM451220;MM451220;CCC(C#N)=C(C)N1CC1;GIYOODAUGWDLHH-UHFFFAOYSA-N;136.2;1.51;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4_SP2";;;;;;;1.09;;-0.38;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM451221;MM451221;CC(=O)C1=CN(C)CC1;ZFOJCLGQUWMPAZ-UHFFFAOYSA-N;125.17;0.79;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNd_SP1";;;;;;;0.04;;-2.63;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM451222;MM451222;CC=NOC(=N)NNC;XJENMZCEMTXANY-UHFFFAOYSA-N;130.15;-0.33;;;;;DOPC;MDCG;27;0;"MARTINI bead: P3_Nda";;;;;;;-1.1;;-3.97;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM451223;MM451223;CCON=CNOCCN;SYPSCQPPWQUXRY-UHFFFAOYSA-N;147.18;-0.55;;;;;DOPC;MDCG;27;1;"MARTINI bead: Na_P3";;;;;;;-1.1;;-5.28;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM451224;MM451224;CCC(C#N)=C(N)N1CC1;QOFJBEHHZVVTFL-UHFFFAOYSA-N;137.19;0.41;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nd_SP2";;;;;;;-0.24;;-3.16;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM451225;MM451225;Cn1c(N)nnc1CF;NUFCPOLYNGTDOH-UHFFFAOYSA-N;130.13;-0.13;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP2_SP1";;;;;;;-1.06;;-3.82;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM451226;MM451226;CNNC(=N)C(F)=CF;DLUFWRFTWPYICL-UHFFFAOYSA-N;135.12;0.47;;;;;DOPC;MDCG;27;0;"MARTINI bead: P4_C5";;;;;;;-0.41;;-2.77;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM451227;MM451227;CCCCNN=CCCF;CLTKQGXMXLYODN-UHFFFAOYSA-N;146.21;1.72;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nd_C5";;;;;;;1.64;;0.02;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM451228;MM451228;COC(C#N)=C(C)N1CC1;AOFANDBNCSGYEJ-UHFFFAOYSA-N;138.17;0.7;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_SP2";;;;;;;-0.24;;-3.24;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM451229;MM451229;NCCCNN=CCCO;KEWBNPOBBVFRHM-UHFFFAOYSA-N;145.21;-0.71;;;;;DOPC;MDCG;27;1;"MARTINI bead: P3_Nda";;;;;;;-1.1;;-6.39;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM451230;MM451230;COC(C#N)=C(N)N1CC1;NUVOPSCMDUQOIO-UHFFFAOYSA-N;139.16;-0.4;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_SP2";;;;;;;-1.06;;-3.82;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM451231;MM451231;NCCC=NNCCCO;HPFHWYJJTIPCDZ-UHFFFAOYSA-N;145.21;-0.71;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_P3";;;;;;;-1.1;;-6.33;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM451232;MM451232;C#CC(CC)=C(C)C1CC1;MZQFOYKJKWFYGP-UHFFFAOYSA-N;134.22;2.76;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1_SC5";;;;;;;3.68;;0.46;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM451233;MM451233;COCC=NNCCCF;XTKFDRLBHHPZIS-UHFFFAOYSA-N;148.18;0.57;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_Nda";;;;;;;0.04;;-2.73;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM451234;MM451234;CNCCNN=CCCN;AQAJUWYGIAJEHJ-UHFFFAOYSA-N;144.22;-0.87;;;;;DOPC;MDCG;27;1;"MARTINI bead: P2_P1";;;;;;;-1.06;;-6.3;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM451235;MM451235;C#CC(CN)=C(C)C1CC1;IOTSMKGQNWRDRU-UHFFFAOYSA-N;135.21;1.3;;;;;DOPC;MDCG;27;1;"MARTINI bead: SC5_Nd";;;;;;;1.64;;-1.67;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM451236;MM451236;C#CC(CO)=C(C)C1CC1;DDEDWBBTJOLGOM-UHFFFAOYSA-N;136.19;1.34;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC5_Nda";;;;;;;1.64;;0.05;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM451237;MM451237;COCCNN=CCCN;VMTSKEUTTHAKKZ-UHFFFAOYSA-N;145.21;-0.44;;;;;DOPC;MDCG;27;1;"MARTINI bead: Na_P2";;;;;;;-0.24;;-5.65;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM451238;MM451238;CNc1nnc(C)n1N;WPOCURMEJCGJJK-UHFFFAOYSA-N;127.15;-0.66;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP1_SP2";;;;;;;-1.06;;-3.82;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM451239;MM451239;C#CC(CF)=C(C)C1CC1;MINGWNHNUINWJI-UHFFFAOYSA-N;138.19;2.32;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC5_C4";;;;;;;2.97;;0.45;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM451240;MM451240;COCC=NNCCOC;PMNIOPNCXOTAAY-UHFFFAOYSA-N;146.19;-0.15;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_Na";;;;;;;-0.24;;-3.24;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM451241;MM451241;C#CC(CN)=C(C)C1CN1;BQFHNTSOJKEXQY-UHFFFAOYSA-N;136.2;-0.13;;;;;DOPC;MDCG;27;1;"MARTINI bead: SP2_Nd";;;;;;;-0.24;;-4.92;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM451242;MM451242;CCCCOC=CCCN;IJLWUEMXQAWHRR-UHFFFAOYSA-N;143.23;1.67;;;;;DOPC;MDCG;27;1;"MARTINI bead: C1_P1";;;;;;;2.08;;-1.14;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM451243;MM451243;C#CC(CC)=C(C)C1CO1;QJOITHAKEWIBJX-UHFFFAOYSA-N;136.19;1.74;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1_SP1";;;;;;;2.08;;0.48;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM451244;MM451244;CCCC=COCCCN;GBJXMIDRPDQERS-UHFFFAOYSA-N;143.23;1.67;;;;;DOPC;MDCG;27;1;"MARTINI bead: C4_Nd";;;;;;;2.2;;-2.15;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM451245;MM451245;C#CC(CN)=C(C)C1CO1;AMOSEMXYHWJHGC-UHFFFAOYSA-N;137.18;0.29;;;;;DOPC;MDCG;27;1;"MARTINI bead: SP1_Nd";;;;;;;0.04;;-4.4;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM451246;MM451246;C#CC(CO)=C(C)C1CO1;ICNOLVLITWGCQD-UHFFFAOYSA-N;138.17;0.33;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP1_Nda";;;;;;;0.04;;-2.73;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM451247;MM451247;CCCC=COCCCO;BSASVRHBCQDHDY-UHFFFAOYSA-N;144.21;1.7;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4_Nda";;;;;;;2.2;;0.49;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM451248;MM451248;CCCC=COCCNC;OWECHHZVBIPUJU-UHFFFAOYSA-N;143.23;1.54;;;;;DOPC;MDCG;27;1;"MARTINI bead: C4_Nd";;;;;;;2.2;;-1.73;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM451249;MM451249;C#CC(OC)=C(C)C1CO1;DMTLJXPNVVOXCP-UHFFFAOYSA-N;138.17;0.94;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4_SP1";;;;;;;1.37;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM451250;MM451250;C=CC(C=C)=C(C)C1CC1;ZCJUEERDJRLTMB-UHFFFAOYSA-N;134.22;3.08;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC5_C1";;;;;;;3.68;;0.46;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM451251;MM451251;CNCC=COCCNC;WPFBGLKUSQLPBP-UHFFFAOYSA-N;144.22;-0.04;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1_Nd";;;;;;;0.04;;-5.14;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM451252;MM451252;CCOC=COCCCN;KXCXTHBBROKCHQ-UHFFFAOYSA-N;145.2;0.86;;;;;DOPC;MDCG;27;1;"MARTINI bead: C5_P2";;;;;;;0.54;;-3.8;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM451253;MM451253;C=CC(C=O)=C(C)C1CC1;VTGZNJGEFVCJEU-UHFFFAOYSA-N;136.19;2.1;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC5_C5";;;;;;;2.41;;0.64;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM451254;MM451254;CCOC=COCCCO;YRBKNWBWZUTTOV-UHFFFAOYSA-N;146.19;0.89;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_P1";;;;;;;0.81;;-0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM451255;MM451255;C=CC(C#N)=C(C)C1CC1;LHDVFPTUUIWEIN-UHFFFAOYSA-N;133.19;2.42;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC5_C4";;;;;;;2.97;;0.45;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM451256;MM451256;CCOC=COCCNC;XJJJHUNBBFUWES-UHFFFAOYSA-N;145.2;0.73;;;;;DOPC;MDCG;27;1;"MARTINI bead: C5_P2";;;;;;;0.54;;-3.38;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM451257;MM451257;CC(=C(C#N)C=O)C1CC1;CHZFEIXVYDXDDI-UHFFFAOYSA-N;135.17;1.44;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC5_Na";;;;;;;1.64;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM451258;MM451258;CCOC=COCCOC;SXWAYKQULOKCMZ-UHFFFAOYSA-N;146.19;1.16;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_P2";;;;;;;0.54;;-1.09;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM451259;MM451259;CC(=C(C#N)C#N)C1CC1;NBGFGYXYMAHCID-UHFFFAOYSA-N;132.17;1.76;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC5_N0";;;;;;;1.94;;0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM451260;MM451260;CCCC=COCOCC;HSZLYGUSCFMFLP-UHFFFAOYSA-N;144.21;2.31;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1_P1";;;;;;;2.08;;0.48;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM451261;MM451261;C=CC(C=O)=C(N)C1CC1;UKIQMDNDOHEHDL-UHFFFAOYSA-N;137.18;0.99;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC5_Nda";;;;;;;1.64;;0.05;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM451262;MM451262;CCOCOC=CCCO;VYODCFNYLBUTHF-UHFFFAOYSA-N;146.19;0.89;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_Nda";;;;;;;0.87;;-1.99;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM451263;MM451263;C=CC(C#N)=C(N)C1CC1;GIGQWUNXNICMMR-UHFFFAOYSA-N;134.18;1.32;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC5_Nd";;;;;;;1.64;;0.02;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM451264;MM451264;CCOCOC=CCNC;VQBFKNBNKWILKB-UHFFFAOYSA-N;145.2;0.73;;;;;DOPC;MDCG;27;1;"MARTINI bead: Na_Nd";;;;;;;0.87;;-3.97;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM451265;MM451265;NC(=C(C=O)C=O)C1CC1;RLDKNZAGVSDADT-UHFFFAOYSA-N;139.15;0.01;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC5_P2";;;;;;;0.54;;-1.09;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM451266;MM451266;CCOCOC=CCOC;YHYKLPMJMDCGKQ-UHFFFAOYSA-N;146.19;1.16;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_Na";;;;;;;0.87;;-2.22;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM451267;MM451267;N#CC(C=O)=C(N)C1CC1;GSKKOKDDCFEJKB-UHFFFAOYSA-N;136.15;0.33;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC5_P2";;;;;;;0.54;;-1.09;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM451268;MM451268;CCOC=COCOCC;VBTVJIPEUICTMT-UHFFFAOYSA-N;146.19;1.5;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_Na";;;;;;;0.87;;-2.22;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM451269;MM451269;N#CC(C#N)=C(N)C1CC1;TUACYZLVYMDXRP-UHFFFAOYSA-N;133.15;0.66;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC5_P1";;;;;;;0.81;;-0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM451270;MM451270;CCCCOC=NOCC;MRIYNRUKYOHTOA-UHFFFAOYSA-N;145.2;1.78;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1_P1";;;;;;;2.08;;0.48;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM451271;MM451271;C=CC(C=C)=C(F)C1CC1;JPLOCHWMHPRGBY-UHFFFAOYSA-N;138.19;2.99;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC5_C1";;;;;;;3.68;;0.46;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM451272;MM451272;CCON=COCCCN;YFPJAZWUGYVDJV-UHFFFAOYSA-N;146.19;0.33;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1_Nd";;;;;;;0.04;;-5.36;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM451273;MM451273;C=CC(C=O)=C(F)C1CC1;CJXTXKUXNWDOHN-UHFFFAOYSA-N;140.16;2;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC5_C5";;;;;;;2.41;;0.64;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM451274;MM451274;NC1=C(C=O)N=CC1=O;ZKDKKNKJZGTTHG-UHFFFAOYSA-N;124.1;-0.99;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP1_SNa";;;;;;;0.04;;-2.54;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM451275;MM451275;CCCC=NOCCCN;KPZZWYHTCXLHSY-UHFFFAOYSA-N;144.22;1.14;;;;;DOPC;MDCG;27;1;"MARTINI bead: Na_Nd";;;;;;;0.87;;-4.6;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM451276;MM451276;N#CC(C#N)=C(F)C1CC1;NJRYYGIFJWYFDO-UHFFFAOYSA-N;136.13;1.67;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC5_Na";;;;;;;1.64;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM451277;MM451277;CCCC=NOCCCF;QWSBYEDGZCVELI-UHFFFAOYSA-N;147.19;2.15;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_C4";;;;;;;2.2;;0.34;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM451278;MM451278;C=CC(C#N)=C(C)C1CN1;ZRKKOPZFXXJJAT-UHFFFAOYSA-N;134.18;0.98;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP2_C4";;;;;;;1.09;;-0.37;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM451279;MM451279;CNCCON=CCOC;NMWVOONMJSPXQX-UHFFFAOYSA-N;146.19;-0.15;;;;;DOPC;MDCG;27;1;"MARTINI bead: P2_Na";;;;;;;-0.24;;-4.63;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM451280;MM451280;CC(=C(C#N)C=O)C1CN1;KOYSLAGHGGECKW-UHFFFAOYSA-N;136.15;;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP2_Na";;;;;;;-0.24;;-3.24;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM451281;MM451281;CNCC=NOCCOC;XDNAIMAOPZTMNI-UHFFFAOYSA-N;146.19;-0.15;;;;;DOPC;MDCG;27;1;"MARTINI bead: P2_Na";;;;;;;-0.24;;-4.38;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM451282;MM451282;CC(=C(C#N)C#N)C1CN1;IGTIWJBWNAIEEK-UHFFFAOYSA-N;133.15;0.32;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP2_N0";;;;;;;0.06;;-2.21;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM451283;MM451283;CCOC=NOCCCN;OSIOTSBKCLNXIY-UHFFFAOYSA-N;146.19;0.33;;;;;DOPC;MDCG;27;1;"MARTINI bead: Na_P1";;;;;;;0.04;;-5.25;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM451284;MM451284;C=CC(C=O)=C(N)C1CN1;SNXSWVUMGOCZBJ-UHFFFAOYSA-N;138.17;-0.44;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP2_Nda";;;;;;;-0.24;;-3.31;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM451285;MM451285;CC(C)CONC(=N)C#N;KVCQSQLDWYGFMT-UHFFFAOYSA-N;141.17;0.66;;;;;DOPC;MDCG;27;0;"MARTINI bead: C3_P3";;;;;;;0.6;;-0.8;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM451286;MM451286;CCc1onc(C)c1N;YBGHRYALKWEVHX-UHFFFAOYSA-N;126.16;1.13;;;;;DOPC;MDCG;27;0;"MARTINI bead: SN0_SNda";;;;;;;1.17;;-1.13;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM451287;MM451287;CCOC=NOCCOC;MZDQTXICWCLTES-UHFFFAOYSA-N;147.17;0.63;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_Na";;;;;;;0.87;;-2.22;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM451288;MM451288;N#CC(C#N)=C(N)C1CN1;AHTWLMRCTHZLIT-UHFFFAOYSA-N;134.14;-0.78;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP2_P1";;;;;;;-1.06;;-3.82;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM451289;MM451289;CCOCON=CCCN;MGBULKPDYMHAAC-UHFFFAOYSA-N;146.19;0.33;;;;;DOPC;MDCG;27;1;"MARTINI bead: Na_P2";;;;;;;-0.24;;-5.64;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM451290;MM451290;C=CC(C=C)=C(F)C1CN1;YQZQFMSHTIQAMN-UHFFFAOYSA-N;139.17;1.55;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP2_C1";;;;;;;1.8;;0.41;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM451291;MM451291;CCOC=NOCOCC;MITDIRYGNUCKRQ-UHFFFAOYSA-N;147.17;0.98;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_Na";;;;;;;0.87;;-2.22;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM451292;MM451292;N#CC(C=O)=C(F)C1CN1;QMBQKEHPWGSPLL-UHFFFAOYSA-N;140.12;-0.1;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP2_Na";;;;;;;-0.24;;-3.24;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM451293;MM451293;C=CCC=CCCCCC;PIJZNCJOLUODIA-UHFFFAOYSA-N;138.25;3.7;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1_C1";;;;;;;4.95;;0.69;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM451294;MM451294;C=CC(C=C)=C(C)C1CO1;IJKPTCCBXQDQNO-UHFFFAOYSA-N;136.19;2.07;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP1_C1";;;;;;;2.08;;0.48;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM451295;MM451295;CCCCCC=CCC#N;JXCKIGHIPAZWGQ-UHFFFAOYSA-N;137.23;3.04;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1_C5";;;;;;;3.68;;0.46;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM451296;MM451296;C=CC(C=O)=C(C)C1CO1;DCJBSAAMCKXJSZ-UHFFFAOYSA-N;138.17;1.09;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP1_C5";;;;;;;0.81;;-0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM451297;MM451297;C=CCC=CCCCCN;DZFNTBRFLSPSIS-UHFFFAOYSA-N;139.24;2.25;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_C2";;;;;;;2.83;;-0.75;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM451298;MM451298;C=CC(C#N)=C(C)C1CO1;ZSIHNNZDRYRAQE-UHFFFAOYSA-N;135.17;1.41;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP1_C4";;;;;;;1.37;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM451299;MM451299;C=C(C)CONC(=N)C#N;OLRXJBGFDGFWSK-UHFFFAOYSA-N;139.16;0.58;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda_P1";;;;;;;0.04;;-2.73;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM451300;MM451300;CC(=C(C#N)C=O)C1CO1;SVTDCJZSKFFRTE-UHFFFAOYSA-N;137.14;0.42;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP1_Na";;;;;;;0.04;;-2.54;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM451301;MM451301;C=COC(=NOC)C(F)F;WPTGANCXOLHLKZ-UHFFFAOYSA-N;151.11;1.37;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_N0";;;;;;;1.17;;-1.18;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM451302;MM451302;CC(=C(C#N)C#N)C1CO1;LRYJLDBIYLZZID-UHFFFAOYSA-N;134.14;0.75;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP1_N0";;;;;;;0.34;;-1.53;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM451303;MM451303;C=C(CC1CN1C)C(C)=O;XHUNFIUXACOMCV-UHFFFAOYSA-N;139.2;0.84;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP1_Na";;;;;;;0.04;;-2.54;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM451304;MM451304;N#CC(C#N)=C(N)C1CO1;WUMIEQADAPXYIT-UHFFFAOYSA-N;135.13;-0.35;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP1_P1";;;;;;;-0.79;;-3.13;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM451305;MM451305;O=CCC=CCCCCF;OLHSODPFRBQYHL-UHFFFAOYSA-N;144.19;2.27;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4_C5";;;;;;;2.97;;0.45;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM451306;MM451306;CC(=C(C#N)C=O)N1CC1;POZBOETVFRJXNZ-UHFFFAOYSA-N;136.15;0.3;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP2_Na";;;;;;;-0.24;;-3.24;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM451307;MM451307;CNCCCC=CCC#N;HHUCDIJTQXJVPK-UHFFFAOYSA-N;138.21;1.46;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_C5";;;;;;;1.64;;-3.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM451308;MM451308;CC(=C(C#N)C#N)N1CC1;KWDLFRIEROTZDN-UHFFFAOYSA-N;133.15;0.62;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP2_N0";;;;;;;0.06;;-2.21;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM451309;MM451309;COCCCC=CCC#N;HIQOWLKLCZICAJ-UHFFFAOYSA-N;139.2;1.88;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_C5";;;;;;;1.64;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM451310;MM451310;C=CC(C=O)=C(N)N1CC1;ZYBHERUZCSUHBS-UHFFFAOYSA-N;138.17;-0.14;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP2_Nda";;;;;;;-0.24;;-3.31;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM451311;MM451311;NCCCCC=CNC=O;KQNNVWJWBLHQTQ-UHFFFAOYSA-N;142.2;0.38;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_P2";;;;;;;-0.24;;-5.94;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM451312;MM451312;C=CC(C#N)=C(N)N1CC1;XACPRYCBBVASQL-UHFFFAOYSA-N;135.17;0.18;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP2_Nd";;;;;;;-0.24;;-3.16;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM451313;MM451313;N=CNC=CCCCCO;AGRALPDRPUZYEF-UHFFFAOYSA-N;142.2;0.86;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nda_P1";;;;;;;0.04;;-6.76;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM451314;MM451314;N#CC(C=O)=C(N)N1CC1;CENGIYLVSJTPDV-UHFFFAOYSA-N;137.14;-0.81;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP2_P2";;;;;;;-1.34;;-4.31;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM451315;MM451315;O=CNC=CCCCCF;NRLDIURXXIEMMM-UHFFFAOYSA-N;145.18;1.39;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4_P2";;;;;;;1.09;;-0.38;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM451316;MM451316;N#CC(C#N)=C(N)N1CC1;GSJMPQZTQZMLFP-UHFFFAOYSA-N;134.14;-0.48;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP2_P1";;;;;;;-1.06;;-3.82;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM451317;MM451317;CNCCCC=CNC=N;JUMMSRUILIAZHD-UHFFFAOYSA-N;141.22;0.7;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_P2";;;;;;;-0.24;;-7.23;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM451318;MM451318;C#CC(C=C)=C(C)C1CC1;XSPZFVIDAVVOSV-UHFFFAOYSA-N;132.21;2.53;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC5_C3";;;;;;;3.34;;0.48;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM451319;MM451319;NCCCCC=COC=O;PUDRJURGWVLYQP-UHFFFAOYSA-N;143.19;0.8;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_Na";;;;;;;0.87;;-4.68;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM451320;MM451320;C#CC(C=O)=C(C)C1CC1;XLYPOBZCISKDPR-UHFFFAOYSA-N;134.18;1.55;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC5_Na";;;;;;;1.64;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM451321;MM451321;CC1(C=O)CN=C(C=O)N1;WDPILMQCXPOHLB-UHFFFAOYSA-N;140.14;-0.86;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP2_SP2";;;;;;;-1.34;;-4.31;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM451322;MM451322;C#CC(C#N)=C(C)C1CC1;FUHFSJIBZNIUGY-UHFFFAOYSA-N;131.18;1.87;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC5_C5";;;;;;;2.41;;0.64;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM451323;MM451323;C=CCC=CCCNCC;XGYOMZBICCIAFL-UHFFFAOYSA-N;139.24;2.12;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_C1";;;;;;;2.91;;-0.87;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM451324;MM451324;C#CC(C=O)=C(N)C1CC1;FZMHFULYTVFIRN-UHFFFAOYSA-N;135.17;0.44;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC5_P1";;;;;;;0.81;;-0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM451325;MM451325;C=CCC=CCCOCC;CZEOUPJZEGRJFW-UHFFFAOYSA-N;140.23;2.55;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4_C3";;;;;;;3.9;;0.47;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM451326;MM451326;C#CC(C#N)=C(N)C1CC1;RHAHLZLFWBFYCY-UHFFFAOYSA-N;132.17;0.77;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC5_P1";;;;;;;0.81;;-0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM451327;MM451327;CCOCCC=CCC=O;ZHWFSHYSAWVQPZ-UHFFFAOYSA-N;142.2;1.56;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4_Na";;;;;;;2.2;;0.34;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM451328;MM451328;C#CC(C=C)=C(F)C1CC1;BKQXVJFFIQMRLV-UHFFFAOYSA-N;136.17;2.44;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC5_C4";;;;;;;2.97;;0.45;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM451329;MM451329;CCOCCC=CCC#N;OTAQUVKEDRRWNA-UHFFFAOYSA-N;139.2;1.88;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_N0";;;;;;;1.94;;0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM451330;MM451330;C#CC(C=O)=C(F)C1CC1;HJTNGIXRPHSSKS-UHFFFAOYSA-N;138.14;1.45;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC5_Na";;;;;;;1.64;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM451331;MM451331;CCOCCC=CNC=N;STHQJVXLXVZNCA-UHFFFAOYSA-N;142.2;1.12;;;;;DOPC;MDCG;27;1;"MARTINI bead: C5_P2";;;;;;;0.54;;-5.11;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM451332;MM451332;C#CC(C#N)=C(F)C1CC1;AGGBSDVSEONSPD-UHFFFAOYSA-N;135.14;1.78;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC5_Na";;;;;;;1.64;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM451333;MM451333;C=COC=CCCOCC;GECZWEPWJRCUFN-UHFFFAOYSA-N;142.2;2.09;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_C5";;;;;;;2.41;;0.64;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM451334;MM451334;C#CC(C#N)=C(C)C1CN1;HKPBUPFRZCGNJW-UHFFFAOYSA-N;132.17;0.43;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP2_C5";;;;;;;0.54;;-1.09;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM451335;MM451335;NCCCCC=NNC=O;SUJVWBRMFOUHAV-UHFFFAOYSA-N;143.19;-0.15;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_P1";;;;;;;0.04;;-5.42;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM451336;MM451336;C#CC(C=O)=C(N)C1CN1;BBCGLTJDMLMIJJ-UHFFFAOYSA-N;136.15;-1;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP2_P1";;;;;;;-1.06;;-3.82;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM451337;MM451337;COCCCC=NNC=O;JKRJAQWXRNBOET-UHFFFAOYSA-N;144.17;0.14;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4_P4";;;;;;;0.15;;-2.18;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM451338;MM451338;C#CC(C#N)=C(N)C1CN1;IPALCECVNSIKRX-UHFFFAOYSA-N;133.15;-0.67;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP2_P1";;;;;;;-1.06;;-3.82;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM451339;MM451339;CCCCCC=NOC=O;PCFWNYMIWLCISL-UHFFFAOYSA-N;143.19;1.73;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1_P1";;;;;;;2.08;;0.48;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM451340;MM451340;C#CC(C=O)=C(F)C1CN1;IPIGHYABSYWONC-UHFFFAOYSA-N;139.13;0.01;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP2_Na";;;;;;;-0.24;;-3.24;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM451341;MM451341;N=CC=CNNC(=N)C=O;HQIYGXMWDUQQAH-UHFFFAOYSA-N;140.15;-0.58;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_P2";;;;;;;-1.34;;-4.31;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM451342;MM451342;C#CC(C=C)=C(C)C1CO1;ZDMCFOBRNAWCFG-UHFFFAOYSA-N;134.18;1.52;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP1_C3";;;;;;;1.74;;0.29;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM451343;MM451343;CCNCCC=NNC=N;DXNLDSKDAFAGDQ-UHFFFAOYSA-N;142.21;0.17;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_P1";;;;;;;0.04;;-4.97;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM451344;MM451344;C#CC(C=O)=C(C)C1CO1;XJNCHVBCJLQBNE-UHFFFAOYSA-N;136.15;0.53;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP1_Na";;;;;;;0.04;;-2.54;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM451345;MM451345;CCNCCC=NNC=O;XKNMMMSAWDXLDZ-UHFFFAOYSA-N;143.19;-0.28;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_P1";;;;;;;0.04;;-4.96;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM451346;MM451346;C#CC(C#N)=C(C)C1CO1;GHBYADKYXTVTIR-UHFFFAOYSA-N;133.15;0.86;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP1_C5";;;;;;;0.81;;-0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM451347;MM451347;CCOCCC=NNC=O;JWSGUILNEQSFGT-UHFFFAOYSA-N;144.17;0.14;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_P2";;;;;;;0.54;;-1.09;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM451348;MM451348;C#CC(C#N)=C(N)C1CO1;WIVFCPWJOZKRQK-UHFFFAOYSA-N;134.14;-0.25;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP1_P1";;;;;;;-0.79;;-3.13;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM451349;MM451349;C#CC(C=C)=C(F)C1CO1;KAPZUOSJGHUMAJ-UHFFFAOYSA-N;138.14;1.43;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP1_C4";;;;;;;1.37;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM451350;MM451350;C=CCC=CCNCCC;AAOXBUOGDLDMPE-UHFFFAOYSA-N;139.24;2.12;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_C1";;;;;;;2.91;;-0.31;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM451351;MM451351;C#CC(C=O)=C(C)N1CC1;UKUIHXMAKVKDSC-UHFFFAOYSA-N;135.17;0.41;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP2_Na";;;;;;;-0.24;;-3.24;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM451352;MM451352;CCCNCC=CCC#N;BYOLSYDRXYONGS-UHFFFAOYSA-N;138.21;1.46;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_C5";;;;;;;1.64;;-2.42;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM451353;MM451353;C#CC(C#N)=C(C)N1CC1;VXAIYZPDJDMKSE-UHFFFAOYSA-N;132.17;0.73;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP2_C5";;;;;;;0.54;;-1.09;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM451354;MM451354;C=CCC=CCOCCC;VIQFFHXQEKZVMO-UHFFFAOYSA-N;140.23;2.55;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_C2";;;;;;;2.83;;0.35;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM451355;MM451355;C#CC(C=O)=C(N)N1CC1;HVKDTDGNRKDVCJ-UHFFFAOYSA-N;136.15;-0.7;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP2_P1";;;;;;;-1.06;;-3.82;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM451356;MM451356;CCCOCC=CCC#N;FBDGRJQRILEFKC-UHFFFAOYSA-N;139.2;1.88;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_N0";;;;;;;1.17;;-1.18;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM451357;MM451357;C#CC(C#N)=C(N)N1CC1;KCEUWFWOLKMWBE-UHFFFAOYSA-N;133.15;-0.37;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP2_P1";;;;;;;-1.06;;-3.82;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM451358;MM451358;C=CCC=CCOCCO;XXDKBAAXGUKGLN-UHFFFAOYSA-N;142.2;1.13;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_C2";;;;;;;1.72;;0.27;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM451359;MM451359;C#CC(C#C)=C(C)C1CC1;OQSQMTSIUPLUMM-UHFFFAOYSA-N;130.19;1.98;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC5_C4";;;;;;;2.97;;0.45;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM451360;MM451360;O=CNC=CCOCCF;JMJJRSWXIHZRBN-UHFFFAOYSA-N;147.15;0.23;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_P2";;;;;;;-0.24;;-3.24;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM451361;MM451361;C#CC(C#C)=C(F)C1CC1;NKZWVPQLDUZRGQ-UHFFFAOYSA-N;134.15;1.89;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC5_C5";;;;;;;2.41;;0.64;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM451362;MM451362;C=COC=CCOCCC;IZVAUTQLUIGTBV-UHFFFAOYSA-N;142.2;2.09;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_C5";;;;;;;1.64;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM451363;MM451363;C#CC(C#C)=C(F)C1CN1;JYTWIKMGRHOWFC-UHFFFAOYSA-N;135.14;0.45;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP2_C5";;;;;;;0.54;;-1.09;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM451364;MM451364;C=COC=CCOCCO;SPIZHZRJJGCPCB-UHFFFAOYSA-N;144.17;0.67;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_C5";;;;;;;0.54;;-1.09;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM451365;MM451365;C#CC(C#C)=C(C)C1CO1;UDSPYGXRBPNNFY-UHFFFAOYSA-N;132.16;0.97;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP1_C4";;;;;;;1.37;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM451366;MM451366;N=CNN=CCOCCN;LBDHEUAMZGAAHU-UHFFFAOYSA-N;144.18;-0.86;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1_P2";;;;;;;-1.06;;-5.86;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM451367;MM451367;N#CC1C=NN(C=N)C1;HFPNWKKFUGWYFZ-UHFFFAOYSA-N;122.13;0.03;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP2_SP1";;;;;;;-1.06;;-3.82;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM451368;MM451368;NCCOCC=NNC=O;HYOYDKOHLAYXJD-UHFFFAOYSA-N;145.16;-1.31;;;;;DOPC;MDCG;27;1;"MARTINI bead: P2_P2";;;;;;;-1.34;;-6.34;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM451369;MM451369;CC(CCN)C(N)C1CC1;VOCVSAHXOPRSGE-UHFFFAOYSA-N;142.25;0.71;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_SNd";;;;;;;0.87;;-5.41;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM451370;MM451370;O=CNN=CCOCCO;KSBSXEYKUAAERH-UHFFFAOYSA-N;146.15;-1.27;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_P2";;;;;;;-1.06;;-3.82;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM451371;MM451371;CCCC(O)C(N)C1CC1;YQVSRBDSXGJLRL-UHFFFAOYSA-N;143.23;0.88;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nda_SNd";;;;;;;0.87;;-4.45;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM451372;MM451372;O=CNN=CCOCCF;NPPCRVPCUSNAEB-UHFFFAOYSA-N;148.14;-0.3;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_P2";;;;;;;-0.24;;-3.24;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM451373;MM451373;CCCN(C)C(C)C1CC1;REPKAKLGKAHXET-UHFFFAOYSA-N;141.26;2.13;;;;;DOPC;MDCG;27;1;"MARTINI bead: C4_SC5";;;;;;;2.97;;-0.49;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM451374;MM451374;NCCOCC=NOC=O;YDLCRIAQLDOLLM-UHFFFAOYSA-N;146.15;-0.88;;;;;DOPC;MDCG;27;1;"MARTINI bead: P2_P1";;;;;;;-1.06;;-5.86;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM451375;MM451375;CCCC(C)N(C)C1CC1;OOOKJPIOQLUTHK-UHFFFAOYSA-N;141.26;2.27;;;;;DOPC;MDCG;27;1;"MARTINI bead: C1_SNd";;;;;;;2.91;;-0.48;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM451376;MM451376;C=CNC=NCCCCN;JTZOCPXSJCBLQB-UHFFFAOYSA-N;141.22;0.49;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1_Nd";;;;;;;0.04;;-5.93;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM451377;MM451377;CC(CCN)C(C)C1CN1;HWRNVVLJDXEATG-UHFFFAOYSA-N;142.25;0.58;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_SNd";;;;;;;0.87;;-4.91;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM451378;MM451378;C=CNC=NCCCCF;XVSJHHBBJWTXHW-UHFFFAOYSA-N;144.19;1.5;;;;;DOPC;MDCG;27;1;"MARTINI bead: Na_Nd";;;;;;;0.87;;-5.12;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM451379;MM451379;CCCC(N)C(C)C1CN1;SHBZGEBKDBPGGU-UHFFFAOYSA-N;142.25;0.72;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_SNd";;;;;;;0.87;;-4.87;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM451380;MM451380;C=CNC=NCCNCC;IKHHDHIPNGKABO-UHFFFAOYSA-N;141.22;0.36;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_P2";;;;;;;-0.24;;-6.11;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM451381;MM451381;CCCC(C)C(C)C1CO1;FNAGFVOZRNRPJJ-UHFFFAOYSA-N;142.24;2.46;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1_SNa";;;;;;;2.91;;0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM451382;MM451382;CCCCN=CNCC=O;UYJQYSZGHROXGR-UHFFFAOYSA-N;142.2;0.6;;;;;DOPC;MDCG;27;1;"MARTINI bead: C3_P5";;;;;;;0.59;;-4.16;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM451383;MM451383;CC(CCN)C(C)C1CO1;OFTZVDCEOSOKQJ-UHFFFAOYSA-N;143.23;1.01;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_SNa";;;;;;;0.87;;-4.67;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM451384;MM451384;N#CCNC=NCCCO;SJEAUSKSDOCEHR-UHFFFAOYSA-N;141.17;-0.49;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nda_P2";;;;;;;-0.24;;-4.57;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM451385;MM451385;CCCC(O)C(C)C1CO1;FMEHGLUPYFMDKT-UHFFFAOYSA-N;144.21;1.18;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda_SNa";;;;;;;0.87;;-1.99;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM451386;MM451386;CNCCNC=NCC#N;MAFZCBSJOHMMFG-UHFFFAOYSA-N;140.19;-0.65;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1_P1";;;;;;;-0.79;;-4.73;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM451387;MM451387;CC(CCN)C(N)C1CO1;DKFXDVHPLKHEPV-UHFFFAOYSA-N;144.22;-0.3;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_SP2";;;;;;;-0.24;;-6.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM451388;MM451388;CCCCN=CNNC=N;RJOZBWBUBVHGBS-UHFFFAOYSA-N;142.21;0.52;;;;;DOPC;MDCG;27;1;"MARTINI bead: C5_P3";;;;;;;-0.33;;-4.33;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM451389;MM451389;CCCC(N)C(C)N1CC1;BUDXFKKGQPVWQG-UHFFFAOYSA-N;142.25;0.82;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_SNd";;;;;;;0.87;;-4.39;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM451390;MM451390;C=CNC(=NC)C(=O)C#N;WMOULKHXFYAVGV-UHFFFAOYSA-N;137.14;-0.16;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nd_P1";;;;;;;0.04;;-2.63;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM451391;MM451391;C=CCC(C)C(C)C1CC1;LGHFJYCDSXLAHP-UHFFFAOYSA-N;138.25;3.24;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1_SC3";;;;;;;4.61;;0.31;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM451392;MM451392;N=C(NN)c1noc(=O)o1;SNRKEDXIRMMSMA-UHFFFAOYSA-N;144.09;-1.58;;;;;DOPC;MDCG;27;0;"MARTINI bead: P4_SP2";;;;;;;-2.29;;-5.95;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM451393;MM451393;CC(C(O)CC#N)C1CC1;ZNFONEZVRPFZOR-UHFFFAOYSA-N;139.2;1.31;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_SC3";;;;;;;1.46;;-0.15;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM451394;MM451394;CNc1cn(N)cnc1=O;JNFOIDVOVWBUNK-UHFFFAOYSA-N;140.15;-1;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNd_SP3";;;;;;;-1.1;;-3.93;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM451395;MM451395;C=CCC(C)C(N)C1CC1;MXGMQGKUNSRQFN-UHFFFAOYSA-N;139.24;1.94;;;;;DOPC;MDCG;27;1;"MARTINI bead: C1_SNd";;;;;;;2.91;;-0.86;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM451396;MM451396;CCCON=CNNC=N;XQZFXYWRZAEDGV-UHFFFAOYSA-N;144.18;0.06;;;;;DOPC;MDCG;27;1;"MARTINI bead: Na_P4";;;;;;;-1.19;;-6.92;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM451397;MM451397;C=CCC(C)N(C)C1CC1;QJMGQAVVFCCKTF-UHFFFAOYSA-N;139.24;2.05;;;;;DOPC;MDCG;27;1;"MARTINI bead: C1_SNd";;;;;;;2.91;;-0.44;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM451398;MM451398;CNC(C#N)C(C=O)=CN;BADUGBZZSCJHIO-UHFFFAOYSA-N;139.16;-0.86;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_P2";;;;;;;-1.34;;-4.31;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM451399;MM451399;C=CCC(C)C(N)C1CN1;JYCXNSWSLZOZOI-UHFFFAOYSA-N;140.23;0.5;;;;;DOPC;MDCG;27;1;"MARTINI bead: C1_SP2";;;;;;;1.8;;-1.17;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM451400;MM451400;C=CC#CCC(CF)=NN;DEOZWOQKMPDUOF-UHFFFAOYSA-N;140.16;0.85;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_C4";;;;;;;1.37;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM451401;MM451401;C=CCC(N)C(O)C1CN1;GKAVSFNFSJVICB-UHFFFAOYSA-N;142.2;-0.78;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_SP2";;;;;;;-0.24;;-5.24;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM451402;MM451402;C=C1CCN(C=O)CC1=O;NXGSEFXWMISWHD-UHFFFAOYSA-N;139.15;-0.03;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP2_SNda";;;;;;;-0.24;;-3.31;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM451403;MM451403;C=CCC=NNCCOC;HFFSODXDFCMGIM-UHFFFAOYSA-N;142.2;0.78;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_Nd";;;;;;;0.87;;-1.88;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM451404;MM451404;C=CCC(N)C(C)N1CC1;KXFXVIPAUZXMHZ-UHFFFAOYSA-N;140.23;0.59;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_SNd";;;;;;;0.87;;-4.35;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM451405;MM451405;C#CCC(C)C(C)C1CC1;FDNRNFHCKBGYGZ-UHFFFAOYSA-N;136.24;2.69;;;;;DOPC;MDCG;27;0;"MARTINI bead: C3_SC3";;;;;;;4.27;;0.2;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM451406;MM451406;C=CNC=NNCCCN;FJSXRSBZDVIDHX-UHFFFAOYSA-N;142.21;-0.4;;;;;DOPC;MDCG;27;1;"MARTINI bead: P3_Nd";;;;;;;-1.1;;-6.11;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM451407;MM451407;C#CCC(N)C(C)C1CC1;RAYIMIFHPWXUMF-UHFFFAOYSA-N;137.23;1.38;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_SC3";;;;;;;2.57;;-1.47;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM451408;MM451408;C=CNC=NNCCCO;RMSANRCRHOSBEF-UHFFFAOYSA-N;143.19;-0.37;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1_P2";;;;;;;-1.06;;-4.93;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM451409;MM451409;C=CNC=NNCCCF;APFPYXVSSVGUOM-UHFFFAOYSA-N;145.18;0.61;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nda_P1";;;;;;;0.04;;-3.83;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM451410;MM451410;C#CCC(F)C(C)C1CC1;JCFPPIGSWBCBDP-UHFFFAOYSA-N;140.2;2.39;;;;;DOPC;MDCG;27;0;"MARTINI bead: C3_SC5";;;;;;;3.34;;0.48;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM451411;MM451411;C=CNC=NNCCNC;TZTPVTMVAUBMSX-UHFFFAOYSA-N;142.21;-0.53;;;;;DOPC;MDCG;27;1;"MARTINI bead: P3_Nd";;;;;;;-1.1;;-5.49;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM451412;MM451412;C#CCC(N)C(N)C1CN1;MWYJGEBKWXJENV-UHFFFAOYSA-N;139.2;-1.36;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_SP2";;;;;;;-0.24;;-4.99;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM451413;MM451413;CNCCNN=COC=O;VOTWYHYHDJLJGP-UHFFFAOYSA-N;145.16;-1.09;;;;;DOPC;MDCG;27;1;"MARTINI bead: P2_P1";;;;;;;-1.06;;-5.2;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM451414;MM451414;C#CCC(N)C(C)N1CC1;BFDSTVBZSDLQPW-UHFFFAOYSA-N;138.21;0.04;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_SNd";;;;;;;0.87;;-4.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM451415;MM451415;C=CCC=COCCCN;FMIICPQWAFNRLN-UHFFFAOYSA-N;141.21;1.44;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_C5";;;;;;;1.64;;-2.63;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM451416;MM451416;C=C(CCC)C(C)C1CC1;UBYDBLHLCQFSQX-UHFFFAOYSA-N;138.25;3.39;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1_SC5";;;;;;;3.68;;0.46;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM451417;MM451417;N=CNC=COCCCN;CARHEJORGKFSHN-UHFFFAOYSA-N;143.19;0.02;;;;;DOPC;MDCG;27;1;"MARTINI bead: P2_P2";;;;;;;-1.34;;-7.43;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM451418;MM451418;CCCC(=O)C(O)C1CC1;PUFBFECKAUJLFP-UHFFFAOYSA-N;142.2;1.13;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda_SC5";;;;;;;1.64;;0.05;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM451419;MM451419;N=CNC=COCCCO;GGDYDWRVJBOWIC-UHFFFAOYSA-N;144.17;0.05;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nda_P3";;;;;;;-1.1;;-6.83;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM451420;MM451420;CCNC(=N)C(C)C1CC1;XLEASZPNJRJTQD-UHFFFAOYSA-N;140.23;1.62;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_SC5";;;;;;;1.64;;-5.04;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM451421;MM451421;O=CNC=COCCCO;UQPOZFRTKSJXBK-UHFFFAOYSA-N;145.16;-0.4;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_P1";;;;;;;-0.79;;-3.13;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM451422;MM451422;CCCC(=N)N(C)C1CC1;VGPSWRXIZBVOPQ-UHFFFAOYSA-N;140.23;1.86;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_SC5";;;;;;;1.64;;-4.82;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM451423;MM451423;C=COC=COCCCN;IZBRFAWTRXDHMC-UHFFFAOYSA-N;143.19;0.98;;;;;DOPC;MDCG;27;1;"MARTINI bead: P2_C5";;;;;;;0.54;;-3.8;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM451424;MM451424;CCNC(=N)C(N)C1CN1;AXSIMEQDBBXCBG-UHFFFAOYSA-N;142.21;-1.13;;;;;DOPC;MDCG;27;1;"MARTINI bead: P2_SP2";;;;;;;-1.34;;-7.77;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM451425;MM451425;C=COC=COCCCO;YXIXZOVMCVIHED-UHFFFAOYSA-N;144.17;1.02;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda_Na";;;;;;;0.87;;-1.99;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM451426;MM451426;CCNC(=N)C(C)N1CC1;FINSJTVJJILBTL-UHFFFAOYSA-N;141.22;0.28;;;;;DOPC;MDCG;27;1;"MARTINI bead: P2_SNd";;;;;;;-0.24;;-6.95;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM451427;MM451427;C=COC=COCCNC;XQZIUEAKPZBREL-UHFFFAOYSA-N;143.19;0.85;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1_C5";;;;;;;0.81;;-2.79;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM451428;MM451428;CCCC(=N)N(C)N1CC1;NIEZWTJZWYGGBP-UHFFFAOYSA-N;141.22;0.93;;;;;DOPC;MDCG;27;1;"MARTINI bead: N0_SP2";;;;;;;0.06;;-5.57;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM451429;MM451429;C=COC=COCCOC;CLFOEDPGKSEBSY-UHFFFAOYSA-N;144.17;1.28;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_Na";;;;;;;0.87;;-2.22;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM451430;MM451430;C=CCC(=C)C(C)C1CC1;WENFIHCAEJZJMH-UHFFFAOYSA-N;136.24;3.16;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC5_C1";;;;;;;3.68;;0.46;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM451431;MM451431;C=CCC=COCOCC;UVCBAUYIEZYELJ-UHFFFAOYSA-N;142.2;2.09;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_C5";;;;;;;1.64;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM451432;MM451432;C=C(CC#N)C(C)C1CC1;KUYJZKPZVXUXSV-UHFFFAOYSA-N;135.21;2.5;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC5_C4";;;;;;;2.97;;0.45;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM451433;MM451433;C=COC=COCOCC;MVCBKURTYFBBQK-UHFFFAOYSA-N;144.17;1.63;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_C5";;;;;;;0.81;;-0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM451434;MM451434;C=CCC(=O)C(C)C1CC1;FVLIUECUSYFWTN-UHFFFAOYSA-N;138.21;2.18;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC5_C5";;;;;;;2.41;;0.64;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM451435;MM451435;C=Cc1noc(CC)c1N;HDZRUVFGBPGPNV-UHFFFAOYSA-N;138.17;1.46;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNd_SNa";;;;;;;0.87;;-1.88;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM451436;MM451436;CC(C(=O)CC#N)C1CC1;TUCBFGZFJZULGP-UHFFFAOYSA-N;137.18;1.52;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC5_Na";;;;;;;1.64;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM451437;MM451437;CCCCOC=NNC=O;KZHABVDIOPGZKC-UHFFFAOYSA-N;144.17;0.49;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1_P3";;;;;;;0.94;;0.03;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM451438;MM451438;C=CNC(=O)C(C)C1CC1;RNLLRRVKPKSEDC-UHFFFAOYSA-N;139.2;1.29;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC5_Nda";;;;;;;1.64;;0.05;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM451439;MM451439;NCCCOC=NNC=O;OSYQAXIGJAPPOJ-UHFFFAOYSA-N;145.16;-0.96;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_P3";;;;;;;-1.1;;-6.35;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM451440;MM451440;C=CNC(=N)C(N)C1CC1;OLXYKTDMBUFKGA-UHFFFAOYSA-N;139.2;0.43;;;;;DOPC;MDCG;27;1;"MARTINI bead: SC5_P5";;;;;;;-0.34;;-6.18;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM451441;MM451441;C=CNC(=O)C(N)C1CC1;OFZQKDSQFLHDEP-UHFFFAOYSA-N;140.19;-0.02;;;;;DOPC;MDCG;27;1;"MARTINI bead: SC5_P4";;;;;;;-0.41;;-3.85;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM451442;MM451442;O=CNN=COCCCO;SDELZOXLZLCEHG-UHFFFAOYSA-N;146.15;-0.93;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_P2";;;;;;;-1.06;;-3.82;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM451443;MM451443;CNCCOC=NNC=N;FNNPFVUBORIRFJ-UHFFFAOYSA-N;144.18;-0.64;;;;;DOPC;MDCG;27;1;"MARTINI bead: P2_P2";;;;;;;-1.34;;-6.21;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM451444;MM451444;C=CNC(=N)N(C)C1CC1;FMACODBNJCRDES-UHFFFAOYSA-N;139.2;0.75;;;;;DOPC;MDCG;27;1;"MARTINI bead: SC5_P1";;;;;;;0.81;;-5.63;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM451445;MM451445;CNCCOC=NNC=O;YPJCLBMUKJGHAZ-UHFFFAOYSA-N;145.16;-1.09;;;;;DOPC;MDCG;27;1;"MARTINI bead: P2_P2";;;;;;;-1.34;;-6.15;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM451446;MM451446;C=CCC(=O)C(C)C1CO1;GREBNXOSSNUCAJ-UHFFFAOYSA-N;140.18;1.17;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP1_C5";;;;;;;0.81;;-0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM451447;MM451447;CCCCOC=NOC=O;UHLPSMZITRUYLM-UHFFFAOYSA-N;145.16;0.92;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1_P2";;;;;;;1.8;;0.4;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM451448;MM451448;C=CNC(=N)C(C)C1CO1;PGJPJDCXPRCLNH-UHFFFAOYSA-N;140.19;0.73;;;;;DOPC;MDCG;27;1;"MARTINI bead: SP1_Nd";;;;;;;0.04;;-6.84;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM451449;MM451449;C=NNCC=C(F)C#N;OUKBWOZCVHBGNM-UHFFFAOYSA-N;127.12;0.57;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_P2";;;;;;;0.54;;-1.09;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM451450;MM451450;C#CCC(=C)C(C)C1CC1;HRWUEJXRIPKVGD-UHFFFAOYSA-N;134.22;2.61;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC5_C1";;;;;;;3.68;;0.46;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM451451;MM451451;Cn1nc(F)c(N)c1N;RBQQUWQSBCPUKE-UHFFFAOYSA-N;130.13;-0.28;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP1_SP1";;;;;;;-0.79;;-3.13;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM451452;MM451452;C#CCC(=O)C(C)C1CC1;MVARCQRJVHJSPX-UHFFFAOYSA-N;136.19;1.62;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC5_Na";;;;;;;1.64;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM451453;MM451453;CNc1cc(=O)n(N)o1;HLTMLZBXMCRMIL-UHFFFAOYSA-N;129.12;-0.8;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNd_SP2";;;;;;;-0.24;;-3.16;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM451454;MM451454;C#CCC(=O)C(C)C1CO1;IFHUBEDXWHTKCG-UHFFFAOYSA-N;138.17;0.61;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP1_Na";;;;;;;0.04;;-2.54;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM451455;MM451455;C=CCC=NOCCCF;XUGLZECMOFWCFP-UHFFFAOYSA-N;145.18;1.92;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4_Na";;;;;;;2.2;;0.34;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM451456;MM451456;C#CCC(=C)C(N)C1CO1;MYPQSBLPGJENKG-UHFFFAOYSA-N;137.18;0.29;;;;;DOPC;MDCG;27;1;"MARTINI bead: SP1_Nd";;;;;;;0.04;;-4.38;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM451457;MM451457;CC1=NNC(C#N)C1C;LFFHMPCVDBLEAM-UHFFFAOYSA-N;123.16;0.49;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP1_SP1";;;;;;;-0.79;;-3.13;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM451458;MM451458;C=CC(=O)C1CN1N=C;HSGDUCPTPSMQLJ-UHFFFAOYSA-N;124.14;0.04;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_SP2";;;;;;;-0.24;;-3.24;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM451459;MM451459;CNCCON=CCC#N;WBPIAMQGFIOKRU-UHFFFAOYSA-N;141.17;0.12;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1_Na";;;;;;;0.04;;-3.92;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM451460;MM451460;CC(C)NN=CC(C)(F)F;LYUNEUZPURNQRX-UHFFFAOYSA-N;150.17;1.63;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_C5";;;;;;;0.81;;-0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM451461;MM451461;N=CN1CCC(F)C=N1;DGADCYUKVGBGCU-UHFFFAOYSA-N;129.14;0.62;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP1_SP1";;;;;;;-0.79;;-3.13;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM451462;MM451462;C=C(C(C)CCN)C1CO1;ASVNUHWZQNFPMH-UHFFFAOYSA-N;141.21;0.93;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_SNa";;;;;;;0.87;;-4.66;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM451463;MM451463;COCCON=COC=O;GENSBDMEKFLASU-UHFFFAOYSA-N;147.13;-0.23;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_P2";;;;;;;-0.24;;-3.24;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM451464;MM451464;CC(CCN)C(=N)N1CC1;HCKIYWGJFFXRAX-UHFFFAOYSA-N;141.22;0.26;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_SP2";;;;;;;-0.24;;-7.34;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM451465;MM451465;C=COC=NOCOCC;WLHFCSHSYZJTLE-UHFFFAOYSA-N;145.16;1.1;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_Na";;;;;;;0.87;;-2.22;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM451466;MM451466;C=CCC(C)C(=C)C1CC1;NTXDVCKGYRPUBO-UHFFFAOYSA-N;136.24;3.16;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1_SC4";;;;;;;4.24;;0.42;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM451467;MM451467;C=NOC=NOCOCC;WGOVAYXVUYEWOY-UHFFFAOYSA-N;146.15;0.57;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_Na";;;;;;;0.87;;-2.22;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM451468;MM451468;CC(C)=NNC(C)(C)C#N;QAMIFRUGDYQOIM-UHFFFAOYSA-N;139.2;1.27;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nd_N0";;;;;;;1.17;;-1.04;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM451469;MM451469;N#CC(=N)NOC1CC1;ILCJVRBHPBPIHR-UHFFFAOYSA-N;125.13;0.17;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_SP1";;;;;;;-1.06;;-3.82;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM451470;MM451470;C#CCC(N)C(=C)C1CN1;LMEQHYDNQUHIOX-UHFFFAOYSA-N;136.2;-0.14;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_SP1";;;;;;;0.04;;-4.47;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM451471;MM451471;C#CCC=CCCCCF;YSRILXNCWFRUBH-UHFFFAOYSA-N;140.2;2.71;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4_C3";;;;;;;3.9;;0.47;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM451472;MM451472;C#CCC(C)C(=C)C1CO1;YUKWUTPKSOIPHM-UHFFFAOYSA-N;136.19;1.6;;;;;DOPC;MDCG;27;0;"MARTINI bead: C3_SNa";;;;;;;2.57;;0.45;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM451473;MM451473;C#CCC=CCCCOC;JDKILWPVOUULIC-UHFFFAOYSA-N;138.21;1.99;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_C5";;;;;;;1.64;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM451474;MM451474;C#CCC(C)C(=N)N1CC1;HZKHFORVWTZREE-UHFFFAOYSA-N;136.2;0.94;;;;;DOPC;MDCG;27;1;"MARTINI bead: C3_SP2";;;;;;;1.46;;-3.98;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM451475;MM451475;C#CCC=CCCOCC;DHRVDLWKQIBDLF-UHFFFAOYSA-N;138.21;1.99;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_C3";;;;;;;2.57;;0.45;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM451476;MM451476;C=C(C(=N)NCC)C1CC1;KMLNFERFHVEFIX-UHFFFAOYSA-N;138.21;1.54;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_SC5";;;;;;;1.64;;-4.79;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM451477;MM451477;C#CCC=CCNCCO;BWWFWVPQELLVFK-UHFFFAOYSA-N;139.2;0.15;;;;;DOPC;MDCG;27;1;"MARTINI bead: P3_C3";;;;;;;0.6;;-2.53;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM451478;MM451478;C=C(C(=N)NCC)C1CO1;JXZKFZVTNBRSCB-UHFFFAOYSA-N;140.19;0.53;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_SP1";;;;;;;0.04;;-7.02;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM451479;MM451479;C#CCNC=NCCCF;FWNHCZKMSXPZND-UHFFFAOYSA-N;142.18;0.6;;;;;DOPC;MDCG;27;1;"MARTINI bead: C5_P1";;;;;;;0.81;;-2.36;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM451480;MM451480;CCNC(=N)C(=N)N1CC1;YYBPFBCTYKRGAY-UHFFFAOYSA-N;140.19;-0.13;;;;;DOPC;MDCG;27;1;"MARTINI bead: P2_SP2";;;;;;;-1.34;;-7.7;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM451481;MM451481;C#CCNC=NCCNC;HGLGTXWMFRLJTP-UHFFFAOYSA-N;139.2;-0.54;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1_P1";;;;;;;-0.79;;-4.98;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM451482;MM451482;C=C(CC#N)C(=N)N1CC1;CNNKYGUDEVTVSO-UHFFFAOYSA-N;135.17;0.75;;;;;DOPC;MDCG;27;1;"MARTINI bead: N0_SP2";;;;;;;0.06;;-5.93;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM451483;MM451483;C=CC(=O)CCN1CC1;CRSGIJRXDZLWHU-UHFFFAOYSA-N;125.17;0.45;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_SP1";;;;;;;0.04;;-2.54;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM451484;MM451484;C#CCC(=C)C(=N)N1CC1;MFHCRWFPINWRMO-UHFFFAOYSA-N;134.18;0.86;;;;;DOPC;MDCG;27;1;"MARTINI bead: C5_SP2";;;;;;;0.54;;-4.85;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM451485;MM451485;C#CCC=NNCCCN;VZFHIJWGNOHTTJ-UHFFFAOYSA-N;139.2;-0.07;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1_Nd";;;;;;;0.04;;-5.09;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM451486;MM451486;CC=CC(C)C(C)C1CC1;WXJZLBNMRZHDTB-UHFFFAOYSA-N;138.25;3.24;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1_SC3";;;;;;;4.61;;0.31;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM451487;MM451487;C#CCC=COCCCN;CRNBDVSPEKEQSE-UHFFFAOYSA-N;139.2;0.89;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_Na";;;;;;;0.87;;-4.61;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM451488;MM451488;CC=CC(C)C(N)C1CC1;JZVMFTPLZJPEAD-UHFFFAOYSA-N;139.24;1.94;;;;;DOPC;MDCG;27;1;"MARTINI bead: C1_SNd";;;;;;;2.91;;-0.83;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM451489;MM451489;C#CCC=COCCCO;GSWRBPLQRLFVFI-UHFFFAOYSA-N;140.18;0.92;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda_Na";;;;;;;0.87;;-1.99;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM451490;MM451490;CC=CC(C)C(C)C1CO1;GJZHUMLGVLUKAX-UHFFFAOYSA-N;140.23;2.23;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1_SNa";;;;;;;2.91;;0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM451491;MM451491;C#CCC=COCCCF;YPAVHICHNRPDTA-UHFFFAOYSA-N;142.17;1.9;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4_Na";;;;;;;2.2;;0.34;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM451492;MM451492;CC=CC(=O)C(C)C1CC1;KQFYALIRCTXWDY-UHFFFAOYSA-N;138.21;2.18;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_SC5";;;;;;;2.41;;0.64;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM451493;MM451493;C#CCC=NOCCCC;IAHJCIKFCKRAFL-UHFFFAOYSA-N;139.2;1.81;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1_Na";;;;;;;2.91;;0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM451494;MM451494;C=C(C(C)C=CC)C1CC1;WSIJSTYRAXQZHR-UHFFFAOYSA-N;136.24;3.16;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1_SC4";;;;;;;4.24;;0.42;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM451495;MM451495;C#CCC=NOCCCN;YEQKLAMNLHZXDG-UHFFFAOYSA-N;140.19;0.36;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1_N0";;;;;;;0.34;;-4.25;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM451496;MM451496;C=C(C(N)C=CC)C1CC1;WOVVIDDWPZVTDD-UHFFFAOYSA-N;137.23;1.86;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_SC4";;;;;;;2.2;;-1.37;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM451497;MM451497;C=CC(C(=C)C)C(C)(C)O;RTIHIMRPPOOHGZ-UHFFFAOYSA-N;140.23;2.14;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1_Nda";;;;;;;2.91;;0.57;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM451498;MM451498;C=C(C(C)C=CC)C1CO1;ZUWUBDBCWLPFBV-UHFFFAOYSA-N;138.21;2.15;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1_SNa";;;;;;;2.91;;0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM451499;MM451499;C#CCC=NOCCOC;TXKGQQWXWJCNPA-UHFFFAOYSA-N;141.17;0.66;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_Na";;;;;;;0.87;;-2.22;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM451500;MM451500;C=C(C(N)C=CC)C1CO1;WAPQMEYPCUOIQZ-UHFFFAOYSA-N;139.2;0.84;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_SNa";;;;;;;0.87;;-3.75;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM451501;MM451501;C#CCC=NOCOCC;VKTBRPUZMGHTTR-UHFFFAOYSA-N;141.17;1.01;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_Na";;;;;;;0.87;;-2.22;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM451502;MM451502;CC=CC(C)C(=O)N1CC1;XVRBVPNUVFRNHL-UHFFFAOYSA-N;139.2;1.04;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1_SP2";;;;;;;1.8;;0.4;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM451503;MM451503;C=CCCCC=CCCC;PRULABYGUVKYSZ-UHFFFAOYSA-N;138.25;3.7;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1_C1";;;;;;;4.95;;0.69;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM451504;MM451504;CC=CC(=O)C(=O)C1CC1;LNVYPFKLTJWCJP-UHFFFAOYSA-N;138.17;1.11;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_SC5";;;;;;;1.64;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM451505;MM451505;C=CCCCC=CCCN;CCFPWKQXOQKJAK-UHFFFAOYSA-N;139.24;2.25;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_C1";;;;;;;2.91;;-0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM451506;MM451506;CC=CC(=O)C(=O)N1CC1;MAPSLGNKQSPFKS-UHFFFAOYSA-N;139.15;-0.03;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_SP2";;;;;;;-0.24;;-3.24;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM451507;MM451507;CCCC=CCCCC#N;XMBQMELABLFOGH-UHFFFAOYSA-N;137.23;3.04;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1_C5";;;;;;;3.68;;0.46;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM451508;MM451508;CC#CC(C)C(C)C1CC1;UDJZMYSRCHMFRX-UHFFFAOYSA-N;136.24;2.69;;;;;DOPC;MDCG;27;0;"MARTINI bead: C3_SC3";;;;;;;4.27;;0.2;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM451509;MM451509;O=CCCCC=CCCO;CYDGXJYQLDJJBR-UHFFFAOYSA-N;142.2;1.29;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda_C5";;;;;;;1.64;;0.05;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM451510;MM451510;CC#CC(N)C(C)C1CC1;XESNIWMPVFIFRF-UHFFFAOYSA-N;137.23;1.38;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_SC3";;;;;;;2.57;;-0.55;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM451511;MM451511;O=CCCCC=CCCF;QIEWGXBMKSTVLF-UHFFFAOYSA-N;144.19;2.27;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4_C5";;;;;;;2.97;;0.45;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM451512;MM451512;CC#CC(C)C(N)C1CC1;PRZFWHZUWMNORJ-UHFFFAOYSA-N;137.23;1.38;;;;;DOPC;MDCG;27;1;"MARTINI bead: C3_SNd";;;;;;;2.57;;-1.51;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM451513;MM451513;N#CCCCC=CCCF;CGTWLIGPBAAJCV-UHFFFAOYSA-N;141.19;2.6;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_N0";;;;;;;1.94;;0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM451514;MM451514;CC#CC(N)C(C)C1CN1;TWGGAKRQVDIEOV-UHFFFAOYSA-N;138.21;-0.06;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_SNd";;;;;;;0.87;;-3.61;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM451515;MM451515;C=CCCCC=CCNC;DUOGJQCFCWTLEI-UHFFFAOYSA-N;139.24;2.12;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_C1";;;;;;;2.91;;-0.15;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM451516;MM451516;CC#CC(N)C(N)C1CN1;WWMIOFBXACDGJB-UHFFFAOYSA-N;139.2;-1.36;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_SP2";;;;;;;-0.24;;-4.39;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM451517;MM451517;COCC=CCCCC#N;ITRLRUUYKIYBLT-UHFFFAOYSA-N;139.2;1.88;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_C5";;;;;;;1.64;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM451518;MM451518;CC#CC(C)C(C)C1CO1;GTVIBHWABORSFA-UHFFFAOYSA-N;138.21;1.68;;;;;DOPC;MDCG;27;0;"MARTINI bead: C3_SNa";;;;;;;2.57;;0.45;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM451519;MM451519;CCOC=CCCCC=O;IEVBCCGBHJMUOP-UHFFFAOYSA-N;142.2;1.91;;;;;DOPC;MDCG;27;0;"MARTINI bead: C3_Na";;;;;;;2.57;;0.45;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM451520;MM451520;CC#CC(C)C(N)C1CO1;BPAWAACULULFNW-UHFFFAOYSA-N;139.2;0.37;;;;;DOPC;MDCG;27;1;"MARTINI bead: C3_SP2";;;;;;;1.46;;-2.04;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM451521;MM451521;CCCC=CCCNC=N;JNDWTPCXJOXDFM-UHFFFAOYSA-N;140.23;1.93;;;;;DOPC;MDCG;27;1;"MARTINI bead: C1_P2";;;;;;;1.8;;-3.22;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM451522;MM451522;C=C(C#CC)C(C)C1CO1;CVFDRRQNBPRPHY-UHFFFAOYSA-N;136.19;1.6;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1_SP1";;;;;;;2.08;;0.48;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM451523;MM451523;N=CNCCC=CCCF;WVQKPLWKDPTVQM-UHFFFAOYSA-N;144.19;1.49;;;;;DOPC;MDCG;27;1;"MARTINI bead: C5_P2";;;;;;;0.54;;-5.43;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM451524;MM451524;CC#CC(=O)C(C)N1CC1;KXNLUGIIGMKLQX-UHFFFAOYSA-N;137.18;0.28;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_SNd";;;;;;;1.64;;0.02;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM451525;MM451525;C=NNCC(C)(F)CC#N;BZPRWECEIVYXHC-UHFFFAOYSA-N;143.17;0.83;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_P1";;;;;;;0.81;;-0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM451526;MM451526;CC#CC(=N)N(C)N1CC1;OZRISSVRCSGOOK-UHFFFAOYSA-N;137.19;0.15;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_SP2";;;;;;;-0.24;;-4.36;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM451527;MM451527;CCNN=CC(F)(F)C#N;OJXGRFYXQPQETK-UHFFFAOYSA-N;147.13;0.74;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nd_N0";;;;;;;1.17;;-1.04;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM451528;MM451528;C=C(C(C)C#CC)C1CC1;LGFNLAVSSURELB-UHFFFAOYSA-N;134.22;2.61;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1_SC5";;;;;;;3.68;;0.46;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM451529;MM451529;C=CC1CC(C)C(C)(O)C1;AWLXTALJXNGRBX-UHFFFAOYSA-N;140.23;1.97;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC2_SC5";;;;;;;3.6;;0.34;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM451530;MM451530;CC#CC(C)C(=N)N1CC1;HSYDMVWANJAZLG-UHFFFAOYSA-N;136.2;0.94;;;;;DOPC;MDCG;27;1;"MARTINI bead: C3_SP2";;;;;;;1.46;;-2.71;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM451531;MM451531;C=NNCCC=CCCC;DTVZWGAAPICWJX-UHFFFAOYSA-N;140.23;1.94;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1_Nd";;;;;;;2.91;;0.64;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM451532;MM451532;CC#CC(N)C(=N)N1CC1;VDIQNQWCSFZIPT-UHFFFAOYSA-N;137.19;-0.37;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_SP2";;;;;;;-0.24;;-4.39;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM451533;MM451533;N=C(CF)NC(=N)OC=O;RRFYCEYKHWOXGO-UHFFFAOYSA-N;147.11;-0.37;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_P2";;;;;;;-0.24;;-3.24;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM451534;MM451534;C=C(C#CC)C(=O)C1CC1;DPPIEWDBJYKWGO-UHFFFAOYSA-N;134.18;1.55;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_SC5";;;;;;;2.41;;0.64;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM451535;MM451535;C=NNCCC=CCCF;FGLBTKNGKUPSBM-UHFFFAOYSA-N;144.19;1.5;;;;;DOPC;MDCG;27;0;"MARTINI bead: C3_P2";;;;;;;1.46;;-0.15;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM451536;MM451536;C=C(C#CC)C(=N)N1CC1;ROBZPNCTVKMSDE-UHFFFAOYSA-N;134.18;0.86;;;;;DOPC;MDCG;27;1;"MARTINI bead: C4_SP2";;;;;;;1.09;;-2.97;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM451537;MM451537;CCOC=CCCNC=N;KCHDNSNRARWHSP-UHFFFAOYSA-N;142.2;1.12;;;;;DOPC;MDCG;27;1;"MARTINI bead: C3_P3";;;;;;;0.6;;-4.76;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM451538;MM451538;CC#CC(=O)C(=N)N1CC1;OXTJDJVBWGGLAO-UHFFFAOYSA-N;136.15;-0.13;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_SP2";;;;;;;0.54;;-1.09;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM451539;MM451539;CC1=C(C)C(C)C(C)(O)C1;RVMRXTFKMOXMPV-UHFFFAOYSA-N;140.23;2.11;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC1_SNda";;;;;;;2.91;;0.57;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM451540;MM451540;C=C(C#CC)C(=O)N1CC1;FIFSIVDIRMUQMW-UHFFFAOYSA-N;135.17;0.41;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4_SP2";;;;;;;1.09;;-0.38;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM451541;MM451541;C=COCCC=CCCC;RWKWPBPBLGOOMR-UHFFFAOYSA-N;140.23;2.89;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1_Na";;;;;;;2.91;;0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM451542;MM451542;C=COCCC=CCCO;ODLSZPAKFGQEKR-UHFFFAOYSA-N;142.2;1.48;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda_C5";;;;;;;1.64;;0.05;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM451543;MM451543;CCC=C(C)C(C)C1CC1;AVXPLBYSANYGOY-UHFFFAOYSA-N;138.25;3.39;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1_SC5";;;;;;;3.68;;0.46;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM451544;MM451544;O=COCCC=CCCF;CUOPHTRHLUBBLF-UHFFFAOYSA-N;146.16;1.47;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_Na";;;;;;;1.64;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM451545;MM451545;CC(=CCN)C(C)C1CC1;BUEGUXRDKHQGDO-UHFFFAOYSA-N;139.24;1.94;;;;;DOPC;MDCG;27;1;"MARTINI bead: SC5_C5";;;;;;;2.41;;0.01;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM451546;MM451546;CCNN=CCCCC#N;HMRQVRPKOVFCFN-UHFFFAOYSA-N;139.2;1.28;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nd_N0";;;;;;;1.17;;-1.04;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM451547;MM451547;CC(=CCO)C(C)C1CC1;QKQVXIJCVZLKNM-UHFFFAOYSA-N;140.23;1.97;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC5_C5";;;;;;;2.41;;0.64;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM451548;MM451548;CCNN=CCCNC=N;BPEXCOCNZAVTNK-UHFFFAOYSA-N;142.21;0.17;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_P2";;;;;;;-0.24;;-7.47;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM451549;MM451549;CNNC(=N)ON=C(C)C;CUKGRFRBXJFXBB-UHFFFAOYSA-N;144.18;0.06;;;;;DOPC;MDCG;27;0;"MARTINI bead: P3_Nda";;;;;;;-1.1;;-3.97;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM451550;MM451550;C=NNCCC=NOCC;NDQLTJVBFKYEHR-UHFFFAOYSA-N;143.19;0.6;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_Nd";;;;;;;0.87;;-1.88;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM451551;MM451551;CC(=CC=O)C(C)C1CC1;MBIGELUWKLNSJG-UHFFFAOYSA-N;138.21;2.18;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC5_C4";;;;;;;2.97;;0.45;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM451552;MM451552;C=COCCC=NOCC;ZPUDKFVQYMOYGF-UHFFFAOYSA-N;143.19;1.56;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_Na";;;;;;;1.64;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM451553;MM451553;CC(=CC#N)C(C)C1CC1;FAMUNYJQGLSHRU-UHFFFAOYSA-N;135.21;2.5;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC5_C5";;;;;;;2.41;;0.64;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM451554;MM451554;C=NOCCC=NOCC;GDBKRSICUHDMTJ-UHFFFAOYSA-N;144.17;1.03;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_Na";;;;;;;0.87;;-2.22;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM451555;MM451555;CC(C(F)=CC#N)C1CC1;HUFJUKSZOJRDAE-UHFFFAOYSA-N;139.17;2.41;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC5_C5";;;;;;;2.41;;0.64;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM451556;MM451556;C=CCNCC=CCCC;WAIPSVXWLSRNFG-UHFFFAOYSA-N;139.24;2.12;;;;;DOPC;MDCG;27;1;"MARTINI bead: C1_Nd";;;;;;;2.91;;0.28;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM451557;MM451557;C=CC=C(F)C(N)C1CC1;AEDDYLQPOTYJIM-UHFFFAOYSA-N;141.19;1.76;;;;;DOPC;MDCG;27;1;"MARTINI bead: SC5_Nda";;;;;;;1.64;;-0.98;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM451558;MM451558;C=CCNCC=CCCN;CHEUOKKLKAPQGT-UHFFFAOYSA-N;140.23;0.67;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_Nd";;;;;;;0.87;;-4.92;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM451559;MM451559;CON=C(C)NN(C)C=O;RKQPSQPSJOUQQK-UHFFFAOYSA-N;145.16;-0.44;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_P4";;;;;;;-1.19;;-4.76;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM451560;MM451560;CCCC=CCNCC#N;UCUZLZNNIMIGTF-UHFFFAOYSA-N;138.21;1.46;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1_P3";;;;;;;0.94;;0.03;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM451561;MM451561;C=NN=C(C)C(C)C1CC1;GMUQWOMYTYNFGZ-UHFFFAOYSA-N;138.21;2.11;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC5_C4";;;;;;;2.97;;0.45;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM451562;MM451562;CC(=CC=O)C(C)N1CC1;HDKQRTDGFAEHHX-UHFFFAOYSA-N;139.2;0.84;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNd_Na";;;;;;;0.87;;-1.88;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM451563;MM451563;N#CCNCC=CCCF;QGYNBMCPLCPJSY-UHFFFAOYSA-N;142.18;1.02;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_P2";;;;;;;0.54;;-1.09;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM451564;MM451564;C#CC=C(C)C(C)C1CC1;RNEVMGFZQFLSDK-UHFFFAOYSA-N;134.22;2.61;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC5_C1";;;;;;;3.68;;0.46;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM451565;MM451565;C=CCNCC=CCNC;BZLDNNMMTJGMLY-UHFFFAOYSA-N;140.23;0.54;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_Nd";;;;;;;0.87;;-4.54;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM451566;MM451566;C#CC=C(F)C(C)C1CC1;ZYMUSWCTHRNFGU-UHFFFAOYSA-N;138.19;2.52;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC5_C3";;;;;;;3.34;;0.48;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM451567;MM451567;CNCC=CCNCC#N;CTJWIZVFXINFKU-UHFFFAOYSA-N;139.2;-0.12;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_P2";;;;;;;-0.24;;-5.49;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM451568;MM451568;C#CC=C(C)C(N)C1CC1;GKPGITQOUHFLOZ-UHFFFAOYSA-N;135.21;1.3;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_SC5";;;;;;;1.64;;-2.43;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM451569;MM451569;C=CCNCC=COCC;BWPPTVNNUZNBLB-UHFFFAOYSA-N;141.21;1.31;;;;;DOPC;MDCG;27;1;"MARTINI bead: C5_Nd";;;;;;;1.64;;-1.38;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM451570;MM451570;CC(=CCN)C(=N)N1CC1;UVNBUBWTAOKLJJ-UHFFFAOYSA-N;139.2;0.18;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_SP2";;;;;;;-0.24;;-6.91;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM451571;MM451571;CCOC=CCNCC#N;BEVZKXLIUHNNIR-UHFFFAOYSA-N;140.19;0.65;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_P2";;;;;;;0.54;;-1.09;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM451572;MM451572;C=C(C(F)=CC#N)C1CC1;RGXJAXJIEXHJGC-UHFFFAOYSA-N;137.16;2.33;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4_SC5";;;;;;;2.97;;0.45;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM451573;MM451573;CCCC=CCNNC=N;ZUCMBPOVSAHCRE-UHFFFAOYSA-N;141.22;1.04;;;;;DOPC;MDCG;27;1;"MARTINI bead: C1_P4";;;;;;;0.85;;-3.37;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM451574;MM451574;COCONC(=N)OC=O;HEKHUGNNEJZIFG-UHFFFAOYSA-N;148.12;-0.78;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_P2";;;;;;;-1.34;;-4.31;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM451575;MM451575;N=CNNCC=CCCO;RUVBUXSXIZDDHT-UHFFFAOYSA-N;143.19;-0.37;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nda_P4";;;;;;;-1.19;;-7.58;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM451576;MM451576;N=CNNCC=CCCF;UDQPAPQAALPOGZ-UHFFFAOYSA-N;145.18;0.6;;;;;DOPC;MDCG;27;1;"MARTINI bead: C5_P4";;;;;;;-0.41;;-5.57;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM451577;MM451577;C=CC=C(C)C(=N)N1CC1;CHLXQUWWOLHGBM-UHFFFAOYSA-N;136.2;1.41;;;;;DOPC;MDCG;27;1;"MARTINI bead: C1_SP2";;;;;;;1.8;;-2.54;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM451578;MM451578;CCC1(O)CC(C)=C(C)C1;ZHFLQOFEYAXLLM-UHFFFAOYSA-N;140.23;2.26;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC5_SC3";;;;;;;3.34;;0.48;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM451579;MM451579;C=CC=C(F)C(=O)N1CC1;KCLHLVBGAOKKGZ-UHFFFAOYSA-N;141.15;0.87;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4_SP2";;;;;;;1.09;;-0.38;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM451580;MM451580;NCCC=CCNNC=O;WIOTYLWZVFZDPC-UHFFFAOYSA-N;143.19;-0.86;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_P4";;;;;;;-1.19;;-7.47;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM451581;MM451581;C#CC=C(C)C(=N)N1CC1;CTZNGLXEYHAQBS-UHFFFAOYSA-N;134.18;0.86;;;;;DOPC;MDCG;27;1;"MARTINI bead: C4_SP2";;;;;;;1.09;;-3.58;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM451582;MM451582;CC(F)CN=NC=CNN;UQWGPDQVLYOAKN-UHFFFAOYSA-N;146.17;0.73;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4_P3";;;;;;;0.23;;-1.03;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM451583;MM451583;CC=CC(C)=C(C)C1CC1;DGOSTAMXKLUDOO-UHFFFAOYSA-N;136.24;3.31;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1_SC5";;;;;;;3.68;;0.46;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM451584;MM451584;CC#CC(C)=C(C)C1CC1;XPTVLAIGYNIHCE-UHFFFAOYSA-N;134.22;2.76;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1_SC5";;;;;;;3.68;;0.46;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM451585;MM451585;CNCC=CCNNC=O;HTWCWOHUEPCGAU-UHFFFAOYSA-N;143.19;-0.99;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_P4";;;;;;;-1.19;;-7.12;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM451586;MM451586;CC#CC(C)=C(F)C1CC1;FYWFMSYBBMYTFG-UHFFFAOYSA-N;138.19;2.66;;;;;DOPC;MDCG;27;0;"MARTINI bead: C2_SC5";;;;;;;3.6;;0.34;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM451587;MM451587;CCOC=CCNNC=N;BIWUVEFKNYLZRW-UHFFFAOYSA-N;143.19;0.24;;;;;DOPC;MDCG;27;1;"MARTINI bead: C5_P4";;;;;;;-0.41;;-5.57;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM451588;MM451588;CC#CC(C)=C(F)C1CN1;OATWXFFEIGVBKX-UHFFFAOYSA-N;139.17;1.23;;;;;DOPC;MDCG;27;0;"MARTINI bead: C2_SP2";;;;;;;1.72;;0.28;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM451589;MM451589;C=CCOCC=CCCN;LMZIVKYDFZDNRX-UHFFFAOYSA-N;141.21;1.09;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_C5";;;;;;;1.64;;-2.66;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM451590;MM451590;CC#CC(C)=C(C)C1CO1;SFRJBSBBJSKFSY-UHFFFAOYSA-N;136.19;1.74;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1_SP1";;;;;;;2.08;;0.48;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM451591;MM451591;C=CCOCC=CCCO;QYXUXJXUXDTLOF-UHFFFAOYSA-N;142.2;1.13;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda_Na";;;;;;;0.87;;-1.99;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM451592;MM451592;CC#CC(C)=C(F)C1CO1;VZFZXYHREPQKMM-UHFFFAOYSA-N;140.16;1.65;;;;;DOPC;MDCG;27;0;"MARTINI bead: C2_SP1";;;;;;;2;;0.29;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM451593;MM451593;C=CCOCC=CCCF;GEQUOAIMAQXIBB-UHFFFAOYSA-N;144.19;2.1;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4_C5";;;;;;;2.97;;0.45;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM451594;MM451594;C#CC1C(C)C1(C)C1CC1;CMTBLBTTXZRDHD-UHFFFAOYSA-N;134.22;2.3;;;;;DOPC;MDCG;27;0;"MARTINI bead: SN0_SC5";;;;;;;1.94;;0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM451595;MM451595;CCCC=CCOCC=O;JENNUGATIFKIBP-UHFFFAOYSA-N;142.2;1.56;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1_P2";;;;;;;1.8;;0.4;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM451596;MM451596;CCCC1CC1(N)C1CC1;NERXUSDETAELPQ-UHFFFAOYSA-N;139.24;1.91;;;;;DOPC;MDCG;27;1;"MARTINI bead: SNd_SC5";;;;;;;1.64;;-2.84;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM451597;MM451597;CCCC=CCOCC#N;FFIGWMGNCOCMIM-UHFFFAOYSA-N;139.2;1.88;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1_P1";;;;;;;2.08;;0.48;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM451598;MM451598;C=CCC1CC1(C)C1CC1;WRRSRRFOQXWLRT-UHFFFAOYSA-N;136.24;3;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC3_SC5";;;;;;;3.34;;0.48;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM451599;MM451599;COCC=CCOCC#N;RUCVWWFOHQSVIX-UHFFFAOYSA-N;141.17;0.73;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_Na";;;;;;;0.87;;-2.22;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM451600;MM451600;C#CCC1CC1(N)C1CC1;AXZMKZXCOAQXOA-UHFFFAOYSA-N;135.21;1.14;;;;;DOPC;MDCG;27;1;"MARTINI bead: SNd_SC5";;;;;;;1.64;;-2.81;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM451601;MM451601;CCOC=CCOCC#N;UEFINPJKTVXROQ-UHFFFAOYSA-N;141.17;1.08;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_Na";;;;;;;0.87;;-2.22;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM451602;MM451602;CC=NNCC(=O)OCC;SQYNJKBOYRKTIX-UHFFFAOYSA-N;144.17;0.14;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_Nd";;;;;;;0.87;;-1.88;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM451603;MM451603;CCCC=CCONC=O;ILAKBQYFDHSEQX-UHFFFAOYSA-N;143.19;1.02;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1_P2";;;;;;;1.8;;0.41;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM451604;MM451604;N=c1oc(=O)on1C1CC1;PFGVKOKVKOVMRC-UHFFFAOYSA-N;142.11;-0.15;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP2_SC5";;;;;;;0.54;;-1.09;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM451605;MM451605;O=CNOCC=CCCO;YJKTUMAHOIOTAM-UHFFFAOYSA-N;145.16;-0.4;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_P4";;;;;;;-0.41;;-2.78;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM451606;MM451606;O=c1oc(=O)n(C2CC2)o1;ZQXWZDVGKVEARG-UHFFFAOYSA-N;143.1;-0.27;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC5_SP2";;;;;;;0.54;;-1.09;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM451607;MM451607;CNCC=CCONC=N;UIFDEZPMWQVGOK-UHFFFAOYSA-N;143.19;-0.11;;;;;DOPC;MDCG;27;1;"MARTINI bead: C5_P4";;;;;;;-0.41;;-5.1;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM451608;MM451608;N=c1oc(=O)on1N1CC1;HVVPVRXQBRHBNX-UHFFFAOYSA-N;143.1;-1.53;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP2_SP2";;;;;;;-1.34;;-4.31;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM451609;MM451609;C=CCOCC=NOCC;BZADPIZLSQCWFK-UHFFFAOYSA-N;143.19;1.21;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_Na";;;;;;;0.87;;-2.22;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM451610;MM451610;O=c1oc(=O)n(N2CC2)o1;VJULIMNXQPHNAE-UHFFFAOYSA-N;144.09;-1.65;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP2_SP2";;;;;;;-1.34;;-4.31;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM451611;MM451611;CCNN=CCONC=O;ZFFXPIXYQPCLIR-UHFFFAOYSA-N;145.16;-0.74;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nd_P2";;;;;;;-0.24;;-3.16;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM451612;MM451612;Cc1oc(=O)oc1C1CC1;WJFMOAYARYHFDA-UHFFFAOYSA-N;140.14;1.42;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNa_SC5";;;;;;;1.64;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM451613;MM451613;CCON=CCONC=N;ABXRXOZPPMCODK-UHFFFAOYSA-N;145.16;0.14;;;;;DOPC;MDCG;27;1;"MARTINI bead: C5_P4";;;;;;;-0.41;;-4.49;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM451614;MM451614;Nc1oc(=O)oc1C1CC1;FXJKDISLQHKKSE-UHFFFAOYSA-N;141.13;0.69;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP3_SC5";;;;;;;-0.33;;-2.01;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM451615;MM451615;CCON=CCONC=O;RSWGOCPSKSDBGM-UHFFFAOYSA-N;146.15;-0.31;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_P2";;;;;;;-0.24;;-3.24;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM451616;MM451616;N#CC(F)(F)C=NO;SEVMQTPZJWUQDB-UHFFFAOYSA-N;120.06;0.61;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_N0";;;;;;;0.34;;-7.43;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM451617;MM451617;C=CCCNC=NCCO;PVSATYCLPGSTKY-UHFFFAOYSA-N;142.2;0.17;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1_Nd";;;;;;;0.04;;-5.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM451618;MM451618;O=c1oc(F)c(C2CC2)o1;WCDUCRSPMQJAED-UHFFFAOYSA-N;144.1;1.25;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP1_SC5";;;;;;;0.81;;-0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM451619;MM451619;N#CCNNC=NCCO;QDPRZTVOOBSGBR-UHFFFAOYSA-N;142.16;-1.38;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1_P3";;;;;;;-1.93;;-6.04;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM451620;MM451620;Cc1oc(=O)oc1C1CN1;UJZCDHLKDASGNS-UHFFFAOYSA-N;141.13;0.19;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNa_SP2";;;;;;;-0.24;;-3.24;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM451621;MM451621;C=CCNNC=NOCC;MTSODJGGICBPQR-UHFFFAOYSA-N;143.19;0.25;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_P2";;;;;;;-0.24;;-3.24;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM451622;MM451622;C=CC1(C)CC(C#N)=NN1;FBZMHVRYWDUHAK-UHFFFAOYSA-N;135.17;0.8;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNd_SP1";;;;;;;0.04;;-2.63;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM451623;MM451623;CC1N2C(=N)C(=O)CC12C;FSBVCEHBEZQZDV-UHFFFAOYSA-N;138.17;0.4;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP2_SN0";;;;;;;0.06;;-2.21;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM451624;MM451624;OC=C1N=NC(=NO)N=N1;BINAUQUHSHYCLR-UHFFFAOYSA-N;141.09;1.01;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNda_SNda";;;;;;;0.87;;-8.5;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM451625;MM451625;C=CC1CCC(O)(CC)C1;HJZXTXRGFOUACU-UHFFFAOYSA-N;140.23;2.11;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC5_SC2";;;;;;;3.6;;0.34;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM451626;MM451626;O=c1oc(F)c(C2CN2)o1;UQRVALUSDIAZMT-UHFFFAOYSA-N;145.09;0.02;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP1_SP2";;;;;;;-1.06;;-3.82;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM451627;MM451627;C=CCCNN=CCCC;WCLZLUMKFOIUPN-UHFFFAOYSA-N;140.23;1.94;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1_P1";;;;;;;2.08;;0.48;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM451628;MM451628;Cc1oc(=O)oc1C1CO1;KMXGHNFKHGPYGE-UHFFFAOYSA-N;142.11;0.61;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNa_SP1";;;;;;;0.04;;-2.54;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM451629;MM451629;CCC1=NNC(C)(C#N)C1;XVDDHJVQZAXJRL-UHFFFAOYSA-N;137.19;1.03;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP1_SNd";;;;;;;0.04;;-2.63;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM451630;MM451630;Nc1oc(=O)oc1C1CO1;BBJZHVLGFZBYAD-UHFFFAOYSA-N;143.1;-0.11;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP3_SP1";;;;;;;-1.93;;-4.72;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM451631;MM451631;CCCC=COCCC=O;CMGJZBRKXHMYLY-UHFFFAOYSA-N;142.2;1.91;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1_P2";;;;;;;1.8;;0.4;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM451632;MM451632;O=CC(=O)C(C=O)C=O;HMGJMVREWSMGAT-UHFFFAOYSA-N;128.08;-1.23;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_Na";;;;;;;0.87;;-8.68;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM451633;MM451633;CCCC=COCCC#N;HELSNQULJCLNRQ-UHFFFAOYSA-N;139.2;2.23;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1_P2";;;;;;;1.8;;0.4;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM451634;MM451634;O=c1oc(F)c(C2CO2)o1;AWGCGMMXGMAAPA-UHFFFAOYSA-N;146.07;0.44;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP1_SP1";;;;;;;-0.79;;-3.13;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM451635;MM451635;N#CCCOC=CCCO;BMDBAQLBFYGVDB-UHFFFAOYSA-N;141.17;0.81;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda_Na";;;;;;;0.87;;-1.99;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM451636;MM451636;Cc1oc(=O)oc1N1CC1;PZVYNNMLJSQORQ-UHFFFAOYSA-N;141.13;0.36;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNa_SP2";;;;;;;-0.24;;-3.24;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM451637;MM451637;C=CCCOC=CCNC;DPDSKWCHTPCUMJ-UHFFFAOYSA-N;141.21;1.31;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_Na";;;;;;;0.87;;-3.97;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM451638;MM451638;N#CC(CF)NC(=N)CF;JHGUUCWFHYFASF-UHFFFAOYSA-N;147.13;0.38;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_P2";;;;;;;-0.24;;-3.24;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM451639;MM451639;COCC=COCCC#N;VWYBSEUMZUVMJL-UHFFFAOYSA-N;141.17;1.08;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_Na";;;;;;;0.87;;-2.22;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM451640;MM451640;O=c1oc(F)c(N2CC2)o1;ITXNDJZDMYPFSU-UHFFFAOYSA-N;145.09;0.19;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP1_SP2";;;;;;;-1.06;;-3.82;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM451641;MM451641;CCOC=COCCC#N;QQBDOLICOOTLFD-UHFFFAOYSA-N;141.17;1.42;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_Na";;;;;;;0.87;;-2.22;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM451642;MM451642;CCn1occ2cnnc1-2;VOZKMPHYBPGVBY-UHFFFAOYSA-N;137.14;1;;;;;DOPC;MDCG;27;0;"MARTINI bead: SN0_SNa";;;;;;;1.17;;-1.18;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM451643;MM451643;C=COCOC=CCCO;COTPZVYZCOYLLX-UHFFFAOYSA-N;144.17;1.02;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda_Na";;;;;;;0.87;;-1.99;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM451644;MM451644;CNn1occ2cnnc1-2;NKRUOLWBABMUSY-UHFFFAOYSA-N;138.13;0.15;;;;;DOPC;MDCG;27;0;"MARTINI bead: SN0_SP1";;;;;;;0.34;;-1.53;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM451645;MM451645;CCCC=COCOC=O;XQUNNADFAFDFEI-UHFFFAOYSA-N;144.17;1.45;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1_P2";;;;;;;1.8;;0.4;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM451646;MM451646;COn1occ2cnnc1-2;KSKQKBCQMAZAGY-UHFFFAOYSA-N;139.11;0.03;;;;;DOPC;MDCG;27;0;"MARTINI bead: SN0_SNa";;;;;;;1.17;;-1.18;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM451647;MM451647;NCCC=COCOC=O;JVHLIJJJTKOEPH-UHFFFAOYSA-N;145.16;;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_P2";;;;;;;-0.24;;-5.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM451648;MM451648;CCn1onc2cnnc1-2;ZEAJFJZKOOHEKR-UHFFFAOYSA-N;138.13;0.39;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP1_SNa";;;;;;;0.04;;-2.54;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM451649;MM451649;C=COCOC=CCNC;VFKQJQAYEVUHJK-UHFFFAOYSA-N;143.19;0.85;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_Na";;;;;;;0.87;;-3.97;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM451650;MM451650;C=COCOC=CCOC;SHJNKJKUGIZDBK-UHFFFAOYSA-N;144.17;1.28;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_Na";;;;;;;0.87;;-2.22;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM451651;MM451651;CNn1onc2cnnc1-2;NMPMHMDSZRCYQK-UHFFFAOYSA-N;139.12;-0.46;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP1_SP1";;;;;;;-0.79;;-3.13;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM451652;MM451652;C=NOCOC=CCCN;ZPCGAPKIEDAEKF-UHFFFAOYSA-N;144.17;0.46;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_P1";;;;;;;0.04;;-5.39;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM451653;MM451653;C=Cn1occ2cnnc1-2;HYRAOAZEYDPDBA-UHFFFAOYSA-N;135.13;1.08;;;;;DOPC;MDCG;27;0;"MARTINI bead: SN0_SP1";;;;;;;0.34;;-1.53;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM451654;MM451654;C=COCOC=COCC;FHAVRANTIIKSPP-UHFFFAOYSA-N;144.17;1.63;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_P1";;;;;;;0.81;;-0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM451655;MM451655;N=Cn1occ2cnnc1-2;GAIAEFRKVCUBIL-UHFFFAOYSA-N;136.11;0.43;;;;;DOPC;MDCG;27;0;"MARTINI bead: SN0_SP2";;;;;;;0.06;;-2.21;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM451656;MM451656;CCOC=COCOC=O;LNKGJTVXBVZDCS-UHFFFAOYSA-N;146.14;0.64;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_P2";;;;;;;0.54;;-1.09;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM451657;MM451657;O=Cn1occ2cnnc1-2;OJMTXZWWZQGKTF-UHFFFAOYSA-N;137.1;0.01;;;;;DOPC;MDCG;27;0;"MARTINI bead: SN0_SP2";;;;;;;0.06;;-2.21;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM451658;MM451658;C=NOCOC=COCC;UYVHFMCSRXXRSG-UHFFFAOYSA-N;145.16;1.1;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_P1";;;;;;;0.81;;-0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM451659;MM451659;C=Nn1occ2cnnc1-2;AROIMJDYBOVYSD-UHFFFAOYSA-N;136.11;0.44;;;;;DOPC;MDCG;27;0;"MARTINI bead: SN0_SP1";;;;;;;0.34;;-1.53;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM451660;MM451660;C=CCCOC=NOCC;ODVAEFDBYXWZMU-UHFFFAOYSA-N;143.19;1.56;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_C3";;;;;;;1.74;;0.29;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM451661;MM451661;C=Cn1onc2cnnc1-2;NJPJRZORHAWJSM-UHFFFAOYSA-N;136.11;0.47;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP1_SP1";;;;;;;-0.79;;-3.13;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM451662;MM451662;CC(C)ON=C(CF)CF;GBESWEHYIGXURR-UHFFFAOYSA-N;151.16;1.71;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_Na";;;;;;;0.87;;-2.22;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM451663;MM451663;N=Cn1onc2cnnc1-2;SJKPPZPTNPHRAU-UHFFFAOYSA-N;137.1;-0.17;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP1_SP2";;;;;;;-1.06;;-3.82;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM451664;MM451664;C=CC1CC1C(C)(O)CC;HIGCNJIQVCNNNF-UHFFFAOYSA-N;140.23;1.97;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda_SC4";;;;;;;2.2;;0.49;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM451665;MM451665;O=Cn1onc2cnnc1-2;QDSXCZWGQRLXCU-UHFFFAOYSA-N;138.09;-0.59;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP1_SP1";;;;;;;-0.79;;-3.13;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM451666;MM451666;C=CCCON=CCNC;DXHDUECOQRRQNC-UHFFFAOYSA-N;142.2;0.78;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_Na";;;;;;;0.87;;-3.02;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM451667;MM451667;C=Nn1onc2cnnc1-2;NMDOWNVRVMRTTN-UHFFFAOYSA-N;137.1;-0.17;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP1_SP1";;;;;;;-0.79;;-3.13;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM451668;MM451668;CC(CF)N=NC=CNN;MZXQQMOMFMWZDL-UHFFFAOYSA-N;146.17;0.73;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4_P3";;;;;;;0.23;;-1.03;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM451669;MM451669;CCc1o[nH]c2nncc1-2;DOXLPXDXFROOLH-UHFFFAOYSA-N;137.14;1.06;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNd_SNda";;;;;;;0.87;;-1.92;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM451670;MM451670;CNCC=NOCOC=O;XTEDXVFCPCPOEM-UHFFFAOYSA-N;146.15;-0.66;;;;;DOPC;MDCG;27;1;"MARTINI bead: P2_P1";;;;;;;-1.06;;-4.96;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM451671;MM451671;CCC(C#N)NN=C(C)C;XXSHEYZNILMCQB-UHFFFAOYSA-N;139.2;1.27;;;;;DOPC;MDCG;27;0;"MARTINI bead: N0_Nd";;;;;;;1.17;;-1.04;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM451672;MM451672;COCC=NOCOC=O;KJCZSQNEYZTXNI-UHFFFAOYSA-N;147.13;-0.23;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_P2";;;;;;;-0.24;;-3.24;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM451673;MM451673;C#CC1(NC(=N)C=O)CC1;CLYKVMGQZOBPGJ-UHFFFAOYSA-N;136.15;-0.08;;;;;DOPC;MDCG;27;0;"MARTINI bead: P3_SC5";;;;;;;-0.33;;-2.01;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM451674;MM451674;C=NOCON=CCCN;MMIIJWIGFYNLIV-UHFFFAOYSA-N;145.16;-0.07;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_P2";;;;;;;-0.24;;-5.56;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM451675;MM451675;O=c1ccn2[nH]cccc1-2;BMQDNHZRCMPDKL-UHFFFAOYSA-N;134.14;0.6;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNd_SNda";;;;;;;0.87;;-1.92;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM451676;MM451676;C=NNC(C#N)CC#CC;JWCSDOLYIPAKDY-UHFFFAOYSA-N;135.17;0.5;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4_P1";;;;;;;1.37;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM451677;MM451677;N=c1ncn2ocncc1-2;QTHLVWXVUUOXJW-UHFFFAOYSA-N;136.11;-0.22;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP1_SP3";;;;;;;-1.93;;-4.72;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM451678;MM451678;C=NOCON=CCNC;YIMZYBXYXMUMGM-UHFFFAOYSA-N;145.16;-0.2;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_P2";;;;;;;-0.24;;-4.29;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM451679;MM451679;N=c1ncn2ccocc1-2;AKNMBRKGAQGECH-UHFFFAOYSA-N;135.13;0.38;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP1_SP2";;;;;;;-1.06;;-3.82;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM451680;MM451680;C=COCON=COCC;OKPHLKQYPIQWPP-UHFFFAOYSA-N;145.16;1.1;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_Na";;;;;;;0.87;;-2.22;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM451681;MM451681;O=c1ncn2ccocc1-2;GXDAMWZWMNMFEQ-UHFFFAOYSA-N;136.11;0.26;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP1_SP2";;;;;;;-1.06;;-3.82;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM451682;MM451682;C=CCCCC=CCC=O;WWKSAWYZUONTCQ-UHFFFAOYSA-N;138.21;2.49;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1_Na";;;;;;;2.91;;0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM451683;MM451683;N=c1[nH]cc2nc[nH]cc1-2;RWUQJSSXFYDKRQ-UHFFFAOYSA-N;134.14;0.32;;;;;DOPC;MDCG;27;1;"MARTINI bead: SNd_SP2";;;;;;;-0.24;;-5.31;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM451684;MM451684;C=CCCCC=CCC#N;VZSDVEXFZVUISE-UHFFFAOYSA-N;135.21;2.81;;;;;DOPC;MDCG;27;0;"MARTINI bead: C3_C5";;;;;;;3.34;;0.48;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM451685;MM451685;C=CCC=CCCCC=O;AWBMJKBTUUURBD-UHFFFAOYSA-N;138.21;2.49;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1_Na";;;;;;;2.91;;0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM451686;MM451686;O=c1[nH]cc2nc[nH]cc1-2;APGITMROKMVPSG-UHFFFAOYSA-N;135.13;0.2;;;;;DOPC;MDCG;27;1;"MARTINI bead: SNd_SP2";;;;;;;-0.24;;-4.48;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM451687;MM451687;N#CCC=CCCCC#N;LCHFLKVPEUGRMI-UHFFFAOYSA-N;134.18;2.15;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_P1";;;;;;;0.81;;-0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM451688;MM451688;N=c1[nH]cc2occcc1-2;OHEPWXRPOOWTEC-UHFFFAOYSA-N;134.14;1.19;;;;;DOPC;MDCG;27;1;"MARTINI bead: SNd_SNd";;;;;;;0.87;;-4.01;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM451689;MM451689;C=CCCCC=CNC=N;LHPQRHFZECRVNZ-UHFFFAOYSA-N;138.21;2.05;;;;;DOPC;MDCG;27;1;"MARTINI bead: C1_P2";;;;;;;1.8;;-2.91;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM451690;MM451690;O=c1[nH]cc2occcc1-2;HHQMRIYSEJZPEJ-UHFFFAOYSA-N;135.12;1.07;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNd_SP1";;;;;;;0.04;;-2.63;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM451691;MM451691;C=CCCCC=CNC=O;DTQWBANZLUDKAN-UHFFFAOYSA-N;139.2;1.6;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1_P3";;;;;;;0.94;;0.03;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM451692;MM451692;O=c1occ2occcc1-2;XDZRAONIPNPHPY-UHFFFAOYSA-N;136.11;1.34;;;;;DOPC;MDCG;27;0;"MARTINI bead: SN0_SNa";;;;;;;1.17;;-1.18;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM451693;MM451693;C=CCCCC=COC=C;LIZYSKYRYGAVRM-UHFFFAOYSA-N;138.21;3.02;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1_C5";;;;;;;3.68;;0.46;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM451694;MM451694;C=CC(O)C(=NO)C(F)F;JHDPGXSCZQPUGC-UHFFFAOYSA-N;151.11;0.63;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_N0";;;;;;;0.34;;-7.43;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM451695;MM451695;C=CCCCC=COC=O;WVGUKYVKIKZLML-UHFFFAOYSA-N;140.18;2.03;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1_Na";;;;;;;2.91;;0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM451696;MM451696;O=c1onc2occnc1-2;HLXRPFVYQRZXCZ-UHFFFAOYSA-N;138.08;0.13;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNa_SP3";;;;;;;-1.1;;-4.2;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM451697;MM451697;O=CCCCC=COC=O;YSDPWMJRSSHJDI-UHFFFAOYSA-N;142.15;1.04;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_P1";;;;;;;0.81;;-0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM451698;MM451698;OCC(=NO)C(F)(F)CO;WBRAVUFBGLLXLA-UHFFFAOYSA-N;155.1;-0.56;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_P1";;;;;;;-1.06;;-9.1;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM451699;MM451699;N=CNCCC=CCC=O;PEWDOJCYZIXRCD-UHFFFAOYSA-N;140.19;0.72;;;;;DOPC;MDCG;27;1;"MARTINI bead: P3_C4";;;;;;;0.23;;-5.16;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM451700;MM451700;N=c1[nH]cc2ccocc1-2;HLBAYXPSQFBMQJ-UHFFFAOYSA-N;134.14;1.19;;;;;DOPC;MDCG;27;1;"MARTINI bead: SNd_SP1";;;;;;;0.04;;-5.85;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM451701;MM451701;CNN=CC(C#N)=C(C)F;RWRYDYIGXOPVMF-UHFFFAOYSA-N;141.15;0.96;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_C5";;;;;;;0.54;;-1.09;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM451702;MM451702;O=c1[nH]cc2ccocc1-2;ANOFNRXQXACNIB-UHFFFAOYSA-N;135.12;1.07;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNd_SP1";;;;;;;0.04;;-2.63;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM451703;MM451703;CNc1oc(=N)n(C)c1F;ACJFSNPWMRXFAI-UHFFFAOYSA-N;145.14;0.28;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNd_SP1";;;;;;;0.04;;-2.63;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM451704;MM451704;O=c1occ2ccocc1-2;AJHOPUXVPNKVKV-UHFFFAOYSA-N;136.11;1.34;;;;;DOPC;MDCG;27;0;"MARTINI bead: SN0_SNa";;;;;;;1.17;;-1.18;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM451705;MM451705;C=CCC=CCCNN=C;KOJBTBKQSZPBKA-UHFFFAOYSA-N;138.21;1.71;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1_P2";;;;;;;1.8;;0.41;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM451706;MM451706;O=c1onc2ccocc1-2;ZMPIJALFIOJKRM-UHFFFAOYSA-N;137.09;0.73;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNa_SP1";;;;;;;0.04;;-2.54;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM451707;MM451707;N=CNC=CCCNC=N;MKRUJIFBGMBZLO-UHFFFAOYSA-N;140.19;0.28;;;;;DOPC;MDCG;27;1;"MARTINI bead: P2_P2";;;;;;;-1.34;;-8.72;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM451708;MM451708;O=c1onc2cconc1-2;JXDAXHKUCMFSMU-UHFFFAOYSA-N;138.08;0.13;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNa_SP2";;;;;;;-0.24;;-3.24;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM451709;MM451709;C#CC(C=O)NCC#CC;VSAGAIHTCIIWJL-UHFFFAOYSA-N;135.17;-0.2;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nd_Na";;;;;;;0.87;;-1.88;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM451710;MM451710;ON=c1[nH]nc(O)[nH]1;LNRBCFWCHRGVAA-UHFFFAOYSA-N;116.08;-1.27;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP5_SP2";;;;;;;-2.22;;-9.64;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM451711;MM451711;C=CCC=CCCOC=C;CBLJLBOXBXESJL-UHFFFAOYSA-N;138.21;2.67;;;;;DOPC;MDCG;27;0;"MARTINI bead: C2_C5";;;;;;;3.6;;0.34;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM451712;MM451712;O=c1ccc2c[nH]ccn1-2;SWRAMNKECJWHDX-UHFFFAOYSA-N;134.14;0.6;;;;;DOPC;MDCG;27;0;"MARTINI bead: SN0_SNda";;;;;;;1.17;;-1.13;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM451713;MM451713;N#CCC=CCCOC=O;IRZQPEFNXVASTP-UHFFFAOYSA-N;139.15;1.02;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_C5";;;;;;;0.81;;-0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM451714;MM451714;Cc1ncc2ocnnc1-2;BBYVVPIWSMWNGE-UHFFFAOYSA-N;135.13;0.88;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNa_SP1";;;;;;;0.04;;-2.54;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM451715;MM451715;N=CNC=CCCOC=O;SYDWXRPLBCZHHD-UHFFFAOYSA-N;142.16;0.26;;;;;DOPC;MDCG;27;1;"MARTINI bead: P2_Na";;;;;;;-0.24;;-7.23;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM451716;MM451716;O=c1ccn2cc[nH]cc1-2;RUEFPRCOYOTSIF-UHFFFAOYSA-N;134.14;0.6;;;;;DOPC;MDCG;27;0;"MARTINI bead: SN0_SP1";;;;;;;0.34;;-1.53;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM451717;MM451717;CON=CNN(C=O)C=O;DXYWDEYAQSTOFJ-UHFFFAOYSA-N;145.12;-1.3;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_P3";;;;;;;-1.93;;-4.72;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM451718;MM451718;O=c1nnn2cc[nH]cc1-2;NIYYKFZIRTXDPY-UHFFFAOYSA-N;136.11;-0.61;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP1_SP2";;;;;;;-1.06;;-3.82;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM451719;MM451719;N#CC1CC(C=CN)=NN1;KLPWBLREKPFCCB-UHFFFAOYSA-N;136.16;-0.3;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP2_SP1";;;;;;;-1.06;;-3.82;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM451720;MM451720;Cc1ncc2nncoc1-2;ZDNBHSBMKFQYJC-UHFFFAOYSA-N;135.13;0.88;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNa_SP1";;;;;;;0.04;;-2.54;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM451721;MM451721;O=CNN=CCCOC=O;FBTILAYSAAXBNK-UHFFFAOYSA-N;144.13;-0.72;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_Na";;;;;;;-0.24;;-3.24;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM451722;MM451722;Nc1ncc2nncoc1-2;ZRHCLTXTKULWDB-UHFFFAOYSA-N;136.11;0.15;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP1_SP1";;;;;;;-0.79;;-3.13;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM451723;MM451723;O=COCCC=NOC=O;GJNHLWANJDPNSD-UHFFFAOYSA-N;145.11;-0.29;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_Na";;;;;;;0.04;;-2.54;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM451724;MM451724;O=c1[nH]cc2cc[nH]cc1-2;FCNDBMOQSNWHQU-UHFFFAOYSA-N;134.14;0.81;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNd_SP1";;;;;;;0.04;;-2.63;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM451725;MM451725;C=CCC=CCNCC=C;KKSLKZPDMZDLRN-UHFFFAOYSA-N;137.23;1.89;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_C3";;;;;;;2.57;;-0.47;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM451726;MM451726;O=c1[nH]cc2[nH]cccc1-2;UBVBFBUMWDWNIR-UHFFFAOYSA-N;134.14;0.81;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNd_SP1";;;;;;;0.04;;-2.63;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM451727;MM451727;C=CCNCC=CNC=N;GJOXPGHGIJYOGQ-UHFFFAOYSA-N;139.2;0.47;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_P2";;;;;;;-0.24;;-7.08;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM451728;MM451728;O=c1occ2cc[nH]cc1-2;MQSHMKRSFUHKBP-UHFFFAOYSA-N;135.12;1.07;;;;;DOPC;MDCG;27;0;"MARTINI bead: SN0_SNda";;;;;;;1.17;;-1.13;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM451729;MM451729;N=CNC=CCNCC=O;DBPKROONRUEWJD-UHFFFAOYSA-N;141.17;-0.51;;;;;DOPC;MDCG;27;1;"MARTINI bead: P2_P2";;;;;;;-1.34;;-8.22;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM451730;MM451730;O=c1occ2[nH]cccc1-2;KLQXNVXGIHEDQQ-UHFFFAOYSA-N;135.12;1.07;;;;;DOPC;MDCG;27;0;"MARTINI bead: SN0_SNda";;;;;;;1.17;;-1.13;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM451731;MM451731;CN(N=CCF)C(=O)C#N;IMEYOYLRRCMHQH-UHFFFAOYSA-N;143.12;-0.08;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_P1";;;;;;;0.04;;-2.54;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM451732;MM451732;C=CCNCC=COC=O;XSBWHMUTVLQPIX-UHFFFAOYSA-N;141.17;0.45;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_Na";;;;;;;0.87;;-3.36;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM451733;MM451733;C=NOCC(=NO)C(F)F;QEBPSRSTRWQQLU-UHFFFAOYSA-N;152.1;0.71;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_N0";;;;;;;0.34;;-7.43;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM451734;MM451734;C=COC=CCNCC#N;NXGNACSOSOEAJB-UHFFFAOYSA-N;138.17;0.77;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_P2";;;;;;;0.54;;-1.09;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM451735;MM451735;O=c1cccc2[nH][nH]cc1-2;FYKGXYNPTUSSHT-UHFFFAOYSA-N;134.14;0.81;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC5_SNda";;;;;;;1.64;;0.05;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM451736;MM451736;N#CCNCC=NOC=O;WIRGPQTVSKFMAS-UHFFFAOYSA-N;141.13;-0.74;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_P2";;;;;;;-1.06;;-3.82;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM451737;MM451737;ON=C(C(F)F)C(O)CF;LJMQUFVRIAPWLJ-UHFFFAOYSA-N;157.09;0.41;;;;;DOPC;MDCG;27;0;"MARTINI bead: N0_P2";;;;;;;0.06;;-7.43;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM451738;MM451738;N=CNN=CCNNC=N;FMHDUANPFSROGD-UHFFFAOYSA-N;142.17;-1.13;;;;;DOPC;MDCG;27;1;"MARTINI bead: P4_P1";;;;;;;-2.01;;-7.95;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM451739;MM451739;O=c1ccnc2[nH]onc1-2;JJZTYJRSXCMSBC-UHFFFAOYSA-N;137.1;-0.14;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNda_SNda";;;;;;;0.87;;-2.07;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM451740;MM451740;O=CNN=CCNNC=O;SLPPBGFTNYYQEN-UHFFFAOYSA-N;144.13;-2.03;;;;;DOPC;MDCG;27;0;"MARTINI bead: P4_P2";;;;;;;-2.29;;-5.95;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM451741;MM451741;N=c1nn[nH]n2ccnc12;HHCSRKDTTKJHQB-UHFFFAOYSA-N;136.12;-1.07;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP2_SP2";;;;;;;-1.34;;-4.31;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM451742;MM451742;C=CCC=CCOCC=C;UQPNOTHMMZMBBN-UHFFFAOYSA-N;138.21;2.32;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_C2";;;;;;;2.83;;0.35;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM451743;MM451743;O=c1nn[nH]n2ccnc12;MZYNHUXMZPJXMI-UHFFFAOYSA-N;137.1;-1.19;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP2_SP2";;;;;;;-1.34;;-4.31;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM451744;MM451744;C=CCC=CCOCC#N;UOKLPNCQPJDBAR-UHFFFAOYSA-N;137.18;1.66;;;;;DOPC;MDCG;27;0;"MARTINI bead: C2_P1";;;;;;;2;;0.29;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM451745;MM451745;N=c1nn[nH]n2cnnc12;RKQXFDWMOIKNMJ-UHFFFAOYSA-N;137.11;-1.67;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP2_SP2";;;;;;;-1.34;;-4.31;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM451746;MM451746;N#CCC=CCOCC=O;VWSLLYLTPDMUHI-UHFFFAOYSA-N;139.15;0.67;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_C5";;;;;;;0.54;;-1.09;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM451747;MM451747;O=c1nn[nH]n2cnnc12;MOWHYOGIXLPFQM-UHFFFAOYSA-N;138.09;-1.79;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP2_SP3";;;;;;;-2.2;;-5.19;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM451748;MM451748;N#CCC=CCOCC#N;ICDPWYPRFMBPEZ-UHFFFAOYSA-N;136.15;1;;;;;DOPC;MDCG;27;0;"MARTINI bead: P3_C5";;;;;;;-0.33;;-2.01;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM451749;MM451749;O=c1[nH][nH]cc2cncc1-2;JYGNRZNISSVVKK-UHFFFAOYSA-N;135.13;0.2;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP1_SP2";;;;;;;-1.06;;-3.82;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM451750;MM451750;C=CCOCC=CNC=N;BXVBTEUYMHAVAS-UHFFFAOYSA-N;140.19;0.9;;;;;DOPC;MDCG;27;1;"MARTINI bead: C4_P3";;;;;;;0.23;;-4.75;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM451751;MM451751;C=Cc1n[nH]c(=NO)n1O;KPVUMLZNIUYEHY-UHFFFAOYSA-N;142.12;-0.62;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP3_SNda";;;;;;;-1.1;;-8.5;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM451752;MM451752;N=CNC=CCOCC=O;NKSWGFMRNSOMBF-UHFFFAOYSA-N;142.16;-0.09;;;;;DOPC;MDCG;27;1;"MARTINI bead: P2_P1";;;;;;;-1.06;;-7.63;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM451753;MM451753;Cn1cnnc2cccc1-2;BGBBIVRIXOZEEA-UHFFFAOYSA-N;133.15;0.92;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP2_SP1";;;;;;;-1.06;;-3.82;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM451754;MM451754;C=CCOCC=COC=C;GIBJOUNGWBGFPV-UHFFFAOYSA-N;140.18;1.86;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_C5";;;;;;;1.64;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM451755;MM451755;Nn1cnnc2cccc1-2;ROXXPFJDWDKPKJ-UHFFFAOYSA-N;134.14;0.1;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP2_SP1";;;;;;;-1.06;;-3.82;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM451756;MM451756;C=COC=CCOCC#N;JQAMDNCXKLBYOU-UHFFFAOYSA-N;139.15;1.2;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_P1";;;;;;;0.81;;-0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM451757;MM451757;On1cnnc2cccc1-2;LCYPDPNODSRVSQ-UHFFFAOYSA-N;135.13;0.62;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP2_SP1";;;;;;;-1.06;;-3.82;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM451758;MM451758;N=CNOCC=CCC=O;LMKRIVFRQWZMEY-UHFFFAOYSA-N;142.16;0.26;;;;;DOPC;MDCG;27;1;"MARTINI bead: P4_C5";;;;;;;-0.41;;-4.5;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM451759;MM451759;Cn1cnnc2cncc1-2;YRAVHLGEOJFDPD-UHFFFAOYSA-N;134.14;0.31;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP2_SNa";;;;;;;-0.24;;-3.24;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM451760;MM451760;C=CCC=CCONC=O;ITVULSDFKIKEFZ-UHFFFAOYSA-N;141.17;0.8;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1_P4";;;;;;;0.85;;-0.64;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM451761;MM451761;Nn1cnnc2cncc1-2;JQTNALLXRZCTBR-UHFFFAOYSA-N;135.13;-0.51;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP2_SP1";;;;;;;-1.06;;-3.82;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM451762;MM451762;C=COC=CCONC=N;UQNKAHSBJWVBDD-UHFFFAOYSA-N;142.16;0.79;;;;;DOPC;MDCG;27;1;"MARTINI bead: C3_P4";;;;;;;0.52;;-3.28;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM451763;MM451763;On1cnnc2cncc1-2;OTYKEYRJDKUJMC-UHFFFAOYSA-N;136.11;0.02;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP2_SP1";;;;;;;-1.06;;-3.82;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM451764;MM451764;C=COC=CCONC=O;KCBBIALGMBYFEB-UHFFFAOYSA-N;143.14;0.34;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_P2";;;;;;;0.54;;-1.09;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM451765;MM451765;Cn1cnnc2nccc1-2;VEVYKXVJXYBLGT-UHFFFAOYSA-N;134.14;0.31;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP2_SNa";;;;;;;-0.24;;-3.24;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM451766;MM451766;O=CCOCC=NNC=O;XAJLZMJDOYUYIT-UHFFFAOYSA-N;144.13;-1.07;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_P2";;;;;;;-0.24;;-3.24;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM451767;MM451767;Nn1cnnc2nccc1-2;ZFCWRHIWHAOREE-UHFFFAOYSA-N;135.13;-0.51;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP2_SP1";;;;;;;-1.06;;-3.82;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM451768;MM451768;C#CCC(C#N)NN=C;VAJDOHXEZLASMM-UHFFFAOYSA-N;121.14;0.11;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_N0";;;;;;;0.34;;-1.53;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM451769;MM451769;On1cnnc2nccc1-2;KCQGKNOOYDFDQV-UHFFFAOYSA-N;136.11;0.02;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP2_SP1";;;;;;;-1.06;;-3.82;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM451770;MM451770;N#CCOCC=NOC=O;NNDVXGLDZFUSRR-UHFFFAOYSA-N;142.11;-0.31;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_Na";;;;;;;-0.24;;-3.24;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM451771;MM451771;Cn1ncnc2nccc1-2;GEMBQWYXXKNUOX-UHFFFAOYSA-N;134.14;0.31;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP2_SNa";;;;;;;-0.24;;-3.24;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM451772;MM451772;C=CCCCN=CNC=C;KIXOMEJMJGJYCU-UHFFFAOYSA-N;138.21;1.71;;;;;DOPC;MDCG;27;1;"MARTINI bead: C1_P2";;;;;;;1.8;;-2.09;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM451773;MM451773;Cn1cccc2cnnc1-2;VSBNLBDLAKRIIB-UHFFFAOYSA-N;133.15;0.92;;;;;DOPC;MDCG;27;0;"MARTINI bead: SN0_SNa";;;;;;;1.17;;-1.18;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM451774;MM451774;C=CCCN=CNCC=C;MLMLBNOWOFDAEW-UHFFFAOYSA-N;138.21;1.37;;;;;DOPC;MDCG;27;1;"MARTINI bead: C3_P1";;;;;;;1.74;;-2.3;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM451775;MM451775;Nn1cccc2cnnc1-2;HTHZFCLWQFDNRS-UHFFFAOYSA-N;134.14;0.1;;;;;DOPC;MDCG;27;0;"MARTINI bead: SN0_SNda";;;;;;;1.17;;-1.13;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM451776;MM451776;C=CCCN=CNCC=O;QXDIZPHNZNYQAI-UHFFFAOYSA-N;140.19;0.38;;;;;DOPC;MDCG;27;1;"MARTINI bead: C4_P5";;;;;;;0.22;;-4.6;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM451777;MM451777;On1cccc2cnnc1-2;SEDYWUKLAOCILT-UHFFFAOYSA-N;135.13;0.62;;;;;DOPC;MDCG;27;0;"MARTINI bead: SN0_SNda";;;;;;;1.17;;-1.13;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM451778;MM451778;C=CCN=CNCCC=O;GCPLQRULXSGTMO-UHFFFAOYSA-N;140.19;0.38;;;;;DOPC;MDCG;27;1;"MARTINI bead: C4_P3";;;;;;;0.23;;-3.87;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM451779;MM451779;Cn1cncc2cnnc1-2;CTIXKSNEUGJBDR-UHFFFAOYSA-N;134.14;0.31;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP1_SNa";;;;;;;0.04;;-2.54;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM451780;MM451780;C=CCN=CNCCC#N;ROUVZTHWGPSQOK-UHFFFAOYSA-N;137.19;0.7;;;;;DOPC;MDCG;27;1;"MARTINI bead: C5_P2";;;;;;;0.54;;-3.82;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM451781;MM451781;Nn1cncc2cnnc1-2;DDAIVZGPJPNOGL-UHFFFAOYSA-N;135.13;-0.51;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP1_SP1";;;;;;;-0.79;;-3.13;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM451782;MM451782;N#CCCNC=NCC=O;XUPNJHXOAAGWRU-UHFFFAOYSA-N;139.16;-0.28;;;;;DOPC;MDCG;27;1;"MARTINI bead: Na_P2";;;;;;;-0.24;;-5.08;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM451783;MM451783;On1cncc2cnnc1-2;LHULWIBNBSORIV-UHFFFAOYSA-N;136.11;0.02;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP1_SP1";;;;;;;-0.79;;-3.13;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM451784;MM451784;N#CCCN=CNNC=N;PQIPNGLASUCSCN-UHFFFAOYSA-N;139.16;-0.37;;;;;DOPC;MDCG;27;1;"MARTINI bead: P4_N0";;;;;;;-0.88;;-6;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM451785;MM451785;Cn1nccc2cnnc1-2;VLRCYQHLVGBPFC-UHFFFAOYSA-N;134.14;0.31;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP1_SNa";;;;;;;0.04;;-2.54;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM451786;MM451786;C=CCN=CNNCC#N;PXYYVDPUXBPOOI-UHFFFAOYSA-N;138.17;-0.18;;;;;DOPC;MDCG;27;1;"MARTINI bead: C5_P3";;;;;;;-0.33;;-3.4;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM451787;MM451787;Nn1nccc2cnnc1-2;RXXFXLBXQPHESS-UHFFFAOYSA-N;135.13;-0.51;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP1_SP1";;;;;;;-0.79;;-3.13;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM451788;MM451788;C=CCNN=CNNC=N;MNUZUERZDFZXOG-UHFFFAOYSA-N;141.18;-0.59;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_P4";;;;;;;-1.19;;-7.08;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM451789;MM451789;Cn1nncc2cnnc1-2;WVTYZDIPBNMHNN-UHFFFAOYSA-N;135.13;-0.29;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP2_SP1";;;;;;;-1.06;;-3.82;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM451790;MM451790;Cc1cn(C=O)nc1N;GRQHHQRRYSDVHU-UHFFFAOYSA-N;125.13;-0.19;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP1_SP1";;;;;;;-0.79;;-3.13;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM451791;MM451791;Nn1nncc2cnnc1-2;FQZBSCJEYFAZKA-UHFFFAOYSA-N;136.12;-1.11;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP2_SP1";;;;;;;-1.06;;-3.82;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM451792;MM451792;N#CCNN=CNNC=N;FBKWUCNZIVYKPY-UHFFFAOYSA-N;140.15;-1.26;;;;;DOPC;MDCG;27;1;"MARTINI bead: P4_P1";;;;;;;-2.01;;-7.34;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM451793;MM451793;ON=c1[nH]nnn1O;POMKBWTWOWIXFI-UHFFFAOYSA-N;117.07;-1.87;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP3_SP2";;;;;;;-2.2;;-9.64;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM451794;MM451794;C=CCNC=NOCC=C;MSWSSNABZOCOKT-UHFFFAOYSA-N;140.19;0.91;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nd_Na";;;;;;;0.87;;-1.88;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM451795;MM451795;Cn1ccnc2cnnc1-2;IEFSSAZLMQUKCK-UHFFFAOYSA-N;134.14;0.31;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP1_SNa";;;;;;;0.04;;-2.54;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM451796;MM451796;CNC1=CC(=O)C(C)=N1;ZQXYOJRTOPLMRK-UHFFFAOYSA-N;124.14;0.09;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNd_SNa";;;;;;;0.87;;-1.88;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM451797;MM451797;Nn1ccnc2cnnc1-2;KYZWRXMZGCMENF-UHFFFAOYSA-N;135.13;-0.51;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP1_SP1";;;;;;;-0.79;;-3.13;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM451798;MM451798;CC1C(=O)CCN1C=O;OOLDNMKTBIIDNA-UHFFFAOYSA-N;127.14;-0.19;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNda_SP2";;;;;;;-0.24;;-3.31;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM451799;MM451799;On1ccnc2cnnc1-2;RIZIDALQRXETJN-UHFFFAOYSA-N;136.11;0.02;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP1_SP1";;;;;;;-0.79;;-3.13;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM451800;MM451800;N#CCON=CNNC=N;MHCVSCZVCKWNSU-UHFFFAOYSA-N;141.13;-0.83;;;;;DOPC;MDCG;27;1;"MARTINI bead: P4_Na";;;;;;;-1.19;;-6.92;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM451801;MM451801;Cn1cnnc2cnnc1-2;KTXKVXPLOPGAMR-UHFFFAOYSA-N;135.13;-0.29;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP2_SP1";;;;;;;-1.06;;-3.82;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM451802;MM451802;CC1C(F)C=NN1C=O;LXMZKRPPSNRWRJ-UHFFFAOYSA-N;130.12;0.17;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP1_SP1";;;;;;;-0.79;;-3.13;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM451803;MM451803;Nn1cnnc2cnnc1-2;DUNRSLZHURLZFW-UHFFFAOYSA-N;136.12;-1.11;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP2_SP2";;;;;;;-1.34;;-4.31;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM451804;MM451804;CNc1cnn(N)c1F;MRBNWFLYFRQHAR-UHFFFAOYSA-N;130.13;-0.22;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNd_SNda";;;;;;;0.87;;-1.92;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM451805;MM451805;Cn1ncnc2cnnc1-2;NYNZYMNRQPACMT-UHFFFAOYSA-N;135.13;-0.29;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP2_SP1";;;;;;;-1.06;;-3.82;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM451806;MM451806;C=NN1C=CC(=O)CC1;UHZVDVBRPKKQJB-UHFFFAOYSA-N;124.14;0.39;;;;;DOPC;MDCG;27;0;"MARTINI bead: SN0_SP2";;;;;;;0.06;;-2.21;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM451807;MM451807;Nn1ncnc2cnnc1-2;DLMCIGLZHLUGJN-UHFFFAOYSA-N;136.12;-1.11;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP2_SP1";;;;;;;-1.06;;-3.82;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM451808;MM451808;C=CN=CNNCCC=O;LEZURCHGZNVLCH-UHFFFAOYSA-N;141.17;-0.16;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_P3";;;;;;;-1.1;;-6;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM451809;MM451809;CC(F)C(=NO)C(F)F;QZJWVKTVFPDMFQ-UHFFFAOYSA-N;141.09;1.44;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda_N0";;;;;;;1.17;;-7.43;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM451810;MM451810;C=CN=CNNCCC#N;NPWQEMRSTYLCRL-UHFFFAOYSA-N;138.17;0.17;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_P2";;;;;;;-0.24;;-5.23;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM451811;MM451811;Cn1nnnc2cnnc1-2;XTCJZHTUQONFGA-UHFFFAOYSA-N;136.12;-0.9;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP2_SP1";;;;;;;-1.06;;-3.82;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM451812;MM451812;CCN=C(NN)C(C)(F)F;DODXXWGFEWKZPX-UHFFFAOYSA-N;151.16;0.52;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_P1";;;;;;;0.81;;-0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM451813;MM451813;Nn1nnnc2cnnc1-2;ROESCVHDOZTUEM-UHFFFAOYSA-N;137.11;-1.72;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP2_SP1";;;;;;;-1.06;;-3.82;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM451814;MM451814;C=CCC=COCCC=C;UKOMRNVNBMQBQB-UHFFFAOYSA-N;138.21;2.67;;;;;DOPC;MDCG;27;0;"MARTINI bead: C3_C5";;;;;;;3.34;;0.48;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM451815;MM451815;OCc1n[nH]c(=NO)n1O;ANYBLCFUVWAQQW-UHFFFAOYSA-N;146.11;-1.77;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP2_SP5";;;;;;;-2.22;;-9.64;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM451816;MM451816;C=CCCOC=CCC#N;PWVGBOYUMZPUOP-UHFFFAOYSA-N;137.18;2.01;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_N0";;;;;;;1.17;;-1.18;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM451817;MM451817;Cn1cccc2ncnc1-2;HDGRUPSHIORBCY-UHFFFAOYSA-N;133.15;0.92;;;;;DOPC;MDCG;27;0;"MARTINI bead: SN0_SNa";;;;;;;1.17;;-1.18;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM451818;MM451818;Nn1cccc2ncnc1-2;HBNYTKRPHOSTCA-UHFFFAOYSA-N;134.14;0.1;;;;;DOPC;MDCG;27;0;"MARTINI bead: SN0_SNda";;;;;;;1.17;;-1.13;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM451819;MM451819;C=CCCOC=CNC=N;NGYSNEAZWNJFKY-UHFFFAOYSA-N;140.19;1.25;;;;;DOPC;MDCG;27;1;"MARTINI bead: C3_P3";;;;;;;0.6;;-3.62;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM451820;MM451820;C=CCCOC=COC=C;RNUIIRDJWXSKOO-UHFFFAOYSA-N;140.18;2.21;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_C5";;;;;;;1.64;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM451821;MM451821;On1cccc2ncnc1-2;REMGQFLUKHNBEN-UHFFFAOYSA-N;135.13;0.62;;;;;DOPC;MDCG;27;0;"MARTINI bead: SN0_SNda";;;;;;;1.17;;-1.13;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM451822;MM451822;C=COC=COCCC=O;CKGNWFUPQAUJTO-UHFFFAOYSA-N;142.15;1.22;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_P2";;;;;;;0.54;;-1.09;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM451823;MM451823;Cn1cncc2ncnc1-2;FAUCUWNCMBVOPX-UHFFFAOYSA-N;134.14;0.31;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP1_SNa";;;;;;;0.04;;-2.54;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM451824;MM451824;C=COC=COCCC#N;AUZCQNBZSBHPDX-UHFFFAOYSA-N;139.15;1.55;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_Na";;;;;;;0.87;;-2.22;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM451825;MM451825;Nn1cncc2ncnc1-2;FYKFWRRURIMVCE-UHFFFAOYSA-N;135.13;-0.51;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP1_SP1";;;;;;;-0.79;;-3.13;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM451826;MM451826;C=CCC=COCOC=O;PVTQVURYRLNAJU-UHFFFAOYSA-N;142.15;1.22;;;;;DOPC;MDCG;27;0;"MARTINI bead: C2_P2";;;;;;;1.72;;0.27;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM451827;MM451827;On1cncc2ncnc1-2;CYYQSLSRZGVVHE-UHFFFAOYSA-N;136.11;0.02;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP1_SP1";;;;;;;-0.79;;-3.13;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM451828;MM451828;O=CNC=COCOC=O;UCNXSRRDFZANPQ-UHFFFAOYSA-N;145.11;-0.65;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_P1";;;;;;;-0.79;;-3.13;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM451829;MM451829;Cn1nccc2ncnc1-2;RHFGUMAGCUUGHS-UHFFFAOYSA-N;134.14;0.31;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP1_SNa";;;;;;;0.04;;-2.54;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM451830;MM451830;C=COC=COCOC=C;YCIZORBNDROEMY-UHFFFAOYSA-N;142.15;1.75;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_Na";;;;;;;0.87;;-2.22;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM451831;MM451831;Nn1nccc2ncnc1-2;PCOHRBMEEHGURU-UHFFFAOYSA-N;135.13;-0.51;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP1_SP1";;;;;;;-0.79;;-3.13;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM451832;MM451832;C=COCOC=COC=O;TUBNZWRORKDDJD-UHFFFAOYSA-N;144.13;0.76;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_P1";;;;;;;0.81;;-0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM451833;MM451833;Cn1nncc2ncnc1-2;GVHIJXGQUJXTEC-UHFFFAOYSA-N;135.13;-0.29;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP2_SP1";;;;;;;-1.06;;-3.82;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM451834;MM451834;C=COC=COCOC=O;JNYQJCFKGVQFBM-UHFFFAOYSA-N;144.13;0.76;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_P1";;;;;;;0.81;;-0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM451835;MM451835;Nn1nncc2ncnc1-2;JNBDQLRMVOCBFM-UHFFFAOYSA-N;136.12;-1.11;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP2_SP1";;;;;;;-1.06;;-3.82;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM451836;MM451836;C=COC=COCON=C;IQWJNLRFDDJEEV-UHFFFAOYSA-N;143.14;1.22;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_P1";;;;;;;0.81;;-0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM451837;MM451837;Cn1ccnc2ncnc1-2;QRFWKTIHJCXCHR-UHFFFAOYSA-N;134.14;0.31;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP1_SNa";;;;;;;0.04;;-2.54;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM451838;MM451838;C=CCCOC=NNC=O;CNLXMUGAZWODSO-UHFFFAOYSA-N;142.16;0.27;;;;;DOPC;MDCG;27;0;"MARTINI bead: C3_P3";;;;;;;0.6;;-0.8;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM451839;MM451839;Nn1ccnc2ncnc1-2;YFDBICSOJVPZNY-UHFFFAOYSA-N;135.13;-0.51;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP1_SP1";;;;;;;-0.79;;-3.13;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM451840;MM451840;CCN(C)C(C)=CC(C)=O;HELRDTMVZNEHSZ-UHFFFAOYSA-N;141.21;1.43;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_P1";;;;;;;0.81;;-0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM451841;MM451841;On1ccnc2ncnc1-2;ZDAZPZVCVUUXJI-UHFFFAOYSA-N;136.11;0.02;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP1_SP1";;;;;;;-0.79;;-3.13;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM451842;MM451842;C=COC=NOCOC=C;WUAWZJGZJCCODM-UHFFFAOYSA-N;143.14;1.22;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_Na";;;;;;;0.87;;-2.22;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM451843;MM451843;Cn1cnnc2ncnc1-2;WIIIYLCLIYMIAA-UHFFFAOYSA-N;135.13;-0.29;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP2_SP1";;;;;;;-1.06;;-3.82;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM451844;MM451844;C#CCC=CCCCC=C;KVZVHNKFMOOWPG-UHFFFAOYSA-N;134.22;2.92;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1_C5";;;;;;;3.68;;0.46;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM451845;MM451845;Nn1cnnc2ncnc1-2;SHTNLAMHPUHVLZ-UHFFFAOYSA-N;136.12;-1.11;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP2_SP2";;;;;;;-1.34;;-4.31;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM451846;MM451846;CC(F)=CC=NNCC#N;NNVBLKAQDOUQDY-UHFFFAOYSA-N;141.15;0.96;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_P1";;;;;;;0.81;;-0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM451847;MM451847;Cn1ncnc2ncnc1-2;BAALVHJYJKGATR-UHFFFAOYSA-N;135.13;-0.29;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP2_SP1";;;;;;;-1.06;;-3.82;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM451848;MM451848;C#CCC=CCCOC=O;YWRLSZVQPULRMK-UHFFFAOYSA-N;138.17;1.13;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_C3";;;;;;;1.74;;0.29;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM451849;MM451849;Nn1ncnc2ncnc1-2;DNNFJIBQYSTIOK-UHFFFAOYSA-N;136.12;-1.11;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP2_SP1";;;;;;;-1.06;;-3.82;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM451850;MM451850;C#CCC=CCCON=C;SKBCPJUOTHOATK-UHFFFAOYSA-N;137.18;1.59;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_C3";;;;;;;1.74;;0.29;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM451851;MM451851;C#Cc1n[nH]c(=NO)n1O;BTAZYZCATLOJRY-UHFFFAOYSA-N;140.1;-1.28;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP5_SP2";;;;;;;-2.22;;-9.64;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM451852;MM451852;C#CCC=CCNCC=C;GVCWOGYJPCMWCU-UHFFFAOYSA-N;135.21;1.34;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_C5";;;;;;;1.64;;-1.62;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM451853;MM451853;Cn1nnnc2ncnc1-2;ORYHJLBPLAXWIF-UHFFFAOYSA-N;136.12;-0.9;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP2_SP1";;;;;;;-1.06;;-3.82;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM451854;MM451854;C#CCC=CCNCC#N;WNPGFIQGUOCUCW-UHFFFAOYSA-N;134.18;0.68;;;;;DOPC;MDCG;27;0;"MARTINI bead: C3_P3";;;;;;;0.6;;-0.8;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM451855;MM451855;Nn1nnnc2ncnc1-2;OBEFWGSIYVKSQC-UHFFFAOYSA-N;137.11;-1.72;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP2_SP1";;;;;;;-1.06;;-3.82;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM451856;MM451856;C#CCC=CCOCC=O;IQWHADXWOGKWJA-UHFFFAOYSA-N;138.17;0.78;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_C5";;;;;;;0.81;;-0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM451857;MM451857;C#CC(O)C(=NO)C(F)F;FEGWTXSEEFAURH-UHFFFAOYSA-N;149.1;0.08;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_N0";;;;;;;0.06;;-7.43;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM451858;MM451858;C#CCNC=NCCC=O;HSHZYXBMZJAESG-UHFFFAOYSA-N;138.17;-0.17;;;;;DOPC;MDCG;27;1;"MARTINI bead: Na_P1";;;;;;;0.04;;-4.31;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM451859;MM451859;O=c1cccc2[nH]occ1-2;BAPYMWFJQBXNCA-UHFFFAOYSA-N;135.12;1.07;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC5_SNda";;;;;;;1.64;;0.05;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM451860;MM451860;C#CCNC=NOCC=C;VOIDFDDDWOSNBT-UHFFFAOYSA-N;138.17;0.36;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_P2";;;;;;;0.54;;-1.09;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM451861;MM451861;CCOC(=NO)C(F)(F)F;QYQSXJYLTCQGGY-UHFFFAOYSA-N;157.09;1.37;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda_N0";;;;;;;1.17;;-7.43;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM451862;MM451862;CN=CN=NC(C)=CNN;JAVURQUCJJILKC-UHFFFAOYSA-N;141.18;0.42;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4_P3";;;;;;;0.23;;-1.03;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM451863;MM451863;NCc1n[nH]c(=NO)n1O;YYSAOSOKGABXQX-UHFFFAOYSA-N;145.12;-1.8;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP2_SP3";;;;;;;-2.2;;-9.64;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM451864;MM451864;C#CC(C)(C=O)NN=CC;RNNNOCOWWGVPDV-UHFFFAOYSA-N;138.17;0.17;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nd_Na";;;;;;;0.87;;-1.88;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM451865;MM451865;C#CC(F)(F)C(C=O)=NO;WOZDPQPTNMGVMT-UHFFFAOYSA-N;147.08;0.28;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_N0";;;;;;;0.34;;-7.43;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM451866;MM451866;C#CCC=COCCC=C;OISXKQAQFPXNEC-UHFFFAOYSA-N;136.19;2.12;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_C5";;;;;;;1.64;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM451867;MM451867;O=c1cccc2[nH]onc1-2;HHAXIEYREQRFTG-UHFFFAOYSA-N;136.11;0.47;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC5_SNda";;;;;;;1.64;;0.05;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM451868;MM451868;C#CCC=COCCC#N;HECHAETZZBILCI-UHFFFAOYSA-N;135.17;1.45;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_P1";;;;;;;0.81;;-0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM451869;MM451869;ON=c1[nH]nc(O)n1O;JXIGFIMJAJRAFF-UHFFFAOYSA-N;132.08;-1.56;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP5_SP2";;;;;;;-2.22;;-9.64;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM451870;MM451870;C#CCC=COCOC=C;JNABCAVAFASTRP-UHFFFAOYSA-N;138.17;1.66;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_C5";;;;;;;1.64;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM451871;MM451871;O=Cc1n[nH]c(=NO)[nH]1;CHHBEAODSFMMMW-UHFFFAOYSA-N;128.09;-1.16;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP5_SP2";;;;;;;-2.22;;-9.64;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM451872;MM451872;C#CCC=NOCOC=C;VGXFABPJLIJEKE-UHFFFAOYSA-N;139.15;1.13;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_N0";;;;;;;1.17;;-1.18;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM451873;MM451873;C#CC(=O)N(C)N=CCF;SZNYPDOMQIWMDF-UHFFFAOYSA-N;142.13;0.03;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_P1";;;;;;;0.04;;-2.54;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM451874;MM451874;C#CCC=NOCOC=O;DHBZOLGRKIOCHY-UHFFFAOYSA-N;141.13;0.14;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_C5";;;;;;;0.54;;-1.09;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM451875;MM451875;C#CCC=NOCON=C;YDOXGVUSWFQPRL-UHFFFAOYSA-N;140.14;0.6;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_C5";;;;;;;0.54;;-1.09;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM451876;MM451876;C#CCNN=CC(=C)C#N;AUVCBXJXADHHTF-UHFFFAOYSA-N;133.15;0.27;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_N0";;;;;;;0.34;;-1.53;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM451877;MM451877;C#CCCCC=CCCC;YOGDWZQATMZSLD-UHFFFAOYSA-N;136.24;3.15;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1_C3";;;;;;;4.61;;0.31;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM451878;MM451878;C=NNC(OC)=C(C)C#N;TYIKWMNZKOGKGI-UHFFFAOYSA-N;139.16;0.59;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_P2";;;;;;;0.54;;-1.09;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM451879;MM451879;C#CCCCC=CCCO;BVXIBJWJSFEYJQ-UHFFFAOYSA-N;138.21;1.73;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda_C1";;;;;;;2.91;;0.57;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM451880;MM451880;N#CC(F)(F)C(CO)=NO;NETMSQDOGBFHNA-UHFFFAOYSA-N;150.08;-0.03;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_N0";;;;;;;0.06;;-7.43;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM451881;MM451881;O=c1ccoc2[nH]ccc12;OHMBBZBJTJSJLN-UHFFFAOYSA-N;135.12;1.12;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP1_SNd";;;;;;;0.04;;-2.63;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM451882;MM451882;C#CCCCC=CCCF;BKSCKJFQMLGOPH-UHFFFAOYSA-N;140.2;2.71;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4_C1";;;;;;;4.24;;0.42;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM451883;MM451883;O=c1cccc2o[nH]cc1-2;QFFHNTADEHNORR-UHFFFAOYSA-N;135.12;1.07;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC5_SNda";;;;;;;1.64;;0.05;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM451884;MM451884;C#CCCCC=CCOC;ADMADOMTMBACES-UHFFFAOYSA-N;138.21;1.99;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_C1";;;;;;;2.91;;0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM451885;MM451885;N=c1[nH]cc2o[nH]c(=N)n12;SAHGQUWHARLQOM-UHFFFAOYSA-N;139.12;-0.85;;;;;DOPC;MDCG;27;1;"MARTINI bead: SP1_SP2";;;;;;;-1.06;;-5.28;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM451886;MM451886;C#CCCCC=COCC;WKOUTMDQCLDKPI-UHFFFAOYSA-N;138.21;2.34;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_C3";;;;;;;3.34;;0.48;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM451887;MM451887;N=c1[nH]oc2c[nH]c(=O)n12;RUQMYFYPYJYPPW-UHFFFAOYSA-N;140.1;-0.97;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP1_SP3";;;;;;;-1.93;;-4.72;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM451888;MM451888;C#CCNCC=CCCC;NPNIEOYDZYWIDQ-UHFFFAOYSA-N;137.23;1.57;;;;;DOPC;MDCG;27;1;"MARTINI bead: C1_P2";;;;;;;1.8;;-0.14;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM451889;MM451889;N=c1[nH]oc2cnc(O)n12;RUQMYFYPYJYPPW-UHFFFAOYSA-N;140.1;-0.56;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP1_SP2";;;;;;;-1.06;;-3.82;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM451890;MM451890;C#CCNCC=CCNC;LOYKTSCWOJYVCU-UHFFFAOYSA-N;138.21;-0.02;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1_Nd";;;;;;;0.04;;-4.99;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM451891;MM451891;C=NNCC(=NOC)NN;MCHKAFIDXLNLMW-UHFFFAOYSA-N;145.17;-1.39;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_P1";;;;;;;-0.79;;-3.13;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM451892;MM451892;C#CCOCC=CCCC;VLXFFZFKLAHPKI-UHFFFAOYSA-N;138.21;1.99;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1_Na";;;;;;;2.91;;0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM451893;MM451893;N#CCN(C=O)N=CCF;XFLWIYYYNZRBRV-UHFFFAOYSA-N;143.12;-0.08;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_P3";;;;;;;-0.33;;-2.01;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM451894;MM451894;C#CCOCC=CCCN;DVRHQPZBOXIKHH-UHFFFAOYSA-N;139.2;0.54;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_Na";;;;;;;0.87;;-4.64;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM451895;MM451895;C#CCOCC=CCOC;RFAIXCCEOWVZJF-UHFFFAOYSA-N;140.18;0.84;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_Na";;;;;;;0.87;;-2.22;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM451896;MM451896;Cc1nnc2o[nH]c(=N)n12;LRNQRMHPPCZXKY-UHFFFAOYSA-N;139.12;-0.56;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP1_SP2";;;;;;;-1.06;;-3.82;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM451897;MM451897;C#CCOCC=NOCC;UZROHAFAUVRSLK-UHFFFAOYSA-N;141.17;0.66;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_Na";;;;;;;0.87;;-2.22;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM451898;MM451898;N=c1[nH]oc2nnc(N)n12;SZRNDWZBXSNRNK-UHFFFAOYSA-N;140.11;-1.29;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP2_SP2";;;;;;;-1.34;;-4.31;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM451899;MM451899;C#CCCNC=NCCN;YBDXYHVNWSKSHL-UHFFFAOYSA-N;139.2;-0.41;;;;;DOPC;MDCG;27;1;"MARTINI bead: P2_Nd";;;;;;;-0.24;;-6.13;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM451900;MM451900;C#CCNNC=NCCN;SYQJBCXMVRCAJF-UHFFFAOYSA-N;140.19;-1.3;;;;;DOPC;MDCG;27;1;"MARTINI bead: P4_P2";;;;;;;-2.29;;-7.57;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM451901;MM451901;O=c1[nH]cc2o[nH]c(=O)n12;HWVZZMPRRNAGJW-UHFFFAOYSA-N;141.09;-1.09;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP1_SP3";;;;;;;-1.93;;-4.72;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM451902;MM451902;C#CCNNC=NOCC;LBJCPJPUSMMXDR-UHFFFAOYSA-N;141.17;-0.31;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda_P2";;;;;;;-0.24;;-3.31;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM451903;MM451903;N#CC(F)(F)C(C=O)=NO;FBIIRZLAOSDRPL-UHFFFAOYSA-N;148.07;0.17;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_N0";;;;;;;0.34;;-7.43;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM451904;MM451904;CNN=CC(C)(C#N)CF;VKXLDFIFSCVYBH-UHFFFAOYSA-N;143.17;0.69;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nd_Na";;;;;;;0.87;;-1.88;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM451905;MM451905;C=c1occ2c1=C(C)CC2;QFTHIPJPKHEDPZ-UHFFFAOYSA-N;134.18;0.81;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC4_SC5";;;;;;;2.97;;0.45;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM451906;MM451906;C#CCCNN=CCCC;XHKSGICDNSIQGJ-UHFFFAOYSA-N;138.21;1.39;;;;;DOPC;MDCG;27;0;"MARTINI bead: N0_Nd";;;;;;;1.17;;-1.04;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM451907;MM451907;C=c1occ2c1=C(C)OC2;RTKXNXYPLSVFCV-UHFFFAOYSA-N;136.15;0.35;;;;;DOPC;MDCG;27;0;"MARTINI bead: SN0_SNa";;;;;;;1.17;;-1.18;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM451908;MM451908;C#CCCNN=CCCN;RMXPDZYGWRFLNN-UHFFFAOYSA-N;139.2;-0.07;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1_Nd";;;;;;;0.04;;-5.05;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM451909;MM451909;C=c1occ2c1=C(C)CO2;NEKORYGRORJIAE-UHFFFAOYSA-N;136.15;0.25;;;;;DOPC;MDCG;27;0;"MARTINI bead: SN0_SNa";;;;;;;1.17;;-1.18;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM451910;MM451910;C#CCCOC=CCCC;MLSAAPBVUFNMHM-UHFFFAOYSA-N;138.21;2.34;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1_Na";;;;;;;2.91;;0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM451911;MM451911;C=c1occ2c1=C(C)C=C2;KGIUJDPDNQTWGL-UHFFFAOYSA-N;132.16;0.89;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC4_SC5";;;;;;;2.97;;0.45;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM451912;MM451912;C#CCCOC=CCCF;AFJCMJPLKWSBGX-UHFFFAOYSA-N;142.17;1.9;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4_Na";;;;;;;2.2;;0.34;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM451913;MM451913;N=c1ncc2ccc(=O)c1=2;BGEYLLJIGSTXNI-UHFFFAOYSA-N;132.12;-0.48;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNa_SP1";;;;;;;0.04;;-2.54;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM451914;MM451914;C#CCCOC=CCNC;LKZLOMYBZXWHRE-UHFFFAOYSA-N;139.2;0.76;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_Na";;;;;;;0.87;;-3.97;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM451915;MM451915;N=c1ncc2cnc(=N)c1=2;WREYKMUJCPSQLN-UHFFFAOYSA-N;132.13;-0.96;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNa_SP2";;;;;;;-0.24;;-3.24;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM451916;MM451916;C#CCCOC=COCC;NVCQHFPTQXLTIB-UHFFFAOYSA-N;140.18;1.53;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_Na";;;;;;;1.64;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM451917;MM451917;N=c1ncc2cnc(=O)c1=2;MTXZBAFFPKCTNW-UHFFFAOYSA-N;133.11;-1.08;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNa_SP3";;;;;;;-1.1;;-4.2;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM451918;MM451918;CC=NNC(C)C(=O)CC;QYTBBLBLZAARLN-UHFFFAOYSA-N;142.2;0.95;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_Nd";;;;;;;1.64;;0.02;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM451919;MM451919;O=c1ncc2cnc(=O)c1=2;OAZYDWQEKRQZIK-UHFFFAOYSA-N;134.09;-1.2;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNa_SP3";;;;;;;-1.1;;-4.2;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM451920;MM451920;C#CCCON=CCCC;CSRCLZHBJCAPRZ-UHFFFAOYSA-N;139.2;1.81;;;;;DOPC;MDCG;27;0;"MARTINI bead: N0_Na";;;;;;;1.17;;-1.18;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM451921;MM451921;N=c1ncc2ncc(=O)c1=2;SIXTYIFULDKCLQ-UHFFFAOYSA-N;133.11;-1.08;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNa_SP2";;;;;;;-0.24;;-3.24;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM451922;MM451922;C#CCCON=COCC;WFWXFVIXHMIHMY-UHFFFAOYSA-N;141.17;1.01;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_Na";;;;;;;0.87;;-2.22;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM451923;MM451923;CC1Cc2cncc(=N)n21;HTFORQAGOAMWBB-UHFFFAOYSA-N;135.17;0.48;;;;;DOPC;MDCG;27;1;"MARTINI bead: SNa_SP2";;;;;;;-0.24;;-4.97;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM451924;MM451924;C#CCCCC=CCC=C;LNQVMVXBERBPFQ-UHFFFAOYSA-N;134.22;2.92;;;;;DOPC;MDCG;27;0;"MARTINI bead: C2_C3";;;;;;;4.53;;0.32;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM451925;MM451925;CC1Cc2cncc(=O)n21;VKOHSFJBXFOCEY-UHFFFAOYSA-N;136.15;0.36;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNa_SP1";;;;;;;0.04;;-2.54;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM451926;MM451926;C#CCOCC=CCC=C;PEWQNRKVYLGOLK-UHFFFAOYSA-N;136.19;1.77;;;;;DOPC;MDCG;27;0;"MARTINI bead: C3_Na";;;;;;;2.57;;0.45;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM451927;MM451927;CC1Cc2nncc(=N)n21;KTZMDRQEIZXHFP-UHFFFAOYSA-N;136.16;-0.13;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP1_SP2";;;;;;;-1.06;;-3.82;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM451928;MM451928;C#CCOCC=CCC#N;DFSGUARSGLZZRH-UHFFFAOYSA-N;135.17;1.11;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_N0";;;;;;;1.17;;-1.18;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM451929;MM451929;CC1Cc2nncc(=O)n21;RGNMBPJWXQLGCM-UHFFFAOYSA-N;137.14;-0.24;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP1_SP3";;;;;;;-1.93;;-4.72;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM451930;MM451930;C#CCOCC=COC=C;UOUVKRRNMUWACE-UHFFFAOYSA-N;138.17;1.31;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_Na";;;;;;;1.64;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM451931;MM451931;O=C1Cc2cncc(=O)n21;PVLMJZSPZKRGMH-UHFFFAOYSA-N;136.11;-0.56;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP2_SP2";;;;;;;-1.34;;-4.31;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM451932;MM451932;C#CCCN=CNCC#N;IDXBHAUEELBRTC-UHFFFAOYSA-N;135.17;0.15;;;;;DOPC;MDCG;27;1;"MARTINI bead: N0_P1";;;;;;;0.34;;-2.57;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM451933;MM451933;O=C1Cc2cn[nH]c(=O)c21;XTZWKXDPQCMDAG-UHFFFAOYSA-N;136.11;-0.49;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNa_SP2";;;;;;;-0.24;;-3.24;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM451934;MM451934;C#CCNNC=NCC=C;BOWZTEHCVAGXJR-UHFFFAOYSA-N;137.19;-0.07;;;;;DOPC;MDCG;27;1;"MARTINI bead: C5_P3";;;;;;;-0.33;;-3.42;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM451935;MM451935;CCC(CC)(CC)C1CC1;GCHBZVZJSXVRCP-UHFFFAOYSA-N;140.27;3.61;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1_SC5";;;;;;;3.68;;0.46;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM451936;MM451936;C#CCNN=CNNC=N;OGNXAABKPMJSMX-UHFFFAOYSA-N;139.16;-1.15;;;;;DOPC;MDCG;27;1;"MARTINI bead: P4_P1";;;;;;;-2.01;;-7.34;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM451937;MM451937;CCC(CC)(CC)C1CO1;NMEXHSPLFWUQNV-UHFFFAOYSA-N;142.24;2.6;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1_SP1";;;;;;;2.08;;0.48;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM451938;MM451938;C=NNCC(N)=C(C)C#N;OGUIZHIBQWCOIO-UHFFFAOYSA-N;138.17;-0.05;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_Nd";;;;;;;-0.24;;-3.16;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM451939;MM451939;C=CC(C=C)(CC)N1CC1;WJOYLZHTVVFMSG-UHFFFAOYSA-N;137.23;1.82;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1_SP2";;;;;;;1.8;;0.45;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM451940;MM451940;C#CCCNN=CCC=C;MXBGLRYZUVVLCU-UHFFFAOYSA-N;136.2;1.16;;;;;DOPC;MDCG;27;0;"MARTINI bead: N0_Nd";;;;;;;1.17;;-1.04;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM451941;MM451941;C#CC(C#C)(OC)C1CN1;CFXMLNAUULPGPF-UHFFFAOYSA-N;135.17;-0.39;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_SP2";;;;;;;-0.24;;-3.24;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM451942;MM451942;C#CCC=NNC(C)C#N;XSOUSDCCUBLVAG-UHFFFAOYSA-N;135.17;0.5;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_C5";;;;;;;0.54;;-1.09;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM451943;MM451943;C=CCN=C(NN)OC=O;LDGOFSUBKHHDCT-UHFFFAOYSA-N;143.15;-0.84;;;;;DOPC;MDCG;27;0;"MARTINI bead: P3_C4";;;;;;;0.23;;-1.03;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM451944;MM451944;C=NNCC(=CC#N)NC;ZUUNUTBAIAYPSE-UHFFFAOYSA-N;138.17;-0.18;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nd_P1";;;;;;;0.04;;-2.63;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM451945;MM451945;CNC1C(C)C(CO)C1C;GBUKOUHILPYJLF-UHFFFAOYSA-N;143.23;0.47;;;;;DOPC;MDCG;27;1;"MARTINI bead: SNd_SNda";;;;;;;0.87;;-4.83;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM451946;MM451946;C#CCCOC=CCC=O;PRGVMHLZMSPNLW-UHFFFAOYSA-N;138.17;1.13;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_Na";;;;;;;0.87;;-2.22;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM451947;MM451947;COC1C(C)C(CN)C1C;FTUQZQAUJZBADM-UHFFFAOYSA-N;143.23;0.86;;;;;DOPC;MDCG;27;1;"MARTINI bead: SC5_SNd";;;;;;;1.64;;-2.69;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM451948;MM451948;C#CCCOC=CNC=N;ZSVMPTBKBMECAZ-UHFFFAOYSA-N;138.17;0.69;;;;;DOPC;MDCG;27;1;"MARTINI bead: P2_N0";;;;;;;0.06;;-5.13;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM451949;MM451949;COC1C(C)C(OC)C1C;AQKWMLWILIBSML-UHFFFAOYSA-N;144.21;1.3;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC5_SC5";;;;;;;2.41;;0.64;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM451950;MM451950;C#CCCOC=COC=C;JTQOJRZFASIKEE-UHFFFAOYSA-N;138.17;1.66;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_Na";;;;;;;1.64;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM451951;MM451951;CCC1C(C)N(CC)C1C;ROCGIKRHUKDDOU-UHFFFAOYSA-N;141.26;2.13;;;;;DOPC;MDCG;27;1;"MARTINI bead: SN0_SC5";;;;;;;1.94;;-1.31;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM451952;MM451952;C#CCCOC=NOC=O;SYSZVVOHPIDLIF-UHFFFAOYSA-N;141.13;0.14;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_C5";;;;;;;0.54;;-1.09;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM451953;MM451953;CCN1C(C)C(CN)C1C;PFUJRLRLJRETRH-UHFFFAOYSA-N;142.25;0.67;;;;;DOPC;MDCG;27;1;"MARTINI bead: SC5_SP2";;;;;;;0.54;;-3.66;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM451954;MM451954;C#CCCON=COC=C;FEILMQUSUQCNKR-UHFFFAOYSA-N;139.15;1.13;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_C5";;;;;;;1.64;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM451955;MM451955;CCN1C(C)C(NC)C1C;DIVCQZQYPXLHRS-UHFFFAOYSA-N;142.25;0.69;;;;;DOPC;MDCG;27;1;"MARTINI bead: SC5_SP2";;;;;;;0.54;;-3.17;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM451956;MM451956;CC=CC=CCCCCC;RMWHYWJWLBDARH-UHFFFAOYSA-N;138.25;3.7;;;;;DOPC;MDCG;27;0;"MARTINI bead: C3_C1";;;;;;;4.61;;0.31;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM451957;MM451957;C=CC1C(C)C(CC)C1C;PPAJSNBMHXVXDE-UHFFFAOYSA-N;138.25;3.1;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC1_SC4";;;;;;;4.24;;0.42;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM451958;MM451958;CC=CC=CCCCCF;DGXMRNCSHODMTF-UHFFFAOYSA-N;142.22;3.26;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1_C4";;;;;;;4.24;;0.42;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM451959;MM451959;C=NNCCC(C#N)NC;FZNCQGRADCZIJU-UHFFFAOYSA-N;140.19;-0.31;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_Nd";;;;;;;-0.24;;-3.16;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM451960;MM451960;ON=CC=CCCCCF;PLTIDNFBVYYVKB-UHFFFAOYSA-N;145.18;2.14;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda_C4";;;;;;;2.2;;0.49;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM451961;MM451961;C=CC1C(N)C(CN)C1N;QHLDUJNUZKIATH-UHFFFAOYSA-N;141.22;-0.97;;;;;DOPC;MDCG;27;1;"MARTINI bead: SP2_SNd";;;;;;;-0.24;;-5.75;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM451962;MM451962;CNCCCC=CC=CF;TXBGNCWPNPJUPQ-UHFFFAOYSA-N;143.21;2.03;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_C4";;;;;;;2.2;;-2.58;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM451963;MM451963;CNC1C(C)C(C#N)C1C;HPDCXDKCGQLJIS-UHFFFAOYSA-N;138.21;1;;;;;DOPC;MDCG;27;1;"MARTINI bead: SNd_SC5";;;;;;;1.64;;-2.1;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM451964;MM451964;CNCCCC=CC=NO;QAGIQVOYZOYWLJ-UHFFFAOYSA-N;142.2;1;;;;;DOPC;MDCG;27;1;"MARTINI bead: C5_P1";;;;;;;0.81;;-3.56;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM451965;MM451965;CCC1C(C)N(C=O)C1C;RCYVLJIHVGVDNM-UHFFFAOYSA-N;141.21;1.26;;;;;DOPC;MDCG;27;0;"MARTINI bead: SN0_SNda";;;;;;;1.17;;-1.13;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM451966;MM451966;CC=CC=CCCOCC;JSNYCHQHHLGRSF-UHFFFAOYSA-N;140.23;2.55;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_C1";;;;;;;3.68;;0.46;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM451967;MM451967;CC1C(CN)C(C)N1C=N;IYBMCOHRBFCGDB-UHFFFAOYSA-N;141.22;0.26;;;;;DOPC;MDCG;27;1;"MARTINI bead: SP2_SNd";;;;;;;-0.24;;-6.67;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM451968;MM451968;CC#CC1CN(NC)C1=O;JEBVRSYBNWFNLV-UHFFFAOYSA-N;138.17;-0.4;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP2_SN0";;;;;;;0.06;;-2.21;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM451969;MM451969;CC1C(CO)C(C)N1C=O;CKBKLSNPVMPHBZ-UHFFFAOYSA-N;143.19;-0.16;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP2_SNda";;;;;;;-0.24;;-3.31;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM451970;MM451970;CC=NN=CCCCCF;AGJDCCHLWIWDBO-UHFFFAOYSA-N;144.19;2.2;;;;;DOPC;MDCG;27;0;"MARTINI bead: C3_C4";;;;;;;3.9;;0.47;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM451971;MM451971;COC1C(C)N(C=O)C1C;FLIYJGCZAFPECV-UHFFFAOYSA-N;143.19;0.25;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP2_SNda";;;;;;;-0.24;;-3.31;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM451972;MM451972;CC=NN=CCCCOC;LVCQPOIFXNQQKM-UHFFFAOYSA-N;142.2;1.49;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_C3";;;;;;;2.57;;0.45;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM451973;MM451973;C#CC1C(N)C(CN)C1N;ISHDWMADBLSRMX-UHFFFAOYSA-N;139.2;-1.52;;;;;DOPC;MDCG;27;1;"MARTINI bead: SNd_SP2";;;;;;;-0.24;;-5.57;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM451974;MM451974;CC=NN=CCCOCC;DPHVBBSCCQUUJX-UHFFFAOYSA-N;142.2;1.49;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_C5";;;;;;;2.41;;0.64;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM451975;MM451975;C=CC1C(C)C(C=C)C1C;PNDCUSTURACVQC-UHFFFAOYSA-N;136.24;2.88;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC4_SC4";;;;;;;3.53;;0.53;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM451976;MM451976;CC=CC=CCNCCC;MVXVWQLHSVHOSN-UHFFFAOYSA-N;139.24;2.12;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_C1";;;;;;;2.91;;-0.34;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM451977;MM451977;C=CC1C(N)C(C=C)N1C;RXHHCVJBBQCNCX-UHFFFAOYSA-N;138.21;0.37;;;;;DOPC;MDCG;27;1;"MARTINI bead: SNd_SP2";;;;;;;-0.24;;-4.73;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM451978;MM451978;CC=CC=CCNCCN;MYZFUDUAYSUNJC-UHFFFAOYSA-N;140.23;0.67;;;;;DOPC;MDCG;27;1;"MARTINI bead: C1_P3";;;;;;;0.94;;-2.04;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM451979;MM451979;C=CC1C(C)N(C=O)C1C;IHHMQNVTIXBNMK-UHFFFAOYSA-N;139.2;1.04;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP1_SNda";;;;;;;0.04;;-2.73;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM451980;MM451980;CC=CC=CCOCCN;WEADHMUXZDPYAN-UHFFFAOYSA-N;141.21;1.09;;;;;DOPC;MDCG;27;1;"MARTINI bead: C1_P2";;;;;;;1.8;;-0.94;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM451981;MM451981;C#CC1C(C)N(C=O)C1C;HTKHQBOZUKLZQO-UHFFFAOYSA-N;137.18;0.48;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP2_SNda";;;;;;;-0.24;;-3.31;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM451982;MM451982;CC=CC=CCOCCO;VRGCOYSTBBFIAO-UHFFFAOYSA-N;142.2;1.13;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1_P2";;;;;;;1.8;;0.4;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM451983;MM451983;CCC1C(=O)N(CC)C1C;DZQUNRVMWXBTGY-UHFFFAOYSA-N;141.21;1.26;;;;;DOPC;MDCG;27;0;"MARTINI bead: SN0_SNda";;;;;;;1.17;;-1.13;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM451984;MM451984;CC=CC=CCOCOC;FQNRDWJPJYVGBI-UHFFFAOYSA-N;142.2;1.74;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_C1";;;;;;;2.08;;0.48;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM451985;MM451985;N#CC=C(N)NCC(=O)O;RBHPNTUZZOUTKH-UHFFFAOYSA-N;141.13;-1.02;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_P1";;;;;;;-0.79;;-9.1;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM451986;MM451986;CC=NN=CCOCCN;RSKVJICGBTZYSV-UHFFFAOYSA-N;143.19;0.04;;;;;DOPC;MDCG;27;1;"MARTINI bead: C5_P2";;;;;;;0.54;;-3.12;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM451987;MM451987;CCC1C(=O)C(C#N)C1C;NENGOZSZKJUDRX-UHFFFAOYSA-N;137.18;1.37;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC1_SNa";;;;;;;2.91;;0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM451988;MM451988;CC=NN=CCOCCO;ATPSFRBCFACALN-UHFFFAOYSA-N;144.17;0.07;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_P2";;;;;;;0.54;;-1.09;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM451989;MM451989;CC1C(C#N)C(=O)C1CF;AIWNONIMKJLUHC-UHFFFAOYSA-N;141.15;0.93;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC4_SNa";;;;;;;2.2;;0.34;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM451990;MM451990;CC=NN=CCOCOC;OUODWJZOBSWMML-UHFFFAOYSA-N;144.17;0.68;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_C5";;;;;;;0.81;;-0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM451991;MM451991;C=CC1C(=O)C(NC)C1C;KUSBIMLQPVWGMS-UHFFFAOYSA-N;139.2;0.6;;;;;DOPC;MDCG;27;1;"MARTINI bead: SNd_SNa";;;;;;;0.87;;-3.02;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM451992;MM451992;CCCCN=CC=CNO;XLHHIWROPOALOD-UHFFFAOYSA-N;142.2;1.35;;;;;DOPC;MDCG;27;1;"MARTINI bead: N0_Nda";;;;;;;1.17;;-4.7;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM451993;MM451993;CN=CN=CNCCCN;KHWDMDLRTZHQHL-UHFFFAOYSA-N;142.21;-0.39;;;;;DOPC;MDCG;27;1;"MARTINI bead: N0_P3";;;;;;;-0.8;;-4.91;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM451994;MM451994;COC1C(=O)C(C#N)C1C;KGTQIESFITWACT-UHFFFAOYSA-N;139.15;0.36;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNa_SNa";;;;;;;0.87;;-2.22;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM451995;MM451995;CC(C)(C)C(C)(C)O;OKXVARYIKDXAEO-UHFFFAOYSA-N;116.2;1.8;;;;;DOPC;MDCG;27;0;"MARTINI bead: C3_Nda";;;;;;;2.57;;0.44;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM451996;MM451996;C#CC1C(=O)C(CC)C1C;GABDWTZYENRGKL-UHFFFAOYSA-N;136.19;1.48;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC2_SNa";;;;;;;2.83;;0.35;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM451997;MM451997;Cc1nnc(N)n1N;UHOFPBXQUTZOKZ-UHFFFAOYSA-N;113.12;-1.12;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP1_SP3";;;;;;;-1.93;;-4.72;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM451998;MM451998;C#CC1C(=O)C(CO)C1C;VWUMKQPZSHPACS-UHFFFAOYSA-N;138.17;0.06;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNda_SNa";;;;;;;0.87;;-1.99;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM451999;MM451999;CC1=NNC(C)(C#N)C1;JIFFLPWAALVAPD-UHFFFAOYSA-N;123.16;0.64;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP1_SNd";;;;;;;0.04;;-2.63;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM452000;MM452000;C#CC1C(=O)C(NC)C1C;OGNIEBBUBLMAAJ-UHFFFAOYSA-N;137.18;0.04;;;;;DOPC;MDCG;27;1;"MARTINI bead: SNd_SNa";;;;;;;0.87;;-2.93;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM452001;MM452001;CC=NNC=NCCNC;MFPGYOODHCVYCV-UHFFFAOYSA-N;142.21;-0.17;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1_Nd";;;;;;;0.04;;-4.09;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM452002;MM452002;C#CC1C(=O)C(OC)C1C;ABMLPSCUIZAKSD-UHFFFAOYSA-N;138.17;0.47;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNa_SNa";;;;;;;0.87;;-2.22;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM452003;MM452003;C#CC1C(=O)N(CC)C1C;QLFNFGQZHXUFFE-UHFFFAOYSA-N;137.18;0.49;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNda_SP2";;;;;;;-0.24;;-3.31;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM452004;MM452004;OCCNNC=NC=NO;DZCYURBGTZJJOP-UHFFFAOYSA-N;146.15;-1.48;;;;;DOPC;MDCG;27;0;"MARTINI bead: P5_P3";;;;;;;-3.08;;-7.6;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM452005;MM452005;C=NNCCC(C#N)=CC;BLOUSMKTRCDUFW-UHFFFAOYSA-N;137.19;1.05;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_P2";;;;;;;0.54;;-1.09;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM452006;MM452006;N#CCNNC(=N)C#N;SWLKNIMBQHLFOR-UHFFFAOYSA-N;123.12;-0.89;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_P3";;;;;;;-1.93;;-4.72;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM452007;MM452007;C=CC1C(=O)C(C=C)C1C;WRDCSKHREKKNMM-UHFFFAOYSA-N;136.19;1.81;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNa_SC4";;;;;;;2.2;;0.34;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM452008;MM452008;NCCON=CN=CNO;RBFQCUIRKFKQLB-UHFFFAOYSA-N;146.15;-1.09;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1_P3";;;;;;;-1.93;;-6.17;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM452009;MM452009;C=CC1C(=O)C(C#N)C1C;YICYEAYLJSTUFD-UHFFFAOYSA-N;135.17;1.15;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC4_SNa";;;;;;;2.2;;0.34;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM452010;MM452010;Cc1cc(NN)nn1C;FCDWUDNHLWPUGZ-UHFFFAOYSA-N;126.16;0.01;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP1_SNa";;;;;;;0.04;;-2.54;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM452011;MM452011;O=CCC(=NO)C(F)(F)F;WGZRINJMZAUMKN-UHFFFAOYSA-N;155.08;0.97;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_N0";;;;;;;0.34;;-7.43;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM452012;MM452012;OCCON=CNC=NO;GPWDIEIHEZSUEX-UHFFFAOYSA-N;147.13;-1.05;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_P3";;;;;;;-2.2;;-5.19;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM452013;MM452013;C=C(OC(C)C#N)C(=O)O;ICWPEBSVNFQJRO-UHFFFAOYSA-N;141.13;0.51;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_P1";;;;;;;0.81;;-6.28;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM452014;MM452014;Cc1c(N)c[nH]c1N=N;FDCFNBJCZJRGEB-UHFFFAOYSA-N;124.15;1.57;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNd_SP1";;;;;;;0.04;;-2.63;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM452015;MM452015;C#CC1C(=O)C(C=C)C1C;WSWUGXOJOAAUDW-UHFFFAOYSA-N;134.18;1.26;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC4_SNa";;;;;;;2.2;;0.34;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM452016;MM452016;C=Cc1onc(C)c1N;SLPVIJVPXFVHAG-UHFFFAOYSA-N;124.14;1.21;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNda_SN0";;;;;;;1.17;;-1.13;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM452017;MM452017;C=NNCCC1(C#N)CN1;KJIMMYGXKFUBEH-UHFFFAOYSA-N;138.17;-0.55;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_SP1";;;;;;;-1.06;;-3.82;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM452018;MM452018;CC=NN=CNOCCN;YRADVQHEQCBSHH-UHFFFAOYSA-N;144.18;-0.5;;;;;DOPC;MDCG;27;1;"MARTINI bead: C5_P3";;;;;;;-0.33;;-3.08;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM452019;MM452019;C=NN1CC1CC#CC#N;UVPCLEMZWQGMSJ-UHFFFAOYSA-N;133.15;0.2;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP2_N0";;;;;;;0.06;;-2.21;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM452020;MM452020;N=CN(C=N)N=CCF;QINLAOOLSDYVIL-UHFFFAOYSA-N;130.13;0.46;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_P3";;;;;;;-0.33;;-2.01;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM452021;MM452021;C#CC1C(=O)C(C#C)C1C;AFKXGHJKJFYOQF-UHFFFAOYSA-N;132.16;0.7;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC4_SNa";;;;;;;2.2;;0.34;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM452022;MM452022;C=NN=CC(C)=CC(C)=O;YNVSRQZXOLPGLK-UHFFFAOYSA-N;138.17;1.21;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_C4";;;;;;;1.37;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM452023;MM452023;C#CC1C(=O)C(C#C)C1O;SAVWWYYWBZIING-UHFFFAOYSA-N;134.13;-0.57;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNda_SNa";;;;;;;0.87;;-1.99;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM452024;MM452024;CCCCNN=CC=CF;VFNHGKWUPBSTDH-UHFFFAOYSA-N;144.19;1.85;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nd_C4";;;;;;;2.2;;0.32;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM452025;MM452025;CCC1CCC(CC)CC1;SMAKEJNOUFLEEJ-UHFFFAOYSA-N;140.27;3.61;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC1_SC1";;;;;;;4.95;;0.69;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM452026;MM452026;C=C(C)C(=O)CN(C)C=O;UTVIOCFSXYQLJY-UHFFFAOYSA-N;141.17;0.22;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_Na";;;;;;;-0.24;;-3.24;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM452027;MM452027;CCC1CCC(CN)CC1;NYZHAHHOBPMFSC-UHFFFAOYSA-N;141.26;2.16;;;;;DOPC;MDCG;27;1;"MARTINI bead: SC1_SC5";;;;;;;3.68;;0.56;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM452028;MM452028;NCCCNN=CC=NO;BUWFLAVLUWJKLK-UHFFFAOYSA-N;144.18;-0.63;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1_P1";;;;;;;-0.79;;-5.46;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM452029;MM452029;N=C(N)C(=O)C=O;RMKZCXPJCOUNRA-UHFFFAOYSA-N;100.08;-1.31;;;;;DOPC;MDCG;27;0;"MARTINI bead: P3_Na";;;;;;;-1.1;;-4.2;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM452030;MM452030;ON=CC=NNCCCF;AEOGCZMOQOKRIM-UHFFFAOYSA-N;147.15;0.38;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_C5";;;;;;;0.54;;-1.09;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM452031;MM452031;FCC1CCC(CF)CC1;ILPRSAXRZZZEQI-UHFFFAOYSA-N;148.2;2.73;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC3_SC3";;;;;;;4.27;;0.2;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM452032;MM452032;CC=CC=COCCCC;JJQLULMAEMSYPX-UHFFFAOYSA-N;140.23;2.89;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_C1";;;;;;;2.91;;0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM452033;MM452033;CCC1CCC(NC)CC1;QMMUYVTYTBICLS-UHFFFAOYSA-N;141.26;2.17;;;;;DOPC;MDCG;27;1;"MARTINI bead: SC1_SC5";;;;;;;3.68;;0.47;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM452034;MM452034;NCCCOC=CC=NO;PUKXPISAGOOYNL-UHFFFAOYSA-N;144.17;0.33;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1_Nda";;;;;;;0.04;;-6.13;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM452035;MM452035;CNC1CCC(CN)CC1;XUPSMIZZJMVSRK-UHFFFAOYSA-N;142.25;0.72;;;;;DOPC;MDCG;27;1;"MARTINI bead: SC5_SC5";;;;;;;2.41;;-1.07;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM452036;MM452036;CNC1CCC(NC)CC1;XDCMXOFKBHKHGP-UHFFFAOYSA-N;142.25;0.74;;;;;DOPC;MDCG;27;1;"MARTINI bead: SC5_SC5";;;;;;;2.41;;-1.25;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM452037;MM452037;CC=CC=COCCNC;HRNBDFPKXREJCX-UHFFFAOYSA-N;141.21;1.31;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_C5";;;;;;;1.64;;-2.2;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM452038;MM452038;CC=CC=COCCOC;SXEJXBOUDNQENT-UHFFFAOYSA-N;142.2;1.74;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_C5";;;;;;;1.64;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM452039;MM452039;CCC1CCC(CN)NC1;DRYZQSDSJSJZKG-UHFFFAOYSA-N;142.25;0.72;;;;;DOPC;MDCG;27;1;"MARTINI bead: SC5_SP1";;;;;;;0.81;;-3.27;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM452040;MM452040;CC=CC=COCOCC;UWFMNCFMHGXJOT-UHFFFAOYSA-N;142.2;2.09;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_C5";;;;;;;1.64;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM452041;MM452041;NCC1CCC(CO)NC1;WATQDJVSJYMYMF-UHFFFAOYSA-N;144.22;-0.69;;;;;DOPC;MDCG;27;1;"MARTINI bead: SP1_SNda";;;;;;;0.04;;-5.37;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM452042;MM452042;CCOCOC=CC=NN;MVZUTUHBZRWSNF-UHFFFAOYSA-N;144.17;0.46;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_Nd";;;;;;;0.87;;-1.88;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM452043;MM452043;CCC1CCC(CF)CN1;UYMLNHQMHOPPKN-UHFFFAOYSA-N;145.22;1.73;;;;;DOPC;MDCG;27;1;"MARTINI bead: SC5_SNa";;;;;;;1.64;;-2.87;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM452044;MM452044;CC=NN=COCCCC;ZPEFDDPPPZEZQE-UHFFFAOYSA-N;142.2;1.84;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_C5";;;;;;;1.64;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM452045;MM452045;CCC1CCC(NC)CN1;UWBOTDHQWSFWSK-UHFFFAOYSA-N;142.25;0.74;;;;;DOPC;MDCG;27;1;"MARTINI bead: SC5_SP1";;;;;;;0.81;;-3.09;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM452046;MM452046;CC=NN=COCCCN;YYCYOHZCEXQLEE-UHFFFAOYSA-N;143.19;0.39;;;;;DOPC;MDCG;27;1;"MARTINI bead: C5_P2";;;;;;;0.54;;-3.8;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM452047;MM452047;CNC1CCC(CO)NC1;FKPXJRMUUWMPPZ-UHFFFAOYSA-N;144.22;-0.68;;;;;DOPC;MDCG;27;1;"MARTINI bead: SP1_SNda";;;;;;;0.04;;-5.09;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM452048;MM452048;CC=NN=COCCCO;BDXLHYQXWBZUPB-UHFFFAOYSA-N;144.17;0.42;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_P1";;;;;;;0.81;;-0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM452049;MM452049;CCC1CCC(CN)CO1;DDUUWNPWIYNUBN-UHFFFAOYSA-N;143.23;1.15;;;;;DOPC;MDCG;27;1;"MARTINI bead: SC4_SP1";;;;;;;1.37;;-2.67;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM452050;MM452050;CC=NN=COCCOC;AZIJSGFPOKDGSH-UHFFFAOYSA-N;144.17;0.68;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_Na";;;;;;;0.87;;-2.22;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM452051;MM452051;CCC1CCC(CO)CO1;MVPZERAOAPQXHL-UHFFFAOYSA-N;144.21;1.18;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC4_SNda";;;;;;;2.2;;0.49;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM452052;MM452052;CC=NN=COCOCC;OPXCNRCLKBRDRV-UHFFFAOYSA-N;144.17;1.03;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_Na";;;;;;;0.87;;-2.22;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM452053;MM452053;OCC1CCC(CO)OC1;BEGOUGVLNFUKGK-UHFFFAOYSA-N;146.19;-0.23;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNda_SNda";;;;;;;0.87;;-2.07;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM452054;MM452054;CC=CC=NOCCCC;RUVWQOYQQQPTRX-UHFFFAOYSA-N;141.21;2.37;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1_Na";;;;;;;2.91;;0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM452055;MM452055;OCC1CCC(CF)OC1;YICFMHPXKOYSHG-UHFFFAOYSA-N;148.18;0.74;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNda_SNa";;;;;;;0.87;;-1.99;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM452056;MM452056;ON=CC=NOCCCF;CSDUIWDITWHZAE-UHFFFAOYSA-N;148.14;0.81;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_Na";;;;;;;0.04;;-2.54;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM452057;MM452057;CCC1CCC(CF)CO1;JGTJMUIXMXORMO-UHFFFAOYSA-N;146.21;2.16;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC4_SNa";;;;;;;2.2;;0.34;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM452058;MM452058;CC=CC=NOCCNC;AKNXGNVWHZPBPF-UHFFFAOYSA-N;142.2;0.78;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_Na";;;;;;;0.87;;-3.27;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM452059;MM452059;NCC1CCC(CF)CO1;HSCGYBMNZSGPRL-UHFFFAOYSA-N;147.19;0.71;;;;;DOPC;MDCG;27;1;"MARTINI bead: SNda_SNa";;;;;;;0.87;;-4.07;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM452060;MM452060;CC=CC=NOCCOC;XEALFSZCLNDIPE-UHFFFAOYSA-N;143.19;1.21;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_Na";;;;;;;0.87;;-2.22;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM452061;MM452061;OCC1CCC(CF)CO1;VKZVNCLMWBJSKG-UHFFFAOYSA-N;148.18;0.74;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNda_SNa";;;;;;;0.87;;-1.99;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM452062;MM452062;CC=CC=CCCCC=O;XBRSZJRHOMYFTA-UHFFFAOYSA-N;138.21;2.49;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1_C5";;;;;;;3.68;;0.46;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM452063;MM452063;CCC1COC(CC)OC1;CPTMLJPJSZGVGK-UHFFFAOYSA-N;144.21;1.8;;;;;DOPC;MDCG;27;0;"MARTINI bead: SN0_SNa";;;;;;;1.17;;-1.18;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM452064;MM452064;CCC1CNC(CN)CN1;LPWFNONZRQBELE-UHFFFAOYSA-N;143.23;-0.71;;;;;DOPC;MDCG;27;1;"MARTINI bead: SP1_SP3";;;;;;;-1.93;;-6.73;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM452065;MM452065;O=CCCCC=CC=CF;BHBLFZCSARWGKU-UHFFFAOYSA-N;142.17;2.4;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4_C5";;;;;;;2.97;;0.45;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM452066;MM452066;CC=CC=CCCNC=N;BNWULNUWBGWSJK-UHFFFAOYSA-N;138.21;1.71;;;;;DOPC;MDCG;27;1;"MARTINI bead: C1_P2";;;;;;;1.8;;-3.22;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM452067;MM452067;CCC1CNC(CN)CO1;NJJMCMKAYIMIQZ-UHFFFAOYSA-N;144.22;-0.29;;;;;DOPC;MDCG;27;1;"MARTINI bead: SNa_SP2";;;;;;;-0.24;;-5.19;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM452068;MM452068;C=NNCCC=CC=CC;KGSHMLVAZUOKAU-UHFFFAOYSA-N;138.21;1.71;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1_P2";;;;;;;1.8;;0.41;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM452069;MM452069;NCC1COC(CO)CO1;VWGFGDPYFUKYOC-UHFFFAOYSA-N;147.17;-1.28;;;;;DOPC;MDCG;27;1;"MARTINI bead: SP2_SP1";;;;;;;-1.06;;-5.82;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM452070;MM452070;C=NNCCC=CC=CF;UCNKTOOYQOVKPN-UHFFFAOYSA-N;142.18;1.62;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1_P2";;;;;;;1.8;;0.4;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM452071;MM452071;CCC1CCN(CC)CC1;CKNFDJGHXOYYMR-UHFFFAOYSA-N;141.26;2.13;;;;;DOPC;MDCG;27;1;"MARTINI bead: SC5_SC5";;;;;;;2.41;;-0.19;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM452072;MM452072;CC=CC=CCCOC=O;YNJKFDJEVZJEMF-UHFFFAOYSA-N;140.18;1.68;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1_Na";;;;;;;2.91;;0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM452073;MM452073;CCN1CCC(CN)CC1;ZLODGCYXZYPQKQ-UHFFFAOYSA-N;142.25;0.68;;;;;DOPC;MDCG;27;1;"MARTINI bead: SC5_SP1";;;;;;;0.81;;-3.43;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM452074;MM452074;O=COCCC=CC=CF;CHLYVDQFFBALMN-UHFFFAOYSA-N;144.15;1.59;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4_Na";;;;;;;2.2;;0.34;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM452075;MM452075;CCN1CCC(CO)CC1;FLOQYJOORROJQU-UHFFFAOYSA-N;143.23;0.71;;;;;DOPC;MDCG;27;1;"MARTINI bead: SC5_SNda";;;;;;;1.64;;-1.86;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM452076;MM452076;C=NOCCC=CC=CC;YDUGELWLNAEISO-UHFFFAOYSA-N;139.2;2.14;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1_P1";;;;;;;2.08;;0.48;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM452077;MM452077;CCN1CCC(CF)CC1;HWABEXKIKFMOTN-UHFFFAOYSA-N;145.22;1.69;;;;;DOPC;MDCG;27;1;"MARTINI bead: SC5_SNa";;;;;;;1.64;;-2.04;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM452078;MM452078;C=CCCCC=NN=CC;JBXOKIWGSHLHIQ-UHFFFAOYSA-N;138.21;2.42;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_C1";;;;;;;3.68;;0.46;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM452079;MM452079;CCN1CCC(NC)CC1;FYPFTVGAZOKJRE-UHFFFAOYSA-N;142.25;0.69;;;;;DOPC;MDCG;27;1;"MARTINI bead: SC5_SP1";;;;;;;0.81;;-3.4;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM452080;MM452080;CC=NN=CCCNC=N;DXHRTZRWFTXGFP-UHFFFAOYSA-N;140.19;0.65;;;;;DOPC;MDCG;27;1;"MARTINI bead: C3_P3";;;;;;;0.6;;-4.75;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM452081;MM452081;CCN1CCN(CC)CC1;DDPRYTUJYNYJKV-UHFFFAOYSA-N;142.25;0.64;;;;;DOPC;MDCG;27;1;"MARTINI bead: SP1_SP1";;;;;;;-0.79;;-4.32;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM452082;MM452082;C=NNC(C=C(C)C)=NC;JYZJMXKVWKMPLV-UHFFFAOYSA-N;139.2;1.19;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_C4";;;;;;;1.37;;-0.05;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM452083;MM452083;C=CC1CCC(CN)CC1;BENMVQQZNXWYAL-UHFFFAOYSA-N;139.24;1.94;;;;;DOPC;MDCG;27;1;"MARTINI bead: SC5_SC1";;;;;;;3.68;;0.56;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM452084;MM452084;C=C(C)C(C)=NNC=NC;FPOARHYNCZWVKL-UHFFFAOYSA-N;139.2;1.19;;;;;DOPC;MDCG;27;0;"MARTINI bead: P3_C1";;;;;;;0.94;;0.04;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM452085;MM452085;C=CC1CCC(NC)CC1;RUMANLCDDCKNCI-UHFFFAOYSA-N;139.24;1.95;;;;;DOPC;MDCG;27;1;"MARTINI bead: SC5_SC1";;;;;;;3.68;;0.47;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM452086;MM452086;Nc1cc(=O)on(N)c1=O;TVOMCTGRMNYVRW-UHFFFAOYSA-N;143.1;-1.9;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP2_SP2";;;;;;;-1.34;;-4.31;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM452087;MM452087;COC1CCC(C=O)CC1;YRBWGQDHNJVXSO-UHFFFAOYSA-N;142.2;1.39;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC4_SC5";;;;;;;2.97;;0.45;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM452088;MM452088;CC1(C#N)C=CC(C=O)N1;DVJLNCVRARELPL-UHFFFAOYSA-N;136.15;;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP1_SP2";;;;;;;-1.06;;-3.82;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM452089;MM452089;C=CC1CCC(CC)CN1;FEUBAHONWZGYDG-UHFFFAOYSA-N;139.24;1.95;;;;;DOPC;MDCG;27;1;"MARTINI bead: SC5_SNd";;;;;;;1.64;;-2.39;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM452090;MM452090;CC=NN=CCNCC#N;JNSNPZQTNVFUSC-UHFFFAOYSA-N;138.17;0.18;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_P2";;;;;;;0.54;;-1.09;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM452091;MM452091;C=CC1CCC(CC)CO1;BRZKMVLKFIQGRN-UHFFFAOYSA-N;140.23;2.38;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC4_SC5";;;;;;;2.97;;0.45;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM452092;MM452092;CC=NN=CCNNC=N;IOXFPKXFFXCZHY-UHFFFAOYSA-N;141.18;-0.24;;;;;DOPC;MDCG;27;1;"MARTINI bead: C5_P4";;;;;;;-0.41;;-5.57;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM452093;MM452093;C=CC1CCC(CN)CO1;VNDZIIXANAFLMW-UHFFFAOYSA-N;141.21;0.93;;;;;DOPC;MDCG;27;1;"MARTINI bead: SP1_SC5";;;;;;;0.81;;-3.22;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM452094;MM452094;CC=NN=CCNNC=O;XBZLGQCJHJFMQE-UHFFFAOYSA-N;142.16;-0.69;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nd_P2";;;;;;;-0.24;;-3.16;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM452095;MM452095;C=CC1CCC(CO)CO1;YWBPTJNHQZNQRQ-UHFFFAOYSA-N;142.2;0.96;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNda_SC5";;;;;;;1.64;;0.05;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM452096;MM452096;C=CCOCC=CC=CF;HVYCWAWDRTZRQF-UHFFFAOYSA-N;142.17;2.23;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4_C5";;;;;;;2.97;;0.45;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM452097;MM452097;O=CC1CCC(CF)CO1;LPLOGCDVONTRPS-UHFFFAOYSA-N;146.16;0.95;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNa_SNa";;;;;;;0.87;;-2.22;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM452098;MM452098;CC=CC=CCOCC#N;REWATMILHRTRCO-UHFFFAOYSA-N;137.18;1.66;;;;;DOPC;MDCG;27;0;"MARTINI bead: C2_Na";;;;;;;2.83;;0.35;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM452099;MM452099;C=CC1CCC(NC)CO1;YTCIQTRLZXHJHT-UHFFFAOYSA-N;141.21;0.94;;;;;DOPC;MDCG;27;1;"MARTINI bead: SNd_SC5";;;;;;;1.64;;-2.34;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM452100;MM452100;C=CCOCC=CC=NN;CSPBWHOYPDRCPG-UHFFFAOYSA-N;140.19;0.69;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nd_Na";;;;;;;0.87;;-1.88;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM452101;MM452101;C=CC1OCC(CC)CO1;UFMUILSQDWBHIG-UHFFFAOYSA-N;142.2;1.57;;;;;DOPC;MDCG;27;0;"MARTINI bead: SN0_SNa";;;;;;;1.17;;-1.18;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM452102;MM452102;O=CCOCC=CC=NO;NQFWZASFXCBAJJ-UHFFFAOYSA-N;143.14;0.22;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda_P2";;;;;;;-0.24;;-3.31;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM452103;MM452103;CCC1COC(C=O)OC1;JIOIQPKNCFMJKS-UHFFFAOYSA-N;144.17;0.58;;;;;DOPC;MDCG;27;0;"MARTINI bead: SN0_SP1";;;;;;;0.34;;-1.53;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM452104;MM452104;CC=CC=CCONC=O;YXOBFOBOBIEBLL-UHFFFAOYSA-N;141.17;0.8;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1_P4";;;;;;;0.85;;-0.64;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM452105;MM452105;C=CC1OCC(CN)CO1;JZZGKCVZEVDYGG-UHFFFAOYSA-N;143.19;0.12;;;;;DOPC;MDCG;27;1;"MARTINI bead: SP2_SNa";;;;;;;-0.24;;-5.89;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM452106;MM452106;C=CCOCC=NN=CC;LMLVTCZAMXYQIX-UHFFFAOYSA-N;140.19;1.27;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_Na";;;;;;;1.64;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM452107;MM452107;O=CC1OCC(CO)CO1;PINOYHKNSVHZAK-UHFFFAOYSA-N;146.14;-0.83;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP1_SP1";;;;;;;-0.79;;-3.13;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM452108;MM452108;CC1(C=O)CC(CF)=NN1;KMPDMFJWRLVMBP-UHFFFAOYSA-N;144.15;0.26;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNda_SP1";;;;;;;0.04;;-2.73;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM452109;MM452109;CCC1CCC(C=O)CN1;LAFYUUFUWGMNMD-UHFFFAOYSA-N;141.21;0.96;;;;;DOPC;MDCG;27;1;"MARTINI bead: SC5_SP1";;;;;;;0.81;;-3.07;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM452110;MM452110;CNC(C#N)C=CC(C)=O;SIWLTAUOBFSVNJ-UHFFFAOYSA-N;138.17;0.24;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_Na";;;;;;;-0.24;;-3.24;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM452111;MM452111;C=CC1CCC(CN)NC1;LZTBIBFAQZXYRL-UHFFFAOYSA-N;140.23;0.5;;;;;DOPC;MDCG;27;1;"MARTINI bead: SP1_SN0";;;;;;;0.34;;-4.25;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM452112;MM452112;C=CCCNC=NC=NC;AHRDWQVGMXGOAQ-UHFFFAOYSA-N;139.2;0.84;;;;;DOPC;MDCG;27;1;"MARTINI bead: N0_Nd";;;;;;;1.17;;-2.19;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM452113;MM452113;C=CC1CCC(CO)NC1;ZBFZYDUHFBLNCC-UHFFFAOYSA-N;141.21;0.53;;;;;DOPC;MDCG;27;1;"MARTINI bead: SNda_SN0";;;;;;;1.17;;-3.61;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM452114;MM452114;C=CCCNC=NC=NO;IMCLMGCXOUJVSS-UHFFFAOYSA-N;141.17;0.6;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_Nd";;;;;;;0.04;;-2.63;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM452115;MM452115;CCC1CCC(C=O)CO1;WSXBAUWEDQTHTN-UHFFFAOYSA-N;142.2;1.39;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC4_SNa";;;;;;;2.2;;0.34;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM452116;MM452116;C=CC(C)=NNC=NCC;UEZMMPUEJIWAKH-UHFFFAOYSA-N;139.2;1.19;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nd_N0";;;;;;;1.17;;-1.04;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM452117;MM452117;C=CC1COC(CC)OC1;SYYKLDOGFQTXJH-UHFFFAOYSA-N;142.2;1.57;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNa_SN0";;;;;;;1.17;;-1.18;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM452118;MM452118;N#CC#CC1CN(C=O)C1;JHOVDCYAJGDZRC-UHFFFAOYSA-N;134.14;-0.4;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP1_SP1";;;;;;;-0.79;;-3.13;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM452119;MM452119;CCC1CCN(C=N)CC1;NBGZNGHBKPXTMH-UHFFFAOYSA-N;140.23;1.72;;;;;DOPC;MDCG;27;1;"MARTINI bead: SC5_SNd";;;;;;;1.64;;-4.17;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM452120;MM452120;C=CCNNC=NC=NO;JYVACNJIKHZLAM-UHFFFAOYSA-N;142.16;-0.29;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_P2";;;;;;;-1.06;;-3.82;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM452121;MM452121;CCC1CCN(C=O)CC1;QGCKNCZZQDELAD-UHFFFAOYSA-N;141.21;1.26;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC5_SNda";;;;;;;1.64;;0.05;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM452122;MM452122;C=CC(C#N)NN=CCC;LFIAIXZHKZDAHX-UHFFFAOYSA-N;137.19;1.05;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nd_N0";;;;;;;1.17;;-1.04;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM452123;MM452123;N=CN1CCC(CN)CC1;DDRXSSOCZUOECP-UHFFFAOYSA-N;141.22;0.26;;;;;DOPC;MDCG;27;1;"MARTINI bead: SP1_SNd";;;;;;;0.04;;-6.87;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM452124;MM452124;C=CCCNN=CC=CF;DEJJRQXAVGZGPU-UHFFFAOYSA-N;142.18;1.62;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4_P1";;;;;;;1.37;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM452125;MM452125;NCC1CCN(C=O)CC1;HFZFAVKGYVXFLQ-UHFFFAOYSA-N;142.2;-0.19;;;;;DOPC;MDCG;27;1;"MARTINI bead: SP1_SNda";;;;;;;0.04;;-5.23;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM452126;MM452126;O=CCCOC=CC=NO;IUBKCLUSSQOXTE-UHFFFAOYSA-N;143.14;0.57;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_Na";;;;;;;0.04;;-2.54;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM452127;MM452127;N=CN1CCC(CO)CC1;VIDQTJTVQFNJTC-UHFFFAOYSA-N;142.2;0.3;;;;;DOPC;MDCG;27;1;"MARTINI bead: SNda_SNd";;;;;;;0.87;;-6.17;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM452128;MM452128;C=COCOC=CC=NN;SEHGXIPAMTZNLI-UHFFFAOYSA-N;142.16;0.58;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_C5";;;;;;;0.81;;-0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM452129;MM452129;O=CN1CCC(CO)CC1;YODDVECJLGSPDW-UHFFFAOYSA-N;143.19;-0.15;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNda_SNda";;;;;;;0.87;;-2.07;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM452130;MM452130;C=COCOC=CC=NO;POWKYNNDMQUVDF-UHFFFAOYSA-N;143.14;1.09;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_C5";;;;;;;0.81;;-0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM452131;MM452131;C=NN1CCC(CC)CC1;JZJSSFNOJURQLN-UHFFFAOYSA-N;140.23;1.72;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC5_SN0";;;;;;;1.94;;0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM452132;MM452132;C=NN1CCC(CN)CC1;FSUHZKZQNWWUMS-UHFFFAOYSA-N;141.22;0.27;;;;;DOPC;MDCG;27;1;"MARTINI bead: SP1_SN0";;;;;;;0.34;;-4.34;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM452133;MM452133;CC=NN=COCCC=O;FUQVLSJVKIVJER-UHFFFAOYSA-N;142.16;0.63;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_Na";;;;;;;0.87;;-2.22;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM452134;MM452134;Cn1cnnc1N;UQUDZKOREXYFDJ-UHFFFAOYSA-N;98.11;-0.6;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP2_SP2";;;;;;;-1.34;;-4.31;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM452135;MM452135;C=COCOC=NN=CC;PDXFRFGQYSQOPY-UHFFFAOYSA-N;142.16;1.15;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_P1";;;;;;;0.81;;-0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM452136;MM452136;C=NN1CCC(CF)CC1;WXYVEKXYDKWCJM-UHFFFAOYSA-N;144.19;1.28;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNa_SN0";;;;;;;1.17;;-1.18;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM452137;MM452137;CC=NN=COCOC=O;YBQDHGGNGWANBT-UHFFFAOYSA-N;144.13;0.17;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_P2";;;;;;;0.54;;-1.09;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM452138;MM452138;CNC1CCN(C=N)CC1;MZSHSNKMCMRCTE-UHFFFAOYSA-N;141.22;0.28;;;;;DOPC;MDCG;27;1;"MARTINI bead: SP1_SNd";;;;;;;0.04;;-6.82;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM452139;MM452139;C=NOCOC=NN=CC;YJPNZXYRSDOBBX-UHFFFAOYSA-N;143.15;0.63;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_P1";;;;;;;0.81;;-0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM452140;MM452140;CNC1CCN(C=O)CC1;PUBYMSRNXKFNHC-UHFFFAOYSA-N;142.2;-0.17;;;;;DOPC;MDCG;27;1;"MARTINI bead: SP1_SNda";;;;;;;0.04;;-5.67;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM452141;MM452141;NC=CC=NOCOC=O;LJAWHDZPLWXRCU-UHFFFAOYSA-N;144.13;-0.41;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nd_P2";;;;;;;-0.24;;-3.16;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM452142;MM452142;C=NN1CCC(NC)CC1;SJFSRHODZMMWND-UHFFFAOYSA-N;141.22;0.29;;;;;DOPC;MDCG;27;1;"MARTINI bead: SP1_SN0";;;;;;;0.34;;-4.4;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM452143;MM452143;O=COCON=CC=NO;SSJMVOQVLSWWIW-UHFFFAOYSA-N;146.1;-0.42;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_P1";;;;;;;-0.79;;-3.13;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM452144;MM452144;C#CCCCC=CC=CC;LAXYOWAGRGQBTM-UHFFFAOYSA-N;134.22;2.92;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1_C3";;;;;;;4.61;;0.31;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM452145;MM452145;COC1CCN(C=N)CC1;RXOXWZDTTQRPFA-UHFFFAOYSA-N;142.2;0.7;;;;;DOPC;MDCG;27;1;"MARTINI bead: SNa_SNd";;;;;;;0.87;;-6.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM452146;MM452146;C#CCOCC=NN=CC;LICVKXVNMNOOGR-UHFFFAOYSA-N;138.17;0.71;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_Na";;;;;;;1.64;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM452147;MM452147;COC1CCN(C=O)CC1;MLMQSMQEBVEZEX-UHFFFAOYSA-N;143.19;0.25;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNa_SNda";;;;;;;0.87;;-1.99;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM452148;MM452148;C=Nn1ccc(NCC)n1;REJLKWXFXRROGQ-UHFFFAOYSA-N;138.17;0.78;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNd_SP1";;;;;;;0.04;;-2.63;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM452149;MM452149;C=NOC(=N)NNC;NIKGCJCQAFJARV-UHFFFAOYSA-N;116.12;-0.72;;;;;DOPC;MDCG;27;0;"MARTINI bead: P3_P1";;;;;;;-1.93;;-4.72;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM452150;MM452150;C#CCCOC=NN=CC;UQIPFRQQLLCFQB-UHFFFAOYSA-N;138.17;1.06;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_Na";;;;;;;1.64;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM452151;MM452151;COC1CCN(C=N)NC1;XLFIZOHQKVRLDA-UHFFFAOYSA-N;143.19;-0.18;;;;;DOPC;MDCG;27;1;"MARTINI bead: SP2_SP2";;;;;;;-1.34;;-6.79;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM452152;MM452152;CC#CC=CCCCOC;UFRWAKZFUJJFOP-UHFFFAOYSA-N;138.21;1.99;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_C1";;;;;;;2.91;;0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM452153;MM452153;N=CN1CCC(CN)CO1;NVKKJMYPIYDWEL-UHFFFAOYSA-N;143.19;-0.19;;;;;DOPC;MDCG;27;1;"MARTINI bead: SP2_SP1";;;;;;;-1.06;;-6.27;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM452154;MM452154;COC1CCN(C=N)OC1;JUYKIUAYFLUNNH-UHFFFAOYSA-N;144.17;0.25;;;;;DOPC;MDCG;27;1;"MARTINI bead: SP1_SP1";;;;;;;-0.79;;-4.14;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM452155;MM452155;CC#CC=CCCOCC;ALNUHPQNJAVWCI-UHFFFAOYSA-N;138.21;1.99;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_C4";;;;;;;2.97;;0.45;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM452156;MM452156;COC1CCN(C=O)OC1;RRSRMMHPAFJZKV-UHFFFAOYSA-N;145.16;-0.2;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP1_SP1";;;;;;;-0.79;;-3.13;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM452157;MM452157;CC#CC=CCOCCC;BKKLLDNRGIMTMI-UHFFFAOYSA-N;138.21;1.99;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_C1";;;;;;;2.91;;0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM452158;MM452158;C=CC1CCN(CC)CC1;AMDNRULCZVCJNA-UHFFFAOYSA-N;139.24;1.9;;;;;DOPC;MDCG;27;1;"MARTINI bead: SC5_SN0";;;;;;;1.94;;-1.32;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM452159;MM452159;CC#CC=CCOCCO;XDUUGWKFPFFMHZ-UHFFFAOYSA-N;140.18;0.57;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4_P1";;;;;;;1.37;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM452160;MM452160;CC#CC=NNCCNC;PYUHIBVBIHHADG-UHFFFAOYSA-N;139.2;-0.2;;;;;DOPC;MDCG;27;1;"MARTINI bead: P3_C4";;;;;;;0.23;;-2.69;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM452161;MM452161;CCN1CCC(C=O)CC1;CJWYRHTUDJMLSU-UHFFFAOYSA-N;141.21;0.92;;;;;DOPC;MDCG;27;1;"MARTINI bead: SC5_SP1";;;;;;;0.81;;-1.98;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM452162;MM452162;CC#CC=NNCCOC;AQAJDOBQSRAJSW-UHFFFAOYSA-N;140.19;0.23;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_Nd";;;;;;;0.87;;-1.88;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM452163;MM452163;CCN1CCN(C=N)CC1;HHXZRQJGNUHQPY-UHFFFAOYSA-N;141.22;0.23;;;;;DOPC;MDCG;27;1;"MARTINI bead: SP1_SP3";;;;;;;-1.93;;-8.2;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM452164;MM452164;CC#CC=COCCCC;MVUQKOLQWLEXII-UHFFFAOYSA-N;138.21;2.34;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_C4";;;;;;;2.2;;0.34;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM452165;MM452165;C#CC1CCC(NC)CC1;NALRZPOGYISQMH-UHFFFAOYSA-N;137.23;1.4;;;;;DOPC;MDCG;27;1;"MARTINI bead: SC5_SC3";;;;;;;3.34;;-0.01;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM452166;MM452166;CC#CC=COCCOC;UCGGWVDTICRYFI-UHFFFAOYSA-N;140.18;1.19;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_Na";;;;;;;0.87;;-2.22;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM452167;MM452167;C#CC1CCC(CC)OC1;JGJMJSSLTXEWGB-UHFFFAOYSA-N;138.21;1.82;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC4_SN0";;;;;;;2.5;;0.44;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM452168;MM452168;CC#CC=COCOCC;ZSDGMHNABUSKOU-UHFFFAOYSA-N;140.18;1.53;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_Na";;;;;;;0.87;;-2.22;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM452169;MM452169;C#CC1CCC(CN)OC1;SLTHINDYZWSVSI-UHFFFAOYSA-N;139.2;0.37;;;;;DOPC;MDCG;27;1;"MARTINI bead: SNda_SN0";;;;;;;1.17;;-3.21;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM452170;MM452170;CC#CC=NOCCCC;OJYHEPLQNBAHQW-UHFFFAOYSA-N;139.2;1.81;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1_Na";;;;;;;2.91;;0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM452171;MM452171;C=CC1CCC(C=O)NC1;HAICLPHJJFWMAA-UHFFFAOYSA-N;139.2;0.74;;;;;DOPC;MDCG;27;1;"MARTINI bead: SN0_SNda";;;;;;;1.17;;-2.29;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM452172;MM452172;CC#CC=NOCOCC;AKUMEHOCHDNAPU-UHFFFAOYSA-N;141.17;1.01;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_Na";;;;;;;0.87;;-2.22;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM452173;MM452173;C=CC1CCC(C=O)CN1;UHGACQBPGJJZLE-UHFFFAOYSA-N;139.2;0.74;;;;;DOPC;MDCG;27;1;"MARTINI bead: SNd_SP1";;;;;;;0.04;;-4.41;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM452174;MM452174;C=CCNCC=CC#CC;NDGDOIUBHGVNPV-UHFFFAOYSA-N;135.21;1.34;;;;;DOPC;MDCG;27;1;"MARTINI bead: C4_Nd";;;;;;;2.2;;-1.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM452175;MM452175;C=CC1CCC(C=C)OC1;JRUPYIDCDOLUPI-UHFFFAOYSA-N;138.21;2.15;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC5_SC5";;;;;;;2.41;;0.64;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM452176;MM452176;CC#CC=CCNNC=N;NNQSRXAHWDXAIU-UHFFFAOYSA-N;137.19;0.27;;;;;DOPC;MDCG;27;1;"MARTINI bead: C4_P4";;;;;;;0.15;;-4.93;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM452177;MM452177;C=CC1CCN(N=C)CC1;ZZQBXSUMTMKXJT-UHFFFAOYSA-N;138.21;1.5;;;;;DOPC;MDCG;27;0;"MARTINI bead: SN0_SN0";;;;;;;1.47;;-0.05;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM452178;MM452178;C=CCOCC=CC#CC;TVCPEEBUTDUNKY-UHFFFAOYSA-N;136.19;1.77;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4_C5";;;;;;;2.97;;0.45;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM452179;MM452179;C=CC1CCN(C=N)NC1;LLRHUDCWSRPFME-UHFFFAOYSA-N;139.2;0.61;;;;;DOPC;MDCG;27;1;"MARTINI bead: SP1_SP2";;;;;;;-1.06;;-6.36;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM452180;MM452180;CC#CC=CCOCC=O;QSXNLBJFEQGUTM-UHFFFAOYSA-N;138.17;0.78;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4_Na";;;;;;;2.2;;0.34;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM452181;MM452181;C=NNCCCC#N;RUHBYVCPTVOGPL-UHFFFAOYSA-N;111.15;0.5;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_N0";;;;;;;0.34;;-1.53;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM452182;MM452182;C=COCON=CC#CC;IZLWNYLSECVFRJ-UHFFFAOYSA-N;139.15;1.13;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4_P1";;;;;;;1.37;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM452183;MM452183;N=CN1CCN(C=N)CC1;DEJJVTWMGYOZOG-UHFFFAOYSA-N;140.19;-0.18;;;;;DOPC;MDCG;27;1;"MARTINI bead: SP3_SP3";;;;;;;-3.07;;-9.79;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM452184;MM452184;C#CCCOC=CC#CC;OCUGYCDEMBZYJG-UHFFFAOYSA-N;134.18;1.56;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4_Na";;;;;;;2.2;;0.34;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM452185;MM452185;N=CN1CCN(C=O)CC1;VPVKOVXJVALHSK-UHFFFAOYSA-N;141.17;-0.63;;;;;DOPC;MDCG;27;1;"MARTINI bead: SP3_SP3";;;;;;;-3.07;;-9.59;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM452186;MM452186;C#CCCON=CC#CC;VKKXUWUMXXOTJC-UHFFFAOYSA-N;135.17;1.04;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4_Na";;;;;;;2.2;;0.34;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM452187;MM452187;O=CN1CCN(C=O)CC1;CBLGQEBXWDKYDI-UHFFFAOYSA-N;142.16;-1.08;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP3_SP3";;;;;;;-3.07;;-6.15;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM452188;MM452188;C=NN1CCN(C=N)CC1;ZPJIRSMXBOTHNM-UHFFFAOYSA-N;140.19;-0.17;;;;;DOPC;MDCG;27;1;"MARTINI bead: SP1_SP3";;;;;;;-1.93;;-8.13;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM452189;MM452189;CC=CCCC=CCCC;MYUWZTRYQGERCY-UHFFFAOYSA-N;138.25;3.7;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1_C2";;;;;;;4.87;;0.53;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM452190;MM452190;CC=CCCC=CCCN;HPDMHSPGKSJPLE-UHFFFAOYSA-N;139.24;2.25;;;;;DOPC;MDCG;27;1;"MARTINI bead: C1_Nd";;;;;;;2.91;;-0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM452191;MM452191;C=NN1CCN(C=O)CC1;RLGYUBJVIZJUIZ-UHFFFAOYSA-N;141.17;-0.62;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP1_SP3";;;;;;;-1.93;;-4.72;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM452192;MM452192;CC=CCCC=CCCO;YRRGPOPRKWXXFU-UHFFFAOYSA-N;140.23;2.28;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1_Nda";;;;;;;2.91;;0.57;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM452193;MM452193;C=NN1CCN(N=C)CC1;MAUVQXYPVXJALK-UHFFFAOYSA-N;140.19;-0.16;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP1_SP1";;;;;;;-0.79;;-3.13;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM452194;MM452194;CC=CCCC=CCCF;XRRIGXOUTMDGLD-UHFFFAOYSA-N;142.22;3.26;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1_C4";;;;;;;4.24;;0.42;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM452195;MM452195;C#CC1CCC(C=C)OC1;KEKFTHFSAJPZNM-UHFFFAOYSA-N;136.19;1.6;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC5_SN0";;;;;;;1.94;;0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM452196;MM452196;C#CC1CCN(C=O)CC1;ZVUONPZISHCXFX-UHFFFAOYSA-N;137.18;0.49;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNda_SN0";;;;;;;1.17;;-1.13;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM452197;MM452197;CCCC=CCCC=CF;CMDQHXIWOFKXOW-UHFFFAOYSA-N;142.22;3.61;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1_C1";;;;;;;4.95;;0.69;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM452198;MM452198;C#CC1CCN(C=O)OC1;HNFZBJLBUANULF-UHFFFAOYSA-N;139.15;0.03;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP1_SP1";;;;;;;-0.79;;-3.13;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM452199;MM452199;FC=CCCC=CCCF;IIJAAOALQVYZBB-UHFFFAOYSA-N;146.18;3.17;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_C3";;;;;;;3.34;;0.48;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM452200;MM452200;CC=C1CCC(CC)CC1;XTUGQGKPANCBRR-UHFFFAOYSA-N;138.25;3.53;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC1_SC1";;;;;;;4.95;;0.69;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM452201;MM452201;CC=CCCC=CCNC;RGXOMDNEUXVMCV-UHFFFAOYSA-N;139.24;2.12;;;;;DOPC;MDCG;27;1;"MARTINI bead: C5_C2";;;;;;;3.6;;0.63;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM452202;MM452202;CCC1CCC(=CF)CC1;MWGXMULHSKZFJE-UHFFFAOYSA-N;142.22;3.44;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC1_SC4";;;;;;;4.24;;0.42;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM452203;MM452203;CCCC=CCCC=NN;KTSHAXDLMCRXFI-UHFFFAOYSA-N;140.23;2.07;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1_Nd";;;;;;;2.91;;0.64;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM452204;MM452204;CC=C1CCC(CN)CC1;XLUXOFVUBKUEGH-UHFFFAOYSA-N;139.24;2.08;;;;;DOPC;MDCG;27;1;"MARTINI bead: SC1_SC5";;;;;;;3.68;;0.56;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM452205;MM452205;OCCC=CCCC=NO;SFHIHIIZVOVKJJ-UHFFFAOYSA-N;143.19;1.17;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_P1";;;;;;;0.81;;-0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM452206;MM452206;NCC1CCC(=CF)CC1;OPGIJFJLQCKKNT-UHFFFAOYSA-N;143.21;1.99;;;;;DOPC;MDCG;27;1;"MARTINI bead: SC5_SC4";;;;;;;2.97;;-0.07;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM452207;MM452207;CCCC=CCN=CNC;NSFMKHPWXQINJI-UHFFFAOYSA-N;140.23;1.59;;;;;DOPC;MDCG;27;1;"MARTINI bead: C1_P1";;;;;;;2.08;;-1.73;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM452208;MM452208;C#CC1NN=CC1C;RFNQABXHIVFAQH-UHFFFAOYSA-N;108.14;0.21;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP1_SP1";;;;;;;-0.79;;-3.13;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM452209;MM452209;CCCC=CCN=CNN;OFMTZIZBZMRXLQ-UHFFFAOYSA-N;141.22;0.83;;;;;DOPC;MDCG;27;1;"MARTINI bead: C1_P3";;;;;;;0.94;;-1.42;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM452210;MM452210;CCC1CCC(=NN)CC1;IXVCITFQZABYGO-UHFFFAOYSA-N;140.23;1.9;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC1_SC5";;;;;;;3.68;;0.46;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM452211;MM452211;NCCC=CCN=CNO;JBRRKENBFIZRHK-UHFFFAOYSA-N;143.19;-0.1;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_P2";;;;;;;-0.24;;-5.91;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM452212;MM452212;C=C1CNN=C1C#N;WIMRHTXXRFRFKR-UHFFFAOYSA-N;107.12;0.03;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP1_SP1";;;;;;;-0.79;;-3.13;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM452213;MM452213;CNCC=CCN=CNN;JOBDZPNAPLKERL-UHFFFAOYSA-N;142.21;-0.75;;;;;DOPC;MDCG;27;1;"MARTINI bead: C5_P4";;;;;;;-0.41;;-4.87;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM452214;MM452214;CC=C1CCC(NC)CC1;IKNVQTGZWXSFOR-UHFFFAOYSA-N;139.24;2.09;;;;;DOPC;MDCG;27;1;"MARTINI bead: SC5_SC1";;;;;;;3.68;;0.46;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM452215;MM452215;CCOC=CCN=CNC;VWOSZOVHWKXGKD-UHFFFAOYSA-N;142.2;0.78;;;;;DOPC;MDCG;27;1;"MARTINI bead: C5_P1";;;;;;;0.81;;-3.79;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM452216;MM452216;CNC1CCC(=CF)CC1;SELILKIRDJQIPH-UHFFFAOYSA-N;143.21;2;;;;;DOPC;MDCG;27;1;"MARTINI bead: SC5_SC4";;;;;;;2.97;;-0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM452217;MM452217;CC=NNCC=CCCC;ZWRXPMSMCOKHJZ-UHFFFAOYSA-N;140.23;1.94;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1_Nd";;;;;;;2.91;;0.64;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM452218;MM452218;CNC1CCC(=NN)CC1;PIMURNHUMCECCA-UHFFFAOYSA-N;141.22;0.46;;;;;DOPC;MDCG;27;1;"MARTINI bead: SC5_SC5";;;;;;;2.41;;-0.98;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM452219;MM452219;CC=NNCC=CCOC;GRUDRYXXXCQSQX-UHFFFAOYSA-N;142.2;0.78;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_Nd";;;;;;;0.87;;-1.88;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM452220;MM452220;CNC1CCC(=NO)CC1;CGKSOSNDRXNLPU-UHFFFAOYSA-N;142.2;0.98;;;;;DOPC;MDCG;27;1;"MARTINI bead: SC5_SC5";;;;;;;2.41;;-0.76;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM452221;MM452221;CC=C1CCC(OC)CC1;FJVSSVGHFYIXQN-UHFFFAOYSA-N;140.23;2.52;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC4_SC1";;;;;;;4.24;;0.42;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM452222;MM452222;CC=NNCC=COCC;HIIVHBPEOWNMRV-UHFFFAOYSA-N;142.2;1.13;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_Nd";;;;;;;1.64;;0.02;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM452223;MM452223;CC=NNCC=NOCC;NKDSCXGKHNNGIS-UHFFFAOYSA-N;143.19;0.6;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_Nd";;;;;;;0.87;;-1.88;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM452224;MM452224;COC1CCC(=CF)CC1;AGQGJURDBNTREX-UHFFFAOYSA-N;144.19;2.43;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC4_SC4";;;;;;;3.53;;0.53;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM452225;MM452225;CC=COCC=CCCC;UQNMXDYXRLWPOB-UHFFFAOYSA-N;140.23;2.89;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1_C5";;;;;;;3.68;;0.46;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM452226;MM452226;COC1CCC(=NN)CC1;KHOXFJLIXZJXBN-UHFFFAOYSA-N;142.2;0.89;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC4_SC5";;;;;;;2.97;;0.45;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM452227;MM452227;CCCC=CCOC=CF;OAEKUBMPMISWIL-UHFFFAOYSA-N;144.19;2.8;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1_N0";;;;;;;3.21;;0.46;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM452228;MM452228;COC1CCC(=NO)CC1;XQPSTYTXQVAXNK-UHFFFAOYSA-N;143.19;1.41;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC4_SC5";;;;;;;2.97;;0.45;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM452229;MM452229;CCC1CCC(=NN)NC1;SJXPGBZTTKPLBY-UHFFFAOYSA-N;141.22;0.67;;;;;DOPC;MDCG;27;1;"MARTINI bead: SC5_SNd";;;;;;;1.64;;-2.04;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM452230;MM452230;NCCC=CCOC=CF;BVRJMSCQERHSBE-UHFFFAOYSA-N;145.18;1.35;;;;;DOPC;MDCG;27;1;"MARTINI bead: C5_Na";;;;;;;1.64;;-2.69;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM452231;MM452231;CC(=O)N(C)N=CCF;BMYOTBHTPKAFBA-UHFFFAOYSA-N;132.14;0.42;;;;;DOPC;MDCG;27;0;"MARTINI bead: P3_C5";;;;;;;-0.33;;-2.01;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM452232;MM452232;CC=COCC=CCOC;VNHXTNCYPGMEAG-UHFFFAOYSA-N;142.2;1.74;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_C5";;;;;;;1.64;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM452233;MM452233;NCC1CCC(=NO)NC1;HBTYRGJIQAWEFP-UHFFFAOYSA-N;143.19;-0.27;;;;;DOPC;MDCG;27;1;"MARTINI bead: SP1_SNda";;;;;;;0.04;;-4.6;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM452234;MM452234;CC=CC1=NNC(C#N)C1;RNHZFENZLNPLGU-UHFFFAOYSA-N;135.17;0.8;;;;;DOPC;MDCG;27;0;"MARTINI bead: SN0_SP1";;;;;;;0.34;;-1.53;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM452235;MM452235;CNC1=NCC(NC)CC1;OTRYBSLWFYDGOJ-UHFFFAOYSA-N;141.22;-0.01;;;;;DOPC;MDCG;27;1;"MARTINI bead: SNd_SC5";;;;;;;1.64;;-4.01;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM452236;MM452236;ON=COCC=CCCF;HSGKSHLXXISBOP-UHFFFAOYSA-N;147.15;1.34;;;;;DOPC;MDCG;27;0;"MARTINI bead: P3_C3";;;;;;;0.6;;-0.8;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM452237;MM452237;CNC1CCC(=NN)NC1;PUZBNULHTIWYGL-UHFFFAOYSA-N;142.21;-0.77;;;;;DOPC;MDCG;27;1;"MARTINI bead: SP1_SNd";;;;;;;0.04;;-4.66;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM452238;MM452238;C=CC(C)=NNC=NC;AZFZYALDEPEPKR-UHFFFAOYSA-N;125.18;0.8;;;;;DOPC;MDCG;27;0;"MARTINI bead: P3_C3";;;;;;;0.6;;-0.8;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM452239;MM452239;CNC1CCC(=NO)NC1;VBCDWTYIBFSKOW-UHFFFAOYSA-N;143.19;-0.25;;;;;DOPC;MDCG;27;1;"MARTINI bead: SP1_SNda";;;;;;;0.04;;-4.34;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM452240;MM452240;CNc1cnnc(=N)o1;CLMDPMIEIXFBAH-UHFFFAOYSA-N;126.12;-0.41;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP2_SP3";;;;;;;-2.2;;-5.19;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM452241;MM452241;COC1CCC(=NN)NC1;NXAKDOYRWVYFBV-UHFFFAOYSA-N;143.19;-0.34;;;;;DOPC;MDCG;27;1;"MARTINI bead: SNa_SNd";;;;;;;0.87;;-3.41;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM452242;MM452242;CCOC=CCOC=NO;HWCGXVSYCTVHJA-UHFFFAOYSA-N;145.16;0.97;;;;;DOPC;MDCG;27;0;"MARTINI bead: C3_P3";;;;;;;0.6;;-0.8;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM452243;MM452243;C#CC(F)C=NOC=O;REEADTWQFGGBOJ-UHFFFAOYSA-N;129.09;0.12;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_P2";;;;;;;0.54;;-1.09;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM452244;MM452244;CC=NOCC=CCCC;UCPTUDKDJVXCRF-UHFFFAOYSA-N;141.21;2.37;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1_Na";;;;;;;2.91;;0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM452245;MM452245;NCC1CCC(=CF)OC1;ZVYJTLTUCJTEOE-UHFFFAOYSA-N;145.18;1.18;;;;;DOPC;MDCG;27;1;"MARTINI bead: SP1_SC5";;;;;;;0.81;;-3.22;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM452246;MM452246;FC=C1CCC(CF)CO1;KVGHFSVVSPWFJG-UHFFFAOYSA-N;148.15;2.19;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNa_SC5";;;;;;;1.64;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM452247;MM452247;CC=NOCC=COCC;ABJCAUJWTLJUCA-UHFFFAOYSA-N;143.19;1.56;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_Na";;;;;;;1.64;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM452248;MM452248;CC=C1CCC(NC)CO1;UVPLJSRFNHITFD-UHFFFAOYSA-N;141.21;1.29;;;;;DOPC;MDCG;27;1;"MARTINI bead: SNd_SC4";;;;;;;2.2;;-1.89;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM452249;MM452249;CC=COCC=NNCC;MZXOYBRHSMUKEM-UHFFFAOYSA-N;142.2;1.13;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nd_C5";;;;;;;1.64;;0.02;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM452250;MM452250;CNC1CCC(=NO)OC1;FLAPPOJFMTVUNE-UHFFFAOYSA-N;144.17;0.17;;;;;DOPC;MDCG;27;1;"MARTINI bead: SNd_SNda";;;;;;;0.87;;-4.24;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM452251;MM452251;C=CC(C#N)NN=CC;DBNZTYCWDIGYIB-UHFFFAOYSA-N;123.16;0.66;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nd_N0";;;;;;;1.17;;-1.04;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM452252;MM452252;COC1CCC(=CF)OC1;YXMUKGGZPMZKMB-UHFFFAOYSA-N;146.16;1.62;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNa_SC5";;;;;;;1.64;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM452253;MM452253;CC=NOCC=NNCC;QRFRLKDMIFFEBE-UHFFFAOYSA-N;143.19;0.6;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_C5";;;;;;;0.81;;-0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM452254;MM452254;CCC1CNC(=NC)NC1;WNYYYDLRTHVVFR-UHFFFAOYSA-N;141.22;0.19;;;;;DOPC;MDCG;27;1;"MARTINI bead: SP1_SNd";;;;;;;0.04;;-7.41;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM452255;MM452255;CC=NOCC=NOCC;IWQSDRBZZDAZPD-UHFFFAOYSA-N;144.17;1.03;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_C5";;;;;;;0.81;;-0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM452256;MM452256;CC=CCN=CNCCN;YPVOAOFOKJCAMO-UHFFFAOYSA-N;141.22;0.14;;;;;DOPC;MDCG;27;1;"MARTINI bead: C4_P3";;;;;;;0.23;;-3.74;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM452257;MM452257;CCC1CNC(=NN)NC1;MEQISQFKXYAMSM-UHFFFAOYSA-N;142.21;-0.56;;;;;DOPC;MDCG;27;1;"MARTINI bead: SP1_SP2";;;;;;;-1.06;;-7.2;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM452258;MM452258;CCCN=CNCC=NN;NGKPMTVOXACXMV-UHFFFAOYSA-N;142.21;-0.04;;;;;DOPC;MDCG;27;1;"MARTINI bead: C4_P3";;;;;;;0.23;;-3.61;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM452259;MM452259;CN=C1NCC(CN)CN1;FFPLZJVNZNJMSP-UHFFFAOYSA-N;142.21;-1.26;;;;;DOPC;MDCG;27;1;"MARTINI bead: SNd_SP3";;;;;;;-1.1;;-8.18;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM452260;MM452260;CN=C1NCC(CO)CN1;ZWRDPFBKAQOGOP-UHFFFAOYSA-N;143.19;-1.23;;;;;DOPC;MDCG;27;1;"MARTINI bead: SNd_SP3";;;;;;;-1.1;;-8.16;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM452261;MM452261;CC=CCNC=NOCC;YEUPSWQAGZCUNX-UHFFFAOYSA-N;142.2;1.13;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_Nd";;;;;;;0.87;;-1.88;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM452262;MM452262;CN=C1NCC(CF)CN1;WASHCZWBBWBIJB-UHFFFAOYSA-N;145.18;-0.25;;;;;DOPC;MDCG;27;1;"MARTINI bead: SNd_SP2";;;;;;;-0.24;;-7.68;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM452263;MM452263;CCCN=CNNC=NC;XVHNOEADIFJCLV-UHFFFAOYSA-N;142.21;0.18;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_P2";;;;;;;-0.24;;-4.92;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM452264;MM452264;CCCN=CNNC=NN;BSERYHPFXXPMLR-UHFFFAOYSA-N;143.19;-0.58;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_P3";;;;;;;-1.1;;-5.18;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM452265;MM452265;CN=C1NCC(OC)CN1;LPBGTNWTILRWOF-UHFFFAOYSA-N;143.19;-0.82;;;;;DOPC;MDCG;27;1;"MARTINI bead: SP2_SNd";;;;;;;-0.24;;-7.31;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM452266;MM452266;C=CC1=NNC(C#N)C1;RYNZSBPWPRRZEG-UHFFFAOYSA-N;121.14;0.41;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP1_SP1";;;;;;;-0.79;;-3.13;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM452267;MM452267;COC1CNC(=NN)NC1;FZPCPYNYCKUQQS-UHFFFAOYSA-N;144.18;-1.58;;;;;DOPC;MDCG;27;1;"MARTINI bead: SP2_SP2";;;;;;;-1.34;;-7.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM452268;MM452268;O=CN1CCC(=O)C=N1;OWDYKQKVWCPVOD-UHFFFAOYSA-N;126.12;-0.6;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP1_SP1";;;;;;;-0.79;;-3.13;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM452269;MM452269;CC=C1CCC(CC)NC1;WFVWOMAGVBMZRM-UHFFFAOYSA-N;139.24;2.09;;;;;DOPC;MDCG;27;1;"MARTINI bead: SC5_SN0";;;;;;;1.94;;-1.23;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM452270;MM452270;CC=CCNN=CCCC;NJOLUQSSLMAZEB-UHFFFAOYSA-N;140.23;1.94;;;;;DOPC;MDCG;27;0;"MARTINI bead: N0_Nd";;;;;;;1.17;;-1.04;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM452271;MM452271;CCC1CCC(=CF)CN1;AAPZNGSDEGSAER-UHFFFAOYSA-N;143.21;2;;;;;DOPC;MDCG;27;1;"MARTINI bead: SC5_SNa";;;;;;;1.64;;-1.96;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM452272;MM452272;NCCC=NNCC=CF;VTKOIBYKHOPXTE-UHFFFAOYSA-N;145.18;0.39;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_P1";;;;;;;0.04;;-5.05;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM452273;MM452273;NCC1CCC(=CF)CN1;ASERECOVVVUGEJ-UHFFFAOYSA-N;144.19;0.55;;;;;DOPC;MDCG;27;1;"MARTINI bead: SP1_SNa";;;;;;;0.04;;-4.63;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM452274;MM452274;FC=CCNN=CCCF;TWIRZJOPLLPVBT-UHFFFAOYSA-N;148.16;1.4;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_C4";;;;;;;1.37;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM452275;MM452275;OCC1CCC(=CF)CN1;QVQATPSLYWAYCW-UHFFFAOYSA-N;145.18;0.58;;;;;DOPC;MDCG;27;1;"MARTINI bead: SNda_SNa";;;;;;;0.87;;-3.29;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM452276;MM452276;CC=CCNN=CCOC;YHSBMFAOHZEJAB-UHFFFAOYSA-N;142.2;0.78;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_Nd";;;;;;;0.87;;-1.88;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM452277;MM452277;CCC1CCC(=NO)CN1;CJHYBRYJIIWWAB-UHFFFAOYSA-N;142.2;0.98;;;;;DOPC;MDCG;27;1;"MARTINI bead: SC5_SP2";;;;;;;0.54;;-2.39;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM452278;MM452278;NN=CCNN=CCCF;CGCYPYFPESMFQW-UHFFFAOYSA-N;146.17;-0.13;;;;;DOPC;MDCG;27;0;"MARTINI bead: P3_C4";;;;;;;0.23;;-1.03;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM452279;MM452279;NCC1CCC(=NO)CN1;LASFZHXMHIAQTK-UHFFFAOYSA-N;143.19;-0.47;;;;;DOPC;MDCG;27;1;"MARTINI bead: SP1_SP2";;;;;;;-1.06;;-5.82;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM452280;MM452280;CCCC=NNCC=NO;JMOKFHXGFOUGGA-UHFFFAOYSA-N;143.19;0.82;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_P1";;;;;;;0.81;;-0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM452281;MM452281;CCC1CN=C(NC)CN1;IKWZTDHHPVUXKB-UHFFFAOYSA-N;141.22;-0.01;;;;;DOPC;MDCG;27;1;"MARTINI bead: SNd_SP2";;;;;;;-0.24;;-5.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM452282;MM452282;OCCC=NNCC=NO;JPFJAECRZWYTJC-UHFFFAOYSA-N;145.16;-0.6;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_P1";;;;;;;-1.06;;-3.82;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM452283;MM452283;CCC1CNC(=NC)NN1;NPSZYMGDEIMMSO-UHFFFAOYSA-N;142.21;-0.55;;;;;DOPC;MDCG;27;1;"MARTINI bead: SP2_SP2";;;;;;;-1.34;;-8.36;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM452284;MM452284;COCC=NNCC=NO;ZSSBJBBQDNPBDT-UHFFFAOYSA-N;145.16;-0.33;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_P1";;;;;;;-0.79;;-3.13;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM452285;MM452285;CCC1CNC(=NN)NN1;LWMKLKQFWCTVQA-UHFFFAOYSA-N;143.19;-1.31;;;;;DOPC;MDCG;27;1;"MARTINI bead: SP2_SP3";;;;;;;-2.2;;-7.82;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM452286;MM452286;CCC(C)(O)CC1(C)CC1;ZBHCDCAHPYHUPE-UHFFFAOYSA-N;142.24;2.34;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda_SC4";;;;;;;2.2;;0.49;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM452287;MM452287;CN=C1NCC(CF)NN1;NRUDZBWXKSNGMU-UHFFFAOYSA-N;146.17;-0.99;;;;;DOPC;MDCG;27;1;"MARTINI bead: SP2_SP2";;;;;;;-1.34;;-8.21;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM452288;MM452288;CC=CCOC=CCCC;SGDVZNWJCQRYMS-UHFFFAOYSA-N;140.23;2.89;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1_Na";;;;;;;2.91;;0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM452289;MM452289;CCCC=COCC=NN;YHLVYZFYKFBFRP-UHFFFAOYSA-N;142.2;1.26;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1_P2";;;;;;;1.8;;0.4;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM452290;MM452290;N=c1c(N)c(N)on1N;TUVCKJKUOFWPGA-UHFFFAOYSA-N;129.12;-1.56;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP2_SP1";;;;;;;-1.06;;-3.82;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM452291;MM452291;CCCC=COCC=NO;VGIZDQAZLQRALM-UHFFFAOYSA-N;143.19;1.78;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4_P1";;;;;;;1.37;;-0.05;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM452292;MM452292;CC1NC1C(=O)N(C)C;LMYSKTVYGLMPAL-UHFFFAOYSA-N;128.18;-0.57;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP1_P2";;;;;;;-1.06;;-3.82;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM452293;MM452293;CCOC=COCC=NN;CALFCULCPDGXNU-UHFFFAOYSA-N;144.17;0.46;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_P2";;;;;;;0.54;;-1.09;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM452294;MM452294;CC=C1CCC(CC)OC1;YMEVYRYEVUOYRZ-UHFFFAOYSA-N;140.23;2.52;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC4_SC5";;;;;;;2.97;;0.45;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM452295;MM452295;CCC1CCC(=CF)CO1;STLUFSHBLBRWGR-UHFFFAOYSA-N;144.19;2.43;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC4_SNa";;;;;;;2.2;;0.34;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM452296;MM452296;COC(=N)NC(=N)OC=O;FQFKPMPKDYHPHL-UHFFFAOYSA-N;145.12;-0.74;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_P1";;;;;;;-1.06;;-3.82;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM452297;MM452297;OCC1CCC(=CF)CO1;MFCMKNZJYJOWRF-UHFFFAOYSA-N;146.16;1.01;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNda_SNa";;;;;;;0.87;;-1.99;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM452298;MM452298;N=C(C=O)NC(=N)C=CF;SOPCRDRJOCRMKQ-UHFFFAOYSA-N;143.12;0.21;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_P3";;;;;;;-0.33;;-2.01;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM452299;MM452299;CC=C1CCC(CF)OC1;GSDNWBDAESKBIP-UHFFFAOYSA-N;144.19;2.08;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC5_SNa";;;;;;;1.64;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM452300;MM452300;CC=CCOC=NOCC;BSGWFVGHMXYIPV-UHFFFAOYSA-N;143.19;1.56;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_C2";;;;;;;2;;0.29;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM452301;MM452301;CCON=COCC=CF;DPCUJTITVCDUEO-UHFFFAOYSA-N;147.15;1.47;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_Na";;;;;;;0.87;;-2.22;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM452302;MM452302;CCC1CCC(=NO)CO1;FAAPRZRKHJBDDM-UHFFFAOYSA-N;143.19;1.41;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC4_SP1";;;;;;;1.37;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM452303;MM452303;CC=CCON=CCCC;MYJSRRHICQQBRX-UHFFFAOYSA-N;141.21;2.37;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_C2";;;;;;;2.83;;0.35;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM452304;MM452304;ON=C1CCC(CF)OC1;JQAFZMNOCRTJKH-UHFFFAOYSA-N;147.15;0.97;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP1_SNa";;;;;;;0.04;;-2.54;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM452305;MM452305;CCC1CCC(NN)=NO1;PFEQVULHRRHSSK-UHFFFAOYSA-N;143.19;0.35;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC5_SP1";;;;;;;0.81;;-0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM452306;MM452306;CCCC=NOCC=NN;CYKCTAIAZSUCPY-UHFFFAOYSA-N;143.19;0.73;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_Nd";;;;;;;0.87;;-1.88;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM452307;MM452307;N#CC(F)=CNC1CC1;IQEYWPAKMZMJRM-UHFFFAOYSA-N;126.13;1.07;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_SP1";;;;;;;0.81;;-0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM452308;MM452308;C=CCC=CCCC=CC;YNLUXOUMVUUKAA-UHFFFAOYSA-N;136.24;3.48;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1_C2";;;;;;;4.87;;0.53;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM452309;MM452309;COC1CCC(NN)=NO1;LVYKKDRIVSXYCY-UHFFFAOYSA-N;145.16;-0.45;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNa_SP1";;;;;;;0.04;;-2.54;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM452310;MM452310;CC=CCCC=CCC#N;WLLJNCIZWCITIT-UHFFFAOYSA-N;135.21;2.81;;;;;DOPC;MDCG;27;0;"MARTINI bead: C2_C5";;;;;;;3.6;;0.34;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM452311;MM452311;CC1(C)N=C(CF)NC1=N;LHMIRJMNUHWFJK-UHFFFAOYSA-N;143.17;0.71;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP1_SNda";;;;;;;0.04;;-2.73;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM452312;MM452312;C=COC=CCCC=CC;BIPHZNRHJKVYQI-UHFFFAOYSA-N;138.21;3.02;;;;;DOPC;MDCG;27;0;"MARTINI bead: C2_C3";;;;;;;4.53;;0.32;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM452313;MM452313;CCC1CN=C(NC)CO1;LDWOGUSVUMDFRF-UHFFFAOYSA-N;142.2;0.41;;;;;DOPC;MDCG;27;1;"MARTINI bead: SNa_SNd";;;;;;;0.87;;-4.37;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM452314;MM452314;CON=C(C)CC=CC#N;OHQQOZKPWRBQJN-UHFFFAOYSA-N;138.17;1.48;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_N0";;;;;;;1.17;;-1.18;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM452315;MM452315;CCC1CNC(=NC)NO1;MBRKVNNLNFZMHK-UHFFFAOYSA-N;143.19;-0.12;;;;;DOPC;MDCG;27;1;"MARTINI bead: SP1_SP1";;;;;;;-0.79;;-5.71;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM452316;MM452316;C=CC(C)(C#N)C=NNC;VORDTSUQFOFQHZ-UHFFFAOYSA-N;137.19;0.91;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_C5";;;;;;;0.54;;-1.09;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM452317;MM452317;CN=C1NCC(OC)ON1;MFNWTAIIRQTIKX-UHFFFAOYSA-N;145.16;-0.93;;;;;DOPC;MDCG;27;1;"MARTINI bead: SP2_SP1";;;;;;;-1.06;;-5.87;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM452318;MM452318;CON(C)C(=O)C(=N)NN;MBRVYTMXLDMNEZ-UHFFFAOYSA-N;146.15;-1.55;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_P3";;;;;;;-1.93;;-4.72;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM452319;MM452319;CC=C1COC(CC)CO1;MXUOUSBASUTOJM-UHFFFAOYSA-N;142.2;1.72;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNa_SNa";;;;;;;0.87;;-2.22;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM452320;MM452320;C=CCC=CCNN=CC;SQLVXJJHEPTRTF-UHFFFAOYSA-N;138.21;1.71;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nd_C1";;;;;;;2.91;;0.63;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM452321;MM452321;CC=C1COC(CC)OC1;OGFIBMBIRMJQSW-UHFFFAOYSA-N;142.2;1.72;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNa_SP1";;;;;;;0.04;;-2.54;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM452322;MM452322;CN=CNCC=NNC=O;ZQDSKGQYCDRCHB-UHFFFAOYSA-N;142.16;-1.03;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1_P2";;;;;;;-1.06;;-6.73;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM452323;MM452323;CCC1OCC(=CF)CO1;BRFYSDPBPUMPBQ-UHFFFAOYSA-N;146.16;1.62;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNa_SNa";;;;;;;0.87;;-2.22;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM452324;MM452324;C=CCC=CCOC=CC;DPVVXBZDMIELAH-UHFFFAOYSA-N;138.21;2.67;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_C1";;;;;;;2.91;;0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM452325;MM452325;CC=C1COC(CN)OC1;CRJGDWKKQDDCSZ-UHFFFAOYSA-N;143.19;0.26;;;;;DOPC;MDCG;27;1;"MARTINI bead: SP1_SP2";;;;;;;-1.06;;-5.14;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM452326;MM452326;O=CCC=CCOC=CF;HFTOLXDQABJGLU-UHFFFAOYSA-N;144.15;1.59;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_C5";;;;;;;1.64;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM452327;MM452327;NCC1OCC(=CF)CO1;KJTDQEHQIGFRDF-UHFFFAOYSA-N;147.15;0.17;;;;;DOPC;MDCG;27;1;"MARTINI bead: SP2_SNa";;;;;;;-0.24;;-4.56;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM452328;MM452328;CC=COCC=CNC=N;FOOJUSQNOAHTJA-UHFFFAOYSA-N;140.19;1.25;;;;;DOPC;MDCG;27;1;"MARTINI bead: C3_P3";;;;;;;0.6;;-4.39;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM452329;MM452329;CC=C1COC(CF)OC1;JLLJYIUMXJDLDI-UHFFFAOYSA-N;146.16;1.28;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP1_SNa";;;;;;;0.04;;-2.54;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM452330;MM452330;N=CNC=CCOC=NN;PTAGDPYNODRFEP-UHFFFAOYSA-N;142.16;-0.38;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1_P2";;;;;;;-1.06;;-7.62;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM452331;MM452331;CCC1OCC(=NN)CO1;UXHKFTYXFKEEAT-UHFFFAOYSA-N;144.17;0.08;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNa_SP2";;;;;;;-0.24;;-3.24;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM452332;MM452332;C#CC=CC(=N)NN=CC;NAEQQVFKCAKWJG-UHFFFAOYSA-N;135.17;0.75;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nd_Nd";;;;;;;0.87;;-2.11;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM452333;MM452333;CCC1OCC(=NO)CO1;JDMGNTXGMPBXSR-UHFFFAOYSA-N;145.16;0.6;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNa_SP2";;;;;;;-0.24;;-3.24;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM452334;MM452334;N=CNC=CCOC=NO;UDVNXVVLWXTGTP-UHFFFAOYSA-N;143.15;0.13;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nda_P3";;;;;;;-1.1;;-7.66;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM452335;MM452335;NCC1OCC(=NO)CO1;BQKBGAIFERVVQN-UHFFFAOYSA-N;146.15;-0.85;;;;;DOPC;MDCG;27;1;"MARTINI bead: SP2_SP2";;;;;;;-1.34;;-5.58;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM452336;MM452336;O=CNC=CCOC=NO;WOUXKPYABDCCIN-UHFFFAOYSA-N;144.13;-0.32;;;;;DOPC;MDCG;27;0;"MARTINI bead: P3_Nda";;;;;;;-1.1;;-3.97;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM452337;MM452337;CCC1OCC(NC)=NO1;LRDZPYSRJFWBQB-UHFFFAOYSA-N;144.17;0.3;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNa_SP1";;;;;;;0.04;;-2.54;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM452338;MM452338;N=C(NC=CF)C(=O)C=O;HNNWBHPJIUFWQN-UHFFFAOYSA-N;144.11;-0.24;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda_P2";;;;;;;-0.24;;-3.31;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM452339;MM452339;C#CC(F)C=NOC(C)=O;PGHXALLOFPYMED-UHFFFAOYSA-N;143.12;0.51;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_C5";;;;;;;0.54;;-1.09;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM452340;MM452340;C=COC=CCOC=NO;OLQWWNSEERCNPN-UHFFFAOYSA-N;143.14;1.09;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_C5";;;;;;;0.54;;-1.09;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM452341;MM452341;C=NN(C)C(=N)C=C(N)N;BVGIYSCGSAALPO-UHFFFAOYSA-N;141.18;-0.73;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_P2";;;;;;;-1.34;;-4.31;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM452342;MM452342;O=COC=CCOC=NO;VRAMWSVUVFQLKA-UHFFFAOYSA-N;145.11;0.11;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda_P1";;;;;;;0.04;;-2.73;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM452343;MM452343;CON=C(CC(F)F)NN;ZZMUJRVYKHHKAL-UHFFFAOYSA-N;153.13;0.06;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_N0";;;;;;;0.34;;-1.53;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM452344;MM452344;CC=NOCC=CNC=N;JABJBCHBNPTECT-UHFFFAOYSA-N;141.17;0.72;;;;;DOPC;MDCG;27;1;"MARTINI bead: C4_P3";;;;;;;0.23;;-4.73;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM452345;MM452345;CCC1ONC(=NC)NO1;RHRNSFPESDRWQR-UHFFFAOYSA-N;145.16;-0.24;;;;;DOPC;MDCG;27;1;"MARTINI bead: SP2_SP2";;;;;;;-1.34;;-8.3;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM452346;MM452346;CC=COCC=NNC=O;DZRNVUAEQIUGCF-UHFFFAOYSA-N;142.16;0.27;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_P2";;;;;;;0.54;;-1.09;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM452347;MM452347;CC=C1CCN(CC)CC1;ODLKQFCQZHVWQB-UHFFFAOYSA-N;139.24;2.05;;;;;DOPC;MDCG;27;1;"MARTINI bead: SC5_SN0";;;;;;;1.94;;-0.34;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM452348;MM452348;NN=COCC=NNC=O;FBIBPSHUVXXMCP-UHFFFAOYSA-N;144.13;-1.36;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_P2";;;;;;;-1.06;;-3.82;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM452349;MM452349;CCN1CCC(=CF)CC1;JIKMTFJLPSYZTB-UHFFFAOYSA-N;143.21;1.96;;;;;DOPC;MDCG;27;1;"MARTINI bead: SC5_SNa";;;;;;;1.64;;-1.03;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM452350;MM452350;O=CNN=CCOC=NO;CHSVARHJFSZGJT-UHFFFAOYSA-N;145.12;-0.85;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_P2";;;;;;;-1.34;;-4.31;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM452351;MM452351;CCN1CCC(=NN)CC1;UQZOPXDHDCSLOL-UHFFFAOYSA-N;141.22;0.42;;;;;DOPC;MDCG;27;1;"MARTINI bead: SC5_SP2";;;;;;;0.54;;-2.65;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM452352;MM452352;CC=COCC=NOC=O;VMIAEZRIJGLSHK-UHFFFAOYSA-N;143.14;0.7;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_P1";;;;;;;0.81;;-0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM452353;MM452353;CCN1CCC(=NO)CC1;IIQOVJQOSPDVCT-UHFFFAOYSA-N;142.2;0.93;;;;;DOPC;MDCG;27;1;"MARTINI bead: SC5_SP2";;;;;;;0.54;;-2.5;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM452354;MM452354;O=CON=CCOC=CF;FGJSPCBLWOZRGE-UHFFFAOYSA-N;147.11;0.6;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_P2";;;;;;;0.54;;-1.09;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM452355;MM452355;C=CC1CCC(=CC)CC1;OXIOPRMLQDTEJP-UHFFFAOYSA-N;136.24;3.31;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC1_SC1";;;;;;;4.95;;0.69;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM452356;MM452356;CN=c1nncc(NC)o1;QEMCNZJBRDXAEM-UHFFFAOYSA-N;140.15;-0.36;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP2_SP2";;;;;;;-1.34;;-4.31;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM452357;MM452357;C=CC1CCC(=CF)CC1;DUHAAMIFSRTZEL-UHFFFAOYSA-N;140.2;3.22;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC4_SC1";;;;;;;4.24;;0.42;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM452358;MM452358;CC=NOCC=NOC=O;NUBLEOTVJRCWAL-UHFFFAOYSA-N;144.13;0.17;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_P2";;;;;;;0.54;;-1.09;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM452359;MM452359;CC=C1CCC(C=O)CC1;FARVESPTLSQLFO-UHFFFAOYSA-N;138.21;2.32;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC1_SC5";;;;;;;3.68;;0.46;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM452360;MM452360;C=CCNC=NCC=CC;RXEUYEJVGIVADJ-UHFFFAOYSA-N;138.21;1.37;;;;;DOPC;MDCG;27;1;"MARTINI bead: C4_P1";;;;;;;1.37;;-2.51;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM452361;MM452361;O=CC1CCC(=CF)CC1;RBHYGVXLUWUBCB-UHFFFAOYSA-N;142.17;2.23;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC4_SC5";;;;;;;2.97;;0.45;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM452362;MM452362;C=CCNC=NCC=CF;FGJDCQBVTXHVIZ-UHFFFAOYSA-N;142.18;1.27;;;;;DOPC;MDCG;27;1;"MARTINI bead: C5_P1";;;;;;;0.81;;-2.99;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM452363;MM452363;N#CC1CCC(=CF)CC1;HUKSCJDPPCEKQY-UHFFFAOYSA-N;139.17;2.55;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC4_SC4";;;;;;;3.53;;0.53;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM452364;MM452364;C=CC(C#CC1CO1)=NN;GRNFPIJGYSCVSA-UHFFFAOYSA-N;136.15;-0.11;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_SNa";;;;;;;1.64;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM452365;MM452365;C=CC1CCC(=CC)OC1;UYUIJCGLDFMIJM-UHFFFAOYSA-N;138.21;2.5;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC4_SC5";;;;;;;2.97;;0.45;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM452366;MM452366;CN=CNN=CNNC=N;YXUZGPOSQONISJ-UHFFFAOYSA-N;142.17;-1.12;;;;;DOPC;MDCG;27;1;"MARTINI bead: P2_P4";;;;;;;-2.29;;-8.14;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM452367;MM452367;O=CC1CCC(=CF)OC1;HLRJCWPSNRQDTA-UHFFFAOYSA-N;144.15;1.42;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC5_SNa";;;;;;;1.64;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM452368;MM452368;CNC1=CC(=O)C=N1;NQYNZYMOHUVHJQ-UHFFFAOYSA-N;110.12;-0.3;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNd_SNa";;;;;;;0.87;;-1.88;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM452369;MM452369;N#CC1CCC(=CF)OC1;CZQZEBRVUCSBFC-UHFFFAOYSA-N;141.15;1.75;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC5_SN0";;;;;;;1.94;;0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM452370;MM452370;O=COC=NNCC=NO;XMBRGKYWVQOAHL-UHFFFAOYSA-N;145.12;-0.85;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_P1";;;;;;;-0.79;;-3.13;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM452371;MM452371;C=CC1CNC(=NC)NC1;KCFHANRGRKXRPK-UHFFFAOYSA-N;139.2;-0.03;;;;;DOPC;MDCG;27;1;"MARTINI bead: SNd_SP1";;;;;;;0.04;;-7.38;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM452372;MM452372;C=CCC=COCC=NN;OFOQKKKBMRIJBU-UHFFFAOYSA-N;140.19;1.04;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nd_C5";;;;;;;1.64;;0.02;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM452373;MM452373;C=CCC=COCC=NO;RKJPSUJBNHVTPL-UHFFFAOYSA-N;141.17;1.55;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_C5";;;;;;;0.81;;-0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM452374;MM452374;C=CC1CNC(=NN)NC1;MFOKLQYGRZHATC-UHFFFAOYSA-N;140.19;-0.79;;;;;DOPC;MDCG;27;1;"MARTINI bead: SP2_SP1";;;;;;;-1.06;;-7.15;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM452375;MM452375;N=CNC=COCC=CF;JBYFBVSYGRCZBF-UHFFFAOYSA-N;144.15;1.15;;;;;DOPC;MDCG;27;1;"MARTINI bead: C4_P3";;;;;;;0.23;;-3.91;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM452376;MM452376;C=CC1CCC(=CF)CN1;LGXLWFFEOVYEOD-UHFFFAOYSA-N;141.19;1.78;;;;;DOPC;MDCG;27;1;"MARTINI bead: SNa_SNd";;;;;;;0.87;;-3.08;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM452377;MM452377;N=CNC=COCC=NN;VZKKSJGVMIIGMV-UHFFFAOYSA-N;142.16;-0.38;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_P3";;;;;;;-1.1;;-6.82;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM452378;MM452378;C=CC1CNC(=NC)NN1;IHEYQUBQZIVCSM-UHFFFAOYSA-N;140.19;-0.78;;;;;DOPC;MDCG;27;1;"MARTINI bead: SP2_SP2";;;;;;;-1.34;;-8.34;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM452379;MM452379;CC=NNCC(F)(F)F;FAHHNHWGAYDYHT-UHFFFAOYSA-N;140.11;1.14;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nd_N0";;;;;;;1.17;;-1.04;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM452380;MM452380;C=COC(=O)CNN=CC;NJYFDASUIXEPMY-UHFFFAOYSA-N;142.16;0.27;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nd_Na";;;;;;;0.87;;-1.88;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM452381;MM452381;C=COC=COCC=NN;RHCICRGWPIFRGR-UHFFFAOYSA-N;142.16;0.58;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nd_Na";;;;;;;0.87;;-1.88;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM452382;MM452382;C=CC1CCC(=NN)CO1;FLAPUVRJAMPLGS-UHFFFAOYSA-N;140.19;0.67;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNd_SC5";;;;;;;1.64;;0.02;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM452383;MM452383;C#CC(=N)NC(=N)C=O;LYFOKADJZMOQJX-UHFFFAOYSA-N;123.12;-0.64;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_P2";;;;;;;-1.34;;-4.31;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM452384;MM452384;C=CC1CNC(=NN)NO1;QMCDPIWUBUIBOD-UHFFFAOYSA-N;142.16;-1.1;;;;;DOPC;MDCG;27;1;"MARTINI bead: SP2_SP2";;;;;;;-1.34;;-5.36;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM452385;MM452385;CC=CCOC=NNC=O;HNHGVIDOQAEDRE-UHFFFAOYSA-N;142.16;0.27;;;;;DOPC;MDCG;27;0;"MARTINI bead: C2_P3";;;;;;;0.86;;-0.3;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM452386;MM452386;C=CC1OCC(=CC)CO1;FCNMTRJHMMVDEG-UHFFFAOYSA-N;140.18;1.49;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP1_SNa";;;;;;;0.04;;-2.54;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM452387;MM452387;CN1N=CC(F)C1(C)C;LPAXQRFUDZWFLJ-UHFFFAOYSA-N;130.17;1.03;;;;;DOPC;MDCG;27;0;"MARTINI bead: SN0_SP1";;;;;;;0.34;;-1.53;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM452388;MM452388;CC=C1COC(C=O)OC1;VTHIQPRMHLEONC-UHFFFAOYSA-N;142.15;0.5;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP1_SP1";;;;;;;-0.79;;-3.13;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM452389;MM452389;C=CC1OCC(=NN)CO1;WXBGECMYXCZHQH-UHFFFAOYSA-N;142.16;-0.14;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP2_SNa";;;;;;;-0.24;;-3.24;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM452390;MM452390;O=CNN=COCC=CF;ADOHZGMTEUBRKT-UHFFFAOYSA-N;146.12;0.18;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4_P3";;;;;;;0.23;;-1.03;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM452391;MM452391;C=CC1OCC(=NO)NO1;CSUUPYGKMILOQS-UHFFFAOYSA-N;144.13;-0.16;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP2_SP1";;;;;;;-1.06;;-3.82;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM452392;MM452392;NN=CCOC=NNC=O;VUJSJUWODCBJLS-UHFFFAOYSA-N;144.13;-1.36;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_P2";;;;;;;-1.34;;-4.31;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM452393;MM452393;CC=C1CCN(C=N)CC1;SHLBXPNKCFFQOP-UHFFFAOYSA-N;138.21;1.64;;;;;DOPC;MDCG;27;1;"MARTINI bead: SN0_SNd";;;;;;;1.17;;-5.15;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM452394;MM452394;NN=CCOC=NOC=O;HHYXNUNJFJTGLM-UHFFFAOYSA-N;145.12;-0.94;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nd_P2";;;;;;;-0.24;;-3.16;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM452395;MM452395;C=NNC(C)C(=O)CC;UHVHVBNKDYIUSF-UHFFFAOYSA-N;128.18;0.56;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_Nd";;;;;;;0.87;;-1.88;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM452396;MM452396;N=CN1CCC(=CF)CC1;WZMJTMYMVYKSDA-UHFFFAOYSA-N;142.18;1.54;;;;;DOPC;MDCG;27;1;"MARTINI bead: SNa_SNd";;;;;;;0.87;;-5.99;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM452397;MM452397;O=CNN=CONC=NO;RJVRMWOFGANDCT-UHFFFAOYSA-N;146.11;-1.39;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_P2";;;;;;;-1.06;;-3.82;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM452398;MM452398;CC=C1CCN(C=O)CC1;XUJJUXIZTHLMLU-UHFFFAOYSA-N;139.2;1.18;;;;;DOPC;MDCG;27;0;"MARTINI bead: SN0_SNda";;;;;;;1.17;;-1.13;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM452399;MM452399;C=CCC=NOCC=CC;YBLJUXJARKBISR-UHFFFAOYSA-N;139.2;2.14;;;;;DOPC;MDCG;27;0;"MARTINI bead: C2_Na";;;;;;;2.83;;0.35;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM452400;MM452400;O=CN1CCC(=CF)CC1;WBKVJFNNWIZERN-UHFFFAOYSA-N;143.16;1.09;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNa_SNda";;;;;;;0.87;;-1.99;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM452401;MM452401;N#CC=C1N=CC(=N)N1;BCNOXPKIKIHXCF-UHFFFAOYSA-N;120.12;;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP2_SP1";;;;;;;-1.06;;-3.82;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM452402;MM452402;N=CN1CCC(=NN)CC1;QEQCOZUOUZRCRG-UHFFFAOYSA-N;140.19;;;;;;DOPC;MDCG;27;1;"MARTINI bead: SP2_SNd";;;;;;;-0.24;;-7.13;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM452403;MM452403;CC12CC(=O)C(=N)N1C2;ZZAJHBIKCDKBQK-UHFFFAOYSA-N;124.14;0.01;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP1_SP2";;;;;;;-1.06;;-3.82;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM452404;MM452404;N=CN1CCC(=NO)CC1;IZJKJCOWHHOFRF-UHFFFAOYSA-N;141.17;0.52;;;;;DOPC;MDCG;27;1;"MARTINI bead: SP2_SNd";;;;;;;-0.24;;-7.46;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM452405;MM452405;C#CCC(=N)NC(=N)C#N;PCCKIPDTPJFVSR-UHFFFAOYSA-N;134.14;0.08;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nd_P2";;;;;;;-0.24;;-3.16;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM452406;MM452406;NN=C1CCN(C=O)CC1;NLJVUQRFOSRLLS-UHFFFAOYSA-N;141.17;-0.45;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP2_SNda";;;;;;;-0.24;;-3.31;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM452407;MM452407;C=CNC=NOCC=CC;LLXMKGPYGDOXHT-UHFFFAOYSA-N;140.19;1.26;;;;;DOPC;MDCG;27;0;"MARTINI bead: C2_P2";;;;;;;1.72;;0.31;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM452408;MM452408;O=CN1CCC(=NO)CC1;XZPIDCGVNSOXTF-UHFFFAOYSA-N;142.16;0.07;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP2_SNda";;;;;;;-0.24;;-3.31;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM452409;MM452409;C=CNC=NOCC=NN;PYQLVZQVOVOKJO-UHFFFAOYSA-N;142.16;-0.38;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nd_P2";;;;;;;-0.24;;-3.16;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM452410;MM452410;C=NN1CCC(=CC)CC1;WUKWKPZKUQKTPG-UHFFFAOYSA-N;138.21;1.64;;;;;DOPC;MDCG;27;0;"MARTINI bead: SN0_SN0";;;;;;;1.47;;-0.05;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM452411;MM452411;CCC1(O)CC2CC2(C)C1;MDDXGYFOTOFAJR-UHFFFAOYSA-N;140.23;1.95;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC5_SC4";;;;;;;2.97;;0.45;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM452412;MM452412;C=NN1CCC(=CF)CC1;LHVYRNNGLUPQCS-UHFFFAOYSA-N;142.18;1.55;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNa_SN0";;;;;;;1.17;;-1.18;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM452413;MM452413;N=C(N)C(=O)C(=O)C=CN;ZZLSEOMHQNBIFZ-UHFFFAOYSA-N;141.13;-1.47;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_P2";;;;;;;-1.06;;-3.82;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM452414;MM452414;C=NN1CCC(=NN)CC1;DVDSLTCYLJCHDM-UHFFFAOYSA-N;140.19;0.01;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP2_SN0";;;;;;;0.06;;-2.21;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM452415;MM452415;C#CCNC=NCC=CC;JMPDZOOXWBMKNX-UHFFFAOYSA-N;136.2;0.81;;;;;DOPC;MDCG;27;1;"MARTINI bead: C4_P2";;;;;;;1.09;;-1.78;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM452416;MM452416;C=NN=C(C)C(N)=CC=O;WNBXCUMAQWVLKU-UHFFFAOYSA-N;139.16;0.1;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_P2";;;;;;;0.54;;-1.09;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM452417;MM452417;C#CCN=CNNC=NC;UYPJZNGJXQFHGH-UHFFFAOYSA-N;138.17;-0.6;;;;;DOPC;MDCG;27;1;"MARTINI bead: P2_P1";;;;;;;-1.06;;-5.42;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM452418;MM452418;CC=C1CCN(C=N)NC1;NFJGURVXVGMEDX-UHFFFAOYSA-N;139.2;0.75;;;;;DOPC;MDCG;27;1;"MARTINI bead: SP1_SP2";;;;;;;-1.06;;-6.26;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM452419;MM452419;C=NNC(=NCC)C(=C)C;CEFXAJSDRNLZPO-UHFFFAOYSA-N;139.2;1.19;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nd_C4";;;;;;;2.2;;0.34;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM452420;MM452420;N=CN1CCC(=CF)CN1;RGKOJQDEOHORQG-UHFFFAOYSA-N;143.17;0.66;;;;;DOPC;MDCG;27;1;"MARTINI bead: SP2_SP2";;;;;;;-1.34;;-6.74;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM452421;MM452421;C#CCC=COCC=CF;ZKDXCDOVVDMESB-UHFFFAOYSA-N;140.16;2.02;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4_Na";;;;;;;2.2;;0.34;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM452422;MM452422;CC=C1CCN(C=O)NC1;MGROAAFWWAEQGU-UHFFFAOYSA-N;140.19;0.3;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP1_SP2";;;;;;;-1.06;;-3.82;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM452423;MM452423;C#CCC=COCC=NN;ZUAZCOLWIKTFBI-UHFFFAOYSA-N;138.17;0.48;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nd_Na";;;;;;;0.87;;-1.88;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM452424;MM452424;O=CN1CCC(=CF)CN1;BXCJBJHRDPREJO-UHFFFAOYSA-N;144.15;0.21;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP2_SP2";;;;;;;-1.34;;-4.31;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM452425;MM452425;N=CN1CCC(=NN)CN1;NKEAESBVUHSTDJ-UHFFFAOYSA-N;141.18;-0.88;;;;;DOPC;MDCG;27;1;"MARTINI bead: SP3_SP2";;;;;;;-2.2;;-7.55;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM452426;MM452426;C#CCC=NOCC=NN;VIADSQJXTXKRSF-UHFFFAOYSA-N;139.16;-0.04;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_N0";;;;;;;0.34;;-1.53;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM452427;MM452427;CC=CC=CCCC=CC;ANRQJIHQLUYYSI-UHFFFAOYSA-N;136.24;3.48;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1_C1";;;;;;;4.95;;0.69;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM452428;MM452428;N=CN1CCC(=NO)CN1;BYBYGKNXSJWFDH-UHFFFAOYSA-N;142.16;-0.37;;;;;DOPC;MDCG;27;1;"MARTINI bead: SP3_SP2";;;;;;;-2.2;;-7.53;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM452429;MM452429;NN=CC=CCCC=NN;GOSWLQDONFBIPO-UHFFFAOYSA-N;140.19;0.21;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nd_Nd";;;;;;;0.87;;-2.11;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM452430;MM452430;NN=C1CCN(C=O)NC1;LAEJHQMLNGNRBY-UHFFFAOYSA-N;142.16;-1.33;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP3_SP2";;;;;;;-2.2;;-5.19;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM452431;MM452431;CC=CCCC=NN=CC;GVOUOZHTXUWTFL-UHFFFAOYSA-N;138.21;2.42;;;;;DOPC;MDCG;27;0;"MARTINI bead: C2_C3";;;;;;;4.53;;0.32;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM452432;MM452432;O=CN1CCC(=NO)CN1;ODZYORDBJQPPPT-UHFFFAOYSA-N;143.15;-0.82;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP3_SP2";;;;;;;-2.2;;-5.19;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM452433;MM452433;CC=CC=CCNC=NC;MSUJJVXGQDRTMQ-UHFFFAOYSA-N;138.21;1.37;;;;;DOPC;MDCG;27;1;"MARTINI bead: C1_P1";;;;;;;2.08;;-1.74;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM452434;MM452434;CC=C1CCN(C=O)OC1;KBGAKIKZWBHDSK-UHFFFAOYSA-N;141.17;0.73;;;;;DOPC;MDCG;27;0;"MARTINI bead: SN0_SP1";;;;;;;0.34;;-1.53;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM452435;MM452435;CN=CNCC=CC=CF;WEBVVBKSTGDYLW-UHFFFAOYSA-N;142.18;1.27;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1_C4";;;;;;;1.37;;-3.3;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM452436;MM452436;O=CN1CCC(=CF)CO1;PVWAYAZDTRBTHX-UHFFFAOYSA-N;145.13;0.63;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNa_SP1";;;;;;;0.04;;-2.54;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM452437;MM452437;CC=CC=CCNN=CC;TUHWHMIJTLHHJD-UHFFFAOYSA-N;138.21;1.71;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1_Nd";;;;;;;2.91;;0.63;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM452438;MM452438;NN=C1CCN(C=O)OC1;NBBUJRNFWAQKQB-UHFFFAOYSA-N;143.15;-0.91;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP2_SP1";;;;;;;-1.06;;-3.82;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM452439;MM452439;CC=NNCC=CC=CF;YRVVSYHOPHOCTB-UHFFFAOYSA-N;142.18;1.62;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nd_C4";;;;;;;2.2;;0.32;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM452440;MM452440;O=CN1CCC(=NO)CO1;LFFAOGBWNXYVLT-UHFFFAOYSA-N;144.13;-0.39;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP2_SP1";;;;;;;-1.06;;-3.82;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM452441;MM452441;CC=NN=CCNC=NC;AQDFUCGEXSAELT-UHFFFAOYSA-N;140.19;0.31;;;;;DOPC;MDCG;27;1;"MARTINI bead: C5_P1";;;;;;;0.81;;-3.4;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM452442;MM452442;C#CC1CCC(=CF)CC1;UIMIMJQEQSOQIE-UHFFFAOYSA-N;138.19;2.66;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC4_SC3";;;;;;;3.9;;0.47;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM452443;MM452443;CC=CC=CCOC=CC;HASYNEGOKRPWOJ-UHFFFAOYSA-N;138.21;2.67;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_C1";;;;;;;3.68;;0.46;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM452444;MM452444;C#CC1CCC(=NO)CC1;AZVQZPFLINBQAN-UHFFFAOYSA-N;137.18;1.64;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC5_SC3";;;;;;;3.34;;0.48;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM452445;MM452445;CC=COCC=CC=CF;TWLWDOBVYLDKLO-UHFFFAOYSA-N;142.17;2.58;;;;;DOPC;MDCG;27;0;"MARTINI bead: C3_C4";;;;;;;3.9;;0.47;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM452446;MM452446;C#CC1(C#N)ONC(=N)O1;OTPFIEYHMBIREJ-UHFFFAOYSA-N;137.1;-0.67;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP2_SP2";;;;;;;-1.34;;-4.31;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM452447;MM452447;CC=COCC=CC=NO;JDHOWAJWQXTBAY-UHFFFAOYSA-N;141.17;1.55;;;;;DOPC;MDCG;27;0;"MARTINI bead: C3_P1";;;;;;;1.74;;0.29;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM452448;MM452448;CC=C1CCC(=CC)CC1;JINIOECDFDUNIQ-UHFFFAOYSA-N;136.24;3.45;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC1_SC1";;;;;;;4.95;;0.69;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM452449;MM452449;CC=CC=CCOC=NO;ONZZFEOYVJFGHY-UHFFFAOYSA-N;141.17;1.55;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1_P3";;;;;;;0.94;;0.03;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM452450;MM452450;CC=C1CCC(=CF)CC1;HNZDZOMPFDDACH-UHFFFAOYSA-N;140.2;3.36;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC1_SC4";;;;;;;4.24;;0.42;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM452451;MM452451;CC=CC=CCON=CC;FKFMRQNJFQCZIJ-UHFFFAOYSA-N;139.2;2.14;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1_P1";;;;;;;2.08;;0.48;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM452452;MM452452;FC=C1CCC(=CF)CC1;PIWYDJREGXPPKF-UHFFFAOYSA-N;144.16;3.27;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC4_SC4";;;;;;;3.53;;0.53;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM452453;MM452453;Cn1c(N)cc(N)cc1=O;DTMZKPVRNVSVHJ-UHFFFAOYSA-N;139.16;-0.45;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP2_SNd";;;;;;;-0.24;;-3.16;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM452454;MM452454;CC=C1CCC(=NN)CC1;OCIFFCCRBJXWQC-UHFFFAOYSA-N;138.21;1.82;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC1_SC5";;;;;;;3.68;;0.46;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM452455;MM452455;CC=NN=CCOC=NO;JQMOHRLEJGLTEK-UHFFFAOYSA-N;143.15;0.5;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_P2";;;;;;;0.54;;-1.09;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM452456;MM452456;C=CC1(C=O)CC(C)=NN1;ACSGPRGIRCDUPR-UHFFFAOYSA-N;138.17;0.48;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP1_SNda";;;;;;;0.04;;-2.73;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM452457;MM452457;CC=NN=CCON=CC;CBFDXYNLPATOQF-UHFFFAOYSA-N;141.17;1.09;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_C5";;;;;;;1.64;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM452458;MM452458;NN=C1CCC(=CF)CC1;RWSAQZOGPBLLHP-UHFFFAOYSA-N;142.18;1.73;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC5_SC4";;;;;;;2.97;;0.45;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM452459;MM452459;CC=CCN=CC=CNN;GHEZGXNDLLKBGL-UHFFFAOYSA-N;139.2;0.61;;;;;DOPC;MDCG;27;1;"MARTINI bead: C2_P2";;;;;;;1.72;;-2.39;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM452460;MM452460;ON=C1CCC(=CF)CC1;ZXFGOOMVULGXTG-UHFFFAOYSA-N;143.16;2.24;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC5_SC4";;;;;;;2.97;;0.45;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM452461;MM452461;CC(C=O)NCC(F)=CF;RLTLOLRVBQVYJM-UHFFFAOYSA-N;149.14;0.94;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_C5";;;;;;;0.54;;-1.09;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM452462;MM452462;NN=C1CCC(=NN)CC1;FJSMSVBMHCBOCC-UHFFFAOYSA-N;140.19;0.19;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC5_SC5";;;;;;;2.41;;0.64;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM452463;MM452463;C=NN(C)C(C)C(=O)CC;SRJNGQVPHRDRMO-UHFFFAOYSA-N;142.2;0.9;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_P2";;;;;;;0.54;;-1.09;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM452464;MM452464;C#CCCONC(=N)C=O;MHTJERGCGSYYRV-UHFFFAOYSA-N;140.14;-0.29;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_Nda";;;;;;;-0.24;;-3.31;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM452465;MM452465;ON=CC=CNNC=NO;WFYZREBMAGGBLB-UHFFFAOYSA-N;144.13;-0.53;;;;;DOPC;MDCG;27;0;"MARTINI bead: P4_Nda";;;;;;;-1.19;;-4.91;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM452466;MM452466;ON=C1CCC(=NO)CC1;YYSHRZLAHGVFGY-UHFFFAOYSA-N;142.16;1.22;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC5_SC5";;;;;;;2.41;;0.64;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM452467;MM452467;CC=C1CCC(=NC)NC1;FVBLFPVBGJQJGD-UHFFFAOYSA-N;138.21;1.34;;;;;DOPC;MDCG;27;1;"MARTINI bead: SN0_SC5";;;;;;;1.94;;-2.64;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM452468;MM452468;CN=CNNC=NC=NN;JVFWYJFSRIMMAE-UHFFFAOYSA-N;142.17;-1.33;;;;;DOPC;MDCG;27;1;"MARTINI bead: P2_P2";;;;;;;-1.34;;-5.89;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM452469;MM452469;CC=C1CCC(=NN)NC1;AAWZLJMZEPQSLH-UHFFFAOYSA-N;139.2;0.59;;;;;DOPC;MDCG;27;1;"MARTINI bead: SN0_SNd";;;;;;;1.17;;-2.61;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM452470;MM452470;N#CC(=N)NC=NCCF;XWLOOQNNTGGZEN-UHFFFAOYSA-N;142.14;0.07;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_P2";;;;;;;-0.24;;-3.24;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM452471;MM452471;N#CC#CC(=N)NOC=O;TUHOTGUBRNCDOC-UHFFFAOYSA-N;137.1;-0.83;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_Nd";;;;;;;-0.24;;-3.16;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM452472;MM452472;ON=CN=CNNC=NO;HMYVCIAGUQHZDK-UHFFFAOYSA-N;145.12;-1.06;;;;;DOPC;MDCG;27;0;"MARTINI bead: P3_P2";;;;;;;-2.2;;-5.19;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM452473;MM452473;CN=C1CCC(=CF)CN1;RBKYBSQCCCKAOO-UHFFFAOYSA-N;142.18;1.25;;;;;DOPC;MDCG;27;1;"MARTINI bead: SC5_SNa";;;;;;;1.64;;-3.74;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM452474;MM452474;CC=NN=CNNC=NC;DWODIGIYJFKSAY-UHFFFAOYSA-N;141.18;-0.23;;;;;DOPC;MDCG;27;1;"MARTINI bead: C5_P3";;;;;;;-0.33;;-3.54;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM452475;MM452475;NN=C1CCC(=CF)CN1;HLHREUDGOLLTEQ-UHFFFAOYSA-N;143.17;0.5;;;;;DOPC;MDCG;27;1;"MARTINI bead: SNd_SNa";;;;;;;0.87;;-3.39;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM452476;MM452476;NNC=NC=NOC=NO;KAMPIHPSUWZCHJ-UHFFFAOYSA-N;145.12;-1.14;;;;;DOPC;MDCG;27;0;"MARTINI bead: P4_Nda";;;;;;;-1.19;;-4.91;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM452477;MM452477;CN(N=CCF)C(=O)C=O;QKWFGCJMIIIRII-UHFFFAOYSA-N;146.12;-0.4;;;;;DOPC;MDCG;27;0;"MARTINI bead: P3_C5";;;;;;;-0.33;;-2.01;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM452478;MM452478;CC=CC=NNCC=CC;BFHTVKHJDAHXHD-UHFFFAOYSA-N;138.21;1.71;;;;;DOPC;MDCG;27;0;"MARTINI bead: C2_C5";;;;;;;3.6;;0.34;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM452479;MM452479;C=CCNN=CC(=C)C#N;DLIDBIXSGDOQJU-UHFFFAOYSA-N;135.17;0.83;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nd_N0";;;;;;;1.17;;-1.04;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM452480;MM452480;CN=C1CCC(=NN)CN1;KRZXQOZIMXUCEW-UHFFFAOYSA-N;140.19;-0.29;;;;;DOPC;MDCG;27;1;"MARTINI bead: SC5_SP2";;;;;;;0.54;;-4.47;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM452481;MM452481;NN=C1CCC(=NN)NC1;JELQFXVECKCHFZ-UHFFFAOYSA-N;141.18;-1.04;;;;;DOPC;MDCG;27;1;"MARTINI bead: SP2_SNd";;;;;;;-0.24;;-4.24;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM452482;MM452482;ON=CC=NNCC=CF;HBTWSNFMMQCHBK-UHFFFAOYSA-N;145.14;0.51;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_C5";;;;;;;0.54;;-1.09;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM452483;MM452483;C#CC(NN=C)C(C)C#N;IKGQQNUGTSCKTL-UHFFFAOYSA-N;135.17;0.35;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_P1";;;;;;;0.81;;-0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM452484;MM452484;NN=CCNN=CC=CF;XYYLKAVLDFBYFH-UHFFFAOYSA-N;144.15;-0.01;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_C5";;;;;;;0.81;;-0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM452485;MM452485;CN=C1CCC(=NO)CN1;HTGOFWMFKHWRKN-UHFFFAOYSA-N;141.17;0.23;;;;;DOPC;MDCG;27;1;"MARTINI bead: SC5_SP2";;;;;;;0.54;;-4.26;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM452486;MM452486;CC=CC=COCC=CC;OFVAHDALWYSDOB-UHFFFAOYSA-N;138.21;2.67;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_C1";;;;;;;2.91;;0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM452487;MM452487;CC=CCOC=CC=NN;BZLMPUUMVWNTQW-UHFFFAOYSA-N;140.19;1.04;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4_Nd";;;;;;;2.2;;0.32;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM452488;MM452488;NN=C1CCC(=NO)CN1;GKXFDNOTXCGWTR-UHFFFAOYSA-N;142.16;-0.53;;;;;DOPC;MDCG;27;1;"MARTINI bead: SNd_SP2";;;;;;;-0.24;;-4.21;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM452489;MM452489;CC=CCOC=CC=NO;NRYGZRHNCMMVRE-UHFFFAOYSA-N;141.17;1.55;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_Nda";;;;;;;0.87;;-1.99;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM452490;MM452490;Cn1cnn(N)c(=O)c1=N;FHZVSQNHRAHCLP-UHFFFAOYSA-N;141.13;-2.22;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP3_SP3";;;;;;;-3.07;;-6.15;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM452491;MM452491;CC=C1CCC(=CC)OC1;YCOAJODVLHDJER-UHFFFAOYSA-N;138.21;2.65;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC5_SC4";;;;;;;2.97;;0.45;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM452492;MM452492;CC=CCOC=NN=CC;BVFVEELLBMRKLX-UHFFFAOYSA-N;140.19;1.61;;;;;DOPC;MDCG;27;0;"MARTINI bead: C2_Na";;;;;;;2.83;;0.35;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM452493;MM452493;CC=C1CCC(=CF)OC1;DWNXZRMGKLEOMD-UHFFFAOYSA-N;142.17;2.55;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC5_SC5";;;;;;;2.41;;0.64;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM452494;MM452494;CC=NN=COCC=CF;NWMRBFVHNGCFKB-UHFFFAOYSA-N;144.15;1.52;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_C5";;;;;;;2.41;;0.64;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM452495;MM452495;CC=C1CCC(=CF)CO1;NXGVZPDZARGHPE-UHFFFAOYSA-N;142.17;2.55;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC4_SNa";;;;;;;2.2;;0.34;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM452496;MM452496;CC=NN=COCC=NN;UQQQZCZVPYGVQJ-UHFFFAOYSA-N;142.16;-0.02;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_P2";;;;;;;0.54;;-1.09;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM452497;MM452497;FC=C1CCC(=CF)OC1;CKYGZJIHZRMEJF-UHFFFAOYSA-N;146.14;2.46;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNa_SC5";;;;;;;1.64;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM452498;MM452498;CC=C(F)C(=NOC)NN;BHXZABGITFAOLR-UHFFFAOYSA-N;147.15;0.28;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_C5";;;;;;;0.81;;-0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM452499;MM452499;N=c1c(=O)n(N)ncn1N;HOQFCODWJHCCFK-UHFFFAOYSA-N;142.12;-3.05;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP3_SP3";;;;;;;-3.07;;-6.15;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM452500;MM452500;NN=CCON=CC=CF;KKGWEBJLUNUKGA-UHFFFAOYSA-N;145.14;0.42;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nd_Na";;;;;;;0.87;;-1.88;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM452501;MM452501;CC=C1CCC(=NO)OC1;CIQZVWIAXGBESJ-UHFFFAOYSA-N;141.17;1.53;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC5_SNda";;;;;;;1.64;;0.05;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM452502;MM452502;CC#CC=CCCC=CC;REYLMDOURDDHNZ-UHFFFAOYSA-N;134.22;2.92;;;;;DOPC;MDCG;27;0;"MARTINI bead: C2_C1";;;;;;;4.87;;0.53;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM452503;MM452503;Nc1noc(=NOC=O)o1;VTJOQGFMBSTPCH-UHFFFAOYSA-N;145.07;-1.16;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP3_P1";;;;;;;-1.93;;-4.72;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM452504;MM452504;CC#CC=CCOC=CC;ICCWQGPIQXEZSD-UHFFFAOYSA-N;136.19;2.12;;;;;DOPC;MDCG;27;0;"MARTINI bead: C3_C4";;;;;;;3.9;;0.47;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM452505;MM452505;ON=C1CCC(=CF)CO1;FDPWUFDXQIHYEV-UHFFFAOYSA-N;145.13;1.44;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNda_SNa";;;;;;;0.87;;-1.99;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM452506;MM452506;CC#CC=CCON=CC;ABMLTQMIJKWWTL-UHFFFAOYSA-N;137.18;1.59;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_C4";;;;;;;2.97;;0.45;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM452507;MM452507;CC=C1CCC(=NN)CO1;LBWIJSYTWXQEJV-UHFFFAOYSA-N;140.19;1.02;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC4_SNd";;;;;;;2.2;;0.32;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM452508;MM452508;CC#CC=COCC=CC;VCDUEATYGZHEHL-UHFFFAOYSA-N;136.19;2.12;;;;;DOPC;MDCG;27;0;"MARTINI bead: C2_Na";;;;;;;2.83;;0.35;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM452509;MM452509;NN=C1CCC(=CF)OC1;RFJBOISYABWTAA-UHFFFAOYSA-N;144.15;0.92;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNd_SC5";;;;;;;1.64;;0.02;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM452510;MM452510;CC#CCCC=CCCC;KEXLSFGFTFNLSL-UHFFFAOYSA-N;136.24;3.15;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1_C3";;;;;;;4.61;;0.31;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM452511;MM452511;CC=C1CCC(=NO)CO1;LBZQRFAEKJMWNL-UHFFFAOYSA-N;141.17;1.53;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC4_SP1";;;;;;;1.37;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM452512;MM452512;CC#CCCC=CCCN;UIXGHWALHHIURL-UHFFFAOYSA-N;137.23;1.69;;;;;DOPC;MDCG;27;1;"MARTINI bead: C1_Nd";;;;;;;2.91;;-0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM452513;MM452513;ON=C1CCC(=CF)OC1;KMKWSQXIKPSKJT-UHFFFAOYSA-N;145.13;1.44;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP1_SC5";;;;;;;0.81;;-0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM452514;MM452514;CC#CCCC=NOCC;OQJMYSDPIZWTKT-UHFFFAOYSA-N;139.2;1.81;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_C3";;;;;;;2.57;;0.45;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM452515;MM452515;C#CC1CC(CC=C)=NN1;MIOILAHTXGMKKE-UHFFFAOYSA-N;134.18;0.91;;;;;DOPC;MDCG;27;0;"MARTINI bead: SN0_SP1";;;;;;;0.34;;-1.53;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM452516;MM452516;CC#CCNC=NCCC;BZWJBMFUMDAXDA-UHFFFAOYSA-N;138.21;1.04;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_C4";;;;;;;2.2;;-1.37;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM452517;MM452517;NN=C1CCC(=NO)OC1;ROTMZYYSLHUEQS-UHFFFAOYSA-N;143.15;-0.1;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNd_SNda";;;;;;;0.87;;-1.92;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM452518;MM452518;CC#CCN=CNCCN;FGDDVWKMVYAYGY-UHFFFAOYSA-N;139.2;-0.41;;;;;DOPC;MDCG;27;1;"MARTINI bead: C5_P2";;;;;;;0.54;;-2.74;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM452519;MM452519;NN=C1CCC(=NO)CO1;QPJITWNUHSHJGV-UHFFFAOYSA-N;143.15;-0.1;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNda_SP1";;;;;;;0.04;;-2.73;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM452520;MM452520;CC#CCN=CNCCO;WELPVEYZXNJGGW-UHFFFAOYSA-N;140.19;-0.38;;;;;DOPC;MDCG;27;1;"MARTINI bead: C4_P4";;;;;;;0.15;;-3.49;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM452521;MM452521;ON=C1CCC(=NO)OC1;KWIYIACMXCRCOY-UHFFFAOYSA-N;144.13;0.41;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP1_SNda";;;;;;;0.04;;-2.73;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM452522;MM452522;CC#CCNC=NOCC;ACODHZPIGIOYLT-UHFFFAOYSA-N;140.19;0.58;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_Nd";;;;;;;0.87;;-1.88;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM452523;MM452523;CC=C1CNC(=NC)NC1;ASXOIZHVEGMHHW-UHFFFAOYSA-N;139.2;0.11;;;;;DOPC;MDCG;27;1;"MARTINI bead: SP1_SNd";;;;;;;0.04;;-7.02;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM452524;MM452524;CC#CCNN=CCCC;DXGQKMQDNKHIEZ-UHFFFAOYSA-N;138.21;1.39;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_C4";;;;;;;2.97;;0.45;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM452525;MM452525;CC#CCNN=CCCN;XIWQYEAEFUUFQV-UHFFFAOYSA-N;139.2;-0.07;;;;;DOPC;MDCG;27;1;"MARTINI bead: C4_P2";;;;;;;1.09;;-2.75;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM452526;MM452526;CC=C1CNC(=NN)NC1;FQYAZMICQCSXME-UHFFFAOYSA-N;140.19;-0.64;;;;;DOPC;MDCG;27;1;"MARTINI bead: SP1_SP2";;;;;;;-1.06;;-6.76;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM452527;MM452527;C=NNC(=NC)C(C)=CC;AFVODTYZFOJNJY-UHFFFAOYSA-N;139.2;1.19;;;;;DOPC;MDCG;27;0;"MARTINI bead: C2_P1";;;;;;;2;;0.37;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM452528;MM452528;CN=C1NCC(=CF)CN1;BXCZVIGZQNHQIB-UHFFFAOYSA-N;143.17;0.02;;;;;DOPC;MDCG;27;1;"MARTINI bead: SNd_SP2";;;;;;;-0.24;;-7.29;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM452529;MM452529;CC=CC(C#N)NN=CC;HZVITPKGBBGSEL-UHFFFAOYSA-N;137.19;1.05;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_Nd";;;;;;;1.64;;0.02;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM452530;MM452530;NN=C1NCC(=CF)CN1;OKWVBPCILIIBJU-UHFFFAOYSA-N;144.15;-0.74;;;;;DOPC;MDCG;27;1;"MARTINI bead: SP2_SP2";;;;;;;-1.34;;-7.03;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM452531;MM452531;CC=CN(C=N)N=CCF;QLBNXQFJWGGBIW-UHFFFAOYSA-N;143.17;1.38;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_C5";;;;;;;0.81;;-0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM452532;MM452532;CN=C1NCC(=NN)CN1;OEYKBGPHCGHFCV-UHFFFAOYSA-N;141.18;-1.52;;;;;DOPC;MDCG;27;1;"MARTINI bead: SNd_SP3";;;;;;;-1.1;;-7.66;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM452533;MM452533;CC#CCOC=CCCC;ZNHSFLSNFIQYEJ-UHFFFAOYSA-N;138.21;2.34;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4_C4";;;;;;;3.53;;0.53;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM452534;MM452534;NN=C1CNC(=NN)NC1;FFWNWYVUTPAXEF-UHFFFAOYSA-N;142.17;-2.28;;;;;DOPC;MDCG;27;1;"MARTINI bead: SP3_SP2";;;;;;;-2.2;;-7.57;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM452535;MM452535;CC#CCOC=CCCN;XKKJLDFGXGUVFD-UHFFFAOYSA-N;139.2;0.89;;;;;DOPC;MDCG;27;1;"MARTINI bead: Na_Nd";;;;;;;0.87;;-4.64;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM452536;MM452536;CN=C1NCC(=NO)CN1;YRFMFRWAUPDZKR-UHFFFAOYSA-N;142.16;-1;;;;;DOPC;MDCG;27;1;"MARTINI bead: SNd_SP3";;;;;;;-1.1;;-7.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM452537;MM452537;CC#CCOC=CCNC;WATUNHNQPUIEMB-UHFFFAOYSA-N;139.2;0.76;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_Na";;;;;;;0.87;;-3.97;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM452538;MM452538;NN=C1NCC(=NO)CN1;KZGOYYHYCMYLBV-UHFFFAOYSA-N;143.15;-1.76;;;;;DOPC;MDCG;27;1;"MARTINI bead: SP2_SP3";;;;;;;-2.2;;-7.48;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM452539;MM452539;CC#CCOC=COCC;DSKIGMPEXCEXLW-UHFFFAOYSA-N;140.18;1.53;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_C5";;;;;;;1.64;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM452540;MM452540;CN=C1CCC(=NC)NN1;LIDHQZAUJGSPIP-UHFFFAOYSA-N;140.19;-0.07;;;;;DOPC;MDCG;27;1;"MARTINI bead: SP2_SP2";;;;;;;-1.34;;-6.7;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM452541;MM452541;C=COC(C#N)=CNN=C;PSNXRAXMEWPAHM-UHFFFAOYSA-N;137.14;0.72;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_P1";;;;;;;0.81;;-0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM452542;MM452542;CN=C1CCC(=NN)NN1;JPJSLHMBEYKZRM-UHFFFAOYSA-N;141.18;-0.83;;;;;DOPC;MDCG;27;1;"MARTINI bead: SP2_SP2";;;;;;;-1.34;;-6.37;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM452543;MM452543;CC#CCOC=NOCC;DIUAYONMWLTAQV-UHFFFAOYSA-N;141.17;1.01;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_C4";;;;;;;1.37;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM452544;MM452544;CN=C1CCC(=NO)NN1;HHQQKMHELUWJOW-UHFFFAOYSA-N;142.16;-0.31;;;;;DOPC;MDCG;27;1;"MARTINI bead: SP2_SP2";;;;;;;-1.34;;-6.34;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM452545;MM452545;C=COC=CCCC#CC;MPAQYBDWZOTVOX-UHFFFAOYSA-N;136.19;2.46;;;;;DOPC;MDCG;27;0;"MARTINI bead: C3_C5";;;;;;;3.34;;0.48;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM452546;MM452546;ON=C1CCC(=NO)NN1;QCDZJEKDBNJLQR-UHFFFAOYSA-N;144.13;-0.55;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP2_SP2";;;;;;;-1.34;;-4.31;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM452547;MM452547;CC#CCCC=NNC=O;OTMYTDLMABHOMH-UHFFFAOYSA-N;138.17;0.52;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4_P1";;;;;;;1.37;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM452548;MM452548;N#CC=C(N)C#CC1CO1;UTNZEFIJEFICPV-UHFFFAOYSA-N;134.14;-0.25;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nd_SNa";;;;;;;0.87;;-1.88;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM452549;MM452549;CC#CCCC=NOC=O;HBTJHKHXSZTBTA-UHFFFAOYSA-N;139.15;0.95;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4_Na";;;;;;;2.2;;0.34;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM452550;MM452550;CN=c1c(N)c(N)on1N;QHFHXCYUPZRNNF-UHFFFAOYSA-N;143.15;-1.51;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP2_SP1";;;;;;;-1.06;;-3.82;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM452551;MM452551;C=CCNC=NCC#CC;YQPHIWZSHIRRGH-UHFFFAOYSA-N;136.2;0.81;;;;;DOPC;MDCG;27;1;"MARTINI bead: C4_P1";;;;;;;1.37;;-1.37;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM452552;MM452552;C=Nn1ncc(C=O)c1N;GSBOFVADABEVSC-UHFFFAOYSA-N;138.13;-0.26;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP1_SP1";;;;;;;-0.79;;-3.13;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM452553;MM452553;Cn1ncc(=O)c(NN)n1;YHZKJYBSBYBAOD-UHFFFAOYSA-N;141.13;-1.54;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP3_SP2";;;;;;;-2.2;;-5.19;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM452554;MM452554;ON=C1CCC(=NO)ON1;DLVYNLMXXYMQOT-UHFFFAOYSA-N;145.12;-0.12;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP1_SP1";;;;;;;-0.79;;-3.13;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM452555;MM452555;C=CNC=NNCC#CC;YXJORKLTJSVWKO-UHFFFAOYSA-N;137.19;0.28;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_Nd";;;;;;;0.87;;-3.12;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM452556;MM452556;CN=C1CNC(=NO)CN1;WYANFWUPWZNSJL-UHFFFAOYSA-N;142.16;-1;;;;;DOPC;MDCG;27;1;"MARTINI bead: SP2_SP2";;;;;;;-1.34;;-5.93;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM452557;MM452557;CC#CCOC=CCC#N;DPWOXMKODMBUBM-UHFFFAOYSA-N;135.17;1.45;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4_P1";;;;;;;1.37;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM452558;MM452558;CN=C1NCC(=NO)NN1;WWSDYBHGQUWCAH-UHFFFAOYSA-N;143.15;-1.54;;;;;DOPC;MDCG;27;1;"MARTINI bead: SP2_SP3";;;;;;;-2.2;;-7.85;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM452559;MM452559;CC#CCOC=CNC=O;JDVPYNRMVHBSSX-UHFFFAOYSA-N;139.15;0.24;;;;;DOPC;MDCG;27;0;"MARTINI bead: N0_P1";;;;;;;0.34;;-1.53;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM452560;MM452560;Nc1cn(N)c(=O)o1;IWKITWAJIAXHGD-UHFFFAOYSA-N;115.09;-1.26;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP1_SP3";;;;;;;-1.93;;-4.72;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM452561;MM452561;C=COC=COCC#CC;MLCJIUPGAKMSBL-UHFFFAOYSA-N;138.17;1.66;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4_Na";;;;;;;2.2;;0.34;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM452562;MM452562;C#CC1(C)CC=NN1;DRGHXEBYTLAMFG-UHFFFAOYSA-N;108.14;0.36;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP1_SP1";;;;;;;-0.79;;-3.13;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM452563;MM452563;CN=C(C=O)NNCC#N;BEXIXXLIACGYRP-UHFFFAOYSA-N;140.15;-1.17;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_P3";;;;;;;-1.1;;-4.2;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM452564;MM452564;C#CC(C=C)NN=C;MTEYJZGZTKDRRA-UHFFFAOYSA-N;108.14;0.38;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_P1";;;;;;;0.81;;-0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM452565;MM452565;CC#CCOC=NOC=O;MXBRCDXWDJORGY-UHFFFAOYSA-N;141.13;0.14;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4_P2";;;;;;;1.09;;-0.38;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM452566;MM452566;C=NNCC(F)=C(F)F;QCGADKWMRYZLTH-UHFFFAOYSA-N;138.09;1.27;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4_P2";;;;;;;1.09;;-0.38;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM452567;MM452567;C=CCC=NOCC#CC;YLYOMMPOAOYTIE-UHFFFAOYSA-N;137.18;1.59;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_C3";;;;;;;2.57;;0.45;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM452568;MM452568;C#CCC(=O)N(C=N)OC;VYCWLVBEVQRHAS-UHFFFAOYSA-N;140.14;0.01;;;;;DOPC;MDCG;27;0;"MARTINI bead: P3_N0";;;;;;;-0.8;;-2.99;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM452569;MM452569;CCC(=O)C1(C)CN1C;XCSQBDVVMCUBIL-UHFFFAOYSA-N;127.19;0.67;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_SNd";;;;;;;0.87;;-1.88;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM452570;MM452570;CN=C1NNC(=NC)NN1;DERNRBJUYUNCMI-UHFFFAOYSA-N;142.17;-1.84;;;;;DOPC;MDCG;27;1;"MARTINI bead: SP3_SP3";;;;;;;-3.07;;-8.91;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM452571;MM452571;C=COC=NOCC#CC;WVXWXLCIYWJVPN-UHFFFAOYSA-N;139.15;1.13;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4_Na";;;;;;;2.2;;0.34;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM452572;MM452572;CC#CCON=COC=O;GJTPCCYGLUOYRL-UHFFFAOYSA-N;141.13;0.14;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_P1";;;;;;;0.81;;-0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM452573;MM452573;CN=C1NNC(=NN)NN1;AUUSGPXAQASSLN-UHFFFAOYSA-N;143.15;-2.6;;;;;DOPC;MDCG;27;1;"MARTINI bead: SP3_SP4";;;;;;;-3.15;;-9.14;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM452574;MM452574;C#CCC=CCCC#CC;MFBHRUSCYZHYHD-UHFFFAOYSA-N;132.21;2.37;;;;;DOPC;MDCG;27;0;"MARTINI bead: C3_C5";;;;;;;3.34;;0.48;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM452575;MM452575;CN=C1NNC(=NO)NN1;WNNMOKJFRYTHAJ-UHFFFAOYSA-N;144.14;-2.08;;;;;DOPC;MDCG;27;1;"MARTINI bead: SP3_SP4";;;;;;;-3.15;;-8.74;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM452576;MM452576;NN=C1NNC(=NN)NN1;YZBAFKNBDZCFRE-UHFFFAOYSA-N;144.14;-3.35;;;;;DOPC;MDCG;27;1;"MARTINI bead: SP4_SP4";;;;;;;-3.24;;-8.67;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM452577;MM452577;CCNC1=CC(=O)C=N1;MIFVBNZBQAVQPV-UHFFFAOYSA-N;124.14;0.09;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNd_SNa";;;;;;;0.87;;-1.88;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM452578;MM452578;C#CCC=COCC#CC;WTLGTRZSYJDACK-UHFFFAOYSA-N;134.18;1.56;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_C5";;;;;;;1.64;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM452579;MM452579;ON=C1NNC(=NO)NN1;CHBYKOMTOITEHB-UHFFFAOYSA-N;146.11;-2.32;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP4_SP4";;;;;;;-3.24;;-7.51;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM452580;MM452580;C#CCC=NOCC#CC;UCMFLKKJRGFXCE-UHFFFAOYSA-N;135.17;1.04;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_N0";;;;;;;1.94;;0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM452581;MM452581;CCON=CC(=O)CC;WIQPWSHYVAORKF-UHFFFAOYSA-N;129.16;0.99;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_Na";;;;;;;0.87;;-2.22;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM452582;MM452582;CC#CCCC=CC=CC;NIMKZSNYWFMKTG-UHFFFAOYSA-N;134.22;2.92;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1_C4";;;;;;;4.24;;0.42;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM452583;MM452583;CCC1C=CC(CC)CC1;RTYSMRNFUBYFIS-UHFFFAOYSA-N;138.25;3.39;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC1_SC1";;;;;;;4.95;;0.69;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM452584;MM452584;CC#CCN=CC=CNN;HAGWCCREDGMNAJ-UHFFFAOYSA-N;137.19;0.06;;;;;DOPC;MDCG;27;1;"MARTINI bead: C4_P2";;;;;;;1.09;;-1.43;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM452585;MM452585;Cc1c(N)oc(=O)n1N;SZBGDCNLNHJSEP-UHFFFAOYSA-N;129.12;-0.95;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNd_SP3";;;;;;;-1.1;;-3.93;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM452586;MM452586;CC#CCNC=NC=NO;NSAQQDYNJIEQQC-UHFFFAOYSA-N;139.16;0.05;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4_P2";;;;;;;1.09;;-0.38;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM452587;MM452587;CCC1C=CC(OC)CC1;ZGAADFJPUHVVIN-UHFFFAOYSA-N;140.23;2.38;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC1_SC5";;;;;;;3.68;;0.46;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM452588;MM452588;C#CC1ON=C(NN)O1;UICJJKQZPRFCJN-UHFFFAOYSA-N;127.1;-1.27;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP2_SNa";;;;;;;-0.24;;-3.24;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM452589;MM452589;COC1C=CC(CN)CC1;OWZWKRDQUWSDEO-UHFFFAOYSA-N;141.21;0.93;;;;;DOPC;MDCG;27;1;"MARTINI bead: SC5_SC5";;;;;;;2.41;;-0.46;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM452590;MM452590;CC#CCOC=CC=NN;IVBKIDCRRXJWRD-UHFFFAOYSA-N;138.17;0.48;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_Nd";;;;;;;1.64;;0.02;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM452591;MM452591;NC1=CC(=O)C(=O)C=N1;UZBNGQQSNGDGAC-UHFFFAOYSA-N;124.1;-0.99;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNd_SP1";;;;;;;0.04;;-2.63;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM452592;MM452592;CC#CCOC=NN=CC;LCGUNWNUQOFMBP-UHFFFAOYSA-N;138.17;1.06;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_C4";;;;;;;2.2;;0.34;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM452593;MM452593;CNC1C=CC(OC)CC1;YZRPQTMMFAGGPA-UHFFFAOYSA-N;141.21;0.94;;;;;DOPC;MDCG;27;1;"MARTINI bead: SNd_SC5";;;;;;;1.64;;-2.37;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM452594;MM452594;CNCC(F)(F)C(=N)NN;LMAJOEQREMAUSS-UHFFFAOYSA-N;152.15;-0.72;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_P1";;;;;;;-0.79;;-3.13;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM452595;MM452595;COC1C=CC(OC)CC1;CCAYAWISXRRYIH-UHFFFAOYSA-N;142.2;1.37;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC5_SC5";;;;;;;2.41;;0.64;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM452596;MM452596;CC#CC=CCCC#CC;LWSVFMAAUJUVPC-UHFFFAOYSA-N;132.21;2.37;;;;;DOPC;MDCG;27;0;"MARTINI bead: C3_C4";;;;;;;3.9;;0.47;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM452597;MM452597;CCC1C=CC(CC)NC1;DDASPAXYXICDSF-UHFFFAOYSA-N;139.24;1.95;;;;;DOPC;MDCG;27;1;"MARTINI bead: SC5_SC5";;;;;;;2.41;;-0.53;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM452598;MM452598;C=C(CC=NNC)C(C)=O;LNXQTISIZKFAAE-UHFFFAOYSA-N;140.19;0.73;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nd_Na";;;;;;;0.87;;-1.88;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM452599;MM452599;CCC1C=CC(CN)NC1;KPSHOOYYKAYHKI-UHFFFAOYSA-N;140.23;0.5;;;;;DOPC;MDCG;27;1;"MARTINI bead: SC5_SP1";;;;;;;0.81;;-2.91;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM452600;MM452600;CC#CC=COCC#CC;LBECQLWXWPGIDB-UHFFFAOYSA-N;134.18;1.56;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_C4";;;;;;;2.97;;0.45;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM452601;MM452601;CCC1C=CC(CO)NC1;GXBJCBKABCLRMW-UHFFFAOYSA-N;141.21;0.53;;;;;DOPC;MDCG;27;1;"MARTINI bead: SC5_SP1";;;;;;;0.81;;-2.59;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM452602;MM452602;CC#CC=NOCC#CC;HEKAWJINTMADPW-UHFFFAOYSA-N;135.17;1.04;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_C4";;;;;;;2.2;;0.34;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM452603;MM452603;CCC1C=CC(CF)NC1;ZYKDGFRBUOKKQS-UHFFFAOYSA-N;143.21;1.51;;;;;DOPC;MDCG;27;1;"MARTINI bead: SC5_SNda";;;;;;;1.64;;-1.04;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM452604;MM452604;CCC=CCC=CCCC;GGQQNYXPYWCUHG-UHFFFAOYSA-N;138.25;3.7;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1_C1";;;;;;;4.95;;0.69;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM452605;MM452605;CNC1C=CC(CF)NC1;ILXFWWKXZLXZQU-UHFFFAOYSA-N;144.19;0.07;;;;;DOPC;MDCG;27;1;"MARTINI bead: SP1_SNda";;;;;;;0.04;;-4.23;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM452606;MM452606;CCC=CCC=CCCN;AKDRMUJXLOXXNJ-UHFFFAOYSA-N;139.24;2.25;;;;;DOPC;MDCG;27;1;"MARTINI bead: C1_Nd";;;;;;;2.91;;-0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM452607;MM452607;CCC1C=CC(CN)OC1;CJZJIUZOGRZESZ-UHFFFAOYSA-N;141.21;0.93;;;;;DOPC;MDCG;27;1;"MARTINI bead: SC5_SNda";;;;;;;1.64;;-1.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM452608;MM452608;CCC=CCC=CCCO;PICGPEBVZGCYBV-UHFFFAOYSA-N;140.23;2.28;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1_Nda";;;;;;;2.91;;0.57;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM452609;MM452609;CCC1C=CC(NC)CO1;QEFBKQWNMGXNMG-UHFFFAOYSA-N;141.21;0.94;;;;;DOPC;MDCG;27;1;"MARTINI bead: SC5_SP1";;;;;;;0.81;;-2.12;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM452610;MM452610;CCC=CCC=CCCF;QICNRXGCJDVRNN-UHFFFAOYSA-N;142.22;3.26;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1_C4";;;;;;;4.24;;0.42;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM452611;MM452611;CCC1C=CC(OC)CO1;YKXVBRHGIRGUFJ-UHFFFAOYSA-N;142.2;1.37;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC5_SNa";;;;;;;1.64;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM452612;MM452612;CCCC=CCC=CCN;XHOFVDBMFWPQJH-UHFFFAOYSA-N;139.24;2.25;;;;;DOPC;MDCG;27;1;"MARTINI bead: C1_C5";;;;;;;3.68;;0.6;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM452613;MM452613;CCN1CCC(CN)C=N1;OACNFBDCGFGFRN-UHFFFAOYSA-N;141.22;0.27;;;;;DOPC;MDCG;27;1;"MARTINI bead: SN0_SP1";;;;;;;0.34;;-3.95;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM452614;MM452614;NCC=CCC=CCCN;GEJNJGGNYDBABD-UHFFFAOYSA-N;140.23;0.8;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_Nd";;;;;;;0.87;;-5;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM452615;MM452615;CCN1CCN(OC)C=N1;PXFZNXILWSVRSS-UHFFFAOYSA-N;143.19;0.13;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP2_SP2";;;;;;;-1.34;;-4.31;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM452616;MM452616;CCC=CCC=CCNC;GJFYCRQYVRFIMT-UHFFFAOYSA-N;139.24;2.12;;;;;DOPC;MDCG;27;1;"MARTINI bead: C1_Nd";;;;;;;2.91;;-0.15;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM452617;MM452617;CON=c1onc(N)o1;IARMHXUZFDLZIF-UHFFFAOYSA-N;131.09;-0.69;;;;;DOPC;MDCG;27;0;"MARTINI bead: P3_SP3";;;;;;;-3.07;;-6.15;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM452618;MM452618;CNCC=CCC=CCN;ONFBYDLABRGAHS-UHFFFAOYSA-N;140.23;0.67;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_Nd";;;;;;;0.87;;-4.71;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM452619;MM452619;C=CC1C=CC(OC)CC1;DSQRCBFLMGCJOP-UHFFFAOYSA-N;138.21;2.15;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC5_SC2";;;;;;;3.6;;0.34;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM452620;MM452620;CNCC=CCC=CCO;ZGIBNHALMUCXOI-UHFFFAOYSA-N;141.21;0.7;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_Nda";;;;;;;0.87;;-4.25;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM452621;MM452621;COC1C=CC(C=O)CC1;RZFLBRDTJLDFTL-UHFFFAOYSA-N;140.18;1.17;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC5_SNa";;;;;;;1.64;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM452622;MM452622;CCC=CCC=COCC;DCDBJEVHMUUMSG-UHFFFAOYSA-N;140.23;2.89;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_C1";;;;;;;3.68;;0.46;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM452623;MM452623;C=CC1C=CC(CC)CN1;DWJDJZFEWDXANU-UHFFFAOYSA-N;137.23;1.73;;;;;DOPC;MDCG;27;1;"MARTINI bead: SC5_SNd";;;;;;;1.64;;-1.92;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM452624;MM452624;CCOC=CCC=CCN;DUTDERNOVPXLSE-UHFFFAOYSA-N;141.21;1.44;;;;;DOPC;MDCG;27;1;"MARTINI bead: C5_Nd";;;;;;;1.64;;-2.14;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM452625;MM452625;CCC1C=CC(C=O)OC1;LOGTUVBSLWWVCU-UHFFFAOYSA-N;140.18;1.17;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC5_SNa";;;;;;;1.64;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM452626;MM452626;CCCC=CCC=NNC;JRXUIKLIYHPMBZ-UHFFFAOYSA-N;140.23;1.94;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1_Nd";;;;;;;2.91;;0.63;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM452627;MM452627;C=CC1C=CC(CN)NC1;RFQZCYDPLQJUSJ-UHFFFAOYSA-N;138.21;0.28;;;;;DOPC;MDCG;27;1;"MARTINI bead: SP1_SN0";;;;;;;0.34;;-3.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM452628;MM452628;CCCC=CCC=NOC;HUACNNNBZMWDAJ-UHFFFAOYSA-N;141.21;2.37;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1_Na";;;;;;;2.91;;0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM452629;MM452629;CCOC=CCC=NOC;UESCAIVNUUWCPE-UHFFFAOYSA-N;143.19;1.56;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_Na";;;;;;;1.64;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM452630;MM452630;CCC1C=CC(C=O)CO1;CTLHQBLNRKVPIE-UHFFFAOYSA-N;140.18;1.17;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC5_SNa";;;;;;;1.64;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM452631;MM452631;CCC=CCC=NNCC;JFEXYRFDDWNCGW-UHFFFAOYSA-N;140.23;1.94;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_C1";;;;;;;2.08;;0.48;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM452632;MM452632;CCC1C=CN(C=N)CC1;VQSGTGICENSJQD-UHFFFAOYSA-N;138.21;1.84;;;;;DOPC;MDCG;27;1;"MARTINI bead: SC5_SNd";;;;;;;1.64;;-3.64;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM452633;MM452633;CC(=O)C(=N)N(C)CC#N;UJOHTIVHEZWHRG-UHFFFAOYSA-N;139.16;0.01;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_Na";;;;;;;0.04;;-2.54;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM452634;MM452634;N=CN1C=CC(CN)CC1;JJILWDOWVCYGJL-UHFFFAOYSA-N;139.2;0.39;;;;;DOPC;MDCG;27;1;"MARTINI bead: SP1_SNd";;;;;;;0.04;;-6.37;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM452635;MM452635;CCC=CCC=NOCC;YLCPJZXHTZFOLO-UHFFFAOYSA-N;141.21;2.37;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_C1";;;;;;;2.91;;0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM452636;MM452636;NCC1C=CN(C=O)CC1;AZCQQIFGXFCBSM-UHFFFAOYSA-N;140.19;-0.06;;;;;DOPC;MDCG;27;1;"MARTINI bead: SP1_SNda";;;;;;;0.04;;-5.19;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM452637;MM452637;C#CC(C)NN=C(C)C#N;CMUFRIGVXNQIQC-UHFFFAOYSA-N;135.17;0.5;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_P2";;;;;;;0.54;;-1.09;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM452638;MM452638;O=CN1C=CC(CO)CC1;SYISUHIGFLUQAL-UHFFFAOYSA-N;141.17;-0.03;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP1_SNda";;;;;;;0.04;;-2.73;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM452639;MM452639;CCON=CCC=CCF;TVXXEIPQKWTWAN-UHFFFAOYSA-N;145.18;1.92;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_C4";;;;;;;2.2;;0.34;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM452640;MM452640;N=CN1C=CC(CF)CC1;USGGVPWTTHQKEC-UHFFFAOYSA-N;142.18;1.4;;;;;DOPC;MDCG;27;1;"MARTINI bead: SNa_SNd";;;;;;;0.87;;-5.6;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM452641;MM452641;CCON=CCC=COC;AUUHCVQQHWKXLJ-UHFFFAOYSA-N;143.19;1.56;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_C5";;;;;;;1.64;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM452642;MM452642;CNC1C=CN(C=N)CC1;CNLXOHQELAVVBV-UHFFFAOYSA-N;139.2;0.4;;;;;DOPC;MDCG;27;1;"MARTINI bead: SP2_SNd";;;;;;;-0.24;;-6.71;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM452643;MM452643;CCON=CCC=NNC;MVJBRLIVECJIDF-UHFFFAOYSA-N;143.19;0.6;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_Nd";;;;;;;0.87;;-1.88;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM452644;MM452644;COC1C=CN(C=O)CC1;WLIUFKAFIVCXKG-UHFFFAOYSA-N;141.17;0.38;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNa_SNda";;;;;;;0.87;;-1.99;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM452645;MM452645;CCON=CCC=NOC;SQOYNSHBRZZYTP-UHFFFAOYSA-N;144.17;1.03;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_Na";;;;;;;0.87;;-2.22;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM452646;MM452646;NCC1C=NN(C=O)CC1;RZCCRCBQOWLUDQ-UHFFFAOYSA-N;141.17;-0.59;;;;;DOPC;MDCG;27;1;"MARTINI bead: SP1_SP1";;;;;;;-0.79;;-5.26;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM452647;MM452647;CCCC=CN=CNCC;VVALHDCILKZHMJ-UHFFFAOYSA-N;140.23;1.94;;;;;DOPC;MDCG;27;1;"MARTINI bead: C1_P2";;;;;;;1.8;;-2.35;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM452648;MM452648;C=CC1=NC(N)=CC1=O;BQWWYGKHFRRPNV-UHFFFAOYSA-N;122.13;;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNd_SNa";;;;;;;0.87;;-1.88;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM452649;MM452649;CCCC=CN=CNNC;OKIKRLGXJARUEB-UHFFFAOYSA-N;141.22;1.05;;;;;DOPC;MDCG;27;1;"MARTINI bead: C1_P4";;;;;;;0.85;;-2.45;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM452650;MM452650;COC1C=NN(C=O)CC1;DCVSOIVKOXDNHO-UHFFFAOYSA-N;142.16;-0.15;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP1_SP1";;;;;;;-0.79;;-3.13;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM452651;MM452651;CON=CNC=CCCN;QPHWSRDIPOJVAN-UHFFFAOYSA-N;143.19;0.03;;;;;DOPC;MDCG;27;1;"MARTINI bead: P2_Nd";;;;;;;-0.24;;-5.61;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM452652;MM452652;CCC1C=CN(C=N)NC1;UNJRGWATSZLVQE-UHFFFAOYSA-N;139.2;0.95;;;;;DOPC;MDCG;27;1;"MARTINI bead: SP1_SP2";;;;;;;-1.06;;-6.4;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM452653;MM452653;CCNC=NC=COCC;NOXVSZMYFZFCIH-UHFFFAOYSA-N;142.2;1.13;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_Na";;;;;;;0.87;;-4.23;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM452654;MM452654;CCC1C=CN(C=O)NC1;FMGXUZCOYJFZOL-UHFFFAOYSA-N;140.19;0.5;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP1_SP1";;;;;;;-0.79;;-3.13;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM452655;MM452655;CCC=CN=CNCCO;KKOTUHWTHANGCS-UHFFFAOYSA-N;142.2;0.52;;;;;DOPC;MDCG;27;1;"MARTINI bead: C3_P4";;;;;;;0.52;;-4.25;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM452656;MM452656;N=CN1C=CC(CN)CN1;XBPXKTWCGBYXCV-UHFFFAOYSA-N;140.19;-0.5;;;;;DOPC;MDCG;27;1;"MARTINI bead: SP3_SP2";;;;;;;-2.2;;-7.84;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM452657;MM452657;NCCN=CNC=CCO;ZXGYVUYKNFBVHA-UHFFFAOYSA-N;143.19;-0.93;;;;;DOPC;MDCG;27;1;"MARTINI bead: P2_P2";;;;;;;-1.34;;-6.86;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM452658;MM452658;O=CN1C=CC(CF)CN1;PJQHMMCZSNJFGV-UHFFFAOYSA-N;144.15;0.06;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP2_SP1";;;;;;;-1.06;;-3.82;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM452659;MM452659;OCCN=CNC=CCF;VEONMEPPMWQRPV-UHFFFAOYSA-N;146.17;0.08;;;;;DOPC;MDCG;27;1;"MARTINI bead: P2_Nda";;;;;;;-0.24;;-5.55;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM452660;MM452660;C=CN1C=NC(CC)CC1;MFWCKKPMZGUWQX-UHFFFAOYSA-N;138.21;1.64;;;;;DOPC;MDCG;27;1;"MARTINI bead: SN0_SNd";;;;;;;1.17;;-3.56;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM452661;MM452661;COC=CN=CNCCN;KJQYQBOLMHQIKE-UHFFFAOYSA-N;143.19;-0.32;;;;;DOPC;MDCG;27;1;"MARTINI bead: Na_P4";;;;;;;-1.19;;-6.68;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM452662;MM452662;C=CN1C=NC(CN)CC1;JTENPAZESLYQOL-UHFFFAOYSA-N;139.2;0.19;;;;;DOPC;MDCG;27;1;"MARTINI bead: SP2_SNd";;;;;;;-0.24;;-5.39;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM452663;MM452663;COC=CN=CNCCO;SLDGRYCVDMAPKR-UHFFFAOYSA-N;144.17;-0.29;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1_P2";;;;;;;-1.06;;-5.54;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM452664;MM452664;N=CN1C=NC(CN)CC1;ADARUVBPUXGFRP-UHFFFAOYSA-N;140.19;-0.35;;;;;DOPC;MDCG;27;1;"MARTINI bead: SP2_SP1";;;;;;;-1.06;;-5.42;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM452665;MM452665;CCC=CNC=NOCC;UUARWUKZCLKDPW-UHFFFAOYSA-N;142.2;1.48;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_C5";;;;;;;0.81;;-0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM452666;MM452666;NCC1CCN(C=O)C=N1;YILDTBSICNZIQY-UHFFFAOYSA-N;141.17;-0.8;;;;;DOPC;MDCG;27;1;"MARTINI bead: SP2_SP2";;;;;;;-1.34;;-6.08;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM452667;MM452667;C#CC1(C)ON=C(NN)O1;PBICGBVNTWGUDB-UHFFFAOYSA-N;141.13;-0.88;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNa_SP2";;;;;;;-0.24;;-3.24;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM452668;MM452668;C=NN1C=NC(CC)CC1;RNVWIAPOLBQXSN-UHFFFAOYSA-N;139.2;1.11;;;;;DOPC;MDCG;27;0;"MARTINI bead: SN0_SP1";;;;;;;0.34;;-1.53;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM452669;MM452669;CCC1(C#N)CC(C)=NN1;PMZDSMOYWQIIGK-UHFFFAOYSA-N;137.19;1.03;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNd_SP1";;;;;;;0.04;;-2.63;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM452670;MM452670;C#CC1CN(C=N)C1=O;YYUJUYUEQACZQU-UHFFFAOYSA-N;122.13;-0.31;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP2_SP2";;;;;;;-1.34;;-4.31;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM452671;MM452671;N=c1onc(N)c(=O)n1N;ALOVZJQUJHVCQH-UHFFFAOYSA-N;143.11;-2.39;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP4_SP2";;;;;;;-2.29;;-5.95;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM452672;MM452672;C=CN1C=NC(CC)CN1;AIBBNDYLOLWQPC-UHFFFAOYSA-N;139.2;0.76;;;;;DOPC;MDCG;27;1;"MARTINI bead: SP1_SP2";;;;;;;-1.06;;-4.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM452673;MM452673;Nc1c(N)n(N)cnc1=O;QAQYXCDHAYGZLQ-UHFFFAOYSA-N;141.13;-1.88;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP1_SP3";;;;;;;-1.93;;-4.72;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM452674;MM452674;CCC1CNN(C=O)C=N1;RQJPEQQWEPMIPE-UHFFFAOYSA-N;141.17;-0.23;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP1_SP2";;;;;;;-1.06;;-3.82;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM452675;MM452675;C#CC(C=O)NC1CC1F;XXVDFZNOGVAGHN-UHFFFAOYSA-N;141.15;-0.11;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP1_Na";;;;;;;0.04;;-2.54;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM452676;MM452676;C=NNCC1CC1C#N;JEXLPZLCCGBXDL-UHFFFAOYSA-N;123.16;0.35;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_SN0";;;;;;;0.06;;-2.21;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM452677;MM452677;C=CC1=NNC(C#N)C1C;GAXIHRBFLWVHPE-UHFFFAOYSA-N;135.17;0.66;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP1_SP1";;;;;;;-0.79;;-3.13;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM452678;MM452678;C=CC1CCN(CC)C=N1;YWNFRZOFODTJNA-UHFFFAOYSA-N;138.21;1.29;;;;;DOPC;MDCG;27;1;"MARTINI bead: SNd_SN0";;;;;;;1.17;;-3.5;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM452679;MM452679;CNN=CNN=CCCN;KYOZZNCAQOGODW-UHFFFAOYSA-N;143.19;-0.93;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_P2";;;;;;;-0.24;;-5.28;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM452680;MM452680;CCN1C=NN(C=O)CC1;JIKUXGGVJLYYNH-UHFFFAOYSA-N;141.17;-0.28;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP1_SP2";;;;;;;-1.06;;-3.82;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM452681;MM452681;C#CCCNN=CCC#N;XNAPJZIWVQCEPS-UHFFFAOYSA-N;135.17;0.5;;;;;DOPC;MDCG;27;0;"MARTINI bead: N0_Nd";;;;;;;1.17;;-1.04;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM452682;MM452682;CNN1C=NN(C=N)CC1;KCXLPFFWRHXEBU-UHFFFAOYSA-N;141.18;-0.71;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP2_SP3";;;;;;;-2.2;;-5.19;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM452683;MM452683;CCC1CN=C(C=O)NN1;LUZBQJRHDABIBV-UHFFFAOYSA-N;141.17;-0.53;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP1_SP2";;;;;;;-1.06;;-3.82;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM452684;MM452684;CON1C=NN(C=N)CC1;YNXZQAAVNSMIJT-UHFFFAOYSA-N;142.16;-0.28;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP2_SP3";;;;;;;-2.2;;-5.19;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM452685;MM452685;COCCC(=O)C(=N)N;YWHLRBMASAYAIA-UHFFFAOYSA-N;130.15;-0.47;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_P2";;;;;;;-1.06;;-3.82;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM452686;MM452686;CON1C=NN(C=O)CC1;DZFJHJSJPQPBFU-UHFFFAOYSA-N;143.15;-0.73;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP2_SP2";;;;;;;-1.34;;-4.31;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM452687;MM452687;N#CC1C=CC(C=O)N1;GRJDUFPQBXMVKA-UHFFFAOYSA-N;122.13;-0.39;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP2_SP1";;;;;;;-1.06;;-3.82;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM452688;MM452688;CCC=COC=CCCC;RGARGYYOSFQGBX-UHFFFAOYSA-N;140.23;3.24;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1_C5";;;;;;;3.68;;0.46;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM452689;MM452689;C=NN1C=NN(CC)CC1;WGBCZOVWBYXGGF-UHFFFAOYSA-N;140.19;0.18;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP2_SP2";;;;;;;-1.34;;-4.31;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM452690;MM452690;C=CC1C=CC(C=C)CC1;MNYVEYKAXZHTHX-UHFFFAOYSA-N;134.22;2.94;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC2_SC2";;;;;;;4.78;;0.59;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM452691;MM452691;CCC=COC=CCCN;AIBFESUCQDLYAG-UHFFFAOYSA-N;141.21;1.79;;;;;DOPC;MDCG;27;1;"MARTINI bead: C3_P1";;;;;;;1.74;;-2.08;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM452692;MM452692;CCCC=COC=CCO;HFQUHJWIMRTSNG-UHFFFAOYSA-N;142.2;1.82;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1_P2";;;;;;;1.8;;0.4;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM452693;MM452693;C=CC1C=CC(C#N)CC1;CDUQRKRVMJAXLK-UHFFFAOYSA-N;133.19;2.28;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC2_SC5";;;;;;;3.6;;0.34;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM452694;MM452694;CCC=COC=CCOC;DTCHXRXLAHCQEU-UHFFFAOYSA-N;142.2;2.09;;;;;DOPC;MDCG;27;0;"MARTINI bead: C3_P1";;;;;;;1.74;;0.29;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM452695;MM452695;C#CCNN=CC1CN1;JQGQXEQPHMQQLO-UHFFFAOYSA-N;123.16;-0.83;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_SP2";;;;;;;-1.06;;-3.82;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM452696;MM452696;COCC=COC=CCO;SIERFJUXCBWAGP-UHFFFAOYSA-N;144.17;0.67;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_Nda";;;;;;;0.87;;-1.99;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM452697;MM452697;C=CC1C=CC(C=O)CO1;DEOZWFZKUYHUGU-UHFFFAOYSA-N;138.17;0.94;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC5_SNa";;;;;;;1.64;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM452698;MM452698;CCCC=COC=COC;OHVZOZPKVUFKBE-UHFFFAOYSA-N;142.2;2.43;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4_Na";;;;;;;2.2;;0.34;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM452699;MM452699;C=CC1C=CN(C=O)CC1;OPUFHHOVDYQAHR-UHFFFAOYSA-N;137.18;1.16;;;;;DOPC;MDCG;27;0;"MARTINI bead: SN0_SNda";;;;;;;1.17;;-1.13;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM452700;MM452700;COC=COC=CCCN;BZQMUZKKPUIFBQ-UHFFFAOYSA-N;143.19;0.98;;;;;DOPC;MDCG;27;1;"MARTINI bead: Na_Nd";;;;;;;0.87;;-4.64;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM452701;MM452701;N=CN1C=CC(C=O)CC1;ZQBGKQRZQCKILI-UHFFFAOYSA-N;138.17;0.63;;;;;DOPC;MDCG;27;1;"MARTINI bead: SNd_SP2";;;;;;;-0.24;;-6.78;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM452702;MM452702;COC=COC=CCCO;OJOMDXPTPOWJKN-UHFFFAOYSA-N;144.17;1.02;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_Nda";;;;;;;0.87;;-1.99;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM452703;MM452703;N=CN1CCC(C=O)C=N1;GAQNWBSIUDRUQE-UHFFFAOYSA-N;139.16;0.1;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP1_SP1";;;;;;;-0.79;;-3.13;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM452704;MM452704;CNCC=COC=COC;SMHXTBLHYNQTFX-UHFFFAOYSA-N;143.19;0.85;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_Na";;;;;;;0.87;;-3.97;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM452705;MM452705;N=CN1C=CC(C=O)CN1;YLSVTXAPFHKOSH-UHFFFAOYSA-N;139.16;-0.26;;;;;DOPC;MDCG;27;1;"MARTINI bead: SP2_SP2";;;;;;;-1.34;;-6.83;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM452706;MM452706;COC=COC=CCOC;RREOTLMKQGMJQL-UHFFFAOYSA-N;144.17;1.28;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_Na";;;;;;;0.87;;-2.22;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM452707;MM452707;C=CC1CCN(C=C)C=N1;BNRWDLLWPABLOS-UHFFFAOYSA-N;136.2;1.42;;;;;DOPC;MDCG;27;1;"MARTINI bead: SN0_SNd";;;;;;;1.17;;-3.07;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM452708;MM452708;CCOC=COC=CCN;FMVCSINNIAAGJZ-UHFFFAOYSA-N;143.19;0.98;;;;;DOPC;MDCG;27;1;"MARTINI bead: C5_P1";;;;;;;0.81;;-2.66;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM452709;MM452709;C=CC1CCN(C=N)C=N1;CJEPKNALXVPVNT-UHFFFAOYSA-N;137.19;0.88;;;;;DOPC;MDCG;27;1;"MARTINI bead: SN0_SP1";;;;;;;0.34;;-3.02;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM452710;MM452710;CCOC=COC=CCO;KEQYCTFHUWVLSX-UHFFFAOYSA-N;144.17;1.02;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_Nda";;;;;;;0.87;;-1.99;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM452711;MM452711;N=CN1C=NC(C=O)CC1;KAXWHTVRFVCKCU-UHFFFAOYSA-N;139.16;-0.11;;;;;DOPC;MDCG;27;1;"MARTINI bead: SP1_SP2";;;;;;;-1.06;;-5.28;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM452712;MM452712;C=NN1CC1C(=O)CC;WXLZCEWWPBYFOU-UHFFFAOYSA-N;126.16;0.27;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_SP2";;;;;;;-0.24;;-3.24;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM452713;MM452713;C#CCNN=CC(C)(C)F;DRTSXMXSZJUVIF-UHFFFAOYSA-N;142.18;0.94;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_P1";;;;;;;0.81;;-0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM452714;MM452714;C=CC1CCN(N=C)C=N1;KLTKDSYSHVEMPM-UHFFFAOYSA-N;137.19;0.89;;;;;DOPC;MDCG;27;0;"MARTINI bead: SN0_SP1";;;;;;;0.34;;-1.53;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM452715;MM452715;CNCC=COC=NNC;NLFFQPDKBKBXNI-UHFFFAOYSA-N;143.19;-0.1;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_P1";;;;;;;0.04;;-4.72;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM452716;MM452716;N=CN1C=CN(C=N)CC1;MHJZHQZLDGIIDT-UHFFFAOYSA-N;138.17;0.29;;;;;DOPC;MDCG;27;1;"MARTINI bead: SP2_SP2";;;;;;;-1.34;;-7.6;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM452717;MM452717;CCCC=COC=NOC;XMANCUFCWWTVAW-UHFFFAOYSA-N;143.19;1.91;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4_P1";;;;;;;1.37;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM452718;MM452718;N=CN1C=CN(C=O)CC1;BSVVGNZFBJCFCX-UHFFFAOYSA-N;139.16;-0.16;;;;;DOPC;MDCG;27;1;"MARTINI bead: SP2_SP2";;;;;;;-1.34;;-7.28;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM452719;MM452719;CNN=C(C)C(F)(F)C#N;PUONVSXGSKWTBS-UHFFFAOYSA-N;147.13;0.74;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nd_N0";;;;;;;1.17;;-1.04;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM452720;MM452720;O=CN1C=CN(C=O)CC1;CTPFVRZFEOOUNC-UHFFFAOYSA-N;140.14;-0.61;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP2_SP2";;;;;;;-1.34;;-4.31;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM452721;MM452721;COCC=COC=NOC;QIMVGSLHAGMRLZ-UHFFFAOYSA-N;145.16;0.75;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_Na";;;;;;;0.87;;-2.22;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM452722;MM452722;C=CN1C=NN(C=O)CC1;UOFDPNRBRFAREA-UHFFFAOYSA-N;139.16;-0.15;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP1_SP2";;;;;;;-1.06;;-3.82;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM452723;MM452723;CC(CC(F)=C(C)C)=NN;UHLVKSWFZOADOB-UHFFFAOYSA-N;144.19;1.97;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4_Nd";;;;;;;2.2;;0.32;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM452724;MM452724;N=CN1CCN(C=O)C=N1;MKEBNKMPOYOVMR-UHFFFAOYSA-N;140.15;-0.69;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP3_SP2";;;;;;;-2.2;;-5.19;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM452725;MM452725;O=CN1C=NN(C=O)CC1;WXBGKNJBNSVKGV-UHFFFAOYSA-N;141.13;-1.14;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP2_SP2";;;;;;;-1.34;;-4.31;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM452726;MM452726;CCOC=COC=NOC;XBCQVHXRHVXGAE-UHFFFAOYSA-N;145.16;1.1;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_Na";;;;;;;0.87;;-2.22;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM452727;MM452727;C=NN1C=NN(C=N)CC1;DMDFVFWNYYPCHF-UHFFFAOYSA-N;139.16;-0.23;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP2_SP3";;;;;;;-2.2;;-5.19;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM452728;MM452728;CC(=O)C=CCNCC#N;QWHYJNCTVFUXMX-UHFFFAOYSA-N;138.17;0.24;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_P2";;;;;;;-0.24;;-3.24;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM452729;MM452729;CCON=COC=CCF;CYQSQPMSALHZDE-UHFFFAOYSA-N;147.15;1.47;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_Na";;;;;;;0.87;;-2.22;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM452730;MM452730;C=NN1C=NN(C=O)CC1;VVXSCPMOAVEWPD-UHFFFAOYSA-N;140.15;-0.68;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP2_SP2";;;;;;;-1.34;;-4.31;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM452731;MM452731;CC=C1C=CC(CC)CC1;ZSVZMXVCYSQHGU-UHFFFAOYSA-N;136.24;3.31;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC1_SC2";;;;;;;4.87;;0.53;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM452732;MM452732;CCON=COC=COC;QZAXTRHBPLAXFY-UHFFFAOYSA-N;145.16;1.1;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_Na";;;;;;;1.64;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM452733;MM452733;C=NOC(=NCC)NOC;CNRNUPGRWKHGLE-UHFFFAOYSA-N;145.16;0.15;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_P2";;;;;;;0.54;;-1.09;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM452734;MM452734;CC=C1C=CC(CN)CC1;SZEDZAQSWWYNPU-UHFFFAOYSA-N;137.23;1.86;;;;;DOPC;MDCG;27;1;"MARTINI bead: SC2_SC5";;;;;;;3.6;;0.56;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM452735;MM452735;CCC=NOC=NOCC;XVPHIRRUJDDOGI-UHFFFAOYSA-N;144.17;1.38;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_Na";;;;;;;0.87;;-2.22;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM452736;MM452736;NCC1C=CC(=CF)CC1;BMZURASRNMIACW-UHFFFAOYSA-N;141.19;1.76;;;;;DOPC;MDCG;27;1;"MARTINI bead: SC5_SC4";;;;;;;2.97;;-0.04;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM452737;MM452737;CNN=CON=CCCN;PRXJLWBOGBXGMQ-UHFFFAOYSA-N;144.18;-0.5;;;;;DOPC;MDCG;27;1;"MARTINI bead: P2_Nd";;;;;;;-0.24;;-5.56;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM452738;MM452738;COC1=NC(C)(C)C(=N)N1;ZKUZOCHFLJDXFN-UHFFFAOYSA-N;141.17;0.35;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP1_SP1";;;;;;;-0.79;;-3.13;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM452739;MM452739;CC1=CC(=O)N(C)N(C)C1;WRVHAHWUSJBHPT-UHFFFAOYSA-N;140.19;0.25;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP1_SP1";;;;;;;-0.79;;-3.13;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM452740;MM452740;C=NNC(C)CC(=C)C#N;RBXIHBPOHZOPBJ-UHFFFAOYSA-N;137.19;1.05;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nd_N0";;;;;;;1.17;;-1.04;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM452741;MM452741;CNCC=NOC=NNC;GINYJPWJPDCWFL-UHFFFAOYSA-N;144.18;-0.63;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_P2";;;;;;;-0.24;;-4.29;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM452742;MM452742;C#CC(C=C(C)C)NN=C;ILCADTKRLDQBHT-UHFFFAOYSA-N;136.2;1.16;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4_P1";;;;;;;1.37;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM452743;MM452743;C=CC(C)(C#N)NN=CC;LHWBQYDVLDJOQP-UHFFFAOYSA-N;137.19;1.05;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nd_C5";;;;;;;1.64;;0.02;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM452744;MM452744;CCC1(O)CC2(C)CC1C2;UNESYUHMTSOOHP-UHFFFAOYSA-N;140.23;1.95;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC5_SC3";;;;;;;3.34;;0.48;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM452745;MM452745;CCC=CCC=CCC=O;FIDBXHOCOXRPRO-UHFFFAOYSA-N;138.21;2.49;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1_Na";;;;;;;2.91;;0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM452746;MM452746;C#CCNN=C(C)C(=C)F;SOJHSXROYLMUGF-UHFFFAOYSA-N;140.16;1.07;;;;;DOPC;MDCG;27;0;"MARTINI bead: P3_C3";;;;;;;0.6;;-0.8;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM452747;MM452747;CCC=CCC=CCC#N;BQQRPIUOSTWVSZ-UHFFFAOYSA-N;135.21;2.81;;;;;DOPC;MDCG;27;0;"MARTINI bead: C3_C5";;;;;;;3.34;;0.48;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM452748;MM452748;CC=C1C=CC(NC)CC1;HRQJUVRGBGDGIL-UHFFFAOYSA-N;137.23;1.87;;;;;DOPC;MDCG;27;1;"MARTINI bead: SNd_SC2";;;;;;;2.83;;-0.47;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM452749;MM452749;CCC=CCC=CNC=N;ZQIIZBQCVVJIOW-UHFFFAOYSA-N;138.21;2.05;;;;;DOPC;MDCG;27;1;"MARTINI bead: C1_P2";;;;;;;1.8;;-2.88;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM452750;MM452750;CNC1C=CC(=NN)CC1;FLWQHUDDHZMLMO-UHFFFAOYSA-N;139.2;0.24;;;;;DOPC;MDCG;27;1;"MARTINI bead: SNd_SNd";;;;;;;0.87;;-4.62;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM452751;MM452751;CNN=CCC=CCC#N;ZRUJOUYGYNBUOV-UHFFFAOYSA-N;137.19;1.05;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nd_N0";;;;;;;1.17;;-1.04;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM452752;MM452752;CC=C1C=CC(OC)CC1;FEVJXSPIEXHDCW-UHFFFAOYSA-N;138.21;2.3;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC5_SC2";;;;;;;3.6;;0.34;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM452753;MM452753;CC=NNC(C)(C=O)C=O;TYLCTJQANWHPRF-UHFFFAOYSA-N;142.16;-0.26;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nd_Na";;;;;;;0.87;;-1.88;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM452754;MM452754;COC1C=CC(=CF)CC1;UUOXNKBGPFXNFC-UHFFFAOYSA-N;142.17;2.2;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC5_SC4";;;;;;;2.97;;0.45;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM452755;MM452755;COC1C=CC(=NN)CC1;CYIBFZLBOOCAGP-UHFFFAOYSA-N;140.19;0.67;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC5_SNd";;;;;;;1.64;;0.02;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM452756;MM452756;C=CC1=NNC(C)(C#N)C1;BDBRAXXSIPTHNB-UHFFFAOYSA-N;135.17;0.8;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNd_SP1";;;;;;;0.04;;-2.63;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM452757;MM452757;COC1C=CC(=NO)CC1;LBOAUKKWTYRXSE-UHFFFAOYSA-N;141.17;1.18;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC5_SNda";;;;;;;1.64;;0.05;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM452758;MM452758;C=COC=CCC=NNC;XFCSZXDEVBUUPO-UHFFFAOYSA-N;140.19;1.26;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nd_C5";;;;;;;1.64;;0.02;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM452759;MM452759;CN=C1C=CC(CN)CN1;ZFKBCCWHKMLCAS-UHFFFAOYSA-N;139.2;-0.25;;;;;DOPC;MDCG;27;1;"MARTINI bead: SNd_SP1";;;;;;;0.04;;-6.5;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM452760;MM452760;O=CNN=CCC=CCF;ONAOQMLDVUHAJO-UHFFFAOYSA-N;144.15;0.63;;;;;DOPC;MDCG;27;0;"MARTINI bead: C2_P4";;;;;;;0.77;;-0.87;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM452761;MM452761;CN=C1C=CC(CF)CN1;CFYABNBWFYLHEI-UHFFFAOYSA-N;142.18;0.76;;;;;DOPC;MDCG;27;1;"MARTINI bead: SNd_SNa";;;;;;;0.87;;-5.73;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM452762;MM452762;O=CON=CCC=CCF;ZDUDEHRBZDNYCJ-UHFFFAOYSA-N;145.13;1.06;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_Na";;;;;;;0.87;;-2.22;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM452763;MM452763;NN=C1C=CC(CF)CN1;NZFOYUWBJZYSBW-UHFFFAOYSA-N;143.17;;;;;;DOPC;MDCG;27;1;"MARTINI bead: SNd_SNa";;;;;;;0.87;;-3.5;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM452764;MM452764;COC=CCC=NOC=O;CZYWSNXJGWPASF-UHFFFAOYSA-N;143.14;0.7;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_P1";;;;;;;0.81;;-0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM452765;MM452765;CC=C1C=CC(CN)CO1;JGTOBSPBXYGBJA-UHFFFAOYSA-N;139.2;1.05;;;;;DOPC;MDCG;27;1;"MARTINI bead: SC5_SP1";;;;;;;0.81;;-3.18;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM452766;MM452766;CCN=CNC=CCC#N;SJMHFHFTESYQHK-UHFFFAOYSA-N;137.19;1.05;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_N0";;;;;;;1.17;;-4.07;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM452767;MM452767;C#CC1(C#C)COC(=N)N1;DUZDATMRUHTEEV-UHFFFAOYSA-N;134.14;-0.45;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP2_SP1";;;;;;;-1.06;;-3.82;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM452768;MM452768;OCC1C=CC(=CF)OC1;JUEHFNQCCCHXSH-UHFFFAOYSA-N;144.15;0.99;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNda_SNa";;;;;;;0.87;;-1.99;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM452769;MM452769;C=COC=CNC=NOC;UINBLGXGEXPOSV-UHFFFAOYSA-N;142.16;0.8;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_C5";;;;;;;0.54;;-1.09;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM452770;MM452770;CC=C1C=CC(CF)CO1;LTSMCKQOECCTKN-UHFFFAOYSA-N;142.17;2.06;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC5_SNa";;;;;;;1.64;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM452771;MM452771;C=CCNC=NC=CCC;GUOBFAXQIHDKTA-UHFFFAOYSA-N;138.21;1.71;;;;;DOPC;MDCG;27;1;"MARTINI bead: C4_P1";;;;;;;1.37;;-2.91;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM452772;MM452772;CN(C=O)N=CC(F)=CN;DLJZOWFHYITUSD-UHFFFAOYSA-N;145.14;-0.17;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_Nda";;;;;;;-0.24;;-3.31;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM452773;MM452773;CCC=CN=CNCC#N;UCLRYBZBVYTTPF-UHFFFAOYSA-N;137.19;1.05;;;;;DOPC;MDCG;27;1;"MARTINI bead: C3_P2";;;;;;;1.46;;-1.26;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM452774;MM452774;CCC1C=CC(=NO)OC1;IOESAMSZGWPPCK-UHFFFAOYSA-N;141.17;1.39;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC5_SNda";;;;;;;1.64;;0.05;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM452775;MM452775;C=CCNC=NC=CCO;XWISYPHEGWPODO-UHFFFAOYSA-N;140.19;0.3;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nda_P1";;;;;;;0.04;;-5.45;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM452776;MM452776;NCC1C=CC(=NO)OC1;OBJMXANNRTYGIT-UHFFFAOYSA-N;142.16;-0.06;;;;;DOPC;MDCG;27;1;"MARTINI bead: SP1_SNda";;;;;;;0.04;;-5.28;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM452777;MM452777;C=CCNC=NC=CCF;PINFRCLCYZRSHK-UHFFFAOYSA-N;142.18;1.27;;;;;DOPC;MDCG;27;1;"MARTINI bead: Na_Nd";;;;;;;0.87;;-4.57;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM452778;MM452778;NCC1C=CC(=CF)CN1;XHUBDQRSEILXKG-UHFFFAOYSA-N;142.18;0.33;;;;;DOPC;MDCG;27;1;"MARTINI bead: SP1_SNa";;;;;;;0.04;;-4.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM452779;MM452779;O=CCNC=NC=CCF;FTCCRVNZDMAUPK-UHFFFAOYSA-N;144.15;0.29;;;;;DOPC;MDCG;27;1;"MARTINI bead: C5_P5";;;;;;;-0.34;;-5.13;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM452780;MM452780;NCC1C=CC(=NO)CN1;MHNOSEMVQXDVER-UHFFFAOYSA-N;141.17;-0.7;;;;;DOPC;MDCG;27;1;"MARTINI bead: SP1_SP1";;;;;;;-0.79;;-5.08;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM452781;MM452781;NCC=CN=CNNC=O;FDPIUTGVLCYAMI-UHFFFAOYSA-N;142.16;-1.26;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1_P4";;;;;;;-2.01;;-6.75;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM452782;MM452782;CN=C1C=CC(CN)NN1;RNLBDYGOLVSDDJ-UHFFFAOYSA-N;140.19;-0.99;;;;;DOPC;MDCG;27;1;"MARTINI bead: SP1_SP2";;;;;;;-1.06;;-6.25;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM452783;MM452783;N=CNNC=NC=CCF;XZKWWRYIFXLVOJ-UHFFFAOYSA-N;144.15;0.2;;;;;DOPC;MDCG;27;1;"MARTINI bead: C5_P4";;;;;;;-0.41;;-5.02;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM452784;MM452784;CN=C1C=CC(CO)NN1;HVCHUXVNHCJVAY-UHFFFAOYSA-N;141.17;-0.96;;;;;DOPC;MDCG;27;1;"MARTINI bead: SP1_SP2";;;;;;;-1.06;;-6.22;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM452785;MM452785;NCC1C=CC(=CF)CO1;BZSPSQYCHNEIAU-UHFFFAOYSA-N;143.16;0.75;;;;;DOPC;MDCG;27;1;"MARTINI bead: SNda_SNa";;;;;;;0.87;;-4.02;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM452786;MM452786;COC=CN=CNNC=N;ZXNOFLONFCUOCQ-UHFFFAOYSA-N;142.16;-0.17;;;;;DOPC;MDCG;27;1;"MARTINI bead: Na_P4";;;;;;;-1.19;;-6.97;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM452787;MM452787;OCC1C=CC(=CF)CO1;MVEYQIBJZFPALG-UHFFFAOYSA-N;144.15;0.79;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNda_SNa";;;;;;;0.87;;-1.99;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM452788;MM452788;COC=CN=CNOC=O;GYVQMUCNXGTHQC-UHFFFAOYSA-N;144.13;-0.19;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_P2";;;;;;;-0.24;;-3.24;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM452789;MM452789;CC=C1C=CC(CF)OC1;RECAIYUNBQOCPB-UHFFFAOYSA-N;142.17;1.86;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC5_SNa";;;;;;;1.64;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM452790;MM452790;CNN=CN=CNNC=N;HEFNYAGRSCZEFW-UHFFFAOYSA-N;142.17;-1.12;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1_P4";;;;;;;-2.01;;-7.35;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM452791;MM452791;CCC1C=CC(=NN)CO1;QFHLJRRFYAFXIA-UHFFFAOYSA-N;140.19;0.67;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC5_SP1";;;;;;;0.81;;-0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM452792;MM452792;CCC(=O)CCNCC#N;GTBPFRKNCHRINE-UHFFFAOYSA-N;140.19;0.47;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_P2";;;;;;;-0.24;;-3.24;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM452793;MM452793;CCC1C=CC(=NO)CO1;CLVCMRGEKVWZEP-UHFFFAOYSA-N;141.17;1.18;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC5_SP1";;;;;;;0.81;;-0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM452794;MM452794;CON=CNOC(=O)OC;NKJJYJLATNJBMN-UHFFFAOYSA-N;148.12;-0.14;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_P1";;;;;;;-0.79;;-3.13;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM452795;MM452795;C#CCNN=CC(F)CC;OVJOPOXIDJZIRS-UHFFFAOYSA-N;142.18;0.94;;;;;DOPC;MDCG;27;0;"MARTINI bead: C2_P3";;;;;;;0.86;;-0.3;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM452796;MM452796;CCC1(O)CCC2(C)CC21;OCTIONQVXIFHAZ-UHFFFAOYSA-N;140.23;1.95;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC5_SC4";;;;;;;2.97;;0.45;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM452797;MM452797;COC1C=CC(=CF)CO1;GLAFAPTZASTYFD-UHFFFAOYSA-N;144.15;1.4;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNa_SNa";;;;;;;0.87;;-2.22;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM452798;MM452798;C#CC(C#CC=C)ON=C;GMUQZPWFPVZIQK-UHFFFAOYSA-N;133.15;0.81;;;;;DOPC;MDCG;27;0;"MARTINI bead: N0_Na";;;;;;;1.17;;-1.18;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM452799;MM452799;COC1C=CC(=NO)CO1;COJBXPWUDDQUHO-UHFFFAOYSA-N;143.14;0.38;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNa_SP1";;;;;;;0.04;;-2.54;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM452800;MM452800;FCCON=C(CF)CF;ZOBPURAJJUFSAP-UHFFFAOYSA-N;155.12;1.27;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_P1";;;;;;;0.81;;-0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM452801;MM452801;CN=C1C=CC(CN)ON1;GRTRPYIYJJFAGQ-UHFFFAOYSA-N;141.17;-0.57;;;;;DOPC;MDCG;27;1;"MARTINI bead: SNd_SP2";;;;;;;-0.24;;-4.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM452802;MM452802;N=CNNC=NN=CCO;BCCQLXXZAWKYLY-UHFFFAOYSA-N;143.15;-1.31;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nda_P4";;;;;;;-1.19;;-7.03;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM452803;MM452803;NCC1C=CC(NO)=NO1;CFIQWGFJUILEPD-UHFFFAOYSA-N;143.15;-0.81;;;;;DOPC;MDCG;27;1;"MARTINI bead: SP1_SP1";;;;;;;-0.79;;-4.48;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM452804;MM452804;C#CC(CF)CN1CC1C;GWNCBYDRMKTQAT-UHFFFAOYSA-N;141.19;0.91;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNd_Na";;;;;;;0.87;;-1.88;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM452805;MM452805;CN=C1C=CC(CO)ON1;UHFZJAGNXWTQLI-UHFFFAOYSA-N;142.16;-0.53;;;;;DOPC;MDCG;27;1;"MARTINI bead: SNd_SP1";;;;;;;0.04;;-3.68;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM452806;MM452806;COC=NN=CNNC=N;LMGVRACWRMVEME-UHFFFAOYSA-N;143.15;-0.69;;;;;DOPC;MDCG;27;1;"MARTINI bead: Na_P4";;;;;;;-1.19;;-6.93;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM452807;MM452807;CCC(=O)C(C)=NOC=O;HUXYXKCUQLSSTF-UHFFFAOYSA-N;143.14;0.51;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_P2";;;;;;;0.54;;-1.09;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM452808;MM452808;COC=NN=CNNC=O;FYTXKHVWELDNSM-UHFFFAOYSA-N;144.13;-1.15;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_P4";;;;;;;-1.19;;-4.76;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM452809;MM452809;ON=C1C=CC(CF)ON1;QQDOTSXZJKMMEF-UHFFFAOYSA-N;146.12;0.2;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP1_SNa";;;;;;;0.04;;-2.54;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM452810;MM452810;COC1=CCN(N)C(=O)C1;JLZRUZIVHVCFDW-UHFFFAOYSA-N;142.16;-0.38;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNa_SP1";;;;;;;0.04;;-2.54;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM452811;MM452811;CN=C1CCN(OC)C=N1;LCKJBAQUQUEVTM-UHFFFAOYSA-N;141.17;0.31;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP1_SP1";;;;;;;-0.79;;-3.13;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM452812;MM452812;CC(C=O)NC1CC1C#N;NBJYPBZEXWSAPT-UHFFFAOYSA-N;138.17;0.08;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_SP2";;;;;;;-0.24;;-3.24;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM452813;MM452813;CC=NNCCC(F)C#N;YNSUUECGWUYMFM-UHFFFAOYSA-N;143.17;0.83;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nd_Na";;;;;;;0.87;;-1.88;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM452814;MM452814;C=NN1CC1CC(=O)CC;COCLBIKHFYVRBZ-UHFFFAOYSA-N;140.19;0.66;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_SP2";;;;;;;-0.24;;-3.24;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM452815;MM452815;C=CC#CCNC(=N)C=O;RUTPOXBSGKJKJX-UHFFFAOYSA-N;136.15;-0.06;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4_P3";;;;;;;0.23;;-1.03;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM452816;MM452816;C=NN1C(C)C1C#CC=O;QVMQOKCTDBJTLA-UHFFFAOYSA-N;136.15;-0.12;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_SP1";;;;;;;-0.79;;-3.13;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM452817;MM452817;CC=C1C=NN(CC)CC1;JQSAIGLMIJCJQC-UHFFFAOYSA-N;138.21;1.64;;;;;DOPC;MDCG;27;0;"MARTINI bead: SN0_SN0";;;;;;;1.47;;-0.05;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM452818;MM452818;CC(=O)C(=N)N(C)C=O;SYBJULQZUKXXDB-UHFFFAOYSA-N;128.13;-0.36;;;;;DOPC;MDCG;27;0;"MARTINI bead: P3_Na";;;;;;;-1.1;;-4.2;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM452819;MM452819;CCN1CCC(=CF)C=N1;HVQBMVYCEZGAMA-UHFFFAOYSA-N;142.18;1.55;;;;;DOPC;MDCG;27;0;"MARTINI bead: SN0_SP1";;;;;;;0.34;;-1.53;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM452820;MM452820;C=CCC=COC=CCC;IREYBBXQAWIEDH-UHFFFAOYSA-N;138.21;3.02;;;;;DOPC;MDCG;27;0;"MARTINI bead: C3_C5";;;;;;;3.34;;0.48;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM452821;MM452821;CCN1CCC(=NO)C=N1;LSLSXOPJMVVTKF-UHFFFAOYSA-N;141.17;0.53;;;;;DOPC;MDCG;27;0;"MARTINI bead: SN0_SP2";;;;;;;0.06;;-2.21;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM452822;MM452822;CCC=COC=CCC=O;FVXODNUMYSRTOW-UHFFFAOYSA-N;140.18;2.03;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_Na";;;;;;;1.64;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM452823;MM452823;CCN=C(C=CNN)OC;YJPXGIHDEKUGQZ-UHFFFAOYSA-N;143.19;0.03;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4_P3";;;;;;;0.23;;-1.03;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM452824;MM452824;CCC=COC=CCC#N;DJGQZLPKOWNICZ-UHFFFAOYSA-N;137.18;2.35;;;;;DOPC;MDCG;27;0;"MARTINI bead: C3_Na";;;;;;;2.57;;0.45;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM452825;MM452825;CCN1C=NC(=NO)CO1;PFBNXWZKRUZBJG-UHFFFAOYSA-N;143.15;0.07;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNa_SP2";;;;;;;-0.24;;-3.24;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM452826;MM452826;C=CCC=COC=COC;QEYSMHJMUAENSP-UHFFFAOYSA-N;140.18;2.21;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_C3";;;;;;;2.57;;0.45;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM452827;MM452827;CC=C1C=CC(C=O)CC1;ICSXRPUZVDTCDU-UHFFFAOYSA-N;136.19;2.1;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC2_SNa";;;;;;;2.83;;0.35;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM452828;MM452828;COC=COC=CCC=O;QWEJONMSJDNXNN-UHFFFAOYSA-N;142.15;1.22;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_Na";;;;;;;0.87;;-2.22;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM452829;MM452829;C=CC1C=CC(=NC)NC1;CNDUWKPGYCTIPT-UHFFFAOYSA-N;136.2;0.98;;;;;DOPC;MDCG;27;1;"MARTINI bead: SNd_SN0";;;;;;;1.17;;-4.86;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM452830;MM452830;COC=COC=CCC#N;VDRKAGSNHIKUGG-UHFFFAOYSA-N;139.15;1.55;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_P1";;;;;;;0.81;;-0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM452831;MM452831;CCC=COC=CNC=N;AIVDKZXTJSQVTG-UHFFFAOYSA-N;140.19;1.59;;;;;DOPC;MDCG;27;1;"MARTINI bead: C1_P3";;;;;;;0.94;;-2.58;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM452832;MM452832;C=C(F)C(CF)NN=CC;WIDGJCATDDJRSQ-UHFFFAOYSA-N;148.16;1.4;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nd_C5";;;;;;;1.64;;0.02;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM452833;MM452833;CCC=COC=CNC=O;YQIDVRTUTGRQRV-UHFFFAOYSA-N;141.17;1.14;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1_P3";;;;;;;0.94;;0.03;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM452834;MM452834;CC=C1C=CC(C=O)CO1;VFNZVWBGAVPFIM-UHFFFAOYSA-N;138.17;1.29;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC5_SNa";;;;;;;1.64;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM452835;MM452835;Nc1c(F)c(=O)cnn1N;IPRHXTPYTCURNZ-UHFFFAOYSA-N;144.11;-1.32;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP3_SNda";;;;;;;-1.1;;-3.97;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM452836;MM452836;N=CNC=COC=CCN;FQCWEBWWMHAHCH-UHFFFAOYSA-N;141.17;0.14;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nda_P3";;;;;;;-1.1;;-6.82;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM452837;MM452837;C=CC1C=CC(=NC)NN1;OCPSTBFWRIJASM-UHFFFAOYSA-N;137.19;0.23;;;;;DOPC;MDCG;27;1;"MARTINI bead: SP1_SP1";;;;;;;-0.79;;-5.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM452838;MM452838;NCC=COC=CNC=O;BKEPUWFGJMDJSU-UHFFFAOYSA-N;142.16;-0.31;;;;;DOPC;MDCG;27;1;"MARTINI bead: P2_P2";;;;;;;-1.34;;-6.48;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM452839;MM452839;N#CC1C=CC(=NO)NN1;PMSHCGNHTSGEMA-UHFFFAOYSA-N;138.13;-0.67;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP2_SP2";;;;;;;-1.34;;-4.31;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM452840;MM452840;N=CNC=COC=CCF;PMHJFRVOWFCBPZ-UHFFFAOYSA-N;144.15;1.15;;;;;DOPC;MDCG;27;1;"MARTINI bead: C5_P2";;;;;;;0.54;;-3.92;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM452841;MM452841;CC=C1C=CN(C=N)CC1;GSIVOOUNBKOZEO-UHFFFAOYSA-N;136.2;1.76;;;;;DOPC;MDCG;27;1;"MARTINI bead: SN0_SNd";;;;;;;1.17;;-4.48;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM452842;MM452842;C=COC=COC=CCC;JIISZFNCQMDBLZ-UHFFFAOYSA-N;140.18;2.56;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_C5";;;;;;;2.41;;0.64;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM452843;MM452843;N=CN1C=CC(=CF)CC1;DSOWSTSCNVBVRY-UHFFFAOYSA-N;140.16;1.67;;;;;DOPC;MDCG;27;1;"MARTINI bead: SNa_SNd";;;;;;;0.87;;-5.24;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM452844;MM452844;CCC=COC=COC=O;XPVIRRGQGJRVHG-UHFFFAOYSA-N;142.15;1.57;;;;;DOPC;MDCG;27;0;"MARTINI bead: C3_P1";;;;;;;1.74;;0.29;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM452845;MM452845;CC=C1C=CN(C=O)CC1;ZGNXDHZXTVCUAZ-UHFFFAOYSA-N;137.18;1.31;;;;;DOPC;MDCG;27;0;"MARTINI bead: SN0_SNda";;;;;;;1.17;;-1.13;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM452846;MM452846;C=COC=COC=CCN;QQLZKFSIKTUIRR-UHFFFAOYSA-N;141.17;1.11;;;;;DOPC;MDCG;27;1;"MARTINI bead: P2_C5";;;;;;;0.54;;-3.25;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM452847;MM452847;O=CN1C=CC(=CF)CC1;GPOVPVUHCUDZTC-UHFFFAOYSA-N;141.15;1.22;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNa_SNda";;;;;;;0.87;;-1.99;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM452848;MM452848;C=COC=COC=CCO;VHDYKNXGCXLQLJ-UHFFFAOYSA-N;142.15;1.14;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda_Na";;;;;;;0.87;;-1.99;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM452849;MM452849;N=CN1C=CC(=NN)CC1;SLMDACDLJFJZAT-UHFFFAOYSA-N;138.17;0.13;;;;;DOPC;MDCG;27;1;"MARTINI bead: SP1_SNd";;;;;;;0.04;;-5.72;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM452850;MM452850;C=COC=COC=CCF;DFBSGCUPCRAXNN-UHFFFAOYSA-N;144.15;2.12;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_C5";;;;;;;1.64;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM452851;MM452851;N=CN1C=CC(=NO)CC1;XTXMTFFYOXPORG-UHFFFAOYSA-N;139.16;0.64;;;;;DOPC;MDCG;27;1;"MARTINI bead: SP1_SNd";;;;;;;0.04;;-5.64;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM452852;MM452852;O=COC=COC=CCF;HZZKUHJWJYTFNJ-UHFFFAOYSA-N;146.12;1.13;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_Na";;;;;;;0.87;;-2.22;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM452853;MM452853;NN=C1C=CN(C=O)CC1;UKEJZVGMVPJHDS-UHFFFAOYSA-N;139.16;-0.32;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP1_SNda";;;;;;;0.04;;-2.73;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM452854;MM452854;COC=COC=COC=O;NLFHQLVWSHMQNI-UHFFFAOYSA-N;144.13;0.76;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_P1";;;;;;;0.81;;-0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM452855;MM452855;O=CN1C=CC(=NO)CC1;VJALGQSRBYYWIW-UHFFFAOYSA-N;140.14;0.19;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP1_SNda";;;;;;;0.04;;-2.73;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM452856;MM452856;N#CC1(C#N)C=NNC1;OMRPPAHFJKLQRK-UHFFFAOYSA-N;120.12;-0.39;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP1_SP1";;;;;;;-0.79;;-3.13;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM452857;MM452857;CCON=c1onc(N)o1;FKKXSUOCFITJBD-UHFFFAOYSA-N;145.12;-0.3;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_SP3";;;;;;;-1.93;;-4.72;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM452858;MM452858;C=COC=COC=NOC;IFFPUKLPUYQYIG-UHFFFAOYSA-N;143.14;1.22;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_Na";;;;;;;0.87;;-2.22;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM452859;MM452859;C=CC(C#N)CCNN=C;VCJIDYBBDXPAJP-UHFFFAOYSA-N;137.19;0.91;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_P2";;;;;;;0.54;;-1.09;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM452860;MM452860;CN=C(C#N)NN1CC1;AAWVGPDJEQPXBM-UHFFFAOYSA-N;124.15;-0.64;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_SP3";;;;;;;-1.93;;-4.72;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM452861;MM452861;CN=C1CCN(C=O)C=N1;XGALWGQNRGXHGT-UHFFFAOYSA-N;139.16;-0.09;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP1_SP2";;;;;;;-1.06;;-3.82;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM452862;MM452862;CCC=COC=NNC=O;GZVZVUYFAQOJOU-UHFFFAOYSA-N;142.16;0.62;;;;;DOPC;MDCG;27;0;"MARTINI bead: C3_P4";;;;;;;0.52;;-1.59;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM452863;MM452863;C#CC=NNC(C#C)C=C;LWIDWWHIZOCZMC-UHFFFAOYSA-N;132.17;0.38;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_P1";;;;;;;0.81;;-0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM452864;MM452864;NC(=C(F)C=O)C1CN1;UZEPNCOSXXZZKI-UHFFFAOYSA-N;130.12;-0.7;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP2_P1";;;;;;;-1.06;;-3.82;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM452865;MM452865;C=NOC(=O)C(=CN)CC;GBHZEQIISQKSDT-UHFFFAOYSA-N;142.16;0.4;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_P1";;;;;;;0.81;;-0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM452866;MM452866;O=CNN=COC=CCF;NGIUTSHHIVCNHX-UHFFFAOYSA-N;146.12;0.18;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_P2";;;;;;;0.54;;-1.09;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM452867;MM452867;C=CC(C(C)C)C(C)(C)O;AMAMZJQNKAROPJ-UHFFFAOYSA-N;142.24;2.22;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1_Nda";;;;;;;2.91;;0.57;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM452868;MM452868;C=NN1C=NC(=NC)CC1;ZWQHALVUSIZFGA-UHFFFAOYSA-N;138.17;0.36;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP1_SP1";;;;;;;-0.79;;-3.13;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM452869;MM452869;O=CON=COC=CCF;AKDMUSALDAIFRV-UHFFFAOYSA-N;147.11;0.6;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_P2";;;;;;;0.54;;-1.09;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM452870;MM452870;C=NNCCC1(C#N)CC1;DDWILDLRILBMHF-UHFFFAOYSA-N;137.19;0.89;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_SN0";;;;;;;0.06;;-2.21;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM452871;MM452871;NCC=NOC=NNC=O;HOXMKIBAMZGFED-UHFFFAOYSA-N;144.13;-1.36;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1_P2";;;;;;;-1.06;;-5.21;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM452872;MM452872;C=NNCC#CC#CC#N;SCGRWZXFBAYUDI-UHFFFAOYSA-N;131.14;-0.28;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_C5";;;;;;;0.81;;-0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM452873;MM452873;O=CNN=CON=CCO;NVFKTTFVDDQDOB-UHFFFAOYSA-N;145.12;-1.33;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_P2";;;;;;;-1.06;;-3.82;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM452874;MM452874;CC=C1C=NN(C=N)CC1;KYUUXIVBMKSTFD-UHFFFAOYSA-N;137.19;1.23;;;;;DOPC;MDCG;27;0;"MARTINI bead: SN0_SP1";;;;;;;0.34;;-1.53;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM452875;MM452875;CC=CC(C)(C)C(C)(C)O;PTJXJEFAWCBVKP-UHFFFAOYSA-N;142.24;2.36;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1_Nda";;;;;;;2.91;;0.57;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM452876;MM452876;N=CC1=CNN(C=N)CC1;CNUYYJLWURIROQ-UHFFFAOYSA-N;138.17;0.34;;;;;DOPC;MDCG;27;1;"MARTINI bead: SP2_SP3";;;;;;;-2.2;;-7.1;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM452877;MM452877;C#CCNC=NC=CCC;XCQYZQNYWWNTKF-UHFFFAOYSA-N;136.2;1.16;;;;;DOPC;MDCG;27;1;"MARTINI bead: C4_P2";;;;;;;1.09;;-2.18;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM452878;MM452878;N=CN1CCC(=CF)C=N1;QCIMYMNNTYYICD-UHFFFAOYSA-N;141.15;1.14;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP1_SP1";;;;;;;-0.79;;-3.13;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM452879;MM452879;C#CCNC=NC=CCF;VHAYZAAXWPRJAC-UHFFFAOYSA-N;140.16;0.72;;;;;DOPC;MDCG;27;1;"MARTINI bead: C5_P1";;;;;;;0.81;;-2.05;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM452880;MM452880;CC=C1C=NN(C=O)CC1;CVOMKPHFHGZOHX-UHFFFAOYSA-N;138.17;0.78;;;;;DOPC;MDCG;27;0;"MARTINI bead: SN0_SP1";;;;;;;0.34;;-1.53;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM452881;MM452881;CC(C)(C)ONC(=N)C#N;FONCGNYOUMZMNK-UHFFFAOYSA-N;141.17;0.81;;;;;DOPC;MDCG;27;0;"MARTINI bead: C3_P3";;;;;;;0.6;;-0.8;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM452882;MM452882;NC=C1C=NN(C=O)CC1;DQIMTZLGPYCESC-UHFFFAOYSA-N;139.16;-0.32;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP1_SP1";;;;;;;-0.79;;-3.13;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM452883;MM452883;CC=CC(C)C(C)(O)CC;PONXKEJDJYVVNU-UHFFFAOYSA-N;142.24;2.36;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda_C1";;;;;;;2.91;;0.57;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM452884;MM452884;O=CN1CCC(=CF)C=N1;ICWKANALSHXVBZ-UHFFFAOYSA-N;142.13;0.69;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP1_SP1";;;;;;;-0.79;;-3.13;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM452885;MM452885;CON=C(C)C(F)(F)C#N;CQJBFTQKGZPAQW-UHFFFAOYSA-N;148.11;1.17;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_N0";;;;;;;1.17;;-1.18;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM452886;MM452886;CC#CC#CC1NC1C#N;JEQSCKXNJCCIFR-UHFFFAOYSA-N;130.15;-0.12;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4_SP2";;;;;;;1.09;;-0.38;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM452887;MM452887;C#CCC=COC=CCC;YCEGRTFQTQRJDE-UHFFFAOYSA-N;136.19;2.46;;;;;DOPC;MDCG;27;0;"MARTINI bead: C3_C5";;;;;;;3.34;;0.48;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM452888;MM452888;C#CCC=COC=CCO;CAIDNNPUJOCZCK-UHFFFAOYSA-N;138.17;1.05;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_C5";;;;;;;0.81;;-0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM452889;MM452889;COC12CC1C(NN)=NO2;IYQBGJLJAZVQSV-UHFFFAOYSA-N;143.15;-0.84;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP1_SP2";;;;;;;-1.06;;-3.82;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM452890;MM452890;C#CCC=COC=CCF;VJYOWFZCZWWMNH-UHFFFAOYSA-N;140.16;2.02;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_C5";;;;;;;2.41;;0.64;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM452891;MM452891;C#CC1CN(N)C1=O;JECGHIUEYBERJD-UHFFFAOYSA-N;110.12;-1.05;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP2_SP2";;;;;;;-1.34;;-4.31;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM452892;MM452892;O=CN1CCC(=NO)C=N1;UXXSWMBAXOHCSF-UHFFFAOYSA-N;141.13;-0.34;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP2_SP1";;;;;;;-1.06;;-3.82;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM452893;MM452893;C#CCC=COC=COC;VTGYTSMTPHSWGX-UHFFFAOYSA-N;138.17;1.66;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_C5";;;;;;;1.64;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM452894;MM452894;N=CN1C=CC(=NN)CN1;SJOOJLKQQMPYPG-UHFFFAOYSA-N;139.16;-0.76;;;;;DOPC;MDCG;27;1;"MARTINI bead: SP3_SP2";;;;;;;-2.2;;-7.17;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM452895;MM452895;C=C(CC=NOC)C(C)=O;RQFZCZMQPZKBCJ-UHFFFAOYSA-N;141.17;1.15;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_Na";;;;;;;0.87;;-2.22;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM452896;MM452896;CC=CCC(O)(CC)CC;ASVXOISGWLREMC-UHFFFAOYSA-N;142.24;2.5;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_C2";;;;;;;3.6;;0.34;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM452897;MM452897;N=CN1C=CC(=NO)CN1;IQENSDWXMWCQLM-UHFFFAOYSA-N;140.15;-0.24;;;;;DOPC;MDCG;27;1;"MARTINI bead: SP3_SP2";;;;;;;-2.2;;-7.14;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM452898;MM452898;C#CCC=NOC=NOC;DEDOOZJVOZQKRQ-UHFFFAOYSA-N;140.14;0.6;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_N0";;;;;;;1.17;;-1.18;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM452899;MM452899;CC1CN=C(N)C1=O;SQDDISKERSZNCL-UHFFFAOYSA-N;112.13;-0.44;;;;;DOPC;MDCG;27;0;"MARTINI bead: SN0_SP2";;;;;;;0.06;;-2.21;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM452900;MM452900;C=CC=CCC=CCCF;PKJVNPMKNQYQMO-UHFFFAOYSA-N;140.2;3.03;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_C1";;;;;;;3.68;;0.46;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM452901;MM452901;O=CN1C=CC(=NO)CN1;YEIRVSFYYBLKNU-UHFFFAOYSA-N;141.13;-0.69;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP3_SP1";;;;;;;-1.93;;-4.72;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM452902;MM452902;CCCC=CCC=CC=O;RCVGYIQDISIYJQ-UHFFFAOYSA-N;138.21;2.49;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1_Na";;;;;;;2.91;;0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM452903;MM452903;CC=C1C=CN(C=O)OC1;PSGRESFNHPTDKX-UHFFFAOYSA-N;139.15;0.85;;;;;DOPC;MDCG;27;0;"MARTINI bead: SN0_SNa";;;;;;;1.17;;-1.18;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM452904;MM452904;CCCC=CCC=CC#N;AAYULBPHAHWOCA-UHFFFAOYSA-N;135.21;2.81;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1_N0";;;;;;;3.21;;0.46;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM452905;MM452905;CC=NNC1CC1(F)F;IXKSHYHAOSNIGL-UHFFFAOYSA-N;134.13;0.99;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nd_SN0";;;;;;;1.17;;-1.04;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM452906;MM452906;N#CC=CCC=CCCO;RQFDNDFVOADTSK-UHFFFAOYSA-N;137.18;1.39;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda_N0";;;;;;;1.17;;-1.13;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM452907;MM452907;C#CC1C=CC(=NC)NN1;MSSHVCYYSVZFHH-UHFFFAOYSA-N;135.17;-0.32;;;;;DOPC;MDCG;27;1;"MARTINI bead: SP1_SP2";;;;;;;-1.06;;-6.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM452908;MM452908;O=CC=CCC=CCCF;BCNTXGKUHZDASX-UHFFFAOYSA-N;142.17;2.05;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4_C5";;;;;;;2.97;;0.45;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM452909;MM452909;CC=C1C=CC(=CC)CC1;PABLEFHMDXHIIT-UHFFFAOYSA-N;134.22;3.23;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC2_SC2";;;;;;;4.78;;0.59;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM452910;MM452910;CC=C1C=CC(=CF)CC1;NXDOVPWPYVOSMR-UHFFFAOYSA-N;138.19;3.14;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC2_SC4";;;;;;;4.16;;0.44;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM452911;MM452911;CNCC=CCC=CC#N;YAZQEJTVIVMZEF-UHFFFAOYSA-N;136.2;1.23;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_C5";;;;;;;1.64;;-2.23;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM452912;MM452912;CCOC=CCC=CC#N;GUCUDWAVDKXRPN-UHFFFAOYSA-N;137.18;2.01;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_N0";;;;;;;1.94;;0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM452913;MM452913;FC=C1C=CC(=CF)CC1;OXJDUUYVXMFFLX-UHFFFAOYSA-N;142.15;3.04;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC4_SC4";;;;;;;3.53;;0.53;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM452914;MM452914;C=NN=CCC=CCCC;WZOTUFXFMRQCDG-UHFFFAOYSA-N;138.21;2.42;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1_C5";;;;;;;3.68;;0.46;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM452915;MM452915;CC=C1C=CC(=NN)CC1;MWUBWKMNOBVMFI-UHFFFAOYSA-N;136.2;1.6;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC2_SNd";;;;;;;2.83;;0.62;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM452916;MM452916;C=NN=CCC=CCCF;MTQQTRYIOSJHOZ-UHFFFAOYSA-N;142.18;1.98;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_C5";;;;;;;2.41;;0.64;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM452917;MM452917;CNC(=NOC)C(F)F;QKBQTEQPRQWTCE-UHFFFAOYSA-N;138.12;0.43;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_N0";;;;;;;0.34;;-1.53;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM452918;MM452918;C=NN=CCC=CCOC;HVTRPWQABVSGLE-UHFFFAOYSA-N;140.19;1.27;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_C5";;;;;;;1.64;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM452919;MM452919;NN=C1C=CC(=CF)CC1;WQKZQMQJVIYMRT-UHFFFAOYSA-N;140.16;1.5;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNd_SC4";;;;;;;2.2;;0.32;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM452920;MM452920;ON=C1C=CC(=CF)CC1;BBJUEUSPODLKHD-UHFFFAOYSA-N;141.15;2.02;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNda_SC4";;;;;;;2.2;;0.49;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM452921;MM452921;C=NN=CCC=COCC;MYMCLSVWWSJSKU-UHFFFAOYSA-N;140.19;1.61;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_C5";;;;;;;2.41;;0.64;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM452922;MM452922;CC1=NC(N)=C(C)C1=O;YUSFCQPSNDJMMK-UHFFFAOYSA-N;124.14;0.22;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNd_SNa";;;;;;;0.87;;-1.88;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM452923;MM452923;C=CC=CCC=NNCC;POWADUTXXKWGAX-UHFFFAOYSA-N;138.21;1.71;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_C1";;;;;;;2.08;;0.48;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM452924;MM452924;ON=C1C=CC(=NO)CC1;WAQTZAKORKOKQL-UHFFFAOYSA-N;140.14;1;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNda_SNda";;;;;;;0.87;;-2.07;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM452925;MM452925;CCNN=CCC=CC#N;OXVWTUCRJONYPB-UHFFFAOYSA-N;137.19;1.05;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nd_N0";;;;;;;1.17;;-1.04;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM452926;MM452926;CC=C1C=CC(=NC)NC1;ORMOCFPYPRNNMH-UHFFFAOYSA-N;136.2;1.12;;;;;DOPC;MDCG;27;1;"MARTINI bead: SN0_SNd";;;;;;;1.17;;-4.24;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM452927;MM452927;C=CC=CCC=NOCC;KLIMTQKXTGWYBH-UHFFFAOYSA-N;139.2;2.14;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_C1";;;;;;;2.91;;0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM452928;MM452928;CCON=CCC=CC=O;YSICUFJLFGUEDY-UHFFFAOYSA-N;141.17;1.15;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_Na";;;;;;;0.87;;-2.22;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM452929;MM452929;CN=C1C=CC(=CF)CN1;IHKDDJVJYOBRTP-UHFFFAOYSA-N;140.16;1.03;;;;;DOPC;MDCG;27;1;"MARTINI bead: SNd_SNa";;;;;;;0.87;;-4.95;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM452930;MM452930;C=C1C(C#N)=NNC1C;ZCABAOKNGOBPGE-UHFFFAOYSA-N;121.14;0.41;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP1_SP1";;;;;;;-0.79;;-3.13;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM452931;MM452931;C=NN=CCC=NOCC;SEHJGWGSUITYMC-UHFFFAOYSA-N;141.17;1.09;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_C5";;;;;;;1.64;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM452932;MM452932;CCCC=CN=CNC=N;IRLKILUYZLHUQO-UHFFFAOYSA-N;139.2;1.53;;;;;DOPC;MDCG;27;1;"MARTINI bead: C1_P4";;;;;;;0.85;;-2.29;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM452933;MM452933;CN=C1C=CC(=NN)CN1;UGOJUEOVNUOGGB-UHFFFAOYSA-N;138.17;-0.51;;;;;DOPC;MDCG;27;1;"MARTINI bead: SNd_SP2";;;;;;;-0.24;;-5.59;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM452934;MM452934;CN(N=CCF)C(=N)C#N;IBCXAGBHPXXWBO-UHFFFAOYSA-N;142.14;0.37;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_C5";;;;;;;0.54;;-1.09;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM452935;MM452935;CN=C1C=CC(=NO)CN1;XXINFGWXWHVGCM-UHFFFAOYSA-N;139.16;;;;;;DOPC;MDCG;27;1;"MARTINI bead: SNd_SP1";;;;;;;0.04;;-4.99;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM452936;MM452936;COCC=CN=CNC=N;WZEXSOLQCNAQTK-UHFFFAOYSA-N;141.17;0.37;;;;;DOPC;MDCG;27;1;"MARTINI bead: Na_P2";;;;;;;-0.24;;-4.95;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM452937;MM452937;ON=C1C=CC(=NO)NC1;CKKICJSKHJFYES-UHFFFAOYSA-N;141.13;-0.24;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP1_SNda";;;;;;;0.04;;-2.73;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM452938;MM452938;C=NNC=NC=CCCN;BAZYBKBADVPKSW-UHFFFAOYSA-N;140.19;0.08;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_P1";;;;;;;0.04;;-5.09;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM452939;MM452939;CC=C1C=CC(=CF)OC1;ZBVJOCJFECZSDR-UHFFFAOYSA-N;140.16;2.33;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC5_SNa";;;;;;;1.64;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM452940;MM452940;CC#CC=NNC(C)C#N;LHTYTELAGFORMK-UHFFFAOYSA-N;135.17;0.5;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4_P2";;;;;;;1.09;;-0.38;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM452941;MM452941;CC=C1C=CC(=CF)CO1;YTZZAOWXTXLLJP-UHFFFAOYSA-N;140.16;2.33;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC5_SNa";;;;;;;1.64;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM452942;MM452942;C=NNC=NC=CCNC;VNUXPUBUZZOMQU-UHFFFAOYSA-N;140.19;-0.05;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_P1";;;;;;;0.04;;-4.2;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM452943;MM452943;C=CC1CN=C(C#N)N1;FIBOONIIWLGKDI-UHFFFAOYSA-N;121.14;0.07;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP1_SP1";;;;;;;-0.79;;-3.13;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM452944;MM452944;C=CC=CNC=NCCN;LHKGJLIXBMRUJK-UHFFFAOYSA-N;139.2;0.26;;;;;DOPC;MDCG;27;1;"MARTINI bead: P2_Nd";;;;;;;-0.24;;-5.73;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM452945;MM452945;C#CC#CC1NC1C#N;YIJCIRDPMFSKMO-UHFFFAOYSA-N;116.12;-0.51;;;;;DOPC;MDCG;27;0;"MARTINI bead: N0_SP2";;;;;;;0.06;;-2.21;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM452946;MM452946;CCCN=CNC=CC=O;OQJLIFZSCSSUDB-UHFFFAOYSA-N;140.19;0.73;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_Na";;;;;;;0.87;;-4.14;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM452947;MM452947;ON=C1C=CC(=CF)CO1;RJXRLDIAYXYLEF-UHFFFAOYSA-N;143.12;1.21;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNda_SNa";;;;;;;0.87;;-1.99;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM452948;MM452948;O=CC=CNC=NCCF;WVWQIJXWWZXQNC-UHFFFAOYSA-N;144.15;0.29;;;;;DOPC;MDCG;27;1;"MARTINI bead: Na_P2";;;;;;;-0.24;;-4.79;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM452949;MM452949;CC=C1C=CC(=NN)CO1;INXOLPFNULSHBA-UHFFFAOYSA-N;138.17;0.79;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC5_SP1";;;;;;;0.81;;-0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM452950;MM452950;N#CCN(C=N)N=CCF;IOEVMIPXMRBGTI-UHFFFAOYSA-N;142.14;0.37;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_P1";;;;;;;0.04;;-2.54;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM452951;MM452951;CC=C1C=CC(=NO)CO1;MZHQOSQOECFUFE-UHFFFAOYSA-N;139.15;1.31;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC5_SP1";;;;;;;0.81;;-0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM452952;MM452952;CCON=CN=CNC=N;IIAKZBHPKMHPGN-UHFFFAOYSA-N;142.16;0.19;;;;;DOPC;MDCG;27;1;"MARTINI bead: C5_P3";;;;;;;-0.33;;-3.35;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM452953;MM452953;NN=C1C=CC(=NN)OC1;AXLUUSLVOMOCOG-UHFFFAOYSA-N;140.15;-0.84;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP1_SNda";;;;;;;0.04;;-2.73;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM452954;MM452954;C=CC(C#N)C=NNCC;HLFFPWKPKIJASN-UHFFFAOYSA-N;137.19;0.91;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_C5";;;;;;;0.81;;-0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM452955;MM452955;NN=C1C=CC(=NO)OC1;NEBFZFDZRXOENV-UHFFFAOYSA-N;141.13;-0.32;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP1_SNda";;;;;;;0.04;;-2.73;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM452956;MM452956;C=CC(C=C)=NNC=NC;FZZZKZUHEXLWFF-UHFFFAOYSA-N;137.19;0.96;;;;;DOPC;MDCG;27;0;"MARTINI bead: P3_C2";;;;;;;0.86;;-0.29;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM452957;MM452957;ON=C1C=CC(=NO)OC1;MULXUCUPHCQWKR-UHFFFAOYSA-N;142.11;0.19;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP1_SNda";;;;;;;0.04;;-2.73;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM452958;MM452958;C#CC1=NCC(C#C)N1N;DECXCPIUUVDASZ-UHFFFAOYSA-N;133.15;-0.79;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP1_SP1";;;;;;;-0.79;;-3.13;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM452959;MM452959;NCC1=CCC(CO)CC1;DJFFROKSPREONI-UHFFFAOYSA-N;141.21;0.66;;;;;DOPC;MDCG;27;1;"MARTINI bead: SNd_SC5";;;;;;;1.64;;-2.14;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM452960;MM452960;C=CC#CC(F)C1NC1C;RRDNMWJQSRVMDV-UHFFFAOYSA-N;139.17;0.87;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP1_C4";;;;;;;1.37;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM452961;MM452961;NCC1=CCC(CF)CC1;BCYOYKXJHUMHBN-UHFFFAOYSA-N;143.21;1.64;;;;;DOPC;MDCG;27;1;"MARTINI bead: SNd_SC4";;;;;;;2.2;;-1.67;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM452962;MM452962;O=CNC=NN=CCCF;SFGONZIOYXYXJI-UHFFFAOYSA-N;145.14;0.11;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4_P4";;;;;;;0.15;;-2.18;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM452963;MM452963;C=NNCC(F)(F)CC#N;LRSIJSRZTRMDAR-UHFFFAOYSA-N;147.13;0.74;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_P1";;;;;;;0.81;;-0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM452964;MM452964;CNCC=NN=CNC=O;BZIZTTPDRJYDLX-UHFFFAOYSA-N;142.16;-1.03;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1_P1";;;;;;;-0.79;;-4.35;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM452965;MM452965;CCC1CC=C(OC)CC1;JFUWDNUHWWJRQO-UHFFFAOYSA-N;140.23;2.73;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC1_SC5";;;;;;;3.68;;0.46;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM452966;MM452966;CN1C=NC(=O)CC1;HBXUERRSLZFCCJ-UHFFFAOYSA-N;112.13;-0.12;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP1_SP2";;;;;;;-1.06;;-3.82;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM452967;MM452967;COC1=CCC(CN)CC1;OHIGCEWYHSKPEA-UHFFFAOYSA-N;141.21;1.28;;;;;DOPC;MDCG;27;1;"MARTINI bead: SC5_SC5";;;;;;;2.41;;-0.49;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM452968;MM452968;CNc1coc(N)c1;OKZQXRAYTKCSAK-UHFFFAOYSA-N;112.13;0.9;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNd_SNd";;;;;;;0.87;;-2.11;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM452969;MM452969;COC1=CCC(CF)CC1;PHGSSRAMMOHYQB-UHFFFAOYSA-N;144.19;2.29;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC5_SC4";;;;;;;2.97;;0.45;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM452970;MM452970;N#CCNNC(=N)C=O;UWHYOMVLYAORBZ-UHFFFAOYSA-N;126.12;-1.22;;;;;DOPC;MDCG;27;0;"MARTINI bead: P3_P1";;;;;;;-1.93;;-4.72;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM452971;MM452971;CNC1CC=C(OC)CC1;DOMXZNMHLUGVDZ-UHFFFAOYSA-N;141.21;1.29;;;;;DOPC;MDCG;27;1;"MARTINI bead: SC5_SC5";;;;;;;2.41;;-0.86;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM452972;MM452972;CCN=C(C=O)NNC;WZNGMANDIOEYRJ-UHFFFAOYSA-N;129.16;-0.67;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_P5";;;;;;;-0.34;;-3.42;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM452973;MM452973;COC1CC=C(CN)CC1;WXJGOUUHAXMBNJ-UHFFFAOYSA-N;141.21;1.07;;;;;DOPC;MDCG;27;1;"MARTINI bead: SC5_SNd";;;;;;;1.64;;-2.14;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM452974;MM452974;C=CC=COC=CCCN;CVZUJONGXJWFOC-UHFFFAOYSA-N;139.2;1.57;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_C4";;;;;;;2.2;;-2.18;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM452975;MM452975;COC1CC=C(CF)CC1;CGFKCRUXLDARIU-UHFFFAOYSA-N;144.19;2.08;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC5_SC4";;;;;;;2.97;;0.45;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM452976;MM452976;CCCC=COC=CC=O;ZEYNIBNMWQKICD-UHFFFAOYSA-N;140.18;2.03;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1_P2";;;;;;;1.8;;0.4;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM452977;MM452977;COC1=CCC(OC)CC1;GUEPNLFSWSQPBY-UHFFFAOYSA-N;142.2;1.72;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC5_SC5";;;;;;;2.41;;0.64;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM452978;MM452978;CCCC=COC=CC#N;NZUPJOFKGLEEMD-UHFFFAOYSA-N;137.18;2.35;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1_P2";;;;;;;1.8;;0.4;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM452979;MM452979;C=NNC(C)(C)C#CC#N;PRXUCAGFTLVQMF-UHFFFAOYSA-N;135.17;0.5;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nd_N0";;;;;;;1.17;;-1.04;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM452980;MM452980;N#CC=COC=CCCO;RIGWYSNNPBDCJS-UHFFFAOYSA-N;139.15;0.94;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_C5";;;;;;;0.81;;-0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM452981;MM452981;NCC1CN=C(CF)NC1;CUBBJPJEROMHSS-UHFFFAOYSA-N;145.18;-0.47;;;;;DOPC;MDCG;27;1;"MARTINI bead: SP2_SNda";;;;;;;-0.24;;-5.14;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM452982;MM452982;C=CC=COC=CCNC;QXUWLLZOXDDCHZ-UHFFFAOYSA-N;139.2;1.44;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_C4";;;;;;;2.2;;-1.51;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM452983;MM452983;CNC1=NCC(CN)CN1;FFPLZJVNZNJMSP-UHFFFAOYSA-N;142.21;-1.26;;;;;DOPC;MDCG;27;1;"MARTINI bead: SNd_SP2";;;;;;;-0.24;;-7.78;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM452984;MM452984;CNCC=COC=CC=O;CJXVSGYBQDGUPY-UHFFFAOYSA-N;141.17;0.45;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_Na";;;;;;;0.87;;-3.87;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM452985;MM452985;CNC1CN=C(CO)NC1;QFJPPKCOIJAGMY-UHFFFAOYSA-N;143.19;-1.43;;;;;DOPC;MDCG;27;1;"MARTINI bead: SP2_SP1";;;;;;;-1.06;;-5.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM452986;MM452986;CNCC=COC=CC#N;QAHVUIYCPMUALB-UHFFFAOYSA-N;138.17;0.77;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1_N0";;;;;;;0.34;;-3.62;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM452987;MM452987;CNC1=NCC(NC)CN1;PKRYWBOIGCNFQQ-UHFFFAOYSA-N;142.21;-1.25;;;;;DOPC;MDCG;27;1;"MARTINI bead: SP2_SNd";;;;;;;-0.24;;-7.58;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM452988;MM452988;C=CC=COC=CCOC;ODQLUFYSIXRXTK-UHFFFAOYSA-N;140.18;1.86;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_C4";;;;;;;1.37;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM452989;MM452989;CNC1CN=C(NN)NC1;VZIUIAUEZGBWLY-UHFFFAOYSA-N;143.19;-2;;;;;DOPC;MDCG;27;1;"MARTINI bead: SP2_SP2";;;;;;;-1.34;;-8.1;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM452990;MM452990;COCC=COC=CC=O;PYBITQRCYHLTEQ-UHFFFAOYSA-N;142.15;0.88;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_Na";;;;;;;0.87;;-2.22;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM452991;MM452991;CCC1=CCC(CO)CO1;FCJWODJEUFVUPZ-UHFFFAOYSA-N;142.2;1.31;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC4_SNda";;;;;;;2.2;;0.49;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM452992;MM452992;COCC=COC=CC#N;CJQYFEMANGCHRB-UHFFFAOYSA-N;139.15;1.2;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_C5";;;;;;;0.81;;-0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM452993;MM452993;CNC1CC=C(CF)OC1;RNOVBMKOHJEMOJ-UHFFFAOYSA-N;145.18;0.85;;;;;DOPC;MDCG;27;1;"MARTINI bead: SNd_SC5";;;;;;;1.64;;-2.24;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM452994;MM452994;C=CC=COC=COCC;VESXEGJKECBGLH-UHFFFAOYSA-N;140.18;2.21;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_Na";;;;;;;1.64;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM452995;MM452995;CN(C)C(=O)C=C(N)C=O;CMCYHDZNOPFSHZ-UHFFFAOYSA-N;142.16;-0.88;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_P1";;;;;;;-0.79;;-3.13;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM452996;MM452996;CCOC=COC=CC=O;BRUXBOZAFQCLQK-UHFFFAOYSA-N;142.15;1.22;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_Na";;;;;;;0.87;;-2.22;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM452997;MM452997;CCC1CN=C(CF)NN1;KOHFWFCHMPJYLX-UHFFFAOYSA-N;145.18;0.24;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP1_SP2";;;;;;;-1.06;;-3.82;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM452998;MM452998;CCOC=COC=CC#N;NYUVCTYTKOLBQF-UHFFFAOYSA-N;139.15;1.55;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_N0";;;;;;;1.17;;-1.18;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM452999;MM452999;CCC1=NCC(CN)NN1;BDLWSEGDOZJOAO-UHFFFAOYSA-N;142.21;-0.77;;;;;DOPC;MDCG;27;1;"MARTINI bead: SP1_SP3";;;;;;;-1.93;;-6.97;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM453000;MM453000;C=NN=COC=CCCC;DWBBTMUDOGILSS-UHFFFAOYSA-N;140.19;1.96;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1_P1";;;;;;;2.08;;0.48;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM453001;MM453001;NCC1=NCC(CN)NN1;WOVQVLRWJCAITE-UHFFFAOYSA-N;143.19;-2.22;;;;;DOPC;MDCG;27;1;"MARTINI bead: SP3_SP3";;;;;;;-3.07;;-7.42;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM453002;MM453002;C=NN=COC=CCNC;RZZIRHGQFLVALR-UHFFFAOYSA-N;141.17;0.38;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1_N0";;;;;;;0.34;;-3.62;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM453003;MM453003;CCC1=NCC(CF)NN1;IFBIWXOVYVTQBD-UHFFFAOYSA-N;145.18;0.24;;;;;DOPC;MDCG;27;1;"MARTINI bead: SP1_SP2";;;;;;;-1.06;;-6.05;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM453004;MM453004;C=NN=COC=CCOC;MAIHLAQAJMKEMC-UHFFFAOYSA-N;142.16;0.81;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_C5";;;;;;;0.81;;-0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM453005;MM453005;CNC1=NNC(CN)CN1;FIFJAIVEXWZNRS-UHFFFAOYSA-N;143.19;-2;;;;;DOPC;MDCG;27;1;"MARTINI bead: SP2_SP2";;;;;;;-1.34;;-7.63;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM453006;MM453006;C=NN=COC=COCC;MFSVQJXJFNANCU-UHFFFAOYSA-N;142.16;1.15;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_N0";;;;;;;1.17;;-1.18;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM453007;MM453007;NCC1CNC(NO)=NN1;YXAUZLUGXLRDHP-UHFFFAOYSA-N;145.17;-2.24;;;;;DOPC;MDCG;27;1;"MARTINI bead: SP2_SP2";;;;;;;-1.34;;-5.72;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM453008;MM453008;CNc1cn(N)c(=O)o1;VLTPIKPIECRMCY-UHFFFAOYSA-N;129.12;-0.8;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNd_SP3";;;;;;;-1.1;;-3.93;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM453009;MM453009;CCC1CCC(CF)=CO1;ZIBRAYYFJWKPIO-UHFFFAOYSA-N;144.19;2.43;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC4_SNa";;;;;;;2.2;;0.34;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM453010;MM453010;CCON=COC=CC#N;DCPAGQPNVUMYPM-UHFFFAOYSA-N;140.14;1.02;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_Na";;;;;;;1.64;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM453011;MM453011;NCC1=COC(CN)CC1;MCMZRJQUGQBUFS-UHFFFAOYSA-N;142.2;-0.03;;;;;DOPC;MDCG;27;1;"MARTINI bead: SNda_SP1";;;;;;;0.04;;-5.14;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM453012;MM453012;C=NN=COC=NOCC;HRKLCOYQZJRNLI-UHFFFAOYSA-N;143.15;0.63;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_Na";;;;;;;1.64;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM453013;MM453013;CCC1=COC(CO)CC1;PAYYBLQCVPTHAY-UHFFFAOYSA-N;142.2;1.45;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC5_SNda";;;;;;;1.64;;0.05;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM453014;MM453014;CCON=CON=CC#N;LPOFIIRWEFZQRP-UHFFFAOYSA-N;141.13;0.49;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_P1";;;;;;;0.81;;-0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM453015;MM453015;COC1=COC(CN)CC1;SMUOCQFBIFGDAM-UHFFFAOYSA-N;143.19;0.61;;;;;DOPC;MDCG;27;1;"MARTINI bead: SNa_SNda";;;;;;;0.87;;-4.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM453016;MM453016;N#CC1=NNC(CF)C1;HAWDHDHTPPXXJA-UHFFFAOYSA-N;127.12;0.2;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNda_SP1";;;;;;;0.04;;-2.73;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM453017;MM453017;COC1=COC(CO)CC1;ZRWZKDJVCCTACT-UHFFFAOYSA-N;144.17;0.65;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNa_SNda";;;;;;;0.87;;-1.99;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM453018;MM453018;C=NN=CON=COCC;TVHHGPKQNJUPQQ-UHFFFAOYSA-N;143.15;0.63;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_N0";;;;;;;1.17;;-1.18;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM453019;MM453019;C=CCC=CCC=CC=O;HBAUOAKLTGOWKY-UHFFFAOYSA-N;136.19;2.26;;;;;DOPC;MDCG;27;0;"MARTINI bead: C2_Na";;;;;;;2.83;;0.35;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM453020;MM453020;CCC1=NOC(CC)CC1;JYINZYZVGXJDLB-UHFFFAOYSA-N;141.21;2.34;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC5_SC5";;;;;;;2.41;;0.64;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM453021;MM453021;N#CC=CCC=CCC#N;QSYBWKUAWMHZLW-UHFFFAOYSA-N;132.17;1.93;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_C5";;;;;;;0.81;;-0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM453022;MM453022;CC(CF)C(=O)C=C(N)N;NCTKGBRFNGPMEP-UHFFFAOYSA-N;146.17;-0.08;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_P2";;;;;;;-0.24;;-3.24;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM453023;MM453023;N#CC=CCC=CNC=N;NKFIPSNKOCQRMB-UHFFFAOYSA-N;135.17;1.17;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1_N0";;;;;;;0.34;;-5.59;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM453024;MM453024;CCC1=NOC(CN)CC1;HAFSSJHJXYTQRC-UHFFFAOYSA-N;142.2;0.89;;;;;DOPC;MDCG;27;1;"MARTINI bead: SC5_SP1";;;;;;;0.81;;-1.99;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM453025;MM453025;C=CC=CCC=COC=C;FBJRUZPVTNNZDT-UHFFFAOYSA-N;136.19;2.79;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_C1";;;;;;;3.68;;0.46;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM453026;MM453026;OCC1CCC(=NO)NO1;DCOJAICMATZNSD-UHFFFAOYSA-N;146.15;-0.55;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP1_SP1";;;;;;;-0.79;;-3.13;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM453027;MM453027;C=COC=CCC=CC=O;VAMQOZJQANMNST-UHFFFAOYSA-N;138.17;1.81;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_Na";;;;;;;1.64;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM453028;MM453028;CCC1=NOC(OC)CC1;DDRKBFWHLLATHJ-UHFFFAOYSA-N;143.19;1.54;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC5_SNa";;;;;;;1.64;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM453029;MM453029;C=CCC=CCC=NN=C;YNGPVHWKOLMRBX-UHFFFAOYSA-N;136.2;2.2;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1_N0";;;;;;;3.21;;0.46;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM453030;MM453030;CNC1=NOC(CN)CN1;JIWWEIPTEPTLLL-UHFFFAOYSA-N;144.18;-1.58;;;;;DOPC;MDCG;27;1;"MARTINI bead: SP1_SP3";;;;;;;-1.93;;-5.83;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM453031;MM453031;C#CC(CF)CN1CC1;VCYQIAUUMFAZIR-UHFFFAOYSA-N;127.16;0.52;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_SP1";;;;;;;0.04;;-2.54;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM453032;MM453032;C=NOCCC=CC(C)=O;QGWKTMWFFDBTAX-UHFFFAOYSA-N;141.17;1.15;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_Na";;;;;;;0.87;;-2.22;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM453033;MM453033;C=NN=CCC=CCC#N;XJOYNKXFYVSUMG-UHFFFAOYSA-N;135.17;1.53;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_N0";;;;;;;1.94;;0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM453034;MM453034;NCC1=CCC(CO)NC1;SDNWZKFGLBVMAC-UHFFFAOYSA-N;142.2;-0.77;;;;;DOPC;MDCG;27;1;"MARTINI bead: SP2_SP1";;;;;;;-1.06;;-5.94;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM453035;MM453035;C=COC=CCC=NN=C;MGIKRXUYARKTKZ-UHFFFAOYSA-N;138.17;1.74;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_C5";;;;;;;2.41;;0.64;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM453036;MM453036;COC1=CCC(CN)NC1;CKTMQKBYBMNUOB-UHFFFAOYSA-N;142.2;-0.16;;;;;DOPC;MDCG;27;1;"MARTINI bead: SNa_SP1";;;;;;;0.04;;-4.6;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM453037;MM453037;C=CC=CCC=NNC=O;UUZIHBKARJGJHW-UHFFFAOYSA-N;138.17;0.85;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4_P1";;;;;;;1.37;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM453038;MM453038;COC1=CCC(CO)NC1;MMDYFAUOAPKIDA-UHFFFAOYSA-N;143.19;-0.13;;;;;DOPC;MDCG;27;1;"MARTINI bead: SNa_SP1";;;;;;;0.04;;-3.72;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM453039;MM453039;C=CCC=CN=CNC=N;LVZDXVVYJCLTJZ-UHFFFAOYSA-N;137.19;1.3;;;;;DOPC;MDCG;27;1;"MARTINI bead: C3_P3";;;;;;;0.6;;-2.5;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM453040;MM453040;CNC1=NCC(CN)NN1;FIFJAIVEXWZNRS-UHFFFAOYSA-N;143.19;-2;;;;;DOPC;MDCG;27;1;"MARTINI bead: SP2_SP3";;;;;;;-2.2;;-8.94;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM453041;MM453041;N#CCC=CN=CNC=O;ZATKRROBPOSFCS-UHFFFAOYSA-N;137.14;0.19;;;;;DOPC;MDCG;27;0;"MARTINI bead: P3_C5";;;;;;;-0.33;;-2.01;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM453042;MM453042;CNC1=NCC(CF)NN1;NRUDZBWXKSNGMU-UHFFFAOYSA-N;146.17;-0.99;;;;;DOPC;MDCG;27;1;"MARTINI bead: SP2_SP2";;;;;;;-1.34;;-8.21;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM453043;MM453043;C=NN(C)CC(=C)C(C)=O;MTRVKHIWNNKWRQ-UHFFFAOYSA-N;140.19;0.68;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_P2";;;;;;;-0.24;;-3.24;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM453044;MM453044;CCC1=CCC(CF)OC1;VLDRIQBUUUSSCL-UHFFFAOYSA-N;144.19;2.08;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC5_SNa";;;;;;;1.64;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM453045;MM453045;CN(C)C=NC(=O)C=CN;RHPOPWPWIKJWFR-UHFFFAOYSA-N;141.17;-0.42;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_P1";;;;;;;-0.79;;-3.13;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM453046;MM453046;CCC1CC=C(OC)CO1;ADHIMWYKJCDFSM-UHFFFAOYSA-N;142.2;1.72;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC4_SNa";;;;;;;2.2;;0.34;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM453047;MM453047;O=CNC=NC=COC=O;UIYHKYSCGAJMQG-UHFFFAOYSA-N;142.11;-0.6;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_P1";;;;;;;-1.06;;-3.82;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM453048;MM453048;COC1=CCC(CN)OC1;LBICLDLXPDNIIT-UHFFFAOYSA-N;143.19;0.26;;;;;DOPC;MDCG;27;1;"MARTINI bead: SNa_SNda";;;;;;;0.87;;-4.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM453049;MM453049;CN(N)C=NC(=O)C=CN;YVAXAROTTDTZOJ-UHFFFAOYSA-N;142.16;-1.18;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_P1";;;;;;;-1.06;;-3.82;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM453050;MM453050;NNC1=NCC(CF)ON1;LHVTWFOHRRKGRT-UHFFFAOYSA-N;148.14;-1.32;;;;;DOPC;MDCG;27;1;"MARTINI bead: SP2_SP2";;;;;;;-1.34;;-5.98;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM453051;MM453051;CCC1=COC(CC)OC1;QPTZHIICOOPHSR-UHFFFAOYSA-N;142.2;2.06;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNa_SN0";;;;;;;1.17;;-1.18;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM453052;MM453052;C=CC=CN=CNCC=O;MWCRUELETUIAEE-UHFFFAOYSA-N;138.17;0.5;;;;;DOPC;MDCG;27;1;"MARTINI bead: C4_P5";;;;;;;0.22;;-4.43;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM453053;MM453053;C=CC=CN=CNCC#N;FJJWWSUSYUAMTL-UHFFFAOYSA-N;135.17;0.83;;;;;DOPC;MDCG;27;1;"MARTINI bead: C4_P2";;;;;;;1.09;;-1.36;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM453054;MM453054;CCC1=COC(CN)OC1;OEUNOFPNNIKUGW-UHFFFAOYSA-N;143.19;0.61;;;;;DOPC;MDCG;27;1;"MARTINI bead: SN0_SP2";;;;;;;0.06;;-3.51;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM453055;MM453055;CCC1OC=C(OC)CO1;LYMOFSFBVNRULR-UHFFFAOYSA-N;144.17;1.26;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNa_SP1";;;;;;;0.04;;-2.54;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM453056;MM453056;N#CC=CN=CNNC=N;CXWPOUFNJJCRLN-UHFFFAOYSA-N;137.15;-0.25;;;;;DOPC;MDCG;27;1;"MARTINI bead: P4_N0";;;;;;;-0.88;;-5.97;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM453057;MM453057;COC1=COC(CN)OC1;VPEWLSSCZFSXKN-UHFFFAOYSA-N;145.16;-0.19;;;;;DOPC;MDCG;27;1;"MARTINI bead: SP1_SP2";;;;;;;-1.06;;-5.13;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM453058;MM453058;C=NN=C(C)C=CC(C)=O;FKFKRLTVEUXODO-UHFFFAOYSA-N;138.17;1.21;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_C5";;;;;;;0.81;;-0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM453059;MM453059;COC1=COC(CO)OC1;ARKMPESPJORLHW-UHFFFAOYSA-N;146.14;-0.16;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP1_SP1";;;;;;;-0.79;;-3.13;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM453060;MM453060;C=C1CC(C)(O)C(C)C1=C;BWFUPJYVTMXODH-UHFFFAOYSA-N;138.21;1.89;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC3_SNda";;;;;;;2.57;;0.44;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM453061;MM453061;CCC1OCC(CN)=NO1;XJFJYUSRJOZLEV-UHFFFAOYSA-N;144.17;0.08;;;;;DOPC;MDCG;27;1;"MARTINI bead: SNa_SP2";;;;;;;-0.24;;-4.59;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM453062;MM453062;C=C1CC(O)(CC)CC1=C;QFKVGHCLAUMIQM-UHFFFAOYSA-N;138.21;2.03;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC5_SC4";;;;;;;2.97;;0.45;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM453063;MM453063;C=C(CNN=CC)C(C)=O;VMKTZVJKGSVIMP-UHFFFAOYSA-N;140.19;0.73;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nd_Na";;;;;;;0.87;;-1.88;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM453064;MM453064;OCC1=NOC(CO)OC1;QLTORNFYLFUSCB-UHFFFAOYSA-N;147.13;-1.3;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP2_SP2";;;;;;;-1.34;;-4.31;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM453065;MM453065;C=NN=CN=CNNC=N;PODFMTDIBGEIEI-UHFFFAOYSA-N;140.15;-0.64;;;;;DOPC;MDCG;27;1;"MARTINI bead: N0_P4";;;;;;;-0.88;;-5.96;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM453066;MM453066;OCC1OCC(CF)=NO1;XLAPEKXDVWASJD-UHFFFAOYSA-N;149.12;-0.32;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP2_SP1";;;;;;;-1.06;;-3.82;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM453067;MM453067;N=CNC=NC=NOC=O;HWVXENJNJBHOMC-UHFFFAOYSA-N;142.12;-0.67;;;;;DOPC;MDCG;27;1;"MARTINI bead: P2_P2";;;;;;;-1.34;;-5.66;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM453068;MM453068;CN=C(NN)OC(=O)CF;IIGFTBBBAGIIDR-UHFFFAOYSA-N;149.13;-1.05;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_Na";;;;;;;-0.24;;-3.24;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM453069;MM453069;C=NNC(C#CC)C=NN;MYNYYFZKCVRCOI-UHFFFAOYSA-N;138.17;-0.47;;;;;DOPC;MDCG;27;0;"MARTINI bead: N0_P1";;;;;;;0.34;;-1.53;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM453070;MM453070;C=C(F)CNC(C#N)=NC;NOHVDHYHRSSIMM-UHFFFAOYSA-N;141.15;0.61;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_C5";;;;;;;0.54;;-1.09;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM453071;MM453071;C=CC=NN=CNNC=N;DJASXDYGNZSTBS-UHFFFAOYSA-N;139.16;-0.11;;;;;DOPC;MDCG;27;1;"MARTINI bead: N0_P4";;;;;;;-0.88;;-5.93;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM453072;MM453072;CCC1=CCN(CC)CC1;JHNNAHOYZQINBS-UHFFFAOYSA-N;139.24;2.05;;;;;DOPC;MDCG;27;1;"MARTINI bead: SC5_SN0";;;;;;;1.94;;-0.71;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM453073;MM453073;CC(C#N)NNC(=N)C#N;TUHOPTQMWQNCJT-UHFFFAOYSA-N;137.15;-0.51;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_P2";;;;;;;-1.34;;-4.31;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM453074;MM453074;CCN1CC=C(CN)CC1;MWLSNECUOQEEMC-UHFFFAOYSA-N;140.23;0.6;;;;;DOPC;MDCG;27;1;"MARTINI bead: SC5_SP2";;;;;;;0.54;;-3.48;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM453075;MM453075;COC(=N)NC=C(F)C#N;QMBALTLZMPOCGV-UHFFFAOYSA-N;143.12;0.49;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_C5";;;;;;;0.54;;-1.09;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM453076;MM453076;CCN1CC=C(CO)CC1;OILAQNNMDGUUOX-UHFFFAOYSA-N;141.21;0.63;;;;;DOPC;MDCG;27;1;"MARTINI bead: SC5_SP1";;;;;;;0.81;;-1.95;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM453077;MM453077;CC=C(F)CC(CC)=NN;GNZKZNNPSLYHLE-UHFFFAOYSA-N;144.19;1.97;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_C4";;;;;;;2.97;;0.45;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM453078;MM453078;CCN1CC=C(CF)CC1;BQMVSCIYVCGIIM-UHFFFAOYSA-N;143.21;1.61;;;;;DOPC;MDCG;27;1;"MARTINI bead: SC5_SNa";;;;;;;1.64;;-1.5;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM453079;MM453079;C=C(C#N)C(=O)C(N)=NC;OGZUUOBELGZPHZ-UHFFFAOYSA-N;137.14;-0.38;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_Na";;;;;;;-0.24;;-3.24;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM453080;MM453080;CCN1CC=C(OC)CC1;YIHZKKUOTOHLTQ-UHFFFAOYSA-N;141.21;1.24;;;;;DOPC;MDCG;27;1;"MARTINI bead: SC5_SNa";;;;;;;1.64;;-1.45;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM453081;MM453081;CN(N=CCF)C(=N)C=O;JHORTUNHHDKFBV-UHFFFAOYSA-N;145.14;0.05;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_P2";;;;;;;-0.24;;-3.24;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM453082;MM453082;C=CC1=CCC(CN)CC1;YXQKKPKJTKUYTA-UHFFFAOYSA-N;137.23;1.86;;;;;DOPC;MDCG;27;1;"MARTINI bead: SC5_SC1";;;;;;;3.68;;0.56;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM453083;MM453083;C#CCNN=CC(F)=CF;RGVTZDUUPJDMMK-UHFFFAOYSA-N;144.12;0.98;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_P1";;;;;;;0.81;;-0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM453084;MM453084;CC=NNC(C)C(=O)OC;BYEZSZUBAWLQNH-UHFFFAOYSA-N;144.17;0.14;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_Nd";;;;;;;0.87;;-1.88;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM453085;MM453085;C=CC(NN=C)C(=O)OC;BFIUFIHBCRYIRO-UHFFFAOYSA-N;142.16;-0.08;;;;;DOPC;MDCG;27;0;"MARTINI bead: N0_P1";;;;;;;0.34;;-1.53;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM453086;MM453086;CC=NOC(=O)C(C)=CN;BROKPERMNONKRV-UHFFFAOYSA-N;142.16;0.4;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_Nd";;;;;;;0.87;;-1.88;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM453087;MM453087;C=CCC=NN=CNC=O;DWIWQNQUUXYAOG-UHFFFAOYSA-N;139.16;0.32;;;;;DOPC;MDCG;27;0;"MARTINI bead: C3_P4";;;;;;;0.52;;-1.59;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM453088;MM453088;C=CC1=CCC(NC)CC1;BDJYPJQMHKUSRT-UHFFFAOYSA-N;137.23;1.87;;;;;DOPC;MDCG;27;1;"MARTINI bead: SC5_SC1";;;;;;;3.68;;0.49;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM453089;MM453089;O=CCC=NN=CNC=O;CIRTWFTZFHSQGW-UHFFFAOYSA-N;141.13;-0.66;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_P1";;;;;;;0.04;;-2.54;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM453090;MM453090;C=CC1=NCC(CN)CN1;UFDBUJCKIFGCFP-UHFFFAOYSA-N;139.2;-0.25;;;;;DOPC;MDCG;27;1;"MARTINI bead: SP2_SNd";;;;;;;-0.24;;-6.82;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM453091;MM453091;C=CCN(C=N)N=CCF;HIGHPOGXDZJVRZ-UHFFFAOYSA-N;143.17;1.04;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_P1";;;;;;;0.04;;-2.54;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM453092;MM453092;CCC1CC=C(C=O)OC1;QAHOBSZAXQJZHC-UHFFFAOYSA-N;140.18;1.52;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC4_SNa";;;;;;;2.2;;0.34;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM453093;MM453093;C=CCN=C(NN)ON=C;ASNKZERNJCIOQC-UHFFFAOYSA-N;142.16;-0.38;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_C4";;;;;;;1.09;;-0.37;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM453094;MM453094;C=CC1=CCC(NC)CO1;XGZQSLIRAXQYRF-UHFFFAOYSA-N;139.2;1.06;;;;;DOPC;MDCG;27;1;"MARTINI bead: SNd_SC5";;;;;;;1.64;;-2.24;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM453095;MM453095;C=CC=NNC(C#N)C=C;YEABIKBYKTWRIT-UHFFFAOYSA-N;135.17;0.83;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nd_N0";;;;;;;1.17;;-1.04;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM453096;MM453096;CCC1CCC(C=O)=CN1;VQINFRPJELBIPS-UHFFFAOYSA-N;139.2;1.23;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC5_SP1";;;;;;;0.81;;-0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM453097;MM453097;CCN=CNC(C#N)=CF;NZWDGEFOWAQYJY-UHFFFAOYSA-N;141.15;0.96;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nd_Na";;;;;;;0.87;;-1.88;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM453098;MM453098;O=CC1=CNC(CO)CC1;SBCFEDPZUWMLCB-UHFFFAOYSA-N;141.17;-0.19;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP1_SP1";;;;;;;-0.79;;-3.13;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM453099;MM453099;C=C1CC(=NN)C2CC12F;NPCKXXUDEXGINO-UHFFFAOYSA-N;140.16;0.99;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNd_SC4";;;;;;;2.2;;0.32;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM453100;MM453100;C=CC=COC=CCC=C;RBWXUFCTVVNSPA-UHFFFAOYSA-N;136.19;2.79;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_C4";;;;;;;2.97;;0.45;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM453101;MM453101;C#CC(N)=C(F)C=NN=C;IYJBQPVNXLURNW-UHFFFAOYSA-N;139.13;0.45;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda_N0";;;;;;;1.17;;-1.13;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM453102;MM453102;C#CCNN=CC(C)C#C;CQAHSDBGTDMUBY-UHFFFAOYSA-N;134.18;0.46;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_P1";;;;;;;0.81;;-0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM453103;MM453103;C=CCC=COC=CC=O;FHWIZNRQAZTFBD-UHFFFAOYSA-N;138.17;1.81;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_Na";;;;;;;1.64;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM453104;MM453104;C=CCC=COC=CC#N;CAUQNWMGXVHFRC-UHFFFAOYSA-N;135.17;2.13;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_N0";;;;;;;1.94;;0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM453105;MM453105;C=CC1=NCC(CC)NN1;UPMCSJOCIRPCQA-UHFFFAOYSA-N;139.2;0.46;;;;;DOPC;MDCG;27;1;"MARTINI bead: SP1_SP2";;;;;;;-1.06;;-5.88;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM453106;MM453106;N#CCC=COC=CC=O;QBVRFEHGHKRQJN-UHFFFAOYSA-N;137.14;1.14;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_Na";;;;;;;0.87;;-2.22;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM453107;MM453107;CC1=C(C)N(C)CCC1=O;ZFNUTLUQDNJEGR-UHFFFAOYSA-N;139.2;1.18;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC5_SP1";;;;;;;0.81;;-0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM453108;MM453108;N#CC=COC=CCC#N;WYAKVAOJCSKXCY-UHFFFAOYSA-N;134.14;1.47;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_N0";;;;;;;0.34;;-1.53;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM453109;MM453109;C=CC1=COC(CN)CC1;HBHVVRDZVVYISH-UHFFFAOYSA-N;139.2;1.19;;;;;DOPC;MDCG;27;1;"MARTINI bead: SNda_SC5";;;;;;;1.64;;-1.94;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM453110;MM453110;N=CNC=COC=CC=O;KFIYFWCYXPYYQG-UHFFFAOYSA-N;140.14;0.38;;;;;DOPC;MDCG;27;1;"MARTINI bead: P2_Na";;;;;;;-0.24;;-6.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM453111;MM453111;N#CC1=COC(CF)CC1;HKTYUIYJWOHGTM-UHFFFAOYSA-N;141.15;1.54;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC5_SN0";;;;;;;1.94;;0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM453112;MM453112;C=CC1=COC(OC)CC1;AEYZUXDUDYOWPB-UHFFFAOYSA-N;140.18;1.84;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNa_SC5";;;;;;;1.64;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM453113;MM453113;C=CC=COC=COC=C;DYNQCFBCPHNSLP-UHFFFAOYSA-N;138.17;2.33;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_C4";;;;;;;2.2;;0.34;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM453114;MM453114;C=COC=COC=CC=O;ZBIPLMGXXDCFOV-UHFFFAOYSA-N;140.14;1.35;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_Na";;;;;;;0.87;;-2.22;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM453115;MM453115;COC1CCC(C=O)=CO1;WSTMCUHMBRPZBY-UHFFFAOYSA-N;142.15;0.85;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNa_SNa";;;;;;;0.87;;-2.22;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM453116;MM453116;C=CC1=NOC(CC)CC1;WMXVVVXWCKHPDH-UHFFFAOYSA-N;139.2;2.12;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC5_SN0";;;;;;;1.94;;0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM453117;MM453117;C=COC=COC=CC#N;VUIHNKRPFSDGHX-UHFFFAOYSA-N;137.14;1.67;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_N0";;;;;;;1.17;;-1.18;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM453118;MM453118;N#CC=COC=COC=O;WKRROLAQQZUIRI-UHFFFAOYSA-N;139.11;0.68;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_C5";;;;;;;0.81;;-0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM453119;MM453119;CCC1CCC(C=O)=NO1;FTBODXSIKSVQSK-UHFFFAOYSA-N;141.17;1.13;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC5_SNa";;;;;;;1.64;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM453120;MM453120;CNc1noc(=NOC)o1;NITFHHYDPFXYIW-UHFFFAOYSA-N;145.12;-0.23;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP2_P3";;;;;;;-2.2;;-5.19;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM453121;MM453121;O=CC1=NOC(CO)CC1;LDHUWXBSVKHZBK-UHFFFAOYSA-N;143.14;-0.29;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP1_SNa";;;;;;;0.04;;-2.54;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM453122;MM453122;C=NN=COC=CCC#N;RJJJPGYXWUILHK-UHFFFAOYSA-N;137.14;1.07;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_P1";;;;;;;0.81;;-0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM453123;MM453123;C=CC1=NOC(CF)CC1;ZEXOFTSVMHHPFZ-UHFFFAOYSA-N;143.16;1.68;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNa_SN0";;;;;;;1.17;;-1.18;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM453124;MM453124;C=COC=COC=NN=C;ZCKNMQIFBDYHIP-UHFFFAOYSA-N;140.14;1.28;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_N0";;;;;;;1.17;;-1.18;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM453125;MM453125;C=CC1=NOC(OC)CC1;KUPHIFWTOORGPT-UHFFFAOYSA-N;141.17;1.31;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNa_SN0";;;;;;;1.17;;-1.18;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM453126;MM453126;C=NN=COC=COC=O;NUAOEWXAFNMAQZ-UHFFFAOYSA-N;142.11;0.29;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_P1";;;;;;;0.81;;-0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM453127;MM453127;C=CC1=COC(CC)CO1;DUCPRMPMWFJKTP-UHFFFAOYSA-N;140.18;1.84;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNa_SNa";;;;;;;0.87;;-2.22;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM453128;MM453128;NC=CC(=O)N=CN1CC1;BQYWBCRMNKDIEL-UHFFFAOYSA-N;139.16;-0.67;;;;;DOPC;MDCG;27;0;"MARTINI bead: P3_SP1";;;;;;;-1.93;;-4.72;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM453129;MM453129;C=CC1=CCC(CC)NC1;BHUWIHVDUMBQAY-UHFFFAOYSA-N;137.23;1.87;;;;;DOPC;MDCG;27;1;"MARTINI bead: SC5_SN0";;;;;;;1.94;;-1.5;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM453130;MM453130;C=CCC=NOC=NN=C;MWILLNRYVXKBFR-UHFFFAOYSA-N;139.16;1.21;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_N0";;;;;;;1.17;;-1.18;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM453131;MM453131;CCC1CC=C(C=O)CN1;BKJWKEGCKVAIRR-UHFFFAOYSA-N;139.2;0.88;;;;;DOPC;MDCG;27;1;"MARTINI bead: SC5_SP1";;;;;;;0.81;;-2.59;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM453132;MM453132;C=COC=NOC=NN=C;SOSDLVFPHSHKFW-UHFFFAOYSA-N;141.13;0.75;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_N0";;;;;;;1.17;;-1.18;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM453133;MM453133;C=CC1=CCC(CC)OC1;OFHZZOPWQCXLMJ-UHFFFAOYSA-N;138.21;2.3;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC4_SC5";;;;;;;2.97;;0.45;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM453134;MM453134;C=NN=CON=CON=C;XRAMIUBRZZKTAH-UHFFFAOYSA-N;142.12;0.22;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_N0";;;;;;;1.17;;-1.18;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM453135;MM453135;C=CC1=COC(CC)OC1;OGRHENZUADFDPV-UHFFFAOYSA-N;140.18;1.84;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNa_SP1";;;;;;;0.04;;-2.54;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM453136;MM453136;C#CCC=CCC=CC=O;XCJHWMNCRCXKPL-UHFFFAOYSA-N;134.18;1.71;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_C5";;;;;;;1.64;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM453137;MM453137;C=CC1=COC(CN)OC1;OYJOYINYEQLDJS-UHFFFAOYSA-N;141.17;0.39;;;;;DOPC;MDCG;27;1;"MARTINI bead: SP2_SP1";;;;;;;-1.06;;-5.13;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM453138;MM453138;C#CCC=CCC=CC#N;QSQQKPCHYSZLGQ-UHFFFAOYSA-N;131.18;2.04;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_N0";;;;;;;1.94;;0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM453139;MM453139;O=CC1=COC(CO)OC1;SUNXPVPFZBBZNO-UHFFFAOYSA-N;144.13;-0.57;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP1_SP1";;;;;;;-0.79;;-3.13;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM453140;MM453140;C#CCC=CCC=NN=C;QRXZECWQZMJFJI-UHFFFAOYSA-N;134.18;1.64;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_C5";;;;;;;2.41;;0.64;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM453141;MM453141;C=CC1=COC(CF)OC1;ZQURLXSYLBHFSV-UHFFFAOYSA-N;144.15;1.4;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNa_SP1";;;;;;;0.04;;-2.54;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM453142;MM453142;C#CCC=CN=CNC=N;IVPXESCJZKPCOM-UHFFFAOYSA-N;135.17;0.75;;;;;DOPC;MDCG;27;1;"MARTINI bead: P2_N0";;;;;;;0.06;;-3.94;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM453143;MM453143;C=CC1=NOC(CC)OC1;YCRIVPZNGBBZPX-UHFFFAOYSA-N;141.17;1.31;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNa_SP1";;;;;;;0.04;;-2.54;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM453144;MM453144;C#CCNC=NC=CC=C;VXHHQVGWAPLWMO-UHFFFAOYSA-N;134.18;0.94;;;;;DOPC;MDCG;27;1;"MARTINI bead: C4_P2";;;;;;;1.09;;-1.98;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM453145;MM453145;CCC1OCC(C=O)=NO1;AXLZIDBEGGLRSA-UHFFFAOYSA-N;143.14;0.32;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNa_SP2";;;;;;;-0.24;;-3.24;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM453146;MM453146;C=CC#CC(F)C1CN1C;CNWWYIJYKCRUBQ-UHFFFAOYSA-N;139.17;0.83;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP1_C4";;;;;;;1.37;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM453147;MM453147;CNc1oc(=O)n(N)c1N;ACNKZXKFBVWWBW-UHFFFAOYSA-N;144.13;-1.22;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNd_SP3";;;;;;;-1.1;;-3.93;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM453148;MM453148;CCC(=O)C1C(C#N)N1C;JZYGWJJOGIKCDU-UHFFFAOYSA-N;138.17;0.17;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_SP1";;;;;;;0.04;;-2.54;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM453149;MM453149;O=CC1=NOC(CO)OC1;LKOGVVFZJSQIOC-UHFFFAOYSA-N;145.11;-1.09;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP2_SP2";;;;;;;-1.34;;-4.31;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM453150;MM453150;C=NN=CC=CNOC=O;JXGMRWLDFVEQDE-UHFFFAOYSA-N;141.13;-0.14;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_P2";;;;;;;0.54;;-1.09;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM453151;MM453151;C=CC1=CCN(CC)CC1;FNRAWQPGQRWSHV-UHFFFAOYSA-N;137.23;1.82;;;;;DOPC;MDCG;27;1;"MARTINI bead: SC5_SN0";;;;;;;1.94;;-0.8;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM453152;MM453152;CC=CCC=NNCC#N;LXOGVHDOWFENHL-UHFFFAOYSA-N;137.19;1.05;;;;;DOPC;MDCG;27;0;"MARTINI bead: C2_P1";;;;;;;2;;0.3;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM453153;MM453153;C#CC1=COC(CF)CC1;XGEZNSPXEVXXDY-UHFFFAOYSA-N;140.16;1.65;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC5_SN0";;;;;;;1.94;;0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM453154;MM453154;C#CC1=COC(OC)CC1;FMTIFAUIYBVUMB-UHFFFAOYSA-N;138.17;1.29;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNa_SN0";;;;;;;1.17;;-1.18;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM453155;MM453155;C#CCC=NN=CNC=O;XHNXORFNDXUQOC-UHFFFAOYSA-N;137.14;-0.23;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_N0";;;;;;;0.34;;-1.53;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM453156;MM453156;C#CC1=CCN(CC)CC1;RDMZCKSDKGEWAZ-UHFFFAOYSA-N;135.21;1.27;;;;;DOPC;MDCG;27;1;"MARTINI bead: SC5_SP1";;;;;;;0.81;;-2.25;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM453157;MM453157;CN(C=N)N=CCF;BAGRUXXDJAJVEF-UHFFFAOYSA-N;117.13;0.48;;;;;DOPC;MDCG;27;0;"MARTINI bead: P3_C5";;;;;;;-0.33;;-2.01;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM453158;MM453158;O=CC1CC=C(CF)CC1;HFJNURXYHOVJSV-UHFFFAOYSA-N;142.17;1.88;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC4_SNa";;;;;;;2.2;;0.34;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM453159;MM453159;C#CCC=COC=NN=C;GVTDMSNLKWHMSF-UHFFFAOYSA-N;136.15;1.18;;;;;DOPC;MDCG;27;0;"MARTINI bead: N0_Na";;;;;;;1.17;;-1.18;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM453160;MM453160;C=CC1CN=C(CO)NC1;UOKCVVZAGWNXGH-UHFFFAOYSA-N;140.19;-0.22;;;;;DOPC;MDCG;27;1;"MARTINI bead: SP1_SP1";;;;;;;-0.79;;-5.65;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM453161;MM453161;C#CCC=NOC=NN=C;HBXIEMAITWKBGY-UHFFFAOYSA-N;137.14;0.66;;;;;DOPC;MDCG;27;0;"MARTINI bead: N0_Na";;;;;;;1.17;;-1.18;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM453162;MM453162;C=CC1CN=C(NC)NC1;KCFHANRGRKXRPK-UHFFFAOYSA-N;139.2;-0.03;;;;;DOPC;MDCG;27;1;"MARTINI bead: SNd_SP1";;;;;;;0.04;;-7.37;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM453163;MM453163;C#CC=CCC=CCCC;UYUFJJPYOMPEFU-UHFFFAOYSA-N;134.22;2.92;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1_C4";;;;;;;4.24;;0.42;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM453164;MM453164;C#CC=CCC=CCCN;KPZBXGWZOBQSDU-UHFFFAOYSA-N;135.21;1.47;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_C4";;;;;;;2.2;;-2.18;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM453165;MM453165;C=CC1CN=C(NN)NC1;MFOKLQYGRZHATC-UHFFFAOYSA-N;140.19;-0.79;;;;;DOPC;MDCG;27;1;"MARTINI bead: SP2_SP1";;;;;;;-1.06;;-7.84;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM453166;MM453166;CNC1=NCC(C=O)CN1;JWDKYEMDMFGOFS-UHFFFAOYSA-N;141.17;-1.02;;;;;DOPC;MDCG;27;1;"MARTINI bead: SNd_SP2";;;;;;;-0.24;;-7.66;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM453167;MM453167;C#CC=CCC=CCCO;FNUVCVFWBFUTPA-UHFFFAOYSA-N;136.19;1.5;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda_C4";;;;;;;2.2;;0.49;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM453168;MM453168;C=CC1CC=C(CN)OC1;ZVMMASKIQHZZAF-UHFFFAOYSA-N;139.2;1.05;;;;;DOPC;MDCG;27;1;"MARTINI bead: SNda_SC4";;;;;;;2.2;;-0.71;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM453169;MM453169;C#CC=CCC=CCCF;UUVSUWHZOVHALD-UHFFFAOYSA-N;138.19;2.48;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4_C2";;;;;;;4.16;;0.44;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM453170;MM453170;C=CC1CC=C(CO)OC1;DDNHQPUBEVQGDX-UHFFFAOYSA-N;140.18;1.09;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNda_SC4";;;;;;;2.2;;0.49;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM453171;MM453171;C#CC=CCC=COCC;LGGFAQDMKHOYGA-UHFFFAOYSA-N;136.19;2.12;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_C4";;;;;;;2.97;;0.45;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM453172;MM453172;C=CC1CCC(CC)=NN1;KLIGYXIXDIAPEN-UHFFFAOYSA-N;138.21;1.69;;;;;DOPC;MDCG;27;0;"MARTINI bead: SN0_SNd";;;;;;;1.17;;-1.04;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM453173;MM453173;C#CC=CCC=NOCC;LHECCRPSARZXLT-UHFFFAOYSA-N;137.18;1.59;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_C4";;;;;;;2.2;;0.34;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM453174;MM453174;CC=CC1CN=C(C#N)N1;ZWJZHUQRZQJZHJ-UHFFFAOYSA-N;135.17;0.46;;;;;DOPC;MDCG;27;0;"MARTINI bead: SN0_SP1";;;;;;;0.34;;-1.53;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM453175;MM453175;C#CC=CNC=NCCN;OPCOKRNSSFYYNE-UHFFFAOYSA-N;137.19;-0.29;;;;;DOPC;MDCG;27;1;"MARTINI bead: P4_N0";;;;;;;-0.88;;-5.81;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM453176;MM453176;C=CC1CN=C(CC)NN1;QYOFMWQXWZOHDV-UHFFFAOYSA-N;139.2;0.46;;;;;DOPC;MDCG;27;1;"MARTINI bead: SP1_SP2";;;;;;;-1.06;;-6.01;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM453177;MM453177;CC(F)C=NNCCF;QZOGTZTUBVVVOZ-UHFFFAOYSA-N;136.15;0.89;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_P2";;;;;;;0.54;;-1.09;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM453178;MM453178;C=CC1CN=C(CF)NN1;UPOPCFHMPKBGSD-UHFFFAOYSA-N;143.17;0.02;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP2_SP2";;;;;;;-1.34;;-4.31;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM453179;MM453179;C#CC=COC=CCCC;IDJPFBPNUTUBPM-UHFFFAOYSA-N;136.19;2.46;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1_Na";;;;;;;2.91;;0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM453180;MM453180;C=CC1CNC(NN)=NN1;FMNRHYFBPUESDI-UHFFFAOYSA-N;141.18;-1.53;;;;;DOPC;MDCG;27;1;"MARTINI bead: SP2_SP2";;;;;;;-1.34;;-6.95;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM453181;MM453181;C#CC=COC=CCCN;FSDNMUYLOZQLGA-UHFFFAOYSA-N;137.18;1.01;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_N0";;;;;;;1.17;;-3.8;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM453182;MM453182;C=CC1=NN=C(C)CC1=C;KLCBXIWGJNVYCL-UHFFFAOYSA-N;134.18;1.95;;;;;DOPC;MDCG;27;0;"MARTINI bead: SN0_SC5";;;;;;;1.94;;0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM453183;MM453183;C#CC=COC=CCCO;FVMMJULYXGTRHL-UHFFFAOYSA-N;138.17;1.05;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda_Na";;;;;;;0.87;;-1.99;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM453184;MM453184;CCC1=COC(C=O)CC1;JRBKEFBYHPEORZ-UHFFFAOYSA-N;140.18;1.66;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC5_SNa";;;;;;;1.64;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM453185;MM453185;C#CC=COC=CCNC;PKGGHTKWJQQQPS-UHFFFAOYSA-N;137.18;0.88;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_Na";;;;;;;0.87;;-3.97;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM453186;MM453186;CCC1=COC(C#N)CC1;AOSJVJXDIDGAEF-UHFFFAOYSA-N;137.18;1.98;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC5_SNa";;;;;;;1.64;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM453187;MM453187;C#CC=COC=CCOC;IPKDWPXBKUCMTR-UHFFFAOYSA-N;138.17;1.31;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_C5";;;;;;;0.81;;-0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM453188;MM453188;O=CC1CCC(CO)=CO1;WCBCZFPKIMAOIQ-UHFFFAOYSA-N;142.15;0.24;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNda_SNa";;;;;;;0.87;;-1.99;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM453189;MM453189;C#CC=COC=COCC;QGHNYGNHHVLLIQ-UHFFFAOYSA-N;138.17;1.66;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_N0";;;;;;;1.17;;-1.18;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM453190;MM453190;C=CC1CCC(OC)=CO1;QMJPYMSHPCVFLX-UHFFFAOYSA-N;140.18;1.84;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNa_SC4";;;;;;;2.2;;0.34;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM453191;MM453191;Cc1c(N)c(F)nn1C;SIFXYOJUXPSAQA-UHFFFAOYSA-N;129.14;0.45;;;;;DOPC;MDCG;27;0;"MARTINI bead: SN0_SP1";;;;;;;0.34;;-1.53;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM453192;MM453192;COC1=COC(C=O)CC1;QCWQBHLMXVRFTD-UHFFFAOYSA-N;142.15;0.85;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNa_SNa";;;;;;;0.87;;-2.22;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM453193;MM453193;C#CC=NOC=NOCC;PTGPUJJFADLKCC-UHFFFAOYSA-N;140.14;0.6;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_Na";;;;;;;1.64;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM453194;MM453194;COC1=COC(C#N)CC1;NEUMCNJKMPQHJD-UHFFFAOYSA-N;139.15;1.18;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNa_SNa";;;;;;;0.87;;-2.22;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM453195;MM453195;C#CC=CCC=CCC=C;AINGJIIHBRHQGZ-UHFFFAOYSA-N;132.21;2.7;;;;;DOPC;MDCG;27;0;"MARTINI bead: C2_C4";;;;;;;4.16;;0.44;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM453196;MM453196;CNc1c[nH]c(N=N)c1N;ILSRWDGNMVZHNE-UHFFFAOYSA-N;139.16;1.3;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNd_SP1";;;;;;;0.04;;-2.63;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM453197;MM453197;C#CC=CCC=CCC=O;QFIAPOOVLBNUBZ-UHFFFAOYSA-N;134.18;1.71;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_C2";;;;;;;2.83;;0.35;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM453198;MM453198;C=NNCC#CC#CC=O;BEITZDUMVOSNKE-UHFFFAOYSA-N;134.14;-0.6;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nd_C5";;;;;;;1.64;;0.02;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM453199;MM453199;C#CC=CCC=COC=C;MZKOIGKFTZPNHE-UHFFFAOYSA-N;134.18;2.24;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_C4";;;;;;;2.97;;0.45;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM453200;MM453200;CCC1=NOC(C#N)CC1;SXCBTMTZSYCKQH-UHFFFAOYSA-N;138.17;1.45;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC5_SNa";;;;;;;1.64;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM453201;MM453201;C#CC=CCC=NNC=O;JMANLKKQNATLTR-UHFFFAOYSA-N;136.15;0.3;;;;;DOPC;MDCG;27;0;"MARTINI bead: P4_C2";;;;;;;0.77;;-0.87;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM453202;MM453202;C#CC#CC#CCNN=C;DYUZBQRPBJKZIK-UHFFFAOYSA-N;130.15;-0.17;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_C4";;;;;;;1.09;;-0.38;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM453203;MM453203;C#CC=CCC=NOC=O;FXBDTYGEFDRKOI-UHFFFAOYSA-N;137.14;0.72;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_C2";;;;;;;1.72;;0.27;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM453204;MM453204;Cn1nc(N)cc1F;KMAVDBNWDQYVSN-UHFFFAOYSA-N;115.11;0.14;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP1_SNa";;;;;;;0.04;;-2.54;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM453205;MM453205;C#CC=CN=CNNC=N;NFBLTMNUQOTZKH-UHFFFAOYSA-N;136.16;-0.14;;;;;DOPC;MDCG;27;1;"MARTINI bead: P3_Nd";;;;;;;-1.1;;-6.24;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM453206;MM453206;CC1=NC(N)=CC1=O;CAFWLHXFCYOEHH-UHFFFAOYSA-N;110.12;-0.17;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNd_SNa";;;;;;;0.87;;-1.88;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM453207;MM453207;C#CC=NN=CNNC=N;IYAWEKOJVPLFMY-UHFFFAOYSA-N;137.15;-0.67;;;;;DOPC;MDCG;27;1;"MARTINI bead: P4_C5";;;;;;;-0.41;;-4.96;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM453208;MM453208;C=CC1COC(CN)=CO1;COXHXRRNQCVJBZ-UHFFFAOYSA-N;141.17;0.39;;;;;DOPC;MDCG;27;1;"MARTINI bead: SP2_SNa";;;;;;;-0.24;;-4.61;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM453209;MM453209;C#CC=COC=CCC=C;GULAZTFYUZDHFC-UHFFFAOYSA-N;134.18;2.24;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_N0";;;;;;;1.94;;0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM453210;MM453210;C=CC1COC(CC)=NO1;LTFJNRNVYZZPLV-UHFFFAOYSA-N;141.17;1.31;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNa_SNa";;;;;;;0.87;;-2.22;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM453211;MM453211;C#CC=COC=CCC#N;UJGMNQFYWRBHBR-UHFFFAOYSA-N;133.15;1.58;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_N0";;;;;;;1.17;;-1.18;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM453212;MM453212;C=CC1CN=C(NC)NN1;IHEYQUBQZIVCSM-UHFFFAOYSA-N;140.19;-0.78;;;;;DOPC;MDCG;27;1;"MARTINI bead: SP2_SP2";;;;;;;-1.34;;-8.34;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM453213;MM453213;C#CC=COC=CNC=O;XJQUWXGIWSLEAL-UHFFFAOYSA-N;137.14;0.37;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_N0";;;;;;;0.34;;-1.53;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM453214;MM453214;C=CC1CN=C(NO)NN1;BZGVMZUIQVDSNI-UHFFFAOYSA-N;142.16;-1.02;;;;;DOPC;MDCG;27;1;"MARTINI bead: SP3_SP2";;;;;;;-2.2;;-7.15;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM453215;MM453215;C#CC=COC=COC=C;ISEHFBBSIDPWEO-UHFFFAOYSA-N;136.15;1.78;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_N0";;;;;;;1.17;;-1.18;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM453216;MM453216;C=CC1CC=C(CC)CO1;AMWKYCVLVDGLDB-UHFFFAOYSA-N;138.21;2.3;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC5_SC5";;;;;;;2.41;;0.64;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM453217;MM453217;C#CC=CCC=CCC#C;NUQSMQBZNGWQBX-UHFFFAOYSA-N;130.19;2.15;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_C4";;;;;;;2.97;;0.45;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM453218;MM453218;C=CC1CC=C(CO)CO1;HJAREGQDPMZUMU-UHFFFAOYSA-N;140.18;0.88;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP1_SC5";;;;;;;0.81;;-0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM453219;MM453219;CC=CC=CCC=CCC;YIXARXZPJOTENN-UHFFFAOYSA-N;136.24;3.48;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1_C2";;;;;;;4.87;;0.53;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM453220;MM453220;O=CC1CC=C(CO)CO1;WQANNDQHBUYWDO-UHFFFAOYSA-N;142.15;-0.11;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP1_SNa";;;;;;;0.04;;-2.54;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM453221;MM453221;CC=CC=CCC=CCN;SUSOTJDUQFFPEF-UHFFFAOYSA-N;137.23;2.02;;;;;DOPC;MDCG;27;1;"MARTINI bead: C1_Nd";;;;;;;2.91;;-0.08;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM453222;MM453222;C=CC1CC=C(OC)CO1;SQEWLANOKHKBBI-UHFFFAOYSA-N;140.18;1.49;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNa_SC5";;;;;;;1.64;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM453223;MM453223;CC=CC=CCC=CCO;DWSIHJIVFDEBIC-UHFFFAOYSA-N;138.21;2.06;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1_P1";;;;;;;2.08;;0.48;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM453224;MM453224;C=CC1OC=C(CC)CO1;FXERIMYUMBVAMX-UHFFFAOYSA-N;140.18;1.84;;;;;DOPC;MDCG;27;0;"MARTINI bead: SN0_SNa";;;;;;;1.17;;-1.18;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM453225;MM453225;Nc1ccn(N)c(=O)c1;QAARABUBMYPCGG-UHFFFAOYSA-N;125.13;-0.86;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNd_SP1";;;;;;;0.04;;-2.63;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM453226;MM453226;C=CC1OC=C(CN)CO1;QXGYXLKEZNIYQS-UHFFFAOYSA-N;141.17;0.39;;;;;DOPC;MDCG;27;1;"MARTINI bead: SP2_SNa";;;;;;;-0.24;;-5.34;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM453227;MM453227;CC=CC=CCC=COC;ZVLDHQFBZXZEFG-UHFFFAOYSA-N;138.21;2.67;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_C1";;;;;;;2.91;;0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM453228;MM453228;CCC1=COC(C=O)OC1;VMNRLJFMOJYJEQ-UHFFFAOYSA-N;142.15;0.85;;;;;DOPC;MDCG;27;0;"MARTINI bead: SN0_SP1";;;;;;;0.34;;-1.53;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM453229;MM453229;CC=CC=CCC=NOC;IELUWCSOWJYMAW-UHFFFAOYSA-N;139.2;2.14;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_C2";;;;;;;2.83;;0.35;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM453230;MM453230;N#CC1OC=C(CF)CO1;ZJZZLWCNCSELDK-UHFFFAOYSA-N;143.12;0.74;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNa_SNa";;;;;;;0.87;;-2.22;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM453231;MM453231;CC=NN=CCC=CCN;REGDJXJAULHZCC-UHFFFAOYSA-N;139.2;0.97;;;;;DOPC;MDCG;27;1;"MARTINI bead: C5_Nd";;;;;;;1.64;;-2.14;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM453232;MM453232;COC1=COC(C=O)OC1;FZMRXVCKKSNMHT-UHFFFAOYSA-N;144.13;0.05;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP1_SP1";;;;;;;-0.79;;-3.13;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM453233;MM453233;CC=NN=CCC=CCF;PZCBQEDJAVOESK-UHFFFAOYSA-N;142.18;1.98;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_C4";;;;;;;2.97;;0.45;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM453234;MM453234;COC1=COC(C#N)OC1;HZYFWWYOZWKBQN-UHFFFAOYSA-N;141.13;0.37;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP1_SNa";;;;;;;0.04;;-2.54;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM453235;MM453235;CC=NN=CCC=NNC;GNFLHVNMRRPGME-UHFFFAOYSA-N;140.19;0.66;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nd_C5";;;;;;;1.64;;0.02;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM453236;MM453236;C=CC1OCC(CC)=NO1;ZLAZWWQMOYXKHX-UHFFFAOYSA-N;141.17;1.31;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP1_SNa";;;;;;;0.04;;-2.54;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM453237;MM453237;CC=CC=CNC=NCC;DWSJFYLHVJVADP-UHFFFAOYSA-N;138.21;1.71;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_C1";;;;;;;2.91;;-0.69;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM453238;MM453238;N#CC1COC(=N)N1;XOMJZYCOKJYBGU-UHFFFAOYSA-N;111.1;-0.57;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP2_SP2";;;;;;;-1.34;;-4.31;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM453239;MM453239;CCN=CN=CC=CNN;XMBVHWZKBMPGCJ-UHFFFAOYSA-N;140.19;0.08;;;;;DOPC;MDCG;27;1;"MARTINI bead: C5_P2";;;;;;;0.54;;-2.1;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM453240;MM453240;N#CC1OCC(CO)=NO1;ARZXZPMGQGMZSD-UHFFFAOYSA-N;142.11;-0.77;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP2_SP1";;;;;;;-1.06;;-3.82;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM453241;MM453241;CC=CC=CNC=NOC;OJFAMWBPXMLPCX-UHFFFAOYSA-N;140.19;1.26;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_C5";;;;;;;0.81;;-0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM453242;MM453242;CCC1=CCN(C=N)CC1;GQZVZVRILPZCBD-UHFFFAOYSA-N;138.21;1.64;;;;;DOPC;MDCG;27;1;"MARTINI bead: SN0_SNd";;;;;;;1.17;;-4.76;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM453243;MM453243;COC=CNC=NC=NO;CQVACMBVTLQKRP-UHFFFAOYSA-N;143.15;0.14;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_P2";;;;;;;-0.24;;-3.24;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM453244;MM453244;N=CN1CC=C(CN)CC1;YLXJJIXILKOBQZ-UHFFFAOYSA-N;139.2;0.18;;;;;DOPC;MDCG;27;1;"MARTINI bead: SP2_SNd";;;;;;;-0.24;;-6.83;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM453245;MM453245;Cc1nnc(=N)oc1N;FBSCYBWAUSNEMX-UHFFFAOYSA-N;126.12;-0.56;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP3_SP3";;;;;;;-3.07;;-6.15;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM453246;MM453246;N=CN1CC=C(CO)CC1;WSFDGIRBBVEKCE-UHFFFAOYSA-N;140.19;0.22;;;;;DOPC;MDCG;27;1;"MARTINI bead: SP1_SNd";;;;;;;0.04;;-6.34;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM453247;MM453247;CCN1C=NC(=O)CC1;OFVAGNIAQGFXAD-UHFFFAOYSA-N;126.16;0.27;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNd_SP2";;;;;;;-0.24;;-3.16;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM453248;MM453248;N=CN1CC=C(CF)CC1;YJZTZYJMNZLEIC-UHFFFAOYSA-N;142.18;1.2;;;;;DOPC;MDCG;27;1;"MARTINI bead: SNa_SNd";;;;;;;0.87;;-5.6;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM453249;MM453249;C=CCC=NNCC#N;LOAKXWOLAFFQIS-UHFFFAOYSA-N;123.16;0.66;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4_P1";;;;;;;1.37;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM453250;MM453250;CCC1=CCN(C=O)CC1;UDMOFPYTCHBZNT-UHFFFAOYSA-N;139.2;1.18;;;;;DOPC;MDCG;27;0;"MARTINI bead: SN0_SNda";;;;;;;1.17;;-1.13;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM453251;MM453251;CNNC=NC=NC=NO;ZNVQRNCEBYHHMI-UHFFFAOYSA-N;143.15;-0.82;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_P2";;;;;;;-1.34;;-4.31;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM453252;MM453252;NCC1=CCN(C=O)CC1;SWYJMMLFJNCIET-UHFFFAOYSA-N;140.19;-0.27;;;;;DOPC;MDCG;27;1;"MARTINI bead: SP2_SNda";;;;;;;-0.24;;-5.25;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM453253;MM453253;CCCN(C)C=CC(C)=O;ZXIZZFYRPGGJSN-UHFFFAOYSA-N;141.21;1.43;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_P1";;;;;;;0.81;;-0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM453254;MM453254;O=CN1CC=C(CO)CC1;PARULQBOTHXEDT-UHFFFAOYSA-N;141.17;-0.23;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP1_SNda";;;;;;;0.04;;-2.73;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM453255;MM453255;CC(=O)C=CN(C)C(C)C;ANPQVPDXOMBYJV-UHFFFAOYSA-N;141.21;1.43;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nd_Na";;;;;;;0.87;;-1.88;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM453256;MM453256;ON=CN=CNN=CCF;JELMNRODFWKXTR-UHFFFAOYSA-N;146.13;-0.02;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_Na";;;;;;;-0.24;;-3.24;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM453257;MM453257;O=CN1CC=C(CF)CC1;LSKUADNVUZPXOD-UHFFFAOYSA-N;143.16;0.74;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNa_SNda";;;;;;;0.87;;-1.99;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM453258;MM453258;CC(=O)CCCN(C)C=O;IAHWMASKLCOYNJ-UHFFFAOYSA-N;143.19;0.44;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_Na";;;;;;;-0.24;;-3.24;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM453259;MM453259;COC1=CCN(C=N)CC1;XBKKYPVQJJOOFS-UHFFFAOYSA-N;140.19;0.83;;;;;DOPC;MDCG;27;1;"MARTINI bead: SNa_SNd";;;;;;;0.87;;-5.51;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM453260;MM453260;N#CC(F)=CNC(=N)CF;YVVCFCHWSUMQKT-UHFFFAOYSA-N;145.11;0.86;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_C5";;;;;;;0.54;;-1.09;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM453261;MM453261;COC1=CCN(C=O)CC1;PJJLMIJTCISATJ-UHFFFAOYSA-N;141.17;0.38;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNa_SNda";;;;;;;0.87;;-1.99;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM453262;MM453262;CCN(C=CC(C)=O)CC;WIMRHTBSYMSAKI-UHFFFAOYSA-N;141.21;1.43;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_P1";;;;;;;0.81;;-0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM453263;MM453263;C=NN1CC=C(CC)CC1;PWGBFIISXLJCDY-UHFFFAOYSA-N;138.21;1.64;;;;;DOPC;MDCG;27;0;"MARTINI bead: SN0_SN0";;;;;;;1.47;;-0.05;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM453264;MM453264;CC=CC=COC=CCC;SUGNFJDHYZTGHC-UHFFFAOYSA-N;138.21;3.02;;;;;DOPC;MDCG;27;0;"MARTINI bead: C3_C5";;;;;;;3.34;;0.48;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM453265;MM453265;C=NN1CC=C(CN)CC1;VWMQYKDIPURPJC-UHFFFAOYSA-N;139.2;0.19;;;;;DOPC;MDCG;27;1;"MARTINI bead: SP2_SN0";;;;;;;0.06;;-4.45;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM453266;MM453266;CCC=COC=CC=CF;HRFONHIYBSVVCJ-UHFFFAOYSA-N;142.17;2.92;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_C4";;;;;;;2.97;;0.45;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM453267;MM453267;CC1=C(N)N=CC1=O;FNPBJCICCHRTJO-UHFFFAOYSA-N;110.12;-0.17;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNd_SNa";;;;;;;0.87;;-1.88;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM453268;MM453268;NCC=COC=CC=CF;YFVNESILTFIQLO-UHFFFAOYSA-N;143.16;1.47;;;;;DOPC;MDCG;27;1;"MARTINI bead: P2_C4";;;;;;;1.09;;-2.51;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM453269;MM453269;C=NN1CC=C(CF)CC1;ZYDWRSSNWYLGHK-UHFFFAOYSA-N;142.18;1.2;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNa_SN0";;;;;;;1.17;;-1.18;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM453270;MM453270;CC=CC=COC=CCO;RRVFJAOSCOTHOB-UHFFFAOYSA-N;140.18;1.6;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1_P2";;;;;;;1.8;;0.4;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM453271;MM453271;C=NN1CC=C(OC)CC1;BSECIUDBRFXJHW-UHFFFAOYSA-N;140.19;0.84;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNa_SN0";;;;;;;1.17;;-1.18;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM453272;MM453272;CCC=COC=CC=NN;IYHYUQLYOXWMPN-UHFFFAOYSA-N;140.19;1.38;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_Nd";;;;;;;1.64;;0.02;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM453273;MM453273;N=CN1CC=C(CN)CN1;UQZNNDOARSKTAH-UHFFFAOYSA-N;140.19;-0.7;;;;;DOPC;MDCG;27;1;"MARTINI bead: SP3_SP2";;;;;;;-2.2;;-7.35;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM453274;MM453274;CCC=COC=CC=NO;VXLLLJUMTVVBMV-UHFFFAOYSA-N;141.17;1.9;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_Nda";;;;;;;1.64;;0.05;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM453275;MM453275;N=CN1CC=C(CO)CN1;DUKAYKKPMGWYJA-UHFFFAOYSA-N;141.17;-0.67;;;;;DOPC;MDCG;27;1;"MARTINI bead: SP2_SP2";;;;;;;-1.34;;-6.37;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM453276;MM453276;CN(C=NC=N)N=CCF;YCIZQCSPMPDTEA-UHFFFAOYSA-N;144.15;0.51;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_P2";;;;;;;-0.24;;-3.24;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM453277;MM453277;CCC1=CCN(C=O)NC1;YAAPNPDISCIHEU-UHFFFAOYSA-N;140.19;0.3;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP1_SP1";;;;;;;-0.79;;-3.13;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM453278;MM453278;ON=CC=COC=CCF;WRZSAZMIHIWEIS-UHFFFAOYSA-N;145.13;1.46;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_C5";;;;;;;0.81;;-0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM453279;MM453279;NCC1=CCN(C=O)NC1;DDNXOKGKTAVLCP-UHFFFAOYSA-N;141.17;-1.15;;;;;DOPC;MDCG;27;1;"MARTINI bead: SP3_SP1";;;;;;;-1.93;;-6.32;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM453280;MM453280;COC=COC=CC=NN;MMFQFUXEPFYVJO-UHFFFAOYSA-N;142.16;0.58;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_Nd";;;;;;;0.87;;-1.88;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM453281;MM453281;C=NNC(C)CCC#N;NIZJYDQRFVOSNR-UHFFFAOYSA-N;125.18;0.88;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_P1";;;;;;;0.81;;-0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM453282;MM453282;COC=COC=CC=NO;GQOWMGFGAAJZQJ-UHFFFAOYSA-N;143.14;1.09;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_P1";;;;;;;0.81;;-0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM453283;MM453283;COC1=CCN(C=N)NC1;AVBCICOCTPPGEZ-UHFFFAOYSA-N;141.17;-0.06;;;;;DOPC;MDCG;27;1;"MARTINI bead: SP2_SP2";;;;;;;-1.34;;-6.3;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM453284;MM453284;N#CCCNNC(=N)C#N;VSMZNLSPAQEBHE-UHFFFAOYSA-N;137.15;-0.5;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_P3";;;;;;;-1.93;;-4.72;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM453285;MM453285;COC1=CCN(C=O)NC1;IAPXPNKGDKNODU-UHFFFAOYSA-N;142.16;-0.51;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP2_SP1";;;;;;;-1.06;;-3.82;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM453286;MM453286;C=NNC=C(C#N)OCC;ZJKKMVUAUCJFFV-UHFFFAOYSA-N;139.16;0.59;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_P1";;;;;;;0.81;;-0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM453287;MM453287;CCC1=CCN(C=O)OC1;UVIBIIPHEXADIU-UHFFFAOYSA-N;141.17;0.73;;;;;DOPC;MDCG;27;0;"MARTINI bead: SN0_SNa";;;;;;;1.17;;-1.18;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM453288;MM453288;CON=COC=CC=CF;SOLRBVGEDASEQW-UHFFFAOYSA-N;145.13;1.59;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_C4";;;;;;;1.09;;-0.38;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM453289;MM453289;NCC1=CCN(C=O)OC1;XRACMZWKJDMVNS-UHFFFAOYSA-N;142.16;-0.72;;;;;DOPC;MDCG;27;1;"MARTINI bead: SP2_SNa";;;;;;;-0.24;;-5.11;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM453290;MM453290;CC=NN=COC=CCC;MRNWYDZTCKCYKC-UHFFFAOYSA-N;140.19;1.96;;;;;DOPC;MDCG;27;0;"MARTINI bead: C3_P1";;;;;;;1.74;;0.29;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM453291;MM453291;COC1=CCN(C=O)OC1;UBTHLNSOEXBYMX-UHFFFAOYSA-N;143.14;-0.08;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNa_SNa";;;;;;;0.87;;-2.22;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM453292;MM453292;CC=NN=COC=CCN;TVYGQDCBPINEMZ-UHFFFAOYSA-N;141.17;0.51;;;;;DOPC;MDCG;27;1;"MARTINI bead: C5_P2";;;;;;;0.54;;-3.25;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM453293;MM453293;C=CC1CC=C(C=O)CC1;YQYKLWIDPWLECV-UHFFFAOYSA-N;136.19;2.1;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC2_SNa";;;;;;;2.83;;0.35;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM453294;MM453294;CC=NN=COC=CCO;FVNLFKVGIFGDLW-UHFFFAOYSA-N;142.16;0.54;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_Nda";;;;;;;0.87;;-1.99;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM453295;MM453295;O=CC1=CCC(C=O)CC1;DIVRACWSKWSFEB-UHFFFAOYSA-N;138.17;1.11;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNa_SNa";;;;;;;0.87;;-2.22;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM453296;MM453296;CC=NN=COC=COC;PAPVTACICFGDRA-UHFFFAOYSA-N;142.16;1.15;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_Na";;;;;;;0.87;;-2.22;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM453297;MM453297;N#CC1CC=C(C=O)CC1;PXFGWEBRIXPSDC-UHFFFAOYSA-N;135.17;1.44;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNa_SC5";;;;;;;1.64;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM453298;MM453298;Cn1cnc(=O)c(N)c1N;HRAAOQLDXBMDJS-UHFFFAOYSA-N;140.15;-1.06;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP2_SP1";;;;;;;-1.06;;-3.82;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM453299;MM453299;N#CC1=CCC(C=O)CC1;KIYOBUCSKUGTCT-UHFFFAOYSA-N;135.17;1.44;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNa_SC5";;;;;;;1.64;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM453300;MM453300;CC=NN=CON=CCC;ANPYWACMMMXRJH-UHFFFAOYSA-N;141.17;1.43;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_C5";;;;;;;1.64;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM453301;MM453301;O=CC1=CCC(C=O)CO1;LZXBJMVDBMFHRD-UHFFFAOYSA-N;140.14;0.3;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNa_SNa";;;;;;;0.87;;-2.22;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM453302;MM453302;CC=NN=CON=CCN;FLIZQOJGFDAMPP-UHFFFAOYSA-N;142.16;-0.02;;;;;DOPC;MDCG;27;1;"MARTINI bead: C5_P2";;;;;;;0.54;;-2.49;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM453303;MM453303;C=CC1=NNC(C=C)CC1;OWBUKEZKZVGCQE-UHFFFAOYSA-N;136.2;1.47;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNd_SN0";;;;;;;1.17;;-1.04;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM453304;MM453304;CON=CNN(C=N)C=O;RLVYZTFLOMAHKR-UHFFFAOYSA-N;144.13;-0.85;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_P4";;;;;;;-2.01;;-5.13;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM453305;MM453305;CN1C(=N)C=C(N)C1=O;ZJZICCAVBFQOCW-UHFFFAOYSA-N;125.13;-0.72;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP1_SP2";;;;;;;-1.06;;-3.82;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM453306;MM453306;CNC(OC)=C(F)C=NN;KNAYZDGQQSCPHQ-UHFFFAOYSA-N;147.15;-0.06;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_C5";;;;;;;0.54;;-1.09;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM453307;MM453307;C=CC1=COC(C=C)CC1;SDTRDCQTCYTNFU-UHFFFAOYSA-N;136.19;2.42;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC4_SC5";;;;;;;2.97;;0.45;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM453308;MM453308;CN=c1nnc(C)c(N)o1;MBAZDUBHPCIVGI-UHFFFAOYSA-N;140.15;-0.51;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP2_SP3";;;;;;;-2.2;;-5.19;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM453309;MM453309;C=CC1CCC(C=O)=CO1;AECDARZURWWLMB-UHFFFAOYSA-N;138.17;1.43;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC4_SNa";;;;;;;2.2;;0.34;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM453310;MM453310;O=CC1=NC2CC2(CF)N1;BTULCEYNMWDFJZ-UHFFFAOYSA-N;142.13;-0.33;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC5_SP2";;;;;;;0.54;;-1.09;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM453311;MM453311;C=CC1=COC(C=O)CC1;QVJUJRRWTHSWAX-UHFFFAOYSA-N;138.17;1.43;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC5_SNa";;;;;;;1.64;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM453312;MM453312;C=CC=CCC=CC=CC;JCMMCQUCFAEFEK-UHFFFAOYSA-N;134.22;3.25;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1_C4";;;;;;;4.24;;0.42;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM453313;MM453313;C=CC1=COC(C#N)CC1;PAZNLWIDHWWALL-UHFFFAOYSA-N;135.17;1.76;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC5_SNa";;;;;;;1.64;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM453314;MM453314;CC=CC=CCC=CC#N;PZKNBWDJVQSWPV-UHFFFAOYSA-N;133.19;2.59;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1_N0";;;;;;;3.21;;0.46;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM453315;MM453315;O=CC1=COC(C=O)CC1;SSVCXUUKGPQPSB-UHFFFAOYSA-N;140.14;0.45;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNa_SNa";;;;;;;0.87;;-2.22;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM453316;MM453316;C=NN=CCC=CC=CC;FIJIVKWDGNOBJL-UHFFFAOYSA-N;136.2;2.2;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1_N0";;;;;;;3.21;;0.46;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM453317;MM453317;N#CC1CCC(C=O)=CO1;SBWQYLOPPILRRO-UHFFFAOYSA-N;137.14;0.77;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNa_SNa";;;;;;;0.87;;-2.22;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM453318;MM453318;C=CC=CCC=NN=CC;PXJJSPNAUVDBPW-UHFFFAOYSA-N;136.2;2.2;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_C1";;;;;;;3.68;;0.46;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM453319;MM453319;N#CC1=COC(C=O)CC1;AFLKYMOCSOMMAV-UHFFFAOYSA-N;137.14;0.77;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNa_SN0";;;;;;;1.17;;-1.18;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM453320;MM453320;CC=NN=CCC=CC=O;BXGKYJXBXSPCKW-UHFFFAOYSA-N;138.17;1.21;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_Na";;;;;;;1.64;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM453321;MM453321;C=CC1=NOC(C=C)CC1;TVFZKVQTTCUWHL-UHFFFAOYSA-N;137.18;1.89;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC5_SN0";;;;;;;1.94;;0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM453322;MM453322;CC=NN=CCC=CC#N;VNAARLHJLIKFPV-UHFFFAOYSA-N;135.17;1.53;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_N0";;;;;;;1.94;;0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM453323;MM453323;C=CC1CCC(C#N)=NO1;CNTDYOAOPIJYKN-UHFFFAOYSA-N;136.15;1.23;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC5_SP1";;;;;;;0.81;;-0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM453324;MM453324;N#CC=CNC=CC=NO;LYPHQXVWGRSSTD-UHFFFAOYSA-N;137.14;0.59;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_N0";;;;;;;0.06;;-2.21;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM453325;MM453325;C=CC1=NOC(C#N)CC1;GQBYMWHTKBEAEB-UHFFFAOYSA-N;136.15;1.23;;;;;DOPC;MDCG;27;0;"MARTINI bead: SN0_SNa";;;;;;;1.17;;-1.18;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM453326;MM453326;CC=CC=CN=CNC=N;DMSWSNGIOQKFPX-UHFFFAOYSA-N;137.19;1.3;;;;;DOPC;MDCG;27;1;"MARTINI bead: C1_P4";;;;;;;0.85;;-2.25;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM453327;MM453327;C=NOC(=N)NN1CC1;UFCLGBWORAQOCY-UHFFFAOYSA-N;128.14;-0.63;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_SP3";;;;;;;-1.93;;-4.72;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM453328;MM453328;CC=CC=CN=CNC=O;CLNFELHHKGIQJI-UHFFFAOYSA-N;138.17;0.85;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1_P4";;;;;;;0.85;;-0.64;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM453329;MM453329;N#CC1CCC(C=O)=NO1;IPGGPLSMFVYBDU-UHFFFAOYSA-N;138.13;0.24;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNa_SNa";;;;;;;0.87;;-2.22;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM453330;MM453330;O=CNC=NC=CC=CF;DMKOATGPDCPKFT-UHFFFAOYSA-N;142.13;0.76;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4_P3";;;;;;;0.23;;-1.03;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM453331;MM453331;C=CC1=NOC(C=C)CO1;GWNYJBXOBHRXJV-UHFFFAOYSA-N;139.15;1.09;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNa_SNa";;;;;;;0.87;;-2.22;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM453332;MM453332;N=CNC=NC=CC=NO;XTUGPGDZHNUIBG-UHFFFAOYSA-N;140.15;0.19;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1_P2";;;;;;;-1.06;;-5.48;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM453333;MM453333;C=CC1COC(C=O)=NO1;UIUIEXRMSFZJBP-UHFFFAOYSA-N;141.13;0.1;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNa_SP1";;;;;;;0.04;;-2.54;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM453334;MM453334;CN=c1nnoc(C)c1N;BVSRUXIIQTYWCS-UHFFFAOYSA-N;140.15;-0.51;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNa_SP2";;;;;;;-0.24;;-3.24;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM453335;MM453335;C=CC1OC=C(C=O)CO1;HIZMWAPFZHDZJQ-UHFFFAOYSA-N;140.14;0.63;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNa_SP1";;;;;;;0.04;;-2.54;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM453336;MM453336;CC1CC1C=NNCC#N;UGYBFCXQQMYLPP-UHFFFAOYSA-N;137.19;0.74;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC5_P3";;;;;;;-0.33;;-2.01;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM453337;MM453337;C=CC1=COC(C#N)OC1;KSQWWFWALGVRHX-UHFFFAOYSA-N;137.14;0.95;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP1_SNa";;;;;;;0.04;;-2.54;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM453338;MM453338;CC#CC(=O)C1CN1C=O;ZLVNLCINTSQLKQ-UHFFFAOYSA-N;137.14;-0.58;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_SP2";;;;;;;0.54;;-1.09;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM453339;MM453339;O=CC1=COC(C=O)OC1;MDWHUMMQVVADKF-UHFFFAOYSA-N;142.11;-0.36;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP1_SP1";;;;;;;-0.79;;-3.13;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM453340;MM453340;COCON=CNOC=O;VPPPRDDPONWAET-UHFFFAOYSA-N;148.12;-0.77;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_P2";;;;;;;-1.34;;-4.31;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM453341;MM453341;C=CC1OCC(C=O)=NO1;MKGHFENPCLQALR-UHFFFAOYSA-N;141.13;0.1;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNa_SP2";;;;;;;-0.24;;-3.24;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM453342;MM453342;C=CC1=NOC(C#N)OC1;WUTAHAMSPFAUOT-UHFFFAOYSA-N;138.13;0.42;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP1_SP1";;;;;;;-0.79;;-3.13;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM453343;MM453343;C#CCCC=NNCC#N;JCOJGINETPSFTF-UHFFFAOYSA-N;135.17;0.5;;;;;DOPC;MDCG;27;0;"MARTINI bead: C3_P3";;;;;;;0.6;;-0.8;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM453344;MM453344;C=CC1(C=O)C=NNC1;LOHZWOAZYWXHID-UHFFFAOYSA-N;124.14;-0.05;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNa_SP1";;;;;;;0.04;;-2.54;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM453345;MM453345;CN=CN=CN=CNC=N;HXCNXYWYFKEYKD-UHFFFAOYSA-N;139.16;-0.1;;;;;DOPC;MDCG;27;1;"MARTINI bead: N0_P3";;;;;;;-0.8;;-4.38;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM453346;MM453346;C=CC1=CCN(C=N)CC1;OAGIOVWDXMMOCM-UHFFFAOYSA-N;136.2;1.41;;;;;DOPC;MDCG;27;1;"MARTINI bead: SN0_SNd";;;;;;;1.17;;-4.75;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM453347;MM453347;CN=CN=CN=CNC=O;HJCVYGGZFUOIPT-UHFFFAOYSA-N;140.15;-0.55;;;;;DOPC;MDCG;27;0;"MARTINI bead: N0_P3";;;;;;;-0.8;;-2.99;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM453348;MM453348;CCC1OCC(NN)=NO1;RIESSIFIYIHPQH-UHFFFAOYSA-N;145.16;-0.45;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNa_SP2";;;;;;;-0.24;;-3.24;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM453349;MM453349;N=CN1CC=C(C=O)CC1;MKITWVDUMPJBMY-UHFFFAOYSA-N;138.17;0.42;;;;;DOPC;MDCG;27;1;"MARTINI bead: SNd_SP1";;;;;;;0.04;;-6.32;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM453350;MM453350;N=c1nncc(N)o1;IQGDFLQIOYGNGW-UHFFFAOYSA-N;112.09;-0.87;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP3_SP3";;;;;;;-3.07;;-6.15;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM453351;MM453351;N#CC1=CCN(C=N)CC1;GJSPEJYGSPMMAA-UHFFFAOYSA-N;135.17;0.75;;;;;DOPC;MDCG;27;1;"MARTINI bead: SNd_SP1";;;;;;;0.04;;-6.29;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM453352;MM453352;N#CCC1C=NNC1;UERASZJJJCLOPW-UHFFFAOYSA-N;109.13;0.11;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP1_SP1";;;;;;;-0.79;;-3.13;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM453353;MM453353;C=CC1=CCN(C=O)CC1;GLMJZFFYRZOHEL-UHFFFAOYSA-N;137.18;0.96;;;;;DOPC;MDCG;27;0;"MARTINI bead: SN0_SNda";;;;;;;1.17;;-1.13;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM453354;MM453354;C=NN=CC=CC(C)=O;YCSRRONBFRPVTH-UHFFFAOYSA-N;124.14;0.82;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_C5";;;;;;;0.81;;-0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM453355;MM453355;O=CC1=CCN(C=O)CC1;RJCFXFSAQODKBH-UHFFFAOYSA-N;139.15;-0.03;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNda_SP1";;;;;;;0.04;;-2.73;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM453356;MM453356;CC=CC=NN=CNC=O;RZMQZAQVRUTNQS-UHFFFAOYSA-N;139.16;0.32;;;;;DOPC;MDCG;27;0;"MARTINI bead: C3_P3";;;;;;;0.6;;-0.8;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM453357;MM453357;N#CC1=CCN(C=O)CC1;CVRADEHCTPKXRE-UHFFFAOYSA-N;136.15;0.3;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNda_SP1";;;;;;;0.04;;-2.73;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM453358;MM453358;O=CNC=NN=CC=NO;QQVXKPBJGOSCPJ-UHFFFAOYSA-N;142.12;-0.79;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_P1";;;;;;;-0.79;;-3.13;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM453359;MM453359;C=CC1=CCN(N=C)CC1;WTQBHOMUJDZDFY-UHFFFAOYSA-N;136.2;1.42;;;;;DOPC;MDCG;27;0;"MARTINI bead: SN0_SN0";;;;;;;1.47;;-0.05;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM453360;MM453360;C#CCNNC(=N)C#N;KMSRMAPXLOEPQN-UHFFFAOYSA-N;122.13;-0.79;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_P2";;;;;;;-1.34;;-4.31;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM453361;MM453361;C=NN1CC=C(C=O)CC1;XYRDPPMLVGNFTQ-UHFFFAOYSA-N;138.17;0.43;;;;;DOPC;MDCG;27;0;"MARTINI bead: SN0_SP1";;;;;;;0.34;;-1.53;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM453362;MM453362;CCN=CNC(=N)C#N;TYEIAJQFGXNKJI-UHFFFAOYSA-N;124.15;0.13;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nd_P1";;;;;;;0.04;;-2.63;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM453363;MM453363;C=NN1CC=C(C#N)CC1;WPKSAXQVEGBYIE-UHFFFAOYSA-N;135.17;0.76;;;;;DOPC;MDCG;27;0;"MARTINI bead: SN0_SP1";;;;;;;0.34;;-1.53;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM453364;MM453364;C=NNC=NN=CC=NO;BUSFLPTYPUAZGN-UHFFFAOYSA-N;141.13;-0.33;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_C4";;;;;;;1.37;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM453365;MM453365;N=CN1CCC(C=O)=CN1;HTJYUEVQVQTEQR-UHFFFAOYSA-N;139.16;-0.11;;;;;DOPC;MDCG;27;1;"MARTINI bead: SP2_SP2";;;;;;;-1.34;;-6.23;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM453366;MM453366;C=CC=COC=CC=CC;NOIUUSAZQPYWJZ-UHFFFAOYSA-N;136.19;2.79;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_C4";;;;;;;2.97;;0.45;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM453367;MM453367;N#CC1=CNN(C=N)CC1;HRNKBHZTYVOMDM-UHFFFAOYSA-N;136.16;0.21;;;;;DOPC;MDCG;27;1;"MARTINI bead: SP2_SP2";;;;;;;-1.34;;-6.2;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM453368;MM453368;C=CC=COC=CC=CF;YNAPNXSPJGFOFM-UHFFFAOYSA-N;140.16;2.7;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4_C4";;;;;;;3.53;;0.53;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM453369;MM453369;O=CC1=CNN(C=O)CC1;PYAOXNWUBDVVEY-UHFFFAOYSA-N;140.14;-0.56;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP1_SP2";;;;;;;-1.06;;-3.82;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM453370;MM453370;CC=CC=COC=CC=O;BXOMOHQFYLZCOR-UHFFFAOYSA-N;138.17;1.81;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_Na";;;;;;;1.64;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM453371;MM453371;N#CC1=CNN(C=O)CC1;SVCFLQCANNVWEH-UHFFFAOYSA-N;137.14;-0.24;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP1_SP2";;;;;;;-1.06;;-3.82;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM453372;MM453372;CC=CC=COC=CC#N;OGFZKCWYTARRMK-UHFFFAOYSA-N;135.17;2.13;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_N0";;;;;;;1.94;;0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM453373;MM453373;C=CC1=CCN(C=N)NC1;AHYGAIUVJTWBIJ-UHFFFAOYSA-N;137.19;0.53;;;;;DOPC;MDCG;27;1;"MARTINI bead: SP1_SP2";;;;;;;-1.06;;-5.87;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM453374;MM453374;N#CC=COC=CC=CF;LLVLGRCTQSOJBG-UHFFFAOYSA-N;139.13;2.04;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4_Na";;;;;;;2.2;;0.34;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM453375;MM453375;N=CN1CC=C(C=O)CN1;YMKODIWECXPUEO-UHFFFAOYSA-N;139.16;-0.46;;;;;DOPC;MDCG;27;1;"MARTINI bead: SP2_SP2";;;;;;;-1.34;;-6.36;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM453376;MM453376;C=CC=COC=CC=NO;IQRREJREFXMXRA-UHFFFAOYSA-N;139.15;1.68;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_C4";;;;;;;1.37;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM453377;MM453377;C=CC1=CCN(C=O)NC1;KOQINCKUEJPPHZ-UHFFFAOYSA-N;138.17;0.08;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP1_SP1";;;;;;;-0.79;;-3.13;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM453378;MM453378;N#CC=COC=CC=NO;RCWSYMNCYWUFTO-UHFFFAOYSA-N;138.13;1.01;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_C5";;;;;;;0.81;;-0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM453379;MM453379;C=CC1=CCN(C=O)OC1;DDBHSORAEGAKFK-UHFFFAOYSA-N;139.15;0.5;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP1_SNa";;;;;;;0.04;;-2.54;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM453380;MM453380;C=NN=COC=CC=NN;VBWWATGGPLNRPH-UHFFFAOYSA-N;140.15;0.11;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nd_Na";;;;;;;0.87;;-1.88;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM453381;MM453381;C#CC1=NOC(C=C)CC1;GSUFRFRGRWTROA-UHFFFAOYSA-N;135.17;1.34;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC5_SN0";;;;;;;1.94;;0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM453382;MM453382;C=NN=COC=CC=NO;NPRKAFAUNDKMFC-UHFFFAOYSA-N;141.13;0.62;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_C5";;;;;;;0.81;;-0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM453383;MM453383;COC1=NCC(=CF)N1;DBMSDFMICXXZFJ-UHFFFAOYSA-N;130.12;0.4;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP1_SNda";;;;;;;0.04;;-2.73;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM453384;MM453384;C=CC=COC=NN=CC;OJKYFRQNZOLYLS-UHFFFAOYSA-N;138.17;1.74;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_Na";;;;;;;1.64;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM453385;MM453385;C#CC1=CCN(C=N)CC1;FORCAZTYFDSCTN-UHFFFAOYSA-N;134.18;0.86;;;;;DOPC;MDCG;27;1;"MARTINI bead: SNd_SP1";;;;;;;0.04;;-6.3;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM453386;MM453386;CC=NN=COC=CC#N;KCEXZSNNXKSYCX-UHFFFAOYSA-N;137.14;1.07;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_N0";;;;;;;1.17;;-1.18;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM453387;MM453387;C#CC1=CCN(C=O)CC1;XYWZRGDJFJJXSO-UHFFFAOYSA-N;135.17;0.41;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNda_SP1";;;;;;;0.04;;-2.73;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM453388;MM453388;C=NN=COC=NN=CC;GCUXLFOGDOBZMQ-UHFFFAOYSA-N;140.15;0.68;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_N0";;;;;;;1.17;;-1.18;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM453389;MM453389;C#CC1=CCN(N=C)CC1;JTLAKSANKMJOEK-UHFFFAOYSA-N;134.18;0.87;;;;;DOPC;MDCG;27;0;"MARTINI bead: SN0_SP1";;;;;;;0.34;;-1.53;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM453390;MM453390;C=CC=NOC=NN=CC;YRMLLBJYDIKGPV-UHFFFAOYSA-N;139.16;1.21;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_Na";;;;;;;1.64;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM453391;MM453391;C#CC1CC=C(CC)CC1;VDFHIBDLXHITEZ-UHFFFAOYSA-N;134.22;2.76;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC1_SC4";;;;;;;4.24;;0.42;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM453392;MM453392;CC=NN=CON=CC=O;ZKRZDLIWKWLWIY-UHFFFAOYSA-N;141.13;0.22;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_P1";;;;;;;0.81;;-0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM453393;MM453393;C=NN=CON=CC=CN;AIOBUGPZPMKGBM-UHFFFAOYSA-N;140.15;0.11;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nd_Na";;;;;;;0.87;;-1.88;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM453394;MM453394;C#CC1CC=C(CF)CC1;SQTACKKGWZWGPH-UHFFFAOYSA-N;138.19;2.32;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC4_SC4";;;;;;;3.53;;0.53;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM453395;MM453395;C#CC=CCC=NN=CC;BTHHLBCPLCWQMT-UHFFFAOYSA-N;134.18;1.64;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_C4";;;;;;;2.97;;0.45;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM453396;MM453396;C#CC1CCC(CC)=CO1;DRUVIOCCFRDIRG-UHFFFAOYSA-N;136.19;2.09;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC5_SN0";;;;;;;1.94;;0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM453397;MM453397;C#CC1CCC(CN)=CO1;LXGBUPSGYFOTJT-UHFFFAOYSA-N;137.18;0.64;;;;;DOPC;MDCG;27;1;"MARTINI bead: SP1_SN0";;;;;;;0.34;;-3.71;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM453398;MM453398;CN=NC(C)=C(C)NN;BHZSXPBHJZCABW-UHFFFAOYSA-N;128.18;0.78;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1_P3";;;;;;;0.94;;0.03;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM453399;MM453399;C#CC1CCC(CO)=CO1;SVPPPNBUQUXTQG-UHFFFAOYSA-N;138.17;0.67;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNda_SN0";;;;;;;1.17;;-1.13;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM453400;MM453400;C#CC=NNC=NC=NO;SFLJJPDWMBEQAF-UHFFFAOYSA-N;138.13;-0.36;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_Nd";;;;;;;0.04;;-2.63;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM453401;MM453401;C#CC1CCC(OC)=CO1;FOIGQCOOTPZJOE-UHFFFAOYSA-N;138.17;1.29;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNa_SN0";;;;;;;1.17;;-1.18;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM453402;MM453402;Nc1cn(N)cnc1=O;OHBGSNSGHNOXSK-UHFFFAOYSA-N;126.12;-1.46;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP1_SP3";;;;;;;-1.93;;-4.72;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM453403;MM453403;C#CC1CCC(CC)=NO1;JQAIPIYBCQLJSO-UHFFFAOYSA-N;137.18;1.56;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC5_SNa";;;;;;;1.64;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM453404;MM453404;C#CC=COC=CC=CC;OBGKPSQWXXPYJQ-UHFFFAOYSA-N;134.18;2.24;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_N0";;;;;;;1.94;;0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM453405;MM453405;C#CC1CCC(CN)=NO1;FIXJZIBBNPCQSE-UHFFFAOYSA-N;138.17;0.11;;;;;DOPC;MDCG;27;1;"MARTINI bead: SP1_SNa";;;;;;;0.04;;-3.96;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM453406;MM453406;C#CC=COC=CC=NO;MXXNFFHJNBFPAP-UHFFFAOYSA-N;137.14;1.12;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_C5";;;;;;;0.81;;-0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM453407;MM453407;C#CC1CCC(OC)=NO1;RWPIHIWBMHKQDJ-UHFFFAOYSA-N;139.15;0.76;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNa_SNa";;;;;;;0.87;;-2.22;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM453408;MM453408;C#CC=COC=NN=CC;ZXJHAGORVUIZJU-UHFFFAOYSA-N;136.15;1.18;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_Na";;;;;;;1.64;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM453409;MM453409;C#CC1OC=C(CF)CO1;JJCKTWPBVCISAI-UHFFFAOYSA-N;142.13;0.85;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNa_SNa";;;;;;;0.87;;-2.22;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM453410;MM453410;CC#CC=CCC=CCC;AYTJCFJFUDHZPU-UHFFFAOYSA-N;134.22;2.92;;;;;DOPC;MDCG;27;0;"MARTINI bead: C3_C1";;;;;;;4.61;;0.31;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM453411;MM453411;CCC(=O)C1N(C)C1(C)C;SITRKSQAZADQJA-UHFFFAOYSA-N;141.21;1.06;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_SNd";;;;;;;0.87;;-1.88;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM453412;MM453412;CC#CC=CCC=CCN;HNRJZSOPNVXJIA-UHFFFAOYSA-N;135.21;1.47;;;;;DOPC;MDCG;27;1;"MARTINI bead: C4_Nd";;;;;;;2.2;;-1.67;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM453413;MM453413;C#CC1OCC(CN)=NO1;GKCBHKQYOUBCAL-UHFFFAOYSA-N;140.14;-0.69;;;;;DOPC;MDCG;27;1;"MARTINI bead: SP2_SNa";;;;;;;-0.24;;-4.59;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM453414;MM453414;CC#CC=CCC=CCO;PEJSQVGCEMEIRO-UHFFFAOYSA-N;136.19;1.5;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4_Nda";;;;;;;2.2;;0.49;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM453415;MM453415;C=NNCCC(=C)C(C)=O;HKRDEMXVCVGHNO-UHFFFAOYSA-N;140.19;0.73;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_Nd";;;;;;;0.87;;-1.88;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM453416;MM453416;CC#CC=CCC=CCF;UQNRSYIKKJORBM-UHFFFAOYSA-N;138.19;2.48;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4_C4";;;;;;;3.53;;0.53;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM453417;MM453417;C=NNC(C#CC)C(=C)C;BSRGFZGYJNHEKB-UHFFFAOYSA-N;136.2;1.16;;;;;DOPC;MDCG;27;0;"MARTINI bead: N0_Nd";;;;;;;1.17;;-1.04;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM453418;MM453418;CC#CC=COC=CCC;YMPGPMRTZMKQBW-UHFFFAOYSA-N;136.19;2.46;;;;;DOPC;MDCG;27;0;"MARTINI bead: C3_Na";;;;;;;2.57;;0.45;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM453419;MM453419;C#CC1CC=C(C#N)CC1;HPFUXCXRUMWSKH-UHFFFAOYSA-N;131.18;1.87;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC4_SC5";;;;;;;2.97;;0.45;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM453420;MM453420;CC#CC=COC=CCN;VFTZGIUYLSJUHE-UHFFFAOYSA-N;137.18;1.01;;;;;DOPC;MDCG;27;1;"MARTINI bead: C4_P1";;;;;;;1.37;;-2.12;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM453421;MM453421;C#CC1CCC(C=C)=NN1;VLFJNEJWZZEVPX-UHFFFAOYSA-N;134.18;0.91;;;;;DOPC;MDCG;27;0;"MARTINI bead: SN0_SNd";;;;;;;1.17;;-1.04;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM453422;MM453422;CC#CC=COC=COC;ALNGSVLBHAUJAT-UHFFFAOYSA-N;138.17;1.66;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_C4";;;;;;;2.2;;0.34;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM453423;MM453423;CN=c1nncc(N)o1;DPPVYLBHKUPXAS-UHFFFAOYSA-N;126.12;-0.82;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP2_SP3";;;;;;;-2.2;;-5.19;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM453424;MM453424;C#CC1CCC(C=C)=CO1;FCVMACPIRFOUNM-UHFFFAOYSA-N;134.18;1.87;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC5_SN0";;;;;;;1.94;;0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM453425;MM453425;C#CC1CCC(C=O)=CO1;HKJBSUFZPPTYPI-UHFFFAOYSA-N;136.15;0.88;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNa_SN0";;;;;;;1.17;;-1.18;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM453426;MM453426;CC#CC=COC=NOC;IKWJMOGLHDFFBD-UHFFFAOYSA-N;139.15;1.13;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_C4";;;;;;;1.09;;-0.38;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM453427;MM453427;C#CC1CCC(C=C)=NO1;RSOLFWCUBSODIA-UHFFFAOYSA-N;135.17;1.34;;;;;DOPC;MDCG;27;0;"MARTINI bead: SN0_SNa";;;;;;;1.17;;-1.18;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM453428;MM453428;C=C1C(N)C=NN1C=N;UKANJWAENDCLEF-UHFFFAOYSA-N;124.15;-0.26;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP2_SP1";;;;;;;-1.06;;-3.82;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM453429;MM453429;C#CC1CCC(C=O)=NO1;CGWNYZGVSWDMPG-UHFFFAOYSA-N;137.14;0.35;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNa_SNa";;;;;;;0.87;;-2.22;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM453430;MM453430;CC#CC=NOC=NOC;YKGIVZTWIFHNPT-UHFFFAOYSA-N;140.14;0.6;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_N0";;;;;;;1.17;;-1.18;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM453431;MM453431;C#CC1OC=C(C=C)CO1;SNONUYDQVNAEPJ-UHFFFAOYSA-N;136.15;1.06;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP1_SNa";;;;;;;0.04;;-2.54;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM453432;MM453432;C=CC=CCC=CC#CC;NLAQBPJVOXVBPL-UHFFFAOYSA-N;132.21;2.7;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4_C1";;;;;;;4.24;;0.42;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM453433;MM453433;N#CC=C1C=C(F)C(=N)N1;KFFAVWNLYXBGPN-UHFFFAOYSA-N;137.12;0.83;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNda_SNd";;;;;;;0.87;;-1.92;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM453434;MM453434;CC#CC=CCC=CC=O;CIEHGZNOZCOLSS-UHFFFAOYSA-N;134.18;1.71;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4_Na";;;;;;;2.2;;0.34;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM453435;MM453435;Nc1cn(N)c(=O)c(=O)o1;HXSXIMMIYMCGNF-UHFFFAOYSA-N;143.1;-1.9;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP3_SP2";;;;;;;-2.2;;-5.19;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM453436;MM453436;CC#CC=CCC=CC#N;DOJFCYGSYNTFRQ-UHFFFAOYSA-N;131.18;2.04;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4_N0";;;;;;;2.5;;0.44;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM453437;MM453437;C#CC(F)(C#C)C=NNC;SJGGTUBSBYUSMB-UHFFFAOYSA-N;138.15;0.17;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_C5";;;;;;;0.54;;-1.09;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM453438;MM453438;CNC1=C(C)C(=O)C=N1;VGOBFOQUKZCBJO-UHFFFAOYSA-N;124.14;0.09;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNd_SNa";;;;;;;0.87;;-1.88;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM453439;MM453439;C#CC1=CCC(C#C)CC1;RQKUEIHVWJPKBO-UHFFFAOYSA-N;130.19;1.98;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC4_SC4";;;;;;;3.53;;0.53;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM453440;MM453440;NNC1=NOC(CF)O1;FCQYMKNEMNAOJZ-UHFFFAOYSA-N;135.1;-0.94;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP2_SP1";;;;;;;-1.06;;-3.82;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM453441;MM453441;CC=C1CC=C(CC)CC1;GFUWMADAHUFEIF-UHFFFAOYSA-N;136.24;3.45;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC1_SC1";;;;;;;4.95;;0.69;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM453442;MM453442;C=CC=COC=CC#CC;JQALJIJHYCORKR-UHFFFAOYSA-N;134.18;2.24;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4_C4";;;;;;;3.53;;0.53;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM453443;MM453443;CC=C1CC=C(CN)CC1;ZTPJGJXYOOTKHM-UHFFFAOYSA-N;137.23;2;;;;;DOPC;MDCG;27;1;"MARTINI bead: SC1_SNd";;;;;;;2.91;;-0.08;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM453444;MM453444;CC#CC=COC=CC#N;YIUVDSVTYPCFKE-UHFFFAOYSA-N;133.15;1.58;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4_Na";;;;;;;2.2;;0.34;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM453445;MM453445;C=CC(=O)ONC(=N)CF;IINPIJJNWPSJSH-UHFFFAOYSA-N;146.12;0.17;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_N0";;;;;;;0.06;;-2.21;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM453446;MM453446;C=NN=COC=CC#CC;KSWPRLFCADBDGU-UHFFFAOYSA-N;136.15;1.18;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4_P1";;;;;;;1.37;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM453447;MM453447;CC=C1CC=C(CF)CC1;PJGDELVSVMBKMB-UHFFFAOYSA-N;140.2;3.01;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC1_SC4";;;;;;;4.24;;0.42;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM453448;MM453448;C=NN=CON=CC#CC;IGERWGFPTCUANU-UHFFFAOYSA-N;137.14;0.66;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_N0";;;;;;;1.17;;-1.18;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM453449;MM453449;CCC1=CCC(=CF)CC1;DTJIMWDGYRAJBH-UHFFFAOYSA-N;140.2;3.36;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC1_SC4";;;;;;;4.24;;0.42;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM453450;MM453450;C#CC=CCC=CC#CC;YZORLUFVGCPLBO-UHFFFAOYSA-N;130.19;2.15;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4_C4";;;;;;;3.53;;0.53;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM453451;MM453451;NCC1=CCC(=CF)CC1;WXLLIWRZVVSIMG-UHFFFAOYSA-N;141.19;1.91;;;;;DOPC;MDCG;27;1;"MARTINI bead: SNd_SC4";;;;;;;2.2;;-1.67;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM453452;MM453452;C#CC=COC=CC#CC;GXOKRAMSYJYHNF-UHFFFAOYSA-N;132.16;1.69;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4_N0";;;;;;;2.5;;0.44;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM453453;MM453453;C=CC(F)=CNC(=N)C=O;LFGFREQUUREOLP-UHFFFAOYSA-N;142.13;0.75;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4_P3";;;;;;;0.23;;-1.03;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM453454;MM453454;CCC#CCC=CCCC;IAWJVZPFELFNMI-UHFFFAOYSA-N;136.24;3.15;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1_C3";;;;;;;4.61;;0.31;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM453455;MM453455;FC=C1CC=C(CF)CC1;QFANOUFYLSBJAV-UHFFFAOYSA-N;144.16;2.92;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC4_SC4";;;;;;;3.53;;0.53;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM453456;MM453456;CCCC=CCC#CCN;WCZPZGNIIVWBLW-UHFFFAOYSA-N;137.23;1.69;;;;;DOPC;MDCG;27;1;"MARTINI bead: C1_Nd";;;;;;;2.91;;0.39;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM453457;MM453457;CC=C1CC=C(OC)CC1;PCHJUDKOOPPFQP-UHFFFAOYSA-N;138.21;2.65;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC5_SC1";;;;;;;3.68;;0.46;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM453458;MM453458;NCC#CCC=CCCN;XOLGSSNSEOWJTG-UHFFFAOYSA-N;138.21;0.24;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_Nd";;;;;;;0.87;;-4.91;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM453459;MM453459;COC1=CCC(=CF)CC1;CECYDGQNFSDNHL-UHFFFAOYSA-N;142.17;2.55;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC5_SC4";;;;;;;2.97;;0.45;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM453460;MM453460;NCC#CCC=CCCO;LJOKBFGJLYYOCI-UHFFFAOYSA-N;139.2;0.28;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_Nda";;;;;;;0.87;;-3.41;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM453461;MM453461;CCC1=CCC(=NN)CC1;OMBCPGNBXFZVGB-UHFFFAOYSA-N;138.21;1.82;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC1_SNd";;;;;;;2.91;;0.63;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM453462;MM453462;CCCC=CCC#CCO;VQRJBYPXPJTYRK-UHFFFAOYSA-N;138.21;1.73;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1_P2";;;;;;;1.8;;0.4;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM453463;MM453463;CN=C1NOC(C)(C#N)O1;NJQGCBKRZKIRDJ-UHFFFAOYSA-N;141.13;-0.24;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP2_SP1";;;;;;;-1.06;;-3.82;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM453464;MM453464;NCCC=CCC#CCO;KHESNFUJCRGVHO-UHFFFAOYSA-N;139.2;0.28;;;;;DOPC;MDCG;27;1;"MARTINI bead: C5_P2";;;;;;;0.54;;-3.83;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM453465;MM453465;NN=C1CC=C(CF)CC1;IOKGTVLPLPZTLC-UHFFFAOYSA-N;142.18;1.38;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNd_SC4";;;;;;;2.2;;0.32;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM453466;MM453466;OCC#CCC=CCCO;LVEZUPQSJKQLOV-UHFFFAOYSA-N;140.18;0.31;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_P2";;;;;;;0.54;;-1.09;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM453467;MM453467;C=CC1(C)CN=C(C#N)N1;IZXHJXWPLDCKEY-UHFFFAOYSA-N;135.17;0.46;;;;;DOPC;MDCG;27;0;"MARTINI bead: SN0_SP1";;;;;;;0.34;;-1.53;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM453468;MM453468;CCCC=CCC#CCF;UTGKARKNAPPSBU-UHFFFAOYSA-N;140.2;2.71;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1_Na";;;;;;;2.91;;0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM453469;MM453469;NCC1=CCC(=NO)CC1;OHHJUFGPRFDRMI-UHFFFAOYSA-N;140.19;0.89;;;;;DOPC;MDCG;27;1;"MARTINI bead: SNd_SNda";;;;;;;0.87;;-4.15;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM453470;MM453470;CNCC=CCC#CCN;GPKGYUYZVVWBHG-UHFFFAOYSA-N;138.21;0.11;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_Nd";;;;;;;0.87;;-4.51;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM453471;MM453471;OCC1=CCC(=NO)CC1;XCUXXINEJHRAIA-UHFFFAOYSA-N;141.17;0.92;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC5_SNda";;;;;;;1.64;;0.05;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM453472;MM453472;CCC#CCC=CCOC;VYWBTYFBTNSTTH-UHFFFAOYSA-N;138.21;1.99;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1_Na";;;;;;;2.91;;0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM453473;MM453473;ON=C1CC=C(CF)CC1;CZVQDDGAWDWWOJ-UHFFFAOYSA-N;143.16;1.9;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNda_SC4";;;;;;;2.2;;0.49;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM453474;MM453474;CCC#CCC=COCC;JGCIXTHTDBOSDH-UHFFFAOYSA-N;138.21;2.34;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_C3";;;;;;;3.34;;0.48;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM453475;MM453475;COC1=CCC(=NN)CC1;YBPOKEVGVLFEGZ-UHFFFAOYSA-N;140.19;1.02;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC5_SNd";;;;;;;1.64;;0.02;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM453476;MM453476;COC1=CCC(=NO)CC1;NJVLUHBZBJYKPQ-UHFFFAOYSA-N;141.17;1.53;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC5_SNda";;;;;;;1.64;;0.05;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM453477;MM453477;CCOC=CCC#CCN;PHCCHKDGDYTZBX-UHFFFAOYSA-N;139.2;0.89;;;;;DOPC;MDCG;27;1;"MARTINI bead: C5_Nd";;;;;;;1.64;;-1.39;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM453478;MM453478;CC=C1CN=C(CC)NC1;IIJPTXKZLTZMGP-UHFFFAOYSA-N;138.21;1.34;;;;;DOPC;MDCG;27;1;"MARTINI bead: SC5_SN0";;;;;;;1.94;;-1.85;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM453479;MM453479;CCOC=CCC#CCO;UDKKEECQADXPFE-UHFFFAOYSA-N;140.18;0.92;;;;;DOPC;MDCG;27;0;"MARTINI bead: C3_P2";;;;;;;1.46;;-0.15;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM453480;MM453480;CCOC=CCC#CCF;DBFABXYINDFFNT-UHFFFAOYSA-N;142.17;1.9;;;;;DOPC;MDCG;27;0;"MARTINI bead: C3_Na";;;;;;;2.57;;0.45;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM453481;MM453481;CC=C1CN=C(CO)NC1;TWNWTVXVJQWCOM-UHFFFAOYSA-N;140.19;-0.07;;;;;DOPC;MDCG;27;1;"MARTINI bead: SN0_SP1";;;;;;;0.34;;-3.22;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM453482;MM453482;CCC#CCC=NNCC;RNRBQDFWCQZENR-UHFFFAOYSA-N;138.21;1.39;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_C1";;;;;;;2.08;;0.48;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM453483;MM453483;CC=C1CN=C(CF)NC1;YVLZSAGYOAPTCJ-UHFFFAOYSA-N;142.18;0.9;;;;;DOPC;MDCG;27;0;"MARTINI bead: SN0_SNda";;;;;;;1.17;;-1.13;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM453484;MM453484;CCNN=CCC#CCN;NNYJUDVTVLFDIR-UHFFFAOYSA-N;139.2;-0.07;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_Nd";;;;;;;0.87;;-3.6;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM453485;MM453485;CCC1=NCC(=CF)CN1;YDCCXVJNIJBTNE-UHFFFAOYSA-N;142.18;1.25;;;;;DOPC;MDCG;27;1;"MARTINI bead: SC5_SP1";;;;;;;0.81;;-3.46;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM453486;MM453486;CCC#CCC=NOCC;NTGBGUAKPRWCLB-UHFFFAOYSA-N;139.2;1.81;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_C3";;;;;;;2.57;;0.45;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM453487;MM453487;NCC1=NCC(=CF)CN1;YXENSLBAIDWKMA-UHFFFAOYSA-N;143.17;-0.2;;;;;DOPC;MDCG;27;1;"MARTINI bead: SP1_SP1";;;;;;;-0.79;;-4.81;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM453488;MM453488;CCON=CCC#CCN;UOIFAHVQWFANIJ-UHFFFAOYSA-N;140.19;0.36;;;;;DOPC;MDCG;27;1;"MARTINI bead: Na_Nd";;;;;;;0.87;;-3.37;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM453489;MM453489;OCC1=NCC(=CF)CN1;YMKMPYVOCAYDJO-UHFFFAOYSA-N;144.15;-0.17;;;;;DOPC;MDCG;27;1;"MARTINI bead: SP1_SP1";;;;;;;-0.79;;-4.71;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM453490;MM453490;C=CC1ON=C(NN)O1;QRTQNBQDOFXFAV-UHFFFAOYSA-N;129.12;-0.72;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP2_SNa";;;;;;;-0.24;;-3.24;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM453491;MM453491;FC=C1CN=C(CF)NC1;YDEJGFXGYXHVDW-UHFFFAOYSA-N;146.14;0.81;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNda_SP1";;;;;;;0.04;;-2.73;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM453492;MM453492;CCON=CCC#CCF;VVEJASJHMJFVSA-UHFFFAOYSA-N;143.16;1.37;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_Na";;;;;;;1.64;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM453493;MM453493;CC=C1CN=C(NC)NC1;ASXOIZHVEGMHHW-UHFFFAOYSA-N;139.2;0.11;;;;;DOPC;MDCG;27;1;"MARTINI bead: SNd_SN0";;;;;;;1.17;;-5.46;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM453494;MM453494;C=CCC=CCC#CCC;VYFRGKAYBHOJBM-UHFFFAOYSA-N;134.22;2.92;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1_C3";;;;;;;4.61;;0.31;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM453495;MM453495;CC=C1CN=C(NN)NC1;FQYAZMICQCSXME-UHFFFAOYSA-N;140.19;-0.64;;;;;DOPC;MDCG;27;1;"MARTINI bead: SN0_SP2";;;;;;;0.06;;-5.86;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM453496;MM453496;C=CCC=CCC#CCN;MAYBTSIAKFTSAR-UHFFFAOYSA-N;135.21;1.47;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_C3";;;;;;;2.57;;-0.26;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM453497;MM453497;CC=C1CN=C(NO)NC1;QHNGZYUCZPSSEZ-UHFFFAOYSA-N;141.17;-0.13;;;;;DOPC;MDCG;27;1;"MARTINI bead: SN0_SP2";;;;;;;0.06;;-4.46;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM453498;MM453498;N#CCC=CCC#CCO;OAIFXJDQOPIFNT-UHFFFAOYSA-N;135.17;0.84;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_C5";;;;;;;0.54;;-1.09;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM453499;MM453499;CNC1=NCC(=CF)CN1;BXCZVIGZQNHQIB-UHFFFAOYSA-N;143.17;0.02;;;;;DOPC;MDCG;27;1;"MARTINI bead: SNd_SP1";;;;;;;0.04;;-6.8;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM453500;MM453500;CCC#CCC=CNC=N;PAKHHUSFLGLOBB-UHFFFAOYSA-N;136.2;1.5;;;;;DOPC;MDCG;27;1;"MARTINI bead: C3_P2";;;;;;;1.46;;-3.93;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM453501;MM453501;NNC1=NCC(=CF)CN1;OKWVBPCILIIBJU-UHFFFAOYSA-N;144.15;-0.74;;;;;DOPC;MDCG;27;1;"MARTINI bead: SP2_SP1";;;;;;;-1.06;;-7.26;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM453502;MM453502;CCC#CCC=CNC=O;SXXNOBXENYJART-UHFFFAOYSA-N;137.18;1.05;;;;;DOPC;MDCG;27;0;"MARTINI bead: C3_P2";;;;;;;1.46;;-0.15;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM453503;MM453503;N=CNC=CCC#CCN;BTNRRWWLJXPTFO-UHFFFAOYSA-N;137.19;0.05;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_P2";;;;;;;-0.24;;-7.1;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM453504;MM453504;ONC1=NCC(=CF)CN1;UWDLHBWPZJEEQH-UHFFFAOYSA-N;145.14;-0.22;;;;;DOPC;MDCG;27;1;"MARTINI bead: SP2_SP1";;;;;;;-1.06;;-5.86;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM453505;MM453505;NCC#CCC=CNC=O;CCQMIUSXSGACLT-UHFFFAOYSA-N;138.17;-0.4;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_P2";;;;;;;-0.24;;-4.64;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM453506;MM453506;CCC1=NCC(=NN)CN1;CCINIKIMAZNRKW-UHFFFAOYSA-N;140.19;-0.29;;;;;DOPC;MDCG;27;1;"MARTINI bead: SC5_SP2";;;;;;;0.54;;-3.28;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM453507;MM453507;N=CNC=CCC#CCO;CABWLGWHLYYOSR-UHFFFAOYSA-N;138.17;0.08;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nda_P2";;;;;;;-0.24;;-7.18;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM453508;MM453508;NN=C1CN=C(CF)NC1;CNMPCMAZKKDYBG-UHFFFAOYSA-N;144.15;-0.73;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP2_SNda";;;;;;;-0.24;;-3.31;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM453509;MM453509;C=COC=CCC#CCC;BEBMACJHGOIXLA-UHFFFAOYSA-N;136.19;2.46;;;;;DOPC;MDCG;27;0;"MARTINI bead: C3_C5";;;;;;;3.34;;0.48;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM453510;MM453510;CCC1=NCC(=NO)CN1;ONARPQKHJMUSMW-UHFFFAOYSA-N;141.17;0.23;;;;;DOPC;MDCG;27;1;"MARTINI bead: SC5_SP2";;;;;;;0.54;;-3.2;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM453511;MM453511;C=COC=CCC#CCN;JGSPITKWULFYDT-UHFFFAOYSA-N;137.18;1.01;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_C5";;;;;;;1.64;;-1.39;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM453512;MM453512;NCC1=NCC(=NO)CN1;PFURUUAVJRAYBN-UHFFFAOYSA-N;142.16;-1.22;;;;;DOPC;MDCG;27;1;"MARTINI bead: SP1_SP2";;;;;;;-1.06;;-5.03;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM453513;MM453513;C=COC=CCC#CCO;QXNLSYRNOMTLLO-UHFFFAOYSA-N;138.17;1.05;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_C3";;;;;;;1.46;;-0.15;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM453514;MM453514;C#CC1=NNC(C)(C=O)C1;GHQAOVAIOASVQD-UHFFFAOYSA-N;136.15;-0.07;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNda_SP1";;;;;;;0.04;;-2.73;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM453515;MM453515;CCC#CCC=NNC=O;KJNDKZICMOCWFJ-UHFFFAOYSA-N;138.17;0.52;;;;;DOPC;MDCG;27;0;"MARTINI bead: C3_P2";;;;;;;1.46;;-0.15;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM453516;MM453516;CNC1=NCC(=NN)CN1;OEYKBGPHCGHFCV-UHFFFAOYSA-N;141.18;-1.52;;;;;DOPC;MDCG;27;1;"MARTINI bead: SNd_SP2";;;;;;;-0.24;;-7;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM453517;MM453517;O=CNN=CCC#CCF;ZFPPQJADLKNUKC-UHFFFAOYSA-N;142.13;0.08;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_Nda";;;;;;;1.64;;0.05;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM453518;MM453518;NN=C1CN=C(NN)NC1;FFWNWYVUTPAXEF-UHFFFAOYSA-N;142.17;-2.28;;;;;DOPC;MDCG;27;1;"MARTINI bead: SP2_SP2";;;;;;;-1.34;;-7.46;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM453519;MM453519;CCC#CCC=NOC=O;BJNOYZWELIIMRV-UHFFFAOYSA-N;139.15;0.95;;;;;DOPC;MDCG;27;0;"MARTINI bead: C3_P1";;;;;;;1.74;;0.29;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM453520;MM453520;NN=C1CN=C(NO)NC1;DZBQXXPTCGIFGO-UHFFFAOYSA-N;143.15;-1.76;;;;;DOPC;MDCG;27;1;"MARTINI bead: SP2_SP2";;;;;;;-1.34;;-6.03;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM453521;MM453521;O=CON=CCC#CCF;MBGRUPILYVHEKW-UHFFFAOYSA-N;143.12;0.51;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_Na";;;;;;;0.87;;-2.22;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM453522;MM453522;NNC1=NCC(=NO)CN1;KZGOYYHYCMYLBV-UHFFFAOYSA-N;143.15;-1.76;;;;;DOPC;MDCG;27;1;"MARTINI bead: SP2_SP2";;;;;;;-1.34;;-7.12;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM453523;MM453523;C=CNC=NCC#CCN;LECRBPDAVYEQSE-UHFFFAOYSA-N;137.19;-0.29;;;;;DOPC;MDCG;27;1;"MARTINI bead: P2_Nd";;;;;;;-0.24;;-4.89;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM453524;MM453524;ON=C1CN=C(NO)NC1;MHWNPEHEKVGSCD-UHFFFAOYSA-N;144.13;-1.25;;;;;DOPC;MDCG;27;1;"MARTINI bead: SP2_SP2";;;;;;;-1.34;;-5.93;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM453525;MM453525;C=CNC=NCC#CCO;KNWSBYRRGSZTMP-UHFFFAOYSA-N;138.17;-0.26;;;;;DOPC;MDCG;27;1;"MARTINI bead: P2_Nd";;;;;;;-0.24;;-4.76;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM453526;MM453526;CC=C1CC=C(CC)OC1;UKLPUEHKIWTXPM-UHFFFAOYSA-N;138.21;2.65;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC4_SC5";;;;;;;2.97;;0.45;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM453527;MM453527;C=CNC=NCC#CCF;XFPHRSYSXNUOLB-UHFFFAOYSA-N;140.16;0.72;;;;;DOPC;MDCG;27;1;"MARTINI bead: Na_Nd";;;;;;;0.87;;-3.49;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM453528;MM453528;CCC1=CCC(=CF)CO1;WRINPGDTVMVCNH-UHFFFAOYSA-N;142.17;2.55;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC4_SNa";;;;;;;2.2;;0.34;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM453529;MM453529;C#CCC=CCC#CCN;FDQACLUCGTTZTA-UHFFFAOYSA-N;133.19;0.92;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_C5";;;;;;;1.64;;-1.39;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM453530;MM453530;NCC1=CCC(=CF)CO1;MTSCMBOVAJLOGV-UHFFFAOYSA-N;143.16;1.1;;;;;DOPC;MDCG;27;1;"MARTINI bead: SNda_SNa";;;;;;;0.87;;-3.44;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM453531;MM453531;C#CCC=CCC#CCO;UCHWJPVSLLTQTQ-UHFFFAOYSA-N;134.18;0.95;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_C3";;;;;;;1.46;;-0.15;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM453532;MM453532;CCC1=CCC(=NO)CO1;ACXMPQSLMNEDFA-UHFFFAOYSA-N;141.17;1.53;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC4_SNda";;;;;;;2.2;;0.49;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM453533;MM453533;C=CC#CCC=CCCC;CXKKARZZTKETAA-UHFFFAOYSA-N;134.22;2.92;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1_C4";;;;;;;4.24;;0.42;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM453534;MM453534;NCC1=CCC(=NO)CO1;RRYPBAJWPIRRBA-UHFFFAOYSA-N;142.16;0.08;;;;;DOPC;MDCG;27;1;"MARTINI bead: SNda_SNda";;;;;;;0.87;;-3.5;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM453535;MM453535;C=CC#CCC=CCCN;ZYLVPVBLFMYEEC-UHFFFAOYSA-N;135.21;1.47;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_C4";;;;;;;2.2;;-2.18;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM453536;MM453536;OCC1=CCC(=NO)CO1;DMJZJNLMMWNKEB-UHFFFAOYSA-N;143.14;0.11;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNda_SNda";;;;;;;0.87;;-2.07;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM453537;MM453537;C=CC#CCC=CCCO;YPQVMTXGQZQIQK-UHFFFAOYSA-N;136.19;1.5;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda_C4";;;;;;;2.2;;0.49;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM453538;MM453538;CC=NOC(=O)C(F)=CN;ACHNBCRNIIEGER-UHFFFAOYSA-N;146.12;0.3;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_Nda";;;;;;;0.87;;-1.99;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM453539;MM453539;C=CC#CCC=CCCF;MBXZXEPOWSTTGZ-UHFFFAOYSA-N;138.19;2.48;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_C4";;;;;;;2.97;;0.45;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM453540;MM453540;C#CC(F)C=NOCOC;UPZRANMNNFNYKK-UHFFFAOYSA-N;145.13;0.56;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_C5";;;;;;;0.54;;-1.09;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM453541;MM453541;CCCC=CCC#CC=O;KXXSWHVLKCJZJE-UHFFFAOYSA-N;136.19;1.94;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1_P1";;;;;;;2.08;;0.48;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM453542;MM453542;NN=C1CN=C(NN)OC1;JIMXOHSSDITGAL-UHFFFAOYSA-N;143.15;-1.85;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP1_SP1";;;;;;;-0.79;;-3.13;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM453543;MM453543;CCCC=CCC#CC#N;QGYAFVPOCLMEIC-UHFFFAOYSA-N;133.19;2.26;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1_N0";;;;;;;3.21;;0.46;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM453544;MM453544;CC=NNC1CC1(F)C=O;KQUOFNJQLMEWFQ-UHFFFAOYSA-N;144.15;0.26;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nd_SNa";;;;;;;0.87;;-1.88;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM453545;MM453545;N#CC#CCC=CCCF;CHIWBDRDARVWFO-UHFFFAOYSA-N;137.16;1.82;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_N0";;;;;;;1.94;;0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM453546;MM453546;CNCC(C#N)=C(N)C#N;KZLZCSKIZXYXLZ-UHFFFAOYSA-N;136.16;-0.53;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_P1";;;;;;;-0.79;;-3.13;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM453547;MM453547;CNCC=CCC#CC#N;HMCFLMGAQAANIC-UHFFFAOYSA-N;134.18;0.68;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_N0";;;;;;;1.17;;-3.37;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM453548;MM453548;CCONC(=NC)OC=O;WTORZQZPHMEDJK-UHFFFAOYSA-N;146.15;-0.31;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_Na";;;;;;;0.04;;-2.54;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM453549;MM453549;COCC=CCC#CC#N;DHFDAHWQFQZBRP-UHFFFAOYSA-N;135.17;1.11;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_N0";;;;;;;1.17;;-1.18;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM453550;MM453550;CCC1=CN=C(NC)CC1;RQHVHQKSIDZYQS-UHFFFAOYSA-N;138.21;1.69;;;;;DOPC;MDCG;27;1;"MARTINI bead: SC4_SNd";;;;;;;2.2;;-3.56;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM453551;MM453551;C=CC#CCC=COCC;DJNXZNGWTRDWPZ-UHFFFAOYSA-N;136.19;2.12;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_C4";;;;;;;2.97;;0.45;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM453552;MM453552;CN=C1CCC(CN)=CN1;RHWFKPWAIVTRDU-UHFFFAOYSA-N;139.2;0.24;;;;;DOPC;MDCG;27;1;"MARTINI bead: SNd_SP1";;;;;;;0.04;;-6.3;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM453553;MM453553;CCOC=CCC#CC=O;AZPCUTXJNXZAGK-UHFFFAOYSA-N;138.17;1.13;;;;;DOPC;MDCG;27;0;"MARTINI bead: C3_P1";;;;;;;1.74;;0.29;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM453554;MM453554;CN=C1CCC(CO)=CN1;SMHGLJLHOPQLLW-UHFFFAOYSA-N;140.19;0.27;;;;;DOPC;MDCG;27;1;"MARTINI bead: SNd_SP1";;;;;;;0.04;;-6.2;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM453555;MM453555;CCOC=CCC#CC#N;DLZDTZMZUNSINW-UHFFFAOYSA-N;135.17;1.45;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_N0";;;;;;;1.94;;0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM453556;MM453556;CN=C1CCC(CF)=CN1;MVAPGXHPKLFISS-UHFFFAOYSA-N;142.18;1.25;;;;;DOPC;MDCG;27;1;"MARTINI bead: SNd_SNa";;;;;;;0.87;;-5.41;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM453557;MM453557;C=CC#CCC=NNCC;PZFYVGFDKJKKDH-UHFFFAOYSA-N;136.2;1.16;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nd_C4";;;;;;;2.2;;0.32;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM453558;MM453558;CCC1=CN=C(NN)CC1;RHEUGLUMMVDYFN-UHFFFAOYSA-N;139.2;0.94;;;;;DOPC;MDCG;27;1;"MARTINI bead: SC4_SNd";;;;;;;2.2;;-1.89;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM453559;MM453559;CCNN=CCC#CC=O;IORYRRZAJSYTKO-UHFFFAOYSA-N;138.17;0.17;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nd_C5";;;;;;;1.64;;0.02;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM453560;MM453560;NN=C1CCC(CO)=CN1;UJQXBBLSCGCCOE-UHFFFAOYSA-N;141.17;-0.48;;;;;DOPC;MDCG;27;1;"MARTINI bead: SNd_SP1";;;;;;;0.04;;-3.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM453561;MM453561;CCNN=CCC#CC#N;QDNSMMCJSZWHJU-UHFFFAOYSA-N;135.17;0.5;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nd_N0";;;;;;;1.17;;-1.04;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM453562;MM453562;NN=C1CCC(CF)=CN1;DPVQLPPBYKFRNT-UHFFFAOYSA-N;143.17;0.5;;;;;DOPC;MDCG;27;1;"MARTINI bead: SNd_SNa";;;;;;;0.87;;-3.1;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM453563;MM453563;C=CC#CCC=NOCC;MGTUWUZLFDOKCF-UHFFFAOYSA-N;137.18;1.59;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_C4";;;;;;;2.2;;0.34;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM453564;MM453564;CCC1=CN=C(NO)CC1;VGEGHTFSUNSNRQ-UHFFFAOYSA-N;140.19;1.45;;;;;DOPC;MDCG;27;1;"MARTINI bead: SC4_SNda";;;;;;;2.2;;-0.51;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM453565;MM453565;CCON=CCC#CC=O;PMMATIDAFZENNG-UHFFFAOYSA-N;139.15;0.6;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_P1";;;;;;;0.81;;-0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM453566;MM453566;NCC1=CN=C(NO)CC1;PDHITSGCFAPZNU-UHFFFAOYSA-N;141.17;;;;;;DOPC;MDCG;27;1;"MARTINI bead: SNd_SNda";;;;;;;0.87;;-3.64;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM453567;MM453567;CCON=CCC#CC#N;BVWJWLRDVDFAIQ-UHFFFAOYSA-N;136.15;0.93;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_N0";;;;;;;1.17;;-1.18;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM453568;MM453568;CCNC(C#N)=NOCC;NEIWOTDBDQWITM-UHFFFAOYSA-N;141.17;0.47;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_P1";;;;;;;0.81;;-0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM453569;MM453569;C=CC#CCC=CCC=C;FSZNWPPHCHDEOK-UHFFFAOYSA-N;132.21;2.7;;;;;DOPC;MDCG;27;0;"MARTINI bead: C2_C4";;;;;;;4.16;;0.44;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM453570;MM453570;CNC1=NC=C(OC)CC1;BXGOGXDPHQYCTE-UHFFFAOYSA-N;140.19;0.89;;;;;DOPC;MDCG;27;1;"MARTINI bead: SNd_SC5";;;;;;;1.64;;-2.87;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM453571;MM453571;C=CC#CCC=CCC=O;JEPLNVJCECYICM-UHFFFAOYSA-N;134.18;1.71;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4_Na";;;;;;;2.2;;0.34;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM453572;MM453572;COC1=CN=C(NN)CC1;OECBDGAVEWCRDA-UHFFFAOYSA-N;141.17;0.13;;;;;DOPC;MDCG;27;1;"MARTINI bead: SC5_SNd";;;;;;;1.64;;-1.14;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM453573;MM453573;C=CC#CCC=CCC#N;QTBFXVDVHHCGQH-UHFFFAOYSA-N;131.18;2.04;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4_N0";;;;;;;2.5;;0.44;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM453574;MM453574;C#CC(CF)C(C)=NN=C;QSWRFNHGTMGXQT-UHFFFAOYSA-N;140.16;1.28;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_Na";;;;;;;1.64;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM453575;MM453575;C=CCC=CCC#CC=O;SEFVGRRVEXASGH-UHFFFAOYSA-N;134.18;1.71;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1_P1";;;;;;;2.08;;0.48;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM453576;MM453576;CNc1cnn(N)c(=O)c1;NQFCJCVAIGEYLN-UHFFFAOYSA-N;140.15;-1;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNd_SP2";;;;;;;-0.24;;-3.16;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM453577;MM453577;C=CCC=CCC#CC#N;DVSHLZOPFDQIRL-UHFFFAOYSA-N;131.18;2.04;;;;;DOPC;MDCG;27;0;"MARTINI bead: C2_N0";;;;;;;3.13;;0.3;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM453578;MM453578;N#CCN1CC(C#N)C=N1;SNEQYFUZMYVSKX-UHFFFAOYSA-N;134.14;-0.05;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP1_SP1";;;;;;;-0.79;;-3.13;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM453579;MM453579;C#CCN1CC(C#N)C=N1;ZJUIFOUWZRIBBG-UHFFFAOYSA-N;133.15;0.06;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP1_SP1";;;;;;;-0.79;;-3.13;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM453580;MM453580;N#CC#CCC=CCC=O;GAMWQHHRFDYXEB-UHFFFAOYSA-N;133.15;1.05;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_N0";;;;;;;1.17;;-1.18;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM453581;MM453581;C#CCC1CC(C#N)=NN1;ZAINWVKDQXZWKF-UHFFFAOYSA-N;133.15;0.25;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNd_SP1";;;;;;;0.04;;-2.63;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM453582;MM453582;N#CC#CCC=CCC#N;BZPUMHJFNLKLRV-UHFFFAOYSA-N;130.15;1.37;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_N0";;;;;;;0.34;;-1.53;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM453583;MM453583;C=CC#CCC=CNC=N;XHCDDBUJLUFYJK-UHFFFAOYSA-N;134.18;1.28;;;;;DOPC;MDCG;27;1;"MARTINI bead: C4_P2";;;;;;;1.09;;-4.28;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM453584;MM453584;CC#CC1CC(CC)=NN1;YBYYOCPTRSZJQU-UHFFFAOYSA-N;136.2;1.14;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP1_SNd";;;;;;;0.04;;-2.63;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM453585;MM453585;C=CC#CCC=COC=C;QOSAPYMYOPSGKU-UHFFFAOYSA-N;134.18;2.24;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_C4";;;;;;;2.97;;0.45;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM453586;MM453586;C#CC1CC(CCC)=NN1;WYIVRAVSKQYFCQ-UHFFFAOYSA-N;136.2;1.14;;;;;DOPC;MDCG;27;0;"MARTINI bead: SN0_SP1";;;;;;;0.34;;-1.53;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM453587;MM453587;CC=NNC1CC1CC#N;JTXSTFCXDXSPJL-UHFFFAOYSA-N;137.19;0.88;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nd_SC5";;;;;;;1.64;;0.02;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM453588;MM453588;C=COC=CCC#CC#N;WQYUYANBZYNUCG-UHFFFAOYSA-N;133.15;1.58;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_N0";;;;;;;1.94;;0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM453589;MM453589;C=CC#CCC=NNC=O;TZVSPHPLBIBMRK-UHFFFAOYSA-N;136.15;0.3;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4_P2";;;;;;;1.09;;-0.38;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM453590;MM453590;ON=C1CCC(CF)=NN1;PPWIPWPMSXJYKV-UHFFFAOYSA-N;145.14;0.48;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP1_SNa";;;;;;;0.04;;-2.54;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM453591;MM453591;C=CC#CC#CCNN=C;USROHBIGSRVZMD-UHFFFAOYSA-N;132.17;0.38;;;;;DOPC;MDCG;27;0;"MARTINI bead: C2_P1";;;;;;;2;;0.29;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM453592;MM453592;O=CC#CCC=NNC=O;NAXPRDVHLDWDLL-UHFFFAOYSA-N;138.13;-0.69;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_C5";;;;;;;0.54;;-1.09;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM453593;MM453593;O=CC#CCC=NOC=O;XPEQIUHMNVZIKB-UHFFFAOYSA-N;139.11;-0.26;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_C5";;;;;;;0.81;;-0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM453594;MM453594;NC1=CC(=O)C=N1;KKBAIHATHFJMQD-UHFFFAOYSA-N;96.09;-0.56;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNd_SNa";;;;;;;0.87;;-1.88;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM453595;MM453595;C#CCC=CCC#CC=C;YTTKXCUGYTYKGZ-UHFFFAOYSA-N;130.19;2.15;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4_C5";;;;;;;2.97;;0.45;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM453596;MM453596;C#CCNC(=N)C=O;WXEWPTUUSWZEBX-UHFFFAOYSA-N;110.12;-0.61;;;;;DOPC;MDCG;27;0;"MARTINI bead: P3_N0";;;;;;;-0.8;;-2.99;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM453597;MM453597;C#CCC=CCC#CC#N;MLAGWEPMBBBTLG-UHFFFAOYSA-N;129.16;1.48;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_N0";;;;;;;1.94;;0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM453598;MM453598;CN1CC(C#N)C=N1;YLELHKFUWCBTSK-UHFFFAOYSA-N;109.13;0.06;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP1_SP1";;;;;;;-0.79;;-3.13;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM453599;MM453599;C#CC#CCC=CCCC;MHXLYFWWIZJTBQ-UHFFFAOYSA-N;132.21;2.37;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1_C4";;;;;;;4.24;;0.42;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM453600;MM453600;C#CC(C)(C=C)NN=C;PSXJETZTWMWLKR-UHFFFAOYSA-N;122.17;0.77;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4_P1";;;;;;;1.37;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM453601;MM453601;C#CC#CCC=CCCN;GSWJJVWMYNUDBX-UHFFFAOYSA-N;133.19;0.92;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_C4";;;;;;;2.2;;-2.18;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM453602;MM453602;C#CC(F)C=NOCC;XJOQXBREYFLJJQ-UHFFFAOYSA-N;129.13;0.98;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_C5";;;;;;;0.81;;-0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM453603;MM453603;C#CC#CCC=CCCO;PVQRYZXZIMDPDL-UHFFFAOYSA-N;134.18;0.95;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda_C4";;;;;;;2.2;;0.49;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM453604;MM453604;CCC1(O)CCCC1C;HAZILTOOGSCQHL-UHFFFAOYSA-N;128.22;1.95;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC5_SC3";;;;;;;3.34;;0.48;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM453605;MM453605;C#CC#CCC=CCCF;SPIAJQOFVZFRFZ-UHFFFAOYSA-N;136.17;1.93;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4_C2";;;;;;;4.16;;0.44;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM453606;MM453606;CC12CC1N=C(C#N)N2;ABULSVCRTQMOOP-UHFFFAOYSA-N;121.14;0.04;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC5_SP1";;;;;;;0.81;;-0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM453607;MM453607;C#CC#CCC=CCNC;SUQYELMHUHNXFT-UHFFFAOYSA-N;133.19;0.79;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_C4";;;;;;;2.2;;-1.76;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM453608;MM453608;COC1CC(NN)=NO1;DVXOXOLOUNWQOV-UHFFFAOYSA-N;131.14;-0.84;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNa_SP2";;;;;;;-0.24;;-3.24;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM453609;MM453609;C#CC#CCC=CCOC;QYAYJWNLBFBGSJ-UHFFFAOYSA-N;134.18;1.22;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_C3";;;;;;;1.74;;0.29;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM453610;MM453610;CCN1CC(C#N)C=N1;CWUGOPAFFICHIC-UHFFFAOYSA-N;123.16;0.45;;;;;DOPC;MDCG;27;0;"MARTINI bead: SN0_SP1";;;;;;;0.34;;-1.53;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM453611;MM453611;C#CC#CCC=COCC;SLFYGUBUAXTIJM-UHFFFAOYSA-N;134.18;1.56;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_C4";;;;;;;2.97;;0.45;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM453612;MM453612;CC=C1CCC(CC)=CO1;XXZSTDKCZBJFHJ-UHFFFAOYSA-N;138.21;2.99;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC5_SC4";;;;;;;2.97;;0.45;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM453613;MM453613;C#CC#CCC=NNCC;HCNLBMKLIYLKDI-UHFFFAOYSA-N;134.18;0.61;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_C2";;;;;;;2;;0.29;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM453614;MM453614;CC=C1CCC(CN)=CO1;PULVVOJASLIZIV-UHFFFAOYSA-N;139.2;1.54;;;;;DOPC;MDCG;27;1;"MARTINI bead: SC4_SP1";;;;;;;1.37;;-2.12;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM453615;MM453615;C#CC#CCC=NOCC;LWEODHQCDBICKJ-UHFFFAOYSA-N;135.17;1.04;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_C4";;;;;;;2.2;;0.34;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM453616;MM453616;CC=C1CCC(CO)=CO1;PPRZGTHTJMMHRD-UHFFFAOYSA-N;140.18;1.58;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC4_SNda";;;;;;;2.2;;0.49;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM453617;MM453617;C#CC#CCC=CCC=C;GBWWDFHIEWBCCN-UHFFFAOYSA-N;130.19;2.15;;;;;DOPC;MDCG;27;0;"MARTINI bead: C2_C4";;;;;;;4.16;;0.44;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM453618;MM453618;CC=C1CCC(CF)=CO1;FVYXMNCMZTXWSE-UHFFFAOYSA-N;142.17;2.55;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC4_SNa";;;;;;;2.2;;0.34;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM453619;MM453619;C#CC#CCC=CCC=O;STOOHJXRGFATLM-UHFFFAOYSA-N;132.16;1.16;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_C2";;;;;;;2.83;;0.35;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM453620;MM453620;CCC1=COC(=CF)CC1;MHYKHBMZARMMPQ-UHFFFAOYSA-N;142.17;2.9;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC5_SC5";;;;;;;2.41;;0.64;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM453621;MM453621;C#CC#CCC=CCC#N;WHYSUSGHILHEPP-UHFFFAOYSA-N;129.16;1.48;;;;;DOPC;MDCG;27;0;"MARTINI bead: C2_P1";;;;;;;2;;0.29;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM453622;MM453622;NCC1=COC(=CF)CC1;JQKIACMYIKCMSE-UHFFFAOYSA-N;143.16;1.45;;;;;DOPC;MDCG;27;1;"MARTINI bead: SP1_SC5";;;;;;;0.81;;-2.66;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM453623;MM453623;C#CC#CCC=CNC=N;MMFAHAZTMXHPMD-UHFFFAOYSA-N;132.17;0.72;;;;;DOPC;MDCG;27;1;"MARTINI bead: P2_C4";;;;;;;1.09;;-4.28;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM453624;MM453624;OCC1=COC(=CF)CC1;IWMOJSVWRRJCJC-UHFFFAOYSA-N;144.15;1.48;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNda_SC5";;;;;;;1.64;;0.05;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM453625;MM453625;C#CC#CCC=CNC=O;RVMHAIHISGICRO-UHFFFAOYSA-N;133.15;0.27;;;;;DOPC;MDCG;27;0;"MARTINI bead: P3_C2";;;;;;;0.86;;-0.3;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM453626;MM453626;FC=C1CCC(CF)=CO1;FNYAIGSUAARSRV-UHFFFAOYSA-N;146.14;2.46;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNa_SC5";;;;;;;1.64;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM453627;MM453627;C#CC#CCC=COC=C;NKMARMMKDQCUFM-UHFFFAOYSA-N;132.16;1.69;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_C4";;;;;;;2.97;;0.45;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM453628;MM453628;CC=C1CCC(OC)=CO1;MBOVEIROBGUHGJ-UHFFFAOYSA-N;140.18;2.19;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNa_SC4";;;;;;;2.2;;0.34;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM453629;MM453629;C#CC#CCC=COC=O;NCZHHQNIYAEWAR-UHFFFAOYSA-N;134.13;0.7;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_C4";;;;;;;2.2;;0.34;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM453630;MM453630;COC1=COC(=CF)CC1;SYOUDWXLMGCTSD-UHFFFAOYSA-N;144.15;2.1;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNa_SC5";;;;;;;1.64;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM453631;MM453631;C#CC#CCC=NNC=O;DKKJQUPWOZMWDS-UHFFFAOYSA-N;134.14;-0.26;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_C4";;;;;;;1.09;;-0.38;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM453632;MM453632;C#CC1CC(CC)=NN1;DZHDQNKNPIRKHA-UHFFFAOYSA-N;122.17;0.75;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP1_SP1";;;;;;;-0.79;;-3.13;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM453633;MM453633;C#CC#CCC=NOC=O;YNEFVDPMTXZQKF-UHFFFAOYSA-N;135.12;0.17;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_C4";;;;;;;1.37;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM453634;MM453634;O=CN1C=NC(=O)CC1;ZKTDCNDCPYVYTO-UHFFFAOYSA-N;126.12;-0.6;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP2_SP2";;;;;;;-1.34;;-4.31;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM453635;MM453635;C#CC#CCC=CCC#C;WMRIKXPKTPJRFH-UHFFFAOYSA-N;128.17;1.59;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_C4";;;;;;;2.97;;0.45;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM453636;MM453636;C#CCC=NNCC#C;CGIWTYMMWBITGV-UHFFFAOYSA-N;120.16;0.22;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_N0";;;;;;;0.34;;-1.53;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM453637;MM453637;CC=CC=CCC#CCC;SWQKBXUUHWUMKH-UHFFFAOYSA-N;134.22;2.92;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1_C2";;;;;;;4.87;;0.53;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM453638;MM453638;CCC1=COC(=NO)CC1;WNEOEGNCMPHPPW-UHFFFAOYSA-N;141.17;1.88;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC5_SNda";;;;;;;1.64;;0.05;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM453639;MM453639;CCC#CCC=CC=CF;MZMXCQHEVLBWMR-UHFFFAOYSA-N;138.19;2.83;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1_C4";;;;;;;4.24;;0.42;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM453640;MM453640;NCC1=COC(=NO)CC1;GVQUAZWLFJLELK-UHFFFAOYSA-N;142.16;0.43;;;;;DOPC;MDCG;27;1;"MARTINI bead: SP1_SNda";;;;;;;0.04;;-4.86;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM453641;MM453641;CC=CC=CCC#CCN;OYUGBKOUJLRZFZ-UHFFFAOYSA-N;135.21;1.47;;;;;DOPC;MDCG;27;1;"MARTINI bead: C1_Nd";;;;;;;2.91;;0.39;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM453642;MM453642;OCC1=COC(=NO)CC1;UOOJLHRZSZGGND-UHFFFAOYSA-N;143.14;0.46;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNda_SNda";;;;;;;0.87;;-2.07;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM453643;MM453643;NCC#CCC=CC=CF;ILVADWOZMJDJIZ-UHFFFAOYSA-N;139.17;1.38;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_C4";;;;;;;2.2;;-0.92;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM453644;MM453644;ON=C1CCC(CF)=CO1;RMGUTRHLZNMOJV-UHFFFAOYSA-N;145.13;1.44;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNda_SNa";;;;;;;0.87;;-1.99;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM453645;MM453645;CC=CC=CCC#CCO;TVZLCLFMZOIRAT-UHFFFAOYSA-N;136.19;1.5;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1_P2";;;;;;;1.8;;0.4;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM453646;MM453646;C=NNCC#CC#CC;CEVMYLSILVMUIS-UHFFFAOYSA-N;120.16;0.22;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4_P2";;;;;;;1.09;;-0.38;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM453647;MM453647;OCC#CCC=CC=CF;GRKSXDVPNULUKU-UHFFFAOYSA-N;140.16;1.41;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_C1";;;;;;;1.8;;0.4;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM453648;MM453648;COC1=COC(=NO)CC1;INTOVDVUVJGYSZ-UHFFFAOYSA-N;143.14;1.07;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNa_SNda";;;;;;;0.87;;-1.99;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM453649;MM453649;CC=CC=CCC#CCF;RQBQLPBWCQRLNX-UHFFFAOYSA-N;138.19;2.48;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1_Na";;;;;;;2.91;;0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM453650;MM453650;CCNN=C(C)C(C)(F)F;WOGIUEYRXWNFJN-UHFFFAOYSA-N;150.17;1.63;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nd_N0";;;;;;;1.17;;-1.04;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM453651;MM453651;CCC#CCC=CC=NO;ICPIKIANQHNYFS-UHFFFAOYSA-N;137.18;1.81;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1_P1";;;;;;;2.08;;0.48;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM453652;MM453652;CC1=CC(C)C(C)(O)C1C;LAFNOZBHMBCBQR-UHFFFAOYSA-N;140.23;1.97;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC2_SNda";;;;;;;2.83;;0.57;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM453653;MM453653;CC=NN=CCC#CCC;OYPUDCUNAHSZFP-UHFFFAOYSA-N;136.2;1.87;;;;;DOPC;MDCG;27;0;"MARTINI bead: C3_C5";;;;;;;3.34;;0.48;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM453654;MM453654;CC1=CCC(C)(O)C1(C)C;ODKUFQPJLRUDGX-UHFFFAOYSA-N;140.23;2.11;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC1_SNda";;;;;;;2.91;;0.57;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM453655;MM453655;CC=NN=CCC#CCN;YUMXGOZZHVYWHT-UHFFFAOYSA-N;137.19;0.42;;;;;DOPC;MDCG;27;1;"MARTINI bead: C5_Nd";;;;;;;1.64;;-1.39;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM453656;MM453656;CCC1=NOC(=NO)CC1;XYQOADQZSISUTO-UHFFFAOYSA-N;142.16;1.35;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC5_SNda";;;;;;;1.64;;0.05;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM453657;MM453657;CC=NN=CCC#CCO;CNNZZCUFLVZPQP-UHFFFAOYSA-N;138.17;0.45;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_Nda";;;;;;;1.64;;0.05;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM453658;MM453658;NCC1=NOC(=NO)CC1;IDWANVZIEQYVMI-UHFFFAOYSA-N;143.15;-0.1;;;;;DOPC;MDCG;27;1;"MARTINI bead: SP1_SNda";;;;;;;0.04;;-4.12;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM453659;MM453659;CC=NN=CCC#CCF;SHXGNBNLNDFNLX-UHFFFAOYSA-N;140.16;1.43;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_C5";;;;;;;2.41;;0.64;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM453660;MM453660;OCC1=NOC(=NO)CC1;CHTQOKAGNJRZFN-UHFFFAOYSA-N;144.13;-0.07;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP1_SNda";;;;;;;0.04;;-2.73;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM453661;MM453661;ON=C1CCC(CF)=NO1;VCPSLBYXNBPSKR-UHFFFAOYSA-N;146.12;0.91;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNda_SNa";;;;;;;0.87;;-1.99;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM453662;MM453662;C=CC#CCC=CC=CC;PQLGTBDNNGFJHZ-UHFFFAOYSA-N;132.21;2.7;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1_N0";;;;;;;3.21;;0.46;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM453663;MM453663;CC#CC(=NOC)NOC;KOSXOKMXTPCLQH-UHFFFAOYSA-N;142.16;0.12;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_C5";;;;;;;0.54;;-1.09;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM453664;MM453664;C=CC#CCC=CC=CF;MSMAPYCZBRIXCL-UHFFFAOYSA-N;136.17;2.61;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4_C2";;;;;;;4.16;;0.44;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM453665;MM453665;COC1=NOC(=NO)CC1;DOYSGNGGDBYVSP-UHFFFAOYSA-N;144.13;0.54;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNa_SNda";;;;;;;0.87;;-1.99;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM453666;MM453666;CC=CC=CCC#CC#N;GAJZFMKUYXJHAJ-UHFFFAOYSA-N;131.18;2.04;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1_N0";;;;;;;3.21;;0.46;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM453667;MM453667;ON=C1CNC(NO)=NO1;VGLZNQUGBWGDHJ-UHFFFAOYSA-N;146.11;-1.36;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP2_SP2";;;;;;;-1.34;;-4.31;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM453668;MM453668;C=CC#CCC=CC=NN;FMFBHPPIJGPTRW-UHFFFAOYSA-N;134.18;1.07;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nd_C4";;;;;;;2.2;;0.32;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM453669;MM453669;CCC1=COC(=CF)CO1;FEFFTIGESLATSW-UHFFFAOYSA-N;144.15;2.1;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNa_SNa";;;;;;;0.87;;-2.22;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM453670;MM453670;N#CC#CCC=CC=NO;ZZGRCQZQZBRWOU-UHFFFAOYSA-N;134.14;0.92;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda_N0";;;;;;;1.17;;-1.13;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM453671;MM453671;OCC1=COC(=CF)CO1;YVRUXFQXXGDOEE-UHFFFAOYSA-N;146.12;0.68;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP1_SNa";;;;;;;0.04;;-2.54;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM453672;MM453672;C=CC#CCC=NN=CC;LNYUOUUGKJFMLP-UHFFFAOYSA-N;134.18;1.64;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_C4";;;;;;;2.97;;0.45;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM453673;MM453673;Cn1cc(N)nc(F)c1=N;OYBCBWYJTXITBR-UHFFFAOYSA-N;142.14;-0.38;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP1_SP1";;;;;;;-0.79;;-3.13;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM453674;MM453674;CC=NN=CCC#CC=O;PAOKIFPAEPLIAY-UHFFFAOYSA-N;136.15;0.66;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_C5";;;;;;;2.41;;0.64;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM453675;MM453675;CCC1=COC(=NO)CO1;GVASGPDPJVHFFM-UHFFFAOYSA-N;143.14;1.07;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNa_SP1";;;;;;;0.04;;-2.54;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM453676;MM453676;CC=NN=CCC#CC#N;HXSXRCNADVFBCW-UHFFFAOYSA-N;133.15;0.98;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_N0";;;;;;;1.94;;0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM453677;MM453677;NCC1=COC(=NO)CO1;MLGQASWKXXNLPS-UHFFFAOYSA-N;144.13;-0.38;;;;;DOPC;MDCG;27;1;"MARTINI bead: SP2_SP1";;;;;;;-1.06;;-5.16;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM453678;MM453678;C#CC#CCC=CC=CC;HIKNWORKKQMREB-UHFFFAOYSA-N;130.19;2.15;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1_C4";;;;;;;4.24;;0.42;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM453679;MM453679;OCC1=COC(=NO)CO1;UPWFWHWBXYQPRB-UHFFFAOYSA-N;145.11;-0.35;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP1_SP1";;;;;;;-0.79;;-3.13;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM453680;MM453680;C#CC#CCC=CC=CF;YAIGXRXCBSZQCC-UHFFFAOYSA-N;134.15;2.05;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4_C2";;;;;;;4.16;;0.44;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM453681;MM453681;C=C1C(C#N)=NNC1(C)C;ZPKUHWFGSIJMMF-UHFFFAOYSA-N;135.17;0.8;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNd_SP1";;;;;;;0.04;;-2.63;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM453682;MM453682;C#CC#CCC=CC=NN;MJDZKKKFOQCDQQ-UHFFFAOYSA-N;132.17;0.51;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nd_C4";;;;;;;2.2;;0.32;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM453683;MM453683;CCC1=NOC(=NO)CO1;CLLXJIUWKKFVQS-UHFFFAOYSA-N;144.13;0.54;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNa_SP1";;;;;;;0.04;;-2.54;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM453684;MM453684;C#CC#CCC=CC=NO;IWNIOXRPYIUXIO-UHFFFAOYSA-N;133.15;1.03;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_C2";;;;;;;2;;0.3;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM453685;MM453685;CCC1=CCC(NC)=NC1;CGFZXOMWWQDFHD-UHFFFAOYSA-N;138.21;1.34;;;;;DOPC;MDCG;27;1;"MARTINI bead: SC4_SNd";;;;;;;2.2;;-2.97;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM453686;MM453686;C#CC#CCC=NN=CC;UDYSBMISGWVURL-UHFFFAOYSA-N;132.17;1.09;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_C4";;;;;;;2.97;;0.45;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM453687;MM453687;CCC1=CCC(=NN)NC1;GPYMKPLJSUOOSE-UHFFFAOYSA-N;139.2;0.59;;;;;DOPC;MDCG;27;1;"MARTINI bead: SN0_SNd";;;;;;;1.17;;-2.3;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM453688;MM453688;CC#CC=CCC#CCC;XHTKKHROEAEOKB-UHFFFAOYSA-N;132.21;2.37;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1_C4";;;;;;;4.24;;0.42;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM453689;MM453689;COC(=N)NN(C=O)C=O;UKDOQDXYNLXZGZ-UHFFFAOYSA-N;145.12;-1.31;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_P3";;;;;;;-1.93;;-4.72;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM453690;MM453690;CC#CC=CCC#CCN;JEBBJGBKBNYUOM-UHFFFAOYSA-N;133.19;0.92;;;;;DOPC;MDCG;27;1;"MARTINI bead: C4_Nd";;;;;;;2.2;;-0.92;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM453691;MM453691;NCC1=CCC(=NO)NC1;NYRRQKAGPAVCJP-UHFFFAOYSA-N;141.17;-0.35;;;;;DOPC;MDCG;27;1;"MARTINI bead: SP2_SNda";;;;;;;-0.24;;-4.62;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM453692;MM453692;CC#CC=CCC#CCO;QNDAFYXRHGSXGL-UHFFFAOYSA-N;134.18;0.95;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4_Nda";;;;;;;2.2;;0.49;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM453693;MM453693;C=CC(=O)OC(=NC)NN;QKNSWTXOJUMFCA-UHFFFAOYSA-N;143.15;-0.84;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_N0";;;;;;;0.06;;-2.21;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM453694;MM453694;CC#CC=CCC#CCF;DMXDZUHKYLDPLJ-UHFFFAOYSA-N;136.17;1.93;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4_C5";;;;;;;2.97;;0.45;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM453695;MM453695;CNC1=NCC(NN)=NN1;IBADFGWQMUOXTO-UHFFFAOYSA-N;142.17;-2.06;;;;;DOPC;MDCG;27;1;"MARTINI bead: SP1_SP2";;;;;;;-1.06;;-5;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM453696;MM453696;C=CC#CCC=CC#CC;SDQQJVKHOFVYFC-UHFFFAOYSA-N;130.19;2.15;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4_C4";;;;;;;3.53;;0.53;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM453697;MM453697;CON=CONC(=N)CF;TVLIHYKHWSBFAS-UHFFFAOYSA-N;149.13;0.04;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_Na";;;;;;;-0.24;;-3.24;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM453698;MM453698;CC#CC=CCC#CC=O;QTGHOJXGXXQBNC-UHFFFAOYSA-N;132.16;1.16;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4_C5";;;;;;;2.97;;0.45;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM453699;MM453699;CCC1=CNC(=NN)NC1;SPNUVFZKXIXVFP-UHFFFAOYSA-N;140.19;-0.3;;;;;DOPC;MDCG;27;1;"MARTINI bead: SP1_SP2";;;;;;;-1.06;;-6.61;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM453700;MM453700;CC#CC=CCC#CC#N;MOAZWGBDVJILIN-UHFFFAOYSA-N;129.16;1.48;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4_N0";;;;;;;2.5;;0.44;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM453701;MM453701;NN=C1NC=C(CO)CN1;FLZUMEDKHOFQDG-UHFFFAOYSA-N;142.16;-1.71;;;;;DOPC;MDCG;27;1;"MARTINI bead: SP2_SP3";;;;;;;-2.2;;-7.73;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM453702;MM453702;C#CC#CCC=CC#CC;WWTAAKYYGWTENI-UHFFFAOYSA-N;128.17;1.59;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4_C4";;;;;;;3.53;;0.53;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM453703;MM453703;NN=C1NC=C(CF)CN1;YRTJILWISUCRNL-UHFFFAOYSA-N;144.15;-0.74;;;;;DOPC;MDCG;27;1;"MARTINI bead: SP2_SP2";;;;;;;-1.34;;-6.79;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM453704;MM453704;CCCC#CCCCCC;KVUNBQMRRNMQIZ-UHFFFAOYSA-N;138.25;3.37;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1_C3";;;;;;;4.61;;0.31;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM453705;MM453705;CN=C1NC=C(OC)CN1;CQHGRBGOLIWNOL-UHFFFAOYSA-N;141.17;-0.35;;;;;DOPC;MDCG;27;1;"MARTINI bead: SP2_SP1";;;;;;;-1.06;;-6.97;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM453706;MM453706;CCCCCC#CCCN;PYVSXRHDAKDYHO-UHFFFAOYSA-N;139.24;1.92;;;;;DOPC;MDCG;27;1;"MARTINI bead: C1_Nd";;;;;;;2.91;;-0.24;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM453707;MM453707;COC1=CNC(=NN)NC1;RVFWXGDBZAZFKO-UHFFFAOYSA-N;142.16;-1.1;;;;;DOPC;MDCG;27;1;"MARTINI bead: SP2_SP2";;;;;;;-1.34;;-5.98;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM453708;MM453708;CCCC#CCCCCN;ZUTHFPOSTFCJIG-UHFFFAOYSA-N;139.24;1.92;;;;;DOPC;MDCG;27;1;"MARTINI bead: C3_Nd";;;;;;;2.57;;-1.51;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM453709;MM453709;CN=C1NCC(CF)=NN1;FEKZHFWTTUKYSV-UHFFFAOYSA-N;144.15;-0.51;;;;;DOPC;MDCG;27;1;"MARTINI bead: SP1_SP2";;;;;;;-1.06;;-5.41;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM453710;MM453710;NCCC#CCCCCN;SOFKMBXFVGMDNE-UHFFFAOYSA-N;140.23;0.47;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_Nd";;;;;;;0.87;;-5.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM453711;MM453711;C=CC=NNCC(=O)OC;DSXAPCFAYUMJBD-UHFFFAOYSA-N;142.16;-0.08;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_Nd";;;;;;;0.87;;-1.88;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM453712;MM453712;N#CCNN=CC1CC1;LNBKTKPBYYLGEK-UHFFFAOYSA-N;123.16;0.5;;;;;DOPC;MDCG;27;0;"MARTINI bead: P3_SC5";;;;;;;-0.33;;-2.01;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM453713;MM453713;CCC1=NNC(=NC)NN1;PDJLDQJPWFHXNS-UHFFFAOYSA-N;141.18;-0.61;;;;;DOPC;MDCG;27;1;"MARTINI bead: SP2_SP2";;;;;;;-1.34;;-5.41;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM453714;MM453714;NCCC#CCCCCO;KKGOLRCGQJYCKT-UHFFFAOYSA-N;141.21;0.5;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_Nda";;;;;;;0.87;;-4.36;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM453715;MM453715;CN=C1NN=C(CN)NN1;VOKGHSCGZYFTNJ-UHFFFAOYSA-N;142.17;-2.06;;;;;DOPC;MDCG;27;1;"MARTINI bead: SP2_SP3";;;;;;;-2.2;;-6.24;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM453716;MM453716;OCCC#CCCCCO;FQXBJBWGGDYUMN-UHFFFAOYSA-N;142.2;0.53;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda_Nda";;;;;;;0.87;;-2.07;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM453717;MM453717;C#CC(F)C=NOCC=C;BPUHEVSEGQKHFW-UHFFFAOYSA-N;141.15;1.15;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_Na";;;;;;;1.64;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM453718;MM453718;CNN=CC(F)(F)C(F)F;ANDWHHFNYWFEQG-UHFFFAOYSA-N;158.1;1.09;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nd_N0";;;;;;;1.17;;-1.04;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM453719;MM453719;ON=C1NN=C(CF)NN1;DTGCLLNQCXFNBG-UHFFFAOYSA-N;147.11;-1.29;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP3_SP2";;;;;;;-2.2;;-5.19;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM453720;MM453720;CCCCCC#CCNC;DCYLHZNHJCFLAC-UHFFFAOYSA-N;139.24;1.79;;;;;DOPC;MDCG;27;1;"MARTINI bead: C1_Nd";;;;;;;2.91;;0.27;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM453721;MM453721;CNC1=NNC(=NO)NN1;WNNMOKJFRYTHAJ-UHFFFAOYSA-N;144.14;-2.08;;;;;DOPC;MDCG;27;1;"MARTINI bead: SP3_SP3";;;;;;;-3.07;;-7.44;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM453722;MM453722;COCC#CCCCCN;LSAKZMPARPWAQR-UHFFFAOYSA-N;141.21;0.77;;;;;DOPC;MDCG;27;1;"MARTINI bead: Na_Nd";;;;;;;0.87;;-4.67;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM453723;MM453723;C#CC(F)C=NOCC#N;ZLFLIQRTATXSPG-UHFFFAOYSA-N;140.12;0.48;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_Na";;;;;;;0.87;;-2.22;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM453724;MM453724;CCCC#CCCCNC;MZJFRONJMGOZFN-UHFFFAOYSA-N;139.24;1.79;;;;;DOPC;MDCG;27;1;"MARTINI bead: C1_Nd";;;;;;;2.91;;-0.83;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM453725;MM453725;CCC1=NNC(=NO)NO1;LNCAZKUWQXFYIG-UHFFFAOYSA-N;144.13;-0.42;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP1_SP2";;;;;;;-1.06;;-3.82;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM453726;MM453726;CNCCCC#CCCN;VKODZVWEQWNAKU-UHFFFAOYSA-N;140.23;0.34;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_Nd";;;;;;;0.87;;-5.3;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM453727;MM453727;CNCCCC#CCCF;KNHPEDSILKDFDN-UHFFFAOYSA-N;143.21;1.35;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_Na";;;;;;;0.87;;-4.98;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM453728;MM453728;N#CC(N)=C(C#N)C=CF;UQWHBKWLZPZVKO-UHFFFAOYSA-N;137.12;0.73;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_C5";;;;;;;0.81;;-0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM453729;MM453729;COCCCC#CCCN;CJTRESOVHOECEQ-UHFFFAOYSA-N;141.21;0.77;;;;;DOPC;MDCG;27;1;"MARTINI bead: Na_Nd";;;;;;;0.87;;-4.33;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM453730;MM453730;CCNN=C(CF)C(C)F;HYHNMJRGCXJDMF-UHFFFAOYSA-N;150.17;1.28;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda_C5";;;;;;;1.64;;0.05;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM453731;MM453731;CNCC#CCCCOC;JISIEWPDEOYPGI-UHFFFAOYSA-N;141.21;0.64;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_Na";;;;;;;0.87;;-3.62;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM453732;MM453732;ON=C1NN=C(NO)ON1;ZBLRVBJIBDKTBC-UHFFFAOYSA-N;147.09;-1.89;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP2_SP2";;;;;;;-1.34;;-4.31;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM453733;MM453733;CCCC#CCCNCC;XURSFRPKQDBHRN-UHFFFAOYSA-N;139.24;1.79;;;;;DOPC;MDCG;27;1;"MARTINI bead: C1_Nd";;;;;;;2.91;;-0.44;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM453734;MM453734;CC=C1CC=C(CC)CO1;UWRUHHANZCISEG-UHFFFAOYSA-N;138.21;2.65;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC5_SC4";;;;;;;2.97;;0.45;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM453735;MM453735;CCNCCC#CCCN;XAERCIWCIVDTFE-UHFFFAOYSA-N;140.23;0.34;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_Nd";;;;;;;0.87;;-4.99;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM453736;MM453736;CCC1=CCC(=CF)OC1;YEFJIRGOVIOPQD-UHFFFAOYSA-N;142.17;2.55;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC5_SC5";;;;;;;2.41;;0.64;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM453737;MM453737;CCNCCC#CCNC;WJAGMZZKFRGRPJ-UHFFFAOYSA-N;140.23;0.21;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_Nd";;;;;;;0.87;;-4.81;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM453738;MM453738;NCC1=CCC(=CF)OC1;MVMJWIPKLCOCOI-UHFFFAOYSA-N;143.16;1.1;;;;;DOPC;MDCG;27;1;"MARTINI bead: SP1_SC5";;;;;;;0.81;;-2.66;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM453739;MM453739;CCCC#CCCOCC;COLODDROZXZFER-UHFFFAOYSA-N;140.23;2.22;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1_Na";;;;;;;2.91;;0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM453740;MM453740;FC=C1CC=C(CF)CO1;CHHOKGRGHSQXAQ-UHFFFAOYSA-N;146.14;2.11;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNa_SC5";;;;;;;1.64;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM453741;MM453741;CCOCCC#CCCN;JWRLSADTPMPMLO-UHFFFAOYSA-N;141.21;0.77;;;;;DOPC;MDCG;27;1;"MARTINI bead: Na_Nd";;;;;;;0.87;;-4.33;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM453742;MM453742;CCC(C#CC=NN)CF;CCGPPRDUBNGMEA-UHFFFAOYSA-N;142.18;0.93;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4_P1";;;;;;;1.37;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM453743;MM453743;CCOCCC#CCNC;KIKGQKMLKBMWQG-UHFFFAOYSA-N;141.21;0.64;;;;;DOPC;MDCG;27;1;"MARTINI bead: Na_Nd";;;;;;;0.87;;-3.61;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM453744;MM453744;CCC1=CCC(=NO)OC1;HHABJYMYSLXWTA-UHFFFAOYSA-N;141.17;1.53;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC5_SNda";;;;;;;1.64;;0.05;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM453745;MM453745;CCCC#CCNCCC;IRJZYTRKBAYOMM-UHFFFAOYSA-N;139.24;1.79;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_C1";;;;;;;2.91;;0.15;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM453746;MM453746;NCC1=CCC(=NO)OC1;ZFSYBOOUTDFORR-UHFFFAOYSA-N;142.16;0.08;;;;;DOPC;MDCG;27;1;"MARTINI bead: SP1_SNda";;;;;;;0.04;;-4.86;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM453747;MM453747;CCCNCC#CCCN;DFWASAITOHEJTM-UHFFFAOYSA-N;140.23;0.34;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_Nd";;;;;;;0.87;;-4.67;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM453748;MM453748;OCC1=CCC(=NO)OC1;VLVWDRRBMALREE-UHFFFAOYSA-N;143.14;0.11;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP1_SNda";;;;;;;0.04;;-2.73;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM453749;MM453749;OCCNCC#CCCF;QKVBZPPCIANKRZ-UHFFFAOYSA-N;145.18;-0.07;;;;;DOPC;MDCG;27;1;"MARTINI bead: P3_C4";;;;;;;0.23;;-2.21;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM453750;MM453750;C=CCN1CC(C#N)C=N1;IPBQCUNHPRIILI-UHFFFAOYSA-N;135.17;0.61;;;;;DOPC;MDCG;27;0;"MARTINI bead: SN0_SP1";;;;;;;0.34;;-1.53;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM453751;MM453751;NCCC#CCNCCF;OANSWAOMVWZKDW-UHFFFAOYSA-N;144.19;-0.1;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_P1";;;;;;;0.04;;-5.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM453752;MM453752;CCC1=CNC(=NO)OC1;LCUXXBXXXCYSRM-UHFFFAOYSA-N;142.16;0.65;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP1_SP1";;;;;;;-0.79;;-3.13;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM453753;MM453753;CCCNCC#CCNC;VSABTSBGOJZMJD-UHFFFAOYSA-N;140.23;0.21;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_Nd";;;;;;;0.87;;-4.22;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM453754;MM453754;NCC1=CNC(=NO)OC1;GELBRJJQTLRTSE-UHFFFAOYSA-N;143.15;-0.81;;;;;DOPC;MDCG;27;1;"MARTINI bead: SP2_SP1";;;;;;;-1.06;;-5.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM453755;MM453755;CNCC#CCNCCN;GLIFLZYAXAPIEH-UHFFFAOYSA-N;141.22;-1.24;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1_P1";;;;;;;-0.79;;-5.35;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM453756;MM453756;OCC1=CNC(=NO)OC1;LWNBYBJZADCUMD-UHFFFAOYSA-N;144.13;-0.77;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP2_SP1";;;;;;;-1.06;;-3.82;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM453757;MM453757;CNCC#CCNCCO;ZDKKYMWGDJHZIO-UHFFFAOYSA-N;142.2;-1.21;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1_P1";;;;;;;-0.79;;-4.94;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM453758;MM453758;N#Cc1nnn(C=N)c1N;UUHZNIBTVFODSV-UHFFFAOYSA-N;136.12;-0.81;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP1_SP2";;;;;;;-1.06;;-3.82;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM453759;MM453759;COCC#CCNCCO;GCPGQPKIIJCGQP-UHFFFAOYSA-N;143.19;-0.78;;;;;DOPC;MDCG;27;1;"MARTINI bead: Na_P2";;;;;;;-0.24;;-4.37;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM453760;MM453760;COC1=CNC(=NO)OC1;RSTQCIDXYFMJEC-UHFFFAOYSA-N;144.13;-0.16;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP2_SP1";;;;;;;-1.06;;-3.82;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM453761;MM453761;CCCC#CCOCCC;SQMSGZGCYIKSIC-UHFFFAOYSA-N;140.23;2.22;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_C3";;;;;;;2.57;;0.45;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM453762;MM453762;C=CC1=CCC(=CC)CC1;PSOIUYGZXSOPMG-UHFFFAOYSA-N;134.22;3.23;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC1_SC1";;;;;;;4.95;;0.69;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM453763;MM453763;CCCOCC#CCCN;ADLZEGHYBFPZIW-UHFFFAOYSA-N;141.21;0.77;;;;;DOPC;MDCG;27;1;"MARTINI bead: Na_Nd";;;;;;;0.87;;-4.31;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM453764;MM453764;CC=C1CC=C(C=O)CC1;PEVRYQCUWVHCJL-UHFFFAOYSA-N;136.19;2.24;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC1_SNa";;;;;;;2.91;;0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM453765;MM453765;CCCOCC#CCCO;ZYBSRHSILUVVPA-UHFFFAOYSA-N;142.2;0.8;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_Nda";;;;;;;0.87;;-1.99;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM453766;MM453766;CC=C1CC=C(C#N)CC1;FFQAOKNSBTYRJJ-UHFFFAOYSA-N;133.19;2.57;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC1_SC5";;;;;;;3.68;;0.46;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM453767;MM453767;CCCC#CCOCCN;BNXZZZCQICCCME-UHFFFAOYSA-N;141.21;0.77;;;;;DOPC;MDCG;27;1;"MARTINI bead: C3_P2";;;;;;;1.46;;-2.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM453768;MM453768;C=CC1=CCC(=CF)CC1;XOLNCICDJMMYLZ-UHFFFAOYSA-N;138.19;3.14;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC4_SC1";;;;;;;4.24;;0.42;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM453769;MM453769;NCCOCC#CCCO;NDSUGSJDWKMQEL-UHFFFAOYSA-N;143.19;-0.65;;;;;DOPC;MDCG;27;1;"MARTINI bead: P2_Nda";;;;;;;-0.24;;-5.34;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM453770;MM453770;O=CC1=CCC(=CF)CC1;KPLGMRGOQRWHGC-UHFFFAOYSA-N;140.16;2.15;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC4_SNa";;;;;;;2.2;;0.34;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM453771;MM453771;CCCC#CCOCCO;NGUCVMKGHWJHNE-UHFFFAOYSA-N;142.2;0.8;;;;;DOPC;MDCG;27;0;"MARTINI bead: C3_P2";;;;;;;1.46;;-0.15;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM453772;MM453772;N#CC1=CCC(=CF)CC1;ZOIUUZYCLTULGE-UHFFFAOYSA-N;137.16;2.47;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC4_SC5";;;;;;;2.97;;0.45;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM453773;MM453773;NCCC#CCOCCO;GZRQKOZBMSYHKB-UHFFFAOYSA-N;143.19;-0.65;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_P2";;;;;;;-0.24;;-5.57;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM453774;MM453774;C=CC1=CCC(=NN)CC1;GNGYDNWUWYESJR-UHFFFAOYSA-N;136.2;1.6;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNd_SC1";;;;;;;2.91;;0.63;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM453775;MM453775;OCCC#CCOCCO;KUEAEZLQDDSWKF-UHFFFAOYSA-N;144.17;-0.62;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_Nda";;;;;;;-0.24;;-3.31;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM453776;MM453776;CCC=NNCC#CC#N;LSSUWLWWEZZZRS-UHFFFAOYSA-N;135.17;0.5;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nd_N0";;;;;;;1.17;;-1.04;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM453777;MM453777;O=CC1=CCC(=NO)CC1;IWEOTPJIPDKPFA-UHFFFAOYSA-N;139.15;1.13;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNda_SNa";;;;;;;0.87;;-1.99;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM453778;MM453778;CCCC#CCOCCF;JFCKFLVKYHGEIT-UHFFFAOYSA-N;144.19;1.78;;;;;DOPC;MDCG;27;0;"MARTINI bead: C3_Na";;;;;;;2.57;;0.45;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM453779;MM453779;N#CC1=CCC(=NO)CC1;VTOSHIVONMDYMH-UHFFFAOYSA-N;136.15;1.45;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNda_SC5";;;;;;;1.64;;0.05;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM453780;MM453780;FCCC#CCOCCF;USKIRYTXAFCJKK-UHFFFAOYSA-N;148.15;1.34;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_Na";;;;;;;0.87;;-2.22;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM453781;MM453781;C=CC1=NCC(=CC)CN1;LEZYMTLMMINXLP-UHFFFAOYSA-N;136.2;1.12;;;;;DOPC;MDCG;27;1;"MARTINI bead: SN0_SNd";;;;;;;1.17;;-3.83;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM453782;MM453782;CCCOCC#CCNC;WKMLFBKNIRPPGD-UHFFFAOYSA-N;141.21;0.64;;;;;DOPC;MDCG;27;1;"MARTINI bead: Na_Nd";;;;;;;0.87;;-3.54;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM453783;MM453783;CCCOCC#CCOC;FZGXLQGJRQLCPW-UHFFFAOYSA-N;142.2;1.06;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_Na";;;;;;;0.87;;-2.22;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM453784;MM453784;CC=C1CN=C(C=O)NC1;XXSKOVVNWNBRJG-UHFFFAOYSA-N;138.17;0.13;;;;;DOPC;MDCG;27;0;"MARTINI bead: SN0_SP1";;;;;;;0.34;;-1.53;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM453785;MM453785;CCCC#CCOCOC;OWOLVBQSBLZPKC-UHFFFAOYSA-N;142.2;1.41;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1_P2";;;;;;;1.8;;0.4;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM453786;MM453786;C=CC1=CCC(=CC)CO1;GFOOIIFPOBBSOM-UHFFFAOYSA-N;136.19;2.42;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC5_SC5";;;;;;;2.41;;0.64;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM453787;MM453787;COCC#CCOCOC;WVLNRZQEYUOPTA-UHFFFAOYSA-N;144.17;0.26;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_C5";;;;;;;0.54;;-1.09;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM453788;MM453788;C=CC1=CCC(=CF)CO1;QXDYUAKCUVHMBR-UHFFFAOYSA-N;140.16;2.33;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNa_SC5";;;;;;;1.64;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM453789;MM453789;C=CCC#CCCCCC;VIHLRKUNALRENO-UHFFFAOYSA-N;136.24;3.15;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1_C3";;;;;;;4.61;;0.31;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM453790;MM453790;C=CC1=CCC(=NN)CO1;NTQMFRUVZCDRQN-UHFFFAOYSA-N;138.17;0.79;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNd_SC5";;;;;;;1.64;;0.02;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM453791;MM453791;CCCCCC#CCC=O;NXCFMLWEUGSRHW-UHFFFAOYSA-N;138.21;2.16;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1_Na";;;;;;;2.91;;0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM453792;MM453792;C=CC1=CCC(=NO)CO1;VYTJYYCEQIVMLF-UHFFFAOYSA-N;139.15;1.31;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNda_SC5";;;;;;;1.64;;0.05;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM453793;MM453793;CCCCCC#CCC#N;GSITXSPEBKQSRT-UHFFFAOYSA-N;135.21;2.48;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1_N0";;;;;;;3.21;;0.46;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM453794;MM453794;O=CC1=CCC(=NO)CO1;NAUBCNCHNKFOGD-UHFFFAOYSA-N;141.13;0.32;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNda_SNa";;;;;;;0.87;;-1.99;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM453795;MM453795;C=CCC#CCCCCN;LQQYZUDMYNFRJR-UHFFFAOYSA-N;137.23;1.69;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_C3";;;;;;;2.57;;-1.51;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM453796;MM453796;C=CC1=CNC(=NC)CC1;WFRBOJBKBFCCGY-UHFFFAOYSA-N;136.2;1.47;;;;;DOPC;MDCG;27;1;"MARTINI bead: SNd_SN0";;;;;;;1.17;;-4.65;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM453797;MM453797;CCNN=CC(C)(C)C#N;ZLPKMLYRXRKVOB-UHFFFAOYSA-N;139.2;1.13;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_C5";;;;;;;0.81;;-0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM453798;MM453798;CN=C1CCC(C=O)=CN1;AMEAEYAXAMAODS-UHFFFAOYSA-N;138.17;0.48;;;;;DOPC;MDCG;27;1;"MARTINI bead: SNd_SP1";;;;;;;0.04;;-5.62;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM453799;MM453799;C#CC(F)(F)C=NNCC;JYCZIOHDOVDPIT-UHFFFAOYSA-N;146.14;0.85;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_C5";;;;;;;0.81;;-0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM453800;MM453800;CN=C1CCC(C#N)=CN1;QQFVDRMUJJHVAP-UHFFFAOYSA-N;135.17;0.81;;;;;DOPC;MDCG;27;1;"MARTINI bead: SNd_SN0";;;;;;;1.17;;-3.72;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM453801;MM453801;N#CCC#CCCCCO;GCMAJROYVFAZMD-UHFFFAOYSA-N;137.18;1.07;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_N0";;;;;;;0.34;;-1.53;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM453802;MM453802;C=CC1=CNC(=NN)CC1;LHEGNRFGBAGJBK-UHFFFAOYSA-N;137.19;0.71;;;;;DOPC;MDCG;27;1;"MARTINI bead: SNd_SN0";;;;;;;1.17;;-2.34;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM453803;MM453803;C=CCC#CCCCCF;VEQWGHDWSGWCBT-UHFFFAOYSA-N;140.2;2.71;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4_C3";;;;;;;3.9;;0.47;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM453804;MM453804;C#CCC=NNCC#CC;IHPJAFCRUNOYRT-UHFFFAOYSA-N;134.18;0.61;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4_Nd";;;;;;;2.2;;0.32;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM453805;MM453805;C=CCC#CCCCNC;NODMHYLOFGHMPN-UHFFFAOYSA-N;137.23;1.57;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_C3";;;;;;;2.57;;-1.81;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM453806;MM453806;C#CCNN=CCC#CC;BIGMQWNXOCCUMR-UHFFFAOYSA-N;134.18;0.61;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4_P1";;;;;;;1.37;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM453807;MM453807;CNCCCC#CCC=O;LCJXRAKFHQBEIB-UHFFFAOYSA-N;139.2;0.58;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_Na";;;;;;;0.87;;-4.88;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM453808;MM453808;N#CC1=CNC(=NO)CC1;MFJXCNUEAXRCNJ-UHFFFAOYSA-N;137.14;0.56;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNda_SN0";;;;;;;1.17;;-1.13;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM453809;MM453809;CNCCCC#CCC#N;LFJQTAAEEJPCOQ-UHFFFAOYSA-N;136.2;0.9;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_N0";;;;;;;1.17;;-4.12;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM453810;MM453810;C=NNCC#CC#CCC;UEDIKRNKPQGDOJ-UHFFFAOYSA-N;134.18;0.61;;;;;DOPC;MDCG;27;0;"MARTINI bead: C2_P2";;;;;;;1.72;;0.27;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM453811;MM453811;C=CCC#CCCCOC;ASXZMDXTSONSHO-UHFFFAOYSA-N;138.21;1.99;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_C3";;;;;;;2.57;;0.45;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM453812;MM453812;C#CC(F)C=NOC;IRJYBHKQIRHLGK-UHFFFAOYSA-N;115.11;0.59;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_C5";;;;;;;0.54;;-1.09;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM453813;MM453813;COCCCC#CCC=O;ABEOEFLHPRIBAA-UHFFFAOYSA-N;140.18;1.01;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_C5";;;;;;;1.64;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM453814;MM453814;NN=CCCC(F)(F)F;TUNOGRFAZSVHTN-UHFFFAOYSA-N;140.11;1.27;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nd_N0";;;;;;;1.17;;-1.04;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM453815;MM453815;COCCCC#CCC#N;YYISQLXSWOLDMZ-UHFFFAOYSA-N;137.18;1.33;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_N0";;;;;;;1.17;;-1.18;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM453816;MM453816;C=CC(F)(F)CNN=C;HASLHRJVXKWHGS-UHFFFAOYSA-N;134.13;1.01;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_P1";;;;;;;0.81;;-0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM453817;MM453817;C=CCC#CCCNCC;IPWGRGNSSMLHPR-UHFFFAOYSA-N;137.23;1.57;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_C3";;;;;;;2.57;;-1.38;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM453818;MM453818;C=CC1=NNC(=NO)CC1;NGFYZKQBWMFTOC-UHFFFAOYSA-N;139.16;0.7;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP1_SN0";;;;;;;0.34;;-1.53;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM453819;MM453819;CCNCCC#CCC=O;GXLVOLDCAMBSCV-UHFFFAOYSA-N;139.2;0.58;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_C5";;;;;;;1.64;;-2.45;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM453820;MM453820;O=CC1=NNC(=NO)CC1;UTCMDIUTECBTEC-UHFFFAOYSA-N;141.13;-0.29;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP1_SP1";;;;;;;-0.79;;-3.13;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM453821;MM453821;CCNCCC#CCC#N;UQFFEIXQYPKKPG-UHFFFAOYSA-N;136.2;0.9;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_N0";;;;;;;1.17;;-3.67;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM453822;MM453822;N#CC1=NNC(=NO)CC1;LPMOKEDBAYYZQG-UHFFFAOYSA-N;138.13;0.04;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP1_SP1";;;;;;;-0.79;;-3.13;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM453823;MM453823;C=CCC#CCCOCC;FCRMODMRHFUYRQ-UHFFFAOYSA-N;138.21;1.99;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_C3";;;;;;;2.57;;0.45;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM453824;MM453824;O=CC1=NCC(=NO)NN1;QECBLHQHQPMFHI-UHFFFAOYSA-N;142.12;-1.52;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP3_SP2";;;;;;;-2.2;;-5.19;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM453825;MM453825;CCOCCC#CCC=O;BHUIACBRRWQGHT-UHFFFAOYSA-N;140.18;1.01;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_Na";;;;;;;1.64;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM453826;MM453826;C=CC1=COC(=CC)CC1;GUULJMSIENHQAU-UHFFFAOYSA-N;136.19;2.77;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC4_SC5";;;;;;;2.97;;0.45;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM453827;MM453827;CCOCCC#CCC#N;WTUOEJCESIFLJM-UHFFFAOYSA-N;137.18;1.33;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_N0";;;;;;;1.17;;-1.18;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM453828;MM453828;CC=C1CCC(C=O)=CO1;NLCNUHXYDWLGGP-UHFFFAOYSA-N;138.17;1.78;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC4_SNa";;;;;;;2.2;;0.34;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM453829;MM453829;C=CCC#CCNCCC;RFPTZZQSEXYACJ-UHFFFAOYSA-N;137.23;1.57;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_C3";;;;;;;2.57;;-0.67;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM453830;MM453830;CC=C1CCC(C#N)=CO1;FMPDXBZCBIFFFI-UHFFFAOYSA-N;135.17;2.11;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC4_SN0";;;;;;;2.5;;0.44;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM453831;MM453831;CCCNCC#CCC#N;VICCBUISTKHSLX-UHFFFAOYSA-N;136.2;0.9;;;;;DOPC;MDCG;27;1;"MARTINI bead: C3_P1";;;;;;;1.74;;-1.23;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM453832;MM453832;C=CC1=COC(=CF)CC1;UAEXUZSYRHXZKO-UHFFFAOYSA-N;140.16;2.68;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC5_SC5";;;;;;;2.41;;0.64;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM453833;MM453833;C=CCC#CCNCCN;UQNFPHXVPNAACZ-UHFFFAOYSA-N;138.21;0.11;;;;;DOPC;MDCG;27;1;"MARTINI bead: P4_C3";;;;;;;0.52;;-3.55;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM453834;MM453834;O=CC1=COC(=CF)CC1;ZVUQSHPZWUOYER-UHFFFAOYSA-N;142.13;1.69;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC5_SNa";;;;;;;1.64;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM453835;MM453835;C=CCC#CCNCCO;SRSLYVKDTGSACG-UHFFFAOYSA-N;139.2;0.15;;;;;DOPC;MDCG;27;1;"MARTINI bead: P3_C3";;;;;;;0.6;;-1.96;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM453836;MM453836;N#CC1=COC(=CF)CC1;VAGIGUJSSBMMGM-UHFFFAOYSA-N;139.13;2.02;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC5_SN0";;;;;;;1.94;;0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM453837;MM453837;N#CCC#CCNCCO;NSAGLBLGURBNRZ-UHFFFAOYSA-N;138.17;-0.51;;;;;DOPC;MDCG;27;1;"MARTINI bead: P3_N0";;;;;;;-0.8;;-4.14;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM453838;MM453838;CC1(C#N)COC(=N)N1;CVSBCARZWDOZTM-UHFFFAOYSA-N;125.13;-0.18;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP2_SP2";;;;;;;-1.34;;-4.31;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM453839;MM453839;C=CCC#CCOCCC;SCVYWDYHGLXHTJ-UHFFFAOYSA-N;138.21;1.99;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_C5";;;;;;;1.64;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM453840;MM453840;C=CC1=COC(=NO)CC1;QSOKPAOKCIPEFP-UHFFFAOYSA-N;139.15;1.65;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNda_SC5";;;;;;;1.64;;0.05;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM453841;MM453841;CCCOCC#CCC=O;KGCJHDTYPBOEGE-UHFFFAOYSA-N;140.18;1.01;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_C5";;;;;;;1.64;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM453842;MM453842;O=CC1=COC(=NO)CC1;PSEUTQVJPDKIRK-UHFFFAOYSA-N;141.13;0.67;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNda_SNa";;;;;;;0.87;;-1.99;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM453843;MM453843;CCCOCC#CCC#N;RRVWDCOJWYXDTM-UHFFFAOYSA-N;137.18;1.33;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_N0";;;;;;;1.17;;-1.18;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM453844;MM453844;N#CC1=COC(=NO)CC1;GMJHTCOWJSEXNS-UHFFFAOYSA-N;138.13;0.99;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNda_SN0";;;;;;;1.17;;-1.13;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM453845;MM453845;C=CCC#CCOCCN;AQQNSEOKYVCFHV-UHFFFAOYSA-N;139.2;0.54;;;;;DOPC;MDCG;27;1;"MARTINI bead: P2_C5";;;;;;;0.54;;-3.11;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM453846;MM453846;CN=C(NN)OC(C)=O;GOARPRULOJAFBO-UHFFFAOYSA-N;131.14;-1;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_Na";;;;;;;-0.24;;-3.24;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM453847;MM453847;C=CCC#CCOCCO;LHBKSLLPMMURCT-UHFFFAOYSA-N;140.18;0.57;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_C5";;;;;;;0.54;;-1.09;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM453848;MM453848;C=CC1=NOC(=NO)CC1;UTWKAYUXRJFKGH-UHFFFAOYSA-N;140.14;1.13;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNda_SN0";;;;;;;1.17;;-1.13;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM453849;MM453849;O=CC1=NOC(=NO)CC1;ZTARWCVVEYRWQE-UHFFFAOYSA-N;142.11;0.14;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNda_SNa";;;;;;;0.87;;-1.99;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM453850;MM453850;C=CCC#CCOCCF;MRPFTBVDRWJHLZ-UHFFFAOYSA-N;142.17;1.55;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_C5";;;;;;;1.64;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM453851;MM453851;N#CC1=NOC(=NO)CC1;MMXCMUOBJVIPNN-UHFFFAOYSA-N;139.11;0.46;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNda_SP1";;;;;;;0.04;;-2.73;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM453852;MM453852;O=CCC#CCOCCF;RHRBEAMACFIZOX-UHFFFAOYSA-N;144.15;0.56;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_Na";;;;;;;0.87;;-2.22;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM453853;MM453853;C=NOC(=N)NNCC;XOHCERDKTBQDQN-UHFFFAOYSA-N;130.15;-0.33;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_P1";;;;;;;-0.79;;-3.13;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM453854;MM453854;COCOCC#CCC#N;DEEZXYBQTASMDL-UHFFFAOYSA-N;139.15;0.52;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_N0";;;;;;;0.34;;-1.53;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM453855;MM453855;CNNC(=NOC)OC;ZZFAWOXWILDBLL-UHFFFAOYSA-N;133.15;-0.73;;;;;DOPC;MDCG;27;0;"MARTINI bead: P3_Na";;;;;;;-1.1;;-4.2;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM453856;MM453856;C#CCC#CCCCCC;PITHRTPWTQFONM-UHFFFAOYSA-N;134.22;2.59;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1_C3";;;;;;;4.61;;0.31;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM453857;MM453857;C=CC1=CCC(=NN)NC1;XCHUSTUJSKTPFR-UHFFFAOYSA-N;137.19;0.36;;;;;DOPC;MDCG;27;1;"MARTINI bead: SNd_SN0";;;;;;;1.17;;-2.2;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM453858;MM453858;C#CCC#CCCCCN;WALSRIUPHVCBQU-UHFFFAOYSA-N;135.21;1.14;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_C3";;;;;;;2.57;;-1.51;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM453859;MM453859;CNn1cc(C)c(N)n1;LPKMNXRIGUKFTK-UHFFFAOYSA-N;126.16;-0.05;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP1_SP1";;;;;;;-0.79;;-3.13;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM453860;MM453860;C=C(F)CC(=NN)C(C)C;NIUVRLSIZXOQJY-UHFFFAOYSA-N;144.19;1.83;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nd_C5";;;;;;;1.64;;0.02;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM453861;MM453861;C=CC1=CNC(=NC)NC1;VBTSAJQABHDSJF-UHFFFAOYSA-N;137.19;0.23;;;;;DOPC;MDCG;27;1;"MARTINI bead: SP1_SP2";;;;;;;-1.06;;-7.66;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM453862;MM453862;C#CCC#CCCCCF;HNJWXVWPPZFHMA-UHFFFAOYSA-N;138.19;2.15;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4_C3";;;;;;;3.9;;0.47;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM453863;MM453863;CN=C1NC=C(C=O)CN1;ZZEAYSUQHVMRDI-UHFFFAOYSA-N;139.16;-0.75;;;;;DOPC;MDCG;27;1;"MARTINI bead: SP1_SP3";;;;;;;-1.93;;-8.03;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM453864;MM453864;C#CCC#CCCCNC;OIEAGSKBHPDELM-UHFFFAOYSA-N;135.21;1.01;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_C3";;;;;;;2.57;;-1.8;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM453865;MM453865;CC#CC1CC(C)=NN1;SMDYMDHHNTYJDH-UHFFFAOYSA-N;122.17;0.75;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNd_SP1";;;;;;;0.04;;-2.63;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM453866;MM453866;C#CCC#CCCCOC;AZHNEGPVPVWPNX-UHFFFAOYSA-N;136.19;1.44;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_C3";;;;;;;2.57;;0.45;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM453867;MM453867;C=CC1=NNC(=NC)NC1;JVUIZQRXLQYNTE-UHFFFAOYSA-N;138.17;-0.29;;;;;DOPC;MDCG;27;1;"MARTINI bead: SP1_SP2";;;;;;;-1.06;;-5.29;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM453868;MM453868;C#CCC#CCCNCC;VLGSNTAXXYOCNA-UHFFFAOYSA-N;135.21;1.01;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_C3";;;;;;;2.57;;-1.36;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM453869;MM453869;CN=C1NCC(C=O)=NN1;MPAACNXMGYOIDP-UHFFFAOYSA-N;140.15;-1.28;;;;;DOPC;MDCG;27;1;"MARTINI bead: SP1_SP2";;;;;;;-1.06;;-5.09;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM453870;MM453870;C#CCC#CCCOCC;GJLZBVUUPMWYCF-UHFFFAOYSA-N;136.19;1.44;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_C3";;;;;;;2.57;;0.45;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM453871;MM453871;CCc1noc(C)c1N;ZJNDKSBHNLJXEN-UHFFFAOYSA-N;126.16;1.13;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC5_SNd";;;;;;;1.64;;0.02;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM453872;MM453872;C#CCC#CCNCCC;TZCRKKCDXIWZHV-UHFFFAOYSA-N;135.21;1.01;;;;;DOPC;MDCG;27;1;"MARTINI bead: C3_Nd";;;;;;;2.57;;-0.65;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM453873;MM453873;C#CCC#CCNCCN;NJLYIMVVUGDMAW-UHFFFAOYSA-N;136.2;-0.44;;;;;DOPC;MDCG;27;1;"MARTINI bead: P4_C3";;;;;;;0.52;;-3.55;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM453874;MM453874;C=CC(=O)C1CN1C=O;MDYIGFOHPMLKGF-UHFFFAOYSA-N;125.13;-0.42;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_SP2";;;;;;;-0.24;;-3.24;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM453875;MM453875;CNC(=NOC)C(C)(F)F;UMCOZQQCLMZWHK-UHFFFAOYSA-N;152.14;0.82;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_C5";;;;;;;0.54;;-1.09;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM453876;MM453876;C#CCC#CCOCCC;HDVBORIBNFIDJV-UHFFFAOYSA-N;136.19;1.44;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_C3";;;;;;;2.57;;0.45;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM453877;MM453877;CC(C)(F)C=NNCCF;YCHKOEVGHDJZQY-UHFFFAOYSA-N;150.17;1.28;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_P1";;;;;;;0.81;;-0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM453878;MM453878;C#CCC#CCOCCN;FUPSQXWMEJEVKB-UHFFFAOYSA-N;137.18;-0.01;;;;;DOPC;MDCG;27;1;"MARTINI bead: P3_C3";;;;;;;0.6;;-2.78;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM453879;MM453879;O=CC1=NNC(=NO)NO1;GYONEFMFGWHHTG-UHFFFAOYSA-N;144.09;-1.63;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP2_SP2";;;;;;;-1.34;;-4.31;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM453880;MM453880;C#CCC#CCOCCO;ZZTKCTKSCKKAFU-UHFFFAOYSA-N;138.17;0.02;;;;;DOPC;MDCG;27;0;"MARTINI bead: P3_C3";;;;;;;0.6;;-0.8;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM453881;MM453881;C=C(F)C(=N)NN(C)C=O;BCMOSVHZQHCIFB-UHFFFAOYSA-N;145.14;0.04;;;;;DOPC;MDCG;27;0;"MARTINI bead: P4_C5";;;;;;;-0.41;;-2.77;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM453882;MM453882;C#CCC#CCOCCF;WVEQXCBTXHNXNC-UHFFFAOYSA-N;140.16;1;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_N0";;;;;;;1.17;;-1.18;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM453883;MM453883;CC(C)=NOC(=O)C=CN;SMFFQXWWJSJFDH-UHFFFAOYSA-N;142.16;0.4;;;;;DOPC;MDCG;27;0;"MARTINI bead: N0_P1";;;;;;;0.34;;-1.53;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM453884;MM453884;C#CCC#CCOCOC;UWTMKBAUAXQZOB-UHFFFAOYSA-N;138.17;0.63;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_C3";;;;;;;1.46;;-0.15;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM453885;MM453885;C=CC1=CCC(=CF)OC1;TUKXFZWIHSHHHC-UHFFFAOYSA-N;140.16;2.33;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC5_SC5";;;;;;;2.41;;0.64;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM453886;MM453886;C=CCCCC#CCCC;RWDDFFYUIZOREL-UHFFFAOYSA-N;136.24;3.15;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1_C3";;;;;;;4.61;;0.31;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM453887;MM453887;O=CC1=CCC(=CF)OC1;OEDJWFAKSIOCAW-UHFFFAOYSA-N;142.13;1.34;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC5_SNa";;;;;;;1.64;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM453888;MM453888;C=CCCCC#CCCN;LOWCLZNLRCHOGE-UHFFFAOYSA-N;137.23;1.69;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_C3";;;;;;;2.57;;-1.17;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM453889;MM453889;CC(C#N)=NNCC(C)F;NXLUUDUHWBLPLZ-UHFFFAOYSA-N;143.17;0.83;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_P2";;;;;;;0.54;;-1.09;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM453890;MM453890;C=CCCCC#CCCO;QOIVKWOTYQLJRT-UHFFFAOYSA-N;138.21;1.73;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda_C1";;;;;;;2.91;;0.57;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM453891;MM453891;C=CC1=CCC(=NO)OC1;ZKUKPNMRJOACOY-UHFFFAOYSA-N;139.15;1.31;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNda_SC5";;;;;;;1.64;;0.05;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM453892;MM453892;CCCC#CCCCC=O;FIPNHVZTLJIQCQ-UHFFFAOYSA-N;138.21;2.16;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1_Na";;;;;;;2.91;;0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM453893;MM453893;CON=C(C#N)NC(C)C;VCBFNDGHLXGTNP-UHFFFAOYSA-N;141.17;0.47;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_Nd";;;;;;;0.87;;-1.88;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM453894;MM453894;CCCC#CCCCC#N;NPPHXBGZKSUBDB-UHFFFAOYSA-N;135.21;2.48;;;;;DOPC;MDCG;27;0;"MARTINI bead: C3_N0";;;;;;;2.87;;0.37;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM453895;MM453895;C=CC1=CNC(=NO)OC1;SNNQJSBWNDGATL-UHFFFAOYSA-N;140.14;0.42;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP1_SP1";;;;;;;-0.79;;-3.13;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM453896;MM453896;O=CCCCC#CCCO;CZBCMEMADCZFON-UHFFFAOYSA-N;140.18;0.74;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda_C5";;;;;;;1.64;;0.05;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM453897;MM453897;N#CC12CC(F)(C1)C(=N)N2;MFYQSQUIRQQICG-UHFFFAOYSA-N;139.13;0.33;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNda_SP1";;;;;;;0.04;;-2.73;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM453898;MM453898;C=CCCCC#CCNC;FHMJMUAJHBBOAA-UHFFFAOYSA-N;137.23;1.57;;;;;DOPC;MDCG;27;1;"MARTINI bead: P2_C1";;;;;;;1.8;;-0.65;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM453899;MM453899;C#CC1=CCC(=CC)CC1;KVBLXGATYYJMSA-UHFFFAOYSA-N;132.21;2.68;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC1_SC4";;;;;;;4.24;;0.42;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM453900;MM453900;CNCC#CCCCC#N;CYBKUSADDXOOOX-UHFFFAOYSA-N;136.2;0.9;;;;;DOPC;MDCG;27;1;"MARTINI bead: C5_P1";;;;;;;0.81;;-2.23;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM453901;MM453901;C#CC1=CCC(=CF)CC1;ULHQIIHXGQRVMY-UHFFFAOYSA-N;136.17;2.58;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC4_SC4";;;;;;;3.53;;0.53;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM453902;MM453902;COCC#CCCCC#N;OCYUQRFITNOZGL-UHFFFAOYSA-N;137.18;1.33;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_P1";;;;;;;0.81;;-0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM453903;MM453903;C#CC1=CCC(=NN)CC1;XYNXMUSNPJWYOE-UHFFFAOYSA-N;134.18;1.04;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNd_SC4";;;;;;;2.2;;0.32;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM453904;MM453904;N=CNCCC#CCCN;SFQPKVJRMVBMAN-UHFFFAOYSA-N;139.2;-0.07;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_P2";;;;;;;-0.24;;-7.36;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM453905;MM453905;C#CC1=CCC(=NO)CC1;XFFOIKJNXAMTHA-UHFFFAOYSA-N;135.17;1.56;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNda_SC4";;;;;;;2.2;;0.49;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM453906;MM453906;N=CNCCC#CCCO;QGIQFHZVJDKHEN-UHFFFAOYSA-N;140.19;-0.04;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nda_P2";;;;;;;-0.24;;-7.42;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM453907;MM453907;C#CC1=CNC(=NC)CC1;BYDKZJRCUICHPD-UHFFFAOYSA-N;134.18;0.92;;;;;DOPC;MDCG;27;1;"MARTINI bead: SNd_SP1";;;;;;;0.04;;-5.77;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM453908;MM453908;CNCC#CCCNC=N;YLMSFXMMNCFXNZ-UHFFFAOYSA-N;139.2;-0.2;;;;;DOPC;MDCG;27;1;"MARTINI bead: C5_P3";;;;;;;-0.33;;-5.94;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM453909;MM453909;CC=NNC1C(C)C1(F)F;KDYFDFXNRSTYGM-UHFFFAOYSA-N;148.16;1.24;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nd_SC5";;;;;;;1.64;;0.02;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM453910;MM453910;C=NNCCC#CCCF;ANTBKMRJBFFDMW-UHFFFAOYSA-N;142.18;0.94;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4_P2";;;;;;;1.09;;-0.38;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM453911;MM453911;CCC=NOC(=O)C=CN;MLGPVSZHDXXXJR-UHFFFAOYSA-N;142.16;0.4;;;;;DOPC;MDCG;27;0;"MARTINI bead: N0_P1";;;;;;;0.34;;-1.53;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM453912;MM453912;CCCC#CCCOC=O;FDPKXWQADLVAKC-UHFFFAOYSA-N;140.18;1.35;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1_P1";;;;;;;2.08;;0.48;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM453913;MM453913;CCOC(=NOC)NNC;VVDMXLJJVKONBX-UHFFFAOYSA-N;147.18;-0.34;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_P3";;;;;;;-0.33;;-2.01;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM453914;MM453914;COCC#CCCOC=O;ZSXIUYOAULRODR-UHFFFAOYSA-N;142.15;0.2;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_Na";;;;;;;0.87;;-2.22;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM453915;MM453915;C#CC1=NNC(=NO)CC1;UIJNICGOZPLOEB-UHFFFAOYSA-N;137.14;0.15;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP1_SP1";;;;;;;-0.79;;-3.13;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM453916;MM453916;CCCC#CCNCC#N;FHFMNBMHEHMYTF-UHFFFAOYSA-N;136.2;0.9;;;;;DOPC;MDCG;27;0;"MARTINI bead: C3_P2";;;;;;;1.46;;-0.15;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM453917;MM453917;C#CC1=COC(=CC)CC1;PRMKXOBSGYLVJF-UHFFFAOYSA-N;134.18;2.22;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC4_SN0";;;;;;;2.5;;0.44;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM453918;MM453918;N#CCNCC#CCCF;FWHPUZGYRCVZRK-UHFFFAOYSA-N;140.16;0.46;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_P2";;;;;;;-0.24;;-3.24;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM453919;MM453919;C#CC1=COC(=CF)CC1;UZOBPSROQYRYFI-UHFFFAOYSA-N;138.14;2.12;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC5_SN0";;;;;;;1.94;;0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM453920;MM453920;C=CCNCC#CCOC;XPKORGXMYPBMEL-UHFFFAOYSA-N;139.2;0.41;;;;;DOPC;MDCG;27;1;"MARTINI bead: Na_Nd";;;;;;;0.87;;-2.93;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM453921;MM453921;CN(C=O)CC(C=O)=CN;OFWNLZCBPDNKCT-UHFFFAOYSA-N;142.16;-0.88;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_P2";;;;;;;-1.34;;-4.31;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM453922;MM453922;N=CNNCC#CCCN;VHYNMWSZGNKXPE-UHFFFAOYSA-N;140.19;-0.96;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_P4";;;;;;;-1.19;;-7.69;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM453923;MM453923;C#CC1=COC(=NO)CC1;JAOWFEFTOHIASZ-UHFFFAOYSA-N;137.14;1.1;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNda_SN0";;;;;;;1.17;;-1.13;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM453924;MM453924;CNN=CCCCC(C)=O;KLOWGRBMNHFEPB-UHFFFAOYSA-N;142.2;0.95;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nd_Na";;;;;;;0.87;;-1.88;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM453925;MM453925;CC(=CF)N=C(CF)NN;CGAVFZHOWMVMTE-UHFFFAOYSA-N;149.14;0.65;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4_P2";;;;;;;1.09;;-0.37;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM453926;MM453926;CC(C=CF)=NNCC#N;VQCGGKRMFXQOHE-UHFFFAOYSA-N;141.15;0.96;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_P1";;;;;;;0.81;;-0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM453927;MM453927;C#CC1=NOC(=NO)CC1;IUBIDIYWUOXUPM-UHFFFAOYSA-N;138.13;0.57;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNda_SN0";;;;;;;1.17;;-1.13;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM453928;MM453928;CC#CC(C)=NNCC#N;MKRDFLCTHIAMQS-UHFFFAOYSA-N;135.17;0.5;;;;;DOPC;MDCG;27;0;"MARTINI bead: C3_P3";;;;;;;0.6;;-0.8;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM453929;MM453929;CCC1C=CC(CC)C=C1;MAJBEXLTJNRIQJ-UHFFFAOYSA-N;136.24;3.16;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC2_SC2";;;;;;;4.78;;0.59;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM453930;MM453930;C=CCOCC#CCCC;GYLILOLUVRMCBS-UHFFFAOYSA-N;138.21;1.99;;;;;DOPC;MDCG;27;0;"MARTINI bead: C3_Na";;;;;;;2.57;;0.45;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM453931;MM453931;CCC1C=CC(CN)C=C1;GJWWDWZCBBHSCL-UHFFFAOYSA-N;137.23;1.71;;;;;DOPC;MDCG;27;1;"MARTINI bead: SC2_SNd";;;;;;;2.83;;-0.69;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM453932;MM453932;C=CCOCC#CCCN;YMDNHNICVVZERH-UHFFFAOYSA-N;139.2;0.54;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_Na";;;;;;;0.87;;-4.31;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM453933;MM453933;C=C(F)CNC(C=O)CC;ZRTCJNMCAFLSKC-UHFFFAOYSA-N;145.18;1.04;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_C5";;;;;;;0.81;;-0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM453934;MM453934;C=CCOCC#CCCO;XWUKHFZIURYVGX-UHFFFAOYSA-N;140.18;0.57;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda_Na";;;;;;;0.87;;-1.99;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM453935;MM453935;NCC1C=CC(CN)C=C1;CCRJVOZKZSZJRZ-UHFFFAOYSA-N;138.21;0.26;;;;;DOPC;MDCG;27;1;"MARTINI bead: SNd_SNd";;;;;;;0.87;;-5.15;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM453936;MM453936;CCCC#CCOCC=O;YMJASRZHSISNGA-UHFFFAOYSA-N;140.18;1.01;;;;;DOPC;MDCG;27;0;"MARTINI bead: C3_P1";;;;;;;1.74;;0.29;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM453937;MM453937;NCC1C=CC(CO)C=C1;PDHAWQMLDVLDJM-UHFFFAOYSA-N;139.2;0.3;;;;;DOPC;MDCG;27;1;"MARTINI bead: SNd_SNda";;;;;;;0.87;;-4.66;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM453938;MM453938;CCCC#CCOCC#N;NDHYQRPUYBXORX-UHFFFAOYSA-N;137.18;1.33;;;;;DOPC;MDCG;27;0;"MARTINI bead: C3_P1";;;;;;;1.74;;0.29;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM453939;MM453939;NCC1C=CC(CF)C=C1;PQSYDHSIXPFOCY-UHFFFAOYSA-N;141.19;1.27;;;;;DOPC;MDCG;27;1;"MARTINI bead: SNd_SC4";;;;;;;2.2;;-2.16;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM453940;MM453940;CCCC#CCONC=N;GOZJVXKYGFCLIA-UHFFFAOYSA-N;140.19;0.92;;;;;DOPC;MDCG;27;1;"MARTINI bead: C3_P3";;;;;;;0.6;;-2.45;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM453941;MM453941;N=C(C=O)NC1(C=O)CC1;ZDGWDYZSGQENES-UHFFFAOYSA-N;140.14;-0.52;;;;;DOPC;MDCG;27;0;"MARTINI bead: P3_SNa";;;;;;;-1.1;;-4.2;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM453942;MM453942;N=CNOCC#CCCO;DBEIRSJIKBTYJQ-UHFFFAOYSA-N;142.16;-0.5;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nda_P3";;;;;;;-1.1;;-5.66;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM453943;MM453943;FCC1C=CC(CF)C=C1;IQOFWYSRFQJYPI-UHFFFAOYSA-N;144.16;2.28;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC4_SC4";;;;;;;3.53;;0.53;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM453944;MM453944;N=CNOCC#CCCF;LPHVXQVQWVRARC-UHFFFAOYSA-N;144.15;0.48;;;;;DOPC;MDCG;27;1;"MARTINI bead: C4_P4";;;;;;;0.15;;-3.83;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM453945;MM453945;CCC1C=CC(NC)C=C1;ZYNSZTGUKXNZKW-UHFFFAOYSA-N;137.23;1.73;;;;;DOPC;MDCG;27;1;"MARTINI bead: SC2_SNd";;;;;;;2.83;;0.21;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM453946;MM453946;CCCC#CCONC=O;BYLFMNAJOLQLIP-UHFFFAOYSA-N;141.17;0.47;;;;;DOPC;MDCG;27;0;"MARTINI bead: C3_P2";;;;;;;1.46;;-0.15;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM453947;MM453947;CNC1C=CC(CN)C=C1;ZYIXWTIFQMVFMO-UHFFFAOYSA-N;138.21;0.28;;;;;DOPC;MDCG;27;1;"MARTINI bead: SNd_SNd";;;;;;;0.87;;-4.89;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM453948;MM453948;CNCC#CCONC=N;SUCZWPVBBVVKRH-UHFFFAOYSA-N;141.17;-0.66;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_P4";;;;;;;-1.19;;-6.8;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM453949;MM453949;CNC1C=CC(CO)C=C1;KRENLSOYGFSJOQ-UHFFFAOYSA-N;139.2;0.31;;;;;DOPC;MDCG;27;1;"MARTINI bead: SNd_SNda";;;;;;;0.87;;-3.59;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM453950;MM453950;C=CCC#CCCCC=C;AMNKKHHHAMDQIQ-UHFFFAOYSA-N;134.22;2.92;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1_C5";;;;;;;3.68;;0.46;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM453951;MM453951;CCC1C=CC(OC)C=C1;ONBJVXUDZUHUNK-UHFFFAOYSA-N;138.21;2.15;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC2_SNa";;;;;;;2.83;;0.35;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM453952;MM453952;C=CCCCC#CCC=O;HEGDHBBGMWEPES-UHFFFAOYSA-N;136.19;1.94;;;;;DOPC;MDCG;27;0;"MARTINI bead: C3_C5";;;;;;;3.34;;0.48;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM453953;MM453953;COC1C=CC(CN)C=C1;CEYONHTZNLHBCV-UHFFFAOYSA-N;139.2;0.7;;;;;DOPC;MDCG;27;1;"MARTINI bead: SNa_SNd";;;;;;;0.87;;-4.62;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM453954;MM453954;C=CCCCC#CCC#N;HJWMYTOYDYRPRH-UHFFFAOYSA-N;133.19;2.26;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1_N0";;;;;;;3.21;;0.46;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM453955;MM453955;COC1C=CC(CF)C=C1;KDZCPKXWZDYMKW-UHFFFAOYSA-N;142.17;1.71;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNa_SC4";;;;;;;2.2;;0.34;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM453956;MM453956;N#CCCCC#CCC=O;IVSUIZSJPMJSFF-UHFFFAOYSA-N;135.17;1.27;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_P1";;;;;;;0.81;;-0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM453957;MM453957;CNC1C=CC(NC)C=C1;YFUCBGQXYHARPQ-UHFFFAOYSA-N;138.21;0.29;;;;;DOPC;MDCG;27;1;"MARTINI bead: SNd_SNd";;;;;;;0.87;;-4.08;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM453958;MM453958;N#CCC#CCCCC#N;YLHPRJFAUBBVIW-UHFFFAOYSA-N;132.17;1.6;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_N0";;;;;;;0.34;;-1.53;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM453959;MM453959;CNC1C=CC(OC)C=C1;FALJZXLMUNIVDL-UHFFFAOYSA-N;139.2;0.72;;;;;DOPC;MDCG;27;1;"MARTINI bead: SNd_SNa";;;;;;;0.87;;-3.54;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM453960;MM453960;C=CCC#CCCNC=N;ZTGUTPOVKDKKDU-UHFFFAOYSA-N;136.2;1.15;;;;;DOPC;MDCG;27;1;"MARTINI bead: C3_P3";;;;;;;0.6;;-4.67;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM453961;MM453961;COC1C=CC(OC)C=C1;DVQUFWCCWKGSIG-UHFFFAOYSA-N;140.18;1.14;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNa_SNa";;;;;;;0.87;;-2.22;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM453962;MM453962;N=CNCCC#CCC=O;GSKXPESEQXRLDO-UHFFFAOYSA-N;138.17;0.17;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1_Na";;;;;;;0.04;;-6.78;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM453963;MM453963;CCN1C=CC(CN)N=C1;NCWCSQNBSPNJKR-UHFFFAOYSA-N;139.2;0.19;;;;;DOPC;MDCG;27;1;"MARTINI bead: SNd_SP2";;;;;;;-0.24;;-4.67;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM453964;MM453964;C=CC(=CN)C(=O)C(=N)N;UJHOMJHRRFOVNT-UHFFFAOYSA-N;139.16;-0.48;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda_P3";;;;;;;-1.1;;-3.97;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM453965;MM453965;CCN1C=CC(CO)N=C1;CJOCKWRSPWGXQT-UHFFFAOYSA-N;140.19;0.22;;;;;DOPC;MDCG;27;1;"MARTINI bead: SNd_SP2";;;;;;;-0.24;;-4.31;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM453966;MM453966;N#CCC#CCCNC=O;VSJSDYHTLQNMFR-UHFFFAOYSA-N;136.15;0.04;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda_P1";;;;;;;0.04;;-2.73;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM453967;MM453967;CCN1C=CC(CF)N=C1;IEBLJNVYSRBLME-UHFFFAOYSA-N;142.18;1.2;;;;;DOPC;MDCG;27;1;"MARTINI bead: SNd_SP1";;;;;;;0.04;;-3.67;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM453968;MM453968;C=NOCC=C(C)C(C)=O;WGXNUGIGJVHAHA-UHFFFAOYSA-N;141.17;1.15;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_Na";;;;;;;0.87;;-2.22;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM453969;MM453969;C=CC1C=CC(CC)C=C1;FYCWQHRZLKVOAK-UHFFFAOYSA-N;134.22;2.94;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC2_SC3";;;;;;;4.53;;0.32;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM453970;MM453970;CCC1C=CC(C=O)C=C1;BWRAGTRWHYLELF-UHFFFAOYSA-N;136.19;1.95;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC2_SNa";;;;;;;2.83;;0.35;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM453971;MM453971;C=COC(=CC#N)NN=C;KQGXHTMURWVCJU-UHFFFAOYSA-N;137.14;0.72;;;;;DOPC;MDCG;27;0;"MARTINI bead: N0_Nda";;;;;;;1.17;;-1.13;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM453972;MM453972;CCC1C=CC(C#N)C=C1;BGHAJELXYNWARB-UHFFFAOYSA-N;133.19;2.28;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC2_SN0";;;;;;;3.13;;0.3;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM453973;MM453973;C=CCC#CCCOC=C;GDHXENKOZOCEGT-UHFFFAOYSA-N;136.19;2.12;;;;;DOPC;MDCG;27;0;"MARTINI bead: C3_Na";;;;;;;2.57;;0.45;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM453974;MM453974;C=CC1C=CC(CN)C=C1;YJNBBRSTFXCIMG-UHFFFAOYSA-N;135.21;1.49;;;;;DOPC;MDCG;27;1;"MARTINI bead: SNd_SC3";;;;;;;2.57;;-1.46;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM453975;MM453975;C=COCCC#CCC=O;WBAHUGJAHQJOCN-UHFFFAOYSA-N;138.17;1.13;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_C5";;;;;;;1.64;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM453976;MM453976;CCON=C(N)C(=O)OC;LQJNXVMAJZKJQP-UHFFFAOYSA-N;146.15;-0.53;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda_P1";;;;;;;0.04;;-2.73;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM453977;MM453977;C=CCC#CCCOC=O;PQOJXSUIZPLRCJ-UHFFFAOYSA-N;138.17;1.13;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_Na";;;;;;;1.64;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM453978;MM453978;CCNNC(=N)C(F)=CF;ADONHBYRZSGNSE-UHFFFAOYSA-N;149.14;0.86;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_Nda";;;;;;;0.04;;-2.73;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM453979;MM453979;N#CCC#CCCOC=O;QTCLJDRHPDNEFO-UHFFFAOYSA-N;137.14;0.47;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_N0";;;;;;;0.34;;-1.53;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM453980;MM453980;N=C(C=O)NNC=CN=O;JICXYKXBCWHRQM-UHFFFAOYSA-N;142.12;-0.51;;;;;DOPC;MDCG;27;0;"MARTINI bead: P3_N0";;;;;;;-0.8;;-2.99;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM453981;MM453981;C=CCC#CCCON=C;JZDHMYZIFUQBKZ-UHFFFAOYSA-N;137.18;1.59;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_Na";;;;;;;1.64;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM453982;MM453982;C=CC1C=CC(CF)C=C1;LGZWOKXCIFZSEI-UHFFFAOYSA-N;138.19;2.5;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC4_SC3";;;;;;;3.9;;0.47;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM453983;MM453983;Cc1nc(=O)c(N)cn1N;VROGTKWSZUDKFS-UHFFFAOYSA-N;140.15;-1.15;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP2_SP1";;;;;;;-1.06;;-3.82;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM453984;MM453984;O=CC1C=CC(CF)C=C1;YDMOWQNIUXXSFJ-UHFFFAOYSA-N;140.16;1.51;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC4_SNa";;;;;;;2.2;;0.34;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM453985;MM453985;CCC1(C)ON=C(NN)O1;RHSNVOZCAZKEJD-UHFFFAOYSA-N;145.16;-0.11;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNa_SP2";;;;;;;-0.24;;-3.24;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM453986;MM453986;C=CCC#CCNCC=C;VTMLVHWYLVBISZ-UHFFFAOYSA-N;135.21;1.34;;;;;DOPC;MDCG;27;1;"MARTINI bead: C4_Nd";;;;;;;2.2;;-0.56;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM453987;MM453987;CNC1C=CC(C#N)C=C1;ICWHPWZNZWQLTI-UHFFFAOYSA-N;134.18;0.84;;;;;DOPC;MDCG;27;1;"MARTINI bead: SNd_SN0";;;;;;;1.17;;-2.71;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM453988;MM453988;C=CCNCC#CCC=O;RAUSAQLLJKQECC-UHFFFAOYSA-N;137.18;0.35;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1_C5";;;;;;;0.81;;-1.5;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM453989;MM453989;COC1C=CC(C=O)C=C1;CVWFTGJXSHDMLQ-UHFFFAOYSA-N;138.17;0.94;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNa_SNa";;;;;;;0.87;;-2.22;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM453990;MM453990;C=CCNCC#CCC#N;UNRQTWUUJOVNEZ-UHFFFAOYSA-N;134.18;0.68;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1_N0";;;;;;;0.34;;-2.62;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM453991;MM453991;CCC1C=CN(C=N)C=C1;GEXRWQWWNHCGIU-UHFFFAOYSA-N;136.2;1.96;;;;;DOPC;MDCG;27;1;"MARTINI bead: SC5_SNd";;;;;;;1.64;;-3.17;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM453992;MM453992;C=CCC#CCNCC#N;CSJWHIPAXXQHEF-UHFFFAOYSA-N;134.18;0.68;;;;;DOPC;MDCG;27;0;"MARTINI bead: C3_P3";;;;;;;0.6;;-0.8;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM453993;MM453993;CCC1C=CN(C=O)C=C1;PKNFIVDKQSHKLI-UHFFFAOYSA-N;137.18;1.51;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC5_SNda";;;;;;;1.64;;0.05;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM453994;MM453994;C=CC1(C)ON=C(NN)O1;DUMNJLMUAWRYNN-UHFFFAOYSA-N;143.15;-0.33;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNa_SP2";;;;;;;-0.24;;-3.24;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM453995;MM453995;N=CN1C=CC(CN)C=C1;BBIBODIBQKSUND-UHFFFAOYSA-N;137.19;0.51;;;;;DOPC;MDCG;27;1;"MARTINI bead: SP2_SNd";;;;;;;-0.24;;-6.44;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM453996;MM453996;N=CNNCC#CCC=O;DPNSKMHASFPHNL-UHFFFAOYSA-N;139.16;-0.72;;;;;DOPC;MDCG;27;1;"MARTINI bead: P4_Na";;;;;;;-1.19;;-7.5;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM453997;MM453997;NCC1C=CN(C=O)C=C1;OYKYTVFJVNDQNQ-UHFFFAOYSA-N;138.17;0.06;;;;;DOPC;MDCG;27;1;"MARTINI bead: SP2_SNda";;;;;;;-0.24;;-5.73;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM453998;MM453998;N=CN1C=CC(CO)C=C1;XCMMUWYXEYBLDU-UHFFFAOYSA-N;138.17;0.54;;;;;DOPC;MDCG;27;1;"MARTINI bead: SP2_SNd";;;;;;;-0.24;;-6.36;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM453999;MM453999;N#CCC#CCNNC=N;KNZXCSWPXFKYHN-UHFFFAOYSA-N;136.16;-0.4;;;;;DOPC;MDCG;27;1;"MARTINI bead: P4_N0";;;;;;;-0.88;;-6.49;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM454000;MM454000;O=CN1C=CC(CO)C=C1;OEIYPSQEEROLKL-UHFFFAOYSA-N;139.15;0.09;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP2_SNda";;;;;;;-0.24;;-3.31;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM454001;MM454001;C=CC(=O)CCNCC#N;AIBGFVJKMOFYSY-UHFFFAOYSA-N;138.17;0.24;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_P2";;;;;;;-0.24;;-3.24;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM454002;MM454002;N=CN1C=CC(CF)C=C1;JBHDJMJDGWBMIB-UHFFFAOYSA-N;140.16;1.52;;;;;DOPC;MDCG;27;1;"MARTINI bead: SNa_SNd";;;;;;;0.87;;-5.11;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM454003;MM454003;CC#CCNNC(=N)C#N;PLXVAUJELBGHQP-UHFFFAOYSA-N;136.16;-0.4;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nd_P2";;;;;;;-0.24;;-3.16;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM454004;MM454004;C=CCC#CCOCC#N;CHTCNJBOBSXEIQ-UHFFFAOYSA-N;135.17;1.11;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_P1";;;;;;;0.81;;-0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM454005;MM454005;CNC1C=CN(C=N)C=C1;WCBDJZUAFZBSOZ-UHFFFAOYSA-N;137.19;0.52;;;;;DOPC;MDCG;27;1;"MARTINI bead: SP2_SNd";;;;;;;-0.24;;-6.16;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM454006;MM454006;CNC1C=CN(C=O)C=C1;DFSDKMHXWYLOJG-UHFFFAOYSA-N;138.17;0.07;;;;;DOPC;MDCG;27;1;"MARTINI bead: SP2_SNda";;;;;;;-0.24;;-4.65;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM454007;MM454007;N#CCOCC#CCC=O;HAJBCMCHVSMTPR-UHFFFAOYSA-N;137.14;0.12;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_Na";;;;;;;0.87;;-2.22;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM454008;MM454008;COC1C=CN(C=N)C=C1;TXRNTENXKJOTMV-UHFFFAOYSA-N;138.17;0.95;;;;;DOPC;MDCG;27;1;"MARTINI bead: SP1_SNd";;;;;;;0.04;;-5.44;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM454009;MM454009;N#CCC#CCOCC=O;NWJAIBXLONJUSF-UHFFFAOYSA-N;137.14;0.12;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_N0";;;;;;;0.34;;-1.53;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM454010;MM454010;COC1C=CN(C=O)C=C1;QSGOFCUGQVQANL-UHFFFAOYSA-N;139.15;0.5;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP1_SNda";;;;;;;0.04;;-2.73;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM454011;MM454011;C=CCC#CCONC=N;LOOGBMRUYTULIC-UHFFFAOYSA-N;138.17;0.69;;;;;DOPC;MDCG;27;1;"MARTINI bead: C3_P4";;;;;;;0.52;;-3.22;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM454012;MM454012;C=CCC#CCONC=O;POCIHRZNQPIYPZ-UHFFFAOYSA-N;139.15;0.24;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_P2";;;;;;;0.54;;-1.09;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM454013;MM454013;CCC(=O)C=NOCCF;FAGQGPYCXUHOQF-UHFFFAOYSA-N;147.15;0.94;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_Na";;;;;;;0.87;;-2.22;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM454014;MM454014;C#CCC#CCCCC=C;KUSIKKZKSONSMN-UHFFFAOYSA-N;132.21;2.37;;;;;DOPC;MDCG;27;0;"MARTINI bead: C3_C3";;;;;;;4.27;;0.2;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM454015;MM454015;C#CCON=CC(=O)CC;JVFUHMXPQRFCGN-UHFFFAOYSA-N;139.15;0.6;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_Na";;;;;;;0.87;;-2.22;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM454016;MM454016;C#CCC#CCCCC#N;KMPRCIGOMRRSMP-UHFFFAOYSA-N;131.18;1.71;;;;;DOPC;MDCG;27;0;"MARTINI bead: C3_P1";;;;;;;1.74;;0.29;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM454017;MM454017;NCC1C=CN(C=O)N=C1;QWQPNXHJONPUFH-UHFFFAOYSA-N;139.16;-0.47;;;;;DOPC;MDCG;27;1;"MARTINI bead: SP1_SP1";;;;;;;-0.79;;-5.23;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM454018;MM454018;C#CCC#CCCNC=N;PMQSTSRRPQZSLR-UHFFFAOYSA-N;134.18;0.6;;;;;DOPC;MDCG;27;1;"MARTINI bead: P3_C3";;;;;;;0.6;;-4.67;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM454019;MM454019;C=NNCC#CC(F)=CF;DYPWBQBFPOSHTO-UHFFFAOYSA-N;144.12;0.98;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_P1";;;;;;;0.81;;-0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM454020;MM454020;C#CCC#CCCNC=O;PUZWROYSODEFHH-UHFFFAOYSA-N;135.17;0.15;;;;;DOPC;MDCG;27;0;"MARTINI bead: P3_C3";;;;;;;0.6;;-0.8;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM454021;MM454021;C#CC(CC#N)NN=CC;RVGGWKKGIWYYDW-UHFFFAOYSA-N;135.17;0.5;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nd_N0";;;;;;;1.17;;-1.04;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM454022;MM454022;C#CCC#CCCNN=C;ZTSICCBDPPASEK-UHFFFAOYSA-N;134.18;0.61;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_C3";;;;;;;1.46;;-0.15;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM454023;MM454023;C=NN1CCC(=O)C(=C)C1;AIZWJPAOUQXPBN-UHFFFAOYSA-N;138.17;0.43;;;;;DOPC;MDCG;27;0;"MARTINI bead: SN0_SP2";;;;;;;0.06;;-2.21;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM454024;MM454024;C#CCC#CCCOC=C;GABMDAPYBNHWRT-UHFFFAOYSA-N;134.18;1.56;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_C3";;;;;;;2.57;;0.45;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM454025;MM454025;C=C1C(C#N)=NNC1CC;JZWWBAUVVUAGMS-UHFFFAOYSA-N;135.17;0.8;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNd_SP1";;;;;;;0.04;;-2.63;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM454026;MM454026;C#CCC#CCCOC=O;DEOZVZQAEYHUKY-UHFFFAOYSA-N;136.15;0.58;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_C3";;;;;;;1.74;;0.29;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM454027;MM454027;CCCN1CC1C(=O)CC;SUEGUYBQIFIPNY-UHFFFAOYSA-N;141.21;1.06;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNd_Na";;;;;;;0.87;;-1.88;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM454028;MM454028;C#CCC#CCCON=C;ZZWRFFNOYGZAKG-UHFFFAOYSA-N;135.17;1.04;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_C3";;;;;;;1.74;;0.29;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM454029;MM454029;O=CN1C=CC(CF)N=C1;XHGVGJCAXWJLHY-UHFFFAOYSA-N;142.13;0.34;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP1_SP1";;;;;;;-0.79;;-3.13;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM454030;MM454030;C#CCC#CCNCC#N;MEVQGHXCALAQED-UHFFFAOYSA-N;132.17;0.13;;;;;DOPC;MDCG;27;0;"MARTINI bead: C3_P3";;;;;;;0.6;;-0.8;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM454031;MM454031;CCN1C=CN(C=N)N=C1;BJULKHDWNXJVBV-UHFFFAOYSA-N;138.17;0.65;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP1_SP2";;;;;;;-1.06;;-3.82;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM454032;MM454032;C#CCC#CCOCC=C;DLNDXWZFMMJCFY-UHFFFAOYSA-N;134.18;1.22;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4_Na";;;;;;;2.2;;0.34;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM454033;MM454033;CCN1C=CN(C=O)N=C1;PPCVFEUBKFEUPT-UHFFFAOYSA-N;139.16;0.19;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP1_SP2";;;;;;;-1.06;;-3.82;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM454034;MM454034;C#CCC#CCOCC=O;CLDKBDOHIMGZKY-UHFFFAOYSA-N;136.15;0.23;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_C3";;;;;;;1.46;;-0.15;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM454035;MM454035;CNN1C=CN(C=N)N=C1;DFDLWYFBEIMABX-UHFFFAOYSA-N;139.16;-0.24;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP2_SP2";;;;;;;-1.34;;-4.31;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM454036;MM454036;C#CCC#CCOCC#N;YHSXCLDOUKEEPY-UHFFFAOYSA-N;133.15;0.55;;;;;DOPC;MDCG;27;0;"MARTINI bead: C3_P3";;;;;;;0.6;;-0.8;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM454037;MM454037;CNN1C=CN(C=O)N=C1;JWRCNQHHZGVAJH-UHFFFAOYSA-N;140.15;-0.69;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP2_SP2";;;;;;;-1.34;;-4.31;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM454038;MM454038;C#CCC#CCONC=N;RLNDXFHTDMMNNJ-UHFFFAOYSA-N;136.15;0.14;;;;;DOPC;MDCG;27;1;"MARTINI bead: P4_C3";;;;;;;0.52;;-3.22;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM454039;MM454039;C#CC1C=CC(CC)C=C1;JNEHPCYFDVNESI-UHFFFAOYSA-N;132.21;2.39;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC2_SC5";;;;;;;3.6;;0.34;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM454040;MM454040;C#CCC#CCONC=O;LPUHBYDREDXBAL-UHFFFAOYSA-N;137.14;-0.31;;;;;DOPC;MDCG;27;0;"MARTINI bead: P4_C3";;;;;;;0.52;;-1.59;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM454041;MM454041;C#CC=NNCC#CC=O;SSSOVRAEMGZZSY-UHFFFAOYSA-N;134.14;-0.6;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_P1";;;;;;;0.81;;-0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM454042;MM454042;C#CCCCC#CCCC;JPJZETRBQURDQU-UHFFFAOYSA-N;134.22;2.59;;;;;DOPC;MDCG;27;0;"MARTINI bead: C3_C3";;;;;;;4.27;;0.2;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM454043;MM454043;C#CC1C=CC(NC)C=C1;DOFKJWRVIBIZAF-UHFFFAOYSA-N;133.19;0.95;;;;;DOPC;MDCG;27;1;"MARTINI bead: SNd_SC5";;;;;;;1.64;;-1.57;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM454044;MM454044;C#CCNCC#CCNC;LALSOQWPGQBYPQ-UHFFFAOYSA-N;136.2;-0.57;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1_N0";;;;;;;0.34;;-3.25;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM454045;MM454045;C=CC1C=CC(C=C)C=C1;UPMGMNDMDJQTTN-UHFFFAOYSA-N;132.21;2.72;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC3_SC3";;;;;;;4.27;;0.2;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM454046;MM454046;C=CC1C=CN(C=N)C=C1;XNYZFPLKUGRATB-UHFFFAOYSA-N;134.18;1.74;;;;;DOPC;MDCG;27;1;"MARTINI bead: SN0_SNd";;;;;;;1.17;;-4.24;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM454047;MM454047;C#CCOCC#CCCC;QENNVWQAWGYMLY-UHFFFAOYSA-N;136.19;1.44;;;;;DOPC;MDCG;27;0;"MARTINI bead: C3_Na";;;;;;;2.57;;0.45;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM454048;MM454048;C#CCOCC#CCCN;QRMVJQYEVJZMOX-UHFFFAOYSA-N;137.18;-0.01;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_Na";;;;;;;0.87;;-4.31;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM454049;MM454049;C=CC1C=CN(C=O)C=C1;SBPFOQVTPOTGDU-UHFFFAOYSA-N;135.17;1.29;;;;;DOPC;MDCG;27;0;"MARTINI bead: SN0_SNda";;;;;;;1.17;;-1.13;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM454050;MM454050;C#CCOCC#CCCO;AELUAOPPMNSMTC-UHFFFAOYSA-N;138.17;0.02;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda_Na";;;;;;;0.87;;-1.99;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM454051;MM454051;N=CN1C=CC(C=O)C=C1;WVNCUBBFGJOOGB-UHFFFAOYSA-N;136.15;0.75;;;;;DOPC;MDCG;27;1;"MARTINI bead: SNd_SP2";;;;;;;-0.24;;-6.29;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM454052;MM454052;C#CCCCC#CCC=C;IVTSDOOPXQRXLX-UHFFFAOYSA-N;132.21;2.37;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_C3";;;;;;;3.34;;0.48;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM454053;MM454053;O=CC1C=CN(C=O)C=C1;BCSKINYXJSFXCY-UHFFFAOYSA-N;137.14;0.3;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP2_SNda";;;;;;;-0.24;;-3.31;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM454054;MM454054;C#CCCCC#CCC#N;ZSTZZDXPTQPORV-UHFFFAOYSA-N;131.18;1.71;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_N0";;;;;;;1.94;;0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM454055;MM454055;C#CC#CCNN=CC#C;AIKMLGZMBCSOTD-UHFFFAOYSA-N;130.15;-0.17;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_C4";;;;;;;1.37;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM454056;MM454056;CN=c1c(N)cnnn1N;KUMZEEKDCGLFOJ-UHFFFAOYSA-N;140.15;-1.9;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP2_SP2";;;;;;;-1.34;;-4.31;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM454057;MM454057;C#CCOCC#CCC=C;PUOCVVWZNVMALW-UHFFFAOYSA-N;134.18;1.22;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_Na";;;;;;;1.64;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM454058;MM454058;N=C1NOCC1F;MOTAUFSTQBYXMI-UHFFFAOYSA-N;104.08;-0.16;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP2_SP2";;;;;;;-1.34;;-4.31;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM454059;MM454059;C#CCOCC#CCC=O;JWMQAGZLYAEWMJ-UHFFFAOYSA-N;136.15;0.23;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_Na";;;;;;;0.87;;-2.22;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM454060;MM454060;N=CN1C=CN(C=N)C=C1;CIJMRYGFRGNWQB-UHFFFAOYSA-N;136.16;0.76;;;;;DOPC;MDCG;27;1;"MARTINI bead: SP2_SP2";;;;;;;-1.34;;-6.97;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM454061;MM454061;C#CCOCC#CCC#N;OYEQBZPAJCMLBH-UHFFFAOYSA-N;133.15;0.55;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_N0";;;;;;;1.17;;-1.18;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM454062;MM454062;N=CN1C=CN(C=O)C=C1;YSRNCFFQYTXKSX-UHFFFAOYSA-N;137.14;0.31;;;;;DOPC;MDCG;27;1;"MARTINI bead: SP2_SP2";;;;;;;-1.34;;-6.59;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM454063;MM454063;C#CCC#CCCCC#C;ZWMCVEXEKRFYIX-UHFFFAOYSA-N;130.19;1.82;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_C3";;;;;;;3.34;;0.48;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM454064;MM454064;O=CN1C=CN(C=O)C=C1;SSAWRUKOFOJVJE-UHFFFAOYSA-N;138.13;-0.14;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP2_SP2";;;;;;;-1.34;;-4.31;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM454065;MM454065;C#CCC#CCOCC#C;KVVQBBNJJHPDLH-UHFFFAOYSA-N;132.16;0.66;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_N0";;;;;;;1.17;;-1.18;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM454066;MM454066;C=CN1C=CN(C=O)N=C1;GSDULVIFXCACNF-UHFFFAOYSA-N;137.14;0.32;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP1_SP2";;;;;;;-1.06;;-3.82;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM454067;MM454067;CC=CC#CCCCCC;OKGDXRVAVBPWFL-UHFFFAOYSA-N;136.24;3.15;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1_C1";;;;;;;4.95;;0.69;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM454068;MM454068;C=NN1C=CN(C=N)N=C1;JXERPIWHXRKSLF-UHFFFAOYSA-N;137.15;0.24;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP1_SP2";;;;;;;-1.06;;-3.82;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM454069;MM454069;CCCCCC#CC=CF;HZTWKJKTPUBIBO-UHFFFAOYSA-N;140.2;3.05;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1_C4";;;;;;;4.24;;0.42;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM454070;MM454070;C=NN1C=CN(C=O)N=C1;NEMMWDWPRFDWHK-UHFFFAOYSA-N;138.13;-0.21;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP1_SP2";;;;;;;-1.06;;-3.82;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM454071;MM454071;CC=CC#CCCCCN;DJMVLBTUWMVFED-UHFFFAOYSA-N;137.23;1.69;;;;;DOPC;MDCG;27;1;"MARTINI bead: C4_Nd";;;;;;;2.2;;-2.21;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM454072;MM454072;C=NNC(C)C(F)F;PGSUOXJKRHNGHJ-UHFFFAOYSA-N;122.12;0.85;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nd_N0";;;;;;;1.17;;-1.04;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM454073;MM454073;CC=CC#CCCCCO;WFQJUGOWXRWDGO-UHFFFAOYSA-N;138.21;1.73;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1_Nda";;;;;;;2.91;;0.57;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM454074;MM454074;CC=C1C=CC(CC)C=C1;MMTYVXNDWDNNEE-UHFFFAOYSA-N;134.22;3.08;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC2_SC3";;;;;;;4.53;;0.32;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM454075;MM454075;OCCCCC#CC=CF;QZTXDVDHAAXVBI-UHFFFAOYSA-N;142.17;1.64;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda_C5";;;;;;;1.64;;0.05;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM454076;MM454076;CCC1C=CC(=CF)C=C1;KGWFVITWVFEJGV-UHFFFAOYSA-N;138.19;2.99;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC2_SC4";;;;;;;4.16;;0.44;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM454077;MM454077;CCCCCC#CC=NN;NQYOIBPLURZAQA-UHFFFAOYSA-N;138.21;1.51;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1_P1";;;;;;;2.08;;0.48;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM454078;MM454078;CC=C1C=CC(CN)C=C1;UYOWGEPDQUWPHF-UHFFFAOYSA-N;135.21;1.63;;;;;DOPC;MDCG;27;1;"MARTINI bead: SC3_SNd";;;;;;;2.57;;-1.45;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM454079;MM454079;CCCCCC#CC=NO;FDDFPYHAGRWAIP-UHFFFAOYSA-N;139.2;2.03;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1_P1";;;;;;;2.08;;0.48;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM454080;MM454080;NCC1C=CC(=CF)C=C1;FUSTWWFJVUBMJI-UHFFFAOYSA-N;139.17;1.54;;;;;DOPC;MDCG;27;1;"MARTINI bead: SNd_SC4";;;;;;;2.2;;-2.15;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM454081;MM454081;C#CC(=C)C=NNCC#N;UGASYAFRCAHKMT-UHFFFAOYSA-N;133.15;0.27;;;;;DOPC;MDCG;27;0;"MARTINI bead: N0_P1";;;;;;;0.34;;-1.53;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM454082;MM454082;Nc1ccn(C=O)n1;KYEJIXJRQUOHJX-UHFFFAOYSA-N;111.1;-0.5;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP1_SP1";;;;;;;-0.79;;-3.13;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM454083;MM454083;NN=CC#CCCCCF;BQUQTMBMWFSXFW-UHFFFAOYSA-N;142.18;1.07;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nd_C4";;;;;;;2.2;;0.32;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM454084;MM454084;C#CC1CC(C)=NN1;HUWYHYXOEHBBRR-UHFFFAOYSA-N;108.14;0.36;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP1_SP1";;;;;;;-0.79;;-3.13;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM454085;MM454085;CC=CC#CCCCNC;LPTLUKPSBQUGND-UHFFFAOYSA-N;137.23;1.57;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_C1";;;;;;;2.91;;-0.82;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM454086;MM454086;CC=C1C=CC(CF)C=C1;WYADBXMBJTVLJY-UHFFFAOYSA-N;138.19;2.64;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC3_SC4";;;;;;;3.9;;0.47;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM454087;MM454087;CC=CC#CCCCOC;SYHMDFHQBYXVJW-UHFFFAOYSA-N;138.21;1.99;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_C1";;;;;;;2.91;;0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM454088;MM454088;CC(=NN(C)C)C(F)F;KSSBIKNQWZCBER-UHFFFAOYSA-N;136.15;1.19;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_C5";;;;;;;0.54;;-1.09;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM454089;MM454089;COCCCC#CC=NN;LYERSOKONXNSOB-UHFFFAOYSA-N;140.19;0.36;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_Nd";;;;;;;0.87;;-1.88;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM454090;MM454090;C=NNCC#CC(=C)F;RDXUVEIUKRKUFO-UHFFFAOYSA-N;126.13;0.68;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_P1";;;;;;;0.81;;-0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM454091;MM454091;CC=CC#CCCNCC;RSMZVFDBGJZIAI-UHFFFAOYSA-N;137.23;1.57;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_C1";;;;;;;2.91;;-0.36;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM454092;MM454092;NNc1ccc(CF)cc1;UICBSAVRFYGWHJ-UHFFFAOYSA-N;140.16;1.44;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNd_SC4";;;;;;;2.2;;0.32;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM454093;MM454093;CC=CC#CCCOCC;WYWMBEDURHZKIR-UHFFFAOYSA-N;138.21;1.99;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_C1";;;;;;;2.91;;0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM454094;MM454094;CN=C1NC(=CF)CO1;DVZZMLOWAZLYAS-UHFFFAOYSA-N;130.12;0.4;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP1_SP1";;;;;;;-0.79;;-3.13;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM454095;MM454095;CCOCCC#CC=CF;RLOKKSCCXRXIMF-UHFFFAOYSA-N;142.17;1.9;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_C5";;;;;;;2.41;;0.64;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM454096;MM454096;CCOCCC#CC=NN;FYUDMCJJVSDMPQ-UHFFFAOYSA-N;140.19;0.36;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_Nd";;;;;;;0.87;;-1.88;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM454097;MM454097;CC=C1C=CC(NC)C=C1;CBZNDXMLKNKDRC-UHFFFAOYSA-N;135.21;1.65;;;;;DOPC;MDCG;27;1;"MARTINI bead: SNd_SC3";;;;;;;2.57;;-0.45;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM454098;MM454098;CCOCCC#CC=NO;CORIZNVCSSZJHI-UHFFFAOYSA-N;141.17;0.88;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_P1";;;;;;;0.81;;-0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM454099;MM454099;CNC1C=CC(=CF)C=C1;AOXVZVVMAPYIQM-UHFFFAOYSA-N;139.17;1.55;;;;;DOPC;MDCG;27;1;"MARTINI bead: SNd_SC4";;;;;;;2.2;;-1.12;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM454100;MM454100;CC=CC#CCNCCC;ZXYWIUMURUSJJL-UHFFFAOYSA-N;137.23;1.57;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_C1";;;;;;;2.91;;0.2;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM454101;MM454101;CNc1ccc(NN)cc1;UJBZLHDBXCSQPN-UHFFFAOYSA-N;137.19;1.01;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC5_SNd";;;;;;;1.64;;0.03;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM454102;MM454102;NCCNCC#CC=NO;HBDCFPNGMQALKB-UHFFFAOYSA-N;141.17;-1;;;;;DOPC;MDCG;27;1;"MARTINI bead: P4_Nda";;;;;;;-1.19;;-6.73;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM454103;MM454103;CC=C1C=CC(OC)C=C1;VMTZGHRECCLJFP-UHFFFAOYSA-N;136.19;2.07;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNa_SC3";;;;;;;2.57;;0.45;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM454104;MM454104;CC=CC#CCOCCC;YRXAEDIZQXMKEL-UHFFFAOYSA-N;138.21;1.99;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_C4";;;;;;;2.2;;0.34;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM454105;MM454105;COC1C=CC(=CF)C=C1;DFHCWKQRYUHCIW-UHFFFAOYSA-N;140.16;1.98;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNa_SC4";;;;;;;2.2;;0.34;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM454106;MM454106;CC=CC#CCOCCN;VGPFHUXGLSOUOJ-UHFFFAOYSA-N;139.2;0.54;;;;;DOPC;MDCG;27;1;"MARTINI bead: C4_P2";;;;;;;1.09;;-2.37;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM454107;MM454107;COc1ccc(NN)cc1;PVRSIFAEUCUJPK-UHFFFAOYSA-N;138.17;0.98;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC5_SNd";;;;;;;1.64;;0.02;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM454108;MM454108;CC=CC#CCOCCO;OSLWDCYLZMESMD-UHFFFAOYSA-N;140.18;0.57;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4_P2";;;;;;;1.09;;-0.38;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM454109;MM454109;CCC(=O)C1C(C)N1C;DJERHZRLMDYXST-UHFFFAOYSA-N;127.19;0.67;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_SNd";;;;;;;0.87;;-1.88;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM454110;MM454110;CC=CC#CCOCCF;IZDLIQSKRRCVAY-UHFFFAOYSA-N;142.17;1.55;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4_Na";;;;;;;2.2;;0.34;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM454111;MM454111;CC=NNCC#CC#N;LPGALKVAZUKBQB-UHFFFAOYSA-N;121.14;0.11;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nd_N0";;;;;;;1.17;;-1.04;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM454112;MM454112;CCCOCC#CC=NN;CXHXZONRKQYRQT-UHFFFAOYSA-N;140.19;0.36;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_Nd";;;;;;;0.87;;-1.88;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM454113;MM454113;COn1ccc(=NO)cn1;KKLYTURQOUTGSW-UHFFFAOYSA-N;141.13;-0.77;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNa_SP3";;;;;;;-1.1;;-4.2;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM454114;MM454114;CCCOCC#CC=NO;GDUUCLGEJMJXSG-UHFFFAOYSA-N;141.17;0.88;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_Nda";;;;;;;0.87;;-1.99;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM454115;MM454115;C=CC1C=CC(=CC)C=C1;HJPMEYNGECLNFF-UHFFFAOYSA-N;132.21;2.86;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC3_SC3";;;;;;;4.27;;0.2;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM454116;MM454116;OCCOCC#CC=NO;ZROWXYIETUAXRD-UHFFFAOYSA-N;143.14;-0.54;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_P1";;;;;;;-0.79;;-3.13;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM454117;MM454117;C=CC1C=CC(=CF)C=C1;UXTLTBSAZOKXRK-UHFFFAOYSA-N;136.17;2.77;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC4_SC3";;;;;;;3.9;;0.47;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM454118;MM454118;NN=CC#CCOCCF;UVMLNWHSKKEGJH-UHFFFAOYSA-N;144.15;-0.08;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_C5";;;;;;;0.54;;-1.09;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM454119;MM454119;CC=C1C=CC(C=O)C=C1;WSJAOLHRYODVIE-UHFFFAOYSA-N;134.18;1.87;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC3_SNa";;;;;;;2.57;;0.45;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM454120;MM454120;C=CCCCC#CC=CC;JYGLOFITKMGJPC-UHFFFAOYSA-N;134.22;2.92;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1_C3";;;;;;;4.61;;0.31;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM454121;MM454121;O=CC1C=CC(=CF)C=C1;RHHNKHZPZFJGDM-UHFFFAOYSA-N;138.14;1.78;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC4_SNa";;;;;;;2.2;;0.34;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM454122;MM454122;CC=CC#CCCCC#N;VCFDFEJLIUBSND-UHFFFAOYSA-N;133.19;2.26;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1_P1";;;;;;;2.08;;0.48;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM454123;MM454123;C=Cc1ccc(NN)cc1;DLDLTEWJHHPCET-UHFFFAOYSA-N;134.18;1.62;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNd_SC4";;;;;;;2.2;;0.32;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM454124;MM454124;CC=CC#CCCNC=N;VWVPPOBPWHJVNI-UHFFFAOYSA-N;136.2;1.15;;;;;DOPC;MDCG;27;1;"MARTINI bead: C1_P3";;;;;;;0.94;;-3.76;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM454125;MM454125;CON=C(CN(C)C)NN;MZXKYXOMVOAVMM-UHFFFAOYSA-N;146.19;-1.03;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_P1";;;;;;;-0.79;;-3.13;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM454126;MM454126;Cc1c(N)c(=O)ncn1N;PMLDPPPPURDSSD-UHFFFAOYSA-N;140.15;-1.15;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNd_SP3";;;;;;;-1.1;;-3.93;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM454127;MM454127;COC(C(=O)O)=C(F)F;UPMJJOCZSXGQSN-UHFFFAOYSA-N;138.07;0.83;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_P1";;;;;;;0.81;;-6.28;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM454128;MM454128;C#CC(C=O)NCCC#N;HNWXICCRMCHKMW-UHFFFAOYSA-N;136.15;-0.31;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_P2";;;;;;;-0.24;;-3.24;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM454129;MM454129;CC=C1C=CN(C=N)C=C1;NRZNQMWHAQAEDP-UHFFFAOYSA-N;134.18;1.88;;;;;DOPC;MDCG;27;1;"MARTINI bead: SN0_SNd";;;;;;;1.17;;-3.81;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM454130;MM454130;O=CNCCC#CC=NO;QJOYLUDTYFPBQY-UHFFFAOYSA-N;140.14;-0.41;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_P3";;;;;;;-0.33;;-2.01;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM454131;MM454131;N=CN1C=CC(=CF)C=C1;ZJLTWDLPNNWSTR-UHFFFAOYSA-N;138.15;1.79;;;;;DOPC;MDCG;27;1;"MARTINI bead: SNa_SNd";;;;;;;0.87;;-4.51;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM454132;MM454132;C=NNCCC#CC=CC;UGVYGVJKDFTOEV-UHFFFAOYSA-N;136.2;1.16;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1_P2";;;;;;;1.8;;0.4;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM454133;MM454133;CC=C1C=CN(C=O)C=C1;LPYJEAINPPGWHP-UHFFFAOYSA-N;135.17;1.43;;;;;DOPC;MDCG;27;0;"MARTINI bead: SN0_SNda";;;;;;;1.17;;-1.13;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM454134;MM454134;C=COCCC#CC=CC;MBDLHCMEAWOAPL-UHFFFAOYSA-N;136.19;2.12;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1_Na";;;;;;;2.91;;0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM454135;MM454135;O=CN1C=CC(=CF)C=C1;KTMGKACMZYJSIL-UHFFFAOYSA-N;139.13;1.34;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNa_SNda";;;;;;;0.87;;-1.99;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM454136;MM454136;CC=CC#CCCOC=O;PSPAQPGUVYPMMT-UHFFFAOYSA-N;138.17;1.13;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1_P1";;;;;;;2.08;;0.48;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM454137;MM454137;CC=C1C=CN(C=N)N=C1;WXOPCOUSSJZSPH-UHFFFAOYSA-N;135.17;1.35;;;;;DOPC;MDCG;27;0;"MARTINI bead: SN0_SP1";;;;;;;0.34;;-1.53;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM454138;MM454138;C=NOCCC#CC=CC;WIHFQNLIAQAGPC-UHFFFAOYSA-N;137.18;1.59;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1_P1";;;;;;;2.08;;0.48;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM454139;MM454139;N=CC1=CNN(C=N)C=C1;VXPMZXRLCFXPBI-UHFFFAOYSA-N;136.16;0.46;;;;;DOPC;MDCG;27;1;"MARTINI bead: SP2_SP2";;;;;;;-1.34;;-6.01;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM454140;MM454140;C=CCNCC#CC=CC;AQGRUYHHWXJJNE-UHFFFAOYSA-N;135.21;1.34;;;;;DOPC;MDCG;27;1;"MARTINI bead: C4_Nd";;;;;;;2.2;;-0.5;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM454141;MM454141;CC=CC#CCNNC=N;DINQBFOXVLCBPL-UHFFFAOYSA-N;137.19;0.27;;;;;DOPC;MDCG;27;1;"MARTINI bead: C4_P4";;;;;;;0.15;;-4.89;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM454142;MM454142;CC=C1C=CN(C=O)N=C1;CVVRIUWRZGEGEJ-UHFFFAOYSA-N;136.15;0.9;;;;;DOPC;MDCG;27;0;"MARTINI bead: SN0_SP1";;;;;;;0.34;;-1.53;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM454143;MM454143;N=CNNCC#CC=CF;JJJFSJJJUNDUCC-UHFFFAOYSA-N;141.15;0.17;;;;;DOPC;MDCG;27;1;"MARTINI bead: C5_P4";;;;;;;-0.41;;-5.53;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM454144;MM454144;NC=C1C=CN(C=O)N=C1;LCKDXFUXMGXMJT-UHFFFAOYSA-N;137.14;-0.2;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP1_SP1";;;;;;;-0.79;;-3.13;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM454145;MM454145;C=CC(=O)CC1CN1N=C;FJKBITVDVZSJRH-UHFFFAOYSA-N;138.17;0.43;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_SP2";;;;;;;-0.24;;-3.24;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM454146;MM454146;CON=C(C=C(C)F)NN;ZSNWJSOWNQQRFM-UHFFFAOYSA-N;147.15;0.28;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_C5";;;;;;;0.81;;-0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM454147;MM454147;C=CCOCC#CC=CC;JPODYLZWMMMKAI-UHFFFAOYSA-N;136.19;1.77;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4_Na";;;;;;;2.2;;0.34;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM454148;MM454148;C=Nn1ccc(=NO)cn1;LFRFUQWXSUONNC-UHFFFAOYSA-N;138.13;-0.36;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP3_SNa";;;;;;;-1.1;;-4.2;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM454149;MM454149;CC=CC#CCOCC=O;SNONGDQLOSRKBV-UHFFFAOYSA-N;138.17;0.78;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4_P1";;;;;;;1.37;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM454150;MM454150;NN=C1C=CC(=CF)C=C1;LONFGCQAEHKSBO-UHFFFAOYSA-N;138.15;1.28;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC5_SC4";;;;;;;2.97;;0.45;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM454151;MM454151;CC=CC#CCOCC#N;MKOUKPZCCOUYDV-UHFFFAOYSA-N;135.17;1.11;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4_P1";;;;;;;1.37;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM454152;MM454152;ON=C1C=CC(=CF)C=C1;JUJJFQOXSOBGJB-UHFFFAOYSA-N;139.13;1.8;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNda_SC4";;;;;;;2.2;;0.5;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM454153;MM454153;NN=C1C=CC(=NO)C=C1;UKKAPOHCVUUVDO-UHFFFAOYSA-N;137.14;0.26;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC5_SNda";;;;;;;1.64;;0.05;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM454154;MM454154;N#CCOCC#CC=NO;QHUXUAJEQHZHJY-UHFFFAOYSA-N;138.13;-0.01;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_Na";;;;;;;0.04;;-2.54;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM454155;MM454155;NNc1ccc(N=O)nc1;PWICDBGWNUGNPI-UHFFFAOYSA-N;138.13;0.77;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNd_SNa";;;;;;;0.87;;-1.88;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM454156;MM454156;CC=CC#CCONC=N;FHDBRXARUZNQRM-UHFFFAOYSA-N;138.17;0.69;;;;;DOPC;MDCG;27;1;"MARTINI bead: C1_P4";;;;;;;0.85;;-2.23;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM454157;MM454157;CN=C1N=CC(=CF)C=N1;IRQSFCXDBJOZLX-UHFFFAOYSA-N;139.13;0.98;;;;;DOPC;MDCG;27;0;"MARTINI bead: SN0_SNa";;;;;;;1.17;;-1.18;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM454158;MM454158;CC=CC#CCONC=O;ZQTAHOGAKALWPX-UHFFFAOYSA-N;139.15;0.24;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4_P2";;;;;;;1.09;;-0.37;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM454159;MM454159;C=NNCCC(=O)CCC;FFSXXTVDIYMULC-UHFFFAOYSA-N;142.2;0.95;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4_P1";;;;;;;1.37;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM454160;MM454160;O=CNOCC#CC=CF;YKYBWOJFDSRMIJ-UHFFFAOYSA-N;143.12;0.15;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_P2";;;;;;;0.54;;-1.09;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM454161;MM454161;NN=C1N=CC(=NO)C=N1;GKWDRHFTNXFEOV-UHFFFAOYSA-N;139.12;-0.8;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP1_SP1";;;;;;;-0.79;;-3.13;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM454162;MM454162;C#CCCCC#CC=CC;HDEYSWAUFNSNAB-UHFFFAOYSA-N;132.21;2.37;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1_N0";;;;;;;3.21;;0.46;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM454163;MM454163;CN=C1C=NC(=NC)C=N1;PULJDWLUGAFPAW-UHFFFAOYSA-N;136.16;0.2;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP1_SP1";;;;;;;-0.79;;-3.13;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM454164;MM454164;C#CCOCC#CC=CC;KAPVHWCCAZWZBF-UHFFFAOYSA-N;134.18;1.22;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4_Na";;;;;;;2.2;;0.34;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM454165;MM454165;CCC1=CCC(CN)C=C1;JPVRVSVYGYRVLV-UHFFFAOYSA-N;137.23;1.86;;;;;DOPC;MDCG;27;1;"MARTINI bead: SC2_SNd";;;;;;;2.83;;-0.71;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM454166;MM454166;CC#CC#CCCCCC;UEEXQEFLZFIDOX-UHFFFAOYSA-N;134.22;2.59;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1_C1";;;;;;;4.95;;0.69;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM454167;MM454167;CCCC(F)C=NOC=O;FFYPLZFDRQREFW-UHFFFAOYSA-N;147.15;1.28;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4_P1";;;;;;;1.37;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM454168;MM454168;CC#CC#CCCCCN;PPZAOBDQJWFVMW-UHFFFAOYSA-N;135.21;1.14;;;;;DOPC;MDCG;27;1;"MARTINI bead: C1_P1";;;;;;;2.08;;-1.17;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM454169;MM454169;CCC1=CCC(CF)C=C1;VPPSFQBVELOQRC-UHFFFAOYSA-N;140.2;2.87;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC2_SC4";;;;;;;4.16;;0.44;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM454170;MM454170;CC#CC#CCCCCO;BRMQEKNYOMTALV-UHFFFAOYSA-N;136.19;1.18;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1_P1";;;;;;;2.08;;0.48;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM454171;MM454171;COC1=CCC(CN)C=C1;BMXUMHXGVVQMKO-UHFFFAOYSA-N;139.2;1.05;;;;;DOPC;MDCG;27;1;"MARTINI bead: SC5_SNd";;;;;;;1.64;;-2.66;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM454172;MM454172;CC#CC#CCCCCF;BPRTZBFILFRUHX-UHFFFAOYSA-N;138.19;2.15;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1_C5";;;;;;;3.68;;0.46;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM454173;MM454173;COC1=CCC(CF)C=C1;XUQNSMPXEPFNNR-UHFFFAOYSA-N;142.17;2.06;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC5_SC4";;;;;;;2.97;;0.45;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM454174;MM454174;CC#CC#CCCCNC;JBGOCSXPGZGLBI-UHFFFAOYSA-N;135.21;1.01;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_C1";;;;;;;2.91;;-0.78;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM454175;MM454175;CCC1=CCC(OC)C=C1;OFMIVXZTNPNRPE-UHFFFAOYSA-N;138.21;2.3;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC2_SC5";;;;;;;3.6;;0.34;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM454176;MM454176;CC#CC#CCCCOC;CMCIFJQVWOPLPP-UHFFFAOYSA-N;136.19;1.44;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_C1";;;;;;;2.91;;0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM454177;MM454177;NCC1C=CC(CF)=NN1;RAULHCATJSCFAG-UHFFFAOYSA-N;143.17;-0.2;;;;;DOPC;MDCG;27;1;"MARTINI bead: SP1_SNa";;;;;;;0.04;;-4.13;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM454178;MM454178;CC#CC#CCCNCC;VNHQSXIQFVDRFF-UHFFFAOYSA-N;135.21;1.01;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_C1";;;;;;;2.91;;-0.29;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM454179;MM454179;COC1=COC(CN)C=C1;KWJIIKVFZSICJW-UHFFFAOYSA-N;141.17;0.39;;;;;DOPC;MDCG;27;1;"MARTINI bead: SNa_SNda";;;;;;;0.87;;-4.01;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM454180;MM454180;CC#CC#CCCOCC;HKZYRIAMYVTGJI-UHFFFAOYSA-N;136.19;1.44;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_C4";;;;;;;2.97;;0.45;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM454181;MM454181;C=NNC(C)C#CC#CC;NRSQILOBBHQZKN-UHFFFAOYSA-N;134.18;0.61;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4_Nd";;;;;;;2.2;;0.32;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM454182;MM454182;CC#CC#CCNCCC;GKRWDYNNDUXLJC-UHFFFAOYSA-N;135.21;1.01;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_C1";;;;;;;2.91;;0.35;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM454183;MM454183;CCC1=NOC(CN)C=C1;UVOWKWHRCVZPNQ-UHFFFAOYSA-N;140.19;0.67;;;;;DOPC;MDCG;27;1;"MARTINI bead: SC5_SP1";;;;;;;0.81;;-1.94;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM454184;MM454184;CC#CC#CCNCCN;RBSMIWJDJDUROH-UHFFFAOYSA-N;136.2;-0.44;;;;;DOPC;MDCG;27;1;"MARTINI bead: C1_P4";;;;;;;0.85;;-2.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM454185;MM454185;NCC1C=CC(CF)=NO1;URIWHRMUOOLMDS-UHFFFAOYSA-N;144.15;0.23;;;;;DOPC;MDCG;27;1;"MARTINI bead: SP1_SNa";;;;;;;0.04;;-3.98;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM454186;MM454186;CC#CC#CCOCCC;CSBODAFJKYESKT-UHFFFAOYSA-N;136.19;1.44;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_C1";;;;;;;2.91;;0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM454187;MM454187;C=NNCCC(=O)C(=C)C;PPBUUEIBMIRGGQ-UHFFFAOYSA-N;140.19;0.73;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_Nd";;;;;;;0.87;;-1.88;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM454188;MM454188;CC#CC#CCOCCN;JXBWVKKJMQJBDV-UHFFFAOYSA-N;137.18;-0.01;;;;;DOPC;MDCG;27;1;"MARTINI bead: C1_P3";;;;;;;0.94;;-1.81;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM454189;MM454189;Cn1nc(N)c(=O)c(=O)o1;GJTRGRFWABYFPX-UHFFFAOYSA-N;143.1;-1.68;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP2_SP2";;;;;;;-1.34;;-4.31;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM454190;MM454190;CC#CC#CCOCCO;HNVXXZCVAALWRQ-UHFFFAOYSA-N;138.17;0.02;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1_P3";;;;;;;0.94;;0.03;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM454191;MM454191;C=CC1=CCC(CC)C=C1;FKHOSCMFLFWDKN-UHFFFAOYSA-N;134.22;3.08;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC1_SC3";;;;;;;4.61;;0.31;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM454192;MM454192;CC#CC#CCOCCF;COOUXUUURCYJEZ-UHFFFAOYSA-N;140.16;1;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4_Na";;;;;;;2.2;;0.34;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM454193;MM454193;CCC1C=CC(C=O)=CC1;HBMJCXMFGFHMCF-UHFFFAOYSA-N;136.19;2.1;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC1_SNa";;;;;;;2.91;;0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM454194;MM454194;CC#CC#CCOCOC;OWVJOPDIEIOVGE-UHFFFAOYSA-N;138.17;0.63;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_C1";;;;;;;1.8;;0.4;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM454195;MM454195;C=CC1=COC(CF)C=C1;JREQUBSCIFQKSY-UHFFFAOYSA-N;140.16;1.98;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNa_SC5";;;;;;;1.64;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM454196;MM454196;C=CCCCC#CC#CC;FEENTVZKUHINJS-UHFFFAOYSA-N;132.21;2.37;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1_C4";;;;;;;4.24;;0.42;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM454197;MM454197;C=CC1=NOC(CN)C=C1;HAYUWBHPIIURBP-UHFFFAOYSA-N;138.17;0.44;;;;;DOPC;MDCG;27;1;"MARTINI bead: SP1_SC5";;;;;;;0.81;;-1.94;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM454198;MM454198;CC#CC#CCCCC=O;KCLSEGDMQWEIDV-UHFFFAOYSA-N;134.18;1.38;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1_Na";;;;;;;2.91;;0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM454199;MM454199;N=c1c(=O)oc(N)cn1N;UYZQDBJVHXGDAY-UHFFFAOYSA-N;142.12;-1.78;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP3_SP2";;;;;;;-2.2;;-5.19;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM454200;MM454200;CC#CC#CCCCC#N;PLNPFJQTVSHIJI-UHFFFAOYSA-N;131.18;1.71;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1_P1";;;;;;;2.08;;0.48;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM454201;MM454201;C=CC1C=CC(CC)=CC1;AQUORRLKEFBWDJ-UHFFFAOYSA-N;134.22;3.08;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC2_SC3";;;;;;;4.53;;0.32;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM454202;MM454202;CC#CC#CCCNC=N;MBIQEJLCROCQEX-UHFFFAOYSA-N;134.18;0.6;;;;;DOPC;MDCG;27;1;"MARTINI bead: C1_P3";;;;;;;0.94;;-3.76;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM454203;MM454203;COC1=CCC(C=O)C=C1;FPABRXVFYDBRMC-UHFFFAOYSA-N;138.17;1.29;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC5_SNa";;;;;;;1.64;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM454204;MM454204;CC#CC#CCCNC=O;HLZLSXALFNHDKK-UHFFFAOYSA-N;135.17;0.15;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1_P3";;;;;;;0.94;;0.03;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM454205;MM454205;O=CC1C=CC(CF)=CO1;JJYFFPGDJCJPBG-UHFFFAOYSA-N;142.13;0.99;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNa_SNa";;;;;;;0.87;;-2.22;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM454206;MM454206;C=NNCCC#CC#CC;FQTRIMJTWWDQLU-UHFFFAOYSA-N;134.18;0.61;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1_P2";;;;;;;1.8;;0.4;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM454207;MM454207;C#CC1(C)CC(CC)=NN1;GAJXXRFEGGHNPP-UHFFFAOYSA-N;136.2;1.14;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP1_SNd";;;;;;;0.04;;-2.63;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM454208;MM454208;C=COCCC#CC#CC;JWZHWHKSBRYLGF-UHFFFAOYSA-N;134.18;1.56;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1_Na";;;;;;;2.91;;0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM454209;MM454209;C#CC1=NCC(C)(C#C)N1;APKORYKRIKCQBO-UHFFFAOYSA-N;132.17;0.01;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP1_SNd";;;;;;;0.04;;-2.63;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM454210;MM454210;CC#CC#CCCOC=O;ZJGFILCUFVRWFR-UHFFFAOYSA-N;136.15;0.58;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1_P1";;;;;;;2.08;;0.48;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM454211;MM454211;CCC1=CCN(C=N)C=C1;DDIYLBWKPOCTLM-UHFFFAOYSA-N;136.2;1.76;;;;;DOPC;MDCG;27;1;"MARTINI bead: SN0_SNd";;;;;;;1.17;;-4.08;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM454212;MM454212;CC1=NNC2(C#N)CC1C2;NPMAQGLVPXXEEE-UHFFFAOYSA-N;135.17;0.64;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP1_SP1";;;;;;;-0.79;;-3.13;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM454213;MM454213;N=CN1C=CC(CO)=CC1;UOCYHUCCMAJPIW-UHFFFAOYSA-N;138.17;0.34;;;;;DOPC;MDCG;27;1;"MARTINI bead: SP1_SNd";;;;;;;0.04;;-5.61;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM454214;MM454214;CC#CC#CCNCC#N;PJDOZEWGMZCXNR-UHFFFAOYSA-N;132.17;0.13;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1_P3";;;;;;;0.94;;0.03;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM454215;MM454215;NCC1=CCN(C=O)C=C1;AFWARZRIBCLKBP-UHFFFAOYSA-N;138.17;-0.14;;;;;DOPC;MDCG;27;1;"MARTINI bead: SP1_SNda";;;;;;;0.04;;-4.62;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM454216;MM454216;CC#CC#CCNNC=N;RIBONLQDWHLYDG-UHFFFAOYSA-N;135.17;-0.29;;;;;DOPC;MDCG;27;1;"MARTINI bead: C4_P4";;;;;;;0.15;;-4.89;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM454217;MM454217;O=CN1C=CC(CO)=CC1;MBMHYMFFXORGDA-UHFFFAOYSA-N;139.15;-0.11;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP1_SNda";;;;;;;0.04;;-2.73;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM454218;MM454218;C=CCOCC#CC#CC;XPTGHAKCONVRLN-UHFFFAOYSA-N;134.18;1.22;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1_Na";;;;;;;2.91;;0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM454219;MM454219;O=CN1C=CC(CF)=CC1;CHFKNUMBHYKUIX-UHFFFAOYSA-N;141.15;0.87;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNa_SNda";;;;;;;0.87;;-1.99;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM454220;MM454220;CC#CC#CCOCC=O;ZTGBPJMRMLKTLM-UHFFFAOYSA-N;136.15;0.23;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1_P2";;;;;;;1.8;;0.4;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM454221;MM454221;COC1=CCN(C=N)C=C1;KBPSVRSMAJLSND-UHFFFAOYSA-N;138.17;0.95;;;;;DOPC;MDCG;27;1;"MARTINI bead: SNa_SNd";;;;;;;0.87;;-4.51;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM454222;MM454222;CC#CC#CCOCC#N;JFQCZCXOFVGHRE-UHFFFAOYSA-N;133.15;0.55;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1_P3";;;;;;;0.94;;0.03;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM454223;MM454223;COC1=CCN(C=O)C=C1;NEWPNTGPDKSFLR-UHFFFAOYSA-N;139.15;0.5;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNa_SNda";;;;;;;0.87;;-1.99;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM454224;MM454224;CC#CC#CCONC=N;ZTECJGBZOLSCJG-UHFFFAOYSA-N;136.15;0.14;;;;;DOPC;MDCG;27;1;"MARTINI bead: C1_P4";;;;;;;0.85;;-2.23;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM454225;MM454225;CCC1=CCN(C=N)N=C1;JNQWUAYULDZTEH-UHFFFAOYSA-N;137.19;1.23;;;;;DOPC;MDCG;27;0;"MARTINI bead: SN0_SP1";;;;;;;0.34;;-1.53;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM454226;MM454226;CC#CC#CCONC=O;HPKLVZNMGQAYDP-UHFFFAOYSA-N;137.14;-0.31;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1_P4";;;;;;;0.85;;-0.64;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM454227;MM454227;N=CN1CC=C(CN)C=N1;DNWSWCYJUQDQMK-UHFFFAOYSA-N;138.17;-0.22;;;;;DOPC;MDCG;27;1;"MARTINI bead: SP1_SP1";;;;;;;-0.79;;-4.69;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM454228;MM454228;C#CCCCC#CC#CC;DZRIYKYDRGZBDR-UHFFFAOYSA-N;130.19;1.82;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1_N0";;;;;;;3.21;;0.46;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM454229;MM454229;CN=C(CF)NC(=N)OC;AZLHPXFYSIRZCT-UHFFFAOYSA-N;147.15;0.15;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_Na";;;;;;;-0.24;;-3.24;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM454230;MM454230;C#CCOCC#CC#CC;YIFXHHJODWHWQQ-UHFFFAOYSA-N;132.16;0.66;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1_P2";;;;;;;1.8;;0.4;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM454231;MM454231;CCC1=CCN(C=O)N=C1;LZPJMTPJYIHXQS-UHFFFAOYSA-N;138.17;0.78;;;;;DOPC;MDCG;27;0;"MARTINI bead: SN0_SP1";;;;;;;0.34;;-1.53;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM454232;MM454232;CC=CCCC#CCCN;CIHBSPXBZXKCFQ-UHFFFAOYSA-N;137.23;1.69;;;;;DOPC;MDCG;27;1;"MARTINI bead: C1_Nd";;;;;;;2.91;;-0.24;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM454233;MM454233;NCC1=CCN(C=O)N=C1;BAGPUIUGNKKGKM-UHFFFAOYSA-N;139.16;-0.67;;;;;DOPC;MDCG;27;1;"MARTINI bead: SP1_SP1";;;;;;;-0.79;;-4.69;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM454234;MM454234;CCCC#CCCC=NN;KMIUNNNOYFRMCZ-UHFFFAOYSA-N;138.21;1.51;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1_Nd";;;;;;;2.91;;0.63;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM454235;MM454235;CN=C(NC(=N)CF)OC;MXEKIBDGWYKQBL-UHFFFAOYSA-N;147.15;0.15;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_P2";;;;;;;-0.24;;-3.24;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM454236;MM454236;NCCC#CCCC=NO;MXXZTYGDCBUGIT-UHFFFAOYSA-N;140.19;0.58;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_Nda";;;;;;;0.87;;-4.2;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM454237;MM454237;O=CN1CC=C(CF)C=N1;TVMKOCYNIQKDCQ-UHFFFAOYSA-N;142.13;0.34;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNa_SP1";;;;;;;0.04;;-2.54;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM454238;MM454238;CNCC#CCCC=NO;NGFMTLOVADTUQY-UHFFFAOYSA-N;140.19;0.45;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_P1";;;;;;;0.04;;-4.32;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM454239;MM454239;COC1=CCN(C=N)N=C1;QRMBRIYVLYMNJI-UHFFFAOYSA-N;139.16;0.43;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNa_SP1";;;;;;;0.04;;-2.54;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM454240;MM454240;CN=CNCC#CCCN;ZKXSZCGZTHCDHH-UHFFFAOYSA-N;139.2;-0.41;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1_Nd";;;;;;;0.04;;-5.28;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM454241;MM454241;COC1=CCN(C=O)N=C1;ONYVNTHCLZUBJA-UHFFFAOYSA-N;140.14;-0.03;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNa_SP1";;;;;;;0.04;;-2.54;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM454242;MM454242;CN=CNCC#CCCO;ZLYYLXFLZFTWBT-UHFFFAOYSA-N;140.19;-0.38;;;;;DOPC;MDCG;27;1;"MARTINI bead: P2_Nda";;;;;;;-0.24;;-5.56;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM454243;MM454243;C=CC1=CCC(C=C)C=C1;VXKBLCNKWSCXHB-UHFFFAOYSA-N;132.21;2.86;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC3_SC3";;;;;;;4.27;;0.2;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM454244;MM454244;CN=CNCC#CCCF;XCOFHFHXXQWKNK-UHFFFAOYSA-N;142.18;0.6;;;;;DOPC;MDCG;27;1;"MARTINI bead: P2_C4";;;;;;;1.09;;-2.59;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM454245;MM454245;C=CC1C=CC(C=O)=CN1;SXASQWPBSHUEIY-UHFFFAOYSA-N;135.17;0.78;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNd_SP1";;;;;;;0.04;;-2.63;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM454246;MM454246;NCCC#CCN=CNO;MVZPZOGFADRDMG-UHFFFAOYSA-N;141.17;-0.65;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_P2";;;;;;;-0.24;;-5.57;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM454247;MM454247;C=CC1=NNC(C=C)C=C1;RVCQWYSGHQVERV-UHFFFAOYSA-N;134.18;1.24;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNd_SN0";;;;;;;1.17;;-1.04;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM454248;MM454248;N#CCNN=CC=CC=O;SVCBBAKLQDBINH-UHFFFAOYSA-N;137.14;-0.16;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_Nd";;;;;;;0.87;;-1.88;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM454249;MM454249;O=CC1=COC(C=O)C=C1;PLVPTHXWMPLDSC-UHFFFAOYSA-N;138.12;0.22;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNa_SNa";;;;;;;0.87;;-2.22;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM454250;MM454250;CNCC#CCN=CNN;SMTSWTZWDIOJTI-UHFFFAOYSA-N;140.19;-1.3;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1_P1";;;;;;;-0.79;;-4.55;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM454251;MM454251;C=CC1=NOC(C=C)C=C1;BAJQGQMSBQMYMU-UHFFFAOYSA-N;135.17;1.67;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNa_SC5";;;;;;;1.64;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM454252;MM454252;CC=NNCC#CCCC;HVAIZQCPJHDQND-UHFFFAOYSA-N;138.21;1.39;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1_Nd";;;;;;;2.91;;0.63;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM454253;MM454253;C=CC1=CCN(C=N)C=C1;IVLLUVLKBCCISD-UHFFFAOYSA-N;134.18;1.54;;;;;DOPC;MDCG;27;1;"MARTINI bead: SN0_SNd";;;;;;;1.17;;-4.01;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM454254;MM454254;CC=NNCC#CCCF;YXAPVPHXWGGAJD-UHFFFAOYSA-N;142.18;0.94;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nd_Na";;;;;;;0.87;;-1.88;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM454255;MM454255;N=CN1C=CC(C=O)=CC1;SOECRSDYMKXWKD-UHFFFAOYSA-N;136.15;0.55;;;;;DOPC;MDCG;27;1;"MARTINI bead: SNd_SP1";;;;;;;0.04;;-5.5;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM454256;MM454256;CC=NNCC#CCOC;BHDVEFVVYFEUEV-UHFFFAOYSA-N;140.19;0.23;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_Nd";;;;;;;0.87;;-1.88;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM454257;MM454257;C=CC1=CCN(C=O)C=C1;LLGZACAPNPWNBY-UHFFFAOYSA-N;135.17;1.08;;;;;DOPC;MDCG;27;0;"MARTINI bead: SN0_SNda";;;;;;;1.17;;-1.13;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM454258;MM454258;CC=COCC#CCCC;SMQCWQVHEKKYJG-UHFFFAOYSA-N;138.21;2.34;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1_Na";;;;;;;2.91;;0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM454259;MM454259;O=CC1=CCN(C=O)C=C1;VQHMGQGLSLLPNE-UHFFFAOYSA-N;137.14;0.1;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNda_SP1";;;;;;;0.04;;-2.73;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM454260;MM454260;CC=COCC#CCCN;NQSQQASOOKSBHS-UHFFFAOYSA-N;139.2;0.89;;;;;DOPC;MDCG;27;1;"MARTINI bead: Na_Nd";;;;;;;0.87;;-4.31;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM454261;MM454261;N=CN1C=CC(C=O)=CN1;DEUBGXNMECBALV-UHFFFAOYSA-N;137.14;0.01;;;;;DOPC;MDCG;27;1;"MARTINI bead: SP2_SP2";;;;;;;-1.34;;-5.96;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM454262;MM454262;CCCC#CCOC=CF;UGYGCKAJYLVXBX-UHFFFAOYSA-N;142.17;2.25;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1_Na";;;;;;;2.91;;0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM454263;MM454263;O=CC1=CNN(C=O)C=C1;NILUECRADJIHJA-UHFFFAOYSA-N;138.13;-0.44;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP1_SP2";;;;;;;-1.06;;-3.82;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM454264;MM454264;NNC1=NOCO1;WSGOZEUPQGZLNL-UHFFFAOYSA-N;103.08;-1.28;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP2_SP1";;;;;;;-1.06;;-3.82;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM454265;MM454265;C=CC1=CCN(C=N)N=C1;LQSYQJSIJHCLMN-UHFFFAOYSA-N;135.17;1.01;;;;;DOPC;MDCG;27;0;"MARTINI bead: SN0_SP1";;;;;;;0.34;;-1.53;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM454266;MM454266;CCCC#CCOC=NO;WFBMWCMDBUSDGO-UHFFFAOYSA-N;141.17;1.22;;;;;DOPC;MDCG;27;0;"MARTINI bead: C3_P2";;;;;;;1.46;;-0.15;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM454267;MM454267;N=CN1CC=C(C=O)C=N1;MLZWSGCKMJZXEG-UHFFFAOYSA-N;137.14;0.02;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP1_SP1";;;;;;;-0.79;;-3.13;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM454268;MM454268;NCCC#CCOC=NO;QZSNEOJZPMDQTB-UHFFFAOYSA-N;142.16;-0.23;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_P2";;;;;;;-0.24;;-6.19;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM454269;MM454269;C=CC1=CCN(C=O)N=C1;XOVMAIXRRQNJMQ-UHFFFAOYSA-N;136.15;0.56;;;;;DOPC;MDCG;27;0;"MARTINI bead: SN0_SP1";;;;;;;0.34;;-1.53;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM454270;MM454270;CC=NOCC#CCCC;MJWSFJJISRZNDU-UHFFFAOYSA-N;139.2;1.81;;;;;DOPC;MDCG;27;0;"MARTINI bead: C3_Na";;;;;;;2.57;;0.45;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM454271;MM454271;O=CC1=CCN(C=O)N=C1;CHDIONGZUYFLTO-UHFFFAOYSA-N;138.13;-0.43;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP1_SP1";;;;;;;-0.79;;-3.13;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM454272;MM454272;CC=NOCC#CCCN;ANRCMNOFULFTGO-UHFFFAOYSA-N;140.19;0.36;;;;;DOPC;MDCG;27;1;"MARTINI bead: Na_Nd";;;;;;;0.87;;-4.3;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM454273;MM454273;C=NNC(C#N)CC;UCLPIAVKRMHWCS-UHFFFAOYSA-N;111.15;0.49;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_P1";;;;;;;0.81;;-0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM454274;MM454274;CC=C1C=CC(CC)=CC1;PHWXIEGBIWSOSV-UHFFFAOYSA-N;134.22;3.23;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC2_SC3";;;;;;;4.53;;0.32;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM454275;MM454275;CC=NOCC#CCOC;YOMGJOOGVDSXKT-UHFFFAOYSA-N;141.17;0.66;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_Na";;;;;;;0.87;;-2.22;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM454276;MM454276;NCC1=CCC(=CF)C=C1;RKDBHYZBTZNIBO-UHFFFAOYSA-N;139.17;1.68;;;;;DOPC;MDCG;27;1;"MARTINI bead: SNd_SC4";;;;;;;2.2;;-1.63;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM454277;MM454277;CC(F)=CN=C(CF)NN;GUHXMLQQLPYLRP-UHFFFAOYSA-N;149.14;0.65;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_P2";;;;;;;0.54;;-1.09;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM454278;MM454278;C=CCC#CCCC=CC;OMTBFWWGPDEUFP-UHFFFAOYSA-N;134.22;2.92;;;;;DOPC;MDCG;27;0;"MARTINI bead: C2_C3";;;;;;;4.53;;0.32;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM454279;MM454279;CC=C1C=CC(OC)=CC1;IEUIJPRRHWMZQY-UHFFFAOYSA-N;136.19;2.42;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC5_SC3";;;;;;;3.34;;0.48;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM454280;MM454280;CC=CCCC#CCC=O;HMQOQNIPQJOJQM-UHFFFAOYSA-N;136.19;1.94;;;;;DOPC;MDCG;27;0;"MARTINI bead: C2_C5";;;;;;;3.6;;0.34;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM454281;MM454281;CC=CCCC#CCC#N;LBLCQZCMMFWGJP-UHFFFAOYSA-N;133.19;2.26;;;;;DOPC;MDCG;27;0;"MARTINI bead: C2_N0";;;;;;;3.13;;0.3;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM454282;MM454282;COC1=CCC(=CF)C=C1;MUOAITSIRILGSQ-UHFFFAOYSA-N;140.16;2.33;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC5_SC4";;;;;;;2.97;;0.45;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM454283;MM454283;C=CCC#CCCC=CF;YNLJJCKZZCUQLJ-UHFFFAOYSA-N;138.19;2.83;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4_C3";;;;;;;3.9;;0.47;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM454284;MM454284;CCC(O)(CC)CC1CC1;ZKPOMMWFUGHFLC-UHFFFAOYSA-N;142.24;2.34;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_SC5";;;;;;;2.41;;0.64;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM454285;MM454285;O=CCC#CCCC=CF;WMZOWYBDWSHKOX-UHFFFAOYSA-N;140.16;1.84;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4_C5";;;;;;;2.97;;0.45;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM454286;MM454286;CCC1=CCC(=NO)C=C1;IFICFJFALHSBRX-UHFFFAOYSA-N;137.18;2.11;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC2_SNda";;;;;;;2.83;;0.57;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM454287;MM454287;N#CCC#CCCC=CF;WOMISNNGQZPLDM-UHFFFAOYSA-N;137.16;2.17;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_N0";;;;;;;1.94;;0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM454288;MM454288;NCC1=CCC(=NO)C=C1;PWROBCLNAUHUPP-UHFFFAOYSA-N;138.17;0.66;;;;;DOPC;MDCG;27;1;"MARTINI bead: SNd_SNda";;;;;;;0.87;;-4.1;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM454289;MM454289;C=CCC#CCCC=NN;YBYKWSZJLFPHRM-UHFFFAOYSA-N;136.2;1.29;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nd_C3";;;;;;;2.57;;0.53;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM454290;MM454290;OCC1=CCC(=NO)C=C1;NMGWLNVWSODMBY-UHFFFAOYSA-N;139.15;0.7;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNda_SNda";;;;;;;0.87;;-2.07;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM454291;MM454291;C=CCC#CCCC=NO;JAUXFDSRIOTWEC-UHFFFAOYSA-N;137.18;1.81;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_C3";;;;;;;1.74;;0.29;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM454292;MM454292;C#CC(F)C=NN=CC=C;PTZPBKZNLZBEOW-UHFFFAOYSA-N;138.15;1.2;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_N0";;;;;;;1.94;;0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM454293;MM454293;O=CCC#CCCC=NO;GHUSSFFUMPHGLF-UHFFFAOYSA-N;139.15;0.82;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_C5";;;;;;;0.81;;-0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM454294;MM454294;COC1=CCC(=NO)C=C1;LEDUVSHEWAVEKH-UHFFFAOYSA-N;139.15;1.31;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC5_SNda";;;;;;;1.64;;0.05;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM454295;MM454295;C=CCC#CCNC=NC;XTVANRDAAAFFMX-UHFFFAOYSA-N;136.2;0.81;;;;;DOPC;MDCG;27;1;"MARTINI bead: P2_C3";;;;;;;1.46;;-2.27;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM454296;MM454296;CCc1ccc(NN)nc1;JZZQJNHQUKYNHD-UHFFFAOYSA-N;137.19;0.93;;;;;DOPC;MDCG;27;1;"MARTINI bead: SC5_SNda";;;;;;;1.64;;-3.64;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM454297;MM454297;CC1ON=C(NN)O1;UKJGQPQJKXFWSS-UHFFFAOYSA-N;117.11;-0.89;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP1_SP2";;;;;;;-1.06;;-3.82;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM454298;MM454298;Cc1nnn(N)c(=N)c1N;RQRNHSBIWALBND-UHFFFAOYSA-N;140.15;-1.64;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP2_SP3";;;;;;;-2.2;;-5.19;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM454299;MM454299;CC1(C)ON=C(NN)O1;AGKVNXURPWKASO-UHFFFAOYSA-N;131.14;-0.5;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNa_SP2";;;;;;;-0.24;;-3.24;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM454300;MM454300;NCc1ccc(NO)nc1;ZUDANPVQOJNQJZ-UHFFFAOYSA-N;139.16;0.34;;;;;DOPC;MDCG;27;1;"MARTINI bead: SP1_SNda";;;;;;;0.04;;-4.35;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM454301;MM454301;C=CCC#CCNN=CC;QLKSCJGTAMDOTE-UHFFFAOYSA-N;136.2;1.16;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nd_C3";;;;;;;2.57;;0.53;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM454302;MM454302;CNc1ccc(NN)nc1;OUIHBNNWVFKLPV-UHFFFAOYSA-N;138.17;0.41;;;;;DOPC;MDCG;27;1;"MARTINI bead: SNd_SNda";;;;;;;0.87;;-5.73;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM454303;MM454303;CC(C)C=NNCC#N;XUDYOSHDGNRNLD-UHFFFAOYSA-N;125.18;0.74;;;;;DOPC;MDCG;27;0;"MARTINI bead: C3_P3";;;;;;;0.6;;-0.8;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM454304;MM454304;C=CC1(OC)C=NNC1C;RVLJECRZZFCHTJ-UHFFFAOYSA-N;140.19;0.54;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNa_SP1";;;;;;;0.04;;-2.54;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM454305;MM454305;Cn1cnc(NC=N)n1;PCTOZGUOCPNXAN-UHFFFAOYSA-N;125.14;-0.17;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP1_SP2";;;;;;;-1.06;;-3.82;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM454306;MM454306;CCN1C=C(C)C(=O)CC1;LHFIHVARKXJIBD-UHFFFAOYSA-N;139.2;1.18;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC5_SP1";;;;;;;0.81;;-0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM454307;MM454307;C=CCC#CCOC=CC;VRGFMPJKFBKCIR-UHFFFAOYSA-N;136.19;2.12;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_C3";;;;;;;2.57;;0.45;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM454308;MM454308;N=c1cc(N)cnn1C=O;ATCMDLXDIBBXFL-UHFFFAOYSA-N;138.13;-1.02;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP1_SP2";;;;;;;-1.06;;-3.82;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM454309;MM454309;CC=COCC#CCC=O;RXNKQNFGEXWBDC-UHFFFAOYSA-N;138.17;1.13;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_Na";;;;;;;1.64;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM454310;MM454310;OCc1ncc(NO)nn1;KNOIPYNWZUFBLB-UHFFFAOYSA-N;142.12;-0.84;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP2_SP2";;;;;;;-1.34;;-4.31;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM454311;MM454311;CCC1=COC(=CF)C=C1;LUKDUDQESQQXQC-UHFFFAOYSA-N;140.16;2.68;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC5_SC5";;;;;;;2.41;;0.64;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM454312;MM454312;CC=COCC#CCC#N;DHCLNPLPOICJKV-UHFFFAOYSA-N;135.17;1.45;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_N0";;;;;;;1.94;;0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM454313;MM454313;OCC1=COC(=CF)C=C1;GYWGGCTXGRNMFE-UHFFFAOYSA-N;142.13;1.26;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNda_SC5";;;;;;;1.64;;0.05;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM454314;MM454314;C=CCC#CCOC=CF;YWOLKMSJXARKAH-UHFFFAOYSA-N;140.16;2.02;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_C3";;;;;;;2.57;;0.45;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM454315;MM454315;CC=C1C=CC(OC)=CO1;PYDHERJCIDZLNW-UHFFFAOYSA-N;138.17;1.96;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNa_SC4";;;;;;;2.2;;0.34;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM454316;MM454316;N#CCC#CCOC=CF;PSGDDHGMVCFZGB-UHFFFAOYSA-N;139.13;1.36;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_N0";;;;;;;1.17;;-1.18;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM454317;MM454317;CCc1ccc(=NO)on1;ZXZOURBNUBOWJU-UHFFFAOYSA-N;140.14;0.53;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNa_SP1";;;;;;;0.04;;-2.54;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM454318;MM454318;N#CCC#CCOC=NO;WVEROSKFWNRDDX-UHFFFAOYSA-N;138.13;0.34;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda_P1";;;;;;;0.04;;-2.73;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM454319;MM454319;OCc1coc(=NO)cn1;WOICHJKXADOAIS-UHFFFAOYSA-N;142.11;-0.54;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP2_SP2";;;;;;;-1.34;;-4.31;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM454320;MM454320;C=CCC#CCON=CC;JCMVGGYIDNROGH-UHFFFAOYSA-N;137.18;1.59;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_C3";;;;;;;1.74;;0.29;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM454321;MM454321;CCc1ncc(=NO)on1;LAVIHUJFZSPKCA-UHFFFAOYSA-N;141.13;-0.08;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP1_SP3";;;;;;;-1.93;;-4.72;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM454322;MM454322;CCC1ON=C(NN)O1;BYNYKRWPHBZCIF-UHFFFAOYSA-N;131.14;-0.5;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNa_SP2";;;;;;;-0.24;;-3.24;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM454323;MM454323;O=CC1=CCC(=CF)C=C1;HNHUXVBKORDKQK-UHFFFAOYSA-N;138.14;1.93;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC4_SNa";;;;;;;2.2;;0.34;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM454324;MM454324;CCON=CNOC=O;CXQXGZNYPCSWQJ-UHFFFAOYSA-N;132.12;-0.36;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_P2";;;;;;;-0.24;;-3.24;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM454325;MM454325;C#CCC#CCCC=CC;IQYFADDFKZLPSQ-UHFFFAOYSA-N;132.21;2.37;;;;;DOPC;MDCG;27;0;"MARTINI bead: C2_C3";;;;;;;4.53;;0.32;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM454326;MM454326;CC#CC1NN=C(C)C1C;OGFYTERTSHTDOK-UHFFFAOYSA-N;136.2;0.99;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNd_SP1";;;;;;;0.04;;-2.63;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM454327;MM454327;C#CCC#CCCC=CF;AHRAWXDFESMADA-UHFFFAOYSA-N;136.17;2.28;;;;;DOPC;MDCG;27;0;"MARTINI bead: C3_N0";;;;;;;2.87;;0.37;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM454328;MM454328;C=CC1=CCC(=NO)C=C1;IQGULAFXRSIPLM-UHFFFAOYSA-N;135.17;1.89;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNda_SC3";;;;;;;2.57;;0.44;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM454329;MM454329;O=CC1=CCC(=NO)C=C1;RMWWZXNVJMBYIO-UHFFFAOYSA-N;137.14;0.9;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNda_SNa";;;;;;;0.87;;-1.99;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM454330;MM454330;C#CCC#CCCC=NN;WJTUZYKZJBJUPF-UHFFFAOYSA-N;134.18;0.74;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nd_C3";;;;;;;2.57;;0.53;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM454331;MM454331;C#CC1OC1C(C=C)=NN;XFUVGODNMYIILH-UHFFFAOYSA-N;136.15;-0.11;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nd_SNa";;;;;;;0.87;;-1.88;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM454332;MM454332;C#CCC#CCCC=NO;QAIRDQLZPOSLPP-UHFFFAOYSA-N;135.17;1.25;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_C3";;;;;;;1.74;;0.29;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM454333;MM454333;COC(=O)ON=CC(C)F;DQQSMRQIIRWJJG-UHFFFAOYSA-N;149.12;1.11;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_C5";;;;;;;0.81;;-0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM454334;MM454334;C=CC1=COC(=CC)C=C1;RUCYVRJOZNJNEP-UHFFFAOYSA-N;134.18;2.55;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC4_SC5";;;;;;;2.97;;0.45;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM454335;MM454335;C#CCC#CCNN=CC;JXAHWDSERQVHEW-UHFFFAOYSA-N;134.18;0.61;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nd_N0";;;;;;;1.17;;-1.04;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM454336;MM454336;O=CC1=COC(=CF)C=C1;NUHOAQYDGBSRRE-UHFFFAOYSA-N;140.11;1.47;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC5_SNa";;;;;;;1.64;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM454337;MM454337;C#CCC#CCOC=CC;OHRPBOVYQDRONX-UHFFFAOYSA-N;134.18;1.56;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_N0";;;;;;;1.94;;0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM454338;MM454338;N#CC(F)C(=NO)C(F)F;FJRJSTOYZUFBKU-UHFFFAOYSA-N;152.08;0.94;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda_Na";;;;;;;0.87;;-8.68;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM454339;MM454339;C#CCC#CCOC=CF;RIJUHLIPLHHUMH-UHFFFAOYSA-N;138.14;1.47;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_C3";;;;;;;2.57;;0.45;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM454340;MM454340;N#CCCNC(=O)C(=O)O;OXAKSJQQIGEXHD-UHFFFAOYSA-N;142.11;-0.9;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_P2";;;;;;;-1.06;;-9.1;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM454341;MM454341;CN(CC#N)NC(=N)C#N;SUCNXYYINTXWTL-UHFFFAOYSA-N;137.15;-0.55;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_P1";;;;;;;-1.06;;-3.82;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM454342;MM454342;CCOC(=CC#N)C(=O)O;TUTFATZVKVARDT-UHFFFAOYSA-N;141.13;0.51;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_P2";;;;;;;0.54;;-6.28;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM454343;MM454343;C#CCC#CCOC=NO;NGBBQBYRSUWNJH-UHFFFAOYSA-N;137.14;0.45;;;;;DOPC;MDCG;27;0;"MARTINI bead: P3_C3";;;;;;;0.6;;-0.8;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM454344;MM454344;COC(C(=O)O)=C(C)C#N;UZLQZOYFQUIGTN-UHFFFAOYSA-N;141.13;0.51;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_P2";;;;;;;0.54;;-6.28;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM454345;MM454345;CCC1=CC=C(CC)CC1;FKIFNMQFQWJNRX-UHFFFAOYSA-N;136.24;3.45;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC1_SC1";;;;;;;4.95;;0.69;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM454346;MM454346;C#CCC#CCON=CC;FQSNOZZSJFYXET-UHFFFAOYSA-N;135.17;1.04;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_C3";;;;;;;1.74;;0.29;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM454347;MM454347;CCC1=CC=C(CN)CC1;KEOKDUVHWPCWTA-UHFFFAOYSA-N;137.23;2;;;;;DOPC;MDCG;27;1;"MARTINI bead: SC1_SNd";;;;;;;2.91;;-0.07;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM454348;MM454348;CC=CC#CCCC=CC;OVJSEDWSONESCP-UHFFFAOYSA-N;134.22;2.92;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1_C4";;;;;;;4.24;;0.42;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM454349;MM454349;C=NNCC#CC=NOC;PRFIUOOREXMSGW-UHFFFAOYSA-N;139.16;-0.17;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_Nd";;;;;;;0.87;;-1.88;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM454350;MM454350;CC=CC#CCCC=CF;DPNXBYOJUJUKBZ-UHFFFAOYSA-N;138.19;2.83;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1_C4";;;;;;;4.24;;0.42;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM454351;MM454351;CCC1=CC=C(CF)CC1;DVOIJXVTHSWAJL-UHFFFAOYSA-N;140.2;3.01;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC1_SC4";;;;;;;4.24;;0.42;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM454352;MM454352;CC=CCCC#CC=NN;IQOBBFACZYSHTA-UHFFFAOYSA-N;136.2;1.29;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1_P1";;;;;;;2.08;;0.48;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM454353;MM454353;NCC1=CC=C(CN)CC1;KBUZIKCBQFRCNO-UHFFFAOYSA-N;138.21;0.55;;;;;DOPC;MDCG;27;1;"MARTINI bead: SNd_SNd";;;;;;;0.87;;-4.65;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM454354;MM454354;CC=CCCC#CC=NO;TXTVTCGZNVBVGD-UHFFFAOYSA-N;137.18;1.81;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1_P1";;;;;;;2.08;;0.48;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM454355;MM454355;NCC1=CC=C(CO)CC1;SQDOAJHSQGLNGS-UHFFFAOYSA-N;139.2;0.58;;;;;DOPC;MDCG;27;1;"MARTINI bead: SNd_SC5";;;;;;;1.64;;-2.13;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM454356;MM454356;CC=CC#CCCC=NN;GAOFDWBMGQZNIV-UHFFFAOYSA-N;136.2;1.29;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1_Nd";;;;;;;2.91;;0.63;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM454357;MM454357;NCC1=CC=C(CF)CC1;RMIQKKKRCJBKOE-UHFFFAOYSA-N;141.19;1.56;;;;;DOPC;MDCG;27;1;"MARTINI bead: SNd_SC4";;;;;;;2.2;;-1.66;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM454358;MM454358;NN=CC#CCCC=NN;VZXHOKMOQXJNJH-UHFFFAOYSA-N;138.17;-0.34;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nd_Nd";;;;;;;0.87;;-2.11;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM454359;MM454359;C=NNCC(C)(F)F;FLDLABJYBPIBSW-UHFFFAOYSA-N;122.12;0.85;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_P1";;;;;;;0.81;;-0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM454360;MM454360;CC=CC#CCNC=NC;OCKPYEZZUYGHRT-UHFFFAOYSA-N;136.2;0.81;;;;;DOPC;MDCG;27;1;"MARTINI bead: C1_P2";;;;;;;1.8;;-1.13;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM454361;MM454361;Cc1cn(N)nc1N;ILBPXQGZHSLWIU-UHFFFAOYSA-N;112.14;-0.51;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP1_SP1";;;;;;;-0.79;;-3.13;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM454362;MM454362;CC=CC#CCNN=CC;VTZKTBUQLLNHKC-UHFFFAOYSA-N;136.2;1.16;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1_Nd";;;;;;;2.91;;0.63;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM454363;MM454363;FCC1=CC=C(CF)CC1;RLFMSLMRBNRORA-UHFFFAOYSA-N;144.16;2.57;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC4_SC4";;;;;;;3.53;;0.53;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM454364;MM454364;CC=NNCC#CC=CF;BUIRFTDDTVONSU-UHFFFAOYSA-N;140.16;1.07;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nd_C5";;;;;;;1.64;;0.02;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM454365;MM454365;CCC1=CC=C(OC)CC1;SJVHZTPGSPLKOZ-UHFFFAOYSA-N;138.21;2.65;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC1_SC5";;;;;;;3.68;;0.46;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM454366;MM454366;C#CC(C)CC(F)C=NN;PUQZYPUSTNCXBL-UHFFFAOYSA-N;142.18;0.93;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_Nda";;;;;;;1.64;;0.05;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM454367;MM454367;COC1=CC=C(CN)CC1;FJZGWNNCGLUWIO-UHFFFAOYSA-N;139.2;1.2;;;;;DOPC;MDCG;27;1;"MARTINI bead: SC5_SNd";;;;;;;1.64;;-2.13;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM454368;MM454368;CC=CC#CCOC=CC;SNBCAVKWVDHCOK-UHFFFAOYSA-N;136.19;2.12;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_C4";;;;;;;2.97;;0.45;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM454369;MM454369;C=NOCC#CC#N;NLRHYPXUULCAQN-UHFFFAOYSA-N;108.1;0.15;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_N0";;;;;;;0.34;;-1.53;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM454370;MM454370;CC=CC#CCOC=CF;KMOPAHUQHJSHGK-UHFFFAOYSA-N;140.16;2.02;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1_Na";;;;;;;2.91;;0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM454371;MM454371;COC1=CC=C(CF)CC1;RKMWJIBAZWWUDX-UHFFFAOYSA-N;142.17;2.21;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC5_SC4";;;;;;;2.97;;0.45;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM454372;MM454372;CC=COCC#CC=NN;KFJFZKFJATXHKX-UHFFFAOYSA-N;138.17;0.48;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_P1";;;;;;;0.81;;-0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM454373;MM454373;COC1=CC=C(OC)CC1;WMMFWYCSBSXCME-UHFFFAOYSA-N;140.18;1.84;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC5_SC5";;;;;;;2.41;;0.64;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM454374;MM454374;CCC1=NN=C(CC)CC1;FSIRKSUYWZMGGB-UHFFFAOYSA-N;138.21;2.4;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC5_SC5";;;;;;;2.41;;0.64;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM454375;MM454375;CC=COCC#CC=NO;ZOEQIBPPBYXLHL-UHFFFAOYSA-N;139.15;1;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_P1";;;;;;;0.81;;-0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM454376;MM454376;NN=CC#CCOC=CF;JKDGNUDIOLNDML-UHFFFAOYSA-N;142.13;0.39;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nd_Na";;;;;;;0.87;;-1.88;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM454377;MM454377;CCC1=NN=C(CO)CC1;MXJYWKUFXCSGBG-UHFFFAOYSA-N;140.19;0.98;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC5_SNda";;;;;;;1.64;;0.05;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM454378;MM454378;CN(C)N=c1occ(N)o1;YTOHRBKLPHIKPZ-UHFFFAOYSA-N;143.15;-0.17;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_SP3";;;;;;;-1.93;;-4.72;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM454379;MM454379;CCC1=NN=C(CF)CC1;KOSKKYXSHYZVBN-UHFFFAOYSA-N;142.18;1.96;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC5_SNa";;;;;;;1.64;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM454380;MM454380;NCC1=NN=C(CN)CC1;HXRUNIDXZKVAFW-UHFFFAOYSA-N;140.19;-0.51;;;;;DOPC;MDCG;27;1;"MARTINI bead: SNd_SNd";;;;;;;0.87;;-3.15;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM454381;MM454381;CNC=NOC(=N)NOC;JYAVJKBWTUOIFE-UHFFFAOYSA-N;146.15;-0.75;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_P2";;;;;;;-1.34;;-4.31;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM454382;MM454382;OCC1=NN=C(CO)CC1;GFUJUTJFJANEKH-UHFFFAOYSA-N;142.16;-0.44;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNda_SNda";;;;;;;0.87;;-2.07;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM454383;MM454383;CC=CC#CCOC=NO;IACAEIOORCFNFP-UHFFFAOYSA-N;139.15;1;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1_P3";;;;;;;0.94;;0.03;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM454384;MM454384;OCC1=NN=C(CF)CC1;IJWZWZVBCNNEOB-UHFFFAOYSA-N;144.15;0.54;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNda_SNa";;;;;;;0.87;;-1.99;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM454385;MM454385;CN(C)C(=O)C(=CN)CF;OUHRYPDWGVKCSC-UHFFFAOYSA-N;146.17;-0.11;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_Nda";;;;;;;-0.24;;-3.31;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM454386;MM454386;FCC1=NN=C(CF)CC1;YVAWSGYTDKVEJM-UHFFFAOYSA-N;146.14;1.52;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNa_SNa";;;;;;;0.87;;-2.22;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM454387;MM454387;NN=COCC#CC=NO;GECZOTBSCOHPDP-UHFFFAOYSA-N;141.13;-0.63;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda_P1";;;;;;;0.04;;-2.73;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM454388;MM454388;CCC1=NN=C(OC)CC1;HMXQYOXJMNVXTQ-UHFFFAOYSA-N;140.19;1.59;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC5_SNa";;;;;;;1.64;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM454389;MM454389;CC=CC#CCON=CC;PFHSAHJMLDZYTE-UHFFFAOYSA-N;137.18;1.59;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1_P1";;;;;;;2.08;;0.48;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM454390;MM454390;COC1=NN=C(CN)CC1;XSPXDCAAATZUIK-UHFFFAOYSA-N;141.17;0.14;;;;;DOPC;MDCG;27;1;"MARTINI bead: SNa_SNd";;;;;;;0.87;;-3.02;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM454391;MM454391;CC=NOCC#CC=CF;VZYBLFDCVZEIBJ-UHFFFAOYSA-N;141.15;1.5;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_C4";;;;;;;2.97;;0.45;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM454392;MM454392;COC1=NN=C(CO)CC1;WTZZCMMWRDYQEK-UHFFFAOYSA-N;142.16;0.17;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNa_SNda";;;;;;;0.87;;-1.99;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM454393;MM454393;CC=NOCC#CC=NO;YGGRIZBYYUHASM-UHFFFAOYSA-N;140.14;0.47;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_P1";;;;;;;0.81;;-0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM454394;MM454394;COC1=NN=C(CF)CC1;RTGATYZFUBFEPB-UHFFFAOYSA-N;144.15;1.15;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNa_SNa";;;;;;;0.87;;-2.22;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM454395;MM454395;CC#CC#CCCC=CC;MEPMBHXFKWCTPN-UHFFFAOYSA-N;132.21;2.37;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1_C4";;;;;;;4.24;;0.42;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM454396;MM454396;CC#CC#CCCC=CF;JEWBASOSSAWXTL-UHFFFAOYSA-N;136.17;2.28;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1_C4";;;;;;;4.24;;0.42;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM454397;MM454397;COC1=NN=C(OC)CC1;ZBSYIAITHPSOBQ-UHFFFAOYSA-N;142.16;0.79;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNa_SNa";;;;;;;0.87;;-2.22;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM454398;MM454398;CC#CC#CCCC=NN;UDJXTCCDBVKZAC-UHFFFAOYSA-N;134.18;0.74;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1_Nd";;;;;;;2.91;;0.63;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM454399;MM454399;C#CCC(C#C)NN=C;GHHSNFRBSHDQGV-UHFFFAOYSA-N;120.16;0.22;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_C5";;;;;;;0.81;;-0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM454400;MM454400;CC#CC#CCCC=NO;XKGPYOMGNRWSFT-UHFFFAOYSA-N;135.17;1.25;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1_P1";;;;;;;2.08;;0.48;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM454401;MM454401;OCC1=NN=C(CF)NC1;ZOCIFWAIGXIUNJ-UHFFFAOYSA-N;145.14;-0.69;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP2_SNda";;;;;;;-0.24;;-3.31;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM454402;MM454402;C#CC1NN=C(C)C1C;SSEBTCCAHVJUSM-UHFFFAOYSA-N;122.17;0.6;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP1_SP1";;;;;;;-0.79;;-3.13;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM454403;MM454403;CC#CC#CCNC=NC;YEFLCVXHNMVHHQ-UHFFFAOYSA-N;134.18;0.26;;;;;DOPC;MDCG;27;1;"MARTINI bead: P2_C1";;;;;;;1.8;;-1.11;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM454404;MM454404;C=CC(=O)CN(C=N)C=O;HYIIJKNNNMZKDM-UHFFFAOYSA-N;140.14;-0.19;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_P3";;;;;;;-1.1;;-4.2;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM454405;MM454405;C#CC1(C#C)C=NNC1;FLVYGBHMJZVDSQ-UHFFFAOYSA-N;118.14;-0.17;;;;;DOPC;MDCG;27;0;"MARTINI bead: SN0_SP1";;;;;;;0.34;;-1.53;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM454406;MM454406;CC#CC#CCOC=CC;IVDVDPSRNXHBPB-UHFFFAOYSA-N;134.18;1.56;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_C1";;;;;;;2.91;;0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM454407;MM454407;C#CC1ONC(=NC)O1;VGUBCPBCTBRJKG-UHFFFAOYSA-N;126.12;-0.52;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP2_SP2";;;;;;;-1.34;;-4.31;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM454408;MM454408;CC#CC#CCOC=CF;CDVWSKGGWKFAHV-UHFFFAOYSA-N;138.14;1.47;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1_Na";;;;;;;2.91;;0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM454409;MM454409;CC=NOCC#CC#N;GUHWLUHGGPQUKK-UHFFFAOYSA-N;122.13;0.54;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_N0";;;;;;;1.17;;-1.18;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM454410;MM454410;C=CC(C#N)NN=C(C)C;SKEOYPZRJHSSQA-UHFFFAOYSA-N;137.19;1.05;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nd_N0";;;;;;;1.17;;-1.04;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM454411;MM454411;FCC1=NN=C(CF)OC1;MOGZXAGVJJWSJV-UHFFFAOYSA-N;148.11;0.71;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNa_SNa";;;;;;;0.87;;-2.22;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM454412;MM454412;CC#CC#CCOC=NO;XWBQPMMNXNSPHR-UHFFFAOYSA-N;137.14;0.45;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1_P3";;;;;;;0.94;;0.03;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM454413;MM454413;CON=CNCC(F)(F)F;LQSZJNMCBDMGBN-UHFFFAOYSA-N;156.11;0.73;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_N0";;;;;;;0.34;;-1.53;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM454414;MM454414;CC#CC#CCON=CC;SGRQPKHEMHOPMY-UHFFFAOYSA-N;135.17;1.04;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_C1";;;;;;;2.08;;0.48;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM454415;MM454415;C#CC(C)(NN=C)C(=C)C;OOAOBXYQWANBRS-UHFFFAOYSA-N;136.2;1.16;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4_P1";;;;;;;1.37;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM454416;MM454416;CC#CCCC#CCCC;NBYMPPGVZWMCFN-UHFFFAOYSA-N;134.22;2.59;;;;;DOPC;MDCG;27;0;"MARTINI bead: C3_C3";;;;;;;4.27;;0.2;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM454417;MM454417;CCC(=O)N=C(C)N(C)C;UETLYSNTHUDISR-UHFFFAOYSA-N;142.2;0.9;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_Nd";;;;;;;0.87;;-1.88;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM454418;MM454418;CC#CCCC#CCCN;UWRODYGRPCJXMR-UHFFFAOYSA-N;135.21;1.14;;;;;DOPC;MDCG;27;1;"MARTINI bead: C3_Nd";;;;;;;2.57;;-1.17;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM454419;MM454419;C=C(F)CC(=NOC)NN;SXVGXMQKTXCMFJ-UHFFFAOYSA-N;147.15;0.28;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_C5";;;;;;;0.81;;-0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM454420;MM454420;CC#CCCC#CCNC;RBNJOBLATCJIPY-UHFFFAOYSA-N;135.21;1.01;;;;;DOPC;MDCG;27;1;"MARTINI bead: P2_C3";;;;;;;1.46;;-1.76;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM454421;MM454421;CC12CC(C1)C(=O)C(=N)N2;QADUIFIWPMVELG-UHFFFAOYSA-N;138.17;0.3;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNd_SP1";;;;;;;0.04;;-2.63;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM454422;MM454422;C=CCC#CCCC#CC;DKLSGPIXKBSAHF-UHFFFAOYSA-N;132.21;2.37;;;;;DOPC;MDCG;27;0;"MARTINI bead: C3_C5";;;;;;;3.34;;0.48;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM454423;MM454423;CC(C)=NOCC#CC#N;HORDVTGRDSJOAN-UHFFFAOYSA-N;136.15;0.93;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_N0";;;;;;;1.17;;-1.18;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM454424;MM454424;CC#CCCC#CCC=O;LHNJSHWKPCODBB-UHFFFAOYSA-N;134.18;1.38;;;;;DOPC;MDCG;27;0;"MARTINI bead: C3_Na";;;;;;;2.57;;0.45;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM454425;MM454425;C=NN=C(C)C(=O)COC;KEYFERPNUZWDIJ-UHFFFAOYSA-N;142.16;0.28;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_C5";;;;;;;0.81;;-0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM454426;MM454426;CC#CCCC#CCC#N;LAJZMDFNPJUZEJ-UHFFFAOYSA-N;131.18;1.71;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4_N0";;;;;;;2.5;;0.44;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM454427;MM454427;C=NNC(CC#N)C(=C)F;JEQJKEXEDVWAMJ-UHFFFAOYSA-N;141.15;0.96;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_P1";;;;;;;0.81;;-0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM454428;MM454428;C#CCC#CCCC#CC;KUAIIRWSWUDSBP-UHFFFAOYSA-N;130.19;1.82;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4_C3";;;;;;;3.9;;0.47;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM454429;MM454429;COC(=N)NC(C#N)CF;UJRPYNIBKZHGMH-UHFFFAOYSA-N;145.14;0.02;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_Na";;;;;;;-0.24;;-3.24;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM454430;MM454430;CC#CCCC#CC=CC;XMCHNMCNNIDQPI-UHFFFAOYSA-N;132.21;2.37;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1_C4";;;;;;;4.24;;0.42;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM454431;MM454431;C#CC1(C#C)ONC(=N)O1;SANJARYZZJELGG-UHFFFAOYSA-N;136.11;-0.56;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP2_SP1";;;;;;;-1.06;;-3.82;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM454432;MM454432;CC#CCCC#CC=NN;XXUJMJHFHSUQQK-UHFFFAOYSA-N;134.18;0.74;;;;;DOPC;MDCG;27;0;"MARTINI bead: C3_P1";;;;;;;1.74;;0.29;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM454433;MM454433;CC=NNCCC(=O)CC;JKSPIXRBFLSDDP-UHFFFAOYSA-N;142.2;0.95;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_Nd";;;;;;;0.87;;-1.88;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM454434;MM454434;CC#CC#CCCC#CC;PGVIOFWUGJMLHU-UHFFFAOYSA-N;130.19;1.82;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4_C1";;;;;;;4.24;;0.42;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM454435;MM454435;CCC(=O)C=NOCC#N;OFLOJUGFIXSDSC-UHFFFAOYSA-N;140.14;0.49;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_Na";;;;;;;0.87;;-2.22;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM454436;MM454436;CCC=CCC#CCCC;URJOUPDUUKOSPN-UHFFFAOYSA-N;136.24;3.15;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1_C3";;;;;;;4.61;;0.31;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM454437;MM454437;OCC1=NN=C(NO)ON1;NZCNHGYDMSLEKY-UHFFFAOYSA-N;146.11;-1.84;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP1_SP2";;;;;;;-1.06;;-3.82;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM454438;MM454438;CCC=CCC#CCCN;DPUXJOIZFWHREV-UHFFFAOYSA-N;137.23;1.69;;;;;DOPC;MDCG;27;1;"MARTINI bead: C3_C5";;;;;;;3.34;;0.51;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM454439;MM454439;NCC=CCC#CCCN;BPELDXOZYDCUMH-UHFFFAOYSA-N;138.21;0.24;;;;;DOPC;MDCG;27;1;"MARTINI bead: C5_P1";;;;;;;0.81;;-3.13;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM454440;MM454440;FC=C(F)C=NNCCF;LROOWUVGHQYVHS-UHFFFAOYSA-N;152.12;1.31;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_C5";;;;;;;0.81;;-0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM454441;MM454441;NCCC#CCC=CCO;OJCUXGOAZIEIBI-UHFFFAOYSA-N;139.2;0.28;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_Nda";;;;;;;0.87;;-4.36;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM454442;MM454442;C=NNCC#CC(=C)C#N;AOJMVECOFXHRKO-UHFFFAOYSA-N;133.15;0.27;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_N0";;;;;;;0.34;;-1.53;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM454443;MM454443;OCC=CCC#CCCF;AYDGHHPDWAUATM-UHFFFAOYSA-N;142.17;1.29;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda_Na";;;;;;;0.87;;-1.99;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM454444;MM454444;CCC=NOCC#CC#N;XLBPIZDGZJLMPS-UHFFFAOYSA-N;136.15;0.93;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_N0";;;;;;;1.17;;-1.18;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM454445;MM454445;CCCC#CCC=CCF;HUVDOAZVLOCZHC-UHFFFAOYSA-N;140.2;2.71;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1_Na";;;;;;;2.91;;0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM454446;MM454446;C=CC=NOCC#CC#N;LTVJXPOYKCJEGB-UHFFFAOYSA-N;134.14;0.7;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_N0";;;;;;;1.17;;-1.18;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM454447;MM454447;NCCC#CCC=CCF;VWFQMXVIGFKCDF-UHFFFAOYSA-N;141.19;1.25;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_C4";;;;;;;2.2;;-1.87;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM454448;MM454448;CNC1=NOC(C=O)=NO1;NCSLUGLPBOQKPN-UHFFFAOYSA-N;143.1;-0.96;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP1_SP1";;;;;;;-0.79;;-3.13;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM454449;MM454449;CNCC#CCC=CCN;BIKZRFUNOPXLDH-UHFFFAOYSA-N;138.21;0.11;;;;;DOPC;MDCG;27;1;"MARTINI bead: C5_P1";;;;;;;0.81;;-2.85;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM454450;MM454450;C=NOC(=N)NN(C)C;ARANMXGLSORXMI-UHFFFAOYSA-N;130.15;-0.38;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_P1";;;;;;;-1.06;;-3.82;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM454451;MM454451;COCC#CCC=CCF;AEHDKXIJKODCOC-UHFFFAOYSA-N;142.17;1.55;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_C4";;;;;;;2.2;;0.34;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM454452;MM454452;C=NNCCC(=O)CC;MOZFDZUWWUFCIP-UHFFFAOYSA-N;128.18;0.56;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_Nd";;;;;;;0.87;;-1.88;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM454453;MM454453;CCCC#CCC=COC;AVEBVVUHOYIPQX-UHFFFAOYSA-N;138.21;2.34;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1_Na";;;;;;;2.91;;0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM454454;MM454454;C#CC1(NC)C=NNC1;HMPOMBZEYIRQNP-UHFFFAOYSA-N;123.16;-0.83;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP2_SP1";;;;;;;-1.06;;-3.82;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM454455;MM454455;CNCC#CCC=COC;BAADIHAMLFKKLZ-UHFFFAOYSA-N;139.2;0.76;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_Na";;;;;;;0.87;;-3.61;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM454456;MM454456;CNC1=NN=C(NO)NO1;DNSNURKKDZWMLZ-UHFFFAOYSA-N;145.12;-1.65;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP2_SP2";;;;;;;-1.34;;-4.31;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM454457;MM454457;COC=CCC#CCOC;HBPUQBBRSPNJKZ-UHFFFAOYSA-N;140.18;1.19;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_C5";;;;;;;1.64;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM454458;MM454458;C=CC1=CC=C(CC)CC1;AWTKBMCQWQRULC-UHFFFAOYSA-N;134.22;3.23;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC1_SC4";;;;;;;4.24;;0.42;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM454459;MM454459;CCC1=CC=C(C=O)CC1;ZIUFBQZXNISNAQ-UHFFFAOYSA-N;136.19;2.24;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC1_SNa";;;;;;;2.91;;0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM454460;MM454460;CCCC#CCC=NNC;WDCGKHQXIJGRMU-UHFFFAOYSA-N;138.21;1.39;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1_P2";;;;;;;1.8;;0.4;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM454461;MM454461;CCC1=CC=C(C#N)CC1;JQNPHDLTFSEMHB-UHFFFAOYSA-N;133.19;2.57;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC1_SC5";;;;;;;3.68;;0.46;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM454462;MM454462;CNN=CCC#CCCN;JXCGDJXNDSCJBI-UHFFFAOYSA-N;139.2;-0.07;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_Nd";;;;;;;0.87;;-4.56;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM454463;MM454463;C=CC1=CC=C(CN)CC1;OFGMFGVUURUZDR-UHFFFAOYSA-N;135.21;1.78;;;;;DOPC;MDCG;27;1;"MARTINI bead: SNd_SC4";;;;;;;2.2;;-1.66;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM454464;MM454464;CCCC#CCC=NOC;LEERTHVBMLCQRC-UHFFFAOYSA-N;139.2;1.81;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1_P1";;;;;;;2.08;;0.48;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM454465;MM454465;C=NNCC#CC=CF;UIYWTZGJOHFGPG-UHFFFAOYSA-N;126.13;0.68;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_P1";;;;;;;0.81;;-0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM454466;MM454466;COCC#CCC=NOC;JMZITVSBPCMTEB-UHFFFAOYSA-N;141.17;0.66;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_P1";;;;;;;0.81;;-0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM454467;MM454467;CC=NOC(=N)NN(C)C;UNCSUBYRXSYRII-UHFFFAOYSA-N;144.18;0.01;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_P1";;;;;;;-0.79;;-3.13;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM454468;MM454468;C=CCC#CCC=CCC;ULIDCRDXYGMQOH-UHFFFAOYSA-N;134.22;2.92;;;;;DOPC;MDCG;27;0;"MARTINI bead: C3_C1";;;;;;;4.61;;0.31;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM454469;MM454469;CC=NNCC(F)(F)C=O;ZUIJHEUTWMTHEL-UHFFFAOYSA-N;150.13;0.42;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nd_Na";;;;;;;0.87;;-1.88;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM454470;MM454470;CCC=CCC#CCC#N;RSHMLPSQIFEHMS-UHFFFAOYSA-N;133.19;2.26;;;;;DOPC;MDCG;27;0;"MARTINI bead: C3_N0";;;;;;;2.87;;0.37;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM454471;MM454471;C=CC1=CC=C(CF)CC1;PKAODMMZLMQCRP-UHFFFAOYSA-N;138.19;2.79;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC4_SC4";;;;;;;3.53;;0.53;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM454472;MM454472;C=CCC#CCC=CCN;IGNNHFBHMXSVAE-UHFFFAOYSA-N;135.21;1.47;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1_C1";;;;;;;2.08;;-0.65;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM454473;MM454473;O=CC1=CC=C(CF)CC1;BNYVIBHNRNKZDA-UHFFFAOYSA-N;140.16;1.8;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC4_SNa";;;;;;;2.2;;0.34;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM454474;MM454474;C=CCC#CCC=CCO;KVKBKGKGIQHZHF-UHFFFAOYSA-N;136.19;1.5;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda_C3";;;;;;;2.57;;0.44;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM454475;MM454475;N#CC1=CC=C(CF)CC1;ZFJGWXOVLVIRFW-UHFFFAOYSA-N;137.16;2.13;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC4_SC5";;;;;;;2.97;;0.45;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM454476;MM454476;N#CCC#CCC=CCF;VBQOKHQASRAABQ-UHFFFAOYSA-N;137.16;1.82;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_N0";;;;;;;1.17;;-1.18;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM454477;MM454477;C=CC1=CC=C(OC)CC1;SZTCTPPZPLSXRU-UHFFFAOYSA-N;136.19;2.42;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC5_SC4";;;;;;;2.97;;0.45;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM454478;MM454478;C=CCC#CCC=COC;MWXMNLHWIHOHMF-UHFFFAOYSA-N;136.19;2.12;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_C3";;;;;;;2.57;;0.45;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM454479;MM454479;COC1=CC=C(C=O)CC1;LCHMLNTWDGOUNG-UHFFFAOYSA-N;138.17;1.44;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC5_SNa";;;;;;;1.64;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM454480;MM454480;COC=CCC#CCC=O;UCZLJCMMIJEWCE-UHFFFAOYSA-N;138.17;1.13;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_Na";;;;;;;1.64;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM454481;MM454481;COC1=CC=C(C#N)CC1;KUNVTOXJJUGXCK-UHFFFAOYSA-N;135.17;1.76;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC5_SC5";;;;;;;2.41;;0.64;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM454482;MM454482;COC=CCC#CCC#N;FFIDVKZMNZUJFE-UHFFFAOYSA-N;135.17;1.45;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_N0";;;;;;;1.17;;-1.18;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM454483;MM454483;C=CC1=CC=C(CC)CO1;QHUQHCNKKFLTES-UHFFFAOYSA-N;136.19;2.42;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC5_SC5";;;;;;;2.41;;0.64;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM454484;MM454484;C=CCC#CCC=NNC;CJUQZZHIDDCTEC-UHFFFAOYSA-N;136.2;1.16;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_C3";;;;;;;1.46;;-0.15;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM454485;MM454485;C=CC1=CC=C(CF)CO1;LIMUMJYLQNZUAM-UHFFFAOYSA-N;140.16;1.98;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC5_SC5";;;;;;;2.41;;0.64;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM454486;MM454486;N#CCNC(=N)C(F)=CF;FDCLSYWDIWOQGH-UHFFFAOYSA-N;145.11;0.86;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_P2";;;;;;;0.54;;-1.09;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM454487;MM454487;O=CC1=CC=C(CF)CO1;UMYWNICFNINYRG-UHFFFAOYSA-N;142.13;1;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC5_SNa";;;;;;;1.64;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM454488;MM454488;N#CC(F)=C(N)NCCF;QVHJUXFTIZMKPU-UHFFFAOYSA-N;147.13;0.17;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_C5";;;;;;;0.81;;-0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM454489;MM454489;C=CC1=NN=C(CC)CC1;SPDFCAYFVRJDNG-UHFFFAOYSA-N;136.2;2.17;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC5_SC5";;;;;;;2.41;;0.64;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM454490;MM454490;C=CCC#CCC=NOC;ALVFXKGGLYDOKG-UHFFFAOYSA-N;137.18;1.59;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_C3";;;;;;;1.74;;0.29;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM454491;MM454491;CCC1=NN=C(C=O)CC1;QNWGEPNAOCVKSO-UHFFFAOYSA-N;138.17;1.19;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC5_SNa";;;;;;;1.64;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM454492;MM454492;COCCNNC(=N)C#N;XMSIPZUGPIEWHP-UHFFFAOYSA-N;142.16;-0.77;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_P2";;;;;;;-1.34;;-4.31;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM454493;MM454493;CCC1=NN=C(C#N)CC1;JZYUZKBEUKHZGK-UHFFFAOYSA-N;135.17;1.51;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC5_SN0";;;;;;;1.94;;0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM454494;MM454494;C#CCC#CCC=CCC;KPASUNAQRLDODP-UHFFFAOYSA-N;132.21;2.37;;;;;DOPC;MDCG;27;0;"MARTINI bead: C3_C3";;;;;;;4.27;;0.2;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM454495;MM454495;C=CC1=NN=C(CO)CC1;FGHAZHSTOPIUCT-UHFFFAOYSA-N;138.17;0.76;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNda_SC5";;;;;;;1.64;;0.05;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM454496;MM454496;C#CCC#CCC=CCN;ZHVJIEHIYMCQEO-UHFFFAOYSA-N;133.19;0.92;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1_C1";;;;;;;2.08;;-0.65;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM454497;MM454497;O=CC1=NN=C(CO)CC1;HEOCJOABLCEZTI-UHFFFAOYSA-N;140.14;-0.23;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNda_SNa";;;;;;;0.87;;-1.99;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM454498;MM454498;C#CCC#CCC=CCO;OJPRLMNZJULZSH-UHFFFAOYSA-N;134.18;0.95;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_C1";;;;;;;2.08;;0.48;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM454499;MM454499;N#CC1=NN=C(CO)CC1;HAFVRCVNYPAEEP-UHFFFAOYSA-N;137.14;0.09;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNda_SN0";;;;;;;1.17;;-1.13;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM454500;MM454500;C#CCC#CCC=CCF;FGZUOWSIXIDLJM-UHFFFAOYSA-N;136.17;1.93;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_C1";;;;;;;3.68;;0.46;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM454501;MM454501;C=CC1=NN=C(CF)CC1;MNFKEEDPNQEBHS-UHFFFAOYSA-N;140.16;1.73;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNa_SC5";;;;;;;1.64;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM454502;MM454502;C#CCC#CCC=COC;NNLOUFVJEFPGDK-UHFFFAOYSA-N;134.18;1.56;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_C3";;;;;;;2.57;;0.45;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM454503;MM454503;O=CC1=NN=C(CF)CC1;INKWIKODBIXGCJ-UHFFFAOYSA-N;142.13;0.75;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNa_SNa";;;;;;;0.87;;-2.22;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM454504;MM454504;C#CCC#CCC=NNC;IZJUQNIKOTYHFW-UHFFFAOYSA-N;134.18;0.61;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_C3";;;;;;;1.46;;-0.15;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM454505;MM454505;N#CC1=NN=C(CF)CC1;OUCCCECEZVMLBU-UHFFFAOYSA-N;139.13;1.07;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNa_SN0";;;;;;;1.17;;-1.18;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM454506;MM454506;C#CCC#CCC=NOC;SWYCFWKXZXGLHL-UHFFFAOYSA-N;135.17;1.04;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_C3";;;;;;;1.74;;0.29;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM454507;MM454507;C=CC1=NN=C(OC)CC1;IASLNHLYYRZMLR-UHFFFAOYSA-N;138.17;1.37;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNa_SC5";;;;;;;1.64;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM454508;MM454508;C=CC=CCC#CCCC;JWPYQRYVXAATON-UHFFFAOYSA-N;134.22;2.92;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1_C4";;;;;;;4.24;;0.42;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM454509;MM454509;COC1=NN=C(C=O)CC1;DSIXPLWRWKZNCU-UHFFFAOYSA-N;140.14;0.38;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNa_SNa";;;;;;;0.87;;-2.22;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM454510;MM454510;C=CC=CCC#CCCN;MJLUAKYGJIKHBL-UHFFFAOYSA-N;135.21;1.47;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_C1";;;;;;;2.91;;-0.24;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM454511;MM454511;COC1=NN=C(C#N)CC1;GWFHVOUKVJSWKP-UHFFFAOYSA-N;137.14;0.7;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNa_SN0";;;;;;;1.17;;-1.18;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM454512;MM454512;C=CC=CCC#CCCO;GONQHAWFILBZSX-UHFFFAOYSA-N;136.19;1.5;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda_C1";;;;;;;2.91;;0.57;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM454513;MM454513;CCC(F)CC(=O)N(C)C;JIDDXSSKROTSFF-UHFFFAOYSA-N;147.19;1.21;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4_P2";;;;;;;1.09;;-0.38;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM454514;MM454514;CCCC#CCC=CC#N;IDFDYGLHKKFONM-UHFFFAOYSA-N;133.19;2.26;;;;;DOPC;MDCG;27;0;"MARTINI bead: C3_N0";;;;;;;2.87;;0.37;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM454515;MM454515;O=CC1=NN=C(CO)CN1;OLKRHZUVOLZGRW-UHFFFAOYSA-N;141.13;-1.46;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP2_SNda";;;;;;;-0.24;;-3.31;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM454516;MM454516;O=CC=CCC#CCCO;BSKGCALJYCHAAE-UHFFFAOYSA-N;138.17;0.52;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda_Na";;;;;;;0.87;;-1.99;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM454517;MM454517;O=CC1=CN=C(CF)NC1;XVAGJBOHTMZNSM-UHFFFAOYSA-N;142.13;0.04;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNda_SP2";;;;;;;-0.24;;-3.31;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM454518;MM454518;C=CC=CCC#CCNC;ABEYSUCIJYXIKK-UHFFFAOYSA-N;135.21;1.34;;;;;DOPC;MDCG;27;1;"MARTINI bead: P2_C1";;;;;;;1.8;;-0.64;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM454519;MM454519;CNC1=NC=C(C=O)CN1;ZZEAYSUQHVMRDI-UHFFFAOYSA-N;139.16;-0.75;;;;;DOPC;MDCG;27;1;"MARTINI bead: SP1_SP2";;;;;;;-1.06;;-7.86;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM454520;MM454520;CNCC#CCC=CC=O;XGUJFGZLCSZHDP-UHFFFAOYSA-N;137.18;0.35;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_Na";;;;;;;0.87;;-3.51;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM454521;MM454521;O=CC1=CN=C(NO)NC1;SETNLISSNKCTJW-UHFFFAOYSA-N;141.13;-0.99;;;;;DOPC;MDCG;27;1;"MARTINI bead: SP2_SP2";;;;;;;-1.34;;-6.28;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM454522;MM454522;C#CC(C)NC(=N)C(F)F;LEGIYDSNBPRPMB-UHFFFAOYSA-N;146.14;0.84;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_P1";;;;;;;0.81;;-0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM454523;MM454523;C=NN=CCC#CCCC;YFLXIGICDOSSTG-UHFFFAOYSA-N;136.2;1.87;;;;;DOPC;MDCG;27;0;"MARTINI bead: C3_C5";;;;;;;3.34;;0.48;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM454524;MM454524;C=NN=CCC#CCCN;WFNSMFPNAMIOHV-UHFFFAOYSA-N;137.19;0.42;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_C5";;;;;;;1.64;;-2.34;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM454525;MM454525;C=NNC(C)C#CC(=C)F;UATISKUEXOECSL-UHFFFAOYSA-N;140.16;1.07;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nd_C5";;;;;;;1.64;;0.02;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM454526;MM454526;CNC(=NCCF)OC=O;CEICHZADLFWBFW-UHFFFAOYSA-N;148.14;-0.3;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_Na";;;;;;;0.04;;-2.54;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM454527;MM454527;CC#CC1(C)CC(C)=NN1;TYGGXVZYHHEDOZ-UHFFFAOYSA-N;136.2;1.14;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNd_SP1";;;;;;;0.04;;-2.63;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM454528;MM454528;C=NN=CCC#CCCF;UJXBUHOWWPYGTN-UHFFFAOYSA-N;140.16;1.43;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_C5";;;;;;;1.64;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM454529;MM454529;C=CCC=NNCC(F)F;IFZYLIBJLHGPPW-UHFFFAOYSA-N;148.16;1.4;;;;;DOPC;MDCG;27;0;"MARTINI bead: N0_Nd";;;;;;;1.17;;-1.04;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM454530;MM454530;C=NN=CCC#CCNC;AZBTWMMBAOQOOP-UHFFFAOYSA-N;137.19;0.29;;;;;DOPC;MDCG;27;1;"MARTINI bead: P2_C5";;;;;;;0.54;;-2.8;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM454531;MM454531;C#CCNN=CCC(=C)F;FWDIROJIPGFLMK-UHFFFAOYSA-N;140.16;1.07;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_P1";;;;;;;0.81;;-0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM454532;MM454532;C=CC=CCC#CCC=C;YLNFNZGAYXCFAI-UHFFFAOYSA-N;132.21;2.7;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_C1";;;;;;;3.68;;0.46;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM454533;MM454533;C#CCNN=CC=C(C)F;JWDUCJTTWBTYFT-UHFFFAOYSA-N;140.16;1.07;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_P1";;;;;;;0.81;;-0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM454534;MM454534;C=CC=CCC#CCC#N;NZMYVHOTJOQRPU-UHFFFAOYSA-N;131.18;2.04;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4_N0";;;;;;;2.5;;0.44;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM454535;MM454535;Cn1nc(NC=N)nc1N;LRHWCRUFWRTJES-UHFFFAOYSA-N;140.15;-0.58;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP2_SP2";;;;;;;-1.34;;-4.31;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM454536;MM454536;C=CCC#CCC=CC=O;DVBQWBXOWXMWDN-UHFFFAOYSA-N;134.18;1.71;;;;;DOPC;MDCG;27;0;"MARTINI bead: C3_Na";;;;;;;2.57;;0.45;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM454537;MM454537;C=CC1=CC=C(CN)OC1;JDSJOIJADFZAOZ-UHFFFAOYSA-N;137.18;0.97;;;;;DOPC;MDCG;27;1;"MARTINI bead: SNda_SC5";;;;;;;1.64;;-1.32;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM454538;MM454538;C=CCC#CCC=CC#N;CKLRNMISCYXBDJ-UHFFFAOYSA-N;131.18;2.04;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_N0";;;;;;;1.94;;0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM454539;MM454539;C=CC1=CC=C(CO)OC1;VGNYIASOBYJCNY-UHFFFAOYSA-N;138.17;1.01;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNda_SC5";;;;;;;1.64;;0.05;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM454540;MM454540;O=CC=CCC#CCC=O;UZPYUDVVDBFPCF-UHFFFAOYSA-N;136.15;0.72;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_Na";;;;;;;1.64;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM454541;MM454541;COC(=CF)NC(=N)CF;WCLWNJSAOBAFMP-UHFFFAOYSA-N;150.13;0.94;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda_Na";;;;;;;0.87;;-1.99;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM454542;MM454542;N#CCC#CCC=CC=O;FWKXTRIKNZUPSV-UHFFFAOYSA-N;133.15;1.05;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_N0";;;;;;;1.17;;-1.18;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM454543;MM454543;CCC1=NN=C(C=O)CO1;SGLHXGGHQQOHGJ-UHFFFAOYSA-N;140.14;0.38;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNa_SNa";;;;;;;0.87;;-2.22;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM454544;MM454544;N#CC=CCC#CCC=O;RIBWAUDPCIWGET-UHFFFAOYSA-N;133.15;1.05;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_N0";;;;;;;1.17;;-1.18;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM454545;MM454545;C#CC1=CC=C(CC)CC1;FVCTYJLKIVGTJT-UHFFFAOYSA-N;132.21;2.68;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC1_SC4";;;;;;;4.24;;0.42;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM454546;MM454546;C=CCC#CCC=NN=C;QQDWLTNLBBKDSA-UHFFFAOYSA-N;134.18;1.64;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_C5";;;;;;;2.41;;0.64;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM454547;MM454547;C#CC1=CC=C(CN)CC1;ZDPIVXQAWWDITB-UHFFFAOYSA-N;133.19;1.22;;;;;DOPC;MDCG;27;1;"MARTINI bead: SNd_SC4";;;;;;;2.2;;-1.66;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM454548;MM454548;CN=CNC(C#N)=C(C)F;DGTHPAGMJVGKBU-UHFFFAOYSA-N;141.15;0.96;;;;;DOPC;MDCG;27;0;"MARTINI bead: N0_Nda";;;;;;;1.17;;-1.13;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM454549;MM454549;C=NN=CCC#CCC#N;NZGWZNIRZFZLRQ-UHFFFAOYSA-N;133.15;0.98;;;;;DOPC;MDCG;27;0;"MARTINI bead: N0_N0";;;;;;;1.47;;-0.05;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM454550;MM454550;COCOC(=N)NOC=O;CJPOYFPFRJXRPI-UHFFFAOYSA-N;148.12;-0.78;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_P2";;;;;;;-1.34;;-4.31;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM454551;MM454551;C#CCC#CCC=CC=C;XMYWMQLFNRCHAW-UHFFFAOYSA-N;130.19;2.15;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4_C1";;;;;;;4.24;;0.42;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM454552;MM454552;C#CC1=CC=C(CF)CC1;SDYFETBXJGBLHO-UHFFFAOYSA-N;136.17;2.24;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC4_SC4";;;;;;;3.53;;0.53;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM454553;MM454553;C#CCC#CCC=CC=O;SYPBTAOOISSPFF-UHFFFAOYSA-N;132.16;1.16;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_C1";;;;;;;2.91;;0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM454554;MM454554;C#CC1=CC=C(OC)CC1;ARQNXLQZUFCKJF-UHFFFAOYSA-N;134.18;1.87;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC5_SC4";;;;;;;2.97;;0.45;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM454555;MM454555;C#CC1=NN=C(CC)CC1;BIMBLCKZFNOCSR-UHFFFAOYSA-N;134.18;1.62;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC5_SN0";;;;;;;1.94;;0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM454556;MM454556;C#CCC#CCC=CC#N;IOBVMUKPPCBGAE-UHFFFAOYSA-N;129.16;1.48;;;;;DOPC;MDCG;27;0;"MARTINI bead: N0_N0";;;;;;;1.47;;-0.05;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM454557;MM454557;C#CCC#CCC=NN=C;BJHNMGRJCKDQSD-UHFFFAOYSA-N;132.17;1.09;;;;;DOPC;MDCG;27;0;"MARTINI bead: N0_C3";;;;;;;2.87;;0.37;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM454558;MM454558;C#CC1=NN=C(CO)CC1;XXWVESDFFIEASR-UHFFFAOYSA-N;136.15;0.2;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNda_SN0";;;;;;;1.17;;-1.13;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM454559;MM454559;C#CC=CCC#CCCC;UNAOIGDLUVIZPG-UHFFFAOYSA-N;132.21;2.37;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1_N0";;;;;;;3.21;;0.46;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM454560;MM454560;C#CC1=NN=C(CF)CC1;HPSFYSPLZHMLQZ-UHFFFAOYSA-N;138.15;1.18;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNa_SN0";;;;;;;1.17;;-1.18;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM454561;MM454561;C#CC1=NN=C(OC)CC1;AQIOWTFZTZIDRS-UHFFFAOYSA-N;136.15;0.81;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNa_SN0";;;;;;;1.17;;-1.18;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM454562;MM454562;C#CC=CCC#CCCN;BHEYYLAQODKIJN-UHFFFAOYSA-N;133.19;0.92;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_C4";;;;;;;2.2;;-1.87;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM454563;MM454563;C#CC=CCC#CCCO;IOIUPZCQRHLPTE-UHFFFAOYSA-N;134.18;0.95;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda_C4";;;;;;;2.2;;0.49;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM454564;MM454564;C=CC1=CC=C(C=C)CC1;BLYIYAZNWQKZCC-UHFFFAOYSA-N;132.21;3.01;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC4_SC4";;;;;;;3.53;;0.53;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM454565;MM454565;C#CC=CCC#CCNC;LXRXPRKKMZKJEN-UHFFFAOYSA-N;133.19;0.79;;;;;DOPC;MDCG;27;1;"MARTINI bead: P2_C4";;;;;;;1.09;;-2.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM454566;MM454566;C=CC1=CC=C(C=O)CC1;MAVKPPHJRKZXKP-UHFFFAOYSA-N;134.18;2.02;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC4_SNa";;;;;;;2.2;;0.34;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM454567;MM454567;C#CC=CCC#CCOC;ASULZTCLFKIHFP-UHFFFAOYSA-N;134.18;1.22;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_C4";;;;;;;2.2;;0.34;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM454568;MM454568;C=CC1=CC=C(C#N)CC1;NDHLBDWBYQKLSF-UHFFFAOYSA-N;131.18;2.34;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC4_SC5";;;;;;;2.97;;0.45;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM454569;MM454569;C#CC=CCC#CCC=C;KDGJPBJZPHPMBE-UHFFFAOYSA-N;130.19;2.15;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_C4";;;;;;;2.97;;0.45;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM454570;MM454570;O=CC1=CC=C(C=O)CC1;NLMUKFSRPWQDSF-UHFFFAOYSA-N;136.15;1.03;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNa_SNa";;;;;;;0.87;;-2.22;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM454571;MM454571;C#CC=CCC#CCC=O;YNPUBKFYXBVSHX-UHFFFAOYSA-N;132.16;1.16;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_C4";;;;;;;2.2;;0.34;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM454572;MM454572;N#CC1=CC=C(C=O)CC1;SZVRDWHMBNOBIE-UHFFFAOYSA-N;133.15;1.36;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNa_SC5";;;;;;;1.64;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM454573;MM454573;C#CC=CCC#CCC#N;MRSGURJMPUFRAL-UHFFFAOYSA-N;129.16;1.48;;;;;DOPC;MDCG;27;0;"MARTINI bead: N0_N0";;;;;;;1.47;;-0.05;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM454574;MM454574;N#CC1=CC=C(C#N)CC1;MJSAGBDZTNHJAB-UHFFFAOYSA-N;130.15;1.68;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC5_SC5";;;;;;;2.41;;0.64;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM454575;MM454575;C=CC1=CC=C(C=C)OC1;PHLPTAWLZGPKGS-UHFFFAOYSA-N;134.18;2.2;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC5_SC5";;;;;;;2.41;;0.64;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM454576;MM454576;C#CC=CCC#CCC#C;MEKMHCVACBALCN-UHFFFAOYSA-N;128.17;1.59;;;;;DOPC;MDCG;27;0;"MARTINI bead: C3_N0";;;;;;;2.87;;0.37;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM454577;MM454577;CC=CC#CCC=CCC;UHBSJNLSXBRVOM-UHFFFAOYSA-N;134.22;2.92;;;;;DOPC;MDCG;27;0;"MARTINI bead: C3_C1";;;;;;;4.61;;0.31;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM454578;MM454578;C=CC1=NN=C(C=C)CC1;DVPGXJGHIGJPQU-UHFFFAOYSA-N;134.18;1.95;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC5_SC5";;;;;;;2.41;;0.64;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM454579;MM454579;CCC=CCC#CC=CF;XQZIDAMAGFBPSX-UHFFFAOYSA-N;138.19;2.83;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1_C5";;;;;;;3.68;;0.46;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM454580;MM454580;C=CC1=NN=C(C=O)CC1;UENLXBFSMGFAFN-UHFFFAOYSA-N;136.15;0.96;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC5_SNa";;;;;;;1.64;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM454581;MM454581;CC=CC#CCC=CCN;IRAXQHTYTSKEOH-UHFFFAOYSA-N;135.21;1.47;;;;;DOPC;MDCG;27;1;"MARTINI bead: C4_Nd";;;;;;;2.2;;-1.67;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM454582;MM454582;C=CC1=NN=C(C#N)CC1;OJSAREXKCNIKHU-UHFFFAOYSA-N;133.15;1.29;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC5_SN0";;;;;;;1.94;;0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM454583;MM454583;CC=CC#CCC=CCO;XRUREESJYRUGON-UHFFFAOYSA-N;136.19;1.5;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1_Nda";;;;;;;2.91;;0.57;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM454584;MM454584;O=CC1=NN=C(C=O)CC1;AHUWFEKYFRVNEV-UHFFFAOYSA-N;138.13;-0.03;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNa_SNa";;;;;;;0.87;;-2.22;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM454585;MM454585;CC=CC#CCC=CCF;OTARROUBJSWZJA-UHFFFAOYSA-N;138.19;2.48;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1_Na";;;;;;;2.91;;0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM454586;MM454586;N#CC1=NN=C(C=O)CC1;QLSRUXZJBJAZGG-UHFFFAOYSA-N;135.13;0.3;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNa_SN0";;;;;;;1.17;;-1.18;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM454587;MM454587;CCC=CCC#CC=NN;ZFKHQIFCUDZJHI-UHFFFAOYSA-N;136.2;1.29;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1_P1";;;;;;;2.08;;0.48;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM454588;MM454588;N#CC1=NN=C(C#N)CC1;WQYLEYYEDUVZIR-UHFFFAOYSA-N;132.13;0.62;;;;;DOPC;MDCG;27;0;"MARTINI bead: SN0_SN0";;;;;;;1.47;;-0.05;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM454589;MM454589;CCC=CCC#CC=NO;RLIJTBYXNAPNSC-UHFFFAOYSA-N;137.18;1.81;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1_P1";;;;;;;2.08;;0.48;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM454590;MM454590;CC=NNC(C)C#CC#N;KJPYXCXJROUQKN-UHFFFAOYSA-N;135.17;0.5;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nd_N0";;;;;;;1.17;;-1.04;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM454591;MM454591;CC=CC#CCC=COC;WQBAHNQETZJWPE-UHFFFAOYSA-N;136.19;2.12;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_C1";;;;;;;2.91;;0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM454592;MM454592;C=CC1=NN=C(C=O)OC1;BCJNSANOTPFVDU-UHFFFAOYSA-N;138.13;0.16;;;;;DOPC;MDCG;27;0;"MARTINI bead: SN0_SNa";;;;;;;1.17;;-1.18;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM454593;MM454593;COC=CCC#CC=NN;PGEDTWNHVKZSRI-UHFFFAOYSA-N;138.17;0.48;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_P1";;;;;;;0.81;;-0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM454594;MM454594;C=CC1=NN=C(C=O)CO1;YJALCHIFCXIAIB-UHFFFAOYSA-N;138.13;0.16;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNa_SNa";;;;;;;0.87;;-2.22;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM454595;MM454595;C#CC1=CC=C(C=C)CC1;ZRTVTWCFKFWSKR-UHFFFAOYSA-N;130.19;2.45;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC4_SC4";;;;;;;3.53;;0.53;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM454596;MM454596;COC=CCC#CC=NO;JYTPXWPTEXNXGB-UHFFFAOYSA-N;139.15;1;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_P1";;;;;;;0.81;;-0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM454597;MM454597;C#CC1=CC=C(C=O)CC1;PFLCTTFIBXGHHH-UHFFFAOYSA-N;132.16;1.47;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNa_SC4";;;;;;;2.2;;0.34;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM454598;MM454598;CC=CC#CCC=NNC;RTALHKWBGCDQEB-UHFFFAOYSA-N;136.2;1.16;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_C1";;;;;;;1.8;;0.4;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM454599;MM454599;C#CC1=CC=C(C#N)CC1;KMRVIZYEJKKVSQ-UHFFFAOYSA-N;129.16;1.79;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC4_SC5";;;;;;;2.97;;0.45;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM454600;MM454600;CC=CC#CCC=NOC;AUAXAWRXDXLXSZ-UHFFFAOYSA-N;137.18;1.59;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_C1";;;;;;;2.08;;0.48;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM454601;MM454601;C#CC1=NN=C(C=C)CC1;QQEAUIVGHAVVIV-UHFFFAOYSA-N;132.17;1.4;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC5_SN0";;;;;;;1.94;;0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM454602;MM454602;CON=CCC#CC=NN;MEPSFFFHLXISMN-UHFFFAOYSA-N;139.16;-0.04;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_Nd";;;;;;;0.87;;-1.88;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM454603;MM454603;C=CC=CCC#CC=CC;BPLHDSGGLKEYND-UHFFFAOYSA-N;132.21;2.7;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1_C4";;;;;;;4.24;;0.42;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM454604;MM454604;C#CC1=NN=C(C=O)CC1;DWNYYRGHECBPBB-UHFFFAOYSA-N;134.14;0.41;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNa_SN0";;;;;;;1.17;;-1.18;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM454605;MM454605;CC=CC#CCC=CC=O;HXPLAULWKIATCX-UHFFFAOYSA-N;134.18;1.71;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1_Na";;;;;;;2.91;;0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM454606;MM454606;C#CC1=NN=C(C#N)CC1;HJZDWBKMBNUCSK-UHFFFAOYSA-N;131.14;0.73;;;;;DOPC;MDCG;27;0;"MARTINI bead: SN0_SN0";;;;;;;1.47;;-0.05;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM454607;MM454607;CC=CC#CCC=CC#N;JIBRMEVBBSVJTJ-UHFFFAOYSA-N;131.18;2.04;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1_N0";;;;;;;3.21;;0.46;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM454608;MM454608;C#CC1=CC=C(C#C)CC1;JQSRPSPXSGIWSI-UHFFFAOYSA-N;128.17;1.9;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC4_SC4";;;;;;;3.53;;0.53;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM454609;MM454609;O=CC=CCC#CC=CF;UOCDWKSNINPVIS-UHFFFAOYSA-N;138.14;1.62;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_Na";;;;;;;1.64;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM454610;MM454610;C#CC1=NN=C(C#C)CC1;QJUCUPFSTODHSU-UHFFFAOYSA-N;130.15;0.84;;;;;DOPC;MDCG;27;0;"MARTINI bead: SN0_SN0";;;;;;;1.47;;-0.05;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM454611;MM454611;N#CC=CCC#CC=CF;SOIFWMXXIBPUSJ-UHFFFAOYSA-N;135.14;1.94;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_N0";;;;;;;1.94;;0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM454612;MM454612;CCc1ccc(CF)cc1;VTMKRSTVFYXWQK-UHFFFAOYSA-N;138.19;2.72;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC3_SC4";;;;;;;3.9;;0.47;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM454613;MM454613;C=CC=CCC#CC=NN;OHFAKNQIHJEODI-UHFFFAOYSA-N;134.18;1.07;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_C4";;;;;;;2.97;;0.45;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM454614;MM454614;OCc1ccc(CO)cc1;BWVAOONFBYYRHY-UHFFFAOYSA-N;138.17;0.67;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNda_SNda";;;;;;;0.87;;-2.07;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM454615;MM454615;C=NN=CCC#CC=CC;YZWTTWAWYUUKAW-UHFFFAOYSA-N;134.18;1.64;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1_N0";;;;;;;3.21;;0.46;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM454616;MM454616;CNc1ccc(CN)cc1;IEBOWSYQQIAQHO-UHFFFAOYSA-N;136.2;1.19;;;;;DOPC;MDCG;27;1;"MARTINI bead: SC5_SNd";;;;;;;1.64;;-1.91;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM454617;MM454617;CNc1ccc(CF)cc1;KQMITVDBCPVPRX-UHFFFAOYSA-N;139.17;2.2;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC5_SC4";;;;;;;2.97;;0.45;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM454618;MM454618;C=NN=CCC#CC=NN;SWZGINZNMKPQBZ-UHFFFAOYSA-N;136.16;0.01;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_C5";;;;;;;0.81;;-0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM454619;MM454619;C=NN=CCC#CC=NO;BNYDHWOFKQIMRL-UHFFFAOYSA-N;137.14;0.53;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_C5";;;;;;;0.81;;-0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM454620;MM454620;CCc1ccc(OC)cc1;HDNRAPAFJLXKBV-UHFFFAOYSA-N;136.19;2.26;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC3_SC5";;;;;;;3.34;;0.48;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM454621;MM454621;C#CC=CCC#CC=CC;NSFCTMBVSLSNNY-UHFFFAOYSA-N;130.19;2.15;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1_N0";;;;;;;3.21;;0.46;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM454622;MM454622;COc1ccc(CN)cc1;IDPURXSQCKYKIJ-UHFFFAOYSA-N;137.18;1.15;;;;;DOPC;MDCG;27;1;"MARTINI bead: SC5_SNd";;;;;;;1.64;;-1.79;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM454623;MM454623;C#CC=CCC#CC=NN;CJGNEIHSRPSTNZ-UHFFFAOYSA-N;132.17;0.51;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nd_N0";;;;;;;1.17;;-1.04;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM454624;MM454624;COc1ccc(CO)cc1;MSHFRERJPWKJFX-UHFFFAOYSA-N;138.17;1.19;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC5_SNda";;;;;;;1.64;;0.05;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM454625;MM454625;CC#CC#CCC=CCC;NRQMIVOSMIYFHF-UHFFFAOYSA-N;132.21;2.37;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1_C4";;;;;;;4.24;;0.42;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM454626;MM454626;COc1ccc(CF)cc1;FIXRFLCABDYIGE-UHFFFAOYSA-N;140.16;2.16;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC5_SC4";;;;;;;2.97;;0.45;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM454627;MM454627;CC#CC#CCC=CCN;JUSSXRSOHQXVSN-UHFFFAOYSA-N;133.19;0.92;;;;;DOPC;MDCG;27;1;"MARTINI bead: C1_P1";;;;;;;2.08;;-0.65;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM454628;MM454628;CNc1ccc(OC)cc1;JFXDIXYFXDOZIT-UHFFFAOYSA-N;137.18;1.74;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC5_SC5";;;;;;;2.41;;0.66;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM454629;MM454629;CC#CC#CCC=CCO;VVECYHRDKNPCOJ-UHFFFAOYSA-N;134.18;0.95;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1_Nda";;;;;;;2.91;;0.57;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM454630;MM454630;COc1ccc(OC)cc1;OHBQPCCCRFSCAX-UHFFFAOYSA-N;138.17;1.7;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC5_SC5";;;;;;;2.41;;0.64;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM454631;MM454631;CC#CC#CCC=CCF;ROCYLVVIJQZRBR-UHFFFAOYSA-N;136.17;1.93;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1_C5";;;;;;;3.68;;0.46;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM454632;MM454632;CCc1ccc(CF)nc1;WPZFSDHBOMHPDS-UHFFFAOYSA-N;139.17;2.11;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC5_SNa";;;;;;;1.64;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM454633;MM454633;CC#CC#CCC=COC;RTJMWXYXBYZYKN-UHFFFAOYSA-N;134.18;1.56;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_C1";;;;;;;2.91;;0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM454634;MM454634;NCc1ccc(CF)nc1;WUWIPBGJEYRYEN-UHFFFAOYSA-N;140.16;1.01;;;;;DOPC;MDCG;27;1;"MARTINI bead: SP1_SNa";;;;;;;0.04;;-4.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM454635;MM454635;CC#CC#CCC=NNC;SXIVKAAVRSCNSQ-UHFFFAOYSA-N;134.18;0.61;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_C1";;;;;;;1.8;;0.4;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM454636;MM454636;C=C(C#N)CCNN=CC;INNCKSMXOKLCKG-UHFFFAOYSA-N;137.19;1.05;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nd_N0";;;;;;;1.17;;-1.04;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM454637;MM454637;CC#CC#CCC=NOC;JAJPFBGCUWGRTG-UHFFFAOYSA-N;135.17;1.04;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_C1";;;;;;;2.08;;0.48;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM454638;MM454638;CCc1ccc(OC)nc1;WOSJQXCRYIYFKT-UHFFFAOYSA-N;137.18;1.65;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC5_SNa";;;;;;;1.64;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM454639;MM454639;C=CC=CCC#CC#CC;HTOMDXIZUXAUEW-UHFFFAOYSA-N;130.19;2.15;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1_C4";;;;;;;4.24;;0.42;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM454640;MM454640;CNc1ccc(CN)nc1;VBVWUIHVMHDJCK-UHFFFAOYSA-N;137.19;0.58;;;;;DOPC;MDCG;27;1;"MARTINI bead: SNd_SP1";;;;;;;0.04;;-3.66;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM454641;MM454641;CC#CC#CCC=CC=O;VJQZQYCABCIKBI-UHFFFAOYSA-N;132.16;1.16;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1_Na";;;;;;;2.91;;0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM454642;MM454642;CON=CNOC(C)OC;PSDVEJRQHBTGLL-UHFFFAOYSA-N;148.16;0.09;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_Nda";;;;;;;0.04;;-2.73;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM454643;MM454643;CC#CC#CCC=CC#N;XBXLGATZSLBFHP-UHFFFAOYSA-N;129.16;1.48;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4_N0";;;;;;;2.5;;0.44;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM454644;MM454644;CNc1ccc(CF)nc1;VKGNCSZZBUXDTN-UHFFFAOYSA-N;140.16;1.59;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNd_SNa";;;;;;;0.87;;-1.88;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM454645;MM454645;C=NN=CCC#CC#CC;NOXJKXWPJWPOMS-UHFFFAOYSA-N;132.17;1.09;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1_N0";;;;;;;3.21;;0.46;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM454646;MM454646;COc1ccc(CF)nc1;GBWRZVCXZKIEEE-UHFFFAOYSA-N;141.15;1.56;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNa_SNa";;;;;;;0.87;;-2.22;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM454647;MM454647;C#CC=CCC#CC#CC;CPTDMAOTFHBMDU-UHFFFAOYSA-N;128.17;1.59;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1_N0";;;;;;;3.21;;0.46;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM454648;MM454648;C#CC(=NOC)C(=O)CC;SFRDWHICSNECBH-UHFFFAOYSA-N;139.15;0.6;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_Na";;;;;;;0.87;;-2.22;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM454649;MM454649;CCC#CCC#CCCC;APLCIRYEIJJMCB-UHFFFAOYSA-N;134.22;2.59;;;;;DOPC;MDCG;27;0;"MARTINI bead: C3_C3";;;;;;;4.27;;0.2;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM454650;MM454650;CCc1cnc(OC)nc1;DBASJPDGFMOOBG-UHFFFAOYSA-N;138.17;1.05;;;;;DOPC;MDCG;27;0;"MARTINI bead: SN0_SNa";;;;;;;1.17;;-1.18;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM454651;MM454651;CCC#CCC#CCCN;KNSNJIMGQLPFRG-UHFFFAOYSA-N;135.21;1.14;;;;;DOPC;MDCG;27;1;"MARTINI bead: C3_Nd";;;;;;;2.57;;-1.16;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM454652;MM454652;CCc1ncc(NC)cn1;UAAIAYPPUVKXJU-UHFFFAOYSA-N;137.19;1.08;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNa_SNd";;;;;;;0.87;;-1.88;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM454653;MM454653;CCC#CCC#CCCO;ASBDYPIHQWUNHE-UHFFFAOYSA-N;136.19;1.18;;;;;DOPC;MDCG;27;0;"MARTINI bead: C3_Nda";;;;;;;2.57;;0.44;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM454654;MM454654;CNN=C(C#CC=O)CF;PJSMVGJHQKEHGR-UHFFFAOYSA-N;142.13;-0.27;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_Nda";;;;;;;0.87;;-1.99;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM454655;MM454655;CCC#CCC#CCCF;JQQKRJATPDRJPJ-UHFFFAOYSA-N;138.19;2.15;;;;;DOPC;MDCG;27;0;"MARTINI bead: C3_Na";;;;;;;2.57;;0.45;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM454656;MM454656;CNc1cnc(CF)nc1;IBKLKMJHWJPYGM-UHFFFAOYSA-N;141.15;0.99;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNd_SNa";;;;;;;0.87;;-1.88;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM454657;MM454657;CCCC#CCC#CCN;YDUWOMIBBMAUJP-UHFFFAOYSA-N;135.21;1.14;;;;;DOPC;MDCG;27;1;"MARTINI bead: C3_Nd";;;;;;;2.57;;-0.24;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM454658;MM454658;CC#CCN=C(CF)NN;WAAXAAQAXYBHJD-UHFFFAOYSA-N;143.17;-0.16;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4_P2";;;;;;;1.09;;-0.37;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM454659;MM454659;NCC#CCC#CCCN;CZCZUDIWWYDLCQ-UHFFFAOYSA-N;136.2;-0.31;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_Nd";;;;;;;0.87;;-4.6;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM454660;MM454660;CNc1cnc(OC)nc1;QZIIUKMRWSOWGI-UHFFFAOYSA-N;139.16;0.53;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNd_SNa";;;;;;;0.87;;-1.88;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM454661;MM454661;NCC#CCC#CCCO;OJKLGNCHWRGOMZ-UHFFFAOYSA-N;137.18;-0.28;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_Nda";;;;;;;0.87;;-3.39;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM454662;MM454662;CCc1ncc(OC)cn1;YBHZRJVQSBXXEO-UHFFFAOYSA-N;138.17;1.05;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNa_SNa";;;;;;;0.87;;-2.22;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM454663;MM454663;NCC#CCC#CCCF;SRWOJHNYLPJJKA-UHFFFAOYSA-N;139.17;0.7;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_Na";;;;;;;0.87;;-3.35;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM454664;MM454664;CCC12CC1N=C(C#N)N2;QCUPMSDZHSMJQB-UHFFFAOYSA-N;135.17;0.43;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC3_SP1";;;;;;;1.74;;0.29;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM454665;MM454665;CCCC#CCC#CCO;PINGEDDTWJCRSI-UHFFFAOYSA-N;136.19;1.18;;;;;DOPC;MDCG;27;0;"MARTINI bead: C3_Nda";;;;;;;2.57;;0.44;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM454666;MM454666;COc1cnc(CF)nc1;JLGKTNISOOVLQJ-UHFFFAOYSA-N;142.13;0.95;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNa_SNa";;;;;;;0.87;;-2.22;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM454667;MM454667;NCCC#CCC#CCO;JAGBREIERLLQEU-UHFFFAOYSA-N;137.18;-0.28;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_Nda";;;;;;;0.87;;-4.35;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM454668;MM454668;CCC=NNCCCC#N;IXHJPRFNOUIQDU-UHFFFAOYSA-N;139.2;1.28;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nd_N0";;;;;;;1.17;;-1.04;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM454669;MM454669;CCCC#CCC#CCF;DMLCOTVETFSFKT-UHFFFAOYSA-N;138.19;2.15;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1_Na";;;;;;;2.91;;0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM454670;MM454670;COc1cnc(OC)nc1;JCDHBXYIWAUNSH-UHFFFAOYSA-N;140.14;0.49;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNa_SNa";;;;;;;0.87;;-2.22;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM454671;MM454671;NCCC#CCC#CCF;QFCXKRHVMLDDDK-UHFFFAOYSA-N;139.17;0.7;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_C5";;;;;;;1.64;;-2.33;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM454672;MM454672;C#CCONC=NOCC;YTHXUHIZPMXGNO-UHFFFAOYSA-N;142.16;0.12;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_N0";;;;;;;0.34;;-1.53;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM454673;MM454673;OCCC#CCC#CCF;ZXFDNZCTWBCPES-UHFFFAOYSA-N;140.16;0.74;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda_Na";;;;;;;0.87;;-1.99;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM454674;MM454674;CCc1ncc(CO)nn1;MUGFZYFNDAPHBG-UHFFFAOYSA-N;139.16;-0.07;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP1_SP2";;;;;;;-1.06;;-3.82;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM454675;MM454675;CCC#CCC#CCNC;DLVQEIGRJGXATD-UHFFFAOYSA-N;135.21;1.01;;;;;DOPC;MDCG;27;1;"MARTINI bead: C3_P2";;;;;;;1.46;;-1.73;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM454676;MM454676;CCc1ncc(CF)nn1;JJKYXFGNJXJFJR-UHFFFAOYSA-N;141.15;0.9;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP1_SP1";;;;;;;-0.79;;-3.13;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM454677;MM454677;CNCC#CCC#CCN;PKDLNTXVFNSQSO-UHFFFAOYSA-N;136.2;-0.44;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_Nd";;;;;;;0.87;;-4.01;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM454678;MM454678;OCc1ncc(CF)nn1;RWWRYSUYTXOKHQ-UHFFFAOYSA-N;143.12;-0.17;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP2_SP1";;;;;;;-1.06;;-3.82;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM454679;MM454679;CNCC#CCC#CCO;UTLPZGMQUCEWNY-UHFFFAOYSA-N;137.18;-0.41;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_Nda";;;;;;;0.87;;-3.62;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM454680;MM454680;CC#CCNN=CC=CF;QEQOFBLWTYTVJQ-UHFFFAOYSA-N;140.16;1.07;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nd_C4";;;;;;;2.2;;0.32;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM454681;MM454681;CNCC#CCC#CCF;KTYCBHACGNHKHR-UHFFFAOYSA-N;139.17;0.57;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_Na";;;;;;;0.87;;-3.58;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM454682;MM454682;C=CC1=NOC(NC)=NO1;JVIAJGOXLQZWJE-UHFFFAOYSA-N;141.13;0.02;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP1_SNa";;;;;;;0.04;;-2.54;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM454683;MM454683;CCC#CCC#CCOC;CWFBYWQPXNHGHH-UHFFFAOYSA-N;136.19;1.44;;;;;DOPC;MDCG;27;0;"MARTINI bead: C3_Na";;;;;;;2.57;;0.45;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM454684;MM454684;COCC#CCC#CCN;IGYMEKKEGBYRCF-UHFFFAOYSA-N;137.18;-0.01;;;;;DOPC;MDCG;27;1;"MARTINI bead: Na_Nd";;;;;;;0.87;;-3.35;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM454685;MM454685;COc1ncc(CF)nn1;FCBXIXAGAFBALC-UHFFFAOYSA-N;143.12;0.35;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP2_SP1";;;;;;;-1.06;;-3.82;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM454686;MM454686;CCc1nnc(CO)nn1;BZPJPIXBYITSLU-UHFFFAOYSA-N;140.15;-0.68;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP2_SP2";;;;;;;-1.34;;-4.31;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM454687;MM454687;COCC#CCC#CCO;SFKIOLQIVNLSOY-UHFFFAOYSA-N;138.17;0.02;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_P2";;;;;;;0.54;;-1.09;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM454688;MM454688;CCc1nnc(NC)nn1;ZVJIXYZNTZYZIX-UHFFFAOYSA-N;139.16;-0.13;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP2_SP2";;;;;;;-1.34;;-4.31;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM454689;MM454689;COCC#CCC#CCF;DXFGPACSZWXCFQ-UHFFFAOYSA-N;140.16;1;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_Na";;;;;;;1.64;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM454690;MM454690;CNc1nnc(CO)nn1;YQCFDBKQLRMWFG-UHFFFAOYSA-N;141.13;-1.2;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP2_SP2";;;;;;;-1.34;;-4.31;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM454691;MM454691;C=CCC#CCC#CCC;NGMFZFOLTDLFFX-UHFFFAOYSA-N;132.21;2.37;;;;;DOPC;MDCG;27;0;"MARTINI bead: C3_C5";;;;;;;3.34;;0.48;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM454692;MM454692;CCc1nnc(OC)nn1;NUCANJJGIUNYGW-UHFFFAOYSA-N;140.15;-0.16;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP2_SP2";;;;;;;-1.34;;-4.31;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM454693;MM454693;CCC#CCC#CCC=O;UJXOPMHOPQZFGI-UHFFFAOYSA-N;134.18;1.38;;;;;DOPC;MDCG;27;0;"MARTINI bead: C3_Na";;;;;;;2.57;;0.45;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM454694;MM454694;COc1nnc(CO)nn1;DWNUEYUPIRPFRA-UHFFFAOYSA-N;142.12;-1.23;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP2_SP2";;;;;;;-1.34;;-4.31;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM454695;MM454695;CCC#CCC#CCC#N;IKHNTURXOBTYDE-UHFFFAOYSA-N;131.18;1.71;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_N0";;;;;;;1.94;;0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM454696;MM454696;CNc1nnc(NC)nn1;GJAOMTKXRBEDJL-UHFFFAOYSA-N;140.15;-0.65;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP2_SP2";;;;;;;-1.34;;-4.31;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM454697;MM454697;C=CCC#CCC#CCN;LVUBMABASPPCPO-UHFFFAOYSA-N;133.19;0.92;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_C5";;;;;;;1.64;;-1.37;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM454698;MM454698;CNc1nnc(OC)nn1;FRWUHMVNIGNCHQ-UHFFFAOYSA-N;141.13;-0.68;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP2_SP2";;;;;;;-1.34;;-4.31;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM454699;MM454699;C=CCC#CCC#CCO;RGLVVJJPKHRTQX-UHFFFAOYSA-N;134.18;0.95;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_C3";;;;;;;1.46;;-0.15;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM454700;MM454700;COc1nnc(OC)nn1;ZNSCYDLNMURTGC-UHFFFAOYSA-N;142.12;-0.72;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP2_SP2";;;;;;;-1.34;;-4.31;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM454701;MM454701;O=CCC#CCC#CCO;JZPMUYFTWJDWFP-UHFFFAOYSA-N;136.15;-0.04;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda_Na";;;;;;;0.87;;-1.99;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM454702;MM454702;CCc1ccc(C=O)cc1;QNGNSVIICDLXHT-UHFFFAOYSA-N;134.18;2.06;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC3_SC5";;;;;;;3.34;;0.48;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM454703;MM454703;C=CCC#CCC#CCF;QNWMRUWWAJOYNT-UHFFFAOYSA-N;136.17;1.93;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_C3";;;;;;;2.57;;0.45;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM454704;MM454704;C=Cc1ccc(NC)cc1;XGOACEXUXLKAFR-UHFFFAOYSA-N;133.19;2.37;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC5_SC4";;;;;;;2.97;;0.45;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM454705;MM454705;O=CCC#CCC#CCF;AKUXDELQQFRWDL-UHFFFAOYSA-N;138.14;0.94;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_C5";;;;;;;1.64;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM454706;MM454706;C=Cc1ccc(OC)cc1;UAJRSHJHFRVGMG-UHFFFAOYSA-N;134.18;2.34;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC5_SC4";;;;;;;2.97;;0.45;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM454707;MM454707;N#CCC#CCC#CCF;UJSRAMGGZYZJHX-UHFFFAOYSA-N;135.14;1.27;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_N0";;;;;;;1.17;;-1.18;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM454708;MM454708;COc1ccc(C=O)cc1;ZRSNZINYAWTAHE-UHFFFAOYSA-N;136.15;1.51;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC5_SC5";;;;;;;2.41;;0.64;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM454709;MM454709;C#CCC#CCC#CCC;XLZMVLQWWSHFKG-UHFFFAOYSA-N;130.19;1.82;;;;;DOPC;MDCG;27;0;"MARTINI bead: C3_N0";;;;;;;2.87;;0.37;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM454710;MM454710;C=Cc1ccc(CC)cn1;YQUDMNIUBTXLSX-UHFFFAOYSA-N;133.19;2.29;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC5_SC5";;;;;;;2.41;;0.65;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM454711;MM454711;C#CCC#CCC#CCN;ZOCAUEASBLUMFK-UHFFFAOYSA-N;131.18;0.37;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_N0";;;;;;;1.17;;-2.51;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM454712;MM454712;CCc1ccc(C=O)nc1;PPUYLXOFOVDYKU-UHFFFAOYSA-N;135.17;1.46;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC5_SNa";;;;;;;1.64;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM454713;MM454713;C#CCC#CCC#CCO;UGFDCBPWIRYZEC-UHFFFAOYSA-N;132.16;0.4;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda_N0";;;;;;;1.17;;-1.13;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM454714;MM454714;COC1C=NNC1;HHOREVJMKRJWHY-UHFFFAOYSA-N;100.12;-0.41;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP2_SP1";;;;;;;-1.06;;-3.82;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM454715;MM454715;C#CCC#CCC#CCF;WGOLLKQYDHDZHE-UHFFFAOYSA-N;134.15;1.38;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_N0";;;;;;;1.94;;0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM454716;MM454716;C=Cc1ccc(NC)cn1;IJMMPKLJVSQQBZ-UHFFFAOYSA-N;134.18;1.77;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNd_SC5";;;;;;;1.64;;0.02;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM454717;MM454717;C=CC#CCC#CCCC;GAEQHLOGJASFDR-UHFFFAOYSA-N;132.21;2.37;;;;;DOPC;MDCG;27;0;"MARTINI bead: C3_C4";;;;;;;3.9;;0.47;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM454718;MM454718;COc1ccc(C=O)nc1;CTYUCLSCBVSTAA-UHFFFAOYSA-N;137.14;0.9;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNa_SNa";;;;;;;0.87;;-2.22;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM454719;MM454719;C=CC#CCC#CCCN;PVSXUIZXOMDRGJ-UHFFFAOYSA-N;133.19;0.92;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_C4";;;;;;;2.2;;-1.86;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM454720;MM454720;C=Cc1ncc(CC)cn1;CRONPMSSBDJLPQ-UHFFFAOYSA-N;134.18;1.68;;;;;DOPC;MDCG;27;0;"MARTINI bead: SN0_SNa";;;;;;;1.17;;-1.18;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM454721;MM454721;C=CC#CCC#CCCO;CYLPOGZDLDAYRN-UHFFFAOYSA-N;134.18;0.95;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda_C4";;;;;;;2.2;;0.49;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM454722;MM454722;CCc1cnc(C=O)nc1;ZQMLIXCRKRMDIW-UHFFFAOYSA-N;136.15;0.85;;;;;DOPC;MDCG;27;0;"MARTINI bead: SN0_SNa";;;;;;;1.17;;-1.18;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM454723;MM454723;C=CC#CCC#CCCF;MVZHBVSBUGKIBZ-UHFFFAOYSA-N;136.17;1.93;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_C4";;;;;;;2.2;;0.34;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM454724;MM454724;N#CC1=NNCC1;CZNGJPYQONVYEL-UHFFFAOYSA-N;95.11;-0.14;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP1_SP1";;;;;;;-0.79;;-3.13;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM454725;MM454725;CCCC#CCC#CC=O;QUWILLAPHFBVJR-UHFFFAOYSA-N;134.18;1.38;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1_P1";;;;;;;2.08;;0.48;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM454726;MM454726;O=Cc1ncc(CF)cn1;VVYWCFKUSHYZHD-UHFFFAOYSA-N;140.12;0.76;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNa_SNa";;;;;;;0.87;;-2.22;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM454727;MM454727;CCCC#CCC#CC#N;ZJYKZCHAYMQRLW-UHFFFAOYSA-N;131.18;1.71;;;;;DOPC;MDCG;27;0;"MARTINI bead: C3_N0";;;;;;;2.87;;0.37;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM454728;MM454728;C=Cc1ncc(NC)cn1;BEEIQDSXEQJYCW-UHFFFAOYSA-N;135.17;1.16;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNd_SNa";;;;;;;0.87;;-1.88;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM454729;MM454729;O=CC#CCC#CCCO;WJOMJXIJVSZCIR-UHFFFAOYSA-N;136.15;-0.04;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_C5";;;;;;;0.81;;-0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM454730;MM454730;CNc1cnc(C=O)nc1;INSJMZBBBAYWGX-UHFFFAOYSA-N;137.14;0.33;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNd_SNa";;;;;;;0.87;;-1.88;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM454731;MM454731;N#CC#CCC#CCCO;JZUGGXHHYBCOSE-UHFFFAOYSA-N;133.15;0.29;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_C5";;;;;;;0.81;;-0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM454732;MM454732;C=Cc1ncc(OC)cn1;GMQZXTGSSVSTLD-UHFFFAOYSA-N;136.15;1.13;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNa_SNa";;;;;;;0.87;;-2.22;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM454733;MM454733;N#CC#CCC#CCCF;NFKWMFXKHOXYFU-UHFFFAOYSA-N;135.14;1.27;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_N0";;;;;;;1.17;;-1.18;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM454734;MM454734;COc1cnc(C=O)nc1;YWCAULDHVOEECI-UHFFFAOYSA-N;138.13;0.3;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNa_SNa";;;;;;;0.87;;-2.22;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM454735;MM454735;C=CC#CCC#CCNC;BUEUUBSKYOPGQW-UHFFFAOYSA-N;133.19;0.79;;;;;DOPC;MDCG;27;1;"MARTINI bead: P2_C4";;;;;;;1.09;;-2.03;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM454736;MM454736;C=Cc1cnc(CF)cn1;ZBOYEUJDKODNRX-UHFFFAOYSA-N;138.15;1.59;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNa_SNa";;;;;;;0.87;;-2.22;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM454737;MM454737;CNCC#CCC#CC=O;BJEDFVJBHODWNF-UHFFFAOYSA-N;135.17;-0.2;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_C5";;;;;;;1.64;;-1.5;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM454738;MM454738;C=Cc1cnc(CC)nc1;YFLZJXUYRRWBLT-UHFFFAOYSA-N;134.18;1.68;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNa_SP1";;;;;;;0.04;;-2.54;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM454739;MM454739;CCc1ncc(C=O)cn1;CBKMQAVGQAQPJI-UHFFFAOYSA-N;136.15;0.85;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNa_SP1";;;;;;;0.04;;-2.54;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM454740;MM454740;CNCC#CCC#CC#N;XTAMEKRARNQISP-UHFFFAOYSA-N;132.17;0.13;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_N0";;;;;;;1.17;;-2.74;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM454741;MM454741;C=Cc1cnc(CO)nc1;ZYHGVYSYIVFTQW-UHFFFAOYSA-N;136.15;0.61;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP1_SP1";;;;;;;-0.79;;-3.13;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM454742;MM454742;C=CC#CCC#CCOC;LIQCSINUTXQAPM-UHFFFAOYSA-N;134.18;1.22;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_C4";;;;;;;2.2;;0.34;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM454743;MM454743;COCC#CCC#CC=O;JGKVBMSYQALXKT-UHFFFAOYSA-N;136.15;0.23;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_P1";;;;;;;0.81;;-0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM454744;MM454744;C=Cc1cnc(CF)nc1;ZGEWYKSFPUBTDQ-UHFFFAOYSA-N;138.15;1.59;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNa_SP1";;;;;;;0.04;;-2.54;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM454745;MM454745;COCC#CCC#CC#N;HWXONMFSBNCBRW-UHFFFAOYSA-N;133.15;0.55;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_N0";;;;;;;1.17;;-1.18;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM454746;MM454746;O=Cc1cnc(CF)nc1;BRNQQTVRSZTWKH-UHFFFAOYSA-N;140.12;0.76;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNa_SP1";;;;;;;0.04;;-2.54;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM454747;MM454747;C=CC#CCC#CCC=C;MEMRUXDMHRTKHT-UHFFFAOYSA-N;130.19;2.15;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_C4";;;;;;;2.97;;0.45;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM454748;MM454748;CC1(C=O)C=NNC1;BVXXIPXWDQVEBS-UHFFFAOYSA-N;112.13;-0.22;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNa_SP1";;;;;;;0.04;;-2.54;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM454749;MM454749;C=CC#CCC#CCC=O;JRTAJXBZQSEZIQ-UHFFFAOYSA-N;132.16;1.16;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4_Na";;;;;;;2.2;;0.34;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM454750;MM454750;CCC(=O)C1CN1C;KEMOIMMFSLHFPG-UHFFFAOYSA-N;113.16;0.28;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_SP1";;;;;;;0.04;;-2.54;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM454751;MM454751;C=CC#CCC#CCC#N;KZFNJKSABXSUNG-UHFFFAOYSA-N;129.16;1.48;;;;;DOPC;MDCG;27;0;"MARTINI bead: N0_N0";;;;;;;1.47;;-0.05;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM454752;MM454752;C=Cc1cnc(OC)nc1;LIOOINKSXDJULD-UHFFFAOYSA-N;136.15;1.13;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNa_SP1";;;;;;;0.04;;-2.54;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM454753;MM454753;C=CCC#CCC#CC=O;PVWQCOFMUWWUJR-UHFFFAOYSA-N;132.16;1.16;;;;;DOPC;MDCG;27;0;"MARTINI bead: C3_P1";;;;;;;1.74;;0.29;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM454754;MM454754;COc1ncc(C=O)cn1;MERUNNHMVZFFRE-UHFFFAOYSA-N;138.13;0.3;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNa_SP1";;;;;;;0.04;;-2.54;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM454755;MM454755;C=CCC#CCC#CC#N;HYBVPGXEWDWGTL-UHFFFAOYSA-N;129.16;1.48;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_N0";;;;;;;1.94;;0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM454756;MM454756;C=Cc1cnc(CC)nn1;WOPMCNRGGYTLMD-UHFFFAOYSA-N;135.17;1.08;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP1_SP1";;;;;;;-0.79;;-3.13;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM454757;MM454757;O=CC#CCC#CCC=O;YDSCXAYGLDPFHZ-UHFFFAOYSA-N;134.13;0.17;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_P1";;;;;;;0.81;;-0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM454758;MM454758;CCc1ncc(C=O)nn1;JHDRJRFROQJSMU-UHFFFAOYSA-N;137.14;0.25;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP1_SP2";;;;;;;-1.06;;-3.82;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM454759;MM454759;N#CCC#CCC#CC=O;GCTWFMSFKJSNQG-UHFFFAOYSA-N;131.13;0.5;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_N0";;;;;;;1.94;;0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM454760;MM454760;O=Cc1cnc(CO)nn1;FDOWAZGEVMUQTR-UHFFFAOYSA-N;139.11;-0.82;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP2_SP2";;;;;;;-1.34;;-4.31;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM454761;MM454761;N#CC#CCC#CCC=O;RULAENFZEBKKAF-UHFFFAOYSA-N;131.13;0.5;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_N0";;;;;;;1.17;;-1.18;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM454762;MM454762;N#CC#CCC#CCC#N;PYJOMFKZROARKK-UHFFFAOYSA-N;128.13;0.82;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_N0";;;;;;;0.34;;-1.53;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM454763;MM454763;C=NNC(C)(C)C(F)F;MXVHEBCEUCYZAB-UHFFFAOYSA-N;136.15;1.24;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nd_N0";;;;;;;1.17;;-1.04;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM454764;MM454764;C#CCC#CCC#CC=C;KFZNREUCDOZSAS-UHFFFAOYSA-N;128.17;1.59;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4_N0";;;;;;;2.5;;0.44;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM454765;MM454765;C=Cc1cnc(OC)nn1;CPIIKUXGGXRMMG-UHFFFAOYSA-N;137.14;0.52;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP2_SP1";;;;;;;-1.06;;-3.82;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM454766;MM454766;C#CCC#CCC#CC=O;CTWPELMVXQDHQV-UHFFFAOYSA-N;130.15;0.61;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_N0";;;;;;;1.94;;0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM454767;MM454767;COc1ncc(C=O)nn1;VXXRMOZAIJOHJD-UHFFFAOYSA-N;139.11;-0.31;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP2_SP2";;;;;;;-1.34;;-4.31;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM454768;MM454768;C#CCC#CCC#CC#N;IOYNGNVJISWNGJ-UHFFFAOYSA-N;127.15;0.93;;;;;DOPC;MDCG;27;0;"MARTINI bead: N0_N0";;;;;;;1.47;;-0.05;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM454769;MM454769;C=Cc1nnc(CC)nn1;BXEVKXGWSAJXTE-UHFFFAOYSA-N;136.16;0.47;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP2_SP2";;;;;;;-1.34;;-4.31;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM454770;MM454770;CCc1nnc(C=O)nn1;OPYUNGKPJJVNFX-UHFFFAOYSA-N;138.13;-0.36;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP2_SP2";;;;;;;-1.34;;-4.31;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM454771;MM454771;C#CC#CCC#CCCC;PFXNWZHKYIPMHN-UHFFFAOYSA-N;130.19;1.82;;;;;DOPC;MDCG;27;0;"MARTINI bead: C3_C4";;;;;;;3.9;;0.47;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM454772;MM454772;O=Cc1nnc(CF)nn1;AUBNCRBVDQZOAI-UHFFFAOYSA-N;142.09;-0.45;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP2_SP2";;;;;;;-1.34;;-4.31;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM454773;MM454773;C#CC#CCC#CCCN;PERASFADXWFLAL-UHFFFAOYSA-N;131.18;0.37;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_C4";;;;;;;2.2;;-1.86;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM454774;MM454774;C=Cc1nnc(NC)nn1;JPEOTMBHEIMTID-UHFFFAOYSA-N;137.15;-0.05;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP2_SP2";;;;;;;-1.34;;-4.31;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM454775;MM454775;C#CC#CCC#CCCO;PDVKOKRPTMGSLO-UHFFFAOYSA-N;132.16;0.4;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda_C4";;;;;;;2.2;;0.49;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM454776;MM454776;CNc1nnc(C=O)nn1;PEPBIZJZGQOVFT-UHFFFAOYSA-N;139.12;-0.88;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP2_SP2";;;;;;;-1.34;;-4.31;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM454777;MM454777;C#CC#CCC#CCCF;VLLFUQCOHYRLHI-UHFFFAOYSA-N;134.15;1.38;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_C4";;;;;;;2.2;;0.34;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM454778;MM454778;C=Cc1nnc(OC)nn1;YPESUZINCUFDGM-UHFFFAOYSA-N;138.13;-0.08;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP2_SP2";;;;;;;-1.34;;-4.31;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM454779;MM454779;C#CC#CCC#CCNC;UGTROGWSQJKNCK-UHFFFAOYSA-N;131.18;0.24;;;;;DOPC;MDCG;27;1;"MARTINI bead: P2_C4";;;;;;;1.09;;-2.03;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM454780;MM454780;COc1nnc(C=O)nn1;ZGLBYVBOJMQLKH-UHFFFAOYSA-N;140.1;-0.91;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP2_SP2";;;;;;;-1.34;;-4.31;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM454781;MM454781;C#CC#CCC#CCOC;HNFPFJNMIVFWTI-UHFFFAOYSA-N;132.16;0.66;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_C4";;;;;;;2.2;;0.34;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM454782;MM454782;C=Cc1ccc(C=C)cc1;WEERVPDNCOGWJF-UHFFFAOYSA-N;130.19;2.97;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC4_SC4";;;;;;;3.53;;0.53;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM454783;MM454783;C#CC#CCC#CCC=C;GOMWNPZBPXJFEO-UHFFFAOYSA-N;128.17;1.59;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_C4";;;;;;;2.97;;0.45;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM454784;MM454784;C=Cc1ccc(C=O)cc1;QBFNGLBSVFKILI-UHFFFAOYSA-N;132.16;2.14;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC4_SC5";;;;;;;2.97;;0.45;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM454785;MM454785;C#CC#CCC#CCC=O;FSZLEAQYSGOPQT-UHFFFAOYSA-N;130.15;0.61;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_C4";;;;;;;2.2;;0.34;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM454786;MM454786;O=Cc1ccc(C=O)cc1;KUCOHFSKRZZVRO-UHFFFAOYSA-N;134.13;1.31;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC5_SC5";;;;;;;2.41;;0.64;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM454787;MM454787;C#CC#CCC#CCC#N;BGMUWGUGKLXMET-UHFFFAOYSA-N;127.15;0.93;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4_N0";;;;;;;2.5;;0.44;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM454788;MM454788;C=Cc1ccc(C=O)nc1;RBALNJXNUMVVNG-UHFFFAOYSA-N;133.15;1.54;;;;;DOPC;MDCG;27;0;"MARTINI bead: SN0_SNa";;;;;;;1.17;;-1.18;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM454789;MM454789;C#CC#CCC#CCC#C;BZCQUKKNUPHRIR-UHFFFAOYSA-N;126.16;1.04;;;;;DOPC;MDCG;27;0;"MARTINI bead: N0_C4";;;;;;;2.5;;0.44;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM454790;MM454790;C=Cc1cnc(C=C)nc1;IVUWJONIYFAGST-UHFFFAOYSA-N;132.17;1.76;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP1_SNa";;;;;;;0.04;;-2.54;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM454791;MM454791;CC=CC#CCC#CCC;FOZALBMTRCXHRF-UHFFFAOYSA-N;132.21;2.37;;;;;DOPC;MDCG;27;0;"MARTINI bead: C3_C4";;;;;;;3.9;;0.47;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM454792;MM454792;C=Cc1cnc(C=O)nc1;AYLPMYYRXHXBIZ-UHFFFAOYSA-N;134.14;0.93;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP1_SNa";;;;;;;0.04;;-2.54;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM454793;MM454793;CCC#CCC#CC=CF;UAIBGVYJTWSVKI-UHFFFAOYSA-N;136.17;2.28;;;;;DOPC;MDCG;27;0;"MARTINI bead: C3_C5";;;;;;;3.34;;0.48;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM454794;MM454794;C=Cc1ncc(C=O)cn1;OZCHGPKBTSUHHV-UHFFFAOYSA-N;134.14;0.93;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNa_SP1";;;;;;;0.04;;-2.54;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM454795;MM454795;CC=CC#CCC#CCN;QUXJVFDXMSTGGH-UHFFFAOYSA-N;133.19;0.92;;;;;DOPC;MDCG;27;1;"MARTINI bead: C4_Nd";;;;;;;2.2;;-0.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM454796;MM454796;O=Cc1cnc(C=O)nc1;ZIMFMNIBAGFOFG-UHFFFAOYSA-N;136.11;0.1;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP1_SNa";;;;;;;0.04;;-2.54;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM454797;MM454797;NCC#CCC#CC=CF;DWKJTQRRGWMIMD-UHFFFAOYSA-N;137.16;0.83;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_C5";;;;;;;1.64;;-1.37;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM454798;MM454798;C=Cc1ncc(C=O)nn1;JLICQNGBOLZUKX-UHFFFAOYSA-N;135.13;0.33;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP1_SP2";;;;;;;-1.06;;-3.82;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM454799;MM454799;CC=CC#CCC#CCO;IAXCHDHPXZENFO-UHFFFAOYSA-N;134.18;0.95;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1_P2";;;;;;;1.8;;0.4;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM454800;MM454800;C=Cc1nnc(C=C)nn1;SPHFGYCBEHGWLT-UHFFFAOYSA-N;134.14;0.55;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP2_SP2";;;;;;;-1.34;;-4.31;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM454801;MM454801;CC=CC#CCC#CCF;AASQOSLUYXMZMB-UHFFFAOYSA-N;136.17;1.93;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1_Na";;;;;;;2.91;;0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM454802;MM454802;C=Cc1nnc(C=O)nn1;CJCDIJZXSVGJKL-UHFFFAOYSA-N;136.11;-0.28;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP2_SP2";;;;;;;-1.34;;-4.31;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM454803;MM454803;CCC#CCC#CC=NN;NNOLNGFMADUZPC-UHFFFAOYSA-N;134.18;0.74;;;;;DOPC;MDCG;27;0;"MARTINI bead: C3_P1";;;;;;;1.74;;0.29;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM454804;MM454804;O=Cc1nnc(C=O)nn1;RLLYZBQAMYEWBL-UHFFFAOYSA-N;138.09;-1.11;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP2_SP2";;;;;;;-1.34;;-4.31;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM454805;MM454805;CCC#CCC#CC=NO;YMQNUFWVUHXTHQ-UHFFFAOYSA-N;135.17;1.25;;;;;DOPC;MDCG;27;0;"MARTINI bead: C3_P1";;;;;;;1.74;;0.29;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM454806;MM454806;C#Cc1ncc(C#N)cn1;RVZAOZHNKDQYMA-UHFFFAOYSA-N;129.12;0.33;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNa_SP1";;;;;;;0.04;;-2.54;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM454807;MM454807;N=c1ncc(=O)c(N)co1;HSWIJWLAHFCAQV-UHFFFAOYSA-N;139.11;-0.9;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP2_SP2";;;;;;;-1.34;;-4.31;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM454808;MM454808;C#Cc1ccc(C#C)cc1;MVLGANVFCMOJHR-UHFFFAOYSA-N;126.16;1.65;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC4_SC4";;;;;;;3.53;;0.53;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM454809;MM454809;NN=CC#CCC#CCF;LOQWHNKCAHWFTQ-UHFFFAOYSA-N;138.15;0.3;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nd_Na";;;;;;;0.87;;-1.88;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM454810;MM454810;CCC1=CCC(OC)=CC1;PDSVDIFOENFADO-UHFFFAOYSA-N;138.21;2.65;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC1_SC5";;;;;;;3.68;;0.46;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM454811;MM454811;ON=CC#CCC#CCF;CIWKDSHNBLVXBE-UHFFFAOYSA-N;139.13;0.81;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda_Na";;;;;;;0.87;;-1.99;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM454812;MM454812;C=CC#CCC#CC=CC;QPGXVLNLTVVIMQ-UHFFFAOYSA-N;130.19;2.15;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4_C4";;;;;;;3.53;;0.53;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM454813;MM454813;CCC1=COC(CF)=CC1;RGBDOHTULBSXLT-UHFFFAOYSA-N;142.17;2.55;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC4_SC5";;;;;;;2.97;;0.45;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM454814;MM454814;C=CC#CCC#CC=CF;OVOJGZMOSHSQLJ-UHFFFAOYSA-N;134.15;2.05;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_C4";;;;;;;2.97;;0.45;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM454815;MM454815;OCC1=COC(CF)=CC1;FWMOEQZLAVMBAY-UHFFFAOYSA-N;144.15;1.14;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNda_SC5";;;;;;;1.64;;0.05;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM454816;MM454816;CC=CC#CCC#CC=O;QKDCJDZWJCCMAY-UHFFFAOYSA-N;132.16;1.16;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1_P1";;;;;;;2.08;;0.48;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM454817;MM454817;NCC1=CCC(CF)=CO1;SDMHLISWBREGSB-UHFFFAOYSA-N;143.16;1.1;;;;;DOPC;MDCG;27;1;"MARTINI bead: SNda_SC5";;;;;;;1.64;;-1.31;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM454818;MM454818;CC=CC#CCC#CC#N;BRQOBVOPVBJQOI-UHFFFAOYSA-N;129.16;1.48;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4_N0";;;;;;;2.5;;0.44;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM454819;MM454819;CN(C=O)NC(=N)CF;YZRIAMYIKMHESN-UHFFFAOYSA-N;133.13;-0.47;;;;;DOPC;MDCG;27;0;"MARTINI bead: P4_Na";;;;;;;-1.19;;-4.76;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM454820;MM454820;N#CC#CCC#CC=CF;OUZFUXZFQCSGIM-UHFFFAOYSA-N;133.13;1.39;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_N0";;;;;;;1.94;;0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM454821;MM454821;CCC1=CN=C(CO)NC1;KPXIUPSBELVKFS-UHFFFAOYSA-N;140.19;0.27;;;;;DOPC;MDCG;27;1;"MARTINI bead: SN0_SP2";;;;;;;0.06;;-4.1;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM454822;MM454822;C=CC#CCC#CC=NN;CPNJKZINFQEILM-UHFFFAOYSA-N;132.17;0.51;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_C4";;;;;;;1.37;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM454823;MM454823;CC1(C#N)ONC(=N)O1;DRHPLVLHWFDYDO-UHFFFAOYSA-N;127.1;-0.29;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP1_SP2";;;;;;;-1.06;;-3.82;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM454824;MM454824;C=CC#CCC#CC=NO;NLZQDZYFXQFNAU-UHFFFAOYSA-N;133.15;1.03;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_C4";;;;;;;1.37;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM454825;MM454825;CCC1=CNC(NC)=NC1;AVJDSWUHYIXTGT-UHFFFAOYSA-N;139.2;0.46;;;;;DOPC;MDCG;27;1;"MARTINI bead: SN0_SP1";;;;;;;0.34;;-6.18;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM454826;MM454826;O=CC#CCC#CC=NO;UBKBDNGKSSCVHE-UHFFFAOYSA-N;135.12;0.04;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_C5";;;;;;;0.81;;-0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM454827;MM454827;CCC1=CNC(NO)=NC1;IFGJVMXJJXPLQM-UHFFFAOYSA-N;141.17;0.22;;;;;DOPC;MDCG;27;1;"MARTINI bead: SN0_SP2";;;;;;;0.06;;-4.78;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM454828;MM454828;N#CC#CCC#CC=NO;XBTUZUUEXURPTA-UHFFFAOYSA-N;132.12;0.37;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda_N0";;;;;;;1.17;;-1.13;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM454829;MM454829;NCC1=CNC(NO)=NC1;BWLLZLLGQANMHW-UHFFFAOYSA-N;142.16;-1.23;;;;;DOPC;MDCG;27;1;"MARTINI bead: SP3_SP2";;;;;;;-2.2;;-7.65;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM454830;MM454830;C#CC#CCC#CC=CC;DRMVDJYWOBLTAN-UHFFFAOYSA-N;128.17;1.59;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4_C4";;;;;;;3.53;;0.53;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM454831;MM454831;CNC1=NCC(CF)=CN1;ORRKKARLWYUSON-UHFFFAOYSA-N;143.17;0.02;;;;;DOPC;MDCG;27;1;"MARTINI bead: SP1_SP1";;;;;;;-0.79;;-7.51;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM454832;MM454832;C#CC#CCC#CC=CF;OSHGRRFXZLQZJZ-UHFFFAOYSA-N;132.14;1.5;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4_C2";;;;;;;4.16;;0.44;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM454833;MM454833;NNC1=NCC(CF)=CN1;YRTJILWISUCRNL-UHFFFAOYSA-N;144.15;-0.74;;;;;DOPC;MDCG;27;1;"MARTINI bead: SP2_SP1";;;;;;;-1.06;;-7.46;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM454834;MM454834;C#CC#CCC#CC=NN;VYVKYPPZITYWBT-UHFFFAOYSA-N;130.15;-0.04;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_C4";;;;;;;1.37;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM454835;MM454835;COC1=CN=C(CF)NC1;FLYYBHXTELHUCG-UHFFFAOYSA-N;144.15;0.45;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP1_SNda";;;;;;;0.04;;-2.73;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM454836;MM454836;C#CC#CCC#CC=NO;SVHNIPAPSYXHDU-UHFFFAOYSA-N;131.13;0.48;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_C2";;;;;;;2;;0.3;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM454837;MM454837;CNC1=NCC(OC)=CN1;CQHGRBGOLIWNOL-UHFFFAOYSA-N;141.17;-0.35;;;;;DOPC;MDCG;27;1;"MARTINI bead: SP1_SP1";;;;;;;-0.79;;-6.76;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM454838;MM454838;CC#CC#CCC#CCC;DHTHEURUOMDEBB-UHFFFAOYSA-N;130.19;1.82;;;;;DOPC;MDCG;27;0;"MARTINI bead: C3_C4";;;;;;;3.9;;0.47;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM454839;MM454839;COC1=CNC(OC)=NC1;GBEOLZFPWZDCAW-UHFFFAOYSA-N;142.16;0.08;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP1_SNda";;;;;;;0.04;;-2.73;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM454840;MM454840;CC#CC#CCC#CCN;MUIQDNZFQZMELV-UHFFFAOYSA-N;131.18;0.37;;;;;DOPC;MDCG;27;1;"MARTINI bead: C1_P2";;;;;;;1.8;;-0.4;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM454841;MM454841;C#CC1(C)CC(C)=NN1;ACVJLVCUIZIQQD-UHFFFAOYSA-N;122.17;0.75;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP1_SNd";;;;;;;0.04;;-2.63;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM454842;MM454842;CC#CC#CCC#CCO;YIXBFWQOJRSYKZ-UHFFFAOYSA-N;132.16;0.4;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1_P2";;;;;;;1.8;;0.4;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM454843;MM454843;C=NNCC#CC(C)F;ZOWMMFYSPHDYJW-UHFFFAOYSA-N;128.15;0.55;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_P2";;;;;;;0.54;;-1.09;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM454844;MM454844;CC#CC#CCC#CCF;RGAHPVWSUWZJRL-UHFFFAOYSA-N;134.15;1.38;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1_Na";;;;;;;2.91;;0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM454845;MM454845;C=NNCC#CC(=C)C;BBLIECFEUMGGKE-UHFFFAOYSA-N;122.17;0.77;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_P2";;;;;;;0.54;;-1.09;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM454846;MM454846;C=CC#CCC#CC#CC;JVYUYHCAVPXMJZ-UHFFFAOYSA-N;128.17;1.59;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4_C4";;;;;;;3.53;;0.53;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM454847;MM454847;CC#CC#CCC#CC=O;HDNLLXCYWFDKNM-UHFFFAOYSA-N;130.15;0.61;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1_P1";;;;;;;2.08;;0.48;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM454848;MM454848;CNc1cc(F)n(C)n1;TZAWRPSKKKKAAV-UHFFFAOYSA-N;129.14;0.6;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNda_SNa";;;;;;;0.87;;-1.99;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM454849;MM454849;CC1=CN(C)CCC1=O;NOWKKFUSNHZPFH-UHFFFAOYSA-N;125.17;0.79;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNd_SP1";;;;;;;0.04;;-2.63;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM454850;MM454850;CC#CC#CCC#CC#N;KNCQIESCFJRCTE-UHFFFAOYSA-N;127.15;0.93;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4_N0";;;;;;;2.5;;0.44;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM454851;MM454851;C#CC#CCC#CC#CC;OWAMXOQEYXYYPR-UHFFFAOYSA-N;126.16;1.04;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4_C4";;;;;;;3.53;;0.53;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM454852;MM454852;N=Nc1[nH]cc(N)c1N;XNKYIXGSFVEDID-UHFFFAOYSA-N;125.14;0.84;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP1_SP1";;;;;;;-0.79;;-3.13;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM454853;MM454853;CCCC=CC=CCCC;AYIYRUVVFMYKIA-UHFFFAOYSA-N;138.25;3.7;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1_C1";;;;;;;4.95;;0.69;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM454854;MM454854;C#CCNN=CC=CF;CLSNUDBTKXVQED-UHFFFAOYSA-N;126.13;0.68;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_P1";;;;;;;0.81;;-0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM454855;MM454855;CCCC=CC=CCCN;GJGVPAIZFYRJPE-UHFFFAOYSA-N;139.24;2.25;;;;;DOPC;MDCG;27;1;"MARTINI bead: C1_Nd";;;;;;;2.91;;-0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM454856;MM454856;C=NNCC#CC=CC;LKMMRMMOZVDVAM-UHFFFAOYSA-N;122.17;0.77;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4_P2";;;;;;;1.09;;-0.38;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM454857;MM454857;CCCC=CC=CCCF;RFJBKCHUUCQWIU-UHFFFAOYSA-N;142.22;3.26;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1_C5";;;;;;;3.68;;0.46;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM454858;MM454858;C#CC=NNCC(C)(F)F;XFLPFHQZMUOGSU-UHFFFAOYSA-N;146.14;0.85;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_P1";;;;;;;0.81;;-0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM454859;MM454859;CNc1cn(C)cnc1=O;NSWGCIDVSZGASQ-UHFFFAOYSA-N;139.16;-0.18;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNd_SP2";;;;;;;-0.24;;-3.16;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM454860;MM454860;C=NNCC#CC(C)(C)F;ROQSKNJXWUROFG-UHFFFAOYSA-N;142.18;0.94;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_P1";;;;;;;0.81;;-0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM454861;MM454861;CCCC=CC=CCNC;QKCOIIAGDAXXKY-UHFFFAOYSA-N;139.24;2.12;;;;;DOPC;MDCG;27;1;"MARTINI bead: C1_Nd";;;;;;;2.91;;-0.18;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM454862;MM454862;NNC1=NNC(NO)=NO1;UEJRMKXRRZUQMN-UHFFFAOYSA-N;146.11;-2.41;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP2_SP2";;;;;;;-1.34;;-4.31;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM454863;MM454863;CNCC=CC=CCCN;IILVJJQHZZEVPQ-UHFFFAOYSA-N;140.23;0.67;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_Nd";;;;;;;0.87;;-5.03;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM454864;MM454864;CCC1=COC(CO)=CO1;NAKXHLYTOCINEA-UHFFFAOYSA-N;142.15;1.12;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC5_SNda";;;;;;;1.64;;0.05;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM454865;MM454865;CNCC=CC=CCCO;JYUKQZQTQPKWJF-UHFFFAOYSA-N;141.21;0.7;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_Nda";;;;;;;0.87;;-4.29;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM454866;MM454866;CCC1=COC(CF)=CO1;KQHLLDHBZWPAKK-UHFFFAOYSA-N;144.15;2.1;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC5_SNa";;;;;;;1.64;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM454867;MM454867;CCCC=CC=CCOC;UERLPUGOZPHUNT-UHFFFAOYSA-N;140.23;2.55;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1_Na";;;;;;;2.91;;0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM454868;MM454868;NCC1=COC(CF)=CO1;KGVHDDVKBFFBQI-UHFFFAOYSA-N;145.13;0.64;;;;;DOPC;MDCG;27;1;"MARTINI bead: SP1_SNa";;;;;;;0.04;;-3.89;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM454869;MM454869;COCC=CC=CCCN;VTNBQNFXLULDRN-UHFFFAOYSA-N;141.21;1.09;;;;;DOPC;MDCG;27;1;"MARTINI bead: Na_C5";;;;;;;1.64;;-2.69;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM454870;MM454870;OCC1=COC(CF)=CO1;COFFFZLDWHEGSB-UHFFFAOYSA-N;146.12;0.68;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNda_SNa";;;;;;;0.87;;-1.99;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM454871;MM454871;CNCC=CC=CCNC;KUOOCRYAFSGFLC-UHFFFAOYSA-N;140.23;0.54;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_Nd";;;;;;;0.87;;-4.79;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM454872;MM454872;C=CC1=CCC(CC)=CC1;LHNBGZNIOCNPEW-UHFFFAOYSA-N;134.22;3.23;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC1_SC4";;;;;;;4.24;;0.42;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM454873;MM454873;CNCC=CC=CCOC;IFTOYZXIVGNEPN-UHFFFAOYSA-N;141.21;0.96;;;;;DOPC;MDCG;27;1;"MARTINI bead: C5_Na";;;;;;;1.64;;-2.31;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM454874;MM454874;CCC1=CCC(C=O)=CC1;UMQPLDZASWPEFG-UHFFFAOYSA-N;136.19;2.24;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC1_SNa";;;;;;;2.91;;0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM454875;MM454875;CCCC=CC=COCC;YGGUGPYEUWHPRR-UHFFFAOYSA-N;140.23;2.89;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1_C5";;;;;;;3.68;;0.46;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM454876;MM454876;CCC1=CCC(C#N)=CC1;AZTKRJHFXXEFEK-UHFFFAOYSA-N;133.19;2.57;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC1_SC5";;;;;;;3.68;;0.46;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM454877;MM454877;CCOC=CC=CCCN;VUMVUFZRLLVMSB-UHFFFAOYSA-N;141.21;1.44;;;;;DOPC;MDCG;27;1;"MARTINI bead: C5_Nd";;;;;;;1.64;;-2.66;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM454878;MM454878;CC=NOC(=O)C=C(C)N;PQAMGXDUAWYQPY-UHFFFAOYSA-N;142.16;0.4;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_Nd";;;;;;;0.87;;-1.88;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM454879;MM454879;CCCC=CC=NNCC;WHTTWDQQMHPPPK-UHFFFAOYSA-N;140.23;1.94;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1_Nd";;;;;;;2.91;;0.64;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM454880;MM454880;COC1=CCC(C=O)=CC1;MACMICDWLMPECH-UHFFFAOYSA-N;138.17;1.44;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC5_SNa";;;;;;;1.64;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM454881;MM454881;CCNN=CC=CCCF;MVGOFGFPXZQERD-UHFFFAOYSA-N;144.19;1.5;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_C3";;;;;;;1.74;;0.29;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM454882;MM454882;CCC1=COC(C=O)=CC1;SAKWHXKBYBFIBQ-UHFFFAOYSA-N;138.17;1.78;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC4_SNa";;;;;;;2.2;;0.34;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM454883;MM454883;CCOC=CC=NOCC;MCSSAYJUTFFZIP-UHFFFAOYSA-N;143.19;1.56;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_Na";;;;;;;1.64;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM454884;MM454884;C=CC1=CCC(CO)=CO1;LPSNSMMGKRAXLQ-UHFFFAOYSA-N;138.17;1.35;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNda_SC4";;;;;;;2.2;;0.49;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM454885;MM454885;CNc1oc(=O)oc1NC;YPKGYHPCFDKVQM-UHFFFAOYSA-N;144.13;0.32;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP2_P2";;;;;;;-1.34;;-4.31;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM454886;MM454886;O=CC1=CCC(CO)=CO1;ZCKSMSNGQXTGGJ-UHFFFAOYSA-N;140.14;0.37;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNda_SNa";;;;;;;0.87;;-1.99;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM454887;MM454887;CCON=CC=NOCC;KYGYKLMKEKBZQX-UHFFFAOYSA-N;144.17;1.03;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_Na";;;;;;;0.87;;-2.22;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM454888;MM454888;C=CC1=CCC(CF)=CO1;ZYUSJDLQTLSXRO-UHFFFAOYSA-N;140.16;2.33;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC5_SC4";;;;;;;2.97;;0.45;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM454889;MM454889;CCCC=NN=CCCC;MREJHSSUOXPZPS-UHFFFAOYSA-N;140.23;2.64;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1_C5";;;;;;;3.68;;0.46;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM454890;MM454890;O=CC1=CCC(CF)=CO1;LLEPVJJPXCTHBS-UHFFFAOYSA-N;142.13;1.34;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC5_SNa";;;;;;;1.64;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM454891;MM454891;CCCC=NN=CCCN;AOQPLEUANXNPKI-UHFFFAOYSA-N;141.22;1.19;;;;;DOPC;MDCG;27;1;"MARTINI bead: C5_Nd";;;;;;;1.64;;-2.32;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM454892;MM454892;N#CC1=CCC(CF)=CO1;YCPXFHRJFYKWPR-UHFFFAOYSA-N;139.13;1.67;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC5_SNa";;;;;;;1.64;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM454893;MM454893;NCCC=NN=CCCN;TUODRCJHXWAOOF-UHFFFAOYSA-N;142.21;-0.26;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_P1";;;;;;;0.04;;-5.35;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM454894;MM454894;C=CC1=CCC(OC)=CO1;GNDUOOWAYUAVHE-UHFFFAOYSA-N;138.17;1.96;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNa_SC4";;;;;;;2.2;;0.34;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM454895;MM454895;FCCC=NN=CCCF;DZUGSJDMAWAJKA-UHFFFAOYSA-N;148.16;1.76;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_C4";;;;;;;1.37;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM454896;MM454896;COC1=COC(C=O)=CC1;ZAMDXYYQDAOCJL-UHFFFAOYSA-N;140.14;0.98;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNa_SNa";;;;;;;0.87;;-2.22;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM454897;MM454897;CCOC=NN=CCCN;GKPDYCJKTITILU-UHFFFAOYSA-N;143.19;0.39;;;;;DOPC;MDCG;27;1;"MARTINI bead: Na_Nd";;;;;;;0.87;;-4.31;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM454898;MM454898;COC1=COC(C#N)=CC1;SPANBUUPSNIKQX-UHFFFAOYSA-N;137.14;1.3;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNa_SNa";;;;;;;0.87;;-2.22;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM454899;MM454899;CCOC=NN=CCCO;PNUZWVBUGBPTSY-UHFFFAOYSA-N;144.17;0.42;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_Nda";;;;;;;0.87;;-1.99;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM454900;MM454900;C=CC1=NC=C(CF)CN1;NQYKNPYMGDUXTC-UHFFFAOYSA-N;140.16;1.03;;;;;DOPC;MDCG;27;1;"MARTINI bead: SP1_SNd";;;;;;;0.04;;-5.31;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM454901;MM454901;CCOC=NN=CCOC;VARFRDPVDHIZHX-UHFFFAOYSA-N;144.17;0.68;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_Na";;;;;;;0.87;;-2.22;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM454902;MM454902;O=CC1=NC=C(CF)CN1;WWLDEIZAXAJNPA-UHFFFAOYSA-N;142.13;0.04;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP1_SNda";;;;;;;0.04;;-2.73;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM454903;MM454903;C=CCC=CC=CCCC;NABUZQNCSRPFNH-UHFFFAOYSA-N;136.24;3.48;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1_C2";;;;;;;4.87;;0.53;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM454904;MM454904;C=CC1=CN=C(CN)NC1;HIUWFFPOFAHCEM-UHFFFAOYSA-N;137.19;0.02;;;;;DOPC;MDCG;27;1;"MARTINI bead: SP2_SP1";;;;;;;-1.06;;-5.55;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM454905;MM454905;C=CCC=CC=CCCN;HXWXAURUBHWQHP-UHFFFAOYSA-N;137.23;2.02;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_C2";;;;;;;2.83;;-0.71;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM454906;MM454906;C=CC1=CNC(NC)=NC1;VBTSAJQABHDSJF-UHFFFAOYSA-N;137.19;0.23;;;;;DOPC;MDCG;27;1;"MARTINI bead: SP1_SP1";;;;;;;-0.79;;-7.46;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM454907;MM454907;C=CCC=CC=CCNC;UYFQJMYGMGDHRC-UHFFFAOYSA-N;137.23;1.89;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_C1";;;;;;;2.91;;-0.18;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM454908;MM454908;CNC1=NCC(C=O)=CN1;ZZEAYSUQHVMRDI-UHFFFAOYSA-N;139.16;-0.75;;;;;DOPC;MDCG;27;1;"MARTINI bead: SP1_SP2";;;;;;;-1.06;;-7.64;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM454909;MM454909;CCCC=CC=CNC=O;IMRVKZYCNIXTCI-UHFFFAOYSA-N;139.2;1.6;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1_P2";;;;;;;1.8;;0.4;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM454910;MM454910;C=CC1=CNC(NO)=NC1;WBLXREONHSZJHC-UHFFFAOYSA-N;139.16;-0.01;;;;;DOPC;MDCG;27;1;"MARTINI bead: SP2_SP1";;;;;;;-1.06;;-6.02;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM454911;MM454911;N=CNC=CC=CCCN;BGSSZQXLMQABOI-UHFFFAOYSA-N;139.2;0.6;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_P1";;;;;;;0.04;;-6.54;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM454912;MM454912;C=CC1=NNC(NC)=NC1;JVUIZQRXLQYNTE-UHFFFAOYSA-N;138.17;-0.29;;;;;DOPC;MDCG;27;1;"MARTINI bead: SP1_SP1";;;;;;;-0.79;;-4.6;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM454913;MM454913;N=CNC=CC=CCCF;RVTKKNDZFSZUKO-UHFFFAOYSA-N;142.18;1.61;;;;;DOPC;MDCG;27;1;"MARTINI bead: C5_P2";;;;;;;0.54;;-4.93;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM454914;MM454914;CNC1=NCC(C=O)=NN1;MPAACNXMGYOIDP-UHFFFAOYSA-N;140.15;-1.28;;;;;DOPC;MDCG;27;1;"MARTINI bead: SP1_SP1";;;;;;;-0.79;;-4.38;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM454915;MM454915;COCC=CC=CNC=O;KBUOVYDDUNVJRK-UHFFFAOYSA-N;141.17;0.45;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4_P3";;;;;;;0.23;;-1.03;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM454916;MM454916;C=C(C#N)NC(C)=NOC;LURMNUPRBBTDMZ-UHFFFAOYSA-N;139.16;0.59;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_N0";;;;;;;0.34;;-1.53;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM454917;MM454917;CCCC=CC=COC=O;XKEQTZVDQFWWFA-UHFFFAOYSA-N;140.18;2.03;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1_Na";;;;;;;2.91;;0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM454918;MM454918;C=CC1=COC(CC)=CC1;SSHUSPSRTRCBJE-UHFFFAOYSA-N;136.19;2.77;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC4_SC4";;;;;;;3.53;;0.53;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM454919;MM454919;CCNN=CC(C#N)CC;DBXMQQATTZHVIZ-UHFFFAOYSA-N;139.2;1.13;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_C5";;;;;;;0.81;;-0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM454920;MM454920;CCC1=CCC(C=O)=CO1;AAAHOOVUJWOMLN-UHFFFAOYSA-N;138.17;1.78;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC4_SNa";;;;;;;2.2;;0.34;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM454921;MM454921;C=COC=CC=CCNC;VZWJLZZMNBZACX-UHFFFAOYSA-N;139.2;1.44;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_C5";;;;;;;1.64;;-2.27;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM454922;MM454922;C=CC1=COC(CO)=CC1;MSAKCHDNCNBWPC-UHFFFAOYSA-N;138.17;1.35;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNda_SC4";;;;;;;2.2;;0.49;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM454923;MM454923;CCOC=CC=CNC=N;VYBKEUWQISRWCM-UHFFFAOYSA-N;140.19;1.25;;;;;DOPC;MDCG;27;1;"MARTINI bead: C5_P2";;;;;;;0.54;;-4.87;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM454924;MM454924;O=CC1=COC(CO)=CC1;AAXJMKSQFNKJGP-UHFFFAOYSA-N;140.14;0.37;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNda_SNa";;;;;;;0.87;;-1.99;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM454925;MM454925;NCCC=CC=NNC=O;DZEOAOMKIDKZSM-UHFFFAOYSA-N;141.17;-0.38;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_P1";;;;;;;0.04;;-5.39;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM454926;MM454926;C=CC1=COC(CF)=CC1;NRTLDOJXFCAGAS-UHFFFAOYSA-N;140.16;2.33;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC5_SC4";;;;;;;2.97;;0.45;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM454927;MM454927;CNCC=CC=NNC=N;KLRKMZDRGOHOOT-UHFFFAOYSA-N;140.19;-0.06;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_P2";;;;;;;-0.24;;-5.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM454928;MM454928;C=CC1=COC(CC)=CO1;PNBOEOBHGSKIOO-UHFFFAOYSA-N;138.17;2.31;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC5_SNa";;;;;;;1.64;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM454929;MM454929;CNCC=CC=NNC=O;QHXVANHCSRDZRO-UHFFFAOYSA-N;141.17;-0.51;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_P1";;;;;;;0.04;;-5;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM454930;MM454930;CCC1=COC(C=O)=CO1;DDPWXOKPWAKLQV-UHFFFAOYSA-N;140.14;1.32;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC5_SNa";;;;;;;1.64;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM454931;MM454931;CCCC=CC=NOC=O;DBRSYELCQNTIOD-UHFFFAOYSA-N;141.17;1.5;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1_P1";;;;;;;2.08;;0.48;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM454932;MM454932;CCC1=COC(C#N)=CO1;DPSXWSCKXVOYHO-UHFFFAOYSA-N;137.14;1.65;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC5_SNa";;;;;;;1.64;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM454933;MM454933;CNCC=CC=NOC=O;KKDJZGAWLHWFIZ-UHFFFAOYSA-N;142.16;-0.08;;;;;DOPC;MDCG;27;1;"MARTINI bead: C5_P2";;;;;;;0.54;;-3.45;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM454934;MM454934;C=CC1=COC(CN)=CO1;VENQFNJXHUYRRU-UHFFFAOYSA-N;139.15;0.86;;;;;DOPC;MDCG;27;1;"MARTINI bead: SP1_SNa";;;;;;;0.04;;-3.89;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM454935;MM454935;CCN=CC=CNNC=N;HZWGAMHSKNZPCT-UHFFFAOYSA-N;140.19;0.29;;;;;DOPC;MDCG;27;1;"MARTINI bead: C5_P4";;;;;;;-0.41;;-5.17;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM454936;MM454936;C=CC1=COC(CO)=CO1;TWDMWSZSGIKPDV-UHFFFAOYSA-N;140.14;0.89;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNda_SNa";;;;;;;0.87;;-1.99;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM454937;MM454937;CCOC=CC=NNC=O;XNUJEAGUDBKNBJ-UHFFFAOYSA-N;142.16;0.27;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_P2";;;;;;;0.54;;-1.09;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM454938;MM454938;O=CC1=COC(CO)=CO1;SDEDUQGRMQRBLW-UHFFFAOYSA-N;142.11;-0.09;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNda_SNa";;;;;;;0.87;;-1.99;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM454939;MM454939;CCOC=CC=NOC=O;VDASXWQKOQALHX-UHFFFAOYSA-N;143.14;0.7;;;;;DOPC;MDCG;27;0;"MARTINI bead: C3_P2";;;;;;;1.46;;-0.15;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM454940;MM454940;C=CC1=COC(CF)=CO1;ZMKCGVKGVZEDRZ-UHFFFAOYSA-N;142.13;1.87;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNa_SNa";;;;;;;0.87;;-2.22;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM454941;MM454941;C=COC=CC=NOCC;MDVVEMGVDMPNLN-UHFFFAOYSA-N;141.17;1.68;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_C5";;;;;;;1.64;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM454942;MM454942;O=CC1=COC(CF)=CO1;WNRNVMHGRDBGMI-UHFFFAOYSA-N;144.1;0.88;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNa_SNa";;;;;;;0.87;;-2.22;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM454943;MM454943;C#CC(CC)=NNCC#N;UYFYFFIKJLMYGS-UHFFFAOYSA-N;135.17;0.5;;;;;DOPC;MDCG;27;0;"MARTINI bead: C3_P3";;;;;;;0.6;;-0.8;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM454944;MM454944;N#CC1=COC(CF)=CO1;FDBWMZZEUMOZCR-UHFFFAOYSA-N;141.1;1.21;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNa_SNa";;;;;;;0.87;;-2.22;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM454945;MM454945;CCON=CC=NOC=O;GLTGLNHKOFJLOS-UHFFFAOYSA-N;144.13;0.17;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_P2";;;;;;;0.54;;-1.09;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM454946;MM454946;CCCONC(=N)OC=O;QPHIRRLNRIJAJS-UHFFFAOYSA-N;146.15;0.03;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda_P1";;;;;;;0.04;;-2.73;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM454947;MM454947;C=CNC=NC=NCCN;MUYFHLNUDOTWSI-UHFFFAOYSA-N;140.19;-0.27;;;;;DOPC;MDCG;27;1;"MARTINI bead: P4_Nd";;;;;;;-1.19;;-6.34;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM454948;MM454948;C=NNCCC(=O)C=CN;HLEOLKUQVXOSDQ-UHFFFAOYSA-N;141.17;-0.38;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_Nd";;;;;;;-0.24;;-3.16;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM454949;MM454949;C=CCC=NN=CCCC;ONMJZZWUPIPDTD-UHFFFAOYSA-N;138.21;2.42;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_C3";;;;;;;3.34;;0.48;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM454950;MM454950;C=NNC1CN(C(C)=O)C1;WJUXNJJWDAFHPH-UHFFFAOYSA-N;141.17;-0.58;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP1_SP2";;;;;;;-1.06;;-3.82;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM454951;MM454951;N#CCC=NN=CCCO;IIXWAJWFPXVQNW-UHFFFAOYSA-N;139.16;0.34;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_C5";;;;;;;0.81;;-0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM454952;MM454952;C=C1N=C(C#CC)NC1=N;PZFDACRZUWIURS-UHFFFAOYSA-N;133.15;0.5;;;;;DOPC;MDCG;27;0;"MARTINI bead: SN0_SP1";;;;;;;0.34;;-1.53;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM454953;MM454953;N#CCC=NN=CCCF;UAZHJYMZBFXLPM-UHFFFAOYSA-N;141.15;1.32;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4_P1";;;;;;;1.37;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM454954;MM454954;CN=C(NC(=N)OC)OC;JABFOPVIPOHZNE-UHFFFAOYSA-N;145.16;-0.21;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_Na";;;;;;;-0.24;;-3.24;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM454955;MM454955;C=COC=NN=CCCN;HGVDVNKCPHNHGU-UHFFFAOYSA-N;141.17;0.51;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_Na";;;;;;;0.87;;-4.31;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM454956;MM454956;C#CC1=CCC(CN)=CC1;OQDOIGFARNAXAB-UHFFFAOYSA-N;133.19;1.22;;;;;DOPC;MDCG;27;1;"MARTINI bead: SNd_SC4";;;;;;;2.2;;-1.66;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM454957;MM454957;C=COC=NN=CCCO;RZJBWURIQQYSNV-UHFFFAOYSA-N;142.16;0.54;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_C5";;;;;;;0.81;;-0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM454958;MM454958;CCC1(C#N)COC(=N)N1;JBQJPTVXTKXMTF-UHFFFAOYSA-N;139.16;0.21;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP1_SP2";;;;;;;-1.06;;-3.82;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM454959;MM454959;C=COC=NN=CCOC;NQTLFSMLRBYMNG-UHFFFAOYSA-N;142.16;0.81;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_Na";;;;;;;0.87;;-2.22;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM454960;MM454960;C#CC1=CCC(CC)=CO1;FTTFWKGHEQFOAO-UHFFFAOYSA-N;134.18;2.22;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC4_SC5";;;;;;;2.97;;0.45;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM454961;MM454961;C=CCC=NN=COCC;QEFHZOBGIXPISP-UHFFFAOYSA-N;140.19;1.61;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_N0";;;;;;;1.17;;-1.18;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM454962;MM454962;C#CC1=CCC(CN)=CO1;NCZGLNCDWNBRTN-UHFFFAOYSA-N;135.17;0.77;;;;;DOPC;MDCG;27;1;"MARTINI bead: SNd_SC5";;;;;;;1.64;;-2.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM454963;MM454963;CCOC=NN=CCC=O;TZNFRFLOEKWWCC-UHFFFAOYSA-N;142.16;0.63;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_Na";;;;;;;0.87;;-2.22;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM454964;MM454964;C#CC1=CCC(CF)=CO1;IKKDWIJRBAPFDO-UHFFFAOYSA-N;138.14;1.78;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC5_SC5";;;;;;;2.41;;0.64;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM454965;MM454965;CCOC=NN=CCC#N;BKESZTHWKQKJBE-UHFFFAOYSA-N;139.16;0.95;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_Na";;;;;;;1.64;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM454966;MM454966;C#CC1=COC(CC)=CO1;JIFKYCULHASVAO-UHFFFAOYSA-N;136.15;1.76;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC5_SNa";;;;;;;1.64;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM454967;MM454967;C#CC12CC1NC(C=O)=N2;PZSAUQUCTNBEMK-UHFFFAOYSA-N;134.14;-0.67;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP2_SP1";;;;;;;-1.06;;-3.82;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM454968;MM454968;C#CC1=COC(CN)=CO1;MEMQEDWJMLUGHK-UHFFFAOYSA-N;137.14;0.31;;;;;DOPC;MDCG;27;1;"MARTINI bead: SP1_SNa";;;;;;;0.04;;-3.89;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM454969;MM454969;C=COC=NN=COCC;KEGXJXIASURGNA-UHFFFAOYSA-N;142.16;1.15;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_Na";;;;;;;0.87;;-2.22;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM454970;MM454970;C#CC1=COC(CF)=CO1;IKHKLOGLFJOMLK-UHFFFAOYSA-N;140.11;1.32;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNa_SNa";;;;;;;0.87;;-2.22;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM454971;MM454971;CCOC=NN=COC=O;LJIHZQUISXRBCU-UHFFFAOYSA-N;144.13;0.17;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_P1";;;;;;;0.81;;-0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM454972;MM454972;C=CC1=COC(C=C)=CC1;SJYPMJKTOPDRNZ-UHFFFAOYSA-N;134.18;2.55;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC4_SC4";;;;;;;3.53;;0.53;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM454973;MM454973;C=NOC=NN=COCC;PHOVRULJGZTLLF-UHFFFAOYSA-N;143.15;0.63;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_P1";;;;;;;0.81;;-0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM454974;MM454974;C=CC1=COC(C=O)=CC1;PRZSNGGQIYWQSL-UHFFFAOYSA-N;136.15;1.56;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC4_SNa";;;;;;;2.2;;0.34;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM454975;MM454975;C#CCC=CC=CCCC;KUMJUQXVJCJQPH-UHFFFAOYSA-N;134.22;2.92;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1_C3";;;;;;;4.61;;0.31;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM454976;MM454976;C=CC1=COC(C#N)=CC1;CZXXTKPZBWGURT-UHFFFAOYSA-N;133.15;1.88;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC4_SNa";;;;;;;2.2;;0.34;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM454977;MM454977;C#CCC=CC=CCNC;NNUQDQFHTLXLGU-UHFFFAOYSA-N;135.21;1.34;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_C3";;;;;;;2.57;;-1.1;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM454978;MM454978;N#CC1=CCC(C=O)=CO1;INTPXTRRWIFEKT-UHFFFAOYSA-N;135.12;0.9;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNa_SNa";;;;;;;0.87;;-2.22;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM454979;MM454979;C#CCC=CC=CCOC;AZTVMBVCTKCQTD-UHFFFAOYSA-N;136.19;1.77;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_C3";;;;;;;2.57;;0.45;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM454980;MM454980;O=CC1=CNC(C=O)=CN1;BGFDLSKMJHETLD-UHFFFAOYSA-N;138.13;-0.74;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP2_SP2";;;;;;;-1.34;;-4.31;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM454981;MM454981;C#CCC=CC=COCC;ZQVUQSMYVSFFST-UHFFFAOYSA-N;136.19;2.12;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_C3";;;;;;;2.57;;0.45;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM454982;MM454982;C=CC1=COC(C=C)=CO1;JHHKGBUAFRYJHB-UHFFFAOYSA-N;136.15;2.09;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNa_SNa";;;;;;;0.87;;-2.22;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM454983;MM454983;C#CCC=CC=NNCC;JJRROGQVOCXGJH-UHFFFAOYSA-N;136.2;1.16;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_C3";;;;;;;1.74;;0.29;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM454984;MM454984;C=CC1=COC(C=O)=CO1;PGFZLGCPFRFRRQ-UHFFFAOYSA-N;138.12;1.1;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNa_SNa";;;;;;;0.87;;-2.22;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM454985;MM454985;C=CC1=COC(C#N)=CO1;DMMHPHFFFRHFCL-UHFFFAOYSA-N;135.12;1.43;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNa_SNa";;;;;;;0.87;;-2.22;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM454986;MM454986;C#CCC=NN=CCCN;ZSSPWKMUNOJDJH-UHFFFAOYSA-N;137.19;0.42;;;;;DOPC;MDCG;27;1;"MARTINI bead: P2_C5";;;;;;;0.54;;-3.5;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM454987;MM454987;N#CC1=COC(C=O)=CO1;DLQPTLVVPVPCFU-UHFFFAOYSA-N;137.09;0.44;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNa_SNa";;;;;;;0.87;;-2.22;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM454988;MM454988;C=CCC=CC=CCC=C;ZHXWCVYHXJKRHQ-UHFFFAOYSA-N;134.22;3.25;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1_C3";;;;;;;4.61;;0.31;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM454989;MM454989;C#CC1=CCC(C=C)=CO1;NXLSLQFNEJZBJW-UHFFFAOYSA-N;132.16;1.99;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC4_SC5";;;;;;;2.97;;0.45;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM454990;MM454990;C=CCC=CC=CCC=O;OXDYJJMUWDKZBG-UHFFFAOYSA-N;136.19;2.26;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1_Na";;;;;;;2.91;;0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM454991;MM454991;N#CCC=CC=CCC=O;HRZCLEJYQDZJTG-UHFFFAOYSA-N;135.17;1.6;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_N0";;;;;;;1.17;;-1.18;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM454992;MM454992;C#CC1=CCC(C=O)=CO1;FWBURJRIMGEZEZ-UHFFFAOYSA-N;134.13;1.01;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNa_SC5";;;;;;;1.64;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM454993;MM454993;N#CCC=CC=CCC#N;HYQKXJRXDHERFA-UHFFFAOYSA-N;132.17;1.93;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_P1";;;;;;;0.81;;-0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM454994;MM454994;C#CC1=COC(C=C)=CO1;SOWMCEVVLRKCOP-UHFFFAOYSA-N;134.13;1.54;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNa_SNa";;;;;;;0.87;;-2.22;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM454995;MM454995;C#CC1=COC(C=O)=CO1;MQDPJQDKGPCNHY-UHFFFAOYSA-N;136.11;0.55;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNa_SNa";;;;;;;0.87;;-2.22;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM454996;MM454996;C=CCC=CC=CNC=O;BOGOYVMWLSOWJG-UHFFFAOYSA-N;137.18;1.38;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1_P3";;;;;;;0.94;;0.03;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM454997;MM454997;CCC(CC)CCC1CC1;WFGWJVVADDQUPL-UHFFFAOYSA-N;140.27;3.61;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1_SC5";;;;;;;3.68;;0.46;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM454998;MM454998;C=CCC=CC=COC=C;YIVNHGBYWQLIDS-UHFFFAOYSA-N;136.19;2.79;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1_Na";;;;;;;2.91;;0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM454999;MM454999;CCC(CN)CCC1CC1;CPPSJJSIECXZOP-UHFFFAOYSA-N;141.26;2.16;;;;;DOPC;MDCG;27;1;"MARTINI bead: C5_SC5";;;;;;;2.41;;-0.5;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM455000;MM455000;C=COC=CC=CCC=O;QBXBBYTYHWNGTK-UHFFFAOYSA-N;138.17;1.81;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_Na";;;;;;;1.64;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM455001;MM455001;C=CC1(C#N)ONC(=N)O1;MBZRFCXYBFMYNS-UHFFFAOYSA-N;139.11;-0.12;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP1_SP2";;;;;;;-1.06;;-3.82;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM455002;MM455002;C=COC=CC=CCC#N;LITHQROHTSSKGT-UHFFFAOYSA-N;135.17;2.13;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_N0";;;;;;;1.94;;0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM455003;MM455003;CCC(CF)CCC1CC1;GHWWWMDAXCAFDT-UHFFFAOYSA-N;144.23;3.17;;;;;DOPC;MDCG;27;0;"MARTINI bead: C2_SC5";;;;;;;3.6;;0.34;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM455004;MM455004;N=CNC=CC=CNC=N;ZMVDZPSULZVRCW-UHFFFAOYSA-N;138.17;0.41;;;;;DOPC;MDCG;27;1;"MARTINI bead: P3_Nd";;;;;;;-1.1;;-7.83;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM455005;MM455005;NCC(CO)CCC1CC1;RMQYRHAFIRZBCH-UHFFFAOYSA-N;143.23;0.74;;;;;DOPC;MDCG;27;1;"MARTINI bead: P2_SC5";;;;;;;0.54;;-3.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM455006;MM455006;N=CNC=CC=CNC=O;CYQWITNKIYURAH-UHFFFAOYSA-N;139.16;-0.04;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_P3";;;;;;;-1.1;;-7.62;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM455007;MM455007;CNC(CF)CCC1CC1;QHVIGNFYJPWYLG-UHFFFAOYSA-N;145.22;1.73;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nda_SC5";;;;;;;1.64;;-1.54;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM455008;MM455008;C=COC=CC=CNC=N;WJWDPIIYTPGWKI-UHFFFAOYSA-N;138.17;1.37;;;;;DOPC;MDCG;27;1;"MARTINI bead: C5_P2";;;;;;;0.54;;-4.87;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM455009;MM455009;CCC(CCC1CC1)OC;AXSCYIJKJHMXPJ-UHFFFAOYSA-N;142.24;2.6;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4_SC5";;;;;;;2.97;;0.45;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM455010;MM455010;O=CNC=CC=COC=O;IKXIAAIAXHPAKC-UHFFFAOYSA-N;141.13;-0.07;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda_P1";;;;;;;0.04;;-2.73;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM455011;MM455011;COC(CN)CCC1CC1;GZEZKMLXPBTPES-UHFFFAOYSA-N;143.23;1.15;;;;;DOPC;MDCG;27;1;"MARTINI bead: P2_SC5";;;;;;;0.54;;-3.15;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM455012;MM455012;C=COC=CC=COC=C;PJLMOZVMYLXCLB-UHFFFAOYSA-N;138.17;2.33;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_C5";;;;;;;2.41;;0.64;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM455013;MM455013;COC(CO)CCC1CC1;FOMYEEFTYVOTNJ-UHFFFAOYSA-N;144.21;1.18;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_SC5";;;;;;;0.81;;-0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM455014;MM455014;Nc1coc(=NN2CC2)o1;VVJYZMQRPOTYPA-UHFFFAOYSA-N;141.13;-0.41;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP3_SP2";;;;;;;-2.2;;-5.19;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM455015;MM455015;COC(CF)CCC1CC1;FEJDIKJMZJTKBS-UHFFFAOYSA-N;146.21;2.16;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_SC5";;;;;;;1.64;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM455016;MM455016;C=CCC=CC=NOC=O;YZBXKVPWWWJBMU-UHFFFAOYSA-N;139.15;1.28;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1_P2";;;;;;;1.8;;0.4;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM455017;MM455017;CCC(CC)NCC1CC1;GLGDOWUWSLCTNP-UHFFFAOYSA-N;141.26;2.17;;;;;DOPC;MDCG;27;1;"MARTINI bead: C5_SC5";;;;;;;2.41;;-1.26;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM455018;MM455018;N#CCC=CC=NOC=O;PZNNBOKCCUUFIP-UHFFFAOYSA-N;138.13;0.62;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_C5";;;;;;;0.54;;-1.09;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM455019;MM455019;CCC(CN)NCC1CC1;OMQMLEIYZRQMOX-UHFFFAOYSA-N;142.25;0.72;;;;;DOPC;MDCG;27;1;"MARTINI bead: P2_SC5";;;;;;;0.54;;-4.11;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM455020;MM455020;C=NN=CC=CNNC=N;ILUWGBOCHZFSCW-UHFFFAOYSA-N;139.16;-0.11;;;;;DOPC;MDCG;27;1;"MARTINI bead: N0_P5";;;;;;;-0.81;;-6.65;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM455021;MM455021;CCC(CO)NCC1CC1;BXYJJRROXCLKRI-UHFFFAOYSA-N;143.23;0.76;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1_SC5";;;;;;;0.81;;-3.34;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM455022;MM455022;C=NN=CC=CNNC=O;GTSOFKKTCDQUOY-UHFFFAOYSA-N;140.15;-0.56;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_P4";;;;;;;-0.41;;-2.78;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM455023;MM455023;NCC(CN)NCC1CC1;SPJHLOBBHOTQTH-UHFFFAOYSA-N;143.23;-0.73;;;;;DOPC;MDCG;27;1;"MARTINI bead: P4_SC5";;;;;;;-0.41;;-5.2;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM455024;MM455024;C=CCON=CNOC=O;JLNJQAJTKOKCAW-UHFFFAOYSA-N;144.13;-0.19;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_P2";;;;;;;-0.24;;-3.24;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM455025;MM455025;NCC(CF)NCC1CC1;LOVZCSWKMDSHOU-UHFFFAOYSA-N;146.21;0.28;;;;;DOPC;MDCG;27;1;"MARTINI bead: P4_SC5";;;;;;;-0.41;;-4.73;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM455026;MM455026;CCC(C#CC1CO1)=NN;GESMQJCOECZCMD-UHFFFAOYSA-N;138.17;0.11;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_SNa";;;;;;;1.64;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM455027;MM455027;CCC(CC)OCC1CC1;OQXWNANDRYDHJI-UHFFFAOYSA-N;142.24;2.6;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_SC5";;;;;;;2.41;;0.64;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM455028;MM455028;C=COC=CC=NNC=O;YZDVTIBXXXFSDI-UHFFFAOYSA-N;140.14;0.39;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_P2";;;;;;;0.54;;-1.09;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM455029;MM455029;CCC(CO)OCC1CC1;GSZNBXWDHDRBBE-UHFFFAOYSA-N;144.21;1.18;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_SC5";;;;;;;0.81;;-0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM455030;MM455030;C=COC=CC=NOC=O;YLVXJEOCURJFEW-UHFFFAOYSA-N;141.13;0.82;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_P1";;;;;;;0.81;;-0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM455031;MM455031;CCC(OC)OCC1CC1;MXSYWGXQTYTVMV-UHFFFAOYSA-N;144.21;1.8;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_SC5";;;;;;;1.64;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM455032;MM455032;N#CC(=N)NN1CC1;PWISPLJSGNAYIX-UHFFFAOYSA-N;110.12;-0.69;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_SP3";;;;;;;-1.93;;-4.72;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM455033;MM455033;CCC(CC)CNC1CC1;AVEDMGCHOQBVAK-UHFFFAOYSA-N;141.26;2.17;;;;;DOPC;MDCG;27;1;"MARTINI bead: C1_SP1";;;;;;;2.08;;-1.39;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM455034;MM455034;C=CCC=NN=CCC#N;YUCOSJUALBODRN-UHFFFAOYSA-N;135.17;1.53;;;;;DOPC;MDCG;27;0;"MARTINI bead: C3_P1";;;;;;;1.74;;0.29;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM455035;MM455035;CCC(CN)CNC1CC1;TYFDLIMKIQAEFH-UHFFFAOYSA-N;142.25;0.72;;;;;DOPC;MDCG;27;1;"MARTINI bead: C5_SP1";;;;;;;0.81;;-3.35;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM455036;MM455036;N#CCC=NN=CCC=O;ACCGBKFOANRFCC-UHFFFAOYSA-N;137.14;0.55;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_C5";;;;;;;1.64;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM455037;MM455037;CCC(CO)CNC1CC1;WECOFHJXKGOHTE-UHFFFAOYSA-N;143.23;0.76;;;;;DOPC;MDCG;27;1;"MARTINI bead: C5_SP1";;;;;;;0.81;;-2.99;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM455038;MM455038;N#CCC=NN=CCC#N;HLFKZRQJHPABDV-UHFFFAOYSA-N;134.14;0.87;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_C5";;;;;;;0.81;;-0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM455039;MM455039;CCC(CF)CNC1CC1;RDBOGECUBDHCQY-UHFFFAOYSA-N;145.22;1.73;;;;;DOPC;MDCG;27;1;"MARTINI bead: C2_SP1";;;;;;;2;;-1.27;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM455040;MM455040;CON=CNOC=O;BSAOEPQUJODIFV-UHFFFAOYSA-N;118.09;-0.75;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_P2";;;;;;;-1.06;;-3.82;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM455041;MM455041;NCC(CF)CNC1CC1;HCRKSDBDRGVXCN-UHFFFAOYSA-N;146.21;0.28;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nda_SP1";;;;;;;0.04;;-5.36;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM455042;MM455042;CCC=NNCC#N;BYEBSFMXLAAJJH-UHFFFAOYSA-N;111.15;0.5;;;;;DOPC;MDCG;27;0;"MARTINI bead: C3_P3";;;;;;;0.6;;-0.8;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM455043;MM455043;FCC(CF)CNC1CC1;FIMUAAVXKZOPFR-UHFFFAOYSA-N;149.18;1.29;;;;;DOPC;MDCG;27;1;"MARTINI bead: C5_SP1";;;;;;;0.81;;-2.79;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM455044;MM455044;C=COC=NN=CCC=O;DZYRDVWZCKEPDL-UHFFFAOYSA-N;140.14;0.75;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_Na";;;;;;;0.87;;-2.22;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM455045;MM455045;CCC(CNC1CC1)NC;NVJZJVHQJAZTSC-UHFFFAOYSA-N;142.25;0.74;;;;;DOPC;MDCG;27;1;"MARTINI bead: C5_SP1";;;;;;;0.81;;-3;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM455046;MM455046;C=COC=NN=CCC#N;XCROXPHYQBSJNU-UHFFFAOYSA-N;137.14;1.07;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_P1";;;;;;;0.81;;-0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM455047;MM455047;CNC(CN)CNC1CC1;SLZSGBWNBONAON-UHFFFAOYSA-N;143.23;-0.71;;;;;DOPC;MDCG;27;1;"MARTINI bead: P2_SP1";;;;;;;-1.06;;-5.87;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM455048;MM455048;N#CCC=NN=COC=O;FOVPWVNZBFBTKS-UHFFFAOYSA-N;139.11;0.09;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_C5";;;;;;;0.81;;-0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM455049;MM455049;CNC(CF)CNC1CC1;YOMYURVTSQKWOB-UHFFFAOYSA-N;146.21;0.3;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nda_SP1";;;;;;;0.04;;-4.43;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM455050;MM455050;C#CC1(OC)C=NNC1;YZYMJNHJPYLUIL-UHFFFAOYSA-N;124.14;-0.41;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP1_SP1";;;;;;;-0.79;;-3.13;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM455051;MM455051;CCC(CNC1CC1)OC;OHVDPSXWCQWVEJ-UHFFFAOYSA-N;143.23;1.16;;;;;DOPC;MDCG;27;1;"MARTINI bead: C4_SP1";;;;;;;1.37;;-2.12;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM455052;MM455052;CNc1coc(NC)c1;ZTCSAOQFMFXXEI-UHFFFAOYSA-N;126.16;1.36;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNd_SNd";;;;;;;0.87;;-2.11;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM455053;MM455053;COC(CO)CNC1CC1;UGCXHJRTWLDKDI-UHFFFAOYSA-N;145.2;-0.25;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1_SP1";;;;;;;-0.79;;-4.81;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM455054;MM455054;CCC(=O)C1CN1C=O;GTYLVWWZRHJZME-UHFFFAOYSA-N;127.14;-0.19;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_SP2";;;;;;;-0.24;;-3.24;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM455055;MM455055;CCC(CC)COC1CC1;GOABZJYGRHZKEV-UHFFFAOYSA-N;142.24;2.6;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1_SP1";;;;;;;2.08;;0.48;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM455056;MM455056;C=COC=NN=COC=O;NHOPTUORGYZEEF-UHFFFAOYSA-N;142.11;0.29;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_P1";;;;;;;0.81;;-0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM455057;MM455057;CCC(CO)COC1CC1;HZDXZKQWOLURHA-UHFFFAOYSA-N;144.21;1.18;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_SP1";;;;;;;0.81;;-0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM455058;MM455058;C=COC=NN=CON=C;QGDKYRLZOWAWHF-UHFFFAOYSA-N;141.13;0.75;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_P1";;;;;;;0.81;;-0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM455059;MM455059;NCC(CO)COC1CC1;RHPUJZFIHNFZGD-UHFFFAOYSA-N;145.2;-0.27;;;;;DOPC;MDCG;27;1;"MARTINI bead: P2_SP1";;;;;;;-1.06;;-6.19;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM455060;MM455060;C#CCC=CC=CCC=C;VEQQQPDGQIZJSU-UHFFFAOYSA-N;132.21;2.7;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1_C5";;;;;;;3.68;;0.46;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM455061;MM455061;NCC(CF)COC1CC1;HLFQMHWFBRIESW-UHFFFAOYSA-N;147.19;0.71;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nda_SP1";;;;;;;0.04;;-5.37;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM455062;MM455062;C#CCC=CC=CCC=O;CDECUWCWDPXRLJ-UHFFFAOYSA-N;134.18;1.71;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_C3";;;;;;;2.57;;0.45;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM455063;MM455063;CCC(COC1CC1)NC;UNMQQVDBXSQIDS-UHFFFAOYSA-N;143.23;1.16;;;;;DOPC;MDCG;27;1;"MARTINI bead: C5_SP1";;;;;;;0.81;;-2.99;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM455064;MM455064;C#CCC=CC=CNC=N;TVBLLECXFLEDMY-UHFFFAOYSA-N;134.18;1.28;;;;;DOPC;MDCG;27;1;"MARTINI bead: P2_C5";;;;;;;0.54;;-4.92;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM455065;MM455065;CNC(CN)COC1CC1;VIFTVNIORCVSLU-UHFFFAOYSA-N;144.22;-0.29;;;;;DOPC;MDCG;27;1;"MARTINI bead: P2_SP1";;;;;;;-1.06;;-6.03;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM455066;MM455066;C#CCC=CC=COC=C;GNNPRKJWQQBPSZ-UHFFFAOYSA-N;134.18;2.24;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_C3";;;;;;;2.57;;0.45;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM455067;MM455067;CNC(CO)COC1CC1;URBVSHADIMVNLF-UHFFFAOYSA-N;145.2;-0.25;;;;;DOPC;MDCG;27;1;"MARTINI bead: P2_SP1";;;;;;;-1.06;;-5.59;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM455068;MM455068;C#CCC=CC=NOC=O;BINOSQYUWBFKBG-UHFFFAOYSA-N;137.14;0.72;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_C3";;;;;;;1.46;;-0.15;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM455069;MM455069;CCN(CC)CCC1CC1;KRMOHKCJFQPONF-UHFFFAOYSA-N;141.26;2.13;;;;;DOPC;MDCG;27;1;"MARTINI bead: C5_SC5";;;;;;;2.41;;-0.57;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM455070;MM455070;CCCC=NNCC#N;WOQDOKYLQVZTCN-UHFFFAOYSA-N;125.18;0.89;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1_P3";;;;;;;0.94;;0.03;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM455071;MM455071;CCC(CN)CCC1CN1;DZYWOGQNRBYVLU-UHFFFAOYSA-N;142.25;0.72;;;;;DOPC;MDCG;27;1;"MARTINI bead: C5_SP1";;;;;;;0.81;;-3.29;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM455072;MM455072;C#CCC=NN=CON=C;KJGGSQMSYORFKT-UHFFFAOYSA-N;137.14;0.66;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_C5";;;;;;;0.81;;-0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM455073;MM455073;NCC(CN)CCC1CN1;GEZKCSBJARMMGL-UHFFFAOYSA-N;143.23;-0.73;;;;;DOPC;MDCG;27;1;"MARTINI bead: P2_SP1";;;;;;;-1.06;;-6.58;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM455074;MM455074;C#CCC=CC=CCC#C;URZNNFDYXSJBDP-UHFFFAOYSA-N;130.19;2.15;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_C3";;;;;;;3.34;;0.48;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM455075;MM455075;NCC(CO)CCC1CN1;QRQCYHASTGEXPQ-UHFFFAOYSA-N;144.22;-0.69;;;;;DOPC;MDCG;27;1;"MARTINI bead: P2_SP1";;;;;;;-1.06;;-6.26;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM455076;MM455076;CC=CC=CC=CCCC;WYBBYKCZFPSIGZ-UHFFFAOYSA-N;136.24;3.48;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1_C2";;;;;;;4.87;;0.53;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM455077;MM455077;CCC(CCC1CN1)NC;JUSZKPQJGWLRDY-UHFFFAOYSA-N;142.25;0.74;;;;;DOPC;MDCG;27;1;"MARTINI bead: C5_SP1";;;;;;;0.81;;-3.8;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM455078;MM455078;NCCC=CC=CC=CF;FETRVXCWARWCMP-UHFFFAOYSA-N;141.19;1.93;;;;;DOPC;MDCG;27;1;"MARTINI bead: C5_C4";;;;;;;2.97;;-0.03;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM455079;MM455079;CNC(CN)CCC1CN1;OPQDKYYKKJEYSO-UHFFFAOYSA-N;143.23;-0.71;;;;;DOPC;MDCG;27;1;"MARTINI bead: P2_SP1";;;;;;;-1.06;;-6.62;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM455080;MM455080;C=CCNN=CC(C)(F)F;MIWWQSGIDSFOQU-UHFFFAOYSA-N;148.16;1.4;;;;;DOPC;MDCG;27;0;"MARTINI bead: N0_Nd";;;;;;;1.17;;-1.04;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM455081;MM455081;CNC(CO)CCC1CN1;KKDSATLFZYJKPM-UHFFFAOYSA-N;144.22;-0.68;;;;;DOPC;MDCG;27;1;"MARTINI bead: P2_SP1";;;;;;;-1.06;;-6.41;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM455082;MM455082;NCCC=CC=CC=NO;ZCXFLEYPVCTVKQ-UHFFFAOYSA-N;140.19;0.91;;;;;DOPC;MDCG;27;1;"MARTINI bead: C5_P1";;;;;;;0.81;;-3.19;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM455083;MM455083;OCCC=CC=CC=NO;ZWXGFNBJBFQUSV-UHFFFAOYSA-N;141.17;0.94;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda_Nda";;;;;;;0.87;;-2.07;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM455084;MM455084;CNC(CF)CCC1CN1;SGIFCRGSICXXOX-UHFFFAOYSA-N;146.21;0.3;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nda_SP1";;;;;;;0.04;;-4.41;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM455085;MM455085;CC=CC=CC=CCNC;OAHHYBGACBZUQC-UHFFFAOYSA-N;137.23;1.89;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_C1";;;;;;;2.91;;-0.18;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM455086;MM455086;COC(CN)CCC1CN1;QNIXGRNKKPUVIM-UHFFFAOYSA-N;144.22;-0.29;;;;;DOPC;MDCG;27;1;"MARTINI bead: P2_SP1";;;;;;;-1.06;;-5.91;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM455087;MM455087;CNCC=CC=CC=NN;HPVIHQCBRDEQPB-UHFFFAOYSA-N;139.2;0.26;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_Nd";;;;;;;0.87;;-4.49;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM455088;MM455088;CCC(CC)NCC1CN1;FTVKRFLQRJVEJU-UHFFFAOYSA-N;142.25;0.74;;;;;DOPC;MDCG;27;1;"MARTINI bead: C5_SP1";;;;;;;0.81;;-3.03;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM455089;MM455089;CC=CC=CC=COCC;HKCCJIPADSGYFQ-UHFFFAOYSA-N;138.21;2.67;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_C1";;;;;;;2.91;;0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM455090;MM455090;CCC(CN)NCC1CN1;XDFUYEGNPGSQEO-UHFFFAOYSA-N;143.23;-0.71;;;;;DOPC;MDCG;27;1;"MARTINI bead: P2_SP1";;;;;;;-1.06;;-5.95;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM455091;MM455091;CC=NN=CC=CCCN;IHFKSTCVAQGJFK-UHFFFAOYSA-N;139.2;0.97;;;;;DOPC;MDCG;27;1;"MARTINI bead: C5_Nd";;;;;;;1.64;;-2.66;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM455092;MM455092;CCC(CO)NCC1CN1;MLFFLWBQPCPHOW-UHFFFAOYSA-N;144.22;-0.68;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1_SP1";;;;;;;-0.79;;-4.96;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM455093;MM455093;CC=NNC=CC=NCC;PXOGYCILLIPMHJ-UHFFFAOYSA-N;139.2;1.19;;;;;DOPC;MDCG;27;1;"MARTINI bead: C5_Nd";;;;;;;1.64;;-3.58;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM455094;MM455094;NCC(CN)NCC1CN1;UDXXMMUEMWFLPO-UHFFFAOYSA-N;144.22;-2.17;;;;;DOPC;MDCG;27;1;"MARTINI bead: P4_SP1";;;;;;;-2.01;;-7.05;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM455095;MM455095;CC=NN=CC=COCC;MHCARPXKHNVDOU-UHFFFAOYSA-N;140.19;1.61;;;;;DOPC;MDCG;27;0;"MARTINI bead: C3_P1";;;;;;;1.74;;0.29;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM455096;MM455096;NCC(CO)NCC1CN1;BGFMXDVHZCPEAA-UHFFFAOYSA-N;145.21;-2.13;;;;;DOPC;MDCG;27;1;"MARTINI bead: P4_SP1";;;;;;;-2.01;;-6.79;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM455097;MM455097;CC=CC=CC=NNCC;RCADYMFLAHILMS-UHFFFAOYSA-N;138.21;1.71;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_C1";;;;;;;2.08;;0.48;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM455098;MM455098;NCC(CN)OCC1CN1;ZIFBHQUJAVJHSI-UHFFFAOYSA-N;145.21;-1.74;;;;;DOPC;MDCG;27;1;"MARTINI bead: P4_SP1";;;;;;;-2.01;;-7.12;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM455099;MM455099;C#CC(C)C(C)(O)C(C)C;ODZWZQJPYCAVGH-UHFFFAOYSA-N;140.23;1.66;;;;;DOPC;MDCG;27;0;"MARTINI bead: C3_Nda";;;;;;;2.57;;0.44;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM455100;MM455100;CCN(CC)CCC1CN1;JQOMIWMAIIZKSO-UHFFFAOYSA-N;142.25;0.69;;;;;DOPC;MDCG;27;1;"MARTINI bead: C5_SP1";;;;;;;0.81;;-2.99;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM455101;MM455101;CC=NN=CC=NOCC;UVTIDTCLCNJTOR-UHFFFAOYSA-N;141.17;1.09;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_C3";;;;;;;1.74;;0.29;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM455102;MM455102;CCC(CN)CCC1CO1;CIAJJCYYUFAUQN-UHFFFAOYSA-N;143.23;1.15;;;;;DOPC;MDCG;27;1;"MARTINI bead: C5_SNa";;;;;;;1.64;;-2.74;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM455103;MM455103;CC=CC=NN=CCOC;UJWPUUBDSVNMFA-UHFFFAOYSA-N;140.19;1.27;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_C5";;;;;;;1.64;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM455104;MM455104;CON=C(NN)C(C)=CF;BJJHPYCKZKEWCN-UHFFFAOYSA-N;147.15;0.28;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda_Na";;;;;;;0.87;;-1.99;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM455105;MM455105;CC=CC=NN=COCC;BDHJGROBAPSBBF-UHFFFAOYSA-N;140.19;1.61;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_C2";;;;;;;2.83;;0.35;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM455106;MM455106;CCC(CF)CCC1CO1;XUULVHBWZYSCPG-UHFFFAOYSA-N;146.21;2.16;;;;;DOPC;MDCG;27;0;"MARTINI bead: C2_SNa";;;;;;;2.83;;0.35;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM455107;MM455107;CCOC=NN=CC=CN;HPCZWZXAVBQUEG-UHFFFAOYSA-N;141.17;0.51;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_Nd";;;;;;;0.87;;-1.88;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM455108;MM455108;NCC(CN)CCC1CO1;AYWIFJPNXMTKOQ-UHFFFAOYSA-N;144.22;-0.3;;;;;DOPC;MDCG;27;1;"MARTINI bead: P2_SNa";;;;;;;-0.24;;-5.99;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM455109;MM455109;CCOC=NN=CC=CF;OHCUISNEUQFZIZ-UHFFFAOYSA-N;144.15;1.52;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_C4";;;;;;;2.2;;0.34;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM455110;MM455110;OCC(CO)CCC1CO1;WMPSFCWOQCPOHV-UHFFFAOYSA-N;146.19;-0.23;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_SNa";;;;;;;-0.24;;-3.24;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM455111;MM455111;C=NNCC(C)CC(C)=O;JRPLHFQFHMQXPF-UHFFFAOYSA-N;142.2;0.81;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_P1";;;;;;;0.81;;-0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM455112;MM455112;OCC(CF)CCC1CO1;LBBNZGACNSWKRE-UHFFFAOYSA-N;148.18;0.74;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda_SNa";;;;;;;0.87;;-1.99;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM455113;MM455113;CCOC=NN=CC=NO;BIZBEOCHCHAEFA-UHFFFAOYSA-N;143.15;0.5;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_P1";;;;;;;0.81;;-0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM455114;MM455114;FCC(CF)CCC1CO1;UYIKOQYGVLQSQQ-UHFFFAOYSA-N;150.17;1.72;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_SNa";;;;;;;1.64;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM455115;MM455115;O=CCC=CC=CC=CF;SACAKKPMXCZGCP-UHFFFAOYSA-N;140.16;2.17;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4_C5";;;;;;;2.97;;0.45;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM455116;MM455116;CNC(CN)CCC1CO1;NNCUVVKZIZWNIU-UHFFFAOYSA-N;144.22;-0.29;;;;;DOPC;MDCG;27;1;"MARTINI bead: P2_SNa";;;;;;;-0.24;;-6.04;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM455117;MM455117;N=CNC=CC=CC=CF;AFWFBRYCHFPIIT-UHFFFAOYSA-N;140.16;1.74;;;;;DOPC;MDCG;27;1;"MARTINI bead: C4_P1";;;;;;;1.37;;-3.81;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM455118;MM455118;CNC(CF)CCC1CO1;BBFPITSGSSMZPD-UHFFFAOYSA-N;147.19;0.72;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nda_SNa";;;;;;;0.87;;-3.65;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM455119;MM455119;C=COC=CC=CC=CF;HNLFUFVVJANCFC-UHFFFAOYSA-N;140.16;2.7;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4_C3";;;;;;;3.9;;0.47;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM455120;MM455120;COC(CO)CCC1CO1;MUANULGBNISQHR-UHFFFAOYSA-N;146.19;0.17;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_SNa";;;;;;;0.04;;-2.54;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM455121;MM455121;CC=CC=CC=COC=O;KKNQJTGBGVZXMP-UHFFFAOYSA-N;138.17;1.81;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1_P1";;;;;;;2.08;;0.48;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM455122;MM455122;COC(CF)CCC1CO1;UMJDPFXCFDCTMR-UHFFFAOYSA-N;148.18;1.15;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_SNa";;;;;;;0.87;;-2.22;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM455123;MM455123;C=CCC=CC=NN=CC;XXWLWCTXFFXCPL-UHFFFAOYSA-N;136.2;2.2;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_C2";;;;;;;3.6;;0.34;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM455124;MM455124;CCC(CC)NCC1CO1;OMEOWYVIVRPYFA-UHFFFAOYSA-N;143.23;1.16;;;;;DOPC;MDCG;27;1;"MARTINI bead: C5_SNa";;;;;;;1.64;;-2.6;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM455125;MM455125;CONC(=N)ON=C(C)C;PSADBRRFIYWNEQ-UHFFFAOYSA-N;145.16;0.48;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_N0";;;;;;;0.06;;-2.21;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM455126;MM455126;CCC(CN)NCC1CO1;BNECUEUTFGTMSD-UHFFFAOYSA-N;144.22;-0.29;;;;;DOPC;MDCG;27;1;"MARTINI bead: P2_SNa";;;;;;;-0.24;;-5.56;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM455127;MM455127;CC=NN=CC=CCC#N;BAMYKZLEUCIDRM-UHFFFAOYSA-N;135.17;1.53;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_N0";;;;;;;1.94;;0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM455128;MM455128;CCC(CO)NCC1CO1;YKLWQTMBNJCWTN-UHFFFAOYSA-N;145.2;-0.25;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1_SNa";;;;;;;0.04;;-4.47;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM455129;MM455129;CC=NN=CC=CNC=N;GZYUNVOCIZQKDU-UHFFFAOYSA-N;138.17;0.77;;;;;DOPC;MDCG;27;1;"MARTINI bead: C5_P2";;;;;;;0.54;;-4.63;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM455130;MM455130;NCC(CN)NCC1CO1;ACHCLJVLRQVDFP-UHFFFAOYSA-N;145.21;-1.74;;;;;DOPC;MDCG;27;1;"MARTINI bead: P4_SNa";;;;;;;-1.19;;-6.76;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM455131;MM455131;CC=NN=CC=CNC=O;DTMSMNJNQAUWOD-UHFFFAOYSA-N;139.16;0.32;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_P2";;;;;;;0.54;;-1.09;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM455132;MM455132;NCC(CO)NCC1CO1;GCRAZHSOHKNCRA-UHFFFAOYSA-N;146.19;-1.71;;;;;DOPC;MDCG;27;1;"MARTINI bead: P4_SNa";;;;;;;-1.19;;-6.51;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM455133;MM455133;CC(F)C=NOC(=O)C=O;MITRHJAHPVCNSS-UHFFFAOYSA-N;147.11;0.07;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_P2";;;;;;;0.54;;-1.09;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM455134;MM455134;NCC(CF)NCC1CO1;KXFSOIOBILLGGK-UHFFFAOYSA-N;148.18;-0.73;;;;;DOPC;MDCG;27;1;"MARTINI bead: P4_SNa";;;;;;;-1.19;;-6.62;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM455135;MM455135;C=COC=CC=NN=CC;AVJMJKDJEQHYGQ-UHFFFAOYSA-N;138.17;1.74;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_C5";;;;;;;2.41;;0.64;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM455136;MM455136;CCC(CC)OCC1CO1;UCGPJHUSFDGTGW-UHFFFAOYSA-N;144.21;1.59;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_SNa";;;;;;;1.64;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM455137;MM455137;NN=CC=CC=NOC=O;KNDULLYTUYWENI-UHFFFAOYSA-N;141.13;-0.35;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_P2";;;;;;;0.54;;-1.09;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM455138;MM455138;CCC(CO)OCC1CO1;PGHFDGSQPWFHLC-UHFFFAOYSA-N;146.19;0.17;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_SNa";;;;;;;0.04;;-2.54;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM455139;MM455139;CC=NN=CC=NOC=O;DMCMGNQONLZJTF-UHFFFAOYSA-N;141.13;0.22;;;;;DOPC;MDCG;27;0;"MARTINI bead: C3_P2";;;;;;;1.46;;-0.15;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM455140;MM455140;NCC(CN)OCC1CO1;XLFIHQOLLBDDDP-UHFFFAOYSA-N;146.19;-1.31;;;;;DOPC;MDCG;27;1;"MARTINI bead: P4_SNa";;;;;;;-1.19;;-6.72;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM455141;MM455141;C=CCC=NN=CC=CC;KZRXKYBFGCYIEP-UHFFFAOYSA-N;136.2;2.2;;;;;DOPC;MDCG;27;0;"MARTINI bead: C2_N0";;;;;;;3.13;;0.3;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM455142;MM455142;CCN(CC)CCC1CO1;PGBGKYQQKQBJMN-UHFFFAOYSA-N;143.23;1.12;;;;;DOPC;MDCG;27;1;"MARTINI bead: C5_SNa";;;;;;;1.64;;-2.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM455143;MM455143;C=CCC=NN=CC=CF;NBWWCPSLPBZQJU-UHFFFAOYSA-N;140.16;2.1;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4_N0";;;;;;;2.5;;0.44;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM455144;MM455144;CCC(CN)CCN1CC1;LAAUOMWYDZVDNW-UHFFFAOYSA-N;142.25;0.68;;;;;DOPC;MDCG;27;1;"MARTINI bead: C5_SP1";;;;;;;0.81;;-3.29;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM455145;MM455145;CC=CC=NN=CCC=O;YJLUPCMNLAOCBO-UHFFFAOYSA-N;138.17;1.21;;;;;DOPC;MDCG;27;0;"MARTINI bead: C3_Na";;;;;;;2.57;;0.45;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM455146;MM455146;NCC(CN)CCN1CC1;NFSKBQVCSZMYNR-UHFFFAOYSA-N;143.23;-0.77;;;;;DOPC;MDCG;27;1;"MARTINI bead: P2_SP1";;;;;;;-1.06;;-6.57;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM455147;MM455147;C#CC(=O)ON=CC(C)F;SWTJXIDSLMFWMA-UHFFFAOYSA-N;143.12;0.51;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_Na";;;;;;;1.64;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM455148;MM455148;CCC(CCN1CC1)NC;JIVFAFWYXPAIAK-UHFFFAOYSA-N;142.25;0.69;;;;;DOPC;MDCG;27;1;"MARTINI bead: C5_SP1";;;;;;;0.81;;-3.45;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM455149;MM455149;C=CC=NOC(=N)NOC;SXWYTNYWWUZSSJ-UHFFFAOYSA-N;143.15;0.26;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_N0";;;;;;;0.06;;-2.21;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM455150;MM455150;CNC(CN)CCN1CC1;GWBYLLDVAVDMJB-UHFFFAOYSA-N;143.23;-0.76;;;;;DOPC;MDCG;27;1;"MARTINI bead: P2_SP1";;;;;;;-1.06;;-6.11;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM455151;MM455151;C#CC(=NC)NC=C(F)F;STDFMMUDNLOFMO-UHFFFAOYSA-N;144.12;0.98;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_C4";;;;;;;1.37;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM455152;MM455152;CNC(CO)CCN1CC1;MEOCWBBCUHVRHI-UHFFFAOYSA-N;144.22;-0.73;;;;;DOPC;MDCG;27;1;"MARTINI bead: P2_SP1";;;;;;;-1.06;;-6.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM455153;MM455153;N#CCC=NN=CC=NO;TVNRXHHSSAANQM-UHFFFAOYSA-N;138.13;0.42;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_C5";;;;;;;0.81;;-0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM455154;MM455154;COC(CN)CCN1CC1;NLRMQXWQZWDRSC-UHFFFAOYSA-N;144.22;-0.33;;;;;DOPC;MDCG;27;1;"MARTINI bead: P2_SP1";;;;;;;-1.06;;-5.89;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM455155;MM455155;C=COC=NN=CC=CN;VIAYUTIJSVOOOU-UHFFFAOYSA-N;139.16;0.63;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nd_Na";;;;;;;0.87;;-1.88;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM455156;MM455156;C=NNCc1noc(=O)o1;YHHMKKPVRRKHPH-UHFFFAOYSA-N;143.1;-0.67;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_SP2";;;;;;;-1.34;;-4.31;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM455157;MM455157;C=NNCC=C(C#N)CC;PZUBSWVJWXUXRU-UHFFFAOYSA-N;137.19;1.05;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_P2";;;;;;;0.54;;-1.09;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM455158;MM455158;COC(CF)CCN1CC1;QHZCZCXOWHWGNG-UHFFFAOYSA-N;147.19;0.68;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_SP1";;;;;;;0.04;;-2.54;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM455159;MM455159;C=COC=NN=CC=NO;CDDBPMICPDACDE-UHFFFAOYSA-N;141.13;0.62;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_C5";;;;;;;0.81;;-0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM455160;MM455160;C=CC(CC)CCC1CC1;FLNPXKMVZVCQJU-UHFFFAOYSA-N;138.25;3.39;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1_SC5";;;;;;;3.68;;0.46;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM455161;MM455161;C#CCC=CC=CC=CF;BBZGUSVLUCYCKT-UHFFFAOYSA-N;136.17;2.61;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4_C3";;;;;;;3.9;;0.47;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM455162;MM455162;CCC(C=O)CCC1CC1;APTZUXGGQVNMJV-UHFFFAOYSA-N;140.23;2.4;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_SC5";;;;;;;2.41;;0.64;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM455163;MM455163;C#CCC=CC=CC=NN;RQXLGELCEHBUNQ-UHFFFAOYSA-N;134.18;1.07;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_C5";;;;;;;2.41;;0.64;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM455164;MM455164;CCC(C#N)CCC1CC1;MMQNNWUEGHZVJB-UHFFFAOYSA-N;137.23;2.73;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_SC5";;;;;;;2.41;;0.64;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM455165;MM455165;C#CCC=CC=NN=CC;CYKWZJYPQRGLPO-UHFFFAOYSA-N;134.18;1.64;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_C5";;;;;;;2.41;;0.64;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM455166;MM455166;C=CC(CN)CCC1CC1;WERKCYOYQCKHJH-UHFFFAOYSA-N;139.24;1.94;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_SC5";;;;;;;1.64;;-2.67;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM455167;MM455167;C#CCC=NN=CC=NO;SZQNUUZTWGWWAN-UHFFFAOYSA-N;137.14;0.53;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_C5";;;;;;;0.81;;-0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM455168;MM455168;CON=C(C)C(C=O)OC;VTKDWKFPYIHXHQ-UHFFFAOYSA-N;145.16;0.22;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_Na";;;;;;;-0.24;;-3.24;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM455169;MM455169;CC#CC=CC=CCCC;WHHHJWXYEXEKIY-UHFFFAOYSA-N;134.22;2.92;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1_C1";;;;;;;4.95;;0.69;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM455170;MM455170;O=CC(CO)CCC1CC1;RAXKJRPZUHTONK-UHFFFAOYSA-N;142.2;0.98;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_SC5";;;;;;;0.54;;-1.09;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM455171;MM455171;CC#CC=CC=CCCN;GYWWAJFZMCUTOL-UHFFFAOYSA-N;135.21;1.47;;;;;DOPC;MDCG;27;1;"MARTINI bead: C1_Nd";;;;;;;2.91;;-0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM455172;MM455172;N#CC(CO)CCC1CC1;YFRNDQTXXGCAQZ-UHFFFAOYSA-N;139.2;1.31;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_SC5";;;;;;;0.54;;-1.09;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM455173;MM455173;CC#CC=CC=CCNC;YLFOXDWNCHULHZ-UHFFFAOYSA-N;135.21;1.34;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_C1";;;;;;;2.91;;-0.18;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM455174;MM455174;C=CC(CCC1CC1)NC;FSPMMJZHLGQIEP-UHFFFAOYSA-N;139.24;1.95;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_SC5";;;;;;;1.64;;-2.43;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM455175;MM455175;CC#CC=CC=NNCC;SHSOZPPNHAZLMY-UHFFFAOYSA-N;136.2;1.16;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_C1";;;;;;;2.08;;0.48;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM455176;MM455176;CC#CC=NN=CCOC;LMEVCZIKDCRNFC-UHFFFAOYSA-N;138.17;0.71;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_N0";;;;;;;1.17;;-1.18;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM455177;MM455177;CNC(C=O)CCC1CC1;JGJHSPSJDMUFQC-UHFFFAOYSA-N;141.21;0.96;;;;;DOPC;MDCG;27;1;"MARTINI bead: P2_SC5";;;;;;;0.54;;-2.35;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM455178;MM455178;CC#CC=NN=COCC;SYGTWWCNNRHALY-UHFFFAOYSA-N;138.17;1.06;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_C4";;;;;;;2.2;;0.34;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM455179;MM455179;C=CC(CCC1CC1)OC;KTUSZWJKGOPTRO-UHFFFAOYSA-N;140.23;2.38;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_SC5";;;;;;;2.41;;0.64;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM455180;MM455180;C=CCC=CC=CC#CC;GNPIKHRAZUCIIT-UHFFFAOYSA-N;132.21;2.7;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1_C3";;;;;;;4.61;;0.31;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM455181;MM455181;COC(C=O)CCC1CC1;ICYGSNWSMRSNGE-UHFFFAOYSA-N;142.2;1.39;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_SC5";;;;;;;1.64;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM455182;MM455182;CC#CC=CC=CCC#N;UCBRFPZLCYHXRU-UHFFFAOYSA-N;131.18;2.04;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4_N0";;;;;;;2.5;;0.44;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM455183;MM455183;C=CC(CC)NCC1CC1;GZLDNPMMFGYNTJ-UHFFFAOYSA-N;139.24;1.95;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_SC5";;;;;;;1.64;;-2.68;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM455184;MM455184;CC#CC=CC=CNC=N;VMZKJMBHSXOSSY-UHFFFAOYSA-N;134.18;1.28;;;;;DOPC;MDCG;27;1;"MARTINI bead: C4_P2";;;;;;;1.09;;-4.16;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM455185;MM455185;C=CC(CO)NCC1CC1;OJNKAAYSGFQIJG-UHFFFAOYSA-N;141.21;0.53;;;;;DOPC;MDCG;27;1;"MARTINI bead: P3_SC5";;;;;;;-0.33;;-4.02;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM455186;MM455186;C=CC(CF)NCC1CC1;CVXNSHMZLQQXRM-UHFFFAOYSA-N;143.21;1.51;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1_SC5";;;;;;;0.81;;-1.58;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM455187;MM455187;CC#CC=CC=NNC=O;NATDTQFAEVHQKT-UHFFFAOYSA-N;136.15;0.3;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4_P1";;;;;;;1.37;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM455188;MM455188;C=CCC=NN=CC#CC;KOLNMPGESYWIQS-UHFFFAOYSA-N;134.18;1.64;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4_N0";;;;;;;2.5;;0.44;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM455189;MM455189;C=CC(CC)OCC1CC1;DITMXXBDQRHPPG-UHFFFAOYSA-N;140.23;2.38;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_SC5";;;;;;;2.41;;0.64;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM455190;MM455190;CC#CC=NN=CCC#N;ZDNOXGAQPJIWQT-UHFFFAOYSA-N;133.15;0.98;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4_P1";;;;;;;1.37;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM455191;MM455191;C=CC(CN)OCC1CC1;FXEMTXLLTQIBOF-UHFFFAOYSA-N;141.21;0.93;;;;;DOPC;MDCG;27;1;"MARTINI bead: P3_SC5";;;;;;;-0.33;;-4.01;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM455192;MM455192;C=COC=NN=CC#CC;BREPVOIMXCGZTB-UHFFFAOYSA-N;136.15;1.18;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4_Na";;;;;;;2.2;;0.34;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM455193;MM455193;C=CC(CC)CNC1CC1;FMOBVLMSAZPPOV-UHFFFAOYSA-N;139.24;1.95;;;;;DOPC;MDCG;27;1;"MARTINI bead: C1_SP1";;;;;;;2.08;;-1.3;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM455194;MM455194;C=NOC=NN=CC#CC;HLXZNBQJNKFWQA-UHFFFAOYSA-N;137.14;0.66;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4_P1";;;;;;;1.37;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM455195;MM455195;C=CC(CN)CNC1CC1;MTIHJPDAVQMLBD-UHFFFAOYSA-N;140.23;0.5;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_SP1";;;;;;;0.04;;-5.44;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM455196;MM455196;C#CCC=CC=CC#CC;PYCJGWWHTRZNHW-UHFFFAOYSA-N;130.19;2.15;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4_C3";;;;;;;3.9;;0.47;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM455197;MM455197;C=CC(CO)CNC1CC1;UIJRGWFQYRRHLL-UHFFFAOYSA-N;141.21;0.53;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nda_SP1";;;;;;;0.04;;-5.13;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM455198;MM455198;C#CCC=NN=CC#CC;OCZQVGLJXWUASG-UHFFFAOYSA-N;132.17;1.09;;;;;DOPC;MDCG;27;0;"MARTINI bead: N0_C5";;;;;;;1.94;;0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM455199;MM455199;C=CC(CF)CNC1CC1;BSXKNQVIROKLJP-UHFFFAOYSA-N;143.21;1.51;;;;;DOPC;MDCG;27;1;"MARTINI bead: C4_SP1";;;;;;;1.37;;-2.49;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM455200;MM455200;CC=CC=CC=CC=CC;ASZYCCVVQCKBIH-UHFFFAOYSA-N;134.22;3.25;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1_C2";;;;;;;4.87;;0.53;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM455201;MM455201;C=CC(CNC1CC1)NC;NBKQWUAXZUVFCO-UHFFFAOYSA-N;140.23;0.51;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_SP1";;;;;;;0.04;;-4.72;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM455202;MM455202;NN=CC=CC=CC=CF;JMVRRFGVGNWXRH-UHFFFAOYSA-N;140.16;1.53;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nd_C1";;;;;;;2.91;;0.63;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM455203;MM455203;CNC(C=O)CNC1CC1;XOEMGSRBGKMYDG-UHFFFAOYSA-N;142.2;-0.47;;;;;DOPC;MDCG;27;1;"MARTINI bead: P2_SP1";;;;;;;-1.06;;-5.17;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM455204;MM455204;CC=CC=CC=NN=CC;NRRCWNFWEXDECM-UHFFFAOYSA-N;136.2;2.2;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1_P1";;;;;;;2.08;;0.48;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM455205;MM455205;COC(C=O)CNC1CC1;FJIXIFWRQOJAFR-UHFFFAOYSA-N;143.19;-0.05;;;;;DOPC;MDCG;27;1;"MARTINI bead: Na_SP1";;;;;;;0.04;;-4;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM455206;MM455206;CC=NN=CC=CC=CF;SRPSLHLIKFNSDX-UHFFFAOYSA-N;140.16;2.1;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_C4";;;;;;;2.97;;0.45;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM455207;MM455207;CCC(C#N)COC1CC1;JWWBJYVERAHJBV-UHFFFAOYSA-N;139.2;1.72;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_SP1";;;;;;;0.81;;-0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM455208;MM455208;CC=NN=CC=CC=NN;GVOLUNDIZDGDBS-UHFFFAOYSA-N;138.17;0.56;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_Nd";;;;;;;1.64;;0.02;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM455209;MM455209;C=CC(COC1CC1)NC;OWIRQWKIFZNUFE-UHFFFAOYSA-N;141.21;0.94;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_SP1";;;;;;;0.04;;-4.32;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM455210;MM455210;CC=NN=CC=CC=NO;ITIYAQVGGWWTJV-UHFFFAOYSA-N;139.16;1.08;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_Nda";;;;;;;1.64;;0.05;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM455211;MM455211;CNC(C#N)COC1CC1;ZTDJIMNMSRSFOU-UHFFFAOYSA-N;140.19;0.28;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_SP1";;;;;;;-0.79;;-3.13;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM455212;MM455212;CC=NN=CC=NN=CC;YZJRWBRZFJEBPJ-UHFFFAOYSA-N;138.17;1.14;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_C3";;;;;;;1.74;;0.29;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM455213;MM455213;COC(C=O)COC1CC1;AWRHVHUNNSZQAQ-UHFFFAOYSA-N;144.17;0.38;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_SP1";;;;;;;0.04;;-2.54;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM455214;MM455214;CC=CC=NN=CC=CC;NFUBPGVOAJMQBO-UHFFFAOYSA-N;136.2;2.2;;;;;DOPC;MDCG;27;0;"MARTINI bead: C2_C5";;;;;;;3.6;;0.34;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM455215;MM455215;CCN(C=N)CCC1CC1;QXYWAYUISLBCLE-UHFFFAOYSA-N;140.23;1.72;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_SC5";;;;;;;1.64;;-4.25;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM455216;MM455216;CC=CC=NN=CC=CF;YASBEHXMRUZVEE-UHFFFAOYSA-N;140.16;2.1;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_C4";;;;;;;2.97;;0.45;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM455217;MM455217;CCN(C=O)CCC1CC1;JNEBPDCZBFOZCL-UHFFFAOYSA-N;141.21;1.26;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_SC5";;;;;;;0.81;;-0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM455218;MM455218;N#CC(N)=CC(=O)N1CC1;ZGSBBZDBQDSLFR-UHFFFAOYSA-N;137.14;-0.81;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_SP2";;;;;;;-1.06;;-3.82;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM455219;MM455219;C=NN(CC)CCC1CC1;VBNACGDEAYFSKQ-UHFFFAOYSA-N;140.23;1.72;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_SC5";;;;;;;0.81;;-0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM455220;MM455220;CC#CC=CC=CC=CC;CKHTZQDOZJIQFI-UHFFFAOYSA-N;132.21;2.7;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1_C4";;;;;;;4.24;;0.42;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM455221;MM455221;CNN(C=N)CCC1CC1;AUDQVEQSYPCCIV-UHFFFAOYSA-N;141.22;0.83;;;;;DOPC;MDCG;27;1;"MARTINI bead: P4_SC5";;;;;;;-0.41;;-5.23;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM455222;MM455222;CC#CC=CC=CC=CF;HDRVWEHPJZOKFU-UHFFFAOYSA-N;136.17;2.61;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4_C4";;;;;;;3.53;;0.53;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM455223;MM455223;CNN(C=O)CCC1CC1;YIWMGDPWQAYHAU-UHFFFAOYSA-N;142.2;0.38;;;;;DOPC;MDCG;27;0;"MARTINI bead: P3_SC5";;;;;;;-0.33;;-2.01;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM455224;MM455224;CC#CC=CC=CC=NN;SDBROBYDRGZUTM-UHFFFAOYSA-N;134.18;1.07;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4_Nd";;;;;;;2.2;;0.32;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM455225;MM455225;CON(C=N)CCC1CC1;LLSYEQHSXDHBMR-UHFFFAOYSA-N;142.2;1.26;;;;;DOPC;MDCG;27;1;"MARTINI bead: P2_SC5";;;;;;;0.54;;-2.19;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM455226;MM455226;CC#CC=CC=CC=NO;TUTVUVXTMGWGHU-UHFFFAOYSA-N;135.17;1.58;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4_Nda";;;;;;;2.2;;0.49;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM455227;MM455227;CON(C=O)CCC1CC1;GSLHXPHQPXOVGB-UHFFFAOYSA-N;143.19;0.81;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_SC5";;;;;;;0.54;;-1.09;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM455228;MM455228;CC#CC=CC=NN=CC;DEARRXPNDJPKAO-UHFFFAOYSA-N;134.18;1.64;;;;;DOPC;MDCG;27;0;"MARTINI bead: C3_C4";;;;;;;3.9;;0.47;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM455229;MM455229;CCN(C=N)NCC1CC1;OENFAOAASMBBBH-UHFFFAOYSA-N;141.22;0.83;;;;;DOPC;MDCG;27;1;"MARTINI bead: P2_SC5";;;;;;;0.54;;-3.7;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM455230;MM455230;CC#CC=NN=CC=CC;MXLVSBOAUAZQNM-UHFFFAOYSA-N;134.18;1.64;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_C4";;;;;;;2.97;;0.45;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM455231;MM455231;CCN(C=O)NCC1CC1;NAMNYSXWDDLEBJ-UHFFFAOYSA-N;142.2;0.38;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_SC5";;;;;;;0.54;;-1.09;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM455232;MM455232;CC#CC=NN=CC=CN;UPCOVYXAKOTYLG-UHFFFAOYSA-N;135.17;0.54;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4_P2";;;;;;;1.09;;-0.38;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM455233;MM455233;CCN(C=O)OCC1CC1;RHUJNCVICBLPJY-UHFFFAOYSA-N;143.19;0.81;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_SC5";;;;;;;0.54;;-1.09;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM455234;MM455234;CC#CC=NN=CC=CF;ZPZVYUWUIFLKPG-UHFFFAOYSA-N;138.15;1.55;;;;;DOPC;MDCG;27;0;"MARTINI bead: N0_C4";;;;;;;2.5;;0.44;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM455235;MM455235;C=CC(CN)CCC1CN1;HWYCPLMXRZEZRZ-UHFFFAOYSA-N;140.23;0.5;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_SP1";;;;;;;0.04;;-5.41;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM455236;MM455236;CC1CC2(O)C(C)C1C2C;RDIDUPGPUCMVOE-UHFFFAOYSA-N;140.23;1.66;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC3_SC5";;;;;;;3.34;;0.48;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM455237;MM455237;C=CC(CCC1CN1)NC;AEPMFIHGUJIRGY-UHFFFAOYSA-N;140.23;0.51;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_SP1";;;;;;;0.04;;-5.16;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM455238;MM455238;CC#CC=NN=CC=NO;HXSMJHJBBTUFSY-UHFFFAOYSA-N;137.14;0.53;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4_P1";;;;;;;1.37;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM455239;MM455239;CNC(C=O)CCC1CN1;LDEOXZJUKHBKNA-UHFFFAOYSA-N;142.2;-0.47;;;;;DOPC;MDCG;27;1;"MARTINI bead: P2_SP1";;;;;;;-1.06;;-5.15;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM455240;MM455240;CC#CC=CC=CC#CC;VRYYCSKDXJUNKK-UHFFFAOYSA-N;130.19;2.15;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4_C4";;;;;;;3.53;;0.53;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM455241;MM455241;C=CC(CC)NCC1CN1;OZYCHLBCPICQSN-UHFFFAOYSA-N;140.23;0.51;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_SP1";;;;;;;0.04;;-4.38;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM455242;MM455242;CC#CC=NN=CC#CC;BCMFBKRDWOFRQJ-UHFFFAOYSA-N;132.17;1.09;;;;;DOPC;MDCG;27;0;"MARTINI bead: N0_C4";;;;;;;2.5;;0.44;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM455243;MM455243;C=CC(CN)NCC1CN1;PWNBNDUKCRHRNE-UHFFFAOYSA-N;141.22;-0.94;;;;;DOPC;MDCG;27;1;"MARTINI bead: P3_SP1";;;;;;;-1.93;;-6.67;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM455244;MM455244;CCN(C=N)CCC1CN1;CANZXDHNNAGFKQ-UHFFFAOYSA-N;141.22;0.28;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_SP1";;;;;;;0.04;;-6.91;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM455245;MM455245;CCCC#CC=CCCC;HAMAIVSPUXRZEN-UHFFFAOYSA-N;136.24;3.15;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1_C3";;;;;;;4.61;;0.31;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM455246;MM455246;CNN(C=N)CCC1CN1;QFNCLQGPXOJWGC-UHFFFAOYSA-N;142.21;-0.61;;;;;DOPC;MDCG;27;1;"MARTINI bead: P4_SP1";;;;;;;-2.01;;-7.57;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM455247;MM455247;CCCC=CC#CCCN;MTWABUPPMPTEIB-UHFFFAOYSA-N;137.23;1.69;;;;;DOPC;MDCG;27;1;"MARTINI bead: C1_Nd";;;;;;;2.91;;-0.21;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM455248;MM455248;CON(C=N)CCC1CN1;CFRAUKFXRFDUQR-UHFFFAOYSA-N;143.19;-0.18;;;;;DOPC;MDCG;27;1;"MARTINI bead: P2_SP1";;;;;;;-1.06;;-4.96;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM455249;MM455249;CCCC=CC#CCCO;ADTQJWDMBWFICF-UHFFFAOYSA-N;138.21;1.73;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1_Nda";;;;;;;2.91;;0.57;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM455250;MM455250;CCN(C=N)NCC1CN1;HOZRVKRVFFNKBH-UHFFFAOYSA-N;142.21;-0.61;;;;;DOPC;MDCG;27;1;"MARTINI bead: P2_SP1";;;;;;;-1.06;;-6.43;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM455251;MM455251;CCCC=CC#CCCF;BLROCRIRUPPULC-UHFFFAOYSA-N;140.2;2.71;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1_Na";;;;;;;2.91;;0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM455252;MM455252;CCN(C=N)OCC1CN1;RKWLWWXVUNGPDP-UHFFFAOYSA-N;143.19;-0.18;;;;;DOPC;MDCG;27;1;"MARTINI bead: P2_SP1";;;;;;;-1.06;;-4.97;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM455253;MM455253;CCCC#CC=CCCN;GEWOGWMTQRKXSA-UHFFFAOYSA-N;137.23;1.69;;;;;DOPC;MDCG;27;1;"MARTINI bead: C3_Nd";;;;;;;2.57;;-1.48;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM455254;MM455254;C=CC(CC)CCC1CO1;YMHIRRALJPKVCO-UHFFFAOYSA-N;140.23;2.38;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1_SNa";;;;;;;2.91;;0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM455255;MM455255;NCCC#CC=CCCN;HOEHRZCKKHOSHL-UHFFFAOYSA-N;138.21;0.24;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_Nd";;;;;;;0.87;;-5.04;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM455256;MM455256;C=CC(CN)CCC1CO1;HJNJQSACKQIVMV-UHFFFAOYSA-N;141.21;0.93;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_SNa";;;;;;;0.87;;-4.65;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM455257;MM455257;NCCC=CC#CCCO;AFRJNNWUYHAKIU-UHFFFAOYSA-N;139.2;0.28;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_Nda";;;;;;;0.87;;-4.68;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM455258;MM455258;CCCC#CC=CCCO;IZDOILKNEIGJFO-UHFFFAOYSA-N;138.21;1.73;;;;;DOPC;MDCG;27;0;"MARTINI bead: C3_Nda";;;;;;;2.57;;0.44;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM455259;MM455259;N#CCC1CC(CF)=NN1;ZEYJEMDZIVNXLS-UHFFFAOYSA-N;141.15;0.59;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP1_SNd";;;;;;;0.04;;-2.63;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM455260;MM455260;OCCC=CC#CCCF;DTWHUHGAYUKZLY-UHFFFAOYSA-N;142.17;1.29;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda_Na";;;;;;;0.87;;-1.99;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM455261;MM455261;O=CC(CO)CCC1CO1;HAYPGWSIYZZGCX-UHFFFAOYSA-N;144.17;-0.03;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_SNa";;;;;;;-0.24;;-3.24;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM455262;MM455262;CCCC=CC#CCNC;LYCCKSIFBOEWSW-UHFFFAOYSA-N;137.23;1.57;;;;;DOPC;MDCG;27;1;"MARTINI bead: C1_P2";;;;;;;1.8;;-0.56;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM455263;MM455263;N#CC(CO)CCC1CO1;PIBJNGADAFPMPZ-UHFFFAOYSA-N;141.17;0.3;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_SNa";;;;;;;-0.24;;-3.24;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM455264;MM455264;CCCC#CC=CCNC;KFYOSHVQDYCGGH-UHFFFAOYSA-N;137.23;1.57;;;;;DOPC;MDCG;27;1;"MARTINI bead: C3_Nd";;;;;;;2.57;;-0.97;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM455265;MM455265;N#CC(CF)CCC1CO1;DNUVVIGNZOCOKC-UHFFFAOYSA-N;143.16;1.27;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_SNa";;;;;;;0.87;;-2.22;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM455266;MM455266;CNCC=CC#CCCN;CWFNGHQQKBKFIQ-UHFFFAOYSA-N;138.21;0.11;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_Nd";;;;;;;0.87;;-4.75;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM455267;MM455267;C=CC(CCC1CO1)NC;HJHJRHPOWPAFCH-UHFFFAOYSA-N;141.21;0.94;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_SNa";;;;;;;0.87;;-4.42;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM455268;MM455268;CNC(C=O)CCC1CO1;SKMVVQZDPQXWDN-UHFFFAOYSA-N;143.19;-0.05;;;;;DOPC;MDCG;27;1;"MARTINI bead: P2_SNa";;;;;;;-0.24;;-4.51;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM455269;MM455269;CNCC=CC#CCCF;IEPISPFXBUWJGS-UHFFFAOYSA-N;141.19;1.13;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_Na";;;;;;;0.87;;-4.13;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM455270;MM455270;COC(C=O)CCC1CO1;CGBVLGNETWFZMF-UHFFFAOYSA-N;144.17;0.38;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_SNa";;;;;;;0.87;;-2.22;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM455271;MM455271;CNCC#CC=CCNC;HCORCZVANVLOHM-UHFFFAOYSA-N;138.21;-0.02;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_Nd";;;;;;;0.87;;-4.45;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM455272;MM455272;CCC(C#N)NCC1CO1;YTPJXUADKAHLLJ-UHFFFAOYSA-N;140.19;0.28;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_SNa";;;;;;;0.04;;-2.54;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM455273;MM455273;CNCC=CC#CCOC;CYVHDMQXFHFCSZ-UHFFFAOYSA-N;139.2;0.41;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_Na";;;;;;;0.87;;-4.11;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM455274;MM455274;CCCC#CC=CCOC;YHUFJCZCXALWDH-UHFFFAOYSA-N;138.21;1.99;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1_Na";;;;;;;2.91;;0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM455275;MM455275;C=CC(CN)NCC1CO1;MPNOROYWGPDZIV-UHFFFAOYSA-N;142.2;-0.51;;;;;DOPC;MDCG;27;1;"MARTINI bead: P3_SNa";;;;;;;-1.1;;-6.2;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM455276;MM455276;C#CCC1CN=C(C#N)N1;ZZMJUBHAKARAEW-UHFFFAOYSA-N;133.15;-0.1;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP1_SP1";;;;;;;-0.79;;-3.13;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM455277;MM455277;COCC=CC#CCCN;YYTAUORULMDAKR-UHFFFAOYSA-N;139.2;0.54;;;;;DOPC;MDCG;27;1;"MARTINI bead: Na_Nd";;;;;;;0.87;;-4.29;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM455278;MM455278;COCC=CC#CCCO;IGDWINASJSHFOL-UHFFFAOYSA-N;140.18;0.57;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_Nda";;;;;;;0.87;;-1.99;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM455279;MM455279;COC(C=O)OCC1CO1;VXGCVXASNHULNM-UHFFFAOYSA-N;146.14;-0.43;;;;;DOPC;MDCG;27;0;"MARTINI bead: P3_SNa";;;;;;;-1.1;;-4.2;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM455280;MM455280;CNCC#CC=CCOC;ICESMKQVZFGKIG-UHFFFAOYSA-N;139.2;0.41;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_Na";;;;;;;0.87;;-3.53;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM455281;MM455281;CNN(C=N)CCC1CO1;UBUZWZMTGJLWSN-UHFFFAOYSA-N;143.19;-0.18;;;;;DOPC;MDCG;27;1;"MARTINI bead: P4_SNa";;;;;;;-1.19;;-7.16;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM455282;MM455282;CCOC=CC#CCCN;AACUAMJLFVVIBI-UHFFFAOYSA-N;139.2;0.89;;;;;DOPC;MDCG;27;1;"MARTINI bead: C5_Nd";;;;;;;1.64;;-2.3;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM455283;MM455283;CNN(C=O)CCC1CO1;DPGMAGPNNKYYAO-UHFFFAOYSA-N;144.17;-0.63;;;;;DOPC;MDCG;27;0;"MARTINI bead: P3_SNa";;;;;;;-1.1;;-4.2;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM455284;MM455284;CCOC=CC#CCCO;IZXDZQKNRHLNQC-UHFFFAOYSA-N;140.18;0.92;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_Nda";;;;;;;1.64;;0.05;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM455285;MM455285;CON(C=N)CCC1CO1;JBWJCXVKSUXMCY-UHFFFAOYSA-N;144.17;0.25;;;;;DOPC;MDCG;27;1;"MARTINI bead: P2_SNa";;;;;;;-0.24;;-4.3;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM455286;MM455286;CCOC=CC#CCCF;DRRNHJMCVSSVAP-UHFFFAOYSA-N;142.17;1.9;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_Na";;;;;;;1.64;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM455287;MM455287;CCN(C=O)NCC1CO1;RKWCZBAUMWGGON-UHFFFAOYSA-N;144.17;-0.63;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_SNa";;;;;;;-0.24;;-3.24;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM455288;MM455288;CCOC=CC#CCNC;XDPAHQLAEQUSGN-UHFFFAOYSA-N;139.2;0.76;;;;;DOPC;MDCG;27;1;"MARTINI bead: Na_Nd";;;;;;;0.87;;-3.5;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM455289;MM455289;CCC(C#N)CCN1CC1;JJRXNPDBSUKNLC-UHFFFAOYSA-N;138.21;1.24;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_SP1";;;;;;;0.81;;-0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM455290;MM455290;C=CC(CN)CCN1CC1;KMRQJEYKDDMLES-UHFFFAOYSA-N;140.23;0.45;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_SP1";;;;;;;0.04;;-5.4;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM455291;MM455291;CCOC=CC#CCOC;JINQKLUZNUDVAR-UHFFFAOYSA-N;140.18;1.19;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_Na";;;;;;;1.64;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM455292;MM455292;CCCC#CC=NNCC;MPDUUFBRYYPYKV-UHFFFAOYSA-N;138.21;1.39;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1_P1";;;;;;;2.08;;0.48;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM455293;MM455293;C=CC1=NNC(C#CC)C1;XRDWAWNBHBQTKB-UHFFFAOYSA-N;134.18;0.91;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNd_SP1";;;;;;;0.04;;-2.63;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM455294;MM455294;CCNN=CC#CCCN;HARDOUSZJYLXDP-UHFFFAOYSA-N;139.2;-0.07;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_Nd";;;;;;;0.87;;-4.49;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM455295;MM455295;C#CC=C1CN=C(C#N)N1;KIGHJRGKULBXBE-UHFFFAOYSA-N;131.14;0.03;;;;;DOPC;MDCG;27;0;"MARTINI bead: SN0_SP1";;;;;;;0.34;;-1.53;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM455296;MM455296;N#CC(CF)CCN1CC1;OANZVIAYDZETPM-UHFFFAOYSA-N;142.18;0.8;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_SP1";;;;;;;0.04;;-2.54;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM455297;MM455297;CCNN=CC#CCOC;XUJWTJIDBUJEBQ-UHFFFAOYSA-N;140.19;0.23;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nd_Na";;;;;;;0.87;;-1.88;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM455298;MM455298;C#CC1CC(C=CC)=NN1;HJOPXBPPJUBRQL-UHFFFAOYSA-N;134.18;0.91;;;;;DOPC;MDCG;27;0;"MARTINI bead: SN0_SP1";;;;;;;0.34;;-1.53;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM455299;MM455299;CCCC#CC=NOCC;QYRJJYXJYVFVPE-UHFFFAOYSA-N;139.2;1.81;;;;;DOPC;MDCG;27;0;"MARTINI bead: C3_Na";;;;;;;2.57;;0.45;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM455300;MM455300;COC(C#N)CCN1CC1;RXDAJCAQOCEZNI-UHFFFAOYSA-N;140.19;0.23;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_SP1";;;;;;;0.04;;-2.54;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM455301;MM455301;CCON=CC#CCCN;VRZWWORWNKESBR-UHFFFAOYSA-N;140.19;0.36;;;;;DOPC;MDCG;27;1;"MARTINI bead: Na_Nd";;;;;;;0.87;;-4.25;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM455302;MM455302;CCN(C=O)CCN1CC1;TZDZZDJWZVVSJX-UHFFFAOYSA-N;142.2;-0.22;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_SP1";;;;;;;-0.79;;-3.13;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM455303;MM455303;CC(F)C=NOC=O;PSOKZFFKIMJDCW-UHFFFAOYSA-N;119.1;0.5;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_P2";;;;;;;0.54;;-1.09;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM455304;MM455304;CCON=CC#CCOC;WOKJAKYMKMTVHB-UHFFFAOYSA-N;141.17;0.66;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_Na";;;;;;;0.87;;-2.22;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM455305;MM455305;C=NN(CC)CCN1CC1;GLAQOWNHANQDGW-UHFFFAOYSA-N;141.22;0.24;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_SP1";;;;;;;-0.79;;-3.13;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM455306;MM455306;C=CCC#CC=CCCC;ZQBRFYGIRIALLV-UHFFFAOYSA-N;134.22;2.92;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1_C5";;;;;;;3.68;;0.46;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM455307;MM455307;CNN(C=O)CCN1CC1;XYWVPSWRPHFZQF-UHFFFAOYSA-N;143.19;-1.11;;;;;DOPC;MDCG;27;0;"MARTINI bead: P3_SP1";;;;;;;-1.93;;-4.72;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM455308;MM455308;C#CC(CC)CCC1CC1;NHHMEOXEPZVURF-UHFFFAOYSA-N;136.24;2.84;;;;;DOPC;MDCG;27;0;"MARTINI bead: C2_SC5";;;;;;;3.6;;0.34;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM455309;MM455309;CCCC=CC#CCC=O;HYVAXGZZANNOOZ-UHFFFAOYSA-N;136.19;1.94;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1_Na";;;;;;;2.91;;0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM455310;MM455310;C#CC(CN)CCC1CC1;YTTPIIFGOPVJPW-UHFFFAOYSA-N;137.23;1.38;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_SC5";;;;;;;1.64;;-2.37;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM455311;MM455311;CCCC=CC#CCC#N;CEGGXFDZYCOTGN-UHFFFAOYSA-N;133.19;2.26;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1_N0";;;;;;;3.21;;0.46;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM455312;MM455312;CCc1nnn(C=O)c1N;RRBHIDJBAVKNOM-UHFFFAOYSA-N;140.15;-0.54;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNa_SP2";;;;;;;-0.24;;-3.24;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM455313;MM455313;C=CCC#CC=CCCN;RGPSOZRDSMVXIH-UHFFFAOYSA-N;135.21;1.47;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_C5";;;;;;;1.64;;-2.66;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM455314;MM455314;C#CC(CCC1CC1)NC;WGECGZQIMSIBDV-UHFFFAOYSA-N;137.23;1.4;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1_SC5";;;;;;;0.81;;-2.48;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM455315;MM455315;C=CCC#CC=CCCO;OKMOELDISINBMR-UHFFFAOYSA-N;136.19;1.5;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda_C5";;;;;;;1.64;;0.05;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM455316;MM455316;C#CC(CCC1CC1)OC;RSMCEAYMTAEUHQ-UHFFFAOYSA-N;138.21;1.82;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_SC5";;;;;;;1.64;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM455317;MM455317;O=CCC#CC=CCCO;WEKOVYOTEWBVHJ-UHFFFAOYSA-N;138.17;0.52;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda_Na";;;;;;;0.87;;-1.99;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM455318;MM455318;C#CC(CC)NCC1CC1;NXSOBNDAWBSPGR-UHFFFAOYSA-N;137.23;1.4;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_SC5";;;;;;;1.64;;-2.14;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM455319;MM455319;N#CCC#CC=CCCO;CVBNJWQEFLSEDO-UHFFFAOYSA-N;135.17;0.84;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_N0";;;;;;;0.34;;-1.53;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM455320;MM455320;C#CC(CC)CNC1CC1;XOHZOICVQQTLPJ-UHFFFAOYSA-N;137.23;1.4;;;;;DOPC;MDCG;27;1;"MARTINI bead: C2_SP1";;;;;;;2;;-1.12;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM455321;MM455321;C=CCC#CC=CCCF;MPLZNWNYWHDHTC-UHFFFAOYSA-N;138.19;2.48;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4_C3";;;;;;;3.9;;0.47;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM455322;MM455322;C#CC(CN)CNC1CC1;YASMJJJTBHZTQI-UHFFFAOYSA-N;138.21;-0.05;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_SP1";;;;;;;0.04;;-5.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM455323;MM455323;O=CCC#CC=CCCF;FHLFEQMLEVNYJI-UHFFFAOYSA-N;140.16;1.49;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_Na";;;;;;;1.64;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM455324;MM455324;C#CC(CO)CNC1CC1;CDGIZISMMKFKKY-UHFFFAOYSA-N;139.2;-0.02;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nda_SP1";;;;;;;0.04;;-4.7;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM455325;MM455325;N#CCC#CC=CCCF;QRPBLORYIPULFM-UHFFFAOYSA-N;137.16;1.82;;;;;DOPC;MDCG;27;0;"MARTINI bead: C3_P1";;;;;;;1.74;;0.29;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM455326;MM455326;C#CC(CNC1CC1)NC;WIVKFDWRXDGMNG-UHFFFAOYSA-N;138.21;-0.04;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1_SP1";;;;;;;-0.79;;-4.72;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM455327;MM455327;C=CCC#CC=CCNC;DWRZAUGCYYYEHX-UHFFFAOYSA-N;135.21;1.34;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_C5";;;;;;;1.64;;-2.14;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM455328;MM455328;C#CC(CNC1CC1)OC;YSBGMMAOQZHQGV-UHFFFAOYSA-N;139.2;0.39;;;;;DOPC;MDCG;27;1;"MARTINI bead: Na_SP1";;;;;;;0.04;;-4.12;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM455329;MM455329;CNCC=CC#CCC=O;PZLYAHYVZMZJDY-UHFFFAOYSA-N;137.18;0.35;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_Na";;;;;;;0.87;;-4.02;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM455330;MM455330;C#CC(CC)COC1CC1;WORVSHZKLWIFLX-UHFFFAOYSA-N;138.21;1.82;;;;;DOPC;MDCG;27;0;"MARTINI bead: C2_SP1";;;;;;;2;;0.29;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM455331;MM455331;CNCC=CC#CCC#N;UECMJFAIQBSFQK-UHFFFAOYSA-N;134.18;0.68;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_N0";;;;;;;1.17;;-3.28;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM455332;MM455332;C#CC(COC1CC1)OC;HNUGETDQUWFUQJ-UHFFFAOYSA-N;140.18;0.81;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_SP1";;;;;;;0.04;;-2.54;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM455333;MM455333;C=CCC#CC=CCOC;MWBMWHUMULBKFV-UHFFFAOYSA-N;136.19;1.77;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_C3";;;;;;;2.57;;0.45;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM455334;MM455334;C#CC(CN)CCC1CN1;HDZCVCFQAXXKBA-UHFFFAOYSA-N;138.21;-0.05;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_SP1";;;;;;;0.04;;-5.11;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM455335;MM455335;COCC=CC#CCC=O;QUPZKWIPEJCXBR-UHFFFAOYSA-N;138.17;0.78;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_Na";;;;;;;0.87;;-2.22;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM455336;MM455336;C#CC(CCC1CN1)NC;MXIOZNNINBBUPX-UHFFFAOYSA-N;138.21;-0.04;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1_SP1";;;;;;;-0.79;;-5.14;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM455337;MM455337;COCC=CC#CCC#N;MXWALERBIQQTCH-UHFFFAOYSA-N;135.17;1.11;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_N0";;;;;;;1.17;;-1.18;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM455338;MM455338;C#CC(CC)NCC1CN1;VXASHBRSEKTHMZ-UHFFFAOYSA-N;138.21;-0.04;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_SP1";;;;;;;0.04;;-3.84;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM455339;MM455339;C=CCC#CC=COCC;NSORQZVZCVBCAL-UHFFFAOYSA-N;136.19;2.12;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_C5";;;;;;;2.41;;0.64;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM455340;MM455340;C#CC(CN)CCC1CO1;ZQCIOIXWNSKVRW-UHFFFAOYSA-N;139.2;0.37;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_SNa";;;;;;;0.87;;-4.36;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM455341;MM455341;CCOC=CC#CCC=O;LPQLGNHGEYDYBF-UHFFFAOYSA-N;138.17;1.13;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_Na";;;;;;;1.64;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM455342;MM455342;C=NNCC#CCOC=O;WRPRQXLMLOIBML-UHFFFAOYSA-N;140.14;-0.63;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_N0";;;;;;;0.34;;-1.53;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM455343;MM455343;CCOC=CC#CCC#N;MHDBLPBVRHYJHH-UHFFFAOYSA-N;135.17;1.45;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_N0";;;;;;;1.94;;0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM455344;MM455344;C#CC(CC)NCC1CO1;UQSAOPVMYGNISH-UHFFFAOYSA-N;139.2;0.39;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_SNa";;;;;;;0.87;;-3.19;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM455345;MM455345;C=CCC#CC=NNCC;ZZIWKSWSOCHSRT-UHFFFAOYSA-N;136.2;1.16;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_C3";;;;;;;1.74;;0.29;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM455346;MM455346;C#CC(OC)OCC1CO1;GIAWWPZHACOOFM-UHFFFAOYSA-N;142.15;0.01;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_SNa";;;;;;;-0.24;;-3.24;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM455347;MM455347;CCNNC(=N)C#N;ZZORKMOUGVVRLM-UHFFFAOYSA-N;112.14;-0.4;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_P1";;;;;;;-0.79;;-3.13;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM455348;MM455348;C#CC(CN)CCN1CC1;WOQUWQXGOMDGII-UHFFFAOYSA-N;138.21;-0.1;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_SP1";;;;;;;0.04;;-5.1;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM455349;MM455349;CCNN=CC#CCC#N;VJHFUTMJRKWAFI-UHFFFAOYSA-N;135.17;0.5;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nd_N0";;;;;;;1.17;;-1.04;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM455350;MM455350;C=CC(C=C)CCC1CC1;VEEMRYABOUJOFV-UHFFFAOYSA-N;136.24;3.16;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1_SC5";;;;;;;3.68;;0.46;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM455351;MM455351;C=CCC#CC=NOCC;PBBLZMCHRNCOBN-UHFFFAOYSA-N;137.18;1.59;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_C5";;;;;;;1.64;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM455352;MM455352;C=CC(C=O)CCC1CC1;BTHWMKFFQHTKLV-UHFFFAOYSA-N;138.21;2.18;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_SC5";;;;;;;1.64;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM455353;MM455353;CCON=CC#CCC#N;BFFNDZCURGGRNN-UHFFFAOYSA-N;136.15;0.93;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_N0";;;;;;;1.17;;-1.18;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM455354;MM455354;C=CC(C#N)CCC1CC1;MEXXYWTTXFUWDS-UHFFFAOYSA-N;135.21;2.5;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_SC5";;;;;;;2.41;;0.64;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM455355;MM455355;C#CCC#CC=CCCC;AAMDWUANLMBIFL-UHFFFAOYSA-N;132.21;2.37;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1_N0";;;;;;;3.21;;0.46;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM455356;MM455356;N#CC(C#N)CCC1CC1;KSZDRIRTRJKOMW-UHFFFAOYSA-N;134.18;1.84;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_SC5";;;;;;;0.81;;-0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM455357;MM455357;C#CCC#CC=CCCN;MHESXYAIBWAKQO-UHFFFAOYSA-N;133.19;0.92;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_N0";;;;;;;1.17;;-3.8;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM455358;MM455358;C=CC(C=C)NCC1CC1;GGNJCZBJSFVRLD-UHFFFAOYSA-N;137.23;1.73;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_SC5";;;;;;;1.64;;-1.87;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM455359;MM455359;C#CCC#CC=CCCO;CJCLPZNXLXEPTF-UHFFFAOYSA-N;134.18;0.95;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda_N0";;;;;;;1.17;;-1.13;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM455360;MM455360;C=CC(C#N)NCC1CC1;DLRLHIZNNBZVEG-UHFFFAOYSA-N;136.2;1.06;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_SC5";;;;;;;0.81;;-0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM455361;MM455361;C#CCC#CC=CCCF;GTBIUSHMKLOECY-UHFFFAOYSA-N;136.17;1.93;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_N0";;;;;;;1.94;;0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM455362;MM455362;C#CCC#CC=CCNC;GSKAJHPAJAZQIX-UHFFFAOYSA-N;133.19;0.79;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_N0";;;;;;;1.17;;-3.28;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM455363;MM455363;C=CC(C=C)OCC1CC1;VMZZHLKJJHXCLR-UHFFFAOYSA-N;138.21;2.15;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_SC5";;;;;;;1.64;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM455364;MM455364;C#CCC#CC=CCOC;NBTZQZKDZYASBG-UHFFFAOYSA-N;134.18;1.22;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_C3";;;;;;;2.57;;0.45;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM455365;MM455365;C=CC(C=O)CNC1CC1;MASLIGSBISADGW-UHFFFAOYSA-N;139.2;0.74;;;;;DOPC;MDCG;27;1;"MARTINI bead: Na_SP1";;;;;;;0.04;;-4.75;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM455366;MM455366;C#CCC#CC=COCC;VVXWZAMBBAPSPR-UHFFFAOYSA-N;134.18;1.56;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_N0";;;;;;;1.94;;0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM455367;MM455367;N#CC(C#N)CNC1CC1;BTKRZYROQNEKJJ-UHFFFAOYSA-N;135.17;0.4;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_SP1";;;;;;;-0.79;;-3.13;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM455368;MM455368;C#CCC#CC=NNCC;BYWBYRPTAHAHQM-UHFFFAOYSA-N;134.18;0.61;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_C3";;;;;;;1.74;;0.29;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM455369;MM455369;C=CN(C=N)CCC1CC1;KPLMAFPLBNTGKH-UHFFFAOYSA-N;138.21;1.84;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1_SC5";;;;;;;0.81;;-4.39;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM455370;MM455370;C#CCC#CC=NOCC;BTLKBJYRHNALTE-UHFFFAOYSA-N;135.17;1.04;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_C3";;;;;;;1.74;;0.29;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM455371;MM455371;C=CN(C=O)CCC1CC1;KLKYOAZYHYFMQC-UHFFFAOYSA-N;139.2;1.39;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_SC5";;;;;;;0.54;;-1.09;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM455372;MM455372;C=CCC=CC#CCCC;PCPFXEKTFLTIRA-UHFFFAOYSA-N;134.22;2.92;;;;;DOPC;MDCG;27;0;"MARTINI bead: C3_C2";;;;;;;4.53;;0.32;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM455373;MM455373;N=CN(C=N)CCC1CC1;WCCSNHNUPHXHMS-UHFFFAOYSA-N;139.2;1.3;;;;;DOPC;MDCG;27;1;"MARTINI bead: P2_SC5";;;;;;;0.54;;-3.14;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM455374;MM455374;C=CCC=CC#CCCF;QWJMBIBVXAGYCS-UHFFFAOYSA-N;138.19;2.48;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_C2";;;;;;;2.83;;0.35;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM455375;MM455375;N=CN(C=O)CCC1CC1;FOEYHFAETMFFEU-UHFFFAOYSA-N;140.19;0.85;;;;;DOPC;MDCG;27;0;"MARTINI bead: P3_SC5";;;;;;;-0.33;;-2.01;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM455376;MM455376;C=NN(C=N)CCC1CC1;YKWOLFKRJUEIET-UHFFFAOYSA-N;139.2;1.31;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_SC5";;;;;;;0.54;;-1.09;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM455377;MM455377;CCCC#CC=CCC=O;HQDOCHAYKLFDMH-UHFFFAOYSA-N;136.19;1.94;;;;;DOPC;MDCG;27;0;"MARTINI bead: C3_Na";;;;;;;2.57;;0.45;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM455378;MM455378;C=NN(C=O)CCC1CC1;RZFMOYVWDMMWQU-UHFFFAOYSA-N;140.19;0.86;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_SC5";;;;;;;0.54;;-1.09;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM455379;MM455379;CCCC#CC=CCC#N;RZQBAKMQKGLBFV-UHFFFAOYSA-N;133.19;2.26;;;;;DOPC;MDCG;27;0;"MARTINI bead: C3_N0";;;;;;;2.87;;0.37;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM455380;MM455380;C=CN(C=N)NCC1CC1;NMGVMHXFNIUTCB-UHFFFAOYSA-N;139.2;0.95;;;;;DOPC;MDCG;27;1;"MARTINI bead: P3_SC5";;;;;;;-0.33;;-4.74;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM455381;MM455381;N#CCC=CC#CCCO;FNWSAPBKAAENSC-UHFFFAOYSA-N;135.17;0.84;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_N0";;;;;;;0.34;;-1.53;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM455382;MM455382;C=CN(C=O)NCC1CC1;WDMZFWUHPFCLCQ-UHFFFAOYSA-N;140.19;0.5;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_SC5";;;;;;;0.54;;-1.09;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM455383;MM455383;O=CCC=CC#CCCF;PQYWRHJBCCGXPJ-UHFFFAOYSA-N;140.16;1.49;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4_C5";;;;;;;2.97;;0.45;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM455384;MM455384;O=CN(C=O)NCC1CC1;VJNPBRYEONKSGW-UHFFFAOYSA-N;142.16;-0.48;;;;;DOPC;MDCG;27;0;"MARTINI bead: P3_SC5";;;;;;;-0.33;;-2.01;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM455385;MM455385;N#CCC=CC#CCCF;LTPNTCMMDASHKO-UHFFFAOYSA-N;137.16;1.82;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_N0";;;;;;;1.17;;-1.18;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM455386;MM455386;C=CN(C=N)CCC1CN1;LOLVGKJRBKDCGR-UHFFFAOYSA-N;139.2;0.4;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1_SP1";;;;;;;-0.79;;-7.02;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM455387;MM455387;C=CCC=CC#CCNC;FBHJVELZVVIYIT-UHFFFAOYSA-N;135.21;1.34;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_C3";;;;;;;2.57;;-0.4;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM455388;MM455388;N=CN(C=N)NCC1CN1;LIKOZLXVTZBOOD-UHFFFAOYSA-N;141.18;-1.02;;;;;DOPC;MDCG;27;1;"MARTINI bead: P3_SP1";;;;;;;-1.93;;-5.79;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM455389;MM455389;COCC#CC=CCC#N;DBWYDEVCKBSAFY-UHFFFAOYSA-N;135.17;1.11;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_P1";;;;;;;0.81;;-0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM455390;MM455390;CCCC#CC=CNC=N;ZPKVBVMKQQZBCL-UHFFFAOYSA-N;136.2;1.5;;;;;DOPC;MDCG;27;1;"MARTINI bead: C3_P2";;;;;;;1.46;;-3.42;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM455391;MM455391;C=CC(C=C)CCC1CO1;KUSSADSEBXZGHB-UHFFFAOYSA-N;138.21;2.15;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1_SNa";;;;;;;2.91;;0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM455392;MM455392;C=CC(C=O)CCC1CO1;AKJRYZZAGAPZLG-UHFFFAOYSA-N;140.18;1.17;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_SNa";;;;;;;0.87;;-2.22;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM455393;MM455393;N=CNC=CC#CCCN;LYSVLOPFAKDSDC-UHFFFAOYSA-N;137.19;0.05;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_P2";;;;;;;-0.24;;-6.6;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM455394;MM455394;C=CC(C#N)CCC1CO1;FVJYYPNFPBHYAD-UHFFFAOYSA-N;137.18;1.49;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_SNa";;;;;;;1.64;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM455395;MM455395;N=CNC=CC#CCCO;FQXKNNDRSDRWNQ-UHFFFAOYSA-N;138.17;0.08;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nda_P2";;;;;;;-0.24;;-6.7;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM455396;MM455396;N#CC(C#N)CCC1CO1;HYOYKFZBJZGLHH-UHFFFAOYSA-N;136.15;0.83;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_SNa";;;;;;;0.04;;-2.54;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM455397;MM455397;CCCC#CC=CNC=O;GIROKNGZSASUKK-UHFFFAOYSA-N;137.18;1.05;;;;;DOPC;MDCG;27;0;"MARTINI bead: C3_P2";;;;;;;1.46;;-0.15;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM455398;MM455398;C=CC(C#N)NCC1CO1;AXZBBZQTILVJKO-UHFFFAOYSA-N;138.17;0.05;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_SNa";;;;;;;0.04;;-2.54;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM455399;MM455399;C=COC=CC#CCCC;LUDYBPLPJLPLJF-UHFFFAOYSA-N;136.19;2.46;;;;;DOPC;MDCG;27;0;"MARTINI bead: C3_C5";;;;;;;3.34;;0.48;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM455400;MM455400;N#CC(C=O)OCC1CO1;YJXVQEQVCDHAAZ-UHFFFAOYSA-N;141.13;-0.51;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_SNa";;;;;;;-0.24;;-3.24;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM455401;MM455401;C=COC=CC#CCCN;LNNPEYOFAXWGEL-UHFFFAOYSA-N;137.18;1.01;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_Na";;;;;;;0.87;;-4.29;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM455402;MM455402;O=CN(C=O)CCC1CO1;XCIAUXVBVLDPHP-UHFFFAOYSA-N;143.14;-0.61;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_SNa";;;;;;;-0.24;;-3.24;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM455403;MM455403;C=COC=CC#CCCO;PZMFNHZJMVETRR-UHFFFAOYSA-N;138.17;1.05;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda_C5";;;;;;;1.64;;0.05;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM455404;MM455404;C=NN(C=O)CCC1CO1;SKXIVZWONZZIDC-UHFFFAOYSA-N;142.16;-0.15;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_SNa";;;;;;;-0.24;;-3.24;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM455405;MM455405;C=COC=CC#CCNC;ACRFXOBGHLYHLB-UHFFFAOYSA-N;137.18;0.88;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_Na";;;;;;;0.87;;-3.5;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM455406;MM455406;C=CN(C=N)NCC1CO1;WTJVTBKYRUFPMQ-UHFFFAOYSA-N;141.17;-0.06;;;;;DOPC;MDCG;27;1;"MARTINI bead: P3_SNa";;;;;;;-1.1;;-6.91;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM455407;MM455407;C=COC=CC#CCOC;DFCAHCIELZDDND-UHFFFAOYSA-N;138.17;1.31;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_C5";;;;;;;1.64;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM455408;MM455408;O=CN(C=O)NCC1CO1;XVDVFNGDJWWHSK-UHFFFAOYSA-N;144.13;-1.5;;;;;DOPC;MDCG;27;0;"MARTINI bead: P3_SNa";;;;;;;-1.1;;-4.2;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM455409;MM455409;CCCC#CC=NNC=O;TXSUSXXIBDFYHM-UHFFFAOYSA-N;138.17;0.52;;;;;DOPC;MDCG;27;0;"MARTINI bead: C3_P2";;;;;;;1.46;;-0.15;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM455410;MM455410;O=CN(C=O)OCC1CO1;WYDRJQGAXPKELA-UHFFFAOYSA-N;145.11;-1.07;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_SNa";;;;;;;-0.24;;-3.24;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM455411;MM455411;CCCC#CC=NOC=O;KQFUYSYUNDOXAB-UHFFFAOYSA-N;139.15;0.95;;;;;DOPC;MDCG;27;0;"MARTINI bead: C3_P1";;;;;;;1.74;;0.29;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM455412;MM455412;C#CCNN=C(C)C1CN1;TYHIKCHEAHHPIY-UHFFFAOYSA-N;137.19;-0.44;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nd_SP2";;;;;;;-0.24;;-3.16;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM455413;MM455413;COCC#CC=NOC=O;PKRRTOZPXRHHLR-UHFFFAOYSA-N;141.13;-0.21;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_Na";;;;;;;0.87;;-2.22;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM455414;MM455414;C=CC(C#N)CCN1CC1;RAMQAMOSMFWEAM-UHFFFAOYSA-N;136.2;1.02;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_SP1";;;;;;;0.81;;-0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM455415;MM455415;C=CCC#CC=CCC=C;IEAICKKRNADXOZ-UHFFFAOYSA-N;132.21;2.7;;;;;DOPC;MDCG;27;0;"MARTINI bead: C2_C5";;;;;;;3.6;;0.34;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM455416;MM455416;N=c1[nH]c2cccc-2no1;DZMFPQVQSCCDSF-UHFFFAOYSA-N;135.13;0.59;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP2_SP1";;;;;;;-1.06;;-3.82;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM455417;MM455417;C=CCC=CC#CCC=O;KLSUKGIXYIFSLQ-UHFFFAOYSA-N;134.18;1.71;;;;;DOPC;MDCG;27;0;"MARTINI bead: C2_Na";;;;;;;2.83;;0.35;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM455418;MM455418;N#CC(C#N)CCN1CC1;WXUUVUACPMJPQS-UHFFFAOYSA-N;135.17;0.36;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_SP1";;;;;;;-0.79;;-3.13;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM455419;MM455419;C=CCC=CC#CCC#N;BOPBVKRJHMTPKH-UHFFFAOYSA-N;131.18;2.04;;;;;DOPC;MDCG;27;0;"MARTINI bead: C2_N0";;;;;;;3.13;;0.3;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM455420;MM455420;C=CN(C=N)CCN1CC1;SJIUDJXXMJKSRV-UHFFFAOYSA-N;139.2;0.35;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1_SP1";;;;;;;-0.79;;-6.76;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM455421;MM455421;C=CCC#CC=CCC#N;CMXCJCXTVHCNGT-UHFFFAOYSA-N;131.18;2.04;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_N0";;;;;;;1.94;;0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM455422;MM455422;N=CN(C=N)CCN1CC1;USTWOLAYVYBPDC-UHFFFAOYSA-N;140.19;-0.18;;;;;DOPC;MDCG;27;1;"MARTINI bead: P2_SP1";;;;;;;-1.06;;-5.58;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM455423;MM455423;N#CCC#CC=CCC=O;LZCCJJDRSQDOSR-UHFFFAOYSA-N;133.15;1.05;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_N0";;;;;;;1.17;;-1.18;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM455424;MM455424;N=CN(C=O)CCN1CC1;JMNOACVZFOBUBY-UHFFFAOYSA-N;141.17;-0.63;;;;;DOPC;MDCG;27;0;"MARTINI bead: P3_SP1";;;;;;;-1.93;;-4.72;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM455425;MM455425;N#CCC#CC=CCC#N;YRZRQXYGRXVNSA-UHFFFAOYSA-N;130.15;1.37;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_N0";;;;;;;0.34;;-1.53;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM455426;MM455426;O=CN(C=O)CCN1CC1;KTUKQWIUMOBPOK-UHFFFAOYSA-N;142.16;-1.08;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_SP1";;;;;;;-1.06;;-3.82;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM455427;MM455427;C=CCC#CC=CNC=N;FHKINROOCKDBNU-UHFFFAOYSA-N;134.18;1.28;;;;;DOPC;MDCG;27;1;"MARTINI bead: C3_P3";;;;;;;0.6;;-4.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM455428;MM455428;C=NN(C=O)CCN1CC1;FMFYOYLCQQWNGQ-UHFFFAOYSA-N;141.17;-0.62;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_SP1";;;;;;;-1.06;;-3.82;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM455429;MM455429;N=CNC=CC#CCC=O;XXKVFWBOENQLCL-UHFFFAOYSA-N;136.15;0.29;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1_Na";;;;;;;0.04;;-5.97;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM455430;MM455430;C#CC(C=C)CCC1CC1;SBXNIUQNMDVOCU-UHFFFAOYSA-N;134.22;2.61;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4_SC5";;;;;;;2.97;;0.45;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM455431;MM455431;C=CCC#CC=CNC=O;XJLMQPJPMZECCL-UHFFFAOYSA-N;135.17;0.83;;;;;DOPC;MDCG;27;0;"MARTINI bead: C3_P3";;;;;;;0.6;;-0.8;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM455432;MM455432;C#CC(C=O)CCC1CC1;ZAPMYYWRVGHFOW-UHFFFAOYSA-N;136.19;1.62;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_SC5";;;;;;;1.64;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM455433;MM455433;C=CCC#CC=COC=C;GPDAYFKFWVXBQB-UHFFFAOYSA-N;134.18;2.24;;;;;DOPC;MDCG;27;0;"MARTINI bead: C3_Na";;;;;;;2.57;;0.45;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM455434;MM455434;C#CC(C#N)CCC1CC1;IOTOIZHZKBWJCY-UHFFFAOYSA-N;133.19;1.95;;;;;DOPC;MDCG;27;0;"MARTINI bead: N0_SC5";;;;;;;1.94;;0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM455435;MM455435;C=COC=CC#CCC=O;VVUNVDSWOIAJDW-UHFFFAOYSA-N;136.15;1.25;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_Na";;;;;;;1.64;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM455436;MM455436;C=COC=CC#CCC#N;QTPQLDWKHPXLOC-UHFFFAOYSA-N;133.15;1.58;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_N0";;;;;;;1.17;;-1.18;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM455437;MM455437;CNC=C(F)C#N;MYETUZGBVFHKBO-UHFFFAOYSA-N;100.1;0.54;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_C5";;;;;;;0.54;;-1.09;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM455438;MM455438;C=CCC#CC=NOC=O;YHJZWKLISKRDPN-UHFFFAOYSA-N;137.14;0.72;;;;;DOPC;MDCG;27;0;"MARTINI bead: C3_P2";;;;;;;1.46;;-0.15;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM455439;MM455439;C#CC(C=C)CNC1CC1;WPGAAGNPMIBHNW-UHFFFAOYSA-N;135.21;1.17;;;;;DOPC;MDCG;27;1;"MARTINI bead: C4_SP1";;;;;;;1.37;;-2.33;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM455440;MM455440;C=CC1(F)C=NNC1;MBEJPJGNMRHSFJ-UHFFFAOYSA-N;114.12;0.47;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNa_SP1";;;;;;;0.04;;-2.54;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM455441;MM455441;C#CC(C=O)CNC1CC1;UQFDRBQXNPRWKN-UHFFFAOYSA-N;137.18;0.19;;;;;DOPC;MDCG;27;1;"MARTINI bead: Na_SP1";;;;;;;0.04;;-4.29;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM455442;MM455442;N#CCC#CC=NOC=O;QSPZJUKANJUMGK-UHFFFAOYSA-N;136.11;0.06;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_N0";;;;;;;0.34;;-1.53;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM455443;MM455443;C#CC(C=C)CCC1CO1;FDVIYQDYYPFKNP-UHFFFAOYSA-N;136.19;1.6;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4_SNa";;;;;;;2.2;;0.34;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM455444;MM455444;C#CC(C=O)CCC1CO1;DJXUWTDQWPYDOQ-UHFFFAOYSA-N;138.17;0.61;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_SNa";;;;;;;0.87;;-2.22;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM455445;MM455445;C#CCC#CC=CCC=C;CSRRLKJRFZDARV-UHFFFAOYSA-N;130.19;2.15;;;;;DOPC;MDCG;27;0;"MARTINI bead: C2_N0";;;;;;;3.13;;0.3;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM455446;MM455446;C#CC(C#N)CCC1CO1;RTXVTQZXQRUXFM-UHFFFAOYSA-N;135.17;0.94;;;;;DOPC;MDCG;27;0;"MARTINI bead: N0_SNa";;;;;;;1.17;;-1.18;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM455447;MM455447;C#CCC#CC=CCC#N;DVUSNDCTWQHCMX-UHFFFAOYSA-N;129.16;1.48;;;;;DOPC;MDCG;27;0;"MARTINI bead: C3_P1";;;;;;;1.74;;0.29;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM455448;MM455448;N=C1NCCC1=O;DBLJCTFAZNCOFQ-UHFFFAOYSA-N;98.11;-0.47;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNd_SP2";;;;;;;-0.24;;-3.16;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM455449;MM455449;C#CCC#CC=CNC=N;ZEPMNLFENYFQRF-UHFFFAOYSA-N;132.17;0.72;;;;;DOPC;MDCG;27;1;"MARTINI bead: P3_C3";;;;;;;0.6;;-4.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM455450;MM455450;N=C1NC(=CF)CO1;LNMXXMXEBVRFOH-UHFFFAOYSA-N;116.1;0.35;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP1_SP2";;;;;;;-1.06;;-3.82;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM455451;MM455451;C#CCC#CC=CNC=O;XNXFZHGJIJLOEE-UHFFFAOYSA-N;133.15;0.27;;;;;DOPC;MDCG;27;0;"MARTINI bead: P3_C3";;;;;;;0.6;;-0.8;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM455452;MM455452;C#CCC#CC=COC=C;POJUDYMNMVTOHQ-UHFFFAOYSA-N;132.16;1.69;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_C3";;;;;;;2.57;;0.45;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM455453;MM455453;C#CC(C#C)CCC1CC1;VUPNZDFSCVNBGU-UHFFFAOYSA-N;132.21;2.06;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_SC5";;;;;;;2.41;;0.64;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM455454;MM455454;C#CCC=CC#CCCC;RUNCSTGNAOWUBP-UHFFFAOYSA-N;132.21;2.37;;;;;DOPC;MDCG;27;0;"MARTINI bead: C3_C5";;;;;;;3.34;;0.48;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM455455;MM455455;C#CC(C#C)OCC1CC1;ACWBHMNJHPNBEG-UHFFFAOYSA-N;134.18;1.05;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_SC5";;;;;;;1.64;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM455456;MM455456;C#CCC=CC#CCC=C;DBUXVDHEMCZQIU-UHFFFAOYSA-N;130.19;2.15;;;;;DOPC;MDCG;27;0;"MARTINI bead: C2_N0";;;;;;;3.13;;0.3;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM455457;MM455457;C#CC(C#C)CNC1CC1;OCWBUEQZBDXINN-UHFFFAOYSA-N;133.19;0.62;;;;;DOPC;MDCG;27;1;"MARTINI bead: C5_SP1";;;;;;;0.81;;-2.4;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM455458;MM455458;C#CCC=CC#CCC#N;AHLNEMMOPRBQTO-UHFFFAOYSA-N;129.16;1.48;;;;;DOPC;MDCG;27;0;"MARTINI bead: N0_N0";;;;;;;1.47;;-0.05;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM455459;MM455459;C#CC(C#C)COC1CC1;JWDRDTPTIPOBAM-UHFFFAOYSA-N;134.18;1.05;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_SP1";;;;;;;0.81;;-0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM455460;MM455460;C#CCC#CC=CCC#C;SGTYPGZXHXPZKX-UHFFFAOYSA-N;128.17;1.59;;;;;DOPC;MDCG;27;0;"MARTINI bead: N0_C3";;;;;;;2.87;;0.37;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM455461;MM455461;C#CC(C#C)CCC1CO1;WLSWFDDQSSSDJA-UHFFFAOYSA-N;134.18;1.05;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_SNa";;;;;;;1.64;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM455462;MM455462;CC=CC#CC=CCCC;RVVJQGVKCQPXCO-UHFFFAOYSA-N;134.22;2.92;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1_C4";;;;;;;4.24;;0.42;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM455463;MM455463;CC=C(CC)CCC1CC1;YTPPLPYAPMQNLK-UHFFFAOYSA-N;138.25;3.53;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1_SC5";;;;;;;3.68;;0.46;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM455464;MM455464;CCCC=CC#CC=CF;LHHSUEFVPBKCEK-UHFFFAOYSA-N;138.19;2.83;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1_C4";;;;;;;4.24;;0.42;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM455465;MM455465;CC=C(CN)CCC1CC1;HORVHVVGQIVIBD-UHFFFAOYSA-N;139.24;2.08;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_SC5";;;;;;;1.64;;-2.14;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM455466;MM455466;CC=CC#CC=CCCN;KDVOUHHJJPHOHP-UHFFFAOYSA-N;135.21;1.47;;;;;DOPC;MDCG;27;1;"MARTINI bead: C1_Nd";;;;;;;2.91;;-0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM455467;MM455467;CC1CNN=C1C#N;FVBDZVCPCUYLLD-UHFFFAOYSA-N;109.13;0.11;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP1_SP1";;;;;;;-0.79;;-3.13;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM455468;MM455468;NCCC=CC#CC=CF;WBBQHMASKJOLKR-UHFFFAOYSA-N;139.17;1.38;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_C5";;;;;;;1.64;;-2.66;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM455469;MM455469;CC=C(CF)CCC1CC1;LXPWMUGOQBPEMB-UHFFFAOYSA-N;142.22;3.09;;;;;DOPC;MDCG;27;0;"MARTINI bead: C3_SC5";;;;;;;3.34;;0.48;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM455470;MM455470;CC=CC#CC=CCCO;HRKMZACUDYKOCG-UHFFFAOYSA-N;136.19;1.5;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1_Nda";;;;;;;2.91;;0.57;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM455471;MM455471;CCC(CCC1CC1)=NN;DINGGMXTSGSYDA-UHFFFAOYSA-N;140.23;1.9;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_SC5";;;;;;;2.41;;0.64;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM455472;MM455472;FC=CC#CC=CCCF;KUVYSSDGURCPQM-UHFFFAOYSA-N;142.15;2.39;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_C5";;;;;;;2.41;;0.64;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM455473;MM455473;CCC(CCC1CC1)=NO;PZYOSISRPOBSKG-UHFFFAOYSA-N;141.21;2.42;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda_SC5";;;;;;;1.64;;0.05;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM455474;MM455474;CCCC=CC#CC=NN;SJPRRIPXBWBEDK-UHFFFAOYSA-N;136.2;1.29;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1_P1";;;;;;;2.08;;0.48;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM455475;MM455475;NCC(CCC1CC1)=NO;TUNWOZMSZZSRJN-UHFFFAOYSA-N;142.2;0.97;;;;;DOPC;MDCG;27;1;"MARTINI bead: P2_SC5";;;;;;;0.54;;-2.28;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM455476;MM455476;COC(=N)NC(=N)CF;AJZWDJMCZKZWNQ-UHFFFAOYSA-N;133.13;0.1;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_Na";;;;;;;-0.24;;-3.24;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM455477;MM455477;CCCC=CC#CC=NO;BSPNUOQECGCPKB-UHFFFAOYSA-N;137.18;1.81;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1_P1";;;;;;;2.08;;0.48;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM455478;MM455478;CC=CC#CC=CCNC;UGZYHACPHVVXJW-UHFFFAOYSA-N;135.21;1.34;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_C4";;;;;;;2.2;;-1.65;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM455479;MM455479;CN=C(CCC1CC1)NC;IRKXNQUCMRWJRC-UHFFFAOYSA-N;140.23;1.42;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_SC5";;;;;;;1.64;;-4.69;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM455480;MM455480;CN=C(CCC1CC1)NN;JQLSHGFYHLNTKB-UHFFFAOYSA-N;141.22;0.67;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_SC5";;;;;;;1.64;;-3.02;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM455481;MM455481;CNCC=CC#CC=CF;MDCDDRUCEWLIBO-UHFFFAOYSA-N;139.17;1.25;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_C5";;;;;;;1.64;;-2.11;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM455482;MM455482;CC=CC#CC=CCOC;JEBWHFNLPVNEPI-UHFFFAOYSA-N;136.19;1.77;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_C1";;;;;;;2.91;;0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM455483;MM455483;CN=C(CCC1CC1)NO;NLZZJHBOMHITCK-UHFFFAOYSA-N;142.2;1.18;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nda_SC5";;;;;;;1.64;;-1.78;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM455484;MM455484;COCC=CC#CC=NN;WPPDHVPGQUPNLQ-UHFFFAOYSA-N;138.17;0.14;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_Nd";;;;;;;0.87;;-1.88;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM455485;MM455485;CC=C(CCC1CC1)OC;KXYURMMSVPTYIC-UHFFFAOYSA-N;140.23;2.73;;;;;DOPC;MDCG;27;0;"MARTINI bead: C3_SC5";;;;;;;3.34;;0.48;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM455486;MM455486;CC=CC#CC=COCC;NBJUOCOZDOCHMN-UHFFFAOYSA-N;136.19;2.12;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_C4";;;;;;;2.97;;0.45;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM455487;MM455487;CCC(=NCC1CC1)NC;AQOYLCRGRVVMAV-UHFFFAOYSA-N;140.23;1.42;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_SC5";;;;;;;1.64;;-4.39;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM455488;MM455488;CCOC=CC#CC=CF;KPKCSUVPWVZROJ-UHFFFAOYSA-N;140.16;2.02;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_C5";;;;;;;2.41;;0.64;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM455489;MM455489;CN=C(CN)NCC1CC1;HYZFMTYEIVTKER-UHFFFAOYSA-N;141.22;-0.03;;;;;DOPC;MDCG;27;1;"MARTINI bead: P3_SC5";;;;;;;-0.33;;-5.05;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM455490;MM455490;CCOC=CC#CC=NN;AWARDROMBYUVNC-UHFFFAOYSA-N;138.17;0.48;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_Nd";;;;;;;0.87;;-1.88;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM455491;MM455491;CC=C(CC)OCC1CC1;IHVCZRHDMXMEGP-UHFFFAOYSA-N;140.23;2.73;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4_SC5";;;;;;;2.97;;0.45;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM455492;MM455492;CC=CC#CC=NNCC;GDWHNPVKEXZGHZ-UHFFFAOYSA-N;136.2;1.16;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_C1";;;;;;;2.08;;0.48;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM455493;MM455493;CC=C(CN)OCC1CC1;LEWULHKSEIYLCQ-UHFFFAOYSA-N;141.21;1.28;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1_SC5";;;;;;;0.81;;-1.94;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM455494;MM455494;CC=CC#CC=NOCC;HMHOESTVTWUIIJ-UHFFFAOYSA-N;137.18;1.59;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_C4";;;;;;;2.2;;0.34;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM455495;MM455495;CCC(=NO)OCC1CC1;PMJMMJKNSIMXKC-UHFFFAOYSA-N;143.19;1.61;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_SC5";;;;;;;0.81;;-0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM455496;MM455496;CCON=CC#CC=CF;BGOXUNYJUGNQRI-UHFFFAOYSA-N;141.15;1.5;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_C4";;;;;;;2.97;;0.45;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM455497;MM455497;CC=C(CC)CNC1CC1;GAJTTYCUNGKSTJ-UHFFFAOYSA-N;139.24;2.09;;;;;DOPC;MDCG;27;1;"MARTINI bead: C1_SP1";;;;;;;2.08;;-0.6;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM455498;MM455498;CCON=CC#CC=NO;NHLLBQGDMXFLDP-UHFFFAOYSA-N;140.14;0.47;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_P1";;;;;;;0.81;;-0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM455499;MM455499;CC=C(CO)CNC1CC1;SDLDCVPXXPPKHI-UHFFFAOYSA-N;141.21;0.68;;;;;DOPC;MDCG;27;1;"MARTINI bead: C5_SP1";;;;;;;0.81;;-2.17;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM455500;MM455500;C=CCC=CC#CC=CF;SMQVCHVAVUEXSC-UHFFFAOYSA-N;136.17;2.61;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4_C1";;;;;;;4.24;;0.42;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM455501;MM455501;CC=C(CF)CNC1CC1;VFIGWWNPTJOAHP-UHFFFAOYSA-N;143.21;1.65;;;;;DOPC;MDCG;27;1;"MARTINI bead: C3_SP1";;;;;;;1.74;;-1.16;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM455502;MM455502;CC=CC#CC=CCC=O;UREVGWRRHRULGG-UHFFFAOYSA-N;134.18;1.71;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4_Na";;;;;;;2.2;;0.34;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM455503;MM455503;CN=C(CNC1CC1)NC;MHBCLYAOQPHWNJ-UHFFFAOYSA-N;141.22;-0.01;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_SP1";;;;;;;0.04;;-6.07;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM455504;MM455504;CC=CC#CC=CCC#N;IJFMQZZBKCBXMR-UHFFFAOYSA-N;131.18;2.04;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4_N0";;;;;;;2.5;;0.44;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM455505;MM455505;CC=C(CNC1CC1)OC;YUTQVJZJUGKQGM-UHFFFAOYSA-N;141.21;1.29;;;;;DOPC;MDCG;27;1;"MARTINI bead: C3_SP1";;;;;;;1.74;;-0.63;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM455506;MM455506;O=CCC=CC#CC=CF;IYQKEEABQJYZNC-UHFFFAOYSA-N;138.14;1.62;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_Na";;;;;;;1.64;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM455507;MM455507;C=NNC1CC1(F)C#N;QXFNCPTUGAHHQP-UHFFFAOYSA-N;127.12;0.2;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNa_P2";;;;;;;-0.24;;-3.24;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM455508;MM455508;N#CCC=CC#CC=CF;DSTNVUGUOIJVGA-UHFFFAOYSA-N;135.14;1.94;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_N0";;;;;;;1.94;;0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM455509;MM455509;CN=C(NC)NNC1CC1;LYTOFXRYBOPMCL-UHFFFAOYSA-N;142.21;-0.55;;;;;DOPC;MDCG;27;1;"MARTINI bead: P2_SP1";;;;;;;-1.06;;-8.25;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM455510;MM455510;C=CCC=CC#CC=NN;NAKBMZLVGAJGMM-UHFFFAOYSA-N;134.18;1.07;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_C2";;;;;;;2;;0.3;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM455511;MM455511;CC=C(CC)COC1CC1;AFRSILFTVFKGJP-UHFFFAOYSA-N;140.23;2.52;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1_SP1";;;;;;;2.08;;0.48;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM455512;MM455512;C=CCC=CC#CC=NO;RJVDLTANYNXBHQ-UHFFFAOYSA-N;135.17;1.58;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_C2";;;;;;;2;;0.3;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM455513;MM455513;CCC(=CF)COC1CC1;OTCBPWMVYGWHNO-UHFFFAOYSA-N;144.19;2.43;;;;;DOPC;MDCG;27;0;"MARTINI bead: C2_SP1";;;;;;;2;;0.29;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM455514;MM455514;CC=CC#CC=CNC=N;GWRCCCPUMMBTOX-UHFFFAOYSA-N;134.18;1.28;;;;;DOPC;MDCG;27;1;"MARTINI bead: C1_P3";;;;;;;0.94;;-3.11;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM455515;MM455515;CC=C(CN)COC1CC1;FJMINTNNQFZSQC-UHFFFAOYSA-N;141.21;1.07;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_SP1";;;;;;;0.04;;-4.81;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM455516;MM455516;N=CNC=CC#CC=CF;KEJOOTVOLCIIOQ-UHFFFAOYSA-N;138.15;1.18;;;;;DOPC;MDCG;27;1;"MARTINI bead: C5_P2";;;;;;;0.54;;-4.49;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM455517;MM455517;CC=C(CO)COC1CC1;TVLKLCNNEKJCAV-UHFFFAOYSA-N;142.2;1.1;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_SP1";;;;;;;0.81;;-0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM455518;MM455518;CC=CC#CC=CNC=O;FGNXZZHUQGBDOU-UHFFFAOYSA-N;135.17;0.83;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1_P3";;;;;;;0.94;;0.03;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM455519;MM455519;CC=C(COC1CC1)OC;CKOVBAXXZIZJRA-UHFFFAOYSA-N;142.2;1.72;;;;;DOPC;MDCG;27;0;"MARTINI bead: C3_SP1";;;;;;;1.74;;0.29;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM455520;MM455520;O=CNC=CC#CC=CF;UZOYZNKGVAXEIC-UHFFFAOYSA-N;139.13;0.73;;;;;DOPC;MDCG;27;0;"MARTINI bead: C3_P3";;;;;;;0.6;;-0.8;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM455521;MM455521;CC1=CC(=O)CCN1C;TTYWSYZQUNAJIB-UHFFFAOYSA-N;125.17;0.79;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC5_SP2";;;;;;;0.54;;-1.09;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM455522;MM455522;C=COC=CC#CC=CC;KAGJAJOBRCNPGT-UHFFFAOYSA-N;134.18;2.24;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4_C5";;;;;;;2.97;;0.45;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM455523;MM455523;CN=C(NC)NOC1CC1;YIBIADOKCLTVRF-UHFFFAOYSA-N;143.19;-0.12;;;;;DOPC;MDCG;27;1;"MARTINI bead: P2_SP1";;;;;;;-1.06;;-7;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM455524;MM455524;CC=CC#CC=COC=O;LOIGRIOIGNPMSR-UHFFFAOYSA-N;136.15;1.25;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1_P1";;;;;;;2.08;;0.48;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM455525;MM455525;CNC(=NN)NOC1CC1;IXWPKQOLFMVQIF-UHFFFAOYSA-N;144.18;-0.88;;;;;DOPC;MDCG;27;1;"MARTINI bead: P3_SP1";;;;;;;-1.93;;-6.43;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM455526;MM455526;O=COC=CC#CC=CF;NRVJPYOHGKEJHD-UHFFFAOYSA-N;140.11;1.16;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_Na";;;;;;;1.64;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM455527;MM455527;CC=C(CN)CCC1CN1;BMGPYWAZZPKFAC-UHFFFAOYSA-N;140.23;0.64;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_SP1";;;;;;;0.04;;-4.88;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM455528;MM455528;C=COC=CC#CC=NN;CFBUKWDESORTDY-UHFFFAOYSA-N;136.15;0.61;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_C5";;;;;;;0.81;;-0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM455529;MM455529;NCC(=CF)CCC1CN1;MNEKLUCODRRDHW-UHFFFAOYSA-N;144.19;0.55;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1_SP1";;;;;;;-0.79;;-5.31;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM455530;MM455530;CC=CC#CC=NNC=O;SGQNLBJIOKIZFI-UHFFFAOYSA-N;136.15;0.3;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4_P2";;;;;;;1.09;;-0.38;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM455531;MM455531;CN=C(CCC1CN1)NC;CHHJKXQJSMQCJZ-UHFFFAOYSA-N;141.22;-0.01;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_SP1";;;;;;;0.04;;-7.32;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM455532;MM455532;O=CNN=CC#CC=CF;XYYNEUAZFHJNMR-UHFFFAOYSA-N;140.12;0.2;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4_P1";;;;;;;1.37;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM455533;MM455533;CN=C(CCC1CN1)NN;GYADLEGJZOTFEE-UHFFFAOYSA-N;142.21;-0.77;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_SP1";;;;;;;0.04;;-5.72;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM455534;MM455534;CC=CC#CC=NOC=O;ZTIWKMSLOONQJF-UHFFFAOYSA-N;137.14;0.72;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4_P1";;;;;;;1.37;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM455535;MM455535;CN=C(CCC1CN1)NO;ANCUUQPEPMHKKD-UHFFFAOYSA-N;143.19;-0.25;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nda_SP1";;;;;;;0.04;;-4.62;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM455536;MM455536;O=CON=CC#CC=CF;ZHEGIAWPZWNXBJ-UHFFFAOYSA-N;141.1;0.63;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_P1";;;;;;;0.81;;-0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM455537;MM455537;NN=C(CCC1CN1)NN;FSQQQSBJJNYXCK-UHFFFAOYSA-N;143.19;-1.53;;;;;DOPC;MDCG;27;1;"MARTINI bead: P3_SP1";;;;;;;-1.93;;-5.74;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM455538;MM455538;C#CCC=CC#CC=CC;UKOCSHBYWHPCDE-UHFFFAOYSA-N;130.19;2.15;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1_N0";;;;;;;3.21;;0.46;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM455539;MM455539;CCC(=NCC1CN1)NC;OSEZYYGKWSEQTG-UHFFFAOYSA-N;141.22;-0.01;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_SP1";;;;;;;0.04;;-6.78;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM455540;MM455540;C#CCC=CC#CC=CF;HXALUQQXTUEGMT-UHFFFAOYSA-N;134.15;2.05;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_C5";;;;;;;2.41;;0.64;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM455541;MM455541;CN=C(NC)OCC1CN1;NDMBCEGAJXSEML-UHFFFAOYSA-N;143.19;-0.82;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1_SP1";;;;;;;-0.79;;-4.54;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM455542;MM455542;CC#CC#CC=CCCC;OOBRAEQHQLTLRZ-UHFFFAOYSA-N;132.21;2.37;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1_C4";;;;;;;4.24;;0.42;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM455543;MM455543;CC=C(CN)CCC1CO1;IKHWUOLUJJPFSC-UHFFFAOYSA-N;141.21;1.07;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_SNa";;;;;;;0.87;;-4.13;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM455544;MM455544;CC#CC#CC=CCCN;CKAXAAAFXUDUEU-UHFFFAOYSA-N;133.19;0.92;;;;;DOPC;MDCG;27;1;"MARTINI bead: C1_Nd";;;;;;;2.91;;-0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM455545;MM455545;NCC(=CF)CCC1CO1;RKGWHFDNITUHNG-UHFFFAOYSA-N;145.18;0.98;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1_SNa";;;;;;;0.04;;-4.7;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM455546;MM455546;CC#CC#CC=CCCO;CMBQDVKLKGKFFL-UHFFFAOYSA-N;134.18;0.95;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1_Nda";;;;;;;2.91;;0.57;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM455547;MM455547;C#CC(C#N)=CNN=C;GCQWRHUIIJZZRA-UHFFFAOYSA-N;119.13;0.23;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_N0";;;;;;;0.34;;-1.53;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM455548;MM455548;CC#CC#CC=CCCF;DWZPWBIBDHFWCA-UHFFFAOYSA-N;136.17;1.93;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1_C4";;;;;;;4.24;;0.42;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM455549;MM455549;CC#CC#CC=CCNC;FFYAJWYAFZVYNY-UHFFFAOYSA-N;133.19;0.79;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_C4";;;;;;;2.2;;-1.62;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM455550;MM455550;CCC(CCC1CO1)=NO;FWBPIIPYWDGCBZ-UHFFFAOYSA-N;143.19;1.41;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda_SNa";;;;;;;0.87;;-1.99;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM455551;MM455551;CC#CC#CC=CCOC;CBHAQKZWWCFYRX-UHFFFAOYSA-N;134.18;1.22;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_C1";;;;;;;2.91;;0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM455552;MM455552;NCC(CCC1CO1)=NO;ZAVDGJLPCRKHJD-UHFFFAOYSA-N;144.17;-0.05;;;;;DOPC;MDCG;27;1;"MARTINI bead: P2_SNa";;;;;;;-0.24;;-5.87;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM455553;MM455553;CC#CC#CC=COCC;CURFSTDXOCONAN-UHFFFAOYSA-N;134.18;1.56;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_C1";;;;;;;2.91;;0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM455554;MM455554;CN=C(CCC1CO1)NC;IOSZDBAEAOAKEQ-UHFFFAOYSA-N;142.2;0.41;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_SNa";;;;;;;0.87;;-6.61;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM455555;MM455555;CC#CC#CC=NNCC;PDIJUDAIYHCJJR-UHFFFAOYSA-N;134.18;0.61;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_C1";;;;;;;2.08;;0.48;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM455556;MM455556;CC=C(CC)OCC1CO1;WUFAQGMGZWKIMD-UHFFFAOYSA-N;142.2;1.72;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4_SNa";;;;;;;2.2;;0.34;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM455557;MM455557;CC#CC#CC=NOCC;RNFMRQZVTKNNDH-UHFFFAOYSA-N;135.17;1.04;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_C1";;;;;;;2.08;;0.48;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM455558;MM455558;CC=C(CN)CCN1CC1;VANUIPUNGWXKNQ-UHFFFAOYSA-N;140.23;0.6;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_SP1";;;;;;;0.04;;-4.87;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM455559;MM455559;C=CCC=CC#CC#CC;RSIGLVFNNVGBQV-UHFFFAOYSA-N;130.19;2.15;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1_C3";;;;;;;4.61;;0.31;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM455560;MM455560;CCC1(OC)C=NNC1;QXKZGWYEHKBPRW-UHFFFAOYSA-N;128.18;0.37;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNa_SP1";;;;;;;0.04;;-2.54;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM455561;MM455561;CC#CC#CC=CCC=O;NNKUTPMNSQJGDR-UHFFFAOYSA-N;132.16;1.16;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1_Na";;;;;;;2.91;;0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM455562;MM455562;CCC(CCN1CC1)=NN;ZLDQYTGTGBWZBS-UHFFFAOYSA-N;141.22;0.42;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_SP1";;;;;;;0.81;;-0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM455563;MM455563;CC#CC#CC=CCC#N;FWRQJARWRIVEJA-UHFFFAOYSA-N;129.16;1.48;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1_P1";;;;;;;2.08;;0.48;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM455564;MM455564;C#CC1CC(C=C)=NN1;HENSYBDYCXGZEJ-UHFFFAOYSA-N;120.16;0.52;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP1_SP1";;;;;;;-0.79;;-3.13;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM455565;MM455565;CC#CC#CC=CNC=N;XYFNCKHVMWJSEF-UHFFFAOYSA-N;132.17;0.72;;;;;DOPC;MDCG;27;1;"MARTINI bead: C1_P3";;;;;;;0.94;;-3.09;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM455566;MM455566;NCC(CCN1CC1)=NO;HVFXUBKCTBXGQH-UHFFFAOYSA-N;143.19;-0.52;;;;;DOPC;MDCG;27;1;"MARTINI bead: P2_SP1";;;;;;;-1.06;;-6.48;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM455567;MM455567;CC#CC#CC=CNC=O;VTSGARHEBSCQCO-UHFFFAOYSA-N;133.15;0.27;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1_P3";;;;;;;0.94;;0.03;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM455568;MM455568;CC=NNCCCC#N;PWCOKQDEQSYRSP-UHFFFAOYSA-N;125.18;0.89;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nd_N0";;;;;;;1.17;;-1.04;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM455569;MM455569;C=COC=CC#CC#CC;QXHKIICSJVGGIM-UHFFFAOYSA-N;132.16;1.69;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1_Na";;;;;;;2.91;;0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM455570;MM455570;CN=C(CCN1CC1)NC;QCXNXZSAPFNCRO-UHFFFAOYSA-N;141.22;-0.06;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_SP1";;;;;;;0.04;;-7.09;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM455571;MM455571;CC#CC#CC=COC=O;XWPIEAUOGHMYGZ-UHFFFAOYSA-N;134.13;0.7;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1_P1";;;;;;;2.08;;0.48;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM455572;MM455572;CN=C(CCN1CC1)NN;JRVVUZMWULXIDY-UHFFFAOYSA-N;142.21;-0.82;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_SP1";;;;;;;0.04;;-5.45;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM455573;MM455573;C=C(C)C(C)(C)C(C)(C)O;HFFXXCXFPKBQAK-UHFFFAOYSA-N;142.24;2.36;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1_Nda";;;;;;;2.91;;0.57;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM455574;MM455574;CC#CC#CC=NNC=O;COKLCJVNJALFBL-UHFFFAOYSA-N;134.14;-0.26;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4_P2";;;;;;;1.09;;-0.38;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM455575;MM455575;C=CC(=CC)CCC1CC1;CTZUKFKMLWMRFT-UHFFFAOYSA-N;136.24;3.31;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1_SC5";;;;;;;3.68;;0.46;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM455576;MM455576;CC#CC#CC=NOC=O;CXCHUPNUDJTZCW-UHFFFAOYSA-N;135.12;0.17;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4_P1";;;;;;;1.37;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM455577;MM455577;CC=C(C=O)CCC1CC1;PWHCKCAVTKZFOM-UHFFFAOYSA-N;138.21;2.32;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_SC5";;;;;;;1.64;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM455578;MM455578;C#CCC=CC#CC#CC;JTIIHFQAVCEDTJ-UHFFFAOYSA-N;128.17;1.59;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1_C5";;;;;;;3.68;;0.46;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM455579;MM455579;CC=C(C#N)CCC1CC1;VREWGUGNNHTNMP-UHFFFAOYSA-N;135.21;2.65;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_SC5";;;;;;;2.41;;0.64;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM455580;MM455580;CC=CC=CC#CCCN;UIZQXSCFVQMLKP-UHFFFAOYSA-N;135.21;1.47;;;;;DOPC;MDCG;27;1;"MARTINI bead: C1_Nd";;;;;;;2.91;;-0.21;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM455581;MM455581;NC=C(C=O)CCC1CC1;ACFZRUVEMQTVTP-UHFFFAOYSA-N;139.2;1.22;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_SC5";;;;;;;0.81;;-0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM455582;MM455582;CC=CC=CC#CCCO;FQCRZSMQOVHLPL-UHFFFAOYSA-N;136.19;1.5;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1_Nda";;;;;;;2.91;;0.57;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM455583;MM455583;N#CC(=CN)CCC1CC1;NABUGRNFSPBGBX-UHFFFAOYSA-N;136.2;1.54;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_SC5";;;;;;;0.81;;-0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM455584;MM455584;CC=CC=CC#CCCF;ANHVFZBZXZCTGP-UHFFFAOYSA-N;138.19;2.48;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1_Na";;;;;;;2.91;;0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM455585;MM455585;O=CC(=CF)CCC1CC1;MPLMMSXTDMZDOQ-UHFFFAOYSA-N;142.17;2.23;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_SC5";;;;;;;1.64;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM455586;MM455586;CCCC#CC=CC=CF;SBZXDVFAIGFPJQ-UHFFFAOYSA-N;138.19;2.83;;;;;DOPC;MDCG;27;0;"MARTINI bead: C3_C4";;;;;;;3.9;;0.47;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM455587;MM455587;N#CC(=CF)CCC1CC1;DMMLIAFSKLQPKV-UHFFFAOYSA-N;139.17;2.55;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_SC5";;;;;;;1.64;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM455588;MM455588;CC=CC=CC#CCNC;UTEPTGISCVFLSZ-UHFFFAOYSA-N;135.21;1.34;;;;;DOPC;MDCG;27;1;"MARTINI bead: P2_C1";;;;;;;1.8;;-0.56;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM455589;MM455589;C=CC(CCC1CC1)=NN;MTIBMQWPZJHCGQ-UHFFFAOYSA-N;138.21;1.68;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_SC5";;;;;;;2.41;;0.64;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM455590;MM455590;CNCC#CC=CC=CF;MECHVACOAXZPBD-UHFFFAOYSA-N;139.17;1.25;;;;;DOPC;MDCG;27;1;"MARTINI bead: P2_C4";;;;;;;1.09;;-1.98;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM455591;MM455591;O=CC(CCC1CC1)=NO;SPSWUGCXAKHRCZ-UHFFFAOYSA-N;141.17;1.21;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_SC5";;;;;;;0.81;;-0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM455592;MM455592;CCCC#CC=CC=NO;LVIKJHKYBICXOO-UHFFFAOYSA-N;137.18;1.81;;;;;DOPC;MDCG;27;0;"MARTINI bead: C3_Nda";;;;;;;2.57;;0.44;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM455593;MM455593;C=CC(=NC)NCC1CC1;FPGRSIICQFWJNC-UHFFFAOYSA-N;138.21;1.2;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_SC5";;;;;;;1.64;;-4.1;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM455594;MM455594;CC=NN=CC#CCCC;IXLVMTLZRQNXKB-UHFFFAOYSA-N;136.2;1.87;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1_P1";;;;;;;2.08;;0.48;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM455595;MM455595;C=C(C)CC(O)(CC)CC;BWTUNIXPCVKVLO-UHFFFAOYSA-N;142.24;2.5;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_C4";;;;;;;2.97;;0.45;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM455596;MM455596;CC=NN=CC#CCCN;HEKVWTMGFSIOQT-UHFFFAOYSA-N;137.19;0.42;;;;;DOPC;MDCG;27;1;"MARTINI bead: C5_Nd";;;;;;;1.64;;-2.27;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM455597;MM455597;CN=C(C#N)NCC1CC1;LFQGVWFLUABRNO-UHFFFAOYSA-N;137.19;0.54;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_SC5";;;;;;;0.54;;-1.09;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM455598;MM455598;CC=NN=CC#CCCO;DFCAHHSDZBIXLI-UHFFFAOYSA-N;138.17;0.45;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_Nda";;;;;;;1.64;;0.05;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM455599;MM455599;O=CC(=NO)NCC1CC1;IWZIBGKWWAGAAC-UHFFFAOYSA-N;142.16;-0.03;;;;;DOPC;MDCG;27;0;"MARTINI bead: P3_SC5";;;;;;;-0.33;;-2.01;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM455600;MM455600;CC=NN=CC#CCCF;LSXXCWZHSFAMHE-UHFFFAOYSA-N;140.16;1.43;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_Na";;;;;;;1.64;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM455601;MM455601;C=CC(=CC)OCC1CC1;HXJKWSSHIRJJPN-UHFFFAOYSA-N;138.21;2.5;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_SC5";;;;;;;2.41;;0.64;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM455602;MM455602;CC=NN=CC#CCNC;HKMCYRWYRNYITD-UHFFFAOYSA-N;137.19;0.29;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1_C4";;;;;;;1.37;;-1.45;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM455603;MM455603;C=CC(=CF)OCC1CC1;WGXBNLCWAUWTAO-UHFFFAOYSA-N;142.17;2.41;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_SC5";;;;;;;1.64;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM455604;MM455604;CC=NN=CC#CCOC;WDDVDSXMIKAMID-UHFFFAOYSA-N;138.17;0.71;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_C5";;;;;;;1.64;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM455605;MM455605;CC=C(C=O)OCC1CC1;RDNBYDOONHZREU-UHFFFAOYSA-N;140.18;1.52;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_SC5";;;;;;;0.81;;-0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM455606;MM455606;C=CCC#CC=CC=CC;KADSNCXQZFLCPM-UHFFFAOYSA-N;132.21;2.7;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1_C5";;;;;;;3.68;;0.46;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM455607;MM455607;CC=C(C#N)OCC1CC1;DRQKCOPHTXCZGU-UHFFFAOYSA-N;137.18;1.84;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_SC5";;;;;;;1.64;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM455608;MM455608;CC=CC=CC#CCC=O;AZQKEBBKXLPUQQ-UHFFFAOYSA-N;134.18;1.71;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1_Na";;;;;;;2.91;;0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM455609;MM455609;N#CC(=CN)OCC1CC1;YARXYQUNWAVFQS-UHFFFAOYSA-N;138.17;0.74;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_SC5";;;;;;;0.54;;-1.09;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM455610;MM455610;CC=CC=CC#CCC#N;KIQYQPCYBIAQHK-UHFFFAOYSA-N;131.18;2.04;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1_N0";;;;;;;3.21;;0.46;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM455611;MM455611;N#CC(=CF)OCC1CC1;OOKCNXSCQWVSMS-UHFFFAOYSA-N;141.15;1.75;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_SC5";;;;;;;1.64;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM455612;MM455612;C=CCC#CC=CC=CF;LPLNIRJQSXZJKQ-UHFFFAOYSA-N;136.17;2.61;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4_C3";;;;;;;3.9;;0.47;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM455613;MM455613;C=CC(=NO)OCC1CC1;LOAWQNLDGLTPET-UHFFFAOYSA-N;141.17;1.39;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda_SC5";;;;;;;1.64;;0.05;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM455614;MM455614;O=CCC#CC=CC=NO;OWWOPEUSEGPOIB-UHFFFAOYSA-N;137.14;0.6;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda_Na";;;;;;;0.87;;-1.99;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM455615;MM455615;C=CC(=CC)CNC1CC1;VJIMHQABVZLZDG-UHFFFAOYSA-N;137.23;1.87;;;;;DOPC;MDCG;27;1;"MARTINI bead: C1_SP1";;;;;;;2.08;;-0.51;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM455616;MM455616;C=CCC#CC=NN=CC;DCZQYOUFNMCOAU-UHFFFAOYSA-N;134.18;1.64;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_C3";;;;;;;1.74;;0.29;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM455617;MM455617;C=CC(=CF)CNC1CC1;KZAYIGQSGUNMRS-UHFFFAOYSA-N;141.19;1.78;;;;;DOPC;MDCG;27;1;"MARTINI bead: C2_SP1";;;;;;;2;;-0.32;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM455618;MM455618;CC=NN=CC#CCC=O;BACZPTVFPRCYQQ-UHFFFAOYSA-N;136.15;0.66;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_Na";;;;;;;1.64;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM455619;MM455619;CC=C(C=O)CNC1CC1;WVWQDMIYYUQBPZ-UHFFFAOYSA-N;139.2;0.88;;;;;DOPC;MDCG;27;1;"MARTINI bead: Na_SP1";;;;;;;0.04;;-4;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM455620;MM455620;CC=NN=CC#CCC#N;MTBHCZLXMPBRAM-UHFFFAOYSA-N;133.15;0.98;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_N0";;;;;;;1.94;;0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM455621;MM455621;NC=C(C=O)CNC1CC1;ZNRWXQLOIYJSJQ-UHFFFAOYSA-N;140.19;-0.22;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1_SP1";;;;;;;-0.79;;-4.23;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM455622;MM455622;C#CCC#CC=CC=CC;CZEVJQGQMQOTQB-UHFFFAOYSA-N;130.19;2.15;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1_N0";;;;;;;3.21;;0.46;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM455623;MM455623;C=CC(=NC)NNC1CC1;FURIKSSKWXAVTF-UHFFFAOYSA-N;139.2;0.46;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_SP1";;;;;;;0.04;;-5.43;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM455624;MM455624;C#CCC#CC=CC=CF;XYFXQAYFGKHZIN-UHFFFAOYSA-N;134.15;2.05;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4_C3";;;;;;;3.9;;0.47;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM455625;MM455625;C#CC#CC(C)(C)NN=C;NKWVAKVWUDCJDZ-UHFFFAOYSA-N;134.18;0.61;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nd_N0";;;;;;;1.17;;-1.04;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM455626;MM455626;C#CCC#CC=CC=NN;FZXOFCXPTREPMB-UHFFFAOYSA-N;132.17;0.51;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nd_C3";;;;;;;2.57;;0.53;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM455627;MM455627;C#CCC#CC(F)C=NN;KHRBUGRPDRXMBK-UHFFFAOYSA-N;138.15;0.3;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_C4";;;;;;;1.37;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM455628;MM455628;C#CCC#CC=CC=NO;KSKAVBJIWFMUDU-UHFFFAOYSA-N;133.15;1.03;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_C3";;;;;;;1.74;;0.29;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM455629;MM455629;C=CC(=CC)COC1CC1;ZTODAKGMBUJLSU-UHFFFAOYSA-N;138.21;2.3;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1_SP1";;;;;;;2.08;;0.48;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM455630;MM455630;C#CCC#CC=NN=CC;QZYXVEWLOFLOQW-UHFFFAOYSA-N;132.17;1.09;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_C3";;;;;;;1.74;;0.29;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM455631;MM455631;CC=C(C#N)COC1CC1;YVOYJSGHLQJKMZ-UHFFFAOYSA-N;137.18;1.64;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_SP1";;;;;;;0.81;;-0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM455632;MM455632;CC=CC#CC=CC=CC;OYDJEUHZMPSOTF-UHFFFAOYSA-N;132.21;2.7;;;;;DOPC;MDCG;27;0;"MARTINI bead: C2_C1";;;;;;;4.87;;0.53;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM455633;MM455633;N#CC(=CN)COC1CC1;FAONDVQWBPHUDN-UHFFFAOYSA-N;138.17;0.53;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_SP1";;;;;;;-0.79;;-3.13;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM455634;MM455634;CC=CC=CC#CC=CF;AURSVBYQCSBVFV-UHFFFAOYSA-N;136.17;2.61;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1_C4";;;;;;;4.24;;0.42;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM455635;MM455635;N#CCC(=NO)C(F)(F)F;JELBQORUAORHTJ-UHFFFAOYSA-N;152.08;1.29;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_C5";;;;;;;0.81;;-6.28;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM455636;MM455636;CC=CC#CC=CC=CF;DFDAOVVFILKOIG-UHFFFAOYSA-N;136.17;2.61;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1_C4";;;;;;;4.24;;0.42;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM455637;MM455637;C=CC(=NO)NOC1CC1;LWIUGFKZTQLNSD-UHFFFAOYSA-N;142.16;0.64;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_SP1";;;;;;;-0.79;;-3.13;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM455638;MM455638;CC=CC=CC#CC=NO;DLGYKCSPSJVNIY-UHFFFAOYSA-N;135.17;1.58;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1_P1";;;;;;;2.08;;0.48;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM455639;MM455639;C=CC(=O)CCN(C)N=C;CMJGNMXPPBWMNS-UHFFFAOYSA-N;140.19;0.68;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_Na";;;;;;;0.04;;-2.54;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM455640;MM455640;NN=CC#CC=CC=CF;UMVIZYHAWOAXOT-UHFFFAOYSA-N;138.15;0.97;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_C4";;;;;;;1.37;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM455641;MM455641;O=CC(=NO)NOC1CC1;ZTKNWTUGTWLJGH-UHFFFAOYSA-N;144.13;-0.34;;;;;DOPC;MDCG;27;0;"MARTINI bead: P3_SP1";;;;;;;-1.93;;-4.72;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM455642;MM455642;CC=CC#CC=CC=NN;VXYHHPGDZGYMPV-UHFFFAOYSA-N;134.18;1.07;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4_Nd";;;;;;;2.2;;0.32;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM455643;MM455643;C=CC(=NN)NCC1CN1;DIWVLIJUPSINKW-UHFFFAOYSA-N;140.19;-0.99;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1_SP1";;;;;;;-0.79;;-4.79;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM455644;MM455644;CC=CC#CC=CC=NO;PTOJQVFMYTWHKN-UHFFFAOYSA-N;135.17;1.58;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1_P1";;;;;;;2.08;;0.48;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM455645;MM455645;C=CC(=CC)CCC1CO1;UMWOKLRQLQHOAJ-UHFFFAOYSA-N;138.21;2.3;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1_SNa";;;;;;;2.91;;0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM455646;MM455646;NN=CC#CC=CC=NO;ORAWKKXFRCICQM-UHFFFAOYSA-N;137.14;-0.05;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nd_Nda";;;;;;;0.87;;-1.92;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM455647;MM455647;CC=C(C=O)CCC1CO1;DNLKRTDZNPFXTP-UHFFFAOYSA-N;140.18;1.31;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_SNa";;;;;;;0.87;;-2.22;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM455648;MM455648;CC=CC#CC=NN=CC;CXMVFCWEZUDXBV-UHFFFAOYSA-N;134.18;1.64;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4_C5";;;;;;;2.97;;0.45;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM455649;MM455649;CC=C(C#N)CCC1CO1;BKYQFEMOQOZNHB-UHFFFAOYSA-N;137.18;1.64;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_SNa";;;;;;;1.64;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM455650;MM455650;CC=NN=CC#CC=NN;AMOWWLHICIWRPK-UHFFFAOYSA-N;136.16;0.01;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4_P1";;;;;;;1.37;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM455651;MM455651;N#CC(=CN)CCC1CO1;WOSMBEDAAFJZCR-UHFFFAOYSA-N;138.17;0.53;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_SNa";;;;;;;0.04;;-2.54;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM455652;MM455652;CC=NN=CC#CC=NO;OQPCXQDAUNHQNN-UHFFFAOYSA-N;137.14;0.53;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4_P1";;;;;;;1.37;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM455653;MM455653;O=CC(=CF)CCC1CO1;OKHNTFULJURPCV-UHFFFAOYSA-N;144.15;1.22;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_SNa";;;;;;;0.87;;-2.22;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM455654;MM455654;CC#CC#CC=CC=CC;OYSYEXTWIUUSCD-UHFFFAOYSA-N;130.19;2.15;;;;;DOPC;MDCG;27;0;"MARTINI bead: C2_C1";;;;;;;4.87;;0.53;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM455655;MM455655;N#CC(=CF)CCC1CO1;DOXXMVGSUAWELS-UHFFFAOYSA-N;141.15;1.54;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_SNa";;;;;;;0.87;;-2.22;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM455656;MM455656;CC#CC#CC=CC=CF;WKGMCMGKXCDWGA-UHFFFAOYSA-N;134.15;2.05;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1_C4";;;;;;;4.24;;0.42;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM455657;MM455657;C=CC(CCC1CO1)=NN;SPLSNALCUNBQHI-UHFFFAOYSA-N;140.19;0.67;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_SNa";;;;;;;1.64;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM455658;MM455658;CC#CC#CC=CC=NN;NWFTWMKJJOITRH-UHFFFAOYSA-N;132.17;0.51;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1_Nd";;;;;;;2.91;;0.63;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM455659;MM455659;OCC(=NO)C(F)(F)F;WMMUHOMBLBYZBC-UHFFFAOYSA-N;143.06;0.37;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_N0";;;;;;;0.06;;-7.43;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM455660;MM455660;CC#CC#CC=CC=NO;WORRUUDTBNTZNJ-UHFFFAOYSA-N;133.15;1.03;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1_P1";;;;;;;2.08;;0.48;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM455661;MM455661;C=CC(=NC)NCC1CO1;GLQNDTHIFGZHKZ-UHFFFAOYSA-N;140.19;0.19;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_SNa";;;;;;;0.87;;-5.49;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM455662;MM455662;CC#CC#CC=NN=CC;OJXGGGNMTXFTBH-UHFFFAOYSA-N;132.17;1.09;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_C1";;;;;;;2.08;;0.48;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM455663;MM455663;C=CC(=NN)NCC1CO1;YVVUIDLECNQSGR-UHFFFAOYSA-N;141.17;-0.57;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1_SNa";;;;;;;0.04;;-3.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM455664;MM455664;CC#CC=CC#CCCC;MCZXKWKINWEVSU-UHFFFAOYSA-N;132.21;2.37;;;;;DOPC;MDCG;27;0;"MARTINI bead: C3_C4";;;;;;;3.9;;0.47;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM455665;MM455665;C#CC1(C)CC(NN)=NO1;NMLMVSAMILSMGI-UHFFFAOYSA-N;139.16;-0.42;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNa_SP2";;;;;;;-0.24;;-3.24;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM455666;MM455666;CN=C(C#N)NCC1CO1;URFXNCMDXYKBLN-UHFFFAOYSA-N;139.16;-0.47;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_SNa";;;;;;;-0.24;;-3.24;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM455667;MM455667;CC#CC=CC#CCCN;JFDRFXGLSJIQFP-UHFFFAOYSA-N;133.19;0.92;;;;;DOPC;MDCG;27;1;"MARTINI bead: C4_Nd";;;;;;;2.2;;-1.83;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM455668;MM455668;C=CC(=CC)OCC1CO1;YHNHVVZKKVKHCM-UHFFFAOYSA-N;140.18;1.49;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_SNa";;;;;;;1.64;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM455669;MM455669;C=CCC#CC=CC#CC;KHZZFXKBHWIKEK-UHFFFAOYSA-N;130.19;2.15;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4_C5";;;;;;;2.97;;0.45;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM455670;MM455670;CC#CC=CC#CCC=O;SEVYFHJABSAUPA-UHFFFAOYSA-N;132.16;1.16;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4_Na";;;;;;;2.2;;0.34;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM455671;MM455671;CC=C(C=O)OCC1CO1;YMZHDHZOQBTYBM-UHFFFAOYSA-N;142.15;0.5;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_SNa";;;;;;;0.04;;-2.54;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM455672;MM455672;CC#CC=CC#CCC#N;ZSACUBLDOSLPNQ-UHFFFAOYSA-N;129.16;1.48;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4_N0";;;;;;;2.5;;0.44;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM455673;MM455673;CC=C(C#N)OCC1CO1;IMUGKWNSMUIGOQ-UHFFFAOYSA-N;139.15;0.83;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_SNa";;;;;;;0.87;;-2.22;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM455674;MM455674;C#CCC#CC=CC#CC;LVRTYYOTIPOTTH-UHFFFAOYSA-N;128.17;1.59;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4_N0";;;;;;;2.5;;0.44;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM455675;MM455675;N#CC(=CN)OCC1CO1;KPBISQYSBXWFNI-UHFFFAOYSA-N;140.14;-0.27;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_SNa";;;;;;;-0.24;;-3.24;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM455676;MM455676;CC#CC=CC#CC=CC;DNFFLDACZDRVIA-UHFFFAOYSA-N;130.19;2.15;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4_C4";;;;;;;3.53;;0.53;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM455677;MM455677;N#CC(=CF)OCC1CO1;IJWKBJNCZMNBPU-UHFFFAOYSA-N;143.12;0.74;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_SNa";;;;;;;0.87;;-2.22;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM455678;MM455678;CC#CC=CC#CC=NN;YYUFETMAWZUOQA-UHFFFAOYSA-N;132.17;0.51;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4_P1";;;;;;;1.37;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM455679;MM455679;CCN(C=N)N=CC(C)F;XXKPMSLYFRGRCL-UHFFFAOYSA-N;145.18;1.26;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_C5";;;;;;;0.54;;-1.09;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM455680;MM455680;CC#CC#CC=CC#CC;GKQSAKWHBUEWKH-UHFFFAOYSA-N;128.17;1.59;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4_C1";;;;;;;4.24;;0.42;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM455681;MM455681;C=CC(=NO)OCC1CO1;DFTBABKCLDBYQJ-UHFFFAOYSA-N;143.14;0.38;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda_SNa";;;;;;;0.87;;-1.99;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM455682;MM455682;CCCC#CC#CCCC;LIWZSNTUMSGWTF-UHFFFAOYSA-N;134.22;2.59;;;;;DOPC;MDCG;27;0;"MARTINI bead: C3_C3";;;;;;;4.27;;0.2;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM455683;MM455683;CC=C(C=O)CCN1CC1;INLWXOAYBVNUKT-UHFFFAOYSA-N;139.2;0.84;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_SP1";;;;;;;0.04;;-2.54;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM455684;MM455684;CC=C(C#N)CCN1CC1;DRENAMMLIKVSBU-UHFFFAOYSA-N;136.2;1.16;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_SP1";;;;;;;0.81;;-0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM455685;MM455685;CCCC#CC#CCCN;LJJILRXHLIVBAX-UHFFFAOYSA-N;135.21;1.14;;;;;DOPC;MDCG;27;1;"MARTINI bead: C3_Nd";;;;;;;2.57;;-1.07;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM455686;MM455686;CCCC#CC#CCCO;AGEWSDVASWHFHB-UHFFFAOYSA-N;136.19;1.18;;;;;DOPC;MDCG;27;0;"MARTINI bead: C3_Nda";;;;;;;2.57;;0.44;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM455687;MM455687;NC=C(C=O)CCN1CC1;QVEYGCVFRQCEEA-UHFFFAOYSA-N;140.19;-0.27;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_SP1";;;;;;;-0.79;;-3.13;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM455688;MM455688;N#CC(=CN)CCN1CC1;OLGGDWQSIIDCOV-UHFFFAOYSA-N;137.19;0.06;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_SP1";;;;;;;-0.79;;-3.13;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM455689;MM455689;CCCC#CC#CCCF;ZAFDZSKXFNGECK-UHFFFAOYSA-N;138.19;2.15;;;;;DOPC;MDCG;27;0;"MARTINI bead: C3_Na";;;;;;;2.57;;0.45;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM455690;MM455690;O=CC(=CF)CCN1CC1;DTXAYYKFWWZOAP-UHFFFAOYSA-N;143.16;0.74;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_SP1";;;;;;;0.04;;-2.54;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM455691;MM455691;NCCC#CC#CCCN;UKTRTQHQWIHLJF-UHFFFAOYSA-N;136.2;-0.31;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_Nd";;;;;;;0.87;;-4.76;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM455692;MM455692;N#CC(=CF)CCN1CC1;AFPSVPVHSAUQRW-UHFFFAOYSA-N;140.16;1.07;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_SP1";;;;;;;0.04;;-2.54;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM455693;MM455693;NCCC#CC#CCCO;UAVCUCYMPJFUKC-UHFFFAOYSA-N;137.18;-0.28;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_Nda";;;;;;;0.87;;-4.26;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM455694;MM455694;C=CC(CCN1CC1)=NN;IXYWQNFVJUZGBU-UHFFFAOYSA-N;139.2;0.19;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_SP1";;;;;;;0.81;;-0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM455695;MM455695;NCCC#CC#CCCF;WJXZSTKBUDSHTH-UHFFFAOYSA-N;139.17;0.7;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_C4";;;;;;;2.2;;-1.77;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM455696;MM455696;CCC1(C#N)ONC(=N)O1;HXQTUHMFALLKMY-UHFFFAOYSA-N;141.13;0.1;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP1_SP2";;;;;;;-1.06;;-3.82;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM455697;MM455697;OCCC#CC#CCCF;OMYYKAMNEJSWEK-UHFFFAOYSA-N;140.16;0.74;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda_Na";;;;;;;0.87;;-1.99;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM455698;MM455698;C#CC(=CC)CCC1CC1;DNEIIFINTKIUEP-UHFFFAOYSA-N;134.22;2.76;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4_SC5";;;;;;;2.97;;0.45;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM455699;MM455699;CCCC#CC#CCNC;KEANJJHVIQQHLV-UHFFFAOYSA-N;135.21;1.01;;;;;DOPC;MDCG;27;1;"MARTINI bead: C3_P2";;;;;;;1.46;;-1.4;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM455700;MM455700;C#CC(=CF)CCC1CC1;QUVSBHUYCQYQSZ-UHFFFAOYSA-N;138.19;2.66;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_SC5";;;;;;;2.41;;0.64;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM455701;MM455701;CNCC#CC#CCCN;AYHNDYBTRHUYKV-UHFFFAOYSA-N;136.2;-0.44;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_Nd";;;;;;;0.87;;-4.51;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM455702;MM455702;C#CC(CCC1CC1)=NN;XDHGZFGFOYMWOX-UHFFFAOYSA-N;136.2;1.12;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nd_SC5";;;;;;;1.64;;0.02;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM455703;MM455703;CNCC#CC#CCCO;NVBCDLQVYFATCL-UHFFFAOYSA-N;137.18;-0.41;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_Nda";;;;;;;0.87;;-3.29;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM455704;MM455704;C#CC(CCC1CC1)=NO;WWLVGSVUNKWGAG-UHFFFAOYSA-N;137.18;1.64;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda_SC5";;;;;;;1.64;;0.05;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM455705;MM455705;CNCC#CC#CCCF;KPVRLTFAHJJHST-UHFFFAOYSA-N;139.17;0.57;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_C4";;;;;;;2.2;;-0.81;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM455706;MM455706;C#CC(=NC)NCC1CC1;NLUJKWZFPMHIBF-UHFFFAOYSA-N;136.2;0.65;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1_SC5";;;;;;;0.81;;-2.83;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM455707;MM455707;CCCC#CC#CCOC;KSUHVVVKMVTYMG-UHFFFAOYSA-N;136.19;1.44;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1_Na";;;;;;;2.91;;0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM455708;MM455708;C#CC(=CC)OCC1CC1;IPOIAVORIIZLBA-UHFFFAOYSA-N;136.19;1.95;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_SC5";;;;;;;1.64;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM455709;MM455709;COCC#CC#CCCN;UZYNXFNJWLKMEP-UHFFFAOYSA-N;137.18;-0.01;;;;;DOPC;MDCG;27;1;"MARTINI bead: Na_Nd";;;;;;;0.87;;-4.23;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM455710;MM455710;C#CC(=CF)OCC1CC1;GWQFFUFYJOFISE-UHFFFAOYSA-N;140.16;1.86;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_SC5";;;;;;;1.64;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM455711;MM455711;COCC#CC#CCCO;BRTRDJNIYMILAJ-UHFFFAOYSA-N;138.17;0.02;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_Nda";;;;;;;0.87;;-1.99;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM455712;MM455712;C#CC(=NO)OCC1CC1;UMARJOSCQIXTSD-UHFFFAOYSA-N;139.15;0.83;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_SC5";;;;;;;0.54;;-1.09;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM455713;MM455713;COCC#CC#CCCF;IJJRGFBHGNEBCK-UHFFFAOYSA-N;140.16;1;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_C4";;;;;;;2.2;;0.34;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM455714;MM455714;C#CC(=CC)CNC1CC1;VIBAPNWOOQWURW-UHFFFAOYSA-N;135.21;1.32;;;;;DOPC;MDCG;27;1;"MARTINI bead: C4_SP1";;;;;;;1.37;;-1.47;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM455715;MM455715;CNCC#CC#CCNC;AYSUGAJFRJWMDZ-UHFFFAOYSA-N;136.2;-0.57;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_Nd";;;;;;;0.87;;-3.77;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM455716;MM455716;C#CC(=CF)CNC1CC1;FREFVWWXWXKNRA-UHFFFAOYSA-N;139.17;1.23;;;;;DOPC;MDCG;27;1;"MARTINI bead: C5_SP1";;;;;;;0.81;;-1.53;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM455717;MM455717;CNCC#CC#CCOC;BUNKWWQMLKYTTO-UHFFFAOYSA-N;137.18;-0.14;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_Na";;;;;;;0.87;;-3.23;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM455718;MM455718;C=NN(C)C(=O)CCC#N;PGJWVFHHVJBBKR-UHFFFAOYSA-N;139.16;0.36;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_Na";;;;;;;-0.24;;-3.24;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM455719;MM455719;COCC#CC#CCOC;WAPCAIUCRKHCNY-UHFFFAOYSA-N;138.17;0.29;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_C5";;;;;;;1.64;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM455720;MM455720;C#CC(=CC)COC1CC1;QZFVZIBXTRZBOI-UHFFFAOYSA-N;136.19;1.74;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4_SP1";;;;;;;1.37;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM455721;MM455721;C=CCC#CC#CCCC;RDGHAKHEVSMLIU-UHFFFAOYSA-N;132.21;2.37;;;;;DOPC;MDCG;27;0;"MARTINI bead: C3_C5";;;;;;;3.34;;0.48;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM455722;MM455722;C#CC(=CF)COC1CC1;RRLCHCMMBGWEOE-UHFFFAOYSA-N;140.16;1.65;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_SP1";;;;;;;0.81;;-0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM455723;MM455723;CCCC#CC#CCC=O;XFXIQOXMEGMFNM-UHFFFAOYSA-N;134.18;1.38;;;;;DOPC;MDCG;27;0;"MARTINI bead: C3_Na";;;;;;;2.57;;0.45;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM455724;MM455724;C#CC(COC1CC1)=NN;GQKHKKUTWFYGDI-UHFFFAOYSA-N;138.17;0.11;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nd_SP1";;;;;;;0.04;;-2.63;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM455725;MM455725;CCCC#CC#CCC#N;WXGJBDKUPLCXIP-UHFFFAOYSA-N;131.18;1.71;;;;;DOPC;MDCG;27;0;"MARTINI bead: C3_N0";;;;;;;2.87;;0.37;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM455726;MM455726;C#CC(=NC)NCC1CN1;NNWDOASAOQSEAO-UHFFFAOYSA-N;137.19;-0.79;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1_SP1";;;;;;;-0.79;;-5.14;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM455727;MM455727;C=CCC#CC#CCCN;UHBKBNACUNXBHD-UHFFFAOYSA-N;133.19;0.92;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_C5";;;;;;;1.64;;-2.24;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM455728;MM455728;C#CC(=CC)CCC1CO1;DUXZTPKBHKJUGQ-UHFFFAOYSA-N;136.19;1.74;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4_SNa";;;;;;;2.2;;0.34;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM455729;MM455729;C=CCC#CC#CCCO;ITARIQWXJUPAHN-UHFFFAOYSA-N;134.18;0.95;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda_C5";;;;;;;1.64;;0.05;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM455730;MM455730;C#CC(=CF)CCC1CO1;QJAXOIQSOYWPAX-UHFFFAOYSA-N;140.16;1.65;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_SNa";;;;;;;1.64;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM455731;MM455731;O=CCC#CC#CCCO;LVYNNWSUMIZWRD-UHFFFAOYSA-N;136.15;-0.04;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda_Na";;;;;;;0.87;;-1.99;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM455732;MM455732;C#CC(CCC1CO1)=NN;IRECZWDEBGRQRM-UHFFFAOYSA-N;138.17;0.11;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nd_SNa";;;;;;;0.87;;-1.88;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM455733;MM455733;C=CCC#CC#CCCF;UPYYPYLWUXJUHD-UHFFFAOYSA-N;136.17;1.93;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_C5";;;;;;;1.64;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM455734;MM455734;C#CC(CCC1CO1)=NO;GQIXVOHVSNJOFH-UHFFFAOYSA-N;139.15;0.63;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda_SNa";;;;;;;0.87;;-1.99;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM455735;MM455735;O=CCC#CC#CCCF;WDEJLRYQVSOTJB-UHFFFAOYSA-N;138.14;0.94;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4_Na";;;;;;;2.2;;0.34;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM455736;MM455736;C#CC(=NC)NCC1CO1;FRTRXRULRQATJF-UHFFFAOYSA-N;138.17;-0.36;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1_SNa";;;;;;;0.04;;-4.25;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM455737;MM455737;N#CCC#CC#CCCF;QMRAMYSLZFPHCU-UHFFFAOYSA-N;135.14;1.27;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_N0";;;;;;;1.17;;-1.18;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM455738;MM455738;C#CC(=NO)NCC1CO1;UJBHGEGWIOOQBX-UHFFFAOYSA-N;140.14;-0.6;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_SNa";;;;;;;-0.24;;-3.24;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM455739;MM455739;C=CCC#CC#CCNC;MEVYUJVGQGKGCT-UHFFFAOYSA-N;133.19;0.79;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_C3";;;;;;;2.57;;-0.15;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM455740;MM455740;C#CC(=CC)OCC1CO1;FECDYEBBZWJGPK-UHFFFAOYSA-N;138.17;0.94;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_SNa";;;;;;;0.87;;-2.22;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM455741;MM455741;CNCC#CC#CCC=O;BVFCVGPAKALTNG-UHFFFAOYSA-N;135.17;-0.2;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_C5";;;;;;;1.64;;-1.16;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM455742;MM455742;C#CC(=CF)OCC1CO1;QMKGQFQEGZJYJK-UHFFFAOYSA-N;142.13;0.85;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_SNa";;;;;;;0.87;;-2.22;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM455743;MM455743;CNCC#CC#CCC#N;VXUUTDJDLXVZAU-UHFFFAOYSA-N;132.17;0.13;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_N0";;;;;;;1.17;;-2.4;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM455744;MM455744;C#CC(=CF)CCN1CC1;RWKCDYFMDONUSL-UHFFFAOYSA-N;139.17;1.18;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_SP1";;;;;;;0.81;;-0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM455745;MM455745;C=CCC#CC#CCOC;MMFCIFVWDQOICZ-UHFFFAOYSA-N;134.18;1.22;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_C3";;;;;;;2.57;;0.45;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM455746;MM455746;C#CC(CCN1CC1)=NN;JHFSPKMWPCZLMT-UHFFFAOYSA-N;137.19;-0.36;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nd_SP1";;;;;;;0.04;;-2.63;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM455747;MM455747;COCC#CC#CCC=O;WHGADUFNOCUBQF-UHFFFAOYSA-N;136.15;0.23;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_C5";;;;;;;1.64;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM455748;MM455748;C#CC(C)C#CCNN=C;JPLBSIRHKCPRHE-UHFFFAOYSA-N;134.18;0.46;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_P1";;;;;;;0.81;;-0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM455749;MM455749;COCC#CC#CCC#N;AAJBJBOWUVQOLR-UHFFFAOYSA-N;133.15;0.55;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_N0";;;;;;;1.17;;-1.18;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM455750;MM455750;CCC(C=CC1CC1)CC;BSKUFXRGBRKWTI-UHFFFAOYSA-N;138.25;3.39;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1_SC5";;;;;;;3.68;;0.46;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM455751;MM455751;C#CCC#CC#CCCC;YZDFHIDKZORYRG-UHFFFAOYSA-N;130.19;1.82;;;;;DOPC;MDCG;27;0;"MARTINI bead: C3_N0";;;;;;;2.87;;0.37;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM455752;MM455752;CCC(C=CC1CC1)CN;QXXGLDIECDKUPG-UHFFFAOYSA-N;139.24;1.94;;;;;DOPC;MDCG;27;1;"MARTINI bead: C5_SC5";;;;;;;2.41;;-0.46;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM455753;MM455753;C#CCC#CC#CCCN;HLOGAEINYVZCEV-UHFFFAOYSA-N;131.18;0.37;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_N0";;;;;;;1.17;;-3.38;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM455754;MM455754;C#CC(C)C(C#C)NN=C;DEJSQSLNZUNCNE-UHFFFAOYSA-N;134.18;0.46;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_P1";;;;;;;0.81;;-0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM455755;MM455755;C#CCC#CC#CCCO;WJYCIAODXYWKBP-UHFFFAOYSA-N;132.16;0.4;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda_N0";;;;;;;1.17;;-1.13;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM455756;MM455756;NCC(C=CC1CC1)CN;LGGSGGUFPYYZMI-UHFFFAOYSA-N;140.23;0.49;;;;;DOPC;MDCG;27;1;"MARTINI bead: P2_SC5";;;;;;;0.54;;-3.81;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM455757;MM455757;C#CCC#CC#CCCF;XAGIQWASFOEJEW-UHFFFAOYSA-N;134.15;1.38;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4_C3";;;;;;;3.9;;0.47;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM455758;MM455758;NCC(C=CC1CC1)CO;WZBSOEQIARZRJC-UHFFFAOYSA-N;141.21;0.52;;;;;DOPC;MDCG;27;1;"MARTINI bead: P2_SC5";;;;;;;0.54;;-3.48;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM455759;MM455759;C#CCC#CC#CCNC;SRDWYCNGVLARMN-UHFFFAOYSA-N;131.18;0.24;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_C3";;;;;;;2.57;;-0.14;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM455760;MM455760;NCC(C=CC1CC1)CF;DROHLOZGXNCLSS-UHFFFAOYSA-N;143.21;1.5;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nda_SC5";;;;;;;1.64;;-2.57;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM455761;MM455761;C#CCC#CC#CCOC;XFIPYNGSXDVACN-UHFFFAOYSA-N;132.16;0.66;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_C3";;;;;;;2.57;;0.45;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM455762;MM455762;OCC(C=CC1CC1)CF;YELAQKKNZZUYMF-UHFFFAOYSA-N;144.19;1.53;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda_SC5";;;;;;;1.64;;0.05;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM455763;MM455763;C=CCC#CC#CCC=C;IJXFHVGXIJDSQU-UHFFFAOYSA-N;130.19;2.15;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_C5";;;;;;;2.41;;0.64;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM455764;MM455764;CCC(C=CC1CC1)NC;DSYWLQWVTAEQKX-UHFFFAOYSA-N;139.24;1.95;;;;;DOPC;MDCG;27;1;"MARTINI bead: C5_SC5";;;;;;;2.41;;-0.24;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM455765;MM455765;C=CCC#CC#CCC=O;ZCROGRWTZFKQRP-UHFFFAOYSA-N;132.16;1.16;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_Na";;;;;;;1.64;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM455766;MM455766;CNC(C=CC1CC1)CN;FSUPWJUEDCVTDL-UHFFFAOYSA-N;140.23;0.5;;;;;DOPC;MDCG;27;1;"MARTINI bead: P2_SC5";;;;;;;0.54;;-3.32;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM455767;MM455767;C=CCC#CC#CCC#N;MZWWAYLXNQJSCN-UHFFFAOYSA-N;129.16;1.48;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_N0";;;;;;;1.94;;0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM455768;MM455768;CNC(C=CC1CC1)CO;GAWJTLQYYDWEKH-UHFFFAOYSA-N;141.21;0.53;;;;;DOPC;MDCG;27;1;"MARTINI bead: P2_SC5";;;;;;;0.54;;-2.87;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM455769;MM455769;O=CCC#CC#CCC=O;APZFJXYLWKBUTN-UHFFFAOYSA-N;134.13;0.17;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_Na";;;;;;;0.87;;-2.22;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM455770;MM455770;CCN(CC)N=CC1CC1;GYNFOCVANLOSLG-UHFFFAOYSA-N;140.23;1.72;;;;;DOPC;MDCG;27;0;"MARTINI bead: N0_SC5";;;;;;;1.94;;0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM455771;MM455771;N#CCC#CC#CCC=O;DINWBZBKJNFUPR-UHFFFAOYSA-N;131.13;0.5;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_N0";;;;;;;1.17;;-1.18;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM455772;MM455772;CCN(C=NC1CC1)CC;UYWFEQHSPNWOLS-UHFFFAOYSA-N;140.23;1.52;;;;;DOPC;MDCG;27;1;"MARTINI bead: C5_SP1";;;;;;;0.81;;-3.57;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM455773;MM455773;N#CCC#CC#CCC#N;FPQUPMBWGHRODQ-UHFFFAOYSA-N;128.13;0.82;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_N0";;;;;;;0.34;;-1.53;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM455774;MM455774;CCN(C=NC1CC1)NC;VOJRBPRUTZSRDK-UHFFFAOYSA-N;141.22;0.63;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1_SP1";;;;;;;-0.79;;-4.42;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM455775;MM455775;C#CCC#CC#CCC=C;QYLZLDLXGZNCPO-UHFFFAOYSA-N;128.17;1.59;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_N0";;;;;;;1.94;;0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM455776;MM455776;C#CCC#CC#CCC=O;ZTWLSEOIVCBYRL-UHFFFAOYSA-N;130.15;0.61;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_C3";;;;;;;2.57;;0.45;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM455777;MM455777;CCC(C=CC1CN1)CN;AKTDIVZVPXFRDE-UHFFFAOYSA-N;140.23;0.5;;;;;DOPC;MDCG;27;1;"MARTINI bead: C5_SP1";;;;;;;0.81;;-3.25;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM455778;MM455778;C#CCC#CC#CCC#N;ZZJVNHCQZPSPHD-UHFFFAOYSA-N;127.15;0.93;;;;;DOPC;MDCG;27;0;"MARTINI bead: N0_N0";;;;;;;1.47;;-0.05;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM455779;MM455779;NCC(C=CC1CN1)CN;XIMGEQMDYZBGBV-UHFFFAOYSA-N;141.22;-0.95;;;;;DOPC;MDCG;27;1;"MARTINI bead: P2_SP1";;;;;;;-1.06;;-6.54;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM455780;MM455780;CC=CC#CC#CCCC;ZELLXXJFCJZQKK-UHFFFAOYSA-N;132.21;2.37;;;;;DOPC;MDCG;27;0;"MARTINI bead: C3_C4";;;;;;;3.9;;0.47;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM455781;MM455781;CCC(C=CC1CN1)NC;FQIBGYAQAGGULE-UHFFFAOYSA-N;140.23;0.51;;;;;DOPC;MDCG;27;1;"MARTINI bead: C5_SP1";;;;;;;0.81;;-3.01;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM455782;MM455782;CCCC#CC#CC=CF;RXKZJUDWDRAVMZ-UHFFFAOYSA-N;136.17;2.28;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1_C4";;;;;;;4.24;;0.42;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM455783;MM455783;CNC(C=CC1CN1)CN;NMDNLFZKAMPXIM-UHFFFAOYSA-N;141.22;-0.94;;;;;DOPC;MDCG;27;1;"MARTINI bead: P2_SP1";;;;;;;-1.06;;-6.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM455784;MM455784;CC=CC#CC#CCCN;UTTBHHZBOVCHAH-UHFFFAOYSA-N;133.19;0.92;;;;;DOPC;MDCG;27;1;"MARTINI bead: C4_Nd";;;;;;;2.2;;-1.77;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM455785;MM455785;CCN(CC)N=CC1CN1;SGGBXZFVYUXRNR-UHFFFAOYSA-N;141.22;0.29;;;;;DOPC;MDCG;27;0;"MARTINI bead: N0_SP1";;;;;;;0.34;;-1.53;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM455786;MM455786;NCCC#CC#CC=CF;SJKLAGCJXNMFMK-UHFFFAOYSA-N;137.16;0.83;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_C4";;;;;;;2.2;;-1.77;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM455787;MM455787;CCC(C=CC1CO1)CC;UELJUGFKWCJNAP-UHFFFAOYSA-N;140.23;2.38;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1_SNa";;;;;;;2.91;;0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM455788;MM455788;CC=CC#CC#CCCO;BPNAUFVEGQLPFM-UHFFFAOYSA-N;134.18;0.95;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4_Nda";;;;;;;2.2;;0.49;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM455789;MM455789;CCC(C=CC1CO1)CN;ZSIHPBZWHFJRTG-UHFFFAOYSA-N;141.21;0.93;;;;;DOPC;MDCG;27;1;"MARTINI bead: C5_SNa";;;;;;;1.64;;-2.7;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM455790;MM455790;OCCC#CC#CC=CF;YMHNPQSDQJYWRO-UHFFFAOYSA-N;138.14;0.86;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda_C4";;;;;;;2.2;;0.49;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM455791;MM455791;C=NNC=C(C#N)CC#N;LALBSLFORWIQDZ-UHFFFAOYSA-N;134.14;0.51;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_N0";;;;;;;0.34;;-1.53;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM455792;MM455792;NCC(C=CC1CO1)CN;KVMRESKXKZQBOR-UHFFFAOYSA-N;142.2;-0.53;;;;;DOPC;MDCG;27;1;"MARTINI bead: P2_SNa";;;;;;;-0.24;;-5.96;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM455793;MM455793;CC=CC#CC#CCCF;NDVZGRZUGJZKOC-UHFFFAOYSA-N;136.17;1.93;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4_Na";;;;;;;2.2;;0.34;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM455794;MM455794;NCC(C=CC1CO1)CO;PIFZVXLLDITDIM-UHFFFAOYSA-N;143.19;-0.49;;;;;DOPC;MDCG;27;1;"MARTINI bead: P2_SNa";;;;;;;-0.24;;-5.63;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM455795;MM455795;CCCC#CC#CC=NN;DISKGJDSZKSWBG-UHFFFAOYSA-N;134.18;0.74;;;;;DOPC;MDCG;27;0;"MARTINI bead: C3_P1";;;;;;;1.74;;0.29;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM455796;MM455796;NCC(C=CC1CO1)CF;NADQPOLYVNVVKS-UHFFFAOYSA-N;145.18;0.49;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nda_SNa";;;;;;;0.87;;-4.68;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM455797;MM455797;CCCC#CC#CC=NO;OKPIRVNTHDSNSN-UHFFFAOYSA-N;135.17;1.25;;;;;DOPC;MDCG;27;0;"MARTINI bead: C3_P1";;;;;;;1.74;;0.29;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM455798;MM455798;CCC(C=CC1CO1)NC;CHLCXTZTTIRBDP-UHFFFAOYSA-N;141.21;0.94;;;;;DOPC;MDCG;27;1;"MARTINI bead: C5_SNa";;;;;;;1.64;;-2.47;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM455799;MM455799;NCCC#CC#CC=NO;XBVZPVCXOHVCDD-UHFFFAOYSA-N;136.15;-0.2;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_Nda";;;;;;;0.87;;-4.38;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM455800;MM455800;CNC(C=CC1CO1)CN;MMCQYYPTCNMJGA-UHFFFAOYSA-N;142.2;-0.51;;;;;DOPC;MDCG;27;1;"MARTINI bead: P2_SNa";;;;;;;-0.24;;-5.47;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM455801;MM455801;CC(=O)ON=CC(C)F;QENKDOXLFWNORO-UHFFFAOYSA-N;133.12;0.89;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_P2";;;;;;;0.54;;-1.09;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM455802;MM455802;CNC(C=CC1CO1)CO;ICPUCYRNDBPOAX-UHFFFAOYSA-N;143.19;-0.48;;;;;DOPC;MDCG;27;1;"MARTINI bead: P2_SNa";;;;;;;-0.24;;-5.01;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM455803;MM455803;C=NNCC(F)(F)C#N;ZMIOCBGXXGTIOF-UHFFFAOYSA-N;133.1;0.35;;;;;DOPC;MDCG;27;0;"MARTINI bead: N0_P1";;;;;;;0.34;;-1.53;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM455804;MM455804;CCC(C=CC1CO1)OC;RMQADTQNQJNPGH-UHFFFAOYSA-N;142.2;1.37;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4_SNa";;;;;;;2.2;;0.34;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM455805;MM455805;CC=CC#CC#CCNC;TZWPCRZHOQAVAM-UHFFFAOYSA-N;133.19;0.79;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_C2";;;;;;;2.83;;0.41;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM455806;MM455806;CCN(CC)N=CC1CO1;NKCSURMQILGSLV-UHFFFAOYSA-N;142.2;0.71;;;;;DOPC;MDCG;27;0;"MARTINI bead: N0_SNa";;;;;;;1.17;;-1.18;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM455807;MM455807;CNCC#CC#CC=CF;WVSHWXPGYZLCOA-UHFFFAOYSA-N;137.16;0.7;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_C4";;;;;;;2.2;;-0.78;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM455808;MM455808;CCC(CC)N=CN1CC1;WMYCHEIPWYHETP-UHFFFAOYSA-N;140.23;1.52;;;;;DOPC;MDCG;27;1;"MARTINI bead: C5_SP1";;;;;;;0.81;;-2.82;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM455809;MM455809;CC=CC#CC#CCOC;PGOGZIQBOYTNLQ-UHFFFAOYSA-N;134.18;1.22;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_C1";;;;;;;2.91;;0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM455810;MM455810;CCC(CN)N=CN1CC1;UDOYBTYRAFHPSI-UHFFFAOYSA-N;141.22;0.07;;;;;DOPC;MDCG;27;1;"MARTINI bead: P2_SP1";;;;;;;-1.06;;-5.86;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM455811;MM455811;COCC#CC#CC=CF;OWAFHIASNBWDRE-UHFFFAOYSA-N;138.14;1.12;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_C4";;;;;;;2.97;;0.45;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM455812;MM455812;CCC(CO)N=CN1CC1;LYTNZLDWRPBJSP-UHFFFAOYSA-N;142.2;0.1;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1_SP1";;;;;;;-0.79;;-4.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM455813;MM455813;COCC#CC#CC=NN;NDHVSNIRXHCATG-UHFFFAOYSA-N;136.15;-0.42;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_Nd";;;;;;;0.87;;-1.88;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM455814;MM455814;COCC#CC#CC=NO;YEWFZNBBIVPWIN-UHFFFAOYSA-N;137.14;0.1;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_Nda";;;;;;;0.87;;-1.99;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM455815;MM455815;NCC(CO)N=CN1CC1;VYUAZPLCSYSFRO-UHFFFAOYSA-N;143.19;-1.35;;;;;DOPC;MDCG;27;1;"MARTINI bead: P4_SP1";;;;;;;-2.01;;-6.6;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM455816;MM455816;C=CCC#CC#CC=CC;UUGUJOHHVHURMF-UHFFFAOYSA-N;130.19;2.15;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4_C5";;;;;;;2.97;;0.45;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM455817;MM455817;CCC(C=NN1CC1)CC;WVFINDGQZJUAHW-UHFFFAOYSA-N;140.23;1.72;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1_SP3";;;;;;;0.94;;0.03;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM455818;MM455818;C=CCC#CC#CC=CF;STDDQGXGQVMFJS-UHFFFAOYSA-N;134.15;2.05;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4_C3";;;;;;;3.9;;0.47;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM455819;MM455819;CCC(C=NN1CC1)CN;MINPKRPEVPJTBI-UHFFFAOYSA-N;141.22;0.27;;;;;DOPC;MDCG;27;1;"MARTINI bead: C5_SP3";;;;;;;-0.33;;-4.39;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM455820;MM455820;CC=CC#CC#CCC=O;LBFPBASEMSYMPR-UHFFFAOYSA-N;132.16;1.16;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4_Na";;;;;;;2.2;;0.34;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM455821;MM455821;C=CC(=NNCC)C(F)F;ZXTGQOCDCNUBIB-UHFFFAOYSA-N;148.16;1.4;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nd_N0";;;;;;;1.17;;-1.04;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM455822;MM455822;CC=CC#CC#CCC#N;DLLVWWMADUPXAY-UHFFFAOYSA-N;129.16;1.48;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4_N0";;;;;;;2.5;;0.44;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM455823;MM455823;CCC(C=NN1CC1)CF;QEPOVAMUPVAHNH-UHFFFAOYSA-N;144.19;1.28;;;;;DOPC;MDCG;27;0;"MARTINI bead: C2_SP3";;;;;;;0.86;;-0.3;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM455824;MM455824;O=CCC#CC#CC=CF;CNLYVMYDIIHESN-UHFFFAOYSA-N;136.13;1.07;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_Na";;;;;;;1.64;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM455825;MM455825;NCC(C=NN1CC1)CN;CNZIGWDVOHVZJL-UHFFFAOYSA-N;142.21;-1.18;;;;;DOPC;MDCG;27;1;"MARTINI bead: P2_SP3";;;;;;;-2.2;;-7.54;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM455826;MM455826;N#CCC#CC#CC=CF;AIXAPSXCNIXCTB-UHFFFAOYSA-N;133.13;1.39;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_N0";;;;;;;1.94;;0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM455827;MM455827;NCC(C=NN1CC1)CO;PBJMKOUWDINAPA-UHFFFAOYSA-N;143.19;-1.15;;;;;DOPC;MDCG;27;1;"MARTINI bead: P2_SP3";;;;;;;-2.2;;-7.23;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM455828;MM455828;C=CCC#CC#CC=NN;AVSPZVDABMVPGV-UHFFFAOYSA-N;132.17;0.51;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nd_C3";;;;;;;2.57;;0.53;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM455829;MM455829;CC1CN(C=O)C(C)C1=O;HABLSIJZAWQENO-UHFFFAOYSA-N;141.17;0.05;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNda_SP2";;;;;;;-0.24;;-3.31;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM455830;MM455830;C=CCC#CC#CC=NO;RBOLNMPIRDVABK-UHFFFAOYSA-N;133.15;1.03;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_C3";;;;;;;1.74;;0.29;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM455831;MM455831;CNn1cc(N)ncc1=O;LPFVWIQMZRDJFN-UHFFFAOYSA-N;140.15;-1;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP1_SP3";;;;;;;-1.93;;-4.72;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM455832;MM455832;O=CCC#CC#CC=NO;WNCFXHVIAKKYDW-UHFFFAOYSA-N;135.12;0.04;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda_Na";;;;;;;0.87;;-1.99;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM455833;MM455833;COC(C=NN1CC1)CN;STUSZXDXASFKHH-UHFFFAOYSA-N;143.19;-0.74;;;;;DOPC;MDCG;27;1;"MARTINI bead: P2_SP3";;;;;;;-2.2;;-6.86;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM455834;MM455834;N#CCC#CC#CC=NO;CVICRSKJRUAWGO-UHFFFAOYSA-N;132.12;0.37;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_C5";;;;;;;0.81;;-0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM455835;MM455835;C#CC=NNCC#CCF;MYZGUIWDCFYTSQ-UHFFFAOYSA-N;138.15;0.17;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_P1";;;;;;;0.81;;-0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM455836;MM455836;C#CCC#CC#CC=CC;ARXQLULAAAUJRY-UHFFFAOYSA-N;128.17;1.59;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4_N0";;;;;;;2.5;;0.44;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM455837;MM455837;COC(C=NN1CC1)CF;KZDGMHFMOMHRAU-UHFFFAOYSA-N;146.17;0.27;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_SP3";;;;;;;-1.1;;-4.2;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM455838;MM455838;C#CCC#CC#CC=CF;NUEMLGGMCDODIR-UHFFFAOYSA-N;132.14;1.5;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4_C3";;;;;;;3.9;;0.47;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM455839;MM455839;CCN(C=NN1CC1)CC;NXHBAUURCRHEPO-UHFFFAOYSA-N;141.22;0.59;;;;;DOPC;MDCG;27;1;"MARTINI bead: C5_SP3";;;;;;;-0.33;;-3.11;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM455840;MM455840;C#CCC#CC#CC=NN;DQANIGCBOQQTFH-UHFFFAOYSA-N;130.15;-0.04;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nd_C3";;;;;;;2.57;;0.53;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM455841;MM455841;CCN(C=NN1CC1)OC;MZAOTEQZLCMOIV-UHFFFAOYSA-N;143.19;0.13;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_SP3";;;;;;;-1.1;;-4.2;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM455842;MM455842;C#CCC#CC#CC=NO;XYIVBPJTULCEIY-UHFFFAOYSA-N;131.13;0.48;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_C3";;;;;;;1.74;;0.3;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM455843;MM455843;C=CC(C=CC1CC1)CC;QLUACDJBXMUPPY-UHFFFAOYSA-N;136.24;3.16;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1_SC5";;;;;;;3.68;;0.46;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM455844;MM455844;CC#CC#CC#CCCC;HYZJCNSBBDTNEI-UHFFFAOYSA-N;130.19;1.82;;;;;DOPC;MDCG;27;0;"MARTINI bead: C3_C4";;;;;;;3.9;;0.47;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM455845;MM455845;CCC(C=O)C=CC1CC1;JMZDRJGGEHHVHX-UHFFFAOYSA-N;138.21;2.18;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_SC5";;;;;;;2.41;;0.64;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM455846;MM455846;CC#CC#CC#CCCN;IUOFDRKOKYDLBY-UHFFFAOYSA-N;131.18;0.37;;;;;DOPC;MDCG;27;1;"MARTINI bead: C4_Nd";;;;;;;2.2;;-1.77;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM455847;MM455847;CCC(C#N)C=CC1CC1;RTSNVNJVTPCOQZ-UHFFFAOYSA-N;135.21;2.5;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_SC5";;;;;;;2.41;;0.64;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM455848;MM455848;CC#CC#CC#CCCO;OMYDFQNJZABHNO-UHFFFAOYSA-N;132.16;0.4;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4_Nda";;;;;;;2.2;;0.49;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM455849;MM455849;C=CC(C=CC1CC1)CN;HFWKSLPOIYYDNL-UHFFFAOYSA-N;137.23;1.71;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_SC5";;;;;;;1.64;;-2.64;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM455850;MM455850;CC#CC#CC#CCCF;BRXNMRQKPCOEET-UHFFFAOYSA-N;134.15;1.38;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4_Na";;;;;;;2.2;;0.34;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM455851;MM455851;C#CC=NNCC#CC=C;LPRYTAUIHWGIHH-UHFFFAOYSA-N;132.17;0.38;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4_P1";;;;;;;1.37;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM455852;MM455852;CC#CC#CC#CCNC;MORQBAHBLWGYJJ-UHFFFAOYSA-N;131.18;0.24;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_C4";;;;;;;2.2;;-0.74;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM455853;MM455853;O=CC(C=CC1CC1)CO;SSHDFTNNIUNCIM-UHFFFAOYSA-N;140.18;0.76;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_SC5";;;;;;;0.54;;-1.09;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM455854;MM455854;CC#CC#CC#CCOC;MQMYQORDWMIVOB-UHFFFAOYSA-N;132.16;0.66;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_C1";;;;;;;2.91;;0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM455855;MM455855;N#CC(C=CC1CC1)CO;UENJDROXDQYZRK-UHFFFAOYSA-N;137.18;1.08;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_SC5";;;;;;;0.54;;-1.09;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM455856;MM455856;C=CCC#CC#CC#CC;GBDMSHKMPAVCGG-UHFFFAOYSA-N;128.17;1.59;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4_C5";;;;;;;2.97;;0.45;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM455857;MM455857;C=CC(C=CC1CC1)CF;GBHJESJTTSJSLR-UHFFFAOYSA-N;140.2;2.72;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4_SC5";;;;;;;2.97;;0.45;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM455858;MM455858;CC#CC#CC#CCC=O;ZGPKVMDMMMEURB-UHFFFAOYSA-N;130.15;0.61;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4_Na";;;;;;;2.2;;0.34;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM455859;MM455859;C=CC(C=CC1CC1)NC;CZKFAMIXPTXXJE-UHFFFAOYSA-N;137.23;1.73;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_SC5";;;;;;;1.64;;-1.62;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM455860;MM455860;CC#CC#CC#CCC#N;BPRVROVINAAUJE-UHFFFAOYSA-N;127.15;0.93;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4_N0";;;;;;;2.5;;0.44;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM455861;MM455861;CNC(C#N)C=CC1CC1;RJEFWCXAVNTMRD-UHFFFAOYSA-N;136.2;1.06;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_SC5";;;;;;;0.81;;-0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM455862;MM455862;C#CCC#CC#CC#CC;SKMQTZQCBHXKHV-UHFFFAOYSA-N;126.16;1.04;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4_N0";;;;;;;2.5;;0.44;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM455863;MM455863;COC(C#N)C=CC1CC1;QWGPPXOSTKVTLL-UHFFFAOYSA-N;137.18;1.49;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_SC5";;;;;;;1.64;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM455864;MM455864;CC=CC#CC#CC=CC;CYAHDZCGTZPNJD-UHFFFAOYSA-N;130.19;2.15;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4_C4";;;;;;;3.53;;0.53;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM455865;MM455865;CCN(C=N)C=CC1CC1;GGZXCUNVTMSUIO-UHFFFAOYSA-N;138.21;1.84;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_SC5";;;;;;;1.64;;-3.72;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM455866;MM455866;CC=CC#CC#CC=CF;UJYOWZMGZCJRQI-UHFFFAOYSA-N;134.15;2.05;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1_C4";;;;;;;4.24;;0.42;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM455867;MM455867;CCN(C=O)C=CC1CC1;UUWMHTUPSXYVAI-UHFFFAOYSA-N;139.2;1.39;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_SC5";;;;;;;0.81;;-0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM455868;MM455868;FC=CC#CC#CC=CF;IZLWCOBKMMYQAT-UHFFFAOYSA-N;138.12;1.96;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4_C3";;;;;;;3.9;;0.47;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM455869;MM455869;CNN(C=N)C=CC1CC1;SJQFHDGIEHXSNN-UHFFFAOYSA-N;139.2;0.95;;;;;DOPC;MDCG;27;1;"MARTINI bead: P4_SC5";;;;;;;-0.41;;-5.27;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM455870;MM455870;CC=CC#CC#CC=NN;LFPUNTJOXHVKTM-UHFFFAOYSA-N;132.17;0.51;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4_P1";;;;;;;1.37;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM455871;MM455871;CNN(C=O)C=CC1CC1;RYIYNNDHZAOVHO-UHFFFAOYSA-N;140.19;0.5;;;;;DOPC;MDCG;27;0;"MARTINI bead: P3_SC5";;;;;;;-0.33;;-2.01;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM455872;MM455872;CC=CC#CC#CC=NO;XFAHUZJOBKUUQX-UHFFFAOYSA-N;133.15;1.03;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1_P1";;;;;;;2.08;;0.49;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM455873;MM455873;CON(C=N)C=CC1CC1;NPVPASIORQZKST-UHFFFAOYSA-N;140.19;1.38;;;;;DOPC;MDCG;27;1;"MARTINI bead: P2_SC5";;;;;;;0.54;;-2.27;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM455874;MM455874;NN=CC#CC#CC=CF;SUVFVCZBGVIAEJ-UHFFFAOYSA-N;136.13;0.42;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nd_C4";;;;;;;2.2;;0.32;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM455875;MM455875;CON(C=O)C=CC1CC1;YZWQKNAMMZMAKR-UHFFFAOYSA-N;141.17;0.93;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_SC5";;;;;;;0.54;;-1.09;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM455876;MM455876;ON=CC#CC#CC=CF;MAJHMWZMRHDHBR-UHFFFAOYSA-N;137.11;0.94;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda_C4";;;;;;;2.2;;0.51;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM455877;MM455877;CCN(C=N)N=CC1CC1;DSRMHNVJTUIQTI-UHFFFAOYSA-N;139.2;1.31;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_SC5";;;;;;;0.54;;-1.09;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM455878;MM455878;NN=CC#CC#CC=NN;CTLQOUFUYANBOU-UHFFFAOYSA-N;134.14;-1.12;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nd_Nd";;;;;;;0.87;;-2.11;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM455879;MM455879;CCN(C=O)N=CC1CC1;UIDCWSNUIWONHC-UHFFFAOYSA-N;140.19;0.86;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_SC5";;;;;;;0.54;;-1.09;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM455880;MM455880;NN=CC#CC#CC=NO;IABAXXFNHIYRKG-UHFFFAOYSA-N;135.13;-0.6;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nd_Nda";;;;;;;0.87;;-1.92;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM455881;MM455881;C=CN(C=NC1CC1)CC;DAMQDOVLORRPHD-UHFFFAOYSA-N;138.21;1.64;;;;;DOPC;MDCG;27;1;"MARTINI bead: C5_SP1";;;;;;;0.81;;-3.14;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM455882;MM455882;CC#CC#CC#CC=CC;UFSCFBCZHLPIID-UHFFFAOYSA-N;128.17;1.59;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4_C4";;;;;;;3.53;;0.53;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM455883;MM455883;CCN(C=N)C=NC1CC1;JAJHMWNMQBPOFN-UHFFFAOYSA-N;139.2;1.11;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_SP1";;;;;;;0.04;;-4.3;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM455884;MM455884;CC#CC#CC#CC=CF;ZPDRYKNVUYJHML-UHFFFAOYSA-N;132.14;1.5;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1_C4";;;;;;;4.24;;0.42;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM455885;MM455885;CCN(C=O)C=NC1CC1;UTBVJKIHZIUROR-UHFFFAOYSA-N;140.19;0.66;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_SP1";;;;;;;-0.79;;-3.13;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM455886;MM455886;CC#CC#CC#CC=NN;WMVUWWRIJBACLW-UHFFFAOYSA-N;130.15;-0.04;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4_P1";;;;;;;1.37;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM455887;MM455887;C=NN(C=NC1CC1)CC;OMNGYMRXCLDXIN-UHFFFAOYSA-N;139.2;1.11;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_SP1";;;;;;;-0.79;;-3.13;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM455888;MM455888;CC#CC#CC#CC=NO;IWJPTOIGBABMKR-UHFFFAOYSA-N;131.13;0.48;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4_P1";;;;;;;1.37;;-0.05;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM455889;MM455889;C=CN(C=NC1CC1)NC;QEGMFKUJLHOYHO-UHFFFAOYSA-N;139.2;0.76;;;;;DOPC;MDCG;27;1;"MARTINI bead: P2_SP1";;;;;;;-1.06;;-5.27;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM455890;MM455890;CCCCC=CCCCC;UURSXESKOOOTOV-UHFFFAOYSA-N;140.27;3.92;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1_C1";;;;;;;4.95;;0.69;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM455891;MM455891;CNN(C=O)C=NC1CC1;YJXUZLXLZZFTDS-UHFFFAOYSA-N;141.17;-0.23;;;;;DOPC;MDCG;27;0;"MARTINI bead: P3_SP1";;;;;;;-1.93;;-4.72;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM455892;MM455892;NCCCC=CCCCN;DRHRDPAGERBYMT-UHFFFAOYSA-N;142.25;1.02;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_Nd";;;;;;;0.87;;-5.2;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM455893;MM455893;CON(C=O)C=NC1CC1;KVJYFAJCFXLDHN-UHFFFAOYSA-N;142.16;0.2;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_SP1";;;;;;;-1.06;;-3.82;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM455894;MM455894;NCCCC=CCCCO;KQIZFAKLGKDFOG-UHFFFAOYSA-N;143.23;1.05;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_Nda";;;;;;;0.87;;-4.71;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM455895;MM455895;CNN(C=N)C=CC1CN1;PMXVWHYYRJFOIT-UHFFFAOYSA-N;140.19;-0.48;;;;;DOPC;MDCG;27;1;"MARTINI bead: P4_SP1";;;;;;;-2.01;;-7.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM455896;MM455896;NCCCC=CCCCF;GERNQHJDSDZHIE-UHFFFAOYSA-N;145.22;2.03;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_C4";;;;;;;2.2;;-2.21;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM455897;MM455897;C=CC(C=CC1CO1)CC;WWVVOBFXOFCGNH-UHFFFAOYSA-N;138.21;2.15;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1_SNa";;;;;;;2.91;;0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM455898;MM455898;C=NOC(=NCC)NN;JAMGVJGEGYVTIV-UHFFFAOYSA-N;130.15;-0.54;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_P2";;;;;;;0.54;;-1.09;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM455899;MM455899;CCC(C=O)C=CC1CO1;LYWOFADXGNXWBA-UHFFFAOYSA-N;140.18;1.17;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_SNa";;;;;;;1.64;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM455900;MM455900;CNCCC=CCCCO;FGSKIESEQRVDCW-UHFFFAOYSA-N;143.23;0.92;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_Nda";;;;;;;0.87;;-4.97;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM455901;MM455901;CCC(C#N)C=CC1CO1;UDEYLJBVVDHHEC-UHFFFAOYSA-N;137.18;1.49;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_SNa";;;;;;;1.64;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM455902;MM455902;CNCCC=CCCCF;QVYKBXUJQACSHJ-UHFFFAOYSA-N;145.22;1.9;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_C4";;;;;;;2.2;;-2.47;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM455903;MM455903;C=CC(C=CC1CO1)CN;WPTKUJUUJDIBMH-UHFFFAOYSA-N;139.2;0.7;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_SNa";;;;;;;0.87;;-4.62;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM455904;MM455904;CNCCC=CCCNC;JIGADXIQHKWPRD-UHFFFAOYSA-N;142.25;0.76;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_Nd";;;;;;;0.87;;-5.47;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM455905;MM455905;CC#CC=NNCC#CC;VFFATMBFPDQOJI-UHFFFAOYSA-N;134.18;0.61;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4_Nd";;;;;;;2.2;;0.32;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM455906;MM455906;CCNCC=CCCCN;ZHHURYHKONMYTJ-UHFFFAOYSA-N;142.25;0.89;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_Nd";;;;;;;0.87;;-5.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM455907;MM455907;O=CC(C=CC1CO1)CO;JCOCVWRMOWMZSX-UHFFFAOYSA-N;142.15;-0.25;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_SNa";;;;;;;-0.24;;-3.24;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM455908;MM455908;CCNCC=CCCCO;ASVQVQMSBRLGTB-UHFFFAOYSA-N;143.23;0.92;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_Nda";;;;;;;0.87;;-4.33;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM455909;MM455909;N#CC(C=CC1CO1)CO;KBFVNZQSTSLWAQ-UHFFFAOYSA-N;139.15;0.07;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_SNa";;;;;;;-0.24;;-3.24;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM455910;MM455910;CCNCC=CCCCF;JZSPDOAPOJLCCX-UHFFFAOYSA-N;145.22;1.9;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_C4";;;;;;;2.2;;-1.84;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM455911;MM455911;C=CC(C=CC1CO1)CF;BXHSZKGDLIMNQP-UHFFFAOYSA-N;142.17;1.71;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4_SNa";;;;;;;2.2;;0.34;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM455912;MM455912;CCNCC=CCCNC;NAGBHGZXQZVSNZ-UHFFFAOYSA-N;142.25;0.76;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_Nd";;;;;;;0.87;;-5.26;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM455913;MM455913;C=CC(C=CC1CO1)NC;PZLLKWIFGDMGGK-UHFFFAOYSA-N;139.2;0.72;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_SNa";;;;;;;0.87;;-3.6;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM455914;MM455914;CCCCC=CCOCC;CVJJHGYFUQBSCH-UHFFFAOYSA-N;142.24;2.77;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1_Na";;;;;;;2.91;;0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM455915;MM455915;COC(C=O)C=CC1CO1;UQRNRIUUOPIYIM-UHFFFAOYSA-N;142.15;0.16;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_SNa";;;;;;;0.87;;-2.22;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM455916;MM455916;CCOCC=CCCCN;UCKVZHXVSCOADF-UHFFFAOYSA-N;143.23;1.32;;;;;DOPC;MDCG;27;1;"MARTINI bead: C5_Nd";;;;;;;1.64;;-2.69;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM455917;MM455917;CCN(C=N)C=CC1CO1;VUALLXXXAXOBJA-UHFFFAOYSA-N;140.19;0.83;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_SNa";;;;;;;0.87;;-5.45;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM455918;MM455918;Cn1nc(NN)cc1N;NWMYOIMVQZXYHM-UHFFFAOYSA-N;127.15;-0.71;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP1_SP1";;;;;;;-0.79;;-3.13;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM455919;MM455919;CNN(C=O)C=CC1CO1;SFVSDSWYXHEMPW-UHFFFAOYSA-N;142.16;-0.51;;;;;DOPC;MDCG;27;0;"MARTINI bead: P3_SNa";;;;;;;-1.1;;-4.2;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM455920;MM455920;CCOCC=CCCNC;XDTJSTJBIKQGKR-UHFFFAOYSA-N;143.23;1.19;;;;;DOPC;MDCG;27;1;"MARTINI bead: C5_Nd";;;;;;;1.64;;-2.95;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM455921;MM455921;CON(C=O)C=CC1CO1;IZOXSEBCXNUUBT-UHFFFAOYSA-N;143.14;-0.08;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_SNa";;;;;;;-0.24;;-3.24;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM455922;MM455922;CCOCC=CCCOC;CFWBTPFODZMYHD-UHFFFAOYSA-N;144.21;1.62;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_Na";;;;;;;1.64;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM455923;MM455923;CCN(C=O)N=CC1CO1;HQPKPRVGHYWEMY-UHFFFAOYSA-N;142.16;-0.15;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_SNa";;;;;;;-0.24;;-3.24;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM455924;MM455924;CCNCC=CCNCC;YWWSWEIXJXYQJB-UHFFFAOYSA-N;142.25;0.76;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_Nd";;;;;;;0.87;;-4.83;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM455925;MM455925;C=CC(CC)N=CN1CC1;QBZVZVFLQXQDIW-UHFFFAOYSA-N;138.21;1.29;;;;;DOPC;MDCG;27;1;"MARTINI bead: N0_SP1";;;;;;;0.34;;-3.37;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM455926;MM455926;CCCCC=COCCC;GTFPETXSWJYYAY-UHFFFAOYSA-N;142.24;3.12;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1_Na";;;;;;;2.91;;0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM455927;MM455927;C=NNCC(F)=CF;DALWNBMDPKWPIR-UHFFFAOYSA-N;120.1;0.97;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_P2";;;;;;;0.54;;-1.09;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM455928;MM455928;CCCCC=COCCN;VMPSMTPOWSWSKO-UHFFFAOYSA-N;143.23;1.67;;;;;DOPC;MDCG;27;1;"MARTINI bead: C1_P1";;;;;;;2.08;;-0.45;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM455929;MM455929;NCCCC=COCCN;WRLUUNZTICJHEE-UHFFFAOYSA-N;144.22;0.21;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_P2";;;;;;;-0.24;;-6;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM455930;MM455930;CCC(C#N)C=NN1CC1;VYNOKUQLIGNGIT-UHFFFAOYSA-N;137.19;0.84;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_SP3";;;;;;;-0.33;;-2.01;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM455931;MM455931;C=Cc1noc(C)c1N;FDWLFSVWXDPSII-UHFFFAOYSA-N;124.14;1.21;;;;;DOPC;MDCG;27;0;"MARTINI bead: SN0_SNda";;;;;;;1.17;;-1.13;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM455932;MM455932;C=CC(C=NN1CC1)CN;ABFQIPRDHYUADE-UHFFFAOYSA-N;139.2;0.05;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_SP3";;;;;;;-1.1;;-6.3;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM455933;MM455933;CCCCC=COCOC;AYYVRDHSSVXGIB-UHFFFAOYSA-N;144.21;2.31;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1_P1";;;;;;;2.08;;0.48;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM455934;MM455934;CC1CC(C#N)=NN1;LCQVZQJIUZLGBV-UHFFFAOYSA-N;109.13;0.25;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP1_SP1";;;;;;;-0.79;;-3.13;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM455935;MM455935;CCCOC=CCCOC;HMYGUCSBRHNWLA-UHFFFAOYSA-N;144.21;1.96;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4_Na";;;;;;;2.2;;0.34;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM455936;MM455936;C=NNCC#CCC;ZWVWJEZBFWLJIW-UHFFFAOYSA-N;110.16;0.61;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_P2";;;;;;;0.54;;-1.09;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM455937;MM455937;COCCC=COCCN;WHHSSIMJNNGNMH-UHFFFAOYSA-N;145.2;0.51;;;;;DOPC;MDCG;27;1;"MARTINI bead: Na_P2";;;;;;;-0.24;;-5.26;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM455938;MM455938;C=CC(C=NN1CC1)CF;FAZYRDSIRDYUED-UHFFFAOYSA-N;142.18;1.06;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4_SP3";;;;;;;0.23;;-1.03;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM455939;MM455939;CCCOC=CCNCC;CXRQRTRHEQETEI-UHFFFAOYSA-N;143.23;1.54;;;;;DOPC;MDCG;27;1;"MARTINI bead: C4_Nd";;;;;;;2.2;;-1.59;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM455940;MM455940;CNC(C#N)C=NN1CC1;UYGKBAXYDWMOSW-UHFFFAOYSA-N;138.17;-0.6;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_SP3";;;;;;;-1.93;;-4.72;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM455941;MM455941;C=CC(C=NN1CC1)OC;ZBOIKDBGRQHDEM-UHFFFAOYSA-N;140.19;0.49;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_SP3";;;;;;;-0.33;;-2.01;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM455942;MM455942;CCOCC=COCCO;SJZMVYMNJKCLSE-UHFFFAOYSA-N;146.19;0.55;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_P2";;;;;;;0.54;;-1.09;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM455943;MM455943;CCN(C=O)N=CN1CC1;HXEXGGMEUKRQGO-UHFFFAOYSA-N;141.17;-0.28;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_SP1";;;;;;;-1.06;;-3.82;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM455944;MM455944;NCCOC=COCCO;WVJIFEQBPXXRRN-UHFFFAOYSA-N;147.17;-0.56;;;;;DOPC;MDCG;27;1;"MARTINI bead: P2_P2";;;;;;;-1.34;;-6.33;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM455945;MM455945;CCN(C=N)C=NN1CC1;WFSAVVCGPGPAMF-UHFFFAOYSA-N;140.19;0.17;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_SP3";;;;;;;-1.1;;-5.05;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM455946;MM455946;CCCCC=NNCCC;UXYAYGXVDIUIMR-UHFFFAOYSA-N;142.25;2.16;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1_Nd";;;;;;;2.91;;0.64;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM455947;MM455947;CCN(C=O)C=NN1CC1;CZGHAQLAXGOYIW-UHFFFAOYSA-N;141.17;-0.28;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_SP3";;;;;;;-1.93;;-4.72;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM455948;MM455948;CCCCC=NNCCF;YPGCWXGGZKEQRL-UHFFFAOYSA-N;146.21;1.72;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1_P1";;;;;;;2.08;;0.48;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM455949;MM455949;C=NN(C=NN1CC1)CC;SLTJRMZMEQGYKX-UHFFFAOYSA-N;140.19;0.18;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_SP3";;;;;;;-1.93;;-4.72;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM455950;MM455950;NCCCC=NNCCO;JEBNQTHHPBWHPB-UHFFFAOYSA-N;145.21;-0.71;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_P3";;;;;;;-1.1;;-6.67;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM455951;MM455951;CNN(C=O)C=NN1CC1;MAZKAUKETOSQQG-UHFFFAOYSA-N;142.16;-1.16;;;;;DOPC;MDCG;27;0;"MARTINI bead: P3_SP3";;;;;;;-3.07;;-6.15;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM455952;MM455952;N#CC1=NCC(CF)N1;BUPBOASQNXSXGY-UHFFFAOYSA-N;127.12;-0.15;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP2_SP1";;;;;;;-1.06;;-3.82;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM455953;MM455953;C=CN(C=NN1CC1)OC;FWTYISKVBFJWCE-UHFFFAOYSA-N;141.17;0.25;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_SP3";;;;;;;-1.1;;-4.2;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM455954;MM455954;FCCCC=NNCCF;MJUXWUVOYURFBW-UHFFFAOYSA-N;150.17;1.28;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4_P1";;;;;;;1.37;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM455955;MM455955;CON(C=N)C=NN1CC1;KHONXBBZXGNCPF-UHFFFAOYSA-N;142.16;-0.28;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_SP3";;;;;;;-2.2;;-5.19;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM455956;MM455956;CCCNN=CCCNC;JBXTXFBIUWJADL-UHFFFAOYSA-N;143.23;0.58;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_Nd";;;;;;;0.87;;-4.68;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM455957;MM455957;C#CC(C=CC1CC1)CC;VMXSXTBUXDQHBU-UHFFFAOYSA-N;134.22;2.61;;;;;DOPC;MDCG;27;0;"MARTINI bead: C2_SC5";;;;;;;3.6;;0.34;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM455958;MM455958;CCCNN=CCCOC;RDUYQSGGCUXIOS-UHFFFAOYSA-N;144.22;1.01;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nd_Na";;;;;;;0.87;;-1.88;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM455959;MM455959;C#CC(C=CC1CC1)CN;WVMZGKSJDUIGQF-UHFFFAOYSA-N;135.21;1.16;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_SC5";;;;;;;1.64;;-2.33;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM455960;MM455960;COCCC=NNCCN;WMBWHLXBXUMZOC-UHFFFAOYSA-N;145.21;-0.44;;;;;DOPC;MDCG;27;1;"MARTINI bead: Na_P2";;;;;;;-0.24;;-4.85;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM455961;MM455961;C=NNCC#CC(C)C;FUFCKMVKESHHRM-UHFFFAOYSA-N;124.19;0.85;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4_P2";;;;;;;1.09;;-0.38;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM455962;MM455962;CCCNN=CCOCC;JAFWHDUYTMSRAR-UHFFFAOYSA-N;144.22;1.01;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nd_Na";;;;;;;0.87;;-1.88;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM455963;MM455963;C#CC(C=CC1CC1)CF;SYJSYLVKIQMACL-UHFFFAOYSA-N;138.19;2.17;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_SC5";;;;;;;2.41;;0.64;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM455964;MM455964;CCCCC=NOCCC;WCEUENQTUCPSTK-UHFFFAOYSA-N;143.23;2.59;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1_C5";;;;;;;3.68;;0.46;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM455965;MM455965;CCCCC=NOCCN;KDCKRNFGIGCFRX-UHFFFAOYSA-N;144.22;1.14;;;;;DOPC;MDCG;27;1;"MARTINI bead: C1_P2";;;;;;;1.8;;-0.39;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM455966;MM455966;C#CC(C=CC1CC1)NC;ZKZANNIWPRSUNW-UHFFFAOYSA-N;135.21;1.17;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1_SC5";;;;;;;0.81;;-1.66;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM455967;MM455967;C#CC(C=CC1CC1)OC;SLLLQZHBMUPAOW-UHFFFAOYSA-N;136.19;1.6;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_SC5";;;;;;;1.64;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM455968;MM455968;N#CC1CN1N=CCF;CEBDEPNOAKLUMQ-UHFFFAOYSA-N;127.12;0.15;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_SP2";;;;;;;0.54;;-1.09;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM455969;MM455969;C#CC(C=CC1CN1)CN;GAXISKNAHDRUQJ-UHFFFAOYSA-N;136.2;-0.28;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_SP1";;;;;;;0.04;;-5.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM455970;MM455970;NCCON=CCCCF;ASYBITCZGNNJRS-UHFFFAOYSA-N;148.18;0.7;;;;;DOPC;MDCG;27;1;"MARTINI bead: P3_C4";;;;;;;0.23;;-2.47;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM455971;MM455971;C#CC(C=CC1CN1)NC;AJQHAEZKIMTDQF-UHFFFAOYSA-N;136.2;-0.26;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1_SP1";;;;;;;-0.79;;-4.31;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM455972;MM455972;CCCCC=NOCOC;XXZZFFWAVUTZJR-UHFFFAOYSA-N;145.2;1.78;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1_P1";;;;;;;2.08;;0.48;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM455973;MM455973;C#CC(C=CC1CO1)CC;SIXWJIYLHKCWRJ-UHFFFAOYSA-N;136.19;1.6;;;;;DOPC;MDCG;27;0;"MARTINI bead: C2_SNa";;;;;;;2.83;;0.35;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM455974;MM455974;CNCCC=NOCCO;JKFOWNHWXYPJHV-UHFFFAOYSA-N;146.19;-0.41;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_P2";;;;;;;-0.24;;-5.71;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM455975;MM455975;C#CC(C=CC1CO1)CN;GAVWAOXBIZAECA-UHFFFAOYSA-N;137.18;0.15;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_SNa";;;;;;;0.87;;-4.32;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM455976;MM455976;CCCON=CCNCC;JJFZHGRJNFTATI-UHFFFAOYSA-N;144.22;1.01;;;;;DOPC;MDCG;27;1;"MARTINI bead: Na_Nd";;;;;;;0.87;;-3.1;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM455977;MM455977;C#CC(C=CC1CO1)CF;PHDJVODMWHDKEQ-UHFFFAOYSA-N;140.16;1.16;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_SNa";;;;;;;1.64;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM455978;MM455978;CCNCC=NOCCN;PXLFSYOUOVYMSL-UHFFFAOYSA-N;145.21;-0.44;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_P2";;;;;;;-0.24;;-4.81;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM455979;MM455979;C#CC(C=CC1CO1)OC;VFCFPPJUQBCJGA-UHFFFAOYSA-N;138.17;0.59;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_SNa";;;;;;;0.87;;-2.22;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM455980;MM455980;CCCON=CCOCC;MFGPTXBGOVEGSU-UHFFFAOYSA-N;145.2;1.44;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_C5";;;;;;;1.64;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM455981;MM455981;C#CC(C=NN1CC1)CC;QMROIOHTKHLRNV-UHFFFAOYSA-N;136.2;0.95;;;;;DOPC;MDCG;27;0;"MARTINI bead: C2_SP3";;;;;;;0.86;;-0.3;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM455982;MM455982;CCOCC=NOCOC;HXAUROBAHNBRAC-UHFFFAOYSA-N;147.17;0.63;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_P2";;;;;;;0.54;;-1.09;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM455983;MM455983;C=CC(C=C)C=CC1CC1;QTNDBYSUMXJDJV-UHFFFAOYSA-N;134.22;2.94;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1_SC5";;;;;;;3.68;;0.46;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM455984;MM455984;CCCOC=NNCCN;DPHMSWQKGZUTBJ-UHFFFAOYSA-N;145.21;-0.1;;;;;DOPC;MDCG;27;1;"MARTINI bead: C3_P3";;;;;;;0.6;;-2.08;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM455985;MM455985;C=CC(C=O)C=CC1CC1;DLQYTIDXFFVQLP-UHFFFAOYSA-N;136.19;1.95;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_SC5";;;;;;;1.64;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM455986;MM455986;C#CC1CN1N=CCF;OKACDGPWVWYYBS-UHFFFAOYSA-N;126.13;0.26;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_SP2";;;;;;;0.54;;-1.09;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM455987;MM455987;C=CC(C#N)C=CC1CC1;YXMRZPPQHKTHCN-UHFFFAOYSA-N;133.19;2.28;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_SC5";;;;;;;2.41;;0.64;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM455988;MM455988;NCCNN=COCCN;QXDHKSVEIVLPRY-UHFFFAOYSA-N;146.19;-1.55;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1_P2";;;;;;;-1.06;;-5.76;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM455989;MM455989;N#CC(C#N)C=CC1CC1;TZSDZBNMVIZUMM-UHFFFAOYSA-N;132.17;1.62;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_SC5";;;;;;;0.81;;-0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM455990;MM455990;NCCOC=NNCCO;AQHISQZCYVAASI-UHFFFAOYSA-N;147.18;-1.51;;;;;DOPC;MDCG;27;1;"MARTINI bead: P2_P1";;;;;;;-1.06;;-5.65;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM455991;MM455991;C=CN(C=N)C=CC1CC1;QPPLJKNBRXBYTM-UHFFFAOYSA-N;136.2;1.96;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1_SC5";;;;;;;0.81;;-4;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM455992;MM455992;CCC(C)(O)CC(C)(C)C;HGGJNDQMXCTKCR-UHFFFAOYSA-N;144.26;2.58;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_C3";;;;;;;3.34;;0.48;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM455993;MM455993;C=CN(C=O)C=CC1CC1;RHGGFQCEMFFBSJ-UHFFFAOYSA-N;137.18;1.51;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_SC5";;;;;;;0.54;;-1.09;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM455994;MM455994;CCC(C(C)C)C(C)(C)O;FFGVTNKOUMZOGW-UHFFFAOYSA-N;144.26;2.44;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1_Nda";;;;;;;2.91;;0.57;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM455995;MM455995;N=CN(C=N)C=CC1CC1;IFXPLRBYEFCBSE-UHFFFAOYSA-N;137.19;1.43;;;;;DOPC;MDCG;27;1;"MARTINI bead: P2_SC5";;;;;;;0.54;;-2.75;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM455996;MM455996;COCOC=NNCCN;VKVGVFTWHMTRMA-UHFFFAOYSA-N;147.18;-0.9;;;;;DOPC;MDCG;27;1;"MARTINI bead: P2_P1";;;;;;;-1.06;;-5.14;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM455997;MM455997;N=CN(C=O)C=CC1CC1;UKDIINYMPQERLR-UHFFFAOYSA-N;138.17;0.98;;;;;DOPC;MDCG;27;0;"MARTINI bead: P3_SC5";;;;;;;-0.33;;-2.01;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM455998;MM455998;CCCCC(C)(O)C(C)C;JIEGVNXCNNWVPH-UHFFFAOYSA-N;144.26;2.58;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1_Nda";;;;;;;2.91;;0.57;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM455999;MM455999;O=CN(C=O)C=CC1CC1;CNHNCAIXKVDPQE-UHFFFAOYSA-N;139.15;0.52;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_SC5";;;;;;;0.54;;-1.09;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM456000;MM456000;NCCOC=NOCCN;IUISYDNDMGSTGF-UHFFFAOYSA-N;147.18;-1.12;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1_P3";;;;;;;-1.93;;-6.81;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM456001;MM456001;C=NN(C=N)C=CC1CC1;LCFNVLBVFGPHEY-UHFFFAOYSA-N;137.19;1.43;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_SC5";;;;;;;0.54;;-1.09;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM456002;MM456002;NCCOC=NOCCO;ATPIIAFJJNLREK-UHFFFAOYSA-N;148.16;-1.09;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1_P3";;;;;;;-1.93;;-6.72;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM456003;MM456003;C=NN(C=O)C=CC1CC1;MUDRTFJAZAPHCN-UHFFFAOYSA-N;138.17;0.98;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_SC5";;;;;;;0.54;;-1.09;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM456004;MM456004;CCCC(C)C(C)(O)CC;IEFPDHUQALBABU-UHFFFAOYSA-N;144.26;2.58;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1_Nda";;;;;;;2.91;;0.57;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM456005;MM456005;C=CN(C=N)N=CC1CC1;CDTPYASPTGFSJT-UHFFFAOYSA-N;137.19;1.43;;;;;DOPC;MDCG;27;0;"MARTINI bead: P3_SC5";;;;;;;-0.33;;-2.01;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM456006;MM456006;CCC(=O)N=C(C)N(C)N;GUJZLTPRSBYNMF-UHFFFAOYSA-N;143.19;0.15;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_P2";;;;;;;0.54;;-1.09;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM456007;MM456007;C=CN(C=O)N=CC1CC1;GUCMEWFQAXCUQP-UHFFFAOYSA-N;138.17;0.98;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_SC5";;;;;;;0.54;;-1.09;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM456008;MM456008;NCCON=COCCF;YLCSQOKLILZWOV-UHFFFAOYSA-N;150.15;-0.11;;;;;DOPC;MDCG;27;1;"MARTINI bead: P3_C5";;;;;;;-0.33;;-3.46;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM456009;MM456009;N=CN(C=N)N=CC1CC1;KGAPGMLSHARMLU-UHFFFAOYSA-N;138.17;0.9;;;;;DOPC;MDCG;27;0;"MARTINI bead: P3_SC5";;;;;;;-0.33;;-2.01;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM456010;MM456010;C=CCN(C)C=CC(C)=O;HBXVHCNFRDZKJZ-UHFFFAOYSA-N;139.2;1.21;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nd_Na";;;;;;;0.87;;-1.88;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM456011;MM456011;O=CN(C=O)N=CC1CC1;HRTNWNSUGSKZRJ-UHFFFAOYSA-N;140.14;;;;;;DOPC;MDCG;27;0;"MARTINI bead: P3_SC5";;;;;;;-0.33;;-2.01;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM456012;MM456012;COCON=COCCN;HREJVRUPEWLCAW-UHFFFAOYSA-N;148.16;-0.47;;;;;DOPC;MDCG;27;1;"MARTINI bead: P2_P2";;;;;;;-1.34;;-6.33;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM456013;MM456013;C=CN(C=C)C=NC1CC1;WQBLDVHJTCPYBM-UHFFFAOYSA-N;136.2;1.77;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_SP1";;;;;;;0.04;;-4.98;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM456014;MM456014;C=CCCC=CCCCC;CNCHKZTUPHZPHA-UHFFFAOYSA-N;138.25;3.7;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1_C3";;;;;;;4.61;;0.31;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM456015;MM456015;C=CN(C=N)C=NC1CC1;SDNYERKSUIWKLV-UHFFFAOYSA-N;137.19;1.23;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1_SP1";;;;;;;-0.79;;-4.53;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM456016;MM456016;C=CCCC=CCCCN;SFFGWWUBOSEEIK-UHFFFAOYSA-N;139.24;2.25;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_C1";;;;;;;2.91;;-0.55;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM456017;MM456017;C=CN(C=O)C=NC1CC1;YJQBDMRMXAMGLD-UHFFFAOYSA-N;138.17;0.78;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_SP1";;;;;;;-1.06;;-3.82;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM456018;MM456018;CCC=C(F)CC(C)=NN;WBBSNVREHFTGEB-UHFFFAOYSA-N;144.19;1.97;;;;;DOPC;MDCG;27;0;"MARTINI bead: C3_Nd";;;;;;;2.57;;0.53;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM456019;MM456019;N=CN(C=O)C=NC1CC1;KFWLPXCNFLIMFB-UHFFFAOYSA-N;139.16;0.24;;;;;DOPC;MDCG;27;0;"MARTINI bead: P3_SP1";;;;;;;-1.93;;-4.72;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM456020;MM456020;O=CCCC=CCCCF;SGLINYDRBXBARE-UHFFFAOYSA-N;144.19;2.27;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4_C5";;;;;;;2.97;;0.45;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM456021;MM456021;O=CN(C=O)C=NC1CC1;STDRSSAOZRZJAV-UHFFFAOYSA-N;140.14;-0.21;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_SP1";;;;;;;-1.06;;-3.82;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM456022;MM456022;N#CCCC=CCCCF;YXCSZSOICZYJGZ-UHFFFAOYSA-N;141.19;2.6;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4_N0";;;;;;;2.5;;0.44;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM456023;MM456023;C=CN(C=NC1CC1)N=C;CCTXUTGZZTYGHT-UHFFFAOYSA-N;137.19;1.24;;;;;DOPC;MDCG;27;0;"MARTINI bead: N0_SP1";;;;;;;0.34;;-1.53;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM456024;MM456024;C=CCCC=CCCNC;QMIDEWLHYIFQHD-UHFFFAOYSA-N;139.24;2.12;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_C1";;;;;;;2.91;;-0.8;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM456025;MM456025;C=NN(C=N)C=NC1CC1;DPSBATDSOGBBRK-UHFFFAOYSA-N;138.17;0.7;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_SP1";;;;;;;-1.06;;-3.82;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM456026;MM456026;CNCCC=CCCC=O;PMVXPTCVGNLHOZ-UHFFFAOYSA-N;141.21;1.13;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_C5";;;;;;;1.64;;-2.85;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM456027;MM456027;C=NN(C=O)C=NC1CC1;SGEMDNQBMVBUSI-UHFFFAOYSA-N;139.16;0.25;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_SP1";;;;;;;-1.06;;-3.82;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM456028;MM456028;CNCCC=CCCC#N;ZZPLHRBRIJOJPL-UHFFFAOYSA-N;138.21;1.46;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_N0";;;;;;;1.17;;-4.1;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM456029;MM456029;C=CN(C=N)C=CC1CN1;BMWKJPNQYVRNOW-UHFFFAOYSA-N;137.19;0.52;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1_SP1";;;;;;;-0.79;;-6.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM456030;MM456030;COCCC=CCCC#N;PDMZFTBXDWZAQI-UHFFFAOYSA-N;139.2;1.88;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_N0";;;;;;;1.17;;-1.18;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM456031;MM456031;N=CN(C=N)C=CC1CN1;HSBAOGRLYZOESK-UHFFFAOYSA-N;138.17;-0.01;;;;;DOPC;MDCG;27;1;"MARTINI bead: P2_SP1";;;;;;;-1.06;;-5.36;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM456032;MM456032;C=NNCC=CCCCF;SXWLIOOFNSMDSW-UHFFFAOYSA-N;144.19;1.5;;;;;DOPC;MDCG;27;0;"MARTINI bead: C3_P2";;;;;;;1.46;;-0.15;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM456033;MM456033;C=CN(C=O)N=CC1CN1;KRIHNAFHBZRLOT-UHFFFAOYSA-N;139.16;-0.45;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_SP1";;;;;;;-1.06;;-3.82;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM456034;MM456034;CNCCC=CCNC=O;WLHMFOZDKUVSLQ-UHFFFAOYSA-N;142.2;-0.1;;;;;DOPC;MDCG;27;1;"MARTINI bead: C4_P3";;;;;;;0.23;;-4.02;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM456035;MM456035;C=CC(C=C)C=CC1CO1;KYBKMODYCGXJAS-UHFFFAOYSA-N;136.19;1.93;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1_SNa";;;;;;;2.91;;0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM456036;MM456036;C=CC(C=O)C=CC1CO1;DVQWWGLHQTWSBN-UHFFFAOYSA-N;138.17;0.94;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_SNa";;;;;;;0.87;;-2.22;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM456037;MM456037;C=CCCC=CCNCC;CNOSZWUEHLJMNL-UHFFFAOYSA-N;139.24;2.12;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_C1";;;;;;;2.91;;-0.22;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM456038;MM456038;C=CC(C#N)C=CC1CO1;CWRZVOTVDZAKOU-UHFFFAOYSA-N;135.17;1.27;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_SNa";;;;;;;1.64;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM456039;MM456039;CCNCC=CCCC=O;BOPXZEKXBNWSRD-UHFFFAOYSA-N;141.21;1.13;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_C5";;;;;;;1.64;;-2.21;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM456040;MM456040;O=CC(C=O)C=CC1CO1;NWFRNGBELLHEQK-UHFFFAOYSA-N;140.14;-0.04;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_SNa";;;;;;;0.87;;-2.22;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM456041;MM456041;C=CCCC=CCOCC;JLNAIGIBNFCISJ-UHFFFAOYSA-N;140.23;2.55;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_C1";;;;;;;2.91;;0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM456042;MM456042;O=CN(C=O)C=CC1CO1;UDWARWHASJBTSR-UHFFFAOYSA-N;141.13;-0.49;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_SNa";;;;;;;-0.24;;-3.24;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM456043;MM456043;C=CCOC=CCCCC;GPVVHIWDPFCOJS-UHFFFAOYSA-N;140.23;2.89;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1_C4";;;;;;;4.24;;0.42;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM456044;MM456044;C=CC#CCC(C)ON=C;YARHEOIHOJOLJK-UHFFFAOYSA-N;137.18;1.59;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4_Na";;;;;;;2.2;;0.34;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM456045;MM456045;C=NN(C=N)C=CC1CO1;OHIATNLAMXFCKT-UHFFFAOYSA-N;139.16;0.42;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_SNa";;;;;;;-0.24;;-3.24;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM456046;MM456046;O=CCOC=CCCCF;LRKQZDQNDZEFRL-UHFFFAOYSA-N;146.16;1.47;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4_P1";;;;;;;1.37;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM456047;MM456047;C=NN(C=O)C=CC1CO1;QWCXKDZIFWSTPC-UHFFFAOYSA-N;140.14;-0.03;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_SNa";;;;;;;-0.24;;-3.24;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM456048;MM456048;C=CCOC=CCCOC;CLWPNMZBWNLOCV-UHFFFAOYSA-N;142.2;1.74;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_C4";;;;;;;2.2;;0.34;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM456049;MM456049;O=CN(C=O)N=CC1CO1;RIBIVMGHXFTDJT-UHFFFAOYSA-N;142.11;-1.01;;;;;DOPC;MDCG;27;0;"MARTINI bead: P3_SNa";;;;;;;-1.1;;-4.2;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM456050;MM456050;COCCC=COCC#N;VVOJVRVSUZNZQT-UHFFFAOYSA-N;141.17;1.08;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_Na";;;;;;;0.87;;-2.22;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM456051;MM456051;CCON=C(C)NOC;HXXBPGLNPAOFEE-UHFFFAOYSA-N;132.16;0.51;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_P2";;;;;;;0.54;;-1.09;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM456052;MM456052;CCNCC=COCC#N;XXZMKEFQOBDZEX-UHFFFAOYSA-N;140.19;0.65;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_Na";;;;;;;0.87;;-4.05;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM456053;MM456053;COC(C(=O)O)=C(F)C#N;JSMQAUQISSNFRR-UHFFFAOYSA-N;145.09;0.42;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_C5";;;;;;;0.81;;-6.28;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM456054;MM456054;CCOCC=COCC#N;XWDMKSJQDDJPKT-UHFFFAOYSA-N;141.17;1.08;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_Na";;;;;;;0.87;;-2.22;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM456055;MM456055;C=CC(C=C)C=NN1CC1;HTSRZFTYCRQCFI-UHFFFAOYSA-N;136.2;1.28;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1_SP3";;;;;;;0.94;;0.03;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM456056;MM456056;C=CCCC=COCCC;FHOQCXNXRBGHCJ-UHFFFAOYSA-N;140.23;2.89;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4_C3";;;;;;;3.9;;0.47;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM456057;MM456057;C=CC1CC(CF)=NN1;KFONBYBMCOWLTO-UHFFFAOYSA-N;128.15;0.86;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP1_SNd";;;;;;;0.04;;-2.63;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM456058;MM456058;CCCOC=CCCC=O;VOKDASYZQIXSRJ-UHFFFAOYSA-N;142.2;1.91;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_C5";;;;;;;1.64;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM456059;MM456059;C=CC(C#N)C=NN1CC1;JLPZVBNLWWVEFS-UHFFFAOYSA-N;135.17;0.61;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_SP3";;;;;;;-0.33;;-2.01;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM456060;MM456060;N#CCCC=COCCF;BFPAZWMNKZKITA-UHFFFAOYSA-N;143.16;1.79;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_N0";;;;;;;1.17;;-1.18;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM456061;MM456061;C=CC1CN=C(C=O)N1;DCRDICGBVVPFBY-UHFFFAOYSA-N;124.14;-0.26;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP1_SP2";;;;;;;-1.06;;-3.82;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM456062;MM456062;NCCOC=CCNC=O;BIHSXSVKTJREGJ-UHFFFAOYSA-N;144.17;-0.78;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1_P3";;;;;;;-1.93;;-6.72;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM456063;MM456063;Nn1nn[nH]c1=NO;YEKQRBKAFMXQCW-UHFFFAOYSA-N;116.08;-2.39;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP2_SP3";;;;;;;-2.2;;-9.64;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM456064;MM456064;O=CNCC=COCCO;QJEMDWGVEZOBAB-UHFFFAOYSA-N;145.16;-0.75;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_P1";;;;;;;-1.06;;-3.82;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM456065;MM456065;C=CN(C=O)N=CN1CC1;RUCFHBAQEVDBIR-UHFFFAOYSA-N;139.16;-0.15;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_SP1";;;;;;;-1.06;;-3.82;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM456066;MM456066;C=NNCC=COCCC;HFULDBLLHZQPJV-UHFFFAOYSA-N;142.2;1.13;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4_P2";;;;;;;1.09;;-0.38;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM456067;MM456067;N=CN(C=O)N=CN1CC1;ZOMIBRUECYJLGY-UHFFFAOYSA-N;140.15;-0.69;;;;;DOPC;MDCG;27;0;"MARTINI bead: P4_SP1";;;;;;;-2.01;;-5.13;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM456068;MM456068;NCCOC=CCOC=O;UKAMPJLJBASREU-UHFFFAOYSA-N;145.16;-0.35;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1_P1";;;;;;;-0.79;;-5.16;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM456069;MM456069;O=CN(C=O)N=CN1CC1;FGGHXGXLZUVZCO-UHFFFAOYSA-N;141.13;-1.14;;;;;DOPC;MDCG;27;0;"MARTINI bead: P3_SP1";;;;;;;-1.93;;-4.72;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM456070;MM456070;C=COCC=COCCO;BFAZREXJCBGAAN-UHFFFAOYSA-N;144.17;0.67;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_C5";;;;;;;0.54;;-1.09;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM456071;MM456071;C=CN(C=O)C=NN1CC1;FYWQABFIPFSNPP-UHFFFAOYSA-N;139.16;-0.15;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_SP3";;;;;;;-2.2;;-5.19;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM456072;MM456072;C=NOCC=COCCC;KRQJNFVKTLTBCW-UHFFFAOYSA-N;143.19;1.56;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4_P1";;;;;;;1.37;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM456073;MM456073;N=CN(C=N)C=NN1CC1;NMBWYPKGYBDJCK-UHFFFAOYSA-N;139.16;-0.24;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_SP3";;;;;;;-2.2;;-5.19;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM456074;MM456074;C=NOCC=COCCF;FVCKHISGXSOFBJ-UHFFFAOYSA-N;147.15;1.12;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_Na";;;;;;;0.87;;-2.22;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM456075;MM456075;N=CN(C=O)C=NN1CC1;ILMDBJSYVLWDMG-UHFFFAOYSA-N;140.15;-0.69;;;;;DOPC;MDCG;27;0;"MARTINI bead: P3_SP3";;;;;;;-3.07;;-6.15;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM456076;MM456076;C=CCOC=COCCN;UDPZDSVGWOPXJG-UHFFFAOYSA-N;143.19;0.64;;;;;DOPC;MDCG;27;1;"MARTINI bead: P3_C4";;;;;;;0.23;;-3.03;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM456077;MM456077;O=CN(C=O)C=NN1CC1;LCGWTAIBSNVFOD-UHFFFAOYSA-N;141.13;-1.14;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_SP3";;;;;;;-2.2;;-5.19;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM456078;MM456078;C=CCOC=COCCF;ORXWGEXPYVFUPF-UHFFFAOYSA-N;146.16;1.65;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_Na";;;;;;;0.87;;-2.22;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM456079;MM456079;C=CN(C=NN1CC1)N=C;LNZDFZATXGVOBP-UHFFFAOYSA-N;138.17;0.31;;;;;DOPC;MDCG;27;0;"MARTINI bead: N0_SP3";;;;;;;-0.8;;-2.99;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM456080;MM456080;O=CCOC=COCCF;ADHSUGVUFUNVNS-UHFFFAOYSA-N;148.13;0.66;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_P2";;;;;;;0.54;;-1.09;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM456081;MM456081;C=NN(C=N)C=NN1CC1;MUSNRQKAJJMRJH-UHFFFAOYSA-N;139.16;-0.23;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_SP3";;;;;;;-2.2;;-5.19;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM456082;MM456082;N#CCOC=COCCF;HKEASGYVBUYGRN-UHFFFAOYSA-N;145.13;0.98;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_P1";;;;;;;0.81;;-0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM456083;MM456083;C=NN(C=O)C=NN1CC1;ATFRIPZHOQXPDO-UHFFFAOYSA-N;140.15;-0.68;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_SP3";;;;;;;-2.2;;-5.19;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM456084;MM456084;CCOC(N)=C(F)C=NN;WKHBQTDVEFEXIF-UHFFFAOYSA-N;147.15;0.06;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_P1";;;;;;;0.81;;-0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM456085;MM456085;C#CC(C=C)C=CC1CC1;AMDDECZPQXXRMJ-UHFFFAOYSA-N;132.21;2.39;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4_SC5";;;;;;;2.97;;0.45;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM456086;MM456086;C=CCNN=CCCCF;CKXRTPCEPXHOBO-UHFFFAOYSA-N;144.19;1.5;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4_P2";;;;;;;1.09;;-0.38;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM456087;MM456087;C#CC(C=O)C=CC1CC1;FUQVABGSSHCBGE-UHFFFAOYSA-N;134.18;1.4;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_SC5";;;;;;;1.64;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM456088;MM456088;CCOC(=NOC)C(F)F;MDSGWBACSJEIFF-UHFFFAOYSA-N;153.13;1.25;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_N0";;;;;;;1.17;;-1.18;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM456089;MM456089;C#CC(C#N)C=CC1CC1;PNFLQJIISRMYEE-UHFFFAOYSA-N;131.18;1.73;;;;;DOPC;MDCG;27;0;"MARTINI bead: N0_SC5";;;;;;;1.94;;0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM456090;MM456090;C=CCNN=CCCOC;INQNKQLJBPMQRB-UHFFFAOYSA-N;142.2;0.78;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_Nd";;;;;;;0.87;;-1.88;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM456091;MM456091;C#CC(C=C)C=CC1CO1;LILOCGQBPHQDPX-UHFFFAOYSA-N;134.18;1.38;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4_SNa";;;;;;;2.2;;0.34;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM456092;MM456092;C=CCNN=CCOCC;UUQIIIIMQBNTSI-UHFFFAOYSA-N;142.2;0.78;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_Nd";;;;;;;0.87;;-1.88;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM456093;MM456093;C#CC(C#N)C=CC1CO1;ZVINAPVOLFOCTG-UHFFFAOYSA-N;133.15;0.71;;;;;DOPC;MDCG;27;0;"MARTINI bead: N0_SNa";;;;;;;1.17;;-1.18;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM456094;MM456094;C=CCON=CCCCC;OUCXAYYRKWKFPA-UHFFFAOYSA-N;141.21;2.37;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1_C5";;;;;;;3.68;;0.46;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM456095;MM456095;C#CC(C=C)C=NN1CC1;KWSOMEWBVZMYPW-UHFFFAOYSA-N;134.18;0.72;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4_SP3";;;;;;;0.23;;-1.03;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM456096;MM456096;CC=CC(C(C)=O)=C(N)N;PXYHZRZLTLSDHH-UHFFFAOYSA-N;140.19;0.28;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_P2";;;;;;;0.54;;-1.09;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM456097;MM456097;C#CC(C#C)C=CC1CC1;LRQQKQDPTFDCRZ-UHFFFAOYSA-N;130.19;1.84;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_SC5";;;;;;;2.41;;0.64;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM456098;MM456098;CCCCC=NOCC#N;ALWSMBYJAVSRSG-UHFFFAOYSA-N;140.19;1.7;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1_P2";;;;;;;1.8;;0.4;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM456099;MM456099;C#CC(C#C)C=CC1CO1;PLYWQTKOXXEBDY-UHFFFAOYSA-N;132.16;0.82;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_SNa";;;;;;;1.64;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM456100;MM456100;CCCCC(O)(CC)CC;XKRZDNKKANUBPV-UHFFFAOYSA-N;144.26;2.73;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1_C5";;;;;;;3.68;;0.46;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM456101;MM456101;CC=C(C=CC1CC1)CC;JBCWNSDXOHMYKP-UHFFFAOYSA-N;136.24;3.31;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1_SC5";;;;;;;3.68;;0.46;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM456102;MM456102;CCNCC=NOCC=O;ZWMRSGAKCGXHIJ-UHFFFAOYSA-N;144.17;-0.2;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_P1";;;;;;;0.04;;-3.75;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM456103;MM456103;CCC(C=CC1CC1)=CF;POXLASSXBZCTDB-UHFFFAOYSA-N;140.2;3.22;;;;;DOPC;MDCG;27;0;"MARTINI bead: C2_SC5";;;;;;;3.6;;0.34;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM456104;MM456104;C=CCON=CCOCC;YETOVTYQOYFWGI-UHFFFAOYSA-N;143.19;1.21;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_Na";;;;;;;1.64;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM456105;MM456105;CC=C(C=CC1CC1)CN;CZGVFBOTDDXAFE-UHFFFAOYSA-N;137.23;1.86;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_SC5";;;;;;;1.64;;-2.1;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM456106;MM456106;CCOCC=NOCC#N;FEDAZCIKXYVRKA-UHFFFAOYSA-N;142.16;0.55;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_Na";;;;;;;0.87;;-2.22;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM456107;MM456107;NCC(C=CC1CC1)=CF;SKUYUEDVXDGAIA-UHFFFAOYSA-N;141.19;1.76;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1_SC5";;;;;;;0.81;;-2.61;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM456108;MM456108;CN=C(C#N)NC=C(C)F;ZPMWOAHEDSYZAO-UHFFFAOYSA-N;141.15;0.96;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_C5";;;;;;;0.54;;-1.09;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM456109;MM456109;CC=C(C=CC1CC1)CO;LOPXKAFZOHMGAW-UHFFFAOYSA-N;138.21;1.89;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_SC5";;;;;;;2.41;;0.64;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM456110;MM456110;CN(C=O)C(=O)C(=N)NN;FLSAATXULBDUDG-UHFFFAOYSA-N;144.13;-1.96;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_P4";;;;;;;-2.29;;-5.95;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM456111;MM456111;OCC(C=CC1CC1)=CF;MDYFXOIMVCABDL-UHFFFAOYSA-N;142.17;1.8;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda_SC5";;;;;;;1.64;;0.05;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM456112;MM456112;CCC(=O)C(N)=C(N)C#N;KKAHNRRFLASSRC-UHFFFAOYSA-N;139.16;-0.38;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_P2";;;;;;;-0.24;;-3.24;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM456113;MM456113;CCC(C=CC1CC1)=NN;PZXPHORNKUCBRO-UHFFFAOYSA-N;138.21;1.68;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_SC5";;;;;;;2.41;;0.64;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM456114;MM456114;C=NN=CC(F)=C(N)OC;VUESNKAYBKDANI-UHFFFAOYSA-N;145.14;0.42;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda_N0";;;;;;;1.17;;-1.13;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM456115;MM456115;C=NNCC#CCCC;WLXCAPUBTTWMGW-UHFFFAOYSA-N;124.19;1;;;;;DOPC;MDCG;27;0;"MARTINI bead: C3_P2";;;;;;;1.46;;-0.15;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM456116;MM456116;CCCOC=NOCC#N;CRQDYYHFGLQFQQ-UHFFFAOYSA-N;142.16;0.9;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_Na";;;;;;;0.87;;-2.22;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM456117;MM456117;NCC(C=CC1CC1)=NO;BUVIXKBJDAQZFB-UHFFFAOYSA-N;140.19;0.74;;;;;DOPC;MDCG;27;1;"MARTINI bead: P2_SC5";;;;;;;0.54;;-2.37;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM456118;MM456118;CON=CNOC(=O)C=O;DABXRRWDXZVDDD-UHFFFAOYSA-N;146.1;-1.18;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_P2";;;;;;;-1.06;;-3.82;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM456119;MM456119;C=NNCC1OC1C#N;KAMXGFPOEZTRHX-UHFFFAOYSA-N;125.13;-0.52;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_SP1";;;;;;;-1.06;;-3.82;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM456120;MM456120;N#CCON=COCCF;HZFFQLUPFCGGAL-UHFFFAOYSA-N;146.12;0.46;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_P2";;;;;;;0.54;;-1.09;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM456121;MM456121;OCC(C=CC1CC1)=NO;JKLWUKHDYXPOTN-UHFFFAOYSA-N;141.17;0.78;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_SC5";;;;;;;0.54;;-1.09;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM456122;MM456122;CON=C(C=O)C(F)=CN;YQDTVBLPTYNUCO-UHFFFAOYSA-N;146.12;-0.04;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_Nda";;;;;;;0.04;;-2.73;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM456123;MM456123;CN=C(C=CC1CC1)NC;SYYRKIXLCJJNAI-UHFFFAOYSA-N;138.21;1.2;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_SC5";;;;;;;1.64;;-4.28;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM456124;MM456124;CCCNN=CCCC#N;MABYGMNCZUCNTF-UHFFFAOYSA-N;139.2;1.28;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nd_N0";;;;;;;1.17;;-1.04;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM456125;MM456125;CN=C(C=CC1CC1)NN;YBCMHVLVBCWDOX-UHFFFAOYSA-N;139.2;0.44;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_SC5";;;;;;;1.64;;-2.66;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM456126;MM456126;CON=C(COC=O)NN;VPEKSLOKGUFLFK-UHFFFAOYSA-N;147.13;-1.42;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_P1";;;;;;;-0.79;;-3.13;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM456127;MM456127;CN=C(C=CC1CC1)NO;ZTZLYNFQNHZIPQ-UHFFFAOYSA-N;140.19;0.96;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nda_SC5";;;;;;;1.64;;-1.44;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM456128;MM456128;CC=NOC(=NCC)NN;JNVZTOABJYXZQY-UHFFFAOYSA-N;144.18;-0.15;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_P1";;;;;;;0.81;;-0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM456129;MM456129;CC=C(C=CC1CC1)OC;GQEJNIYQZMYZCP-UHFFFAOYSA-N;138.21;2.5;;;;;DOPC;MDCG;27;0;"MARTINI bead: C3_SC5";;;;;;;3.34;;0.48;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM456130;MM456130;NCCNN=CCNC=O;QXQOULAHEVJZPH-UHFFFAOYSA-N;144.18;-1.73;;;;;DOPC;MDCG;27;1;"MARTINI bead: P4_P1";;;;;;;-2.01;;-6.71;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM456131;MM456131;COC(C=CC1CC1)=CF;XYOIJFWEDOLSLK-UHFFFAOYSA-N;142.17;2.41;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_SC5";;;;;;;2.41;;0.64;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM456132;MM456132;C=NNCC=NNCCF;HRSZYJAPMQVPLW-UHFFFAOYSA-N;146.17;-0.26;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda_P1";;;;;;;0.04;;-2.73;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM456133;MM456133;COC(C=CC1CC1)=NO;MEEFUODOCCDJHM-UHFFFAOYSA-N;141.17;1.39;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda_SC5";;;;;;;1.64;;0.05;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM456134;MM456134;CCCNN=CCOC=O;ONYFQSSWCVSGBM-UHFFFAOYSA-N;144.17;0.14;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nd_Na";;;;;;;0.87;;-1.88;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM456135;MM456135;CC=C(C=CC1CN1)CN;HMOQPCYIXJREFQ-UHFFFAOYSA-N;138.21;0.42;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_SP1";;;;;;;0.04;;-4.83;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM456136;MM456136;C=COCC=NNCCF;PHEPYZNAPJMJSN-UHFFFAOYSA-N;146.17;0.69;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_C5";;;;;;;0.54;;-1.09;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM456137;MM456137;NCC(C=CC1CN1)=CF;QEWYANMREGVUKO-UHFFFAOYSA-N;142.18;0.33;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1_SP1";;;;;;;-0.79;;-5.26;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM456138;MM456138;O=COCC=NNCCF;GNMZKNODTLQYMT-UHFFFAOYSA-N;148.14;-0.3;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda_P1";;;;;;;0.04;;-2.73;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM456139;MM456139;NCC(C=CC1CN1)=NO;DRJFHGXKPOXVPT-UHFFFAOYSA-N;141.17;-0.7;;;;;DOPC;MDCG;27;1;"MARTINI bead: P2_SP1";;;;;;;-1.06;;-5.09;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM456140;MM456140;C=NOCC=NNCCC;QMULBEYBKCMEOA-UHFFFAOYSA-N;143.19;0.6;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nd_Na";;;;;;;0.87;;-1.88;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM456141;MM456141;CN=C(C=CC1CN1)NC;AHTYOHOHWGLZFJ-UHFFFAOYSA-N;139.2;-0.24;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_SP1";;;;;;;0.04;;-6.86;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM456142;MM456142;C=CC=C(C#N)C=NNC;CFQJPSBTAYMJPZ-UHFFFAOYSA-N;135.17;0.83;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_C5";;;;;;;0.54;;-1.09;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM456143;MM456143;CN=C(C=CC1CN1)NN;JLLHICUXDNKDTQ-UHFFFAOYSA-N;140.19;-0.99;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_SP1";;;;;;;0.04;;-5.25;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM456144;MM456144;C=NN1CC1C(=O)C(C)C;JIOJXXNHDXSSLG-UHFFFAOYSA-N;140.19;0.51;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_SP2";;;;;;;-0.24;;-3.24;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM456145;MM456145;CC=C(C=CC1CO1)CC;ZKZIGKNGRWVQKQ-UHFFFAOYSA-N;138.21;2.3;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1_SNa";;;;;;;2.91;;0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM456146;MM456146;C=C(C(C)=O)C1CN1C=O;CIUPBWOTQLUWDS-UHFFFAOYSA-N;139.15;-0.03;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_SP2";;;;;;;-0.24;;-3.24;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM456147;MM456147;CC=C(C=CC1CO1)CN;NAHDZABSRFTDDU-UHFFFAOYSA-N;139.2;0.85;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_SNa";;;;;;;0.87;;-4.09;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM456148;MM456148;O=CNOC=NNCCO;MBFUMJQKWWSUIO-UHFFFAOYSA-N;147.13;-1.81;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_P3";;;;;;;-1.93;;-4.72;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM456149;MM456149;NCC(C=CC1CO1)=NO;CEQWAHORKAHKEN-UHFFFAOYSA-N;142.16;-0.27;;;;;DOPC;MDCG;27;1;"MARTINI bead: P2_SNa";;;;;;;-0.24;;-4.38;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM456150;MM456150;N=CNCC=NOCCN;HFFJFQGKGKAHQA-UHFFFAOYSA-N;144.18;-0.86;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1_P3";;;;;;;-1.93;;-8.16;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM456151;MM456151;CN=C(C=CC1CO1)NC;GBGPWEWHDSKSRC-UHFFFAOYSA-N;140.19;0.19;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_SNa";;;;;;;0.87;;-6.03;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM456152;MM456152;CCC(=O)C(C)C1CN1C;LBRKORMJWOFGAW-UHFFFAOYSA-N;141.21;0.92;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_SP1";;;;;;;0.81;;-0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM456153;MM456153;CC=C(C=CC1CO1)OC;PBSPGNHYGNCTSR-UHFFFAOYSA-N;140.18;1.49;;;;;DOPC;MDCG;27;0;"MARTINI bead: C3_SNa";;;;;;;2.57;;0.45;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM456154;MM456154;C=NNCC=NOCCC;CQQWULOOYNNADX-UHFFFAOYSA-N;143.19;0.6;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_P2";;;;;;;0.54;;-1.09;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM456155;MM456155;COC(C=CC1CO1)=CF;WUXXPYHWJDPECF-UHFFFAOYSA-N;144.15;1.4;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_SNa";;;;;;;1.64;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM456156;MM456156;C=NNCC=NOCCF;LQVGBUKHQLTXJH-UHFFFAOYSA-N;147.15;0.16;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_Nd";;;;;;;0.04;;-2.63;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM456157;MM456157;NCC(C=CN1CC1)=NO;ZIJXBMBKFGIPKB-UHFFFAOYSA-N;141.17;-0.4;;;;;DOPC;MDCG;27;1;"MARTINI bead: P2_SP1";;;;;;;-1.06;;-5.03;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM456158;MM456158;C=COCC=NOCCN;DUUYNKMAHBYZIB-UHFFFAOYSA-N;144.17;0.11;;;;;DOPC;MDCG;27;1;"MARTINI bead: P2_Na";;;;;;;-0.24;;-4.69;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM456159;MM456159;CN=C(C=CN1CC1)NC;ORYVVEMNKHDJEN-UHFFFAOYSA-N;139.2;0.06;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_SP1";;;;;;;0.04;;-6.71;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM456160;MM456160;C=COCC=NOCCF;WJBZBYDHVVMCHU-UHFFFAOYSA-N;147.15;1.12;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_Na";;;;;;;0.87;;-2.22;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM456161;MM456161;CN=C(C=CN1CC1)NN;LHUJBFMGCRZELP-UHFFFAOYSA-N;140.19;-0.69;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_SP1";;;;;;;0.04;;-5.09;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM456162;MM456162;C=NOCC=NOCCN;YTBMRQPPHOTVIH-UHFFFAOYSA-N;145.16;-0.42;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1_P1";;;;;;;-0.79;;-4.59;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM456163;MM456163;CN=C(C=CN1CC1)NO;FOPVTBLNODQOTN-UHFFFAOYSA-N;141.17;-0.18;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nda_SP1";;;;;;;0.04;;-3.97;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM456164;MM456164;C=COCC=NOCOC;NQOBJHZLVVHSQP-UHFFFAOYSA-N;145.16;0.75;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_C5";;;;;;;0.54;;-1.09;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM456165;MM456165;CC(C)(C=O)N=C(N)C=O;XOBADHZWDMBUQV-UHFFFAOYSA-N;142.16;-0.48;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_Nda";;;;;;;-0.24;;-3.31;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM456166;MM456166;NN=C(CF)CC#CCF;SKGMPQKMTQCMFN-UHFFFAOYSA-N;146.14;0.63;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda_Na";;;;;;;0.87;;-1.99;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM456167;MM456167;CN=C(N=CN1CC1)NC;GVJGYSSZBCLLAV-UHFFFAOYSA-N;140.19;-0.46;;;;;DOPC;MDCG;27;1;"MARTINI bead: P2_SP1";;;;;;;-1.06;;-8.83;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM456168;MM456168;C=CC(C#N)=CCNN=C;WLMDEUQPVRMSGT-UHFFFAOYSA-N;135.17;0.83;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_P2";;;;;;;0.54;;-1.09;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM456169;MM456169;CNC(N=CN1CC1)=NN;YHEWZKPOWPTZHY-UHFFFAOYSA-N;141.18;-1.22;;;;;DOPC;MDCG;27;1;"MARTINI bead: P3_SP1";;;;;;;-1.93;;-8.46;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM456170;MM456170;CN=C(N=CN1CC1)NN;YHEWZKPOWPTZHY-UHFFFAOYSA-N;141.18;-1.22;;;;;DOPC;MDCG;27;1;"MARTINI bead: P3_SP1";;;;;;;-1.93;;-8.71;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM456171;MM456171;C#CC1CN1NC(=N)C#N;PNTOQIBUDGDHFO-UHFFFAOYSA-N;134.14;-0.69;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_SP3";;;;;;;-2.2;;-5.19;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM456172;MM456172;NN=C(N=CN1CC1)NN;UCCKCKMSVRQCNC-UHFFFAOYSA-N;142.17;-1.98;;;;;DOPC;MDCG;27;1;"MARTINI bead: P4_SP1";;;;;;;-2.01;;-7.67;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM456173;MM456173;FCC=NN1CC1;ZUCYZOQFADMDOA-UHFFFAOYSA-N;102.11;0.26;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_SP2";;;;;;;-1.34;;-4.31;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM456174;MM456174;CN=C(N=CN1CC1)NO;NXENEMXIXBMNNI-UHFFFAOYSA-N;142.16;-0.71;;;;;DOPC;MDCG;27;1;"MARTINI bead: P3_SP1";;;;;;;-1.93;;-8.01;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM456175;MM456175;C=CCOC=NOCOC;CTJZJFWSGPJRCU-UHFFFAOYSA-N;145.16;0.75;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_C4";;;;;;;1.09;;-0.38;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM456176;MM456176;NN=C(N=CN1CC1)NO;ZFCAQGFJOAKXHH-UHFFFAOYSA-N;143.15;-1.46;;;;;DOPC;MDCG;27;1;"MARTINI bead: P4_SP1";;;;;;;-2.01;;-6.57;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM456177;MM456177;N=CNOC=NOCCN;DXADXERWACVOLN-UHFFFAOYSA-N;146.15;-0.97;;;;;DOPC;MDCG;27;1;"MARTINI bead: P2_P4";;;;;;;-2.29;;-7.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM456178;MM456178;CC=C(C=NN1CC1)CC;BRMFPMGYULOLBE-UHFFFAOYSA-N;138.21;1.64;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1_SP3";;;;;;;0.94;;0.03;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM456179;MM456179;O=CNOC=NOCCO;WONBELNXHOFEKD-UHFFFAOYSA-N;148.12;-1.38;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_P3";;;;;;;-1.93;;-4.72;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM456180;MM456180;CCC(C=NN1CC1)=CF;JKPAAXZDLRKSOO-UHFFFAOYSA-N;142.18;1.55;;;;;DOPC;MDCG;27;0;"MARTINI bead: C2_SP3";;;;;;;0.86;;-0.3;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM456181;MM456181;N=CNOC=NOCCF;TXUYACNMQHTUQL-UHFFFAOYSA-N;149.13;0.04;;;;;DOPC;MDCG;27;1;"MARTINI bead: Na_P2";;;;;;;-0.24;;-4.3;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM456182;MM456182;CC=C(C=NN1CC1)CN;OZVBINFJJFFMBT-UHFFFAOYSA-N;139.2;0.19;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_SP3";;;;;;;-1.1;;-5.78;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM456183;MM456183;O=CNOC=NOCCF;WPICSJMWLWPXBF-UHFFFAOYSA-N;150.11;-0.41;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_P3";;;;;;;-0.33;;-2.01;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM456184;MM456184;NC=C(C=NN1CC1)CN;MDDKPMMQPHCOJR-UHFFFAOYSA-N;140.19;-0.91;;;;;DOPC;MDCG;27;1;"MARTINI bead: P3_SP3";;;;;;;-3.07;;-7.67;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM456185;MM456185;COCON=CONC=O;XHFSLOUVSVCJGC-UHFFFAOYSA-N;148.12;-0.77;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_P2";;;;;;;-1.34;;-4.31;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM456186;MM456186;CCNN=CC(C)(F)C#N;QDHFSFHIRNBBSJ-UHFFFAOYSA-N;143.17;0.83;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nd_Na";;;;;;;0.87;;-1.88;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM456187;MM456187;C#CCCC=CCCCC;LZIAORKGKKMTSM-UHFFFAOYSA-N;136.24;3.15;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1_C3";;;;;;;4.61;;0.31;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM456188;MM456188;C#CCNN=CCC(C)F;IRBCITDFKICHCX-UHFFFAOYSA-N;142.18;0.94;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_P1";;;;;;;0.81;;-0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM456189;MM456189;C#CCCC=CCCCN;SAYRFKODEDIBMI-UHFFFAOYSA-N;137.23;1.69;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_C3";;;;;;;2.57;;-1.51;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM456190;MM456190;CC=C(C=NN1CC1)CF;RUWQTKCXVVZMMC-UHFFFAOYSA-N;142.18;1.2;;;;;DOPC;MDCG;27;0;"MARTINI bead: C3_SP3";;;;;;;0.6;;-0.8;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM456191;MM456191;C#CCCC=CCCNC;WOUCPGGSFXAMIN-UHFFFAOYSA-N;137.23;1.57;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_C3";;;;;;;2.57;;-1.77;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM456192;MM456192;CN=C(C=NN1CC1)NC;DYPSCXRUEXJYMN-UHFFFAOYSA-N;140.19;-0.46;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_SP3";;;;;;;-1.1;;-5.36;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM456193;MM456193;C=NOC(=N)NCC#CC;ZBUNMDMWHCZZAV-UHFFFAOYSA-N;139.16;0.17;;;;;DOPC;MDCG;27;0;"MARTINI bead: N0_P1";;;;;;;0.34;;-1.53;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM456194;MM456194;C#CCCC=CCNCC;BOIQOSZNWJVCJP-UHFFFAOYSA-N;137.23;1.57;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_C3";;;;;;;2.57;;-1.14;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM456195;MM456195;C#CCCC=CCOCC;DODUUVCQMDDDCQ-UHFFFAOYSA-N;138.21;1.99;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_C3";;;;;;;2.57;;0.45;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM456196;MM456196;CC=C(C=NN1CC1)OC;HSMXBOVLVJQCLX-UHFFFAOYSA-N;140.19;0.84;;;;;DOPC;MDCG;27;0;"MARTINI bead: C3_SP3";;;;;;;0.6;;-0.8;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM456197;MM456197;C#CCOC=CCCCC;OSHAEWXIJRONAB-UHFFFAOYSA-N;138.21;2.34;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1_P2";;;;;;;1.8;;0.4;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM456198;MM456198;COC(C=NN1CC1)=CN;PHNSRHQSYFUVDQ-UHFFFAOYSA-N;141.17;-0.27;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda_SP3";;;;;;;-1.1;;-3.97;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM456199;MM456199;C#CCOC=CCCCN;NZHHSPHABBYKOM-UHFFFAOYSA-N;139.2;0.89;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_Na";;;;;;;0.87;;-4.67;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM456200;MM456200;COC(C=NN1CC1)=CF;HNPUFVSIRPNCPR-UHFFFAOYSA-N;144.15;0.75;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_SP3";;;;;;;-0.33;;-2.01;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM456201;MM456201;C#CCOC=CCNCC;IIVWEVHEKUKNLD-UHFFFAOYSA-N;139.2;0.76;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_Na";;;;;;;0.87;;-4.05;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM456202;MM456202;C=CC(C=CC1CC1)=CC;YKMAPQITDRYUKB-UHFFFAOYSA-N;134.22;3.08;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1_SC5";;;;;;;3.68;;0.46;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM456203;MM456203;C=CC(C=CC1CC1)=CF;CNITXEDXHHLQBE-UHFFFAOYSA-N;138.19;2.99;;;;;DOPC;MDCG;27;0;"MARTINI bead: C2_SC5";;;;;;;3.6;;0.34;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM456204;MM456204;C#CCCC=COCCC;CRKKQWATLKSILI-UHFFFAOYSA-N;138.21;2.34;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_C3";;;;;;;2.57;;0.45;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM456205;MM456205;CC=C(C=O)C=CC1CC1;XPXOGJGCQHVWCD-UHFFFAOYSA-N;136.19;2.1;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_SC5";;;;;;;1.64;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM456206;MM456206;C#CCOC=COCCC;QDKQRVCUPYCZCB-UHFFFAOYSA-N;140.18;1.53;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4_P2";;;;;;;1.09;;-0.38;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM456207;MM456207;CC=C(C#N)C=CC1CC1;FVBDXPIOOSVGFF-UHFFFAOYSA-N;133.19;2.42;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_SC5";;;;;;;2.41;;0.64;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM456208;MM456208;C#CCOC=COCOC;WZTOOAXZHDIIJE-UHFFFAOYSA-N;142.15;0.73;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_N0";;;;;;;0.34;;-1.53;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM456209;MM456209;NC=C(C=O)C=CC1CC1;MZTXUFWGDILPQC-UHFFFAOYSA-N;137.18;0.99;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_SC5";;;;;;;0.81;;-0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM456210;MM456210;C#CCNN=CCCCC;XJBOSJJIEMWITB-UHFFFAOYSA-N;138.21;1.39;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1_P3";;;;;;;0.94;;0.03;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM456211;MM456211;N#CC(C=CC1CC1)=CN;RKUGRYSSLIBGBA-UHFFFAOYSA-N;134.18;1.32;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_SC5";;;;;;;0.81;;-0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM456212;MM456212;N#CC(N)=C(N)C=O;POCSEEKHOVAOCA-UHFFFAOYSA-N;111.1;-1.16;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_P2";;;;;;;-1.34;;-4.31;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM456213;MM456213;C#CCON=CCCCC;IVLGNHAORINFHF-UHFFFAOYSA-N;139.2;1.81;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1_Na";;;;;;;2.91;;0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM456214;MM456214;O=CC(C=CC1CC1)=CF;ZBOZPEMSWHNEAM-UHFFFAOYSA-N;140.16;2;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_SC5";;;;;;;1.64;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM456215;MM456215;C#CCON=CCCCN;MIVDUMFIDODHTG-UHFFFAOYSA-N;140.19;0.36;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1_N0";;;;;;;0.34;;-4.31;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM456216;MM456216;N#CC(C=CC1CC1)=CF;BQJPLKILTLWICF-UHFFFAOYSA-N;137.16;2.33;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_SC5";;;;;;;1.64;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM456217;MM456217;C=CC(C=CC1CC1)=NN;OSFGTTYXAGHVOK-UHFFFAOYSA-N;136.2;1.45;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_SC5";;;;;;;2.41;;0.64;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM456218;MM456218;C#CCON=CCCOC;RTUGVZHZHATTMY-UHFFFAOYSA-N;141.17;0.66;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_Na";;;;;;;0.87;;-2.22;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM456219;MM456219;C#CCON=CCNCC;QQVALTOENUQUQG-UHFFFAOYSA-N;140.19;0.23;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1_N0";;;;;;;0.34;;-2.75;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM456220;MM456220;CC=NNCC(F)=C(F)F;QHBJSXJCHLUDMP-UHFFFAOYSA-N;152.12;1.66;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nd_C4";;;;;;;2.2;;0.32;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM456221;MM456221;C#CCNN=COCCN;DNPPNVFXPGIELQ-UHFFFAOYSA-N;141.17;-0.87;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1_P2";;;;;;;-1.06;;-5.65;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM456222;MM456222;O=CC(C=CC1CC1)=NO;SWDAXWNYYRDOCV-UHFFFAOYSA-N;139.15;0.98;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_SC5";;;;;;;0.81;;-0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM456223;MM456223;CC1CN1N=CCF;ZUOWGABPCMGUNK-UHFFFAOYSA-N;116.14;0.65;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP1_P2";;;;;;;-1.06;;-3.82;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM456224;MM456224;C=CC(C=CC1CO1)=CC;DAQULYKAALCQFY-UHFFFAOYSA-N;136.19;2.07;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1_SNa";;;;;;;2.91;;0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM456225;MM456225;CC=C(C=O)C=CC1CO1;OPIKLTBYMJPMOA-UHFFFAOYSA-N;138.17;1.09;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_SNa";;;;;;;0.87;;-2.22;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM456226;MM456226;C#CCON=COCCN;JYHQVAQOAJLIDQ-UHFFFAOYSA-N;142.16;-0.45;;;;;DOPC;MDCG;27;1;"MARTINI bead: P2_Na";;;;;;;-0.24;;-5.26;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM456227;MM456227;CC=C(C#N)C=CC1CO1;GLTRUABHMSTAHH-UHFFFAOYSA-N;135.17;1.41;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_SNa";;;;;;;1.64;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM456228;MM456228;C#CCCC=NNCCC;VYWMDMSDGDSRBP-UHFFFAOYSA-N;138.21;1.39;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nd_C5";;;;;;;1.64;;0.02;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM456229;MM456229;NC=C(C=O)C=CC1CO1;QQRCRLLGQJAWDF-UHFFFAOYSA-N;139.15;-0.02;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_SNa";;;;;;;0.04;;-2.54;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM456230;MM456230;C#CCCC=NNCCN;KWQXUCLYMMZVFS-UHFFFAOYSA-N;139.2;-0.07;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1_Nd";;;;;;;0.04;;-4.25;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM456231;MM456231;C=NNC(C)(C#N)CC;LCMJOXNZLOXLGI-UHFFFAOYSA-N;125.18;0.88;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_P1";;;;;;;0.81;;-0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM456232;MM456232;N#CC(C=CC1CO1)=CN;NPHZAWNHMZWANN-UHFFFAOYSA-N;136.15;0.31;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_SNa";;;;;;;0.04;;-2.54;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM456233;MM456233;C#CC(C)(CF)NN=C;BSEIXWKETYPGHO-UHFFFAOYSA-N;128.15;0.55;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_P1";;;;;;;0.81;;-0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM456234;MM456234;N#CC(C=CC1CO1)=CF;IMPPPNYRXPAXGJ-UHFFFAOYSA-N;139.13;1.32;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_SNa";;;;;;;0.87;;-2.22;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM456235;MM456235;C#CCOC=NNCCN;UTDOAMYLKUGOBT-UHFFFAOYSA-N;141.17;-0.87;;;;;DOPC;MDCG;27;1;"MARTINI bead: P3_N0";;;;;;;-0.8;;-4.3;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM456236;MM456236;O=CC(C=CC1CO1)=NO;LRQCJIPYBGJYNH-UHFFFAOYSA-N;141.13;-0.03;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_SNa";;;;;;;0.04;;-2.54;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM456237;MM456237;C=CCN(C)N=CCF;MZRYCTGITOVFTM-UHFFFAOYSA-N;130.17;1.06;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_C5";;;;;;;0.81;;-0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM456238;MM456238;C#CC1(C)ONC(=NC)O1;OPOTTWRVXODRHT-UHFFFAOYSA-N;140.14;-0.13;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP2_SP2";;;;;;;-1.34;;-4.31;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM456239;MM456239;C=CCCC=CCCC=C;GMGYODAMPOELNZ-UHFFFAOYSA-N;136.24;3.48;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1_C1";;;;;;;4.95;;0.69;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM456240;MM456240;O=CC(C=CN1CC1)=NO;ZRSHELBEQRTAND-UHFFFAOYSA-N;140.14;-0.16;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_SP1";;;;;;;-0.79;;-3.13;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM456241;MM456241;C=CCCC=CCCC=O;ISNGFCODFAPWPE-UHFFFAOYSA-N;138.21;2.49;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1_Na";;;;;;;2.91;;0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM456242;MM456242;CN=C(C=O)N=CN1CC1;CBHMMRFIFAJWQG-UHFFFAOYSA-N;139.16;-0.44;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_SP1";;;;;;;-1.06;;-3.82;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM456243;MM456243;C=CCCC=CCCC#N;SUKHGANMGNQAEP-UHFFFAOYSA-N;135.21;2.81;;;;;DOPC;MDCG;27;0;"MARTINI bead: C3_N0";;;;;;;2.87;;0.37;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM456244;MM456244;COCC(=NO)C(F)(F)F;GCIBRXWTZYMEAB-UHFFFAOYSA-N;157.09;1.03;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_C5";;;;;;;0.81;;-6.28;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM456245;MM456245;N#CCCC=CCCC=O;LCLZMVCNANTQMR-UHFFFAOYSA-N;137.18;1.83;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_N0";;;;;;;1.94;;0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM456246;MM456246;C=CC(C=NN1CC1)=CC;FKDYVDDCSQHJGT-UHFFFAOYSA-N;136.2;1.42;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1_SP3";;;;;;;0.94;;0.03;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM456247;MM456247;N#CCCC=CCCC#N;IEJCIJGHMBBDMU-UHFFFAOYSA-N;134.18;2.15;;;;;DOPC;MDCG;27;0;"MARTINI bead: N0_P1";;;;;;;0.34;;-1.53;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM456248;MM456248;C=CC(C=NN1CC1)=CF;UYCXJBPQGMVETI-UHFFFAOYSA-N;140.16;1.33;;;;;DOPC;MDCG;27;0;"MARTINI bead: C2_SP3";;;;;;;0.86;;-0.3;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM456249;MM456249;N#CCCC=CCNC=O;BYRNFQRZRSSNPE-UHFFFAOYSA-N;138.17;0.59;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_N0";;;;;;;0.34;;-1.53;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM456250;MM456250;CC=C(C=O)C=NN1CC1;ABXHIWPUIQDDSM-UHFFFAOYSA-N;138.17;0.43;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_SP3";;;;;;;-1.1;;-4.2;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM456251;MM456251;CC=C(C#N)C=NN1CC1;VDVGSCCILLUYPF-UHFFFAOYSA-N;135.17;0.76;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_SP3";;;;;;;-0.33;;-2.01;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM456252;MM456252;C=CCCC=CCNN=C;YDULNBZIRCZJEK-UHFFFAOYSA-N;138.21;1.71;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1_P2";;;;;;;1.8;;0.41;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM456253;MM456253;N=CN(N)C(=O)C(F)=CN;IDJMZGYFICXMSQ-UHFFFAOYSA-N;146.13;-0.93;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda_P4";;;;;;;-1.19;;-4.91;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM456254;MM456254;C=CCCC=CCOC=C;DUJIVUZHFWJNIB-UHFFFAOYSA-N;138.21;2.67;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1_Na";;;;;;;2.91;;0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM456255;MM456255;N#CC(C=NN1CC1)=CF;VHMZCPYLYWQPPQ-UHFFFAOYSA-N;139.13;0.66;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_SP3";;;;;;;-1.1;;-4.2;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM456256;MM456256;C=NOCC=CCCC#N;BIHWGUOLQAPSOB-UHFFFAOYSA-N;138.17;1.48;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_N0";;;;;;;1.17;;-1.18;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM456257;MM456257;C#CCN(C)N=CCF;KYWVJIORJGMHER-UHFFFAOYSA-N;128.15;0.51;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_C5";;;;;;;0.54;;-1.09;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM456258;MM456258;C=NN(C)C(=O)C(F)=CN;LJMWHJIXBCOGSD-UHFFFAOYSA-N;145.14;-0.17;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_Nda";;;;;;;-0.24;;-3.31;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM456259;MM456259;C#CC(C=CC1CC1)=CC;CMCRGTJXKZXQFA-UHFFFAOYSA-N;132.21;2.53;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4_SC5";;;;;;;2.97;;0.45;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM456260;MM456260;C=NNCC=CCON=C;ZURBGOFUQLAFAW-UHFFFAOYSA-N;141.17;0.38;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nd_Na";;;;;;;0.87;;-1.88;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM456261;MM456261;C#CC(C=CC1CC1)=CF;NTXCSALIYLHEJV-UHFFFAOYSA-N;136.17;2.44;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_SC5";;;;;;;2.41;;0.64;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM456262;MM456262;C=CCCC=COCC=C;LKHSPNCCHMOAHF-UHFFFAOYSA-N;138.21;2.67;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1_Na";;;;;;;2.91;;0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM456263;MM456263;C#CC(C=CC1CC1)=NN;XDSUNYPMMPCATK-UHFFFAOYSA-N;134.18;0.9;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nd_SC5";;;;;;;1.64;;0.02;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM456264;MM456264;C=CCCC=COCC=O;WMEUGKJKCKTYHA-UHFFFAOYSA-N;140.18;1.68;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1_P2";;;;;;;1.8;;0.4;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM456265;MM456265;C#CC(C=CC1CC1)=NO;GGFYJNIQCAOONI-UHFFFAOYSA-N;135.17;1.42;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda_SC5";;;;;;;1.64;;0.05;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM456266;MM456266;N#CCCC=COCC=O;JUXCQTIJZODUNH-UHFFFAOYSA-N;139.15;1.02;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_N0";;;;;;;0.34;;-1.53;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM456267;MM456267;C#CC(C=CC1CO1)=CC;PZVXPKMUTFRBGA-UHFFFAOYSA-N;134.18;1.52;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4_SNa";;;;;;;2.2;;0.34;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM456268;MM456268;N#CCOC=CCCC=O;XNUYLIBUUQNARJ-UHFFFAOYSA-N;139.15;1.02;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_Na";;;;;;;0.87;;-2.22;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM456269;MM456269;C#CC(C=CC1CO1)=CF;HOESJEQXWOKHFU-UHFFFAOYSA-N;138.14;1.43;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_SNa";;;;;;;1.64;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM456270;MM456270;O=CCOC=CCNC=O;GKHMZAHEEHEMST-UHFFFAOYSA-N;143.14;-0.54;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_P3";;;;;;;-1.1;;-4.2;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM456271;MM456271;C=COCC=COCC#N;SONHTOADYZHTEZ-UHFFFAOYSA-N;139.15;1.2;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_P1";;;;;;;0.81;;-0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM456272;MM456272;C#CC(C=CC1CO1)=NN;STQVRNDALMHQHQ-UHFFFAOYSA-N;136.15;-0.11;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nd_SNa";;;;;;;0.87;;-1.88;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM456273;MM456273;C=CCOC=COCC#N;WDLTYHTZVIMNDD-UHFFFAOYSA-N;139.15;1.2;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_Na";;;;;;;0.87;;-2.22;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM456274;MM456274;C#CC(C=NN1CC1)=CC;BNCZKLIAKQHZPQ-UHFFFAOYSA-N;134.18;0.87;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4_SP3";;;;;;;0.23;;-1.03;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM456275;MM456275;CCCNNC(=N)C#N;SJRZQBOLPURDPG-UHFFFAOYSA-N;126.16;-0.01;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nd_P2";;;;;;;-0.24;;-3.16;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM456276;MM456276;C#CC(C=NN1CC1)=CN;INIWXJZTLQSBRH-UHFFFAOYSA-N;135.17;-0.24;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nd_SP3";;;;;;;-1.1;;-3.93;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM456277;MM456277;C=CCNN=CCOC=C;RMHCPHVAUHNQRA-UHFFFAOYSA-N;140.19;0.91;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nd_Na";;;;;;;0.87;;-1.88;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM456278;MM456278;C#CC(C=NN1CC1)=CF;MEGQPIIGNIBHTM-UHFFFAOYSA-N;138.15;0.77;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_SP3";;;;;;;-0.33;;-2.01;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM456279;MM456279;NC1=CC(=O)N(N)C1=O;KUNJSVQJICCACJ-UHFFFAOYSA-N;127.1;-1.93;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP1_SP2";;;;;;;-1.06;;-3.82;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM456280;MM456280;C#CCNC(=N)ON=CC;ZIIUFOKFGNMYEE-UHFFFAOYSA-N;139.16;0.17;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_N0";;;;;;;0.34;;-1.53;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM456281;MM456281;C=CCON=CCCC#N;BVEAWEBUKJBRIL-UHFFFAOYSA-N;138.17;1.48;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_P1";;;;;;;0.81;;-0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM456282;MM456282;CCC(C#CC1CC1)CC;HUTBYURPYQGWQT-UHFFFAOYSA-N;136.24;2.84;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1_SC5";;;;;;;3.68;;0.46;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM456283;MM456283;N#CCCC=NOCC#N;UEVIHXKNXYXYSF-UHFFFAOYSA-N;137.14;0.82;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_P2";;;;;;;-0.24;;-3.24;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM456284;MM456284;CCC(C#CC1CC1)CN;HRACEUZSQIYBKW-UHFFFAOYSA-N;137.23;1.38;;;;;DOPC;MDCG;27;1;"MARTINI bead: C5_SC5";;;;;;;2.41;;-0.17;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM456285;MM456285;Nc1c(F)oc(=O)n1N;VLLYUYHWGPVBNN-UHFFFAOYSA-N;133.08;-1.12;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNa_SP3";;;;;;;-1.1;;-4.2;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM456286;MM456286;C=CC(=O)CCNN=CC;AIYKIOPDBJRURT-UHFFFAOYSA-N;140.19;0.73;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nd_Na";;;;;;;0.87;;-1.88;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM456287;MM456287;C=CCON=CCNN=C;IFAFRZXYKVDTKN-UHFFFAOYSA-N;141.17;0.38;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_P2";;;;;;;0.54;;-1.09;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM456288;MM456288;CCC(C#CC1CC1)NC;FPWJQEXFJINOKH-UHFFFAOYSA-N;137.23;1.4;;;;;DOPC;MDCG;27;1;"MARTINI bead: C5_SC5";;;;;;;2.41;;0.25;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM456289;MM456289;CNC(C#CC1CC1)CN;PJGLADWDIIPJNW-UHFFFAOYSA-N;138.21;-0.05;;;;;DOPC;MDCG;27;1;"MARTINI bead: P2_SC5";;;;;;;0.54;;-2.87;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM456290;MM456290;CN=C(C=O)NN1CC1;NUXIVFGZPGLVKA-UHFFFAOYSA-N;127.15;-0.97;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_SP3";;;;;;;-1.1;;-4.2;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM456291;MM456291;CNC(C#CC1CC1)CO;UGGWFARZTZCXHD-UHFFFAOYSA-N;139.2;-0.02;;;;;DOPC;MDCG;27;1;"MARTINI bead: P2_SC5";;;;;;;0.54;;-2.28;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM456292;MM456292;C=COCC=NOCC#N;GBHXSXWQNBIMHX-UHFFFAOYSA-N;140.14;0.67;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_P2";;;;;;;0.54;;-1.09;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM456293;MM456293;CC1C(C)N1N=CCF;DWUFLMZTFYSHJZ-UHFFFAOYSA-N;130.17;1.03;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP1_P2";;;;;;;-1.06;;-3.82;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM456294;MM456294;CCC(C#CC1CC1)OC;VVOXNBOINYRCTP-UHFFFAOYSA-N;138.21;1.82;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4_SC5";;;;;;;2.97;;0.45;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM456295;MM456295;COC(C#CC1CC1)CN;DJQDKDPOYBCIFD-UHFFFAOYSA-N;139.2;0.37;;;;;DOPC;MDCG;27;1;"MARTINI bead: P2_SC5";;;;;;;0.54;;-2.75;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM456296;MM456296;CCC1CN1N=CCF;VATACADXMURMTR-UHFFFAOYSA-N;130.17;1.04;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP1_P2";;;;;;;-1.06;;-3.82;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM456297;MM456297;CCC(C#CC1CN1)CC;JEFAFSSQRWBCAH-UHFFFAOYSA-N;137.23;1.4;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1_SP1";;;;;;;2.08;;0.5;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM456298;MM456298;C=CCON=CCON=C;XUUPOLZPZHTXKE-UHFFFAOYSA-N;142.16;0.81;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_P1";;;;;;;0.81;;-0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM456299;MM456299;N#CC1NC1C#CC=O;XQJKOTSQOKZZJH-UHFFFAOYSA-N;120.11;-0.95;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_SP2";;;;;;;-1.06;;-3.82;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM456300;MM456300;CCC(C#CC1CN1)CN;BQSSQQQMMKYTRV-UHFFFAOYSA-N;138.21;-0.05;;;;;DOPC;MDCG;27;1;"MARTINI bead: C5_SP1";;;;;;;0.81;;-2.92;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM456301;MM456301;CCNN=CC(F)(F)C=O;VLGQBYLSVGSXDK-UHFFFAOYSA-N;150.13;0.42;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nd_Na";;;;;;;0.87;;-1.88;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM456302;MM456302;C#CC(C)ON=CCC#N;JBRBCDPDSDZJNA-UHFFFAOYSA-N;136.15;0.92;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_P1";;;;;;;0.81;;-0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM456303;MM456303;C=CCOC=NOCC#N;WKRSYNKSKVFJTF-UHFFFAOYSA-N;140.14;0.67;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_Na";;;;;;;0.87;;-2.22;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM456304;MM456304;CCC(C#CC1CN1)CF;FXTZXOAAJNUYSV-UHFFFAOYSA-N;141.19;0.96;;;;;DOPC;MDCG;27;0;"MARTINI bead: C2_SP1";;;;;;;2;;0.34;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM456305;MM456305;C=NNC(C)(C#CC)CF;BBZNJAJOQNUEGW-UHFFFAOYSA-N;142.18;0.94;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4_P1";;;;;;;1.37;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM456306;MM456306;NCC(C#CC1CN1)CN;DPPUVNZYXLOTSD-UHFFFAOYSA-N;139.2;-1.5;;;;;DOPC;MDCG;27;1;"MARTINI bead: P2_SP1";;;;;;;-1.06;;-6.21;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM456307;MM456307;N=CNOC=NOCC=O;HGMOLVQPVQPARR-UHFFFAOYSA-N;145.12;-0.73;;;;;DOPC;MDCG;27;1;"MARTINI bead: P3_Na";;;;;;;-1.1;;-5.26;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM456308;MM456308;CCC(C#CC1CN1)NC;ASXDWUHXEDUJIF-UHFFFAOYSA-N;138.21;-0.04;;;;;DOPC;MDCG;27;1;"MARTINI bead: C5_SP1";;;;;;;0.81;;-2.38;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM456309;MM456309;C#CCCC=CCCC=C;WUECOBZYKKEBMC-UHFFFAOYSA-N;134.22;2.92;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1_C5";;;;;;;3.68;;0.46;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM456310;MM456310;CNC(C#CC1CN1)CN;AOAGAYUCTBHMIT-UHFFFAOYSA-N;139.2;-1.49;;;;;DOPC;MDCG;27;1;"MARTINI bead: P2_SP1";;;;;;;-1.06;;-5.59;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM456311;MM456311;C#CCCC=CCCC=O;HKUQQTDYNVGTCZ-UHFFFAOYSA-N;136.19;1.94;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_C3";;;;;;;3.34;;0.48;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM456312;MM456312;CCC(C#CC1CN1)OC;MJSZZSJATGJCEY-UHFFFAOYSA-N;139.2;0.39;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4_SP1";;;;;;;1.37;;-0.05;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM456313;MM456313;C#CCCC=CCCC#N;BRZNYWZRJPVJLD-UHFFFAOYSA-N;133.19;2.26;;;;;DOPC;MDCG;27;0;"MARTINI bead: C3_N0";;;;;;;2.87;;0.37;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM456314;MM456314;COC(C#CC1CN1)CN;JPMCGVJJLDZPSU-UHFFFAOYSA-N;140.19;-1.06;;;;;DOPC;MDCG;27;1;"MARTINI bead: P2_SP1";;;;;;;-1.06;;-5.47;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM456315;MM456315;C#CCCC=CCON=C;VHJVGFIWPODNMZ-UHFFFAOYSA-N;137.18;1.59;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_C3";;;;;;;2.57;;0.45;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM456316;MM456316;C=CC(NN=C)C(=C)C=O;ZGXCNHHWQMRGLV-UHFFFAOYSA-N;138.17;0.5;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nd_Na";;;;;;;0.87;;-1.88;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM456317;MM456317;C#CCOC=CCCC=O;PKRZRQBFPXWNAK-UHFFFAOYSA-N;138.17;1.13;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_C5";;;;;;;1.64;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM456318;MM456318;Cn1c(=O)c(N)c(N)n1N;QVYUXGZMDXMLHE-UHFFFAOYSA-N;143.15;-1.94;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP3_SP2";;;;;;;-2.2;;-5.19;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM456319;MM456319;C#CCOC=CCCC#N;SFQUBZYLBFSKOW-UHFFFAOYSA-N;135.17;1.45;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_N0";;;;;;;1.17;;-1.18;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM456320;MM456320;COC(C#CC1CN1)OC;FBNOAJSMZCVRCE-UHFFFAOYSA-N;141.17;-0.42;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_SP1";;;;;;;0.04;;-2.54;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM456321;MM456321;C#CCOC=CCNN=C;GRFKCKXDCZAXJZ-UHFFFAOYSA-N;138.17;0.36;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_C5";;;;;;;0.81;;-0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM456322;MM456322;CCC(C#CC1CO1)CC;HABSOTYYFBPVNS-UHFFFAOYSA-N;138.21;1.82;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1_SNa";;;;;;;2.91;;0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM456323;MM456323;C#CCOC=CCOC=C;GXIWTOYUIWIXHF-UHFFFAOYSA-N;138.17;1.31;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4_P2";;;;;;;1.09;;-0.38;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM456324;MM456324;CCC(C#CC1CO1)CN;ZFHKTDHSKGMLBR-UHFFFAOYSA-N;139.2;0.37;;;;;DOPC;MDCG;27;1;"MARTINI bead: C5_SNa";;;;;;;1.64;;-2.36;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM456325;MM456325;C#CCOC=CCOC=O;FYCYTWBFZHKOEA-UHFFFAOYSA-N;140.14;0.32;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_Na";;;;;;;0.87;;-2.22;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM456326;MM456326;CCC(C#CC1CO1)CO;AJZQHYVIZQSYMQ-UHFFFAOYSA-N;140.18;0.41;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_SNa";;;;;;;1.64;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM456327;MM456327;C#CCCC=COCC#N;RAAYONOAHRYZJO-UHFFFAOYSA-N;135.17;1.45;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_Na";;;;;;;1.64;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM456328;MM456328;CCC(C#CC1CO1)CF;CROJWQOTNLGQTM-UHFFFAOYSA-N;142.17;1.38;;;;;DOPC;MDCG;27;0;"MARTINI bead: C2_SNa";;;;;;;2.83;;0.35;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM456329;MM456329;C#CCOC=COCC=C;MEUSGPKFJJRGKQ-UHFFFAOYSA-N;138.17;1.31;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_Na";;;;;;;0.87;;-2.22;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM456330;MM456330;CCC(C#CC1CO1)NC;SBDHMQGKJSKFIJ-UHFFFAOYSA-N;139.2;0.39;;;;;DOPC;MDCG;27;1;"MARTINI bead: C5_SNa";;;;;;;1.64;;-1.81;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM456331;MM456331;C#CCNN=CCNC=N;APGMUAFKJRIXHC-UHFFFAOYSA-N;138.17;-0.61;;;;;DOPC;MDCG;27;1;"MARTINI bead: P3_Nd";;;;;;;-1.1;;-7.45;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM456332;MM456332;CCC(C#CC1CO1)OC;VUTHDLXUHGKVSB-UHFFFAOYSA-N;140.18;0.81;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4_SNa";;;;;;;2.2;;0.34;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM456333;MM456333;C#CCON=CCCC#N;QZDUSXKNQUCQCT-UHFFFAOYSA-N;136.15;0.93;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_P1";;;;;;;0.81;;-0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM456334;MM456334;COC(C#CC1CO1)CN;LYPKIHQXAZAQAE-UHFFFAOYSA-N;141.17;-0.64;;;;;DOPC;MDCG;27;1;"MARTINI bead: P2_SNa";;;;;;;-0.24;;-4.87;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM456335;MM456335;C#CCON=CCNC=N;ZRYUPYDOUSATSB-UHFFFAOYSA-N;139.16;-0.18;;;;;DOPC;MDCG;27;1;"MARTINI bead: P2_Na";;;;;;;-0.24;;-6.81;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM456336;MM456336;COC(C#CC1CO1)CF;PRHCCYFMQYNWIC-UHFFFAOYSA-N;144.15;0.37;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_SNa";;;;;;;0.87;;-2.22;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM456337;MM456337;CC#CC(=N)NC=C(F)F;HJUNBWXQSOXJDT-UHFFFAOYSA-N;144.12;1.31;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nd_Nd";;;;;;;0.87;;-2.11;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM456338;MM456338;C=CC(C#CC1CC1)CC;PIJIEZXQHFRQQV-UHFFFAOYSA-N;134.22;2.61;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1_SC5";;;;;;;3.68;;0.46;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM456339;MM456339;C#CCON=CCON=C;SPPLBBAEXBQCBD-UHFFFAOYSA-N;140.14;0.25;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_N0";;;;;;;0.34;;-1.53;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM456340;MM456340;CCC(C#CC1CC1)C=O;CZGJPZQIEGHZBV-UHFFFAOYSA-N;136.19;1.62;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_SC5";;;;;;;2.41;;0.64;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM456341;MM456341;CON=C(CF)NN(C)C;SZSUNJOLQJBSNP-UHFFFAOYSA-N;149.17;-0.02;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_P2";;;;;;;-0.24;;-3.24;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM456342;MM456342;CCC(C#N)C#CC1CC1;LEPRIDXNVRZJIO-UHFFFAOYSA-N;133.19;1.95;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_SC5";;;;;;;2.41;;0.64;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM456343;MM456343;C=C1C(C)CC(C)(O)C1C;OTAMBUDTQADCNQ-UHFFFAOYSA-N;140.23;1.97;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNda_SC2";;;;;;;2.83;;0.57;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM456344;MM456344;C=CC(C#CC1CC1)CN;IPHUEBSQCZDZGK-UHFFFAOYSA-N;135.21;1.16;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_SC5";;;;;;;1.64;;-2.3;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM456345;MM456345;C#CCON=CONC=O;ABKINQIWYYDJOF-UHFFFAOYSA-N;142.11;-0.74;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_Na";;;;;;;-0.24;;-3.24;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM456346;MM456346;Cn1nnc(=N)c(F)c1N;QTDAOZACASLSTR-UHFFFAOYSA-N;143.13;-0.98;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP2_SP2";;;;;;;-1.34;;-4.31;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM456347;MM456347;C=C1CC(O)(CC)CC1C;RXGAKLXNYHVGFA-UHFFFAOYSA-N;140.23;2.11;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC5_SC3";;;;;;;3.34;;0.48;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM456348;MM456348;O=CC(C#CC1CC1)CO;CCHBJCWOCANESY-UHFFFAOYSA-N;138.17;0.21;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_SC5";;;;;;;0.54;;-1.09;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM456349;MM456349;C#CCCC=NOCC=C;PHQCQUXDUIAKGP-UHFFFAOYSA-N;137.18;1.59;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_C5";;;;;;;2.41;;0.64;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM456350;MM456350;N#CC(C#CC1CC1)CO;HIMWVAFSZZOUOD-UHFFFAOYSA-N;135.17;0.53;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_SC5";;;;;;;0.54;;-1.09;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM456351;MM456351;C#CCCC=NOCC#N;NMOCKQWAWSWKBM-UHFFFAOYSA-N;136.15;0.93;;;;;DOPC;MDCG;27;0;"MARTINI bead: N0_Na";;;;;;;1.17;;-1.18;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM456352;MM456352;O=CC(C#CC1CC1)CF;LAJZEHFDCIEDHJ-UHFFFAOYSA-N;140.16;1.18;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_SC5";;;;;;;1.64;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM456353;MM456353;C#CCCC=CCCC#C;UCBWKWAKDSEGTK-UHFFFAOYSA-N;132.21;2.37;;;;;DOPC;MDCG;27;0;"MARTINI bead: C3_C3";;;;;;;4.27;;0.2;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM456354;MM456354;C=CC(C#CC1CC1)NC;PDBNSMOVFCPGMA-UHFFFAOYSA-N;135.21;1.17;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_SC5";;;;;;;1.64;;-1.01;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM456355;MM456355;C#CCOC=COCC#C;AONZZYCRSFKWFW-UHFFFAOYSA-N;136.15;0.76;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_Na";;;;;;;0.87;;-2.22;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM456356;MM456356;CN=c1oc(N)c(C)n1N;IIMSKSLYRAVHRQ-UHFFFAOYSA-N;142.16;-0.78;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP1_SP1";;;;;;;-0.79;;-3.13;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM456357;MM456357;NC=CC(=O)ON=CC=O;XXSGUFMKKKGLKF-UHFFFAOYSA-N;142.11;-0.81;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_Na";;;;;;;-0.24;;-3.24;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM456358;MM456358;C=CC(C#CC1CC1)OC;GAXHTSZAYFRMDT-UHFFFAOYSA-N;136.19;1.6;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_SC5";;;;;;;2.41;;0.64;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM456359;MM456359;C#CCOC=NOCC#C;AEFKGZDMHMBMAE-UHFFFAOYSA-N;137.14;0.23;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_Na";;;;;;;0.87;;-2.22;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM456360;MM456360;COC(C#CC1CC1)C=O;LPLKCQHICKMYKU-UHFFFAOYSA-N;138.17;0.61;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_SC5";;;;;;;1.64;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM456361;MM456361;CC=CCC=CCCCN;BIVKWSMXMFIRQA-UHFFFAOYSA-N;139.24;2.25;;;;;DOPC;MDCG;27;1;"MARTINI bead: C1_Nd";;;;;;;2.91;;-0.55;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM456362;MM456362;COC(C#N)C#CC1CC1;BOLMOIFUJHDCRW-UHFFFAOYSA-N;135.17;0.94;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_SC5";;;;;;;1.64;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM456363;MM456363;CC=CCC=CCCCF;CDTOMNXGKADNGJ-UHFFFAOYSA-N;142.22;3.26;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1_C4";;;;;;;4.24;;0.42;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM456364;MM456364;C=CC(C#CC1CN1)CC;XUXHZNOBIHLHMZ-UHFFFAOYSA-N;135.21;1.17;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1_SP1";;;;;;;2.08;;0.5;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM456365;MM456365;CCCCC=CCC=NN;GEOMQBRQMSSPIN-UHFFFAOYSA-N;140.23;2.07;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1_Nd";;;;;;;2.91;;0.64;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM456366;MM456366;CNc1cc(=O)nnn1N;CHRJITMMIWYBQF-UHFFFAOYSA-N;141.13;-1.61;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP1_SP3";;;;;;;-1.93;;-4.72;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM456367;MM456367;CC(CCF)=NNCC#N;HJTBNJXRJJFJOF-UHFFFAOYSA-N;143.17;0.84;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4_P3";;;;;;;0.23;;-1.03;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM456368;MM456368;CN=C(C#N)NC1CC1F;WLRRKHVAYSZLQH-UHFFFAOYSA-N;141.15;0.24;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_SNa";;;;;;;-0.24;;-3.24;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM456369;MM456369;NN=CCC=CCCCF;CBUGPXLSJXGDFM-UHFFFAOYSA-N;144.19;1.63;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nd_C4";;;;;;;2.2;;0.32;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM456370;MM456370;C=CC(C#CC1CN1)CN;HNLICKXGGPLMCQ-UHFFFAOYSA-N;136.2;-0.28;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_SP1";;;;;;;0.04;;-5.02;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM456371;MM456371;CNCCC=CCC=NN;JRYJXPPUGFPILD-UHFFFAOYSA-N;141.22;0.49;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_Nd";;;;;;;0.87;;-5.17;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM456372;MM456372;CNc1cnn(C)c(=O)c1;JYFRVZWEFVIASS-UHFFFAOYSA-N;139.16;-0.18;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNd_SP2";;;;;;;-0.24;;-3.16;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM456373;MM456373;CC=CCC=CCOCC;JKXBYLDWQYWHAS-UHFFFAOYSA-N;140.23;2.55;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_C1";;;;;;;2.91;;0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM456374;MM456374;CC#CC1CC(NN)=NO1;BZJZAYVOQMKFJM-UHFFFAOYSA-N;139.16;-0.42;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNa_SP2";;;;;;;-0.24;;-3.24;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM456375;MM456375;CCCCC=CN=CNC;PZNNZSBFVZKHRQ-UHFFFAOYSA-N;140.23;1.94;;;;;DOPC;MDCG;27;1;"MARTINI bead: C1_Nd";;;;;;;2.91;;-1.48;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM456376;MM456376;C=CC(C#CC1CN1)NC;WBNJOJCMZIWBQP-UHFFFAOYSA-N;136.2;-0.26;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_SP1";;;;;;;0.04;;-3.7;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM456377;MM456377;CCCCC=CN=CNN;BMLPPWKRYGXDOU-UHFFFAOYSA-N;141.22;1.18;;;;;DOPC;MDCG;27;1;"MARTINI bead: C1_P4";;;;;;;0.85;;-2.54;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM456378;MM456378;CC=CC1CN=C(C=O)N1;IJJFBPOEOXFTJV-UHFFFAOYSA-N;138.17;0.13;;;;;DOPC;MDCG;27;0;"MARTINI bead: SN0_SP2";;;;;;;0.06;;-2.21;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM456379;MM456379;CN=CNC=CCCCF;FAEQWMWIMZWRFD-UHFFFAOYSA-N;144.19;1.5;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1_C4";;;;;;;1.37;;-3.33;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM456380;MM456380;C=CC(C#CC1CN1)OC;UEDYJLKOQPEKCA-UHFFFAOYSA-N;137.18;0.16;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_SP1";;;;;;;0.81;;-0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM456381;MM456381;NN=CNC=CCCCF;WPJNNVMFAZECSG-UHFFFAOYSA-N;145.18;0.74;;;;;DOPC;MDCG;27;1;"MARTINI bead: P3_C3";;;;;;;0.6;;-1.86;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM456382;MM456382;N=Cn1onc(NN)c1=N;SEVDLJSJHUMDIR-UHFFFAOYSA-N;142.12;-1.3;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP1_SP3";;;;;;;-1.93;;-4.72;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM456383;MM456383;C#CCNN=C(C)C(C)F;ABQSKZIPKIKMSF-UHFFFAOYSA-N;142.18;0.94;;;;;DOPC;MDCG;27;0;"MARTINI bead: C2_P3";;;;;;;0.86;;-0.3;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM456384;MM456384;C=CC(C#CC1CO1)CC;UYYXPEFCPVUHDT-UHFFFAOYSA-N;136.19;1.6;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1_SNa";;;;;;;2.91;;0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM456385;MM456385;CCOCC=CN=CNC;CUFMEDVMDLMCKR-UHFFFAOYSA-N;142.2;0.78;;;;;DOPC;MDCG;27;1;"MARTINI bead: Na_Nd";;;;;;;0.87;;-5.41;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM456386;MM456386;CCC(C#CC1CO1)C=O;NKXZLJVPJVSUAN-UHFFFAOYSA-N;138.17;0.61;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_SNa";;;;;;;1.64;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM456387;MM456387;C#CC1(C=O)COC(=N)N1;LBMGFWDYIUGAIM-UHFFFAOYSA-N;138.13;-0.89;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP2_SP2";;;;;;;-1.34;;-4.31;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM456388;MM456388;CCC(C#N)C#CC1CO1;MSAVZFBRDRSDGU-UHFFFAOYSA-N;135.17;0.94;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_SNa";;;;;;;1.64;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM456389;MM456389;CN(CCC#N)N=CCF;TZHCONPKBCDONC-UHFFFAOYSA-N;143.17;0.79;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_C5";;;;;;;0.54;;-1.09;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM456390;MM456390;C=CC(C#CC1CO1)CN;OUUOFQTXIDYKCL-UHFFFAOYSA-N;137.18;0.15;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_SNa";;;;;;;0.87;;-4.26;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM456391;MM456391;CC=COC=CCCOC;ZKBQMAMCXZHPJZ-UHFFFAOYSA-N;142.2;2.09;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_C3";;;;;;;2.57;;0.45;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM456392;MM456392;CC=CCN(C)N=CCF;QLBLQKXMPZOVBL-UHFFFAOYSA-N;144.19;1.45;;;;;DOPC;MDCG;27;0;"MARTINI bead: N0_C5";;;;;;;1.94;;0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM456393;MM456393;O=CC(C#CC1CO1)CF;DBLAASWIDVVMGS-UHFFFAOYSA-N;142.13;0.17;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_SNa";;;;;;;0.87;;-2.22;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM456394;MM456394;CN(CC=CF)N=CCF;BSLLXGXSEGAYFE-UHFFFAOYSA-N;148.16;1.36;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_C5";;;;;;;0.81;;-0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM456395;MM456395;C#Cc1nnn(N=C)c1N;DWISUKJNFSVRGS-UHFFFAOYSA-N;135.13;-0.69;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP1_SP2";;;;;;;-1.06;;-3.82;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM456396;MM456396;CCOCC=COC=NO;VGCIBCCUQUOZPC-UHFFFAOYSA-N;145.16;0.97;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_P2";;;;;;;0.54;;-1.09;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM456397;MM456397;C=CC(C#CC1CO1)OC;WROOEUFUHLBOLF-UHFFFAOYSA-N;138.17;0.59;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_SNa";;;;;;;1.64;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM456398;MM456398;CC=CCC=COCCN;VTWUCROJNZOSIA-UHFFFAOYSA-N;141.21;1.44;;;;;DOPC;MDCG;27;1;"MARTINI bead: C1_P2";;;;;;;1.8;;-0.92;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM456399;MM456399;C#CC(C#CC1CC1)CC;YTYXJEJFXNRZBX-UHFFFAOYSA-N;132.21;2.06;;;;;DOPC;MDCG;27;0;"MARTINI bead: C2_SC5";;;;;;;3.6;;0.34;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM456400;MM456400;NN=CCC=COCCF;DUCWYAGKLZMCBP-UHFFFAOYSA-N;146.17;0.82;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nd_Na";;;;;;;0.87;;-1.88;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM456401;MM456401;C#CC(C#CC1CC1)CN;MIVDEDHKRLSVDO-UHFFFAOYSA-N;133.19;0.61;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_SC5";;;;;;;1.64;;-1.96;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM456402;MM456402;CC=CCC=COCOC;XUNZPGTUAGVVCC-UHFFFAOYSA-N;142.2;2.09;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_C2";;;;;;;2.83;;0.35;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM456403;MM456403;C#CC(C#CC1CC1)CO;VYFGHSBNSAZVLU-UHFFFAOYSA-N;134.18;0.64;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda_SC5";;;;;;;1.64;;0.05;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM456404;MM456404;NCCOC=CN=CNO;VGRHKSNGKRAZRF-UHFFFAOYSA-N;145.16;-0.56;;;;;DOPC;MDCG;27;1;"MARTINI bead: P2_P2";;;;;;;-1.34;;-6.33;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM456405;MM456405;C#CC(C#CC1CC1)OC;SXAHEKDJVYYALY-UHFFFAOYSA-N;134.18;1.05;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_SC5";;;;;;;1.64;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM456406;MM456406;CC=COC=COCCC;UNKAZZDDZXVRFQ-UHFFFAOYSA-N;142.2;2.43;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_C5";;;;;;;1.64;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM456407;MM456407;C#CC(C#CC1CN1)CC;ORGKEAKYYYHTSA-UHFFFAOYSA-N;133.19;0.62;;;;;DOPC;MDCG;27;0;"MARTINI bead: C2_SP1";;;;;;;2;;0.33;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM456408;MM456408;CC=COC=COCCN;KPNDJXUVAZIALV-UHFFFAOYSA-N;143.19;0.98;;;;;DOPC;MDCG;27;1;"MARTINI bead: C3_P3";;;;;;;0.6;;-2.77;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM456409;MM456409;C#CC(C#CC1CN1)CN;WHUHEJZRAHUNLW-UHFFFAOYSA-N;134.18;-0.83;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_SP1";;;;;;;0.04;;-4.69;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM456410;MM456410;CC=COC=COCCO;KWHIXTYLGXJLKG-UHFFFAOYSA-N;144.17;1.02;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_P2";;;;;;;0.54;;-1.09;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM456411;MM456411;C#CC#CCNN=CCC;JUEKFYFBXYRYLL-UHFFFAOYSA-N;134.18;0.61;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nd_C4";;;;;;;2.2;;0.32;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM456412;MM456412;OCCOC=COC=CF;BRHJSZMWNNRDII-UHFFFAOYSA-N;148.13;0.92;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_C5";;;;;;;0.54;;-1.09;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM456413;MM456413;C#CC(C#CC1CN1)OC;QNUHCSYCGIDSBJ-UHFFFAOYSA-N;135.17;-0.39;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_SP1";;;;;;;0.04;;-2.54;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM456414;MM456414;FC=COC=COCCF;HXENJULJLTXBRX-UHFFFAOYSA-N;150.12;1.9;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_N0";;;;;;;1.17;;-1.18;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM456415;MM456415;C#CC(C#CC1CO1)CC;OCGXPKMOUICAQS-UHFFFAOYSA-N;134.18;1.05;;;;;DOPC;MDCG;27;0;"MARTINI bead: C2_SNa";;;;;;;2.83;;0.35;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM456416;MM456416;C#CCCNNC(=N)C#N;IDDXXRYFMQLILD-UHFFFAOYSA-N;136.16;-0.4;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_P2";;;;;;;-1.06;;-3.82;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM456417;MM456417;C#CC(C#CC1CO1)CN;OGDXTUQVBZEBRU-UHFFFAOYSA-N;135.17;-0.4;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_SNa";;;;;;;0.87;;-3.92;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM456418;MM456418;CCCOC=COC=NO;GYYPNANBGOBMTD-UHFFFAOYSA-N;145.16;1.32;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_Nda";;;;;;;0.87;;-1.99;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM456419;MM456419;C#CC(C#CC1CO1)CO;HKIDSUXAYYEYCS-UHFFFAOYSA-N;136.15;-0.37;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda_SNa";;;;;;;0.87;;-1.99;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM456420;MM456420;NCCOC=COC=NO;LQQXXUBCOWPNGZ-UHFFFAOYSA-N;146.15;-0.13;;;;;DOPC;MDCG;27;1;"MARTINI bead: P3_Nda";;;;;;;-1.1;;-6.64;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM456421;MM456421;CC=COC=COCOC;PCISAOMNNNPOLQ-UHFFFAOYSA-N;144.17;1.63;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_C3";;;;;;;1.46;;-0.15;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM456422;MM456422;C=CC(C#CC1CC1)C=C;CNFGALMKRGVRBV-UHFFFAOYSA-N;132.21;2.39;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1_SC5";;;;;;;3.68;;0.46;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM456423;MM456423;COCOC=COC=CF;IYSKBSKXCXZMTR-UHFFFAOYSA-N;148.13;1.54;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_C5";;;;;;;0.54;;-1.09;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM456424;MM456424;C=CC(C#CC1CC1)C=O;YHAUAEDLDPIPLJ-UHFFFAOYSA-N;134.18;1.4;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_SC5";;;;;;;1.64;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM456425;MM456425;C=CC(C#N)C#CC1CC1;LRQNGJNXNWGLCD-UHFFFAOYSA-N;131.18;1.73;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_SC5";;;;;;;2.41;;0.64;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM456426;MM456426;C#CC(=NNC)C(=C)C#N;WZMGKVAUWYNTOL-UHFFFAOYSA-N;133.15;0.27;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_N0";;;;;;;0.34;;-1.53;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM456427;MM456427;N#CC(C#CC1CC1)C=O;IQJPZJGXKUTWLN-UHFFFAOYSA-N;133.15;0.74;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_SC5";;;;;;;1.64;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM456428;MM456428;COCOC=COC=NO;QHHCGRXRXKZTPW-UHFFFAOYSA-N;147.13;0.51;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_Nda";;;;;;;-0.24;;-3.31;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM456429;MM456429;CCOCC(=NOC)NN;KLLOGGCTRFINOS-UHFFFAOYSA-N;147.18;-0.55;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_P3";;;;;;;-0.33;;-2.01;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM456430;MM456430;N#CC(C#N)C#CC1CC1;XJMRAFOVDDLYHL-UHFFFAOYSA-N;130.15;1.06;;;;;DOPC;MDCG;27;-1;"MARTINI bead: P1_SC5";;;;;;;0.81;;-2.49;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM456431;MM456431;C#CCC(CC=CF)=NN;MUMFFKZPTQTNMN-UHFFFAOYSA-N;140.16;1.2;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nd_C5";;;;;;;1.64;;0.02;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM456432;MM456432;C=CC(C#CC1CN1)C=C;GRAUXJVHTKLLAA-UHFFFAOYSA-N;133.19;0.95;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1_SP1";;;;;;;2.08;;0.5;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM456433;MM456433;NCCCC=NN=CNO;SOZILGMBYYXPLI-UHFFFAOYSA-N;144.18;-0.28;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_P2";;;;;;;-0.24;;-5.92;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM456434;MM456434;C=CC=NNCC#CC#N;IRABCEOJCVYDOA-UHFFFAOYSA-N;133.15;0.27;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nd_N0";;;;;;;1.17;;-1.04;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM456435;MM456435;ON=CNN=CCCCF;FXEJPWRXNSKXOD-UHFFFAOYSA-N;147.15;0.73;;;;;DOPC;MDCG;27;0;"MARTINI bead: P4_C4";;;;;;;0.15;;-2.18;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM456436;MM456436;CC#CCNN=CCCF;UGQYZDWAQIJTEJ-UHFFFAOYSA-N;142.18;0.94;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4_P1";;;;;;;1.37;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM456437;MM456437;CNCCC=NN=CNO;HLANEVONQCSGMY-UHFFFAOYSA-N;144.18;-0.41;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_P2";;;;;;;-0.24;;-5.42;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM456438;MM456438;CC#CCON=CCC#N;LLEVXPRBCXQTCS-UHFFFAOYSA-N;136.15;0.93;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4_P1";;;;;;;1.37;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM456439;MM456439;N=c1c(N)c(F)cnn1N;JKAUGYMCDSSLDN-UHFFFAOYSA-N;143.13;-1.2;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP1_SP2";;;;;;;-1.06;;-3.82;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM456440;MM456440;C=NOC(=NO)C(F)(F)F;GEIRKCKNAQUBCO-UHFFFAOYSA-N;156.06;0.97;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda_N0";;;;;;;1.17;;-7.43;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM456441;MM456441;CNCCC=NOC=NN;JSZQGCPRNITCGW-UHFFFAOYSA-N;144.18;-0.5;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_P2";;;;;;;-0.24;;-5.71;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM456442;MM456442;C=CC(C#CC1CO1)C=C;DTDNTTRSXSWRQF-UHFFFAOYSA-N;134.18;1.38;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1_SNa";;;;;;;2.91;;0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM456443;MM456443;CCOCC=NOC=NO;BATJEDOWPGDFSH-UHFFFAOYSA-N;146.15;0.44;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_P2";;;;;;;0.54;;-1.09;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM456444;MM456444;C=CC(C#CC1CO1)C=O;RCCRZDSXEVYVGM-UHFFFAOYSA-N;136.15;0.39;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_SNa";;;;;;;0.87;;-2.22;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM456445;MM456445;Nc1c(F)c(=O)nnn1N;JUHSCLMHZSUJHV-UHFFFAOYSA-N;145.1;-1.93;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP2_SP3";;;;;;;-2.2;;-5.19;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM456446;MM456446;C=CC(C#N)C#CC1CO1;PQSQZAAHSKHNDF-UHFFFAOYSA-N;133.15;0.71;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_SNa";;;;;;;1.64;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM456447;MM456447;OCCOC=NNC=NO;JFIAFTNLNRYAQS-UHFFFAOYSA-N;147.13;-1.05;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_P1";;;;;;;-1.06;;-3.82;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM456448;MM456448;O=CC(C#CC1CO1)C=O;HAZCSNMTPLARDP-UHFFFAOYSA-N;138.12;-0.6;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_SNa";;;;;;;0.87;;-2.22;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM456449;MM456449;ON=CNN=COCCF;ONWDWUULCUQVLH-UHFFFAOYSA-N;149.13;-0.08;;;;;DOPC;MDCG;27;0;"MARTINI bead: P3_C5";;;;;;;-0.33;;-2.01;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM456450;MM456450;N#CC(C#CC1CO1)C=O;YTUDSHZUNCTQHA-UHFFFAOYSA-N;135.12;-0.27;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_SNa";;;;;;;0.87;;-2.22;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM456451;MM456451;CCCOC=NOC=NO;CPAHIRDHUCCTNH-UHFFFAOYSA-N;146.15;0.79;;;;;DOPC;MDCG;27;0;"MARTINI bead: C3_P2";;;;;;;1.46;;-0.15;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM456452;MM456452;O=CC(=NO)C(F)(F)F;LSSTXSOZSCZWFA-UHFFFAOYSA-N;141.05;0.58;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_N0";;;;;;;0.34;;-7.43;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM456453;MM456453;NCCOC=NOC=NO;XSYUGCWZOGVTMQ-UHFFFAOYSA-N;147.13;-0.66;;;;;DOPC;MDCG;27;1;"MARTINI bead: P3_Nda";;;;;;;-1.1;;-6.05;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM456454;MM456454;C#CC(C#CC1CC1)C=C;YYPKJVSJZYNHIG-UHFFFAOYSA-N;130.19;1.84;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4_SC5";;;;;;;2.97;;0.45;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM456455;MM456455;C=NN1CC1C(=C)C(C)=O;QCHFSXNYLDRYTE-UHFFFAOYSA-N;138.17;0.43;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_SP2";;;;;;;-0.24;;-3.24;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM456456;MM456456;C#CC(C#CC1CC1)C=O;BFOUWEGTVUKAHL-UHFFFAOYSA-N;132.16;0.85;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_SC5";;;;;;;1.64;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM456457;MM456457;OCCOC=NOC=NO;KNDOQMRHWGHHRE-UHFFFAOYSA-N;148.12;-0.63;;;;;DOPC;MDCG;27;0;"MARTINI bead: P3_Nda";;;;;;;-1.1;;-3.97;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM456458;MM456458;C#CC(C#CC1CN1)C=C;KKMKUKBEOCBTPP-UHFFFAOYSA-N;131.18;0.4;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4_SP1";;;;;;;1.37;;-0.05;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM456459;MM456459;COCOC=NOC=NO;XWMKQRVWMROUFP-UHFFFAOYSA-N;148.12;-0.02;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_Nda";;;;;;;-0.24;;-3.31;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM456460;MM456460;C=NOC=NN=CCC#N;DEFQLGSPQBOSIZ-UHFFFAOYSA-N;138.13;0.55;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_C5";;;;;;;0.81;;-0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM456461;MM456461;NCCCN=CNC=CF;ZYUNAGRUOPZEFO-UHFFFAOYSA-N;145.18;0.39;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_P2";;;;;;;-0.24;;-5.36;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM456462;MM456462;C#CC(C#CC1CO1)C=C;JUHPGVSJWSUANG-UHFFFAOYSA-N;132.16;0.82;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4_SNa";;;;;;;2.2;;0.34;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM456463;MM456463;CC=CN=CNCCCO;HNOWKGNYGGIBEG-UHFFFAOYSA-N;142.2;0.52;;;;;DOPC;MDCG;27;1;"MARTINI bead: C4_P3";;;;;;;0.23;;-4.36;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM456464;MM456464;C#CC(C#CC1CO1)C=O;VIUJCKJODBOBMM-UHFFFAOYSA-N;134.13;-0.16;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_SNa";;;;;;;0.87;;-2.22;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM456465;MM456465;OCCCN=CNC=CF;LMJNBLFPSGVGFS-UHFFFAOYSA-N;146.17;0.43;;;;;DOPC;MDCG;27;1;"MARTINI bead: P2_Nda";;;;;;;-0.24;;-4.58;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM456466;MM456466;C#CC(C#C)C#CC1CC1;ACDGNGXCPBFOBZ-UHFFFAOYSA-N;128.17;1.28;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_SC5";;;;;;;2.41;;0.64;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM456467;MM456467;CC=CCC=NNCCC;CHTOGBWSLCLHII-UHFFFAOYSA-N;140.23;1.94;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nd_C1";;;;;;;2.91;;0.63;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM456468;MM456468;C#CC(C#C)C#CC1CN1;SWGYLPOBMWNCTA-UHFFFAOYSA-N;129.16;-0.16;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_SP1";;;;;;;0.81;;-0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM456469;MM456469;C#CC(CC=NN=C)=NN;QZYZRFHNVOXSDI-UHFFFAOYSA-N;136.16;0.01;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_C5";;;;;;;0.81;;-0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM456470;MM456470;C#CC(C#C)C#CC1CO1;VLBJHLXYRMSCDB-UHFFFAOYSA-N;130.15;0.27;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_SNa";;;;;;;1.64;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM456471;MM456471;C#CC1=NNC(C#C)C1=C;MKYOQIRDSBIKEV-UHFFFAOYSA-N;130.15;0.14;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP1_SP1";;;;;;;-0.79;;-3.13;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM456472;MM456472;CC=C(C#CC1CC1)CC;PZMNUJSXUWBERC-UHFFFAOYSA-N;134.22;2.76;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1_SC5";;;;;;;3.68;;0.46;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM456473;MM456473;OCCNN=CCC=NO;SQZJIYZGVZMBHG-UHFFFAOYSA-N;145.16;-0.6;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_P1";;;;;;;-0.79;;-3.13;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM456474;MM456474;CCC(C#CC1CC1)=CF;FMOBUTFWLZTWGF-UHFFFAOYSA-N;138.19;2.66;;;;;DOPC;MDCG;27;0;"MARTINI bead: C2_SC5";;;;;;;3.6;;0.34;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM456475;MM456475;CC=CN=CNNCCF;XKHVHVAMRLHWSY-UHFFFAOYSA-N;145.18;0.61;;;;;DOPC;MDCG;27;1;"MARTINI bead: N0_P2";;;;;;;0.06;;-4.13;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM456476;MM456476;CC=C(C#CC1CC1)CN;JKIZLJDYWCVBTE-UHFFFAOYSA-N;135.21;1.3;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_SC5";;;;;;;1.64;;-1.67;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM456477;MM456477;C#CC1=CCC(=NN)C1=C;HHXALQWAXHALGP-UHFFFAOYSA-N;132.17;0.82;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNd_SC5";;;;;;;1.64;;0.02;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM456478;MM456478;NCC(C#CC1CC1)=CF;OAIPCWVKEJJMHR-UHFFFAOYSA-N;139.17;1.21;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1_SC5";;;;;;;0.81;;-2.13;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM456479;MM456479;CCC1=NNC(C#N)CC1;OONVFFQUZWDBRN-UHFFFAOYSA-N;137.19;1.03;;;;;DOPC;MDCG;27;0;"MARTINI bead: SN0_SNd";;;;;;;1.17;;-1.04;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM456480;MM456480;CC=C(C#CC1CC1)CO;FJTBDDVHPQWEOG-UHFFFAOYSA-N;136.19;1.34;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_SC5";;;;;;;2.41;;0.64;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM456481;MM456481;OCCNN=COC=NO;HPZAPIJSMSJWCS-UHFFFAOYSA-N;147.13;-1.05;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_P2";;;;;;;-1.06;;-3.82;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM456482;MM456482;OCC(C#CC1CC1)=CF;DGRAJSRDGPPGBB-UHFFFAOYSA-N;140.16;1.25;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda_SC5";;;;;;;1.64;;0.05;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM456483;MM456483;C=NNCC(=C)CC#N;NZKBPRWWJGPHDH-UHFFFAOYSA-N;123.16;0.66;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_N0";;;;;;;0.34;;-1.53;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM456484;MM456484;CC=C(C#CC1CC1)CF;RQFMCOCYVVJOEE-UHFFFAOYSA-N;138.19;2.32;;;;;DOPC;MDCG;27;0;"MARTINI bead: C3_SC5";;;;;;;3.34;;0.48;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM456485;MM456485;CCCON=CCC=NO;HIXIGXOWSBRLKE-UHFFFAOYSA-N;144.17;1.25;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_P1";;;;;;;0.81;;-0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM456486;MM456486;FC=C(C#CC1CC1)CF;RCVDWFLGCFOXDS-UHFFFAOYSA-N;142.15;2.22;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_SC5";;;;;;;2.41;;0.64;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM456487;MM456487;NCCON=CCC=NO;MSCODHRSNWLKJT-UHFFFAOYSA-N;145.16;-0.2;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1_P1";;;;;;;-0.79;;-4.49;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM456488;MM456488;CCC(C#CC1CC1)=NN;INXRGYKSSJIGDC-UHFFFAOYSA-N;136.2;1.12;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_SC5";;;;;;;2.41;;0.64;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM456489;MM456489;CC=CCC=NOCOC;OGJYAHDOISDFCR-UHFFFAOYSA-N;143.19;1.56;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_C2";;;;;;;2;;0.29;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM456490;MM456490;CCC(C#CC1CC1)=NO;BJEXNWWEQMIRFE-UHFFFAOYSA-N;137.18;1.64;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda_SC5";;;;;;;1.64;;0.05;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM456491;MM456491;COCON=CCC=CF;FQAQHKSEFDRKLS-UHFFFAOYSA-N;147.15;1.47;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_C4";;;;;;;1.37;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM456492;MM456492;COCON=CCOC=O;RGPQEQZIVKRVBX-UHFFFAOYSA-N;147.13;-0.23;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_Na";;;;;;;-0.24;;-3.24;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM456493;MM456493;COCON=CCC=NN;UIGVYUUZLBCNBD-UHFFFAOYSA-N;145.16;-0.07;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_Nd";;;;;;;-0.24;;-3.16;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM456494;MM456494;NN=C(C#CC1CC1)CF;UUUGOVDGRLOKRX-UHFFFAOYSA-N;140.16;0.68;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda_SC5";;;;;;;1.64;;0.05;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM456495;MM456495;COCON=CCC=NO;DOFURYMZTUFVIL-UHFFFAOYSA-N;146.15;0.44;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_Nda";;;;;;;-0.24;;-3.31;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM456496;MM456496;CN=C(C#CC1CC1)NC;RPJLJYJNYQMPTP-UHFFFAOYSA-N;136.2;0.65;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_SC5";;;;;;;1.64;;-2.35;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM456497;MM456497;CCCON=CNC=CF;CKLGXMMEBJBPQC-UHFFFAOYSA-N;146.17;1.39;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_Nda";;;;;;;1.64;;0.05;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM456498;MM456498;C=NNCC#CCCC#N;LKCYYUDNVOHAIL-UHFFFAOYSA-N;135.17;0.5;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_C5";;;;;;;0.81;;-0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM456499;MM456499;CC=COC=NOCCN;DIFZOSHNUBYYSO-UHFFFAOYSA-N;144.17;0.46;;;;;DOPC;MDCG;27;1;"MARTINI bead: C4_P3";;;;;;;0.23;;-2.47;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM456500;MM456500;CN=c1c(N)cnnn1C;ZLONJMCLEYDIFW-UHFFFAOYSA-N;139.16;-1.07;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP2_SP2";;;;;;;-1.34;;-4.31;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM456501;MM456501;NCCON=COC=NO;GFVDWNKOKMUMIT-UHFFFAOYSA-N;147.13;-0.66;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1_P1";;;;;;;-0.79;;-4.3;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM456502;MM456502;ON=C(C#CC1CC1)NO;OATDXRCEIBJITO-UHFFFAOYSA-N;140.14;0.17;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_SC5";;;;;;;0.54;;-1.09;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM456503;MM456503;CN=C(N)C(=O)C=CN;SCXOWEUKKNIVNP-UHFFFAOYSA-N;127.15;-0.99;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_P2";;;;;;;-1.34;;-4.31;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM456504;MM456504;CC=C(C#CC1CC1)OC;ANLARMZWKKLTFH-UHFFFAOYSA-N;136.19;1.95;;;;;DOPC;MDCG;27;0;"MARTINI bead: C3_SC5";;;;;;;3.34;;0.48;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM456505;MM456505;CC=COC=NOCOC;VEBODTWUKDJZIB-UHFFFAOYSA-N;145.16;1.1;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_C4";;;;;;;1.09;;-0.38;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM456506;MM456506;COC(C#CC1CC1)=CF;MLNRDWUJYLDTFW-UHFFFAOYSA-N;140.16;1.86;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_SC5";;;;;;;2.41;;0.64;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM456507;MM456507;COCON=COC=CF;BQHOGCPYTVRVMX-UHFFFAOYSA-N;149.12;1.01;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_C5";;;;;;;0.54;;-1.09;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM456508;MM456508;CC=C(C#CC1CN1)CC;OHNJZSUHEJPUAA-UHFFFAOYSA-N;135.21;1.32;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1_SP1";;;;;;;2.08;;0.5;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM456509;MM456509;CC=NOC=NOCCC;YOANCTDVIOQUGF-UHFFFAOYSA-N;144.17;1.38;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_Na";;;;;;;0.87;;-2.22;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM456510;MM456510;CCC(C#CC1CN1)=CF;SCAFTVTXMGFMDN-UHFFFAOYSA-N;139.17;1.23;;;;;DOPC;MDCG;27;0;"MARTINI bead: C2_SP1";;;;;;;2;;0.33;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM456511;MM456511;C=CCCC=CCC=CC;KTEZXMWHICDIGV-UHFFFAOYSA-N;136.24;3.48;;;;;DOPC;MDCG;27;0;"MARTINI bead: C2_C1";;;;;;;4.87;;0.53;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM456512;MM456512;CC=C(C#CC1CN1)CN;MBOJTWDVQPFGSQ-UHFFFAOYSA-N;136.2;-0.13;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_SP1";;;;;;;0.04;;-4.39;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM456513;MM456513;N#CCCC=CCC=CF;IYRJTWBSVUXWSK-UHFFFAOYSA-N;139.17;2.72;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4_N0";;;;;;;2.5;;0.44;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM456514;MM456514;NCC(C#CC1CN1)=CF;ZZDWJTKNXLRTIF-UHFFFAOYSA-N;140.16;-0.23;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1_SP1";;;;;;;-0.79;;-4.76;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM456515;MM456515;N#CCCC=CCC=NO;KUKGFTMTJCGXPC-UHFFFAOYSA-N;138.17;1.7;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda_N0";;;;;;;1.17;;-1.13;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM456516;MM456516;CN=C1NOCO1;VDYGLPWAFMYMOR-UHFFFAOYSA-N;102.09;-0.52;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP2_SP2";;;;;;;-1.34;;-4.31;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM456517;MM456517;C=NNCC=CCC=CC;QAEAAGJVJVQAPL-UHFFFAOYSA-N;138.21;1.71;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1_Nd";;;;;;;2.91;;0.64;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM456518;MM456518;C#CC1ONC(=N)O1;MDDNNKHCAGPRQV-UHFFFAOYSA-N;112.09;-0.57;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP2_SP2";;;;;;;-1.34;;-4.31;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM456519;MM456519;Nc1c(F)c(=O)on1N;BDGVYSWUBMXCPO-UHFFFAOYSA-N;133.08;-1.12;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNda_SP2";;;;;;;-0.24;;-3.31;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM456520;MM456520;CC=C(C#CC1CN1)CF;SWRPOXUIYNZSBE-UHFFFAOYSA-N;139.17;0.88;;;;;DOPC;MDCG;27;0;"MARTINI bead: C3_SP1";;;;;;;1.74;;0.3;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM456521;MM456521;C=NOCC=CCC=CC;CBQLGRYYZLEOTD-UHFFFAOYSA-N;139.2;2.14;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1_P1";;;;;;;2.08;;0.48;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM456522;MM456522;FC=C(C#CC1CN1)CF;WXVPNDPKIAOMFV-UHFFFAOYSA-N;143.14;0.78;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_SP1";;;;;;;0.81;;-0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM456523;MM456523;C=CCCC=CNC=NC;CXXRQSHEXHKIBA-UHFFFAOYSA-N;138.21;1.71;;;;;DOPC;MDCG;27;1;"MARTINI bead: P2_C1";;;;;;;1.8;;-2.24;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM456524;MM456524;C=CCCC=CNC=NN;RLKLVCKCATUWBU-UHFFFAOYSA-N;139.2;0.96;;;;;DOPC;MDCG;27;1;"MARTINI bead: P3_C1";;;;;;;0.94;;-0.89;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM456525;MM456525;CCC(C#CC1CN1)=NN;SCZRWZNIZFHNRJ-UHFFFAOYSA-N;137.19;-0.31;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_SP1";;;;;;;0.81;;-0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM456526;MM456526;CC=COC=CCCC#N;FLPWAVVAJGNPJB-UHFFFAOYSA-N;137.18;2.35;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_N0";;;;;;;1.17;;-1.18;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM456527;MM456527;C#CC=NNCC#C;LXOHPAFXUTZWBI-UHFFFAOYSA-N;106.13;-0.17;;;;;DOPC;MDCG;27;0;"MARTINI bead: N0_P1";;;;;;;0.34;;-1.53;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM456528;MM456528;N=CNCC=COC=CF;AVYBTFMHWKQJKC-UHFFFAOYSA-N;144.15;1.15;;;;;DOPC;MDCG;27;1;"MARTINI bead: C3_P3";;;;;;;0.6;;-4.51;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM456529;MM456529;O=CC1=NC2CC2N1;FUOOCOWGIQGTRX-UHFFFAOYSA-N;110.12;-0.67;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP2_SP2";;;;;;;-1.34;;-4.31;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM456530;MM456530;CN=C1C=C(F)C(=N)N1;QAROBNQNSAIKMA-UHFFFAOYSA-N;127.12;0.45;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNd_SNda";;;;;;;0.87;;-1.92;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM456531;MM456531;CN=C(C#CC1CN1)NC;XCCFODFSGQSTKW-UHFFFAOYSA-N;137.19;-0.79;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_SP1";;;;;;;0.04;;-4.88;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM456532;MM456532;O=CNCC=COC=CF;ONXXFKMYVXQJDD-UHFFFAOYSA-N;145.13;0.7;;;;;DOPC;MDCG;27;0;"MARTINI bead: N0_P1";;;;;;;0.34;;-1.53;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM456533;MM456533;C=NNC(C)C#CCF;DCIJELQWUUDHPE-UHFFFAOYSA-N;128.15;0.55;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nd_Na";;;;;;;0.87;;-1.88;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM456534;MM456534;C=NNCC=COC=CC;WXWOXFCEYIBYSO-UHFFFAOYSA-N;140.19;1.26;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_Nd";;;;;;;1.64;;0.02;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM456535;MM456535;C=CC#CC(C)NN=C;INWRXXVEFFIUDL-UHFFFAOYSA-N;122.17;0.77;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nd_N0";;;;;;;1.17;;-1.04;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM456536;MM456536;C=COCC=COC=CC;KMMDVDRRGLXCOJ-UHFFFAOYSA-N;140.18;2.21;;;;;DOPC;MDCG;27;0;"MARTINI bead: C3_Na";;;;;;;2.57;;0.45;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM456537;MM456537;C=NNCC(F)=C(C)F;UVPFKOBPHRZOSS-UHFFFAOYSA-N;134.13;1.36;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_P2";;;;;;;0.54;;-1.09;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM456538;MM456538;C=C1N=C(CF)NC1=N;ORJBCKBULOLXTF-UHFFFAOYSA-N;127.12;0.45;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNa_SP1";;;;;;;0.04;;-2.54;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM456539;MM456539;CC=C(C#CC1CN1)OC;UKIDQXKFYIJJTP-UHFFFAOYSA-N;137.18;0.51;;;;;DOPC;MDCG;27;0;"MARTINI bead: C3_SP1";;;;;;;1.74;;0.3;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM456540;MM456540;C=COCC=COC=NO;UXDQCCUPFUJQLY-UHFFFAOYSA-N;143.14;1.09;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda_Na";;;;;;;0.87;;-1.99;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM456541;MM456541;COC(C#CC1CN1)=CF;YTKHUQIUKALIIH-UHFFFAOYSA-N;141.15;0.42;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_SP1";;;;;;;0.81;;-0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM456542;MM456542;O=COCC=COC=NO;IXHBYUDNEDAXNL-UHFFFAOYSA-N;145.11;0.11;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda_P1";;;;;;;0.04;;-2.73;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM456543;MM456543;CONC(=N)C(F)CF;GWQSFKZFWCRJFN-UHFFFAOYSA-N;138.12;0.42;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_Na";;;;;;;-0.24;;-3.24;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM456544;MM456544;CC=CCC=COCC#N;IJBJUGLFQSUOER-UHFFFAOYSA-N;137.18;2.01;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1_P1";;;;;;;2.08;;0.48;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM456545;MM456545;CC=C(C#CC1CO1)CC;XMUOEGFYVYHXHO-UHFFFAOYSA-N;136.19;1.74;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1_SNa";;;;;;;2.91;;0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM456546;MM456546;C=CCOC=CCC=NN;MRUXJOLUAKCIDG-UHFFFAOYSA-N;140.19;1.04;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nd_C4";;;;;;;2.2;;0.32;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM456547;MM456547;CCC(C#CC1CO1)=CF;VUBFWCYCYVLPJV-UHFFFAOYSA-N;140.16;1.65;;;;;DOPC;MDCG;27;0;"MARTINI bead: C2_SNa";;;;;;;2.83;;0.35;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM456548;MM456548;C=CCOC=CCC=NO;UHCMCJLDSUOPPJ-UHFFFAOYSA-N;141.17;1.55;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_C4";;;;;;;1.37;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM456549;MM456549;CC=C(C#CC1CO1)CN;ADHIVSUCSZCFHH-UHFFFAOYSA-N;137.18;0.29;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_SNa";;;;;;;0.87;;-3.63;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM456550;MM456550;O=CCOC=CCC=NO;AOHHQQWNESYMMO-UHFFFAOYSA-N;143.14;0.57;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_Na";;;;;;;0.04;;-2.54;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM456551;MM456551;NCC(C#CC1CO1)=CF;HHZFYPQMYGYOIN-UHFFFAOYSA-N;141.15;0.2;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1_SNa";;;;;;;0.04;;-4.15;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM456552;MM456552;CN=CNC=COCC#N;HQBKJWIEDVEBGV-UHFFFAOYSA-N;139.16;0.25;;;;;DOPC;MDCG;27;1;"MARTINI bead: N0_P1";;;;;;;0.34;;-3.72;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM456553;MM456553;CC=C(C#CC1CO1)CO;MFIWCNPMFSJMDD-UHFFFAOYSA-N;138.17;0.33;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_SNa";;;;;;;1.64;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM456554;MM456554;C=CN1C=NC(=O)CC1;LZRYDKFQUHQUFC-UHFFFAOYSA-N;124.14;0.39;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNd_SP2";;;;;;;-0.24;;-3.16;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM456555;MM456555;OCC(C#CC1CO1)=CF;OWEKPDGTXYDBHX-UHFFFAOYSA-N;142.13;0.23;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda_SNa";;;;;;;0.87;;-1.99;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM456556;MM456556;CC=COC=COCC#N;JQCLAUFQSHHWTB-UHFFFAOYSA-N;139.15;1.55;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4_P1";;;;;;;1.37;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM456557;MM456557;CC=C(C#CC1CO1)CF;KWUUQIAYCHUQPK-UHFFFAOYSA-N;140.16;1.3;;;;;DOPC;MDCG;27;0;"MARTINI bead: C3_SNa";;;;;;;2.57;;0.45;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM456558;MM456558;O=CCOC=COC=CF;HCOQLWLYFTXGKU-UHFFFAOYSA-N;146.12;1.13;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_Na";;;;;;;0.87;;-2.22;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM456559;MM456559;FC=C(C#CC1CO1)CF;OXBKBXRIBIRBAO-UHFFFAOYSA-N;144.12;1.21;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_SNa";;;;;;;1.64;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM456560;MM456560;N#CCOC=COC=CF;DMSDEQZIIOOURQ-UHFFFAOYSA-N;143.12;1.46;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_Na";;;;;;;0.87;;-2.22;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM456561;MM456561;C#CC1=NC(=C)C(=N)N1;YBRPHCUUAWUZDF-UHFFFAOYSA-N;119.13;0.11;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP1_SP1";;;;;;;-0.79;;-3.13;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM456562;MM456562;C=NOCC(C)=CC(C)=O;SQXABTPPSOPSFX-UHFFFAOYSA-N;141.17;1.15;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_C5";;;;;;;0.81;;-0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM456563;MM456563;O=CCOC=COC=NO;ITMVOFNXMUHCRT-UHFFFAOYSA-N;145.11;0.11;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda_P2";;;;;;;-0.24;;-3.31;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM456564;MM456564;CCC(C#CC1CO1)=NO;FWECMRNPDDVBQN-UHFFFAOYSA-N;139.15;0.63;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda_SNa";;;;;;;0.87;;-1.99;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM456565;MM456565;CNN=C(C)C(C)(C)C#N;DCNKRSXJBHPQSY-UHFFFAOYSA-N;139.2;1.13;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nd_N0";;;;;;;1.17;;-1.04;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM456566;MM456566;CC#CC1ONC(=N)O1;KEKFFPPDJZJOQM-UHFFFAOYSA-N;126.12;-0.18;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNa_SP2";;;;;;;-0.24;;-3.24;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM456567;MM456567;C=CC(=O)CN(C)C(C)=O;SVOLWZUQSAXURY-UHFFFAOYSA-N;141.17;0.22;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_Na";;;;;;;-0.24;;-3.24;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM456568;MM456568;CN=C(C#CC1CO1)NC;KANQTDNJBVYBQJ-UHFFFAOYSA-N;138.17;-0.36;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_SNa";;;;;;;0.87;;-3.97;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM456569;MM456569;CN=c1oc(N)cn1N;SNRWETIVKKLXTQ-UHFFFAOYSA-N;128.14;-1.09;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP1_SP1";;;;;;;-0.79;;-3.13;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM456570;MM456570;C=C(CN(C)C=O)C(C)=O;OXZUUJUFNLHDRZ-UHFFFAOYSA-N;141.17;0.22;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_Na";;;;;;;-0.24;;-3.24;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM456571;MM456571;CC1NN=C(C#N)C1C;ZUBCSYXFEHQVOX-UHFFFAOYSA-N;123.16;0.49;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP1_SP1";;;;;;;-0.79;;-3.13;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM456572;MM456572;O=COCC=NNC=NO;YAXXTLZRPFIDPG-UHFFFAOYSA-N;145.12;-0.85;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_P1";;;;;;;-1.06;;-3.82;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM456573;MM456573;ON=C(C#CC1CO1)NO;WTOCOGPJUCDBRI-UHFFFAOYSA-N;142.11;-0.84;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_SNa";;;;;;;-0.24;;-3.24;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM456574;MM456574;N=CNCC=NOC=NN;GWFOHTRZMDUINH-UHFFFAOYSA-N;143.15;-0.91;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nda_P3";;;;;;;-1.1;;-7.4;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM456575;MM456575;CC=C(C#CC1CO1)OC;WJEAEDATMZPAHI-UHFFFAOYSA-N;138.17;0.94;;;;;DOPC;MDCG;27;0;"MARTINI bead: C3_SNa";;;;;;;2.57;;0.45;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM456576;MM456576;N=CNCC=NOC=NO;IJLOIJAMEZJVES-UHFFFAOYSA-N;144.13;-0.4;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nda_P3";;;;;;;-1.1;;-7.42;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM456577;MM456577;COC(C#CC1CO1)=CF;YQYJJUDPGABVCP-UHFFFAOYSA-N;142.13;0.85;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_SNa";;;;;;;1.64;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM456578;MM456578;O=CNCC=NOC=NO;AFSWFSAUSDTPNR-UHFFFAOYSA-N;145.12;-0.85;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda_P3";;;;;;;-1.1;;-3.97;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM456579;MM456579;C=CC(C#CC1CC1)=CC;SFADJJPIFIAHST-UHFFFAOYSA-N;132.21;2.53;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1_SC5";;;;;;;3.68;;0.46;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM456580;MM456580;C=NNCC=NOC=NO;MQXZUPAJGWDLGI-UHFFFAOYSA-N;144.13;-0.39;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda_P2";;;;;;;-0.24;;-3.31;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM456581;MM456581;C=CC(C#CC1CC1)=CF;DREXAWHWJGJBKG-UHFFFAOYSA-N;136.17;2.44;;;;;DOPC;MDCG;27;0;"MARTINI bead: C2_SC5";;;;;;;3.6;;0.34;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM456582;MM456582;C#CCC(=N)NC(=N)C=O;USANWUGOURSVHB-UHFFFAOYSA-N;137.14;-0.25;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nd_P3";;;;;;;-1.1;;-3.93;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM456583;MM456583;CC=C(C#CC1CC1)C=O;RPGVRDJCOQFMJD-UHFFFAOYSA-N;134.18;1.55;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_SC5";;;;;;;1.64;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM456584;MM456584;C=COCC=NOC=NO;KCSOJHCACVIAQA-UHFFFAOYSA-N;144.13;0.57;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_C5";;;;;;;0.54;;-1.09;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM456585;MM456585;CC=C(C#N)C#CC1CC1;GMYOUSDTDHZTCJ-UHFFFAOYSA-N;131.18;1.87;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_SC5";;;;;;;2.41;;0.64;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM456586;MM456586;NC=C(C#CC1CC1)C=O;ZAJZIDZDDRRHFS-UHFFFAOYSA-N;135.17;0.44;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_SC5";;;;;;;0.81;;-0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM456587;MM456587;CN(C=O)CC(N)=CC=O;KVATYBYAXYNSQJ-UHFFFAOYSA-N;142.16;-0.88;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_P2";;;;;;;-1.34;;-4.31;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM456588;MM456588;C=NNC(C)C=C(C)C#N;UHYOGWCFTHCGNR-UHFFFAOYSA-N;137.19;1.05;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nd_N0";;;;;;;1.17;;-1.04;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM456589;MM456589;N#CC(C#CC1CC1)=CN;NFLRERXPIPVAFN-UHFFFAOYSA-N;132.17;0.77;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_SC5";;;;;;;0.81;;-0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM456590;MM456590;NN=CON=CONC=O;SZFNASVEDYPSAJ-UHFFFAOYSA-N;146.11;-1.47;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_P2";;;;;;;-1.34;;-4.31;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM456591;MM456591;O=CC(C#CC1CC1)=CF;OAWOKACTIFDSDM-UHFFFAOYSA-N;138.14;1.45;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_SC5";;;;;;;1.64;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM456592;MM456592;C=CCCNC=NC=CF;CAXIROZJBJSSSQ-UHFFFAOYSA-N;142.18;1.62;;;;;DOPC;MDCG;27;1;"MARTINI bead: Na_Nd";;;;;;;0.87;;-3.5;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM456593;MM456593;N#CC(C#CC1CC1)=CF;GKWHQXZSQFJYSW-UHFFFAOYSA-N;135.14;1.78;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_SC5";;;;;;;1.64;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM456594;MM456594;CC=CN=CNCCC=O;CKSTWNYLZZGTHW-UHFFFAOYSA-N;140.19;0.73;;;;;DOPC;MDCG;27;1;"MARTINI bead: N0_P1";;;;;;;0.34;;-4.85;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM456595;MM456595;C=CC(C#CC1CC1)=NN;DLQVBLGIMXHTRZ-UHFFFAOYSA-N;134.18;0.9;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_SC5";;;;;;;2.41;;0.64;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM456596;MM456596;CC=CN=CNCCC#N;CIJNWRFATCYANH-UHFFFAOYSA-N;137.19;1.05;;;;;DOPC;MDCG;27;1;"MARTINI bead: C5_P2";;;;;;;0.54;;-4.23;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM456597;MM456597;C=CC(C#CC1CC1)=NO;KVYBYPXKVFYICN-UHFFFAOYSA-N;135.17;1.42;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda_SC5";;;;;;;1.64;;0.05;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM456598;MM456598;N#CCCNC=NC=CF;FIDLWARVBDXYNB-UHFFFAOYSA-N;141.15;0.96;;;;;DOPC;MDCG;27;1;"MARTINI bead: C5_P2";;;;;;;0.54;;-2.47;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM456599;MM456599;O=CC#CCC(F)=CC=O;SAGURKLYYIRXIE-UHFFFAOYSA-N;140.11;0.63;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_Na";;;;;;;1.64;;-6.28;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM456600;MM456600;C=CCNN=CCC=CC;HOWBEEWADRXBPS-UHFFFAOYSA-N;138.21;1.71;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1_P2";;;;;;;1.8;;0.4;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM456601;MM456601;C=CC(C#CC1CN1)=CC;XCKZVQDFIPCNER-UHFFFAOYSA-N;133.19;1.09;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1_SP1";;;;;;;2.08;;0.5;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM456602;MM456602;C=CCNN=CCC=CF;PRJGQDLAEPJDQC-UHFFFAOYSA-N;142.18;1.62;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_Nd";;;;;;;1.64;;0.02;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM456603;MM456603;C=CC(C#CC1CN1)=CF;CPJDGHMZJNAFIK-UHFFFAOYSA-N;137.16;1;;;;;DOPC;MDCG;27;0;"MARTINI bead: C2_SP1";;;;;;;2;;0.33;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM456604;MM456604;C=CC(=CN(C)C)C(C)=O;RZXIBPNAOXTTPC-UHFFFAOYSA-N;139.2;1.21;;;;;DOPC;MDCG;27;0;"MARTINI bead: N0_P1";;;;;;;0.34;;-1.53;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM456605;MM456605;CC=C(C#CC1CN1)C=O;TZSCLGRHBIEWHM-UHFFFAOYSA-N;135.17;0.11;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_SP1";;;;;;;0.04;;-2.54;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM456606;MM456606;CON=C(N)C(=O)C=CN;CSVOONBOABVLMW-UHFFFAOYSA-N;143.15;-1.05;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_P2";;;;;;;-1.34;;-4.31;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM456607;MM456607;CC=C(C#N)C#CC1CN1;CYODSCSSEMRXDI-UHFFFAOYSA-N;132.17;0.43;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_SP1";;;;;;;0.81;;-0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM456608;MM456608;C=CCNN=CCC=NN;AWWOSHKHSVWVNB-UHFFFAOYSA-N;140.19;0.08;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nd_Nd";;;;;;;0.87;;-2.11;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM456609;MM456609;NC=C(C#CC1CN1)C=O;JDXBWIWTAWKUHE-UHFFFAOYSA-N;136.15;-1;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_SP1";;;;;;;-0.79;;-3.13;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM456610;MM456610;N#CC(C#CC1CN1)=CN;HQKUNJZOYFHUOF-UHFFFAOYSA-N;133.15;-0.67;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_SP1";;;;;;;-0.79;;-3.13;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM456611;MM456611;O=CCNN=CCC=NO;PLJRRJRBAGHKSJ-UHFFFAOYSA-N;143.15;-0.39;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_Na";;;;;;;0.04;;-2.54;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM456612;MM456612;O=CC(C#CC1CN1)=CF;JNZWMXIFBUZAAT-UHFFFAOYSA-N;139.13;0.01;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_SP1";;;;;;;0.04;;-2.54;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM456613;MM456613;C=CCNNC=NC=CC;KNEGOJDZDNQOLO-UHFFFAOYSA-N;139.2;0.83;;;;;DOPC;MDCG;27;1;"MARTINI bead: C4_P3";;;;;;;0.23;;-2.93;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM456614;MM456614;N#CC(C#CC1CN1)=CF;LQJVLFCGHCYXTL-UHFFFAOYSA-N;136.13;0.34;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_SP1";;;;;;;0.04;;-2.54;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM456615;MM456615;CC=CN=CNNCC#N;NWTJNULUXDBEMI-UHFFFAOYSA-N;138.17;0.17;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_P1";;;;;;;0.04;;-4.47;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM456616;MM456616;C=CC(C#CC1CN1)=NN;GDBOSUYHFGPRSB-UHFFFAOYSA-N;135.17;-0.54;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_SP1";;;;;;;0.81;;-0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM456617;MM456617;C=CNC(=N)C(=O)C=CN;USKHIEDVSVMAJD-UHFFFAOYSA-N;139.16;-0.26;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_P2";;;;;;;-1.06;;-3.82;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM456618;MM456618;Cn1nncc(N)c1=N;MMQZIGSJMCLCFK-UHFFFAOYSA-N;125.14;-1.12;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP2_SP2";;;;;;;-1.34;;-4.31;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM456619;MM456619;C#CC(C)NNC(=N)C#N;KPRIJTPSDHABRV-UHFFFAOYSA-N;136.16;-0.4;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_P2";;;;;;;-1.06;;-3.82;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM456620;MM456620;C=CC(C#CC1CO1)=CC;SZVYPHXPSPVVMS-UHFFFAOYSA-N;134.18;1.52;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1_SNa";;;;;;;2.91;;0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM456621;MM456621;C#CC(C)=NNC(C)C#N;MVILGWOAWOSUEV-UHFFFAOYSA-N;135.17;0.5;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_C5";;;;;;;0.54;;-1.09;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM456622;MM456622;C=CC(C#CC1CO1)=CF;BYVVJFKUEKZIMZ-UHFFFAOYSA-N;138.14;1.43;;;;;DOPC;MDCG;27;0;"MARTINI bead: C2_SNa";;;;;;;2.83;;0.35;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM456623;MM456623;CC1(CF)CN=C(C#N)N1;CBGPHRJAYMNAQJ-UHFFFAOYSA-N;141.15;0.24;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP1_SP1";;;;;;;-0.79;;-3.13;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM456624;MM456624;CC=C(C#CC1CO1)C=O;IIVPUHBYWUUVLH-UHFFFAOYSA-N;136.15;0.53;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_SNa";;;;;;;0.87;;-2.22;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM456625;MM456625;O=CCNN=COC=NO;IMQNFCOIJRPQCP-UHFFFAOYSA-N;145.12;-0.85;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_Na";;;;;;;-0.24;;-3.24;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM456626;MM456626;CC=C(C#N)C#CC1CO1;ZKMBLFCQCINUAF-UHFFFAOYSA-N;133.15;0.86;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_SNa";;;;;;;1.64;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM456627;MM456627;C=NNCC(C)=C(C)C#N;FGYXHEPUGUUGGO-UHFFFAOYSA-N;137.19;1.05;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_C5";;;;;;;0.54;;-1.09;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM456628;MM456628;NC=C(C#CC1CO1)C=O;AENMGVGPRYCWGL-UHFFFAOYSA-N;137.14;-0.57;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_SNa";;;;;;;0.04;;-2.54;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM456629;MM456629;C=CCON=CCC=NO;NLYIDEDOKVUONB-UHFFFAOYSA-N;142.16;1.02;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_C5";;;;;;;0.81;;-0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM456630;MM456630;C#CC=NNCC#CC;MSEQVCRUGWXUEJ-UHFFFAOYSA-N;120.16;0.22;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4_P1";;;;;;;1.37;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM456631;MM456631;C=CCON=COC=CC;WWIXBVRKAJCWML-UHFFFAOYSA-N;141.17;1.68;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_C5";;;;;;;1.64;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM456632;MM456632;O=CC(C#CC1CO1)=CF;WWQWGWIWGGISDH-UHFFFAOYSA-N;140.11;0.44;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_SNa";;;;;;;0.87;;-2.22;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM456633;MM456633;CC=COC=NOCC#N;BBBZGSFSXXLJIJ-UHFFFAOYSA-N;140.14;1.02;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_Na";;;;;;;0.87;;-2.22;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM456634;MM456634;N#CCON=COC=CF;SZFVTPABAYGGLN-UHFFFAOYSA-N;144.11;0.93;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_Na";;;;;;;0.87;;-2.22;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM456635;MM456635;N#CC(C#CC1CO1)=CF;XOHSQSSSDKAGLS-UHFFFAOYSA-N;137.11;0.77;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_SNa";;;;;;;0.87;;-2.22;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM456636;MM456636;C=CCON=CCC#N;CQPOQUMMOYIAIC-UHFFFAOYSA-N;124.14;1.09;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_P1";;;;;;;0.81;;-0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM456637;MM456637;N#CCON=COC=NO;BJYDBLZGAVLHNB-UHFFFAOYSA-N;143.1;-0.1;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_P1";;;;;;;-0.79;;-3.13;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM456638;MM456638;C=CCON=CON=CC;HHFWOVNHZVHEHK-UHFFFAOYSA-N;142.16;1.15;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_C5";;;;;;;0.81;;-0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM456639;MM456639;C=CC(C#CC1CO1)=NO;RQOIKDAFFCJLCG-UHFFFAOYSA-N;137.14;0.4;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda_SNa";;;;;;;0.87;;-1.99;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM456640;MM456640;CCCNN=CC(C)C#N;LCWZNBCGSMTWBX-UHFFFAOYSA-N;139.2;1.13;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nd_N0";;;;;;;1.17;;-1.04;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM456641;MM456641;ON=CC(=NO)C(F)(F)F;OCEKGVJECYZLJW-UHFFFAOYSA-N;156.06;0.84;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_C5";;;;;;;0.81;;-6.28;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM456642;MM456642;C#CC(C#CC1CC1)=CC;DYFIKTVIMLJHJM-UHFFFAOYSA-N;130.19;1.98;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4_SC5";;;;;;;2.97;;0.45;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM456643;MM456643;C#CCCC=CCC=CC;VMVVJKCUVJUMIB-UHFFFAOYSA-N;134.22;2.92;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1_C5";;;;;;;3.68;;0.46;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM456644;MM456644;C#CC(C#CC1CC1)=CF;IEKDSJGYPRYJKT-UHFFFAOYSA-N;134.15;1.89;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_SC5";;;;;;;2.41;;0.64;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM456645;MM456645;C#CCCC=CCC=CF;PVGIFFCAFYKMND-UHFFFAOYSA-N;138.19;2.83;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4_C3";;;;;;;3.9;;0.47;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM456646;MM456646;C#CC(C#CC1CC1)=NN;MEDGJNBIGHVLLI-UHFFFAOYSA-N;132.17;0.35;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nd_SC5";;;;;;;1.64;;0.02;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM456647;MM456647;CC#CC(C#N)=C(N)C=O;HATFMYGZODYFQR-UHFFFAOYSA-N;134.14;-0.06;;;;;DOPC;MDCG;27;0;"MARTINI bead: N0_P1";;;;;;;0.34;;-1.53;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM456648;MM456648;C#CC(C#CC1CC1)=NO;ZNUXTUDWHKDOPN-UHFFFAOYSA-N;133.15;0.86;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda_SC5";;;;;;;1.64;;0.05;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM456649;MM456649;C#CCOC=CCC=CF;XLEHSRYVEYHVHC-UHFFFAOYSA-N;140.16;2.02;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4_Na";;;;;;;2.2;;0.34;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM456650;MM456650;C#CC(C#CC1CN1)=CC;RCZOUYJFSNICGZ-UHFFFAOYSA-N;131.18;0.54;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4_SP1";;;;;;;1.37;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM456651;MM456651;C#CCOC=COC=CC;ZRMIVQIPMVRYDW-UHFFFAOYSA-N;138.17;1.66;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_Na";;;;;;;1.64;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM456652;MM456652;C#CC(C#CC1CN1)=CF;UVQGUACVFZZNTR-UHFFFAOYSA-N;135.14;0.45;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_SP1";;;;;;;0.81;;-0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM456653;MM456653;C#CCOC=COC=CF;CEEUCQCKFMPWQQ-UHFFFAOYSA-N;142.13;1.56;;;;;DOPC;MDCG;27;0;"MARTINI bead: N0_Na";;;;;;;1.17;;-1.18;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM456654;MM456654;C#CC(C#CC1CN1)=NN;WKGNUWGFQPUFQL-UHFFFAOYSA-N;133.15;-1.09;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nd_SP1";;;;;;;0.04;;-2.63;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM456655;MM456655;C#CCCC=NOC=NO;BKSJREMTPNOLET-UHFFFAOYSA-N;140.14;0.82;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda_N0";;;;;;;1.17;;-1.13;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM456656;MM456656;C#CCNN=CCCF;LQRVCUZTGXLEHK-UHFFFAOYSA-N;128.15;0.55;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4_P3";;;;;;;0.23;;-1.03;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM456657;MM456657;C=NNCC(=CC)CC#N;WYFIJRHYCVKFKF-UHFFFAOYSA-N;137.19;1.05;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_P2";;;;;;;0.54;;-1.09;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM456658;MM456658;C#CC(C#CC1CO1)=CC;TWOSVXFGSKUNCR-UHFFFAOYSA-N;132.16;0.97;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4_SNa";;;;;;;2.2;;0.34;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM456659;MM456659;C#CC(C(=C)F)C(C)=NN;BILZSUBYHBOCJH-UHFFFAOYSA-N;140.16;1.05;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nd_C5";;;;;;;1.64;;0.02;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM456660;MM456660;C#CC(C#CC1CO1)=CF;JQUIGPXFIHCQJT-UHFFFAOYSA-N;136.13;0.88;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_SNa";;;;;;;1.64;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM456661;MM456661;C#CCON=CCC=CC;FPTDTDNDVQJPOT-UHFFFAOYSA-N;137.18;1.59;;;;;DOPC;MDCG;27;0;"MARTINI bead: C2_Na";;;;;;;2.83;;0.35;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM456662;MM456662;CN1CC1C(=O)N1CC1;JXIDLEWCDIFHQF-UHFFFAOYSA-N;126.16;-0.86;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP1_SP2";;;;;;;-1.06;;-3.82;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM456663;MM456663;C#CCON=CCC=NN;NVOBXTQVCDTNQW-UHFFFAOYSA-N;139.16;-0.04;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_N0";;;;;;;0.34;;-1.53;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM456664;MM456664;C#CC(C#CC1CO1)=NO;RVZZIBWEQHOMKX-UHFFFAOYSA-N;135.12;-0.15;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda_SNa";;;;;;;0.87;;-1.99;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM456665;MM456665;C#CCON=CCC=NO;ZPGYUSYZLHLCEF-UHFFFAOYSA-N;140.14;0.47;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_N0";;;;;;;0.34;;-1.53;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM456666;MM456666;CCC(=CCC1CC1)CC;DXJYKYJRXVUDCB-UHFFFAOYSA-N;138.25;3.53;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1_SC5";;;;;;;3.68;;0.46;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM456667;MM456667;C#CCONC=NC=CF;CQOPPGGDBPFZRM-UHFFFAOYSA-N;142.13;0.61;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_N0";;;;;;;0.34;;-1.53;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM456668;MM456668;CCC(=CCC1CC1)CN;HMWSQCJYODUDEY-UHFFFAOYSA-N;139.24;2.08;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_SC5";;;;;;;1.64;;-2.14;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM456669;MM456669;C#CCON=COC=CC;VJEBTMOJOXHOTL-UHFFFAOYSA-N;139.15;1.13;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_Na";;;;;;;0.87;;-2.22;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM456670;MM456670;C=NNC(C)(C)C(C)(F)F;DULBJHQJTJNECP-UHFFFAOYSA-N;150.17;1.63;;;;;DOPC;MDCG;27;0;"MARTINI bead: N0_Nd";;;;;;;1.17;;-1.04;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM456671;MM456671;C#CCON=COC=NO;HUHKFVFXKCZANW-UHFFFAOYSA-N;142.11;0.01;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_N0";;;;;;;0.34;;-1.53;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM456672;MM456672;NCC(=CCC1CC1)CN;OTTYINDECYMOBU-UHFFFAOYSA-N;140.23;0.63;;;;;DOPC;MDCG;27;1;"MARTINI bead: P5_SC5";;;;;;;-0.34;;-5.48;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM456673;MM456673;C#CCON=CON=CC;XRHFAUWBJNBBFK-UHFFFAOYSA-N;140.14;0.6;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_Na";;;;;;;0.87;;-2.22;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM456674;MM456674;OCC(=CCC1CC1)CO;HRCCFDVLVLXVJQ-UHFFFAOYSA-N;142.2;0.7;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_SC5";;;;;;;0.54;;-1.09;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM456675;MM456675;CC#CCC=CCCCC;AJIRLCBRIPLOLA-UHFFFAOYSA-N;136.24;3.15;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1_C3";;;;;;;4.61;;0.31;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM456676;MM456676;CCC(CC)=NNC1CC1;NBOJYJJWCBFAFS-UHFFFAOYSA-N;140.23;1.91;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4_SP1";;;;;;;1.37;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM456677;MM456677;CC#CCC=COCCC;UZKLHEFHNVOYHS-UHFFFAOYSA-N;138.21;2.34;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4_C4";;;;;;;3.53;;0.53;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM456678;MM456678;CCC(=COC1CC1)CC;IMNWVWDLEJACER-UHFFFAOYSA-N;140.23;2.87;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1_SP1";;;;;;;2.08;;0.48;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM456679;MM456679;CC#CCC=COCOC;ROYINJBOAIYTIZ-UHFFFAOYSA-N;140.18;1.53;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_C3";;;;;;;1.46;;-0.15;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM456680;MM456680;CCC(=COC1CC1)CN;WUCDBVDDWDGMCC-UHFFFAOYSA-N;141.21;1.42;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_SP1";;;;;;;0.04;;-4.81;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM456681;MM456681;CC#CCC=NNCCC;KZCFVBNMGQYOOG-UHFFFAOYSA-N;138.21;1.39;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nd_C4";;;;;;;2.2;;0.32;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM456682;MM456682;CCC(=COC1CC1)CO;RTDFHAQAEJSLQL-UHFFFAOYSA-N;142.2;1.45;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_SP1";;;;;;;0.81;;-0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM456683;MM456683;C=NN=CCC(C=O)=CF;IABFZLJCABTGAX-UHFFFAOYSA-N;142.13;1.12;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_N0";;;;;;;1.17;;-1.18;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM456684;MM456684;CCC(=COC1CC1)CF;ZHOZIXJHZGIDFU-UHFFFAOYSA-N;144.19;2.43;;;;;DOPC;MDCG;27;0;"MARTINI bead: C3_SP1";;;;;;;1.74;;0.29;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM456685;MM456685;CC#CCC=NOCCC;YHSUNVPYDKVJEG-UHFFFAOYSA-N;139.2;1.81;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_C5";;;;;;;1.64;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM456686;MM456686;CCC(CN)=NOC1CC1;SWEBKVOQBTUZHK-UHFFFAOYSA-N;142.2;0.89;;;;;DOPC;MDCG;27;1;"MARTINI bead: P2_SP1";;;;;;;-1.06;;-5.25;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM456687;MM456687;CC#CCC=NOCCN;OVSHPUOUWSMMPR-UHFFFAOYSA-N;140.19;0.36;;;;;DOPC;MDCG;27;1;"MARTINI bead: C4_P2";;;;;;;1.09;;-1.8;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM456688;MM456688;CCC(=CCC1CN1)CN;VYYSPZYELHWYLH-UHFFFAOYSA-N;140.23;0.64;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_SP1";;;;;;;0.04;;-4.88;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM456689;MM456689;CC#CCC=NOCOC;QSAIGHLZVXMMJH-UHFFFAOYSA-N;141.17;1.01;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_C4";;;;;;;1.37;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM456690;MM456690;NCC(=CCC1CN1)CO;GGUXKUUAOCQVFR-UHFFFAOYSA-N;142.2;-0.77;;;;;DOPC;MDCG;27;1;"MARTINI bead: P4_SP1";;;;;;;-2.01;;-6.98;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM456691;MM456691;C=CCCC=CCC#CC;LDESABYTJUMCTD-UHFFFAOYSA-N;134.22;2.92;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4_C1";;;;;;;4.24;;0.42;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM456692;MM456692;NCC(=CCC1CN1)CF;KZWWANKLWNKEIT-UHFFFAOYSA-N;144.19;0.2;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1_SP1";;;;;;;-0.79;;-5.31;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM456693;MM456693;CC#CCC=CCCC#N;LOUYMYSVBLMZFK-UHFFFAOYSA-N;133.19;2.26;;;;;DOPC;MDCG;27;0;"MARTINI bead: C3_P1";;;;;;;1.74;;0.29;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM456694;MM456694;CNC(=NCC1CN1)NC;YLOINEURRAQLDJ-UHFFFAOYSA-N;142.21;-1.25;;;;;DOPC;MDCG;27;1;"MARTINI bead: P2_SP1";;;;;;;-1.06;;-8.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM456695;MM456695;CCC(=CCC1CO1)CC;LRBOBFZXPKKVLR-UHFFFAOYSA-N;140.23;2.52;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1_SNa";;;;;;;2.91;;0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM456696;MM456696;C=NNCC=CCC#CC;WLWXMBMAIMHFPM-UHFFFAOYSA-N;136.2;1.16;;;;;DOPC;MDCG;27;0;"MARTINI bead: C3_P2";;;;;;;1.46;;-0.15;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM456697;MM456697;C=COCC=CCC#CC;OQOFYMHRPKCDIX-UHFFFAOYSA-N;136.19;2.12;;;;;DOPC;MDCG;27;0;"MARTINI bead: C3_Na";;;;;;;2.57;;0.45;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM456698;MM456698;CCC(=CCC1CO1)CN;XWRLFWNRHIOAEZ-UHFFFAOYSA-N;141.21;1.07;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_SNa";;;;;;;0.87;;-4.13;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM456699;MM456699;CC#CCC=CCOC=O;PGOBKNADCKEDHK-UHFFFAOYSA-N;138.17;1.13;;;;;DOPC;MDCG;27;0;"MARTINI bead: C3_P1";;;;;;;1.74;;0.29;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM456700;MM456700;CCC(=CCN1CC1)CC;BZOFFFVVCSXETD-UHFFFAOYSA-N;139.24;2.05;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1_SP1";;;;;;;2.08;;0.5;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM456701;MM456701;C=NOCC=CCC#CC;TZCFDOWTABYNRK-UHFFFAOYSA-N;137.18;1.59;;;;;DOPC;MDCG;27;0;"MARTINI bead: C3_P1";;;;;;;1.74;;0.29;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM456702;MM456702;CCC(=CCN1CC1)CN;XCKRQQIGLJUBCW-UHFFFAOYSA-N;140.23;0.6;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_SP1";;;;;;;0.04;;-4.87;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM456703;MM456703;CC#CCC=COCC#N;GPJCEFHHRIIBDE-UHFFFAOYSA-N;135.17;1.45;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4_Na";;;;;;;2.2;;0.34;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM456704;MM456704;CC(F)C(=N)NN(C)C=O;KIYRYJMVSWAQRF-UHFFFAOYSA-N;147.15;-0.09;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_P4";;;;;;;-0.41;;-2.78;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM456705;MM456705;C=CCNN=CCC#CC;LREMZJDTSGWZJF-UHFFFAOYSA-N;136.2;1.16;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4_Nd";;;;;;;2.2;;0.32;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM456706;MM456706;CCC(=CCN1CC1)CF;QUUJMKJHTXUGAC-UHFFFAOYSA-N;143.21;1.61;;;;;DOPC;MDCG;27;0;"MARTINI bead: C3_SP1";;;;;;;1.74;;0.3;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM456707;MM456707;C=NNC1C=C(C#N)CC1;HLYSINBAHWQGGT-UHFFFAOYSA-N;135.17;0.8;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNd_SN0";;;;;;;1.17;;-1.04;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM456708;MM456708;NCC(=CCN1CC1)CN;CKTGUNYHMRYSKQ-UHFFFAOYSA-N;141.22;-0.85;;;;;DOPC;MDCG;27;1;"MARTINI bead: P5_SP1";;;;;;;-1.94;;-7.98;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM456709;MM456709;C=CCON=CCC#CC;DJVZGAMNTFRZGS-UHFFFAOYSA-N;137.18;1.59;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4_C5";;;;;;;2.97;;0.45;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM456710;MM456710;NCC(=CCN1CC1)CO;USLXIXSMKVEKHX-UHFFFAOYSA-N;142.2;-0.82;;;;;DOPC;MDCG;27;1;"MARTINI bead: P4_SP1";;;;;;;-2.01;;-6.96;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM456711;MM456711;C#CCCC=CCC#CC;FRMFIVGRTRNDIW-UHFFFAOYSA-N;132.21;2.37;;;;;DOPC;MDCG;27;0;"MARTINI bead: C3_C5";;;;;;;3.34;;0.48;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM456712;MM456712;C=CC(=CCC1CC1)CC;HUCOEDFNXQMXDD-UHFFFAOYSA-N;136.24;3.31;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1_SC5";;;;;;;3.68;;0.46;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM456713;MM456713;CC(C)NN=CCF;ZBXZPVJAGMMDPH-UHFFFAOYSA-N;118.16;0.94;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_C5";;;;;;;0.81;;-0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM456714;MM456714;CCC(C=O)=CCC1CC1;JAGGOZFRGVAIRO-UHFFFAOYSA-N;138.21;2.32;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_SC5";;;;;;;1.64;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM456715;MM456715;CC=CCC=CCC=CC;BBFPZRRWGMAYNG-UHFFFAOYSA-N;136.24;3.48;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1_C2";;;;;;;4.87;;0.53;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM456716;MM456716;CCC(C#N)=CCC1CC1;CGVYJHYQMMEZEA-UHFFFAOYSA-N;135.21;2.65;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_SC5";;;;;;;2.41;;0.64;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM456717;MM456717;CC=CCC=CCC=NN;YYJKNQIYQSUOEQ-UHFFFAOYSA-N;138.21;1.84;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1_Nd";;;;;;;2.91;;0.63;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM456718;MM456718;C=CC(=CCC1CC1)CN;SKRAKOUDRUUOJZ-UHFFFAOYSA-N;137.23;1.86;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_SC5";;;;;;;1.64;;-2.1;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM456719;MM456719;CCCNN=CCF;PTMAQGJJLADNMS-UHFFFAOYSA-N;118.16;0.94;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nd_Na";;;;;;;0.87;;-1.88;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM456720;MM456720;C=CC(=CCC1CC1)CO;BQBBZOSWORAGAY-UHFFFAOYSA-N;138.21;1.89;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda_SC5";;;;;;;1.64;;0.05;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM456721;MM456721;CN=CNC=CCC=NO;ZLRRVHMLTNAGLV-UHFFFAOYSA-N;141.17;0.6;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_P1";;;;;;;0.04;;-6.21;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM456722;MM456722;O=CC(=CCC1CC1)CO;FOWRFKVJZDWRPJ-UHFFFAOYSA-N;140.18;0.9;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_SC5";;;;;;;0.54;;-1.09;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM456723;MM456723;CC=COC=CCC=CF;TZQSODDOUDPIHI-UHFFFAOYSA-N;142.17;2.92;;;;;DOPC;MDCG;27;0;"MARTINI bead: C3_C4";;;;;;;3.9;;0.47;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM456724;MM456724;N#CC(=CCC1CC1)CO;HKAKXTURLZFHIZ-UHFFFAOYSA-N;137.18;1.23;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_SC5";;;;;;;0.81;;-0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM456725;MM456725;CC=COC=CCC=NN;RXXCMVNVMJRURD-UHFFFAOYSA-N;140.19;1.38;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_Nd";;;;;;;1.64;;0.02;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM456726;MM456726;N#CC(=CCC1CC1)CF;LQFVMXURDJPHHJ-UHFFFAOYSA-N;139.17;2.21;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_SC5";;;;;;;1.64;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM456727;MM456727;CN=CNC=COC=NN;YSEHSJAKEXCBCF-UHFFFAOYSA-N;142.16;-0.38;;;;;DOPC;MDCG;27;1;"MARTINI bead: P2_Nda";;;;;;;-0.24;;-5.38;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM456728;MM456728;COC(C=O)=CCC1CC1;ZMKADNFZPVFGIW-UHFFFAOYSA-N;140.18;1.52;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_SC5";;;;;;;1.64;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM456729;MM456729;ON=CNC=COC=NO;CDVAGRBDABFYQR-UHFFFAOYSA-N;145.12;-0.1;;;;;DOPC;MDCG;27;0;"MARTINI bead: P3_Nda";;;;;;;-1.1;;-3.97;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM456730;MM456730;CC=COC=COC=CC;AHOYEGGAXJONKX-UHFFFAOYSA-N;140.18;2.56;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_C5";;;;;;;2.41;;0.64;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM456731;MM456731;COC(C#N)=CCC1CC1;FWVQLVAWYZAOTK-UHFFFAOYSA-N;137.18;1.84;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_SC5";;;;;;;1.64;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM456732;MM456732;CC=COC=COC=CF;XALQNQXTYAKFFI-UHFFFAOYSA-N;144.15;2.47;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_C5";;;;;;;1.64;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM456733;MM456733;CCC(C#N)=CNC1CC1;ZCALFSGDQZHXTI-UHFFFAOYSA-N;136.2;1.56;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_SP1";;;;;;;0.81;;-0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM456734;MM456734;C=CCNN=CCF;XSDBJNSDRGZTDT-UHFFFAOYSA-N;116.14;0.72;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_P2";;;;;;;0.54;;-1.09;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM456735;MM456735;O=CC(=CNC1CC1)CO;HVFURGYCVRQPQJ-UHFFFAOYSA-N;141.17;-0.19;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_SP1";;;;;;;-1.06;;-3.82;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM456736;MM456736;CC=COC=COC=NO;FHRYPYQUZCSITB-UHFFFAOYSA-N;143.14;1.44;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_Nda";;;;;;;0.87;;-1.99;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM456737;MM456737;CC(C)CON=CCC#N;FZLWMQQUKNIMHM-UHFFFAOYSA-N;140.19;1.56;;;;;DOPC;MDCG;27;0;"MARTINI bead: C3_P1";;;;;;;1.74;;0.29;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM456738;MM456738;FCC=NNC1CC1;ZMJNUXQTURFMKK-UHFFFAOYSA-N;116.14;0.69;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_SP1";;;;;;;-1.06;;-3.82;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM456739;MM456739;O=CC(=CNC1CC1)CF;FCDCMAHBWOMTBN-UHFFFAOYSA-N;143.16;0.79;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_SP1";;;;;;;0.04;;-2.54;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM456740;MM456740;ON=COC=COC=CF;ODBXOBHOMJSAPV-UHFFFAOYSA-N;147.11;1.35;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_C5";;;;;;;0.81;;-0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM456741;MM456741;N#CC(=CNC1CC1)CF;BKJHNWYYLSWDNH-UHFFFAOYSA-N;140.16;1.12;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_SP1";;;;;;;0.04;;-2.54;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM456742;MM456742;CC(C)(C)NN=CCF;HXARURSGPWWLBE-UHFFFAOYSA-N;132.18;1.33;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nd_C5";;;;;;;1.64;;0.02;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM456743;MM456743;COC(C=O)=CNC1CC1;XZCINFQXWPDLPW-UHFFFAOYSA-N;141.17;0.43;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_SP1";;;;;;;0.04;;-2.54;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM456744;MM456744;CNNC(=N)C(C)(F)F;CQFFGGPMUKXPJH-UHFFFAOYSA-N;137.13;0.34;;;;;DOPC;MDCG;27;0;"MARTINI bead: P4_N0";;;;;;;-0.88;;-3.74;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM456745;MM456745;C=CC(CC)=NNC1CC1;PHHWGHJUIJCQNH-UHFFFAOYSA-N;138.21;1.69;;;;;DOPC;MDCG;27;0;"MARTINI bead: N0_SP1";;;;;;;0.34;;-1.53;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM456746;MM456746;COCON=CC(C)F;ZWZZQRCQHJLNHD-UHFFFAOYSA-N;135.14;0.95;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_C5";;;;;;;0.81;;-0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM456747;MM456747;CC(F)CON=CCC#N;AUTSOHSRMIDTMZ-UHFFFAOYSA-N;144.15;1.26;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_P1";;;;;;;0.81;;-0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM456748;MM456748;CCC(C)NN=CCF;BBCXFVRIIGZKRX-UHFFFAOYSA-N;132.18;1.33;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nd_C5";;;;;;;1.64;;0.02;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM456749;MM456749;O=CC(CO)=NNC1CC1;OFKPSSGXPCRYQN-UHFFFAOYSA-N;142.16;-0.71;;;;;DOPC;MDCG;27;0;"MARTINI bead: P4_SP1";;;;;;;-2.01;;-5.13;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM456750;MM456750;ON=CCC=NOC=NO;VEVLGCCDIPXTFT-UHFFFAOYSA-N;145.12;0.26;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda_P2";;;;;;;-0.24;;-3.31;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM456751;MM456751;N#CC(CO)=NNC1CC1;SJIJSQWYYMPRRW-UHFFFAOYSA-N;139.16;-0.39;;;;;DOPC;MDCG;27;0;"MARTINI bead: P3_SP1";;;;;;;-1.93;;-4.72;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM456752;MM456752;CC=CCN=CNC=CC;MGGHVCCLNBQOOM-UHFFFAOYSA-N;138.21;1.71;;;;;DOPC;MDCG;27;1;"MARTINI bead: C2_P1";;;;;;;2;;-1.25;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM456753;MM456753;N#CCC=NOCC(F)F;KUKKRHQQJKPCDP-UHFFFAOYSA-N;148.11;1.17;;;;;DOPC;MDCG;27;0;"MARTINI bead: N0_Na";;;;;;;1.17;;-1.18;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM456754;MM456754;CC=CN=CNCC=NN;HRFKVZCILSILSO-UHFFFAOYSA-N;140.19;0.08;;;;;DOPC;MDCG;27;1;"MARTINI bead: C4_P3";;;;;;;0.23;;-3.54;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM456755;MM456755;C=CC(=COC1CC1)CC;PINKGWOWFPDGOT-UHFFFAOYSA-N;138.21;2.65;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1_SP1";;;;;;;2.08;;0.48;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM456756;MM456756;CC=CN=CNCC=NO;CIOIZYNGMDAOIJ-UHFFFAOYSA-N;141.17;0.6;;;;;DOPC;MDCG;27;1;"MARTINI bead: C4_P3";;;;;;;0.23;;-4;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM456757;MM456757;CCC(C=O)=COC1CC1;UGICCIVPPRWSHA-UHFFFAOYSA-N;140.18;1.66;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_SP1";;;;;;;0.04;;-2.54;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM456758;MM456758;CC=CN=CNNC=NC;ZCPBMPLXPCYRTC-UHFFFAOYSA-N;140.19;0.3;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_P2";;;;;;;-0.24;;-4.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM456759;MM456759;CCC(C#N)=COC1CC1;QBZLAVFZAMHUSG-UHFFFAOYSA-N;137.18;1.98;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_SP1";;;;;;;0.81;;-0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM456760;MM456760;C=CC(C)NN=CCF;BRTLCBPYXBOPTG-UHFFFAOYSA-N;130.17;1.11;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_C5";;;;;;;0.81;;-0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM456761;MM456761;C=CC(=COC1CC1)CN;LMWWBCFUYLERKC-UHFFFAOYSA-N;139.2;1.19;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_SP1";;;;;;;0.04;;-4.77;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM456762;MM456762;C#CCNN=C(C)CF;CUZRJFGXHVZRAB-UHFFFAOYSA-N;128.15;0.55;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4_P3";;;;;;;0.23;;-1.03;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM456763;MM456763;C=CC(=COC1CC1)CO;MILYTCFDNVSWTJ-UHFFFAOYSA-N;140.18;1.23;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda_SP1";;;;;;;0.04;;-2.73;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM456764;MM456764;NN=CNN=COC=NO;QMMAADXGPJOPQC-UHFFFAOYSA-N;145.12;-1.14;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_P2";;;;;;;-1.06;;-3.82;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM456765;MM456765;N#CC(=COC1CC1)CO;HVHQSYVKKXKWND-UHFFFAOYSA-N;139.15;0.57;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_SP1";;;;;;;-0.79;;-3.13;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM456766;MM456766;ON=CNN=COC=NO;JVMZKKXFMDPFJK-UHFFFAOYSA-N;146.11;-0.63;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_P2";;;;;;;-1.06;;-3.82;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM456767;MM456767;C=CC(=COC1CC1)OC;ICSBDOZTDPEESP-UHFFFAOYSA-N;140.18;1.84;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4_SP1";;;;;;;1.37;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM456768;MM456768;Cn1cnc(=O)c(N)c1;OIOVVQSUIIBNNU-UHFFFAOYSA-N;125.13;-0.64;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP2_SP1";;;;;;;-1.06;;-3.82;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM456769;MM456769;COC(C#N)=COC1CC1;DAFMHSFFQYAZFK-UHFFFAOYSA-N;139.15;1.18;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_SP1";;;;;;;0.04;;-2.54;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM456770;MM456770;CC=COC=NOC=NO;LZHBJQPKHDHYSM-UHFFFAOYSA-N;144.13;0.91;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_P2";;;;;;;0.54;;-1.09;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM456771;MM456771;CCC(C=O)=NOC1CC1;AKCDYJAUYVEFBC-UHFFFAOYSA-N;141.17;1.13;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_SP1";;;;;;;-0.79;;-3.13;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM456772;MM456772;C#CC1(C=C)CC=NN1;LSLNDNNTHSAVKL-UHFFFAOYSA-N;120.16;0.52;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNd_SP1";;;;;;;0.04;;-2.63;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM456773;MM456773;C=CC(=CCC1CN1)CN;XUOGEPBKOLQQRP-UHFFFAOYSA-N;138.21;0.42;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_SP1";;;;;;;0.04;;-4.83;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM456774;MM456774;CC#CCC=CCC=CC;WSJUWEIZNIEPLL-UHFFFAOYSA-N;134.22;2.92;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1_C4";;;;;;;4.24;;0.42;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM456775;MM456775;C=CC(=CCC1CO1)CC;HWHOTDBXMOWIRN-UHFFFAOYSA-N;138.21;2.3;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1_SNa";;;;;;;2.91;;0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM456776;MM456776;CC#CCC=CCC=CF;QRDQGSSMFCMKLG-UHFFFAOYSA-N;138.19;2.83;;;;;DOPC;MDCG;27;0;"MARTINI bead: C3_C4";;;;;;;3.9;;0.47;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM456777;MM456777;CCC(C#N)=CCC1CO1;CJIBDRYLGGLEPU-UHFFFAOYSA-N;137.18;1.64;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_SNa";;;;;;;1.64;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM456778;MM456778;CC#CCC=CCC=NN;YNPGQUPYZRPXHH-UHFFFAOYSA-N;136.2;1.29;;;;;DOPC;MDCG;27;0;"MARTINI bead: C3_Nd";;;;;;;2.57;;0.53;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM456779;MM456779;N#CC(=CCC1CO1)CF;VZAFELVGZQHTEE-UHFFFAOYSA-N;141.15;1.19;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_SNa";;;;;;;0.87;;-2.22;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM456780;MM456780;CC#CCC=CCC=NO;VEPCXKLMLZOMIV-UHFFFAOYSA-N;137.18;1.81;;;;;DOPC;MDCG;27;0;"MARTINI bead: C3_P1";;;;;;;1.74;;0.29;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM456781;MM456781;C=CC(=CCN1CC1)CC;ASFLOGVXQRPUDI-UHFFFAOYSA-N;137.23;1.82;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1_SP1";;;;;;;2.08;;0.51;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM456782;MM456782;CC#CCC=CN=CNN;NUDMOAQALLALLW-UHFFFAOYSA-N;137.19;0.41;;;;;DOPC;MDCG;27;1;"MARTINI bead: C3_P4";;;;;;;0.52;;-3.44;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM456783;MM456783;CCC(C=O)=CCN1CC1;OPRCVFLYOXPEPI-UHFFFAOYSA-N;139.2;0.84;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_SP1";;;;;;;0.04;;-2.54;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM456784;MM456784;CC#CCC=COC=CC;SZMPHXSTFNFISX-UHFFFAOYSA-N;136.19;2.46;;;;;DOPC;MDCG;27;0;"MARTINI bead: C3_C4";;;;;;;3.9;;0.47;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM456785;MM456785;CCC(C#N)=CCN1CC1;YGTKUCYEGHHCSS-UHFFFAOYSA-N;136.2;1.16;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_SP1";;;;;;;0.81;;-0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM456786;MM456786;COCCNN=CCF;GONNDFYXUGFQAB-UHFFFAOYSA-N;134.15;0.18;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_Na";;;;;;;-0.24;;-3.24;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM456787;MM456787;C=CC(=CCN1CC1)CN;WZLGULLCQCQULE-UHFFFAOYSA-N;138.21;0.37;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_SP1";;;;;;;0.04;;-4.83;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM456788;MM456788;CC#CCC=CCC#CC;YFRPSMCRNSOZLM-UHFFFAOYSA-N;132.21;2.37;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4_C3";;;;;;;3.9;;0.47;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM456789;MM456789;C=C(F)CON=CCC#N;OYIXQIZZTRKCPX-UHFFFAOYSA-N;142.13;1.39;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_P1";;;;;;;0.81;;-0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM456790;MM456790;CCC=CC=CCCCN;GLIJGOZMXYXWHP-UHFFFAOYSA-N;139.24;2.25;;;;;DOPC;MDCG;27;1;"MARTINI bead: C1_Nd";;;;;;;2.91;;-0.55;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM456791;MM456791;CN(C)C=NN=CCC#N;LNJYSJNMGDVJST-UHFFFAOYSA-N;138.17;0.48;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_C5";;;;;;;0.81;;-0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM456792;MM456792;NCC=CC=CCCCN;MJLFUZZFAFMGDZ-UHFFFAOYSA-N;140.23;0.8;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_Nd";;;;;;;0.87;;-5.01;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM456793;MM456793;O=CC(=CCN1CC1)CF;YVAFLDZIJDFLMG-UHFFFAOYSA-N;143.16;0.4;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_SP1";;;;;;;0.04;;-2.54;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM456794;MM456794;NCCCC=CC=CCO;FPMDXIQEKJUXDZ-UHFFFAOYSA-N;141.21;0.83;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_Nda";;;;;;;0.87;;-4.71;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM456795;MM456795;C=CC(=CCN1CC1)OC;UBSJGLNCWUQJNB-UHFFFAOYSA-N;139.2;1.02;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4_SP1";;;;;;;1.37;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM456796;MM456796;CCCNN=CCC#N;GKTRIQHRMWDAHG-UHFFFAOYSA-N;125.18;0.89;;;;;DOPC;MDCG;27;0;"MARTINI bead: C3_P1";;;;;;;1.74;;0.29;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM456797;MM456797;COC(C=O)=CCN1CC1;QUOYYYINYPTIAL-UHFFFAOYSA-N;141.17;0.03;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_SP1";;;;;;;0.04;;-2.54;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM456798;MM456798;OCC=CC=CCCCO;QVJVMWFSHIRKPH-UHFFFAOYSA-N;142.2;0.86;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda_Nda";;;;;;;0.87;;-2.07;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM456799;MM456799;C#CC(=CCC1CC1)CC;PEVMDYGGMQSAGW-UHFFFAOYSA-N;134.22;2.76;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4_SC5";;;;;;;2.97;;0.45;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM456800;MM456800;CCCCC=CC=COC;HOHLLOQHISHWBX-UHFFFAOYSA-N;140.23;2.89;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1_C5";;;;;;;3.68;;0.46;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM456801;MM456801;C#CC(=CCC1CC1)CN;KRBOCEZPNGKDMY-UHFFFAOYSA-N;135.21;1.3;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_SC5";;;;;;;1.64;;-1.69;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM456802;MM456802;CCC=CC=CCCNC;INMOUGUBOZYXGG-UHFFFAOYSA-N;139.24;2.12;;;;;DOPC;MDCG;27;1;"MARTINI bead: C1_Nd";;;;;;;2.91;;-0.8;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM456803;MM456803;C#CC(=CCC1CC1)CO;CBKABLWEBMQETL-UHFFFAOYSA-N;136.19;1.34;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda_SC5";;;;;;;1.64;;0.05;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM456804;MM456804;CNCCC=CC=CCO;JGCNMKDPLCACNJ-UHFFFAOYSA-N;141.21;0.7;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_Nda";;;;;;;0.87;;-4.97;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM456805;MM456805;C#CC(=CCC1CC1)CF;YYTVZMZYZCWPMO-UHFFFAOYSA-N;138.19;2.32;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_SC5";;;;;;;2.41;;0.64;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM456806;MM456806;CCC=CC=CCNCC;RKVGQVAOKNJEKV-UHFFFAOYSA-N;139.24;2.12;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_C1";;;;;;;2.91;;-0.24;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM456807;MM456807;C#CC(=CCC1CC1)OC;YDZVINRYZKXZJC-UHFFFAOYSA-N;136.19;1.95;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_SC5";;;;;;;1.64;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM456808;MM456808;CCNCC=CC=CCN;JESSRBOLMSPTBV-UHFFFAOYSA-N;140.23;0.67;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_Nd";;;;;;;0.87;;-4.77;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM456809;MM456809;C#CC(CC)=NNC1CC1;SAAXOWZKHGHSPG-UHFFFAOYSA-N;136.2;1.14;;;;;DOPC;MDCG;27;0;"MARTINI bead: N0_SP1";;;;;;;0.34;;-1.53;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM456810;MM456810;CCNCC=CC=CCO;WUMGZXWSGBKMQV-UHFFFAOYSA-N;141.21;0.7;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_Nda";;;;;;;0.87;;-4.36;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM456811;MM456811;CCN=CNC(=N)OC=O;YYSFYULERNYKSG-UHFFFAOYSA-N;143.15;-0.27;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nd_P2";;;;;;;-0.24;;-3.16;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM456812;MM456812;CCC=CC=CCOCC;KMEUFHOOIOKJAJ-UHFFFAOYSA-N;140.23;2.55;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_C1";;;;;;;2.91;;0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM456813;MM456813;C#CC(CF)=NNC1CC1;AHGPNBSWGDIYCI-UHFFFAOYSA-N;140.16;0.7;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_SP1";;;;;;;-0.79;;-3.13;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM456814;MM456814;C#CC(=COC1CC1)CC;QFEGOIPLBMGPOX-UHFFFAOYSA-N;136.19;2.09;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4_SP1";;;;;;;1.37;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM456815;MM456815;CCOCC=CC=CCN;XRRQTNFJUOAZCX-UHFFFAOYSA-N;141.21;1.09;;;;;DOPC;MDCG;27;1;"MARTINI bead: Na_Nd";;;;;;;0.87;;-4.12;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM456816;MM456816;NCCOC=CC=CCF;ZGTRDIJUSBATMX-UHFFFAOYSA-N;145.18;1;;;;;DOPC;MDCG;27;1;"MARTINI bead: P2_C4";;;;;;;1.09;;-2.36;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM456817;MM456817;C#CC(CC)=NOC1CC1;XOLKDAOTEVAHCF-UHFFFAOYSA-N;137.18;1.56;;;;;DOPC;MDCG;27;0;"MARTINI bead: N0_SP1";;;;;;;0.34;;-1.53;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM456818;MM456818;OCCOC=CC=CCF;UHEAFUDKUPWBKS-UHFFFAOYSA-N;146.16;1.03;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_C4";;;;;;;1.09;;-0.38;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM456819;MM456819;C#CC(=CCC1CN1)CN;FKSNPBSXSPSCBT-UHFFFAOYSA-N;136.2;-0.13;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_SP1";;;;;;;0.04;;-4.44;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM456820;MM456820;CCC=CC=COCCF;YUMVZPSCIDAQGB-UHFFFAOYSA-N;144.19;2.45;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1_P2";;;;;;;1.8;;0.4;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM456821;MM456821;C#CC(=CCC1CO1)CC;XPAKBWURADOXNR-UHFFFAOYSA-N;136.19;1.74;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4_SNa";;;;;;;2.2;;0.34;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM456822;MM456822;CCCOC=CC=COC;PIALSXHPWIJTTM-UHFFFAOYSA-N;142.2;2.09;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_C5";;;;;;;1.64;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM456823;MM456823;C#CC(=CCC1CO1)CN;OWBOHRFEPULYEA-UHFFFAOYSA-N;137.18;0.29;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_SNa";;;;;;;0.87;;-3.67;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM456824;MM456824;COC=CC=COCCN;PDMDDFMWMAQKIB-UHFFFAOYSA-N;143.19;0.64;;;;;DOPC;MDCG;27;1;"MARTINI bead: C5_P2";;;;;;;0.54;;-3.1;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM456825;MM456825;C#CC(=CCC1CO1)CO;KKYJNGNYXBHGRS-UHFFFAOYSA-N;138.17;0.33;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda_SNa";;;;;;;0.87;;-1.99;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM456826;MM456826;COC=CC=COCCO;NNJMUCYXWLQPLW-UHFFFAOYSA-N;144.17;0.67;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_P2";;;;;;;0.54;;-1.09;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM456827;MM456827;C#CC(=CCN1CC1)CC;FYHVKAGECGFUQY-UHFFFAOYSA-N;135.21;1.27;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4_SP1";;;;;;;1.37;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM456828;MM456828;CCC=CC=COCOC;VORSOYUYTFEMQV-UHFFFAOYSA-N;142.2;2.09;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1_P2";;;;;;;1.8;;0.4;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM456829;MM456829;C#CC(=CCN1CC1)CN;IMGPJNZDCMDSQZ-UHFFFAOYSA-N;136.2;-0.18;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_SP1";;;;;;;0.04;;-4.41;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM456830;MM456830;CCCOC=CC=NNC;XOZNFQBPNGMJGI-UHFFFAOYSA-N;142.2;1.13;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_Nd";;;;;;;0.87;;-1.88;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM456831;MM456831;C#CC(=CCN1CC1)OC;JIWVWFMNBUXSKT-UHFFFAOYSA-N;137.18;0.47;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_SP1";;;;;;;0.04;;-2.54;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM456832;MM456832;CCC=NN=CCCCC;WTBSMZCSBZLQOI-UHFFFAOYSA-N;140.23;2.64;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1_N0";;;;;;;3.21;;0.46;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM456833;MM456833;C=CC(C=C)=CCC1CC1;WNBMHSVEHIIKFH-UHFFFAOYSA-N;134.22;3.08;;;;;DOPC;MDCG;27;0;"MARTINI bead: C2_SC5";;;;;;;3.6;;0.34;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM456834;MM456834;C=NNCC1NC1C#N;PMZWZYUIMDNHHB-UHFFFAOYSA-N;124.15;-0.94;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_SP2";;;;;;;-1.34;;-4.31;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM456835;MM456835;C=CC(C=O)=CCC1CC1;NHCBLDSJGFLTHD-UHFFFAOYSA-N;136.19;2.1;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_SC5";;;;;;;1.64;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM456836;MM456836;OCC=NN=CCCCF;VCNBTRMMZWPPEN-UHFFFAOYSA-N;146.17;0.79;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_C4";;;;;;;1.09;;-0.38;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM456837;MM456837;C=CC(C#N)=CCC1CC1;VDKIHCKYGGHJQT-UHFFFAOYSA-N;133.19;2.42;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_SC5";;;;;;;2.41;;0.64;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM456838;MM456838;CCCCC=NN=COC;XVSNWAVINWMDLK-UHFFFAOYSA-N;142.2;1.84;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4_P1";;;;;;;1.37;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM456839;MM456839;O=CC(C=O)=CCC1CC1;SKZLPGKENUULKU-UHFFFAOYSA-N;138.17;1.11;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_SC5";;;;;;;1.64;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM456840;MM456840;COC=NN=CCCCN;CKYGRWHXCFZQBP-UHFFFAOYSA-N;143.19;0.39;;;;;DOPC;MDCG;27;1;"MARTINI bead: Na_Nd";;;;;;;0.87;;-4.66;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM456841;MM456841;N#CC(C=O)=CCC1CC1;FMRQAPMNQQOVRX-UHFFFAOYSA-N;135.17;1.44;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_SC5";;;;;;;1.64;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM456842;MM456842;COC=NN=CCCCO;MRQZEMQJQQGTNW-UHFFFAOYSA-N;144.17;0.42;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_Nda";;;;;;;0.87;;-1.99;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM456843;MM456843;N#CC(C#N)=CCC1CC1;YKDNXBIJHKTPRF-UHFFFAOYSA-N;132.17;1.76;;;;;DOPC;MDCG;27;0;"MARTINI bead: N0_SC5";;;;;;;1.94;;0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM456844;MM456844;COCCC=NN=CCO;IAFQJQUESGNWLL-UHFFFAOYSA-N;144.17;0.07;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_Nda";;;;;;;0.87;;-1.99;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM456845;MM456845;C=CC(C=O)=CNC1CC1;WZZRJTJXGJHLJU-UHFFFAOYSA-N;137.18;1.01;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_SP1";;;;;;;0.04;;-2.54;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM456846;MM456846;COC=NN=CCCOC;FSPBMBPWYLUZRT-UHFFFAOYSA-N;144.17;0.68;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_Na";;;;;;;0.87;;-2.22;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM456847;MM456847;C=CC(C#N)=CNC1CC1;RRKYLMFCKXPPEE-UHFFFAOYSA-N;134.18;1.33;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_SP1";;;;;;;0.81;;-0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM456848;MM456848;CCC=NN=CCOCC;NPLQVDXPLSKFOX-UHFFFAOYSA-N;142.2;1.49;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_C4";;;;;;;2.2;;0.34;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM456849;MM456849;N#CC(C=O)=CNC1CC1;XGOXGCHNWDPAOY-UHFFFAOYSA-N;136.15;0.34;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_SP1";;;;;;;0.04;;-2.54;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM456850;MM456850;CCOCC=NN=CCO;YHZYNXBOEVHBBT-UHFFFAOYSA-N;144.17;0.07;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_P2";;;;;;;0.54;;-1.09;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM456851;MM456851;N#CC(C#N)=CNC1CC1;NEKYOHCBSPHBQR-UHFFFAOYSA-N;133.15;0.67;;;;;DOPC;MDCG;27;0;"MARTINI bead: N0_SP1";;;;;;;0.34;;-1.53;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM456852;MM456852;CCOCC=NN=COC;PFPMSHIZKSROJJ-UHFFFAOYSA-N;144.17;0.68;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_P1";;;;;;;0.81;;-0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM456853;MM456853;C=CC(C=C)=NNC1CC1;JBXOSTOCTSFOPE-UHFFFAOYSA-N;136.2;1.47;;;;;DOPC;MDCG;27;0;"MARTINI bead: N0_SP1";;;;;;;0.34;;-1.53;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM456854;MM456854;CCCOC=NN=CCO;RKMWZNUOTGMFMQ-UHFFFAOYSA-N;144.17;0.42;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_Nda";;;;;;;0.87;;-1.99;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM456855;MM456855;C=NNC(C)C#CC=CC;PNVOJTBTVAQECE-UHFFFAOYSA-N;136.2;1.16;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4_Nd";;;;;;;2.2;;0.32;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM456856;MM456856;CCC=NN=COCCO;MZMIYHWLXLWZNA-UHFFFAOYSA-N;144.17;0.42;;;;;DOPC;MDCG;27;0;"MARTINI bead: C3_P2";;;;;;;1.46;;-0.15;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM456857;MM456857;C#CCNN=C(C)CC#C;KJQVEYQRUUZWFB-UHFFFAOYSA-N;134.18;0.61;;;;;DOPC;MDCG;27;0;"MARTINI bead: C3_P3";;;;;;;0.6;;-0.8;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM456858;MM456858;OCCOC=NN=CCF;SVGPPCNKHAQEPP-UHFFFAOYSA-N;148.14;-0.02;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_C5";;;;;;;0.54;;-1.09;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM456859;MM456859;C=CC(C=C)=COC1CC1;QFHINCFBSGJXAV-UHFFFAOYSA-N;136.19;2.42;;;;;DOPC;MDCG;27;0;"MARTINI bead: C2_SP1";;;;;;;2;;0.29;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM456860;MM456860;CCC=NN=COCCF;QDYMYHSJZODXEF-UHFFFAOYSA-N;146.17;1.4;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4_P2";;;;;;;1.09;;-0.38;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM456861;MM456861;C=CC(C=O)=COC1CC1;YXUYWONHUCJXBR-UHFFFAOYSA-N;138.17;1.43;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_SP1";;;;;;;0.04;;-2.54;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM456862;MM456862;OCC=NN=COCCF;BMCIWNRLZWGZEK-UHFFFAOYSA-N;148.14;-0.02;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_C5";;;;;;;0.54;;-1.09;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM456863;MM456863;C=CC(C#N)=COC1CC1;SXNVPBVMKYUDEU-UHFFFAOYSA-N;135.17;1.76;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_SP1";;;;;;;0.81;;-0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM456864;MM456864;CCCOC=NN=COC;CKIBBKLAUTVXFB-UHFFFAOYSA-N;144.17;1.03;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_Na";;;;;;;0.87;;-2.22;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM456865;MM456865;N#CC(C=O)=COC1CC1;KGHAZTUWZXCLEA-UHFFFAOYSA-N;137.14;0.77;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_SP1";;;;;;;0.04;;-2.54;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM456866;MM456866;COC=NN=COCCF;XBMPSYMPEKLPEC-UHFFFAOYSA-N;148.14;0.59;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_C5";;;;;;;0.81;;-0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM456867;MM456867;N#CC(C#N)=COC1CC1;LIVKKDGEZBBCAH-UHFFFAOYSA-N;134.14;1.1;;;;;DOPC;MDCG;27;0;"MARTINI bead: N0_SP1";;;;;;;0.34;;-1.53;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM456868;MM456868;CCC=NN=COCOC;LIWRPEICZVOKTC-UHFFFAOYSA-N;144.17;1.03;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4_P2";;;;;;;1.09;;-0.38;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM456869;MM456869;C=CC(C#N)=NOC1CC1;GNHFAUICLZTRKU-UHFFFAOYSA-N;136.15;1.23;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_SP1";;;;;;;-0.79;;-3.13;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM456870;MM456870;NCCNN=CC=CCF;RUZLESJLUDNQEQ-UHFFFAOYSA-N;145.18;0.05;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1_Nda";;;;;;;0.04;;-4.34;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM456871;MM456871;C=CC(C=O)=CCC1CO1;JPSQSRUXDDTBFS-UHFFFAOYSA-N;138.17;1.09;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_SNa";;;;;;;0.87;;-2.22;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM456872;MM456872;CNN=CC(F)(F)C=NN;NEZJGZWHFBPUJR-UHFFFAOYSA-N;150.13;-0.23;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nd_P1";;;;;;;0.04;;-2.63;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM456873;MM456873;C=CC(C#N)=CCC1CO1;CGNUZANXOVZALZ-UHFFFAOYSA-N;135.17;1.41;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_SNa";;;;;;;1.64;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM456874;MM456874;CCC=CC=NNCCF;GGJCLNFSHDKUKK-UHFFFAOYSA-N;144.19;1.5;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4_P2";;;;;;;1.09;;-0.38;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM456875;MM456875;O=CC(C=O)=CCC1CO1;SEJDTXIIWROFCB-UHFFFAOYSA-N;140.14;0.1;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_SNa";;;;;;;0.87;;-2.22;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM456876;MM456876;CCCNN=CC=COC;HWPQIOFGYCESNF-UHFFFAOYSA-N;142.2;1.13;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nd_Na";;;;;;;0.87;;-1.88;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM456877;MM456877;N#CC(C=O)=CCC1CO1;HTEKDBWGKXXGRA-UHFFFAOYSA-N;137.14;0.42;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_SNa";;;;;;;0.87;;-2.22;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM456878;MM456878;COC=CC=NNCCF;DZRUMCWHWYKFHL-UHFFFAOYSA-N;146.17;0.69;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_P2";;;;;;;0.54;;-1.09;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM456879;MM456879;N#CC(C#N)=CCC1CO1;BREOLRFJMDCKQW-UHFFFAOYSA-N;134.14;0.75;;;;;DOPC;MDCG;27;0;"MARTINI bead: N0_SNa";;;;;;;1.17;;-1.18;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM456880;MM456880;CCC=CC=NOCCC;BSXUUMWLNWKXKP-UHFFFAOYSA-N;141.21;2.37;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_C4";;;;;;;2.2;;0.34;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM456881;MM456881;C=CC(C=C)=CCN1CC1;JVWJBAZWQIKTRH-UHFFFAOYSA-N;135.21;1.6;;;;;DOPC;MDCG;27;0;"MARTINI bead: C2_SP1";;;;;;;2;;0.35;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM456882;MM456882;CCCON=CC=CCN;SIQFYUVZGSZHEE-UHFFFAOYSA-N;142.2;0.91;;;;;DOPC;MDCG;27;1;"MARTINI bead: Na_Nd";;;;;;;0.87;;-4.12;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM456883;MM456883;C=CC(C=O)=CCN1CC1;FQFFZONGLGMNFT-UHFFFAOYSA-N;137.18;0.61;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_SP1";;;;;;;0.04;;-2.54;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM456884;MM456884;CCCON=CC=CCF;FHRNEWQERRQCPY-UHFFFAOYSA-N;145.18;1.92;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_C4";;;;;;;2.2;;0.34;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM456885;MM456885;C=CC(C#N)=CCN1CC1;TULZCZVPYNJGMU-UHFFFAOYSA-N;134.18;0.94;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_SP1";;;;;;;0.81;;-0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM456886;MM456886;CCC=CC=NOCCN;XCPKPZGEEJJBFX-UHFFFAOYSA-N;142.2;0.91;;;;;DOPC;MDCG;27;1;"MARTINI bead: C5_P1";;;;;;;0.81;;-1.95;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM456887;MM456887;O=CC(C=O)=CCN1CC1;XRTKZJGXWBUSAG-UHFFFAOYSA-N;139.15;-0.37;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_SP1";;;;;;;0.04;;-2.54;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM456888;MM456888;NCCON=CC=CCF;OGKSXYRTOJGMHR-UHFFFAOYSA-N;146.17;0.47;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1_Na";;;;;;;0.04;;-3.99;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM456889;MM456889;CCC=CC=NOCOC;RKKVCNCASKQPAE-UHFFFAOYSA-N;143.19;1.56;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1_P2";;;;;;;1.8;;0.4;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM456890;MM456890;N#CC(C=O)=CCN1CC1;FZJBTCCXOGEDBG-UHFFFAOYSA-N;136.15;-0.05;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_SP1";;;;;;;0.04;;-2.54;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM456891;MM456891;N#CC(C#N)=CCN1CC1;WGBGBNAMBITCBH-UHFFFAOYSA-N;133.15;0.28;;;;;DOPC;MDCG;27;0;"MARTINI bead: N0_SP1";;;;;;;0.34;;-1.53;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM456892;MM456892;COCON=CC=CCN;BAHWWGVNXKCIKU-UHFFFAOYSA-N;144.17;0.11;;;;;DOPC;MDCG;27;1;"MARTINI bead: P2_Nd";;;;;;;-0.24;;-5.39;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM456893;MM456893;C#CC(C=C)=CCC1CC1;LFGNNBIRURFOFY-UHFFFAOYSA-N;132.21;2.53;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4_SC5";;;;;;;2.97;;0.45;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM456894;MM456894;COCON=CC=CCF;ZSYJTOSQAWRZHK-UHFFFAOYSA-N;147.15;1.12;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_C4";;;;;;;1.09;;-0.38;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM456895;MM456895;C#CC(C=O)=CCC1CC1;HUORQYYKCITWDQ-UHFFFAOYSA-N;134.18;1.55;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_SC5";;;;;;;1.64;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM456896;MM456896;COC=CC=NOCOC;MMQHMRIBPZZZFQ-UHFFFAOYSA-N;145.16;0.75;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_C5";;;;;;;0.54;;-1.09;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM456897;MM456897;C#CC(C#N)=CCC1CC1;QFADCSSBNPARDL-UHFFFAOYSA-N;131.18;1.87;;;;;DOPC;MDCG;27;0;"MARTINI bead: N0_SC5";;;;;;;1.94;;0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM456898;MM456898;CON=CC=NOCCN;FPMCTQRBKOWJRF-UHFFFAOYSA-N;145.16;-0.42;;;;;DOPC;MDCG;27;1;"MARTINI bead: Na_P2";;;;;;;-0.24;;-4.69;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM456899;MM456899;C#CC(C#N)=CNC1CC1;NAVXEDRFEQOTKW-UHFFFAOYSA-N;132.17;0.78;;;;;DOPC;MDCG;27;0;"MARTINI bead: N0_SP1";;;;;;;0.34;;-1.53;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM456900;MM456900;C=CC=CC=CCCCC;ADTDLWOIUYJQNC-UHFFFAOYSA-N;136.24;3.48;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1_C1";;;;;;;4.95;;0.69;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM456901;MM456901;C#CC(C=C)=NNC1CC1;MLDHGKQGKDZPHN-UHFFFAOYSA-N;134.18;0.91;;;;;DOPC;MDCG;27;0;"MARTINI bead: N0_SP1";;;;;;;0.34;;-1.53;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM456902;MM456902;C=CC=CC=CCCCN;YPFFUWJRXGNOSU-UHFFFAOYSA-N;137.23;2.02;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_C1";;;;;;;2.91;;-0.55;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM456903;MM456903;CCN=C(NNC)OC=O;ZIKOOXVURHPNIC-UHFFFAOYSA-N;145.16;-0.74;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_P4";;;;;;;-0.41;;-2.77;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM456904;MM456904;CCC(C)(C)NN=CCF;LQMZLDLBCMIBKG-UHFFFAOYSA-N;146.21;1.72;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1_P1";;;;;;;2.08;;0.48;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM456905;MM456905;C#CC(C=C)=COC1CC1;IUCSQTFVSKIGJZ-UHFFFAOYSA-N;134.18;1.87;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4_SP1";;;;;;;1.37;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM456906;MM456906;CCN=C(C=O)NN(C)C;QJVBEDOOYAARCC-UHFFFAOYSA-N;143.19;-0.33;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_P2";;;;;;;-0.24;;-3.24;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM456907;MM456907;C#CC(C#N)=COC1CC1;AZRQDJGIFPORSM-UHFFFAOYSA-N;133.15;1.21;;;;;DOPC;MDCG;27;0;"MARTINI bead: N0_SP1";;;;;;;0.34;;-1.53;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM456908;MM456908;N#CC=CC=CCCCF;VZVSDXSCNFPLGR-UHFFFAOYSA-N;139.17;2.37;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4_N0";;;;;;;2.5;;0.44;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM456909;MM456909;C#CC(C#N)=NOC1CC1;LZCFMVDTFLKRKV-UHFFFAOYSA-N;134.14;0.68;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_SP1";;;;;;;-0.79;;-3.13;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM456910;MM456910;CNCCC=CC=CC=O;FWYWADBTNXNACH-UHFFFAOYSA-N;139.2;0.91;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_Na";;;;;;;0.87;;-4.84;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM456911;MM456911;C#CC(C=C)=CCC1CO1;TUTNPNGGPFFGSM-UHFFFAOYSA-N;134.18;1.52;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4_SNa";;;;;;;2.2;;0.34;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM456912;MM456912;CNCCC=CC=CC#N;MMHBWRKWVDRETP-UHFFFAOYSA-N;136.2;1.23;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_C5";;;;;;;1.64;;-2.95;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM456913;MM456913;C#CC(C=O)=CCC1CO1;PDNSQPBOEWUBHE-UHFFFAOYSA-N;136.15;0.53;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_SNa";;;;;;;0.87;;-2.22;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM456914;MM456914;C=NN=CC=CCCCC;ZLMXUTQAHWQGAM-UHFFFAOYSA-N;138.21;2.42;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1_N0";;;;;;;3.21;;0.46;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM456915;MM456915;C#CC(C#N)=CCC1CO1;QYIODUBVJXHHAB-UHFFFAOYSA-N;133.15;0.86;;;;;DOPC;MDCG;27;0;"MARTINI bead: N0_SNa";;;;;;;1.17;;-1.18;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM456916;MM456916;C#CC(C=C)=CCN1CC1;YTIZHMJOIHZNQN-UHFFFAOYSA-N;133.19;1.05;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4_SP1";;;;;;;1.37;;-0.05;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM456917;MM456917;C=NN=CC=CCCCF;ITZYLSNKJVMWOL-UHFFFAOYSA-N;142.18;1.98;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4_C5";;;;;;;2.97;;0.45;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM456918;MM456918;C=NN=CC=CCCNC;ZCIAREJVULXWOA-UHFFFAOYSA-N;139.2;0.84;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_N0";;;;;;;1.17;;-4.1;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM456919;MM456919;C#CC(C=O)=CCN1CC1;IPIQCQJVIQACJM-UHFFFAOYSA-N;135.17;0.06;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_SP1";;;;;;;0.04;;-2.54;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM456920;MM456920;C#CC(C#N)=CCN1CC1;VGLWFUHECCEGOX-UHFFFAOYSA-N;132.17;0.39;;;;;DOPC;MDCG;27;0;"MARTINI bead: N0_SP1";;;;;;;0.34;;-1.53;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM456921;MM456921;C=CC=CC=CCNCC;DHJZAMHYPSUYCP-UHFFFAOYSA-N;137.23;1.89;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_C1";;;;;;;2.91;;-0.24;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM456922;MM456922;C#CC(C#C)=CCC1CC1;ZAVLCPDMTJYZEW-UHFFFAOYSA-N;130.19;1.98;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_SC5";;;;;;;2.41;;0.64;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM456923;MM456923;CCNCC=CC=CC=O;QADBKMRJKTVARM-UHFFFAOYSA-N;139.2;0.91;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_Na";;;;;;;0.87;;-4.23;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM456924;MM456924;C#CC(C#C)=NNC1CC1;CWGHYFGHKCSUEI-UHFFFAOYSA-N;132.17;0.36;;;;;DOPC;MDCG;27;0;"MARTINI bead: N0_SP1";;;;;;;0.34;;-1.53;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM456925;MM456925;CCNCC=CC=CC#N;JTAJBGSXVBLANB-UHFFFAOYSA-N;136.2;1.23;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_C5";;;;;;;1.64;;-2.34;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM456926;MM456926;C#CC(C#C)=COC1CC1;ODIYIVNEZYDIIJ-UHFFFAOYSA-N;132.16;1.32;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_SP1";;;;;;;0.81;;-0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM456927;MM456927;CCOCC=CC=CC#N;LMBTXLVHNDQPAJ-UHFFFAOYSA-N;137.18;1.66;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_C5";;;;;;;1.64;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM456928;MM456928;C#CC(C#C)=NOC1CC1;BVWVEQIHAUEVGF-UHFFFAOYSA-N;133.15;0.79;;;;;DOPC;MDCG;27;0;"MARTINI bead: N0_SP1";;;;;;;0.34;;-1.53;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM456929;MM456929;C=NNC=CC=NCCC;QSBGDVIJUIWMAR-UHFFFAOYSA-N;139.2;1.19;;;;;DOPC;MDCG;27;1;"MARTINI bead: C3_P2";;;;;;;1.46;;-3.57;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM456930;MM456930;C#CC(C#C)=CCC1CO1;UKCBMCWDLNUITA-UHFFFAOYSA-N;132.16;0.97;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_SNa";;;;;;;1.64;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM456931;MM456931;C=NNC=CC=NCCF;QHXGWKUMDXLKGX-UHFFFAOYSA-N;143.17;0.75;;;;;DOPC;MDCG;27;1;"MARTINI bead: Na_Nd";;;;;;;0.87;;-3.81;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM456932;MM456932;C#CC(C#C)=CCN1CC1;HOPKMSKMARBVFT-UHFFFAOYSA-N;131.18;0.49;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_SP1";;;;;;;0.81;;-0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM456933;MM456933;CCCOC=CC=CC#N;YFPRHQFAKCNIQN-UHFFFAOYSA-N;137.18;2.01;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_N0";;;;;;;1.17;;-1.18;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM456934;MM456934;CNC12CCC(C1C)C2C;WGGCAHFAFZFLST-UHFFFAOYSA-N;139.24;1.64;;;;;DOPC;MDCG;27;1;"MARTINI bead: SC5_SC4";;;;;;;2.97;;-0.55;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM456935;MM456935;C=CC=CC=COCCO;KXYXYBQDLGMNCV-UHFFFAOYSA-N;140.18;1.25;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_C4";;;;;;;1.37;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM456936;MM456936;C#CC12CCC(C1C)C2N;JZPFXJUXICQQDW-UHFFFAOYSA-N;135.21;0.99;;;;;DOPC;MDCG;27;1;"MARTINI bead: SC4_SNd";;;;;;;2.2;;-2.02;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM456937;MM456937;N#CC=CC=COCCF;KHTRUHDLJNWVEF-UHFFFAOYSA-N;141.15;1.57;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_N0";;;;;;;1.17;;-1.18;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM456938;MM456938;C#CC12CCN(C1C)C2C;WZJQPXUSTYAYPW-UHFFFAOYSA-N;135.21;1.1;;;;;DOPC;MDCG;27;1;"MARTINI bead: SNd_SP1";;;;;;;0.04;;-4.3;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM456939;MM456939;C=NN=CC=COCCN;MIMYGVJGGCTMAT-UHFFFAOYSA-N;141.17;0.16;;;;;DOPC;MDCG;27;1;"MARTINI bead: P2_C5";;;;;;;0.54;;-3.1;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM456940;MM456940;CCC1CCC2(CC)CC12;SGGHYCMQLCZLHQ-UHFFFAOYSA-N;138.25;3.22;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC1_SC2";;;;;;;4.87;;0.53;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM456941;MM456941;C=NN=CC=COCCO;AHEXYZUHSFTWAC-UHFFFAOYSA-N;142.16;0.2;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_C5";;;;;;;0.54;;-1.09;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM456942;MM456942;CCC12CCC(CN)C1C2;HXGPTJIOHPAFHN-UHFFFAOYSA-N;139.24;1.77;;;;;DOPC;MDCG;27;1;"MARTINI bead: SC2_SC5";;;;;;;3.6;;0.55;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM456943;MM456943;C=CC=NN=CCCCC;OSSUOTJWYBTCNM-UHFFFAOYSA-N;138.21;2.42;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1_C5";;;;;;;3.68;;0.46;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM456944;MM456944;Cn1cc(N)oc(=O)c1=N;YZBRIQRFIBJQOD-UHFFFAOYSA-N;141.13;-0.96;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP3_SP1";;;;;;;-1.93;;-4.72;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM456945;MM456945;CCCCC=NN=CC=O;OYPMAVNWYKQNFW-UHFFFAOYSA-N;140.19;1.43;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1_P1";;;;;;;2.08;;0.48;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM456946;MM456946;CCC12CCC(CF)C1C2;KMJLHSZZDJNARB-UHFFFAOYSA-N;142.22;2.78;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC2_SC3";;;;;;;4.53;;0.32;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM456947;MM456947;CCCCC=NN=CC#N;BQQSWOOKDNKOGN-UHFFFAOYSA-N;137.19;1.76;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1_P2";;;;;;;1.8;;0.4;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM456948;MM456948;CCC1CCC2(CN)CC12;RWLCUAAJPLFLBO-UHFFFAOYSA-N;139.24;1.77;;;;;DOPC;MDCG;27;1;"MARTINI bead: SC1_SNd";;;;;;;2.91;;-0.29;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM456949;MM456949;C=CC=NN=CCCCN;VEMGOMRNDQJTIH-UHFFFAOYSA-N;139.2;0.97;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_N0";;;;;;;1.17;;-3.82;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM456950;MM456950;NCC1CCC2(CN)CC12;WRHNDJKUZVIUAV-UHFFFAOYSA-N;140.23;0.32;;;;;DOPC;MDCG;27;1;"MARTINI bead: SC5_SNd";;;;;;;1.64;;-2.86;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM456951;MM456951;N#CCC=NNCC(F)F;LFEGKKMXNKDYGU-UHFFFAOYSA-N;147.13;0.74;;;;;DOPC;MDCG;27;0;"MARTINI bead: N0_Nd";;;;;;;1.17;;-1.04;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM456952;MM456952;NCC12CCC(CO)C1C2;XWETXVALPPJONW-UHFFFAOYSA-N;141.21;0.35;;;;;DOPC;MDCG;27;1;"MARTINI bead: SNd_SC5";;;;;;;1.64;;-2.39;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM456953;MM456953;N#CC=NN=CCCCO;GYUHSMHVZALPTH-UHFFFAOYSA-N;139.16;0.34;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda_N0";;;;;;;1.17;;-1.13;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM456954;MM456954;NCC12CCC(CF)C1C2;ZPEQBZGYNCDDNB-UHFFFAOYSA-N;143.21;1.33;;;;;DOPC;MDCG;27;1;"MARTINI bead: SNd_SC3";;;;;;;2.57;;-1.21;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM456955;MM456955;C=CC=NN=CCCCF;IAXNZZCBIPBDHW-UHFFFAOYSA-N;142.18;1.98;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4_N0";;;;;;;2.5;;0.44;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM456956;MM456956;C#CC(F)(C=NNC)CF;VMHUSEUTGHVERJ-UHFFFAOYSA-N;146.14;0.5;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda_Na";;;;;;;0.87;;-1.99;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM456957;MM456957;O=CC=NN=CCCCF;ZMYWXTASEUUEKS-UHFFFAOYSA-N;144.15;0.99;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_C5";;;;;;;2.41;;0.64;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM456958;MM456958;NCC1CCC2(CO)CC12;AEYIXFSFDNRAGX-UHFFFAOYSA-N;141.21;0.35;;;;;DOPC;MDCG;27;1;"MARTINI bead: SC5_SNda";;;;;;;1.64;;-2.68;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM456959;MM456959;C=CC=NN=CCCNC;PQIPZECXDGZNGH-UHFFFAOYSA-N;139.2;0.84;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_N0";;;;;;;1.17;;-3.6;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM456960;MM456960;C=CC(C=O)(CC)NN=C;YVJMESSKTBNSTG-UHFFFAOYSA-N;140.19;0.73;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4_P1";;;;;;;1.37;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM456961;MM456961;CNCCC=NN=CC#N;MBGFLGLXHZSJTA-UHFFFAOYSA-N;138.17;0.18;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_N0";;;;;;;1.17;;-3.57;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM456962;MM456962;CCC1CCC2(CF)CC12;CVKKZVNVMSYDRF-UHFFFAOYSA-N;142.22;2.78;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC1_SC5";;;;;;;3.68;;0.46;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM456963;MM456963;C=CC=NN=CCCOC;KYUNZEMYXNJXCB-UHFFFAOYSA-N;140.19;1.27;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_C5";;;;;;;1.64;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM456964;MM456964;NCC1CCC2(CF)CC12;XLSRBROPYOFKTH-UHFFFAOYSA-N;143.21;1.33;;;;;DOPC;MDCG;27;1;"MARTINI bead: SC5_SC5";;;;;;;2.41;;-0.49;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM456965;MM456965;COCCC=NN=CC=O;MFZBGGDHPARMAX-UHFFFAOYSA-N;142.16;0.28;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_Na";;;;;;;0.87;;-2.22;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM456966;MM456966;CCC1=NNC(C)(C=O)C1;XLJYXXZTNVOAQO-UHFFFAOYSA-N;140.19;0.7;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP1_SNda";;;;;;;0.04;;-2.73;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM456967;MM456967;COCCC=NN=CC#N;NVBCAYFQYPJRGO-UHFFFAOYSA-N;139.16;0.6;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_N0";;;;;;;1.17;;-1.18;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM456968;MM456968;FCC1CCC2(CF)CC12;YBCOMAMVMRUMEZ-UHFFFAOYSA-N;146.18;2.34;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC3_SC5";;;;;;;3.34;;0.48;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM456969;MM456969;C=CC=NN=CCOCC;YASPEMKSTQYQMP-UHFFFAOYSA-N;140.19;1.27;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_N0";;;;;;;1.94;;0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM456970;MM456970;CCC12CCC(NC)C1C2;QBCNAMVIDZBDJI-UHFFFAOYSA-N;139.24;1.78;;;;;DOPC;MDCG;27;1;"MARTINI bead: SC2_SNd";;;;;;;2.83;;-1.19;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM456971;MM456971;CCOCC=NN=CC=O;LSWNQHHNUMVMFQ-UHFFFAOYSA-N;142.16;0.28;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_Na";;;;;;;0.87;;-2.22;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM456972;MM456972;CNC1CCC2(CN)CC12;FCPYGUMICWPRJZ-UHFFFAOYSA-N;140.23;0.33;;;;;DOPC;MDCG;27;1;"MARTINI bead: SNd_SNd";;;;;;;0.87;;-5.44;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM456973;MM456973;CCOCC=NN=CC#N;JUUGLZPOGDJAET-UHFFFAOYSA-N;139.16;0.6;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_N0";;;;;;;1.17;;-1.18;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM456974;MM456974;CNC1CCC2(CO)CC12;GPKPYYQAUMQRQZ-UHFFFAOYSA-N;141.21;0.37;;;;;DOPC;MDCG;27;1;"MARTINI bead: SNd_SNda";;;;;;;0.87;;-4.87;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM456975;MM456975;C=CC=NN=COCCC;PROQRILGAUPGLM-UHFFFAOYSA-N;140.19;1.61;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_C5";;;;;;;1.64;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM456976;MM456976;CNC1CCC2(CF)CC12;INCAQUJAUDKZCH-UHFFFAOYSA-N;143.21;1.34;;;;;DOPC;MDCG;27;1;"MARTINI bead: SNd_SC5";;;;;;;1.64;;-3.15;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM456977;MM456977;CCCOC=NN=CC#N;IYFAKTFLVLDOFG-UHFFFAOYSA-N;139.16;0.95;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_N0";;;;;;;1.17;;-1.18;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM456978;MM456978;CCC12CCC(OC)C1C2;BBCAUKRWIRNKPF-UHFFFAOYSA-N;140.23;2.21;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC2_SC5";;;;;;;3.6;;0.34;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM456979;MM456979;C=CC=NN=COCCO;BUJONHYFNRFDLI-UHFFFAOYSA-N;142.16;0.2;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_C4";;;;;;;1.09;;-0.38;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM456980;MM456980;N#CC=NN=COCCF;XDLJZWKOTHGZMF-UHFFFAOYSA-N;143.12;0.51;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_Na";;;;;;;1.64;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM456981;MM456981;COC1CCC2(CN)CC12;GNJRLEQMIGUJRY-UHFFFAOYSA-N;141.21;0.76;;;;;DOPC;MDCG;27;1;"MARTINI bead: SC5_SNd";;;;;;;1.64;;-2.38;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM456982;MM456982;COC1CCC2(CO)CC12;CFJWMNAEHCLWEA-UHFFFAOYSA-N;142.2;0.79;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC5_SNda";;;;;;;1.64;;0.05;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM456983;MM456983;CCCNN=CC=CC#N;OPMXXVQDSRWJFW-UHFFFAOYSA-N;137.19;1.05;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nd_N0";;;;;;;1.17;;-1.04;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM456984;MM456984;CCC1CCC2(NC)CC12;DBTMFZWJYZQZKP-UHFFFAOYSA-N;139.24;1.78;;;;;DOPC;MDCG;27;1;"MARTINI bead: SC1_SNd";;;;;;;2.91;;-0.66;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM456985;MM456985;C=CC=CC=NNCCN;ZOIAAYAXXSFYSM-UHFFFAOYSA-N;139.2;0.26;;;;;DOPC;MDCG;27;1;"MARTINI bead: P4_C1";;;;;;;0.85;;-2.16;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM456986;MM456986;CNC12CCC(CN)C1C2;SHCVNRHSCCOHNL-UHFFFAOYSA-N;140.23;0.33;;;;;DOPC;MDCG;27;1;"MARTINI bead: SNd_SC5";;;;;;;1.64;;-3.05;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM456987;MM456987;C=NOCON=CC(C)F;ZHBAFSJLZPIYQM-UHFFFAOYSA-N;148.14;0.94;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_P2";;;;;;;0.54;;-1.09;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM456988;MM456988;CCCC(C)NN=CCF;VMYWAPFVBPNKJF-UHFFFAOYSA-N;146.21;1.72;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1_P1";;;;;;;2.08;;0.48;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM456989;MM456989;CNC12CCC(CO)C1C2;UCLUMJAZJPOYMQ-UHFFFAOYSA-N;141.21;0.37;;;;;DOPC;MDCG;27;1;"MARTINI bead: SNd_SC5";;;;;;;1.64;;-2.51;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM456990;MM456990;CNC1CCC2(NC)CC12;VSVGTYRYRLVZMP-UHFFFAOYSA-N;140.23;0.35;;;;;DOPC;MDCG;27;1;"MARTINI bead: SNd_SNd";;;;;;;0.87;;-5.16;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM456991;MM456991;C=CC=CC=NOCCC;OMHLODVNCIWSRT-UHFFFAOYSA-N;139.2;2.14;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_C5";;;;;;;1.64;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM456992;MM456992;CCCON=CC=CC=O;MOSDZUWQJBVTGC-UHFFFAOYSA-N;141.17;1.15;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_Na";;;;;;;1.64;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM456993;MM456993;CNC12CCC(OC)C1C2;SDBCLZQGSWPYRQ-UHFFFAOYSA-N;141.21;0.77;;;;;DOPC;MDCG;27;1;"MARTINI bead: SNd_SC5";;;;;;;1.64;;-2.58;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM456994;MM456994;CCCON=CC=CC#N;OZCNSBFFYQGKDX-UHFFFAOYSA-N;138.17;1.48;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_N0";;;;;;;1.17;;-1.18;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM456995;MM456995;CCC1CCC2(OC)CC12;XCYWHAXTLYXTOC-UHFFFAOYSA-N;140.23;2.21;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC1_SC5";;;;;;;3.68;;0.46;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM456996;MM456996;CC(CCF)NN=CCF;JXVZGJTULPDYQZ-UHFFFAOYSA-N;150.17;1.28;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4_P1";;;;;;;1.37;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM456997;MM456997;COC12CCC(CN)C1C2;JMSGVSNXPWWRIH-UHFFFAOYSA-N;141.21;0.76;;;;;DOPC;MDCG;27;1;"MARTINI bead: SC5_SC5";;;;;;;2.41;;-0.49;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM456998;MM456998;C#CCC(C)NN=CCF;MDRVFBHJIKLNFI-UHFFFAOYSA-N;142.18;0.94;;;;;DOPC;MDCG;27;0;"MARTINI bead: N0_Nda";;;;;;;1.17;;-1.13;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM456999;MM456999;COC12CCC(CO)C1C2;ANNNXMQPOJKESR-UHFFFAOYSA-N;142.2;0.79;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC5_SC5";;;;;;;2.41;;0.64;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM457000;MM457000;O=CC=CC=NOCCF;GITIGEIJLSRXBG-UHFFFAOYSA-N;145.13;0.71;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_P1";;;;;;;0.81;;-0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM457001;MM457001;COC12CCC(CF)C1C2;WUSJTXYYTBNSIC-UHFFFAOYSA-N;144.19;1.77;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC5_SC3";;;;;;;3.34;;0.48;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM457002;MM457002;COCON=CC=CC#N;NLNIAWFIMGMIGC-UHFFFAOYSA-N;140.14;0.67;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_N0";;;;;;;0.34;;-1.53;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM457003;MM457003;CNC1CCC2(OC)CC12;PIRRKOBDMYZNGA-UHFFFAOYSA-N;141.21;0.77;;;;;DOPC;MDCG;27;1;"MARTINI bead: SNd_SC5";;;;;;;1.64;;-2.93;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM457004;MM457004;C=NN=CC=NOCCN;NIGLLEROYFSVFF-UHFFFAOYSA-N;142.16;-0.37;;;;;DOPC;MDCG;27;1;"MARTINI bead: P2_N0";;;;;;;0.06;;-3.66;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM457005;MM457005;COC1CCC2(OC)CC12;DWEVKCOIBNCGGC-UHFFFAOYSA-N;142.2;1.2;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC5_SC5";;;;;;;2.41;;0.64;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM457006;MM457006;C=NN=CC=NOCOC;SGOLBXZREVXYCT-UHFFFAOYSA-N;143.15;0.28;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_C5";;;;;;;0.54;;-1.09;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM457007;MM457007;CCC1NCC2(CC)CC12;QLQPVTWHZZFXEX-UHFFFAOYSA-N;139.24;1.78;;;;;DOPC;MDCG;27;1;"MARTINI bead: SNd_SN0";;;;;;;1.17;;-4.86;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM457008;MM457008;C#CC=CC=CCCCC;IVHAOXILUZEKLQ-UHFFFAOYSA-N;134.22;2.92;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1_C4";;;;;;;4.24;;0.42;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM457009;MM457009;CCC12CNC(CN)C1C2;YMOBALKFSXWMIM-UHFFFAOYSA-N;140.23;0.33;;;;;DOPC;MDCG;27;1;"MARTINI bead: SN0_SP1";;;;;;;0.34;;-4.8;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM457010;MM457010;CC=CC(C)NN=CCF;QSCGEPBICYXEDA-UHFFFAOYSA-N;144.19;1.5;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1_P1";;;;;;;2.08;;0.48;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM457011;MM457011;CCC12CNC(CO)C1C2;GNISRDRUSGXUIP-UHFFFAOYSA-N;141.21;0.37;;;;;DOPC;MDCG;27;1;"MARTINI bead: SN0_SP1";;;;;;;0.34;;-4.63;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM457012;MM457012;C#CC=CC=CCCNC;CXNGERQSXHBWSV-UHFFFAOYSA-N;135.21;1.34;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_C4";;;;;;;2.2;;-2.47;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM457013;MM457013;CCC12CNC(CF)C1C2;QAIHUYOGMPWNKV-UHFFFAOYSA-N;143.21;1.34;;;;;DOPC;MDCG;27;1;"MARTINI bead: SN0_SNda";;;;;;;1.17;;-3.31;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM457014;MM457014;C#CC=CC=CCCOC;ZAOPEOICYJEJDV-UHFFFAOYSA-N;136.19;1.77;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_C4";;;;;;;2.2;;0.34;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM457015;MM457015;CCC1NCC2(CN)CC12;OWRGRVOSXZJMGC-UHFFFAOYSA-N;140.23;0.33;;;;;DOPC;MDCG;27;1;"MARTINI bead: SNd_SP2";;;;;;;-0.24;;-6.6;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM457016;MM457016;C#CC=CC=CCNCC;SANZBAHDWZFKHE-UHFFFAOYSA-N;135.21;1.34;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_C4";;;;;;;2.2;;-1.87;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM457017;MM457017;NCC1NCC2(CN)CC12;MCXKIGULRZZQFI-UHFFFAOYSA-N;141.22;-1.12;;;;;DOPC;MDCG;27;1;"MARTINI bead: SP1_SP2";;;;;;;-1.06;;-6.54;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM457018;MM457018;C#CC=CC=CCOCC;USXVRHFVPZVWKV-UHFFFAOYSA-N;136.19;1.77;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_C4";;;;;;;2.2;;0.34;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM457019;MM457019;NCC12CNC(CO)C1C2;MKUGXMNHVPHNRV-UHFFFAOYSA-N;142.2;-1.08;;;;;DOPC;MDCG;27;1;"MARTINI bead: SP2_SP1";;;;;;;-1.06;;-6.64;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM457020;MM457020;C#CC=CC=COCCN;HYOCOGZEESSRPO-UHFFFAOYSA-N;137.18;0.66;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1_C5";;;;;;;0.81;;-2.51;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM457021;MM457021;CCC1NCC2(CO)CC12;JFTMDWRJKTZBCV-UHFFFAOYSA-N;141.21;0.37;;;;;DOPC;MDCG;27;1;"MARTINI bead: SNd_SP2";;;;;;;-0.24;;-6.45;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM457022;MM457022;C#CC=CC=COCCO;LZSIFADKCZZHQA-UHFFFAOYSA-N;138.17;0.7;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_C4";;;;;;;1.09;;-0.38;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM457023;MM457023;NCC1NCC2(CO)CC12;WTPDGDZXGNOTFZ-UHFFFAOYSA-N;142.2;-1.08;;;;;DOPC;MDCG;27;1;"MARTINI bead: SP1_SP2";;;;;;;-1.06;;-6.61;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM457024;MM457024;C#CC=CC=COCOC;IPIWAVHZHRYZQG-UHFFFAOYSA-N;138.17;1.31;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_C4";;;;;;;1.09;;-0.38;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM457025;MM457025;CCC1NCC2(CF)CC12;MJOMYPHTOYRFDN-UHFFFAOYSA-N;143.21;1.34;;;;;DOPC;MDCG;27;1;"MARTINI bead: SNd_SNa";;;;;;;0.87;;-5.34;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM457026;MM457026;C#CC=NN=CCCCC;FDYUABLYRWFTMK-UHFFFAOYSA-N;136.2;1.87;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1_P1";;;;;;;2.08;;0.48;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM457027;MM457027;NCC1NCC2(CF)CC12;VRVFWRROBOXIPU-UHFFFAOYSA-N;144.19;-0.11;;;;;DOPC;MDCG;27;1;"MARTINI bead: SP1_SNa";;;;;;;0.04;;-5.45;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM457028;MM457028;C#CC=NN=CCCCN;CGTAERRKGCICKT-UHFFFAOYSA-N;137.19;0.42;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_C5";;;;;;;1.64;;-2.68;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM457029;MM457029;OCC1NCC2(CF)CC12;UPMWBYHTASOHOX-UHFFFAOYSA-N;145.18;-0.07;;;;;DOPC;MDCG;27;1;"MARTINI bead: SP1_SNa";;;;;;;0.04;;-5.28;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM457030;MM457030;C#CC=NN=CCCCF;RKUGDMVQGCLUNR-UHFFFAOYSA-N;140.16;1.43;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_C4";;;;;;;2.97;;0.45;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM457031;MM457031;CCC1NCC2(NC)CC12;ZETIDKNNNURLRF-UHFFFAOYSA-N;140.23;0.35;;;;;DOPC;MDCG;27;1;"MARTINI bead: SNd_SP2";;;;;;;-0.24;;-6.2;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM457032;MM457032;C#CC=NN=CCOCC;QKOPDXOHOKGUIB-UHFFFAOYSA-N;138.17;0.71;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_C5";;;;;;;1.64;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM457033;MM457033;CCC1NCC2(OC)CC12;QSFHYXNOVDBEFR-UHFFFAOYSA-N;141.21;0.77;;;;;DOPC;MDCG;27;1;"MARTINI bead: SNd_SP1";;;;;;;0.04;;-5.78;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM457034;MM457034;C#CC=NN=COCCC;NDVLBLYMSISHBK-UHFFFAOYSA-N;138.17;1.06;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_C5";;;;;;;1.64;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM457035;MM457035;COC12CNC(CO)C1C2;QZZNFKUGKHNIRL-UHFFFAOYSA-N;143.19;-0.64;;;;;DOPC;MDCG;27;1;"MARTINI bead: SP1_SP1";;;;;;;-0.79;;-5.57;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM457036;MM457036;C#CC=NN=COCCF;ZJBCRUMLIYMASI-UHFFFAOYSA-N;142.13;0.62;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_Na";;;;;;;1.64;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM457037;MM457037;CCC1OCC2(CC)CC12;YTXNDELPJNENKV-UHFFFAOYSA-N;140.23;2.21;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC5_SN0";;;;;;;1.94;;0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM457038;MM457038;C#CC=NN=COCOC;RRUXVIJETJMOIO-UHFFFAOYSA-N;140.14;0.25;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_C5";;;;;;;0.54;;-1.09;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM457039;MM457039;CCC12COC(CN)C1C2;DYEALEKPIBACKD-UHFFFAOYSA-N;141.21;0.76;;;;;DOPC;MDCG;27;1;"MARTINI bead: SN0_SP1";;;;;;;0.34;;-3.6;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM457040;MM457040;C#CC=CC=NNCCN;OXTGYWFFJUYALY-UHFFFAOYSA-N;137.19;-0.29;;;;;DOPC;MDCG;27;1;"MARTINI bead: P4_C4";;;;;;;0.15;;-3.75;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM457041;MM457041;CCC1OCC2(CN)CC12;QXPGFWYWDKIYJK-UHFFFAOYSA-N;141.21;0.76;;;;;DOPC;MDCG;27;1;"MARTINI bead: SC5_SP1";;;;;;;0.81;;-2.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM457042;MM457042;C=NNC(C)C(=O)CCC;OIEAKJIDUUUXJZ-UHFFFAOYSA-N;142.2;0.95;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_Nd";;;;;;;1.64;;0.02;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM457043;MM457043;NCC1OCC2(CN)CC12;NDUYDMBNQSSNDL-UHFFFAOYSA-N;142.2;-0.69;;;;;DOPC;MDCG;27;1;"MARTINI bead: SP1_SP1";;;;;;;-0.79;;-5.71;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM457044;MM457044;C#CC=CC=NOCCC;AMSBGPGNDXLRQX-UHFFFAOYSA-N;137.18;1.59;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_N0";;;;;;;1.17;;-1.18;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM457045;MM457045;CCC1OCC2(CO)CC12;PWENENKSJCQXRS-UHFFFAOYSA-N;142.2;0.79;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC5_SP1";;;;;;;0.81;;-0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM457046;MM457046;CNC=C(F)C(=O)N(C)N;IDPCDNORYZMQJA-UHFFFAOYSA-N;147.15;-0.65;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_Nda";;;;;;;-0.24;;-3.31;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM457047;MM457047;CCC1OCC2(CF)CC12;BJPKDQVWQPHLMZ-UHFFFAOYSA-N;144.19;1.77;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC5_SNa";;;;;;;1.64;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM457048;MM457048;C#CC=CC=NOCOC;FVCSEIFEWPEBKT-UHFFFAOYSA-N;139.15;0.78;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_C4";;;;;;;1.09;;-0.38;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM457049;MM457049;NCC1OCC2(CF)CC12;HGCWWCCJPHAFKN-UHFFFAOYSA-N;145.18;0.32;;;;;DOPC;MDCG;27;1;"MARTINI bead: SP1_SNa";;;;;;;0.04;;-4.6;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM457050;MM457050;C=CCCC=CC=NNC;AOLACGVTYBMNTK-UHFFFAOYSA-N;138.21;1.71;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_C1";;;;;;;1.8;;0.4;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM457051;MM457051;COC1OCC2(CN)CC12;RVTLRXFTADQUOI-UHFFFAOYSA-N;143.19;-0.05;;;;;DOPC;MDCG;27;1;"MARTINI bead: SNa_SP1";;;;;;;0.04;;-4.95;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM457052;MM457052;CNN=CC=CCCC#N;LEKJCFVZHFUCFT-UHFFFAOYSA-N;137.19;1.05;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nd_N0";;;;;;;1.17;;-1.04;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM457053;MM457053;COC1OCC2(CO)CC12;UNNBBUMXTILXSL-UHFFFAOYSA-N;144.17;-0.01;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNa_SP1";;;;;;;0.04;;-2.54;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM457054;MM457054;CON=CC=CCCC#N;NKYHOYQXDGPPMI-UHFFFAOYSA-N;138.17;1.48;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_N0";;;;;;;1.17;;-1.18;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM457055;MM457055;COC12COC(CN)C1C2;OHFMHPUNEXPQKI-UHFFFAOYSA-N;143.19;-0.25;;;;;DOPC;MDCG;27;1;"MARTINI bead: SNa_SP1";;;;;;;0.04;;-4.6;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM457056;MM457056;N=CNCC=CC=CCF;FKOFAQIMXHKTOT-UHFFFAOYSA-N;142.18;1.26;;;;;DOPC;MDCG;27;1;"MARTINI bead: C3_P3";;;;;;;0.6;;-4.53;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM457057;MM457057;COC1OCC2(OC)CC12;OVPYJIPFYVFCBW-UHFFFAOYSA-N;144.17;0.39;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNa_SNa";;;;;;;0.87;;-2.22;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM457058;MM457058;O=CNCC=CC=CCO;SINVHYIQGVCWSS-UHFFFAOYSA-N;141.17;-0.16;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4_P3";;;;;;;0.23;;-1.03;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM457059;MM457059;CCC1CNC2(CC)CC12;SVWHWTXKMFEBOD-UHFFFAOYSA-N;139.24;1.78;;;;;DOPC;MDCG;27;1;"MARTINI bead: SN0_SNd";;;;;;;1.17;;-4.91;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM457060;MM457060;C=NNCC=CC=CCC;PYAZJVKKNSQIIN-UHFFFAOYSA-N;138.21;1.71;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1_Nd";;;;;;;2.91;;0.64;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM457061;MM457061;CCC12CC1C(CN)CN2;YNANHOLTKMSNDT-UHFFFAOYSA-N;140.23;0.33;;;;;DOPC;MDCG;27;1;"MARTINI bead: SNd_SP2";;;;;;;-0.24;;-6.66;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM457062;MM457062;CNN=CC=CCNC=N;UZWQFLILNNYKJO-UHFFFAOYSA-N;140.19;-0.06;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_P2";;;;;;;-0.24;;-7.16;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM457063;MM457063;CCC12CC1C(CO)CN2;YMBMBRQDRIMTOF-UHFFFAOYSA-N;141.21;0.37;;;;;DOPC;MDCG;27;1;"MARTINI bead: SNd_SP1";;;;;;;0.04;;-5.98;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM457064;MM457064;C=NNCC=CC=NOC;YLGSYHWGQNPFSS-UHFFFAOYSA-N;141.17;0.38;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_Nd";;;;;;;0.87;;-1.88;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM457065;MM457065;CCC1CNC2(CN)CC12;CHIJSASWBCLRQY-UHFFFAOYSA-N;140.23;0.33;;;;;DOPC;MDCG;27;1;"MARTINI bead: SN0_SP2";;;;;;;0.06;;-5.49;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM457066;MM457066;CNN=CC=CCOC=O;CQAQBZARPQRTDV-UHFFFAOYSA-N;142.16;-0.08;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nd_Na";;;;;;;0.87;;-1.88;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM457067;MM457067;NCC1CNC2(CN)CC12;XMNCRRSTUKARGF-UHFFFAOYSA-N;141.22;-1.12;;;;;DOPC;MDCG;27;1;"MARTINI bead: SP2_SP2";;;;;;;-1.34;;-7.16;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM457068;MM457068;C=NOCC=CC=NOC;OOMNCBAOAGKZLB-UHFFFAOYSA-N;142.16;0.81;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_Na";;;;;;;0.87;;-2.22;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM457069;MM457069;NCC12CC1C(CO)CN2;OGAVTDQIOCIRFE-UHFFFAOYSA-N;142.2;-1.08;;;;;DOPC;MDCG;27;1;"MARTINI bead: SP2_SP1";;;;;;;-1.06;;-6.65;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM457070;MM457070;CON=CC=CNNC=N;RXMQMMAMLCIVSK-UHFFFAOYSA-N;142.16;-0.17;;;;;DOPC;MDCG;27;1;"MARTINI bead: Na_P4";;;;;;;-1.19;;-7.14;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM457071;MM457071;CCC1CNC2(CO)CC12;RVQIRRVEUUZIQY-UHFFFAOYSA-N;141.21;0.37;;;;;DOPC;MDCG;27;1;"MARTINI bead: SN0_SP1";;;;;;;0.34;;-4.68;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM457072;MM457072;C=CCOC=CC=CCO;BECMZERRDDACPU-UHFFFAOYSA-N;140.18;1.25;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda_Na";;;;;;;0.87;;-1.99;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM457073;MM457073;NCC1CNC2(CO)CC12;BOUHZQVSCVOKPJ-UHFFFAOYSA-N;142.2;-1.08;;;;;DOPC;MDCG;27;1;"MARTINI bead: SP2_SP1";;;;;;;-1.06;;-6.75;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM457074;MM457074;CCC=CC=COCC=O;WAHFPOVMTMFWSV-UHFFFAOYSA-N;140.18;1.68;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1_P2";;;;;;;1.8;;0.4;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM457075;MM457075;CCC1CNC2(CF)CC12;XKPREYUDCHIKHM-UHFFFAOYSA-N;143.21;1.34;;;;;DOPC;MDCG;27;1;"MARTINI bead: SN0_SNda";;;;;;;1.17;;-3.34;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM457076;MM457076;O=CCOC=CC=CCF;SKFMNWRDPLWVMX-UHFFFAOYSA-N;144.15;1.24;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_Na";;;;;;;1.64;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM457077;MM457077;NCC1CNC2(CF)CC12;IXPFMHNOYHUYNX-UHFFFAOYSA-N;144.19;-0.11;;;;;DOPC;MDCG;27;1;"MARTINI bead: SP2_SNda";;;;;;;-0.24;;-5.86;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM457078;MM457078;COC=CC=COCC#N;GBGWWJVCRRXPPC-UHFFFAOYSA-N;139.15;1.2;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_Na";;;;;;;0.87;;-2.22;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM457079;MM457079;OCC1CNC2(CF)CC12;LKQDHJHQIHVGDQ-UHFFFAOYSA-N;145.18;-0.07;;;;;DOPC;MDCG;27;1;"MARTINI bead: SP1_SNda";;;;;;;0.04;;-4.43;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM457080;MM457080;O=CCCC=NN=CCO;NHFXURRDGRURBR-UHFFFAOYSA-N;142.16;0.01;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda_Na";;;;;;;0.87;;-1.99;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM457081;MM457081;CCC12CC1C(NC)CN2;FCWLWPOWAPQXJU-UHFFFAOYSA-N;140.23;0.35;;;;;DOPC;MDCG;27;1;"MARTINI bead: SNd_SP1";;;;;;;0.04;;-5.56;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM457082;MM457082;N#CCCC=NN=CCF;OKTOKJYLHCPGIT-UHFFFAOYSA-N;141.15;1.32;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4_P1";;;;;;;1.37;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM457083;MM457083;CNC1CNC2(CN)CC12;FWNXNAWFNXFSAP-UHFFFAOYSA-N;141.22;-1.11;;;;;DOPC;MDCG;27;1;"MARTINI bead: SP1_SP2";;;;;;;-1.06;;-6.34;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM457084;MM457084;COC=NN=CCCC=O;UEEURFIPYYOXII-UHFFFAOYSA-N;142.16;0.63;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_C5";;;;;;;0.81;;-0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM457085;MM457085;CNC1CNC2(CO)CC12;ZXPBVDRDCKGJAB-UHFFFAOYSA-N;142.2;-1.07;;;;;DOPC;MDCG;27;1;"MARTINI bead: SP1_SP1";;;;;;;-0.79;;-5.47;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM457086;MM457086;CCC=NN=CCNC=N;UGOYZWOUHOTQEO-UHFFFAOYSA-N;140.19;0.65;;;;;DOPC;MDCG;27;1;"MARTINI bead: C1_P3";;;;;;;0.94;;-3.27;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM457087;MM457087;CNC1CNC2(CF)CC12;CCDHFDVCIWEPKF-UHFFFAOYSA-N;144.19;-0.09;;;;;DOPC;MDCG;27;1;"MARTINI bead: SP1_SNda";;;;;;;0.04;;-4.98;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM457088;MM457088;CCC=NN=CCNC=O;UHSLJHOFNAEAJN-UHFFFAOYSA-N;141.17;0.2;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1_P3";;;;;;;0.94;;0.03;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM457089;MM457089;CCC12CC1C(OC)CN2;MTZMJKGIXJLXTD-UHFFFAOYSA-N;141.21;0.77;;;;;DOPC;MDCG;27;1;"MARTINI bead: SNd_SP1";;;;;;;0.04;;-5.57;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM457090;MM457090;COC=NN=CCNC=O;JBIPRLPYQWEOPO-UHFFFAOYSA-N;143.15;-0.61;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_P3";;;;;;;-0.33;;-2.01;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM457091;MM457091;COC1CNC2(CN)CC12;XLLXWIIAZURIOM-UHFFFAOYSA-N;142.2;-0.68;;;;;DOPC;MDCG;27;1;"MARTINI bead: SP1_SP2";;;;;;;-1.06;;-6.34;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM457092;MM457092;C=NNCC=NN=CCC;KZMSKAZHBFPVLY-UHFFFAOYSA-N;140.19;0.66;;;;;DOPC;MDCG;27;0;"MARTINI bead: N0_Nd";;;;;;;1.17;;-1.04;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM457093;MM457093;COC1CNC2(CO)CC12;RQYKVAKGMXJFCM-UHFFFAOYSA-N;143.19;-0.64;;;;;DOPC;MDCG;27;1;"MARTINI bead: SP1_SP1";;;;;;;-0.79;;-5.36;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM457094;MM457094;COC1CNC2(CF)CC12;RWVKPDGFJYOBMJ-UHFFFAOYSA-N;145.18;0.33;;;;;DOPC;MDCG;27;1;"MARTINI bead: SP1_SNda";;;;;;;0.04;;-4.01;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM457095;MM457095;C=COCC=NN=CCO;IFCHUTKJJFNINZ-UHFFFAOYSA-N;142.16;0.2;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda_Na";;;;;;;0.87;;-1.99;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM457096;MM457096;CCC1COC2(CC)CC12;FVJCQDARSNJIOE-UHFFFAOYSA-N;140.23;2.21;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC5_SC5";;;;;;;2.41;;0.64;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM457097;MM457097;Cc1cc(=O)on(N)c1=O;JVGGPDFDBGGWCA-UHFFFAOYSA-N;142.11;-1.18;;;;;DOPC;MDCG;27;0;"MARTINI bead: SN0_SP2";;;;;;;0.06;;-2.21;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM457098;MM457098;C=COCC=NN=COC;APOONOXUQISFKU-UHFFFAOYSA-N;142.16;0.81;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_C5";;;;;;;0.81;;-0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM457099;MM457099;CCC12CC1C(CN)CO2;YQTGWTBRHKLFBQ-UHFFFAOYSA-N;141.21;0.76;;;;;DOPC;MDCG;27;1;"MARTINI bead: SNa_SP1";;;;;;;0.04;;-5.26;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM457100;MM457100;C=NOCC=NN=CCC;ZRRBZSTWWZPFJQ-UHFFFAOYSA-N;141.17;1.09;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4_P1";;;;;;;1.37;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM457101;MM457101;CCC12CC1C(CO)CO2;OJSMOCMODLTDTF-UHFFFAOYSA-N;142.2;0.79;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNa_SP1";;;;;;;0.04;;-2.54;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM457102;MM457102;CCC1COC2(CN)CC12;MCKSQVGAVGVCET-UHFFFAOYSA-N;141.21;0.76;;;;;DOPC;MDCG;27;1;"MARTINI bead: SC5_SP1";;;;;;;0.81;;-2.6;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM457103;MM457103;C=NOCC=NN=COC;IBTRAEAZGTZBIS-UHFFFAOYSA-N;143.15;0.28;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_P1";;;;;;;0.81;;-0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM457104;MM457104;C=CCOC=NN=CCC;ADBVQVITQDOFLO-UHFFFAOYSA-N;140.19;1.61;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_C4";;;;;;;2.2;;0.34;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM457105;MM457105;NCC1COC2(CN)CC12;AAMRQGPXOAXYLN-UHFFFAOYSA-N;142.2;-0.69;;;;;DOPC;MDCG;27;1;"MARTINI bead: SP1_SP1";;;;;;;-0.79;;-5.95;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM457106;MM457106;C=CCOC=NN=CCO;NODVQUQELOQTQI-UHFFFAOYSA-N;142.16;0.2;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_C4";;;;;;;1.09;;-0.38;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM457107;MM457107;NCC12CC1C(CO)CO2;RXOZNFZTOJGKNM-UHFFFAOYSA-N;143.19;-0.66;;;;;DOPC;MDCG;27;1;"MARTINI bead: SP2_SP1";;;;;;;-1.06;;-5.93;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM457108;MM457108;O=CCOC=NN=CCF;FKLBXIOJDLNWMI-UHFFFAOYSA-N;146.12;0.19;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_Na";;;;;;;0.87;;-2.22;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM457109;MM457109;CCC1COC2(CO)CC12;PJAKSNZZNCWODZ-UHFFFAOYSA-N;142.2;0.79;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC5_SP1";;;;;;;0.81;;-0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM457110;MM457110;C=CCOC=NN=COC;AZKMKCGBTRTPEA-UHFFFAOYSA-N;142.16;0.81;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_Na";;;;;;;0.87;;-2.22;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM457111;MM457111;NCC1COC2(CO)CC12;AQQJHWUWNRLURW-UHFFFAOYSA-N;143.19;-0.66;;;;;DOPC;MDCG;27;1;"MARTINI bead: SP1_SP1";;;;;;;-0.79;;-5.86;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM457112;MM457112;N=CNOC=NN=CCN;AFXWNGXSVIVIRE-UHFFFAOYSA-N;143.15;-0.91;;;;;DOPC;MDCG;27;1;"MARTINI bead: P2_P1";;;;;;;-1.06;;-5.02;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM457113;MM457113;OCC1COC2(CO)CC12;TZEQXPLXNXURMC-UHFFFAOYSA-N;144.17;-0.62;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP1_SP1";;;;;;;-0.79;;-3.13;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM457114;MM457114;CCC=NN=CONC=O;XKNMYPZSUCEVMM-UHFFFAOYSA-N;143.15;0.09;;;;;DOPC;MDCG;27;0;"MARTINI bead: C3_P3";;;;;;;0.6;;-0.8;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM457115;MM457115;CCC1COC2(CF)CC12;RDDMFOGOSDGPHW-UHFFFAOYSA-N;144.19;1.77;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC5_SNa";;;;;;;1.64;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM457116;MM457116;Cc1nc(=O)n(N)cc1N;JYIIOOZBRKPPBI-UHFFFAOYSA-N;140.15;-1.15;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNda_SP2";;;;;;;-0.24;;-3.31;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM457117;MM457117;NCC1COC2(CF)CC12;YIBMILRJMKXXBZ-UHFFFAOYSA-N;145.18;0.32;;;;;DOPC;MDCG;27;1;"MARTINI bead: SP1_SNa";;;;;;;0.04;;-5.26;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM457118;MM457118;N=c1cc(N)c(F)nn1N;DVKMIJOXXMXPKB-UHFFFAOYSA-N;143.13;-1.2;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP2_SNda";;;;;;;-0.24;;-3.31;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM457119;MM457119;OCC1COC2(CF)CC12;WIUKITIQCHXDDG-UHFFFAOYSA-N;146.16;0.35;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP1_SNa";;;;;;;0.04;;-2.54;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM457120;MM457120;C=CCNN=CC=COC;KDDXMKLGYLVNDZ-UHFFFAOYSA-N;140.19;0.91;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_Nd";;;;;;;0.87;;-1.88;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM457121;MM457121;CCC12CC1C(NC)CO2;SCVOEPILUMVZRF-UHFFFAOYSA-N;141.21;0.77;;;;;DOPC;MDCG;27;1;"MARTINI bead: SNa_SP1";;;;;;;0.04;;-4.87;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM457122;MM457122;Cc1nc(=O)c(N)cn1C;MQLMWIARRCDDDN-UHFFFAOYSA-N;139.16;-0.33;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP1_SP1";;;;;;;-0.79;;-3.13;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM457123;MM457123;CNC1COC2(CN)CC12;PTYXDYVFHABEBP-UHFFFAOYSA-N;142.2;-0.68;;;;;DOPC;MDCG;27;1;"MARTINI bead: SP1_SP1";;;;;;;-0.79;;-5.67;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM457124;MM457124;C=CCON=CC=CCC;SEOBIZVFXYHQAQ-UHFFFAOYSA-N;139.2;2.14;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4_Na";;;;;;;2.2;;0.34;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM457125;MM457125;CNC1COC2(CO)CC12;ILNQSHQTVXXTFH-UHFFFAOYSA-N;143.19;-0.64;;;;;DOPC;MDCG;27;1;"MARTINI bead: SP1_SP1";;;;;;;-0.79;;-5.17;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM457126;MM457126;CNN(C)C(=O)C(=N)NN;YFTVVDGDAPWARI-UHFFFAOYSA-N;145.17;-1.98;;;;;DOPC;MDCG;27;0;"MARTINI bead: P3_P4";;;;;;;-3.15;;-6.87;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM457127;MM457127;CCC12CC1C(OC)CO2;GGXYQCNEWVIHBX-UHFFFAOYSA-N;142.2;1.2;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNa_SNa";;;;;;;0.87;;-2.22;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM457128;MM457128;CC(=CF)CNN=CCF;CIKQZPCVQGMFLZ-UHFFFAOYSA-N;148.16;1.4;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4_P1";;;;;;;1.37;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM457129;MM457129;COC1COC2(CN)CC12;DQYVTORSGSTCOM-UHFFFAOYSA-N;143.19;-0.25;;;;;DOPC;MDCG;27;1;"MARTINI bead: SNa_SP1";;;;;;;0.04;;-4.65;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM457130;MM457130;CCC=CC=NOCC#N;UEXROVFVBQWPJU-UHFFFAOYSA-N;138.17;1.48;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1_P2";;;;;;;1.8;;0.4;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM457131;MM457131;COC1COC2(CO)CC12;CNZGRWFNIJVTSF-UHFFFAOYSA-N;144.17;-0.22;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNa_SP1";;;;;;;0.04;;-2.54;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM457132;MM457132;C=NNCC1NC1(C)C#N;SWSFBKMAKGZGSS-UHFFFAOYSA-N;138.17;-0.55;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP1_P2";;;;;;;-1.06;;-3.82;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM457133;MM457133;COC1COC2(CF)CC12;WDDJWQKGFKKWBE-UHFFFAOYSA-N;146.16;0.76;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNa_SNa";;;;;;;0.87;;-2.22;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM457134;MM457134;N#CCON=CC=CCF;DUYPVUNFZREBNK-UHFFFAOYSA-N;142.13;1.04;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4_P2";;;;;;;1.09;;-0.38;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM457135;MM457135;CCC1COC2(OC)CC12;AGVCLEXGGULRSA-UHFFFAOYSA-N;142.2;1.41;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC5_SNa";;;;;;;1.64;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM457136;MM457136;C=CCON=CC=COC;AVNXNCDBTCQUCZ-UHFFFAOYSA-N;141.17;1.33;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_C5";;;;;;;1.64;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM457137;MM457137;COC12CC1C(CN)CO2;SRFDXLAJWBTNQV-UHFFFAOYSA-N;143.19;-0.05;;;;;DOPC;MDCG;27;1;"MARTINI bead: SP1_SP1";;;;;;;-0.79;;-5.86;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM457138;MM457138;COC=CC=NOCC#N;LTNYULPSHNREKH-UHFFFAOYSA-N;140.14;0.67;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_Na";;;;;;;0.87;;-2.22;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM457139;MM457139;COC12CC1C(CO)CO2;HJMVAVLGHZNKGJ-UHFFFAOYSA-N;144.17;-0.01;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP1_SP1";;;;;;;-0.79;;-3.13;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM457140;MM457140;Cc1c(N)c(=O)ncn1C;NVHHHPOFUHKMTK-UHFFFAOYSA-N;139.16;-0.33;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNd_SP2";;;;;;;-0.24;;-3.16;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM457141;MM457141;COC12CC1C(CF)CO2;INRIZIRYUNBBBD-UHFFFAOYSA-N;146.16;0.96;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP1_SNa";;;;;;;0.04;;-2.54;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM457142;MM457142;CCC(CC)NN=CCF;QBQDUPNJWHRLGX-UHFFFAOYSA-N;146.21;1.72;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1_P1";;;;;;;2.08;;0.48;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM457143;MM457143;CNC1COC2(OC)CC12;YSMGNLJZLLYCNN-UHFFFAOYSA-N;143.19;-0.03;;;;;DOPC;MDCG;27;1;"MARTINI bead: SP1_SNa";;;;;;;0.04;;-4.64;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM457144;MM457144;C=CCON=CC=NOC;RJVFZMUINXWXRT-UHFFFAOYSA-N;142.16;0.81;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_C5";;;;;;;0.81;;-0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM457145;MM457145;CCN1CCC2(CC)CC12;ALDHIUDPNQYSCQ-UHFFFAOYSA-N;139.24;1.88;;;;;DOPC;MDCG;27;1;"MARTINI bead: SNd_SN0";;;;;;;1.17;;-3.4;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM457146;MM457146;C=CCCC=CC=CC=O;KWJBLRCGGRUGNP-UHFFFAOYSA-N;136.19;2.26;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1_Na";;;;;;;2.91;;0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM457147;MM457147;CCN1CCC2(CN)CC12;VLKWCWQRQXBKOE-UHFFFAOYSA-N;140.23;0.43;;;;;DOPC;MDCG;27;1;"MARTINI bead: SNd_SP2";;;;;;;-0.24;;-5.51;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM457148;MM457148;N#CC=CC=CCCC#N;GSBBAIYBTIJPEG-UHFFFAOYSA-N;132.17;1.93;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_C5";;;;;;;0.81;;-0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM457149;MM457149;CCN1CCC2(CO)CC12;VGJZUEQPWAAUNV-UHFFFAOYSA-N;141.21;0.46;;;;;DOPC;MDCG;27;1;"MARTINI bead: SNd_SP2";;;;;;;-0.24;;-4.86;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM457150;MM457150;C=NN=CC=CCCC#N;LIUXOKVVWIQIDO-UHFFFAOYSA-N;135.17;1.53;;;;;DOPC;MDCG;27;0;"MARTINI bead: N0_N0";;;;;;;1.47;;-0.05;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM457151;MM457151;CCN1CCC2(CF)CC12;IPTWTCDKJAERFT-UHFFFAOYSA-N;143.21;1.44;;;;;DOPC;MDCG;27;1;"MARTINI bead: SNd_SNa";;;;;;;0.87;;-3.62;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM457152;MM457152;CC=CN1C=NC(=O)CC1;FZIRBGGXFGXQFN-UHFFFAOYSA-N;138.17;0.78;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNd_SP2";;;;;;;-0.24;;-3.16;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM457153;MM457153;CCC12CCC(CN)C1N2;BXXYPFFFTGEUNL-UHFFFAOYSA-N;140.23;0.48;;;;;DOPC;MDCG;27;1;"MARTINI bead: SNd_SC5";;;;;;;1.64;;-2.36;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM457154;MM457154;N#CC=CC=CCNC=O;PZKUKGAAQFRCEO-UHFFFAOYSA-N;136.15;0.37;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_N0";;;;;;;0.34;;-1.53;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM457155;MM457155;CCC1CCC2(CN)NC12;FMTVDQOIGHCTLA-UHFFFAOYSA-N;140.23;0.48;;;;;DOPC;MDCG;27;1;"MARTINI bead: SC1_SP2";;;;;;;1.8;;-0.88;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM457156;MM457156;C=NN=CC=CCNC=N;ZZVYGRMOAPORBK-UHFFFAOYSA-N;138.17;0.43;;;;;DOPC;MDCG;27;1;"MARTINI bead: N0_P1";;;;;;;0.34;;-5.59;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM457157;MM457157;NCC1CCC2(CN)NC12;ACIDKFPVEBYFHL-UHFFFAOYSA-N;141.22;-0.98;;;;;DOPC;MDCG;27;1;"MARTINI bead: SC5_SP2";;;;;;;0.54;;-3.66;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM457158;MM457158;CC1CC1CNN=CCF;QWOGUURFTWZGHF-UHFFFAOYSA-N;144.19;1.19;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC5_P1";;;;;;;0.81;;-0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM457159;MM457159;NCC1CCC2(CO)NC12;UGTOCLZAFBQHIO-UHFFFAOYSA-N;142.2;-0.94;;;;;DOPC;MDCG;27;1;"MARTINI bead: SC5_SP1";;;;;;;0.81;;-2.95;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM457160;MM457160;C=CC=CC=CCON=C;UWTYGWKRNHHRRO-UHFFFAOYSA-N;137.18;1.92;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1_Na";;;;;;;2.91;;0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM457161;MM457161;CCC1CCC2(CF)NC12;ZPKUGVXDJFOLER-UHFFFAOYSA-N;143.21;1.49;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC1_SNda";;;;;;;2.91;;0.59;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM457162;MM457162;C=NOCC=CC=CC#N;SMXKKXVQNDDUFC-UHFFFAOYSA-N;136.15;1.25;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_C5";;;;;;;0.81;;-0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM457163;MM457163;NCC1CCC2(CF)NC12;FVQRHGHLDJWRPI-UHFFFAOYSA-N;144.19;0.04;;;;;DOPC;MDCG;27;1;"MARTINI bead: SC5_SNda";;;;;;;1.64;;-2.34;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM457164;MM457164;C=CC=CC=COCC=C;GYVWVKWOZXHCFT-UHFFFAOYSA-N;136.19;2.44;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4_C4";;;;;;;3.53;;0.53;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM457165;MM457165;C=CC1(C)CN=C(C=O)N1;ZATKHYCJWCCPEK-UHFFFAOYSA-N;138.17;0.13;;;;;DOPC;MDCG;27;0;"MARTINI bead: SN0_SP2";;;;;;;0.06;;-2.21;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM457166;MM457166;CCC12CCC(NC)C1N2;XCNAMQHENNSNKF-UHFFFAOYSA-N;140.23;0.49;;;;;DOPC;MDCG;27;1;"MARTINI bead: SNd_SNd";;;;;;;0.87;;-4.34;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM457167;MM457167;N#CCOC=CC=CC=O;LSSPPZHZCBMPJK-UHFFFAOYSA-N;137.14;0.8;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_Na";;;;;;;0.87;;-2.22;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM457168;MM457168;CNC1CCC2(CF)NC12;DSYJHYOPYTUPBC-UHFFFAOYSA-N;144.19;0.05;;;;;DOPC;MDCG;27;1;"MARTINI bead: SNd_SNda";;;;;;;0.87;;-4.14;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM457169;MM457169;CC#CCCNN=CCF;SDMHPWLPWRJCMH-UHFFFAOYSA-N;142.18;0.94;;;;;DOPC;MDCG;27;0;"MARTINI bead: C3_P1";;;;;;;1.74;;0.29;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM457170;MM457170;COC1CCC2(CN)NC12;RTDYLXOSLFIHCM-UHFFFAOYSA-N;142.2;-0.54;;;;;DOPC;MDCG;27;1;"MARTINI bead: SC5_SP2";;;;;;;0.54;;-3.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM457171;MM457171;C=NN=CC=COCC#N;KOLFJMSOFMAAEO-UHFFFAOYSA-N;137.14;0.73;;;;;DOPC;MDCG;27;0;"MARTINI bead: N0_Na";;;;;;;1.17;;-1.18;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM457172;MM457172;C#CC1(C)COC(NN)=N1;OVQDHIWIKRENIZ-UHFFFAOYSA-N;139.16;-0.77;;;;;DOPC;MDCG;27;0;"MARTINI bead: SN0_SP2";;;;;;;0.06;;-2.21;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM457173;MM457173;CC=CC#CC(F)C1CN1;GGQWIJGNKRKNTE-UHFFFAOYSA-N;139.17;0.88;;;;;DOPC;MDCG;27;0;"MARTINI bead: C2_SP2";;;;;;;1.72;;0.28;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM457174;MM457174;COC1CCC2(CF)NC12;FOMLAYJZBXSJHH-UHFFFAOYSA-N;145.18;0.48;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC5_SNda";;;;;;;1.64;;0.05;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM457175;MM457175;O=CC=NN=CCCC=O;VOZLCBZGJJWZJH-UHFFFAOYSA-N;140.14;0.22;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_Na";;;;;;;0.87;;-2.22;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM457176;MM457176;CCC1NCC2(CC)NC12;AZIJGZZHCLMQRJ-UHFFFAOYSA-N;140.23;0.49;;;;;DOPC;MDCG;27;1;"MARTINI bead: SNd_SP1";;;;;;;0.04;;-5.08;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM457177;MM457177;N#CC=NN=CCCC=O;IJQMRVKSQXGFFB-UHFFFAOYSA-N;137.14;0.55;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_C4";;;;;;;2.2;;0.34;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM457178;MM457178;CCC1NCC2(CN)NC12;QRYSVANKQURPMU-UHFFFAOYSA-N;141.22;-0.96;;;;;DOPC;MDCG;27;1;"MARTINI bead: SNd_SP3";;;;;;;-1.1;;-6.13;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM457179;MM457179;N#CC=NN=CCCC#N;LKGDMOBZZVJWFR-UHFFFAOYSA-N;134.14;0.87;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_C4";;;;;;;1.37;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM457180;MM457180;NCC1NCC2(CN)NC12;LPEATZBSPZZXAN-UHFFFAOYSA-N;142.21;-2.41;;;;;DOPC;MDCG;27;1;"MARTINI bead: SP1_SP3";;;;;;;-1.93;;-6.7;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM457181;MM457181;N#CC=NN=CCNC=N;CAQVOFUQGHNYOZ-UHFFFAOYSA-N;137.15;-0.24;;;;;DOPC;MDCG;27;1;"MARTINI bead: P3_C4";;;;;;;0.23;;-4.32;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM457182;MM457182;NCC12CNC(CO)C1N2;WYXSXADIBUEHIY-UHFFFAOYSA-N;143.19;-2.38;;;;;DOPC;MDCG;27;1;"MARTINI bead: SP3_SP1";;;;;;;-1.93;;-6.53;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM457183;MM457183;N#CC=NN=CCNC=O;UIVALTCVTXDHRM-UHFFFAOYSA-N;138.13;-0.69;;;;;DOPC;MDCG;27;0;"MARTINI bead: P3_C4";;;;;;;0.23;;-1.03;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM457184;MM457184;NCC1NCC2(CO)NC12;UTMQNKZOARQSIG-UHFFFAOYSA-N;143.19;-2.38;;;;;DOPC;MDCG;27;1;"MARTINI bead: SP1_SP3";;;;;;;-1.93;;-6.43;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM457185;MM457185;C=CC=NN=CCNN=C;LEBFJWNZVIIMQP-UHFFFAOYSA-N;138.17;0.43;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_P2";;;;;;;0.54;;-1.09;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM457186;MM457186;OCC1NCC2(CO)NC12;YPCCODQFYDIDGE-UHFFFAOYSA-N;144.17;-2.35;;;;;DOPC;MDCG;27;1;"MARTINI bead: SP1_SP3";;;;;;;-1.93;;-5.91;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM457187;MM457187;C=COCC=NN=CC=O;YTWCCBYTBXGGBY-UHFFFAOYSA-N;140.14;0.4;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_Na";;;;;;;0.87;;-2.22;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM457188;MM457188;NCC1NCC2(CF)NC12;SSRVYBMVKGAZNE-UHFFFAOYSA-N;145.18;-1.4;;;;;DOPC;MDCG;27;1;"MARTINI bead: SP1_SP2";;;;;;;-1.06;;-5.57;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM457189;MM457189;C=COCC=NN=CC#N;PMUQVJMQUULKJL-UHFFFAOYSA-N;137.14;0.73;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_N0";;;;;;;1.17;;-1.18;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM457190;MM457190;O=CC=NN=CCOC=O;COXSLSIGRKXSAO-UHFFFAOYSA-N;142.11;-0.59;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_C5";;;;;;;0.81;;-0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM457191;MM457191;OCC1NCC2(CF)NC12;HJQKBZVPFBNGOH-UHFFFAOYSA-N;146.17;-1.37;;;;;DOPC;MDCG;27;1;"MARTINI bead: SP1_SP2";;;;;;;-1.06;;-5.17;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM457192;MM457192;N#CC=NN=CCOC=O;WUBLEGXAMBYSJT-UHFFFAOYSA-N;139.11;-0.26;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_C4";;;;;;;1.37;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM457193;MM457193;CCC1OCC2(CC)NC12;IRLRXELOQOFSQG-UHFFFAOYSA-N;141.21;0.92;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC5_SNd";;;;;;;1.64;;0.03;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM457194;MM457194;C=CC=NN=CCON=C;RXAXFCZTDQGYEF-UHFFFAOYSA-N;139.16;0.86;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_P1";;;;;;;0.81;;-0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM457195;MM457195;CCC1OCC2(CN)NC12;DROSPHXVARBDMV-UHFFFAOYSA-N;142.2;-0.54;;;;;DOPC;MDCG;27;1;"MARTINI bead: SC5_SP3";;;;;;;-0.33;;-3.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM457196;MM457196;C=NOCC=NN=CC#N;CKLHXOXUPFTIKY-UHFFFAOYSA-N;138.13;0.2;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_C4";;;;;;;1.37;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM457197;MM457197;C#CC1(CC)CC(C)=NN1;NZPFDAUKUFZZOM-UHFFFAOYSA-N;136.2;1.14;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNd_SP1";;;;;;;0.04;;-2.63;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM457198;MM457198;C=CCOC=NN=CC=O;UGDRERCZHGFCBJ-UHFFFAOYSA-N;140.14;0.4;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_Na";;;;;;;0.87;;-2.22;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM457199;MM457199;NCC1OCC2(CO)NC12;VLOGAUPBLBAZLB-UHFFFAOYSA-N;144.17;-1.95;;;;;DOPC;MDCG;27;1;"MARTINI bead: SP1_SP2";;;;;;;-1.06;;-5.55;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM457200;MM457200;C=CCOC=NN=CC#N;MHCZFSDSTYQTBM-UHFFFAOYSA-N;137.14;0.73;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4_Na";;;;;;;2.2;;0.34;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM457201;MM457201;CCC1OCC2(CF)NC12;APJGNLLBDSXLNL-UHFFFAOYSA-N;145.18;0.48;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC5_SP1";;;;;;;0.81;;-0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM457202;MM457202;C=CC=NN=COCC=O;SKPQTAYVQODTFC-UHFFFAOYSA-N;140.14;0.4;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_Na";;;;;;;0.87;;-2.22;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM457203;MM457203;CCC1CCC2(CC)OC12;NOGNWFVLJHAIJZ-UHFFFAOYSA-N;140.23;2.35;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC1_SC5";;;;;;;3.68;;0.46;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM457204;MM457204;O=CC=NN=COCC=O;JDWRGOOTCXFEQP-UHFFFAOYSA-N;142.11;-0.59;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_Na";;;;;;;0.87;;-2.22;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM457205;MM457205;CCC12CCC(CN)C1O2;XZZZATLGZROEBQ-UHFFFAOYSA-N;141.21;0.9;;;;;DOPC;MDCG;27;1;"MARTINI bead: SC5_SC5";;;;;;;2.41;;-0.43;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM457206;MM457206;N#CC=NN=COCC=O;VHYPRCBQSAMBPN-UHFFFAOYSA-N;139.11;-0.26;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_Na";;;;;;;0.87;;-2.22;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM457207;MM457207;CCC12CCC(CF)C1O2;WTUXFIIVXFAJJC-UHFFFAOYSA-N;144.19;1.91;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC5_SC3";;;;;;;3.34;;0.48;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM457208;MM457208;C=CCNN=CC=CC=O;YGJVQHRNALPZAX-UHFFFAOYSA-N;138.17;0.5;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nd_Na";;;;;;;0.87;;-1.88;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM457209;MM457209;CCC1CCC2(CN)OC12;MOKGHPNHCCRPCY-UHFFFAOYSA-N;141.21;0.9;;;;;DOPC;MDCG;27;1;"MARTINI bead: SC1_SP1";;;;;;;2.08;;-0.46;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM457210;MM457210;N#CC(C#CC1CO1)=CN;ZWTPLWQSNWBLMX-UHFFFAOYSA-N;134.14;-0.25;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_SNa";;;;;;;0.04;;-2.54;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM457211;MM457211;NCC1CCC2(CN)OC12;OZRIARPWTUWXKQ-UHFFFAOYSA-N;142.2;-0.55;;;;;DOPC;MDCG;27;1;"MARTINI bead: SC5_SP1";;;;;;;0.81;;-3.29;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM457212;MM457212;CON=CC(C)F;KCGQISPJUCICLX-UHFFFAOYSA-N;105.11;0.98;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_C5";;;;;;;0.81;;-0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM457213;MM457213;NCC1CCC2(CO)OC12;XCNJEGVNYJUEOH-UHFFFAOYSA-N;143.19;-0.52;;;;;DOPC;MDCG;27;1;"MARTINI bead: SC5_SP1";;;;;;;0.81;;-3.21;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM457214;MM457214;CN(C)NC(=N)C#N;NWHBTUMPAIFTER-UHFFFAOYSA-N;112.14;-0.45;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_P1";;;;;;;-1.06;;-3.82;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM457215;MM457215;OCC1CCC2(CO)OC12;OUTCPSVFJOHJMK-UHFFFAOYSA-N;144.17;-0.48;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC5_SP1";;;;;;;0.81;;-0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM457216;MM457216;C=CC=CC=NOCC=C;DCGUOTLVQCBXIB-UHFFFAOYSA-N;137.18;1.92;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_C4";;;;;;;2.97;;0.45;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM457217;MM457217;CCC1CCC2(CF)OC12;PLXOKHTYRLADCO-UHFFFAOYSA-N;144.19;1.91;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC1_SNa";;;;;;;2.91;;0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM457218;MM457218;C=CCON=CC=CC=O;LHLHOLYFQFJHRF-UHFFFAOYSA-N;139.15;0.93;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_Na";;;;;;;0.87;;-2.22;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM457219;MM457219;NCC1CCC2(CF)OC12;FLDPHRQJDDNKGU-UHFFFAOYSA-N;145.18;0.46;;;;;DOPC;MDCG;27;1;"MARTINI bead: SC5_SNa";;;;;;;1.64;;-2.66;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM457220;MM457220;N#CCON=CC=CC=O;NMALWGNADCUAFV-UHFFFAOYSA-N;138.13;0.27;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_Na";;;;;;;0.87;;-2.22;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM457221;MM457221;OCC1CCC2(CF)OC12;NIVPEOUKNFDVHJ-UHFFFAOYSA-N;146.16;0.5;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC5_SNa";;;;;;;1.64;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM457222;MM457222;C=CCON=CC=NN=C;KOBJOQMZLKCOML-UHFFFAOYSA-N;139.16;0.86;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_C5";;;;;;;1.64;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM457223;MM457223;CCC12CCC(NC)C1O2;YJKVECIVGMVCSY-UHFFFAOYSA-N;141.21;0.92;;;;;DOPC;MDCG;27;1;"MARTINI bead: SC5_SNd";;;;;;;1.64;;-2.22;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM457224;MM457224;C=NN=CC=NOCC#N;OSYGZYMDSMYABD-UHFFFAOYSA-N;138.13;0.2;;;;;DOPC;MDCG;27;0;"MARTINI bead: N0_Na";;;;;;;1.17;;-1.18;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM457225;MM457225;CNC1CCC2(CN)OC12;PWZTXHISAMHMAT-UHFFFAOYSA-N;142.2;-0.54;;;;;DOPC;MDCG;27;1;"MARTINI bead: SNd_SP1";;;;;;;0.04;;-5.13;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM457226;MM457226;C#CC=CC=CCCC#N;GRLACQMMEHLHMB-UHFFFAOYSA-N;131.18;2.04;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4_P1";;;;;;;1.37;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM457227;MM457227;CNC1CCC2(CO)OC12;BMYLLRFZGMTXFD-UHFFFAOYSA-N;143.19;-0.5;;;;;DOPC;MDCG;27;1;"MARTINI bead: SNd_SP1";;;;;;;0.04;;-4.66;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM457228;MM457228;C#CC=CC=CCNN=C;HXWNCJBBIQRTLT-UHFFFAOYSA-N;134.18;0.94;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_C4";;;;;;;1.09;;-0.38;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM457229;MM457229;CNC1CCC2(CF)OC12;JBZQRGDHDLCYER-UHFFFAOYSA-N;145.18;0.48;;;;;DOPC;MDCG;27;1;"MARTINI bead: SNd_SNa";;;;;;;0.87;;-4.21;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM457230;MM457230;C#CC=CC=CCOC=C;OCZAVSSLBMRSAI-UHFFFAOYSA-N;134.18;1.89;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_C4";;;;;;;2.2;;0.34;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM457231;MM457231;COC1CCC2(CN)OC12;CJBXPLMGUNTIRG-UHFFFAOYSA-N;143.19;-0.11;;;;;DOPC;MDCG;27;1;"MARTINI bead: SC5_SP1";;;;;;;0.81;;-2.53;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM457232;MM457232;C#CC=CC=CCON=C;IXDZQOJPDVGMEH-UHFFFAOYSA-N;135.17;1.36;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_C4";;;;;;;2.2;;0.34;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM457233;MM457233;COC1CCC2(CO)OC12;FIWUHTHJBZUZIE-UHFFFAOYSA-N;144.17;-0.07;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC5_SP1";;;;;;;0.81;;-0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM457234;MM457234;C#CC=CC=COCC=C;QBSOMWZGBCDZEC-UHFFFAOYSA-N;134.18;1.89;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_C4";;;;;;;2.2;;0.34;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM457235;MM457235;COC1CCC2(CF)OC12;JSDBVSNRVOKLKM-UHFFFAOYSA-N;146.16;0.9;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC5_SNa";;;;;;;1.64;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM457236;MM457236;C#CC=CC=COCC#N;PKQVSYZMQZDFOF-UHFFFAOYSA-N;133.15;1.23;;;;;DOPC;MDCG;27;0;"MARTINI bead: N0_Na";;;;;;;1.17;;-1.18;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM457237;MM457237;CCC12CNC(CN)C1O2;XEVRIFAJNYFPHF-UHFFFAOYSA-N;142.2;-0.54;;;;;DOPC;MDCG;27;1;"MARTINI bead: SNa_SP1";;;;;;;0.04;;-4.57;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM457238;MM457238;C#CC=NN=CCCC=C;BBVQRZQEKXOCJY-UHFFFAOYSA-N;134.18;1.64;;;;;DOPC;MDCG;27;0;"MARTINI bead: C3_C5";;;;;;;3.34;;0.48;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM457239;MM457239;CCC1NCC2(CN)OC12;WNVOHOMLEXMRPM-UHFFFAOYSA-N;142.2;-0.54;;;;;DOPC;MDCG;27;1;"MARTINI bead: SNd_SP3";;;;;;;-1.1;;-5.91;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM457240;MM457240;C#CC=NN=CCCC=O;XKHSFZVMPIGTQT-UHFFFAOYSA-N;136.15;0.66;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_C5";;;;;;;1.64;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM457241;MM457241;NCC1NCC2(CN)OC12;GKRXJELYPMKXCG-UHFFFAOYSA-N;143.19;-1.99;;;;;DOPC;MDCG;27;1;"MARTINI bead: SP1_SP3";;;;;;;-1.93;;-6.82;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM457242;MM457242;C#CC=NN=CCCC#N;KGZOKLPNPYLWAH-UHFFFAOYSA-N;133.15;0.98;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4_P1";;;;;;;1.37;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM457243;MM457243;NCC1NCC2(CO)OC12;VERHRXZOZCKIRH-UHFFFAOYSA-N;144.17;-1.95;;;;;DOPC;MDCG;27;1;"MARTINI bead: SP1_SP2";;;;;;;-1.06;;-5.77;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM457244;MM457244;C#CC=NN=CCNC=N;PKMBWUAQCICSKV-UHFFFAOYSA-N;136.16;-0.13;;;;;DOPC;MDCG;27;1;"MARTINI bead: P3_C4";;;;;;;0.23;;-4.54;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM457245;MM457245;CCC1NCC2(CF)OC12;PQCGEYOHFQXGFK-UHFFFAOYSA-N;145.18;0.48;;;;;DOPC;MDCG;27;1;"MARTINI bead: SNd_SP1";;;;;;;0.04;;-4.3;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM457246;MM457246;C#CC=NN=CCNC=O;IBBNRECOABLBQR-UHFFFAOYSA-N;137.14;-0.58;;;;;DOPC;MDCG;27;0;"MARTINI bead: P3_C4";;;;;;;0.23;;-1.03;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM457247;MM457247;NCC1NCC2(CF)OC12;KKXIKYXYDQEBAY-UHFFFAOYSA-N;146.17;-0.98;;;;;DOPC;MDCG;27;1;"MARTINI bead: SP1_SP1";;;;;;;-0.79;;-5.11;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM457248;MM457248;C#CC=NN=CCNN=C;SJWIVWNQIAJJBD-UHFFFAOYSA-N;136.16;-0.12;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_C5";;;;;;;0.54;;-1.09;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM457249;MM457249;CCC1OCC2(CN)OC12;GHFOSUYXRIWVBE-UHFFFAOYSA-N;143.19;-0.11;;;;;DOPC;MDCG;27;1;"MARTINI bead: SC5_SP2";;;;;;;0.54;;-3.05;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM457250;MM457250;C#CC=NN=CCOC=C;NIUWSRCNQVNBRN-UHFFFAOYSA-N;136.15;0.84;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_C5";;;;;;;1.64;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM457251;MM457251;OCC1OCC2(CO)OC12;NACBIFXNZHSBNV-UHFFFAOYSA-N;146.14;-1.49;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP1_SP2";;;;;;;-1.06;;-3.82;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM457252;MM457252;C#CC=NN=CCOC=O;ALHSOQDNKXWMQU-UHFFFAOYSA-N;138.13;-0.15;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_C5";;;;;;;0.81;;-0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM457253;MM457253;OCC1OCC2(CF)OC12;CVHZNFODFANCIA-UHFFFAOYSA-N;148.13;-0.52;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP1_SP1";;;;;;;-0.79;;-3.13;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM457254;MM457254;C#CC=NN=CCON=C;JSGSXJHACVITDQ-UHFFFAOYSA-N;137.14;0.31;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_C5";;;;;;;0.81;;-0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM457255;MM457255;CCC1CCC2(CC)CN12;DYFRICJDUIVBMT-UHFFFAOYSA-N;139.24;2.02;;;;;DOPC;MDCG;27;1;"MARTINI bead: SNd_SN0";;;;;;;1.17;;-2.3;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM457256;MM457256;C#CC=NN=COCC=O;QCMHCLGZOMWXOT-UHFFFAOYSA-N;138.13;-0.15;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_Na";;;;;;;0.87;;-2.22;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM457257;MM457257;CCC12CCC(CN)N1C2;KYYHNPARSDHGAH-UHFFFAOYSA-N;140.23;0.57;;;;;DOPC;MDCG;27;1;"MARTINI bead: SN0_SP1";;;;;;;0.34;;-3.53;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM457258;MM457258;CCC1CCC2(CN)CN12;UBLFKDWMKGXFEL-UHFFFAOYSA-N;140.23;0.57;;;;;DOPC;MDCG;27;1;"MARTINI bead: SNd_SP1";;;;;;;0.04;;-4.63;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM457259;MM457259;C#CC=CC=NOCC=C;HROHSWIRDFPYDP-UHFFFAOYSA-N;135.17;1.36;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_N0";;;;;;;1.94;;0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM457260;MM457260;NCC1CCC2(CN)CN12;UQEBEEBEIXWMNZ-UHFFFAOYSA-N;141.22;-0.88;;;;;DOPC;MDCG;27;1;"MARTINI bead: SP1_SP1";;;;;;;-0.79;;-5.42;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM457261;MM457261;CCON=CC(C)F;LZPVXHJRIQHTBM-UHFFFAOYSA-N;119.14;1.37;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_C5";;;;;;;1.64;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM457262;MM457262;NCC12CCC(CO)N1C2;YQCMSLXGRGNLNN-UHFFFAOYSA-N;142.2;-0.85;;;;;DOPC;MDCG;27;1;"MARTINI bead: SP1_SP1";;;;;;;-0.79;;-5.12;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM457263;MM457263;C#CC=CC=NOCC#N;NEMNJMJPCOEXQH-UHFFFAOYSA-N;134.14;0.7;;;;;DOPC;MDCG;27;0;"MARTINI bead: N0_Na";;;;;;;1.17;;-1.18;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM457264;MM457264;NCC12CCC(CF)N1C2;XTWYXWMIMVMCNC-UHFFFAOYSA-N;144.19;0.13;;;;;DOPC;MDCG;27;1;"MARTINI bead: SP1_SNda";;;;;;;0.04;;-4.71;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM457265;MM457265;C#CCCC=CC=NNC;HVTPXJWSVCCZJM-UHFFFAOYSA-N;136.2;1.16;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_C3";;;;;;;1.46;;-0.15;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM457266;MM457266;C=C(C=O)C(=O)C(N)=NC;BLUUPEOPHRMFCJ-UHFFFAOYSA-N;140.14;-0.7;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_Na";;;;;;;-0.24;;-3.24;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM457267;MM457267;C#CCOC=CC=CCC;CZCHCEDXFQCJPI-UHFFFAOYSA-N;136.19;2.12;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1_P2";;;;;;;1.8;;0.4;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM457268;MM457268;C=CC(=O)OCC=NOC;MGPHGNHLZQFHES-UHFFFAOYSA-N;143.14;0.35;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_Na";;;;;;;0.87;;-2.22;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM457269;MM457269;C#CCOC=CC=CCO;OROIIJUAKPXMQP-UHFFFAOYSA-N;138.17;0.7;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda_Na";;;;;;;0.87;;-1.99;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM457270;MM457270;NCC1CCC2(CF)CN12;ZPACLHBSLXBNMQ-UHFFFAOYSA-N;144.19;0.13;;;;;DOPC;MDCG;27;1;"MARTINI bead: SP1_SNa";;;;;;;0.04;;-4.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM457271;MM457271;C#CCOC=CC=COC;CERXXXIITPRZLB-UHFFFAOYSA-N;138.17;1.31;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_Na";;;;;;;0.87;;-2.22;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM457272;MM457272;C#CCOC=CC=NNC;IEHIYQXLPPWHGW-UHFFFAOYSA-N;138.17;0.36;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nd_Na";;;;;;;0.87;;-1.88;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM457273;MM457273;C=NNCC1OC1(C)C#N;JIACNMHCUYATMI-UHFFFAOYSA-N;139.16;-0.13;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNa_P2";;;;;;;-0.24;;-3.24;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM457274;MM457274;C#CCOC=CC=NOC;LMCTZPXESFZRSR-UHFFFAOYSA-N;139.15;0.78;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_Na";;;;;;;0.87;;-2.22;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM457275;MM457275;C=CC1CCC2(CC)CC12;SOUBOBJVAZBBTI-UHFFFAOYSA-N;136.24;3;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC2_SC2";;;;;;;4.78;;0.59;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM457276;MM457276;C#CCCC=NN=CCO;RDPAANBTIGKNFK-UHFFFAOYSA-N;138.17;0.45;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_C3";;;;;;;1.46;;-0.15;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM457277;MM457277;CCC12CCC(C=O)C1C2;OSHPHHCWABDAFM-UHFFFAOYSA-N;138.21;2.01;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC2_SNa";;;;;;;2.83;;0.35;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM457278;MM457278;C#CCCC=NN=COC;XZVUNZGLCDDOBD-UHFFFAOYSA-N;138.17;1.06;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_C5";;;;;;;1.64;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM457279;MM457279;CCC12CCC(C#N)C1C2;OFWDZBHJJNGMJC-UHFFFAOYSA-N;135.21;2.34;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC2_SC5";;;;;;;3.6;;0.34;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM457280;MM457280;C#CCOC=NN=CCF;YRKCPKUCQJWUHG-UHFFFAOYSA-N;142.13;0.62;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_C5";;;;;;;1.64;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM457281;MM457281;C=CC1CCC2(CN)CC12;OZFXFLBAFKURKF-UHFFFAOYSA-N;137.23;1.55;;;;;DOPC;MDCG;27;1;"MARTINI bead: SNd_SC2";;;;;;;2.83;;-0.46;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM457282;MM457282;C=CC(C)(C)C(C)(C)O;NBEPJECQTUZGIB-UHFFFAOYSA-N;128.22;1.97;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda_C2";;;;;;;2.83;;0.57;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM457283;MM457283;Nc1c(F)c(=O)n(N)n1N;RSAGFKWVXQXPOA-UHFFFAOYSA-N;147.11;-2.2;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNda_SP3";;;;;;;-1.1;;-3.97;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM457284;MM457284;C#CCON=CC=CCC;AHSZCFDGEKDRAQ-UHFFFAOYSA-N;137.18;1.59;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1_Na";;;;;;;2.91;;0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM457285;MM457285;C#CC=C1CC(=NN)CO1;VKEVFFPDUNTQJH-UHFFFAOYSA-N;136.15;0.24;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP1_SNa";;;;;;;0.04;;-2.54;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM457286;MM457286;C#CCON=CC=CCN;NGIMYWHGMWTADL-UHFFFAOYSA-N;138.17;0.14;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1_Na";;;;;;;0.04;;-4.77;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM457287;MM457287;CC1CC1ON=CCC#N;WTVWTYWLZYHCFR-UHFFFAOYSA-N;138.17;1.31;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNa_P1";;;;;;;0.04;;-2.54;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM457288;MM457288;C#CCON=CC=CCF;DPLAIINCTRXYLJ-UHFFFAOYSA-N;141.15;1.15;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_Na";;;;;;;0.87;;-2.22;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM457289;MM457289;C=CC1CCC2(CF)CC12;MJJUCYJWAGJXJO-UHFFFAOYSA-N;140.2;2.56;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC5_SC2";;;;;;;3.6;;0.34;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM457290;MM457290;C#CCONC=CC=NC;AISYBHKDOYCHJZ-UHFFFAOYSA-N;138.17;0.36;;;;;DOPC;MDCG;27;1;"MARTINI bead: N0_P1";;;;;;;0.34;;-5.05;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM457291;MM457291;O=CC1CCC2(CF)CC12;VGSVIAVSOMCYMF-UHFFFAOYSA-N;142.17;1.57;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC5_SNa";;;;;;;1.64;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM457292;MM457292;C#CCON=CC=NOC;MWQWYTJFNBTBAT-UHFFFAOYSA-N;140.14;0.25;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_Na";;;;;;;0.87;;-2.22;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM457293;MM457293;N#CC1CCC2(CF)CC12;ZYSZTHJPXJTAFL-UHFFFAOYSA-N;139.17;1.9;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC5_SC5";;;;;;;2.41;;0.64;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM457294;MM457294;C=CC1CCC2(NC)CC12;BFZYPTPBIQTXDI-UHFFFAOYSA-N;137.23;1.56;;;;;DOPC;MDCG;27;1;"MARTINI bead: SNd_SC2";;;;;;;2.83;;-0.88;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM457295;MM457295;C#CCCC=CC=CC=C;DJSVAZTYHUEZEA-UHFFFAOYSA-N;132.21;2.7;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1_C3";;;;;;;4.61;;0.31;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM457296;MM457296;C#CCCC=CC=CC#N;KTDRVZZNLRFUGE-UHFFFAOYSA-N;131.18;2.04;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_C5";;;;;;;2.41;;0.64;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM457297;MM457297;CNC12CCC(C=O)C1C2;XEKJIXBHMMOQQD-UHFFFAOYSA-N;139.2;0.57;;;;;DOPC;MDCG;27;1;"MARTINI bead: SNd_SNa";;;;;;;0.87;;-4.53;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM457298;MM457298;C#CCOC=CC=CC=C;HYBWNAXIRJCOIB-UHFFFAOYSA-N;134.18;1.89;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4_Na";;;;;;;2.2;;0.34;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM457299;MM457299;CNC12CCC(C#N)C1C2;IYAHKJOYQYYSOJ-UHFFFAOYSA-N;136.2;0.9;;;;;DOPC;MDCG;27;1;"MARTINI bead: SNd_SC5";;;;;;;1.64;;-1.84;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM457300;MM457300;C#CCOC=CC=CC=O;UUABFWLDHURXBQ-UHFFFAOYSA-N;136.15;0.91;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_C5";;;;;;;1.64;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM457301;MM457301;C=CC1CCC2(OC)CC12;NTYMFSIAAAOSHG-UHFFFAOYSA-N;138.21;1.99;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC5_SC2";;;;;;;3.6;;0.34;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM457302;MM457302;C#CCOC=CC=NN=C;HINCRTUXIRDXJK-UHFFFAOYSA-N;136.15;0.84;;;;;DOPC;MDCG;27;0;"MARTINI bead: N0_Na";;;;;;;1.17;;-1.18;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM457303;MM457303;COC12CCC(C=O)C1C2;IAYQPQNZODTQCA-UHFFFAOYSA-N;140.18;1;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC5_SNa";;;;;;;1.64;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM457304;MM457304;C#CCCC=NN=CC=C;STVKDEXNLRMHHZ-UHFFFAOYSA-N;134.18;1.64;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_C5";;;;;;;2.41;;0.64;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM457305;MM457305;COC12CCC(C#N)C1C2;DKTMUTYRYLWNGK-UHFFFAOYSA-N;137.18;1.33;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC5_SC5";;;;;;;2.41;;0.64;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM457306;MM457306;C#CCCC=NN=CC#N;ZKLDHEVXRIPPED-UHFFFAOYSA-N;133.15;0.98;;;;;DOPC;MDCG;27;0;"MARTINI bead: N0_C4";;;;;;;2.5;;0.44;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM457307;MM457307;C=CC1NCC2(CC)CC12;CISDXSAZYDMBLA-UHFFFAOYSA-N;137.23;1.56;;;;;DOPC;MDCG;27;1;"MARTINI bead: SN0_SNd";;;;;;;1.17;;-4.07;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM457308;MM457308;C#CCOC=NN=CC=C;BOTVJOCXMGQZTE-UHFFFAOYSA-N;136.15;0.84;;;;;DOPC;MDCG;27;0;"MARTINI bead: N0_Na";;;;;;;1.17;;-1.18;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM457309;MM457309;CCC12CNC(C=O)C1C2;HLYQEHPOIMSUHU-UHFFFAOYSA-N;139.2;0.57;;;;;DOPC;MDCG;27;1;"MARTINI bead: SN0_SP1";;;;;;;0.34;;-3.31;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM457310;MM457310;C#CCOC=NN=CC=O;DZNDMOZQMJNLBN-UHFFFAOYSA-N;138.13;-0.15;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_Na";;;;;;;0.87;;-2.22;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM457311;MM457311;C=CC1NCC2(CN)CC12;LPMLWMFVBBLACW-UHFFFAOYSA-N;138.21;0.11;;;;;DOPC;MDCG;27;1;"MARTINI bead: SP2_SNd";;;;;;;-0.24;;-5.91;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM457312;MM457312;C#CCOC=NN=CC#N;UUTDMUUFDUVPRX-UHFFFAOYSA-N;135.13;0.17;;;;;DOPC;MDCG;27;0;"MARTINI bead: N0_Na";;;;;;;1.17;;-1.18;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM457313;MM457313;C=CC1NCC2(CO)CC12;PCXJSLLWKUHURU-UHFFFAOYSA-N;139.2;0.14;;;;;DOPC;MDCG;27;1;"MARTINI bead: SP2_SNd";;;;;;;-0.24;;-5.65;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM457314;MM457314;C#CCNN=CC=CC=C;ONQYXPUEQQRRPR-UHFFFAOYSA-N;134.18;0.94;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4_P1";;;;;;;1.37;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM457315;MM457315;O=CC1NCC2(CO)CC12;RAUNSTBPLMDDRT-UHFFFAOYSA-N;141.17;-0.84;;;;;DOPC;MDCG;27;1;"MARTINI bead: SP2_SP1";;;;;;;-1.06;;-5.09;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM457316;MM457316;C=CCC(C)(O)C(C)C;YGYJSFXFOXFEOD-UHFFFAOYSA-N;128.22;1.97;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda_C4";;;;;;;2.2;;0.49;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM457317;MM457317;CCC=NNCC#CC=O;DHXZSHFBQRPPBX-UHFFFAOYSA-N;138.17;0.17;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nd_C5";;;;;;;1.64;;0.02;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM457318;MM457318;C#CCON=CC=CC=C;MKXNWAIXWZCVRW-UHFFFAOYSA-N;135.17;1.36;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4_Na";;;;;;;2.2;;0.34;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM457319;MM457319;C=CC1NCC2(CF)CC12;PUONPQICXVFQGU-UHFFFAOYSA-N;141.19;1.12;;;;;DOPC;MDCG;27;1;"MARTINI bead: SNa_SNd";;;;;;;0.87;;-4.53;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM457320;MM457320;C#CCON=CC=CC#N;SRUNRNXIJXXJPS-UHFFFAOYSA-N;134.14;0.7;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_N0";;;;;;;1.17;;-1.18;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM457321;MM457321;O=CC1NCC2(CF)CC12;IJBWQSDLFVTDIL-UHFFFAOYSA-N;143.16;0.13;;;;;DOPC;MDCG;27;1;"MARTINI bead: SNa_SP1";;;;;;;0.04;;-3.94;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM457322;MM457322;C#CC=CC=CCCC#C;FIEZKZVCHLIQCC-UHFFFAOYSA-N;130.19;2.15;;;;;DOPC;MDCG;27;0;"MARTINI bead: C3_C4";;;;;;;3.9;;0.47;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM457323;MM457323;N#CC1NCC2(CF)CC12;POIXZRWKYRPGOZ-UHFFFAOYSA-N;140.16;0.46;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNa_SP1";;;;;;;0.04;;-2.54;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM457324;MM457324;C#CC=CC=COCC#C;NDOAFJUAIUXBDI-UHFFFAOYSA-N;132.16;1.34;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_N0";;;;;;;1.17;;-1.18;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM457325;MM457325;C=CC1NCC2(NC)CC12;BTGOYFXLHRLSHS-UHFFFAOYSA-N;138.21;0.12;;;;;DOPC;MDCG;27;1;"MARTINI bead: SP2_SNd";;;;;;;-0.24;;-5.54;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM457326;MM457326;C#CC=NN=CCCC#C;MZGVKIKXPJDWFA-UHFFFAOYSA-N;132.17;1.09;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_C5";;;;;;;2.41;;0.64;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM457327;MM457327;CNC12CNC(C=O)C1C2;NBWZBPKPHJOROX-UHFFFAOYSA-N;140.19;-0.86;;;;;DOPC;MDCG;27;1;"MARTINI bead: SP2_SP1";;;;;;;-1.06;;-5.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM457328;MM457328;C#CC=NN=COCC#C;FCJZHJQUFQCVLU-UHFFFAOYSA-N;134.14;0.28;;;;;DOPC;MDCG;27;0;"MARTINI bead: N0_Na";;;;;;;1.17;;-1.18;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM457329;MM457329;C=CC1NCC2(OC)CC12;HNRKSMYFOGLXBN-UHFFFAOYSA-N;139.2;0.55;;;;;DOPC;MDCG;27;1;"MARTINI bead: SP1_SNd";;;;;;;0.04;;-4.96;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM457330;MM457330;C#CC=CC=NOCC#C;WDAFUMHRGAKFJZ-UHFFFAOYSA-N;133.15;0.81;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_C4";;;;;;;2.2;;0.34;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM457331;MM457331;COC12CNC(C=O)C1C2;IHRAMVQQTUMAPM-UHFFFAOYSA-N;141.17;-0.44;;;;;DOPC;MDCG;27;1;"MARTINI bead: SP1_SP1";;;;;;;-0.79;;-4.23;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM457332;MM457332;CC=CCC=CC=CCC;LSNKVDZODXQMJT-UHFFFAOYSA-N;136.24;3.48;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1_C1";;;;;;;4.95;;0.69;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM457333;MM457333;COC12CNC(C#N)C1C2;RWKKDJBKAPVFNT-UHFFFAOYSA-N;138.17;-0.11;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP1_SP1";;;;;;;-0.79;;-3.13;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM457334;MM457334;CC=CCC=CC=CCN;VLPNKBOAIXNPAO-UHFFFAOYSA-N;137.23;2.02;;;;;DOPC;MDCG;27;1;"MARTINI bead: C2_Nd";;;;;;;2.83;;-0.23;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM457335;MM457335;C=CC1OCC2(CC)CC12;QZTFJSWMLXWJIJ-UHFFFAOYSA-N;138.21;1.99;;;;;DOPC;MDCG;27;0;"MARTINI bead: SN0_SNa";;;;;;;1.17;;-1.18;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM457336;MM457336;NCC=CC=CCC=CF;QHWORANSFSXQDI-UHFFFAOYSA-N;141.19;1.93;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_C4";;;;;;;2.2;;-1.66;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM457337;MM457337;CCC12COC(C=O)C1C2;WSHLHJOQZKAPSB-UHFFFAOYSA-N;140.18;1;;;;;DOPC;MDCG;27;0;"MARTINI bead: SN0_SP1";;;;;;;0.34;;-1.53;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM457338;MM457338;FC=CCC=CC=CCF;FMILSFINLLSIEY-UHFFFAOYSA-N;144.16;2.94;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4_C3";;;;;;;3.9;;0.47;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM457339;MM457339;CCC12COC(C#N)C1C2;PXIVLARXBCPTRJ-UHFFFAOYSA-N;137.18;1.33;;;;;DOPC;MDCG;27;0;"MARTINI bead: SN0_SNa";;;;;;;1.17;;-1.18;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM457340;MM457340;CCC=CC=CCC=NN;ZVXPQOAMVXPLLY-UHFFFAOYSA-N;138.21;1.84;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1_Nd";;;;;;;2.91;;0.63;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM457341;MM457341;C=CC1OCC2(CN)CC12;LZLLOQIEBJTZQT-UHFFFAOYSA-N;139.2;0.54;;;;;DOPC;MDCG;27;1;"MARTINI bead: SP1_SNa";;;;;;;0.04;;-4.95;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM457342;MM457342;CC(F)C=NOC(C)C;RWYDJRKTTUGSPY-UHFFFAOYSA-N;133.17;1.76;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_C5";;;;;;;1.64;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM457343;MM457343;C=CC1OCC2(CO)CC12;DOEDHGJECYHXCD-UHFFFAOYSA-N;140.18;0.57;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP1_SNa";;;;;;;0.04;;-2.54;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM457344;MM457344;CNC=NC=CC=COC;KPZVCMGESWVWDR-UHFFFAOYSA-N;140.19;0.91;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_Na";;;;;;;0.87;;-5.38;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM457345;MM457345;O=CC1OCC2(CO)CC12;AXGBBBNYGGWQDR-UHFFFAOYSA-N;142.15;-0.42;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP1_SP1";;;;;;;-0.79;;-3.13;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM457346;MM457346;CC=COC=CC=CCC;JVBXJHGAZXTLEI-UHFFFAOYSA-N;138.21;3.02;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1_Na";;;;;;;2.91;;0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM457347;MM457347;N#CC1OCC2(CO)CC12;CGYGSWRDPOTVBK-UHFFFAOYSA-N;139.15;-0.09;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP1_SNa";;;;;;;0.04;;-2.54;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM457348;MM457348;CC=COC=CC=CCO;VYAVHZVWKQZVJI-UHFFFAOYSA-N;140.18;1.6;;;;;DOPC;MDCG;27;0;"MARTINI bead: C3_Nda";;;;;;;2.57;;0.44;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM457349;MM457349;C=CC1OCC2(CF)CC12;FEFWEBHMZLDPGT-UHFFFAOYSA-N;142.17;1.55;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNa_SNa";;;;;;;0.87;;-2.22;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM457350;MM457350;CC=COC=CC=CCF;SUUYYOHRBTWJMN-UHFFFAOYSA-N;142.17;2.58;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_C4";;;;;;;2.97;;0.45;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM457351;MM457351;O=CC1OCC2(CF)CC12;ROFNLEZMTQRZRE-UHFFFAOYSA-N;144.15;0.56;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNa_SP1";;;;;;;0.04;;-2.54;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM457352;MM457352;C=CC(C)C(C)(O)CC;VQOIEBBAEXCVRV-UHFFFAOYSA-N;128.22;1.97;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda_C3";;;;;;;2.57;;0.44;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM457353;MM457353;N#CC1OCC2(CF)CC12;LBBPEVWAJSPKQL-UHFFFAOYSA-N;141.15;0.88;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNa_SNa";;;;;;;0.87;;-2.22;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM457354;MM457354;C=CCC(O)(CC)CC;ZNPHYMBSDNDCCM-UHFFFAOYSA-N;128.22;2.11;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_C4";;;;;;;2.97;;0.45;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM457355;MM457355;C=CC1OCC2(NC)CC12;SBEHMRHZWAOIAS-UHFFFAOYSA-N;139.2;0.55;;;;;DOPC;MDCG;27;1;"MARTINI bead: SP1_SNa";;;;;;;0.04;;-4.54;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM457356;MM457356;CC(F)=CNC(=N)C#N;QLURXXVEGAQKKV-UHFFFAOYSA-N;127.12;0.91;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_P2";;;;;;;0.54;;-1.09;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM457357;MM457357;CNC12COC(C=O)C1C2;BRPLKNOYEPRWTO-UHFFFAOYSA-N;141.17;-0.44;;;;;DOPC;MDCG;27;1;"MARTINI bead: SP1_SP1";;;;;;;-0.79;;-4.84;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM457358;MM457358;COC=CC=COC=NO;KQPVSCVGDLBQNJ-UHFFFAOYSA-N;143.14;1.09;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_Nda";;;;;;;0.87;;-1.99;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM457359;MM457359;C=CC1OCC2(OC)CC12;YSOVFDKMVSBWOT-UHFFFAOYSA-N;140.18;0.98;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNa_SNa";;;;;;;0.87;;-2.22;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM457360;MM457360;CC=COC=CC=NNC;INRPYOLKJIIWET-UHFFFAOYSA-N;140.19;1.26;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nd_Na";;;;;;;0.87;;-1.88;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM457361;MM457361;COC12COC(C#N)C1C2;KTDBBTDNCNNYQK-UHFFFAOYSA-N;139.15;0.31;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNa_SNa";;;;;;;0.87;;-2.22;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM457362;MM457362;CC=COC=CC=NOC;VVLUICDSYDXFLM-UHFFFAOYSA-N;141.17;1.68;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_C3";;;;;;;1.74;;0.29;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM457363;MM457363;C=CC1CNC2(CC)CC12;CAVGXRYBQQJRLA-UHFFFAOYSA-N;137.23;1.56;;;;;DOPC;MDCG;27;1;"MARTINI bead: SNd_SN0";;;;;;;1.17;;-4.81;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM457364;MM457364;CC=CCC=NN=CCC;YENIQAMAWFSGQI-UHFFFAOYSA-N;138.21;2.42;;;;;DOPC;MDCG;27;0;"MARTINI bead: N0_C5";;;;;;;1.94;;0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM457365;MM457365;CCC12CC1C(C=O)CN2;MSGKTLDMGKSAPF-UHFFFAOYSA-N;139.2;0.57;;;;;DOPC;MDCG;27;1;"MARTINI bead: SNd_SP2";;;;;;;-0.24;;-6.29;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM457366;MM457366;CC=CCC=NN=CCO;ALXRWUQOFKKPQT-UHFFFAOYSA-N;140.19;1;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1_P2";;;;;;;1.8;;0.4;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM457367;MM457367;CCC12CC1C(C#N)CN2;QEJIJLIREPZSPO-UHFFFAOYSA-N;136.2;0.9;;;;;DOPC;MDCG;27;1;"MARTINI bead: SNd_SP1";;;;;;;0.04;;-3.92;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM457368;MM457368;CC=CCC=NN=COC;XSYYUYZZDXITSP-UHFFFAOYSA-N;140.19;1.61;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_C2";;;;;;;2.83;;0.35;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM457369;MM457369;C=CC1CNC2(CN)CC12;TTZOORHFHLVGPD-UHFFFAOYSA-N;138.21;0.11;;;;;DOPC;MDCG;27;1;"MARTINI bead: SP2_SN0";;;;;;;0.06;;-5.41;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM457370;MM457370;CCC=NN=CCC=NN;XNNRTAZZYHFEMY-UHFFFAOYSA-N;140.19;0.79;;;;;DOPC;MDCG;27;0;"MARTINI bead: N0_Nd";;;;;;;1.17;;-1.04;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM457371;MM457371;C=CC1CNC2(CO)CC12;DUJGCXBFHFLICX-UHFFFAOYSA-N;139.2;0.14;;;;;DOPC;MDCG;27;1;"MARTINI bead: SP2_SN0";;;;;;;0.06;;-5.24;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM457372;MM457372;CCC=NN=CCC=NO;PLDPEPFDESGWOQ-UHFFFAOYSA-N;141.17;1.3;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4_P1";;;;;;;1.37;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM457373;MM457373;O=CC1CNC2(CO)CC12;PSBRZDLLDMSBRQ-UHFFFAOYSA-N;141.17;-0.84;;;;;DOPC;MDCG;27;1;"MARTINI bead: SP2_SP2";;;;;;;-1.34;;-6.72;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM457374;MM457374;CCCON=CC(C)F;QOLXVGJDDRDPQM-UHFFFAOYSA-N;133.17;1.76;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_C5";;;;;;;2.41;;0.64;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM457375;MM457375;C=CC1CNC2(CF)CC12;MJZXYLQIKPRJTR-UHFFFAOYSA-N;141.19;1.12;;;;;DOPC;MDCG;27;1;"MARTINI bead: SP1_SN0";;;;;;;0.34;;-3.65;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM457376;MM457376;C=CCON=CC(C)F;BJYBXNFYZIQTJL-UHFFFAOYSA-N;131.15;1.53;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_Na";;;;;;;1.64;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM457377;MM457377;O=CC1CNC2(CF)CC12;UHKRJUNGYNLBMI-UHFFFAOYSA-N;143.16;0.13;;;;;DOPC;MDCG;27;1;"MARTINI bead: SP1_SP2";;;;;;;-1.06;;-5.31;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM457378;MM457378;CC=COC=NN=CCN;UKCYJQKCSYTUAN-UHFFFAOYSA-N;141.17;0.51;;;;;DOPC;MDCG;27;1;"MARTINI bead: C4_P2";;;;;;;1.09;;-1.47;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM457379;MM457379;C=CC1COC2(CC)CC12;QPIIFTLDAOIWLK-UHFFFAOYSA-N;138.21;1.99;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNa_SN0";;;;;;;1.17;;-1.18;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM457380;MM457380;CC=COC=NN=CCO;BKDXBKKLCIFRTI-UHFFFAOYSA-N;142.16;0.54;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_Nda";;;;;;;0.87;;-1.99;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM457381;MM457381;CCC12CC1C(C=O)CO2;LHJUMLXAOVXNQY-UHFFFAOYSA-N;140.18;1;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNa_SP1";;;;;;;0.04;;-2.54;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM457382;MM457382;NCC=NN=COC=CF;CREPYRDDQHYMRL-UHFFFAOYSA-N;145.14;0.42;;;;;DOPC;MDCG;27;1;"MARTINI bead: P2_C5";;;;;;;0.54;;-2.21;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM457383;MM457383;CCC12CC1C(C#N)CO2;OGCUMBHINSWRFI-UHFFFAOYSA-N;137.18;1.33;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNa_SP1";;;;;;;0.04;;-2.54;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM457384;MM457384;OCC=NN=COC=CF;OXSMZYZPXZZJHB-UHFFFAOYSA-N;146.12;0.45;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda_Na";;;;;;;0.87;;-1.99;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM457385;MM457385;C=CC1COC2(CN)CC12;DTRAXTUKDKCTDJ-UHFFFAOYSA-N;139.2;0.54;;;;;DOPC;MDCG;27;1;"MARTINI bead: SP2_SN0";;;;;;;0.06;;-4.32;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM457386;MM457386;CC=COC=NN=COC;JSDIUDWDXXAUFV-UHFFFAOYSA-N;142.16;1.15;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_Na";;;;;;;0.87;;-2.22;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM457387;MM457387;C=CC1COC2(CO)CC12;RHEGLLUHPFUQKR-UHFFFAOYSA-N;140.18;0.57;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP2_SN0";;;;;;;0.06;;-2.21;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM457388;MM457388;COC=NN=COC=CF;HWVCWVZPMHUOEC-UHFFFAOYSA-N;146.12;1.06;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_Na";;;;;;;0.87;;-2.22;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM457389;MM457389;O=CC1COC2(CO)CC12;GAXLXBMKVNOGNM-UHFFFAOYSA-N;142.15;-0.42;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP2_SP1";;;;;;;-1.06;;-3.82;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM457390;MM457390;C#CCON=CC(C)F;FGMOVXCNGHBYJO-UHFFFAOYSA-N;129.13;0.98;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_Na";;;;;;;1.64;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM457391;MM457391;N#CC1COC2(CO)CC12;IXZYZWLZAVLSQW-UHFFFAOYSA-N;139.15;-0.09;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP2_SP1";;;;;;;-1.06;;-3.82;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM457392;MM457392;C=CN=CNC(=N)C=O;JANNSMOLSFKCGK-UHFFFAOYSA-N;125.13;-0.08;;;;;DOPC;MDCG;27;0;"MARTINI bead: N0_P3";;;;;;;-0.8;;-2.99;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM457393;MM457393;C=CC1COC2(CF)CC12;SLNTYLVQFIDLII-UHFFFAOYSA-N;142.17;1.55;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP1_SN0";;;;;;;0.34;;-1.53;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM457394;MM457394;CCC=NN=COC=NO;WGKJCDPYRKUWOE-UHFFFAOYSA-N;143.15;0.84;;;;;DOPC;MDCG;27;0;"MARTINI bead: C3_P2";;;;;;;1.46;;-0.15;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM457395;MM457395;O=CC1COC2(CF)CC12;CXENPQNNPDFLRU-UHFFFAOYSA-N;144.15;0.56;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP1_SP1";;;;;;;-0.79;;-3.13;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM457396;MM457396;ON=COC=NN=CCF;KNQDFXULVAZRBJ-UHFFFAOYSA-N;147.11;0.4;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_C5";;;;;;;0.54;;-1.09;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM457397;MM457397;C=CC1COC2(OC)CC12;LACPYQHQROQBLW-UHFFFAOYSA-N;140.18;1.18;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP1_SN0";;;;;;;0.34;;-1.53;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM457398;MM457398;CC=NOC=NN=CCC;FQRLILAWHFOPDC-UHFFFAOYSA-N;141.17;1.43;;;;;DOPC;MDCG;27;0;"MARTINI bead: N0_Na";;;;;;;1.17;;-1.18;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM457399;MM457399;COC12CC1C(C#N)CO2;IJKJJEAQNXQUMI-UHFFFAOYSA-N;139.15;0.52;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP1_SP1";;;;;;;-0.79;;-3.13;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM457400;MM457400;Nc1on(N)c(=O)c1N;HZLBZDQZIIVPFA-UHFFFAOYSA-N;130.11;-1.68;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP2_SP1";;;;;;;-1.06;;-3.82;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM457401;MM457401;CCC12CCN(C=N)C1C2;BBTDSYWWTIOSCX-UHFFFAOYSA-N;138.21;1.47;;;;;DOPC;MDCG;27;1;"MARTINI bead: SN0_SP1";;;;;;;0.34;;-5.34;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM457402;MM457402;CN=CNN=CC=CCN;CRVGPCRPMBXVCT-UHFFFAOYSA-N;140.19;-0.27;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_P1";;;;;;;0.04;;-4.86;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM457403;MM457403;CCC12CCN(C=O)C1C2;IIALBGLNOBIBNK-UHFFFAOYSA-N;139.2;1.02;;;;;DOPC;MDCG;27;0;"MARTINI bead: SN0_SP1";;;;;;;0.34;;-1.53;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM457404;MM457404;CC1=C(F)C(=N)NC1=N;CHIGEKIHQUFUMW-UHFFFAOYSA-N;127.12;0.79;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNda_SP1";;;;;;;0.04;;-2.73;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM457405;MM457405;N=CN1CCC2(CN)CC12;PLIPAWIDRPSHLW-UHFFFAOYSA-N;139.2;0.02;;;;;DOPC;MDCG;27;1;"MARTINI bead: SP2_SP1";;;;;;;-1.06;;-7.54;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM457406;MM457406;CC1CN1NC(=N)C#N;QEQBQVOQUPAPMD-UHFFFAOYSA-N;124.15;-0.3;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP2_P1";;;;;;;-1.06;;-3.82;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM457407;MM457407;Nc1cnc(=O)n(N)c1;NKEOJVZPZPEOHV-UHFFFAOYSA-N;126.12;-1.46;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP1_SP2";;;;;;;-1.06;;-3.82;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM457408;MM457408;NCC12CCN(C=O)C1C2;JMLVEEWYFYCMDC-UHFFFAOYSA-N;140.19;-0.43;;;;;DOPC;MDCG;27;1;"MARTINI bead: SP2_SP1";;;;;;;-1.06;;-5.86;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM457409;MM457409;N=CN1CCC2(CO)CC12;OUASPQHSNBVJMJ-UHFFFAOYSA-N;140.19;0.05;;;;;DOPC;MDCG;27;1;"MARTINI bead: SP2_SP1";;;;;;;-1.06;;-7.51;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM457410;MM457410;CN=CNNC=CN=NC;CMSPTRXLSYFPQV-UHFFFAOYSA-N;141.18;0.29;;;;;DOPC;MDCG;27;1;"MARTINI bead: P3_C5";;;;;;;-0.33;;-3.75;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM457411;MM457411;O=CN1CCC2(CO)CC12;DCAMDAMEBUNDRM-UHFFFAOYSA-N;141.17;-0.4;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP2_SP1";;;;;;;-1.06;;-3.82;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM457412;MM457412;CN1CCC(=O)C=C1N;FYVLRSVXCZFOME-UHFFFAOYSA-N;126.16;-0.31;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNd_SP2";;;;;;;-0.24;;-3.16;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM457413;MM457413;N=CN1CCC2(CF)CC12;MHRWHTGDKMXJTA-UHFFFAOYSA-N;142.18;1.03;;;;;DOPC;MDCG;27;1;"MARTINI bead: SNa_SP1";;;;;;;0.04;;-6.26;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM457414;MM457414;N#CC(=N)NNC1CC1;GVMAPAFHOACFTB-UHFFFAOYSA-N;124.15;-0.26;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_SP1";;;;;;;-1.06;;-3.82;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM457415;MM457415;O=CN1CCC2(CF)CC12;GKZOWEHMIBZRHN-UHFFFAOYSA-N;143.16;0.58;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNa_SP1";;;;;;;0.04;;-2.54;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM457416;MM457416;CC(N)=C(C)C(=O)C(=N)N;UWLQPVXBNPEVIX-UHFFFAOYSA-N;141.17;-0.26;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nd_P3";;;;;;;-1.1;;-3.93;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM457417;MM457417;OCC=CC=NOC=NO;IDKCHWHLZZFWJM-UHFFFAOYSA-N;144.13;-0.05;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_Nda";;;;;;;0.04;;-2.73;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM457418;MM457418;C=NN1CCC2(CC)CC12;NQNGBOGPHIPMGG-UHFFFAOYSA-N;138.21;1.48;;;;;DOPC;MDCG;27;0;"MARTINI bead: SN0_SP1";;;;;;;0.34;;-1.53;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM457419;MM457419;ON=CON=CC=CCF;XYHDGGKCKHLFKZ-UHFFFAOYSA-N;146.12;0.93;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_C4";;;;;;;1.09;;-0.37;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM457420;MM457420;C=NN1CCC2(CN)CC12;MDFUXXKPUXNMOB-UHFFFAOYSA-N;139.2;0.03;;;;;DOPC;MDCG;27;1;"MARTINI bead: SP2_SP1";;;;;;;-1.06;;-5.96;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM457421;MM457421;CN=CC=CNOC=NN;KQNBULNIKYRUIS-UHFFFAOYSA-N;142.16;-0.38;;;;;DOPC;MDCG;27;1;"MARTINI bead: N0_P2";;;;;;;0.06;;-5.7;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM457422;MM457422;C#CC=NNCC#CCC;XLKNEMPNCZQFFT-UHFFFAOYSA-N;134.18;0.61;;;;;DOPC;MDCG;27;0;"MARTINI bead: C3_P1";;;;;;;1.74;;0.29;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM457423;MM457423;CC(F)C=NOCCC#N;ZVQIITYBBFYIAL-UHFFFAOYSA-N;144.15;1.26;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_Na";;;;;;;1.64;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM457424;MM457424;CNC12CCN(C=N)C1C2;LVZDJPQKATVMIV-UHFFFAOYSA-N;139.2;0.03;;;;;DOPC;MDCG;27;1;"MARTINI bead: SP2_SP1";;;;;;;-1.06;;-7.24;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM457425;MM457425;CC=CCC=CC=CC#N;PDZNLKSZPYZLQH-UHFFFAOYSA-N;133.19;2.59;;;;;DOPC;MDCG;27;0;"MARTINI bead: C2_C5";;;;;;;3.6;;0.34;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM457426;MM457426;CNC12CCN(C=O)C1C2;KKRMHLPNFUZHDK-UHFFFAOYSA-N;140.19;-0.42;;;;;DOPC;MDCG;27;1;"MARTINI bead: SP2_SP1";;;;;;;-1.06;;-5.67;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM457427;MM457427;C=CC=CC=CCC=CF;BVXYFTQFAJPUDJ-UHFFFAOYSA-N;138.19;3.16;;;;;DOPC;MDCG;27;0;"MARTINI bead: C3_C1";;;;;;;4.61;;0.31;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM457428;MM457428;C=NN1CCC2(NC)CC12;CDXDCLOERJWYKN-UHFFFAOYSA-N;139.2;0.04;;;;;DOPC;MDCG;27;1;"MARTINI bead: SP2_SP1";;;;;;;-1.06;;-5.18;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM457429;MM457429;C=CC=CC=CCC=NN;PONFLSOVPDJJQL-UHFFFAOYSA-N;136.2;1.62;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nd_C1";;;;;;;2.91;;0.63;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM457430;MM457430;COC12CCN(C=N)C1C2;UCEGWQBNPJWCDE-UHFFFAOYSA-N;140.19;0.46;;;;;DOPC;MDCG;27;1;"MARTINI bead: SP1_SP1";;;;;;;-0.79;;-6.29;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM457431;MM457431;C=CC=CC=CCC=NO;CJOLTEMFJUAYJX-UHFFFAOYSA-N;137.18;2.13;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda_C1";;;;;;;2.91;;0.57;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM457432;MM457432;COC12CCN(C=O)C1C2;LBFHLOOBMLKCPY-UHFFFAOYSA-N;141.17;0.01;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP1_SP1";;;;;;;-0.79;;-3.13;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM457433;MM457433;N#CC=CC=CCC=NO;QQVUNRDLMHOWMA-UHFFFAOYSA-N;136.15;1.47;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_C5";;;;;;;0.81;;-0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM457434;MM457434;C=NN1CCC2(OC)CC12;DTJXCPQKYDGYEN-UHFFFAOYSA-N;140.19;0.47;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP1_SP1";;;;;;;-0.79;;-3.13;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM457435;MM457435;C=CC=CC=COC=CC;HIBSFSKMBGKRMZ-UHFFFAOYSA-N;136.19;2.79;;;;;DOPC;MDCG;27;0;"MARTINI bead: C3_C4";;;;;;;3.9;;0.47;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM457436;MM457436;CCC12CNN(C=N)C1C2;JTDBLFCOTGPCNC-UHFFFAOYSA-N;139.2;0.58;;;;;DOPC;MDCG;27;1;"MARTINI bead: SP1_SP3";;;;;;;-1.93;;-6.78;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM457437;MM457437;CC=COC=CC=CC=O;DTVNQVGROUKOTB-UHFFFAOYSA-N;138.17;1.81;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_Na";;;;;;;1.64;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM457438;MM457438;CCC12CNN(C=O)C1C2;TVRILEBEJYSLHR-UHFFFAOYSA-N;140.19;0.13;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP1_SP2";;;;;;;-1.06;;-3.82;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM457439;MM457439;C=NN=CC=COC=CF;BCWDOWKVHQUXSD-UHFFFAOYSA-N;142.13;1.64;;;;;DOPC;MDCG;27;0;"MARTINI bead: N0_C5";;;;;;;1.94;;0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM457440;MM457440;N=CN1NCC2(CN)CC12;YZJIDJFSUBEYKN-UHFFFAOYSA-N;140.19;-0.87;;;;;DOPC;MDCG;27;1;"MARTINI bead: SP3_SP3";;;;;;;-3.07;;-8.24;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM457441;MM457441;C=NOC=NN=CC(C)F;XYGYMRPOKRWTDT-UHFFFAOYSA-N;145.14;0.99;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_P1";;;;;;;0.81;;-0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM457442;MM457442;NCC12CNN(C=O)C1C2;JSUNKDAIFFIVPU-UHFFFAOYSA-N;141.17;-1.32;;;;;DOPC;MDCG;27;1;"MARTINI bead: SP3_SP2";;;;;;;-2.2;;-6.88;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM457443;MM457443;C=NN=CC=COC=NO;LPGHKHIGKFKUAS-UHFFFAOYSA-N;141.13;0.62;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_C5";;;;;;;0.54;;-1.09;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM457444;MM457444;N=CN1NCC2(CO)CC12;ICDMKBMPAICHQF-UHFFFAOYSA-N;141.17;-0.84;;;;;DOPC;MDCG;27;1;"MARTINI bead: SP3_SP3";;;;;;;-3.07;;-8.15;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM457445;MM457445;C=CC=NN=CCC=CC;YRUAKSCUUHIDRV-UHFFFAOYSA-N;136.2;2.2;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1_N0";;;;;;;3.21;;0.46;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM457446;MM457446;CCCCON=CCC#N;WTIYOCHXCFELHR-UHFFFAOYSA-N;140.19;1.7;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1_P1";;;;;;;2.08;;0.48;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM457447;MM457447;CC=CCC=NN=CC#N;WMRPTVWCXVBEGG-UHFFFAOYSA-N;135.17;1.53;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1_P2";;;;;;;1.8;;0.4;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM457448;MM457448;CNC12CNN(C=N)C1C2;YXFPYHGMYPEQSV-UHFFFAOYSA-N;140.19;-0.86;;;;;DOPC;MDCG;27;1;"MARTINI bead: SP2_SP3";;;;;;;-2.2;;-6.93;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM457449;MM457449;N#CC=NN=CCC=CF;RWXBRANUCVVKAK-UHFFFAOYSA-N;139.13;1.44;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4_N0";;;;;;;2.5;;0.44;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM457450;MM457450;COC12CNN(C=N)C1C2;IGQMNZQIAOWQQV-UHFFFAOYSA-N;141.17;-0.43;;;;;DOPC;MDCG;27;1;"MARTINI bead: SP2_SP3";;;;;;;-2.2;;-6.64;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM457451;MM457451;O=CC=NN=CCC=NO;IHAQKWVQEBVQOK-UHFFFAOYSA-N;141.13;0.09;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_C5";;;;;;;0.81;;-0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM457452;MM457452;COC12CNN(C=O)C1C2;CTRDKZDDRCAIQA-UHFFFAOYSA-N;142.16;-0.88;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP2_SP2";;;;;;;-1.34;;-4.31;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM457453;MM457453;CC=CN=CN=CNC=O;QEABLZKXKSSUJM-UHFFFAOYSA-N;139.16;0.32;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4_P3";;;;;;;0.23;;-1.03;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM457454;MM457454;CCC12CON(C=O)C1C2;UHWOENPBISJDBR-UHFFFAOYSA-N;141.17;0.56;;;;;DOPC;MDCG;27;0;"MARTINI bead: SN0_SP2";;;;;;;0.06;;-2.21;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM457455;MM457455;C=CCC(C)=NNCC#N;CCJXJJUVGYDWHF-UHFFFAOYSA-N;137.19;1.05;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1_P3";;;;;;;0.94;;0.03;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM457456;MM457456;CN=C(C#N)NC(C)=CF;BGJDZNDFNMLUBP-UHFFFAOYSA-N;141.15;0.96;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_C4";;;;;;;1.09;;-0.38;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM457457;MM457457;N=CN1OCC2(CN)CC12;DRFITKBFXDKCAR-UHFFFAOYSA-N;141.17;-0.44;;;;;DOPC;MDCG;27;1;"MARTINI bead: SP2_SP1";;;;;;;-1.06;;-5.35;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM457458;MM457458;N=C(NN)ON=COC=O;PLDQHTZJRWLODW-UHFFFAOYSA-N;146.11;-1.48;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_P1";;;;;;;-1.06;;-3.82;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM457459;MM457459;NCC12CON(C=O)C1C2;ZHDSLWAGSYETDM-UHFFFAOYSA-N;142.16;-0.89;;;;;DOPC;MDCG;27;1;"MARTINI bead: SP2_SP2";;;;;;;-1.34;;-6.28;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM457460;MM457460;C=CCN=CNC(=N)C=O;AXZVOQWFMJPSJG-UHFFFAOYSA-N;139.16;-0.03;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nd_P2";;;;;;;-0.24;;-3.16;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM457461;MM457461;O=CN1OCC2(CO)CC12;ZTNOWJQKYWYZBI-UHFFFAOYSA-N;143.14;-0.86;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP2_SP2";;;;;;;-1.34;;-4.31;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM457462;MM457462;CCC12CCC(C#N)C1N2;KXFOBRRCYXUPBO-UHFFFAOYSA-N;136.2;1.04;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNd_SC5";;;;;;;1.64;;0.02;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM457463;MM457463;C=NN=CC(C#N)ON=C;AJKYTGWMXDRGBX-UHFFFAOYSA-N;138.13;0.2;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_N0";;;;;;;1.17;;-1.18;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM457464;MM457464;CC=CCON=CCC#N;QZIVJLWZZOPGOZ-UHFFFAOYSA-N;138.17;1.48;;;;;DOPC;MDCG;27;0;"MARTINI bead: C2_P1";;;;;;;2;;0.29;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM457465;MM457465;C=CC=NN=COC=CC;RGHALBHAJCTZDG-UHFFFAOYSA-N;138.17;1.74;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_C5";;;;;;;1.64;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM457466;MM457466;N#CCON=CCOC=O;KIXIGQNTIPNIIC-UHFFFAOYSA-N;142.11;-0.31;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_P2";;;;;;;-0.24;;-3.24;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM457467;MM457467;CC=COC=NN=CC=O;TXLKVGHLGRQGGO-UHFFFAOYSA-N;140.14;0.75;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4_Na";;;;;;;2.2;;0.34;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM457468;MM457468;C=CC1CCC2(CF)NC12;LMGXDXUNYOANMN-UHFFFAOYSA-N;141.19;1.26;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNda_SC2";;;;;;;2.83;;0.59;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM457469;MM457469;CC=COC=NN=CC#N;PRHKXQRLTLNBDK-UHFFFAOYSA-N;137.14;1.07;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_N0";;;;;;;1.17;;-1.18;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM457470;MM457470;COC(C#CC1CN1)CF;LLDLSXKXIGMPQC-UHFFFAOYSA-N;143.16;-0.05;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_SP1";;;;;;;0.04;;-2.54;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM457471;MM457471;O=CC=NN=COC=CF;GOVYTZRKHHFZEV-UHFFFAOYSA-N;144.11;0.66;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_Na";;;;;;;0.87;;-2.22;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM457472;MM457472;N#CC=NN=COC=CF;YHJNQSUZZLUNSD-UHFFFAOYSA-N;141.11;0.98;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_N0";;;;;;;1.17;;-1.18;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM457473;MM457473;CCC12CNC(C#N)C1N2;WJUJEIUGBZMTDT-UHFFFAOYSA-N;137.19;-0.4;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP1_SP1";;;;;;;-0.79;;-3.13;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM457474;MM457474;N#CC(=CN)NC=CC=O;RZQSJUVREAHLST-UHFFFAOYSA-N;137.14;-0.39;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_Na";;;;;;;-0.24;;-3.24;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM457475;MM457475;C=CC1NCC2(CN)NC12;VOYIBOAQUIIHPM-UHFFFAOYSA-N;139.2;-1.19;;;;;DOPC;MDCG;27;1;"MARTINI bead: SP3_SNd";;;;;;;-1.1;;-5.72;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM457476;MM457476;C=CC=NN=COC=NO;IKXLJPOWXRBVHV-UHFFFAOYSA-N;141.13;0.62;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_C4";;;;;;;1.09;;-0.37;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM457477;MM457477;C=CC1NCC2(CO)NC12;WBILIQJHWXJAMY-UHFFFAOYSA-N;140.19;-1.15;;;;;DOPC;MDCG;27;1;"MARTINI bead: SP3_SNd";;;;;;;-1.1;;-5.04;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM457478;MM457478;CC=NOC=NN=CC=O;CALBLODOULRVES-UHFFFAOYSA-N;141.13;0.22;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_Na";;;;;;;0.87;;-2.22;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM457479;MM457479;C=CC1NCC2(CF)NC12;STUPKVOUIHLPBW-UHFFFAOYSA-N;142.18;-0.18;;;;;DOPC;MDCG;27;1;"MARTINI bead: SP2_SNd";;;;;;;-0.24;;-4.4;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM457480;MM457480;C=NNC=CN=NC=NO;IVJXASBQZUWCIF-UHFFFAOYSA-N;141.13;0.53;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda_P2";;;;;;;-0.24;;-3.31;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM457481;MM457481;N#CC1NCC2(CF)NC12;SOYSTWSKNHOILP-UHFFFAOYSA-N;141.15;-0.84;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP2_SP1";;;;;;;-1.06;;-3.82;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM457482;MM457482;C=CC=NNC(C=C)=NC;LIEFUNAXTMBTQC-UHFFFAOYSA-N;137.19;0.96;;;;;DOPC;MDCG;27;0;"MARTINI bead: N0_Nd";;;;;;;1.17;;-1.04;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM457483;MM457483;C=CC1OCC2(CC)NC12;QODOQJCRSHGKJM-UHFFFAOYSA-N;139.2;0.69;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNd_SNa";;;;;;;0.87;;-1.88;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM457484;MM457484;CC=C(C#N)C=NNCC;IECFQZDFYHNCMQ-UHFFFAOYSA-N;137.19;1.05;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_C5";;;;;;;0.81;;-0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM457485;MM457485;CCC12COC(C#N)C1N2;NBYCLLWALVNQCP-UHFFFAOYSA-N;138.17;0.03;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNd_SNa";;;;;;;0.87;;-1.88;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM457486;MM457486;C=NN=CC=NOC=NO;MVHMOLWRKIHNHE-UHFFFAOYSA-N;142.12;0.09;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_C5";;;;;;;0.54;;-1.09;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM457487;MM457487;C=CC1OCC2(CN)NC12;QMDWNQDMUIBENG-UHFFFAOYSA-N;140.19;-0.76;;;;;DOPC;MDCG;27;1;"MARTINI bead: SP3_SNa";;;;;;;-1.1;;-6.09;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM457488;MM457488;C#CC=CC=CCC=CC;BIDGCYAFZKSMMI-UHFFFAOYSA-N;132.21;2.7;;;;;DOPC;MDCG;27;0;"MARTINI bead: C2_C4";;;;;;;4.16;;0.44;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM457489;MM457489;CC=NNCC(F)F;HOCRGECRKYENMX-UHFFFAOYSA-N;122.12;0.85;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nd_N0";;;;;;;1.17;;-1.04;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM457490;MM457490;C#CC=CC=CCC=NN;NTCYFICJKJOLON-UHFFFAOYSA-N;134.18;1.07;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nd_C4";;;;;;;2.2;;0.32;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM457491;MM457491;CC(F)C=NN1CC1;PCDGWOIEJUDIHR-UHFFFAOYSA-N;116.14;0.65;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_SP3";;;;;;;-0.33;;-2.01;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM457492;MM457492;C#CC=CC=CCC=NO;IRNAFUWZUCVEIK-UHFFFAOYSA-N;135.17;1.58;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_C4";;;;;;;1.37;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM457493;MM457493;C=CC1OCC2(CF)NC12;BIIBSSZDLCIYMV-UHFFFAOYSA-N;143.16;0.25;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP1_SNa";;;;;;;0.04;;-2.54;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM457494;MM457494;C#CC=CC=COC=CC;BKWZMVWQEPCMFH-UHFFFAOYSA-N;134.18;2.24;;;;;DOPC;MDCG;27;0;"MARTINI bead: C3_N0";;;;;;;2.87;;0.37;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM457495;MM457495;N#CC1OCC2(CF)NC12;NMJIHNHVKQAYBC-UHFFFAOYSA-N;142.13;-0.41;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP1_SNa";;;;;;;0.04;;-2.54;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM457496;MM457496;C#CC=CC=COC=CF;AKCGUYZOKKBZAQ-UHFFFAOYSA-N;138.14;2.15;;;;;DOPC;MDCG;27;0;"MARTINI bead: N0_C4";;;;;;;2.5;;0.44;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM457497;MM457497;C=CC1CCC2(CC)OC12;GCWNJBXCCKBKQA-UHFFFAOYSA-N;138.21;2.13;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC5_SC2";;;;;;;3.6;;0.34;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM457498;MM457498;CN=C1NC2(C#N)CC2O1;DWVJLXGHVXCSHO-UHFFFAOYSA-N;137.14;-0.37;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP1_SP2";;;;;;;-1.06;;-3.82;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM457499;MM457499;CCC12CCC(C=O)C1O2;FEIQWMQTLMLCQA-UHFFFAOYSA-N;140.18;1.14;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC5_SNa";;;;;;;1.64;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM457500;MM457500;C#CC=NN=CCC=CC;UZCPVVRNAHTEJF-UHFFFAOYSA-N;134.18;1.64;;;;;DOPC;MDCG;27;0;"MARTINI bead: C2_C5";;;;;;;3.6;;0.34;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM457501;MM457501;CCC12CCC(C#N)C1O2;ZIVDRZSIYUVHHO-UHFFFAOYSA-N;137.18;1.47;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC5_SC5";;;;;;;2.41;;0.64;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM457502;MM457502;C#CC=NN=CCC=NN;IVVDDKJWLRLHKL-UHFFFAOYSA-N;136.16;0.01;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nd_C5";;;;;;;1.64;;0.02;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM457503;MM457503;C=CC1CCC2(CO)OC12;FZSIWPMLLGXLEC-UHFFFAOYSA-N;140.18;0.71;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP1_SC2";;;;;;;2;;0.29;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM457504;MM457504;C#CC=NN=CCC=NO;MOQNJQVBYWFPSK-UHFFFAOYSA-N;137.14;0.53;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_C5";;;;;;;0.81;;-0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM457505;MM457505;O=CC1CCC2(CO)OC12;GPTBOMJQVVLODP-UHFFFAOYSA-N;142.15;-0.27;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP1_SNa";;;;;;;0.04;;-2.54;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM457506;MM457506;C=CC1NN=C(C#N)C1=C;AIYOUTRTROWCLC-UHFFFAOYSA-N;133.15;0.58;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNd_SP1";;;;;;;0.04;;-2.63;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM457507;MM457507;N#CC1CCC2(CO)OC12;SEPQWLPTJKIISU-UHFFFAOYSA-N;139.15;0.05;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP1_SC5";;;;;;;0.81;;-0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM457508;MM457508;CCNc1cnoc1;BTJNSHWIXIFGQB-UHFFFAOYSA-N;112.13;1.11;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNd_SNa";;;;;;;0.87;;-1.88;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM457509;MM457509;C=CC1CCC2(CF)OC12;KVZNNRUMIAMMDF-UHFFFAOYSA-N;142.17;1.69;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNa_SC2";;;;;;;2.83;;0.35;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM457510;MM457510;C#CC=NN=COC=CC;XFHNIBSWGKIEDN-UHFFFAOYSA-N;136.15;1.18;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_C5";;;;;;;1.64;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM457511;MM457511;O=CC1CCC2(CF)OC12;YRFSIDATDDYEEZ-UHFFFAOYSA-N;144.15;0.7;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNa_SNa";;;;;;;0.87;;-2.22;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM457512;MM457512;C#CC=NN=COC=CF;PNNQJRUCBCPSTA-UHFFFAOYSA-N;140.12;1.09;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_C5";;;;;;;1.64;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM457513;MM457513;C=CC1NCC2(CC)OC12;XSUHUCWHRLXJMM-UHFFFAOYSA-N;139.2;0.69;;;;;DOPC;MDCG;27;1;"MARTINI bead: SNa_SNd";;;;;;;0.87;;-3.1;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM457514;MM457514;C#CC=NN=CON=CC;PDLYNLLTVVTSCP-UHFFFAOYSA-N;137.14;0.66;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_N0";;;;;;;1.17;;-1.18;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM457515;MM457515;N#CC1NCC2(CF)OC12;JTQDDUGHUWNCFN-UHFFFAOYSA-N;142.13;-0.41;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP1_SP1";;;;;;;-0.79;;-3.13;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM457516;MM457516;NN=CC#CC1CO1;JEDOHPIKHNUBBQ-UHFFFAOYSA-N;110.12;-0.67;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_SP1";;;;;;;-0.79;;-3.13;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM457517;MM457517;C#CC=CC=NOC=NO;JUIMQIRUWGJFGJ-UHFFFAOYSA-N;138.13;0.6;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_C4";;;;;;;1.09;;-0.37;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM457518;MM457518;C=CC1OCC2(CC)OC12;LYCGGNJASMDCGW-UHFFFAOYSA-N;140.18;1.12;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNa_SNa";;;;;;;0.87;;-2.22;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM457519;MM457519;CC#CCC=CC=CCN;AYUVMNJYUAKQJS-UHFFFAOYSA-N;135.21;1.47;;;;;DOPC;MDCG;27;1;"MARTINI bead: C4_Nd";;;;;;;2.2;;-1.66;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM457520;MM457520;CCC12COC(C=O)C1O2;NGPREBGZZSNTSF-UHFFFAOYSA-N;142.15;0.13;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNa_SP1";;;;;;;0.04;;-2.54;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM457521;MM457521;CC#CCC=CC=CCO;CQPPETBGPCWZRB-UHFFFAOYSA-N;136.19;1.5;;;;;DOPC;MDCG;27;0;"MARTINI bead: C3_Nda";;;;;;;2.57;;0.44;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM457522;MM457522;CCC12COC(C#N)C1O2;COVRCLVRTPNYMI-UHFFFAOYSA-N;139.15;0.46;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNa_SNa";;;;;;;0.87;;-2.22;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM457523;MM457523;CC#CCC=CC=CCF;BKGKQCYIKRIOFH-UHFFFAOYSA-N;138.19;2.48;;;;;DOPC;MDCG;27;0;"MARTINI bead: C3_Na";;;;;;;2.57;;0.45;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM457524;MM457524;C=CC1OCC2(CO)OC12;MBIHSNJWEXYTHD-UHFFFAOYSA-N;142.15;-0.3;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP2_SNa";;;;;;;-0.24;;-3.24;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM457525;MM457525;CC#CCC=CC=NNC;SLASTWKALWPIII-UHFFFAOYSA-N;136.2;1.16;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_C3";;;;;;;1.46;;-0.15;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM457526;MM457526;N#CC1OCC2(CO)OC12;MHECHXWVYMGVPG-UHFFFAOYSA-N;141.13;-0.96;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP2_SNa";;;;;;;-0.24;;-3.24;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM457527;MM457527;CC#CCC=NN=CCC;XBIRXNZZRJFJGS-UHFFFAOYSA-N;136.2;1.87;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4_C4";;;;;;;3.53;;0.53;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM457528;MM457528;Cc1noc(C)c1N;INSUSOZBMWJGDG-UHFFFAOYSA-N;112.13;0.87;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNa_SNd";;;;;;;0.87;;-1.88;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM457529;MM457529;CC#CCC=NN=COC;DTDOGNGQWPOHRD-UHFFFAOYSA-N;138.17;1.06;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_C4";;;;;;;2.2;;0.34;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM457530;MM457530;CCC12CCC(C#N)N1C2;UCCGBEXSWJOYCU-UHFFFAOYSA-N;136.2;1.14;;;;;DOPC;MDCG;27;0;"MARTINI bead: SN0_SP1";;;;;;;0.34;;-1.53;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM457531;MM457531;C=CC=CC=CCC#CC;GIKUIRVMMNPDFB-UHFFFAOYSA-N;132.21;2.7;;;;;DOPC;MDCG;27;0;"MARTINI bead: C3_C4";;;;;;;3.9;;0.47;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM457532;MM457532;CC1(C)CC(C#N)=NN1;VYASUZPLDKLKEB-UHFFFAOYSA-N;123.16;0.64;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNd_SP1";;;;;;;0.04;;-2.63;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM457533;MM457533;CC#CCC=CC=CC=O;CRKUOKBEBLTXAD-UHFFFAOYSA-N;134.18;1.71;;;;;DOPC;MDCG;27;0;"MARTINI bead: C3_Na";;;;;;;2.57;;0.45;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM457534;MM457534;COC(=N)NC(=N)OC;JGWVWIIQBJAABJ-UHFFFAOYSA-N;131.14;-0.26;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_P1";;;;;;;-1.06;;-3.82;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM457535;MM457535;CC#CCC=CC=CC#N;PQRPHUHKCHFFRT-UHFFFAOYSA-N;131.18;2.04;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4_C5";;;;;;;2.97;;0.45;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM457536;MM457536;CCN(C)N=CC(C)F;WPKQYMPDDYVHMS-UHFFFAOYSA-N;132.18;1.28;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_C5";;;;;;;0.81;;-0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM457537;MM457537;C=NN=CC=CCC#CC;HTIBMQFWHUKAHN-UHFFFAOYSA-N;134.18;1.64;;;;;DOPC;MDCG;27;0;"MARTINI bead: C3_N0";;;;;;;2.87;;0.37;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM457538;MM457538;CN(C)N=C(CF)NN;XBGHCRPZNYGGOT-UHFFFAOYSA-N;134.16;-0.71;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_P2";;;;;;;-1.06;;-3.82;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM457539;MM457539;C=CC=NN=CCC#CC;JQMGBHSXDZEMLQ-UHFFFAOYSA-N;134.18;1.64;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4_C5";;;;;;;2.97;;0.45;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM457540;MM457540;CCC12CCN(C=N)N1C2;KCJKHQLZUGJPDP-UHFFFAOYSA-N;139.2;0.68;;;;;DOPC;MDCG;27;1;"MARTINI bead: SP1_SP3";;;;;;;-1.93;;-7;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM457541;MM457541;CC#CCC=NN=CC#N;XSFHMVBFHNQCJE-UHFFFAOYSA-N;133.15;0.98;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4_N0";;;;;;;2.5;;0.44;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM457542;MM457542;CCC12CCN(C=O)N1C2;BAVCXOMGGDNFGV-UHFFFAOYSA-N;140.19;0.23;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP1_SP2";;;;;;;-1.06;;-3.82;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM457543;MM457543;C#CC=CC=CCC#CC;UXAGHSFKAKBQLX-UHFFFAOYSA-N;130.19;2.15;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4_C4";;;;;;;3.53;;0.53;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM457544;MM457544;N=CN1CCC2(CN)CN12;VZEBMJJRLFXLMJ-UHFFFAOYSA-N;140.19;-0.77;;;;;DOPC;MDCG;27;1;"MARTINI bead: SP3_SP3";;;;;;;-3.07;;-8.44;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM457545;MM457545;CCC#CC=CCCCC;CNFOWZBOCHMRDR-UHFFFAOYSA-N;136.24;3.15;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1_C2";;;;;;;4.87;;0.53;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM457546;MM457546;NCC12CCN(C=O)N1C2;LHZHREMLFIETQM-UHFFFAOYSA-N;141.17;-1.22;;;;;DOPC;MDCG;27;1;"MARTINI bead: SP3_SP2";;;;;;;-2.2;;-6.72;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM457547;MM457547;CCCCC=CC#CCN;TYXKNXMMSBBPOL-UHFFFAOYSA-N;137.23;1.69;;;;;DOPC;MDCG;27;1;"MARTINI bead: C1_Nd";;;;;;;2.91;;0.45;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM457548;MM457548;CCCCC=CC#CCF;LJDQMOWLDZUEAX-UHFFFAOYSA-N;140.2;2.71;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1_Na";;;;;;;2.91;;0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM457549;MM457549;N=CN1CCC2(CO)CN12;MKUKIRFUPBOPIW-UHFFFAOYSA-N;141.17;-0.74;;;;;DOPC;MDCG;27;1;"MARTINI bead: SP3_SP3";;;;;;;-3.07;;-8.41;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM457550;MM457550;O=CN1CCC2(CO)CN12;ZCPCAGSFZGYXAK-UHFFFAOYSA-N;142.16;-1.19;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP3_SP2";;;;;;;-2.2;;-5.19;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM457551;MM457551;NCC#CC=CCCCN;VJKNFCMSZMNYQD-UHFFFAOYSA-N;138.21;0.24;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_Nd";;;;;;;0.87;;-4.92;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM457552;MM457552;N=CN1CCC2(CF)CN12;QLACFQASEQQXSY-UHFFFAOYSA-N;143.17;0.24;;;;;DOPC;MDCG;27;1;"MARTINI bead: SP2_SP3";;;;;;;-2.2;;-7.46;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM457553;MM457553;CCC#CC=CCCOC;NRCSNPUCCGAVMJ-UHFFFAOYSA-N;138.21;1.99;;;;;DOPC;MDCG;27;0;"MARTINI bead: C2_Na";;;;;;;2.83;;0.35;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM457554;MM457554;O=CN1CCC2(CF)CN12;DBQUWJMXPGQTMA-UHFFFAOYSA-N;144.15;-0.21;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP2_SP2";;;;;;;-1.34;;-4.31;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM457555;MM457555;COCCC=CC#CCN;VTGSPZODUMGPMV-UHFFFAOYSA-N;139.2;0.54;;;;;DOPC;MDCG;27;1;"MARTINI bead: Na_Nd";;;;;;;0.87;;-3.24;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM457556;MM457556;C#CC1CCC2(CC)CC12;OMLADXQWHAWAAV-UHFFFAOYSA-N;134.22;2.45;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC2_SC4";;;;;;;4.16;;0.44;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM457557;MM457557;CCC#CC=CCNCC;WQKOKZSWTTULEM-UHFFFAOYSA-N;137.23;1.57;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_C2";;;;;;;2.83;;-0.3;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM457558;MM457558;C#CC1CCC2(CN)CC12;QNXRCJARUHJTJV-UHFFFAOYSA-N;135.21;0.99;;;;;DOPC;MDCG;27;1;"MARTINI bead: SNd_SC4";;;;;;;2.2;;-1.91;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM457559;MM457559;CCNCC=CC#CCN;WIDJFQIUIGFGTF-UHFFFAOYSA-N;138.21;0.11;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_Nd";;;;;;;0.87;;-4.47;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM457560;MM457560;CCC#CC=CCOCC;WCCWXYYYNKYJTD-UHFFFAOYSA-N;138.21;1.99;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_C2";;;;;;;2.83;;0.35;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM457561;MM457561;CN=CNC(=N)OC=O;QFGQRFDURXPZOZ-UHFFFAOYSA-N;129.12;-0.66;;;;;DOPC;MDCG;27;0;"MARTINI bead: N0_P3";;;;;;;-0.8;;-2.99;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM457562;MM457562;C#CC1CCC2(NC)CC12;VVCFLTIXADJRKA-UHFFFAOYSA-N;135.21;1.01;;;;;DOPC;MDCG;27;1;"MARTINI bead: SNd_SC4";;;;;;;2.2;;-2.3;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM457563;MM457563;CCOCC=CC#CCN;DAWHVSBTZCNDJW-UHFFFAOYSA-N;139.2;0.54;;;;;DOPC;MDCG;27;1;"MARTINI bead: Na_Nd";;;;;;;0.87;;-3.23;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM457564;MM457564;C#CC1CCC2(OC)CC12;BZPHAAFFZZSKSS-UHFFFAOYSA-N;136.19;1.43;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC5_SC4";;;;;;;2.97;;0.45;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM457565;MM457565;CCOCC=CC#CCO;GJSHUGZFWWYBNG-UHFFFAOYSA-N;140.18;0.57;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_Nda";;;;;;;1.64;;0.05;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM457566;MM457566;CCC#CC=COCCC;YLDJBIGEKBBXCM-UHFFFAOYSA-N;138.21;2.34;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_C3";;;;;;;2.57;;0.45;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM457567;MM457567;C#CC1NCC2(CC)CC12;GCSJTLZADLKBEA-UHFFFAOYSA-N;135.21;1.01;;;;;DOPC;MDCG;27;1;"MARTINI bead: SN0_SNd";;;;;;;1.17;;-3.53;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM457568;MM457568;C#CC1NCC2(CN)CC12;PMOLSGPNTZODLN-UHFFFAOYSA-N;136.2;-0.44;;;;;DOPC;MDCG;27;1;"MARTINI bead: SP2_SNd";;;;;;;-0.24;;-5.58;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM457569;MM457569;CCCOC=CC#CCO;NKANXXWWJFYONG-UHFFFAOYSA-N;140.18;0.92;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4_P2";;;;;;;1.09;;-0.38;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM457570;MM457570;C#CC1NCC2(CO)CC12;TYNARFNHWTZSAO-UHFFFAOYSA-N;137.18;-0.41;;;;;DOPC;MDCG;27;1;"MARTINI bead: SP2_SNd";;;;;;;-0.24;;-5.13;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM457571;MM457571;CCCOC=CC#CCF;QODXUHVHFRPPNA-UHFFFAOYSA-N;142.17;1.9;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4_Na";;;;;;;2.2;;0.34;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM457572;MM457572;C#CC1NCC2(CF)CC12;YINSQKUKEVHPKA-UHFFFAOYSA-N;139.17;0.57;;;;;DOPC;MDCG;27;1;"MARTINI bead: SNa_SNd";;;;;;;0.87;;-4;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM457573;MM457573;CCC#CC=COCCN;OQMXBCKZTOGZBV-UHFFFAOYSA-N;139.2;0.89;;;;;DOPC;MDCG;27;1;"MARTINI bead: C3_P2";;;;;;;1.46;;-2.05;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM457574;MM457574;C#CC1NCC2(NC)CC12;VABMZABVEKASLM-UHFFFAOYSA-N;136.2;-0.43;;;;;DOPC;MDCG;27;1;"MARTINI bead: SP2_SNd";;;;;;;-0.24;;-5.22;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM457575;MM457575;NCC#CC=COCCN;RFYAVNKZHFNKMX-UHFFFAOYSA-N;140.19;-0.56;;;;;DOPC;MDCG;27;1;"MARTINI bead: P2_Nd";;;;;;;-0.24;;-5.26;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM457576;MM457576;C#CC1NCC2(OC)CC12;ITFZTFUQDJLFQY-UHFFFAOYSA-N;137.18;;;;;;DOPC;MDCG;27;1;"MARTINI bead: SP1_SNd";;;;;;;0.04;;-4.44;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM457577;MM457577;NCCOC=CC#CCO;MTGQLXJJAZBXGJ-UHFFFAOYSA-N;141.17;-0.53;;;;;DOPC;MDCG;27;1;"MARTINI bead: P2_Nda";;;;;;;-0.24;;-5.33;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM457578;MM457578;C#CC1OCC2(CC)CC12;GJMCXJOGVMUXCJ-UHFFFAOYSA-N;136.19;1.43;;;;;DOPC;MDCG;27;0;"MARTINI bead: SN0_SNa";;;;;;;1.17;;-1.18;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM457579;MM457579;NCCOC=CC#CCF;TUTNIAFEDVAMII-UHFFFAOYSA-N;143.16;0.45;;;;;DOPC;MDCG;27;1;"MARTINI bead: P2_C5";;;;;;;0.54;;-3.1;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM457580;MM457580;C#CC1OCC2(CN)CC12;HGKOMUQBRNWLAG-UHFFFAOYSA-N;137.18;-0.02;;;;;DOPC;MDCG;27;1;"MARTINI bead: SP1_SNa";;;;;;;0.04;;-4.95;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM457581;MM457581;CCC#CC=COCCO;YXYGBWFPKIJNSW-UHFFFAOYSA-N;140.18;0.92;;;;;DOPC;MDCG;27;0;"MARTINI bead: C2_P3";;;;;;;0.86;;-0.3;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM457582;MM457582;C#CC1OCC2(CO)CC12;QDPKJFXZLUHPNZ-UHFFFAOYSA-N;138.17;0.02;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP1_SNa";;;;;;;0.04;;-2.54;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM457583;MM457583;OCCOC=CC#CCF;FQHMIVCPVUNAON-UHFFFAOYSA-N;144.15;0.48;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_C5";;;;;;;0.54;;-1.09;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM457584;MM457584;C#CC1OCC2(CF)CC12;XYLIVYINOUKZCL-UHFFFAOYSA-N;140.16;0.99;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNa_SNa";;;;;;;0.87;;-2.22;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM457585;MM457585;NCC#CC=COCCF;HLTQZDRCBHKBJA-UHFFFAOYSA-N;143.16;0.45;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_Na";;;;;;;0.87;;-3.2;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM457586;MM457586;CCC#CC=COCOC;IOOGJORGNWHYBP-UHFFFAOYSA-N;140.18;1.53;;;;;DOPC;MDCG;27;0;"MARTINI bead: C3_P1";;;;;;;1.74;;0.29;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM457587;MM457587;C#CC1OCC2(NC)CC12;UZQQWDDHURUNPT-UHFFFAOYSA-N;137.18;;;;;;DOPC;MDCG;27;1;"MARTINI bead: SP1_SNa";;;;;;;0.04;;-4.45;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM457588;MM457588;COCOC=CC#CCF;ITPKDECKGGHTCM-UHFFFAOYSA-N;144.15;1.09;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_Na";;;;;;;0.87;;-2.22;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM457589;MM457589;C#CC1CNC2(CC)CC12;QUUIOYCEDDBRSG-UHFFFAOYSA-N;135.21;1.01;;;;;DOPC;MDCG;27;1;"MARTINI bead: SNd_SP1";;;;;;;0.04;;-5.94;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM457590;MM457590;CCC#CC=NNCCC;DFKFFICOPCJPPP-UHFFFAOYSA-N;138.21;1.39;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nd_C3";;;;;;;2.57;;0.53;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM457591;MM457591;C#CC1CNC2(CN)CC12;QVNODXUOJRPBJA-UHFFFAOYSA-N;136.2;-0.44;;;;;DOPC;MDCG;27;1;"MARTINI bead: SP2_SP1";;;;;;;-1.06;;-6.62;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM457592;MM457592;CCCNN=CC#CCN;HCDJCUIGDOLDCL-UHFFFAOYSA-N;139.2;-0.07;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_Nd";;;;;;;0.87;;-3.32;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM457593;MM457593;C#CC1CNC2(CO)CC12;MUNARGSTBBWILI-UHFFFAOYSA-N;137.18;-0.41;;;;;DOPC;MDCG;27;1;"MARTINI bead: SP2_SP1";;;;;;;-1.06;;-6.4;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM457594;MM457594;C#CC12CC1C=NN2;RGJQTCBCNLASLS-UHFFFAOYSA-N;106.13;-0.03;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNd_SP1";;;;;;;0.04;;-2.63;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM457595;MM457595;C#CC1CNC2(CF)CC12;JPFMNFQGZYHWKX-UHFFFAOYSA-N;139.17;0.57;;;;;DOPC;MDCG;27;1;"MARTINI bead: SP1_SP1";;;;;;;-0.79;;-4.78;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM457596;MM457596;CCCNN=CC#CCF;ARPPORFTZATFEA-UHFFFAOYSA-N;142.18;0.94;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nd_Na";;;;;;;0.87;;-1.88;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM457597;MM457597;C#CC1COC2(CC)CC12;ANVHQINHHGFVGI-UHFFFAOYSA-N;136.19;1.43;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNa_SN0";;;;;;;1.17;;-1.18;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM457598;MM457598;CCC#CC=NNCCN;DZVJCQJBEGXGFK-UHFFFAOYSA-N;139.2;-0.07;;;;;DOPC;MDCG;27;1;"MARTINI bead: C3_P4";;;;;;;0.52;;-3.14;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM457599;MM457599;C#CC1COC2(CN)CC12;MREZHSZIPFAHIM-UHFFFAOYSA-N;137.18;-0.02;;;;;DOPC;MDCG;27;1;"MARTINI bead: SP2_SN0";;;;;;;0.06;;-4.32;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM457600;MM457600;NCCNN=CC#CCO;NICZUCLBUSVIJO-UHFFFAOYSA-N;141.17;-1.48;;;;;DOPC;MDCG;27;1;"MARTINI bead: P2_P2";;;;;;;-1.34;;-5.92;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM457601;MM457601;C#CC1COC2(CO)CC12;SQLIDVOCYNKHAB-UHFFFAOYSA-N;138.17;0.02;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP2_SN0";;;;;;;0.06;;-2.21;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM457602;MM457602;NCC#CC=NNCCO;HBPJITKMPAILMY-UHFFFAOYSA-N;141.17;-1.48;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_P3";;;;;;;-1.1;;-5.14;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM457603;MM457603;C#CC1COC2(CF)CC12;IFLCTIQKZUJALZ-UHFFFAOYSA-N;140.16;0.99;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP1_SN0";;;;;;;0.34;;-1.53;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM457604;MM457604;C=C(C)C=NNCC#N;WRMASOBENHJLQC-UHFFFAOYSA-N;123.16;0.66;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_P1";;;;;;;0.81;;-0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM457605;MM457605;C#CC1COC2(OC)CC12;ZOQVIIFHHULQNW-UHFFFAOYSA-N;138.17;0.63;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP1_SN0";;;;;;;0.34;;-1.53;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM457606;MM457606;CCC#CC=NOCCC;ZDWYTCJDODSKHX-UHFFFAOYSA-N;139.2;1.81;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_C5";;;;;;;1.64;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM457607;MM457607;C#CC1CCC2(CN)NC12;RQQSVHAWOBCJPW-UHFFFAOYSA-N;136.2;-0.3;;;;;DOPC;MDCG;27;1;"MARTINI bead: SP2_SC4";;;;;;;1.09;;-2.32;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM457608;MM457608;CCCON=CC#CCN;SUDRBEMNBJQYKD-UHFFFAOYSA-N;140.19;0.36;;;;;DOPC;MDCG;27;1;"MARTINI bead: Na_Nd";;;;;;;0.87;;-3.07;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM457609;MM457609;C#CC1CCC2(CF)NC12;LGTKJYBJYSIIFU-UHFFFAOYSA-N;139.17;0.71;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNda_SC4";;;;;;;2.2;;0.49;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM457610;MM457610;NCCON=CC#CCO;WKOJWSQFRHLITR-UHFFFAOYSA-N;142.16;-1.06;;;;;DOPC;MDCG;27;1;"MARTINI bead: P3_Nda";;;;;;;-1.1;;-5.42;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM457611;MM457611;C#CC1NCC2(CC)NC12;UKBDOVRZFFGCPT-UHFFFAOYSA-N;136.2;-0.29;;;;;DOPC;MDCG;27;1;"MARTINI bead: SP1_SNd";;;;;;;0.04;;-3.72;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM457612;MM457612;NCC#CC=NOCCO;HFXMZJCQHVTBQC-UHFFFAOYSA-N;142.16;-1.06;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_P3";;;;;;;-1.1;;-5.12;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM457613;MM457613;C#CC1NCC2(CN)NC12;PAEOPBFMFCRYOI-UHFFFAOYSA-N;137.19;-1.74;;;;;DOPC;MDCG;27;1;"MARTINI bead: SP3_SNd";;;;;;;-1.1;;-5.61;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM457614;MM457614;FCC#CC=NOCCF;DZNCRNGDUDEQPC-UHFFFAOYSA-N;147.12;0.93;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_Na";;;;;;;0.87;;-2.22;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM457615;MM457615;C#CC1OCC2(CC)NC12;PNZCAGBMJVXZFJ-UHFFFAOYSA-N;137.18;0.14;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNd_SNa";;;;;;;0.87;;-1.88;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM457616;MM457616;CCC#CC=NOCOC;FQNXBPCBOYFIRN-UHFFFAOYSA-N;141.17;1.01;;;;;DOPC;MDCG;27;0;"MARTINI bead: C3_P2";;;;;;;1.46;;-0.15;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM457617;MM457617;CC(F)C=NN1CC1C;FLRVTOBCIYPCRS-UHFFFAOYSA-N;130.17;1.03;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_SP2";;;;;;;0.54;;-1.09;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM457618;MM457618;COCON=CC#CCN;KEYRTHWFPVDJLA-UHFFFAOYSA-N;142.16;-0.45;;;;;DOPC;MDCG;27;1;"MARTINI bead: P2_Nd";;;;;;;-0.24;;-4.33;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM457619;MM457619;C#CC1CCC2(CC)OC12;LAUTVBNQQXHINI-UHFFFAOYSA-N;136.19;1.58;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC5_SC4";;;;;;;2.97;;0.45;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM457620;MM457620;C#CC1CCC2(CN)OC12;PTMFWAWBXRMRHV-UHFFFAOYSA-N;137.18;0.13;;;;;DOPC;MDCG;27;1;"MARTINI bead: SP1_SC4";;;;;;;1.37;;-1.99;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM457621;MM457621;C=CC=NN=CC(C)F;GTFAWXGSQBIRQO-UHFFFAOYSA-N;128.15;1.59;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_C5";;;;;;;2.41;;0.64;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM457622;MM457622;C#CC1CCC2(CO)OC12;MELFBIPYXPGQES-UHFFFAOYSA-N;138.17;0.16;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP1_SC4";;;;;;;1.37;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM457623;MM457623;COCON=CC#CCF;LVMLMDNOBNEZIY-UHFFFAOYSA-N;145.13;0.57;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_C5";;;;;;;0.54;;-1.09;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM457624;MM457624;C#CC1CCC2(CF)OC12;BBQXAPOTNADETD-UHFFFAOYSA-N;140.16;1.14;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNa_SC4";;;;;;;2.2;;0.34;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM457625;MM457625;C=CC#CC=CCCCC;YNORGOZLNZMPIN-UHFFFAOYSA-N;134.22;2.92;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1_C4";;;;;;;4.24;;0.42;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM457626;MM457626;C#CC1NCC2(CN)OC12;DCAXXQCXAZSFBU-UHFFFAOYSA-N;138.17;-1.31;;;;;DOPC;MDCG;27;1;"MARTINI bead: SP3_SNd";;;;;;;-1.1;;-5.65;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM457627;MM457627;CCCCC=CC#CC=O;SBRHRPIMQYIDDU-UHFFFAOYSA-N;136.19;1.94;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1_P1";;;;;;;2.08;;0.48;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM457628;MM457628;C#CC1OCC2(CC)OC12;FVQJMHNMONMPPL-UHFFFAOYSA-N;138.17;0.57;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNa_SNa";;;;;;;0.87;;-2.22;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM457629;MM457629;CCCCC=CC#CC#N;LEJXPHYRXLAOTI-UHFFFAOYSA-N;133.19;2.26;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1_N0";;;;;;;3.21;;0.46;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM457630;MM457630;C#CC1OCC2(CO)OC12;DBWFDRDPFYBPJO-UHFFFAOYSA-N;140.14;-0.85;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP2_SNa";;;;;;;-0.24;;-3.24;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM457631;MM457631;C=CC#CC=CCCCN;AFZJBEUQCJKBOM-UHFFFAOYSA-N;135.21;1.47;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_C4";;;;;;;2.2;;-2.21;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM457632;MM457632;C#CC1CCC2(CC)CN12;VEIPZGXITSDNPF-UHFFFAOYSA-N;135.21;1.25;;;;;DOPC;MDCG;27;0;"MARTINI bead: SN0_SNd";;;;;;;1.17;;-1.04;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM457633;MM457633;C=C(C#N)C=NNCC;JAYPDOBUTOJQLY-UHFFFAOYSA-N;123.16;0.66;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nd_N0";;;;;;;1.17;;-1.04;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM457634;MM457634;CN=C(NOC=O)OC;PEUFSLLVHVPGAN-UHFFFAOYSA-N;132.12;-0.7;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_P2";;;;;;;-0.24;;-3.24;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM457635;MM457635;NC=C1CCN(N)C1=O;MIFJFVQYXNVBFW-UHFFFAOYSA-N;127.15;-1.07;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP2_SP2";;;;;;;-1.34;;-4.31;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM457636;MM457636;C#CC1CCC2(CF)CN12;HQCQHPJACGSXET-UHFFFAOYSA-N;139.17;0.81;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNa_SNd";;;;;;;0.87;;-1.88;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM457637;MM457637;C=CC#CC=CCCNC;PTVUANJXDLIRCD-UHFFFAOYSA-N;135.21;1.34;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_C4";;;;;;;2.2;;-2.47;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM457638;MM457638;CNCCC=CC#CC#N;AJYLFMDAAWSCFP-UHFFFAOYSA-N;134.18;0.68;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_N0";;;;;;;1.17;;-4.1;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM457639;MM457639;C=CC12CCC(CC)C1C2;UKSSOVQWNGGQEV-UHFFFAOYSA-N;136.24;3;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC1_SC4";;;;;;;4.24;;0.42;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM457640;MM457640;C=CC#CC=CCCOC;VMEXLPJKEQJDAJ-UHFFFAOYSA-N;136.19;1.77;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_C4";;;;;;;2.2;;0.34;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM457641;MM457641;C=CC12CCC(CN)C1C2;PXGJRCNCCYZZGD-UHFFFAOYSA-N;137.23;1.55;;;;;DOPC;MDCG;27;1;"MARTINI bead: SC5_SC4";;;;;;;2.97;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM457642;MM457642;COCCC=CC#CC#N;JGYYNDSGDUKRLH-UHFFFAOYSA-N;135.17;1.11;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_N0";;;;;;;1.17;;-1.18;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM457643;MM457643;C=CC12CCC(CF)C1C2;PLEWBUBMKCFWII-UHFFFAOYSA-N;140.2;2.56;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC3_SC4";;;;;;;3.9;;0.47;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM457644;MM457644;C=CC#CC=CCNCC;MQZMNWJHZPWSKH-UHFFFAOYSA-N;135.21;1.34;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_C4";;;;;;;2.2;;-1.72;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM457645;MM457645;CCC1CCC2(C=O)CC12;LVNMUMDXDCRBGD-UHFFFAOYSA-N;138.21;2.01;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC1_SNa";;;;;;;2.91;;0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM457646;MM457646;CCNCC=CC#CC#N;MQAZLTIIISOOGS-UHFFFAOYSA-N;134.18;0.68;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_N0";;;;;;;1.17;;-3.28;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM457647;MM457647;N#CC(F)C1(C#N)CN1;DCTMDVPVQXNZCH-UHFFFAOYSA-N;125.11;-0.29;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_SP2";;;;;;;-0.24;;-3.24;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM457648;MM457648;O=CC12CCC(CF)C1C2;IJULQRWQCADEIL-UHFFFAOYSA-N;142.17;1.57;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC3_SNa";;;;;;;2.57;;0.45;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM457649;MM457649;C=CC#CC=CCOCC;JOBDQZRZVRKUSJ-UHFFFAOYSA-N;136.19;1.77;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_C4";;;;;;;2.97;;0.45;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM457650;MM457650;CCOCC=CC#CC#N;XRLWCQBJKIWVOL-UHFFFAOYSA-N;135.17;1.11;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_N0";;;;;;;1.17;;-1.18;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM457651;MM457651;C=CC12CCC(NC)C1C2;YRSBGEIFVWJIHQ-UHFFFAOYSA-N;137.23;1.56;;;;;DOPC;MDCG;27;1;"MARTINI bead: SNd_SC4";;;;;;;2.2;;-2.71;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM457652;MM457652;CNC1CCC2(C=O)CC12;AFGRVHINBDQGPZ-UHFFFAOYSA-N;139.2;0.57;;;;;DOPC;MDCG;27;1;"MARTINI bead: SNd_SNa";;;;;;;0.87;;-4.87;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM457653;MM457653;C=CC#CC=COCCC;LXGHHVVXKBUBSV-UHFFFAOYSA-N;136.19;2.12;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_C4";;;;;;;2.2;;0.34;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM457654;MM457654;CNC1CCC2(C#N)CC12;LEVROQWUFKFPAO-UHFFFAOYSA-N;136.2;0.9;;;;;DOPC;MDCG;27;1;"MARTINI bead: SNd_SC5";;;;;;;1.64;;-2.19;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM457655;MM457655;CCCOC=CC#CC=O;RXHNWUCAONGNMJ-UHFFFAOYSA-N;138.17;1.13;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4_P1";;;;;;;1.37;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM457656;MM457656;COC1CCC2(C=O)CC12;XUXLTFWSXYSTOU-UHFFFAOYSA-N;140.18;1;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC5_SNa";;;;;;;1.64;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM457657;MM457657;CCCOC=CC#CC#N;PBNMNYQMYFIDQB-UHFFFAOYSA-N;135.17;1.45;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_N0";;;;;;;1.17;;-1.18;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM457658;MM457658;COC1CCC2(C#N)CC12;KZYFDPZHYISVRP-UHFFFAOYSA-N;137.18;1.33;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC5_SC5";;;;;;;2.41;;0.64;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM457659;MM457659;C=CC#CC=COCCN;LBMQVGZETICHEF-UHFFFAOYSA-N;137.18;0.66;;;;;DOPC;MDCG;27;1;"MARTINI bead: P2_C4";;;;;;;1.09;;-2.36;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM457660;MM457660;C=CC12CNC(CC)C1C2;TWOWUXVKMDTIJM-UHFFFAOYSA-N;137.23;1.56;;;;;DOPC;MDCG;27;1;"MARTINI bead: SNd_SP1";;;;;;;0.04;;-6.34;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM457661;MM457661;C=CC#CC=COCCO;ZMDZZLZSFSEBKC-UHFFFAOYSA-N;138.17;0.7;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_C4";;;;;;;1.09;;-0.38;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM457662;MM457662;C=CC12CNC(CN)C1C2;IUPZZBVXQHHAGA-UHFFFAOYSA-N;138.21;0.11;;;;;DOPC;MDCG;27;1;"MARTINI bead: SP1_SP1";;;;;;;-0.79;;-6.3;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM457663;MM457663;N#CC#CC=COCCO;YOFDSNLMZRHZQK-UHFFFAOYSA-N;137.14;0.04;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_N0";;;;;;;0.34;;-1.53;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM457664;MM457664;C=CC12CNC(CO)C1C2;RVITVHRMOMSKRQ-UHFFFAOYSA-N;139.2;0.14;;;;;DOPC;MDCG;27;1;"MARTINI bead: SP1_SP1";;;;;;;-0.79;;-6.14;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM457665;MM457665;C=CC#CC=COCCF;DJEZBXXTZXZAOF-UHFFFAOYSA-N;140.16;1.68;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_C4";;;;;;;2.2;;0.34;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM457666;MM457666;CCC1NCC2(C=O)CC12;PNEDFGWDBKABIR-UHFFFAOYSA-N;139.2;0.57;;;;;DOPC;MDCG;27;1;"MARTINI bead: SNd_SP2";;;;;;;-0.24;;-6.48;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM457667;MM457667;N#CC#CC=COCCF;AOWBTYAKHNGGOA-UHFFFAOYSA-N;139.13;1.01;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_N0";;;;;;;1.17;;-1.18;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM457668;MM457668;CCC1NCC2(C#N)CC12;AZAZCNHNUPAVMJ-UHFFFAOYSA-N;136.2;0.9;;;;;DOPC;MDCG;27;1;"MARTINI bead: SNd_SP1";;;;;;;0.04;;-4.13;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM457669;MM457669;C=CC#CC=COCOC;IVEICNFNCNSCOU-UHFFFAOYSA-N;138.17;1.31;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_C4";;;;;;;1.09;;-0.38;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM457670;MM457670;COCOC=CC#CC=O;VMAGVWHZUHNYPL-UHFFFAOYSA-N;140.14;0.32;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_C5";;;;;;;0.81;;-0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM457671;MM457671;O=CC12CNC(CO)C1C2;UKENZGZXLGYCIE-UHFFFAOYSA-N;141.17;-0.84;;;;;DOPC;MDCG;27;1;"MARTINI bead: SP1_SP2";;;;;;;-1.06;;-6.44;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM457672;MM457672;COCOC=CC#CC#N;XGXPRHIDNBFXRA-UHFFFAOYSA-N;137.14;0.65;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_N0";;;;;;;1.17;;-1.18;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM457673;MM457673;O=CC12CNC(CF)C1C2;LBSFGIZWGFRZSX-UHFFFAOYSA-N;143.16;0.13;;;;;DOPC;MDCG;27;1;"MARTINI bead: SNda_SP2";;;;;;;-0.24;;-5.01;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM457674;MM457674;C=CC#CC=NNCCC;XTJOKRLHCJBPFO-UHFFFAOYSA-N;136.2;1.16;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nd_C4";;;;;;;2.2;;0.32;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM457675;MM457675;C=CC12COC(CC)C1C2;UNZBATPGYTWZMY-UHFFFAOYSA-N;138.21;1.99;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC5_SN0";;;;;;;1.94;;0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM457676;MM457676;CCCNN=CC#CC=O;ZGFCZXOWONOOEG-UHFFFAOYSA-N;138.17;0.17;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nd_C5";;;;;;;1.64;;0.02;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM457677;MM457677;C=CC12COC(CO)C1C2;POUCEDKBGZZPOO-UHFFFAOYSA-N;140.18;0.57;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP1_SN0";;;;;;;0.34;;-1.53;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM457678;MM457678;CCCNN=CC#CC#N;QOIPUYXFPWSWCK-UHFFFAOYSA-N;135.17;0.5;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nd_N0";;;;;;;1.17;;-1.04;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM457679;MM457679;CCC1OCC2(C=O)CC12;LMDSFAFDSVNANP-UHFFFAOYSA-N;140.18;1;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC5_SP1";;;;;;;0.81;;-0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM457680;MM457680;COC1(C=O)C=NNC1;QCBQNELAWPMGHB-UHFFFAOYSA-N;128.13;-0.84;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP1_SP1";;;;;;;-0.79;;-3.13;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM457681;MM457681;CCC1OCC2(C#N)CC12;HBFSPJNZINHTAA-UHFFFAOYSA-N;137.18;1.33;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC5_SP1";;;;;;;0.81;;-0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM457682;MM457682;O=CN1CCC(=O)CC1;NMDUFFZOCLWSIP-UHFFFAOYSA-N;127.14;-0.19;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNda_SP2";;;;;;;-0.24;;-3.31;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM457683;MM457683;N#CC12COC(CO)C1C2;NJHJWGIYCPRSCV-UHFFFAOYSA-N;139.15;-0.09;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP1_SP1";;;;;;;-0.79;;-3.13;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM457684;MM457684;N#CC#CC=NNCCF;DJNZDODULCBIDW-UHFFFAOYSA-N;139.13;0.06;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_Nd";;;;;;;1.64;;0.02;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM457685;MM457685;N#CC12COC(CF)C1C2;MNBBEOPXTBATPM-UHFFFAOYSA-N;141.15;0.88;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNa_SP1";;;;;;;0.04;;-2.54;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM457686;MM457686;C=CC#CC=NOCCC;KJWQXZZFZVRCHT-UHFFFAOYSA-N;137.18;1.59;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_C4";;;;;;;2.2;;0.34;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM457687;MM457687;COC1OCC2(C#N)CC12;BVQMFIGBNOITQQ-UHFFFAOYSA-N;139.15;0.52;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNa_SP1";;;;;;;0.04;;-2.54;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM457688;MM457688;CCCON=CC#CC=O;MPFNPUBDMPEFEO-UHFFFAOYSA-N;139.15;0.6;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_P1";;;;;;;0.81;;-0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM457689;MM457689;C=CC12CC1C(CC)CN2;DDEIDEISPJPBPJ-UHFFFAOYSA-N;137.23;1.56;;;;;DOPC;MDCG;27;1;"MARTINI bead: SN0_SNd";;;;;;;1.17;;-4.11;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM457690;MM457690;CCCON=CC#CC#N;DQGYQYXPONDRRM-UHFFFAOYSA-N;136.15;0.93;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_N0";;;;;;;1.17;;-1.18;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM457691;MM457691;C=CC12CC1C(CN)CN2;VGKCNOSQASWWPL-UHFFFAOYSA-N;138.21;0.11;;;;;DOPC;MDCG;27;1;"MARTINI bead: SP2_SNd";;;;;;;-0.24;;-6.04;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM457692;MM457692;C=CC#CC=NOCOC;OYKQUWYFUBEXMS-UHFFFAOYSA-N;139.15;0.78;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_C4";;;;;;;1.09;;-0.38;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM457693;MM457693;C=CC12CC1C(CO)CN2;HCXVBUPYYWZPIV-UHFFFAOYSA-N;139.2;0.14;;;;;DOPC;MDCG;27;1;"MARTINI bead: SP1_SNd";;;;;;;0.04;;-5.18;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM457694;MM457694;COCON=CC#CC=O;SANRYVHIBUUXEK-UHFFFAOYSA-N;141.13;-0.21;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_C5";;;;;;;0.54;;-1.09;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM457695;MM457695;CCC1CNC2(C=O)CC12;XLXVTJBYVRAWAQ-UHFFFAOYSA-N;139.2;0.57;;;;;DOPC;MDCG;27;1;"MARTINI bead: SN0_SP1";;;;;;;0.34;;-3.37;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM457696;MM457696;COCON=CC#CC#N;WJRKFYKBBNRNSQ-UHFFFAOYSA-N;138.13;0.12;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_N0";;;;;;;0.34;;-1.53;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM457697;MM457697;O=CC12CC1C(CO)CN2;ISKZYWAYNBUBHG-UHFFFAOYSA-N;141.17;-0.84;;;;;DOPC;MDCG;27;1;"MARTINI bead: SP1_SP1";;;;;;;-0.79;;-4.44;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM457698;MM457698;C#CC#CC=CCCCC;YZERXWVCXGWWHX-UHFFFAOYSA-N;132.21;2.37;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1_C4";;;;;;;4.24;;0.42;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM457699;MM457699;CC12CC1C(NN)=NO2;TVOCGXUKMHKUCJ-UHFFFAOYSA-N;127.15;-0.43;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNa_SP2";;;;;;;-0.24;;-3.24;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM457700;MM457700;C#CC#CC=CCCCN;VIVDFTSSEFKSFG-UHFFFAOYSA-N;133.19;0.92;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_C4";;;;;;;2.2;;-2.21;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM457701;MM457701;C=CC12CC1C(NC)CN2;GLMIQTKNXHXACV-UHFFFAOYSA-N;138.21;0.12;;;;;DOPC;MDCG;27;1;"MARTINI bead: SP1_SNd";;;;;;;0.04;;-5.09;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM457702;MM457702;CC=CC=NNCC#N;KRIWLBIKOPUSAZ-UHFFFAOYSA-N;123.16;0.66;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_P1";;;;;;;0.81;;-0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM457703;MM457703;CNC1CNC2(C=O)CC12;GTKCFDAULIXVSC-UHFFFAOYSA-N;140.19;-0.86;;;;;DOPC;MDCG;27;1;"MARTINI bead: SP1_SP1";;;;;;;-0.79;;-5.12;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM457704;MM457704;C#CC#CC=CCCNC;OCYNZSMJLRYXCX-UHFFFAOYSA-N;133.19;0.79;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_C4";;;;;;;2.2;;-2.47;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM457705;MM457705;CNC1CNC2(C#N)CC12;LDNAPAISPZCRDT-UHFFFAOYSA-N;137.19;-0.54;;;;;DOPC;MDCG;27;1;"MARTINI bead: SP1_SP1";;;;;;;-0.79;;-4.37;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM457706;MM457706;C#CC#CC=CCCOC;PFFSUELYTCDXGZ-UHFFFAOYSA-N;134.18;1.22;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_C4";;;;;;;2.2;;0.34;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM457707;MM457707;C=CC12CC1C(OC)CN2;XHIJXEDEYGEXJB-UHFFFAOYSA-N;139.2;0.55;;;;;DOPC;MDCG;27;1;"MARTINI bead: SP1_SNd";;;;;;;0.04;;-4.78;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM457708;MM457708;C#CC#CC=CCNCC;IMHVRDTWEJKKFC-UHFFFAOYSA-N;133.19;0.79;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_C4";;;;;;;2.2;;-1.7;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM457709;MM457709;COC1CNC2(C#N)CC12;OTEXSOBLKHOSLL-UHFFFAOYSA-N;138.17;-0.11;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP1_SP1";;;;;;;-0.79;;-3.13;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM457710;MM457710;C#CC#CC=CCOCC;XMKOTYRUMVPWTB-UHFFFAOYSA-N;134.18;1.22;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_C4";;;;;;;2.2;;0.34;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM457711;MM457711;C=CC12CC1C(CC)CO2;ZOLSBFKLQZBEQL-UHFFFAOYSA-N;138.21;1.99;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC5_SNa";;;;;;;1.64;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM457712;MM457712;C#CC#CC=COCCC;COUKTPHSHBQJRX-UHFFFAOYSA-N;134.18;1.56;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_C4";;;;;;;2.2;;0.34;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM457713;MM457713;C=CC12CC1C(CN)CO2;OZUYDOASJDJMJF-UHFFFAOYSA-N;139.2;0.54;;;;;DOPC;MDCG;27;1;"MARTINI bead: SP1_SNa";;;;;;;0.04;;-5.26;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM457714;MM457714;C#CC#CC=COCCN;CTWXKADLHRLESA-UHFFFAOYSA-N;135.17;0.11;;;;;DOPC;MDCG;27;1;"MARTINI bead: P2_C4";;;;;;;1.09;;-2.36;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM457715;MM457715;C=CC12CC1C(CO)CO2;SGCYNWAKCLPESG-UHFFFAOYSA-N;140.18;0.57;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP1_SNa";;;;;;;0.04;;-2.54;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM457716;MM457716;C#CC#CC=COCCO;HMJSDPREESJBDF-UHFFFAOYSA-N;136.15;0.15;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_C4";;;;;;;1.09;;-0.38;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM457717;MM457717;CCC1COC2(C=O)CC12;JHVWEWPRVJYBJK-UHFFFAOYSA-N;140.18;1;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC5_SNa";;;;;;;1.64;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM457718;MM457718;C#CC#CC=COCOC;MZAXWTFZTLLSHI-UHFFFAOYSA-N;136.15;0.76;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_C4";;;;;;;1.09;;-0.38;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM457719;MM457719;CCC1COC2(C#N)CC12;WWXUXMSWOFFYGH-UHFFFAOYSA-N;137.18;1.33;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC5_SNa";;;;;;;1.64;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM457720;MM457720;C#CC#CC=NNCCC;ZYXKPWGCABYTMZ-UHFFFAOYSA-N;134.18;0.61;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nd_C4";;;;;;;2.2;;0.32;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM457721;MM457721;O=CC12CC1C(CO)CO2;PYLBOVUNGWLNLB-UHFFFAOYSA-N;142.15;-0.42;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP1_SNa";;;;;;;0.04;;-2.54;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM457722;MM457722;C=CC#CC(F)C1CN1;WZQFPBZMKZMKGI-UHFFFAOYSA-N;125.15;0.49;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4_SP2";;;;;;;1.09;;-0.37;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM457723;MM457723;N#CC12CC1C(CO)CO2;IHDMXFGVUZHLGL-UHFFFAOYSA-N;139.15;-0.09;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP1_SNa";;;;;;;0.04;;-2.54;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM457724;MM457724;C#CC#CC=NOCCC;JATHXPSFCPSAMW-UHFFFAOYSA-N;135.17;1.04;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_C4";;;;;;;2.2;;0.34;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM457725;MM457725;C=CC12CC1C(NC)CO2;AUTYBBARQWFSKT-UHFFFAOYSA-N;139.2;0.55;;;;;DOPC;MDCG;27;1;"MARTINI bead: SP1_SNa";;;;;;;0.04;;-4.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM457726;MM457726;C#CC#CC=NOCCN;NPDZEYJZKTUCHQ-UHFFFAOYSA-N;136.15;-0.42;;;;;DOPC;MDCG;27;1;"MARTINI bead: P3_C4";;;;;;;0.23;;-2.47;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM457727;MM457727;C#CC#CC=NOCCF;XOXZFGLNCGQXNR-UHFFFAOYSA-N;139.13;0.59;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_C4";;;;;;;1.37;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM457728;MM457728;CNC1COC2(C=O)CC12;MKLFDSAACAOJNK-UHFFFAOYSA-N;141.17;-0.44;;;;;DOPC;MDCG;27;1;"MARTINI bead: SP1_SNa";;;;;;;0.04;;-4.6;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM457729;MM457729;CNC1COC2(C#N)CC12;JCFZTGXSIHMCET-UHFFFAOYSA-N;138.17;-0.11;;;;;DOPC;MDCG;27;1;"MARTINI bead: SP1_SNa";;;;;;;0.04;;-3.87;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM457730;MM457730;C#CC#CC=NOCOC;YYOPJAZYHUBIJZ-UHFFFAOYSA-N;137.14;0.23;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_C4";;;;;;;1.09;;-0.38;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM457731;MM457731;COC1COC2(C=O)CC12;AYUFWKSAOSBOFJ-UHFFFAOYSA-N;142.15;-0.01;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNa_SNa";;;;;;;0.87;;-2.22;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM457732;MM457732;C=CCCC=CC#CCC;KGGBIBDEQDMCGV-UHFFFAOYSA-N;134.22;2.92;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_C1";;;;;;;3.68;;0.46;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM457733;MM457733;COC1COC2(C#N)CC12;ZNVUYIVPZUIOSX-UHFFFAOYSA-N;139.15;0.31;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNa_SNa";;;;;;;0.87;;-2.22;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM457734;MM457734;CCC#CC=CCCC=O;LMKCYYOZAVYAHN-UHFFFAOYSA-N;136.19;1.94;;;;;DOPC;MDCG;27;0;"MARTINI bead: C2_Na";;;;;;;2.83;;0.35;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM457735;MM457735;C=CC12CCN(CC)C1C2;VJHIUIYEOXTCDM-UHFFFAOYSA-N;137.23;1.66;;;;;DOPC;MDCG;27;1;"MARTINI bead: SNd_SP1";;;;;;;0.04;;-4.91;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM457736;MM457736;N=CNCC=CC#CCN;ACOSYYRNMBCTOX-UHFFFAOYSA-N;137.19;-0.3;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_P2";;;;;;;-0.24;;-7.15;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM457737;MM457737;CCN1CCC2(C=O)CC12;HLTTUBBZDIFCCP-UHFFFAOYSA-N;139.2;0.67;;;;;DOPC;MDCG;27;1;"MARTINI bead: SNd_SP1";;;;;;;0.04;;-4.14;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM457738;MM457738;N=CNCC=CC#CCO;JLOWLELNTDQTHF-UHFFFAOYSA-N;138.17;-0.27;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nda_P2";;;;;;;-0.24;;-7.23;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM457739;MM457739;C=CC12CCC(CN)C1N2;ZALNGZWAPSALOV-UHFFFAOYSA-N;138.21;0.25;;;;;DOPC;MDCG;27;1;"MARTINI bead: SC5_SNd";;;;;;;1.64;;-2.36;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM457740;MM457740;O=CNCC=CC#CCF;LKNNSUWWOXFMAN-UHFFFAOYSA-N;141.15;0.26;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_P1";;;;;;;0.81;;-0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM457741;MM457741;O=CC12CCC(CF)C1N2;MNYMDOMPHULFOR-UHFFFAOYSA-N;143.16;0.28;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC3_SP1";;;;;;;1.74;;0.29;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM457742;MM457742;C=NNCC=CC#CCC;LMKRQRXNALQQDD-UHFFFAOYSA-N;136.2;1.16;;;;;DOPC;MDCG;27;0;"MARTINI bead: C3_Nd";;;;;;;2.57;;0.53;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM457743;MM457743;C=CC12CNC(CO)C1N2;WRZGHBLVERXUMP-UHFFFAOYSA-N;140.19;-1.15;;;;;DOPC;MDCG;27;1;"MARTINI bead: SP1_SP2";;;;;;;-1.06;;-5.43;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM457744;MM457744;C=COCC=CC#CCC;RMLPOICTUOBCNV-UHFFFAOYSA-N;136.19;2.12;;;;;DOPC;MDCG;27;0;"MARTINI bead: C3_C5";;;;;;;3.34;;0.48;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM457745;MM457745;CCC1NCC2(C=O)NC12;MJPGTFVEQBZATQ-UHFFFAOYSA-N;140.19;-0.72;;;;;DOPC;MDCG;27;1;"MARTINI bead: SNd_SP3";;;;;;;-1.1;;-5.63;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM457746;MM457746;C=NOCC=CC#CCF;PMPDRAHTFSKEEK-UHFFFAOYSA-N;141.15;1.15;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_Na";;;;;;;1.64;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM457747;MM457747;C=CC12COC(CC)C1N2;BUXALIWJWNVYKO-UHFFFAOYSA-N;139.2;0.69;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC5_SP1";;;;;;;0.81;;-0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM457748;MM457748;C=CCOC=CC#CCC;KKOBRKRSLMBYEV-UHFFFAOYSA-N;136.19;2.12;;;;;DOPC;MDCG;27;0;"MARTINI bead: C3_Na";;;;;;;2.57;;0.45;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM457749;MM457749;C=CC12COC(CN)C1N2;SFOXFTMKAQXLAO-UHFFFAOYSA-N;140.19;-0.76;;;;;DOPC;MDCG;27;1;"MARTINI bead: SP1_SP1";;;;;;;-0.79;;-4.86;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM457750;MM457750;CNc1ccn(C=O)n1;LEQXOFRSLJTPEK-UHFFFAOYSA-N;125.13;-0.04;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNd_SP1";;;;;;;0.04;;-2.63;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM457751;MM457751;C=CCOC=CC#CCN;GOWIQVIDWOIWGJ-UHFFFAOYSA-N;137.18;0.66;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_Na";;;;;;;0.87;;-3.2;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM457752;MM457752;C=CC12COC(OC)C1N2;PCRYPPUXTDBSOR-UHFFFAOYSA-N;141.17;-0.11;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNa_SP1";;;;;;;0.04;;-2.54;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM457753;MM457753;C=CCOC=CC#CCO;CWTDFIOJFXADKQ-UHFFFAOYSA-N;138.17;0.7;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_C4";;;;;;;1.09;;-0.38;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM457754;MM457754;C=CC12CCC(CN)C1O2;KTYJKDLQELHKRH-UHFFFAOYSA-N;139.2;0.68;;;;;DOPC;MDCG;27;1;"MARTINI bead: SC5_SNa";;;;;;;1.64;;-2.66;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM457755;MM457755;C=CCOC=CC#CCF;RNTGNWYKBQLQAK-UHFFFAOYSA-N;140.16;1.68;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_C4";;;;;;;2.2;;0.34;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM457756;MM457756;C=CC12CCC(CF)C1O2;HKPGFCRNRPNVPR-UHFFFAOYSA-N;142.17;1.69;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC3_SNa";;;;;;;2.57;;0.45;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM457757;MM457757;CCC#CC=COCC#N;AFZDZRCXURACRT-UHFFFAOYSA-N;135.17;1.45;;;;;DOPC;MDCG;27;0;"MARTINI bead: C3_P1";;;;;;;1.74;;0.29;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM457758;MM457758;CCC1CCC2(C=O)OC12;BNDHJEPXSUFYMF-UHFFFAOYSA-N;140.18;1.14;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC1_SNa";;;;;;;2.91;;0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM457759;MM457759;O=CCOC=CC#CCF;LBLPKISMNKVHCK-UHFFFAOYSA-N;142.13;0.69;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_Na";;;;;;;0.87;;-2.22;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM457760;MM457760;O=CC12CCC(CF)C1O2;BQDFAUWBJYLSSI-UHFFFAOYSA-N;144.15;0.7;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC3_SNa";;;;;;;2.57;;0.45;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM457761;MM457761;N#CCOC=CC#CCF;SOHKZBPISURGPQ-UHFFFAOYSA-N;139.13;1.01;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_Na";;;;;;;0.87;;-2.22;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM457762;MM457762;C=CC12CCC(NC)C1O2;HQJCMSGEJGTPCI-UHFFFAOYSA-N;139.2;0.69;;;;;DOPC;MDCG;27;1;"MARTINI bead: SNd_SNa";;;;;;;0.87;;-4.24;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM457763;MM457763;C=CCNN=CC#CCC;FZGATWFUINSELN-UHFFFAOYSA-N;136.2;1.16;;;;;DOPC;MDCG;27;0;"MARTINI bead: C3_P2";;;;;;;1.46;;-0.15;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM457764;MM457764;CNC1CCC2(C=O)OC12;HWIQDLHDIATVRX-UHFFFAOYSA-N;141.17;-0.3;;;;;DOPC;MDCG;27;1;"MARTINI bead: SNd_SNa";;;;;;;0.87;;-3.94;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM457765;MM457765;C=CCNN=CC#CCF;QFDNWDUBLQKPKL-UHFFFAOYSA-N;140.16;0.72;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_Nd";;;;;;;0.87;;-1.88;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM457766;MM457766;COC1CCC2(C=O)OC12;PJTNAMPAFDEHQC-UHFFFAOYSA-N;142.15;0.13;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC5_SNa";;;;;;;1.64;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM457767;MM457767;C=CCON=CC#CCC;LSLQEXYPHPDCME-UHFFFAOYSA-N;137.18;1.59;;;;;DOPC;MDCG;27;0;"MARTINI bead: C3_Na";;;;;;;2.57;;0.45;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM457768;MM457768;C=CC12CNC(CC)C1O2;ZJHPEPSBSLZFGM-UHFFFAOYSA-N;139.2;0.69;;;;;DOPC;MDCG;27;1;"MARTINI bead: SNd_SP1";;;;;;;0.04;;-4.56;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM457769;MM457769;C=CCON=CC#CCN;ADMGZEJYIAPWSL-UHFFFAOYSA-N;138.17;0.14;;;;;DOPC;MDCG;27;1;"MARTINI bead: P2_C5";;;;;;;0.54;;-2.27;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM457770;MM457770;C=CC12COC(CC)C1O2;SZYAPWHFKZBIOB-UHFFFAOYSA-N;140.18;1.12;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC5_SNa";;;;;;;1.64;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM457771;MM457771;CC(C)(C)NN=CCC#N;LUMLCWJHZUNFGL-UHFFFAOYSA-N;139.2;1.27;;;;;DOPC;MDCG;27;0;"MARTINI bead: C3_P1";;;;;;;1.74;;0.29;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM457772;MM457772;CCC1OCC2(C=O)OC12;ZBLKOYXAFOTSKZ-UHFFFAOYSA-N;142.15;0.13;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC5_SP1";;;;;;;0.81;;-0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM457773;MM457773;C=CCON=CC#CCF;FDWBABNHEBVHDI-UHFFFAOYSA-N;141.15;1.15;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_C5";;;;;;;1.64;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM457774;MM457774;O=CC12COC(CO)C1O2;JHSLQSHJYYMGJT-UHFFFAOYSA-N;144.13;-1.29;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP1_SP1";;;;;;;-0.79;;-3.13;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM457775;MM457775;C=NNC(C)(C)C=CC#N;GRPGMEKDTHQRJN-UHFFFAOYSA-N;137.19;1.05;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nd_N0";;;;;;;1.17;;-1.04;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM457776;MM457776;C=CC12CCC(CN)N1C2;RDBJGDWFLYSJAT-UHFFFAOYSA-N;138.21;0.35;;;;;DOPC;MDCG;27;1;"MARTINI bead: SP1_SN0";;;;;;;0.34;;-3.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM457777;MM457777;CCC#CC=NOCC#N;AFLVWEOGHUJPFQ-UHFFFAOYSA-N;136.15;0.93;;;;;DOPC;MDCG;27;0;"MARTINI bead: C3_P2";;;;;;;1.46;;-0.15;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM457778;MM457778;CCN1C=CC(=O)CC1;ZLOSQFPTDDWVLQ-UHFFFAOYSA-N;125.17;0.79;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC5_SP2";;;;;;;0.54;;-1.09;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM457779;MM457779;CCC=NNC(C)(C)C#N;PEDSLBHWGVGKLX-UHFFFAOYSA-N;139.2;1.27;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nd_N0";;;;;;;1.17;;-1.04;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM457780;MM457780;C=CCONC=NOC;NSCUWVPXFQYEMY-UHFFFAOYSA-N;130.15;0.28;;;;;DOPC;MDCG;27;0;"MARTINI bead: P3_C4";;;;;;;0.23;;-1.03;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM457781;MM457781;N#CCON=CC#CCF;CCKNRVDRJXEAND-UHFFFAOYSA-N;140.12;0.49;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_P2";;;;;;;0.54;;-1.09;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM457782;MM457782;O=CC12CCC(CF)N1C2;WISZCOOSSMNBPV-UHFFFAOYSA-N;143.16;0.37;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNda_SP1";;;;;;;0.04;;-2.73;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM457783;MM457783;C=CC#CC=CCCC=C;YHARTUFDOLYZGV-UHFFFAOYSA-N;132.21;2.7;;;;;DOPC;MDCG;27;0;"MARTINI bead: C3_C4";;;;;;;3.9;;0.47;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM457784;MM457784;C=CC12CCC(C=O)C1C2;JGYULYFTIGCXPB-UHFFFAOYSA-N;136.19;1.79;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC4_SNa";;;;;;;2.2;;0.34;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM457785;MM457785;C=CCCC=CC#CC=O;ZPHOARNGZJFXDB-UHFFFAOYSA-N;134.18;1.71;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1_P1";;;;;;;2.08;;0.48;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM457786;MM457786;C=CC12CCC(C#N)C1C2;CONXRJNODKCAQR-UHFFFAOYSA-N;133.19;2.11;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC4_SC5";;;;;;;2.97;;0.45;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM457787;MM457787;C=CCCC=CC#CC#N;AINKTDPQZMXSSU-UHFFFAOYSA-N;131.18;2.04;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1_N0";;;;;;;3.21;;0.46;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM457788;MM457788;C=CC1CCC2(C=O)CC12;VZIOFEULQCOZSV-UHFFFAOYSA-N;136.19;1.79;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC2_SNa";;;;;;;2.83;;0.35;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM457789;MM457789;C=CC#CC=CCCC#N;JYGYUMZYLUHAPZ-UHFFFAOYSA-N;131.18;2.04;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4_P1";;;;;;;1.37;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM457790;MM457790;C=CC1CCC2(C#N)CC12;QVOQVWAIFFRWDO-UHFFFAOYSA-N;133.19;2.11;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC2_SC5";;;;;;;3.6;;0.34;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM457791;MM457791;N#CC#CC=CCCC=O;DYZGFZRXMOWCJN-UHFFFAOYSA-N;133.15;1.05;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_N0";;;;;;;1.17;;-1.18;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM457792;MM457792;O=CC1CCC2(C=O)CC12;KYYOWCSQKCPSNM-UHFFFAOYSA-N;138.17;0.8;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNa_SNa";;;;;;;0.87;;-2.22;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM457793;MM457793;N#CC#CC=CCCC#N;ZWINXDMVCOFJBK-UHFFFAOYSA-N;130.15;1.37;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_N0";;;;;;;0.34;;-1.53;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM457794;MM457794;N#CC12CCC(C=O)C1C2;NSHKWJHQYZPDPV-UHFFFAOYSA-N;135.17;1.13;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNa_SC5";;;;;;;1.64;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM457795;MM457795;C=CC#CC=CCNC=N;ZCVXHDJOKJKOJP-UHFFFAOYSA-N;134.18;0.93;;;;;DOPC;MDCG;27;1;"MARTINI bead: C4_P2";;;;;;;1.09;;-4.33;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM457796;MM457796;N#CC1CCC2(C#N)CC12;JDKNLVHICMJDLT-UHFFFAOYSA-N;132.17;1.45;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC5_SC5";;;;;;;2.41;;0.64;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM457797;MM457797;N=CNCC=CC#CC=O;GRPKGSHOGXYKIF-UHFFFAOYSA-N;136.15;-0.06;;;;;DOPC;MDCG;27;1;"MARTINI bead: P3_C4";;;;;;;0.23;;-4.89;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM457798;MM457798;C=CC1NCC2(C=C)CC12;SXIJGRPMRAVKRD-UHFFFAOYSA-N;135.21;1.34;;;;;DOPC;MDCG;27;1;"MARTINI bead: SNd_SP1";;;;;;;0.04;;-5.55;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM457799;MM457799;N#CC#CC=CCNC=N;IHVIPXVHBLLVLL-UHFFFAOYSA-N;133.15;0.27;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1_N0";;;;;;;0.34;;-5.58;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM457800;MM457800;C=CC12CNC(C=O)C1C2;CHOZZHODLCPZJK-UHFFFAOYSA-N;137.18;0.35;;;;;DOPC;MDCG;27;1;"MARTINI bead: SP1_SP1";;;;;;;-0.79;;-4.81;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM457801;MM457801;C=CC#CC=CCNC=O;VJMNAAURUFLAFD-UHFFFAOYSA-N;135.17;0.48;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4_P1";;;;;;;1.37;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM457802;MM457802;C=CC1NCC2(C=O)CC12;GKAGKXNDZGAWOG-UHFFFAOYSA-N;137.18;0.35;;;;;DOPC;MDCG;27;1;"MARTINI bead: SNd_SP2";;;;;;;-0.24;;-5.69;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM457803;MM457803;N#CC#CC=CCNC=O;KFCFAVKJIFEFPT-UHFFFAOYSA-N;134.14;-0.18;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_N0";;;;;;;0.34;;-1.53;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM457804;MM457804;C=CC#CC=CCNN=C;ZINKSRYRQGGTJF-UHFFFAOYSA-N;134.18;0.94;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4_P2";;;;;;;1.09;;-0.38;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM457805;MM457805;O=CC1NCC2(C=O)CC12;NOKOWHQKYYMZNK-UHFFFAOYSA-N;139.15;-0.64;;;;;DOPC;MDCG;27;1;"MARTINI bead: SP1_SP2";;;;;;;-1.06;;-5.12;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM457806;MM457806;C=NNCC=CC#CC#N;RTLZUURTKXYGBY-UHFFFAOYSA-N;133.15;0.27;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nd_N0";;;;;;;1.17;;-1.04;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM457807;MM457807;N#CC1NCC2(C=O)CC12;UYPURQZEXJJUNR-UHFFFAOYSA-N;136.15;-0.31;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP2_SP1";;;;;;;-1.06;;-3.82;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM457808;MM457808;C=CC#CC=CCOC=C;JBCYKVSRQUUCHN-UHFFFAOYSA-N;134.18;1.89;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_C4";;;;;;;2.97;;0.45;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM457809;MM457809;N#CC1NCC2(C#N)CC12;PLAMCNXGPBZWNN-UHFFFAOYSA-N;133.15;0.01;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP1_SP1";;;;;;;-0.79;;-3.13;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM457810;MM457810;C=COCC=CC#CC#N;GVCJIDOKZUWBLS-UHFFFAOYSA-N;133.15;1.23;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_N0";;;;;;;1.94;;0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM457811;MM457811;C=CC1OCC2(C=C)CC12;OLJXEVNRPXEOTI-UHFFFAOYSA-N;136.19;1.76;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNa_SN0";;;;;;;1.17;;-1.18;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM457812;MM457812;C=CC12COC(C=O)C1C2;VBMLMODUBLEQRS-UHFFFAOYSA-N;138.17;0.78;;;;;DOPC;MDCG;27;0;"MARTINI bead: SN0_SP1";;;;;;;0.34;;-1.53;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM457813;MM457813;C=CC#CC=CCON=C;NXTORUMKHODVRK-UHFFFAOYSA-N;135.17;1.36;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4_P1";;;;;;;1.37;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM457814;MM457814;C=CC12COC(C#N)C1C2;BLPAEAVSNCNKSO-UHFFFAOYSA-N;135.17;1.1;;;;;DOPC;MDCG;27;0;"MARTINI bead: SN0_SNa";;;;;;;1.17;;-1.18;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM457815;MM457815;C=NOCC=CC#CC=O;ZGEDLHVCRFUBSY-UHFFFAOYSA-N;137.14;0.38;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_C5";;;;;;;1.64;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM457816;MM457816;C=CC1OCC2(C=O)CC12;LWJXMHPDXNWFCX-UHFFFAOYSA-N;138.17;0.78;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNa_SP1";;;;;;;0.04;;-2.54;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM457817;MM457817;C=CC#CC=COCC=C;QFKUZCVRLWTLFC-UHFFFAOYSA-N;134.18;1.89;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_C4";;;;;;;2.2;;0.34;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM457818;MM457818;C=CC1OCC2(C#N)CC12;QWXWCJLIZARUKK-UHFFFAOYSA-N;135.17;1.1;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNa_SP1";;;;;;;0.04;;-2.54;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM457819;MM457819;C=CCOC=CC#CC#N;PAPGBENUKNKQIQ-UHFFFAOYSA-N;133.15;1.23;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_N0";;;;;;;1.17;;-1.18;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM457820;MM457820;N#CC1OCC2(C=O)CC12;CTRYPVRTECMWIG-UHFFFAOYSA-N;137.14;0.11;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP1_SNa";;;;;;;0.04;;-2.54;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM457821;MM457821;C=CC#CC=COCC=O;BCKNPDPNUVYNDK-UHFFFAOYSA-N;136.15;0.91;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4_P1";;;;;;;1.37;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM457822;MM457822;N#CC12COC(C=O)C1C2;LBSJEACYHXPOQV-UHFFFAOYSA-N;137.14;0.11;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP1_SP1";;;;;;;-0.79;;-3.13;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM457823;MM457823;C=CC#CC=COCC#N;IVRQVWGKSMOAEM-UHFFFAOYSA-N;133.15;1.23;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4_P1";;;;;;;1.37;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM457824;MM457824;N#CC1OCC2(C#N)CC12;FCBGYSTUONYCFU-UHFFFAOYSA-N;134.14;0.44;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNa_SP1";;;;;;;0.04;;-2.54;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM457825;MM457825;O=CC#CC=COCC=O;WIOBWKRGTMOBEV-UHFFFAOYSA-N;138.12;-0.08;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_C5";;;;;;;0.81;;-0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM457826;MM457826;C=CC1CNC2(C=C)CC12;NFVSPEVZIVYOTP-UHFFFAOYSA-N;135.21;1.34;;;;;DOPC;MDCG;27;1;"MARTINI bead: SN0_SNd";;;;;;;1.17;;-4.03;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM457827;MM457827;N#CCOC=CC#CC=O;CDOLCRIHZSFDFK-UHFFFAOYSA-N;135.12;0.24;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_P1";;;;;;;0.81;;-0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM457828;MM457828;C=CC12CC1C(C=O)CN2;FKXQCRKEBVOFAV-UHFFFAOYSA-N;137.18;0.35;;;;;DOPC;MDCG;27;1;"MARTINI bead: SNd_SP2";;;;;;;-0.24;;-5.5;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM457829;MM457829;C=CC#CC=NNCC=C;QTAPFLDJUKNOQQ-UHFFFAOYSA-N;134.18;0.94;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_C4";;;;;;;1.09;;-0.38;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM457830;MM457830;C=CC1CNC2(C=O)CC12;OXQXAFFUKWOVGG-UHFFFAOYSA-N;137.18;0.35;;;;;DOPC;MDCG;27;1;"MARTINI bead: SN0_SP1";;;;;;;0.34;;-3.27;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM457831;MM457831;O=CC1CNC2(C=O)CC12;RLEHIJFMLNACNX-UHFFFAOYSA-N;139.15;-0.64;;;;;DOPC;MDCG;27;1;"MARTINI bead: SP2_SP1";;;;;;;-1.06;;-4.92;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM457832;MM457832;C=CCNN=CC#CC#N;OIKJCYXLXGFRGG-UHFFFAOYSA-N;133.15;0.27;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nd_N0";;;;;;;1.17;;-1.04;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM457833;MM457833;C=CC#CC=NOCC=C;IZZIPIHRKVBBIG-UHFFFAOYSA-N;135.17;1.36;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_C4";;;;;;;2.2;;0.34;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM457834;MM457834;C#CC#CCNN=CC;DVIZVXFUQFOCND-UHFFFAOYSA-N;120.16;0.22;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nd_N0";;;;;;;1.17;;-1.04;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM457835;MM457835;C=CCON=CC#CC=O;AAMCVGOQGDXLMU-UHFFFAOYSA-N;137.14;0.38;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_P1";;;;;;;0.81;;-0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM457836;MM457836;N#CC1CNC2(C#N)CC12;AVPPDZBTFFTERD-UHFFFAOYSA-N;133.15;0.01;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP1_SP1";;;;;;;-0.79;;-3.13;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM457837;MM457837;C=CCON=CC#CC#N;GKGRIVRIXBDWBZ-UHFFFAOYSA-N;134.14;0.7;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_N0";;;;;;;1.17;;-1.18;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM457838;MM457838;C=CC1COC2(C=C)CC12;WGMXJDQHJPDSPY-UHFFFAOYSA-N;136.19;1.76;;;;;DOPC;MDCG;27;0;"MARTINI bead: SN0_SNa";;;;;;;1.17;;-1.18;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM457839;MM457839;C=CC(N)=CC(=O)N(C)C;LWVCHQKFZDCYLX-UHFFFAOYSA-N;140.19;0.1;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_N0";;;;;;;0.06;;-2.21;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM457840;MM457840;C=CC12CC1C(C=O)CO2;PVDFLJZTSVOMCZ-UHFFFAOYSA-N;138.17;0.78;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNa_SP1";;;;;;;0.04;;-2.54;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM457841;MM457841;C=CC#CC=NOCC#N;JOXPHVNHECQZII-UHFFFAOYSA-N;134.14;0.7;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4_P2";;;;;;;1.09;;-0.38;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM457842;MM457842;C=CC12CC1C(C#N)CO2;OOSFLWHIOOBUNF-UHFFFAOYSA-N;135.17;1.1;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNa_SP1";;;;;;;0.04;;-2.54;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM457843;MM457843;CN(C)C=NOC(=N)NN;HWANGMBLHVIJAI-UHFFFAOYSA-N;145.17;-1.09;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_P2";;;;;;;-1.06;;-3.82;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM457844;MM457844;C=CC1COC2(C=O)CC12;REDRSCSBQKPJSW-UHFFFAOYSA-N;138.17;0.78;;;;;DOPC;MDCG;27;0;"MARTINI bead: SN0_SNa";;;;;;;1.17;;-1.18;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM457845;MM457845;N#CCON=CC#CC=O;WKNNPSZCHHAZRF-UHFFFAOYSA-N;136.11;-0.29;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_P2";;;;;;;0.54;;-1.09;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM457846;MM457846;C=CC1COC2(C#N)CC12;OFWQQVORJZSIBW-UHFFFAOYSA-N;135.17;1.1;;;;;DOPC;MDCG;27;0;"MARTINI bead: SN0_SNa";;;;;;;1.17;;-1.18;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM457847;MM457847;CON=C(C)CC=CC=O;UBVPEVOQBANXON-UHFFFAOYSA-N;141.17;1.15;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_Na";;;;;;;0.87;;-2.22;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM457848;MM457848;O=CC1COC2(C=O)CC12;VQRYJCVOKKYZNA-UHFFFAOYSA-N;140.14;-0.21;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP1_SNa";;;;;;;0.04;;-2.54;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM457849;MM457849;N#CC1COC2(C=O)CC12;PCDWUAJKMWUUDO-UHFFFAOYSA-N;137.14;0.11;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP2_SP1";;;;;;;-1.06;;-3.82;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM457850;MM457850;C#CC#CC=CCCC=C;GEMUQVLYZKMYIY-UHFFFAOYSA-N;130.19;2.15;;;;;DOPC;MDCG;27;0;"MARTINI bead: C3_C4";;;;;;;3.9;;0.47;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM457851;MM457851;N#CC12CC1C(C=O)CO2;UGZDFDNHTDNBDS-UHFFFAOYSA-N;137.14;0.11;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP1_SNa";;;;;;;0.04;;-2.54;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM457852;MM457852;C#CC#CC=CCCC=O;UIUGCZSXSBGURG-UHFFFAOYSA-N;132.16;1.16;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_C2";;;;;;;2.83;;0.35;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM457853;MM457853;N#CC1COC2(C#N)CC12;KKOOJWXBQLRFNR-UHFFFAOYSA-N;134.14;0.44;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP1_SNa";;;;;;;0.04;;-2.54;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM457854;MM457854;C#CC#CC=CCCC#N;KAVCXVSAXKQXFY-UHFFFAOYSA-N;129.16;1.48;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4_P1";;;;;;;1.37;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM457855;MM457855;C=CC12CCN(C=N)C1C2;VTWRQTKYWPPNIS-UHFFFAOYSA-N;136.2;1.24;;;;;DOPC;MDCG;27;1;"MARTINI bead: SP1_SP1";;;;;;;-0.79;;-6.85;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM457856;MM457856;C#CC#CC=CCNC=N;PECJPWYOQQUQEA-UHFFFAOYSA-N;132.17;0.38;;;;;DOPC;MDCG;27;1;"MARTINI bead: P3_C2";;;;;;;0.86;;-3.96;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM457857;MM457857;C=CC12CCN(C=O)C1C2;RSQDRJMCKWNQLY-UHFFFAOYSA-N;137.18;0.79;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP1_SP1";;;;;;;-0.79;;-3.13;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM457858;MM457858;C#CC#CC=CCNC=O;LSVQUFKOSQYJCR-UHFFFAOYSA-N;133.15;-0.07;;;;;DOPC;MDCG;27;0;"MARTINI bead: P3_C2";;;;;;;0.86;;-0.3;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM457859;MM457859;C=CC12CCN(N=C)C1C2;KQLDYDSXXSZAKW-UHFFFAOYSA-N;136.2;1.25;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP1_SP1";;;;;;;-0.79;;-3.13;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM457860;MM457860;C#CC#CC=CCNN=C;HPNCSOKVEFFTGN-UHFFFAOYSA-N;132.17;0.38;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_C4";;;;;;;1.09;;-0.38;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM457861;MM457861;C=NN1CCC2(C=O)CC12;DJQCEZDPUQZRKZ-UHFFFAOYSA-N;138.17;0.27;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP1_SP1";;;;;;;-0.79;;-3.13;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM457862;MM457862;C#CC#CC=CCOC=C;ARBPQJPVNSQNBN-UHFFFAOYSA-N;132.16;1.34;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_C4";;;;;;;2.97;;0.45;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM457863;MM457863;C=CC12CNN(C=N)C1C2;OXVYJZJPYXADIH-UHFFFAOYSA-N;137.19;0.36;;;;;DOPC;MDCG;27;1;"MARTINI bead: SP2_SP3";;;;;;;-2.2;;-7.16;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM457864;MM457864;C#CC#CC=CCOC=O;UZPFNLKJWSBEOH-UHFFFAOYSA-N;134.13;0.35;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_C4";;;;;;;2.2;;0.34;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM457865;MM457865;C=CC12CNN(C=O)C1C2;KCSJOMCXZHVXIQ-UHFFFAOYSA-N;138.17;-0.09;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP2_SP2";;;;;;;-1.34;;-4.31;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM457866;MM457866;C#CC#CC=CCON=C;QCZNMVMGDVCEFU-UHFFFAOYSA-N;133.15;0.81;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_C4";;;;;;;2.2;;0.34;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM457867;MM457867;N=CN1NCC2(C=O)CC12;QYZIKTYQHJFODW-UHFFFAOYSA-N;139.16;-0.63;;;;;DOPC;MDCG;27;1;"MARTINI bead: SP3_SP3";;;;;;;-3.07;;-8.05;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM457868;MM457868;C#CC#CC=COCC=C;NQLMNEMLSFWGHC-UHFFFAOYSA-N;132.16;1.34;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_C4";;;;;;;2.2;;0.34;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM457869;MM457869;C#CC(C)(CCF)NN=C;BLTJJMGIZUNECQ-UHFFFAOYSA-N;142.18;0.94;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nd_Na";;;;;;;0.87;;-1.88;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM457870;MM457870;C#CC#CC=COCC=O;NALOCBCNVQRNBD-UHFFFAOYSA-N;134.13;0.35;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_C4";;;;;;;1.37;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM457871;MM457871;C=CC12CNC(C#N)C1N2;ALPALBPHPZNSJA-UHFFFAOYSA-N;135.17;-0.62;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP2_SP1";;;;;;;-1.06;;-3.82;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM457872;MM457872;C#CC#CC=COCC#N;RXVMEESMFKFGCB-UHFFFAOYSA-N;131.13;0.68;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4_P1";;;;;;;1.37;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM457873;MM457873;C=CC1OCC2(C=O)NC12;UVYUOUAYRPIYLI-UHFFFAOYSA-N;139.15;-0.52;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNa_SP2";;;;;;;-0.24;;-3.24;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM457874;MM457874;C#CC#CC=NNCC=C;QDWHQKFONZCNJQ-UHFFFAOYSA-N;132.17;0.38;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_C4";;;;;;;1.09;;-0.38;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM457875;MM457875;C=CC12CCC(C=O)C1O2;RWIQIBQQEXUVNW-UHFFFAOYSA-N;138.17;0.92;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNa_SNa";;;;;;;0.87;;-2.22;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM457876;MM457876;C#CC#CC=NOCC#N;KBFPQFSHQBZUPU-UHFFFAOYSA-N;132.12;0.15;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4_P2";;;;;;;1.09;;-0.38;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM457877;MM457877;C#CCCC=CC#CCC;XIJWFRAXBMOSPZ-UHFFFAOYSA-N;132.21;2.37;;;;;DOPC;MDCG;27;0;"MARTINI bead: C2_C5";;;;;;;3.6;;0.34;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM457878;MM457878;C=CC12CCC(C#N)C1O2;CFCPIBNJFGFVOF-UHFFFAOYSA-N;135.17;1.24;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNa_SC5";;;;;;;1.64;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM457879;MM457879;C#CCOC=CC#CCC;NPAWQBNEPBFTMU-UHFFFAOYSA-N;134.18;1.56;;;;;DOPC;MDCG;27;0;"MARTINI bead: C3_Na";;;;;;;2.57;;0.45;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM457880;MM457880;C=CC1CCC2(C=O)OC12;MZMUEGBJCHAQMI-UHFFFAOYSA-N;138.17;0.92;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC2_SNa";;;;;;;2.83;;0.35;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM457881;MM457881;O=CC1CCC2(C=O)OC12;CUCPLALODNVXSP-UHFFFAOYSA-N;140.14;-0.07;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNa_SNa";;;;;;;0.87;;-2.22;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM457882;MM457882;C#CCOC=CC#CCN;BBDRKQNDUVMFDE-UHFFFAOYSA-N;135.17;0.11;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_Na";;;;;;;0.87;;-3.2;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM457883;MM457883;C=CC1OCC2(C=O)OC12;LSBARNASTVOLBC-UHFFFAOYSA-N;140.14;-0.09;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNa_SP1";;;;;;;0.04;;-2.54;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM457884;MM457884;C#CCOC=CC#CCO;CBLRUWQCOWQJAY-UHFFFAOYSA-N;136.15;0.15;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda_Na";;;;;;;0.87;;-1.99;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM457885;MM457885;N#CC1OCC2(C=O)OC12;PLODLPNYJLHFEH-UHFFFAOYSA-N;139.11;-0.75;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP1_SNa";;;;;;;0.04;;-2.54;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM457886;MM457886;C#CCOC=CC#CCF;BHVHVLUFTIOCSI-UHFFFAOYSA-N;138.14;1.12;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_Na";;;;;;;1.64;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM457887;MM457887;C=CC(C)(NN=C)C(=C)F;ZQQPGHZCQHDOTQ-UHFFFAOYSA-N;142.18;1.62;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1_P1";;;;;;;2.08;;0.48;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM457888;MM457888;C#CCON=CC#CCC;XWBFBNGENGQCPX-UHFFFAOYSA-N;135.17;1.04;;;;;DOPC;MDCG;27;0;"MARTINI bead: C3_Na";;;;;;;2.57;;0.45;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM457889;MM457889;C=CC12CCC(C#N)N1C2;IANHBKYTUKHEHS-UHFFFAOYSA-N;134.18;0.91;;;;;DOPC;MDCG;27;0;"MARTINI bead: SN0_SP1";;;;;;;0.34;;-1.53;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM457890;MM457890;C#CCON=CC#CCF;ZPPCYTRDCCUBOP-UHFFFAOYSA-N;139.13;0.59;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_Na";;;;;;;0.87;;-2.22;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM457891;MM457891;C=CC1CCC2(C=O)CN12;DPZJNNYJKOOZKT-UHFFFAOYSA-N;137.18;0.59;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNd_SP1";;;;;;;0.04;;-2.63;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM457892;MM457892;C#CCCC=CC#CC=O;ICWKGUJSSQEEHM-UHFFFAOYSA-N;132.16;1.16;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_C3";;;;;;;1.74;;0.29;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM457893;MM457893;C#CCCC=CC#CC#N;LGKZMAZNRSOVEJ-UHFFFAOYSA-N;129.16;1.48;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_N0";;;;;;;1.94;;0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM457894;MM457894;CC(F)C=NN(C)CC#N;CWANZEIZDQNXGE-UHFFFAOYSA-N;143.17;0.79;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_P2";;;;;;;0.54;;-1.09;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM457895;MM457895;N#CC1CCC2(C=O)CN12;KPZRRAUQVUMEMG-UHFFFAOYSA-N;136.15;-0.07;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP1_SP1";;;;;;;-0.79;;-3.13;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM457896;MM457896;C#CCOC=CC#CC=C;HZVGPZGSOZDKEN-UHFFFAOYSA-N;132.16;1.34;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4_Na";;;;;;;2.2;;0.34;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM457897;MM457897;C=CC12CCN(C=N)N1C2;AFNSACLYWFJFOC-UHFFFAOYSA-N;137.19;0.45;;;;;DOPC;MDCG;27;1;"MARTINI bead: SP2_SP3";;;;;;;-2.2;;-7.44;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM457898;MM457898;C#CCOC=CC#CC=O;MFUIGBIHDXUWAS-UHFFFAOYSA-N;134.13;0.35;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_Na";;;;;;;1.64;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM457899;MM457899;C=CC12CCN(C=O)N1C2;TVXWBJNVJJGJDO-UHFFFAOYSA-N;138.17;;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP2_SP2";;;;;;;-1.34;;-4.31;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM457900;MM457900;C#CCON=CC#CC=C;KLLRVURNTHAPND-UHFFFAOYSA-N;133.15;0.81;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4_Na";;;;;;;2.2;;0.34;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM457901;MM457901;N=CN1CCC2(C=O)CN12;TTYUJSRVEHCWTQ-UHFFFAOYSA-N;139.16;-0.53;;;;;DOPC;MDCG;27;1;"MARTINI bead: SP3_SP2";;;;;;;-2.2;;-7.41;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM457902;MM457902;C#CCON=CC#CC#N;GODHWEGYLXDAPE-UHFFFAOYSA-N;132.12;0.15;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_N0";;;;;;;1.17;;-1.18;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM457903;MM457903;C#CC#CC=CCCC#C;NYUCEGJIMZPRFN-UHFFFAOYSA-N;128.17;1.59;;;;;DOPC;MDCG;27;0;"MARTINI bead: C3_C4";;;;;;;3.9;;0.47;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM457904;MM457904;O=CN1CCC2(C=O)CN12;HRUVGBJUNIRVKY-UHFFFAOYSA-N;140.14;-0.98;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP2_SP2";;;;;;;-1.34;;-4.31;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM457905;MM457905;C#CC#CC=COCC#C;TZKPFGVSKUXFFV-UHFFFAOYSA-N;130.15;0.79;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_C4";;;;;;;2.2;;0.34;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM457906;MM457906;C#CC1CCC2(C=C)CC12;JAVKLUVXHVQGJY-UHFFFAOYSA-N;132.21;2.22;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC4_SC4";;;;;;;3.53;;0.53;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM457907;MM457907;CC=CCC=CC#CCC;XWRGVDOPMBXHOB-UHFFFAOYSA-N;134.22;2.92;;;;;DOPC;MDCG;27;0;"MARTINI bead: C2_C2";;;;;;;4.78;;0.59;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM457908;MM457908;C#CC1CCC2(C#N)CC12;BSBVLQDTUAEIEH-UHFFFAOYSA-N;131.18;1.56;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC4_SC5";;;;;;;2.97;;0.45;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM457909;MM457909;CC=CCC=CC#CCN;CMDZKPUHYYVYFX-UHFFFAOYSA-N;135.21;1.47;;;;;DOPC;MDCG;27;1;"MARTINI bead: C1_P2";;;;;;;1.8;;-0.3;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM457910;MM457910;C#CC1NCC2(C=C)CC12;CYIUGADHICQRRY-UHFFFAOYSA-N;133.19;0.78;;;;;DOPC;MDCG;27;1;"MARTINI bead: SP1_SNd";;;;;;;0.04;;-5.02;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM457911;MM457911;CC=CCC=CC#CCO;CWBGCDBQJHKLGK-UHFFFAOYSA-N;136.19;1.5;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1_P2";;;;;;;1.8;;0.4;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM457912;MM457912;C#CC1NCC2(C=O)CC12;FWKGRGQLIBFLIM-UHFFFAOYSA-N;135.17;-0.2;;;;;DOPC;MDCG;27;1;"MARTINI bead: SP2_SNd";;;;;;;-0.24;;-5.16;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM457913;MM457913;CC=CCC=CC#CCF;VEVCCLFPPUJHBM-UHFFFAOYSA-N;138.19;2.48;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1_Na";;;;;;;2.91;;0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM457914;MM457914;C#CC1OCC2(C=C)CC12;AKJAYKGVTQXGKW-UHFFFAOYSA-N;134.18;1.21;;;;;DOPC;MDCG;27;0;"MARTINI bead: SN0_SNa";;;;;;;1.17;;-1.18;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM457915;MM457915;CCC#CC=CCC=CF;CYAXCRQBGZMYQE-UHFFFAOYSA-N;138.19;2.83;;;;;DOPC;MDCG;27;0;"MARTINI bead: C2_C4";;;;;;;4.16;;0.44;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM457916;MM457916;C#CC1OCC2(C=O)CC12;MNSYJTJMASCPIM-UHFFFAOYSA-N;136.15;0.22;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP1_SNa";;;;;;;0.04;;-2.54;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM457917;MM457917;CCC#CC=CCC=NN;HBBDIGLLQNHADF-UHFFFAOYSA-N;136.2;1.29;;;;;DOPC;MDCG;27;0;"MARTINI bead: C3_Nd";;;;;;;2.57;;0.53;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM457918;MM457918;C#CC1OCC2(C#N)CC12;LSGSPFPPZREIQV-UHFFFAOYSA-N;133.15;0.55;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNa_SP1";;;;;;;0.04;;-2.54;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM457919;MM457919;CCC#CC=CCC=NO;UCXWBIXQKRWYRK-UHFFFAOYSA-N;137.18;1.81;;;;;DOPC;MDCG;27;0;"MARTINI bead: C3_Nda";;;;;;;2.57;;0.44;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM457920;MM457920;C#CC1CNC2(C=C)CC12;PWVBQAGVFBVVFC-UHFFFAOYSA-N;133.19;0.78;;;;;DOPC;MDCG;27;1;"MARTINI bead: SNd_SP1";;;;;;;0.04;;-5.15;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM457921;MM457921;CCC#CC=CN=CNC;RJXBZGRPGKGMOI-UHFFFAOYSA-N;136.2;1.16;;;;;DOPC;MDCG;27;1;"MARTINI bead: C4_P1";;;;;;;1.37;;-3.04;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM457922;MM457922;C#CC1CNC2(C=O)CC12;QQRMKSAFPAIYRO-UHFFFAOYSA-N;135.17;-0.2;;;;;DOPC;MDCG;27;1;"MARTINI bead: SP2_SP1";;;;;;;-1.06;;-5.09;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM457923;MM457923;CN=CNC=CC#CCN;FOPQVMHKOMNHTD-UHFFFAOYSA-N;137.19;-0.29;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1_Nd";;;;;;;0.04;;-5.37;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM457924;MM457924;C#CC1CNC2(C#N)CC12;ICQSTRULURLTHB-UHFFFAOYSA-N;132.17;0.12;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP1_SP1";;;;;;;-0.79;;-3.13;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM457925;MM457925;CCC#CC=CN=CNN;POJSKYCJPFIVRU-UHFFFAOYSA-N;137.19;0.41;;;;;DOPC;MDCG;27;1;"MARTINI bead: C2_P4";;;;;;;0.77;;-2.16;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM457926;MM457926;C#CC1COC2(C=C)CC12;OSRDOQOKACJUDR-UHFFFAOYSA-N;134.18;1.21;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNa_SN0";;;;;;;1.17;;-1.18;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM457927;MM457927;C#CC(C)=NOC(=N)NN;STSBMCKAFCTVQH-UHFFFAOYSA-N;140.15;-0.59;;;;;DOPC;MDCG;27;0;"MARTINI bead: P3_C5";;;;;;;-0.33;;-2.01;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM457928;MM457928;C#CC1COC2(C=O)CC12;CCCNBLKTNIOZNR-UHFFFAOYSA-N;136.15;0.22;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP2_SN0";;;;;;;0.06;;-2.21;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM457929;MM457929;CC=COC=CC#CCC;PIJYEPITPIVUFO-UHFFFAOYSA-N;136.19;2.46;;;;;DOPC;MDCG;27;0;"MARTINI bead: C3_C5";;;;;;;3.34;;0.48;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM457930;MM457930;C#CC1COC2(C#N)CC12;YZPCOOOYJWPBIB-UHFFFAOYSA-N;133.15;0.55;;;;;DOPC;MDCG;27;0;"MARTINI bead: SN0_SNa";;;;;;;1.17;;-1.18;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM457931;MM457931;CC=COC=CC#CCN;RCUICTAECYYESN-UHFFFAOYSA-N;137.18;1.01;;;;;DOPC;MDCG;27;1;"MARTINI bead: C5_Nd";;;;;;;1.64;;-1.21;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM457932;MM457932;C#CC1CCC2(C=C)NC12;CSEOYZWRDRCOPT-UHFFFAOYSA-N;133.19;0.93;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNd_SC4";;;;;;;2.2;;0.35;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM457933;MM457933;CC=COC=CC#CCO;CMPJMSIVSAGAJX-UHFFFAOYSA-N;138.17;1.05;;;;;DOPC;MDCG;27;0;"MARTINI bead: C3_P2";;;;;;;1.46;;-0.15;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM457934;MM457934;C#CC1CCC2(C=O)NC12;RMCKKVCZLASLGG-UHFFFAOYSA-N;135.17;-0.06;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP1_SC4";;;;;;;1.37;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM457935;MM457935;CC=COC=CC#CCF;UAZWAXFWCAZVTF-UHFFFAOYSA-N;140.16;2.02;;;;;DOPC;MDCG;27;0;"MARTINI bead: C3_Na";;;;;;;2.57;;0.45;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM457936;MM457936;C#CC1CCC2(C=C)OC12;XJAQZMRJVKTPSP-UHFFFAOYSA-N;134.18;1.35;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNa_SC4";;;;;;;2.2;;0.34;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM457937;MM457937;CCC#CC=COC=CF;QQEVSCCDNQFJIK-UHFFFAOYSA-N;140.16;2.37;;;;;DOPC;MDCG;27;0;"MARTINI bead: C2_Na";;;;;;;2.83;;0.35;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM457938;MM457938;C#CC1CCC2(C=O)OC12;WXIJPBSWVODQLZ-UHFFFAOYSA-N;136.15;0.37;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNa_SC4";;;;;;;2.2;;0.34;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM457939;MM457939;NCC#CC=COC=CF;XOMIDTAVNONUML-UHFFFAOYSA-N;141.15;0.92;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_Na";;;;;;;0.87;;-3.19;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM457940;MM457940;C#CC1CCC2(C=C)CN12;XKFIZTRWHLJELF-UHFFFAOYSA-N;133.19;1.02;;;;;DOPC;MDCG;27;0;"MARTINI bead: SN0_SNd";;;;;;;1.17;;-1.04;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM457941;MM457941;OCC#CC=COC=CF;JJUGNNFLIMADGP-UHFFFAOYSA-N;142.13;0.95;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda_N0";;;;;;;1.17;;-1.13;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM457942;MM457942;C#CC1CCC2(C=O)CN12;UPPMAEYZZDVDHT-UHFFFAOYSA-N;135.17;0.04;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP1_SNd";;;;;;;0.04;;-2.63;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM457943;MM457943;FC=COC=CC#CCF;SAOQYDJEBIHEKF-UHFFFAOYSA-N;144.12;1.93;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_C5";;;;;;;1.64;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM457944;MM457944;C#CC12CCC(OC)C1C2;XDAUGCRCCHSXND-UHFFFAOYSA-N;136.19;1.43;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC5_SC4";;;;;;;2.97;;0.45;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM457945;MM457945;C=CC#CC(F)C=NNC;PVXBCUHYMZTLJJ-UHFFFAOYSA-N;140.16;0.72;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_C4";;;;;;;1.09;;-0.38;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM457946;MM457946;C#CC12CNC(CC)C1C2;GHCWGQIMJOEFHT-UHFFFAOYSA-N;135.21;1.01;;;;;DOPC;MDCG;27;1;"MARTINI bead: SNd_SP1";;;;;;;0.04;;-6.12;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM457947;MM457947;C=NNCC(=N)N(C)C=O;UKXSRYNIAPAGEJ-UHFFFAOYSA-N;142.16;-0.74;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_P1";;;;;;;-1.06;;-3.82;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM457948;MM457948;C#CC12CNC(CN)C1C2;COMZFSMKNDLTKJ-UHFFFAOYSA-N;136.2;-0.44;;;;;DOPC;MDCG;27;1;"MARTINI bead: SP1_SP1";;;;;;;-0.79;;-6.11;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM457949;MM457949;CCC#CC=COC=NO;FTHVWXMIYHJGPU-UHFFFAOYSA-N;139.15;1.35;;;;;DOPC;MDCG;27;0;"MARTINI bead: C3_P2";;;;;;;1.46;;-0.15;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM457950;MM457950;C#CC12CNC(CO)C1C2;VTGDRJINXRGPCT-UHFFFAOYSA-N;137.18;-0.41;;;;;DOPC;MDCG;27;1;"MARTINI bead: SP1_SP1";;;;;;;-0.79;;-5.91;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM457951;MM457951;ON=COC=CC#CCF;HBOGFLSOGODISD-UHFFFAOYSA-N;143.12;0.91;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda_Na";;;;;;;0.87;;-1.99;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM457952;MM457952;C#CC12COC(CC)C1C2;CYVRZSRNBLBQDV-UHFFFAOYSA-N;136.19;1.43;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC5_SN0";;;;;;;1.94;;0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM457953;MM457953;C=C(C=O)N=CNOC=O;QCAABIWLNGBSKZ-UHFFFAOYSA-N;142.11;-0.6;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_P2";;;;;;;-0.24;;-3.24;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM457954;MM457954;C#CC12COC(CN)C1C2;WONMDIWUSKAQQU-UHFFFAOYSA-N;137.18;-0.02;;;;;DOPC;MDCG;27;1;"MARTINI bead: SP1_SN0";;;;;;;0.34;;-3.6;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM457955;MM457955;C=NOCC#CC(=O)OC;GZZQRNXGINUEPE-UHFFFAOYSA-N;141.13;-0.21;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_P1";;;;;;;0.81;;-0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM457956;MM457956;C#CC12CC1C(CC)CN2;GMMCKSMROXNPOP-UHFFFAOYSA-N;135.21;1.01;;;;;DOPC;MDCG;27;1;"MARTINI bead: SN0_SNd";;;;;;;1.17;;-3.58;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM457957;MM457957;Cn1nnn(N)c(=O)c1=N;GCNLJNXKTZKHGV-UHFFFAOYSA-N;142.12;-2.83;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP3_SP3";;;;;;;-3.07;;-6.15;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM457958;MM457958;C#CC12CC1C(CN)CN2;JEILMISVBCJWPE-UHFFFAOYSA-N;136.2;-0.44;;;;;DOPC;MDCG;27;1;"MARTINI bead: SP2_SNd";;;;;;;-0.24;;-5.79;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM457959;MM457959;N=c1c(=O)n(N)nnn1N;CFLUOKKHOJRRKT-UHFFFAOYSA-N;143.11;-3.65;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP3_SP3";;;;;;;-3.07;;-6.15;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM457960;MM457960;C#CC12CC1C(CO)CN2;CILDKYVDWPFIOG-UHFFFAOYSA-N;137.18;-0.41;;;;;DOPC;MDCG;27;1;"MARTINI bead: SP1_SNd";;;;;;;0.04;;-4.65;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM457961;MM457961;Nc1cnc(=O)n(N)c1F;NBGKEIVUKZXENX-UHFFFAOYSA-N;144.11;-1.32;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP1_SP2";;;;;;;-1.06;;-3.82;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM457962;MM457962;C#CC12CC1C(CF)CN2;IWULPRMHCPXLBH-UHFFFAOYSA-N;139.17;0.57;;;;;DOPC;MDCG;27;1;"MARTINI bead: SNa_SNd";;;;;;;0.87;;-4.04;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM457963;MM457963;C#CC12CC1C(NC)CN2;UDMLSVYTOGPMRU-UHFFFAOYSA-N;136.2;-0.43;;;;;DOPC;MDCG;27;1;"MARTINI bead: SP1_SNd";;;;;;;0.04;;-4.89;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM457964;MM457964;CCC#CC=NOC=NO;ZBFAQLXSOHGPPW-UHFFFAOYSA-N;140.14;0.82;;;;;DOPC;MDCG;27;0;"MARTINI bead: C3_P2";;;;;;;1.46;;-0.14;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM457965;MM457965;C=CC#CC=CCC=CC;CRYKOJNBNNWURL-UHFFFAOYSA-N;132.21;2.7;;;;;DOPC;MDCG;27;0;"MARTINI bead: C2_C4";;;;;;;4.16;;0.44;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM457966;MM457966;C#CC12CC1C(OC)CN2;OWBPNOXHFBPDRB-UHFFFAOYSA-N;137.18;;;;;;DOPC;MDCG;27;1;"MARTINI bead: SP1_SNd";;;;;;;0.04;;-4.24;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM457967;MM457967;C#CC12CC1C(CC)CO2;ABMQTWFWIKLWTP-UHFFFAOYSA-N;136.19;1.43;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC5_SNa";;;;;;;1.64;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM457968;MM457968;CC=CCC=CC#CC=O;PSZNAEWRPQUFEM-UHFFFAOYSA-N;134.18;1.71;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1_P1";;;;;;;2.08;;0.48;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM457969;MM457969;C#CC12CC1C(CN)CO2;JBZYJHHAAPRJOY-UHFFFAOYSA-N;137.18;-0.02;;;;;DOPC;MDCG;27;1;"MARTINI bead: SP1_SNa";;;;;;;0.04;;-5.26;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM457970;MM457970;CC=CCC=CC#CC#N;UXWZCWNBKBVTOW-UHFFFAOYSA-N;131.18;2.04;;;;;DOPC;MDCG;27;0;"MARTINI bead: C2_N0";;;;;;;3.13;;0.3;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM457971;MM457971;C#CC12CC1C(CO)CO2;NSWOJGBVPYDCQR-UHFFFAOYSA-N;138.17;0.02;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP1_SNa";;;;;;;0.04;;-2.54;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM457972;MM457972;C=CC#CC=CCC=CF;ABQLAUGOLCZTLT-UHFFFAOYSA-N;136.17;2.61;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4_C4";;;;;;;3.53;;0.53;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM457973;MM457973;C#CC12CC1C(CF)CO2;ARFCVAFANJJRMQ-UHFFFAOYSA-N;140.16;0.99;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNa_SNa";;;;;;;0.87;;-2.22;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM457974;MM457974;N#CC#CC=CCC=CF;MDYZHQFKIKWVEL-UHFFFAOYSA-N;135.14;1.94;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_C5";;;;;;;2.41;;0.64;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM457975;MM457975;C#CC12CC1C(NC)CO2;XQKXFGBTMJRCEW-UHFFFAOYSA-N;137.18;;;;;;DOPC;MDCG;27;1;"MARTINI bead: SP1_SNa";;;;;;;0.04;;-4.81;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM457976;MM457976;C=CC#CC=CCC=NN;JYPJXWDDPAZNRM-UHFFFAOYSA-N;134.18;1.07;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nd_C4";;;;;;;2.2;;0.32;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM457977;MM457977;C#CC12CC1C(OC)CO2;RVEYLMAYWASWRE-UHFFFAOYSA-N;138.17;0.42;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNa_SNa";;;;;;;0.87;;-2.22;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM457978;MM457978;C=CC#CC=CNC=NC;NXXZDYBLMCGUIB-UHFFFAOYSA-N;134.18;0.94;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1_C4";;;;;;;1.37;;-2.65;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM457979;MM457979;C#CC12CCN(CC)C1C2;XUSQAFNATVFOJZ-UHFFFAOYSA-N;135.21;1.1;;;;;DOPC;MDCG;27;1;"MARTINI bead: SNd_SN0";;;;;;;1.17;;-3.18;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM457980;MM457980;C=CN(C=O)NC=NOC;SMNWBSLLXIMLDG-UHFFFAOYSA-N;143.15;-0.32;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_P2";;;;;;;-1.06;;-3.82;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM457981;MM457981;C#CC12CCC(C=C)C1C2;PKSVYZDUEOKADN-UHFFFAOYSA-N;132.21;2.22;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC2_SC4";;;;;;;4.16;;0.44;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM457982;MM457982;N#CC#CC=CNC=NO;GRIFIJTYFKEIMZ-UHFFFAOYSA-N;135.13;0.03;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_N0";;;;;;;0.06;;-2.21;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM457983;MM457983;C#CC12CNC(C#N)C1C2;FYDMEWZLRNLPJL-UHFFFAOYSA-N;132.17;0.12;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP1_SP1";;;;;;;-0.79;;-3.13;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM457984;MM457984;C=CC#CC=COC=CC;BWSMYRDVQBDEFN-UHFFFAOYSA-N;134.18;2.24;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_C4";;;;;;;2.97;;0.45;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM457985;MM457985;C#CC12COC(C=C)C1C2;MATHGAOMEXNXJC-UHFFFAOYSA-N;134.18;1.21;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNa_SN0";;;;;;;1.17;;-1.18;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM457986;MM457986;CC=COC=CC#CC=O;ARCRMEGWCHTGMC-UHFFFAOYSA-N;136.15;1.25;;;;;DOPC;MDCG;27;0;"MARTINI bead: C3_P1";;;;;;;1.74;;0.29;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM457987;MM457987;C#CC12COC(C=O)C1C2;RXFPGEDQDNYXSD-UHFFFAOYSA-N;136.15;0.22;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP1_SN0";;;;;;;0.34;;-1.53;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM457988;MM457988;CC=COC=CC#CC#N;OAXISVVCULBORV-UHFFFAOYSA-N;133.15;1.58;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_N0";;;;;;;1.17;;-1.18;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM457989;MM457989;C#CC12COC(C#N)C1C2;QOSNMFTXAVMWFE-UHFFFAOYSA-N;133.15;0.55;;;;;DOPC;MDCG;27;0;"MARTINI bead: SN0_SNa";;;;;;;1.17;;-1.18;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM457990;MM457990;C=CC#CC=COC=CF;LUOWNBWKQPPEDE-UHFFFAOYSA-N;138.14;2.15;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_C4";;;;;;;2.2;;0.34;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM457991;MM457991;C#CC12CC1C(C=C)CN2;PLOUMLFHZOQEKA-UHFFFAOYSA-N;133.19;0.78;;;;;DOPC;MDCG;27;1;"MARTINI bead: SN0_SNd";;;;;;;1.17;;-3.49;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM457992;MM457992;O=CC#CC=COC=CF;MDCQQHOEGWAIKM-UHFFFAOYSA-N;140.11;1.16;;;;;DOPC;MDCG;27;0;"MARTINI bead: N0_C5";;;;;;;1.94;;0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM457993;MM457993;C#CC12CC1C(C=O)CN2;XAIIGRZXYHHIJU-UHFFFAOYSA-N;135.17;-0.2;;;;;DOPC;MDCG;27;1;"MARTINI bead: SP2_SNd";;;;;;;-0.24;;-4.96;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM457994;MM457994;N#CC#CC=COC=CF;IOUJTNUEUAOBHI-UHFFFAOYSA-N;137.11;1.48;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_N0";;;;;;;1.17;;-1.18;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM457995;MM457995;C#CC12CC1C(C=C)CO2;QEESYDXJPDIOGU-UHFFFAOYSA-N;134.18;1.21;;;;;DOPC;MDCG;27;0;"MARTINI bead: SN0_SNa";;;;;;;1.17;;-1.18;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM457996;MM457996;CC=NNC=C(C#N)OC;VXZMRFMWQSKCDY-UHFFFAOYSA-N;139.16;0.59;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_Nd";;;;;;;0.87;;-1.88;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM457997;MM457997;C#CC12CC1C(C=O)CO2;ZBKDVUBCTLHZLP-UHFFFAOYSA-N;136.15;0.22;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP1_SNa";;;;;;;0.04;;-2.54;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM457998;MM457998;C=CC#CC=COC=NO;BJKFEFJWXJKYHK-UHFFFAOYSA-N;137.14;1.12;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_C4";;;;;;;1.09;;-0.37;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM457999;MM457999;O=CC#CC=COC=NO;XNCBNWVARWFWPH-UHFFFAOYSA-N;139.11;0.14;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_C5";;;;;;;0.54;;-1.09;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM458000;MM458000;C#CC12CC1C(C#N)CO2;LLOVBDWCUBUDAP-UHFFFAOYSA-N;133.15;0.55;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP1_SP1";;;;;;;-0.79;;-3.13;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM458001;MM458001;C#CCC1=NNC(C#C)C1;IFSIRHSKDDFKJK-UHFFFAOYSA-N;132.17;0.36;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP1_SP1";;;;;;;-0.79;;-3.13;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM458002;MM458002;C#CC1OCC2(C#C)CC12;XKKIDKNXVUFPRU-UHFFFAOYSA-N;132.16;0.66;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNa_SN0";;;;;;;1.17;;-1.18;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM458003;MM458003;C=CC12CC1N=C(C#N)N2;FJAOGRGJMFOAOF-UHFFFAOYSA-N;133.15;0.21;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC4_SP1";;;;;;;1.37;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM458004;MM458004;C#CC1CNC2(C#C)CC12;RYXNOOLCDNCSRT-UHFFFAOYSA-N;131.18;0.23;;;;;DOPC;MDCG;27;1;"MARTINI bead: SP1_SNd";;;;;;;0.04;;-4.62;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM458005;MM458005;C#CC#CC=CCC=CC;IALWNMPZSDZYME-UHFFFAOYSA-N;130.19;2.15;;;;;DOPC;MDCG;27;0;"MARTINI bead: C2_C4";;;;;;;4.16;;0.44;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM458006;MM458006;C#CC1COC2(C#C)CC12;MWBRNRUIZHWXBI-UHFFFAOYSA-N;132.16;0.66;;;;;DOPC;MDCG;27;0;"MARTINI bead: SN0_SNa";;;;;;;1.17;;-1.18;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM458007;MM458007;C#CC#CC=CCC=CF;KRPPGPZRNRGXQR-UHFFFAOYSA-N;134.15;2.05;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_C2";;;;;;;3.6;;0.34;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM458008;MM458008;CC=C1CCC2(CC)CC12;QOQCJGJVUFAYDS-UHFFFAOYSA-N;136.24;3.14;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC2_SC1";;;;;;;4.87;;0.53;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM458009;MM458009;C#CC#CC=CCC=NN;VFBCBWLOWBJFEY-UHFFFAOYSA-N;132.17;0.51;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nd_C4";;;;;;;2.2;;0.32;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM458010;MM458010;CCC12CCC(=CF)C1C2;QKGZXAVANYZPBX-UHFFFAOYSA-N;140.2;3.05;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC2_SC4";;;;;;;4.16;;0.44;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM458011;MM458011;C#CC#CC=CCC=NO;DMILSBWCAYSXAQ-UHFFFAOYSA-N;133.15;1.03;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_C4";;;;;;;1.37;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM458012;MM458012;CC=C1CCC2(CN)CC12;QZJMHIMXOJRZBM-UHFFFAOYSA-N;137.23;1.69;;;;;DOPC;MDCG;27;1;"MARTINI bead: SC1_SNd";;;;;;;2.91;;-0.28;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM458013;MM458013;C#CC#CC=CNC=NC;ZBCRZPSTZIYTEW-UHFFFAOYSA-N;132.17;0.38;;;;;DOPC;MDCG;27;1;"MARTINI bead: P2_C4";;;;;;;1.09;;-3.02;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM458014;MM458014;NCC12CCC(=CF)C1C2;MMFAVBCALBIHKC-UHFFFAOYSA-N;141.19;1.6;;;;;DOPC;MDCG;27;1;"MARTINI bead: SNd_SC4";;;;;;;2.2;;-1.91;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM458015;MM458015;C#CC#CC=COC=CC;FNDZTVZWSUJKSX-UHFFFAOYSA-N;132.16;1.69;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_C4";;;;;;;2.97;;0.45;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM458016;MM458016;C#CCN(C)N=CC(C)F;MSPXWAREIVDJLN-UHFFFAOYSA-N;142.18;0.9;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_P2";;;;;;;0.54;;-1.09;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM458017;MM458017;C#CC#CC=COC=CF;BABYLLGBIZNGQZ-UHFFFAOYSA-N;136.13;1.59;;;;;DOPC;MDCG;27;0;"MARTINI bead: N0_C4";;;;;;;2.5;;0.44;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM458018;MM458018;O=CC1=NC2(C=O)CC2N1;WTMCGZBREXIGMS-UHFFFAOYSA-N;138.13;-1.1;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP2_SP2";;;;;;;-1.34;;-4.31;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM458019;MM458019;CC(F)C=NN(C)C(C)C;RTBVOOJFQWSADY-UHFFFAOYSA-N;146.21;1.67;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_P1";;;;;;;0.81;;-0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM458020;MM458020;C#CC#CC=COC=NO;ZPGZIFSAJNPLFF-UHFFFAOYSA-N;135.12;0.57;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_C4";;;;;;;1.09;;-0.37;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM458021;MM458021;FC=C1CCC2(CF)CC12;KZMQSHJVPIYQQY-UHFFFAOYSA-N;144.16;2.61;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC5_SC4";;;;;;;2.97;;0.45;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM458022;MM458022;C=Nn1ncc(C#N)c1N;ASAVZIQGZFNHGA-UHFFFAOYSA-N;135.13;-0.2;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP1_SP1";;;;;;;-0.79;;-3.13;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM458023;MM458023;CCC12CCC(=NN)C1C2;FHIBNUGYMVKFJW-UHFFFAOYSA-N;138.21;1.51;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC2_SNd";;;;;;;2.83;;0.62;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM458024;MM458024;CC#CCC=CC#CCC;TVWBAGJRSQZRRV-UHFFFAOYSA-N;132.21;2.37;;;;;DOPC;MDCG;27;0;"MARTINI bead: C2_C4";;;;;;;4.16;;0.44;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM458025;MM458025;CCC12CCC(=NO)C1C2;WCTREUUUZUJFSO-UHFFFAOYSA-N;139.2;2.03;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC2_SNda";;;;;;;2.83;;0.57;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM458026;MM458026;CC#CCC=CC#CCN;TZHQXYQCRPSAJS-UHFFFAOYSA-N;133.19;0.92;;;;;DOPC;MDCG;27;1;"MARTINI bead: C4_Nd";;;;;;;2.2;;-0.8;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM458027;MM458027;NCC12CCC(=NO)C1C2;HNRLCZZHJBHSMS-UHFFFAOYSA-N;140.19;0.58;;;;;DOPC;MDCG;27;1;"MARTINI bead: SNd_SNda";;;;;;;0.87;;-4.33;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM458028;MM458028;CC#CCC=CC#CCO;KVGAOJCHRNRXOD-UHFFFAOYSA-N;134.18;0.95;;;;;DOPC;MDCG;27;0;"MARTINI bead: C3_Nda";;;;;;;2.57;;0.44;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM458029;MM458029;C=NOC(=N)NN(C)CC;IYDQMZVMEFJYRJ-UHFFFAOYSA-N;144.18;0.01;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_P3";;;;;;;-0.33;;-2.01;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM458030;MM458030;CC#CCC=CC#CCF;KFPRCBSEWPFTQY-UHFFFAOYSA-N;136.17;1.93;;;;;DOPC;MDCG;27;0;"MARTINI bead: C3_Na";;;;;;;2.57;;0.45;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM458031;MM458031;OCC12CCC(=NO)C1C2;HVZWKOUAOSUOIJ-UHFFFAOYSA-N;141.17;0.61;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNda_SNda";;;;;;;0.87;;-2.07;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM458032;MM458032;C=CC#CC=CCC#CC;CRHYSCDFBSTAOX-UHFFFAOYSA-N;130.19;2.15;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4_C4";;;;;;;3.53;;0.53;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM458033;MM458033;NN=C1CCC2(CF)CC12;YZIPXUDYLLUAOU-UHFFFAOYSA-N;142.18;1.07;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNd_SC5";;;;;;;1.64;;0.02;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM458034;MM458034;CC#CCC=CC#CC=O;WWSYGQRKNAGYJX-UHFFFAOYSA-N;132.16;1.16;;;;;DOPC;MDCG;27;0;"MARTINI bead: C3_P1";;;;;;;1.74;;0.29;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM458035;MM458035;CC=C1CCC2(NC)CC12;IJEZMDKIAGFDDP-UHFFFAOYSA-N;137.23;1.7;;;;;DOPC;MDCG;27;1;"MARTINI bead: SNd_SC1";;;;;;;2.91;;-0.57;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM458036;MM458036;CC#CCC=CC#CC#N;XRIOOYYBVXPMCG-UHFFFAOYSA-N;129.16;1.48;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4_N0";;;;;;;2.5;;0.44;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM458037;MM458037;CNC12CCC(=CF)C1C2;FIMUIZQYEIMMQE-UHFFFAOYSA-N;141.19;1.61;;;;;DOPC;MDCG;27;1;"MARTINI bead: SNd_SC4";;;;;;;2.2;;-2.22;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM458038;MM458038;C#CC#CC=CCC#CC;CNCBZWKGTBPZJI-UHFFFAOYSA-N;128.17;1.59;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4_C4";;;;;;;3.53;;0.53;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM458039;MM458039;CNC12CCC(=NN)C1C2;LCEPJUCATZYYNV-UHFFFAOYSA-N;139.2;0.07;;;;;DOPC;MDCG;27;1;"MARTINI bead: SNd_SNd";;;;;;;0.87;;-4.43;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM458040;MM458040;CCC=CC=CC=CCC;PGLBZIOZSCSSLD-UHFFFAOYSA-N;136.24;3.48;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1_C3";;;;;;;4.61;;0.31;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM458041;MM458041;CNC12CCC(=NO)C1C2;QCTCCXGMZICMNR-UHFFFAOYSA-N;140.19;0.59;;;;;DOPC;MDCG;27;1;"MARTINI bead: SNd_SNda";;;;;;;0.87;;-4.13;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM458042;MM458042;CCC=CC=CC=COC;IHOWRNFPMVYZIN-UHFFFAOYSA-N;138.21;2.67;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1_Na";;;;;;;2.91;;0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM458043;MM458043;CNN=CC=CC=COC;VQBUPFNDGHUDGU-UHFFFAOYSA-N;140.19;0.91;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nd_C5";;;;;;;1.64;;0.02;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM458044;MM458044;CC=C1CCC2(OC)CC12;PEJPZFXGWYLLGB-UHFFFAOYSA-N;138.21;2.13;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC5_SC1";;;;;;;3.68;;0.46;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM458045;MM458045;COC12CCC(=CF)C1C2;RQTDZWFKBBXVCE-UHFFFAOYSA-N;142.17;2.04;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC5_SC4";;;;;;;2.97;;0.45;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM458046;MM458046;CCC=CC=NN=CCC;TUDFPLHDABLEST-UHFFFAOYSA-N;138.21;2.42;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4_N0";;;;;;;2.5;;0.44;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM458047;MM458047;COC12CCC(=NN)C1C2;PZETWGAEQIGIRF-UHFFFAOYSA-N;140.19;0.5;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC5_SNd";;;;;;;1.64;;0.02;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM458048;MM458048;CCC=NN=CC=CCN;RKHVGVDHWYESCF-UHFFFAOYSA-N;139.2;0.97;;;;;DOPC;MDCG;27;1;"MARTINI bead: C4_P1";;;;;;;1.37;;-2.17;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM458049;MM458049;CCC=NN=CC=CCO;MUVTUTYFVIVEBA-UHFFFAOYSA-N;140.19;1;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4_Nda";;;;;;;2.2;;0.49;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM458050;MM458050;COC12CCC(=NO)C1C2;FQXRYVYNCDFPJM-UHFFFAOYSA-N;141.17;1.02;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC5_SNda";;;;;;;1.64;;0.05;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM458051;MM458051;CCC12CN=C(NC)C1C2;PLKYXRBMRQNHOO-UHFFFAOYSA-N;138.21;1.03;;;;;DOPC;MDCG;27;1;"MARTINI bead: SC5_SNd";;;;;;;1.64;;-3.99;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM458052;MM458052;CCC=NN=CC=CCF;FFBCYQVZFZVYJP-UHFFFAOYSA-N;142.18;1.98;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4_Na";;;;;;;2.2;;0.34;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM458053;MM458053;COC=NN=CC=CCO;XOWYEFWQTHTRJZ-UHFFFAOYSA-N;142.16;0.2;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_P1";;;;;;;0.81;;-0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM458054;MM458054;CCC12CN=C(NN)C1C2;LEYWDVXQGMQEGO-UHFFFAOYSA-N;139.2;0.28;;;;;DOPC;MDCG;27;1;"MARTINI bead: SC5_SNd";;;;;;;1.64;;-2.28;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM458055;MM458055;CCC12CN=C(NO)C1C2;WJRVNAOUOYOPNB-UHFFFAOYSA-N;140.19;0.79;;;;;DOPC;MDCG;27;1;"MARTINI bead: SC5_SNda";;;;;;;1.64;;-1.05;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM458056;MM458056;CN=CC=CNN=COC;CCEIDOUVIVVGSE-UHFFFAOYSA-N;141.17;0.38;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1_N0";;;;;;;0.34;;-5.18;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM458057;MM458057;CCC=NN=CC=COC;DBHBGGXITNLKHK-UHFFFAOYSA-N;140.19;1.61;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4_Na";;;;;;;2.2;;0.34;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM458058;MM458058;CN=C1NCC2(CN)CC12;PHXNKROLZIOICP-UHFFFAOYSA-N;139.2;-0.42;;;;;DOPC;MDCG;27;1;"MARTINI bead: SNd_SP2";;;;;;;-0.24;;-7.13;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM458059;MM458059;NCC12CN=C(NO)C1C2;CHCCJDFYGWPHFP-UHFFFAOYSA-N;141.17;-0.66;;;;;DOPC;MDCG;27;1;"MARTINI bead: SP1_SNda";;;;;;;0.04;;-4.62;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM458060;MM458060;COC=CC=NN=CCO;RUMWFXRBYMQJPJ-UHFFFAOYSA-N;142.16;0.2;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_Nda";;;;;;;0.87;;-1.99;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM458061;MM458061;CN=C1NCC2(CO)CC12;DQRVXCYTFCIXDN-UHFFFAOYSA-N;140.19;-0.38;;;;;DOPC;MDCG;27;1;"MARTINI bead: SNd_SP2";;;;;;;-0.24;;-7.1;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM458062;MM458062;COC=CC=NN=COC;HPCCYMSHZPAOHG-UHFFFAOYSA-N;142.16;0.81;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_Na";;;;;;;0.87;;-2.22;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM458063;MM458063;N=Cn1nnc(C=O)c1N;YTHCQPVKBVMHSD-UHFFFAOYSA-N;139.12;-0.87;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP1_SP2";;;;;;;-1.06;;-3.82;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM458064;MM458064;NN=C1NCC2(CO)CC12;DHXKWDREHMUTFL-UHFFFAOYSA-N;141.17;-1.14;;;;;DOPC;MDCG;27;1;"MARTINI bead: SNd_SP2";;;;;;;-0.24;;-4.86;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM458065;MM458065;CCC=NN=CC=NOC;LZHWZRCEJHENSP-UHFFFAOYSA-N;141.17;1.09;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4_P1";;;;;;;1.37;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM458066;MM458066;OCC12CN=C(NO)C1C2;GKIWDVSLDXJVAI-UHFFFAOYSA-N;142.16;-0.62;;;;;DOPC;MDCG;27;1;"MARTINI bead: SNda_SNda";;;;;;;0.87;;-3.13;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM458067;MM458067;CCC=CC=CC=CC=O;XHDSWFFUGPJMMN-UHFFFAOYSA-N;136.19;2.26;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1_Na";;;;;;;2.91;;0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM458068;MM458068;NN=C1NCC2(CF)CC12;GVSRTPDEMKUALC-UHFFFAOYSA-N;143.17;-0.16;;;;;DOPC;MDCG;27;1;"MARTINI bead: SNd_SNa";;;;;;;0.87;;-3.58;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM458069;MM458069;CCC=CC=CC=CC#N;FYKWNTLUBKWMRT-UHFFFAOYSA-N;133.19;2.59;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1_N0";;;;;;;3.21;;0.46;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM458070;MM458070;CN=C1NCC2(NC)CC12;GZQTZYKFGPGZTJ-UHFFFAOYSA-N;139.2;-0.4;;;;;DOPC;MDCG;27;1;"MARTINI bead: SP2_SNd";;;;;;;-0.24;;-6.6;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM458071;MM458071;CON=CC=CC=CC=O;VEAIQAWXRGYXHA-UHFFFAOYSA-N;139.15;0.93;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_Na";;;;;;;0.87;;-2.22;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM458072;MM458072;CNC12CN=C(NN)C1C2;ZPHRWRSTWNMMHR-UHFFFAOYSA-N;140.19;-1.16;;;;;DOPC;MDCG;27;1;"MARTINI bead: SP1_SNd";;;;;;;0.04;;-4.41;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM458073;MM458073;CON=CC=CC=CC#N;XZGAZFLUEZRCOP-UHFFFAOYSA-N;136.15;1.25;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_N0";;;;;;;1.17;;-1.18;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM458074;MM458074;CNC1=NCC2(OC)CC12;KXJWLJKJYDRTHL-UHFFFAOYSA-N;140.19;0.02;;;;;DOPC;MDCG;27;1;"MARTINI bead: SNd_SNa";;;;;;;0.87;;-4.82;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM458075;MM458075;C=NNC=CC=CN=NC;CMAZIMOPCASUMS-UHFFFAOYSA-N;138.17;1.3;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_Nd";;;;;;;1.64;;0.02;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM458076;MM458076;COC12CN=C(NN)C1C2;HMCIMKWGKHJQOG-UHFFFAOYSA-N;141.17;-0.73;;;;;DOPC;MDCG;27;1;"MARTINI bead: SNa_SNd";;;;;;;0.87;;-3.08;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM458077;MM458077;C=CC=NN=CC=CCC;VZYFJFGTRLKKKP-UHFFFAOYSA-N;136.2;2.2;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1_N0";;;;;;;3.21;;0.46;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM458078;MM458078;CC=C1OCC2(CC)CC12;WJLLKELVBGHUCC-UHFFFAOYSA-N;138.21;2.34;;;;;DOPC;MDCG;27;0;"MARTINI bead: SN0_SC5";;;;;;;1.94;;0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM458079;MM458079;CCC=CC=NN=CC#N;GRGMPKKDBMUDNQ-UHFFFAOYSA-N;135.17;1.53;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1_P2";;;;;;;1.8;;0.4;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM458080;MM458080;CC=C1OCC2(CN)CC12;KZGAKIPFZBFMLB-UHFFFAOYSA-N;139.2;0.89;;;;;DOPC;MDCG;27;1;"MARTINI bead: SC5_SP1";;;;;;;0.81;;-2.89;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM458081;MM458081;C=CC=NN=CC=CCN;JUSKZSQZICUCCJ-UHFFFAOYSA-N;137.19;0.74;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_N0";;;;;;;1.17;;-3.28;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM458082;MM458082;NCC12COC(=CF)C1C2;KYRJXHIVLQNFFV-UHFFFAOYSA-N;143.16;0.79;;;;;DOPC;MDCG;27;1;"MARTINI bead: SP1_SNa";;;;;;;0.04;;-4.94;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM458083;MM458083;C=NN=CC(C)F;RIUJMOXOSJROQH-UHFFFAOYSA-N;102.11;1.03;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_P1";;;;;;;0.81;;-0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM458084;MM458084;CC=C1OCC2(CO)CC12;VTFQLCGAKZPBHZ-UHFFFAOYSA-N;140.18;0.92;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC5_SP1";;;;;;;0.81;;-0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM458085;MM458085;O=CC=NN=CC=CCO;AMVVZPRTRFAUCJ-UHFFFAOYSA-N;140.14;-0.21;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda_Na";;;;;;;0.87;;-1.99;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM458086;MM458086;FC=C1OCC2(CF)CC12;WLODMZZIMCTJGN-UHFFFAOYSA-N;146.14;1.8;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNa_SNa";;;;;;;0.87;;-2.22;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM458087;MM458087;N#CC=NN=CC=CCO;MPWWYSVBIDWNAE-UHFFFAOYSA-N;137.14;0.12;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda_N0";;;;;;;1.17;;-1.13;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM458088;MM458088;C=COC(=C)NC(=N)C#N;JMLBNKMNEHBDDH-UHFFFAOYSA-N;137.14;0.71;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_P2";;;;;;;0.54;;-1.09;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM458089;MM458089;CN=CC=CNN=CC#N;OZMWYFIWNGDXTA-UHFFFAOYSA-N;136.16;0.3;;;;;DOPC;MDCG;27;1;"MARTINI bead: N0_Nd";;;;;;;1.17;;-3.95;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM458090;MM458090;NCC12COC(=NO)C1C2;OKOBAZHBRSFEFU-UHFFFAOYSA-N;142.16;-0.23;;;;;DOPC;MDCG;27;1;"MARTINI bead: SP1_SP1";;;;;;;-0.79;;-5.33;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM458091;MM458091;C=CC=NN=CC=COC;VCHHKVJKYGVQKK-UHFFFAOYSA-N;138.17;1.39;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_C5";;;;;;;1.64;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM458092;MM458092;CC=NNCC(C)CC#N;AIIWWUQYVPNUHB-UHFFFAOYSA-N;139.2;1.13;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nd_C5";;;;;;;1.64;;0.02;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM458093;MM458093;COC=CC=NN=CC=O;BVMPRDMRWDPDFI-UHFFFAOYSA-N;140.14;0.4;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_Na";;;;;;;0.87;;-2.22;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM458094;MM458094;OCC12COC(=NO)C1C2;FJPWLAAFGKRMPX-UHFFFAOYSA-N;143.14;-0.2;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP1_SP1";;;;;;;-0.79;;-3.13;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM458095;MM458095;C#CCC#CC(C)NN=C;XOMGYPQSOGLLDI-UHFFFAOYSA-N;134.18;0.61;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nd_N0";;;;;;;1.17;;-1.04;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM458096;MM458096;COC=CC=NN=CC#N;GCNIIAQUYXSNQY-UHFFFAOYSA-N;137.14;0.73;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_N0";;;;;;;1.17;;-1.18;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM458097;MM458097;ON=C1OCC2(CF)CC12;MIYPHJFPAIVXSF-UHFFFAOYSA-N;145.13;0.78;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP1_SNa";;;;;;;0.04;;-2.54;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM458098;MM458098;CN=NC=CNN=CC#N;INYROICXABRABZ-UHFFFAOYSA-N;137.15;0.64;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_P2";;;;;;;0.54;;-1.09;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM458099;MM458099;CC=C1OCC2(NC)CC12;HONCPQDWCUESEL-UHFFFAOYSA-N;139.2;0.9;;;;;DOPC;MDCG;27;1;"MARTINI bead: SP1_SC5";;;;;;;0.81;;-2.34;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM458100;MM458100;C=CC=NN=CC=NOC;KJZNKMYVMYLTIT-UHFFFAOYSA-N;139.16;0.86;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_N0";;;;;;;1.17;;-1.18;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM458101;MM458101;CNC12COC(=CF)C1C2;NJYQUXIDFYXOBY-UHFFFAOYSA-N;143.16;0.81;;;;;DOPC;MDCG;27;1;"MARTINI bead: SP1_SNa";;;;;;;0.04;;-4.39;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM458102;MM458102;C=CC=CC=NN=CCC;CNQATGOFYKVZMV-UHFFFAOYSA-N;136.2;2.2;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4_C4";;;;;;;3.53;;0.53;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM458103;MM458103;CNC12COC(=NO)C1C2;YSFTWDSTIGOZLZ-UHFFFAOYSA-N;142.16;-0.22;;;;;DOPC;MDCG;27;1;"MARTINI bead: SP1_SP1";;;;;;;-0.79;;-4.44;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM458104;MM458104;CCC=NN=CC=CC#N;NRIJQBAKVNXVNG-UHFFFAOYSA-N;135.17;1.53;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4_N0";;;;;;;2.5;;0.44;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM458105;MM458105;CC=C1OCC2(OC)CC12;CZTXMDBGPAHXNG-UHFFFAOYSA-N;140.18;1.33;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNa_SC5";;;;;;;1.64;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM458106;MM458106;O=CC=CC=NN=CCO;OPWREKOOQNEWMM-UHFFFAOYSA-N;140.14;-0.21;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda_Na";;;;;;;0.87;;-1.99;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM458107;MM458107;C#CCONC(C)=NOC;HUWBTKRZVGRSLN-UHFFFAOYSA-N;142.16;0.12;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_N0";;;;;;;0.34;;-1.53;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM458108;MM458108;N#CC=CC=NN=CCO;SMCGNYPHHGFUPF-UHFFFAOYSA-N;137.14;0.12;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda_N0";;;;;;;1.17;;-1.13;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM458109;MM458109;COC12COC(=NO)C1C2;OIJFYFDYZOPYNU-UHFFFAOYSA-N;143.14;0.21;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNa_SP1";;;;;;;0.04;;-2.54;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM458110;MM458110;CC=NN=CC(C)F;WVBIWZKVKCVBTM-UHFFFAOYSA-N;116.14;1.42;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_C5";;;;;;;2.41;;0.64;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM458111;MM458111;CC=C1CNC2(CC)CC12;DITJQKBJJCTBLW-UHFFFAOYSA-N;137.23;1.7;;;;;DOPC;MDCG;27;1;"MARTINI bead: SNd_SN0";;;;;;;1.17;;-3.95;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM458112;MM458112;COC=NN=CC=CC=O;UQWKNXCMDMIHNU-UHFFFAOYSA-N;140.14;0.4;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_Na";;;;;;;0.87;;-2.22;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM458113;MM458113;CCC12CC1C(=CF)CN2;XDVIGEVSMYGIFF-UHFFFAOYSA-N;141.19;1.61;;;;;DOPC;MDCG;27;1;"MARTINI bead: SNd_SP1";;;;;;;0.04;;-5.07;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM458114;MM458114;COC=NN=CC=CC#N;ZCPFFTQNVQWFKG-UHFFFAOYSA-N;137.14;0.73;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_N0";;;;;;;1.17;;-1.18;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM458115;MM458115;CC=C1CNC2(CN)CC12;MMJHTXRWTRPHSS-UHFFFAOYSA-N;138.21;0.25;;;;;DOPC;MDCG;27;1;"MARTINI bead: SN0_SP2";;;;;;;0.06;;-4.69;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM458116;MM458116;C=NN=CC=NN=CCO;JBQOVYMODJSHSF-UHFFFAOYSA-N;140.15;-0.28;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda_N0";;;;;;;1.17;;-1.13;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM458117;MM458117;NCC12CC1C(=CF)CN2;SANBQEVYBJWCOE-UHFFFAOYSA-N;142.18;0.16;;;;;DOPC;MDCG;27;1;"MARTINI bead: SP2_SP1";;;;;;;-1.06;;-6.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM458118;MM458118;N=C1C=C(F)C(=N)N1;QSONLBRBHXPXIQ-UHFFFAOYSA-N;113.1;0.4;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNda_SP1";;;;;;;0.04;;-2.73;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM458119;MM458119;CC=C1CNC2(CO)CC12;FBSBLGYEXSVHBM-UHFFFAOYSA-N;139.2;0.29;;;;;DOPC;MDCG;27;1;"MARTINI bead: SN0_SP1";;;;;;;0.34;;-3.71;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM458120;MM458120;C=NN=CC=NN=COC;OBODKOJORPWMKF-UHFFFAOYSA-N;140.15;0.33;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_N0";;;;;;;1.17;;-1.18;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM458121;MM458121;OCC12CC1C(=CF)CN2;VLZLPRWYSNFTJN-UHFFFAOYSA-N;143.16;0.19;;;;;DOPC;MDCG;27;1;"MARTINI bead: SP2_SP1";;;;;;;-1.06;;-5.54;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM458122;MM458122;C#CC=CC=CC=CCC;SKPLBEZLKPYVRY-UHFFFAOYSA-N;132.21;2.7;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1_N0";;;;;;;3.21;;0.46;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM458123;MM458123;CC=C1CNC2(CF)CC12;PCAPNVXMHIEHKH-UHFFFAOYSA-N;141.19;1.26;;;;;DOPC;MDCG;27;1;"MARTINI bead: SN0_SNda";;;;;;;1.17;;-2.36;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM458124;MM458124;C#CC=CC=CC=CCN;SZXZOBMIOOVKCP-UHFFFAOYSA-N;133.19;1.25;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1_C4";;;;;;;1.37;;-2.17;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM458125;MM458125;CCC12CC1C(=NN)CN2;HXHQUNYWPFQFQV-UHFFFAOYSA-N;139.2;0.07;;;;;DOPC;MDCG;27;1;"MARTINI bead: SNd_SP2";;;;;;;-0.24;;-4.29;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM458126;MM458126;C#CC=CC=CC=COC;MMBNKGUOUSAGLF-UHFFFAOYSA-N;134.18;1.89;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_C4";;;;;;;2.2;;0.34;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM458127;MM458127;CCC12CC1C(=NO)CN2;KEIKDASZWCEXOZ-UHFFFAOYSA-N;140.19;0.59;;;;;DOPC;MDCG;27;1;"MARTINI bead: SNd_SP3";;;;;;;-1.1;;-5.55;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM458128;MM458128;C#CC=CC=CC=NNC;VZQYDZSZHRAIEC-UHFFFAOYSA-N;134.18;0.94;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_C4";;;;;;;1.09;;-0.38;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM458129;MM458129;NCC12CC1C(=NO)CN2;YWEGSXBGMQOHKT-UHFFFAOYSA-N;141.17;-0.86;;;;;DOPC;MDCG;27;1;"MARTINI bead: SP2_SP3";;;;;;;-2.2;;-7.16;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM458130;MM458130;C#CC=CC=CC=NOC;FFBFFAXBZDFNTG-UHFFFAOYSA-N;135.17;1.36;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_C4";;;;;;;2.2;;0.34;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM458131;MM458131;CCC12CC1C(NC)=NN2;PLLFSUVQKVJJJA-UHFFFAOYSA-N;139.2;0.29;;;;;DOPC;MDCG;27;1;"MARTINI bead: SNd_SP2";;;;;;;-0.24;;-4.89;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM458132;MM458132;C#CC=NN=CC=CCN;GYKCULITXCHFNU-UHFFFAOYSA-N;135.17;0.19;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1_C5";;;;;;;0.81;;-2.72;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM458133;MM458133;COC(=N)NOC(=O)OC;PKHGQQVUMQTJHP-UHFFFAOYSA-N;148.12;-0.14;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_Na";;;;;;;-0.24;;-3.24;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM458134;MM458134;C#CC=NN=CC=COC;ZIUGGXLJPLXRPV-UHFFFAOYSA-N;136.15;0.84;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_C5";;;;;;;1.64;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM458135;MM458135;CN=C1NNC2(CN)CC12;FCGDFAZUVXTUPV-UHFFFAOYSA-N;140.19;-1.16;;;;;DOPC;MDCG;27;1;"MARTINI bead: SP2_SP3";;;;;;;-2.2;;-7.51;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM458136;MM458136;CNC1=CC(=O)N=C1;LXFCQQRFRAKBMG-UHFFFAOYSA-N;110.12;-0.3;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNd_SNa";;;;;;;0.87;;-1.88;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM458137;MM458137;CN=C1NNC2(CO)CC12;ONVSJVOBIXBGQA-UHFFFAOYSA-N;141.17;-1.13;;;;;DOPC;MDCG;27;1;"MARTINI bead: SP2_SP3";;;;;;;-2.2;;-7.45;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM458138;MM458138;C#CC=NN=CC=NOC;TUISZXKOUFQSQP-UHFFFAOYSA-N;137.14;0.31;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_C5";;;;;;;0.81;;-0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM458139;MM458139;C#CC1(C)CC(C=C)=NN1;DGOUWAHJVSWLCC-UHFFFAOYSA-N;134.18;0.91;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNd_SP1";;;;;;;0.04;;-2.63;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM458140;MM458140;C#CC=CC=NN=CCF;WJPACQZALZFGDI-UHFFFAOYSA-N;138.15;1.2;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_C4";;;;;;;1.37;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM458141;MM458141;CN=C1NNC2(CF)CC12;SNCCBNYZMVNHCT-UHFFFAOYSA-N;143.17;-0.15;;;;;DOPC;MDCG;27;1;"MARTINI bead: SP2_SP2";;;;;;;-1.34;;-6.59;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM458142;MM458142;C#CC=CC=NN=COC;ZOSYJSZKPURPBZ-UHFFFAOYSA-N;136.15;0.84;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_N0";;;;;;;1.94;;0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM458143;MM458143;COC(=N)NN(C=N)C=O;PILPSTKAFHKNQY-UHFFFAOYSA-N;144.13;-0.86;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_P4";;;;;;;-2.01;;-5.13;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM458144;MM458144;C=CC=CC=CC=CC=O;IEMJWMDAYSVSKR-UHFFFAOYSA-N;134.18;2.04;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1_Na";;;;;;;2.91;;0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM458145;MM458145;CC=C1COC2(CC)CC12;DWEYJPZHQWUDMX-UHFFFAOYSA-N;138.21;2.13;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNa_SN0";;;;;;;1.17;;-1.18;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM458146;MM458146;C=CC=CC=CC=CC#N;CKGGNVRGKYQZFU-UHFFFAOYSA-N;131.18;2.36;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1_N0";;;;;;;3.21;;0.46;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM458147;MM458147;CCC12CC1C(=CF)CO2;MSOCRIOVYUETDY-UHFFFAOYSA-N;142.17;2.04;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNa_SNa";;;;;;;0.87;;-2.22;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM458148;MM458148;O=CC=CC=CC=CC=O;WHBHQMAXOAXILT-UHFFFAOYSA-N;136.15;1.05;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_C4";;;;;;;2.2;;0.34;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM458149;MM458149;CC=C1COC2(CN)CC12;LVWSZCXBUJKSDD-UHFFFAOYSA-N;139.2;0.68;;;;;DOPC;MDCG;27;1;"MARTINI bead: SN0_SP1";;;;;;;0.34;;-3.64;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM458150;MM458150;N#CC=CC=CC=CC=O;BJHJTUQEMIUGBY-UHFFFAOYSA-N;133.15;1.38;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_C4";;;;;;;2.2;;0.34;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM458151;MM458151;NCC12CC1C(=CF)CO2;UABYMGSUXIGQHR-UHFFFAOYSA-N;143.16;0.59;;;;;DOPC;MDCG;27;1;"MARTINI bead: SP2_SNa";;;;;;;-0.24;;-5.34;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM458152;MM458152;N#CC=CC=CC=CC#N;CKTLCVUHLBWSII-UHFFFAOYSA-N;130.15;1.7;;;;;DOPC;MDCG;27;0;"MARTINI bead: N0_N0";;;;;;;1.47;;-0.05;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM458153;MM458153;CC=C1COC2(CO)CC12;IKEONEMDVHRKEP-UHFFFAOYSA-N;140.18;0.71;;;;;DOPC;MDCG;27;0;"MARTINI bead: SN0_SP1";;;;;;;0.34;;-1.53;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM458154;MM458154;C=CC=CC=CC=NN=C;PEDZXNZSBOGHIN-UHFFFAOYSA-N;134.18;1.97;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1_N0";;;;;;;3.21;;0.46;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM458155;MM458155;OCC12CC1C(=CF)CO2;ZXQDPKDPDLCUOQ-UHFFFAOYSA-N;144.15;0.62;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP2_SNa";;;;;;;-0.24;;-3.24;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM458156;MM458156;C=NN=CC=CC=CC=O;CUXHQYBTYAGNJR-UHFFFAOYSA-N;136.15;0.98;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_Na";;;;;;;1.64;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM458157;MM458157;CC=C1COC2(CF)CC12;UFDVGXRFHHDIRM-UHFFFAOYSA-N;142.17;1.69;;;;;DOPC;MDCG;27;0;"MARTINI bead: SN0_SNa";;;;;;;1.17;;-1.18;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM458158;MM458158;C=NN=CC=CC=CC#N;XSSDBRSVKAWFCF-UHFFFAOYSA-N;133.15;1.31;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_N0";;;;;;;1.94;;0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM458159;MM458159;FC=C1COC2(CF)CC12;YWZPQEKIJUPKRY-UHFFFAOYSA-N;146.14;1.6;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP1_SNa";;;;;;;0.04;;-2.54;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM458160;MM458160;C=NN=CC=CC=NN=C;GYGHZWISHQIPJP-UHFFFAOYSA-N;136.16;0.92;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_C5";;;;;;;2.41;;0.64;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM458161;MM458161;CCC12CC1C(=NN)CO2;AJHOVUFFHUYNNI-UHFFFAOYSA-N;140.19;0.5;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNa_SP1";;;;;;;0.04;;-2.54;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM458162;MM458162;C=CC=CC=NN=CC#N;FUOIKJJPHHPJMI-UHFFFAOYSA-N;133.15;1.31;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4_N0";;;;;;;2.5;;0.44;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM458163;MM458163;CCC12CC1C(=NO)CO2;GTTBDBMUUZODSZ-UHFFFAOYSA-N;141.17;1.02;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNa_SP2";;;;;;;-0.24;;-3.24;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM458164;MM458164;C=CC=NN=CC=CC=O;AEFIXZUWHNDETC-UHFFFAOYSA-N;136.15;0.98;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_Na";;;;;;;1.64;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM458165;MM458165;NCC12CC1C(=NO)CO2;HIBZFZVNFKWFQO-UHFFFAOYSA-N;142.16;-0.44;;;;;DOPC;MDCG;27;1;"MARTINI bead: SP2_SP2";;;;;;;-1.34;;-6.22;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM458166;MM458166;O=CC=CC=NN=CC=O;HGRPGZOHGSUCKD-UHFFFAOYSA-N;138.13;;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_C5";;;;;;;1.64;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM458167;MM458167;CCN(CC)N=CC(C)F;QNWZTFFLVQAVFT-UHFFFAOYSA-N;146.21;1.67;;;;;DOPC;MDCG;27;0;"MARTINI bead: N0_Na";;;;;;;1.17;;-1.18;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM458168;MM458168;N#CC=CC=NN=CC=O;VDBOXSOWVBXJQR-UHFFFAOYSA-N;135.13;0.32;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_N0";;;;;;;1.17;;-1.18;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM458169;MM458169;OCC12CC1C(=NO)CO2;KSDYTZFSAPCJSN-UHFFFAOYSA-N;143.14;-0.4;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP2_SP2";;;;;;;-1.34;;-4.31;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM458170;MM458170;N#CC=NN=CC=CC=O;UJAWIISYYZLCPS-UHFFFAOYSA-N;135.13;0.32;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_N0";;;;;;;1.17;;-1.18;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM458171;MM458171;NN=C1COC2(CF)CC12;PECHRSNQKRFWBM-UHFFFAOYSA-N;144.15;0.06;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP1_SNa";;;;;;;0.04;;-2.54;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM458172;MM458172;N#CC=CC=NN=CC#N;PCWZZXJXWZUUOS-UHFFFAOYSA-N;132.13;0.65;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_C4";;;;;;;1.37;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM458173;MM458173;ON=C1COC2(CF)CC12;IURWTSHAAATJHR-UHFFFAOYSA-N;145.13;0.58;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP2_SNa";;;;;;;-0.24;;-3.24;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM458174;MM458174;C=CC=NN=CC=NN=C;NZSQXNWJLXWLBM-UHFFFAOYSA-N;136.16;0.92;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_N0";;;;;;;1.94;;0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM458175;MM458175;CC=C1COC2(OC)CC12;VQAXMULYJFSJKR-UHFFFAOYSA-N;140.18;1.33;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP1_SN0";;;;;;;0.34;;-1.53;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM458176;MM458176;C=NN=CC=NN=CC#N;HFPVWCXZRXJOEI-UHFFFAOYSA-N;135.13;0.25;;;;;DOPC;MDCG;27;0;"MARTINI bead: N0_N0";;;;;;;1.47;;-0.05;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM458177;MM458177;COC12CC1C(=CF)CO2;VKSUQHXMNCTJBW-UHFFFAOYSA-N;144.15;1.23;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP1_SNa";;;;;;;0.04;;-2.54;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM458178;MM458178;C#CC=CC=CC=CC=C;BCIFMKQYQUTVGV-UHFFFAOYSA-N;130.19;2.47;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1_C4";;;;;;;4.24;;0.42;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM458179;MM458179;COC12CC1C(=NN)CO2;POOQRQWLEYFXHT-UHFFFAOYSA-N;142.16;-0.31;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP1_SP1";;;;;;;-0.79;;-3.13;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM458180;MM458180;C#CC=CC=CC=CC#N;AODALXIEVUIITO-UHFFFAOYSA-N;129.16;1.81;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4_N0";;;;;;;2.5;;0.44;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM458181;MM458181;COC12CC1C(=NO)CO2;CCEJBACHCVULBK-UHFFFAOYSA-N;143.14;0.21;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP1_SP2";;;;;;;-1.06;;-3.82;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM458182;MM458182;C#CC=CC=CC=NN=C;DDIHGZCVGJVEKS-UHFFFAOYSA-N;132.17;1.42;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_C4";;;;;;;2.97;;0.45;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM458183;MM458183;CCN(C)C(=O)C(F)=CN;GABWALAGOYJOLU-UHFFFAOYSA-N;146.17;0.23;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_P1";;;;;;;0.81;;-0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM458184;MM458184;C#CC=NN=CC=CC=O;VYPHXFXEHXOYEQ-UHFFFAOYSA-N;134.14;0.43;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_C4";;;;;;;2.2;;0.34;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM458185;MM458185;N=C(C#CC=O)NOC=O;NIYWIFIIGDUICP-UHFFFAOYSA-N;140.1;-1.16;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_Nda";;;;;;;-0.24;;-3.31;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM458186;MM458186;C#CC=NN=CC=CC#N;NGTQSPKCWZZGOA-UHFFFAOYSA-N;131.14;0.76;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_N0";;;;;;;1.94;;0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM458187;MM458187;CN=C1NOC2(CN)CC12;LWSDIMRDEFJTJT-UHFFFAOYSA-N;141.17;-0.73;;;;;DOPC;MDCG;27;1;"MARTINI bead: SNd_SP2";;;;;;;-0.24;;-4.45;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM458188;MM458188;C#CC=NN=CC=NN=C;BXIPMTVFUAMFHS-UHFFFAOYSA-N;134.14;0.36;;;;;DOPC;MDCG;27;0;"MARTINI bead: N0_C5";;;;;;;1.94;;0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM458189;MM458189;NCC12CC1C(NO)=NO2;HEDAJYLWLPTFSK-UHFFFAOYSA-N;143.15;-0.97;;;;;DOPC;MDCG;27;1;"MARTINI bead: SP2_SP2";;;;;;;-1.34;;-5.74;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM458190;MM458190;C#CC=CC=NN=CC=C;LAGOUGFJQRNEGK-UHFFFAOYSA-N;132.17;1.42;;;;;DOPC;MDCG;27;0;"MARTINI bead: N0_C4";;;;;;;2.5;;0.44;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM458191;MM458191;C#CC#CC(=N)NOC=O;VMSPRWPQILJPIT-UHFFFAOYSA-N;136.11;-0.72;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_N0";;;;;;;0.06;;-2.21;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM458192;MM458192;C#CC=CC=NN=CC=O;YXIYBNWYSPKOPL-UHFFFAOYSA-N;134.14;0.43;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_C4";;;;;;;1.37;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM458193;MM458193;CON=CNOC(C)CF;FPTQQIUJSDPSNQ-UHFFFAOYSA-N;150.15;0.46;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_Nda";;;;;;;0.04;;-2.73;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM458194;MM458194;C#CC=CC=NN=CC#N;IIXKGMDAXACSFC-UHFFFAOYSA-N;131.14;0.76;;;;;DOPC;MDCG;27;0;"MARTINI bead: N0_C4";;;;;;;2.5;;0.44;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM458195;MM458195;CCC(=O)OCC=NOC;LJEAAFYXZXTDLY-UHFFFAOYSA-N;145.16;0.57;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_Na";;;;;;;0.87;;-2.22;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM458196;MM458196;C#CC=CC=CC=CC#C;FHTQCHYEWJJGMX-UHFFFAOYSA-N;128.17;1.92;;;;;DOPC;MDCG;27;0;"MARTINI bead: N0_C4";;;;;;;2.5;;0.44;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM458197;MM458197;ON=C1NOC2(CF)CC12;GXFQAXJXDCJGAU-UHFFFAOYSA-N;146.12;0.04;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP2_SP1";;;;;;;-1.06;;-3.82;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM458198;MM458198;C#CC=CC=NN=CC#C;WJTSEVRCLSROTA-UHFFFAOYSA-N;130.15;0.87;;;;;DOPC;MDCG;27;0;"MARTINI bead: N0_C4";;;;;;;2.5;;0.44;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM458199;MM458199;CNC1=NOC2(OC)CC12;FFAAXAKVJCLAAX-UHFFFAOYSA-N;142.16;-0.09;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNd_SNa";;;;;;;0.87;;-1.88;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM458200;MM458200;CCC#CC=CC=CCC;ZQEDENWGSKDAED-UHFFFAOYSA-N;134.22;2.92;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1_C3";;;;;;;4.61;;0.31;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM458201;MM458201;C#CC(C)NN=CC#CC;RPDUYGRYWDGFAN-UHFFFAOYSA-N;134.18;0.61;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nd_C5";;;;;;;1.64;;0.02;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM458202;MM458202;CCC=CC=CC#CCN;NVAPATGAJUVWIP-UHFFFAOYSA-N;135.21;1.47;;;;;DOPC;MDCG;27;1;"MARTINI bead: C3_Nd";;;;;;;2.57;;-0.13;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM458203;MM458203;C#CCNN=CC(C)C=C;ZGVCGAMAUMMQSX-UHFFFAOYSA-N;136.2;1.02;;;;;DOPC;MDCG;27;0;"MARTINI bead: C3_P1";;;;;;;1.74;;0.29;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM458204;MM458204;CCC=CC=CC#CCF;CTELARRISDXQNS-UHFFFAOYSA-N;138.19;2.48;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1_Na";;;;;;;2.91;;0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM458205;MM458205;CC=C1CCC2(CN)NC12;KYEOBUGQBZXPAP-UHFFFAOYSA-N;138.21;0.4;;;;;DOPC;MDCG;27;1;"MARTINI bead: SC1_SP2";;;;;;;1.8;;-0.87;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM458206;MM458206;CCC#CC=CC=CCN;BRCVHXFDPRANAF-UHFFFAOYSA-N;135.21;1.47;;;;;DOPC;MDCG;27;1;"MARTINI bead: C2_P1";;;;;;;2;;-0.87;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM458207;MM458207;CCC#CC=CC=CCO;DJTONBMMPUCZKH-UHFFFAOYSA-N;136.19;1.5;;;;;DOPC;MDCG;27;0;"MARTINI bead: C2_Nda";;;;;;;2.83;;0.57;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM458208;MM458208;NCC12CCC(=CF)C1N2;UIBSMWFYKBULIA-UHFFFAOYSA-N;142.18;0.3;;;;;DOPC;MDCG;27;1;"MARTINI bead: SP2_SC4";;;;;;;1.09;;-2.31;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM458209;MM458209;NCC#CC=CC=CCO;MWJVJVKNABORTP-UHFFFAOYSA-N;137.18;0.05;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_Nda";;;;;;;0.87;;-3.27;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM458210;MM458210;C#CC(F)=CNC=NOC;FCXPKRVORSFJEP-UHFFFAOYSA-N;142.13;0.61;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_C5";;;;;;;0.54;;-1.09;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM458211;MM458211;OCC=CC=CC#CCF;SFMTZOZHWQXKLF-UHFFFAOYSA-N;140.16;1.06;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda_Na";;;;;;;0.87;;-1.99;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM458212;MM458212;CCCC(C#N)=C(N)C#N;MIMVOENLXGXPJH-UHFFFAOYSA-N;135.17;1.05;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_P2";;;;;;;0.54;;-1.09;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM458213;MM458213;CCC#CC=CC=CCF;ZPGYXMLFTDKGCF-UHFFFAOYSA-N;138.19;2.48;;;;;DOPC;MDCG;27;0;"MARTINI bead: C2_Na";;;;;;;2.83;;0.35;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM458214;MM458214;CC=C1CCC2(CF)NC12;WTPDLKXRNZLGJH-UHFFFAOYSA-N;141.19;1.41;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC1_SNda";;;;;;;2.91;;0.57;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM458215;MM458215;NCC#CC=CC=CCF;CIPVLPKYXMILJC-UHFFFAOYSA-N;139.17;1.03;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_C4";;;;;;;2.2;;-0.79;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM458216;MM458216;FC=C1CCC2(CF)NC12;ACYLDLISUYMCGK-UHFFFAOYSA-N;145.15;1.31;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNda_SC4";;;;;;;2.2;;0.49;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM458217;MM458217;OCC#CC=CC=CCF;YVQXSRBCKXILET-UHFFFAOYSA-N;140.16;1.06;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_C3";;;;;;;1.46;;-0.15;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM458218;MM458218;CCC12CCC(=NN)C1N2;XWJKJFIWHHOZLY-UHFFFAOYSA-N;139.2;0.22;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNd_SNd";;;;;;;0.87;;-2.11;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM458219;MM458219;CCC#CC=CC=COC;WZSFPGGFSVFSSG-UHFFFAOYSA-N;136.19;2.12;;;;;DOPC;MDCG;27;0;"MARTINI bead: C2_Na";;;;;;;2.83;;0.35;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM458220;MM458220;C=CC#CC(C#N)=NNC;JKWWHIGSUHPNTM-UHFFFAOYSA-N;133.15;0.27;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nd_N0";;;;;;;1.17;;-1.04;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM458221;MM458221;COC=CC=CC#CCN;PHAPPTLQNZCREE-UHFFFAOYSA-N;137.18;0.66;;;;;DOPC;MDCG;27;1;"MARTINI bead: Na_Nd";;;;;;;0.87;;-3.23;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM458222;MM458222;NN=C1CCC2(CF)NC12;MNLMGKSDAABXMP-UHFFFAOYSA-N;143.17;-0.23;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNd_SNda";;;;;;;0.87;;-1.92;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM458223;MM458223;CCC#CC=CC=NNC;BIEJSUTVWYSRLH-UHFFFAOYSA-N;136.2;1.16;;;;;DOPC;MDCG;27;0;"MARTINI bead: C2_P2";;;;;;;1.72;;0.27;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM458224;MM458224;ON=C1CCC2(CF)NC12;KJATZEWZLPCSJZ-UHFFFAOYSA-N;144.15;0.29;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNda_SNda";;;;;;;0.87;;-2.07;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM458225;MM458225;CNN=CC=CC#CCN;NTHFJIRMNYDHRX-UHFFFAOYSA-N;137.19;-0.29;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_Nd";;;;;;;0.87;;-3.46;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM458226;MM458226;CN=C1NCC2(CN)NC12;WVRSGKRIYZCLML-UHFFFAOYSA-N;140.19;-1.71;;;;;DOPC;MDCG;27;1;"MARTINI bead: SNd_SP3";;;;;;;-1.1;;-5.99;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM458227;MM458227;CNN=CC=CC#CCF;AOHZIUTUZZRTDZ-UHFFFAOYSA-N;140.16;0.72;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nd_C5";;;;;;;1.64;;0.02;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM458228;MM458228;CN=C1NCC2(CO)NC12;JQLCJANFURCQJP-UHFFFAOYSA-N;141.17;-1.68;;;;;DOPC;MDCG;27;1;"MARTINI bead: SNd_SP3";;;;;;;-1.1;;-5.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM458229;MM458229;CCC#CC=CC=NOC;KFCVTDSXHGRPIB-UHFFFAOYSA-N;137.18;1.59;;;;;DOPC;MDCG;27;0;"MARTINI bead: C2_P1";;;;;;;2;;0.3;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM458230;MM458230;CN=C1NCC2(CF)NC12;BFJLACIJNUHUDI-UHFFFAOYSA-N;143.17;-0.7;;;;;DOPC;MDCG;27;1;"MARTINI bead: SNd_SP2";;;;;;;-0.24;;-5.11;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM458231;MM458231;N=C(C=O)NN1CC1;XLTVPIKQADFHFF-UHFFFAOYSA-N;113.12;-1.02;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_SP3";;;;;;;-2.2;;-5.19;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM458232;MM458232;ON=C1NCC2(CF)NC12;AIYPWQSPGIVILZ-UHFFFAOYSA-N;145.14;-0.94;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP1_SP2";;;;;;;-1.06;;-3.82;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM458233;MM458233;CON=CC=CC#CCF;LBOPRIIEOBBBIJ-UHFFFAOYSA-N;141.15;1.15;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_C5";;;;;;;1.64;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM458234;MM458234;CC=C1OCC2(CC)NC12;AIOJTLMGBFVMPU-UHFFFAOYSA-N;139.2;1.04;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNd_SC5";;;;;;;1.64;;0.02;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM458235;MM458235;CCC#CC=NN=CCC;YANXNTPLYICDQR-UHFFFAOYSA-N;136.2;1.87;;;;;DOPC;MDCG;27;0;"MARTINI bead: N0_C3";;;;;;;2.87;;0.37;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM458236;MM458236;CC=C1OCC2(CN)NC12;WAWPVIHKHPFSLP-UHFFFAOYSA-N;140.19;-0.41;;;;;DOPC;MDCG;27;1;"MARTINI bead: SC5_SP3";;;;;;;-0.33;;-3.89;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM458237;MM458237;CCC(=O)C(C)N1CC1C;XYFVKJCMVGWCOM-UHFFFAOYSA-N;141.21;1.06;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_SNd";;;;;;;0.87;;-1.88;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM458238;MM458238;CCC=NN=CC#CCN;UYDRCVYYRFOUDE-UHFFFAOYSA-N;137.19;0.42;;;;;DOPC;MDCG;27;1;"MARTINI bead: C4_P2";;;;;;;1.09;;-1.53;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM458239;MM458239;CC=C1OCC2(CF)NC12;SHTIQWXISVHNER-UHFFFAOYSA-N;143.16;0.6;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC5_SP1";;;;;;;0.81;;-0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM458240;MM458240;CCC=NN=CC#CCO;YTTGBMROUZODFN-UHFFFAOYSA-N;138.17;0.45;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4_P2";;;;;;;1.09;;-0.38;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM458241;MM458241;C#CC(=CF)NC=NOC;MHJSWHZJMRSPTB-UHFFFAOYSA-N;142.13;0.61;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_C5";;;;;;;0.54;;-1.09;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM458242;MM458242;CCC#CC=NN=CCO;STNWVOMDPGXJFE-UHFFFAOYSA-N;138.17;0.45;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_Nda";;;;;;;1.64;;0.05;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM458243;MM458243;OCC=NN=CC#CCF;IFCXBNZRIIIYBO-UHFFFAOYSA-N;142.13;0.01;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda_Na";;;;;;;0.87;;-1.99;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM458244;MM458244;CCC12COC(=NO)C1N2;SXZZXKAQOBWGPW-UHFFFAOYSA-N;142.16;-0.08;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNd_SP1";;;;;;;0.04;;-2.63;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM458245;MM458245;NCC#CC=NN=CCF;VLYPORVMWSSEDL-UHFFFAOYSA-N;141.15;-0.03;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_Na";;;;;;;0.87;;-3.07;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM458246;MM458246;NCC12COC(=NO)C1N2;ATHDZJLYMFXBEB-UHFFFAOYSA-N;143.15;-1.53;;;;;DOPC;MDCG;27;1;"MARTINI bead: SP3_SP1";;;;;;;-1.93;;-6.33;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM458247;MM458247;OCC#CC=NN=CCF;ZJIJULMAJKKFLR-UHFFFAOYSA-N;142.13;0.01;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda_Na";;;;;;;0.87;;-1.99;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM458248;MM458248;CNN=CCON=CNN;VPIXDWWDFXXOEX-UHFFFAOYSA-N;145.17;-1.39;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda_P3";;;;;;;-1.1;;-3.97;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM458249;MM458249;CCC#CC=NN=COC;AZWJCNPLHIOZKS-UHFFFAOYSA-N;138.17;1.06;;;;;DOPC;MDCG;27;0;"MARTINI bead: C3_P1";;;;;;;1.74;;0.29;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM458250;MM458250;CCC12CCC(=CF)C1O2;IRPXUYPPZKFZBK-UHFFFAOYSA-N;142.17;2.18;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC5_SC4";;;;;;;2.97;;0.45;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM458251;MM458251;COC=NN=CC#CCF;ZDUTYQGCLFRENO-UHFFFAOYSA-N;142.13;0.62;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_C5";;;;;;;2.41;;0.64;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM458252;MM458252;CC=C1CCC2(CN)OC12;IWCVBVOWMYNHQR-UHFFFAOYSA-N;139.2;0.82;;;;;DOPC;MDCG;27;1;"MARTINI bead: SC1_SP1";;;;;;;2.08;;-0.46;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM458253;MM458253;C=CC#CC=CC=CCC;YUKOMNQQULCNQX-UHFFFAOYSA-N;132.21;2.7;;;;;DOPC;MDCG;27;0;"MARTINI bead: C3_C4";;;;;;;3.9;;0.47;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM458254;MM458254;CC=C1CCC2(CO)OC12;KKOFHJGZFQNEEF-UHFFFAOYSA-N;140.18;0.86;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC1_SP1";;;;;;;2.08;;0.48;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM458255;MM458255;CCC=CC=CC#CC=O;SQTSDDZDJCBBFL-UHFFFAOYSA-N;134.18;1.71;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1_P1";;;;;;;2.08;;0.48;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM458256;MM458256;CC=C1CCC2(CF)OC12;ZNMSAWKEUPZXJV-UHFFFAOYSA-N;142.17;1.83;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC1_SNa";;;;;;;2.91;;0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM458257;MM458257;CCC=CC=CC#CC#N;IEQUEYLQIAKOME-UHFFFAOYSA-N;131.18;2.04;;;;;DOPC;MDCG;27;0;"MARTINI bead: C3_N0";;;;;;;2.87;;0.37;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM458258;MM458258;FC=C1CCC2(CF)OC12;QMCHVNJQRJQODB-UHFFFAOYSA-N;146.14;1.74;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNa_SC4";;;;;;;2.2;;0.34;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM458259;MM458259;C=CC#CC=CC=CCN;WAMBDWUIHUJQOR-UHFFFAOYSA-N;133.19;1.25;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_C4";;;;;;;2.2;;-1.66;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM458260;MM458260;CCC12CCC(=NN)C1O2;VNFAXOLQCBVZNI-UHFFFAOYSA-N;140.19;0.64;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC5_SNd";;;;;;;1.64;;0.02;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM458261;MM458261;C=CC#CC=CC=CCO;UAAXLNUUAMOXPY-UHFFFAOYSA-N;134.18;1.28;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda_C4";;;;;;;2.2;;0.49;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM458262;MM458262;CCC12CCC(=NO)C1O2;VJXXZTRMCDTHPW-UHFFFAOYSA-N;141.17;1.16;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC5_SNda";;;;;;;1.64;;0.05;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM458263;MM458263;C=CC#CC=CC=COC;HNNOFRRZOWSYDC-UHFFFAOYSA-N;134.18;1.89;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_C4";;;;;;;2.2;;0.34;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM458264;MM458264;C=CCONC=NOCC;SHTUJORFMJWRGH-UHFFFAOYSA-N;144.17;0.67;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_Nda";;;;;;;0.87;;-1.99;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM458265;MM458265;C=CC#CC=CC=NNC;NXAHLUUOTYQNPQ-UHFFFAOYSA-N;134.18;0.94;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nd_C4";;;;;;;2.2;;0.32;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM458266;MM458266;OCC12CCC(=NO)C1O2;XIRJYQFVRCQIIS-UHFFFAOYSA-N;143.14;-0.26;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP1_SNda";;;;;;;0.04;;-2.73;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM458267;MM458267;CNN=CC=CC#CC=O;PQMWXKZAGFDMRN-UHFFFAOYSA-N;136.15;-0.05;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nd_C5";;;;;;;1.64;;0.02;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM458268;MM458268;NN=C1CCC2(CF)OC12;UMRFEVMPCORQRN-UHFFFAOYSA-N;144.15;0.2;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNd_SNa";;;;;;;0.87;;-1.88;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM458269;MM458269;CNN=CC=CC#CC#N;MTDFBLHRWXICHK-UHFFFAOYSA-N;133.15;0.27;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nd_N0";;;;;;;1.17;;-1.04;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM458270;MM458270;ON=C1CCC2(CF)OC12;VTVNQRFAELJLJB-UHFFFAOYSA-N;145.13;0.72;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNda_SNa";;;;;;;0.87;;-1.99;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM458271;MM458271;C=CC#CC=CC=NOC;ZTDFONOXCCCMHU-UHFFFAOYSA-N;135.17;1.36;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_C4";;;;;;;2.2;;0.34;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM458272;MM458272;CCC12CN=C(NC)C1O2;VUQNYYJFZGWJAD-UHFFFAOYSA-N;140.19;0.17;;;;;DOPC;MDCG;27;1;"MARTINI bead: SNa_SNd";;;;;;;0.87;;-3.41;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM458273;MM458273;CCC=NN=CC#CC#N;RKHQOTXNQBQLDH-UHFFFAOYSA-N;133.15;0.98;;;;;DOPC;MDCG;27;0;"MARTINI bead: C3_P1";;;;;;;1.74;;0.29;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM458274;MM458274;C#CCON=CNCC#N;AUUQFLHATUXLER-UHFFFAOYSA-N;137.14;-0.31;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_P2";;;;;;;-0.24;;-3.24;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM458275;MM458275;C=CC#CC=NN=CCO;NUZFEQVWZFSZMJ-UHFFFAOYSA-N;136.15;0.22;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_C4";;;;;;;1.09;;-0.38;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM458276;MM458276;CN=C1NCC2(CN)OC12;PDBSTPHFLHMADU-UHFFFAOYSA-N;141.17;-1.29;;;;;DOPC;MDCG;27;1;"MARTINI bead: SNd_SP3";;;;;;;-1.1;;-5.55;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM458277;MM458277;O=CC#CC=NN=CCO;FVFWLDMAZDDBQA-UHFFFAOYSA-N;138.13;-0.76;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_C5";;;;;;;0.54;;-1.09;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM458278;MM458278;CN=C1NCC2(CO)OC12;NDKJJZUOVQZAQS-UHFFFAOYSA-N;142.16;-1.25;;;;;DOPC;MDCG;27;1;"MARTINI bead: SNd_SP2";;;;;;;-0.24;;-4.59;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM458279;MM458279;N#CC#CC=NN=CCO;ODXLGODVXVUPRE-UHFFFAOYSA-N;135.13;-0.44;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda_N0";;;;;;;1.17;;-1.13;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM458280;MM458280;CN=C1NCC2(CF)OC12;UTHQNFXGGMCLLR-UHFFFAOYSA-N;144.15;-0.28;;;;;DOPC;MDCG;27;1;"MARTINI bead: SNd_SP1";;;;;;;0.04;;-4.05;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM458281;MM458281;C=CC#CC=NN=CCF;WQZKGASBEHZOLV-UHFFFAOYSA-N;138.15;1.2;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_C4";;;;;;;1.37;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM458282;MM458282;ON=C1NCC2(CF)OC12;MZFVYVQTZNWBKO-UHFFFAOYSA-N;146.12;-0.52;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP1_SP1";;;;;;;-0.79;;-3.13;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM458283;MM458283;N#CC#CC=NN=CCF;YZVMXJAANQTIKB-UHFFFAOYSA-N;137.12;0.54;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_N0";;;;;;;1.17;;-1.18;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM458284;MM458284;CCC12COC(=CF)C1O2;MDTSNSMWHCAFRC-UHFFFAOYSA-N;144.15;1.38;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNa_SNa";;;;;;;0.87;;-2.22;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM458285;MM458285;C=CC#CC=NN=COC;UDOMYBAIJVOWNS-UHFFFAOYSA-N;136.15;0.84;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_C4";;;;;;;1.37;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM458286;MM458286;CC=C1OCC2(CN)OC12;RQTHJOPISOHANC-UHFFFAOYSA-N;141.17;0.02;;;;;DOPC;MDCG;27;1;"MARTINI bead: SC5_SP2";;;;;;;0.54;;-3.04;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM458287;MM458287;COC=NN=CC#CC=O;TVUYJCHOYOJNGK-UHFFFAOYSA-N;138.13;-0.15;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_C5";;;;;;;0.81;;-0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM458288;MM458288;CC=C1OCC2(CF)OC12;JJEBFJGIORECCQ-UHFFFAOYSA-N;144.15;1.03;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC5_SP1";;;;;;;0.81;;-0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM458289;MM458289;COC=NN=CC#CC#N;MWTQZUGTTYQXJO-UHFFFAOYSA-N;135.13;0.17;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_N0";;;;;;;1.17;;-1.18;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM458290;MM458290;CC#CC#CCNN=CC;MAOXATKLGBSQMK-UHFFFAOYSA-N;134.18;0.61;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nd_C1";;;;;;;2.91;;0.63;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM458291;MM458291;C#CC#CC=CC=CCC;YFQYHAQLPLCERX-UHFFFAOYSA-N;130.19;2.15;;;;;DOPC;MDCG;27;0;"MARTINI bead: C3_C4";;;;;;;3.9;;0.47;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM458292;MM458292;N#CCC=NN=CC=CN;ZVWFMNHRFCNZCQ-UHFFFAOYSA-N;136.16;0.43;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_C5";;;;;;;0.81;;-0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM458293;MM458293;C#CC#CC=CC=CCN;XQPQMRUKSXXGBP-UHFFFAOYSA-N;131.18;0.69;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_C4";;;;;;;2.2;;-1.66;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM458294;MM458294;C=CCON=CCOC=O;UWYARKNOLYVAGH-UHFFFAOYSA-N;143.14;0.35;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_P1";;;;;;;0.81;;-0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM458295;MM458295;C#CC#CC=CC=CCO;PQNDQKQRSPEIHL-UHFFFAOYSA-N;132.16;0.73;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda_C4";;;;;;;2.2;;0.49;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM458296;MM458296;ON=C1OCC2(CF)OC12;JBRBBMAPBWTFKA-UHFFFAOYSA-N;147.11;-0.09;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP1_SP1";;;;;;;-0.79;;-3.13;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM458297;MM458297;C#CC#CC=CC=COC;NKRWADMOCWCOBV-UHFFFAOYSA-N;132.16;1.34;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_C4";;;;;;;2.2;;0.34;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM458298;MM458298;CCC12CCC(=NC)N1C2;AGFKARWRMFOLNQ-UHFFFAOYSA-N;138.21;1.27;;;;;DOPC;MDCG;27;1;"MARTINI bead: SN0_SNd";;;;;;;1.17;;-3.84;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM458299;MM458299;C#CC#CC=CC=NNC;QAMJILZJTCGWMR-UHFFFAOYSA-N;132.17;0.38;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_C4";;;;;;;1.09;;-0.38;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM458300;MM458300;CCC12CC1C(NN)=NO2;NKPRXKWMCCLTMP-UHFFFAOYSA-N;141.17;-0.04;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNa_SP2";;;;;;;-0.24;;-3.24;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM458301;MM458301;C#CC#CC=CC=NOC;TUWFXLQFUNODKC-UHFFFAOYSA-N;133.15;0.81;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_C4";;;;;;;1.37;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM458302;MM458302;CN=C1CCC2(CN)CN12;DFKRVJJQDUSBOK-UHFFFAOYSA-N;139.2;-0.18;;;;;DOPC;MDCG;27;1;"MARTINI bead: SNd_SP1";;;;;;;0.04;;-5.11;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM458303;MM458303;C#CC#CC=NN=CCC;NEZOGWHVWDTVDG-UHFFFAOYSA-N;132.17;1.09;;;;;DOPC;MDCG;27;0;"MARTINI bead: C3_N0";;;;;;;2.87;;0.37;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM458304;MM458304;CN=C1CCC2(CO)CN12;RYAAEZCPAVTNEG-UHFFFAOYSA-N;140.19;-0.14;;;;;DOPC;MDCG;27;1;"MARTINI bead: SNd_SP1";;;;;;;0.04;;-4.81;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM458305;MM458305;C#CC#CC=NN=CCO;NXQOXKGLJUBUGM-UHFFFAOYSA-N;134.14;-0.33;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_C4";;;;;;;1.09;;-0.38;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM458306;MM458306;OCC12CCC(=NO)N1C2;TZVZONPDLOOFEE-UHFFFAOYSA-N;142.16;-0.39;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP1_SP1";;;;;;;-0.79;;-3.13;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM458307;MM458307;C#CC#CC=NN=CCF;QLGVXHRDOOTKMM-UHFFFAOYSA-N;136.13;0.65;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_C4";;;;;;;1.37;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM458308;MM458308;ON=C1CCC2(CF)CN12;ONCAVROXYKQFEN-UHFFFAOYSA-N;144.15;0.59;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP1_SNa";;;;;;;0.04;;-2.54;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM458309;MM458309;C#CC#CC=NN=COC;RFZSJBUBBKZEIK-UHFFFAOYSA-N;134.14;0.28;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_C4";;;;;;;1.37;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM458310;MM458310;CCC12CNC(=NC)N1C2;GHMAWBMIPUUDHA-UHFFFAOYSA-N;139.2;0.04;;;;;DOPC;MDCG;27;1;"MARTINI bead: SP2_SP1";;;;;;;-1.06;;-7.58;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM458311;MM458311;C=CC=CC=CC#CCC;DSYUPHZLWGFADX-UHFFFAOYSA-N;132.21;2.7;;;;;DOPC;MDCG;27;0;"MARTINI bead: C2_C4";;;;;;;4.16;;0.44;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM458312;MM458312;CCC12CNC(=NN)N1C2;QPTMAVBOLYCZOX-UHFFFAOYSA-N;140.19;-0.72;;;;;DOPC;MDCG;27;1;"MARTINI bead: SP2_SP2";;;;;;;-1.34;;-6.65;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM458313;MM458313;C=CC=CC=CC#CCN;SPXKEMJIYJINHI-UHFFFAOYSA-N;133.19;1.25;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_C1";;;;;;;2.91;;0.45;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM458314;MM458314;CN=C1NCC2(CO)CN12;ULGLYRQRKJMMCE-UHFFFAOYSA-N;141.17;-1.38;;;;;DOPC;MDCG;27;1;"MARTINI bead: SP1_SP3";;;;;;;-1.93;;-7.74;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM458315;MM458315;C=CC=CC=CC#CCF;GMPDVJAKMGQRIP-UHFFFAOYSA-N;136.17;2.26;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_C1";;;;;;;3.68;;0.46;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM458316;MM458316;CCC12COC(=NC)N1C2;HPTZKMFBIGLNKG-UHFFFAOYSA-N;140.19;0.47;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP1_SP1";;;;;;;-0.79;;-3.13;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM458317;MM458317;CCC#CC=CC=CC=O;WCXROVXRXAYIKF-UHFFFAOYSA-N;134.18;1.71;;;;;DOPC;MDCG;27;0;"MARTINI bead: C3_Na";;;;;;;2.57;;0.45;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM458318;MM458318;CCNN=CC(C)F;MNDMOBBFARBYGU-UHFFFAOYSA-N;118.16;0.94;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_C5";;;;;;;0.81;;-0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM458319;MM458319;CCC#CC=CC=CC#N;BVRJYDDMGPZGOH-UHFFFAOYSA-N;131.18;2.04;;;;;DOPC;MDCG;27;0;"MARTINI bead: C3_N0";;;;;;;2.87;;0.37;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM458320;MM458320;CCC12COC(=NO)N1C2;VCCMGEMZYVQPJO-UHFFFAOYSA-N;142.16;0.23;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP1_SP2";;;;;;;-1.06;;-3.82;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM458321;MM458321;C=NN=CC=CC#CCC;NBAJHRDCLYZPES-UHFFFAOYSA-N;134.18;1.64;;;;;DOPC;MDCG;27;0;"MARTINI bead: C2_N0";;;;;;;3.13;;0.3;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM458322;MM458322;C=NNC(C)C#CC;MIEXRTNJOILEBX-UHFFFAOYSA-N;110.16;0.6;;;;;DOPC;MDCG;27;0;"MARTINI bead: N0_Nd";;;;;;;1.17;;-1.04;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM458323;MM458323;C=NN=CC=CC#CCN;IFXJZBVEILLHQZ-UHFFFAOYSA-N;135.17;0.19;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_C5";;;;;;;1.64;;-1.25;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM458324;MM458324;OCC12COC(=NO)N1C2;JKCOQNGLGOWQPW-UHFFFAOYSA-N;144.13;-1.19;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP2_SP2";;;;;;;-1.34;;-4.31;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM458325;MM458325;C=NN=CC=CC#CCO;CPSCSNXPMGHMTK-UHFFFAOYSA-N;136.15;0.22;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda_C5";;;;;;;1.64;;0.05;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM458326;MM458326;C=CC12CCC(=CC)C1C2;XTTCIIMWMJGNSW-UHFFFAOYSA-N;134.22;2.92;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC1_SC4";;;;;;;4.24;;0.42;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM458327;MM458327;C=NN=CC=CC#CCF;ZYUKCBDTZDRSKJ-UHFFFAOYSA-N;138.15;1.2;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_C5";;;;;;;1.64;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM458328;MM458328;O=CC12CCC(=CF)C1C2;QBMAAYBVLBFFCT-UHFFFAOYSA-N;140.16;1.84;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC4_SNa";;;;;;;2.2;;0.34;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM458329;MM458329;C=CC=NN=CC#CCN;YGSFNZLJCIJROF-UHFFFAOYSA-N;135.17;0.19;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_N0";;;;;;;1.17;;-2.23;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM458330;MM458330;C=CC12CCC(=NN)C1C2;GDERXTCTJHPJHJ-UHFFFAOYSA-N;136.2;1.29;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNd_SC4";;;;;;;2.2;;0.32;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM458331;MM458331;C=CC=NN=CC#CCO;DNCQGCCQKPZQGL-UHFFFAOYSA-N;136.15;0.22;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda_N0";;;;;;;1.17;;-1.13;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM458332;MM458332;O=CC12CCC(=NO)C1C2;DGWNGVLGDQNSFE-UHFFFAOYSA-N;139.15;0.82;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNda_SNa";;;;;;;0.87;;-1.99;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM458333;MM458333;C=CC=NN=CC#CCF;DFRLRWYXIDVLMW-UHFFFAOYSA-N;138.15;1.2;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_C5";;;;;;;1.64;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM458334;MM458334;C=CC12CNC(=NC)C1C2;GGAYHTRFLHDNQA-UHFFFAOYSA-N;136.2;0.81;;;;;DOPC;MDCG;27;1;"MARTINI bead: SNd_SP1";;;;;;;0.04;;-6.55;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM458335;MM458335;CCC#CC=NN=CC=O;ATKSNJMOPDDBET-UHFFFAOYSA-N;136.15;0.66;;;;;DOPC;MDCG;27;0;"MARTINI bead: C3_P1";;;;;;;1.74;;0.29;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM458336;MM458336;CN=C1NCC2(C=O)CC12;GIQLBRRJFNUGOF-UHFFFAOYSA-N;138.17;-0.18;;;;;DOPC;MDCG;27;1;"MARTINI bead: SNd_SP2";;;;;;;-0.24;;-6.91;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM458337;MM458337;CCC#CC=NN=CC#N;QHUPXGVFXGMGBP-UHFFFAOYSA-N;133.15;0.98;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_N0";;;;;;;1.94;;0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM458338;MM458338;CON=CCOC=O;NOSCWQINUSSEBR-UHFFFAOYSA-N;117.1;-0.21;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_Na";;;;;;;-0.24;;-3.24;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM458339;MM458339;N#CC=NN=CC#CCF;LCMGIPNMGRAURV-UHFFFAOYSA-N;137.12;0.54;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_N0";;;;;;;1.17;;-1.18;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM458340;MM458340;C=CC12COC(=CC)C1C2;GYCZUNFSPAFTCM-UHFFFAOYSA-N;136.19;2.11;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC5_SN0";;;;;;;1.94;;0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM458341;MM458341;C=CC#CC=CC=CC=C;BIJBGIPTRAJQAH-UHFFFAOYSA-N;130.19;2.47;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4_C4";;;;;;;3.53;;0.53;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM458342;MM458342;CC=C1OCC2(C=O)CC12;SORIPSUVUZJYBP-UHFFFAOYSA-N;138.17;1.13;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC5_SP1";;;;;;;0.81;;-0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM458343;MM458343;C=CC=CC=CC#CC=O;ZNRIZFYSIUUGDG-UHFFFAOYSA-N;132.16;1.49;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1_P1";;;;;;;2.08;;0.48;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM458344;MM458344;CC1=NNC(C)(C=O)C1;OGKCRYYPEMAEGS-UHFFFAOYSA-N;126.16;0.31;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP1_SNda";;;;;;;0.04;;-2.73;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM458345;MM458345;C=CC#CC=CC=CC#N;QCRACVJXEPFWMV-UHFFFAOYSA-N;129.16;1.81;;;;;DOPC;MDCG;27;0;"MARTINI bead: N0_C5";;;;;;;1.94;;0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM458346;MM458346;C=CC12COC(=NO)C1C2;BNWCGLKPBOLCNM-UHFFFAOYSA-N;139.15;1;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP1_SN0";;;;;;;0.34;;-1.53;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM458347;MM458347;N#CC=CC=CC#CC=O;NMWLFWWQGOSELM-UHFFFAOYSA-N;131.13;0.82;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_C5";;;;;;;0.81;;-0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM458348;MM458348;O=CC12COC(=NO)C1C2;YTOKGIDMSZWNIC-UHFFFAOYSA-N;141.13;0.01;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP1_SP1";;;;;;;-0.79;;-3.13;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM458349;MM458349;C=CC#CC=CC=NN=C;JVDPPDATQVWQII-UHFFFAOYSA-N;132.17;1.42;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4_C5";;;;;;;2.97;;0.45;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM458350;MM458350;C=CC12CC1C(=CC)CN2;QKVMFFNEUVUBCJ-UHFFFAOYSA-N;135.21;1.48;;;;;DOPC;MDCG;27;1;"MARTINI bead: SN0_SNd";;;;;;;1.17;;-3.15;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM458351;MM458351;C=NN=CC=CC#CC=O;NROIAGIVOHGJRC-UHFFFAOYSA-N;134.14;0.43;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_C5";;;;;;;2.41;;0.64;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM458352;MM458352;C=CC12CC1C(=CF)CN2;ABAFWQWHIXPCFO-UHFFFAOYSA-N;139.17;1.39;;;;;DOPC;MDCG;27;1;"MARTINI bead: SP1_SNd";;;;;;;0.04;;-4.25;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM458353;MM458353;C=NN=CC=CC#CC#N;MBINLFAJBRGTAU-UHFFFAOYSA-N;131.14;0.76;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_N0";;;;;;;1.94;;0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM458354;MM458354;CC=C1CNC2(C#N)CC12;OYPPICZGJISLPP-UHFFFAOYSA-N;134.18;0.82;;;;;DOPC;MDCG;27;0;"MARTINI bead: SN0_SP1";;;;;;;0.34;;-1.53;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM458355;MM458355;C=CC#CC=NN=CC=C;QITLCIZOBZLRIA-UHFFFAOYSA-N;132.17;1.42;;;;;DOPC;MDCG;27;0;"MARTINI bead: N0_C4";;;;;;;2.5;;0.44;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM458356;MM458356;N#CC12CC1C(=CF)CN2;BYVIFEBCFKIGHN-UHFFFAOYSA-N;138.15;0.73;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP1_SP1";;;;;;;-0.79;;-3.13;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM458357;MM458357;C=CC=NN=CC#CC=O;DAPKLQOLILSXKM-UHFFFAOYSA-N;134.14;0.43;;;;;DOPC;MDCG;27;0;"MARTINI bead: N0_C5";;;;;;;1.94;;0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM458358;MM458358;N#CC12CC1C(=NO)CN2;PNEWLCKJUGSRFC-UHFFFAOYSA-N;137.14;-0.3;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP3_SP1";;;;;;;-1.93;;-4.72;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM458359;MM458359;C=CC=NN=CC#CC#N;FUJCENRZSHWWAI-UHFFFAOYSA-N;131.14;0.76;;;;;DOPC;MDCG;27;0;"MARTINI bead: N0_N0";;;;;;;1.47;;-0.05;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM458360;MM458360;C=CC12CC1C(=NC)NN2;BVKZFSHHECNVQC-UHFFFAOYSA-N;137.19;0.07;;;;;DOPC;MDCG;27;1;"MARTINI bead: SP2_SP2";;;;;;;-1.34;;-6.55;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM458361;MM458361;C=CC#CC=NN=CC=O;NXUNRANBIDVTKA-UHFFFAOYSA-N;134.14;0.43;;;;;DOPC;MDCG;27;0;"MARTINI bead: N0_Na";;;;;;;1.17;;-1.18;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM458362;MM458362;C=CCNN=CC(C)F;ZTURODQUGGKWBB-UHFFFAOYSA-N;130.17;1.11;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_P2";;;;;;;0.54;;-1.09;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM458363;MM458363;C=CC#CC=NN=CC#N;OPRXXTFRQZSLIV-UHFFFAOYSA-N;131.14;0.76;;;;;DOPC;MDCG;27;0;"MARTINI bead: N0_N0";;;;;;;1.47;;-0.05;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM458364;MM458364;CN=C1NNC2(C=O)CC12;MZQIHJJFVUJQBO-UHFFFAOYSA-N;139.16;-0.92;;;;;DOPC;MDCG;27;1;"MARTINI bead: SP2_SP2";;;;;;;-1.34;;-6.45;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM458365;MM458365;O=CC#CC=NN=CC=O;WMNIARMRLKMUPS-UHFFFAOYSA-N;136.11;-0.56;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_C5";;;;;;;0.81;;-0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM458366;MM458366;CN=C1NNC2(C#N)CC12;PJDVIVRJARRMRJ-UHFFFAOYSA-N;136.16;-0.6;;;;;DOPC;MDCG;27;1;"MARTINI bead: SP2_SP2";;;;;;;-1.34;;-6.23;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM458367;MM458367;N#CC#CC=NN=CC=O;NMNGICJBFVANGP-UHFFFAOYSA-N;133.11;-0.23;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_N0";;;;;;;1.17;;-1.18;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM458368;MM458368;N#CC#CC=NN=CC#N;WGGOJNISMMLIPX-UHFFFAOYSA-N;130.11;0.09;;;;;DOPC;MDCG;27;0;"MARTINI bead: N0_N0";;;;;;;1.47;;-0.05;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM458369;MM458369;O=CC12CC1C(=NO)NN2;LQJBQIWMQIDCBP-UHFFFAOYSA-N;141.13;-1.16;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP3_SP2";;;;;;;-2.2;;-5.19;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM458370;MM458370;C#CC#CC=CC=CC=C;AWPZQHADKKVOME-UHFFFAOYSA-N;128.17;1.92;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4_C4";;;;;;;3.53;;0.53;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM458371;MM458371;N#CC12CC1C(=NO)NN2;ZCXUCAPEPPUDSR-UHFFFAOYSA-N;138.13;-0.84;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP3_SP2";;;;;;;-2.2;;-5.19;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM458372;MM458372;C#CC#CC=CC=CC=O;YEASOYLMPDNNMV-UHFFFAOYSA-N;130.15;0.93;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_C4";;;;;;;2.2;;0.34;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM458373;MM458373;C=CC12CC1C(=CC)CO2;XOBISPFIXCTPEN-UHFFFAOYSA-N;136.19;1.91;;;;;DOPC;MDCG;27;0;"MARTINI bead: SN0_SNa";;;;;;;1.17;;-1.18;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM458374;MM458374;C#CC#CC=CC=NN=C;TTXZCBOLLLMMLZ-UHFFFAOYSA-N;130.15;0.87;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_C4";;;;;;;2.97;;0.45;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM458375;MM458375;C=CC12CC1C(=CF)CO2;YIYVUISJRGAMRK-UHFFFAOYSA-N;140.16;1.81;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNa_SNa";;;;;;;0.87;;-2.22;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM458376;MM458376;C#CC#CC=NN=CC=C;CMDDJRATGYCZRW-UHFFFAOYSA-N;130.15;0.87;;;;;DOPC;MDCG;27;0;"MARTINI bead: N0_C4";;;;;;;2.5;;0.44;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM458377;MM458377;CC=C1COC2(C=O)CC12;LFYQFSKZRTVKNA-UHFFFAOYSA-N;138.17;0.92;;;;;DOPC;MDCG;27;0;"MARTINI bead: SN0_SNa";;;;;;;1.17;;-1.18;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM458378;MM458378;C#CC#CC=NN=CC=O;QHWSYPYJHUNTCX-UHFFFAOYSA-N;132.12;-0.12;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_C4";;;;;;;1.37;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM458379;MM458379;CC=C1COC2(C#N)CC12;FCZDYNRAGWNBQL-UHFFFAOYSA-N;135.17;1.25;;;;;DOPC;MDCG;27;0;"MARTINI bead: SN0_SNa";;;;;;;1.17;;-1.18;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM458380;MM458380;C#CC#CC=NN=CC#N;AZWIORKMQQMECF-UHFFFAOYSA-N;129.12;0.2;;;;;DOPC;MDCG;27;0;"MARTINI bead: N0_N0";;;;;;;1.47;;-0.05;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM458381;MM458381;O=CC12CC1C(=CF)CO2;JBGNXSPZNUWIJU-UHFFFAOYSA-N;142.13;0.83;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNa_SNa";;;;;;;0.87;;-2.22;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM458382;MM458382;C#CC=CC=CC#CCC;RXEBXYZMDXCFND-UHFFFAOYSA-N;130.19;2.15;;;;;DOPC;MDCG;27;0;"MARTINI bead: C3_C4";;;;;;;3.9;;0.47;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM458383;MM458383;N#CC12CC1C(=CF)CO2;HBZOSLNFBPNNQT-UHFFFAOYSA-N;139.13;1.15;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNa_SNa";;;;;;;0.87;;-2.22;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM458384;MM458384;C#CC=CC=CC#CCN;QHAYPZBSBWVRDA-UHFFFAOYSA-N;131.18;0.69;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_C4";;;;;;;2.2;;-0.79;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM458385;MM458385;C=CC12CC1C(=NN)CO2;KVEPXNCWSSMGHH-UHFFFAOYSA-N;138.17;0.28;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP1_SNa";;;;;;;0.04;;-2.54;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM458386;MM458386;C#CC=CC=CC#CCO;IMCXRELNKLIAAN-UHFFFAOYSA-N;132.16;0.73;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_C4";;;;;;;1.09;;-0.38;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM458387;MM458387;C=CC12CC1C(=NO)CO2;KYIAHMNTIJRJNQ-UHFFFAOYSA-N;139.15;0.79;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP2_SNa";;;;;;;-0.24;;-3.24;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM458388;MM458388;C#CC=CC=CC#CCF;LDVROXDBJWFQJW-UHFFFAOYSA-N;134.15;1.7;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_C4";;;;;;;2.2;;0.34;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM458389;MM458389;O=CC12CC1C(=NO)CO2;GQUOLHWVKVMJFE-UHFFFAOYSA-N;141.13;-0.2;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP2_SNa";;;;;;;-0.24;;-3.24;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM458390;MM458390;C#CC=NN=CC#CCC;IRMLXBXLIJAKKH-UHFFFAOYSA-N;132.17;1.09;;;;;DOPC;MDCG;27;0;"MARTINI bead: C3_P1";;;;;;;1.74;;0.29;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM458391;MM458391;N#CC12CC1C(=NO)CO2;QIYNYJWHJLVZKH-UHFFFAOYSA-N;138.13;0.13;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP2_SNa";;;;;;;-0.24;;-3.24;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM458392;MM458392;C#CC=NN=CC#CCF;RXXUSKWRXBJJBD-UHFFFAOYSA-N;136.13;0.65;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_C5";;;;;;;1.64;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM458393;MM458393;CC12CC1N=C(C=O)N2;BYHXQUFQABEZMX-UHFFFAOYSA-N;124.14;-0.28;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC5_SP2";;;;;;;0.54;;-1.09;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM458394;MM458394;C#CC=CC=CC#CC=C;JHCHLBLSGCVHEG-UHFFFAOYSA-N;128.17;1.92;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4_C4";;;;;;;3.53;;0.53;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM458395;MM458395;C=CC12CC1C(=NO)NO2;CWRRCXSOMNDENC-UHFFFAOYSA-N;140.14;0.25;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP2_SNa";;;;;;;-0.24;;-3.24;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM458396;MM458396;C#CC=CC=CC#CC#N;FAILHHRPQHSNBR-UHFFFAOYSA-N;127.15;1.26;;;;;DOPC;MDCG;27;0;"MARTINI bead: N0_N0";;;;;;;1.47;;-0.05;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM458397;MM458397;O=CC12CC1C(=NO)NO2;CBCDWMSGCOBIMR-UHFFFAOYSA-N;142.11;-0.73;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP2_SP2";;;;;;;-1.34;;-4.31;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM458398;MM458398;C#CC=NN=CC#CC=C;SUZVQFKWUOYULB-UHFFFAOYSA-N;130.15;0.87;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4_P1";;;;;;;1.37;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM458399;MM458399;N#CC12CC1C(=NO)NO2;JCRKBZWYRCUBDG-UHFFFAOYSA-N;139.11;-0.41;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP2_SP2";;;;;;;-1.34;;-4.31;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM458400;MM458400;C#CC=NN=CC#CC=O;JDFIFMMQBMECRR-UHFFFAOYSA-N;132.12;-0.12;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_N0";;;;;;;1.17;;-1.18;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM458401;MM458401;C=CC12CCC(=CC)C1N2;GONGRHKCARBCRO-UHFFFAOYSA-N;135.21;1.62;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC1_SNd";;;;;;;2.91;;0.65;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM458402;MM458402;C=CC12CCC(=CF)C1N2;WKYVGZRPHNDAKS-UHFFFAOYSA-N;139.17;1.53;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC4_SNd";;;;;;;2.2;;0.32;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM458403;MM458403;C#CC=NN=CC#CC#N;KMAMAMURYGVITO-UHFFFAOYSA-N;129.12;0.2;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_N0";;;;;;;1.94;;0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM458404;MM458404;C#CC#CC=CC=CC#C;XFIQCEJXKJSMEY-UHFFFAOYSA-N;126.16;1.37;;;;;DOPC;MDCG;27;0;"MARTINI bead: N0_C4";;;;;;;2.5;;0.44;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM458405;MM458405;CC=C1CCC2(C#N)NC12;TZAKJQQIYPIVTF-UHFFFAOYSA-N;134.18;0.96;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC1_SP1";;;;;;;2.08;;0.48;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM458406;MM458406;C#CC#CC=NN=CC#C;MPMSHOZWAAMZMI-UHFFFAOYSA-N;128.13;0.31;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_C4";;;;;;;1.37;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM458407;MM458407;O=CC12CCC(=CF)C1N2;BZZPQZWUYSZOSA-UHFFFAOYSA-N;141.15;0.54;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC4_SP1";;;;;;;1.37;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM458408;MM458408;CCC#CC=CC#CCC;KTKOCHUTDJYUSL-UHFFFAOYSA-N;132.21;2.37;;;;;DOPC;MDCG;27;0;"MARTINI bead: C3_C3";;;;;;;4.27;;0.2;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM458409;MM458409;O=CC12CCC(=NO)C1N2;SFXUENOHEYVEOB-UHFFFAOYSA-N;140.14;-0.48;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNda_SP1";;;;;;;0.04;;-2.73;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM458410;MM458410;CCC#CC=CC#CCN;HMVRZBUTXUYLGR-UHFFFAOYSA-N;133.19;0.92;;;;;DOPC;MDCG;27;1;"MARTINI bead: C3_Nd";;;;;;;2.57;;-0.12;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM458411;MM458411;C=CC12CNC(=NO)C1N2;BHIZSIDGMYQVPK-UHFFFAOYSA-N;139.16;-0.73;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP1_SP2";;;;;;;-1.06;;-3.82;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM458412;MM458412;CCC#CC=CC#CCO;SDBSRQDEXNNZHB-UHFFFAOYSA-N;134.18;0.95;;;;;DOPC;MDCG;27;0;"MARTINI bead: C2_P2";;;;;;;1.72;;0.27;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM458413;MM458413;CN=C1NCC2(C=O)NC12;IIRXURBYCJASST-UHFFFAOYSA-N;139.16;-1.47;;;;;DOPC;MDCG;27;1;"MARTINI bead: SNd_SP3";;;;;;;-1.1;;-5.67;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM458414;MM458414;CCC#CC=CC#CCF;GFKSRUBFWCJWTD-UHFFFAOYSA-N;136.17;1.93;;;;;DOPC;MDCG;27;0;"MARTINI bead: C2_Na";;;;;;;2.83;;0.35;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM458415;MM458415;CC=C1OCC2(C=O)NC12;AXUJTVNEFGPPTF-UHFFFAOYSA-N;139.15;-0.17;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC5_SP2";;;;;;;0.54;;-1.09;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM458416;MM458416;NCC#CC=CC#CCN;OMKBEDOIAHEJJY-UHFFFAOYSA-N;134.18;-0.53;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_Nd";;;;;;;0.87;;-3.75;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM458417;MM458417;O=CC12COC(=CF)C1N2;GMAZOSCWFVFPAQ-UHFFFAOYSA-N;143.12;-0.26;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNa_SP2";;;;;;;-0.24;;-3.24;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM458418;MM458418;NCC#CC=CC#CCO;ZVCOMXNFSOPBMM-UHFFFAOYSA-N;135.17;-0.5;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_Nda";;;;;;;0.87;;-3.26;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM458419;MM458419;CNC1(C=O)C=NNC1;PVLHSQVOOUQZQT-UHFFFAOYSA-N;127.15;-1.27;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP1_SP1";;;;;;;-0.79;;-3.13;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM458420;MM458420;O=CC12COC(=NO)C1N2;QVTXHTVAPCEMBH-UHFFFAOYSA-N;142.11;-1.29;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP1_SP2";;;;;;;-1.06;;-3.82;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM458421;MM458421;NCC#CC=CC#CCF;KACMJDCBVRYJIG-UHFFFAOYSA-N;137.16;0.48;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_Na";;;;;;;0.87;;-3.22;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM458422;MM458422;OCC#CC=CC#CCO;ABHHGTXHTSZPPC-UHFFFAOYSA-N;136.15;-0.47;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda_Nda";;;;;;;0.87;;-2.07;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM458423;MM458423;C=CC12CCC(=CC)C1O2;NEOSKGVILXEWFT-UHFFFAOYSA-N;136.19;2.05;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC1_SNa";;;;;;;2.91;;0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM458424;MM458424;C=CC12CCC(=CF)C1O2;ZEFFWTKCKQOCOE-UHFFFAOYSA-N;140.16;1.96;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC4_SNa";;;;;;;2.2;;0.34;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM458425;MM458425;OCC#CC=CC#CCF;BKSRYNRVLSGYGF-UHFFFAOYSA-N;138.14;0.51;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda_C5";;;;;;;1.64;;0.05;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM458426;MM458426;CC=C1CCC2(C=O)OC12;ACQJDQPHTWSWAJ-UHFFFAOYSA-N;138.17;1.06;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC1_SNa";;;;;;;2.91;;0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM458427;MM458427;FCC#CC=CC#CCF;NHDCLXRHFPCOGT-UHFFFAOYSA-N;140.13;1.49;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_C5";;;;;;;2.41;;0.64;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM458428;MM458428;CC=C1CCC2(C#N)OC12;FOMRRUWLKWGJSI-UHFFFAOYSA-N;135.17;1.39;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC1_SNa";;;;;;;2.91;;0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM458429;MM458429;C=CC#CC=CC#CCC;LLNSEKWOCYUNIP-UHFFFAOYSA-N;130.19;2.15;;;;;DOPC;MDCG;27;0;"MARTINI bead: C3_C4";;;;;;;3.9;;0.47;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM458430;MM458430;CCC#CC=CC#CC=O;SYGQHWRNCBHHFF-UHFFFAOYSA-N;132.16;1.16;;;;;DOPC;MDCG;27;0;"MARTINI bead: C2_P1";;;;;;;2;;0.29;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM458431;MM458431;O=CC12CCC(=CF)C1O2;UNIZWIDRCQUQET-UHFFFAOYSA-N;142.13;0.97;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC4_SNa";;;;;;;2.2;;0.34;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM458432;MM458432;CCC#CC=CC#CC#N;JFOWRSKTGGMAGH-UHFFFAOYSA-N;129.16;1.48;;;;;DOPC;MDCG;27;0;"MARTINI bead: C3_N0";;;;;;;2.87;;0.37;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM458433;MM458433;N#CC12CCC(=CF)C1O2;SARHZAYXWMBHQA-UHFFFAOYSA-N;139.13;1.29;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC4_SNa";;;;;;;2.2;;0.34;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM458434;MM458434;C=CC#CC=CC#CCN;AYYBNUNEDSIRGD-UHFFFAOYSA-N;131.18;0.69;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_C4";;;;;;;2.2;;-0.78;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM458435;MM458435;C=CC12CCC(=NN)C1O2;OEUNBXSHWVEJKW-UHFFFAOYSA-N;138.17;0.42;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNd_SNa";;;;;;;0.87;;-1.88;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM458436;MM458436;C=CC#CC=CC#CCO;KSTMJOJOPDGMOA-UHFFFAOYSA-N;132.16;0.73;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_C4";;;;;;;1.09;;-0.38;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM458437;MM458437;C=CC12CCC(=NO)C1O2;CNZWLNUJPTZJTF-UHFFFAOYSA-N;139.15;0.93;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNda_SNa";;;;;;;0.87;;-1.99;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM458438;MM458438;O=CC#CC=CC#CCO;MORCBQBCYSPRBJ-UHFFFAOYSA-N;134.13;-0.26;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda_C5";;;;;;;1.64;;0.05;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM458439;MM458439;O=CC12CCC(=NO)C1O2;VVVCQEFHCBWCKH-UHFFFAOYSA-N;141.13;-0.05;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNda_SNa";;;;;;;0.87;;-1.99;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM458440;MM458440;N#CC#CC=CC#CCO;SKZVZDYOODGKEH-UHFFFAOYSA-N;131.13;0.07;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda_N0";;;;;;;1.17;;-1.13;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM458441;MM458441;N#CC12CCC(=NO)C1O2;XNBIFJGUKCMKNM-UHFFFAOYSA-N;138.13;0.27;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNda_SNa";;;;;;;0.87;;-1.99;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM458442;MM458442;C=CC#CC=CC#CCF;GRUHOJYJLZBRNE-UHFFFAOYSA-N;134.15;1.7;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_C4";;;;;;;2.2;;0.34;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM458443;MM458443;O=CC12CNC(=NO)C1O2;KHPBKGHVNZUPMN-UHFFFAOYSA-N;142.11;-1.29;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP1_SP2";;;;;;;-1.06;;-3.82;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM458444;MM458444;O=CC#CC=CC#CCF;IUXQNCMRALLZDH-UHFFFAOYSA-N;136.13;0.72;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_C5";;;;;;;2.41;;0.64;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM458445;MM458445;CCC1CC(C#N)=NN1;WKVJTCCBBVOVEH-UHFFFAOYSA-N;123.16;0.64;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNd_SP1";;;;;;;0.04;;-2.63;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM458446;MM458446;N#CC#CC=CC#CCF;WRCZHZGTYPSXGK-UHFFFAOYSA-N;133.13;1.04;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_N0";;;;;;;1.17;;-1.18;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM458447;MM458447;C=CC12COC(=NO)C1O2;HWEISWAYJLALFV-UHFFFAOYSA-N;141.13;0.13;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP1_SNa";;;;;;;0.04;;-2.54;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM458448;MM458448;C#CC#CC=CC#CCC;IRAWRQIKRUVJNS-UHFFFAOYSA-N;128.17;1.59;;;;;DOPC;MDCG;27;0;"MARTINI bead: C3_C4";;;;;;;3.9;;0.47;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM458449;MM458449;O=CC12COC(=NO)C1O2;LJAOKHMQPXDVMP-UHFFFAOYSA-N;143.1;-0.86;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP1_SP1";;;;;;;-0.79;;-3.13;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM458450;MM458450;C#CC#CC=CC#CCN;YIYKLETVQQOPFI-UHFFFAOYSA-N;129.16;0.14;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_C4";;;;;;;2.2;;-0.78;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM458451;MM458451;C=CC12CCC(=NC)N1C2;KRICTKKEZAHTLD-UHFFFAOYSA-N;136.2;1.05;;;;;DOPC;MDCG;27;1;"MARTINI bead: SNd_SN0";;;;;;;1.17;;-3.27;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM458452;MM458452;C#CC#CC=CC#CCO;NGHOMSNLBQQVLX-UHFFFAOYSA-N;130.15;0.17;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_C4";;;;;;;1.09;;-0.38;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM458453;MM458453;CCC(=O)C(C)N1CC1;IUTCWSMRVJHKDX-UHFFFAOYSA-N;127.19;0.67;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_SNd";;;;;;;0.87;;-1.88;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM458454;MM458454;C#CC#CC=CC#CCF;RMEIHERBOZGIIR-UHFFFAOYSA-N;132.14;1.15;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_C4";;;;;;;2.2;;0.34;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM458455;MM458455;CN=C1CCC2(C=O)CN12;HMEGNGPFINHIDR-UHFFFAOYSA-N;138.17;0.06;;;;;DOPC;MDCG;27;1;"MARTINI bead: SNd_SP1";;;;;;;0.04;;-3.88;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM458456;MM458456;C=CC#CC=CC#CC=C;LRRRNXFHJSUJAQ-UHFFFAOYSA-N;128.17;1.92;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4_C4";;;;;;;3.53;;0.53;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM458457;MM458457;O=CC12CCC(=NO)N1C2;WBGKIFHCYHQKFI-UHFFFAOYSA-N;140.14;-0.18;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP1_SP1";;;;;;;-0.79;;-3.13;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM458458;MM458458;C=CC#CC=CC#CC=O;FPRVXRLZKBPRHQ-UHFFFAOYSA-N;130.15;0.93;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4_P1";;;;;;;1.37;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM458459;MM458459;N#CC12CCC(=NO)N1C2;OJMPVDVPFRZQGX-UHFFFAOYSA-N;137.14;0.15;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP1_SP1";;;;;;;-0.79;;-3.13;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM458460;MM458460;C=CC#CC=CC#CC#N;ZGSHAEAZFRSJFS-UHFFFAOYSA-N;127.15;1.26;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4_N0";;;;;;;2.5;;0.44;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM458461;MM458461;CN=C1NCC2(C=O)CN12;RWBQVSUKQNSQLR-UHFFFAOYSA-N;139.16;-1.17;;;;;DOPC;MDCG;27;1;"MARTINI bead: SP1_SP3";;;;;;;-1.93;;-6.4;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM458462;MM458462;O=CC#CC=CC#CC=O;BMKFOKRIBFDGHK-UHFFFAOYSA-N;132.12;-0.05;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_C5";;;;;;;2.41;;0.64;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM458463;MM458463;CC(F)C=NNC(C)(C)C;XPNBJALZGKRAMS-UHFFFAOYSA-N;146.21;1.72;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_Nd";;;;;;;0.87;;-1.88;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM458464;MM458464;N#CC#CC=CC#CC=O;HDJACHIRQKEZSZ-UHFFFAOYSA-N;129.12;0.27;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_N0";;;;;;;1.94;;0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM458465;MM458465;C#CC12CC1C(=CC)CN2;JLMGOOIIZHFMMM-UHFFFAOYSA-N;133.19;0.93;;;;;DOPC;MDCG;27;1;"MARTINI bead: SN0_SNd";;;;;;;1.17;;-2.61;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM458466;MM458466;C#CC#CC=CC#CC=C;QFPSJGSAQVJCSH-UHFFFAOYSA-N;126.16;1.37;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4_C4";;;;;;;3.53;;0.53;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM458467;MM458467;C#CC12CC1C(=CF)CN2;OIZCQTGQBQGJAI-UHFFFAOYSA-N;137.16;0.83;;;;;DOPC;MDCG;27;1;"MARTINI bead: SP1_SNd";;;;;;;0.04;;-3.72;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM458468;MM458468;C#CC#CC=CC#CC=O;FKLIEHNBTIFJSF-UHFFFAOYSA-N;128.13;0.38;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_C4";;;;;;;1.37;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM458469;MM458469;C#CC12CC1C(=NC)NN2;BHBVLSCLVFTYPZ-UHFFFAOYSA-N;135.17;-0.49;;;;;DOPC;MDCG;27;1;"MARTINI bead: SP2_SP2";;;;;;;-1.34;;-6.29;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM458470;MM458470;C#CC#CC=CC#CC#N;DPSJMBLOQYPIHK-UHFFFAOYSA-N;125.13;0.71;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4_N0";;;;;;;2.5;;0.44;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM458471;MM458471;CC(F)C=NNCC(C)C;VDZPITHVCBNYTF-UHFFFAOYSA-N;146.21;1.58;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nd_Na";;;;;;;0.87;;-1.88;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM458472;MM458472;C#CC#CC=CC#CC#C;DKMKPHNVAVANTK-UHFFFAOYSA-N;124.14;0.82;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4_C4";;;;;;;3.53;;0.53;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM458473;MM458473;C#CC12CC1C(=CC)CO2;BPAAFELNSJBKAJ-UHFFFAOYSA-N;134.18;1.35;;;;;DOPC;MDCG;27;0;"MARTINI bead: SN0_SNa";;;;;;;1.17;;-1.18;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM458474;MM458474;CNCCC#CCCCF;MWNWYJCMYVKRBP-UHFFFAOYSA-N;143.21;1.35;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_C5";;;;;;;1.64;;-2.49;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM458475;MM458475;C#CC12CC1C(=CF)CO2;XWNIINRZYYLJMX-UHFFFAOYSA-N;138.14;1.26;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNa_SNa";;;;;;;0.87;;-2.22;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM458476;MM458476;CCOCC#CCCOC;XBJBOXPOUYVCHQ-UHFFFAOYSA-N;142.2;1.06;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_Na";;;;;;;0.87;;-2.22;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM458477;MM458477;CCOCC#CCOCC;YNNSPZBSWUFKKO-UHFFFAOYSA-N;142.2;1.06;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_Na";;;;;;;0.87;;-2.22;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM458478;MM458478;C#CC12CC1C(=NN)CO2;ZELYDDYIGJAFPK-UHFFFAOYSA-N;136.15;-0.28;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP1_SNa";;;;;;;0.04;;-2.54;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM458479;MM458479;C#CC12CC1C(=NO)CO2;BYOKZHVBUZMFGR-UHFFFAOYSA-N;137.14;0.24;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP2_SNa";;;;;;;-0.24;;-3.24;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM458480;MM458480;C=CCCC#CCCCC;DFBWTTIKFTYUTF-UHFFFAOYSA-N;136.24;3.15;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1_C3";;;;;;;4.61;;0.31;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM458481;MM458481;C=C(C)CNN=CC(C)F;NAJREJGIQMJTGL-UHFFFAOYSA-N;144.19;1.5;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_P1";;;;;;;0.81;;-0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM458482;MM458482;NCCCC#CCNC=O;VLTOAZTYJZMCAK-UHFFFAOYSA-N;140.19;-0.53;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_P2";;;;;;;-0.24;;-5.91;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM458483;MM458483;NCCCC#CCOC=O;BWMIGCZWOXUUII-UHFFFAOYSA-N;141.17;-0.1;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1_N0";;;;;;;0.34;;-4.3;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM458484;MM458484;C#CC12CC1C(=NO)NO2;BONLBSLGGLCYFU-UHFFFAOYSA-N;138.13;-0.3;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP2_SP1";;;;;;;-1.06;;-3.82;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM458485;MM458485;C#CC12CCC(=CC)C1N2;LYIPLXFNHHXMRJ-UHFFFAOYSA-N;133.19;1.07;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC1_SNd";;;;;;;2.91;;0.64;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM458486;MM458486;O=COCC#CCCCO;FXGPNHIKHLEFMV-UHFFFAOYSA-N;142.15;-0.06;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_N0";;;;;;;0.34;;-1.53;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM458487;MM458487;CNCCC#CCOC=O;KJZHBCPZJIYLKI-UHFFFAOYSA-N;141.17;-0.23;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1_N0";;;;;;;0.34;;-4.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM458488;MM458488;C#CC12CCC(=CC)C1O2;REUSJJZRMSMFOS-UHFFFAOYSA-N;134.18;1.5;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC1_SNa";;;;;;;2.91;;0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM458489;MM458489;C#CC12CCC(=CF)C1O2;BHVBEVRDUIEQEP-UHFFFAOYSA-N;138.14;1.4;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC4_SNa";;;;;;;2.2;;0.34;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM458490;MM458490;C=COCC#CCCOC;CTUUILWSRSACEA-UHFFFAOYSA-N;140.18;1.19;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_Na";;;;;;;0.87;;-2.22;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM458491;MM458491;C#CC12CCC(=NN)C1O2;BUCPXHGTLNHZIM-UHFFFAOYSA-N;136.15;-0.13;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNd_SNa";;;;;;;0.87;;-1.88;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM458492;MM458492;C=NOCC#CCCOC;URRLDNHPRYKEQZ-UHFFFAOYSA-N;141.17;0.66;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_Na";;;;;;;0.87;;-2.22;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM458493;MM458493;C#CC12CCC(=NO)C1O2;MNDPBSCDVCDHQS-UHFFFAOYSA-N;137.14;0.38;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNda_SNa";;;;;;;0.87;;-1.99;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM458494;MM458494;CCNCC#CCNC=N;YHOOZDRAMDWFGL-UHFFFAOYSA-N;139.2;-0.2;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_P2";;;;;;;-0.24;;-6.13;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM458495;MM458495;CCC(C)NN=CC(C)F;PHYABGWGSKVWAK-UHFFFAOYSA-N;146.21;1.72;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nd_Na";;;;;;;0.87;;-1.88;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM458496;MM458496;C=CCCC#CCOCC;PVNATAUMEAANGL-UHFFFAOYSA-N;138.21;1.99;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_C3";;;;;;;2.57;;0.45;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM458497;MM458497;C#CC12CCC(=NO)N1C2;UKFFHMJDBMKUGG-UHFFFAOYSA-N;136.15;0.26;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP1_SN0";;;;;;;0.34;;-1.53;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM458498;MM458498;CCOCC#CCNC=N;HOWKKDUWXXVLOB-UHFFFAOYSA-N;140.19;0.22;;;;;DOPC;MDCG;27;1;"MARTINI bead: C4_P3";;;;;;;0.23;;-3.95;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM458499;MM458499;CCC1C=CC2(CN)CC12;CSYOMNFCVMYIGT-UHFFFAOYSA-N;137.23;1.55;;;;;DOPC;MDCG;27;1;"MARTINI bead: SC2_SNd";;;;;;;2.83;;-0.42;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM458500;MM458500;CCOCC#CCNC=O;QIAHQQDPAZZNKM-UHFFFAOYSA-N;141.17;-0.23;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4_P3";;;;;;;0.23;;-1.03;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM458501;MM458501;C=CC(C)NN=CC(C)F;NNLKQOUMWHHIDK-UHFFFAOYSA-N;144.19;1.49;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_Nd";;;;;;;0.87;;-1.88;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM458502;MM458502;C=COCC#CCOCC;AMZWWPOBFIIVTI-UHFFFAOYSA-N;140.18;1.19;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_Na";;;;;;;0.87;;-2.22;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM458503;MM458503;C=CC(C)CC(F)C=NN;DUIZSWXNKBYJQO-UHFFFAOYSA-N;144.19;1.48;;;;;DOPC;MDCG;27;0;"MARTINI bead: C3_Nda";;;;;;;2.57;;0.44;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM458504;MM458504;C=NOCC#CCOCC;OBCOCWMGTGJUAU-UHFFFAOYSA-N;141.17;0.66;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_Na";;;;;;;1.64;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM458505;MM458505;CCC12C=CC(OC)C1C2;DLNWCOFUNSZMKY-UHFFFAOYSA-N;138.21;1.99;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC3_SNa";;;;;;;2.57;;0.45;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM458506;MM458506;C#CCCC#CCCCC;IWIDILFDSIIOSB-UHFFFAOYSA-N;134.22;2.59;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1_C5";;;;;;;3.68;;0.46;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM458507;MM458507;C#CCCC#CCOCC;UVBWRHJGLDWHPP-UHFFFAOYSA-N;136.19;1.44;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_C5";;;;;;;1.64;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM458508;MM458508;CCC1C=CC2(OC)CC12;DNSYDAQGVSKTSS-UHFFFAOYSA-N;138.21;1.99;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC2_SC5";;;;;;;3.6;;0.34;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM458509;MM458509;C=CCCC#CCCC#N;OTYYXKOEUPGIJA-UHFFFAOYSA-N;133.19;2.26;;;;;DOPC;MDCG;27;0;"MARTINI bead: C3_N0";;;;;;;2.87;;0.37;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM458510;MM458510;COC1C=CC2(OC)CC12;MTPOUCTWRPHPGW-UHFFFAOYSA-N;140.18;0.98;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNa_SC5";;;;;;;1.64;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM458511;MM458511;N#CCCC#CCNC=O;JGXHHSZUSAFOIW-UHFFFAOYSA-N;136.15;0.04;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda_P1";;;;;;;0.04;;-2.73;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM458512;MM458512;CCN1N=CC2(CC)CC12;YXNGVEVKNCLEAI-UHFFFAOYSA-N;138.21;1.48;;;;;DOPC;MDCG;27;0;"MARTINI bead: SN0_SP1";;;;;;;0.34;;-1.53;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM458513;MM458513;CCN1N=CC2(CN)CC12;BBBZXXSJQWJKGO-UHFFFAOYSA-N;139.2;0.03;;;;;DOPC;MDCG;27;1;"MARTINI bead: SN0_SP1";;;;;;;0.34;;-3.64;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM458514;MM458514;C#CC1NN=CC1=C;OHMLUAWUEQJKQL-UHFFFAOYSA-N;106.13;0.13;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP1_SP1";;;;;;;-0.79;;-3.13;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM458515;MM458515;CCC(=O)C(C)=NN(C)C;ABVBDZYMOGGSAH-UHFFFAOYSA-N;142.2;0.9;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_P2";;;;;;;0.54;;-1.09;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM458516;MM458516;N#CCCC#CCOC=O;PTIJVRBLEXJYAV-UHFFFAOYSA-N;137.14;0.47;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_N0";;;;;;;0.34;;-1.53;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM458517;MM458517;CCN1C=NC2(CC)CC12;QMWJPFOZPXLGDO-UHFFFAOYSA-N;138.21;1.27;;;;;DOPC;MDCG;27;1;"MARTINI bead: SNd_SN0";;;;;;;1.17;;-2.34;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM458518;MM458518;C=NOCC#CCCC#N;BZIJOQIHSLDQQD-UHFFFAOYSA-N;136.15;0.93;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_C5";;;;;;;0.81;;-0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM458519;MM458519;CCN1C=NC2(CN)CC12;TXBHXOYEAFQSAP-UHFFFAOYSA-N;139.2;-0.18;;;;;DOPC;MDCG;27;1;"MARTINI bead: SNd_SP2";;;;;;;-0.24;;-4.23;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM458520;MM458520;C=COCC#CCNC=N;BQTKKNDLCKGWIT-UHFFFAOYSA-N;138.17;0.35;;;;;DOPC;MDCG;27;1;"MARTINI bead: C5_P2";;;;;;;0.54;;-4.04;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM458521;MM458521;CCC12CC1N(OC)C=N2;ZWZQPISTYQJBNJ-UHFFFAOYSA-N;140.19;0.81;;;;;DOPC;MDCG;27;0;"MARTINI bead: SN0_SP1";;;;;;;0.34;;-1.53;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM458522;MM458522;C=NOCC#CCNC=N;UDSCHUJGPZOBSQ-UHFFFAOYSA-N;139.16;-0.18;;;;;DOPC;MDCG;27;1;"MARTINI bead: Na_P2";;;;;;;-0.24;;-6.19;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM458523;MM458523;C=C(F)CC(=NOC)OC;DUDDHDJTMASZSN-UHFFFAOYSA-N;147.15;1.47;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_C5";;;;;;;1.64;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM458524;MM458524;CC(C)NNC(=N)C#N;YEQICMXWDYQGDK-UHFFFAOYSA-N;126.16;-0.01;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_P1";;;;;;;-0.79;;-3.13;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM458525;MM458525;CCC12C=CC(CN)C1N2;QJUBFPNTXKTQOU-UHFFFAOYSA-N;138.21;0.25;;;;;DOPC;MDCG;27;1;"MARTINI bead: SNd_SNd";;;;;;;0.87;;-4.54;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM458526;MM458526;C=COCC#CCOC=C;QXSPRDWLUUKQMK-UHFFFAOYSA-N;138.17;1.31;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_C5";;;;;;;2.41;;0.64;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM458527;MM458527;NCC1C=CC2(CN)NC12;WTZKOZWKFJWOSF-UHFFFAOYSA-N;139.2;-1.2;;;;;DOPC;MDCG;27;1;"MARTINI bead: SNd_SP2";;;;;;;-0.24;;-5.69;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM458528;MM458528;O=COCC#CCOC=O;HXMJIIPXEYHZSK-UHFFFAOYSA-N;142.11;-0.66;;;;;DOPC;MDCG;27;0;"MARTINI bead: N0_P1";;;;;;;0.34;;-1.53;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM458529;MM458529;C=C(C)CONC=NOC;LIWYZUUMZRISAW-UHFFFAOYSA-N;144.17;0.67;;;;;DOPC;MDCG;27;0;"MARTINI bead: P3_C4";;;;;;;0.23;;-1.03;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM458530;MM458530;C=NOCC#CCOC=O;MHEVYMBETZCCND-UHFFFAOYSA-N;141.13;-0.21;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_N0";;;;;;;0.34;;-1.53;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM458531;MM458531;NCC1C=CC2(CO)NC12;OSQOAUHEBXZANH-UHFFFAOYSA-N;140.19;-1.17;;;;;DOPC;MDCG;27;1;"MARTINI bead: SNd_SP1";;;;;;;0.04;;-5.05;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM458532;MM458532;C=NOCC#CCON=C;BDJOBGJFYGLKSY-UHFFFAOYSA-N;140.14;0.25;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_Na";;;;;;;0.87;;-2.22;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM458533;MM458533;C#CCCC#CCNC=N;GJVLIDWUSPMDHX-UHFFFAOYSA-N;134.18;0.6;;;;;DOPC;MDCG;27;1;"MARTINI bead: P3_C1";;;;;;;0.94;;-2.69;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM458534;MM458534;CCCCNN=CC(C)F;VKEFKAJDUVHPLP-UHFFFAOYSA-N;146.21;1.72;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nd_Na";;;;;;;0.87;;-1.88;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM458535;MM458535;CCC1C=CC2(CF)NC12;DLXVGSCFUXTPTH-UHFFFAOYSA-N;141.19;1.26;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC2_SNda";;;;;;;2.83;;0.57;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM458536;MM458536;C#CCCC#CCNC=O;GKDPGXMXFRUUGN-UHFFFAOYSA-N;135.17;0.15;;;;;DOPC;MDCG;27;0;"MARTINI bead: P3_C1";;;;;;;0.94;;0.03;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM458537;MM458537;NCC1C=CC2(CF)NC12;FRYIVONZYGQZMQ-UHFFFAOYSA-N;142.18;-0.19;;;;;DOPC;MDCG;27;1;"MARTINI bead: SNd_SNda";;;;;;;0.87;;-4.34;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM458538;MM458538;CC=CCC#CCCCC;YZQHYSVAATYJED-UHFFFAOYSA-N;136.24;3.15;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1_C3";;;;;;;4.61;;0.31;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM458539;MM458539;C=CCCNN=CC(C)F;QMXWFZBGGISVAB-UHFFFAOYSA-N;144.19;1.5;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_P1";;;;;;;0.81;;-0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM458540;MM458540;CCCCC#CCC=NO;CPQIOYSEACOBAZ-UHFFFAOYSA-N;139.2;2.03;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1_P1";;;;;;;2.08;;0.48;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM458541;MM458541;CCC12C=CC(NC)C1N2;YJFUZFATCOWIRY-UHFFFAOYSA-N;138.21;0.26;;;;;DOPC;MDCG;27;1;"MARTINI bead: SNd_SNd";;;;;;;0.87;;-3.5;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM458542;MM458542;CNCCC#CCC=CF;IMBOBDPAVREIBG-UHFFFAOYSA-N;141.19;1.47;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_C5";;;;;;;1.64;;-2.48;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM458543;MM458543;CNC1C=CC2(CN)NC12;KWAPOOTYFLZZPW-UHFFFAOYSA-N;139.2;-1.19;;;;;DOPC;MDCG;27;1;"MARTINI bead: SNd_SP2";;;;;;;-0.24;;-5.2;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM458544;MM458544;CNCCC#CCC=NO;NPVLAHSPYDPESL-UHFFFAOYSA-N;140.19;0.45;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_P1";;;;;;;0.04;;-5.36;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM458545;MM458545;CNC1C=CC2(CO)NC12;IZVCVGVVEXQVRM-UHFFFAOYSA-N;140.19;-1.15;;;;;DOPC;MDCG;27;1;"MARTINI bead: SNd_SP1";;;;;;;0.04;;-3.72;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM458546;MM458546;CC=CCC#CCCOC;RMAXCNCKDPFNQH-UHFFFAOYSA-N;138.21;1.99;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_C3";;;;;;;2.57;;0.45;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM458547;MM458547;CC=CCC#CCOCC;LRTPQEBBNVBFGV-UHFFFAOYSA-N;138.21;1.99;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_C3";;;;;;;2.57;;0.45;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM458548;MM458548;CNC1C=CC2(CF)NC12;WOLPOBNAKJXDDG-UHFFFAOYSA-N;142.18;-0.18;;;;;DOPC;MDCG;27;1;"MARTINI bead: SNd_SNda";;;;;;;0.87;;-3.31;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM458549;MM458549;CCOCC#CCC=CF;UJWDWNMFBOPUSE-UHFFFAOYSA-N;142.17;1.9;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_C4";;;;;;;2.2;;0.34;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM458550;MM458550;CCC12C=CC(OC)C1N2;UQGSWWQAECBGQJ-UHFFFAOYSA-N;139.2;0.69;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNd_SNa";;;;;;;0.87;;-1.88;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM458551;MM458551;C=CCCC#CCC=CC;HFPZRNHWOCIBPD-UHFFFAOYSA-N;134.22;2.92;;;;;DOPC;MDCG;27;0;"MARTINI bead: C3_C3";;;;;;;4.27;;0.2;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM458552;MM458552;COC1C=CC2(CN)NC12;ARLAAIRJNJZISJ-UHFFFAOYSA-N;140.19;-0.76;;;;;DOPC;MDCG;27;1;"MARTINI bead: SNa_SP2";;;;;;;-0.24;;-5.17;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM458553;MM458553;N=CNCC#CCC=NN;BAABEJPQMJWFHX-UHFFFAOYSA-N;138.17;-0.48;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_P2";;;;;;;-0.24;;-6.12;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM458554;MM458554;COC1C=CC2(CF)NC12;LMMOAZMGJFBJNA-UHFFFAOYSA-N;143.16;0.25;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNa_SNda";;;;;;;0.87;;-1.99;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM458555;MM458555;N=CNCC#CCC=NO;PMTIILADIFIFJX-UHFFFAOYSA-N;139.16;0.04;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nda_P2";;;;;;;-0.24;;-6.28;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM458556;MM458556;CCC1C=CC2(CC)OC12;MOADVECVEBBMCR-UHFFFAOYSA-N;138.21;2.13;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC2_SC5";;;;;;;3.6;;0.34;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM458557;MM458557;O=CNCC#CCC=NO;BEJFDKSSVFRRLS-UHFFFAOYSA-N;140.14;-0.41;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_P3";;;;;;;-0.33;;-2.01;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM458558;MM458558;CCC12C=CC(CN)C1O2;VTYJZVHLBGBBAQ-UHFFFAOYSA-N;139.2;0.68;;;;;DOPC;MDCG;27;1;"MARTINI bead: SNa_SNd";;;;;;;0.87;;-4.57;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM458559;MM458559;C=COCC#CCC=CC;OQUYGMROEULRBA-UHFFFAOYSA-N;136.19;2.12;;;;;DOPC;MDCG;27;0;"MARTINI bead: C3_Na";;;;;;;2.57;;0.45;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM458560;MM458560;CCC12C=CC(CF)C1O2;IEPCKQFBVAZCQU-UHFFFAOYSA-N;142.17;1.69;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNa_SC5";;;;;;;1.64;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM458561;MM458561;O=COCC#CCC=NO;YTMANAVQOHPSQH-UHFFFAOYSA-N;141.13;0.01;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_N0";;;;;;;0.34;;-1.53;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM458562;MM458562;CCC1C=CC2(CN)OC12;BCIXDLVOSONTNB-UHFFFAOYSA-N;139.2;0.68;;;;;DOPC;MDCG;27;1;"MARTINI bead: SC2_SP1";;;;;;;2;;-0.65;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM458563;MM458563;NCC1C=CC2(CN)OC12;JTAULHZKNKRCII-UHFFFAOYSA-N;140.19;-0.77;;;;;DOPC;MDCG;27;1;"MARTINI bead: SNd_SP1";;;;;;;0.04;;-5.4;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM458564;MM458564;C=NOCC#CCC=CC;IGXZWQVRROXTHK-UHFFFAOYSA-N;137.18;1.59;;;;;DOPC;MDCG;27;0;"MARTINI bead: C3_P1";;;;;;;1.74;;0.29;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM458565;MM458565;C=NOCC#CCC=NO;AXXFARKSLMSEFN-UHFFFAOYSA-N;140.14;0.47;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda_Na";;;;;;;0.87;;-1.99;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM458566;MM458566;NCC12C=CC(CF)C1O2;KOJXXIKKWWHXSV-UHFFFAOYSA-N;143.16;0.24;;;;;DOPC;MDCG;27;1;"MARTINI bead: SP2_SC5";;;;;;;0.54;;-3.07;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM458567;MM458567;C#CCCC#CCC=CF;ZXUCHMNWCLSEEX-UHFFFAOYSA-N;136.17;2.28;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4_C5";;;;;;;2.97;;0.45;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM458568;MM458568;CCC1C=CC2(CO)OC12;IYRBSWBLWQYZSF-UHFFFAOYSA-N;140.18;0.71;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC2_SP1";;;;;;;2;;0.29;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM458569;MM458569;C#CCCC#CCC=NN;GFDSYTJKKHRGGF-UHFFFAOYSA-N;134.18;0.74;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nd_C5";;;;;;;1.64;;0.02;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM458570;MM458570;NCC1C=CC2(CO)OC12;SJPDYQPITZBRLT-UHFFFAOYSA-N;141.17;-0.74;;;;;DOPC;MDCG;27;1;"MARTINI bead: SNd_SP1";;;;;;;0.04;;-5.32;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM458571;MM458571;CC#CCC#CCCOC;RZONWVDUNOYCJA-UHFFFAOYSA-N;136.19;1.44;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_C3";;;;;;;2.57;;0.45;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM458572;MM458572;OCC12C=CC(CF)C1O2;RQNMGOLGPBBSAX-UHFFFAOYSA-N;144.15;0.27;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP1_SC5";;;;;;;0.81;;-0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM458573;MM458573;CC#CCC#CCNCC;MZGPNXDLDRNOQI-UHFFFAOYSA-N;135.21;1.01;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_C3";;;;;;;2.57;;-0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM458574;MM458574;CCC1C=CC2(CF)OC12;BZBMMRJPFFOIMD-UHFFFAOYSA-N;142.17;1.69;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC2_SNa";;;;;;;2.83;;0.35;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM458575;MM458575;CC#CCC#CCOCC;DWXLZCOUSQFUIQ-UHFFFAOYSA-N;136.19;1.44;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_C3";;;;;;;2.57;;0.45;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM458576;MM458576;CNC1C=CC2(CN)OC12;OYSZNOXCAJGDOD-UHFFFAOYSA-N;140.19;-0.76;;;;;DOPC;MDCG;27;1;"MARTINI bead: SNd_SP1";;;;;;;0.04;;-4.74;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM458577;MM458577;C=CCCC#CCC#CC;ADKBMBWUFRNOOR-UHFFFAOYSA-N;132.21;2.37;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4_C3";;;;;;;3.9;;0.47;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM458578;MM458578;CNC1C=CC2(CO)OC12;OSUSIPVQFZWWQF-UHFFFAOYSA-N;141.17;-0.73;;;;;DOPC;MDCG;27;1;"MARTINI bead: SNd_SP1";;;;;;;0.04;;-3.82;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM458579;MM458579;CC#CCC#CCCC#N;PNKCWCRPGRAWLN-UHFFFAOYSA-N;131.18;1.71;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4_N0";;;;;;;2.5;;0.44;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM458580;MM458580;CNC1C=CC2(CF)OC12;RMEKINOHDIZAEU-UHFFFAOYSA-N;143.16;0.25;;;;;DOPC;MDCG;27;1;"MARTINI bead: SNd_SNa";;;;;;;0.87;;-3.37;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM458581;MM458581;CC#CCC#CCNC=N;KLQQHORSHVNTGS-UHFFFAOYSA-N;134.18;0.6;;;;;DOPC;MDCG;27;1;"MARTINI bead: C3_P3";;;;;;;0.6;;-3.65;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM458582;MM458582;CC#CCC#CCOC=O;CFCFHJVFBBUPBP-UHFFFAOYSA-N;136.15;0.58;;;;;DOPC;MDCG;27;0;"MARTINI bead: C3_P1";;;;;;;1.74;;0.29;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM458583;MM458583;CCC12C=CC(OC)C1O2;SFVOGIARMHRMPC-UHFFFAOYSA-N;140.18;1.12;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNa_SNa";;;;;;;0.87;;-2.22;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM458584;MM458584;COC1C=CC2(CN)OC12;WMBGLURPBQDTBQ-UHFFFAOYSA-N;141.17;-0.33;;;;;DOPC;MDCG;27;1;"MARTINI bead: SNa_SP1";;;;;;;0.04;;-4.53;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM458585;MM458585;C#CCCC#CCC#CC;IIJITGJWJGNQJN-UHFFFAOYSA-N;130.19;1.82;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4_C5";;;;;;;2.97;;0.45;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM458586;MM458586;CC=CCC#CCC=CC;BETUWAZVTOCUSW-UHFFFAOYSA-N;134.22;2.92;;;;;DOPC;MDCG;27;0;"MARTINI bead: C2_C3";;;;;;;4.53;;0.32;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM458587;MM458587;COC1C=CC2(CO)OC12;FZJUGEYEVAZRDH-UHFFFAOYSA-N;142.15;-0.3;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNa_SP1";;;;;;;0.04;;-2.54;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM458588;MM458588;COC1C=CC2(CF)OC12;LIJOCSKCOFBWBQ-UHFFFAOYSA-N;144.15;0.68;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNa_SNa";;;;;;;0.87;;-2.22;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM458589;MM458589;CC#CCC#CCC=CC;IDYYBEBUEIQKRP-UHFFFAOYSA-N;132.21;2.37;;;;;DOPC;MDCG;27;0;"MARTINI bead: C3_C4";;;;;;;3.9;;0.47;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM458590;MM458590;CC#CCC#CCC#CC;IMYAVCZILSKSBA-UHFFFAOYSA-N;130.19;1.82;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4_C3";;;;;;;3.9;;0.47;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM458591;MM458591;CCC12C=CC(CN)N1C2;AGLSMTSCRQKNPS-UHFFFAOYSA-N;138.21;0.35;;;;;DOPC;MDCG;27;1;"MARTINI bead: SN0_SP2";;;;;;;0.06;;-4.15;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM458592;MM458592;CCC=CC#CCCCC;RINNDQGVZPEDRD-UHFFFAOYSA-N;136.24;3.15;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1_C2";;;;;;;4.87;;0.53;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM458593;MM458593;C=NNC(C)C#CCCC;SOARGTYFQOUYFR-UHFFFAOYSA-N;138.21;1.38;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1_P1";;;;;;;2.08;;0.48;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM458594;MM458594;COC=CC#CCCOC;MUGWPQFJLIPJIG-UHFFFAOYSA-N;140.18;1.19;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_N0";;;;;;;1.17;;-1.18;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM458595;MM458595;CCC1C=CC2(CN)CN12;YGTZRDYHMVXVJG-UHFFFAOYSA-N;138.21;0.35;;;;;DOPC;MDCG;27;1;"MARTINI bead: SNd_SP1";;;;;;;0.04;;-4.57;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM458596;MM458596;CNN=CC#CCCCN;KHWBMEGEGVTNAV-UHFFFAOYSA-N;139.2;-0.07;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_Nd";;;;;;;0.87;;-4.89;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM458597;MM458597;NCC1C=CC2(CN)CN12;NSKURWFHBIFMQL-UHFFFAOYSA-N;139.2;-1.1;;;;;DOPC;MDCG;27;1;"MARTINI bead: SP2_SP1";;;;;;;-1.06;;-6.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM458598;MM458598;NCC12C=CC(CO)N1C2;XTIRYXJGSOOMCU-UHFFFAOYSA-N;140.19;-1.07;;;;;DOPC;MDCG;27;1;"MARTINI bead: SP2_SP1";;;;;;;-1.06;;-5.75;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM458599;MM458599;CNN=CC#CCCOC;XYJYWRLHCONXPD-UHFFFAOYSA-N;140.19;0.23;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nd_Na";;;;;;;0.87;;-1.88;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM458600;MM458600;C=NNC(C)C#CCCF;CPRVEEMJPAFFDR-UHFFFAOYSA-N;142.18;0.94;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nd_Na";;;;;;;0.87;;-1.88;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM458601;MM458601;CCNCC#CC=CCF;BBTXTZGZAQJDGV-UHFFFAOYSA-N;141.19;1.13;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_Na";;;;;;;0.87;;-3.61;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM458602;MM458602;CCNCC#CC=NNC;BCCXCEQOCFRVBH-UHFFFAOYSA-N;139.2;-0.2;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_Nd";;;;;;;0.87;;-3.72;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM458603;MM458603;NCC1C=CC2(CO)CN12;QFKDYFRUZZOXLB-UHFFFAOYSA-N;140.19;-1.07;;;;;DOPC;MDCG;27;1;"MARTINI bead: SP2_SP1";;;;;;;-1.06;;-5.76;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM458604;MM458604;CCC=CC#CCOCC;DFGVJWAJXWUTDP-UHFFFAOYSA-N;138.21;1.99;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_C2";;;;;;;2.83;;0.35;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM458605;MM458605;C=CCC#CC(C)NN=C;PNNZQOIEBZSICO-UHFFFAOYSA-N;136.2;1.16;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nd_C5";;;;;;;1.64;;0.02;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM458606;MM458606;CON=COC(N)=CC=O;UYLDCERTMRCTML-UHFFFAOYSA-N;144.13;-0.41;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda_P2";;;;;;;-0.24;;-3.31;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM458607;MM458607;CCOCC#CC=NOC;QHGPOAYZBBXCAJ-UHFFFAOYSA-N;141.17;0.66;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_Na";;;;;;;0.87;;-2.22;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM458608;MM458608;NCC1C=CC2(CF)CN12;JUIYXQPVYBJBFK-UHFFFAOYSA-N;142.18;-0.09;;;;;DOPC;MDCG;27;1;"MARTINI bead: SP2_SNa";;;;;;;-0.24;;-5.18;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM458609;MM458609;CCCCC#CC=CC=O;KWFCBBXSJOWRJH-UHFFFAOYSA-N;136.19;1.94;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1_Na";;;;;;;2.91;;0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM458610;MM458610;CCC12C=CC(C#N)C1C2;YYIOWGIJWNJDRH-UHFFFAOYSA-N;133.19;2.11;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC3_SN0";;;;;;;2.87;;0.37;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM458611;MM458611;CCCCC#CC=CC#N;BTJUNXMKFLPKHW-UHFFFAOYSA-N;133.19;2.26;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1_N0";;;;;;;3.21;;0.46;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM458612;MM458612;C=CC1C=CC2(CF)CC12;WISUKLBBPTXJPT-UHFFFAOYSA-N;138.19;2.33;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC5_SC4";;;;;;;2.97;;0.45;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM458613;MM458613;N#CC=CC#CCCCF;LPESXLFJCWTORJ-UHFFFAOYSA-N;137.16;1.82;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_N0";;;;;;;1.94;;0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM458614;MM458614;O=CC1C=CC2(CF)CC12;XYMYWYDWKBNQRT-UHFFFAOYSA-N;140.16;1.35;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC5_SNa";;;;;;;1.64;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM458615;MM458615;C=CC=CC#CCCNC;RBCXCJPPANGZPT-UHFFFAOYSA-N;135.21;1.34;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_C4";;;;;;;2.2;;-1.92;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM458616;MM458616;C=CC1C=CC2(NC)CC12;HDSCSTAYEZQGJP-UHFFFAOYSA-N;135.21;1.34;;;;;DOPC;MDCG;27;1;"MARTINI bead: SNd_SC4";;;;;;;2.2;;-1.55;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM458617;MM458617;CNCCC#CC=CC#N;WBVNJZTXUMCNPG-UHFFFAOYSA-N;134.18;0.68;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_N0";;;;;;;1.17;;-3.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM458618;MM458618;CNC12C=CN(C=N)C1C2;RKSBHTXIBTZLRG-UHFFFAOYSA-N;137.19;0.15;;;;;DOPC;MDCG;27;1;"MARTINI bead: SNd_SP1";;;;;;;0.04;;-5.33;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM458619;MM458619;C=CC=CC#CCNCC;WGAQKTZMHYBUIR-UHFFFAOYSA-N;135.21;1.34;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_C4";;;;;;;2.2;;-1.16;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM458620;MM458620;COC12C=CN(C=O)C1C2;NFWUISZXNORJBV-UHFFFAOYSA-N;139.15;0.13;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNa_SP1";;;;;;;0.04;;-2.54;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM458621;MM458621;CCNCC#CC=CC#N;CKJGMDAAIDFPJJ-UHFFFAOYSA-N;134.18;0.68;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_N0";;;;;;;1.17;;-2.75;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM458622;MM458622;CCC12C=NN(C=N)C1C2;USVIPBFDHQHVGO-UHFFFAOYSA-N;137.19;1.06;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC3_SP2";;;;;;;1.46;;-0.15;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM458623;MM458623;C=CC=CC#CCOCC;CBVOOLDTLQTELX-UHFFFAOYSA-N;136.19;1.77;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_C4";;;;;;;2.2;;0.34;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM458624;MM458624;CCC12C=NN(C=O)C1C2;MAVPHGVZGRHFTD-UHFFFAOYSA-N;138.17;0.61;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC3_SP2";;;;;;;1.46;;-0.15;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM458625;MM458625;CCOCC#CC=CC#N;RPMNOAWSFQJNKR-UHFFFAOYSA-N;135.17;1.11;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_N0";;;;;;;1.17;;-1.18;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM458626;MM458626;N=CN1N=CC2(CN)CC12;DLTFAQPGAXBCGX-UHFFFAOYSA-N;138.17;-0.39;;;;;DOPC;MDCG;27;1;"MARTINI bead: SNd_SP2";;;;;;;-0.24;;-4.66;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM458627;MM458627;C=NN=CC#CCOCC;HXKVPZMUVKIDMQ-UHFFFAOYSA-N;138.17;0.71;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_C5";;;;;;;1.64;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM458628;MM458628;NCC12C=NN(C=O)C1C2;DMSWNFJHUCITIG-UHFFFAOYSA-N;139.16;-0.84;;;;;DOPC;MDCG;27;1;"MARTINI bead: SNd_SP2";;;;;;;-0.24;;-5.16;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM458629;MM458629;C#CC=CC#CCCCC;SLWPGVNQKMISCE-UHFFFAOYSA-N;132.21;2.37;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1_C4";;;;;;;4.24;;0.42;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM458630;MM458630;C=C(F)C(=N)NOCC#N;VWHKOBMJRIVBQR-UHFFFAOYSA-N;143.12;0.49;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_P2";;;;;;;0.54;;-1.09;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM458631;MM458631;C#CC=CC#CCCCN;QBWYWAKZSATSLT-UHFFFAOYSA-N;133.19;0.92;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_C4";;;;;;;2.2;;-2.19;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM458632;MM458632;CC1(CF)CC(NN)=NO1;YYKXGDMTYPRTNY-UHFFFAOYSA-N;147.15;-0.09;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNa_SP2";;;;;;;-0.24;;-3.24;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM458633;MM458633;C#CC=CC#CCCNC;KVOCMTRWJMMVTN-UHFFFAOYSA-N;133.19;0.79;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_C4";;;;;;;2.2;;-1.91;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM458634;MM458634;N=CN1N=CC2(CF)CC12;QSVGPVCPUCOGHC-UHFFFAOYSA-N;141.15;0.62;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC5_SP2";;;;;;;0.54;;-1.09;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM458635;MM458635;C#CC=CC#CCNCC;JAZFZUHIJXMGRS-UHFFFAOYSA-N;133.19;0.79;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_C4";;;;;;;2.2;;-1.15;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM458636;MM458636;O=CN1N=CC2(CF)CC12;XTANAZVTXDNEKN-UHFFFAOYSA-N;142.13;0.17;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC5_SP2";;;;;;;0.54;;-1.09;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM458637;MM458637;COC12C=NN(C=N)C1C2;KBIGUHXCKJAVIB-UHFFFAOYSA-N;139.16;0.05;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNa_SP2";;;;;;;-0.24;;-3.24;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM458638;MM458638;C#CC=CC#CCOCC;QLPJWHFJQBMLMN-UHFFFAOYSA-N;134.18;1.22;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_C4";;;;;;;2.2;;0.34;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM458639;MM458639;C=CCCC#CC=CCC;ZLGHGRHHDDJHJI-UHFFFAOYSA-N;134.22;2.92;;;;;DOPC;MDCG;27;0;"MARTINI bead: C3_C3";;;;;;;4.27;;0.2;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM458640;MM458640;COC12C=NN(C=O)C1C2;OZAMBXVIBZJFNZ-UHFFFAOYSA-N;140.14;-0.4;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNa_SP2";;;;;;;-0.24;;-3.24;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM458641;MM458641;CCC=CC#CCCC#N;LSVBNKIFMDBEEZ-UHFFFAOYSA-N;133.19;2.26;;;;;DOPC;MDCG;27;0;"MARTINI bead: C3_N0";;;;;;;2.87;;0.37;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM458642;MM458642;CCC12CC1N(C=O)C=N2;BXYIBRBLMNJXTP-UHFFFAOYSA-N;138.17;0.41;;;;;DOPC;MDCG;27;0;"MARTINI bead: SN0_SP2";;;;;;;0.06;;-2.21;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM458643;MM458643;CCC=NN=CC(C)F;AUZOSZHXHVENPW-UHFFFAOYSA-N;130.17;1.81;;;;;DOPC;MDCG;27;0;"MARTINI bead: N0_C5";;;;;;;1.94;;0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM458644;MM458644;NCC12CC1N(C=O)C=N2;TUZQRXNFKYUODK-UHFFFAOYSA-N;139.16;-1.04;;;;;DOPC;MDCG;27;1;"MARTINI bead: SP2_SP2";;;;;;;-1.34;;-5.97;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM458645;MM458645;CON=CC#CCCC#N;RFKKIPVLFBQYQI-UHFFFAOYSA-N;136.15;0.93;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_N0";;;;;;;1.17;;-1.18;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM458646;MM458646;C=CC1(C)CC(NN)=NO1;WUWUUIFJCUYZJK-UHFFFAOYSA-N;141.17;0.13;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC5_SP2";;;;;;;0.54;;-1.09;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM458647;MM458647;CCC=CC#CCNC=N;RIALMDGMTQRGNP-UHFFFAOYSA-N;136.2;1.15;;;;;DOPC;MDCG;27;1;"MARTINI bead: C1_P2";;;;;;;1.8;;-1.83;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM458648;MM458648;O=CN1C=NC2(CF)CC12;FABFQJFVDPRVPF-UHFFFAOYSA-N;142.13;-0.03;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP1_SP2";;;;;;;-1.06;;-3.82;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM458649;MM458649;N=CNCC#CC=CCO;VZYKOIKSTMXZJK-UHFFFAOYSA-N;138.17;-0.27;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nda_P2";;;;;;;-0.24;;-6.24;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM458650;MM458650;C=NN1C=NC2(CC)CC12;KSLWUXCHIBWNFA-UHFFFAOYSA-N;137.19;0.87;;;;;DOPC;MDCG;27;0;"MARTINI bead: SN0_SP1";;;;;;;0.34;;-1.53;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM458651;MM458651;CCC=CC#CCNC=O;MTFUTVPEDDINKG-UHFFFAOYSA-N;137.18;0.7;;;;;DOPC;MDCG;27;0;"MARTINI bead: C2_P3";;;;;;;0.86;;-0.3;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM458652;MM458652;C=CC1(C)CC(CF)=NN1;UTOTVQFWGLKDMW-UHFFFAOYSA-N;142.18;1.25;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNd_SP1";;;;;;;0.04;;-2.63;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM458653;MM458653;COC=CC#CCNC=N;WLKGXKKYTNECNE-UHFFFAOYSA-N;138.17;0.35;;;;;DOPC;MDCG;27;1;"MARTINI bead: C4_P3";;;;;;;0.23;;-3.94;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM458654;MM458654;C=NN1C=NC2(CF)CC12;KGNWQHSWXMFMPP-UHFFFAOYSA-N;141.15;0.43;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP1_SP1";;;;;;;-0.79;;-3.13;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM458655;MM458655;CNN=CC#CCNC=N;QNFGOWDVHAXXHJ-UHFFFAOYSA-N;138.17;-0.61;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_P2";;;;;;;-0.24;;-6.11;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM458656;MM458656;CC1=NC(C#N)(C=O)CN1;WZGHXPKIAHTITP-UHFFFAOYSA-N;137.14;-0.53;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNd_SP2";;;;;;;-0.24;;-3.16;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM458657;MM458657;C=CC#CC(F)C=NN;IXIMNYMNPSYENK-UHFFFAOYSA-N;126.13;0.46;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_C4";;;;;;;1.37;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM458658;MM458658;CCC12C=CC(C#N)C1N2;JZGVTMPNFGCMID-UHFFFAOYSA-N;134.18;0.82;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNd_SN0";;;;;;;1.17;;-1.04;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM458659;MM458659;C=CC1C=CC2(CN)NC12;QWKDYQRNDSDXPR-UHFFFAOYSA-N;136.2;0.03;;;;;DOPC;MDCG;27;1;"MARTINI bead: SP2_SC4";;;;;;;1.09;;-2.27;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM458660;MM458660;CCNNC(=N)C(F)F;OOJMGBBLIAYYTH-UHFFFAOYSA-N;137.13;0.34;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_Nd";;;;;;;0.04;;-2.63;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM458661;MM458661;CON=CNC(=N)CF;GECURBZXCYRAOT-UHFFFAOYSA-N;133.13;0.11;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_Na";;;;;;;-0.24;;-3.24;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM458662;MM458662;CN=C(N)C(=O)C#CC=O;PPUDYDNOAOYIKZ-UHFFFAOYSA-N;138.13;-1.26;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_Na";;;;;;;-0.24;;-3.24;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM458663;MM458663;C=COCC#CC=CCC;OUUZNONEPGCSIJ-UHFFFAOYSA-N;136.19;2.12;;;;;DOPC;MDCG;27;0;"MARTINI bead: C2_Na";;;;;;;2.83;;0.35;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM458664;MM458664;C#CC=NNCC(F)=CF;HLYUJQQGXBGNDC-UHFFFAOYSA-N;144.12;0.98;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_P1";;;;;;;0.81;;-0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM458665;MM458665;CCN=C(NC)C(=O)C#N;JSLKSQHVYJUJSL-UHFFFAOYSA-N;139.16;-0.28;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_P1";;;;;;;0.81;;-0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM458666;MM458666;C=COCC#CC=COC;CDHVSSAEHOIUAN-UHFFFAOYSA-N;138.17;1.31;;;;;DOPC;MDCG;27;0;"MARTINI bead: N0_Na";;;;;;;1.17;;-1.18;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM458667;MM458667;C=NNCC(OC)=C(F)F;JJPBEVJKVHZENQ-UHFFFAOYSA-N;150.13;0.95;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_P2";;;;;;;0.54;;-1.09;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM458668;MM458668;C=COCC#CC=NOC;BYYCDOUSKLACQX-UHFFFAOYSA-N;139.15;0.78;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_C4";;;;;;;1.09;;-0.38;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM458669;MM458669;C=CC1C=CC2(CC)OC12;JZSHLSOXZWCSPU-UHFFFAOYSA-N;136.19;1.91;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNa_SC4";;;;;;;2.2;;0.34;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM458670;MM458670;C=NOCC#CC=NNC;RYODRGXPENCZDY-UHFFFAOYSA-N;139.16;-0.17;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nd_Na";;;;;;;0.87;;-1.88;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM458671;MM458671;CCC12C=CC(C=O)C1O2;WUTQFBKPURNTIW-UHFFFAOYSA-N;138.17;0.92;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNa_SNa";;;;;;;0.87;;-2.22;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM458672;MM458672;C=NOCC#CC=NOC;IZNTVTJLXRAEFZ-UHFFFAOYSA-N;140.14;0.25;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_C5";;;;;;;0.54;;-1.09;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM458673;MM458673;CCC12C=CC(C#N)C1O2;KTIVXPQLNBGVCY-UHFFFAOYSA-N;135.17;1.24;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNa_SN0";;;;;;;1.17;;-1.18;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM458674;MM458674;N#CC=CC#CCCC#N;ODKJGJSXCVEXKO-UHFFFAOYSA-N;130.15;1.37;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_N0";;;;;;;0.34;;-1.53;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM458675;MM458675;C=CC1C=CC2(CN)OC12;DTIZPCQODPBFAN-UHFFFAOYSA-N;137.18;0.45;;;;;DOPC;MDCG;27;1;"MARTINI bead: SP2_SC4";;;;;;;1.09;;-2.33;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM458676;MM458676;C=NN=CC#CCCC#N;DXEABHRQERMVEW-UHFFFAOYSA-N;133.15;0.98;;;;;DOPC;MDCG;27;0;"MARTINI bead: N0_N0";;;;;;;1.47;;-0.05;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM458677;MM458677;O=CC1C=CC2(CO)OC12;RQGLFHKFXDCAJH-UHFFFAOYSA-N;140.14;-0.5;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP1_SNa";;;;;;;0.04;;-2.54;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM458678;MM458678;C=CC=CC#CCNC=N;ZHAXITXRNUDHJF-UHFFFAOYSA-N;134.18;0.93;;;;;DOPC;MDCG;27;1;"MARTINI bead: C4_P2";;;;;;;1.09;;-3.28;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM458679;MM458679;N#CC1C=CC2(CO)OC12;WHNJEQICSLHGFM-UHFFFAOYSA-N;137.14;-0.17;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP1_SN0";;;;;;;0.34;;-1.53;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM458680;MM458680;N=CNCC#CC=CC=O;WRVPXFGQKUOCSY-UHFFFAOYSA-N;136.15;-0.06;;;;;DOPC;MDCG;27;1;"MARTINI bead: P3_C4";;;;;;;0.23;;-3.94;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM458681;MM458681;C=CC1C=CC2(CF)OC12;SSQOTUBUAQOCJE-UHFFFAOYSA-N;140.16;1.47;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNa_SC4";;;;;;;2.2;;0.34;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM458682;MM458682;O=CC=CC#CCNC=O;HEAAYBWTFACQNF-UHFFFAOYSA-N;137.14;-0.51;;;;;DOPC;MDCG;27;0;"MARTINI bead: P3_C4";;;;;;;0.23;;-1.03;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM458683;MM458683;O=CC1C=CC2(CF)OC12;RXGVVUQIZFVINQ-UHFFFAOYSA-N;142.13;0.48;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNa_SNa";;;;;;;0.87;;-2.22;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM458684;MM458684;N#CC=CC#CCNC=O;QQDFVCIPYHGHQI-UHFFFAOYSA-N;134.14;-0.18;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_N0";;;;;;;0.34;;-1.53;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM458685;MM458685;N=c1c(F)c(N)n(N)n1N;JSPNRPKGOKOASM-UHFFFAOYSA-N;146.13;-2.08;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNda_SP3";;;;;;;-1.1;;-3.97;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM458686;MM458686;C=NN=CC#CCNC=N;JJAASEDPJBYPTA-UHFFFAOYSA-N;136.16;-0.13;;;;;DOPC;MDCG;27;1;"MARTINI bead: C5_P2";;;;;;;0.54;;-4.03;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM458687;MM458687;N#CC=CC#CCOC=O;ZGEBEJRUYGVEKR-UHFFFAOYSA-N;135.12;0.24;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_C5";;;;;;;0.81;;-0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM458688;MM458688;CCC12C=CC(C#N)N1C2;DUJNTHWXCWSJSC-UHFFFAOYSA-N;134.18;0.91;;;;;DOPC;MDCG;27;0;"MARTINI bead: SN0_SP1";;;;;;;0.34;;-1.53;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM458689;MM458689;C#CC=CC#CCOC=C;YIUSYWWSVZGPQH-UHFFFAOYSA-N;132.16;1.34;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_C4";;;;;;;2.2;;0.34;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM458690;MM458690;C=CC1C=CC2(CN)CN12;HULWGMIYTQIVKW-UHFFFAOYSA-N;136.2;0.12;;;;;DOPC;MDCG;27;1;"MARTINI bead: SP2_SNd";;;;;;;-0.24;;-5.09;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM458691;MM458691;C#CCCC#CC=CCC;YNVZUCNOXHHKQM-UHFFFAOYSA-N;132.21;2.37;;;;;DOPC;MDCG;27;0;"MARTINI bead: C3_C5";;;;;;;3.34;;0.48;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM458692;MM458692;CCCON=CNCC#N;XWTIJNPMFDGKPS-UHFFFAOYSA-N;141.17;0.47;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_P1";;;;;;;0.81;;-0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM458693;MM458693;C#CCCC#CC=CCF;WCFGXHYNQHCTOV-UHFFFAOYSA-N;136.17;1.93;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_C5";;;;;;;1.64;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM458694;MM458694;C#CCNN=CCC=CF;QFQYQERCDNEDAX-UHFFFAOYSA-N;140.16;1.07;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4_P1";;;;;;;1.37;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM458695;MM458695;C#CCCC#CC=NNC;LKUVKKIJYOQZQY-UHFFFAOYSA-N;134.18;0.61;;;;;DOPC;MDCG;27;0;"MARTINI bead: P3_C1";;;;;;;0.94;;0.03;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM458696;MM458696;N#CC1C=CC2(CO)CN12;WHMXCZUCJNTNHB-UHFFFAOYSA-N;136.15;-0.5;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP2_SP1";;;;;;;-1.06;;-3.82;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM458697;MM458697;C#CCCC#CC=CC=O;OQDRZXDGGUSILX-UHFFFAOYSA-N;132.16;1.16;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_C5";;;;;;;1.64;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM458698;MM458698;C=CC1C=CC2(CF)CN12;GDTNKIACQLHGLU-UHFFFAOYSA-N;139.17;1.13;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNa_SNd";;;;;;;0.87;;-1.88;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM458699;MM458699;CC=CCC#CC=CCC;DIIBUSYOKIUWHM-UHFFFAOYSA-N;134.22;2.92;;;;;DOPC;MDCG;27;0;"MARTINI bead: C3_C3";;;;;;;4.27;;0.2;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM458700;MM458700;O=CC#CC=NNCCF;IDQLSNZHWANWNP-UHFFFAOYSA-N;142.13;-0.27;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_C5";;;;;;;0.54;;-1.09;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM458701;MM458701;CCC=CC#CCC=CF;XVYBJNQBLCUKHT-UHFFFAOYSA-N;138.19;2.83;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1_C3";;;;;;;4.61;;0.31;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM458702;MM458702;N#CC1C=CC2(CF)CN12;MQLBWHBFSBHZED-UHFFFAOYSA-N;138.15;0.47;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNa_SP1";;;;;;;0.04;;-2.54;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM458703;MM458703;CC=CCC#CC=NOC;WJTIESVTIKOXKZ-UHFFFAOYSA-N;137.18;1.59;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_C3";;;;;;;1.74;;0.29;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM458704;MM458704;CCC12C=CN(C=N)N1C2;RTAYKZZZQUUOIV-UHFFFAOYSA-N;137.19;0.8;;;;;DOPC;MDCG;27;1;"MARTINI bead: SN0_SP3";;;;;;;-0.8;;-5.16;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM458705;MM458705;CNN=CC#CCC=NN;NSOBWEJDGKNNAJ-UHFFFAOYSA-N;138.17;-0.47;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nd_Nd";;;;;;;0.87;;-2.11;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM458706;MM458706;CCC12C=CN(C=O)N1C2;IGWNCVFEKQKLTI-UHFFFAOYSA-N;138.17;0.35;;;;;DOPC;MDCG;27;0;"MARTINI bead: SN0_SP2";;;;;;;0.06;;-2.21;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM458707;MM458707;C=CC=CC#CCC=CF;DSIYSAXCQPOKBB-UHFFFAOYSA-N;136.17;2.61;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4_C4";;;;;;;3.53;;0.53;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM458708;MM458708;N=CN1C=CC2(CN)CN12;VMZUXWHTWYTEON-UHFFFAOYSA-N;138.17;-0.65;;;;;DOPC;MDCG;27;1;"MARTINI bead: SP2_SP3";;;;;;;-2.2;;-7.36;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM458709;MM458709;N#CC=CC#CCC=NO;MPJQSHHHNQUUGN-UHFFFAOYSA-N;134.14;0.92;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda_N0";;;;;;;1.17;;-1.13;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM458710;MM458710;NCC12C=CN(C=O)N1C2;OMLLUEZAAZFZPK-UHFFFAOYSA-N;139.16;-1.1;;;;;DOPC;MDCG;27;1;"MARTINI bead: SP2_SP2";;;;;;;-1.34;;-5.81;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM458711;MM458711;C#CC=CC#CCC=CC;KMGILVNGKOZBFI-UHFFFAOYSA-N;130.19;2.15;;;;;DOPC;MDCG;27;0;"MARTINI bead: C2_C4";;;;;;;4.16;;0.44;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM458712;MM458712;N=CN1C=CC2(CO)CN12;WGRIAGOQDPIHPT-UHFFFAOYSA-N;139.16;-0.62;;;;;DOPC;MDCG;27;1;"MARTINI bead: SP2_SP3";;;;;;;-2.2;;-7.33;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM458713;MM458713;C#CC=CC#CCC=CF;MVHXLVGNFVXEGY-UHFFFAOYSA-N;134.15;2.05;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4_C4";;;;;;;3.53;;0.53;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM458714;MM458714;O=CN1C=CC2(CO)CN12;UYTJUDGOEYHZSU-UHFFFAOYSA-N;140.14;-1.07;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP2_SP2";;;;;;;-1.34;;-4.31;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM458715;MM458715;C#CC=CC#CCC=NN;PQCASTCEVRKOSY-UHFFFAOYSA-N;132.17;0.51;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nd_C4";;;;;;;2.2;;0.32;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM458716;MM458716;N=CN1C=CC2(CF)CN12;OLUGNORAHTVVEU-UHFFFAOYSA-N;141.15;0.36;;;;;DOPC;MDCG;27;1;"MARTINI bead: SNa_SP3";;;;;;;-1.1;;-6.33;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM458717;MM458717;C#CC=CC#CCC=NO;UHTIBYVMXTZWIM-UHFFFAOYSA-N;133.15;1.03;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_C4";;;;;;;1.37;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM458718;MM458718;O=CN1C=CC2(CF)CN12;FTMDTPFMNJQOPO-UHFFFAOYSA-N;142.13;-0.09;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNa_SP2";;;;;;;-0.24;;-3.24;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM458719;MM458719;CC#CCC#CC=CCC;QRIPTDZTWRYLCC-UHFFFAOYSA-N;132.21;2.37;;;;;DOPC;MDCG;27;0;"MARTINI bead: C3_C3";;;;;;;4.27;;0.2;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM458720;MM458720;C#CC1C=CC2(CC)CC12;RDNGWMRVNYTIJC-UHFFFAOYSA-N;132.21;2.22;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC3_SC5";;;;;;;3.34;;0.48;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM458721;MM458721;CC#CCC#CC=NNC;KIZZSZTVEGFXGV-UHFFFAOYSA-N;134.18;0.61;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_C3";;;;;;;1.46;;-0.15;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM458722;MM458722;C#CC1C=CC2(CN)CC12;DTFLMODZRFOVSK-UHFFFAOYSA-N;133.19;0.77;;;;;DOPC;MDCG;27;1;"MARTINI bead: SNd_SC5";;;;;;;1.64;;-2.34;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM458723;MM458723;CC#CCC#CC=NOC;YWQJLGCSIOGCHL-UHFFFAOYSA-N;135.17;1.04;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_C3";;;;;;;1.74;;0.29;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM458724;MM458724;C#CC1C=CC2(CF)CC12;NHHSINACHSHQSV-UHFFFAOYSA-N;136.17;1.78;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC5_SC5";;;;;;;2.41;;0.64;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM458725;MM458725;C=CC=CC#CCC#CC;ZWWMXNXAMMDXFH-UHFFFAOYSA-N;130.19;2.15;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4_C4";;;;;;;3.53;;0.53;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM458726;MM458726;C#CC1C=CC2(CC)NC12;COQVPDXAOFNLKJ-UHFFFAOYSA-N;133.19;0.93;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNd_SC5";;;;;;;1.64;;0.03;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM458727;MM458727;CC#CCC#CC=CC#N;COZIAPPEGFHLNJ-UHFFFAOYSA-N;129.16;1.48;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4_N0";;;;;;;2.5;;0.44;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM458728;MM458728;C#CC1C=CC2(CN)NC12;MLIYERCMPDELIX-UHFFFAOYSA-N;134.18;-0.53;;;;;DOPC;MDCG;27;1;"MARTINI bead: SP2_SC5";;;;;;;0.54;;-3.01;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM458729;MM458729;C#CC=CC#CCC#CC;WAEGDWHRGKEYSQ-UHFFFAOYSA-N;128.17;1.59;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4_C4";;;;;;;3.53;;0.53;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM458730;MM458730;CC1CC(NN)=NO1;OHGJQBAXPNGPPA-UHFFFAOYSA-N;115.14;-0.43;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNa_SP2";;;;;;;-0.24;;-3.24;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM458731;MM458731;CCC#CC#CCCCC;XELGZNCEOVOAJD-UHFFFAOYSA-N;134.22;2.59;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1_C3";;;;;;;4.61;;0.31;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM458732;MM458732;C#CC1C=CC2(CC)OC12;OVNNNCCYNDUYKS-UHFFFAOYSA-N;134.18;1.35;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNa_SC5";;;;;;;1.64;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM458733;MM458733;CCCCC#CC#CCN;KGDHTERBGLDFDW-UHFFFAOYSA-N;135.21;1.14;;;;;DOPC;MDCG;27;1;"MARTINI bead: C1_Nd";;;;;;;2.91;;0.5;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM458734;MM458734;C#CC1C=CC2(CN)OC12;SJRJXAAKDQUGSI-UHFFFAOYSA-N;135.17;-0.1;;;;;DOPC;MDCG;27;1;"MARTINI bead: SP2_SC5";;;;;;;0.54;;-3.07;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM458735;MM458735;CCCCC#CC#CCO;KTUPPUINCHPEFE-UHFFFAOYSA-N;136.19;1.18;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1_Nda";;;;;;;2.91;;0.57;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM458736;MM458736;C#CC1C=CC2(CO)OC12;PMYSTDYRDDDERO-UHFFFAOYSA-N;136.15;-0.06;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP1_SC5";;;;;;;0.81;;-0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM458737;MM458737;CCCCC#CC#CCF;WAVRLZRWYBTMEO-UHFFFAOYSA-N;138.19;2.15;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1_C5";;;;;;;3.68;;0.46;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM458738;MM458738;C#CC1C=CC2(CC)CN12;HPMSXWYFUQFPMK-UHFFFAOYSA-N;133.19;1.02;;;;;DOPC;MDCG;27;0;"MARTINI bead: SN0_SP1";;;;;;;0.34;;-1.53;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM458739;MM458739;CCC#CC#CCCCN;HAAMXQBVVMOHDS-UHFFFAOYSA-N;135.21;1.14;;;;;DOPC;MDCG;27;1;"MARTINI bead: C2_Nd";;;;;;;2.83;;-0.72;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM458740;MM458740;C#CC1C=CC2(CN)CN12;XLDAUQZRDNOQFH-UHFFFAOYSA-N;134.18;-0.43;;;;;DOPC;MDCG;27;1;"MARTINI bead: SP2_SP1";;;;;;;-1.06;;-5.75;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM458741;MM458741;NCC#CC#CCCCN;FMOOSIGHPSZJJI-UHFFFAOYSA-N;136.2;-0.31;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_Nd";;;;;;;0.87;;-4.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM458742;MM458742;CC1(C)CC(NN)=NO1;ZZMWQAIBPOAUSY-UHFFFAOYSA-N;129.16;-0.04;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNa_SP2";;;;;;;-0.24;;-3.24;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM458743;MM458743;NCCCC#CC#CCO;WIYRQVJBSCSSFX-UHFFFAOYSA-N;137.18;-0.28;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_Nda";;;;;;;0.87;;-4.69;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM458744;MM458744;C#CC1C=CC2(CF)CN12;BEUKNUDMJSSEBG-UHFFFAOYSA-N;137.16;0.58;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNa_SP1";;;;;;;0.04;;-2.54;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM458745;MM458745;NCCCC#CC#CCF;NTDXCORNGHLEIA-UHFFFAOYSA-N;139.17;0.7;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_C5";;;;;;;1.64;;-2.67;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM458746;MM458746;C=CC12C=CC(CC)C1C2;AMTGRKFSIQUWDS-UHFFFAOYSA-N;134.22;2.77;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC2_SC3";;;;;;;4.53;;0.32;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM458747;MM458747;CCC#CC#CCCCO;AMZXCXHSOHHVHG-UHFFFAOYSA-N;136.19;1.18;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1_P1";;;;;;;2.08;;0.48;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM458748;MM458748;C=C(F)CNC(=N)C=O;GPNPEFNIYXXGDF-UHFFFAOYSA-N;130.12;0.24;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_P3";;;;;;;-0.33;;-2.01;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM458749;MM458749;NCC#CC#CCCCO;LQPWJJRXFKTNDQ-UHFFFAOYSA-N;137.18;-0.28;;;;;DOPC;MDCG;27;1;"MARTINI bead: C5_P1";;;;;;;0.81;;-1.69;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM458750;MM458750;CNC1C=CC2(C=O)CC12;CUTMIDGAZMLPLB-UHFFFAOYSA-N;137.18;0.35;;;;;DOPC;MDCG;27;1;"MARTINI bead: SNd_SNa";;;;;;;0.87;;-4.05;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM458751;MM458751;OCCCC#CC#CCF;AOTJEZVBKUDUSX-UHFFFAOYSA-N;140.16;0.74;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda_Na";;;;;;;0.87;;-1.99;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM458752;MM458752;CCN1C=NC2(C#N)CC12;VTGXGYTTXHCODP-UHFFFAOYSA-N;135.17;0.38;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNd_SP1";;;;;;;0.04;;-2.63;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM458753;MM458753;CCC#CC#CCCNC;QHZYRJOISZXREU-UHFFFAOYSA-N;135.21;1.01;;;;;DOPC;MDCG;27;1;"MARTINI bead: C2_Nd";;;;;;;2.83;;-0.39;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM458754;MM458754;CNN1C=NC2(C#N)CC12;TZIJFBFVOOGWGN-UHFFFAOYSA-N;136.16;-0.5;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP3_SP1";;;;;;;-1.93;;-4.72;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM458755;MM458755;CNCCC#CC#CCN;MAQGFAURHGXQMY-UHFFFAOYSA-N;136.2;-0.44;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_Nd";;;;;;;0.87;;-4.55;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM458756;MM458756;C=CC12CC1N(OC)C=N2;NNMSGZBOCKHUKO-UHFFFAOYSA-N;138.17;0.59;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP1_SP1";;;;;;;-0.79;;-3.13;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM458757;MM458757;CNCCC#CC#CCO;TWYOXKACPODPCQ-UHFFFAOYSA-N;137.18;-0.41;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_Nda";;;;;;;0.87;;-4.32;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM458758;MM458758;CON1C=NC2(C=O)CC12;RXEUQPIDKKJIKJ-UHFFFAOYSA-N;140.14;-0.4;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP1_SP2";;;;;;;-1.06;;-3.82;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM458759;MM458759;CNCCC#CC#CCF;HYLDEEBWLOBHPM-UHFFFAOYSA-N;139.17;0.57;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_Na";;;;;;;0.87;;-4.29;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM458760;MM458760;CON1C=NC2(C#N)CC12;LFIPPRXBZZUBDH-UHFFFAOYSA-N;137.14;-0.07;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP1_SP1";;;;;;;-0.79;;-3.13;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM458761;MM458761;CCC#CC#CCCOC;UXNBIQQWYLXKNA-UHFFFAOYSA-N;136.19;1.44;;;;;DOPC;MDCG;27;0;"MARTINI bead: C2_Na";;;;;;;2.83;;0.35;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM458762;MM458762;C=CC12C=CC(CC)C1N2;AHCIPBCHMPMBLV-UHFFFAOYSA-N;135.21;1.48;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC2_SNd";;;;;;;2.83;;0.63;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM458763;MM458763;COCCC#CC#CCN;GXLRHZGNZLDEQM-UHFFFAOYSA-N;137.18;-0.01;;;;;DOPC;MDCG;27;1;"MARTINI bead: Na_Nd";;;;;;;0.87;;-3.08;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM458764;MM458764;C=CC12C=CC(CN)C1N2;DHTBALFCXFMMRO-UHFFFAOYSA-N;136.2;0.03;;;;;DOPC;MDCG;27;1;"MARTINI bead: SNd_SNd";;;;;;;0.87;;-4.54;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM458765;MM458765;COCCC#CC#CCO;LJHNGMNTQCNWHP-UHFFFAOYSA-N;138.17;0.02;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_Nda";;;;;;;0.87;;-1.99;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM458766;MM458766;C=NN=CCOC(C)=O;YHMJXDKFHSXUTQ-UHFFFAOYSA-N;128.13;0.24;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_N0";;;;;;;1.17;;-1.18;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM458767;MM458767;COCCC#CC#CCF;ZUBACJILJZNQAR-UHFFFAOYSA-N;140.16;1;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_C5";;;;;;;1.64;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM458768;MM458768;CCC#CC#CCNCC;FMJHVVXLRGBOLS-UHFFFAOYSA-N;135.21;1.01;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_C2";;;;;;;2.83;;0.35;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM458769;MM458769;C=NNCC(F)=CC#N;WOJNQCQHSYTTFR-UHFFFAOYSA-N;127.12;0.57;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_P1";;;;;;;0.81;;-0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM458770;MM458770;CCNCC#CC#CCN;TUIMJKDZBRPWHM-UHFFFAOYSA-N;136.2;-0.44;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_Nd";;;;;;;0.87;;-3.75;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM458771;MM458771;C=CC12C=CC(NC)C1N2;YABSRRORODGDMS-UHFFFAOYSA-N;136.2;0.04;;;;;DOPC;MDCG;27;1;"MARTINI bead: SNd_SNd";;;;;;;0.87;;-3.54;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM458772;MM458772;CCNCC#CC#CCO;DUTPLDWLCWFWOQ-UHFFFAOYSA-N;137.18;-0.41;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_Nda";;;;;;;0.87;;-3.35;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM458773;MM458773;CNC1C=CC2(C=O)NC12;UANHDAOLEAQPCZ-UHFFFAOYSA-N;138.17;-0.95;;;;;DOPC;MDCG;27;1;"MARTINI bead: SNd_SP1";;;;;;;0.04;;-3.75;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM458774;MM458774;CCNCC#CC#CCF;LBOULKCTEFLVLX-UHFFFAOYSA-N;139.17;0.57;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_C5";;;;;;;1.64;;-1.33;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM458775;MM458775;COC1C=CC2(C=O)NC12;XZPAPUMXNUUHHL-UHFFFAOYSA-N;139.15;-0.52;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNa_SP1";;;;;;;0.04;;-2.54;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM458776;MM458776;CCC#CC#CCOCC;CZPIIBSCRVROIX-UHFFFAOYSA-N;136.19;1.44;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_C3";;;;;;;3.34;;0.48;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM458777;MM458777;C=CC12C=CC(CN)C1O2;JDPPLRMINOXBRC-UHFFFAOYSA-N;137.18;0.45;;;;;DOPC;MDCG;27;1;"MARTINI bead: SNd_SNa";;;;;;;0.87;;-4.57;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM458778;MM458778;CCOCC#CC#CCN;SJXOERLHAPLJKA-UHFFFAOYSA-N;137.18;-0.01;;;;;DOPC;MDCG;27;1;"MARTINI bead: Na_Nd";;;;;;;0.87;;-3.07;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM458779;MM458779;O=CC12C=CC(CO)C1O2;GJWZVSNOJSHAAW-UHFFFAOYSA-N;140.14;-0.5;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNda_SNa";;;;;;;0.87;;-1.99;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM458780;MM458780;CCOCC#CC#CCO;SVHGIMCJESHLBG-UHFFFAOYSA-N;138.17;0.02;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_Nda";;;;;;;1.64;;0.05;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM458781;MM458781;CNC1C=CC2(C=O)OC12;LHPZMKJFCVUSCZ-UHFFFAOYSA-N;139.15;-0.52;;;;;DOPC;MDCG;27;1;"MARTINI bead: SNd_SNa";;;;;;;0.87;;-3.1;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM458782;MM458782;CCOCC#CC#CCF;DLDKZERFKADVDZ-UHFFFAOYSA-N;140.16;1;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_C5";;;;;;;2.41;;0.64;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM458783;MM458783;C=CC12C=CC(CN)N1C2;JEHTYGXRWPNPRC-UHFFFAOYSA-N;136.2;0.12;;;;;DOPC;MDCG;27;1;"MARTINI bead: SP2_SN0";;;;;;;0.06;;-4.15;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM458784;MM458784;C=CC#CC#CCCCC;UTQSGNPQXHKLFI-UHFFFAOYSA-N;132.21;2.37;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1_C4";;;;;;;4.24;;0.42;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM458785;MM458785;N=C(N)C(=O)C(F)=CN;PCOSDQQCXNWPJI-UHFFFAOYSA-N;131.11;-0.74;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda_P3";;;;;;;-1.1;;-3.97;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM458786;MM458786;CCCCC#CC#CC=O;JSXCBWNTQMRNIM-UHFFFAOYSA-N;134.18;1.38;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1_C5";;;;;;;3.68;;0.46;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM458787;MM458787;C=CC12C=NN(C=N)C1C2;PFUGVYCMELCPAS-UHFFFAOYSA-N;135.17;0.84;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC4_SP2";;;;;;;1.09;;-0.37;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM458788;MM458788;CCCCC#CC#CC#N;AKGFKUIXXQAATP-UHFFFAOYSA-N;131.18;1.71;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1_N0";;;;;;;3.21;;0.46;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM458789;MM458789;C=CC12C=NN(C=O)C1C2;SYFIHORPDPVOSQ-UHFFFAOYSA-N;136.15;0.39;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC4_SP2";;;;;;;1.09;;-0.38;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM458790;MM458790;C=CC#CC#CCCCN;DZQLNKUNWJNYMH-UHFFFAOYSA-N;133.19;0.92;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_C4";;;;;;;2.2;;-2.19;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM458791;MM458791;N=CN1N=CC2(C=O)CC12;YKAIYNGIXRCSPY-UHFFFAOYSA-N;137.14;-0.15;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP2_SP1";;;;;;;-1.06;;-3.82;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM458792;MM458792;C=CC#CC#CCCCO;ZICDJCXMOCGMLB-UHFFFAOYSA-N;134.18;0.95;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_C2";;;;;;;2;;0.29;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM458793;MM458793;C=CC12CC1N(C=O)C=N2;CVXNASQQJOIPSZ-UHFFFAOYSA-N;136.15;0.18;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP1_SP2";;;;;;;-1.06;;-3.82;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM458794;MM458794;O=CC#CC#CCCCO;NHLAATMFZNBPRY-UHFFFAOYSA-N;136.15;-0.04;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda_C5";;;;;;;1.64;;0.05;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM458795;MM458795;O=CN1C=NC2(C=O)CC12;IFPZIBVURNQHPF-UHFFFAOYSA-N;138.13;-0.8;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP2_SP2";;;;;;;-1.34;;-4.31;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM458796;MM458796;N#CC#CC#CCCCO;KNZAVZSJHFQDSF-UHFFFAOYSA-N;133.15;0.29;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_C5";;;;;;;0.81;;-0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM458797;MM458797;N#CC12CC1N(C=O)C=N2;WSSZNAHSMDTPFM-UHFFFAOYSA-N;135.13;-0.48;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP2_SP1";;;;;;;-1.06;;-3.82;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM458798;MM458798;C=CC#CC#CCCCF;VAIKGXINPWRSNW-UHFFFAOYSA-N;136.17;1.93;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_C2";;;;;;;3.6;;0.34;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM458799;MM458799;C=CC12CC1N(N=C)C=N2;AHBDBMPIWMYQBG-UHFFFAOYSA-N;135.17;0.64;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP1_SP1";;;;;;;-0.79;;-3.13;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM458800;MM458800;C=CC#CC#CCCNC;CBWWWYRDYRNZJV-UHFFFAOYSA-N;133.19;0.79;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1_C2";;;;;;;2;;-1.04;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM458801;MM458801;C=NN1C=NC2(C=O)CC12;FWFITTLDXRXLJX-UHFFFAOYSA-N;137.14;-0.34;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP1_SP2";;;;;;;-1.06;;-3.82;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM458802;MM458802;CNCCC#CC#CC=O;VHTMMGREYKFHAN-UHFFFAOYSA-N;135.17;-0.2;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_C5";;;;;;;1.64;;-2.19;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM458803;MM458803;C=NN1C=NC2(C#N)CC12;NQXUCLHDYZOVHJ-UHFFFAOYSA-N;134.14;-0.02;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP1_SP1";;;;;;;-0.79;;-3.13;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM458804;MM458804;CNCCC#CC#CC#N;BGTWOQWVTSPOLW-UHFFFAOYSA-N;132.17;0.13;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_N0";;;;;;;1.17;;-3.42;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM458805;MM458805;C=CC12C=CC(C#N)C1N2;GMAVVUDFUAHYHD-UHFFFAOYSA-N;132.17;0.59;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP1_SN0";;;;;;;0.34;;-1.53;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM458806;MM458806;C=CC#CC#CCCOC;LAWCXKIQTIFKHL-UHFFFAOYSA-N;134.18;1.22;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_C4";;;;;;;2.2;;0.34;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM458807;MM458807;C=CC1C=CC2(C=O)NC12;NTTJQKUXCBKSSZ-UHFFFAOYSA-N;135.17;0.27;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC4_SP1";;;;;;;1.37;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM458808;MM458808;COCCC#CC#CC=O;KYAAEZOJMGHJKG-UHFFFAOYSA-N;136.15;0.23;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_C5";;;;;;;1.64;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM458809;MM458809;CC1N=C(N)C(=O)C1C;ZRBKFNPNWAKLSB-UHFFFAOYSA-N;126.16;-0.05;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC5_SP1";;;;;;;0.81;;-0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM458810;MM458810;COCCC#CC#CC#N;OCQKKLJUNIWOIL-UHFFFAOYSA-N;133.15;0.55;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_N0";;;;;;;1.17;;-1.18;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM458811;MM458811;N#CC1C=CC2(C=O)NC12;GNVHFJUSKOJXNI-UHFFFAOYSA-N;134.14;-0.39;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP2_SN0";;;;;;;0.06;;-2.21;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM458812;MM458812;C=CC#CC#CCNCC;YLBMZUPPIPRNCB-UHFFFAOYSA-N;133.19;0.79;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_C4";;;;;;;2.2;;-0.86;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM458813;MM458813;C=CC12C=CC(C#N)C1O2;QRCDNNDGSYQWJN-UHFFFAOYSA-N;133.15;1.02;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNa_SN0";;;;;;;1.17;;-1.18;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM458814;MM458814;CCNCC#CC#CC=O;NTPOREUOPXEBPU-UHFFFAOYSA-N;135.17;-0.2;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_C5";;;;;;;1.64;;-1.18;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM458815;MM458815;C=CC1C=CC2(C=O)OC12;FPIJCFGFKXIDCA-UHFFFAOYSA-N;136.15;0.69;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC4_SNa";;;;;;;2.2;;0.34;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM458816;MM458816;CCNCC#CC#CC#N;IZMHSDCZKAGVLQ-UHFFFAOYSA-N;132.17;0.13;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_N0";;;;;;;1.17;;-2.39;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM458817;MM458817;C=CC(C#N)=C(N)C#N;HBFLHORAMSTOJI-UHFFFAOYSA-N;119.13;0.43;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_N0";;;;;;;0.34;;-1.53;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM458818;MM458818;C=CC#CC#CCOCC;BOICLVDRHPOMCM-UHFFFAOYSA-N;134.18;1.22;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_C4";;;;;;;2.2;;0.34;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM458819;MM458819;C=CC12C=CC(C#N)N1C2;DOVWSQOAMUATNX-UHFFFAOYSA-N;132.17;0.69;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP1_SP1";;;;;;;-0.79;;-3.13;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM458820;MM458820;CCOCC#CC#CC=O;AMBUWQXTNUGHND-UHFFFAOYSA-N;136.15;0.23;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_C5";;;;;;;2.41;;0.64;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM458821;MM458821;C=CC1C=CC2(C=O)CN12;YLPCBDBAHZEZHO-UHFFFAOYSA-N;135.17;0.36;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNd_SP1";;;;;;;0.04;;-2.63;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM458822;MM458822;CCOCC#CC#CC#N;BCRDNNPFEFXCDR-UHFFFAOYSA-N;133.15;0.55;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_N0";;;;;;;1.17;;-1.18;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM458823;MM458823;CCC1CC(NN)=NO1;OAWXDTIQKVHYSI-UHFFFAOYSA-N;129.16;-0.04;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC5_SP2";;;;;;;0.54;;-1.09;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM458824;MM458824;C#CC#CC#CCCCC;YQYBQRVVZXSRJY-UHFFFAOYSA-N;130.19;1.82;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1_C4";;;;;;;4.24;;0.42;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM458825;MM458825;N#CC1C=CC2(C=O)CN12;RJPNROZDJOVDQD-UHFFFAOYSA-N;134.14;-0.3;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP2_SP1";;;;;;;-1.06;;-3.82;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM458826;MM458826;C#CC#CC#CCCCN;OEAYFJVEAGVXDD-UHFFFAOYSA-N;131.18;0.37;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1_C1";;;;;;;2.08;;-1.15;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM458827;MM458827;C=CC12C=CN(C=N)N1C2;SJLCBSRBSHCJMH-UHFFFAOYSA-N;135.17;0.58;;;;;DOPC;MDCG;27;1;"MARTINI bead: SP1_SP3";;;;;;;-1.93;;-6.82;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM458828;MM458828;C#CC#CC#CCCCO;NTHWDUBPAAURME-UHFFFAOYSA-N;132.16;0.4;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda_C4";;;;;;;2.2;;0.49;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM458829;MM458829;C=CC12C=CN(C=O)N1C2;RTMDLZTUXUHPOP-UHFFFAOYSA-N;136.15;0.13;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP1_SP2";;;;;;;-1.06;;-3.82;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM458830;MM458830;C#CC#CC#CCCCF;YYONHRQAQLXYHR-UHFFFAOYSA-N;134.15;1.38;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_C1";;;;;;;3.68;;0.46;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM458831;MM458831;N=CN1C=CC2(C=O)CN12;ZRBTVPLIYYDJTQ-UHFFFAOYSA-N;137.14;-0.41;;;;;DOPC;MDCG;27;1;"MARTINI bead: SP3_SP3";;;;;;;-3.07;;-8.21;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM458832;MM458832;C#CC#CC#CCCNC;UFJIHVSMAJBGLY-UHFFFAOYSA-N;131.18;0.24;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_C4";;;;;;;2.2;;-1.82;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM458833;MM458833;C#CC1C=CC2(C=C)CC12;RLKSKEXKTNXAGL-UHFFFAOYSA-N;130.19;2;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC4_SC5";;;;;;;2.97;;0.45;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM458834;MM458834;C#CC#CC#CCCOC;LTZXGYZEZLVNCR-UHFFFAOYSA-N;132.16;0.66;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_C4";;;;;;;2.2;;0.34;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM458835;MM458835;C#CC1C=CC2(C=C)NC12;CKBKGYZIOQUGIR-UHFFFAOYSA-N;131.18;0.7;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP1_SC5";;;;;;;0.81;;-0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM458836;MM458836;C#CC#CC#CCNCC;ZWQZWHFIXRGDQG-UHFFFAOYSA-N;131.18;0.24;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_C4";;;;;;;2.2;;-0.83;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM458837;MM458837;C#CC1C=CC2(C=O)NC12;QQASKDDQUKLYBM-UHFFFAOYSA-N;133.15;-0.28;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP2_SC5";;;;;;;0.54;;-1.09;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM458838;MM458838;C#CC#CC#CCOCC;ILCMIURYNIAIOQ-UHFFFAOYSA-N;132.16;0.66;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_C4";;;;;;;2.2;;0.34;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM458839;MM458839;C=CCCC#CC#CCC;KDWMUVNOAIORFQ-UHFFFAOYSA-N;132.21;2.37;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_C3";;;;;;;3.34;;0.48;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM458840;MM458840;C#CC1C=CC2(C=C)OC12;URQKKUYJGQYBAK-UHFFFAOYSA-N;132.16;1.13;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNa_SC5";;;;;;;1.64;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM458841;MM458841;C=CCCC#CC#CCN;GPYMDLVADQOYDW-UHFFFAOYSA-N;133.19;0.92;;;;;DOPC;MDCG;27;1;"MARTINI bead: P2_C3";;;;;;;1.46;;-1.24;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM458842;MM458842;C#CC1C=CC2(C=O)OC12;GIUSHNUJQLGSOX-UHFFFAOYSA-N;134.13;0.14;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP1_SC5";;;;;;;0.81;;-0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM458843;MM458843;C=CCCC#CC#CCO;FHDWUYRATTVJRZ-UHFFFAOYSA-N;134.18;0.95;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_C3";;;;;;;1.46;;-0.15;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM458844;MM458844;C#CC1C=CC2(C=C)CN12;MLGVNPFHQUSTCR-UHFFFAOYSA-N;131.18;0.8;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP1_SP1";;;;;;;-0.79;;-3.13;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM458845;MM458845;C=CCCC#CC#CCF;KTZUEWVGFQYUFZ-UHFFFAOYSA-N;136.17;1.93;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_C3";;;;;;;2.57;;0.45;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM458846;MM458846;C#CC1C=CC2(C=O)CN12;STUKFRQQKQDTOO-UHFFFAOYSA-N;133.15;-0.19;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP2_SP1";;;;;;;-1.06;;-3.82;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM458847;MM458847;CCC#CC#CCCC#N;UYGLMVZYEQIOCM-UHFFFAOYSA-N;131.18;1.71;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_N0";;;;;;;1.94;;0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM458848;MM458848;C#CC12CC1N(OC)C=N2;VNFUJUIKMPWGAS-UHFFFAOYSA-N;136.15;0.04;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP1_SP1";;;;;;;-0.79;;-3.13;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM458849;MM458849;O=CCCC#CC#CCO;IYFBAPYRNWXLMM-UHFFFAOYSA-N;136.15;-0.04;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda_Na";;;;;;;0.87;;-1.99;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM458850;MM458850;C#CC12CC1N(C=C)C=N2;PTFCKJUDQNFOHL-UHFFFAOYSA-N;132.17;0.62;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP1_SP1";;;;;;;-0.79;;-3.13;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM458851;MM458851;N#CCCC#CC#CCO;RIDCYCPLNGQYLI-UHFFFAOYSA-N;133.15;0.29;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_P1";;;;;;;0.81;;-0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM458852;MM458852;C#CC12CC1N(C=O)C=N2;ZEBIHAVFAUYSBC-UHFFFAOYSA-N;134.14;-0.37;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP2_SP1";;;;;;;-1.06;;-3.82;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM458853;MM458853;N#CCCC#CC#CCF;NDFGNCDFKOIFNE-UHFFFAOYSA-N;135.14;1.27;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_N0";;;;;;;1.17;;-1.18;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM458854;MM458854;C#CC12CC1N(N=C)C=N2;FFKDQSRCKKWGOX-UHFFFAOYSA-N;133.15;0.09;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP1_SP1";;;;;;;-0.79;;-3.13;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM458855;MM458855;CCC#CC#CCNC=N;DEQFXCQZXRVOER-UHFFFAOYSA-N;134.18;0.6;;;;;DOPC;MDCG;27;1;"MARTINI bead: C2_P3";;;;;;;0.86;;-3.05;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM458856;MM458856;CC=C1C=CC2(CC)CC12;OKNVQHOUVANGBG-UHFFFAOYSA-N;134.22;2.92;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC3_SC3";;;;;;;4.27;;0.2;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM458857;MM458857;N=CNCC#CC#CCO;AJIUHAQRSATPAD-UHFFFAOYSA-N;136.15;-0.82;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nda_P2";;;;;;;-0.24;;-6.23;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM458858;MM458858;CCC12C=CC(=CF)C1C2;HXAGEVNFFCNNPJ-UHFFFAOYSA-N;138.19;2.83;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC3_SC4";;;;;;;3.9;;0.47;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM458859;MM458859;N=CNCC#CC#CCF;MFXQTUCZSZFGQG-UHFFFAOYSA-N;138.15;0.16;;;;;DOPC;MDCG;27;1;"MARTINI bead: C5_P2";;;;;;;0.54;;-4.02;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM458860;MM458860;CC=C1C=CC2(CN)CC12;PMXZIIHOXVWZSY-UHFFFAOYSA-N;135.21;1.47;;;;;DOPC;MDCG;27;1;"MARTINI bead: SC3_SNd";;;;;;;2.57;;-1.16;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM458861;MM458861;CCC#CC#CCNC=O;ROIQEKAOPCGKCR-UHFFFAOYSA-N;135.17;0.15;;;;;DOPC;MDCG;27;0;"MARTINI bead: C2_P3";;;;;;;0.86;;-0.3;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM458862;MM458862;NCC12C=CC(=CF)C1C2;BEASXIOGYSRCMO-UHFFFAOYSA-N;139.17;1.37;;;;;DOPC;MDCG;27;1;"MARTINI bead: SNd_SC4";;;;;;;2.2;;-1.86;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM458863;MM458863;O=CNCC#CC#CCO;IBPMYPMTTSHWNY-UHFFFAOYSA-N;137.14;-1.27;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_P3";;;;;;;-0.33;;-2.01;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM458864;MM458864;C=CC1ONC(=NC)O1;IXYRAGKFEVPAES-UHFFFAOYSA-N;128.13;0.04;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP2_SP1";;;;;;;-1.06;;-3.82;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM458865;MM458865;O=CNCC#CC#CCF;HAKKZKLZIILAPT-UHFFFAOYSA-N;139.13;-0.29;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_P1";;;;;;;0.81;;-0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM458866;MM458866;C#CCNN=CCC=C;MRNZUDPPMFEDFD-UHFFFAOYSA-N;122.17;0.77;;;;;DOPC;MDCG;27;0;"MARTINI bead: C3_P3";;;;;;;0.6;;-0.8;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM458867;MM458867;C=NNC(=CC#N)CF;XARHCAQEYPUQSQ-UHFFFAOYSA-N;127.12;0.57;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_Nd";;;;;;;0.87;;-1.88;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM458868;MM458868;CC=C1C=CC2(CF)CC12;ZWIOPGDOTKKHAC-UHFFFAOYSA-N;138.19;2.48;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC3_SC5";;;;;;;3.34;;0.48;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM458869;MM458869;C=NNCC#CC#CCN;OSBLVPILOVESLG-UHFFFAOYSA-N;135.17;-0.84;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_Nd";;;;;;;0.87;;-3.31;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM458870;MM458870;FC=C1C=CC2(CF)CC12;XKBMAXPYQUWWLB-UHFFFAOYSA-N;142.15;2.39;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC5_SC4";;;;;;;2.97;;0.45;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM458871;MM458871;C=COCC#CC#CCC;WBVXYTHMIGOPRK-UHFFFAOYSA-N;134.18;1.56;;;;;DOPC;MDCG;27;0;"MARTINI bead: C2_Na";;;;;;;2.83;;0.35;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM458872;MM458872;CCC12C=CC(=NN)C1C2;JGOCUYREUXKZSI-UHFFFAOYSA-N;136.2;1.29;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC3_SNd";;;;;;;2.57;;0.53;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM458873;MM458873;C=COCC#CC#CCN;ADACTALNTCECSV-UHFFFAOYSA-N;135.17;0.11;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_C5";;;;;;;1.64;;-1.09;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM458874;MM458874;CCC12C=CC(=NO)C1C2;FXHRVYUKDGXHFJ-UHFFFAOYSA-N;137.18;1.8;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC3_SNda";;;;;;;2.57;;0.44;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM458875;MM458875;C=COCC#CC#CCO;HWOGWJJHSGMGPO-UHFFFAOYSA-N;136.15;0.15;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda_Na";;;;;;;0.87;;-1.99;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM458876;MM458876;NCC12C=CC(=NO)C1C2;IDRYWPIEBDYPCD-UHFFFAOYSA-N;138.17;0.35;;;;;DOPC;MDCG;27;1;"MARTINI bead: SNd_SNda";;;;;;;0.87;;-4.29;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM458877;MM458877;C=COCC#CC#CCF;RLILGKRRHCITRM-UHFFFAOYSA-N;138.14;1.12;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_C5";;;;;;;2.41;;0.64;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM458878;MM458878;C#CCNN=CC(C)(C)C;QMMOCYPXUYKOBR-UHFFFAOYSA-N;138.21;1.24;;;;;DOPC;MDCG;27;0;"MARTINI bead: C3_P1";;;;;;;1.74;;0.29;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM458879;MM458879;CCC#CC#CCOC=O;GNKFTGDUPCPIHF-UHFFFAOYSA-N;136.15;0.58;;;;;DOPC;MDCG;27;0;"MARTINI bead: C2_P1";;;;;;;2;;0.29;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM458880;MM458880;OCC12C=CC(=NO)C1C2;BKMYMKPUYRHVBL-UHFFFAOYSA-N;139.15;0.39;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNda_SNda";;;;;;;0.87;;-2.07;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM458881;MM458881;O=COCC#CC#CCO;IDJDKFZEHOMWTH-UHFFFAOYSA-N;138.12;-0.84;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda_Na";;;;;;;0.87;;-1.99;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM458882;MM458882;NN=C1C=CC2(CF)CC12;YICUUEGTDXHEKB-UHFFFAOYSA-N;140.16;0.85;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNd_SC5";;;;;;;1.64;;0.02;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM458883;MM458883;O=COCC#CC#CCF;BKJMAIRUEAZJRP-UHFFFAOYSA-N;140.11;0.14;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_Na";;;;;;;1.64;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM458884;MM458884;ON=C1C=CC2(CF)CC12;SBDPEKYEYYHOFD-UHFFFAOYSA-N;141.15;1.36;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNda_SC5";;;;;;;1.64;;0.05;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM458885;MM458885;C=NOCC#CC#CCC;SPDZGTXMVRCQOX-UHFFFAOYSA-N;135.17;1.04;;;;;DOPC;MDCG;27;0;"MARTINI bead: C2_P1";;;;;;;2;;0.29;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM458886;MM458886;CC=C1C=CC2(NC)CC12;KOFQWHRYNVXTHL-UHFFFAOYSA-N;135.21;1.48;;;;;DOPC;MDCG;27;1;"MARTINI bead: SNd_SC3";;;;;;;2.57;;-0.72;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM458887;MM458887;Cc1nn(C)c(F)c1N;WBTWAABZCMGLES-UHFFFAOYSA-N;129.14;0.45;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNa_SNda";;;;;;;0.87;;-1.99;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM458888;MM458888;CNC12C=CC(=CF)C1C2;ADVITKHXTQMNJZ-UHFFFAOYSA-N;139.17;1.39;;;;;DOPC;MDCG;27;1;"MARTINI bead: SNd_SC4";;;;;;;2.2;;-1.41;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM458889;MM458889;C=NOCC#CC#CCF;DUZRFHNGEXHRMH-UHFFFAOYSA-N;139.13;0.59;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_Na";;;;;;;1.64;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM458890;MM458890;CNC12C=CC(=NN)C1C2;BVAMXSNHEAXPPE-UHFFFAOYSA-N;137.19;-0.15;;;;;DOPC;MDCG;27;1;"MARTINI bead: SNd_SNd";;;;;;;0.87;;-3.6;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM458891;MM458891;C=CC#CC#CCCC=C;VCRGYXFNQNUVKW-UHFFFAOYSA-N;130.19;2.15;;;;;DOPC;MDCG;27;0;"MARTINI bead: C3_C4";;;;;;;3.9;;0.47;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM458892;MM458892;CNC12C=CC(=NO)C1C2;ZLAPFVDYYJEUOX-UHFFFAOYSA-N;138.17;0.36;;;;;DOPC;MDCG;27;1;"MARTINI bead: SNd_SNda";;;;;;;0.87;;-3.39;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM458893;MM458893;C=CCCC#CC#CC=O;ROCWGRYBCRJWIU-UHFFFAOYSA-N;132.16;1.16;;;;;DOPC;MDCG;27;0;"MARTINI bead: C3_P1";;;;;;;1.74;;0.29;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM458894;MM458894;COC12C=CC(=CF)C1C2;LJDXEIFKUSCIIF-UHFFFAOYSA-N;140.16;1.81;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNa_SC4";;;;;;;2.2;;0.34;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM458895;MM458895;C=CC#CC#CCCC=O;QIRHZIBVMKKXEJ-UHFFFAOYSA-N;132.16;1.16;;;;;DOPC;MDCG;27;0;"MARTINI bead: C2_Na";;;;;;;2.83;;0.35;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM458896;MM458896;CCC12C=CC(=CF)C1N2;FHVWCECDLPDNTD-UHFFFAOYSA-N;139.17;1.53;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNd_SC4";;;;;;;2.2;;0.32;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM458897;MM458897;C=CC#CC#CCCC#N;NZTOMDVUDIAZRR-UHFFFAOYSA-N;129.16;1.48;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4_P1";;;;;;;1.37;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM458898;MM458898;CC=C1C=CC2(CN)NC12;HJMNVHHHNFFPJF-UHFFFAOYSA-N;136.2;0.17;;;;;DOPC;MDCG;27;1;"MARTINI bead: SC3_SP2";;;;;;;1.46;;-1.95;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM458899;MM458899;O=CC#CC#CCCC=O;KDIGJCFUFNBVSQ-UHFFFAOYSA-N;134.13;0.17;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_C5";;;;;;;2.41;;0.64;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM458900;MM458900;NCC12C=CC(=CF)C1N2;GGLPOZPCVQFOIY-UHFFFAOYSA-N;140.16;0.08;;;;;DOPC;MDCG;27;1;"MARTINI bead: SP2_SC4";;;;;;;1.09;;-2.26;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM458901;MM458901;N#CCCC#CC#CC=O;XBFKXEDITUNLBO-UHFFFAOYSA-N;131.13;0.5;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_N0";;;;;;;1.94;;0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM458902;MM458902;C=NNC(C)(C)C#CCF;NHHAETHJFPIYMF-UHFFFAOYSA-N;142.18;0.94;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nd_Na";;;;;;;0.87;;-1.88;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM458903;MM458903;N#CC#CC#CCCC=O;RCWANBOBYDFXNY-UHFFFAOYSA-N;131.13;0.5;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_C5";;;;;;;1.64;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM458904;MM458904;C=CC#CC(C)(C)NN=C;JVRYPWSYOWNFKN-UHFFFAOYSA-N;136.2;1.16;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nd_N0";;;;;;;1.17;;-1.04;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM458905;MM458905;N#CC#CC#CCCC#N;NSXCMQAHULNQEL-UHFFFAOYSA-N;128.13;0.82;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_N0";;;;;;;0.34;;-1.53;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM458906;MM458906;CC=C1C=CC2(CF)NC12;GBCGPCXLWKPNLA-UHFFFAOYSA-N;139.17;1.18;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC3_SNda";;;;;;;2.57;;0.44;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM458907;MM458907;C=CC#CC#CCNC=N;UJQOKVXBZDUYCC-UHFFFAOYSA-N;132.17;0.38;;;;;DOPC;MDCG;27;1;"MARTINI bead: C2_P3";;;;;;;0.86;;-3.05;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM458908;MM458908;CCC12C=CC(=NN)C1N2;QCQSBOKCTZZMEK-UHFFFAOYSA-N;137.19;-0.01;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNd_SNd";;;;;;;0.87;;-2.11;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM458909;MM458909;N=CNCC#CC#CC=O;VCEPJZVRXBXTJA-UHFFFAOYSA-N;134.14;-0.61;;;;;DOPC;MDCG;27;1;"MARTINI bead: P2_C5";;;;;;;0.54;;-4.02;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM458910;MM458910;NCC12C=CC(=NO)C1N2;SIQWHEWGLPILES-UHFFFAOYSA-N;139.16;-0.94;;;;;DOPC;MDCG;27;1;"MARTINI bead: SP2_SNda";;;;;;;-0.24;;-5.15;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM458911;MM458911;C=CC#CC#CCNC=O;FPKXYVONISSJTK-UHFFFAOYSA-N;133.15;-0.07;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4_P1";;;;;;;1.37;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM458912;MM458912;OCC12C=CC(=NO)C1N2;DMZGNRLLAVVKDD-UHFFFAOYSA-N;140.14;-0.91;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP2_SNda";;;;;;;-0.24;;-3.31;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM458913;MM458913;O=CC#CC#CCNC=O;NNVPNVLTTQUESH-UHFFFAOYSA-N;135.12;-1.06;;;;;DOPC;MDCG;27;0;"MARTINI bead: P3_C4";;;;;;;0.23;;-1.03;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM458914;MM458914;NN=C1C=CC2(CF)NC12;BXKRMSHNGXTYIT-UHFFFAOYSA-N;141.15;-0.45;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNd_SNda";;;;;;;0.87;;-1.92;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM458915;MM458915;N#CC#CC#CCNC=O;AQPHJGPKPRDXNQ-UHFFFAOYSA-N;132.12;-0.74;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_N0";;;;;;;0.34;;-1.53;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM458916;MM458916;ON=C1C=CC2(CF)NC12;WUICJTXRJAWKNU-UHFFFAOYSA-N;142.13;0.07;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNda_SNda";;;;;;;0.87;;-2.07;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM458917;MM458917;N=c1c(NN)non1N;YAJQCDWBJCDHLJ-UHFFFAOYSA-N;130.11;-2.05;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP1_SP3";;;;;;;-1.93;;-4.72;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM458918;MM458918;CC=C1C=CC2(CC)OC12;HHCXSHPRCXQFEN-UHFFFAOYSA-N;136.19;2.05;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNa_SC3";;;;;;;2.57;;0.45;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM458919;MM458919;C#CCNC(C#N)=NC;OPQUNGXDVJZENR-UHFFFAOYSA-N;121.14;-0.24;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_N0";;;;;;;0.06;;-2.21;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM458920;MM458920;CCC12C=CC(=CF)C1O2;BXKHDNKDFJMWLK-UHFFFAOYSA-N;140.16;1.96;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNa_SC4";;;;;;;2.2;;0.34;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM458921;MM458921;CC=C1C=CC2(CN)OC12;RRDKZPDVAMZTNE-UHFFFAOYSA-N;137.18;0.6;;;;;DOPC;MDCG;27;1;"MARTINI bead: SC3_SP1";;;;;;;1.74;;-1.32;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM458922;MM458922;NC=C1CC2CN2C1=O;CRXXZBFDODJMDJ-UHFFFAOYSA-N;124.14;-0.56;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP2_SP1";;;;;;;-1.06;;-3.82;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM458923;MM458923;NCC12C=CC(=CF)C1O2;OQEXNJALHCAFEB-UHFFFAOYSA-N;141.15;0.51;;;;;DOPC;MDCG;27;1;"MARTINI bead: SP2_SC4";;;;;;;1.09;;-2.32;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM458924;MM458924;C=CC#CC#CCOC=C;CPHXLFYMERVDAK-UHFFFAOYSA-N;132.16;1.34;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_C4";;;;;;;2.2;;0.34;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM458925;MM458925;C=COCC#CC#CC=O;CVVBNVCUKYHXJV-UHFFFAOYSA-N;134.13;0.35;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_Na";;;;;;;0.87;;-2.22;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM458926;MM458926;OCC12C=CC(=CF)C1O2;QKBDUCBPVRFZAT-UHFFFAOYSA-N;142.13;0.54;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP1_SC4";;;;;;;1.37;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM458927;MM458927;C=COCC#CC#CC#N;JJCPMTNPAVRXIC-UHFFFAOYSA-N;131.13;0.68;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_N0";;;;;;;1.17;;-1.18;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM458928;MM458928;CC=C1C=CC2(CF)OC12;AYTCIAVXJGVTMS-UHFFFAOYSA-N;140.16;1.61;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC3_SNa";;;;;;;2.57;;0.45;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM458929;MM458929;C=CC#CC#CCOC=O;YMPSIUFHQGLFSH-UHFFFAOYSA-N;134.13;0.35;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4_P1";;;;;;;1.37;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM458930;MM458930;FC=C1C=CC2(CF)OC12;CXRAJSCKEZRSEF-UHFFFAOYSA-N;144.12;1.52;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNa_SC4";;;;;;;2.2;;0.34;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM458931;MM458931;O=CC#CC#CCOC=O;GFRNOMAEAHQEGI-UHFFFAOYSA-N;136.11;-0.63;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_C4";;;;;;;1.37;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM458932;MM458932;CCC12C=CC(=NN)C1O2;DPLSIRBITXWYNY-UHFFFAOYSA-N;138.17;0.42;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNa_SNd";;;;;;;0.87;;-1.88;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM458933;MM458933;N#CC#CC#CCOC=O;UWZYHMBJTOTNMQ-UHFFFAOYSA-N;133.11;-0.31;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_C5";;;;;;;0.81;;-0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM458934;MM458934;CCC12C=CC(=NO)C1O2;YQVJPEKAWJWJGQ-UHFFFAOYSA-N;139.15;0.93;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNa_SNda";;;;;;;0.87;;-1.99;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM458935;MM458935;C=CC#CC#CCON=C;HNDPANFOKFVZJX-UHFFFAOYSA-N;133.15;0.81;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4_P1";;;;;;;1.37;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM458936;MM458936;NCC12C=CC(=NO)C1O2;UVJRULDQKNOTBX-UHFFFAOYSA-N;140.14;-0.52;;;;;DOPC;MDCG;27;1;"MARTINI bead: SP2_SNda";;;;;;;-0.24;;-6.15;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM458937;MM458937;C=NOCC#CC#CC=O;FVNDXMYKYGFQLV-UHFFFAOYSA-N;135.12;-0.18;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_C4";;;;;;;1.37;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM458938;MM458938;CC=NN=CCOC(C)=O;NMSCOVFIWCNNJT-UHFFFAOYSA-N;142.16;0.63;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_Na";;;;;;;1.64;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM458939;MM458939;C=NOCC#CC#CC#N;GNOMDLLXSYCNLY-UHFFFAOYSA-N;132.12;0.15;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_N0";;;;;;;1.17;;-1.18;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM458940;MM458940;OCC12C=CC(=NO)C1O2;CCQFDFLXHCHBNP-UHFFFAOYSA-N;141.13;-0.48;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP1_SNda";;;;;;;0.04;;-2.73;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM458941;MM458941;C#CC#CC#CCCC=C;NVLQSNNCVWKCHG-UHFFFAOYSA-N;128.17;1.59;;;;;DOPC;MDCG;27;0;"MARTINI bead: C3_C4";;;;;;;3.9;;0.47;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM458942;MM458942;NN=C1C=CC2(CF)OC12;WTFDNJRXIGGHGX-UHFFFAOYSA-N;142.13;-0.02;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNd_SNa";;;;;;;0.87;;-1.88;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM458943;MM458943;C#CC#CC#CCCC=O;QXIWOKWVZNMKSQ-UHFFFAOYSA-N;130.15;0.61;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_C1";;;;;;;2.91;;0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM458944;MM458944;ON=C1C=CC2(CF)OC12;RRTMTWHANQSLHS-UHFFFAOYSA-N;143.12;0.49;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNda_SNa";;;;;;;0.87;;-1.99;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM458945;MM458945;C#CC#CC#CCCC#N;VEUQQESZUFJCSU-UHFFFAOYSA-N;127.15;0.93;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4_P1";;;;;;;1.37;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM458946;MM458946;CCC12C=CC(=NC)N1C2;NTWPDCMLWJLLLO-UHFFFAOYSA-N;136.2;1.05;;;;;DOPC;MDCG;27;1;"MARTINI bead: SN0_SNd";;;;;;;1.17;;-2.7;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM458947;MM458947;C#CC#CC#CCNC=N;GRYVXYYPWSLLID-UHFFFAOYSA-N;130.15;-0.18;;;;;DOPC;MDCG;27;1;"MARTINI bead: P3_C1";;;;;;;0.94;;-2.67;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM458948;MM458948;CCC12C=CC(=NO)N1C2;GIKZDLTYBRMKOM-UHFFFAOYSA-N;138.17;0.81;;;;;DOPC;MDCG;27;0;"MARTINI bead: SN0_SP1";;;;;;;0.34;;-1.53;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM458949;MM458949;C#CC#CC#CCNC=O;JOKZWYSNJHORAA-UHFFFAOYSA-N;131.13;-0.63;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_C4";;;;;;;1.37;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM458950;MM458950;CN=C1C=CC2(CO)CN12;KJXNIGRMJAZETN-UHFFFAOYSA-N;138.17;-0.37;;;;;DOPC;MDCG;27;1;"MARTINI bead: SNd_SP1";;;;;;;0.04;;-3.65;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM458951;MM458951;C=NNCC(=O)OC(C)C;JIAXICLQFPTAIH-UHFFFAOYSA-N;144.17;0.14;;;;;DOPC;MDCG;27;0;"MARTINI bead: C3_P4";;;;;;;0.52;;-1.59;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM458952;MM458952;C=NN=COC(=N)NOC;BYKSEPFUEXIRDT-UHFFFAOYSA-N;144.13;-0.27;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_N0";;;;;;;0.06;;-2.21;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM458953;MM458953;C#CC#CC#CCOC=C;FGSFQUHLPNRHJO-UHFFFAOYSA-N;130.15;0.79;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_C4";;;;;;;2.2;;0.34;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM458954;MM458954;C=CC12C=CC(=CC)C1C2;OCHBJERNFDIZBG-UHFFFAOYSA-N;132.21;2.69;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC3_SC3";;;;;;;4.27;;0.2;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM458955;MM458955;C#CC#CC#CCOC=O;ARYHFORLWJSUAN-UHFFFAOYSA-N;132.12;-0.2;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_C4";;;;;;;1.37;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM458956;MM458956;C=CC12C=CC(=CF)C1C2;FMHZFGWDPAPSDW-UHFFFAOYSA-N;136.17;2.6;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC4_SC3";;;;;;;3.9;;0.47;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM458957;MM458957;C#CC#CC#CCON=C;AVADWIFWMAOTBB-UHFFFAOYSA-N;131.13;0.26;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_C4";;;;;;;1.37;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM458958;MM458958;CC=C1C=CC2(C#N)CC12;FYICTQHCLGOBBV-UHFFFAOYSA-N;131.18;2.03;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC3_SN0";;;;;;;2.87;;0.37;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM458959;MM458959;C#CCCC#CC#CCC;COCUODBVVZOJIR-UHFFFAOYSA-N;130.19;1.82;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_C5";;;;;;;2.41;;0.64;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM458960;MM458960;O=CC12C=CC(=CF)C1C2;NAQGWFAKKPMUBD-UHFFFAOYSA-N;138.14;1.61;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC4_SNa";;;;;;;2.2;;0.34;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM458961;MM458961;C#CCCC#CC#CCN;WCCOZQONHVEMLR-UHFFFAOYSA-N;131.18;0.37;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_C3";;;;;;;2.57;;-0.01;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM458962;MM458962;N#CC12C=CC(=CF)C1C2;JGZMDFJPBDQPPO-UHFFFAOYSA-N;135.14;1.94;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC4_SN0";;;;;;;2.5;;0.44;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM458963;MM458963;C#CCCC#CC#CCO;OIXYJGWFMIIWCN-UHFFFAOYSA-N;132.16;0.4;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda_C3";;;;;;;2.57;;0.44;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM458964;MM458964;C=CC12C=CC(=NN)C1C2;UVLHOAFOMPFWMU-UHFFFAOYSA-N;134.18;1.06;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNd_SC3";;;;;;;2.57;;0.53;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM458965;MM458965;C#CCCC#CC#CCF;DHASAMIEKUMSLB-UHFFFAOYSA-N;134.15;1.38;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_C5";;;;;;;1.64;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM458966;MM458966;C=CC12C=CC(=NO)C1C2;QFVQTABPXXBAAD-UHFFFAOYSA-N;135.17;1.58;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNda_SC3";;;;;;;2.57;;0.44;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM458967;MM458967;C#CCCC#CC#CC=C;HMWRPJIDXPUFEW-UHFFFAOYSA-N;128.17;1.59;;;;;DOPC;MDCG;27;0;"MARTINI bead: N0_C5";;;;;;;1.94;;0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM458968;MM458968;O=CC12C=CC(=NO)C1C2;XBWBMKJQPWBJMV-UHFFFAOYSA-N;137.14;0.59;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNda_SNa";;;;;;;0.87;;-1.99;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM458969;MM458969;C#CCCC#CC#CC=O;CLUKFOMTRWGFDH-UHFFFAOYSA-N;130.15;0.61;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_C3";;;;;;;3.34;;0.48;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM458970;MM458970;N#CC12C=CC(=NO)C1C2;HJEJWZFFABGMAX-UHFFFAOYSA-N;134.14;0.92;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNda_SN0";;;;;;;1.17;;-1.13;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM458971;MM458971;CC=CCC#CC#CCC;DQDZGPZVRUMDFD-UHFFFAOYSA-N;132.21;2.37;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_C3";;;;;;;3.34;;0.48;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM458972;MM458972;C=CC12C=CC(=CF)C1N2;RXZLCHYCMLYOMQ-UHFFFAOYSA-N;137.16;1.31;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC4_SNd";;;;;;;2.2;;0.32;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM458973;MM458973;CC=CCC#CC#CCN;MLGPUONFRWDVEJ-UHFFFAOYSA-N;133.19;0.92;;;;;DOPC;MDCG;27;1;"MARTINI bead: C3_P2";;;;;;;1.46;;-1.24;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM458974;MM458974;CC=C1C=CC2(C=O)NC12;XXQKDBDADYTLTJ-UHFFFAOYSA-N;135.17;0.41;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC3_SP1";;;;;;;1.74;;0.29;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM458975;MM458975;CC=CCC#CC#CCO;SQJGMJJCEGQOPZ-UHFFFAOYSA-N;134.18;0.95;;;;;DOPC;MDCG;27;0;"MARTINI bead: C3_P2";;;;;;;1.46;;-0.15;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM458976;MM458976;O=CC12C=CC(=CF)C1N2;FISGEAGKMIWLKA-UHFFFAOYSA-N;139.13;0.32;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC4_SP1";;;;;;;1.37;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM458977;MM458977;CC=CCC#CC#CCF;DOUPLOZBFVEUIA-UHFFFAOYSA-N;136.17;1.93;;;;;DOPC;MDCG;27;0;"MARTINI bead: C3_Na";;;;;;;2.57;;0.45;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM458978;MM458978;C=CC12C=CC(=NN)C1N2;DLBMCXJZNLPHDX-UHFFFAOYSA-N;135.17;-0.23;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNd_SNd";;;;;;;0.87;;-2.11;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM458979;MM458979;CCC#CC#CCC=CF;IHPDOTGISCYZQZ-UHFFFAOYSA-N;136.17;2.28;;;;;DOPC;MDCG;27;0;"MARTINI bead: C2_C4";;;;;;;4.16;;0.44;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM458980;MM458980;C=CC12C=CC(=NO)C1N2;QESCQOMILDCDIB-UHFFFAOYSA-N;136.15;0.28;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNda_SNd";;;;;;;0.87;;-1.92;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM458981;MM458981;CCC#CC#CCC=NN;QDNVPQBQUDMMCM-UHFFFAOYSA-N;134.18;0.74;;;;;DOPC;MDCG;27;0;"MARTINI bead: C2_Nd";;;;;;;2.83;;0.62;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM458982;MM458982;O=CC12C=CC(=NO)C1N2;BPIXLFHHGIVHRB-UHFFFAOYSA-N;138.13;-0.7;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNda_SP1";;;;;;;0.04;;-2.73;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM458983;MM458983;NN=CCC#CC#CCF;KBFBKVMFUHIASS-UHFFFAOYSA-N;138.15;0.3;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nd_C5";;;;;;;1.64;;0.02;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM458984;MM458984;CC=C1C=CC2(C=O)OC12;YMZMSWKFTOAZSX-UHFFFAOYSA-N;136.15;0.84;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC3_SNa";;;;;;;2.57;;0.45;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM458985;MM458985;CCC#CC#CCC=NO;BSVTUBSYOIDARL-UHFFFAOYSA-N;135.17;1.25;;;;;DOPC;MDCG;27;0;"MARTINI bead: C2_P1";;;;;;;2;;0.32;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM458986;MM458986;C=CC12C=CC(=NO)C1O2;YPGPMWPNVZCSDP-UHFFFAOYSA-N;137.14;0.71;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNda_SNa";;;;;;;0.87;;-1.99;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM458987;MM458987;C=CC#CC#CCC=CC;DMGHUSTVODPOLS-UHFFFAOYSA-N;130.19;2.15;;;;;DOPC;MDCG;27;0;"MARTINI bead: C2_C4";;;;;;;4.16;;0.44;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM458988;MM458988;C=CC12C=CC(=NC)N1C2;MLDIZTYXPQEREB-UHFFFAOYSA-N;134.18;0.82;;;;;DOPC;MDCG;27;1;"MARTINI bead: SNd_SN0";;;;;;;1.17;;-2.08;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM458989;MM458989;CC=CCC#CC#CC=O;NULJLMOUEOPAOU-UHFFFAOYSA-N;132.16;1.16;;;;;DOPC;MDCG;27;0;"MARTINI bead: C3_P1";;;;;;;1.74;;0.29;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM458990;MM458990;C#CC=NNC(C)C#CC;OZYDDZGOPKEKSC-UHFFFAOYSA-N;134.18;0.61;;;;;DOPC;MDCG;27;0;"MARTINI bead: C3_P1";;;;;;;1.74;;0.29;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM458991;MM458991;CC=CCC#CC#CC#N;JPPFHPXFYKACGQ-UHFFFAOYSA-N;129.16;1.48;;;;;DOPC;MDCG;27;0;"MARTINI bead: C2_N0";;;;;;;3.13;;0.3;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM458992;MM458992;C=CC12C=CC(=NO)N1C2;CIIPBEPGGAQNKV-UHFFFAOYSA-N;136.15;0.58;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP1_SN0";;;;;;;0.34;;-1.53;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM458993;MM458993;C=CC#CC#CCC=CF;BBZGUTUWKMDKFT-UHFFFAOYSA-N;134.15;2.05;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_C2";;;;;;;3.6;;0.34;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM458994;MM458994;O=CC12C=CC(=NO)N1C2;GWVVJQTZAKFZKI-UHFFFAOYSA-N;138.13;-0.4;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP1_SP1";;;;;;;-0.79;;-3.13;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM458995;MM458995;C#CC12C=CC(=CC)C1C2;PGNFOIPNPLBIAS-UHFFFAOYSA-N;130.19;2.14;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC3_SC5";;;;;;;3.34;;0.48;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM458996;MM458996;C=CC#CC#CCC=NN;ZKDDKUUKDJSMJT-UHFFFAOYSA-N;132.17;0.51;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nd_C4";;;;;;;2.2;;0.32;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM458997;MM458997;C#CC12C=CC(=CF)C1C2;GVFNPERNSDSQAJ-UHFFFAOYSA-N;134.15;2.05;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC4_SC5";;;;;;;2.97;;0.45;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM458998;MM458998;C=CC#CC#CCC=NO;NFQDYCNIGRUJGH-UHFFFAOYSA-N;133.15;1.03;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_C4";;;;;;;1.37;;-0.05;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM458999;MM458999;C#CC12C=CC(=NN)C1C2;PQHKPUSLOQOJEE-UHFFFAOYSA-N;132.17;0.51;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNd_SC5";;;;;;;1.64;;0.02;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM459000;MM459000;C#CC#CC#CCC=CC;DEXJXEXWKGXZCM-UHFFFAOYSA-N;128.17;1.59;;;;;DOPC;MDCG;27;0;"MARTINI bead: C2_C4";;;;;;;4.16;;0.44;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM459001;MM459001;C#CC12C=CC(=NO)C1C2;VWWPAHZKBKDOON-UHFFFAOYSA-N;133.15;1.03;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNda_SC5";;;;;;;1.64;;0.05;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM459002;MM459002;C#CC#CC#CCC=CF;FAXHTTJRHBGACX-UHFFFAOYSA-N;132.14;1.5;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_C1";;;;;;;3.68;;0.46;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM459003;MM459003;CCC1(CC)CC1C1CC1;SAQDRHWRQVBKAH-UHFFFAOYSA-N;138.25;3.22;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC1_SC5";;;;;;;3.68;;0.46;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM459004;MM459004;C#CC#CC#CCC=NN;LWXNAOXTAUTFCZ-UHFFFAOYSA-N;130.15;-0.04;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nd_C4";;;;;;;2.2;;0.32;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM459005;MM459005;CCC1(CN)CC1C1CC1;NDUQOHWVCUJMSP-UHFFFAOYSA-N;139.24;1.77;;;;;DOPC;MDCG;27;1;"MARTINI bead: SNd_SC5";;;;;;;1.64;;-2.39;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM459006;MM459006;CC#CCC#CC#CCC;KBGPBWFBDDWCKP-UHFFFAOYSA-N;130.19;1.82;;;;;DOPC;MDCG;27;0;"MARTINI bead: C3_C3";;;;;;;4.27;;0.2;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM459007;MM459007;CON=C(C)C(=N)NOC;VWDUQDPYULXICR-UHFFFAOYSA-N;145.16;0.14;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda_P2";;;;;;;-0.24;;-3.31;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM459008;MM459008;CC#CCC#CC#CCN;LUWSBQRGWZNSGP-UHFFFAOYSA-N;131.18;0.37;;;;;DOPC;MDCG;27;1;"MARTINI bead: C3_Nd";;;;;;;2.57;;-0.01;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM459009;MM459009;CCC1(CF)CC1C1CC1;QUXNNYFJVXSZOW-UHFFFAOYSA-N;142.22;2.78;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC4_SC5";;;;;;;2.97;;0.45;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM459010;MM459010;CC#CCC#CC#CCO;AJACNRGYUKEHLS-UHFFFAOYSA-N;132.16;0.4;;;;;DOPC;MDCG;27;0;"MARTINI bead: C3_P2";;;;;;;1.46;;-0.15;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM459011;MM459011;NCC1(CN)CC1C1CC1;LKDSYAYDUJAUCK-UHFFFAOYSA-N;140.23;0.32;;;;;DOPC;MDCG;27;1;"MARTINI bead: SP2_SC5";;;;;;;0.54;;-3.53;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM459012;MM459012;CC#CCC#CC#CCF;FDTSADRFCQQPMU-UHFFFAOYSA-N;134.15;1.38;;;;;DOPC;MDCG;27;0;"MARTINI bead: C3_Na";;;;;;;2.57;;0.45;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM459013;MM459013;NCC1(CO)CC1C1CC1;VOUHMRJVFBPGNX-UHFFFAOYSA-N;141.21;0.35;;;;;DOPC;MDCG;27;1;"MARTINI bead: SP2_SC5";;;;;;;0.54;;-3.2;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM459014;MM459014;C=CC#CC#CCC#CC;AXCJZZSGKYZOEO-UHFFFAOYSA-N;128.17;1.59;;;;;DOPC;MDCG;27;0;"MARTINI bead: C3_C4";;;;;;;3.9;;0.47;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM459015;MM459015;OCC1(CO)CC1C1CC1;VGVXTYSFQFGLGT-UHFFFAOYSA-N;142.2;0.39;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP2_SC5";;;;;;;0.54;;-1.09;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM459016;MM459016;CC#CCC#CC#CC=O;CYNGKDVCHBXRAU-UHFFFAOYSA-N;130.15;0.61;;;;;DOPC;MDCG;27;0;"MARTINI bead: C3_P1";;;;;;;1.74;;0.29;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM459017;MM459017;CCC1(NC)CC1C1CC1;ZPZZUGKKUXSTJM-UHFFFAOYSA-N;139.24;1.78;;;;;DOPC;MDCG;27;1;"MARTINI bead: SNd_SC5";;;;;;;1.64;;-2.91;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM459018;MM459018;CC#CCC#CC#CC#N;GDLWZFHICCQUPD-UHFFFAOYSA-N;127.15;0.93;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4_N0";;;;;;;2.5;;0.44;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM459019;MM459019;CNC1(CN)CC1C1CC1;XWHGRNVTBLSJKD-UHFFFAOYSA-N;140.23;0.33;;;;;DOPC;MDCG;27;1;"MARTINI bead: SP2_SC5";;;;;;;0.54;;-3.64;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM459020;MM459020;C#CC#CC#CCC#CC;ABHYHHAJGNVLSL-UHFFFAOYSA-N;126.16;1.04;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4_C4";;;;;;;3.53;;0.53;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM459021;MM459021;CNC1(CO)CC1C1CC1;XTZKPLPKKRIXCZ-UHFFFAOYSA-N;141.21;0.37;;;;;DOPC;MDCG;27;1;"MARTINI bead: SP1_SC5";;;;;;;0.81;;-2.78;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM459022;MM459022;CCC=CC#CC=CCC;IWIBXWBFCHJXGF-UHFFFAOYSA-N;134.22;2.92;;;;;DOPC;MDCG;27;0;"MARTINI bead: C3_C2";;;;;;;4.53;;0.32;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM459023;MM459023;CCC1(OC)CC1C1CC1;WZTDFFATOITMDL-UHFFFAOYSA-N;140.23;2.21;;;;;DOPC;MDCG;27;0;"MARTINI bead: SN0_SC5";;;;;;;1.94;;0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM459024;MM459024;COC=CC#CC=CCN;WJYWJHJIXFKCCY-UHFFFAOYSA-N;137.18;0.66;;;;;DOPC;MDCG;27;1;"MARTINI bead: Na_Nd";;;;;;;0.87;;-4.11;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM459025;MM459025;COC1(CN)CC1C1CC1;QCEOVKVVFWPKKS-UHFFFAOYSA-N;141.21;0.76;;;;;DOPC;MDCG;27;1;"MARTINI bead: SP1_SC5";;;;;;;0.81;;-2.6;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM459026;MM459026;COC=CC#CC=COC;KLZZZUMPRSUBDF-UHFFFAOYSA-N;138.17;1.31;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_N0";;;;;;;1.17;;-1.18;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM459027;MM459027;COC1(CO)CC1C1CC1;DZRAYPIRPKIVPQ-UHFFFAOYSA-N;142.2;0.79;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP1_SC5";;;;;;;0.81;;-0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM459028;MM459028;CNN=CC#CC=CCN;KPFGZJFHAFAPEN-UHFFFAOYSA-N;137.19;-0.29;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_Nd";;;;;;;0.87;;-4.34;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM459029;MM459029;CCC1(CN)CC1C1CN1;LHFAJZLARONTKV-UHFFFAOYSA-N;140.23;0.33;;;;;DOPC;MDCG;27;1;"MARTINI bead: SNd_SP1";;;;;;;0.04;;-5.12;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM459030;MM459030;CON=CC#CC=CCN;LNIJMCMNSRHXGP-UHFFFAOYSA-N;138.17;0.14;;;;;DOPC;MDCG;27;1;"MARTINI bead: Na_Nd";;;;;;;0.87;;-4.11;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM459031;MM459031;NCC1(CN)CC1C1CN1;OIGZWHHTEOKUJV-UHFFFAOYSA-N;141.22;-1.12;;;;;DOPC;MDCG;27;1;"MARTINI bead: SP2_SP1";;;;;;;-1.06;;-6.26;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM459032;MM459032;CN1C(=O)C=C(N)C1(C)C;UZLBRIQTFZQBMQ-UHFFFAOYSA-N;140.19;0.08;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP1_SNd";;;;;;;0.04;;-2.63;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM459033;MM459033;NCC1(CO)CC1C1CN1;BHLSQJSYTQENQO-UHFFFAOYSA-N;142.2;-1.08;;;;;DOPC;MDCG;27;1;"MARTINI bead: SP2_SP2";;;;;;;-1.34;;-6.43;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM459034;MM459034;CNN=CC#CC=COC;MKMAEDFVMRHEKI-UHFFFAOYSA-N;138.17;0.36;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nd_C5";;;;;;;1.64;;0.02;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM459035;MM459035;CCC1(NC)CC1C1CN1;SLZRDVNBTGJEGK-UHFFFAOYSA-N;140.23;0.35;;;;;DOPC;MDCG;27;1;"MARTINI bead: SNd_SP1";;;;;;;0.04;;-5.28;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM459036;MM459036;COC=CC#CC=NOC;ZUUSBAPDJQVFLY-UHFFFAOYSA-N;139.15;0.78;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_Na";;;;;;;1.64;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM459037;MM459037;CNC1(CN)CC1C1CN1;AKPVPDYRKHJMDU-UHFFFAOYSA-N;141.22;-1.11;;;;;DOPC;MDCG;27;1;"MARTINI bead: SP2_SP2";;;;;;;-1.34;;-6.49;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM459038;MM459038;CNN=CC#CC=NOC;VVRJWBMTKKGCGQ-UHFFFAOYSA-N;139.16;-0.17;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nd_Na";;;;;;;0.87;;-1.88;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM459039;MM459039;CNC1(CO)CC1C1CN1;IAGGZKMTEGRYMK-UHFFFAOYSA-N;142.2;-1.07;;;;;DOPC;MDCG;27;1;"MARTINI bead: SP1_SP2";;;;;;;-1.06;;-5.74;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM459040;MM459040;CON=CC#CC=NOC;LANKQKZTSZGEQS-UHFFFAOYSA-N;140.14;0.25;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_Na";;;;;;;0.87;;-2.22;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM459041;MM459041;CCC1(CC)CC1C1CO1;MSOZXJMPAKUTKO-UHFFFAOYSA-N;140.23;2.21;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC1_SNa";;;;;;;2.91;;0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM459042;MM459042;C=CC=CC#CC=CCC;FNUZNJBYJRKVDO-UHFFFAOYSA-N;132.21;2.7;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1_C1";;;;;;;4.95;;0.69;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM459043;MM459043;CCC1(CN)CC1C1CO1;KNKBVPIRXDZKEY-UHFFFAOYSA-N;141.21;0.76;;;;;DOPC;MDCG;27;1;"MARTINI bead: SNd_SNa";;;;;;;0.87;;-4.37;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM459044;MM459044;CCC=CC#CC=CC#N;IWIPGNQLCDKMCM-UHFFFAOYSA-N;131.18;2.04;;;;;DOPC;MDCG;27;0;"MARTINI bead: C3_N0";;;;;;;2.87;;0.37;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM459045;MM459045;CCC1(CO)CC1C1CO1;AYSWLEFXJHDQFK-UHFFFAOYSA-N;142.2;0.79;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNda_SNa";;;;;;;0.87;;-1.99;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM459046;MM459046;C=CC=CC#CC=CCO;FANUSFUBILWEIA-UHFFFAOYSA-N;134.18;1.28;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda_C4";;;;;;;2.2;;0.49;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM459047;MM459047;CCC1(CF)CC1C1CO1;QYUIRIQIRUCOPH-UHFFFAOYSA-N;144.19;1.77;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC4_SNa";;;;;;;2.2;;0.34;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM459048;MM459048;C=NN=CC#CC=CCF;IDXLWBZSJOZBBF-UHFFFAOYSA-N;138.15;1.2;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_C5";;;;;;;1.64;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM459049;MM459049;C=NN=CC#CC=COC;QXYYGCXKEXXKNN-UHFFFAOYSA-N;136.15;0.84;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_C5";;;;;;;2.41;;0.64;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM459050;MM459050;NCC1(CO)CC1C1CO1;ZGTAJWALZMNBPY-UHFFFAOYSA-N;143.19;-0.66;;;;;DOPC;MDCG;27;1;"MARTINI bead: SP2_SNa";;;;;;;-0.24;;-5.36;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM459051;MM459051;CCC1(NC)CC1C1CO1;PMGZNWWCELPVIX-UHFFFAOYSA-N;141.21;0.77;;;;;DOPC;MDCG;27;1;"MARTINI bead: SNd_SNa";;;;;;;0.87;;-4.68;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM459052;MM459052;C=CC=CC#CC=NNC;FNFQVFTZLDLKJF-UHFFFAOYSA-N;134.18;0.94;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_C4";;;;;;;1.09;;-0.38;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM459053;MM459053;CNC1(CN)CC1C1CO1;PILOBRDKWSLCLG-UHFFFAOYSA-N;142.2;-0.68;;;;;DOPC;MDCG;27;1;"MARTINI bead: SP2_SP1";;;;;;;-1.06;;-6.23;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM459054;MM459054;CNN=CC#CC=CC=O;KXVTUYHIGDCJMG-UHFFFAOYSA-N;136.15;-0.05;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nd_Na";;;;;;;0.87;;-1.88;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM459055;MM459055;CNC1(CO)CC1C1CO1;HURWIKSRDDEEMT-UHFFFAOYSA-N;143.19;-0.64;;;;;DOPC;MDCG;27;1;"MARTINI bead: SP1_SP1";;;;;;;-0.79;;-5.21;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM459056;MM459056;CNN=CC#CC=CC#N;JHTDZDKSJGXUAC-UHFFFAOYSA-N;133.15;0.27;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nd_N0";;;;;;;1.17;;-1.04;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM459057;MM459057;CCC1(OC)CC1C1CO1;UVTZNRFGUWGZSF-UHFFFAOYSA-N;142.2;1.2;;;;;DOPC;MDCG;27;0;"MARTINI bead: SN0_SNa";;;;;;;1.17;;-1.18;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM459058;MM459058;C=CC=CC#CC=NOC;SSGDZJKMNPKAQO-UHFFFAOYSA-N;135.17;1.36;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_C4";;;;;;;1.37;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM459059;MM459059;COC1(CO)CC1C1CO1;PKWURDLVQYBVQW-UHFFFAOYSA-N;144.17;-0.22;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP1_SNa";;;;;;;0.04;;-2.54;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM459060;MM459060;C=NN=CC#CC=NNC;MZRVOSNXHFDEKX-UHFFFAOYSA-N;136.16;-0.12;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_C5";;;;;;;0.54;;-1.09;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM459061;MM459061;COC1(OC)CC1C1CO1;MFDKEAIIFBETED-UHFFFAOYSA-N;144.17;0.39;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNa_SP1";;;;;;;0.04;;-2.54;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM459062;MM459062;C=NN=CC#CC=NOC;NEUFWFRAEOGBMA-UHFFFAOYSA-N;137.14;0.31;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_C5";;;;;;;1.64;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM459063;MM459063;CCC1(CN)NC1C1CC1;LVKVURYOCYDWJK-UHFFFAOYSA-N;140.23;0.48;;;;;DOPC;MDCG;27;1;"MARTINI bead: SP1_SC5";;;;;;;0.81;;-2.47;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM459064;MM459064;C#CC=CC#CC=CCC;KPMUVGUSQRTXQM-UHFFFAOYSA-N;130.19;2.15;;;;;DOPC;MDCG;27;0;"MARTINI bead: C3_C4";;;;;;;3.9;;0.47;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM459065;MM459065;NCC1(CN)NC1C1CC1;KNVCRLCRXGMHKU-UHFFFAOYSA-N;141.22;-0.98;;;;;DOPC;MDCG;27;1;"MARTINI bead: SP3_SC5";;;;;;;-0.33;;-3.93;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM459066;MM459066;C#CC=CC#CC=CCF;NLBAOFZWMSUVOX-UHFFFAOYSA-N;134.15;1.7;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_C4";;;;;;;2.2;;0.34;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM459067;MM459067;CCC1(CN)NC1C1CN1;ASEBMGBVYWHPEF-UHFFFAOYSA-N;141.22;-0.96;;;;;DOPC;MDCG;27;1;"MARTINI bead: SP1_SP2";;;;;;;-1.06;;-5.8;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM459068;MM459068;C#CC=CC#CC=NNC;YMWSOGZZTHDORI-UHFFFAOYSA-N;132.17;0.38;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_C4";;;;;;;1.09;;-0.38;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM459069;MM459069;NCC1(CO)NC1C1CN1;TUMWZBBJLSZRLJ-UHFFFAOYSA-N;143.19;-2.38;;;;;DOPC;MDCG;27;1;"MARTINI bead: SP3_SP2";;;;;;;-2.2;;-6.8;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM459070;MM459070;CCC1(CN)NC1C1CO1;SZIYBGRUSDMKJZ-UHFFFAOYSA-N;142.2;-0.54;;;;;DOPC;MDCG;27;1;"MARTINI bead: SP1_SP1";;;;;;;-0.79;;-5.12;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM459071;MM459071;C#CC=CC#CC=NOC;WXRGIALUJZEXBW-UHFFFAOYSA-N;133.15;0.81;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_C4";;;;;;;1.37;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM459072;MM459072;C=NNC(C)C(F)=C(C)F;RJMOLCSCDAKVDM-UHFFFAOYSA-N;148.16;1.75;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nd_C5";;;;;;;1.64;;0.02;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM459073;MM459073;C=CC=CC#CC=CC=C;PUZROHHUZOBMBX-UHFFFAOYSA-N;130.19;2.47;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4_C4";;;;;;;3.53;;0.53;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM459074;MM459074;NCC1(CN)NC1C1CO1;XOMONZXMRYSDGU-UHFFFAOYSA-N;143.19;-1.99;;;;;DOPC;MDCG;27;1;"MARTINI bead: SP3_SP1";;;;;;;-1.93;;-6.64;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM459075;MM459075;C=CC=CC#CC=CC#N;ZGAYIZKYJAQGJC-UHFFFAOYSA-N;129.16;1.81;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4_N0";;;;;;;2.5;;0.44;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM459076;MM459076;CCC1(CC)OC1C1CC1;FTCMTLZIUVNNCN-UHFFFAOYSA-N;140.23;2.35;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC5_SC5";;;;;;;2.41;;0.64;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM459077;MM459077;N#CC=CC#CC=CC#N;MRZSSDBVJKZYEP-UHFFFAOYSA-N;128.13;1.15;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_P1";;;;;;;0.81;;-0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM459078;MM459078;CCC1(CN)OC1C1CC1;MZVJTACECBTZRN-UHFFFAOYSA-N;141.21;0.9;;;;;DOPC;MDCG;27;1;"MARTINI bead: SP1_SC5";;;;;;;0.81;;-2.53;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM459079;MM459079;C=CC=CC#CC=NN=C;FHIADNKZBWCLGX-UHFFFAOYSA-N;132.17;1.42;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4_N0";;;;;;;2.5;;0.44;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM459080;MM459080;NCC1(CN)OC1C1CC1;VIGLHDUKMSTAHB-UHFFFAOYSA-N;142.2;-0.55;;;;;DOPC;MDCG;27;1;"MARTINI bead: SP3_SC5";;;;;;;-0.33;;-3.99;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM459081;MM459081;C=NN=CC#CC=CC#N;WTDUYDKTMUPVKT-UHFFFAOYSA-N;131.14;0.76;;;;;DOPC;MDCG;27;0;"MARTINI bead: N0_N0";;;;;;;1.47;;-0.05;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM459082;MM459082;CCC1(CN)OC1C1CN1;ZIWSJRJJAWQSCV-UHFFFAOYSA-N;142.2;-0.54;;;;;DOPC;MDCG;27;1;"MARTINI bead: SP1_SP2";;;;;;;-1.06;;-5.86;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM459083;MM459083;C#CC=CC#CC=CC=C;PKJZHOSHAXXCQL-UHFFFAOYSA-N;128.17;1.92;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4_N0";;;;;;;2.5;;0.44;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM459084;MM459084;NCC1(CN)OC1C1CN1;FWIAGVKWNSBYLT-UHFFFAOYSA-N;143.19;-1.99;;;;;DOPC;MDCG;27;1;"MARTINI bead: SP3_SP2";;;;;;;-2.2;;-7.17;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM459085;MM459085;C#CC=CC#CC=CC#C;OMUOKNFTKFFOMI-UHFFFAOYSA-N;126.16;1.37;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4_N0";;;;;;;2.5;;0.44;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM459086;MM459086;CCC1(CC)OC1C1CO1;PNVGRIRCHNOGMI-UHFFFAOYSA-N;142.2;1.34;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC5_SP1";;;;;;;0.81;;-0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM459087;MM459087;CCC#CC#CC=CCC;UAECNLNZUCAYLM-UHFFFAOYSA-N;132.21;2.37;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1_C3";;;;;;;4.61;;0.31;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM459088;MM459088;CCC1(CN)OC1C1CO1;HNIHFVFIGQVXHF-UHFFFAOYSA-N;143.19;-0.11;;;;;DOPC;MDCG;27;1;"MARTINI bead: SP1_SP1";;;;;;;-0.79;;-5.18;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM459089;MM459089;CCC=CC#CC#CCN;NOMQPPGSBGEZGQ-UHFFFAOYSA-N;133.19;0.92;;;;;DOPC;MDCG;27;1;"MARTINI bead: C1_Nd";;;;;;;2.91;;0.5;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM459090;MM459090;CCC1(CO)OC1C1CO1;ZRINAUFQZJCXPG-UHFFFAOYSA-N;144.17;-0.07;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP1_SP1";;;;;;;-0.79;;-3.13;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM459091;MM459091;CCC=CC#CC#CCO;ONYVUHBLPVKFFL-UHFFFAOYSA-N;134.18;0.95;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1_Nda";;;;;;;2.91;;0.57;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM459092;MM459092;NCC1(CN)OC1C1CO1;XEDJCQZGBKPDHW-UHFFFAOYSA-N;144.17;-1.56;;;;;DOPC;MDCG;27;1;"MARTINI bead: SP3_SP1";;;;;;;-1.93;;-6.7;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM459093;MM459093;CCC=CC#CC#CCF;HBSWSPCKBWCEPN-UHFFFAOYSA-N;136.17;1.93;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1_C5";;;;;;;3.68;;0.46;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM459094;MM459094;CCC1(CN)CC1N1CC1;AZRIZWOCOAMTHQ-UHFFFAOYSA-N;140.23;0.43;;;;;DOPC;MDCG;27;1;"MARTINI bead: SNd_SP1";;;;;;;0.04;;-4.79;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM459095;MM459095;CCC#CC#CC=CCN;PPCJRXFFFDUKIB-UHFFFAOYSA-N;133.19;0.92;;;;;DOPC;MDCG;27;1;"MARTINI bead: C2_P1";;;;;;;2;;-0.86;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM459096;MM459096;N=c1c(N)cc(=O)on1N;DUSHRQVRHWNHBY-UHFFFAOYSA-N;142.12;-1.78;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP2_SP2";;;;;;;-1.34;;-4.31;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM459097;MM459097;NCC#CC#CC=CCN;UVBUVMGGGGSZRR-UHFFFAOYSA-N;134.18;-0.53;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1_C5";;;;;;;0.81;;-2.74;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM459098;MM459098;CCC1(CF)CC1N1CC1;XCRWPTYKFVXASL-UHFFFAOYSA-N;143.21;1.44;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC4_SP1";;;;;;;1.37;;-0.05;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM459099;MM459099;NCC=CC#CC#CCO;CMQJKABGXAZHJR-UHFFFAOYSA-N;135.17;-0.5;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_Nda";;;;;;;0.87;;-4.14;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM459100;MM459100;NCC1(CN)CC1N1CC1;BTMZICZTFOVEEU-UHFFFAOYSA-N;141.22;-1.02;;;;;DOPC;MDCG;27;1;"MARTINI bead: SP2_SP1";;;;;;;-1.06;;-5.93;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM459101;MM459101;NCC=CC#CC#CCF;ZDFXEBZWJIYHJQ-UHFFFAOYSA-N;137.16;0.48;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_Na";;;;;;;0.87;;-4.11;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM459102;MM459102;CCC1(C)CC(NN)=NO1;MJZJPACLVMHRKJ-UHFFFAOYSA-N;143.19;0.35;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC5_SP2";;;;;;;0.54;;-1.09;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM459103;MM459103;CCC#CC#CC=CCO;UFDCJNXESAYXNL-UHFFFAOYSA-N;134.18;0.95;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1_P1";;;;;;;2.08;;0.48;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM459104;MM459104;CCC1(NC)CC1N1CC1;ZZNGZNYZZDUCOZ-UHFFFAOYSA-N;140.23;0.44;;;;;DOPC;MDCG;27;1;"MARTINI bead: SNd_SP1";;;;;;;0.04;;-5.01;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM459105;MM459105;NCC#CC#CC=CCO;NSJBPWOIYXUGQH-UHFFFAOYSA-N;135.17;-0.5;;;;;DOPC;MDCG;27;1;"MARTINI bead: C5_P1";;;;;;;0.81;;-1.68;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM459106;MM459106;CNC1(CN)CC1N1CC1;NMNLMEMIZNHZPW-UHFFFAOYSA-N;141.22;-1.01;;;;;DOPC;MDCG;27;1;"MARTINI bead: SP2_SP1";;;;;;;-1.06;;-5.86;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM459107;MM459107;OCC#CC#CC=CCO;XCYUEGQWLXJIEL-UHFFFAOYSA-N;136.15;-0.47;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_C5";;;;;;;0.81;;-0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM459108;MM459108;CNC1(CO)CC1N1CC1;HJUYXJKJYHILAS-UHFFFAOYSA-N;142.2;-0.98;;;;;DOPC;MDCG;27;1;"MARTINI bead: SP1_SP1";;;;;;;-0.79;;-4.79;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM459109;MM459109;OCC=CC#CC#CCF;KZJQRDGFRILWLT-UHFFFAOYSA-N;138.14;0.51;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda_Na";;;;;;;0.87;;-1.99;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM459110;MM459110;CCC1(OC)CC1N1CC1;UVQRVJDJXGLXEJ-UHFFFAOYSA-N;141.21;0.87;;;;;DOPC;MDCG;27;0;"MARTINI bead: SN0_SP1";;;;;;;0.34;;-1.53;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM459111;MM459111;CCC#CC#CC=COC;GVERUHDGCKRIPU-UHFFFAOYSA-N;134.18;1.56;;;;;DOPC;MDCG;27;0;"MARTINI bead: C2_Na";;;;;;;2.83;;0.35;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM459112;MM459112;COC1(CN)CC1N1CC1;HXHNQTADRXRLSD-UHFFFAOYSA-N;142.2;-0.58;;;;;DOPC;MDCG;27;1;"MARTINI bead: SP1_SP1";;;;;;;-0.79;;-4.91;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM459113;MM459113;COC=CC#CC#CCN;QZTGJRMFKKYERV-UHFFFAOYSA-N;135.17;0.11;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1_C5";;;;;;;0.81;;-1.68;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM459114;MM459114;CCC1(CN)CN1C1CC1;JIPDZPDPLJJJSJ-UHFFFAOYSA-N;140.23;0.57;;;;;DOPC;MDCG;27;1;"MARTINI bead: SP1_SP1";;;;;;;-0.79;;-5.12;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM459115;MM459115;COC=CC#CC#CCO;CVUGKBFKEPTYSB-UHFFFAOYSA-N;136.15;0.15;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_Nda";;;;;;;0.87;;-1.99;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM459116;MM459116;CCC1(CF)CN1C1CC1;SFBZRUMUJAVRDH-UHFFFAOYSA-N;143.21;1.58;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNa_SP1";;;;;;;0.04;;-2.54;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM459117;MM459117;COC=CC#CC#CCF;SAUPISWIRRLASA-UHFFFAOYSA-N;138.14;1.12;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_C5";;;;;;;2.41;;0.64;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM459118;MM459118;NCC1(CN)CN1C1CC1;DEHPSIVALCJCDT-UHFFFAOYSA-N;141.22;-0.88;;;;;DOPC;MDCG;27;1;"MARTINI bead: SP3_SP1";;;;;;;-1.93;;-6.64;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM459119;MM459119;CCC#CC#CC=NNC;NLHURXRRRBHMTJ-UHFFFAOYSA-N;134.18;0.61;;;;;DOPC;MDCG;27;0;"MARTINI bead: C2_P2";;;;;;;1.72;;0.27;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM459120;MM459120;NCC1(CO)CN1C1CC1;JVTHAKODFJNYCK-UHFFFAOYSA-N;142.2;-0.85;;;;;DOPC;MDCG;27;1;"MARTINI bead: SP3_SP1";;;;;;;-1.93;;-6.33;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM459121;MM459121;CNN=CC#CC#CCN;PBWFLISDEJTZCX-UHFFFAOYSA-N;135.17;-0.84;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_Nd";;;;;;;0.87;;-3.3;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM459122;MM459122;NCC1(CF)CN1C1CC1;FMSJTUYGOSDPAB-UHFFFAOYSA-N;144.19;0.13;;;;;DOPC;MDCG;27;1;"MARTINI bead: SP2_SP1";;;;;;;-1.06;;-5.72;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM459123;MM459123;C=CCONC(=N)ON=C;JBDYCBSMISIDEI-UHFFFAOYSA-N;143.15;0.26;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda_P1";;;;;;;0.04;;-2.73;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM459124;MM459124;CN=C(N)C(=O)C(F)=CN;CXSQNYGUZVVDLH-UHFFFAOYSA-N;145.14;-0.69;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_Nda";;;;;;;-0.24;;-3.31;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM459125;MM459125;CNN=CC#CC#CCF;ABFNZMWIHRCDHS-UHFFFAOYSA-N;138.15;0.17;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nd_C5";;;;;;;1.64;;0.02;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM459126;MM459126;C=CC1(CC)CC1C1CC1;CTNBUPHUHHEAMS-UHFFFAOYSA-N;136.24;3;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC3_SC5";;;;;;;3.34;;0.48;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM459127;MM459127;CCC#CC#CC=NOC;DQETYKBOHHXRSY-UHFFFAOYSA-N;135.17;1.04;;;;;DOPC;MDCG;27;0;"MARTINI bead: C3_Na";;;;;;;2.57;;0.45;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM459128;MM459128;CCC1(C=O)CC1C1CC1;XQSXNVQIIZAKLC-UHFFFAOYSA-N;138.21;2.01;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNa_SC5";;;;;;;1.64;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM459129;MM459129;CON=CC#CC#CCN;BIGMWLZRIVNUTR-UHFFFAOYSA-N;136.15;-0.42;;;;;DOPC;MDCG;27;1;"MARTINI bead: Na_Nd";;;;;;;0.87;;-3.07;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM459130;MM459130;CCC1(C#N)CC1C1CC1;IZHAXALXPRXERK-UHFFFAOYSA-N;135.21;2.34;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC5_SC5";;;;;;;2.41;;0.64;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM459131;MM459131;CON=CC#CC#CCO;IKGHNXOLTAPNPK-UHFFFAOYSA-N;137.14;-0.38;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_Nda";;;;;;;0.87;;-1.99;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM459132;MM459132;C=CC1(CN)CC1C1CC1;FOBXTHWMDCMUCG-UHFFFAOYSA-N;137.23;1.55;;;;;DOPC;MDCG;27;1;"MARTINI bead: SNd_SC5";;;;;;;1.64;;-2.34;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM459133;MM459133;CON=CC#CC#CCF;RWZJALDUAHLZLT-UHFFFAOYSA-N;139.13;0.59;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_C5";;;;;;;1.64;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM459134;MM459134;C=NN=C(OC)C(C)=CN;FETPUTIHXXCTHS-UHFFFAOYSA-N;141.17;0.51;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_P2";;;;;;;0.54;;-1.09;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM459135;MM459135;C=CC#CC#CC=CCC;JNDMIDGJMMUSHG-UHFFFAOYSA-N;130.19;2.15;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1_C4";;;;;;;4.24;;0.42;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM459136;MM459136;O=CC1(CO)CC1C1CC1;JHTMTAAZFGBXJL-UHFFFAOYSA-N;140.18;0.59;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP1_SC5";;;;;;;0.81;;-0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM459137;MM459137;CCC=CC#CC#CC=O;SGZKWRWQPRQUIV-UHFFFAOYSA-N;132.16;1.16;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1_C5";;;;;;;3.68;;0.46;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM459138;MM459138;N#CC1(CO)CC1C1CC1;XZVKAPZSOAMASF-UHFFFAOYSA-N;137.18;0.92;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP1_SC5";;;;;;;0.81;;-0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM459139;MM459139;CCC=CC#CC#CC#N;OQVVLYCFYZWWPZ-UHFFFAOYSA-N;129.16;1.48;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1_N0";;;;;;;3.21;;0.46;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM459140;MM459140;C=CC1(CF)CC1C1CC1;PPJWJYOLEYRRSS-UHFFFAOYSA-N;140.2;2.56;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC5_SC5";;;;;;;2.41;;0.64;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM459141;MM459141;C=CC#CC#CC=CCN;FKBUIOLWIUURRG-UHFFFAOYSA-N;131.18;0.69;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1_C4";;;;;;;1.37;;-2.16;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM459142;MM459142;N#CC1(CF)CC1C1CC1;UIYHKPBZBKDJSO-UHFFFAOYSA-N;139.17;1.9;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNa_SC5";;;;;;;1.64;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM459143;MM459143;C=CC#CC#CC=CCO;GAGSBKWZQKXGCS-UHFFFAOYSA-N;132.16;0.73;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda_C4";;;;;;;2.2;;0.49;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM459144;MM459144;C=CC1(NC)CC1C1CC1;NZWAQTAHUXBPSL-UHFFFAOYSA-N;137.23;1.56;;;;;DOPC;MDCG;27;1;"MARTINI bead: SNd_SC5";;;;;;;1.64;;-2.1;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM459145;MM459145;O=CC#CC#CC=CCO;SBIRUTOVENXNOH-UHFFFAOYSA-N;134.13;-0.26;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_C4";;;;;;;1.37;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM459146;MM459146;CNC1(C#N)CC1C1CC1;QWTRPIVYSYYDJG-UHFFFAOYSA-N;136.2;0.9;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP1_SC5";;;;;;;0.81;;-0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM459147;MM459147;N#CC#CC#CC=CCO;FYOYFWYFVMTRDN-UHFFFAOYSA-N;131.13;0.07;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_C5";;;;;;;0.81;;-0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM459148;MM459148;C=CC1(OC)CC1C1CC1;MJCOWWQPIBLNBL-UHFFFAOYSA-N;138.21;1.99;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNa_SC5";;;;;;;1.64;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM459149;MM459149;C=CC#CC#CC=CCF;VWFFHDNLUAYPAV-UHFFFAOYSA-N;134.15;1.7;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_C2";;;;;;;3.6;;0.34;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM459150;MM459150;COC1(C=O)CC1C1CC1;QDJIGJWUUHBFBD-UHFFFAOYSA-N;140.18;1;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNa_SC5";;;;;;;1.64;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM459151;MM459151;N#CC#CC#CC=CCF;IVGCEVGWJIKUHE-UHFFFAOYSA-N;133.13;1.04;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_N0";;;;;;;1.17;;-1.18;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM459152;MM459152;COC1(C#N)CC1C1CC1;UHFJZRZLXLVSHL-UHFFFAOYSA-N;137.18;1.33;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNa_SC5";;;;;;;1.64;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM459153;MM459153;C=CC#CC#CC=COC;ZCJAHWCITSKDJB-UHFFFAOYSA-N;132.16;1.34;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_C2";;;;;;;2;;0.29;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM459154;MM459154;C=CC1(CN)CC1C1CN1;ZWMSXGPMFJPUMK-UHFFFAOYSA-N;138.21;0.11;;;;;DOPC;MDCG;27;1;"MARTINI bead: SNd_SP2";;;;;;;-0.24;;-5.6;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM459155;MM459155;COC=CC#CC#CC=O;ICMBPOHKKXKGKM-UHFFFAOYSA-N;134.13;0.35;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_C5";;;;;;;2.41;;0.64;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM459156;MM459156;C=CC1(NC)CC1C1CN1;LJUZMHXVDWHMHX-UHFFFAOYSA-N;138.21;0.12;;;;;DOPC;MDCG;27;1;"MARTINI bead: SNd_SP2";;;;;;;-0.24;;-5;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM459157;MM459157;COC=CC#CC#CC#N;LOSZPVQGSAYRSF-UHFFFAOYSA-N;131.13;0.68;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_C5";;;;;;;0.81;;-0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM459158;MM459158;C=CC1(CC)CC1C1CO1;OFFAIOQTBDTLLB-UHFFFAOYSA-N;138.21;1.99;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC3_SNa";;;;;;;2.57;;0.45;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM459159;MM459159;C=CC#CC#CC=NNC;JRZZZJLGMMPOKX-UHFFFAOYSA-N;132.17;0.38;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_C4";;;;;;;1.09;;-0.38;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM459160;MM459160;CCC1(C=O)CC1C1CO1;SRJLARSOYKTKFL-UHFFFAOYSA-N;140.18;1;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNa_SP1";;;;;;;0.04;;-2.54;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM459161;MM459161;CNN=CC#CC#CC=O;BZXFPCXFDVRTOD-UHFFFAOYSA-N;134.14;-0.6;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nd_C5";;;;;;;1.64;;0.02;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM459162;MM459162;CCC1(C#N)CC1C1CO1;BEKDBUQNADTNCV-UHFFFAOYSA-N;137.18;1.33;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC5_SP1";;;;;;;0.81;;-0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM459163;MM459163;CNN=CC#CC#CC#N;DWYLKVWTYLTUOV-UHFFFAOYSA-N;131.14;-0.28;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nd_N0";;;;;;;1.17;;-1.04;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM459164;MM459164;C=CC1(CN)CC1C1CO1;QWPZTPJAYSRBOY-UHFFFAOYSA-N;139.2;0.54;;;;;DOPC;MDCG;27;1;"MARTINI bead: SNd_SNa";;;;;;;0.87;;-4.33;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM459165;MM459165;C=CC#CC#CC=NOC;UGMNPQOBAFWNSP-UHFFFAOYSA-N;133.15;0.81;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_C4";;;;;;;1.37;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM459166;MM459166;C=CC1(CO)CC1C1CO1;HVENOHDQNCUPRE-UHFFFAOYSA-N;140.18;0.57;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNda_SNa";;;;;;;0.87;;-1.99;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM459167;MM459167;CON=CC#CC#CC=O;PKXGIXQYELKZAU-UHFFFAOYSA-N;135.12;-0.18;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_C5";;;;;;;1.64;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM459168;MM459168;N#CC1(CO)CC1C1CO1;JMGLGACXMUZBEA-UHFFFAOYSA-N;139.15;-0.09;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP1_SP1";;;;;;;-0.79;;-3.13;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM459169;MM459169;C#CC#CC#CC=CCC;DEPOUSPXBGVVCN-UHFFFAOYSA-N;128.17;1.59;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1_C4";;;;;;;4.24;;0.42;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM459170;MM459170;N#CC1(CF)CC1C1CO1;OYNGRPXSRMOKFK-UHFFFAOYSA-N;141.15;0.88;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNa_SP1";;;;;;;0.04;;-2.54;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM459171;MM459171;C#CC#CC#CC=CCN;KOZWIHGHDBRKDD-UHFFFAOYSA-N;129.16;0.14;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1_C1";;;;;;;2.08;;-0.63;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM459172;MM459172;C=CC1(NC)CC1C1CO1;DABPWUNFGQYUSP-UHFFFAOYSA-N;139.2;0.55;;;;;DOPC;MDCG;27;1;"MARTINI bead: SNd_SP1";;;;;;;0.04;;-4.61;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM459173;MM459173;C#CC#CC#CC=CCO;YHYFPSUUJPWSGM-UHFFFAOYSA-N;130.15;0.17;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_C1";;;;;;;2.08;;0.48;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM459174;MM459174;CNC1(C#N)CC1C1CO1;MUYHIHVMKQHDPX-UHFFFAOYSA-N;138.17;-0.11;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP1_SP1";;;;;;;-0.79;;-3.13;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM459175;MM459175;C#CC#CC#CC=CCF;XFKYBHDDIBCUEJ-UHFFFAOYSA-N;132.14;1.15;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_C4";;;;;;;2.2;;0.34;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM459176;MM459176;C=CC1(OC)CC1C1CO1;XQLOGBUXARSEOH-UHFFFAOYSA-N;140.18;0.98;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNa_SP1";;;;;;;0.04;;-2.54;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM459177;MM459177;C#CC#CC#CC=COC;NNBGKNBIIMRBRW-UHFFFAOYSA-N;130.15;0.79;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_C1";;;;;;;2.08;;0.48;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM459178;MM459178;COC1(C=O)CC1C1CO1;WIZGAEKZTXPOPQ-UHFFFAOYSA-N;142.15;-0.01;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNa_SP1";;;;;;;0.04;;-2.54;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM459179;MM459179;C#CC#CC#CC=NNC;DBAXKJWZXDRFHB-UHFFFAOYSA-N;130.15;-0.17;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_C4";;;;;;;1.09;;-0.38;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM459180;MM459180;COC1(C#N)CC1C1CO1;DDEZJNNMUUJEKL-UHFFFAOYSA-N;139.15;0.31;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNa_SP1";;;;;;;0.04;;-2.54;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM459181;MM459181;C#CC#CC#CC=NOC;QKQXOUOPKUOSRE-UHFFFAOYSA-N;131.13;0.26;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_C4";;;;;;;1.37;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM459182;MM459182;CCC1(C=O)NC1C1CC1;IWSCJHOJEIJAJS-UHFFFAOYSA-N;139.2;0.72;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP1_SC5";;;;;;;0.81;;-0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM459183;MM459183;C=CC=CC#CC#CCC;SEYRJHAHPCDNLT-UHFFFAOYSA-N;130.19;2.15;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_C4";;;;;;;2.97;;0.45;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM459184;MM459184;CCC1(C#N)NC1C1CC1;SVDOKFUKKMLISA-UHFFFAOYSA-N;136.2;1.04;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP1_SC5";;;;;;;0.81;;-0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM459185;MM459185;C=CC=CC#CC#CCN;QQPUSJBTBFOADL-UHFFFAOYSA-N;131.18;0.69;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_C1";;;;;;;2.91;;0.5;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM459186;MM459186;C=CC1(CN)NC1C1CC1;MWSXWNYCSIKYLP-UHFFFAOYSA-N;138.21;0.25;;;;;DOPC;MDCG;27;1;"MARTINI bead: SP2_SC5";;;;;;;0.54;;-3.01;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM459187;MM459187;C=CC=CC#CC#CCO;JWACCXINYBUAMP-UHFFFAOYSA-N;132.16;0.73;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_C4";;;;;;;1.09;;-0.38;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM459188;MM459188;Nc1c(F)n(N)c(=O)n1N;JMTIAYJZLZVPDA-UHFFFAOYSA-N;147.11;-2.2;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP1_SP3";;;;;;;-1.93;;-4.72;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM459189;MM459189;C=CC=CC#CC#CCF;QUMINQVVDTWMBA-UHFFFAOYSA-N;134.15;1.7;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_C1";;;;;;;3.68;;0.46;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM459190;MM459190;C#CC(C=C)NN=CC=C;IWGMPBYNABYOPS-UHFFFAOYSA-N;134.18;0.94;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nd_C5";;;;;;;1.64;;0.02;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM459191;MM459191;CCC#CC#CC=CC#N;OGWGJTKMUMDZSF-UHFFFAOYSA-N;129.16;1.48;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_N0";;;;;;;1.94;;0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM459192;MM459192;CCC1NN=C(C#N)C1C;SANJBWIWNICPNE-UHFFFAOYSA-N;137.19;0.88;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNd_SP1";;;;;;;0.04;;-2.63;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM459193;MM459193;O=CC=CC#CC#CCO;VTEUEVOKTZKTGR-UHFFFAOYSA-N;134.13;-0.26;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda_Na";;;;;;;0.87;;-1.99;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM459194;MM459194;O=CC1(CF)NC1C1CC1;SOCLDZKYFOMMAW-UHFFFAOYSA-N;143.16;0.28;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP2_SC5";;;;;;;0.54;;-1.09;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM459195;MM459195;N#CC=CC#CC#CCO;GOSVKIIYIMGBHE-UHFFFAOYSA-N;131.13;0.07;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda_N0";;;;;;;1.17;;-1.13;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM459196;MM459196;CCC1(C#N)NC1C1CN1;KJGLSPVXNFHGLR-UHFFFAOYSA-N;137.19;-0.4;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP1_SP2";;;;;;;-1.06;;-3.82;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM459197;MM459197;N#CC=CC#CC#CCF;NRZHWZNPSBGPHN-UHFFFAOYSA-N;133.13;1.04;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_N0";;;;;;;1.17;;-1.18;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM459198;MM459198;C=CC1(CN)NC1C1CN1;CKBVXCAIEUAWAD-UHFFFAOYSA-N;139.2;-1.19;;;;;DOPC;MDCG;27;1;"MARTINI bead: SP2_SP2";;;;;;;-1.34;;-6.24;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM459199;MM459199;C=NN=CC#CC#CCC;PCURYBVAFDGYJF-UHFFFAOYSA-N;132.17;1.09;;;;;DOPC;MDCG;27;0;"MARTINI bead: C2_N0";;;;;;;3.13;;0.3;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM459200;MM459200;C#CCNN=CCC=CC;WTXOFKNIFJNVLS-UHFFFAOYSA-N;136.2;1.16;;;;;DOPC;MDCG;27;0;"MARTINI bead: C2_P1";;;;;;;2;;0.3;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM459201;MM459201;C=NN=CC#CC#CCN;UWTUPTLDQNDIIF-UHFFFAOYSA-N;133.15;-0.36;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_N0";;;;;;;1.17;;-2.23;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM459202;MM459202;N#CC1(CF)NC1C1CN1;FREAWKHWXOYYFB-UHFFFAOYSA-N;141.15;-0.84;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP2_SP2";;;;;;;-1.34;;-4.31;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM459203;MM459203;C=CC1(CC)NC1C1CO1;BZKPKQPKXPVXPJ-UHFFFAOYSA-N;139.2;0.69;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNd_SP1";;;;;;;0.04;;-2.63;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM459204;MM459204;C=NN=CC#CC#CCO;HDCUKAAPXXKNSI-UHFFFAOYSA-N;134.14;-0.33;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda_C5";;;;;;;1.64;;0.05;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM459205;MM459205;CCC1(C=O)NC1C1CO1;SJXCKBWSSPNHEJ-UHFFFAOYSA-N;141.17;-0.3;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP1_SP1";;;;;;;-0.79;;-3.13;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM459206;MM459206;C=NN=CC#CC#CCF;QBOBHSAFOSNBQF-UHFFFAOYSA-N;136.13;0.65;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_C5";;;;;;;1.64;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM459207;MM459207;CCC1(C#N)NC1C1CO1;JJCZCYQKGWVDNT-UHFFFAOYSA-N;138.17;0.03;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP1_SP1";;;;;;;-0.79;;-3.13;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM459208;MM459208;C=CC#CC#CC=CC=C;LLPMPCJZSDKYDM-UHFFFAOYSA-N;128.17;1.92;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1_C4";;;;;;;4.24;;0.42;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM459209;MM459209;C=CC=CC#CC#CC=O;JJQVQSJBTJAOMM-UHFFFAOYSA-N;130.15;0.93;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4_P1";;;;;;;1.37;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM459210;MM459210;C=CC1(CN)NC1C1CO1;WXSYDUAMLFVIHV-UHFFFAOYSA-N;140.19;-0.76;;;;;DOPC;MDCG;27;1;"MARTINI bead: SP2_SP1";;;;;;;-1.06;;-5.75;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM459211;MM459211;C=CC=CC#CC#CC#N;FAMBJPWNHIAHIE-UHFFFAOYSA-N;127.15;1.26;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4_N0";;;;;;;2.5;;0.44;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM459212;MM459212;CCC=NN=CCOC=O;BKMBAGMEHQOJRQ-UHFFFAOYSA-N;142.16;0.63;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4_P1";;;;;;;1.37;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM459213;MM459213;N#CC1=NCCN1;VUIZBPOXADFCNT-UHFFFAOYSA-N;95.11;-0.49;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP1_SP2";;;;;;;-1.06;;-3.82;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM459214;MM459214;C=CC#CC#CC=CC=O;BNMIKPBVYOIMST-UHFFFAOYSA-N;130.15;0.93;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4_Na";;;;;;;2.2;;0.34;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM459215;MM459215;O=CC1(CF)NC1C1CO1;RSFNDHHCAUTOTJ-UHFFFAOYSA-N;145.13;-0.74;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP2_SP1";;;;;;;-1.06;;-3.82;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM459216;MM459216;C=CC#CC#CC=CC#N;BSMPUMPDRLJRRZ-UHFFFAOYSA-N;127.15;1.26;;;;;DOPC;MDCG;27;0;"MARTINI bead: N0_N0";;;;;;;1.47;;-0.05;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM459217;MM459217;N#CC1(CF)NC1C1CO1;LGXSXVMWXVMPGP-UHFFFAOYSA-N;142.13;-0.41;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP2_SP1";;;;;;;-1.06;;-3.82;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM459218;MM459218;O=CC#CC#CC=CC=O;BGFJNUFNYSFMGC-UHFFFAOYSA-N;132.12;-0.05;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_C5";;;;;;;1.64;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM459219;MM459219;C=CC1(CC)OC1C1CC1;CEBFJFNIYACOCP-UHFFFAOYSA-N;138.21;2.13;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNa_SC5";;;;;;;1.64;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM459220;MM459220;N#CC=CC#CC#CC=O;UILNDGSNIHMEHX-UHFFFAOYSA-N;129.12;0.27;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_N0";;;;;;;1.94;;0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM459221;MM459221;CCC1(C=O)OC1C1CC1;JZIIUNVIXSZUTG-UHFFFAOYSA-N;140.18;1.14;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNa_SC5";;;;;;;1.64;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM459222;MM459222;N#CC#CC#CC=CC=O;JQVMWKVOPYLGBG-UHFFFAOYSA-N;129.12;0.27;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_N0";;;;;;;1.17;;-1.18;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM459223;MM459223;CCC1(C#N)OC1C1CC1;AAMJUEPYNZTXAC-UHFFFAOYSA-N;137.18;1.47;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNa_SC5";;;;;;;1.64;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM459224;MM459224;C=CC#CC#CC=NN=C;GYKTXCABQQLVTF-UHFFFAOYSA-N;130.15;0.87;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4_N0";;;;;;;2.5;;0.44;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM459225;MM459225;C=CC1(CN)OC1C1CC1;ZMOGUPMUYKHVRR-UHFFFAOYSA-N;139.2;0.68;;;;;DOPC;MDCG;27;1;"MARTINI bead: SP1_SC5";;;;;;;0.81;;-2.48;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM459226;MM459226;C=NN=CC#CC#CC=O;DKGRIWRSKJJDDQ-UHFFFAOYSA-N;132.12;-0.12;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_C5";;;;;;;2.41;;0.64;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM459227;MM459227;N#CC1(CO)OC1C1CC1;BFGGBQYJYOTIKQ-UHFFFAOYSA-N;139.15;0.05;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP2_SC5";;;;;;;0.54;;-1.09;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM459228;MM459228;C=NN=CC#CC#CC#N;FDHLQKHVDJEMCX-UHFFFAOYSA-N;129.12;0.2;;;;;DOPC;MDCG;27;0;"MARTINI bead: N0_N0";;;;;;;1.47;;-0.05;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM459229;MM459229;C=CC1(CF)OC1C1CC1;JALPXAPEQATYPA-UHFFFAOYSA-N;142.17;1.69;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNa_SC5";;;;;;;1.64;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM459230;MM459230;C#CC#CC#CC=CC=C;OXOYQGSVLVQVDK-UHFFFAOYSA-N;126.16;1.37;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1_C4";;;;;;;4.24;;0.42;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM459231;MM459231;CCC1(C#N)OC1C1CN1;SQXSRIXGBFBWAZ-UHFFFAOYSA-N;138.17;0.03;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNa_SP2";;;;;;;-0.24;;-3.24;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM459232;MM459232;C#CC#CC#CC=CC=O;YZDIZAOHDWYDBH-UHFFFAOYSA-N;128.13;0.38;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_C4";;;;;;;2.2;;0.34;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM459233;MM459233;C=CC1(CN)OC1C1CN1;HAIDDDZPDFZHLX-UHFFFAOYSA-N;140.19;-0.76;;;;;DOPC;MDCG;27;1;"MARTINI bead: SP1_SP2";;;;;;;-1.06;;-5.81;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM459234;MM459234;C#CC#CC#CC=NN=C;ATUXSIWQDMAYQD-UHFFFAOYSA-N;128.13;0.31;;;;;DOPC;MDCG;27;0;"MARTINI bead: N0_C4";;;;;;;2.5;;0.44;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM459235;MM459235;CN1C=CC(=O)CC1;FYVXQMLPGIHTKN-UHFFFAOYSA-N;111.14;0.4;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNd_SP2";;;;;;;-0.24;;-3.16;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM459236;MM459236;C#CC=CC#CC#CCC;AZVURMXRQULGBT-UHFFFAOYSA-N;128.17;1.59;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_C4";;;;;;;2.97;;0.45;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM459237;MM459237;N#CC1(CF)OC1C1CN1;PDSWLIYBKZBDKC-UHFFFAOYSA-N;142.13;-0.41;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP1_SP2";;;;;;;-1.06;;-3.82;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM459238;MM459238;C#CC=CC#CC#CCN;MWNOPRLVPAGWLI-UHFFFAOYSA-N;129.16;0.14;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_C4";;;;;;;2.2;;-0.63;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM459239;MM459239;C=CC1(CC)OC1C1CO1;QCRNZNAGAKDJKB-UHFFFAOYSA-N;140.18;1.12;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNa_SP1";;;;;;;0.04;;-2.54;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM459240;MM459240;C#CC=CC#CC#CCO;LHEOPQSNVLSVPS-UHFFFAOYSA-N;130.15;0.17;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_C4";;;;;;;1.09;;-0.38;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM459241;MM459241;CCC1(C=O)OC1C1CO1;XORCVXRQCPWWAC-UHFFFAOYSA-N;142.15;0.13;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNa_SP1";;;;;;;0.04;;-2.54;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM459242;MM459242;C#CC=CC#CC#CCF;VQUNQAAPCZFWBP-UHFFFAOYSA-N;132.14;1.15;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_C4";;;;;;;2.2;;0.34;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM459243;MM459243;CCC1(C#N)OC1C1CO1;JUAMILHZJQBCFQ-UHFFFAOYSA-N;139.15;0.46;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNa_SP1";;;;;;;0.04;;-2.54;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM459244;MM459244;C#CC=CC#CC#CC=C;CCBVHMPXAPHATO-UHFFFAOYSA-N;126.16;1.37;;;;;DOPC;MDCG;27;0;"MARTINI bead: N0_C4";;;;;;;2.5;;0.44;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM459245;MM459245;C=CC1(CN)OC1C1CO1;GFDFJLWMZVBRTD-UHFFFAOYSA-N;141.17;-0.33;;;;;DOPC;MDCG;27;1;"MARTINI bead: SP1_SP1";;;;;;;-0.79;;-5.13;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM459246;MM459246;C#CC=CC#CC#CC=O;WCXAGTDXLLZSNE-UHFFFAOYSA-N;128.13;0.38;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_C4";;;;;;;1.37;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM459247;MM459247;C=CC1(CO)OC1C1CO1;LJZLDTWKWYMFBZ-UHFFFAOYSA-N;142.15;-0.3;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP1_SP1";;;;;;;-0.79;;-3.13;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM459248;MM459248;CCC#CC#CC#CCC;XDZRKRMSNNRZMY-UHFFFAOYSA-N;130.19;1.82;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_C2";;;;;;;3.6;;0.34;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM459249;MM459249;O=CC1(CO)OC1C1CO1;UQTKHBIGKKKPBX-UHFFFAOYSA-N;144.13;-1.29;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP2_SP1";;;;;;;-1.06;;-3.82;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM459250;MM459250;CCC#CC#CC#CCN;SJBSXBCJPZYZPA-UHFFFAOYSA-N;131.18;0.37;;;;;DOPC;MDCG;27;1;"MARTINI bead: C2_P2";;;;;;;1.72;;-0.5;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM459251;MM459251;N#CC1(CO)OC1C1CO1;SHEXSFAIZUBAKI-UHFFFAOYSA-N;141.13;-0.96;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP2_SP1";;;;;;;-1.06;;-3.82;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM459252;MM459252;CCC#CC#CC#CCO;SOCBFXQTXSPZMJ-UHFFFAOYSA-N;132.16;0.4;;;;;DOPC;MDCG;27;0;"MARTINI bead: C2_P2";;;;;;;1.72;;0.27;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM459253;MM459253;CCC1(C=O)CC1N1CC1;VIQUDSLKMCRUDV-UHFFFAOYSA-N;139.2;0.67;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNa_SP1";;;;;;;0.04;;-2.54;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM459254;MM459254;CCC#CC#CC#CCF;GMQCPWLQXXPVLP-UHFFFAOYSA-N;134.15;1.38;;;;;DOPC;MDCG;27;0;"MARTINI bead: C2_Na";;;;;;;2.83;;0.35;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM459255;MM459255;CCC1(C#N)CC1N1CC1;GGRODEZMOLGJMD-UHFFFAOYSA-N;136.2;0.99;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC5_SP1";;;;;;;0.81;;-0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM459256;MM459256;NCC#CC#CC#CCN;HUWFGKBWNXVHSY-UHFFFAOYSA-N;132.17;-1.09;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_Nd";;;;;;;0.87;;-3.59;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM459257;MM459257;C=CC1(CN)CC1N1CC1;BGOCQABYJCDUNT-UHFFFAOYSA-N;138.21;0.21;;;;;DOPC;MDCG;27;1;"MARTINI bead: SNd_SP1";;;;;;;0.04;;-4.74;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM459258;MM459258;NCC#CC#CC#CCO;QCQWNUGFFGOXCQ-UHFFFAOYSA-N;133.15;-1.05;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_Nda";;;;;;;0.87;;-3.09;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM459259;MM459259;CN=C1NOC(C)O1;BOVXXMREHFMYMD-UHFFFAOYSA-N;116.12;-0.13;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP2_SP2";;;;;;;-1.34;;-4.31;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM459260;MM459260;NCC#CC#CC#CCF;WFKQJLRGZCDYTM-UHFFFAOYSA-N;135.14;-0.08;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_C5";;;;;;;1.64;;-1.07;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM459261;MM459261;C=NN=CCOC=O;KSDAPGWECIHLRD-UHFFFAOYSA-N;114.1;-0.15;;;;;DOPC;MDCG;27;0;"MARTINI bead: N0_P1";;;;;;;0.34;;-1.53;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM459262;MM459262;OCC#CC#CC#CCO;IUGRJMLANWEUKN-UHFFFAOYSA-N;134.13;-1.02;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda_Nda";;;;;;;0.87;;-2.07;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM459263;MM459263;C=CC1(CF)CC1N1CC1;QAMXXYKHLXMUDX-UHFFFAOYSA-N;141.19;1.22;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC5_SP1";;;;;;;0.81;;-0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM459264;MM459264;OCC#CC#CC#CCF;CVKHZMZTUMSQFK-UHFFFAOYSA-N;136.13;-0.04;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda_C5";;;;;;;1.64;;0.05;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM459265;MM459265;C=CC1(NC)CC1N1CC1;LEQQUEPCATUKJX-UHFFFAOYSA-N;138.21;0.22;;;;;DOPC;MDCG;27;1;"MARTINI bead: SNd_SP1";;;;;;;0.04;;-4.2;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM459266;MM459266;FCC#CC#CC#CCF;KMTYFOGIDBGEJK-UHFFFAOYSA-N;138.12;0.94;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_C5";;;;;;;2.41;;0.64;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM459267;MM459267;CNC1(C#N)CC1N1CC1;RJZQVFBKVYRVLM-UHFFFAOYSA-N;137.19;-0.44;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP1_SP1";;;;;;;-0.79;;-3.13;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM459268;MM459268;C=CC#CC#CC#CCC;ACVNWGNBJAQZEY-UHFFFAOYSA-N;128.17;1.59;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_C4";;;;;;;2.97;;0.45;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM459269;MM459269;C=CC1(OC)CC1N1CC1;FTUKRGUODQKFPE-UHFFFAOYSA-N;139.2;0.65;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNa_SP1";;;;;;;0.04;;-2.54;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM459270;MM459270;CCC#CC#CC#CC=O;KCAOYOSALSXOPI-UHFFFAOYSA-N;130.15;0.61;;;;;DOPC;MDCG;27;0;"MARTINI bead: C2_P1";;;;;;;2;;0.29;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM459271;MM459271;COC1(C=O)CC1N1CC1;CKMHBUILCQHXFL-UHFFFAOYSA-N;141.17;-0.34;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNa_SP1";;;;;;;0.04;;-2.54;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM459272;MM459272;CCC#CC#CC#CC#N;DDQMKGOVZMVPQT-UHFFFAOYSA-N;127.15;0.93;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_N0";;;;;;;1.94;;0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM459273;MM459273;COC1(C#N)CC1N1CC1;GXMORTSMNCEHDN-UHFFFAOYSA-N;138.17;-0.02;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNa_SP1";;;;;;;0.04;;-2.54;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM459274;MM459274;C=CC#CC#CC#CCN;BEBSTDCUGGBWJM-UHFFFAOYSA-N;129.16;0.14;;;;;DOPC;MDCG;27;1;"MARTINI bead: P2_C4";;;;;;;1.09;;-1.51;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM459275;MM459275;C=CC1(CC)CN1C1CC1;RWZYYAMGCYFOQV-UHFFFAOYSA-N;137.23;1.8;;;;;DOPC;MDCG;27;0;"MARTINI bead: SN0_SP1";;;;;;;0.34;;-1.53;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM459276;MM459276;C=CC#CC#CC#CCO;LVPSQYNIEPKJSV-UHFFFAOYSA-N;130.15;0.17;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda_C4";;;;;;;2.2;;0.49;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM459277;MM459277;CCC1(C=O)CN1C1CC1;SBGITLUVSOWSSS-UHFFFAOYSA-N;139.2;0.81;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP1_SP1";;;;;;;-0.79;;-3.13;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM459278;MM459278;O=CC#CC#CC#CCO;JXTAVJWBDBLJEO-UHFFFAOYSA-N;132.12;-0.81;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda_C5";;;;;;;1.64;;0.05;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM459279;MM459279;CCC1(C#N)CN1C1CC1;CKYGJCACFNOMCF-UHFFFAOYSA-N;136.2;1.14;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP1_SP1";;;;;;;-0.79;;-3.13;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM459280;MM459280;N#CC#CC#CC#CCO;BNHLFGVZDDCGCU-UHFFFAOYSA-N;129.12;-0.49;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda_N0";;;;;;;1.17;;-1.13;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM459281;MM459281;C=CC1(CN)CN1C1CC1;BCIAJBMBIINVBB-UHFFFAOYSA-N;138.21;0.35;;;;;DOPC;MDCG;27;1;"MARTINI bead: SP2_SP1";;;;;;;-1.06;;-5.75;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM459282;MM459282;C=CC#CC#CC#CCF;LQOSRHVXDSUHNE-UHFFFAOYSA-N;132.14;1.15;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_C4";;;;;;;2.2;;0.34;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM459283;MM459283;CC=NNCC(C)(F)F;RBTVMTYPDCVEFI-UHFFFAOYSA-N;136.15;1.24;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nd_N0";;;;;;;1.17;;-1.04;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM459284;MM459284;O=CC#CC#CC#CCF;RSDHKYJADXNMAF-UHFFFAOYSA-N;134.11;0.17;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_C5";;;;;;;2.41;;0.64;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM459285;MM459285;C#CC1=NC(=O)C=C1N;ZXGGOXPXEYTEKY-UHFFFAOYSA-N;120.11;-0.56;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNa_SNd";;;;;;;0.87;;-1.88;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM459286;MM459286;N#CC#CC#CC#CCF;JBGUABARKBLNHX-UHFFFAOYSA-N;131.11;0.49;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_N0";;;;;;;1.17;;-1.18;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM459287;MM459287;CC1C(C#N)C=NN1C;HDBQHTLOODVZSY-UHFFFAOYSA-N;123.16;0.45;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP1_SP1";;;;;;;-0.79;;-3.13;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM459288;MM459288;C#CC#CC#CC#CCC;INAKSMAGDAAWKE-UHFFFAOYSA-N;126.16;1.04;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_C4";;;;;;;2.97;;0.45;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM459289;MM459289;C#CC1(CC)CC1C1CC1;BYFACZGOZHWEAP-UHFFFAOYSA-N;134.22;2.45;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC4_SC5";;;;;;;2.97;;0.45;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM459290;MM459290;C#CC#CC#CC#CCN;JDJJJHHQDFXXCE-UHFFFAOYSA-N;127.15;-0.41;;;;;DOPC;MDCG;27;1;"MARTINI bead: P2_C4";;;;;;;1.09;;-1.51;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM459291;MM459291;C#CC1(CN)CC1C1CC1;QBGBWTCHIQOTSB-UHFFFAOYSA-N;135.21;0.99;;;;;DOPC;MDCG;27;1;"MARTINI bead: SNd_SC5";;;;;;;1.64;;-2.39;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM459292;MM459292;C#CC#CC#CC#CCO;XKOYANKECMITFZ-UHFFFAOYSA-N;128.13;-0.38;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_C4";;;;;;;1.09;;-0.38;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM459293;MM459293;CCC1ONC(=NC)O1;YTAUXRDWYBHZRY-UHFFFAOYSA-N;130.15;0.26;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP1_SP2";;;;;;;-1.06;;-3.82;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM459294;MM459294;C#CC#CC#CC#CCF;CQWBOWADLIQEPM-UHFFFAOYSA-N;130.12;0.6;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_C4";;;;;;;2.2;;0.34;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM459295;MM459295;C#CC1(CF)CC1C1CC1;ZSMCSLAMISCVJF-UHFFFAOYSA-N;138.19;2.01;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNa_SC5";;;;;;;1.64;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM459296;MM459296;C=CC#CC#CC#CC=C;SMMMDTUNSWBSKJ-UHFFFAOYSA-N;126.16;1.37;;;;;DOPC;MDCG;27;0;"MARTINI bead: N0_C4";;;;;;;2.5;;0.44;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM459297;MM459297;C#CC1(NC)CC1C1CC1;JWJNOUSZBVWBKT-UHFFFAOYSA-N;135.21;1.01;;;;;DOPC;MDCG;27;1;"MARTINI bead: SNd_SC5";;;;;;;1.64;;-1.57;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM459298;MM459298;C#CC1(OC)CC1C1CC1;VSWICWZTIXYBPC-UHFFFAOYSA-N;136.19;1.43;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNa_SC5";;;;;;;1.64;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM459299;MM459299;C=CC#CC#CC#CC=O;ABSWEIMHAOCLPN-UHFFFAOYSA-N;128.13;0.38;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4_P1";;;;;;;1.37;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM459300;MM459300;C=CC#CC#CC#CC#N;IIDPCZJCSZZMJT-UHFFFAOYSA-N;125.13;0.71;;;;;DOPC;MDCG;27;0;"MARTINI bead: N0_N0";;;;;;;1.47;;-0.05;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM459301;MM459301;C#CC1(CN)CC1C1CN1;HODSSIHDQHBVPZ-UHFFFAOYSA-N;136.2;-0.44;;;;;DOPC;MDCG;27;1;"MARTINI bead: SNd_SP2";;;;;;;-0.24;;-5.64;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM459302;MM459302;O=CC#CC#CC#CC=O;AORSOOBOPKQIOC-UHFFFAOYSA-N;130.1;-0.61;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_C5";;;;;;;2.41;;0.64;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM459303;MM459303;C#CC1(NC)CC1C1CN1;ZGYTWWLZAKJSGP-UHFFFAOYSA-N;136.2;-0.43;;;;;DOPC;MDCG;27;1;"MARTINI bead: SNd_SP2";;;;;;;-0.24;;-4.48;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM459304;MM459304;N#CC#CC#CC#CC=O;NCOQFQPQEMSTJG-UHFFFAOYSA-N;127.1;-0.28;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_N0";;;;;;;1.94;;0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM459305;MM459305;C#CC1(CC)CC1C1CO1;MDLXTRFWIMIJCL-UHFFFAOYSA-N;136.19;1.43;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC4_SP1";;;;;;;1.37;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM459306;MM459306;C#CC1(CN)CC1C1CO1;ZAACDKRSHWVLGX-UHFFFAOYSA-N;137.18;-0.02;;;;;DOPC;MDCG;27;1;"MARTINI bead: SNd_SNa";;;;;;;0.87;;-4.38;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM459307;MM459307;C#CC#CC#CC#CC=C;IBKSEIOPSQQGLB-UHFFFAOYSA-N;124.14;0.82;;;;;DOPC;MDCG;27;0;"MARTINI bead: N0_C4";;;;;;;2.5;;0.44;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM459308;MM459308;C#CC1(CO)CC1C1CO1;IBCCPWNMZLEBBV-UHFFFAOYSA-N;138.17;0.02;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNda_SP1";;;;;;;0.04;;-2.73;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM459309;MM459309;C#CC#CC#CC#CC=O;BZJNNUBGXRTKMH-UHFFFAOYSA-N;126.11;-0.17;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_C4";;;;;;;2.97;;0.45;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM459310;MM459310;C#CC1(NC)CC1C1CO1;MONNRMVRWBNKJV-UHFFFAOYSA-N;137.18;;;;;;DOPC;MDCG;27;1;"MARTINI bead: SNd_SP1";;;;;;;0.04;;-4.08;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM459311;MM459311;CC#CC(F)C=NOC=O;MNWPJSIKRWIGDV-UHFFFAOYSA-N;143.12;0.51;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_P1";;;;;;;0.81;;-0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM459312;MM459312;C#CC1(OC)CC1C1CO1;TZXHCKAYNBHIGO-UHFFFAOYSA-N;138.17;0.42;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNa_SP1";;;;;;;0.04;;-2.54;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM459313;MM459313;NN=c1occoc1=NO;VNWUDKLEZMQRPH-UHFFFAOYSA-N;143.1;-1.06;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP1_SP2";;;;;;;-1.06;;-3.82;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM459314;MM459314;C#CC1(CC)NC1C1CC1;YESFPOGLVKLTAM-UHFFFAOYSA-N;135.21;1.15;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNd_SC5";;;;;;;1.64;;0.03;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM459315;MM459315;CCC(=CN)C(=O)N(C)N;HRSLEOULELBMRX-UHFFFAOYSA-N;143.19;-0.43;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_P4";;;;;;;-0.41;;-2.78;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM459316;MM459316;C#CC1(CN)NC1C1CC1;AZOOLCXCQVNUEZ-UHFFFAOYSA-N;136.2;-0.3;;;;;DOPC;MDCG;27;1;"MARTINI bead: SP2_SC5";;;;;;;0.54;;-2.68;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM459317;MM459317;NN=c1ocnoc1=NO;SOCGKIWNRVPPIK-UHFFFAOYSA-N;144.09;-1.67;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP2_SP2";;;;;;;-1.34;;-4.31;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM459318;MM459318;CC=NN=CCOC=O;MOMJYIYZSPWXKA-UHFFFAOYSA-N;128.13;0.24;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_P1";;;;;;;0.81;;-0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM459319;MM459319;CC=c1ccccc1=CC;ZJJSBFXIVQLAEC-UHFFFAOYSA-N;132.21;1.29;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC5_SC1";;;;;;;3.68;;0.46;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM459320;MM459320;C#CC1(CN)NC1C1CN1;DHTGNNQVAOERJA-UHFFFAOYSA-N;137.19;-1.74;;;;;DOPC;MDCG;27;1;"MARTINI bead: SP2_SP2";;;;;;;-1.34;;-5.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM459321;MM459321;CC=c1ccccc1=CF;SIQASMGNSSSBRI-UHFFFAOYSA-N;136.17;1.19;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC5_SC2";;;;;;;3.6;;0.34;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM459322;MM459322;C#CC1(CC)NC1C1CO1;BCYGEAIGNWRONA-UHFFFAOYSA-N;137.18;0.14;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNd_SP1";;;;;;;0.04;;-2.63;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM459323;MM459323;FC=c1ccccc1=CF;WINYVLCRJZZCFM-UHFFFAOYSA-N;140.13;1.1;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC4_SC5";;;;;;;2.97;;0.45;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM459324;MM459324;C#CC1(CN)NC1C1CO1;FDZOVHGLAVUCDY-UHFFFAOYSA-N;138.17;-1.31;;;;;DOPC;MDCG;27;1;"MARTINI bead: SP2_SP1";;;;;;;-1.06;;-5.42;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM459325;MM459325;NCCCCCCC1CC1;DZEJRHSZNSUZSU-UHFFFAOYSA-N;141.26;2.31;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_SC3";;;;;;;2.57;;-1.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM459326;MM459326;C#CCNN=CC1CC1;DGFUZBNJGIAIJB-UHFFFAOYSA-N;122.17;0.61;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_SC5";;;;;;;0.81;;-0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM459327;MM459327;CCOCCCCC1CC1;DOXXIFCVYGTQHS-UHFFFAOYSA-N;142.24;2.6;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_SC3";;;;;;;3.34;;0.48;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM459328;MM459328;C#CC1(CF)NC1C1CO1;GBYAMYIQSVIDAU-UHFFFAOYSA-N;141.15;-0.3;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP2_SP1";;;;;;;-1.06;;-3.82;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM459329;MM459329;CCCCOCCC1CC1;YFBIFSYRJHMJKK-UHFFFAOYSA-N;142.24;2.6;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4_SC5";;;;;;;2.97;;0.45;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM459330;MM459330;C#CC1(CC)OC1C1CC1;PVDGFLNDKBLVEF-UHFFFAOYSA-N;136.19;1.58;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNa_SC5";;;;;;;1.64;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM459331;MM459331;CCCNCCCC1CN1;QOZAGCDZOXXTQC-UHFFFAOYSA-N;142.25;0.74;;;;;DOPC;MDCG;27;1;"MARTINI bead: C5_SP1";;;;;;;0.81;;-3.8;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM459332;MM459332;C#CC1(CN)OC1C1CC1;HFSMHXUEZRNSBS-UHFFFAOYSA-N;137.18;0.13;;;;;DOPC;MDCG;27;1;"MARTINI bead: SP2_SC5";;;;;;;0.54;;-2.73;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM459333;MM459333;C=CCOCCCC1CC1;BDPMJTHTTBHKNU-UHFFFAOYSA-N;140.23;2.38;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_SC5";;;;;;;2.41;;0.64;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM459334;MM459334;C#CC1(CF)OC1C1CC1;AAHWNSWHMGPUHJ-UHFFFAOYSA-N;140.16;1.14;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNa_SC5";;;;;;;1.64;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM459335;MM459335;N#CCOCCCC1CC1;ZFQVLGOERQWHNJ-UHFFFAOYSA-N;139.2;1.72;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_SC5";;;;;;;1.64;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM459336;MM459336;C#CC1(CN)OC1C1CN1;JXWQPAGUBKQTLI-UHFFFAOYSA-N;138.17;-1.31;;;;;DOPC;MDCG;27;1;"MARTINI bead: SP2_SP2";;;;;;;-1.34;;-5.95;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM459337;MM459337;C=CCNCCOC1CC1;OVQXEAWHVJYCKT-UHFFFAOYSA-N;141.21;0.94;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_SP1";;;;;;;0.04;;-4.31;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM459338;MM459338;C#CC1(CC)OC1C1CO1;YJANSYYDKFUZHS-UHFFFAOYSA-N;138.17;0.57;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNa_SP1";;;;;;;0.04;;-2.54;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM459339;MM459339;C=CCNCCCN1CC1;MDYNFZSEEWAGFL-UHFFFAOYSA-N;140.23;0.47;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_SP1";;;;;;;0.04;;-4.79;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM459340;MM459340;C#CC1(CN)OC1C1CO1;QYEYGUBLFSKCFB-UHFFFAOYSA-N;139.15;-0.89;;;;;DOPC;MDCG;27;1;"MARTINI bead: SP2_SP1";;;;;;;-1.06;;-5.46;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM459341;MM459341;C#CC1(CO)OC1C1CO1;JCDAIWUSAFDABW-UHFFFAOYSA-N;140.14;-0.85;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP2_SP1";;;;;;;-1.06;;-3.82;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM459342;MM459342;C#CCOCCCC1CC1;DZJMGSJSMRAXOS-UHFFFAOYSA-N;138.21;1.83;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_SC5";;;;;;;1.64;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM459343;MM459343;C#CCCNCCC1CC1;UUZHDZGEFWAYRQ-UHFFFAOYSA-N;137.23;1.4;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_SC5";;;;;;;1.64;;-2.73;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM459344;MM459344;C#CC1(CN)CC1N1CC1;XHDNTXVVFUTHFA-UHFFFAOYSA-N;136.2;-0.35;;;;;DOPC;MDCG;27;1;"MARTINI bead: SNd_SP1";;;;;;;0.04;;-4.79;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM459345;MM459345;C#CCCOCCC1CC1;FMOSVKHHINUHEB-UHFFFAOYSA-N;138.21;1.83;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_SC5";;;;;;;1.64;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM459346;MM459346;CCC(C)(O)C(C)C(C)C;MBNSPIXVDWALLG-UHFFFAOYSA-N;144.26;2.44;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda_C1";;;;;;;2.91;;0.57;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM459347;MM459347;C#CCCCCNC1CC1;HVXUDOGGZPZLBW-UHFFFAOYSA-N;137.23;1.54;;;;;DOPC;MDCG;27;1;"MARTINI bead: C1_SP1";;;;;;;2.08;;-1.25;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM459348;MM459348;C#CC1(NC)CC1N1CC1;UFHUYJAWXHRISB-UHFFFAOYSA-N;136.2;-0.33;;;;;DOPC;MDCG;27;1;"MARTINI bead: SNd_SP1";;;;;;;0.04;;-3.66;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM459349;MM459349;C#CCCNCCC1CN1;SNGORRILQMYXTR-UHFFFAOYSA-N;138.21;-0.04;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_SP1";;;;;;;0.04;;-5.09;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM459350;MM459350;C#CC1(OC)CC1N1CC1;ZKKIAKSWNJNNKG-UHFFFAOYSA-N;137.18;0.09;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNa_SP1";;;;;;;0.04;;-2.54;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM459351;MM459351;C#CCCNCCC1CO1;GDLLNKCQUDZYHM-UHFFFAOYSA-N;139.2;0.39;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_SNa";;;;;;;0.87;;-4.5;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM459352;MM459352;C#CC1(CC)CN1C1CC1;RKMMZJXWLWXLQV-UHFFFAOYSA-N;135.21;1.25;;;;;DOPC;MDCG;27;0;"MARTINI bead: SN0_SP1";;;;;;;0.34;;-1.53;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM459353;MM459353;C#CCOCCCN1CC1;ZLGSLDADTWFYOV-UHFFFAOYSA-N;139.2;0.34;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_SP1";;;;;;;0.04;;-2.54;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM459354;MM459354;C#CC1(CN)CN1C1CC1;RRKKWNFNPFOQNK-UHFFFAOYSA-N;136.2;-0.2;;;;;DOPC;MDCG;27;1;"MARTINI bead: SP2_SP1";;;;;;;-1.06;;-5.43;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM459355;MM459355;CC=CCCCCC1CC1;GVDZGISBASBWGQ-UHFFFAOYSA-N;138.25;3.53;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1_SC3";;;;;;;4.61;;0.31;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM459356;MM459356;CCC(O)(CC)CC(C)C;RMBUNHOAKTUXTC-UHFFFAOYSA-N;144.26;2.58;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_C3";;;;;;;3.34;;0.48;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM459357;MM459357;CCC=CCCNC1CC1;CHUYXWCKKVCKAJ-UHFFFAOYSA-N;139.24;2.09;;;;;DOPC;MDCG;27;1;"MARTINI bead: C1_SNd";;;;;;;2.91;;-0.57;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM459358;MM459358;C#CC1(CF)CN1C1CC1;FTHIIENLJLEEJJ-UHFFFAOYSA-N;139.17;0.81;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP2_SP1";;;;;;;-1.06;;-3.82;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM459359;MM459359;C=CC=COCCC1CC1;RMFJPEBHZZHESJ-UHFFFAOYSA-N;138.21;2.5;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4_SC5";;;;;;;2.97;;0.45;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM459360;MM459360;CCC1CC1C1(CC)CC1;GCDSJZKVJCYXDB-UHFFFAOYSA-N;138.25;3.22;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC3_SC3";;;;;;;4.27;;0.2;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM459361;MM459361;C=CC=COCCN1CC1;ILUCKBBTTVKLKI-UHFFFAOYSA-N;139.2;1.02;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4_SP1";;;;;;;1.37;;-0.05;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM459362;MM459362;CCC1(C2CC2CN)CC1;TUGGJRHKSVWEDD-UHFFFAOYSA-N;139.24;1.77;;;;;DOPC;MDCG;27;1;"MARTINI bead: SC3_SNd";;;;;;;2.57;;-1.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM459363;MM459363;C=CC=NOCCN1CC1;LAQTXZVLKVTGOO-UHFFFAOYSA-N;140.19;0.49;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_SP1";;;;;;;0.04;;-2.54;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM459364;MM459364;CCC(C)(CC)C(C)(C)O;AVQHNUMJCWRCBA-UHFFFAOYSA-N;144.26;2.58;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1_Nda";;;;;;;2.91;;0.57;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM459365;MM459365;CCC1(C2CC2CF)CC1;FAPYTJWADCYMPL-UHFFFAOYSA-N;142.22;2.78;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC3_SC5";;;;;;;3.34;;0.48;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM459366;MM459366;C#CC=NOCCC1CC1;JSLQSFNAHFTMOS-UHFFFAOYSA-N;137.18;1.42;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_SC5";;;;;;;1.64;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM459367;MM459367;C#CC=NOCCC1CO1;LCFSSARAVFORBY-UHFFFAOYSA-N;139.15;0.41;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_SNa";;;;;;;0.87;;-2.22;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM459368;MM459368;CCC1CC1C1(CN)CC1;WINYXNUTCMNBTA-UHFFFAOYSA-N;139.24;1.77;;;;;DOPC;MDCG;27;1;"MARTINI bead: SC3_SNd";;;;;;;2.57;;-1.21;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM459369;MM459369;C#CC=NOCCN1CC1;PQFYBMWOWBXXBB-UHFFFAOYSA-N;138.17;-0.06;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_SP1";;;;;;;0.04;;-2.54;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM459370;MM459370;NCC1CC1C1(CN)CC1;JMWOZVSSQLNGSX-UHFFFAOYSA-N;140.23;0.32;;;;;DOPC;MDCG;27;1;"MARTINI bead: SNd_SNd";;;;;;;0.87;;-5.08;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM459371;MM459371;C=CC#CCCCC1CC1;KKMJOPAROWIOHY-UHFFFAOYSA-N;134.22;2.76;;;;;DOPC;MDCG;27;0;"MARTINI bead: C2_SC5";;;;;;;3.6;;0.34;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM459372;MM459372;CCC(F)(F)CC=NOC;OGXGXGNGXJPIHR-UHFFFAOYSA-N;151.16;2.05;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_Na";;;;;;;1.64;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM459373;MM459373;N#CC#CCCCC1CC1;LAOCLJHVRFLGQZ-UHFFFAOYSA-N;133.19;2.09;;;;;DOPC;MDCG;27;0;"MARTINI bead: N0_SC5";;;;;;;1.94;;0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM459374;MM459374;NCC1CC1C1(CO)CC1;FEQIKTPNNDMWOC-UHFFFAOYSA-N;141.21;0.35;;;;;DOPC;MDCG;27;1;"MARTINI bead: SNd_SNda";;;;;;;0.87;;-4.72;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM459375;MM459375;C=CC#CCNCC1CC1;NVPKNCYUTFKFGL-UHFFFAOYSA-N;135.21;1.18;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_SC5";;;;;;;1.64;;-1.8;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM459376;MM459376;CNN=C(C)C(C)(F)C#N;YSGIRGQQHITWFG-UHFFFAOYSA-N;143.17;0.83;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nd_Na";;;;;;;0.87;;-1.88;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM459377;MM459377;C=CC#CCCNC1CC1;GRERCUQUAMRFEI-UHFFFAOYSA-N;135.21;1.32;;;;;DOPC;MDCG;27;1;"MARTINI bead: C4_SNd";;;;;;;2.2;;-1.68;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM459378;MM459378;CCC1CC1C1(CF)CC1;JYHNWZJHHMOAPF-UHFFFAOYSA-N;142.22;2.78;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC3_SC5";;;;;;;3.34;;0.48;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM459379;MM459379;N#CC#CCCNC1CC1;ZOZPRUSIHWPJLR-UHFFFAOYSA-N;134.18;0.66;;;;;DOPC;MDCG;27;1;"MARTINI bead: N0_SNd";;;;;;;1.17;;-3.07;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM459380;MM459380;NCC1CC1C1(CF)CC1;DBKGSLOEHKNEOK-UHFFFAOYSA-N;143.21;1.33;;;;;DOPC;MDCG;27;1;"MARTINI bead: SNd_SC5";;;;;;;1.64;;-2.7;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM459381;MM459381;C=CC#CCCCC1CO1;ZUTFEYAWIIPYKZ-UHFFFAOYSA-N;136.19;1.74;;;;;DOPC;MDCG;27;0;"MARTINI bead: C2_SNa";;;;;;;2.83;;0.35;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM459382;MM459382;C=NNC(C)(CF)C(C)F;VZULKDFGGDBCOC-UHFFFAOYSA-N;150.17;1.28;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4_P1";;;;;;;1.37;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM459383;MM459383;N#CC#CCCCC1CO1;ASIBVLMESAUTNV-UHFFFAOYSA-N;135.17;1.08;;;;;DOPC;MDCG;27;0;"MARTINI bead: N0_SNa";;;;;;;1.17;;-1.18;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM459384;MM459384;FCC1CC1C1(CF)CC1;PHVFWUIVKKRCSK-UHFFFAOYSA-N;146.18;2.34;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC5_SC5";;;;;;;2.41;;0.64;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM459385;MM459385;N#CC#CCCCN1CC1;XNOVJLGPKQKUDB-UHFFFAOYSA-N;134.18;0.61;;;;;DOPC;MDCG;27;0;"MARTINI bead: N0_SNd";;;;;;;1.17;;-1.04;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM459386;MM459386;CCC1(C2CC2NC)CC1;ZNFSZQOLFYOECO-UHFFFAOYSA-N;139.24;1.78;;;;;DOPC;MDCG;27;1;"MARTINI bead: SC3_SNd";;;;;;;2.57;;-1.5;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM459387;MM459387;C#CC#CCCCC1CC1;DFXCWOHMUUQFJI-UHFFFAOYSA-N;132.21;2.2;;;;;DOPC;MDCG;27;0;"MARTINI bead: C2_SC5";;;;;;;3.6;;0.34;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM459388;MM459388;CNC1CC1C1(CO)CC1;XJCGUOOAUIXILW-UHFFFAOYSA-N;141.21;0.37;;;;;DOPC;MDCG;27;1;"MARTINI bead: SNd_SNda";;;;;;;0.87;;-4.4;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM459389;MM459389;C#CC#CCNCC1CC1;KVOTXYKRTRMLMK-UHFFFAOYSA-N;133.19;0.62;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_SC5";;;;;;;1.64;;-1.55;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM459390;MM459390;COC1CC1C1(CO)CC1;CPVIKBAPUZMRFJ-UHFFFAOYSA-N;142.2;0.79;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNa_SNda";;;;;;;0.87;;-1.99;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM459391;MM459391;C#CC#CCOCC1CC1;PMZIOXVBRPTEJT-UHFFFAOYSA-N;134.18;1.05;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_SC5";;;;;;;2.41;;0.64;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM459392;MM459392;COC1CC1C1(CF)CC1;LLKCUNSJHAGCQR-UHFFFAOYSA-N;144.19;1.77;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNa_SC5";;;;;;;1.64;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM459393;MM459393;C#CC#CCCNC1CC1;LLVGBIRCUWOXFL-UHFFFAOYSA-N;133.19;0.77;;;;;DOPC;MDCG;27;1;"MARTINI bead: C4_SNd";;;;;;;2.2;;-1.59;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM459394;MM459394;CCC1CC1C1(NC)CC1;VJMPMKNOQWFOOG-UHFFFAOYSA-N;139.24;1.78;;;;;DOPC;MDCG;27;1;"MARTINI bead: SC3_SNd";;;;;;;2.57;;-1.63;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM459395;MM459395;C#CC#CCCCC1CO1;FTSFPNCXYQVHOB-UHFFFAOYSA-N;134.18;1.19;;;;;DOPC;MDCG;27;0;"MARTINI bead: C2_SNa";;;;;;;2.83;;0.35;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM459396;MM459396;CNC1(C2CC2CN)CC1;NPJQDVIVYDYEGL-UHFFFAOYSA-N;140.23;0.33;;;;;DOPC;MDCG;27;1;"MARTINI bead: SNd_SNd";;;;;;;0.87;;-5.27;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM459397;MM459397;NCCC=CCCC1CC1;BKCKLTSGQTYZEK-UHFFFAOYSA-N;139.24;2.08;;;;;DOPC;MDCG;27;1;"MARTINI bead: C5_SC5";;;;;;;2.41;;-0.45;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM459398;MM459398;CNC1(C2CC2CO)CC1;RVQREABFIPDOMS-UHFFFAOYSA-N;141.21;0.37;;;;;DOPC;MDCG;27;1;"MARTINI bead: SNd_SNda";;;;;;;0.87;;-4.54;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM459399;MM459399;CNCC=CCCC1CC1;PLQLQPPFLFVBAA-UHFFFAOYSA-N;139.24;1.95;;;;;DOPC;MDCG;27;1;"MARTINI bead: C5_SC5";;;;;;;2.41;;-0.07;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM459400;MM459400;COC1(C2CC2CN)CC1;ZKRQFUKIJXALNK-UHFFFAOYSA-N;141.21;0.76;;;;;DOPC;MDCG;27;1;"MARTINI bead: SNa_SNd";;;;;;;0.87;;-4.68;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM459401;MM459401;CCCC=COCC1CC1;RPEYSROZPQSYPI-UHFFFAOYSA-N;140.23;2.73;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4_SC5";;;;;;;2.97;;0.45;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM459402;MM459402;CCC1(C2CC2CN)CN1;IQFZLQDFXZTQKV-UHFFFAOYSA-N;140.23;0.33;;;;;DOPC;MDCG;27;1;"MARTINI bead: SNd_SNd";;;;;;;0.87;;-4.92;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM459403;MM459403;CCCC=CCNC1CC1;BGJNABASDSCRPM-UHFFFAOYSA-N;139.24;2.09;;;;;DOPC;MDCG;27;1;"MARTINI bead: C1_SNd";;;;;;;2.91;;0.04;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM459404;MM459404;CCC1CC1C1(CN)CN1;LZCVMAIINBEXHH-UHFFFAOYSA-N;140.23;0.33;;;;;DOPC;MDCG;27;1;"MARTINI bead: SC3_SP2";;;;;;;1.46;;-2.01;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM459405;MM459405;NCCC=CCNC1CC1;SJRZFKMCBRUINZ-UHFFFAOYSA-N;140.23;0.64;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_SNd";;;;;;;0.87;;-4.96;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM459406;MM459406;NCC1CC1C1(CN)CN1;ZIPPKCRBLYODPU-UHFFFAOYSA-N;141.22;-1.12;;;;;DOPC;MDCG;27;1;"MARTINI bead: SNd_SP2";;;;;;;-0.24;;-6;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM459407;MM459407;CCOC=CCCC1CO1;UZWGOAPACLCTCL-UHFFFAOYSA-N;142.2;1.72;;;;;DOPC;MDCG;27;0;"MARTINI bead: C3_SNa";;;;;;;2.57;;0.45;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM459408;MM459408;NCC1CC1C1(CO)CN1;KTMVFIZZQVIZPK-UHFFFAOYSA-N;142.2;-1.08;;;;;DOPC;MDCG;27;1;"MARTINI bead: SNd_SP2";;;;;;;-0.24;;-5.94;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM459409;MM459409;NCCC=CCCN1CC1;FKBSQEYPNZKGOD-UHFFFAOYSA-N;140.23;0.6;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_SNd";;;;;;;0.87;;-4.88;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM459410;MM459410;CONC(=N)ON(C)C=O;QDIIVGDTFMITRY-UHFFFAOYSA-N;147.13;-0.91;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_P2";;;;;;;-1.34;;-4.31;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM459411;MM459411;O=CCN=CNCC1CC1;FTBSEPBMSQFGTA-UHFFFAOYSA-N;140.19;0.21;;;;;DOPC;MDCG;27;1;"MARTINI bead: P2_SC5";;;;;;;0.54;;-3.16;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM459412;MM459412;CNC1CC1C1(CO)CN1;XWOCBVZROQRQJA-UHFFFAOYSA-N;142.2;-1.07;;;;;DOPC;MDCG;27;1;"MARTINI bead: SNd_SP2";;;;;;;-0.24;;-5.27;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM459413;MM459413;C=NNC(CC#N)C(F)F;ONFRVIDBUDUGHY-UHFFFAOYSA-N;147.13;0.74;;;;;DOPC;MDCG;27;0;"MARTINI bead: N0_Nd";;;;;;;1.17;;-1.04;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM459414;MM459414;CCC1CC1C1(CC)CO1;BGDNJCXEHQZUBY-UHFFFAOYSA-N;140.23;2.21;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC3_SNa";;;;;;;2.57;;0.45;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM459415;MM459415;C=CCN=CNNC1CC1;BLTSLFSACGPKBL-UHFFFAOYSA-N;139.2;0.46;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_SP1";;;;;;;0.04;;-4.11;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM459416;MM459416;CCC1(C2CC2CN)CO1;JICNZRVXUANDLB-UHFFFAOYSA-N;141.21;0.76;;;;;DOPC;MDCG;27;1;"MARTINI bead: SNa_SNd";;;;;;;0.87;;-4.68;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM459417;MM459417;C=CCC=CCCC1CO1;QLCIJEKFVILOCM-UHFFFAOYSA-N;138.21;2.3;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1_SNa";;;;;;;2.91;;0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM459418;MM459418;OCC1CC1C1(CO)CO1;XBAGYDKWFVEWHZ-UHFFFAOYSA-N;144.17;-0.62;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNda_SP2";;;;;;;-0.24;;-3.31;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM459419;MM459419;C=CCC=NNCC1CO1;WJLXDFPEEBLXEU-UHFFFAOYSA-N;140.19;0.54;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nd_SNa";;;;;;;0.87;;-1.88;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM459420;MM459420;CCC1(C2CC2NC)CO1;CFDIILSTXRKEBH-UHFFFAOYSA-N;141.21;0.77;;;;;DOPC;MDCG;27;1;"MARTINI bead: SNa_SNd";;;;;;;0.87;;-4.45;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM459421;MM459421;C#CCC=NNCC1CC1;KLIRFCGALCOWOF-UHFFFAOYSA-N;136.2;1;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nd_SC5";;;;;;;1.64;;0.02;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM459422;MM459422;CNC1CC1C1(CO)CO1;MUUIWCSKFCDDSX-UHFFFAOYSA-N;143.19;-0.64;;;;;DOPC;MDCG;27;1;"MARTINI bead: SNd_SP2";;;;;;;-0.24;;-5.42;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM459423;MM459423;C#CCC=CCNC1CC1;LFWJVPQFLGSTIE-UHFFFAOYSA-N;135.21;1.32;;;;;DOPC;MDCG;27;1;"MARTINI bead: C3_SP1";;;;;;;1.74;;-1.41;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM459424;MM459424;CCC1(C2CC2OC)CO1;TVHYHCPUFLHLKW-UHFFFAOYSA-N;142.2;1.2;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNa_SNa";;;;;;;0.87;;-2.22;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM459425;MM459425;C#CCC=NOCC1CN1;YMXDKIPXEZUTPM-UHFFFAOYSA-N;138.17;-0.02;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_SP1";;;;;;;0.04;;-2.54;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM459426;MM459426;COC1CC1C1(CO)CO1;KOBNRHYIQSXMGV-UHFFFAOYSA-N;144.17;-0.22;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNa_SP2";;;;;;;-0.24;;-3.24;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM459427;MM459427;C#CCC=NOCC1CO1;SURISBHGTKZPTJ-UHFFFAOYSA-N;139.15;0.41;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_SNa";;;;;;;0.87;;-2.22;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM459428;MM459428;CCC1(C2NC2CN)CC1;KDFLOXWENHEIEU-UHFFFAOYSA-N;140.23;0.48;;;;;DOPC;MDCG;27;1;"MARTINI bead: SC3_SP2";;;;;;;1.46;;-1.97;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM459429;MM459429;CC=NN=COCC1CC1;NIWJAVHJYFEFBC-UHFFFAOYSA-N;140.19;1.45;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_SC5";;;;;;;1.64;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM459430;MM459430;CCC1(C2NC2CF)CC1;IOJBDBIXZSFXFP-UHFFFAOYSA-N;143.21;1.49;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC3_SP1";;;;;;;1.74;;0.32;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM459431;MM459431;CC=CC=CCNC1CC1;XWOZNNLWRKSNIF-UHFFFAOYSA-N;137.23;1.87;;;;;DOPC;MDCG;27;1;"MARTINI bead: C1_SP1";;;;;;;2.08;;-0.53;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM459432;MM459432;CCC1NC1C1(CN)CC1;HAIWAMQXWZTIIU-UHFFFAOYSA-N;140.23;0.48;;;;;DOPC;MDCG;27;1;"MARTINI bead: SNd_SNd";;;;;;;0.87;;-4.27;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM459433;MM459433;CC#CC=NNCC1CC1;RFJDMXLZEMRSBX-UHFFFAOYSA-N;136.2;1;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nd_SC5";;;;;;;1.64;;0.02;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM459434;MM459434;NCC1NC1C1(CN)CC1;BADPFFSCRLQQOE-UHFFFAOYSA-N;141.22;-0.98;;;;;DOPC;MDCG;27;1;"MARTINI bead: SP2_SNd";;;;;;;-0.24;;-5.51;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM459435;MM459435;CNCC#CCCC1CC1;YFCMJGVPLBDENN-UHFFFAOYSA-N;137.23;1.4;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_SC5";;;;;;;1.64;;-1.64;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM459436;MM459436;NCC1(C2NC2CO)CC1;HZUXJSFBHYZYAR-UHFFFAOYSA-N;142.2;-0.94;;;;;DOPC;MDCG;27;1;"MARTINI bead: SNd_SP2";;;;;;;-0.24;;-5.31;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM459437;MM459437;CCCC#CCNC1CC1;NFIYUXKGAUYKRF-UHFFFAOYSA-N;137.23;1.54;;;;;DOPC;MDCG;27;1;"MARTINI bead: C1_SP1";;;;;;;2.08;;0.01;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM459438;MM459438;NCC1(C2NC2CF)CC1;ZSAGNWCLLSNZPE-UHFFFAOYSA-N;144.19;0.04;;;;;DOPC;MDCG;27;1;"MARTINI bead: SNd_SP1";;;;;;;0.04;;-4.79;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM459439;MM459439;NCCC#CCNC1CC1;FDYVZQJCLPODLW-UHFFFAOYSA-N;138.21;0.09;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_SP1";;;;;;;0.04;;-5.1;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM459440;MM459440;NCC1NC1C1(CF)CC1;TUIXUXIUROCNJQ-UHFFFAOYSA-N;144.19;0.04;;;;;DOPC;MDCG;27;1;"MARTINI bead: SP2_SC5";;;;;;;0.54;;-3.02;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM459441;MM459441;CCCC#CCOC1CC1;ROKUQGBGAFJNAZ-UHFFFAOYSA-N;138.21;1.97;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1_SP1";;;;;;;2.08;;0.48;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM459442;MM459442;FCC1NC1C1(CF)CC1;FYYCYRIVRAUHGL-UHFFFAOYSA-N;147.17;1.05;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP1_SC5";;;;;;;0.81;;-0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM459443;MM459443;CNCC#CCOC1CC1;GGSBDALGUDXBSG-UHFFFAOYSA-N;139.2;0.39;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_SP1";;;;;;;0.04;;-4.29;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM459444;MM459444;NCCC#CCCC1CN1;DXOGFVSLPBQUKZ-UHFFFAOYSA-N;138.21;0.09;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_SP1";;;;;;;0.04;;-5.08;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM459445;MM459445;CNC1(C2NC2CF)CC1;ZAQRXBWVWGRSMR-UHFFFAOYSA-N;144.19;0.05;;;;;DOPC;MDCG;27;1;"MARTINI bead: SNd_SP1";;;;;;;0.04;;-4.51;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM459446;MM459446;CCC1NC1C1(CN)CN1;ULXJSEHESOXLGH-UHFFFAOYSA-N;141.22;-0.96;;;;;DOPC;MDCG;27;1;"MARTINI bead: SNd_SP2";;;;;;;-0.24;;-4.8;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM459447;MM459447;CNCC#CCCC1CN1;CUFGYTNIDHGXDL-UHFFFAOYSA-N;138.21;-0.04;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_SP1";;;;;;;0.04;;-4.39;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM459448;MM459448;NCC1NC1C1(CN)CN1;ZMZPUGFRZZGRDT-UHFFFAOYSA-N;142.21;-2.41;;;;;DOPC;MDCG;27;1;"MARTINI bead: SP2_SP2";;;;;;;-1.34;;-6.42;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM459449;MM459449;NCCC#CCCN1CC1;DFTJMGQLWUHVNI-UHFFFAOYSA-N;138.21;0.04;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_SP1";;;;;;;0.04;;-5.07;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM459450;MM459450;C=CCC#CCCC1CC1;ZXDQNWJVYDRZIZ-UHFFFAOYSA-N;134.22;2.76;;;;;DOPC;MDCG;27;0;"MARTINI bead: C3_SC5";;;;;;;3.34;;0.48;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM459451;MM459451;C=NN=C(C)C=C(N)C=O;QGLKKGCKSPQEBD-UHFFFAOYSA-N;139.16;0.1;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_P2";;;;;;;0.54;;-1.09;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM459452;MM459452;N#CCC#CCCC1CC1;NFWPVKMWXYLXIR-UHFFFAOYSA-N;133.19;2.09;;;;;DOPC;MDCG;27;0;"MARTINI bead: N0_SC5";;;;;;;1.94;;0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM459453;MM459453;CCC1(C2NC2CF)CO1;IFXVXMUWPICKFI-UHFFFAOYSA-N;145.18;0.48;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNa_SP1";;;;;;;0.04;;-2.54;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM459454;MM459454;C=CCC#CCNC1CC1;QHCKULWGDGQJKJ-UHFFFAOYSA-N;135.21;1.32;;;;;DOPC;MDCG;27;1;"MARTINI bead: C3_SP1";;;;;;;1.74;;-0.83;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM459455;MM459455;NCC1NC1C1(CN)CO1;IAYICQRBWVSFKJ-UHFFFAOYSA-N;143.19;-1.99;;;;;DOPC;MDCG;27;1;"MARTINI bead: SP2_SP2";;;;;;;-1.34;;-6.45;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM459456;MM459456;N#CCC#CCNC1CC1;NDZBLQNEXKKHPY-UHFFFAOYSA-N;134.18;0.66;;;;;DOPC;MDCG;27;1;"MARTINI bead: N0_SP1";;;;;;;0.34;;-2.98;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM459457;MM459457;NCC1(C2NC2CO)CO1;VISOOQMCQHYIEF-UHFFFAOYSA-N;144.17;-1.95;;;;;DOPC;MDCG;27;1;"MARTINI bead: SP2_SP2";;;;;;;-1.34;;-6.01;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM459458;MM459458;NCC1(C2NC2CF)CO1;UQQTYWXOISWQFT-UHFFFAOYSA-N;146.17;-0.98;;;;;DOPC;MDCG;27;1;"MARTINI bead: SP2_SP1";;;;;;;-1.06;;-5.53;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM459459;MM459459;C=CCC#CCOC1CC1;HCMXYSHKHIFFPB-UHFFFAOYSA-N;136.19;1.74;;;;;DOPC;MDCG;27;0;"MARTINI bead: C3_SP1";;;;;;;1.74;;0.29;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM459460;MM459460;N#CCC#CCOC1CC1;ZAIXSOWFSFVWQP-UHFFFAOYSA-N;135.17;1.08;;;;;DOPC;MDCG;27;0;"MARTINI bead: N0_SP1";;;;;;;0.34;;-1.53;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM459461;MM459461;NCC1NC1C1(CO)CO1;RWVNQAKUDODWOQ-UHFFFAOYSA-N;144.17;-1.95;;;;;DOPC;MDCG;27;1;"MARTINI bead: SP2_SP2";;;;;;;-1.34;;-6.25;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM459462;MM459462;C=CCC#CCCC1CO1;INDXZQMBUIIJQD-UHFFFAOYSA-N;136.19;1.74;;;;;DOPC;MDCG;27;0;"MARTINI bead: C3_SNa";;;;;;;2.57;;0.45;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM459463;MM459463;NCC1(C2OC2CO)CC1;RWJWDZZQQKVLKT-UHFFFAOYSA-N;143.19;-0.52;;;;;DOPC;MDCG;27;1;"MARTINI bead: SNd_SP2";;;;;;;-0.24;;-5.56;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM459464;MM459464;N#CCC#CCCC1CO1;GHKFOQGIDLYAMT-UHFFFAOYSA-N;135.17;1.08;;;;;DOPC;MDCG;27;0;"MARTINI bead: N0_SNa";;;;;;;1.17;;-1.18;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM459465;MM459465;NCC1(C2OC2CF)CC1;FDZGYFYXOLRYLL-UHFFFAOYSA-N;145.18;0.46;;;;;DOPC;MDCG;27;1;"MARTINI bead: SNd_SNa";;;;;;;0.87;;-4.3;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM459466;MM459466;OCC1(C2OC2CF)CC1;HVLJUPLELJFGEF-UHFFFAOYSA-N;146.16;0.5;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNda_SNa";;;;;;;0.87;;-1.99;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM459467;MM459467;C=CCC#CCCN1CC1;FTLBUYRTKGPLJN-UHFFFAOYSA-N;135.21;1.27;;;;;DOPC;MDCG;27;0;"MARTINI bead: C3_SP1";;;;;;;1.74;;0.31;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM459468;MM459468;Nc1cn(N)c(=O)nc1F;KOFHUOBYLGLHCE-UHFFFAOYSA-N;144.11;-1.32;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP2_SNda";;;;;;;-0.24;;-3.31;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM459469;MM459469;CNC1(C2OC2CN)CC1;DVPTVTFCZPCDAY-UHFFFAOYSA-N;142.2;-0.54;;;;;DOPC;MDCG;27;1;"MARTINI bead: SNd_SP2";;;;;;;-0.24;;-5.45;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM459470;MM459470;CNC1(C2OC2CO)CC1;ZADXONYIRGTTJR-UHFFFAOYSA-N;143.19;-0.5;;;;;DOPC;MDCG;27;1;"MARTINI bead: SNd_SP2";;;;;;;-0.24;;-4.84;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM459471;MM459471;N#CC1(C#N)CNC(=N)N1;VFCVDCLYINKTOI-UHFFFAOYSA-N;135.13;-1.1;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP2_SP2";;;;;;;-1.34;;-4.31;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM459472;MM459472;C#CCC#CCCC1CC1;MYVCMBYMVPYALG-UHFFFAOYSA-N;132.21;2.2;;;;;DOPC;MDCG;27;0;"MARTINI bead: C3_SC5";;;;;;;3.34;;0.48;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM459473;MM459473;COC1(C2OC2CN)CC1;WSJLBYXYRWGMLF-UHFFFAOYSA-N;143.19;-0.11;;;;;DOPC;MDCG;27;1;"MARTINI bead: SNa_SP2";;;;;;;-0.24;;-5.23;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM459474;MM459474;COC1(C2OC2CO)CC1;VAZNECQKOWACGD-UHFFFAOYSA-N;144.17;-0.07;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNa_SP2";;;;;;;-0.24;;-3.24;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM459475;MM459475;C#CCC#CCNC1CC1;HQBIRWJMYBCQFS-UHFFFAOYSA-N;133.19;0.77;;;;;DOPC;MDCG;27;1;"MARTINI bead: C3_SP1";;;;;;;1.74;;-0.81;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM459476;MM459476;COC1(C2OC2CF)CC1;BYGLTPWRPVKYEG-UHFFFAOYSA-N;146.16;0.9;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNa_SNa";;;;;;;0.87;;-2.22;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM459477;MM459477;C#CCC#CCOC1CC1;QAVLAALSWUPVJR-UHFFFAOYSA-N;134.18;1.19;;;;;DOPC;MDCG;27;0;"MARTINI bead: C3_SP1";;;;;;;1.74;;0.29;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM459478;MM459478;NCC1(C2OC2CF)CN1;LTPUALYRGWEOGX-UHFFFAOYSA-N;146.17;-0.98;;;;;DOPC;MDCG;27;1;"MARTINI bead: SP2_SNa";;;;;;;-0.24;;-5.14;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM459479;MM459479;C#CCC#CCCC1CO1;VDJWBCXZCGIKEJ-UHFFFAOYSA-N;134.18;1.19;;;;;DOPC;MDCG;27;0;"MARTINI bead: C3_SNa";;;;;;;2.57;;0.45;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM459480;MM459480;CCC1(C2OC2CN)CO1;IUHFMODCZWUHRH-UHFFFAOYSA-N;143.19;-0.11;;;;;DOPC;MDCG;27;1;"MARTINI bead: SNa_SP2";;;;;;;-0.24;;-5.23;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM459481;MM459481;C#CCC#CCCN1CC1;PIJAMEJAJVIYSY-UHFFFAOYSA-N;133.19;0.72;;;;;DOPC;MDCG;27;0;"MARTINI bead: C3_SP1";;;;;;;1.74;;0.31;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM459482;MM459482;CCC1(C2OC2CO)CO1;DFLYBFYXAAMSSL-UHFFFAOYSA-N;144.17;-0.07;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNa_SP2";;;;;;;-0.24;;-3.24;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM459483;MM459483;CC=CC#CCCC1CC1;MEOLZUYNEYTJHL-UHFFFAOYSA-N;134.22;2.76;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1_SC5";;;;;;;3.68;;0.46;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM459484;MM459484;CC=CC#CCNC1CC1;DNYVLOWAPYVLLW-UHFFFAOYSA-N;135.21;1.32;;;;;DOPC;MDCG;27;1;"MARTINI bead: C1_SP1";;;;;;;2.08;;0.07;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM459485;MM459485;CCC1(C2OC2CF)CO1;DFXFWKPTBSVEJA-UHFFFAOYSA-N;146.16;0.9;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNa_SNa";;;;;;;0.87;;-2.22;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM459486;MM459486;CCN1CC1C1(CN)CC1;FULLAKILRAFCIA-UHFFFAOYSA-N;140.23;0.43;;;;;DOPC;MDCG;27;1;"MARTINI bead: SNd_SNd";;;;;;;0.87;;-4.27;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM459487;MM459487;CC=CC#CCOC1CC1;LZMSWKDOLREOGJ-UHFFFAOYSA-N;136.19;1.74;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1_SP1";;;;;;;2.08;;0.48;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM459488;MM459488;CCN1CC1C1(CN)CN1;BHAVSIIKCSDUOW-UHFFFAOYSA-N;141.22;-1.01;;;;;DOPC;MDCG;27;1;"MARTINI bead: SNd_SP2";;;;;;;-0.24;;-4.8;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM459489;MM459489;NN=CC#CCOC1CC1;UHIBLLRTYHIPMM-UHFFFAOYSA-N;138.17;0.11;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nd_SP1";;;;;;;0.04;;-2.63;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM459490;MM459490;CCN1CC1C1(CF)CN1;VQZHDEMFFPEIRG-UHFFFAOYSA-N;144.19;;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNd_SP1";;;;;;;0.04;;-2.63;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM459491;MM459491;CC=CC#CCCC1CO1;CDOMYFBOJLPNRI-UHFFFAOYSA-N;136.19;1.74;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1_SNa";;;;;;;2.91;;0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM459492;MM459492;CCN1CC1C1(CC)CO1;FSXCHIPBFJMXOR-UHFFFAOYSA-N;141.21;0.87;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNd_SNa";;;;;;;0.87;;-1.88;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM459493;MM459493;CC=CC#CCCN1CC1;DCGHXBQXOYJKDG-UHFFFAOYSA-N;135.21;1.27;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1_SP1";;;;;;;2.08;;0.5;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM459494;MM459494;C=C(C)OCON=CNN;JWZWZUOBEDYDMD-UHFFFAOYSA-N;145.16;-0.08;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_P4";;;;;;;-0.41;;-2.78;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM459495;MM459495;NN=CC#CCCN1CC1;TYDNPMOOBDJGNH-UHFFFAOYSA-N;137.19;-0.36;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nd_SP1";;;;;;;0.04;;-2.63;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM459496;MM459496;CCC1CN1C1(CN)CC1;YFDKRUQRCXIZKA-UHFFFAOYSA-N;140.23;0.57;;;;;DOPC;MDCG;27;1;"MARTINI bead: SP1_SP2";;;;;;;-1.06;;-5.84;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM459497;MM459497;CC#CC#CCCC1CC1;WWIQFPZEDPOYNX-UHFFFAOYSA-N;132.21;2.2;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1_SC5";;;;;;;3.68;;0.46;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM459498;MM459498;NCC1CN1C1(CN)CC1;IZQFQARIFFOQSQ-UHFFFAOYSA-N;141.22;-0.88;;;;;DOPC;MDCG;27;1;"MARTINI bead: SP2_SP2";;;;;;;-1.34;;-6.59;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM459499;MM459499;CC#CC#CCNC1CC1;JNXULSGKIUAYOS-UHFFFAOYSA-N;133.19;0.77;;;;;DOPC;MDCG;27;1;"MARTINI bead: C1_SP1";;;;;;;2.08;;0.25;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM459500;MM459500;NCC1(N2CC2CF)CC1;RUBNOSJYURFBRW-UHFFFAOYSA-N;144.19;0.13;;;;;DOPC;MDCG;27;1;"MARTINI bead: SP2_SP1";;;;;;;-1.06;;-5.84;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM459501;MM459501;CC#CC#CCOC1CC1;IUFJJEYUECNYCJ-UHFFFAOYSA-N;134.18;1.19;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1_SP1";;;;;;;2.08;;0.48;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM459502;MM459502;NCC1CN1C1(CO)CC1;VBFAHDFQHZDKGI-UHFFFAOYSA-N;142.2;-0.85;;;;;DOPC;MDCG;27;1;"MARTINI bead: SP2_SP2";;;;;;;-1.34;;-6.25;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM459503;MM459503;CC#CC#CCCC1CO1;SWIXYMKFQPGVLT-UHFFFAOYSA-N;134.18;1.19;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1_SNa";;;;;;;2.91;;0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM459504;MM459504;C=CCC#CC(F)C=NN;VOMWCGAOWIABLH-UHFFFAOYSA-N;140.16;0.85;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_C4";;;;;;;1.37;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM459505;MM459505;CC#CC#CCCN1CC1;KSXHBRCVJIJTDG-UHFFFAOYSA-N;133.19;0.72;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1_SP1";;;;;;;2.08;;0.49;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM459506;MM459506;C#CCNN=C(C)C#CC;BWDHOYVZZWYHRS-UHFFFAOYSA-N;134.18;0.61;;;;;DOPC;MDCG;27;0;"MARTINI bead: N0_Nd";;;;;;;1.17;;-1.04;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM459507;MM459507;NCCCC=CCC1CC1;RFDGFDHYCULIJO-UHFFFAOYSA-N;139.24;2.08;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_SC5";;;;;;;1.64;;-2.69;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM459508;MM459508;CCC1CN1C1(CF)CC1;QNSGISYCIWYWEU-UHFFFAOYSA-N;143.21;1.58;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP1_SP1";;;;;;;-0.79;;-3.13;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM459509;MM459509;CNCCC=CCC1CC1;AJEXOLGKWVDJGS-UHFFFAOYSA-N;139.24;1.95;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_SC3";;;;;;;2.57;;-1.77;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM459510;MM459510;NCC1CN1C1(CF)CC1;RPULMBBUHGFCRQ-UHFFFAOYSA-N;144.19;0.13;;;;;DOPC;MDCG;27;1;"MARTINI bead: SP2_SP1";;;;;;;-1.06;;-5.76;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM459511;MM459511;CCOCC=CCC1CC1;QJWCEWJXOPICPB-UHFFFAOYSA-N;140.23;2.38;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_SC3";;;;;;;3.34;;0.48;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM459512;MM459512;C=CC1CC1C1(CC)CC1;AUOYZNZCXOZXHG-UHFFFAOYSA-N;136.24;3;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC3_SC4";;;;;;;3.9;;0.47;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM459513;MM459513;C=CC1(C#N)COC(=N)N1;YTFFCFNOKRDMJK-UHFFFAOYSA-N;137.14;-0.01;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP1_SP2";;;;;;;-1.06;;-3.82;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM459514;MM459514;CCC1(C2CC2C=O)CC1;ZBAOCHOSBUITAZ-UHFFFAOYSA-N;138.21;2.01;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC3_SNa";;;;;;;2.57;;0.45;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM459515;MM459515;CCCCC=CCC1CO1;NXIAPAUFKBGFJN-UHFFFAOYSA-N;140.23;2.52;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1_SNa";;;;;;;2.91;;0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM459516;MM459516;CCC1(C2CC2C#N)CC1;KUWVKTGOVVOMRG-UHFFFAOYSA-N;135.21;2.34;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC3_SN0";;;;;;;2.87;;0.37;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM459517;MM459517;CCCON=CCC1CO1;JGKJFVMYJDJXKT-UHFFFAOYSA-N;143.19;1.19;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_SNa";;;;;;;1.64;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM459518;MM459518;C=NN=CC=C(N)OC=O;OZTUHXXSBFKDIZ-UHFFFAOYSA-N;141.13;-0.35;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_N0";;;;;;;0.34;;-1.53;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM459519;MM459519;CNCCC=CCN1CC1;CAUKCZRMKFJOMH-UHFFFAOYSA-N;140.23;0.47;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_SNd";;;;;;;0.87;;-5.17;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM459520;MM459520;N#CC1CC1C1(CF)CC1;MFSITQSMGLEMSZ-UHFFFAOYSA-N;139.17;1.9;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC5_SN0";;;;;;;1.94;;0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM459521;MM459521;C=CCCC=CCC1CC1;GWUDQJHPUJXCEH-UHFFFAOYSA-N;136.24;3.31;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1_SC3";;;;;;;4.61;;0.31;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM459522;MM459522;CNC1(C2CC2C#N)CC1;NKTJZRZPXXQCPR-UHFFFAOYSA-N;136.2;0.9;;;;;DOPC;MDCG;27;1;"MARTINI bead: SNd_SN0";;;;;;;1.17;;-2.99;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM459523;MM459523;O=CCOC=CCC1CC1;RDLOKVVOVXWBES-UHFFFAOYSA-N;140.18;1.52;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_SC5";;;;;;;1.64;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM459524;MM459524;C=CC1CC1C1(CN)CN1;WVKMLQCYDAPYJT-UHFFFAOYSA-N;138.21;0.11;;;;;DOPC;MDCG;27;1;"MARTINI bead: SP2_SC4";;;;;;;1.09;;-2.32;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM459525;MM459525;N#CCOC=CCC1CC1;USQDKOCJMXLHMO-UHFFFAOYSA-N;137.18;1.84;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_SC5";;;;;;;1.64;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM459526;MM459526;N#CC1CC1C1(CF)CN1;OHTIFZFKHGRWGV-UHFFFAOYSA-N;140.16;0.46;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP1_SN0";;;;;;;0.34;;-1.53;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM459527;MM459527;C=CCON=CCC1CC1;CBWSVVJSNOWACL-UHFFFAOYSA-N;139.2;1.97;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_SC5";;;;;;;2.41;;0.64;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM459528;MM459528;C=CC1CC1C1(CC)CO1;GREOOSLZPUIQKR-UHFFFAOYSA-N;138.21;1.99;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNa_SC4";;;;;;;2.2;;0.34;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM459529;MM459529;C=CCCN=CNC1CC1;QUGLXFCWXOKGMM-UHFFFAOYSA-N;138.21;1.34;;;;;DOPC;MDCG;27;1;"MARTINI bead: C4_SP1";;;;;;;1.37;;-3.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM459530;MM459530;N#CC1CC1C1(CO)CO1;GAVVHBARVPDOJU-UHFFFAOYSA-N;139.15;-0.09;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP2_SN0";;;;;;;0.06;;-2.21;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM459531;MM459531;C=CCCC=CCN1CC1;BCKPEGONSQSNMS-UHFFFAOYSA-N;137.23;1.82;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1_SP1";;;;;;;2.08;;0.5;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM459532;MM459532;C=CC1NC1C1(NC)CC1;OYYLMEIPPKUDCF-UHFFFAOYSA-N;138.21;0.26;;;;;DOPC;MDCG;27;1;"MARTINI bead: SNd_SP1";;;;;;;0.04;;-4.55;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM459533;MM459533;N#CCCC=CCN1CC1;YHWFZVJXCRHMQY-UHFFFAOYSA-N;136.2;1.16;;;;;DOPC;MDCG;27;0;"MARTINI bead: N0_SP1";;;;;;;0.34;;-1.53;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM459534;MM459534;C=CC1NC1C1(CN)CN1;UPSLEVOCVQAZRP-UHFFFAOYSA-N;139.2;-1.19;;;;;DOPC;MDCG;27;1;"MARTINI bead: SP2_SP1";;;;;;;-1.06;;-5.47;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM459535;MM459535;C=CCON=CCN1CC1;NTERIZZNDJORAX-UHFFFAOYSA-N;140.19;0.49;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_SP1";;;;;;;0.81;;-0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM459536;MM459536;C=C(C(C)=O)N(C=O)NC;NMWDPDUQTWJQBK-UHFFFAOYSA-N;142.16;-0.32;;;;;DOPC;MDCG;27;0;"MARTINI bead: P3_Na";;;;;;;-1.1;;-4.2;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM459537;MM459537;C#CCOC=CCC1CC1;KXZHWQKJKRXFQY-UHFFFAOYSA-N;136.19;1.95;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_SC5";;;;;;;1.64;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM459538;MM459538;C=CC1NC1C1(CN)CO1;OSWRVTWCPLCNID-UHFFFAOYSA-N;140.19;-0.76;;;;;DOPC;MDCG;27;1;"MARTINI bead: SP2_SP1";;;;;;;-1.06;;-5.53;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM459539;MM459539;C#CCNN=CCC1CC1;MZSMKTNITDGSDP-UHFFFAOYSA-N;136.2;1;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_SC5";;;;;;;0.81;;-0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM459540;MM459540;C=CC1OC1C1(CO)CC1;SVZAUQDGJBRLPA-UHFFFAOYSA-N;140.18;0.71;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNda_SNa";;;;;;;0.87;;-1.99;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM459541;MM459541;CC=CCC=CCC1CC1;QZTJNTPCRUVUPX-UHFFFAOYSA-N;136.24;3.31;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1_SC3";;;;;;;4.61;;0.31;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM459542;MM459542;O=CC1OC1C1(CO)CC1;SPJULGDYSGWAJY-UHFFFAOYSA-N;142.15;-0.27;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNda_SP2";;;;;;;-0.24;;-3.31;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM459543;MM459543;CC=COC=CCC1CC1;RNIMFJUNNLDYLD-UHFFFAOYSA-N;138.21;2.85;;;;;DOPC;MDCG;27;0;"MARTINI bead: C3_SC5";;;;;;;3.34;;0.48;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM459544;MM459544;CNC1(C2OC2C=O)CC1;DKGROLIIXVQBEB-UHFFFAOYSA-N;141.17;-0.3;;;;;DOPC;MDCG;27;1;"MARTINI bead: SNd_SP2";;;;;;;-0.24;;-4.87;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM459545;MM459545;CC=CCC=CCC1CO1;IMSCWOPIYFHHAT-UHFFFAOYSA-N;138.21;2.3;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1_SNa";;;;;;;2.91;;0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM459546;MM459546;C=CC1OC1C1(OC)CC1;FICQOPJIBBYVPK-UHFFFAOYSA-N;140.18;1.12;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNa_SNa";;;;;;;0.87;;-2.22;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM459547;MM459547;CC#CCC=CCC1CO1;FAKXCTDJYGVIQW-UHFFFAOYSA-N;136.19;1.74;;;;;DOPC;MDCG;27;0;"MARTINI bead: C3_SNa";;;;;;;2.57;;0.45;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM459548;MM459548;COC1(C2OC2C=O)CC1;PIMCVLXTJWEATO-UHFFFAOYSA-N;142.15;0.13;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNa_SP2";;;;;;;-0.24;;-3.24;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM459549;MM459549;CC#CCC=CCN1CC1;GTZLRCKVHYTAFF-UHFFFAOYSA-N;135.21;1.27;;;;;DOPC;MDCG;27;0;"MARTINI bead: C3_SP1";;;;;;;1.74;;0.3;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM459550;MM459550;COC1(C2OC2C#N)CC1;ZXIAYVBECHGYJY-UHFFFAOYSA-N;139.15;0.46;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNa_SP1";;;;;;;0.04;;-2.54;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM459551;MM459551;CCC=CC=CCC1CC1;RCCPCVUTQDDIHH-UHFFFAOYSA-N;136.24;3.31;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1_SC5";;;;;;;3.68;;0.46;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM459552;MM459552;C=CC1OC1C1(CN)CN1;HIHFIQAHBODSAP-UHFFFAOYSA-N;140.19;-0.76;;;;;DOPC;MDCG;27;1;"MARTINI bead: SP2_SNa";;;;;;;-0.24;;-5.14;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM459553;MM459553;COC=NN=CCC1CC1;GVCRWBZXIYZRHM-UHFFFAOYSA-N;140.19;1.45;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_SC5";;;;;;;1.64;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM459554;MM459554;C=CC1OC1C1(CC)CO1;ICXUBLYYFZHPOQ-UHFFFAOYSA-N;140.18;1.12;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNa_SNa";;;;;;;0.87;;-2.22;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM459555;MM459555;CCC=CC=COC1CC1;AJWQHTUFXVEMNZ-UHFFFAOYSA-N;138.21;2.65;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1_SP1";;;;;;;2.08;;0.48;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM459556;MM459556;CCC1(C2OC2C=O)CO1;IDBFZASQYPWNJY-UHFFFAOYSA-N;142.15;0.13;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNa_SP2";;;;;;;-0.24;;-3.24;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM459557;MM459557;NCC=CC=CCC1CN1;KYANTNJZECDZST-UHFFFAOYSA-N;138.21;0.42;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_SP1";;;;;;;0.04;;-4.87;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM459558;MM459558;CCC1(C2CN2C=N)CC1;QTUWVHOIRGTFMH-UHFFFAOYSA-N;138.21;1.47;;;;;DOPC;MDCG;27;1;"MARTINI bead: SC3_SP2";;;;;;;1.46;;-3.13;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM459559;MM459559;CCC=CC=CCC1CO1;ZYUXIPLSAAOEDS-UHFFFAOYSA-N;138.21;2.3;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1_SNa";;;;;;;2.91;;0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM459560;MM459560;CCC1(C2CN2C=O)CC1;ZGTRSRKAADQLNG-UHFFFAOYSA-N;139.2;1.02;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC3_SP2";;;;;;;1.46;;-0.15;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM459561;MM459561;CCC=CC=CCN1CC1;NCYJONCNEWWQRK-UHFFFAOYSA-N;137.23;1.82;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1_SP1";;;;;;;2.08;;0.5;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM459562;MM459562;N=CN1CC1C1(CN)CC1;DIJMACDRFUJHDO-UHFFFAOYSA-N;139.2;0.02;;;;;DOPC;MDCG;27;1;"MARTINI bead: SNd_SP2";;;;;;;-0.24;;-6.26;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM459563;MM459563;C=CN(N)C(=O)C(C)=CN;QRBPWGZCGFTWQA-UHFFFAOYSA-N;141.17;-0.31;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nd_P2";;;;;;;-0.24;;-3.16;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM459564;MM459564;NCC1(C2CN2C=O)CC1;YCUYEYONOOTDNQ-UHFFFAOYSA-N;140.19;-0.43;;;;;DOPC;MDCG;27;1;"MARTINI bead: SNd_SP2";;;;;;;-0.24;;-5.21;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM459565;MM459565;N#CC=CC=CCC1CC1;HLFGDVMYMGBBJZ-UHFFFAOYSA-N;133.19;2.42;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_SC5";;;;;;;2.41;;0.64;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM459566;MM459566;N=CN1CC1C1(CO)CC1;NNBUWUJXFPPOGG-UHFFFAOYSA-N;140.19;0.05;;;;;DOPC;MDCG;27;1;"MARTINI bead: SNda_SP2";;;;;;;-0.24;;-6.36;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM459567;MM459567;N#CC=CN=CNC1CC1;WPGUEFHRDILBGO-UHFFFAOYSA-N;135.17;0.8;;;;;DOPC;MDCG;27;1;"MARTINI bead: N0_SP1";;;;;;;0.34;;-3.55;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM459568;MM459568;O=CN1CC1C1(CO)CC1;VWGOVVJFUDQPRL-UHFFFAOYSA-N;141.17;-0.4;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNda_SP2";;;;;;;-0.24;;-3.31;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM459569;MM459569;CC(=CN)C(=O)N(N)C=N;PAMGVFRRBZZEGH-UHFFFAOYSA-N;142.16;-0.84;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nd_P4";;;;;;;-1.19;;-4.91;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM459570;MM459570;N=CN1CC1C1(CF)CC1;YDVJZUJKHJAYTH-UHFFFAOYSA-N;142.18;1.03;;;;;DOPC;MDCG;27;1;"MARTINI bead: SC5_SP2";;;;;;;0.54;;-4.15;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM459571;MM459571;C=CC=CC=COC1CC1;WBBKDUVSGXIDGW-UHFFFAOYSA-N;136.19;2.42;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1_SNa";;;;;;;2.91;;0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM459572;MM459572;O=CN1CC1C1(CF)CC1;HCMVNXFFZSPYKB-UHFFFAOYSA-N;143.16;0.58;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC5_SP2";;;;;;;0.54;;-1.09;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM459573;MM459573;N#CC=CC=COC1CC1;TTZQEYJGMRFGTH-UHFFFAOYSA-N;135.17;1.76;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_SP1";;;;;;;0.81;;-0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM459574;MM459574;C=NN1CC1C1(CC)CC1;DIFKFDUWEWUKIH-UHFFFAOYSA-N;138.21;1.48;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC3_SP2";;;;;;;1.46;;-0.15;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM459575;MM459575;O=CC=CC=CCC1CO1;IDMPBPLWPVEOKZ-UHFFFAOYSA-N;138.17;1.09;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_SNa";;;;;;;0.87;;-2.22;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM459576;MM459576;C=NN1CC1C1(CN)CC1;ZCLXOPKPDXGAES-UHFFFAOYSA-N;139.2;0.03;;;;;DOPC;MDCG;27;1;"MARTINI bead: SNd_SP2";;;;;;;-0.24;;-5.3;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM459577;MM459577;N#CC=CC=CCC1CO1;OXDBCVNYROTRFC-UHFFFAOYSA-N;135.17;1.41;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_SNa";;;;;;;1.64;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM459578;MM459578;CCC1(C)CC(C#N)=NN1;PBCFQXOAWRXVJD-UHFFFAOYSA-N;137.19;1.03;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNd_SP1";;;;;;;0.04;;-2.63;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM459579;MM459579;N#CC=CC=CCN1CC1;YXFCIBUOUNNZGS-UHFFFAOYSA-N;134.18;0.94;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_SP1";;;;;;;0.81;;-0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM459580;MM459580;O=CC=NN=CCN1CC1;JJONYAHPSOTEJG-UHFFFAOYSA-N;139.16;-0.44;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_SP1";;;;;;;0.04;;-2.54;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM459581;MM459581;C=NN1CC1C1(CF)CC1;CSMBHGIUHKKDCF-UHFFFAOYSA-N;142.18;1.04;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC5_SP2";;;;;;;0.54;;-1.09;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM459582;MM459582;CNC1(C2CN2C=N)CC1;NAXSEJPTEFIVAK-UHFFFAOYSA-N;139.2;0.03;;;;;DOPC;MDCG;27;1;"MARTINI bead: SNd_SP2";;;;;;;-0.24;;-5.96;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM459583;MM459583;C=NNCC(=O)OCCC;BQHRSEZUMHORCR-UHFFFAOYSA-N;144.17;0.14;;;;;DOPC;MDCG;27;0;"MARTINI bead: C3_P4";;;;;;;0.52;;-1.59;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM459584;MM459584;CNC1(C2CN2C=O)CC1;HKMIGLWMCUHZMG-UHFFFAOYSA-N;140.19;-0.42;;;;;DOPC;MDCG;27;1;"MARTINI bead: SNd_SP2";;;;;;;-0.24;;-5.07;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM459585;MM459585;C#CC=CC=COC1CC1;LGGDNYBRCHVCHU-UHFFFAOYSA-N;134.18;1.87;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4_SP1";;;;;;;1.37;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM459586;MM459586;C=NN1CC1C1(NC)CC1;MYSXMFYKBOKQBT-UHFFFAOYSA-N;139.2;0.04;;;;;DOPC;MDCG;27;1;"MARTINI bead: SNd_SP2";;;;;;;-0.24;;-4.58;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM459587;MM459587;C#CC=NN=COC1CC1;FLXRGVNNLSHHLB-UHFFFAOYSA-N;136.15;0.81;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_SP1";;;;;;;0.81;;-0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM459588;MM459588;COC1(C2CN2C=N)CC1;FHTDVZPMRLXRAM-UHFFFAOYSA-N;140.19;0.46;;;;;DOPC;MDCG;27;1;"MARTINI bead: SNa_SP2";;;;;;;-0.24;;-5.75;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM459589;MM459589;C#CC=CC=CCN1CC1;BWAMNCKCBCWMBP-UHFFFAOYSA-N;133.19;1.05;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4_SNd";;;;;;;2.2;;0.33;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM459590;MM459590;COC1(C2CN2C=O)CC1;IEJYAAGDDVUPAY-UHFFFAOYSA-N;141.17;0.01;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNa_SP2";;;;;;;-0.24;;-3.24;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM459591;MM459591;CCC#CC=CCC1CC1;IHOWYLZGJQIZKY-UHFFFAOYSA-N;134.22;2.76;;;;;DOPC;MDCG;27;0;"MARTINI bead: C2_SC5";;;;;;;3.6;;0.34;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM459592;MM459592;C=NN1CC1C1(OC)CC1;WCRWNUMCDZZMCK-UHFFFAOYSA-N;140.19;0.47;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNa_SP2";;;;;;;-0.24;;-3.24;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM459593;MM459593;NCC#CC=CCC1CC1;VEJCVOGGQDCWHR-UHFFFAOYSA-N;135.21;1.3;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_SC5";;;;;;;1.64;;-1.26;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM459594;MM459594;CCC1(C2CN2C=N)CN1;POWXCNGCLKOCFR-UHFFFAOYSA-N;139.2;0.03;;;;;DOPC;MDCG;27;1;"MARTINI bead: SNd_SP2";;;;;;;-0.24;;-5.92;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM459595;MM459595;NCC#CC=CCC1CN1;BLKLHEASTISZQP-UHFFFAOYSA-N;136.2;-0.13;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_SP1";;;;;;;0.04;;-4.04;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM459596;MM459596;N=CN1CC1C1(CN)CN1;DNKKOAUNISKLEG-UHFFFAOYSA-N;140.19;-1.42;;;;;DOPC;MDCG;27;1;"MARTINI bead: SP2_SP2";;;;;;;-1.34;;-7.05;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM459597;MM459597;CCC#CC=CCC1CO1;ZZAQFUGVNATQBT-UHFFFAOYSA-N;136.19;1.74;;;;;DOPC;MDCG;27;0;"MARTINI bead: C2_SNa";;;;;;;2.83;;0.35;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM459598;MM459598;NCC1(C2CN2C=O)CN1;FRFAKVSGLZWWTO-UHFFFAOYSA-N;141.17;-1.87;;;;;DOPC;MDCG;27;1;"MARTINI bead: SP2_SP2";;;;;;;-1.34;;-5.86;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM459599;MM459599;CCC#CC=CCN1CC1;NEXYYPOIEIQCQM-UHFFFAOYSA-N;135.21;1.27;;;;;DOPC;MDCG;27;0;"MARTINI bead: C2_SP1";;;;;;;2;;0.31;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM459600;MM459600;N=CN1CC1C1(CO)CN1;IFYUJWUHMGUPBV-UHFFFAOYSA-N;141.17;-1.39;;;;;DOPC;MDCG;27;1;"MARTINI bead: SP2_SP2";;;;;;;-1.34;;-7.03;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM459601;MM459601;NCC#CC=CCN1CC1;VRXNXBHRUUCACN-UHFFFAOYSA-N;136.2;-0.18;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_SNd";;;;;;;0.87;;-3.47;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM459602;MM459602;C#CC1(C=C)ONC(=N)O1;RFCHRTCRHRZDEL-UHFFFAOYSA-N;138.13;-0.01;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP1_SP2";;;;;;;-1.06;;-3.82;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM459603;MM459603;C=CC#CC=CCC1CC1;KWUBSIYXIOBCMH-UHFFFAOYSA-N;132.21;2.53;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4_SC5";;;;;;;2.97;;0.45;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM459604;MM459604;N#CC#CC=CCC1CC1;LLJXMZCBACIBAG-UHFFFAOYSA-N;131.18;1.87;;;;;DOPC;MDCG;27;0;"MARTINI bead: N0_SC5";;;;;;;1.94;;0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM459605;MM459605;N=CN1CC1C1(CF)CN1;BCZAQJXCWMZKKJ-UHFFFAOYSA-N;143.17;-0.41;;;;;DOPC;MDCG;27;1;"MARTINI bead: SP1_SP2";;;;;;;-1.06;;-6.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM459606;MM459606;N#CC#CC=COC1CC1;WQNYQFQOPJCNQA-UHFFFAOYSA-N;133.15;1.21;;;;;DOPC;MDCG;27;0;"MARTINI bead: N0_SP1";;;;;;;0.34;;-1.53;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM459607;MM459607;O=CN1CC1C1(CF)CN1;TUEFZPGXKADPET-UHFFFAOYSA-N;144.15;-0.86;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP1_SP2";;;;;;;-1.06;;-3.82;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM459608;MM459608;N#CC#CC=NOC1CC1;OGCNLUQUHOIOTB-UHFFFAOYSA-N;134.14;0.68;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_SP1";;;;;;;-0.79;;-3.13;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM459609;MM459609;C=NN1CC1C1(CN)CN1;IXZPGOUQKWBRDM-UHFFFAOYSA-N;140.19;-1.41;;;;;DOPC;MDCG;27;1;"MARTINI bead: SP2_SP2";;;;;;;-1.34;;-5.95;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM459610;MM459610;C=CC#CC=CCC1CO1;OUQPGUPCSQZYGL-UHFFFAOYSA-N;134.18;1.52;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4_SNa";;;;;;;2.2;;0.34;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM459611;MM459611;C#CC#CC(C)NN=CC;QHAHAPHLNONCBO-UHFFFAOYSA-N;134.18;0.61;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nd_N0";;;;;;;1.17;;-1.04;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM459612;MM459612;N#CC#CC=CCC1CO1;VGUGLOZCWHKHIW-UHFFFAOYSA-N;133.15;0.86;;;;;DOPC;MDCG;27;0;"MARTINI bead: N0_SNa";;;;;;;1.17;;-1.18;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM459613;MM459613;C=NN1CC1C1(CF)CN1;LYGHVTLZTXWCFZ-UHFFFAOYSA-N;143.17;-0.4;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP1_SP2";;;;;;;-1.06;;-3.82;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM459614;MM459614;C=CC#CC=CCN1CC1;YPXAPMZPCMEBBI-UHFFFAOYSA-N;133.19;1.05;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4_SNd";;;;;;;2.2;;0.32;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM459615;MM459615;CCC1(C2CN2C=N)CO1;YMAFZLFLJOZATM-UHFFFAOYSA-N;140.19;0.46;;;;;DOPC;MDCG;27;1;"MARTINI bead: SNa_SP2";;;;;;;-0.24;;-5.7;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM459616;MM459616;CCC1(C2CN2C=O)CO1;LBFXMOQPKLGNIR-UHFFFAOYSA-N;141.17;0.01;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNa_SP2";;;;;;;-0.24;;-3.24;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM459617;MM459617;N#CC#CC=CCN1CC1;ODLHUMKFNRLMDN-UHFFFAOYSA-N;132.17;0.39;;;;;DOPC;MDCG;27;0;"MARTINI bead: N0_SNd";;;;;;;1.17;;-1.04;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM459618;MM459618;N=CN1CC1C1(CN)CO1;DSGNSGMUNPDOSY-UHFFFAOYSA-N;141.17;-0.99;;;;;DOPC;MDCG;27;1;"MARTINI bead: SP2_SP2";;;;;;;-1.34;;-6.76;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM459619;MM459619;C#CC#CC=CCC1CC1;NMZYRCIZHIKRLI-UHFFFAOYSA-N;130.19;1.98;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4_SC5";;;;;;;2.97;;0.45;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM459620;MM459620;NCC1(C2CN2C=O)CO1;TWWITBZIPUGXGL-UHFFFAOYSA-N;142.16;-1.45;;;;;DOPC;MDCG;27;1;"MARTINI bead: SP2_SP2";;;;;;;-1.34;;-5.91;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM459621;MM459621;C#CC#CC=NNC1CC1;FCXMCYRECZBLQY-UHFFFAOYSA-N;132.17;0.36;;;;;DOPC;MDCG;27;0;"MARTINI bead: N0_SP1";;;;;;;0.34;;-1.53;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM459622;MM459622;C=NN1CC1C1(CC)CO1;YWRXYQWTJRZIDQ-UHFFFAOYSA-N;140.19;0.47;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNa_SP2";;;;;;;-0.24;;-3.24;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM459623;MM459623;C#CC#CC=COC1CC1;RTRYPAWBYLTGJZ-UHFFFAOYSA-N;132.16;1.32;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4_SP1";;;;;;;1.37;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM459624;MM459624;C=NN1CC1C1(CN)CO1;IXNLQXUAPCHROY-UHFFFAOYSA-N;141.17;-0.99;;;;;DOPC;MDCG;27;1;"MARTINI bead: SP2_SP2";;;;;;;-1.34;;-6.01;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM459625;MM459625;C#CC#CC=NOC1CC1;QZEUSFBTWQOWIT-UHFFFAOYSA-N;133.15;0.79;;;;;DOPC;MDCG;27;0;"MARTINI bead: N0_SP1";;;;;;;0.34;;-1.53;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM459626;MM459626;C=CC=CC(F)C=NN=C;CIRAFIGLKUGKOW-UHFFFAOYSA-N;140.16;1.75;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4_Na";;;;;;;2.2;;0.34;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM459627;MM459627;C#CC#CC=CCC1CO1;OHMXOAVULVJTEN-UHFFFAOYSA-N;132.16;0.97;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4_SNa";;;;;;;2.2;;0.34;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM459628;MM459628;C=COC=C(F)CNN=C;GLDAZVMLTGHIQZ-UHFFFAOYSA-N;144.15;1.16;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_C5";;;;;;;0.54;;-1.09;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM459629;MM459629;C#CC#CC=CCN1CC1;OQYAVTGDHGJOMQ-UHFFFAOYSA-N;131.18;0.49;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4_SP1";;;;;;;1.37;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM459630;MM459630;C=C(N=CNOC=O)OC;FAICLRRGAYEAMI-UHFFFAOYSA-N;144.13;-0.19;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_P2";;;;;;;-0.24;;-3.24;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM459631;MM459631;CCCCC#CCC1CC1;BYGBWSUEBVLRBO-UHFFFAOYSA-N;136.24;2.98;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1_SC5";;;;;;;3.68;;0.46;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM459632;MM459632;C#CC1CC1C1(CC)CC1;GWAODSXSUXXHTA-UHFFFAOYSA-N;134.22;2.45;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC3_SC5";;;;;;;3.34;;0.48;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM459633;MM459633;C#CCCC#CCC1CO1;DOJIEFFIKKEAGM-UHFFFAOYSA-N;134.18;1.19;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_SNa";;;;;;;1.64;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM459634;MM459634;C#CC1CC1C1(CN)CC1;HLUVBNPWKPCCTR-UHFFFAOYSA-N;135.21;0.99;;;;;DOPC;MDCG;27;1;"MARTINI bead: SNd_SC5";;;;;;;1.64;;-2.39;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM459635;MM459635;C#CCCC#CCN1CC1;CVVKQDFPSNVGPF-UHFFFAOYSA-N;133.19;0.72;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_SP1";;;;;;;0.81;;-0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM459636;MM459636;C#CC1CC1C1(NC)CC1;STFJCYXDBFAYTB-UHFFFAOYSA-N;135.21;1.01;;;;;DOPC;MDCG;27;1;"MARTINI bead: SNd_SC5";;;;;;;1.64;;-2.8;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM459637;MM459637;CC=CCC#CCC1CC1;MTWRRJLUKOFEFW-UHFFFAOYSA-N;134.22;2.76;;;;;DOPC;MDCG;27;0;"MARTINI bead: C3_SC5";;;;;;;3.34;;0.48;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM459638;MM459638;C#CC1CC1C1(CN)CN1;QIVTVBSGKWJVIJ-UHFFFAOYSA-N;136.2;-0.44;;;;;DOPC;MDCG;27;1;"MARTINI bead: SP2_SC5";;;;;;;0.54;;-3.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM459639;MM459639;CC=CCC#CCN1CC1;XFAFENSWXYNADQ-UHFFFAOYSA-N;135.21;1.27;;;;;DOPC;MDCG;27;0;"MARTINI bead: C3_SP1";;;;;;;1.74;;0.29;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM459640;MM459640;C#CC1NC1C1(CN)CC1;DGJBHMLNEVOHNB-UHFFFAOYSA-N;136.2;-0.3;;;;;DOPC;MDCG;27;1;"MARTINI bead: SNd_SP3";;;;;;;-1.1;;-6.07;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM459641;MM459641;CC#CCC#CCC1CO1;LPIPWZACJBQGQV-UHFFFAOYSA-N;134.18;1.19;;;;;DOPC;MDCG;27;0;"MARTINI bead: C3_SNa";;;;;;;2.57;;0.45;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM459642;MM459642;C#CC1NC1C1(CF)CC1;TYGTZLNDZPGHQX-UHFFFAOYSA-N;139.17;0.71;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC5_SP3";;;;;;;-0.33;;-2.01;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM459643;MM459643;CC#CCC#CCN1CC1;NGNXHNPUANYNEH-UHFFFAOYSA-N;133.19;0.72;;;;;DOPC;MDCG;27;0;"MARTINI bead: C3_SP1";;;;;;;1.74;;0.29;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM459644;MM459644;C#CC1NC1C1(NC)CC1;HIOXSXACYVPRQY-UHFFFAOYSA-N;136.2;-0.29;;;;;DOPC;MDCG;27;1;"MARTINI bead: SNd_SP3";;;;;;;-1.1;;-5.76;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM459645;MM459645;CCC=CC#CCC1CO1;HKURCGKECLWVNX-UHFFFAOYSA-N;136.19;1.74;;;;;DOPC;MDCG;27;0;"MARTINI bead: C2_SNa";;;;;;;2.83;;0.35;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM459646;MM459646;C#CC1NC1C1(CN)CO1;YJFMAMGEOXFTCO-UHFFFAOYSA-N;138.17;-1.31;;;;;DOPC;MDCG;27;1;"MARTINI bead: SP2_SP3";;;;;;;-2.2;;-6.88;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM459647;MM459647;CCC=CC#CCN1CC1;ZJZKTQFLEPCODH-UHFFFAOYSA-N;135.21;1.27;;;;;DOPC;MDCG;27;0;"MARTINI bead: C2_SP1";;;;;;;2;;0.3;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM459648;MM459648;C#CC1OC1C1(CN)CC1;LQOQCUYOXNUHEQ-UHFFFAOYSA-N;137.18;0.13;;;;;DOPC;MDCG;27;1;"MARTINI bead: SNd_SNa";;;;;;;0.87;;-4.3;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM459649;MM459649;C=CC=CC#CCC1CO1;YJNGGRMQWIJERW-UHFFFAOYSA-N;134.18;1.52;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4_SNa";;;;;;;2.2;;0.34;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM459650;MM459650;C#CC1OC1C1(CO)CC1;HKETXXOZRKQLFC-UHFFFAOYSA-N;138.17;0.16;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNda_SNa";;;;;;;0.87;;-1.99;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM459651;MM459651;N#CC=CC#CCC1CO1;UFRZWBMPRNPCCB-UHFFFAOYSA-N;133.15;0.86;;;;;DOPC;MDCG;27;0;"MARTINI bead: N0_SNa";;;;;;;1.17;;-1.18;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM459652;MM459652;C#CC1OC1C1(NC)CC1;YWUJBSOVSHHKJY-UHFFFAOYSA-N;137.18;0.14;;;;;DOPC;MDCG;27;1;"MARTINI bead: SNd_SNa";;;;;;;0.87;;-3.81;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM459653;MM459653;C=CC=CC#CCN1CC1;VUIVZOUHAUZNHC-UHFFFAOYSA-N;133.19;1.05;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4_SP1";;;;;;;1.37;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM459654;MM459654;C#CC1OC1C1(OC)CC1;ZHLFMVWDUNEUEB-UHFFFAOYSA-N;138.17;0.57;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNa_SNa";;;;;;;0.87;;-2.22;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM459655;MM459655;C#CC=CC#CCC1CC1;NXNDHVUVBNWPQK-UHFFFAOYSA-N;130.19;1.98;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4_SC5";;;;;;;2.97;;0.45;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM459656;MM459656;C#CC1OC1C1(CN)CN1;TWDGXZLCGGGGRD-UHFFFAOYSA-N;138.17;-1.31;;;;;DOPC;MDCG;27;1;"MARTINI bead: SP2_SNa";;;;;;;-0.24;;-5.14;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM459657;MM459657;C#CC=CC#CCN1CC1;JTCAJMQAWRRBOH-UHFFFAOYSA-N;131.18;0.49;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4_SP1";;;;;;;1.37;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM459658;MM459658;C#CC1OC1C1(CF)CN1;MIPMMMBZVZDPCP-UHFFFAOYSA-N;141.15;-0.3;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP1_SNa";;;;;;;0.04;;-2.54;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM459659;MM459659;CCC#CC#CCC1CC1;DNJSHYURHBIYAL-UHFFFAOYSA-N;132.21;2.2;;;;;DOPC;MDCG;27;0;"MARTINI bead: C2_SC5";;;;;;;3.6;;0.34;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM459660;MM459660;C#CC1OC1C1(CC)CO1;XSADLKVTKIPQQY-UHFFFAOYSA-N;138.17;0.57;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNa_SNa";;;;;;;0.87;;-2.22;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM459661;MM459661;NCC#CC#CCC1CC1;CPXDPAJKDIQQJA-UHFFFAOYSA-N;133.19;0.75;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_SC5";;;;;;;1.64;;-1.1;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM459662;MM459662;C#CC1CN1C1(CC)CC1;XEGGTGMTVLHEQE-UHFFFAOYSA-N;135.21;1.25;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNd_SP3";;;;;;;-1.1;;-3.93;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM459663;MM459663;NCC#CC#CCC1CN1;YTSAEKRJMKFACE-UHFFFAOYSA-N;134.18;-0.69;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_SP1";;;;;;;0.04;;-3.85;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM459664;MM459664;C#CCNN=CC(C)CC;QTAOPAXTGKDGFZ-UHFFFAOYSA-N;138.21;1.24;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1_P3";;;;;;;0.94;;0.03;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM459665;MM459665;CCC#CC#CCC1CO1;HMZYGNXEKSPQGD-UHFFFAOYSA-N;134.18;1.19;;;;;DOPC;MDCG;27;0;"MARTINI bead: C2_SNa";;;;;;;2.83;;0.35;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM459666;MM459666;CCC1(C(C)C2CC2)CC1;VGSRUNKEUFGGMS-UHFFFAOYSA-N;138.25;3.22;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC3_SC3";;;;;;;4.27;;0.2;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM459667;MM459667;NCC#CC#CCC1CO1;BIEFIDJZARHMJX-UHFFFAOYSA-N;135.17;-0.26;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_SNa";;;;;;;0.87;;-3.08;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM459668;MM459668;CC(C1CC1)C1(CN)CC1;PAMTUCRIJCRASD-UHFFFAOYSA-N;139.24;1.77;;;;;DOPC;MDCG;27;1;"MARTINI bead: SC3_SNd";;;;;;;2.57;;-1.21;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM459669;MM459669;CCC#CC#CCN1CC1;CHHVTWCSHONSQS-UHFFFAOYSA-N;133.19;0.72;;;;;DOPC;MDCG;27;0;"MARTINI bead: C2_SP1";;;;;;;2;;0.3;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM459670;MM459670;CC(C1CC1)C1(CF)CC1;SIHFKKAWMNXCCA-UHFFFAOYSA-N;142.22;2.78;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC3_SC5";;;;;;;3.34;;0.48;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM459671;MM459671;NCC#CC#CCN1CC1;MPYREWBVSAMRMU-UHFFFAOYSA-N;134.18;-0.73;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_SP1";;;;;;;0.04;;-3.83;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM459672;MM459672;C=CC#CC#CCC1CC1;VJBKFDAIOGJWIA-UHFFFAOYSA-N;130.19;1.98;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4_SC5";;;;;;;2.97;;0.45;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM459673;MM459673;CCC1(C(N)C2CC2)CC1;MGKYFEVMLUMHEY-UHFFFAOYSA-N;139.24;1.91;;;;;DOPC;MDCG;27;1;"MARTINI bead: SC3_SNd";;;;;;;2.57;;-1.54;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM459674;MM459674;N#CC#CC#CCC1CC1;IMZPXLSZLPOFCZ-UHFFFAOYSA-N;129.16;1.32;;;;;DOPC;MDCG;27;0;"MARTINI bead: N0_SC5";;;;;;;1.94;;0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM459675;MM459675;CC(C1CN1)C1(CN)CC1;MPEVLZAHXAKKDD-UHFFFAOYSA-N;140.23;0.33;;;;;DOPC;MDCG;27;1;"MARTINI bead: SNd_SNd";;;;;;;0.87;;-4.61;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM459676;MM459676;C=CC#CC#CCC1CO1;DHMRESPYPLEEHK-UHFFFAOYSA-N;132.16;0.97;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4_SNa";;;;;;;2.2;;0.34;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM459677;MM459677;CC(C1CN1)C1(CN)CO1;XEDZTMDDMVTZKP-UHFFFAOYSA-N;142.2;-0.68;;;;;DOPC;MDCG;27;1;"MARTINI bead: SNd_SP2";;;;;;;-0.24;;-5.21;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM459678;MM459678;O=CC#CC#CCC1CO1;KWGXCEMYWHVWSK-UHFFFAOYSA-N;134.13;-0.02;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_SNa";;;;;;;1.64;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM459679;MM459679;CC(C1CO1)C1(CN)CO1;BMVKKGGROZDRDZ-UHFFFAOYSA-N;143.19;-0.25;;;;;DOPC;MDCG;27;1;"MARTINI bead: SNa_SP2";;;;;;;-0.24;;-5.28;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM459680;MM459680;N#CC#CC#CCC1CO1;KGABOVHPWUBGCH-UHFFFAOYSA-N;131.13;0.31;;;;;DOPC;MDCG;27;0;"MARTINI bead: N0_SNa";;;;;;;1.17;;-1.18;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM459681;MM459681;C=CC1(C(C)C2CC2)CC1;GAYDLGXUQPCASV-UHFFFAOYSA-N;136.24;3;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC3_SC4";;;;;;;3.9;;0.47;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM459682;MM459682;C=CC#CC#CCN1CC1;SNUDYGVXLSTCIU-UHFFFAOYSA-N;131.18;0.49;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4_SP1";;;;;;;1.37;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM459683;MM459683;CC(C1CC1)C1(C=O)CC1;ABRCAKPFDKHTHD-UHFFFAOYSA-N;138.21;2.01;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC3_SNa";;;;;;;2.57;;0.45;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM459684;MM459684;N#CC#CC#CCN1CC1;QLWZSYBZCHYNPZ-UHFFFAOYSA-N;130.15;-0.17;;;;;DOPC;MDCG;27;0;"MARTINI bead: N0_SP1";;;;;;;0.34;;-1.53;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM459685;MM459685;CC(C1CC1)C1(C#N)CC1;IXFQXRRPMUNEHH-UHFFFAOYSA-N;135.21;2.34;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC3_SN0";;;;;;;2.87;;0.37;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM459686;MM459686;C#CC#CC#CCC1CC1;XKIGMENAGZOWCY-UHFFFAOYSA-N;128.17;1.43;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4_SC5";;;;;;;2.97;;0.45;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM459687;MM459687;C=CC1(C(C)C2CO2)CC1;UTLPZZXAVCQSCA-UHFFFAOYSA-N;138.21;1.99;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNa_SC4";;;;;;;2.2;;0.34;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM459688;MM459688;C#CC#CC#CCC1CO1;FCNRAUDNNWVLFM-UHFFFAOYSA-N;130.15;0.42;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4_SNa";;;;;;;2.2;;0.34;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM459689;MM459689;CC(C1CO1)C1(C=O)CC1;BDTKPFVQXOPFQZ-UHFFFAOYSA-N;140.18;1;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNa_SNa";;;;;;;0.87;;-2.22;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM459690;MM459690;C#CC#CC#CCN1CC1;NGKUNYQBESKIGR-UHFFFAOYSA-N;129.16;-0.06;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4_SP1";;;;;;;1.37;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM459691;MM459691;CC(C1CO1)C1(C#N)CC1;KWOGYQRCJXMLIQ-UHFFFAOYSA-N;137.18;1.33;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNa_SN0";;;;;;;1.17;;-1.18;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM459692;MM459692;CCOCCC=CC1CC1;XRCLLNRYOVLZKW-UHFFFAOYSA-N;140.23;2.38;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_SC4";;;;;;;2.97;;0.45;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM459693;MM459693;CC(C1CC1)C1(C#N)CN1;GQNPISPKRZYGFH-UHFFFAOYSA-N;136.2;0.9;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC3_SP2";;;;;;;1.46;;-0.15;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM459694;MM459694;NCCNCC=CC1CC1;QFWTYEWNBFFVGB-UHFFFAOYSA-N;140.23;0.5;;;;;DOPC;MDCG;27;1;"MARTINI bead: P2_SC5";;;;;;;0.54;;-3.33;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM459695;MM459695;C=CC1(C(C)C2CC2)CO1;YTHZAACSAURTNS-UHFFFAOYSA-N;138.21;1.99;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC3_SNa";;;;;;;2.57;;0.45;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM459696;MM459696;NCCNCC=CC1CN1;MPEBKVOBNFPBNW-UHFFFAOYSA-N;141.22;-0.94;;;;;DOPC;MDCG;27;1;"MARTINI bead: P2_SP1";;;;;;;-1.06;;-6.07;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM459697;MM459697;CC(C1CC1)C1(C=O)CO1;DLLORWMFXMZEMY-UHFFFAOYSA-N;140.18;1;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC3_SP2";;;;;;;1.46;;-0.15;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM459698;MM459698;C=CCCCC=CC1CO1;GCNSWLWGWWPLEV-UHFFFAOYSA-N;138.21;2.3;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1_SNa";;;;;;;2.91;;0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM459699;MM459699;CC(C1CC1)C1(C#N)CO1;IITPDASAPDFMDU-UHFFFAOYSA-N;137.18;1.33;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC3_SP1";;;;;;;1.74;;0.29;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM459700;MM459700;C=CCCCC=NN1CC1;FHSHMUYYRMFRMV-UHFFFAOYSA-N;138.21;1.64;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1_SP3";;;;;;;0.94;;0.03;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM459701;MM459701;C=CC1(C(C)C2CO2)CO1;UFXCNAPTBJKHNY-UHFFFAOYSA-N;140.18;0.98;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNa_SNa";;;;;;;0.87;;-2.22;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM459702;MM459702;C#CCOCC=CC1CC1;DJCKIRBBEYSWCT-UHFFFAOYSA-N;136.19;1.6;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_SC5";;;;;;;1.64;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM459703;MM459703;CC(C1CO1)C1(C#N)CO1;ZNFZLYBCIIGEBT-UHFFFAOYSA-N;139.15;0.31;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNa_SP1";;;;;;;0.04;;-2.54;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM459704;MM459704;C#CCCOC=CC1CC1;PKMYGCDYZONGCT-UHFFFAOYSA-N;136.19;1.95;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_SC5";;;;;;;1.64;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM459705;MM459705;CC(N1CC1)C1(C#N)CC1;UJYVPKIVMHXKHJ-UHFFFAOYSA-N;136.2;0.99;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNd_SN0";;;;;;;1.17;;-1.04;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM459706;MM459706;C#CCCNN=CC1CO1;JYQDMLAGFIZCCQ-UHFFFAOYSA-N;138.17;-0.02;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_SNa";;;;;;;-0.24;;-3.24;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM459707;MM459707;CC(N1CC1)C1(C#N)CN1;RODVXMZSTJLPTQ-UHFFFAOYSA-N;137.19;-0.44;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNd_SP2";;;;;;;-0.24;;-3.16;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM459708;MM459708;CC=CCCC=CC1CC1;RNTCGAAYPNWTJA-UHFFFAOYSA-N;136.24;3.31;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1_SC5";;;;;;;3.68;;0.46;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM459709;MM459709;C=CC1(C(C)N2CC2)CO1;LZWTXBDCOVIHOV-UHFFFAOYSA-N;139.2;0.65;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNd_SNa";;;;;;;0.87;;-1.88;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM459710;MM459710;CC#CCOC=CC1CO1;JGHYWBOEYFXLIJ-UHFFFAOYSA-N;138.17;0.94;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_SNa";;;;;;;1.64;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM459711;MM459711;C#CC1(C(C)C2CO2)CC1;WYJVDAOKEYJAQT-UHFFFAOYSA-N;136.19;1.43;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNa_SC5";;;;;;;1.64;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM459712;MM459712;CCC=CCC=CC1CC1;LPQBJXKYBCENNL-UHFFFAOYSA-N;136.24;3.31;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1_SC5";;;;;;;3.68;;0.46;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM459713;MM459713;C#CC1(C(C)C2CC2)CN1;AOAQABIRBZBDKZ-UHFFFAOYSA-N;135.21;1.01;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC3_SP3";;;;;;;0.6;;-0.8;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM459714;MM459714;CCC=CCC=CC1CO1;FALBWWVZJHDRLE-UHFFFAOYSA-N;138.21;2.3;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1_SNa";;;;;;;2.91;;0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM459715;MM459715;C#CC1(C(C)C2CO2)CN1;CPNNDTSJNVOEMO-UHFFFAOYSA-N;137.18;;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNa_SP3";;;;;;;-1.1;;-4.2;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM459716;MM459716;C=CC=COC=CC1CC1;WLWSPHPTUIMEFH-UHFFFAOYSA-N;136.19;2.63;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4_SC5";;;;;;;2.97;;0.45;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM459717;MM459717;C#CC1(C(C)C2CC2)CO1;YGKCIVTYOOIUJS-UHFFFAOYSA-N;136.19;1.43;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC3_SNa";;;;;;;2.57;;0.45;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM459718;MM459718;CCOCC(=O)C=NOC;GSTFUWRLOXMPHC-UHFFFAOYSA-N;145.16;0.22;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_P1";;;;;;;0.04;;-2.54;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM459719;MM459719;C#CC1(C(C)N2CC2)CN1;BBINRBKBXNKGNK-UHFFFAOYSA-N;136.2;-0.33;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNd_SP3";;;;;;;-1.1;;-3.93;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM459720;MM459720;C=CC=CN=CNC1CC1;DAFKKAOGJZYQPJ-UHFFFAOYSA-N;136.2;1.47;;;;;DOPC;MDCG;27;1;"MARTINI bead: C4_SP1";;;;;;;1.37;;-2.87;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM459721;MM459721;C#CC1(C(C)N2CC2)CO1;POMXFDBRKHJKQI-UHFFFAOYSA-N;137.18;0.09;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNd_SNa";;;;;;;0.87;;-1.88;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM459722;MM459722;C=CC=COC=CC1CO1;BGGOOIXFFNEPTE-UHFFFAOYSA-N;138.17;1.62;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4_SNa";;;;;;;2.2;;0.34;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM459723;MM459723;CCC1(CCC2CC2)CC1;MGUOPGNECPCTIZ-UHFFFAOYSA-N;138.25;3.37;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC3_SC5";;;;;;;3.34;;0.48;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM459724;MM459724;C=CC=CN=CNN1CC1;RBUOLMRLUGAIJJ-UHFFFAOYSA-N;137.19;0.53;;;;;DOPC;MDCG;27;1;"MARTINI bead: C4_SP3";;;;;;;0.23;;-2.58;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM459725;MM459725;NCC1(CCC2CC2)CC1;ZIUCAZLKCCAOKF-UHFFFAOYSA-N;139.24;1.92;;;;;DOPC;MDCG;27;1;"MARTINI bead: SNd_SC5";;;;;;;1.64;;-2.39;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM459726;MM459726;C#CC=CN=CNC1CC1;YHPRXCWLVFKCEL-UHFFFAOYSA-N;134.18;0.91;;;;;DOPC;MDCG;27;1;"MARTINI bead: C5_SP1";;;;;;;0.81;;-2.96;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM459727;MM459727;C=NOCC#CC(=O)C#N;MWYGNHAUMZZRCD-UHFFFAOYSA-N;136.11;-0.29;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_Na";;;;;;;0.04;;-2.54;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM459728;MM459728;C#CC=NOC=NN1CC1;VGCDXWTTYNBVPM-UHFFFAOYSA-N;137.14;-0.12;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_SP3";;;;;;;-1.1;;-4.2;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM459729;MM459729;FCC1(CCC2CC2)CC1;AYBKEOANPGMYQY-UHFFFAOYSA-N;142.22;2.93;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC5_SC5";;;;;;;2.41;;0.64;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM459730;MM459730;CCC#CCC=CC1CC1;VUZIPJSUYNCSKV-UHFFFAOYSA-N;134.22;2.76;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1_SC5";;;;;;;3.68;;0.46;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM459731;MM459731;CNC1(CCC2CC2)CC1;YZJRDQHRWWFFGG-UHFFFAOYSA-N;139.24;1.93;;;;;DOPC;MDCG;27;1;"MARTINI bead: SNd_SC5";;;;;;;1.64;;-2.8;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM459732;MM459732;NCC#CCC=CC1CC1;HLUDYMVFIDOUIQ-UHFFFAOYSA-N;135.21;1.3;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_SC5";;;;;;;1.64;;-1.39;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM459733;MM459733;COC1(CCC2CC2)CC1;BHBXLFIELXEHIE-UHFFFAOYSA-N;140.23;2.36;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNa_SC5";;;;;;;1.64;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM459734;MM459734;NCC#CCC=CC1CN1;VHGUBCIJXPBAPA-UHFFFAOYSA-N;136.2;-0.13;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_SP1";;;;;;;0.04;;-4.13;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM459735;MM459735;CCC1(CNC2CC2)CC1;FZUMHDOVOZRXJS-UHFFFAOYSA-N;139.24;1.93;;;;;DOPC;MDCG;27;1;"MARTINI bead: SC3_SP1";;;;;;;1.74;;-2.12;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM459736;MM459736;CCC#CCC=CC1CO1;WSGMTUANXXDGKA-UHFFFAOYSA-N;136.19;1.74;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1_SNa";;;;;;;2.91;;0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM459737;MM459737;NCC1(CNC2CC2)CC1;OKIYDCYUUOGKBK-UHFFFAOYSA-N;140.23;0.48;;;;;DOPC;MDCG;27;1;"MARTINI bead: SNd_SP1";;;;;;;0.04;;-5.25;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM459738;MM459738;NCC#CCC=CC1CO1;XTVMUFSYUZQGIV-UHFFFAOYSA-N;137.18;0.29;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_SNa";;;;;;;0.87;;-3.37;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM459739;MM459739;OCC1(CNC2CC2)CC1;XMMVQWPABIQTFF-UHFFFAOYSA-N;141.21;0.51;;;;;DOPC;MDCG;27;1;"MARTINI bead: SNda_SP1";;;;;;;0.04;;-5;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM459740;MM459740;CCC#CCC=NN1CC1;LFFRHVXRWLGCOZ-UHFFFAOYSA-N;136.2;1.09;;;;;DOPC;MDCG;27;0;"MARTINI bead: C3_SP2";;;;;;;1.46;;-0.15;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM459741;MM459741;FCC1(CNC2CC2)CC1;PLEVEBSULQHIKR-UHFFFAOYSA-N;143.21;1.49;;;;;DOPC;MDCG;27;1;"MARTINI bead: SC5_SP1";;;;;;;0.81;;-2.91;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM459742;MM459742;C=CC#CCC=CC1CC1;FUOQHSUCWSOHIS-UHFFFAOYSA-N;132.21;2.53;;;;;DOPC;MDCG;27;0;"MARTINI bead: C2_SC5";;;;;;;3.6;;0.34;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM459743;MM459743;CCC1(NCC2CC2)CC1;LNLKCGUXILWBLJ-UHFFFAOYSA-N;139.24;1.93;;;;;DOPC;MDCG;27;1;"MARTINI bead: SNd_SC5";;;;;;;1.64;;-3.03;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM459744;MM459744;N#CC#CCC=CC1CC1;FPPGRFARHTYLNW-UHFFFAOYSA-N;131.18;1.87;;;;;DOPC;MDCG;27;0;"MARTINI bead: N0_SC5";;;;;;;1.94;;0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM459745;MM459745;NCC1(NCC2CC2)CC1;RNPKRAKKXYJWKI-UHFFFAOYSA-N;140.23;0.48;;;;;DOPC;MDCG;27;1;"MARTINI bead: SP2_SC5";;;;;;;0.54;;-3.74;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM459746;MM459746;N#CC#CCC=CC1CO1;AYOGUCUIPTUPKI-UHFFFAOYSA-N;133.15;0.86;;;;;DOPC;MDCG;27;0;"MARTINI bead: N0_SNa";;;;;;;1.17;;-1.18;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM459747;MM459747;OCC1(NCC2CC2)CC1;PWTLCAJERGWSFZ-UHFFFAOYSA-N;141.21;0.51;;;;;DOPC;MDCG;27;1;"MARTINI bead: SP2_SC5";;;;;;;0.54;;-3.48;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM459748;MM459748;N#CC#CCC=NN1CC1;HZUYTLCYJHWZKY-UHFFFAOYSA-N;133.15;0.2;;;;;DOPC;MDCG;27;0;"MARTINI bead: N0_SP2";;;;;;;0.06;;-2.21;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM459749;MM459749;FCC1(NCC2CC2)CC1;VASRMPSSIIHZKJ-UHFFFAOYSA-N;143.21;1.49;;;;;DOPC;MDCG;27;1;"MARTINI bead: SP1_SC5";;;;;;;0.81;;-1.95;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM459750;MM459750;C#CC#CCC=CC1CC1;VTUBXIUTLPHXCB-UHFFFAOYSA-N;130.19;1.98;;;;;DOPC;MDCG;27;0;"MARTINI bead: C2_SC5";;;;;;;3.6;;0.34;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM459751;MM459751;NCC1(CCC2CN2)CC1;BCKDWCALHRTUEM-UHFFFAOYSA-N;140.23;0.48;;;;;DOPC;MDCG;27;1;"MARTINI bead: SNd_SP1";;;;;;;0.04;;-5.13;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM459752;MM459752;C#CC#CCC=CC1CO1;DYHIYESZXWXETA-UHFFFAOYSA-N;132.16;0.97;;;;;DOPC;MDCG;27;0;"MARTINI bead: C2_SNa";;;;;;;2.83;;0.35;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM459753;MM459753;CNC1(CCC2CN2)CC1;FEOXSPRCEQDXRI-UHFFFAOYSA-N;140.23;0.49;;;;;DOPC;MDCG;27;1;"MARTINI bead: SNd_SP1";;;;;;;0.04;;-5.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM459754;MM459754;C#CC#CCC=NN1CC1;ZWPRZFNAQYSUBJ-UHFFFAOYSA-N;132.17;0.31;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4_SP2";;;;;;;1.09;;-0.38;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM459755;MM459755;NCC1(NCC2CN2)CC1;MEUYWBWMMXHQLF-UHFFFAOYSA-N;141.22;-0.96;;;;;DOPC;MDCG;27;1;"MARTINI bead: SP2_SP1";;;;;;;-1.06;;-5.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM459756;MM459756;NCCC=CC=CC1CC1;VQZTYSOMKHNMES-UHFFFAOYSA-N;137.23;1.86;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_SC4";;;;;;;2.2;;-2.18;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM459757;MM459757;NCC1(CCC2CO2)CC1;DQKLOXDICNSIPJ-UHFFFAOYSA-N;141.21;0.9;;;;;DOPC;MDCG;27;1;"MARTINI bead: SNd_SNa";;;;;;;0.87;;-4.38;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM459758;MM459758;CCOC=NN=CC1CC1;AXMFXSYRARIAFB-UHFFFAOYSA-N;140.19;1.45;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_SC5";;;;;;;1.64;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM459759;MM459759;CON=C(OC)C(F)=CN;UBRDKZHDUVZOGT-UHFFFAOYSA-N;148.14;0.36;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_Nda";;;;;;;0.87;;-1.99;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM459760;MM459760;CNCC=CC=CC1CO1;BJAJNJWGMAYIDU-UHFFFAOYSA-N;139.2;0.72;;;;;DOPC;MDCG;27;1;"MARTINI bead: C5_SNa";;;;;;;1.64;;-2.31;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM459761;MM459761;FCC1(CCC2CO2)CC1;ABGLZPPBYMQCFF-UHFFFAOYSA-N;144.19;1.92;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC5_SNa";;;;;;;1.64;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM459762;MM459762;C=CCC=NN=CC1CC1;NXJKSAOIIILHEG-UHFFFAOYSA-N;136.2;2.03;;;;;DOPC;MDCG;27;0;"MARTINI bead: N0_SC5";;;;;;;1.94;;0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM459763;MM459763;C=CCC=CC=CC1CO1;CCKBVSFVIQHODZ-UHFFFAOYSA-N;136.19;2.07;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1_SNa";;;;;;;2.91;;0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM459764;MM459764;CNC1(CCC2CO2)CC1;HJLWTXOOUQQORU-UHFFFAOYSA-N;141.21;0.92;;;;;DOPC;MDCG;27;1;"MARTINI bead: SNd_SNa";;;;;;;0.87;;-4.77;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM459765;MM459765;COC1(CCC2CO2)CC1;LYFZOWMWEOULLC-UHFFFAOYSA-N;142.2;1.34;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNa_SNa";;;;;;;0.87;;-2.22;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM459766;MM459766;C=CCC=NN=CC1CO1;PWHONRLACWWLAJ-UHFFFAOYSA-N;138.17;1.02;;;;;DOPC;MDCG;27;0;"MARTINI bead: N0_SNa";;;;;;;1.17;;-1.18;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM459767;MM459767;C=CCC=CC=NN1CC1;ZLJSWZXXCNWQBN-UHFFFAOYSA-N;136.2;1.42;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1_SP3";;;;;;;0.94;;0.03;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM459768;MM459768;CCC1(NCC2CO2)CC1;LREDURAHVCQWMQ-UHFFFAOYSA-N;141.21;0.92;;;;;DOPC;MDCG;27;1;"MARTINI bead: SNd_SNa";;;;;;;0.87;;-4.09;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM459769;MM459769;C#CCC=NN=CC1CN1;SNIQKGHIBYDZCS-UHFFFAOYSA-N;135.17;0.04;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_SP1";;;;;;;-0.79;;-3.13;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM459770;MM459770;NCC1(CCC2CC2)CN1;DWHPCKUXWWTFOD-UHFFFAOYSA-N;140.23;0.48;;;;;DOPC;MDCG;27;1;"MARTINI bead: SP2_SC5";;;;;;;0.54;;-3.07;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM459771;MM459771;C#CCC=CC=CC1CO1;PIMNRFALAMOHBT-UHFFFAOYSA-N;134.18;1.52;;;;;DOPC;MDCG;27;0;"MARTINI bead: C3_SNa";;;;;;;2.57;;0.45;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM459772;MM459772;FCC1(CCC2CC2)CN1;QPLFRFXFKSZYMU-UHFFFAOYSA-N;143.21;1.49;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNda_SC5";;;;;;;1.64;;0.05;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM459773;MM459773;C#CCC=NN=CC1CO1;YBKPKCKIBDKNBN-UHFFFAOYSA-N;136.15;0.47;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_SNa";;;;;;;0.04;;-2.54;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM459774;MM459774;NCC1(CNC2CC2)CN1;JEAYHCBBHSRJIZ-UHFFFAOYSA-N;141.22;-0.96;;;;;DOPC;MDCG;27;1;"MARTINI bead: SP2_SP1";;;;;;;-1.06;;-5.76;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM459775;MM459775;C#CCC=NN=CN1CC1;HRVNEUIHQCRFQO-UHFFFAOYSA-N;135.17;0.34;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_SP1";;;;;;;-0.79;;-3.13;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM459776;MM459776;OCC1(CNC2CC2)CN1;KEDNZVPPLSDXKR-UHFFFAOYSA-N;142.2;-0.93;;;;;DOPC;MDCG;27;1;"MARTINI bead: SP2_SP1";;;;;;;-1.06;;-5.31;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM459777;MM459777;FCC1(CNC2CC2)CN1;TVVBLOXBPUIYBH-UHFFFAOYSA-N;144.19;0.05;;;;;DOPC;MDCG;27;1;"MARTINI bead: SNda_SP1";;;;;;;0.04;;-4.35;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM459778;MM459778;C#CCC=CC=NN1CC1;RTDGPUJFHJANEF-UHFFFAOYSA-N;134.18;0.87;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_SP2";;;;;;;0.54;;-1.09;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM459779;MM459779;CC=CC=NN=CC1CO1;GMBBELIXCPKKNN-UHFFFAOYSA-N;138.17;1.02;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_SNa";;;;;;;1.64;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM459780;MM459780;NCC1(CCC2CN2)CN1;HTYMTYXCSDZVOX-UHFFFAOYSA-N;141.22;-0.96;;;;;DOPC;MDCG;27;1;"MARTINI bead: SP2_SP1";;;;;;;-1.06;;-5.83;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM459781;MM459781;CC#CC=CC=CC1CC1;NXRTYNRRGQWABM-UHFFFAOYSA-N;132.21;2.53;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1_SC5";;;;;;;3.68;;0.46;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM459782;MM459782;CCC1(CCC2CC2)CO1;SUBUKJBAGJEJEO-UHFFFAOYSA-N;140.23;2.36;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNa_SC5";;;;;;;1.64;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM459783;MM459783;CC#CC=NN=CC1CC1;UMWDKNAQIJWJLD-UHFFFAOYSA-N;134.18;1.48;;;;;DOPC;MDCG;27;0;"MARTINI bead: N0_SC5";;;;;;;1.94;;0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM459784;MM459784;NCC1(CCC2CC2)CO1;BOMQWQNDADADAL-UHFFFAOYSA-N;141.21;0.9;;;;;DOPC;MDCG;27;1;"MARTINI bead: SP2_SC5";;;;;;;0.54;;-3.13;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM459785;MM459785;CC#CC=NN=CC1CO1;ICBNNYSXPOGBSX-UHFFFAOYSA-N;136.15;0.47;;;;;DOPC;MDCG;27;0;"MARTINI bead: N0_SNa";;;;;;;1.17;;-1.18;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM459786;MM459786;OCC1(CCC2CC2)CO1;GGFLVRRMQREUHX-UHFFFAOYSA-N;142.2;0.94;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP1_SC5";;;;;;;0.81;;-0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM459787;MM459787;CNCC#CC=CC1CC1;QXFREWFKNKOQGI-UHFFFAOYSA-N;135.21;1.18;;;;;DOPC;MDCG;27;1;"MARTINI bead: P2_SC4";;;;;;;1.09;;-1.98;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM459788;MM459788;FCC1(CCC2CC2)CO1;JRGBIYZPSGHIIF-UHFFFAOYSA-N;144.19;1.92;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNa_SC5";;;;;;;1.64;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM459789;MM459789;CCC1(CNC2CC2)CO1;USWFYLBINXTRJW-UHFFFAOYSA-N;141.21;0.92;;;;;DOPC;MDCG;27;1;"MARTINI bead: SNa_SP1";;;;;;;0.04;;-4.65;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM459790;MM459790;CCCC#CC=CC1CO1;AJRYNWJYNLJCQF-UHFFFAOYSA-N;136.19;1.74;;;;;DOPC;MDCG;27;0;"MARTINI bead: C3_SNa";;;;;;;2.57;;0.45;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM459791;MM459791;NCC1(COC2CC2)CO1;QJJIZLPQCAWIBQ-UHFFFAOYSA-N;143.19;-0.11;;;;;DOPC;MDCG;27;1;"MARTINI bead: SP2_SP1";;;;;;;-1.06;;-5.8;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM459792;MM459792;NCCC#CC=NN1CC1;UFLQETNAUJEIJT-UHFFFAOYSA-N;137.19;-0.36;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_SP2";;;;;;;-0.24;;-5.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM459793;MM459793;NCC1(CCC2CN2)CO1;ZERCBNOKLGKUHX-UHFFFAOYSA-N;142.2;-0.53;;;;;DOPC;MDCG;27;1;"MARTINI bead: SP2_SP1";;;;;;;-1.06;;-5.88;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM459794;MM459794;CNCC#CC=NN1CC1;OFCJUYDHBVMYEV-UHFFFAOYSA-N;137.19;-0.49;;;;;DOPC;MDCG;27;1;"MARTINI bead: P2_SP2";;;;;;;-1.34;;-5.83;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM459795;MM459795;OCC1(CCC2CO2)CO1;WRIGTIHDDLVBCL-UHFFFAOYSA-N;144.17;-0.07;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP1_SNa";;;;;;;0.04;;-2.54;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM459796;MM459796;C=CCC#CC=CC1CC1;MMVICLXQDLIBNN-UHFFFAOYSA-N;132.21;2.53;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_SC4";;;;;;;2.97;;0.45;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM459797;MM459797;FCC1(CCC2CO2)CO1;LMVHHMHHIRFOGD-UHFFFAOYSA-N;146.16;0.9;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNa_SNa";;;;;;;0.87;;-2.22;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM459798;MM459798;C=CCC#CC=CC1CO1;BMJBRMAWRFAXJO-UHFFFAOYSA-N;134.18;1.52;;;;;DOPC;MDCG;27;0;"MARTINI bead: C3_SNa";;;;;;;2.57;;0.45;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM459799;MM459799;NCC1(CCN2CC2)CC1;HCYPXYCAZOLPPB-UHFFFAOYSA-N;140.23;0.43;;;;;DOPC;MDCG;27;1;"MARTINI bead: SNd_SP1";;;;;;;0.04;;-5.12;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM459800;MM459800;O=CCC#CC=CC1CO1;YUCDZLJCROZFLZ-UHFFFAOYSA-N;136.15;0.53;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_SNa";;;;;;;0.87;;-2.22;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM459801;MM459801;NCC1(CCN2CC2)CN1;KUVWDRDOVLRJOD-UHFFFAOYSA-N;141.22;-1.01;;;;;DOPC;MDCG;27;1;"MARTINI bead: SP2_SP1";;;;;;;-1.06;;-5.81;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM459802;MM459802;N#CCC#CC=CC1CO1;BNLKTXJIGFYSQO-UHFFFAOYSA-N;133.15;0.86;;;;;DOPC;MDCG;27;0;"MARTINI bead: N0_SNa";;;;;;;1.17;;-1.18;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM459803;MM459803;NCC1(CCN2CC2)CO1;BHNMELIAWFDQSA-UHFFFAOYSA-N;142.2;-0.58;;;;;DOPC;MDCG;27;1;"MARTINI bead: SP2_SP1";;;;;;;-1.06;;-5.87;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM459804;MM459804;C=CCC#CC=NN1CC1;FODZCMAMXNCTSZ-UHFFFAOYSA-N;134.18;0.87;;;;;DOPC;MDCG;27;0;"MARTINI bead: C3_SP3";;;;;;;0.6;;-0.8;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM459805;MM459805;C#CCC#CC=CC1CC1;CTCSHHSWYZXXGX-UHFFFAOYSA-N;130.19;1.98;;;;;DOPC;MDCG;27;0;"MARTINI bead: C3_SC5";;;;;;;3.34;;0.48;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM459806;MM459806;C=CC1(CCC2CC2)CC1;ZPHRLQVEBAFIBS-UHFFFAOYSA-N;136.24;3.14;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC4_SC5";;;;;;;2.97;;0.45;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM459807;MM459807;C#CCC#CC=CC1CO1;DZFKQTMBOKKATE-UHFFFAOYSA-N;132.16;0.97;;;;;DOPC;MDCG;27;0;"MARTINI bead: C3_SNa";;;;;;;2.57;;0.45;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM459808;MM459808;O=CC1(CCC2CC2)CC1;CWLUAYKGMJHIQR-UHFFFAOYSA-N;138.21;2.16;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNa_SC5";;;;;;;1.64;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM459809;MM459809;N#CC1(CCC2CC2)CC1;JVJDULPSLCFQRI-UHFFFAOYSA-N;135.21;2.48;;;;;DOPC;MDCG;27;0;"MARTINI bead: SN0_SC5";;;;;;;1.94;;0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM459810;MM459810;C#CCC#CC=NN1CC1;PUKJRSDAAUHTGZ-UHFFFAOYSA-N;132.17;0.31;;;;;DOPC;MDCG;27;0;"MARTINI bead: C3_SP3";;;;;;;0.6;;-0.8;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM459811;MM459811;C=CC1(CNC2CC2)CC1;USFGAKXDQRKAHL-UHFFFAOYSA-N;137.23;1.7;;;;;DOPC;MDCG;27;1;"MARTINI bead: SC4_SP1";;;;;;;1.37;;-2.64;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM459812;MM459812;FC=CC#CC=CC1CC1;DQHPXNWQYNVASM-UHFFFAOYSA-N;136.17;2.44;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_SC4";;;;;;;2.97;;0.45;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM459813;MM459813;C=CC1(COC2CC2)CC1;MINVVXOOMPCHKB-UHFFFAOYSA-N;138.21;2.13;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC4_SP1";;;;;;;1.37;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM459814;MM459814;NN=CC#CC=CC1CC1;OKUSOMWMWDCWTB-UHFFFAOYSA-N;134.18;0.9;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_SC4";;;;;;;1.37;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM459815;MM459815;O=CC1(COC2CC2)CC1;XAQUVCBUASTSSK-UHFFFAOYSA-N;140.18;1.14;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNa_SP1";;;;;;;0.04;;-2.54;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM459816;MM459816;ON=CC#CC=CC1CC1;FZCIMVIZCCPVDI-UHFFFAOYSA-N;135.17;1.42;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_SC4";;;;;;;1.37;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM459817;MM459817;N#CC1(COC2CC2)CC1;YHHJMQTYPRMFTE-UHFFFAOYSA-N;137.18;1.47;;;;;DOPC;MDCG;27;0;"MARTINI bead: SN0_SP1";;;;;;;0.34;;-1.53;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM459818;MM459818;CC=CC#CC=CC1CO1;ILKYVZWFUHZNBE-UHFFFAOYSA-N;134.18;1.52;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1_SNa";;;;;;;2.91;;0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM459819;MM459819;C=CC1(NCC2CC2)CC1;GDCKFQSUVPVTPU-UHFFFAOYSA-N;137.23;1.7;;;;;DOPC;MDCG;27;1;"MARTINI bead: SNd_SC5";;;;;;;1.64;;-2.23;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM459820;MM459820;CC=CC#CC=NN1CC1;BYSFMMSKWNDSSC-UHFFFAOYSA-N;134.18;0.87;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1_SP3";;;;;;;0.94;;0.03;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM459821;MM459821;N#CC1(NCC2CC2)CC1;IFADRXUAFWTWND-UHFFFAOYSA-N;136.2;1.04;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP2_SC5";;;;;;;0.54;;-1.09;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM459822;MM459822;CC#CC#CC=CC1CC1;WBFYAHNQQURFOW-UHFFFAOYSA-N;130.19;1.98;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1_SC5";;;;;;;3.68;;0.46;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM459823;MM459823;C=CC1(NCC2CN2)CC1;SCGMSELPHAJAOK-UHFFFAOYSA-N;138.21;0.27;;;;;DOPC;MDCG;27;1;"MARTINI bead: SNd_SP1";;;;;;;0.04;;-3.93;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM459824;MM459824;CC#CC#CC=CC1CO1;PQUMRAFSMKVQQI-UHFFFAOYSA-N;132.16;0.97;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1_SNa";;;;;;;2.91;;0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM459825;MM459825;C=CC1(CCC2CO2)CC1;IWEDZBMKOGZCAQ-UHFFFAOYSA-N;138.21;2.13;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC4_SNa";;;;;;;2.2;;0.34;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM459826;MM459826;CC#CC#CC=NN1CC1;GUVDBDNCRRCDKC-UHFFFAOYSA-N;132.17;0.31;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1_SP3";;;;;;;0.94;;0.03;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM459827;MM459827;O=CC1(CCC2CO2)CC1;RHUAZSDANNOKDE-UHFFFAOYSA-N;140.18;1.14;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNa_SNa";;;;;;;0.87;;-2.22;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM459828;MM459828;CCC(C)NN=CCC#N;JXRHKJSRIZVEOH-UHFFFAOYSA-N;139.2;1.27;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1_P1";;;;;;;2.08;;0.48;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM459829;MM459829;N#CC1(CCC2CO2)CC1;NMCNUPMFQSEOPR-UHFFFAOYSA-N;137.18;1.47;;;;;DOPC;MDCG;27;0;"MARTINI bead: SN0_SNa";;;;;;;1.17;;-1.18;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM459830;MM459830;CCOCCC#CC1CC1;ACFQDBHPJFYKGA-UHFFFAOYSA-N;138.21;1.83;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4_SC5";;;;;;;2.97;;0.45;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM459831;MM459831;C=CC1(NCC2CO2)CC1;NAGGNOKKQXALTQ-UHFFFAOYSA-N;139.2;0.69;;;;;DOPC;MDCG;27;1;"MARTINI bead: SNd_SNa";;;;;;;0.87;;-3.27;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM459832;MM459832;OCCOCC#CC1CC1;CMZSWBIRDQMUQU-UHFFFAOYSA-N;140.18;0.41;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_SC5";;;;;;;0.81;;-0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM459833;MM459833;O=CC1(CCC2CC2)CN1;BWJTWYFOOZJCJO-UHFFFAOYSA-N;139.2;0.72;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP2_SC5";;;;;;;0.54;;-1.09;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM459834;MM459834;N=C(NN)ON=CC=CN;SMVVWAMFPVVTOW-UHFFFAOYSA-N;143.15;-1.14;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_P1";;;;;;;-1.06;;-3.82;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM459835;MM459835;N#CC1(CCC2CC2)CN1;VTIGTRGLYYYPAZ-UHFFFAOYSA-N;136.2;1.04;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP1_SC5";;;;;;;0.81;;-0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM459836;MM459836;CCCNCC#CC1CN1;HFJMXECLNLONGN-UHFFFAOYSA-N;138.21;-0.04;;;;;DOPC;MDCG;27;1;"MARTINI bead: C5_SP1";;;;;;;0.81;;-2.37;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM459837;MM459837;C=CC1(CNC2CC2)CN1;NXRWPZTWNZKJQF-UHFFFAOYSA-N;138.21;0.27;;;;;DOPC;MDCG;27;1;"MARTINI bead: SP1_SP1";;;;;;;-0.79;;-5.05;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM459838;MM459838;CC#CC=NOC(=N)NN;YALVXUKWRFTWKA-UHFFFAOYSA-N;140.15;-0.59;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4_P3";;;;;;;0.23;;-1.03;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM459839;MM459839;O=CC1(CNC2CC2)CN1;LBWGUEMHGDAWCF-UHFFFAOYSA-N;140.19;-0.72;;;;;DOPC;MDCG;27;1;"MARTINI bead: SP2_SP1";;;;;;;-1.06;;-5.1;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM459840;MM459840;O=CC1(COC2CC2)CN1;AANAZUVXYOFECD-UHFFFAOYSA-N;141.17;-0.29;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP2_SP1";;;;;;;-1.06;;-3.82;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM459841;MM459841;OCCCCC#CC1CO1;SIXSEBKFFMUNNW-UHFFFAOYSA-N;140.18;0.55;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_SNa";;;;;;;1.64;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM459842;MM459842;N#CC1(COC2CC2)CN1;INIFCMQAWSSMJX-UHFFFAOYSA-N;138.17;0.03;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP1_SP1";;;;;;;-0.79;;-3.13;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM459843;MM459843;CCOCCC#CC1CO1;JZTAUKIQGXAFMS-UHFFFAOYSA-N;140.18;0.82;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4_SNa";;;;;;;2.2;;0.34;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM459844;MM459844;O=CC1(CCC2CO2)CN1;IMVDPNUJHPHGJA-UHFFFAOYSA-N;141.17;-0.29;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP2_SNa";;;;;;;-0.24;;-3.24;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM459845;MM459845;OCCOCC#CC1CO1;NCVRHJHEYDYPAK-UHFFFAOYSA-N;142.15;-0.6;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_SNa";;;;;;;0.04;;-2.54;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM459846;MM459846;C=CCCCC#CC1CC1;WUNWFIHYXCWKPT-UHFFFAOYSA-N;134.22;2.76;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1_SC5";;;;;;;3.68;;0.46;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM459847;MM459847;N#CC1(CCC2CO2)CN1;RXAHNKATDNJGIW-UHFFFAOYSA-N;138.17;0.03;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP1_SNa";;;;;;;0.04;;-2.54;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM459848;MM459848;C=CC1(CCC2CC2)CO1;NUSAOACKFPHDKL-UHFFFAOYSA-N;138.21;2.13;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNa_SC5";;;;;;;1.64;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM459849;MM459849;C=CCCCC#CC1CO1;FURKIOFLQDBDPK-UHFFFAOYSA-N;136.19;1.74;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1_SNa";;;;;;;2.91;;0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM459850;MM459850;O=CC1(CCC2CC2)CO1;LOEADRDIHFDCFF-UHFFFAOYSA-N;140.18;1.14;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP1_SC5";;;;;;;0.81;;-0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM459851;MM459851;CC=CCCC#CC1CC1;DNOWPWKMCCAQJM-UHFFFAOYSA-N;134.22;2.76;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1_SC5";;;;;;;3.68;;0.46;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM459852;MM459852;N#CC1(CCC2CC2)CO1;HELFKQJQDXMZLG-UHFFFAOYSA-N;137.18;1.47;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNa_SC5";;;;;;;1.64;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM459853;MM459853;CCC=CCC#CC1CC1;YDAJUJFDGQAZSC-UHFFFAOYSA-N;134.22;2.76;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1_SC5";;;;;;;3.68;;0.46;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM459854;MM459854;C=CC1(CNC2CC2)CO1;QVVSYEUDSQCTJS-UHFFFAOYSA-N;139.2;0.69;;;;;DOPC;MDCG;27;1;"MARTINI bead: SNa_SP1";;;;;;;0.04;;-4.55;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM459855;MM459855;C=NN=CCC#CC1CC1;CUFFMVWPAQAECM-UHFFFAOYSA-N;134.18;1.48;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4_SC5";;;;;;;2.97;;0.45;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM459856;MM459856;O=CC1(CNC2CC2)CO1;XTSAKVAIJBABPW-UHFFFAOYSA-N;141.17;-0.29;;;;;DOPC;MDCG;27;1;"MARTINI bead: SP1_SP1";;;;;;;-0.79;;-4.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM459857;MM459857;CCC#CCC#CC1CC1;DEYAXFLTCHSOSV-UHFFFAOYSA-N;132.21;2.2;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1_SC5";;;;;;;3.68;;0.46;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM459858;MM459858;C=CC1(CCC2CO2)CO1;WPTDIEYWVDMDJK-UHFFFAOYSA-N;140.18;1.12;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNa_SNa";;;;;;;0.87;;-2.22;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM459859;MM459859;NCC#CCC#CC1CC1;YQNWYFVZZHUKHR-UHFFFAOYSA-N;133.19;0.75;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_SC5";;;;;;;1.64;;-1.37;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM459860;MM459860;N#CC1(CCC2CO2)CO1;WUVJIDXUOCELHE-UHFFFAOYSA-N;139.15;0.46;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNa_SNa";;;;;;;0.87;;-2.22;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM459861;MM459861;CCC#CCC#CC1CN1;MIYZHBDMUHZWNS-UHFFFAOYSA-N;133.19;0.77;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1_SP1";;;;;;;2.08;;0.5;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM459862;MM459862;O=CC1(CCN2CC2)CC1;URCTYQRXAQWHHL-UHFFFAOYSA-N;139.2;0.67;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNa_SP1";;;;;;;0.04;;-2.54;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM459863;MM459863;NCC#CCC#CC1CN1;SVTOGJQRJUDXJO-UHFFFAOYSA-N;134.18;-0.69;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_SP1";;;;;;;0.04;;-4.1;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM459864;MM459864;N#CC1(CCN2CC2)CC1;JEAKQQBWHYFSIS-UHFFFAOYSA-N;136.2;1;;;;;DOPC;MDCG;27;0;"MARTINI bead: SN0_SP1";;;;;;;0.34;;-1.53;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM459865;MM459865;CCC#CCC#CC1CO1;UMSFHWMOAYAEOR-UHFFFAOYSA-N;134.18;1.19;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1_SNa";;;;;;;2.91;;0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM459866;MM459866;O=CC1(CCN2CC2)CN1;NGDYFPVFURJULB-UHFFFAOYSA-N;140.19;-0.77;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP2_SP1";;;;;;;-1.06;;-3.82;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM459867;MM459867;C=CC#CCC#CC1CC1;DKHJPXIJIPMYFL-UHFFFAOYSA-N;130.19;1.98;;;;;DOPC;MDCG;27;0;"MARTINI bead: C2_SC5";;;;;;;3.6;;0.34;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM459868;MM459868;N#CC1(CCN2CC2)CN1;YAKGDMVWEAUPTM-UHFFFAOYSA-N;137.19;-0.44;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP1_SP1";;;;;;;-0.79;;-3.13;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM459869;MM459869;N#CC#CCC#CC1CC1;KISXUNBHIFVWJK-UHFFFAOYSA-N;129.16;1.32;;;;;DOPC;MDCG;27;0;"MARTINI bead: N0_SC5";;;;;;;1.94;;0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM459870;MM459870;O=CC1(CCN2CC2)CO1;LHAVJIUVUGCYAC-UHFFFAOYSA-N;141.17;-0.34;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP1_SP1";;;;;;;-0.79;;-3.13;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM459871;MM459871;C=CC#CCC#CC1CN1;IIYRYWGUXLRXQW-UHFFFAOYSA-N;131.18;0.54;;;;;DOPC;MDCG;27;0;"MARTINI bead: C2_SP1";;;;;;;2;;0.33;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM459872;MM459872;N#CC1(CCN2CC2)CO1;CZJKLVQHLKFNAO-UHFFFAOYSA-N;138.17;-0.02;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNa_SP1";;;;;;;0.04;;-2.54;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM459873;MM459873;N#CC#CCC#CC1CN1;SMRNEULBGBJRFW-UHFFFAOYSA-N;130.15;-0.12;;;;;DOPC;MDCG;27;0;"MARTINI bead: N0_SP1";;;;;;;0.34;;-1.53;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM459874;MM459874;C#CC1(CCC2CC2)CC1;JDTLQAPVNXVXEK-UHFFFAOYSA-N;134.22;2.59;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC5_SC5";;;;;;;2.41;;0.64;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM459875;MM459875;C#CC1(CNC2CC2)CC1;SXTBDDKWMPOIJD-UHFFFAOYSA-N;135.21;1.15;;;;;DOPC;MDCG;27;1;"MARTINI bead: SC5_SP1";;;;;;;0.81;;-2.99;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM459876;MM459876;C=CC#CCC#CC1CO1;NWASAAKZCFXOMJ-UHFFFAOYSA-N;132.16;0.97;;;;;DOPC;MDCG;27;0;"MARTINI bead: C2_SNa";;;;;;;2.83;;0.35;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM459877;MM459877;N#CC#CCC#CC1CO1;PBTBRYWNCWDPQW-UHFFFAOYSA-N;131.13;0.31;;;;;DOPC;MDCG;27;0;"MARTINI bead: N0_SNa";;;;;;;1.17;;-1.18;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM459878;MM459878;C#CC1(COC2CC2)CC1;OSQJHKLMOPFBDP-UHFFFAOYSA-N;136.19;1.58;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC5_SP1";;;;;;;0.81;;-0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM459879;MM459879;C#CC#CCC#CC1CC1;LBANNRLANPZLSA-UHFFFAOYSA-N;128.17;1.43;;;;;DOPC;MDCG;27;0;"MARTINI bead: C2_SC5";;;;;;;3.6;;0.34;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM459880;MM459880;C#CC1(NCC2CC2)CC1;SXVCSFDOWQNLAC-UHFFFAOYSA-N;135.21;1.15;;;;;DOPC;MDCG;27;1;"MARTINI bead: SNd_SC5";;;;;;;1.64;;-1.7;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM459881;MM459881;C#CC#CCC#CC1CN1;PNTYCUFTSSJDAL-UHFFFAOYSA-N;129.16;-0.01;;;;;DOPC;MDCG;27;0;"MARTINI bead: C2_SP1";;;;;;;2;;0.33;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM459882;MM459882;C#CC1(CCC2CO2)CC1;ADUJGAPGSKLZDS-UHFFFAOYSA-N;136.19;1.58;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC5_SNa";;;;;;;1.64;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM459883;MM459883;C#CC#CCC#CC1CO1;CZOLLWYKFUTICF-UHFFFAOYSA-N;130.15;0.42;;;;;DOPC;MDCG;27;0;"MARTINI bead: C2_SNa";;;;;;;2.83;;0.35;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM459884;MM459884;C#CC1(CCC2CC2)CN1;NBPXUYMZYSDYGM-UHFFFAOYSA-N;135.21;1.15;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP1_SC5";;;;;;;0.81;;-0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM459885;MM459885;CNCC=CC#CC1CC1;UDTPTAGFEBBFDW-UHFFFAOYSA-N;135.21;1.18;;;;;DOPC;MDCG;27;1;"MARTINI bead: C5_SC5";;;;;;;2.41;;0.01;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM459886;MM459886;C#CC1(CNC2CC2)CN1;RCFFGPWYLHSPOO-UHFFFAOYSA-N;136.2;-0.29;;;;;DOPC;MDCG;27;1;"MARTINI bead: SP1_SP1";;;;;;;-0.79;;-4.56;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM459887;MM459887;CCOC=CC#CC1CC1;RMBIMOZKNOTYIV-UHFFFAOYSA-N;136.19;1.95;;;;;DOPC;MDCG;27;0;"MARTINI bead: C3_SC5";;;;;;;3.34;;0.48;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM459888;MM459888;C#CC1(CCC2CO2)CN1;SUGRMDDHQJAFQY-UHFFFAOYSA-N;137.18;0.14;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP1_SNa";;;;;;;0.04;;-2.54;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM459889;MM459889;NCCC=CC#CC1CN1;DPQVRGGUWIZWOS-UHFFFAOYSA-N;136.2;-0.13;;;;;DOPC;MDCG;27;1;"MARTINI bead: C5_SP1";;;;;;;0.81;;-3.24;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM459890;MM459890;C#CC1(CCC2CC2)CO1;ADJXVZTWMPVMIK-UHFFFAOYSA-N;136.19;1.58;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNa_SC5";;;;;;;1.64;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM459891;MM459891;FCCC=CC#CC1CN1;BMRLZAHOYHPMFB-UHFFFAOYSA-N;139.17;0.88;;;;;DOPC;MDCG;27;0;"MARTINI bead: C3_SP1";;;;;;;1.74;;0.3;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM459892;MM459892;C#CC1(CNC2CC2)CO1;ONABAFOCKFTYIJ-UHFFFAOYSA-N;137.18;0.14;;;;;DOPC;MDCG;27;1;"MARTINI bead: SNa_SP1";;;;;;;0.04;;-4.04;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM459893;MM459893;CNCC=CC#CC1CN1;ULWCXZLPFRSHSZ-UHFFFAOYSA-N;136.2;-0.26;;;;;DOPC;MDCG;27;1;"MARTINI bead: C5_SP1";;;;;;;0.81;;-2.72;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM459894;MM459894;Nc1c(F)c(=O)ncn1N;UAIRMTREAVPKRQ-UHFFFAOYSA-N;144.11;-1.32;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP1_SP3";;;;;;;-1.93;;-4.72;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM459895;MM459895;CCOC=CC#CC1CN1;MQHNGVJPYCRUDM-UHFFFAOYSA-N;137.18;0.51;;;;;DOPC;MDCG;27;0;"MARTINI bead: C3_SP1";;;;;;;1.74;;0.3;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM459896;MM459896;CCN1CC2C(C)N2C1=N;WESGCJKQLYTPDJ-UHFFFAOYSA-N;139.2;0.33;;;;;DOPC;MDCG;27;1;"MARTINI bead: SP2_SP1";;;;;;;-1.06;;-7.96;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM459897;MM459897;CCCC=CC#CC1CO1;JJKRQPBKDOLGNX-UHFFFAOYSA-N;136.19;1.74;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1_SNa";;;;;;;2.91;;0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM459898;MM459898;CCN1CC2C(C)N2C1=O;NDHSHUIVVNETNQ-UHFFFAOYSA-N;140.19;0.51;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP2_SP2";;;;;;;-1.34;;-4.31;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM459899;MM459899;CNCC=CC#CC1CO1;ZGJUXLQMZBZNKF-UHFFFAOYSA-N;137.18;0.16;;;;;DOPC;MDCG;27;1;"MARTINI bead: C5_SNa";;;;;;;1.64;;-2.16;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM459900;MM459900;CNN1CC2C(C)N2C1=N;ZFUYYJMZOMAHPL-UHFFFAOYSA-N;140.19;-0.56;;;;;DOPC;MDCG;27;1;"MARTINI bead: SP2_SP1";;;;;;;-1.06;;-7.27;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM459901;MM459901;CCOC=CC#CC1CO1;NTHUOWKCYZJGIC-UHFFFAOYSA-N;138.17;0.94;;;;;DOPC;MDCG;27;0;"MARTINI bead: C3_SNa";;;;;;;2.57;;0.45;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM459902;MM459902;C=CN1CC2C(C)N2C1=N;XFSNORSOTOQZFA-UHFFFAOYSA-N;137.19;0.45;;;;;DOPC;MDCG;27;1;"MARTINI bead: SP2_SP1";;;;;;;-1.06;;-7.73;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM459903;MM459903;C=CCC=CC#CC1CN1;NCBDQZYCPQLDBK-UHFFFAOYSA-N;133.19;1.09;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1_SP1";;;;;;;2.08;;0.5;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM459904;MM459904;CC=C1CC2C(C)C2C1C;FGAVVWCLMKYDKS-UHFFFAOYSA-N;136.24;2.85;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC1_SC4";;;;;;;4.24;;0.42;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM459905;MM459905;N=CNC=CC#CC1CN1;IJVQYQJTIGTTDE-UHFFFAOYSA-N;135.17;-0.33;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1_SP1";;;;;;;-0.79;;-6.57;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM459906;MM459906;CC=C1CC2C(C)N2C1=N;RZMOKVRTBBTSMT-UHFFFAOYSA-N;136.2;1.39;;;;;DOPC;MDCG;27;1;"MARTINI bead: SN0_SNd";;;;;;;1.17;;-4.11;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM459907;MM459907;C=CCC=CC#CC1CO1;KBZPWVIDJBRKTM-UHFFFAOYSA-N;134.18;1.52;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1_SNa";;;;;;;2.91;;0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM459908;MM459908;CC=C1CC2C(C)N2C1=O;ZYTOXYNHYAWTQZ-UHFFFAOYSA-N;137.18;0.94;;;;;DOPC;MDCG;27;0;"MARTINI bead: SN0_SNda";;;;;;;1.17;;-1.13;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM459909;MM459909;C#CCC=CC#CC1CC1;MTNZGVFIEFEEFS-UHFFFAOYSA-N;130.19;1.98;;;;;DOPC;MDCG;27;0;"MARTINI bead: C3_SC5";;;;;;;3.34;;0.48;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM459910;MM459910;CCC1=CC2C(F)C2C1C;RDMOFPGJNKYRTO-UHFFFAOYSA-N;140.2;2.56;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC1_SC5";;;;;;;3.68;;0.46;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM459911;MM459911;CC=CC=CC#CC1CC1;MISXTZQRBRHPTK-UHFFFAOYSA-N;132.21;2.53;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1_SC5";;;;;;;3.68;;0.46;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM459912;MM459912;C=CC1=CC2C(C)C2C1C;BAKOZFZWYQTNPE-UHFFFAOYSA-N;134.22;2.63;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC2_SC5";;;;;;;3.6;;0.34;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM459913;MM459913;CC=CC=CC#CC1CN1;VLEUOIYXUIIAJU-UHFFFAOYSA-N;133.19;1.09;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1_SP1";;;;;;;2.08;;0.5;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM459914;MM459914;C=CC1=CC2C(C)C2C1N;NNBFFQSVYAROCW-UHFFFAOYSA-N;135.21;1.32;;;;;DOPC;MDCG;27;1;"MARTINI bead: SNd_SC5";;;;;;;1.64;;-2.37;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM459915;MM459915;CC=CC=CC#CC1CO1;IXPDRNUFIMTDTB-UHFFFAOYSA-N;134.18;1.52;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1_SNa";;;;;;;2.91;;0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM459916;MM459916;CC1C2C=C(CO)C(=N)N12;LLVTYFKGWXSGKY-UHFFFAOYSA-N;138.17;-0.03;;;;;DOPC;MDCG;27;1;"MARTINI bead: SP2_SP1";;;;;;;-1.06;;-5.76;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM459917;MM459917;CCCC#CC#CC1CC1;USUVAHMFQIAZOP-UHFFFAOYSA-N;132.21;2.2;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1_SC5";;;;;;;3.68;;0.46;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM459918;MM459918;CCC1=CC2C(C)N2C1=O;VZIVCKRBZDRSDG-UHFFFAOYSA-N;137.18;0.94;;;;;DOPC;MDCG;27;0;"MARTINI bead: SN0_SP1";;;;;;;0.34;;-1.53;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM459919;MM459919;NCCC#CC#CC1CC1;GCCVYOKNRRPSEB-UHFFFAOYSA-N;133.19;0.75;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_SC5";;;;;;;1.64;;-2.24;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM459920;MM459920;C=CC1=CC2C(C)N2C1=N;MFHINLTZRGUZEB-UHFFFAOYSA-N;134.18;1.16;;;;;DOPC;MDCG;27;1;"MARTINI bead: SP1_SP1";;;;;;;-0.79;;-5.19;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM459921;MM459921;OCCC#CC#CC1CC1;WLBXZMPIJDFYHM-UHFFFAOYSA-N;134.18;0.79;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda_SC5";;;;;;;1.64;;0.05;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM459922;MM459922;C=CC1=CC2C(C)N2C1=O;QTWIVYNXJTYJOJ-UHFFFAOYSA-N;135.17;0.71;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP1_SP1";;;;;;;-0.79;;-3.13;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM459923;MM459923;FCCC#CC#CC1CC1;ZZLDMQCBHHCPOM-UHFFFAOYSA-N;136.17;1.76;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4_SC5";;;;;;;2.97;;0.45;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM459924;MM459924;CCC1=C(C)C2C(C)C2C1;IKNZIUSDNRJUOG-UHFFFAOYSA-N;136.24;3;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC1_SC5";;;;;;;3.68;;0.46;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM459925;MM459925;CNCC#CC#CC1CC1;DBHXBIROBRUXNS-UHFFFAOYSA-N;133.19;0.62;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_SC5";;;;;;;1.64;;-1.27;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM459926;MM459926;CCC1=C(C)C2C(N)C2C1;WGOHWZCKPBZNLD-UHFFFAOYSA-N;137.23;1.69;;;;;DOPC;MDCG;27;1;"MARTINI bead: SC1_SP1";;;;;;;2.08;;-0.98;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM459927;MM459927;COCC#CC#CC1CC1;KXQWTRCDWBXVOG-UHFFFAOYSA-N;134.18;1.05;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_SC5";;;;;;;2.41;;0.64;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM459928;MM459928;C=CC1=C(C)C2C(N)C2C1;KPLBPHYEMIOKLS-UHFFFAOYSA-N;135.21;1.47;;;;;DOPC;MDCG;27;1;"MARTINI bead: SC3_SP1";;;;;;;1.74;;-1.91;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM459929;MM459929;CC1(C)C2N=C(C=O)NC21;SEGUCMVRZKKNME-UHFFFAOYSA-N;138.17;-0.04;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC4_SP2";;;;;;;1.09;;-0.38;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM459930;MM459930;CCCC#CC#CC1CN1;OZDSYZDWXWPBHX-UHFFFAOYSA-N;133.19;0.77;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1_SP1";;;;;;;2.08;;0.49;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM459931;MM459931;NCCC#CC#CC1CN1;AESKYGARWOBPTL-UHFFFAOYSA-N;134.18;-0.69;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_SP1";;;;;;;0.04;;-4.97;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM459932;MM459932;CC1=C(C=O)CC2C(C)N12;JTWIOVLWDOEDAJ-UHFFFAOYSA-N;137.18;0.94;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP1_SP1";;;;;;;-0.79;;-3.13;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM459933;MM459933;C=CCC(C#N)NN=CC;HUSYPVJRODEGML-UHFFFAOYSA-N;137.19;1.05;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nd_N0";;;;;;;1.17;;-1.04;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM459934;MM459934;CC1=C(C#N)CC2C(C)N12;HIPKZRNESCHWKC-UHFFFAOYSA-N;134.18;1.26;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP1_SP1";;;;;;;-0.79;;-3.13;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM459935;MM459935;Cn1ncc(F)c(N)c1=N;SFXYRTOZUATVGA-UHFFFAOYSA-N;142.14;-0.38;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP1_SP2";;;;;;;-1.06;;-3.82;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM459936;MM459936;CC1C2CC(C#N)=C(N)N12;MLQXVPBLURSHMP-UHFFFAOYSA-N;135.17;0.16;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP1_SP1";;;;;;;-0.79;;-3.13;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM459937;MM459937;CNCC#CC#CC1CN1;PDOCHVGHPBEVGP-UHFFFAOYSA-N;134.18;-0.82;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_SP1";;;;;;;0.04;;-3.99;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM459938;MM459938;CNN=CCC(C#N)=CF;OYOZIZXCEVFKAM-UHFFFAOYSA-N;141.15;0.96;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nd_Na";;;;;;;0.87;;-1.88;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM459939;MM459939;COCC#CC#CC1CN1;JTAHWIVAFRHURY-UHFFFAOYSA-N;135.17;-0.39;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_SP1";;;;;;;0.81;;-0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM459940;MM459940;C#CCNN=C(C#C)CC;QNWQLKJLMJYZST-UHFFFAOYSA-N;134.18;0.61;;;;;DOPC;MDCG;27;0;"MARTINI bead: C3_P3";;;;;;;0.6;;-0.8;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM459941;MM459941;CCCC#CC#CC1CO1;ZSGWMUAEDKIUBV-UHFFFAOYSA-N;134.18;1.19;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1_SNa";;;;;;;2.91;;0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM459942;MM459942;ON=c1occ(C2CC2)o1;JXNNKJZUOOVBJR-UHFFFAOYSA-N;141.13;1.04;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP2_SC5";;;;;;;0.54;;-1.09;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM459943;MM459943;NCCC#CC#CC1CO1;HDNPSRBHQBUGBE-UHFFFAOYSA-N;135.17;-0.26;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_SNa";;;;;;;0.87;;-4.23;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM459944;MM459944;C#CC(C#N)=C(C)NN=C;AEVIZUISFQGPLN-UHFFFAOYSA-N;133.15;0.62;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_C5";;;;;;;0.81;;-0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM459945;MM459945;OCCC#CC#CC1CO1;YHUWYBDGYMQZFO-UHFFFAOYSA-N;136.15;-0.23;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda_SNa";;;;;;;0.87;;-1.99;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM459946;MM459946;C#CC1(NC)CNN=C1C;CPCLEYWSQPHRBQ-UHFFFAOYSA-N;137.19;-0.44;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP2_SP1";;;;;;;-1.06;;-3.82;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM459947;MM459947;CCC12CC1N=C(C=O)N2;HROGSTGWSXXRSK-UHFFFAOYSA-N;138.17;0.11;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC3_SP2";;;;;;;1.46;;-0.15;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM459948;MM459948;CNCC#CC#CC1CO1;TTWFHJKXDIIWDS-UHFFFAOYSA-N;135.17;-0.39;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_SNa";;;;;;;0.87;;-3.23;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM459949;MM459949;C#CC12CC(C1)C(C)=NN2;KJOUJESULKICDF-UHFFFAOYSA-N;134.18;0.75;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP1_SNd";;;;;;;0.04;;-2.63;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM459950;MM459950;COCC#CC#CC1CO1;BXJUHUKYAVNXAT-UHFFFAOYSA-N;136.15;0.04;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_SNa";;;;;;;1.64;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM459951;MM459951;NN=c1onc(C2CO2)o1;FHMCAXVQHZNKDU-UHFFFAOYSA-N;143.1;-0.89;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP2_SP1";;;;;;;-1.06;;-3.82;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM459952;MM459952;C=CCC#CC#CC1CC1;XTDFWXULWGEMOK-UHFFFAOYSA-N;130.19;1.98;;;;;DOPC;MDCG;27;0;"MARTINI bead: C3_SC5";;;;;;;3.34;;0.48;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM459953;MM459953;C=Cc1onc(CC)c1N;HKIAANSUOSPRSQ-UHFFFAOYSA-N;138.17;1.46;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNda_SN0";;;;;;;1.17;;-1.13;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM459954;MM459954;O=CCC#CC#CC1CC1;PHGOALIJJXSEGT-UHFFFAOYSA-N;132.16;0.99;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_SC5";;;;;;;2.41;;0.64;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM459955;MM459955;ON=c1occ(N2CC2)o1;MMNKDDBRXSQCRR-UHFFFAOYSA-N;142.11;-0.02;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP2_SP2";;;;;;;-1.34;;-4.31;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM459956;MM459956;N#CCC#CC#CC1CC1;CMRGOQUBVWWJIQ-UHFFFAOYSA-N;129.16;1.32;;;;;DOPC;MDCG;27;0;"MARTINI bead: N0_SC5";;;;;;;1.94;;0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM459957;MM459957;NN=c1onc(N2CC2)o1;QKZSAHJJAIJIER-UHFFFAOYSA-N;142.12;-1.14;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP2_SP2";;;;;;;-1.34;;-4.31;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM459958;MM459958;C=CCC#CC#CC1CN1;UXUREBDFJITVSI-UHFFFAOYSA-N;131.18;0.54;;;;;DOPC;MDCG;27;0;"MARTINI bead: C3_SP1";;;;;;;1.74;;0.3;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM459959;MM459959;CCC1C2CC(CF)CC12;SPNLPIYUYUPGFJ-UHFFFAOYSA-N;142.22;2.64;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC3_SC3";;;;;;;4.27;;0.2;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM459960;MM459960;N=c1nnc(=O)occ1N;BVHNEFWMOOKSQF-UHFFFAOYSA-N;140.1;-1.51;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP3_SP2";;;;;;;-2.2;;-5.19;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM459961;MM459961;NCC1CC2C(CN)C2C1;LFWMCOJHYFZHFK-UHFFFAOYSA-N;140.23;0.18;;;;;DOPC;MDCG;27;1;"MARTINI bead: SC5_SNd";;;;;;;1.64;;-2.99;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM459962;MM459962;C=NN1CC(C)C(=O)C1C;MPIYCZJEDWRKQR-UHFFFAOYSA-N;140.19;0.51;;;;;DOPC;MDCG;27;0;"MARTINI bead: SN0_SP2";;;;;;;0.06;;-2.21;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM459963;MM459963;NCC1C2CC(CF)CC12;QETBZYYFIHPHEE-UHFFFAOYSA-N;143.21;1.19;;;;;DOPC;MDCG;27;1;"MARTINI bead: SNd_SC3";;;;;;;2.57;;-1.51;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM459964;MM459964;C=CCC#CC#CC1CO1;CMGFGTDEWAIZHT-UHFFFAOYSA-N;132.16;0.97;;;;;DOPC;MDCG;27;0;"MARTINI bead: C3_SNa";;;;;;;2.57;;0.45;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM459965;MM459965;NCC1CC2C(CO)C2C1;UZQKNGFPKXVPMQ-UHFFFAOYSA-N;141.21;0.21;;;;;DOPC;MDCG;27;1;"MARTINI bead: SC5_SNda";;;;;;;1.64;;-2.69;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM459966;MM459966;O=CCC#CC#CC1CO1;DEWOVOPMJGRCRT-UHFFFAOYSA-N;134.13;-0.02;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_SNa";;;;;;;1.64;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM459967;MM459967;CCC1C2CC(NC)CC12;ICDBHFBTRFQOGT-UHFFFAOYSA-N;139.24;1.64;;;;;DOPC;MDCG;27;1;"MARTINI bead: SC3_SNd";;;;;;;2.57;;-1.88;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM459968;MM459968;N#CCC#CC#CC1CO1;XKHOGCIVDITZAL-UHFFFAOYSA-N;131.13;0.31;;;;;DOPC;MDCG;27;0;"MARTINI bead: N0_SNa";;;;;;;1.17;;-1.18;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM459969;MM459969;CNC1CC2C(CN)C2C1;TXHUXIDAYKNHTN-UHFFFAOYSA-N;140.23;0.19;;;;;DOPC;MDCG;27;1;"MARTINI bead: SNd_SNd";;;;;;;0.87;;-5.44;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM459970;MM459970;C#CCC#CC#CC1CC1;RKYKNTALDXAKHK-UHFFFAOYSA-N;128.17;1.43;;;;;DOPC;MDCG;27;0;"MARTINI bead: C3_SC5";;;;;;;3.34;;0.48;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM459971;MM459971;CNC1CC2C(CO)C2C1;FLLUOZYCTCSYJQ-UHFFFAOYSA-N;141.21;0.22;;;;;DOPC;MDCG;27;1;"MARTINI bead: SNd_SNda";;;;;;;0.87;;-5.09;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM459972;MM459972;C#CCC#CC#CC1CN1;QCNPPCDCCCVVLO-UHFFFAOYSA-N;129.16;-0.01;;;;;DOPC;MDCG;27;0;"MARTINI bead: C3_SP1";;;;;;;1.74;;0.3;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM459973;MM459973;CCC1C2CC(OC)CC12;ZRFSANOUJOLXAR-UHFFFAOYSA-N;140.23;2.07;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC3_SC5";;;;;;;3.34;;0.48;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM459974;MM459974;C#CCC#CC#CC1CO1;OAGASNRAZJSWKP-UHFFFAOYSA-N;130.15;0.42;;;;;DOPC;MDCG;27;0;"MARTINI bead: C3_SNa";;;;;;;2.57;;0.45;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM459975;MM459975;COC1CC2C(CN)C2C1;XPPHDCANAXQPKJ-UHFFFAOYSA-N;141.21;0.62;;;;;DOPC;MDCG;27;1;"MARTINI bead: SC5_SNd";;;;;;;1.64;;-2.69;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM459976;MM459976;CC=CC#CC#CC1CC1;GRFNXBNCNAZKRQ-UHFFFAOYSA-N;130.19;1.98;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1_SC5";;;;;;;3.68;;0.46;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM459977;MM459977;NN=CC#CC#CC1CC1;NJPPATGZBFQAOR-UHFFFAOYSA-N;132.17;0.35;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nd_SC5";;;;;;;1.64;;0.02;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM459978;MM459978;CNC1C2CC(CN)CC21;VJRRRAXCLMUVGZ-UHFFFAOYSA-N;140.23;0.19;;;;;DOPC;MDCG;27;1;"MARTINI bead: SNd_SC5";;;;;;;1.64;;-3.03;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM459979;MM459979;ON=CC#CC#CC1CC1;NCRBRSXRZPLKAM-UHFFFAOYSA-N;133.15;0.86;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda_SC5";;;;;;;1.64;;0.05;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM459980;MM459980;CNC1C2CC(CO)CC21;QAFHWAYJCYXDQV-UHFFFAOYSA-N;141.21;0.22;;;;;DOPC;MDCG;27;1;"MARTINI bead: SNd_SC5";;;;;;;1.64;;-2.76;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM459981;MM459981;CNC1C2CC(OC)CC21;XQFULVFLQTVWDK-UHFFFAOYSA-N;141.21;0.63;;;;;DOPC;MDCG;27;1;"MARTINI bead: SNd_SC5";;;;;;;1.64;;-2.75;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM459982;MM459982;CC=CC#CC#CC1CN1;UNCHZQRJKWKAPE-UHFFFAOYSA-N;131.18;0.54;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1_SP1";;;;;;;2.08;;0.49;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM459983;MM459983;NN=CC#CC#CC1CN1;NAHBNTTUSIBTEE-UHFFFAOYSA-N;133.15;-1.09;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nd_SP1";;;;;;;0.04;;-2.63;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM459984;MM459984;CCN1CC2C(CN)C2C1;LXVNCSBLWUMPCJ-UHFFFAOYSA-N;140.23;0.14;;;;;DOPC;MDCG;27;1;"MARTINI bead: SNd_SNd";;;;;;;0.87;;-5.08;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM459985;MM459985;CC=CC#CC#CC1CO1;PNQRYAPPEQFWQH-UHFFFAOYSA-N;132.16;0.97;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1_SNa";;;;;;;2.91;;0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM459986;MM459986;CCC1CC2C(C1)N2CC;CRDHEDSLHWPIAI-UHFFFAOYSA-N;139.24;1.88;;;;;DOPC;MDCG;27;1;"MARTINI bead: SC1_SNd";;;;;;;2.91;;0.45;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM459987;MM459987;CCC=NNC(C#N)CC;HEQNUDMTRXVRHI-UHFFFAOYSA-N;139.2;1.27;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nd_N0";;;;;;;1.17;;-1.04;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM459988;MM459988;C=NNC1CC1N(C)C=O;QACMPRKPAHZVKB-UHFFFAOYSA-N;141.17;-0.58;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_SNd";;;;;;;-0.24;;-3.16;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM459989;MM459989;CCC1CC2C(CC)N2C1;KTVRSXVLZBKMGK-UHFFFAOYSA-N;139.24;1.88;;;;;DOPC;MDCG;27;1;"MARTINI bead: SN0_SNd";;;;;;;1.17;;-2.38;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM459990;MM459990;CC#CC#CC#CC1CC1;OCPGYRPPQVVYAT-UHFFFAOYSA-N;128.17;1.43;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1_SC5";;;;;;;3.68;;0.46;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM459991;MM459991;NCC1CC2C(CN)N2C1;GOQBZYFNCCXLPX-UHFFFAOYSA-N;141.22;-1.02;;;;;DOPC;MDCG;27;1;"MARTINI bead: SP2_SP2";;;;;;;-1.34;;-6.88;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM459992;MM459992;CC#CC#CC#CC1CN1;FANQMOPPZVXICA-UHFFFAOYSA-N;129.16;-0.01;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1_SP1";;;;;;;2.08;;0.49;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM459993;MM459993;CCC1C2CN(C=N)CC12;HKJAOWCMCKEXMI-UHFFFAOYSA-N;138.21;1.18;;;;;DOPC;MDCG;27;1;"MARTINI bead: SC3_SP1";;;;;;;1.74;;-3.41;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM459994;MM459994;CC#CC#CC#CC1CO1;KXQIMVBQHDCQBE-UHFFFAOYSA-N;130.15;0.42;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1_SNa";;;;;;;2.91;;0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM459995;MM459995;NCC1C2CN(C=O)CC12;MUMTUWFGCPROFG-UHFFFAOYSA-N;140.19;-0.72;;;;;DOPC;MDCG;27;1;"MARTINI bead: SNd_SP1";;;;;;;0.04;;-5.12;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM459996;MM459996;C#CC1C(CN)C1CCC;FOAQRGBWSQXUOA-UHFFFAOYSA-N;137.23;1.24;;;;;DOPC;MDCG;27;1;"MARTINI bead: C3_SNd";;;;;;;2.57;;-1.48;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM459997;MM459997;C=NN1CC2C(CC)C2C1;ABDZBJVZIGIGHW-UHFFFAOYSA-N;138.21;1.19;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC3_SP1";;;;;;;1.74;;0.29;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM459998;MM459998;C#CC1C(CCC)C1NC;NVNQTQNJXFAGID-UHFFFAOYSA-N;137.23;1.25;;;;;DOPC;MDCG;27;1;"MARTINI bead: C3_SP1";;;;;;;1.74;;-1.68;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM459999;MM459999;CNC1C2CN(C=N)CC21;APPNJXFGPXSWLW-UHFFFAOYSA-N;139.2;-0.26;;;;;DOPC;MDCG;27;1;"MARTINI bead: SNd_SP1";;;;;;;0.04;;-6.68;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM460000;MM460000;C#CC1C(CC)C1CC=C;VZLQTCRQRIOOJP-UHFFFAOYSA-N;134.22;2.47;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC4_C4";;;;;;;3.53;;0.53;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM460001;MM460001;C=NN1CC2C(C1)C2NC;FLTLYQXJGYETMS-UHFFFAOYSA-N;139.2;-0.25;;;;;DOPC;MDCG;27;1;"MARTINI bead: SNd_SP1";;;;;;;0.04;;-5.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM460002;MM460002;C#CC1C(CF)C1CC#N;HKNHDXJZLJMMKH-UHFFFAOYSA-N;137.16;1.36;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNa_P1";;;;;;;0.04;;-2.54;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM460003;MM460003;CC=COCON=CNN;HCOOEFCMLPFMQF-UHFFFAOYSA-N;145.16;-0.08;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4_P4";;;;;;;0.15;;-2.18;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM460004;MM460004;C#CC1C(C=O)C1CCC;AMIPYNPGDZQPHE-UHFFFAOYSA-N;136.19;1.48;;;;;DOPC;MDCG;27;0;"MARTINI bead: C3_SNa";;;;;;;2.57;;0.45;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM460005;MM460005;CCC=NNCC#CCF;JBXBAEFMFSFYKY-UHFFFAOYSA-N;142.18;0.94;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nd_Na";;;;;;;0.87;;-1.88;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM460006;MM460006;CC#CCNC(C#N)=NC;WMHVRPPWFXHCAA-UHFFFAOYSA-N;135.17;0.15;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_C4";;;;;;;1.09;;-0.38;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM460007;MM460007;CCC1CC2C(C=O)C2C1;CYLSZQTXGPDXMU-UHFFFAOYSA-N;138.21;1.87;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC1_SNa";;;;;;;2.91;;0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM460008;MM460008;C#CC1C(C=C)C1CC#N;XMEWCYYKOIXLME-UHFFFAOYSA-N;131.18;1.58;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC5_P1";;;;;;;0.81;;-0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM460009;MM460009;C=CC1C2CC(CC)NC12;FPBFKYORMRBRDA-UHFFFAOYSA-N;137.23;1.56;;;;;DOPC;MDCG;27;1;"MARTINI bead: SNd_SC4";;;;;;;2.2;;-3.17;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM460010;MM460010;C#CC1C(C#N)C1CC#N;AUYKOWRHTBJOKB-UHFFFAOYSA-N;130.15;0.92;;;;;DOPC;MDCG;27;0;"MARTINI bead: SN0_P1";;;;;;;0.34;;-1.53;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM460011;MM460011;CCC1CC2C(C#N)C2N1;OKPFRCLCCYNLBI-UHFFFAOYSA-N;136.2;0.9;;;;;DOPC;MDCG;27;1;"MARTINI bead: SNd_SN0";;;;;;;1.17;;-2.33;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM460012;MM460012;C#CCC1C(C#C)C1C#N;VEQSTNXHRZUHLJ-UHFFFAOYSA-N;129.16;1.03;;;;;DOPC;MDCG;27;0;"MARTINI bead: N0_SN0";;;;;;;1.47;;-0.05;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM460013;MM460013;CCC1CC2C(C1)N2C=N;YUFGKOXRHFKMPM-UHFFFAOYSA-N;138.21;1.47;;;;;DOPC;MDCG;27;1;"MARTINI bead: SC1_SP2";;;;;;;1.8;;-1.75;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM460014;MM460014;C#CC1C(C#C)C1CCC;VFWOLRYPZZQXKF-UHFFFAOYSA-N;132.21;1.92;;;;;DOPC;MDCG;27;0;"MARTINI bead: C3_SN0";;;;;;;2.87;;0.37;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM460015;MM460015;N=CN1C2CC(CN)CC21;FVJFHKQEKNDJNW-UHFFFAOYSA-N;139.2;0.01;;;;;DOPC;MDCG;27;1;"MARTINI bead: SC5_SP2";;;;;;;0.54;;-4.1;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM460016;MM460016;C#CC1C(C#C)C1CCN;BSSVXNQBEJNGRY-UHFFFAOYSA-N;133.19;0.46;;;;;DOPC;MDCG;27;1;"MARTINI bead: SNd_N0";;;;;;;1.17;;-3.82;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM460017;MM460017;N=CN1C2CC(CO)CC21;UFUDFWCCVDYWDO-UHFFFAOYSA-N;140.19;0.05;;;;;DOPC;MDCG;27;1;"MARTINI bead: SC5_SP2";;;;;;;0.54;;-3.94;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM460018;MM460018;CON=CCC(C#N)=CF;GFCFZAQGVPHYMK-UHFFFAOYSA-N;142.13;1.39;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_Na";;;;;;;0.87;;-2.22;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM460019;MM460019;N=CN1C2CC(CF)CC21;IYRKFPFPIIHBSP-UHFFFAOYSA-N;142.18;1.03;;;;;DOPC;MDCG;27;1;"MARTINI bead: SC3_SP2";;;;;;;1.46;;-2.88;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM460020;MM460020;C#CC1C(C#C)C1CC=O;JHSHUTSOLIACCE-UHFFFAOYSA-N;132.16;0.7;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_SN0";;;;;;;1.17;;-1.18;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM460021;MM460021;CCC1CC2C(C1)N2C=O;KESSQEDVLUAATQ-UHFFFAOYSA-N;139.2;1.02;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC1_SP2";;;;;;;1.8;;0.4;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM460022;MM460022;C#CC1C(C#C)C1CC#N;HKBCGCRZTVTNRA-UHFFFAOYSA-N;129.16;1.03;;;;;DOPC;MDCG;27;0;"MARTINI bead: SN0_P1";;;;;;;0.34;;-1.53;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM460023;MM460023;NCC1CC2C(C1)N2C=O;BEYHJTIUCPXMPG-UHFFFAOYSA-N;140.19;-0.44;;;;;DOPC;MDCG;27;1;"MARTINI bead: SC5_SP2";;;;;;;0.54;;-3.59;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM460024;MM460024;C#CCC1C(C#C)C1C#C;RFFNHQHMIVASKJ-UHFFFAOYSA-N;128.17;1.14;;;;;DOPC;MDCG;27;0;"MARTINI bead: N0_SN0";;;;;;;1.47;;-0.05;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM460025;MM460025;O=CN1C2CC(CO)CC21;PAKIGLSJNCGDOP-UHFFFAOYSA-N;141.17;-0.4;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC5_SP2";;;;;;;0.54;;-1.09;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM460026;MM460026;C#CC1C(C=CC)C1CC;CWTRNGCALKFKLV-UHFFFAOYSA-N;134.22;2.47;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC4_C2";;;;;;;4.16;;0.44;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM460027;MM460027;O=CN1C2CC(CF)CC21;MKSRCVQPIRUXRI-UHFFFAOYSA-N;143.16;0.58;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC3_SP2";;;;;;;1.46;;-0.15;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM460028;MM460028;C#CC1C(CC)N1N=CC;UYEOBPWZNUOGTC-UHFFFAOYSA-N;136.2;1.09;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP1_P1";;;;;;;-0.79;;-3.13;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM460029;MM460029;COC1CC2C(C1)N2C=N;RZYCYTYDFUGFDE-UHFFFAOYSA-N;140.19;0.46;;;;;DOPC;MDCG;27;1;"MARTINI bead: SC5_SP2";;;;;;;0.54;;-3.85;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM460030;MM460030;C#CC1C(C#C)C1C=NN;VJTIETWRTVZMBB-UHFFFAOYSA-N;132.17;0.06;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nd_SN0";;;;;;;1.17;;-1.04;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM460031;MM460031;COC1CC2C(C1)N2C=O;WZWYLUGWWVIOQI-UHFFFAOYSA-N;141.17;;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC5_SP2";;;;;;;0.54;;-1.09;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM460032;MM460032;C#CC1C(C#C)N1C=NC;PBDBUXRBRDWAQN-UHFFFAOYSA-N;132.17;-0.04;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_SP1";;;;;;;-1.06;;-3.82;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM460033;MM460033;C=NN1C2CC(CC)CC21;FWDOULCMBHMCNE-UHFFFAOYSA-N;138.21;1.47;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC1_SP2";;;;;;;1.8;;0.4;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM460034;MM460034;CC(=O)n1ncn(N)c1=O;JSCRFEJUHWBSDT-UHFFFAOYSA-N;142.12;-1.58;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP3_SP2";;;;;;;-2.2;;-5.19;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM460035;MM460035;C=NN1C2CC(CN)CC21;WMENHZZZPGCFRI-UHFFFAOYSA-N;139.2;0.02;;;;;DOPC;MDCG;27;1;"MARTINI bead: SC5_SP2";;;;;;;0.54;;-3.88;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM460036;MM460036;CC1C(CF)C1CCCF;HKDONYWJJLBFGR-UHFFFAOYSA-N;148.2;2.59;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC5_C4";;;;;;;2.97;;0.45;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM460037;MM460037;CC=NNCC#CC=NN;VAFKMLGGVRWUJU-UHFFFAOYSA-N;138.17;-0.47;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nd_Nd";;;;;;;0.87;;-2.11;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM460038;MM460038;CCC1C(N)C1CCCN;PTHMEENAENVDEF-UHFFFAOYSA-N;142.25;0.71;;;;;DOPC;MDCG;27;1;"MARTINI bead: SNd_Nd";;;;;;;0.87;;-5.14;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM460039;MM460039;C=NN1C2CC(CF)CC21;HUESHMHQFYSOMP-UHFFFAOYSA-N;142.18;1.03;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC3_SP2";;;;;;;1.46;;-0.15;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM460040;MM460040;CCC1C(N)C1CCCF;DDKIJXDSXJNUIX-UHFFFAOYSA-N;145.22;1.72;;;;;DOPC;MDCG;27;1;"MARTINI bead: SNd_C4";;;;;;;2.2;;-2.08;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM460041;MM460041;C=NN1C2CC(NC)CC21;JZDZLPXWOJLISS-UHFFFAOYSA-N;139.2;0.04;;;;;DOPC;MDCG;27;1;"MARTINI bead: SNd_SP2";;;;;;;-0.24;;-5.89;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM460042;MM460042;CCCCC1C(N)C1CN;TWGSVWKHRPXXNB-UHFFFAOYSA-N;142.25;0.71;;;;;DOPC;MDCG;27;1;"MARTINI bead: C1_SP2";;;;;;;1.8;;-1.56;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM460043;MM460043;C=NN1C2CC(OC)CC21;WMLRKOBFOWCTIU-UHFFFAOYSA-N;140.19;0.46;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC5_SP2";;;;;;;0.54;;-1.09;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM460044;MM460044;CC=CC1CN=C(NN)O1;OVWRXEDALRJHJL-UHFFFAOYSA-N;141.17;-0.22;;;;;DOPC;MDCG;27;0;"MARTINI bead: SN0_SP2";;;;;;;0.06;;-2.21;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM460045;MM460045;CCN1CC2C(C1)N2C=N;ZORDWIOLZCQXHO-UHFFFAOYSA-N;139.2;-0.02;;;;;DOPC;MDCG;27;1;"MARTINI bead: SNd_SP2";;;;;;;-0.24;;-5.39;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM460046;MM460046;CCCCC1C(O)C1CO;JGGGFISULLHEBS-UHFFFAOYSA-N;144.21;0.78;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1_SP2";;;;;;;1.8;;0.4;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM460047;MM460047;C#CCCC=NNCC#C;SVPUOIXFUYCKNW-UHFFFAOYSA-N;134.18;0.61;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_P1";;;;;;;0.81;;-0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM460048;MM460048;CNCCC1C(C)C1NC;WKLCWOSAZCHKJG-UHFFFAOYSA-N;142.25;0.45;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_SNd";;;;;;;0.87;;-5.44;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM460049;MM460049;C#CC(C#N)=NNC1CC1;DCNDQYSYQJIHRD-UHFFFAOYSA-N;133.15;0.25;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_SP1";;;;;;;-0.79;;-3.13;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM460050;MM460050;CCNCC1C(C)C1CN;TXYQULXKVABYJU-UHFFFAOYSA-N;142.25;0.44;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_SNd";;;;;;;0.87;;-5.47;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM460051;MM460051;CCC1CC2C(C#N)N2C1;ACVHASGDHIYLEK-UHFFFAOYSA-N;136.2;0.99;;;;;DOPC;MDCG;27;0;"MARTINI bead: SN0_SP2";;;;;;;0.06;;-2.21;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM460052;MM460052;CCNCC1C(C)C1NC;YNCKJJGITPVQSI-UHFFFAOYSA-N;142.25;0.45;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_SNd";;;;;;;0.87;;-5.14;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM460053;MM460053;CCNC=C(F)C#N;ROUNTYOGPZPCKW-UHFFFAOYSA-N;114.12;0.93;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_C5";;;;;;;0.81;;-0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM460054;MM460054;CCOCC1C(C)C1CC;KSZSISGDMPWYPE-UHFFFAOYSA-N;142.24;2.32;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_SC3";;;;;;;3.34;;0.48;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM460055;MM460055;C=NNC(C)(C)C#CC;DHZDTDWQBMKRTA-UHFFFAOYSA-N;124.19;0.99;;;;;DOPC;MDCG;27;0;"MARTINI bead: N0_Nd";;;;;;;1.17;;-1.04;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM460056;MM460056;CCOCC1C(C)C1CN;VBXZPLJJCCRMDR-UHFFFAOYSA-N;143.23;0.86;;;;;DOPC;MDCG;27;1;"MARTINI bead: Na_SNd";;;;;;;0.87;;-4.67;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM460057;MM460057;C=CC1C2CC(NC)CN12;WREBCDHCPSDWBA-UHFFFAOYSA-N;138.21;0.22;;;;;DOPC;MDCG;27;1;"MARTINI bead: SP1_SP1";;;;;;;-0.79;;-5.68;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM460058;MM460058;CCCNC1C(N)C1CC;RGSOIAPQQBCXEH-UHFFFAOYSA-N;142.25;0.72;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_SNd";;;;;;;0.87;;-4.69;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM460059;MM460059;C=CC1C2CC(OC)CN12;BJRYVBYMOPMAIM-UHFFFAOYSA-N;139.2;0.64;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP1_SP1";;;;;;;-0.79;;-3.13;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM460060;MM460060;COC1C(O)C1NCCN;OJIFKMBSUFNZIG-UHFFFAOYSA-N;146.19;-1.71;;;;;DOPC;MDCG;27;1;"MARTINI bead: SP1_P3";;;;;;;-1.93;;-6.7;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM460061;MM460061;COC1CC2C(C#N)N2C1;KQISAAFYIOVAQQ-UHFFFAOYSA-N;138.17;-0.02;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP1_SP2";;;;;;;-1.06;;-3.82;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM460062;MM460062;NCC1C(N)C1OCCO;ZYUXBBARZCYUOB-UHFFFAOYSA-N;146.19;-1.72;;;;;DOPC;MDCG;27;1;"MARTINI bead: SP2_P2";;;;;;;-1.34;;-6.74;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM460063;MM460063;C=CC1CC2C(C=C)C2C1;MSESXTZPICEYFJ-UHFFFAOYSA-N;134.22;2.63;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC2_SC4";;;;;;;4.16;;0.44;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM460064;MM460064;CCC1C(O)C1OCCO;XCKKSTULSAOVHO-UHFFFAOYSA-N;146.19;-0.24;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNda_P2";;;;;;;-0.24;;-3.31;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM460065;MM460065;C=CC1C2CC(C=O)NC12;JKCQDKGCQZVCTA-UHFFFAOYSA-N;137.18;0.35;;;;;DOPC;MDCG;27;1;"MARTINI bead: SC4_SP1";;;;;;;1.37;;-1.66;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM460066;MM460066;CCCOC1C(O)C1CN;FPZOJRPTVLTGHH-UHFFFAOYSA-N;145.2;-0.27;;;;;DOPC;MDCG;27;1;"MARTINI bead: Na_SP2";;;;;;;-0.24;;-5.58;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM460067;MM460067;C=CC1C2CN(C=N)CC12;HYWRTAJYSJZAIT-UHFFFAOYSA-N;136.2;0.96;;;;;DOPC;MDCG;27;1;"MARTINI bead: SC4_SP1";;;;;;;1.37;;-4.02;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM460068;MM460068;CNC1C(O)C1OCCO;BLSTUZUAUXWAPS-UHFFFAOYSA-N;147.17;-1.67;;;;;DOPC;MDCG;27;1;"MARTINI bead: SP2_P2";;;;;;;-1.34;;-5.45;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM460069;MM460069;C=CC1C2CN(C=O)CC12;WHGGUDGKCSHJIM-UHFFFAOYSA-N;137.18;0.51;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC4_SP1";;;;;;;1.37;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM460070;MM460070;COC1C(N)C1OCCN;OACJTYCEPPCGFG-UHFFFAOYSA-N;146.19;-1.31;;;;;DOPC;MDCG;27;1;"MARTINI bead: SP1_P2";;;;;;;-1.06;;-5.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM460071;MM460071;C=CC1C2CN(N=C)CC12;FRJNZCLHKUNYMO-UHFFFAOYSA-N;136.2;0.97;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC4_SP1";;;;;;;1.37;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM460072;MM460072;COC1C(N)C1OCCO;AHBUNDPSPXQZPR-UHFFFAOYSA-N;147.17;-1.28;;;;;DOPC;MDCG;27;1;"MARTINI bead: SP1_P2";;;;;;;-1.06;;-4.91;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM460073;MM460073;C=NN1CC2C(C#N)C2C1;JVWGKNVDUGBIRF-UHFFFAOYSA-N;135.17;0.3;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP1_SN0";;;;;;;0.34;;-1.53;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM460074;MM460074;CCOCC1C(CC)N1C;LAWPLZYXVUXIRX-UHFFFAOYSA-N;143.23;1.12;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_SNd";;;;;;;0.87;;-1.88;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM460075;MM460075;C=CC1C2CN(C=N)NC12;OGDUJJPKPYBKDP-UHFFFAOYSA-N;137.19;0.21;;;;;DOPC;MDCG;27;1;"MARTINI bead: SC4_SP3";;;;;;;0.23;;-3.42;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM460076;MM460076;CCOCC1C(CN)N1C;UJHHZCGSKBQIBG-UHFFFAOYSA-N;144.22;-0.34;;;;;DOPC;MDCG;27;1;"MARTINI bead: Na_SP2";;;;;;;-0.24;;-5.17;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM460077;MM460077;CON=CNOC=NOC;LVESPADIRPIASM-UHFFFAOYSA-N;147.13;-0.31;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_P1";;;;;;;-0.79;;-3.13;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM460078;MM460078;N#CC1C2CN(C=O)NC12;FSYSRBJTSBFNJK-UHFFFAOYSA-N;137.14;-0.9;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP2_SN0";;;;;;;0.06;;-2.21;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM460079;MM460079;CCC1C(C)N1CCCN;ASCFIDFZVXHCSE-UHFFFAOYSA-N;142.25;0.82;;;;;DOPC;MDCG;27;1;"MARTINI bead: SN0_P3";;;;;;;-0.8;;-5.41;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM460080;MM460080;N=CN1CC2C(C1)N2C=N;QJQGNJWISQMJKE-UHFFFAOYSA-N;138.17;-0.43;;;;;DOPC;MDCG;27;1;"MARTINI bead: SP1_SP2";;;;;;;-1.06;;-7.26;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM460081;MM460081;N=CN1C2CN(C=O)CC21;DZNGWDYTUFDDKI-UHFFFAOYSA-N;139.16;-0.88;;;;;DOPC;MDCG;27;1;"MARTINI bead: SP2_SP1";;;;;;;-1.06;;-6.02;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM460082;MM460082;C=CCCC1C(C)C1CC;JETQWHZVIYRCDG-UHFFFAOYSA-N;138.25;3.24;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC3_C3";;;;;;;4.27;;0.2;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM460083;MM460083;N=CN1CC2C(C1)N2C=O;PPYPIDQDRADPGT-UHFFFAOYSA-N;139.16;-0.88;;;;;DOPC;MDCG;27;1;"MARTINI bead: SP1_SP2";;;;;;;-1.06;;-7.24;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM460084;MM460084;CCC1C(C)C1CCC=O;BXZQWCCEFBHDBG-UHFFFAOYSA-N;140.23;2.26;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC3_Na";;;;;;;2.57;;0.45;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM460085;MM460085;CCC1C(C)C1CCC#N;JBTTYTFNLNOHGX-UHFFFAOYSA-N;137.23;2.58;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC3_P1";;;;;;;1.74;;0.29;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM460086;MM460086;O=CN1CC2C(C1)N2C=O;KVDMNGDHRUMEHU-UHFFFAOYSA-N;140.14;-1.33;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP1_SP2";;;;;;;-1.06;;-3.82;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM460087;MM460087;CC1C(CF)C1CCC#N;OSQCKMSQRNIGRH-UHFFFAOYSA-N;141.19;2.14;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC5_P1";;;;;;;0.81;;-0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM460088;MM460088;C=NN1CC2C(C1)N2C=N;ASRIQBDELPOYPJ-UHFFFAOYSA-N;138.17;-0.42;;;;;DOPC;MDCG;27;1;"MARTINI bead: SP1_SP2";;;;;;;-1.06;;-5.95;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM460089;MM460089;C=CCCC1C(F)C1CC;QIAHDHZPAAVOOC-UHFFFAOYSA-N;142.22;2.95;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC5_C3";;;;;;;3.34;;0.48;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM460090;MM460090;C=NN1CC2C(C1)N2C=O;GFSJICSPVPJVEK-UHFFFAOYSA-N;139.16;-0.87;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP1_SP2";;;;;;;-1.06;;-3.82;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM460091;MM460091;CNC1C(C)C1CCC#N;YEAYKAUYNWBSIP-UHFFFAOYSA-N;138.21;1.14;;;;;DOPC;MDCG;27;1;"MARTINI bead: SNd_P1";;;;;;;0.04;;-5.53;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM460092;MM460092;C=NN1C2CN(C=N)CC21;FVGHDBUAHUFCBT-UHFFFAOYSA-N;138.17;-0.42;;;;;DOPC;MDCG;27;1;"MARTINI bead: SP2_SP1";;;;;;;-1.06;;-7.17;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM460093;MM460093;CCC1C(O)C1CNC=N;NXOPTQAVNPYKLU-UHFFFAOYSA-N;142.2;0.2;;;;;DOPC;MDCG;27;1;"MARTINI bead: SNda_P3";;;;;;;-1.1;;-7.88;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM460094;MM460094;C=NN1C2CN(C=O)CC21;XXZSUSUIHZQPFK-UHFFFAOYSA-N;139.16;-0.87;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP2_SP1";;;;;;;-1.06;;-3.82;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM460095;MM460095;C=NNCC1C(C)C1CC;CQSKCQSCFRNKIR-UHFFFAOYSA-N;140.23;1.48;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC3_P2";;;;;;;1.46;;-0.15;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM460096;MM460096;C=NN1CC2C(C1)N2N=C;RTTKICYINSNQHD-UHFFFAOYSA-N;138.17;-0.41;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP1_SP2";;;;;;;-1.06;;-3.82;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM460097;MM460097;CCC=NNCC=CC#N;CZKRHEAHYRBOPO-UHFFFAOYSA-N;137.19;1.05;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nd_N0";;;;;;;1.17;;-1.04;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM460098;MM460098;C#CC1CC2C(C#N)C2C1;BXIIHWHVSYYJNH-UHFFFAOYSA-N;131.18;1.42;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC4_SN0";;;;;;;2.5;;0.44;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM460099;MM460099;CNC1C(N)C1CNC=O;XQJDZSXSGFDBIC-UHFFFAOYSA-N;143.19;-1.72;;;;;DOPC;MDCG;27;1;"MARTINI bead: SP2_P3";;;;;;;-2.2;;-7.26;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM460100;MM460100;C#CC1C2CC(CC)CC12;CIXBNMZOFYRSRS-UHFFFAOYSA-N;134.22;2.3;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC1_SC5";;;;;;;3.68;;0.46;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM460101;MM460101;CCC1C(C)C1COC=O;BRNNWWPESFYSCE-UHFFFAOYSA-N;142.2;1.45;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC3_P1";;;;;;;1.74;;0.29;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM460102;MM460102;C#CC1C2CC(CC)NC12;YQUKECCFXZBIEI-UHFFFAOYSA-N;135.21;1.01;;;;;DOPC;MDCG;27;1;"MARTINI bead: SNd_SC5";;;;;;;1.64;;-3.22;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM460103;MM460103;C=COCC1C(O)C1CC;PNFXMUBZMYHZHX-UHFFFAOYSA-N;142.2;1.16;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNda_Na";;;;;;;0.87;;-1.99;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM460104;MM460104;C#CC1C2CC(CC)CN12;HMZIAEJWSFNZHP-UHFFFAOYSA-N;135.21;1.1;;;;;DOPC;MDCG;27;0;"MARTINI bead: SN0_SP3";;;;;;;-0.8;;-2.99;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM460105;MM460105;C=COCC1C(C)C1NC;SWZOACNATRDSRE-UHFFFAOYSA-N;141.21;1;;;;;DOPC;MDCG;27;1;"MARTINI bead: SNd_Na";;;;;;;0.87;;-4.56;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM460106;MM460106;C#CC1C2CC(CN)CN12;LTQJNNCFIJEFLL-UHFFFAOYSA-N;136.2;-0.35;;;;;DOPC;MDCG;27;1;"MARTINI bead: SP2_SP3";;;;;;;-2.2;;-7.62;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM460107;MM460107;C=NOCC1C(N)C1NC;VXRGZVHWHSKLFW-UHFFFAOYSA-N;143.19;-0.84;;;;;DOPC;MDCG;27;1;"MARTINI bead: SP2_P1";;;;;;;-1.06;;-6.03;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM460108;MM460108;C#CC1C2CC(NC)CN12;NXYGQEWNKCCYLS-UHFFFAOYSA-N;136.2;-0.34;;;;;DOPC;MDCG;27;1;"MARTINI bead: SP1_SNd";;;;;;;0.04;;-5.17;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM460109;MM460109;CCC1C(C)C1NCC=O;OWAJVVRSYZOYDA-UHFFFAOYSA-N;141.21;0.82;;;;;DOPC;MDCG;27;1;"MARTINI bead: SC3_P2";;;;;;;1.46;;-1.1;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM460110;MM460110;C#CC1C2CC(OC)CN12;KKXHTHDYBPPNPD-UHFFFAOYSA-N;137.18;0.09;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP1_SP3";;;;;;;-1.93;;-4.72;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM460111;MM460111;CCC1C(C)C1NCC#N;IJARWEPZQWQIOY-UHFFFAOYSA-N;138.21;1.14;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC3_P2";;;;;;;1.46;;-0.15;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM460112;MM460112;C#CC1C2CC(C=C)CN12;GJNZILLOHDIDLR-UHFFFAOYSA-N;133.19;0.88;;;;;DOPC;MDCG;27;0;"MARTINI bead: SN0_SP3";;;;;;;-0.8;;-2.99;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM460113;MM460113;C=CCNC1C(C)C1CN;KMFZPZOHJVUJLJ-UHFFFAOYSA-N;140.23;0.36;;;;;DOPC;MDCG;27;1;"MARTINI bead: SNd_Nd";;;;;;;0.87;;-4.69;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM460114;MM460114;CC=C1CC2C(CC)C2C1;WYVAYPGWLDALMV-UHFFFAOYSA-N;136.24;3;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC3_SC1";;;;;;;4.61;;0.31;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM460115;MM460115;CNC1C(C)C1NCC#N;NMNCACQRTRFQJZ-UHFFFAOYSA-N;139.2;-0.29;;;;;DOPC;MDCG;27;1;"MARTINI bead: SNd_P2";;;;;;;-0.24;;-5.03;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM460116;MM460116;CC=C1CC2C(CN)C2C1;GZOVZPVWULVQMY-UHFFFAOYSA-N;137.23;1.55;;;;;DOPC;MDCG;27;1;"MARTINI bead: SC1_SNd";;;;;;;2.91;;-0.55;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM460117;MM460117;CC1(F)C=NNC1;WOLLZUWKDRFOEX-UHFFFAOYSA-N;102.11;0.3;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNa_SP1";;;;;;;0.04;;-2.54;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM460118;MM460118;NCC1C2CC(=CF)CC12;GXQYYXPEFLRTHZ-UHFFFAOYSA-N;141.19;1.45;;;;;DOPC;MDCG;27;1;"MARTINI bead: SNd_SC4";;;;;;;2.2;;-2.21;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM460119;MM460119;CCC1C(O)C1NNC=N;GCVXJMYTORGUGU-UHFFFAOYSA-N;143.19;-0.54;;;;;DOPC;MDCG;27;1;"MARTINI bead: SNda_P4";;;;;;;-1.19;;-7.58;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM460120;MM460120;CCC1C2CC(=NN)CC12;HHQXKYWPXVYRNY-UHFFFAOYSA-N;138.21;1.37;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC3_SNd";;;;;;;2.57;;0.53;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM460121;MM460121;CCC1C(C)C1OCC#N;XWLLNMMXWJCFBA-UHFFFAOYSA-N;139.2;1.57;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC3_P1";;;;;;;1.74;;0.29;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM460122;MM460122;OCC1C2CC(=NO)CC12;LILLXMVSZNBBDG-UHFFFAOYSA-N;141.17;0.46;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNda_SNda";;;;;;;0.87;;-2.07;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM460123;MM460123;CCC1(F)C=NNC1;YTDQGEXUHVBSIX-UHFFFAOYSA-N;116.14;0.69;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNa_SP1";;;;;;;0.04;;-2.54;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM460124;MM460124;CC=C1CC2C(C1)C2NC;UBLZVEONGOVUJW-UHFFFAOYSA-N;137.23;1.56;;;;;DOPC;MDCG;27;1;"MARTINI bead: SNd_SC1";;;;;;;2.91;;-0.63;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM460125;MM460125;CCN1C(C)C1CCC#N;XGNVIPSENWNGPL-UHFFFAOYSA-N;138.21;1.38;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNd_P1";;;;;;;0.04;;-2.63;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM460126;MM460126;CNC1C2CC(=NO)CC21;CTGUEFOSUMUHME-UHFFFAOYSA-N;140.19;0.44;;;;;DOPC;MDCG;27;1;"MARTINI bead: SNd_SNda";;;;;;;0.87;;-4.58;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM460127;MM460127;CCN1C(C)C1CNC=N;QBLUNGRXDZJPSU-UHFFFAOYSA-N;141.22;0.28;;;;;DOPC;MDCG;27;1;"MARTINI bead: SNd_P3";;;;;;;-1.1;;-7.83;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM460128;MM460128;CC=C1CC2C(C1)C2OC;ZZZREIIRIAZEMM-UHFFFAOYSA-N;138.21;1.99;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNa_SC1";;;;;;;2.91;;0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM460129;MM460129;N=C1N=CC(N)=C1F;XESKVUZAGSRERT-UHFFFAOYSA-N;113.1;0.19;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP1_SNd";;;;;;;0.04;;-2.63;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM460130;MM460130;COC1C2CC(=CF)CC21;WJYWKLGZHGHOCE-UHFFFAOYSA-N;142.17;1.89;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNa_SC4";;;;;;;2.2;;0.34;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM460131;MM460131;CCC1C(C)N1CCC#N;PCAJLARYKBZEIF-UHFFFAOYSA-N;138.21;1.38;;;;;DOPC;MDCG;27;0;"MARTINI bead: SN0_P2";;;;;;;0.06;;-2.21;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM460132;MM460132;CCC1C2CC(=NN)NC12;ATOFYWQWHUVVIG-UHFFFAOYSA-N;139.2;0.28;;;;;DOPC;MDCG;27;1;"MARTINI bead: SC3_SNd";;;;;;;2.57;;-0.38;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM460133;MM460133;CC=NNC(C)(C)C#N;FBFNTZKNGDDWOR-UHFFFAOYSA-N;125.18;0.88;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nd_N0";;;;;;;1.17;;-1.04;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM460134;MM460134;CNC1C2CC(=NN)NC21;CABXABAVJFHINX-UHFFFAOYSA-N;140.19;-1.16;;;;;DOPC;MDCG;27;1;"MARTINI bead: SNd_SNd";;;;;;;0.87;;-3.62;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM460135;MM460135;C#CCNC1C(C)C1CC;XRGJUGWZECALCV-UHFFFAOYSA-N;137.23;1.25;;;;;DOPC;MDCG;27;1;"MARTINI bead: SC3_P2";;;;;;;1.46;;-1.81;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM460136;MM460136;CC=C1CC2C(CN)N2C1;TUMBAARYAXUDIJ-UHFFFAOYSA-N;138.21;0.35;;;;;DOPC;MDCG;27;1;"MARTINI bead: SN0_SP2";;;;;;;0.06;;-4.15;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM460137;MM460137;C#CCNC1C(N)C1CN;QZKAHMYJMRSCQD-UHFFFAOYSA-N;139.2;-1.51;;;;;DOPC;MDCG;27;1;"MARTINI bead: SP2_P2";;;;;;;-1.34;;-6.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM460138;MM460138;CC=C1CC2C(C#N)C2C1;MNPAJEHDZLUICR-UHFFFAOYSA-N;133.19;2.11;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC1_SN0";;;;;;;3.21;;0.46;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM460139;MM460139;C#CCNC1C(C)C1NC;RMCPQEYRMUBLJM-UHFFFAOYSA-N;138.21;-0.18;;;;;DOPC;MDCG;27;1;"MARTINI bead: SNd_P2";;;;;;;-0.24;;-5.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM460140;MM460140;CN=C1CC2C(C#N)C2N1;NQGUKDCXKREIQW-UHFFFAOYSA-N;135.17;0.15;;;;;DOPC;MDCG;27;1;"MARTINI bead: SNd_SN0";;;;;;;1.17;;-4.63;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM460141;MM460141;C#CCOC1C(C)C1CC;RSLJIQFKULNGOR-UHFFFAOYSA-N;138.21;1.68;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC3_Na";;;;;;;2.57;;0.45;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM460142;MM460142;CN=C1NC2C(C#N)C2N1;IEDLKYPAZBFLEC-UHFFFAOYSA-N;136.16;-0.94;;;;;DOPC;MDCG;27;1;"MARTINI bead: SP1_SN0";;;;;;;0.34;;-4.16;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM460143;MM460143;C#CCOC1C(O)C1NC;BKMLTHXSTDUCIU-UHFFFAOYSA-N;141.17;-1.03;;;;;DOPC;MDCG;27;1;"MARTINI bead: SP2_Na";;;;;;;-0.24;;-4.38;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM460144;MM460144;CC=C1CC2C(C1)N2C=N;XMTLUWAQJIXCAU-UHFFFAOYSA-N;136.2;1.39;;;;;DOPC;MDCG;27;1;"MARTINI bead: SC1_SP2";;;;;;;1.8;;-1.58;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM460145;MM460145;CCCCC1C(C)C1C#N;QHJYCSYICSHEDJ-UHFFFAOYSA-N;137.23;2.58;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1_SN0";;;;;;;3.21;;0.46;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM460146;MM460146;N=CN1C2CC(=CF)CC21;KZZUZNVQHWAGBG-UHFFFAOYSA-N;140.16;1.29;;;;;DOPC;MDCG;27;1;"MARTINI bead: SC4_SP2";;;;;;;1.09;;-3.02;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM460147;MM460147;CC1C(C=O)C1CCCO;GYFJMGLRVVXYNQ-UHFFFAOYSA-N;142.2;0.84;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda_SNa";;;;;;;0.87;;-1.99;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM460148;MM460148;CC=C1CC2C(C1)N2C=O;PWJMFLRZHZTQRV-UHFFFAOYSA-N;137.18;0.94;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC1_SP2";;;;;;;1.8;;0.4;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM460149;MM460149;CC1C(C#N)C1CCCO;BKOTUWSQVFMKJT-UHFFFAOYSA-N;139.2;1.16;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda_SN0";;;;;;;1.17;;-1.13;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM460150;MM460150;O=CN1C2CC(=CF)CC21;HIYANOVUFVPXMK-UHFFFAOYSA-N;141.15;0.84;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC4_SP2";;;;;;;1.09;;-0.38;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM460151;MM460151;C=CC1C(N)C1CCCN;WUCCSOIMUHWNOV-UHFFFAOYSA-N;140.23;0.48;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_SNd";;;;;;;0.87;;-5.12;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM460152;MM460152;N=CN1C2CC(=NN)CC21;KXTLBBDZKVBORR-UHFFFAOYSA-N;138.17;-0.25;;;;;DOPC;MDCG;27;1;"MARTINI bead: SNd_SP2";;;;;;;-0.24;;-5.78;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM460153;MM460153;C=CC1C(N)C1CCCO;FFRVINJKAQZSRZ-UHFFFAOYSA-N;141.21;0.52;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nda_SNd";;;;;;;0.87;;-4.53;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM460154;MM460154;N=CN1C2CC(=NO)CC21;WFJDOWHZTJTEKT-UHFFFAOYSA-N;139.16;0.27;;;;;DOPC;MDCG;27;1;"MARTINI bead: SNda_SP2";;;;;;;-0.24;;-5.84;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM460155;MM460155;C=CC1C(N)C1CCCF;VZVLSRQBRNRHME-UHFFFAOYSA-N;143.21;1.5;;;;;DOPC;MDCG;27;1;"MARTINI bead: C4_SNd";;;;;;;2.2;;-2.04;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM460156;MM460156;NN=C1CC2C(C1)N2C=O;ZZUXVCMVMXXMQP-UHFFFAOYSA-N;139.16;-0.7;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNd_SP2";;;;;;;-0.24;;-3.16;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM460157;MM460157;C=CC1C(C)C1CCNC;SMVUOJPSBCKZJQ-UHFFFAOYSA-N;139.24;1.66;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_SC4";;;;;;;2.2;;-2.53;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM460158;MM460158;O=CN1C2CC(=NO)CC21;KVJZKEOGLLZXTD-UHFFFAOYSA-N;140.14;-0.18;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNda_SP2";;;;;;;-0.24;;-3.31;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM460159;MM460159;C=CC1C(C)C1CNCC;OIQYIOMFLFLRHK-UHFFFAOYSA-N;139.24;1.66;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_SC4";;;;;;;2.2;;-2.67;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM460160;MM460160;C=NN1C2CC(=CC)CC21;WISJAPDMBLUACD-UHFFFAOYSA-N;136.2;1.39;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC1_SP2";;;;;;;1.8;;0.4;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM460161;MM460161;C=CC1C(N)C1NCCC;JHJIKFKMFNKANB-UHFFFAOYSA-N;140.23;0.5;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_SNd";;;;;;;0.87;;-4.6;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM460162;MM460162;C=NN1C2CC(=CF)CC21;WZMDXOGXMFVAIJ-UHFFFAOYSA-N;140.16;1.3;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC4_SP2";;;;;;;1.09;;-0.38;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM460163;MM460163;C=CC1C(C)C1OCCO;PYTPWMADXUXCNI-UHFFFAOYSA-N;142.2;0.82;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_SC4";;;;;;;1.09;;-0.38;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM460164;MM460164;CC1C(C=O)C1OCCO;HABRCCWXIUXGAR-UHFFFAOYSA-N;144.17;-0.17;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_SNa";;;;;;;-0.24;;-3.24;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM460165;MM460165;C=NN1C2CC(=NN)CC21;HZRLGTXJTKUJCU-UHFFFAOYSA-N;138.17;-0.24;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNd_SP2";;;;;;;-0.24;;-3.16;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM460166;MM460166;C=NN1C2CC(=NO)CC21;MXQIHQDTTUFLFN-UHFFFAOYSA-N;139.16;0.28;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNda_SP2";;;;;;;-0.24;;-3.31;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM460167;MM460167;CC1C(C#N)C1OCCO;ZZJFZLWWTPSVAI-UHFFFAOYSA-N;141.17;0.15;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_SN0";;;;;;;0.06;;-2.21;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM460168;MM460168;N#CC1C2CC(=CF)CN12;PWJVAOBAJVERAH-UHFFFAOYSA-N;138.15;0.82;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP1_SP2";;;;;;;-1.06;;-3.82;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM460169;MM460169;C=CC1C(O)C1OCCC;APALEHAZYJOAJV-UHFFFAOYSA-N;142.2;0.96;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_SNda";;;;;;;0.87;;-1.99;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM460170;MM460170;N#CC1C2CC(=NO)CN12;PWSUNOOWWMEQJJ-UHFFFAOYSA-N;137.14;-0.2;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP3_SP2";;;;;;;-2.2;;-5.19;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM460171;MM460171;CCCOC1C(O)C1C#N;VGVIFIZBNRYMFH-UHFFFAOYSA-N;141.17;0.3;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_SP2";;;;;;;-0.24;;-3.24;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM460172;MM460172;C=CC1C2CC(=NC)NN12;YZQUUEBFURFNCY-UHFFFAOYSA-N;137.19;0.16;;;;;DOPC;MDCG;27;1;"MARTINI bead: SP2_SP1";;;;;;;-1.06;;-6.14;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM460173;MM460173;C=CC1C(CCCC)N1C;QNZVSNMOGRELGR-UHFFFAOYSA-N;139.24;2.05;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1_SNd";;;;;;;2.91;;0.66;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM460174;MM460174;C=CC(F)(F)C=NNC;UXMMBVZCUJLPGC-UHFFFAOYSA-N;134.13;1.01;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_C5";;;;;;;0.54;;-1.09;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM460175;MM460175;C#CC1C2CC(=CC)OC12;HMZUVUPLSBHQIG-UHFFFAOYSA-N;134.18;1.56;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC5_SC5";;;;;;;2.41;;0.64;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM460176;MM460176;C#CC1(C)ONC(=N)O1;GMPVVSPZLXACOI-UHFFFAOYSA-N;126.12;-0.18;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP2_SP2";;;;;;;-1.34;;-4.31;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM460177;MM460177;C=CC1C(COCC)N1C;HZGMSRTVDGWXIG-UHFFFAOYSA-N;141.21;0.89;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_SNd";;;;;;;0.87;;-1.88;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM460178;MM460178;C#CC1C2CC(=CC)CN12;PTVFCVFBKDDHBM-UHFFFAOYSA-N;133.19;1.02;;;;;DOPC;MDCG;27;0;"MARTINI bead: SN0_SP3";;;;;;;-0.8;;-2.99;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM460179;MM460179;CCCCC1C(C)N1C=N;VCLFSBTUCSYOIY-UHFFFAOYSA-N;140.23;1.86;;;;;DOPC;MDCG;27;1;"MARTINI bead: C1_SP1";;;;;;;2.08;;-1.34;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM460180;MM460180;C#CC1C2CC(=NC)NN12;ITLSIEDWRRMWLU-UHFFFAOYSA-N;135.17;-0.39;;;;;DOPC;MDCG;27;1;"MARTINI bead: SP2_SP3";;;;;;;-2.2;;-7.4;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM460181;MM460181;CC1C(CCCN)N1C=N;NHXPXDMVFGDWJA-UHFFFAOYSA-N;141.22;0.41;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_SP1";;;;;;;0.04;;-5.72;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM460182;MM460182;CC1C(CCCO)N1C=N;QXKGASOXRBPZRQ-UHFFFAOYSA-N;142.2;0.44;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nda_SP1";;;;;;;0.04;;-5.67;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM460183;MM460183;CCC1C2C=C(CF)CC21;CNGRQEGKHQFNAL-UHFFFAOYSA-N;140.2;2.56;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC3_SC5";;;;;;;3.34;;0.48;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM460184;MM460184;CC1C(CCCN)N1C=O;ZYONGBUNOXSCMT-UHFFFAOYSA-N;142.2;-0.05;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_SP1";;;;;;;0.04;;-5.12;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM460185;MM460185;NCC1C2C=C(CF)CC21;OZPDOGQKDGQFLT-UHFFFAOYSA-N;141.19;1.11;;;;;DOPC;MDCG;27;1;"MARTINI bead: SNd_SC5";;;;;;;1.64;;-2.68;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM460186;MM460186;CC1C(CCCO)N1C=O;BKKICAFNVUVYHL-UHFFFAOYSA-N;143.19;-0.01;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nda_SP1";;;;;;;0.04;;-2.73;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM460187;MM460187;NCC1=CC2C(CO)C2C1;HRHUZVDPMRQODR-UHFFFAOYSA-N;139.2;0.13;;;;;DOPC;MDCG;27;1;"MARTINI bead: SNd_SNda";;;;;;;0.87;;-4.16;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM460188;MM460188;COC1=CC2C(CN)C2C1;VOGHCYUITJBTAH-UHFFFAOYSA-N;139.2;0.74;;;;;DOPC;MDCG;27;1;"MARTINI bead: SC5_SNd";;;;;;;1.64;;-2.68;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM460189;MM460189;CC1C(CCCF)N1C=O;QTKAKEJQVVQRKO-UHFFFAOYSA-N;145.18;0.97;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4_SP1";;;;;;;1.37;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM460190;MM460190;CNCCC1C(C)N1C=N;QSRLBNDWVQRBRY-UHFFFAOYSA-N;141.22;0.28;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_SP1";;;;;;;0.04;;-5.63;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM460191;MM460191;CCC1C2N=C(NC)NC12;HYXZCIHZWCBRKN-UHFFFAOYSA-N;139.2;-0.06;;;;;DOPC;MDCG;27;1;"MARTINI bead: SC3_SP1";;;;;;;1.74;;-3.3;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM460192;MM460192;CCC1C2N=C(NN)NC12;JTAWLWKYICEXLU-UHFFFAOYSA-N;140.19;-0.81;;;;;DOPC;MDCG;27;1;"MARTINI bead: SC3_SP2";;;;;;;1.46;;-3.28;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM460193;MM460193;CNCCC1C(C)N1C=O;UXAAFDCZLDRTFW-UHFFFAOYSA-N;142.2;-0.18;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_SP1";;;;;;;0.04;;-5.47;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM460194;MM460194;CCC1=NC2C(NC)C2N1;GEBROPWRNAHYHT-UHFFFAOYSA-N;139.2;-0.26;;;;;DOPC;MDCG;27;1;"MARTINI bead: SNd_SNd";;;;;;;0.87;;-3.95;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM460195;MM460195;COCCC1C(C)N1C=N;PJODEZOTTVXABE-UHFFFAOYSA-N;142.2;0.7;;;;;DOPC;MDCG;27;1;"MARTINI bead: Na_SP1";;;;;;;0.04;;-5.44;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM460196;MM460196;CCC1C2C=C(CF)OC21;UWYUHPJTIYNWHN-UHFFFAOYSA-N;142.17;1.89;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC3_SNa";;;;;;;2.57;;0.45;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM460197;MM460197;C=NN1C(C)C1CCCN;KCMSPVIKPNHMBW-UHFFFAOYSA-N;141.22;0.41;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_SP1";;;;;;;0.04;;-5.42;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM460198;MM460198;C#CCNN=CC(C)C;AMSCQTDQABJCKP-UHFFFAOYSA-N;124.19;0.85;;;;;DOPC;MDCG;27;0;"MARTINI bead: C3_P3";;;;;;;0.6;;-0.8;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM460199;MM460199;CC(=CN)C(=O)N(C)N;RXGCACQBPRIJBU-UHFFFAOYSA-N;129.16;-0.82;;;;;DOPC;MDCG;27;0;"MARTINI bead: P4_Nd";;;;;;;-1.19;;-4.91;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM460200;MM460200;CCC1=CC2C(CN)N2C1;ZGIXNBIFJMDRIT-UHFFFAOYSA-N;138.21;0.35;;;;;DOPC;MDCG;27;1;"MARTINI bead: SN0_SP2";;;;;;;0.06;;-4.13;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM460201;MM460201;C=NN1C(C)C1CCOC;WNFQKKVUXOZWMA-UHFFFAOYSA-N;142.2;0.71;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_SP1";;;;;;;0.04;;-2.54;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM460202;MM460202;CCC1C2C=C(C=O)CC21;LILPHXPQAWHZHT-UHFFFAOYSA-N;136.19;1.79;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC3_SNa";;;;;;;2.57;;0.45;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM460203;MM460203;CCNCC1C(C)N1C=N;QETMIBHWBDSJFM-UHFFFAOYSA-N;141.22;0.28;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_SP1";;;;;;;0.04;;-5.3;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM460204;MM460204;CNC1C2C=C(C#N)CC21;NDMGKORLOJDTRD-UHFFFAOYSA-N;134.18;0.67;;;;;DOPC;MDCG;27;1;"MARTINI bead: SNd_SN0";;;;;;;1.17;;-3.79;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM460205;MM460205;CCNCC1C(C)N1C=O;LXACUSPXWOJWHX-UHFFFAOYSA-N;142.2;-0.18;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_SP1";;;;;;;0.04;;-4.84;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM460206;MM460206;C=CC1=NC2C(CC)C2N1;DOZBTKXVURHMHI-UHFFFAOYSA-N;136.2;0.95;;;;;DOPC;MDCG;27;1;"MARTINI bead: SC3_SNd";;;;;;;2.57;;-0.91;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM460207;MM460207;C=NN1C(C)C1CNCC;KIDFCQWARBTJTB-UHFFFAOYSA-N;141.22;0.28;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_SP1";;;;;;;0.04;;-4.37;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM460208;MM460208;C=CC1=CC2C(CC)C2O1;BFGAUIRPQDENCB-UHFFFAOYSA-N;136.19;2.11;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC3_SNa";;;;;;;2.57;;0.45;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM460209;MM460209;C#CC1=CC2C(CN)C2C1;IIMZZMPWBGYYJW-UHFFFAOYSA-N;133.19;0.77;;;;;DOPC;MDCG;27;1;"MARTINI bead: SNd_SC5";;;;;;;1.64;;-2.68;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM460210;MM460210;CCOCC1C(C)N1C=O;ASUFLBNMRHRYKI-UHFFFAOYSA-N;143.19;0.25;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_SP1";;;;;;;0.04;;-2.54;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM460211;MM460211;C#CC1=CC2C(C1)C2NC;LUVGIQRSHOVCFP-UHFFFAOYSA-N;133.19;0.78;;;;;DOPC;MDCG;27;1;"MARTINI bead: SNd_SC5";;;;;;;1.64;;-2.65;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM460212;MM460212;C=CC1C(C)N1CCCN;BUKACESREAVPJU-UHFFFAOYSA-N;140.23;0.59;;;;;DOPC;MDCG;27;1;"MARTINI bead: SP1_P3";;;;;;;-1.93;;-7.13;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM460213;MM460213;N#CC1C2C=C(CO)CC12;CKYRXFDWCQHMEO-UHFFFAOYSA-N;135.17;0.69;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNda_SN0";;;;;;;1.17;;-1.13;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM460214;MM460214;C=CCCC1C(C)C1C#N;VWWNUWUEVLVQFP-UHFFFAOYSA-N;135.21;2.36;;;;;DOPC;MDCG;27;0;"MARTINI bead: C3_SN0";;;;;;;2.87;;0.37;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM460215;MM460215;CCC1=CC2C(C1)N2C=N;CYTXVVWHPSHZSN-UHFFFAOYSA-N;136.2;1.39;;;;;DOPC;MDCG;27;1;"MARTINI bead: SC2_SP2";;;;;;;1.72;;-1.51;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM460216;MM460216;CC1C(C=O)C1CCC#N;MFZKWGUBZDPKQZ-UHFFFAOYSA-N;137.18;1.37;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_SNa";;;;;;;0.04;;-2.54;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM460217;MM460217;CC1C(C#N)C1CCC=O;KBGRWGYSOLXUPJ-UHFFFAOYSA-N;137.18;1.37;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_SN0";;;;;;;1.17;;-1.18;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM460218;MM460218;N=CN1C2C=C(CN)CC21;CGTIYBNRDALRJH-UHFFFAOYSA-N;137.19;-0.06;;;;;DOPC;MDCG;27;1;"MARTINI bead: SNd_SP2";;;;;;;-0.24;;-5.55;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM460219;MM460219;CCC(C)=NNCC#N;JMENCWLEXKTNMQ-UHFFFAOYSA-N;125.18;0.89;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_P1";;;;;;;0.81;;-0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM460220;MM460220;N=CN1C2C=C(CO)CC21;NASBSLROWYSWNR-UHFFFAOYSA-N;138.17;-0.03;;;;;DOPC;MDCG;27;1;"MARTINI bead: SNda_SP2";;;;;;;-0.24;;-5.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM460221;MM460221;C=CCCC1C(O)C1C=O;UAOCFTSJYUBTRO-UHFFFAOYSA-N;140.18;0.76;;;;;DOPC;MDCG;27;0;"MARTINI bead: C3_SP2";;;;;;;1.46;;-0.15;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM460222;MM460222;N=CN1C2C=C(CF)CC21;VUCDMSIECLYMQS-UHFFFAOYSA-N;140.16;0.95;;;;;DOPC;MDCG;27;1;"MARTINI bead: SC5_SP2";;;;;;;0.54;;-3.29;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM460223;MM460223;C=CCCC1C(O)C1C#N;MGGOGHGYAARCNW-UHFFFAOYSA-N;137.18;1.08;;;;;DOPC;MDCG;27;0;"MARTINI bead: C3_SP2";;;;;;;1.46;;-0.15;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM460224;MM460224;CCC1=CC2C(C1)N2C=O;IRZULXUFDWEMTN-UHFFFAOYSA-N;137.18;0.94;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC2_SP2";;;;;;;1.72;;0.27;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM460225;MM460225;N#CC1C(O)C1CCC=O;DYIVFHSICKXGDT-UHFFFAOYSA-N;139.15;0.1;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_SP2";;;;;;;-0.24;;-3.24;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM460226;MM460226;NCC1=CC2C(C1)N2C=O;HUNGWFXRZRFNPT-UHFFFAOYSA-N;138.17;-0.52;;;;;DOPC;MDCG;27;1;"MARTINI bead: SNd_SP2";;;;;;;-0.24;;-5.1;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM460227;MM460227;O=CN1C2C=C(CO)CC21;JCRLEFUCQHFIHC-UHFFFAOYSA-N;139.15;-0.48;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNda_SP2";;;;;;;-0.24;;-3.31;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM460228;MM460228;C#CC(CC#N)ON=C;IJCRTWCLYSIXQU-UHFFFAOYSA-N;122.13;0.53;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_N0";;;;;;;0.34;;-1.53;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM460229;MM460229;O=CN1C2C=C(CF)CC21;GSISIDOCPDATQF-UHFFFAOYSA-N;141.15;0.5;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC5_SP2";;;;;;;0.54;;-1.09;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM460230;MM460230;CC1C(C=O)C1CN=CN;XBXMJCIJTVOXRT-UHFFFAOYSA-N;140.19;0.05;;;;;DOPC;MDCG;27;1;"MARTINI bead: P2_SNa";;;;;;;-0.24;;-6.76;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM460231;MM460231;COC1=CC2C(C1)N2C=N;DGXUSMSKVSWHAH-UHFFFAOYSA-N;138.17;0.58;;;;;DOPC;MDCG;27;1;"MARTINI bead: SC5_SP2";;;;;;;0.54;;-3.19;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM460232;MM460232;CC1C(C#N)C1CNC=N;WWNMCFLLDKRDHI-UHFFFAOYSA-N;137.19;0.59;;;;;DOPC;MDCG;27;1;"MARTINI bead: P3_SN0";;;;;;;-0.8;;-6.94;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM460233;MM460233;COC1=CC2C(C1)N2C=O;AYNLJVZUEVSBRC-UHFFFAOYSA-N;139.15;0.13;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC5_SP2";;;;;;;0.54;;-1.09;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM460234;MM460234;C=CC1C(N)C1CNC=O;GODDMEHZKWTOSJ-UHFFFAOYSA-N;140.19;-0.51;;;;;DOPC;MDCG;27;1;"MARTINI bead: P3_SNd";;;;;;;-1.1;;-6.09;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM460235;MM460235;C=NN1C2C=C(CC)CC21;PPSRNGXIWZCSIC-UHFFFAOYSA-N;136.2;1.39;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC2_SP2";;;;;;;1.72;;0.27;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM460236;MM460236;N#CC1C(O)C1CNC=N;LQSLQLUPFDQADT-UHFFFAOYSA-N;139.16;-0.69;;;;;DOPC;MDCG;27;1;"MARTINI bead: P3_SP2";;;;;;;-2.2;;-9.08;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM460237;MM460237;C=NN1C2C=C(CN)CC21;OXHDYDQGBYQROR-UHFFFAOYSA-N;137.19;-0.06;;;;;DOPC;MDCG;27;1;"MARTINI bead: SNd_SP2";;;;;;;-0.24;;-5.4;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM460238;MM460238;C#CC(C=CF)NN=C;PGXNSXQCEDHHOJ-UHFFFAOYSA-N;126.13;0.68;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_P1";;;;;;;0.81;;-0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM460239;MM460239;Cn1c(=O)cc(N)n1N;LBYRXSHQANBNKC-UHFFFAOYSA-N;128.14;-1.52;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP3_SP1";;;;;;;-1.93;;-4.72;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM460240;MM460240;C=CC1C(F)C1CNN=C;WWUWMCXZUDNQQR-UHFFFAOYSA-N;142.18;0.96;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_SC5";;;;;;;0.54;;-1.09;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM460241;MM460241;C=COCC1C(C)C1C#N;NKXWRDXMSIJEFJ-UHFFFAOYSA-N;137.18;1.55;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_SN0";;;;;;;1.17;;-1.18;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM460242;MM460242;C=NN1C2C=C(CF)CC21;KJBKFVUATYWZFH-UHFFFAOYSA-N;140.16;0.95;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC5_SP2";;;;;;;0.54;;-1.09;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM460243;MM460243;C=NN1C2C=C(OC)CC21;IKPUIYRIDMCTAZ-UHFFFAOYSA-N;138.17;0.59;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC5_SP2";;;;;;;0.54;;-1.09;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM460244;MM460244;CC1C(C#N)C1COC=O;NJINEZPUZQLUIQ-UHFFFAOYSA-N;139.15;0.57;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_SN0";;;;;;;0.34;;-1.53;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM460245;MM460245;C=CC1C(C)C1CON=C;NELLSWXHVZEXJC-UHFFFAOYSA-N;139.2;1.69;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_SC4";;;;;;;1.37;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM460246;MM460246;C=NNC(C)(C)C#CCC;NTRZWWALELXFRO-UHFFFAOYSA-N;138.21;1.38;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_Nd";;;;;;;1.64;;0.02;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM460247;MM460247;CCC1=CC2C(C#N)N2C1;QXRZXNNNRNTYNP-UHFFFAOYSA-N;134.18;0.91;;;;;DOPC;MDCG;27;0;"MARTINI bead: SN0_SP2";;;;;;;0.06;;-2.21;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM460248;MM460248;C=NOCC1C(C)C1C#N;HIPHQAIZXYZSTA-UHFFFAOYSA-N;138.17;1.02;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_SN0";;;;;;;0.34;;-1.53;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM460249;MM460249;C=CC1C(C)C1NCC#N;IXCWCIBFPXWVNS-UHFFFAOYSA-N;136.2;0.92;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_SC4";;;;;;;1.09;;-0.37;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM460250;MM460250;C=CC1=CC2C(C#N)C2C1;RZYHEKWZKDFNLI-UHFFFAOYSA-N;131.18;1.89;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC3_SN0";;;;;;;2.87;;0.37;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM460251;MM460251;CC1=NC(=N)C(F)=C1N;HLSBFJIYKSFZKK-UHFFFAOYSA-N;127.12;0.58;;;;;DOPC;MDCG;27;0;"MARTINI bead: SN0_SP1";;;;;;;0.34;;-1.53;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM460252;MM460252;N#CC1=CC2C(C#N)C2C1;RNGKDYSYCQQNRM-UHFFFAOYSA-N;130.15;1.23;;;;;DOPC;MDCG;27;0;"MARTINI bead: SN0_SN0";;;;;;;1.47;;-0.05;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM460253;MM460253;CC1C(C=O)C1NN=CN;LFVUHYDWNQPVDA-UHFFFAOYSA-N;141.17;-0.69;;;;;DOPC;MDCG;27;1;"MARTINI bead: P3_SNa";;;;;;;-1.1;;-5.69;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM460254;MM460254;C=CC1=CC2C(C1)N2C=N;KWZUHZVAOQQOMH-UHFFFAOYSA-N;134.18;1.16;;;;;DOPC;MDCG;27;1;"MARTINI bead: SC3_SP2";;;;;;;1.46;;-2.23;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM460255;MM460255;C=CCOC1C(C)C1C=O;XEANKWXYJCACCM-UHFFFAOYSA-N;140.18;1.02;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_SNa";;;;;;;0.87;;-2.22;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM460256;MM460256;N=CN1C2C=C(C=O)CC21;QDMDUWHSYQVKJC-UHFFFAOYSA-N;136.15;0.18;;;;;DOPC;MDCG;27;1;"MARTINI bead: SP2_SNa";;;;;;;-0.24;;-5.44;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM460257;MM460257;C=CCOC1C(C)C1C#N;KIQYNXGBJQUYNV-UHFFFAOYSA-N;137.18;1.35;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_SN0";;;;;;;1.17;;-1.18;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM460258;MM460258;N#CC1=CC2C(C1)N2C=N;ZPEMTGSMJWCUPD-UHFFFAOYSA-N;133.15;0.5;;;;;DOPC;MDCG;27;1;"MARTINI bead: SP2_SN0";;;;;;;0.06;;-4.38;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM460259;MM460259;C=CCOC1C(O)C1C=C;QOWUITZKUZSFSK-UHFFFAOYSA-N;140.18;0.73;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_SNda";;;;;;;0.87;;-1.99;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM460260;MM460260;C=CC1=CC2C(C1)N2C=O;LLBNGZBNYSYVHZ-UHFFFAOYSA-N;135.17;0.71;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC3_SP2";;;;;;;1.46;;-0.15;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM460261;MM460261;N#CCOC1C(O)C1C#N;IKHDUVXZVASJGT-UHFFFAOYSA-N;138.13;-0.59;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_SP2";;;;;;;-1.06;;-3.82;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM460262;MM460262;O=CC1=CC2C(C1)N2C=O;ABHKZRJZNJZTSZ-UHFFFAOYSA-N;137.14;-0.28;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP2_SNa";;;;;;;-0.24;;-3.24;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM460263;MM460263;CC=NNC(C#N)CC;LPKZDQAYLQLNQB-UHFFFAOYSA-N;125.18;0.88;;;;;DOPC;MDCG;27;0;"MARTINI bead: N0_Nd";;;;;;;1.17;;-1.04;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM460264;MM460264;N#CC1=CC2C(C1)N2C=O;LBVFEBFBLDKHRN-UHFFFAOYSA-N;134.14;0.05;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP2_SN0";;;;;;;0.06;;-2.21;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM460265;MM460265;C=CC1C(CNC=N)N1C;NIOBKPOBCSMBAA-UHFFFAOYSA-N;139.2;0.05;;;;;DOPC;MDCG;27;1;"MARTINI bead: P3_SNd";;;;;;;-1.1;;-7.82;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM460266;MM460266;C=CC1=CC2C(C1)N2N=C;YPCRRTAFHYVZGS-UHFFFAOYSA-N;134.18;1.17;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC3_SP2";;;;;;;1.46;;-0.15;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM460267;MM460267;C=CCCC1C(C)N1C=N;ACHSEZIRYDJTCM-UHFFFAOYSA-N;138.21;1.63;;;;;DOPC;MDCG;27;1;"MARTINI bead: C3_SP1";;;;;;;1.74;;-2.28;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM460268;MM460268;C=NN1C2C=C(C=O)CC21;HHJLDDUODZPCLR-UHFFFAOYSA-N;136.15;0.18;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP2_SNa";;;;;;;-0.24;;-3.24;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM460269;MM460269;CC1C(CCC=O)N1C=N;DUGMPNKJIPHYNA-UHFFFAOYSA-N;140.19;0.65;;;;;DOPC;MDCG;27;1;"MARTINI bead: Na_SP1";;;;;;;0.04;;-5.49;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM460270;MM460270;C=NN1C2C=C(C#N)CC21;KUJXRGAWWUHEGS-UHFFFAOYSA-N;133.15;0.51;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP2_SN0";;;;;;;0.06;;-2.21;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM460271;MM460271;CC1C(CCC#N)N1C=N;AZMLNXZXZVTJAY-UHFFFAOYSA-N;137.19;0.97;;;;;DOPC;MDCG;27;1;"MARTINI bead: P1_SP1";;;;;;;-0.79;;-6.08;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM460272;MM460272;C=CC1C2CC(C#N)=CN12;JLEWYPGQAIVHGD-UHFFFAOYSA-N;132.17;1.04;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP1_SP1";;;;;;;-0.79;;-3.13;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM460273;MM460273;C=CCCC1C(C)N1C=O;RPTTVCXZSDGARD-UHFFFAOYSA-N;139.2;1.18;;;;;DOPC;MDCG;27;0;"MARTINI bead: C3_SP1";;;;;;;1.74;;0.29;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM460274;MM460274;N#CC1=CN2C(C#N)C2C1;NWKYVUFFOBGORZ-UHFFFAOYSA-N;131.14;0.37;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP1_SP2";;;;;;;-1.06;;-3.82;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM460275;MM460275;C=CC1CN=C(NN)O1;IUZUJNVFPPDDBJ-UHFFFAOYSA-N;127.15;-0.61;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP2_SN0";;;;;;;0.06;;-2.21;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM460276;MM460276;C#CC1=CC2C(C1)N2C=N;HXXXDEFJSFJFDZ-UHFFFAOYSA-N;132.17;0.61;;;;;DOPC;MDCG;27;1;"MARTINI bead: SP2_SC5";;;;;;;0.54;;-3.25;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM460277;MM460277;C=CCCC1C(C)N1N=C;MDVUIYXRBORHKG-UHFFFAOYSA-N;138.21;1.64;;;;;DOPC;MDCG;27;0;"MARTINI bead: C3_SP1";;;;;;;1.74;;0.29;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM460278;MM460278;C#CC1=CC2C(C1)N2C=O;FMWHYXKWCBYBKV-UHFFFAOYSA-N;133.15;0.16;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP2_SC5";;;;;;;0.54;;-1.09;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM460279;MM460279;C#CC#CC1CC=NN1;FPMVDNACGKERSH-UHFFFAOYSA-N;118.14;-0.03;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNd_SP1";;;;;;;0.04;;-2.63;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM460280;MM460280;C#CC1=CC2C(C1)N2N=C;XUDPDRGIZRRPMH-UHFFFAOYSA-N;132.17;0.62;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP2_SC5";;;;;;;0.54;;-1.09;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM460281;MM460281;C=NN1C(C)C1CCC#N;GIZVCUIGXTWYGQ-UHFFFAOYSA-N;137.19;0.98;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_SP1";;;;;;;-0.79;;-3.13;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM460282;MM460282;C#CC1C2C=C(CC)CN12;REPOQKFWXQYYPF-UHFFFAOYSA-N;133.19;1.02;;;;;DOPC;MDCG;27;0;"MARTINI bead: SN0_SP3";;;;;;;-0.8;;-2.99;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM460283;MM460283;CC1C(CNC=N)N1C=O;MGJPHWZFGUVLTL-UHFFFAOYSA-N;141.17;-0.59;;;;;DOPC;MDCG;27;1;"MARTINI bead: P3_SP1";;;;;;;-1.93;;-8.49;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM460284;MM460284;C#CC1C2C=C(CN)CN12;WLQPYPPBMHDIFM-UHFFFAOYSA-N;134.18;-0.43;;;;;DOPC;MDCG;27;1;"MARTINI bead: SP2_SP3";;;;;;;-2.2;;-7.08;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM460285;MM460285;C=NNCC1C(C)N1C=O;QMNGRPIOGMNJGL-UHFFFAOYSA-N;141.17;-0.58;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_SP1";;;;;;;-1.06;;-3.82;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM460286;MM460286;C#CC1C2CC(C=O)=CN12;NBZIORCJZQZRLD-UHFFFAOYSA-N;133.15;0.16;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP2_SNd";;;;;;;-0.24;;-3.16;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM460287;MM460287;C=NN1C(C)C1CNC=N;DBEOUZLORSBFLS-UHFFFAOYSA-N;140.19;-0.13;;;;;DOPC;MDCG;27;1;"MARTINI bead: P3_SP1";;;;;;;-1.93;;-8.47;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM460288;MM460288;NCC12C(O)C3CC1C2C3;UCJSYCZGLTUGDW-UHFFFAOYSA-N;139.2;-0.04;;;;;DOPC;MDCG;27;1;"MARTINI bead: SNd_SNda";;;;;;;0.87;;-4.02;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM460289;MM460289;CC1NC1C(=O)N1CC1;PJPWROTUJFLFTP-UHFFFAOYSA-N;126.16;-0.81;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP1_SP2";;;;;;;-1.06;;-3.82;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM460290;MM460290;NCC12C(N)C3CC1C2N3;FKCKHBGCODNBAS-UHFFFAOYSA-N;139.2;-1.37;;;;;DOPC;MDCG;27;1;"MARTINI bead: SNd_SP1";;;;;;;0.04;;-4.84;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM460291;MM460291;C=NNCC1C(C)N1N=C;JAAPYWQIJGLHKU-UHFFFAOYSA-N;140.19;-0.12;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_SP1";;;;;;;-1.06;;-3.82;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM460292;MM460292;CCC1CC1C1CC1CN;KSAWHXWVAFHMEM-UHFFFAOYSA-N;139.24;1.63;;;;;DOPC;MDCG;27;1;"MARTINI bead: SC3_SNd";;;;;;;2.57;;-1.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM460293;MM460293;C=NOCC1C(C)N1N=C;LGSDZEGASIMRMB-UHFFFAOYSA-N;141.17;0.31;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_SP1";;;;;;;-0.79;;-3.13;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM460294;MM460294;CCC1CC1C1NC1CN;IQJUXBPAZZZPIE-UHFFFAOYSA-N;140.23;0.33;;;;;DOPC;MDCG;27;1;"MARTINI bead: SC3_SP2";;;;;;;1.46;;-1.98;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM460295;MM460295;C=CC1C(C)N1CCC#N;DVFNUKWDYXPACR-UHFFFAOYSA-N;136.2;1.16;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP1_P2";;;;;;;-1.06;;-3.82;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM460296;MM460296;C=CC1OC1C1CC1NC;OMYCCNIPXMVUBK-UHFFFAOYSA-N;139.2;0.55;;;;;DOPC;MDCG;27;1;"MARTINI bead: SNd_SNa";;;;;;;0.87;;-4.44;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM460297;MM460297;CC(C)CNN=CCC#N;MDUQINXILZSQAI-UHFFFAOYSA-N;139.2;1.13;;;;;DOPC;MDCG;27;0;"MARTINI bead: C3_P1";;;;;;;1.74;;0.29;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM460298;MM460298;C#CCCC1C(C)C1C=O;VPUKRVGFOQSFHC-UHFFFAOYSA-N;136.19;1.48;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_SNa";;;;;;;1.64;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM460299;MM460299;C=CC1CC1C1NC1CN;NMYRUPXZHIFIFA-UHFFFAOYSA-N;138.21;0.11;;;;;DOPC;MDCG;27;1;"MARTINI bead: SP2_SC4";;;;;;;1.09;;-2.29;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM460300;MM460300;C#CCCC1C(C)C1C#N;TUVZHLGJWXMUCO-UHFFFAOYSA-N;133.19;1.81;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_SN0";;;;;;;1.94;;0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM460301;MM460301;C=CC1CC1C1OC1CC;CDOUWDCAIRCSMI-UHFFFAOYSA-N;138.21;1.99;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNa_SC4";;;;;;;2.2;;0.34;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM460302;MM460302;CC=NNC1C(N)C1(F)F;INERRAHDXKPYJX-UHFFFAOYSA-N;149.14;-0.07;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nd_SP1";;;;;;;0.04;;-2.63;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM460303;MM460303;C#CC1CC1C1CC1NC;DZWYIOWOVSXZSX-UHFFFAOYSA-N;135.21;0.86;;;;;DOPC;MDCG;27;1;"MARTINI bead: SNd_SC5";;;;;;;1.64;;-2.68;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM460304;MM460304;C#CC1NC1C1CC1CN;YPJBMYJXGLJCBT-UHFFFAOYSA-N;136.2;-0.45;;;;;DOPC;MDCG;27;1;"MARTINI bead: SNd_SP3";;;;;;;-1.1;;-6.69;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM460305;MM460305;C#CCNC1C(C)C1C=O;UJFACMNZSVUZPD-UHFFFAOYSA-N;137.18;0.04;;;;;DOPC;MDCG;27;1;"MARTINI bead: P2_SNa";;;;;;;-0.24;;-4.29;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM460306;MM460306;C#CC1OC1C1NC1CN;HMSSVVUCUYILSG-UHFFFAOYSA-N;138.17;-1.31;;;;;DOPC;MDCG;27;1;"MARTINI bead: SP2_SNa";;;;;;;-0.24;;-5.18;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM460307;MM460307;C#CCOC1C(C)C1C=C;SAVWGRAHSHPEQR-UHFFFAOYSA-N;136.19;1.46;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_SC4";;;;;;;2.2;;0.34;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM460308;MM460308;N#CC1CC1C1CC1C#N;FFVRZFFBEFUICX-UHFFFAOYSA-N;132.17;1.31;;;;;DOPC;MDCG;27;0;"MARTINI bead: SN0_SN0";;;;;;;1.47;;-0.05;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM460309;MM460309;C#CCOC1C(F)C1C=C;SLBLMEXQAOZVMA-UHFFFAOYSA-N;140.16;1.16;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC5_Na";;;;;;;1.64;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM460310;MM460310;C=CC1CC1C1OC1C#N;ZJUPHPXYTGSCHF-UHFFFAOYSA-N;135.17;1.1;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC4_SP1";;;;;;;1.37;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM460311;MM460311;C#CCCC1C(C)N1C=N;PHYWZVZNWOYULX-UHFFFAOYSA-N;136.2;1.08;;;;;DOPC;MDCG;27;1;"MARTINI bead: C5_SP1";;;;;;;0.81;;-3.42;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM460312;MM460312;C#CCCC1C(C)N1C=O;QLNIONUNUOGDRE-UHFFFAOYSA-N;137.18;0.63;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_SP1";;;;;;;0.81;;-0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM460313;MM460313;C=CC1NC1C1NC1C#N;YBGWZDXFSBCCRB-UHFFFAOYSA-N;135.17;-0.62;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP1_SP2";;;;;;;-1.06;;-3.82;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM460314;MM460314;C#CCCC1C(C)N1N=C;DVKJVGAIBMCDQO-UHFFFAOYSA-N;136.2;1.09;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_SP1";;;;;;;0.81;;-0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM460315;MM460315;N#CC1NC1C1NC1C#N;PZZQNRVLZTUIOH-UHFFFAOYSA-N;134.14;-1.29;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP2_SP2";;;;;;;-1.34;;-4.31;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM460316;MM460316;C#CC1C(N)C1CCCN;HZDSSOMPHIBJCC-UHFFFAOYSA-N;138.21;-0.07;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_SP1";;;;;;;0.04;;-5.53;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM460317;MM460317;C=CC1CC1C1CN1C=N;LJMVVYZXYMJOII-UHFFFAOYSA-N;136.2;1.1;;;;;DOPC;MDCG;27;1;"MARTINI bead: SC4_SP2";;;;;;;1.09;;-3.51;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM460318;MM460318;C=NNC(C)C(=O)C=CC;WATBCMWSGAFEQV-UHFFFAOYSA-N;140.19;0.73;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_Nd";;;;;;;0.87;;-1.88;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM460319;MM460319;C=CC1CC1C1CN1C=O;QOPWGATTZVMPGH-UHFFFAOYSA-N;137.18;0.65;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC4_SP2";;;;;;;1.09;;-0.38;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM460320;MM460320;C#CC1C(C)C1CNCC;NMPCWJPREHKXOX-UHFFFAOYSA-N;137.23;1.11;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_SC5";;;;;;;1.64;;-3.09;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM460321;MM460321;C=CC1CC1C1CN1N=C;RLPXAHAECKYIDG-UHFFFAOYSA-N;136.2;1.11;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC4_SP2";;;;;;;1.09;;-0.38;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM460322;MM460322;C#CC1C(C)C1COCC;CCRLPEAZRAVKQP-UHFFFAOYSA-N;138.21;1.54;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_SC5";;;;;;;1.64;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM460323;MM460323;C=NN1CC1C1CC1C#N;JSNODHAIAAPWHI-UHFFFAOYSA-N;135.17;0.45;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP2_SN0";;;;;;;0.06;;-2.21;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM460324;MM460324;N#CC1NC1C1CN1C=O;GYTNAHUDHCJXBG-UHFFFAOYSA-N;137.14;-1.31;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP2_SP2";;;;;;;-1.34;;-4.31;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM460325;MM460325;C#CC1C(N)C1COCC;VIIVNXDURFLZTC-UHFFFAOYSA-N;139.2;0.23;;;;;DOPC;MDCG;27;1;"MARTINI bead: Na_SP1";;;;;;;0.04;;-4.76;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM460326;MM460326;C=NN1CC1C1OC1C#N;BZTBLHMKMWSNKM-UHFFFAOYSA-N;137.14;-0.42;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP2_SP1";;;;;;;-1.06;;-3.82;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM460327;MM460327;C#CC1C(N)C1NCCO;VIVNLNRKYGPKST-UHFFFAOYSA-N;140.19;-1.47;;;;;DOPC;MDCG;27;1;"MARTINI bead: P2_SP1";;;;;;;-1.06;;-5.46;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM460328;MM460328;C#CC1C(N)C1OCCO;KBGHYBWFDUNMQX-UHFFFAOYSA-N;141.17;-1.05;;;;;DOPC;MDCG;27;1;"MARTINI bead: P2_SP1";;;;;;;-1.06;;-5.32;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM460329;MM460329;N=CN1CC1C1CN1C=N;IRWAFLHVHWIGLN-UHFFFAOYSA-N;138.17;-0.43;;;;;DOPC;MDCG;27;1;"MARTINI bead: SP2_SP2";;;;;;;-1.34;;-7.42;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM460330;MM460330;C#CC1C(CCNC)N1C;ZPIQOESFUXGTBM-UHFFFAOYSA-N;138.21;-0.09;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_SP1";;;;;;;0.04;;-5.37;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM460331;MM460331;C=CC1CC1N1CC1C#N;CHMGIZOOLRCMRQ-UHFFFAOYSA-N;134.18;0.77;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNd_SP2";;;;;;;-0.24;;-3.16;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM460332;MM460332;C#CC1C(COCC)N1C;HDZDDAFDMGDCBV-UHFFFAOYSA-N;139.2;0.34;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_SP1";;;;;;;0.04;;-2.54;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM460333;MM460333;C#CC1CC1C1CC1C#N;JJKXYHMQLJWHHS-UHFFFAOYSA-N;131.18;1.42;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC5_SN0";;;;;;;1.94;;0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM460334;MM460334;C#CC1C(C)N1CCCN;ABPSOOKNCRWNOF-UHFFFAOYSA-N;138.21;0.04;;;;;DOPC;MDCG;27;1;"MARTINI bead: SP2_P3";;;;;;;-2.2;;-7.61;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM460335;MM460335;C#CC1OC1C1CC1C=C;YJIOQCZFVAWLLU-UHFFFAOYSA-N;134.18;1.21;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC4_SNa";;;;;;;2.2;;0.34;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM460336;MM460336;C#CC1C(C)C1CCC=O;DEAAEQLSPKEDLL-UHFFFAOYSA-N;136.19;1.48;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_SC5";;;;;;;1.64;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM460337;MM460337;C#CC1CC1C1NC1C#N;TYSJGLWBROGLLR-UHFFFAOYSA-N;132.17;0.12;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC5_SP2";;;;;;;0.54;;-1.09;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM460338;MM460338;C#CC1C(C)C1CCC#N;QPDRMAHLDZVECJ-UHFFFAOYSA-N;133.19;1.81;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC5_P1";;;;;;;0.81;;-0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM460339;MM460339;C#CC1NC1C1CN1C=O;YOUCKCDQAACXHX-UHFFFAOYSA-N;136.15;-1.2;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP2_SP3";;;;;;;-2.2;;-5.19;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM460340;MM460340;C#CCC(=C)C(=O)N(C)N;KMXQCZVRKGOSON-UHFFFAOYSA-N;138.17;-0.1;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_N0";;;;;;;0.06;;-2.21;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM460341;MM460341;C#CC1OC1C1CN1C=N;DCYHLWNHRNJSQH-UHFFFAOYSA-N;136.15;-0.32;;;;;DOPC;MDCG;27;1;"MARTINI bead: SP2_SNa";;;;;;;-0.24;;-5.74;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM460342;MM460342;C#CC1C(C)C1CNC=N;WTSYBXCARQWJOS-UHFFFAOYSA-N;136.2;0.7;;;;;DOPC;MDCG;27;1;"MARTINI bead: P3_SC5";;;;;;;-0.33;;-6.02;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM460343;MM460343;C#CC1OC1C1CN1C=O;DRXVAWRTEWNMOQ-UHFFFAOYSA-N;137.14;-0.77;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP2_SNa";;;;;;;-0.24;;-3.24;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM460344;MM460344;C#CC1C(N)C1CNC=N;OXHTWCCHBJCSTL-UHFFFAOYSA-N;137.19;-0.61;;;;;DOPC;MDCG;27;1;"MARTINI bead: SP1_P3";;;;;;;-1.93;;-8.63;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM460345;MM460345;C#CC1CN1C1CC1C=C;CCCPMLIALMKCDZ-UHFFFAOYSA-N;133.19;0.88;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNd_SP3";;;;;;;-1.1;;-3.93;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM460346;MM460346;C#CC1C(C)C1COC=C;QKEFVUJJNUXRBI-UHFFFAOYSA-N;136.19;1.66;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_SC5";;;;;;;1.64;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM460347;MM460347;C#CC1CC1C1NC1C#C;ALVWYBIIZCNSFY-UHFFFAOYSA-N;131.18;0.23;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC5_SP3";;;;;;;-0.33;;-2.01;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM460348;MM460348;C#CC1C(F)C1COC=C;SVCZCZBQBZGCRN-UHFFFAOYSA-N;140.16;1.36;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_SNa";;;;;;;0.87;;-2.22;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM460349;MM460349;C#CC1CC1N1CC1C#C;YEWFMHBFTOOATG-UHFFFAOYSA-N;131.18;0.33;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP1_SP3";;;;;;;-1.93;;-4.72;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM460350;MM460350;C#CC1C(O)C1NNC=N;LSUBUPWPQIOSBY-UHFFFAOYSA-N;139.16;-1.32;;;;;DOPC;MDCG;27;1;"MARTINI bead: P4_SP1";;;;;;;-2.01;;-7.94;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM460351;MM460351;CC(=O)OC(=N)NC=CF;SGLOLRJJAISFOP-UHFFFAOYSA-N;146.12;0.51;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_Nda";;;;;;;0.04;;-2.73;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM460352;MM460352;C#CC1C(C)C1OCC=C;VSLDUUFJXFZVNP-UHFFFAOYSA-N;136.19;1.46;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_SC5";;;;;;;1.64;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM460353;MM460353;c1coc(=NOC2CC2)o1;XKYGUSKECGVZHO-UHFFFAOYSA-N;141.13;0.87;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP1_SP2";;;;;;;-1.06;;-3.82;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM460354;MM460354;C#CC1C(N)C1OCC=C;UMYTWXCTOLLEMR-UHFFFAOYSA-N;137.18;0.15;;;;;DOPC;MDCG;27;1;"MARTINI bead: Na_SP1";;;;;;;0.04;;-4.03;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM460355;MM460355;C#CC(=N)NC(C)=NOC;GKEYDJKKRQMELQ-UHFFFAOYSA-N;139.16;0.17;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_P2";;;;;;;-0.24;;-3.24;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM460356;MM460356;c1noc(=NOC2CC2)o1;ZIQSAHPLHKXNKK-UHFFFAOYSA-N;142.11;0.26;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP1_SP2";;;;;;;-1.06;;-3.82;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM460357;MM460357;C=CC(C)NNC(=N)C#N;WJBWOEHWFZSBSP-UHFFFAOYSA-N;138.17;0.16;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nd_P2";;;;;;;-0.24;;-3.16;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM460358;MM460358;C#CC1C(CCC#N)N1C;SFCFFQSHPCZHOT-UHFFFAOYSA-N;134.18;0.61;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_SP1";;;;;;;-0.79;;-3.13;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM460359;MM460359;C1CC1NN=c1onno1;MJJKBSXWQRQRHV-UHFFFAOYSA-N;142.12;-0.77;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP1_SP1";;;;;;;-0.79;;-3.13;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM460360;MM460360;C#CC1C(CNC=N)N1C;UHZYGDHXKRUUPR-UHFFFAOYSA-N;137.19;-0.5;;;;;DOPC;MDCG;27;1;"MARTINI bead: SP1_P3";;;;;;;-1.93;;-8.49;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM460361;MM460361;C1CC1ON=c1onno1;DNMNAMQRRVCSMA-UHFFFAOYSA-N;143.1;-0.34;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP1_SP1";;;;;;;-0.79;;-3.13;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM460362;MM460362;CCC1CC1C1C(C)C1C;IQIRURNYEKQGIL-UHFFFAOYSA-N;138.25;2.93;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC3_SC5";;;;;;;3.34;;0.48;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM460363;MM460363;C#CC1C(CNN=C)N1C;WLUVUVBLNGVMRM-UHFFFAOYSA-N;137.19;-0.49;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP1_P2";;;;;;;-1.06;;-3.82;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM460364;MM460364;C#CC1C(COC=C)N1C;VOJMDSVYOVQRRR-UHFFFAOYSA-N;137.18;0.46;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_SP1";;;;;;;0.04;;-2.54;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM460365;MM460365;CC1C(C)C1C1CC1CF;JJAIIODLLNYOOB-UHFFFAOYSA-N;142.22;2.49;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC5_SC5";;;;;;;2.41;;0.64;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM460366;MM460366;C#CC1C(C)N1CCC=C;QKFYMDOIZKABPY-UHFFFAOYSA-N;135.21;1.27;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP2_Nd";;;;;;;-0.24;;-3.16;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM460367;MM460367;CC1C(C)C1C1NC1CF;OGEKFDAOQWHQML-UHFFFAOYSA-N;143.21;1.2;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC5_SP1";;;;;;;0.81;;-0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM460368;MM460368;C#CCCC1C(C)C1C#C;ZZZXYWMFAMLYAP-UHFFFAOYSA-N;132.21;1.92;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_SC5";;;;;;;2.41;;0.64;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM460369;MM460369;NCC1NC1C1C(N)C1O;PMXSMPPEEYNXSE-UHFFFAOYSA-N;143.19;-2.4;;;;;DOPC;MDCG;27;1;"MARTINI bead: SP2_SP2";;;;;;;-1.34;;-6.42;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM460370;MM460370;C#CCOC1C(F)C1C#C;JYROCQCYEIEJPD-UHFFFAOYSA-N;138.14;0.61;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNa_Na";;;;;;;0.87;;-2.22;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM460371;MM460371;CCC1OC1C1C(O)C1O;OPNIHWXFOYUUSW-UHFFFAOYSA-N;144.17;-0.48;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNa_SP2";;;;;;;-0.24;;-3.24;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM460372;MM460372;C#CCCN1C(C)C1C#C;QWMRZOXJDNFQKY-UHFFFAOYSA-N;133.19;0.72;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP2_Nd";;;;;;;-0.24;;-3.16;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM460373;MM460373;C=CC1CC1C1C(C)C1C;QXCAQKRXIYJXEU-UHFFFAOYSA-N;136.24;2.71;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC5_SC4";;;;;;;2.97;;0.45;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM460374;MM460374;CC=CCC1C(C)C1CC;HTWDHKDJJBECMM-UHFFFAOYSA-N;138.25;3.24;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC3_C2";;;;;;;4.53;;0.32;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM460375;MM460375;CC1C(C)C1C1CC1C=O;SMNFIBJCCMAXAA-UHFFFAOYSA-N;138.21;1.72;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC5_SNa";;;;;;;1.64;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM460376;MM460376;COC(=O)ONC(=N)CF;IMYVOMBLQUFBJF-UHFFFAOYSA-N;150.11;0.22;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_P2";;;;;;;-0.24;;-3.24;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM460377;MM460377;C=CC1OC1C1C(C)C1N;SBXBYRXAIVAIHR-UHFFFAOYSA-N;139.2;0.53;;;;;DOPC;MDCG;27;1;"MARTINI bead: SNd_SNa";;;;;;;0.87;;-4.47;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM460378;MM460378;CC=CCC1C(F)C1CC;QBBFUUUNPDLMQX-UHFFFAOYSA-N;142.22;2.95;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC5_C2";;;;;;;3.6;;0.34;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM460379;MM460379;CC1C(C)C1C1CN1C=N;CPWKMGPMUZBWCN-UHFFFAOYSA-N;138.21;1.18;;;;;DOPC;MDCG;27;1;"MARTINI bead: SC5_SP2";;;;;;;0.54;;-4.26;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM460380;MM460380;CCC1C(C)C1CC=NN;YLJCONVNSKMTOL-UHFFFAOYSA-N;140.23;1.61;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC3_Nd";;;;;;;2.57;;0.53;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM460381;MM460381;CC1C(C)C1C1CN1C=O;ISMZJCOSIABZIO-UHFFFAOYSA-N;139.2;0.73;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC5_SP2";;;;;;;0.54;;-1.09;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM460382;MM460382;NCC1C(N)C1CC=NO;CAIPIEZSSWJUBY-UHFFFAOYSA-N;143.19;-0.63;;;;;DOPC;MDCG;27;1;"MARTINI bead: SP2_P1";;;;;;;-1.06;;-6.33;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM460383;MM460383;CC1C(N)C1C1CN1C=N;OHZCDGGSQKRKKD-UHFFFAOYSA-N;139.2;-0.13;;;;;DOPC;MDCG;27;1;"MARTINI bead: SNd_SP2";;;;;;;-0.24;;-6.32;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM460384;MM460384;CC1C(O)C1C1CN1C=N;LXFBQKCDDKHEJX-UHFFFAOYSA-N;140.19;-0.1;;;;;DOPC;MDCG;27;1;"MARTINI bead: SNda_SP2";;;;;;;-0.24;;-6.42;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM460385;MM460385;C#CC(=O)ONC(=N)CF;XMYMMYIZLZKUDW-UHFFFAOYSA-N;144.11;-0.39;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_Nda";;;;;;;-0.24;;-3.31;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM460386;MM460386;CNC1C(N)C1CC=CF;TTZIKAVJCKSKLQ-UHFFFAOYSA-N;144.19;0.4;;;;;DOPC;MDCG;27;1;"MARTINI bead: SP2_C4";;;;;;;1.09;;-2.75;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM460387;MM460387;NC1C(N)C1C1CN1C=O;DNGNYJQIXDLBSL-UHFFFAOYSA-N;141.17;-1.89;;;;;DOPC;MDCG;27;1;"MARTINI bead: SP3_SP2";;;;;;;-2.2;;-6.84;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM460388;MM460388;CC=CCC1C(O)C1OC;QDDRXDVDRLOZCE-UHFFFAOYSA-N;142.2;0.96;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP1_C2";;;;;;;2;;0.29;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM460389;MM460389;N=CN1CC1C1C(N)C1O;RZJJAONVJQMAKO-UHFFFAOYSA-N;141.17;-1.4;;;;;DOPC;MDCG;27;1;"MARTINI bead: SP2_SP2";;;;;;;-1.34;;-7.41;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM460390;MM460390;CCC1C(C)C1N=CNN;RMAVVHHMAUJFCW-UHFFFAOYSA-N;141.22;0.52;;;;;DOPC;MDCG;27;1;"MARTINI bead: SC3_P3";;;;;;;0.6;;-2.4;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM460391;MM460391;C=NN1CC1C1C(C)C1C;YJBMSYPMRZHYBQ-UHFFFAOYSA-N;138.21;1.19;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC5_SP2";;;;;;;0.54;;-1.09;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM460392;MM460392;CCC1C(O)C1N=CNC;SFLJQKULWKSJNU-UHFFFAOYSA-N;142.2;;;;;;DOPC;MDCG;27;1;"MARTINI bead: SNda_P1";;;;;;;0.04;;-5.5;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM460393;MM460393;C=NN1CC1C1C(C)C1N;CPQMQOVNGBHFBB-UHFFFAOYSA-N;139.2;-0.12;;;;;DOPC;MDCG;27;1;"MARTINI bead: SNd_SP2";;;;;;;-0.24;;-5.48;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM460394;MM460394;CN=C(C=O)NNC(C)C;VJQATGNIKXQJGF-UHFFFAOYSA-N;143.19;-0.28;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_Nd";;;;;;;-0.24;;-3.16;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM460395;MM460395;CC#CCNN=CC(C)C;NIYFJUCCUNHNFD-UHFFFAOYSA-N;138.21;1.24;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4_Nd";;;;;;;2.2;;0.32;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM460396;MM460396;NC1C(CO)C1OC=NO;KGMQHASMYMXFTG-UHFFFAOYSA-N;146.15;-1.26;;;;;DOPC;MDCG;27;1;"MARTINI bead: SP2_P2";;;;;;;-1.34;;-5.68;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM460397;MM460397;C=NN1CC1C1C(N)C1N;OOCXOUGDDVNJJW-UHFFFAOYSA-N;140.19;-1.43;;;;;DOPC;MDCG;27;1;"MARTINI bead: SP3_SP2";;;;;;;-2.2;;-6.94;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM460398;MM460398;CC=COC1C(C)C1NC;HJQZBSBYVKALFA-UHFFFAOYSA-N;141.21;1.14;;;;;DOPC;MDCG;27;1;"MARTINI bead: SNd_C5";;;;;;;1.64;;-1.9;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM460399;MM460399;C=NN1CC1C1C(N)C1O;HKZZLDGMTFFKKA-UHFFFAOYSA-N;141.17;-1.4;;;;;DOPC;MDCG;27;1;"MARTINI bead: SP2_SP2";;;;;;;-1.34;;-5.93;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM460400;MM460400;C=CC(=NC)NN=C(C)C;DTEIDCMEOPJRHY-UHFFFAOYSA-N;139.2;1.19;;;;;DOPC;MDCG;27;0;"MARTINI bead: N0_Nd";;;;;;;1.17;;-1.04;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM460401;MM460401;CCON=C(C)NOCC;VWFZXKQTZKEYBE-UHFFFAOYSA-N;146.19;0.9;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_C5";;;;;;;0.81;;-0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM460402;MM460402;CC=CCC1C(CN)N1C;QLXFQFOFULYYBM-UHFFFAOYSA-N;140.23;0.59;;;;;DOPC;MDCG;27;1;"MARTINI bead: C2_SP2";;;;;;;1.72;;-1.24;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM460403;MM460403;CC1C(C2NC2C#N)N1C;QTDNHPNRWCZQNK-UHFFFAOYSA-N;137.19;-0.45;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNd_SP2";;;;;;;-0.24;;-3.16;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM460404;MM460404;C=CN(C)C(=O)C(=N)NN;BPJMWERSACVANU-UHFFFAOYSA-N;142.16;-0.97;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nd_P3";;;;;;;-1.1;;-3.93;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM460405;MM460405;CC1C(C2CN2C=N)N1C;FKHNWPXZUJIJTQ-UHFFFAOYSA-N;139.2;-0.02;;;;;DOPC;MDCG;27;1;"MARTINI bead: SNd_SP2";;;;;;;-0.24;;-5.99;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM460406;MM460406;C=CC1C(C)C1CC=CF;YSYAITWHGAPENN-UHFFFAOYSA-N;140.2;2.93;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4_SC4";;;;;;;3.53;;0.53;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM460407;MM460407;C#CC1NC1C1C(N)C1O;AUWDFUWCIIXAFN-UHFFFAOYSA-N;138.17;-1.72;;;;;DOPC;MDCG;27;1;"MARTINI bead: SP2_SP3";;;;;;;-2.2;;-6.81;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM460408;MM460408;C=CC1C(N)C1CC=CC;OBGGNJBVYDBLJT-UHFFFAOYSA-N;137.23;1.71;;;;;DOPC;MDCG;27;1;"MARTINI bead: C2_SNd";;;;;;;2.83;;-0.56;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM460409;MM460409;CNN=CCOC(=O)C#N;FTDDBMVRBJTNAM-UHFFFAOYSA-N;141.13;-0.74;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nd_P1";;;;;;;0.04;;-2.63;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM460410;MM460410;C=CC1C(C)C1CC=NO;MRVSGFJPXWKJTR-UHFFFAOYSA-N;139.2;1.9;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_SC4";;;;;;;1.37;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM460411;MM460411;C#CC1OC1C1C(N)C1N;LQXYROQNAMBEEB-UHFFFAOYSA-N;138.17;-1.33;;;;;DOPC;MDCG;27;1;"MARTINI bead: SP3_SNa";;;;;;;-1.1;;-6.21;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM460412;MM460412;C=CC1C(C)C1NN=CC;JCJZXNQBUMZCFP-UHFFFAOYSA-N;138.21;1.4;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nd_SC4";;;;;;;2.2;;0.32;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM460413;MM460413;C=CC#CCNN=CCC;VYSAHZWNXSGQGM-UHFFFAOYSA-N;136.2;1.16;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nd_C4";;;;;;;2.2;;0.32;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM460414;MM460414;CC(=CN)C(=O)N(C)C=N;JQGPPCGWZCBWTA-UHFFFAOYSA-N;141.17;-0.09;;;;;DOPC;MDCG;27;0;"MARTINI bead: P3_Nd";;;;;;;-1.1;;-3.93;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM460415;MM460415;CC1C(C)C1C(=O)N1CC1;CCYYESPVYAWNFG-UHFFFAOYSA-N;139.2;0.73;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC5_SP2";;;;;;;0.54;;-1.09;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM460416;MM460416;C=CC1C(N)C1ON=CC;SSXCTIUMHQPNBN-UHFFFAOYSA-N;140.19;0.52;;;;;DOPC;MDCG;27;1;"MARTINI bead: Na_SNd";;;;;;;0.87;;-3.11;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM460417;MM460417;CC1C(C)N1C(=N)N1CC1;PFLGYAVBOQYHSC-UHFFFAOYSA-N;139.2;0.33;;;;;DOPC;MDCG;27;1;"MARTINI bead: SP1_SP2";;;;;;;-1.06;;-8.02;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM460418;MM460418;CC=NOC1C(F)C1C#N;ATMTYRIFQLOYHZ-UHFFFAOYSA-N;142.13;0.87;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_SNa";;;;;;;0.87;;-2.22;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM460419;MM460419;NCC1CC1C=CC1CO1;DZFQZAZAMFLOPB-UHFFFAOYSA-N;139.2;0.54;;;;;DOPC;MDCG;27;1;"MARTINI bead: SNd_SNa";;;;;;;0.87;;-4.67;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM460420;MM460420;C=CC1C(CC=CC)N1C;YDKLBVAXJOCUFK-UHFFFAOYSA-N;137.23;1.82;;;;;DOPC;MDCG;27;0;"MARTINI bead: C2_SNd";;;;;;;2.83;;0.64;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM460421;MM460421;C#CC1C(C)C1CC1CO1;MLIMYNYHMIKILE-UHFFFAOYSA-N;136.19;1.29;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNa_SC5";;;;;;;1.64;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM460422;MM460422;CCC12CC3C(C1)C3C2C;XWJBJUYHUVVKMA-UHFFFAOYSA-N;136.24;2.69;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC1_SC3";;;;;;;4.61;;0.31;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM460423;MM460423;CC=CCC1C(C)N1C=N;IDEDKBGVSQJFKU-UHFFFAOYSA-N;138.21;1.63;;;;;DOPC;MDCG;27;1;"MARTINI bead: C2_SP1";;;;;;;2;;-1.49;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM460424;MM460424;C=C1C2C3CC1(C#N)CC32;IVSDSKNUVLTQHN-UHFFFAOYSA-N;131.18;1.72;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC4_SC5";;;;;;;2.97;;0.45;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM460425;MM460425;CC1C(CC=CF)N1C=N;MLODJKDDDIHNSP-UHFFFAOYSA-N;142.18;1.54;;;;;DOPC;MDCG;27;1;"MARTINI bead: C4_SP1";;;;;;;1.37;;-2.81;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM460426;MM460426;C=NN1C(C)C1CC=CC;GPFIUOKYWMDIQB-UHFFFAOYSA-N;138.21;1.64;;;;;DOPC;MDCG;27;0;"MARTINI bead: C2_SP1";;;;;;;2;;0.3;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM460427;MM460427;C=C1C2C3CC1(C#N)CN32;VJKLRIILVJZXFE-UHFFFAOYSA-N;132.17;0.52;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP2_SC4";;;;;;;1.09;;-0.38;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM460428;MM460428;C=CC1C(C)N1CC=NN;JZYJNZLHYAUANC-UHFFFAOYSA-N;139.2;0.19;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP1_P3";;;;;;;-1.93;;-4.72;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM460429;MM460429;C#CC12CC3C(C1)C3C2=C;HQOAKKBMIVWKCT-UHFFFAOYSA-N;130.19;1.83;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC4_SC3";;;;;;;3.9;;0.47;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM460430;MM460430;C#CC1C(N)C1CC=CC;WEFIEMFAKHHEJN-UHFFFAOYSA-N;135.21;1.16;;;;;DOPC;MDCG;27;1;"MARTINI bead: C2_SP1";;;;;;;2;;-0.92;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM460431;MM460431;C#CC12CC3C(C1=C)N3C2;PZVVKOMFWSLAMH-UHFFFAOYSA-N;131.18;0.63;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP2_SC4";;;;;;;1.09;;-0.38;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM460432;MM460432;C#CC1C(C)C1CC=NN;ZQWPJFPZJXNRMF-UHFFFAOYSA-N;136.2;0.84;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nd_SC5";;;;;;;1.64;;0.02;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM460433;MM460433;C#CCNN=CC=CC=O;LSSQZLHSULKKPV-UHFFFAOYSA-N;136.15;-0.05;;;;;DOPC;MDCG;27;0;"MARTINI bead: Na_Nd";;;;;;;0.87;;-1.88;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM460434;MM460434;C=NNCC(=O)OC=CC;FGDHYUMQBUUOQS-UHFFFAOYSA-N;142.16;0.27;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_P2";;;;;;;0.54;;-1.09;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM460435;MM460435;CCC12CC3C(N)C3C1C2;QGFPEPJHYPDIRZ-UHFFFAOYSA-N;137.23;1.38;;;;;DOPC;MDCG;27;1;"MARTINI bead: SC2_SNd";;;;;;;2.83;;-0.61;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM460436;MM460436;C#CC=CC(F)C=NN=C;LSPGQDPFMYNVNV-UHFFFAOYSA-N;138.15;1.2;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_N0";;;;;;;1.94;;0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM460437;MM460437;NCC12CC3C(O)C3C1C2;SFSIQGVKMVJCIZ-UHFFFAOYSA-N;139.2;-0.04;;;;;DOPC;MDCG;27;1;"MARTINI bead: SNd_SNda";;;;;;;0.87;;-4.41;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM460438;MM460438;C#CC1C(CC=NN)N1C;TVGTXZQDCJSLEN-UHFFFAOYSA-N;137.19;-0.36;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nd_SP1";;;;;;;0.04;;-2.63;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM460439;MM460439;NCC12CC3C(F)C3C1C2;QBKAVZIQNUJNIF-UHFFFAOYSA-N;141.19;0.94;;;;;DOPC;MDCG;27;1;"MARTINI bead: SNd_SNa";;;;;;;0.87;;-4.38;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM460440;MM460440;C#CC1C(C)N1CC=CC;NIZWODSPBXCTTE-UHFFFAOYSA-N;135.21;1.27;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nd_SP2";;;;;;;-0.24;;-3.16;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM460441;MM460441;CNC12CC3C(C)C3C1C2;ZUYCJUGBLYHBFF-UHFFFAOYSA-N;137.23;1.25;;;;;DOPC;MDCG;27;1;"MARTINI bead: SNd_SC5";;;;;;;1.64;;-2.76;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM460442;MM460442;C#CC1C(C)N1CC=NO;OJLVVMVTIREEMM-UHFFFAOYSA-N;138.17;0.15;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP2_P3";;;;;;;-2.2;;-5.19;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM460443;MM460443;CNC12CC3C(N)C3C1C2;CMFYDZGHGMEWFP-UHFFFAOYSA-N;138.21;-0.06;;;;;DOPC;MDCG;27;1;"MARTINI bead: SNd_SNd";;;;;;;0.87;;-5.17;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM460444;MM460444;CC#CCC1C(C)C1CC;OARAPKZGJQLGNX-UHFFFAOYSA-N;136.24;2.69;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC3_C4";;;;;;;3.9;;0.47;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM460445;MM460445;CCC12CC3C(N)C3C1N2;JEKSRMQWWGUFMV-UHFFFAOYSA-N;138.21;0.08;;;;;DOPC;MDCG;27;1;"MARTINI bead: SNd_SNd";;;;;;;0.87;;-4.43;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM460446;MM460446;CC#CCC1C(C)C1CN;YUNBGNBBAUEXRJ-UHFFFAOYSA-N;137.23;1.24;;;;;DOPC;MDCG;27;1;"MARTINI bead: C4_SNd";;;;;;;2.2;;-2.21;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM460447;MM460447;NCC12CC3C(N)C3C1N2;VXYHKSGHBIPTPK-UHFFFAOYSA-N;139.2;-1.37;;;;;DOPC;MDCG;27;1;"MARTINI bead: SP2_SNd";;;;;;;-0.24;;-5.62;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM460448;MM460448;CC#CCC1C(N)C1OC;GZYRBUCIQKGNLR-UHFFFAOYSA-N;139.2;0.37;;;;;DOPC;MDCG;27;1;"MARTINI bead: SP1_C4";;;;;;;1.37;;-1.78;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM460449;MM460449;CC1C2CC3(CN)OC3C12;CLNLXMBLXGZIRR-UHFFFAOYSA-N;139.2;0.37;;;;;DOPC;MDCG;27;1;"MARTINI bead: SP1_SC5";;;;;;;0.81;;-2.53;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM460450;MM460450;CC#CCN1C(C)C1CC;HPSOHFHSVQOUGE-UHFFFAOYSA-N;137.23;1.49;;;;;DOPC;MDCG;27;0;"MARTINI bead: SN0_Nd";;;;;;;1.17;;-1.04;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM460451;MM460451;CCC12CC3C(N)C3C1O2;RJMGKSFFFRAXHK-UHFFFAOYSA-N;139.2;0.51;;;;;DOPC;MDCG;27;1;"MARTINI bead: SC5_SNd";;;;;;;1.64;;-2.47;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM460452;MM460452;CCC12CC3C(O)C3C1O2;AQLSFDHXGKNNMJ-UHFFFAOYSA-N;140.18;0.54;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC5_SP1";;;;;;;0.81;;-0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM460453;MM460453;CCC12CC3C(F)C3C1O2;HTNVUPSTEWMULN-UHFFFAOYSA-N;142.17;1.52;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC5_SNa";;;;;;;1.64;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM460454;MM460454;CN1C2CC3(CN)CC3C21;FZOGOIVKJQYJCO-UHFFFAOYSA-N;138.21;0.04;;;;;DOPC;MDCG;27;1;"MARTINI bead: SNd_SP1";;;;;;;0.04;;-5.15;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM460455;MM460455;CCC12CC1C1C(C)N1C2;TZZVOVJWGJXRDJ-UHFFFAOYSA-N;137.23;1.49;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC3_SP1";;;;;;;1.74;;0.32;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM460456;MM460456;CC1C2C3CC3(CN)CN12;XXMRTCONIMATSZ-UHFFFAOYSA-N;138.21;0.04;;;;;DOPC;MDCG;27;1;"MARTINI bead: SP1_SNd";;;;;;;0.04;;-4.79;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM460457;MM460457;CC1C2C3NC3(CN)CN12;WMMQEUVQUGZCRN-UHFFFAOYSA-N;139.2;-1.26;;;;;DOPC;MDCG;27;1;"MARTINI bead: SP1_SP2";;;;;;;-1.06;;-5.47;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM460458;MM460458;CCC12CC3C(C)N3C1C2;VDYUNUGNXXKIHL-UHFFFAOYSA-N;137.23;1.63;;;;;DOPC;MDCG;27;0;"MARTINI bead: SN0_SNd";;;;;;;1.17;;-1.04;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM460459;MM460459;CC1C2CC3(CN)CN3C12;HRYFWHSATPRJKB-UHFFFAOYSA-N;138.21;0.04;;;;;DOPC;MDCG;27;1;"MARTINI bead: SP1_SC5";;;;;;;0.81;;-2.48;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM460460;MM460460;C=CC12CC3C(C)C3C1C2;VQEWSXGLEJJBHU-UHFFFAOYSA-N;134.22;2.46;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC4_SC5";;;;;;;2.97;;0.45;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM460461;MM460461;CC1C2CC3(C=O)CC3C12;WXMSVIWFXXRTMB-UHFFFAOYSA-N;136.19;1.48;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNa_SC5";;;;;;;1.64;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM460462;MM460462;CC1C2CC3(C#N)OC3C12;OVWXFXJGNCXMSS-UHFFFAOYSA-N;135.17;0.93;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNa_SC5";;;;;;;1.64;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM460463;MM460463;C=CC12CC3C(N)C3C1O2;UQUGVJZIHFWRDO-UHFFFAOYSA-N;137.18;0.29;;;;;DOPC;MDCG;27;1;"MARTINI bead: SNa_SP1";;;;;;;0.04;;-5.1;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM460464;MM460464;C=CC12CC3C(O)C3C1O2;PEFZJNQWTNYMCJ-UHFFFAOYSA-N;138.17;0.32;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNa_SP1";;;;;;;0.04;;-2.54;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM460465;MM460465;N#CC12CC3C(O)C3C1O2;FENVUOGYMVYLSV-UHFFFAOYSA-N;137.14;-0.34;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNa_SP1";;;;;;;0.04;;-2.54;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM460466;MM460466;CN1C2CC3(C=O)CC3C21;SEVPCOBVAAZHTO-UHFFFAOYSA-N;137.18;0.28;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNa_SP1";;;;;;;0.04;;-2.54;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM460467;MM460467;CN1C2CC3(C=O)NC3C21;VPXFEOISRJFKJE-UHFFFAOYSA-N;138.17;-1.02;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP1_SP1";;;;;;;-0.79;;-3.13;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM460468;MM460468;CN1C2CC3(C#N)NC3C21;ZKMSRPMYGAVLFR-UHFFFAOYSA-N;135.17;-0.69;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP1_SP1";;;;;;;-0.79;;-3.13;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM460469;MM460469;CC1C2CC3(C#N)CC3N12;LTBUCZUZPHPGCR-UHFFFAOYSA-N;134.18;0.75;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP1_SNd";;;;;;;0.04;;-2.63;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM460470;MM460470;C#CC12CC3C(C)C3C1O2;FWMAUHILDKWBRQ-UHFFFAOYSA-N;134.18;1.04;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNa_SC5";;;;;;;1.64;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM460471;MM460471;C#CC12CC3C(C1N2)N3C;WKZUXMXEHQBBDC-UHFFFAOYSA-N;134.18;-0.58;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNd_SP1";;;;;;;0.04;;-2.63;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM460472;MM460472;C#CC(CCCC)C1CC1;QRTGXJZXEYENSH-UHFFFAOYSA-N;136.24;2.84;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1_SC4";;;;;;;4.24;;0.42;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM460473;MM460473;C#CC(ON=CC)C1CN1;QYJRALXNUZFXTK-UHFFFAOYSA-N;138.17;-0.02;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_SP2";;;;;;;0.54;;-1.09;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM460474;MM460474;C#CC(C=CC=O)C1CC1;ARGQRPRZTZJXMD-UHFFFAOYSA-N;134.18;1.4;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_SC5";;;;;;;2.41;;0.64;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM460475;MM460475;C#CC=CC(C#C)C1CC1;XNPOOVDHCHZVDM-UHFFFAOYSA-N;130.19;1.84;;;;;DOPC;MDCG;27;0;"MARTINI bead: C3_SC5";;;;;;;3.34;;0.48;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM460476;MM460476;C#CC#CC(CC)C1CC1;CUZSFAIFPNSDBT-UHFFFAOYSA-N;132.21;2.06;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1_SC5";;;;;;;3.68;;0.46;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM460477;MM460477;C=CC(C#CCN)C1CC1;XEUAXSRUFYPALZ-UHFFFAOYSA-N;135.21;1.16;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_SC5";;;;;;;1.64;;-1.38;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM460478;MM460478;C=CC#CC(C=C)C1CC1;PYOSCYSTRZASCO-UHFFFAOYSA-N;132.21;2.39;;;;;DOPC;MDCG;27;0;"MARTINI bead: C2_SC5";;;;;;;3.6;;0.34;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM460479;MM460479;C=CC#CC(C#N)C1CC1;DKCRYEOKNAJKDR-UHFFFAOYSA-N;131.18;1.73;;;;;DOPC;MDCG;27;0;"MARTINI bead: N0_SC5";;;;;;;1.94;;0.52;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM460480;MM460480;N#CC#CC(C#N)C1CC1;GPJCMIGDQKCIOX-UHFFFAOYSA-N;130.15;1.06;;;;;DOPC;MDCG;27;0;"MARTINI bead: P2_SC5";;;;;;;0.54;;-1.09;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM460481;MM460481;C#CC(C#CCC)C1CC1;YNPRLKXVSBWNFX-UHFFFAOYSA-N;132.21;2.06;;;;;DOPC;MDCG;27;0;"MARTINI bead: C1_SC5";;;;;;;3.68;;0.46;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM460482;MM460482;C#CC(C#CCN)C1CC1;XOPNSCSKCVNKRG-UHFFFAOYSA-N;133.19;0.61;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_SC5";;;;;;;1.64;;-1.36;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM460483;MM460483;C#CC(C#CCN)C1CN1;HZHXLZVJFQORNH-UHFFFAOYSA-N;134.18;-0.83;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_SP2";;;;;;;-0.24;;-4.61;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM460484;MM460484;C#CC(C#CCN)C1CO1;FRQDPRRPKNHARP-UHFFFAOYSA-N;135.17;-0.4;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_SP1";;;;;;;0.04;;-4.08;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM460485;MM460485;C#CC(C#CCN)N1CC1;HTXJOESUXFBXMK-UHFFFAOYSA-N;134.18;-0.73;;;;;DOPC;MDCG;27;1;"MARTINI bead: Nd_SP2";;;;;;;-0.24;;-4.56;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM460486;MM460486;C#CC(C#CC=C)C1CC1;FSTCUHGABSVNPX-UHFFFAOYSA-N;130.19;1.84;;;;;DOPC;MDCG;27;0;"MARTINI bead: C3_SC5";;;;;;;3.34;;0.48;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM460487;MM460487;C#CC(C#CC#N)C1CC1;KLIUGRRHCPPMNV-UHFFFAOYSA-N;129.16;1.17;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_SC5";;;;;;;2.41;;0.64;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM460488;MM460488;C#CC(C#CC=C)C1CO1;SJOZCFGWZHDPCJ-UHFFFAOYSA-N;132.16;0.82;;;;;DOPC;MDCG;27;0;"MARTINI bead: C3_SP1";;;;;;;1.74;;0.29;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM460489;MM460489;C#CC(C#CC=C)N1CC1;CWEAPMRVBZUARP-UHFFFAOYSA-N;131.18;0.49;;;;;DOPC;MDCG;27;0;"MARTINI bead: C3_SP2";;;;;;;1.46;;-0.15;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM460490;MM460490;C#CC(C#CC#N)N1CC1;ITWQEKAKOCKOSV-UHFFFAOYSA-N;130.15;-0.17;;;;;DOPC;MDCG;27;0;"MARTINI bead: C5_SP2";;;;;;;0.54;;-1.09;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM460491;MM460491;C#CC#CC(C#C)C1CC1;JMTFZINHTIONAI-UHFFFAOYSA-N;128.17;1.28;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4_SC5";;;;;;;2.97;;0.45;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM460492;MM460492;C#CC#CC(C#C)C1CO1;NWALQLDOGQOWLL-UHFFFAOYSA-N;130.15;0.27;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4_SP1";;;;;;;1.37;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM460493;MM460493;C#CC#CC(C#C)N1CC1;MQHNXKBONDBBGK-UHFFFAOYSA-N;129.16;-0.06;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4_SP2";;;;;;;1.09;;-0.38;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM460494;MM460494;C#CCC=C(C#C)C1CC1;UOMCPLNCNZHQHD-UHFFFAOYSA-N;130.19;1.98;;;;;DOPC;MDCG;27;0;"MARTINI bead: C3_SC5";;;;;;;3.34;;0.48;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM460495;MM460495;C#CCC=C(C#C)C1CN1;RMCMRYGJBJVDAQ-UHFFFAOYSA-N;131.18;0.54;;;;;DOPC;MDCG;27;0;"MARTINI bead: C3_SP2";;;;;;;1.46;;-0.13;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM460496;MM460496;C#CC(=CC=NN)C1CC1;AVWNEAJMGHYPBC-UHFFFAOYSA-N;134.18;0.9;;;;;DOPC;MDCG;27;0;"MARTINI bead: Nd_SC5";;;;;;;1.64;;0.02;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM460497;MM460497;C#CC(=CC=NO)C1CC1;OBCJKNMVKIZSMX-UHFFFAOYSA-N;135.17;1.42;;;;;DOPC;MDCG;27;0;"MARTINI bead: P1_SC4";;;;;;;1.37;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM460498;MM460498;C#CC(=CC#CC)C1CC1;ZLYBTWUKPBDPII-UHFFFAOYSA-N;130.19;1.98;;;;;DOPC;MDCG;27;0;"MARTINI bead: C4_SC4";;;;;;;3.53;;0.53;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM460499;MM460499;CC1C(F)C(C)C1C1CC1;UNVXGDMNIAQVRP-UHFFFAOYSA-N;142.22;2.64;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC4_SC3";;;;;;;3.9;;0.47;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM460500;MM460500;NC1C(F)C(N)C1C1CC1;DLBMUIZUVPFIJE-UHFFFAOYSA-N;144.19;0.02;;;;;DOPC;MDCG;27;1;"MARTINI bead: SP2_SC3";;;;;;;1.46;;-1.56;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM460501;MM460501;NC1C(O)C(O)C1C1CC1;XMFBUIAWYGRXNN-UHFFFAOYSA-N;143.19;-0.92;;;;;DOPC;MDCG;27;1;"MARTINI bead: SP1_SNda";;;;;;;0.04;;-4.55;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM460502;MM460502;CC1C(F)C(C)C1C1CO1;SRHUXVRRZCLCEV-UHFFFAOYSA-N;144.19;1.63;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC4_SNa";;;;;;;2.2;;0.34;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM460503;MM460503;CC1C(O)C(=O)N1C1CC1;CTPFWCLMKQJSCU-UHFFFAOYSA-N;141.17;-0.26;;;;;DOPC;MDCG;27;0;"MARTINI bead: SP2_SNda";;;;;;;-0.24;;-3.31;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM460504;MM460504;CC1C(=O)C(C2CO2)C1C;MYEBELACYLDFPE-UHFFFAOYSA-N;140.18;0.86;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC4_SNa";;;;;;;2.2;;0.34;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM460505;MM460505;CCC1CC(C2CC2)N1C;MAYWNMMUTFWDBG-UHFFFAOYSA-N;139.24;1.88;;;;;DOPC;MDCG;27;1;"MARTINI bead: SNd_SN0";;;;;;;1.17;;-3.73;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM460506;MM460506;C#CC1CC1C(C)C1CC1;QXNSTAVNWNULMG-UHFFFAOYSA-N;134.22;2.3;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC5_SC4";;;;;;;2.97;;0.45;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM460507;MM460507;N#CC1CC1C(=N)N1CC1;ZZIWMDAUBPFWOC-UHFFFAOYSA-N;135.17;0.44;;;;;DOPC;MDCG;27;1;"MARTINI bead: SN0_SP2";;;;;;;0.06;;-5.99;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM460508;MM460508;C#CC1CC1C(=N)N1CC1;UJMHMPYDIXQGSH-UHFFFAOYSA-N;134.18;0.55;;;;;DOPC;MDCG;27;1;"MARTINI bead: SC5_SP2";;;;;;;0.54;;-4.93;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM460509;MM460509;C#CC1CC1C(=O)N1CC1;ZGKNXYWKTRCKPJ-UHFFFAOYSA-N;135.17;0.1;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC5_SP2";;;;;;;0.54;;-1.09;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM460510;MM460510;C#CC1OC1C(=O)N1CC1;WWDGLFWFENDKHB-UHFFFAOYSA-N;137.14;-0.77;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNa_SP2";;;;;;;-0.24;;-3.24;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM460511;MM460511;C=C(C(=C)C1CC1)C1CC1;IIPBKXNAELECML-UHFFFAOYSA-N;134.22;2.92;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC4_SC4";;;;;;;3.53;;0.53;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM460512;MM460512;C=C(C(=C)C1CO1)C1CC1;HHWQMYQRVPHNDG-UHFFFAOYSA-N;136.19;1.91;;;;;DOPC;MDCG;27;0;"MARTINI bead: SC4_SNa";;;;;;;2.2;;0.34;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
MM460513;MM460513;O=c1occcc1C1CC1;QSRWDKATAGWZNL-UHFFFAOYSA-N;136.15;1.52;;;;;DOPC;MDCG;27;0;"MARTINI bead: SNa_SC5";;;;;;;1.64;;-0.06;;;;;;;;;;;;;"Menichetti R., Kanekal K.H., Bereau T.: Drug-membrane permeability across chemical space. CS Cent. Sci. 2019, 5, 2, 290-298"
11-Dehydrocorticosterone;MM00315;C[C@]12CC(=O)[C@H]3[C@@H](CCC4=CC(=O)CC[C@@]43C)[C@@H]1CC[C@@H]2C(=O)CO;FUFLCEKSBBHCMO-KJQYFISQSA-N;344.45;2.87;5311364;;;;DOPC;CCM18;25;0;;1.43;;4.24;;5.93;;1.33;;;;;;;;;;;;;;"in-house calculations";"in-house calculations"
11beta-Hydroxyprogesterone;MM00317;CC(=O)[C@H]1CC[C@H]2[C@@H]3CCC4=CC(=O)CC[C@]4(C)[C@H]3[C@@H](O)C[C@]12C;BFZHCUBIASXHPK-ATWVFEABSA-N;330.47;3.69;101788;;;;DOPC;CCM18;25;0;;1.21;;3.38;;8.04;;3.15;;;;;;;;;;;;;;"in-house calculations";"in-house calculations"
"12-Hydroxydodecanoic Acid";MM00593;O=C(O)CCCCCCCCCCCO;ZDHCZVWCTKTBRY-UHFFFAOYSA-N;216.32;2.96;79034;DB03704;12H;CHEMBL55068;DOPC;CCM18;25;0;;1.21;;2.78;;6.99;;3.55;;;;;;;;;;;;;;"in-house calculations";"in-house calculations"
1,4-Butanediol;MM00314;OCCCCO;WERYXYBDKMZEQL-UHFFFAOYSA-N;90.12;-0.25;8064;DB01955;BU1;CHEMBL171623;DOPC;CCM18;25;0;;3.63;;6.35;;0.54;;-1.12;;;;;;;;;;;;;;"in-house calculations";"in-house calculations"
2-Deoxyadenosine;MM00320;Nc1ncnc2c1ncn2[C@H]1C[C@H](O)[C@@H](CO)O1;OLXZPDWKRNYJJZ-RRKCRQDMSA-N;251.25;-0.95;13730;;;;DOPC;CCM18;25;0;;3.63;;9.34;;0.94;;-2.77;;;;;;;;;;;;;;"in-house calculations";"in-house calculations"
"2-Hydroxynicotinic Acid";MM00599;O=C(O)c1ccc[nH]c1=O;UEYQJQVBUVAELZ-UHFFFAOYSA-N;139.11;0.07;69114;;;;DOPC;CCM18;25;0;;1.87;;12.2;;1.11;;-0.12;;;;;;;;;;;;;;"in-house calculations";"in-house calculations"
2,3-Dideoxyadenosine;MM00318;Nc1ncnc2c1ncn2[C@H]1CC[C@@H](CO)O1;WVXRAFOPTSTNLL-NKWVEPMBSA-N;235.25;0.08;20039;;;;DOPC;CCM18;25;0;;3.63;;7.91;;1.06;;-0.98;;;;;;;;;;;;;;"in-house calculations";"in-house calculations"
"2,4-Dihydroxybenzoic Acid";MM00595;O=C(O)c1ccc(O)cc1O;UIAFKZKHHVMJGS-UHFFFAOYSA-N;154.12;0.8;1491;DB02839;DOB;CHEMBL328910;DOPC;CCM18;25;0;;1.65;;6.59;;1.68;;0.82;;;;;;;;;;;;;;"in-house calculations";"in-house calculations"
2,4_Dibromoestradiol;MM470916;C[C@]12CC[C@@H]3c4cc(Br)c(O)c(Br)c4CC[C@@H]3[C@H]1CC[C@H]2O;UTXNYGUZJLLOSP-GQGMOPDYSA-N;430.18;5.13;;;;;DOPC;CCM18;25;0;;0.99;;1.65;;9.99;;5.56;;;;;;;;;;;;;;"in-house calculations";"in-house calculations"
"N-Octylmalonic Acid";MM00670;CCCCCCCCC(C(=O)O)C(=O)O;QJGNSTCICFBACB-UHFFFAOYSA-N;216.28;2.52;12972;;;;DOPC;CCM18;25;0;;1.21;;6.44;;7.02;;4.13;;;;;;;;;;;;;;"in-house calculations";"in-house calculations"
"3-Hydroxyphenylacetic Acid";MM00604;O=C(O)Cc1cccc(O)c1;FVMDYYGIDFPZAX-UHFFFAOYSA-N;152.15;1.02;12122;;;190035;DOPC;CCM18;25;0;;1.72;;8.27;;1.47;;0.5;;;;;;;;;;;;;;"in-house calculations";"in-house calculations"
"3-Phenylpropionic Acid";MM00605;O=C(O)CCc1ccccc1;XMIIGOLPHOKFCH-UHFFFAOYSA-N;150.18;1.7;107;DB02024;HCI;CHEMBL851;DOPC;CCM18;25;0;;1.21;;3.55;;3.72;;1.81;;;;;;;;;;;;;;"in-house calculations";"in-house calculations"
"3,4-Dihydroxyphenylacetic Acid";MM00602;O=C(O)Cc1ccc(O)c(O)c1;CFFZDZCDUFSOFZ-UHFFFAOYSA-N;168.15;0.72;547;DB01702;DHY;CHEMBL1284;DOPC;CCM18;25;0;;1.65;;7.94;;1.36;;0.54;;;;;;;;;;;;;;"in-house calculations";"in-house calculations"
"3,5-Dichlorobenzoic Acid";MM00603;O=C(O)c1cc(Cl)cc(Cl)c1;CXKCZFDUOYMOOP-UHFFFAOYSA-N;191.01;2.69;5811;;;;DOPC;CCM18;25;0;;1.14;;3.17;;5.15;;2.9;;;;;;;;;;;;;;"in-house calculations";"in-house calculations"
4-Phenylbutylamine;MM00096;NCCCCc1ccccc1;AGNFWIZBEATIAK-UHFFFAOYSA-N;149.24;1.97;83242;DB04311;PBN;CHEMBL79512;DOPC;CCM18;25;0;;1.06;;2.32;;5.41;;2.72;;;;;;;;;;;;;;"in-house calculations";"in-house calculations"
"9-Anthroic Acid";MM00612;O=C(O)c1c2ccccc2cc2ccccc12;XGWFJBFNAQHLEF-UHFFFAOYSA-N;222.24;3.69;2201;;;;DOPC;CCM18;25;0;;1.14;;3.58;;6.44;;3.74;;;;;;;;;;;;;;"in-house calculations";"in-house calculations"
Acetamide;MM00321;CC(N)=O;DLFVBJFMPXGRIB-UHFFFAOYSA-N;59.07;-0.51;178;DB02736;ACM;CHEMBL16081;DOPC;CCM18;25;0;;3.48;;7.28;;0.3;;-0.84;;;;;;;;;;;;;;"in-house calculations";"in-house calculations"
Acetaminophen;MM00322;CC(=O)Nc1ccc(O)cc1;RZVAJINKPMORJF-UHFFFAOYSA-N;151.17;1.35;1983;DB00316;TYL;CHEMBL112;DOPC;CCM18;25;0;;1.5;;7.4;;1.62;;0.41;;;;;;;;;;;;;;"in-house calculations";"in-house calculations"
"Acetic Acid";MM00613;CC(=O)O;QTBSBXVTEAMEQO-UHFFFAOYSA-N;60.05;0.09;176;DB03166;ACY;CHEMBL539;DOPC;CCM18;25;0;;1.65;;4.74;;0.48;;-0.17;;;;;;;;;;;;;;"in-house calculations";"in-house calculations"
"Acetylsalicylic Acid";MM00080;CC(=O)Oc1ccccc1C(=O)O;BSYNRYMUTXBXSQ-UHFFFAOYSA-N;180.16;1.31;2244;DB00945;AIN;CHEMBL25;DOPC;CCM18;25;0;;1.28;;4.43;;2.69;;1.09;;;;;;;;;;;;;;"in-house calculations";"in-house calculations"
Acrivastine;MM00715;Cc1ccc(C(=CCN2CCCC2)c2cccc(C=CC(=O)O)n2)cc1;PWACSDKDOHSSQD-IUTFFREVSA-N;348.45;4.02;5284514;DB09488;;CHEMBL1224;DOPC;CCM18;25;0;;0.99;;3.83;;12.39;;6.82;;;;;;;;;;;;;;"in-house calculations";"in-house calculations"
Adenine;MM00324;Nc1ncnc2nc[nH]c12;GFFGJBXGBJISGV-UHFFFAOYSA-N;135.13;-0.06;190;DB00173;ADE;CHEMBL226345;DOPC;CCM18;25;0;;2.02;;9.63;;0.3;;-0.53;;;;;;;;;;;;;;"in-house calculations";"in-house calculations"
L-Alanine;MM00743;C[C@H](N)C(=O)O;QNAYBMKLOCPYGJ-REOHCLBHSA-N;89.09;-0.58;5950;DB00160;ALA;CHEMBL279597;DOPC;CCM18;25;0;;1.8;;5.11;;0.69;;-0.29;;;;;;;;;;;;;;"in-house calculations";"in-house calculations"
"Methyl 5-(propylsulfinyl)-1h-benzimidazol-2-ylcarbamate";MM00326;CCCSc1ccc2nc(NC(=O)OC)[nH]c2c1;HXHWSAZORRCQMX-UHFFFAOYSA-N;265.34;3.24;2082;DB00518;ALW;CHEMBL1483;DOPC;CCM18;25;0;;1.21;;3.89;;5.05;;2.51;;;;;;;;;;;;;;"in-house calculations";"in-house calculations"
Alfentanil;MM00439;CCC(=O)N(c1ccccc1)C1(COC)CCN(CCn2nnn(CC)c2=O)CC1;IDBPHNDTYPBSNI-UHFFFAOYSA-N;416.53;1.38;51263;DB00802;;CHEMBL634;DOPC;CCM18;25;0;;1.06;;2.52;;9.31;;3.86;;;;;;;;;;;;;;"in-house calculations";"in-house calculations"
"5-Aminolevulinic Acid";MM00714;NCC(=O)CCC(=O)O;ZGXJTSGNIOSYLO-UHFFFAOYSA-N;131.13;-0.62;137;DB00855;;CHEMBL601;DOPC;CCM18;25;0;;3.56;;7.91;;0.59;;-0.98;;;;;;;;;;;;;;"in-house calculations";"in-house calculations"
4-(dimethylamino)-1,5-dimethyl-2-phenylpyrazol-3-one;MM00331;Cc1c(N(C)C)c(=O)n(-c2ccccc2)n1C;RMMXTBMQSGEXHJ-UHFFFAOYSA-N;231.3;1.55;6009;DB01424;;CHEMBL288470;DOPC;CCM18;25;0;;1.06;;3.61;;5.82;;2.67;;;;;;;;;;;;;;"in-house calculations";"in-house calculations"
Amitriptyline;MM00444;CN(C)CCC=C1c2ccccc2CCc2ccccc21;KRMDCWKBEZIMAB-UHFFFAOYSA-N;277.41;4.17;2160;DB00321;TP0;CHEMBL629;DOPC;CCM18;25;0;;0.84;;0.93;;10.81;;6.19;;;;;;;;;;;;;;"in-house calculations";"in-house calculations"
Ammonia;MM00445;N;QGZKDVFQNNGYKY-UHFFFAOYSA-N;17.03;0.16;222;DB11118;;;DOPC;CCM18;25;0;;3.41;;4.81;;0.23;;-2.09;;;;;;;;;;;;;;"in-house calculations";"in-house calculations"
4-[(7-chloroquinolin-4-yl)amino]-2-(diethylaminomethyl)phenol;MM00446;CCN(CC)Cc1cc(Nc2ccnc3cc(Cl)ccc23)ccc1O;OVCDSSHSILBFBN-UHFFFAOYSA-N;355.87;5.18;2165;DB00613;CQA;CHEMBL682;DOPC;CCM18;25;0;;1.06;;2.31;;11.02;;6.22;;;;;;;;;;;;;;"in-house calculations";"in-house calculations"
8-chloro-6-piperazin-1-ylbenzo[b][1,4]benzoxazepine;MM00447;Clc1ccc2c(c1)C(N1CCNCC1)=Nc1ccccc1O2;QWGDMFLQWFTERH-UHFFFAOYSA-N;313.79;3.43;2170;DB00543;;CHEMBL1113;DOPC;CCM18;25;0;;0.99;;2.36;;8.3;;4.24;;;;;;;;;;;;;;"in-house calculations";"in-house calculations"
Aniline;MM00039;Nc1ccccc1;PAYRUJLWNCNPSJ-UHFFFAOYSA-N;93.13;1.27;6115;DB06728;ANL;CHEMBL538;DOPC;CCM18;25;0;;1.28;;1.6;;1.81;;0.87;;;;;;;;;;;;;;"in-house calculations";"in-house calculations"
"2-Aminobenzoic Acid";MM00596;Nc1ccccc1C(=O)O;RWZYAGGXGHYGMB-UHFFFAOYSA-N;137.14;0.97;227;DB04166;BE2;CHEMBL14173;DOPC;CCM18;25;0;;1.43;;4.35;;1.91;;0.88;;;;;;;;;;;;;;"in-house calculations";"in-house calculations"
Antipyrine;MM00333;Cc1cc(=O)n(-c2ccccc2)n1C;VEQOALNAAJBPNY-UHFFFAOYSA-N;188.23;1.48;2206;DB01435;;CHEMBL277474;DOPC;CCM18;25;0;;1.28;;4.5;;3.75;;1.35;;;;;;;;;;;;;;"in-house calculations";"in-house calculations"
L-Arginine;MM00744;NC(N)=NCCC[C@H](N)C(=O)O;ODKSFYDXXFIFQN-BYPYZUCNSA-N;174.2;-1.55;6322;DB00125;ARG;CHEMBL1485;DOPC;CCM18;25;0;;1.87;;11.79;;0.76;;-0.39;;;;;;;;;;;;;;"in-house calculations";"in-house calculations"
"Ascorbic Acid";MM00628;O=C1O[C@H]([C@@H](O)CO)C(O)=C1O;CIWBSHSKHKDKBQ-JLAZNSOCSA-N;176.12;-1.41;54670067;DB00126;ASC;CHEMBL196;DOPC;CCM18;25;0;;1.87;;11.83;;0.4;;-0.66;;;;;;;;;;;;;;"in-house calculations";"in-house calculations"
"L-Aspartic Acid";MM00745;N[C@@H](CC(=O)O)C(=O)O;CKLJMWTZIZZHCS-REOHCLBHSA-N;133.1;-1.13;5960;DB00128;IAS;CHEMBL274323;DOPC;CCM18;25;0;;1.87;;9.94;;0.97;;-0.03;;;;;;;;;;;;;;"in-house calculations";"in-house calculations"
Astemizole;MM00448;COc1ccc(CCN2CCC(Nc3nc4ccccc4n3Cc3ccc(F)cc3)CC2)cc1;GXDALQBWZGODGZ-UHFFFAOYSA-N;458.58;5.35;2247;DB00637;;CHEMBL296419;DOPC;CCM18;25;0;;0.99;;2.46;;12.43;;6.87;;;;;;;;;;;;;;"in-house calculations";"in-house calculations"
Benazepril;MM00629;CCOC(=O)[C@H](CCc1ccccc1)N[C@H]1CCc2ccccc2N(CC(=O)O)C1=O;XPCFTKFZXHTYIP-PMACEKPBSA-N;424.5;2.57;5362124;DB00542;;CHEMBL838;DOPC;CCM18;25;0;;1.21;;5.59;;7.62;;3.34;;;;;;;;;;;;;;"in-house calculations";"in-house calculations"
"Benzoic Acid";MM00630;O=C(O)c1ccccc1;WPYMKLBDIGXBTP-UHFFFAOYSA-N;122.12;1.38;243;DB03793;BEZ;CHEMBL541;DOPC;CCM18;25;0;;1.28;;3.82;;2.67;;1.33;;;;;;;;;;;;;;"in-house calculations";"in-house calculations"
"Biochanin A";MM00632;COc1ccc(-c2coc3cc(O)cc(O)c3c2=O)cc1;WUADCCWRTIWANL-UHFFFAOYSA-N;284.27;2.88;5280373;;;;DOPC;CCM18;25;0;;1.14;;3.33;;5.2;;2.78;;;;;;;;;;;;;;"in-house calculations";"in-house calculations"
Bremazocine;MM00452;CC[C@]12CCN(CC3(O)CC3)[C@H](Cc3ccc(O)cc31)C2(C)C;ZDXGFIXMPOUDFF-XLIONFOSSA-N;315.46;3.22;443406;;;;DOPC;CCM18;25;0;;1.06;;2.45;;8.51;;4.3;;;;;;;;;;;;;;"in-house calculations";"in-house calculations"
"Bromoacetic Acid";MM00633;O=C(O)CBr;KDPAWGWELVVRCH-UHFFFAOYSA-N;138.95;0.47;6227;DB02198;BXA;CHEMBL60851;DOPC;CCM18;25;0;;1.8;;5.42;;0.89;;0.28;;;;;;;;;;;;;;"in-house calculations";"in-house calculations"
8-[4-(4-pyrimidin-2-ylpiperazin-1-yl)butyl]-8-azaspiro[4.5]decane-7,9-dione;MM00456;O=C1CC2(CCCC2)CC(=O)N1CCCCN1CCN(c2ncccn2)CC1;QWCRAEMEVRGPNT-UHFFFAOYSA-N;385.51;2.09;2477;DB00490;;CHEMBL49;DOPC;CCM18;25;0;;1.06;;2.29;;8.77;;4.26;;;;;;;;;;;;;;"in-house calculations";"in-house calculations"
"3-(dibutylamino)propyl 4-aminobenzoate";MM00457;CCCCN(CCCC)CCCOC(=O)c1ccc(N)cc1;HQFWVSGBVLEQGA-UHFFFAOYSA-N;306.45;3.72;2480;;;;DOPC;CCM18;25;0;;1.06;;4.41;;10.77;;6.31;;;;;;;;;;;;;;"in-house calculations";"in-house calculations"
1-butanol;MM00340;CCCCO;LRHPLDYGYMQRHN-UHFFFAOYSA-N;74.12;0.78;263;DB02145;1BO;CHEMBL14245;DOPC;CCM18;25;0;;1.28;;2.91;;2.2;;0.83;;;;;;;;;;;;;;"in-house calculations";"in-house calculations"
1-Butylamine;MM00435;CCCCN;HQABUPZFAYXKJW-UHFFFAOYSA-N;73.14;0.75;8007;DB03659;LYT;CHEMBL13968;DOPC;CCM18;25;0;;1.21;;2.8;;2.69;;1.07;;;;;;;;;;;;;;"in-house calculations";"in-house calculations"
"Butyric Acid";MM00634;CCCC(=O)O;FERIUCNNQQJTOY-UHFFFAOYSA-N;88.11;0.87;264;DB03568;BUA;CHEMBL14227;DOPC;CCM18;25;0;;1.36;;3.95;;1.75;;0.61;;;;;;;;;;;;;;"in-house calculations";"in-house calculations"
1,4-Butanediol;MM00314;OCCCCO;WERYXYBDKMZEQL-UHFFFAOYSA-N;90.12;-0.25;8064;DB01955;BU1;CHEMBL171623;n-HEX;CCM18;25;0;;2.67;;6.66;;0.35;;-1.01;;;;;;;;;;;;;;"in-house calculations";"in-house calculations"
11-Dehydrocorticosterone;MM00315;C[C@]12CC(=O)[C@H]3[C@@H](CCC4=CC(=O)CC[C@@]43C)[C@@H]1CC[C@@H]2C(=O)CO;FUFLCEKSBBHCMO-KJQYFISQSA-N;344.45;2.87;5311364;;;;n-HEX;CCM18;25;0;;2.54;;5.28;;2.73;;0.93;;;;;;;;;;;;;;"in-house calculations";"in-house calculations"
11beta-Hydroxyprogesterone;MM00317;CC(=O)[C@H]1CC[C@H]2[C@@H]3CCC4=CC(=O)CC[C@]4(C)[C@H]3[C@@H](O)C[C@]12C;BFZHCUBIASXHPK-ATWVFEABSA-N;330.47;3.69;101788;;;;n-HEX;CCM18;25;0;;2.28;;4.05;;4.66;;2.32;;;;;;;;;;;;;;"in-house calculations";"in-house calculations"
"12-Hydroxydodecanoic Acid";MM00593;O=C(O)CCCCCCCCCCCO;ZDHCZVWCTKTBRY-UHFFFAOYSA-N;216.32;2.96;79034;DB03704;12H;CHEMBL55068;n-HEX;CCM18;25;0;;2.28;;4.78;;5.37;;2.74;;;;;;;;;;;;;;"in-house calculations";"in-house calculations"
2,3-Dideoxyadenosine;MM00318;Nc1ncnc2c1ncn2[C@H]1CC[C@@H](CO)O1;WVXRAFOPTSTNLL-NKWVEPMBSA-N;235.25;0.08;20039;;;;n-HEX;CCM18;25;0;;2.67;;8.72;;0.46;;-0.84;;;;;;;;;;;;;;"in-house calculations";"in-house calculations"
"2,4-Dihydroxybenzoic Acid";MM00595;O=C(O)c1ccc(O)cc1O;UIAFKZKHHVMJGS-UHFFFAOYSA-N;154.12;0.8;1491;DB02839;DOB;CHEMBL328910;n-HEX;CCM18;25;0;;2.67;;6.43;;0.38;;-0.87;;;;;;;;;;;;;;"in-house calculations";"in-house calculations"
2,4_Dibromoestradiol;MM470916;C[C@]12CC[C@@H]3c4cc(Br)c(O)c(Br)c4CC[C@@H]3[C@H]1CC[C@H]2O;UTXNYGUZJLLOSP-GQGMOPDYSA-N;430.18;5.13;;;;;n-HEX;CCM18;25;0;;2.02;;2.14;;8.98;;5.38;;;;;;;;;;;;;;"in-house calculations";"in-house calculations"
2-Deoxyadenosine;MM00320;Nc1ncnc2c1ncn2[C@H]1C[C@H](O)[C@@H](CO)O1;OLXZPDWKRNYJJZ-RRKCRQDMSA-N;251.25;-0.95;13730;;;;n-HEX;CCM18;25;0;;2.8;;10.29;;0.87;;-1.12;;;;;;;;;;;;;;"in-house calculations";"in-house calculations"
"2-Hydroxynicotinic Acid";MM00599;O=C(O)c1ccc[nH]c1=O;UEYQJQVBUVAELZ-UHFFFAOYSA-N;139.11;0.07;69114;;;;n-HEX;CCM18;25;0;;2.67;;12.09;;0.26;;-0.95;;;;;;;;;;;;;;"in-house calculations";"in-house calculations"
"N-Octylmalonic Acid";MM00670;CCCCCCCCC(C(=O)O)C(=O)O;QJGNSTCICFBACB-UHFFFAOYSA-N;216.28;2.52;12972;;;;n-HEX;CCM18;25;0;;2.28;;8.27;;6.68;;3.63;;;;;;;;;;;;;;"in-house calculations";"in-house calculations"
"3,4-Dihydroxyphenylacetic Acid";MM00602;O=C(O)Cc1ccc(O)c(O)c1;CFFZDZCDUFSOFZ-UHFFFAOYSA-N;168.15;0.72;547;DB01702;DHY;CHEMBL1284;n-HEX;CCM18;25;0;;2.67;;8.16;;0.44;;-0.77;;;;;;;;;;;;;;"in-house calculations";"in-house calculations"
"3,5-Dichlorobenzoic Acid";MM00603;O=C(O)c1cc(Cl)cc(Cl)c1;CXKCZFDUOYMOOP-UHFFFAOYSA-N;191.01;2.69;5811;;;;n-HEX;CCM18;25;0;;2.28;;3.58;;4.66;;2.28;;;;;;;;;;;;;;"in-house calculations";"in-house calculations"
"3-Hydroxyphenylacetic Acid";MM00604;O=C(O)Cc1cccc(O)c1;FVMDYYGIDFPZAX-UHFFFAOYSA-N;152.15;1.02;12122;;;190035;n-HEX;CCM18;25;0;;2.67;;8.21;;0.55;;-0.71;;;;;;;;;;;;;;"in-house calculations";"in-house calculations"
"3-Phenylpropionic Acid";MM00605;O=C(O)CCc1ccccc1;XMIIGOLPHOKFCH-UHFFFAOYSA-N;150.18;1.7;107;DB02024;HCI;CHEMBL851;n-HEX;CCM18;25;0;;2.28;;3.89;;3.21;;1.3;;;;;;;;;;;;;;"in-house calculations";"in-house calculations"
4-Phenylbutylamine;MM00096;NCCCCc1ccccc1;AGNFWIZBEATIAK-UHFFFAOYSA-N;149.24;1.97;83242;DB04311;PBN;CHEMBL79512;n-HEX;CCM18;25;0;;2.15;;2.88;;4.91;;2.52;;;;;;;;;;;;;;"in-house calculations";"in-house calculations"
"9-Anthroic Acid";MM00612;O=C(O)c1c2ccccc2cc2ccccc12;XGWFJBFNAQHLEF-UHFFFAOYSA-N;222.24;3.69;2201;;;;n-HEX;CCM18;25;0;;2.28;;3.35;;5.26;;2.71;;;;;;;;;;;;;;"in-house calculations";"in-house calculations"
Acetamide;MM00321;CC(N)=O;DLFVBJFMPXGRIB-UHFFFAOYSA-N;59.07;-0.51;178;DB02736;ACM;CHEMBL16081;n-HEX;CCM18;25;0;;2.67;;7.5;;0.23;;-1.01;;;;;;;;;;;;;;"in-house calculations";"in-house calculations"
Acetaminophen;MM00322;CC(=O)Nc1ccc(O)cc1;RZVAJINKPMORJF-UHFFFAOYSA-N;151.17;1.35;1983;DB00316;TYL;CHEMBL112;n-HEX;CCM18;25;0;;2.67;;7.56;;0.69;;-0.52;;;;;;;;;;;;;;"in-house calculations";"in-house calculations"
"Acetic Acid";MM00613;CC(=O)O;QTBSBXVTEAMEQO-UHFFFAOYSA-N;60.05;0.09;176;DB03166;ACY;CHEMBL539;n-HEX;CCM18;25;0;;2.54;;4.85;;0.38;;-0.73;;;;;;;;;;;;;;"in-house calculations";"in-house calculations"
"Acetylsalicylic Acid";MM00080;CC(=O)Oc1ccccc1C(=O)O;BSYNRYMUTXBXSQ-UHFFFAOYSA-N;180.16;1.31;2244;DB00945;AIN;CHEMBL25;n-HEX;CCM18;25;0;;2.41;;4.68;;1.94;;0.41;;;;;;;;;;;;;;"in-house calculations";"in-house calculations"
Acrivastine;MM00715;Cc1ccc(C(=CCN2CCCC2)c2cccc(C=CC(=O)O)n2)cc1;PWACSDKDOHSSQD-IUTFFREVSA-N;348.45;4.02;5284514;DB09488;;CHEMBL1224;n-HEX;CCM18;25;0;;2.15;;4.98;;10.53;;6.37;;;;;;;;;;;;;;"in-house calculations";"in-house calculations"
Adenine;MM00324;Nc1ncnc2nc[nH]c12;GFFGJBXGBJISGV-UHFFFAOYSA-N;135.13;-0.06;190;DB00173;ADE;CHEMBL226345;n-HEX;CCM18;25;0;;2.8;;9.93;;0.83;;-1.21;;;;;;;;;;;;;;"in-house calculations";"in-house calculations"
L-Alanine;MM00743;C[C@H](N)C(=O)O;QNAYBMKLOCPYGJ-REOHCLBHSA-N;89.09;-0.58;5950;DB00160;ALA;CHEMBL279597;n-HEX;CCM18;25;0;;2.67;;5.07;;0.3;;-0.89;;;;;;;;;;;;;;"in-house calculations";"in-house calculations"
"Methyl 5-(propylsulfinyl)-1h-benzimidazol-2-ylcarbamate";MM00326;CCCSc1ccc2nc(NC(=O)OC)[nH]c2c1;HXHWSAZORRCQMX-UHFFFAOYSA-N;265.34;3.24;2082;DB00518;ALW;CHEMBL1483;n-HEX;CCM18;25;0;;2.41;;3.27;;3.7;;1.72;;;;;;;;;;;;;;"in-house calculations";"in-house calculations"
Alfentanil;MM00439;CCC(=O)N(c1ccccc1)C1(COC)CCN(CCn2nnn(CC)c2=O)CC1;IDBPHNDTYPBSNI-UHFFFAOYSA-N;416.53;1.38;51263;DB00802;;CHEMBL634;n-HEX;CCM18;25;0;;2.15;;2.75;;6.19;;3.42;;;;;;;;;;;;;;"in-house calculations";"in-house calculations"
"5-Aminolevulinic Acid";MM00714;NCC(=O)CCC(=O)O;ZGXJTSGNIOSYLO-UHFFFAOYSA-N;131.13;-0.62;137;DB00855;;CHEMBL601;n-HEX;CCM18;25;0;;2.8;;8.64;;0.43;;-1.12;;;;;;;;;;;;;;"in-house calculations";"in-house calculations"
4-(dimethylamino)-1,5-dimethyl-2-phenylpyrazol-3-one;MM00331;Cc1c(N(C)C)c(=O)n(-c2ccccc2)n1C;RMMXTBMQSGEXHJ-UHFFFAOYSA-N;231.3;1.55;6009;DB01424;;CHEMBL288470;n-HEX;CCM18;25;0;;2.15;;4.04;;5.1;;2.57;;;;;;;;;;;;;;"in-house calculations";"in-house calculations"
Amitriptyline;MM00444;CN(C)CCC=C1c2ccccc2CCc2ccccc21;KRMDCWKBEZIMAB-UHFFFAOYSA-N;277.41;4.17;2160;DB00321;TP0;CHEMBL629;n-HEX;CCM18;25;0;;2.02;;0.92;;9.55;;6.08;;;;;;;;;;;;;;"in-house calculations";"in-house calculations"
Ammonia;MM00445;N;QGZKDVFQNNGYKY-UHFFFAOYSA-N;17.03;0.16;222;DB11118;;;n-HEX;CCM18;25;0;;2.67;;4.61;;0.25;;-1.13;;;;;;;;;;;;;;"in-house calculations";"in-house calculations"
4-[(7-chloroquinolin-4-yl)amino]-2-(diethylaminomethyl)phenol;MM00446;CCN(CC)Cc1cc(Nc2ccnc3cc(Cl)ccc23)ccc1O;OVCDSSHSILBFBN-UHFFFAOYSA-N;355.87;5.18;2165;DB00613;CQA;CHEMBL682;n-HEX;CCM18;25;0;;2.15;;1.75;;8.43;;5.14;;;;;;;;;;;;;;"in-house calculations";"in-house calculations"
8-chloro-6-piperazin-1-ylbenzo[b][1,4]benzoxazepine;MM00447;Clc1ccc2c(c1)C(N1CCNCC1)=Nc1ccccc1O2;QWGDMFLQWFTERH-UHFFFAOYSA-N;313.79;3.43;2170;DB00543;;CHEMBL1113;n-HEX;CCM18;25;0;;2.15;;2.44;;6.86;;3.89;;;;;;;;;;;;;;"in-house calculations";"in-house calculations"
Aniline;MM00039;Nc1ccccc1;PAYRUJLWNCNPSJ-UHFFFAOYSA-N;93.13;1.27;6115;DB06728;ANL;CHEMBL538;n-HEX;CCM18;25;0;;2.41;;0.98;;1.26;;0.32;;;;;;;;;;;;;;"in-house calculations";"in-house calculations"
"2-Aminobenzoic Acid";MM00596;Nc1ccccc1C(=O)O;RWZYAGGXGHYGMB-UHFFFAOYSA-N;137.14;0.97;227;DB04166;BE2;CHEMBL14173;n-HEX;CCM18;25;0;;2.54;;4.2;;1.36;;0.04;;;;;;;;;;;;;;"in-house calculations";"in-house calculations"
Antipyrine;MM00333;Cc1cc(=O)n(-c2ccccc2)n1C;VEQOALNAAJBPNY-UHFFFAOYSA-N;188.23;1.48;2206;DB01435;;CHEMBL277474;n-HEX;CCM18;25;0;;2.28;;5.43;;3.26;;1.32;;;;;;;;;;;;;;"in-house calculations";"in-house calculations"
L-Arginine;MM00744;NC(N)=NCCC[C@H](N)C(=O)O;ODKSFYDXXFIFQN-BYPYZUCNSA-N;174.2;-1.55;6322;DB00125;ARG;CHEMBL1485;n-HEX;CCM18;25;0;;3.06;;12.14;;0.63;;-1.25;;;;;;;;;;;;;;"in-house calculations";"in-house calculations"
"Ascorbic Acid";MM00628;O=C1O[C@H]([C@@H](O)CO)C(O)=C1O;CIWBSHSKHKDKBQ-JLAZNSOCSA-N;176.12;-1.41;54670067;DB00126;ASC;CHEMBL196;n-HEX;CCM18;25;0;;3.19;;12;;0.9;;-1.27;;;;;;;;;;;;;;"in-house calculations";"in-house calculations"
"L-Aspartic Acid";MM00745;N[C@@H](CC(=O)O)C(=O)O;CKLJMWTZIZZHCS-REOHCLBHSA-N;133.1;-1.13;5960;DB00128;IAS;CHEMBL274323;n-HEX;CCM18;25;0;;2.8;;9.86;;1;;-1.25;;;;;;;;;;;;;;"in-house calculations";"in-house calculations"
Astemizole;MM00448;COc1ccc(CCN2CCC(Nc3nc4ccccc4n3Cc3ccc(F)cc3)CC2)cc1;GXDALQBWZGODGZ-UHFFFAOYSA-N;458.58;5.35;2247;DB00637;;CHEMBL296419;n-HEX;CCM18;25;0;;2.15;;1.08;;8.9;;5.59;;;;;;;;;;;;;;"in-house calculations";"in-house calculations"
Benazepril;MM00629;CCOC(=O)[C@H](CCc1ccccc1)N[C@H]1CCc2ccccc2N(CC(=O)O)C1=O;XPCFTKFZXHTYIP-PMACEKPBSA-N;424.5;2.57;5362124;DB00542;;CHEMBL838;n-HEX;CCM18;25;0;;2.28;;7.79;;6;;3.2;;;;;;;;;;;;;;"in-house calculations";"in-house calculations"
"Benzoic Acid";MM00630;O=C(O)c1ccccc1;WPYMKLBDIGXBTP-UHFFFAOYSA-N;122.12;1.38;243;DB03793;BEZ;CHEMBL541;n-HEX;CCM18;25;0;;2.28;;3.96;;2.39;;0.72;;;;;;;;;;;;;;"in-house calculations";"in-house calculations"
"Biochanin A";MM00632;COc1ccc(-c2coc3cc(O)cc(O)c3c2=O)cc1;WUADCCWRTIWANL-UHFFFAOYSA-N;284.27;2.88;5280373;;;;n-HEX;CCM18;25;0;;2.28;;4.2;;4.02;;1.86;;;;;;;;;;;;;;"in-house calculations";"in-house calculations"
Bremazocine;MM00452;CC[C@]12CCN(CC3(O)CC3)[C@H](Cc3ccc(O)cc31)C2(C)C;ZDXGFIXMPOUDFF-XLIONFOSSA-N;315.46;3.22;443406;;;;n-HEX;CCM18;25;0;;2.02;;2.53;;6.17;;3.4;;;;;;;;;;;;;;"in-house calculations";"in-house calculations"
"Bromoacetic Acid";MM00633;O=C(O)CBr;KDPAWGWELVVRCH-UHFFFAOYSA-N;138.95;0.47;6227;DB02198;BXA;CHEMBL60851;n-HEX;CCM18;25;0;;2.67;;5.46;;0.39;;-0.7;;;;;;;;;;;;;;"in-house calculations";"in-house calculations"
8-[4-(4-pyrimidin-2-ylpiperazin-1-yl)butyl]-8-azaspiro[4.5]decane-7,9-dione;MM00456;O=C1CC2(CCCC2)CC(=O)N1CCCCN1CCN(c2ncccn2)CC1;QWCRAEMEVRGPNT-UHFFFAOYSA-N;385.51;2.09;2477;DB00490;;CHEMBL49;n-HEX;CCM18;25;0;;2.28;;1.98;;6.48;;3.69;;;;;;;;;;;;;;"in-house calculations";"in-house calculations"
"3-(dibutylamino)propyl 4-aminobenzoate";MM00457;CCCCN(CCCC)CCCOC(=O)c1ccc(N)cc1;HQFWVSGBVLEQGA-UHFFFAOYSA-N;306.45;3.72;2480;;;;n-HEX;CCM18;25;0;;2.28;;3.91;;8.7;;5.13;;;;;;;;;;;;;;"in-house calculations";"in-house calculations"
1-butanol;MM00340;CCCCO;LRHPLDYGYMQRHN-UHFFFAOYSA-N;74.12;0.78;263;DB02145;1BO;CHEMBL14245;n-HEX;CCM18;25;0;;2.41;;3.45;;2.48;;0.75;;;;;;;;;;;;;;"in-house calculations";"in-house calculations"
1-Butylamine;MM00435;CCCCN;HQABUPZFAYXKJW-UHFFFAOYSA-N;73.14;0.75;8007;DB03659;LYT;CHEMBL13968;n-HEX;CCM18;25;0;;2.28;;3.13;;2.72;;0.95;;;;;;;;;;;;;;"in-house calculations";"in-house calculations"
"Butyric Acid";MM00634;CCCC(=O)O;FERIUCNNQQJTOY-UHFFFAOYSA-N;88.11;0.87;264;DB03568;BUA;CHEMBL14227;n-HEX;CCM18;25;0;;2.41;;4.37;;1.76;;0.25;;;;;;;;;;;;;;"in-house calculations";"in-house calculations"
1,4-Butanediol;MM00314;OCCCCO;WERYXYBDKMZEQL-UHFFFAOYSA-N;90.12;-0.25;8064;DB01955;BU1;CHEMBL171623;DMPC;CCM18;25;0;;3.15;;6.24;;0.53;;-0.88;;;;;;;;;;;;;;"in-house calculations";"in-house calculations"
11-Dehydrocorticosterone;MM00315;C[C@]12CC(=O)[C@H]3[C@@H](CCC4=CC(=O)CC[C@@]43C)[C@@H]1CC[C@@H]2C(=O)CO;FUFLCEKSBBHCMO-KJQYFISQSA-N;344.45;2.87;5311364;;;;DMPC;CCM18;25;0;;1.43;;4.45;;5.88;;1.37;;;;;;;;;;;;;;"in-house calculations";"in-house calculations"
11beta-Hydroxyprogesterone;MM00317;CC(=O)[C@H]1CC[C@H]2[C@@H]3CCC4=CC(=O)CC[C@]4(C)[C@H]3[C@@H](O)C[C@]12C;BFZHCUBIASXHPK-ATWVFEABSA-N;330.47;3.69;101788;;;;DMPC;CCM18;25;0;;1.24;;3.4;;8.06;;3.13;;;;;;;;;;;;;;"in-house calculations";"in-house calculations"
"12-Hydroxydodecanoic Acid";MM00593;O=C(O)CCCCCCCCCCCO;ZDHCZVWCTKTBRY-UHFFFAOYSA-N;216.32;2.96;79034;DB03704;12H;CHEMBL55068;DMPC;CCM18;25;0;;1.18;;2.41;;7.11;;3.69;;;;;;;;;;;;;;"in-house calculations";"in-house calculations"
2,3-Dideoxyadenosine;MM00318;Nc1ncnc2c1ncn2[C@H]1CC[C@@H](CO)O1;WVXRAFOPTSTNLL-NKWVEPMBSA-N;235.25;0.08;20039;;;;DMPC;CCM18;25;0;;3.15;;7.99;;0.9;;-0.9;;;;;;;;;;;;;;"in-house calculations";"in-house calculations"
"2,4-Dihydroxybenzoic Acid";MM00595;O=C(O)c1ccc(O)cc1O;UIAFKZKHHVMJGS-UHFFFAOYSA-N;154.12;0.8;1491;DB02839;DOB;CHEMBL328910;DMPC;CCM18;25;0;;1.75;;5.76;;1.71;;0.98;;;;;;;;;;;;;;"in-house calculations";"in-house calculations"
2,4_Dibromoestradiol;MM470916;C[C@]12CC[C@@H]3c4cc(Br)c(O)c(Br)c4CC[C@@H]3[C@H]1CC[C@H]2O;UTXNYGUZJLLOSP-GQGMOPDYSA-N;430.18;5.13;;;;;DMPC;CCM18;25;0;;0.92;;1.59;;10.01;;5.6;;;;;;;;;;;;;;"in-house calculations";"in-house calculations"
2-Deoxyadenosine;MM00320;Nc1ncnc2c1ncn2[C@H]1C[C@H](O)[C@@H](CO)O1;OLXZPDWKRNYJJZ-RRKCRQDMSA-N;251.25;-0.95;13730;;;;DMPC;CCM18;25;0;;3.15;;9.23;;0.86;;-2.42;;;;;;;;;;;;;;"in-house calculations";"in-house calculations"
"2-Hydroxynicotinic Acid";MM00599;O=C(O)c1ccc[nH]c1=O;UEYQJQVBUVAELZ-UHFFFAOYSA-N;139.11;0.07;69114;;;;DMPC;CCM18;25;0;;1.88;;11.85;;1.19;;0.17;;;;;;;;;;;;;;"in-house calculations";"in-house calculations"
"N-Octylmalonic Acid";MM00670;CCCCCCCCC(C(=O)O)C(=O)O;QJGNSTCICFBACB-UHFFFAOYSA-N;216.28;2.52;12972;;;;DMPC;CCM18;25;0;;1.18;;5.43;;7.13;;4.32;;;;;;;;;;;;;;"in-house calculations";"in-house calculations"
"3,4-Dihydroxyphenylacetic Acid";MM00602;O=C(O)Cc1ccc(O)c(O)c1;CFFZDZCDUFSOFZ-UHFFFAOYSA-N;168.15;0.72;547;DB01702;DHY;CHEMBL1284;DMPC;CCM18;25;0;;1.69;;7.16;;1.49;;0.74;;;;;;;;;;;;;;"in-house calculations";"in-house calculations"
"3,5-Dichlorobenzoic Acid";MM00603;O=C(O)c1cc(Cl)cc(Cl)c1;CXKCZFDUOYMOOP-UHFFFAOYSA-N;191.01;2.69;5811;;;;DMPC;CCM18;25;0;;1.05;;2.51;;5.24;;3.02;;;;;;;;;;;;;;"in-house calculations";"in-house calculations"
"3-Hydroxyphenylacetic Acid";MM00604;O=C(O)Cc1cccc(O)c1;FVMDYYGIDFPZAX-UHFFFAOYSA-N;152.15;1.02;12122;;;190035;DMPC;CCM18;25;0;;1.82;;8.36;;1.59;;0.71;;;;;;;;;;;;;;"in-house calculations";"in-house calculations"
"3-Phenylpropionic Acid";MM00605;O=C(O)CCc1ccccc1;XMIIGOLPHOKFCH-UHFFFAOYSA-N;150.18;1.7;107;DB02024;HCI;CHEMBL851;DMPC;CCM18;25;0;;1.18;;3.06;;3.83;;1.94;;;;;;;;;;;;;;"in-house calculations";"in-house calculations"
4-Phenylbutylamine;MM00096;NCCCCc1ccccc1;AGNFWIZBEATIAK-UHFFFAOYSA-N;149.24;1.97;83242;DB04311;PBN;CHEMBL79512;DMPC;CCM18;25;0;;1.05;;2.47;;5.46;;2.78;;;;;;;;;;;;;;"in-house calculations";"in-house calculations"
"9-Anthroic Acid";MM00612;O=C(O)c1c2ccccc2cc2ccccc12;XGWFJBFNAQHLEF-UHFFFAOYSA-N;222.24;3.69;2201;;;;DMPC;CCM18;25;0;;1.05;;2.95;;6.5;;3.81;;;;;;;;;;;;;;"in-house calculations";"in-house calculations"
Acetamide;MM00321;CC(N)=O;DLFVBJFMPXGRIB-UHFFFAOYSA-N;59.07;-0.51;178;DB02736;ACM;CHEMBL16081;DMPC;CCM18;25;0;;1.94;;7.48;;0.3;;-0.6;;;;;;;;;;;;;;"in-house calculations";"in-house calculations"
Acetaminophen;MM00322;CC(=O)Nc1ccc(O)cc1;RZVAJINKPMORJF-UHFFFAOYSA-N;151.17;1.35;1983;DB00316;TYL;CHEMBL112;DMPC;CCM18;25;0;;1.5;;7.39;;1.61;;0.5;;;;;;;;;;;;;;"in-house calculations";"in-house calculations"
"Acetic Acid";MM00613;CC(=O)O;QTBSBXVTEAMEQO-UHFFFAOYSA-N;60.05;0.09;176;DB03166;ACY;CHEMBL539;DMPC;CCM18;25;0;;1.56;;4.36;;0.47;;0.01;;;;;;;;;;;;;;"in-house calculations";"in-house calculations"
"Acetylsalicylic Acid";MM00080;CC(=O)Oc1ccccc1C(=O)O;BSYNRYMUTXBXSQ-UHFFFAOYSA-N;180.16;1.31;2244;DB00945;AIN;CHEMBL25;DMPC;CCM18;25;0;;1.31;;3.89;;2.72;;1.17;;;;;;;;;;;;;;"in-house calculations";"in-house calculations"
Acrivastine;MM00715;Cc1ccc(C(=CCN2CCCC2)c2cccc(C=CC(=O)O)n2)cc1;PWACSDKDOHSSQD-IUTFFREVSA-N;348.45;4.02;5284514;DB09488;;CHEMBL1224;DMPC;CCM18;25;0;;0.92;;3.29;;12.4;;6.79;;;;;;;;;;;;;;"in-house calculations";"in-house calculations"
Adenine;MM00324;Nc1ncnc2nc[nH]c12;GFFGJBXGBJISGV-UHFFFAOYSA-N;135.13;-0.06;190;DB00173;ADE;CHEMBL226345;DMPC;CCM18;25;0;;1.94;;9.42;;0.43;;-0.29;;;;;;;;;;;;;;"in-house calculations";"in-house calculations"
L-Alanine;MM00743;C[C@H](N)C(=O)O;QNAYBMKLOCPYGJ-REOHCLBHSA-N;89.09;-0.58;5950;DB00160;ALA;CHEMBL279597;DMPC;CCM18;25;0;;1.88;;5.47;;0.62;;-0.08;;;;;;;;;;;;;;"in-house calculations";"in-house calculations"
"Methyl 5-(propylsulfinyl)-1h-benzimidazol-2-ylcarbamate";MM00326;CCCSc1ccc2nc(NC(=O)OC)[nH]c2c1;HXHWSAZORRCQMX-UHFFFAOYSA-N;265.34;3.24;2082;DB00518;ALW;CHEMBL1483;DMPC;CCM18;25;0;;1.12;;3.87;;5.13;;2.58;;;;;;;;;;;;;;"in-house calculations";"in-house calculations"
Alfentanil;MM00439;CCC(=O)N(c1ccccc1)C1(COC)CCN(CCn2nnn(CC)c2=O)CC1;IDBPHNDTYPBSNI-UHFFFAOYSA-N;416.53;1.38;51263;DB00802;;CHEMBL634;DMPC;CCM18;25;0;;1.12;;2.41;;8.96;;3.6;;;;;;;;;;;;;;"in-house calculations";"in-house calculations"
"5-Aminolevulinic Acid";MM00714;NCC(=O)CCC(=O)O;ZGXJTSGNIOSYLO-UHFFFAOYSA-N;131.13;-0.62;137;DB00855;;CHEMBL601;DMPC;CCM18;25;0;;3.15;;7.52;;0.45;;-0.82;;;;;;;;;;;;;;"in-house calculations";"in-house calculations"
4-(dimethylamino)-1,5-dimethyl-2-phenylpyrazol-3-one;MM00331;Cc1c(N(C)C)c(=O)n(-c2ccccc2)n1C;RMMXTBMQSGEXHJ-UHFFFAOYSA-N;231.3;1.55;6009;DB01424;;CHEMBL288470;DMPC;CCM18;25;0;;1.12;;3.43;;5.56;;2.62;;;;;;;;;;;;;;"in-house calculations";"in-house calculations"
Amitriptyline;MM00444;CN(C)CCC=C1c2ccccc2CCc2ccccc21;KRMDCWKBEZIMAB-UHFFFAOYSA-N;277.41;4.17;2160;DB00321;TP0;CHEMBL629;DMPC;CCM18;25;0;;0.86;;0.91;;10.93;;6.19;;;;;;;;;;;;;;"in-house calculations";"in-house calculations"
Ammonia;MM00445;N;QGZKDVFQNNGYKY-UHFFFAOYSA-N;17.03;0.16;222;DB11118;;;DMPC;CCM18;25;0;;3.15;;4.82;;0.16;;-1.74;;;;;;;;;;;;;;"in-house calculations";"in-house calculations"
4-[(7-chloroquinolin-4-yl)amino]-2-(diethylaminomethyl)phenol;MM00446;CCN(CC)Cc1cc(Nc2ccnc3cc(Cl)ccc23)ccc1O;OVCDSSHSILBFBN-UHFFFAOYSA-N;355.87;5.18;2165;DB00613;CQA;CHEMBL682;DMPC;CCM18;25;0;;1.05;;2.27;;10.88;;6.08;;;;;;;;;;;;;;"in-house calculations";"in-house calculations"
8-chloro-6-piperazin-1-ylbenzo[b][1,4]benzoxazepine;MM00447;Clc1ccc2c(c1)C(N1CCNCC1)=Nc1ccccc1O2;QWGDMFLQWFTERH-UHFFFAOYSA-N;313.79;3.43;2170;DB00543;;CHEMBL1113;DMPC;CCM18;25;0;;0.92;;2.57;;8.39;;4.27;;;;;;;;;;;;;;"in-house calculations";"in-house calculations"
Aniline;MM00039;Nc1ccccc1;PAYRUJLWNCNPSJ-UHFFFAOYSA-N;93.13;1.27;6115;DB06728;ANL;CHEMBL538;DMPC;CCM18;25;0;;1.18;;1.77;;1.95;;1;;;;;;;;;;;;;;"in-house calculations";"in-house calculations"
"2-Aminobenzoic Acid";MM00596;Nc1ccccc1C(=O)O;RWZYAGGXGHYGMB-UHFFFAOYSA-N;137.14;0.97;227;DB04166;BE2;CHEMBL14173;DMPC;CCM18;25;0;;1.37;;3.88;;2.02;;1.03;;;;;;;;;;;;;;"in-house calculations";"in-house calculations"
Antipyrine;MM00333;Cc1cc(=O)n(-c2ccccc2)n1C;VEQOALNAAJBPNY-UHFFFAOYSA-N;188.23;1.48;2206;DB01435;;CHEMBL277474;DMPC;CCM18;25;0;;1.24;;4.47;;3.54;;1.35;;;;;;;;;;;;;;"in-house calculations";"in-house calculations"
L-Arginine;MM00744;NC(N)=NCCC[C@H](N)C(=O)O;ODKSFYDXXFIFQN-BYPYZUCNSA-N;174.2;-1.55;6322;DB00125;ARG;CHEMBL1485;DMPC;CCM18;25;0;;1.88;;12.47;;0.81;;-0.12;;;;;;;;;;;;;;"in-house calculations";"in-house calculations"
"Ascorbic Acid";MM00628;O=C1O[C@H]([C@@H](O)CO)C(O)=C1O;CIWBSHSKHKDKBQ-JLAZNSOCSA-N;176.12;-1.41;54670067;DB00126;ASC;CHEMBL196;DMPC;CCM18;25;0;;1.82;;12.33;;0.56;;-0.33;;;;;;;;;;;;;;"in-house calculations";"in-house calculations"
"L-Aspartic Acid";MM00745;N[C@@H](CC(=O)O)C(=O)O;CKLJMWTZIZZHCS-REOHCLBHSA-N;133.1;-1.13;5960;DB00128;IAS;CHEMBL274323;DMPC;CCM18;25;0;;1.94;;10.06;;1.27;;0.33;;;;;;;;;;;;;;"in-house calculations";"in-house calculations"
Astemizole;MM00448;COc1ccc(CCN2CCC(Nc3nc4ccccc4n3Cc3ccc(F)cc3)CC2)cc1;GXDALQBWZGODGZ-UHFFFAOYSA-N;458.58;5.35;2247;DB00637;;CHEMBL296419;DMPC;CCM18;25;0;;1.05;;2.45;;12.26;;6.69;;;;;;;;;;;;;;"in-house calculations";"in-house calculations"
Benazepril;MM00629;CCOC(=O)[C@H](CCc1ccccc1)N[C@H]1CCc2ccccc2N(CC(=O)O)C1=O;XPCFTKFZXHTYIP-PMACEKPBSA-N;424.5;2.57;5362124;DB00542;;CHEMBL838;DMPC;CCM18;25;0;;1.18;;5.17;;7.4;;3.27;;;;;;;;;;;;;;"in-house calculations";"in-house calculations"
"Benzoic Acid";MM00630;O=C(O)c1ccccc1;WPYMKLBDIGXBTP-UHFFFAOYSA-N;122.12;1.38;243;DB03793;BEZ;CHEMBL541;DMPC;CCM18;25;0;;1.24;;3.19;;2.67;;1.43;;;;;;;;;;;;;;"in-house calculations";"in-house calculations"
"Biochanin A";MM00632;COc1ccc(-c2coc3cc(O)cc(O)c3c2=O)cc1;WUADCCWRTIWANL-UHFFFAOYSA-N;284.27;2.88;5280373;;;;DMPC;CCM18;25;0;;1.12;;3.23;;5.13;;2.83;;;;;;;;;;;;;;"in-house calculations";"in-house calculations"
Bremazocine;MM00452;CC[C@]12CCN(CC3(O)CC3)[C@H](Cc3ccc(O)cc31)C2(C)C;ZDXGFIXMPOUDFF-XLIONFOSSA-N;315.46;3.22;443406;;;;DMPC;CCM18;25;0;;1.05;;2.11;;8.54;;4.3;;;;;;;;;;;;;;"in-house calculations";"in-house calculations"
"Bromoacetic Acid";MM00633;O=C(O)CBr;KDPAWGWELVVRCH-UHFFFAOYSA-N;138.95;0.47;6227;DB02198;BXA;CHEMBL60851;DMPC;CCM18;25;0;;1.88;;5.05;;1.03;;0.49;;;;;;;;;;;;;;"in-house calculations";"in-house calculations"
8-[4-(4-pyrimidin-2-ylpiperazin-1-yl)butyl]-8-azaspiro[4.5]decane-7,9-dione;MM00456;O=C1CC2(CCCC2)CC(=O)N1CCCCN1CCN(c2ncccn2)CC1;QWCRAEMEVRGPNT-UHFFFAOYSA-N;385.51;2.09;2477;DB00490;;CHEMBL49;DMPC;CCM18;25;0;;1.12;;2.26;;8.43;;4.06;;;;;;;;;;;;;;"in-house calculations";"in-house calculations"
"3-(dibutylamino)propyl 4-aminobenzoate";MM00457;CCCCN(CCCC)CCCOC(=O)c1ccc(N)cc1;HQFWVSGBVLEQGA-UHFFFAOYSA-N;306.45;3.72;2480;;;;DMPC;CCM18;25;0;;1.05;;4.28;;10.52;;6.31;;;;;;;;;;;;;;"in-house calculations";"in-house calculations"
1-butanol;MM00340;CCCCO;LRHPLDYGYMQRHN-UHFFFAOYSA-N;74.12;0.78;263;DB02145;1BO;CHEMBL14245;DMPC;CCM18;25;0;;1.18;;2.94;;2.31;;0.99;;;;;;;;;;;;;;"in-house calculations";"in-house calculations"
1-Butylamine;MM00435;CCCCN;HQABUPZFAYXKJW-UHFFFAOYSA-N;73.14;0.75;8007;DB03659;LYT;CHEMBL13968;DMPC;CCM18;25;0;;1.12;;2.74;;2.75;;1.16;;;;;;;;;;;;;;"in-house calculations";"in-house calculations"
"Butyric Acid";MM00634;CCCC(=O)O;FERIUCNNQQJTOY-UHFFFAOYSA-N;88.11;0.87;264;DB03568;BUA;CHEMBL14227;DMPC;CCM18;25;0;;1.31;;3.48;;1.76;;0.75;;;;;;;;;;;;;;"in-house calculations";"in-house calculations"
1,6-Hexanediol;MM00009;C[C@@H](O)CC[C@@H](C)O;OHMBHFSEKCCCBW-PHDIDXHHSA-N;118.18;0.53;43078;DB02210;HEZ;CHEMBL458616;DMPC;CCM18;25;0;;1.24;;4.95;;2.36;;0.77;;;;;;;;;;;;;;;"Benmameri M, Chantemargue B, Humeau A, Trouillas P, Fabre G.: MemCross: Accelerated Weight Histogram method to assess membrane permeability. Biochim Biophys Acta Biomembr, Volume 1865 (3), 184120, 2023"
Cortexolone;MM00036;C[C@]12CC[C@H]3[C@@H](CCC4=CC(=O)CC[C@@]43C)[C@@H]1CC[C@]2(O)C(=O)CO;WHBHBVVOGNECLV-OBQKJFGGSA-N;346.47;2.81;440707;;;;DMPC;CCM18;25;0;;1.37;;3.44;;6.57;;2.08;;;;;;;;;;;;;;;"Benmameri M, Chantemargue B, Humeau A, Trouillas P, Fabre G.: MemCross: Accelerated Weight Histogram method to assess membrane permeability. Biochim Biophys Acta Biomembr, Volume 1865 (3), 184120, 2023"
"2-Hydroxybutyric Acid";MM00597;CC[C@H](O)C(=O)O;AFENDNXGAFYKQO-VKHMYHEASA-N;104.11;-0.16;11266;;;;DMPC;CCM18;25;0;;1.5;;5.76;;0.85;;0.12;;;;;;;;;;;;;;;"Benmameri M, Chantemargue B, Humeau A, Trouillas P, Fabre G.: MemCross: Accelerated Weight Histogram method to assess membrane permeability. Biochim Biophys Acta Biomembr, Volume 1865 (3), 184120, 2023"
"2-Hydroxycaproic Acid";MM00598;CCCC[C@H](O)C(=O)O;NYHNVHGFPZAZGA-YFKPBYRVSA-N;132.16;0.62;99824;;;;DMPC;CCM18;25;0;;1.31;;4.75;;2.59;;1.21;;;;;;;;;;;;;;;"Benmameri M, Chantemargue B, Humeau A, Trouillas P, Fabre G.: MemCross: Accelerated Weight Histogram method to assess membrane permeability. Biochim Biophys Acta Biomembr, Volume 1865 (3), 184120, 2023"
"2-Hydroxyvaleric Acid";MM00600;CCC[C@H](O)C(=O)O;JRHWHSJDIILJAT-BYPYZUCNSA-N;118.13;0.23;98009;;;;DMPC;CCM18;25;0;;1.37;;4.52;;1.53;;0.56;;;;;;;;;;;;;;;"Benmameri M, Chantemargue B, Humeau A, Trouillas P, Fabre G.: MemCross: Accelerated Weight Histogram method to assess membrane permeability. Biochim Biophys Acta Biomembr, Volume 1865 (3), 184120, 2023"
Acebutolol;MM00437;CCCC(=O)Nc1ccc(OCC(O)CNC(C)C)c(C(C)=O)c1;GOEMGAFJFRBGGG-OAHLLOKOSA-N;336.43;2.37;1978;DB01193;;CHEMBL642;DMPC;CCM18;25;0;;1.24;;6.08;;6.87;;3.03;;;;;;;;;;;;;;;"Benmameri M, Chantemargue B, Humeau A, Trouillas P, Fabre G.: MemCross: Accelerated Weight Histogram method to assess membrane permeability. Biochim Biophys Acta Biomembr, Volume 1865 (3), 184120, 2023"
9-hyroxyethoxymethylguanine;MM00074;Nc1nc(=O)c2ncn(COCCO)c2[nH]1;MKUXAQIIEYXACX-UHFFFAOYSA-N;225.21;-1.33;2022;DB00787;AC2;CHEMBL184;DMPC;CCM18;25;0;;1.82;;16.17;;1.13;;-0.4;;;;;;;;;;;;;;;"Benmameri M, Chantemargue B, Humeau A, Trouillas P, Fabre G.: MemCross: Accelerated Weight Histogram method to assess membrane permeability. Biochim Biophys Acta Biomembr, Volume 1865 (3), 184120, 2023"
Adenosine;MM00325;Nc1ncnc2c1ncn2[C@@H]1O[C@H](CO)[C@@H](O)[C@H]1O;OIRDTQYFTABQOQ-KQYNXXCUSA-N;267.25;-1.98;60961;DB00640;ADN;CHEMBL477;DMPC;CCM18;25;0;;3.15;;11.21;;0.8;;-1.95;;;;;;;;;;;;;;;"Benmameri M, Chantemargue B, Humeau A, Trouillas P, Fabre G.: MemCross: Accelerated Weight Histogram method to assess membrane permeability. Biochim Biophys Acta Biomembr, Volume 1865 (3), 184120, 2023"
4-[2-(tert-butylamino)-1-hydroxyethyl]-2-(hydroxymethyl)phenol;MM00438;CC(C)(C)NC[C@@H](O)c1ccc(O)c(CO)c1;NDAUXUAQIAJITI-GFCCVEGCSA-N;239.32;1.31;2083;DB01001;;CHEMBL714;DMPC;CCM18;25;0;;1.24;;4.13;;4.17;;1.65;;;;;;;;;;;;;;;"Benmameri M, Chantemargue B, Humeau A, Trouillas P, Fabre G.: MemCross: Accelerated Weight Histogram method to assess membrane permeability. Biochim Biophys Acta Biomembr, Volume 1865 (3), 184120, 2023"
Aldosterone;MM00327;CC12CCC(=O)C=C1CCC1C2C(O)CC2(C=O)C(C(=O)CO)CCC12;PQSUYGKTWSAVDQ-ZVIOFETBSA-N;360.45;1.85;5839;DB04630;AS4;CHEMBL273453;DMPC;CCM18;25;0;;1.43;;5.12;;5.2;;0.94;;;;;;;;;;;;;;;"Benmameri M, Chantemargue B, Humeau A, Trouillas P, Fabre G.: MemCross: Accelerated Weight Histogram method to assess membrane permeability. Biochim Biophys Acta Biomembr, Volume 1865 (3), 184120, 2023"
Alprazolam;MM00329;Cc1nnc2n1-c1ccc(Cl)cc1C(c1ccccc1)=NC2;IYQBGWNRKQNSIE-LQAWEQHXSA-N;314.82;2.62;2118;DB00404;08H;CHEMBL661;DMPC;CCM18;25;0;;1.05;;5.36;;6.55;;3.12;;;;;;;;;;;;;;;"Benmameri M, Chantemargue B, Humeau A, Trouillas P, Fabre G.: MemCross: Accelerated Weight Histogram method to assess membrane permeability. Biochim Biophys Acta Biomembr, Volume 1865 (3), 184120, 2023"
Alprenolol;MM00440;C=CCc1ccccc1OCC(O)CNC(C)C;PAZJSJFMUHDSTF-CQSZACIVSA-N;249.35;2.15;2119;DB00866;;CHEMBL266195;DMPC;CCM18;25;0;;0.99;;1.49;;7.77;;3.95;;;;;;;;;;;;;;;"Benmameri M, Chantemargue B, Humeau A, Trouillas P, Fabre G.: MemCross: Accelerated Weight Histogram method to assess membrane permeability. Biochim Biophys Acta Biomembr, Volume 1865 (3), 184120, 2023"
Adamantan-1-amine;MM00441;N[C@]12C[C@H]3C[C@H](C[C@H](C3)C1)C2;DKNWSYNQZKUICI-CHIWXEEVSA-N;151.25;1.91;2130;DB00915;;CHEMBL660;DMPC;CCM18;25;0;;1.05;;2.57;;5.74;;3.02;;;;;;;;;;;;;;;"Benmameri M, Chantemargue B, Humeau A, Trouillas P, Fabre G.: MemCross: Accelerated Weight Histogram method to assess membrane permeability. Biochim Biophys Acta Biomembr, Volume 1865 (3), 184120, 2023"
3-(4-aminophenyl)-3-ethylpiperidine-2,6-dione;MM00330;CC[C@@]1(c2ccc(N)cc2)CCC(=O)NC1=O;ROBVIMPUHSLWNV-ZDUSSCGKSA-N;232.28;1.35;2145;DB00357;;CHEMBL488;DMPC;CCM18;25;0;;1.37;;5.48;;3.15;;1.01;;;;;;;;;;;;;;;"Benmameri M, Chantemargue B, Humeau A, Trouillas P, Fabre G.: MemCross: Accelerated Weight Histogram method to assess membrane permeability. Biochim Biophys Acta Biomembr, Volume 1865 (3), 184120, 2023"
Amlodipine;MM00098;CCOC(=O)C1=C(COCCN)NC(C)=C(C(=O)OC)[C@H]1c1ccccc1Cl;HTIQEAQVCYTUBX-QGZVFWFLSA-N;408.88;2.27;2162;DB00381;;CHEMBL1491;DMPC;CCM18;25;0;;1.05;;4.19;;6.89;;2.64;;;;;;;;;;;;;;;"Benmameri M, Chantemargue B, Humeau A, Trouillas P, Fabre G.: MemCross: Accelerated Weight Histogram method to assess membrane permeability. Biochim Biophys Acta Biomembr, Volume 1865 (3), 184120, 2023"
Amoxicillin;MM00716;CC1(C)S[C@@H]2[C@H](NC(=O)[C@H](N)c3ccc(O)cc3)C(=O)N2[C@H]1C(=O)O;LSQZJLSUYDQPKJ-NJBDSQKTSA-N;365.41;0.02;33613;DB01060;;CHEMBL1082;DMPC;CCM18;25;0;;1.69;;10.62;;3.09;;0.7;;;;;;;;;;;;;;;"Benmameri M, Chantemargue B, Humeau A, Trouillas P, Fabre G.: MemCross: Accelerated Weight Histogram method to assess membrane permeability. Biochim Biophys Acta Biomembr, Volume 1865 (3), 184120, 2023"
Ampicillin;MM00627;CC1(C)S[C@@H]2[C@H](NC(=O)[C@H](N)c3ccccc3)C(=O)N2[C@H]1C(=O)O;AVKUERGKIZMTKX-NJBDSQKTSA-N;349.41;0.32;6249;DB00415;AIC;CHEMBL174;DMPC;CCM18;25;0;;1.37;;6.5;;3.56;;1.21;;;;;;;;;;;;;;;"Benmameri M, Chantemargue B, Humeau A, Trouillas P, Fabre G.: MemCross: Accelerated Weight Histogram method to assess membrane permeability. Biochim Biophys Acta Biomembr, Volume 1865 (3), 184120, 2023"
Amprenavir;MM00332;CC(C)CN(CC(O)C(Cc1ccccc1)NC(=O)OC1CCOC1)S(=O)(=O)c1ccc(N)cc1;YMARZQAQMVYCKC-OEMFJLHTSA-N;505.64;2.4;65016;DB00701;478;CHEMBL116;DMPC;CCM18;25;0;;1.31;;6.38;;6.32;;2.64;;;;;;;;;;;;;;;"Benmameri M, Chantemargue B, Humeau A, Trouillas P, Fabre G.: MemCross: Accelerated Weight Histogram method to assess membrane permeability. Biochim Biophys Acta Biomembr, Volume 1865 (3), 184120, 2023"
Atenolol;MM00078;CC(C)NCC(O)COc1ccc(CC(N)=O)cc1;METKIMKYRPQLGS-GFCCVEGCSA-N;266.34;0.45;2249;DB00335;;CHEMBL24;DMPC;CCM18;25;0;;1.37;;6.73;;4.11;;1.14;;;;;;;;;;;;;;;"Benmameri M, Chantemargue B, Humeau A, Trouillas P, Fabre G.: MemCross: Accelerated Weight Histogram method to assess membrane permeability. Biochim Biophys Acta Biomembr, Volume 1865 (3), 184120, 2023"
Atomoxetine;MM00449;CNCCC(Oc1ccccc1C)c1ccccc1;VHGCDTVCOLNTBX-QGZVFWFLSA-N;255.36;3.72;54841;DB00289;;CHEMBL641;DMPC;CCM18;25;0;;0.92;;1.8;;9.82;;5.43;;;;;;;;;;;;;;;"Benmameri M, Chantemargue B, Humeau A, Trouillas P, Fabre G.: MemCross: Accelerated Weight Histogram method to assess membrane permeability. Biochim Biophys Acta Biomembr, Volume 1865 (3), 184120, 2023"
Azithromycin;MM12580;CC[C@H]1OC(=O)[C@H](C)[C@@H](O[C@H]2C[C@@](C)(OC)[C@@H](O)[C@H](C)O2)[C@H](C)[C@@H](O[C@@H]2O[C@H](C)C[C@H](N(C)C)[C@H]2O)[C@](C)(O)C[C@@H](C)CN(C)[C@H](C)[C@@H](O)[C@]1(C)O;MQTOSJVFKKJCRP-BICOPXKESA-N;749;1.9;;;;;DMPC;CCM18;25;0;;0.86;;1.51;;16.86;;8.38;;;;;;;;;;;;;;;"Benmameri M, Chantemargue B, Humeau A, Trouillas P, Fabre G.: MemCross: Accelerated Weight Histogram method to assess membrane permeability. Biochim Biophys Acta Biomembr, Volume 1865 (3), 184120, 2023"
Beclomethasone;MM00335;C[C@H]1C[C@H]2[C@@H]3CCC4=CC(=O)C=C[C@]4(C)[C@@]3(Cl)[C@@H](O)C[C@]2(C)[C@@]1(O)C(=O)CO;NBMKJKDGKREAPL-DVTGEIKXSA-N;408.92;2.17;20469;;;;DMPC;CCM18;25;0;;1.43;;6.36;;5.31;;1.24;;;;;;;;;;;;;;;"Benmameri M, Chantemargue B, Humeau A, Trouillas P, Fabre G.: MemCross: Accelerated Weight Histogram method to assess membrane permeability. Biochim Biophys Acta Biomembr, Volume 1865 (3), 184120, 2023"
Bendroflumethiazide;MM00336;NS(=O)(=O)c1cc2c(cc1C(F)(F)F)N[C@@H](Cc1ccccc1)NS2(=O)=O;HDWIHXWEUNVBIY-CQSZACIVSA-N;421.42;1.63;2315;DB00436;;CHEMBL1684;DMPC;CCM18;25;0;;1.56;;10.4;;4.95;;2.83;;;;;;;;;;;;;;;"Benmameri M, Chantemargue B, Humeau A, Trouillas P, Fabre G.: MemCross: Accelerated Weight Histogram method to assess membrane permeability. Biochim Biophys Acta Biomembr, Volume 1865 (3), 184120, 2023"
3-(benzylsulfanylmethyl)-6-chloro-1,1-dioxo-4H-1lambda6,2,4-benzothiadiazine-7-sulfonamide;MM00631;NS(=O)(=O)c1cc2c(cc1Cl)N[C@H](CSCc1ccccc1)NS2(=O)=O;ZUNJWRJEKCRIMZ-HNNXBMFYSA-N;433.96;1.95;2343;DB00562;;CHEMBL1201039;DMPC;CCM18;25;0;;1.5;;15.18;;5.37;;3.25;;;;;;;;;;;;;;;"Benmameri M, Chantemargue B, Humeau A, Trouillas P, Fabre G.: MemCross: Accelerated Weight Histogram method to assess membrane permeability. Biochim Biophys Acta Biomembr, Volume 1865 (3), 184120, 2023"
"1-isobutoxy-2-pyrrolidino-3[n-benzylanilino] propane";MM00451;CC(C)COC[C@@H](CN(Cc1ccccc1)c1ccccc1)N1CCCC1;UIEATEWHFDRYRU-XMMPIXPASA-N;366.55;4.83;2351;DB01244;BEP;CHEMBL1008;DMPC;CCM18;25;0;;0.86;;1.43;;14.11;;7.74;;;;;;;;;;;;;;;"Benmameri M, Chantemargue B, Humeau A, Trouillas P, Fabre G.: MemCross: Accelerated Weight Histogram method to assess membrane permeability. Biochim Biophys Acta Biomembr, Volume 1865 (3), 184120, 2023"
Bromocriptine;MM00338;CC(C)C[C@H]1C(=O)N2CCC[C@H]2[C@]2(O)O[C@](NC(=O)[C@@H]3C=C4c5cccc6[nH]c(Br)c(c56)C[C@H]4N(C)C3)(C(C)C)C(=O)N12;OZVBMTJYIDMWIL-AYFBDAFISA-N;654.61;3.19;31101;DB01200;08Y;CHEMBL493;DMPC;CCM18;25;0;;0.92;;1.78;;13.2;;6.78;;;;;;;;;;;;;;;"Benmameri M, Chantemargue B, Humeau A, Trouillas P, Fabre G.: MemCross: Accelerated Weight Histogram method to assess membrane permeability. Biochim Biophys Acta Biomembr, Volume 1865 (3), 184120, 2023"
3-(4-bromophenyl)-N,N-dimethyl-3-pyridin-2-ylpropan-1-amine;MM00453;CN(C)CC[C@@H](c1ccc(Br)cc1)c1ccccn1;ZDIGNSYAACHWNL-HNNXBMFYSA-N;319.25;3.93;6834;DB00835;;CHEMBL811;DMPC;CCM18;25;0;;0.99;;1.23;;9.38;;4.86;;;;;;;;;;;;;;;"Benmameri M, Chantemargue B, Humeau A, Trouillas P, Fabre G.: MemCross: Accelerated Weight Histogram method to assess membrane permeability. Biochim Biophys Acta Biomembr, Volume 1865 (3), 184120, 2023"
Budesonide;MM00339;CCC[C@@H]1O[C@@H]2C[C@H]3[C@@H]4CCC5=CC(=O)C=C[C@]5(C)[C@H]4[C@@H](O)C[C@]3(C)[C@]2(C(=O)CO)O1;VOVIALXJUBGFJZ-VXKMTNQYSA-N;430.54;2.72;5281004;DB01222;;CHEMBL1370;DMPC;CCM18;25;0;;1.24;;4.69;;8.59;;3.2;;;;;;;;;;;;;;;"Benmameri M, Chantemargue B, Humeau A, Trouillas P, Fabre G.: MemCross: Accelerated Weight Histogram method to assess membrane permeability. Biochim Biophys Acta Biomembr, Volume 1865 (3), 184120, 2023"
1-butyl-N-(2,6-dimethylphenyl)piperidine-2-carboxamide;MM00454;CCCCN1CCCC[C@H]1C(=O)Nc1c(C)cccc1C;LEBVLXFERQHONN-INIZCTEOSA-N;288.44;3.9;2474;DB00297;;CHEMBL1098;DMPC;CCM18;25;0;;0.92;;1.77;;9.83;;5.21;;;;;;;;;;;;;;;"Benmameri M, Chantemargue B, Humeau A, Trouillas P, Fabre G.: MemCross: Accelerated Weight Histogram method to assess membrane permeability. Biochim Biophys Acta Biomembr, Volume 1865 (3), 184120, 2023"
Bupropion;MM00455;CC(NC(C)(C)C)C(=O)c1cccc(Cl)c1;SNPPWIUOZRMYNY-VIFPVBQESA-N;239.75;3.3;444;DB01156;;CHEMBL894;DMPC;CCM18;25;0;;0.99;;1.53;;7.5;;3.84;;;;;;;;;;;;;;;"Benmameri M, Chantemargue B, Humeau A, Trouillas P, Fabre G.: MemCross: Accelerated Weight Histogram method to assess membrane permeability. Biochim Biophys Acta Biomembr, Volume 1865 (3), 184120, 2023"
1,6-Hexanediol;MM00009;C[C@@H](O)CC[C@@H](C)O;OHMBHFSEKCCCBW-PHDIDXHHSA-N;118.18;0.53;43078;DB02210;HEZ;CHEMBL458616;n-HEX;CCM18;25;0;;2.41;;5.93;;2.58;;0.76;;;;;;;;;;;;;;;"Benmameri M, Chantemargue B, Humeau A, Trouillas P, Fabre G.: MemCross: Accelerated Weight Histogram method to assess membrane permeability. Biochim Biophys Acta Biomembr, Volume 1865 (3), 184120, 2023"
Cortexolone;MM00036;C[C@]12CC[C@H]3[C@@H](CCC4=CC(=O)CC[C@@]43C)[C@@H]1CC[C@]2(O)C(=O)CO;WHBHBVVOGNECLV-OBQKJFGGSA-N;346.47;2.81;440707;;;;n-HEX;CCM18;25;0;;2.41;;3.91;;3.4;;1.56;;;;;;;;;;;;;;;"Benmameri M, Chantemargue B, Humeau A, Trouillas P, Fabre G.: MemCross: Accelerated Weight Histogram method to assess membrane permeability. Biochim Biophys Acta Biomembr, Volume 1865 (3), 184120, 2023"
"2-Hydroxybutyric Acid";MM00597;CC[C@H](O)C(=O)O;AFENDNXGAFYKQO-VKHMYHEASA-N;104.11;-0.16;11266;;;;n-HEX;CCM18;25;0;;2.54;;6.91;;1;;-0.35;;;;;;;;;;;;;;;"Benmameri M, Chantemargue B, Humeau A, Trouillas P, Fabre G.: MemCross: Accelerated Weight Histogram method to assess membrane permeability. Biochim Biophys Acta Biomembr, Volume 1865 (3), 184120, 2023"
"2-Hydroxycaproic Acid";MM00598;CCCC[C@H](O)C(=O)O;NYHNVHGFPZAZGA-YFKPBYRVSA-N;132.16;0.62;99824;;;;n-HEX;CCM18;25;0;;2.41;;5.86;;2.37;;0.64;;;;;;;;;;;;;;;"Benmameri M, Chantemargue B, Humeau A, Trouillas P, Fabre G.: MemCross: Accelerated Weight Histogram method to assess membrane permeability. Biochim Biophys Acta Biomembr, Volume 1865 (3), 184120, 2023"
"2-Hydroxyvaleric Acid";MM00600;CCC[C@H](O)C(=O)O;JRHWHSJDIILJAT-BYPYZUCNSA-N;118.13;0.23;98009;;;;n-HEX;CCM18;25;0;;2.54;;4.45;;1.31;;-0.11;;;;;;;;;;;;;;;"Benmameri M, Chantemargue B, Humeau A, Trouillas P, Fabre G.: MemCross: Accelerated Weight Histogram method to assess membrane permeability. Biochim Biophys Acta Biomembr, Volume 1865 (3), 184120, 2023"
Acebutolol;MM00437;CCCC(=O)Nc1ccc(OCC(O)CNC(C)C)c(C(C)=O)c1;GOEMGAFJFRBGGG-OAHLLOKOSA-N;336.43;2.37;1978;DB01193;;CHEMBL642;n-HEX;CCM18;25;0;;2.41;;6.4;;4.97;;2.44;;;;;;;;;;;;;;;"Benmameri M, Chantemargue B, Humeau A, Trouillas P, Fabre G.: MemCross: Accelerated Weight Histogram method to assess membrane permeability. Biochim Biophys Acta Biomembr, Volume 1865 (3), 184120, 2023"
9-hyroxyethoxymethylguanine;MM00074;Nc1nc(=O)c2ncn(COCCO)c2[nH]1;MKUXAQIIEYXACX-UHFFFAOYSA-N;225.21;-1.33;2022;DB00787;AC2;CHEMBL184;n-HEX;CCM18;25;0;;3.32;;17.9;;1.49;;-1.3;;;;;;;;;;;;;;;"Benmameri M, Chantemargue B, Humeau A, Trouillas P, Fabre G.: MemCross: Accelerated Weight Histogram method to assess membrane permeability. Biochim Biophys Acta Biomembr, Volume 1865 (3), 184120, 2023"
Adenosine;MM00325;Nc1ncnc2c1ncn2[C@@H]1O[C@H](CO)[C@@H](O)[C@H]1O;OIRDTQYFTABQOQ-KQYNXXCUSA-N;267.25;-1.98;60961;DB00640;ADN;CHEMBL477;n-HEX;CCM18;25;0;;2.93;;12.05;;1.33;;-1.24;;;;;;;;;;;;;;;"Benmameri M, Chantemargue B, Humeau A, Trouillas P, Fabre G.: MemCross: Accelerated Weight Histogram method to assess membrane permeability. Biochim Biophys Acta Biomembr, Volume 1865 (3), 184120, 2023"
4-[2-(tert-butylamino)-1-hydroxyethyl]-2-(hydroxymethyl)phenol;MM00438;CC(C)(C)NC[C@@H](O)c1ccc(O)c(CO)c1;NDAUXUAQIAJITI-GFCCVEGCSA-N;239.32;1.31;2083;DB01001;;CHEMBL714;n-HEX;CCM18;25;0;;2.41;;4.84;;3.35;;1.4;;;;;;;;;;;;;;;"Benmameri M, Chantemargue B, Humeau A, Trouillas P, Fabre G.: MemCross: Accelerated Weight Histogram method to assess membrane permeability. Biochim Biophys Acta Biomembr, Volume 1865 (3), 184120, 2023"
Aldosterone;MM00327;CC12CCC(=O)C=C1CCC1C2C(O)CC2(C=O)C(C(=O)CO)CCC12;PQSUYGKTWSAVDQ-ZVIOFETBSA-N;360.45;1.85;5839;DB04630;AS4;CHEMBL273453;n-HEX;CCM18;25;0;;2.54;;5.6;;1.85;;0.33;;;;;;;;;;;;;;;"Benmameri M, Chantemargue B, Humeau A, Trouillas P, Fabre G.: MemCross: Accelerated Weight Histogram method to assess membrane permeability. Biochim Biophys Acta Biomembr, Volume 1865 (3), 184120, 2023"
Alprazolam;MM00329;Cc1nnc2n1-c1ccc(Cl)cc1C(c1ccccc1)=NC2;IYQBGWNRKQNSIE-LQAWEQHXSA-N;314.82;2.62;2118;DB00404;08H;CHEMBL661;n-HEX;CCM18;25;0;;2.28;;5.54;;5.79;;3.02;;;;;;;;;;;;;;;"Benmameri M, Chantemargue B, Humeau A, Trouillas P, Fabre G.: MemCross: Accelerated Weight Histogram method to assess membrane permeability. Biochim Biophys Acta Biomembr, Volume 1865 (3), 184120, 2023"
Alprenolol;MM00440;C=CCc1ccccc1OCC(O)CNC(C)C;PAZJSJFMUHDSTF-CQSZACIVSA-N;249.35;2.15;2119;DB00866;;CHEMBL266195;n-HEX;CCM18;25;0;;2.15;;1.67;;6.66;;3.8;;;;;;;;;;;;;;;"Benmameri M, Chantemargue B, Humeau A, Trouillas P, Fabre G.: MemCross: Accelerated Weight Histogram method to assess membrane permeability. Biochim Biophys Acta Biomembr, Volume 1865 (3), 184120, 2023"
Adamantan-1-amine;MM00441;N[C@]12C[C@H]3C[C@H](C[C@H](C3)C1)C2;DKNWSYNQZKUICI-CHIWXEEVSA-N;151.25;1.91;2130;DB00915;;CHEMBL660;n-HEX;CCM18;25;0;;2.15;;3.2;;5.44;;2.83;;;;;;;;;;;;;;;"Benmameri M, Chantemargue B, Humeau A, Trouillas P, Fabre G.: MemCross: Accelerated Weight Histogram method to assess membrane permeability. Biochim Biophys Acta Biomembr, Volume 1865 (3), 184120, 2023"
3-(4-aminophenyl)-3-ethylpiperidine-2,6-dione;MM00330;CC[C@@]1(c2ccc(N)cc2)CCC(=O)NC1=O;ROBVIMPUHSLWNV-ZDUSSCGKSA-N;232.28;1.35;2145;DB00357;;CHEMBL488;n-HEX;CCM18;25;0;;2.54;;5.47;;1.84;;0.37;;;;;;;;;;;;;;;"Benmameri M, Chantemargue B, Humeau A, Trouillas P, Fabre G.: MemCross: Accelerated Weight Histogram method to assess membrane permeability. Biochim Biophys Acta Biomembr, Volume 1865 (3), 184120, 2023"
Amlodipine;MM00098;CCOC(=O)C1=C(COCCN)NC(C)=C(C(=O)OC)[C@H]1c1ccccc1Cl;HTIQEAQVCYTUBX-QGZVFWFLSA-N;408.88;2.27;2162;DB00381;;CHEMBL1491;n-HEX;CCM18;25;0;;2.15;;3.91;;4.12;;2.1;;;;;;;;;;;;;;;"Benmameri M, Chantemargue B, Humeau A, Trouillas P, Fabre G.: MemCross: Accelerated Weight Histogram method to assess membrane permeability. Biochim Biophys Acta Biomembr, Volume 1865 (3), 184120, 2023"
Amoxicillin;MM00716;CC1(C)S[C@@H]2[C@H](NC(=O)[C@H](N)c3ccc(O)cc3)C(=O)N2[C@H]1C(=O)O;LSQZJLSUYDQPKJ-NJBDSQKTSA-N;365.41;0.02;33613;DB01060;;CHEMBL1082;n-HEX;CCM18;25;0;;2.67;;13.19;;0.88;;-0.41;;;;;;;;;;;;;;;"Benmameri M, Chantemargue B, Humeau A, Trouillas P, Fabre G.: MemCross: Accelerated Weight Histogram method to assess membrane permeability. Biochim Biophys Acta Biomembr, Volume 1865 (3), 184120, 2023"
Ampicillin;MM00627;CC1(C)S[C@@H]2[C@H](NC(=O)[C@H](N)c3ccccc3)C(=O)N2[C@H]1C(=O)O;AVKUERGKIZMTKX-NJBDSQKTSA-N;349.41;0.32;6249;DB00415;AIC;CHEMBL174;n-HEX;CCM18;25;0;;2.54;;7.79;;1.94;;0.49;;;;;;;;;;;;;;;"Benmameri M, Chantemargue B, Humeau A, Trouillas P, Fabre G.: MemCross: Accelerated Weight Histogram method to assess membrane permeability. Biochim Biophys Acta Biomembr, Volume 1865 (3), 184120, 2023"
Amprenavir;MM00332;CC(C)CN(CC(O)C(Cc1ccccc1)NC(=O)OC1CCOC1)S(=O)(=O)c1ccc(N)cc1;YMARZQAQMVYCKC-OEMFJLHTSA-N;505.64;2.4;65016;DB00701;478;CHEMBL116;n-HEX;CCM18;25;0;;2.54;;7.11;;4.75;;2.35;;;;;;;;;;;;;;;"Benmameri M, Chantemargue B, Humeau A, Trouillas P, Fabre G.: MemCross: Accelerated Weight Histogram method to assess membrane permeability. Biochim Biophys Acta Biomembr, Volume 1865 (3), 184120, 2023"
Atenolol;MM00078;CC(C)NCC(O)COc1ccc(CC(N)=O)cc1;METKIMKYRPQLGS-GFCCVEGCSA-N;266.34;0.45;2249;DB00335;;CHEMBL24;n-HEX;CCM18;25;0;;2.54;;8.06;;2.67;;0.87;;;;;;;;;;;;;;;"Benmameri M, Chantemargue B, Humeau A, Trouillas P, Fabre G.: MemCross: Accelerated Weight Histogram method to assess membrane permeability. Biochim Biophys Acta Biomembr, Volume 1865 (3), 184120, 2023"
Atomoxetine;MM00449;CNCCC(Oc1ccccc1C)c1ccccc1;VHGCDTVCOLNTBX-QGZVFWFLSA-N;255.36;3.72;54841;DB00289;;CHEMBL641;n-HEX;CCM18;25;0;;2.02;;1.76;;8.43;;5.07;;;;;;;;;;;;;;;"Benmameri M, Chantemargue B, Humeau A, Trouillas P, Fabre G.: MemCross: Accelerated Weight Histogram method to assess membrane permeability. Biochim Biophys Acta Biomembr, Volume 1865 (3), 184120, 2023"
Azithromycin;MM12580;CC[C@H]1OC(=O)[C@H](C)[C@@H](O[C@H]2C[C@@](C)(OC)[C@@H](O)[C@H](C)O2)[C@H](C)[C@@H](O[C@@H]2O[C@H](C)C[C@H](N(C)C)[C@H]2O)[C@](C)(O)C[C@@H](C)CN(C)[C@H](C)[C@@H](O)[C@]1(C)O;MQTOSJVFKKJCRP-BICOPXKESA-N;749;1.9;;;;;n-HEX;CCM18;25;0;;2.02;;1.69;;12.59;;7.99;;;;;;;;;;;;;;;"Benmameri M, Chantemargue B, Humeau A, Trouillas P, Fabre G.: MemCross: Accelerated Weight Histogram method to assess membrane permeability. Biochim Biophys Acta Biomembr, Volume 1865 (3), 184120, 2023"
Beclomethasone;MM00335;C[C@H]1C[C@H]2[C@@H]3CCC4=CC(=O)C=C[C@]4(C)[C@@]3(Cl)[C@@H](O)C[C@]2(C)[C@@]1(O)C(=O)CO;NBMKJKDGKREAPL-DVTGEIKXSA-N;408.92;2.17;20469;;;;n-HEX;CCM18;25;0;;2.54;;7.12;;2.5;;0.71;;;;;;;;;;;;;;;"Benmameri M, Chantemargue B, Humeau A, Trouillas P, Fabre G.: MemCross: Accelerated Weight Histogram method to assess membrane permeability. Biochim Biophys Acta Biomembr, Volume 1865 (3), 184120, 2023"
Bendroflumethiazide;MM00336;NS(=O)(=O)c1cc2c(cc1C(F)(F)F)N[C@@H](Cc1ccccc1)NS2(=O)=O;HDWIHXWEUNVBIY-CQSZACIVSA-N;421.42;1.63;2315;DB00436;;CHEMBL1684;n-HEX;CCM18;25;0;;2.41;;8.58;;3;;1.09;;;;;;;;;;;;;;;"Benmameri M, Chantemargue B, Humeau A, Trouillas P, Fabre G.: MemCross: Accelerated Weight Histogram method to assess membrane permeability. Biochim Biophys Acta Biomembr, Volume 1865 (3), 184120, 2023"
3-(benzylsulfanylmethyl)-6-chloro-1,1-dioxo-4H-1lambda6,2,4-benzothiadiazine-7-sulfonamide;MM00631;NS(=O)(=O)c1cc2c(cc1Cl)N[C@H](CSCc1ccccc1)NS2(=O)=O;ZUNJWRJEKCRIMZ-HNNXBMFYSA-N;433.96;1.95;2343;DB00562;;CHEMBL1201039;n-HEX;CCM18;25;0;;2.67;;12.52;;2.76;;0.98;;;;;;;;;;;;;;;"Benmameri M, Chantemargue B, Humeau A, Trouillas P, Fabre G.: MemCross: Accelerated Weight Histogram method to assess membrane permeability. Biochim Biophys Acta Biomembr, Volume 1865 (3), 184120, 2023"
"1-isobutoxy-2-pyrrolidino-3[n-benzylanilino] propane";MM00451;CC(C)COC[C@@H](CN(Cc1ccccc1)c1ccccc1)N1CCCC1;UIEATEWHFDRYRU-XMMPIXPASA-N;366.55;4.83;2351;DB01244;BEP;CHEMBL1008;n-HEX;CCM18;25;0;;2.02;;1.62;;11.99;;7.52;;;;;;;;;;;;;;;"Benmameri M, Chantemargue B, Humeau A, Trouillas P, Fabre G.: MemCross: Accelerated Weight Histogram method to assess membrane permeability. Biochim Biophys Acta Biomembr, Volume 1865 (3), 184120, 2023"
Bromocriptine;MM00338;CC(C)C[C@H]1C(=O)N2CCC[C@H]2[C@]2(O)O[C@](NC(=O)[C@@H]3C=C4c5cccc6[nH]c(Br)c(c56)C[C@H]4N(C)C3)(C(C)C)C(=O)N12;OZVBMTJYIDMWIL-AYFBDAFISA-N;654.61;3.19;31101;DB01200;08Y;CHEMBL493;n-HEX;CCM18;25;0;;1.89;;2.7;;9.01;;5.51;;;;;;;;;;;;;;;"Benmameri M, Chantemargue B, Humeau A, Trouillas P, Fabre G.: MemCross: Accelerated Weight Histogram method to assess membrane permeability. Biochim Biophys Acta Biomembr, Volume 1865 (3), 184120, 2023"
3-(4-bromophenyl)-N,N-dimethyl-3-pyridin-2-ylpropan-1-amine;MM00453;CN(C)CC[C@@H](c1ccc(Br)cc1)c1ccccn1;ZDIGNSYAACHWNL-HNNXBMFYSA-N;319.25;3.93;6834;DB00835;;CHEMBL811;n-HEX;CCM18;25;0;;2.15;;1.64;;8.16;;4.84;;;;;;;;;;;;;;;"Benmameri M, Chantemargue B, Humeau A, Trouillas P, Fabre G.: MemCross: Accelerated Weight Histogram method to assess membrane permeability. Biochim Biophys Acta Biomembr, Volume 1865 (3), 184120, 2023"
Budesonide;MM00339;CCC[C@@H]1O[C@@H]2C[C@H]3[C@@H]4CCC5=CC(=O)C=C[C@]5(C)[C@H]4[C@@H](O)C[C@]3(C)[C@]2(C(=O)CO)O1;VOVIALXJUBGFJZ-VXKMTNQYSA-N;430.54;2.72;5281004;DB01222;;CHEMBL1370;n-HEX;CCM18;25;0;;2.41;;4.86;;4.29;;2.15;;;;;;;;;;;;;;;"Benmameri M, Chantemargue B, Humeau A, Trouillas P, Fabre G.: MemCross: Accelerated Weight Histogram method to assess membrane permeability. Biochim Biophys Acta Biomembr, Volume 1865 (3), 184120, 2023"
1-butyl-N-(2,6-dimethylphenyl)piperidine-2-carboxamide;MM00454;CCCCN1CCCC[C@H]1C(=O)Nc1c(C)cccc1C;LEBVLXFERQHONN-INIZCTEOSA-N;288.44;3.9;2474;DB00297;;CHEMBL1098;n-HEX;CCM18;25;0;;2.15;;2.61;;8.85;;5.17;;;;;;;;;;;;;;;"Benmameri M, Chantemargue B, Humeau A, Trouillas P, Fabre G.: MemCross: Accelerated Weight Histogram method to assess membrane permeability. Biochim Biophys Acta Biomembr, Volume 1865 (3), 184120, 2023"
Bupropion;MM00455;CC(NC(C)(C)C)C(=O)c1cccc(Cl)c1;SNPPWIUOZRMYNY-VIFPVBQESA-N;239.75;3.3;444;DB01156;;CHEMBL894;n-HEX;CCM18;25;0;;2.15;;1.67;;6.38;;3.61;;;;;;;;;;;;;;;"Benmameri M, Chantemargue B, Humeau A, Trouillas P, Fabre G.: MemCross: Accelerated Weight Histogram method to assess membrane permeability. Biochim Biophys Acta Biomembr, Volume 1865 (3), 184120, 2023"
Cortexolone;MM00036;C[C@]12CC[C@H]3[C@@H](CCC4=CC(=O)CC[C@@]43C)[C@@H]1CC[C@]2(O)C(=O)CO;WHBHBVVOGNECLV-OBQKJFGGSA-N;346.47;2.81;440707;;;;DOPC;CCM18;25;0;;1.36;;3.34;;6.66;;2.1;;;;;;;;;;;;;;;"Benmameri M, Chantemargue B, Humeau A, Trouillas P, Fabre G.: MemCross: Accelerated Weight Histogram method to assess membrane permeability. Biochim Biophys Acta Biomembr, Volume 1865 (3), 184120, 2023"
1,6-Hexanediol;MM00009;C[C@@H](O)CC[C@@H](C)O;OHMBHFSEKCCCBW-PHDIDXHHSA-N;118.18;0.53;43078;DB02210;HEZ;CHEMBL458616;DOPC;CCM18;25;0;;1.28;;4.95;;2.35;;0.68;;;;;;;;;;;;;;;"Benmameri M, Chantemargue B, Humeau A, Trouillas P, Fabre G.: MemCross: Accelerated Weight Histogram method to assess membrane permeability. Biochim Biophys Acta Biomembr, Volume 1865 (3), 184120, 2023"
"2-Hydroxybutyric Acid";MM00597;CC[C@H](O)C(=O)O;AFENDNXGAFYKQO-VKHMYHEASA-N;104.11;-0.16;11266;;;;DOPC;CCM18;25;0;;1.58;;6.25;;0.89;;-0.03;;;;;;;;;;;;;;;"Benmameri M, Chantemargue B, Humeau A, Trouillas P, Fabre G.: MemCross: Accelerated Weight Histogram method to assess membrane permeability. Biochim Biophys Acta Biomembr, Volume 1865 (3), 184120, 2023"
"2-Hydroxycaproic Acid";MM00598;CCCC[C@H](O)C(=O)O;NYHNVHGFPZAZGA-YFKPBYRVSA-N;132.16;0.62;99824;;;;DOPC;CCM18;25;0;;1.36;;4.93;;2.57;;1.07;;;;;;;;;;;;;;;"Benmameri M, Chantemargue B, Humeau A, Trouillas P, Fabre G.: MemCross: Accelerated Weight Histogram method to assess membrane permeability. Biochim Biophys Acta Biomembr, Volume 1865 (3), 184120, 2023"
"2-Hydroxyvaleric Acid";MM00600;CCC[C@H](O)C(=O)O;JRHWHSJDIILJAT-BYPYZUCNSA-N;118.13;0.23;98009;;;;DOPC;CCM18;25;0;;1.5;;4.4;;1.65;;0.44;;;;;;;;;;;;;;;"Benmameri M, Chantemargue B, Humeau A, Trouillas P, Fabre G.: MemCross: Accelerated Weight Histogram method to assess membrane permeability. Biochim Biophys Acta Biomembr, Volume 1865 (3), 184120, 2023"
Acebutolol;MM00437;CCCC(=O)Nc1ccc(OCC(O)CNC(C)C)c(C(C)=O)c1;GOEMGAFJFRBGGG-OAHLLOKOSA-N;336.43;2.37;1978;DB01193;;CHEMBL642;DOPC;CCM18;25;0;;1.28;;5.62;;6.96;;3.06;;;;;;;;;;;;;;;"Benmameri M, Chantemargue B, Humeau A, Trouillas P, Fabre G.: MemCross: Accelerated Weight Histogram method to assess membrane permeability. Biochim Biophys Acta Biomembr, Volume 1865 (3), 184120, 2023"
9-hyroxyethoxymethylguanine;MM00074;Nc1nc(=O)c2ncn(COCCO)c2[nH]1;MKUXAQIIEYXACX-UHFFFAOYSA-N;225.21;-1.33;2022;DB00787;AC2;CHEMBL184;DOPC;CCM18;25;0;;1.8;;15.66;;0.93;;-0.9;;;;;;;;;;;;;;;"Benmameri M, Chantemargue B, Humeau A, Trouillas P, Fabre G.: MemCross: Accelerated Weight Histogram method to assess membrane permeability. Biochim Biophys Acta Biomembr, Volume 1865 (3), 184120, 2023"
Adenosine;MM00325;Nc1ncnc2c1ncn2[C@@H]1O[C@H](CO)[C@@H](O)[C@H]1O;OIRDTQYFTABQOQ-KQYNXXCUSA-N;267.25;-1.98;60961;DB00640;ADN;CHEMBL477;DOPC;CCM18;25;0;;3.63;;11.27;;0.83;;-2.11;;;;;;;;;;;;;;;"Benmameri M, Chantemargue B, Humeau A, Trouillas P, Fabre G.: MemCross: Accelerated Weight Histogram method to assess membrane permeability. Biochim Biophys Acta Biomembr, Volume 1865 (3), 184120, 2023"
4-[2-(tert-butylamino)-1-hydroxyethyl]-2-(hydroxymethyl)phenol;MM00438;CC(C)(C)NC[C@@H](O)c1ccc(O)c(CO)c1;NDAUXUAQIAJITI-GFCCVEGCSA-N;239.32;1.31;2083;DB01001;;CHEMBL714;DOPC;CCM18;25;0;;1.21;;4.36;;4.15;;1.59;;;;;;;;;;;;;;;"Benmameri M, Chantemargue B, Humeau A, Trouillas P, Fabre G.: MemCross: Accelerated Weight Histogram method to assess membrane permeability. Biochim Biophys Acta Biomembr, Volume 1865 (3), 184120, 2023"
Aldosterone;MM00327;CC12CCC(=O)C=C1CCC1C2C(O)CC2(C=O)C(C(=O)CO)CCC12;PQSUYGKTWSAVDQ-ZVIOFETBSA-N;360.45;1.85;5839;DB04630;AS4;CHEMBL273453;DOPC;CCM18;25;0;;1.43;;4.83;;5.1;;0.85;;;;;;;;;;;;;;;"Benmameri M, Chantemargue B, Humeau A, Trouillas P, Fabre G.: MemCross: Accelerated Weight Histogram method to assess membrane permeability. Biochim Biophys Acta Biomembr, Volume 1865 (3), 184120, 2023"
Alprazolam;MM00329;Cc1nnc2n1-c1ccc(Cl)cc1C(c1ccccc1)=NC2;IYQBGWNRKQNSIE-LQAWEQHXSA-N;314.82;2.62;2118;DB00404;08H;CHEMBL661;DOPC;CCM18;25;0;;1.14;;4.8;;6.28;;2.98;;;;;;;;;;;;;;;"Benmameri M, Chantemargue B, Humeau A, Trouillas P, Fabre G.: MemCross: Accelerated Weight Histogram method to assess membrane permeability. Biochim Biophys Acta Biomembr, Volume 1865 (3), 184120, 2023"
Alprenolol;MM00440;C=CCc1ccccc1OCC(O)CNC(C)C;PAZJSJFMUHDSTF-CQSZACIVSA-N;249.35;2.15;2119;DB00866;;CHEMBL266195;DOPC;CCM18;25;0;;0.99;;1.5;;7.74;;3.96;;;;;;;;;;;;;;;"Benmameri M, Chantemargue B, Humeau A, Trouillas P, Fabre G.: MemCross: Accelerated Weight Histogram method to assess membrane permeability. Biochim Biophys Acta Biomembr, Volume 1865 (3), 184120, 2023"
Adamantan-1-amine;MM00441;N[C@]12C[C@H]3C[C@H](C[C@H](C3)C1)C2;DKNWSYNQZKUICI-CHIWXEEVSA-N;151.25;1.91;2130;DB00915;;CHEMBL660;DOPC;CCM18;25;0;;1.06;;2.71;;5.61;;2.95;;;;;;;;;;;;;;;"Benmameri M, Chantemargue B, Humeau A, Trouillas P, Fabre G.: MemCross: Accelerated Weight Histogram method to assess membrane permeability. Biochim Biophys Acta Biomembr, Volume 1865 (3), 184120, 2023"
3-(4-aminophenyl)-3-ethylpiperidine-2,6-dione;MM00330;CC[C@@]1(c2ccc(N)cc2)CCC(=O)NC1=O;ROBVIMPUHSLWNV-ZDUSSCGKSA-N;232.28;1.35;2145;DB00357;;CHEMBL488;DOPC;CCM18;25;0;;1.43;;5.61;;3.06;;0.88;;;;;;;;;;;;;;;"Benmameri M, Chantemargue B, Humeau A, Trouillas P, Fabre G.: MemCross: Accelerated Weight Histogram method to assess membrane permeability. Biochim Biophys Acta Biomembr, Volume 1865 (3), 184120, 2023"
Amlodipine;MM00098;CCOC(=O)C1=C(COCCN)NC(C)=C(C(=O)OC)[C@H]1c1ccccc1Cl;HTIQEAQVCYTUBX-QGZVFWFLSA-N;408.88;2.27;2162;DB00381;;CHEMBL1491;DOPC;CCM18;25;0;;1.06;;3.81;;7.09;;2.69;;;;;;;;;;;;;;;"Benmameri M, Chantemargue B, Humeau A, Trouillas P, Fabre G.: MemCross: Accelerated Weight Histogram method to assess membrane permeability. Biochim Biophys Acta Biomembr, Volume 1865 (3), 184120, 2023"
Amoxicillin;MM00716;CC1(C)S[C@@H]2[C@H](NC(=O)[C@H](N)c3ccc(O)cc3)C(=O)N2[C@H]1C(=O)O;LSQZJLSUYDQPKJ-NJBDSQKTSA-N;365.41;0.02;33613;DB01060;;CHEMBL1082;DOPC;CCM18;25;0;;1.65;;11.14;;3.24;;0.64;;;;;;;;;;;;;;;"Benmameri M, Chantemargue B, Humeau A, Trouillas P, Fabre G.: MemCross: Accelerated Weight Histogram method to assess membrane permeability. Biochim Biophys Acta Biomembr, Volume 1865 (3), 184120, 2023"
Ampicillin;MM00627;CC1(C)S[C@@H]2[C@H](NC(=O)[C@H](N)c3ccccc3)C(=O)N2[C@H]1C(=O)O;AVKUERGKIZMTKX-NJBDSQKTSA-N;349.41;0.32;6249;DB00415;AIC;CHEMBL174;DOPC;CCM18;25;0;;1.43;;6.65;;3.51;;1.11;;;;;;;;;;;;;;;"Benmameri M, Chantemargue B, Humeau A, Trouillas P, Fabre G.: MemCross: Accelerated Weight Histogram method to assess membrane permeability. Biochim Biophys Acta Biomembr, Volume 1865 (3), 184120, 2023"
Amprenavir;MM00332;CC(C)CN(CC(O)C(Cc1ccccc1)NC(=O)OC1CCOC1)S(=O)(=O)c1ccc(N)cc1;YMARZQAQMVYCKC-OEMFJLHTSA-N;505.64;2.4;65016;DB00701;478;CHEMBL116;DOPC;CCM18;25;0;;1.36;;5.97;;6.44;;2.66;;;;;;;;;;;;;;;"Benmameri M, Chantemargue B, Humeau A, Trouillas P, Fabre G.: MemCross: Accelerated Weight Histogram method to assess membrane permeability. Biochim Biophys Acta Biomembr, Volume 1865 (3), 184120, 2023"
Atenolol;MM00078;CC(C)NCC(O)COc1ccc(CC(N)=O)cc1;METKIMKYRPQLGS-GFCCVEGCSA-N;266.34;0.45;2249;DB00335;;CHEMBL24;DOPC;CCM18;25;0;;1.36;;6.34;;4.06;;1.07;;;;;;;;;;;;;;;"Benmameri M, Chantemargue B, Humeau A, Trouillas P, Fabre G.: MemCross: Accelerated Weight Histogram method to assess membrane permeability. Biochim Biophys Acta Biomembr, Volume 1865 (3), 184120, 2023"
Atomoxetine;MM00449;CNCCC(Oc1ccccc1C)c1ccccc1;VHGCDTVCOLNTBX-QGZVFWFLSA-N;255.36;3.72;54841;DB00289;;CHEMBL641;DOPC;CCM18;25;0;;0.92;;1.75;;9.76;;5.44;;;;;;;;;;;;;;;"Benmameri M, Chantemargue B, Humeau A, Trouillas P, Fabre G.: MemCross: Accelerated Weight Histogram method to assess membrane permeability. Biochim Biophys Acta Biomembr, Volume 1865 (3), 184120, 2023"
Azithromycin;MM12580;CC[C@H]1OC(=O)[C@H](C)[C@@H](O[C@H]2C[C@@](C)(OC)[C@@H](O)[C@H](C)O2)[C@H](C)[C@@H](O[C@@H]2O[C@H](C)C[C@H](N(C)C)[C@H]2O)[C@](C)(O)C[C@@H](C)CN(C)[C@H](C)[C@@H](O)[C@]1(C)O;MQTOSJVFKKJCRP-BICOPXKESA-N;749;1.9;;;;;DOPC;CCM18;25;0;;0.92;;1.64;;17.44;;8.72;;;;;;;;;;;;;;;"Benmameri M, Chantemargue B, Humeau A, Trouillas P, Fabre G.: MemCross: Accelerated Weight Histogram method to assess membrane permeability. Biochim Biophys Acta Biomembr, Volume 1865 (3), 184120, 2023"
Beclomethasone;MM00335;C[C@H]1C[C@H]2[C@@H]3CCC4=CC(=O)C=C[C@]4(C)[C@@]3(Cl)[C@@H](O)C[C@]2(C)[C@@]1(O)C(=O)CO;NBMKJKDGKREAPL-DVTGEIKXSA-N;408.92;2.17;20469;;;;DOPC;CCM18;25;0;;1.43;;5.98;;5.28;;1.21;;;;;;;;;;;;;;;"Benmameri M, Chantemargue B, Humeau A, Trouillas P, Fabre G.: MemCross: Accelerated Weight Histogram method to assess membrane permeability. Biochim Biophys Acta Biomembr, Volume 1865 (3), 184120, 2023"
Bendroflumethiazide;MM00336;NS(=O)(=O)c1cc2c(cc1C(F)(F)F)N[C@@H](Cc1ccccc1)NS2(=O)=O;HDWIHXWEUNVBIY-CQSZACIVSA-N;421.42;1.63;2315;DB00436;;CHEMBL1684;DOPC;CCM18;25;0;;1.58;;10.01;;5.23;;2.71;;;;;;;;;;;;;;;"Benmameri M, Chantemargue B, Humeau A, Trouillas P, Fabre G.: MemCross: Accelerated Weight Histogram method to assess membrane permeability. Biochim Biophys Acta Biomembr, Volume 1865 (3), 184120, 2023"
3-(benzylsulfanylmethyl)-6-chloro-1,1-dioxo-4H-1lambda6,2,4-benzothiadiazine-7-sulfonamide;MM00631;NS(=O)(=O)c1cc2c(cc1Cl)N[C@H](CSCc1ccccc1)NS2(=O)=O;ZUNJWRJEKCRIMZ-HNNXBMFYSA-N;433.96;1.95;2343;DB00562;;CHEMBL1201039;DOPC;CCM18;25;0;;1.58;;14.36;;5.44;;3.02;;;;;;;;;;;;;;;"Benmameri M, Chantemargue B, Humeau A, Trouillas P, Fabre G.: MemCross: Accelerated Weight Histogram method to assess membrane permeability. Biochim Biophys Acta Biomembr, Volume 1865 (3), 184120, 2023"
"1-isobutoxy-2-pyrrolidino-3[n-benzylanilino] propane";MM00451;CC(C)COC[C@@H](CN(Cc1ccccc1)c1ccccc1)N1CCCC1;UIEATEWHFDRYRU-XMMPIXPASA-N;366.55;4.83;2351;DB01244;BEP;CHEMBL1008;DOPC;CCM18;25;0;;0.84;;1.7;;14.13;;7.86;;;;;;;;;;;;;;;"Benmameri M, Chantemargue B, Humeau A, Trouillas P, Fabre G.: MemCross: Accelerated Weight Histogram method to assess membrane permeability. Biochim Biophys Acta Biomembr, Volume 1865 (3), 184120, 2023"
Bromocriptine;MM00338;CC(C)C[C@H]1C(=O)N2CCC[C@H]2[C@]2(O)O[C@](NC(=O)[C@@H]3C=C4c5cccc6[nH]c(Br)c(c56)C[C@H]4N(C)C3)(C(C)C)C(=O)N12;OZVBMTJYIDMWIL-AYFBDAFISA-N;654.61;3.19;31101;DB01200;08Y;CHEMBL493;DOPC;CCM18;25;0;;0.99;;2.04;;13.25;;6.84;;;;;;;;;;;;;;;"Benmameri M, Chantemargue B, Humeau A, Trouillas P, Fabre G.: MemCross: Accelerated Weight Histogram method to assess membrane permeability. Biochim Biophys Acta Biomembr, Volume 1865 (3), 184120, 2023"
3-(4-bromophenyl)-N,N-dimethyl-3-pyridin-2-ylpropan-1-amine;MM00453;CN(C)CC[C@@H](c1ccc(Br)cc1)c1ccccn1;ZDIGNSYAACHWNL-HNNXBMFYSA-N;319.25;3.93;6834;DB00835;;CHEMBL811;DOPC;CCM18;25;0;;0.99;;1.36;;9.45;;4.91;;;;;;;;;;;;;;;"Benmameri M, Chantemargue B, Humeau A, Trouillas P, Fabre G.: MemCross: Accelerated Weight Histogram method to assess membrane permeability. Biochim Biophys Acta Biomembr, Volume 1865 (3), 184120, 2023"
Budesonide;MM00339;CCC[C@@H]1O[C@@H]2C[C@H]3[C@@H]4CCC5=CC(=O)C=C[C@]5(C)[C@H]4[C@@H](O)C[C@]3(C)[C@]2(C(=O)CO)O1;VOVIALXJUBGFJZ-VXKMTNQYSA-N;430.54;2.72;5281004;DB01222;;CHEMBL1370;DOPC;CCM18;25;0;;1.21;;4.56;;8.65;;3.22;;;;;;;;;;;;;;;"Benmameri M, Chantemargue B, Humeau A, Trouillas P, Fabre G.: MemCross: Accelerated Weight Histogram method to assess membrane permeability. Biochim Biophys Acta Biomembr, Volume 1865 (3), 184120, 2023"
1-butyl-N-(2,6-dimethylphenyl)piperidine-2-carboxamide;MM00454;CCCCN1CCCC[C@H]1C(=O)Nc1c(C)cccc1C;LEBVLXFERQHONN-INIZCTEOSA-N;288.44;3.9;2474;DB00297;;CHEMBL1098;DOPC;CCM18;25;0;;0.92;;2.07;;10.03;;5.3;;;;;;;;;;;;;;;"Benmameri M, Chantemargue B, Humeau A, Trouillas P, Fabre G.: MemCross: Accelerated Weight Histogram method to assess membrane permeability. Biochim Biophys Acta Biomembr, Volume 1865 (3), 184120, 2023"
Bupropion;MM00455;CC(NC(C)(C)C)C(=O)c1cccc(Cl)c1;SNPPWIUOZRMYNY-VIFPVBQESA-N;239.75;3.3;444;DB01156;;CHEMBL894;DOPC;CCM18;25;0;;0.99;;1.66;;7.59;;3.87;;;;;;;;;;;;;;;"Benmameri M, Chantemargue B, Humeau A, Trouillas P, Fabre G.: MemCross: Accelerated Weight Histogram method to assess membrane permeability. Biochim Biophys Acta Biomembr, Volume 1865 (3), 184120, 2023"
Progesterone;MM00198;CC(=O)C1CCC2C3CCC4=CC(=O)CCC4(C)C3CCC12C;RJKFOVLPORLFTN-UHFFFAOYSA-N;314.47;4.72;5994;DB00396;STR;CHEMBL103;BBB;EPAM;25;0;"<a href=https://www.ebi.ac.uk/chembl/assay_report_card/CHEMBL3366747/  target=_blank>CHEMBL3366747</a>";;;;;;;;;-4.77;;;;;;;;;;;;"Pérez-Areales FJ, Di Pietro O, Espargaró A, Vallverdú-Queralt A, Galdeano C, Ragusa IM, Viayna E, Guillou C, Clos MV, Pérez B, Sabaté R, Lamuela-Raventós RM, Luque FJ, Muñoz-Torrero D.: Shogaol-huprine hybrids: dual antioxidant and anticholinesterase agents with β-amyloid and tau anti-aggregating properties. Bioorg Med Chem, Volume 22 (19), 2014";ChEMBL
Progesterone;MM00198;CC(=O)C1CCC2C3CCC4=CC(=O)CCC4(C)C3CCC12C;RJKFOVLPORLFTN-UHFFFAOYSA-N;314.47;4.72;5994;DB00396;STR;CHEMBL103;BBB;EPAM;25;0;"<a href=https://www.ebi.ac.uk/chembl/assay_report_card/CHEMBL3404446/  target=_blank>CHEMBL3404446</a>";;;;;;;;;-5.1;;;;;;;;;;;;"Guzior N, Bajda M, Rakoczy J, Brus B, Gobec S, Malawska B.: Isoindoline-1,3-dione derivatives targeting cholinesterases: design, synthesis and biological evaluation of potential anti-Alzheimer's agents. Bioorg Med Chem, Volume 23 (7), 2015";ChEMBL
Progesterone;MM00198;CC(=O)C1CCC2C3CCC4=CC(=O)CCC4(C)C3CCC12C;RJKFOVLPORLFTN-UHFFFAOYSA-N;314.47;4.72;5994;DB00396;STR;CHEMBL103;BBB;EPAM;25;0;"<a href=https://www.ebi.ac.uk/chembl/assay_report_card/CHEMBL3406583/  target=_blank>CHEMBL3406583</a>";;;;;;;;;-5.1;;;;;;;;;;;;"Więckowska A, Więckowski K, Bajda M, Brus B, Sałat K, Czerwińska P, Gobec S, Filipek B, Malawska B.: Synthesis of new N-benzylpiperidine derivatives as cholinesterase inhibitors with β-amyloid anti-aggregation properties and beneficial effects on memory in vivo. Bioorg Med Chem, Volume 23 (10), 2015";ChEMBL
Progesterone;MM00198;CC(=O)C1CCC2C3CCC4=CC(=O)CCC4(C)C3CCC12C;RJKFOVLPORLFTN-UHFFFAOYSA-N;314.47;4.72;5994;DB00396;STR;CHEMBL103;BBB;EPAM;25;0;"<a href=https://www.ebi.ac.uk/chembl/assay_report_card/CHEMBL3826717/  target=_blank>CHEMBL3826717</a>";;;;;;;;;-5.25;;;;;;;;;;;;"Wang J, Wang ZM, Li XM, Li F, Wu JJ, Kong LY, Wang XB.: Synthesis and evaluation of multi-target-directed ligands for the treatment of Alzheimer's disease based on the fusion of donepezil and melatonin. Bioorg Med Chem, Volume 24 (18), 2016";ChEMBL
Progesterone;MM00198;CC(=O)C1CCC2C3CCC4=CC(=O)CCC4(C)C3CCC12C;RJKFOVLPORLFTN-UHFFFAOYSA-N;314.47;4.72;5994;DB00396;STR;CHEMBL103;BBB;EPAM;25;0;"<a href=https://www.ebi.ac.uk/chembl/assay_report_card/CHEMBL3796842/  target=_blank>CHEMBL3796842</a>";;;;;;;;;-4.8;;;;;;;;;;;;"Pan W, Hu K, Bai P, Yu L, Ma Q, Li T, Zhang X, Chen C, Peng K, Liu W, Sang Z.: Design, synthesis and evaluation of novel ferulic acid-memoquin hybrids as potential multifunctional agents for the treatment of Alzheimer's disease. Bioorg Med Chem Lett, Volume 26 (10), 2016";ChEMBL
Progesterone;MM00198;CC(=O)C1CCC2C3CCC4=CC(=O)CCC4(C)C3CCC12C;RJKFOVLPORLFTN-UHFFFAOYSA-N;314.47;4.72;5994;DB00396;STR;CHEMBL103;BBB;EPAM;25;0;"<a href=https://www.ebi.ac.uk/chembl/assay_report_card/CHEMBL3123849/  target=_blank>CHEMBL3123849</a>";;;;;;;;;-5.03;;;;;;;;;;;;"Di Pietro O, Viayna E, Vicente-García E, Bartolini M, Ramón R, Juárez-Jiménez J, Clos MV, Pérez B, Andrisano V, Luque FJ, Lavilla R, Muñoz-Torrero D.: 1,2,3,4-Tetrahydrobenzo[h][1,6]naphthyridines as a new family of potent peripheral-to-midgorge-site inhibitors of acetylcholinesterase: synthesis, pharmacological evaluation and mechanistic studies. Eur J Med Chem, Volume 73, 2014";ChEMBL
Progesterone;MM00198;CC(=O)C1CCC2C3CCC4=CC(=O)CCC4(C)C3CCC12C;RJKFOVLPORLFTN-UHFFFAOYSA-N;314.47;4.72;5994;DB00396;STR;CHEMBL103;BBB;EPAM;25;0;"<a href=https://www.ebi.ac.uk/chembl/assay_report_card/CHEMBL3372306/  target=_blank>CHEMBL3372306</a>";;;;;;;;;-4.75;;;;;;;;;;;;"Huang L, Miao H, Sun Y, Meng F, Li X.: Discovery of indanone derivatives as multi-target-directed ligands against Alzheimer's disease. Eur J Med Chem, Volume 87, 2014";ChEMBL
Progesterone;MM00198;CC(=O)C1CCC2C3CCC4=CC(=O)CCC4(C)C3CCC12C;RJKFOVLPORLFTN-UHFFFAOYSA-N;314.47;4.72;5994;DB00396;STR;CHEMBL103;BBB;EPAM;25;0;"<a href=https://www.ebi.ac.uk/chembl/assay_report_card/CHEMBL3875283/  target=_blank>CHEMBL3875283</a>";;;;;;;;;-3.8;;;;;;;;;;;;"Więckowska A, Kołaczkowski M, Bucki A, Godyń J, Marcinkowska M, Więckowski K, Zaręba P, Siwek A, Kazek G, Głuch-Lutwin M, Mierzejewski P, Bienkowski P, Sienkiewicz-Jarosz H, Knez D, Wichur T, Gobec S, Malawska B.: Novel multi-target-directed ligands for Alzheimer's disease: Combining cholinesterase inhibitors and 5-HT<sub>6</sub> receptor antagonists. Design, synthesis and biological evaluation. Eur J Med Chem, Volume 124, 2016";ChEMBL
Progesterone;MM00198;CC(=O)C1CCC2C3CCC4=CC(=O)CCC4(C)C3CCC12C;RJKFOVLPORLFTN-UHFFFAOYSA-N;314.47;4.72;5994;DB00396;STR;CHEMBL103;BBB;EPAM;25;0;"<a href=https://www.ebi.ac.uk/chembl/assay_report_card/CHEMBL4193311/  target=_blank>CHEMBL4193311</a>";;;;;;;;;-5.22;;;;;;;;;;;;"Lan JS, Ding Y, Liu Y, Kang P, Hou JW, Zhang XY, Xie SS, Zhang T.: Design, synthesis and biological evaluation of novel coumarin-N-benzyl pyridinium hybrids as multi-target agents for the treatment of Alzheimer's disease. Eur J Med Chem, Volume 139, 2017";ChEMBL
Progesterone;MM00198;CC(=O)C1CCC2C3CCC4=CC(=O)CCC4(C)C3CCC12C;RJKFOVLPORLFTN-UHFFFAOYSA-N;314.47;4.72;5994;DB00396;STR;CHEMBL103;BBB;EPAM;25;0;"<a href=https://www.ebi.ac.uk/chembl/assay_report_card/CHEMBL4193312/  target=_blank>CHEMBL4193312</a>";;;;;;;;;-5.03;;;;;;;;;;;;"Lan JS, Ding Y, Liu Y, Kang P, Hou JW, Zhang XY, Xie SS, Zhang T.: Design, synthesis and biological evaluation of novel coumarin-N-benzyl pyridinium hybrids as multi-target agents for the treatment of Alzheimer's disease. Eur J Med Chem, Volume 139, 2017";ChEMBL
Progesterone;MM00198;CC(=O)C1CCC2C3CCC4=CC(=O)CCC4(C)C3CCC12C;RJKFOVLPORLFTN-UHFFFAOYSA-N;314.47;4.72;5994;DB00396;STR;CHEMBL103;BBB;EPAM;25;0;"<a href=https://www.ebi.ac.uk/chembl/assay_report_card/CHEMBL4193463/  target=_blank>CHEMBL4193463</a>";;;;;;;;;-5.06;;;;;;;;;;;;"Wang J, Cai P, Yang XL, Li F, Wu JJ, Kong LY, Wang XB.: Novel cinnamamide-dibenzylamine hybrids: Potent neurogenic agents with antioxidant, cholinergic, and neuroprotective properties as innovative drugs for Alzheimer's disease. Eur J Med Chem, Volume 139, 2017";ChEMBL
Progesterone;MM00198;CC(=O)C1CCC2C3CCC4=CC(=O)CCC4(C)C3CCC12C;RJKFOVLPORLFTN-UHFFFAOYSA-N;314.47;4.72;5994;DB00396;STR;CHEMBL103;BBB;EPAM;25;0;"<a href=https://www.ebi.ac.uk/chembl/assay_report_card/CHEMBL4142614/  target=_blank>CHEMBL4142614</a>";;;;;;;;;-5;;;;;;;;;;;;"Xu YX, Wang H, Li XK, Dong SN, Liu WW, Gong Q, Wang TD, Tang Y, Zhu J, Li J, Zhang HY, Mao F.: Discovery of novel propargylamine-modified 4-aminoalkyl imidazole substituted pyrimidinylthiourea derivatives as multifunctional agents for the treatment of Alzheimer's disease. Eur J Med Chem, Volume 143, 2018";ChEMBL
Progesterone;MM00198;CC(=O)C1CCC2C3CCC4=CC(=O)CCC4(C)C3CCC12C;RJKFOVLPORLFTN-UHFFFAOYSA-N;314.47;4.72;5994;DB00396;STR;CHEMBL103;BBB;EPAM;25;0;"<a href=https://www.ebi.ac.uk/chembl/assay_report_card/CHEMBL4153238/  target=_blank>CHEMBL4153238</a>";;;;;;;;;-4.44;;;;;;;;;;;;"Kwak SH, Shin S, Lee JH, Shim JK, Kim M, Lee SD, Lee A, Bae J, Park JH, Abdelrahman A, Müller CE, Cho SK, Kang SG, Bae MA, Yang JY, Ko H, Goddard WA, Kim YC.: Synthesis and structure-activity relationships of quinolinone and quinoline-based P2X7 receptor antagonists and their anti-sphere formation activities in glioblastoma cells. Eur J Med Chem, Volume 151, 2018";ChEMBL
Progesterone;MM00198;CC(=O)C1CCC2C3CCC4=CC(=O)CCC4(C)C3CCC12C;RJKFOVLPORLFTN-UHFFFAOYSA-N;314.47;4.72;5994;DB00396;STR;CHEMBL103;BBB;EPAM;25;0;"<a href=https://www.ebi.ac.uk/chembl/assay_report_card/CHEMBL4307308/  target=_blank>CHEMBL4307308</a>";;;;;;;;;-4.77;;;;;;;;;;;;"Pérez-Areales FJ, Turcu AL, Barniol-Xicota M, Pont C, Pivetta D, Espargaró A, Bartolini M, De Simone A, Andrisano V, Pérez B, Sabate R, Sureda FX, Vázquez S, Muñoz-Torrero D.: A novel class of multitarget anti-Alzheimer benzohomoadamantane‒chlorotacrine hybrids modulating cholinesterases and glutamate NMDA receptors. Eur J Med Chem, Volume 180, 2019";ChEMBL
Progesterone;MM00198;CC(=O)C1CCC2C3CCC4=CC(=O)CCC4(C)C3CCC12C;RJKFOVLPORLFTN-UHFFFAOYSA-N;314.47;4.72;5994;DB00396;STR;CHEMBL103;BBB;EPAM;25;0;"<a href=https://www.ebi.ac.uk/chembl/assay_report_card/CHEMBL4307309/  target=_blank>CHEMBL4307309</a>";;;;;;;;;-5.03;;;;;;;;;;;;"Pérez-Areales FJ, Turcu AL, Barniol-Xicota M, Pont C, Pivetta D, Espargaró A, Bartolini M, De Simone A, Andrisano V, Pérez B, Sabate R, Sureda FX, Vázquez S, Muñoz-Torrero D.: A novel class of multitarget anti-Alzheimer benzohomoadamantane‒chlorotacrine hybrids modulating cholinesterases and glutamate NMDA receptors. Eur J Med Chem, Volume 180, 2019";ChEMBL
Progesterone;MM00198;CC(=O)C1CCC2C3CCC4=CC(=O)CCC4(C)C3CCC12C;RJKFOVLPORLFTN-UHFFFAOYSA-N;314.47;4.72;5994;DB00396;STR;CHEMBL103;BBB;EPAM;25;0;"<a href=https://www.ebi.ac.uk/chembl/assay_report_card/CHEMBL1052382/  target=_blank>CHEMBL1052382</a>";;;;;;;;;-5.03;;;;;;;;;;;;"Camps P, Formosa X, Galdeano C, Muñoz-Torrero D, Ramírez L, Gómez E, Isambert N, Lavilla R, Badia A, Clos MV, Bartolini M, Mancini F, Andrisano V, Arce MP, Rodríguez-Franco MI, Huertas O, Dafni T, Luque FJ.: Pyrano[3,2-c]quinoline-6-chlorotacrine hybrids as a novel family of acetylcholinesterase- and beta-amyloid-directed anti-Alzheimer compounds. J Med Chem, Volume 52 (17), 2009";ChEMBL
Progesterone;MM00198;CC(=O)C1CCC2C3CCC4=CC(=O)CCC4(C)C3CCC12C;RJKFOVLPORLFTN-UHFFFAOYSA-N;314.47;4.72;5994;DB00396;STR;CHEMBL103;BBB;EPAM;25;0;"<a href=https://www.ebi.ac.uk/chembl/assay_report_card/CHEMBL1052383/  target=_blank>CHEMBL1052383</a>";;;;;;;;;-4.58;;;;;;;;;;;;"Camps P, Formosa X, Galdeano C, Muñoz-Torrero D, Ramírez L, Gómez E, Isambert N, Lavilla R, Badia A, Clos MV, Bartolini M, Mancini F, Andrisano V, Arce MP, Rodríguez-Franco MI, Huertas O, Dafni T, Luque FJ.: Pyrano[3,2-c]quinoline-6-chlorotacrine hybrids as a novel family of acetylcholinesterase- and beta-amyloid-directed anti-Alzheimer compounds. J Med Chem, Volume 52 (17), 2009";ChEMBL
Progesterone;MM00198;CC(=O)C1CCC2C3CCC4=CC(=O)CCC4(C)C3CCC12C;RJKFOVLPORLFTN-UHFFFAOYSA-N;314.47;4.72;5994;DB00396;STR;CHEMBL103;BBB;EPAM;25;0;"<a href=https://www.ebi.ac.uk/chembl/assay_report_card/CHEMBL3821787/  target=_blank>CHEMBL3821787</a>";;;;;;;;;-5.23;;;;;;;;;;;;10.1039/C6MD00053C;ChEMBL
Progesterone;MM00198;CC(=O)C1CCC2C3CCC4=CC(=O)CCC4(C)C3CCC12C;RJKFOVLPORLFTN-UHFFFAOYSA-N;314.47;4.72;5994;DB00396;STR;CHEMBL103;BBB;EPAM;25;0;"<a href=https://www.ebi.ac.uk/chembl/assay_report_card/CHEMBL3821788/  target=_blank>CHEMBL3821788</a>";;;;;;;;;-5.03;;;;;;;;;;;;10.1039/C6MD00053C;ChEMBL
Imipramine;MM00504;CN(C)CCCN1c2ccccc2CCc2ccccc21;BCGWQEUPMDMJNV-UHFFFAOYSA-N;280.42;3.88;3696;DB00458;IXX;CHEMBL11;BBB;EPAM;25;0;"<a href=https://www.ebi.ac.uk/chembl/assay_report_card/CHEMBL3366747/  target=_blank>CHEMBL3366747</a>";;;;;;;;;-4.91;;;;;;;;;;;;"Pérez-Areales FJ, Di Pietro O, Espargaró A, Vallverdú-Queralt A, Galdeano C, Ragusa IM, Viayna E, Guillou C, Clos MV, Pérez B, Sabaté R, Lamuela-Raventós RM, Luque FJ, Muñoz-Torrero D.: Shogaol-huprine hybrids: dual antioxidant and anticholinesterase agents with β-amyloid and tau anti-aggregating properties. Bioorg Med Chem, Volume 22 (19), 2014";ChEMBL
Imipramine;MM00504;CN(C)CCCN1c2ccccc2CCc2ccccc21;BCGWQEUPMDMJNV-UHFFFAOYSA-N;280.42;3.88;3696;DB00458;IXX;CHEMBL11;BBB;EPAM;25;0;"<a href=https://www.ebi.ac.uk/chembl/assay_report_card/CHEMBL3787917/  target=_blank>CHEMBL3787917</a>";;;;;;;;;-5;;;;;;;;;;;;"Li Y, Qiang X, Luo L, Li Y, Xiao G, Tan Z, Deng Y.: Synthesis and evaluation of 4-hydroxyl aurone derivatives as multifunctional agents for the treatment of Alzheimer's disease. Bioorg Med Chem, Volume 24 (10), 2016";ChEMBL
Imipramine;MM00504;CN(C)CCCN1c2ccccc2CCc2ccccc21;BCGWQEUPMDMJNV-UHFFFAOYSA-N;280.42;3.88;3696;DB00458;IXX;CHEMBL11;BBB;EPAM;25;0;"<a href=https://www.ebi.ac.uk/chembl/assay_report_card/CHEMBL3787919/  target=_blank>CHEMBL3787919</a>";;;;;;;;;-4.89;;;;;;;;;;;;"Li Y, Qiang X, Luo L, Li Y, Xiao G, Tan Z, Deng Y.: Synthesis and evaluation of 4-hydroxyl aurone derivatives as multifunctional agents for the treatment of Alzheimer's disease. Bioorg Med Chem, Volume 24 (10), 2016";ChEMBL
Imipramine;MM00504;CN(C)CCCN1c2ccccc2CCc2ccccc21;BCGWQEUPMDMJNV-UHFFFAOYSA-N;280.42;3.88;3696;DB00458;IXX;CHEMBL11;BBB;EPAM;25;0;"<a href=https://www.ebi.ac.uk/chembl/assay_report_card/CHEMBL4035435/  target=_blank>CHEMBL4035435</a>";;;;;;;;;-5;;;;;;;;;;;;"Sang Z, Pan W, Wang K, Ma Q, Yu L, Liu W.: Design, synthesis and biological evaluation of 3,4-dihydro-2(1H)-quinoline-O-alkylamine derivatives as new multipotent cholinesterase/monoamine oxidase inhibitors for the treatment of Alzheimer's disease. Bioorg Med Chem, Volume 25 (12), 2017";ChEMBL
Imipramine;MM00504;CN(C)CCCN1c2ccccc2CCc2ccccc21;BCGWQEUPMDMJNV-UHFFFAOYSA-N;280.42;3.88;3696;DB00458;IXX;CHEMBL11;BBB;EPAM;25;0;"<a href=https://www.ebi.ac.uk/chembl/assay_report_card/CHEMBL4188381/  target=_blank>CHEMBL4188381</a>";;;;;;;;;-4.89;;;;;;;;;;;;"Cao Z, Yang J, Xu R, Song Q, Zhang X, Liu H, Qiang X, Li Y, Tan Z, Deng Y.: Design, synthesis and evaluation of 4'-OH-flurbiprofen-chalcone hybrids as potential multifunctional agents for Alzheimer's disease treatment. Bioorg Med Chem, Volume 26 (5), 2018";ChEMBL
Imipramine;MM00504;CN(C)CCCN1c2ccccc2CCc2ccccc21;BCGWQEUPMDMJNV-UHFFFAOYSA-N;280.42;3.88;3696;DB00458;IXX;CHEMBL11;BBB;EPAM;25;0;"<a href=https://www.ebi.ac.uk/chembl/assay_report_card/CHEMBL4188382/  target=_blank>CHEMBL4188382</a>";;;;;;;;;-4.95;;;;;;;;;;;;"Cao Z, Yang J, Xu R, Song Q, Zhang X, Liu H, Qiang X, Li Y, Tan Z, Deng Y.: Design, synthesis and evaluation of 4'-OH-flurbiprofen-chalcone hybrids as potential multifunctional agents for Alzheimer's disease treatment. Bioorg Med Chem, Volume 26 (5), 2018";ChEMBL
Imipramine;MM00504;CN(C)CCCN1c2ccccc2CCc2ccccc21;BCGWQEUPMDMJNV-UHFFFAOYSA-N;280.42;3.88;3696;DB00458;IXX;CHEMBL11;BBB;EPAM;25;0;"<a href=https://www.ebi.ac.uk/chembl/assay_report_card/CHEMBL4221603/  target=_blank>CHEMBL4221603</a>";;;;;;;;;-5;;;;;;;;;;;;"Xu R, Xiao G, Li Y, Liu H, Song Q, Zhang X, Yang Z, Zheng Y, Tan Z, Deng Y.: Multifunctional 5,6-dimethoxybenzo[d]isothiazol-3(2H)-one-N-alkylbenzylamine derivatives with acetylcholinesterase, monoamine oxidases and β-amyloid aggregation inhibitory activities as potential agents against Alzheimer's disease. Bioorg Med Chem, Volume 26 (8), 2018";ChEMBL
Imipramine;MM00504;CN(C)CCCN1c2ccccc2CCc2ccccc21;BCGWQEUPMDMJNV-UHFFFAOYSA-N;280.42;3.88;3696;DB00458;IXX;CHEMBL11;BBB;EPAM;25;0;"<a href=https://www.ebi.ac.uk/chembl/assay_report_card/CHEMBL4221605/  target=_blank>CHEMBL4221605</a>";;;;;;;;;-4.89;;;;;;;;;;;;"Xu R, Xiao G, Li Y, Liu H, Song Q, Zhang X, Yang Z, Zheng Y, Tan Z, Deng Y.: Multifunctional 5,6-dimethoxybenzo[d]isothiazol-3(2H)-one-N-alkylbenzylamine derivatives with acetylcholinesterase, monoamine oxidases and β-amyloid aggregation inhibitory activities as potential agents against Alzheimer's disease. Bioorg Med Chem, Volume 26 (8), 2018";ChEMBL
Imipramine;MM00504;CN(C)CCCN1c2ccccc2CCc2ccccc21;BCGWQEUPMDMJNV-UHFFFAOYSA-N;280.42;3.88;3696;DB00458;IXX;CHEMBL11;BBB;EPAM;25;0;"<a href=https://www.ebi.ac.uk/chembl/assay_report_card/CHEMBL4048094/  target=_blank>CHEMBL4048094</a>";;;;;;;;;-5;;;;;;;;;;;;"Sang Z, Wang K, Wang H, Yu L, Wang H, Ma Q, Ye M, Han X, Liu W.: Design, synthesis and biological evaluation of phthalimide-alkylamine derivatives as balanced multifunctional cholinesterase and monoamine oxidase-B inhibitors for the treatment of Alzheimer's disease. Bioorg Med Chem Lett, Volume 27 (22), 2017";ChEMBL
Imipramine;MM00504;CN(C)CCCN1c2ccccc2CCc2ccccc21;BCGWQEUPMDMJNV-UHFFFAOYSA-N;280.42;3.88;3696;DB00458;IXX;CHEMBL11;BBB;EPAM;25;0;"<a href=https://www.ebi.ac.uk/chembl/assay_report_card/CHEMBL4122775/  target=_blank>CHEMBL4122775</a>";;;;;;;;;-5;;;;;;;;;;;;"Wang T, Tang Y, Yang Y, An Q, Sang Z, Yang T, Liu P, Zhang T, Deng Y, Luo Y.: Discovery of novel anti-tuberculosis agents with pyrrolo[1,2-a]quinoxaline-based scaffold. Bioorg Med Chem Lett, Volume 28 (11), 2018";ChEMBL
Imipramine;MM00504;CN(C)CCCN1c2ccccc2CCc2ccccc21;BCGWQEUPMDMJNV-UHFFFAOYSA-N;280.42;3.88;3696;DB00458;IXX;CHEMBL11;BBB;EPAM;25;0;"<a href=https://www.ebi.ac.uk/chembl/assay_report_card/CHEMBL4122776/  target=_blank>CHEMBL4122776</a>";;;;;;;;;-4.89;;;;;;;;;;;;"Wang T, Tang Y, Yang Y, An Q, Sang Z, Yang T, Liu P, Zhang T, Deng Y, Luo Y.: Discovery of novel anti-tuberculosis agents with pyrrolo[1,2-a]quinoxaline-based scaffold. Bioorg Med Chem Lett, Volume 28 (11), 2018";ChEMBL
Imipramine;MM00504;CN(C)CCCN1c2ccccc2CCc2ccccc21;BCGWQEUPMDMJNV-UHFFFAOYSA-N;280.42;3.88;3696;DB00458;IXX;CHEMBL11;BBB;EPAM;25;0;"<a href=https://www.ebi.ac.uk/chembl/assay_report_card/CHEMBL4354765/  target=_blank>CHEMBL4354765</a>";;;;;;;;;-5;;;;;;;;;;;;"Zhu G, Wang K, Shi J, Zhang P, Yang D, Fan X, Zhang Z, Liu W, Sang Z.: The development of 2-acetylphenol-donepezil hybrids as multifunctional agents for the treatment of Alzheimer's disease. Bioorg Med Chem Lett, Volume 29 (19), 2019";ChEMBL
Imipramine;MM00504;CN(C)CCCN1c2ccccc2CCc2ccccc21;BCGWQEUPMDMJNV-UHFFFAOYSA-N;280.42;3.88;3696;DB00458;IXX;CHEMBL11;BBB;EPAM;25;0;"<a href=https://www.ebi.ac.uk/chembl/assay_report_card/CHEMBL4354771/  target=_blank>CHEMBL4354771</a>";;;;;;;;;-4.89;;;;;;;;;;;;"Zhu G, Wang K, Shi J, Zhang P, Yang D, Fan X, Zhang Z, Liu W, Sang Z.: The development of 2-acetylphenol-donepezil hybrids as multifunctional agents for the treatment of Alzheimer's disease. Bioorg Med Chem Lett, Volume 29 (19), 2019";ChEMBL
Imipramine;MM00504;CN(C)CCCN1c2ccccc2CCc2ccccc21;BCGWQEUPMDMJNV-UHFFFAOYSA-N;280.42;3.88;3696;DB00458;IXX;CHEMBL11;BBB;EPAM;25;0;"<a href=https://www.ebi.ac.uk/chembl/assay_report_card/CHEMBL3123849/  target=_blank>CHEMBL3123849</a>";;;;;;;;;-4.91;;;;;;;;;;;;"Di Pietro O, Viayna E, Vicente-García E, Bartolini M, Ramón R, Juárez-Jiménez J, Clos MV, Pérez B, Andrisano V, Luque FJ, Lavilla R, Muñoz-Torrero D.: 1,2,3,4-Tetrahydrobenzo[h][1,6]naphthyridines as a new family of potent peripheral-to-midgorge-site inhibitors of acetylcholinesterase: synthesis, pharmacological evaluation and mechanistic studies. Eur J Med Chem, Volume 73, 2014";ChEMBL
Imipramine;MM00504;CN(C)CCCN1c2ccccc2CCc2ccccc21;BCGWQEUPMDMJNV-UHFFFAOYSA-N;280.42;3.88;3696;DB00458;IXX;CHEMBL11;BBB;EPAM;25;0;"<a href=https://www.ebi.ac.uk/chembl/assay_report_card/CHEMBL4011777/  target=_blank>CHEMBL4011777</a>";;;;;;;;;-5;;;;;;;;;;;;"Sang Z, Pan W, Wang K, Ma Q, Yu L, Yang Y, Bai P, Leng C, Xu Q, Li X, Tan Z, Liu W.: Design, synthesis and evaluation of novel ferulic acid-O-alkylamine derivatives as potential multifunctional agents for the treatment of Alzheimer's disease. Eur J Med Chem, Volume 130, 2017";ChEMBL
Imipramine;MM00504;CN(C)CCCN1c2ccccc2CCc2ccccc21;BCGWQEUPMDMJNV-UHFFFAOYSA-N;280.42;3.88;3696;DB00458;IXX;CHEMBL11;BBB;EPAM;25;0;"<a href=https://www.ebi.ac.uk/chembl/assay_report_card/CHEMBL4268507/  target=_blank>CHEMBL4268507</a>";;;;;;;;;-4.91;;;;;;;;;;;;"Reis J, Cagide F, Valencia ME, Teixeira J, Bagetta D, Pérez C, Uriarte E, Oliveira PJ, Ortuso F, Alcaro S, Rodríguez-Franco MI, Borges F.: Multi-target-directed ligands for Alzheimer's disease: Discovery of chromone-based monoamine oxidase/cholinesterase inhibitors. Eur J Med Chem, Volume 158, 2018";ChEMBL
Imipramine;MM00504;CN(C)CCCN1c2ccccc2CCc2ccccc21;BCGWQEUPMDMJNV-UHFFFAOYSA-N;280.42;3.88;3696;DB00458;IXX;CHEMBL11;BBB;EPAM;25;0;"<a href=https://www.ebi.ac.uk/chembl/assay_report_card/CHEMBL4268508/  target=_blank>CHEMBL4268508</a>";;;;;;;;;-4.89;;;;;;;;;;;;"Reis J, Cagide F, Valencia ME, Teixeira J, Bagetta D, Pérez C, Uriarte E, Oliveira PJ, Ortuso F, Alcaro S, Rodríguez-Franco MI, Borges F.: Multi-target-directed ligands for Alzheimer's disease: Discovery of chromone-based monoamine oxidase/cholinesterase inhibitors. Eur J Med Chem, Volume 158, 2018";ChEMBL
Imipramine;MM00504;CN(C)CCCN1c2ccccc2CCc2ccccc21;BCGWQEUPMDMJNV-UHFFFAOYSA-N;280.42;3.88;3696;DB00458;IXX;CHEMBL11;BBB;EPAM;25;0;"<a href=https://www.ebi.ac.uk/chembl/assay_report_card/CHEMBL4307308/  target=_blank>CHEMBL4307308</a>";;;;;;;;;-4.91;;;;;;;;;;;;"Pérez-Areales FJ, Turcu AL, Barniol-Xicota M, Pont C, Pivetta D, Espargaró A, Bartolini M, De Simone A, Andrisano V, Pérez B, Sabate R, Sureda FX, Vázquez S, Muñoz-Torrero D.: A novel class of multitarget anti-Alzheimer benzohomoadamantane‒chlorotacrine hybrids modulating cholinesterases and glutamate NMDA receptors. Eur J Med Chem, Volume 180, 2019";ChEMBL
Imipramine;MM00504;CN(C)CCCN1c2ccccc2CCc2ccccc21;BCGWQEUPMDMJNV-UHFFFAOYSA-N;280.42;3.88;3696;DB00458;IXX;CHEMBL11;BBB;EPAM;25;0;"<a href=https://www.ebi.ac.uk/chembl/assay_report_card/CHEMBL4307309/  target=_blank>CHEMBL4307309</a>";;;;;;;;;-4.89;;;;;;;;;;;;"Pérez-Areales FJ, Turcu AL, Barniol-Xicota M, Pont C, Pivetta D, Espargaró A, Bartolini M, De Simone A, Andrisano V, Pérez B, Sabate R, Sureda FX, Vázquez S, Muñoz-Torrero D.: A novel class of multitarget anti-Alzheimer benzohomoadamantane‒chlorotacrine hybrids modulating cholinesterases and glutamate NMDA receptors. Eur J Med Chem, Volume 180, 2019";ChEMBL
Imipramine;MM00504;CN(C)CCCN1c2ccccc2CCc2ccccc21;BCGWQEUPMDMJNV-UHFFFAOYSA-N;280.42;3.88;3696;DB00458;IXX;CHEMBL11;BBB;EPAM;25;0;"<a href=https://www.ebi.ac.uk/chembl/assay_report_card/CHEMBL4314243/  target=_blank>CHEMBL4314243</a>";;;;;;;;;-5;;;;;;;;;;;;"Bai P, Wang K, Zhang P, Shi J, Cheng X, Zhang Q, Zheng C, Cheng Y, Yang J, Lu X, Sang Z.: Development of chalcone-O-alkylamine derivatives as multifunctional agents against Alzheimer's disease. Eur J Med Chem, Volume 183, 2019";ChEMBL
Imipramine;MM00504;CN(C)CCCN1c2ccccc2CCc2ccccc21;BCGWQEUPMDMJNV-UHFFFAOYSA-N;280.42;3.88;3696;DB00458;IXX;CHEMBL11;BBB;EPAM;25;0;"<a href=https://www.ebi.ac.uk/chembl/assay_report_card/CHEMBL4314272/  target=_blank>CHEMBL4314272</a>";;;;;;;;;-4.89;;;;;;;;;;;;"Bai P, Wang K, Zhang P, Shi J, Cheng X, Zhang Q, Zheng C, Cheng Y, Yang J, Lu X, Sang Z.: Development of chalcone-O-alkylamine derivatives as multifunctional agents against Alzheimer's disease. Eur J Med Chem, Volume 183, 2019";ChEMBL
Imipramine;MM00504;CN(C)CCCN1c2ccccc2CCc2ccccc21;BCGWQEUPMDMJNV-UHFFFAOYSA-N;280.42;3.88;3696;DB00458;IXX;CHEMBL11;BBB;EPAM;25;0;"<a href=https://www.ebi.ac.uk/chembl/assay_report_card/CHEMBL1052382/  target=_blank>CHEMBL1052382</a>";;;;;;;;;-4.89;;;;;;;;;;;;"Camps P, Formosa X, Galdeano C, Muñoz-Torrero D, Ramírez L, Gómez E, Isambert N, Lavilla R, Badia A, Clos MV, Bartolini M, Mancini F, Andrisano V, Arce MP, Rodríguez-Franco MI, Huertas O, Dafni T, Luque FJ.: Pyrano[3,2-c]quinoline-6-chlorotacrine hybrids as a novel family of acetylcholinesterase- and beta-amyloid-directed anti-Alzheimer compounds. J Med Chem, Volume 52 (17), 2009";ChEMBL
Imipramine;MM00504;CN(C)CCCN1c2ccccc2CCc2ccccc21;BCGWQEUPMDMJNV-UHFFFAOYSA-N;280.42;3.88;3696;DB00458;IXX;CHEMBL11;BBB;EPAM;25;0;"<a href=https://www.ebi.ac.uk/chembl/assay_report_card/CHEMBL1052383/  target=_blank>CHEMBL1052383</a>";;;;;;;;;-4.65;;;;;;;;;;;;"Camps P, Formosa X, Galdeano C, Muñoz-Torrero D, Ramírez L, Gómez E, Isambert N, Lavilla R, Badia A, Clos MV, Bartolini M, Mancini F, Andrisano V, Arce MP, Rodríguez-Franco MI, Huertas O, Dafni T, Luque FJ.: Pyrano[3,2-c]quinoline-6-chlorotacrine hybrids as a novel family of acetylcholinesterase- and beta-amyloid-directed anti-Alzheimer compounds. J Med Chem, Volume 52 (17), 2009";ChEMBL
Imipramine;MM00504;CN(C)CCCN1c2ccccc2CCc2ccccc21;BCGWQEUPMDMJNV-UHFFFAOYSA-N;280.42;3.88;3696;DB00458;IXX;CHEMBL11;BBB;EPAM;25;0;"<a href=https://www.ebi.ac.uk/chembl/assay_report_card/CHEMBL1052384/  target=_blank>CHEMBL1052384</a>";;;;;;;;;-4.72;;;;;;;;;;;;"Camps P, Formosa X, Galdeano C, Muñoz-Torrero D, Ramírez L, Gómez E, Isambert N, Lavilla R, Badia A, Clos MV, Bartolini M, Mancini F, Andrisano V, Arce MP, Rodríguez-Franco MI, Huertas O, Dafni T, Luque FJ.: Pyrano[3,2-c]quinoline-6-chlorotacrine hybrids as a novel family of acetylcholinesterase- and beta-amyloid-directed anti-Alzheimer compounds. J Med Chem, Volume 52 (17), 2009";ChEMBL
Corticosterone;MM00346;CC12CCC(=O)C=C1CCC1C2C(O)CC2(C)C(C(=O)CO)CCC12;OMFXVFTZEKFJBZ-UHFFFAOYSA-N;346.47;2.67;5753;DB04652;C0R;CHEMBL110739;BBB;EPAM;25;0;"<a href=https://www.ebi.ac.uk/chembl/assay_report_card/CHEMBL3366747/  target=_blank>CHEMBL3366747</a>";;;;;;;;;-5.17;;;;;;;;;;;;"Pérez-Areales FJ, Di Pietro O, Espargaró A, Vallverdú-Queralt A, Galdeano C, Ragusa IM, Viayna E, Guillou C, Clos MV, Pérez B, Sabaté R, Lamuela-Raventós RM, Luque FJ, Muñoz-Torrero D.: Shogaol-huprine hybrids: dual antioxidant and anticholinesterase agents with β-amyloid and tau anti-aggregating properties. Bioorg Med Chem, Volume 22 (19), 2014";ChEMBL
Corticosterone;MM00346;CC12CCC(=O)C=C1CCC1C2C(O)CC2(C)C(C(=O)CO)CCC12;OMFXVFTZEKFJBZ-UHFFFAOYSA-N;346.47;2.67;5753;DB04652;C0R;CHEMBL110739;BBB;EPAM;25;0;"<a href=https://www.ebi.ac.uk/chembl/assay_report_card/CHEMBL3404446/  target=_blank>CHEMBL3404446</a>";;;;;;;;;-5.4;;;;;;;;;;;;"Guzior N, Bajda M, Rakoczy J, Brus B, Gobec S, Malawska B.: Isoindoline-1,3-dione derivatives targeting cholinesterases: design, synthesis and biological evaluation of potential anti-Alzheimer's agents. Bioorg Med Chem, Volume 23 (7), 2015";ChEMBL
Corticosterone;MM00346;CC12CCC(=O)C=C1CCC1C2C(O)CC2(C)C(C(=O)CO)CCC12;OMFXVFTZEKFJBZ-UHFFFAOYSA-N;346.47;2.67;5753;DB04652;C0R;CHEMBL110739;BBB;EPAM;25;0;"<a href=https://www.ebi.ac.uk/chembl/assay_report_card/CHEMBL3406583/  target=_blank>CHEMBL3406583</a>";;;;;;;;;-5.4;;;;;;;;;;;;"Więckowska A, Więckowski K, Bajda M, Brus B, Sałat K, Czerwińska P, Gobec S, Filipek B, Malawska B.: Synthesis of new N-benzylpiperidine derivatives as cholinesterase inhibitors with β-amyloid anti-aggregation properties and beneficial effects on memory in vivo. Bioorg Med Chem, Volume 23 (10), 2015";ChEMBL
Corticosterone;MM00346;CC12CCC(=O)C=C1CCC1C2C(O)CC2(C)C(C(=O)CO)CCC12;OMFXVFTZEKFJBZ-UHFFFAOYSA-N;346.47;2.67;5753;DB04652;C0R;CHEMBL110739;BBB;EPAM;25;0;"<a href=https://www.ebi.ac.uk/chembl/assay_report_card/CHEMBL3826717/  target=_blank>CHEMBL3826717</a>";;;;;;;;;-5.31;;;;;;;;;;;;"Wang J, Wang ZM, Li XM, Li F, Wu JJ, Kong LY, Wang XB.: Synthesis and evaluation of multi-target-directed ligands for the treatment of Alzheimer's disease based on the fusion of donepezil and melatonin. Bioorg Med Chem, Volume 24 (18), 2016";ChEMBL
Corticosterone;MM00346;CC12CCC(=O)C=C1CCC1C2C(O)CC2(C)C(C(=O)CO)CCC12;OMFXVFTZEKFJBZ-UHFFFAOYSA-N;346.47;2.67;5753;DB04652;C0R;CHEMBL110739;BBB;EPAM;25;0;"<a href=https://www.ebi.ac.uk/chembl/assay_report_card/CHEMBL3863409/  target=_blank>CHEMBL3863409</a>";;;;;;;;;-5.51;;;;;;;;;;;;"Wang Z, Wu J, Yang X, Cai P, Liu Q, Wang KDG, Kong L, Wang X.: Neuroprotective effects of benzyloxy substituted small molecule monoamine oxidase B inhibitors in Parkinson's disease. Bioorg Med Chem, Volume 24 (22), 2016";ChEMBL
Corticosterone;MM00346;CC12CCC(=O)C=C1CCC1C2C(O)CC2(C)C(C(=O)CO)CCC12;OMFXVFTZEKFJBZ-UHFFFAOYSA-N;346.47;2.67;5753;DB04652;C0R;CHEMBL110739;BBB;EPAM;25;0;"<a href=https://www.ebi.ac.uk/chembl/assay_report_card/CHEMBL3863410/  target=_blank>CHEMBL3863410</a>";;;;;;;;;-5.29;;;;;;;;;;;;"Wang Z, Wu J, Yang X, Cai P, Liu Q, Wang KDG, Kong L, Wang X.: Neuroprotective effects of benzyloxy substituted small molecule monoamine oxidase B inhibitors in Parkinson's disease. Bioorg Med Chem, Volume 24 (22), 2016";ChEMBL
Corticosterone;MM00346;CC12CCC(=O)C=C1CCC1C2C(O)CC2(C)C(C(=O)CO)CCC12;OMFXVFTZEKFJBZ-UHFFFAOYSA-N;346.47;2.67;5753;DB04652;C0R;CHEMBL110739;BBB;EPAM;25;0;"<a href=https://www.ebi.ac.uk/chembl/assay_report_card/CHEMBL4055315/  target=_blank>CHEMBL4055315</a>";;;;;;;;;-5.21;;;;;;;;;;;;"Li F, Wu JJ, Wang J, Yang XL, Cai P, Liu QH, Kong LY, Wang XB.: Synthesis and pharmacological evaluation of novel chromone derivatives as balanced multifunctional agents against Alzheimer's disease. Bioorg Med Chem, Volume 25 (14), 2017";ChEMBL
Corticosterone;MM00346;CC12CCC(=O)C=C1CCC1C2C(O)CC2(C)C(C(=O)CO)CCC12;OMFXVFTZEKFJBZ-UHFFFAOYSA-N;346.47;2.67;5753;DB04652;C0R;CHEMBL110739;BBB;EPAM;25;0;"<a href=https://www.ebi.ac.uk/chembl/assay_report_card/CHEMBL4179547/  target=_blank>CHEMBL4179547</a>";;;;;;;;;-5.42;;;;;;;;;;;;"Yang HL, Cai P, Liu QH, Yang XL, Fang SQ, Tang YW, Wang C, Wang XB, Kong LY.: Design, synthesis, and evaluation of salicyladimine derivatives as multitarget-directed ligands against Alzheimer's disease. Bioorg Med Chem, Volume 25 (21), 2017";ChEMBL
Corticosterone;MM00346;CC12CCC(=O)C=C1CCC1C2C(O)CC2(C)C(C(=O)CO)CCC12;OMFXVFTZEKFJBZ-UHFFFAOYSA-N;346.47;2.67;5753;DB04652;C0R;CHEMBL110739;BBB;EPAM;25;0;"<a href=https://www.ebi.ac.uk/chembl/assay_report_card/CHEMBL3123849/  target=_blank>CHEMBL3123849</a>";;;;;;;;;-5.29;;;;;;;;;;;;"Di Pietro O, Viayna E, Vicente-García E, Bartolini M, Ramón R, Juárez-Jiménez J, Clos MV, Pérez B, Andrisano V, Luque FJ, Lavilla R, Muñoz-Torrero D.: 1,2,3,4-Tetrahydrobenzo[h][1,6]naphthyridines as a new family of potent peripheral-to-midgorge-site inhibitors of acetylcholinesterase: synthesis, pharmacological evaluation and mechanistic studies. Eur J Med Chem, Volume 73, 2014";ChEMBL
Corticosterone;MM00346;CC12CCC(=O)C=C1CCC1C2C(O)CC2(C)C(C(=O)CO)CCC12;OMFXVFTZEKFJBZ-UHFFFAOYSA-N;346.47;2.67;5753;DB04652;C0R;CHEMBL110739;BBB;EPAM;25;0;"<a href=https://www.ebi.ac.uk/chembl/assay_report_card/CHEMBL3875283/  target=_blank>CHEMBL3875283</a>";;;;;;;;;-4.5;;;;;;;;;;;;"Więckowska A, Kołaczkowski M, Bucki A, Godyń J, Marcinkowska M, Więckowski K, Zaręba P, Siwek A, Kazek G, Głuch-Lutwin M, Mierzejewski P, Bienkowski P, Sienkiewicz-Jarosz H, Knez D, Wichur T, Gobec S, Malawska B.: Novel multi-target-directed ligands for Alzheimer's disease: Combining cholinesterase inhibitors and 5-HT<sub>6</sub> receptor antagonists. Design, synthesis and biological evaluation. Eur J Med Chem, Volume 124, 2016";ChEMBL
Corticosterone;MM00346;CC12CCC(=O)C=C1CCC1C2C(O)CC2(C)C(C(=O)CO)CCC12;OMFXVFTZEKFJBZ-UHFFFAOYSA-N;346.47;2.67;5753;DB04652;C0R;CHEMBL110739;BBB;EPAM;25;0;"<a href=https://www.ebi.ac.uk/chembl/assay_report_card/CHEMBL4034191/  target=_blank>CHEMBL4034191</a>";;;;;;;;;-5.2;;;;;;;;;;;;"Lan JS, Zhang T, Liu Y, Yang J, Xie SS, Liu J, Miao ZY, Ding Y.: Design, synthesis and biological activity of novel donepezil derivatives bearing N-benzyl pyridinium moiety as potent and dual binding site acetylcholinesterase inhibitors. Eur J Med Chem, Volume 133, 2017";ChEMBL
Corticosterone;MM00346;CC12CCC(=O)C=C1CCC1C2C(O)CC2(C)C(C(=O)CO)CCC12;OMFXVFTZEKFJBZ-UHFFFAOYSA-N;346.47;2.67;5753;DB04652;C0R;CHEMBL110739;BBB;EPAM;25;0;"<a href=https://www.ebi.ac.uk/chembl/assay_report_card/CHEMBL4034201/  target=_blank>CHEMBL4034201</a>";;;;;;;;;-5.29;;;;;;;;;;;;"Lan JS, Zhang T, Liu Y, Yang J, Xie SS, Liu J, Miao ZY, Ding Y.: Design, synthesis and biological activity of novel donepezil derivatives bearing N-benzyl pyridinium moiety as potent and dual binding site acetylcholinesterase inhibitors. Eur J Med Chem, Volume 133, 2017";ChEMBL
Corticosterone;MM00346;CC12CCC(=O)C=C1CCC1C2C(O)CC2(C)C(C(=O)CO)CCC12;OMFXVFTZEKFJBZ-UHFFFAOYSA-N;346.47;2.67;5753;DB04652;C0R;CHEMBL110739;BBB;EPAM;25;0;"<a href=https://www.ebi.ac.uk/chembl/assay_report_card/CHEMBL4193311/  target=_blank>CHEMBL4193311</a>";;;;;;;;;-5.48;;;;;;;;;;;;"Lan JS, Ding Y, Liu Y, Kang P, Hou JW, Zhang XY, Xie SS, Zhang T.: Design, synthesis and biological evaluation of novel coumarin-N-benzyl pyridinium hybrids as multi-target agents for the treatment of Alzheimer's disease. Eur J Med Chem, Volume 139, 2017";ChEMBL
Corticosterone;MM00346;CC12CCC(=O)C=C1CCC1C2C(O)CC2(C)C(C(=O)CO)CCC12;OMFXVFTZEKFJBZ-UHFFFAOYSA-N;346.47;2.67;5753;DB04652;C0R;CHEMBL110739;BBB;EPAM;25;0;"<a href=https://www.ebi.ac.uk/chembl/assay_report_card/CHEMBL4193312/  target=_blank>CHEMBL4193312</a>";;;;;;;;;-5.29;;;;;;;;;;;;"Lan JS, Ding Y, Liu Y, Kang P, Hou JW, Zhang XY, Xie SS, Zhang T.: Design, synthesis and biological evaluation of novel coumarin-N-benzyl pyridinium hybrids as multi-target agents for the treatment of Alzheimer's disease. Eur J Med Chem, Volume 139, 2017";ChEMBL
Corticosterone;MM00346;CC12CCC(=O)C=C1CCC1C2C(O)CC2(C)C(C(=O)CO)CCC12;OMFXVFTZEKFJBZ-UHFFFAOYSA-N;346.47;2.67;5753;DB04652;C0R;CHEMBL110739;BBB;EPAM;25;0;"<a href=https://www.ebi.ac.uk/chembl/assay_report_card/CHEMBL4193463/  target=_blank>CHEMBL4193463</a>";;;;;;;;;-5.1;;;;;;;;;;;;"Wang J, Cai P, Yang XL, Li F, Wu JJ, Kong LY, Wang XB.: Novel cinnamamide-dibenzylamine hybrids: Potent neurogenic agents with antioxidant, cholinergic, and neuroprotective properties as innovative drugs for Alzheimer's disease. Eur J Med Chem, Volume 139, 2017";ChEMBL
Corticosterone;MM00346;CC12CCC(=O)C=C1CCC1C2C(O)CC2(C)C(C(=O)CO)CCC12;OMFXVFTZEKFJBZ-UHFFFAOYSA-N;346.47;2.67;5753;DB04652;C0R;CHEMBL110739;BBB;EPAM;25;0;"<a href=https://www.ebi.ac.uk/chembl/assay_report_card/CHEMBL4142614/  target=_blank>CHEMBL4142614</a>";;;;;;;;;-5.55;;;;;;;;;;;;"Xu YX, Wang H, Li XK, Dong SN, Liu WW, Gong Q, Wang TD, Tang Y, Zhu J, Li J, Zhang HY, Mao F.: Discovery of novel propargylamine-modified 4-aminoalkyl imidazole substituted pyrimidinylthiourea derivatives as multifunctional agents for the treatment of Alzheimer's disease. Eur J Med Chem, Volume 143, 2018";ChEMBL
Corticosterone;MM00346;CC12CCC(=O)C=C1CCC1C2C(O)CC2(C)C(C(=O)CO)CCC12;OMFXVFTZEKFJBZ-UHFFFAOYSA-N;346.47;2.67;5753;DB04652;C0R;CHEMBL110739;BBB;EPAM;25;0;"<a href=https://www.ebi.ac.uk/chembl/assay_report_card/CHEMBL4268507/  target=_blank>CHEMBL4268507</a>";;;;;;;;;-5.28;;;;;;;;;;;;"Reis J, Cagide F, Valencia ME, Teixeira J, Bagetta D, Pérez C, Uriarte E, Oliveira PJ, Ortuso F, Alcaro S, Rodríguez-Franco MI, Borges F.: Multi-target-directed ligands for Alzheimer's disease: Discovery of chromone-based monoamine oxidase/cholinesterase inhibitors. Eur J Med Chem, Volume 158, 2018";ChEMBL
Corticosterone;MM00346;CC12CCC(=O)C=C1CCC1C2C(O)CC2(C)C(C(=O)CO)CCC12;OMFXVFTZEKFJBZ-UHFFFAOYSA-N;346.47;2.67;5753;DB04652;C0R;CHEMBL110739;BBB;EPAM;25;0;"<a href=https://www.ebi.ac.uk/chembl/assay_report_card/CHEMBL4268508/  target=_blank>CHEMBL4268508</a>";;;;;;;;;-5.29;;;;;;;;;;;;"Reis J, Cagide F, Valencia ME, Teixeira J, Bagetta D, Pérez C, Uriarte E, Oliveira PJ, Ortuso F, Alcaro S, Rodríguez-Franco MI, Borges F.: Multi-target-directed ligands for Alzheimer's disease: Discovery of chromone-based monoamine oxidase/cholinesterase inhibitors. Eur J Med Chem, Volume 158, 2018";ChEMBL
Corticosterone;MM00346;CC12CCC(=O)C=C1CCC1C2C(O)CC2(C)C(C(=O)CO)CCC12;OMFXVFTZEKFJBZ-UHFFFAOYSA-N;346.47;2.67;5753;DB04652;C0R;CHEMBL110739;BBB;EPAM;25;0;"<a href=https://www.ebi.ac.uk/chembl/assay_report_card/CHEMBL4331636/  target=_blank>CHEMBL4331636</a>";;;;;;;;;-5.32;;;;;;;;;;;;"Tang YW, Shi CJ, Yang HL, Cai P, Liu QH, Yang XL, Kong LY, Wang XB.: Synthesis and evaluation of isoprenylation-resveratrol dimer derivatives against Alzheimer's disease. Eur J Med Chem, Volume 163, 2019";ChEMBL
Corticosterone;MM00346;CC12CCC(=O)C=C1CCC1C2C(O)CC2(C)C(C(=O)CO)CCC12;OMFXVFTZEKFJBZ-UHFFFAOYSA-N;346.47;2.67;5753;DB04652;C0R;CHEMBL110739;BBB;EPAM;25;0;"<a href=https://www.ebi.ac.uk/chembl/assay_report_card/CHEMBL4331637/  target=_blank>CHEMBL4331637</a>";;;;;;;;;-5.29;;;;;;;;;;;;"Tang YW, Shi CJ, Yang HL, Cai P, Liu QH, Yang XL, Kong LY, Wang XB.: Synthesis and evaluation of isoprenylation-resveratrol dimer derivatives against Alzheimer's disease. Eur J Med Chem, Volume 163, 2019";ChEMBL
Corticosterone;MM00346;CC12CCC(=O)C=C1CCC1C2C(O)CC2(C)C(C(=O)CO)CCC12;OMFXVFTZEKFJBZ-UHFFFAOYSA-N;346.47;2.67;5753;DB04652;C0R;CHEMBL110739;BBB;EPAM;25;0;"<a href=https://www.ebi.ac.uk/chembl/assay_report_card/CHEMBL4307308/  target=_blank>CHEMBL4307308</a>";;;;;;;;;-5.17;;;;;;;;;;;;"Pérez-Areales FJ, Turcu AL, Barniol-Xicota M, Pont C, Pivetta D, Espargaró A, Bartolini M, De Simone A, Andrisano V, Pérez B, Sabate R, Sureda FX, Vázquez S, Muñoz-Torrero D.: A novel class of multitarget anti-Alzheimer benzohomoadamantane‒chlorotacrine hybrids modulating cholinesterases and glutamate NMDA receptors. Eur J Med Chem, Volume 180, 2019";ChEMBL
Corticosterone;MM00346;CC12CCC(=O)C=C1CCC1C2C(O)CC2(C)C(C(=O)CO)CCC12;OMFXVFTZEKFJBZ-UHFFFAOYSA-N;346.47;2.67;5753;DB04652;C0R;CHEMBL110739;BBB;EPAM;25;0;"<a href=https://www.ebi.ac.uk/chembl/assay_report_card/CHEMBL4307309/  target=_blank>CHEMBL4307309</a>";;;;;;;;;-5.29;;;;;;;;;;;;"Pérez-Areales FJ, Turcu AL, Barniol-Xicota M, Pont C, Pivetta D, Espargaró A, Bartolini M, De Simone A, Andrisano V, Pérez B, Sabate R, Sureda FX, Vázquez S, Muñoz-Torrero D.: A novel class of multitarget anti-Alzheimer benzohomoadamantane‒chlorotacrine hybrids modulating cholinesterases and glutamate NMDA receptors. Eur J Med Chem, Volume 180, 2019";ChEMBL
Corticosterone;MM00346;CC12CCC(=O)C=C1CCC1C2C(O)CC2(C)C(C(=O)CO)CCC12;OMFXVFTZEKFJBZ-UHFFFAOYSA-N;346.47;2.67;5753;DB04652;C0R;CHEMBL110739;BBB;EPAM;25;0;"<a href=https://www.ebi.ac.uk/chembl/assay_report_card/CHEMBL1052382/  target=_blank>CHEMBL1052382</a>";;;;;;;;;-5.29;;;;;;;;;;;;"Camps P, Formosa X, Galdeano C, Muñoz-Torrero D, Ramírez L, Gómez E, Isambert N, Lavilla R, Badia A, Clos MV, Bartolini M, Mancini F, Andrisano V, Arce MP, Rodríguez-Franco MI, Huertas O, Dafni T, Luque FJ.: Pyrano[3,2-c]quinoline-6-chlorotacrine hybrids as a novel family of acetylcholinesterase- and beta-amyloid-directed anti-Alzheimer compounds. J Med Chem, Volume 52 (17), 2009";ChEMBL
Corticosterone;MM00346;CC12CCC(=O)C=C1CCC1C2C(O)CC2(C)C(C(=O)CO)CCC12;OMFXVFTZEKFJBZ-UHFFFAOYSA-N;346.47;2.67;5753;DB04652;C0R;CHEMBL110739;BBB;EPAM;25;0;"<a href=https://www.ebi.ac.uk/chembl/assay_report_card/CHEMBL1052383/  target=_blank>CHEMBL1052383</a>";;;;;;;;;-5.19;;;;;;;;;;;;"Camps P, Formosa X, Galdeano C, Muñoz-Torrero D, Ramírez L, Gómez E, Isambert N, Lavilla R, Badia A, Clos MV, Bartolini M, Mancini F, Andrisano V, Arce MP, Rodríguez-Franco MI, Huertas O, Dafni T, Luque FJ.: Pyrano[3,2-c]quinoline-6-chlorotacrine hybrids as a novel family of acetylcholinesterase- and beta-amyloid-directed anti-Alzheimer compounds. J Med Chem, Volume 52 (17), 2009";ChEMBL
Corticosterone;MM00346;CC12CCC(=O)C=C1CCC1C2C(O)CC2(C)C(C(=O)CO)CCC12;OMFXVFTZEKFJBZ-UHFFFAOYSA-N;346.47;2.67;5753;DB04652;C0R;CHEMBL110739;BBB;EPAM;25;0;"<a href=https://www.ebi.ac.uk/chembl/assay_report_card/CHEMBL1052384/  target=_blank>CHEMBL1052384</a>";;;;;;;;;-5.06;;;;;;;;;;;;"Camps P, Formosa X, Galdeano C, Muñoz-Torrero D, Ramírez L, Gómez E, Isambert N, Lavilla R, Badia A, Clos MV, Bartolini M, Mancini F, Andrisano V, Arce MP, Rodríguez-Franco MI, Huertas O, Dafni T, Luque FJ.: Pyrano[3,2-c]quinoline-6-chlorotacrine hybrids as a novel family of acetylcholinesterase- and beta-amyloid-directed anti-Alzheimer compounds. J Med Chem, Volume 52 (17), 2009";ChEMBL
Corticosterone;MM00346;CC12CCC(=O)C=C1CCC1C2C(O)CC2(C)C(C(=O)CO)CCC12;OMFXVFTZEKFJBZ-UHFFFAOYSA-N;346.47;2.67;5753;DB04652;C0R;CHEMBL110739;BBB;EPAM;25;0;"<a href=https://www.ebi.ac.uk/chembl/assay_report_card/CHEMBL3821787/  target=_blank>CHEMBL3821787</a>";;;;;;;;;-5.37;;;;;;;;;;;;10.1039/C6MD00053C;ChEMBL
Corticosterone;MM00346;CC12CCC(=O)C=C1CCC1C2C(O)CC2(C)C(C(=O)CO)CCC12;OMFXVFTZEKFJBZ-UHFFFAOYSA-N;346.47;2.67;5753;DB04652;C0R;CHEMBL110739;BBB;EPAM;25;0;"<a href=https://www.ebi.ac.uk/chembl/assay_report_card/CHEMBL3821788/  target=_blank>CHEMBL3821788</a>";;;;;;;;;-5.29;;;;;;;;;;;;10.1039/C6MD00053C;ChEMBL
Caffeine;MM00040;Cn1c(=O)c2c(ncn2C)n(C)c1=O;RYYVLZVUVIJVGH-UHFFFAOYSA-N;194.19;-1.03;2519;DB00201;CFF;CHEMBL113;BBB;EPAM;25;0;"<a href=https://www.ebi.ac.uk/chembl/assay_report_card/CHEMBL3787917/  target=_blank>CHEMBL3787917</a>";;;;;;;;;-5.89;;;;;;;;;;;;"Li Y, Qiang X, Luo L, Li Y, Xiao G, Tan Z, Deng Y.: Synthesis and evaluation of 4-hydroxyl aurone derivatives as multifunctional agents for the treatment of Alzheimer's disease. Bioorg Med Chem, Volume 24 (10), 2016";ChEMBL
Caffeine;MM00040;Cn1c(=O)c2c(ncn2C)n(C)c1=O;RYYVLZVUVIJVGH-UHFFFAOYSA-N;194.19;-1.03;2519;DB00201;CFF;CHEMBL113;BBB;EPAM;25;0;"<a href=https://www.ebi.ac.uk/chembl/assay_report_card/CHEMBL3787919/  target=_blank>CHEMBL3787919</a>";;;;;;;;;-5.89;;;;;;;;;;;;"Li Y, Qiang X, Luo L, Li Y, Xiao G, Tan Z, Deng Y.: Synthesis and evaluation of 4-hydroxyl aurone derivatives as multifunctional agents for the treatment of Alzheimer's disease. Bioorg Med Chem, Volume 24 (10), 2016";ChEMBL
Caffeine;MM00040;Cn1c(=O)c2c(ncn2C)n(C)c1=O;RYYVLZVUVIJVGH-UHFFFAOYSA-N;194.19;-1.03;2519;DB00201;CFF;CHEMBL113;BBB;EPAM;25;0;"<a href=https://www.ebi.ac.uk/chembl/assay_report_card/CHEMBL4035435/  target=_blank>CHEMBL4035435</a>";;;;;;;;;-5.89;;;;;;;;;;;;"Sang Z, Pan W, Wang K, Ma Q, Yu L, Liu W.: Design, synthesis and biological evaluation of 3,4-dihydro-2(1H)-quinoline-O-alkylamine derivatives as new multipotent cholinesterase/monoamine oxidase inhibitors for the treatment of Alzheimer's disease. Bioorg Med Chem, Volume 25 (12), 2017";ChEMBL
Caffeine;MM00040;Cn1c(=O)c2c(ncn2C)n(C)c1=O;RYYVLZVUVIJVGH-UHFFFAOYSA-N;194.19;-1.03;2519;DB00201;CFF;CHEMBL113;BBB;EPAM;25;0;"<a href=https://www.ebi.ac.uk/chembl/assay_report_card/CHEMBL4188381/  target=_blank>CHEMBL4188381</a>";;;;;;;;;-5.89;;;;;;;;;;;;"Cao Z, Yang J, Xu R, Song Q, Zhang X, Liu H, Qiang X, Li Y, Tan Z, Deng Y.: Design, synthesis and evaluation of 4'-OH-flurbiprofen-chalcone hybrids as potential multifunctional agents for Alzheimer's disease treatment. Bioorg Med Chem, Volume 26 (5), 2018";ChEMBL
Caffeine;MM00040;Cn1c(=O)c2c(ncn2C)n(C)c1=O;RYYVLZVUVIJVGH-UHFFFAOYSA-N;194.19;-1.03;2519;DB00201;CFF;CHEMBL113;BBB;EPAM;25;0;"<a href=https://www.ebi.ac.uk/chembl/assay_report_card/CHEMBL4188382/  target=_blank>CHEMBL4188382</a>";;;;;;;;;-5.91;;;;;;;;;;;;"Cao Z, Yang J, Xu R, Song Q, Zhang X, Liu H, Qiang X, Li Y, Tan Z, Deng Y.: Design, synthesis and evaluation of 4'-OH-flurbiprofen-chalcone hybrids as potential multifunctional agents for Alzheimer's disease treatment. Bioorg Med Chem, Volume 26 (5), 2018";ChEMBL
Caffeine;MM00040;Cn1c(=O)c2c(ncn2C)n(C)c1=O;RYYVLZVUVIJVGH-UHFFFAOYSA-N;194.19;-1.03;2519;DB00201;CFF;CHEMBL113;BBB;EPAM;25;0;"<a href=https://www.ebi.ac.uk/chembl/assay_report_card/CHEMBL4221603/  target=_blank>CHEMBL4221603</a>";;;;;;;;;-5.89;;;;;;;;;;;;"Xu R, Xiao G, Li Y, Liu H, Song Q, Zhang X, Yang Z, Zheng Y, Tan Z, Deng Y.: Multifunctional 5,6-dimethoxybenzo[d]isothiazol-3(2H)-one-N-alkylbenzylamine derivatives with acetylcholinesterase, monoamine oxidases and β-amyloid aggregation inhibitory activities as potential agents against Alzheimer's disease. Bioorg Med Chem, Volume 26 (8), 2018";ChEMBL
Caffeine;MM00040;Cn1c(=O)c2c(ncn2C)n(C)c1=O;RYYVLZVUVIJVGH-UHFFFAOYSA-N;194.19;-1.03;2519;DB00201;CFF;CHEMBL113;BBB;EPAM;25;0;"<a href=https://www.ebi.ac.uk/chembl/assay_report_card/CHEMBL4221605/  target=_blank>CHEMBL4221605</a>";;;;;;;;;-5.89;;;;;;;;;;;;"Xu R, Xiao G, Li Y, Liu H, Song Q, Zhang X, Yang Z, Zheng Y, Tan Z, Deng Y.: Multifunctional 5,6-dimethoxybenzo[d]isothiazol-3(2H)-one-N-alkylbenzylamine derivatives with acetylcholinesterase, monoamine oxidases and β-amyloid aggregation inhibitory activities as potential agents against Alzheimer's disease. Bioorg Med Chem, Volume 26 (8), 2018";ChEMBL
Caffeine;MM00040;Cn1c(=O)c2c(ncn2C)n(C)c1=O;RYYVLZVUVIJVGH-UHFFFAOYSA-N;194.19;-1.03;2519;DB00201;CFF;CHEMBL113;BBB;EPAM;25;0;"<a href=https://www.ebi.ac.uk/chembl/assay_report_card/CHEMBL4048094/  target=_blank>CHEMBL4048094</a>";;;;;;;;;-5.89;;;;;;;;;;;;"Sang Z, Wang K, Wang H, Yu L, Wang H, Ma Q, Ye M, Han X, Liu W.: Design, synthesis and biological evaluation of phthalimide-alkylamine derivatives as balanced multifunctional cholinesterase and monoamine oxidase-B inhibitors for the treatment of Alzheimer's disease. Bioorg Med Chem Lett, Volume 27 (22), 2017";ChEMBL
Caffeine;MM00040;Cn1c(=O)c2c(ncn2C)n(C)c1=O;RYYVLZVUVIJVGH-UHFFFAOYSA-N;194.19;-1.03;2519;DB00201;CFF;CHEMBL113;BBB;EPAM;25;0;"<a href=https://www.ebi.ac.uk/chembl/assay_report_card/CHEMBL4122775/  target=_blank>CHEMBL4122775</a>";;;;;;;;;-5.89;;;;;;;;;;;;"Wang T, Tang Y, Yang Y, An Q, Sang Z, Yang T, Liu P, Zhang T, Deng Y, Luo Y.: Discovery of novel anti-tuberculosis agents with pyrrolo[1,2-a]quinoxaline-based scaffold. Bioorg Med Chem Lett, Volume 28 (11), 2018";ChEMBL
Caffeine;MM00040;Cn1c(=O)c2c(ncn2C)n(C)c1=O;RYYVLZVUVIJVGH-UHFFFAOYSA-N;194.19;-1.03;2519;DB00201;CFF;CHEMBL113;BBB;EPAM;25;0;"<a href=https://www.ebi.ac.uk/chembl/assay_report_card/CHEMBL4122776/  target=_blank>CHEMBL4122776</a>";;;;;;;;;-5.89;;;;;;;;;;;;"Wang T, Tang Y, Yang Y, An Q, Sang Z, Yang T, Liu P, Zhang T, Deng Y, Luo Y.: Discovery of novel anti-tuberculosis agents with pyrrolo[1,2-a]quinoxaline-based scaffold. Bioorg Med Chem Lett, Volume 28 (11), 2018";ChEMBL
Caffeine;MM00040;Cn1c(=O)c2c(ncn2C)n(C)c1=O;RYYVLZVUVIJVGH-UHFFFAOYSA-N;194.19;-1.03;2519;DB00201;CFF;CHEMBL113;BBB;EPAM;25;0;"<a href=https://www.ebi.ac.uk/chembl/assay_report_card/CHEMBL4354765/  target=_blank>CHEMBL4354765</a>";;;;;;;;;-5.89;;;;;;;;;;;;"Zhu G, Wang K, Shi J, Zhang P, Yang D, Fan X, Zhang Z, Liu W, Sang Z.: The development of 2-acetylphenol-donepezil hybrids as multifunctional agents for the treatment of Alzheimer's disease. Bioorg Med Chem Lett, Volume 29 (19), 2019";ChEMBL
Caffeine;MM00040;Cn1c(=O)c2c(ncn2C)n(C)c1=O;RYYVLZVUVIJVGH-UHFFFAOYSA-N;194.19;-1.03;2519;DB00201;CFF;CHEMBL113;BBB;EPAM;25;0;"<a href=https://www.ebi.ac.uk/chembl/assay_report_card/CHEMBL4354771/  target=_blank>CHEMBL4354771</a>";;;;;;;;;-5.89;;;;;;;;;;;;"Zhu G, Wang K, Shi J, Zhang P, Yang D, Fan X, Zhang Z, Liu W, Sang Z.: The development of 2-acetylphenol-donepezil hybrids as multifunctional agents for the treatment of Alzheimer's disease. Bioorg Med Chem Lett, Volume 29 (19), 2019";ChEMBL
Caffeine;MM00040;Cn1c(=O)c2c(ncn2C)n(C)c1=O;RYYVLZVUVIJVGH-UHFFFAOYSA-N;194.19;-1.03;2519;DB00201;CFF;CHEMBL113;BBB;EPAM;25;0;"<a href=https://www.ebi.ac.uk/chembl/assay_report_card/CHEMBL1929957/  target=_blank>CHEMBL1929957</a>";;;;;;;;;-5.77;;;;;;;;;;;;"Redondo M, Zarruk JG, Ceballos P, Pérez DI, Pérez C, Perez-Castillo A, Moro MA, Brea J, Val C, Cadavid MI, Loza MI, Campillo NE, Martínez A, Gil C.: Neuroprotective efficacy of quinazoline type phosphodiesterase 7 inhibitors in cellular cultures and experimental stroke model. Eur J Med Chem, Volume 47 (1), 2012";ChEMBL
Caffeine;MM00040;Cn1c(=O)c2c(ncn2C)n(C)c1=O;RYYVLZVUVIJVGH-UHFFFAOYSA-N;194.19;-1.03;2519;DB00201;CFF;CHEMBL113;BBB;EPAM;25;0;"<a href=https://www.ebi.ac.uk/chembl/assay_report_card/CHEMBL4011777/  target=_blank>CHEMBL4011777</a>";;;;;;;;;-5.89;;;;;;;;;;;;"Sang Z, Pan W, Wang K, Ma Q, Yu L, Yang Y, Bai P, Leng C, Xu Q, Li X, Tan Z, Liu W.: Design, synthesis and evaluation of novel ferulic acid-O-alkylamine derivatives as potential multifunctional agents for the treatment of Alzheimer's disease. Eur J Med Chem, Volume 130, 2017";ChEMBL
Caffeine;MM00040;Cn1c(=O)c2c(ncn2C)n(C)c1=O;RYYVLZVUVIJVGH-UHFFFAOYSA-N;194.19;-1.03;2519;DB00201;CFF;CHEMBL113;BBB;EPAM;25;0;"<a href=https://www.ebi.ac.uk/chembl/assay_report_card/CHEMBL4142614/  target=_blank>CHEMBL4142614</a>";;;;;;;;;-5.96;;;;;;;;;;;;"Xu YX, Wang H, Li XK, Dong SN, Liu WW, Gong Q, Wang TD, Tang Y, Zhu J, Li J, Zhang HY, Mao F.: Discovery of novel propargylamine-modified 4-aminoalkyl imidazole substituted pyrimidinylthiourea derivatives as multifunctional agents for the treatment of Alzheimer's disease. Eur J Med Chem, Volume 143, 2018";ChEMBL
Caffeine;MM00040;Cn1c(=O)c2c(ncn2C)n(C)c1=O;RYYVLZVUVIJVGH-UHFFFAOYSA-N;194.19;-1.03;2519;DB00201;CFF;CHEMBL113;BBB;EPAM;25;0;"<a href=https://www.ebi.ac.uk/chembl/assay_report_card/CHEMBL4268507/  target=_blank>CHEMBL4268507</a>";;;;;;;;;-5.72;;;;;;;;;;;;"Reis J, Cagide F, Valencia ME, Teixeira J, Bagetta D, Pérez C, Uriarte E, Oliveira PJ, Ortuso F, Alcaro S, Rodríguez-Franco MI, Borges F.: Multi-target-directed ligands for Alzheimer's disease: Discovery of chromone-based monoamine oxidase/cholinesterase inhibitors. Eur J Med Chem, Volume 158, 2018";ChEMBL
Caffeine;MM00040;Cn1c(=O)c2c(ncn2C)n(C)c1=O;RYYVLZVUVIJVGH-UHFFFAOYSA-N;194.19;-1.03;2519;DB00201;CFF;CHEMBL113;BBB;EPAM;25;0;"<a href=https://www.ebi.ac.uk/chembl/assay_report_card/CHEMBL4268508/  target=_blank>CHEMBL4268508</a>";;;;;;;;;-5.89;;;;;;;;;;;;"Reis J, Cagide F, Valencia ME, Teixeira J, Bagetta D, Pérez C, Uriarte E, Oliveira PJ, Ortuso F, Alcaro S, Rodríguez-Franco MI, Borges F.: Multi-target-directed ligands for Alzheimer's disease: Discovery of chromone-based monoamine oxidase/cholinesterase inhibitors. Eur J Med Chem, Volume 158, 2018";ChEMBL
Caffeine;MM00040;Cn1c(=O)c2c(ncn2C)n(C)c1=O;RYYVLZVUVIJVGH-UHFFFAOYSA-N;194.19;-1.03;2519;DB00201;CFF;CHEMBL113;BBB;EPAM;25;0;"<a href=https://www.ebi.ac.uk/chembl/assay_report_card/CHEMBL4314243/  target=_blank>CHEMBL4314243</a>";;;;;;;;;-5.89;;;;;;;;;;;;"Bai P, Wang K, Zhang P, Shi J, Cheng X, Zhang Q, Zheng C, Cheng Y, Yang J, Lu X, Sang Z.: Development of chalcone-O-alkylamine derivatives as multifunctional agents against Alzheimer's disease. Eur J Med Chem, Volume 183, 2019";ChEMBL
Caffeine;MM00040;Cn1c(=O)c2c(ncn2C)n(C)c1=O;RYYVLZVUVIJVGH-UHFFFAOYSA-N;194.19;-1.03;2519;DB00201;CFF;CHEMBL113;BBB;EPAM;25;0;"<a href=https://www.ebi.ac.uk/chembl/assay_report_card/CHEMBL4314272/  target=_blank>CHEMBL4314272</a>";;;;;;;;;-5.89;;;;;;;;;;;;"Bai P, Wang K, Zhang P, Shi J, Cheng X, Zhang Q, Zheng C, Cheng Y, Yang J, Lu X, Sang Z.: Development of chalcone-O-alkylamine derivatives as multifunctional agents against Alzheimer's disease. Eur J Med Chem, Volume 183, 2019";ChEMBL
Caffeine;MM00040;Cn1c(=O)c2c(ncn2C)n(C)c1=O;RYYVLZVUVIJVGH-UHFFFAOYSA-N;194.19;-1.03;2519;DB00201;CFF;CHEMBL113;BBB;EPAM;25;0;"<a href=https://www.ebi.ac.uk/chembl/assay_report_card/CHEMBL3587320/  target=_blank>CHEMBL3587320</a>";;;;;;;;;-5.89;;;;;;;;;;;;"Cahlíková L, Pérez DI, Štěpánková Š, Chlebek J, Šafratová M, Hošt'álková A, Opletal L.: In Vitro Inhibitory Effects of 8-O-Demethylmaritidine and Undulatine on Acetylcholinesterase and Their Predicted Penetration across the Blood-Brain Barrier. J Nat Prod, Volume 78 (6), 2015";ChEMBL
Caffeine;MM00040;Cn1c(=O)c2c(ncn2C)n(C)c1=O;RYYVLZVUVIJVGH-UHFFFAOYSA-N;194.19;-1.03;2519;DB00201;CFF;CHEMBL113;BBB;EPAM;25;0;"<a href=https://www.ebi.ac.uk/chembl/assay_report_card/CHEMBL3587321/  target=_blank>CHEMBL3587321</a>";;;;;;;;;-6.52;;;;;;;;;;;;"Cahlíková L, Pérez DI, Štěpánková Š, Chlebek J, Šafratová M, Hošt'álková A, Opletal L.: In Vitro Inhibitory Effects of 8-O-Demethylmaritidine and Undulatine on Acetylcholinesterase and Their Predicted Penetration across the Blood-Brain Barrier. J Nat Prod, Volume 78 (6), 2015";ChEMBL
Caffeine;MM00040;Cn1c(=O)c2c(ncn2C)n(C)c1=O;RYYVLZVUVIJVGH-UHFFFAOYSA-N;194.19;-1.03;2519;DB00201;CFF;CHEMBL113;BBB;EPAM;25;0;"<a href=https://www.ebi.ac.uk/chembl/assay_report_card/CHEMBL1052382/  target=_blank>CHEMBL1052382</a>";;;;;;;;;-5.89;;;;;;;;;;;;"Camps P, Formosa X, Galdeano C, Muñoz-Torrero D, Ramírez L, Gómez E, Isambert N, Lavilla R, Badia A, Clos MV, Bartolini M, Mancini F, Andrisano V, Arce MP, Rodríguez-Franco MI, Huertas O, Dafni T, Luque FJ.: Pyrano[3,2-c]quinoline-6-chlorotacrine hybrids as a novel family of acetylcholinesterase- and beta-amyloid-directed anti-Alzheimer compounds. J Med Chem, Volume 52 (17), 2009";ChEMBL
Caffeine;MM00040;Cn1c(=O)c2c(ncn2C)n(C)c1=O;RYYVLZVUVIJVGH-UHFFFAOYSA-N;194.19;-1.03;2519;DB00201;CFF;CHEMBL113;BBB;EPAM;25;0;"<a href=https://www.ebi.ac.uk/chembl/assay_report_card/CHEMBL1052383/  target=_blank>CHEMBL1052383</a>";;;;;;;;;-5.36;;;;;;;;;;;;"Camps P, Formosa X, Galdeano C, Muñoz-Torrero D, Ramírez L, Gómez E, Isambert N, Lavilla R, Badia A, Clos MV, Bartolini M, Mancini F, Andrisano V, Arce MP, Rodríguez-Franco MI, Huertas O, Dafni T, Luque FJ.: Pyrano[3,2-c]quinoline-6-chlorotacrine hybrids as a novel family of acetylcholinesterase- and beta-amyloid-directed anti-Alzheimer compounds. J Med Chem, Volume 52 (17), 2009";ChEMBL
Diazepam;MM00094;CN1C(=O)CN=C(c2ccccc2)c2cc(Cl)ccc21;AAOVKJBEBIDNHE-UHFFFAOYSA-N;284.75;3.15;3016;DB00829;DZP;CHEMBL12;BBB;EPAM;25;0;"<a href=https://www.ebi.ac.uk/chembl/assay_report_card/CHEMBL3787917/  target=_blank>CHEMBL3787917</a>";;;;;;;;;-4.93;;;;;;;;;;;;"Li Y, Qiang X, Luo L, Li Y, Xiao G, Tan Z, Deng Y.: Synthesis and evaluation of 4-hydroxyl aurone derivatives as multifunctional agents for the treatment of Alzheimer's disease. Bioorg Med Chem, Volume 24 (10), 2016";ChEMBL
Diazepam;MM00094;CN1C(=O)CN=C(c2ccccc2)c2cc(Cl)ccc21;AAOVKJBEBIDNHE-UHFFFAOYSA-N;284.75;3.15;3016;DB00829;DZP;CHEMBL12;BBB;EPAM;25;0;"<a href=https://www.ebi.ac.uk/chembl/assay_report_card/CHEMBL3787919/  target=_blank>CHEMBL3787919</a>";;;;;;;;;-4.8;;;;;;;;;;;;"Li Y, Qiang X, Luo L, Li Y, Xiao G, Tan Z, Deng Y.: Synthesis and evaluation of 4-hydroxyl aurone derivatives as multifunctional agents for the treatment of Alzheimer's disease. Bioorg Med Chem, Volume 24 (10), 2016";ChEMBL
Diazepam;MM00094;CN1C(=O)CN=C(c2ccccc2)c2cc(Cl)ccc21;AAOVKJBEBIDNHE-UHFFFAOYSA-N;284.75;3.15;3016;DB00829;DZP;CHEMBL12;BBB;EPAM;25;0;"<a href=https://www.ebi.ac.uk/chembl/assay_report_card/CHEMBL4035435/  target=_blank>CHEMBL4035435</a>";;;;;;;;;-4.93;;;;;;;;;;;;"Sang Z, Pan W, Wang K, Ma Q, Yu L, Liu W.: Design, synthesis and biological evaluation of 3,4-dihydro-2(1H)-quinoline-O-alkylamine derivatives as new multipotent cholinesterase/monoamine oxidase inhibitors for the treatment of Alzheimer's disease. Bioorg Med Chem, Volume 25 (12), 2017";ChEMBL
Diazepam;MM00094;CN1C(=O)CN=C(c2ccccc2)c2cc(Cl)ccc21;AAOVKJBEBIDNHE-UHFFFAOYSA-N;284.75;3.15;3016;DB00829;DZP;CHEMBL12;BBB;EPAM;25;0;"<a href=https://www.ebi.ac.uk/chembl/assay_report_card/CHEMBL4188381/  target=_blank>CHEMBL4188381</a>";;;;;;;;;-4.8;;;;;;;;;;;;"Cao Z, Yang J, Xu R, Song Q, Zhang X, Liu H, Qiang X, Li Y, Tan Z, Deng Y.: Design, synthesis and evaluation of 4'-OH-flurbiprofen-chalcone hybrids as potential multifunctional agents for Alzheimer's disease treatment. Bioorg Med Chem, Volume 26 (5), 2018";ChEMBL
Diazepam;MM00094;CN1C(=O)CN=C(c2ccccc2)c2cc(Cl)ccc21;AAOVKJBEBIDNHE-UHFFFAOYSA-N;284.75;3.15;3016;DB00829;DZP;CHEMBL12;BBB;EPAM;25;0;"<a href=https://www.ebi.ac.uk/chembl/assay_report_card/CHEMBL4188382/  target=_blank>CHEMBL4188382</a>";;;;;;;;;-4.96;;;;;;;;;;;;"Cao Z, Yang J, Xu R, Song Q, Zhang X, Liu H, Qiang X, Li Y, Tan Z, Deng Y.: Design, synthesis and evaluation of 4'-OH-flurbiprofen-chalcone hybrids as potential multifunctional agents for Alzheimer's disease treatment. Bioorg Med Chem, Volume 26 (5), 2018";ChEMBL
Diazepam;MM00094;CN1C(=O)CN=C(c2ccccc2)c2cc(Cl)ccc21;AAOVKJBEBIDNHE-UHFFFAOYSA-N;284.75;3.15;3016;DB00829;DZP;CHEMBL12;BBB;EPAM;25;0;"<a href=https://www.ebi.ac.uk/chembl/assay_report_card/CHEMBL4221603/  target=_blank>CHEMBL4221603</a>";;;;;;;;;-4.93;;;;;;;;;;;;"Xu R, Xiao G, Li Y, Liu H, Song Q, Zhang X, Yang Z, Zheng Y, Tan Z, Deng Y.: Multifunctional 5,6-dimethoxybenzo[d]isothiazol-3(2H)-one-N-alkylbenzylamine derivatives with acetylcholinesterase, monoamine oxidases and β-amyloid aggregation inhibitory activities as potential agents against Alzheimer's disease. Bioorg Med Chem, Volume 26 (8), 2018";ChEMBL
Diazepam;MM00094;CN1C(=O)CN=C(c2ccccc2)c2cc(Cl)ccc21;AAOVKJBEBIDNHE-UHFFFAOYSA-N;284.75;3.15;3016;DB00829;DZP;CHEMBL12;BBB;EPAM;25;0;"<a href=https://www.ebi.ac.uk/chembl/assay_report_card/CHEMBL4221605/  target=_blank>CHEMBL4221605</a>";;;;;;;;;-4.8;;;;;;;;;;;;"Xu R, Xiao G, Li Y, Liu H, Song Q, Zhang X, Yang Z, Zheng Y, Tan Z, Deng Y.: Multifunctional 5,6-dimethoxybenzo[d]isothiazol-3(2H)-one-N-alkylbenzylamine derivatives with acetylcholinesterase, monoamine oxidases and β-amyloid aggregation inhibitory activities as potential agents against Alzheimer's disease. Bioorg Med Chem, Volume 26 (8), 2018";ChEMBL
Diazepam;MM00094;CN1C(=O)CN=C(c2ccccc2)c2cc(Cl)ccc21;AAOVKJBEBIDNHE-UHFFFAOYSA-N;284.75;3.15;3016;DB00829;DZP;CHEMBL12;BBB;EPAM;25;0;"<a href=https://www.ebi.ac.uk/chembl/assay_report_card/CHEMBL4048094/  target=_blank>CHEMBL4048094</a>";;;;;;;;;-4.93;;;;;;;;;;;;"Sang Z, Wang K, Wang H, Yu L, Wang H, Ma Q, Ye M, Han X, Liu W.: Design, synthesis and biological evaluation of phthalimide-alkylamine derivatives as balanced multifunctional cholinesterase and monoamine oxidase-B inhibitors for the treatment of Alzheimer's disease. Bioorg Med Chem Lett, Volume 27 (22), 2017";ChEMBL
Diazepam;MM00094;CN1C(=O)CN=C(c2ccccc2)c2cc(Cl)ccc21;AAOVKJBEBIDNHE-UHFFFAOYSA-N;284.75;3.15;3016;DB00829;DZP;CHEMBL12;BBB;EPAM;25;0;"<a href=https://www.ebi.ac.uk/chembl/assay_report_card/CHEMBL4122775/  target=_blank>CHEMBL4122775</a>";;;;;;;;;-4.93;;;;;;;;;;;;"Wang T, Tang Y, Yang Y, An Q, Sang Z, Yang T, Liu P, Zhang T, Deng Y, Luo Y.: Discovery of novel anti-tuberculosis agents with pyrrolo[1,2-a]quinoxaline-based scaffold. Bioorg Med Chem Lett, Volume 28 (11), 2018";ChEMBL
Diazepam;MM00094;CN1C(=O)CN=C(c2ccccc2)c2cc(Cl)ccc21;AAOVKJBEBIDNHE-UHFFFAOYSA-N;284.75;3.15;3016;DB00829;DZP;CHEMBL12;BBB;EPAM;25;0;"<a href=https://www.ebi.ac.uk/chembl/assay_report_card/CHEMBL4122776/  target=_blank>CHEMBL4122776</a>";;;;;;;;;-4.8;;;;;;;;;;;;"Wang T, Tang Y, Yang Y, An Q, Sang Z, Yang T, Liu P, Zhang T, Deng Y, Luo Y.: Discovery of novel anti-tuberculosis agents with pyrrolo[1,2-a]quinoxaline-based scaffold. Bioorg Med Chem Lett, Volume 28 (11), 2018";ChEMBL
Diazepam;MM00094;CN1C(=O)CN=C(c2ccccc2)c2cc(Cl)ccc21;AAOVKJBEBIDNHE-UHFFFAOYSA-N;284.75;3.15;3016;DB00829;DZP;CHEMBL12;BBB;EPAM;25;0;"<a href=https://www.ebi.ac.uk/chembl/assay_report_card/CHEMBL4354765/  target=_blank>CHEMBL4354765</a>";;;;;;;;;-4.93;;;;;;;;;;;;"Zhu G, Wang K, Shi J, Zhang P, Yang D, Fan X, Zhang Z, Liu W, Sang Z.: The development of 2-acetylphenol-donepezil hybrids as multifunctional agents for the treatment of Alzheimer's disease. Bioorg Med Chem Lett, Volume 29 (19), 2019";ChEMBL
Diazepam;MM00094;CN1C(=O)CN=C(c2ccccc2)c2cc(Cl)ccc21;AAOVKJBEBIDNHE-UHFFFAOYSA-N;284.75;3.15;3016;DB00829;DZP;CHEMBL12;BBB;EPAM;25;0;"<a href=https://www.ebi.ac.uk/chembl/assay_report_card/CHEMBL4354771/  target=_blank>CHEMBL4354771</a>";;;;;;;;;-4.8;;;;;;;;;;;;"Zhu G, Wang K, Shi J, Zhang P, Yang D, Fan X, Zhang Z, Liu W, Sang Z.: The development of 2-acetylphenol-donepezil hybrids as multifunctional agents for the treatment of Alzheimer's disease. Bioorg Med Chem Lett, Volume 29 (19), 2019";ChEMBL
Diazepam;MM00094;CN1C(=O)CN=C(c2ccccc2)c2cc(Cl)ccc21;AAOVKJBEBIDNHE-UHFFFAOYSA-N;284.75;3.15;3016;DB00829;DZP;CHEMBL12;BBB;EPAM;25;0;"<a href=https://www.ebi.ac.uk/chembl/assay_report_card/CHEMBL4011777/  target=_blank>CHEMBL4011777</a>";;;;;;;;;-4.93;;;;;;;;;;;;"Sang Z, Pan W, Wang K, Ma Q, Yu L, Yang Y, Bai P, Leng C, Xu Q, Li X, Tan Z, Liu W.: Design, synthesis and evaluation of novel ferulic acid-O-alkylamine derivatives as potential multifunctional agents for the treatment of Alzheimer's disease. Eur J Med Chem, Volume 130, 2017";ChEMBL
Diazepam;MM00094;CN1C(=O)CN=C(c2ccccc2)c2cc(Cl)ccc21;AAOVKJBEBIDNHE-UHFFFAOYSA-N;284.75;3.15;3016;DB00829;DZP;CHEMBL12;BBB;EPAM;25;0;"<a href=https://www.ebi.ac.uk/chembl/assay_report_card/CHEMBL4142614/  target=_blank>CHEMBL4142614</a>";;;;;;;;;-4.78;;;;;;;;;;;;"Xu YX, Wang H, Li XK, Dong SN, Liu WW, Gong Q, Wang TD, Tang Y, Zhu J, Li J, Zhang HY, Mao F.: Discovery of novel propargylamine-modified 4-aminoalkyl imidazole substituted pyrimidinylthiourea derivatives as multifunctional agents for the treatment of Alzheimer's disease. Eur J Med Chem, Volume 143, 2018";ChEMBL
Diazepam;MM00094;CN1C(=O)CN=C(c2ccccc2)c2cc(Cl)ccc21;AAOVKJBEBIDNHE-UHFFFAOYSA-N;284.75;3.15;3016;DB00829;DZP;CHEMBL12;BBB;EPAM;25;0;"<a href=https://www.ebi.ac.uk/chembl/assay_report_card/CHEMBL4314243/  target=_blank>CHEMBL4314243</a>";;;;;;;;;-4.93;;;;;;;;;;;;"Bai P, Wang K, Zhang P, Shi J, Cheng X, Zhang Q, Zheng C, Cheng Y, Yang J, Lu X, Sang Z.: Development of chalcone-O-alkylamine derivatives as multifunctional agents against Alzheimer's disease. Eur J Med Chem, Volume 183, 2019";ChEMBL
Diazepam;MM00094;CN1C(=O)CN=C(c2ccccc2)c2cc(Cl)ccc21;AAOVKJBEBIDNHE-UHFFFAOYSA-N;284.75;3.15;3016;DB00829;DZP;CHEMBL12;BBB;EPAM;25;0;"<a href=https://www.ebi.ac.uk/chembl/assay_report_card/CHEMBL4314272/  target=_blank>CHEMBL4314272</a>";;;;;;;;;-4.8;;;;;;;;;;;;"Bai P, Wang K, Zhang P, Shi J, Cheng X, Zhang Q, Zheng C, Cheng Y, Yang J, Lu X, Sang Z.: Development of chalcone-O-alkylamine derivatives as multifunctional agents against Alzheimer's disease. Eur J Med Chem, Volume 183, 2019";ChEMBL
Quinidine;MM00558;C=C[C@H]1CN2CC[C@H]1C[C@@H]2[C@@H](O)c1ccnc2ccc(OC)cc12;LOUPRKONTZGTKE-LHHVKLHASA-N;324.42;3.17;441074;DB00908;QDN;CHEMBL1294;BBB;EPAM;25;0;"<a href=https://www.ebi.ac.uk/chembl/assay_report_card/CHEMBL3406583/  target=_blank>CHEMBL3406583</a>";;;;;;;;;-3.5;;;;;;;;;;;;"Więckowska A, Więckowski K, Bajda M, Brus B, Sałat K, Czerwińska P, Gobec S, Filipek B, Malawska B.: Synthesis of new N-benzylpiperidine derivatives as cholinesterase inhibitors with β-amyloid anti-aggregation properties and beneficial effects on memory in vivo. Bioorg Med Chem, Volume 23 (10), 2015";ChEMBL
Quinidine;MM00558;C=C[C@H]1CN2CC[C@H]1C[C@@H]2[C@@H](O)c1ccnc2ccc(OC)cc12;LOUPRKONTZGTKE-LHHVKLHASA-N;324.42;3.17;441074;DB00908;QDN;CHEMBL1294;BBB;EPAM;25;0;"<a href=https://www.ebi.ac.uk/chembl/assay_report_card/CHEMBL3875283/  target=_blank>CHEMBL3875283</a>";;;;;;;;;-4;;;;;;;;;;;;"Więckowska A, Kołaczkowski M, Bucki A, Godyń J, Marcinkowska M, Więckowski K, Zaręba P, Siwek A, Kazek G, Głuch-Lutwin M, Mierzejewski P, Bienkowski P, Sienkiewicz-Jarosz H, Knez D, Wichur T, Gobec S, Malawska B.: Novel multi-target-directed ligands for Alzheimer's disease: Combining cholinesterase inhibitors and 5-HT<sub>6</sub> receptor antagonists. Design, synthesis and biological evaluation. Eur J Med Chem, Volume 124, 2016";ChEMBL
MM471272;MM471272;O=C(C=Cc1ccc(O)cc1)C=C(O)C=Cc1ccc(O)cc1;YXAKCQIIROBKOP-HSSGTREWSA-N;308.33;3.84;5324473;;;CHEMBL131770;BBB;EPAM;25;0;"<a href=https://www.ebi.ac.uk/chembl/assay_report_card/CHEMBL3769119/  target=_blank>CHEMBL3769119</a>";;;;;;;;;-5.11;;;;;;;;;;;;"Di Martino RM, De Simone A, Andrisano V, Bisignano P, Bisi A, Gobbi S, Rampa A, Fato R, Bergamini C, Perez DI, Martinez A, Bottegoni G, Cavalli A, Belluti F.: Versatility of the Curcumin Scaffold: Discovery of Potent and Balanced Dual BACE-1 and GSK-3β Inhibitors. J Med Chem, Volume 59 (2), 2016";ChEMBL
Clonidine;MM00344;Clc1cccc(Cl)c1NC1=NCCN1;GJSURZIOUXUGAL-UHFFFAOYSA-N;230.1;2.17;2803;DB00575;CLU;CHEMBL134;BBB;EPAM;25;0;"<a href=https://www.ebi.ac.uk/chembl/assay_report_card/CHEMBL3366747/  target=_blank>CHEMBL3366747</a>";;;;;;;;;-5.19;;;;;;;;;;;;"Pérez-Areales FJ, Di Pietro O, Espargaró A, Vallverdú-Queralt A, Galdeano C, Ragusa IM, Viayna E, Guillou C, Clos MV, Pérez B, Sabaté R, Lamuela-Raventós RM, Luque FJ, Muñoz-Torrero D.: Shogaol-huprine hybrids: dual antioxidant and anticholinesterase agents with β-amyloid and tau anti-aggregating properties. Bioorg Med Chem, Volume 22 (19), 2014";ChEMBL
Clonidine;MM00344;Clc1cccc(Cl)c1NC1=NCCN1;GJSURZIOUXUGAL-UHFFFAOYSA-N;230.1;2.17;2803;DB00575;CLU;CHEMBL134;BBB;EPAM;25;0;"<a href=https://www.ebi.ac.uk/chembl/assay_report_card/CHEMBL3787917/  target=_blank>CHEMBL3787917</a>";;;;;;;;;-5.29;;;;;;;;;;;;"Li Y, Qiang X, Luo L, Li Y, Xiao G, Tan Z, Deng Y.: Synthesis and evaluation of 4-hydroxyl aurone derivatives as multifunctional agents for the treatment of Alzheimer's disease. Bioorg Med Chem, Volume 24 (10), 2016";ChEMBL
Clonidine;MM00344;Clc1cccc(Cl)c1NC1=NCCN1;GJSURZIOUXUGAL-UHFFFAOYSA-N;230.1;2.17;2803;DB00575;CLU;CHEMBL134;BBB;EPAM;25;0;"<a href=https://www.ebi.ac.uk/chembl/assay_report_card/CHEMBL3787919/  target=_blank>CHEMBL3787919</a>";;;;;;;;;-5.28;;;;;;;;;;;;"Li Y, Qiang X, Luo L, Li Y, Xiao G, Tan Z, Deng Y.: Synthesis and evaluation of 4-hydroxyl aurone derivatives as multifunctional agents for the treatment of Alzheimer's disease. Bioorg Med Chem, Volume 24 (10), 2016";ChEMBL
Clonidine;MM00344;Clc1cccc(Cl)c1NC1=NCCN1;GJSURZIOUXUGAL-UHFFFAOYSA-N;230.1;2.17;2803;DB00575;CLU;CHEMBL134;BBB;EPAM;25;0;"<a href=https://www.ebi.ac.uk/chembl/assay_report_card/CHEMBL3826717/  target=_blank>CHEMBL3826717</a>";;;;;;;;;-5.33;;;;;;;;;;;;"Wang J, Wang ZM, Li XM, Li F, Wu JJ, Kong LY, Wang XB.: Synthesis and evaluation of multi-target-directed ligands for the treatment of Alzheimer's disease based on the fusion of donepezil and melatonin. Bioorg Med Chem, Volume 24 (18), 2016";ChEMBL
Clonidine;MM00344;Clc1cccc(Cl)c1NC1=NCCN1;GJSURZIOUXUGAL-UHFFFAOYSA-N;230.1;2.17;2803;DB00575;CLU;CHEMBL134;BBB;EPAM;25;0;"<a href=https://www.ebi.ac.uk/chembl/assay_report_card/CHEMBL3863409/  target=_blank>CHEMBL3863409</a>";;;;;;;;;-5.16;;;;;;;;;;;;"Wang Z, Wu J, Yang X, Cai P, Liu Q, Wang KDG, Kong L, Wang X.: Neuroprotective effects of benzyloxy substituted small molecule monoamine oxidase B inhibitors in Parkinson's disease. Bioorg Med Chem, Volume 24 (22), 2016";ChEMBL
Clonidine;MM00344;Clc1cccc(Cl)c1NC1=NCCN1;GJSURZIOUXUGAL-UHFFFAOYSA-N;230.1;2.17;2803;DB00575;CLU;CHEMBL134;BBB;EPAM;25;0;"<a href=https://www.ebi.ac.uk/chembl/assay_report_card/CHEMBL3863410/  target=_blank>CHEMBL3863410</a>";;;;;;;;;-5.28;;;;;;;;;;;;"Wang Z, Wu J, Yang X, Cai P, Liu Q, Wang KDG, Kong L, Wang X.: Neuroprotective effects of benzyloxy substituted small molecule monoamine oxidase B inhibitors in Parkinson's disease. Bioorg Med Chem, Volume 24 (22), 2016";ChEMBL
Clonidine;MM00344;Clc1cccc(Cl)c1NC1=NCCN1;GJSURZIOUXUGAL-UHFFFAOYSA-N;230.1;2.17;2803;DB00575;CLU;CHEMBL134;BBB;EPAM;25;0;"<a href=https://www.ebi.ac.uk/chembl/assay_report_card/CHEMBL4035435/  target=_blank>CHEMBL4035435</a>";;;;;;;;;-5.29;;;;;;;;;;;;"Sang Z, Pan W, Wang K, Ma Q, Yu L, Liu W.: Design, synthesis and biological evaluation of 3,4-dihydro-2(1H)-quinoline-O-alkylamine derivatives as new multipotent cholinesterase/monoamine oxidase inhibitors for the treatment of Alzheimer's disease. Bioorg Med Chem, Volume 25 (12), 2017";ChEMBL
Clonidine;MM00344;Clc1cccc(Cl)c1NC1=NCCN1;GJSURZIOUXUGAL-UHFFFAOYSA-N;230.1;2.17;2803;DB00575;CLU;CHEMBL134;BBB;EPAM;25;0;"<a href=https://www.ebi.ac.uk/chembl/assay_report_card/CHEMBL4055315/  target=_blank>CHEMBL4055315</a>";;;;;;;;;-5.38;;;;;;;;;;;;"Li F, Wu JJ, Wang J, Yang XL, Cai P, Liu QH, Kong LY, Wang XB.: Synthesis and pharmacological evaluation of novel chromone derivatives as balanced multifunctional agents against Alzheimer's disease. Bioorg Med Chem, Volume 25 (14), 2017";ChEMBL
Clonidine;MM00344;Clc1cccc(Cl)c1NC1=NCCN1;GJSURZIOUXUGAL-UHFFFAOYSA-N;230.1;2.17;2803;DB00575;CLU;CHEMBL134;BBB;EPAM;25;0;"<a href=https://www.ebi.ac.uk/chembl/assay_report_card/CHEMBL4179547/  target=_blank>CHEMBL4179547</a>";;;;;;;;;-5.3;;;;;;;;;;;;"Yang HL, Cai P, Liu QH, Yang XL, Fang SQ, Tang YW, Wang C, Wang XB, Kong LY.: Design, synthesis, and evaluation of salicyladimine derivatives as multitarget-directed ligands against Alzheimer's disease. Bioorg Med Chem, Volume 25 (21), 2017";ChEMBL
Clonidine;MM00344;Clc1cccc(Cl)c1NC1=NCCN1;GJSURZIOUXUGAL-UHFFFAOYSA-N;230.1;2.17;2803;DB00575;CLU;CHEMBL134;BBB;EPAM;25;0;"<a href=https://www.ebi.ac.uk/chembl/assay_report_card/CHEMBL4188381/  target=_blank>CHEMBL4188381</a>";;;;;;;;;-5.28;;;;;;;;;;;;"Cao Z, Yang J, Xu R, Song Q, Zhang X, Liu H, Qiang X, Li Y, Tan Z, Deng Y.: Design, synthesis and evaluation of 4'-OH-flurbiprofen-chalcone hybrids as potential multifunctional agents for Alzheimer's disease treatment. Bioorg Med Chem, Volume 26 (5), 2018";ChEMBL
Clonidine;MM00344;Clc1cccc(Cl)c1NC1=NCCN1;GJSURZIOUXUGAL-UHFFFAOYSA-N;230.1;2.17;2803;DB00575;CLU;CHEMBL134;BBB;EPAM;25;0;"<a href=https://www.ebi.ac.uk/chembl/assay_report_card/CHEMBL4188382/  target=_blank>CHEMBL4188382</a>";;;;;;;;;-5.26;;;;;;;;;;;;"Cao Z, Yang J, Xu R, Song Q, Zhang X, Liu H, Qiang X, Li Y, Tan Z, Deng Y.: Design, synthesis and evaluation of 4'-OH-flurbiprofen-chalcone hybrids as potential multifunctional agents for Alzheimer's disease treatment. Bioorg Med Chem, Volume 26 (5), 2018";ChEMBL
Clonidine;MM00344;Clc1cccc(Cl)c1NC1=NCCN1;GJSURZIOUXUGAL-UHFFFAOYSA-N;230.1;2.17;2803;DB00575;CLU;CHEMBL134;BBB;EPAM;25;0;"<a href=https://www.ebi.ac.uk/chembl/assay_report_card/CHEMBL4221603/  target=_blank>CHEMBL4221603</a>";;;;;;;;;-5.29;;;;;;;;;;;;"Xu R, Xiao G, Li Y, Liu H, Song Q, Zhang X, Yang Z, Zheng Y, Tan Z, Deng Y.: Multifunctional 5,6-dimethoxybenzo[d]isothiazol-3(2H)-one-N-alkylbenzylamine derivatives with acetylcholinesterase, monoamine oxidases and β-amyloid aggregation inhibitory activities as potential agents against Alzheimer's disease. Bioorg Med Chem, Volume 26 (8), 2018";ChEMBL
Clonidine;MM00344;Clc1cccc(Cl)c1NC1=NCCN1;GJSURZIOUXUGAL-UHFFFAOYSA-N;230.1;2.17;2803;DB00575;CLU;CHEMBL134;BBB;EPAM;25;0;"<a href=https://www.ebi.ac.uk/chembl/assay_report_card/CHEMBL4221605/  target=_blank>CHEMBL4221605</a>";;;;;;;;;-5.28;;;;;;;;;;;;"Xu R, Xiao G, Li Y, Liu H, Song Q, Zhang X, Yang Z, Zheng Y, Tan Z, Deng Y.: Multifunctional 5,6-dimethoxybenzo[d]isothiazol-3(2H)-one-N-alkylbenzylamine derivatives with acetylcholinesterase, monoamine oxidases and β-amyloid aggregation inhibitory activities as potential agents against Alzheimer's disease. Bioorg Med Chem, Volume 26 (8), 2018";ChEMBL
Clonidine;MM00344;Clc1cccc(Cl)c1NC1=NCCN1;GJSURZIOUXUGAL-UHFFFAOYSA-N;230.1;2.17;2803;DB00575;CLU;CHEMBL134;BBB;EPAM;25;0;"<a href=https://www.ebi.ac.uk/chembl/assay_report_card/CHEMBL3796842/  target=_blank>CHEMBL3796842</a>";;;;;;;;;-5.33;;;;;;;;;;;;"Pan W, Hu K, Bai P, Yu L, Ma Q, Li T, Zhang X, Chen C, Peng K, Liu W, Sang Z.: Design, synthesis and evaluation of novel ferulic acid-memoquin hybrids as potential multifunctional agents for the treatment of Alzheimer's disease. Bioorg Med Chem Lett, Volume 26 (10), 2016";ChEMBL
Clonidine;MM00344;Clc1cccc(Cl)c1NC1=NCCN1;GJSURZIOUXUGAL-UHFFFAOYSA-N;230.1;2.17;2803;DB00575;CLU;CHEMBL134;BBB;EPAM;25;0;"<a href=https://www.ebi.ac.uk/chembl/assay_report_card/CHEMBL4048094/  target=_blank>CHEMBL4048094</a>";;;;;;;;;-5.29;;;;;;;;;;;;"Sang Z, Wang K, Wang H, Yu L, Wang H, Ma Q, Ye M, Han X, Liu W.: Design, synthesis and biological evaluation of phthalimide-alkylamine derivatives as balanced multifunctional cholinesterase and monoamine oxidase-B inhibitors for the treatment of Alzheimer's disease. Bioorg Med Chem Lett, Volume 27 (22), 2017";ChEMBL
Clonidine;MM00344;Clc1cccc(Cl)c1NC1=NCCN1;GJSURZIOUXUGAL-UHFFFAOYSA-N;230.1;2.17;2803;DB00575;CLU;CHEMBL134;BBB;EPAM;25;0;"<a href=https://www.ebi.ac.uk/chembl/assay_report_card/CHEMBL4122775/  target=_blank>CHEMBL4122775</a>";;;;;;;;;-5.29;;;;;;;;;;;;"Wang T, Tang Y, Yang Y, An Q, Sang Z, Yang T, Liu P, Zhang T, Deng Y, Luo Y.: Discovery of novel anti-tuberculosis agents with pyrrolo[1,2-a]quinoxaline-based scaffold. Bioorg Med Chem Lett, Volume 28 (11), 2018";ChEMBL
Clonidine;MM00344;Clc1cccc(Cl)c1NC1=NCCN1;GJSURZIOUXUGAL-UHFFFAOYSA-N;230.1;2.17;2803;DB00575;CLU;CHEMBL134;BBB;EPAM;25;0;"<a href=https://www.ebi.ac.uk/chembl/assay_report_card/CHEMBL4122776/  target=_blank>CHEMBL4122776</a>";;;;;;;;;-5.28;;;;;;;;;;;;"Wang T, Tang Y, Yang Y, An Q, Sang Z, Yang T, Liu P, Zhang T, Deng Y, Luo Y.: Discovery of novel anti-tuberculosis agents with pyrrolo[1,2-a]quinoxaline-based scaffold. Bioorg Med Chem Lett, Volume 28 (11), 2018";ChEMBL
Clonidine;MM00344;Clc1cccc(Cl)c1NC1=NCCN1;GJSURZIOUXUGAL-UHFFFAOYSA-N;230.1;2.17;2803;DB00575;CLU;CHEMBL134;BBB;EPAM;25;0;"<a href=https://www.ebi.ac.uk/chembl/assay_report_card/CHEMBL4354765/  target=_blank>CHEMBL4354765</a>";;;;;;;;;-5.29;;;;;;;;;;;;"Zhu G, Wang K, Shi J, Zhang P, Yang D, Fan X, Zhang Z, Liu W, Sang Z.: The development of 2-acetylphenol-donepezil hybrids as multifunctional agents for the treatment of Alzheimer's disease. Bioorg Med Chem Lett, Volume 29 (19), 2019";ChEMBL
Clonidine;MM00344;Clc1cccc(Cl)c1NC1=NCCN1;GJSURZIOUXUGAL-UHFFFAOYSA-N;230.1;2.17;2803;DB00575;CLU;CHEMBL134;BBB;EPAM;25;0;"<a href=https://www.ebi.ac.uk/chembl/assay_report_card/CHEMBL4354771/  target=_blank>CHEMBL4354771</a>";;;;;;;;;-5.28;;;;;;;;;;;;"Zhu G, Wang K, Shi J, Zhang P, Yang D, Fan X, Zhang Z, Liu W, Sang Z.: The development of 2-acetylphenol-donepezil hybrids as multifunctional agents for the treatment of Alzheimer's disease. Bioorg Med Chem Lett, Volume 29 (19), 2019";ChEMBL
Clonidine;MM00344;Clc1cccc(Cl)c1NC1=NCCN1;GJSURZIOUXUGAL-UHFFFAOYSA-N;230.1;2.17;2803;DB00575;CLU;CHEMBL134;BBB;EPAM;25;0;"<a href=https://www.ebi.ac.uk/chembl/assay_report_card/CHEMBL3123849/  target=_blank>CHEMBL3123849</a>";;;;;;;;;-5.28;;;;;;;;;;;;"Di Pietro O, Viayna E, Vicente-García E, Bartolini M, Ramón R, Juárez-Jiménez J, Clos MV, Pérez B, Andrisano V, Luque FJ, Lavilla R, Muñoz-Torrero D.: 1,2,3,4-Tetrahydrobenzo[h][1,6]naphthyridines as a new family of potent peripheral-to-midgorge-site inhibitors of acetylcholinesterase: synthesis, pharmacological evaluation and mechanistic studies. Eur J Med Chem, Volume 73, 2014";ChEMBL
Clonidine;MM00344;Clc1cccc(Cl)c1NC1=NCCN1;GJSURZIOUXUGAL-UHFFFAOYSA-N;230.1;2.17;2803;DB00575;CLU;CHEMBL134;BBB;EPAM;25;0;"<a href=https://www.ebi.ac.uk/chembl/assay_report_card/CHEMBL3372306/  target=_blank>CHEMBL3372306</a>";;;;;;;;;-5.29;;;;;;;;;;;;"Huang L, Miao H, Sun Y, Meng F, Li X.: Discovery of indanone derivatives as multi-target-directed ligands against Alzheimer's disease. Eur J Med Chem, Volume 87, 2014";ChEMBL
Clonidine;MM00344;Clc1cccc(Cl)c1NC1=NCCN1;GJSURZIOUXUGAL-UHFFFAOYSA-N;230.1;2.17;2803;DB00575;CLU;CHEMBL134;BBB;EPAM;25;0;"<a href=https://www.ebi.ac.uk/chembl/assay_report_card/CHEMBL4011777/  target=_blank>CHEMBL4011777</a>";;;;;;;;;-5.29;;;;;;;;;;;;"Sang Z, Pan W, Wang K, Ma Q, Yu L, Yang Y, Bai P, Leng C, Xu Q, Li X, Tan Z, Liu W.: Design, synthesis and evaluation of novel ferulic acid-O-alkylamine derivatives as potential multifunctional agents for the treatment of Alzheimer's disease. Eur J Med Chem, Volume 130, 2017";ChEMBL
Clonidine;MM00344;Clc1cccc(Cl)c1NC1=NCCN1;GJSURZIOUXUGAL-UHFFFAOYSA-N;230.1;2.17;2803;DB00575;CLU;CHEMBL134;BBB;EPAM;25;0;"<a href=https://www.ebi.ac.uk/chembl/assay_report_card/CHEMBL4193463/  target=_blank>CHEMBL4193463</a>";;;;;;;;;-5.51;;;;;;;;;;;;"Wang J, Cai P, Yang XL, Li F, Wu JJ, Kong LY, Wang XB.: Novel cinnamamide-dibenzylamine hybrids: Potent neurogenic agents with antioxidant, cholinergic, and neuroprotective properties as innovative drugs for Alzheimer's disease. Eur J Med Chem, Volume 139, 2017";ChEMBL
Clonidine;MM00344;Clc1cccc(Cl)c1NC1=NCCN1;GJSURZIOUXUGAL-UHFFFAOYSA-N;230.1;2.17;2803;DB00575;CLU;CHEMBL134;BBB;EPAM;25;0;"<a href=https://www.ebi.ac.uk/chembl/assay_report_card/CHEMBL4142614/  target=_blank>CHEMBL4142614</a>";;;;;;;;;-5.43;;;;;;;;;;;;"Xu YX, Wang H, Li XK, Dong SN, Liu WW, Gong Q, Wang TD, Tang Y, Zhu J, Li J, Zhang HY, Mao F.: Discovery of novel propargylamine-modified 4-aminoalkyl imidazole substituted pyrimidinylthiourea derivatives as multifunctional agents for the treatment of Alzheimer's disease. Eur J Med Chem, Volume 143, 2018";ChEMBL
Clonidine;MM00344;Clc1cccc(Cl)c1NC1=NCCN1;GJSURZIOUXUGAL-UHFFFAOYSA-N;230.1;2.17;2803;DB00575;CLU;CHEMBL134;BBB;EPAM;25;0;"<a href=https://www.ebi.ac.uk/chembl/assay_report_card/CHEMBL4331636/  target=_blank>CHEMBL4331636</a>";;;;;;;;;-5.21;;;;;;;;;;;;"Tang YW, Shi CJ, Yang HL, Cai P, Liu QH, Yang XL, Kong LY, Wang XB.: Synthesis and evaluation of isoprenylation-resveratrol dimer derivatives against Alzheimer's disease. Eur J Med Chem, Volume 163, 2019";ChEMBL
Clonidine;MM00344;Clc1cccc(Cl)c1NC1=NCCN1;GJSURZIOUXUGAL-UHFFFAOYSA-N;230.1;2.17;2803;DB00575;CLU;CHEMBL134;BBB;EPAM;25;0;"<a href=https://www.ebi.ac.uk/chembl/assay_report_card/CHEMBL4331637/  target=_blank>CHEMBL4331637</a>";;;;;;;;;-5.28;;;;;;;;;;;;"Tang YW, Shi CJ, Yang HL, Cai P, Liu QH, Yang XL, Kong LY, Wang XB.: Synthesis and evaluation of isoprenylation-resveratrol dimer derivatives against Alzheimer's disease. Eur J Med Chem, Volume 163, 2019";ChEMBL
Clonidine;MM00344;Clc1cccc(Cl)c1NC1=NCCN1;GJSURZIOUXUGAL-UHFFFAOYSA-N;230.1;2.17;2803;DB00575;CLU;CHEMBL134;BBB;EPAM;25;0;"<a href=https://www.ebi.ac.uk/chembl/assay_report_card/CHEMBL4307308/  target=_blank>CHEMBL4307308</a>";;;;;;;;;-5.19;;;;;;;;;;;;"Pérez-Areales FJ, Turcu AL, Barniol-Xicota M, Pont C, Pivetta D, Espargaró A, Bartolini M, De Simone A, Andrisano V, Pérez B, Sabate R, Sureda FX, Vázquez S, Muñoz-Torrero D.: A novel class of multitarget anti-Alzheimer benzohomoadamantane‒chlorotacrine hybrids modulating cholinesterases and glutamate NMDA receptors. Eur J Med Chem, Volume 180, 2019";ChEMBL
Clonidine;MM00344;Clc1cccc(Cl)c1NC1=NCCN1;GJSURZIOUXUGAL-UHFFFAOYSA-N;230.1;2.17;2803;DB00575;CLU;CHEMBL134;BBB;EPAM;25;0;"<a href=https://www.ebi.ac.uk/chembl/assay_report_card/CHEMBL4307309/  target=_blank>CHEMBL4307309</a>";;;;;;;;;-5.28;;;;;;;;;;;;"Pérez-Areales FJ, Turcu AL, Barniol-Xicota M, Pont C, Pivetta D, Espargaró A, Bartolini M, De Simone A, Andrisano V, Pérez B, Sabate R, Sureda FX, Vázquez S, Muñoz-Torrero D.: A novel class of multitarget anti-Alzheimer benzohomoadamantane‒chlorotacrine hybrids modulating cholinesterases and glutamate NMDA receptors. Eur J Med Chem, Volume 180, 2019";ChEMBL
Clonidine;MM00344;Clc1cccc(Cl)c1NC1=NCCN1;GJSURZIOUXUGAL-UHFFFAOYSA-N;230.1;2.17;2803;DB00575;CLU;CHEMBL134;BBB;EPAM;25;0;"<a href=https://www.ebi.ac.uk/chembl/assay_report_card/CHEMBL4314243/  target=_blank>CHEMBL4314243</a>";;;;;;;;;-5.29;;;;;;;;;;;;"Bai P, Wang K, Zhang P, Shi J, Cheng X, Zhang Q, Zheng C, Cheng Y, Yang J, Lu X, Sang Z.: Development of chalcone-O-alkylamine derivatives as multifunctional agents against Alzheimer's disease. Eur J Med Chem, Volume 183, 2019";ChEMBL
Clonidine;MM00344;Clc1cccc(Cl)c1NC1=NCCN1;GJSURZIOUXUGAL-UHFFFAOYSA-N;230.1;2.17;2803;DB00575;CLU;CHEMBL134;BBB;EPAM;25;0;"<a href=https://www.ebi.ac.uk/chembl/assay_report_card/CHEMBL4314272/  target=_blank>CHEMBL4314272</a>";;;;;;;;;-5.28;;;;;;;;;;;;"Bai P, Wang K, Zhang P, Shi J, Cheng X, Zhang Q, Zheng C, Cheng Y, Yang J, Lu X, Sang Z.: Development of chalcone-O-alkylamine derivatives as multifunctional agents against Alzheimer's disease. Eur J Med Chem, Volume 183, 2019";ChEMBL
Clonidine;MM00344;Clc1cccc(Cl)c1NC1=NCCN1;GJSURZIOUXUGAL-UHFFFAOYSA-N;230.1;2.17;2803;DB00575;CLU;CHEMBL134;BBB;EPAM;25;0;"<a href=https://www.ebi.ac.uk/chembl/assay_report_card/CHEMBL1052382/  target=_blank>CHEMBL1052382</a>";;;;;;;;;-5.28;;;;;;;;;;;;"Camps P, Formosa X, Galdeano C, Muñoz-Torrero D, Ramírez L, Gómez E, Isambert N, Lavilla R, Badia A, Clos MV, Bartolini M, Mancini F, Andrisano V, Arce MP, Rodríguez-Franco MI, Huertas O, Dafni T, Luque FJ.: Pyrano[3,2-c]quinoline-6-chlorotacrine hybrids as a novel family of acetylcholinesterase- and beta-amyloid-directed anti-Alzheimer compounds. J Med Chem, Volume 52 (17), 2009";ChEMBL
Clonidine;MM00344;Clc1cccc(Cl)c1NC1=NCCN1;GJSURZIOUXUGAL-UHFFFAOYSA-N;230.1;2.17;2803;DB00575;CLU;CHEMBL134;BBB;EPAM;25;0;"<a href=https://www.ebi.ac.uk/chembl/assay_report_card/CHEMBL1052383/  target=_blank>CHEMBL1052383</a>";;;;;;;;;-4.85;;;;;;;;;;;;"Camps P, Formosa X, Galdeano C, Muñoz-Torrero D, Ramírez L, Gómez E, Isambert N, Lavilla R, Badia A, Clos MV, Bartolini M, Mancini F, Andrisano V, Arce MP, Rodríguez-Franco MI, Huertas O, Dafni T, Luque FJ.: Pyrano[3,2-c]quinoline-6-chlorotacrine hybrids as a novel family of acetylcholinesterase- and beta-amyloid-directed anti-Alzheimer compounds. J Med Chem, Volume 52 (17), 2009";ChEMBL
Clonidine;MM00344;Clc1cccc(Cl)c1NC1=NCCN1;GJSURZIOUXUGAL-UHFFFAOYSA-N;230.1;2.17;2803;DB00575;CLU;CHEMBL134;BBB;EPAM;25;0;"<a href=https://www.ebi.ac.uk/chembl/assay_report_card/CHEMBL1052384/  target=_blank>CHEMBL1052384</a>";;;;;;;;;-4.99;;;;;;;;;;;;"Camps P, Formosa X, Galdeano C, Muñoz-Torrero D, Ramírez L, Gómez E, Isambert N, Lavilla R, Badia A, Clos MV, Bartolini M, Mancini F, Andrisano V, Arce MP, Rodríguez-Franco MI, Huertas O, Dafni T, Luque FJ.: Pyrano[3,2-c]quinoline-6-chlorotacrine hybrids as a novel family of acetylcholinesterase- and beta-amyloid-directed anti-Alzheimer compounds. J Med Chem, Volume 52 (17), 2009";ChEMBL
Clonidine;MM00344;Clc1cccc(Cl)c1NC1=NCCN1;GJSURZIOUXUGAL-UHFFFAOYSA-N;230.1;2.17;2803;DB00575;CLU;CHEMBL134;BBB;EPAM;25;0;"<a href=https://www.ebi.ac.uk/chembl/assay_report_card/CHEMBL3821787/  target=_blank>CHEMBL3821787</a>";;;;;;;;;-5.34;;;;;;;;;;;;10.1039/C6MD00053C;ChEMBL
Clonidine;MM00344;Clc1cccc(Cl)c1NC1=NCCN1;GJSURZIOUXUGAL-UHFFFAOYSA-N;230.1;2.17;2803;DB00575;CLU;CHEMBL134;BBB;EPAM;25;0;"<a href=https://www.ebi.ac.uk/chembl/assay_report_card/CHEMBL3821788/  target=_blank>CHEMBL3821788</a>";;;;;;;;;-5.28;;;;;;;;;;;;10.1039/C6MD00053C;ChEMBL
Estradiol;MM00197;CC12CCC3c4ccc(O)cc4CCC3C1CCC2O;VOXZDWNPVJITMN-UHFFFAOYSA-N;272.39;3.61;5757;DB00783;EST;CHEMBL135;BBB;EPAM;25;0;"<a href=https://www.ebi.ac.uk/chembl/assay_report_card/CHEMBL3826717/  target=_blank>CHEMBL3826717</a>";;;;;;;;;-5.06;;;;;;;;;;;;"Wang J, Wang ZM, Li XM, Li F, Wu JJ, Kong LY, Wang XB.: Synthesis and evaluation of multi-target-directed ligands for the treatment of Alzheimer's disease based on the fusion of donepezil and melatonin. Bioorg Med Chem, Volume 24 (18), 2016";ChEMBL
Estradiol;MM00197;CC12CCC3c4ccc(O)cc4CCC3C1CCC2O;VOXZDWNPVJITMN-UHFFFAOYSA-N;272.39;3.61;5757;DB00783;EST;CHEMBL135;BBB;EPAM;25;0;"<a href=https://www.ebi.ac.uk/chembl/assay_report_card/CHEMBL3863409/  target=_blank>CHEMBL3863409</a>";;;;;;;;;-4.82;;;;;;;;;;;;"Wang Z, Wu J, Yang X, Cai P, Liu Q, Wang KDG, Kong L, Wang X.: Neuroprotective effects of benzyloxy substituted small molecule monoamine oxidase B inhibitors in Parkinson's disease. Bioorg Med Chem, Volume 24 (22), 2016";ChEMBL
Estradiol;MM00197;CC12CCC3c4ccc(O)cc4CCC3C1CCC2O;VOXZDWNPVJITMN-UHFFFAOYSA-N;272.39;3.61;5757;DB00783;EST;CHEMBL135;BBB;EPAM;25;0;"<a href=https://www.ebi.ac.uk/chembl/assay_report_card/CHEMBL3863410/  target=_blank>CHEMBL3863410</a>";;;;;;;;;-4.92;;;;;;;;;;;;"Wang Z, Wu J, Yang X, Cai P, Liu Q, Wang KDG, Kong L, Wang X.: Neuroprotective effects of benzyloxy substituted small molecule monoamine oxidase B inhibitors in Parkinson's disease. Bioorg Med Chem, Volume 24 (22), 2016";ChEMBL
Estradiol;MM00197;CC12CCC3c4ccc(O)cc4CCC3C1CCC2O;VOXZDWNPVJITMN-UHFFFAOYSA-N;272.39;3.61;5757;DB00783;EST;CHEMBL135;BBB;EPAM;25;0;"<a href=https://www.ebi.ac.uk/chembl/assay_report_card/CHEMBL4055315/  target=_blank>CHEMBL4055315</a>";;;;;;;;;-4.95;;;;;;;;;;;;"Li F, Wu JJ, Wang J, Yang XL, Cai P, Liu QH, Kong LY, Wang XB.: Synthesis and pharmacological evaluation of novel chromone derivatives as balanced multifunctional agents against Alzheimer's disease. Bioorg Med Chem, Volume 25 (14), 2017";ChEMBL
Estradiol;MM00197;CC12CCC3c4ccc(O)cc4CCC3C1CCC2O;VOXZDWNPVJITMN-UHFFFAOYSA-N;272.39;3.61;5757;DB00783;EST;CHEMBL135;BBB;EPAM;25;0;"<a href=https://www.ebi.ac.uk/chembl/assay_report_card/CHEMBL4179547/  target=_blank>CHEMBL4179547</a>";;;;;;;;;-5.04;;;;;;;;;;;;"Yang HL, Cai P, Liu QH, Yang XL, Fang SQ, Tang YW, Wang C, Wang XB, Kong LY.: Design, synthesis, and evaluation of salicyladimine derivatives as multitarget-directed ligands against Alzheimer's disease. Bioorg Med Chem, Volume 25 (21), 2017";ChEMBL
Estradiol;MM00197;CC12CCC3c4ccc(O)cc4CCC3C1CCC2O;VOXZDWNPVJITMN-UHFFFAOYSA-N;272.39;3.61;5757;DB00783;EST;CHEMBL135;BBB;EPAM;25;0;"<a href=https://www.ebi.ac.uk/chembl/assay_report_card/CHEMBL4034191/  target=_blank>CHEMBL4034191</a>";;;;;;;;;-4.95;;;;;;;;;;;;"Lan JS, Zhang T, Liu Y, Yang J, Xie SS, Liu J, Miao ZY, Ding Y.: Design, synthesis and biological activity of novel donepezil derivatives bearing N-benzyl pyridinium moiety as potent and dual binding site acetylcholinesterase inhibitors. Eur J Med Chem, Volume 133, 2017";ChEMBL
Estradiol;MM00197;CC12CCC3c4ccc(O)cc4CCC3C1CCC2O;VOXZDWNPVJITMN-UHFFFAOYSA-N;272.39;3.61;5757;DB00783;EST;CHEMBL135;BBB;EPAM;25;0;"<a href=https://www.ebi.ac.uk/chembl/assay_report_card/CHEMBL4034201/  target=_blank>CHEMBL4034201</a>";;;;;;;;;-4.92;;;;;;;;;;;;"Lan JS, Zhang T, Liu Y, Yang J, Xie SS, Liu J, Miao ZY, Ding Y.: Design, synthesis and biological activity of novel donepezil derivatives bearing N-benzyl pyridinium moiety as potent and dual binding site acetylcholinesterase inhibitors. Eur J Med Chem, Volume 133, 2017";ChEMBL
Estradiol;MM00197;CC12CCC3c4ccc(O)cc4CCC3C1CCC2O;VOXZDWNPVJITMN-UHFFFAOYSA-N;272.39;3.61;5757;DB00783;EST;CHEMBL135;BBB;EPAM;25;0;"<a href=https://www.ebi.ac.uk/chembl/assay_report_card/CHEMBL4193311/  target=_blank>CHEMBL4193311</a>";;;;;;;;;-4.86;;;;;;;;;;;;"Lan JS, Ding Y, Liu Y, Kang P, Hou JW, Zhang XY, Xie SS, Zhang T.: Design, synthesis and biological evaluation of novel coumarin-N-benzyl pyridinium hybrids as multi-target agents for the treatment of Alzheimer's disease. Eur J Med Chem, Volume 139, 2017";ChEMBL
Estradiol;MM00197;CC12CCC3c4ccc(O)cc4CCC3C1CCC2O;VOXZDWNPVJITMN-UHFFFAOYSA-N;272.39;3.61;5757;DB00783;EST;CHEMBL135;BBB;EPAM;25;0;"<a href=https://www.ebi.ac.uk/chembl/assay_report_card/CHEMBL4193312/  target=_blank>CHEMBL4193312</a>";;;;;;;;;-4.92;;;;;;;;;;;;"Lan JS, Ding Y, Liu Y, Kang P, Hou JW, Zhang XY, Xie SS, Zhang T.: Design, synthesis and biological evaluation of novel coumarin-N-benzyl pyridinium hybrids as multi-target agents for the treatment of Alzheimer's disease. Eur J Med Chem, Volume 139, 2017";ChEMBL
Estradiol;MM00197;CC12CCC3c4ccc(O)cc4CCC3C1CCC2O;VOXZDWNPVJITMN-UHFFFAOYSA-N;272.39;3.61;5757;DB00783;EST;CHEMBL135;BBB;EPAM;25;0;"<a href=https://www.ebi.ac.uk/chembl/assay_report_card/CHEMBL4193463/  target=_blank>CHEMBL4193463</a>";;;;;;;;;-4.85;;;;;;;;;;;;"Wang J, Cai P, Yang XL, Li F, Wu JJ, Kong LY, Wang XB.: Novel cinnamamide-dibenzylamine hybrids: Potent neurogenic agents with antioxidant, cholinergic, and neuroprotective properties as innovative drugs for Alzheimer's disease. Eur J Med Chem, Volume 139, 2017";ChEMBL
Estradiol;MM00197;CC12CCC3c4ccc(O)cc4CCC3C1CCC2O;VOXZDWNPVJITMN-UHFFFAOYSA-N;272.39;3.61;5757;DB00783;EST;CHEMBL135;BBB;EPAM;25;0;"<a href=https://www.ebi.ac.uk/chembl/assay_report_card/CHEMBL4142614/  target=_blank>CHEMBL4142614</a>";;;;;;;;;-5.02;;;;;;;;;;;;"Xu YX, Wang H, Li XK, Dong SN, Liu WW, Gong Q, Wang TD, Tang Y, Zhu J, Li J, Zhang HY, Mao F.: Discovery of novel propargylamine-modified 4-aminoalkyl imidazole substituted pyrimidinylthiourea derivatives as multifunctional agents for the treatment of Alzheimer's disease. Eur J Med Chem, Volume 143, 2018";ChEMBL
Estradiol;MM00197;CC12CCC3c4ccc(O)cc4CCC3C1CCC2O;VOXZDWNPVJITMN-UHFFFAOYSA-N;272.39;3.61;5757;DB00783;EST;CHEMBL135;BBB;EPAM;25;0;"<a href=https://www.ebi.ac.uk/chembl/assay_report_card/CHEMBL4331636/  target=_blank>CHEMBL4331636</a>";;;;;;;;;-4.87;;;;;;;;;;;;"Tang YW, Shi CJ, Yang HL, Cai P, Liu QH, Yang XL, Kong LY, Wang XB.: Synthesis and evaluation of isoprenylation-resveratrol dimer derivatives against Alzheimer's disease. Eur J Med Chem, Volume 163, 2019";ChEMBL
Estradiol;MM00197;CC12CCC3c4ccc(O)cc4CCC3C1CCC2O;VOXZDWNPVJITMN-UHFFFAOYSA-N;272.39;3.61;5757;DB00783;EST;CHEMBL135;BBB;EPAM;25;0;"<a href=https://www.ebi.ac.uk/chembl/assay_report_card/CHEMBL4331637/  target=_blank>CHEMBL4331637</a>";;;;;;;;;-4.92;;;;;;;;;;;;"Tang YW, Shi CJ, Yang HL, Cai P, Liu QH, Yang XL, Kong LY, Wang XB.: Synthesis and evaluation of isoprenylation-resveratrol dimer derivatives against Alzheimer's disease. Eur J Med Chem, Volume 163, 2019";ChEMBL
Estradiol;MM00197;CC12CCC3c4ccc(O)cc4CCC3C1CCC2O;VOXZDWNPVJITMN-UHFFFAOYSA-N;272.39;3.61;5757;DB00783;EST;CHEMBL135;BBB;EPAM;25;0;"<a href=https://www.ebi.ac.uk/chembl/assay_report_card/CHEMBL3821787/  target=_blank>CHEMBL3821787</a>";;;;;;;;;-4.92;;;;;;;;;;;;10.1039/C6MD00053C;ChEMBL
Estradiol;MM00197;CC12CCC3c4ccc(O)cc4CCC3C1CCC2O;VOXZDWNPVJITMN-UHFFFAOYSA-N;272.39;3.61;5757;DB00783;EST;CHEMBL135;BBB;EPAM;25;0;"<a href=https://www.ebi.ac.uk/chembl/assay_report_card/CHEMBL3821788/  target=_blank>CHEMBL3821788</a>";;;;;;;;;-4.92;;;;;;;;;;;;10.1039/C6MD00053C;ChEMBL
MM471088;MM471088;CC1=CC2Cc3nc4cc(Cl)ccc4c(N)c3C(C1)C2;UKCBMHDZLYYTMI-UHFFFAOYSA-N;284.79;4.47;10107976;;;CHEMBL140476;BBB;EPAM;25;0;"<a href=https://www.ebi.ac.uk/chembl/assay_report_card/CHEMBL3366747/  target=_blank>CHEMBL3366747</a>";;;;;;;;;-4.66;;;;;;;;;;;;"Pérez-Areales FJ, Di Pietro O, Espargaró A, Vallverdú-Queralt A, Galdeano C, Ragusa IM, Viayna E, Guillou C, Clos MV, Pérez B, Sabaté R, Lamuela-Raventós RM, Luque FJ, Muñoz-Torrero D.: Shogaol-huprine hybrids: dual antioxidant and anticholinesterase agents with β-amyloid and tau anti-aggregating properties. Bioorg Med Chem, Volume 22 (19), 2014";ChEMBL
MM471211;MM471211;Oc1ccc(/C=C/c2cc(O)cc(O)c2)cc1;LUKBXSAWLPMMSZ-OWOJBTEDSA-N;228.25;2.97;;;;;BBB;EPAM;25;0;"<a href=https://www.ebi.ac.uk/chembl/assay_report_card/CHEMBL4340785/  target=_blank>CHEMBL4340785</a>";;;;;;;;;-5.96;;;;;;;;;;;;"Fang Y, Zhou H, Gu Q, Xu J.: Synthesis and evaluation of tetrahydroisoquinoline-benzimidazole hybrids as multifunctional agents for the treatment of Alzheimer's disease. Eur J Med Chem, Volume 167, 2019";ChEMBL
MM471285;MM471285;O=C1CCOc2cc(OCc3ccc(F)cc3)ccc21;NQSKQOBQOSSMQQ-UHFFFAOYSA-N;272.28;3.37;53322381;;;CHEMBL1682819;BBB;EPAM;25;0;"<a href=https://www.ebi.ac.uk/chembl/assay_report_card/CHEMBL3863409/  target=_blank>CHEMBL3863409</a>";;;;;;;;;-4.84;;;;;;;;;;;;"Wang Z, Wu J, Yang X, Cai P, Liu Q, Wang KDG, Kong L, Wang X.: Neuroprotective effects of benzyloxy substituted small molecule monoamine oxidase B inhibitors in Parkinson's disease. Bioorg Med Chem, Volume 24 (22), 2016";ChEMBL
Theophylline;MM00048;Cn1c(=O)c2[nH]cnc2n(C)c1=O;ZFXYFBGIUFBOJW-UHFFFAOYSA-N;180.17;-1.04;2153;DB00277;TEP;CHEMBL190;BBB;EPAM;25;0;"<a href=https://www.ebi.ac.uk/chembl/assay_report_card/CHEMBL3404446/  target=_blank>CHEMBL3404446</a>";;;;;;;;;-7.3;;;;;;;;;;;;"Guzior N, Bajda M, Rakoczy J, Brus B, Gobec S, Malawska B.: Isoindoline-1,3-dione derivatives targeting cholinesterases: design, synthesis and biological evaluation of potential anti-Alzheimer's agents. Bioorg Med Chem, Volume 23 (7), 2015";ChEMBL
Theophylline;MM00048;Cn1c(=O)c2[nH]cnc2n(C)c1=O;ZFXYFBGIUFBOJW-UHFFFAOYSA-N;180.17;-1.04;2153;DB00277;TEP;CHEMBL190;BBB;EPAM;25;0;"<a href=https://www.ebi.ac.uk/chembl/assay_report_card/CHEMBL3406583/  target=_blank>CHEMBL3406583</a>";;;;;;;;;-7.3;;;;;;;;;;;;"Więckowska A, Więckowski K, Bajda M, Brus B, Sałat K, Czerwińska P, Gobec S, Filipek B, Malawska B.: Synthesis of new N-benzylpiperidine derivatives as cholinesterase inhibitors with β-amyloid anti-aggregation properties and beneficial effects on memory in vivo. Bioorg Med Chem, Volume 23 (10), 2015";ChEMBL
Theophylline;MM00048;Cn1c(=O)c2[nH]cnc2n(C)c1=O;ZFXYFBGIUFBOJW-UHFFFAOYSA-N;180.17;-1.04;2153;DB00277;TEP;CHEMBL190;BBB;EPAM;25;0;"<a href=https://www.ebi.ac.uk/chembl/assay_report_card/CHEMBL3787917/  target=_blank>CHEMBL3787917</a>";;;;;;;;;-7;;;;;;;;;;;;"Li Y, Qiang X, Luo L, Li Y, Xiao G, Tan Z, Deng Y.: Synthesis and evaluation of 4-hydroxyl aurone derivatives as multifunctional agents for the treatment of Alzheimer's disease. Bioorg Med Chem, Volume 24 (10), 2016";ChEMBL
Theophylline;MM00048;Cn1c(=O)c2[nH]cnc2n(C)c1=O;ZFXYFBGIUFBOJW-UHFFFAOYSA-N;180.17;-1.04;2153;DB00277;TEP;CHEMBL190;BBB;EPAM;25;0;"<a href=https://www.ebi.ac.uk/chembl/assay_report_card/CHEMBL3787919/  target=_blank>CHEMBL3787919</a>";;;;;;;;;-6.92;;;;;;;;;;;;"Li Y, Qiang X, Luo L, Li Y, Xiao G, Tan Z, Deng Y.: Synthesis and evaluation of 4-hydroxyl aurone derivatives as multifunctional agents for the treatment of Alzheimer's disease. Bioorg Med Chem, Volume 24 (10), 2016";ChEMBL
Theophylline;MM00048;Cn1c(=O)c2[nH]cnc2n(C)c1=O;ZFXYFBGIUFBOJW-UHFFFAOYSA-N;180.17;-1.04;2153;DB00277;TEP;CHEMBL190;BBB;EPAM;25;0;"<a href=https://www.ebi.ac.uk/chembl/assay_report_card/CHEMBL4035435/  target=_blank>CHEMBL4035435</a>";;;;;;;;;-7;;;;;;;;;;;;"Sang Z, Pan W, Wang K, Ma Q, Yu L, Liu W.: Design, synthesis and biological evaluation of 3,4-dihydro-2(1H)-quinoline-O-alkylamine derivatives as new multipotent cholinesterase/monoamine oxidase inhibitors for the treatment of Alzheimer's disease. Bioorg Med Chem, Volume 25 (12), 2017";ChEMBL
Theophylline;MM00048;Cn1c(=O)c2[nH]cnc2n(C)c1=O;ZFXYFBGIUFBOJW-UHFFFAOYSA-N;180.17;-1.04;2153;DB00277;TEP;CHEMBL190;BBB;EPAM;25;0;"<a href=https://www.ebi.ac.uk/chembl/assay_report_card/CHEMBL4188381/  target=_blank>CHEMBL4188381</a>";;;;;;;;;-6.92;;;;;;;;;;;;"Cao Z, Yang J, Xu R, Song Q, Zhang X, Liu H, Qiang X, Li Y, Tan Z, Deng Y.: Design, synthesis and evaluation of 4'-OH-flurbiprofen-chalcone hybrids as potential multifunctional agents for Alzheimer's disease treatment. Bioorg Med Chem, Volume 26 (5), 2018";ChEMBL
Theophylline;MM00048;Cn1c(=O)c2[nH]cnc2n(C)c1=O;ZFXYFBGIUFBOJW-UHFFFAOYSA-N;180.17;-1.04;2153;DB00277;TEP;CHEMBL190;BBB;EPAM;25;0;"<a href=https://www.ebi.ac.uk/chembl/assay_report_card/CHEMBL4188382/  target=_blank>CHEMBL4188382</a>";;;;;;;;;-6.77;;;;;;;;;;;;"Cao Z, Yang J, Xu R, Song Q, Zhang X, Liu H, Qiang X, Li Y, Tan Z, Deng Y.: Design, synthesis and evaluation of 4'-OH-flurbiprofen-chalcone hybrids as potential multifunctional agents for Alzheimer's disease treatment. Bioorg Med Chem, Volume 26 (5), 2018";ChEMBL
Theophylline;MM00048;Cn1c(=O)c2[nH]cnc2n(C)c1=O;ZFXYFBGIUFBOJW-UHFFFAOYSA-N;180.17;-1.04;2153;DB00277;TEP;CHEMBL190;BBB;EPAM;25;0;"<a href=https://www.ebi.ac.uk/chembl/assay_report_card/CHEMBL4221603/  target=_blank>CHEMBL4221603</a>";;;;;;;;;-7;;;;;;;;;;;;"Xu R, Xiao G, Li Y, Liu H, Song Q, Zhang X, Yang Z, Zheng Y, Tan Z, Deng Y.: Multifunctional 5,6-dimethoxybenzo[d]isothiazol-3(2H)-one-N-alkylbenzylamine derivatives with acetylcholinesterase, monoamine oxidases and β-amyloid aggregation inhibitory activities as potential agents against Alzheimer's disease. Bioorg Med Chem, Volume 26 (8), 2018";ChEMBL
Theophylline;MM00048;Cn1c(=O)c2[nH]cnc2n(C)c1=O;ZFXYFBGIUFBOJW-UHFFFAOYSA-N;180.17;-1.04;2153;DB00277;TEP;CHEMBL190;BBB;EPAM;25;0;"<a href=https://www.ebi.ac.uk/chembl/assay_report_card/CHEMBL4221605/  target=_blank>CHEMBL4221605</a>";;;;;;;;;-6.92;;;;;;;;;;;;"Xu R, Xiao G, Li Y, Liu H, Song Q, Zhang X, Yang Z, Zheng Y, Tan Z, Deng Y.: Multifunctional 5,6-dimethoxybenzo[d]isothiazol-3(2H)-one-N-alkylbenzylamine derivatives with acetylcholinesterase, monoamine oxidases and β-amyloid aggregation inhibitory activities as potential agents against Alzheimer's disease. Bioorg Med Chem, Volume 26 (8), 2018";ChEMBL
Theophylline;MM00048;Cn1c(=O)c2[nH]cnc2n(C)c1=O;ZFXYFBGIUFBOJW-UHFFFAOYSA-N;180.17;-1.04;2153;DB00277;TEP;CHEMBL190;BBB;EPAM;25;0;"<a href=https://www.ebi.ac.uk/chembl/assay_report_card/CHEMBL3796842/  target=_blank>CHEMBL3796842</a>";;;;;;;;;-6.89;;;;;;;;;;;;"Pan W, Hu K, Bai P, Yu L, Ma Q, Li T, Zhang X, Chen C, Peng K, Liu W, Sang Z.: Design, synthesis and evaluation of novel ferulic acid-memoquin hybrids as potential multifunctional agents for the treatment of Alzheimer's disease. Bioorg Med Chem Lett, Volume 26 (10), 2016";ChEMBL
Theophylline;MM00048;Cn1c(=O)c2[nH]cnc2n(C)c1=O;ZFXYFBGIUFBOJW-UHFFFAOYSA-N;180.17;-1.04;2153;DB00277;TEP;CHEMBL190;BBB;EPAM;25;0;"<a href=https://www.ebi.ac.uk/chembl/assay_report_card/CHEMBL4048094/  target=_blank>CHEMBL4048094</a>";;;;;;;;;-7;;;;;;;;;;;;"Sang Z, Wang K, Wang H, Yu L, Wang H, Ma Q, Ye M, Han X, Liu W.: Design, synthesis and biological evaluation of phthalimide-alkylamine derivatives as balanced multifunctional cholinesterase and monoamine oxidase-B inhibitors for the treatment of Alzheimer's disease. Bioorg Med Chem Lett, Volume 27 (22), 2017";ChEMBL
Theophylline;MM00048;Cn1c(=O)c2[nH]cnc2n(C)c1=O;ZFXYFBGIUFBOJW-UHFFFAOYSA-N;180.17;-1.04;2153;DB00277;TEP;CHEMBL190;BBB;EPAM;25;0;"<a href=https://www.ebi.ac.uk/chembl/assay_report_card/CHEMBL4122775/  target=_blank>CHEMBL4122775</a>";;;;;;;;;-7;;;;;;;;;;;;"Wang T, Tang Y, Yang Y, An Q, Sang Z, Yang T, Liu P, Zhang T, Deng Y, Luo Y.: Discovery of novel anti-tuberculosis agents with pyrrolo[1,2-a]quinoxaline-based scaffold. Bioorg Med Chem Lett, Volume 28 (11), 2018";ChEMBL
Theophylline;MM00048;Cn1c(=O)c2[nH]cnc2n(C)c1=O;ZFXYFBGIUFBOJW-UHFFFAOYSA-N;180.17;-1.04;2153;DB00277;TEP;CHEMBL190;BBB;EPAM;25;0;"<a href=https://www.ebi.ac.uk/chembl/assay_report_card/CHEMBL4122776/  target=_blank>CHEMBL4122776</a>";;;;;;;;;-6.92;;;;;;;;;;;;"Wang T, Tang Y, Yang Y, An Q, Sang Z, Yang T, Liu P, Zhang T, Deng Y, Luo Y.: Discovery of novel anti-tuberculosis agents with pyrrolo[1,2-a]quinoxaline-based scaffold. Bioorg Med Chem Lett, Volume 28 (11), 2018";ChEMBL
Theophylline;MM00048;Cn1c(=O)c2[nH]cnc2n(C)c1=O;ZFXYFBGIUFBOJW-UHFFFAOYSA-N;180.17;-1.04;2153;DB00277;TEP;CHEMBL190;BBB;EPAM;25;0;"<a href=https://www.ebi.ac.uk/chembl/assay_report_card/CHEMBL4354765/  target=_blank>CHEMBL4354765</a>";;;;;;;;;-7;;;;;;;;;;;;"Zhu G, Wang K, Shi J, Zhang P, Yang D, Fan X, Zhang Z, Liu W, Sang Z.: The development of 2-acetylphenol-donepezil hybrids as multifunctional agents for the treatment of Alzheimer's disease. Bioorg Med Chem Lett, Volume 29 (19), 2019";ChEMBL
Theophylline;MM00048;Cn1c(=O)c2[nH]cnc2n(C)c1=O;ZFXYFBGIUFBOJW-UHFFFAOYSA-N;180.17;-1.04;2153;DB00277;TEP;CHEMBL190;BBB;EPAM;25;0;"<a href=https://www.ebi.ac.uk/chembl/assay_report_card/CHEMBL4354771/  target=_blank>CHEMBL4354771</a>";;;;;;;;;-6.92;;;;;;;;;;;;"Zhu G, Wang K, Shi J, Zhang P, Yang D, Fan X, Zhang Z, Liu W, Sang Z.: The development of 2-acetylphenol-donepezil hybrids as multifunctional agents for the treatment of Alzheimer's disease. Bioorg Med Chem Lett, Volume 29 (19), 2019";ChEMBL
Theophylline;MM00048;Cn1c(=O)c2[nH]cnc2n(C)c1=O;ZFXYFBGIUFBOJW-UHFFFAOYSA-N;180.17;-1.04;2153;DB00277;TEP;CHEMBL190;BBB;EPAM;25;0;"<a href=https://www.ebi.ac.uk/chembl/assay_report_card/CHEMBL3372306/  target=_blank>CHEMBL3372306</a>";;;;;;;;;-6.59;;;;;;;;;;;;"Huang L, Miao H, Sun Y, Meng F, Li X.: Discovery of indanone derivatives as multi-target-directed ligands against Alzheimer's disease. Eur J Med Chem, Volume 87, 2014";ChEMBL
Theophylline;MM00048;Cn1c(=O)c2[nH]cnc2n(C)c1=O;ZFXYFBGIUFBOJW-UHFFFAOYSA-N;180.17;-1.04;2153;DB00277;TEP;CHEMBL190;BBB;EPAM;25;0;"<a href=https://www.ebi.ac.uk/chembl/assay_report_card/CHEMBL3875283/  target=_blank>CHEMBL3875283</a>";;;;;;;;;-6.3;;;;;;;;;;;;"Więckowska A, Kołaczkowski M, Bucki A, Godyń J, Marcinkowska M, Więckowski K, Zaręba P, Siwek A, Kazek G, Głuch-Lutwin M, Mierzejewski P, Bienkowski P, Sienkiewicz-Jarosz H, Knez D, Wichur T, Gobec S, Malawska B.: Novel multi-target-directed ligands for Alzheimer's disease: Combining cholinesterase inhibitors and 5-HT<sub>6</sub> receptor antagonists. Design, synthesis and biological evaluation. Eur J Med Chem, Volume 124, 2016";ChEMBL
Theophylline;MM00048;Cn1c(=O)c2[nH]cnc2n(C)c1=O;ZFXYFBGIUFBOJW-UHFFFAOYSA-N;180.17;-1.04;2153;DB00277;TEP;CHEMBL190;BBB;EPAM;25;0;"<a href=https://www.ebi.ac.uk/chembl/assay_report_card/CHEMBL4011777/  target=_blank>CHEMBL4011777</a>";;;;;;;;;-7;;;;;;;;;;;;"Sang Z, Pan W, Wang K, Ma Q, Yu L, Yang Y, Bai P, Leng C, Xu Q, Li X, Tan Z, Liu W.: Design, synthesis and evaluation of novel ferulic acid-O-alkylamine derivatives as potential multifunctional agents for the treatment of Alzheimer's disease. Eur J Med Chem, Volume 130, 2017";ChEMBL
Theophylline;MM00048;Cn1c(=O)c2[nH]cnc2n(C)c1=O;ZFXYFBGIUFBOJW-UHFFFAOYSA-N;180.17;-1.04;2153;DB00277;TEP;CHEMBL190;BBB;EPAM;25;0;"<a href=https://www.ebi.ac.uk/chembl/assay_report_card/CHEMBL4153238/  target=_blank>CHEMBL4153238</a>";;;;;;;;;-7.22;;;;;;;;;;;;"Kwak SH, Shin S, Lee JH, Shim JK, Kim M, Lee SD, Lee A, Bae J, Park JH, Abdelrahman A, Müller CE, Cho SK, Kang SG, Bae MA, Yang JY, Ko H, Goddard WA, Kim YC.: Synthesis and structure-activity relationships of quinolinone and quinoline-based P2X7 receptor antagonists and their anti-sphere formation activities in glioblastoma cells. Eur J Med Chem, Volume 151, 2018";ChEMBL
Theophylline;MM00048;Cn1c(=O)c2[nH]cnc2n(C)c1=O;ZFXYFBGIUFBOJW-UHFFFAOYSA-N;180.17;-1.04;2153;DB00277;TEP;CHEMBL190;BBB;EPAM;25;0;"<a href=https://www.ebi.ac.uk/chembl/assay_report_card/CHEMBL4314243/  target=_blank>CHEMBL4314243</a>";;;;;;;;;-7;;;;;;;;;;;;"Bai P, Wang K, Zhang P, Shi J, Cheng X, Zhang Q, Zheng C, Cheng Y, Yang J, Lu X, Sang Z.: Development of chalcone-O-alkylamine derivatives as multifunctional agents against Alzheimer's disease. Eur J Med Chem, Volume 183, 2019";ChEMBL
Theophylline;MM00048;Cn1c(=O)c2[nH]cnc2n(C)c1=O;ZFXYFBGIUFBOJW-UHFFFAOYSA-N;180.17;-1.04;2153;DB00277;TEP;CHEMBL190;BBB;EPAM;25;0;"<a href=https://www.ebi.ac.uk/chembl/assay_report_card/CHEMBL4314272/  target=_blank>CHEMBL4314272</a>";;;;;;;;;-6.92;;;;;;;;;;;;"Bai P, Wang K, Zhang P, Shi J, Cheng X, Zhang Q, Zheng C, Cheng Y, Yang J, Lu X, Sang Z.: Development of chalcone-O-alkylamine derivatives as multifunctional agents against Alzheimer's disease. Eur J Med Chem, Volume 183, 2019";ChEMBL
Theophylline;MM00048;Cn1c(=O)c2[nH]cnc2n(C)c1=O;ZFXYFBGIUFBOJW-UHFFFAOYSA-N;180.17;-1.04;2153;DB00277;TEP;CHEMBL190;BBB;EPAM;25;0;"<a href=https://www.ebi.ac.uk/chembl/assay_report_card/CHEMBL4032168/  target=_blank>CHEMBL4032168</a>";;;;;;;;;-6.82;;;;;;;;;;;;"Do HT, Wang HY, Li H, Chreifi G, Poulos TL, Silverman RB.: Improvement of Cell Permeability of Human Neuronal Nitric Oxide Synthase Inhibitors Using Potent and Selective 2-Aminopyridine-Based Scaffolds with a Fluorobenzene Linker. J Med Chem, Volume 60 (22), 2017";ChEMBL
Theophylline;MM00048;Cn1c(=O)c2[nH]cnc2n(C)c1=O;ZFXYFBGIUFBOJW-UHFFFAOYSA-N;180.17;-1.04;2153;DB00277;TEP;CHEMBL190;BBB;EPAM;25;0;"<a href=https://www.ebi.ac.uk/chembl/assay_report_card/CHEMBL4032169/  target=_blank>CHEMBL4032169</a>";;;;;;;;;-6.92;;;;;;;;;;;;"Do HT, Wang HY, Li H, Chreifi G, Poulos TL, Silverman RB.: Improvement of Cell Permeability of Human Neuronal Nitric Oxide Synthase Inhibitors Using Potent and Selective 2-Aminopyridine-Based Scaffolds with a Fluorobenzene Linker. J Med Chem, Volume 60 (22), 2017";ChEMBL
MM471083;MM471083;Cc1cccc2c(=O)n(-c3ccccc3Br)c(=S)[nH]c12;JHZBCNBXKITSRK-UHFFFAOYSA-N;347.24;4.12;;;;;BBB;EPAM;25;0;"<a href=https://www.ebi.ac.uk/chembl/assay_report_card/CHEMBL1929957/  target=_blank>CHEMBL1929957</a>";;;;;;;;;-4.62;;;;;;;;;;;;"Redondo M, Zarruk JG, Ceballos P, Pérez DI, Pérez C, Perez-Castillo A, Moro MA, Brea J, Val C, Cadavid MI, Loza MI, Campillo NE, Martínez A, Gil C.: Neuroprotective efficacy of quinazoline type phosphodiesterase 7 inhibitors in cellular cultures and experimental stroke model. Eur J Med Chem, Volume 47 (1), 2012";ChEMBL
MM471084;MM471084;S=c1[nH]c2ccccc2c(=S)n1-c1ccccc1;DJJOAJCVIYRELX-UHFFFAOYSA-N;270.38;4.42;;;;;BBB;EPAM;25;0;"<a href=https://www.ebi.ac.uk/chembl/assay_report_card/CHEMBL1929957/  target=_blank>CHEMBL1929957</a>";;;;;;;;;-4.62;;;;;;;;;;;;"Redondo M, Zarruk JG, Ceballos P, Pérez DI, Pérez C, Perez-Castillo A, Moro MA, Brea J, Val C, Cadavid MI, Loza MI, Campillo NE, Martínez A, Gil C.: Neuroprotective efficacy of quinazoline type phosphodiesterase 7 inhibitors in cellular cultures and experimental stroke model. Eur J Med Chem, Volume 47 (1), 2012";ChEMBL
MM471253;MM471253;CC(NC(=O)C(CC(=O)N1CCC(N2CCCCC2)CC1)N1C(=O)C(N2C(=O)OCC2c2ccccc2)C1C=Cc1cccc(I)c1)c1ccccc1;VBXHSGJTMUBAJO-AFAPVMNMSA-N;829.78;6.19;57399933;;;CHEMBL1940586;BBB;EPAM;25;0;"<a href=https://www.ebi.ac.uk/chembl/assay_report_card/CHEMBL1942980/  target=_blank>CHEMBL1942980</a>";;;;;;;;;-5.66;;;;;;;;;;;;"Fabio K, Guillon C, Lacey CJ, Lu SF, Heindel ND, Ferris CF, Placzek M, Jones G, Brownstein MJ, Simon NG.: Synthesis and evaluation of potent and selective human V1a receptor antagonists as potential ligands for PET or SPECT imaging. Bioorg Med Chem, Volume 20 (3), 2012";ChEMBL
MM471254;MM471254;C[C@@H](NC(=O)[C@@H](CC(=O)N1CCC(N2CCCCC2)CC1)N1C(=O)[C@@H](N2C(=O)OC[C@@H]2c2ccccc2)[C@H]1/C=C/c1cccc(F)c1)c1ccccc1;OLXUIYYQOXRLQS-AFAPVMNMSA-N;721.87;5.72;;;;;BBB;EPAM;25;0;"<a href=https://www.ebi.ac.uk/chembl/assay_report_card/CHEMBL1942980/  target=_blank>CHEMBL1942980</a>";;;;;;;;;-5.28;;;;;;;;;;;;"Fabio K, Guillon C, Lacey CJ, Lu SF, Heindel ND, Ferris CF, Placzek M, Jones G, Brownstein MJ, Simon NG.: Synthesis and evaluation of potent and selective human V1a receptor antagonists as potential ligands for PET or SPECT imaging. Bioorg Med Chem, Volume 20 (3), 2012";ChEMBL
MM471255;MM471255;Cc1cccc(C=CC2C(N3C(=O)OCC3c3ccccc3)C(=O)N2C(CC(=O)N2CCC(N3CCCCC3)CC2)C(=O)NC(C)c2ccccc2)c1;POVCGZXXAPOAIT-OGLIIGCHSA-N;717.91;5.89;57394727;;;CHEMBL1940588;BBB;EPAM;25;0;"<a href=https://www.ebi.ac.uk/chembl/assay_report_card/CHEMBL1942980/  target=_blank>CHEMBL1942980</a>";;;;;;;;;-5.35;;;;;;;;;;;;"Fabio K, Guillon C, Lacey CJ, Lu SF, Heindel ND, Ferris CF, Placzek M, Jones G, Brownstein MJ, Simon NG.: Synthesis and evaluation of potent and selective human V1a receptor antagonists as potential ligands for PET or SPECT imaging. Bioorg Med Chem, Volume 20 (3), 2012";ChEMBL
MM471248;MM471248;COc1ccc2[nH]cc(CCNC(=O)CCCCCNc3c4c(nc5ccccc35)CCCC4)c2c1;BGQKPFJETYONAB-UHFFFAOYSA-N;484.64;5.93;11569290;;;CHEMBL199454;BBB;EPAM;25;0;"<a href=https://www.ebi.ac.uk/chembl/assay_report_card/CHEMBL862279/  target=_blank>CHEMBL862279</a>";;;;;;;;;-5.11;;;;;;;;;;;;"Rodríguez-Franco MI, Fernández-Bachiller MI, Pérez C, Hernández-Ledesma B, Bartolomé B.: Novel tacrine-melatonin hybrids as dual-acting drugs for Alzheimer disease, with improved acetylcholinesterase inhibitory and antioxidant properties. J Med Chem, Volume 49 (2), 2006";ChEMBL
MM471249;MM471249;O=C(CCCCCNc1c2c(nc3cc(Cl)cc(Cl)c13)CCCC2)NCCc1c[nH]c2ccccc12;XUNDGPOBBOBIHO-UHFFFAOYSA-N;523.51;7.23;11555885;;;CHEMBL199538;BBB;EPAM;25;0;"<a href=https://www.ebi.ac.uk/chembl/assay_report_card/CHEMBL862279/  target=_blank>CHEMBL862279</a>";;;;;;;;;-5.08;;;;;;;;;;;;"Rodríguez-Franco MI, Fernández-Bachiller MI, Pérez C, Hernández-Ledesma B, Bartolomé B.: Novel tacrine-melatonin hybrids as dual-acting drugs for Alzheimer disease, with improved acetylcholinesterase inhibitory and antioxidant properties. J Med Chem, Volume 49 (2), 2006";ChEMBL
MM471252;MM471252;O=C(CCCCCCNc1c2c(nc3ccccc13)CCCC2)NCCc1c[nH]c2ccccc12;XHISNFCRWZVULB-UHFFFAOYSA-N;468.65;6.32;11620371;;;CHEMBL199670;BBB;EPAM;25;0;"<a href=https://www.ebi.ac.uk/chembl/assay_report_card/CHEMBL862279/  target=_blank>CHEMBL862279</a>";;;;;;;;;-5.04;;;;;;;;;;;;"Rodríguez-Franco MI, Fernández-Bachiller MI, Pérez C, Hernández-Ledesma B, Bartolomé B.: Novel tacrine-melatonin hybrids as dual-acting drugs for Alzheimer disease, with improved acetylcholinesterase inhibitory and antioxidant properties. J Med Chem, Volume 49 (2), 2006";ChEMBL
MM471246;MM471246;COc1ccc2[nH]cc(CCNC(=O)CCCCCNc3c4c(nc5cc(Cl)ccc35)CCCC4)c2c1;MQAYMGGTPIYIHD-UHFFFAOYSA-N;519.09;6.59;11555824;;;CHEMBL199748;BBB;EPAM;25;0;"<a href=https://www.ebi.ac.uk/chembl/assay_report_card/CHEMBL862279/  target=_blank>CHEMBL862279</a>";;;;;;;;;-5.1;;;;;;;;;;;;"Rodríguez-Franco MI, Fernández-Bachiller MI, Pérez C, Hernández-Ledesma B, Bartolomé B.: Novel tacrine-melatonin hybrids as dual-acting drugs for Alzheimer disease, with improved acetylcholinesterase inhibitory and antioxidant properties. J Med Chem, Volume 49 (2), 2006";ChEMBL
MM471243;MM471243;O=C(CCCCCNc1c2c(nc3ccccc13)CCCC2)NCCc1c[nH]c2ccccc12;FKFJZGFHHCYXOR-UHFFFAOYSA-N;454.62;5.93;11590581;;;CHEMBL199861;BBB;EPAM;25;0;"<a href=https://www.ebi.ac.uk/chembl/assay_report_card/CHEMBL862279/  target=_blank>CHEMBL862279</a>";;;;;;;;;-4.96;;;;;;;;;;;;"Rodríguez-Franco MI, Fernández-Bachiller MI, Pérez C, Hernández-Ledesma B, Bartolomé B.: Novel tacrine-melatonin hybrids as dual-acting drugs for Alzheimer disease, with improved acetylcholinesterase inhibitory and antioxidant properties. J Med Chem, Volume 49 (2), 2006";ChEMBL
MM471245;MM471245;COc1ccc2[nH]cc(CCNC(=O)CCCCCNc3c4c(nc5cccc(Cl)c35)CCCC4)c2c1;LSGATBLIVMZRBG-UHFFFAOYSA-N;519.09;6.59;11555826;;;CHEMBL200008;BBB;EPAM;25;0;"<a href=https://www.ebi.ac.uk/chembl/assay_report_card/CHEMBL862279/  target=_blank>CHEMBL862279</a>";;;;;;;;;-5.05;;;;;;;;;;;;"Rodríguez-Franco MI, Fernández-Bachiller MI, Pérez C, Hernández-Ledesma B, Bartolomé B.: Novel tacrine-melatonin hybrids as dual-acting drugs for Alzheimer disease, with improved acetylcholinesterase inhibitory and antioxidant properties. J Med Chem, Volume 49 (2), 2006";ChEMBL
MM471250;MM471250;O=C(CCCCCNc1c2c(nc3cccc(Cl)c13)CCCC2)NCCc1c[nH]c2ccccc12;SZRNKXYBFFECAE-UHFFFAOYSA-N;489.06;6.58;11606144;;;CHEMBL202661;BBB;EPAM;25;0;"<a href=https://www.ebi.ac.uk/chembl/assay_report_card/CHEMBL862279/  target=_blank>CHEMBL862279</a>";;;;;;;;;-5.28;;;;;;;;;;;;"Rodríguez-Franco MI, Fernández-Bachiller MI, Pérez C, Hernández-Ledesma B, Bartolomé B.: Novel tacrine-melatonin hybrids as dual-acting drugs for Alzheimer disease, with improved acetylcholinesterase inhibitory and antioxidant properties. J Med Chem, Volume 49 (2), 2006";ChEMBL
MM471256;MM471256;COc1cc(COC(=O)c2ccc(-c3ccccc3)o2)cc(OC)c1OC;OBCOHPZTBGFKMG-UHFFFAOYSA-N;368.39;4.33;57385767;;;CHEMBL2041596;BBB;EPAM;25;0;"<a href=https://www.ebi.ac.uk/chembl/assay_report_card/CHEMBL2045532/  target=_blank>CHEMBL2045532</a>";;;;;;;;;-5.09;;;;;;;;;;;;"Redondo M, Brea J, Perez DI, Soteras I, Val C, Perez C, Morales-García JA, Alonso-Gil S, Paul-Fernandez N, Martin-Alvarez R, Cadavid MI, Loza MI, Perez-Castillo A, Mengod G, Campillo NE, Martinez A, Gil C.: Effect of phosphodiesterase 7 (PDE7) inhibitors in experimental autoimmune encephalomyelitis mice. Discovery of a new chemically diverse family of compounds. J Med Chem, Volume 55 (7), 2012";ChEMBL
MM471096;MM471096;COc1cc2c(cc1O)CN1CCC23C=CC(O)CC13;TZTBAJFJEZRQCV-RLCCDNCMSA-N;273.33;1.55;443683;;;CHEMBL2087242;BBB;EPAM;25;0;"<a href=https://www.ebi.ac.uk/chembl/assay_report_card/CHEMBL3587321/  target=_blank>CHEMBL3587321</a>";;;;;;;;;-6.15;;;;;;;;;;;;"Cahlíková L, Pérez DI, Štěpánková Š, Chlebek J, Šafratová M, Hošt'álková A, Opletal L.: In Vitro Inhibitory Effects of 8-O-Demethylmaritidine and Undulatine on Acetylcholinesterase and Their Predicted Penetration across the Blood-Brain Barrier. J Nat Prod, Volume 78 (6), 2015";ChEMBL
MM471053;MM471053;COc1cc2c(cc1OC)C1C(C)c3ccc(OC)c(OC)c3CN1CC2;VRSRXLJTYQVOHC-YEJXKQKISA-N;369.46;3.94;101301;;;CHEMBL2165401;BBB;EPAM;25;0;"<a href=https://www.ebi.ac.uk/chembl/assay_report_card/CHEMBL2340727/  target=_blank>CHEMBL2340727</a>";;;;;;;;;-4.93;;;;;;;;;;;;"Könczöl A, Müller J, Földes E, Béni Z, Végh K, Kéry A, Balogh GT, Balogh GT.: Applicability of a blood-brain barrier specific artificial membrane permeability assay at the early stage of natural product-based CNS drug discovery. J Nat Prod, Volume 76 (4), 2013";ChEMBL
MM471057;MM471057;COC(=O)C1=COC(C)C2CN3CCC4(C(=O)Nc5c4ccc(OC)c5OC)C3CC12;TTZWEOINXHJHCY-UHJVZONPSA-N;428.49;2.08;21627963;;;CHEMBL2333535;BBB;EPAM;25;0;"<a href=https://www.ebi.ac.uk/chembl/assay_report_card/CHEMBL2340727/  target=_blank>CHEMBL2340727</a>";;;;;;;;;-5.05;;;;;;;;;;;;"Könczöl A, Müller J, Földes E, Béni Z, Végh K, Kéry A, Balogh GT, Balogh GT.: Applicability of a blood-brain barrier specific artificial membrane permeability assay at the early stage of natural product-based CNS drug discovery. J Nat Prod, Volume 76 (4), 2013";ChEMBL
MM471056;MM471056;CC(C)c1cc2c(c(O)c1O)C13CCCC(C)(C)C1C(O)C2OC3=O;UXVPWKDITRJELA-WWNBULGVSA-N;346.42;3.26;13820510;;;CHEMBL2333536;BBB;EPAM;25;0;"<a href=https://www.ebi.ac.uk/chembl/assay_report_card/CHEMBL2340727/  target=_blank>CHEMBL2340727</a>";;;;;;;;;-5.32;;;;;;;;;;;;"Könczöl A, Müller J, Földes E, Béni Z, Végh K, Kéry A, Balogh GT, Balogh GT.: Applicability of a blood-brain barrier specific artificial membrane permeability assay at the early stage of natural product-based CNS drug discovery. J Nat Prod, Volume 76 (4), 2013";ChEMBL
MM471055;MM471055;COC(=O)C12CCCC(C)(C)C1CCc1cc(C(C)C)c(O)c(O)c12;IIJLVJMZYPZQLW-YCRPNKLZSA-N;346.47;4.4;11336941;;;CHEMBL2333537;BBB;EPAM;25;0;"<a href=https://www.ebi.ac.uk/chembl/assay_report_card/CHEMBL2340727/  target=_blank>CHEMBL2340727</a>";;;;;;;;;-4.96;;;;;;;;;;;;"Könczöl A, Müller J, Földes E, Béni Z, Végh K, Kéry A, Balogh GT, Balogh GT.: Applicability of a blood-brain barrier specific artificial membrane permeability assay at the early stage of natural product-based CNS drug discovery. J Nat Prod, Volume 76 (4), 2013";ChEMBL
Atenolol;MM00078;CC(C)NCC(O)COc1ccc(CC(N)=O)cc1;METKIMKYRPQLGS-GFCCVEGCSA-N;266.34;0.45;2249;DB00335;;CHEMBL24;BBB;EPAM;25;0;"<a href=https://www.ebi.ac.uk/chembl/assay_report_card/CHEMBL4180912/  target=_blank>CHEMBL4180912</a>";;;;;;;;;-6.31;;;;;;;;;;;;"Ma T, Zou F, Pusch S, Yang L, Zhu Q, Xu Y, Gu Y, von Deimling A, Zha X.: Design, synthesis and biological activity of 3-pyrazine-2-yl-oxazolidin-2-ones as novel, potent and selective inhibitors of mutant isocitrate dehydrogenase 1. Bioorg Med Chem, Volume 25 (24), 2017";ChEMBL
Atenolol;MM00078;CC(C)NCC(O)COc1ccc(CC(N)=O)cc1;METKIMKYRPQLGS-GFCCVEGCSA-N;266.34;0.45;2249;DB00335;;CHEMBL24;BBB;EPAM;25;0;"<a href=https://www.ebi.ac.uk/chembl/assay_report_card/CHEMBL4184799/  target=_blank>CHEMBL4184799</a>";;;;;;;;;-6.31;;;;;;;;;;;;"Zou F, Pusch S, Hua J, Ma T, Yang L, Zhu Q, Xu Y, Gu Y, von Deimling A, Zha X.: Identification of novel allosteric inhibitors of mutant isocitrate dehydrogenase 1 by cross docking-based virtual screening. Bioorg Med Chem Lett, Volume 28 (3), 2018";ChEMBL
Atenolol;MM00078;CC(C)NCC(O)COc1ccc(CC(N)=O)cc1;METKIMKYRPQLGS-GFCCVEGCSA-N;266.34;0.45;2249;DB00335;;CHEMBL24;BBB;EPAM;25;0;"<a href=https://www.ebi.ac.uk/chembl/assay_report_card/CHEMBL1929957/  target=_blank>CHEMBL1929957</a>";;;;;;;;;-6.4;;;;;;;;;;;;"Redondo M, Zarruk JG, Ceballos P, Pérez DI, Pérez C, Perez-Castillo A, Moro MA, Brea J, Val C, Cadavid MI, Loza MI, Campillo NE, Martínez A, Gil C.: Neuroprotective efficacy of quinazoline type phosphodiesterase 7 inhibitors in cellular cultures and experimental stroke model. Eur J Med Chem, Volume 47 (1), 2012";ChEMBL
Atenolol;MM00078;CC(C)NCC(O)COc1ccc(CC(N)=O)cc1;METKIMKYRPQLGS-GFCCVEGCSA-N;266.34;0.45;2249;DB00335;;CHEMBL24;BBB;EPAM;25;0;"<a href=https://www.ebi.ac.uk/chembl/assay_report_card/CHEMBL3372306/  target=_blank>CHEMBL3372306</a>";;;;;;;;;-6.11;;;;;;;;;;;;"Huang L, Miao H, Sun Y, Meng F, Li X.: Discovery of indanone derivatives as multi-target-directed ligands against Alzheimer's disease. Eur J Med Chem, Volume 87, 2014";ChEMBL
Atenolol;MM00078;CC(C)NCC(O)COc1ccc(CC(N)=O)cc1;METKIMKYRPQLGS-GFCCVEGCSA-N;266.34;0.45;2249;DB00335;;CHEMBL24;BBB;EPAM;25;0;"<a href=https://www.ebi.ac.uk/chembl/assay_report_card/CHEMBL3587320/  target=_blank>CHEMBL3587320</a>";;;;;;;;;-6.1;;;;;;;;;;;;"Cahlíková L, Pérez DI, Štěpánková Š, Chlebek J, Šafratová M, Hošt'álková A, Opletal L.: In Vitro Inhibitory Effects of 8-O-Demethylmaritidine and Undulatine on Acetylcholinesterase and Their Predicted Penetration across the Blood-Brain Barrier. J Nat Prod, Volume 78 (6), 2015";ChEMBL
Atenolol;MM00078;CC(C)NCC(O)COc1ccc(CC(N)=O)cc1;METKIMKYRPQLGS-GFCCVEGCSA-N;266.34;0.45;2249;DB00335;;CHEMBL24;BBB;EPAM;25;0;"<a href=https://www.ebi.ac.uk/chembl/assay_report_card/CHEMBL3587321/  target=_blank>CHEMBL3587321</a>";;;;;;;;;-7;;;;;;;;;;;;"Cahlíková L, Pérez DI, Štěpánková Š, Chlebek J, Šafratová M, Hošt'álková A, Opletal L.: In Vitro Inhibitory Effects of 8-O-Demethylmaritidine and Undulatine on Acetylcholinesterase and Their Predicted Penetration across the Blood-Brain Barrier. J Nat Prod, Volume 78 (6), 2015";ChEMBL
MM471288;MM471288;O=C1CCc2ccc(OCc3cccc(Br)c3)cc2N1;MHQJPPPGGALWQB-UHFFFAOYSA-N;332.2;3.91;72191364;;;CHEMBL2430707;BBB;EPAM;25;0;"<a href=https://www.ebi.ac.uk/chembl/assay_report_card/CHEMBL3863409/  target=_blank>CHEMBL3863409</a>";;;;;;;;;-5.05;;;;;;;;;;;;"Wang Z, Wu J, Yang X, Cai P, Liu Q, Wang KDG, Kong L, Wang X.: Neuroprotective effects of benzyloxy substituted small molecule monoamine oxidase B inhibitors in Parkinson's disease. Bioorg Med Chem, Volume 24 (22), 2016";ChEMBL
MM471257;MM471257;COc1cc2nc(C3CC3)nc(N3CCN(c4ccccc4OC)CC3)c2cc1OC;SWEOAXMICIJCQC-UHFFFAOYSA-N;420.51;3.86;53245590;;;CHEMBL2431120;BBB;EPAM;25;0;"<a href=https://www.ebi.ac.uk/chembl/assay_report_card/CHEMBL2433247/  target=_blank>CHEMBL2433247</a>";;;;;;;;;-3.4;;;;;;;;;;;;"Peddibhotla S, Hedrick MP, Hershberger P, Maloney PR, Li Y, Milewski M, Gosalia P, Gray W, Mehta A, Sugarman E, Hood B, Suyama E, Nguyen K, Heynen-Genel S, Vasile S, Salaniwal S, Stonich D, Su Y, Mangravita-Novo A, Vicchiarelli M, Roth GP, Smith LH, Chung TD, Hanson GR, Thomas JB, Caron MG, Barak LS, Pinkerton AB.: Discovery of ML314, a Brain Penetrant Non-Peptidic β-Arrestin Biased Agonist of the Neurotensin NTR1 Receptor. ACS Med Chem Lett, Volume 4 (9), 2013";ChEMBL
MM471089;MM471089;CCCCCC=CC(=O)CCc1ccc(O)c(OC)c1;OQWKEEOHDMUXEO-BQYQJAHWSA-N;276.38;4.04;5281794;;;CHEMBL25948;BBB;EPAM;25;0;"<a href=https://www.ebi.ac.uk/chembl/assay_report_card/CHEMBL3366747/  target=_blank>CHEMBL3366747</a>";;;;;;;;;-4.83;;;;;;;;;;;;"Pérez-Areales FJ, Di Pietro O, Espargaró A, Vallverdú-Queralt A, Galdeano C, Ragusa IM, Viayna E, Guillou C, Clos MV, Pérez B, Sabaté R, Lamuela-Raventós RM, Luque FJ, Muñoz-Torrero D.: Shogaol-huprine hybrids: dual antioxidant and anticholinesterase agents with β-amyloid and tau anti-aggregating properties. Bioorg Med Chem, Volume 22 (19), 2014";ChEMBL
Propranolol;MM00085;CC(C)NCC(O)COc1cccc2ccccc12;AQHHHDLHHXJYJD-UHFFFAOYSA-N;259.35;2.58;4946;DB00571;;CHEMBL27;BBB;EPAM;25;0;"<a href=https://www.ebi.ac.uk/chembl/assay_report_card/CHEMBL3406583/  target=_blank>CHEMBL3406583</a>";;;;;;;;;-3.5;;;;;;;;;;;;"Więckowska A, Więckowski K, Bajda M, Brus B, Sałat K, Czerwińska P, Gobec S, Filipek B, Malawska B.: Synthesis of new N-benzylpiperidine derivatives as cholinesterase inhibitors with β-amyloid anti-aggregation properties and beneficial effects on memory in vivo. Bioorg Med Chem, Volume 23 (10), 2015";ChEMBL
Propranolol;MM00085;CC(C)NCC(O)COc1cccc2ccccc12;AQHHHDLHHXJYJD-UHFFFAOYSA-N;259.35;2.58;4946;DB00571;;CHEMBL27;BBB;EPAM;25;0;"<a href=https://www.ebi.ac.uk/chembl/assay_report_card/CHEMBL3875283/  target=_blank>CHEMBL3875283</a>";;;;;;;;;-3.7;;;;;;;;;;;;"Więckowska A, Kołaczkowski M, Bucki A, Godyń J, Marcinkowska M, Więckowski K, Zaręba P, Siwek A, Kazek G, Głuch-Lutwin M, Mierzejewski P, Bienkowski P, Sienkiewicz-Jarosz H, Knez D, Wichur T, Gobec S, Malawska B.: Novel multi-target-directed ligands for Alzheimer's disease: Combining cholinesterase inhibitors and 5-HT<sub>6</sub> receptor antagonists. Design, synthesis and biological evaluation. Eur J Med Chem, Volume 124, 2016";ChEMBL
Propranolol;MM00085;CC(C)NCC(O)COc1cccc2ccccc12;AQHHHDLHHXJYJD-UHFFFAOYSA-N;259.35;2.58;4946;DB00571;;CHEMBL27;BBB;EPAM;25;0;"<a href=https://www.ebi.ac.uk/chembl/assay_report_card/CHEMBL3811078/  target=_blank>CHEMBL3811078</a>";;;;;;;;;-5.07;;;;;;;;;;;;"Guillemyn K, Starnowska J, Lagard C, Dyniewicz J, Rojewska E, Mika J, Chung NN, Utard V, Kosson P, Lipkowski AW, Chevillard L, Arranz-Gibert P, Teixidó M, Megarbane B, Tourwé D, Simonin F, Przewlocka B, Schiller PW, Ballet S.: Bifunctional Peptide-Based Opioid Agonist-Nociceptin Antagonist Ligands for Dual Treatment of Acute and Neuropathic Pain. J Med Chem, Volume 59 (8), 2016";ChEMBL
Aldosterone;MM00327;CC12CCC(=O)C=C1CCC1C2C(O)CC2(C=O)C(C(=O)CO)CCC12;PQSUYGKTWSAVDQ-ZVIOFETBSA-N;360.45;1.85;5839;DB04630;AS4;CHEMBL273453;BBB;EPAM;25;0;"<a href=https://www.ebi.ac.uk/chembl/assay_report_card/CHEMBL4268507/  target=_blank>CHEMBL4268507</a>";;;;;;;;;-6;;;;;;;;;;;;"Reis J, Cagide F, Valencia ME, Teixeira J, Bagetta D, Pérez C, Uriarte E, Oliveira PJ, Ortuso F, Alcaro S, Rodríguez-Franco MI, Borges F.: Multi-target-directed ligands for Alzheimer's disease: Discovery of chromone-based monoamine oxidase/cholinesterase inhibitors. Eur J Med Chem, Volume 158, 2018";ChEMBL
Aldosterone;MM00327;CC12CCC(=O)C=C1CCC1C2C(O)CC2(C=O)C(C(=O)CO)CCC12;PQSUYGKTWSAVDQ-ZVIOFETBSA-N;360.45;1.85;5839;DB04630;AS4;CHEMBL273453;BBB;EPAM;25;0;"<a href=https://www.ebi.ac.uk/chembl/assay_report_card/CHEMBL4268508/  target=_blank>CHEMBL4268508</a>";;;;;;;;;-5.92;;;;;;;;;;;;"Reis J, Cagide F, Valencia ME, Teixeira J, Bagetta D, Pérez C, Uriarte E, Oliveira PJ, Ortuso F, Alcaro S, Rodríguez-Franco MI, Borges F.: Multi-target-directed ligands for Alzheimer's disease: Discovery of chromone-based monoamine oxidase/cholinesterase inhibitors. Eur J Med Chem, Volume 158, 2018";ChEMBL
MM471191;MM471191;Nc1c2c(nc3cc(Cl)ccc13)CCCC2;GQZMDBQRGRRPMS-UHFFFAOYSA-N;232.71;3.35;10399068;;;CHEMBL292314;BBB;EPAM;25;0;"<a href=https://www.ebi.ac.uk/chembl/assay_report_card/CHEMBL4307308/  target=_blank>CHEMBL4307308</a>";;;;;;;;;-4.7;;;;;;;;;;;;"Pérez-Areales FJ, Turcu AL, Barniol-Xicota M, Pont C, Pivetta D, Espargaró A, Bartolini M, De Simone A, Andrisano V, Pérez B, Sabate R, Sureda FX, Vázquez S, Muñoz-Torrero D.: A novel class of multitarget anti-Alzheimer benzohomoadamantane‒chlorotacrine hybrids modulating cholinesterases and glutamate NMDA receptors. Eur J Med Chem, Volume 180, 2019";ChEMBL
Astemizole;MM00448;COc1ccc(CCN2CCC(Nc3nc4ccccc4n3Cc3ccc(F)cc3)CC2)cc1;GXDALQBWZGODGZ-UHFFFAOYSA-N;458.58;5.35;2247;DB00637;;CHEMBL296419;BBB;EPAM;25;0;"<a href=https://www.ebi.ac.uk/chembl/assay_report_card/CHEMBL4142614/  target=_blank>CHEMBL4142614</a>";;;;;;;;;-5.07;;;;;;;;;;;;"Xu YX, Wang H, Li XK, Dong SN, Liu WW, Gong Q, Wang TD, Tang Y, Zhu J, Li J, Zhang HY, Mao F.: Discovery of novel propargylamine-modified 4-aminoalkyl imidazole substituted pyrimidinylthiourea derivatives as multifunctional agents for the treatment of Alzheimer's disease. Eur J Med Chem, Volume 143, 2018";ChEMBL
Cimetidine;MM00463;CN=C(NC#N)NCCSCc1nc[nH]c1C;AQIXAKUUQRKLND-UHFFFAOYSA-N;252.35;0.6;2756;DB00501;;CHEMBL30;BBB;EPAM;25;0;"<a href=https://www.ebi.ac.uk/chembl/assay_report_card/CHEMBL3366747/  target=_blank>CHEMBL3366747</a>";;;;;;;;;-6.15;;;;;;;;;;;;"Pérez-Areales FJ, Di Pietro O, Espargaró A, Vallverdú-Queralt A, Galdeano C, Ragusa IM, Viayna E, Guillou C, Clos MV, Pérez B, Sabaté R, Lamuela-Raventós RM, Luque FJ, Muñoz-Torrero D.: Shogaol-huprine hybrids: dual antioxidant and anticholinesterase agents with β-amyloid and tau anti-aggregating properties. Bioorg Med Chem, Volume 22 (19), 2014";ChEMBL
Cimetidine;MM00463;CN=C(NC#N)NCCSCc1nc[nH]c1C;AQIXAKUUQRKLND-UHFFFAOYSA-N;252.35;0.6;2756;DB00501;;CHEMBL30;BBB;EPAM;25;0;"<a href=https://www.ebi.ac.uk/chembl/assay_report_card/CHEMBL4307308/  target=_blank>CHEMBL4307308</a>";;;;;;;;;-6.15;;;;;;;;;;;;"Pérez-Areales FJ, Turcu AL, Barniol-Xicota M, Pont C, Pivetta D, Espargaró A, Bartolini M, De Simone A, Andrisano V, Pérez B, Sabate R, Sureda FX, Vázquez S, Muñoz-Torrero D.: A novel class of multitarget anti-Alzheimer benzohomoadamantane‒chlorotacrine hybrids modulating cholinesterases and glutamate NMDA receptors. Eur J Med Chem, Volume 180, 2019";ChEMBL
MM471263;MM471263;CCOC(=O)c1ccc2nc(-c3ccc(Cl)cc3)c3c(c2c1)N(Cc1ccc(OC)cc1)CCC3;QRHCYMJDPGJISK-UHFFFAOYSA-N;487;6.69;;;;;BBB;EPAM;25;0;"<a href=https://www.ebi.ac.uk/chembl/assay_report_card/CHEMBL3123849/  target=_blank>CHEMBL3123849</a>";;;;;;;;;-4.59;;;;;;;;;;;;"Di Pietro O, Viayna E, Vicente-García E, Bartolini M, Ramón R, Juárez-Jiménez J, Clos MV, Pérez B, Andrisano V, Luque FJ, Lavilla R, Muñoz-Torrero D.: 1,2,3,4-Tetrahydrobenzo[h][1,6]naphthyridines as a new family of potent peripheral-to-midgorge-site inhibitors of acetylcholinesterase: synthesis, pharmacological evaluation and mechanistic studies. Eur J Med Chem, Volume 73, 2014";ChEMBL
MM471262;MM471262;CCNC(=O)c1ccc2nc(-c3ccc(Cl)cc3)c3c(c2c1)N(Cc1ccccc1)CCC3;JZHJADLDLNMVKV-UHFFFAOYSA-N;455.99;6.26;;;;;BBB;EPAM;25;0;"<a href=https://www.ebi.ac.uk/chembl/assay_report_card/CHEMBL3123849/  target=_blank>CHEMBL3123849</a>";;;;;;;;;-5.11;;;;;;;;;;;;"Di Pietro O, Viayna E, Vicente-García E, Bartolini M, Ramón R, Juárez-Jiménez J, Clos MV, Pérez B, Andrisano V, Luque FJ, Lavilla R, Muñoz-Torrero D.: 1,2,3,4-Tetrahydrobenzo[h][1,6]naphthyridines as a new family of potent peripheral-to-midgorge-site inhibitors of acetylcholinesterase: synthesis, pharmacological evaluation and mechanistic studies. Eur J Med Chem, Volume 73, 2014";ChEMBL
MM471261;MM471261;CCOC(=O)c1ccc2nc(-c3cccnc3)c3c(c2c1)NCCC3;CAYLLNNRKRSNSP-UHFFFAOYSA-N;333.39;3.83;;;;;BBB;EPAM;25;0;"<a href=https://www.ebi.ac.uk/chembl/assay_report_card/CHEMBL3123849/  target=_blank>CHEMBL3123849</a>";;;;;;;;;-4.84;;;;;;;;;;;;"Di Pietro O, Viayna E, Vicente-García E, Bartolini M, Ramón R, Juárez-Jiménez J, Clos MV, Pérez B, Andrisano V, Luque FJ, Lavilla R, Muñoz-Torrero D.: 1,2,3,4-Tetrahydrobenzo[h][1,6]naphthyridines as a new family of potent peripheral-to-midgorge-site inhibitors of acetylcholinesterase: synthesis, pharmacological evaluation and mechanistic studies. Eur J Med Chem, Volume 73, 2014";ChEMBL
MM471260;MM471260;CCNC(=O)c1ccc2nc(-c3ccc(Cl)cc3)c3c(c2c1)NCCC3;KBNHGKIAHMMUCH-UHFFFAOYSA-N;365.86;4.66;;;;;BBB;EPAM;25;0;"<a href=https://www.ebi.ac.uk/chembl/assay_report_card/CHEMBL3123849/  target=_blank>CHEMBL3123849</a>";;;;;;;;;-4.64;;;;;;;;;;;;"Di Pietro O, Viayna E, Vicente-García E, Bartolini M, Ramón R, Juárez-Jiménez J, Clos MV, Pérez B, Andrisano V, Luque FJ, Lavilla R, Muñoz-Torrero D.: 1,2,3,4-Tetrahydrobenzo[h][1,6]naphthyridines as a new family of potent peripheral-to-midgorge-site inhibitors of acetylcholinesterase: synthesis, pharmacological evaluation and mechanistic studies. Eur J Med Chem, Volume 73, 2014";ChEMBL
MM471259;MM471259;CCNCc1ccc2nc(-c3ccc(Cl)cc3)c3c(c2c1)NCCC3;SHQNSNOQZLYJOO-UHFFFAOYSA-N;351.88;5.02;;;;;BBB;EPAM;25;0;"<a href=https://www.ebi.ac.uk/chembl/assay_report_card/CHEMBL3123849/  target=_blank>CHEMBL3123849</a>";;;;;;;;;-5.25;;;;;;;;;;;;"Di Pietro O, Viayna E, Vicente-García E, Bartolini M, Ramón R, Juárez-Jiménez J, Clos MV, Pérez B, Andrisano V, Luque FJ, Lavilla R, Muñoz-Torrero D.: 1,2,3,4-Tetrahydrobenzo[h][1,6]naphthyridines as a new family of potent peripheral-to-midgorge-site inhibitors of acetylcholinesterase: synthesis, pharmacological evaluation and mechanistic studies. Eur J Med Chem, Volume 73, 2014";ChEMBL
MM471258;MM471258;CCNCc1ccc2nc(-c3cccnc3)c3c(c2c1)NCCC3;HQGPIDRUKNOSLE-UHFFFAOYSA-N;318.42;3.76;;;;;BBB;EPAM;25;0;"<a href=https://www.ebi.ac.uk/chembl/assay_report_card/CHEMBL3123849/  target=_blank>CHEMBL3123849</a>";;;;;;;;;-5.62;;;;;;;;;;;;"Di Pietro O, Viayna E, Vicente-García E, Bartolini M, Ramón R, Juárez-Jiménez J, Clos MV, Pérez B, Andrisano V, Luque FJ, Lavilla R, Muñoz-Torrero D.: 1,2,3,4-Tetrahydrobenzo[h][1,6]naphthyridines as a new family of potent peripheral-to-midgorge-site inhibitors of acetylcholinesterase: synthesis, pharmacological evaluation and mechanistic studies. Eur J Med Chem, Volume 73, 2014";ChEMBL
MM471276;MM471276;O=C1/C(=C/c2ccc(N3CCCCC3)cc2)Oc2cc(O)cc(O)c21;CLZHYFKPLKCUHD-ZDLGFXPLSA-N;337.38;3.7;;;;;BBB;EPAM;25;0;"<a href=https://www.ebi.ac.uk/chembl/assay_report_card/CHEMBL3787917/  target=_blank>CHEMBL3787917</a>";;;;;;;;;-5.18;;;;;;;;;;;;"Li Y, Qiang X, Luo L, Li Y, Xiao G, Tan Z, Deng Y.: Synthesis and evaluation of 4-hydroxyl aurone derivatives as multifunctional agents for the treatment of Alzheimer's disease. Bioorg Med Chem, Volume 24 (10), 2016";ChEMBL
MM471287;MM471287;O=C1CCCc2cc(OCc3ccc(F)cc3)ccc21;OJOVCIYZZGJNJH-UHFFFAOYSA-N;270.3;3.92;;;;;BBB;EPAM;25;0;"<a href=https://www.ebi.ac.uk/chembl/assay_report_card/CHEMBL3863409/  target=_blank>CHEMBL3863409</a>";;;;;;;;;-4.88;;;;;;;;;;;;"Wang Z, Wu J, Yang X, Cai P, Liu Q, Wang KDG, Kong L, Wang X.: Neuroprotective effects of benzyloxy substituted small molecule monoamine oxidase B inhibitors in Parkinson's disease. Bioorg Med Chem, Volume 24 (22), 2016";ChEMBL
MM471085;MM471085;COc1cc(CCC(=O)C=CCCCNc2c3c(nc4cc(Cl)ccc24)CC2CC(C)=CC3C2)ccc1O;XLIOMHFQNGCWAV-GQCTYLIASA-N;531.1;7.55;118720934;;;CHEMBL3355579;BBB;EPAM;25;0;"<a href=https://www.ebi.ac.uk/chembl/assay_report_card/CHEMBL3366747/  target=_blank>CHEMBL3366747</a>";;;;;;;;;-4.93;;;;;;;;;;;;"Pérez-Areales FJ, Di Pietro O, Espargaró A, Vallverdú-Queralt A, Galdeano C, Ragusa IM, Viayna E, Guillou C, Clos MV, Pérez B, Sabaté R, Lamuela-Raventós RM, Luque FJ, Muñoz-Torrero D.: Shogaol-huprine hybrids: dual antioxidant and anticholinesterase agents with β-amyloid and tau anti-aggregating properties. Bioorg Med Chem, Volume 22 (19), 2014";ChEMBL
MM471086;MM471086;COc1cc(CCC(=O)C=Cc2ccc(CNc3c4c(nc5cc(Cl)ccc35)CC3CC(C)=CC4C3)cc2)ccc1O;ANZARKBILMMHER-YRNVUSSQSA-N;579.14;8.43;118720935;;;CHEMBL3355580;BBB;EPAM;25;0;"<a href=https://www.ebi.ac.uk/chembl/assay_report_card/CHEMBL3366747/  target=_blank>CHEMBL3366747</a>";;;;;;;;;-5.19;;;;;;;;;;;;"Pérez-Areales FJ, Di Pietro O, Espargaró A, Vallverdú-Queralt A, Galdeano C, Ragusa IM, Viayna E, Guillou C, Clos MV, Pérez B, Sabaté R, Lamuela-Raventós RM, Luque FJ, Muñoz-Torrero D.: Shogaol-huprine hybrids: dual antioxidant and anticholinesterase agents with β-amyloid and tau anti-aggregating properties. Bioorg Med Chem, Volume 22 (19), 2014";ChEMBL
MM471087;MM471087;COc1cc(CCC(=O)C=Cc2ccc(CNc3c4c(nc5cc(Cl)ccc35)CC3CC(C)=CC4C3)cc2)cc(CN(C)C)c1O;AXRSIKMWRLWTDO-FMIVXFBMSA-N;636.24;8.49;118720936;;;CHEMBL3355581;BBB;EPAM;25;0;"<a href=https://www.ebi.ac.uk/chembl/assay_report_card/CHEMBL3366747/  target=_blank>CHEMBL3366747</a>";;;;;;;;;-5.08;;;;;;;;;;;;"Pérez-Areales FJ, Di Pietro O, Espargaró A, Vallverdú-Queralt A, Galdeano C, Ragusa IM, Viayna E, Guillou C, Clos MV, Pérez B, Sabaté R, Lamuela-Raventós RM, Luque FJ, Muñoz-Torrero D.: Shogaol-huprine hybrids: dual antioxidant and anticholinesterase agents with β-amyloid and tau anti-aggregating properties. Bioorg Med Chem, Volume 22 (19), 2014";ChEMBL
MM471062;MM471062;O=C1c2ccccc2C(=O)N1CCCCCCCCNC1CCN(Cc2ccccc2)CC1;BHKIRWHWXZUESZ-UHFFFAOYSA-N;447.62;4.88;118729045;;;CHEMBL3400171;BBB;EPAM;25;0;"<a href=https://www.ebi.ac.uk/chembl/assay_report_card/CHEMBL3406583/  target=_blank>CHEMBL3406583</a>";;;;;;;;;-3.1;;;;;;;;;;;;"Więckowska A, Więckowski K, Bajda M, Brus B, Sałat K, Czerwińska P, Gobec S, Filipek B, Malawska B.: Synthesis of new N-benzylpiperidine derivatives as cholinesterase inhibitors with β-amyloid anti-aggregation properties and beneficial effects on memory in vivo. Bioorg Med Chem, Volume 23 (10), 2015";ChEMBL
MM471061;MM471061;O=C1c2ccccc2C(=O)N1CCCNC1CCN(Cc2ccccc2)CC1;JUIGHVDBLCBOOZ-UHFFFAOYSA-N;377.49;2.93;118729042;;;CHEMBL3402288;BBB;EPAM;25;0;"<a href=https://www.ebi.ac.uk/chembl/assay_report_card/CHEMBL3406583/  target=_blank>CHEMBL3406583</a>";;;;;;;;;-4.5;;;;;;;;;;;;"Więckowska A, Więckowski K, Bajda M, Brus B, Sałat K, Czerwińska P, Gobec S, Filipek B, Malawska B.: Synthesis of new N-benzylpiperidine derivatives as cholinesterase inhibitors with β-amyloid anti-aggregation properties and beneficial effects on memory in vivo. Bioorg Med Chem, Volume 23 (10), 2015";ChEMBL
MM471063;MM471063;O=C1c2ccccc2C(=O)N1CCCCCCCCNC1CCN(Cc2ccccc2F)CC1;LPUHGKXTOHAWQT-UHFFFAOYSA-N;465.61;5.02;118729048;;;CHEMBL3402293;BBB;EPAM;25;0;"<a href=https://www.ebi.ac.uk/chembl/assay_report_card/CHEMBL3406583/  target=_blank>CHEMBL3406583</a>";;;;;;;;;-4.4;;;;;;;;;;;;"Więckowska A, Więckowski K, Bajda M, Brus B, Sałat K, Czerwińska P, Gobec S, Filipek B, Malawska B.: Synthesis of new N-benzylpiperidine derivatives as cholinesterase inhibitors with β-amyloid anti-aggregation properties and beneficial effects on memory in vivo. Bioorg Med Chem, Volume 23 (10), 2015";ChEMBL
MM471064;MM471064;O=C1c2ccccc2C(=O)N1CCCCCCCCNC1CCN(Cc2cccc(Cl)c2)CC1;GHBHHSZWICSFCD-UHFFFAOYSA-N;482.07;5.53;85468770;;;CHEMBL3402296;BBB;EPAM;25;0;"<a href=https://www.ebi.ac.uk/chembl/assay_report_card/CHEMBL3406583/  target=_blank>CHEMBL3406583</a>";;;;;;;;;-3.8;;;;;;;;;;;;"Więckowska A, Więckowski K, Bajda M, Brus B, Sałat K, Czerwińska P, Gobec S, Filipek B, Malawska B.: Synthesis of new N-benzylpiperidine derivatives as cholinesterase inhibitors with β-amyloid anti-aggregation properties and beneficial effects on memory in vivo. Bioorg Med Chem, Volume 23 (10), 2015";ChEMBL
MM471065;MM471065;O=C1c2ccccc2C(=O)N1CCCCCCCCNC1CCN(Cc2ccc(O)cc2)CC1;JCIZQGGVQLJNSL-UHFFFAOYSA-N;463.62;4.58;118729053;;;CHEMBL3402299;BBB;EPAM;25;0;"<a href=https://www.ebi.ac.uk/chembl/assay_report_card/CHEMBL3406583/  target=_blank>CHEMBL3406583</a>";;;;;;;;;-3.6;;;;;;;;;;;;"Więckowska A, Więckowski K, Bajda M, Brus B, Sałat K, Czerwińska P, Gobec S, Filipek B, Malawska B.: Synthesis of new N-benzylpiperidine derivatives as cholinesterase inhibitors with β-amyloid anti-aggregation properties and beneficial effects on memory in vivo. Bioorg Med Chem, Volume 23 (10), 2015";ChEMBL
MM471066;MM471066;c1ccc(CN2CCC(NCCCCCCCCn3ccc4ccccc43)CC2)cc1;YCTJTIRKQYGPIX-UHFFFAOYSA-N;417.64;6.24;118729060;;;CHEMBL3402306;BBB;EPAM;25;0;"<a href=https://www.ebi.ac.uk/chembl/assay_report_card/CHEMBL3406583/  target=_blank>CHEMBL3406583</a>";;;;;;;;;-4.7;;;;;;;;;;;;"Więckowska A, Więckowski K, Bajda M, Brus B, Sałat K, Czerwińska P, Gobec S, Filipek B, Malawska B.: Synthesis of new N-benzylpiperidine derivatives as cholinesterase inhibitors with β-amyloid anti-aggregation properties and beneficial effects on memory in vivo. Bioorg Med Chem, Volume 23 (10), 2015";ChEMBL
MM471090;MM471090;C#CCN(C)Cc1cc2cc(OCCCC3CCN(Cc4ccccc4C)CC3)ccc2n1C;MENPQHDIPOYDSI-UHFFFAOYSA-N;457.66;5.62;101910778;;;CHEMBL3407581;BBB;EPAM;25;0;"<a href=https://www.ebi.ac.uk/chembl/assay_report_card/CHEMBL3413613/  target=_blank>CHEMBL3413613</a>";;;;;;;;;-4.84;;;;;;;;;;;;"Bautista-Aguilera OM, Samadi A, Chioua M, Nikolic K, Filipic S, Agbaba D, Soriano E, de Andrés L, Rodríguez-Franco MI, Alcaro S, Ramsay RR, Ortuso F, Yañez M, Marco-Contelles J.: N-Methyl-N-((1-methyl-5-(3-(1-(2-methylbenzyl)piperidin-4-yl)propoxy)-1H-indol-2-yl)methyl)prop-2-yn-1-amine, a new cholinesterase and monoamine oxidase dual inhibitor. J Med Chem, Volume 57 (24), 2014";ChEMBL
MM471279;MM471279;Cc1cc(O)cc(C)c1CC(N)C(=O)NC(CCCN=C(N)N)C(=O)NC1Cc2ccccc2CN(CCC(N)=O)C1=O;VBTIGXSUDIFYPI-GVAUOCQISA-N;594.72;-0.43;118731120;;;CHEMBL3408737;BBB;EPAM;25;0;"<a href=https://www.ebi.ac.uk/chembl/assay_report_card/CHEMBL3811078/  target=_blank>CHEMBL3811078</a>";;;;;;;;;-6.05;;;;;;;;;;;;"Guillemyn K, Starnowska J, Lagard C, Dyniewicz J, Rojewska E, Mika J, Chung NN, Utard V, Kosson P, Lipkowski AW, Chevillard L, Arranz-Gibert P, Teixidó M, Megarbane B, Tourwé D, Simonin F, Przewlocka B, Schiller PW, Ballet S.: Bifunctional Peptide-Based Opioid Agonist-Nociceptin Antagonist Ligands for Dual Treatment of Acute and Neuropathic Pain. J Med Chem, Volume 59 (8), 2016";ChEMBL
MM471095;MM471095;Nc1ncnc2c1c(-c1ccccc1)nn2CC(Cl)c1ccccc1;CYWDPEUCBCKEAM-UHFFFAOYSA-N;349.83;4.06;121316014;;;CHEMBL3578212;BBB;EPAM;25;0;"<a href=https://www.ebi.ac.uk/chembl/assay_report_card/CHEMBL3580392/  target=_blank>CHEMBL3580392</a>";;;;;;;;;-5.02;;;;;;;;;;;;"Tintori C, La Sala G, Vignaroli G, Botta L, Fallacara AL, Falchi F, Radi M, Zamperini C, Dreassi E, Dello Iacono L, Orioli D, Biamonti G, Garbelli M, Lossani A, Gasparrini F, Tuccinardi T, Laurenzana I, Angelucci A, Maga G, Schenone S, Brullo C, Musumeci F, Desogus A, Crespan E, Botta M.: Studies on the ATP Binding Site of Fyn Kinase for the Identification of New Inhibitors and Their Evaluation as Potential Agents against Tauopathies and Tumors. J Med Chem, Volume 58 (11), 2015";ChEMBL
MM471094;MM471094;Nc1ncnc2c1c(-c1ccc(F)cc1)nn2CC(Cl)c1ccccc1;DMATXWLHUWDWHH-UHFFFAOYSA-N;367.82;4.19;121316084;;;CHEMBL3578213;BBB;EPAM;25;0;"<a href=https://www.ebi.ac.uk/chembl/assay_report_card/CHEMBL3580392/  target=_blank>CHEMBL3580392</a>";;;;;;;;;-4.89;;;;;;;;;;;;"Tintori C, La Sala G, Vignaroli G, Botta L, Fallacara AL, Falchi F, Radi M, Zamperini C, Dreassi E, Dello Iacono L, Orioli D, Biamonti G, Garbelli M, Lossani A, Gasparrini F, Tuccinardi T, Laurenzana I, Angelucci A, Maga G, Schenone S, Brullo C, Musumeci F, Desogus A, Crespan E, Botta M.: Studies on the ATP Binding Site of Fyn Kinase for the Identification of New Inhibitors and Their Evaluation as Potential Agents against Tauopathies and Tumors. J Med Chem, Volume 58 (11), 2015";ChEMBL
MM471093;MM471093;Nc1ncnc2c1c(-c1ccc(Cl)cc1)nn2CC(Cl)c1ccccc1;VMTZCKPMAFGPEN-UHFFFAOYSA-N;384.27;4.71;121316062;;;CHEMBL3578214;BBB;EPAM;25;0;"<a href=https://www.ebi.ac.uk/chembl/assay_report_card/CHEMBL3580392/  target=_blank>CHEMBL3580392</a>";;;;;;;;;-5.08;;;;;;;;;;;;"Tintori C, La Sala G, Vignaroli G, Botta L, Fallacara AL, Falchi F, Radi M, Zamperini C, Dreassi E, Dello Iacono L, Orioli D, Biamonti G, Garbelli M, Lossani A, Gasparrini F, Tuccinardi T, Laurenzana I, Angelucci A, Maga G, Schenone S, Brullo C, Musumeci F, Desogus A, Crespan E, Botta M.: Studies on the ATP Binding Site of Fyn Kinase for the Identification of New Inhibitors and Their Evaluation as Potential Agents against Tauopathies and Tumors. J Med Chem, Volume 58 (11), 2015";ChEMBL
MM471092;MM471092;Cc1ccc(-c2nn(CC(Cl)c3ccccc3)c3ncnc(N)c23)cc1;QQYAHZXECNNZDC-UHFFFAOYSA-N;363.85;4.36;121316011;;;CHEMBL3578215;BBB;EPAM;25;0;"<a href=https://www.ebi.ac.uk/chembl/assay_report_card/CHEMBL3580392/  target=_blank>CHEMBL3580392</a>";;;;;;;;;-4.94;;;;;;;;;;;;"Tintori C, La Sala G, Vignaroli G, Botta L, Fallacara AL, Falchi F, Radi M, Zamperini C, Dreassi E, Dello Iacono L, Orioli D, Biamonti G, Garbelli M, Lossani A, Gasparrini F, Tuccinardi T, Laurenzana I, Angelucci A, Maga G, Schenone S, Brullo C, Musumeci F, Desogus A, Crespan E, Botta M.: Studies on the ATP Binding Site of Fyn Kinase for the Identification of New Inhibitors and Their Evaluation as Potential Agents against Tauopathies and Tumors. J Med Chem, Volume 58 (11), 2015";ChEMBL
MM471091;MM471091;COc1ccc(-c2nn(CC(Cl)c3ccccc3)c3ncnc(N)c23)cc1;LZFMMPRNKIQRAF-UHFFFAOYSA-N;379.85;4.06;121316093;;;CHEMBL3578216;BBB;EPAM;25;0;"<a href=https://www.ebi.ac.uk/chembl/assay_report_card/CHEMBL3580392/  target=_blank>CHEMBL3580392</a>";;;;;;;;;-4.84;;;;;;;;;;;;"Tintori C, La Sala G, Vignaroli G, Botta L, Fallacara AL, Falchi F, Radi M, Zamperini C, Dreassi E, Dello Iacono L, Orioli D, Biamonti G, Garbelli M, Lossani A, Gasparrini F, Tuccinardi T, Laurenzana I, Angelucci A, Maga G, Schenone S, Brullo C, Musumeci F, Desogus A, Crespan E, Botta M.: Studies on the ATP Binding Site of Fyn Kinase for the Identification of New Inhibitors and Their Evaluation as Potential Agents against Tauopathies and Tumors. J Med Chem, Volume 58 (11), 2015";ChEMBL
MM471098;MM471098;C#CCN(C)C(C)Cc1ccc(NCc2ncccc2OC)cc1;CNHQYKLFVBDEEN-MRXNPFEDSA-N;323.44;3.2;122179917;;;CHEMBL3585846;BBB;EPAM;25;0;"<a href=https://www.ebi.ac.uk/chembl/assay_report_card/CHEMBL3587103/  target=_blank>CHEMBL3587103</a>";;;;;;;;;-4.89;;;;;;;;;;;;"Xie S, Chen J, Li X, Su T, Wang Y, Wang Z, Huang L, Li X.: Synthesis and evaluation of selegiline derivatives as monoamine oxidase inhibitor, antioxidant and metal chelator against Alzheimer's disease. Bioorg Med Chem, Volume 23 (13), 2015";ChEMBL
MM471099;MM471099;C#CCN(C)C(C)Cc1ccc(NCc2ncccc2C)cc1;DPJIZGMQABAQFZ-QGZVFWFLSA-N;307.44;3.5;122179918;;;CHEMBL3585847;BBB;EPAM;25;0;"<a href=https://www.ebi.ac.uk/chembl/assay_report_card/CHEMBL3587103/  target=_blank>CHEMBL3587103</a>";;;;;;;;;-4.92;;;;;;;;;;;;"Xie S, Chen J, Li X, Su T, Wang Y, Wang Z, Huang L, Li X.: Synthesis and evaluation of selegiline derivatives as monoamine oxidase inhibitor, antioxidant and metal chelator against Alzheimer's disease. Bioorg Med Chem, Volume 23 (13), 2015";ChEMBL
MM471100;MM471100;C#CCN(C)C(C)Cc1ccc(NCc2ccccc2O)cc1;UNDNUVUSNMDJBY-MRXNPFEDSA-N;308.43;3.5;122179919;;;CHEMBL3585848;BBB;EPAM;25;0;"<a href=https://www.ebi.ac.uk/chembl/assay_report_card/CHEMBL3587103/  target=_blank>CHEMBL3587103</a>";;;;;;;;;-4.94;;;;;;;;;;;;"Xie S, Chen J, Li X, Su T, Wang Y, Wang Z, Huang L, Li X.: Synthesis and evaluation of selegiline derivatives as monoamine oxidase inhibitor, antioxidant and metal chelator against Alzheimer's disease. Bioorg Med Chem, Volume 23 (13), 2015";ChEMBL
MM471101;MM471101;C#CCN(C)C(C)Cc1ccc(NCc2cc(OC)ccc2O)cc1;UYBCOVGYWOKASH-MRXNPFEDSA-N;338.45;3.51;122179922;;;CHEMBL3585851;BBB;EPAM;25;0;"<a href=https://www.ebi.ac.uk/chembl/assay_report_card/CHEMBL3587103/  target=_blank>CHEMBL3587103</a>";;;;;;;;;-4.93;;;;;;;;;;;;"Xie S, Chen J, Li X, Su T, Wang Y, Wang Z, Huang L, Li X.: Synthesis and evaluation of selegiline derivatives as monoamine oxidase inhibitor, antioxidant and metal chelator against Alzheimer's disease. Bioorg Med Chem, Volume 23 (13), 2015";ChEMBL
MM471102;MM471102;C#CCN(C)C(C)Cc1ccc(NCc2cc(N(C)C)ccc2O)cc1;OWKHVJSXKXDNQV-QGZVFWFLSA-N;351.49;3.57;122179923;;;CHEMBL3585852;BBB;EPAM;25;0;"<a href=https://www.ebi.ac.uk/chembl/assay_report_card/CHEMBL3587103/  target=_blank>CHEMBL3587103</a>";;;;;;;;;-4.9;;;;;;;;;;;;"Xie S, Chen J, Li X, Su T, Wang Y, Wang Z, Huang L, Li X.: Synthesis and evaluation of selegiline derivatives as monoamine oxidase inhibitor, antioxidant and metal chelator against Alzheimer's disease. Bioorg Med Chem, Volume 23 (13), 2015";ChEMBL
MM471103;MM471103;C#CCN(C)C(C)Cc1ccc(NCc2cc(O)ccc2O)cc1;VECAPNRNENAFQQ-OAHLLOKOSA-N;324.42;3.21;122179927;;;CHEMBL3585856;BBB;EPAM;25;0;"<a href=https://www.ebi.ac.uk/chembl/assay_report_card/CHEMBL3587103/  target=_blank>CHEMBL3587103</a>";;;;;;;;;-5.51;;;;;;;;;;;;"Xie S, Chen J, Li X, Su T, Wang Y, Wang Z, Huang L, Li X.: Synthesis and evaluation of selegiline derivatives as monoamine oxidase inhibitor, antioxidant and metal chelator against Alzheimer's disease. Bioorg Med Chem, Volume 23 (13), 2015";ChEMBL
MM471097;MM471097;COc1c2c(cc3c1C14CCN(C3)C1CC(OC)C1OC14)OCO2;VXGWEUCZZKLWFB-MNBKVWIYSA-N;331.37;1.44;122180205;;;CHEMBL3586261;BBB;EPAM;25;0;"<a href=https://www.ebi.ac.uk/chembl/assay_report_card/CHEMBL3587321/  target=_blank>CHEMBL3587321</a>";;;;;;;;;-4.74;;;;;;;;;;;;"Cahlíková L, Pérez DI, Štěpánková Š, Chlebek J, Šafratová M, Hošt'álková A, Opletal L.: In Vitro Inhibitory Effects of 8-O-Demethylmaritidine and Undulatine on Acetylcholinesterase and Their Predicted Penetration across the Blood-Brain Barrier. J Nat Prod, Volume 78 (6), 2015";ChEMBL
MM471264;MM471264;CC1=CC2Cc3nc4cc(Cl)ccc4c(NCCCCCCCCCCCCNc4c5c(nc6ccccc46)CCCC5)c3C(C1)C2;VBPYUDBSLYCEMA-UHFFFAOYSA-N;649.37;11.74;122184347;;;CHEMBL3600551;BBB;EPAM;25;0;"<a href=https://www.ebi.ac.uk/chembl/assay_report_card/CHEMBL3603060/  target=_blank>CHEMBL3603060</a>";;;;;;;;;-4.97;;;;;;;;;;;;"Sola I, Castellà S, Viayna E, Galdeano C, Taylor MC, Gbedema SY, Pérez B, Clos MV, Jones DC, Fairlamb AH, Wright CW, Kelly JM, Muñoz-Torrero D.: Synthesis, biological profiling and mechanistic studies of 4-aminoquinoline-based heterodimeric compounds with dual trypanocidal-antiplasmodial activity. Bioorg Med Chem, Volume 23 (16), 2015";ChEMBL
MM471265;MM471265;CC1=CC2Cc3nc4cc(Cl)ccc4c(NCCCCCCCCCCCCNc4c5c(nc6cc(Cl)ccc46)CCCC5)c3C(C1)C2;GLKLHBYBAWHWTF-UHFFFAOYSA-N;683.81;12.39;122184348;;;CHEMBL3600552;BBB;EPAM;25;0;"<a href=https://www.ebi.ac.uk/chembl/assay_report_card/CHEMBL3603060/  target=_blank>CHEMBL3603060</a>";;;;;;;;;-4.77;;;;;;;;;;;;"Sola I, Castellà S, Viayna E, Galdeano C, Taylor MC, Gbedema SY, Pérez B, Clos MV, Jones DC, Fairlamb AH, Wright CW, Kelly JM, Muñoz-Torrero D.: Synthesis, biological profiling and mechanistic studies of 4-aminoquinoline-based heterodimeric compounds with dual trypanocidal-antiplasmodial activity. Bioorg Med Chem, Volume 23 (16), 2015";ChEMBL
MM471266;MM471266;CC1=CC2Cc3nc4ccccc4c(NCCCCCCCCCCNc4c5c(nc6ccccc46)CCCC5)c3C(C1)C2;IZRQAXRTZHGAMX-UHFFFAOYSA-N;586.87;10.3;122184349;;;CHEMBL3600553;BBB;EPAM;25;0;"<a href=https://www.ebi.ac.uk/chembl/assay_report_card/CHEMBL3603060/  target=_blank>CHEMBL3603060</a>";;;;;;;;;-5.2;;;;;;;;;;;;"Sola I, Castellà S, Viayna E, Galdeano C, Taylor MC, Gbedema SY, Pérez B, Clos MV, Jones DC, Fairlamb AH, Wright CW, Kelly JM, Muñoz-Torrero D.: Synthesis, biological profiling and mechanistic studies of 4-aminoquinoline-based heterodimeric compounds with dual trypanocidal-antiplasmodial activity. Bioorg Med Chem, Volume 23 (16), 2015";ChEMBL
MM471267;MM471267;CC1=CC2Cc3nc4ccccc4c(NCCCCCCCCCCCCNc4c5c(nc6ccccc46)CCCC5)c3C(C1)C2;CRKNHUIAVMQCOT-UHFFFAOYSA-N;614.92;11.08;122184350;;;CHEMBL3600554;BBB;EPAM;25;0;"<a href=https://www.ebi.ac.uk/chembl/assay_report_card/CHEMBL3603060/  target=_blank>CHEMBL3603060</a>";;;;;;;;;-5.14;;;;;;;;;;;;"Sola I, Castellà S, Viayna E, Galdeano C, Taylor MC, Gbedema SY, Pérez B, Clos MV, Jones DC, Fairlamb AH, Wright CW, Kelly JM, Muñoz-Torrero D.: Synthesis, biological profiling and mechanistic studies of 4-aminoquinoline-based heterodimeric compounds with dual trypanocidal-antiplasmodial activity. Bioorg Med Chem, Volume 23 (16), 2015";ChEMBL
MM471268;MM471268;CC1=CC2Cc3nc4ccccc4c(NCCCCCCCCCCNc4c5c(nc6cc(Cl)ccc46)CCCC5)c3C(C1)C2;HJOZPGZWSXZPTB-UHFFFAOYSA-N;621.31;10.96;122184351;;;CHEMBL3600555;BBB;EPAM;25;0;"<a href=https://www.ebi.ac.uk/chembl/assay_report_card/CHEMBL3603060/  target=_blank>CHEMBL3603060</a>";;;;;;;;;-4.76;;;;;;;;;;;;"Sola I, Castellà S, Viayna E, Galdeano C, Taylor MC, Gbedema SY, Pérez B, Clos MV, Jones DC, Fairlamb AH, Wright CW, Kelly JM, Muñoz-Torrero D.: Synthesis, biological profiling and mechanistic studies of 4-aminoquinoline-based heterodimeric compounds with dual trypanocidal-antiplasmodial activity. Bioorg Med Chem, Volume 23 (16), 2015";ChEMBL
MM471269;MM471269;CC1=CC2Cc3nc4ccccc4c(NCCCCCCCCCCCCNc4c5c(nc6cc(Cl)ccc46)CCCC5)c3C(C1)C2;PBJAAJDBUSKJEX-UHFFFAOYSA-N;649.37;11.74;122184352;;;CHEMBL3600556;BBB;EPAM;25;0;"<a href=https://www.ebi.ac.uk/chembl/assay_report_card/CHEMBL3603060/  target=_blank>CHEMBL3603060</a>";;;;;;;;;-4.96;;;;;;;;;;;;"Sola I, Castellà S, Viayna E, Galdeano C, Taylor MC, Gbedema SY, Pérez B, Clos MV, Jones DC, Fairlamb AH, Wright CW, Kelly JM, Muñoz-Torrero D.: Synthesis, biological profiling and mechanistic studies of 4-aminoquinoline-based heterodimeric compounds with dual trypanocidal-antiplasmodial activity. Bioorg Med Chem, Volume 23 (16), 2015";ChEMBL
MM471244;MM471244;O=C(CCCCCNc1c2c(nc3ccccc13)CCCC2)NCCc1c[nH]c2ccc(O)cc12;DIHZVMMPFILOAT-UHFFFAOYSA-N;470.62;5.63;11713155;;;CHEMBL370807;BBB;EPAM;25;0;"<a href=https://www.ebi.ac.uk/chembl/assay_report_card/CHEMBL862279/  target=_blank>CHEMBL862279</a>";;;;;;;;;-5.7;;;;;;;;;;;;"Rodríguez-Franco MI, Fernández-Bachiller MI, Pérez C, Hernández-Ledesma B, Bartolomé B.: Novel tacrine-melatonin hybrids as dual-acting drugs for Alzheimer disease, with improved acetylcholinesterase inhibitory and antioxidant properties. J Med Chem, Volume 49 (2), 2006";ChEMBL
MM471286;MM471286;CC1(C)CC(=O)c2ccc(OCc3ccc(F)cc3)cc2O1;SFCWHFUCGPFTBB-UHFFFAOYSA-N;300.33;4.15;2728600;;;CHEMBL3741461;BBB;EPAM;25;0;"<a href=https://www.ebi.ac.uk/chembl/assay_report_card/CHEMBL3863409/  target=_blank>CHEMBL3863409</a>";;;;;;;;;-5.01;;;;;;;;;;;;"Wang Z, Wu J, Yang X, Cai P, Liu Q, Wang KDG, Kong L, Wang X.: Neuroprotective effects of benzyloxy substituted small molecule monoamine oxidase B inhibitors in Parkinson's disease. Bioorg Med Chem, Volume 24 (22), 2016";ChEMBL
MM471271;MM471271;COc1cc(C=CC(O)=CC(=O)C=Cc2ccc(C)cc2)ccc1O;VXALTXDOWJREFA-MZIOZFBKSA-N;336.39;4.45;127027134;;;CHEMBL3763318;BBB;EPAM;25;0;"<a href=https://www.ebi.ac.uk/chembl/assay_report_card/CHEMBL3769119/  target=_blank>CHEMBL3769119</a>";;;;;;;;;-5.09;;;;;;;;;;;;"Di Martino RM, De Simone A, Andrisano V, Bisignano P, Bisi A, Gobbi S, Rampa A, Fato R, Bergamini C, Perez DI, Martinez A, Bottegoni G, Cavalli A, Belluti F.: Versatility of the Curcumin Scaffold: Discovery of Potent and Balanced Dual BACE-1 and GSK-3β Inhibitors. J Med Chem, Volume 59 (2), 2016";ChEMBL
MM471275;MM471275;O=C(C=Cc1ccc(OCc2ccccc2)cc1)C=C(O)C=Cc1ccc(OCc2ccccc2)cc1;QPNANWKMFHLDHE-UCFFPRQFSA-N;488.58;7.58;127027450;;;CHEMBL3763728;BBB;EPAM;25;0;"<a href=https://www.ebi.ac.uk/chembl/assay_report_card/CHEMBL3769119/  target=_blank>CHEMBL3769119</a>";;;;;;;;;-5.44;;;;;;;;;;;;"Di Martino RM, De Simone A, Andrisano V, Bisignano P, Bisi A, Gobbi S, Rampa A, Fato R, Bergamini C, Perez DI, Martinez A, Bottegoni G, Cavalli A, Belluti F.: Versatility of the Curcumin Scaffold: Discovery of Potent and Balanced Dual BACE-1 and GSK-3β Inhibitors. J Med Chem, Volume 59 (2), 2016";ChEMBL
MM471274;MM471274;COc1ccc(C=CC(O)=CC(=O)C=Cc2ccc(OCc3ccccc3)cc2)cc1;QIJBQZWIBKXHQR-JYQZHLRBSA-N;412.49;6.01;127027135;;;CHEMBL3763815;BBB;EPAM;25;0;"<a href=https://www.ebi.ac.uk/chembl/assay_report_card/CHEMBL3769119/  target=_blank>CHEMBL3769119</a>";;;;;;;;;-5.15;;;;;;;;;;;;"Di Martino RM, De Simone A, Andrisano V, Bisignano P, Bisi A, Gobbi S, Rampa A, Fato R, Bergamini C, Perez DI, Martinez A, Bottegoni G, Cavalli A, Belluti F.: Versatility of the Curcumin Scaffold: Discovery of Potent and Balanced Dual BACE-1 and GSK-3β Inhibitors. J Med Chem, Volume 59 (2), 2016";ChEMBL
MM471270;MM471270;COc1cc(C=CC(O)=CC(=O)C=Cc2ccc(OCc3ccccc3)cc2)ccc1O;IWISRWPEVRRXIO-ANCJGQNFSA-N;428.48;5.72;127027133;;;CHEMBL3763944;BBB;EPAM;25;0;"<a href=https://www.ebi.ac.uk/chembl/assay_report_card/CHEMBL3769119/  target=_blank>CHEMBL3769119</a>";;;;;;;;;-5.11;;;;;;;;;;;;"Di Martino RM, De Simone A, Andrisano V, Bisignano P, Bisi A, Gobbi S, Rampa A, Fato R, Bergamini C, Perez DI, Martinez A, Bottegoni G, Cavalli A, Belluti F.: Versatility of the Curcumin Scaffold: Discovery of Potent and Balanced Dual BACE-1 and GSK-3β Inhibitors. J Med Chem, Volume 59 (2), 2016";ChEMBL
MM471277;MM471277;"COc1cc(O)c2c(c1)O/C(=C\c1ccc(N3CCCCC3)cc1)C2=O";APPJSPLSLCAGEG-ODLFYWEKSA-N;351.4;4.01;;;;;BBB;EPAM;25;0;"<a href=https://www.ebi.ac.uk/chembl/assay_report_card/CHEMBL3787917/  target=_blank>CHEMBL3787917</a>";;;;;;;;;-5.14;;;;;;;;;;;;"Li Y, Qiang X, Luo L, Li Y, Xiao G, Tan Z, Deng Y.: Synthesis and evaluation of 4-hydroxyl aurone derivatives as multifunctional agents for the treatment of Alzheimer's disease. Bioorg Med Chem, Volume 24 (10), 2016";ChEMBL
MM471278;MM471278;CCN(CCCCCCNC(=O)C=Cc1ccc(O)c(OC)c1)Cc1ccccc1OC;NTQFMRZDTVXICG-JQIJEIRASA-N;440.58;4.62;127029446;;;CHEMBL3792491;BBB;EPAM;25;0;"<a href=https://www.ebi.ac.uk/chembl/assay_report_card/CHEMBL3796842/  target=_blank>CHEMBL3796842</a>";;;;;;;;;-5.26;;;;;;;;;;;;"Pan W, Hu K, Bai P, Yu L, Ma Q, Li T, Zhang X, Chen C, Peng K, Liu W, Sang Z.: Design, synthesis and evaluation of novel ferulic acid-memoquin hybrids as potential multifunctional agents for the treatment of Alzheimer's disease. Bioorg Med Chem Lett, Volume 26 (10), 2016";ChEMBL
MM471281;MM471281;CCC(C)C(NC(=O)C(CCCN=C(N)N)NC(=O)C(Cc1ccc(O)cc1)NC(=O)C(Cc1ccc(O)cc1)NC(=O)C(CCCN=C(N)N)NC(=O)CCN1Cc2ccccc2CC(NC(=O)C(CCCN=C(N)N)NC(=O)C(N)Cc2c(C)cc(O)cc2C)C1=O)C(=O)NC(CCCCN)C(N)=O;DBXXUNROIBQTKD-XFQSCKMHSA-N;1474.78;-1.92;127044528;;;CHEMBL3808415;BBB;EPAM;25;0;"<a href=https://www.ebi.ac.uk/chembl/assay_report_card/CHEMBL3811078/  target=_blank>CHEMBL3811078</a>";;;;;;;;;-6.96;;;;;;;;;;;;"Guillemyn K, Starnowska J, Lagard C, Dyniewicz J, Rojewska E, Mika J, Chung NN, Utard V, Kosson P, Lipkowski AW, Chevillard L, Arranz-Gibert P, Teixidó M, Megarbane B, Tourwé D, Simonin F, Przewlocka B, Schiller PW, Ballet S.: Bifunctional Peptide-Based Opioid Agonist-Nociceptin Antagonist Ligands for Dual Treatment of Acute and Neuropathic Pain. J Med Chem, Volume 59 (8), 2016";ChEMBL
MM471280;MM471280;CCC(C)C(NC(=O)C(CCCN=C(N)N)NC(=O)C(Cc1ccc(O)cc1)NC(=O)C(Cc1ccc(O)cc1)NC(=O)C(CCCN=C(N)N)NC(C)=O)C(=O)NC(CCCCN)C(N)=O;WBBBVZGQADABSU-VPUGGFGBSA-N;939.13;-2;122409965;;;CHEMBL3809510;BBB;EPAM;25;0;"<a href=https://www.ebi.ac.uk/chembl/assay_report_card/CHEMBL3811078/  target=_blank>CHEMBL3811078</a>";;;;;;;;;-7.15;;;;;;;;;;;;"Guillemyn K, Starnowska J, Lagard C, Dyniewicz J, Rojewska E, Mika J, Chung NN, Utard V, Kosson P, Lipkowski AW, Chevillard L, Arranz-Gibert P, Teixidó M, Megarbane B, Tourwé D, Simonin F, Przewlocka B, Schiller PW, Ballet S.: Bifunctional Peptide-Based Opioid Agonist-Nociceptin Antagonist Ligands for Dual Treatment of Acute and Neuropathic Pain. J Med Chem, Volume 59 (8), 2016";ChEMBL
MM471104;MM471104;COc1cc(C=CC(=O)NCCC2CCN(Cc3ccccc3)CC2)ccc1O;MDBSJGXOQHYGEI-CSKARUKUSA-N;394.52;3.83;127049730;;;CHEMBL3818089;BBB;EPAM;25;0;"<a href=https://www.ebi.ac.uk/chembl/assay_report_card/CHEMBL3821787/  target=_blank>CHEMBL3821787</a>";;;;;;;;;-5.29;;;;;;;;;;;;10.1039/C6MD00053C;ChEMBL
MM471106;MM471106;O=C(C=Cc1ccc(O)c(O)c1)NCCC1CCN(Cc2ccccc2)CC1;UFQJPMAHMNYIOA-VQHVLOKHSA-N;380.49;3.53;127049071;;;CHEMBL3818992;BBB;EPAM;25;0;"<a href=https://www.ebi.ac.uk/chembl/assay_report_card/CHEMBL3821787/  target=_blank>CHEMBL3821787</a>";;;;;;;;;-5.27;;;;;;;;;;;;10.1039/C6MD00053C;ChEMBL
MM471107;MM471107;COc1cc(C=CC(=O)NCCC2CCN(Cc3ccccc3)CC2)cc(OC)c1OC;MJIJFTHVGZWODF-MDZDMXLPSA-N;438.57;4.14;127048405;;;CHEMBL3819083;BBB;EPAM;25;0;"<a href=https://www.ebi.ac.uk/chembl/assay_report_card/CHEMBL3821787/  target=_blank>CHEMBL3821787</a>";;;;;;;;;-5.13;;;;;;;;;;;;10.1039/C6MD00053C;ChEMBL
MM471105;MM471105;COc1cc(C=CC(=O)NCCC2CCN(Cc3ccccc3)CC2)cc(OC)c1O;GXZHJSKUOGHRTO-CMDGGOBGSA-N;424.54;3.84;127048749;;;CHEMBL3819231;BBB;EPAM;25;0;"<a href=https://www.ebi.ac.uk/chembl/assay_report_card/CHEMBL3821787/  target=_blank>CHEMBL3821787</a>";;;;;;;;;-5.11;;;;;;;;;;;;10.1039/C6MD00053C;ChEMBL
MM471108;MM471108;O=C(CC1CCN(Cc2ccccc2)CC1)NCCc1c[nH]c2ccccc12;PDZMHDSORBHDFP-UHFFFAOYSA-N;375.52;4.13;127050511;;;CHEMBL3822559;BBB;EPAM;25;0;"<a href=https://www.ebi.ac.uk/chembl/assay_report_card/CHEMBL3826717/  target=_blank>CHEMBL3826717</a>";;;;;;;;;-5.13;;;;;;;;;;;;"Wang J, Wang ZM, Li XM, Li F, Wu JJ, Kong LY, Wang XB.: Synthesis and evaluation of multi-target-directed ligands for the treatment of Alzheimer's disease based on the fusion of donepezil and melatonin. Bioorg Med Chem, Volume 24 (18), 2016";ChEMBL
MM471247;MM471247;COc1ccc2[nH]cc(CCNC(=O)CCCCCCNc3c4c(nc5ccccc35)CCCC4)c2c1;NNXPYYPDXHQYMI-UHFFFAOYSA-N;498.67;6.32;11504245;;;CHEMBL382260;BBB;EPAM;25;0;"<a href=https://www.ebi.ac.uk/chembl/assay_report_card/CHEMBL862279/  target=_blank>CHEMBL862279</a>";;;;;;;;;-5.07;;;;;;;;;;;;"Rodríguez-Franco MI, Fernández-Bachiller MI, Pérez C, Hernández-Ledesma B, Bartolomé B.: Novel tacrine-melatonin hybrids as dual-acting drugs for Alzheimer disease, with improved acetylcholinesterase inhibitory and antioxidant properties. J Med Chem, Volume 49 (2), 2006";ChEMBL
MM471111;MM471111;Cc1ccccc1CN1CCC(C(=O)NCCc2c[nH]c3ccccc23)CC1;VQNHLBHTNLUGAW-UHFFFAOYSA-N;375.52;4.05;127051623;;;CHEMBL3822890;BBB;EPAM;25;0;"<a href=https://www.ebi.ac.uk/chembl/assay_report_card/CHEMBL3826717/  target=_blank>CHEMBL3826717</a>";;;;;;;;;-5.05;;;;;;;;;;;;"Wang J, Wang ZM, Li XM, Li F, Wu JJ, Kong LY, Wang XB.: Synthesis and evaluation of multi-target-directed ligands for the treatment of Alzheimer's disease based on the fusion of donepezil and melatonin. Bioorg Med Chem, Volume 24 (18), 2016";ChEMBL
MM471110;MM471110;COc1ccc2[nH]cc(CCNC(=O)CC3CCN(Cc4ccccc4C)CC3)c2c1;YIQUNQOTSWAGGT-UHFFFAOYSA-N;419.57;4.45;;;;;BBB;EPAM;25;0;"<a href=https://www.ebi.ac.uk/chembl/assay_report_card/CHEMBL3826717/  target=_blank>CHEMBL3826717</a>";;;;;;;;;-4.96;;;;;;;;;;;;"Wang J, Wang ZM, Li XM, Li F, Wu JJ, Kong LY, Wang XB.: Synthesis and evaluation of multi-target-directed ligands for the treatment of Alzheimer's disease based on the fusion of donepezil and melatonin. Bioorg Med Chem, Volume 24 (18), 2016";ChEMBL
MM471112;MM471112;COc1ccc2[nH]cc(CCNC(=O)C3CCN(Cc4ccccc4C)CC3)c2c1;VITNUIFTUFCBDI-UHFFFAOYSA-N;405.54;4.06;127051624;;;CHEMBL3823578;BBB;EPAM;25;0;"<a href=https://www.ebi.ac.uk/chembl/assay_report_card/CHEMBL3826717/  target=_blank>CHEMBL3826717</a>";;;;;;;;;-5.03;;;;;;;;;;;;"Wang J, Wang ZM, Li XM, Li F, Wu JJ, Kong LY, Wang XB.: Synthesis and evaluation of multi-target-directed ligands for the treatment of Alzheimer's disease based on the fusion of donepezil and melatonin. Bioorg Med Chem, Volume 24 (18), 2016";ChEMBL
MM471109;MM471109;Cc1ccccc1CN1CCC(CC(=O)NCCc2c[nH]c3ccccc23)CC1;LZDWBBQKRMLWKK-UHFFFAOYSA-N;389.54;4.44;127050512;;;CHEMBL3824239;BBB;EPAM;25;0;"<a href=https://www.ebi.ac.uk/chembl/assay_report_card/CHEMBL3826717/  target=_blank>CHEMBL3826717</a>";;;;;;;;;-5.16;;;;;;;;;;;;"Wang J, Wang ZM, Li XM, Li F, Wu JJ, Kong LY, Wang XB.: Synthesis and evaluation of multi-target-directed ligands for the treatment of Alzheimer's disease based on the fusion of donepezil and melatonin. Bioorg Med Chem, Volume 24 (18), 2016";ChEMBL
MM471113;MM471113;O=C(CCc1c[nH]c2ccccc12)NCCC1CCN(Cc2ccccc2)CC1;WXTKBXGKRLFVQP-UHFFFAOYSA-N;389.54;4.52;11625278;;;CHEMBL3824248;BBB;EPAM;25;0;"<a href=https://www.ebi.ac.uk/chembl/assay_report_card/CHEMBL3826717/  target=_blank>CHEMBL3826717</a>";;;;;;;;;-5.16;;;;;;;;;;;;"Wang J, Wang ZM, Li XM, Li F, Wu JJ, Kong LY, Wang XB.: Synthesis and evaluation of multi-target-directed ligands for the treatment of Alzheimer's disease based on the fusion of donepezil and melatonin. Bioorg Med Chem, Volume 24 (18), 2016";ChEMBL
MM471251;MM471251;O=C(CCCCCNc1c2c(nc3cc(Cl)ccc13)CCCC2)NCCc1c[nH]c2ccccc12;ADKBJCKYNXBIRF-UHFFFAOYSA-N;489.06;6.58;11562215;;;CHEMBL383663;BBB;EPAM;25;0;"<a href=https://www.ebi.ac.uk/chembl/assay_report_card/CHEMBL862279/  target=_blank>CHEMBL862279</a>";;;;;;;;;-5.11;;;;;;;;;;;;"Rodríguez-Franco MI, Fernández-Bachiller MI, Pérez C, Hernández-Ledesma B, Bartolomé B.: Novel tacrine-melatonin hybrids as dual-acting drugs for Alzheimer disease, with improved acetylcholinesterase inhibitory and antioxidant properties. J Med Chem, Volume 49 (2), 2006";ChEMBL
Testosterone;MM00423;CC12CCC(=O)C=C1CCC1C2CCC2(C)C(O)CCC12;MUMGGOZAMZWBJJ-UHFFFAOYSA-N;288.43;3.88;6013;DB00624;TES;CHEMBL386630;BBB;EPAM;25;0;"<a href=https://www.ebi.ac.uk/chembl/assay_report_card/CHEMBL3366747/  target=_blank>CHEMBL3366747</a>";;;;;;;;;-4.61;;;;;;;;;;;;"Pérez-Areales FJ, Di Pietro O, Espargaró A, Vallverdú-Queralt A, Galdeano C, Ragusa IM, Viayna E, Guillou C, Clos MV, Pérez B, Sabaté R, Lamuela-Raventós RM, Luque FJ, Muñoz-Torrero D.: Shogaol-huprine hybrids: dual antioxidant and anticholinesterase agents with β-amyloid and tau anti-aggregating properties. Bioorg Med Chem, Volume 22 (19), 2014";ChEMBL
Testosterone;MM00423;CC12CCC(=O)C=C1CCC1C2CCC2(C)C(O)CCC12;MUMGGOZAMZWBJJ-UHFFFAOYSA-N;288.43;3.88;6013;DB00624;TES;CHEMBL386630;BBB;EPAM;25;0;"<a href=https://www.ebi.ac.uk/chembl/assay_report_card/CHEMBL3787917/  target=_blank>CHEMBL3787917</a>";;;;;;;;;-4.79;;;;;;;;;;;;"Li Y, Qiang X, Luo L, Li Y, Xiao G, Tan Z, Deng Y.: Synthesis and evaluation of 4-hydroxyl aurone derivatives as multifunctional agents for the treatment of Alzheimer's disease. Bioorg Med Chem, Volume 24 (10), 2016";ChEMBL
Testosterone;MM00423;CC12CCC(=O)C=C1CCC1C2CCC2(C)C(O)CCC12;MUMGGOZAMZWBJJ-UHFFFAOYSA-N;288.43;3.88;6013;DB00624;TES;CHEMBL386630;BBB;EPAM;25;0;"<a href=https://www.ebi.ac.uk/chembl/assay_report_card/CHEMBL3787919/  target=_blank>CHEMBL3787919</a>";;;;;;;;;-4.77;;;;;;;;;;;;"Li Y, Qiang X, Luo L, Li Y, Xiao G, Tan Z, Deng Y.: Synthesis and evaluation of 4-hydroxyl aurone derivatives as multifunctional agents for the treatment of Alzheimer's disease. Bioorg Med Chem, Volume 24 (10), 2016";ChEMBL
Testosterone;MM00423;CC12CCC(=O)C=C1CCC1C2CCC2(C)C(O)CCC12;MUMGGOZAMZWBJJ-UHFFFAOYSA-N;288.43;3.88;6013;DB00624;TES;CHEMBL386630;BBB;EPAM;25;0;"<a href=https://www.ebi.ac.uk/chembl/assay_report_card/CHEMBL3826717/  target=_blank>CHEMBL3826717</a>";;;;;;;;;-4.81;;;;;;;;;;;;"Wang J, Wang ZM, Li XM, Li F, Wu JJ, Kong LY, Wang XB.: Synthesis and evaluation of multi-target-directed ligands for the treatment of Alzheimer's disease based on the fusion of donepezil and melatonin. Bioorg Med Chem, Volume 24 (18), 2016";ChEMBL
Testosterone;MM00423;CC12CCC(=O)C=C1CCC1C2CCC2(C)C(O)CCC12;MUMGGOZAMZWBJJ-UHFFFAOYSA-N;288.43;3.88;6013;DB00624;TES;CHEMBL386630;BBB;EPAM;25;0;"<a href=https://www.ebi.ac.uk/chembl/assay_report_card/CHEMBL3863409/  target=_blank>CHEMBL3863409</a>";;;;;;;;;-4.79;;;;;;;;;;;;"Wang Z, Wu J, Yang X, Cai P, Liu Q, Wang KDG, Kong L, Wang X.: Neuroprotective effects of benzyloxy substituted small molecule monoamine oxidase B inhibitors in Parkinson's disease. Bioorg Med Chem, Volume 24 (22), 2016";ChEMBL
Testosterone;MM00423;CC12CCC(=O)C=C1CCC1C2CCC2(C)C(O)CCC12;MUMGGOZAMZWBJJ-UHFFFAOYSA-N;288.43;3.88;6013;DB00624;TES;CHEMBL386630;BBB;EPAM;25;0;"<a href=https://www.ebi.ac.uk/chembl/assay_report_card/CHEMBL3863410/  target=_blank>CHEMBL3863410</a>";;;;;;;;;-4.77;;;;;;;;;;;;"Wang Z, Wu J, Yang X, Cai P, Liu Q, Wang KDG, Kong L, Wang X.: Neuroprotective effects of benzyloxy substituted small molecule monoamine oxidase B inhibitors in Parkinson's disease. Bioorg Med Chem, Volume 24 (22), 2016";ChEMBL
Testosterone;MM00423;CC12CCC(=O)C=C1CCC1C2CCC2(C)C(O)CCC12;MUMGGOZAMZWBJJ-UHFFFAOYSA-N;288.43;3.88;6013;DB00624;TES;CHEMBL386630;BBB;EPAM;25;0;"<a href=https://www.ebi.ac.uk/chembl/assay_report_card/CHEMBL4035435/  target=_blank>CHEMBL4035435</a>";;;;;;;;;-4.79;;;;;;;;;;;;"Sang Z, Pan W, Wang K, Ma Q, Yu L, Liu W.: Design, synthesis and biological evaluation of 3,4-dihydro-2(1H)-quinoline-O-alkylamine derivatives as new multipotent cholinesterase/monoamine oxidase inhibitors for the treatment of Alzheimer's disease. Bioorg Med Chem, Volume 25 (12), 2017";ChEMBL
Testosterone;MM00423;CC12CCC(=O)C=C1CCC1C2CCC2(C)C(O)CCC12;MUMGGOZAMZWBJJ-UHFFFAOYSA-N;288.43;3.88;6013;DB00624;TES;CHEMBL386630;BBB;EPAM;25;0;"<a href=https://www.ebi.ac.uk/chembl/assay_report_card/CHEMBL4055315/  target=_blank>CHEMBL4055315</a>";;;;;;;;;-4.64;;;;;;;;;;;;"Li F, Wu JJ, Wang J, Yang XL, Cai P, Liu QH, Kong LY, Wang XB.: Synthesis and pharmacological evaluation of novel chromone derivatives as balanced multifunctional agents against Alzheimer's disease. Bioorg Med Chem, Volume 25 (14), 2017";ChEMBL
Testosterone;MM00423;CC12CCC(=O)C=C1CCC1C2CCC2(C)C(O)CCC12;MUMGGOZAMZWBJJ-UHFFFAOYSA-N;288.43;3.88;6013;DB00624;TES;CHEMBL386630;BBB;EPAM;25;0;"<a href=https://www.ebi.ac.uk/chembl/assay_report_card/CHEMBL4179547/  target=_blank>CHEMBL4179547</a>";;;;;;;;;-4.93;;;;;;;;;;;;"Yang HL, Cai P, Liu QH, Yang XL, Fang SQ, Tang YW, Wang C, Wang XB, Kong LY.: Design, synthesis, and evaluation of salicyladimine derivatives as multitarget-directed ligands against Alzheimer's disease. Bioorg Med Chem, Volume 25 (21), 2017";ChEMBL
Testosterone;MM00423;CC12CCC(=O)C=C1CCC1C2CCC2(C)C(O)CCC12;MUMGGOZAMZWBJJ-UHFFFAOYSA-N;288.43;3.88;6013;DB00624;TES;CHEMBL386630;BBB;EPAM;25;0;"<a href=https://www.ebi.ac.uk/chembl/assay_report_card/CHEMBL4188381/  target=_blank>CHEMBL4188381</a>";;;;;;;;;-4.77;;;;;;;;;;;;"Cao Z, Yang J, Xu R, Song Q, Zhang X, Liu H, Qiang X, Li Y, Tan Z, Deng Y.: Design, synthesis and evaluation of 4'-OH-flurbiprofen-chalcone hybrids as potential multifunctional agents for Alzheimer's disease treatment. Bioorg Med Chem, Volume 26 (5), 2018";ChEMBL
Testosterone;MM00423;CC12CCC(=O)C=C1CCC1C2CCC2(C)C(O)CCC12;MUMGGOZAMZWBJJ-UHFFFAOYSA-N;288.43;3.88;6013;DB00624;TES;CHEMBL386630;BBB;EPAM;25;0;"<a href=https://www.ebi.ac.uk/chembl/assay_report_card/CHEMBL4188382/  target=_blank>CHEMBL4188382</a>";;;;;;;;;-4.81;;;;;;;;;;;;"Cao Z, Yang J, Xu R, Song Q, Zhang X, Liu H, Qiang X, Li Y, Tan Z, Deng Y.: Design, synthesis and evaluation of 4'-OH-flurbiprofen-chalcone hybrids as potential multifunctional agents for Alzheimer's disease treatment. Bioorg Med Chem, Volume 26 (5), 2018";ChEMBL
Testosterone;MM00423;CC12CCC(=O)C=C1CCC1C2CCC2(C)C(O)CCC12;MUMGGOZAMZWBJJ-UHFFFAOYSA-N;288.43;3.88;6013;DB00624;TES;CHEMBL386630;BBB;EPAM;25;0;"<a href=https://www.ebi.ac.uk/chembl/assay_report_card/CHEMBL4221603/  target=_blank>CHEMBL4221603</a>";;;;;;;;;-4.79;;;;;;;;;;;;"Xu R, Xiao G, Li Y, Liu H, Song Q, Zhang X, Yang Z, Zheng Y, Tan Z, Deng Y.: Multifunctional 5,6-dimethoxybenzo[d]isothiazol-3(2H)-one-N-alkylbenzylamine derivatives with acetylcholinesterase, monoamine oxidases and β-amyloid aggregation inhibitory activities as potential agents against Alzheimer's disease. Bioorg Med Chem, Volume 26 (8), 2018";ChEMBL
Testosterone;MM00423;CC12CCC(=O)C=C1CCC1C2CCC2(C)C(O)CCC12;MUMGGOZAMZWBJJ-UHFFFAOYSA-N;288.43;3.88;6013;DB00624;TES;CHEMBL386630;BBB;EPAM;25;0;"<a href=https://www.ebi.ac.uk/chembl/assay_report_card/CHEMBL4221605/  target=_blank>CHEMBL4221605</a>";;;;;;;;;-4.77;;;;;;;;;;;;"Xu R, Xiao G, Li Y, Liu H, Song Q, Zhang X, Yang Z, Zheng Y, Tan Z, Deng Y.: Multifunctional 5,6-dimethoxybenzo[d]isothiazol-3(2H)-one-N-alkylbenzylamine derivatives with acetylcholinesterase, monoamine oxidases and β-amyloid aggregation inhibitory activities as potential agents against Alzheimer's disease. Bioorg Med Chem, Volume 26 (8), 2018";ChEMBL
Testosterone;MM00423;CC12CCC(=O)C=C1CCC1C2CCC2(C)C(O)CCC12;MUMGGOZAMZWBJJ-UHFFFAOYSA-N;288.43;3.88;6013;DB00624;TES;CHEMBL386630;BBB;EPAM;25;0;"<a href=https://www.ebi.ac.uk/chembl/assay_report_card/CHEMBL3796842/  target=_blank>CHEMBL3796842</a>";;;;;;;;;-4.68;;;;;;;;;;;;"Pan W, Hu K, Bai P, Yu L, Ma Q, Li T, Zhang X, Chen C, Peng K, Liu W, Sang Z.: Design, synthesis and evaluation of novel ferulic acid-memoquin hybrids as potential multifunctional agents for the treatment of Alzheimer's disease. Bioorg Med Chem Lett, Volume 26 (10), 2016";ChEMBL
Testosterone;MM00423;CC12CCC(=O)C=C1CCC1C2CCC2(C)C(O)CCC12;MUMGGOZAMZWBJJ-UHFFFAOYSA-N;288.43;3.88;6013;DB00624;TES;CHEMBL386630;BBB;EPAM;25;0;"<a href=https://www.ebi.ac.uk/chembl/assay_report_card/CHEMBL4048094/  target=_blank>CHEMBL4048094</a>";;;;;;;;;-4.79;;;;;;;;;;;;"Sang Z, Wang K, Wang H, Yu L, Wang H, Ma Q, Ye M, Han X, Liu W.: Design, synthesis and biological evaluation of phthalimide-alkylamine derivatives as balanced multifunctional cholinesterase and monoamine oxidase-B inhibitors for the treatment of Alzheimer's disease. Bioorg Med Chem Lett, Volume 27 (22), 2017";ChEMBL
Testosterone;MM00423;CC12CCC(=O)C=C1CCC1C2CCC2(C)C(O)CCC12;MUMGGOZAMZWBJJ-UHFFFAOYSA-N;288.43;3.88;6013;DB00624;TES;CHEMBL386630;BBB;EPAM;25;0;"<a href=https://www.ebi.ac.uk/chembl/assay_report_card/CHEMBL4122775/  target=_blank>CHEMBL4122775</a>";;;;;;;;;-4.79;;;;;;;;;;;;"Wang T, Tang Y, Yang Y, An Q, Sang Z, Yang T, Liu P, Zhang T, Deng Y, Luo Y.: Discovery of novel anti-tuberculosis agents with pyrrolo[1,2-a]quinoxaline-based scaffold. Bioorg Med Chem Lett, Volume 28 (11), 2018";ChEMBL
Testosterone;MM00423;CC12CCC(=O)C=C1CCC1C2CCC2(C)C(O)CCC12;MUMGGOZAMZWBJJ-UHFFFAOYSA-N;288.43;3.88;6013;DB00624;TES;CHEMBL386630;BBB;EPAM;25;0;"<a href=https://www.ebi.ac.uk/chembl/assay_report_card/CHEMBL4122776/  target=_blank>CHEMBL4122776</a>";;;;;;;;;-4.77;;;;;;;;;;;;"Wang T, Tang Y, Yang Y, An Q, Sang Z, Yang T, Liu P, Zhang T, Deng Y, Luo Y.: Discovery of novel anti-tuberculosis agents with pyrrolo[1,2-a]quinoxaline-based scaffold. Bioorg Med Chem Lett, Volume 28 (11), 2018";ChEMBL
Testosterone;MM00423;CC12CCC(=O)C=C1CCC1C2CCC2(C)C(O)CCC12;MUMGGOZAMZWBJJ-UHFFFAOYSA-N;288.43;3.88;6013;DB00624;TES;CHEMBL386630;BBB;EPAM;25;0;"<a href=https://www.ebi.ac.uk/chembl/assay_report_card/CHEMBL4354765/  target=_blank>CHEMBL4354765</a>";;;;;;;;;-4.79;;;;;;;;;;;;"Zhu G, Wang K, Shi J, Zhang P, Yang D, Fan X, Zhang Z, Liu W, Sang Z.: The development of 2-acetylphenol-donepezil hybrids as multifunctional agents for the treatment of Alzheimer's disease. Bioorg Med Chem Lett, Volume 29 (19), 2019";ChEMBL
Testosterone;MM00423;CC12CCC(=O)C=C1CCC1C2CCC2(C)C(O)CCC12;MUMGGOZAMZWBJJ-UHFFFAOYSA-N;288.43;3.88;6013;DB00624;TES;CHEMBL386630;BBB;EPAM;25;0;"<a href=https://www.ebi.ac.uk/chembl/assay_report_card/CHEMBL4354771/  target=_blank>CHEMBL4354771</a>";;;;;;;;;-4.77;;;;;;;;;;;;"Zhu G, Wang K, Shi J, Zhang P, Yang D, Fan X, Zhang Z, Liu W, Sang Z.: The development of 2-acetylphenol-donepezil hybrids as multifunctional agents for the treatment of Alzheimer's disease. Bioorg Med Chem Lett, Volume 29 (19), 2019";ChEMBL
Testosterone;MM00423;CC12CCC(=O)C=C1CCC1C2CCC2(C)C(O)CCC12;MUMGGOZAMZWBJJ-UHFFFAOYSA-N;288.43;3.88;6013;DB00624;TES;CHEMBL386630;BBB;EPAM;25;0;"<a href=https://www.ebi.ac.uk/chembl/assay_report_card/CHEMBL1929957/  target=_blank>CHEMBL1929957</a>";;;;;;;;;-4.82;;;;;;;;;;;;"Redondo M, Zarruk JG, Ceballos P, Pérez DI, Pérez C, Perez-Castillo A, Moro MA, Brea J, Val C, Cadavid MI, Loza MI, Campillo NE, Martínez A, Gil C.: Neuroprotective efficacy of quinazoline type phosphodiesterase 7 inhibitors in cellular cultures and experimental stroke model. Eur J Med Chem, Volume 47 (1), 2012";ChEMBL
Testosterone;MM00423;CC12CCC(=O)C=C1CCC1C2CCC2(C)C(O)CCC12;MUMGGOZAMZWBJJ-UHFFFAOYSA-N;288.43;3.88;6013;DB00624;TES;CHEMBL386630;BBB;EPAM;25;0;"<a href=https://www.ebi.ac.uk/chembl/assay_report_card/CHEMBL3123849/  target=_blank>CHEMBL3123849</a>";;;;;;;;;-4.77;;;;;;;;;;;;"Di Pietro O, Viayna E, Vicente-García E, Bartolini M, Ramón R, Juárez-Jiménez J, Clos MV, Pérez B, Andrisano V, Luque FJ, Lavilla R, Muñoz-Torrero D.: 1,2,3,4-Tetrahydrobenzo[h][1,6]naphthyridines as a new family of potent peripheral-to-midgorge-site inhibitors of acetylcholinesterase: synthesis, pharmacological evaluation and mechanistic studies. Eur J Med Chem, Volume 73, 2014";ChEMBL
Testosterone;MM00423;CC12CCC(=O)C=C1CCC1C2CCC2(C)C(O)CCC12;MUMGGOZAMZWBJJ-UHFFFAOYSA-N;288.43;3.88;6013;DB00624;TES;CHEMBL386630;BBB;EPAM;25;0;"<a href=https://www.ebi.ac.uk/chembl/assay_report_card/CHEMBL3372306/  target=_blank>CHEMBL3372306</a>";;;;;;;;;-4.65;;;;;;;;;;;;"Huang L, Miao H, Sun Y, Meng F, Li X.: Discovery of indanone derivatives as multi-target-directed ligands against Alzheimer's disease. Eur J Med Chem, Volume 87, 2014";ChEMBL
Testosterone;MM00423;CC12CCC(=O)C=C1CCC1C2CCC2(C)C(O)CCC12;MUMGGOZAMZWBJJ-UHFFFAOYSA-N;288.43;3.88;6013;DB00624;TES;CHEMBL386630;BBB;EPAM;25;0;"<a href=https://www.ebi.ac.uk/chembl/assay_report_card/CHEMBL4011777/  target=_blank>CHEMBL4011777</a>";;;;;;;;;-4.79;;;;;;;;;;;;"Sang Z, Pan W, Wang K, Ma Q, Yu L, Yang Y, Bai P, Leng C, Xu Q, Li X, Tan Z, Liu W.: Design, synthesis and evaluation of novel ferulic acid-O-alkylamine derivatives as potential multifunctional agents for the treatment of Alzheimer's disease. Eur J Med Chem, Volume 130, 2017";ChEMBL
Testosterone;MM00423;CC12CCC(=O)C=C1CCC1C2CCC2(C)C(O)CCC12;MUMGGOZAMZWBJJ-UHFFFAOYSA-N;288.43;3.88;6013;DB00624;TES;CHEMBL386630;BBB;EPAM;25;0;"<a href=https://www.ebi.ac.uk/chembl/assay_report_card/CHEMBL4034191/  target=_blank>CHEMBL4034191</a>";;;;;;;;;-4.63;;;;;;;;;;;;"Lan JS, Zhang T, Liu Y, Yang J, Xie SS, Liu J, Miao ZY, Ding Y.: Design, synthesis and biological activity of novel donepezil derivatives bearing N-benzyl pyridinium moiety as potent and dual binding site acetylcholinesterase inhibitors. Eur J Med Chem, Volume 133, 2017";ChEMBL
Testosterone;MM00423;CC12CCC(=O)C=C1CCC1C2CCC2(C)C(O)CCC12;MUMGGOZAMZWBJJ-UHFFFAOYSA-N;288.43;3.88;6013;DB00624;TES;CHEMBL386630;BBB;EPAM;25;0;"<a href=https://www.ebi.ac.uk/chembl/assay_report_card/CHEMBL4034201/  target=_blank>CHEMBL4034201</a>";;;;;;;;;-4.77;;;;;;;;;;;;"Lan JS, Zhang T, Liu Y, Yang J, Xie SS, Liu J, Miao ZY, Ding Y.: Design, synthesis and biological activity of novel donepezil derivatives bearing N-benzyl pyridinium moiety as potent and dual binding site acetylcholinesterase inhibitors. Eur J Med Chem, Volume 133, 2017";ChEMBL
Testosterone;MM00423;CC12CCC(=O)C=C1CCC1C2CCC2(C)C(O)CCC12;MUMGGOZAMZWBJJ-UHFFFAOYSA-N;288.43;3.88;6013;DB00624;TES;CHEMBL386630;BBB;EPAM;25;0;"<a href=https://www.ebi.ac.uk/chembl/assay_report_card/CHEMBL4193311/  target=_blank>CHEMBL4193311</a>";;;;;;;;;-4.74;;;;;;;;;;;;"Lan JS, Ding Y, Liu Y, Kang P, Hou JW, Zhang XY, Xie SS, Zhang T.: Design, synthesis and biological evaluation of novel coumarin-N-benzyl pyridinium hybrids as multi-target agents for the treatment of Alzheimer's disease. Eur J Med Chem, Volume 139, 2017";ChEMBL
Testosterone;MM00423;CC12CCC(=O)C=C1CCC1C2CCC2(C)C(O)CCC12;MUMGGOZAMZWBJJ-UHFFFAOYSA-N;288.43;3.88;6013;DB00624;TES;CHEMBL386630;BBB;EPAM;25;0;"<a href=https://www.ebi.ac.uk/chembl/assay_report_card/CHEMBL4193312/  target=_blank>CHEMBL4193312</a>";;;;;;;;;-4.77;;;;;;;;;;;;"Lan JS, Ding Y, Liu Y, Kang P, Hou JW, Zhang XY, Xie SS, Zhang T.: Design, synthesis and biological evaluation of novel coumarin-N-benzyl pyridinium hybrids as multi-target agents for the treatment of Alzheimer's disease. Eur J Med Chem, Volume 139, 2017";ChEMBL
Testosterone;MM00423;CC12CCC(=O)C=C1CCC1C2CCC2(C)C(O)CCC12;MUMGGOZAMZWBJJ-UHFFFAOYSA-N;288.43;3.88;6013;DB00624;TES;CHEMBL386630;BBB;EPAM;25;0;"<a href=https://www.ebi.ac.uk/chembl/assay_report_card/CHEMBL4193463/  target=_blank>CHEMBL4193463</a>";;;;;;;;;-4.68;;;;;;;;;;;;"Wang J, Cai P, Yang XL, Li F, Wu JJ, Kong LY, Wang XB.: Novel cinnamamide-dibenzylamine hybrids: Potent neurogenic agents with antioxidant, cholinergic, and neuroprotective properties as innovative drugs for Alzheimer's disease. Eur J Med Chem, Volume 139, 2017";ChEMBL
Testosterone;MM00423;CC12CCC(=O)C=C1CCC1C2CCC2(C)C(O)CCC12;MUMGGOZAMZWBJJ-UHFFFAOYSA-N;288.43;3.88;6013;DB00624;TES;CHEMBL386630;BBB;EPAM;25;0;"<a href=https://www.ebi.ac.uk/chembl/assay_report_card/CHEMBL4142614/  target=_blank>CHEMBL4142614</a>";;;;;;;;;-4.81;;;;;;;;;;;;"Xu YX, Wang H, Li XK, Dong SN, Liu WW, Gong Q, Wang TD, Tang Y, Zhu J, Li J, Zhang HY, Mao F.: Discovery of novel propargylamine-modified 4-aminoalkyl imidazole substituted pyrimidinylthiourea derivatives as multifunctional agents for the treatment of Alzheimer's disease. Eur J Med Chem, Volume 143, 2018";ChEMBL
Testosterone;MM00423;CC12CCC(=O)C=C1CCC1C2CCC2(C)C(O)CCC12;MUMGGOZAMZWBJJ-UHFFFAOYSA-N;288.43;3.88;6013;DB00624;TES;CHEMBL386630;BBB;EPAM;25;0;"<a href=https://www.ebi.ac.uk/chembl/assay_report_card/CHEMBL4268507/  target=_blank>CHEMBL4268507</a>";;;;;;;;;-4.76;;;;;;;;;;;;"Reis J, Cagide F, Valencia ME, Teixeira J, Bagetta D, Pérez C, Uriarte E, Oliveira PJ, Ortuso F, Alcaro S, Rodríguez-Franco MI, Borges F.: Multi-target-directed ligands for Alzheimer's disease: Discovery of chromone-based monoamine oxidase/cholinesterase inhibitors. Eur J Med Chem, Volume 158, 2018";ChEMBL
Testosterone;MM00423;CC12CCC(=O)C=C1CCC1C2CCC2(C)C(O)CCC12;MUMGGOZAMZWBJJ-UHFFFAOYSA-N;288.43;3.88;6013;DB00624;TES;CHEMBL386630;BBB;EPAM;25;0;"<a href=https://www.ebi.ac.uk/chembl/assay_report_card/CHEMBL4268508/  target=_blank>CHEMBL4268508</a>";;;;;;;;;-4.77;;;;;;;;;;;;"Reis J, Cagide F, Valencia ME, Teixeira J, Bagetta D, Pérez C, Uriarte E, Oliveira PJ, Ortuso F, Alcaro S, Rodríguez-Franco MI, Borges F.: Multi-target-directed ligands for Alzheimer's disease: Discovery of chromone-based monoamine oxidase/cholinesterase inhibitors. Eur J Med Chem, Volume 158, 2018";ChEMBL
Testosterone;MM00423;CC12CCC(=O)C=C1CCC1C2CCC2(C)C(O)CCC12;MUMGGOZAMZWBJJ-UHFFFAOYSA-N;288.43;3.88;6013;DB00624;TES;CHEMBL386630;BBB;EPAM;25;0;"<a href=https://www.ebi.ac.uk/chembl/assay_report_card/CHEMBL4331636/  target=_blank>CHEMBL4331636</a>";;;;;;;;;-4.76;;;;;;;;;;;;"Tang YW, Shi CJ, Yang HL, Cai P, Liu QH, Yang XL, Kong LY, Wang XB.: Synthesis and evaluation of isoprenylation-resveratrol dimer derivatives against Alzheimer's disease. Eur J Med Chem, Volume 163, 2019";ChEMBL
Testosterone;MM00423;CC12CCC(=O)C=C1CCC1C2CCC2(C)C(O)CCC12;MUMGGOZAMZWBJJ-UHFFFAOYSA-N;288.43;3.88;6013;DB00624;TES;CHEMBL386630;BBB;EPAM;25;0;"<a href=https://www.ebi.ac.uk/chembl/assay_report_card/CHEMBL4331637/  target=_blank>CHEMBL4331637</a>";;;;;;;;;-4.77;;;;;;;;;;;;"Tang YW, Shi CJ, Yang HL, Cai P, Liu QH, Yang XL, Kong LY, Wang XB.: Synthesis and evaluation of isoprenylation-resveratrol dimer derivatives against Alzheimer's disease. Eur J Med Chem, Volume 163, 2019";ChEMBL
Testosterone;MM00423;CC12CCC(=O)C=C1CCC1C2CCC2(C)C(O)CCC12;MUMGGOZAMZWBJJ-UHFFFAOYSA-N;288.43;3.88;6013;DB00624;TES;CHEMBL386630;BBB;EPAM;25;0;"<a href=https://www.ebi.ac.uk/chembl/assay_report_card/CHEMBL4307309/  target=_blank>CHEMBL4307309</a>";;;;;;;;;-4.77;;;;;;;;;;;;"Pérez-Areales FJ, Turcu AL, Barniol-Xicota M, Pont C, Pivetta D, Espargaró A, Bartolini M, De Simone A, Andrisano V, Pérez B, Sabate R, Sureda FX, Vázquez S, Muñoz-Torrero D.: A novel class of multitarget anti-Alzheimer benzohomoadamantane‒chlorotacrine hybrids modulating cholinesterases and glutamate NMDA receptors. Eur J Med Chem, Volume 180, 2019";ChEMBL
Testosterone;MM00423;CC12CCC(=O)C=C1CCC1C2CCC2(C)C(O)CCC12;MUMGGOZAMZWBJJ-UHFFFAOYSA-N;288.43;3.88;6013;DB00624;TES;CHEMBL386630;BBB;EPAM;25;0;"<a href=https://www.ebi.ac.uk/chembl/assay_report_card/CHEMBL4314243/  target=_blank>CHEMBL4314243</a>";;;;;;;;;-4.79;;;;;;;;;;;;"Bai P, Wang K, Zhang P, Shi J, Cheng X, Zhang Q, Zheng C, Cheng Y, Yang J, Lu X, Sang Z.: Development of chalcone-O-alkylamine derivatives as multifunctional agents against Alzheimer's disease. Eur J Med Chem, Volume 183, 2019";ChEMBL
Testosterone;MM00423;CC12CCC(=O)C=C1CCC1C2CCC2(C)C(O)CCC12;MUMGGOZAMZWBJJ-UHFFFAOYSA-N;288.43;3.88;6013;DB00624;TES;CHEMBL386630;BBB;EPAM;25;0;"<a href=https://www.ebi.ac.uk/chembl/assay_report_card/CHEMBL4314272/  target=_blank>CHEMBL4314272</a>";;;;;;;;;-4.77;;;;;;;;;;;;"Bai P, Wang K, Zhang P, Shi J, Cheng X, Zhang Q, Zheng C, Cheng Y, Yang J, Lu X, Sang Z.: Development of chalcone-O-alkylamine derivatives as multifunctional agents against Alzheimer's disease. Eur J Med Chem, Volume 183, 2019";ChEMBL
Testosterone;MM00423;CC12CCC(=O)C=C1CCC1C2CCC2(C)C(O)CCC12;MUMGGOZAMZWBJJ-UHFFFAOYSA-N;288.43;3.88;6013;DB00624;TES;CHEMBL386630;BBB;EPAM;25;0;"<a href=https://www.ebi.ac.uk/chembl/assay_report_card/CHEMBL3587320/  target=_blank>CHEMBL3587320</a>";;;;;;;;;-4.77;;;;;;;;;;;;"Cahlíková L, Pérez DI, Štěpánková Š, Chlebek J, Šafratová M, Hošt'álková A, Opletal L.: In Vitro Inhibitory Effects of 8-O-Demethylmaritidine and Undulatine on Acetylcholinesterase and Their Predicted Penetration across the Blood-Brain Barrier. J Nat Prod, Volume 78 (6), 2015";ChEMBL
Testosterone;MM00423;CC12CCC(=O)C=C1CCC1C2CCC2(C)C(O)CCC12;MUMGGOZAMZWBJJ-UHFFFAOYSA-N;288.43;3.88;6013;DB00624;TES;CHEMBL386630;BBB;EPAM;25;0;"<a href=https://www.ebi.ac.uk/chembl/assay_report_card/CHEMBL3587321/  target=_blank>CHEMBL3587321</a>";;;;;;;;;-4.65;;;;;;;;;;;;"Cahlíková L, Pérez DI, Štěpánková Š, Chlebek J, Šafratová M, Hošt'álková A, Opletal L.: In Vitro Inhibitory Effects of 8-O-Demethylmaritidine and Undulatine on Acetylcholinesterase and Their Predicted Penetration across the Blood-Brain Barrier. J Nat Prod, Volume 78 (6), 2015";ChEMBL
Testosterone;MM00423;CC12CCC(=O)C=C1CCC1C2CCC2(C)C(O)CCC12;MUMGGOZAMZWBJJ-UHFFFAOYSA-N;288.43;3.88;6013;DB00624;TES;CHEMBL386630;BBB;EPAM;25;0;"<a href=https://www.ebi.ac.uk/chembl/assay_report_card/CHEMBL1052382/  target=_blank>CHEMBL1052382</a>";;;;;;;;;-4.77;;;;;;;;;;;;"Camps P, Formosa X, Galdeano C, Muñoz-Torrero D, Ramírez L, Gómez E, Isambert N, Lavilla R, Badia A, Clos MV, Bartolini M, Mancini F, Andrisano V, Arce MP, Rodríguez-Franco MI, Huertas O, Dafni T, Luque FJ.: Pyrano[3,2-c]quinoline-6-chlorotacrine hybrids as a novel family of acetylcholinesterase- and beta-amyloid-directed anti-Alzheimer compounds. J Med Chem, Volume 52 (17), 2009";ChEMBL
Testosterone;MM00423;CC12CCC(=O)C=C1CCC1C2CCC2(C)C(O)CCC12;MUMGGOZAMZWBJJ-UHFFFAOYSA-N;288.43;3.88;6013;DB00624;TES;CHEMBL386630;BBB;EPAM;25;0;"<a href=https://www.ebi.ac.uk/chembl/assay_report_card/CHEMBL1052383/  target=_blank>CHEMBL1052383</a>";;;;;;;;;-4.41;;;;;;;;;;;;"Camps P, Formosa X, Galdeano C, Muñoz-Torrero D, Ramírez L, Gómez E, Isambert N, Lavilla R, Badia A, Clos MV, Bartolini M, Mancini F, Andrisano V, Arce MP, Rodríguez-Franco MI, Huertas O, Dafni T, Luque FJ.: Pyrano[3,2-c]quinoline-6-chlorotacrine hybrids as a novel family of acetylcholinesterase- and beta-amyloid-directed anti-Alzheimer compounds. J Med Chem, Volume 52 (17), 2009";ChEMBL
Testosterone;MM00423;CC12CCC(=O)C=C1CCC1C2CCC2(C)C(O)CCC12;MUMGGOZAMZWBJJ-UHFFFAOYSA-N;288.43;3.88;6013;DB00624;TES;CHEMBL386630;BBB;EPAM;25;0;"<a href=https://www.ebi.ac.uk/chembl/assay_report_card/CHEMBL1052384/  target=_blank>CHEMBL1052384</a>";;;;;;;;;-4.56;;;;;;;;;;;;"Camps P, Formosa X, Galdeano C, Muñoz-Torrero D, Ramírez L, Gómez E, Isambert N, Lavilla R, Badia A, Clos MV, Bartolini M, Mancini F, Andrisano V, Arce MP, Rodríguez-Franco MI, Huertas O, Dafni T, Luque FJ.: Pyrano[3,2-c]quinoline-6-chlorotacrine hybrids as a novel family of acetylcholinesterase- and beta-amyloid-directed anti-Alzheimer compounds. J Med Chem, Volume 52 (17), 2009";ChEMBL
Testosterone;MM00423;CC12CCC(=O)C=C1CCC1C2CCC2(C)C(O)CCC12;MUMGGOZAMZWBJJ-UHFFFAOYSA-N;288.43;3.88;6013;DB00624;TES;CHEMBL386630;BBB;EPAM;25;0;"<a href=https://www.ebi.ac.uk/chembl/assay_report_card/CHEMBL3821787/  target=_blank>CHEMBL3821787</a>";;;;;;;;;-4.81;;;;;;;;;;;;10.1039/C6MD00053C;ChEMBL
Testosterone;MM00423;CC12CCC(=O)C=C1CCC1C2CCC2(C)C(O)CCC12;MUMGGOZAMZWBJJ-UHFFFAOYSA-N;288.43;3.88;6013;DB00624;TES;CHEMBL386630;BBB;EPAM;25;0;"<a href=https://www.ebi.ac.uk/chembl/assay_report_card/CHEMBL3821788/  target=_blank>CHEMBL3821788</a>";;;;;;;;;-4.77;;;;;;;;;;;;10.1039/C6MD00053C;ChEMBL
MM471070;MM471070;O=S(=O)(c1ccccc1)n1ccc2c(N3CCN(CCCCCCCCNc4c5c(nc6ccccc46)CCCC5)CC3)cccc21;FZNAHZCVWVQRSJ-UHFFFAOYSA-N;649.91;7.88;;;;;BBB;EPAM;25;0;"<a href=https://www.ebi.ac.uk/chembl/assay_report_card/CHEMBL3875283/  target=_blank>CHEMBL3875283</a>";;;;;;;;;-4.7;;;;;;;;;;;;"Więckowska A, Kołaczkowski M, Bucki A, Godyń J, Marcinkowska M, Więckowski K, Zaręba P, Siwek A, Kazek G, Głuch-Lutwin M, Mierzejewski P, Bienkowski P, Sienkiewicz-Jarosz H, Knez D, Wichur T, Gobec S, Malawska B.: Novel multi-target-directed ligands for Alzheimer's disease: Combining cholinesterase inhibitors and 5-HT<sub>6</sub> receptor antagonists. Design, synthesis and biological evaluation. Eur J Med Chem, Volume 124, 2016";ChEMBL
MM471068;MM471068;O=S(=O)(c1ccccc1)n1ccc2c(N3CCN(CCCCCNc4c5c(nc6ccccc46)CCCC5)CC3)cccc21;QVMOLXHRHHMTTI-UHFFFAOYSA-N;607.82;6.71;;;;;BBB;EPAM;25;0;"<a href=https://www.ebi.ac.uk/chembl/assay_report_card/CHEMBL3875283/  target=_blank>CHEMBL3875283</a>";;;;;;;;;-4.3;;;;;;;;;;;;"Więckowska A, Kołaczkowski M, Bucki A, Godyń J, Marcinkowska M, Więckowski K, Zaręba P, Siwek A, Kazek G, Głuch-Lutwin M, Mierzejewski P, Bienkowski P, Sienkiewicz-Jarosz H, Knez D, Wichur T, Gobec S, Malawska B.: Novel multi-target-directed ligands for Alzheimer's disease: Combining cholinesterase inhibitors and 5-HT<sub>6</sub> receptor antagonists. Design, synthesis and biological evaluation. Eur J Med Chem, Volume 124, 2016";ChEMBL
MM471067;MM471067;O=S(=O)(c1ccccc1)n1ccc2c(N3CCN(CCNc4c5c(nc6ccccc46)CCCC5)CC3)cccc21;HFXNFOSTKCPMIS-UHFFFAOYSA-N;565.74;5.54;;;;;BBB;EPAM;25;0;"<a href=https://www.ebi.ac.uk/chembl/assay_report_card/CHEMBL3875283/  target=_blank>CHEMBL3875283</a>";;;;;;;;;-4.4;;;;;;;;;;;;"Więckowska A, Kołaczkowski M, Bucki A, Godyń J, Marcinkowska M, Więckowski K, Zaręba P, Siwek A, Kazek G, Głuch-Lutwin M, Mierzejewski P, Bienkowski P, Sienkiewicz-Jarosz H, Knez D, Wichur T, Gobec S, Malawska B.: Novel multi-target-directed ligands for Alzheimer's disease: Combining cholinesterase inhibitors and 5-HT<sub>6</sub> receptor antagonists. Design, synthesis and biological evaluation. Eur J Med Chem, Volume 124, 2016";ChEMBL
MM471069;MM471069;O=S(=O)(c1ccccc1)n1ccc2c(N3CCN(CCCCCCNc4c5c(nc6ccccc46)CCCC5)CC3)cccc21;INTOYXAUMDZZCK-UHFFFAOYSA-N;621.85;7.1;;;;;BBB;EPAM;25;0;"<a href=https://www.ebi.ac.uk/chembl/assay_report_card/CHEMBL3875283/  target=_blank>CHEMBL3875283</a>";;;;;;;;;-4.4;;;;;;;;;;;;"Więckowska A, Kołaczkowski M, Bucki A, Godyń J, Marcinkowska M, Więckowski K, Zaręba P, Siwek A, Kazek G, Głuch-Lutwin M, Mierzejewski P, Bienkowski P, Sienkiewicz-Jarosz H, Knez D, Wichur T, Gobec S, Malawska B.: Novel multi-target-directed ligands for Alzheimer's disease: Combining cholinesterase inhibitors and 5-HT<sub>6</sub> receptor antagonists. Design, synthesis and biological evaluation. Eur J Med Chem, Volume 124, 2016";ChEMBL
MM471140;MM471140;COc1cc(/C=C/C(=O)Nc2ccc(CN(C)Cc3ccccc3)cc2)ccc1O;IXTWYODPRCKMGS-RVDMUPIBSA-N;402.49;4.68;;;;;BBB;EPAM;25;0;"<a href=https://www.ebi.ac.uk/chembl/assay_report_card/CHEMBL4193463/  target=_blank>CHEMBL4193463</a>";;;;;;;;;-5.21;;;;;;;;;;;;"Wang J, Cai P, Yang XL, Li F, Wu JJ, Kong LY, Wang XB.: Novel cinnamamide-dibenzylamine hybrids: Potent neurogenic agents with antioxidant, cholinergic, and neuroprotective properties as innovative drugs for Alzheimer's disease. Eur J Med Chem, Volume 139, 2017";ChEMBL
Hydrocortisone;MM00044;CC12CCC(=O)C=C1CCC1C2C(O)CC2(C)C1CCC2(O)C(=O)CO;JYGXADMDTFJGBT-UHFFFAOYSA-N;362.47;1.78;5754;DB00741;HCY;CHEMBL389621;BBB;EPAM;25;0;"<a href=https://www.ebi.ac.uk/chembl/assay_report_card/CHEMBL3366747/  target=_blank>CHEMBL3366747</a>";;;;;;;;;-5.85;;;;;;;;;;;;"Pérez-Areales FJ, Di Pietro O, Espargaró A, Vallverdú-Queralt A, Galdeano C, Ragusa IM, Viayna E, Guillou C, Clos MV, Pérez B, Sabaté R, Lamuela-Raventós RM, Luque FJ, Muñoz-Torrero D.: Shogaol-huprine hybrids: dual antioxidant and anticholinesterase agents with β-amyloid and tau anti-aggregating properties. Bioorg Med Chem, Volume 22 (19), 2014";ChEMBL
Hydrocortisone;MM00044;CC12CCC(=O)C=C1CCC1C2C(O)CC2(C)C1CCC2(O)C(=O)CO;JYGXADMDTFJGBT-UHFFFAOYSA-N;362.47;1.78;5754;DB00741;HCY;CHEMBL389621;BBB;EPAM;25;0;"<a href=https://www.ebi.ac.uk/chembl/assay_report_card/CHEMBL3826717/  target=_blank>CHEMBL3826717</a>";;;;;;;;;-5.8;;;;;;;;;;;;"Wang J, Wang ZM, Li XM, Li F, Wu JJ, Kong LY, Wang XB.: Synthesis and evaluation of multi-target-directed ligands for the treatment of Alzheimer's disease based on the fusion of donepezil and melatonin. Bioorg Med Chem, Volume 24 (18), 2016";ChEMBL
Hydrocortisone;MM00044;CC12CCC(=O)C=C1CCC1C2C(O)CC2(C)C1CCC2(O)C(=O)CO;JYGXADMDTFJGBT-UHFFFAOYSA-N;362.47;1.78;5754;DB00741;HCY;CHEMBL389621;BBB;EPAM;25;0;"<a href=https://www.ebi.ac.uk/chembl/assay_report_card/CHEMBL3863409/  target=_blank>CHEMBL3863409</a>";;;;;;;;;-5.82;;;;;;;;;;;;"Wang Z, Wu J, Yang X, Cai P, Liu Q, Wang KDG, Kong L, Wang X.: Neuroprotective effects of benzyloxy substituted small molecule monoamine oxidase B inhibitors in Parkinson's disease. Bioorg Med Chem, Volume 24 (22), 2016";ChEMBL
Hydrocortisone;MM00044;CC12CCC(=O)C=C1CCC1C2C(O)CC2(C)C1CCC2(O)C(=O)CO;JYGXADMDTFJGBT-UHFFFAOYSA-N;362.47;1.78;5754;DB00741;HCY;CHEMBL389621;BBB;EPAM;25;0;"<a href=https://www.ebi.ac.uk/chembl/assay_report_card/CHEMBL3863410/  target=_blank>CHEMBL3863410</a>";;;;;;;;;-5.72;;;;;;;;;;;;"Wang Z, Wu J, Yang X, Cai P, Liu Q, Wang KDG, Kong L, Wang X.: Neuroprotective effects of benzyloxy substituted small molecule monoamine oxidase B inhibitors in Parkinson's disease. Bioorg Med Chem, Volume 24 (22), 2016";ChEMBL
Hydrocortisone;MM00044;CC12CCC(=O)C=C1CCC1C2C(O)CC2(C)C1CCC2(O)C(=O)CO;JYGXADMDTFJGBT-UHFFFAOYSA-N;362.47;1.78;5754;DB00741;HCY;CHEMBL389621;BBB;EPAM;25;0;"<a href=https://www.ebi.ac.uk/chembl/assay_report_card/CHEMBL4179547/  target=_blank>CHEMBL4179547</a>";;;;;;;;;-5.71;;;;;;;;;;;;"Yang HL, Cai P, Liu QH, Yang XL, Fang SQ, Tang YW, Wang C, Wang XB, Kong LY.: Design, synthesis, and evaluation of salicyladimine derivatives as multitarget-directed ligands against Alzheimer's disease. Bioorg Med Chem, Volume 25 (21), 2017";ChEMBL
Hydrocortisone;MM00044;CC12CCC(=O)C=C1CCC1C2C(O)CC2(C)C1CCC2(O)C(=O)CO;JYGXADMDTFJGBT-UHFFFAOYSA-N;362.47;1.78;5754;DB00741;HCY;CHEMBL389621;BBB;EPAM;25;0;"<a href=https://www.ebi.ac.uk/chembl/assay_report_card/CHEMBL3796842/  target=_blank>CHEMBL3796842</a>";;;;;;;;;-6.24;;;;;;;;;;;;"Pan W, Hu K, Bai P, Yu L, Ma Q, Li T, Zhang X, Chen C, Peng K, Liu W, Sang Z.: Design, synthesis and evaluation of novel ferulic acid-memoquin hybrids as potential multifunctional agents for the treatment of Alzheimer's disease. Bioorg Med Chem Lett, Volume 26 (10), 2016";ChEMBL
Hydrocortisone;MM00044;CC12CCC(=O)C=C1CCC1C2C(O)CC2(C)C1CCC2(O)C(=O)CO;JYGXADMDTFJGBT-UHFFFAOYSA-N;362.47;1.78;5754;DB00741;HCY;CHEMBL389621;BBB;EPAM;25;0;"<a href=https://www.ebi.ac.uk/chembl/assay_report_card/CHEMBL1929957/  target=_blank>CHEMBL1929957</a>";;;;;;;;;-5.64;;;;;;;;;;;;"Redondo M, Zarruk JG, Ceballos P, Pérez DI, Pérez C, Perez-Castillo A, Moro MA, Brea J, Val C, Cadavid MI, Loza MI, Campillo NE, Martínez A, Gil C.: Neuroprotective efficacy of quinazoline type phosphodiesterase 7 inhibitors in cellular cultures and experimental stroke model. Eur J Med Chem, Volume 47 (1), 2012";ChEMBL
Hydrocortisone;MM00044;CC12CCC(=O)C=C1CCC1C2C(O)CC2(C)C1CCC2(O)C(=O)CO;JYGXADMDTFJGBT-UHFFFAOYSA-N;362.47;1.78;5754;DB00741;HCY;CHEMBL389621;BBB;EPAM;25;0;"<a href=https://www.ebi.ac.uk/chembl/assay_report_card/CHEMBL3123849/  target=_blank>CHEMBL3123849</a>";;;;;;;;;-5.85;;;;;;;;;;;;"Di Pietro O, Viayna E, Vicente-García E, Bartolini M, Ramón R, Juárez-Jiménez J, Clos MV, Pérez B, Andrisano V, Luque FJ, Lavilla R, Muñoz-Torrero D.: 1,2,3,4-Tetrahydrobenzo[h][1,6]naphthyridines as a new family of potent peripheral-to-midgorge-site inhibitors of acetylcholinesterase: synthesis, pharmacological evaluation and mechanistic studies. Eur J Med Chem, Volume 73, 2014";ChEMBL
Hydrocortisone;MM00044;CC12CCC(=O)C=C1CCC1C2C(O)CC2(C)C1CCC2(O)C(=O)CO;JYGXADMDTFJGBT-UHFFFAOYSA-N;362.47;1.78;5754;DB00741;HCY;CHEMBL389621;BBB;EPAM;25;0;"<a href=https://www.ebi.ac.uk/chembl/assay_report_card/CHEMBL3372306/  target=_blank>CHEMBL3372306</a>";;;;;;;;;-6.19;;;;;;;;;;;;"Huang L, Miao H, Sun Y, Meng F, Li X.: Discovery of indanone derivatives as multi-target-directed ligands against Alzheimer's disease. Eur J Med Chem, Volume 87, 2014";ChEMBL
Hydrocortisone;MM00044;CC12CCC(=O)C=C1CCC1C2C(O)CC2(C)C1CCC2(O)C(=O)CO;JYGXADMDTFJGBT-UHFFFAOYSA-N;362.47;1.78;5754;DB00741;HCY;CHEMBL389621;BBB;EPAM;25;0;"<a href=https://www.ebi.ac.uk/chembl/assay_report_card/CHEMBL4034191/  target=_blank>CHEMBL4034191</a>";;;;;;;;;-5.5;;;;;;;;;;;;"Lan JS, Zhang T, Liu Y, Yang J, Xie SS, Liu J, Miao ZY, Ding Y.: Design, synthesis and biological activity of novel donepezil derivatives bearing N-benzyl pyridinium moiety as potent and dual binding site acetylcholinesterase inhibitors. Eur J Med Chem, Volume 133, 2017";ChEMBL
Hydrocortisone;MM00044;CC12CCC(=O)C=C1CCC1C2C(O)CC2(C)C1CCC2(O)C(=O)CO;JYGXADMDTFJGBT-UHFFFAOYSA-N;362.47;1.78;5754;DB00741;HCY;CHEMBL389621;BBB;EPAM;25;0;"<a href=https://www.ebi.ac.uk/chembl/assay_report_card/CHEMBL4034201/  target=_blank>CHEMBL4034201</a>";;;;;;;;;-5.72;;;;;;;;;;;;"Lan JS, Zhang T, Liu Y, Yang J, Xie SS, Liu J, Miao ZY, Ding Y.: Design, synthesis and biological activity of novel donepezil derivatives bearing N-benzyl pyridinium moiety as potent and dual binding site acetylcholinesterase inhibitors. Eur J Med Chem, Volume 133, 2017";ChEMBL
Hydrocortisone;MM00044;CC12CCC(=O)C=C1CCC1C2C(O)CC2(C)C1CCC2(O)C(=O)CO;JYGXADMDTFJGBT-UHFFFAOYSA-N;362.47;1.78;5754;DB00741;HCY;CHEMBL389621;BBB;EPAM;25;0;"<a href=https://www.ebi.ac.uk/chembl/assay_report_card/CHEMBL4193311/  target=_blank>CHEMBL4193311</a>";;;;;;;;;-5.6;;;;;;;;;;;;"Lan JS, Ding Y, Liu Y, Kang P, Hou JW, Zhang XY, Xie SS, Zhang T.: Design, synthesis and biological evaluation of novel coumarin-N-benzyl pyridinium hybrids as multi-target agents for the treatment of Alzheimer's disease. Eur J Med Chem, Volume 139, 2017";ChEMBL
Hydrocortisone;MM00044;CC12CCC(=O)C=C1CCC1C2C(O)CC2(C)C1CCC2(O)C(=O)CO;JYGXADMDTFJGBT-UHFFFAOYSA-N;362.47;1.78;5754;DB00741;HCY;CHEMBL389621;BBB;EPAM;25;0;"<a href=https://www.ebi.ac.uk/chembl/assay_report_card/CHEMBL4193312/  target=_blank>CHEMBL4193312</a>";;;;;;;;;-5.72;;;;;;;;;;;;"Lan JS, Ding Y, Liu Y, Kang P, Hou JW, Zhang XY, Xie SS, Zhang T.: Design, synthesis and biological evaluation of novel coumarin-N-benzyl pyridinium hybrids as multi-target agents for the treatment of Alzheimer's disease. Eur J Med Chem, Volume 139, 2017";ChEMBL
Hydrocortisone;MM00044;CC12CCC(=O)C=C1CCC1C2C(O)CC2(C)C1CCC2(O)C(=O)CO;JYGXADMDTFJGBT-UHFFFAOYSA-N;362.47;1.78;5754;DB00741;HCY;CHEMBL389621;BBB;EPAM;25;0;"<a href=https://www.ebi.ac.uk/chembl/assay_report_card/CHEMBL4193463/  target=_blank>CHEMBL4193463</a>";;;;;;;;;-5.38;;;;;;;;;;;;"Wang J, Cai P, Yang XL, Li F, Wu JJ, Kong LY, Wang XB.: Novel cinnamamide-dibenzylamine hybrids: Potent neurogenic agents with antioxidant, cholinergic, and neuroprotective properties as innovative drugs for Alzheimer's disease. Eur J Med Chem, Volume 139, 2017";ChEMBL
Hydrocortisone;MM00044;CC12CCC(=O)C=C1CCC1C2C(O)CC2(C)C1CCC2(O)C(=O)CO;JYGXADMDTFJGBT-UHFFFAOYSA-N;362.47;1.78;5754;DB00741;HCY;CHEMBL389621;BBB;EPAM;25;0;"<a href=https://www.ebi.ac.uk/chembl/assay_report_card/CHEMBL4142614/  target=_blank>CHEMBL4142614</a>";;;;;;;;;-5.8;;;;;;;;;;;;"Xu YX, Wang H, Li XK, Dong SN, Liu WW, Gong Q, Wang TD, Tang Y, Zhu J, Li J, Zhang HY, Mao F.: Discovery of novel propargylamine-modified 4-aminoalkyl imidazole substituted pyrimidinylthiourea derivatives as multifunctional agents for the treatment of Alzheimer's disease. Eur J Med Chem, Volume 143, 2018";ChEMBL
Hydrocortisone;MM00044;CC12CCC(=O)C=C1CCC1C2C(O)CC2(C)C1CCC2(O)C(=O)CO;JYGXADMDTFJGBT-UHFFFAOYSA-N;362.47;1.78;5754;DB00741;HCY;CHEMBL389621;BBB;EPAM;25;0;"<a href=https://www.ebi.ac.uk/chembl/assay_report_card/CHEMBL4268507/  target=_blank>CHEMBL4268507</a>";;;;;;;;;-5.46;;;;;;;;;;;;"Reis J, Cagide F, Valencia ME, Teixeira J, Bagetta D, Pérez C, Uriarte E, Oliveira PJ, Ortuso F, Alcaro S, Rodríguez-Franco MI, Borges F.: Multi-target-directed ligands for Alzheimer's disease: Discovery of chromone-based monoamine oxidase/cholinesterase inhibitors. Eur J Med Chem, Volume 158, 2018";ChEMBL
Hydrocortisone;MM00044;CC12CCC(=O)C=C1CCC1C2C(O)CC2(C)C1CCC2(O)C(=O)CO;JYGXADMDTFJGBT-UHFFFAOYSA-N;362.47;1.78;5754;DB00741;HCY;CHEMBL389621;BBB;EPAM;25;0;"<a href=https://www.ebi.ac.uk/chembl/assay_report_card/CHEMBL4268508/  target=_blank>CHEMBL4268508</a>";;;;;;;;;-5.72;;;;;;;;;;;;"Reis J, Cagide F, Valencia ME, Teixeira J, Bagetta D, Pérez C, Uriarte E, Oliveira PJ, Ortuso F, Alcaro S, Rodríguez-Franco MI, Borges F.: Multi-target-directed ligands for Alzheimer's disease: Discovery of chromone-based monoamine oxidase/cholinesterase inhibitors. Eur J Med Chem, Volume 158, 2018";ChEMBL
Hydrocortisone;MM00044;CC12CCC(=O)C=C1CCC1C2C(O)CC2(C)C1CCC2(O)C(=O)CO;JYGXADMDTFJGBT-UHFFFAOYSA-N;362.47;1.78;5754;DB00741;HCY;CHEMBL389621;BBB;EPAM;25;0;"<a href=https://www.ebi.ac.uk/chembl/assay_report_card/CHEMBL4331636/  target=_blank>CHEMBL4331636</a>";;;;;;;;;-5.71;;;;;;;;;;;;"Tang YW, Shi CJ, Yang HL, Cai P, Liu QH, Yang XL, Kong LY, Wang XB.: Synthesis and evaluation of isoprenylation-resveratrol dimer derivatives against Alzheimer's disease. Eur J Med Chem, Volume 163, 2019";ChEMBL
Hydrocortisone;MM00044;CC12CCC(=O)C=C1CCC1C2C(O)CC2(C)C1CCC2(O)C(=O)CO;JYGXADMDTFJGBT-UHFFFAOYSA-N;362.47;1.78;5754;DB00741;HCY;CHEMBL389621;BBB;EPAM;25;0;"<a href=https://www.ebi.ac.uk/chembl/assay_report_card/CHEMBL4331637/  target=_blank>CHEMBL4331637</a>";;;;;;;;;-5.72;;;;;;;;;;;;"Tang YW, Shi CJ, Yang HL, Cai P, Liu QH, Yang XL, Kong LY, Wang XB.: Synthesis and evaluation of isoprenylation-resveratrol dimer derivatives against Alzheimer's disease. Eur J Med Chem, Volume 163, 2019";ChEMBL
Hydrocortisone;MM00044;CC12CCC(=O)C=C1CCC1C2C(O)CC2(C)C1CCC2(O)C(=O)CO;JYGXADMDTFJGBT-UHFFFAOYSA-N;362.47;1.78;5754;DB00741;HCY;CHEMBL389621;BBB;EPAM;25;0;"<a href=https://www.ebi.ac.uk/chembl/assay_report_card/CHEMBL4307308/  target=_blank>CHEMBL4307308</a>";;;;;;;;;-5.85;;;;;;;;;;;;"Pérez-Areales FJ, Turcu AL, Barniol-Xicota M, Pont C, Pivetta D, Espargaró A, Bartolini M, De Simone A, Andrisano V, Pérez B, Sabate R, Sureda FX, Vázquez S, Muñoz-Torrero D.: A novel class of multitarget anti-Alzheimer benzohomoadamantane‒chlorotacrine hybrids modulating cholinesterases and glutamate NMDA receptors. Eur J Med Chem, Volume 180, 2019";ChEMBL
Hydrocortisone;MM00044;CC12CCC(=O)C=C1CCC1C2C(O)CC2(C)C1CCC2(O)C(=O)CO;JYGXADMDTFJGBT-UHFFFAOYSA-N;362.47;1.78;5754;DB00741;HCY;CHEMBL389621;BBB;EPAM;25;0;"<a href=https://www.ebi.ac.uk/chembl/assay_report_card/CHEMBL4307309/  target=_blank>CHEMBL4307309</a>";;;;;;;;;-5.72;;;;;;;;;;;;"Pérez-Areales FJ, Turcu AL, Barniol-Xicota M, Pont C, Pivetta D, Espargaró A, Bartolini M, De Simone A, Andrisano V, Pérez B, Sabate R, Sureda FX, Vázquez S, Muñoz-Torrero D.: A novel class of multitarget anti-Alzheimer benzohomoadamantane‒chlorotacrine hybrids modulating cholinesterases and glutamate NMDA receptors. Eur J Med Chem, Volume 180, 2019";ChEMBL
Hydrocortisone;MM00044;CC12CCC(=O)C=C1CCC1C2C(O)CC2(C)C1CCC2(O)C(=O)CO;JYGXADMDTFJGBT-UHFFFAOYSA-N;362.47;1.78;5754;DB00741;HCY;CHEMBL389621;BBB;EPAM;25;0;"<a href=https://www.ebi.ac.uk/chembl/assay_report_card/CHEMBL3587320/  target=_blank>CHEMBL3587320</a>";;;;;;;;;-5.72;;;;;;;;;;;;"Cahlíková L, Pérez DI, Štěpánková Š, Chlebek J, Šafratová M, Hošt'álková A, Opletal L.: In Vitro Inhibitory Effects of 8-O-Demethylmaritidine and Undulatine on Acetylcholinesterase and Their Predicted Penetration across the Blood-Brain Barrier. J Nat Prod, Volume 78 (6), 2015";ChEMBL
Hydrocortisone;MM00044;CC12CCC(=O)C=C1CCC1C2C(O)CC2(C)C1CCC2(O)C(=O)CO;JYGXADMDTFJGBT-UHFFFAOYSA-N;362.47;1.78;5754;DB00741;HCY;CHEMBL389621;BBB;EPAM;25;0;"<a href=https://www.ebi.ac.uk/chembl/assay_report_card/CHEMBL3587321/  target=_blank>CHEMBL3587321</a>";;;;;;;;;-6.15;;;;;;;;;;;;"Cahlíková L, Pérez DI, Štěpánková Š, Chlebek J, Šafratová M, Hošt'álková A, Opletal L.: In Vitro Inhibitory Effects of 8-O-Demethylmaritidine and Undulatine on Acetylcholinesterase and Their Predicted Penetration across the Blood-Brain Barrier. J Nat Prod, Volume 78 (6), 2015";ChEMBL
Hydrocortisone;MM00044;CC12CCC(=O)C=C1CCC1C2C(O)CC2(C)C1CCC2(O)C(=O)CO;JYGXADMDTFJGBT-UHFFFAOYSA-N;362.47;1.78;5754;DB00741;HCY;CHEMBL389621;BBB;EPAM;25;0;"<a href=https://www.ebi.ac.uk/chembl/assay_report_card/CHEMBL1052382/  target=_blank>CHEMBL1052382</a>";;;;;;;;;-5.72;;;;;;;;;;;;"Camps P, Formosa X, Galdeano C, Muñoz-Torrero D, Ramírez L, Gómez E, Isambert N, Lavilla R, Badia A, Clos MV, Bartolini M, Mancini F, Andrisano V, Arce MP, Rodríguez-Franco MI, Huertas O, Dafni T, Luque FJ.: Pyrano[3,2-c]quinoline-6-chlorotacrine hybrids as a novel family of acetylcholinesterase- and beta-amyloid-directed anti-Alzheimer compounds. J Med Chem, Volume 52 (17), 2009";ChEMBL
Hydrocortisone;MM00044;CC12CCC(=O)C=C1CCC1C2C(O)CC2(C)C1CCC2(O)C(=O)CO;JYGXADMDTFJGBT-UHFFFAOYSA-N;362.47;1.78;5754;DB00741;HCY;CHEMBL389621;BBB;EPAM;25;0;"<a href=https://www.ebi.ac.uk/chembl/assay_report_card/CHEMBL1052383/  target=_blank>CHEMBL1052383</a>";;;;;;;;;-5.31;;;;;;;;;;;;"Camps P, Formosa X, Galdeano C, Muñoz-Torrero D, Ramírez L, Gómez E, Isambert N, Lavilla R, Badia A, Clos MV, Bartolini M, Mancini F, Andrisano V, Arce MP, Rodríguez-Franco MI, Huertas O, Dafni T, Luque FJ.: Pyrano[3,2-c]quinoline-6-chlorotacrine hybrids as a novel family of acetylcholinesterase- and beta-amyloid-directed anti-Alzheimer compounds. J Med Chem, Volume 52 (17), 2009";ChEMBL
Hydrocortisone;MM00044;CC12CCC(=O)C=C1CCC1C2C(O)CC2(C)C1CCC2(O)C(=O)CO;JYGXADMDTFJGBT-UHFFFAOYSA-N;362.47;1.78;5754;DB00741;HCY;CHEMBL389621;BBB;EPAM;25;0;"<a href=https://www.ebi.ac.uk/chembl/assay_report_card/CHEMBL1052384/  target=_blank>CHEMBL1052384</a>";;;;;;;;;-5.31;;;;;;;;;;;;"Camps P, Formosa X, Galdeano C, Muñoz-Torrero D, Ramírez L, Gómez E, Isambert N, Lavilla R, Badia A, Clos MV, Bartolini M, Mancini F, Andrisano V, Arce MP, Rodríguez-Franco MI, Huertas O, Dafni T, Luque FJ.: Pyrano[3,2-c]quinoline-6-chlorotacrine hybrids as a novel family of acetylcholinesterase- and beta-amyloid-directed anti-Alzheimer compounds. J Med Chem, Volume 52 (17), 2009";ChEMBL
Hydrocortisone;MM00044;CC12CCC(=O)C=C1CCC1C2C(O)CC2(C)C1CCC2(O)C(=O)CO;JYGXADMDTFJGBT-UHFFFAOYSA-N;362.47;1.78;5754;DB00741;HCY;CHEMBL389621;BBB;EPAM;25;0;"<a href=https://www.ebi.ac.uk/chembl/assay_report_card/CHEMBL3821787/  target=_blank>CHEMBL3821787</a>";;;;;;;;;-5.72;;;;;;;;;;;;10.1039/C6MD00053C;ChEMBL
Hydrocortisone;MM00044;CC12CCC(=O)C=C1CCC1C2C(O)CC2(C)C1CCC2(O)C(=O)CO;JYGXADMDTFJGBT-UHFFFAOYSA-N;362.47;1.78;5754;DB00741;HCY;CHEMBL389621;BBB;EPAM;25;0;"<a href=https://www.ebi.ac.uk/chembl/assay_report_card/CHEMBL3821788/  target=_blank>CHEMBL3821788</a>";;;;;;;;;-5.72;;;;;;;;;;;;10.1039/C6MD00053C;ChEMBL
MM471141;MM471141;COc1ccc(/C=C/C(=O)Nc2ccc(CN(C)Cc3ccccc3)cc2)cc1OC;SBRJGGDKKJIEFJ-FOWTUZBSSA-N;416.52;4.99;;;;;BBB;EPAM;25;0;"<a href=https://www.ebi.ac.uk/chembl/assay_report_card/CHEMBL4193463/  target=_blank>CHEMBL4193463</a>";;;;;;;;;-5.12;;;;;;;;;;;;"Wang J, Cai P, Yang XL, Li F, Wu JJ, Kong LY, Wang XB.: Novel cinnamamide-dibenzylamine hybrids: Potent neurogenic agents with antioxidant, cholinergic, and neuroprotective properties as innovative drugs for Alzheimer's disease. Eur J Med Chem, Volume 139, 2017";ChEMBL
MM471282;MM471282;CC(=O)c1ccc(OCc2cccc(F)c2)cc1O;UFWGBYKUPYCCBE-UHFFFAOYSA-N;260.26;3.31;91863223;;;CHEMBL3920226;BBB;EPAM;25;0;"<a href=https://www.ebi.ac.uk/chembl/assay_report_card/CHEMBL3863409/  target=_blank>CHEMBL3863409</a>";;;;;;;;;-4.8;;;;;;;;;;;;"Wang Z, Wu J, Yang X, Cai P, Liu Q, Wang KDG, Kong L, Wang X.: Neuroprotective effects of benzyloxy substituted small molecule monoamine oxidase B inhibitors in Parkinson's disease. Bioorg Med Chem, Volume 24 (22), 2016";ChEMBL
MM471284;MM471284;CC(=O)c1ccc(OCc2ccc(Cl)cc2)cc1O;AHBYYIKLPLXQNZ-UHFFFAOYSA-N;276.72;3.83;71419878;;;CHEMBL3939253;BBB;EPAM;25;0;"<a href=https://www.ebi.ac.uk/chembl/assay_report_card/CHEMBL3863409/  target=_blank>CHEMBL3863409</a>";;;;;;;;;-4.9;;;;;;;;;;;;"Wang Z, Wu J, Yang X, Cai P, Liu Q, Wang KDG, Kong L, Wang X.: Neuroprotective effects of benzyloxy substituted small molecule monoamine oxidase B inhibitors in Parkinson's disease. Bioorg Med Chem, Volume 24 (22), 2016";ChEMBL
MM471283;MM471283;CC(=O)c1ccc(OCc2ccc(F)cc2)cc1O;RFHGZHJAFVVQFU-UHFFFAOYSA-N;260.26;3.31;69889948;;;CHEMBL3948027;BBB;EPAM;25;0;"<a href=https://www.ebi.ac.uk/chembl/assay_report_card/CHEMBL3863409/  target=_blank>CHEMBL3863409</a>";;;;;;;;;-4.87;;;;;;;;;;;;"Wang Z, Wu J, Yang X, Cai P, Liu Q, Wang KDG, Kong L, Wang X.: Neuroprotective effects of benzyloxy substituted small molecule monoamine oxidase B inhibitors in Parkinson's disease. Bioorg Med Chem, Volume 24 (22), 2016";ChEMBL
Ofloxacin;MM00769;CC1COc2c(N3CCN(C)CC3)c(F)cc3c(=O)c(C(=O)O)cn1c23;GSDSWSVVBLHKDQ-UHFFFAOYSA-N;361.37;1.54;4583;DB01165;;CHEMBL4;BBB;EPAM;25;0;"<a href=https://www.ebi.ac.uk/chembl/assay_report_card/CHEMBL3366747/  target=_blank>CHEMBL3366747</a>";;;;;;;;;-6.01;;;;;;;;;;;;"Pérez-Areales FJ, Di Pietro O, Espargaró A, Vallverdú-Queralt A, Galdeano C, Ragusa IM, Viayna E, Guillou C, Clos MV, Pérez B, Sabaté R, Lamuela-Raventós RM, Luque FJ, Muñoz-Torrero D.: Shogaol-huprine hybrids: dual antioxidant and anticholinesterase agents with β-amyloid and tau anti-aggregating properties. Bioorg Med Chem, Volume 22 (19), 2014";ChEMBL
Ofloxacin;MM00769;CC1COc2c(N3CCN(C)CC3)c(F)cc3c(=O)c(C(=O)O)cn1c23;GSDSWSVVBLHKDQ-UHFFFAOYSA-N;361.37;1.54;4583;DB01165;;CHEMBL4;BBB;EPAM;25;0;"<a href=https://www.ebi.ac.uk/chembl/assay_report_card/CHEMBL3863409/  target=_blank>CHEMBL3863409</a>";;;;;;;;;-5.95;;;;;;;;;;;;"Wang Z, Wu J, Yang X, Cai P, Liu Q, Wang KDG, Kong L, Wang X.: Neuroprotective effects of benzyloxy substituted small molecule monoamine oxidase B inhibitors in Parkinson's disease. Bioorg Med Chem, Volume 24 (22), 2016";ChEMBL
Ofloxacin;MM00769;CC1COc2c(N3CCN(C)CC3)c(F)cc3c(=O)c(C(=O)O)cn1c23;GSDSWSVVBLHKDQ-UHFFFAOYSA-N;361.37;1.54;4583;DB01165;;CHEMBL4;BBB;EPAM;25;0;"<a href=https://www.ebi.ac.uk/chembl/assay_report_card/CHEMBL3863410/  target=_blank>CHEMBL3863410</a>";;;;;;;;;-6.1;;;;;;;;;;;;"Wang Z, Wu J, Yang X, Cai P, Liu Q, Wang KDG, Kong L, Wang X.: Neuroprotective effects of benzyloxy substituted small molecule monoamine oxidase B inhibitors in Parkinson's disease. Bioorg Med Chem, Volume 24 (22), 2016";ChEMBL
Ofloxacin;MM00769;CC1COc2c(N3CCN(C)CC3)c(F)cc3c(=O)c(C(=O)O)cn1c23;GSDSWSVVBLHKDQ-UHFFFAOYSA-N;361.37;1.54;4583;DB01165;;CHEMBL4;BBB;EPAM;25;0;"<a href=https://www.ebi.ac.uk/chembl/assay_report_card/CHEMBL4055315/  target=_blank>CHEMBL4055315</a>";;;;;;;;;-5.9;;;;;;;;;;;;"Li F, Wu JJ, Wang J, Yang XL, Cai P, Liu QH, Kong LY, Wang XB.: Synthesis and pharmacological evaluation of novel chromone derivatives as balanced multifunctional agents against Alzheimer's disease. Bioorg Med Chem, Volume 25 (14), 2017";ChEMBL
Ofloxacin;MM00769;CC1COc2c(N3CCN(C)CC3)c(F)cc3c(=O)c(C(=O)O)cn1c23;GSDSWSVVBLHKDQ-UHFFFAOYSA-N;361.37;1.54;4583;DB01165;;CHEMBL4;BBB;EPAM;25;0;"<a href=https://www.ebi.ac.uk/chembl/assay_report_card/CHEMBL1929957/  target=_blank>CHEMBL1929957</a>";;;;;;;;;-5.89;;;;;;;;;;;;"Redondo M, Zarruk JG, Ceballos P, Pérez DI, Pérez C, Perez-Castillo A, Moro MA, Brea J, Val C, Cadavid MI, Loza MI, Campillo NE, Martínez A, Gil C.: Neuroprotective efficacy of quinazoline type phosphodiesterase 7 inhibitors in cellular cultures and experimental stroke model. Eur J Med Chem, Volume 47 (1), 2012";ChEMBL
Ofloxacin;MM00769;CC1COc2c(N3CCN(C)CC3)c(F)cc3c(=O)c(C(=O)O)cn1c23;GSDSWSVVBLHKDQ-UHFFFAOYSA-N;361.37;1.54;4583;DB01165;;CHEMBL4;BBB;EPAM;25;0;"<a href=https://www.ebi.ac.uk/chembl/assay_report_card/CHEMBL3123849/  target=_blank>CHEMBL3123849</a>";;;;;;;;;-6.1;;;;;;;;;;;;"Di Pietro O, Viayna E, Vicente-García E, Bartolini M, Ramón R, Juárez-Jiménez J, Clos MV, Pérez B, Andrisano V, Luque FJ, Lavilla R, Muñoz-Torrero D.: 1,2,3,4-Tetrahydrobenzo[h][1,6]naphthyridines as a new family of potent peripheral-to-midgorge-site inhibitors of acetylcholinesterase: synthesis, pharmacological evaluation and mechanistic studies. Eur J Med Chem, Volume 73, 2014";ChEMBL
Ofloxacin;MM00769;CC1COc2c(N3CCN(C)CC3)c(F)cc3c(=O)c(C(=O)O)cn1c23;GSDSWSVVBLHKDQ-UHFFFAOYSA-N;361.37;1.54;4583;DB01165;;CHEMBL4;BBB;EPAM;25;0;"<a href=https://www.ebi.ac.uk/chembl/assay_report_card/CHEMBL3372306/  target=_blank>CHEMBL3372306</a>";;;;;;;;;-6.43;;;;;;;;;;;;"Huang L, Miao H, Sun Y, Meng F, Li X.: Discovery of indanone derivatives as multi-target-directed ligands against Alzheimer's disease. Eur J Med Chem, Volume 87, 2014";ChEMBL
Ofloxacin;MM00769;CC1COc2c(N3CCN(C)CC3)c(F)cc3c(=O)c(C(=O)O)cn1c23;GSDSWSVVBLHKDQ-UHFFFAOYSA-N;361.37;1.54;4583;DB01165;;CHEMBL4;BBB;EPAM;25;0;"<a href=https://www.ebi.ac.uk/chembl/assay_report_card/CHEMBL4034191/  target=_blank>CHEMBL4034191</a>";;;;;;;;;-5.88;;;;;;;;;;;;"Lan JS, Zhang T, Liu Y, Yang J, Xie SS, Liu J, Miao ZY, Ding Y.: Design, synthesis and biological activity of novel donepezil derivatives bearing N-benzyl pyridinium moiety as potent and dual binding site acetylcholinesterase inhibitors. Eur J Med Chem, Volume 133, 2017";ChEMBL
Ofloxacin;MM00769;CC1COc2c(N3CCN(C)CC3)c(F)cc3c(=O)c(C(=O)O)cn1c23;GSDSWSVVBLHKDQ-UHFFFAOYSA-N;361.37;1.54;4583;DB01165;;CHEMBL4;BBB;EPAM;25;0;"<a href=https://www.ebi.ac.uk/chembl/assay_report_card/CHEMBL4034201/  target=_blank>CHEMBL4034201</a>";;;;;;;;;-6.1;;;;;;;;;;;;"Lan JS, Zhang T, Liu Y, Yang J, Xie SS, Liu J, Miao ZY, Ding Y.: Design, synthesis and biological activity of novel donepezil derivatives bearing N-benzyl pyridinium moiety as potent and dual binding site acetylcholinesterase inhibitors. Eur J Med Chem, Volume 133, 2017";ChEMBL
Ofloxacin;MM00769;CC1COc2c(N3CCN(C)CC3)c(F)cc3c(=O)c(C(=O)O)cn1c23;GSDSWSVVBLHKDQ-UHFFFAOYSA-N;361.37;1.54;4583;DB01165;;CHEMBL4;BBB;EPAM;25;0;"<a href=https://www.ebi.ac.uk/chembl/assay_report_card/CHEMBL4193311/  target=_blank>CHEMBL4193311</a>";;;;;;;;;-6.44;;;;;;;;;;;;"Lan JS, Ding Y, Liu Y, Kang P, Hou JW, Zhang XY, Xie SS, Zhang T.: Design, synthesis and biological evaluation of novel coumarin-N-benzyl pyridinium hybrids as multi-target agents for the treatment of Alzheimer's disease. Eur J Med Chem, Volume 139, 2017";ChEMBL
Ofloxacin;MM00769;CC1COc2c(N3CCN(C)CC3)c(F)cc3c(=O)c(C(=O)O)cn1c23;GSDSWSVVBLHKDQ-UHFFFAOYSA-N;361.37;1.54;4583;DB01165;;CHEMBL4;BBB;EPAM;25;0;"<a href=https://www.ebi.ac.uk/chembl/assay_report_card/CHEMBL4193312/  target=_blank>CHEMBL4193312</a>";;;;;;;;;-6.1;;;;;;;;;;;;"Lan JS, Ding Y, Liu Y, Kang P, Hou JW, Zhang XY, Xie SS, Zhang T.: Design, synthesis and biological evaluation of novel coumarin-N-benzyl pyridinium hybrids as multi-target agents for the treatment of Alzheimer's disease. Eur J Med Chem, Volume 139, 2017";ChEMBL
Ofloxacin;MM00769;CC1COc2c(N3CCN(C)CC3)c(F)cc3c(=O)c(C(=O)O)cn1c23;GSDSWSVVBLHKDQ-UHFFFAOYSA-N;361.37;1.54;4583;DB01165;;CHEMBL4;BBB;EPAM;25;0;"<a href=https://www.ebi.ac.uk/chembl/assay_report_card/CHEMBL4142614/  target=_blank>CHEMBL4142614</a>";;;;;;;;;-6.4;;;;;;;;;;;;"Xu YX, Wang H, Li XK, Dong SN, Liu WW, Gong Q, Wang TD, Tang Y, Zhu J, Li J, Zhang HY, Mao F.: Discovery of novel propargylamine-modified 4-aminoalkyl imidazole substituted pyrimidinylthiourea derivatives as multifunctional agents for the treatment of Alzheimer's disease. Eur J Med Chem, Volume 143, 2018";ChEMBL
Ofloxacin;MM00769;CC1COc2c(N3CCN(C)CC3)c(F)cc3c(=O)c(C(=O)O)cn1c23;GSDSWSVVBLHKDQ-UHFFFAOYSA-N;361.37;1.54;4583;DB01165;;CHEMBL4;BBB;EPAM;25;0;"<a href=https://www.ebi.ac.uk/chembl/assay_report_card/CHEMBL4268507/  target=_blank>CHEMBL4268507</a>";;;;;;;;;-6.22;;;;;;;;;;;;"Reis J, Cagide F, Valencia ME, Teixeira J, Bagetta D, Pérez C, Uriarte E, Oliveira PJ, Ortuso F, Alcaro S, Rodríguez-Franco MI, Borges F.: Multi-target-directed ligands for Alzheimer's disease: Discovery of chromone-based monoamine oxidase/cholinesterase inhibitors. Eur J Med Chem, Volume 158, 2018";ChEMBL
Ofloxacin;MM00769;CC1COc2c(N3CCN(C)CC3)c(F)cc3c(=O)c(C(=O)O)cn1c23;GSDSWSVVBLHKDQ-UHFFFAOYSA-N;361.37;1.54;4583;DB01165;;CHEMBL4;BBB;EPAM;25;0;"<a href=https://www.ebi.ac.uk/chembl/assay_report_card/CHEMBL4268508/  target=_blank>CHEMBL4268508</a>";;;;;;;;;-6.1;;;;;;;;;;;;"Reis J, Cagide F, Valencia ME, Teixeira J, Bagetta D, Pérez C, Uriarte E, Oliveira PJ, Ortuso F, Alcaro S, Rodríguez-Franco MI, Borges F.: Multi-target-directed ligands for Alzheimer's disease: Discovery of chromone-based monoamine oxidase/cholinesterase inhibitors. Eur J Med Chem, Volume 158, 2018";ChEMBL
Ofloxacin;MM00769;CC1COc2c(N3CCN(C)CC3)c(F)cc3c(=O)c(C(=O)O)cn1c23;GSDSWSVVBLHKDQ-UHFFFAOYSA-N;361.37;1.54;4583;DB01165;;CHEMBL4;BBB;EPAM;25;0;"<a href=https://www.ebi.ac.uk/chembl/assay_report_card/CHEMBL4307308/  target=_blank>CHEMBL4307308</a>";;;;;;;;;-6;;;;;;;;;;;;"Pérez-Areales FJ, Turcu AL, Barniol-Xicota M, Pont C, Pivetta D, Espargaró A, Bartolini M, De Simone A, Andrisano V, Pérez B, Sabate R, Sureda FX, Vázquez S, Muñoz-Torrero D.: A novel class of multitarget anti-Alzheimer benzohomoadamantane‒chlorotacrine hybrids modulating cholinesterases and glutamate NMDA receptors. Eur J Med Chem, Volume 180, 2019";ChEMBL
Ofloxacin;MM00769;CC1COc2c(N3CCN(C)CC3)c(F)cc3c(=O)c(C(=O)O)cn1c23;GSDSWSVVBLHKDQ-UHFFFAOYSA-N;361.37;1.54;4583;DB01165;;CHEMBL4;BBB;EPAM;25;0;"<a href=https://www.ebi.ac.uk/chembl/assay_report_card/CHEMBL4307309/  target=_blank>CHEMBL4307309</a>";;;;;;;;;-6.1;;;;;;;;;;;;"Pérez-Areales FJ, Turcu AL, Barniol-Xicota M, Pont C, Pivetta D, Espargaró A, Bartolini M, De Simone A, Andrisano V, Pérez B, Sabate R, Sureda FX, Vázquez S, Muñoz-Torrero D.: A novel class of multitarget anti-Alzheimer benzohomoadamantane‒chlorotacrine hybrids modulating cholinesterases and glutamate NMDA receptors. Eur J Med Chem, Volume 180, 2019";ChEMBL
Ofloxacin;MM00769;CC1COc2c(N3CCN(C)CC3)c(F)cc3c(=O)c(C(=O)O)cn1c23;GSDSWSVVBLHKDQ-UHFFFAOYSA-N;361.37;1.54;4583;DB01165;;CHEMBL4;BBB;EPAM;25;0;"<a href=https://www.ebi.ac.uk/chembl/assay_report_card/CHEMBL1052382/  target=_blank>CHEMBL1052382</a>";;;;;;;;;-6.1;;;;;;;;;;;;"Camps P, Formosa X, Galdeano C, Muñoz-Torrero D, Ramírez L, Gómez E, Isambert N, Lavilla R, Badia A, Clos MV, Bartolini M, Mancini F, Andrisano V, Arce MP, Rodríguez-Franco MI, Huertas O, Dafni T, Luque FJ.: Pyrano[3,2-c]quinoline-6-chlorotacrine hybrids as a novel family of acetylcholinesterase- and beta-amyloid-directed anti-Alzheimer compounds. J Med Chem, Volume 52 (17), 2009";ChEMBL
MM471292;MM471292;CNCc1cccc(-c2cc(F)cc(CCc3cc(C)cc(N)n3)c2)c1;GVTRYBJMAVPTHT-UHFFFAOYSA-N;349.45;4.28;134686798;;;CHEMBL4062639;BBB;EPAM;25;0;"<a href=https://www.ebi.ac.uk/chembl/assay_report_card/CHEMBL4032168/  target=_blank>CHEMBL4032168</a>";;;;;;;;;-4.76;;;;;;;;;;;;"Do HT, Wang HY, Li H, Chreifi G, Poulos TL, Silverman RB.: Improvement of Cell Permeability of Human Neuronal Nitric Oxide Synthase Inhibitors Using Potent and Selective 2-Aminopyridine-Based Scaffolds with a Fluorobenzene Linker. J Med Chem, Volume 60 (22), 2017";ChEMBL
MM471291;MM471291;CNCc1cccc(-c2cncc(CCc3cc(C)cc(N)n3)c2)c1;MGNVQSKYSZRQCR-UHFFFAOYSA-N;332.45;3.54;134686796;;;CHEMBL4071288;BBB;EPAM;25;0;"<a href=https://www.ebi.ac.uk/chembl/assay_report_card/CHEMBL4032168/  target=_blank>CHEMBL4032168</a>";;;;;;;;;-5.25;;;;;;;;;;;;"Do HT, Wang HY, Li H, Chreifi G, Poulos TL, Silverman RB.: Improvement of Cell Permeability of Human Neuronal Nitric Oxide Synthase Inhibitors Using Potent and Selective 2-Aminopyridine-Based Scaffolds with a Fluorobenzene Linker. J Med Chem, Volume 60 (22), 2017";ChEMBL
MM471115;MM471115;O=C1CCc2ccc(OCCCCCCN3CCC(Cc4ccccc4)CC3)cc2N1;YUSRYUVUQZAREX-UHFFFAOYSA-N;420.6;5.47;20438759;;;CHEMBL4073457;BBB;EPAM;25;0;"<a href=https://www.ebi.ac.uk/chembl/assay_report_card/CHEMBL4035435/  target=_blank>CHEMBL4035435</a>";;;;;;;;;-4.59;;;;;;;;;;;;"Sang Z, Pan W, Wang K, Ma Q, Yu L, Liu W.: Design, synthesis and biological evaluation of 3,4-dihydro-2(1H)-quinoline-O-alkylamine derivatives as new multipotent cholinesterase/monoamine oxidase inhibitors for the treatment of Alzheimer's disease. Bioorg Med Chem, Volume 25 (12), 2017";ChEMBL
MM471116;MM471116;C#CCN(CCCN1C(=O)c2ccccc2C1=O)Cc1ccccc1;SCUZHSPGCIXUKX-UHFFFAOYSA-N;332.4;2.81;137650881;;;CHEMBL4075667;BBB;EPAM;25;0;"<a href=https://www.ebi.ac.uk/chembl/assay_report_card/CHEMBL4048094/  target=_blank>CHEMBL4048094</a>";;;;;;;;;-4.59;;;;;;;;;;;;"Sang Z, Wang K, Wang H, Yu L, Wang H, Ma Q, Ye M, Han X, Liu W.: Design, synthesis and biological evaluation of phthalimide-alkylamine derivatives as balanced multifunctional cholinesterase and monoamine oxidase-B inhibitors for the treatment of Alzheimer's disease. Bioorg Med Chem Lett, Volume 27 (22), 2017";ChEMBL
MM471119;MM471119;Cc1ccc(O)c(N=Cc2coc3ccc(C)cc3c2=O)c1;CLUOPDHGXYKWPQ-DJKKODMXSA-N;293.32;3.87;132503347;;;CHEMBL4082612;BBB;EPAM;25;0;"<a href=https://www.ebi.ac.uk/chembl/assay_report_card/CHEMBL4055315/  target=_blank>CHEMBL4055315</a>";;;;;;;;;-5.31;;;;;;;;;;;;"Li F, Wu JJ, Wang J, Yang XL, Cai P, Liu QH, Kong LY, Wang XB.: Synthesis and pharmacological evaluation of novel chromone derivatives as balanced multifunctional agents against Alzheimer's disease. Bioorg Med Chem, Volume 25 (14), 2017";ChEMBL
MM471114;MM471114;COc1cc(/C=C/C(=O)N2CCC(Cc3ccccc3)CC2)ccc1OCCCCN1CCc2ccccc2C1;ZWIYUBCAUDUSLA-JQIJEIRASA-N;538.73;6.41;;;;;BBB;EPAM;25;0;"<a href=https://www.ebi.ac.uk/chembl/assay_report_card/CHEMBL4011777/  target=_blank>CHEMBL4011777</a>";;;;;;;;;-4.74;;;;;;;;;;;;"Sang Z, Pan W, Wang K, Ma Q, Yu L, Yang Y, Bai P, Leng C, Xu Q, Li X, Tan Z, Liu W.: Design, synthesis and evaluation of novel ferulic acid-O-alkylamine derivatives as potential multifunctional agents for the treatment of Alzheimer's disease. Eur J Med Chem, Volume 130, 2017";ChEMBL
MM471290;MM471290;Cc1cc(N)nc(CCc2cc(F)cc(CCCN(C)C)c2)c1;QAFLXFWRGFNYKW-UHFFFAOYSA-N;315.44;3.39;130449158;;;CHEMBL4094689;BBB;EPAM;25;0;"<a href=https://www.ebi.ac.uk/chembl/assay_report_card/CHEMBL4032168/  target=_blank>CHEMBL4032168</a>";;;;;;;;;-4.83;;;;;;;;;;;;"Do HT, Wang HY, Li H, Chreifi G, Poulos TL, Silverman RB.: Improvement of Cell Permeability of Human Neuronal Nitric Oxide Synthase Inhibitors Using Potent and Selective 2-Aminopyridine-Based Scaffolds with a Fluorobenzene Linker. J Med Chem, Volume 60 (22), 2017";ChEMBL
MM471118;MM471118;Cc1ccc2occ(C=Nc3ccc(Cl)cc3O)c(=O)c2c1;WXWJNDIAGGUZPP-UFWORHAWSA-N;313.74;4.21;137660472;;;CHEMBL4099570;BBB;EPAM;25;0;"<a href=https://www.ebi.ac.uk/chembl/assay_report_card/CHEMBL4055315/  target=_blank>CHEMBL4055315</a>";;;;;;;;;-5.25;;;;;;;;;;;;"Li F, Wu JJ, Wang J, Yang XL, Cai P, Liu QH, Kong LY, Wang XB.: Synthesis and pharmacological evaluation of novel chromone derivatives as balanced multifunctional agents against Alzheimer's disease. Bioorg Med Chem, Volume 25 (14), 2017";ChEMBL
MM471117;MM471117;O=c1c(C=Nc2cccc(Cl)c2O)coc2ccc(Br)cc12;FFCCKSJSLGYMEF-FBCYGCLPSA-N;378.61;4.67;137661292;;;CHEMBL4101899;BBB;EPAM;25;0;"<a href=https://www.ebi.ac.uk/chembl/assay_report_card/CHEMBL4055315/  target=_blank>CHEMBL4055315</a>";;;;;;;;;-5.32;;;;;;;;;;;;"Li F, Wu JJ, Wang J, Yang XL, Cai P, Liu QH, Kong LY, Wang XB.: Synthesis and pharmacological evaluation of novel chromone derivatives as balanced multifunctional agents against Alzheimer's disease. Bioorg Med Chem, Volume 25 (14), 2017";ChEMBL
MM471289;MM471289;CNCCCc1cccc(CCc2cc(C)cc(N)n2)c1;CUTMJYPBBFYFJH-UHFFFAOYSA-N;283.42;2.91;130449148;;;CHEMBL4103382;BBB;EPAM;25;0;"<a href=https://www.ebi.ac.uk/chembl/assay_report_card/CHEMBL4032168/  target=_blank>CHEMBL4032168</a>";;;;;;;;;-4.98;;;;;;;;;;;;"Do HT, Wang HY, Li H, Chreifi G, Poulos TL, Silverman RB.: Improvement of Cell Permeability of Human Neuronal Nitric Oxide Synthase Inhibitors Using Potent and Selective 2-Aminopyridine-Based Scaffolds with a Fluorobenzene Linker. J Med Chem, Volume 60 (22), 2017";ChEMBL
MM471120;MM471120;COc1ccc(CCNCc2cc(-c3ccccc3F)n3c2cnc2cc(Cl)ccc23)cc1OC;COYOYWJCNPTAAA-UHFFFAOYSA-N;489.98;6.3;145955647;;;CHEMBL4128952;BBB;EPAM;25;0;"<a href=https://www.ebi.ac.uk/chembl/assay_report_card/CHEMBL4122775/  target=_blank>CHEMBL4122775</a>";;;;;;;;;-5.03;;;;;;;;;;;;"Wang T, Tang Y, Yang Y, An Q, Sang Z, Yang T, Liu P, Zhang T, Deng Y, Luo Y.: Discovery of novel anti-tuberculosis agents with pyrrolo[1,2-a]quinoxaline-based scaffold. Bioorg Med Chem Lett, Volume 28 (11), 2018";ChEMBL
MM471130;MM471130;O=C(CC12CC3CC(CC(C3)C1)C2)Nc1cccc2nc(-c3ccc(CO)cc3)ccc12;PMZGGKOETSVBSK-UHFFFAOYSA-N;426.56;5.94;;;;;BBB;EPAM;25;0;"<a href=https://www.ebi.ac.uk/chembl/assay_report_card/CHEMBL4153238/  target=_blank>CHEMBL4153238</a>";;;;;;;;;-4.75;;;;;;;;;;;;"Kwak SH, Shin S, Lee JH, Shim JK, Kim M, Lee SD, Lee A, Bae J, Park JH, Abdelrahman A, Müller CE, Cho SK, Kang SG, Bae MA, Yang JY, Ko H, Goddard WA, Kim YC.: Synthesis and structure-activity relationships of quinolinone and quinoline-based P2X7 receptor antagonists and their anti-sphere formation activities in glioblastoma cells. Eur J Med Chem, Volume 151, 2018";ChEMBL
MM471122;MM471122;C#CCN(C)Cc1cn(-c2cc(NC(=S)NCC)ncn2)cn1;GHGSTIIVVMKSAC-UHFFFAOYSA-N;329.43;1.03;;;;;BBB;EPAM;25;0;"<a href=https://www.ebi.ac.uk/chembl/assay_report_card/CHEMBL4142614/  target=_blank>CHEMBL4142614</a>";;;;;;;;;-5.5;;;;;;;;;;;;"Xu YX, Wang H, Li XK, Dong SN, Liu WW, Gong Q, Wang TD, Tang Y, Zhu J, Li J, Zhang HY, Mao F.: Discovery of novel propargylamine-modified 4-aminoalkyl imidazole substituted pyrimidinylthiourea derivatives as multifunctional agents for the treatment of Alzheimer's disease. Eur J Med Chem, Volume 143, 2018";ChEMBL
MM471128;MM471128;Nc1ccc(-c2ccc3c(NC(=O)CC45CC6CC(CC(C6)C4)C5)cccc3n2)cc1;DATNANISPPEHNZ-UHFFFAOYSA-N;411.55;6.03;;;;;BBB;EPAM;25;0;"<a href=https://www.ebi.ac.uk/chembl/assay_report_card/CHEMBL4153238/  target=_blank>CHEMBL4153238</a>";;;;;;;;;-4.6;;;;;;;;;;;;"Kwak SH, Shin S, Lee JH, Shim JK, Kim M, Lee SD, Lee A, Bae J, Park JH, Abdelrahman A, Müller CE, Cho SK, Kang SG, Bae MA, Yang JY, Ko H, Goddard WA, Kim YC.: Synthesis and structure-activity relationships of quinolinone and quinoline-based P2X7 receptor antagonists and their anti-sphere formation activities in glioblastoma cells. Eur J Med Chem, Volume 151, 2018";ChEMBL
MM471123;MM471123;C#CCNCCc1cn(-c2cc(NC(=S)NCC)ncn2)cn1;DMHWRANOWGYVGE-UHFFFAOYSA-N;329.43;0.73;;;;;BBB;EPAM;25;0;"<a href=https://www.ebi.ac.uk/chembl/assay_report_card/CHEMBL4142614/  target=_blank>CHEMBL4142614</a>";;;;;;;;;-5.49;;;;;;;;;;;;"Xu YX, Wang H, Li XK, Dong SN, Liu WW, Gong Q, Wang TD, Tang Y, Zhu J, Li J, Zhang HY, Mao F.: Discovery of novel propargylamine-modified 4-aminoalkyl imidazole substituted pyrimidinylthiourea derivatives as multifunctional agents for the treatment of Alzheimer's disease. Eur J Med Chem, Volume 143, 2018";ChEMBL
MM471126;MM471126;C#CCN(C)CCCc1cn(-c2cc(NC(=S)NCC)ncn2)cn1;WLKYFXQQUPOJKQ-UHFFFAOYSA-N;357.49;1.47;;;;;BBB;EPAM;25;0;"<a href=https://www.ebi.ac.uk/chembl/assay_report_card/CHEMBL4142614/  target=_blank>CHEMBL4142614</a>";;;;;;;;;-5.4;;;;;;;;;;;;"Xu YX, Wang H, Li XK, Dong SN, Liu WW, Gong Q, Wang TD, Tang Y, Zhu J, Li J, Zhang HY, Mao F.: Discovery of novel propargylamine-modified 4-aminoalkyl imidazole substituted pyrimidinylthiourea derivatives as multifunctional agents for the treatment of Alzheimer's disease. Eur J Med Chem, Volume 143, 2018";ChEMBL
MM471129;MM471129;O=C(CC12CC3CC(CC(C3)C1)C2)Nc1cccc2nc(-c3ccc(C(=O)O)cc3)ccc12;CBTIQAPTVVZFDU-UHFFFAOYSA-N;440.54;6.15;;;;;BBB;EPAM;25;0;"<a href=https://www.ebi.ac.uk/chembl/assay_report_card/CHEMBL4153238/  target=_blank>CHEMBL4153238</a>";;;;;;;;;-5.07;;;;;;;;;;;;"Kwak SH, Shin S, Lee JH, Shim JK, Kim M, Lee SD, Lee A, Bae J, Park JH, Abdelrahman A, Müller CE, Cho SK, Kang SG, Bae MA, Yang JY, Ko H, Goddard WA, Kim YC.: Synthesis and structure-activity relationships of quinolinone and quinoline-based P2X7 receptor antagonists and their anti-sphere formation activities in glioblastoma cells. Eur J Med Chem, Volume 151, 2018";ChEMBL
MM471121;MM471121;C#CCNCc1cn(-c2cc(NC(=S)NCC)ncn2)cn1;LVRTVCFAWJLSPS-UHFFFAOYSA-N;315.41;0.69;;;;;BBB;EPAM;25;0;"<a href=https://www.ebi.ac.uk/chembl/assay_report_card/CHEMBL4142614/  target=_blank>CHEMBL4142614</a>";;;;;;;;;-5.56;;;;;;;;;;;;"Xu YX, Wang H, Li XK, Dong SN, Liu WW, Gong Q, Wang TD, Tang Y, Zhu J, Li J, Zhang HY, Mao F.: Discovery of novel propargylamine-modified 4-aminoalkyl imidazole substituted pyrimidinylthiourea derivatives as multifunctional agents for the treatment of Alzheimer's disease. Eur J Med Chem, Volume 143, 2018";ChEMBL
MM471124;MM471124;C#CCN(C)CCc1cn(-c2cc(NC(=S)NCC)ncn2)cn1;VFBYGRIXBHEZMJ-UHFFFAOYSA-N;343.46;1.08;;;;;BBB;EPAM;25;0;"<a href=https://www.ebi.ac.uk/chembl/assay_report_card/CHEMBL4142614/  target=_blank>CHEMBL4142614</a>";;;;;;;;;-5.48;;;;;;;;;;;;"Xu YX, Wang H, Li XK, Dong SN, Liu WW, Gong Q, Wang TD, Tang Y, Zhu J, Li J, Zhang HY, Mao F.: Discovery of novel propargylamine-modified 4-aminoalkyl imidazole substituted pyrimidinylthiourea derivatives as multifunctional agents for the treatment of Alzheimer's disease. Eur J Med Chem, Volume 143, 2018";ChEMBL
MM471127;MM471127;O=C(CC12CC3CC(CC(C3)C1)C2)Nc1cccc2nc(-c3ccc(O)cc3)ccc12;MDVQTRIRPZQVDF-UHFFFAOYSA-N;412.53;6.15;;;;;BBB;EPAM;25;0;"<a href=https://www.ebi.ac.uk/chembl/assay_report_card/CHEMBL4153238/  target=_blank>CHEMBL4153238</a>";;;;;;;;;-4.78;;;;;;;;;;;;"Kwak SH, Shin S, Lee JH, Shim JK, Kim M, Lee SD, Lee A, Bae J, Park JH, Abdelrahman A, Müller CE, Cho SK, Kang SG, Bae MA, Yang JY, Ko H, Goddard WA, Kim YC.: Synthesis and structure-activity relationships of quinolinone and quinoline-based P2X7 receptor antagonists and their anti-sphere formation activities in glioblastoma cells. Eur J Med Chem, Volume 151, 2018";ChEMBL
MM471125;MM471125;C#CCNCCCc1cn(-c2cc(NC(=S)NCC)ncn2)cn1;MORHPMMPNZFVSY-UHFFFAOYSA-N;343.46;1.12;;;;;BBB;EPAM;25;0;"<a href=https://www.ebi.ac.uk/chembl/assay_report_card/CHEMBL4142614/  target=_blank>CHEMBL4142614</a>";;;;;;;;;-5.49;;;;;;;;;;;;"Xu YX, Wang H, Li XK, Dong SN, Liu WW, Gong Q, Wang TD, Tang Y, Zhu J, Li J, Zhang HY, Mao F.: Discovery of novel propargylamine-modified 4-aminoalkyl imidazole substituted pyrimidinylthiourea derivatives as multifunctional agents for the treatment of Alzheimer's disease. Eur J Med Chem, Volume 143, 2018";ChEMBL
MM471149;MM471149;O=C1CN(S(=O)(=O)c2ccc(F)cc2)C(=O)CN1S(=O)(=O)c1ccc(F)cc1;VBWOPNFOLDOQMD-UHFFFAOYSA-N;430.41;0.71;;;;;BBB;EPAM;25;0;"<a href=https://www.ebi.ac.uk/chembl/assay_report_card/CHEMBL4198351/  target=_blank>CHEMBL4198351</a>";;;;;;;;;-4.99;;;;;;;;;;;;"Kumar D, Gupta SK, Ganeshpurkar A, Gutti G, Krishnamurthy S, Modi G, Singh SK.: Development of Piperazinediones as dual inhibitor for treatment of Alzheimer's disease. Eur J Med Chem, Volume 150, 2018";ChEMBL
MM471144;MM471144;O=C1CN(S(=O)(=O)c2ccc(Cl)cc2)C(=O)CN1S(=O)(=O)c1ccc(Cl)cc1;NKHCRCPMJAYOND-UHFFFAOYSA-N;463.32;1.74;;;;;BBB;EPAM;25;0;"<a href=https://www.ebi.ac.uk/chembl/assay_report_card/CHEMBL4198351/  target=_blank>CHEMBL4198351</a>";;;;;;;;;-5.19;;;;;;;;;;;;"Kumar D, Gupta SK, Ganeshpurkar A, Gutti G, Krishnamurthy S, Modi G, Singh SK.: Development of Piperazinediones as dual inhibitor for treatment of Alzheimer's disease. Eur J Med Chem, Volume 150, 2018";ChEMBL
MM471160;MM471160;O=C1C(Cc2ccccc2)N(S(=O)(=O)c2cccc(O)c2)C(=O)C(Cc2ccccc2)N1S(=O)(=O)c1cccc(O)c1;IFEDYZQSQFDVSG-UHFFFAOYSA-N;606.68;3.07;;;;;BBB;EPAM;25;0;"<a href=https://www.ebi.ac.uk/chembl/assay_report_card/CHEMBL4198351/  target=_blank>CHEMBL4198351</a>";;;;;;;;;-5.2;;;;;;;;;;;;"Kumar D, Gupta SK, Ganeshpurkar A, Gutti G, Krishnamurthy S, Modi G, Singh SK.: Development of Piperazinediones as dual inhibitor for treatment of Alzheimer's disease. Eur J Med Chem, Volume 150, 2018";ChEMBL
MM471134;MM471134;COC(=O)C(C)c1ccc(-c2ccc(O)c(C(=O)C=Cc3ccc(N(C)C)cc3)c2)c(F)c1;YSCFQGKIAYMJCA-NTUHNPAUSA-N;447.51;5.44;145978302;;;CHEMBL4205278;BBB;EPAM;25;0;"<a href=https://www.ebi.ac.uk/chembl/assay_report_card/CHEMBL4188382/  target=_blank>CHEMBL4188382</a>";;;;;;;;;-5.65;;;;;;;;;;;;"Cao Z, Yang J, Xu R, Song Q, Zhang X, Liu H, Qiang X, Li Y, Tan Z, Deng Y.: Design, synthesis and evaluation of 4'-OH-flurbiprofen-chalcone hybrids as potential multifunctional agents for Alzheimer's disease treatment. Bioorg Med Chem, Volume 26 (5), 2018";ChEMBL
MM471131;MM471131;Oc1ccc(C=Nc2ccc(OCc3ccccc3)cc2)c(O)c1O;ROUYSAPMPURTBS-CIAFOILYSA-N;335.36;4.13;145975227;;;CHEMBL4207619;BBB;EPAM;25;0;"<a href=https://www.ebi.ac.uk/chembl/assay_report_card/CHEMBL4179547/  target=_blank>CHEMBL4179547</a>";;;;;;;;;-5.24;;;;;;;;;;;;"Yang HL, Cai P, Liu QH, Yang XL, Fang SQ, Tang YW, Wang C, Wang XB, Kong LY.: Design, synthesis, and evaluation of salicyladimine derivatives as multitarget-directed ligands against Alzheimer's disease. Bioorg Med Chem, Volume 25 (21), 2017";ChEMBL
MM471158;MM471158;O=C1C(Cc2ccccc2)N(S(=O)(=O)c2ccc(Cl)cc2)C(=O)C(Cc2ccccc2)N1S(=O)(=O)c1ccc(Cl)cc1;AUGUMRHDSHYMFZ-UHFFFAOYSA-N;643.57;4.96;;;;;BBB;EPAM;25;0;"<a href=https://www.ebi.ac.uk/chembl/assay_report_card/CHEMBL4198351/  target=_blank>CHEMBL4198351</a>";;;;;;;;;-4.91;;;;;;;;;;;;"Kumar D, Gupta SK, Ganeshpurkar A, Gutti G, Krishnamurthy S, Modi G, Singh SK.: Development of Piperazinediones as dual inhibitor for treatment of Alzheimer's disease. Eur J Med Chem, Volume 150, 2018";ChEMBL
MM471154;MM471154;Cc1ccc(S(=O)(=O)N2C(=O)C(c3ccccc3)N(S(=O)(=O)c3ccc(C)cc3)C(=O)C2c2ccccc2)cc1;MOPJXEDQQIUQNN-UHFFFAOYSA-N;574.68;4.53;;;;;BBB;EPAM;25;0;"<a href=https://www.ebi.ac.uk/chembl/assay_report_card/CHEMBL4198351/  target=_blank>CHEMBL4198351</a>";;;;;;;;;-4.95;;;;;;;;;;;;"Kumar D, Gupta SK, Ganeshpurkar A, Gutti G, Krishnamurthy S, Modi G, Singh SK.: Development of Piperazinediones as dual inhibitor for treatment of Alzheimer's disease. Eur J Med Chem, Volume 150, 2018";ChEMBL
MM471147;MM471147;COc1ccc(S(=O)(=O)N2CC(=O)N(S(=O)(=O)c3ccc(OC)cc3)CC2=O)cc1;LMKHBMPBGCHZPI-UHFFFAOYSA-N;454.48;0.45;;;;;BBB;EPAM;25;0;"<a href=https://www.ebi.ac.uk/chembl/assay_report_card/CHEMBL4198351/  target=_blank>CHEMBL4198351</a>";;;;;;;;;-5.19;;;;;;;;;;;;"Kumar D, Gupta SK, Ganeshpurkar A, Gutti G, Krishnamurthy S, Modi G, Singh SK.: Development of Piperazinediones as dual inhibitor for treatment of Alzheimer's disease. Eur J Med Chem, Volume 150, 2018";ChEMBL
MM471150;MM471150;O=C1C(c2ccccc2)N(S(=O)(=O)c2ccc(O)cc2)C(=O)C(c2ccccc2)N1S(=O)(=O)c1ccc(O)cc1;FZSXKKGJJJPNLY-UHFFFAOYSA-N;578.62;3.33;;;;;BBB;EPAM;25;0;"<a href=https://www.ebi.ac.uk/chembl/assay_report_card/CHEMBL4198351/  target=_blank>CHEMBL4198351</a>";;;;;;;;;-5.16;;;;;;;;;;;;"Kumar D, Gupta SK, Ganeshpurkar A, Gutti G, Krishnamurthy S, Modi G, Singh SK.: Development of Piperazinediones as dual inhibitor for treatment of Alzheimer's disease. Eur J Med Chem, Volume 150, 2018";ChEMBL
MM471135;MM471135;CCN(CC)c1ccc(C=CC(=O)c2cc(-c3ccc(C(C)C(=O)OC)cc3F)ccc2O)cc1;MEXPFZVBLLCZMC-OQLLNIDSSA-N;475.56;6.22;145967084;;;CHEMBL4209656;BBB;EPAM;25;0;"<a href=https://www.ebi.ac.uk/chembl/assay_report_card/CHEMBL4188382/  target=_blank>CHEMBL4188382</a>";;;;;;;;;-5.18;;;;;;;;;;;;"Cao Z, Yang J, Xu R, Song Q, Zhang X, Liu H, Qiang X, Li Y, Tan Z, Deng Y.: Design, synthesis and evaluation of 4'-OH-flurbiprofen-chalcone hybrids as potential multifunctional agents for Alzheimer's disease treatment. Bioorg Med Chem, Volume 26 (5), 2018";ChEMBL
MM471159;MM471159;O=C1C(Cc2ccccc2)N(S(=O)(=O)c2ccc(O)cc2)C(=O)C(Cc2ccccc2)N1S(=O)(=O)c1ccc(O)cc1;JIDIUFAYOFZXKK-UHFFFAOYSA-N;606.68;3.07;;;;;BBB;EPAM;25;0;"<a href=https://www.ebi.ac.uk/chembl/assay_report_card/CHEMBL4198351/  target=_blank>CHEMBL4198351</a>";;;;;;;;;-5.25;;;;;;;;;;;;"Kumar D, Gupta SK, Ganeshpurkar A, Gutti G, Krishnamurthy S, Modi G, Singh SK.: Development of Piperazinediones as dual inhibitor for treatment of Alzheimer's disease. Eur J Med Chem, Volume 150, 2018";ChEMBL
MM471132;MM471132;COc1ccccc1-c1ccc(C(C)Nc2cncc(N3C(=O)OCC3C(C)C)n2)cc1;ORFUGZARPBMXMB-LAUBAEHRSA-N;432.52;5.31;145966394;;;CHEMBL4210711;BBB;EPAM;25;0;"<a href=https://www.ebi.ac.uk/chembl/assay_report_card/CHEMBL4180912/  target=_blank>CHEMBL4180912</a>";;;;;;;;;-5.18;;;;;;;;;;;;"Ma T, Zou F, Pusch S, Yang L, Zhu Q, Xu Y, Gu Y, von Deimling A, Zha X.: Design, synthesis and biological activity of 3-pyrazine-2-yl-oxazolidin-2-ones as novel, potent and selective inhibitors of mutant isocitrate dehydrogenase 1. Bioorg Med Chem, Volume 25 (24), 2017";ChEMBL
MM471152;MM471152;O=C1C(c2ccccc2)N(S(=O)(=O)c2ccc(Cl)cc2)C(=O)C(c2ccccc2)N1S(=O)(=O)c1ccc(Cl)cc1;AWDIEUWPIRIVDC-UHFFFAOYSA-N;615.52;5.22;;;;;BBB;EPAM;25;0;"<a href=https://www.ebi.ac.uk/chembl/assay_report_card/CHEMBL4198351/  target=_blank>CHEMBL4198351</a>";;;;;;;;;-5.13;;;;;;;;;;;;"Kumar D, Gupta SK, Ganeshpurkar A, Gutti G, Krishnamurthy S, Modi G, Singh SK.: Development of Piperazinediones as dual inhibitor for treatment of Alzheimer's disease. Eur J Med Chem, Volume 150, 2018";ChEMBL
MM471145;MM471145;O=C1CN(S(=O)(=O)c2cccc(Cl)c2)C(=O)CN1S(=O)(=O)c1cccc(Cl)c1;ZZGFEYLJMXLEMZ-UHFFFAOYSA-N;463.32;1.74;;;;;BBB;EPAM;25;0;"<a href=https://www.ebi.ac.uk/chembl/assay_report_card/CHEMBL4198351/  target=_blank>CHEMBL4198351</a>";;;;;;;;;-5.08;;;;;;;;;;;;"Kumar D, Gupta SK, Ganeshpurkar A, Gutti G, Krishnamurthy S, Modi G, Singh SK.: Development of Piperazinediones as dual inhibitor for treatment of Alzheimer's disease. Eur J Med Chem, Volume 150, 2018";ChEMBL
MM471137;MM471137;CCN(Cc1ccccc1)Cc1ccc(NC(=O)Cc2ccc(O)c(O)c2)cc1;NXGXSRJQERFLRS-UHFFFAOYSA-N;390.48;4.3;;;;;BBB;EPAM;25;0;"<a href=https://www.ebi.ac.uk/chembl/assay_report_card/CHEMBL4193463/  target=_blank>CHEMBL4193463</a>";;;;;;;;;-5.36;;;;;;;;;;;;"Wang J, Cai P, Yang XL, Li F, Wu JJ, Kong LY, Wang XB.: Novel cinnamamide-dibenzylamine hybrids: Potent neurogenic agents with antioxidant, cholinergic, and neuroprotective properties as innovative drugs for Alzheimer's disease. Eur J Med Chem, Volume 139, 2017";ChEMBL
MM471161;MM471161;O=C1C(Cc2ccccc2)N(S(=O)(=O)c2ccc([N+](=O)[O-])cc2)C(=O)C(Cc2ccccc2)N1S(=O)(=O)c1ccc([N+](=O)[O-])cc1;BLAOWEJIYCDMGB-UHFFFAOYSA-N;664.67;3.47;;;;;BBB;EPAM;25;+2,-2;"<a href=https://www.ebi.ac.uk/chembl/assay_report_card/CHEMBL4198351/  target=_blank>CHEMBL4198351</a>";;;;;;;;;-5.35;;;;;;;;;;;;"Kumar D, Gupta SK, Ganeshpurkar A, Gutti G, Krishnamurthy S, Modi G, Singh SK.: Development of Piperazinediones as dual inhibitor for treatment of Alzheimer's disease. Eur J Med Chem, Volume 150, 2018";ChEMBL
MM471156;MM471156;O=C1C(c2ccccc2)N(S(=O)(=O)c2ccc(Br)cc2)C(=O)C(c2ccccc2)N1S(=O)(=O)c1ccc(Br)cc1;PFDDVBQKOQRERD-UHFFFAOYSA-N;704.42;5.44;;;;;BBB;EPAM;25;0;"<a href=https://www.ebi.ac.uk/chembl/assay_report_card/CHEMBL4198351/  target=_blank>CHEMBL4198351</a>";;;;;;;;;-5.08;;;;;;;;;;;;"Kumar D, Gupta SK, Ganeshpurkar A, Gutti G, Krishnamurthy S, Modi G, Singh SK.: Development of Piperazinediones as dual inhibitor for treatment of Alzheimer's disease. Eur J Med Chem, Volume 150, 2018";ChEMBL
MM471153;MM471153;O=C1C(c2ccccc2)N(S(=O)(=O)c2ccc([N+](=O)[O-])cc2)C(=O)C(c2ccccc2)N1S(=O)(=O)c1ccc([N+](=O)[O-])cc1;JREVZBFUZBCAHI-UHFFFAOYSA-N;636.62;3.73;;;;;BBB;EPAM;25;+2,-2;"<a href=https://www.ebi.ac.uk/chembl/assay_report_card/CHEMBL4198351/  target=_blank>CHEMBL4198351</a>";;;;;;;;;-5.33;;;;;;;;;;;;"Kumar D, Gupta SK, Ganeshpurkar A, Gutti G, Krishnamurthy S, Modi G, Singh SK.: Development of Piperazinediones as dual inhibitor for treatment of Alzheimer's disease. Eur J Med Chem, Volume 150, 2018";ChEMBL
MM471142;MM471142;O=C1CN(S(=O)(=O)c2ccccc2)C(=O)CN1S(=O)(=O)c1ccccc1;NHASEHCTEAENPG-UHFFFAOYSA-N;394.43;0.44;;;;;BBB;EPAM;25;0;"<a href=https://www.ebi.ac.uk/chembl/assay_report_card/CHEMBL4198351/  target=_blank>CHEMBL4198351</a>";;;;;;;;;-4.98;;;;;;;;;;;;"Kumar D, Gupta SK, Ganeshpurkar A, Gutti G, Krishnamurthy S, Modi G, Singh SK.: Development of Piperazinediones as dual inhibitor for treatment of Alzheimer's disease. Eur J Med Chem, Volume 150, 2018";ChEMBL
MM471148;MM471148;Nc1ccc(S(=O)(=O)N2CC(=O)N(S(=O)(=O)c3ccc(N)cc3)CC2=O)cc1;HLYKQNMYOPEKGU-UHFFFAOYSA-N;424.46;-0.4;;;;;BBB;EPAM;25;0;"<a href=https://www.ebi.ac.uk/chembl/assay_report_card/CHEMBL4198351/  target=_blank>CHEMBL4198351</a>";;;;;;;;;-5.21;;;;;;;;;;;;"Kumar D, Gupta SK, Ganeshpurkar A, Gutti G, Krishnamurthy S, Modi G, Singh SK.: Development of Piperazinediones as dual inhibitor for treatment of Alzheimer's disease. Eur J Med Chem, Volume 150, 2018";ChEMBL
MM471157;MM471157;O=C1C(c2ccccc2)N(S(=O)(=O)c2cccc(Br)c2)C(=O)C(c2ccccc2)N1S(=O)(=O)c1cccc(Br)c1;CMHZFBFUKIIWSL-UHFFFAOYSA-N;704.42;5.44;;;;;BBB;EPAM;25;0;"<a href=https://www.ebi.ac.uk/chembl/assay_report_card/CHEMBL4198351/  target=_blank>CHEMBL4198351</a>";;;;;;;;;-5.02;;;;;;;;;;;;"Kumar D, Gupta SK, Ganeshpurkar A, Gutti G, Krishnamurthy S, Modi G, Singh SK.: Development of Piperazinediones as dual inhibitor for treatment of Alzheimer's disease. Eur J Med Chem, Volume 150, 2018";ChEMBL
MM471136;MM471136;CN(Cc1ccccc1)Cc1ccc(NC(=O)Cc2ccc(O)c(O)c2)cc1;KNINRYGFSSXZLA-UHFFFAOYSA-N;376.46;3.91;;;;;BBB;EPAM;25;0;"<a href=https://www.ebi.ac.uk/chembl/assay_report_card/CHEMBL4193463/  target=_blank>CHEMBL4193463</a>";;;;;;;;;-5.41;;;;;;;;;;;;"Wang J, Cai P, Yang XL, Li F, Wu JJ, Kong LY, Wang XB.: Novel cinnamamide-dibenzylamine hybrids: Potent neurogenic agents with antioxidant, cholinergic, and neuroprotective properties as innovative drugs for Alzheimer's disease. Eur J Med Chem, Volume 139, 2017";ChEMBL
MM471151;MM471151;Nc1ccc(S(=O)(=O)N2C(=O)C(c3ccccc3)N(S(=O)(=O)c3ccc(N)cc3)C(=O)C2c2ccccc2)cc1;QUOALYCSYFNATG-UHFFFAOYSA-N;576.66;3.08;;;;;BBB;EPAM;25;0;"<a href=https://www.ebi.ac.uk/chembl/assay_report_card/CHEMBL4198351/  target=_blank>CHEMBL4198351</a>";;;;;;;;;-5.26;;;;;;;;;;;;"Kumar D, Gupta SK, Ganeshpurkar A, Gutti G, Krishnamurthy S, Modi G, Singh SK.: Development of Piperazinediones as dual inhibitor for treatment of Alzheimer's disease. Eur J Med Chem, Volume 150, 2018";ChEMBL
MM471143;MM471143;Cc1ccc(S(=O)(=O)N2CC(=O)N(S(=O)(=O)c3ccc(C)cc3)CC2=O)cc1;DAFVMWVFXRJGCI-UHFFFAOYSA-N;422.48;1.05;;;;;BBB;EPAM;25;0;"<a href=https://www.ebi.ac.uk/chembl/assay_report_card/CHEMBL4198351/  target=_blank>CHEMBL4198351</a>";;;;;;;;;-4.98;;;;;;;;;;;;"Kumar D, Gupta SK, Ganeshpurkar A, Gutti G, Krishnamurthy S, Modi G, Singh SK.: Development of Piperazinediones as dual inhibitor for treatment of Alzheimer's disease. Eur J Med Chem, Volume 150, 2018";ChEMBL
MM471133;MM471133;CC(C)CCOc1cccc(C(=O)Nc2ccc(C(=O)Nc3cccc4ccccc34)cc2)c1;PMZSWAKDNVTBDF-UHFFFAOYSA-N;452.55;6.77;4201175;;;CHEMBL4216566;BBB;EPAM;25;0;"<a href=https://www.ebi.ac.uk/chembl/assay_report_card/CHEMBL4184799/  target=_blank>CHEMBL4184799</a>";;;;;;;;;-5.09;;;;;;;;;;;;"Zou F, Pusch S, Hua J, Ma T, Yang L, Zhu Q, Xu Y, Gu Y, von Deimling A, Zha X.: Identification of novel allosteric inhibitors of mutant isocitrate dehydrogenase 1 by cross docking-based virtual screening. Bioorg Med Chem Lett, Volume 28 (3), 2018";ChEMBL
MM471139;MM471139;CN(Cc1ccccc1)Cc1ccc(NC(=O)/C=C/c2ccc(O)c(O)c2)cc1;NANDDLAEPXKMHJ-GXDHUFHOSA-N;388.47;4.38;;;;;BBB;EPAM;25;0;"<a href=https://www.ebi.ac.uk/chembl/assay_report_card/CHEMBL4193463/  target=_blank>CHEMBL4193463</a>";;;;;;;;;-5.27;;;;;;;;;;;;"Wang J, Cai P, Yang XL, Li F, Wu JJ, Kong LY, Wang XB.: Novel cinnamamide-dibenzylamine hybrids: Potent neurogenic agents with antioxidant, cholinergic, and neuroprotective properties as innovative drugs for Alzheimer's disease. Eur J Med Chem, Volume 139, 2017";ChEMBL
MM471146;MM471146;O=C1CN(S(=O)(=O)c2ccc(Br)cc2)C(=O)CN1S(=O)(=O)c1ccc(Br)cc1;BRYVXLBZZFSISP-UHFFFAOYSA-N;552.22;1.96;;;;;BBB;EPAM;25;0;"<a href=https://www.ebi.ac.uk/chembl/assay_report_card/CHEMBL4198351/  target=_blank>CHEMBL4198351</a>";;;;;;;;;-5.05;;;;;;;;;;;;"Kumar D, Gupta SK, Ganeshpurkar A, Gutti G, Krishnamurthy S, Modi G, Singh SK.: Development of Piperazinediones as dual inhibitor for treatment of Alzheimer's disease. Eur J Med Chem, Volume 150, 2018";ChEMBL
MM471138;MM471138;COc1ccc(CC(=O)Nc2ccc(CN(C)Cc3ccccc3)cc2)cc1O;HKPNHUAZURUPMZ-UHFFFAOYSA-N;390.48;4.21;;;;;BBB;EPAM;25;0;"<a href=https://www.ebi.ac.uk/chembl/assay_report_card/CHEMBL4193463/  target=_blank>CHEMBL4193463</a>";;;;;;;;;-5.36;;;;;;;;;;;;"Wang J, Cai P, Yang XL, Li F, Wu JJ, Kong LY, Wang XB.: Novel cinnamamide-dibenzylamine hybrids: Potent neurogenic agents with antioxidant, cholinergic, and neuroprotective properties as innovative drugs for Alzheimer's disease. Eur J Med Chem, Volume 139, 2017";ChEMBL
MM471155;MM471155;Cc1cccc(S(=O)(=O)N2C(=O)C(c3ccccc3)N(S(=O)(=O)c3cccc(C)c3)C(=O)C2c2ccccc2)c1;WARRTXYFSVNHOR-UHFFFAOYSA-N;574.68;4.53;;;;;BBB;EPAM;25;0;"<a href=https://www.ebi.ac.uk/chembl/assay_report_card/CHEMBL4198351/  target=_blank>CHEMBL4198351</a>";;;;;;;;;-4.93;;;;;;;;;;;;"Kumar D, Gupta SK, Ganeshpurkar A, Gutti G, Krishnamurthy S, Modi G, Singh SK.: Development of Piperazinediones as dual inhibitor for treatment of Alzheimer's disease. Eur J Med Chem, Volume 150, 2018";ChEMBL
MM471162;MM471162;CCN(CCCCCCn1sc2cc(OC)c(OC)cc2c1=O)Cc1ccccc1;CQVZTWOZSOUXDE-UHFFFAOYSA-N;428.6;5.16;145969647;;;CHEMBL4224820;BBB;EPAM;25;0;"<a href=https://www.ebi.ac.uk/chembl/assay_report_card/CHEMBL4221603/  target=_blank>CHEMBL4221603</a>";;;;;;;;;-4.81;;;;;;;;;;;;"Xu R, Xiao G, Li Y, Liu H, Song Q, Zhang X, Yang Z, Zheng Y, Tan Z, Deng Y.: Multifunctional 5,6-dimethoxybenzo[d]isothiazol-3(2H)-one-N-alkylbenzylamine derivatives with acetylcholinesterase, monoamine oxidases and β-amyloid aggregation inhibitory activities as potential agents against Alzheimer's disease. Bioorg Med Chem, Volume 26 (8), 2018";ChEMBL
MM471163;MM471163;CCN(CCCCCCn1sc2cc(OC)c(OC)cc2c1=O)Cc1ccccc1OC;GDQWCUUOQPSARQ-UHFFFAOYSA-N;458.62;5.17;145969491;;;CHEMBL4226503;BBB;EPAM;25;0;"<a href=https://www.ebi.ac.uk/chembl/assay_report_card/CHEMBL4221603/  target=_blank>CHEMBL4221603</a>";;;;;;;;;-5.36;;;;;;;;;;;;"Xu R, Xiao G, Li Y, Liu H, Song Q, Zhang X, Yang Z, Zheng Y, Tan Z, Deng Y.: Multifunctional 5,6-dimethoxybenzo[d]isothiazol-3(2H)-one-N-alkylbenzylamine derivatives with acetylcholinesterase, monoamine oxidases and β-amyloid aggregation inhibitory activities as potential agents against Alzheimer's disease. Bioorg Med Chem, Volume 26 (8), 2018";ChEMBL
MM471186;MM471186;O=C(NCCC1CCN(Cc2ccccc2)CC1)c1cc(=O)c2c(O)cc(O)cc2o1;JJLKMCMOKOTMJV-UHFFFAOYSA-N;422.48;3.24;;;;;BBB;EPAM;25;0;"<a href=https://www.ebi.ac.uk/chembl/assay_report_card/CHEMBL4273245/  target=_blank>CHEMBL4273245</a>";;;;;;;;;-5.43;;;;;;;;;;;;"Estrada Valencia M, Herrera-Arozamena C, de Andrés L, Pérez C, Morales-García JA, Pérez-Castillo A, Ramos E, Romero A, Viña D, Yáñez M, Laurini E, Pricl S, Rodríguez-Franco MI.: Neurogenic and neuroprotective donepezil-flavonoid hybrids with sigma-1 affinity and inhibition of key enzymes in Alzheimer's disease. Eur J Med Chem, Volume 156, 2018";ChEMBL
MM471183;MM471183;O=C(NCCC1CCN(Cc2ccccc2)CC1)c1cc(=O)c2cc([N+](=O)[O-])ccc2o1;ONXNRNIGCHXJJM-UHFFFAOYSA-N;435.48;3.73;;;;;BBB;EPAM;25;+1,-1;"<a href=https://www.ebi.ac.uk/chembl/assay_report_card/CHEMBL4273245/  target=_blank>CHEMBL4273245</a>";;;;;;;;;-5.09;;;;;;;;;;;;"Estrada Valencia M, Herrera-Arozamena C, de Andrés L, Pérez C, Morales-García JA, Pérez-Castillo A, Ramos E, Romero A, Viña D, Yáñez M, Laurini E, Pricl S, Rodríguez-Franco MI.: Neurogenic and neuroprotective donepezil-flavonoid hybrids with sigma-1 affinity and inhibition of key enzymes in Alzheimer's disease. Eur J Med Chem, Volume 156, 2018";ChEMBL
MM471167;MM471167;O=C(O)/C=C/c1ccc2oc(C(=O)Nc3ccccc3)cc(=O)c2c1;ZXLVCFXOIDADKY-VQHVLOKHSA-N;335.32;3.14;;;;;BBB;EPAM;25;0;"<a href=https://www.ebi.ac.uk/chembl/assay_report_card/CHEMBL4268507/  target=_blank>CHEMBL4268507</a>";;;;;;;;;-6.05;;;;;;;;;;;;"Reis J, Cagide F, Valencia ME, Teixeira J, Bagetta D, Pérez C, Uriarte E, Oliveira PJ, Ortuso F, Alcaro S, Rodríguez-Franco MI, Borges F.: Multi-target-directed ligands for Alzheimer's disease: Discovery of chromone-based monoamine oxidase/cholinesterase inhibitors. Eur J Med Chem, Volume 158, 2018";ChEMBL
MM471164;MM471164;Cc1ccc(NC(=O)c2coc3ccc(/C=C/C(=O)O)cc3c2=O)cc1;WIPNUVMARLFTBD-WEVVVXLNSA-N;349.34;3.45;;;;;BBB;EPAM;25;0;"<a href=https://www.ebi.ac.uk/chembl/assay_report_card/CHEMBL4268507/  target=_blank>CHEMBL4268507</a>";;;;;;;;;-5.8;;;;;;;;;;;;"Reis J, Cagide F, Valencia ME, Teixeira J, Bagetta D, Pérez C, Uriarte E, Oliveira PJ, Ortuso F, Alcaro S, Rodríguez-Franco MI, Borges F.: Multi-target-directed ligands for Alzheimer's disease: Discovery of chromone-based monoamine oxidase/cholinesterase inhibitors. Eur J Med Chem, Volume 158, 2018";ChEMBL
MM471188;MM471188;O=C(NCCC1CCN(Cc2ccccc2)CC1)c1cc(=O)c2cc(O)c(O)cc2o1;GYJZBBWGLRANDB-UHFFFAOYSA-N;422.48;3.24;;;;;BBB;EPAM;25;0;"<a href=https://www.ebi.ac.uk/chembl/assay_report_card/CHEMBL4273245/  target=_blank>CHEMBL4273245</a>";;;;;;;;;-5.49;;;;;;;;;;;;"Estrada Valencia M, Herrera-Arozamena C, de Andrés L, Pérez C, Morales-García JA, Pérez-Castillo A, Ramos E, Romero A, Viña D, Yáñez M, Laurini E, Pricl S, Rodríguez-Franco MI.: Neurogenic and neuroprotective donepezil-flavonoid hybrids with sigma-1 affinity and inhibition of key enzymes in Alzheimer's disease. Eur J Med Chem, Volume 156, 2018";ChEMBL
MM471173;MM471173;O=C(NC1CCN(Cc2ccccc2)CC1)c1cc(=O)c2cc(O)ccc2o1;HWFAMARPORWDKE-UHFFFAOYSA-N;378.43;2.89;;;;;BBB;EPAM;25;0;"<a href=https://www.ebi.ac.uk/chembl/assay_report_card/CHEMBL4273245/  target=_blank>CHEMBL4273245</a>";;;;;;;;;-5.72;;;;;;;;;;;;"Estrada Valencia M, Herrera-Arozamena C, de Andrés L, Pérez C, Morales-García JA, Pérez-Castillo A, Ramos E, Romero A, Viña D, Yáñez M, Laurini E, Pricl S, Rodríguez-Franco MI.: Neurogenic and neuroprotective donepezil-flavonoid hybrids with sigma-1 affinity and inhibition of key enzymes in Alzheimer's disease. Eur J Med Chem, Volume 156, 2018";ChEMBL
MM471180;MM471180;COc1ccc2oc(C(=O)NCCC3CCN(Cc4ccccc4)CC3)cc(=O)c2c1;RVBIUDMTBMMGLC-UHFFFAOYSA-N;420.51;3.83;;;;;BBB;EPAM;25;0;"<a href=https://www.ebi.ac.uk/chembl/assay_report_card/CHEMBL4273245/  target=_blank>CHEMBL4273245</a>";;;;;;;;;-5;;;;;;;;;;;;"Estrada Valencia M, Herrera-Arozamena C, de Andrés L, Pérez C, Morales-García JA, Pérez-Castillo A, Ramos E, Romero A, Viña D, Yáñez M, Laurini E, Pricl S, Rodríguez-Franco MI.: Neurogenic and neuroprotective donepezil-flavonoid hybrids with sigma-1 affinity and inhibition of key enzymes in Alzheimer's disease. Eur J Med Chem, Volume 156, 2018";ChEMBL
MM471166;MM471166;Cc1ccc(NC(=O)c2cc(=O)c3cc(/C=C/C(=O)O)ccc3o2)cc1;FAISWNPDVIRIIE-WEVVVXLNSA-N;349.34;3.45;;;;;BBB;EPAM;25;0;"<a href=https://www.ebi.ac.uk/chembl/assay_report_card/CHEMBL4268507/  target=_blank>CHEMBL4268507</a>";;;;;;;;;-5.82;;;;;;;;;;;;"Reis J, Cagide F, Valencia ME, Teixeira J, Bagetta D, Pérez C, Uriarte E, Oliveira PJ, Ortuso F, Alcaro S, Rodríguez-Franco MI, Borges F.: Multi-target-directed ligands for Alzheimer's disease: Discovery of chromone-based monoamine oxidase/cholinesterase inhibitors. Eur J Med Chem, Volume 158, 2018";ChEMBL
MM471168;MM471168;Cc1ccc(NC(=O)c2coc3ccc(/C=C/C(=O)OCCN(C)C)cc3c2=O)cc1;FIOCFZWNVLEJQA-YRNVUSSQSA-N;420.47;3.47;;;;;BBB;EPAM;25;0;"<a href=https://www.ebi.ac.uk/chembl/assay_report_card/CHEMBL4268507/  target=_blank>CHEMBL4268507</a>";;;;;;;;;-5.01;;;;;;;;;;;;"Reis J, Cagide F, Valencia ME, Teixeira J, Bagetta D, Pérez C, Uriarte E, Oliveira PJ, Ortuso F, Alcaro S, Rodríguez-Franco MI, Borges F.: Multi-target-directed ligands for Alzheimer's disease: Discovery of chromone-based monoamine oxidase/cholinesterase inhibitors. Eur J Med Chem, Volume 158, 2018";ChEMBL
MM471178;MM471178;COc1cc2oc(C(=O)OCCC3CCN(Cc4ccccc4)CC3)cc(=O)c2cc1OC;CZMZUNUZUGWCRN-UHFFFAOYSA-N;451.52;4.27;;;;;BBB;EPAM;25;0;"<a href=https://www.ebi.ac.uk/chembl/assay_report_card/CHEMBL4273245/  target=_blank>CHEMBL4273245</a>";;;;;;;;;-5.25;;;;;;;;;;;;"Estrada Valencia M, Herrera-Arozamena C, de Andrés L, Pérez C, Morales-García JA, Pérez-Castillo A, Ramos E, Romero A, Viña D, Yáñez M, Laurini E, Pricl S, Rodríguez-Franco MI.: Neurogenic and neuroprotective donepezil-flavonoid hybrids with sigma-1 affinity and inhibition of key enzymes in Alzheimer's disease. Eur J Med Chem, Volume 156, 2018";ChEMBL
MM471165;MM471165;O=C(O)/C=C/c1ccc2occ(C(=O)Nc3ccccc3)c(=O)c2c1;DLWNTPFPPXXHTP-VQHVLOKHSA-N;335.32;3.14;;;;;BBB;EPAM;25;0;"<a href=https://www.ebi.ac.uk/chembl/assay_report_card/CHEMBL4268507/  target=_blank>CHEMBL4268507</a>";;;;;;;;;-5.92;;;;;;;;;;;;"Reis J, Cagide F, Valencia ME, Teixeira J, Bagetta D, Pérez C, Uriarte E, Oliveira PJ, Ortuso F, Alcaro S, Rodríguez-Franco MI, Borges F.: Multi-target-directed ligands for Alzheimer's disease: Discovery of chromone-based monoamine oxidase/cholinesterase inhibitors. Eur J Med Chem, Volume 158, 2018";ChEMBL
MM471185;MM471185;COc1cc(OC)c2c(=O)cc(C(=O)NCCC3CCN(Cc4ccccc4)CC3)oc2c1;RNXAJDXEDORTNS-UHFFFAOYSA-N;450.54;3.84;;;;;BBB;EPAM;25;0;"<a href=https://www.ebi.ac.uk/chembl/assay_report_card/CHEMBL4273245/  target=_blank>CHEMBL4273245</a>";;;;;;;;;-5.06;;;;;;;;;;;;"Estrada Valencia M, Herrera-Arozamena C, de Andrés L, Pérez C, Morales-García JA, Pérez-Castillo A, Ramos E, Romero A, Viña D, Yáñez M, Laurini E, Pricl S, Rodríguez-Franco MI.: Neurogenic and neuroprotective donepezil-flavonoid hybrids with sigma-1 affinity and inhibition of key enzymes in Alzheimer's disease. Eur J Med Chem, Volume 156, 2018";ChEMBL
MM471176;MM471176;COc1cc2oc(C(=O)OCC3CCN(Cc4ccccc4)CC3)cc(=O)c2cc1OC;TVAFVIMAUJSJNE-UHFFFAOYSA-N;437.49;3.88;;;;;BBB;EPAM;25;0;"<a href=https://www.ebi.ac.uk/chembl/assay_report_card/CHEMBL4273245/  target=_blank>CHEMBL4273245</a>";;;;;;;;;-5.49;;;;;;;;;;;;"Estrada Valencia M, Herrera-Arozamena C, de Andrés L, Pérez C, Morales-García JA, Pérez-Castillo A, Ramos E, Romero A, Viña D, Yáñez M, Laurini E, Pricl S, Rodríguez-Franco MI.: Neurogenic and neuroprotective donepezil-flavonoid hybrids with sigma-1 affinity and inhibition of key enzymes in Alzheimer's disease. Eur J Med Chem, Volume 156, 2018";ChEMBL
MM471171;MM471171;CN(C)CCOC(=O)/C=C/c1ccc2oc(C(=O)Nc3ccccc3)cc(=O)c2c1;JCGRBDHQHKNQJU-PKNBQFBNSA-N;406.44;3.16;;;;;BBB;EPAM;25;0;"<a href=https://www.ebi.ac.uk/chembl/assay_report_card/CHEMBL4268507/  target=_blank>CHEMBL4268507</a>";;;;;;;;;-5.44;;;;;;;;;;;;"Reis J, Cagide F, Valencia ME, Teixeira J, Bagetta D, Pérez C, Uriarte E, Oliveira PJ, Ortuso F, Alcaro S, Rodríguez-Franco MI, Borges F.: Multi-target-directed ligands for Alzheimer's disease: Discovery of chromone-based monoamine oxidase/cholinesterase inhibitors. Eur J Med Chem, Volume 158, 2018";ChEMBL
MM471182;MM471182;COc1ccc2c(=O)cc(C(=O)NCCC3CCN(Cc4ccccc4)CC3)oc2c1;MYWJWRCXIVJIOX-UHFFFAOYSA-N;420.51;3.83;;;;;BBB;EPAM;25;0;"<a href=https://www.ebi.ac.uk/chembl/assay_report_card/CHEMBL4273245/  target=_blank>CHEMBL4273245</a>";;;;;;;;;-5.12;;;;;;;;;;;;"Estrada Valencia M, Herrera-Arozamena C, de Andrés L, Pérez C, Morales-García JA, Pérez-Castillo A, Ramos E, Romero A, Viña D, Yáñez M, Laurini E, Pricl S, Rodríguez-Franco MI.: Neurogenic and neuroprotective donepezil-flavonoid hybrids with sigma-1 affinity and inhibition of key enzymes in Alzheimer's disease. Eur J Med Chem, Volume 156, 2018";ChEMBL
MM471169;MM471169;CN(C)CCOC(=O)/C=C/c1ccc2occ(C(=O)Nc3ccccc3)c(=O)c2c1;LCTAOJAKRLVNOM-PKNBQFBNSA-N;406.44;3.16;;;;;BBB;EPAM;25;0;"<a href=https://www.ebi.ac.uk/chembl/assay_report_card/CHEMBL4268507/  target=_blank>CHEMBL4268507</a>";;;;;;;;;-5.19;;;;;;;;;;;;"Reis J, Cagide F, Valencia ME, Teixeira J, Bagetta D, Pérez C, Uriarte E, Oliveira PJ, Ortuso F, Alcaro S, Rodríguez-Franco MI, Borges F.: Multi-target-directed ligands for Alzheimer's disease: Discovery of chromone-based monoamine oxidase/cholinesterase inhibitors. Eur J Med Chem, Volume 158, 2018";ChEMBL
MM471175;MM471175;COc1ccc2oc(C(=O)OCC3CCN(Cc4ccccc4)CC3)cc(=O)c2c1;RRMUDFYHNZUTFN-UHFFFAOYSA-N;407.47;3.87;;;;;BBB;EPAM;25;0;"<a href=https://www.ebi.ac.uk/chembl/assay_report_card/CHEMBL4273245/  target=_blank>CHEMBL4273245</a>";;;;;;;;;-5.21;;;;;;;;;;;;"Estrada Valencia M, Herrera-Arozamena C, de Andrés L, Pérez C, Morales-García JA, Pérez-Castillo A, Ramos E, Romero A, Viña D, Yáñez M, Laurini E, Pricl S, Rodríguez-Franco MI.: Neurogenic and neuroprotective donepezil-flavonoid hybrids with sigma-1 affinity and inhibition of key enzymes in Alzheimer's disease. Eur J Med Chem, Volume 156, 2018";ChEMBL
MM471179;MM471179;O=C(NCCC1CCN(Cc2ccccc2)CC1)c1cc(=O)c2ccccc2o1;ADKJHJNFROJLTD-UHFFFAOYSA-N;390.48;3.83;;;;;BBB;EPAM;25;0;"<a href=https://www.ebi.ac.uk/chembl/assay_report_card/CHEMBL4273245/  target=_blank>CHEMBL4273245</a>";;;;;;;;;-5.17;;;;;;;;;;;;"Estrada Valencia M, Herrera-Arozamena C, de Andrés L, Pérez C, Morales-García JA, Pérez-Castillo A, Ramos E, Romero A, Viña D, Yáñez M, Laurini E, Pricl S, Rodríguez-Franco MI.: Neurogenic and neuroprotective donepezil-flavonoid hybrids with sigma-1 affinity and inhibition of key enzymes in Alzheimer's disease. Eur J Med Chem, Volume 156, 2018";ChEMBL
MM471177;MM471177;COc1ccc2oc(C(=O)NCC3CCN(Cc4ccccc4)CC3)cc(=O)c2c1;SOTHYLMUQRADIY-UHFFFAOYSA-N;406.48;3.44;;;;;BBB;EPAM;25;0;"<a href=https://www.ebi.ac.uk/chembl/assay_report_card/CHEMBL4273245/  target=_blank>CHEMBL4273245</a>";;;;;;;;;-5.17;;;;;;;;;;;;"Estrada Valencia M, Herrera-Arozamena C, de Andrés L, Pérez C, Morales-García JA, Pérez-Castillo A, Ramos E, Romero A, Viña D, Yáñez M, Laurini E, Pricl S, Rodríguez-Franco MI.: Neurogenic and neuroprotective donepezil-flavonoid hybrids with sigma-1 affinity and inhibition of key enzymes in Alzheimer's disease. Eur J Med Chem, Volume 156, 2018";ChEMBL
MM471187;MM471187;COc1cc2oc(C(=O)NCCC3CCN(Cc4ccccc4)CC3)cc(=O)c2cc1OC;GWSXEQILOPSURJ-UHFFFAOYSA-N;450.54;3.84;;;;;BBB;EPAM;25;0;"<a href=https://www.ebi.ac.uk/chembl/assay_report_card/CHEMBL4273245/  target=_blank>CHEMBL4273245</a>";;;;;;;;;-5.23;;;;;;;;;;;;"Estrada Valencia M, Herrera-Arozamena C, de Andrés L, Pérez C, Morales-García JA, Pérez-Castillo A, Ramos E, Romero A, Viña D, Yáñez M, Laurini E, Pricl S, Rodríguez-Franco MI.: Neurogenic and neuroprotective donepezil-flavonoid hybrids with sigma-1 affinity and inhibition of key enzymes in Alzheimer's disease. Eur J Med Chem, Volume 156, 2018";ChEMBL
MM471172;MM471172;COc1ccc2oc(C(=O)NC3CCN(Cc4ccccc4)CC3)cc(=O)c2c1;UUECOJIIJDTIAC-UHFFFAOYSA-N;392.46;3.2;;;;;BBB;EPAM;25;0;"<a href=https://www.ebi.ac.uk/chembl/assay_report_card/CHEMBL4273245/  target=_blank>CHEMBL4273245</a>";;;;;;;;;-5.11;;;;;;;;;;;;"Estrada Valencia M, Herrera-Arozamena C, de Andrés L, Pérez C, Morales-García JA, Pérez-Castillo A, Ramos E, Romero A, Viña D, Yáñez M, Laurini E, Pricl S, Rodríguez-Franco MI.: Neurogenic and neuroprotective donepezil-flavonoid hybrids with sigma-1 affinity and inhibition of key enzymes in Alzheimer's disease. Eur J Med Chem, Volume 156, 2018";ChEMBL
MM471181;MM471181;O=C(NCCC1CCN(Cc2ccccc2)CC1)c1cc(=O)c2cc(O)ccc2o1;QSZSCUZHHCRPOC-UHFFFAOYSA-N;406.48;3.53;;;;;BBB;EPAM;25;0;"<a href=https://www.ebi.ac.uk/chembl/assay_report_card/CHEMBL4273245/  target=_blank>CHEMBL4273245</a>";;;;;;;;;-5.55;;;;;;;;;;;;"Estrada Valencia M, Herrera-Arozamena C, de Andrés L, Pérez C, Morales-García JA, Pérez-Castillo A, Ramos E, Romero A, Viña D, Yáñez M, Laurini E, Pricl S, Rodríguez-Franco MI.: Neurogenic and neuroprotective donepezil-flavonoid hybrids with sigma-1 affinity and inhibition of key enzymes in Alzheimer's disease. Eur J Med Chem, Volume 156, 2018";ChEMBL
MM471189;MM471189;COc1ccc2oc(C(=O)NCCCC3CCN(Cc4ccccc4)CC3)cc(=O)c2c1;PPHUUQGGAWURKS-UHFFFAOYSA-N;434.54;4.22;;;;;BBB;EPAM;25;0;"<a href=https://www.ebi.ac.uk/chembl/assay_report_card/CHEMBL4273245/  target=_blank>CHEMBL4273245</a>";;;;;;;;;-4.97;;;;;;;;;;;;"Estrada Valencia M, Herrera-Arozamena C, de Andrés L, Pérez C, Morales-García JA, Pérez-Castillo A, Ramos E, Romero A, Viña D, Yáñez M, Laurini E, Pricl S, Rodríguez-Franco MI.: Neurogenic and neuroprotective donepezil-flavonoid hybrids with sigma-1 affinity and inhibition of key enzymes in Alzheimer's disease. Eur J Med Chem, Volume 156, 2018";ChEMBL
MM471170;MM471170;Cc1ccc(NC(=O)c2cc(=O)c3cc(/C=C/C(=O)OCCN(C)C)ccc3o2)cc1;JRQGALQTHYTIML-YRNVUSSQSA-N;420.47;3.47;;;;;BBB;EPAM;25;0;"<a href=https://www.ebi.ac.uk/chembl/assay_report_card/CHEMBL4268507/  target=_blank>CHEMBL4268507</a>";;;;;;;;;-5.28;;;;;;;;;;;;"Reis J, Cagide F, Valencia ME, Teixeira J, Bagetta D, Pérez C, Uriarte E, Oliveira PJ, Ortuso F, Alcaro S, Rodríguez-Franco MI, Borges F.: Multi-target-directed ligands for Alzheimer's disease: Discovery of chromone-based monoamine oxidase/cholinesterase inhibitors. Eur J Med Chem, Volume 158, 2018";ChEMBL
MM471174;MM471174;COc1cc2oc(C(=O)NC3CCN(Cc4ccccc4)CC3)cc(=O)c2cc1OC;LPAILSHOHFNZBM-UHFFFAOYSA-N;422.48;3.2;;;;;BBB;EPAM;25;0;"<a href=https://www.ebi.ac.uk/chembl/assay_report_card/CHEMBL4273245/  target=_blank>CHEMBL4273245</a>";;;;;;;;;-5.09;;;;;;;;;;;;"Estrada Valencia M, Herrera-Arozamena C, de Andrés L, Pérez C, Morales-García JA, Pérez-Castillo A, Ramos E, Romero A, Viña D, Yáñez M, Laurini E, Pricl S, Rodríguez-Franco MI.: Neurogenic and neuroprotective donepezil-flavonoid hybrids with sigma-1 affinity and inhibition of key enzymes in Alzheimer's disease. Eur J Med Chem, Volume 156, 2018";ChEMBL
MM471184;MM471184;Nc1ccc2oc(C(=O)NCCC3CCN(Cc4ccccc4)CC3)cc(=O)c2c1;IWMNPLRLJRDNCG-UHFFFAOYSA-N;405.5;3.41;;;;;BBB;EPAM;25;0;"<a href=https://www.ebi.ac.uk/chembl/assay_report_card/CHEMBL4273245/  target=_blank>CHEMBL4273245</a>";;;;;;;;;-5.12;;;;;;;;;;;;"Estrada Valencia M, Herrera-Arozamena C, de Andrés L, Pérez C, Morales-García JA, Pérez-Castillo A, Ramos E, Romero A, Viña D, Yáñez M, Laurini E, Pricl S, Rodríguez-Franco MI.: Neurogenic and neuroprotective donepezil-flavonoid hybrids with sigma-1 affinity and inhibition of key enzymes in Alzheimer's disease. Eur J Med Chem, Volume 156, 2018";ChEMBL
MM471190;MM471190;CC(C)(C)c1cc(/C=C/C(=O)NCCC2CCN(Cc3ccccc3F)CC2)cc(C(C)(C)C)c1O;RXSZVSISAHLZBD-VAWYXSNFSA-N;494.7;6.56;;;;;BBB;EPAM;25;0;"<a href=https://www.ebi.ac.uk/chembl/assay_report_card/CHEMBL4274298/  target=_blank>CHEMBL4274298</a>";;;;;;;;;-5.26;;;;;;;;;;;;"Cai P, Fang SQ, Yang HL, Yang XL, Liu QH, Kong LY, Wang XB.: Donepezil-butylated hydroxytoluene (BHT) hybrids as Anti-Alzheimer's disease agents with cholinergic, antioxidant, and neuroprotective properties. Eur J Med Chem, Volume 157, 2018";ChEMBL
MM471059;MM471059;CC1=CCCC2(C)OC2C2OC(=O)C(C)C2CC1;GSVWPONNFJXHJL-IOCBBESTSA-N;250.34;2.84;13966494;;;CHEMBL429762;BBB;EPAM;25;0;"<a href=https://www.ebi.ac.uk/chembl/assay_report_card/CHEMBL2340727/  target=_blank>CHEMBL2340727</a>";;;;;;;;;-4.55;;;;;;;;;;;;"Könczöl A, Müller J, Földes E, Béni Z, Végh K, Kéry A, Balogh GT, Balogh GT.: Applicability of a blood-brain barrier specific artificial membrane permeability assay at the early stage of natural product-based CNS drug discovery. J Nat Prod, Volume 76 (4), 2013";ChEMBL
MM471216;MM471216;COc1ccc2nc(-c3cccc(N4CCc5ccccc5C4)c3)[nH]c2c1;OUIQECUJSIBEJF-UHFFFAOYSA-N;355.44;4.8;;;;;BBB;EPAM;25;0;"<a href=https://www.ebi.ac.uk/chembl/assay_report_card/CHEMBL4340785/  target=_blank>CHEMBL4340785</a>";;;;;;;;;-5.25;;;;;;;;;;;;"Fang Y, Zhou H, Gu Q, Xu J.: Synthesis and evaluation of tetrahydroisoquinoline-benzimidazole hybrids as multifunctional agents for the treatment of Alzheimer's disease. Eur J Med Chem, Volume 167, 2019";ChEMBL
MM471213;MM471213;Fc1ccc2nc(-c3cccc(N4CCc5ccccc5C4)c3)[nH]c2c1;FIGFGCNAIVLGBW-UHFFFAOYSA-N;343.41;4.93;;;;;BBB;EPAM;25;0;"<a href=https://www.ebi.ac.uk/chembl/assay_report_card/CHEMBL4340785/  target=_blank>CHEMBL4340785</a>";;;;;;;;;-4.9;;;;;;;;;;;;"Fang Y, Zhou H, Gu Q, Xu J.: Synthesis and evaluation of tetrahydroisoquinoline-benzimidazole hybrids as multifunctional agents for the treatment of Alzheimer's disease. Eur J Med Chem, Volume 167, 2019";ChEMBL
MM471192;MM471192;O=C(CCCNc1c2c(nc3cc(Cl)ccc13)CCCC2)NC12CC3CC(F)(CC(C1)c1ccccc13)C2;TYMUTPUANLZRMT-UHFFFAOYSA-N;532.1;7.38;;;;;BBB;EPAM;25;0;"<a href=https://www.ebi.ac.uk/chembl/assay_report_card/CHEMBL4307308/  target=_blank>CHEMBL4307308</a>";;;;;;;;;-5.01;;;;;;;;;;;;"Pérez-Areales FJ, Turcu AL, Barniol-Xicota M, Pont C, Pivetta D, Espargaró A, Bartolini M, De Simone A, Andrisano V, Pérez B, Sabate R, Sureda FX, Vázquez S, Muñoz-Torrero D.: A novel class of multitarget anti-Alzheimer benzohomoadamantane‒chlorotacrine hybrids modulating cholinesterases and glutamate NMDA receptors. Eur J Med Chem, Volume 180, 2019";ChEMBL
MM471226;MM471226;CCCCCCCCCCCS(=O)(=O)/C=C/c1ccc(O)c(O)c1;RVQGVPSLTNTVKL-FYWRMAATSA-N;354.51;5.01;;;;;BBB;EPAM;25;0;"<a href=https://www.ebi.ac.uk/chembl/assay_report_card/CHEMBL4348551/  target=_blank>CHEMBL4348551</a>";;;;;;;;;-4.95;;;;;;;;;;;;"Chen Y, Wu B, Hao Y, Liu Y, Zhang Z, Tian C, Ning X, Guo Y, Liu J, Wang X.: Structure-activity relationship studies of (E)-3,4-dihydroxystyryl alkyl sulfones as novel neuroprotective agents based on improved antioxidant, anti-inflammatory activities and BBB permeability. Eur J Med Chem, Volume 171, 2019";ChEMBL
MM471200;MM471200;CC(C)=CCc1c(O)cc(/C=C/c2ccc3c(c2)[C@H](c2cc(O)c4c(c2)OC(C)(C)CC4)[C@@H](c2ccc(O)cc2)O3)cc1O;VIOIWUXYFRFDPD-HDFOJDPKSA-N;590.72;8.56;;;;;BBB;EPAM;25;0;"<a href=https://www.ebi.ac.uk/chembl/assay_report_card/CHEMBL4331636/  target=_blank>CHEMBL4331636</a>";;;;;;;;;-5.16;;;;;;;;;;;;"Tang YW, Shi CJ, Yang HL, Cai P, Liu QH, Yang XL, Kong LY, Wang XB.: Synthesis and evaluation of isoprenylation-resveratrol dimer derivatives against Alzheimer's disease. Eur J Med Chem, Volume 163, 2019";ChEMBL
MM471233;MM471233;C=CCCCCCCS(=O)(=O)/C=C/c1ccc(O)c(O)c1;HHZMWXQBRFRNCM-ZRDIBKRKSA-N;310.42;3.62;;;;;BBB;EPAM;25;0;"<a href=https://www.ebi.ac.uk/chembl/assay_report_card/CHEMBL4348551/  target=_blank>CHEMBL4348551</a>";;;;;;;;;-5.45;;;;;;;;;;;;"Chen Y, Wu B, Hao Y, Liu Y, Zhang Z, Tian C, Ning X, Guo Y, Liu J, Wang X.: Structure-activity relationship studies of (E)-3,4-dihydroxystyryl alkyl sulfones as novel neuroprotective agents based on improved antioxidant, anti-inflammatory activities and BBB permeability. Eur J Med Chem, Volume 171, 2019";ChEMBL
MM471225;MM471225;CCCCCCCCCCS(=O)(=O)/C=C/c1ccc(O)c(O)c1;ZOZVRCJFLRFGDG-WYMLVPIESA-N;340.49;4.62;;;;;BBB;EPAM;25;0;"<a href=https://www.ebi.ac.uk/chembl/assay_report_card/CHEMBL4348551/  target=_blank>CHEMBL4348551</a>";;;;;;;;;-5.06;;;;;;;;;;;;"Chen Y, Wu B, Hao Y, Liu Y, Zhang Z, Tian C, Ning X, Guo Y, Liu J, Wang X.: Structure-activity relationship studies of (E)-3,4-dihydroxystyryl alkyl sulfones as novel neuroprotective agents based on improved antioxidant, anti-inflammatory activities and BBB permeability. Eur J Med Chem, Volume 171, 2019";ChEMBL
MM471222;MM471222;CCCCCCCS(=O)(=O)/C=C/c1ccc(O)c(O)c1;WEVNMUOQSXRULL-PKNBQFBNSA-N;298.4;3.45;;;;;BBB;EPAM;25;0;"<a href=https://www.ebi.ac.uk/chembl/assay_report_card/CHEMBL4348551/  target=_blank>CHEMBL4348551</a>";;;;;;;;;-5.25;;;;;;;;;;;;"Chen Y, Wu B, Hao Y, Liu Y, Zhang Z, Tian C, Ning X, Guo Y, Liu J, Wang X.: Structure-activity relationship studies of (E)-3,4-dihydroxystyryl alkyl sulfones as novel neuroprotective agents based on improved antioxidant, anti-inflammatory activities and BBB permeability. Eur J Med Chem, Volume 171, 2019";ChEMBL
MM471241;MM471241;CC(=O)c1ccc(OCCN2CCN(Cc3ccccc3)CC2)cc1O;ALCYGBKZIXJPOZ-UHFFFAOYSA-N;354.45;2.79;155518028;;;CHEMBL4445756;BBB;EPAM;25;0;"<a href=https://www.ebi.ac.uk/chembl/assay_report_card/CHEMBL4354765/  target=_blank>CHEMBL4354765</a>";;;;;;;;;-4.76;;;;;;;;;;;;"Zhu G, Wang K, Shi J, Zhang P, Yang D, Fan X, Zhang Z, Liu W, Sang Z.: The development of 2-acetylphenol-donepezil hybrids as multifunctional agents for the treatment of Alzheimer's disease. Bioorg Med Chem Lett, Volume 29 (19), 2019";ChEMBL
MM471242;MM471242;CCOP(=O)(OCC)C1(c2ccccc2)N=CC2C(=O)N(c3ccc(F)c(Cl)c3)C(=O)C21;AOHIJBRGGKXQOP-UHFFFAOYSA-N;478.84;4.79;155521287;;;CHEMBL4450506;BBB;EPAM;25;0;"<a href=https://www.ebi.ac.uk/chembl/assay_report_card/CHEMBL4358962/  target=_blank>CHEMBL4358962</a>";;;;;;;;;-5.01;;;;;;;;;;;;"Abás S, Rodríguez-Arévalo S, Bagán A, Griñán-Ferré C, Vasilopoulou F, Brocos-Mosquera I, Muguruza C, Pérez B, Molins E, Luque FJ, Pérez-Lozano P, de Jonghe S, Daelemans D, Naesens L, Brea J, Loza MI, Hernández-Hernández E, García-Sevilla JA, García-Fuster MJ, Radan M, Djikic T, Nikolic K, Pallàs M, Callado LF, Escolano C.: Bicyclic α-Iminophosphonates as High Affinity Imidazoline I2 Receptor Ligands for Alzheimer's Disease. J Med Chem, Volume 63 (7), 2020";ChEMBL
MM471220;MM471220;CCCCCS(=O)(=O)/C=C/c1ccc(O)c(O)c1;IIMVBDPOMMJIKA-VQHVLOKHSA-N;270.35;2.67;;;;;BBB;EPAM;25;0;"<a href=https://www.ebi.ac.uk/chembl/assay_report_card/CHEMBL4348551/  target=_blank>CHEMBL4348551</a>";;;;;;;;;-5.33;;;;;;;;;;;;"Chen Y, Wu B, Hao Y, Liu Y, Zhang Z, Tian C, Ning X, Guo Y, Liu J, Wang X.: Structure-activity relationship studies of (E)-3,4-dihydroxystyryl alkyl sulfones as novel neuroprotective agents based on improved antioxidant, anti-inflammatory activities and BBB permeability. Eur J Med Chem, Volume 171, 2019";ChEMBL
MM471219;MM471219;Fc1cc2[nH]c(-c3cccc(N4CCc5ccccc5C4)c3)nc2cc1Cl;NOFOZSSZVXYILW-UHFFFAOYSA-N;377.85;5.59;;;;;BBB;EPAM;25;0;"<a href=https://www.ebi.ac.uk/chembl/assay_report_card/CHEMBL4340785/  target=_blank>CHEMBL4340785</a>";;;;;;;;;-5;;;;;;;;;;;;"Fang Y, Zhou H, Gu Q, Xu J.: Synthesis and evaluation of tetrahydroisoquinoline-benzimidazole hybrids as multifunctional agents for the treatment of Alzheimer's disease. Eur J Med Chem, Volume 167, 2019";ChEMBL
MM471214;MM471214;Clc1ccc2nc(-c3cccc(N4CCc5ccccc5C4)c3)[nH]c2c1;RJRGCJZXVMFKSA-UHFFFAOYSA-N;359.86;5.45;;;;;BBB;EPAM;25;0;"<a href=https://www.ebi.ac.uk/chembl/assay_report_card/CHEMBL4340785/  target=_blank>CHEMBL4340785</a>";;;;;;;;;-5.31;;;;;;;;;;;;"Fang Y, Zhou H, Gu Q, Xu J.: Synthesis and evaluation of tetrahydroisoquinoline-benzimidazole hybrids as multifunctional agents for the treatment of Alzheimer's disease. Eur J Med Chem, Volume 167, 2019";ChEMBL
MM471202;MM471202;Oc1ccc2nc(-c3cccc(N4CCc5ccccc5C4)n3)[nH]c2c1;BSPUWGRPHLVNSE-UHFFFAOYSA-N;342.4;3.89;;;;;BBB;EPAM;25;0;"<a href=https://www.ebi.ac.uk/chembl/assay_report_card/CHEMBL4340785/  target=_blank>CHEMBL4340785</a>";;;;;;;;;-4.86;;;;;;;;;;;;"Fang Y, Zhou H, Gu Q, Xu J.: Synthesis and evaluation of tetrahydroisoquinoline-benzimidazole hybrids as multifunctional agents for the treatment of Alzheimer's disease. Eur J Med Chem, Volume 167, 2019";ChEMBL
MM471231;MM471231;O=S(=O)(/C=C/c1ccc(O)c(O)c1)CCCCCCCCCCCO;SJEZPFGNCTYMQD-NTCAYCPXSA-N;370.51;3.99;;;;;BBB;EPAM;25;0;"<a href=https://www.ebi.ac.uk/chembl/assay_report_card/CHEMBL4348551/  target=_blank>CHEMBL4348551</a>";;;;;;;;;-5.17;;;;;;;;;;;;"Chen Y, Wu B, Hao Y, Liu Y, Zhang Z, Tian C, Ning X, Guo Y, Liu J, Wang X.: Structure-activity relationship studies of (E)-3,4-dihydroxystyryl alkyl sulfones as novel neuroprotective agents based on improved antioxidant, anti-inflammatory activities and BBB permeability. Eur J Med Chem, Volume 171, 2019";ChEMBL
MM471193;MM471193;O=C(CCCCNc1c2c(nc3cc(Cl)ccc13)CCCC2)NC12CC3CC(F)(CC(C1)c1ccccc13)C2;QCLKADUVPRHWRU-UHFFFAOYSA-N;546.13;7.77;;;;;BBB;EPAM;25;0;"<a href=https://www.ebi.ac.uk/chembl/assay_report_card/CHEMBL4307308/  target=_blank>CHEMBL4307308</a>";;;;;;;;;-5.05;;;;;;;;;;;;"Pérez-Areales FJ, Turcu AL, Barniol-Xicota M, Pont C, Pivetta D, Espargaró A, Bartolini M, De Simone A, Andrisano V, Pérez B, Sabate R, Sureda FX, Vázquez S, Muñoz-Torrero D.: A novel class of multitarget anti-Alzheimer benzohomoadamantane‒chlorotacrine hybrids modulating cholinesterases and glutamate NMDA receptors. Eur J Med Chem, Volume 180, 2019";ChEMBL
MM471217;MM471217;FC(F)(F)c1ccc2nc(-c3cccc(N4CCc5ccccc5C4)c3)[nH]c2c1;BYBUZLMIZNNYIQ-UHFFFAOYSA-N;393.41;5.81;;;;;BBB;EPAM;25;0;"<a href=https://www.ebi.ac.uk/chembl/assay_report_card/CHEMBL4340785/  target=_blank>CHEMBL4340785</a>";;;;;;;;;-5.06;;;;;;;;;;;;"Fang Y, Zhou H, Gu Q, Xu J.: Synthesis and evaluation of tetrahydroisoquinoline-benzimidazole hybrids as multifunctional agents for the treatment of Alzheimer's disease. Eur J Med Chem, Volume 167, 2019";ChEMBL
MM471203;MM471203;COc1ccc2nc(-c3cccc(N4CCc5ccccc5C4)n3)[nH]c2c1;FVDILLFKFXBKPD-UHFFFAOYSA-N;356.43;4.2;;;;;BBB;EPAM;25;0;"<a href=https://www.ebi.ac.uk/chembl/assay_report_card/CHEMBL4340785/  target=_blank>CHEMBL4340785</a>";;;;;;;;;-4.77;;;;;;;;;;;;"Fang Y, Zhou H, Gu Q, Xu J.: Synthesis and evaluation of tetrahydroisoquinoline-benzimidazole hybrids as multifunctional agents for the treatment of Alzheimer's disease. Eur J Med Chem, Volume 167, 2019";ChEMBL
MM471221;MM471221;CCCCCCS(=O)(=O)/C=C/c1ccc(O)c(O)c1;RRVNGSALBMTKDP-CSKARUKUSA-N;284.38;3.06;;;;;BBB;EPAM;25;0;"<a href=https://www.ebi.ac.uk/chembl/assay_report_card/CHEMBL4348551/  target=_blank>CHEMBL4348551</a>";;;;;;;;;-5.08;;;;;;;;;;;;"Chen Y, Wu B, Hao Y, Liu Y, Zhang Z, Tian C, Ning X, Guo Y, Liu J, Wang X.: Structure-activity relationship studies of (E)-3,4-dihydroxystyryl alkyl sulfones as novel neuroprotective agents based on improved antioxidant, anti-inflammatory activities and BBB permeability. Eur J Med Chem, Volume 171, 2019";ChEMBL
MM471212;MM471212;c1cc(-c2nc3ccccc3[nH]2)cc(N2CCc3ccccc3C2)c1;RLOMIXQJKYXQMQ-UHFFFAOYSA-N;325.42;4.79;;;;;BBB;EPAM;25;0;"<a href=https://www.ebi.ac.uk/chembl/assay_report_card/CHEMBL4340785/  target=_blank>CHEMBL4340785</a>";;;;;;;;;-5.07;;;;;;;;;;;;"Fang Y, Zhou H, Gu Q, Xu J.: Synthesis and evaluation of tetrahydroisoquinoline-benzimidazole hybrids as multifunctional agents for the treatment of Alzheimer's disease. Eur J Med Chem, Volume 167, 2019";ChEMBL
MM471194;MM471194;FC12CC3CC(NCCCCNc4c5c(nc6cc(Cl)ccc46)CCCC5)(CC(C1)c1ccccc13)C2;PFHHTCZAEAYBFZ-UHFFFAOYSA-N;518.12;7.85;;;;;BBB;EPAM;25;0;"<a href=https://www.ebi.ac.uk/chembl/assay_report_card/CHEMBL4307308/  target=_blank>CHEMBL4307308</a>";;;;;;;;;-5.2;;;;;;;;;;;;"Pérez-Areales FJ, Turcu AL, Barniol-Xicota M, Pont C, Pivetta D, Espargaró A, Bartolini M, De Simone A, Andrisano V, Pérez B, Sabate R, Sureda FX, Vázquez S, Muñoz-Torrero D.: A novel class of multitarget anti-Alzheimer benzohomoadamantane‒chlorotacrine hybrids modulating cholinesterases and glutamate NMDA receptors. Eur J Med Chem, Volume 180, 2019";ChEMBL
MM471235;MM471235;O=S(=O)(/C=C/c1ccc(O)c(O)c1)CC1CC1;PEVIRBWXMPUELC-AATRIKPKSA-N;254.31;1.89;;;;;BBB;EPAM;25;0;"<a href=https://www.ebi.ac.uk/chembl/assay_report_card/CHEMBL4348551/  target=_blank>CHEMBL4348551</a>";;;;;;;;;-5.41;;;;;;;;;;;;"Chen Y, Wu B, Hao Y, Liu Y, Zhang Z, Tian C, Ning X, Guo Y, Liu J, Wang X.: Structure-activity relationship studies of (E)-3,4-dihydroxystyryl alkyl sulfones as novel neuroprotective agents based on improved antioxidant, anti-inflammatory activities and BBB permeability. Eur J Med Chem, Volume 171, 2019";ChEMBL
MM471196;MM471196;NC12CC3CC(F)(CC(C1)c1cc(NC(=O)CCCNc4c5c(nc6cc(Cl)ccc46)CCCC5)ccc13)C2;KYDRQPDEAFLWHH-UHFFFAOYSA-N;547.12;7.16;;;;;BBB;EPAM;25;0;"<a href=https://www.ebi.ac.uk/chembl/assay_report_card/CHEMBL4307308/  target=_blank>CHEMBL4307308</a>";;;;;;;;;-5.57;;;;;;;;;;;;"Pérez-Areales FJ, Turcu AL, Barniol-Xicota M, Pont C, Pivetta D, Espargaró A, Bartolini M, De Simone A, Andrisano V, Pérez B, Sabate R, Sureda FX, Vázquez S, Muñoz-Torrero D.: A novel class of multitarget anti-Alzheimer benzohomoadamantane‒chlorotacrine hybrids modulating cholinesterases and glutamate NMDA receptors. Eur J Med Chem, Volume 180, 2019";ChEMBL
MM471237;MM471237;O=S(=O)(/C=C/c1ccc(O)c(O)c1)CC1CCCC1;KJVCTJALFNHNFT-BQYQJAHWSA-N;282.36;2.67;;;;;BBB;EPAM;25;0;"<a href=https://www.ebi.ac.uk/chembl/assay_report_card/CHEMBL4348551/  target=_blank>CHEMBL4348551</a>";;;;;;;;;-5.16;;;;;;;;;;;;"Chen Y, Wu B, Hao Y, Liu Y, Zhang Z, Tian C, Ning X, Guo Y, Liu J, Wang X.: Structure-activity relationship studies of (E)-3,4-dihydroxystyryl alkyl sulfones as novel neuroprotective agents based on improved antioxidant, anti-inflammatory activities and BBB permeability. Eur J Med Chem, Volume 171, 2019";ChEMBL
MM471218;MM471218;Clc1cc2nc(-c3cccc(N4CCc5ccccc5C4)c3)[nH]c2cc1Cl;XDDUYVSNBCCRHX-UHFFFAOYSA-N;394.31;6.1;;;;;BBB;EPAM;25;0;"<a href=https://www.ebi.ac.uk/chembl/assay_report_card/CHEMBL4340785/  target=_blank>CHEMBL4340785</a>";;;;;;;;;-5;;;;;;;;;;;;"Fang Y, Zhou H, Gu Q, Xu J.: Synthesis and evaluation of tetrahydroisoquinoline-benzimidazole hybrids as multifunctional agents for the treatment of Alzheimer's disease. Eur J Med Chem, Volume 167, 2019";ChEMBL
MM471224;MM471224;CCCCCCCCCS(=O)(=O)/C=C/c1ccc(O)c(O)c1;DZWCJQMWWWGNSI-ACCUITESSA-N;326.46;4.23;;;;;BBB;EPAM;25;0;"<a href=https://www.ebi.ac.uk/chembl/assay_report_card/CHEMBL4348551/  target=_blank>CHEMBL4348551</a>";;;;;;;;;-5.02;;;;;;;;;;;;"Chen Y, Wu B, Hao Y, Liu Y, Zhang Z, Tian C, Ning X, Guo Y, Liu J, Wang X.: Structure-activity relationship studies of (E)-3,4-dihydroxystyryl alkyl sulfones as novel neuroprotective agents based on improved antioxidant, anti-inflammatory activities and BBB permeability. Eur J Med Chem, Volume 171, 2019";ChEMBL
MM471201;MM471201;c1cc(-c2nc3ccccc3[nH]2)nc(N2CCc3ccccc3C2)c1;BHGOBESUTSBTHS-UHFFFAOYSA-N;326.4;4.19;;;;;BBB;EPAM;25;0;"<a href=https://www.ebi.ac.uk/chembl/assay_report_card/CHEMBL4340785/  target=_blank>CHEMBL4340785</a>";;;;;;;;;-4.8;;;;;;;;;;;;"Fang Y, Zhou H, Gu Q, Xu J.: Synthesis and evaluation of tetrahydroisoquinoline-benzimidazole hybrids as multifunctional agents for the treatment of Alzheimer's disease. Eur J Med Chem, Volume 167, 2019";ChEMBL
MM471223;MM471223;CCCCCCCCS(=O)(=O)/C=C/c1ccc(O)c(O)c1;JFGPQSOVDYCNSD-ZRDIBKRKSA-N;312.43;3.84;;;;;BBB;EPAM;25;0;"<a href=https://www.ebi.ac.uk/chembl/assay_report_card/CHEMBL4348551/  target=_blank>CHEMBL4348551</a>";;;;;;;;;-5.28;;;;;;;;;;;;"Chen Y, Wu B, Hao Y, Liu Y, Zhang Z, Tian C, Ning X, Guo Y, Liu J, Wang X.: Structure-activity relationship studies of (E)-3,4-dihydroxystyryl alkyl sulfones as novel neuroprotective agents based on improved antioxidant, anti-inflammatory activities and BBB permeability. Eur J Med Chem, Volume 171, 2019";ChEMBL
MM471209;MM471209;COc1ccc2c(c1)CCN(c1cccc(-c3nc4ccc(OC)cc4[nH]3)n1)C2;JFVPJYHTMWUGOU-UHFFFAOYSA-N;386.46;4.2;;;;;BBB;EPAM;25;0;"<a href=https://www.ebi.ac.uk/chembl/assay_report_card/CHEMBL4340785/  target=_blank>CHEMBL4340785</a>";;;;;;;;;-4.94;;;;;;;;;;;;"Fang Y, Zhou H, Gu Q, Xu J.: Synthesis and evaluation of tetrahydroisoquinoline-benzimidazole hybrids as multifunctional agents for the treatment of Alzheimer's disease. Eur J Med Chem, Volume 167, 2019";ChEMBL
MM471204;MM471204;Fc1cc2nc(-c3cccc(N4CCc5ccccc5C4)n3)[nH]c2cc1F;OBIWUPGOOAEEHR-UHFFFAOYSA-N;362.38;4.47;;;;;BBB;EPAM;25;0;"<a href=https://www.ebi.ac.uk/chembl/assay_report_card/CHEMBL4340785/  target=_blank>CHEMBL4340785</a>";;;;;;;;;-4.86;;;;;;;;;;;;"Fang Y, Zhou H, Gu Q, Xu J.: Synthesis and evaluation of tetrahydroisoquinoline-benzimidazole hybrids as multifunctional agents for the treatment of Alzheimer's disease. Eur J Med Chem, Volume 167, 2019";ChEMBL
MM471227;MM471227;CCCCCCCCCCCCS(=O)(=O)/C=C/c1ccc(O)c(O)c1;PCOJPJDCVVBLIC-JQIJEIRASA-N;368.54;5.4;;;;;BBB;EPAM;25;0;"<a href=https://www.ebi.ac.uk/chembl/assay_report_card/CHEMBL4348551/  target=_blank>CHEMBL4348551</a>";;;;;;;;;-5.05;;;;;;;;;;;;"Chen Y, Wu B, Hao Y, Liu Y, Zhang Z, Tian C, Ning X, Guo Y, Liu J, Wang X.: Structure-activity relationship studies of (E)-3,4-dihydroxystyryl alkyl sulfones as novel neuroprotective agents based on improved antioxidant, anti-inflammatory activities and BBB permeability. Eur J Med Chem, Volume 171, 2019";ChEMBL
MM471230;MM471230;O=S(=O)(/C=C/c1ccc(O)c(O)c1)CCCCCCCCCO;AIWNRRRDUXCGEE-JLHYYAGUSA-N;342.46;3.21;;;;;BBB;EPAM;25;0;"<a href=https://www.ebi.ac.uk/chembl/assay_report_card/CHEMBL4348551/  target=_blank>CHEMBL4348551</a>";;;;;;;;;-5.33;;;;;;;;;;;;"Chen Y, Wu B, Hao Y, Liu Y, Zhang Z, Tian C, Ning X, Guo Y, Liu J, Wang X.: Structure-activity relationship studies of (E)-3,4-dihydroxystyryl alkyl sulfones as novel neuroprotective agents based on improved antioxidant, anti-inflammatory activities and BBB permeability. Eur J Med Chem, Volume 171, 2019";ChEMBL
MM471236;MM471236;O=S(=O)(/C=C/c1ccc(O)c(O)c1)CC1CCC1;AODBPROFEJGJPN-VOTSOKGWSA-N;268.33;2.28;;;;;BBB;EPAM;25;0;"<a href=https://www.ebi.ac.uk/chembl/assay_report_card/CHEMBL4348551/  target=_blank>CHEMBL4348551</a>";;;;;;;;;-5.29;;;;;;;;;;;;"Chen Y, Wu B, Hao Y, Liu Y, Zhang Z, Tian C, Ning X, Guo Y, Liu J, Wang X.: Structure-activity relationship studies of (E)-3,4-dihydroxystyryl alkyl sulfones as novel neuroprotective agents based on improved antioxidant, anti-inflammatory activities and BBB permeability. Eur J Med Chem, Volume 171, 2019";ChEMBL
MM471207;MM471207;Clc1ccc2nc(-c3cccc(N4CCc5ccccc5C4)n3)[nH]c2c1;NPCWVGZQSDZVHW-UHFFFAOYSA-N;360.85;4.84;;;;;BBB;EPAM;25;0;"<a href=https://www.ebi.ac.uk/chembl/assay_report_card/CHEMBL4340785/  target=_blank>CHEMBL4340785</a>";;;;;;;;;-4.78;;;;;;;;;;;;"Fang Y, Zhou H, Gu Q, Xu J.: Synthesis and evaluation of tetrahydroisoquinoline-benzimidazole hybrids as multifunctional agents for the treatment of Alzheimer's disease. Eur J Med Chem, Volume 167, 2019";ChEMBL
MM471206;MM471206;Fc1ccc2nc(-c3cccc(N4CCc5ccccc5C4)n3)[nH]c2c1;ICDDELGQEKIFIM-UHFFFAOYSA-N;344.39;4.33;;;;;BBB;EPAM;25;0;"<a href=https://www.ebi.ac.uk/chembl/assay_report_card/CHEMBL4340785/  target=_blank>CHEMBL4340785</a>";;;;;;;;;-4.84;;;;;;;;;;;;"Fang Y, Zhou H, Gu Q, Xu J.: Synthesis and evaluation of tetrahydroisoquinoline-benzimidazole hybrids as multifunctional agents for the treatment of Alzheimer's disease. Eur J Med Chem, Volume 167, 2019";ChEMBL
MM471198;MM471198;O=C(/C=C/c1ccc(OCCCCCCN2CCCC2)cc1)c1ccc(OCCCCCCN2CCCC2)cc1O;HMJSYJOCHJOOKM-HMMYKYKNSA-N;562.8;7.36;;;;;BBB;EPAM;25;0;"<a href=https://www.ebi.ac.uk/chembl/assay_report_card/CHEMBL4314243/  target=_blank>CHEMBL4314243</a>";;;;;;;;;-5.01;;;;;;;;;;;;"Bai P, Wang K, Zhang P, Shi J, Cheng X, Zhang Q, Zheng C, Cheng Y, Yang J, Lu X, Sang Z.: Development of chalcone-O-alkylamine derivatives as multifunctional agents against Alzheimer's disease. Eur J Med Chem, Volume 183, 2019";ChEMBL
MM471234;MM471234;C=CCCCCCCCS(=O)(=O)/C=C/c1ccc(O)c(O)c1;VHIIDBGCEPKXMV-ACCUITESSA-N;324.44;4.01;;;;;BBB;EPAM;25;0;"<a href=https://www.ebi.ac.uk/chembl/assay_report_card/CHEMBL4348551/  target=_blank>CHEMBL4348551</a>";;;;;;;;;-5.45;;;;;;;;;;;;"Chen Y, Wu B, Hao Y, Liu Y, Zhang Z, Tian C, Ning X, Guo Y, Liu J, Wang X.: Structure-activity relationship studies of (E)-3,4-dihydroxystyryl alkyl sulfones as novel neuroprotective agents based on improved antioxidant, anti-inflammatory activities and BBB permeability. Eur J Med Chem, Volume 171, 2019";ChEMBL
MM471240;MM471240;CCN(CCCCOc1ccc(C(C)=O)c(O)c1)Cc1ccccc1;WUYSKQODHVACAH-UHFFFAOYSA-N;341.45;4.28;155551396;;;CHEMBL4542187;BBB;EPAM;25;0;"<a href=https://www.ebi.ac.uk/chembl/assay_report_card/CHEMBL4354765/  target=_blank>CHEMBL4354765</a>";;;;;;;;;-4.82;;;;;;;;;;;;"Zhu G, Wang K, Shi J, Zhang P, Yang D, Fan X, Zhang Z, Liu W, Sang Z.: The development of 2-acetylphenol-donepezil hybrids as multifunctional agents for the treatment of Alzheimer's disease. Bioorg Med Chem Lett, Volume 29 (19), 2019";ChEMBL
MM471228;MM471228;O=S(=O)(/C=C/c1ccc(O)c(O)c1)CCCCCCCO;NAXNLFLZKRDTCC-DHZHZOJOSA-N;314.4;2.43;;;;;BBB;EPAM;25;0;"<a href=https://www.ebi.ac.uk/chembl/assay_report_card/CHEMBL4348551/  target=_blank>CHEMBL4348551</a>";;;;;;;;;-5.66;;;;;;;;;;;;"Chen Y, Wu B, Hao Y, Liu Y, Zhang Z, Tian C, Ning X, Guo Y, Liu J, Wang X.: Structure-activity relationship studies of (E)-3,4-dihydroxystyryl alkyl sulfones as novel neuroprotective agents based on improved antioxidant, anti-inflammatory activities and BBB permeability. Eur J Med Chem, Volume 171, 2019";ChEMBL
MM471273;MM471273;COc1ccc(C=CC(=O)C=C(O)C=Cc2ccc(OC)cc2)cc1;UOIUXHFXWVZDEI-WTJGCYTNSA-N;336.39;4.44;10533009;;;CHEMBL454662;BBB;EPAM;25;0;"<a href=https://www.ebi.ac.uk/chembl/assay_report_card/CHEMBL3769119/  target=_blank>CHEMBL3769119</a>";;;;;;;;;-5.55;;;;;;;;;;;;"Di Martino RM, De Simone A, Andrisano V, Bisignano P, Bisi A, Gobbi S, Rampa A, Fato R, Bergamini C, Perez DI, Martinez A, Bottegoni G, Cavalli A, Belluti F.: Versatility of the Curcumin Scaffold: Discovery of Potent and Balanced Dual BACE-1 and GSK-3β Inhibitors. J Med Chem, Volume 59 (2), 2016";ChEMBL
MM471199;MM471199;CC(C)=CCc1c(O)cc(/C=C/c2ccc3c(c2)[C@H](c2cc(O)c(CC=C(C)C)c(O)c2)[C@@H](c2ccc(O)cc2)O3)cc1O;UYKFUIAVFNZCOX-JOWHXBOZSA-N;590.72;8.67;;;;;BBB;EPAM;25;0;"<a href=https://www.ebi.ac.uk/chembl/assay_report_card/CHEMBL4331636/  target=_blank>CHEMBL4331636</a>";;;;;;;;;-5;;;;;;;;;;;;"Tang YW, Shi CJ, Yang HL, Cai P, Liu QH, Yang XL, Kong LY, Wang XB.: Synthesis and evaluation of isoprenylation-resveratrol dimer derivatives against Alzheimer's disease. Eur J Med Chem, Volume 163, 2019";ChEMBL
MM471205;MM471205;FC(F)(F)Oc1ccc2nc(-c3cccc(N4CCc5ccccc5C4)n3)[nH]c2c1;PVORQJIYGNGHOY-UHFFFAOYSA-N;410.4;5.09;;;;;BBB;EPAM;25;0;"<a href=https://www.ebi.ac.uk/chembl/assay_report_card/CHEMBL4340785/  target=_blank>CHEMBL4340785</a>";;;;;;;;;-5;;;;;;;;;;;;"Fang Y, Zhou H, Gu Q, Xu J.: Synthesis and evaluation of tetrahydroisoquinoline-benzimidazole hybrids as multifunctional agents for the treatment of Alzheimer's disease. Eur J Med Chem, Volume 167, 2019";ChEMBL
MM471215;MM471215;Cc1ccc2nc(-c3cccc(N4CCc5ccccc5C4)c3)[nH]c2c1;MUKPACDIPDZJEU-UHFFFAOYSA-N;339.44;5.1;;;;;BBB;EPAM;25;0;"<a href=https://www.ebi.ac.uk/chembl/assay_report_card/CHEMBL4340785/  target=_blank>CHEMBL4340785</a>";;;;;;;;;-5.02;;;;;;;;;;;;"Fang Y, Zhou H, Gu Q, Xu J.: Synthesis and evaluation of tetrahydroisoquinoline-benzimidazole hybrids as multifunctional agents for the treatment of Alzheimer's disease. Eur J Med Chem, Volume 167, 2019";ChEMBL
MM471293;MM471293;O=c1[nH]c2c([N+](=O)[O-])cc(C(F)(F)F)cc2cc1Br;APZJNPYZZFPAOJ-UHFFFAOYSA-N;337.05;3.22;;;;;BBB;EPAM;25;+1,-1;"<a href=https://www.ebi.ac.uk/chembl/assay_report_card/CHEMBL4345842/  target=_blank>CHEMBL4345842</a>";;;;;;;;;-4.35;;;;;;;;;;;;"Pedron J, Boudot C, Brossas JY, Pinault E, Bourgeade-Delmas S, Sournia-Saquet A, Boutet-Robinet E, Destere A, Tronnet A, Bergé J, Bonduelle C, Deraeve C, Pratviel G, Stigliani JL, Paris L, Mazier D, Corvaisier S, Since M, Malzert-Fréon A, Wyllie S, Milne R, Fairlamb AH, Valentin A, Courtioux B, Verhaeghe P.: New 8-Nitroquinolinone Derivative Displaying Submicromolar in Vitro Activities against Both Trypanosoma brucei and cruzi. ACS Med Chem Lett, Volume 11 (4), 2020";ChEMBL
MM471195;MM471195;FC12CC3CC(NCCCCCNc4c5c(nc6cc(Cl)ccc46)CCCC5)(CC(C1)c1ccccc13)C2;KGFCDQGKQARIBX-UHFFFAOYSA-N;532.15;8.24;;;;;BBB;EPAM;25;0;"<a href=https://www.ebi.ac.uk/chembl/assay_report_card/CHEMBL4307308/  target=_blank>CHEMBL4307308</a>";;;;;;;;;-5.19;;;;;;;;;;;;"Pérez-Areales FJ, Turcu AL, Barniol-Xicota M, Pont C, Pivetta D, Espargaró A, Bartolini M, De Simone A, Andrisano V, Pérez B, Sabate R, Sureda FX, Vázquez S, Muñoz-Torrero D.: A novel class of multitarget anti-Alzheimer benzohomoadamantane‒chlorotacrine hybrids modulating cholinesterases and glutamate NMDA receptors. Eur J Med Chem, Volume 180, 2019";ChEMBL
MM471295;MM471295;O=C(O)c1ccc(-c2cc3cc(Br)cc([N+](=O)[O-])c3[nH]c2=O)cc1;PMEMCEAEAHJWFS-UHFFFAOYSA-N;389.16;3.56;;;;;BBB;EPAM;25;+1,-1;"<a href=https://www.ebi.ac.uk/chembl/assay_report_card/CHEMBL4345842/  target=_blank>CHEMBL4345842</a>";;;;;;;;;-5.9;;;;;;;;;;;;"Pedron J, Boudot C, Brossas JY, Pinault E, Bourgeade-Delmas S, Sournia-Saquet A, Boutet-Robinet E, Destere A, Tronnet A, Bergé J, Bonduelle C, Deraeve C, Pratviel G, Stigliani JL, Paris L, Mazier D, Corvaisier S, Since M, Malzert-Fréon A, Wyllie S, Milne R, Fairlamb AH, Valentin A, Courtioux B, Verhaeghe P.: New 8-Nitroquinolinone Derivative Displaying Submicromolar in Vitro Activities against Both Trypanosoma brucei and cruzi. ACS Med Chem Lett, Volume 11 (4), 2020";ChEMBL
MM471239;MM471239;O=S(=O)(/C=C/c1ccc(O)c(O)c1)CCC1CCCC1;RJLAPSJADIRNQA-CSKARUKUSA-N;296.39;3.06;;;;;BBB;EPAM;25;0;"<a href=https://www.ebi.ac.uk/chembl/assay_report_card/CHEMBL4348551/  target=_blank>CHEMBL4348551</a>";;;;;;;;;-5.09;;;;;;;;;;;;"Chen Y, Wu B, Hao Y, Liu Y, Zhang Z, Tian C, Ning X, Guo Y, Liu J, Wang X.: Structure-activity relationship studies of (E)-3,4-dihydroxystyryl alkyl sulfones as novel neuroprotective agents based on improved antioxidant, anti-inflammatory activities and BBB permeability. Eur J Med Chem, Volume 171, 2019";ChEMBL
MM471294;MM471294;O=c1[nH]c2c([N+](=O)[O-])cc(Br)cc2cc1Cl;HIMVBHQVLQAFMR-UHFFFAOYSA-N;303.5;2.85;;;;;BBB;EPAM;25;+1,-1;"<a href=https://www.ebi.ac.uk/chembl/assay_report_card/CHEMBL4345842/  target=_blank>CHEMBL4345842</a>";;;;;;;;;-4.39;;;;;;;;;;;;"Pedron J, Boudot C, Brossas JY, Pinault E, Bourgeade-Delmas S, Sournia-Saquet A, Boutet-Robinet E, Destere A, Tronnet A, Bergé J, Bonduelle C, Deraeve C, Pratviel G, Stigliani JL, Paris L, Mazier D, Corvaisier S, Since M, Malzert-Fréon A, Wyllie S, Milne R, Fairlamb AH, Valentin A, Courtioux B, Verhaeghe P.: New 8-Nitroquinolinone Derivative Displaying Submicromolar in Vitro Activities against Both Trypanosoma brucei and cruzi. ACS Med Chem Lett, Volume 11 (4), 2020";ChEMBL
MM471232;MM471232;C=CCCCCCS(=O)(=O)/C=C/c1ccc(O)c(O)c1;IEPAESCXSPZRSR-PKNBQFBNSA-N;296.39;3.23;;;;;BBB;EPAM;25;0;"<a href=https://www.ebi.ac.uk/chembl/assay_report_card/CHEMBL4348551/  target=_blank>CHEMBL4348551</a>";;;;;;;;;-5.34;;;;;;;;;;;;"Chen Y, Wu B, Hao Y, Liu Y, Zhang Z, Tian C, Ning X, Guo Y, Liu J, Wang X.: Structure-activity relationship studies of (E)-3,4-dihydroxystyryl alkyl sulfones as novel neuroprotective agents based on improved antioxidant, anti-inflammatory activities and BBB permeability. Eur J Med Chem, Volume 171, 2019";ChEMBL
MM471210;MM471210;Fc1ccc2c(c1)CCN(c1cccc(-c3nc4ccc(F)cc4[nH]3)n1)C2;WSDDFZFZFHEOEM-UHFFFAOYSA-N;362.38;4.47;;;;;BBB;EPAM;25;0;"<a href=https://www.ebi.ac.uk/chembl/assay_report_card/CHEMBL4340785/  target=_blank>CHEMBL4340785</a>";;;;;;;;;-4.85;;;;;;;;;;;;"Fang Y, Zhou H, Gu Q, Xu J.: Synthesis and evaluation of tetrahydroisoquinoline-benzimidazole hybrids as multifunctional agents for the treatment of Alzheimer's disease. Eur J Med Chem, Volume 167, 2019";ChEMBL
MM471208;MM471208;FC(F)(F)c1ccc2nc(-c3cccc(N4CCc5ccccc5C4)n3)[nH]c2c1;XFXNOPJDCWHCHB-UHFFFAOYSA-N;394.4;5.21;;;;;BBB;EPAM;25;0;"<a href=https://www.ebi.ac.uk/chembl/assay_report_card/CHEMBL4340785/  target=_blank>CHEMBL4340785</a>";;;;;;;;;-5.27;;;;;;;;;;;;"Fang Y, Zhou H, Gu Q, Xu J.: Synthesis and evaluation of tetrahydroisoquinoline-benzimidazole hybrids as multifunctional agents for the treatment of Alzheimer's disease. Eur J Med Chem, Volume 167, 2019";ChEMBL
MM471229;MM471229;O=S(=O)(/C=C/c1ccc(O)c(O)c1)CCCCCCCCO;HHLGKUWNWQRCCY-FMIVXFBMSA-N;328.43;2.82;;;;;BBB;EPAM;25;0;"<a href=https://www.ebi.ac.uk/chembl/assay_report_card/CHEMBL4348551/  target=_blank>CHEMBL4348551</a>";;;;;;;;;-5.49;;;;;;;;;;;;"Chen Y, Wu B, Hao Y, Liu Y, Zhang Z, Tian C, Ning X, Guo Y, Liu J, Wang X.: Structure-activity relationship studies of (E)-3,4-dihydroxystyryl alkyl sulfones as novel neuroprotective agents based on improved antioxidant, anti-inflammatory activities and BBB permeability. Eur J Med Chem, Volume 171, 2019";ChEMBL
MM471197;MM471197;NC12CC3CC(F)(CC(C1)c1cc(NC(=O)CCCCNc4c5c(nc6cc(Cl)ccc46)CCCC5)ccc13)C2;YCQJXONOYVGKOF-UHFFFAOYSA-N;561.15;7.55;;;;;BBB;EPAM;25;0;"<a href=https://www.ebi.ac.uk/chembl/assay_report_card/CHEMBL4307308/  target=_blank>CHEMBL4307308</a>";;;;;;;;;-5.51;;;;;;;;;;;;"Pérez-Areales FJ, Turcu AL, Barniol-Xicota M, Pont C, Pivetta D, Espargaró A, Bartolini M, De Simone A, Andrisano V, Pérez B, Sabate R, Sureda FX, Vázquez S, Muñoz-Torrero D.: A novel class of multitarget anti-Alzheimer benzohomoadamantane‒chlorotacrine hybrids modulating cholinesterases and glutamate NMDA receptors. Eur J Med Chem, Volume 180, 2019";ChEMBL
MM471054;MM471054;COc1cc2c(cc1OC)C1Cc3ccc(OC)c(OC)c3CN1CC2;AEQDJSLRWYMAQI-KRWDZBQOSA-N;355.43;3.38;72301;;;CHEMBL487182;BBB;EPAM;25;0;"<a href=https://www.ebi.ac.uk/chembl/assay_report_card/CHEMBL2340727/  target=_blank>CHEMBL2340727</a>";;;;;;;;;-4.7;;;;;;;;;;;;"Könczöl A, Müller J, Földes E, Béni Z, Végh K, Kéry A, Balogh GT, Balogh GT.: Applicability of a blood-brain barrier specific artificial membrane permeability assay at the early stage of natural product-based CNS drug discovery. J Nat Prod, Volume 76 (4), 2013";ChEMBL
Piroxicam;MM00682;CN1C(C(=O)Nc2ccccn2)=C(O)c2ccccc2S1(=O)=O;QYSPLQLAKJAUJT-UHFFFAOYSA-N;331.35;1.58;54676228;DB00554;;CHEMBL527;BBB;EPAM;25;0;"<a href=https://www.ebi.ac.uk/chembl/assay_report_card/CHEMBL3366747/  target=_blank>CHEMBL3366747</a>";;;;;;;;;-5.74;;;;;;;;;;;;"Pérez-Areales FJ, Di Pietro O, Espargaró A, Vallverdú-Queralt A, Galdeano C, Ragusa IM, Viayna E, Guillou C, Clos MV, Pérez B, Sabaté R, Lamuela-Raventós RM, Luque FJ, Muñoz-Torrero D.: Shogaol-huprine hybrids: dual antioxidant and anticholinesterase agents with β-amyloid and tau anti-aggregating properties. Bioorg Med Chem, Volume 22 (19), 2014";ChEMBL
Piroxicam;MM00682;CN1C(C(=O)Nc2ccccn2)=C(O)c2ccccc2S1(=O)=O;QYSPLQLAKJAUJT-UHFFFAOYSA-N;331.35;1.58;54676228;DB00554;;CHEMBL527;BBB;EPAM;25;0;"<a href=https://www.ebi.ac.uk/chembl/assay_report_card/CHEMBL3787917/  target=_blank>CHEMBL3787917</a>";;;;;;;;;-6.14;;;;;;;;;;;;"Li Y, Qiang X, Luo L, Li Y, Xiao G, Tan Z, Deng Y.: Synthesis and evaluation of 4-hydroxyl aurone derivatives as multifunctional agents for the treatment of Alzheimer's disease. Bioorg Med Chem, Volume 24 (10), 2016";ChEMBL
Piroxicam;MM00682;CN1C(C(=O)Nc2ccccn2)=C(O)c2ccccc2S1(=O)=O;QYSPLQLAKJAUJT-UHFFFAOYSA-N;331.35;1.58;54676228;DB00554;;CHEMBL527;BBB;EPAM;25;0;"<a href=https://www.ebi.ac.uk/chembl/assay_report_card/CHEMBL3787919/  target=_blank>CHEMBL3787919</a>";;;;;;;;;-5.6;;;;;;;;;;;;"Li Y, Qiang X, Luo L, Li Y, Xiao G, Tan Z, Deng Y.: Synthesis and evaluation of 4-hydroxyl aurone derivatives as multifunctional agents for the treatment of Alzheimer's disease. Bioorg Med Chem, Volume 24 (10), 2016";ChEMBL
Piroxicam;MM00682;CN1C(C(=O)Nc2ccccn2)=C(O)c2ccccc2S1(=O)=O;QYSPLQLAKJAUJT-UHFFFAOYSA-N;331.35;1.58;54676228;DB00554;;CHEMBL527;BBB;EPAM;25;0;"<a href=https://www.ebi.ac.uk/chembl/assay_report_card/CHEMBL3826717/  target=_blank>CHEMBL3826717</a>";;;;;;;;;-5.77;;;;;;;;;;;;"Wang J, Wang ZM, Li XM, Li F, Wu JJ, Kong LY, Wang XB.: Synthesis and evaluation of multi-target-directed ligands for the treatment of Alzheimer's disease based on the fusion of donepezil and melatonin. Bioorg Med Chem, Volume 24 (18), 2016";ChEMBL
Piroxicam;MM00682;CN1C(C(=O)Nc2ccccn2)=C(O)c2ccccc2S1(=O)=O;QYSPLQLAKJAUJT-UHFFFAOYSA-N;331.35;1.58;54676228;DB00554;;CHEMBL527;BBB;EPAM;25;0;"<a href=https://www.ebi.ac.uk/chembl/assay_report_card/CHEMBL3863409/  target=_blank>CHEMBL3863409</a>";;;;;;;;;-5.85;;;;;;;;;;;;"Wang Z, Wu J, Yang X, Cai P, Liu Q, Wang KDG, Kong L, Wang X.: Neuroprotective effects of benzyloxy substituted small molecule monoamine oxidase B inhibitors in Parkinson's disease. Bioorg Med Chem, Volume 24 (22), 2016";ChEMBL
Piroxicam;MM00682;CN1C(C(=O)Nc2ccccn2)=C(O)c2ccccc2S1(=O)=O;QYSPLQLAKJAUJT-UHFFFAOYSA-N;331.35;1.58;54676228;DB00554;;CHEMBL527;BBB;EPAM;25;0;"<a href=https://www.ebi.ac.uk/chembl/assay_report_card/CHEMBL3863410/  target=_blank>CHEMBL3863410</a>";;;;;;;;;-5.6;;;;;;;;;;;;"Wang Z, Wu J, Yang X, Cai P, Liu Q, Wang KDG, Kong L, Wang X.: Neuroprotective effects of benzyloxy substituted small molecule monoamine oxidase B inhibitors in Parkinson's disease. Bioorg Med Chem, Volume 24 (22), 2016";ChEMBL
Piroxicam;MM00682;CN1C(C(=O)Nc2ccccn2)=C(O)c2ccccc2S1(=O)=O;QYSPLQLAKJAUJT-UHFFFAOYSA-N;331.35;1.58;54676228;DB00554;;CHEMBL527;BBB;EPAM;25;0;"<a href=https://www.ebi.ac.uk/chembl/assay_report_card/CHEMBL4035435/  target=_blank>CHEMBL4035435</a>";;;;;;;;;-6.14;;;;;;;;;;;;"Sang Z, Pan W, Wang K, Ma Q, Yu L, Liu W.: Design, synthesis and biological evaluation of 3,4-dihydro-2(1H)-quinoline-O-alkylamine derivatives as new multipotent cholinesterase/monoamine oxidase inhibitors for the treatment of Alzheimer's disease. Bioorg Med Chem, Volume 25 (12), 2017";ChEMBL
Piroxicam;MM00682;CN1C(C(=O)Nc2ccccn2)=C(O)c2ccccc2S1(=O)=O;QYSPLQLAKJAUJT-UHFFFAOYSA-N;331.35;1.58;54676228;DB00554;;CHEMBL527;BBB;EPAM;25;0;"<a href=https://www.ebi.ac.uk/chembl/assay_report_card/CHEMBL4179547/  target=_blank>CHEMBL4179547</a>";;;;;;;;;-5.74;;;;;;;;;;;;"Yang HL, Cai P, Liu QH, Yang XL, Fang SQ, Tang YW, Wang C, Wang XB, Kong LY.: Design, synthesis, and evaluation of salicyladimine derivatives as multitarget-directed ligands against Alzheimer's disease. Bioorg Med Chem, Volume 25 (21), 2017";ChEMBL
Piroxicam;MM00682;CN1C(C(=O)Nc2ccccn2)=C(O)c2ccccc2S1(=O)=O;QYSPLQLAKJAUJT-UHFFFAOYSA-N;331.35;1.58;54676228;DB00554;;CHEMBL527;BBB;EPAM;25;0;"<a href=https://www.ebi.ac.uk/chembl/assay_report_card/CHEMBL4188381/  target=_blank>CHEMBL4188381</a>";;;;;;;;;-5.6;;;;;;;;;;;;"Cao Z, Yang J, Xu R, Song Q, Zhang X, Liu H, Qiang X, Li Y, Tan Z, Deng Y.: Design, synthesis and evaluation of 4'-OH-flurbiprofen-chalcone hybrids as potential multifunctional agents for Alzheimer's disease treatment. Bioorg Med Chem, Volume 26 (5), 2018";ChEMBL
Piroxicam;MM00682;CN1C(C(=O)Nc2ccccn2)=C(O)c2ccccc2S1(=O)=O;QYSPLQLAKJAUJT-UHFFFAOYSA-N;331.35;1.58;54676228;DB00554;;CHEMBL527;BBB;EPAM;25;0;"<a href=https://www.ebi.ac.uk/chembl/assay_report_card/CHEMBL4188382/  target=_blank>CHEMBL4188382</a>";;;;;;;;;-6.08;;;;;;;;;;;;"Cao Z, Yang J, Xu R, Song Q, Zhang X, Liu H, Qiang X, Li Y, Tan Z, Deng Y.: Design, synthesis and evaluation of 4'-OH-flurbiprofen-chalcone hybrids as potential multifunctional agents for Alzheimer's disease treatment. Bioorg Med Chem, Volume 26 (5), 2018";ChEMBL
Piroxicam;MM00682;CN1C(C(=O)Nc2ccccn2)=C(O)c2ccccc2S1(=O)=O;QYSPLQLAKJAUJT-UHFFFAOYSA-N;331.35;1.58;54676228;DB00554;;CHEMBL527;BBB;EPAM;25;0;"<a href=https://www.ebi.ac.uk/chembl/assay_report_card/CHEMBL4221603/  target=_blank>CHEMBL4221603</a>";;;;;;;;;-6.14;;;;;;;;;;;;"Xu R, Xiao G, Li Y, Liu H, Song Q, Zhang X, Yang Z, Zheng Y, Tan Z, Deng Y.: Multifunctional 5,6-dimethoxybenzo[d]isothiazol-3(2H)-one-N-alkylbenzylamine derivatives with acetylcholinesterase, monoamine oxidases and β-amyloid aggregation inhibitory activities as potential agents against Alzheimer's disease. Bioorg Med Chem, Volume 26 (8), 2018";ChEMBL
Piroxicam;MM00682;CN1C(C(=O)Nc2ccccn2)=C(O)c2ccccc2S1(=O)=O;QYSPLQLAKJAUJT-UHFFFAOYSA-N;331.35;1.58;54676228;DB00554;;CHEMBL527;BBB;EPAM;25;0;"<a href=https://www.ebi.ac.uk/chembl/assay_report_card/CHEMBL4221605/  target=_blank>CHEMBL4221605</a>";;;;;;;;;-5.6;;;;;;;;;;;;"Xu R, Xiao G, Li Y, Liu H, Song Q, Zhang X, Yang Z, Zheng Y, Tan Z, Deng Y.: Multifunctional 5,6-dimethoxybenzo[d]isothiazol-3(2H)-one-N-alkylbenzylamine derivatives with acetylcholinesterase, monoamine oxidases and β-amyloid aggregation inhibitory activities as potential agents against Alzheimer's disease. Bioorg Med Chem, Volume 26 (8), 2018";ChEMBL
Piroxicam;MM00682;CN1C(C(=O)Nc2ccccn2)=C(O)c2ccccc2S1(=O)=O;QYSPLQLAKJAUJT-UHFFFAOYSA-N;331.35;1.58;54676228;DB00554;;CHEMBL527;BBB;EPAM;25;0;"<a href=https://www.ebi.ac.uk/chembl/assay_report_card/CHEMBL3796842/  target=_blank>CHEMBL3796842</a>";;;;;;;;;-6.2;;;;;;;;;;;;"Pan W, Hu K, Bai P, Yu L, Ma Q, Li T, Zhang X, Chen C, Peng K, Liu W, Sang Z.: Design, synthesis and evaluation of novel ferulic acid-memoquin hybrids as potential multifunctional agents for the treatment of Alzheimer's disease. Bioorg Med Chem Lett, Volume 26 (10), 2016";ChEMBL
Piroxicam;MM00682;CN1C(C(=O)Nc2ccccn2)=C(O)c2ccccc2S1(=O)=O;QYSPLQLAKJAUJT-UHFFFAOYSA-N;331.35;1.58;54676228;DB00554;;CHEMBL527;BBB;EPAM;25;0;"<a href=https://www.ebi.ac.uk/chembl/assay_report_card/CHEMBL4048094/  target=_blank>CHEMBL4048094</a>";;;;;;;;;-6.14;;;;;;;;;;;;"Sang Z, Wang K, Wang H, Yu L, Wang H, Ma Q, Ye M, Han X, Liu W.: Design, synthesis and biological evaluation of phthalimide-alkylamine derivatives as balanced multifunctional cholinesterase and monoamine oxidase-B inhibitors for the treatment of Alzheimer's disease. Bioorg Med Chem Lett, Volume 27 (22), 2017";ChEMBL
Piroxicam;MM00682;CN1C(C(=O)Nc2ccccn2)=C(O)c2ccccc2S1(=O)=O;QYSPLQLAKJAUJT-UHFFFAOYSA-N;331.35;1.58;54676228;DB00554;;CHEMBL527;BBB;EPAM;25;0;"<a href=https://www.ebi.ac.uk/chembl/assay_report_card/CHEMBL4122775/  target=_blank>CHEMBL4122775</a>";;;;;;;;;-6.14;;;;;;;;;;;;"Wang T, Tang Y, Yang Y, An Q, Sang Z, Yang T, Liu P, Zhang T, Deng Y, Luo Y.: Discovery of novel anti-tuberculosis agents with pyrrolo[1,2-a]quinoxaline-based scaffold. Bioorg Med Chem Lett, Volume 28 (11), 2018";ChEMBL
Piroxicam;MM00682;CN1C(C(=O)Nc2ccccn2)=C(O)c2ccccc2S1(=O)=O;QYSPLQLAKJAUJT-UHFFFAOYSA-N;331.35;1.58;54676228;DB00554;;CHEMBL527;BBB;EPAM;25;0;"<a href=https://www.ebi.ac.uk/chembl/assay_report_card/CHEMBL4122776/  target=_blank>CHEMBL4122776</a>";;;;;;;;;-5.6;;;;;;;;;;;;"Wang T, Tang Y, Yang Y, An Q, Sang Z, Yang T, Liu P, Zhang T, Deng Y, Luo Y.: Discovery of novel anti-tuberculosis agents with pyrrolo[1,2-a]quinoxaline-based scaffold. Bioorg Med Chem Lett, Volume 28 (11), 2018";ChEMBL
Piroxicam;MM00682;CN1C(C(=O)Nc2ccccn2)=C(O)c2ccccc2S1(=O)=O;QYSPLQLAKJAUJT-UHFFFAOYSA-N;331.35;1.58;54676228;DB00554;;CHEMBL527;BBB;EPAM;25;0;"<a href=https://www.ebi.ac.uk/chembl/assay_report_card/CHEMBL4354765/  target=_blank>CHEMBL4354765</a>";;;;;;;;;-6.14;;;;;;;;;;;;"Zhu G, Wang K, Shi J, Zhang P, Yang D, Fan X, Zhang Z, Liu W, Sang Z.: The development of 2-acetylphenol-donepezil hybrids as multifunctional agents for the treatment of Alzheimer's disease. Bioorg Med Chem Lett, Volume 29 (19), 2019";ChEMBL
Piroxicam;MM00682;CN1C(C(=O)Nc2ccccn2)=C(O)c2ccccc2S1(=O)=O;QYSPLQLAKJAUJT-UHFFFAOYSA-N;331.35;1.58;54676228;DB00554;;CHEMBL527;BBB;EPAM;25;0;"<a href=https://www.ebi.ac.uk/chembl/assay_report_card/CHEMBL4354771/  target=_blank>CHEMBL4354771</a>";;;;;;;;;-5.6;;;;;;;;;;;;"Zhu G, Wang K, Shi J, Zhang P, Yang D, Fan X, Zhang Z, Liu W, Sang Z.: The development of 2-acetylphenol-donepezil hybrids as multifunctional agents for the treatment of Alzheimer's disease. Bioorg Med Chem Lett, Volume 29 (19), 2019";ChEMBL
Piroxicam;MM00682;CN1C(C(=O)Nc2ccccn2)=C(O)c2ccccc2S1(=O)=O;QYSPLQLAKJAUJT-UHFFFAOYSA-N;331.35;1.58;54676228;DB00554;;CHEMBL527;BBB;EPAM;25;0;"<a href=https://www.ebi.ac.uk/chembl/assay_report_card/CHEMBL1929957/  target=_blank>CHEMBL1929957</a>";;;;;;;;;-5.74;;;;;;;;;;;;"Redondo M, Zarruk JG, Ceballos P, Pérez DI, Pérez C, Perez-Castillo A, Moro MA, Brea J, Val C, Cadavid MI, Loza MI, Campillo NE, Martínez A, Gil C.: Neuroprotective efficacy of quinazoline type phosphodiesterase 7 inhibitors in cellular cultures and experimental stroke model. Eur J Med Chem, Volume 47 (1), 2012";ChEMBL
Piroxicam;MM00682;CN1C(C(=O)Nc2ccccn2)=C(O)c2ccccc2S1(=O)=O;QYSPLQLAKJAUJT-UHFFFAOYSA-N;331.35;1.58;54676228;DB00554;;CHEMBL527;BBB;EPAM;25;0;"<a href=https://www.ebi.ac.uk/chembl/assay_report_card/CHEMBL3123849/  target=_blank>CHEMBL3123849</a>";;;;;;;;;-5.77;;;;;;;;;;;;"Di Pietro O, Viayna E, Vicente-García E, Bartolini M, Ramón R, Juárez-Jiménez J, Clos MV, Pérez B, Andrisano V, Luque FJ, Lavilla R, Muñoz-Torrero D.: 1,2,3,4-Tetrahydrobenzo[h][1,6]naphthyridines as a new family of potent peripheral-to-midgorge-site inhibitors of acetylcholinesterase: synthesis, pharmacological evaluation and mechanistic studies. Eur J Med Chem, Volume 73, 2014";ChEMBL
Piroxicam;MM00682;CN1C(C(=O)Nc2ccccn2)=C(O)c2ccccc2S1(=O)=O;QYSPLQLAKJAUJT-UHFFFAOYSA-N;331.35;1.58;54676228;DB00554;;CHEMBL527;BBB;EPAM;25;0;"<a href=https://www.ebi.ac.uk/chembl/assay_report_card/CHEMBL3372306/  target=_blank>CHEMBL3372306</a>";;;;;;;;;-6.62;;;;;;;;;;;;"Huang L, Miao H, Sun Y, Meng F, Li X.: Discovery of indanone derivatives as multi-target-directed ligands against Alzheimer's disease. Eur J Med Chem, Volume 87, 2014";ChEMBL
Piroxicam;MM00682;CN1C(C(=O)Nc2ccccn2)=C(O)c2ccccc2S1(=O)=O;QYSPLQLAKJAUJT-UHFFFAOYSA-N;331.35;1.58;54676228;DB00554;;CHEMBL527;BBB;EPAM;25;0;"<a href=https://www.ebi.ac.uk/chembl/assay_report_card/CHEMBL4011777/  target=_blank>CHEMBL4011777</a>";;;;;;;;;-6.14;;;;;;;;;;;;"Sang Z, Pan W, Wang K, Ma Q, Yu L, Yang Y, Bai P, Leng C, Xu Q, Li X, Tan Z, Liu W.: Design, synthesis and evaluation of novel ferulic acid-O-alkylamine derivatives as potential multifunctional agents for the treatment of Alzheimer's disease. Eur J Med Chem, Volume 130, 2017";ChEMBL
Piroxicam;MM00682;CN1C(C(=O)Nc2ccccn2)=C(O)c2ccccc2S1(=O)=O;QYSPLQLAKJAUJT-UHFFFAOYSA-N;331.35;1.58;54676228;DB00554;;CHEMBL527;BBB;EPAM;25;0;"<a href=https://www.ebi.ac.uk/chembl/assay_report_card/CHEMBL4193311/  target=_blank>CHEMBL4193311</a>";;;;;;;;;-5.73;;;;;;;;;;;;"Lan JS, Ding Y, Liu Y, Kang P, Hou JW, Zhang XY, Xie SS, Zhang T.: Design, synthesis and biological evaluation of novel coumarin-N-benzyl pyridinium hybrids as multi-target agents for the treatment of Alzheimer's disease. Eur J Med Chem, Volume 139, 2017";ChEMBL
Piroxicam;MM00682;CN1C(C(=O)Nc2ccccn2)=C(O)c2ccccc2S1(=O)=O;QYSPLQLAKJAUJT-UHFFFAOYSA-N;331.35;1.58;54676228;DB00554;;CHEMBL527;BBB;EPAM;25;0;"<a href=https://www.ebi.ac.uk/chembl/assay_report_card/CHEMBL4193312/  target=_blank>CHEMBL4193312</a>";;;;;;;;;-5.6;;;;;;;;;;;;"Lan JS, Ding Y, Liu Y, Kang P, Hou JW, Zhang XY, Xie SS, Zhang T.: Design, synthesis and biological evaluation of novel coumarin-N-benzyl pyridinium hybrids as multi-target agents for the treatment of Alzheimer's disease. Eur J Med Chem, Volume 139, 2017";ChEMBL
Piroxicam;MM00682;CN1C(C(=O)Nc2ccccn2)=C(O)c2ccccc2S1(=O)=O;QYSPLQLAKJAUJT-UHFFFAOYSA-N;331.35;1.58;54676228;DB00554;;CHEMBL527;BBB;EPAM;25;0;"<a href=https://www.ebi.ac.uk/chembl/assay_report_card/CHEMBL4193463/  target=_blank>CHEMBL4193463</a>";;;;;;;;;-5.48;;;;;;;;;;;;"Wang J, Cai P, Yang XL, Li F, Wu JJ, Kong LY, Wang XB.: Novel cinnamamide-dibenzylamine hybrids: Potent neurogenic agents with antioxidant, cholinergic, and neuroprotective properties as innovative drugs for Alzheimer's disease. Eur J Med Chem, Volume 139, 2017";ChEMBL
Piroxicam;MM00682;CN1C(C(=O)Nc2ccccn2)=C(O)c2ccccc2S1(=O)=O;QYSPLQLAKJAUJT-UHFFFAOYSA-N;331.35;1.58;54676228;DB00554;;CHEMBL527;BBB;EPAM;25;0;"<a href=https://www.ebi.ac.uk/chembl/assay_report_card/CHEMBL4142614/  target=_blank>CHEMBL4142614</a>";;;;;;;;;-6.32;;;;;;;;;;;;"Xu YX, Wang H, Li XK, Dong SN, Liu WW, Gong Q, Wang TD, Tang Y, Zhu J, Li J, Zhang HY, Mao F.: Discovery of novel propargylamine-modified 4-aminoalkyl imidazole substituted pyrimidinylthiourea derivatives as multifunctional agents for the treatment of Alzheimer's disease. Eur J Med Chem, Volume 143, 2018";ChEMBL
Piroxicam;MM00682;CN1C(C(=O)Nc2ccccn2)=C(O)c2ccccc2S1(=O)=O;QYSPLQLAKJAUJT-UHFFFAOYSA-N;331.35;1.58;54676228;DB00554;;CHEMBL527;BBB;EPAM;25;0;"<a href=https://www.ebi.ac.uk/chembl/assay_report_card/CHEMBL4268507/  target=_blank>CHEMBL4268507</a>";;;;;;;;;-5.68;;;;;;;;;;;;"Reis J, Cagide F, Valencia ME, Teixeira J, Bagetta D, Pérez C, Uriarte E, Oliveira PJ, Ortuso F, Alcaro S, Rodríguez-Franco MI, Borges F.: Multi-target-directed ligands for Alzheimer's disease: Discovery of chromone-based monoamine oxidase/cholinesterase inhibitors. Eur J Med Chem, Volume 158, 2018";ChEMBL
Piroxicam;MM00682;CN1C(C(=O)Nc2ccccn2)=C(O)c2ccccc2S1(=O)=O;QYSPLQLAKJAUJT-UHFFFAOYSA-N;331.35;1.58;54676228;DB00554;;CHEMBL527;BBB;EPAM;25;0;"<a href=https://www.ebi.ac.uk/chembl/assay_report_card/CHEMBL4268508/  target=_blank>CHEMBL4268508</a>";;;;;;;;;-5.6;;;;;;;;;;;;"Reis J, Cagide F, Valencia ME, Teixeira J, Bagetta D, Pérez C, Uriarte E, Oliveira PJ, Ortuso F, Alcaro S, Rodríguez-Franco MI, Borges F.: Multi-target-directed ligands for Alzheimer's disease: Discovery of chromone-based monoamine oxidase/cholinesterase inhibitors. Eur J Med Chem, Volume 158, 2018";ChEMBL
Piroxicam;MM00682;CN1C(C(=O)Nc2ccccn2)=C(O)c2ccccc2S1(=O)=O;QYSPLQLAKJAUJT-UHFFFAOYSA-N;331.35;1.58;54676228;DB00554;;CHEMBL527;BBB;EPAM;25;0;"<a href=https://www.ebi.ac.uk/chembl/assay_report_card/CHEMBL4331636/  target=_blank>CHEMBL4331636</a>";;;;;;;;;-5.45;;;;;;;;;;;;"Tang YW, Shi CJ, Yang HL, Cai P, Liu QH, Yang XL, Kong LY, Wang XB.: Synthesis and evaluation of isoprenylation-resveratrol dimer derivatives against Alzheimer's disease. Eur J Med Chem, Volume 163, 2019";ChEMBL
Piroxicam;MM00682;CN1C(C(=O)Nc2ccccn2)=C(O)c2ccccc2S1(=O)=O;QYSPLQLAKJAUJT-UHFFFAOYSA-N;331.35;1.58;54676228;DB00554;;CHEMBL527;BBB;EPAM;25;0;"<a href=https://www.ebi.ac.uk/chembl/assay_report_card/CHEMBL4331637/  target=_blank>CHEMBL4331637</a>";;;;;;;;;-5.6;;;;;;;;;;;;"Tang YW, Shi CJ, Yang HL, Cai P, Liu QH, Yang XL, Kong LY, Wang XB.: Synthesis and evaluation of isoprenylation-resveratrol dimer derivatives against Alzheimer's disease. Eur J Med Chem, Volume 163, 2019";ChEMBL
Piroxicam;MM00682;CN1C(C(=O)Nc2ccccn2)=C(O)c2ccccc2S1(=O)=O;QYSPLQLAKJAUJT-UHFFFAOYSA-N;331.35;1.58;54676228;DB00554;;CHEMBL527;BBB;EPAM;25;0;"<a href=https://www.ebi.ac.uk/chembl/assay_report_card/CHEMBL4307308/  target=_blank>CHEMBL4307308</a>";;;;;;;;;-5.68;;;;;;;;;;;;"Pérez-Areales FJ, Turcu AL, Barniol-Xicota M, Pont C, Pivetta D, Espargaró A, Bartolini M, De Simone A, Andrisano V, Pérez B, Sabate R, Sureda FX, Vázquez S, Muñoz-Torrero D.: A novel class of multitarget anti-Alzheimer benzohomoadamantane‒chlorotacrine hybrids modulating cholinesterases and glutamate NMDA receptors. Eur J Med Chem, Volume 180, 2019";ChEMBL
Piroxicam;MM00682;CN1C(C(=O)Nc2ccccn2)=C(O)c2ccccc2S1(=O)=O;QYSPLQLAKJAUJT-UHFFFAOYSA-N;331.35;1.58;54676228;DB00554;;CHEMBL527;BBB;EPAM;25;0;"<a href=https://www.ebi.ac.uk/chembl/assay_report_card/CHEMBL4307309/  target=_blank>CHEMBL4307309</a>";;;;;;;;;-5.6;;;;;;;;;;;;"Pérez-Areales FJ, Turcu AL, Barniol-Xicota M, Pont C, Pivetta D, Espargaró A, Bartolini M, De Simone A, Andrisano V, Pérez B, Sabate R, Sureda FX, Vázquez S, Muñoz-Torrero D.: A novel class of multitarget anti-Alzheimer benzohomoadamantane‒chlorotacrine hybrids modulating cholinesterases and glutamate NMDA receptors. Eur J Med Chem, Volume 180, 2019";ChEMBL
Piroxicam;MM00682;CN1C(C(=O)Nc2ccccn2)=C(O)c2ccccc2S1(=O)=O;QYSPLQLAKJAUJT-UHFFFAOYSA-N;331.35;1.58;54676228;DB00554;;CHEMBL527;BBB;EPAM;25;0;"<a href=https://www.ebi.ac.uk/chembl/assay_report_card/CHEMBL4314243/  target=_blank>CHEMBL4314243</a>";;;;;;;;;-6.14;;;;;;;;;;;;"Bai P, Wang K, Zhang P, Shi J, Cheng X, Zhang Q, Zheng C, Cheng Y, Yang J, Lu X, Sang Z.: Development of chalcone-O-alkylamine derivatives as multifunctional agents against Alzheimer's disease. Eur J Med Chem, Volume 183, 2019";ChEMBL
Piroxicam;MM00682;CN1C(C(=O)Nc2ccccn2)=C(O)c2ccccc2S1(=O)=O;QYSPLQLAKJAUJT-UHFFFAOYSA-N;331.35;1.58;54676228;DB00554;;CHEMBL527;BBB;EPAM;25;0;"<a href=https://www.ebi.ac.uk/chembl/assay_report_card/CHEMBL4314272/  target=_blank>CHEMBL4314272</a>";;;;;;;;;-5.6;;;;;;;;;;;;"Bai P, Wang K, Zhang P, Shi J, Cheng X, Zhang Q, Zheng C, Cheng Y, Yang J, Lu X, Sang Z.: Development of chalcone-O-alkylamine derivatives as multifunctional agents against Alzheimer's disease. Eur J Med Chem, Volume 183, 2019";ChEMBL
Piroxicam;MM00682;CN1C(C(=O)Nc2ccccn2)=C(O)c2ccccc2S1(=O)=O;QYSPLQLAKJAUJT-UHFFFAOYSA-N;331.35;1.58;54676228;DB00554;;CHEMBL527;BBB;EPAM;25;0;"<a href=https://www.ebi.ac.uk/chembl/assay_report_card/CHEMBL3587320/  target=_blank>CHEMBL3587320</a>";;;;;;;;;-5.6;;;;;;;;;;;;"Cahlíková L, Pérez DI, Štěpánková Š, Chlebek J, Šafratová M, Hošt'álková A, Opletal L.: In Vitro Inhibitory Effects of 8-O-Demethylmaritidine and Undulatine on Acetylcholinesterase and Their Predicted Penetration across the Blood-Brain Barrier. J Nat Prod, Volume 78 (6), 2015";ChEMBL
Piroxicam;MM00682;CN1C(C(=O)Nc2ccccn2)=C(O)c2ccccc2S1(=O)=O;QYSPLQLAKJAUJT-UHFFFAOYSA-N;331.35;1.58;54676228;DB00554;;CHEMBL527;BBB;EPAM;25;0;"<a href=https://www.ebi.ac.uk/chembl/assay_report_card/CHEMBL3587321/  target=_blank>CHEMBL3587321</a>";;;;;;;;;-6.7;;;;;;;;;;;;"Cahlíková L, Pérez DI, Štěpánková Š, Chlebek J, Šafratová M, Hošt'álková A, Opletal L.: In Vitro Inhibitory Effects of 8-O-Demethylmaritidine and Undulatine on Acetylcholinesterase and Their Predicted Penetration across the Blood-Brain Barrier. J Nat Prod, Volume 78 (6), 2015";ChEMBL
Piroxicam;MM00682;CN1C(C(=O)Nc2ccccn2)=C(O)c2ccccc2S1(=O)=O;QYSPLQLAKJAUJT-UHFFFAOYSA-N;331.35;1.58;54676228;DB00554;;CHEMBL527;BBB;EPAM;25;0;"<a href=https://www.ebi.ac.uk/chembl/assay_report_card/CHEMBL1052382/  target=_blank>CHEMBL1052382</a>";;;;;;;;;-5.6;;;;;;;;;;;;"Camps P, Formosa X, Galdeano C, Muñoz-Torrero D, Ramírez L, Gómez E, Isambert N, Lavilla R, Badia A, Clos MV, Bartolini M, Mancini F, Andrisano V, Arce MP, Rodríguez-Franco MI, Huertas O, Dafni T, Luque FJ.: Pyrano[3,2-c]quinoline-6-chlorotacrine hybrids as a novel family of acetylcholinesterase- and beta-amyloid-directed anti-Alzheimer compounds. J Med Chem, Volume 52 (17), 2009";ChEMBL
Piroxicam;MM00682;CN1C(C(=O)Nc2ccccn2)=C(O)c2ccccc2S1(=O)=O;QYSPLQLAKJAUJT-UHFFFAOYSA-N;331.35;1.58;54676228;DB00554;;CHEMBL527;BBB;EPAM;25;0;"<a href=https://www.ebi.ac.uk/chembl/assay_report_card/CHEMBL1052383/  target=_blank>CHEMBL1052383</a>";;;;;;;;;-5.52;;;;;;;;;;;;"Camps P, Formosa X, Galdeano C, Muñoz-Torrero D, Ramírez L, Gómez E, Isambert N, Lavilla R, Badia A, Clos MV, Bartolini M, Mancini F, Andrisano V, Arce MP, Rodríguez-Franco MI, Huertas O, Dafni T, Luque FJ.: Pyrano[3,2-c]quinoline-6-chlorotacrine hybrids as a novel family of acetylcholinesterase- and beta-amyloid-directed anti-Alzheimer compounds. J Med Chem, Volume 52 (17), 2009";ChEMBL
Piroxicam;MM00682;CN1C(C(=O)Nc2ccccn2)=C(O)c2ccccc2S1(=O)=O;QYSPLQLAKJAUJT-UHFFFAOYSA-N;331.35;1.58;54676228;DB00554;;CHEMBL527;BBB;EPAM;25;0;"<a href=https://www.ebi.ac.uk/chembl/assay_report_card/CHEMBL1052384/  target=_blank>CHEMBL1052384</a>";;;;;;;;;-5.6;;;;;;;;;;;;"Camps P, Formosa X, Galdeano C, Muñoz-Torrero D, Ramírez L, Gómez E, Isambert N, Lavilla R, Badia A, Clos MV, Bartolini M, Mancini F, Andrisano V, Arce MP, Rodríguez-Franco MI, Huertas O, Dafni T, Luque FJ.: Pyrano[3,2-c]quinoline-6-chlorotacrine hybrids as a novel family of acetylcholinesterase- and beta-amyloid-directed anti-Alzheimer compounds. J Med Chem, Volume 52 (17), 2009";ChEMBL
Piroxicam;MM00682;CN1C(C(=O)Nc2ccccn2)=C(O)c2ccccc2S1(=O)=O;QYSPLQLAKJAUJT-UHFFFAOYSA-N;331.35;1.58;54676228;DB00554;;CHEMBL527;BBB;EPAM;25;0;"<a href=https://www.ebi.ac.uk/chembl/assay_report_card/CHEMBL3821787/  target=_blank>CHEMBL3821787</a>";;;;;;;;;-5.86;;;;;;;;;;;;10.1039/C6MD00053C;ChEMBL
Piroxicam;MM00682;CN1C(C(=O)Nc2ccccn2)=C(O)c2ccccc2S1(=O)=O;QYSPLQLAKJAUJT-UHFFFAOYSA-N;331.35;1.58;54676228;DB00554;;CHEMBL527;BBB;EPAM;25;0;"<a href=https://www.ebi.ac.uk/chembl/assay_report_card/CHEMBL3821788/  target=_blank>CHEMBL3821788</a>";;;;;;;;;-5.6;;;;;;;;;;;;10.1039/C6MD00053C;ChEMBL
MM471060;MM471060;C=C1C(=O)O[C@H]2[C@H]1CC/C(C)=C/CC[C@@]1(C)O[C@@H]21;KTEXNACQROZXEV-SLXBATTESA-N;248.32;2.76;;;;;BBB;EPAM;25;0;"<a href=https://www.ebi.ac.uk/chembl/assay_report_card/CHEMBL2340727/  target=_blank>CHEMBL2340727</a>";;;;;;;;;-4.58;;;;;;;;;;;;"Könczöl A, Müller J, Földes E, Béni Z, Végh K, Kéry A, Balogh GT, Balogh GT.: Applicability of a blood-brain barrier specific artificial membrane permeability assay at the early stage of natural product-based CNS drug discovery. J Nat Prod, Volume 76 (4), 2013";ChEMBL
Lomefloxacin;MM00764;CCn1cc(C(=O)O)c(=O)c2cc(F)c(N3CCNC(C)C3)c(F)c21;ZEKZLJVOYLTDKK-UHFFFAOYSA-N;351.35;1.8;3948;DB00978;;CHEMBL561;BBB;EPAM;25;0;"<a href=https://www.ebi.ac.uk/chembl/assay_report_card/CHEMBL3366747/  target=_blank>CHEMBL3366747</a>";;;;;;;;;-6.12;;;;;;;;;;;;"Pérez-Areales FJ, Di Pietro O, Espargaró A, Vallverdú-Queralt A, Galdeano C, Ragusa IM, Viayna E, Guillou C, Clos MV, Pérez B, Sabaté R, Lamuela-Raventós RM, Luque FJ, Muñoz-Torrero D.: Shogaol-huprine hybrids: dual antioxidant and anticholinesterase agents with β-amyloid and tau anti-aggregating properties. Bioorg Med Chem, Volume 22 (19), 2014";ChEMBL
Lomefloxacin;MM00764;CCn1cc(C(=O)O)c(=O)c2cc(F)c(N3CCNC(C)C3)c(F)c21;ZEKZLJVOYLTDKK-UHFFFAOYSA-N;351.35;1.8;3948;DB00978;;CHEMBL561;BBB;EPAM;25;0;"<a href=https://www.ebi.ac.uk/chembl/assay_report_card/CHEMBL3863409/  target=_blank>CHEMBL3863409</a>";;;;;;;;;-5.92;;;;;;;;;;;;"Wang Z, Wu J, Yang X, Cai P, Liu Q, Wang KDG, Kong L, Wang X.: Neuroprotective effects of benzyloxy substituted small molecule monoamine oxidase B inhibitors in Parkinson's disease. Bioorg Med Chem, Volume 24 (22), 2016";ChEMBL
Lomefloxacin;MM00764;CCn1cc(C(=O)O)c(=O)c2cc(F)c(N3CCNC(C)C3)c(F)c21;ZEKZLJVOYLTDKK-UHFFFAOYSA-N;351.35;1.8;3948;DB00978;;CHEMBL561;BBB;EPAM;25;0;"<a href=https://www.ebi.ac.uk/chembl/assay_report_card/CHEMBL3863410/  target=_blank>CHEMBL3863410</a>";;;;;;;;;-5.96;;;;;;;;;;;;"Wang Z, Wu J, Yang X, Cai P, Liu Q, Wang KDG, Kong L, Wang X.: Neuroprotective effects of benzyloxy substituted small molecule monoamine oxidase B inhibitors in Parkinson's disease. Bioorg Med Chem, Volume 24 (22), 2016";ChEMBL
Lomefloxacin;MM00764;CCn1cc(C(=O)O)c(=O)c2cc(F)c(N3CCNC(C)C3)c(F)c21;ZEKZLJVOYLTDKK-UHFFFAOYSA-N;351.35;1.8;3948;DB00978;;CHEMBL561;BBB;EPAM;25;0;"<a href=https://www.ebi.ac.uk/chembl/assay_report_card/CHEMBL4055315/  target=_blank>CHEMBL4055315</a>";;;;;;;;;-5.51;;;;;;;;;;;;"Li F, Wu JJ, Wang J, Yang XL, Cai P, Liu QH, Kong LY, Wang XB.: Synthesis and pharmacological evaluation of novel chromone derivatives as balanced multifunctional agents against Alzheimer's disease. Bioorg Med Chem, Volume 25 (14), 2017";ChEMBL
Lomefloxacin;MM00764;CCn1cc(C(=O)O)c(=O)c2cc(F)c(N3CCNC(C)C3)c(F)c21;ZEKZLJVOYLTDKK-UHFFFAOYSA-N;351.35;1.8;3948;DB00978;;CHEMBL561;BBB;EPAM;25;0;"<a href=https://www.ebi.ac.uk/chembl/assay_report_card/CHEMBL4179547/  target=_blank>CHEMBL4179547</a>";;;;;;;;;-5.8;;;;;;;;;;;;"Yang HL, Cai P, Liu QH, Yang XL, Fang SQ, Tang YW, Wang C, Wang XB, Kong LY.: Design, synthesis, and evaluation of salicyladimine derivatives as multitarget-directed ligands against Alzheimer's disease. Bioorg Med Chem, Volume 25 (21), 2017";ChEMBL
Lomefloxacin;MM00764;CCn1cc(C(=O)O)c(=O)c2cc(F)c(N3CCNC(C)C3)c(F)c21;ZEKZLJVOYLTDKK-UHFFFAOYSA-N;351.35;1.8;3948;DB00978;;CHEMBL561;BBB;EPAM;25;0;"<a href=https://www.ebi.ac.uk/chembl/assay_report_card/CHEMBL3796842/  target=_blank>CHEMBL3796842</a>";;;;;;;;;-6.28;;;;;;;;;;;;"Pan W, Hu K, Bai P, Yu L, Ma Q, Li T, Zhang X, Chen C, Peng K, Liu W, Sang Z.: Design, synthesis and evaluation of novel ferulic acid-memoquin hybrids as potential multifunctional agents for the treatment of Alzheimer's disease. Bioorg Med Chem Lett, Volume 26 (10), 2016";ChEMBL
Lomefloxacin;MM00764;CCn1cc(C(=O)O)c(=O)c2cc(F)c(N3CCNC(C)C3)c(F)c21;ZEKZLJVOYLTDKK-UHFFFAOYSA-N;351.35;1.8;3948;DB00978;;CHEMBL561;BBB;EPAM;25;0;"<a href=https://www.ebi.ac.uk/chembl/assay_report_card/CHEMBL3123849/  target=_blank>CHEMBL3123849</a>";;;;;;;;;-6.12;;;;;;;;;;;;"Di Pietro O, Viayna E, Vicente-García E, Bartolini M, Ramón R, Juárez-Jiménez J, Clos MV, Pérez B, Andrisano V, Luque FJ, Lavilla R, Muñoz-Torrero D.: 1,2,3,4-Tetrahydrobenzo[h][1,6]naphthyridines as a new family of potent peripheral-to-midgorge-site inhibitors of acetylcholinesterase: synthesis, pharmacological evaluation and mechanistic studies. Eur J Med Chem, Volume 73, 2014";ChEMBL
Lomefloxacin;MM00764;CCn1cc(C(=O)O)c(=O)c2cc(F)c(N3CCNC(C)C3)c(F)c21;ZEKZLJVOYLTDKK-UHFFFAOYSA-N;351.35;1.8;3948;DB00978;;CHEMBL561;BBB;EPAM;25;0;"<a href=https://www.ebi.ac.uk/chembl/assay_report_card/CHEMBL3372306/  target=_blank>CHEMBL3372306</a>";;;;;;;;;-6.43;;;;;;;;;;;;"Huang L, Miao H, Sun Y, Meng F, Li X.: Discovery of indanone derivatives as multi-target-directed ligands against Alzheimer's disease. Eur J Med Chem, Volume 87, 2014";ChEMBL
Lomefloxacin;MM00764;CCn1cc(C(=O)O)c(=O)c2cc(F)c(N3CCNC(C)C3)c(F)c21;ZEKZLJVOYLTDKK-UHFFFAOYSA-N;351.35;1.8;3948;DB00978;;CHEMBL561;BBB;EPAM;25;0;"<a href=https://www.ebi.ac.uk/chembl/assay_report_card/CHEMBL4034191/  target=_blank>CHEMBL4034191</a>";;;;;;;;;-5.9;;;;;;;;;;;;"Lan JS, Zhang T, Liu Y, Yang J, Xie SS, Liu J, Miao ZY, Ding Y.: Design, synthesis and biological activity of novel donepezil derivatives bearing N-benzyl pyridinium moiety as potent and dual binding site acetylcholinesterase inhibitors. Eur J Med Chem, Volume 133, 2017";ChEMBL
Lomefloxacin;MM00764;CCn1cc(C(=O)O)c(=O)c2cc(F)c(N3CCNC(C)C3)c(F)c21;ZEKZLJVOYLTDKK-UHFFFAOYSA-N;351.35;1.8;3948;DB00978;;CHEMBL561;BBB;EPAM;25;0;"<a href=https://www.ebi.ac.uk/chembl/assay_report_card/CHEMBL4034201/  target=_blank>CHEMBL4034201</a>";;;;;;;;;-5.96;;;;;;;;;;;;"Lan JS, Zhang T, Liu Y, Yang J, Xie SS, Liu J, Miao ZY, Ding Y.: Design, synthesis and biological activity of novel donepezil derivatives bearing N-benzyl pyridinium moiety as potent and dual binding site acetylcholinesterase inhibitors. Eur J Med Chem, Volume 133, 2017";ChEMBL
Lomefloxacin;MM00764;CCn1cc(C(=O)O)c(=O)c2cc(F)c(N3CCNC(C)C3)c(F)c21;ZEKZLJVOYLTDKK-UHFFFAOYSA-N;351.35;1.8;3948;DB00978;;CHEMBL561;BBB;EPAM;25;0;"<a href=https://www.ebi.ac.uk/chembl/assay_report_card/CHEMBL4142614/  target=_blank>CHEMBL4142614</a>";;;;;;;;;-6.28;;;;;;;;;;;;"Xu YX, Wang H, Li XK, Dong SN, Liu WW, Gong Q, Wang TD, Tang Y, Zhu J, Li J, Zhang HY, Mao F.: Discovery of novel propargylamine-modified 4-aminoalkyl imidazole substituted pyrimidinylthiourea derivatives as multifunctional agents for the treatment of Alzheimer's disease. Eur J Med Chem, Volume 143, 2018";ChEMBL
Lomefloxacin;MM00764;CCn1cc(C(=O)O)c(=O)c2cc(F)c(N3CCNC(C)C3)c(F)c21;ZEKZLJVOYLTDKK-UHFFFAOYSA-N;351.35;1.8;3948;DB00978;;CHEMBL561;BBB;EPAM;25;0;"<a href=https://www.ebi.ac.uk/chembl/assay_report_card/CHEMBL4331636/  target=_blank>CHEMBL4331636</a>";;;;;;;;;-5.56;;;;;;;;;;;;"Tang YW, Shi CJ, Yang HL, Cai P, Liu QH, Yang XL, Kong LY, Wang XB.: Synthesis and evaluation of isoprenylation-resveratrol dimer derivatives against Alzheimer's disease. Eur J Med Chem, Volume 163, 2019";ChEMBL
Lomefloxacin;MM00764;CCn1cc(C(=O)O)c(=O)c2cc(F)c(N3CCNC(C)C3)c(F)c21;ZEKZLJVOYLTDKK-UHFFFAOYSA-N;351.35;1.8;3948;DB00978;;CHEMBL561;BBB;EPAM;25;0;"<a href=https://www.ebi.ac.uk/chembl/assay_report_card/CHEMBL4331637/  target=_blank>CHEMBL4331637</a>";;;;;;;;;-5.96;;;;;;;;;;;;"Tang YW, Shi CJ, Yang HL, Cai P, Liu QH, Yang XL, Kong LY, Wang XB.: Synthesis and evaluation of isoprenylation-resveratrol dimer derivatives against Alzheimer's disease. Eur J Med Chem, Volume 163, 2019";ChEMBL
Lomefloxacin;MM00764;CCn1cc(C(=O)O)c(=O)c2cc(F)c(N3CCNC(C)C3)c(F)c21;ZEKZLJVOYLTDKK-UHFFFAOYSA-N;351.35;1.8;3948;DB00978;;CHEMBL561;BBB;EPAM;25;0;"<a href=https://www.ebi.ac.uk/chembl/assay_report_card/CHEMBL4307308/  target=_blank>CHEMBL4307308</a>";;;;;;;;;-6.1;;;;;;;;;;;;"Pérez-Areales FJ, Turcu AL, Barniol-Xicota M, Pont C, Pivetta D, Espargaró A, Bartolini M, De Simone A, Andrisano V, Pérez B, Sabate R, Sureda FX, Vázquez S, Muñoz-Torrero D.: A novel class of multitarget anti-Alzheimer benzohomoadamantane‒chlorotacrine hybrids modulating cholinesterases and glutamate NMDA receptors. Eur J Med Chem, Volume 180, 2019";ChEMBL
Lomefloxacin;MM00764;CCn1cc(C(=O)O)c(=O)c2cc(F)c(N3CCNC(C)C3)c(F)c21;ZEKZLJVOYLTDKK-UHFFFAOYSA-N;351.35;1.8;3948;DB00978;;CHEMBL561;BBB;EPAM;25;0;"<a href=https://www.ebi.ac.uk/chembl/assay_report_card/CHEMBL4307309/  target=_blank>CHEMBL4307309</a>";;;;;;;;;-5.96;;;;;;;;;;;;"Pérez-Areales FJ, Turcu AL, Barniol-Xicota M, Pont C, Pivetta D, Espargaró A, Bartolini M, De Simone A, Andrisano V, Pérez B, Sabate R, Sureda FX, Vázquez S, Muñoz-Torrero D.: A novel class of multitarget anti-Alzheimer benzohomoadamantane‒chlorotacrine hybrids modulating cholinesterases and glutamate NMDA receptors. Eur J Med Chem, Volume 180, 2019";ChEMBL
Lomefloxacin;MM00764;CCn1cc(C(=O)O)c(=O)c2cc(F)c(N3CCNC(C)C3)c(F)c21;ZEKZLJVOYLTDKK-UHFFFAOYSA-N;351.35;1.8;3948;DB00978;;CHEMBL561;BBB;EPAM;25;0;"<a href=https://www.ebi.ac.uk/chembl/assay_report_card/CHEMBL1052382/  target=_blank>CHEMBL1052382</a>";;;;;;;;;-5.96;;;;;;;;;;;;"Camps P, Formosa X, Galdeano C, Muñoz-Torrero D, Ramírez L, Gómez E, Isambert N, Lavilla R, Badia A, Clos MV, Bartolini M, Mancini F, Andrisano V, Arce MP, Rodríguez-Franco MI, Huertas O, Dafni T, Luque FJ.: Pyrano[3,2-c]quinoline-6-chlorotacrine hybrids as a novel family of acetylcholinesterase- and beta-amyloid-directed anti-Alzheimer compounds. J Med Chem, Volume 52 (17), 2009";ChEMBL
Lomefloxacin;MM00764;CCn1cc(C(=O)O)c(=O)c2cc(F)c(N3CCNC(C)C3)c(F)c21;ZEKZLJVOYLTDKK-UHFFFAOYSA-N;351.35;1.8;3948;DB00978;;CHEMBL561;BBB;EPAM;25;0;"<a href=https://www.ebi.ac.uk/chembl/assay_report_card/CHEMBL1052383/  target=_blank>CHEMBL1052383</a>";;;;;;;;;-5.55;;;;;;;;;;;;"Camps P, Formosa X, Galdeano C, Muñoz-Torrero D, Ramírez L, Gómez E, Isambert N, Lavilla R, Badia A, Clos MV, Bartolini M, Mancini F, Andrisano V, Arce MP, Rodríguez-Franco MI, Huertas O, Dafni T, Luque FJ.: Pyrano[3,2-c]quinoline-6-chlorotacrine hybrids as a novel family of acetylcholinesterase- and beta-amyloid-directed anti-Alzheimer compounds. J Med Chem, Volume 52 (17), 2009";ChEMBL
Promazine;MM00780;CN(C)CCCN1c2ccccc2Sc2ccccc21;ZGUGWUXLJSTTMA-UHFFFAOYSA-N;284.43;4.24;4926;DB00420;P2Z;CHEMBL564;BBB;EPAM;25;0;"<a href=https://www.ebi.ac.uk/chembl/assay_report_card/CHEMBL3366747/  target=_blank>CHEMBL3366747</a>";;;;;;;;;-4.86;;;;;;;;;;;;"Pérez-Areales FJ, Di Pietro O, Espargaró A, Vallverdú-Queralt A, Galdeano C, Ragusa IM, Viayna E, Guillou C, Clos MV, Pérez B, Sabaté R, Lamuela-Raventós RM, Luque FJ, Muñoz-Torrero D.: Shogaol-huprine hybrids: dual antioxidant and anticholinesterase agents with β-amyloid and tau anti-aggregating properties. Bioorg Med Chem, Volume 22 (19), 2014";ChEMBL
Promazine;MM00780;CN(C)CCCN1c2ccccc2Sc2ccccc21;ZGUGWUXLJSTTMA-UHFFFAOYSA-N;284.43;4.24;4926;DB00420;P2Z;CHEMBL564;BBB;EPAM;25;0;"<a href=https://www.ebi.ac.uk/chembl/assay_report_card/CHEMBL1929957/  target=_blank>CHEMBL1929957</a>";;;;;;;;;-5.11;;;;;;;;;;;;"Redondo M, Zarruk JG, Ceballos P, Pérez DI, Pérez C, Perez-Castillo A, Moro MA, Brea J, Val C, Cadavid MI, Loza MI, Campillo NE, Martínez A, Gil C.: Neuroprotective efficacy of quinazoline type phosphodiesterase 7 inhibitors in cellular cultures and experimental stroke model. Eur J Med Chem, Volume 47 (1), 2012";ChEMBL
Promazine;MM00780;CN(C)CCCN1c2ccccc2Sc2ccccc21;ZGUGWUXLJSTTMA-UHFFFAOYSA-N;284.43;4.24;4926;DB00420;P2Z;CHEMBL564;BBB;EPAM;25;0;"<a href=https://www.ebi.ac.uk/chembl/assay_report_card/CHEMBL3123849/  target=_blank>CHEMBL3123849</a>";;;;;;;;;-5.06;;;;;;;;;;;;"Di Pietro O, Viayna E, Vicente-García E, Bartolini M, Ramón R, Juárez-Jiménez J, Clos MV, Pérez B, Andrisano V, Luque FJ, Lavilla R, Muñoz-Torrero D.: 1,2,3,4-Tetrahydrobenzo[h][1,6]naphthyridines as a new family of potent peripheral-to-midgorge-site inhibitors of acetylcholinesterase: synthesis, pharmacological evaluation and mechanistic studies. Eur J Med Chem, Volume 73, 2014";ChEMBL
Promazine;MM00780;CN(C)CCCN1c2ccccc2Sc2ccccc21;ZGUGWUXLJSTTMA-UHFFFAOYSA-N;284.43;4.24;4926;DB00420;P2Z;CHEMBL564;BBB;EPAM;25;0;"<a href=https://www.ebi.ac.uk/chembl/assay_report_card/CHEMBL3372306/  target=_blank>CHEMBL3372306</a>";;;;;;;;;-4.84;;;;;;;;;;;;"Huang L, Miao H, Sun Y, Meng F, Li X.: Discovery of indanone derivatives as multi-target-directed ligands against Alzheimer's disease. Eur J Med Chem, Volume 87, 2014";ChEMBL
Promazine;MM00780;CN(C)CCCN1c2ccccc2Sc2ccccc21;ZGUGWUXLJSTTMA-UHFFFAOYSA-N;284.43;4.24;4926;DB00420;P2Z;CHEMBL564;BBB;EPAM;25;0;"<a href=https://www.ebi.ac.uk/chembl/assay_report_card/CHEMBL4268507/  target=_blank>CHEMBL4268507</a>";;;;;;;;;-4.82;;;;;;;;;;;;"Reis J, Cagide F, Valencia ME, Teixeira J, Bagetta D, Pérez C, Uriarte E, Oliveira PJ, Ortuso F, Alcaro S, Rodríguez-Franco MI, Borges F.: Multi-target-directed ligands for Alzheimer's disease: Discovery of chromone-based monoamine oxidase/cholinesterase inhibitors. Eur J Med Chem, Volume 158, 2018";ChEMBL
Promazine;MM00780;CN(C)CCCN1c2ccccc2Sc2ccccc21;ZGUGWUXLJSTTMA-UHFFFAOYSA-N;284.43;4.24;4926;DB00420;P2Z;CHEMBL564;BBB;EPAM;25;0;"<a href=https://www.ebi.ac.uk/chembl/assay_report_card/CHEMBL4268508/  target=_blank>CHEMBL4268508</a>";;;;;;;;;-5.06;;;;;;;;;;;;"Reis J, Cagide F, Valencia ME, Teixeira J, Bagetta D, Pérez C, Uriarte E, Oliveira PJ, Ortuso F, Alcaro S, Rodríguez-Franco MI, Borges F.: Multi-target-directed ligands for Alzheimer's disease: Discovery of chromone-based monoamine oxidase/cholinesterase inhibitors. Eur J Med Chem, Volume 158, 2018";ChEMBL
Promazine;MM00780;CN(C)CCCN1c2ccccc2Sc2ccccc21;ZGUGWUXLJSTTMA-UHFFFAOYSA-N;284.43;4.24;4926;DB00420;P2Z;CHEMBL564;BBB;EPAM;25;0;"<a href=https://www.ebi.ac.uk/chembl/assay_report_card/CHEMBL4307308/  target=_blank>CHEMBL4307308</a>";;;;;;;;;-4.86;;;;;;;;;;;;"Pérez-Areales FJ, Turcu AL, Barniol-Xicota M, Pont C, Pivetta D, Espargaró A, Bartolini M, De Simone A, Andrisano V, Pérez B, Sabate R, Sureda FX, Vázquez S, Muñoz-Torrero D.: A novel class of multitarget anti-Alzheimer benzohomoadamantane‒chlorotacrine hybrids modulating cholinesterases and glutamate NMDA receptors. Eur J Med Chem, Volume 180, 2019";ChEMBL
Promazine;MM00780;CN(C)CCCN1c2ccccc2Sc2ccccc21;ZGUGWUXLJSTTMA-UHFFFAOYSA-N;284.43;4.24;4926;DB00420;P2Z;CHEMBL564;BBB;EPAM;25;0;"<a href=https://www.ebi.ac.uk/chembl/assay_report_card/CHEMBL4307309/  target=_blank>CHEMBL4307309</a>";;;;;;;;;-5.06;;;;;;;;;;;;"Pérez-Areales FJ, Turcu AL, Barniol-Xicota M, Pont C, Pivetta D, Espargaró A, Bartolini M, De Simone A, Andrisano V, Pérez B, Sabate R, Sureda FX, Vázquez S, Muñoz-Torrero D.: A novel class of multitarget anti-Alzheimer benzohomoadamantane‒chlorotacrine hybrids modulating cholinesterases and glutamate NMDA receptors. Eur J Med Chem, Volume 180, 2019";ChEMBL
Promazine;MM00780;CN(C)CCCN1c2ccccc2Sc2ccccc21;ZGUGWUXLJSTTMA-UHFFFAOYSA-N;284.43;4.24;4926;DB00420;P2Z;CHEMBL564;BBB;EPAM;25;0;"<a href=https://www.ebi.ac.uk/chembl/assay_report_card/CHEMBL3587320/  target=_blank>CHEMBL3587320</a>";;;;;;;;;-5.06;;;;;;;;;;;;"Cahlíková L, Pérez DI, Štěpánková Š, Chlebek J, Šafratová M, Hošt'álková A, Opletal L.: In Vitro Inhibitory Effects of 8-O-Demethylmaritidine and Undulatine on Acetylcholinesterase and Their Predicted Penetration across the Blood-Brain Barrier. J Nat Prod, Volume 78 (6), 2015";ChEMBL
Promazine;MM00780;CN(C)CCCN1c2ccccc2Sc2ccccc21;ZGUGWUXLJSTTMA-UHFFFAOYSA-N;284.43;4.24;4926;DB00420;P2Z;CHEMBL564;BBB;EPAM;25;0;"<a href=https://www.ebi.ac.uk/chembl/assay_report_card/CHEMBL3587321/  target=_blank>CHEMBL3587321</a>";;;;;;;;;-4.88;;;;;;;;;;;;"Cahlíková L, Pérez DI, Štěpánková Š, Chlebek J, Šafratová M, Hošt'álková A, Opletal L.: In Vitro Inhibitory Effects of 8-O-Demethylmaritidine and Undulatine on Acetylcholinesterase and Their Predicted Penetration across the Blood-Brain Barrier. J Nat Prod, Volume 78 (6), 2015";ChEMBL
Promazine;MM00780;CN(C)CCCN1c2ccccc2Sc2ccccc21;ZGUGWUXLJSTTMA-UHFFFAOYSA-N;284.43;4.24;4926;DB00420;P2Z;CHEMBL564;BBB;EPAM;25;0;"<a href=https://www.ebi.ac.uk/chembl/assay_report_card/CHEMBL1052382/  target=_blank>CHEMBL1052382</a>";;;;;;;;;-5.06;;;;;;;;;;;;"Camps P, Formosa X, Galdeano C, Muñoz-Torrero D, Ramírez L, Gómez E, Isambert N, Lavilla R, Badia A, Clos MV, Bartolini M, Mancini F, Andrisano V, Arce MP, Rodríguez-Franco MI, Huertas O, Dafni T, Luque FJ.: Pyrano[3,2-c]quinoline-6-chlorotacrine hybrids as a novel family of acetylcholinesterase- and beta-amyloid-directed anti-Alzheimer compounds. J Med Chem, Volume 52 (17), 2009";ChEMBL
Promazine;MM00780;CN(C)CCCN1c2ccccc2Sc2ccccc21;ZGUGWUXLJSTTMA-UHFFFAOYSA-N;284.43;4.24;4926;DB00420;P2Z;CHEMBL564;BBB;EPAM;25;0;"<a href=https://www.ebi.ac.uk/chembl/assay_report_card/CHEMBL1052383/  target=_blank>CHEMBL1052383</a>";;;;;;;;;-4.65;;;;;;;;;;;;"Camps P, Formosa X, Galdeano C, Muñoz-Torrero D, Ramírez L, Gómez E, Isambert N, Lavilla R, Badia A, Clos MV, Bartolini M, Mancini F, Andrisano V, Arce MP, Rodríguez-Franco MI, Huertas O, Dafni T, Luque FJ.: Pyrano[3,2-c]quinoline-6-chlorotacrine hybrids as a novel family of acetylcholinesterase- and beta-amyloid-directed anti-Alzheimer compounds. J Med Chem, Volume 52 (17), 2009";ChEMBL
Promazine;MM00780;CN(C)CCCN1c2ccccc2Sc2ccccc21;ZGUGWUXLJSTTMA-UHFFFAOYSA-N;284.43;4.24;4926;DB00420;P2Z;CHEMBL564;BBB;EPAM;25;0;"<a href=https://www.ebi.ac.uk/chembl/assay_report_card/CHEMBL1052384/  target=_blank>CHEMBL1052384</a>";;;;;;;;;-4.88;;;;;;;;;;;;"Camps P, Formosa X, Galdeano C, Muñoz-Torrero D, Ramírez L, Gómez E, Isambert N, Lavilla R, Badia A, Clos MV, Bartolini M, Mancini F, Andrisano V, Arce MP, Rodríguez-Franco MI, Huertas O, Dafni T, Luque FJ.: Pyrano[3,2-c]quinoline-6-chlorotacrine hybrids as a novel family of acetylcholinesterase- and beta-amyloid-directed anti-Alzheimer compounds. J Med Chem, Volume 52 (17), 2009";ChEMBL
MM471071;MM471071;NC1=NC(c2ccccc2)(c2ccccc2)C2=NCCCN12;UFWSJOVQEPTPNE-UHFFFAOYSA-N;290.37;2.36;11543843;;;CHEMBL582044;BBB;EPAM;25;0;"<a href=https://www.ebi.ac.uk/chembl/assay_report_card/CHEMBL1042920/  target=_blank>CHEMBL1042920</a>";;;;;;;;;-5.07;;;;;;;;;;;;"Nowak P, Cole DC, Aulabaugh A, Bard J, Chopra R, Cowling R, Fan KY, Hu B, Jacobsen S, Jani M, Jin G, Lo MC, Malamas MS, Manas ES, Narasimhan R, Reinhart P, Robichaud AJ, Stock JR, Subrath J, Svenson K, Turner J, Wagner E, Zhou P, Ellingboe JW.: Discovery and initial optimization of 5,5'-disubstituted aminohydantoins as potent beta-secretase (BACE1) inhibitors. Bioorg Med Chem Lett, Volume 20 (2), 2010";ChEMBL
MM471080;MM471080;O=C(c1ccc(Cn2ccc3cccc(Cl)c32)cc1)N1CCC(N2CCCC2)C1;QRZWUPXCLYWBIP-NRFANRHFSA-N;407.95;4.65;24825718;;;CHEMBL589908;BBB;EPAM;25;0;"<a href=https://www.ebi.ac.uk/chembl/assay_report_card/CHEMBL1069494/  target=_blank>CHEMBL1069494</a>";;;;;;;;;-5.15;;;;;;;;;;;;"Cole DC, Gross JL, Comery TA, Aschmies S, Hirst WD, Kelley C, Kim JI, Kubek K, Ning X, Platt BJ, Robichaud AJ, Solvibile WR, Stock JR, Tawa G, Williams MJ, Ellingboe JW.: Benzimidazole- and indole-substituted 1,3'-bipyrrolidine benzamides as histamine H3 receptor antagonists. Bioorg Med Chem Lett, Volume 20 (3), 2010";ChEMBL
L-dopamine;MM00483;NCCc1ccc(O)c(O)c1;VYFYYTLLBUKUHU-UHFFFAOYSA-N;153.18;0.6;681;DB00988;LDP;CHEMBL59;BBB;EPAM;25;0;"<a href=https://www.ebi.ac.uk/chembl/assay_report_card/CHEMBL3826717/  target=_blank>CHEMBL3826717</a>";;;;;;;;;-6.92;;;;;;;;;;;;"Wang J, Wang ZM, Li XM, Li F, Wu JJ, Kong LY, Wang XB.: Synthesis and evaluation of multi-target-directed ligands for the treatment of Alzheimer's disease based on the fusion of donepezil and melatonin. Bioorg Med Chem, Volume 24 (18), 2016";ChEMBL
L-dopamine;MM00483;NCCc1ccc(O)c(O)c1;VYFYYTLLBUKUHU-UHFFFAOYSA-N;153.18;0.6;681;DB00988;LDP;CHEMBL59;BBB;EPAM;25;0;"<a href=https://www.ebi.ac.uk/chembl/assay_report_card/CHEMBL4055315/  target=_blank>CHEMBL4055315</a>";;;;;;;;;-5.88;;;;;;;;;;;;"Li F, Wu JJ, Wang J, Yang XL, Cai P, Liu QH, Kong LY, Wang XB.: Synthesis and pharmacological evaluation of novel chromone derivatives as balanced multifunctional agents against Alzheimer's disease. Bioorg Med Chem, Volume 25 (14), 2017";ChEMBL
L-dopamine;MM00483;NCCc1ccc(O)c(O)c1;VYFYYTLLBUKUHU-UHFFFAOYSA-N;153.18;0.6;681;DB00988;LDP;CHEMBL59;BBB;EPAM;25;0;"<a href=https://www.ebi.ac.uk/chembl/assay_report_card/CHEMBL4193311/  target=_blank>CHEMBL4193311</a>";;;;;;;;;-6.96;;;;;;;;;;;;"Lan JS, Ding Y, Liu Y, Kang P, Hou JW, Zhang XY, Xie SS, Zhang T.: Design, synthesis and biological evaluation of novel coumarin-N-benzyl pyridinium hybrids as multi-target agents for the treatment of Alzheimer's disease. Eur J Med Chem, Volume 139, 2017";ChEMBL
L-dopamine;MM00483;NCCc1ccc(O)c(O)c1;VYFYYTLLBUKUHU-UHFFFAOYSA-N;153.18;0.6;681;DB00988;LDP;CHEMBL59;BBB;EPAM;25;0;"<a href=https://www.ebi.ac.uk/chembl/assay_report_card/CHEMBL4193312/  target=_blank>CHEMBL4193312</a>";;;;;;;;;-6.7;;;;;;;;;;;;"Lan JS, Ding Y, Liu Y, Kang P, Hou JW, Zhang XY, Xie SS, Zhang T.: Design, synthesis and biological evaluation of novel coumarin-N-benzyl pyridinium hybrids as multi-target agents for the treatment of Alzheimer's disease. Eur J Med Chem, Volume 139, 2017";ChEMBL
L-dopamine;MM00483;NCCc1ccc(O)c(O)c1;VYFYYTLLBUKUHU-UHFFFAOYSA-N;153.18;0.6;681;DB00988;LDP;CHEMBL59;BBB;EPAM;25;0;"<a href=https://www.ebi.ac.uk/chembl/assay_report_card/CHEMBL4193463/  target=_blank>CHEMBL4193463</a>";;;;;;;;;-6.35;;;;;;;;;;;;"Wang J, Cai P, Yang XL, Li F, Wu JJ, Kong LY, Wang XB.: Novel cinnamamide-dibenzylamine hybrids: Potent neurogenic agents with antioxidant, cholinergic, and neuroprotective properties as innovative drugs for Alzheimer's disease. Eur J Med Chem, Volume 139, 2017";ChEMBL
L-dopamine;MM00483;NCCc1ccc(O)c(O)c1;VYFYYTLLBUKUHU-UHFFFAOYSA-N;153.18;0.6;681;DB00988;LDP;CHEMBL59;BBB;EPAM;25;0;"<a href=https://www.ebi.ac.uk/chembl/assay_report_card/CHEMBL4032168/  target=_blank>CHEMBL4032168</a>";;;;;;;;;-6.92;;;;;;;;;;;;"Do HT, Wang HY, Li H, Chreifi G, Poulos TL, Silverman RB.: Improvement of Cell Permeability of Human Neuronal Nitric Oxide Synthase Inhibitors Using Potent and Selective 2-Aminopyridine-Based Scaffolds with a Fluorobenzene Linker. J Med Chem, Volume 60 (22), 2017";ChEMBL
L-dopamine;MM00483;NCCc1ccc(O)c(O)c1;VYFYYTLLBUKUHU-UHFFFAOYSA-N;153.18;0.6;681;DB00988;LDP;CHEMBL59;BBB;EPAM;25;0;"<a href=https://www.ebi.ac.uk/chembl/assay_report_card/CHEMBL4032169/  target=_blank>CHEMBL4032169</a>";;;;;;;;;-6.7;;;;;;;;;;;;"Do HT, Wang HY, Li H, Chreifi G, Poulos TL, Silverman RB.: Improvement of Cell Permeability of Human Neuronal Nitric Oxide Synthase Inhibitors Using Potent and Selective 2-Aminopyridine-Based Scaffolds with a Fluorobenzene Linker. J Med Chem, Volume 60 (22), 2017";ChEMBL
L-dopamine;MM00483;NCCc1ccc(O)c(O)c1;VYFYYTLLBUKUHU-UHFFFAOYSA-N;153.18;0.6;681;DB00988;LDP;CHEMBL59;BBB;EPAM;25;0;"<a href=https://www.ebi.ac.uk/chembl/assay_report_card/CHEMBL3821787/  target=_blank>CHEMBL3821787</a>";;;;;;;;;-6.62;;;;;;;;;;;;10.1039/C6MD00053C;ChEMBL
L-dopamine;MM00483;NCCc1ccc(O)c(O)c1;VYFYYTLLBUKUHU-UHFFFAOYSA-N;153.18;0.6;681;DB00988;LDP;CHEMBL59;BBB;EPAM;25;0;"<a href=https://www.ebi.ac.uk/chembl/assay_report_card/CHEMBL3821788/  target=_blank>CHEMBL3821788</a>";;;;;;;;;-6.7;;;;;;;;;;;;10.1039/C6MD00053C;ChEMBL
MM471081;MM471081;O=C(c1ccc(Cn2ccc3ccc(Cl)cc32)cc1)N1CCC(N2CCCC2)C1;HHPYIWPWLUUFOK-QFIPXVFZSA-N;407.95;4.65;46230692;;;CHEMBL590625;BBB;EPAM;25;0;"<a href=https://www.ebi.ac.uk/chembl/assay_report_card/CHEMBL1069494/  target=_blank>CHEMBL1069494</a>";;;;;;;;;-5.07;;;;;;;;;;;;"Cole DC, Gross JL, Comery TA, Aschmies S, Hirst WD, Kelley C, Kim JI, Kubek K, Ning X, Platt BJ, Robichaud AJ, Solvibile WR, Stock JR, Tawa G, Williams MJ, Ellingboe JW.: Benzimidazole- and indole-substituted 1,3'-bipyrrolidine benzamides as histamine H3 receptor antagonists. Bioorg Med Chem Lett, Volume 20 (3), 2010";ChEMBL
MM471075;MM471075;Cc1ccoc1C(=O)Nc1cccc(C2(C3CCCCC3)N=C(N)N(C)C2=O)c1;CZSNUKITORTJBZ-UHFFFAOYSA-N;394.48;3.4;16051586;;;CHEMBL590830;BBB;EPAM;25;0;"<a href=https://www.ebi.ac.uk/chembl/assay_report_card/CHEMBL1042920/  target=_blank>CHEMBL1042920</a>";;;;;;;;;-4.86;;;;;;;;;;;;"Nowak P, Cole DC, Aulabaugh A, Bard J, Chopra R, Cowling R, Fan KY, Hu B, Jacobsen S, Jani M, Jin G, Lo MC, Malamas MS, Manas ES, Narasimhan R, Reinhart P, Robichaud AJ, Stock JR, Subrath J, Svenson K, Turner J, Wagner E, Zhou P, Ellingboe JW.: Discovery and initial optimization of 5,5'-disubstituted aminohydantoins as potent beta-secretase (BACE1) inhibitors. Bioorg Med Chem Lett, Volume 20 (2), 2010";ChEMBL
MM471076;MM471076;CN(C)C1CCN(C(=O)c2ccc(Cn3c(-c4ccccc4)nc4ccccc43)cc2)C1;UYKJSYAQDGARFD-UHFFFAOYSA-N;424.55;4.53;25032264;;;CHEMBL597879;BBB;EPAM;25;0;"<a href=https://www.ebi.ac.uk/chembl/assay_report_card/CHEMBL1069494/  target=_blank>CHEMBL1069494</a>";;;;;;;;;-5.03;;;;;;;;;;;;"Cole DC, Gross JL, Comery TA, Aschmies S, Hirst WD, Kelley C, Kim JI, Kubek K, Ning X, Platt BJ, Robichaud AJ, Solvibile WR, Stock JR, Tawa G, Williams MJ, Ellingboe JW.: Benzimidazole- and indole-substituted 1,3'-bipyrrolidine benzamides as histamine H3 receptor antagonists. Bioorg Med Chem Lett, Volume 20 (3), 2010";ChEMBL
MM471078;MM471078;Cc1nc2ccccc2n1Cc1ccc(C(=O)N2CCC(N3CCCC3)C2)cc1;KUCJGGHJCKSUBY-NRFANRHFSA-N;388.52;3.7;25031073;;;CHEMBL598979;BBB;EPAM;25;0;"<a href=https://www.ebi.ac.uk/chembl/assay_report_card/CHEMBL1069494/  target=_blank>CHEMBL1069494</a>";;;;;;;;;-5.4;;;;;;;;;;;;"Cole DC, Gross JL, Comery TA, Aschmies S, Hirst WD, Kelley C, Kim JI, Kubek K, Ning X, Platt BJ, Robichaud AJ, Solvibile WR, Stock JR, Tawa G, Williams MJ, Ellingboe JW.: Benzimidazole- and indole-substituted 1,3'-bipyrrolidine benzamides as histamine H3 receptor antagonists. Bioorg Med Chem Lett, Volume 20 (3), 2010";ChEMBL
MM471077;MM471077;O=C(c1ccc(Cn2cnc3ccccc32)cc1)N1CCC(N2CCCC2)C1;NUVVLNOBNYNPKB-FQEVSTJZSA-N;374.49;3.39;46230602;;;CHEMBL599589;BBB;EPAM;25;0;"<a href=https://www.ebi.ac.uk/chembl/assay_report_card/CHEMBL1069494/  target=_blank>CHEMBL1069494</a>";;;;;;;;;-5.43;;;;;;;;;;;;"Cole DC, Gross JL, Comery TA, Aschmies S, Hirst WD, Kelley C, Kim JI, Kubek K, Ning X, Platt BJ, Robichaud AJ, Solvibile WR, Stock JR, Tawa G, Williams MJ, Ellingboe JW.: Benzimidazole- and indole-substituted 1,3'-bipyrrolidine benzamides as histamine H3 receptor antagonists. Bioorg Med Chem Lett, Volume 20 (3), 2010";ChEMBL
MM471082;MM471082;O=C(c1ccc(Cn2ccc3cc(Cl)ccc32)cc1)N1CCC(N2CCCC2)C1;CFVRXCVXEIVWEA-QFIPXVFZSA-N;407.95;4.65;46230693;;;CHEMBL600250;BBB;EPAM;25;0;"<a href=https://www.ebi.ac.uk/chembl/assay_report_card/CHEMBL1069494/  target=_blank>CHEMBL1069494</a>";;;;;;;;;-5.09;;;;;;;;;;;;"Cole DC, Gross JL, Comery TA, Aschmies S, Hirst WD, Kelley C, Kim JI, Kubek K, Ning X, Platt BJ, Robichaud AJ, Solvibile WR, Stock JR, Tawa G, Williams MJ, Ellingboe JW.: Benzimidazole- and indole-substituted 1,3'-bipyrrolidine benzamides as histamine H3 receptor antagonists. Bioorg Med Chem Lett, Volume 20 (3), 2010";ChEMBL
MM471079;MM471079;O=C(c1ccc(Cn2ccc3ccccc32)cc1)N1CCC(N2CCCC2)C1;LRYZIKHXEUKDPW-QFIPXVFZSA-N;373.5;4;46230691;;;CHEMBL602515;BBB;EPAM;25;0;"<a href=https://www.ebi.ac.uk/chembl/assay_report_card/CHEMBL1069494/  target=_blank>CHEMBL1069494</a>";;;;;;;;;-5.03;;;;;;;;;;;;"Cole DC, Gross JL, Comery TA, Aschmies S, Hirst WD, Kelley C, Kim JI, Kubek K, Ning X, Platt BJ, Robichaud AJ, Solvibile WR, Stock JR, Tawa G, Williams MJ, Ellingboe JW.: Benzimidazole- and indole-substituted 1,3'-bipyrrolidine benzamides as histamine H3 receptor antagonists. Bioorg Med Chem Lett, Volume 20 (3), 2010";ChEMBL
MM471058;MM471058;CC=C1CN2C3CC1C1(C(=O)OC)C2CC2(c4ccccc4N(C)C32)C1O;DOUQNGAJTIRQPP-PRDXYIPKSA-N;366.46;1.7;46229135;;;CHEMBL607365;BBB;EPAM;25;0;"<a href=https://www.ebi.ac.uk/chembl/assay_report_card/CHEMBL2340727/  target=_blank>CHEMBL2340727</a>";;;;;;;;;-4.99;;;;;;;;;;;;"Könczöl A, Müller J, Földes E, Béni Z, Végh K, Kéry A, Balogh GT, Balogh GT.: Applicability of a blood-brain barrier specific artificial membrane permeability assay at the early stage of natural product-based CNS drug discovery. J Nat Prod, Volume 76 (4), 2013";ChEMBL
Verapamil;MM00585;COc1ccc(CCN(C)CCCC(C#N)(c2ccc(OC)c(OC)c2)C(C)C)cc1OC;SGTNSNPWRIOYBX-UHFFFAOYSA-N;454.61;5.09;2520;DB00661;;CHEMBL6966;BBB;EPAM;25;0;"<a href=https://www.ebi.ac.uk/chembl/assay_report_card/CHEMBL3366747/  target=_blank>CHEMBL3366747</a>";;;;;;;;;-4.6;;;;;;;;;;;;"Pérez-Areales FJ, Di Pietro O, Espargaró A, Vallverdú-Queralt A, Galdeano C, Ragusa IM, Viayna E, Guillou C, Clos MV, Pérez B, Sabaté R, Lamuela-Raventós RM, Luque FJ, Muñoz-Torrero D.: Shogaol-huprine hybrids: dual antioxidant and anticholinesterase agents with β-amyloid and tau anti-aggregating properties. Bioorg Med Chem, Volume 22 (19), 2014";ChEMBL
Verapamil;MM00585;COc1ccc(CCN(C)CCCC(C#N)(c2ccc(OC)c(OC)c2)C(C)C)cc1OC;SGTNSNPWRIOYBX-UHFFFAOYSA-N;454.61;5.09;2520;DB00661;;CHEMBL6966;BBB;EPAM;25;0;"<a href=https://www.ebi.ac.uk/chembl/assay_report_card/CHEMBL3406583/  target=_blank>CHEMBL3406583</a>";;;;;;;;;-3.5;;;;;;;;;;;;"Więckowska A, Więckowski K, Bajda M, Brus B, Sałat K, Czerwińska P, Gobec S, Filipek B, Malawska B.: Synthesis of new N-benzylpiperidine derivatives as cholinesterase inhibitors with β-amyloid anti-aggregation properties and beneficial effects on memory in vivo. Bioorg Med Chem, Volume 23 (10), 2015";ChEMBL
Verapamil;MM00585;COc1ccc(CCN(C)CCCC(C#N)(c2ccc(OC)c(OC)c2)C(C)C)cc1OC;SGTNSNPWRIOYBX-UHFFFAOYSA-N;454.61;5.09;2520;DB00661;;CHEMBL6966;BBB;EPAM;25;0;"<a href=https://www.ebi.ac.uk/chembl/assay_report_card/CHEMBL3787917/  target=_blank>CHEMBL3787917</a>";;;;;;;;;-4.77;;;;;;;;;;;;"Li Y, Qiang X, Luo L, Li Y, Xiao G, Tan Z, Deng Y.: Synthesis and evaluation of 4-hydroxyl aurone derivatives as multifunctional agents for the treatment of Alzheimer's disease. Bioorg Med Chem, Volume 24 (10), 2016";ChEMBL
Verapamil;MM00585;COc1ccc(CCN(C)CCCC(C#N)(c2ccc(OC)c(OC)c2)C(C)C)cc1OC;SGTNSNPWRIOYBX-UHFFFAOYSA-N;454.61;5.09;2520;DB00661;;CHEMBL6966;BBB;EPAM;25;0;"<a href=https://www.ebi.ac.uk/chembl/assay_report_card/CHEMBL3787919/  target=_blank>CHEMBL3787919</a>";;;;;;;;;-4.8;;;;;;;;;;;;"Li Y, Qiang X, Luo L, Li Y, Xiao G, Tan Z, Deng Y.: Synthesis and evaluation of 4-hydroxyl aurone derivatives as multifunctional agents for the treatment of Alzheimer's disease. Bioorg Med Chem, Volume 24 (10), 2016";ChEMBL
Verapamil;MM00585;COc1ccc(CCN(C)CCCC(C#N)(c2ccc(OC)c(OC)c2)C(C)C)cc1OC;SGTNSNPWRIOYBX-UHFFFAOYSA-N;454.61;5.09;2520;DB00661;;CHEMBL6966;BBB;EPAM;25;0;"<a href=https://www.ebi.ac.uk/chembl/assay_report_card/CHEMBL3826717/  target=_blank>CHEMBL3826717</a>";;;;;;;;;-4.88;;;;;;;;;;;;"Wang J, Wang ZM, Li XM, Li F, Wu JJ, Kong LY, Wang XB.: Synthesis and evaluation of multi-target-directed ligands for the treatment of Alzheimer's disease based on the fusion of donepezil and melatonin. Bioorg Med Chem, Volume 24 (18), 2016";ChEMBL
Verapamil;MM00585;COc1ccc(CCN(C)CCCC(C#N)(c2ccc(OC)c(OC)c2)C(C)C)cc1OC;SGTNSNPWRIOYBX-UHFFFAOYSA-N;454.61;5.09;2520;DB00661;;CHEMBL6966;BBB;EPAM;25;0;"<a href=https://www.ebi.ac.uk/chembl/assay_report_card/CHEMBL3863409/  target=_blank>CHEMBL3863409</a>";;;;;;;;;-4.74;;;;;;;;;;;;"Wang Z, Wu J, Yang X, Cai P, Liu Q, Wang KDG, Kong L, Wang X.: Neuroprotective effects of benzyloxy substituted small molecule monoamine oxidase B inhibitors in Parkinson's disease. Bioorg Med Chem, Volume 24 (22), 2016";ChEMBL
Verapamil;MM00585;COc1ccc(CCN(C)CCCC(C#N)(c2ccc(OC)c(OC)c2)C(C)C)cc1OC;SGTNSNPWRIOYBX-UHFFFAOYSA-N;454.61;5.09;2520;DB00661;;CHEMBL6966;BBB;EPAM;25;0;"<a href=https://www.ebi.ac.uk/chembl/assay_report_card/CHEMBL3863410/  target=_blank>CHEMBL3863410</a>";;;;;;;;;-4.8;;;;;;;;;;;;"Wang Z, Wu J, Yang X, Cai P, Liu Q, Wang KDG, Kong L, Wang X.: Neuroprotective effects of benzyloxy substituted small molecule monoamine oxidase B inhibitors in Parkinson's disease. Bioorg Med Chem, Volume 24 (22), 2016";ChEMBL
Verapamil;MM00585;COc1ccc(CCN(C)CCCC(C#N)(c2ccc(OC)c(OC)c2)C(C)C)cc1OC;SGTNSNPWRIOYBX-UHFFFAOYSA-N;454.61;5.09;2520;DB00661;;CHEMBL6966;BBB;EPAM;25;0;"<a href=https://www.ebi.ac.uk/chembl/assay_report_card/CHEMBL4035435/  target=_blank>CHEMBL4035435</a>";;;;;;;;;-4.8;;;;;;;;;;;;"Sang Z, Pan W, Wang K, Ma Q, Yu L, Liu W.: Design, synthesis and biological evaluation of 3,4-dihydro-2(1H)-quinoline-O-alkylamine derivatives as new multipotent cholinesterase/monoamine oxidase inhibitors for the treatment of Alzheimer's disease. Bioorg Med Chem, Volume 25 (12), 2017";ChEMBL
Verapamil;MM00585;COc1ccc(CCN(C)CCCC(C#N)(c2ccc(OC)c(OC)c2)C(C)C)cc1OC;SGTNSNPWRIOYBX-UHFFFAOYSA-N;454.61;5.09;2520;DB00661;;CHEMBL6966;BBB;EPAM;25;0;"<a href=https://www.ebi.ac.uk/chembl/assay_report_card/CHEMBL4055315/  target=_blank>CHEMBL4055315</a>";;;;;;;;;-4.74;;;;;;;;;;;;"Li F, Wu JJ, Wang J, Yang XL, Cai P, Liu QH, Kong LY, Wang XB.: Synthesis and pharmacological evaluation of novel chromone derivatives as balanced multifunctional agents against Alzheimer's disease. Bioorg Med Chem, Volume 25 (14), 2017";ChEMBL
Verapamil;MM00585;COc1ccc(CCN(C)CCCC(C#N)(c2ccc(OC)c(OC)c2)C(C)C)cc1OC;SGTNSNPWRIOYBX-UHFFFAOYSA-N;454.61;5.09;2520;DB00661;;CHEMBL6966;BBB;EPAM;25;0;"<a href=https://www.ebi.ac.uk/chembl/assay_report_card/CHEMBL4179547/  target=_blank>CHEMBL4179547</a>";;;;;;;;;-4.94;;;;;;;;;;;;"Yang HL, Cai P, Liu QH, Yang XL, Fang SQ, Tang YW, Wang C, Wang XB, Kong LY.: Design, synthesis, and evaluation of salicyladimine derivatives as multitarget-directed ligands against Alzheimer's disease. Bioorg Med Chem, Volume 25 (21), 2017";ChEMBL
Verapamil;MM00585;COc1ccc(CCN(C)CCCC(C#N)(c2ccc(OC)c(OC)c2)C(C)C)cc1OC;SGTNSNPWRIOYBX-UHFFFAOYSA-N;454.61;5.09;2520;DB00661;;CHEMBL6966;BBB;EPAM;25;0;"<a href=https://www.ebi.ac.uk/chembl/assay_report_card/CHEMBL4188381/  target=_blank>CHEMBL4188381</a>";;;;;;;;;-4.8;;;;;;;;;;;;"Cao Z, Yang J, Xu R, Song Q, Zhang X, Liu H, Qiang X, Li Y, Tan Z, Deng Y.: Design, synthesis and evaluation of 4'-OH-flurbiprofen-chalcone hybrids as potential multifunctional agents for Alzheimer's disease treatment. Bioorg Med Chem, Volume 26 (5), 2018";ChEMBL
Verapamil;MM00585;COc1ccc(CCN(C)CCCC(C#N)(c2ccc(OC)c(OC)c2)C(C)C)cc1OC;SGTNSNPWRIOYBX-UHFFFAOYSA-N;454.61;5.09;2520;DB00661;;CHEMBL6966;BBB;EPAM;25;0;"<a href=https://www.ebi.ac.uk/chembl/assay_report_card/CHEMBL4188382/  target=_blank>CHEMBL4188382</a>";;;;;;;;;-4.79;;;;;;;;;;;;"Cao Z, Yang J, Xu R, Song Q, Zhang X, Liu H, Qiang X, Li Y, Tan Z, Deng Y.: Design, synthesis and evaluation of 4'-OH-flurbiprofen-chalcone hybrids as potential multifunctional agents for Alzheimer's disease treatment. Bioorg Med Chem, Volume 26 (5), 2018";ChEMBL
Verapamil;MM00585;COc1ccc(CCN(C)CCCC(C#N)(c2ccc(OC)c(OC)c2)C(C)C)cc1OC;SGTNSNPWRIOYBX-UHFFFAOYSA-N;454.61;5.09;2520;DB00661;;CHEMBL6966;BBB;EPAM;25;0;"<a href=https://www.ebi.ac.uk/chembl/assay_report_card/CHEMBL4221603/  target=_blank>CHEMBL4221603</a>";;;;;;;;;-4.77;;;;;;;;;;;;"Xu R, Xiao G, Li Y, Liu H, Song Q, Zhang X, Yang Z, Zheng Y, Tan Z, Deng Y.: Multifunctional 5,6-dimethoxybenzo[d]isothiazol-3(2H)-one-N-alkylbenzylamine derivatives with acetylcholinesterase, monoamine oxidases and β-amyloid aggregation inhibitory activities as potential agents against Alzheimer's disease. Bioorg Med Chem, Volume 26 (8), 2018";ChEMBL
Verapamil;MM00585;COc1ccc(CCN(C)CCCC(C#N)(c2ccc(OC)c(OC)c2)C(C)C)cc1OC;SGTNSNPWRIOYBX-UHFFFAOYSA-N;454.61;5.09;2520;DB00661;;CHEMBL6966;BBB;EPAM;25;0;"<a href=https://www.ebi.ac.uk/chembl/assay_report_card/CHEMBL4221605/  target=_blank>CHEMBL4221605</a>";;;;;;;;;-4.8;;;;;;;;;;;;"Xu R, Xiao G, Li Y, Liu H, Song Q, Zhang X, Yang Z, Zheng Y, Tan Z, Deng Y.: Multifunctional 5,6-dimethoxybenzo[d]isothiazol-3(2H)-one-N-alkylbenzylamine derivatives with acetylcholinesterase, monoamine oxidases and β-amyloid aggregation inhibitory activities as potential agents against Alzheimer's disease. Bioorg Med Chem, Volume 26 (8), 2018";ChEMBL
Verapamil;MM00585;COc1ccc(CCN(C)CCCC(C#N)(c2ccc(OC)c(OC)c2)C(C)C)cc1OC;SGTNSNPWRIOYBX-UHFFFAOYSA-N;454.61;5.09;2520;DB00661;;CHEMBL6966;BBB;EPAM;25;0;"<a href=https://www.ebi.ac.uk/chembl/assay_report_card/CHEMBL3796842/  target=_blank>CHEMBL3796842</a>";;;;;;;;;-4.71;;;;;;;;;;;;"Pan W, Hu K, Bai P, Yu L, Ma Q, Li T, Zhang X, Chen C, Peng K, Liu W, Sang Z.: Design, synthesis and evaluation of novel ferulic acid-memoquin hybrids as potential multifunctional agents for the treatment of Alzheimer's disease. Bioorg Med Chem Lett, Volume 26 (10), 2016";ChEMBL
Verapamil;MM00585;COc1ccc(CCN(C)CCCC(C#N)(c2ccc(OC)c(OC)c2)C(C)C)cc1OC;SGTNSNPWRIOYBX-UHFFFAOYSA-N;454.61;5.09;2520;DB00661;;CHEMBL6966;BBB;EPAM;25;0;"<a href=https://www.ebi.ac.uk/chembl/assay_report_card/CHEMBL4048094/  target=_blank>CHEMBL4048094</a>";;;;;;;;;-4.77;;;;;;;;;;;;"Sang Z, Wang K, Wang H, Yu L, Wang H, Ma Q, Ye M, Han X, Liu W.: Design, synthesis and biological evaluation of phthalimide-alkylamine derivatives as balanced multifunctional cholinesterase and monoamine oxidase-B inhibitors for the treatment of Alzheimer's disease. Bioorg Med Chem Lett, Volume 27 (22), 2017";ChEMBL
Verapamil;MM00585;COc1ccc(CCN(C)CCCC(C#N)(c2ccc(OC)c(OC)c2)C(C)C)cc1OC;SGTNSNPWRIOYBX-UHFFFAOYSA-N;454.61;5.09;2520;DB00661;;CHEMBL6966;BBB;EPAM;25;0;"<a href=https://www.ebi.ac.uk/chembl/assay_report_card/CHEMBL4122775/  target=_blank>CHEMBL4122775</a>";;;;;;;;;-4.77;;;;;;;;;;;;"Wang T, Tang Y, Yang Y, An Q, Sang Z, Yang T, Liu P, Zhang T, Deng Y, Luo Y.: Discovery of novel anti-tuberculosis agents with pyrrolo[1,2-a]quinoxaline-based scaffold. Bioorg Med Chem Lett, Volume 28 (11), 2018";ChEMBL
Verapamil;MM00585;COc1ccc(CCN(C)CCCC(C#N)(c2ccc(OC)c(OC)c2)C(C)C)cc1OC;SGTNSNPWRIOYBX-UHFFFAOYSA-N;454.61;5.09;2520;DB00661;;CHEMBL6966;BBB;EPAM;25;0;"<a href=https://www.ebi.ac.uk/chembl/assay_report_card/CHEMBL4122776/  target=_blank>CHEMBL4122776</a>";;;;;;;;;-4.8;;;;;;;;;;;;"Wang T, Tang Y, Yang Y, An Q, Sang Z, Yang T, Liu P, Zhang T, Deng Y, Luo Y.: Discovery of novel anti-tuberculosis agents with pyrrolo[1,2-a]quinoxaline-based scaffold. Bioorg Med Chem Lett, Volume 28 (11), 2018";ChEMBL
Verapamil;MM00585;COc1ccc(CCN(C)CCCC(C#N)(c2ccc(OC)c(OC)c2)C(C)C)cc1OC;SGTNSNPWRIOYBX-UHFFFAOYSA-N;454.61;5.09;2520;DB00661;;CHEMBL6966;BBB;EPAM;25;0;"<a href=https://www.ebi.ac.uk/chembl/assay_report_card/CHEMBL4354765/  target=_blank>CHEMBL4354765</a>";;;;;;;;;-4.77;;;;;;;;;;;;"Zhu G, Wang K, Shi J, Zhang P, Yang D, Fan X, Zhang Z, Liu W, Sang Z.: The development of 2-acetylphenol-donepezil hybrids as multifunctional agents for the treatment of Alzheimer's disease. Bioorg Med Chem Lett, Volume 29 (19), 2019";ChEMBL
Verapamil;MM00585;COc1ccc(CCN(C)CCCC(C#N)(c2ccc(OC)c(OC)c2)C(C)C)cc1OC;SGTNSNPWRIOYBX-UHFFFAOYSA-N;454.61;5.09;2520;DB00661;;CHEMBL6966;BBB;EPAM;25;0;"<a href=https://www.ebi.ac.uk/chembl/assay_report_card/CHEMBL4354771/  target=_blank>CHEMBL4354771</a>";;;;;;;;;-4.8;;;;;;;;;;;;"Zhu G, Wang K, Shi J, Zhang P, Yang D, Fan X, Zhang Z, Liu W, Sang Z.: The development of 2-acetylphenol-donepezil hybrids as multifunctional agents for the treatment of Alzheimer's disease. Bioorg Med Chem Lett, Volume 29 (19), 2019";ChEMBL
Verapamil;MM00585;COc1ccc(CCN(C)CCCC(C#N)(c2ccc(OC)c(OC)c2)C(C)C)cc1OC;SGTNSNPWRIOYBX-UHFFFAOYSA-N;454.61;5.09;2520;DB00661;;CHEMBL6966;BBB;EPAM;25;0;"<a href=https://www.ebi.ac.uk/chembl/assay_report_card/CHEMBL1929957/  target=_blank>CHEMBL1929957</a>";;;;;;;;;-4.82;;;;;;;;;;;;"Redondo M, Zarruk JG, Ceballos P, Pérez DI, Pérez C, Perez-Castillo A, Moro MA, Brea J, Val C, Cadavid MI, Loza MI, Campillo NE, Martínez A, Gil C.: Neuroprotective efficacy of quinazoline type phosphodiesterase 7 inhibitors in cellular cultures and experimental stroke model. Eur J Med Chem, Volume 47 (1), 2012";ChEMBL
Verapamil;MM00585;COc1ccc(CCN(C)CCCC(C#N)(c2ccc(OC)c(OC)c2)C(C)C)cc1OC;SGTNSNPWRIOYBX-UHFFFAOYSA-N;454.61;5.09;2520;DB00661;;CHEMBL6966;BBB;EPAM;25;0;"<a href=https://www.ebi.ac.uk/chembl/assay_report_card/CHEMBL3123849/  target=_blank>CHEMBL3123849</a>";;;;;;;;;-4.8;;;;;;;;;;;;"Di Pietro O, Viayna E, Vicente-García E, Bartolini M, Ramón R, Juárez-Jiménez J, Clos MV, Pérez B, Andrisano V, Luque FJ, Lavilla R, Muñoz-Torrero D.: 1,2,3,4-Tetrahydrobenzo[h][1,6]naphthyridines as a new family of potent peripheral-to-midgorge-site inhibitors of acetylcholinesterase: synthesis, pharmacological evaluation and mechanistic studies. Eur J Med Chem, Volume 73, 2014";ChEMBL
Verapamil;MM00585;COc1ccc(CCN(C)CCCC(C#N)(c2ccc(OC)c(OC)c2)C(C)C)cc1OC;SGTNSNPWRIOYBX-UHFFFAOYSA-N;454.61;5.09;2520;DB00661;;CHEMBL6966;BBB;EPAM;25;0;"<a href=https://www.ebi.ac.uk/chembl/assay_report_card/CHEMBL3372306/  target=_blank>CHEMBL3372306</a>";;;;;;;;;-4.67;;;;;;;;;;;;"Huang L, Miao H, Sun Y, Meng F, Li X.: Discovery of indanone derivatives as multi-target-directed ligands against Alzheimer's disease. Eur J Med Chem, Volume 87, 2014";ChEMBL
Verapamil;MM00585;COc1ccc(CCN(C)CCCC(C#N)(c2ccc(OC)c(OC)c2)C(C)C)cc1OC;SGTNSNPWRIOYBX-UHFFFAOYSA-N;454.61;5.09;2520;DB00661;;CHEMBL6966;BBB;EPAM;25;0;"<a href=https://www.ebi.ac.uk/chembl/assay_report_card/CHEMBL3875283/  target=_blank>CHEMBL3875283</a>";;;;;;;;;-3.9;;;;;;;;;;;;"Więckowska A, Kołaczkowski M, Bucki A, Godyń J, Marcinkowska M, Więckowski K, Zaręba P, Siwek A, Kazek G, Głuch-Lutwin M, Mierzejewski P, Bienkowski P, Sienkiewicz-Jarosz H, Knez D, Wichur T, Gobec S, Malawska B.: Novel multi-target-directed ligands for Alzheimer's disease: Combining cholinesterase inhibitors and 5-HT<sub>6</sub> receptor antagonists. Design, synthesis and biological evaluation. Eur J Med Chem, Volume 124, 2016";ChEMBL
Verapamil;MM00585;COc1ccc(CCN(C)CCCC(C#N)(c2ccc(OC)c(OC)c2)C(C)C)cc1OC;SGTNSNPWRIOYBX-UHFFFAOYSA-N;454.61;5.09;2520;DB00661;;CHEMBL6966;BBB;EPAM;25;0;"<a href=https://www.ebi.ac.uk/chembl/assay_report_card/CHEMBL4011777/  target=_blank>CHEMBL4011777</a>";;;;;;;;;-4.77;;;;;;;;;;;;"Sang Z, Pan W, Wang K, Ma Q, Yu L, Yang Y, Bai P, Leng C, Xu Q, Li X, Tan Z, Liu W.: Design, synthesis and evaluation of novel ferulic acid-O-alkylamine derivatives as potential multifunctional agents for the treatment of Alzheimer's disease. Eur J Med Chem, Volume 130, 2017";ChEMBL
Verapamil;MM00585;COc1ccc(CCN(C)CCCC(C#N)(c2ccc(OC)c(OC)c2)C(C)C)cc1OC;SGTNSNPWRIOYBX-UHFFFAOYSA-N;454.61;5.09;2520;DB00661;;CHEMBL6966;BBB;EPAM;25;0;"<a href=https://www.ebi.ac.uk/chembl/assay_report_card/CHEMBL4034191/  target=_blank>CHEMBL4034191</a>";;;;;;;;;-4.74;;;;;;;;;;;;"Lan JS, Zhang T, Liu Y, Yang J, Xie SS, Liu J, Miao ZY, Ding Y.: Design, synthesis and biological activity of novel donepezil derivatives bearing N-benzyl pyridinium moiety as potent and dual binding site acetylcholinesterase inhibitors. Eur J Med Chem, Volume 133, 2017";ChEMBL
Verapamil;MM00585;COc1ccc(CCN(C)CCCC(C#N)(c2ccc(OC)c(OC)c2)C(C)C)cc1OC;SGTNSNPWRIOYBX-UHFFFAOYSA-N;454.61;5.09;2520;DB00661;;CHEMBL6966;BBB;EPAM;25;0;"<a href=https://www.ebi.ac.uk/chembl/assay_report_card/CHEMBL4034201/  target=_blank>CHEMBL4034201</a>";;;;;;;;;-4.8;;;;;;;;;;;;"Lan JS, Zhang T, Liu Y, Yang J, Xie SS, Liu J, Miao ZY, Ding Y.: Design, synthesis and biological activity of novel donepezil derivatives bearing N-benzyl pyridinium moiety as potent and dual binding site acetylcholinesterase inhibitors. Eur J Med Chem, Volume 133, 2017";ChEMBL
Verapamil;MM00585;COc1ccc(CCN(C)CCCC(C#N)(c2ccc(OC)c(OC)c2)C(C)C)cc1OC;SGTNSNPWRIOYBX-UHFFFAOYSA-N;454.61;5.09;2520;DB00661;;CHEMBL6966;BBB;EPAM;25;0;"<a href=https://www.ebi.ac.uk/chembl/assay_report_card/CHEMBL4193311/  target=_blank>CHEMBL4193311</a>";;;;;;;;;-4.85;;;;;;;;;;;;"Lan JS, Ding Y, Liu Y, Kang P, Hou JW, Zhang XY, Xie SS, Zhang T.: Design, synthesis and biological evaluation of novel coumarin-N-benzyl pyridinium hybrids as multi-target agents for the treatment of Alzheimer's disease. Eur J Med Chem, Volume 139, 2017";ChEMBL
Verapamil;MM00585;COc1ccc(CCN(C)CCCC(C#N)(c2ccc(OC)c(OC)c2)C(C)C)cc1OC;SGTNSNPWRIOYBX-UHFFFAOYSA-N;454.61;5.09;2520;DB00661;;CHEMBL6966;BBB;EPAM;25;0;"<a href=https://www.ebi.ac.uk/chembl/assay_report_card/CHEMBL4193312/  target=_blank>CHEMBL4193312</a>";;;;;;;;;-4.8;;;;;;;;;;;;"Lan JS, Ding Y, Liu Y, Kang P, Hou JW, Zhang XY, Xie SS, Zhang T.: Design, synthesis and biological evaluation of novel coumarin-N-benzyl pyridinium hybrids as multi-target agents for the treatment of Alzheimer's disease. Eur J Med Chem, Volume 139, 2017";ChEMBL
Verapamil;MM00585;COc1ccc(CCN(C)CCCC(C#N)(c2ccc(OC)c(OC)c2)C(C)C)cc1OC;SGTNSNPWRIOYBX-UHFFFAOYSA-N;454.61;5.09;2520;DB00661;;CHEMBL6966;BBB;EPAM;25;0;"<a href=https://www.ebi.ac.uk/chembl/assay_report_card/CHEMBL4193463/  target=_blank>CHEMBL4193463</a>";;;;;;;;;-4.75;;;;;;;;;;;;"Wang J, Cai P, Yang XL, Li F, Wu JJ, Kong LY, Wang XB.: Novel cinnamamide-dibenzylamine hybrids: Potent neurogenic agents with antioxidant, cholinergic, and neuroprotective properties as innovative drugs for Alzheimer's disease. Eur J Med Chem, Volume 139, 2017";ChEMBL
Verapamil;MM00585;COc1ccc(CCN(C)CCCC(C#N)(c2ccc(OC)c(OC)c2)C(C)C)cc1OC;SGTNSNPWRIOYBX-UHFFFAOYSA-N;454.61;5.09;2520;DB00661;;CHEMBL6966;BBB;EPAM;25;0;"<a href=https://www.ebi.ac.uk/chembl/assay_report_card/CHEMBL4268507/  target=_blank>CHEMBL4268507</a>";;;;;;;;;-4.72;;;;;;;;;;;;"Reis J, Cagide F, Valencia ME, Teixeira J, Bagetta D, Pérez C, Uriarte E, Oliveira PJ, Ortuso F, Alcaro S, Rodríguez-Franco MI, Borges F.: Multi-target-directed ligands for Alzheimer's disease: Discovery of chromone-based monoamine oxidase/cholinesterase inhibitors. Eur J Med Chem, Volume 158, 2018";ChEMBL
Verapamil;MM00585;COc1ccc(CCN(C)CCCC(C#N)(c2ccc(OC)c(OC)c2)C(C)C)cc1OC;SGTNSNPWRIOYBX-UHFFFAOYSA-N;454.61;5.09;2520;DB00661;;CHEMBL6966;BBB;EPAM;25;0;"<a href=https://www.ebi.ac.uk/chembl/assay_report_card/CHEMBL4268508/  target=_blank>CHEMBL4268508</a>";;;;;;;;;-4.8;;;;;;;;;;;;"Reis J, Cagide F, Valencia ME, Teixeira J, Bagetta D, Pérez C, Uriarte E, Oliveira PJ, Ortuso F, Alcaro S, Rodríguez-Franco MI, Borges F.: Multi-target-directed ligands for Alzheimer's disease: Discovery of chromone-based monoamine oxidase/cholinesterase inhibitors. Eur J Med Chem, Volume 158, 2018";ChEMBL
Verapamil;MM00585;COc1ccc(CCN(C)CCCC(C#N)(c2ccc(OC)c(OC)c2)C(C)C)cc1OC;SGTNSNPWRIOYBX-UHFFFAOYSA-N;454.61;5.09;2520;DB00661;;CHEMBL6966;BBB;EPAM;25;0;"<a href=https://www.ebi.ac.uk/chembl/assay_report_card/CHEMBL4331636/  target=_blank>CHEMBL4331636</a>";;;;;;;;;-4.78;;;;;;;;;;;;"Tang YW, Shi CJ, Yang HL, Cai P, Liu QH, Yang XL, Kong LY, Wang XB.: Synthesis and evaluation of isoprenylation-resveratrol dimer derivatives against Alzheimer's disease. Eur J Med Chem, Volume 163, 2019";ChEMBL
Verapamil;MM00585;COc1ccc(CCN(C)CCCC(C#N)(c2ccc(OC)c(OC)c2)C(C)C)cc1OC;SGTNSNPWRIOYBX-UHFFFAOYSA-N;454.61;5.09;2520;DB00661;;CHEMBL6966;BBB;EPAM;25;0;"<a href=https://www.ebi.ac.uk/chembl/assay_report_card/CHEMBL4331637/  target=_blank>CHEMBL4331637</a>";;;;;;;;;-4.8;;;;;;;;;;;;"Tang YW, Shi CJ, Yang HL, Cai P, Liu QH, Yang XL, Kong LY, Wang XB.: Synthesis and evaluation of isoprenylation-resveratrol dimer derivatives against Alzheimer's disease. Eur J Med Chem, Volume 163, 2019";ChEMBL
Verapamil;MM00585;COc1ccc(CCN(C)CCCC(C#N)(c2ccc(OC)c(OC)c2)C(C)C)cc1OC;SGTNSNPWRIOYBX-UHFFFAOYSA-N;454.61;5.09;2520;DB00661;;CHEMBL6966;BBB;EPAM;25;0;"<a href=https://www.ebi.ac.uk/chembl/assay_report_card/CHEMBL4307309/  target=_blank>CHEMBL4307309</a>";;;;;;;;;-4.8;;;;;;;;;;;;"Pérez-Areales FJ, Turcu AL, Barniol-Xicota M, Pont C, Pivetta D, Espargaró A, Bartolini M, De Simone A, Andrisano V, Pérez B, Sabate R, Sureda FX, Vázquez S, Muñoz-Torrero D.: A novel class of multitarget anti-Alzheimer benzohomoadamantane‒chlorotacrine hybrids modulating cholinesterases and glutamate NMDA receptors. Eur J Med Chem, Volume 180, 2019";ChEMBL
Verapamil;MM00585;COc1ccc(CCN(C)CCCC(C#N)(c2ccc(OC)c(OC)c2)C(C)C)cc1OC;SGTNSNPWRIOYBX-UHFFFAOYSA-N;454.61;5.09;2520;DB00661;;CHEMBL6966;BBB;EPAM;25;0;"<a href=https://www.ebi.ac.uk/chembl/assay_report_card/CHEMBL4314243/  target=_blank>CHEMBL4314243</a>";;;;;;;;;-4.77;;;;;;;;;;;;"Bai P, Wang K, Zhang P, Shi J, Cheng X, Zhang Q, Zheng C, Cheng Y, Yang J, Lu X, Sang Z.: Development of chalcone-O-alkylamine derivatives as multifunctional agents against Alzheimer's disease. Eur J Med Chem, Volume 183, 2019";ChEMBL
Verapamil;MM00585;COc1ccc(CCN(C)CCCC(C#N)(c2ccc(OC)c(OC)c2)C(C)C)cc1OC;SGTNSNPWRIOYBX-UHFFFAOYSA-N;454.61;5.09;2520;DB00661;;CHEMBL6966;BBB;EPAM;25;0;"<a href=https://www.ebi.ac.uk/chembl/assay_report_card/CHEMBL4314272/  target=_blank>CHEMBL4314272</a>";;;;;;;;;-4.8;;;;;;;;;;;;"Bai P, Wang K, Zhang P, Shi J, Cheng X, Zhang Q, Zheng C, Cheng Y, Yang J, Lu X, Sang Z.: Development of chalcone-O-alkylamine derivatives as multifunctional agents against Alzheimer's disease. Eur J Med Chem, Volume 183, 2019";ChEMBL
Verapamil;MM00585;COc1ccc(CCN(C)CCCC(C#N)(c2ccc(OC)c(OC)c2)C(C)C)cc1OC;SGTNSNPWRIOYBX-UHFFFAOYSA-N;454.61;5.09;2520;DB00661;;CHEMBL6966;BBB;EPAM;25;0;"<a href=https://www.ebi.ac.uk/chembl/assay_report_card/CHEMBL4032168/  target=_blank>CHEMBL4032168</a>";;;;;;;;;-4.67;;;;;;;;;;;;"Do HT, Wang HY, Li H, Chreifi G, Poulos TL, Silverman RB.: Improvement of Cell Permeability of Human Neuronal Nitric Oxide Synthase Inhibitors Using Potent and Selective 2-Aminopyridine-Based Scaffolds with a Fluorobenzene Linker. J Med Chem, Volume 60 (22), 2017";ChEMBL
Verapamil;MM00585;COc1ccc(CCN(C)CCCC(C#N)(c2ccc(OC)c(OC)c2)C(C)C)cc1OC;SGTNSNPWRIOYBX-UHFFFAOYSA-N;454.61;5.09;2520;DB00661;;CHEMBL6966;BBB;EPAM;25;0;"<a href=https://www.ebi.ac.uk/chembl/assay_report_card/CHEMBL4032169/  target=_blank>CHEMBL4032169</a>";;;;;;;;;-4.8;;;;;;;;;;;;"Do HT, Wang HY, Li H, Chreifi G, Poulos TL, Silverman RB.: Improvement of Cell Permeability of Human Neuronal Nitric Oxide Synthase Inhibitors Using Potent and Selective 2-Aminopyridine-Based Scaffolds with a Fluorobenzene Linker. J Med Chem, Volume 60 (22), 2017";ChEMBL
Verapamil;MM00585;COc1ccc(CCN(C)CCCC(C#N)(c2ccc(OC)c(OC)c2)C(C)C)cc1OC;SGTNSNPWRIOYBX-UHFFFAOYSA-N;454.61;5.09;2520;DB00661;;CHEMBL6966;BBB;EPAM;25;0;"<a href=https://www.ebi.ac.uk/chembl/assay_report_card/CHEMBL3587320/  target=_blank>CHEMBL3587320</a>";;;;;;;;;-4.8;;;;;;;;;;;;"Cahlíková L, Pérez DI, Štěpánková Š, Chlebek J, Šafratová M, Hošt'álková A, Opletal L.: In Vitro Inhibitory Effects of 8-O-Demethylmaritidine and Undulatine on Acetylcholinesterase and Their Predicted Penetration across the Blood-Brain Barrier. J Nat Prod, Volume 78 (6), 2015";ChEMBL
Verapamil;MM00585;COc1ccc(CCN(C)CCCC(C#N)(c2ccc(OC)c(OC)c2)C(C)C)cc1OC;SGTNSNPWRIOYBX-UHFFFAOYSA-N;454.61;5.09;2520;DB00661;;CHEMBL6966;BBB;EPAM;25;0;"<a href=https://www.ebi.ac.uk/chembl/assay_report_card/CHEMBL3587321/  target=_blank>CHEMBL3587321</a>";;;;;;;;;-4.73;;;;;;;;;;;;"Cahlíková L, Pérez DI, Štěpánková Š, Chlebek J, Šafratová M, Hošt'álková A, Opletal L.: In Vitro Inhibitory Effects of 8-O-Demethylmaritidine and Undulatine on Acetylcholinesterase and Their Predicted Penetration across the Blood-Brain Barrier. J Nat Prod, Volume 78 (6), 2015";ChEMBL
Verapamil;MM00585;COc1ccc(CCN(C)CCCC(C#N)(c2ccc(OC)c(OC)c2)C(C)C)cc1OC;SGTNSNPWRIOYBX-UHFFFAOYSA-N;454.61;5.09;2520;DB00661;;CHEMBL6966;BBB;EPAM;25;0;"<a href=https://www.ebi.ac.uk/chembl/assay_report_card/CHEMBL1052382/  target=_blank>CHEMBL1052382</a>";;;;;;;;;-4.8;;;;;;;;;;;;"Camps P, Formosa X, Galdeano C, Muñoz-Torrero D, Ramírez L, Gómez E, Isambert N, Lavilla R, Badia A, Clos MV, Bartolini M, Mancini F, Andrisano V, Arce MP, Rodríguez-Franco MI, Huertas O, Dafni T, Luque FJ.: Pyrano[3,2-c]quinoline-6-chlorotacrine hybrids as a novel family of acetylcholinesterase- and beta-amyloid-directed anti-Alzheimer compounds. J Med Chem, Volume 52 (17), 2009";ChEMBL
Verapamil;MM00585;COc1ccc(CCN(C)CCCC(C#N)(c2ccc(OC)c(OC)c2)C(C)C)cc1OC;SGTNSNPWRIOYBX-UHFFFAOYSA-N;454.61;5.09;2520;DB00661;;CHEMBL6966;BBB;EPAM;25;0;"<a href=https://www.ebi.ac.uk/chembl/assay_report_card/CHEMBL1052383/  target=_blank>CHEMBL1052383</a>";;;;;;;;;-4.55;;;;;;;;;;;;"Camps P, Formosa X, Galdeano C, Muñoz-Torrero D, Ramírez L, Gómez E, Isambert N, Lavilla R, Badia A, Clos MV, Bartolini M, Mancini F, Andrisano V, Arce MP, Rodríguez-Franco MI, Huertas O, Dafni T, Luque FJ.: Pyrano[3,2-c]quinoline-6-chlorotacrine hybrids as a novel family of acetylcholinesterase- and beta-amyloid-directed anti-Alzheimer compounds. J Med Chem, Volume 52 (17), 2009";ChEMBL
Verapamil;MM00585;COc1ccc(CCN(C)CCCC(C#N)(c2ccc(OC)c(OC)c2)C(C)C)cc1OC;SGTNSNPWRIOYBX-UHFFFAOYSA-N;454.61;5.09;2520;DB00661;;CHEMBL6966;BBB;EPAM;25;0;"<a href=https://www.ebi.ac.uk/chembl/assay_report_card/CHEMBL1052384/  target=_blank>CHEMBL1052384</a>";;;;;;;;;-4.57;;;;;;;;;;;;"Camps P, Formosa X, Galdeano C, Muñoz-Torrero D, Ramírez L, Gómez E, Isambert N, Lavilla R, Badia A, Clos MV, Bartolini M, Mancini F, Andrisano V, Arce MP, Rodríguez-Franco MI, Huertas O, Dafni T, Luque FJ.: Pyrano[3,2-c]quinoline-6-chlorotacrine hybrids as a novel family of acetylcholinesterase- and beta-amyloid-directed anti-Alzheimer compounds. J Med Chem, Volume 52 (17), 2009";ChEMBL
Verapamil;MM00585;COc1ccc(CCN(C)CCCC(C#N)(c2ccc(OC)c(OC)c2)C(C)C)cc1OC;SGTNSNPWRIOYBX-UHFFFAOYSA-N;454.61;5.09;2520;DB00661;;CHEMBL6966;BBB;EPAM;25;0;"<a href=https://www.ebi.ac.uk/chembl/assay_report_card/CHEMBL3821787/  target=_blank>CHEMBL3821787</a>";;;;;;;;;-4.73;;;;;;;;;;;;10.1039/C6MD00053C;ChEMBL
Verapamil;MM00585;COc1ccc(CCN(C)CCCC(C#N)(c2ccc(OC)c(OC)c2)C(C)C)cc1OC;SGTNSNPWRIOYBX-UHFFFAOYSA-N;454.61;5.09;2520;DB00661;;CHEMBL6966;BBB;EPAM;25;0;"<a href=https://www.ebi.ac.uk/chembl/assay_report_card/CHEMBL3821788/  target=_blank>CHEMBL3821788</a>";;;;;;;;;-4.8;;;;;;;;;;;;10.1039/C6MD00053C;ChEMBL
Chlorpromazine;MM00461;CN(C)CCCN1c2ccccc2Sc2ccc(Cl)cc21;ZPEIMTDSQAKGNT-UHFFFAOYSA-N;318.87;4.89;2726;DB00477;Z80;CHEMBL71;BBB;EPAM;25;0;"<a href=https://www.ebi.ac.uk/chembl/assay_report_card/CHEMBL3372306/  target=_blank>CHEMBL3372306</a>";;;;;;;;;-5.22;;;;;;;;;;;;"Huang L, Miao H, Sun Y, Meng F, Li X.: Discovery of indanone derivatives as multi-target-directed ligands against Alzheimer's disease. Eur J Med Chem, Volume 87, 2014";ChEMBL
Chlorpromazine;MM00461;CN(C)CCCN1c2ccccc2Sc2ccc(Cl)cc21;ZPEIMTDSQAKGNT-UHFFFAOYSA-N;318.87;4.89;2726;DB00477;Z80;CHEMBL71;BBB;EPAM;25;0;"<a href=https://www.ebi.ac.uk/chembl/assay_report_card/CHEMBL4032168/  target=_blank>CHEMBL4032168</a>";;;;;;;;;-5.09;;;;;;;;;;;;"Do HT, Wang HY, Li H, Chreifi G, Poulos TL, Silverman RB.: Improvement of Cell Permeability of Human Neuronal Nitric Oxide Synthase Inhibitors Using Potent and Selective 2-Aminopyridine-Based Scaffolds with a Fluorobenzene Linker. J Med Chem, Volume 60 (22), 2017";ChEMBL
Chlorpromazine;MM00461;CN(C)CCCN1c2ccccc2Sc2ccc(Cl)cc21;ZPEIMTDSQAKGNT-UHFFFAOYSA-N;318.87;4.89;2726;DB00477;Z80;CHEMBL71;BBB;EPAM;25;0;"<a href=https://www.ebi.ac.uk/chembl/assay_report_card/CHEMBL4032169/  target=_blank>CHEMBL4032169</a>";;;;;;;;;-5.19;;;;;;;;;;;;"Do HT, Wang HY, Li H, Chreifi G, Poulos TL, Silverman RB.: Improvement of Cell Permeability of Human Neuronal Nitric Oxide Synthase Inhibitors Using Potent and Selective 2-Aminopyridine-Based Scaffolds with a Fluorobenzene Linker. J Med Chem, Volume 60 (22), 2017";ChEMBL
Chlorpromazine;MM00461;CN(C)CCCN1c2ccccc2Sc2ccc(Cl)cc21;ZPEIMTDSQAKGNT-UHFFFAOYSA-N;318.87;4.89;2726;DB00477;Z80;CHEMBL71;BBB;EPAM;25;0;"<a href=https://www.ebi.ac.uk/chembl/assay_report_card/CHEMBL1052382/  target=_blank>CHEMBL1052382</a>";;;;;;;;;-5.19;;;;;;;;;;;;"Camps P, Formosa X, Galdeano C, Muñoz-Torrero D, Ramírez L, Gómez E, Isambert N, Lavilla R, Badia A, Clos MV, Bartolini M, Mancini F, Andrisano V, Arce MP, Rodríguez-Franco MI, Huertas O, Dafni T, Luque FJ.: Pyrano[3,2-c]quinoline-6-chlorotacrine hybrids as a novel family of acetylcholinesterase- and beta-amyloid-directed anti-Alzheimer compounds. J Med Chem, Volume 52 (17), 2009";ChEMBL
Chlorpromazine;MM00461;CN(C)CCCN1c2ccccc2Sc2ccc(Cl)cc21;ZPEIMTDSQAKGNT-UHFFFAOYSA-N;318.87;4.89;2726;DB00477;Z80;CHEMBL71;BBB;EPAM;25;0;"<a href=https://www.ebi.ac.uk/chembl/assay_report_card/CHEMBL1052383/  target=_blank>CHEMBL1052383</a>";;;;;;;;;-4.87;;;;;;;;;;;;"Camps P, Formosa X, Galdeano C, Muñoz-Torrero D, Ramírez L, Gómez E, Isambert N, Lavilla R, Badia A, Clos MV, Bartolini M, Mancini F, Andrisano V, Arce MP, Rodríguez-Franco MI, Huertas O, Dafni T, Luque FJ.: Pyrano[3,2-c]quinoline-6-chlorotacrine hybrids as a novel family of acetylcholinesterase- and beta-amyloid-directed anti-Alzheimer compounds. J Med Chem, Volume 52 (17), 2009";ChEMBL
Chlorpromazine;MM00461;CN(C)CCCN1c2ccccc2Sc2ccc(Cl)cc21;ZPEIMTDSQAKGNT-UHFFFAOYSA-N;318.87;4.89;2726;DB00477;Z80;CHEMBL71;BBB;EPAM;25;0;"<a href=https://www.ebi.ac.uk/chembl/assay_report_card/CHEMBL1052384/  target=_blank>CHEMBL1052384</a>";;;;;;;;;-5.07;;;;;;;;;;;;"Camps P, Formosa X, Galdeano C, Muñoz-Torrero D, Ramírez L, Gómez E, Isambert N, Lavilla R, Badia A, Clos MV, Bartolini M, Mancini F, Andrisano V, Arce MP, Rodríguez-Franco MI, Huertas O, Dafni T, Luque FJ.: Pyrano[3,2-c]quinoline-6-chlorotacrine hybrids as a novel family of acetylcholinesterase- and beta-amyloid-directed anti-Alzheimer compounds. J Med Chem, Volume 52 (17), 2009";ChEMBL
Desipramine;MM00474;CNCCCN1c2ccccc2CCc2ccccc21;HCYAFALTSJYZDH-UHFFFAOYSA-N;266.39;3.53;2995;DB01151;DSM;CHEMBL72;BBB;EPAM;25;0;"<a href=https://www.ebi.ac.uk/chembl/assay_report_card/CHEMBL3366747/  target=_blank>CHEMBL3366747</a>";;;;;;;;;-4.75;;;;;;;;;;;;"Pérez-Areales FJ, Di Pietro O, Espargaró A, Vallverdú-Queralt A, Galdeano C, Ragusa IM, Viayna E, Guillou C, Clos MV, Pérez B, Sabaté R, Lamuela-Raventós RM, Luque FJ, Muñoz-Torrero D.: Shogaol-huprine hybrids: dual antioxidant and anticholinesterase agents with β-amyloid and tau anti-aggregating properties. Bioorg Med Chem, Volume 22 (19), 2014";ChEMBL
Desipramine;MM00474;CNCCCN1c2ccccc2CCc2ccccc21;HCYAFALTSJYZDH-UHFFFAOYSA-N;266.39;3.53;2995;DB01151;DSM;CHEMBL72;BBB;EPAM;25;0;"<a href=https://www.ebi.ac.uk/chembl/assay_report_card/CHEMBL4180912/  target=_blank>CHEMBL4180912</a>";;;;;;;;;-5.05;;;;;;;;;;;;"Ma T, Zou F, Pusch S, Yang L, Zhu Q, Xu Y, Gu Y, von Deimling A, Zha X.: Design, synthesis and biological activity of 3-pyrazine-2-yl-oxazolidin-2-ones as novel, potent and selective inhibitors of mutant isocitrate dehydrogenase 1. Bioorg Med Chem, Volume 25 (24), 2017";ChEMBL
Desipramine;MM00474;CNCCCN1c2ccccc2CCc2ccccc21;HCYAFALTSJYZDH-UHFFFAOYSA-N;266.39;3.53;2995;DB01151;DSM;CHEMBL72;BBB;EPAM;25;0;"<a href=https://www.ebi.ac.uk/chembl/assay_report_card/CHEMBL4184799/  target=_blank>CHEMBL4184799</a>";;;;;;;;;-5.05;;;;;;;;;;;;"Zou F, Pusch S, Hua J, Ma T, Yang L, Zhu Q, Xu Y, Gu Y, von Deimling A, Zha X.: Identification of novel allosteric inhibitors of mutant isocitrate dehydrogenase 1 by cross docking-based virtual screening. Bioorg Med Chem Lett, Volume 28 (3), 2018";ChEMBL
Desipramine;MM00474;CNCCCN1c2ccccc2CCc2ccccc21;HCYAFALTSJYZDH-UHFFFAOYSA-N;266.39;3.53;2995;DB01151;DSM;CHEMBL72;BBB;EPAM;25;0;"<a href=https://www.ebi.ac.uk/chembl/assay_report_card/CHEMBL1929957/  target=_blank>CHEMBL1929957</a>";;;;;;;;;-4.8;;;;;;;;;;;;"Redondo M, Zarruk JG, Ceballos P, Pérez DI, Pérez C, Perez-Castillo A, Moro MA, Brea J, Val C, Cadavid MI, Loza MI, Campillo NE, Martínez A, Gil C.: Neuroprotective efficacy of quinazoline type phosphodiesterase 7 inhibitors in cellular cultures and experimental stroke model. Eur J Med Chem, Volume 47 (1), 2012";ChEMBL
Desipramine;MM00474;CNCCCN1c2ccccc2CCc2ccccc21;HCYAFALTSJYZDH-UHFFFAOYSA-N;266.39;3.53;2995;DB01151;DSM;CHEMBL72;BBB;EPAM;25;0;"<a href=https://www.ebi.ac.uk/chembl/assay_report_card/CHEMBL3123849/  target=_blank>CHEMBL3123849</a>";;;;;;;;;-4.92;;;;;;;;;;;;"Di Pietro O, Viayna E, Vicente-García E, Bartolini M, Ramón R, Juárez-Jiménez J, Clos MV, Pérez B, Andrisano V, Luque FJ, Lavilla R, Muñoz-Torrero D.: 1,2,3,4-Tetrahydrobenzo[h][1,6]naphthyridines as a new family of potent peripheral-to-midgorge-site inhibitors of acetylcholinesterase: synthesis, pharmacological evaluation and mechanistic studies. Eur J Med Chem, Volume 73, 2014";ChEMBL
Desipramine;MM00474;CNCCCN1c2ccccc2CCc2ccccc21;HCYAFALTSJYZDH-UHFFFAOYSA-N;266.39;3.53;2995;DB01151;DSM;CHEMBL72;BBB;EPAM;25;0;"<a href=https://www.ebi.ac.uk/chembl/assay_report_card/CHEMBL3372306/  target=_blank>CHEMBL3372306</a>";;;;;;;;;-4.79;;;;;;;;;;;;"Huang L, Miao H, Sun Y, Meng F, Li X.: Discovery of indanone derivatives as multi-target-directed ligands against Alzheimer's disease. Eur J Med Chem, Volume 87, 2014";ChEMBL
Desipramine;MM00474;CNCCCN1c2ccccc2CCc2ccccc21;HCYAFALTSJYZDH-UHFFFAOYSA-N;266.39;3.53;2995;DB01151;DSM;CHEMBL72;BBB;EPAM;25;0;"<a href=https://www.ebi.ac.uk/chembl/assay_report_card/CHEMBL4268507/  target=_blank>CHEMBL4268507</a>";;;;;;;;;-4.82;;;;;;;;;;;;"Reis J, Cagide F, Valencia ME, Teixeira J, Bagetta D, Pérez C, Uriarte E, Oliveira PJ, Ortuso F, Alcaro S, Rodríguez-Franco MI, Borges F.: Multi-target-directed ligands for Alzheimer's disease: Discovery of chromone-based monoamine oxidase/cholinesterase inhibitors. Eur J Med Chem, Volume 158, 2018";ChEMBL
Desipramine;MM00474;CNCCCN1c2ccccc2CCc2ccccc21;HCYAFALTSJYZDH-UHFFFAOYSA-N;266.39;3.53;2995;DB01151;DSM;CHEMBL72;BBB;EPAM;25;0;"<a href=https://www.ebi.ac.uk/chembl/assay_report_card/CHEMBL4268508/  target=_blank>CHEMBL4268508</a>";;;;;;;;;-4.92;;;;;;;;;;;;"Reis J, Cagide F, Valencia ME, Teixeira J, Bagetta D, Pérez C, Uriarte E, Oliveira PJ, Ortuso F, Alcaro S, Rodríguez-Franco MI, Borges F.: Multi-target-directed ligands for Alzheimer's disease: Discovery of chromone-based monoamine oxidase/cholinesterase inhibitors. Eur J Med Chem, Volume 158, 2018";ChEMBL
Desipramine;MM00474;CNCCCN1c2ccccc2CCc2ccccc21;HCYAFALTSJYZDH-UHFFFAOYSA-N;266.39;3.53;2995;DB01151;DSM;CHEMBL72;BBB;EPAM;25;0;"<a href=https://www.ebi.ac.uk/chembl/assay_report_card/CHEMBL4307309/  target=_blank>CHEMBL4307309</a>";;;;;;;;;-4.92;;;;;;;;;;;;"Pérez-Areales FJ, Turcu AL, Barniol-Xicota M, Pont C, Pivetta D, Espargaró A, Bartolini M, De Simone A, Andrisano V, Pérez B, Sabate R, Sureda FX, Vázquez S, Muñoz-Torrero D.: A novel class of multitarget anti-Alzheimer benzohomoadamantane‒chlorotacrine hybrids modulating cholinesterases and glutamate NMDA receptors. Eur J Med Chem, Volume 180, 2019";ChEMBL
Desipramine;MM00474;CNCCCN1c2ccccc2CCc2ccccc21;HCYAFALTSJYZDH-UHFFFAOYSA-N;266.39;3.53;2995;DB01151;DSM;CHEMBL72;BBB;EPAM;25;0;"<a href=https://www.ebi.ac.uk/chembl/assay_report_card/CHEMBL4032168/  target=_blank>CHEMBL4032168</a>";;;;;;;;;-4.69;;;;;;;;;;;;"Do HT, Wang HY, Li H, Chreifi G, Poulos TL, Silverman RB.: Improvement of Cell Permeability of Human Neuronal Nitric Oxide Synthase Inhibitors Using Potent and Selective 2-Aminopyridine-Based Scaffolds with a Fluorobenzene Linker. J Med Chem, Volume 60 (22), 2017";ChEMBL
Desipramine;MM00474;CNCCCN1c2ccccc2CCc2ccccc21;HCYAFALTSJYZDH-UHFFFAOYSA-N;266.39;3.53;2995;DB01151;DSM;CHEMBL72;BBB;EPAM;25;0;"<a href=https://www.ebi.ac.uk/chembl/assay_report_card/CHEMBL4032169/  target=_blank>CHEMBL4032169</a>";;;;;;;;;-4.92;;;;;;;;;;;;"Do HT, Wang HY, Li H, Chreifi G, Poulos TL, Silverman RB.: Improvement of Cell Permeability of Human Neuronal Nitric Oxide Synthase Inhibitors Using Potent and Selective 2-Aminopyridine-Based Scaffolds with a Fluorobenzene Linker. J Med Chem, Volume 60 (22), 2017";ChEMBL
Desipramine;MM00474;CNCCCN1c2ccccc2CCc2ccccc21;HCYAFALTSJYZDH-UHFFFAOYSA-N;266.39;3.53;2995;DB01151;DSM;CHEMBL72;BBB;EPAM;25;0;"<a href=https://www.ebi.ac.uk/chembl/assay_report_card/CHEMBL3587320/  target=_blank>CHEMBL3587320</a>";;;;;;;;;-4.92;;;;;;;;;;;;"Cahlíková L, Pérez DI, Štěpánková Š, Chlebek J, Šafratová M, Hošt'álková A, Opletal L.: In Vitro Inhibitory Effects of 8-O-Demethylmaritidine and Undulatine on Acetylcholinesterase and Their Predicted Penetration across the Blood-Brain Barrier. J Nat Prod, Volume 78 (6), 2015";ChEMBL
Desipramine;MM00474;CNCCCN1c2ccccc2CCc2ccccc21;HCYAFALTSJYZDH-UHFFFAOYSA-N;266.39;3.53;2995;DB01151;DSM;CHEMBL72;BBB;EPAM;25;0;"<a href=https://www.ebi.ac.uk/chembl/assay_report_card/CHEMBL3587321/  target=_blank>CHEMBL3587321</a>";;;;;;;;;-4.9;;;;;;;;;;;;"Cahlíková L, Pérez DI, Štěpánková Š, Chlebek J, Šafratová M, Hošt'álková A, Opletal L.: In Vitro Inhibitory Effects of 8-O-Demethylmaritidine and Undulatine on Acetylcholinesterase and Their Predicted Penetration across the Blood-Brain Barrier. J Nat Prod, Volume 78 (6), 2015";ChEMBL
Desipramine;MM00474;CNCCCN1c2ccccc2CCc2ccccc21;HCYAFALTSJYZDH-UHFFFAOYSA-N;266.39;3.53;2995;DB01151;DSM;CHEMBL72;BBB;EPAM;25;0;"<a href=https://www.ebi.ac.uk/chembl/assay_report_card/CHEMBL1052382/  target=_blank>CHEMBL1052382</a>";;;;;;;;;-4.92;;;;;;;;;;;;"Camps P, Formosa X, Galdeano C, Muñoz-Torrero D, Ramírez L, Gómez E, Isambert N, Lavilla R, Badia A, Clos MV, Bartolini M, Mancini F, Andrisano V, Arce MP, Rodríguez-Franco MI, Huertas O, Dafni T, Luque FJ.: Pyrano[3,2-c]quinoline-6-chlorotacrine hybrids as a novel family of acetylcholinesterase- and beta-amyloid-directed anti-Alzheimer compounds. J Med Chem, Volume 52 (17), 2009";ChEMBL
Desipramine;MM00474;CNCCCN1c2ccccc2CCc2ccccc21;HCYAFALTSJYZDH-UHFFFAOYSA-N;266.39;3.53;2995;DB01151;DSM;CHEMBL72;BBB;EPAM;25;0;"<a href=https://www.ebi.ac.uk/chembl/assay_report_card/CHEMBL1052383/  target=_blank>CHEMBL1052383</a>";;;;;;;;;-4.61;;;;;;;;;;;;"Camps P, Formosa X, Galdeano C, Muñoz-Torrero D, Ramírez L, Gómez E, Isambert N, Lavilla R, Badia A, Clos MV, Bartolini M, Mancini F, Andrisano V, Arce MP, Rodríguez-Franco MI, Huertas O, Dafni T, Luque FJ.: Pyrano[3,2-c]quinoline-6-chlorotacrine hybrids as a novel family of acetylcholinesterase- and beta-amyloid-directed anti-Alzheimer compounds. J Med Chem, Volume 52 (17), 2009";ChEMBL
Desipramine;MM00474;CNCCCN1c2ccccc2CCc2ccccc21;HCYAFALTSJYZDH-UHFFFAOYSA-N;266.39;3.53;2995;DB01151;DSM;CHEMBL72;BBB;EPAM;25;0;"<a href=https://www.ebi.ac.uk/chembl/assay_report_card/CHEMBL1052384/  target=_blank>CHEMBL1052384</a>";;;;;;;;;-4.64;;;;;;;;;;;;"Camps P, Formosa X, Galdeano C, Muñoz-Torrero D, Ramírez L, Gómez E, Isambert N, Lavilla R, Badia A, Clos MV, Bartolini M, Mancini F, Andrisano V, Arce MP, Rodríguez-Franco MI, Huertas O, Dafni T, Luque FJ.: Pyrano[3,2-c]quinoline-6-chlorotacrine hybrids as a novel family of acetylcholinesterase- and beta-amyloid-directed anti-Alzheimer compounds. J Med Chem, Volume 52 (17), 2009";ChEMBL
Lidocaine;MM00092;CCN(CC)CC(=O)Nc1c(C)cccc1C;NNJVILVZKWQKPM-UHFFFAOYSA-N;234.34;2.58;3676;DB00281;LQZ;CHEMBL79;BBB;EPAM;25;0;"<a href=https://www.ebi.ac.uk/chembl/assay_report_card/CHEMBL3404446/  target=_blank>CHEMBL3404446</a>";;;;;;;;;-4.3;;;;;;;;;;;;"Guzior N, Bajda M, Rakoczy J, Brus B, Gobec S, Malawska B.: Isoindoline-1,3-dione derivatives targeting cholinesterases: design, synthesis and biological evaluation of potential anti-Alzheimer's agents. Bioorg Med Chem, Volume 23 (7), 2015";ChEMBL
Lidocaine;MM00092;CCN(CC)CC(=O)Nc1c(C)cccc1C;NNJVILVZKWQKPM-UHFFFAOYSA-N;234.34;2.58;3676;DB00281;LQZ;CHEMBL79;BBB;EPAM;25;0;"<a href=https://www.ebi.ac.uk/chembl/assay_report_card/CHEMBL3406583/  target=_blank>CHEMBL3406583</a>";;;;;;;;;-4.3;;;;;;;;;;;;"Więckowska A, Więckowski K, Bajda M, Brus B, Sałat K, Czerwińska P, Gobec S, Filipek B, Malawska B.: Synthesis of new N-benzylpiperidine derivatives as cholinesterase inhibitors with β-amyloid anti-aggregation properties and beneficial effects on memory in vivo. Bioorg Med Chem, Volume 23 (10), 2015";ChEMBL
Lidocaine;MM00092;CCN(CC)CC(=O)Nc1c(C)cccc1C;NNJVILVZKWQKPM-UHFFFAOYSA-N;234.34;2.58;3676;DB00281;LQZ;CHEMBL79;BBB;EPAM;25;0;"<a href=https://www.ebi.ac.uk/chembl/assay_report_card/CHEMBL3875283/  target=_blank>CHEMBL3875283</a>";;;;;;;;;-4.3;;;;;;;;;;;;"Więckowska A, Kołaczkowski M, Bucki A, Godyń J, Marcinkowska M, Więckowski K, Zaręba P, Siwek A, Kazek G, Głuch-Lutwin M, Mierzejewski P, Bienkowski P, Sienkiewicz-Jarosz H, Knez D, Wichur T, Gobec S, Malawska B.: Novel multi-target-directed ligands for Alzheimer's disease: Combining cholinesterase inhibitors and 5-HT<sub>6</sub> receptor antagonists. Design, synthesis and biological evaluation. Eur J Med Chem, Volume 124, 2016";ChEMBL
Enoxacin;MM00733;CCn1cc(C(=O)O)c(=O)c2cc(F)c(N3CCNCC3)nc21;IDYZIJYBMGIQMJ-UHFFFAOYSA-N;320.32;0.66;3229;DB00467;;CHEMBL826;BBB;EPAM;25;0;"<a href=https://www.ebi.ac.uk/chembl/assay_report_card/CHEMBL3787917/  target=_blank>CHEMBL3787917</a>";;;;;;;;;-6.33;;;;;;;;;;;;"Li Y, Qiang X, Luo L, Li Y, Xiao G, Tan Z, Deng Y.: Synthesis and evaluation of 4-hydroxyl aurone derivatives as multifunctional agents for the treatment of Alzheimer's disease. Bioorg Med Chem, Volume 24 (10), 2016";ChEMBL
Enoxacin;MM00733;CCn1cc(C(=O)O)c(=O)c2cc(F)c(N3CCNCC3)nc21;IDYZIJYBMGIQMJ-UHFFFAOYSA-N;320.32;0.66;3229;DB00467;;CHEMBL826;BBB;EPAM;25;0;"<a href=https://www.ebi.ac.uk/chembl/assay_report_card/CHEMBL3787919/  target=_blank>CHEMBL3787919</a>";;;;;;;;;-6.05;;;;;;;;;;;;"Li Y, Qiang X, Luo L, Li Y, Xiao G, Tan Z, Deng Y.: Synthesis and evaluation of 4-hydroxyl aurone derivatives as multifunctional agents for the treatment of Alzheimer's disease. Bioorg Med Chem, Volume 24 (10), 2016";ChEMBL
Enoxacin;MM00733;CCn1cc(C(=O)O)c(=O)c2cc(F)c(N3CCNCC3)nc21;IDYZIJYBMGIQMJ-UHFFFAOYSA-N;320.32;0.66;3229;DB00467;;CHEMBL826;BBB;EPAM;25;0;"<a href=https://www.ebi.ac.uk/chembl/assay_report_card/CHEMBL4035435/  target=_blank>CHEMBL4035435</a>";;;;;;;;;-6.33;;;;;;;;;;;;"Sang Z, Pan W, Wang K, Ma Q, Yu L, Liu W.: Design, synthesis and biological evaluation of 3,4-dihydro-2(1H)-quinoline-O-alkylamine derivatives as new multipotent cholinesterase/monoamine oxidase inhibitors for the treatment of Alzheimer's disease. Bioorg Med Chem, Volume 25 (12), 2017";ChEMBL
Enoxacin;MM00733;CCn1cc(C(=O)O)c(=O)c2cc(F)c(N3CCNCC3)nc21;IDYZIJYBMGIQMJ-UHFFFAOYSA-N;320.32;0.66;3229;DB00467;;CHEMBL826;BBB;EPAM;25;0;"<a href=https://www.ebi.ac.uk/chembl/assay_report_card/CHEMBL4188381/  target=_blank>CHEMBL4188381</a>";;;;;;;;;-6.05;;;;;;;;;;;;"Cao Z, Yang J, Xu R, Song Q, Zhang X, Liu H, Qiang X, Li Y, Tan Z, Deng Y.: Design, synthesis and evaluation of 4'-OH-flurbiprofen-chalcone hybrids as potential multifunctional agents for Alzheimer's disease treatment. Bioorg Med Chem, Volume 26 (5), 2018";ChEMBL
Enoxacin;MM00733;CCn1cc(C(=O)O)c(=O)c2cc(F)c(N3CCNCC3)nc21;IDYZIJYBMGIQMJ-UHFFFAOYSA-N;320.32;0.66;3229;DB00467;;CHEMBL826;BBB;EPAM;25;0;"<a href=https://www.ebi.ac.uk/chembl/assay_report_card/CHEMBL4188382/  target=_blank>CHEMBL4188382</a>";;;;;;;;;-6.26;;;;;;;;;;;;"Cao Z, Yang J, Xu R, Song Q, Zhang X, Liu H, Qiang X, Li Y, Tan Z, Deng Y.: Design, synthesis and evaluation of 4'-OH-flurbiprofen-chalcone hybrids as potential multifunctional agents for Alzheimer's disease treatment. Bioorg Med Chem, Volume 26 (5), 2018";ChEMBL
Enoxacin;MM00733;CCn1cc(C(=O)O)c(=O)c2cc(F)c(N3CCNCC3)nc21;IDYZIJYBMGIQMJ-UHFFFAOYSA-N;320.32;0.66;3229;DB00467;;CHEMBL826;BBB;EPAM;25;0;"<a href=https://www.ebi.ac.uk/chembl/assay_report_card/CHEMBL4221603/  target=_blank>CHEMBL4221603</a>";;;;;;;;;-6.33;;;;;;;;;;;;"Xu R, Xiao G, Li Y, Liu H, Song Q, Zhang X, Yang Z, Zheng Y, Tan Z, Deng Y.: Multifunctional 5,6-dimethoxybenzo[d]isothiazol-3(2H)-one-N-alkylbenzylamine derivatives with acetylcholinesterase, monoamine oxidases and β-amyloid aggregation inhibitory activities as potential agents against Alzheimer's disease. Bioorg Med Chem, Volume 26 (8), 2018";ChEMBL
Enoxacin;MM00733;CCn1cc(C(=O)O)c(=O)c2cc(F)c(N3CCNCC3)nc21;IDYZIJYBMGIQMJ-UHFFFAOYSA-N;320.32;0.66;3229;DB00467;;CHEMBL826;BBB;EPAM;25;0;"<a href=https://www.ebi.ac.uk/chembl/assay_report_card/CHEMBL4221605/  target=_blank>CHEMBL4221605</a>";;;;;;;;;-6.05;;;;;;;;;;;;"Xu R, Xiao G, Li Y, Liu H, Song Q, Zhang X, Yang Z, Zheng Y, Tan Z, Deng Y.: Multifunctional 5,6-dimethoxybenzo[d]isothiazol-3(2H)-one-N-alkylbenzylamine derivatives with acetylcholinesterase, monoamine oxidases and β-amyloid aggregation inhibitory activities as potential agents against Alzheimer's disease. Bioorg Med Chem, Volume 26 (8), 2018";ChEMBL
Enoxacin;MM00733;CCn1cc(C(=O)O)c(=O)c2cc(F)c(N3CCNCC3)nc21;IDYZIJYBMGIQMJ-UHFFFAOYSA-N;320.32;0.66;3229;DB00467;;CHEMBL826;BBB;EPAM;25;0;"<a href=https://www.ebi.ac.uk/chembl/assay_report_card/CHEMBL4048094/  target=_blank>CHEMBL4048094</a>";;;;;;;;;-6.33;;;;;;;;;;;;"Sang Z, Wang K, Wang H, Yu L, Wang H, Ma Q, Ye M, Han X, Liu W.: Design, synthesis and biological evaluation of phthalimide-alkylamine derivatives as balanced multifunctional cholinesterase and monoamine oxidase-B inhibitors for the treatment of Alzheimer's disease. Bioorg Med Chem Lett, Volume 27 (22), 2017";ChEMBL
Enoxacin;MM00733;CCn1cc(C(=O)O)c(=O)c2cc(F)c(N3CCNCC3)nc21;IDYZIJYBMGIQMJ-UHFFFAOYSA-N;320.32;0.66;3229;DB00467;;CHEMBL826;BBB;EPAM;25;0;"<a href=https://www.ebi.ac.uk/chembl/assay_report_card/CHEMBL4122775/  target=_blank>CHEMBL4122775</a>";;;;;;;;;-6.33;;;;;;;;;;;;"Wang T, Tang Y, Yang Y, An Q, Sang Z, Yang T, Liu P, Zhang T, Deng Y, Luo Y.: Discovery of novel anti-tuberculosis agents with pyrrolo[1,2-a]quinoxaline-based scaffold. Bioorg Med Chem Lett, Volume 28 (11), 2018";ChEMBL
Enoxacin;MM00733;CCn1cc(C(=O)O)c(=O)c2cc(F)c(N3CCNCC3)nc21;IDYZIJYBMGIQMJ-UHFFFAOYSA-N;320.32;0.66;3229;DB00467;;CHEMBL826;BBB;EPAM;25;0;"<a href=https://www.ebi.ac.uk/chembl/assay_report_card/CHEMBL4122776/  target=_blank>CHEMBL4122776</a>";;;;;;;;;-6.05;;;;;;;;;;;;"Wang T, Tang Y, Yang Y, An Q, Sang Z, Yang T, Liu P, Zhang T, Deng Y, Luo Y.: Discovery of novel anti-tuberculosis agents with pyrrolo[1,2-a]quinoxaline-based scaffold. Bioorg Med Chem Lett, Volume 28 (11), 2018";ChEMBL
Enoxacin;MM00733;CCn1cc(C(=O)O)c(=O)c2cc(F)c(N3CCNCC3)nc21;IDYZIJYBMGIQMJ-UHFFFAOYSA-N;320.32;0.66;3229;DB00467;;CHEMBL826;BBB;EPAM;25;0;"<a href=https://www.ebi.ac.uk/chembl/assay_report_card/CHEMBL4354765/  target=_blank>CHEMBL4354765</a>";;;;;;;;;-6.33;;;;;;;;;;;;"Zhu G, Wang K, Shi J, Zhang P, Yang D, Fan X, Zhang Z, Liu W, Sang Z.: The development of 2-acetylphenol-donepezil hybrids as multifunctional agents for the treatment of Alzheimer's disease. Bioorg Med Chem Lett, Volume 29 (19), 2019";ChEMBL
Enoxacin;MM00733;CCn1cc(C(=O)O)c(=O)c2cc(F)c(N3CCNCC3)nc21;IDYZIJYBMGIQMJ-UHFFFAOYSA-N;320.32;0.66;3229;DB00467;;CHEMBL826;BBB;EPAM;25;0;"<a href=https://www.ebi.ac.uk/chembl/assay_report_card/CHEMBL4354771/  target=_blank>CHEMBL4354771</a>";;;;;;;;;-6.05;;;;;;;;;;;;"Zhu G, Wang K, Shi J, Zhang P, Yang D, Fan X, Zhang Z, Liu W, Sang Z.: The development of 2-acetylphenol-donepezil hybrids as multifunctional agents for the treatment of Alzheimer's disease. Bioorg Med Chem Lett, Volume 29 (19), 2019";ChEMBL
Enoxacin;MM00733;CCn1cc(C(=O)O)c(=O)c2cc(F)c(N3CCNCC3)nc21;IDYZIJYBMGIQMJ-UHFFFAOYSA-N;320.32;0.66;3229;DB00467;;CHEMBL826;BBB;EPAM;25;0;"<a href=https://www.ebi.ac.uk/chembl/assay_report_card/CHEMBL1929957/  target=_blank>CHEMBL1929957</a>";;;;;;;;;-5.92;;;;;;;;;;;;"Redondo M, Zarruk JG, Ceballos P, Pérez DI, Pérez C, Perez-Castillo A, Moro MA, Brea J, Val C, Cadavid MI, Loza MI, Campillo NE, Martínez A, Gil C.: Neuroprotective efficacy of quinazoline type phosphodiesterase 7 inhibitors in cellular cultures and experimental stroke model. Eur J Med Chem, Volume 47 (1), 2012";ChEMBL
Enoxacin;MM00733;CCn1cc(C(=O)O)c(=O)c2cc(F)c(N3CCNCC3)nc21;IDYZIJYBMGIQMJ-UHFFFAOYSA-N;320.32;0.66;3229;DB00467;;CHEMBL826;BBB;EPAM;25;0;"<a href=https://www.ebi.ac.uk/chembl/assay_report_card/CHEMBL4011777/  target=_blank>CHEMBL4011777</a>";;;;;;;;;-6.33;;;;;;;;;;;;"Sang Z, Pan W, Wang K, Ma Q, Yu L, Yang Y, Bai P, Leng C, Xu Q, Li X, Tan Z, Liu W.: Design, synthesis and evaluation of novel ferulic acid-O-alkylamine derivatives as potential multifunctional agents for the treatment of Alzheimer's disease. Eur J Med Chem, Volume 130, 2017";ChEMBL
Enoxacin;MM00733;CCn1cc(C(=O)O)c(=O)c2cc(F)c(N3CCNCC3)nc21;IDYZIJYBMGIQMJ-UHFFFAOYSA-N;320.32;0.66;3229;DB00467;;CHEMBL826;BBB;EPAM;25;0;"<a href=https://www.ebi.ac.uk/chembl/assay_report_card/CHEMBL4142614/  target=_blank>CHEMBL4142614</a>";;;;;;;;;-6.15;;;;;;;;;;;;"Xu YX, Wang H, Li XK, Dong SN, Liu WW, Gong Q, Wang TD, Tang Y, Zhu J, Li J, Zhang HY, Mao F.: Discovery of novel propargylamine-modified 4-aminoalkyl imidazole substituted pyrimidinylthiourea derivatives as multifunctional agents for the treatment of Alzheimer's disease. Eur J Med Chem, Volume 143, 2018";ChEMBL
Enoxacin;MM00733;CCn1cc(C(=O)O)c(=O)c2cc(F)c(N3CCNCC3)nc21;IDYZIJYBMGIQMJ-UHFFFAOYSA-N;320.32;0.66;3229;DB00467;;CHEMBL826;BBB;EPAM;25;0;"<a href=https://www.ebi.ac.uk/chembl/assay_report_card/CHEMBL4314243/  target=_blank>CHEMBL4314243</a>";;;;;;;;;-6.33;;;;;;;;;;;;"Bai P, Wang K, Zhang P, Shi J, Cheng X, Zhang Q, Zheng C, Cheng Y, Yang J, Lu X, Sang Z.: Development of chalcone-O-alkylamine derivatives as multifunctional agents against Alzheimer's disease. Eur J Med Chem, Volume 183, 2019";ChEMBL
Enoxacin;MM00733;CCn1cc(C(=O)O)c(=O)c2cc(F)c(N3CCNCC3)nc21;IDYZIJYBMGIQMJ-UHFFFAOYSA-N;320.32;0.66;3229;DB00467;;CHEMBL826;BBB;EPAM;25;0;"<a href=https://www.ebi.ac.uk/chembl/assay_report_card/CHEMBL4314272/  target=_blank>CHEMBL4314272</a>";;;;;;;;;-6.05;;;;;;;;;;;;"Bai P, Wang K, Zhang P, Shi J, Cheng X, Zhang Q, Zheng C, Cheng Y, Yang J, Lu X, Sang Z.: Development of chalcone-O-alkylamine derivatives as multifunctional agents against Alzheimer's disease. Eur J Med Chem, Volume 183, 2019";ChEMBL
Enoxacin;MM00733;CCn1cc(C(=O)O)c(=O)c2cc(F)c(N3CCNCC3)nc21;IDYZIJYBMGIQMJ-UHFFFAOYSA-N;320.32;0.66;3229;DB00467;;CHEMBL826;BBB;EPAM;25;0;"<a href=https://www.ebi.ac.uk/chembl/assay_report_card/CHEMBL3587320/  target=_blank>CHEMBL3587320</a>";;;;;;;;;-6.05;;;;;;;;;;;;"Cahlíková L, Pérez DI, Štěpánková Š, Chlebek J, Šafratová M, Hošt'álková A, Opletal L.: In Vitro Inhibitory Effects of 8-O-Demethylmaritidine and Undulatine on Acetylcholinesterase and Their Predicted Penetration across the Blood-Brain Barrier. J Nat Prod, Volume 78 (6), 2015";ChEMBL
Enoxacin;MM00733;CCn1cc(C(=O)O)c(=O)c2cc(F)c(N3CCNCC3)nc21;IDYZIJYBMGIQMJ-UHFFFAOYSA-N;320.32;0.66;3229;DB00467;;CHEMBL826;BBB;EPAM;25;0;"<a href=https://www.ebi.ac.uk/chembl/assay_report_card/CHEMBL3587321/  target=_blank>CHEMBL3587321</a>";;;;;;;;;-6.7;;;;;;;;;;;;"Cahlíková L, Pérez DI, Štěpánková Š, Chlebek J, Šafratová M, Hošt'álková A, Opletal L.: In Vitro Inhibitory Effects of 8-O-Demethylmaritidine and Undulatine on Acetylcholinesterase and Their Predicted Penetration across the Blood-Brain Barrier. J Nat Prod, Volume 78 (6), 2015";ChEMBL
Enoxacin;MM00733;CCn1cc(C(=O)O)c(=O)c2cc(F)c(N3CCNCC3)nc21;IDYZIJYBMGIQMJ-UHFFFAOYSA-N;320.32;0.66;3229;DB00467;;CHEMBL826;BBB;EPAM;25;0;"<a href=https://www.ebi.ac.uk/chembl/assay_report_card/CHEMBL1052382/  target=_blank>CHEMBL1052382</a>";;;;;;;;;-6.05;;;;;;;;;;;;"Camps P, Formosa X, Galdeano C, Muñoz-Torrero D, Ramírez L, Gómez E, Isambert N, Lavilla R, Badia A, Clos MV, Bartolini M, Mancini F, Andrisano V, Arce MP, Rodríguez-Franco MI, Huertas O, Dafni T, Luque FJ.: Pyrano[3,2-c]quinoline-6-chlorotacrine hybrids as a novel family of acetylcholinesterase- and beta-amyloid-directed anti-Alzheimer compounds. J Med Chem, Volume 52 (17), 2009";ChEMBL
Norfloxacin;MM00768;CCn1cc(C(=O)O)c(=O)c2cc(F)c(N3CCNCC3)cc21;OGJPXUAPXNRGGI-UHFFFAOYSA-N;319.34;1.27;4539;DB01059;;CHEMBL9;BBB;EPAM;25;0;"<a href=https://www.ebi.ac.uk/chembl/assay_report_card/CHEMBL3366747/  target=_blank>CHEMBL3366747</a>";;;;;;;;;-6.05;;;;;;;;;;;;"Pérez-Areales FJ, Di Pietro O, Espargaró A, Vallverdú-Queralt A, Galdeano C, Ragusa IM, Viayna E, Guillou C, Clos MV, Pérez B, Sabaté R, Lamuela-Raventós RM, Luque FJ, Muñoz-Torrero D.: Shogaol-huprine hybrids: dual antioxidant and anticholinesterase agents with β-amyloid and tau anti-aggregating properties. Bioorg Med Chem, Volume 22 (19), 2014";ChEMBL
Norfloxacin;MM00768;CCn1cc(C(=O)O)c(=O)c2cc(F)c(N3CCNCC3)cc21;OGJPXUAPXNRGGI-UHFFFAOYSA-N;319.34;1.27;4539;DB01059;;CHEMBL9;BBB;EPAM;25;0;"<a href=https://www.ebi.ac.uk/chembl/assay_report_card/CHEMBL3787917/  target=_blank>CHEMBL3787917</a>";;;;;;;;;-6.38;;;;;;;;;;;;"Li Y, Qiang X, Luo L, Li Y, Xiao G, Tan Z, Deng Y.: Synthesis and evaluation of 4-hydroxyl aurone derivatives as multifunctional agents for the treatment of Alzheimer's disease. Bioorg Med Chem, Volume 24 (10), 2016";ChEMBL
Norfloxacin;MM00768;CCn1cc(C(=O)O)c(=O)c2cc(F)c(N3CCNCC3)cc21;OGJPXUAPXNRGGI-UHFFFAOYSA-N;319.34;1.27;4539;DB01059;;CHEMBL9;BBB;EPAM;25;0;"<a href=https://www.ebi.ac.uk/chembl/assay_report_card/CHEMBL3787919/  target=_blank>CHEMBL3787919</a>";;;;;;;;;-7;;;;;;;;;;;;"Li Y, Qiang X, Luo L, Li Y, Xiao G, Tan Z, Deng Y.: Synthesis and evaluation of 4-hydroxyl aurone derivatives as multifunctional agents for the treatment of Alzheimer's disease. Bioorg Med Chem, Volume 24 (10), 2016";ChEMBL
Norfloxacin;MM00768;CCn1cc(C(=O)O)c(=O)c2cc(F)c(N3CCNCC3)cc21;OGJPXUAPXNRGGI-UHFFFAOYSA-N;319.34;1.27;4539;DB01059;;CHEMBL9;BBB;EPAM;25;0;"<a href=https://www.ebi.ac.uk/chembl/assay_report_card/CHEMBL4035435/  target=_blank>CHEMBL4035435</a>";;;;;;;;;-7;;;;;;;;;;;;"Sang Z, Pan W, Wang K, Ma Q, Yu L, Liu W.: Design, synthesis and biological evaluation of 3,4-dihydro-2(1H)-quinoline-O-alkylamine derivatives as new multipotent cholinesterase/monoamine oxidase inhibitors for the treatment of Alzheimer's disease. Bioorg Med Chem, Volume 25 (12), 2017";ChEMBL
Norfloxacin;MM00768;CCn1cc(C(=O)O)c(=O)c2cc(F)c(N3CCNCC3)cc21;OGJPXUAPXNRGGI-UHFFFAOYSA-N;319.34;1.27;4539;DB01059;;CHEMBL9;BBB;EPAM;25;0;"<a href=https://www.ebi.ac.uk/chembl/assay_report_card/CHEMBL4188381/  target=_blank>CHEMBL4188381</a>";;;;;;;;;-7;;;;;;;;;;;;"Cao Z, Yang J, Xu R, Song Q, Zhang X, Liu H, Qiang X, Li Y, Tan Z, Deng Y.: Design, synthesis and evaluation of 4'-OH-flurbiprofen-chalcone hybrids as potential multifunctional agents for Alzheimer's disease treatment. Bioorg Med Chem, Volume 26 (5), 2018";ChEMBL
Norfloxacin;MM00768;CCn1cc(C(=O)O)c(=O)c2cc(F)c(N3CCNCC3)cc21;OGJPXUAPXNRGGI-UHFFFAOYSA-N;319.34;1.27;4539;DB01059;;CHEMBL9;BBB;EPAM;25;0;"<a href=https://www.ebi.ac.uk/chembl/assay_report_card/CHEMBL4188382/  target=_blank>CHEMBL4188382</a>";;;;;;;;;-6.48;;;;;;;;;;;;"Cao Z, Yang J, Xu R, Song Q, Zhang X, Liu H, Qiang X, Li Y, Tan Z, Deng Y.: Design, synthesis and evaluation of 4'-OH-flurbiprofen-chalcone hybrids as potential multifunctional agents for Alzheimer's disease treatment. Bioorg Med Chem, Volume 26 (5), 2018";ChEMBL
Norfloxacin;MM00768;CCn1cc(C(=O)O)c(=O)c2cc(F)c(N3CCNCC3)cc21;OGJPXUAPXNRGGI-UHFFFAOYSA-N;319.34;1.27;4539;DB01059;;CHEMBL9;BBB;EPAM;25;0;"<a href=https://www.ebi.ac.uk/chembl/assay_report_card/CHEMBL4221603/  target=_blank>CHEMBL4221603</a>";;;;;;;;;-6.38;;;;;;;;;;;;"Xu R, Xiao G, Li Y, Liu H, Song Q, Zhang X, Yang Z, Zheng Y, Tan Z, Deng Y.: Multifunctional 5,6-dimethoxybenzo[d]isothiazol-3(2H)-one-N-alkylbenzylamine derivatives with acetylcholinesterase, monoamine oxidases and β-amyloid aggregation inhibitory activities as potential agents against Alzheimer's disease. Bioorg Med Chem, Volume 26 (8), 2018";ChEMBL
Norfloxacin;MM00768;CCn1cc(C(=O)O)c(=O)c2cc(F)c(N3CCNCC3)cc21;OGJPXUAPXNRGGI-UHFFFAOYSA-N;319.34;1.27;4539;DB01059;;CHEMBL9;BBB;EPAM;25;0;"<a href=https://www.ebi.ac.uk/chembl/assay_report_card/CHEMBL4221605/  target=_blank>CHEMBL4221605</a>";;;;;;;;;-7;;;;;;;;;;;;"Xu R, Xiao G, Li Y, Liu H, Song Q, Zhang X, Yang Z, Zheng Y, Tan Z, Deng Y.: Multifunctional 5,6-dimethoxybenzo[d]isothiazol-3(2H)-one-N-alkylbenzylamine derivatives with acetylcholinesterase, monoamine oxidases and β-amyloid aggregation inhibitory activities as potential agents against Alzheimer's disease. Bioorg Med Chem, Volume 26 (8), 2018";ChEMBL
Norfloxacin;MM00768;CCn1cc(C(=O)O)c(=O)c2cc(F)c(N3CCNCC3)cc21;OGJPXUAPXNRGGI-UHFFFAOYSA-N;319.34;1.27;4539;DB01059;;CHEMBL9;BBB;EPAM;25;0;"<a href=https://www.ebi.ac.uk/chembl/assay_report_card/CHEMBL4048094/  target=_blank>CHEMBL4048094</a>";;;;;;;;;-6.38;;;;;;;;;;;;"Sang Z, Wang K, Wang H, Yu L, Wang H, Ma Q, Ye M, Han X, Liu W.: Design, synthesis and biological evaluation of phthalimide-alkylamine derivatives as balanced multifunctional cholinesterase and monoamine oxidase-B inhibitors for the treatment of Alzheimer's disease. Bioorg Med Chem Lett, Volume 27 (22), 2017";ChEMBL
Norfloxacin;MM00768;CCn1cc(C(=O)O)c(=O)c2cc(F)c(N3CCNCC3)cc21;OGJPXUAPXNRGGI-UHFFFAOYSA-N;319.34;1.27;4539;DB01059;;CHEMBL9;BBB;EPAM;25;0;"<a href=https://www.ebi.ac.uk/chembl/assay_report_card/CHEMBL4122775/  target=_blank>CHEMBL4122775</a>";;;;;;;;;-6.38;;;;;;;;;;;;"Wang T, Tang Y, Yang Y, An Q, Sang Z, Yang T, Liu P, Zhang T, Deng Y, Luo Y.: Discovery of novel anti-tuberculosis agents with pyrrolo[1,2-a]quinoxaline-based scaffold. Bioorg Med Chem Lett, Volume 28 (11), 2018";ChEMBL
Norfloxacin;MM00768;CCn1cc(C(=O)O)c(=O)c2cc(F)c(N3CCNCC3)cc21;OGJPXUAPXNRGGI-UHFFFAOYSA-N;319.34;1.27;4539;DB01059;;CHEMBL9;BBB;EPAM;25;0;"<a href=https://www.ebi.ac.uk/chembl/assay_report_card/CHEMBL4122776/  target=_blank>CHEMBL4122776</a>";;;;;;;;;-7;;;;;;;;;;;;"Wang T, Tang Y, Yang Y, An Q, Sang Z, Yang T, Liu P, Zhang T, Deng Y, Luo Y.: Discovery of novel anti-tuberculosis agents with pyrrolo[1,2-a]quinoxaline-based scaffold. Bioorg Med Chem Lett, Volume 28 (11), 2018";ChEMBL
Norfloxacin;MM00768;CCn1cc(C(=O)O)c(=O)c2cc(F)c(N3CCNCC3)cc21;OGJPXUAPXNRGGI-UHFFFAOYSA-N;319.34;1.27;4539;DB01059;;CHEMBL9;BBB;EPAM;25;0;"<a href=https://www.ebi.ac.uk/chembl/assay_report_card/CHEMBL4354765/  target=_blank>CHEMBL4354765</a>";;;;;;;;;-6.38;;;;;;;;;;;;"Zhu G, Wang K, Shi J, Zhang P, Yang D, Fan X, Zhang Z, Liu W, Sang Z.: The development of 2-acetylphenol-donepezil hybrids as multifunctional agents for the treatment of Alzheimer's disease. Bioorg Med Chem Lett, Volume 29 (19), 2019";ChEMBL
Norfloxacin;MM00768;CCn1cc(C(=O)O)c(=O)c2cc(F)c(N3CCNCC3)cc21;OGJPXUAPXNRGGI-UHFFFAOYSA-N;319.34;1.27;4539;DB01059;;CHEMBL9;BBB;EPAM;25;0;"<a href=https://www.ebi.ac.uk/chembl/assay_report_card/CHEMBL4354771/  target=_blank>CHEMBL4354771</a>";;;;;;;;;-7;;;;;;;;;;;;"Zhu G, Wang K, Shi J, Zhang P, Yang D, Fan X, Zhang Z, Liu W, Sang Z.: The development of 2-acetylphenol-donepezil hybrids as multifunctional agents for the treatment of Alzheimer's disease. Bioorg Med Chem Lett, Volume 29 (19), 2019";ChEMBL
Norfloxacin;MM00768;CCn1cc(C(=O)O)c(=O)c2cc(F)c(N3CCNCC3)cc21;OGJPXUAPXNRGGI-UHFFFAOYSA-N;319.34;1.27;4539;DB01059;;CHEMBL9;BBB;EPAM;25;0;"<a href=https://www.ebi.ac.uk/chembl/assay_report_card/CHEMBL3123849/  target=_blank>CHEMBL3123849</a>";;;;;;;;;-7;;;;;;;;;;;;"Di Pietro O, Viayna E, Vicente-García E, Bartolini M, Ramón R, Juárez-Jiménez J, Clos MV, Pérez B, Andrisano V, Luque FJ, Lavilla R, Muñoz-Torrero D.: 1,2,3,4-Tetrahydrobenzo[h][1,6]naphthyridines as a new family of potent peripheral-to-midgorge-site inhibitors of acetylcholinesterase: synthesis, pharmacological evaluation and mechanistic studies. Eur J Med Chem, Volume 73, 2014";ChEMBL
Norfloxacin;MM00768;CCn1cc(C(=O)O)c(=O)c2cc(F)c(N3CCNCC3)cc21;OGJPXUAPXNRGGI-UHFFFAOYSA-N;319.34;1.27;4539;DB01059;;CHEMBL9;BBB;EPAM;25;0;"<a href=https://www.ebi.ac.uk/chembl/assay_report_card/CHEMBL4011777/  target=_blank>CHEMBL4011777</a>";;;;;;;;;-6.38;;;;;;;;;;;;"Sang Z, Pan W, Wang K, Ma Q, Yu L, Yang Y, Bai P, Leng C, Xu Q, Li X, Tan Z, Liu W.: Design, synthesis and evaluation of novel ferulic acid-O-alkylamine derivatives as potential multifunctional agents for the treatment of Alzheimer's disease. Eur J Med Chem, Volume 130, 2017";ChEMBL
Norfloxacin;MM00768;CCn1cc(C(=O)O)c(=O)c2cc(F)c(N3CCNCC3)cc21;OGJPXUAPXNRGGI-UHFFFAOYSA-N;319.34;1.27;4539;DB01059;;CHEMBL9;BBB;EPAM;25;0;"<a href=https://www.ebi.ac.uk/chembl/assay_report_card/CHEMBL4307308/  target=_blank>CHEMBL4307308</a>";;;;;;;;;-6.05;;;;;;;;;;;;"Pérez-Areales FJ, Turcu AL, Barniol-Xicota M, Pont C, Pivetta D, Espargaró A, Bartolini M, De Simone A, Andrisano V, Pérez B, Sabate R, Sureda FX, Vázquez S, Muñoz-Torrero D.: A novel class of multitarget anti-Alzheimer benzohomoadamantane‒chlorotacrine hybrids modulating cholinesterases and glutamate NMDA receptors. Eur J Med Chem, Volume 180, 2019";ChEMBL
Norfloxacin;MM00768;CCn1cc(C(=O)O)c(=O)c2cc(F)c(N3CCNCC3)cc21;OGJPXUAPXNRGGI-UHFFFAOYSA-N;319.34;1.27;4539;DB01059;;CHEMBL9;BBB;EPAM;25;0;"<a href=https://www.ebi.ac.uk/chembl/assay_report_card/CHEMBL4307309/  target=_blank>CHEMBL4307309</a>";;;;;;;;;-7;;;;;;;;;;;;"Pérez-Areales FJ, Turcu AL, Barniol-Xicota M, Pont C, Pivetta D, Espargaró A, Bartolini M, De Simone A, Andrisano V, Pérez B, Sabate R, Sureda FX, Vázquez S, Muñoz-Torrero D.: A novel class of multitarget anti-Alzheimer benzohomoadamantane‒chlorotacrine hybrids modulating cholinesterases and glutamate NMDA receptors. Eur J Med Chem, Volume 180, 2019";ChEMBL
Norfloxacin;MM00768;CCn1cc(C(=O)O)c(=O)c2cc(F)c(N3CCNCC3)cc21;OGJPXUAPXNRGGI-UHFFFAOYSA-N;319.34;1.27;4539;DB01059;;CHEMBL9;BBB;EPAM;25;0;"<a href=https://www.ebi.ac.uk/chembl/assay_report_card/CHEMBL4314243/  target=_blank>CHEMBL4314243</a>";;;;;;;;;-6.38;;;;;;;;;;;;"Bai P, Wang K, Zhang P, Shi J, Cheng X, Zhang Q, Zheng C, Cheng Y, Yang J, Lu X, Sang Z.: Development of chalcone-O-alkylamine derivatives as multifunctional agents against Alzheimer's disease. Eur J Med Chem, Volume 183, 2019";ChEMBL
Norfloxacin;MM00768;CCn1cc(C(=O)O)c(=O)c2cc(F)c(N3CCNCC3)cc21;OGJPXUAPXNRGGI-UHFFFAOYSA-N;319.34;1.27;4539;DB01059;;CHEMBL9;BBB;EPAM;25;0;"<a href=https://www.ebi.ac.uk/chembl/assay_report_card/CHEMBL4314272/  target=_blank>CHEMBL4314272</a>";;;;;;;;;-7;;;;;;;;;;;;"Bai P, Wang K, Zhang P, Shi J, Cheng X, Zhang Q, Zheng C, Cheng Y, Yang J, Lu X, Sang Z.: Development of chalcone-O-alkylamine derivatives as multifunctional agents against Alzheimer's disease. Eur J Med Chem, Volume 183, 2019";ChEMBL
Progesterone;MM00198;CC(=O)C1CCC2C3CCC4=CC(=O)CCC4(C)C3CCC12C;RJKFOVLPORLFTN-UHFFFAOYSA-N;314.47;4.72;5994;DB00396;STR;CHEMBL103;BBB;EPAM;25;0;"ph = 7.4, <a href=https://www.ebi.ac.uk/chembl/assay_report_card/CHEMBL3871993/  target=_blank>CHEMBL3871993</a>";;;;;;;;;-4;;;;;;;;;;;;"Košak U, Knez D, Coquelle N, Brus B, Pišlar A, Nachon F, Brazzolotto X, Kos J, Colletier JP, Gobec S.: N-Propargylpiperidines with naphthalene-2-carboxamide or naphthalene-2-sulfonamide moieties: Potential multifunctional anti-Alzheimer's agents. Bioorg Med Chem, Volume 25 (2), 2017";ChEMBL
Progesterone;MM00198;CC(=O)C1CCC2C3CCC4=CC(=O)CCC4(C)C3CCC12C;RJKFOVLPORLFTN-UHFFFAOYSA-N;314.47;4.72;5994;DB00396;STR;CHEMBL103;BBB;EPAM;25;0;"ph = 7.4, <a href=https://www.ebi.ac.uk/chembl/assay_report_card/CHEMBL4350094/  target=_blank>CHEMBL4350094</a>";;;;;;;;;-5.03;;;;;;;;;;;;"Srivastava P, Tripathi PN, Sharma P, Shrivastava SK.: Design, synthesis, and evaluation of novel N-(4-phenoxybenzyl)aniline derivatives targeting acetylcholinesterase, β-amyloid aggregation and oxidative stress to treat Alzheimer's disease. Bioorg Med Chem, Volume 27 (16), 2019";ChEMBL
Progesterone;MM00198;CC(=O)C1CCC2C3CCC4=CC(=O)CCC4(C)C3CCC12C;RJKFOVLPORLFTN-UHFFFAOYSA-N;314.47;4.72;5994;DB00396;STR;CHEMBL103;BBB;EPAM;25;0;"ph = 7.4, <a href=https://www.ebi.ac.uk/chembl/assay_report_card/CHEMBL4050058/  target=_blank>CHEMBL4050058</a>";;;;;;;;;-5.03;;;;;;;;;;;;"Monjas L, Arce MP, León R, Egea J, Pérez C, Villarroya M, López MG, Gil C, Conde S, Rodríguez-Franco MI.: Enzymatic and solid-phase synthesis of new donepezil-based L- and d-glutamic acid derivatives and their pharmacological evaluation in models related to Alzheimer's disease and cerebral ischemia. Eur J Med Chem, Volume 130, 2017";ChEMBL
Progesterone;MM00198;CC(=O)C1CCC2C3CCC4=CC(=O)CCC4(C)C3CCC12C;RJKFOVLPORLFTN-UHFFFAOYSA-N;314.47;4.72;5994;DB00396;STR;CHEMBL103;BBB;EPAM;25;0;"ph = 7.4, <a href=https://www.ebi.ac.uk/chembl/assay_report_card/CHEMBL4049964/  target=_blank>CHEMBL4049964</a>";;;;;;;;;-5.03;;;;;;;;;;;;"Xia CL, Wang N, Guo QL, Liu ZQ, Wu JQ, Huang SL, Ou TM, Tan JH, Wang HG, Li D, Huang ZS.: Design, synthesis and evaluation of 2-arylethenyl-N-methylquinolinium derivatives as effective multifunctional agents for Alzheimer's disease treatment. Eur J Med Chem, Volume 130, 2017";ChEMBL
Progesterone;MM00198;CC(=O)C1CCC2C3CCC4=CC(=O)CCC4(C)C3CCC12C;RJKFOVLPORLFTN-UHFFFAOYSA-N;314.47;4.72;5994;DB00396;STR;CHEMBL103;BBB;EPAM;25;0;"ph = 7.4, <a href=https://www.ebi.ac.uk/chembl/assay_report_card/CHEMBL4142615/  target=_blank>CHEMBL4142615</a>";;;;;;;;;-5.03;;;;;;;;;;;;"Xu YX, Wang H, Li XK, Dong SN, Liu WW, Gong Q, Wang TD, Tang Y, Zhu J, Li J, Zhang HY, Mao F.: Discovery of novel propargylamine-modified 4-aminoalkyl imidazole substituted pyrimidinylthiourea derivatives as multifunctional agents for the treatment of Alzheimer's disease. Eur J Med Chem, Volume 143, 2018";ChEMBL
Progesterone;MM00198;CC(=O)C1CCC2C3CCC4=CC(=O)CCC4(C)C3CCC12C;RJKFOVLPORLFTN-UHFFFAOYSA-N;314.47;4.72;5994;DB00396;STR;CHEMBL103;BBB;EPAM;25;0;"ph = 7.4, <a href=https://www.ebi.ac.uk/chembl/assay_report_card/CHEMBL4330471/  target=_blank>CHEMBL4330471</a>";;;;;;;;;-4.86;;;;;;;;;;;;"Srivastava P, Tripathi PN, Sharma P, Rai SN, Singh SP, Srivastava RK, Shankar S, Shrivastava SK.: Design and development of some phenyl benzoxazole derivatives as a potent acetylcholinesterase inhibitor with antioxidant property to enhance learning and memory. Eur J Med Chem, Volume 163, 2019";ChEMBL
Carbamazepine;MM00341;NC(=O)N1c2ccccc2C=Cc2ccccc21;FFGPTBGBLSHEPO-UHFFFAOYSA-N;236.27;3.39;2554;DB00564;;CHEMBL108;BBB;EPAM;25;0;"ph = 7.4, <a href=https://www.ebi.ac.uk/chembl/assay_report_card/CHEMBL4198453/  target=_blank>CHEMBL4198453</a>";;;;;;;;;-4.94;;;;;;;;;;;;"D'Acunto CW, Kaplánek R, Gbelcová H, Kejík Z, Bříza T, Vasina L, Havlík M, Ruml T, Král V.: Metallomics for Alzheimer's disease treatment: Use of new generation of chelators combining metal-cation binding and transport properties. Eur J Med Chem, Volume 150, 2018";ChEMBL
MM471007;MM471007;CCCCCCOC(=O)C(CCC(=O)NCCC1CCN(Cc2ccccc2)CC1)NC(=O)c1ccccc1;XFEJPTLRXOZZDA-LJAQVGFWSA-N;535.73;5.11;44550725;;;CHEMBL1080631;BBB;EPAM;25;0;"ph = 7.4, <a href=https://www.ebi.ac.uk/chembl/assay_report_card/CHEMBL4050057/  target=_blank>CHEMBL4050057</a>";;;;;;;;;-4.73;;;;;;;;;;;;"Monjas L, Arce MP, León R, Egea J, Pérez C, Villarroya M, López MG, Gil C, Conde S, Rodríguez-Franco MI.: Enzymatic and solid-phase synthesis of new donepezil-based L- and d-glutamic acid derivatives and their pharmacological evaluation in models related to Alzheimer's disease and cerebral ischemia. Eur J Med Chem, Volume 130, 2017";ChEMBL
Imipramine;MM00504;CN(C)CCCN1c2ccccc2CCc2ccccc21;BCGWQEUPMDMJNV-UHFFFAOYSA-N;280.42;3.88;3696;DB00458;IXX;CHEMBL11;BBB;EPAM;25;0;"ph = 7.4, <a href=https://www.ebi.ac.uk/chembl/assay_report_card/CHEMBL4050057/  target=_blank>CHEMBL4050057</a>";;;;;;;;;-4.84;;;;;;;;;;;;"Monjas L, Arce MP, León R, Egea J, Pérez C, Villarroya M, López MG, Gil C, Conde S, Rodríguez-Franco MI.: Enzymatic and solid-phase synthesis of new donepezil-based L- and d-glutamic acid derivatives and their pharmacological evaluation in models related to Alzheimer's disease and cerebral ischemia. Eur J Med Chem, Volume 130, 2017";ChEMBL
Imipramine;MM00504;CN(C)CCCN1c2ccccc2CCc2ccccc21;BCGWQEUPMDMJNV-UHFFFAOYSA-N;280.42;3.88;3696;DB00458;IXX;CHEMBL11;BBB;EPAM;25;0;"ph = 7.4, <a href=https://www.ebi.ac.uk/chembl/assay_report_card/CHEMBL4050058/  target=_blank>CHEMBL4050058</a>";;;;;;;;;-4.89;;;;;;;;;;;;"Monjas L, Arce MP, León R, Egea J, Pérez C, Villarroya M, López MG, Gil C, Conde S, Rodríguez-Franco MI.: Enzymatic and solid-phase synthesis of new donepezil-based L- and d-glutamic acid derivatives and their pharmacological evaluation in models related to Alzheimer's disease and cerebral ischemia. Eur J Med Chem, Volume 130, 2017";ChEMBL
Imipramine;MM00504;CN(C)CCCN1c2ccccc2CCc2ccccc21;BCGWQEUPMDMJNV-UHFFFAOYSA-N;280.42;3.88;3696;DB00458;IXX;CHEMBL11;BBB;EPAM;25;0;"ph = 7.4, <a href=https://www.ebi.ac.uk/chembl/assay_report_card/CHEMBL4011778/  target=_blank>CHEMBL4011778</a>";;;;;;;;;-4.89;;;;;;;;;;;;"Sang Z, Pan W, Wang K, Ma Q, Yu L, Yang Y, Bai P, Leng C, Xu Q, Li X, Tan Z, Liu W.: Design, synthesis and evaluation of novel ferulic acid-O-alkylamine derivatives as potential multifunctional agents for the treatment of Alzheimer's disease. Eur J Med Chem, Volume 130, 2017";ChEMBL
Corticosterone;MM00346;CC12CCC(=O)C=C1CCC1C2C(O)CC2(C)C(C(=O)CO)CCC12;OMFXVFTZEKFJBZ-UHFFFAOYSA-N;346.47;2.67;5753;DB04652;C0R;CHEMBL110739;BBB;EPAM;25;0;"ph = 7.4, <a href=https://www.ebi.ac.uk/chembl/assay_report_card/CHEMBL3871993/  target=_blank>CHEMBL3871993</a>";;;;;;;;;-5;;;;;;;;;;;;"Košak U, Knez D, Coquelle N, Brus B, Pišlar A, Nachon F, Brazzolotto X, Kos J, Colletier JP, Gobec S.: N-Propargylpiperidines with naphthalene-2-carboxamide or naphthalene-2-sulfonamide moieties: Potential multifunctional anti-Alzheimer's agents. Bioorg Med Chem, Volume 25 (2), 2017";ChEMBL
Corticosterone;MM00346;CC12CCC(=O)C=C1CCC1C2C(O)CC2(C)C(C(=O)CO)CCC12;OMFXVFTZEKFJBZ-UHFFFAOYSA-N;346.47;2.67;5753;DB04652;C0R;CHEMBL110739;BBB;EPAM;25;0;"ph = 7.4, <a href=https://www.ebi.ac.uk/chembl/assay_report_card/CHEMBL4055314/  target=_blank>CHEMBL4055314</a>";;;;;;;;;-5.29;;;;;;;;;;;;"Li F, Wu JJ, Wang J, Yang XL, Cai P, Liu QH, Kong LY, Wang XB.: Synthesis and pharmacological evaluation of novel chromone derivatives as balanced multifunctional agents against Alzheimer's disease. Bioorg Med Chem, Volume 25 (14), 2017";ChEMBL
Corticosterone;MM00346;CC12CCC(=O)C=C1CCC1C2C(O)CC2(C)C(C(=O)CO)CCC12;OMFXVFTZEKFJBZ-UHFFFAOYSA-N;346.47;2.67;5753;DB04652;C0R;CHEMBL110739;BBB;EPAM;25;0;"ph = 7.4, <a href=https://www.ebi.ac.uk/chembl/assay_report_card/CHEMBL4179548/  target=_blank>CHEMBL4179548</a>";;;;;;;;;-5.29;;;;;;;;;;;;"Yang HL, Cai P, Liu QH, Yang XL, Fang SQ, Tang YW, Wang C, Wang XB, Kong LY.: Design, synthesis, and evaluation of salicyladimine derivatives as multitarget-directed ligands against Alzheimer's disease. Bioorg Med Chem, Volume 25 (21), 2017";ChEMBL
Corticosterone;MM00346;CC12CCC(=O)C=C1CCC1C2C(O)CC2(C)C(C(=O)CO)CCC12;OMFXVFTZEKFJBZ-UHFFFAOYSA-N;346.47;2.67;5753;DB04652;C0R;CHEMBL110739;BBB;EPAM;25;0;"ph = 7.4, <a href=https://www.ebi.ac.uk/chembl/assay_report_card/CHEMBL3795357/  target=_blank>CHEMBL3795357</a>";;;;;;;;;-4.6;;;;;;;;;;;;"Jourdan JP, Since M, El Kihel L, Lecoutey C, Corvaisier S, Legay R, Sopkova-de Oliveira Santos J, Cresteil T, Malzert-Fréon A, Rochais C, Dallemagne P.: Novel benzylidenephenylpyrrolizinones with pleiotropic activities potentially useful in Alzheimer's disease treatment. Eur J Med Chem, Volume 114, 2016";ChEMBL
Corticosterone;MM00346;CC12CCC(=O)C=C1CCC1C2C(O)CC2(C)C(C(=O)CO)CCC12;OMFXVFTZEKFJBZ-UHFFFAOYSA-N;346.47;2.67;5753;DB04652;C0R;CHEMBL110739;BBB;EPAM;25;0;"ph = 7.4, <a href=https://www.ebi.ac.uk/chembl/assay_report_card/CHEMBL4050058/  target=_blank>CHEMBL4050058</a>";;;;;;;;;-5.29;;;;;;;;;;;;"Monjas L, Arce MP, León R, Egea J, Pérez C, Villarroya M, López MG, Gil C, Conde S, Rodríguez-Franco MI.: Enzymatic and solid-phase synthesis of new donepezil-based L- and d-glutamic acid derivatives and their pharmacological evaluation in models related to Alzheimer's disease and cerebral ischemia. Eur J Med Chem, Volume 130, 2017";ChEMBL
Corticosterone;MM00346;CC12CCC(=O)C=C1CCC1C2C(O)CC2(C)C(C(=O)CO)CCC12;OMFXVFTZEKFJBZ-UHFFFAOYSA-N;346.47;2.67;5753;DB04652;C0R;CHEMBL110739;BBB;EPAM;25;0;"ph = 7.4, <a href=https://www.ebi.ac.uk/chembl/assay_report_card/CHEMBL4049964/  target=_blank>CHEMBL4049964</a>";;;;;;;;;-5.29;;;;;;;;;;;;"Xia CL, Wang N, Guo QL, Liu ZQ, Wu JQ, Huang SL, Ou TM, Tan JH, Wang HG, Li D, Huang ZS.: Design, synthesis and evaluation of 2-arylethenyl-N-methylquinolinium derivatives as effective multifunctional agents for Alzheimer's disease treatment. Eur J Med Chem, Volume 130, 2017";ChEMBL
Corticosterone;MM00346;CC12CCC(=O)C=C1CCC1C2C(O)CC2(C)C(C(=O)CO)CCC12;OMFXVFTZEKFJBZ-UHFFFAOYSA-N;346.47;2.67;5753;DB04652;C0R;CHEMBL110739;BBB;EPAM;25;0;"ph = 7.4, <a href=https://www.ebi.ac.uk/chembl/assay_report_card/CHEMBL4142615/  target=_blank>CHEMBL4142615</a>";;;;;;;;;-5.29;;;;;;;;;;;;"Xu YX, Wang H, Li XK, Dong SN, Liu WW, Gong Q, Wang TD, Tang Y, Zhu J, Li J, Zhang HY, Mao F.: Discovery of novel propargylamine-modified 4-aminoalkyl imidazole substituted pyrimidinylthiourea derivatives as multifunctional agents for the treatment of Alzheimer's disease. Eur J Med Chem, Volume 143, 2018";ChEMBL
Caffeine;MM00040;Cn1c(=O)c2c(ncn2C)n(C)c1=O;RYYVLZVUVIJVGH-UHFFFAOYSA-N;194.19;-1.03;2519;DB00201;CFF;CHEMBL113;BBB;EPAM;25;0;"ph = 7.4, <a href=https://www.ebi.ac.uk/chembl/assay_report_card/CHEMBL4050058/  target=_blank>CHEMBL4050058</a>";;;;;;;;;-5.89;;;;;;;;;;;;"Monjas L, Arce MP, León R, Egea J, Pérez C, Villarroya M, López MG, Gil C, Conde S, Rodríguez-Franco MI.: Enzymatic and solid-phase synthesis of new donepezil-based L- and d-glutamic acid derivatives and their pharmacological evaluation in models related to Alzheimer's disease and cerebral ischemia. Eur J Med Chem, Volume 130, 2017";ChEMBL
Caffeine;MM00040;Cn1c(=O)c2c(ncn2C)n(C)c1=O;RYYVLZVUVIJVGH-UHFFFAOYSA-N;194.19;-1.03;2519;DB00201;CFF;CHEMBL113;BBB;EPAM;25;0;"ph = 7.4, <a href=https://www.ebi.ac.uk/chembl/assay_report_card/CHEMBL4011778/  target=_blank>CHEMBL4011778</a>";;;;;;;;;-5.89;;;;;;;;;;;;"Sang Z, Pan W, Wang K, Ma Q, Yu L, Yang Y, Bai P, Leng C, Xu Q, Li X, Tan Z, Liu W.: Design, synthesis and evaluation of novel ferulic acid-O-alkylamine derivatives as potential multifunctional agents for the treatment of Alzheimer's disease. Eur J Med Chem, Volume 130, 2017";ChEMBL
Caffeine;MM00040;Cn1c(=O)c2c(ncn2C)n(C)c1=O;RYYVLZVUVIJVGH-UHFFFAOYSA-N;194.19;-1.03;2519;DB00201;CFF;CHEMBL113;BBB;EPAM;25;0;"ph = 7.4, <a href=https://www.ebi.ac.uk/chembl/assay_report_card/CHEMBL4142615/  target=_blank>CHEMBL4142615</a>";;;;;;;;;-5.89;;;;;;;;;;;;"Xu YX, Wang H, Li XK, Dong SN, Liu WW, Gong Q, Wang TD, Tang Y, Zhu J, Li J, Zhang HY, Mao F.: Discovery of novel propargylamine-modified 4-aminoalkyl imidazole substituted pyrimidinylthiourea derivatives as multifunctional agents for the treatment of Alzheimer's disease. Eur J Med Chem, Volume 143, 2018";ChEMBL
Caffeine;MM00040;Cn1c(=O)c2c(ncn2C)n(C)c1=O;RYYVLZVUVIJVGH-UHFFFAOYSA-N;194.19;-1.03;2519;DB00201;CFF;CHEMBL113;BBB;EPAM;25;0;"ph = 7.4, <a href=https://www.ebi.ac.uk/chembl/assay_report_card/CHEMBL4199447/  target=_blank>CHEMBL4199447</a>";;;;;;;;;-5.74;;;;;;;;;;;;"Monsen PJ, Luzzio FA.: Antiangiogenic Activity and Chemical Derivatization of the Neurotoxic Acetogenin Annonacin Isolated from Asimina triloba. J Nat Prod, Volume 81 (8), 2018";ChEMBL
Diazepam;MM00094;CN1C(=O)CN=C(c2ccccc2)c2cc(Cl)ccc21;AAOVKJBEBIDNHE-UHFFFAOYSA-N;284.75;3.15;3016;DB00829;DZP;CHEMBL12;BBB;EPAM;25;0;"ph = 7.4, <a href=https://www.ebi.ac.uk/chembl/assay_report_card/CHEMBL4011778/  target=_blank>CHEMBL4011778</a>";;;;;;;;;-4.8;;;;;;;;;;;;"Sang Z, Pan W, Wang K, Ma Q, Yu L, Yang Y, Bai P, Leng C, Xu Q, Li X, Tan Z, Liu W.: Design, synthesis and evaluation of novel ferulic acid-O-alkylamine derivatives as potential multifunctional agents for the treatment of Alzheimer's disease. Eur J Med Chem, Volume 130, 2017";ChEMBL
Diazepam;MM00094;CN1C(=O)CN=C(c2ccccc2)c2cc(Cl)ccc21;AAOVKJBEBIDNHE-UHFFFAOYSA-N;284.75;3.15;3016;DB00829;DZP;CHEMBL12;BBB;EPAM;25;0;"ph = 7.4, <a href=https://www.ebi.ac.uk/chembl/assay_report_card/CHEMBL4142615/  target=_blank>CHEMBL4142615</a>";;;;;;;;;-4.8;;;;;;;;;;;;"Xu YX, Wang H, Li XK, Dong SN, Liu WW, Gong Q, Wang TD, Tang Y, Zhu J, Li J, Zhang HY, Mao F.: Discovery of novel propargylamine-modified 4-aminoalkyl imidazole substituted pyrimidinylthiourea derivatives as multifunctional agents for the treatment of Alzheimer's disease. Eur J Med Chem, Volume 143, 2018";ChEMBL
Diazepam;MM00094;CN1C(=O)CN=C(c2ccccc2)c2cc(Cl)ccc21;AAOVKJBEBIDNHE-UHFFFAOYSA-N;284.75;3.15;3016;DB00829;DZP;CHEMBL12;BBB;EPAM;25;0;"ph = 7.4, <a href=https://www.ebi.ac.uk/chembl/assay_report_card/CHEMBL4330471/  target=_blank>CHEMBL4330471</a>";;;;;;;;;-4.71;;;;;;;;;;;;"Srivastava P, Tripathi PN, Sharma P, Rai SN, Singh SP, Srivastava RK, Shankar S, Shrivastava SK.: Design and development of some phenyl benzoxazole derivatives as a potent acetylcholinesterase inhibitor with antioxidant property to enhance learning and memory. Eur J Med Chem, Volume 163, 2019";ChEMBL
Clonidine;MM00344;Clc1cccc(Cl)c1NC1=NCCN1;GJSURZIOUXUGAL-UHFFFAOYSA-N;230.1;2.17;2803;DB00575;CLU;CHEMBL134;BBB;EPAM;25;0;"ph = 7.4, <a href=https://www.ebi.ac.uk/chembl/assay_report_card/CHEMBL4055314/  target=_blank>CHEMBL4055314</a>";;;;;;;;;-5.28;;;;;;;;;;;;"Li F, Wu JJ, Wang J, Yang XL, Cai P, Liu QH, Kong LY, Wang XB.: Synthesis and pharmacological evaluation of novel chromone derivatives as balanced multifunctional agents against Alzheimer's disease. Bioorg Med Chem, Volume 25 (14), 2017";ChEMBL
Clonidine;MM00344;Clc1cccc(Cl)c1NC1=NCCN1;GJSURZIOUXUGAL-UHFFFAOYSA-N;230.1;2.17;2803;DB00575;CLU;CHEMBL134;BBB;EPAM;25;0;"ph = 7.4, <a href=https://www.ebi.ac.uk/chembl/assay_report_card/CHEMBL4179548/  target=_blank>CHEMBL4179548</a>";;;;;;;;;-5.28;;;;;;;;;;;;"Yang HL, Cai P, Liu QH, Yang XL, Fang SQ, Tang YW, Wang C, Wang XB, Kong LY.: Design, synthesis, and evaluation of salicyladimine derivatives as multitarget-directed ligands against Alzheimer's disease. Bioorg Med Chem, Volume 25 (21), 2017";ChEMBL
Clonidine;MM00344;Clc1cccc(Cl)c1NC1=NCCN1;GJSURZIOUXUGAL-UHFFFAOYSA-N;230.1;2.17;2803;DB00575;CLU;CHEMBL134;BBB;EPAM;25;0;"ph = 7.4, <a href=https://www.ebi.ac.uk/chembl/assay_report_card/CHEMBL4050058/  target=_blank>CHEMBL4050058</a>";;;;;;;;;-5.28;;;;;;;;;;;;"Monjas L, Arce MP, León R, Egea J, Pérez C, Villarroya M, López MG, Gil C, Conde S, Rodríguez-Franco MI.: Enzymatic and solid-phase synthesis of new donepezil-based L- and d-glutamic acid derivatives and their pharmacological evaluation in models related to Alzheimer's disease and cerebral ischemia. Eur J Med Chem, Volume 130, 2017";ChEMBL
Clonidine;MM00344;Clc1cccc(Cl)c1NC1=NCCN1;GJSURZIOUXUGAL-UHFFFAOYSA-N;230.1;2.17;2803;DB00575;CLU;CHEMBL134;BBB;EPAM;25;0;"ph = 7.4, <a href=https://www.ebi.ac.uk/chembl/assay_report_card/CHEMBL4011778/  target=_blank>CHEMBL4011778</a>";;;;;;;;;-5.28;;;;;;;;;;;;"Sang Z, Pan W, Wang K, Ma Q, Yu L, Yang Y, Bai P, Leng C, Xu Q, Li X, Tan Z, Liu W.: Design, synthesis and evaluation of novel ferulic acid-O-alkylamine derivatives as potential multifunctional agents for the treatment of Alzheimer's disease. Eur J Med Chem, Volume 130, 2017";ChEMBL
Clonidine;MM00344;Clc1cccc(Cl)c1NC1=NCCN1;GJSURZIOUXUGAL-UHFFFAOYSA-N;230.1;2.17;2803;DB00575;CLU;CHEMBL134;BBB;EPAM;25;0;"ph = 7.4, <a href=https://www.ebi.ac.uk/chembl/assay_report_card/CHEMBL4049964/  target=_blank>CHEMBL4049964</a>";;;;;;;;;-5.28;;;;;;;;;;;;"Xia CL, Wang N, Guo QL, Liu ZQ, Wu JQ, Huang SL, Ou TM, Tan JH, Wang HG, Li D, Huang ZS.: Design, synthesis and evaluation of 2-arylethenyl-N-methylquinolinium derivatives as effective multifunctional agents for Alzheimer's disease treatment. Eur J Med Chem, Volume 130, 2017";ChEMBL
Clonidine;MM00344;Clc1cccc(Cl)c1NC1=NCCN1;GJSURZIOUXUGAL-UHFFFAOYSA-N;230.1;2.17;2803;DB00575;CLU;CHEMBL134;BBB;EPAM;25;0;"ph = 7.4, <a href=https://www.ebi.ac.uk/chembl/assay_report_card/CHEMBL4142615/  target=_blank>CHEMBL4142615</a>";;;;;;;;;-5.28;;;;;;;;;;;;"Xu YX, Wang H, Li XK, Dong SN, Liu WW, Gong Q, Wang TD, Tang Y, Zhu J, Li J, Zhang HY, Mao F.: Discovery of novel propargylamine-modified 4-aminoalkyl imidazole substituted pyrimidinylthiourea derivatives as multifunctional agents for the treatment of Alzheimer's disease. Eur J Med Chem, Volume 143, 2018";ChEMBL
Estradiol;MM00197;CC12CCC3c4ccc(O)cc4CCC3C1CCC2O;VOXZDWNPVJITMN-UHFFFAOYSA-N;272.39;3.61;5757;DB00783;EST;CHEMBL135;BBB;EPAM;25;0;"ph = 7.4, <a href=https://www.ebi.ac.uk/chembl/assay_report_card/CHEMBL4055314/  target=_blank>CHEMBL4055314</a>";;;;;;;;;-4.92;;;;;;;;;;;;"Li F, Wu JJ, Wang J, Yang XL, Cai P, Liu QH, Kong LY, Wang XB.: Synthesis and pharmacological evaluation of novel chromone derivatives as balanced multifunctional agents against Alzheimer's disease. Bioorg Med Chem, Volume 25 (14), 2017";ChEMBL
Estradiol;MM00197;CC12CCC3c4ccc(O)cc4CCC3C1CCC2O;VOXZDWNPVJITMN-UHFFFAOYSA-N;272.39;3.61;5757;DB00783;EST;CHEMBL135;BBB;EPAM;25;0;"ph = 7.4, <a href=https://www.ebi.ac.uk/chembl/assay_report_card/CHEMBL4179548/  target=_blank>CHEMBL4179548</a>";;;;;;;;;-4.92;;;;;;;;;;;;"Yang HL, Cai P, Liu QH, Yang XL, Fang SQ, Tang YW, Wang C, Wang XB, Kong LY.: Design, synthesis, and evaluation of salicyladimine derivatives as multitarget-directed ligands against Alzheimer's disease. Bioorg Med Chem, Volume 25 (21), 2017";ChEMBL
Estradiol;MM00197;CC12CCC3c4ccc(O)cc4CCC3C1CCC2O;VOXZDWNPVJITMN-UHFFFAOYSA-N;272.39;3.61;5757;DB00783;EST;CHEMBL135;BBB;EPAM;25;0;"ph = 7.4, <a href=https://www.ebi.ac.uk/chembl/assay_report_card/CHEMBL4142615/  target=_blank>CHEMBL4142615</a>";;;;;;;;;-4.92;;;;;;;;;;;;"Xu YX, Wang H, Li XK, Dong SN, Liu WW, Gong Q, Wang TD, Tang Y, Zhu J, Li J, Zhang HY, Mao F.: Discovery of novel propargylamine-modified 4-aminoalkyl imidazole substituted pyrimidinylthiourea derivatives as multifunctional agents for the treatment of Alzheimer's disease. Eur J Med Chem, Volume 143, 2018";ChEMBL
MM471002;MM471002;CSc1nc(Nc2cccc(Cl)c2)c2cnn(CCc3ccccc3)c2n1;YQKKZNSKOPPFHY-UHFFFAOYSA-N;395.92;5.19;53484203;;;CHEMBL1836673;BBB;EPAM;25;0;"ph = 7.4, <a href=https://www.ebi.ac.uk/chembl/assay_report_card/CHEMBL1837752/  target=_blank>CHEMBL1837752</a>";;;;;;;;;-5.46;;;;;;;;;;;;"Radi M, Brullo C, Crespan E, Tintori C, Musumeci F, Biava M, Schenone S, Dreassi E, Zamperini C, Maga G, Pagano D, Angelucci A, Bologna M, Botta M.: Identification of potent c-Src inhibitors strongly affecting the proliferation of human neuroblastoma cells. Bioorg Med Chem Lett, Volume 21 (19), 2011";ChEMBL
MM471003;MM471003;CSc1nc(Nc2cccc(Br)c2)c2cnn(CC(C)c3ccccc3)c2n1;JSXXDWHFXXQDDJ-UHFFFAOYSA-N;454.4;5.86;56682663;;;CHEMBL1836680;BBB;EPAM;25;0;"ph = 7.4, <a href=https://www.ebi.ac.uk/chembl/assay_report_card/CHEMBL1837752/  target=_blank>CHEMBL1837752</a>";;;;;;;;;-5.83;;;;;;;;;;;;"Radi M, Brullo C, Crespan E, Tintori C, Musumeci F, Biava M, Schenone S, Dreassi E, Zamperini C, Maga G, Pagano D, Angelucci A, Bologna M, Botta M.: Identification of potent c-Src inhibitors strongly affecting the proliferation of human neuroblastoma cells. Bioorg Med Chem Lett, Volume 21 (19), 2011";ChEMBL
Theophylline;MM00048;Cn1c(=O)c2[nH]cnc2n(C)c1=O;ZFXYFBGIUFBOJW-UHFFFAOYSA-N;180.17;-1.04;2153;DB00277;TEP;CHEMBL190;BBB;EPAM;25;0;"ph = 7.4, <a href=https://www.ebi.ac.uk/chembl/assay_report_card/CHEMBL3871993/  target=_blank>CHEMBL3871993</a>";;;;;;;;;-6.9;;;;;;;;;;;;"Košak U, Knez D, Coquelle N, Brus B, Pišlar A, Nachon F, Brazzolotto X, Kos J, Colletier JP, Gobec S.: N-Propargylpiperidines with naphthalene-2-carboxamide or naphthalene-2-sulfonamide moieties: Potential multifunctional anti-Alzheimer's agents. Bioorg Med Chem, Volume 25 (2), 2017";ChEMBL
Theophylline;MM00048;Cn1c(=O)c2[nH]cnc2n(C)c1=O;ZFXYFBGIUFBOJW-UHFFFAOYSA-N;180.17;-1.04;2153;DB00277;TEP;CHEMBL190;BBB;EPAM;25;0;"ph = 7.4, <a href=https://www.ebi.ac.uk/chembl/assay_report_card/CHEMBL3996842/  target=_blank>CHEMBL3996842</a>";;;;;;;;;-6.92;;;;;;;;;;;;"Tzvetkov NT, Stammler HG, Neumann B, Hristova S, Antonov L, Gastreich M.: Crystal structures, binding interactions, and ADME evaluation of brain penetrant N-substituted indazole-5-carboxamides as subnanomolar, selective monoamine oxidase B and dual MAO-A/B inhibitors. Eur J Med Chem, Volume 127, 2017";ChEMBL
Theophylline;MM00048;Cn1c(=O)c2[nH]cnc2n(C)c1=O;ZFXYFBGIUFBOJW-UHFFFAOYSA-N;180.17;-1.04;2153;DB00277;TEP;CHEMBL190;BBB;EPAM;25;0;"ph = 7.4, <a href=https://www.ebi.ac.uk/chembl/assay_report_card/CHEMBL4011778/  target=_blank>CHEMBL4011778</a>";;;;;;;;;-6.92;;;;;;;;;;;;"Sang Z, Pan W, Wang K, Ma Q, Yu L, Yang Y, Bai P, Leng C, Xu Q, Li X, Tan Z, Liu W.: Design, synthesis and evaluation of novel ferulic acid-O-alkylamine derivatives as potential multifunctional agents for the treatment of Alzheimer's disease. Eur J Med Chem, Volume 130, 2017";ChEMBL
Theophylline;MM00048;Cn1c(=O)c2[nH]cnc2n(C)c1=O;ZFXYFBGIUFBOJW-UHFFFAOYSA-N;180.17;-1.04;2153;DB00277;TEP;CHEMBL190;BBB;EPAM;25;0;"ph = 7.4, <a href=https://www.ebi.ac.uk/chembl/assay_report_card/CHEMBL4049964/  target=_blank>CHEMBL4049964</a>";;;;;;;;;-7;;;;;;;;;;;;"Xia CL, Wang N, Guo QL, Liu ZQ, Wu JQ, Huang SL, Ou TM, Tan JH, Wang HG, Li D, Huang ZS.: Design, synthesis and evaluation of 2-arylethenyl-N-methylquinolinium derivatives as effective multifunctional agents for Alzheimer's disease treatment. Eur J Med Chem, Volume 130, 2017";ChEMBL
MM471004;MM471004;CN1CCc2c(c3ccccc3n2Cc2ccc(C(=O)NO)cc2)C1;GOVYBPLHWIEHEJ-UHFFFAOYSA-N;335.41;2.8;49850262;;;CHEMBL2018302;BBB;EPAM;25;0;"ph = 7.4, <a href=https://www.ebi.ac.uk/chembl/assay_report_card/CHEMBL3861339/  target=_blank>CHEMBL3861339</a>";;;;;;;;;-5.17;;;;;;;;;;;;"Zwick V, Simões-Pires CA, Nurisso A, Petit C, Dos Santos Passos C, Randazzo GM, Martinet N, Bertrand P, Cuendet M.: Synthesis of a selective HDAC6 inhibitor active in neuroblasts. Bioorg Med Chem Lett, Volume 26 (20), 2016";ChEMBL
Atenolol;MM00078;CC(C)NCC(O)COc1ccc(CC(N)=O)cc1;METKIMKYRPQLGS-GFCCVEGCSA-N;266.34;0.45;2249;DB00335;;CHEMBL24;BBB;EPAM;25;0;"ph = 7.4, <a href=https://www.ebi.ac.uk/chembl/assay_report_card/CHEMBL4350094/  target=_blank>CHEMBL4350094</a>";;;;;;;;;-6.19;;;;;;;;;;;;"Srivastava P, Tripathi PN, Sharma P, Shrivastava SK.: Design, synthesis, and evaluation of novel N-(4-phenoxybenzyl)aniline derivatives targeting acetylcholinesterase, β-amyloid aggregation and oxidative stress to treat Alzheimer's disease. Bioorg Med Chem, Volume 27 (16), 2019";ChEMBL
Atenolol;MM00078;CC(C)NCC(O)COc1ccc(CC(N)=O)cc1;METKIMKYRPQLGS-GFCCVEGCSA-N;266.34;0.45;2249;DB00335;;CHEMBL24;BBB;EPAM;25;0;"ph = 7.4, <a href=https://www.ebi.ac.uk/chembl/assay_report_card/CHEMBL4049964/  target=_blank>CHEMBL4049964</a>";;;;;;;;;-6.1;;;;;;;;;;;;"Xia CL, Wang N, Guo QL, Liu ZQ, Wu JQ, Huang SL, Ou TM, Tan JH, Wang HG, Li D, Huang ZS.: Design, synthesis and evaluation of 2-arylethenyl-N-methylquinolinium derivatives as effective multifunctional agents for Alzheimer's disease treatment. Eur J Med Chem, Volume 130, 2017";ChEMBL
Atenolol;MM00078;CC(C)NCC(O)COc1ccc(CC(N)=O)cc1;METKIMKYRPQLGS-GFCCVEGCSA-N;266.34;0.45;2249;DB00335;;CHEMBL24;BBB;EPAM;25;0;"ph = 7.4, <a href=https://www.ebi.ac.uk/chembl/assay_report_card/CHEMBL4330471/  target=_blank>CHEMBL4330471</a>";;;;;;;;;-6.19;;;;;;;;;;;;"Srivastava P, Tripathi PN, Sharma P, Rai SN, Singh SP, Srivastava RK, Shankar S, Shrivastava SK.: Design and development of some phenyl benzoxazole derivatives as a potent acetylcholinesterase inhibitor with antioxidant property to enhance learning and memory. Eur J Med Chem, Volume 163, 2019";ChEMBL
Propranolol;MM00085;CC(C)NCC(O)COc1cccc2ccccc12;AQHHHDLHHXJYJD-UHFFFAOYSA-N;259.35;2.58;4946;DB00571;;CHEMBL27;BBB;EPAM;25;0;"ph = 7.4, <a href=https://www.ebi.ac.uk/chembl/assay_report_card/CHEMBL4198453/  target=_blank>CHEMBL4198453</a>";;;;;;;;;-4.99;;;;;;;;;;;;"D'Acunto CW, Kaplánek R, Gbelcová H, Kejík Z, Bříza T, Vasina L, Havlík M, Ruml T, Král V.: Metallomics for Alzheimer's disease treatment: Use of new generation of chelators combining metal-cation binding and transport properties. Eur J Med Chem, Volume 150, 2018";ChEMBL
Propranolol;MM00085;CC(C)NCC(O)COc1cccc2ccccc12;AQHHHDLHHXJYJD-UHFFFAOYSA-N;259.35;2.58;4946;DB00571;;CHEMBL27;BBB;EPAM;25;0;"ph = 7.4, <a href=https://www.ebi.ac.uk/chembl/assay_report_card/CHEMBL4199447/  target=_blank>CHEMBL4199447</a>";;;;;;;;;-4.92;;;;;;;;;;;;"Monsen PJ, Luzzio FA.: Antiangiogenic Activity and Chemical Derivatization of the Neurotoxic Acetogenin Annonacin Isolated from Asimina triloba. J Nat Prod, Volume 81 (8), 2018";ChEMBL
Astemizole;MM00448;COc1ccc(CCN2CCC(Nc3nc4ccccc4n3Cc3ccc(F)cc3)CC2)cc1;GXDALQBWZGODGZ-UHFFFAOYSA-N;458.58;5.35;2247;DB00637;;CHEMBL296419;BBB;EPAM;25;0;"ph = 7.4, <a href=https://www.ebi.ac.uk/chembl/assay_report_card/CHEMBL4142615/  target=_blank>CHEMBL4142615</a>";;;;;;;;;-4.96;;;;;;;;;;;;"Xu YX, Wang H, Li XK, Dong SN, Liu WW, Gong Q, Wang TD, Tang Y, Zhu J, Li J, Zhang HY, Mao F.: Discovery of novel propargylamine-modified 4-aminoalkyl imidazole substituted pyrimidinylthiourea derivatives as multifunctional agents for the treatment of Alzheimer's disease. Eur J Med Chem, Volume 143, 2018";ChEMBL
MM470962;MM470962;O=C(NCCc1ccncc1)C1CCN(C(=O)c2cccn2Cc2ccc(Cl)cc2)CC1;JFEPDCPCLWYRAD-UHFFFAOYSA-N;450.97;3.8;66571568;;;CHEMBL3085933;BBB;EPAM;25;0;"ph = 7.4, <a href=https://www.ebi.ac.uk/chembl/assay_report_card/CHEMBL3398844/  target=_blank>CHEMBL3398844</a>";;;;;;;;;-5.01;;;;;;;;;;;;"Barraza SJ, Delekta PC, Sindac JA, Dobry CJ, Xiang J, Keep RF, Miller DJ, Larsen SD.: Discovery of anthranilamides as a novel class of inhibitors of neurotropic alphavirus replication. Bioorg Med Chem, Volume 23 (7), 2015";ChEMBL
MM470972;MM470972;O=C(NCCc1ccncc1)C1CCN(C(=O)c2cc3ccccc3n2Cc2ccc(Cl)cc2)CC1;ZCSWCGKOEUTHLD-UHFFFAOYSA-N;501.03;4.95;66571217;;;CHEMBL3085944;BBB;EPAM;25;0;"ph = 7.4, <a href=https://www.ebi.ac.uk/chembl/assay_report_card/CHEMBL3398844/  target=_blank>CHEMBL3398844</a>";;;;;;;;;-4.18;;;;;;;;;;;;"Barraza SJ, Delekta PC, Sindac JA, Dobry CJ, Xiang J, Keep RF, Miller DJ, Larsen SD.: Discovery of anthranilamides as a novel class of inhibitors of neurotropic alphavirus replication. Bioorg Med Chem, Volume 23 (7), 2015";ChEMBL
MM471046;MM471046;O=C(Nc1ccc(F)c(F)c1)c1ccc2[nH]ncc2c1;SFDOMGAQGMFHNI-UHFFFAOYSA-N;273.24;3.09;;;;;BBB;EPAM;25;0;"ph = 7.4, <a href=https://www.ebi.ac.uk/chembl/assay_report_card/CHEMBL3996838/  target=_blank>CHEMBL3996838</a>";;;;;;;;;-5.09;;;;;;;;;;;;"Tzvetkov NT, Stammler HG, Neumann B, Hristova S, Antonov L, Gastreich M.: Crystal structures, binding interactions, and ADME evaluation of brain penetrant N-substituted indazole-5-carboxamides as subnanomolar, selective monoamine oxidase B and dual MAO-A/B inhibitors. Eur J Med Chem, Volume 127, 2017";ChEMBL
MM471047;MM471047;Cn1ncc2cc(C(=O)Nc3ccc(Cl)c(Cl)c3)ccc21;OIDIFCINLNNUKU-UHFFFAOYSA-N;320.18;4.13;;;;;BBB;EPAM;25;0;"ph = 7.4, <a href=https://www.ebi.ac.uk/chembl/assay_report_card/CHEMBL3996838/  target=_blank>CHEMBL3996838</a>";;;;;;;;;-4.65;;;;;;;;;;;;"Tzvetkov NT, Stammler HG, Neumann B, Hristova S, Antonov L, Gastreich M.: Crystal structures, binding interactions, and ADME evaluation of brain penetrant N-substituted indazole-5-carboxamides as subnanomolar, selective monoamine oxidase B and dual MAO-A/B inhibitors. Eur J Med Chem, Volume 127, 2017";ChEMBL
MM471048;MM471048;Cn1cc2cc(C(=O)Nc3ccc(Cl)c(Cl)c3)ccc2n1;IJGQJSMRACUEMU-UHFFFAOYSA-N;320.18;4.13;;;;;BBB;EPAM;25;0;"ph = 7.4, <a href=https://www.ebi.ac.uk/chembl/assay_report_card/CHEMBL3996838/  target=_blank>CHEMBL3996838</a>";;;;;;;;;-4.54;;;;;;;;;;;;"Tzvetkov NT, Stammler HG, Neumann B, Hristova S, Antonov L, Gastreich M.: Crystal structures, binding interactions, and ADME evaluation of brain penetrant N-substituted indazole-5-carboxamides as subnanomolar, selective monoamine oxidase B and dual MAO-A/B inhibitors. Eur J Med Chem, Volume 127, 2017";ChEMBL
MM470963;MM470963;O=C(NCCc1ccncc1)C1CCN(C(=O)c2ccccc2Oc2ccc(Cl)cc2)CC1;DFZKXMIRDVGLLV-UHFFFAOYSA-N;463.97;4.74;118726485;;;CHEMBL3397198;BBB;EPAM;25;0;"ph = 7.4, <a href=https://www.ebi.ac.uk/chembl/assay_report_card/CHEMBL3398844/  target=_blank>CHEMBL3398844</a>";;;;;;;;;-4.68;;;;;;;;;;;;"Barraza SJ, Delekta PC, Sindac JA, Dobry CJ, Xiang J, Keep RF, Miller DJ, Larsen SD.: Discovery of anthranilamides as a novel class of inhibitors of neurotropic alphavirus replication. Bioorg Med Chem, Volume 23 (7), 2015";ChEMBL
MM470964;MM470964;O=C(NCCc1ccncc1)C1CCN(C(=O)c2ccccc2Nc2ccc(Cl)cc2)CC1;SEBDZRXSQKEOTG-UHFFFAOYSA-N;462.98;4.69;101911835;;;CHEMBL3397199;BBB;EPAM;25;0;"ph = 7.4, <a href=https://www.ebi.ac.uk/chembl/assay_report_card/CHEMBL3398844/  target=_blank>CHEMBL3398844</a>";;;;;;;;;-4.45;;;;;;;;;;;;"Barraza SJ, Delekta PC, Sindac JA, Dobry CJ, Xiang J, Keep RF, Miller DJ, Larsen SD.: Discovery of anthranilamides as a novel class of inhibitors of neurotropic alphavirus replication. Bioorg Med Chem, Volume 23 (7), 2015";ChEMBL
MM470965;MM470965;O=C(NCCc1ccncc1)C1CCN(C(=O)c2ccccc2Nc2ccccc2)CC1;ROIYJYQMNNXFEU-UHFFFAOYSA-N;428.54;4.04;118726486;;;CHEMBL3397200;BBB;EPAM;25;0;"ph = 7.4, <a href=https://www.ebi.ac.uk/chembl/assay_report_card/CHEMBL3398844/  target=_blank>CHEMBL3398844</a>";;;;;;;;;-4.75;;;;;;;;;;;;"Barraza SJ, Delekta PC, Sindac JA, Dobry CJ, Xiang J, Keep RF, Miller DJ, Larsen SD.: Discovery of anthranilamides as a novel class of inhibitors of neurotropic alphavirus replication. Bioorg Med Chem, Volume 23 (7), 2015";ChEMBL
MM470966;MM470966;CN(c1ccc(Cl)cc1)c1ccccc1C(=O)N1CCC(C(=O)NCCc2ccncc2)CC1;JBQZUJBIXXVGSK-UHFFFAOYSA-N;477.01;4.71;118726487;;;CHEMBL3397201;BBB;EPAM;25;0;"ph = 7.4, <a href=https://www.ebi.ac.uk/chembl/assay_report_card/CHEMBL3398844/  target=_blank>CHEMBL3398844</a>";;;;;;;;;-4.71;;;;;;;;;;;;"Barraza SJ, Delekta PC, Sindac JA, Dobry CJ, Xiang J, Keep RF, Miller DJ, Larsen SD.: Discovery of anthranilamides as a novel class of inhibitors of neurotropic alphavirus replication. Bioorg Med Chem, Volume 23 (7), 2015";ChEMBL
MM470967;MM470967;O=C(NCCc1ccncc1)C1CCN(C(=O)c2ccccc2NCc2ccc(Cl)cc2)CC1;BBLOZYVNCDNRNH-UHFFFAOYSA-N;477.01;4.56;101911836;;;CHEMBL3397202;BBB;EPAM;25;0;"ph = 7.4, <a href=https://www.ebi.ac.uk/chembl/assay_report_card/CHEMBL3398844/  target=_blank>CHEMBL3398844</a>";;;;;;;;;-4.39;;;;;;;;;;;;"Barraza SJ, Delekta PC, Sindac JA, Dobry CJ, Xiang J, Keep RF, Miller DJ, Larsen SD.: Discovery of anthranilamides as a novel class of inhibitors of neurotropic alphavirus replication. Bioorg Med Chem, Volume 23 (7), 2015";ChEMBL
MM470968;MM470968;O=C(NCCc1ccncc1)C1CCN(C(=O)c2ccccc2NCc2ccccc2)CC1;BLSKGWGPNGTRNV-UHFFFAOYSA-N;442.56;3.9;118726488;;;CHEMBL3397203;BBB;EPAM;25;0;"ph = 7.4, <a href=https://www.ebi.ac.uk/chembl/assay_report_card/CHEMBL3398844/  target=_blank>CHEMBL3398844</a>";;;;;;;;;-4.93;;;;;;;;;;;;"Barraza SJ, Delekta PC, Sindac JA, Dobry CJ, Xiang J, Keep RF, Miller DJ, Larsen SD.: Discovery of anthranilamides as a novel class of inhibitors of neurotropic alphavirus replication. Bioorg Med Chem, Volume 23 (7), 2015";ChEMBL
MM470969;MM470969;O=C(NCCc1ccncc1)C1CCN(C(=O)c2ccccc2NCCc2ccc(Cl)cc2)CC1;CSXAGJGQUQIUJB-UHFFFAOYSA-N;491.04;4.6;118726489;;;CHEMBL3397204;BBB;EPAM;25;0;"ph = 7.4, <a href=https://www.ebi.ac.uk/chembl/assay_report_card/CHEMBL3398844/  target=_blank>CHEMBL3398844</a>";;;;;;;;;-4.49;;;;;;;;;;;;"Barraza SJ, Delekta PC, Sindac JA, Dobry CJ, Xiang J, Keep RF, Miller DJ, Larsen SD.: Discovery of anthranilamides as a novel class of inhibitors of neurotropic alphavirus replication. Bioorg Med Chem, Volume 23 (7), 2015";ChEMBL
MM470970;MM470970;O=C(c1ccc(Cl)cc1)c1ccccc1C(=O)N1CCC(C(=O)NCCc2ccncc2)CC1;KWSNZEDRBRHYRQ-UHFFFAOYSA-N;475.98;4.18;118726490;;;CHEMBL3397205;BBB;EPAM;25;0;"ph = 7.4, <a href=https://www.ebi.ac.uk/chembl/assay_report_card/CHEMBL3398844/  target=_blank>CHEMBL3398844</a>";;;;;;;;;-5.08;;;;;;;;;;;;"Barraza SJ, Delekta PC, Sindac JA, Dobry CJ, Xiang J, Keep RF, Miller DJ, Larsen SD.: Discovery of anthranilamides as a novel class of inhibitors of neurotropic alphavirus replication. Bioorg Med Chem, Volume 23 (7), 2015";ChEMBL
MM470971;MM470971;O=C(NCCc1ccncc1)C1CCN(C(=O)c2ccccc2Cc2ccc(Cl)cc2)CC1;KUNPITOGADXGMM-UHFFFAOYSA-N;461.99;4.54;118726491;;;CHEMBL3397206;BBB;EPAM;25;0;"ph = 7.4, <a href=https://www.ebi.ac.uk/chembl/assay_report_card/CHEMBL3398844/  target=_blank>CHEMBL3398844</a>";;;;;;;;;-4.4;;;;;;;;;;;;"Barraza SJ, Delekta PC, Sindac JA, Dobry CJ, Xiang J, Keep RF, Miller DJ, Larsen SD.: Discovery of anthranilamides as a novel class of inhibitors of neurotropic alphavirus replication. Bioorg Med Chem, Volume 23 (7), 2015";ChEMBL
Methotrexate;MM00270;CN(Cc1cnc2nc(N)nc(N)c2n1)c1ccc(C(=O)NC(CCC(=O)O)C(=O)O)cc1;FBOZXECLQNJBKD-UHFFFAOYSA-N;454.45;0.27;126941;DB00563;MTX;CHEMBL34259;BBB;EPAM;25;0;"ph = 7.4, <a href=https://www.ebi.ac.uk/chembl/assay_report_card/CHEMBL4199445/  target=_blank>CHEMBL4199445</a>";;;;;;;;;-8.15;;;;;;;;;;;;"Monsen PJ, Luzzio FA.: Antiangiogenic Activity and Chemical Derivatization of the Neurotoxic Acetogenin Annonacin Isolated from Asimina triloba. J Nat Prod, Volume 81 (8), 2018";ChEMBL
Methotrexate;MM00270;CN(Cc1cnc2nc(N)nc(N)c2n1)c1ccc(C(=O)NC(CCC(=O)O)C(=O)O)cc1;FBOZXECLQNJBKD-UHFFFAOYSA-N;454.45;0.27;126941;DB00563;MTX;CHEMBL34259;BBB;EPAM;25;0;"ph = 7.4, <a href=https://www.ebi.ac.uk/chembl/assay_report_card/CHEMBL4199447/  target=_blank>CHEMBL4199447</a>";;;;;;;;;-7.43;;;;;;;;;;;;"Monsen PJ, Luzzio FA.: Antiangiogenic Activity and Chemical Derivatization of the Neurotoxic Acetogenin Annonacin Isolated from Asimina triloba. J Nat Prod, Volume 81 (8), 2018";ChEMBL
Furosemide;MM00083;NS(=O)(=O)c1cc(C(=O)O)c(NCc2ccco2)cc1Cl;ZZUFCTLCJUWOSV-UHFFFAOYSA-N;330.75;1.89;3440;DB00695;FUN;CHEMBL35;BBB;EPAM;25;0;"ph = 7.4, <a href=https://www.ebi.ac.uk/chembl/assay_report_card/CHEMBL4339328/  target=_blank>CHEMBL4339328</a>";;;;;;;;;-6.89;;;;;;;;;;;;"AlFadly ED, Elzahhar PA, Tramarin A, Elkazaz S, Shaltout H, Abu-Serie MM, Janockova J, Soukup O, Ghareeb DA, El-Yazbi AF, Rafeh RW, Bakkar NZ, Kobeissy F, Iriepa I, Moraleda I, Saudi MNS, Bartolini M, Belal ASF.: Tackling neuroinflammation and cholinergic deficit in Alzheimer's disease: Multi-target inhibitors of cholinesterases, cyclooxygenase-2 and 15-lipoxygenase. Eur J Med Chem, Volume 167, 2019";ChEMBL
MM470981;MM470981;"COc1cc(C2/C(=C\c3ccc(O)c(O)c3)C(=O)c3cccn32)ccc1O";BNQCNHAVQQYUDU-NTEUORMPSA-N;363.37;3.48;;;;;BBB;EPAM;25;0;"ph = 7.4, <a href=https://www.ebi.ac.uk/chembl/assay_report_card/CHEMBL3795357/  target=_blank>CHEMBL3795357</a>";;;;;;;;;-4.8;;;;;;;;;;;;"Jourdan JP, Since M, El Kihel L, Lecoutey C, Corvaisier S, Legay R, Sopkova-de Oliveira Santos J, Cresteil T, Malzert-Fréon A, Rochais C, Dallemagne P.: Novel benzylidenephenylpyrrolizinones with pleiotropic activities potentially useful in Alzheimer's disease treatment. Eur J Med Chem, Volume 114, 2016";ChEMBL
MM470980;MM470980;"COc1ccc(C2/C(=C\c3ccc(O)c(OC)c3)C(=O)c3cccn32)cc1O";NQNCYUCZJVGCAV-XNTDXEJSSA-N;377.4;3.79;;;;;BBB;EPAM;25;0;"ph = 7.4, <a href=https://www.ebi.ac.uk/chembl/assay_report_card/CHEMBL3795357/  target=_blank>CHEMBL3795357</a>";;;;;;;;;-4.3;;;;;;;;;;;;"Jourdan JP, Since M, El Kihel L, Lecoutey C, Corvaisier S, Legay R, Sopkova-de Oliveira Santos J, Cresteil T, Malzert-Fréon A, Rochais C, Dallemagne P.: Novel benzylidenephenylpyrrolizinones with pleiotropic activities potentially useful in Alzheimer's disease treatment. Eur J Med Chem, Volume 114, 2016";ChEMBL
MM470985;MM470985;"COc1cc(C2/C(=C\c3cc(OC)c(OC)c(OC)c3)C(=O)c3cccn32)ccc1O";NOOLFHUGTFEHAD-MHWRWJLKSA-N;421.45;4.1;;;;;BBB;EPAM;25;0;"ph = 7.4, <a href=https://www.ebi.ac.uk/chembl/assay_report_card/CHEMBL3795357/  target=_blank>CHEMBL3795357</a>";;;;;;;;;-4.7;;;;;;;;;;;;"Jourdan JP, Since M, El Kihel L, Lecoutey C, Corvaisier S, Legay R, Sopkova-de Oliveira Santos J, Cresteil T, Malzert-Fréon A, Rochais C, Dallemagne P.: Novel benzylidenephenylpyrrolizinones with pleiotropic activities potentially useful in Alzheimer's disease treatment. Eur J Med Chem, Volume 114, 2016";ChEMBL
MM470977;MM470977;COc1cc(/C=C2/C(=O)c3cccn3C2c2ccccc2)ccc1O;DWJJQMLNNOGQQT-FOWTUZBSSA-N;331.37;4.07;;;;;BBB;EPAM;25;0;"ph = 7.4, <a href=https://www.ebi.ac.uk/chembl/assay_report_card/CHEMBL3795357/  target=_blank>CHEMBL3795357</a>";;;;;;;;;-4.2;;;;;;;;;;;;"Jourdan JP, Since M, El Kihel L, Lecoutey C, Corvaisier S, Legay R, Sopkova-de Oliveira Santos J, Cresteil T, Malzert-Fréon A, Rochais C, Dallemagne P.: Novel benzylidenephenylpyrrolizinones with pleiotropic activities potentially useful in Alzheimer's disease treatment. Eur J Med Chem, Volume 114, 2016";ChEMBL
MM470974;MM470974;O=C1/C(=C/c2ccccc2)C(c2ccccc2)n2cccc21;DSBKTCLJBPZYKV-SAPNQHFASA-N;285.35;4.36;;;;;BBB;EPAM;25;0;"ph = 7.4, <a href=https://www.ebi.ac.uk/chembl/assay_report_card/CHEMBL3795357/  target=_blank>CHEMBL3795357</a>";;;;;;;;;-4.5;;;;;;;;;;;;"Jourdan JP, Since M, El Kihel L, Lecoutey C, Corvaisier S, Legay R, Sopkova-de Oliveira Santos J, Cresteil T, Malzert-Fréon A, Rochais C, Dallemagne P.: Novel benzylidenephenylpyrrolizinones with pleiotropic activities potentially useful in Alzheimer's disease treatment. Eur J Med Chem, Volume 114, 2016";ChEMBL
MM470979;MM470979;COc1ccc(/C=C2/C(=O)c3cccn3C2c2ccc(OC)c(O)c2)cc1O;COQUAHWYJYLREY-XNTDXEJSSA-N;377.4;3.79;;;;;BBB;EPAM;25;0;"ph = 7.4, <a href=https://www.ebi.ac.uk/chembl/assay_report_card/CHEMBL3795357/  target=_blank>CHEMBL3795357</a>";;;;;;;;;-4.3;;;;;;;;;;;;"Jourdan JP, Since M, El Kihel L, Lecoutey C, Corvaisier S, Legay R, Sopkova-de Oliveira Santos J, Cresteil T, Malzert-Fréon A, Rochais C, Dallemagne P.: Novel benzylidenephenylpyrrolizinones with pleiotropic activities potentially useful in Alzheimer's disease treatment. Eur J Med Chem, Volume 114, 2016";ChEMBL
MM470986;MM470986;"COc1cc(C2/C(=C\c3cc(OC)c(O)c(OC)c3)C(=O)c3cccn32)ccc1O";VXLIXBPEBAEVIJ-OQLLNIDSSA-N;407.42;3.79;;;;;BBB;EPAM;25;0;"ph = 7.4, <a href=https://www.ebi.ac.uk/chembl/assay_report_card/CHEMBL3795357/  target=_blank>CHEMBL3795357</a>";;;;;;;;;-4.8;;;;;;;;;;;;"Jourdan JP, Since M, El Kihel L, Lecoutey C, Corvaisier S, Legay R, Sopkova-de Oliveira Santos J, Cresteil T, Malzert-Fréon A, Rochais C, Dallemagne P.: Novel benzylidenephenylpyrrolizinones with pleiotropic activities potentially useful in Alzheimer's disease treatment. Eur J Med Chem, Volume 114, 2016";ChEMBL
MM470987;MM470987;O=C1/C(=C/c2ccc(O)c(O)c2)C(c2ccc(O)c(O)c2)n2cccc21;QRRWGDQOWXRNRP-MDWZMJQESA-N;349.34;3.18;;;;;BBB;EPAM;25;0;"ph = 7.4, <a href=https://www.ebi.ac.uk/chembl/assay_report_card/CHEMBL3795357/  target=_blank>CHEMBL3795357</a>";;;;;;;;;-5.4;;;;;;;;;;;;"Jourdan JP, Since M, El Kihel L, Lecoutey C, Corvaisier S, Legay R, Sopkova-de Oliveira Santos J, Cresteil T, Malzert-Fréon A, Rochais C, Dallemagne P.: Novel benzylidenephenylpyrrolizinones with pleiotropic activities potentially useful in Alzheimer's disease treatment. Eur J Med Chem, Volume 114, 2016";ChEMBL
MM470975;MM470975;"COc1cc(C2/C(=C\c3ccc(OCc4ccccc4)c(OCc4ccccc4)c3)C(=O)c3cccn32)ccc1OCc1ccccc1";UGHISKUKVIUYBA-JWHWKPFMSA-N;633.74;9.1;;;;;BBB;EPAM;25;0;"ph = 7.4, <a href=https://www.ebi.ac.uk/chembl/assay_report_card/CHEMBL3795357/  target=_blank>CHEMBL3795357</a>";;;;;;;;;-10;;;;;;;;;;;;"Jourdan JP, Since M, El Kihel L, Lecoutey C, Corvaisier S, Legay R, Sopkova-de Oliveira Santos J, Cresteil T, Malzert-Fréon A, Rochais C, Dallemagne P.: Novel benzylidenephenylpyrrolizinones with pleiotropic activities potentially useful in Alzheimer's disease treatment. Eur J Med Chem, Volume 114, 2016";ChEMBL
MM470982;MM470982;COc1ccc(/C=C2/C(=O)c3cccn3C2c2ccc(O)c(OC)c2)cc1O;DMVCNOVKHNEBEL-XNTDXEJSSA-N;377.4;3.79;;;;;BBB;EPAM;25;0;"ph = 7.4, <a href=https://www.ebi.ac.uk/chembl/assay_report_card/CHEMBL3795357/  target=_blank>CHEMBL3795357</a>";;;;;;;;;-4.7;;;;;;;;;;;;"Jourdan JP, Since M, El Kihel L, Lecoutey C, Corvaisier S, Legay R, Sopkova-de Oliveira Santos J, Cresteil T, Malzert-Fréon A, Rochais C, Dallemagne P.: Novel benzylidenephenylpyrrolizinones with pleiotropic activities potentially useful in Alzheimer's disease treatment. Eur J Med Chem, Volume 114, 2016";ChEMBL
MM470978;MM470978;"COc1ccc(C2/C(=C\c3ccc(O)c(O)c3)C(=O)c3cccn32)cc1O";YSSULCVGNRKDCX-NTEUORMPSA-N;363.37;3.48;;;;;BBB;EPAM;25;0;"ph = 7.4, <a href=https://www.ebi.ac.uk/chembl/assay_report_card/CHEMBL3795357/  target=_blank>CHEMBL3795357</a>";;;;;;;;;-4.4;;;;;;;;;;;;"Jourdan JP, Since M, El Kihel L, Lecoutey C, Corvaisier S, Legay R, Sopkova-de Oliveira Santos J, Cresteil T, Malzert-Fréon A, Rochais C, Dallemagne P.: Novel benzylidenephenylpyrrolizinones with pleiotropic activities potentially useful in Alzheimer's disease treatment. Eur J Med Chem, Volume 114, 2016";ChEMBL
MM470983;MM470983;COc1cc(/C=C2/C(=O)c3cccn3C2c2ccc(O)c(OC)c2)ccc1O;WTMOQRUSGZWIBR-XNTDXEJSSA-N;377.4;3.79;;;;;BBB;EPAM;25;0;"ph = 7.4, <a href=https://www.ebi.ac.uk/chembl/assay_report_card/CHEMBL3795357/  target=_blank>CHEMBL3795357</a>";;;;;;;;;-4.3;;;;;;;;;;;;"Jourdan JP, Since M, El Kihel L, Lecoutey C, Corvaisier S, Legay R, Sopkova-de Oliveira Santos J, Cresteil T, Malzert-Fréon A, Rochais C, Dallemagne P.: Novel benzylidenephenylpyrrolizinones with pleiotropic activities potentially useful in Alzheimer's disease treatment. Eur J Med Chem, Volume 114, 2016";ChEMBL
MM470984;MM470984;COc1ccc(/C=C2/C(=O)c3cccn3C2c2ccc(O)c(OC)c2)c(OC)c1;XICZBHZGTCROHM-GZTJUZNOSA-N;391.42;4.09;;;;;BBB;EPAM;25;0;"ph = 7.4, <a href=https://www.ebi.ac.uk/chembl/assay_report_card/CHEMBL3795357/  target=_blank>CHEMBL3795357</a>";;;;;;;;;-4.6;;;;;;;;;;;;"Jourdan JP, Since M, El Kihel L, Lecoutey C, Corvaisier S, Legay R, Sopkova-de Oliveira Santos J, Cresteil T, Malzert-Fréon A, Rochais C, Dallemagne P.: Novel benzylidenephenylpyrrolizinones with pleiotropic activities potentially useful in Alzheimer's disease treatment. Eur J Med Chem, Volume 114, 2016";ChEMBL
MM470976;MM470976;O=C1/C(=C/c2ccc(O)c(O)c2)C(c2ccccc2)n2cccc21;FNDVAELMPYVSGS-RVDMUPIBSA-N;317.34;3.77;;;;;BBB;EPAM;25;0;"ph = 7.4, <a href=https://www.ebi.ac.uk/chembl/assay_report_card/CHEMBL3795357/  target=_blank>CHEMBL3795357</a>";;;;;;;;;-4.1;;;;;;;;;;;;"Jourdan JP, Since M, El Kihel L, Lecoutey C, Corvaisier S, Legay R, Sopkova-de Oliveira Santos J, Cresteil T, Malzert-Fréon A, Rochais C, Dallemagne P.: Novel benzylidenephenylpyrrolizinones with pleiotropic activities potentially useful in Alzheimer's disease treatment. Eur J Med Chem, Volume 114, 2016";ChEMBL
Dexamethasone;MM00355;C[C@@H]1C[C@H]2[C@@H]3CCC4=CC(=O)C=C[C@]4(C)[C@@]3(F)[C@@H](O)C[C@]2(C)[C@@]1(O)C(=O)CO;UREBDLICKHMUKA-CXSFZGCWSA-N;392.47;1.9;5743;DB01234;DEX;CHEMBL384467;BBB;EPAM;25;0;"ph = 7.4, <a href=https://www.ebi.ac.uk/chembl/assay_report_card/CHEMBL4199447/  target=_blank>CHEMBL4199447</a>";;;;;;;;;-6.39;;;;;;;;;;;;"Monsen PJ, Luzzio FA.: Antiangiogenic Activity and Chemical Derivatization of the Neurotoxic Acetogenin Annonacin Isolated from Asimina triloba. J Nat Prod, Volume 81 (8), 2018";ChEMBL
Testosterone;MM00423;CC12CCC(=O)C=C1CCC1C2CCC2(C)C(O)CCC12;MUMGGOZAMZWBJJ-UHFFFAOYSA-N;288.43;3.88;6013;DB00624;TES;CHEMBL386630;BBB;EPAM;25;0;"ph = 7.4, <a href=https://www.ebi.ac.uk/chembl/assay_report_card/CHEMBL4055314/  target=_blank>CHEMBL4055314</a>";;;;;;;;;-4.77;;;;;;;;;;;;"Li F, Wu JJ, Wang J, Yang XL, Cai P, Liu QH, Kong LY, Wang XB.: Synthesis and pharmacological evaluation of novel chromone derivatives as balanced multifunctional agents against Alzheimer's disease. Bioorg Med Chem, Volume 25 (14), 2017";ChEMBL
Testosterone;MM00423;CC12CCC(=O)C=C1CCC1C2CCC2(C)C(O)CCC12;MUMGGOZAMZWBJJ-UHFFFAOYSA-N;288.43;3.88;6013;DB00624;TES;CHEMBL386630;BBB;EPAM;25;0;"ph = 7.4, <a href=https://www.ebi.ac.uk/chembl/assay_report_card/CHEMBL4179548/  target=_blank>CHEMBL4179548</a>";;;;;;;;;-4.77;;;;;;;;;;;;"Yang HL, Cai P, Liu QH, Yang XL, Fang SQ, Tang YW, Wang C, Wang XB, Kong LY.: Design, synthesis, and evaluation of salicyladimine derivatives as multitarget-directed ligands against Alzheimer's disease. Bioorg Med Chem, Volume 25 (21), 2017";ChEMBL
Testosterone;MM00423;CC12CCC(=O)C=C1CCC1C2CCC2(C)C(O)CCC12;MUMGGOZAMZWBJJ-UHFFFAOYSA-N;288.43;3.88;6013;DB00624;TES;CHEMBL386630;BBB;EPAM;25;0;"ph = 7.4, <a href=https://www.ebi.ac.uk/chembl/assay_report_card/CHEMBL4050057/  target=_blank>CHEMBL4050057</a>";;;;;;;;;-4.61;;;;;;;;;;;;"Monjas L, Arce MP, León R, Egea J, Pérez C, Villarroya M, López MG, Gil C, Conde S, Rodríguez-Franco MI.: Enzymatic and solid-phase synthesis of new donepezil-based L- and d-glutamic acid derivatives and their pharmacological evaluation in models related to Alzheimer's disease and cerebral ischemia. Eur J Med Chem, Volume 130, 2017";ChEMBL
Testosterone;MM00423;CC12CCC(=O)C=C1CCC1C2CCC2(C)C(O)CCC12;MUMGGOZAMZWBJJ-UHFFFAOYSA-N;288.43;3.88;6013;DB00624;TES;CHEMBL386630;BBB;EPAM;25;0;"ph = 7.4, <a href=https://www.ebi.ac.uk/chembl/assay_report_card/CHEMBL4050058/  target=_blank>CHEMBL4050058</a>";;;;;;;;;-4.77;;;;;;;;;;;;"Monjas L, Arce MP, León R, Egea J, Pérez C, Villarroya M, López MG, Gil C, Conde S, Rodríguez-Franco MI.: Enzymatic and solid-phase synthesis of new donepezil-based L- and d-glutamic acid derivatives and their pharmacological evaluation in models related to Alzheimer's disease and cerebral ischemia. Eur J Med Chem, Volume 130, 2017";ChEMBL
Testosterone;MM00423;CC12CCC(=O)C=C1CCC1C2CCC2(C)C(O)CCC12;MUMGGOZAMZWBJJ-UHFFFAOYSA-N;288.43;3.88;6013;DB00624;TES;CHEMBL386630;BBB;EPAM;25;0;"ph = 7.4, <a href=https://www.ebi.ac.uk/chembl/assay_report_card/CHEMBL4011778/  target=_blank>CHEMBL4011778</a>";;;;;;;;;-4.77;;;;;;;;;;;;"Sang Z, Pan W, Wang K, Ma Q, Yu L, Yang Y, Bai P, Leng C, Xu Q, Li X, Tan Z, Liu W.: Design, synthesis and evaluation of novel ferulic acid-O-alkylamine derivatives as potential multifunctional agents for the treatment of Alzheimer's disease. Eur J Med Chem, Volume 130, 2017";ChEMBL
Testosterone;MM00423;CC12CCC(=O)C=C1CCC1C2CCC2(C)C(O)CCC12;MUMGGOZAMZWBJJ-UHFFFAOYSA-N;288.43;3.88;6013;DB00624;TES;CHEMBL386630;BBB;EPAM;25;0;"ph = 7.4, <a href=https://www.ebi.ac.uk/chembl/assay_report_card/CHEMBL4049964/  target=_blank>CHEMBL4049964</a>";;;;;;;;;-4.77;;;;;;;;;;;;"Xia CL, Wang N, Guo QL, Liu ZQ, Wu JQ, Huang SL, Ou TM, Tan JH, Wang HG, Li D, Huang ZS.: Design, synthesis and evaluation of 2-arylethenyl-N-methylquinolinium derivatives as effective multifunctional agents for Alzheimer's disease treatment. Eur J Med Chem, Volume 130, 2017";ChEMBL
Testosterone;MM00423;CC12CCC(=O)C=C1CCC1C2CCC2(C)C(O)CCC12;MUMGGOZAMZWBJJ-UHFFFAOYSA-N;288.43;3.88;6013;DB00624;TES;CHEMBL386630;BBB;EPAM;25;0;"ph = 7.4, <a href=https://www.ebi.ac.uk/chembl/assay_report_card/CHEMBL4142615/  target=_blank>CHEMBL4142615</a>";;;;;;;;;-4.77;;;;;;;;;;;;"Xu YX, Wang H, Li XK, Dong SN, Liu WW, Gong Q, Wang TD, Tang Y, Zhu J, Li J, Zhang HY, Mao F.: Discovery of novel propargylamine-modified 4-aminoalkyl imidazole substituted pyrimidinylthiourea derivatives as multifunctional agents for the treatment of Alzheimer's disease. Eur J Med Chem, Volume 143, 2018";ChEMBL
Testosterone;MM00423;CC12CCC(=O)C=C1CCC1C2CCC2(C)C(O)CCC12;MUMGGOZAMZWBJJ-UHFFFAOYSA-N;288.43;3.88;6013;DB00624;TES;CHEMBL386630;BBB;EPAM;25;0;"ph = 7.4, <a href=https://www.ebi.ac.uk/chembl/assay_report_card/CHEMBL4199445/  target=_blank>CHEMBL4199445</a>";;;;;;;;;-4.61;;;;;;;;;;;;"Monsen PJ, Luzzio FA.: Antiangiogenic Activity and Chemical Derivatization of the Neurotoxic Acetogenin Annonacin Isolated from Asimina triloba. J Nat Prod, Volume 81 (8), 2018";ChEMBL
Testosterone;MM00423;CC12CCC(=O)C=C1CCC1C2CCC2(C)C(O)CCC12;MUMGGOZAMZWBJJ-UHFFFAOYSA-N;288.43;3.88;6013;DB00624;TES;CHEMBL386630;BBB;EPAM;25;0;"ph = 7.4, <a href=https://www.ebi.ac.uk/chembl/assay_report_card/CHEMBL4199446/  target=_blank>CHEMBL4199446</a>";;;;;;;;;-4.77;;;;;;;;;;;;"Monsen PJ, Luzzio FA.: Antiangiogenic Activity and Chemical Derivatization of the Neurotoxic Acetogenin Annonacin Isolated from Asimina triloba. J Nat Prod, Volume 81 (8), 2018";ChEMBL
Testosterone;MM00423;CC12CCC(=O)C=C1CCC1C2CCC2(C)C(O)CCC12;MUMGGOZAMZWBJJ-UHFFFAOYSA-N;288.43;3.88;6013;DB00624;TES;CHEMBL386630;BBB;EPAM;25;0;"ph = 7.4, <a href=https://www.ebi.ac.uk/chembl/assay_report_card/CHEMBL4199447/  target=_blank>CHEMBL4199447</a>";;;;;;;;;-4.74;;;;;;;;;;;;"Monsen PJ, Luzzio FA.: Antiangiogenic Activity and Chemical Derivatization of the Neurotoxic Acetogenin Annonacin Isolated from Asimina triloba. J Nat Prod, Volume 81 (8), 2018";ChEMBL
MM471005;MM471005;O=C(CCCCCc1ccc2c(c1)OCO2)NO;UWTYFMHKFJGRHX-UHFFFAOYSA-N;251.28;2.02;134136358;;;CHEMBL3890846;BBB;EPAM;25;0;"ph = 7.4, <a href=https://www.ebi.ac.uk/chembl/assay_report_card/CHEMBL3861339/  target=_blank>CHEMBL3861339</a>";;;;;;;;;-5.06;;;;;;;;;;;;"Zwick V, Simões-Pires CA, Nurisso A, Petit C, Dos Santos Passos C, Randazzo GM, Martinet N, Bertrand P, Cuendet M.: Synthesis of a selective HDAC6 inhibitor active in neuroblasts. Bioorg Med Chem Lett, Volume 26 (20), 2016";ChEMBL
MM470997;MM470997;C#CCN1CCC(CNS(=O)(=O)c2ccc3ccccc3c2)CC1;NBWJADYFSHGGRO-UHFFFAOYSA-N;342.46;2.46;132495360;;;CHEMBL3891772;BBB;EPAM;25;0;"ph = 7.4, <a href=https://www.ebi.ac.uk/chembl/assay_report_card/CHEMBL3871993/  target=_blank>CHEMBL3871993</a>";;;;;;;;;-4;;;;;;;;;;;;"Košak U, Knez D, Coquelle N, Brus B, Pišlar A, Nachon F, Brazzolotto X, Kos J, Colletier JP, Gobec S.: N-Propargylpiperidines with naphthalene-2-carboxamide or naphthalene-2-sulfonamide moieties: Potential multifunctional anti-Alzheimer's agents. Bioorg Med Chem, Volume 25 (2), 2017";ChEMBL
Hydrocortisone;MM00044;CC12CCC(=O)C=C1CCC1C2C(O)CC2(C)C1CCC2(O)C(=O)CO;JYGXADMDTFJGBT-UHFFFAOYSA-N;362.47;1.78;5754;DB00741;HCY;CHEMBL389621;BBB;EPAM;25;0;"ph = 7.4, <a href=https://www.ebi.ac.uk/chembl/assay_report_card/CHEMBL4179548/  target=_blank>CHEMBL4179548</a>";;;;;;;;;-5.72;;;;;;;;;;;;"Yang HL, Cai P, Liu QH, Yang XL, Fang SQ, Tang YW, Wang C, Wang XB, Kong LY.: Design, synthesis, and evaluation of salicyladimine derivatives as multitarget-directed ligands against Alzheimer's disease. Bioorg Med Chem, Volume 25 (21), 2017";ChEMBL
Hydrocortisone;MM00044;CC12CCC(=O)C=C1CCC1C2C(O)CC2(C)C1CCC2(O)C(=O)CO;JYGXADMDTFJGBT-UHFFFAOYSA-N;362.47;1.78;5754;DB00741;HCY;CHEMBL389621;BBB;EPAM;25;0;"ph = 7.4, <a href=https://www.ebi.ac.uk/chembl/assay_report_card/CHEMBL4050058/  target=_blank>CHEMBL4050058</a>";;;;;;;;;-5.72;;;;;;;;;;;;"Monjas L, Arce MP, León R, Egea J, Pérez C, Villarroya M, López MG, Gil C, Conde S, Rodríguez-Franco MI.: Enzymatic and solid-phase synthesis of new donepezil-based L- and d-glutamic acid derivatives and their pharmacological evaluation in models related to Alzheimer's disease and cerebral ischemia. Eur J Med Chem, Volume 130, 2017";ChEMBL
Hydrocortisone;MM00044;CC12CCC(=O)C=C1CCC1C2C(O)CC2(C)C1CCC2(O)C(=O)CO;JYGXADMDTFJGBT-UHFFFAOYSA-N;362.47;1.78;5754;DB00741;HCY;CHEMBL389621;BBB;EPAM;25;0;"ph = 7.4, <a href=https://www.ebi.ac.uk/chembl/assay_report_card/CHEMBL4049964/  target=_blank>CHEMBL4049964</a>";;;;;;;;;-5.72;;;;;;;;;;;;"Xia CL, Wang N, Guo QL, Liu ZQ, Wu JQ, Huang SL, Ou TM, Tan JH, Wang HG, Li D, Huang ZS.: Design, synthesis and evaluation of 2-arylethenyl-N-methylquinolinium derivatives as effective multifunctional agents for Alzheimer's disease treatment. Eur J Med Chem, Volume 130, 2017";ChEMBL
Hydrocortisone;MM00044;CC12CCC(=O)C=C1CCC1C2C(O)CC2(C)C1CCC2(O)C(=O)CO;JYGXADMDTFJGBT-UHFFFAOYSA-N;362.47;1.78;5754;DB00741;HCY;CHEMBL389621;BBB;EPAM;25;0;"ph = 7.4, <a href=https://www.ebi.ac.uk/chembl/assay_report_card/CHEMBL4142615/  target=_blank>CHEMBL4142615</a>";;;;;;;;;-5.72;;;;;;;;;;;;"Xu YX, Wang H, Li XK, Dong SN, Liu WW, Gong Q, Wang TD, Tang Y, Zhu J, Li J, Zhang HY, Mao F.: Discovery of novel propargylamine-modified 4-aminoalkyl imidazole substituted pyrimidinylthiourea derivatives as multifunctional agents for the treatment of Alzheimer's disease. Eur J Med Chem, Volume 143, 2018";ChEMBL
MM470995;MM470995;C#CCN1CCCC(CN(CCOC)S(=O)(=O)c2ccc3ccccc3c2)C1;VHUHFVUKZMULIP-UHFFFAOYSA-N;400.54;2.82;134133379;;;CHEMBL3900751;BBB;EPAM;25;0;"ph = 7.4, <a href=https://www.ebi.ac.uk/chembl/assay_report_card/CHEMBL3871993/  target=_blank>CHEMBL3871993</a>";;;;;;;;;-4;;;;;;;;;;;;"Košak U, Knez D, Coquelle N, Brus B, Pišlar A, Nachon F, Brazzolotto X, Kos J, Colletier JP, Gobec S.: N-Propargylpiperidines with naphthalene-2-carboxamide or naphthalene-2-sulfonamide moieties: Potential multifunctional anti-Alzheimer's agents. Bioorg Med Chem, Volume 25 (2), 2017";ChEMBL
MM470988;MM470988;C#CCN1CCCC(CNC(=O)c2ccc3ccccc3c2)C1;ISTATEVUXJJPDY-UHFFFAOYSA-N;306.41;2.91;134142478;;;CHEMBL3915915;BBB;EPAM;25;0;"ph = 7.4, <a href=https://www.ebi.ac.uk/chembl/assay_report_card/CHEMBL3871993/  target=_blank>CHEMBL3871993</a>";;;;;;;;;-4;;;;;;;;;;;;"Košak U, Knez D, Coquelle N, Brus B, Pišlar A, Nachon F, Brazzolotto X, Kos J, Colletier JP, Gobec S.: N-Propargylpiperidines with naphthalene-2-carboxamide or naphthalene-2-sulfonamide moieties: Potential multifunctional anti-Alzheimer's agents. Bioorg Med Chem, Volume 25 (2), 2017";ChEMBL
MM470999;MM470999;C#CCN1CCC(CN(CCCOC)S(=O)(=O)c2ccc3ccccc3c2)CC1;WWTDWEXQPWDMCC-UHFFFAOYSA-N;414.57;3.21;134139124;;;CHEMBL3918754;BBB;EPAM;25;0;"ph = 7.4, <a href=https://www.ebi.ac.uk/chembl/assay_report_card/CHEMBL3871993/  target=_blank>CHEMBL3871993</a>";;;;;;;;;-3.9;;;;;;;;;;;;"Košak U, Knez D, Coquelle N, Brus B, Pišlar A, Nachon F, Brazzolotto X, Kos J, Colletier JP, Gobec S.: N-Propargylpiperidines with naphthalene-2-carboxamide or naphthalene-2-sulfonamide moieties: Potential multifunctional anti-Alzheimer's agents. Bioorg Med Chem, Volume 25 (2), 2017";ChEMBL
MM470990;MM470990;C#CCN1CCCC(CN(CCCOC)C(=O)c2ccc3ccccc3c2)C1;MWHHXIYOHDCIBL-UHFFFAOYSA-N;378.52;3.66;134140781;;;CHEMBL3924905;BBB;EPAM;25;0;"ph = 7.4, <a href=https://www.ebi.ac.uk/chembl/assay_report_card/CHEMBL3871993/  target=_blank>CHEMBL3871993</a>";;;;;;;;;-4.3;;;;;;;;;;;;"Košak U, Knez D, Coquelle N, Brus B, Pišlar A, Nachon F, Brazzolotto X, Kos J, Colletier JP, Gobec S.: N-Propargylpiperidines with naphthalene-2-carboxamide or naphthalene-2-sulfonamide moieties: Potential multifunctional anti-Alzheimer's agents. Bioorg Med Chem, Volume 25 (2), 2017";ChEMBL
MM470994;MM470994;C#CCN1CCCC(CNS(=O)(=O)c2ccc3ccccc3c2)C1;UWQSVNKQBCCLCY-UHFFFAOYSA-N;342.46;2.46;134146126;;;CHEMBL3943366;BBB;EPAM;25;0;"ph = 7.4, <a href=https://www.ebi.ac.uk/chembl/assay_report_card/CHEMBL3871993/  target=_blank>CHEMBL3871993</a>";;;;;;;;;-3.9;;;;;;;;;;;;"Košak U, Knez D, Coquelle N, Brus B, Pišlar A, Nachon F, Brazzolotto X, Kos J, Colletier JP, Gobec S.: N-Propargylpiperidines with naphthalene-2-carboxamide or naphthalene-2-sulfonamide moieties: Potential multifunctional anti-Alzheimer's agents. Bioorg Med Chem, Volume 25 (2), 2017";ChEMBL
MM470992;MM470992;C#CCN1CCC(CN(CCOC)C(=O)c2ccc3ccccc3c2)CC1;XRHQVRLQJJVPLD-UHFFFAOYSA-N;364.49;3.27;134144584;;;CHEMBL3952086;BBB;EPAM;25;0;"ph = 7.4, <a href=https://www.ebi.ac.uk/chembl/assay_report_card/CHEMBL3871993/  target=_blank>CHEMBL3871993</a>";;;;;;;;;-4.4;;;;;;;;;;;;"Košak U, Knez D, Coquelle N, Brus B, Pišlar A, Nachon F, Brazzolotto X, Kos J, Colletier JP, Gobec S.: N-Propargylpiperidines with naphthalene-2-carboxamide or naphthalene-2-sulfonamide moieties: Potential multifunctional anti-Alzheimer's agents. Bioorg Med Chem, Volume 25 (2), 2017";ChEMBL
MM470998;MM470998;C#CCN1CCC(CN(CCOC)S(=O)(=O)c2ccc3ccccc3c2)CC1;GWYNEKZKKCPWHH-UHFFFAOYSA-N;400.54;2.82;134155772;;;CHEMBL3960783;BBB;EPAM;25;0;"ph = 7.4, <a href=https://www.ebi.ac.uk/chembl/assay_report_card/CHEMBL3871993/  target=_blank>CHEMBL3871993</a>";;;;;;;;;-3.9;;;;;;;;;;;;"Košak U, Knez D, Coquelle N, Brus B, Pišlar A, Nachon F, Brazzolotto X, Kos J, Colletier JP, Gobec S.: N-Propargylpiperidines with naphthalene-2-carboxamide or naphthalene-2-sulfonamide moieties: Potential multifunctional anti-Alzheimer's agents. Bioorg Med Chem, Volume 25 (2), 2017";ChEMBL
MM470989;MM470989;C#CCN1CCCC(CN(CCOC)C(=O)c2ccc3ccccc3c2)C1;FTXYXGOUTSVXAQ-UHFFFAOYSA-N;364.49;3.27;134150858;;;CHEMBL3964515;BBB;EPAM;25;0;"ph = 7.4, <a href=https://www.ebi.ac.uk/chembl/assay_report_card/CHEMBL3871993/  target=_blank>CHEMBL3871993</a>";;;;;;;;;-4.3;;;;;;;;;;;;"Košak U, Knez D, Coquelle N, Brus B, Pišlar A, Nachon F, Brazzolotto X, Kos J, Colletier JP, Gobec S.: N-Propargylpiperidines with naphthalene-2-carboxamide or naphthalene-2-sulfonamide moieties: Potential multifunctional anti-Alzheimer's agents. Bioorg Med Chem, Volume 25 (2), 2017";ChEMBL
MM470996;MM470996;C#CCN1CCCC(CN(CCCOC)S(=O)(=O)c2ccc3ccccc3c2)C1;SJQLNDVTQXMBPO-UHFFFAOYSA-N;414.57;3.21;132495361;;;CHEMBL3971906;BBB;EPAM;25;0;"ph = 7.4, <a href=https://www.ebi.ac.uk/chembl/assay_report_card/CHEMBL3871993/  target=_blank>CHEMBL3871993</a>";;;;;;;;;-4;;;;;;;;;;;;"Košak U, Knez D, Coquelle N, Brus B, Pišlar A, Nachon F, Brazzolotto X, Kos J, Colletier JP, Gobec S.: N-Propargylpiperidines with naphthalene-2-carboxamide or naphthalene-2-sulfonamide moieties: Potential multifunctional anti-Alzheimer's agents. Bioorg Med Chem, Volume 25 (2), 2017";ChEMBL
MM470993;MM470993;C#CCN1CCC(CN(CCCOC)C(=O)c2ccc3ccccc3c2)CC1;HXSGFMAVGTWUKU-UHFFFAOYSA-N;378.52;3.66;134153558;;;CHEMBL3972913;BBB;EPAM;25;0;"ph = 7.4, <a href=https://www.ebi.ac.uk/chembl/assay_report_card/CHEMBL3871993/  target=_blank>CHEMBL3871993</a>";;;;;;;;;-4.5;;;;;;;;;;;;"Košak U, Knez D, Coquelle N, Brus B, Pišlar A, Nachon F, Brazzolotto X, Kos J, Colletier JP, Gobec S.: N-Propargylpiperidines with naphthalene-2-carboxamide or naphthalene-2-sulfonamide moieties: Potential multifunctional anti-Alzheimer's agents. Bioorg Med Chem, Volume 25 (2), 2017";ChEMBL
MM470991;MM470991;C#CCN1CCC(CNC(=O)c2ccc3ccccc3c2)CC1;LJDVJVVTDVGBQR-UHFFFAOYSA-N;306.41;2.91;134157232;;;CHEMBL3980929;BBB;EPAM;25;0;"ph = 7.4, <a href=https://www.ebi.ac.uk/chembl/assay_report_card/CHEMBL3871993/  target=_blank>CHEMBL3871993</a>";;;;;;;;;-4.1;;;;;;;;;;;;"Košak U, Knez D, Coquelle N, Brus B, Pišlar A, Nachon F, Brazzolotto X, Kos J, Colletier JP, Gobec S.: N-Propargylpiperidines with naphthalene-2-carboxamide or naphthalene-2-sulfonamide moieties: Potential multifunctional anti-Alzheimer's agents. Bioorg Med Chem, Volume 25 (2), 2017";ChEMBL
Ofloxacin;MM00769;CC1COc2c(N3CCN(C)CC3)c(F)cc3c(=O)c(C(=O)O)cn1c23;GSDSWSVVBLHKDQ-UHFFFAOYSA-N;361.37;1.54;4583;DB01165;;CHEMBL4;BBB;EPAM;25;0;"ph = 7.4, <a href=https://www.ebi.ac.uk/chembl/assay_report_card/CHEMBL4055314/  target=_blank>CHEMBL4055314</a>";;;;;;;;;-5.96;;;;;;;;;;;;"Li F, Wu JJ, Wang J, Yang XL, Cai P, Liu QH, Kong LY, Wang XB.: Synthesis and pharmacological evaluation of novel chromone derivatives as balanced multifunctional agents against Alzheimer's disease. Bioorg Med Chem, Volume 25 (14), 2017";ChEMBL
Ofloxacin;MM00769;CC1COc2c(N3CCN(C)CC3)c(F)cc3c(=O)c(C(=O)O)cn1c23;GSDSWSVVBLHKDQ-UHFFFAOYSA-N;361.37;1.54;4583;DB01165;;CHEMBL4;BBB;EPAM;25;0;"ph = 7.4, <a href=https://www.ebi.ac.uk/chembl/assay_report_card/CHEMBL4050058/  target=_blank>CHEMBL4050058</a>";;;;;;;;;-6.1;;;;;;;;;;;;"Monjas L, Arce MP, León R, Egea J, Pérez C, Villarroya M, López MG, Gil C, Conde S, Rodríguez-Franco MI.: Enzymatic and solid-phase synthesis of new donepezil-based L- and d-glutamic acid derivatives and their pharmacological evaluation in models related to Alzheimer's disease and cerebral ischemia. Eur J Med Chem, Volume 130, 2017";ChEMBL
Ofloxacin;MM00769;CC1COc2c(N3CCN(C)CC3)c(F)cc3c(=O)c(C(=O)O)cn1c23;GSDSWSVVBLHKDQ-UHFFFAOYSA-N;361.37;1.54;4583;DB01165;;CHEMBL4;BBB;EPAM;25;0;"ph = 7.4, <a href=https://www.ebi.ac.uk/chembl/assay_report_card/CHEMBL4049964/  target=_blank>CHEMBL4049964</a>";;;;;;;;;-6.1;;;;;;;;;;;;"Xia CL, Wang N, Guo QL, Liu ZQ, Wu JQ, Huang SL, Ou TM, Tan JH, Wang HG, Li D, Huang ZS.: Design, synthesis and evaluation of 2-arylethenyl-N-methylquinolinium derivatives as effective multifunctional agents for Alzheimer's disease treatment. Eur J Med Chem, Volume 130, 2017";ChEMBL
Ofloxacin;MM00769;CC1COc2c(N3CCN(C)CC3)c(F)cc3c(=O)c(C(=O)O)cn1c23;GSDSWSVVBLHKDQ-UHFFFAOYSA-N;361.37;1.54;4583;DB01165;;CHEMBL4;BBB;EPAM;25;0;"ph = 7.4, <a href=https://www.ebi.ac.uk/chembl/assay_report_card/CHEMBL4142615/  target=_blank>CHEMBL4142615</a>";;;;;;;;;-6.1;;;;;;;;;;;;"Xu YX, Wang H, Li XK, Dong SN, Liu WW, Gong Q, Wang TD, Tang Y, Zhu J, Li J, Zhang HY, Mao F.: Discovery of novel propargylamine-modified 4-aminoalkyl imidazole substituted pyrimidinylthiourea derivatives as multifunctional agents for the treatment of Alzheimer's disease. Eur J Med Chem, Volume 143, 2018";ChEMBL
MM471001;MM471001;CSc1nc(Nc2cccc(Cl)c2)c2cnn(CC(Cl)c3ccccc3)c2n1;ZSKSRKTYCCBGOO-UHFFFAOYSA-N;430.36;5.93;23655682;;;CHEMBL400211;BBB;EPAM;25;0;"ph = 7.4, <a href=https://www.ebi.ac.uk/chembl/assay_report_card/CHEMBL1837752/  target=_blank>CHEMBL1837752</a>";;;;;;;;;-5.25;;;;;;;;;;;;"Radi M, Brullo C, Crespan E, Tintori C, Musumeci F, Biava M, Schenone S, Dreassi E, Zamperini C, Maga G, Pagano D, Angelucci A, Bologna M, Botta M.: Identification of potent c-Src inhibitors strongly affecting the proliferation of human neuroblastoma cells. Bioorg Med Chem Lett, Volume 21 (19), 2011";ChEMBL
MM471016;MM471016;CCOC(=O)[C@@H](CCC(=O)NCCC1CCN(Cc2ccccc2)CC1)NC(=O)c1ccccc1;ORJDLJRUUNFZIZ-RUZDIDTESA-N;479.62;3.55;;;;;BBB;EPAM;25;0;"ph = 7.4, <a href=https://www.ebi.ac.uk/chembl/assay_report_card/CHEMBL4050057/  target=_blank>CHEMBL4050057</a>";;;;;;;;;-5.18;;;;;;;;;;;;"Monjas L, Arce MP, León R, Egea J, Pérez C, Villarroya M, López MG, Gil C, Conde S, Rodríguez-Franco MI.: Enzymatic and solid-phase synthesis of new donepezil-based L- and d-glutamic acid derivatives and their pharmacological evaluation in models related to Alzheimer's disease and cerebral ischemia. Eur J Med Chem, Volume 130, 2017";ChEMBL
MM471049;MM471049;Cn1ncc2cc(C(=O)Nc3ccc(F)c(Cl)c3)ccc21;ISZVIYGCASWHFG-UHFFFAOYSA-N;303.72;3.62;;;;;BBB;EPAM;25;0;"ph = 7.4, <a href=https://www.ebi.ac.uk/chembl/assay_report_card/CHEMBL3996838/  target=_blank>CHEMBL3996838</a>";;;;;;;;;-4.42;;;;;;;;;;;;"Tzvetkov NT, Stammler HG, Neumann B, Hristova S, Antonov L, Gastreich M.: Crystal structures, binding interactions, and ADME evaluation of brain penetrant N-substituted indazole-5-carboxamides as subnanomolar, selective monoamine oxidase B and dual MAO-A/B inhibitors. Eur J Med Chem, Volume 127, 2017";ChEMBL
MM471012;MM471012;O=C(CC[C@@H](NC(=O)c1ccccc1)C(=O)O)NCCC1CCN(Cc2ccccc2)CC1;APDPXKPLRPNYCX-HSZRJFAPSA-N;451.57;3.07;;;;;BBB;EPAM;25;0;"ph = 7.4, <a href=https://www.ebi.ac.uk/chembl/assay_report_card/CHEMBL4050057/  target=_blank>CHEMBL4050057</a>";;;;;;;;;-5.34;;;;;;;;;;;;"Monjas L, Arce MP, León R, Egea J, Pérez C, Villarroya M, López MG, Gil C, Conde S, Rodríguez-Franco MI.: Enzymatic and solid-phase synthesis of new donepezil-based L- and d-glutamic acid derivatives and their pharmacological evaluation in models related to Alzheimer's disease and cerebral ischemia. Eur J Med Chem, Volume 130, 2017";ChEMBL
MM471009;MM471009;CCOC(=O)CC[C@H](NC(=O)OCc1ccccc1)C(=O)NCCC1CCN(Cc2ccccc2)CC1;TXMSSTXNRQZQDT-SANMLTNESA-N;509.65;4.04;;;;;BBB;EPAM;25;0;"ph = 7.4, <a href=https://www.ebi.ac.uk/chembl/assay_report_card/CHEMBL4050057/  target=_blank>CHEMBL4050057</a>";;;;;;;;;-4.68;;;;;;;;;;;;"Monjas L, Arce MP, León R, Egea J, Pérez C, Villarroya M, López MG, Gil C, Conde S, Rodríguez-Franco MI.: Enzymatic and solid-phase synthesis of new donepezil-based L- and d-glutamic acid derivatives and their pharmacological evaluation in models related to Alzheimer's disease and cerebral ischemia. Eur J Med Chem, Volume 130, 2017";ChEMBL
MM471014;MM471014;COc1ccc2cc(C(=O)N[C@@H](CCC(=O)NCCC3CCN(Cc4ccccc4)CC3)C(=O)O)ccc2c1;NHVWEFCFXBVOSE-NDEPHWFRSA-N;531.65;4.23;;;;;BBB;EPAM;25;0;"ph = 7.4, <a href=https://www.ebi.ac.uk/chembl/assay_report_card/CHEMBL4050057/  target=_blank>CHEMBL4050057</a>";;;;;;;;;-5.64;;;;;;;;;;;;"Monjas L, Arce MP, León R, Egea J, Pérez C, Villarroya M, López MG, Gil C, Conde S, Rodríguez-Franco MI.: Enzymatic and solid-phase synthesis of new donepezil-based L- and d-glutamic acid derivatives and their pharmacological evaluation in models related to Alzheimer's disease and cerebral ischemia. Eur J Med Chem, Volume 130, 2017";ChEMBL
MM471018;MM471018;CCCCCCOC(=O)[C@H](CCC(=O)NCCC1CCN(Cc2ccccc2)CC1)NC(=O)c1c[nH]c2ccccc12;MLLNAYHUDYUGTJ-HKBQPEDESA-N;574.77;5.59;;;;;BBB;EPAM;25;0;"ph = 7.4, <a href=https://www.ebi.ac.uk/chembl/assay_report_card/CHEMBL4050057/  target=_blank>CHEMBL4050057</a>";;;;;;;;;-5.02;;;;;;;;;;;;"Monjas L, Arce MP, León R, Egea J, Pérez C, Villarroya M, López MG, Gil C, Conde S, Rodríguez-Franco MI.: Enzymatic and solid-phase synthesis of new donepezil-based L- and d-glutamic acid derivatives and their pharmacological evaluation in models related to Alzheimer's disease and cerebral ischemia. Eur J Med Chem, Volume 130, 2017";ChEMBL
MM471011;MM471011;O=C(CC[C@H](NC(=O)c1ccccc1)C(=O)O)NCCC1CCN(Cc2ccccc2)CC1;APDPXKPLRPNYCX-QHCPKHFHSA-N;451.57;3.07;;;;;BBB;EPAM;25;0;"ph = 7.4, <a href=https://www.ebi.ac.uk/chembl/assay_report_card/CHEMBL4050057/  target=_blank>CHEMBL4050057</a>";;;;;;;;;-5.46;;;;;;;;;;;;"Monjas L, Arce MP, León R, Egea J, Pérez C, Villarroya M, López MG, Gil C, Conde S, Rodríguez-Franco MI.: Enzymatic and solid-phase synthesis of new donepezil-based L- and d-glutamic acid derivatives and their pharmacological evaluation in models related to Alzheimer's disease and cerebral ischemia. Eur J Med Chem, Volume 130, 2017";ChEMBL
MM471008;MM471008;CCCCCCOC(=O)[C@@H](CCC(=O)NCCC1CCN(Cc2ccccc2)CC1)NC(=O)c1ccccc1;XFEJPTLRXOZZDA-GDLZYMKVSA-N;535.73;5.11;;;;;BBB;EPAM;25;0;"ph = 7.4, <a href=https://www.ebi.ac.uk/chembl/assay_report_card/CHEMBL4050057/  target=_blank>CHEMBL4050057</a>";;;;;;;;;-4.86;;;;;;;;;;;;"Monjas L, Arce MP, León R, Egea J, Pérez C, Villarroya M, López MG, Gil C, Conde S, Rodríguez-Franco MI.: Enzymatic and solid-phase synthesis of new donepezil-based L- and d-glutamic acid derivatives and their pharmacological evaluation in models related to Alzheimer's disease and cerebral ischemia. Eur J Med Chem, Volume 130, 2017";ChEMBL
MM471019;MM471019;CCOC(=O)[C@H](CCC(=O)NCCC1CCN(Cc2ccccc2)CC1)NC(=O)c1ccc2cc(OC)ccc2c1;WRHFBOQIYDLZNC-PMERELPUSA-N;559.71;4.71;;;;;BBB;EPAM;25;0;"ph = 7.4, <a href=https://www.ebi.ac.uk/chembl/assay_report_card/CHEMBL4050057/  target=_blank>CHEMBL4050057</a>";;;;;;;;;-5.08;;;;;;;;;;;;"Monjas L, Arce MP, León R, Egea J, Pérez C, Villarroya M, López MG, Gil C, Conde S, Rodríguez-Franco MI.: Enzymatic and solid-phase synthesis of new donepezil-based L- and d-glutamic acid derivatives and their pharmacological evaluation in models related to Alzheimer's disease and cerebral ischemia. Eur J Med Chem, Volume 130, 2017";ChEMBL
MM471017;MM471017;CCOC(=O)[C@H](CCC(=O)NCCC1CCN(Cc2ccccc2)CC1)NC(=O)c1c[nH]c2ccccc12;FBUMKRRRONRQCL-MHZLTWQESA-N;518.66;4.03;;;;;BBB;EPAM;25;0;"ph = 7.4, <a href=https://www.ebi.ac.uk/chembl/assay_report_card/CHEMBL4050057/  target=_blank>CHEMBL4050057</a>";;;;;;;;;-5.35;;;;;;;;;;;;"Monjas L, Arce MP, León R, Egea J, Pérez C, Villarroya M, López MG, Gil C, Conde S, Rodríguez-Franco MI.: Enzymatic and solid-phase synthesis of new donepezil-based L- and d-glutamic acid derivatives and their pharmacological evaluation in models related to Alzheimer's disease and cerebral ischemia. Eur J Med Chem, Volume 130, 2017";ChEMBL
MM471013;MM471013;O=C(CC[C@H](NC(=O)c1c[nH]c2ccccc12)C(=O)O)NCCC1CCN(Cc2ccccc2)CC1;OSBMBUVYRFZYLM-VWLOTQADSA-N;490.6;3.55;;;;;BBB;EPAM;25;0;"ph = 7.4, <a href=https://www.ebi.ac.uk/chembl/assay_report_card/CHEMBL4050057/  target=_blank>CHEMBL4050057</a>";;;;;;;;;-5.74;;;;;;;;;;;;"Monjas L, Arce MP, León R, Egea J, Pérez C, Villarroya M, López MG, Gil C, Conde S, Rodríguez-Franco MI.: Enzymatic and solid-phase synthesis of new donepezil-based L- and d-glutamic acid derivatives and their pharmacological evaluation in models related to Alzheimer's disease and cerebral ischemia. Eur J Med Chem, Volume 130, 2017";ChEMBL
MM471000;MM471000;O=C(COc1cccc2ccccc12)Nc1cccc(C(=O)O)c1;VXBUKKVXBVIXMH-UHFFFAOYSA-N;321.33;3.56;977221;;;CHEMBL4088576;BBB;EPAM;25;0;"ph = 7.4, <a href=https://www.ebi.ac.uk/chembl/assay_report_card/CHEMBL4050785/  target=_blank>CHEMBL4050785</a>";;;;;;;;;-3.74;;;;;;;;;;;;"Geldenhuys WJ, Bergeron SA, Mullins JE, Aljammal R, Gaasch BL, Chen WC, Yun J, Hazlehurst LA.: High-content screen using zebrafish (Danio rerio) embryos identifies a novel kinase activator and inhibitor. Bioorg Med Chem Lett, Volume 27 (9), 2017";ChEMBL
MM471050;MM471050;Cn1cc2cc(C(=O)Nc3ccc(F)c(Cl)c3)ccc2n1;BAPSXXUHQQELCY-UHFFFAOYSA-N;303.72;3.62;;;;;BBB;EPAM;25;0;"ph = 7.4, <a href=https://www.ebi.ac.uk/chembl/assay_report_card/CHEMBL3996838/  target=_blank>CHEMBL3996838</a>";;;;;;;;;-4.76;;;;;;;;;;;;"Tzvetkov NT, Stammler HG, Neumann B, Hristova S, Antonov L, Gastreich M.: Crystal structures, binding interactions, and ADME evaluation of brain penetrant N-substituted indazole-5-carboxamides as subnanomolar, selective monoamine oxidase B and dual MAO-A/B inhibitors. Eur J Med Chem, Volume 127, 2017";ChEMBL
MM471015;MM471015;CCOC(=O)[C@H](CCC(=O)NCCC1CCN(Cc2ccccc2)CC1)NC(=O)c1ccccc1;ORJDLJRUUNFZIZ-VWLOTQADSA-N;479.62;3.55;;;;;BBB;EPAM;25;0;"ph = 7.4, <a href=https://www.ebi.ac.uk/chembl/assay_report_card/CHEMBL4050057/  target=_blank>CHEMBL4050057</a>";;;;;;;;;-5.28;;;;;;;;;;;;"Monjas L, Arce MP, León R, Egea J, Pérez C, Villarroya M, López MG, Gil C, Conde S, Rodríguez-Franco MI.: Enzymatic and solid-phase synthesis of new donepezil-based L- and d-glutamic acid derivatives and their pharmacological evaluation in models related to Alzheimer's disease and cerebral ischemia. Eur J Med Chem, Volume 130, 2017";ChEMBL
MM471010;MM471010;CCOC(=O)CC[C@@H](NC(=O)OCc1ccccc1)C(=O)NCCC1CCN(Cc2ccccc2)CC1;TXMSSTXNRQZQDT-AREMUKBSSA-N;509.65;4.04;;;;;BBB;EPAM;25;0;"ph = 7.4, <a href=https://www.ebi.ac.uk/chembl/assay_report_card/CHEMBL4050057/  target=_blank>CHEMBL4050057</a>";;;;;;;;;-4.78;;;;;;;;;;;;"Monjas L, Arce MP, León R, Egea J, Pérez C, Villarroya M, López MG, Gil C, Conde S, Rodríguez-Franco MI.: Enzymatic and solid-phase synthesis of new donepezil-based L- and d-glutamic acid derivatives and their pharmacological evaluation in models related to Alzheimer's disease and cerebral ischemia. Eur J Med Chem, Volume 130, 2017";ChEMBL
MM471024;MM471024;CS[C@H]1O[C@@H](n2cnc3c(N)ncnc32)[C@H](O)[C@@H]1O;XLWLKFPELPQJBD-MLTZYSBQSA-N;283.31;-0.65;;;;;BBB;EPAM;25;0;"ph = 7.4, <a href=https://www.ebi.ac.uk/chembl/assay_report_card/CHEMBL4198453/  target=_blank>CHEMBL4198453</a>";;;;;;;;;-6.82;;;;;;;;;;;;"D'Acunto CW, Kaplánek R, Gbelcová H, Kejík Z, Bříza T, Vasina L, Havlík M, Ruml T, Král V.: Metallomics for Alzheimer's disease treatment: Use of new generation of chelators combining metal-cation binding and transport properties. Eur J Med Chem, Volume 150, 2018";ChEMBL
MM471022;MM471022;CC(Oc1ccc(C#N)cc1C(=O)N1Cc2cn(-c3cncc(F)c3)nc2C1)C(F)(F)F;DMRVMJNKRAGVQH-LBPRGKRZSA-N;445.38;3.76;118479316;;;CHEMBL4205726;BBB;EPAM;25;0;"ph = 7.4, <a href=https://www.ebi.ac.uk/chembl/assay_report_card/CHEMBL4195552/  target=_blank>CHEMBL4195552</a>";;;;;;;;;-4.59;;;;;;;;;;;;"Santora VJ, Almos TA, Barido R, Basinger J, Bellows CL, Bookser BC, Breitenbucher JG, Broadbent NJ, Cabebe C, Chai CK, Chen M, Chow S, Chung M, Crickard L, Danks AM, Freestone GC, Gitnick D, Gupta V, Hoffmaster C, Hudson AR, Kaplan AP, Kennedy MR, Lee D, Limberis J, Ly K, Mak CC, Masatsugu B, Morse AC, Na J, Neul D, Nikpur J, Peters M, Petroski RE, Renick J, Sebring K, Sevidal S, Tabatabaei A, Wen J, Yan Y, Yoder ZW, Zook D.: Design and Synthesis of Novel and Selective Glycine Transporter-1 (GlyT1) Inhibitors with Memory Enhancing Properties. J Med Chem, Volume 61 (14), 2018";ChEMBL
MM471023;MM471023;Cc1cc(-n2cc3c(n2)CN(C(=O)c2cc(C#N)ccc2OC(C)C)C3)ccn1;CIEHAYBWEMOJMN-UHFFFAOYSA-N;387.44;3.39;118479295;;;CHEMBL4207171;BBB;EPAM;25;0;"ph = 7.4, <a href=https://www.ebi.ac.uk/chembl/assay_report_card/CHEMBL4195552/  target=_blank>CHEMBL4195552</a>";;;;;;;;;-4.79;;;;;;;;;;;;"Santora VJ, Almos TA, Barido R, Basinger J, Bellows CL, Bookser BC, Breitenbucher JG, Broadbent NJ, Cabebe C, Chai CK, Chen M, Chow S, Chung M, Crickard L, Danks AM, Freestone GC, Gitnick D, Gupta V, Hoffmaster C, Hudson AR, Kaplan AP, Kennedy MR, Lee D, Limberis J, Ly K, Mak CC, Masatsugu B, Morse AC, Na J, Neul D, Nikpur J, Peters M, Petroski RE, Renick J, Sebring K, Sevidal S, Tabatabaei A, Wen J, Yan Y, Yoder ZW, Zook D.: Design and Synthesis of Novel and Selective Glycine Transporter-1 (GlyT1) Inhibitors with Memory Enhancing Properties. J Med Chem, Volume 61 (14), 2018";ChEMBL
Sulfasalazine;MM00690;O=C(O)c1cc(N=Nc2ccc(S(=O)(=O)Nc3ccccn3)cc2)ccc1O;NCEXYHBECQHGNR-UHFFFAOYSA-N;398.4;3.7;5359476;DB00795;SAS;CHEMBL421;BBB;EPAM;25;0;"ph = 7.4, <a href=https://www.ebi.ac.uk/chembl/assay_report_card/CHEMBL4339328/  target=_blank>CHEMBL4339328</a>";;;;;;;;;-7.05;;;;;;;;;;;;"AlFadly ED, Elzahhar PA, Tramarin A, Elkazaz S, Shaltout H, Abu-Serie MM, Janockova J, Soukup O, Ghareeb DA, El-Yazbi AF, Rafeh RW, Bakkar NZ, Kobeissy F, Iriepa I, Moraleda I, Saudi MNS, Bartolini M, Belal ASF.: Tackling neuroinflammation and cholinergic deficit in Alzheimer's disease: Multi-target inhibitors of cholinesterases, cyclooxygenase-2 and 15-lipoxygenase. Eur J Med Chem, Volume 167, 2019";ChEMBL
MM471020;MM471020;CC(Oc1ccc(S(C)(=O)=O)cc1C(=O)N1Cc2cn(-c3ccccc3F)nc2C1)C(F)(F)F;CXIIKZDPYZUXDM-ZDUSSCGKSA-N;497.47;3.9;118478972;;;CHEMBL4211012;BBB;EPAM;25;0;"ph = 7.4, <a href=https://www.ebi.ac.uk/chembl/assay_report_card/CHEMBL4195552/  target=_blank>CHEMBL4195552</a>";;;;;;;;;-4.37;;;;;;;;;;;;"Santora VJ, Almos TA, Barido R, Basinger J, Bellows CL, Bookser BC, Breitenbucher JG, Broadbent NJ, Cabebe C, Chai CK, Chen M, Chow S, Chung M, Crickard L, Danks AM, Freestone GC, Gitnick D, Gupta V, Hoffmaster C, Hudson AR, Kaplan AP, Kennedy MR, Lee D, Limberis J, Ly K, Mak CC, Masatsugu B, Morse AC, Na J, Neul D, Nikpur J, Peters M, Petroski RE, Renick J, Sebring K, Sevidal S, Tabatabaei A, Wen J, Yan Y, Yoder ZW, Zook D.: Design and Synthesis of Novel and Selective Glycine Transporter-1 (GlyT1) Inhibitors with Memory Enhancing Properties. J Med Chem, Volume 61 (14), 2018";ChEMBL
MM471021;MM471021;CS(=O)(=O)c1ccc(OCC2CC2)c(C(=O)N2Cc3cn(-c4ccccc4F)nc3C2)c1;QTCZENNLHAHFPC-UHFFFAOYSA-N;455.51;3.36;118479241;;;CHEMBL4211426;BBB;EPAM;25;0;"ph = 7.4, <a href=https://www.ebi.ac.uk/chembl/assay_report_card/CHEMBL4195552/  target=_blank>CHEMBL4195552</a>";;;;;;;;;-4.11;;;;;;;;;;;;"Santora VJ, Almos TA, Barido R, Basinger J, Bellows CL, Bookser BC, Breitenbucher JG, Broadbent NJ, Cabebe C, Chai CK, Chen M, Chow S, Chung M, Crickard L, Danks AM, Freestone GC, Gitnick D, Gupta V, Hoffmaster C, Hudson AR, Kaplan AP, Kennedy MR, Lee D, Limberis J, Ly K, Mak CC, Masatsugu B, Morse AC, Na J, Neul D, Nikpur J, Peters M, Petroski RE, Renick J, Sebring K, Sevidal S, Tabatabaei A, Wen J, Yan Y, Yoder ZW, Zook D.: Design and Synthesis of Novel and Selective Glycine Transporter-1 (GlyT1) Inhibitors with Memory Enhancing Properties. J Med Chem, Volume 61 (14), 2018";ChEMBL
MM471045;MM471045;COc1cc(NCc2ccc(Oc3c(N)cccc3Cl)cc2)cc(OC)c1OC;MBXWWOQMVCKTJD-UHFFFAOYSA-N;414.89;5.35;155517103;;;CHEMBL4444497;BBB;EPAM;25;0;"ph = 7.4, <a href=https://www.ebi.ac.uk/chembl/assay_report_card/CHEMBL4350094/  target=_blank>CHEMBL4350094</a>";;;;;;;;;-5.2;;;;;;;;;;;;"Srivastava P, Tripathi PN, Sharma P, Shrivastava SK.: Design, synthesis, and evaluation of novel N-(4-phenoxybenzyl)aniline derivatives targeting acetylcholinesterase, β-amyloid aggregation and oxidative stress to treat Alzheimer's disease. Bioorg Med Chem, Volume 27 (16), 2019";ChEMBL
MM471038;MM471038;Nc1cccc(Cl)c1Oc1ccc(CNc2ccc(Cl)cc2)cc1;CSBUGJYMOMQGFR-UHFFFAOYSA-N;359.26;5.98;155518864;;;CHEMBL4447438;BBB;EPAM;25;0;"ph = 7.4, <a href=https://www.ebi.ac.uk/chembl/assay_report_card/CHEMBL4350094/  target=_blank>CHEMBL4350094</a>";;;;;;;;;-5.47;;;;;;;;;;;;"Srivastava P, Tripathi PN, Sharma P, Shrivastava SK.: Design, synthesis, and evaluation of novel N-(4-phenoxybenzyl)aniline derivatives targeting acetylcholinesterase, β-amyloid aggregation and oxidative stress to treat Alzheimer's disease. Bioorg Med Chem, Volume 27 (16), 2019";ChEMBL
MM471035;MM471035;Nc1cccc(Cl)c1Oc1ccc(CNc2cccc(Br)c2)cc1;WITBWJZMDDASJV-UHFFFAOYSA-N;403.71;6.09;155520508;;;CHEMBL4448745;BBB;EPAM;25;0;"ph = 7.4, <a href=https://www.ebi.ac.uk/chembl/assay_report_card/CHEMBL4350094/  target=_blank>CHEMBL4350094</a>";;;;;;;;;-5.45;;;;;;;;;;;;"Srivastava P, Tripathi PN, Sharma P, Shrivastava SK.: Design, synthesis, and evaluation of novel N-(4-phenoxybenzyl)aniline derivatives targeting acetylcholinesterase, β-amyloid aggregation and oxidative stress to treat Alzheimer's disease. Bioorg Med Chem, Volume 27 (16), 2019";ChEMBL
MM471030;MM471030;Cc1cc(N)nc2cc(-c3ccc(OCC4CC4)c(CN)c3)ccc12;YJCSKOOAQMAARS-UHFFFAOYSA-N;333.44;4.04;146025975;;;CHEMBL4449970;BBB;EPAM;25;0;"ph = 7.4, <a href=https://www.ebi.ac.uk/chembl/assay_report_card/CHEMBL4346028/  target=_blank>CHEMBL4346028</a>";;;;;;;;;-4.84;;;;;;;;;;;;"Cinelli MA, Reidl CT, Li H, Chreifi G, Poulos TL, Silverman RB.: First Contact: 7-Phenyl-2-Aminoquinolines, Potent and Selective Neuronal Nitric Oxide Synthase Inhibitors That Target an Isoform-Specific Aspartate. J Med Chem, Volume 63 (9), 2020";ChEMBL
MM471040;MM471040;COc1ccc(NCc2ccc(Oc3c(N)cccc3Cl)cc2)cc1;RPGKZHKRCUTZJJ-UHFFFAOYSA-N;354.84;5.34;155522745;;;CHEMBL4453331;BBB;EPAM;25;0;"ph = 7.4, <a href=https://www.ebi.ac.uk/chembl/assay_report_card/CHEMBL4350094/  target=_blank>CHEMBL4350094</a>";;;;;;;;;-5.25;;;;;;;;;;;;"Srivastava P, Tripathi PN, Sharma P, Shrivastava SK.: Design, synthesis, and evaluation of novel N-(4-phenoxybenzyl)aniline derivatives targeting acetylcholinesterase, β-amyloid aggregation and oxidative stress to treat Alzheimer's disease. Bioorg Med Chem, Volume 27 (16), 2019";ChEMBL
MM471026;MM471026;OC(CNc1ccc(Cl)cc1)CNc1ccc(-c2nc3ccccc3o2)cc1;BNCVDFWLDCNUAT-UHFFFAOYSA-N;393.87;5.03;;;;;BBB;EPAM;25;0;"ph = 7.4, <a href=https://www.ebi.ac.uk/chembl/assay_report_card/CHEMBL4330471/  target=_blank>CHEMBL4330471</a>";;;;;;;;;-5.34;;;;;;;;;;;;"Srivastava P, Tripathi PN, Sharma P, Rai SN, Singh SP, Srivastava RK, Shankar S, Shrivastava SK.: Design and development of some phenyl benzoxazole derivatives as a potent acetylcholinesterase inhibitor with antioxidant property to enhance learning and memory. Eur J Med Chem, Volume 163, 2019";ChEMBL
MM471027;MM471027;S=C(NCc1ccccc1)NNc1c2c(nc3ccccc13)CCCC2;GHGXCYPXBDQVRC-UHFFFAOYSA-N;362.5;4.1;;;;;BBB;EPAM;25;0;"ph = 7.4, <a href=https://www.ebi.ac.uk/chembl/assay_report_card/CHEMBL4339328/  target=_blank>CHEMBL4339328</a>";;;;;;;;;-5.15;;;;;;;;;;;;"AlFadly ED, Elzahhar PA, Tramarin A, Elkazaz S, Shaltout H, Abu-Serie MM, Janockova J, Soukup O, Ghareeb DA, El-Yazbi AF, Rafeh RW, Bakkar NZ, Kobeissy F, Iriepa I, Moraleda I, Saudi MNS, Bartolini M, Belal ASF.: Tackling neuroinflammation and cholinergic deficit in Alzheimer's disease: Multi-target inhibitors of cholinesterases, cyclooxygenase-2 and 15-lipoxygenase. Eur J Med Chem, Volume 167, 2019";ChEMBL
MM471043;MM471043;Nc1cccc(Cl)c1Oc1ccc(CNc2cc(Br)cc(Br)c2)cc1;KCBXJCUJFYYVFI-UHFFFAOYSA-N;482.6;6.85;155528538;;;CHEMBL4461560;BBB;EPAM;25;0;"ph = 7.4, <a href=https://www.ebi.ac.uk/chembl/assay_report_card/CHEMBL4350094/  target=_blank>CHEMBL4350094</a>";;;;;;;;;-5.84;;;;;;;;;;;;"Srivastava P, Tripathi PN, Sharma P, Shrivastava SK.: Design, synthesis, and evaluation of novel N-(4-phenoxybenzyl)aniline derivatives targeting acetylcholinesterase, β-amyloid aggregation and oxidative stress to treat Alzheimer's disease. Bioorg Med Chem, Volume 27 (16), 2019";ChEMBL
MM471044;MM471044;COc1cc(NCc2ccc(Oc3c(N)cccc3Cl)cc2)cc(OC)c1;RHGMPEQTBDUBAP-UHFFFAOYSA-N;384.86;5.34;155532073;;;CHEMBL4466944;BBB;EPAM;25;0;"ph = 7.4, <a href=https://www.ebi.ac.uk/chembl/assay_report_card/CHEMBL4350094/  target=_blank>CHEMBL4350094</a>";;;;;;;;;-5.34;;;;;;;;;;;;"Srivastava P, Tripathi PN, Sharma P, Shrivastava SK.: Design, synthesis, and evaluation of novel N-(4-phenoxybenzyl)aniline derivatives targeting acetylcholinesterase, β-amyloid aggregation and oxidative stress to treat Alzheimer's disease. Bioorg Med Chem, Volume 27 (16), 2019";ChEMBL
MM471041;MM471041;Nc1cccc(Cl)c1Oc1ccc(CNc2ccc(O)cc2)cc1;DSYOYHCOKSRCCB-UHFFFAOYSA-N;340.81;5.03;155540039;;;CHEMBL4515376;BBB;EPAM;25;0;"ph = 7.4, <a href=https://www.ebi.ac.uk/chembl/assay_report_card/CHEMBL4350094/  target=_blank>CHEMBL4350094</a>";;;;;;;;;-5.16;;;;;;;;;;;;"Srivastava P, Tripathi PN, Sharma P, Shrivastava SK.: Design, synthesis, and evaluation of novel N-(4-phenoxybenzyl)aniline derivatives targeting acetylcholinesterase, β-amyloid aggregation and oxidative stress to treat Alzheimer's disease. Bioorg Med Chem, Volume 27 (16), 2019";ChEMBL
MM471042;MM471042;Nc1cccc(Cl)c1Oc1ccc(CNc2cc(Cl)cc(Cl)c2)cc1;HJUQVDXAHGERHX-UHFFFAOYSA-N;393.7;6.63;155539893;;;CHEMBL4515603;BBB;EPAM;25;0;"ph = 7.4, <a href=https://www.ebi.ac.uk/chembl/assay_report_card/CHEMBL4350094/  target=_blank>CHEMBL4350094</a>";;;;;;;;;-5.81;;;;;;;;;;;;"Srivastava P, Tripathi PN, Sharma P, Shrivastava SK.: Design, synthesis, and evaluation of novel N-(4-phenoxybenzyl)aniline derivatives targeting acetylcholinesterase, β-amyloid aggregation and oxidative stress to treat Alzheimer's disease. Bioorg Med Chem, Volume 27 (16), 2019";ChEMBL
MM471033;MM471033;Nc1cccc(Cl)c1Oc1ccc(CNc2ccccc2)cc1;QVDXMPUCBFHBLV-UHFFFAOYSA-N;324.81;5.33;155540924;;;CHEMBL4517373;BBB;EPAM;25;0;"ph = 7.4, <a href=https://www.ebi.ac.uk/chembl/assay_report_card/CHEMBL4350094/  target=_blank>CHEMBL4350094</a>";;;;;;;;;-5.2;;;;;;;;;;;;"Srivastava P, Tripathi PN, Sharma P, Shrivastava SK.: Design, synthesis, and evaluation of novel N-(4-phenoxybenzyl)aniline derivatives targeting acetylcholinesterase, β-amyloid aggregation and oxidative stress to treat Alzheimer's disease. Bioorg Med Chem, Volume 27 (16), 2019";ChEMBL
MM471039;MM471039;Nc1cccc(Cl)c1Oc1ccc(CNc2ccc(Br)cc2)cc1;PIKDMEISNZLIII-UHFFFAOYSA-N;403.71;6.09;155541278;;;CHEMBL4518298;BBB;EPAM;25;0;"ph = 7.4, <a href=https://www.ebi.ac.uk/chembl/assay_report_card/CHEMBL4350094/  target=_blank>CHEMBL4350094</a>";;;;;;;;;-5.46;;;;;;;;;;;;"Srivastava P, Tripathi PN, Sharma P, Shrivastava SK.: Design, synthesis, and evaluation of novel N-(4-phenoxybenzyl)aniline derivatives targeting acetylcholinesterase, β-amyloid aggregation and oxidative stress to treat Alzheimer's disease. Bioorg Med Chem, Volume 27 (16), 2019";ChEMBL
MM471034;MM471034;Nc1cccc(Cl)c1Oc1ccc(CNc2cccc(Cl)c2)cc1;WNKMKPQNJAKEGI-UHFFFAOYSA-N;359.26;5.98;155545085;;;CHEMBL4528790;BBB;EPAM;25;0;"ph = 7.4, <a href=https://www.ebi.ac.uk/chembl/assay_report_card/CHEMBL4350094/  target=_blank>CHEMBL4350094</a>";;;;;;;;;-5.25;;;;;;;;;;;;"Srivastava P, Tripathi PN, Sharma P, Shrivastava SK.: Design, synthesis, and evaluation of novel N-(4-phenoxybenzyl)aniline derivatives targeting acetylcholinesterase, β-amyloid aggregation and oxidative stress to treat Alzheimer's disease. Bioorg Med Chem, Volume 27 (16), 2019";ChEMBL
MM471032;MM471032;Cc1cc(N)nc2cc(-c3ccc(OCc4cncs4)c(CN)c3)ccc12;SHBUNLMNTXCFTE-UHFFFAOYSA-N;376.49;4.29;146025980;;;CHEMBL4534970;BBB;EPAM;25;0;"ph = 7.4, <a href=https://www.ebi.ac.uk/chembl/assay_report_card/CHEMBL4346028/  target=_blank>CHEMBL4346028</a>";;;;;;;;;-5.15;;;;;;;;;;;;"Cinelli MA, Reidl CT, Li H, Chreifi G, Poulos TL, Silverman RB.: First Contact: 7-Phenyl-2-Aminoquinolines, Potent and Selective Neuronal Nitric Oxide Synthase Inhibitors That Target an Isoform-Specific Aspartate. J Med Chem, Volume 63 (9), 2020";ChEMBL
MM471037;MM471037;Nc1cccc(Cl)c1Oc1ccc(CNc2cccc(O)c2)cc1;QWWFKMFYKDRACG-UHFFFAOYSA-N;340.81;5.03;155556671;;;CHEMBL4556097;BBB;EPAM;25;0;"ph = 7.4, <a href=https://www.ebi.ac.uk/chembl/assay_report_card/CHEMBL4350094/  target=_blank>CHEMBL4350094</a>";;;;;;;;;-5.26;;;;;;;;;;;;"Srivastava P, Tripathi PN, Sharma P, Shrivastava SK.: Design, synthesis, and evaluation of novel N-(4-phenoxybenzyl)aniline derivatives targeting acetylcholinesterase, β-amyloid aggregation and oxidative stress to treat Alzheimer's disease. Bioorg Med Chem, Volume 27 (16), 2019";ChEMBL
MM471036;MM471036;COc1cccc(NCc2ccc(Oc3c(N)cccc3Cl)cc2)c1;XQQWLYKHCORLFB-UHFFFAOYSA-N;354.84;5.34;155560793;;;CHEMBL4568241;BBB;EPAM;25;0;"ph = 7.4, <a href=https://www.ebi.ac.uk/chembl/assay_report_card/CHEMBL4350094/  target=_blank>CHEMBL4350094</a>";;;;;;;;;-5.33;;;;;;;;;;;;"Srivastava P, Tripathi PN, Sharma P, Shrivastava SK.: Design, synthesis, and evaluation of novel N-(4-phenoxybenzyl)aniline derivatives targeting acetylcholinesterase, β-amyloid aggregation and oxidative stress to treat Alzheimer's disease. Bioorg Med Chem, Volume 27 (16), 2019";ChEMBL
MM471031;MM471031;Cc1cc(N)nc2cc(-c3ccc(OCc4cccnc4)c(CN)c3)ccc12;RSZQDXJFSPTWRD-UHFFFAOYSA-N;370.46;4.23;146025977;;;CHEMBL4576585;BBB;EPAM;25;0;"ph = 7.4, <a href=https://www.ebi.ac.uk/chembl/assay_report_card/CHEMBL4346028/  target=_blank>CHEMBL4346028</a>";;;;;;;;;-5.09;;;;;;;;;;;;"Cinelli MA, Reidl CT, Li H, Chreifi G, Poulos TL, Silverman RB.: First Contact: 7-Phenyl-2-Aminoquinolines, Potent and Selective Neuronal Nitric Oxide Synthase Inhibitors That Target an Isoform-Specific Aspartate. J Med Chem, Volume 63 (9), 2020";ChEMBL
Donepezil;MM00482;COc1cc2c(cc1OC)C(=O)C(CC1CCN(Cc3ccccc3)CC1)C2;ADEBPBSSDYVVLD-UHFFFAOYSA-N;379.5;4.36;3152;DB00843;;CHEMBL502;BBB;EPAM;25;0;"ph = 7.4, <a href=https://www.ebi.ac.uk/chembl/assay_report_card/CHEMBL4330471/  target=_blank>CHEMBL4330471</a>";;;;;;;;;-5.12;;;;;;;;;;;;"Srivastava P, Tripathi PN, Sharma P, Rai SN, Singh SP, Srivastava RK, Shankar S, Shrivastava SK.: Design and development of some phenyl benzoxazole derivatives as a potent acetylcholinesterase inhibitor with antioxidant property to enhance learning and memory. Eur J Med Chem, Volume 163, 2019";ChEMBL
Donepezil;MM00482;COc1cc2c(cc1OC)C(=O)C(CC1CCN(Cc3ccccc3)CC1)C2;ADEBPBSSDYVVLD-UHFFFAOYSA-N;379.5;4.36;3152;DB00843;;CHEMBL502;BBB;EPAM;25;0;"ph = 7.4, <a href=https://www.ebi.ac.uk/chembl/assay_report_card/CHEMBL4339328/  target=_blank>CHEMBL4339328</a>";;;;;;;;;-4.66;;;;;;;;;;;;"AlFadly ED, Elzahhar PA, Tramarin A, Elkazaz S, Shaltout H, Abu-Serie MM, Janockova J, Soukup O, Ghareeb DA, El-Yazbi AF, Rafeh RW, Bakkar NZ, Kobeissy F, Iriepa I, Moraleda I, Saudi MNS, Bartolini M, Belal ASF.: Tackling neuroinflammation and cholinergic deficit in Alzheimer's disease: Multi-target inhibitors of cholinesterases, cyclooxygenase-2 and 15-lipoxygenase. Eur J Med Chem, Volume 167, 2019";ChEMBL
MM471029;MM471029;"CN/C(=C\[N+](=O)[O-])NCCSCc1ccc(CN(C)C)o1";VMXUWOKSQNHOCA-UKTHLTGXSA-N;314.41;1.46;;;;;BBB;EPAM;25;+1,-1;"ph = 7.4, <a href=https://www.ebi.ac.uk/chembl/assay_report_card/CHEMBL4339328/  target=_blank>CHEMBL4339328</a>";;;;;;;;;-7.4;;;;;;;;;;;;"AlFadly ED, Elzahhar PA, Tramarin A, Elkazaz S, Shaltout H, Abu-Serie MM, Janockova J, Soukup O, Ghareeb DA, El-Yazbi AF, Rafeh RW, Bakkar NZ, Kobeissy F, Iriepa I, Moraleda I, Saudi MNS, Bartolini M, Belal ASF.: Tackling neuroinflammation and cholinergic deficit in Alzheimer's disease: Multi-target inhibitors of cholinesterases, cyclooxygenase-2 and 15-lipoxygenase. Eur J Med Chem, Volume 167, 2019";ChEMBL
Piroxicam;MM00682;CN1C(C(=O)Nc2ccccn2)=C(O)c2ccccc2S1(=O)=O;QYSPLQLAKJAUJT-UHFFFAOYSA-N;331.35;1.58;54676228;DB00554;;CHEMBL527;BBB;EPAM;25;0;"ph = 7.4, <a href=https://www.ebi.ac.uk/chembl/assay_report_card/CHEMBL4179548/  target=_blank>CHEMBL4179548</a>";;;;;;;;;-5.6;;;;;;;;;;;;"Yang HL, Cai P, Liu QH, Yang XL, Fang SQ, Tang YW, Wang C, Wang XB, Kong LY.: Design, synthesis, and evaluation of salicyladimine derivatives as multitarget-directed ligands against Alzheimer's disease. Bioorg Med Chem, Volume 25 (21), 2017";ChEMBL
Piroxicam;MM00682;CN1C(C(=O)Nc2ccccn2)=C(O)c2ccccc2S1(=O)=O;QYSPLQLAKJAUJT-UHFFFAOYSA-N;331.35;1.58;54676228;DB00554;;CHEMBL527;BBB;EPAM;25;0;"ph = 7.4, <a href=https://www.ebi.ac.uk/chembl/assay_report_card/CHEMBL4050058/  target=_blank>CHEMBL4050058</a>";;;;;;;;;-5.6;;;;;;;;;;;;"Monjas L, Arce MP, León R, Egea J, Pérez C, Villarroya M, López MG, Gil C, Conde S, Rodríguez-Franco MI.: Enzymatic and solid-phase synthesis of new donepezil-based L- and d-glutamic acid derivatives and their pharmacological evaluation in models related to Alzheimer's disease and cerebral ischemia. Eur J Med Chem, Volume 130, 2017";ChEMBL
Piroxicam;MM00682;CN1C(C(=O)Nc2ccccn2)=C(O)c2ccccc2S1(=O)=O;QYSPLQLAKJAUJT-UHFFFAOYSA-N;331.35;1.58;54676228;DB00554;;CHEMBL527;BBB;EPAM;25;0;"ph = 7.4, <a href=https://www.ebi.ac.uk/chembl/assay_report_card/CHEMBL4011778/  target=_blank>CHEMBL4011778</a>";;;;;;;;;-5.6;;;;;;;;;;;;"Sang Z, Pan W, Wang K, Ma Q, Yu L, Yang Y, Bai P, Leng C, Xu Q, Li X, Tan Z, Liu W.: Design, synthesis and evaluation of novel ferulic acid-O-alkylamine derivatives as potential multifunctional agents for the treatment of Alzheimer's disease. Eur J Med Chem, Volume 130, 2017";ChEMBL
Piroxicam;MM00682;CN1C(C(=O)Nc2ccccn2)=C(O)c2ccccc2S1(=O)=O;QYSPLQLAKJAUJT-UHFFFAOYSA-N;331.35;1.58;54676228;DB00554;;CHEMBL527;BBB;EPAM;25;0;"ph = 7.4, <a href=https://www.ebi.ac.uk/chembl/assay_report_card/CHEMBL4049964/  target=_blank>CHEMBL4049964</a>";;;;;;;;;-5.6;;;;;;;;;;;;"Xia CL, Wang N, Guo QL, Liu ZQ, Wu JQ, Huang SL, Ou TM, Tan JH, Wang HG, Li D, Huang ZS.: Design, synthesis and evaluation of 2-arylethenyl-N-methylquinolinium derivatives as effective multifunctional agents for Alzheimer's disease treatment. Eur J Med Chem, Volume 130, 2017";ChEMBL
Piroxicam;MM00682;CN1C(C(=O)Nc2ccccn2)=C(O)c2ccccc2S1(=O)=O;QYSPLQLAKJAUJT-UHFFFAOYSA-N;331.35;1.58;54676228;DB00554;;CHEMBL527;BBB;EPAM;25;0;"ph = 7.4, <a href=https://www.ebi.ac.uk/chembl/assay_report_card/CHEMBL4142615/  target=_blank>CHEMBL4142615</a>";;;;;;;;;-5.6;;;;;;;;;;;;"Xu YX, Wang H, Li XK, Dong SN, Liu WW, Gong Q, Wang TD, Tang Y, Zhu J, Li J, Zhang HY, Mao F.: Discovery of novel propargylamine-modified 4-aminoalkyl imidazole substituted pyrimidinylthiourea derivatives as multifunctional agents for the treatment of Alzheimer's disease. Eur J Med Chem, Volume 143, 2018";ChEMBL
Lomefloxacin;MM00764;CCn1cc(C(=O)O)c(=O)c2cc(F)c(N3CCNC(C)C3)c(F)c21;ZEKZLJVOYLTDKK-UHFFFAOYSA-N;351.35;1.8;3948;DB00978;;CHEMBL561;BBB;EPAM;25;0;"ph = 7.4, <a href=https://www.ebi.ac.uk/chembl/assay_report_card/CHEMBL4055314/  target=_blank>CHEMBL4055314</a>";;;;;;;;;-5.72;;;;;;;;;;;;"Li F, Wu JJ, Wang J, Yang XL, Cai P, Liu QH, Kong LY, Wang XB.: Synthesis and pharmacological evaluation of novel chromone derivatives as balanced multifunctional agents against Alzheimer's disease. Bioorg Med Chem, Volume 25 (14), 2017";ChEMBL
Lomefloxacin;MM00764;CCn1cc(C(=O)O)c(=O)c2cc(F)c(N3CCNC(C)C3)c(F)c21;ZEKZLJVOYLTDKK-UHFFFAOYSA-N;351.35;1.8;3948;DB00978;;CHEMBL561;BBB;EPAM;25;0;"ph = 7.4, <a href=https://www.ebi.ac.uk/chembl/assay_report_card/CHEMBL4179548/  target=_blank>CHEMBL4179548</a>";;;;;;;;;-5.96;;;;;;;;;;;;"Yang HL, Cai P, Liu QH, Yang XL, Fang SQ, Tang YW, Wang C, Wang XB, Kong LY.: Design, synthesis, and evaluation of salicyladimine derivatives as multitarget-directed ligands against Alzheimer's disease. Bioorg Med Chem, Volume 25 (21), 2017";ChEMBL
Lomefloxacin;MM00764;CCn1cc(C(=O)O)c(=O)c2cc(F)c(N3CCNC(C)C3)c(F)c21;ZEKZLJVOYLTDKK-UHFFFAOYSA-N;351.35;1.8;3948;DB00978;;CHEMBL561;BBB;EPAM;25;0;"ph = 7.4, <a href=https://www.ebi.ac.uk/chembl/assay_report_card/CHEMBL4350094/  target=_blank>CHEMBL4350094</a>";;;;;;;;;-6.51;;;;;;;;;;;;"Srivastava P, Tripathi PN, Sharma P, Shrivastava SK.: Design, synthesis, and evaluation of novel N-(4-phenoxybenzyl)aniline derivatives targeting acetylcholinesterase, β-amyloid aggregation and oxidative stress to treat Alzheimer's disease. Bioorg Med Chem, Volume 27 (16), 2019";ChEMBL
Lomefloxacin;MM00764;CCn1cc(C(=O)O)c(=O)c2cc(F)c(N3CCNC(C)C3)c(F)c21;ZEKZLJVOYLTDKK-UHFFFAOYSA-N;351.35;1.8;3948;DB00978;;CHEMBL561;BBB;EPAM;25;0;"ph = 7.4, <a href=https://www.ebi.ac.uk/chembl/assay_report_card/CHEMBL4050058/  target=_blank>CHEMBL4050058</a>";;;;;;;;;-5.96;;;;;;;;;;;;"Monjas L, Arce MP, León R, Egea J, Pérez C, Villarroya M, López MG, Gil C, Conde S, Rodríguez-Franco MI.: Enzymatic and solid-phase synthesis of new donepezil-based L- and d-glutamic acid derivatives and their pharmacological evaluation in models related to Alzheimer's disease and cerebral ischemia. Eur J Med Chem, Volume 130, 2017";ChEMBL
Lomefloxacin;MM00764;CCn1cc(C(=O)O)c(=O)c2cc(F)c(N3CCNC(C)C3)c(F)c21;ZEKZLJVOYLTDKK-UHFFFAOYSA-N;351.35;1.8;3948;DB00978;;CHEMBL561;BBB;EPAM;25;0;"ph = 7.4, <a href=https://www.ebi.ac.uk/chembl/assay_report_card/CHEMBL4049964/  target=_blank>CHEMBL4049964</a>";;;;;;;;;-5.96;;;;;;;;;;;;"Xia CL, Wang N, Guo QL, Liu ZQ, Wu JQ, Huang SL, Ou TM, Tan JH, Wang HG, Li D, Huang ZS.: Design, synthesis and evaluation of 2-arylethenyl-N-methylquinolinium derivatives as effective multifunctional agents for Alzheimer's disease treatment. Eur J Med Chem, Volume 130, 2017";ChEMBL
Lomefloxacin;MM00764;CCn1cc(C(=O)O)c(=O)c2cc(F)c(N3CCNC(C)C3)c(F)c21;ZEKZLJVOYLTDKK-UHFFFAOYSA-N;351.35;1.8;3948;DB00978;;CHEMBL561;BBB;EPAM;25;0;"ph = 7.4, <a href=https://www.ebi.ac.uk/chembl/assay_report_card/CHEMBL4142615/  target=_blank>CHEMBL4142615</a>";;;;;;;;;-5.96;;;;;;;;;;;;"Xu YX, Wang H, Li XK, Dong SN, Liu WW, Gong Q, Wang TD, Tang Y, Zhu J, Li J, Zhang HY, Mao F.: Discovery of novel propargylamine-modified 4-aminoalkyl imidazole substituted pyrimidinylthiourea derivatives as multifunctional agents for the treatment of Alzheimer's disease. Eur J Med Chem, Volume 143, 2018";ChEMBL
Lomefloxacin;MM00764;CCn1cc(C(=O)O)c(=O)c2cc(F)c(N3CCNC(C)C3)c(F)c21;ZEKZLJVOYLTDKK-UHFFFAOYSA-N;351.35;1.8;3948;DB00978;;CHEMBL561;BBB;EPAM;25;0;"ph = 7.4, <a href=https://www.ebi.ac.uk/chembl/assay_report_card/CHEMBL4330471/  target=_blank>CHEMBL4330471</a>";;;;;;;;;-6.51;;;;;;;;;;;;"Srivastava P, Tripathi PN, Sharma P, Rai SN, Singh SP, Srivastava RK, Shankar S, Shrivastava SK.: Design and development of some phenyl benzoxazole derivatives as a potent acetylcholinesterase inhibitor with antioxidant property to enhance learning and memory. Eur J Med Chem, Volume 163, 2019";ChEMBL
Promazine;MM00780;CN(C)CCCN1c2ccccc2Sc2ccccc21;ZGUGWUXLJSTTMA-UHFFFAOYSA-N;284.43;4.24;4926;DB00420;P2Z;CHEMBL564;BBB;EPAM;25;0;"ph = 7.4, <a href=https://www.ebi.ac.uk/chembl/assay_report_card/CHEMBL4050058/  target=_blank>CHEMBL4050058</a>";;;;;;;;;-5.06;;;;;;;;;;;;"Monjas L, Arce MP, León R, Egea J, Pérez C, Villarroya M, López MG, Gil C, Conde S, Rodríguez-Franco MI.: Enzymatic and solid-phase synthesis of new donepezil-based L- and d-glutamic acid derivatives and their pharmacological evaluation in models related to Alzheimer's disease and cerebral ischemia. Eur J Med Chem, Volume 130, 2017";ChEMBL
Promazine;MM00780;CN(C)CCCN1c2ccccc2Sc2ccccc21;ZGUGWUXLJSTTMA-UHFFFAOYSA-N;284.43;4.24;4926;DB00420;P2Z;CHEMBL564;BBB;EPAM;25;0;"ph = 7.4, <a href=https://www.ebi.ac.uk/chembl/assay_report_card/CHEMBL4049964/  target=_blank>CHEMBL4049964</a>";;;;;;;;;-5.06;;;;;;;;;;;;"Xia CL, Wang N, Guo QL, Liu ZQ, Wu JQ, Huang SL, Ou TM, Tan JH, Wang HG, Li D, Huang ZS.: Design, synthesis and evaluation of 2-arylethenyl-N-methylquinolinium derivatives as effective multifunctional agents for Alzheimer's disease treatment. Eur J Med Chem, Volume 130, 2017";ChEMBL
L-dopamine;MM00483;NCCc1ccc(O)c(O)c1;VYFYYTLLBUKUHU-UHFFFAOYSA-N;153.18;0.6;681;DB00988;LDP;CHEMBL59;BBB;EPAM;25;0;"ph = 7.4, <a href=https://www.ebi.ac.uk/chembl/assay_report_card/CHEMBL4055314/  target=_blank>CHEMBL4055314</a>";;;;;;;;;-6.1;;;;;;;;;;;;"Li F, Wu JJ, Wang J, Yang XL, Cai P, Liu QH, Kong LY, Wang XB.: Synthesis and pharmacological evaluation of novel chromone derivatives as balanced multifunctional agents against Alzheimer's disease. Bioorg Med Chem, Volume 25 (14), 2017";ChEMBL
L-dopamine;MM00483;NCCc1ccc(O)c(O)c1;VYFYYTLLBUKUHU-UHFFFAOYSA-N;153.18;0.6;681;DB00988;LDP;CHEMBL59;BBB;EPAM;25;0;"ph = 7.4, <a href=https://www.ebi.ac.uk/chembl/assay_report_card/CHEMBL4350094/  target=_blank>CHEMBL4350094</a>";;;;;;;;;-6.74;;;;;;;;;;;;"Srivastava P, Tripathi PN, Sharma P, Shrivastava SK.: Design, synthesis, and evaluation of novel N-(4-phenoxybenzyl)aniline derivatives targeting acetylcholinesterase, β-amyloid aggregation and oxidative stress to treat Alzheimer's disease. Bioorg Med Chem, Volume 27 (16), 2019";ChEMBL
L-dopamine;MM00483;NCCc1ccc(O)c(O)c1;VYFYYTLLBUKUHU-UHFFFAOYSA-N;153.18;0.6;681;DB00988;LDP;CHEMBL59;BBB;EPAM;25;0;"ph = 7.4, <a href=https://www.ebi.ac.uk/chembl/assay_report_card/CHEMBL4330471/  target=_blank>CHEMBL4330471</a>";;;;;;;;;-6.74;;;;;;;;;;;;"Srivastava P, Tripathi PN, Sharma P, Rai SN, Singh SP, Srivastava RK, Shankar S, Shrivastava SK.: Design and development of some phenyl benzoxazole derivatives as a potent acetylcholinesterase inhibitor with antioxidant property to enhance learning and memory. Eur J Med Chem, Volume 163, 2019";ChEMBL
L-dopamine;MM00483;NCCc1ccc(O)c(O)c1;VYFYYTLLBUKUHU-UHFFFAOYSA-N;153.18;0.6;681;DB00988;LDP;CHEMBL59;BBB;EPAM;25;0;"ph = 7.4, <a href=https://www.ebi.ac.uk/chembl/assay_report_card/CHEMBL4346027/  target=_blank>CHEMBL4346027</a>";;;;;;;;;-6.7;;;;;;;;;;;;"Cinelli MA, Reidl CT, Li H, Chreifi G, Poulos TL, Silverman RB.: First Contact: 7-Phenyl-2-Aminoquinolines, Potent and Selective Neuronal Nitric Oxide Synthase Inhibitors That Target an Isoform-Specific Aspartate. J Med Chem, Volume 63 (9), 2020";ChEMBL
L-dopamine;MM00483;NCCc1ccc(O)c(O)c1;VYFYYTLLBUKUHU-UHFFFAOYSA-N;153.18;0.6;681;DB00988;LDP;CHEMBL59;BBB;EPAM;25;0;"ph = 7.4, <a href=https://www.ebi.ac.uk/chembl/assay_report_card/CHEMBL4346028/  target=_blank>CHEMBL4346028</a>";;;;;;;;;-6.9;;;;;;;;;;;;"Cinelli MA, Reidl CT, Li H, Chreifi G, Poulos TL, Silverman RB.: First Contact: 7-Phenyl-2-Aminoquinolines, Potent and Selective Neuronal Nitric Oxide Synthase Inhibitors That Target an Isoform-Specific Aspartate. J Med Chem, Volume 63 (9), 2020";ChEMBL
MM471028;MM471028;CCN(C)C(=O)Oc1cccc(C(C)N(C)C)c1;XSVMFMHYUFZWBK-NSHDSACASA-N;250.34;2.76;77991;;;CHEMBL636;BBB;EPAM;25;0;"ph = 7.4, <a href=https://www.ebi.ac.uk/chembl/assay_report_card/CHEMBL4339328/  target=_blank>CHEMBL4339328</a>";;;;;;;;;-4.73;;;;;;;;;;;;"AlFadly ED, Elzahhar PA, Tramarin A, Elkazaz S, Shaltout H, Abu-Serie MM, Janockova J, Soukup O, Ghareeb DA, El-Yazbi AF, Rafeh RW, Bakkar NZ, Kobeissy F, Iriepa I, Moraleda I, Saudi MNS, Bartolini M, Belal ASF.: Tackling neuroinflammation and cholinergic deficit in Alzheimer's disease: Multi-target inhibitors of cholinesterases, cyclooxygenase-2 and 15-lipoxygenase. Eur J Med Chem, Volume 167, 2019";ChEMBL
Alprazolam;MM00329;Cc1nnc2n1-c1ccc(Cl)cc1C(c1ccccc1)=NC2;IYQBGWNRKQNSIE-LQAWEQHXSA-N;314.82;2.62;2118;DB00404;08H;CHEMBL661;BBB;EPAM;25;0;"ph = 7.4, <a href=https://www.ebi.ac.uk/chembl/assay_report_card/CHEMBL4350094/  target=_blank>CHEMBL4350094</a>";;;;;;;;;-5.38;;;;;;;;;;;;"Srivastava P, Tripathi PN, Sharma P, Shrivastava SK.: Design, synthesis, and evaluation of novel N-(4-phenoxybenzyl)aniline derivatives targeting acetylcholinesterase, β-amyloid aggregation and oxidative stress to treat Alzheimer's disease. Bioorg Med Chem, Volume 27 (16), 2019";ChEMBL
Alprazolam;MM00329;Cc1nnc2n1-c1ccc(Cl)cc1C(c1ccccc1)=NC2;IYQBGWNRKQNSIE-LQAWEQHXSA-N;314.82;2.62;2118;DB00404;08H;CHEMBL661;BBB;EPAM;25;0;"ph = 7.4, <a href=https://www.ebi.ac.uk/chembl/assay_report_card/CHEMBL4330471/  target=_blank>CHEMBL4330471</a>";;;;;;;;;-5.38;;;;;;;;;;;;"Srivastava P, Tripathi PN, Sharma P, Rai SN, Singh SP, Srivastava RK, Shankar S, Shrivastava SK.: Design and development of some phenyl benzoxazole derivatives as a potent acetylcholinesterase inhibitor with antioxidant property to enhance learning and memory. Eur J Med Chem, Volume 163, 2019";ChEMBL
MM471025;MM471025;CCCCCCCCCCCCC(O)C1CCC(C(O)CCCCC(O)CCCCCC(O)CC2=CC(C)OC2=O)O1;XNODZYPOIPVPRF-CGWDHHCXSA-N;596.89;7.06;354398;;;CHEMBL67945;BBB;EPAM;25;0;"ph = 7.4, <a href=https://www.ebi.ac.uk/chembl/assay_report_card/CHEMBL4199445/  target=_blank>CHEMBL4199445</a>";;;;;;;;;-6.29;;;;;;;;;;;;"Monsen PJ, Luzzio FA.: Antiangiogenic Activity and Chemical Derivatization of the Neurotoxic Acetogenin Annonacin Isolated from Asimina triloba. J Nat Prod, Volume 81 (8), 2018";ChEMBL
Verapamil;MM00585;COc1ccc(CCN(C)CCCC(C#N)(c2ccc(OC)c(OC)c2)C(C)C)cc1OC;SGTNSNPWRIOYBX-UHFFFAOYSA-N;454.61;5.09;2520;DB00661;;CHEMBL6966;BBB;EPAM;25;0;"ph = 7.4, <a href=https://www.ebi.ac.uk/chembl/assay_report_card/CHEMBL3871993/  target=_blank>CHEMBL3871993</a>";;;;;;;;;-4.1;;;;;;;;;;;;"Košak U, Knez D, Coquelle N, Brus B, Pišlar A, Nachon F, Brazzolotto X, Kos J, Colletier JP, Gobec S.: N-Propargylpiperidines with naphthalene-2-carboxamide or naphthalene-2-sulfonamide moieties: Potential multifunctional anti-Alzheimer's agents. Bioorg Med Chem, Volume 25 (2), 2017";ChEMBL
Verapamil;MM00585;COc1ccc(CCN(C)CCCC(C#N)(c2ccc(OC)c(OC)c2)C(C)C)cc1OC;SGTNSNPWRIOYBX-UHFFFAOYSA-N;454.61;5.09;2520;DB00661;;CHEMBL6966;BBB;EPAM;25;0;"ph = 7.4, <a href=https://www.ebi.ac.uk/chembl/assay_report_card/CHEMBL4055314/  target=_blank>CHEMBL4055314</a>";;;;;;;;;-4.8;;;;;;;;;;;;"Li F, Wu JJ, Wang J, Yang XL, Cai P, Liu QH, Kong LY, Wang XB.: Synthesis and pharmacological evaluation of novel chromone derivatives as balanced multifunctional agents against Alzheimer's disease. Bioorg Med Chem, Volume 25 (14), 2017";ChEMBL
Verapamil;MM00585;COc1ccc(CCN(C)CCCC(C#N)(c2ccc(OC)c(OC)c2)C(C)C)cc1OC;SGTNSNPWRIOYBX-UHFFFAOYSA-N;454.61;5.09;2520;DB00661;;CHEMBL6966;BBB;EPAM;25;0;"ph = 7.4, <a href=https://www.ebi.ac.uk/chembl/assay_report_card/CHEMBL4179548/  target=_blank>CHEMBL4179548</a>";;;;;;;;;-4.8;;;;;;;;;;;;"Yang HL, Cai P, Liu QH, Yang XL, Fang SQ, Tang YW, Wang C, Wang XB, Kong LY.: Design, synthesis, and evaluation of salicyladimine derivatives as multitarget-directed ligands against Alzheimer's disease. Bioorg Med Chem, Volume 25 (21), 2017";ChEMBL
Verapamil;MM00585;COc1ccc(CCN(C)CCCC(C#N)(c2ccc(OC)c(OC)c2)C(C)C)cc1OC;SGTNSNPWRIOYBX-UHFFFAOYSA-N;454.61;5.09;2520;DB00661;;CHEMBL6966;BBB;EPAM;25;0;"ph = 7.4, <a href=https://www.ebi.ac.uk/chembl/assay_report_card/CHEMBL4350094/  target=_blank>CHEMBL4350094</a>";;;;;;;;;-4.8;;;;;;;;;;;;"Srivastava P, Tripathi PN, Sharma P, Shrivastava SK.: Design, synthesis, and evaluation of novel N-(4-phenoxybenzyl)aniline derivatives targeting acetylcholinesterase, β-amyloid aggregation and oxidative stress to treat Alzheimer's disease. Bioorg Med Chem, Volume 27 (16), 2019";ChEMBL
Verapamil;MM00585;COc1ccc(CCN(C)CCCC(C#N)(c2ccc(OC)c(OC)c2)C(C)C)cc1OC;SGTNSNPWRIOYBX-UHFFFAOYSA-N;454.61;5.09;2520;DB00661;;CHEMBL6966;BBB;EPAM;25;0;"ph = 7.4, <a href=https://www.ebi.ac.uk/chembl/assay_report_card/CHEMBL3996838/  target=_blank>CHEMBL3996838</a>";;;;;;;;;-4.46;;;;;;;;;;;;"Tzvetkov NT, Stammler HG, Neumann B, Hristova S, Antonov L, Gastreich M.: Crystal structures, binding interactions, and ADME evaluation of brain penetrant N-substituted indazole-5-carboxamides as subnanomolar, selective monoamine oxidase B and dual MAO-A/B inhibitors. Eur J Med Chem, Volume 127, 2017";ChEMBL
Verapamil;MM00585;COc1ccc(CCN(C)CCCC(C#N)(c2ccc(OC)c(OC)c2)C(C)C)cc1OC;SGTNSNPWRIOYBX-UHFFFAOYSA-N;454.61;5.09;2520;DB00661;;CHEMBL6966;BBB;EPAM;25;0;"ph = 7.4, <a href=https://www.ebi.ac.uk/chembl/assay_report_card/CHEMBL3996839/  target=_blank>CHEMBL3996839</a>";;;;;;;;;-4.54;;;;;;;;;;;;"Tzvetkov NT, Stammler HG, Neumann B, Hristova S, Antonov L, Gastreich M.: Crystal structures, binding interactions, and ADME evaluation of brain penetrant N-substituted indazole-5-carboxamides as subnanomolar, selective monoamine oxidase B and dual MAO-A/B inhibitors. Eur J Med Chem, Volume 127, 2017";ChEMBL
Verapamil;MM00585;COc1ccc(CCN(C)CCCC(C#N)(c2ccc(OC)c(OC)c2)C(C)C)cc1OC;SGTNSNPWRIOYBX-UHFFFAOYSA-N;454.61;5.09;2520;DB00661;;CHEMBL6966;BBB;EPAM;25;0;"ph = 7.4, <a href=https://www.ebi.ac.uk/chembl/assay_report_card/CHEMBL3996840/  target=_blank>CHEMBL3996840</a>";;;;;;;;;-4.69;;;;;;;;;;;;"Tzvetkov NT, Stammler HG, Neumann B, Hristova S, Antonov L, Gastreich M.: Crystal structures, binding interactions, and ADME evaluation of brain penetrant N-substituted indazole-5-carboxamides as subnanomolar, selective monoamine oxidase B and dual MAO-A/B inhibitors. Eur J Med Chem, Volume 127, 2017";ChEMBL
Verapamil;MM00585;COc1ccc(CCN(C)CCCC(C#N)(c2ccc(OC)c(OC)c2)C(C)C)cc1OC;SGTNSNPWRIOYBX-UHFFFAOYSA-N;454.61;5.09;2520;DB00661;;CHEMBL6966;BBB;EPAM;25;0;"ph = 7.4, <a href=https://www.ebi.ac.uk/chembl/assay_report_card/CHEMBL3996842/  target=_blank>CHEMBL3996842</a>";;;;;;;;;-4.8;;;;;;;;;;;;"Tzvetkov NT, Stammler HG, Neumann B, Hristova S, Antonov L, Gastreich M.: Crystal structures, binding interactions, and ADME evaluation of brain penetrant N-substituted indazole-5-carboxamides as subnanomolar, selective monoamine oxidase B and dual MAO-A/B inhibitors. Eur J Med Chem, Volume 127, 2017";ChEMBL
Verapamil;MM00585;COc1ccc(CCN(C)CCCC(C#N)(c2ccc(OC)c(OC)c2)C(C)C)cc1OC;SGTNSNPWRIOYBX-UHFFFAOYSA-N;454.61;5.09;2520;DB00661;;CHEMBL6966;BBB;EPAM;25;0;"ph = 7.4, <a href=https://www.ebi.ac.uk/chembl/assay_report_card/CHEMBL3996843/  target=_blank>CHEMBL3996843</a>";;;;;;;;;-3.8;;;;;;;;;;;;"Tzvetkov NT, Stammler HG, Neumann B, Hristova S, Antonov L, Gastreich M.: Crystal structures, binding interactions, and ADME evaluation of brain penetrant N-substituted indazole-5-carboxamides as subnanomolar, selective monoamine oxidase B and dual MAO-A/B inhibitors. Eur J Med Chem, Volume 127, 2017";ChEMBL
Verapamil;MM00585;COc1ccc(CCN(C)CCCC(C#N)(c2ccc(OC)c(OC)c2)C(C)C)cc1OC;SGTNSNPWRIOYBX-UHFFFAOYSA-N;454.61;5.09;2520;DB00661;;CHEMBL6966;BBB;EPAM;25;0;"ph = 7.4, <a href=https://www.ebi.ac.uk/chembl/assay_report_card/CHEMBL4050057/  target=_blank>CHEMBL4050057</a>";;;;;;;;;-4.69;;;;;;;;;;;;"Monjas L, Arce MP, León R, Egea J, Pérez C, Villarroya M, López MG, Gil C, Conde S, Rodríguez-Franco MI.: Enzymatic and solid-phase synthesis of new donepezil-based L- and d-glutamic acid derivatives and their pharmacological evaluation in models related to Alzheimer's disease and cerebral ischemia. Eur J Med Chem, Volume 130, 2017";ChEMBL
Verapamil;MM00585;COc1ccc(CCN(C)CCCC(C#N)(c2ccc(OC)c(OC)c2)C(C)C)cc1OC;SGTNSNPWRIOYBX-UHFFFAOYSA-N;454.61;5.09;2520;DB00661;;CHEMBL6966;BBB;EPAM;25;0;"ph = 7.4, <a href=https://www.ebi.ac.uk/chembl/assay_report_card/CHEMBL4050058/  target=_blank>CHEMBL4050058</a>";;;;;;;;;-4.8;;;;;;;;;;;;"Monjas L, Arce MP, León R, Egea J, Pérez C, Villarroya M, López MG, Gil C, Conde S, Rodríguez-Franco MI.: Enzymatic and solid-phase synthesis of new donepezil-based L- and d-glutamic acid derivatives and their pharmacological evaluation in models related to Alzheimer's disease and cerebral ischemia. Eur J Med Chem, Volume 130, 2017";ChEMBL
Verapamil;MM00585;COc1ccc(CCN(C)CCCC(C#N)(c2ccc(OC)c(OC)c2)C(C)C)cc1OC;SGTNSNPWRIOYBX-UHFFFAOYSA-N;454.61;5.09;2520;DB00661;;CHEMBL6966;BBB;EPAM;25;0;"ph = 7.4, <a href=https://www.ebi.ac.uk/chembl/assay_report_card/CHEMBL4011778/  target=_blank>CHEMBL4011778</a>";;;;;;;;;-4.8;;;;;;;;;;;;"Sang Z, Pan W, Wang K, Ma Q, Yu L, Yang Y, Bai P, Leng C, Xu Q, Li X, Tan Z, Liu W.: Design, synthesis and evaluation of novel ferulic acid-O-alkylamine derivatives as potential multifunctional agents for the treatment of Alzheimer's disease. Eur J Med Chem, Volume 130, 2017";ChEMBL
Verapamil;MM00585;COc1ccc(CCN(C)CCCC(C#N)(c2ccc(OC)c(OC)c2)C(C)C)cc1OC;SGTNSNPWRIOYBX-UHFFFAOYSA-N;454.61;5.09;2520;DB00661;;CHEMBL6966;BBB;EPAM;25;0;"ph = 7.4, <a href=https://www.ebi.ac.uk/chembl/assay_report_card/CHEMBL4049964/  target=_blank>CHEMBL4049964</a>";;;;;;;;;-4.8;;;;;;;;;;;;"Xia CL, Wang N, Guo QL, Liu ZQ, Wu JQ, Huang SL, Ou TM, Tan JH, Wang HG, Li D, Huang ZS.: Design, synthesis and evaluation of 2-arylethenyl-N-methylquinolinium derivatives as effective multifunctional agents for Alzheimer's disease treatment. Eur J Med Chem, Volume 130, 2017";ChEMBL
Verapamil;MM00585;COc1ccc(CCN(C)CCCC(C#N)(c2ccc(OC)c(OC)c2)C(C)C)cc1OC;SGTNSNPWRIOYBX-UHFFFAOYSA-N;454.61;5.09;2520;DB00661;;CHEMBL6966;BBB;EPAM;25;0;"ph = 7.4, <a href=https://www.ebi.ac.uk/chembl/assay_report_card/CHEMBL4330471/  target=_blank>CHEMBL4330471</a>";;;;;;;;;-4.71;;;;;;;;;;;;"Srivastava P, Tripathi PN, Sharma P, Rai SN, Singh SP, Srivastava RK, Shankar S, Shrivastava SK.: Design and development of some phenyl benzoxazole derivatives as a potent acetylcholinesterase inhibitor with antioxidant property to enhance learning and memory. Eur J Med Chem, Volume 163, 2019";ChEMBL
Verapamil;MM00585;COc1ccc(CCN(C)CCCC(C#N)(c2ccc(OC)c(OC)c2)C(C)C)cc1OC;SGTNSNPWRIOYBX-UHFFFAOYSA-N;454.61;5.09;2520;DB00661;;CHEMBL6966;BBB;EPAM;25;0;"ph = 7.4, <a href=https://www.ebi.ac.uk/chembl/assay_report_card/CHEMBL4346027/  target=_blank>CHEMBL4346027</a>";;;;;;;;;-4.8;;;;;;;;;;;;"Cinelli MA, Reidl CT, Li H, Chreifi G, Poulos TL, Silverman RB.: First Contact: 7-Phenyl-2-Aminoquinolines, Potent and Selective Neuronal Nitric Oxide Synthase Inhibitors That Target an Isoform-Specific Aspartate. J Med Chem, Volume 63 (9), 2020";ChEMBL
Verapamil;MM00585;COc1ccc(CCN(C)CCCC(C#N)(c2ccc(OC)c(OC)c2)C(C)C)cc1OC;SGTNSNPWRIOYBX-UHFFFAOYSA-N;454.61;5.09;2520;DB00661;;CHEMBL6966;BBB;EPAM;25;0;"ph = 7.4, <a href=https://www.ebi.ac.uk/chembl/assay_report_card/CHEMBL4346028/  target=_blank>CHEMBL4346028</a>";;;;;;;;;-4.73;;;;;;;;;;;;"Cinelli MA, Reidl CT, Li H, Chreifi G, Poulos TL, Silverman RB.: First Contact: 7-Phenyl-2-Aminoquinolines, Potent and Selective Neuronal Nitric Oxide Synthase Inhibitors That Target an Isoform-Specific Aspartate. J Med Chem, Volume 63 (9), 2020";ChEMBL
Chlorpromazine;MM00461;CN(C)CCCN1c2ccccc2Sc2ccc(Cl)cc21;ZPEIMTDSQAKGNT-UHFFFAOYSA-N;318.87;4.89;2726;DB00477;Z80;CHEMBL71;BBB;EPAM;25;0;"ph = 7.4, <a href=https://www.ebi.ac.uk/chembl/assay_report_card/CHEMBL4050058/  target=_blank>CHEMBL4050058</a>";;;;;;;;;-5.19;;;;;;;;;;;;"Monjas L, Arce MP, León R, Egea J, Pérez C, Villarroya M, López MG, Gil C, Conde S, Rodríguez-Franco MI.: Enzymatic and solid-phase synthesis of new donepezil-based L- and d-glutamic acid derivatives and their pharmacological evaluation in models related to Alzheimer's disease and cerebral ischemia. Eur J Med Chem, Volume 130, 2017";ChEMBL
Chlorpromazine;MM00461;CN(C)CCCN1c2ccccc2Sc2ccc(Cl)cc21;ZPEIMTDSQAKGNT-UHFFFAOYSA-N;318.87;4.89;2726;DB00477;Z80;CHEMBL71;BBB;EPAM;25;0;"ph = 7.4, <a href=https://www.ebi.ac.uk/chembl/assay_report_card/CHEMBL4049964/  target=_blank>CHEMBL4049964</a>";;;;;;;;;-5.19;;;;;;;;;;;;"Xia CL, Wang N, Guo QL, Liu ZQ, Wu JQ, Huang SL, Ou TM, Tan JH, Wang HG, Li D, Huang ZS.: Design, synthesis and evaluation of 2-arylethenyl-N-methylquinolinium derivatives as effective multifunctional agents for Alzheimer's disease treatment. Eur J Med Chem, Volume 130, 2017";ChEMBL
Chlorpromazine;MM00461;CN(C)CCCN1c2ccccc2Sc2ccc(Cl)cc21;ZPEIMTDSQAKGNT-UHFFFAOYSA-N;318.87;4.89;2726;DB00477;Z80;CHEMBL71;BBB;EPAM;25;0;"ph = 7.4, <a href=https://www.ebi.ac.uk/chembl/assay_report_card/CHEMBL4330471/  target=_blank>CHEMBL4330471</a>";;;;;;;;;-5.24;;;;;;;;;;;;"Srivastava P, Tripathi PN, Sharma P, Rai SN, Singh SP, Srivastava RK, Shankar S, Shrivastava SK.: Design and development of some phenyl benzoxazole derivatives as a potent acetylcholinesterase inhibitor with antioxidant property to enhance learning and memory. Eur J Med Chem, Volume 163, 2019";ChEMBL
Chlorpromazine;MM00461;CN(C)CCCN1c2ccccc2Sc2ccc(Cl)cc21;ZPEIMTDSQAKGNT-UHFFFAOYSA-N;318.87;4.89;2726;DB00477;Z80;CHEMBL71;BBB;EPAM;25;0;"ph = 7.4, <a href=https://www.ebi.ac.uk/chembl/assay_report_card/CHEMBL4346027/  target=_blank>CHEMBL4346027</a>";;;;;;;;;-5.19;;;;;;;;;;;;"Cinelli MA, Reidl CT, Li H, Chreifi G, Poulos TL, Silverman RB.: First Contact: 7-Phenyl-2-Aminoquinolines, Potent and Selective Neuronal Nitric Oxide Synthase Inhibitors That Target an Isoform-Specific Aspartate. J Med Chem, Volume 63 (9), 2020";ChEMBL
Chlorpromazine;MM00461;CN(C)CCCN1c2ccccc2Sc2ccc(Cl)cc21;ZPEIMTDSQAKGNT-UHFFFAOYSA-N;318.87;4.89;2726;DB00477;Z80;CHEMBL71;BBB;EPAM;25;0;"ph = 7.4, <a href=https://www.ebi.ac.uk/chembl/assay_report_card/CHEMBL4346028/  target=_blank>CHEMBL4346028</a>";;;;;;;;;-5.05;;;;;;;;;;;;"Cinelli MA, Reidl CT, Li H, Chreifi G, Poulos TL, Silverman RB.: First Contact: 7-Phenyl-2-Aminoquinolines, Potent and Selective Neuronal Nitric Oxide Synthase Inhibitors That Target an Isoform-Specific Aspartate. J Med Chem, Volume 63 (9), 2020";ChEMBL
Desipramine;MM00474;CNCCCN1c2ccccc2CCc2ccccc21;HCYAFALTSJYZDH-UHFFFAOYSA-N;266.39;3.53;2995;DB01151;DSM;CHEMBL72;BBB;EPAM;25;0;"ph = 7.4, <a href=https://www.ebi.ac.uk/chembl/assay_report_card/CHEMBL4050058/  target=_blank>CHEMBL4050058</a>";;;;;;;;;-4.92;;;;;;;;;;;;"Monjas L, Arce MP, León R, Egea J, Pérez C, Villarroya M, López MG, Gil C, Conde S, Rodríguez-Franco MI.: Enzymatic and solid-phase synthesis of new donepezil-based L- and d-glutamic acid derivatives and their pharmacological evaluation in models related to Alzheimer's disease and cerebral ischemia. Eur J Med Chem, Volume 130, 2017";ChEMBL
Desipramine;MM00474;CNCCCN1c2ccccc2CCc2ccccc21;HCYAFALTSJYZDH-UHFFFAOYSA-N;266.39;3.53;2995;DB01151;DSM;CHEMBL72;BBB;EPAM;25;0;"ph = 7.4, <a href=https://www.ebi.ac.uk/chembl/assay_report_card/CHEMBL4049964/  target=_blank>CHEMBL4049964</a>";;;;;;;;;-4.92;;;;;;;;;;;;"Xia CL, Wang N, Guo QL, Liu ZQ, Wu JQ, Huang SL, Ou TM, Tan JH, Wang HG, Li D, Huang ZS.: Design, synthesis and evaluation of 2-arylethenyl-N-methylquinolinium derivatives as effective multifunctional agents for Alzheimer's disease treatment. Eur J Med Chem, Volume 130, 2017";ChEMBL
Lidocaine;MM00092;CCN(CC)CC(=O)Nc1c(C)cccc1C;NNJVILVZKWQKPM-UHFFFAOYSA-N;234.34;2.58;3676;DB00281;LQZ;CHEMBL79;BBB;EPAM;25;0;"ph = 7.4, <a href=https://www.ebi.ac.uk/chembl/assay_report_card/CHEMBL3871993/  target=_blank>CHEMBL3871993</a>";;;;;;;;;-4.6;;;;;;;;;;;;"Košak U, Knez D, Coquelle N, Brus B, Pišlar A, Nachon F, Brazzolotto X, Kos J, Colletier JP, Gobec S.: N-Propargylpiperidines with naphthalene-2-carboxamide or naphthalene-2-sulfonamide moieties: Potential multifunctional anti-Alzheimer's agents. Bioorg Med Chem, Volume 25 (2), 2017";ChEMBL
Enoxacin;MM00733;CCn1cc(C(=O)O)c(=O)c2cc(F)c(N3CCNCC3)nc21;IDYZIJYBMGIQMJ-UHFFFAOYSA-N;320.32;0.66;3229;DB00467;;CHEMBL826;BBB;EPAM;25;0;"ph = 7.4, <a href=https://www.ebi.ac.uk/chembl/assay_report_card/CHEMBL4050058/  target=_blank>CHEMBL4050058</a>";;;;;;;;;-6.05;;;;;;;;;;;;"Monjas L, Arce MP, León R, Egea J, Pérez C, Villarroya M, López MG, Gil C, Conde S, Rodríguez-Franco MI.: Enzymatic and solid-phase synthesis of new donepezil-based L- and d-glutamic acid derivatives and their pharmacological evaluation in models related to Alzheimer's disease and cerebral ischemia. Eur J Med Chem, Volume 130, 2017";ChEMBL
Enoxacin;MM00733;CCn1cc(C(=O)O)c(=O)c2cc(F)c(N3CCNCC3)nc21;IDYZIJYBMGIQMJ-UHFFFAOYSA-N;320.32;0.66;3229;DB00467;;CHEMBL826;BBB;EPAM;25;0;"ph = 7.4, <a href=https://www.ebi.ac.uk/chembl/assay_report_card/CHEMBL4011778/  target=_blank>CHEMBL4011778</a>";;;;;;;;;-6.05;;;;;;;;;;;;"Sang Z, Pan W, Wang K, Ma Q, Yu L, Yang Y, Bai P, Leng C, Xu Q, Li X, Tan Z, Liu W.: Design, synthesis and evaluation of novel ferulic acid-O-alkylamine derivatives as potential multifunctional agents for the treatment of Alzheimer's disease. Eur J Med Chem, Volume 130, 2017";ChEMBL
Enoxacin;MM00733;CCn1cc(C(=O)O)c(=O)c2cc(F)c(N3CCNCC3)nc21;IDYZIJYBMGIQMJ-UHFFFAOYSA-N;320.32;0.66;3229;DB00467;;CHEMBL826;BBB;EPAM;25;0;"ph = 7.4, <a href=https://www.ebi.ac.uk/chembl/assay_report_card/CHEMBL4142615/  target=_blank>CHEMBL4142615</a>";;;;;;;;;-6.05;;;;;;;;;;;;"Xu YX, Wang H, Li XK, Dong SN, Liu WW, Gong Q, Wang TD, Tang Y, Zhu J, Li J, Zhang HY, Mao F.: Discovery of novel propargylamine-modified 4-aminoalkyl imidazole substituted pyrimidinylthiourea derivatives as multifunctional agents for the treatment of Alzheimer's disease. Eur J Med Chem, Volume 143, 2018";ChEMBL
Chlorothiazide;MM00641;NS(=O)(=O)c1cc2c(cc1Cl)NC=NS2(=O)=O;JBMKAUGHUNFTOL-UHFFFAOYSA-N;295.73;0.13;2720;DB00880;;CHEMBL842;BBB;EPAM;25;0;"ph = 7.4, <a href=https://www.ebi.ac.uk/chembl/assay_report_card/CHEMBL4339328/  target=_blank>CHEMBL4339328</a>";;;;;;;;;-6.18;;;;;;;;;;;;"AlFadly ED, Elzahhar PA, Tramarin A, Elkazaz S, Shaltout H, Abu-Serie MM, Janockova J, Soukup O, Ghareeb DA, El-Yazbi AF, Rafeh RW, Bakkar NZ, Kobeissy F, Iriepa I, Moraleda I, Saudi MNS, Bartolini M, Belal ASF.: Tackling neuroinflammation and cholinergic deficit in Alzheimer's disease: Multi-target inhibitors of cholinesterases, cyclooxygenase-2 and 15-lipoxygenase. Eur J Med Chem, Volume 167, 2019";ChEMBL
Norfloxacin;MM00768;CCn1cc(C(=O)O)c(=O)c2cc(F)c(N3CCNCC3)cc21;OGJPXUAPXNRGGI-UHFFFAOYSA-N;319.34;1.27;4539;DB01059;;CHEMBL9;BBB;EPAM;25;0;"ph = 7.4, <a href=https://www.ebi.ac.uk/chembl/assay_report_card/CHEMBL4011778/  target=_blank>CHEMBL4011778</a>";;;;;;;;;-7;;;;;;;;;;;;"Sang Z, Pan W, Wang K, Ma Q, Yu L, Yang Y, Bai P, Leng C, Xu Q, Li X, Tan Z, Liu W.: Design, synthesis and evaluation of novel ferulic acid-O-alkylamine derivatives as potential multifunctional agents for the treatment of Alzheimer's disease. Eur J Med Chem, Volume 130, 2017";ChEMBL
Tacrine;MM00305;Nc1c2c(nc3ccccc13)CCCC2;YLJREFDVOIBQDA-UHFFFAOYSA-N;198.27;2.7;1935;DB00382;THA;CHEMBL95;BBB;EPAM;25;0;"ph = 7.4, <a href=https://www.ebi.ac.uk/chembl/assay_report_card/CHEMBL4339328/  target=_blank>CHEMBL4339328</a>";;;;;;;;;-5.23;;;;;;;;;;;;"AlFadly ED, Elzahhar PA, Tramarin A, Elkazaz S, Shaltout H, Abu-Serie MM, Janockova J, Soukup O, Ghareeb DA, El-Yazbi AF, Rafeh RW, Bakkar NZ, Kobeissy F, Iriepa I, Moraleda I, Saudi MNS, Bartolini M, Belal ASF.: Tackling neuroinflammation and cholinergic deficit in Alzheimer's disease: Multi-target inhibitors of cholinesterases, cyclooxygenase-2 and 15-lipoxygenase. Eur J Med Chem, Volume 167, 2019";ChEMBL
Pefloxacin;MM00770;CCn1cc(C(=O)O)c(=O)c2cc(F)c(N3CCN(C)CC3)cc21;FHFYDNQZQSQIAI-UHFFFAOYSA-N;333.36;1.61;51081;DB00487;;CHEMBL267648;CALU3;ECALU3;25;0;"<a href=https://www.ebi.ac.uk/chembl/assay_report_card/CHEMBL1220654/  target=_blank>CHEMBL1220654</a>";;;;;;;;;-5.15;;;;;;;;;;;;"Brillault J, De Castro WV, Couet W.: Relative contributions of active mediated transport and passive diffusion of fluoroquinolones with various lipophilicities in a Calu-3 lung epithelial cell model. Antimicrob Agents Chemother, Volume 54 (1), 2010";ChEMBL
Pefloxacin;MM00770;CCn1cc(C(=O)O)c(=O)c2cc(F)c(N3CCN(C)CC3)cc21;FHFYDNQZQSQIAI-UHFFFAOYSA-N;333.36;1.61;51081;DB00487;;CHEMBL267648;CALU3;ECALU3;25;0;"<a href=https://www.ebi.ac.uk/chembl/assay_report_card/CHEMBL1220655/  target=_blank>CHEMBL1220655</a>";;;;;;;;;-5.01;;;;;;;;;;;;"Brillault J, De Castro WV, Couet W.: Relative contributions of active mediated transport and passive diffusion of fluoroquinolones with various lipophilicities in a Calu-3 lung epithelial cell model. Antimicrob Agents Chemother, Volume 54 (1), 2010";ChEMBL
Pefloxacin;MM00770;CCn1cc(C(=O)O)c(=O)c2cc(F)c(N3CCN(C)CC3)cc21;FHFYDNQZQSQIAI-UHFFFAOYSA-N;333.36;1.61;51081;DB00487;;CHEMBL267648;CALU3;ECALU3;25;0;"<a href=https://www.ebi.ac.uk/chembl/assay_report_card/CHEMBL1220657/  target=_blank>CHEMBL1220657</a>";;;;;;;;;-5.06;;;;;;;;;;;;"Brillault J, De Castro WV, Couet W.: Relative contributions of active mediated transport and passive diffusion of fluoroquinolones with various lipophilicities in a Calu-3 lung epithelial cell model. Antimicrob Agents Chemother, Volume 54 (1), 2010";ChEMBL
Pefloxacin;MM00770;CCn1cc(C(=O)O)c(=O)c2cc(F)c(N3CCN(C)CC3)cc21;FHFYDNQZQSQIAI-UHFFFAOYSA-N;333.36;1.61;51081;DB00487;;CHEMBL267648;CALU3;ECALU3;25;0;"<a href=https://www.ebi.ac.uk/chembl/assay_report_card/CHEMBL1220658/  target=_blank>CHEMBL1220658</a>";;;;;;;;;-5.06;;;;;;;;;;;;"Brillault J, De Castro WV, Couet W.: Relative contributions of active mediated transport and passive diffusion of fluoroquinolones with various lipophilicities in a Calu-3 lung epithelial cell model. Antimicrob Agents Chemother, Volume 54 (1), 2010";ChEMBL
Moxifloxacin;MM00767;COc1c(N2C[C@@H]3CCCN[C@@H]3C2)c(F)cc2c(=O)c(C(=O)O)cn(C3CC3)c12;FABPRXSRWADJSP-MEDUHNTESA-N;401.44;2.37;152946;DB00218;MFX;CHEMBL32;CALU3;ECALU3;25;0;"<a href=https://www.ebi.ac.uk/chembl/assay_report_card/CHEMBL1697384/  target=_blank>CHEMBL1697384</a>";;;;;;;;;0.95;;;;;;;;;;;;"Marchand S, Gobin P, Brillault J, Baptista S, Adier C, Olivier JC, Mimoz O, Couet W.: Aerosol therapy with colistin methanesulfonate: a biopharmaceutical issue illustrated in rats. Antimicrob Agents Chemother, Volume 54 (9), 2010";ChEMBL
Moxifloxacin;MM00767;COc1c(N2C[C@@H]3CCCN[C@@H]3C2)c(F)cc2c(=O)c(C(=O)O)cn(C3CC3)c12;FABPRXSRWADJSP-MEDUHNTESA-N;401.44;2.37;152946;DB00218;MFX;CHEMBL32;CALU3;ECALU3;25;0;"<a href=https://www.ebi.ac.uk/chembl/assay_report_card/CHEMBL1220654/  target=_blank>CHEMBL1220654</a>";;;;;;;;;-5.3;;;;;;;;;;;;"Brillault J, De Castro WV, Couet W.: Relative contributions of active mediated transport and passive diffusion of fluoroquinolones with various lipophilicities in a Calu-3 lung epithelial cell model. Antimicrob Agents Chemother, Volume 54 (1), 2010";ChEMBL
Moxifloxacin;MM00767;COc1c(N2C[C@@H]3CCCN[C@@H]3C2)c(F)cc2c(=O)c(C(=O)O)cn(C3CC3)c12;FABPRXSRWADJSP-MEDUHNTESA-N;401.44;2.37;152946;DB00218;MFX;CHEMBL32;CALU3;ECALU3;25;0;"<a href=https://www.ebi.ac.uk/chembl/assay_report_card/CHEMBL1220655/  target=_blank>CHEMBL1220655</a>";;;;;;;;;-4.98;;;;;;;;;;;;"Brillault J, De Castro WV, Couet W.: Relative contributions of active mediated transport and passive diffusion of fluoroquinolones with various lipophilicities in a Calu-3 lung epithelial cell model. Antimicrob Agents Chemother, Volume 54 (1), 2010";ChEMBL
Moxifloxacin;MM00767;COc1c(N2C[C@@H]3CCCN[C@@H]3C2)c(F)cc2c(=O)c(C(=O)O)cn(C3CC3)c12;FABPRXSRWADJSP-MEDUHNTESA-N;401.44;2.37;152946;DB00218;MFX;CHEMBL32;CALU3;ECALU3;25;0;"<a href=https://www.ebi.ac.uk/chembl/assay_report_card/CHEMBL1220657/  target=_blank>CHEMBL1220657</a>";;;;;;;;;-5.08;;;;;;;;;;;;"Brillault J, De Castro WV, Couet W.: Relative contributions of active mediated transport and passive diffusion of fluoroquinolones with various lipophilicities in a Calu-3 lung epithelial cell model. Antimicrob Agents Chemother, Volume 54 (1), 2010";ChEMBL
Moxifloxacin;MM00767;COc1c(N2C[C@@H]3CCCN[C@@H]3C2)c(F)cc2c(=O)c(C(=O)O)cn(C3CC3)c12;FABPRXSRWADJSP-MEDUHNTESA-N;401.44;2.37;152946;DB00218;MFX;CHEMBL32;CALU3;ECALU3;25;0;"<a href=https://www.ebi.ac.uk/chembl/assay_report_card/CHEMBL1220658/  target=_blank>CHEMBL1220658</a>";;;;;;;;;-5.11;;;;;;;;;;;;"Brillault J, De Castro WV, Couet W.: Relative contributions of active mediated transport and passive diffusion of fluoroquinolones with various lipophilicities in a Calu-3 lung epithelial cell model. Antimicrob Agents Chemother, Volume 54 (1), 2010";ChEMBL
Moxifloxacin;MM00767;COc1c(N2C[C@@H]3CCCN[C@@H]3C2)c(F)cc2c(=O)c(C(=O)O)cn(C3CC3)c12;FABPRXSRWADJSP-MEDUHNTESA-N;401.44;2.37;152946;DB00218;MFX;CHEMBL32;CALU3;ECALU3;25;0;"<a href=https://www.ebi.ac.uk/chembl/assay_report_card/CHEMBL1662080/  target=_blank>CHEMBL1662080</a>";;;;;;;;;-4.87;;;;;;;;;;;;"Brillault J, De Castro WV, Harnois T, Kitzis A, Olivier JC, Couet W.: P-glycoprotein-mediated transport of moxifloxacin in a Calu-3 lung epithelial cell model. Antimicrob Agents Chemother, Volume 53 (4), 2009";ChEMBL
Moxifloxacin;MM00767;COc1c(N2C[C@@H]3CCCN[C@@H]3C2)c(F)cc2c(=O)c(C(=O)O)cn(C3CC3)c12;FABPRXSRWADJSP-MEDUHNTESA-N;401.44;2.37;152946;DB00218;MFX;CHEMBL32;CALU3;ECALU3;25;0;"<a href=https://www.ebi.ac.uk/chembl/assay_report_card/CHEMBL1662081/  target=_blank>CHEMBL1662081</a>";;;;;;;;;-5.09;;;;;;;;;;;;"Brillault J, De Castro WV, Harnois T, Kitzis A, Olivier JC, Couet W.: P-glycoprotein-mediated transport of moxifloxacin in a Calu-3 lung epithelial cell model. Antimicrob Agents Chemother, Volume 53 (4), 2009";ChEMBL
Moxifloxacin;MM00767;COc1c(N2C[C@@H]3CCCN[C@@H]3C2)c(F)cc2c(=O)c(C(=O)O)cn(C3CC3)c12;FABPRXSRWADJSP-MEDUHNTESA-N;401.44;2.37;152946;DB00218;MFX;CHEMBL32;CALU3;ECALU3;25;0;"<a href=https://www.ebi.ac.uk/chembl/assay_report_card/CHEMBL1662082/  target=_blank>CHEMBL1662082</a>";;;;;;;;;-5.05;;;;;;;;;;;;"Brillault J, De Castro WV, Harnois T, Kitzis A, Olivier JC, Couet W.: P-glycoprotein-mediated transport of moxifloxacin in a Calu-3 lung epithelial cell model. Antimicrob Agents Chemother, Volume 53 (4), 2009";ChEMBL
Moxifloxacin;MM00767;COc1c(N2C[C@@H]3CCCN[C@@H]3C2)c(F)cc2c(=O)c(C(=O)O)cn(C3CC3)c12;FABPRXSRWADJSP-MEDUHNTESA-N;401.44;2.37;152946;DB00218;MFX;CHEMBL32;CALU3;ECALU3;25;0;"<a href=https://www.ebi.ac.uk/chembl/assay_report_card/CHEMBL1662083/  target=_blank>CHEMBL1662083</a>";;;;;;;;;-5.35;;;;;;;;;;;;"Brillault J, De Castro WV, Harnois T, Kitzis A, Olivier JC, Couet W.: P-glycoprotein-mediated transport of moxifloxacin in a Calu-3 lung epithelial cell model. Antimicrob Agents Chemother, Volume 53 (4), 2009";ChEMBL
Moxifloxacin;MM00767;COc1c(N2C[C@@H]3CCCN[C@@H]3C2)c(F)cc2c(=O)c(C(=O)O)cn(C3CC3)c12;FABPRXSRWADJSP-MEDUHNTESA-N;401.44;2.37;152946;DB00218;MFX;CHEMBL32;CALU3;ECALU3;25;0;"<a href=https://www.ebi.ac.uk/chembl/assay_report_card/CHEMBL1662084/  target=_blank>CHEMBL1662084</a>";;;;;;;;;-5.36;;;;;;;;;;;;"Brillault J, De Castro WV, Harnois T, Kitzis A, Olivier JC, Couet W.: P-glycoprotein-mediated transport of moxifloxacin in a Calu-3 lung epithelial cell model. Antimicrob Agents Chemother, Volume 53 (4), 2009";ChEMBL
Moxifloxacin;MM00767;COc1c(N2C[C@@H]3CCCN[C@@H]3C2)c(F)cc2c(=O)c(C(=O)O)cn(C3CC3)c12;FABPRXSRWADJSP-MEDUHNTESA-N;401.44;2.37;152946;DB00218;MFX;CHEMBL32;CALU3;ECALU3;25;0;"<a href=https://www.ebi.ac.uk/chembl/assay_report_card/CHEMBL1662085/  target=_blank>CHEMBL1662085</a>";;;;;;;;;-5.39;;;;;;;;;;;;"Brillault J, De Castro WV, Harnois T, Kitzis A, Olivier JC, Couet W.: P-glycoprotein-mediated transport of moxifloxacin in a Calu-3 lung epithelial cell model. Antimicrob Agents Chemother, Volume 53 (4), 2009";ChEMBL
Moxifloxacin;MM00767;COc1c(N2C[C@@H]3CCCN[C@@H]3C2)c(F)cc2c(=O)c(C(=O)O)cn(C3CC3)c12;FABPRXSRWADJSP-MEDUHNTESA-N;401.44;2.37;152946;DB00218;MFX;CHEMBL32;CALU3;ECALU3;25;0;"<a href=https://www.ebi.ac.uk/chembl/assay_report_card/CHEMBL1662086/  target=_blank>CHEMBL1662086</a>";;;;;;;;;-5.09;;;;;;;;;;;;"Brillault J, De Castro WV, Harnois T, Kitzis A, Olivier JC, Couet W.: P-glycoprotein-mediated transport of moxifloxacin in a Calu-3 lung epithelial cell model. Antimicrob Agents Chemother, Volume 53 (4), 2009";ChEMBL
Moxifloxacin;MM00767;COc1c(N2C[C@@H]3CCCN[C@@H]3C2)c(F)cc2c(=O)c(C(=O)O)cn(C3CC3)c12;FABPRXSRWADJSP-MEDUHNTESA-N;401.44;2.37;152946;DB00218;MFX;CHEMBL32;CALU3;ECALU3;25;0;"<a href=https://www.ebi.ac.uk/chembl/assay_report_card/CHEMBL1662087/  target=_blank>CHEMBL1662087</a>";;;;;;;;;-5.11;;;;;;;;;;;;"Brillault J, De Castro WV, Harnois T, Kitzis A, Olivier JC, Couet W.: P-glycoprotein-mediated transport of moxifloxacin in a Calu-3 lung epithelial cell model. Antimicrob Agents Chemother, Volume 53 (4), 2009";ChEMBL
Moxifloxacin;MM00767;COc1c(N2C[C@@H]3CCCN[C@@H]3C2)c(F)cc2c(=O)c(C(=O)O)cn(C3CC3)c12;FABPRXSRWADJSP-MEDUHNTESA-N;401.44;2.37;152946;DB00218;MFX;CHEMBL32;CALU3;ECALU3;25;0;"<a href=https://www.ebi.ac.uk/chembl/assay_report_card/CHEMBL1662088/  target=_blank>CHEMBL1662088</a>";;;;;;;;;-5.02;;;;;;;;;;;;"Brillault J, De Castro WV, Harnois T, Kitzis A, Olivier JC, Couet W.: P-glycoprotein-mediated transport of moxifloxacin in a Calu-3 lung epithelial cell model. Antimicrob Agents Chemother, Volume 53 (4), 2009";ChEMBL
Moxifloxacin;MM00767;COc1c(N2C[C@@H]3CCCN[C@@H]3C2)c(F)cc2c(=O)c(C(=O)O)cn(C3CC3)c12;FABPRXSRWADJSP-MEDUHNTESA-N;401.44;2.37;152946;DB00218;MFX;CHEMBL32;CALU3;ECALU3;25;0;"<a href=https://www.ebi.ac.uk/chembl/assay_report_card/CHEMBL1662089/  target=_blank>CHEMBL1662089</a>";;;;;;;;;-4.93;;;;;;;;;;;;"Brillault J, De Castro WV, Harnois T, Kitzis A, Olivier JC, Couet W.: P-glycoprotein-mediated transport of moxifloxacin in a Calu-3 lung epithelial cell model. Antimicrob Agents Chemother, Volume 53 (4), 2009";ChEMBL
Moxifloxacin;MM00767;COc1c(N2C[C@@H]3CCCN[C@@H]3C2)c(F)cc2c(=O)c(C(=O)O)cn(C3CC3)c12;FABPRXSRWADJSP-MEDUHNTESA-N;401.44;2.37;152946;DB00218;MFX;CHEMBL32;CALU3;ECALU3;25;0;"<a href=https://www.ebi.ac.uk/chembl/assay_report_card/CHEMBL1662090/  target=_blank>CHEMBL1662090</a>";;;;;;;;;-4.9;;;;;;;;;;;;"Brillault J, De Castro WV, Harnois T, Kitzis A, Olivier JC, Couet W.: P-glycoprotein-mediated transport of moxifloxacin in a Calu-3 lung epithelial cell model. Antimicrob Agents Chemother, Volume 53 (4), 2009";ChEMBL
Moxifloxacin;MM00767;COc1c(N2C[C@@H]3CCCN[C@@H]3C2)c(F)cc2c(=O)c(C(=O)O)cn(C3CC3)c12;FABPRXSRWADJSP-MEDUHNTESA-N;401.44;2.37;152946;DB00218;MFX;CHEMBL32;CALU3;ECALU3;25;0;"<a href=https://www.ebi.ac.uk/chembl/assay_report_card/CHEMBL1662091/  target=_blank>CHEMBL1662091</a>";;;;;;;;;-6;;;;;;;;;;;;"Brillault J, De Castro WV, Harnois T, Kitzis A, Olivier JC, Couet W.: P-glycoprotein-mediated transport of moxifloxacin in a Calu-3 lung epithelial cell model. Antimicrob Agents Chemother, Volume 53 (4), 2009";ChEMBL
Moxifloxacin;MM00767;COc1c(N2C[C@@H]3CCCN[C@@H]3C2)c(F)cc2c(=O)c(C(=O)O)cn(C3CC3)c12;FABPRXSRWADJSP-MEDUHNTESA-N;401.44;2.37;152946;DB00218;MFX;CHEMBL32;CALU3;ECALU3;25;0;"<a href=https://www.ebi.ac.uk/chembl/assay_report_card/CHEMBL1662092/  target=_blank>CHEMBL1662092</a>";;;;;;;;;-6.05;;;;;;;;;;;;"Brillault J, De Castro WV, Harnois T, Kitzis A, Olivier JC, Couet W.: P-glycoprotein-mediated transport of moxifloxacin in a Calu-3 lung epithelial cell model. Antimicrob Agents Chemother, Volume 53 (4), 2009";ChEMBL
Moxifloxacin;MM00767;COc1c(N2C[C@@H]3CCCN[C@@H]3C2)c(F)cc2c(=O)c(C(=O)O)cn(C3CC3)c12;FABPRXSRWADJSP-MEDUHNTESA-N;401.44;2.37;152946;DB00218;MFX;CHEMBL32;CALU3;ECALU3;25;0;"<a href=https://www.ebi.ac.uk/chembl/assay_report_card/CHEMBL1662093/  target=_blank>CHEMBL1662093</a>";;;;;;;;;-5.66;;;;;;;;;;;;"Brillault J, De Castro WV, Harnois T, Kitzis A, Olivier JC, Couet W.: P-glycoprotein-mediated transport of moxifloxacin in a Calu-3 lung epithelial cell model. Antimicrob Agents Chemother, Volume 53 (4), 2009";ChEMBL
Moxifloxacin;MM00767;COc1c(N2C[C@@H]3CCCN[C@@H]3C2)c(F)cc2c(=O)c(C(=O)O)cn(C3CC3)c12;FABPRXSRWADJSP-MEDUHNTESA-N;401.44;2.37;152946;DB00218;MFX;CHEMBL32;CALU3;ECALU3;25;0;"<a href=https://www.ebi.ac.uk/chembl/assay_report_card/CHEMBL1662919/  target=_blank>CHEMBL1662919</a>";;;;;;;;;-5.57;;;;;;;;;;;;"Brillault J, De Castro WV, Harnois T, Kitzis A, Olivier JC, Couet W.: P-glycoprotein-mediated transport of moxifloxacin in a Calu-3 lung epithelial cell model. Antimicrob Agents Chemother, Volume 53 (4), 2009";ChEMBL
Moxifloxacin;MM00767;COc1c(N2C[C@@H]3CCCN[C@@H]3C2)c(F)cc2c(=O)c(C(=O)O)cn(C3CC3)c12;FABPRXSRWADJSP-MEDUHNTESA-N;401.44;2.37;152946;DB00218;MFX;CHEMBL32;CALU3;ECALU3;25;0;"<a href=https://www.ebi.ac.uk/chembl/assay_report_card/CHEMBL1662920/  target=_blank>CHEMBL1662920</a>";;;;;;;;;-5.51;;;;;;;;;;;;"Brillault J, De Castro WV, Harnois T, Kitzis A, Olivier JC, Couet W.: P-glycoprotein-mediated transport of moxifloxacin in a Calu-3 lung epithelial cell model. Antimicrob Agents Chemother, Volume 53 (4), 2009";ChEMBL
Moxifloxacin;MM00767;COc1c(N2C[C@@H]3CCCN[C@@H]3C2)c(F)cc2c(=O)c(C(=O)O)cn(C3CC3)c12;FABPRXSRWADJSP-MEDUHNTESA-N;401.44;2.37;152946;DB00218;MFX;CHEMBL32;CALU3;ECALU3;25;0;"<a href=https://www.ebi.ac.uk/chembl/assay_report_card/CHEMBL1662921/  target=_blank>CHEMBL1662921</a>";;;;;;;;;-4.87;;;;;;;;;;;;"Brillault J, De Castro WV, Harnois T, Kitzis A, Olivier JC, Couet W.: P-glycoprotein-mediated transport of moxifloxacin in a Calu-3 lung epithelial cell model. Antimicrob Agents Chemother, Volume 53 (4), 2009";ChEMBL
Moxifloxacin;MM00767;COc1c(N2C[C@@H]3CCCN[C@@H]3C2)c(F)cc2c(=O)c(C(=O)O)cn(C3CC3)c12;FABPRXSRWADJSP-MEDUHNTESA-N;401.44;2.37;152946;DB00218;MFX;CHEMBL32;CALU3;ECALU3;25;0;"<a href=https://www.ebi.ac.uk/chembl/assay_report_card/CHEMBL1662924/  target=_blank>CHEMBL1662924</a>";;;;;;;;;-5.1;;;;;;;;;;;;"Brillault J, De Castro WV, Harnois T, Kitzis A, Olivier JC, Couet W.: P-glycoprotein-mediated transport of moxifloxacin in a Calu-3 lung epithelial cell model. Antimicrob Agents Chemother, Volume 53 (4), 2009";ChEMBL
Moxifloxacin;MM00767;COc1c(N2C[C@@H]3CCCN[C@@H]3C2)c(F)cc2c(=O)c(C(=O)O)cn(C3CC3)c12;FABPRXSRWADJSP-MEDUHNTESA-N;401.44;2.37;152946;DB00218;MFX;CHEMBL32;CALU3;ECALU3;25;0;"<a href=https://www.ebi.ac.uk/chembl/assay_report_card/CHEMBL1662927/  target=_blank>CHEMBL1662927</a>";;;;;;;;;-5.1;;;;;;;;;;;;"Brillault J, De Castro WV, Harnois T, Kitzis A, Olivier JC, Couet W.: P-glycoprotein-mediated transport of moxifloxacin in a Calu-3 lung epithelial cell model. Antimicrob Agents Chemother, Volume 53 (4), 2009";ChEMBL
Moxifloxacin;MM00767;COc1c(N2C[C@@H]3CCCN[C@@H]3C2)c(F)cc2c(=O)c(C(=O)O)cn(C3CC3)c12;FABPRXSRWADJSP-MEDUHNTESA-N;401.44;2.37;152946;DB00218;MFX;CHEMBL32;CALU3;ECALU3;25;0;"<a href=https://www.ebi.ac.uk/chembl/assay_report_card/CHEMBL1662928/  target=_blank>CHEMBL1662928</a>";;;;;;;;;-5.28;;;;;;;;;;;;"Brillault J, De Castro WV, Harnois T, Kitzis A, Olivier JC, Couet W.: P-glycoprotein-mediated transport of moxifloxacin in a Calu-3 lung epithelial cell model. Antimicrob Agents Chemother, Volume 53 (4), 2009";ChEMBL
Moxifloxacin;MM00767;COc1c(N2C[C@@H]3CCCN[C@@H]3C2)c(F)cc2c(=O)c(C(=O)O)cn(C3CC3)c12;FABPRXSRWADJSP-MEDUHNTESA-N;401.44;2.37;152946;DB00218;MFX;CHEMBL32;CALU3;ECALU3;25;0;"<a href=https://www.ebi.ac.uk/chembl/assay_report_card/CHEMBL1662929/  target=_blank>CHEMBL1662929</a>";;;;;;;;;-4.98;;;;;;;;;;;;"Brillault J, De Castro WV, Harnois T, Kitzis A, Olivier JC, Couet W.: P-glycoprotein-mediated transport of moxifloxacin in a Calu-3 lung epithelial cell model. Antimicrob Agents Chemother, Volume 53 (4), 2009";ChEMBL
Levofloxacin;MM00762;C[C@H]1COc2c(N3CCN(C)CC3)c(F)cc3c(=O)c(C(=O)O)cn1c23;GSDSWSVVBLHKDQ-JTQLQIEISA-N;361.37;1.54;149096;DB01137;LFX;CHEMBL33;CALU3;ECALU3;25;0;"<a href=https://www.ebi.ac.uk/chembl/assay_report_card/CHEMBL1220654/  target=_blank>CHEMBL1220654</a>";;;;;;;;;-5.62;;;;;;;;;;;;"Brillault J, De Castro WV, Couet W.: Relative contributions of active mediated transport and passive diffusion of fluoroquinolones with various lipophilicities in a Calu-3 lung epithelial cell model. Antimicrob Agents Chemother, Volume 54 (1), 2010";ChEMBL
Levofloxacin;MM00762;C[C@H]1COc2c(N3CCN(C)CC3)c(F)cc3c(=O)c(C(=O)O)cn1c23;GSDSWSVVBLHKDQ-JTQLQIEISA-N;361.37;1.54;149096;DB01137;LFX;CHEMBL33;CALU3;ECALU3;25;0;"<a href=https://www.ebi.ac.uk/chembl/assay_report_card/CHEMBL1220655/  target=_blank>CHEMBL1220655</a>";;;;;;;;;-5.21;;;;;;;;;;;;"Brillault J, De Castro WV, Couet W.: Relative contributions of active mediated transport and passive diffusion of fluoroquinolones with various lipophilicities in a Calu-3 lung epithelial cell model. Antimicrob Agents Chemother, Volume 54 (1), 2010";ChEMBL
Levofloxacin;MM00762;C[C@H]1COc2c(N3CCN(C)CC3)c(F)cc3c(=O)c(C(=O)O)cn1c23;GSDSWSVVBLHKDQ-JTQLQIEISA-N;361.37;1.54;149096;DB01137;LFX;CHEMBL33;CALU3;ECALU3;25;0;"<a href=https://www.ebi.ac.uk/chembl/assay_report_card/CHEMBL1220657/  target=_blank>CHEMBL1220657</a>";;;;;;;;;-5.38;;;;;;;;;;;;"Brillault J, De Castro WV, Couet W.: Relative contributions of active mediated transport and passive diffusion of fluoroquinolones with various lipophilicities in a Calu-3 lung epithelial cell model. Antimicrob Agents Chemother, Volume 54 (1), 2010";ChEMBL
Levofloxacin;MM00762;C[C@H]1COc2c(N3CCN(C)CC3)c(F)cc3c(=O)c(C(=O)O)cn1c23;GSDSWSVVBLHKDQ-JTQLQIEISA-N;361.37;1.54;149096;DB01137;LFX;CHEMBL33;CALU3;ECALU3;25;0;"<a href=https://www.ebi.ac.uk/chembl/assay_report_card/CHEMBL1220658/  target=_blank>CHEMBL1220658</a>";;;;;;;;;-5.37;;;;;;;;;;;;"Brillault J, De Castro WV, Couet W.: Relative contributions of active mediated transport and passive diffusion of fluoroquinolones with various lipophilicities in a Calu-3 lung epithelial cell model. Antimicrob Agents Chemother, Volume 54 (1), 2010";ChEMBL
MM470959;MM470959;Clc1cc(-c2nn[nH]n2)ccc1-c1ccc(-n2ccnc2)cc1;BQLUXQRYHTVVRM-UHFFFAOYSA-N;322.76;3.37;118978782;;;CHEMBL4290485;CALU3;ECALU3;25;0;"<a href=https://www.ebi.ac.uk/chembl/assay_report_card/CHEMBL4260562/  target=_blank>CHEMBL4260562</a>";;;;;;;;;-5.08;;;;;;;;;;;;"Muthukaman N, Deshmukh S, Tondlekar S, Tambe M, Pisal D, Sarode N, Mhatre S, Chakraborti S, Shah D, Bhosale VM, Kulkarni A, Mahat MYA, Jadhav SB, Gudi GS, Khairatkar-Joshi N, Gharat LA.: Discovery of 5-(2-chloro-4'-(1H-imidazol-1-yl)-[1,1'-biphenyl]-4-yl)-1H-tetrazole as potent and orally efficacious S-nitrosoglutathione reductase (GSNOR) inhibitors for the potential treatment of COPD. Bioorg Med Chem Lett, Volume 28 (23-24), 2018";ChEMBL
Grepafloxacin;MM00742;Cc1c(F)c(N2CCNC(C)C2)cc2c1c(=O)c(C(=O)O)cn2C1CC1;AIJTTZAVMXIJGM-UHFFFAOYSA-N;359.4;2.28;72474;DB00365;;CHEMBL583;CALU3;ECALU3;25;0;"<a href=https://www.ebi.ac.uk/chembl/assay_report_card/CHEMBL1220654/  target=_blank>CHEMBL1220654</a>";;;;;;;;;-5.51;;;;;;;;;;;;"Brillault J, De Castro WV, Couet W.: Relative contributions of active mediated transport and passive diffusion of fluoroquinolones with various lipophilicities in a Calu-3 lung epithelial cell model. Antimicrob Agents Chemother, Volume 54 (1), 2010";ChEMBL
Grepafloxacin;MM00742;Cc1c(F)c(N2CCNC(C)C2)cc2c1c(=O)c(C(=O)O)cn2C1CC1;AIJTTZAVMXIJGM-UHFFFAOYSA-N;359.4;2.28;72474;DB00365;;CHEMBL583;CALU3;ECALU3;25;0;"<a href=https://www.ebi.ac.uk/chembl/assay_report_card/CHEMBL1220655/  target=_blank>CHEMBL1220655</a>";;;;;;;;;-4.93;;;;;;;;;;;;"Brillault J, De Castro WV, Couet W.: Relative contributions of active mediated transport and passive diffusion of fluoroquinolones with various lipophilicities in a Calu-3 lung epithelial cell model. Antimicrob Agents Chemother, Volume 54 (1), 2010";ChEMBL
Grepafloxacin;MM00742;Cc1c(F)c(N2CCNC(C)C2)cc2c1c(=O)c(C(=O)O)cn2C1CC1;AIJTTZAVMXIJGM-UHFFFAOYSA-N;359.4;2.28;72474;DB00365;;CHEMBL583;CALU3;ECALU3;25;0;"<a href=https://www.ebi.ac.uk/chembl/assay_report_card/CHEMBL1220657/  target=_blank>CHEMBL1220657</a>";;;;;;;;;-5.14;;;;;;;;;;;;"Brillault J, De Castro WV, Couet W.: Relative contributions of active mediated transport and passive diffusion of fluoroquinolones with various lipophilicities in a Calu-3 lung epithelial cell model. Antimicrob Agents Chemother, Volume 54 (1), 2010";ChEMBL
Grepafloxacin;MM00742;Cc1c(F)c(N2CCNC(C)C2)cc2c1c(=O)c(C(=O)O)cn2C1CC1;AIJTTZAVMXIJGM-UHFFFAOYSA-N;359.4;2.28;72474;DB00365;;CHEMBL583;CALU3;ECALU3;25;0;"<a href=https://www.ebi.ac.uk/chembl/assay_report_card/CHEMBL1220658/  target=_blank>CHEMBL1220658</a>";;;;;;;;;-5.14;;;;;;;;;;;;"Brillault J, De Castro WV, Couet W.: Relative contributions of active mediated transport and passive diffusion of fluoroquinolones with various lipophilicities in a Calu-3 lung epithelial cell model. Antimicrob Agents Chemother, Volume 54 (1), 2010";ChEMBL
Ciprofloxacin;MM00726;O=C(O)c1cn(C2CC2)c2cc(N3CCNCC3)c(F)cc2c1=O;MYSWGUAQZAJSOK-UHFFFAOYSA-N;331.35;1.58;2764;DB00537;CPF;CHEMBL8;CALU3;ECALU3;25;0;"<a href=https://www.ebi.ac.uk/chembl/assay_report_card/CHEMBL1220654/  target=_blank>CHEMBL1220654</a>";;;;;;;;;-6.15;;;;;;;;;;;;"Brillault J, De Castro WV, Couet W.: Relative contributions of active mediated transport and passive diffusion of fluoroquinolones with various lipophilicities in a Calu-3 lung epithelial cell model. Antimicrob Agents Chemother, Volume 54 (1), 2010";ChEMBL
Ciprofloxacin;MM00726;O=C(O)c1cn(C2CC2)c2cc(N3CCNCC3)c(F)cc2c1=O;MYSWGUAQZAJSOK-UHFFFAOYSA-N;331.35;1.58;2764;DB00537;CPF;CHEMBL8;CALU3;ECALU3;25;0;"<a href=https://www.ebi.ac.uk/chembl/assay_report_card/CHEMBL1220655/  target=_blank>CHEMBL1220655</a>";;;;;;;;;-5.57;;;;;;;;;;;;"Brillault J, De Castro WV, Couet W.: Relative contributions of active mediated transport and passive diffusion of fluoroquinolones with various lipophilicities in a Calu-3 lung epithelial cell model. Antimicrob Agents Chemother, Volume 54 (1), 2010";ChEMBL
Ciprofloxacin;MM00726;O=C(O)c1cn(C2CC2)c2cc(N3CCNCC3)c(F)cc2c1=O;MYSWGUAQZAJSOK-UHFFFAOYSA-N;331.35;1.58;2764;DB00537;CPF;CHEMBL8;CALU3;ECALU3;25;0;"<a href=https://www.ebi.ac.uk/chembl/assay_report_card/CHEMBL1220657/  target=_blank>CHEMBL1220657</a>";;;;;;;;;-6.1;;;;;;;;;;;;"Brillault J, De Castro WV, Couet W.: Relative contributions of active mediated transport and passive diffusion of fluoroquinolones with various lipophilicities in a Calu-3 lung epithelial cell model. Antimicrob Agents Chemother, Volume 54 (1), 2010";ChEMBL
Ciprofloxacin;MM00726;O=C(O)c1cn(C2CC2)c2cc(N3CCNCC3)c(F)cc2c1=O;MYSWGUAQZAJSOK-UHFFFAOYSA-N;331.35;1.58;2764;DB00537;CPF;CHEMBL8;CALU3;ECALU3;25;0;"<a href=https://www.ebi.ac.uk/chembl/assay_report_card/CHEMBL1220658/  target=_blank>CHEMBL1220658</a>";;;;;;;;;-6.15;;;;;;;;;;;;"Brillault J, De Castro WV, Couet W.: Relative contributions of active mediated transport and passive diffusion of fluoroquinolones with various lipophilicities in a Calu-3 lung epithelial cell model. Antimicrob Agents Chemother, Volume 54 (1), 2010";ChEMBL
Norfloxacin;MM00768;CCn1cc(C(=O)O)c(=O)c2cc(F)c(N3CCNCC3)cc21;OGJPXUAPXNRGGI-UHFFFAOYSA-N;319.34;1.27;4539;DB01059;;CHEMBL9;CALU3;ECALU3;25;0;"<a href=https://www.ebi.ac.uk/chembl/assay_report_card/CHEMBL1220654/  target=_blank>CHEMBL1220654</a>";;;;;;;;;-6.22;;;;;;;;;;;;"Brillault J, De Castro WV, Couet W.: Relative contributions of active mediated transport and passive diffusion of fluoroquinolones with various lipophilicities in a Calu-3 lung epithelial cell model. Antimicrob Agents Chemother, Volume 54 (1), 2010";ChEMBL
Norfloxacin;MM00768;CCn1cc(C(=O)O)c(=O)c2cc(F)c(N3CCNCC3)cc21;OGJPXUAPXNRGGI-UHFFFAOYSA-N;319.34;1.27;4539;DB01059;;CHEMBL9;CALU3;ECALU3;25;0;"<a href=https://www.ebi.ac.uk/chembl/assay_report_card/CHEMBL1220655/  target=_blank>CHEMBL1220655</a>";;;;;;;;;-5.7;;;;;;;;;;;;"Brillault J, De Castro WV, Couet W.: Relative contributions of active mediated transport and passive diffusion of fluoroquinolones with various lipophilicities in a Calu-3 lung epithelial cell model. Antimicrob Agents Chemother, Volume 54 (1), 2010";ChEMBL
Norfloxacin;MM00768;CCn1cc(C(=O)O)c(=O)c2cc(F)c(N3CCNCC3)cc21;OGJPXUAPXNRGGI-UHFFFAOYSA-N;319.34;1.27;4539;DB01059;;CHEMBL9;CALU3;ECALU3;25;0;"<a href=https://www.ebi.ac.uk/chembl/assay_report_card/CHEMBL1220657/  target=_blank>CHEMBL1220657</a>";;;;;;;;;-6.15;;;;;;;;;;;;"Brillault J, De Castro WV, Couet W.: Relative contributions of active mediated transport and passive diffusion of fluoroquinolones with various lipophilicities in a Calu-3 lung epithelial cell model. Antimicrob Agents Chemother, Volume 54 (1), 2010";ChEMBL
Norfloxacin;MM00768;CCn1cc(C(=O)O)c(=O)c2cc(F)c(N3CCNCC3)cc21;OGJPXUAPXNRGGI-UHFFFAOYSA-N;319.34;1.27;4539;DB01059;;CHEMBL9;CALU3;ECALU3;25;0;"<a href=https://www.ebi.ac.uk/chembl/assay_report_card/CHEMBL1220658/  target=_blank>CHEMBL1220658</a>";;;;;;;;;-6.22;;;;;;;;;;;;"Brillault J, De Castro WV, Couet W.: Relative contributions of active mediated transport and passive diffusion of fluoroquinolones with various lipophilicities in a Calu-3 lung epithelial cell model. Antimicrob Agents Chemother, Volume 54 (1), 2010";ChEMBL
Carbamazepine;MM00341;NC(=O)N1c2ccccc2C=Cc2ccccc21;FFGPTBGBLSHEPO-UHFFFAOYSA-N;236.27;3.39;2554;DB00564;;CHEMBL108;JEJ;EPS;25;0;"<a href=https://www.ebi.ac.uk/chembl/assay_report_card/CHEMBL1112937/  target=_blank>CHEMBL1112937</a>";;;;;;;;;-3.37;;;;;;;;;;;;"Avdeef A, Tam KY.: How well can the Caco-2/Madin-Darby canine kidney models predict effective human jejunal permeability? J Med Chem, Volume 53 (9), 2010";ChEMBL
2-amino-3-hydroxy-N'-[(2,3,4-trihydroxyphenyl)methyl]propanehydrazide;MM00337;NC(CO)C(=O)NNCc1ccc(O)c(O)c1O;BNQDCRGUHNALGH-UHFFFAOYSA-N;257.25;-1.76;2327;DB12783;;CHEMBL1096979;JEJ;EPS;25;0;"<a href=https://www.ebi.ac.uk/chembl/assay_report_card/CHEMBL1112937/  target=_blank>CHEMBL1112937</a>";;;;;;;;;-3.54;;;;;;;;;;;;"Avdeef A, Tam KY.: How well can the Caco-2/Madin-Darby canine kidney models predict effective human jejunal permeability? J Med Chem, Volume 53 (9), 2010";ChEMBL
MM470957;MM470957;O=c1c(O[C@@H]2O[C@H](CO)[C@@H](O)[C@H](O)[C@H]2O)c(-c2ccc(O[C@@H]3O[C@H](CO)[C@@H](O)[C@H](O)[C@H]3O)c(O)c2)oc2cc(O)cc(O)c12;RPVIQWDFJPYNJM-DEFKTLOSSA-N;626.52;-3.07;;;;CHEMBL1098352;JEJ;EPS;25;0;"<a href=https://www.ebi.ac.uk/chembl/assay_report_card/CHEMBL1112937/  target=_blank>CHEMBL1112937</a>";;;;;;;;;-3.05;;;;;;;;;;;;"Avdeef A, Tam KY.: How well can the Caco-2/Madin-Darby canine kidney models predict effective human jejunal permeability? J Med Chem, Volume 53 (9), 2010";ChEMBL
MM470955;MM470955;N=C(N)NCCCNC(=O)[C@@H]1CCCCN1C(=O)[C@@H](CC1CCCCC1)NCC(=O)O;CDPROXZBMHOBTQ-SJORKVTESA-N;438.57;0.37;;;;CHEMBL114715;JEJ;EPS;25;0;"<a href=https://www.ebi.ac.uk/chembl/assay_report_card/CHEMBL1112937/  target=_blank>CHEMBL1112937</a>";;;;;;;;;-5.52;;;;;;;;;;;;"Avdeef A, Tam KY.: How well can the Caco-2/Madin-Darby canine kidney models predict effective human jejunal permeability? J Med Chem, Volume 53 (9), 2010";ChEMBL
Lisinopril;MM00763;NCCCCC(NC(CCc1ccccc1)C(=O)O)C(=O)N1CCCC1C(=O)O;RLAWWYSOJDYHDC-UHFFFAOYSA-N;405.5;1.24;5362119;DB00722;LPR;CHEMBL1237;JEJ;EPS;25;0;"<a href=https://www.ebi.ac.uk/chembl/assay_report_card/CHEMBL1112937/  target=_blank>CHEMBL1112937</a>";;;;;;;;;-4.48;;;;;;;;;;;;"Avdeef A, Tam KY.: How well can the Caco-2/Madin-Darby canine kidney models predict effective human jejunal permeability? J Med Chem, Volume 53 (9), 2010";ChEMBL
Metoprolol;MM00275;COCCc1ccc(OCC(O)CNC(C)C)cc1;IUBSYMUCCVWXPE-UHFFFAOYSA-N;267.37;1.61;4171;DB00264;;CHEMBL13;JEJ;EPS;25;0;"<a href=https://www.ebi.ac.uk/chembl/assay_report_card/CHEMBL3528188/  target=_blank>CHEMBL3528188</a>";;;;;;;;;-3.87;;;;;;;;;;;;"Yang B, Smith DE.: Significance of peptide transporter 1 in the intestinal permeability of valacyclovir in wild-type and PepT1 knockout mice. Drug Metab Dispos, Volume 41 (3), 2013";ChEMBL
Metoprolol;MM00275;COCCc1ccc(OCC(O)CNC(C)C)cc1;IUBSYMUCCVWXPE-UHFFFAOYSA-N;267.37;1.61;4171;DB00264;;CHEMBL13;JEJ;EPS;25;0;"<a href=https://www.ebi.ac.uk/chembl/assay_report_card/CHEMBL3528189/  target=_blank>CHEMBL3528189</a>";;;;;;;;;-4.3;;;;;;;;;;;;"Yang B, Smith DE.: Significance of peptide transporter 1 in the intestinal permeability of valacyclovir in wild-type and PepT1 knockout mice. Drug Metab Dispos, Volume 41 (3), 2013";ChEMBL
MM470952;MM470952;CC(C)[C@H](N)C(=O)OCCOCn1cnc2c(=O)nc(N)[nH]c21;HDOVUKNUBWVHOX-QMMMGPOBSA-N;324.34;-0.8;;;;CHEMBL1349;JEJ;EPS;25;0;"<a href=https://www.ebi.ac.uk/chembl/assay_report_card/CHEMBL1112937/  target=_blank>CHEMBL1112937</a>";;;;;;;;;-3.78;;;;;;;;;;;;"Avdeef A, Tam KY.: How well can the Caco-2/Madin-Darby canine kidney models predict effective human jejunal permeability? J Med Chem, Volume 53 (9), 2010";ChEMBL
Cephalexin;MM00721;CC1=C(C(=O)O)N2C(=O)C(NC(=O)C(N)c3ccccc3)C2SC1;ZAIPMKNFIOOWCQ-UHFFFAOYSA-N;347.4;0.44;27447;DB00567;;CHEMBL1727;JEJ;EPS;25;0;"<a href=https://www.ebi.ac.uk/chembl/assay_report_card/CHEMBL1112937/  target=_blank>CHEMBL1112937</a>";;;;;;;;;-3.81;;;;;;;;;;;;"Avdeef A, Tam KY.: How well can the Caco-2/Madin-Darby canine kidney models predict effective human jejunal permeability? J Med Chem, Volume 53 (9), 2010";ChEMBL
5-[2-(tert-butylamino)-1-hydroxyethyl]benzene-1,3-diol;MM00306;CC(C)(C)NCC(O)c1cc(O)cc(O)c1;XWTYSIMOBUGWOL-UHFFFAOYSA-N;225.29;1.52;5403;DB00871;;CHEMBL1760;JEJ;EPS;25;0;"<a href=https://www.ebi.ac.uk/chembl/assay_report_card/CHEMBL1112937/  target=_blank>CHEMBL1112937</a>";;;;;;;;;-4.52;;;;;;;;;;;;"Avdeef A, Tam KY.: How well can the Caco-2/Madin-Darby canine kidney models predict effective human jejunal permeability? J Med Chem, Volume 53 (9), 2010";ChEMBL
9-hyroxyethoxymethylguanine;MM00074;Nc1nc(=O)c2ncn(COCCO)c2[nH]1;MKUXAQIIEYXACX-UHFFFAOYSA-N;225.21;-1.33;2022;DB00787;AC2;CHEMBL184;JEJ;EPS;25;0;"<a href=https://www.ebi.ac.uk/chembl/assay_report_card/CHEMBL3540053/  target=_blank>CHEMBL3540053</a>";;;;;;;;;-5.4;;;;;;;;;;;;"Yang B, Smith DE.: Significance of peptide transporter 1 in the intestinal permeability of valacyclovir in wild-type and PepT1 knockout mice. Drug Metab Dispos, Volume 41 (3), 2013";ChEMBL
9-hyroxyethoxymethylguanine;MM00074;Nc1nc(=O)c2ncn(COCCO)c2[nH]1;MKUXAQIIEYXACX-UHFFFAOYSA-N;225.21;-1.33;2022;DB00787;AC2;CHEMBL184;JEJ;EPS;25;0;"<a href=https://www.ebi.ac.uk/chembl/assay_report_card/CHEMBL3540054/  target=_blank>CHEMBL3540054</a>";;;;;;;;;-5.13;;;;;;;;;;;;"Yang B, Smith DE.: Significance of peptide transporter 1 in the intestinal permeability of valacyclovir in wild-type and PepT1 knockout mice. Drug Metab Dispos, Volume 41 (3), 2013";ChEMBL
MM470951;MM470951;CC(C)n1c(/C=C/C(O)CC(O)CC(=O)O)c(-c2ccc(F)cc2)c2ccccc21;FJLGEFLZQAZZCD-VAWYXSNFSA-N;411.47;4.63;;;;CHEMBL2220442;JEJ;EPS;25;0;"<a href=https://www.ebi.ac.uk/chembl/assay_report_card/CHEMBL1112937/  target=_blank>CHEMBL1112937</a>";;;;;;;;;-3.62;;;;;;;;;;;;"Avdeef A, Tam KY.: How well can the Caco-2/Madin-Darby canine kidney models predict effective human jejunal permeability? J Med Chem, Volume 53 (9), 2010";ChEMBL
L-Leucine;MM00752;CC(C)CC(N)C(=O)O;ROHFNLRQFUQHCH-YFKPBYRVSA-N;131.18;0.44;6106;DB00149;LEU;CHEMBL291962;JEJ;EPS;25;0;"<a href=https://www.ebi.ac.uk/chembl/assay_report_card/CHEMBL1112937/  target=_blank>CHEMBL1112937</a>";;;;;;;;;-3.21;;;;;;;;;;;;"Avdeef A, Tam KY.: How well can the Caco-2/Madin-Darby canine kidney models predict effective human jejunal permeability? J Med Chem, Volume 53 (9), 2010";ChEMBL
Furosemide;MM00083;NS(=O)(=O)c1cc(C(=O)O)c(NCc2ccco2)cc1Cl;ZZUFCTLCJUWOSV-UHFFFAOYSA-N;330.75;1.89;3440;DB00695;FUN;CHEMBL35;JEJ;EPS;25;0;"<a href=https://www.ebi.ac.uk/chembl/assay_report_card/CHEMBL1112937/  target=_blank>CHEMBL1112937</a>";;;;;;;;;-5.3;;;;;;;;;;;;"Avdeef A, Tam KY.: How well can the Caco-2/Madin-Darby canine kidney models predict effective human jejunal permeability? J Med Chem, Volume 53 (9), 2010";ChEMBL
MM470954;MM470954;CC1=C(/C=C/C(C)=C/C=C/C(C)=C/C(=O)O)C(C)(C)CCC1;SHGAZHPCJJPHSC-YCNIQYBTSA-N;300.44;5.6;;;;CHEMBL38;JEJ;EPS;25;0;"<a href=https://www.ebi.ac.uk/chembl/assay_report_card/CHEMBL1112937/  target=_blank>CHEMBL1112937</a>";;;;;;;;;-4;;;;;;;;;;;;"Avdeef A, Tam KY.: How well can the Caco-2/Madin-Darby canine kidney models predict effective human jejunal permeability? J Med Chem, Volume 53 (9), 2010";ChEMBL
Hydrochlorothiazide;MM00373;NS(=O)(=O)c1cc2c(cc1Cl)NCNS2(=O)=O;JZUFKLXOESDKRF-UHFFFAOYSA-N;297.75;-0.35;3639;DB00999;HCZ;CHEMBL435;JEJ;EPS;25;0;"<a href=https://www.ebi.ac.uk/chembl/assay_report_card/CHEMBL1112937/  target=_blank>CHEMBL1112937</a>";;;;;;;;;-5.4;;;;;;;;;;;;"Avdeef A, Tam KY.: How well can the Caco-2/Madin-Darby canine kidney models predict effective human jejunal permeability? J Med Chem, Volume 53 (9), 2010";ChEMBL
MM470950;MM470950;C[C@](N)(Cc1ccc(O)c(O)c1)C(=O)O;CJCSPKMFHVPWAR-JTQLQIEISA-N;211.22;0.44;;;;CHEMBL459;JEJ;EPS;25;0;"<a href=https://www.ebi.ac.uk/chembl/assay_report_card/CHEMBL1112937/  target=_blank>CHEMBL1112937</a>";;;;;;;;;-5;;;;;;;;;;;;"Avdeef A, Tam KY.: How well can the Caco-2/Madin-Darby canine kidney models predict effective human jejunal permeability? J Med Chem, Volume 53 (9), 2010";ChEMBL
Sulforaphane;MM470956;CS(=O)CCCCN=C=S;SUVMJBTUFCVSAD-UHFFFAOYSA-N;177.29;1.25;5350;;;CHEMBL48802;JEJ;EPS;25;+1,-1;"<a href=https://www.ebi.ac.uk/chembl/assay_report_card/CHEMBL1112937/  target=_blank>CHEMBL1112937</a>";;;;;;;;;-2.73;;;;;;;;;;;;"Avdeef A, Tam KY.: How well can the Caco-2/Madin-Darby canine kidney models predict effective human jejunal permeability? J Med Chem, Volume 53 (9), 2010";ChEMBL
Griseofulvin;MM00369;COC1=CC(=O)CC(C)C12Oc1c(Cl)c(OC)cc(OC)c1C2=O;DDUHZTYCFQRHIY-UHFFFAOYSA-N;352.77;2.81;441140;DB00400;;CHEMBL562;JEJ;EPS;25;0;"<a href=https://www.ebi.ac.uk/chembl/assay_report_card/CHEMBL1112937/  target=_blank>CHEMBL1112937</a>";;;;;;;;;-3.94;;;;;;;;;;;;"Avdeef A, Tam KY.: How well can the Caco-2/Madin-Darby canine kidney models predict effective human jejunal permeability? J Med Chem, Volume 53 (9), 2010";ChEMBL
MM470953;MM470953;CCOC(=O)[C@H](CCc1ccccc1)N[C@@H](C)C(=O)N1CCC[C@H]1C(=O)O;GBXSMTUPTTWBMN-XIRDDKMYSA-N;376.45;1.6;;;;CHEMBL578;JEJ;EPS;25;0;"<a href=https://www.ebi.ac.uk/chembl/assay_report_card/CHEMBL1112937/  target=_blank>CHEMBL1112937</a>";;;;;;;;;-3.8;;;;;;;;;;;;"Avdeef A, Tam KY.: How well can the Caco-2/Madin-Darby canine kidney models predict effective human jejunal permeability? J Med Chem, Volume 53 (9), 2010";ChEMBL
Verapamil;MM00585;COc1ccc(CCN(C)CCCC(C#N)(c2ccc(OC)c(OC)c2)C(C)C)cc1OC;SGTNSNPWRIOYBX-UHFFFAOYSA-N;454.61;5.09;2520;DB00661;;CHEMBL6966;JEJ;EPS;25;0;"<a href=https://www.ebi.ac.uk/chembl/assay_report_card/CHEMBL1112937/  target=_blank>CHEMBL1112937</a>";;;;;;;;;-3.17;;;;;;;;;;;;"Avdeef A, Tam KY.: How well can the Caco-2/Madin-Darby canine kidney models predict effective human jejunal permeability? J Med Chem, Volume 53 (9), 2010";ChEMBL
Fexofenadine;MM00735;CC(C)(C(=O)O)c1ccc(C(O)CCCN2CCC(C(O)(c3ccccc3)c3ccccc3)CC2)cc1;RWTNPBWLLIMQHL-UHFFFAOYSA-N;501.67;5.51;3348;DB00950;;CHEMBL914;JEJ;EPS;25;0;"<a href=https://www.ebi.ac.uk/chembl/assay_report_card/CHEMBL1112937/  target=_blank>CHEMBL1112937</a>";;;;;;;;;-5.22;;;;;;;;;;;;"Avdeef A, Tam KY.: How well can the Caco-2/Madin-Darby canine kidney models predict effective human jejunal permeability? J Med Chem, Volume 53 (9), 2010";ChEMBL
Urea;MM00065;NC(N)=O;XSQUKJJJFZCRTK-UHFFFAOYSA-N;60.06;-0.98;1176;DB03904;URE;CHEMBL985;JEJ;EPS;25;0;"<a href=https://www.ebi.ac.uk/chembl/assay_report_card/CHEMBL1112937/  target=_blank>CHEMBL1112937</a>";;;;;;;;;-3.85;;;;;;;;;;;;"Avdeef A, Tam KY.: How well can the Caco-2/Madin-Darby canine kidney models predict effective human jejunal permeability? J Med Chem, Volume 53 (9), 2010";ChEMBL
MM471296;MM471296;CC(C)[C@H]1CC[C@H](C(=O)N[C@@H](Cc2ccccc2)C(=O)O)CC1;;317.43;3.26;;;;CHEMBL249263;JEJ;ESAC;25;0;"<a href=https://www.ebi.ac.uk/chembl/assay_report_card/CHEMBL3070486/  target=_blank>CHEMBL3070486</a>";;;;;;;;;-3.47;;;;;;;;;;;;"Maddi, S., Yamsani, S.K., Devandla, A. et al. Evidence of stereoselective and segmental-dependant transport of chiral antidiabetic drug nateglinide along the rat small intestine: possible role of efflux transporters. Med Chem Res 22, 2403–2410 (2013). https://doi.org/10.1007/s00044-012-0234-4";ChEMBL
MM471296;MM471296;CC(C)[C@H]1CC[C@H](C(=O)N[C@@H](Cc2ccccc2)C(=O)O)CC1;;317.43;3.26;;;;CHEMBL249263;JEJ;ESAC;25;0;"<a href=https://www.ebi.ac.uk/chembl/assay_report_card/CHEMBL3070488/  target=_blank>CHEMBL3070488</a>";;;;;;;;;-3.66;;;;;;;;;;;;"Maddi, S., Yamsani, S.K., Devandla, A. et al. Evidence of stereoselective and segmental-dependant transport of chiral antidiabetic drug nateglinide along the rat small intestine: possible role of efflux transporters. Med Chem Res 22, 2403–2410 (2013). https://doi.org/10.1007/s00044-012-0234-4";ChEMBL
MM471296;MM471296;CC(C)[C@H]1CC[C@H](C(=O)N[C@@H](Cc2ccccc2)C(=O)O)CC1;;317.43;3.26;;;;CHEMBL249263;JEJ;ESAC;25;0;"<a href=https://www.ebi.ac.uk/chembl/assay_report_card/CHEMBL3070492/  target=_blank>CHEMBL3070492</a>";;;;;;;;;-3.64;;;;;;;;;;;;"Maddi, S., Yamsani, S.K., Devandla, A. et al. Evidence of stereoselective and segmental-dependant transport of chiral antidiabetic drug nateglinide along the rat small intestine: possible role of efflux transporters. Med Chem Res 22, 2403–2410 (2013). https://doi.org/10.1007/s00044-012-0234-4";ChEMBL
MM471296;MM471296;CC(C)[C@H]1CC[C@H](C(=O)N[C@@H](Cc2ccccc2)C(=O)O)CC1;;317.43;3.26;;;;CHEMBL249263;JEJ;ESAC;25;0;"<a href=https://www.ebi.ac.uk/chembl/assay_report_card/CHEMBL3070493/  target=_blank>CHEMBL3070493</a>";;;;;;;;;-3.89;;;;;;;;;;;;"Maddi, S., Yamsani, S.K., Devandla, A. et al. Evidence of stereoselective and segmental-dependant transport of chiral antidiabetic drug nateglinide along the rat small intestine: possible role of efflux transporters. Med Chem Res 22, 2403–2410 (2013). https://doi.org/10.1007/s00044-012-0234-4";ChEMBL
MM471296;MM471296;CC(C)[C@H]1CC[C@H](C(=O)N[C@@H](Cc2ccccc2)C(=O)O)CC1;;317.43;3.26;;;;CHEMBL249263;JEJ;ESAC;25;0;"<a href=https://www.ebi.ac.uk/chembl/assay_report_card/CHEMBL3071413/  target=_blank>CHEMBL3071413</a>";;;;;;;;;-3.82;;;;;;;;;;;;"Maddi, S., Yamsani, S.K., Devandla, A. et al. Evidence of stereoselective and segmental-dependant transport of chiral antidiabetic drug nateglinide along the rat small intestine: possible role of efflux transporters. Med Chem Res 22, 2403–2410 (2013). https://doi.org/10.1007/s00044-012-0234-4";ChEMBL
MM471296;MM471296;CC(C)[C@H]1CC[C@H](C(=O)N[C@@H](Cc2ccccc2)C(=O)O)CC1;;317.43;3.26;;;;CHEMBL249263;JEJ;ESAC;25;0;"<a href=https://www.ebi.ac.uk/chembl/assay_report_card/CHEMBL3071414/  target=_blank>CHEMBL3071414</a>";;;;;;;;;-3.8;;;;;;;;;;;;"Maddi, S., Yamsani, S.K., Devandla, A. et al. Evidence of stereoselective and segmental-dependant transport of chiral antidiabetic drug nateglinide along the rat small intestine: possible role of efflux transporters. Med Chem Res 22, 2403–2410 (2013). https://doi.org/10.1007/s00044-012-0234-4";ChEMBL
MM471296;MM471296;CC(C)[C@H]1CC[C@H](C(=O)N[C@@H](Cc2ccccc2)C(=O)O)CC1;;317.43;3.26;;;;CHEMBL249263;JEJ;ESAC;25;0;"<a href=https://www.ebi.ac.uk/chembl/assay_report_card/CHEMBL3071419/  target=_blank>CHEMBL3071419</a>";;;;;;;;;-3.41;;;;;;;;;;;;"Maddi, S., Yamsani, S.K., Devandla, A. et al. Evidence of stereoselective and segmental-dependant transport of chiral antidiabetic drug nateglinide along the rat small intestine: possible role of efflux transporters. Med Chem Res 22, 2403–2410 (2013). https://doi.org/10.1007/s00044-012-0234-4";ChEMBL
MM471296;MM471296;CC(C)[C@H]1CC[C@H](C(=O)N[C@@H](Cc2ccccc2)C(=O)O)CC1;;317.43;3.26;;;;CHEMBL249263;JEJ;ESAC;25;0;"<a href=https://www.ebi.ac.uk/chembl/assay_report_card/CHEMBL3071420/  target=_blank>CHEMBL3071420</a>";;;;;;;;;-3.74;;;;;;;;;;;;"Maddi, S., Yamsani, S.K., Devandla, A. et al. Evidence of stereoselective and segmental-dependant transport of chiral antidiabetic drug nateglinide along the rat small intestine: possible role of efflux transporters. Med Chem Res 22, 2403–2410 (2013). https://doi.org/10.1007/s00044-012-0234-4";ChEMBL
MM471297;MM471297;CC(C)[C@H]1CC[C@H](C(=O)N[C@H](Cc2ccccc2)C(=O)O)CC1;;317.43;3.26;;;;CHEMBL783;JEJ;ESAC;25;0;"<a href=https://www.ebi.ac.uk/chembl/assay_report_card/CHEMBL3070486/  target=_blank>CHEMBL3070486</a>";;;;;;;;;-3.44;;;;;;;;;;;;"Maddi, S., Yamsani, S.K., Devandla, A. et al. Evidence of stereoselective and segmental-dependant transport of chiral antidiabetic drug nateglinide along the rat small intestine: possible role of efflux transporters. Med Chem Res 22, 2403–2410 (2013). https://doi.org/10.1007/s00044-012-0234-4";ChEMBL
MM471297;MM471297;CC(C)[C@H]1CC[C@H](C(=O)N[C@H](Cc2ccccc2)C(=O)O)CC1;;317.43;3.26;;;;CHEMBL783;JEJ;ESAC;25;0;"<a href=https://www.ebi.ac.uk/chembl/assay_report_card/CHEMBL3070488/  target=_blank>CHEMBL3070488</a>";;;;;;;;;-3.62;;;;;;;;;;;;"Maddi, S., Yamsani, S.K., Devandla, A. et al. Evidence of stereoselective and segmental-dependant transport of chiral antidiabetic drug nateglinide along the rat small intestine: possible role of efflux transporters. Med Chem Res 22, 2403–2410 (2013). https://doi.org/10.1007/s00044-012-0234-4";ChEMBL
MM471297;MM471297;CC(C)[C@H]1CC[C@H](C(=O)N[C@H](Cc2ccccc2)C(=O)O)CC1;;317.43;3.26;;;;CHEMBL783;JEJ;ESAC;25;0;"<a href=https://www.ebi.ac.uk/chembl/assay_report_card/CHEMBL3070492/  target=_blank>CHEMBL3070492</a>";;;;;;;;;-3.66;;;;;;;;;;;;"Maddi, S., Yamsani, S.K., Devandla, A. et al. Evidence of stereoselective and segmental-dependant transport of chiral antidiabetic drug nateglinide along the rat small intestine: possible role of efflux transporters. Med Chem Res 22, 2403–2410 (2013). https://doi.org/10.1007/s00044-012-0234-4";ChEMBL
MM471297;MM471297;CC(C)[C@H]1CC[C@H](C(=O)N[C@H](Cc2ccccc2)C(=O)O)CC1;;317.43;3.26;;;;CHEMBL783;JEJ;ESAC;25;0;"<a href=https://www.ebi.ac.uk/chembl/assay_report_card/CHEMBL3070493/  target=_blank>CHEMBL3070493</a>";;;;;;;;;-3.92;;;;;;;;;;;;"Maddi, S., Yamsani, S.K., Devandla, A. et al. Evidence of stereoselective and segmental-dependant transport of chiral antidiabetic drug nateglinide along the rat small intestine: possible role of efflux transporters. Med Chem Res 22, 2403–2410 (2013). https://doi.org/10.1007/s00044-012-0234-4";ChEMBL
MM471297;MM471297;CC(C)[C@H]1CC[C@H](C(=O)N[C@H](Cc2ccccc2)C(=O)O)CC1;;317.43;3.26;;;;CHEMBL783;JEJ;ESAC;25;0;"<a href=https://www.ebi.ac.uk/chembl/assay_report_card/CHEMBL3071413/  target=_blank>CHEMBL3071413</a>";;;;;;;;;-3.89;;;;;;;;;;;;"Maddi, S., Yamsani, S.K., Devandla, A. et al. Evidence of stereoselective and segmental-dependant transport of chiral antidiabetic drug nateglinide along the rat small intestine: possible role of efflux transporters. Med Chem Res 22, 2403–2410 (2013). https://doi.org/10.1007/s00044-012-0234-4";ChEMBL
MM471297;MM471297;CC(C)[C@H]1CC[C@H](C(=O)N[C@H](Cc2ccccc2)C(=O)O)CC1;;317.43;3.26;;;;CHEMBL783;JEJ;ESAC;25;0;"<a href=https://www.ebi.ac.uk/chembl/assay_report_card/CHEMBL3071414/  target=_blank>CHEMBL3071414</a>";;;;;;;;;-3.89;;;;;;;;;;;;"Maddi, S., Yamsani, S.K., Devandla, A. et al. Evidence of stereoselective and segmental-dependant transport of chiral antidiabetic drug nateglinide along the rat small intestine: possible role of efflux transporters. Med Chem Res 22, 2403–2410 (2013). https://doi.org/10.1007/s00044-012-0234-4";ChEMBL
MM471297;MM471297;CC(C)[C@H]1CC[C@H](C(=O)N[C@H](Cc2ccccc2)C(=O)O)CC1;;317.43;3.26;;;;CHEMBL783;JEJ;ESAC;25;0;"<a href=https://www.ebi.ac.uk/chembl/assay_report_card/CHEMBL3071419/  target=_blank>CHEMBL3071419</a>";;;;;;;;;-3.48;;;;;;;;;;;;"Maddi, S., Yamsani, S.K., Devandla, A. et al. Evidence of stereoselective and segmental-dependant transport of chiral antidiabetic drug nateglinide along the rat small intestine: possible role of efflux transporters. Med Chem Res 22, 2403–2410 (2013). https://doi.org/10.1007/s00044-012-0234-4";ChEMBL
MM471297;MM471297;CC(C)[C@H]1CC[C@H](C(=O)N[C@H](Cc2ccccc2)C(=O)O)CC1;;317.43;3.26;;;;CHEMBL783;JEJ;ESAC;25;0;"<a href=https://www.ebi.ac.uk/chembl/assay_report_card/CHEMBL3071420/  target=_blank>CHEMBL3071420</a>";;;;;;;;;-3.41;;;;;;;;;;;;"Maddi, S., Yamsani, S.K., Devandla, A. et al. Evidence of stereoselective and segmental-dependant transport of chiral antidiabetic drug nateglinide along the rat small intestine: possible role of efflux transporters. Med Chem Res 22, 2403–2410 (2013). https://doi.org/10.1007/s00044-012-0234-4";ChEMBL
MM475435;MM475435;COc1ccc(-n2nc(C(N)=O)c3c2C(=O)N(c2ccc(N4CCCCC4=O)cc2)CC3)cc1;;459.51;2.7;54590406;;;CHEMBL3526474;JEJ;EFDC;25;0;"<a href=https://www.ebi.ac.uk/chembl/assay_report_card/CHEMBL3538287/  target=_blank>CHEMBL3538287</a>";;;;;;;;;-5.14;;;;;;;;;;;;"Zhang D, He K, Herbst JJ, Kolb J, Shou W, Wang L, Balimane PV, Han YH, Gan J, Frost CE, Humphreys WG.: Characterization of efflux transporters involved in distribution and disposition of apixaban. Drug Metab Dispos, Volume 41 (4), 2013";ChEMBL
MM475435;MM475435;COc1ccc(-n2nc(C(N)=O)c3c2C(=O)N(c2ccc(N4CCCCC4=O)cc2)CC3)cc1;;459.51;2.7;54590406;;;CHEMBL3526474;JEJ;EFDC;25;0;"<a href=https://www.ebi.ac.uk/chembl/assay_report_card/CHEMBL3538531/  target=_blank>CHEMBL3538531</a>";;;;;;;;;-4.77;;;;;;;;;;;;"Zhang D, He K, Herbst JJ, Kolb J, Shou W, Wang L, Balimane PV, Han YH, Gan J, Frost CE, Humphreys WG.: Characterization of efflux transporters involved in distribution and disposition of apixaban. Drug Metab Dispos, Volume 41 (4), 2013";ChEMBL
MM476462;MM476462;N[C@H]1CCCC[C@H]1NC(=O)P(=O)(O)O;;222.18;0.14;;;;CHEMBL270083;JEJ;EFDC;25;0;"<a href=https://www.ebi.ac.uk/chembl/assay_report_card/CHEMBL932185/  target=_blank>CHEMBL932185</a>";;;;;;;;;-5.08;;;;;;;;;;;;"Hoffman A, Qadri B, Frant J, Katz Y, Bhusare SR, Breuer E, Hadar R, Reich R.: Carbamoylphosphonate matrix metalloproteinase inhibitors 6: cis-2-aminocyclohexylcarbamoylphosphonic acid, a novel orally active antimetastatic matrix metalloproteinase-2 selective inhibitor--synthesis and pharmacodynamic and pharmacokinetic analysis. J Med Chem, Volume 51 (5), 2008";ChEMBL
MM476462;MM476462;N[C@H]1CCCC[C@H]1NC(=O)P(=O)(O)O;;222.18;0.14;;;;CHEMBL270083;JEJ;EFDC;25;0;"<a href=https://www.ebi.ac.uk/chembl/assay_report_card/CHEMBL949154/  target=_blank>CHEMBL949154</a>";;;;;;;;;-5.1;;;;;;;;;;;;"Hoffman A, Qadri B, Frant J, Katz Y, Bhusare SR, Breuer E, Hadar R, Reich R.: Carbamoylphosphonate matrix metalloproteinase inhibitors 6: cis-2-aminocyclohexylcarbamoylphosphonic acid, a novel orally active antimetastatic matrix metalloproteinase-2 selective inhibitor--synthesis and pharmacodynamic and pharmacokinetic analysis. J Med Chem, Volume 51 (5), 2008";ChEMBL
Ammonia;MM00445;N;QGZKDVFQNNGYKY-UHFFFAOYSA-N;17.03;0.16;222;DB11118;;;SoyPC;EBLM;25;;;;;;;;;;;-1.86;;;;;;;;;;;;"Antonenko YN, Pohl P, Denisov GA.: Permeation of ammonia across bilayer lipid membranes studied by ammonium ion selective microelectrodes. Biophys J, Volume 72 (5), 1997";"Lomize A.L., Pogozheva I.D.: Prediction of passive membrane permeability and translocation pathways of biologically active molecules. Biophys. J., 112(3) Supp1, 525a., 2017."
Histamine;MM00500;NCCc1cnc[nH]1;NTYJJOPFIAHURM-UHFFFAOYSA-N;111.15;-0.09;774;DB05381;HSM;CHEMBL90;EggPC:CHOL;EBLM;24;;"pH = 9.8 - 10.6";;;;;;;;;-4.46;;;;;;;;;;;;"Gutknecht J, Walter A.: Histamine, theophylline and tryptamine transport through lipid bilayer membranes. Biochim Biophys Acta, Volume 649 (2), 1981";"Lomize A.L., Pogozheva I.D.: Prediction of passive membrane permeability and translocation pathways of biologically active molecules. Biophys. J., 112(3) Supp1, 525a., 2017."
Isobutyramide;MM00378;CC(C)C(N)=O;WFKAJVHLWXSISD-UHFFFAOYSA-N;87.12;0.13;68424;;;;EggPC:CHOL;EBLM;24;;"pH = 5.6";;;;;;;;;-3.7;;;;;;;;;;;;"Finkelstein A.: Water and nonelectrolyte permeability of lipid bilayer membranes. J Gen Physiol, Volume 68 (2), 1976";"Lomize A.L., Pogozheva I.D.: Prediction of passive membrane permeability and translocation pathways of biologically active molecules. Biophys. J., 112(3) Supp1, 525a., 2017."
1,6-Hexanediol;MM00009;C[C@@H](O)CC[C@@H](C)O;OHMBHFSEKCCCBW-PHDIDXHHSA-N;118.18;0.53;43078;DB02210;HEZ;CHEMBL458616;EggPC:CHOL;EBLM;24;;"pH = 5.6";;;;;;;;;-3.65;;;;;;;;;;;;"Finkelstein A.: Water and nonelectrolyte permeability of lipid bilayer membranes. J Gen Physiol, Volume 68 (2), 1976";"Lomize A.L., Pogozheva I.D.: Prediction of passive membrane permeability and translocation pathways of biologically active molecules. Biophys. J., 112(3) Supp1, 525a., 2017."
Theophylline;MM00048;Cn1c(=O)c2[nH]cnc2n(C)c1=O;ZFXYFBGIUFBOJW-UHFFFAOYSA-N;180.17;-1.04;2153;DB00277;TEP;CHEMBL190;EggPC:CHOL;EBLM;24;;"pH = 9.8 - 10.6";;;;;;;;;-3.53;;;;;;;;;;;;"Gutknecht J, Walter A.: Histamine, theophylline and tryptamine transport through lipid bilayer membranes. Biochim Biophys Acta, Volume 649 (2), 1981";"Lomize A.L., Pogozheva I.D.: Prediction of passive membrane permeability and translocation pathways of biologically active molecules. Biophys. J., 112(3) Supp1, 525a., 2017."
Butyramide;MM00059;CCCC(N)=O;DNSISZSEWVHGLH-UHFFFAOYSA-N;87.12;0.27;10927;DB02121;BMD;CHEMBL1231396;EggPC:CHOL;EBLM;24;;"pH = 5.6";;;;;;;;;-3.52;;;;;;;;;;;;"Finkelstein A.: Water and nonelectrolyte permeability of lipid bilayer membranes. J Gen Physiol, Volume 68 (2), 1976";"Lomize A.L., Pogozheva I.D.: Prediction of passive membrane permeability and translocation pathways of biologically active molecules. Biophys. J., 112(3) Supp1, 525a., 2017."
Tryptamine;MM00582;NCCc1c[nH]c2ccccc12;APJYDQYYACXCRM-UHFFFAOYSA-N;160.22;1.67;1150;DB08653;TSS;CHEMBL6640;EggPC:CHOL;EBLM;24;;"pH = 9.8 - 10.6";;;;;;;;;-0.76;;;;;;;;;;;;"Gutknecht J, Walter A.: Histamine, theophylline and tryptamine transport through lipid bilayer membranes. Biochim Biophys Acta, Volume 649 (2), 1981";"Lomize A.L., Pogozheva I.D.: Prediction of passive membrane permeability and translocation pathways of biologically active molecules. Biophys. J., 112(3) Supp1, 525a., 2017."
"2-Naphthoic Acid";MM00601;O=C(O)c1ccc2ccccc2c1;UOBYKYZJUGYBDK-UHFFFAOYSA-N;172.18;2.54;7123;;;114648;EggPC;EBLM;25;;;;;;;;;;;1.23;;;;;;;;;;;;"Xiang TX, Anderson BD.: The relationship between permeant size and permeability in lipid bilayer membranes. J Membr Biol, Volume 140 (2), 1994";"Lomize A.L., Pogozheva I.D.: Prediction of passive membrane permeability and translocation pathways of biologically active molecules. Biophys. J., 112(3) Supp1, 525a., 2017."
"9-Anthroic Acid";MM00612;O=C(O)c1c2ccccc2cc2ccccc12;XGWFJBFNAQHLEF-UHFFFAOYSA-N;222.24;3.69;2201;;;;EggPC;EBLM;25;;;;;;;;;;;0.51;;;;;;;;;;;;"Xiang TX, Anderson BD.: The relationship between permeant size and permeability in lipid bilayer membranes. J Membr Biol, Volume 140 (2), 1994";"Lomize A.L., Pogozheva I.D.: Prediction of passive membrane permeability and translocation pathways of biologically active molecules. Biophys. J., 112(3) Supp1, 525a., 2017."
"Hydrochloric Acid";MM00654;Cl;VEXZGXHMUGYJMC-UHFFFAOYSA-N;36.46;0.42;313;;;;EggPC;EBLM;25;;;;;;;;;;;0.46;;;;;;;;;;;;https://doi.org/10.1007/BF01870145;"Lomize A.L., Pogozheva I.D.: Prediction of passive membrane permeability and translocation pathways of biologically active molecules. Biophys. J., 112(3) Supp1, 525a., 2017."
"Thiocyanic Acid";MM00692;N#CS;ZMZDMBWJUHKJPS-UHFFFAOYSA-N;59.09;0.4;781;;;;EggPC;EBLM;25;;;;;;;;;;;0.41;;;;;;;;;;;;https://doi.org/10.1007/BF01870135;"Lomize A.L., Pogozheva I.D.: Prediction of passive membrane permeability and translocation pathways of biologically active molecules. Biophys. J., 112(3) Supp1, 525a., 2017."
"1-Naphthoic Acid";MM00592;O=C(O)c1cccc2ccccc12;LNETULKMXZVUST-UHFFFAOYSA-N;172.18;2.54;6847;;;;EggPC;EBLM;25;;;;;;;;;;;0.36;;;;;;;;;;;;"Xiang TX, Anderson BD.: The relationship between permeant size and permeability in lipid bilayer membranes. J Membr Biol, Volume 140 (2), 1994";"Lomize A.L., Pogozheva I.D.: Prediction of passive membrane permeability and translocation pathways of biologically active molecules. Biophys. J., 112(3) Supp1, 525a., 2017."
"Caproic Acid";MM00636;CCCCCC(=O)O;FUZZWVXGSFPDMH-UHFFFAOYSA-N;116.16;1.65;8892;;;;EggPC;EBLM;25;;;;;;;;;;;0.04;;;;;;;;;;;;https://doi.org/10.1007/BF01870137;"Lomize A.L., Pogozheva I.D.: Prediction of passive membrane permeability and translocation pathways of biologically active molecules. Biophys. J., 112(3) Supp1, 525a., 2017."
"4-Methylbenzoic Acid";MM00610;Cc1ccc(C(=O)O)cc1;LPNBBFKOUUSUDB-UHFFFAOYSA-N;136.15;1.69;7470;;;;EggPC;EBLM;25;;;;;;;;;;;0.04;;;;;;;;;;;;"Xiang TX, Anderson BD.: The relationship between permeant size and permeability in lipid bilayer membranes. J Membr Biol, Volume 140 (2), 1994";"Lomize A.L., Pogozheva I.D.: Prediction of passive membrane permeability and translocation pathways of biologically active molecules. Biophys. J., 112(3) Supp1, 525a., 2017."
2-Deoxyadenosine;MM00320;Nc1ncnc2c1ncn2[C@H]1C[C@H](O)[C@@H](CO)O1;OLXZPDWKRNYJJZ-RRKCRQDMSA-N;251.25;-0.95;13730;;;;EggPC;EBLM;25;;;;;;;;;;;-6.03;;;;;;;;;;;;"Xiang TX, Anderson BD.: The relationship between permeant size and permeability in lipid bilayer membranes. J Membr Biol, Volume 140 (2), 1994";"Lomize A.L., Pogozheva I.D.: Prediction of passive membrane permeability and translocation pathways of biologically active molecules. Biophys. J., 112(3) Supp1, 525a., 2017."
Urea;MM00065;NC(N)=O;XSQUKJJJFZCRTK-UHFFFAOYSA-N;60.06;-0.98;1176;DB03904;URE;CHEMBL985;EggPC;EBLM;25;;;;;;;;;;;-5.4;;;;;;;;;;;;https://doi.org/10.1007/BF01870136;"Lomize A.L., Pogozheva I.D.: Prediction of passive membrane permeability and translocation pathways of biologically active molecules. Biophys. J., 112(3) Supp1, 525a., 2017."
Glycerol;MM00067;OCC(O)CO;PEDCQBHIVMGVHV-UHFFFAOYSA-N;92.09;-1.67;753;DB09462;GOL;CHEMBL692;EggPC;EBLM;25;;;;;;;;;;;-5.27;;;;;;;;;;;;https://doi.org/10.1007/BF01870130;"Lomize A.L., Pogozheva I.D.: Prediction of passive membrane permeability and translocation pathways of biologically active molecules. Biophys. J., 112(3) Supp1, 525a., 2017."
Adenine;MM00324;Nc1ncnc2nc[nH]c12;GFFGJBXGBJISGV-UHFFFAOYSA-N;135.13;-0.06;190;DB00173;ADE;CHEMBL226345;EggPC;EBLM;25;;;;;;;;;;;-4.86;;;;;;;;;;;;"Xiang TX, Anderson BD.: The relationship between permeant size and permeability in lipid bilayer membranes. J Membr Biol, Volume 140 (2), 1994";"Lomize A.L., Pogozheva I.D.: Prediction of passive membrane permeability and translocation pathways of biologically active molecules. Biophys. J., 112(3) Supp1, 525a., 2017."
"Alpha-Carbamoyl-p-Toluic Acid";MM01303;NC(=O)Cc1ccc(C(=O)O)cc1;YMKXCDDRWMQOBA-UHFFFAOYSA-N;179.18;0.41;23273690;;;;EggPC;EBLM;25;;;;;;;;;;;-4.39;;;;;;;;;;;;"Xiang TX, Anderson BD.: The relationship between permeant size and permeability in lipid bilayer membranes. J Membr Biol, Volume 140 (2), 1994";"Lomize A.L., Pogozheva I.D.: Prediction of passive membrane permeability and translocation pathways of biologically active molecules. Biophys. J., 112(3) Supp1, 525a., 2017."
2,3-Dideoxyadenosine;MM00318;Nc1ncnc2c1ncn2[C@H]1CC[C@@H](CO)O1;WVXRAFOPTSTNLL-NKWVEPMBSA-N;235.25;0.08;20039;;;;EggPC;EBLM;25;;;;;;;;;;;-4.2;;;;;;;;;;;;https://doi.org/10.1007/BF01870128;"Lomize A.L., Pogozheva I.D.: Prediction of passive membrane permeability and translocation pathways of biologically active molecules. Biophys. J., 112(3) Supp1, 525a., 2017."
"Ethylene glycol";MM00360;OCCO;LYCAIKOWRPUZTN-UHFFFAOYSA-N;62.07;-1.03;174;;;;EggPC;EBLM;25;;;;;;;;;;;-4.06;;;;;;;;;;;;https://doi.org/10.1007/BF01870146;"Lomize A.L., Pogozheva I.D.: Prediction of passive membrane permeability and translocation pathways of biologically active molecules. Biophys. J., 112(3) Supp1, 525a., 2017."
"2-Hydroxybutyric Acid";MM00597;CC[C@H](O)C(=O)O;AFENDNXGAFYKQO-VKHMYHEASA-N;104.11;-0.16;11266;;;;EggPC;EBLM;25;;;;;;;;;;;-3.91;;;;;;;;;;;;"Wolosin JM, Ginsburg H.: The permeation of organic acids through lecithin bilayers. Resemblance to diffusion in polymers. Biochim Biophys Acta, Volume 389 (1), 1975";"Lomize A.L., Pogozheva I.D.: Prediction of passive membrane permeability and translocation pathways of biologically active molecules. Biophys. J., 112(3) Supp1, 525a., 2017."
Prednisolone;MM00297;CC12C=CC(=O)C=C1CCC1C2C(O)CC2(C)C1CCC2(O)C(=O)CO;OIGNJSKKLXVSLS-UHFFFAOYSA-N;360.45;1.56;5755;DB00860;;CHEMBL131;EggPC;EBLM;25;;;;;;;;;;;-3.82;;;;;;;;;;;;"Xiang TX, Anderson BD.: The relationship between permeant size and permeability in lipid bilayer membranes. J Membr Biol, Volume 140 (2), 1994";"Lomize A.L., Pogozheva I.D.: Prediction of passive membrane permeability and translocation pathways of biologically active molecules. Biophys. J., 112(3) Supp1, 525a., 2017."
"Alpha-Carboxy-p-Toluic Acid";MM00618;O=C(O)Cc1ccc(C(=O)O)cc1;DMEDOWYXHVUPMO-UHFFFAOYSA-N;180.16;1.01;220005;;;;EggPC;EBLM;25;;;;;;;;;;;-3.74;;;;;;;;;;;;"Xiang TX, Anderson BD.: The relationship between permeant size and permeability in lipid bilayer membranes. J Membr Biol, Volume 140 (2), 1994";"Lomize A.L., Pogozheva I.D.: Prediction of passive membrane permeability and translocation pathways of biologically active molecules. Biophys. J., 112(3) Supp1, 525a., 2017."
"2-Hydroxycaproic Acid";MM00598;CCCC[C@H](O)C(=O)O;NYHNVHGFPZAZGA-YFKPBYRVSA-N;132.16;0.62;99824;;;;EggPC;EBLM;25;;;;;;;;;;;-3.67;;;;;;;;;;;;"Wolosin JM, Ginsburg H.: The permeation of organic acids through lecithin bilayers. Resemblance to diffusion in polymers. Biochim Biophys Acta, Volume 389 (1), 1975";"Lomize A.L., Pogozheva I.D.: Prediction of passive membrane permeability and translocation pathways of biologically active molecules. Biophys. J., 112(3) Supp1, 525a., 2017."
"Pivalic Acid";MM00683;CC(C)(C)C(=O)O;IUGYQRQAERSCNH-UHFFFAOYSA-N;102.13;1.12;6417;;;;EggPC;EBLM;25;;;;;;;;;;;-3.62;;;;;;;;;;;;"Wolosin JM, Ginsburg H.: The permeation of organic acids through lecithin bilayers. Resemblance to diffusion in polymers. Biochim Biophys Acta, Volume 389 (1), 1975";"Lomize A.L., Pogozheva I.D.: Prediction of passive membrane permeability and translocation pathways of biologically active molecules. Biophys. J., 112(3) Supp1, 525a., 2017."
"Vanillic Acid";MM00712;COc1cc(C(=O)O)ccc1O;WKOLLVMJNQIZCI-UHFFFAOYSA-N;168.15;1.1;8468;DB02130;VNL;CHEMBL120568;EggPC;EBLM;25;;;;;;;;;;;-3.58;;;;;;;;;;;;"Wolosin JM, Ginsburg H.: The permeation of organic acids through lecithin bilayers. Resemblance to diffusion in polymers. Biochim Biophys Acta, Volume 389 (1), 1975";"Lomize A.L., Pogozheva I.D.: Prediction of passive membrane permeability and translocation pathways of biologically active molecules. Biophys. J., 112(3) Supp1, 525a., 2017."
1,4-Butanediol;MM00314;OCCCCO;WERYXYBDKMZEQL-UHFFFAOYSA-N;90.12;-0.25;8064;DB01955;BU1;CHEMBL171623;EggPC;EBLM;25;;;;;;;;;;;-3.57;;;;;;;;;;;;https://doi.org/10.1007/BF01870127;"Lomize A.L., Pogozheva I.D.: Prediction of passive membrane permeability and translocation pathways of biologically active molecules. Biophys. J., 112(3) Supp1, 525a., 2017."
"Propylene Glycol";MM00414;CC(O)CO;DNIAPMSPPWPWGF-UHFFFAOYSA-N;76.1;-0.64;1030;DB01839;;CHEMBL286398;EggPC;EBLM;25;;;;;;;;;;;-3.55;;;;;;;;;;;;https://doi.org/10.1007/BF01870133;"Lomize A.L., Pogozheva I.D.: Prediction of passive membrane permeability and translocation pathways of biologically active molecules. Biophys. J., 112(3) Supp1, 525a., 2017."
Acetamide;MM00321;CC(N)=O;DLFVBJFMPXGRIB-UHFFFAOYSA-N;59.07;-0.51;178;DB02736;ACM;CHEMBL16081;EggPC;EBLM;25;;;;;;;;;;;-3.54;;;;;;;;;;;;"Xiang TX, Anderson BD.: The relationship between permeant size and permeability in lipid bilayer membranes. J Membr Biol, Volume 140 (2), 1994";"Lomize A.L., Pogozheva I.D.: Prediction of passive membrane permeability and translocation pathways of biologically active molecules. Biophys. J., 112(3) Supp1, 525a., 2017."
"2-Hydroxyvaleric Acid";MM00600;CCC[C@H](O)C(=O)O;JRHWHSJDIILJAT-BYPYZUCNSA-N;118.13;0.23;98009;;;;EggPC;EBLM;25;;;;;;;;;;;-3.53;;;;;;;;;;;;"Wolosin JM, Ginsburg H.: The permeation of organic acids through lecithin bilayers. Resemblance to diffusion in polymers. Biochim Biophys Acta, Volume 389 (1), 1975";"Lomize A.L., Pogozheva I.D.: Prediction of passive membrane permeability and translocation pathways of biologically active molecules. Biophys. J., 112(3) Supp1, 525a., 2017."
"Hydrofluoric Acid";MM00655;F;KRHYYFGTRYWZRS-UHFFFAOYSA-N;20.01;0.15;14917;DB11072;;CHEMBL1232767;EggPC;EBLM;25;;;;;;;;;;;-3.51;;;;;;;;;;;;https://doi.org/10.1007/BF01870144;"Lomize A.L., Pogozheva I.D.: Prediction of passive membrane permeability and translocation pathways of biologically active molecules. Biophys. J., 112(3) Supp1, 525a., 2017."
"2,4-Dihydroxybenzoic Acid";MM00595;O=C(O)c1ccc(O)cc1O;UIAFKZKHHVMJGS-UHFFFAOYSA-N;154.12;0.8;1491;DB02839;DOB;CHEMBL328910;EggPC;EBLM;25;;;;;;;;;;;-3.33;;;;;;;;;;;;"Wolosin JM, Ginsburg H.: The permeation of organic acids through lecithin bilayers. Resemblance to diffusion in polymers. Biochim Biophys Acta, Volume 389 (1), 1975";"Lomize A.L., Pogozheva I.D.: Prediction of passive membrane permeability and translocation pathways of biologically active molecules. Biophys. J., 112(3) Supp1, 525a., 2017."
Hydrocortisone;MM00044;CC12CCC(=O)C=C1CCC1C2C(O)CC2(C)C1CCC2(O)C(=O)CO;JYGXADMDTFJGBT-UHFFFAOYSA-N;362.47;1.78;5754;DB00741;HCY;CHEMBL389621;EggPC;EBLM;25;;;;;;;;;;;-3.25;;;;;;;;;;;;"Xiang TX, Anderson BD.: The relationship between permeant size and permeability in lipid bilayer membranes. J Membr Biol, Volume 140 (2), 1994";"Lomize A.L., Pogozheva I.D.: Prediction of passive membrane permeability and translocation pathways of biologically active molecules. Biophys. J., 112(3) Supp1, 525a., 2017."
"Phenylacetic Acid";MM00679;O=C(O)Cc1ccccc1;WLJVXDMOQOGPHL-UHFFFAOYSA-N;136.15;1.31;999;DB09269;PAC;CHEMBL1044;EggPC;EBLM;25;;;;;;;;;;;-3.09;;;;;;;;;;;;"Wolosin JM, Ginsburg H.: The permeation of organic acids through lecithin bilayers. Resemblance to diffusion in polymers. Biochim Biophys Acta, Volume 389 (1), 1975";"Lomize A.L., Pogozheva I.D.: Prediction of passive membrane permeability and translocation pathways of biologically active molecules. Biophys. J., 112(3) Supp1, 525a., 2017."
"4-Hydroxybenzoic Acid";MM00609;O=C(O)c1ccc(O)cc1;FJKROLUGYXJWQN-UHFFFAOYSA-N;138.12;1.09;135;DB04242;PHB;CHEMBL441343;EggPC;EBLM;25;;;;;;;;;;;-3.08;;;;;;;;;;;;"Wolosin JM, Ginsburg H.: The permeation of organic acids through lecithin bilayers. Resemblance to diffusion in polymers. Biochim Biophys Acta, Volume 389 (1), 1975";"Lomize A.L., Pogozheva I.D.: Prediction of passive membrane permeability and translocation pathways of biologically active molecules. Biophys. J., 112(3) Supp1, 525a., 2017."
"Nitric Acid";MM00675;O=[N+]([O-])O;GRYLNZFGIOXLOG-UHFFFAOYSA-N;63.01;-0.35;944;;;;EggPC;EBLM;25;;;;;;;;;;;-3.04;;;;;;;;;;;;https://doi.org/10.1007/BF01870143;"Lomize A.L., Pogozheva I.D.: Prediction of passive membrane permeability and translocation pathways of biologically active molecules. Biophys. J., 112(3) Supp1, 525a., 2017."
"Isobutyric Acid";MM00658;CC(C)C(=O)O;KQNPFQTWMSNSAP-UHFFFAOYSA-N;88.11;0.73;6590;DB02531;ALQ;CHEMBL108778;EggPC;EBLM;25;;;;;;;;;;;-3.03;;;;;;;;;;;;"Wolosin JM, Ginsburg H.: The permeation of organic acids through lecithin bilayers. Resemblance to diffusion in polymers. Biochim Biophys Acta, Volume 389 (1), 1975";"Lomize A.L., Pogozheva I.D.: Prediction of passive membrane permeability and translocation pathways of biologically active molecules. Biophys. J., 112(3) Supp1, 525a., 2017."
"Iodoacetic Acid";MM00657;O=C(O)CI;JDNTWHVOXJZDSN-UHFFFAOYSA-N;185.95;0.51;5240;;;;EggPC;EBLM;25;;;;;;;;;;;-2.96;;;;;;;;;;;;"Wolosin JM, Ginsburg H.: The permeation of organic acids through lecithin bilayers. Resemblance to diffusion in polymers. Biochim Biophys Acta, Volume 389 (1), 1975";"Lomize A.L., Pogozheva I.D.: Prediction of passive membrane permeability and translocation pathways of biologically active molecules. Biophys. J., 112(3) Supp1, 525a., 2017."
"Chloroacetic Acid";MM00032;O=C(O)CCl;FOCAUTSVDIKZOP-UHFFFAOYSA-N;94.5;0.31;300;;;;EggPC;EBLM;25;;;;;;;;;;;-2.94;;;;;;;;;;;;"Wolosin JM, Ginsburg H.: The permeation of organic acids through lecithin bilayers. Resemblance to diffusion in polymers. Biochim Biophys Acta, Volume 389 (1), 1975";"Lomize A.L., Pogozheva I.D.: Prediction of passive membrane permeability and translocation pathways of biologically active molecules. Biophys. J., 112(3) Supp1, 525a., 2017."
"Bromoacetic Acid";MM00633;O=C(O)CBr;KDPAWGWELVVRCH-UHFFFAOYSA-N;138.95;0.47;6227;DB02198;BXA;CHEMBL60851;EggPC;EBLM;25;;;;;;;;;;;-2.91;;;;;;;;;;;;"Wolosin JM, Ginsburg H.: The permeation of organic acids through lecithin bilayers. Resemblance to diffusion in polymers. Biochim Biophys Acta, Volume 389 (1), 1975";"Lomize A.L., Pogozheva I.D.: Prediction of passive membrane permeability and translocation pathways of biologically active molecules. Biophys. J., 112(3) Supp1, 525a., 2017."
"Isovaleric Acid";MM00659;CC(C)CC(=O)O;GWYFCOCPABKNJV-UHFFFAOYSA-N;102.13;1.12;10430;DB03750;IVA;CHEMBL568737;EggPC;EBLM;25;;;;;;;;;;;-2.88;;;;;;;;;;;;"Wolosin JM, Ginsburg H.: The permeation of organic acids through lecithin bilayers. Resemblance to diffusion in polymers. Biochim Biophys Acta, Volume 389 (1), 1975";"Lomize A.L., Pogozheva I.D.: Prediction of passive membrane permeability and translocation pathways of biologically active molecules. Biophys. J., 112(3) Supp1, 525a., 2017."
"Tiglic Acid";MM00694;"C/C=C(\C)C(=O)O";UIERETOOQGIECD-ONEGZZNKSA-N;100.12;1.04;125468;;;;EggPC;EBLM;25;;;;;;;;;;;-2.87;;;;;;;;;;;;"Wolosin JM, Ginsburg H.: The permeation of organic acids through lecithin bilayers. Resemblance to diffusion in polymers. Biochim Biophys Acta, Volume 389 (1), 1975";"Lomize A.L., Pogozheva I.D.: Prediction of passive membrane permeability and translocation pathways of biologically active molecules. Biophys. J., 112(3) Supp1, 525a., 2017."
"Alpha-Hydroxy-p-Toluic Acid";MM00624;O=C(O)c1ccc(CO)cc1;WWYFPDXEIFBNKE-UHFFFAOYSA-N;152.15;0.88;76360;;;;EggPC;EBLM;25;;;;;;;;;;;-2.8;;;;;;;;;;;;"Xiang TX, Anderson BD.: The relationship between permeant size and permeability in lipid bilayer membranes. J Membr Biol, Volume 140 (2), 1994";"Lomize A.L., Pogozheva I.D.: Prediction of passive membrane permeability and translocation pathways of biologically active molecules. Biophys. J., 112(3) Supp1, 525a., 2017."
Water;MM00431;O;XLYOFNOQVPJJNP-UHFFFAOYSA-N;18.02;-0.82;962;DB09145;HOH;CHEMBL1098659;EggPC;EBLM;25;;;;;;;;;;;-2.72;;;;;;;;;;;;"Xiang TX, Anderson BD.: The relationship between permeant size and permeability in lipid bilayer membranes. J Membr Biol, Volume 140 (2), 1994";"Lomize A.L., Pogozheva I.D.: Prediction of passive membrane permeability and translocation pathways of biologically active molecules. Biophys. J., 112(3) Supp1, 525a., 2017."
"Formic Acid";MM00649;O=CO;BDAGIHXWWSANSR-UHFFFAOYSA-N;46.03;-0.3;284;DB01942;FMT;CHEMBL116736;EggPC;EBLM;25;;;;;;;;;;;-2.54;;;;;;;;;;;;"Xiang TX, Anderson BD.: The relationship between permeant size and permeability in lipid bilayer membranes. J Membr Biol, Volume 140 (2), 1994";"Lomize A.L., Pogozheva I.D.: Prediction of passive membrane permeability and translocation pathways of biologically active molecules. Biophys. J., 112(3) Supp1, 525a., 2017."
Water;MM00431;O;XLYOFNOQVPJJNP-UHFFFAOYSA-N;18.02;-0.82;962;DB09145;HOH;CHEMBL1098659;EggPC;EBLM;25;;;;;;;;;;;-2.47;;;;;;;;;;;;https://doi.org/10.1007/BF01870138;"Lomize A.L., Pogozheva I.D.: Prediction of passive membrane permeability and translocation pathways of biologically active molecules. Biophys. J., 112(3) Supp1, 525a., 2017."
"Acetic Acid";MM00613;CC(=O)O;QTBSBXVTEAMEQO-UHFFFAOYSA-N;60.05;0.09;176;DB03166;ACY;CHEMBL539;EggPC;EBLM;25;;;;;;;;;;;-2.3;;;;;;;;;;;;"Xiang TX, Anderson BD.: The relationship between permeant size and permeability in lipid bilayer membranes. J Membr Biol, Volume 140 (2), 1994";"Lomize A.L., Pogozheva I.D.: Prediction of passive membrane permeability and translocation pathways of biologically active molecules. Biophys. J., 112(3) Supp1, 525a., 2017."
"Alpha-Cyano-p-Toluic Acid";MM00622;N#CCc1ccc(C(=O)O)cc1;RSGBXCFAYHOKQZ-UHFFFAOYSA-N;161.16;1.45;270871;;;;EggPC;EBLM;25;;;;;;;;;;;-1.57;;;;;;;;;;;;"Xiang TX, Anderson BD.: The relationship between permeant size and permeability in lipid bilayer membranes. J Membr Biol, Volume 140 (2), 1994";"Lomize A.L., Pogozheva I.D.: Prediction of passive membrane permeability and translocation pathways of biologically active molecules. Biophys. J., 112(3) Supp1, 525a., 2017."
"Propionic Acid";MM00685;CCC(=O)O;XBDQKXXYIPTUBI-UHFFFAOYSA-N;74.08;0.48;1032;DB03766;PPI;CHEMBL14021;EggPC;EBLM;25;;;;;;;;;;;-1.46;;;;;;;;;;;;https://doi.org/10.1007/BF01870132;"Lomize A.L., Pogozheva I.D.: Prediction of passive membrane permeability and translocation pathways of biologically active molecules. Biophys. J., 112(3) Supp1, 525a., 2017."
"Butyric Acid";MM00634;CCCC(=O)O;FERIUCNNQQJTOY-UHFFFAOYSA-N;88.11;0.87;264;DB03568;BUA;CHEMBL14227;EggPC;EBLM;25;;;;;;;;;;;-1.02;;;;;;;;;;;;https://doi.org/10.1007/BF01870140;"Lomize A.L., Pogozheva I.D.: Prediction of passive membrane permeability and translocation pathways of biologically active molecules. Biophys. J., 112(3) Supp1, 525a., 2017."
Ethanamine;MM00491;CCN;QUSNBJAOOMFDIB-UHFFFAOYSA-N;45.09;-0.04;6341;;;;EggPC;EBLM;25;;;;;;;;;;;-0.92;;;;;;;;;;;;https://doi.org/10.1007/BF01870142;"Lomize A.L., Pogozheva I.D.: Prediction of passive membrane permeability and translocation pathways of biologically active molecules. Biophys. J., 112(3) Supp1, 525a., 2017."
Ammonia;MM00445;N;QGZKDVFQNNGYKY-UHFFFAOYSA-N;17.03;0.16;222;DB11118;;;EggPC;EBLM;25;;;;;;;;;;;-0.89;;;;;;;;;;;;https://doi.org/10.1007/BF01870139;"Lomize A.L., Pogozheva I.D.: Prediction of passive membrane permeability and translocation pathways of biologically active molecules. Biophys. J., 112(3) Supp1, 525a., 2017."
Codeine;MM00470;COc1ccc2c3c1O[C@H]1[C@@H](O)C=C[C@H]4[C@@H](C2)N(C)CC[C@]314;OROGSEYTTFOCAN-DNJOTXNNSA-N;299.37;1.5;5284371;DB00318;;CHEMBL485;EggPC;EBLM;25;;;;;;;;;;;-0.85;;;;;;;;;;;;https://doi.org/10.1007/BF01870141;"Lomize A.L., Pogozheva I.D.: Prediction of passive membrane permeability and translocation pathways of biologically active molecules. Biophys. J., 112(3) Supp1, 525a., 2017."
"Acetylsalicylic Acid";MM00080;CC(=O)Oc1ccccc1C(=O)O;BSYNRYMUTXBXSQ-UHFFFAOYSA-N;180.16;1.31;2244;DB00945;AIN;CHEMBL25;EggPC;EBLM;25;;;;;;;;;;;-0.82;;;;;;;;;;;;"Wolosin JM, Ginsburg H.: The permeation of organic acids through lecithin bilayers. Resemblance to diffusion in polymers. Biochim Biophys Acta, Volume 389 (1), 1975";"Lomize A.L., Pogozheva I.D.: Prediction of passive membrane permeability and translocation pathways of biologically active molecules. Biophys. J., 112(3) Supp1, 525a., 2017."
"Alpha-Methoxy-p-Toluic Acid";MM00626;COCc1ccc(C(=O)O)cc1;OORFINRYBCDBEN-UHFFFAOYSA-N;166.18;1.53;308473;;;;EggPC;EBLM;25;;;;;;;;;;;-0.46;;;;;;;;;;;;"Xiang TX, Anderson BD.: The relationship between permeant size and permeability in lipid bilayer membranes. J Membr Biol, Volume 140 (2), 1994";"Lomize A.L., Pogozheva I.D.: Prediction of passive membrane permeability and translocation pathways of biologically active molecules. Biophys. J., 112(3) Supp1, 525a., 2017."
"Benzoic Acid";MM00630;O=C(O)c1ccccc1;WPYMKLBDIGXBTP-UHFFFAOYSA-N;122.12;1.38;243;DB03793;BEZ;CHEMBL541;EggPC;EBLM;25;;;;;;;;;;;-0.24;;;;;;;;;;;;"Xiang TX, Anderson BD.: The relationship between permeant size and permeability in lipid bilayer membranes. J Membr Biol, Volume 140 (2), 1994";"Lomize A.L., Pogozheva I.D.: Prediction of passive membrane permeability and translocation pathways of biologically active molecules. Biophys. J., 112(3) Supp1, 525a., 2017."
"Alpha-Chloro-p-Toluic Acid";MM00620;O=C(O)c1ccc(CCl)cc1;OITNBJHJJGMFBN-UHFFFAOYSA-N;170.6;2.12;74234;;;;EggPC;EBLM;25;;;;;;;;;;;-0.19;;;;;;;;;;;;"Xiang TX, Anderson BD.: The relationship between permeant size and permeability in lipid bilayer membranes. J Membr Biol, Volume 140 (2), 1994";"Lomize A.L., Pogozheva I.D.: Prediction of passive membrane permeability and translocation pathways of biologically active molecules. Biophys. J., 112(3) Supp1, 525a., 2017."
"Salicylic Acid";MM00093;O=C(O)c1ccccc1O;YGSDEFSMJLZEOE-UHFFFAOYSA-N;138.12;1.09;338;DB00936;SAL;CHEMBL424;EggPC;EBLM;25;;;;;;;;;;;-0.11;;;;;;;;;;;;https://doi.org/10.1007/BF01870134;"Lomize A.L., Pogozheva I.D.: Prediction of passive membrane permeability and translocation pathways of biologically active molecules. Biophys. J., 112(3) Supp1, 525a., 2017."
Formamide;MM00365;NC=O;ZHNUHDYFZUAESO-UHFFFAOYSA-N;45.04;-0.9;713;;;;EggPC;EBLM;25;;;;;;;;;;;-4;;;;;;;;;;;;https://doi.org/10.1007/BF01870129;"Lomize A.L., Pogozheva I.D.: Prediction of passive membrane permeability and translocation pathways of biologically active molecules. Biophys. J., 112(3) Supp1, 525a., 2017."
"12-Hydroxydodecanoic Acid";MM00593;O=C(O)CCCCCCCCCCCO;ZDHCZVWCTKTBRY-UHFFFAOYSA-N;216.32;2.96;79034;DB03704;12H;CHEMBL55068;DPhPC;EBLM;37;;"pH = 7.2";;;;;;;;;-4.7;;;;;;;;;;;;"Pohl EE, Voltchenko AM, Rupprecht A.: Flip-flop of hydroxy fatty acids across the membrane as monitored by proton-sensitive microelectrodes. Biochim Biophys Acta, Volume 1778 (5), 2008";"Lomize A.L., Pogozheva I.D.: Prediction of passive membrane permeability and translocation pathways of biologically active molecules. Biophys. J., 112(3) Supp1, 525a., 2017."
Phloretin;MM00681;O=C(CCc1ccc(O)cc1)c1c(O)cc(O)cc1O;VGEREEWJJVICBM-UHFFFAOYSA-N;274.27;2.32;4788;DB07810;G50;CHEMBL45068;DPhPC;EBLM;25;;;;;;;;;;;-3.62;;;;;;;;;;;;"Pohl P, Rokitskaya TI, Pohl EE, Saparov SM.: Permeation of phloretin across bilayer lipid membranes monitored by dipole potential and microelectrode measurements. Biochim Biophys Acta, Volume 1323 (2), 1997";"Lomize A.L., Pogozheva I.D.: Prediction of passive membrane permeability and translocation pathways of biologically active molecules. Biophys. J., 112(3) Supp1, 525a., 2017."
"N-Octylmalonic Acid";MM00670;CCCCCCCCC(C(=O)O)C(=O)O;QJGNSTCICFBACB-UHFFFAOYSA-N;216.28;2.52;12972;;;;DPhPC;EBLM;23;;"pH = 6";;;;;;;;;-3;;;;;;;;;;;;"Evtodienko VY, Bondarenko DI, Antonenko YN.: Permeation of dicarboxylic acids with different terminal position of two carboxylic groups through planar bilayer lipid membranes. Biochim Biophys Acta, Volume 1420 (1-2), 1999";"Lomize A.L., Pogozheva I.D.: Prediction of passive membrane permeability and translocation pathways of biologically active molecules. Biophys. J., 112(3) Supp1, 525a., 2017."
"Sebacic Acid";MM00689;O=C(O)CCCCCCCCC(=O)O;CXMXRPHRNRROMY-UHFFFAOYSA-N;202.25;2.28;5192;DB07645;DEC;CHEMBL1232164;DPhPC;EBLM;23;;"pH = 6";;;;;;;;;-3;;;;;;;;;;;;"Evtodienko VY, Bondarenko DI, Antonenko YN.: Permeation of dicarboxylic acids with different terminal position of two carboxylic groups through planar bilayer lipid membranes. Biochim Biophys Acta, Volume 1420 (1-2), 1999";"Lomize A.L., Pogozheva I.D.: Prediction of passive membrane permeability and translocation pathways of biologically active molecules. Biophys. J., 112(3) Supp1, 525a., 2017."
Enrofloxacin;MM00734;CCN1CCN(c2cc3c(cc2F)c(=O)c(C(=O)O)cn3C2CC2)CC1;SPFYMRJSYKOXGV-UHFFFAOYSA-N;359.4;2.32;71188;;;;DPhPC;ELIP;25;;"pH=7, GUV";;;;;;;;;-3.91;;;;;;;;;;;;"Cama J, Schaich M, Al Nahas K, Hernández-Ainsa S, Pagliara S, Keyser UF.: Direct Optofluidic Measurement of the Lipid Permeability of Fluoroquinolones. Sci Rep, Volume 6, 2016";"Lomize A.L., Pogozheva I.D.: Prediction of passive membrane permeability and translocation pathways of biologically active molecules. Biophys. J., 112(3) Supp1, 525a., 2017."
Pefloxacin;MM00770;CCn1cc(C(=O)O)c(=O)c2cc(F)c(N3CCN(C)CC3)cc21;FHFYDNQZQSQIAI-UHFFFAOYSA-N;333.36;1.61;51081;DB00487;;CHEMBL267648;DPhPC;ELIP;25;;"pH=7, GUV";;;;;;;;;-4.28;;;;;;;;;;;;"Cama J, Schaich M, Al Nahas K, Hernández-Ainsa S, Pagliara S, Keyser UF.: Direct Optofluidic Measurement of the Lipid Permeability of Fluoroquinolones. Sci Rep, Volume 6, 2016";"Lomize A.L., Pogozheva I.D.: Prediction of passive membrane permeability and translocation pathways of biologically active molecules. Biophys. J., 112(3) Supp1, 525a., 2017."
Fleroxacin;MM00736;CN1CCN(c2c(F)cc3c(=O)c(C(=O)O)cn(CCF)c3c2F)CC1;XBJBPGROQZJDOJ-UHFFFAOYSA-N;369.34;1.7;3357;DB04576;;CHEMBL6273;DPhPC;ELIP;25;;"pH=7, GUV";;;;;;;;;-4.96;;;;;;;;;;;;"Cama J, Schaich M, Al Nahas K, Hernández-Ainsa S, Pagliara S, Keyser UF.: Direct Optofluidic Measurement of the Lipid Permeability of Fluoroquinolones. Sci Rep, Volume 6, 2016";"Lomize A.L., Pogozheva I.D.: Prediction of passive membrane permeability and translocation pathways of biologically active molecules. Biophys. J., 112(3) Supp1, 525a., 2017."
Norfloxacin;MM00768;CCn1cc(C(=O)O)c(=O)c2cc(F)c(N3CCNCC3)cc21;OGJPXUAPXNRGGI-UHFFFAOYSA-N;319.34;1.27;4539;DB01059;;CHEMBL9;DPhPC;ELIP;25;;"pH=7, GUV";;;;;;;;;-6.23;;;;;;;;;;;;"Cama J, Schaich M, Al Nahas K, Hernández-Ainsa S, Pagliara S, Keyser UF.: Direct Optofluidic Measurement of the Lipid Permeability of Fluoroquinolones. Sci Rep, Volume 6, 2016";"Lomize A.L., Pogozheva I.D.: Prediction of passive membrane permeability and translocation pathways of biologically active molecules. Biophys. J., 112(3) Supp1, 525a., 2017."
"4-carboxymethylphenyl Acetyl_NHMe";MM01305;CNC(=O)Cc1ccc(C(=O)O)cc1;YPRZYKHZGFQSPK-UHFFFAOYSA-N;193.2;0.67;;;;;DOPC:DOPA;ELIP;25;;"LUV, DOPC:DOPA=96:4";;;;;;;;;-4.47;;;;;;;;;;;;"Cao Y, Xiang TX, Anderson BD.: Development of structure-lipid bilayer permeability relationships for peptide-like small organic molecules. Mol Pharm, Volume 5 (3), 2008";"Lomize A.L., Pogozheva I.D.: Prediction of passive membrane permeability and translocation pathways of biologically active molecules. Biophys. J., 112(3) Supp1, 525a., 2017."
"4-carboxymethylphenyl Acetyl-Gly-NMe2";MM01304;CN(C)C(=O)CNC(=O)Cc1ccc(C(=O)O)cc1;GDAMBRWKLGWCQC-UHFFFAOYSA-N;264.28;0.13;;;;;DOPC:DOPA;ELIP;25;;"LUV, DOPC:DOPA=96:4";;;;;;;;;-5.8;;;;;;;;;;;;"Cao Y, Xiang TX, Anderson BD.: Development of structure-lipid bilayer permeability relationships for peptide-like small organic molecules. Mol Pharm, Volume 5 (3), 2008";"Lomize A.L., Pogozheva I.D.: Prediction of passive membrane permeability and translocation pathways of biologically active molecules. Biophys. J., 112(3) Supp1, 525a., 2017."
"4-Methylphenylacetic Acid";MM00611;Cc1ccc(CC(=O)O)cc1;GXXXUZIRGXYDFP-UHFFFAOYSA-N;150.18;1.62;248474;;;;DOPC:DOPA;ELIP;25;;"LUV, DOPC:DOPA=96:4";;;;;;;;;-0.15;;;;;;;;;;;;"Cao Y, Xiang TX, Anderson BD.: Development of structure-lipid bilayer permeability relationships for peptide-like small organic molecules. Mol Pharm, Volume 5 (3), 2008";"Lomize A.L., Pogozheva I.D.: Prediction of passive membrane permeability and translocation pathways of biologically active molecules. Biophys. J., 112(3) Supp1, 525a., 2017."
"Alpha-Carbamoyl-methylhippuric Acid";MM00615;Cc1ccc(C(=O)NC(C(N)=O)C(=O)O)cc1;XJHVEOWGYHOARJ-UHFFFAOYSA-N;236.23;-0.34;54472514;;;;DOPC:DOPA;ELIP;25;;"LUV, DOPC:DOPA=96:4";;;;;;;;;-8;;;;;;;;;;;;"Cao Y, Xiang TX, Anderson BD.: Development of structure-lipid bilayer permeability relationships for peptide-like small organic molecules. Mol Pharm, Volume 5 (3), 2008";"Lomize A.L., Pogozheva I.D.: Prediction of passive membrane permeability and translocation pathways of biologically active molecules. Biophys. J., 112(3) Supp1, 525a., 2017."
"Alpha-Carboxy-p-methylhippuric Acid";MM00617;Cc1ccc(C(=O)NC(C(=O)O)C(=O)O)cc1;UMFHYXBPSFCHSI-UHFFFAOYSA-N;237.21;0.26;17851005;;;;DOPC:DOPA;ELIP;25;;"LUV, DOPC:DOPA=96:4";;;;;;;;;-6.77;;;;;;;;;;;;"Cao Y, Xiang TX, Anderson BD.: Development of structure-lipid bilayer permeability relationships for peptide-like small organic molecules. Mol Pharm, Volume 5 (3), 2008";"Lomize A.L., Pogozheva I.D.: Prediction of passive membrane permeability and translocation pathways of biologically active molecules. Biophys. J., 112(3) Supp1, 525a., 2017."
"Alpha-Cyano-p-methylhippuric Acid";MM00621;Cc1ccc(C(=O)NC(C#N)C(=O)O)cc1;ALQYGLQIKVIMRP-UHFFFAOYSA-N;218.21;0.7;129821670;;;;DOPC:DOPA;ELIP;25;;"LUV, DOPC:DOPA=96:4";;;;;;;;;-5.04;;;;;;;;;;;;"Cao Y, Xiang TX, Anderson BD.: Development of structure-lipid bilayer permeability relationships for peptide-like small organic molecules. Mol Pharm, Volume 5 (3), 2008";"Lomize A.L., Pogozheva I.D.: Prediction of passive membrane permeability and translocation pathways of biologically active molecules. Biophys. J., 112(3) Supp1, 525a., 2017."
"Alpha-Hydroxy-p-methylhippuric Acid";MM00623;Cc1ccc(C(=O)NC(O)C(=O)O)cc1;AANXJMXSRIEOHT-UHFFFAOYSA-N;209.2;0.13;129821665;;;;DOPC:DOPA;ELIP;25;;"LUV, DOPC:DOPA=96:4";;;;;;;;;-6.26;;;;;;;;;;;;"Cao Y, Xiang TX, Anderson BD.: Development of structure-lipid bilayer permeability relationships for peptide-like small organic molecules. Mol Pharm, Volume 5 (3), 2008";"Lomize A.L., Pogozheva I.D.: Prediction of passive membrane permeability and translocation pathways of biologically active molecules. Biophys. J., 112(3) Supp1, 525a., 2017."
"Alpha-Chloro-p-methylhippuric Acid";MM00619;Cc1ccc(C(=O)NC(Cl)C(=O)O)cc1;JYSJDCPCSAHBNY-UHFFFAOYSA-N;227.65;1.37;129821671;;;;DOPC:DOPA;ELIP;25;;"LUV, DOPC:DOPA=96:4";;;;;;;;;-3.46;;;;;;;;;;;;"Cao Y, Xiang TX, Anderson BD.: Development of structure-lipid bilayer permeability relationships for peptide-like small organic molecules. Mol Pharm, Volume 5 (3), 2008";"Lomize A.L., Pogozheva I.D.: Prediction of passive membrane permeability and translocation pathways of biologically active molecules. Biophys. J., 112(3) Supp1, 525a., 2017."
"Alpha-Methoxy-p-methylhippuric Acid";MM00625;COC(NC(=O)c1ccc(C)cc1)C(=O)O;KROOMEMGIODUJA-UHFFFAOYSA-N;223.23;0.78;129821666;;;;DOPC:DOPA;ELIP;25;;"LUV, DOPC:DOPA=96:4";;;;;;;;;-4;;;;;;;;;;;;"Cao Y, Xiang TX, Anderson BD.: Development of structure-lipid bilayer permeability relationships for peptide-like small organic molecules. Mol Pharm, Volume 5 (3), 2008";"Lomize A.L., Pogozheva I.D.: Prediction of passive membrane permeability and translocation pathways of biologically active molecules. Biophys. J., 112(3) Supp1, 525a., 2017."
Tol-Ala;MM00695;Cc1ccc(C(=O)N[C@@H](C)C(=O)O)cc1;LUQFCOKRPYVJGV-QMMMGPOBSA-N;207.23;1.2;702949;;;;DOPC:DOPA;ELIP;25;;"LUV, DOPC:DOPA=96:4";;;;;;;;;-2.64;;;;;;;;;;;;"Cao Y, Xiang TX, Anderson BD.: Development of structure-lipid bilayer permeability relationships for peptide-like small organic molecules. Mol Pharm, Volume 5 (3), 2008";"Lomize A.L., Pogozheva I.D.: Prediction of passive membrane permeability and translocation pathways of biologically active molecules. Biophys. J., 112(3) Supp1, 525a., 2017."
Tol-Ala-Ala;MM00696;Cc1ccc(C(=O)N[C@@H](C)C(=O)NC(C)C(=O)O)cc1;FBAZKLTYPHRTPD-RGURZIINSA-N;278.31;0.7;;;;;DOPC:DOPA;ELIP;25;;"LUV, DOPC:DOPA=96:4";;;;;;;;;-4.96;;;;;;;;;;;;"Cao Y, Xiang TX, Anderson BD.: Development of structure-lipid bilayer permeability relationships for peptide-like small organic molecules. Mol Pharm, Volume 5 (3), 2008";"Lomize A.L., Pogozheva I.D.: Prediction of passive membrane permeability and translocation pathways of biologically active molecules. Biophys. J., 112(3) Supp1, 525a., 2017."
Tol-Ala-Ala-Ala;MM00697;Cc1ccc(C(=O)N[C@@H](C)C(=O)NC(C)C(=O)NC(C)C(=O)O)cc1;AWXUDMFMJWEFLI-CXQJBGSLSA-N;349.39;0.21;;;;;DOPC:DOPA;ELIP;25;;"LUV, DOPC:DOPA=96:4";;;;;;;;;-7.02;;;;;;;;;;;;"Cao Y, Xiang TX, Anderson BD.: Development of structure-lipid bilayer permeability relationships for peptide-like small organic molecules. Mol Pharm, Volume 5 (3), 2008";"Lomize A.L., Pogozheva I.D.: Prediction of passive membrane permeability and translocation pathways of biologically active molecules. Biophys. J., 112(3) Supp1, 525a., 2017."
Tol-Gly;MM00698;Cc1ccc(C(=O)NCC(=O)O)cc1;NRSCPTLHWVWLLH-UHFFFAOYSA-N;193.2;0.81;97479;;;;DOPC:DOPA;ELIP;25;;"LUV, DOPC:DOPA=96:4";;;;;;;;;-3.19;;;;;;;;;;;;"Cao Y, Xiang TX, Anderson BD.: Development of structure-lipid bilayer permeability relationships for peptide-like small organic molecules. Mol Pharm, Volume 5 (3), 2008";"Lomize A.L., Pogozheva I.D.: Prediction of passive membrane permeability and translocation pathways of biologically active molecules. Biophys. J., 112(3) Supp1, 525a., 2017."
Tol-Gly-Gly;MM00699;Cc1ccc(C(=O)NCC(=O)NCC(=O)O)cc1;GFMIXHRADKOCKD-UHFFFAOYSA-N;250.25;-0.07;1612474;;;;DOPC:DOPA;ELIP;25;;"LUV, DOPC:DOPA=96:4";;;;;;;;;-6.38;;;;;;;;;;;;"Cao Y, Xiang TX, Anderson BD.: Development of structure-lipid bilayer permeability relationships for peptide-like small organic molecules. Mol Pharm, Volume 5 (3), 2008";"Lomize A.L., Pogozheva I.D.: Prediction of passive membrane permeability and translocation pathways of biologically active molecules. Biophys. J., 112(3) Supp1, 525a., 2017."
Tol-Gly-Gly-Gly;MM00700;Cc1ccc(C(=O)NCC(=O)NCC(=O)NCC(=O)O)cc1;OQIOHQJDADAQRO-UHFFFAOYSA-N;307.31;-0.96;;;;;DOPC:DOPA;ELIP;25;;"LUV, DOPC:DOPA=96:4";;;;;;;;;-8.77;;;;;;;;;;;;"Cao Y, Xiang TX, Anderson BD.: Development of structure-lipid bilayer permeability relationships for peptide-like small organic molecules. Mol Pharm, Volume 5 (3), 2008";"Lomize A.L., Pogozheva I.D.: Prediction of passive membrane permeability and translocation pathways of biologically active molecules. Biophys. J., 112(3) Supp1, 525a., 2017."
Tol-Gly-Gly-Sar;MM00701;Cc1ccc(C(=O)NCC(=O)NCC(=O)N(C)CC(=O)O)cc1;GPOXNQMQXBXEJG-UHFFFAOYSA-N;321.33;-0.62;;;;;DOPC:DOPA;ELIP;25;;"LUV, DOPC:DOPA=96:4";;;;;;;;;-7.31;;;;;;;;;;;;"Cao Y, Xiang TX, Anderson BD.: Development of structure-lipid bilayer permeability relationships for peptide-like small organic molecules. Mol Pharm, Volume 5 (3), 2008";"Lomize A.L., Pogozheva I.D.: Prediction of passive membrane permeability and translocation pathways of biologically active molecules. Biophys. J., 112(3) Supp1, 525a., 2017."
Tol-Gly-Sar;MM00702;Cc1ccc(C(=O)NCC(=O)N(C)CC(=O)O)cc1;LKGQGAPFEYAOCE-UHFFFAOYSA-N;264.28;0.27;43356167;;;;DOPC:DOPA;ELIP;25;;"LUV, DOPC:DOPA=96:4";;;;;;;;;-4.72;;;;;;;;;;;;"Cao Y, Xiang TX, Anderson BD.: Development of structure-lipid bilayer permeability relationships for peptide-like small organic molecules. Mol Pharm, Volume 5 (3), 2008";"Lomize A.L., Pogozheva I.D.: Prediction of passive membrane permeability and translocation pathways of biologically active molecules. Biophys. J., 112(3) Supp1, 525a., 2017."
Tol-Gly-Sar-Gly;MM00703;Cc1ccc(C(=O)NCC(=O)N(C)CC(=O)NCC(=O)O)cc1;VDLFQRLCHVTMPD-UHFFFAOYSA-N;321.33;-0.62;;;;;DOPC:DOPA;ELIP;25;;"LUV, DOPC:DOPA=96:4";;;;;;;;;-7.32;;;;;;;;;;;;"Cao Y, Xiang TX, Anderson BD.: Development of structure-lipid bilayer permeability relationships for peptide-like small organic molecules. Mol Pharm, Volume 5 (3), 2008";"Lomize A.L., Pogozheva I.D.: Prediction of passive membrane permeability and translocation pathways of biologically active molecules. Biophys. J., 112(3) Supp1, 525a., 2017."
Tol-Sar;MM00704;Cc1ccc(C(=O)N(C)CC(=O)O)cc1;WKEPQHRTXMIHLM-UHFFFAOYSA-N;207.23;1.15;16777360;;;;DOPC:DOPA;ELIP;25;;"LUV, DOPC:DOPA=96:4";;;;;;;;;-2.82;;;;;;;;;;;;"Cao Y, Xiang TX, Anderson BD.: Development of structure-lipid bilayer permeability relationships for peptide-like small organic molecules. Mol Pharm, Volume 5 (3), 2008";"Lomize A.L., Pogozheva I.D.: Prediction of passive membrane permeability and translocation pathways of biologically active molecules. Biophys. J., 112(3) Supp1, 525a., 2017."
Tol-Sar-Gly;MM00705;Cc1ccc(C(=O)N(C)CC(=O)NCC(=O)O)cc1;JDZZMSKJRWYDMH-UHFFFAOYSA-N;264.28;0.27;;;;;DOPC:DOPA;ELIP;25;;"LUV, DOPC:DOPA=96:4";;;;;;;;;-5.49;;;;;;;;;;;;"Cao Y, Xiang TX, Anderson BD.: Development of structure-lipid bilayer permeability relationships for peptide-like small organic molecules. Mol Pharm, Volume 5 (3), 2008";"Lomize A.L., Pogozheva I.D.: Prediction of passive membrane permeability and translocation pathways of biologically active molecules. Biophys. J., 112(3) Supp1, 525a., 2017."
Tol-Sar-Gly-Gly;MM00706;Cc1ccc(C(=O)N(C)CC(=O)NCC(=O)NCC(=O)O)cc1;GQINUZIFINBVAM-UHFFFAOYSA-N;321.33;-0.62;;;;;DOPC:DOPA;ELIP;25;;"LUV, DOPC:DOPA=96:4";;;;;;;;;-7.85;;;;;;;;;;;;"Cao Y, Xiang TX, Anderson BD.: Development of structure-lipid bilayer permeability relationships for peptide-like small organic molecules. Mol Pharm, Volume 5 (3), 2008";"Lomize A.L., Pogozheva I.D.: Prediction of passive membrane permeability and translocation pathways of biologically active molecules. Biophys. J., 112(3) Supp1, 525a., 2017."
Tol-Sar-Sar-Gly;MM00707;Cc1ccc(C(=O)N(C)CC(=O)N(C)CC(=O)NCC(=O)O)cc1;GQJNIDFZAHXWIX-UHFFFAOYSA-N;335.36;-0.27;;;;;DOPC:DOPA;ELIP;25;;"LUV, DOPC:DOPA=96:4";;;;;;;;;-7.12;;;;;;;;;;;;"Cao Y, Xiang TX, Anderson BD.: Development of structure-lipid bilayer permeability relationships for peptide-like small organic molecules. Mol Pharm, Volume 5 (3), 2008";"Lomize A.L., Pogozheva I.D.: Prediction of passive membrane permeability and translocation pathways of biologically active molecules. Biophys. J., 112(3) Supp1, 525a., 2017."
"4-carboxymethylphenyl Acetyl-NMe2";MM01306;CN(C)C(=O)Cc1ccc(C(=O)O)cc1;LJTQUFHONBMKSS-UHFFFAOYSA-N;207.23;1.02;;;;;DOPC:DOPA;ELIP;25;;"LUV, DOPC:DOPA=96:4";;;;;;;;;-3.48;;;;;;;;;;;;"Cao Y, Xiang TX, Anderson BD.: Development of structure-lipid bilayer permeability relationships for peptide-like small organic molecules. Mol Pharm, Volume 5 (3), 2008";"Lomize A.L., Pogozheva I.D.: Prediction of passive membrane permeability and translocation pathways of biologically active molecules. Biophys. J., 112(3) Supp1, 525a., 2017."
Pentanamide;MM00403;CCCCC(N)=O;IPWFJLQDVFKJDU-UHFFFAOYSA-N;101.15;0.66;12298;;;;EggPC;ELIP;24;;;;;;;;;;;-3.74;;;;;;;;;;;;"Poznansky M, Tong S, White PC, Milgram JM, Solomon AK.: Nonelectrolyte diffusion across lipid bilayer systems. J Gen Physiol, Volume 67 (1), 1976";"Lomize A.L., Pogozheva I.D.: Prediction of passive membrane permeability and translocation pathways of biologically active molecules. Biophys. J., 112(3) Supp1, 525a., 2017."
Propanamide;MM00413;CCC(N)=O;QLNJFJADRCOGBJ-UHFFFAOYSA-N;73.1;-0.12;6578;DB04161;ROP;CHEMBL1235716;EggPC;ELIP;24;;;;;;;;;;;-4.21;;;;;;;;;;;;"Poznansky M, Tong S, White PC, Milgram JM, Solomon AK.: Nonelectrolyte diffusion across lipid bilayer systems. J Gen Physiol, Volume 67 (1), 1976";"Lomize A.L., Pogozheva I.D.: Prediction of passive membrane permeability and translocation pathways of biologically active molecules. Biophys. J., 112(3) Supp1, 525a., 2017."
"2-Hydroxynicotinic Acid";MM00599;O=C(O)c1ccc[nH]c1=O;UEYQJQVBUVAELZ-UHFFFAOYSA-N;139.11;0.07;69114;;;;EggPC;ELIP;25;;"pH=7, LUV";;;;;;;;;-6.78;;;;;;;;;;;;"Thomae AV, Koch T, Panse C, Wunderli-Allenspach H, Krämer SD.: Comparing the lipid membrane affinity and permeation of drug-like acids: the intriguing effects of cholesterol and charged lipids. Pharm Res, Volume 24 (8), 2007";"Lomize A.L., Pogozheva I.D.: Prediction of passive membrane permeability and translocation pathways of biologically active molecules. Biophys. J., 112(3) Supp1, 525a., 2017."
"3,5-Dichlorobenzoic Acid";MM00603;O=C(O)c1cc(Cl)cc(Cl)c1;CXKCZFDUOYMOOP-UHFFFAOYSA-N;191.01;2.69;5811;;;;EggPC;ELIP;25;;"pH=7, LUV";;;;;;;;;-7.17;;;;;;;;;;;;"Thomae AV, Koch T, Panse C, Wunderli-Allenspach H, Krämer SD.: Comparing the lipid membrane affinity and permeation of drug-like acids: the intriguing effects of cholesterol and charged lipids. Pharm Res, Volume 24 (8), 2007";"Lomize A.L., Pogozheva I.D.: Prediction of passive membrane permeability and translocation pathways of biologically active molecules. Biophys. J., 112(3) Supp1, 525a., 2017."
"2-Aminobenzoic Acid";MM00596;Nc1ccccc1C(=O)O;RWZYAGGXGHYGMB-UHFFFAOYSA-N;137.14;0.97;227;DB04166;BE2;CHEMBL14173;EggPC;ELIP;25;;"pH=7, LUV";;;;;;;;;-8.73;;;;;;;;;;;;"Thomae AV, Koch T, Panse C, Wunderli-Allenspach H, Krämer SD.: Comparing the lipid membrane affinity and permeation of drug-like acids: the intriguing effects of cholesterol and charged lipids. Pharm Res, Volume 24 (8), 2007";"Lomize A.L., Pogozheva I.D.: Prediction of passive membrane permeability and translocation pathways of biologically active molecules. Biophys. J., 112(3) Supp1, 525a., 2017."
D-Fructose;MM00351;OCC1(O)OC[C@@H](O)[C@@H](O)[C@@H]1O;LKDRXBCSQODPBY-VRPWFDPXSA-N;180.16;-3.22;2723872;;;;EggPC;ELIP;25;;"pH=7.5, LUV";;;;;;;;;-9.4;;;;;;;;;;;;"Brunner J, Graham DE, Hauser H, Semenza G.: Ion and sugar permeabilities of lecithin bilayers: comparison of curved and planar bilayers. J Membr Biol, Volume 57 (2), 1980";"Lomize A.L., Pogozheva I.D.: Prediction of passive membrane permeability and translocation pathways of biologically active molecules. Biophys. J., 112(3) Supp1, 525a., 2017."
D-Glucose;MM00352;OCC1OC(O)C(O)C(O)C1O;WQZGKKKJIJFFOK-GASJEMHNSA-N;180.16;-3.22;5793;;;CHEMBL1222250;EggPC;ELIP;25;;"pH=7.5, LUV";;;;;;;;;-10.52;;;;;;;;;;;;"Brunner J, Graham DE, Hauser H, Semenza G.: Ion and sugar permeabilities of lecithin bilayers: comparison of curved and planar bilayers. J Membr Biol, Volume 57 (2), 1980";"Lomize A.L., Pogozheva I.D.: Prediction of passive membrane permeability and translocation pathways of biologically active molecules. Biophys. J., 112(3) Supp1, 525a., 2017."
Sucrose;MM00421;OCC1OC(OC2(CO)OC(CO)C(O)C2O)C(O)C(O)C1O;CZMRCDWAGMRECN-UGDNZRGBSA-N;342.3;-5.4;5988;DB02772;SUC;CHEMBL253582;EggPC;ELIP;25;;"pH=7.5, LUV";;;;;;;;;-13.1;;;;;;;;;;;;"Brunner J, Graham DE, Hauser H, Semenza G.: Ion and sugar permeabilities of lecithin bilayers: comparison of curved and planar bilayers. J Membr Biol, Volume 57 (2), 1980";"Lomize A.L., Pogozheva I.D.: Prediction of passive membrane permeability and translocation pathways of biologically active molecules. Biophys. J., 112(3) Supp1, 525a., 2017."
Methylamine;MM00515;CN;BAVYZALUXZFZLV-UHFFFAOYSA-N;31.06;-0.43;6329;DB01828;NME;CHEMBL43280;EggPC;ELIP;25;;"pH = 7.1, MLV";;;;;;;;;-6;;;;;;;;;;;;"Bar-On Z, Degani H.: Permeability of alkylamines across phosphatidylcholine vesicles as studied by 1H-NMR. Biochim Biophys Acta, Volume 813 (2), 1985";"Lomize A.L., Pogozheva I.D.: Prediction of passive membrane permeability and translocation pathways of biologically active molecules. Biophys. J., 112(3) Supp1, 525a., 2017."
Amylamine;MM00537;CCCCCN;DPBLXKKOBLCELK-UHFFFAOYSA-N;87.17;1.14;8060;DB02045;AML;;EggPC;ELIP;25;;"pH = 7.1, MLV";;;;;;;;;-3.4;;;;;;;;;;;;"Bar-On Z, Degani H.: Permeability of alkylamines across phosphatidylcholine vesicles as studied by 1H-NMR. Biochim Biophys Acta, Volume 813 (2), 1985";"Lomize A.L., Pogozheva I.D.: Prediction of passive membrane permeability and translocation pathways of biologically active molecules. Biophys. J., 112(3) Supp1, 525a., 2017."
1-Propylamine;MM00436;CCCN;WGYKZJWCGVVSQN-UHFFFAOYSA-N;59.11;0.36;7852;;;;EggPC;ELIP;25;;"pH = 7.1, MLV";;;;;;;;;-5.37;;;;;;;;;;;;"Bar-On Z, Degani H.: Permeability of alkylamines across phosphatidylcholine vesicles as studied by 1H-NMR. Biochim Biophys Acta, Volume 813 (2), 1985";"Lomize A.L., Pogozheva I.D.: Prediction of passive membrane permeability and translocation pathways of biologically active molecules. Biophys. J., 112(3) Supp1, 525a., 2017."
L-epinephrine;MM00644;CNCC(O)c1ccc(O)c(O)c1;UCTWMZQNUQWSLP-UHFFFAOYSA-N;183.21;0.35;5816;DB00668;ALE;CHEMBL679;EggPC;ELIP;25;;;;;;;;;;;-5.57;;;;;;;;;;;;"Bochain A, Estey L, Haronian G, Reale M, Rojas C, Cramer J.: Determination of catecholamine permeability coefficients for passive diffusion across phospholipid vesicle membranes. J Membr Biol, Volume 60 (1), 1981";"Lomize A.L., Pogozheva I.D.: Prediction of passive membrane permeability and translocation pathways of biologically active molecules. Biophys. J., 112(3) Supp1, 525a., 2017."
"Citric Acid";MM00642;O=C(O)CC(O)(CC(=O)O)C(=O)O;KRKNYBCHXYNGOX-UHFFFAOYSA-N;192.12;-1.25;311;DB04272;CIT;CHEMBL1261;EggPC:PA;ELIP;25;;"pH = 7, MLV, EggPC:PA=9:1";;;;;;;;;-10.51;;;;;;;;;;;;"Akeson MA, Munns DN.: Lipid bilayer permeation by neutral aluminum citrate and by three alpha-hydroxy carboxylic acids. Biochim Biophys Acta, Volume 984 (2), 1989";"Lomize A.L., Pogozheva I.D.: Prediction of passive membrane permeability and translocation pathways of biologically active molecules. Biophys. J., 112(3) Supp1, 525a., 2017."
"Malic Acid";MM00666;O=C(O)CC(O)C(=O)O;BJEPYKJPYRNKOW-UHFFFAOYSA-N;134.09;-1.09;525;DB12751;;CHEMBL1455497;EggPC:PA;ELIP;25;;"pH = 7, MLV, EggPC:PA=9:1";;;;;;;;;-7.92;;;;;;;;;;;;"Akeson MA, Munns DN.: Lipid bilayer permeation by neutral aluminum citrate and by three alpha-hydroxy carboxylic acids. Biochim Biophys Acta, Volume 984 (2), 1989";"Lomize A.L., Pogozheva I.D.: Prediction of passive membrane permeability and translocation pathways of biologically active molecules. Biophys. J., 112(3) Supp1, 525a., 2017."
Glycine;MM00741;NCC(=O)O;DHMQDGOQFOQNFH-UHFFFAOYSA-N;75.07;-0.97;750;DB00145;GLY;CHEMBL773;EggPC:PA;ELIP;25;;"pH = 7, MLV, EggPC:PA=9:1";;;;;;;;;-11.24;;;;;;;;;;;;"Akeson MA, Munns DN.: Lipid bilayer permeation by neutral aluminum citrate and by three alpha-hydroxy carboxylic acids. Biochim Biophys Acta, Volume 984 (2), 1989";"Lomize A.L., Pogozheva I.D.: Prediction of passive membrane permeability and translocation pathways of biologically active molecules. Biophys. J., 112(3) Supp1, 525a., 2017."
L-Serine;MM00757;N[C@@H](CO)C(=O)O;MTCFGRXMJLQNBG-REOHCLBHSA-N;105.09;-1.61;5951;DB00133;SER;CHEMBL11298;EggPC:PA;ELIP;25;;"pH = 7, MLV, EggPC:PA=9:1";;;;;;;;;-11.26;;;;;;;;;;;;"Akeson MA, Munns DN.: Lipid bilayer permeation by neutral aluminum citrate and by three alpha-hydroxy carboxylic acids. Biochim Biophys Acta, Volume 984 (2), 1989";"Lomize A.L., Pogozheva I.D.: Prediction of passive membrane permeability and translocation pathways of biologically active molecules. Biophys. J., 112(3) Supp1, 525a., 2017."
L-Lysine;MM00753;NCCCC[C@H](N)C(=O)O;KDXKERNSBIXSRK-YFKPBYRVSA-N;146.19;-0.47;5962;DB00123;LYS;CHEMBL8085;EggPC:PA;ELIP;25;;"pH = 7, MLV, EggPC:PA=9:1";;;;;;;;;-11.29;;;;;;;;;;;;"Akeson MA, Munns DN.: Lipid bilayer permeation by neutral aluminum citrate and by three alpha-hydroxy carboxylic acids. Biochim Biophys Acta, Volume 984 (2), 1989";"Lomize A.L., Pogozheva I.D.: Prediction of passive membrane permeability and translocation pathways of biologically active molecules. Biophys. J., 112(3) Supp1, 525a., 2017."
L-Tryptophan;MM00759;N[C@@H](Cc1c[nH]c2ccccc12)C(=O)O;QIVBCDIJIAJPQS-VIFPVBQESA-N;204.23;1.12;6305;DB00150;TRP;CHEMBL54976;EggPC:PA;ELIP;25;;"pH = 7, MLV, EggPC:PA=9:1";;;;;;;;;-9.38;;;;;;;;;;;;"Akeson MA, Munns DN.: Lipid bilayer permeation by neutral aluminum citrate and by three alpha-hydroxy carboxylic acids. Biochim Biophys Acta, Volume 984 (2), 1989";"Lomize A.L., Pogozheva I.D.: Prediction of passive membrane permeability and translocation pathways of biologically active molecules. Biophys. J., 112(3) Supp1, 525a., 2017."
L-Phenylalanine;MM00756;NC(Cc1ccccc1)C(=O)O;COLNVLDHVKWLRT-QMMMGPOBSA-N;165.19;0.64;6140;DB00120;PHE;CHEMBL301523;EggPC:PA;ELIP;25;;"pH = 7, MLV, EggPC:PA=9:1";;;;;;;;;-9.6;;;;;;;;;;;;"Akeson MA, Munns DN.: Lipid bilayer permeation by neutral aluminum citrate and by three alpha-hydroxy carboxylic acids. Biochim Biophys Acta, Volume 984 (2), 1989";"Lomize A.L., Pogozheva I.D.: Prediction of passive membrane permeability and translocation pathways of biologically active molecules. Biophys. J., 112(3) Supp1, 525a., 2017."
Domperidone;MM00481;O=c1[nH]c2ccccc2n1CCCN1CCC(n2c(=O)[nH]c3cc(Cl)ccc32)CC1;FGXWKSZFVQUSTL-UHFFFAOYSA-N;425.92;3.35;3151;DB01184;;CHEMBL219916;POPC;ELIP;25;;"pH=5.9, LUV";;;;;;;;;-2.6;;;;;;;;;;;;"Eyer K, Paech F, Schuler F, Kuhn P, Kissner R, Belli S, Dittrich PS, Krämer SD.: A liposomal fluorescence assay to study permeation kinetics of drug-like weak bases across the lipid bilayer. J Control Release, Volume 173, 102-109, 2014";"Lomize A.L., Pogozheva I.D.: Prediction of passive membrane permeability and translocation pathways of biologically active molecules. Biophys. J., 112(3) Supp1, 525a., 2017."
Chlorpromazine;MM00461;CN(C)CCCN1c2ccccc2Sc2ccc(Cl)cc21;ZPEIMTDSQAKGNT-UHFFFAOYSA-N;318.87;4.89;2726;DB00477;Z80;CHEMBL71;POPC;ELIP;25;;"pH=5.9, LUV";;;;;;;;;0.59;;;;;;;;;;;;"Eyer K, Paech F, Schuler F, Kuhn P, Kissner R, Belli S, Dittrich PS, Krämer SD.: A liposomal fluorescence assay to study permeation kinetics of drug-like weak bases across the lipid bilayer. J Control Release, Volume 173, 102-109, 2014";"Lomize A.L., Pogozheva I.D.: Prediction of passive membrane permeability and translocation pathways of biologically active molecules. Biophys. J., 112(3) Supp1, 525a., 2017."
Labetalol;MM00507;CC(CCc1ccccc1)NCC(O)c1ccc(O)c(C(N)=O)c1;SGUAFYQXFOLMHL-UHFFFAOYSA-N;328.41;2.14;3869;DB00598;;CHEMBL429;POPC;ELIP;25;;"pH=5.9, LUV";;;;;;;;;-2.1;;;;;;;;;;;;"Eyer K, Paech F, Schuler F, Kuhn P, Kissner R, Belli S, Dittrich PS, Krämer SD.: A liposomal fluorescence assay to study permeation kinetics of drug-like weak bases across the lipid bilayer. J Control Release, Volume 173, 102-109, 2014";"Lomize A.L., Pogozheva I.D.: Prediction of passive membrane permeability and translocation pathways of biologically active molecules. Biophys. J., 112(3) Supp1, 525a., 2017."
Loperamide;MM00509;CN(C)C(=O)C(CCN1CCC(O)(c2ccc(Cl)cc2)CC1)(c1ccccc1)c1ccccc1;RDOIQAHITMMDAJ-UHFFFAOYSA-N;477.05;5.09;3955;DB00836;;CHEMBL841;POPC;ELIP;25;;"pH=5.9, LUV";;;;;;;;;-0.42;;;;;;;;;;;;"Eyer K, Paech F, Schuler F, Kuhn P, Kissner R, Belli S, Dittrich PS, Krämer SD.: A liposomal fluorescence assay to study permeation kinetics of drug-like weak bases across the lipid bilayer. J Control Release, Volume 173, 102-109, 2014";"Lomize A.L., Pogozheva I.D.: Prediction of passive membrane permeability and translocation pathways of biologically active molecules. Biophys. J., 112(3) Supp1, 525a., 2017."
Propranolol;MM00085;CC(C)NCC(O)COc1cccc2ccccc12;AQHHHDLHHXJYJD-UHFFFAOYSA-N;259.35;2.58;4946;DB00571;;CHEMBL27;POPC;ELIP;25;;"pH=5.9, LUV";;;;;;;;;0.19;;;;;;;;;;;;"Eyer K, Paech F, Schuler F, Kuhn P, Kissner R, Belli S, Dittrich PS, Krämer SD.: A liposomal fluorescence assay to study permeation kinetics of drug-like weak bases across the lipid bilayer. J Control Release, Volume 173, 102-109, 2014";"Lomize A.L., Pogozheva I.D.: Prediction of passive membrane permeability and translocation pathways of biologically active molecules. Biophys. J., 112(3) Supp1, 525a., 2017."
Verapamil;MM00585;COc1ccc(CCN(C)CCCC(C#N)(c2ccc(OC)c(OC)c2)C(C)C)cc1OC;SGTNSNPWRIOYBX-UHFFFAOYSA-N;454.61;5.09;2520;DB00661;;CHEMBL6966;POPC;ELIP;25;;"pH=5.9, LUV";;;;;;;;;0.01;;;;;;;;;;;;"Eyer K, Paech F, Schuler F, Kuhn P, Kissner R, Belli S, Dittrich PS, Krämer SD.: A liposomal fluorescence assay to study permeation kinetics of drug-like weak bases across the lipid bilayer. J Control Release, Volume 173, 102-109, 2014";"Lomize A.L., Pogozheva I.D.: Prediction of passive membrane permeability and translocation pathways of biologically active molecules. Biophys. J., 112(3) Supp1, 525a., 2017."
1-butanol;MM00340;CCCCO;LRHPLDYGYMQRHN-UHFFFAOYSA-N;74.12;0.78;263;DB02145;1BO;CHEMBL14245;SOPC:SOPS;ELIP;25;;"GUV, SOPC:SOPS=99.5:0.5";;;;;;;;;-2.92;;;;;;;;;;;;"Ly HV, Longo ML.: The influence of short-chain alcohols on interfacial tension, mechanical properties, area/molecule, and permeability of fluid lipid bilayers. Biophys J, Volume 87 (2), 2004";"Lomize A.L., Pogozheva I.D.: Prediction of passive membrane permeability and translocation pathways of biologically active molecules. Biophys. J., 112(3) Supp1, 525a., 2017."
1-Propanol;MM00061;CCCO;BDERNNFJNOPAEC-UHFFFAOYSA-N;60.1;0.39;1031;DB03175;POL;CHEMBL14687;SOPC:SOPS;ELIP;25;;"GUV, SOPC:SOPS=99.5:0.5";;;;;;;;;-3.55;;;;;;;;;;;;"Ly HV, Longo ML.: The influence of short-chain alcohols on interfacial tension, mechanical properties, area/molecule, and permeability of fluid lipid bilayers. Biophys J, Volume 87 (2), 2004";"Lomize A.L., Pogozheva I.D.: Prediction of passive membrane permeability and translocation pathways of biologically active molecules. Biophys. J., 112(3) Supp1, 525a., 2017."
Meso-erythritol;MM00068;OC[C@H](O)[C@H](O)CO;UNXHWFMMPAWVPI-ZXZARUISSA-N;122.12;-2.31;222285;DB04481;MRY;CHEMBL349605;POPC:CHOL:DPPCA;ELIP;23;;"LUV, POPC:CHOL:DPPCA=20:15:2";;;;;;;;;-6.4;;;;;;;;;;;;"Sacerdote MG, Szostak JW.: Semipermeable lipid bilayers exhibit diastereoselectivity favoring ribose. Proc Natl Acad Sci U S A, Volume 102 (17), 2005";"Lomize A.L., Pogozheva I.D.: Prediction of passive membrane permeability and translocation pathways of biologically active molecules. Biophys. J., 112(3) Supp1, 525a., 2017."
Ethanolamine;MM00490;NCCO;HZAXFHJVJLSVMW-UHFFFAOYSA-N;61.08;-1.06;700;DB03994;ETA;CHEMBL104943;GENER;ELIP;25;;"renal liposomes";;;;;;;;;-4.89;;;;;;;;;;;;"Piqueras AI, Somers M, Hammond TG, Strange K, Harris HW, Gawryl M, Zeidel ML.: Permeability properties of rat renal lysosomes. Am J Physiol, Volume 266 (1 pt 1), 1994";"Lomize A.L., Pogozheva I.D.: Prediction of passive membrane permeability and translocation pathways of biologically active molecules. Biophys. J., 112(3) Supp1, 525a., 2017."
"Valeric Acid";MM00710;CCCCC(=O)O;NQPDZGIKBAWPEJ-UHFFFAOYSA-N;102.13;1.26;7991;DB02406;LEA;CHEMBL268736;DPPC:DOPC:CHOL;ELIP;25;;"pH=7, GUV, DPPC:DOPC:CHOL=1:1:1";;;;;;;;;-1.1;;;;;;;;;;;;"Li S, Hu PC, Malmstadt N.: Imaging molecular transport across lipid bilayers. Biophys J, Volume 101 (3), 2011";"Lomize A.L., Pogozheva I.D.: Prediction of passive membrane permeability and translocation pathways of biologically active molecules. Biophys. J., 112(3) Supp1, 525a., 2017."
"Benzoic Acid";MM00630;O=C(O)c1ccccc1;WPYMKLBDIGXBTP-UHFFFAOYSA-N;122.12;1.38;243;DB03793;BEZ;CHEMBL541;CACO;CPMM;25;;"<a href=https://permm.phar.umich.edu/  target=_blank>PerMM web server</a>";;;;;;;;;-3.59;;;;;;;;;;;;"Lomize AL, Pogozheva ID.: Physics-Based Method for Modeling Passive Membrane Permeability and Translocation Pathways of Bioactive Molecules. J Chem Inf Model, Volume 59 (7), 2019";"PerMM web server"
"Ethylene glycol";MM00360;OCCO;LYCAIKOWRPUZTN-UHFFFAOYSA-N;62.07;-1.03;174;;;;CACO;CPMM;25;;"<a href=https://permm.phar.umich.edu/  target=_blank>PerMM web server</a>";;;;;;;;;-4.7;;;;;;;;;;;;"Lomize AL, Pogozheva ID.: Physics-Based Method for Modeling Passive Membrane Permeability and Translocation Pathways of Bioactive Molecules. J Chem Inf Model, Volume 59 (7), 2019";"PerMM web server"
Tol-Gly-Gly;MM00699;Cc1ccc(C(=O)NCC(=O)NCC(=O)O)cc1;GFMIXHRADKOCKD-UHFFFAOYSA-N;250.25;-0.07;1612474;;;;CACO;CPMM;25;0;"<a href=https://permm.phar.umich.edu/  target=_blank>PerMM web server</a>";;;;;;;;;-4.67;;;;;;;;;;;;"Lomize AL, Pogozheva ID.: Physics-Based Method for Modeling Passive Membrane Permeability and Translocation Pathways of Bioactive Molecules. J Chem Inf Model, Volume 59 (7), 2019";"PerMM web server"
"Ethylene glycol";MM00360;OCCO;LYCAIKOWRPUZTN-UHFFFAOYSA-N;62.07;-1.03;174;;;;CACO;CPMM;25;;"pH=6.5 ,<a href=https://permm.phar.umich.edu/  target=_blank>PerMM web server</a>";;;;;;;;;-4.7;;;;;;;;;;;;"Lomize AL, Pogozheva ID.: Physics-Based Method for Modeling Passive Membrane Permeability and Translocation Pathways of Bioactive Molecules. J Chem Inf Model, Volume 59 (7), 2019";"PerMM web server"
"12-Hydroxydodecanoic Acid";MM00593;O=C(O)CCCCCCCCCCCO;ZDHCZVWCTKTBRY-UHFFFAOYSA-N;216.32;2.96;79034;DB03704;12H;CHEMBL55068;DOPC;CCM18;25;0;;;;;;;;;;-0.58;;;;;;;;;;;;"in-house calculations";"in-house calculations"
"2-Hydroxynicotinic Acid";MM00599;O=C(O)c1ccc[nH]c1=O;UEYQJQVBUVAELZ-UHFFFAOYSA-N;139.11;0.07;69114;;;;DOPC;CCM18;25;0;;;;;;;;;;-7.27;;;;;;;;;;;;"in-house calculations";"in-house calculations"
"3,4-Dihydroxyphenylacetic Acid";MM00602;O=C(O)Cc1ccc(O)c(O)c1;CFFZDZCDUFSOFZ-UHFFFAOYSA-N;168.15;0.72;547;DB01702;DHY;CHEMBL1284;DOPC;CCM18;25;0;;;;;;;;;;-3.82;;;;;;;;;;;;"in-house calculations";"in-house calculations"
"3,5-Dichlorobenzoic Acid";MM00603;O=C(O)c1cc(Cl)cc(Cl)c1;CXKCZFDUOYMOOP-UHFFFAOYSA-N;191.01;2.69;5811;;;;DOPC;CCM18;25;0;;;;;;;;;;0.2;;;;;;;;;;;;"in-house calculations";"in-house calculations"
"3-Hydroxyphenylacetic Acid";MM00604;O=C(O)Cc1cccc(O)c1;FVMDYYGIDFPZAX-UHFFFAOYSA-N;152.15;1.02;12122;;;190035;DOPC;CCM18;25;0;;;;;;;;;;-4.03;;;;;;;;;;;;"in-house calculations";"in-house calculations"
"3-Phenylpropionic Acid";MM00605;O=C(O)CCc1ccccc1;XMIIGOLPHOKFCH-UHFFFAOYSA-N;150.18;1.7;107;DB02024;HCI;CHEMBL851;DOPC;CCM18;25;0;;;;;;;;;;-0.47;;;;;;;;;;;;"in-house calculations";"in-house calculations"
"Acetylsalicylic Acid";MM00080;CC(=O)Oc1ccccc1C(=O)O;BSYNRYMUTXBXSQ-UHFFFAOYSA-N;180.16;1.31;2244;DB00945;AIN;CHEMBL25;DOPC;CCM18;25;0;;;;;;;;;;-1.21;;;;;;;;;;;;"in-house calculations";"in-house calculations"
"2-Aminobenzoic Acid";MM00596;Nc1ccccc1C(=O)O;RWZYAGGXGHYGMB-UHFFFAOYSA-N;137.14;0.97;227;DB04166;BE2;CHEMBL14173;DOPC;CCM18;25;0;;;;;;;;;;-1.33;;;;;;;;;;;;"in-house calculations";"in-house calculations"
"Ascorbic Acid";MM00628;O=C1O[C@H]([C@@H](O)CO)C(O)=C1O;CIWBSHSKHKDKBQ-JLAZNSOCSA-N;176.12;-1.41;54670067;DB00126;ASC;CHEMBL196;DOPC;CCM18;25;0;;;;;;;;;;-7.44;;;;;;;;;;;;"in-house calculations";"in-house calculations"
"L-Aspartic Acid";MM00745;N[C@@H](CC(=O)O)C(=O)O;CKLJMWTZIZZHCS-REOHCLBHSA-N;133.1;-1.13;5960;DB00128;IAS;CHEMBL274323;DOPC;CCM18;25;0;;;;;;;;;;-5.47;;;;;;;;;;;;"in-house calculations";"in-house calculations"
"Flufenamic Acid";MM00645;O=C(O)c1ccccc1Nc1cccc(C(F)(F)F)c1;LPEPZBJOKDYZAD-UHFFFAOYSA-N;281.23;4.15;3371;DB02266;FLF;CHEMBL23588;DOPC;CCM18;25;0;;;;;;;;;;0.37;;;;;;;;;;;;"in-house calculations";"in-house calculations"
"L-Glutamic Acid";MM00747;NC(CCC(=O)O)C(=O)O;WHUUTDBJXJRKMK-UHFFFAOYSA-N;147.13;-0.74;33032;DB00142;GGL;CHEMBL575060;DOPC;CCM18;25;0;;;;;;;;;;-4.57;;;;;;;;;;;;"in-house calculations";"in-house calculations"
"Iodoacetic Acid";MM00657;O=C(O)CI;JDNTWHVOXJZDSN-UHFFFAOYSA-N;185.95;0.51;5240;;;;DOPC;CCM18;25;0;;;;;;;;;;-2.42;;;;;;;;;;;;"in-house calculations";"in-house calculations"
"Lactic Acid";MM01543;CC(O)C(=O)O;JVTAAEKCZFNVCJ-UHFFFAOYSA-N;90.08;-0.55;612;;;;DOPC;CCM18;25;0;;;;;;;;;;-3.05;;;;;;;;;;;;"in-house calculations";"in-house calculations"
"Rosmarinic Acid";MM00687;O=C(/C=C/c1ccc(O)c(O)c1)O[C@H](Cc1ccc(O)c(O)c1)C(=O)O;DOUMFZQKYFQNTF-WUTVXBCWSA-N;360.32;1.76;5281792;;;;DOPC;CCM18;25;0;;;;;;;;;;-3.42;;;;;;;;;;;;"in-house calculations";"in-house calculations"
"Taurocholic Acid";MM00691;CC(CCC(=O)NCCS(=O)(=O)O)C1CCC2C3C(O)CC4CC(O)CCC4(C)C3CC(O)C12C;WBWWGRHZICKQGZ-UHFFFAOYSA-N;515.71;2.37;6675;DB04348;TCH;CHEMBL224867;DOPC;CCM18;25;-1;;;;;;;;;;-16.69;;;;;;;;;;;;"in-house calculations";"in-house calculations"
"Mefenamic Acid";MM00667;Cc1cccc(Nc2ccccc2C(=O)O)c1C;HYYBABOKPJLUIN-UHFFFAOYSA-N;241.29;3.75;4044;DB00784;ID8;CHEMBL686;DOPC;CCM18;25;-1;;;;;;;;;;-20.77;;;;;;;;;;;;"in-house calculations";"in-house calculations"
"Kynurenic Acid";MM00663;O=C(O)c1cc(=O)c2ccccc2[nH]1;HCZHHEIFKROPDY-UHFFFAOYSA-N;189.17;1.23;3845;DB11937;KYA;CHEMBL299155;DOPC;CCM18;25;-1;;;;;;;;;;-22.65;;;;;;;;;;;;"in-house calculations";"in-house calculations"
"9-Anthroic Acid";MM00612;O=C(O)c1c2ccccc2cc2ccccc12;XGWFJBFNAQHLEF-UHFFFAOYSA-N;222.24;3.69;2201;;;;DOPC;CCM18;25;-1;;;;;;;;;;-24.36;;;;;;;;;;;;"in-house calculations";"in-house calculations"
"2-Hydroxycaproic Acid";MM00598;CCCC[C@H](O)C(=O)O;NYHNVHGFPZAZGA-YFKPBYRVSA-N;132.16;0.62;99824;;;;DOPC;CCM18;25;-1;;;;;;;;;;-24.39;;;;;;;;;;;;"in-house calculations";"in-house calculations"
"Vanillic Acid";MM00712;COc1cc(C(=O)O)ccc1O;WKOLLVMJNQIZCI-UHFFFAOYSA-N;168.15;1.1;8468;DB02130;VNL;CHEMBL120568;DOPC;CCM18;25;-1;;;;;;;;;;-24.78;;;;;;;;;;;;"in-house calculations";"in-house calculations"
"Nitric Acid";MM00675;O=[N+]([O-])O;GRYLNZFGIOXLOG-UHFFFAOYSA-N;63.01;-0.35;944;;;;DOPC;CCM18;25;-1;;;;;;;;;;-25.11;;;;;;;;;;;;"in-house calculations";"in-house calculations"
"Capric Acid";MM00635;CCCCCCCCCC(=O)O;GHVNFZFCNZKVNT-UHFFFAOYSA-N;172.27;3.21;2969;DB03600;DKA;CHEMBL107498;DOPC;CCM18;25;-1;;;;;;;;;;-25.15;;;;;;;;;;;;"in-house calculations";"in-house calculations"
"Oxolinic Acid";MM00677;CCn1cc(C(=O)O)c(=O)c2cc3c(cc21)OCO3;KYGZCKSPAKDVKC-UHFFFAOYSA-N;261.23;1.45;4628;;;;DOPC;CCM18;25;-1;;;;;;;;;;-25.44;;;;;;;;;;;;"in-house calculations";"in-house calculations"
"2-Hydroxyvaleric Acid";MM00600;CCC[C@H](O)C(=O)O;JRHWHSJDIILJAT-BYPYZUCNSA-N;118.13;0.23;98009;;;;DOPC;CCM18;25;-1;;;;;;;;;;-25.59;;;;;;;;;;;;"in-house calculations";"in-house calculations"
"2-Hydroxybutyric Acid";MM00597;CC[C@H](O)C(=O)O;AFENDNXGAFYKQO-VKHMYHEASA-N;104.11;-0.16;11266;;;;DOPC;CCM18;25;-1;;;;;;;;;;-25.61;;;;;;;;;;;;"in-house calculations";"in-house calculations"
"3,4-Dihydroxyphenylacetic Acid";MM00602;O=C(O)Cc1ccc(O)c(O)c1;CFFZDZCDUFSOFZ-UHFFFAOYSA-N;168.15;0.72;547;DB01702;DHY;CHEMBL1284;DOPC;CCM18;25;-1;;;;;;;;;;-25.93;;;;;;;;;;;;"in-house calculations";"in-house calculations"
"Isovaleric Acid";MM00659;CC(C)CC(=O)O;GWYFCOCPABKNJV-UHFFFAOYSA-N;102.13;1.12;10430;DB03750;IVA;CHEMBL568737;DOPC;CCM18;25;-1;;;;;;;;;;-25.96;;;;;;;;;;;;"in-house calculations";"in-house calculations"
"3-Hydroxyphenylacetic Acid";MM00604;O=C(O)Cc1cccc(O)c1;FVMDYYGIDFPZAX-UHFFFAOYSA-N;152.15;1.02;12122;;;190035;DOPC;CCM18;25;-1;;;;;;;;;;-26.04;;;;;;;;;;;;"in-house calculations";"in-house calculations"
"L-Aspartic Acid";MM00745;N[C@@H](CC(=O)O)C(=O)O;CKLJMWTZIZZHCS-REOHCLBHSA-N;133.1;-1.13;5960;DB00128;IAS;CHEMBL274323;DOPC;CCM18;25;-1;;;;;;;;;;-26.09;;;;;;;;;;;;"in-house calculations";"in-house calculations"
"Nalidixic Acid";MM00671;CCn1cc(C(=O)O)c(=O)c2ccc(C)nc21;MHWLWQUZZRMNGJ-UHFFFAOYSA-N;232.24;1.42;4421;DB00779;NIX;CHEMBL5;DOPC;CCM18;25;-1;;;;;;;;;;-26.19;;;;;;;;;;;;"in-house calculations";"in-house calculations"
"Butyric Acid";MM00634;CCCC(=O)O;FERIUCNNQQJTOY-UHFFFAOYSA-N;88.11;0.87;264;DB03568;BUA;CHEMBL14227;DOPC;CCM18;25;-1;;;;;;;;;;-26.27;;;;;;;;;;;;"in-house calculations";"in-house calculations"
"4-Hydroxybenzoic Acid";MM00609;O=C(O)c1ccc(O)cc1;FJKROLUGYXJWQN-UHFFFAOYSA-N;138.12;1.09;135;DB04242;PHB;CHEMBL441343;DOPC;CCM18;25;-1;;;;;;;;;;-26.31;;;;;;;;;;;;"in-house calculations";"in-house calculations"
"Isobutyric Acid";MM00658;CC(C)C(=O)O;KQNPFQTWMSNSAP-UHFFFAOYSA-N;88.11;0.73;6590;DB02531;ALQ;CHEMBL108778;DOPC;CCM18;25;-1;;;;;;;;;;-26.45;;;;;;;;;;;;"in-house calculations";"in-house calculations"
"Formic Acid";MM00649;O=CO;BDAGIHXWWSANSR-UHFFFAOYSA-N;46.03;-0.3;284;DB01942;FMT;CHEMBL116736;DOPC;CCM18;25;-1;;;;;;;;;;-26.46;;;;;;;;;;;;"in-house calculations";"in-house calculations"
"Valproic Acid";MM00711;CCCC(CCC)C(=O)O;NIJJYAXOARWZEE-UHFFFAOYSA-N;144.21;2.29;3121;DB00313;2PP;CHEMBL109;DOPC;CCM18;25;-1;;;;;;;;;;-26.52;;;;;;;;;;;;"in-house calculations";"in-house calculations"
"Octanoic Acid";MM00676;CCCCCCCC(=O)O;WWZKQHOCKIZLMA-UHFFFAOYSA-N;144.21;2.43;379;DB04519;OCA;CHEMBL324846;DOPC;CCM18;25;-1;;;;;;;;;;-26.71;;;;;;;;;;;;"in-house calculations";"in-house calculations"
"Rosmarinic Acid";MM00687;O=C(/C=C/c1ccc(O)c(O)c1)O[C@H](Cc1ccc(O)c(O)c1)C(=O)O;DOUMFZQKYFQNTF-WUTVXBCWSA-N;360.32;1.76;5281792;;;;DOPC;CCM18;25;-1;;;;;;;;;;-26.84;;;;;;;;;;;;"in-house calculations";"in-house calculations"
"Propionic Acid";MM00685;CCC(=O)O;XBDQKXXYIPTUBI-UHFFFAOYSA-N;74.08;0.48;1032;DB03766;PPI;CHEMBL14021;DOPC;CCM18;25;-1;;;;;;;;;;-27;;;;;;;;;;;;"in-house calculations";"in-house calculations"
"Lactic Acid";MM01543;CC(O)C(=O)O;JVTAAEKCZFNVCJ-UHFFFAOYSA-N;90.08;-0.55;612;;;;DOPC;CCM18;25;-1;;;;;;;;;;-27.05;;;;;;;;;;;;"in-house calculations";"in-house calculations"
"Bromoacetic Acid";MM00633;O=C(O)CBr;KDPAWGWELVVRCH-UHFFFAOYSA-N;138.95;0.47;6227;DB02198;BXA;CHEMBL60851;DOPC;CCM18;25;-1;;;;;;;;;;-27.39;;;;;;;;;;;;"in-house calculations";"in-house calculations"
"Acetic Acid";MM00613;CC(=O)O;QTBSBXVTEAMEQO-UHFFFAOYSA-N;60.05;0.09;176;DB03166;ACY;CHEMBL539;DOPC;CCM18;25;-1;;;;;;;;;;-27.48;;;;;;;;;;;;"in-house calculations";"in-house calculations"
"Chloroacetic Acid";MM00032;O=C(O)CCl;FOCAUTSVDIKZOP-UHFFFAOYSA-N;94.5;0.31;300;;;;DOPC;CCM18;25;-1;;;;;;;;;;-27.66;;;;;;;;;;;;"in-house calculations";"in-house calculations"
"Phenylacetic Acid";MM00679;O=C(O)Cc1ccccc1;WLJVXDMOQOGPHL-UHFFFAOYSA-N;136.15;1.31;999;DB09269;PAC;CHEMBL1044;DOPC;CCM18;25;-1;;;;;;;;;;-27.73;;;;;;;;;;;;"in-house calculations";"in-house calculations"
"Pivalic Acid";MM00683;CC(C)(C)C(=O)O;IUGYQRQAERSCNH-UHFFFAOYSA-N;102.13;1.12;6417;;;;DOPC;CCM18;25;-1;;;;;;;;;;-27.73;;;;;;;;;;;;"in-house calculations";"in-house calculations"
"2,4-Dihydroxybenzoic Acid";MM00595;O=C(O)c1ccc(O)cc1O;UIAFKZKHHVMJGS-UHFFFAOYSA-N;154.12;0.8;1491;DB02839;DOB;CHEMBL328910;DOPC;CCM18;25;-1;;;;;;;;;;-27.77;;;;;;;;;;;;"in-house calculations";"in-house calculations"
"L-Glutamic Acid";MM00747;NC(CCC(=O)O)C(=O)O;WHUUTDBJXJRKMK-UHFFFAOYSA-N;147.13;-0.74;33032;DB00142;GGL;CHEMBL575060;DOPC;CCM18;25;-1;;;;;;;;;;-27.8;;;;;;;;;;;;"in-house calculations";"in-house calculations"
"Tiglic Acid";MM00694;"C/C=C(\C)C(=O)O";UIERETOOQGIECD-ONEGZZNKSA-N;100.12;1.04;125468;;;;DOPC;CCM18;25;-1;;;;;;;;;;-27.82;;;;;;;;;;;;"in-house calculations";"in-house calculations"
"4-Methylbenzoic Acid";MM00610;Cc1ccc(C(=O)O)cc1;LPNBBFKOUUSUDB-UHFFFAOYSA-N;136.15;1.69;7470;;;;DOPC;CCM18;25;-1;;;;;;;;;;-28.04;;;;;;;;;;;;"in-house calculations";"in-house calculations"
"Benzoic Acid";MM00630;O=C(O)c1ccccc1;WPYMKLBDIGXBTP-UHFFFAOYSA-N;122.12;1.38;243;DB03793;BEZ;CHEMBL541;DOPC;CCM18;25;-1;;;;;;;;;;-28.15;;;;;;;;;;;;"in-house calculations";"in-house calculations"
"Valeric Acid";MM00710;CCCCC(=O)O;NQPDZGIKBAWPEJ-UHFFFAOYSA-N;102.13;1.26;7991;DB02406;LEA;CHEMBL268736;DOPC;CCM18;25;-1;;;;;;;;;;-28.25;;;;;;;;;;;;"in-house calculations";"in-house calculations"
"Acetylsalicylic Acid";MM00080;CC(=O)Oc1ccccc1C(=O)O;BSYNRYMUTXBXSQ-UHFFFAOYSA-N;180.16;1.31;2244;DB00945;AIN;CHEMBL25;DOPC;CCM18;25;-1;;;;;;;;;;-28.26;;;;;;;;;;;;"in-house calculations";"in-house calculations"
"Caproic Acid";MM00636;CCCCCC(=O)O;FUZZWVXGSFPDMH-UHFFFAOYSA-N;116.16;1.65;8892;;;;DOPC;CCM18;25;-1;;;;;;;;;;-28.33;;;;;;;;;;;;"in-house calculations";"in-house calculations"
11-Dehydrocorticosterone;MM00315;C[C@]12CC(=O)[C@H]3[C@@H](CCC4=CC(=O)CC[C@@]43C)[C@@H]1CC[C@@H]2C(=O)CO;FUFLCEKSBBHCMO-KJQYFISQSA-N;344.45;2.87;5311364;;;;DOPC;CCM18;25;0;;;;;;;;;;-2.33;;;;;;;;;;;;"in-house calculations";"in-house calculations"
Cortexolone;MM00036;C[C@]12CC[C@H]3[C@@H](CCC4=CC(=O)CC[C@@]43C)[C@@H]1CC[C@]2(O)C(=O)CO;WHBHBVVOGNECLV-OBQKJFGGSA-N;346.47;2.81;440707;;;;DOPC;CCM18;25;0;;;;;;;;;;-2.12;;;;;;;;;;;;"in-house calculations";"in-house calculations"
4-Phenylbutylamine;MM00096;NCCCCc1ccccc1;AGNFWIZBEATIAK-UHFFFAOYSA-N;149.24;1.97;83242;DB04311;PBN;CHEMBL79512;DOPC;CCM18;25;0;;;;;;;;;;-0.59;;;;;;;;;;;;"in-house calculations";"in-house calculations"
Acebutolol;MM00437;CCCC(=O)Nc1ccc(OCC(O)CNC(C)C)c(C(C)=O)c1;GOEMGAFJFRBGGG-OAHLLOKOSA-N;336.43;2.37;1978;DB01193;;CHEMBL642;DOPC;CCM18;25;0;;;;;;;;;;-1.24;;;;;;;;;;;;"in-house calculations";"in-house calculations"
Acetaminophen;MM00322;CC(=O)Nc1ccc(O)cc1;RZVAJINKPMORJF-UHFFFAOYSA-N;151.17;1.35;1983;DB00316;TYL;CHEMBL112;DOPC;CCM18;25;0;;;;;;;;;;-3.6;;;;;;;;;;;;"in-house calculations";"in-house calculations"
Acrivastine;MM00715;Cc1ccc(C(=CCN2CCCC2)c2cccc(C=CC(=O)O)n2)cc1;PWACSDKDOHSSQD-IUTFFREVSA-N;348.45;4.02;5284514;DB09488;;CHEMBL1224;DOPC;CCM18;25;0;;;;;;;;;;-0.01;;;;;;;;;;;;"in-house calculations";"in-house calculations"
2-amino-9-(2-hydroxyethoxymethyl)-1H-purin-6-one;MM476464;Nc1nc2c(ncn2COCCO)c(=O)[nH]1;MKUXAQIIEYXACX-UHFFFAOYSA-N;225.21;-1.33;135398513;;;;DOPC;CCM18;25;0;;;;;;;;;;-10.75;;;;;;;;;;;;"in-house calculations";"in-house calculations"
Adenosine;MM00325;Nc1ncnc2c1ncn2[C@@H]1O[C@H](CO)[C@@H](O)[C@H]1O;OIRDTQYFTABQOQ-KQYNXXCUSA-N;267.25;-1.98;60961;DB00640;ADN;CHEMBL477;DOPC;CCM18;25;0;;;;;;;;;;-7.46;;;;;;;;;;;;"in-house calculations";"in-house calculations"
L-Alanine;MM00743;C[C@H](N)C(=O)O;QNAYBMKLOCPYGJ-REOHCLBHSA-N;89.09;-0.58;5950;DB00160;ALA;CHEMBL279597;DOPC;CCM18;25;0;;;;;;;;;;-2.57;;;;;;;;;;;;"in-house calculations";"in-house calculations"
"Methyl 5-(propylsulfinyl)-1h-benzimidazol-2-ylcarbamate";MM00326;CCCSc1ccc2nc(NC(=O)OC)[nH]c2c1;HXHWSAZORRCQMX-UHFFFAOYSA-N;265.34;3.24;2082;DB00518;ALW;CHEMBL1483;DOPC;CCM18;25;0;;;;;;;;;;-0.43;;;;;;;;;;;;"in-house calculations";"in-house calculations"
4-[2-(tert-butylamino)-1-hydroxyethyl]-2-(hydroxymethyl)phenol;MM00438;CC(C)(C)NC[C@@H](O)c1ccc(O)c(CO)c1;NDAUXUAQIAJITI-GFCCVEGCSA-N;239.32;1.31;2083;DB01001;;CHEMBL714;DOPC;CCM18;25;0;;;;;;;;;;-1.18;;;;;;;;;;;;"in-house calculations";"in-house calculations"
Aldosterone;MM00327;CC12CCC(=O)C=C1CCC1C2C(O)CC2(C=O)C(C(=O)CO)CCC12;PQSUYGKTWSAVDQ-ZVIOFETBSA-N;360.45;1.85;5839;DB04630;AS4;CHEMBL273453;DOPC;CCM18;25;0;;;;;;;;;;-2.56;;;;;;;;;;;;"in-house calculations";"in-house calculations"
Alfentanil;MM00439;CCC(=O)N(c1ccccc1)C1(COC)CCN(CCn2nnn(CC)c2=O)CC1;IDBPHNDTYPBSNI-UHFFFAOYSA-N;416.53;1.38;51263;DB00802;;CHEMBL634;DOPC;CCM18;25;0;;;;;;;;;;-2.26;;;;;;;;;;;;"in-house calculations";"in-house calculations"
Alfuzosin;MM00328;COc1cc2nc(N(C)CCCNC(=O)C3CCCO3)nc(N)c2cc1OC;WNMJYKCGWZFFKR-UHFFFAOYSA-N;389.46;1.35;2092;DB00346;;CHEMBL709;DOPC;CCM18;25;0;;;;;;;;;;-1.76;;;;;;;;;;;;"in-house calculations";"in-house calculations"
Alprazolam;MM00329;Cc1nnc2n1-c1ccc(Cl)cc1C(c1ccccc1)=NC2;IYQBGWNRKQNSIE-LQAWEQHXSA-N;314.82;2.62;2118;DB00404;08H;CHEMBL661;DOPC;CCM18;25;0;;;;;;;;;;-0.85;;;;;;;;;;;;"in-house calculations";"in-house calculations"
Alprenolol;MM00440;C=CCc1ccccc1OCC(O)CNC(C)C;PAZJSJFMUHDSTF-CQSZACIVSA-N;249.35;2.15;2119;DB00866;;CHEMBL266195;DOPC;CCM18;25;0;;;;;;;;;;-0.89;;;;;;;;;;;;"in-house calculations";"in-house calculations"
Adamantan-1-amine;MM00441;N[C@]12C[C@H]3C[C@H](C[C@H](C3)C1)C2;DKNWSYNQZKUICI-CHIWXEEVSA-N;151.25;1.91;2130;DB00915;;CHEMBL660;DOPC;CCM18;25;0;;;;;;;;;;-0.14;;;;;;;;;;;;"in-house calculations";"in-house calculations"
Amiloride;MM00267;N=C(N)NC(=O)c1nc(Cl)c(N)nc1N;XSDQTOBWRPYKKA-UHFFFAOYSA-N;229.63;-1.08;16231;DB00594;AMR;CHEMBL945;DOPC;CCM18;25;0;;;;;;;;;;-7.01;;;;;;;;;;;;"in-house calculations";"in-house calculations"
3-(4-aminophenyl)-3-ethylpiperidine-2,6-dione;MM00330;CC[C@@]1(c2ccc(N)cc2)CCC(=O)NC1=O;ROBVIMPUHSLWNV-ZDUSSCGKSA-N;232.28;1.35;2145;DB00357;;CHEMBL488;DOPC;CCM18;25;0;;;;;;;;;;-2.08;;;;;;;;;;;;"in-house calculations";"in-house calculations"
Aminoguanidine;MM00442;NN=C(N)N;HAMNKKUPIHEESI-UHFFFAOYSA-N;74.09;-1.87;2146;DB05383;AGU;CHEMBL225304;DOPC;CCM18;25;0;;;;;;;;;;-7.12;;;;;;;;;;;;"in-house calculations";"in-house calculations"
4-(dimethylamino)-1,5-dimethyl-2-phenylpyrazol-3-one;MM00331;Cc1c(N(C)C)c(=O)n(-c2ccccc2)n1C;RMMXTBMQSGEXHJ-UHFFFAOYSA-N;231.3;1.55;6009;DB01424;;CHEMBL288470;DOPC;CCM18;25;0;;;;;;;;;;-0.82;;;;;;;;;;;;"in-house calculations";"in-house calculations"
Amitriptyline;MM00444;CN(C)CCC=C1c2ccccc2CCc2ccccc21;KRMDCWKBEZIMAB-UHFFFAOYSA-N;277.41;4.17;2160;DB00321;TP0;CHEMBL629;DOPC;CCM18;25;0;;;;;;;;;;-0.88;;;;;;;;;;;;"in-house calculations";"in-house calculations"
Amlodipine;MM00098;CCOC(=O)C1=C(COCCN)NC(C)=C(C(=O)OC)[C@H]1c1ccccc1Cl;HTIQEAQVCYTUBX-QGZVFWFLSA-N;408.88;2.27;2162;DB00381;;CHEMBL1491;DOPC;CCM18;25;0;;;;;;;;3.21;;-1.98;;;;;;;;;;;;"in-house calculations";"in-house calculations"
4-[(7-chloroquinolin-4-yl)amino]-2-(diethylaminomethyl)phenol;MM00446;CCN(CC)Cc1cc(Nc2ccnc3cc(Cl)ccc23)ccc1O;OVCDSSHSILBFBN-UHFFFAOYSA-N;355.87;5.18;2165;DB00613;CQA;CHEMBL682;DOPC;CCM18;25;0;;;;;;;;;;-0.35;;;;;;;;;;;;"in-house calculations";"in-house calculations"
8-chloro-6-piperazin-1-ylbenzo[b][1,4]benzoxazepine;MM00447;Clc1ccc2c(c1)C(N1CCNCC1)=Nc1ccccc1O2;QWGDMFLQWFTERH-UHFFFAOYSA-N;313.79;3.43;2170;DB00543;;CHEMBL1113;DOPC;CCM18;25;0;;;;;;;;;;-0.94;;;;;;;;;;;;"in-house calculations";"in-house calculations"
Amoxicillin;MM00716;CC1(C)S[C@@H]2[C@H](NC(=O)[C@H](N)c3ccc(O)cc3)C(=O)N2[C@H]1C(=O)O;LSQZJLSUYDQPKJ-NJBDSQKTSA-N;365.41;0.02;33613;DB01060;;CHEMBL1082;DOPC;CCM18;25;0;;;;;;;;;;-6.1;;;;;;;;;;;;"in-house calculations";"in-house calculations"
Ampicillin;MM00627;CC1(C)S[C@@H]2[C@H](NC(=O)[C@H](N)c3ccccc3)C(=O)N2[C@H]1C(=O)O;AVKUERGKIZMTKX-NJBDSQKTSA-N;349.41;0.32;6249;DB00415;AIC;CHEMBL174;DOPC;CCM18;25;0;;;;;;;;;;-2.7;;;;;;;;;;;;"in-house calculations";"in-house calculations"
Amprenavir;MM00332;CC(C)CN(CC(O)C(Cc1ccccc1)NC(=O)OC1CCOC1)S(=O)(=O)c1ccc(N)cc1;YMARZQAQMVYCKC-OEMFJLHTSA-N;505.64;2.4;65016;DB00701;478;CHEMBL116;DOPC;CCM18;25;0;;;;;;;;;;-1.3;;;;;;;;;;;;"in-house calculations";"in-house calculations"
Aniline;MM00039;Nc1ccccc1;PAYRUJLWNCNPSJ-UHFFFAOYSA-N;93.13;1.27;6115;DB06728;ANL;CHEMBL538;DOPC;CCM18;25;0;;;;;;;;;;-1.13;;;;;;;;;;;;"in-house calculations";"in-house calculations"
Antipyrine;MM00333;Cc1cc(=O)n(-c2ccccc2)n1C;VEQOALNAAJBPNY-UHFFFAOYSA-N;188.23;1.48;2206;DB01435;;CHEMBL277474;DOPC;CCM18;25;0;;;;;;;;;;-1.16;;;;;;;;;;;;"in-house calculations";"in-house calculations"
(3R,4S,5S)-oxane-2,3,4,5-tetrol;MM00334;OC1OC[C@H](O)[C@H](O)[C@H]1O;SRBFZHDQGSBBOR-HWQSCIPKSA-N;150.13;-2.58;439195;;;;DOPC;CCM18;25;0;;;;;;;;;;-7.17;;;;;;;;;;;;"in-house calculations";"in-house calculations"
L-Arginine;MM00744;NC(N)=NCCC[C@H](N)C(=O)O;ODKSFYDXXFIFQN-BYPYZUCNSA-N;174.2;-1.55;6322;DB00125;ARG;CHEMBL1485;DOPC;CCM18;25;0;;;;;;;;;;-7.26;;;;;;;;;;;;"in-house calculations";"in-house calculations"
Astemizole;MM00448;COc1ccc(CCN2CCC(Nc3nc4ccccc4n3Cc3ccc(F)cc3)CC2)cc1;GXDALQBWZGODGZ-UHFFFAOYSA-N;458.58;5.35;2247;DB00637;;CHEMBL296419;DOPC;CCM18;25;0;;;;;;;;;;-1.05;;;;;;;;;;;;"in-house calculations";"in-house calculations"
Atenolol;MM00078;CC(C)NCC(O)COc1ccc(CC(N)=O)cc1;METKIMKYRPQLGS-GFCCVEGCSA-N;266.34;0.45;2249;DB00335;;CHEMBL24;DOPC;CCM18;25;0;;;;;;;;;;-2.78;;;;;;;;;;;;"in-house calculations";"in-house calculations"
Atomoxetine;MM00449;CNCCC(Oc1ccccc1C)c1ccccc1;VHGCDTVCOLNTBX-QGZVFWFLSA-N;255.36;3.72;54841;DB00289;;CHEMBL641;DOPC;CCM18;25;0;;;;;;;;;;-0.82;;;;;;;;;;;;"in-house calculations";"in-house calculations"
MM476465;MM476465;CCC1OC(=O)C(C)C(OC2CC(C)(OC)C(O)C(C)O2)C(C)C(OC2OC(C)CC(N(C)C)C2O)C(C)(O)CC(C)CN(C)C(C)C(O)C1(C)O;MQTOSJVFKKJCRP-BICOPXKESA-N;749;1.9;447043;;;CHEMBL529;DOPC;CCM18;25;0;;;;;;;;;;-3.5;;;;;;;;;;;;"in-house calculations";"in-house calculations"
Beclomethasone;MM00335;C[C@H]1C[C@H]2[C@@H]3CCC4=CC(=O)C=C[C@]4(C)[C@@]3(Cl)[C@@H](O)C[C@]2(C)[C@@]1(O)C(=O)CO;NBMKJKDGKREAPL-DVTGEIKXSA-N;408.92;2.17;20469;;;;DOPC;CCM18;25;0;;;;;;;;;;-2.36;;;;;;;;;;;;"in-house calculations";"in-house calculations"
Benazepril;MM00629;CCOC(=O)[C@H](CCc1ccccc1)N[C@H]1CCc2ccccc2N(CC(=O)O)C1=O;XPCFTKFZXHTYIP-PMACEKPBSA-N;424.5;2.57;5362124;DB00542;;CHEMBL838;DOPC;CCM18;25;0;;;;;;;;;;-0.96;;;;;;;;;;;;"in-house calculations";"in-house calculations"
Bendroflumethiazide;MM00336;NS(=O)(=O)c1cc2c(cc1C(F)(F)F)N[C@@H](Cc1ccccc1)NS2(=O)=O;HDWIHXWEUNVBIY-CQSZACIVSA-N;421.42;1.63;2315;DB00436;;CHEMBL1684;DOPC;CCM18;25;0;;;;;;;;;;-2.92;;;;;;;;;;;;"in-house calculations";"in-house calculations"
2-amino-3-hydroxy-N'-[(2,3,4-trihydroxyphenyl)methyl]propanehydrazide;MM00337;NC(CO)C(=O)NNCc1ccc(O)c(O)c1O;BNQDCRGUHNALGH-UHFFFAOYSA-N;257.25;-1.76;2327;DB12783;;CHEMBL1096979;DOPC;CCM18;25;0;;;;;;;;;;-9.19;;;;;;;;;;;;"in-house calculations";"in-house calculations"
3-(benzylsulfanylmethyl)-6-chloro-1,1-dioxo-4H-1lambda6,2,4-benzothiadiazine-7-sulfonamide;MM00631;NS(=O)(=O)c1cc2c(cc1Cl)N[C@H](CSCc1ccccc1)NS2(=O)=O;ZUNJWRJEKCRIMZ-HNNXBMFYSA-N;433.96;1.95;2343;DB00562;;CHEMBL1201039;DOPC;CCM18;25;0;;;;;;;;;;-5.65;;;;;;;;;;;;"in-house calculations";"in-house calculations"
"1-isobutoxy-2-pyrrolidino-3[n-benzylanilino] propane";MM00451;CC(C)COC[C@@H](CN(Cc1ccccc1)c1ccccc1)N1CCCC1;UIEATEWHFDRYRU-XMMPIXPASA-N;366.55;4.83;2351;DB01244;BEP;CHEMBL1008;DOPC;CCM18;25;0;;;;;;;;;;-1.59;;;;;;;;;;;;"in-house calculations";"in-house calculations"
Bremazocine;MM00452;CC[C@]12CCN(CC3(O)CC3)[C@H](Cc3ccc(O)cc31)C2(C)C;ZDXGFIXMPOUDFF-XLIONFOSSA-N;315.46;3.22;443406;;;;DOPC;CCM18;25;0;;;;;;;;;;-1.31;;;;;;;;;;;;"in-house calculations";"in-house calculations"
Bromocriptine;MM00338;CC(C)C[C@H]1C(=O)N2CCC[C@H]2[C@]2(O)O[C@](NC(=O)[C@@H]3C=C4c5cccc6[nH]c(Br)c(c56)C[C@H]4N(C)C3)(C(C)C)C(=O)N12;OZVBMTJYIDMWIL-AYFBDAFISA-N;654.61;3.19;31101;DB01200;08Y;CHEMBL493;DOPC;CCM18;25;0;;;;;;;;;;-1.49;;;;;;;;;;;;"in-house calculations";"in-house calculations"
3-(4-bromophenyl)-N,N-dimethyl-3-pyridin-2-ylpropan-1-amine;MM00453;CN(C)CC[C@@H](c1ccc(Br)cc1)c1ccccn1;ZDIGNSYAACHWNL-HNNXBMFYSA-N;319.25;3.93;6834;DB00835;;CHEMBL811;DOPC;CCM18;25;0;;;;;;;;;;-1.1;;;;;;;;;;;;"in-house calculations";"in-house calculations"
Budesonide;MM00339;CCC[C@@H]1O[C@@H]2C[C@H]3[C@@H]4CCC5=CC(=O)C=C[C@]5(C)[C@H]4[C@@H](O)C[C@]3(C)[C@]2(C(=O)CO)O1;VOVIALXJUBGFJZ-VXKMTNQYSA-N;430.54;2.72;5281004;DB01222;;CHEMBL1370;DOPC;CCM18;25;0;;;;;;;;;;-2.74;;;;;;;;;;;;"in-house calculations";"in-house calculations"
1-butyl-N-(2,6-dimethylphenyl)piperidine-2-carboxamide;MM00454;CCCCN1CCCC[C@H]1C(=O)Nc1c(C)cccc1C;LEBVLXFERQHONN-INIZCTEOSA-N;288.44;3.9;2474;DB00297;;CHEMBL1098;DOPC;CCM18;25;0;;;;;;;;;;-0.79;;;;;;;;;;;;"in-house calculations";"in-house calculations"
Bupropion;MM00455;CC(NC(C)(C)C)C(=O)c1cccc(Cl)c1;SNPPWIUOZRMYNY-VIFPVBQESA-N;239.75;3.3;444;DB01156;;CHEMBL894;DOPC;CCM18;25;0;;;;;;;;;;-0.96;;;;;;;;;;;;"in-house calculations";"in-house calculations"
8-[4-(4-pyrimidin-2-ylpiperazin-1-yl)butyl]-8-azaspiro[4.5]decane-7,9-dione;MM00456;O=C1CC2(CCCC2)CC(=O)N1CCCCN1CCN(c2ncccn2)CC1;QWCRAEMEVRGPNT-UHFFFAOYSA-N;385.51;2.09;2477;DB00490;;CHEMBL49;DOPC;CCM18;25;0;;;;;;;;3.96;;-1.55;;;;;;;;;;;;"in-house calculations";"in-house calculations"
"3-(dibutylamino)propyl 4-aminobenzoate";MM00457;CCCCN(CCCC)CCCOC(=O)c1ccc(N)cc1;HQFWVSGBVLEQGA-UHFFFAOYSA-N;306.45;3.72;2480;;;;DOPC;CCM18;25;0;;;;;;;;;;0.45;;;;;;;;;;;;"in-house calculations";"in-house calculations"
1-Butylamine;MM00435;CCCCN;HQABUPZFAYXKJW-UHFFFAOYSA-N;73.14;0.75;8007;DB03659;LYT;CHEMBL13968;DOPC;CCM18;25;0;;;;;;;;;;-1.12;;;;;;;;;;;;"in-house calculations";"in-house calculations"
Caffeine;MM00040;Cn1c(=O)c2c(ncn2C)n(C)c1=O;RYYVLZVUVIJVGH-UHFFFAOYSA-N;194.19;-1.03;2519;DB00201;CFF;CHEMBL113;DOPC;CCM18;25;0;;;;;;;;;;-2.54;;;;;;;;;;;;"in-house calculations";"in-house calculations"
Carbamazepine;MM00341;NC(=O)N1c2ccccc2C=Cc2ccccc21;FFGPTBGBLSHEPO-UHFFFAOYSA-N;236.27;3.39;2554;DB00564;;CHEMBL108;DOPC;CCM18;25;0;;;;;;;;;;-0.41;;;;;;;;;;;;"in-house calculations";"in-house calculations"
1-(9H-carbazol-4-yloxy)-3-[2-(2-methoxyphenoxy)ethylamino]propan-2-ol;MM00458;COc1ccccc1OCCNCC(O)COc1cccc2[nH]c3ccccc3c12;OGHNVEJMJSYVRP-UHFFFAOYSA-N;406.48;3.74;2585;DB01136;;CHEMBL723;DOPC;CCM18;25;0;;;;;;;;;;-0.52;;;;;;;;;;;;"in-house calculations";"in-house calculations"
Cefaclor;MM00717;NC(C(=O)NC1C(=O)N2C(C(=O)O)=C(Cl)CSC12)c1ccccc1;QYIYFLOTGYLRGG-UHFFFAOYSA-N;367.81;0.62;51039;DB00833;;CHEMBL680;DOPC;CCM18;25;0;;;;;;;;;;-2.55;;;;;;;;;;;;"in-house calculations";"in-house calculations"
Cefadroxil;MM00718;CC1=C(C(=O)O)N2C(=O)C(NC(=O)C(N)c3ccc(O)cc3)C2SC1;BOEGTKLJZSQCCD-UHFFFAOYSA-N;363.4;0.15;47965;DB01140;;CHEMBL1644;DOPC;CCM18;25;0;;;;;;;;;;-8.49;;;;;;;;;;;;"in-house calculations";"in-house calculations"
Cefatrizine;MM00719;NC(C(=O)NC1C(=O)N2C(C(=O)O)=C(CSc3cn[nH]n3)CSC12)c1ccc(O)cc1;UOCJDOLVGGIYIQ-PBFPGSCMSA-N;462.51;0.04;6410758;;;CHEMBL1095284;DOPC;CCM18;25;0;;;;;;;;;;-9.93;;;;;;;;;;;;"in-house calculations";"in-house calculations"
Ceftibuten;MM00637;Nc1nc(C(=CCC(=O)O)C(=O)NC2C(=O)N3C(C(=O)O)=CCSC23)cs1;UNJFKXSSGBWRBZ-UHFFFAOYSA-N;410.43;-0.05;5282242;DB01415;;CHEMBL1605;DOPC;CCM18;25;0;;;;;;;;;;-8.42;;;;;;;;;;;;"in-house calculations";"in-house calculations"
Cephalexin;MM00721;CC1=C(C(=O)O)N2C(=O)C(NC(=O)C(N)c3ccccc3)C2SC1;ZAIPMKNFIOOWCQ-UHFFFAOYSA-N;347.4;0.44;27447;DB00567;;CHEMBL1727;DOPC;CCM18;25;0;;;;;;;;;;-6.38;;;;;;;;;;;;"in-house calculations";"in-house calculations"
Cephaloglycin;MM00722;CC(=O)OCC1=C(C(=O)O)N2C(=O)[C@@H](NC(=O)[C@H](N)c3ccccc3)[C@H]2SC1;FUBBGQLTSCSAON-PBFPGSCMSA-N;405.43;-0.01;19150;DB00689;;CHEMBL1200971;DOPC;CCM18;25;0;;;;;;;;;;-4.75;;;;;;;;;;;;"in-house calculations";"in-house calculations"
Cephradine;MM00723;CC1=C(C(=O)O)N2C(=O)C(NC(=O)C(N)C3=CCC=CC3)C2SC1;RDLPVSKMFDYCOR-UHFFFAOYSA-N;349.41;0.35;38103;DB01333;;CHEMBL1604;DOPC;CCM18;25;0;;;;;;;;;;-5.16;;;;;;;;;;;;"in-house calculations";"in-house calculations"
Cerivastatin;MM00639;COCc1c(C(C)C)nc(C(C)C)c(C=CC(O)CC(O)CC(=O)O)c1-c1ccc(F)cc1;SEERZIQQUAZTOL-UHFFFAOYSA-N;459.56;4.88;446156;DB00439;116;CHEMBL1477;DOPC;CCM18;25;0;;;;;;;;;;-0.62;;;;;;;;;;;;"in-house calculations";"in-house calculations"
Cetirizine;MM00724;O=C(O)COCCN1CCN(C(c2ccccc2)c2ccc(Cl)cc2)CC1;ZKLPARSLTMPFCP-UHFFFAOYSA-N;388.9;3.15;2678;DB00341;;;DOPC;CCM18;25;0;;;;;;;;;;-0.71;;;;;;;;;;;;"in-house calculations";"in-house calculations"
Chlorambucil;MM00640;O=C(O)CCCc1ccc(N(CCCl)CCCl)cc1;JCKYGMPEJWAADB-UHFFFAOYSA-N;304.22;3.38;2708;DB00291;CBL;CHEMBL515;DOPC;CCM18;25;0;;;;;;;;;;-0.27;;;;;;;;;;;;"in-house calculations";"in-house calculations"
Chloramphenicol;MM00342;O=C(NC(CO)C(O)c1ccc([N+](=O)[O-])cc1)C(Cl)Cl;WIIZWVCIJKGZOK-UHFFFAOYSA-N;323.13;0.91;5959;DB00446;CLM;CHEMBL130;DOPC;CCM18;25;0;;;;;;;;;;-1.84;;;;;;;;;;;;"in-house calculations";"in-house calculations"
N4-(7-chloro-quinolin-4-yl)-n1,n1-diethyl-pentane-1,4-diamine;MM00459;CCN(CC)CCCC(C)Nc1ccnc2cc(Cl)ccc12;WHTVZRBIWZFKQO-UHFFFAOYSA-N;319.88;4.81;2719;DB00608;CLQ;CHEMBL76;DOPC;CCM18;25;0;;;;;;;;;;-0.68;;;;;;;;;;;;"in-house calculations";"in-house calculations"
Chlorothiazide;MM00641;NS(=O)(=O)c1cc2c(cc1Cl)NC=NS2(=O)=O;JBMKAUGHUNFTOL-UHFFFAOYSA-N;295.73;0.13;2720;DB00880;;CHEMBL842;DOPC;CCM18;25;0;;;;;;;;;;-7.94;;;;;;;;;;;;"in-house calculations";"in-house calculations"
Chlorpheniramine;MM00460;CN(C)CCC(c1ccc(Cl)cc1)c1ccccn1;SOYKEARSMXGVTM-UHFFFAOYSA-N;274.8;3.82;2725;DB01114;;CHEMBL505;DOPC;CCM18;25;0;;;;;;;;;;-1.07;;;;;;;;;;;;"in-house calculations";"in-house calculations"
(3Z)-3-(2-chlorothioxanthen-9-ylidene)-N,N-dimethylpropan-1-amine;MM00462;CN(C)CCC=C1c2ccccc2Sc2ccc(Cl)cc21;WSPOMRSOLSGNFJ-UHFFFAOYSA-N;315.87;5.19;667467;DB01239;;CHEMBL90125;DOPC;CCM18;25;0;;;;;;;;;;-0.86;;;;;;;;;;;;"in-house calculations";"in-house calculations"
Chlortetracycline;MM00725;CN(C)C1C(=O)C(C(N)=O)=C(O)C2(O)C(=O)C3=C(O)c4c(O)ccc(Cl)c4C(C)(O)C3CC12;DHPRQBPJLMKORJ-XRNKAMNCSA-N;478.89;0.28;54675777;DB09093;CTC;CHEMBL404520;DOPC;CCM18;25;0;;;;;;;;;;-3.22;;;;;;;;;;;;"in-house calculations";"in-house calculations"
Chlorthalidone;MM00343;NS(=O)(=O)c1cc(C2(O)NC(=O)c3ccccc32)ccc1Cl;JIVPVXMEBJLZRO-UHFFFAOYSA-N;338.77;0.92;2732;DB00310;;CHEMBL1055;DOPC;CCM18;25;0;;;;;;;;;;-9.22;;;;;;;;;;;;"in-house calculations";"in-house calculations"
Cimetidine;MM00463;CN=C(NC#N)NCCSCc1nc[nH]c1C;AQIXAKUUQRKLND-UHFFFAOYSA-N;252.35;0.6;2756;DB00501;;CHEMBL30;DOPC;CCM18;25;0;;;;;;;;;;-4.14;;;;;;;;;;;;"in-house calculations";"in-house calculations"
1-benzhydryl-4-[(E)-3-phenylprop-2-enyl]piperazine;MM00464;C(=Cc1ccccc1)CN1CCN(C(c2ccccc2)c2ccccc2)CC1;DERZBLKQOCDDDZ-UHFFFAOYSA-N;368.52;5.11;1547484;DB00568;;CHEMBL43064;DOPC;CCM18;25;0;;;;;;;;;;-0.78;;;;;;;;;;;;"in-house calculations";"in-house calculations"
Ciprofloxacin;MM00726;O=C(O)c1cn(C2CC2)c2cc(N3CCNCC3)c(F)cc2c1=O;MYSWGUAQZAJSOK-UHFFFAOYSA-N;331.35;1.58;2764;DB00537;CPF;CHEMBL8;DOPC;CCM18;25;0;;;;;;;;;;-1.97;;;;;;;;;;;;"in-house calculations";"in-house calculations"
1-[3-(dimethylamino)propyl]-1-(4-fluorophenyl)-3H-2-benzofuran-5-carbonitrile;MM00465;CN(C)CCCC1(c2ccc(F)cc2)OCc2cc(C#N)ccc21;WSEQXVZVJXJVFP-UHFFFAOYSA-N;324.4;3.81;2771;DB00215;;CHEMBL549;DOPC;CCM18;25;0;;;;;;;;;;-1.57;;;;;;;;;;;;"in-house calculations";"in-house calculations"
(2R)-2-[2-[(1R)-1-(4-chlorophenyl)-1-phenylethoxy]ethyl]-1-methylpyrrolidine;MM00466;CN1CCCC1CCOC(C)(c1ccccc1)c1ccc(Cl)cc1;YNNUSGIPVFPVBX-UHFFFAOYSA-N;343.9;5.1;26987;DB00283;;CHEMBL1626;DOPC;CCM18;25;0;;;;;;;;;;-1.39;;;;;;;;;;;;"in-house calculations";"in-house calculations"
Clonidine;MM00344;Clc1cccc(Cl)c1NC1=NCCN1;GJSURZIOUXUGAL-UHFFFAOYSA-N;230.1;2.17;2803;DB00575;CLU;CHEMBL134;DOPC;CCM18;25;0;;;;;;;;;;-0.58;;;;;;;;;;;;"in-house calculations";"in-house calculations"
1-[(2-chlorophenyl)-diphenylmethyl]imidazole;MM00468;Clc1ccccc1C(c1ccccc1)(c1ccccc1)n1ccnc1;VNFPBHJOKIVQEB-UHFFFAOYSA-N;344.85;5.38;2812;DB00257;CL6;CHEMBL104;DOPC;CCM18;25;0;;;;;;;;;;-0.49;;;;;;;;;;;;"in-house calculations";"in-house calculations"
3-chloro-6-(4-methylpiperazin-1-yl)-11H-benzo[b][1,4]benzodiazepine;MM476466;CN1CCN(C2=Nc3cc(Cl)ccc3Nc3ccccc32)CC1;QZUDBNBUXVUHMW-UHFFFAOYSA-N;326.83;3.72;135398737;;;;DOPC;CCM18;25;0;;;;;;;;;;-1.13;;;;;;;;;;;;"in-house calculations";"in-house calculations"
Colchicine;MM00345;COc1cc2c(c(OC)c1OC)-c1ccc(OC)c(=O)cc1C(NC(C)=O)CC2;IAKHMKGGTNLKSZ-UHFFFAOYSA-N;399.44;2.87;6167;DB01394;LOC;CHEMBL87;DOPC;CCM18;25;0;;;;;;;;;;-2.18;;;;;;;;;;;;"in-house calculations";"in-house calculations"
Corticosterone;MM00346;CC12CCC(=O)C=C1CCC1C2C(O)CC2(C)C(C(=O)CO)CCC12;OMFXVFTZEKFJBZ-UHFFFAOYSA-N;346.47;2.67;5753;DB04652;C0R;CHEMBL110739;DOPC;CCM18;25;0;;;;;;;;;;-2.42;;;;;;;;;;;;"in-house calculations";"in-house calculations"
Cortisone;MM00347;CC12CCC(O)C=C1CCC1C2C(=O)CC2(C)C1CCC2(O)C(=O)CO;LPYXTAPPNYMYOP-UHFFFAOYSA-N;362.47;1.78;222786;;;;DOPC;CCM18;25;0;;;;;;;;;;-2.35;;;;;;;;;;;;"in-house calculations";"in-house calculations"
CP-141938;MM00471;COc1ccc(N(C)S(C)(=O)=O)cc1CNC1CCCNC1c1ccccc1;GZLOIBNBDUHEFY-UHFFFAOYSA-N;403.55;2.67;10363809;;;;DOPC;CCM18;25;0;;;;;;;;;;-1.47;;;;;;;;;;;;"in-house calculations";"in-house calculations"
Danazol;MM00353;C#C[C@]1(O)CC[C@H]2[C@@H]3CCC4=Cc5oncc5C[C@]4(C)[C@H]3CC[C@@]21C;POZRVZJJTULAOH-LHZXLZLDSA-N;337.46;4.22;28417;DB01406;;CHEMBL1479;DOPC;CCM18;25;0;;;;;;;;;;-1.18;;;;;;;;;;;;"in-house calculations";"in-house calculations"
Daunorubicin;MM00473;COc1cccc2c1C(=O)c1c(O)c3c(c(O)c1C2=O)CC(O)(C(C)=O)CC3OC1CC(N)C(O)C(C)O1;STQGQHZAVUOBTE-UHFFFAOYSA-N;527.53;1.03;30323;DB00694;DM1;CHEMBL178;DOPC;CCM18;25;0;;;;;;;;;;-2.02;;;;;;;;;;;;"in-house calculations";"in-house calculations"
Cortexone;MM00037;CC12CCC(=O)C=C1CCC1C2CCC2(C)C(C(=O)CO)CCC12;ZESRJSPZRDMNHY-UHFFFAOYSA-N;330.47;3.7;6166;;;;DOPC;CCM18;25;0;;;;;;;;;;-2.29;;;;;;;;;;;;"in-house calculations";"in-house calculations"
Desipramine;MM00474;CNCCCN1c2ccccc2CCc2ccccc21;HCYAFALTSJYZDH-UHFFFAOYSA-N;266.39;3.53;2995;DB01151;DSM;CHEMBL72;DOPC;CCM18;25;0;;;;;;;;;;-0.79;;;;;;;;;;;;"in-house calculations";"in-house calculations"
Dexamethasone;MM00355;C[C@@H]1C[C@H]2[C@@H]3CCC4=CC(=O)C=C[C@]4(C)[C@@]3(F)[C@@H](O)C[C@]2(C)[C@@]1(O)C(=O)CO;UREBDLICKHMUKA-CXSFZGCWSA-N;392.47;1.9;5743;DB01234;DEX;CHEMBL384467;DOPC;CCM18;25;0;;;;;;;;;;-2.25;;;;;;;;;;;;"in-house calculations";"in-house calculations"
Dextromethorphan;MM00475;COc1ccc2c(c1)C13CCCCC1C(C2)N(C)CC3;MKXZASYAUGDDCJ-UHFFFAOYSA-N;271.4;3.38;5360696;DB00514;;CHEMBL52440;DOPC;CCM18;25;0;;;;;;;;;;-1.32;;;;;;;;;;;;"in-house calculations";"in-house calculations"
(1S,9S,10S)-17-methyl-17-azatetracyclo[7.5.3.01,10.02,7]heptadeca-2(7),3,5-trien-4-ol;MM00476;CN1CC[C@@]23CCCC[C@@H]2[C@@H]1Cc1ccc(O)cc13;JAQUASYNZVUNQP-PVAVHDDUSA-N;257.38;3.08;5360697;;;;DOPC;CCM18;25;0;;;;;;;;;;-0.66;;;;;;;;;;;;"in-house calculations";"in-house calculations"
(1S,2R)-1-[(2S)-oxiran-2-yl]-2-[(2R)-oxiran-2-yl]ethane-1,2-diol;MM476467;O[C@H]([C@H](O)[C@@H]1CO1)[C@H]1CO1;AAFJXZWCNVJTMK-GUCUJZIJSA-N;146.14;-1.49;15942827;;;;DOPC;CCM18;25;0;;;;;;;;;;-4.81;;;;;;;;;;;;"in-house calculations";"in-house calculations"
Diazepam;MM00094;CN1C(=O)CN=C(c2ccccc2)c2cc(Cl)ccc21;AAOVKJBEBIDNHE-UHFFFAOYSA-N;284.75;3.15;3016;DB00829;DZP;CHEMBL12;DOPC;CCM18;25;0;;;;;;;;;;-0.73;;;;;;;;;;;;"in-house calculations";"in-house calculations"
Diclofenac;MM00090;O=C(O)Cc1ccccc1Nc1c(Cl)cccc1Cl;DCOPUUMXTXDBNB-UHFFFAOYSA-N;296.15;4.36;3033;DB00586;DIF;CHEMBL139;DOPC;CCM18;25;0;;;;;;;;;;0.02;;;;;;;;;;;;"in-house calculations";"in-house calculations"
Digoxin;MM00357;CC1OC(OC2C(O)CC(OC3C(O)CC(OC4CCC5(C)C(CCC6C5CC(O)C5(C)C(C7=CC(=O)OC7)CCC65O)C4)OC3C)OC2C)CC(O)C1O;LTMHDMANZUZIPE-UHFFFAOYSA-N;780.95;2.22;2724385;DB00390;DGX;CHEMBL1751;DOPC;CCM18;25;0;;;;;;;;;;-4.19;;;;;;;;;;;;"in-house calculations";"in-house calculations"
Diltiazem;MM00477;COc1ccc(C2Sc3ccccc3N(CCN(C)C)C(=O)C2OC(C)=O)cc1;HSUGRBWQSSZJOP-UHFFFAOYSA-N;414.53;3.37;39186;DB00343;;CHEMBL23;DOPC;CCM18;25;0;;;;;;;;;;-1.49;;;;;;;;;;;;"in-house calculations";"in-house calculations"
Diphenhydramine;MM00478;CN(C)CCOC(c1ccccc1)c1ccccc1;ZZVUWRFHKOJYTH-UHFFFAOYSA-N;255.36;3.35;3100;DB01075;2PM;CHEMBL657;DOPC;CCM18;25;0;;;;;;;;;;-1.02;;;;;;;;;;;;"in-house calculations";"in-house calculations"
Dipyridamole;MM00479;OCCN(CCO)c1nc(N2CCCCC2)c2nc(N(CCO)CCO)nc(N3CCCCC3)c2n1;IZEKFCXSFNUWAM-UHFFFAOYSA-N;504.64;-0.02;3108;DB00975;;CHEMBL932;DOPC;CCM18;25;0;;;;;;;;;;-2.75;;;;;;;;;;;;"in-house calculations";"in-house calculations"
4-[di(propan-2-yl)amino]-2-phenyl-2-pyridin-2-ylbutanamide;MM00480;CC(C)N(CCC(C(N)=O)(c1ccccc1)c1ccccn1)C(C)C;UVTNFZQICZKOEM-UHFFFAOYSA-N;339.48;3.36;3114;DB00280;;CHEMBL517;DOPC;CCM18;25;0;;;;;;;;;;-0.63;;;;;;;;;;;;"in-house calculations";"in-house calculations"
Donepezil;MM00482;COc1cc2c(cc1OC)C(=O)C(CC1CCN(Cc3ccccc3)CC1)C2;ADEBPBSSDYVVLD-UHFFFAOYSA-N;379.5;4.36;3152;DB00843;;CHEMBL502;DOPC;CCM18;25;0;;;;;;;;;;-1.03;;;;;;;;;;;;"in-house calculations";"in-house calculations"
L-dopamine;MM00483;NCCc1ccc(O)c(O)c1;VYFYYTLLBUKUHU-UHFFFAOYSA-N;153.18;0.6;681;DB00988;LDP;CHEMBL59;DOPC;CCM18;25;0;;;;;;;;;;-2.52;;;;;;;;;;;;"in-house calculations";"in-house calculations"
(3Z)-3-(dibenzo[b,e]oxepin-11(6H)-ylidene)-N,N-dimethylpropan-1-amine;MM00484;CN(C)CCC=C1c2ccccc2COc2ccccc21;ODQWQRRAPPTVAG-UHFFFAOYSA-N;279.38;3.96;667477;DB01142;D7V;CHEMBL101740;DOPC;CCM18;25;0;;;;;;;;;;-0.98;;;;;;;;;;;;"in-house calculations";"in-house calculations"
Doxorubicin;MM00485;COc1cccc2c1C(=O)c1c(O)c3c(c(O)c1C2=O)CC(O)(C(=O)CO)CC3OC1CC(N)C(O)C(C)O1;AOJJSUZBOXZQNB-TZSSRYMLSA-N;543.53;;31703;DB00997;DM2;CHEMBL53463;DOPC;CCM18;25;0;;;;;;;;;;-3.46;;;;;;;;;;;;"in-house calculations";"in-house calculations"
DPDPE;MM00731;CC1(C)SSC(C)(C)C(NC(=O)C(N)Cc2ccc(O)cc2)C(=O)NCC(=O)NC(Cc2ccccc2)C(=O)NC1C(=O)O;MCMMCRYPQBNCPH-UHFFFAOYSA-N;645.8;1.11;104787;DB08861;;CHEMBL31421;DOPC;CCM18;25;0;;;;;;;;;;-10.65;;;;;;;;;;;;"in-house calculations";"in-house calculations"
Enalaprilat;MM00732;CC(NC(CCc1ccccc1)C(=O)O)C(=O)N1CCCC1C(=O)O;LZFZMUMEGBBDTC-UHFFFAOYSA-N;348.4;1.13;5462501;DB09477;EAL;CHEMBL577;DOPC;CCM18;25;0;;;;;;;;;;-1.49;;;;;;;;;;;;"in-house calculations";"in-house calculations"
Enoxacin;MM00733;CCn1cc(C(=O)O)c(=O)c2cc(F)c(N3CCNCC3)nc21;IDYZIJYBMGIQMJ-UHFFFAOYSA-N;320.32;0.66;3229;DB00467;;CHEMBL826;DOPC;CCM18;25;0;;;;;;;;;;-3.3;;;;;;;;;;;;"in-house calculations";"in-house calculations"
Enrofloxacin;MM00734;CCN1CCN(c2cc3c(cc2F)c(=O)c(C(=O)O)cn3C2CC2)CC1;SPFYMRJSYKOXGV-UHFFFAOYSA-N;359.4;2.32;71188;;;;DOPC;CCM18;25;0;;;;;;;;;;-1.07;;;;;;;;;;;;"in-house calculations";"in-house calculations"
(1R,2S)-2-(methylamino)-1-phenylpropan-1-ol;MM00486;CN[C@@H](C)[C@H](O)c1ccccc1;KWGRBVOPPLSCSI-WPRPVWTQSA-N;165.24;1.33;9294;DB01364;;CHEMBL211456;DOPC;CCM18;25;0;;;;;;;;;;-1.07;;;;;;;;;;;;"in-house calculations";"in-house calculations"
Ergonovine;MM00487;CC(CO)NC(=O)C1C=C2c3cccc4[nH]cc(c34)CC2N(C)C1;WVVSZNPYNCNODU-UHFFFAOYSA-N;325.41;1.53;443884;DB01253;;CHEMBL119443;DOPC;CCM18;25;0;;;;;;;;;;-1.05;;;;;;;;;;;;"in-house calculations";"in-house calculations"
Ergotamine;MM00488;CN1C[C@H](C(=O)N[C@]2(C)O[C@@]3(O)[C@@H]4CCCN4C(=O)[C@H](Cc4ccccc4)N3C2=O)C=C2c3cccc4[nH]cc(c34)C[C@H]21;XCGSFFUVFURLIX-VFGNJEKYSA-N;581.67;1.99;8223;DB00696;ERM;CHEMBL442;DOPC;CCM18;25;0;;;;;;;;;;-2.23;;;;;;;;;;;;"in-house calculations";"in-house calculations"
Estradiol;MM00197;CC12CCC3c4ccc(O)cc4CCC3C1CCC2O;VOXZDWNPVJITMN-UHFFFAOYSA-N;272.39;3.61;5757;DB00783;EST;CHEMBL135;DOPC;CCM18;25;0;;;;;;;;;;-0.95;;;;;;;;;;;;"in-house calculations";"in-house calculations"
3-ethyl-3-methylpyrrolidine-2,5-dione;MM00359;CCC1(C)CC(=O)NC1=O;HAPOVYFOVVWLRS-UHFFFAOYSA-N;141.17;0.45;3291;DB00593;;CHEMBL696;DOPC;CCM18;25;0;;;;;;;;;;-2.74;;;;;;;;;;;;"in-house calculations";"in-house calculations"
Flumequine;MM00646;CC1CCc2cc(F)cc3c(=O)c(C(=O)O)cn1c23;DPSPPJIUMHPXMA-UHFFFAOYSA-N;261.25;2.35;3374;DB08972;;CHEMBL370252;DOPC;CCM18;25;0;;;;;;;;;;-3.5;;;;;;;;;;;;"in-house calculations";"in-house calculations"
"2-(6-hydroxy-3-oxo-3h-xanthen-9-yl)-benzoic acid";MM00054;O=C1OC2(c3ccc(O)cc3Oc3cc(O)ccc32)c2ccccc21;GNBHRKFJIUUOQI-UHFFFAOYSA-N;332.31;3.67;16850;DB00693;FLU;CHEMBL1057;DOPC;CCM18;25;0;;;;;;;;;;-0.41;;;;;;;;;;;;"in-house calculations";"in-house calculations"
Fluoxetine;MM00082;CNCCC(Oc1ccc(C(F)(F)F)cc1)c1ccccc1;RTHCYVBBDHJXIQ-UHFFFAOYSA-N;309.33;4.44;3386;DB00472;;CHEMBL41;DOPC;CCM18;25;0;;;;;;;;;;-0.65;;;;;;;;;;;;"in-house calculations";"in-house calculations"
2-[4-[3-[2-(trifluoromethyl)phenothiazin-10-yl]propyl]piperazin-1-yl]ethanol;MM00494;OCCN1CCN(CCCN2c3ccccc3Sc3ccc(C(F)(F)F)cc32)CC1;PLDUPXSUYLZYBN-UHFFFAOYSA-N;437.53;4.31;3372;DB00623;;CHEMBL726;DOPC;CCM18;25;0;;;;;;;;;;-0.9;;;;;;;;;;;;"in-house calculations";"in-house calculations"
Flurbiprofen;MM00647;CC(C(=O)O)c1ccc(-c2ccccc2)c(F)c1;SYTBZMRGLBWNTM-UHFFFAOYSA-N;244.27;3.68;3394;DB00712;;CHEMBL563;DOPC;CCM18;25;0;;;;;;;;;;0.19;;;;;;;;;;;;"in-house calculations";"in-house calculations"
"(E,3R,5S)-7-[3-(4-fluorophenyl)-1-propan-2-ylindol-2-yl]-3,5-dihydroxyhept-6-enoic acid";MM00648;CC(C)n1c(C=CC(O)CC(O)CC(=O)O)c(-c2ccc(F)cc2)c2ccccc21;FJLGEFLZQAZZCD-UHFFFAOYSA-N;411.47;4.63;446155;DB01095;115;CHEMBL350239;DOPC;CCM18;25;0;;;;;;;;;;-0.75;;;;;;;;;;;;"in-house calculations";"in-house calculations"
Fluvoxamine;MM00495;COCCCCC(=NOCCN)c1ccc(C(F)(F)F)cc1;CJOFXWAVKWHTFT-UHFFFAOYSA-N;318.34;3.2;5324346;DB00176;FVX;CHEMBL814;DOPC;CCM18;25;0;;;;;;;;;;-0.97;;;;;;;;;;;;"in-house calculations";"in-house calculations"
Furosemide;MM00083;NS(=O)(=O)c1cc(C(=O)O)c(NCc2ccco2)cc1Cl;ZZUFCTLCJUWOSV-UHFFFAOYSA-N;330.75;1.89;3440;DB00695;FUN;CHEMBL35;DOPC;CCM18;25;0;;;;;;;;;;-4.26;;;;;;;;;;;;"in-house calculations";"in-house calculations"
Gabapentin;MM00737;NCC1(CC(=O)O)CCCCC1;UGJMXCAKCUNAIE-UHFFFAOYSA-N;171.24;1.37;3446;DB00996;GBN;CHEMBL940;DOPC;CCM18;25;0;;;;;;;;;;-1.09;;;;;;;;;;;;"in-house calculations";"in-house calculations"
(2R,3S,4R,5S)-hexane-1,2,3,4,5,6-hexol;MM00366;OC[C@H](O)[C@@H](O)[C@@H](O)[C@H](O)CO;FBPFZTCFMRRESA-GUCUJZIJSA-N;182.17;-3.59;11850;;;;DOPC;CCM18;25;0;;;;;;;;;;-6.18;;;;;;;;;;;;"in-house calculations";"in-house calculations"
Galantamine;MM00496;COc1ccc2c3c1OC1CC(O)C=CC31CCN(C)C2;ASUTZQLVASHGKV-UHFFFAOYSA-N;287.36;1.85;9651;DB00674;GNT;CHEMBL659;DOPC;CCM18;25;0;;;;;;;;;;-1.37;;;;;;;;;;;;"in-house calculations";"in-house calculations"
2-amino-9-(1,3-dihydroxypropan-2-yloxymethyl)-1H-purin-6-one;MM476468;Nc1nc2c(ncn2COC(CO)CO)c(=O)[nH]1;IRSCQMHQWWYFCW-UHFFFAOYSA-N;255.23;-1.97;135398740;;;;DOPC;CCM18;25;0;;;;;;;;;;-11.14;;;;;;;;;;;;"in-house calculations";"in-house calculations"
Gatifloxacin;MM00738;COc1c(N2CCNC(C)C2)c(F)cc2c(=O)c(C(=O)O)cn(C3CC3)c12;XUBOMFCQGDBHNK-UHFFFAOYSA-N;375.4;1.98;5379;DB01044;;CHEMBL31;DOPC;CCM18;25;0;;;;;;;;;;-2.59;;;;;;;;;;;;"in-house calculations";"in-house calculations"
"5-(2,5-dimethylphenoxy)-2,2-dimethylpentanoic acid";MM00650;Cc1ccc(C)c(OCCCC(C)(C)C(=O)O)c1;HEMJJKBWTPKOJG-UHFFFAOYSA-N;250.34;3.57;3463;DB01241;4TX;CHEMBL457;DOPC;CCM18;25;0;;;;;;;;;;0.11;;;;;;;;;;;;"in-house calculations";"in-house calculations"
Genistein;MM00368;O=c1c(-c2ccc(O)cc2)coc2cc(O)cc(O)c12;TZBJGXHYKVUXJN-UHFFFAOYSA-N;270.24;2.58;5280961;DB01645;GEN;CHEMBL44;DOPC;CCM18;25;0;;;;;;;;;;-1.1;;;;;;;;;;;;"in-house calculations";"in-house calculations"
Glipizide;MM00651;Cc1cnc(C(=O)NCCc2ccc(S(=O)(=O)NC(=O)NC3CCCCC3)cc2)cn1;ZJJXGWJIGJFDTL-UHFFFAOYSA-N;445.55;2.08;3478;DB01067;;CHEMBL1073;DOPC;CCM18;25;0;;;;;;;;;;-1.41;;;;;;;;;;;;"in-house calculations";"in-house calculations"
L-Glutamine;MM00748;NC(=O)CC[C@H](N)C(=O)O;ZDXPYRJPNDTMRX-VKHMYHEASA-N;146.15;-1.34;5961;DB00130;GLN;CHEMBL930;DOPC;CCM18;25;0;;;;;;;;;;-7.02;;;;;;;;;;;;"in-house calculations";"in-house calculations"
Glycine;MM00741;NCC(=O)O;DHMQDGOQFOQNFH-UHFFFAOYSA-N;75.07;-0.97;750;DB00145;GLY;CHEMBL773;DOPC;CCM18;25;0;;;;;;;;;;-3.34;;;;;;;;;;;;"in-house calculations";"in-house calculations"
Grepafloxacin;MM00742;Cc1c(F)c(N2CCNC(C)C2)cc2c1c(=O)c(C(=O)O)cn2C1CC1;AIJTTZAVMXIJGM-UHFFFAOYSA-N;359.4;2.28;72474;DB00365;;CHEMBL583;DOPC;CCM18;25;0;;;;;;;;;;-1.88;;;;;;;;;;;;"in-house calculations";"in-house calculations"
Griseofulvin;MM00369;COC1=CC(=O)CC(C)C12Oc1c(Cl)c(OC)cc(OC)c1C2=O;DDUHZTYCFQRHIY-UHFFFAOYSA-N;352.77;2.81;441140;DB00400;;CHEMBL562;DOPC;CCM18;25;0;;;;;;;;;;-1.02;;;;;;;;;;;;"in-house calculations";"in-house calculations"
Guanabenz;MM00497;NC(N)=NN=Cc1c(Cl)cccc1Cl;WDZVGELJXXEGPV-UHFFFAOYSA-N;231.09;1.81;5702063;DB00629;;CHEMBL420;DOPC;CCM18;25;0;;;;;;;;;;-1.49;;;;;;;;;;;;"in-house calculations";"in-house calculations"
Guanfacine;MM00370;N=C(N)NC(=O)Cc1c(Cl)cccc1Cl;INJOMKTZOLKMBF-UHFFFAOYSA-N;246.1;1.55;3519;DB01018;;CHEMBL862;DOPC;CCM18;25;0;;;;;;;;;;-1.66;;;;;;;;;;;;"in-house calculations";"in-house calculations"
Haloperidol;MM00499;O=C(CCCN1CCC(O)(c2ccc(Cl)cc2)CC1)c1ccc(F)cc1;LNEPOXFFQSENCJ-UHFFFAOYSA-N;375.87;4.43;3559;DB00502;;CHEMBL54;DOPC;CCM18;25;0;;;;;;;;;;-0.88;;;;;;;;;;;;"in-house calculations";"in-house calculations"
Hesperetin;MM00371;COc1ccc(C2CC(=O)c3c(O)cc(O)cc3O2)cc1O;AIONOLUJZLIMTK-AWEZNQCLSA-N;302.28;2.52;72281;DB01094;6JP;CHEMBL399121;DOPC;CCM18;25;0;;;;;;;;;;-0.52;;;;;;;;;;;;"in-house calculations";"in-house calculations"
5,7-dihydroxy-2-(4-hydroxyphenyl)-6-methoxychromen-4-one;MM00372;COc1c(O)cc2oc(-c3ccc(O)cc3)cc(=O)c2c1O;IHFBPDAQLQOCBX-UHFFFAOYSA-N;300.27;2.59;5281628;;;;DOPC;CCM18;25;0;;;;;;;;;;-0.4;;;;;;;;;;;;"in-house calculations";"in-house calculations"
L-Histidine;MM00749;N[C@@H](Cc1cnc[nH]1)C(=O)O;HNDVDQJCIGZPNO-YFKPBYRVSA-N;155.16;-0.64;6274;DB00117;HIS;CHEMBL17962;DOPC;CCM18;25;0;;;;;;;;;;-7.05;;;;;;;;;;;;"in-house calculations";"in-house calculations"
1-hydrazinophthalazine;MM00501;NNc1nncc2ccccc12;RPTUSVTUFVMDQK-UHFFFAOYSA-N;160.18;0.92;3637;DB01275;HLZ;CHEMBL276832;DOPC;CCM18;25;0;;;;;;;;;;-4.52;;;;;;;;;;;;"in-house calculations";"in-house calculations"
Hydrochlorothiazide;MM00373;NS(=O)(=O)c1cc2c(cc1Cl)NCNS2(=O)=O;JZUFKLXOESDKRF-UHFFFAOYSA-N;297.75;-0.35;3639;DB00999;HCZ;CHEMBL435;DOPC;CCM18;25;0;;;;;;;;;;-7.33;;;;;;;;;;;;"in-house calculations";"in-house calculations"
L-Lysine;MM00753;NCCCC[C@H](N)C(=O)O;KDXKERNSBIXSRK-YFKPBYRVSA-N;146.19;-0.47;5962;DB00123;LYS;CHEMBL8085;DOPC;CCM18;25;0;;;;;;;;;;-3.76;;;;;;;;;;;;"in-house calculations";"in-house calculations"
Norfloxacin;MM00768;CCn1cc(C(=O)O)c(=O)c2cc(F)c(N3CCNCC3)cc21;OGJPXUAPXNRGGI-UHFFFAOYSA-N;319.34;1.27;4539;DB01059;;CHEMBL9;DOPC;CCM18;25;0;;;;;;;;;;-4.76;;;;;;;;;;;;"in-house calculations";"in-house calculations"
Pefloxacin;MM00770;CCn1cc(C(=O)O)c(=O)c2cc(F)c(N3CCN(C)CC3)cc21;FHFYDNQZQSQIAI-UHFFFAOYSA-N;333.36;1.61;51081;DB00487;;CHEMBL267648;DOPC;CCM18;25;0;;;;;;;;;;-1.14;;;;;;;;;;;;"in-house calculations";"in-house calculations"
Amylamine;MM00537;CCCCCN;DPBLXKKOBLCELK-UHFFFAOYSA-N;87.17;1.14;8060;DB02045;AML;;DOPC;CCM18;25;0;;;;;;;;;;-0.63;;;;;;;;;;;;"in-house calculations";"in-house calculations"
L-Phenylalanine;MM00756;NC(Cc1ccccc1)C(=O)O;COLNVLDHVKWLRT-QMMMGPOBSA-N;165.19;0.64;6140;DB00120;PHE;CHEMBL301523;DOPC;CCM18;25;0;;;;;;;;;;-1.6;;;;;;;;;;;;"in-house calculations";"in-house calculations"
Prednisone;MM00408;C[C@]12CC(=O)[C@H]3[C@@H](CCC4=CC(=O)C=C[C@@]43C)[C@@H]1CC[C@]2(O)C(=O)CO;XOFYZVNMUHMLCC-ZPOLXVRWSA-N;358.43;1.77;5865;DB00635;PDN;CHEMBL635;DOPC;CCM18;25;0;;;;;;;;;;-2.41;;;;;;;;;;;;"in-house calculations";"in-house calculations"
MM476470;MM476470;"CN/C(=C\[N+](=O)[O-])NCCSCc1ccc(CN(C)C)o1";VMXUWOKSQNHOCA-UKTHLTGXSA-N;314.41;1.46;3001055;;;;DOPC;CCM18;25;0;;;;;;;;;;-1.68;;;;;;;;;;;;"in-house calculations";"in-house calculations"
Resveratrol;MM00418;Oc1ccc(C=Cc2cc(O)cc(O)c2)cc1;LUKBXSAWLPMMSZ-UHFFFAOYSA-N;228.25;2.97;445154;DB06273;;CHEMBL1237022;DOPC;CCM18;25;0;;;;;;;;;;-2.29;;;;;;;;;;;;"in-house calculations";"in-house calculations"
1-(1-adamantyl)ethanamine;MM00560;CC(N)C12CC3CC(CC(C3)C1)C2;UBCHPRBFMUDMNC-UHFFFAOYSA-N;179.31;2.55;5071;DB00478;;CHEMBL959;DOPC;CCM18;25;0;;;;;;;;;;0.21;;;;;;;;;;;;"in-house calculations";"in-house calculations"
Risperidone;MM00561;Cc1nc2n(c(=O)c1CCN1CCC(c3noc4cc(F)ccc34)CC1)CCCC2;RAPZEAPATHNIPO-UHFFFAOYSA-N;410.49;3.59;5073;DB00734;8NU;CHEMBL85;DOPC;CCM18;25;0;;;;;;;;;;-1.08;;;;;;;;;;;;"in-house calculations";"in-house calculations"
N,N-dimethyl-2-[5-(1,2,4-triazol-1-ylmethyl)-1H-indol-3-yl]ethanamine;MM00562;CN(C)CCc1c[nH]c2ccc(Cn3cncn3)cc12;ULFRLSNUDGIQQP-UHFFFAOYSA-N;269.35;1.91;5078;DB00953;;CHEMBL905;DOPC;CCM18;25;0;;;;;;;;;;-0.84;;;;;;;;;;;;"in-house calculations";"in-house calculations"
"6-fluoro-1-(4-fluorophenyl)-4-oxo-7-piperazin-1-ylquinoline-3-carboxylic acid";MM00771;O=C(O)c1cn(-c2ccc(F)cc2)c2cc(N3CCNCC3)c(F)cc2c1=O;XBHBWNFJWIASRO-UHFFFAOYSA-N;385.37;2.38;56208;DB11491;;CHEMBL37858;DOPC;CCM18;25;0;;;;;;;;;;-1.9;;;;;;;;;;;;"in-house calculations";"in-house calculations"
Scopolamine;MM00564;CN1[C@H]2CC(OC(=O)[C@H](CO)c3ccccc3)C[C@@H]1[C@H]1O[C@@H]21;STECJAGHUSJQJN-USLFZFAMSA-N;303.36;0.92;3000322;DB00747;;CHEMBL569713;DOPC;CCM18;25;0;;;;;;;;;;-1.85;;;;;;;;;;;;"in-house calculations";"in-house calculations"
(2R)-N-methyl-1-phenyl-N-prop-2-ynylpropan-2-amine;MM00565;C#CCN(C)[C@H](C)Cc1ccccc1;MEZLKOACVSPNER-GFCCVEGCSA-N;187.29;2.18;26757;DB01037;;CHEMBL972;DOPC;CCM18;25;0;;;;;;;;;;-0.65;;;;;;;;;;;;"in-house calculations";"in-house calculations"
Sertraline;MM00566;CN[C@H]1CC[C@@H](c2ccc(Cl)c(Cl)c2)c2ccccc21;VGKDLMBJGBXTGI-SJCJKPOMSA-N;306.24;5.18;68617;DB01104;SRE;CHEMBL809;DOPC;CCM18;25;0;;;;;;;;;;-0.93;;;;;;;;;;;;"in-house calculations";"in-house calculations"
Silibinin;MM00420;COc1cc([C@H]2Oc3cc([C@H]4Oc5cc(O)cc(O)c5C(=O)[C@@H]4O)ccc3O[C@@H]2CO)ccc1O;SEBFKMXJBCUCAI-HKTJVKLFSA-N;482.44;2.36;31553;DB09298;;CHEMBL431701;DOPC;CCM18;25;0;;;;;;;;;;-1.23;;;;;;;;;;;;"in-house calculations";"in-house calculations"
Sotalol;MM00567;CC(C)NCC(O)c1ccc(NS(C)(=O)=O)cc1;ZBMZVLHSJCTVON-UHFFFAOYSA-N;272.37;1.09;5253;DB00489;;CHEMBL471;DOPC;CCM18;25;0;;;;;;;;;;-1.44;;;;;;;;;;;;"in-house calculations";"in-house calculations"
Sparfloxacin;MM00772;CC1CN(c2c(F)c(N)c3c(=O)c(C(=O)O)cn(C4CC4)c3c2F)CC(C)N1;DZZWHBIBMUVIIW-UHFFFAOYSA-N;392.41;2.08;60464;DB01208;;CHEMBL850;DOPC;CCM18;25;0;;;;;;;;;;-1.57;;;;;;;;;;;;"in-house calculations";"in-house calculations"
Sufentanil;MM00304;CCC(=O)N(c1ccccc1)C1(COC)CCN(CCc2cccs2)CC1;GGCSSNBKKAUURC-UHFFFAOYSA-N;386.56;4.21;41693;DB00708;;CHEMBL658;DOPC;CCM18;25;0;;;;;;;;;;-1.79;;;;;;;;;;;;"in-house calculations";"in-house calculations"
Sulpiride;MM00568;CCN1CCCC1CNC(=O)c1cc(S(N)(=O)=O)ccc1OC;BGRJTUBHPOOWDU-UHFFFAOYSA-N;341.43;0.56;5355;DB00391;;CHEMBL26;DOPC;CCM18;25;0;;;;;;;;;;-3.62;;;;;;;;;;;;"in-house calculations";"in-house calculations"
1-[3-[2-(dimethylamino)ethyl]-1H-indol-5-yl]-N-methylmethanesulfonamide;MM00569;CNS(=O)(=O)Cc1ccc2[nH]cc(CCN(C)C)c2c1;KQKPFRSPSRPDEB-UHFFFAOYSA-N;295.41;1.32;5358;DB00669;;CHEMBL128;DOPC;CCM18;25;0;;;;;;;;;;-1.15;;;;;;;;;;;;"in-house calculations";"in-house calculations"
Tamoxifen;MM00570;CCC(=C(c1ccccc1)c1ccc(OCCN(C)C)cc1)c1ccccc1;NKANXQFJJICGDU-UHFFFAOYSA-N;371.52;6;2733526;DB00675;CTX;CHEMBL83;DOPC;CCM18;25;0;;;;;;;;;;-0.97;;;;;;;;;;;;"in-house calculations";"in-house calculations"
7-chloro-3-hydroxy-1-methyl-5-phenyl-3H-1,4-benzodiazepin-2-one;MM00422;CN1C(=O)C(O)N=C(c2ccccc2)c2cc(Cl)ccc21;SEQDDYPDSLOBDC-UHFFFAOYSA-N;300.75;2.47;5391;DB00231;;CHEMBL967;DOPC;CCM18;25;0;;;;;;;;;;-0.73;;;;;;;;;;;;"in-house calculations";"in-house calculations"
Terfenadine;MM00571;CC(C)(C)c1ccc(C(O)CCCN2CCC(C(O)(c3ccccc3)c3ccccc3)CC2)cc1;GUGOEEXESWIERI-UHFFFAOYSA-N;471.69;6.45;5405;DB00342;;CHEMBL17157;DOPC;CCM18;25;0;;;;;;;;;;-0.92;;;;;;;;;;;;"in-house calculations";"in-house calculations"
Testosterone;MM00423;CC12CCC(=O)C=C1CCC1C2CCC2(C)C(O)CCC12;MUMGGOZAMZWBJJ-UHFFFAOYSA-N;288.43;3.88;6013;DB00624;TES;CHEMBL386630;DOPC;CCM18;25;0;;;;;;;;;;-1.82;;;;;;;;;;;;"in-house calculations";"in-house calculations"
Theobromine;MM00424;Cn1cnc2c1c(=O)[nH]c(=O)n2C;YAPQBXQYLJRXSA-UHFFFAOYSA-N;180.17;-1.04;5429;DB01412;37T;CHEMBL1114;DOPC;CCM18;25;0;;;;;;;;;;-4.17;;;;;;;;;;;;"in-house calculations";"in-house calculations"
2-(1,3-thiazol-4-yl)-1h-benzimidazole;MM00425;c1ccc2[nH]c(-c3cscn3)nc2c1;WJCNZQLZVWNLKY-UHFFFAOYSA-N;201.25;2.69;5430;DB00730;TMG;CHEMBL625;DOPC;CCM18;25;0;;;;;;;;;;-1.03;;;;;;;;;;;;"in-house calculations";"in-house calculations"
10-[2-(1-methylpiperidin-2-yl)ethyl]-2-methylsulfanylphenothiazine;MM00572;CSc1ccc2c(c1)N(CCC1CCCCN1C)c1ccccc1S2;KLBQZWRITKRQQV-UHFFFAOYSA-N;370.59;5.89;5452;DB00679;;CHEMBL479;DOPC;CCM18;25;0;;;;;;;;;;-1.04;;;;;;;;;;;;"in-house calculations";"in-house calculations"
(9Z)-N,N-dimethyl-9-[3-(4-methylpiperazin-1-yl)propylidene]thioxanthene-2-sulfonamide;MM00693;CN1CCN(CC/C=C2/c3ccccc3Sc3ccc(S(=O)(=O)N(C)C)cc32)CC1;GFBKORZTTCHDGY-UWVJOHFNSA-N;443.64;3.47;941651;DB01623;;CHEMBL1201;DOPC;CCM18;25;0;;;;;;;;;;-1.78;;;;;;;;;;;;"in-house calculations";"in-house calculations"
L-Threonine;MM00758;C[C@@H](O)[C@H](N)C(=O)O;AYFVYJQAPQTCCC-GBXIJSLDSA-N;119.12;-1.22;6288;DB00156;THR;CHEMBL291747;DOPC;CCM18;25;0;;;;;;;;;;-3.34;;;;;;;;;;;;"in-house calculations";"in-house calculations"
L-deoxythymidine;MM00427;Cc1cn([C@H]2C[C@H](O)[C@@H](CO)O2)c(=O)[nH]c1=O;IQFYYKKMVGJFEH-XLPZGREQSA-N;242.23;-1.51;5789;DB01265;LLT;CHEMBL374731;DOPC;CCM18;25;0;;;;;;;;;;-7.76;;;;;;;;;;;;"in-house calculations";"in-house calculations"
Thymine;MM00428;Cc1c[nH]c(=O)[nH]c1=O;RWQNBRDOKXIBIV-UHFFFAOYSA-N;126.12;-0.63;1135;DB03462;TDR;CHEMBL993;DOPC;CCM18;25;0;;;;;;;;;;-5.57;;;;;;;;;;;;"in-house calculations";"in-house calculations"
"(3R)-1-[4,4-bis(3-methylthiophen-2-yl)but-3-enyl]piperidine-3-carboxylic acid";MM00773;Cc1ccsc1C(=CCCN1CCCC(C(=O)O)C1)c1sccc1C;PBJUNZJWGZTSKL-UHFFFAOYSA-N;375.56;5.04;60648;DB00906;;CHEMBL1027;DOPC;CCM18;25;0;;;;;;;;;;-0.81;;;;;;;;;;;;"in-house calculations";"in-house calculations"
(2S)-1-(tert-butylamino)-3-[(4-morpholin-4-yl-1,2,5-thiadiazol-3-yl)oxy]propan-2-ol;MM00573;CC(C)(C)NCC(O)COc1nsnc1N1CCOCC1;BLJRIMJGRPQVNF-UHFFFAOYSA-N;316.43;0.5;33624;DB00373;TIM;CHEMBL499;DOPC;CCM18;25;0;;;;;;;;;;-2.08;;;;;;;;;;;;"in-house calculations";"in-house calculations"
Tolbutamide;MM00708;CCCCNC(=O)NS(=O)(=O)c1ccc(C)cc1;JLRGJRBPOGGCBT-UHFFFAOYSA-N;270.35;1.78;5505;DB01124;;CHEMBL782;DOPC;CCM18;25;0;;;;;;;;;;-0.26;;;;;;;;;;;;"in-house calculations";"in-house calculations"
Topotecan;MM00575;CCC1(O)C(=O)OCc2c1cc1n(c2=O)Cc2cc3c(CN(C)C)c(O)ccc3nc2-1;UCFGDBYHRUNTLO-UHFFFAOYSA-N;421.45;1.85;60700;DB01030;TTC;CHEMBL84;DOPC;CCM18;25;0;;;;;;;;;;-1.15;;;;;;;;;;;;"in-house calculations";"in-house calculations"
6-phenylpteridine-2,4,7-triamine;MM00577;Nc1nc(N)c2nc(-c3ccccc3)c(N)nc2n1;FNYLWPVRPXGIIP-UHFFFAOYSA-N;253.27;0.83;5546;DB00384;DX2;CHEMBL585;DOPC;CCM18;25;0;;;;;;;;;;-4.37;;;;;;;;;;;;"in-house calculations";"in-house calculations"
10-[3-(4-methylpiperazin-1-yl)propyl]-2-(trifluoromethyl)phenothiazine;MM00578;CN1CCN(CCCN2c3ccccc3Sc3ccc(C(F)(F)F)cc32)CC1;ZEWQUBUPAILYHI-UHFFFAOYSA-N;407.51;4.95;5566;DB00831;TFP;CHEMBL422;DOPC;CCM18;25;0;;;;;;;;;;-1.3;;;;;;;;;;;;"in-house calculations";"in-house calculations"
N,N-dimethyl-3-[2-(trifluoromethyl)phenothiazin-10-yl]propan-1-amine;MM00579;CN(C)CCCN1c2ccccc2Sc2ccc(C(F)(F)F)cc21;XSCGXQMFQXDFCW-UHFFFAOYSA-N;352.43;5.26;5568;DB00508;;CHEMBL570;DOPC;CCM18;25;0;;;;;;;;;;-0.97;;;;;;;;;;;;"in-house calculations";"in-house calculations"
Zaleplon;MM00434;CCN(C(C)=O)c1cccc(-c2ccnc3c(C#N)cnn23)c1;HUNXMJYCHXQEGX-UHFFFAOYSA-N;305.34;2.64;5719;DB00962;;CHEMBL1521;DOPC;CCM18;25;0;;;;;;;;;;-1.45;;;;;;;;;;;;"in-house calculations";"in-house calculations"
(Z)-3-(4-bromophenyl)-N,N-dimethyl-3-pyridin-3-ylprop-2-en-1-amine;MM00588;CN(C)C/C=C(/c1ccc(Br)cc1)c1cccnc1;OYPPVKRFBIWMSX-SXGWCWSVSA-N;317.23;3.84;5365247;DB04832;;CHEMBL37744;DOPC;CCM18;25;0;;;;;;;;;;-1.31;;;;;;;;;;;;"in-house calculations";"in-house calculations"
5-[2-[4-(1,2-benzothiazol-3-yl)piperazin-1-yl]ethyl]-6-chloro-1,3-dihydroindol-2-one;MM00589;O=C1Cc2cc(CCN3CCN(c4nsc5ccccc45)CC3)c(Cl)cc2N1;MVWVFYHBGMAFLY-UHFFFAOYSA-N;412.95;3.81;60854;DB00246;;CHEMBL708;DOPC;CCM18;25;0;;;;;;;;;;-0.59;;;;;;;;;;;;"in-house calculations";"in-house calculations"
(4S)-4-[[3-[2-(dimethylamino)ethyl]-1H-indol-5-yl]methyl]-1,3-oxazolidin-2-one;MM00590;CN(C)CCc1c[nH]c2ccc(CC3COC(=O)N3)cc12;ULSDMUVEXKOYBU-UHFFFAOYSA-N;287.36;1.92;60857;DB00315;;CHEMBL1185;DOPC;CCM18;25;0;;;;;;;;;;-0.85;;;;;;;;;;;;"in-house calculations";"in-house calculations"
"2-[5-(4-chlorobenzoyl)-1,4-dimethylpyrrol-2-yl]acetic acid";MM00713;Cc1cc(CC(=O)O)n(C)c1C(=O)c1ccc(Cl)cc1;ZXVNMYWKKDOREA-UHFFFAOYSA-N;291.73;2.85;5733;DB04828;ZOM;CHEMBL19490;DOPC;CCM18;25;0;;;;;;;;;;-0.33;;;;;;;;;;;;"in-house calculations";"in-house calculations"
Butyramide;MM00059;CCCC(N)=O;DNSISZSEWVHGLH-UHFFFAOYSA-N;87.12;0.27;10927;DB02121;BMD;CHEMBL1231396;DOPC;CCM18;25;0;;;;;;;;;;-2.83;;;;;;;;;;;;"in-house calculations";"in-house calculations"
"Potassium;4-[3-(6-oxo-1H-purin-9-yl)propanoylamino]benzoate";MM476472;O=C(CCn1cnc2c(=O)[nH]cnc21)Nc1ccc(C(=O)[O-])cc1.[K+];MICLTPPSCUXHJT-UHFFFAOYSA-M;365.39;-3.48;135413527;;;;DOPC;CCM18;25;-1;;;;;;;;;;-16.16;;;;;;;;;;;;"in-house calculations";"in-house calculations"
"(E,3R,5S)-7-[3-(4-fluorophenyl)-1-propan-2-ylindol-2-yl]-3,5-dihydroxyhept-6-enoic acid";MM00648;CC(C)n1c(C=CC(O)CC(O)CC(=O)O)c(-c2ccc(F)cc2)c2ccccc21;FJLGEFLZQAZZCD-UHFFFAOYSA-N;411.47;4.63;446155;DB01095;115;CHEMBL350239;DOPC;CCM18;25;-1;;;;;;;;;;-19.33;;;;;;;;;;;;"in-house calculations";"in-house calculations"
Cerivastatin;MM00639;COCc1c(C(C)C)nc(C(C)C)c(C=CC(O)CC(O)CC(=O)O)c1-c1ccc(F)cc1;SEERZIQQUAZTOL-UHFFFAOYSA-N;459.56;4.88;446156;DB00439;116;CHEMBL1477;DOPC;CCM18;25;-1;;;;;;;;;;-19.38;;;;;;;;;;;;"in-house calculations";"in-house calculations"
Enalaprilat;MM00732;CC(NC(CCc1ccccc1)C(=O)O)C(=O)N1CCCC1C(=O)O;LZFZMUMEGBBDTC-UHFFFAOYSA-N;348.4;1.13;5462501;DB09477;EAL;CHEMBL577;DOPC;CCM18;25;-1;;;;;;;;;;-19.38;;;;;;;;;;;;"in-house calculations";"in-house calculations"
Diclofenac;MM00090;O=C(O)Cc1ccccc1Nc1c(Cl)cccc1Cl;DCOPUUMXTXDBNB-UHFFFAOYSA-N;296.15;4.36;3033;DB00586;DIF;CHEMBL139;DOPC;CCM18;25;-1;;;;;;;;;;-21.58;;;;;;;;;;;;"in-house calculations";"in-house calculations"
Furosemide;MM00083;NS(=O)(=O)c1cc(C(=O)O)c(NCc2ccco2)cc1Cl;ZZUFCTLCJUWOSV-UHFFFAOYSA-N;330.75;1.89;3440;DB00695;FUN;CHEMBL35;DOPC;CCM18;25;-1;;;;;;;;;;-21.98;;;;;;;;;;;;"in-house calculations";"in-house calculations"
Chlorambucil;MM00640;O=C(O)CCCc1ccc(N(CCCl)CCCl)cc1;JCKYGMPEJWAADB-UHFFFAOYSA-N;304.22;3.38;2708;DB00291;CBL;CHEMBL515;DOPC;CCM18;25;-1;;;;;;;;;;-22.55;;;;;;;;;;;;"in-house calculations";"in-house calculations"
"4-(dipropylsulfamoyl)benzoic acid";MM00684;CCCN(CCC)S(=O)(=O)c1ccc(C(=O)O)cc1;DBABZHXKTCFAPX-UHFFFAOYSA-N;285.37;2.2;4911;DB01032;;CHEMBL897;DOPC;CCM18;25;-1;;;;;;;;;;-22.93;;;;;;;;;;;;"in-house calculations";"in-house calculations"
"2-[5-(4-chlorobenzoyl)-1,4-dimethylpyrrol-2-yl]acetic acid";MM00713;Cc1cc(CC(=O)O)n(C)c1C(=O)c1ccc(Cl)cc1;ZXVNMYWKKDOREA-UHFFFAOYSA-N;291.73;2.85;5733;DB04828;ZOM;CHEMBL19490;DOPC;CCM18;25;-1;;;;;;;;;;-23.42;;;;;;;;;;;;"in-house calculations";"in-house calculations"
Tolbutamide;MM00708;CCCCNC(=O)NS(=O)(=O)c1ccc(C)cc1;JLRGJRBPOGGCBT-UHFFFAOYSA-N;270.35;1.78;5505;DB01124;;CHEMBL782;DOPC;CCM18;25;-1;;;;;;;;;;-23.59;;;;;;;;;;;;"in-house calculations";"in-house calculations"
Cetirizine;MM00724;O=C(O)COCCN1CCN(C(c2ccccc2)c2ccc(Cl)cc2)CC1;ZKLPARSLTMPFCP-UHFFFAOYSA-N;388.9;3.15;2678;DB00341;;;DOPC;CCM18;25;-1;;;;;;;;;;-23.68;;;;;;;;;;;;"in-house calculations";"in-house calculations"
"5-(2,5-dimethylphenoxy)-2,2-dimethylpentanoic acid";MM00650;Cc1ccc(C)c(OCCCC(C)(C)C(=O)O)c1;HEMJJKBWTPKOJG-UHFFFAOYSA-N;250.34;3.57;3463;DB01241;4TX;CHEMBL457;DOPC;CCM18;25;-1;;;;;;;;;;-23.68;;;;;;;;;;;;"in-house calculations";"in-house calculations"
Indomethacin;MM00656;COc1ccc2c(c1)c(CC(=O)O)c(C)n2C(=O)c1ccc(Cl)cc1;CGIGDMFJXJATDK-UHFFFAOYSA-N;357.79;3.93;3715;DB00328;IMN;CHEMBL6;DOPC;CCM18;25;-1;;;;;;;;;;-24.28;;;;;;;;;;;;"in-house calculations";"in-house calculations"
Ketoprofen;MM00662;CC(C(=O)O)c1cccc(C(=O)c2ccccc2)c1;DKYWVDODHFEZIM-UHFFFAOYSA-N;254.29;3.11;3825;DB01009;;CHEMBL571;DOPC;CCM18;25;-1;;;;;;;;;;-24.54;;;;;;;;;;;;"in-house calculations";"in-house calculations"
Ibuprofen;MM00045;CC(C)Cc1ccc(C(C)C(=O)O)cc1;HEFNNWSXXWATRW-UHFFFAOYSA-N;206.29;3.07;3672;DB01050;;CHEMBL521;DOPC;CCM18;25;-1;;;;;;;;;;-24.87;;;;;;;;;;;;"in-house calculations";"in-house calculations"
Flumequine;MM00646;CC1CCc2cc(F)cc3c(=O)c(C(=O)O)cn1c23;DPSPPJIUMHPXMA-UHFFFAOYSA-N;261.25;2.35;3374;DB08972;;CHEMBL370252;DOPC;CCM18;25;-1;;;;;;;;;;-25.85;;;;;;;;;;;;"in-house calculations";"in-house calculations"
Naproxen;MM00672;COc1ccc2cc(C(C)C(=O)O)ccc2c1;CMWTZPSULFXXJA-UHFFFAOYSA-N;230.26;3.04;156391;DB00788;NPS;CHEMBL154;DOPC;CCM18;25;-1;;;;;;;;;;-26.88;;;;;;;;;;;;"in-house calculations";"in-house calculations"
Hexane-1,6-diol;MM476473;OCCCCCCO;XXMIOPMDWAUFGU-UHFFFAOYSA-N;118.18;0.53;12374;;;;DOPC;CCM18;25;0;;;;;;;;;;-1.88;;;;;;;;;;;;"in-house calculations";"in-house calculations"
11beta-Hydroxyprogesterone;MM00317;CC(=O)[C@H]1CC[C@H]2[C@@H]3CCC4=CC(=O)CC[C@]4(C)[C@H]3[C@@H](O)C[C@]12C;BFZHCUBIASXHPK-ATWVFEABSA-N;330.47;3.69;101788;;;;DOPC;CCM18;25;0;;;;;;;;;;-2.08;;;;;;;;;;;;"in-house calculations";"in-house calculations"
2,3-Dideoxyadenosine;MM00318;Nc1ncnc2c1ncn2[C@H]1CC[C@@H](CO)O1;WVXRAFOPTSTNLL-NKWVEPMBSA-N;235.25;0.08;20039;;;;DOPC;CCM18;25;0;;;;;;;;;;-5.11;;;;;;;;;;;;"in-house calculations";"in-house calculations"
2,4-Dibromoestradiol;MM00319;CC12CCC3c4cc(Br)c(O)c(Br)c4CCC3C1CCC2O;UTXNYGUZJLLOSP-UHFFFAOYSA-N;430.18;5.13;266051;;;;DOPC;CCM18;25;0;;;;;;;;;;-0.9;;;;;;;;;;;;"in-house calculations";"in-house calculations"
"N-Octylmalonic Acid";MM00670;CCCCCCCCC(C(=O)O)C(=O)O;QJGNSTCICFBACB-UHFFFAOYSA-N;216.28;2.52;12972;;;;DOPC;CCM18;25;0;;;;;;;;;;0.01;;;;;;;;;;;;"in-house calculations";"in-house calculations"
"Alpha-Cyano-p-Toluic Acid";MM00622;N#CCc1ccc(C(=O)O)cc1;RSGBXCFAYHOKQZ-UHFFFAOYSA-N;161.16;1.45;270871;;;;DOPC;CCM18;25;-1;;;;;;;;;;-27.41;;;;;;;;;;;;"in-house calculations";"in-house calculations"
"Alpha-Hydroxy-p-Toluic Acid";MM00624;O=C(O)c1ccc(CO)cc1;WWYFPDXEIFBNKE-UHFFFAOYSA-N;152.15;0.88;76360;;;;DOPC;CCM18;25;-1;;;;;;;;;;-28.28;;;;;;;;;;;;"in-house calculations";"in-house calculations"
"Alpha-Chloro-p-Toluic Acid";MM00620;O=C(O)c1ccc(CCl)cc1;OITNBJHJJGMFBN-UHFFFAOYSA-N;170.6;2.12;74234;;;;DOPC;CCM18;25;-1;;;;;;;;;;-27.02;;;;;;;;;;;;"in-house calculations";"in-house calculations"
"Alpha-Methoxy-p-Toluic Acid";MM00626;COCc1ccc(C(=O)O)cc1;OORFINRYBCDBEN-UHFFFAOYSA-N;166.18;1.53;308473;;;;DOPC;CCM18;25;-1;;;;;;;;;;-28.19;;;;;;;;;;;;"in-house calculations";"in-house calculations"
"Alpha-Methoxy-p-Toluic Acid";MM00626;COCc1ccc(C(=O)O)cc1;OORFINRYBCDBEN-UHFFFAOYSA-N;166.18;1.53;308473;;;;DOPC;CCM18;25;0;;;;;;;;;;-0.67;;;;;;;;;;;;"in-house calculations";"in-house calculations"
"1-Naphthoic Acid";MM00592;O=C(O)c1cccc2ccccc12;LNETULKMXZVUST-UHFFFAOYSA-N;172.18;2.54;6847;;;;DOPC;CCM18;25;-1;;;;;;;;;;-26.34;;;;;;;;;;;;"in-house calculations";"in-house calculations"
"5-Aminolevulinic Acid";MM00714;NCC(=O)CCC(=O)O;ZGXJTSGNIOSYLO-UHFFFAOYSA-N;131.13;-0.62;137;DB00855;;CHEMBL601;DOPC;CCM18;25;0;;;;;;;;;;-4.8;;;;;;;;;;;;"in-house calculations";"in-house calculations"
"2-Naphthoic Acid";MM00601;O=C(O)c1ccc2ccccc2c1;UOBYKYZJUGYBDK-UHFFFAOYSA-N;172.18;2.54;7123;;;114648;DOPC;CCM18;25;-1;;;;;;;;;;-26.1;;;;;;;;;;;;"in-house calculations";"in-house calculations"
"Biochanin A";MM00632;COc1ccc(-c2coc3cc(O)cc(O)c3c2=O)cc1;WUADCCWRTIWANL-UHFFFAOYSA-N;284.27;2.88;5280373;;;;DOPC;CCM18;25;0;;;;;;;;;;-0.38;;;;;;;;;;;;"in-house calculations";"in-house calculations"
"Alpha-Carbamoyl-methylhippuric Acid";MM00615;Cc1ccc(C(=O)NC(C(N)=O)C(=O)O)cc1;XJHVEOWGYHOARJ-UHFFFAOYSA-N;236.23;-0.34;54472514;;;;DOPC;CCM18;25;-1;;;;;;;;;;-22.03;;;;;;;;;;;;"in-house calculations";"in-house calculations"
"Alpha-Carbamoyl-p-Toluic Acid";MM01303;NC(=O)Cc1ccc(C(=O)O)cc1;YMKXCDDRWMQOBA-UHFFFAOYSA-N;179.18;0.41;23273690;;;;DOPC;CCM18;25;-1;;;;;;;;;;-25.62;;;;;;;;;;;;"in-house calculations";"in-house calculations"
"Alpha-Chloro-p-methylhippuric Acid";MM00619;Cc1ccc(C(=O)NC(Cl)C(=O)O)cc1;JYSJDCPCSAHBNY-UHFFFAOYSA-N;227.65;1.37;129821671;;;;DOPC;CCM18;25;-1;;;;;;;;;;-25.4;;;;;;;;;;;;"in-house calculations";"in-house calculations"
"4-carboxymethylphenyl Acetyl-Gly-NMe2";MM01304;CN(C)C(=O)CNC(=O)Cc1ccc(C(=O)O)cc1;GDAMBRWKLGWCQC-UHFFFAOYSA-N;264.28;0.13;;;;;DOPC;CCM18;25;-1;;;;;;;;;;-21.55;;;;;;;;;;;;"in-house calculations";"in-house calculations"
"4-carboxymethylphenyl Acetyl_NHMe";MM01305;CNC(=O)Cc1ccc(C(=O)O)cc1;YPRZYKHZGFQSPK-UHFFFAOYSA-N;193.2;0.67;;;;;DOPC;CCM18;25;-1;;;;;;;;;;-25.25;;;;;;;;;;;;"in-house calculations";"in-house calculations"
"Alpha-Cyano-p-methylhippuric Acid";MM00621;Cc1ccc(C(=O)NC(C#N)C(=O)O)cc1;ALQYGLQIKVIMRP-UHFFFAOYSA-N;218.21;0.7;129821670;;;;DOPC;CCM18;25;-1;;;;;;;;;;-24.26;;;;;;;;;;;;"in-house calculations";"in-house calculations"
CNV97100;MM00727;CC1CN(c2cc3c(cc2F)c(=O)c(C(=O)O)cn3C2CC2)CCN1.O=C(O)C(F)(F)F;URJUNYOPXJPQGS-UHFFFAOYSA-N;459.4;2.61;46781144;;;;DOPC;CCM18;25;0;;;;;;;;;;-3.77;;;;;;;;;;;;"in-house calculations";"in-house calculations"
MM476474;MM476474;CCN1CCN(c2cc3c(cc2F)c(=O)c(C(=O)O)cn3C2CC2)C[C@H]1C;POMKZSJIYNWBRP-GFCCVEGCSA-N;373.43;2.7;;;;;DOPC;CCM18;25;0;;;;;;;;;;-2.11;;;;;;;;;;;;"in-house calculations";"in-house calculations"
MM476475;MM476475;CCCN1CCN(c2cc3c(cc2F)c(=O)c(C(=O)O)cn3C2CC2)C[C@H]1C;WPGHZQMHNTXSAF-CYBMUJFWSA-N;387.46;3.09;;;;;DOPC;CCM18;25;0;;;;;;;;;;-1.8;;;;;;;;;;;;"in-house calculations";"in-house calculations"
MM476476;MM476476;CCCCN1CCN(c2cc3c(cc2F)c(=O)c(C(=O)O)cn3C2CC2)C[C@H]1C;QPVCGSGGZMAACV-CQSZACIVSA-N;401.48;3.48;;;;;DOPC;CCM18;25;0;;;;;;;;;;-0.78;;;;;;;;;;;;"in-house calculations";"in-house calculations"
DMP-450;MM00358;Nc1cccc(CN2C(=O)N(Cc3cccc(N)c3)[C@H](Cc3ccccc3)[C@H](O)[C@@H](O)[C@H]2Cc2ccccc2)c1;KYRSNWPSSXSNEP-ZRTHHSRSSA-N;536.68;4.23;154044;DB02102;DMQ;CHEMBL223824;DOPC;CCM18;25;0;;;;;;;;;;-1.74;;;;;;;;;;;;"in-house calculations";"in-house calculations"
MM476477;MM476477;NCC(=O)N1CCC[C@H]1C(=O)O;KZNQNBZMBZJQJO-YFKPBYRVSA-N;172.18;-0.98;;;;;DOPC;CCM18;25;0;;;;;;;;;;-3.19;;;;;;;;;;;;"in-house calculations";"in-house calculations"
"2-[(2-aminoacetyl)-methylamino]acetic acid";MM00740;CN(CC(=O)O)C(=O)CN;VYAMLSCELQQRAE-UHFFFAOYSA-N;146.15;-1.51;93131;;;;DOPC;CCM18;25;0;;;;;;;;;;-6.61;;;;;;;;;;;;"in-house calculations";"in-house calculations"
MM476478;MM476478;O=C(O)CNC(=O)c1ccc(CO)cc1;PUGNMJQWASGYRI-UHFFFAOYSA-N;209.2;-0.01;;;;;DOPC;CCM18;25;-1;;;;;;;;;;-26.97;;;;;;;;;;;;"in-house calculations";"in-house calculations"
MM476479;MM476479;COCc1ccc(C(=O)NCC(=O)O)cc1;QYJPIRDOGBXKAT-UHFFFAOYSA-N;223.23;0.65;;;;;DOPC;CCM18;25;0;;;;;;;;;;-3.58;;;;;;;;;;;;"in-house calculations";"in-house calculations"
Montelukast;MM00669;CC(C)(O)c1ccccc1CCC(SCC1(CC(=O)O)CC1)c1cccc(C=Cc2ccc3ccc(Cl)cc3n2)c1;UCHDWCPVSPXUMX-UHFFFAOYSA-N;586.2;8.95;5281040;DB00471;MTK;CHEMBL787;DOPC;CCM18;25;-1;;;;;;;;;;-8.99;;;;;;;;;;;;"in-house calculations";"in-house calculations"
"4-Methylphenylacetic Acid";MM00611;Cc1ccc(CC(=O)O)cc1;GXXXUZIRGXYDFP-UHFFFAOYSA-N;150.18;1.62;248474;;;;DOPC;CCM18;25;-1;;;;;;;;;;-27.29;;;;;;;;;;;;"in-house calculations";"in-house calculations"
Tol-Ala;MM00695;Cc1ccc(C(=O)N[C@@H](C)C(=O)O)cc1;LUQFCOKRPYVJGV-QMMMGPOBSA-N;207.23;1.2;702949;;;;DOPC;CCM18;25;-1;;;;;;;;;;-23.86;;;;;;;;;;;;"in-house calculations";"in-house calculations"
Tol-Gly;MM00698;Cc1ccc(C(=O)NCC(=O)O)cc1;NRSCPTLHWVWLLH-UHFFFAOYSA-N;193.2;0.81;97479;;;;DOPC;CCM18;25;-1;;;;;;;;;;-26.53;;;;;;;;;;;;"in-house calculations";"in-house calculations"
Tol-Gly-Gly;MM00699;Cc1ccc(C(=O)NCC(=O)NCC(=O)O)cc1;GFMIXHRADKOCKD-UHFFFAOYSA-N;250.25;-0.07;1612474;;;;DOPC;CCM18;25;-1;;;;;;;;;;-22.33;;;;;;;;;;;;"in-house calculations";"in-house calculations"
Tol-Gly-Gly-Gly;MM00700;Cc1ccc(C(=O)NCC(=O)NCC(=O)NCC(=O)O)cc1;OQIOHQJDADAQRO-UHFFFAOYSA-N;307.31;-0.96;;;;;DOPC;CCM18;25;-1;;;;;;;;;;-17.64;;;;;;;;;;;;"in-house calculations";"in-house calculations"
Tol-Gly-Gly-Sar;MM00701;Cc1ccc(C(=O)NCC(=O)NCC(=O)N(C)CC(=O)O)cc1;GPOXNQMQXBXEJG-UHFFFAOYSA-N;321.33;-0.62;;;;;DOPC;CCM18;25;-1;;;;;;;;;;-19.28;;;;;;;;;;;;"in-house calculations";"in-house calculations"
Tol-Gly-Sar;MM00702;Cc1ccc(C(=O)NCC(=O)N(C)CC(=O)O)cc1;LKGQGAPFEYAOCE-UHFFFAOYSA-N;264.28;0.27;43356167;;;;DOPC;CCM18;25;-1;;;;;;;;;;-21.27;;;;;;;;;;;;"in-house calculations";"in-house calculations"
Tol-Gly-Sar-Gly;MM00703;Cc1ccc(C(=O)NCC(=O)N(C)CC(=O)NCC(=O)O)cc1;VDLFQRLCHVTMPD-UHFFFAOYSA-N;321.33;-0.62;;;;;DOPC;CCM18;25;-1;;;;;;;;;;-21.17;;;;;;;;;;;;"in-house calculations";"in-house calculations"
Tol-Sar;MM00704;Cc1ccc(C(=O)N(C)CC(=O)O)cc1;WKEPQHRTXMIHLM-UHFFFAOYSA-N;207.23;1.15;16777360;;;;DOPC;CCM18;25;-1;;;;;;;;;;-24.74;;;;;;;;;;;;"in-house calculations";"in-house calculations"
Tol-Sar-Gly;MM00705;Cc1ccc(C(=O)N(C)CC(=O)NCC(=O)O)cc1;JDZZMSKJRWYDMH-UHFFFAOYSA-N;264.28;0.27;;;;;DOPC;CCM18;25;-1;;;;;;;;;;-24.3;;;;;;;;;;;;"in-house calculations";"in-house calculations"
Tol-Sar-Gly-Gly;MM00706;Cc1ccc(C(=O)N(C)CC(=O)NCC(=O)NCC(=O)O)cc1;GQINUZIFINBVAM-UHFFFAOYSA-N;321.33;-0.62;;;;;DOPC;CCM18;25;-1;;;;;;;;;;-19.57;;;;;;;;;;;;"in-house calculations";"in-house calculations"
Tol-Sar-Sar-Gly;MM00707;Cc1ccc(C(=O)N(C)CC(=O)N(C)CC(=O)NCC(=O)O)cc1;GQJNIDFZAHXWIX-UHFFFAOYSA-N;335.36;-0.27;;;;;DOPC;CCM18;25;-1;;;;;;;;;;-17.33;;;;;;;;;;;;"in-house calculations";"in-house calculations"
1-[(2-chlorophenyl)-diphenylmethyl]imidazole;MM00468;Clc1ccccc1C(c1ccccc1)(c1ccccc1)n1ccnc1;VNFPBHJOKIVQEB-UHFFFAOYSA-N;344.85;5.38;2812;DB00257;CL6;CHEMBL104;LEC;CPMM;25;+1;"<a href=https://permm.phar.umich.edu/  target=_blank>PerMM web server</a>";;;;;;;;;4.13;;;;;;;;;;;;"Lomize AL, Pogozheva ID.: Physics-Based Method for Modeling Passive Membrane Permeability and Translocation Pathways of Bioactive Molecules. J Chem Inf Model, Volume 59 (7), 2019";"PerMM web server"
2-[3-[4-(3-chlorophenyl)piperazin-1-yl]propyl]-[1,2,4]triazolo[4,3-a]pyridin-3-one;MM00576;O=c1n(CCCN2CCN(c3cccc(Cl)c3)CC2)nc2ccccn12;PHLBKPHSAVXXEF-UHFFFAOYSA-N;371.87;2.36;5533;DB00656;;CHEMBL621;LEC;CPMM;25;+1;"<a href=https://permm.phar.umich.edu/  target=_blank>PerMM web server</a>";;;;;;;;;-0.97;;;;;;;;;;;;"Lomize AL, Pogozheva ID.: Physics-Based Method for Modeling Passive Membrane Permeability and Translocation Pathways of Bioactive Molecules. J Chem Inf Model, Volume 59 (7), 2019";"PerMM web server"
CP-141938;MM00471;COc1ccc(N(C)S(C)(=O)=O)cc1CNC1CCCNC1c1ccccc1;GZLOIBNBDUHEFY-UHFFFAOYSA-N;403.55;2.67;10363809;;;;LEC;CPMM;25;+1;"<a href=https://permm.phar.umich.edu/  target=_blank>PerMM web server</a>";;;;;;;;;-1.91;;;;;;;;;;;;"Lomize AL, Pogozheva ID.: Physics-Based Method for Modeling Passive Membrane Permeability and Translocation Pathways of Bioactive Molecules. J Chem Inf Model, Volume 59 (7), 2019";"PerMM web server"
Ammonia;MM00445;N;QGZKDVFQNNGYKY-UHFFFAOYSA-N;17.03;0.16;222;DB11118;;;LEC;CPMM;25;+1;"<a href=https://permm.phar.umich.edu/  target=_blank>PerMM web server</a>";;;;;;;;;-3.51;;;;;;;;;;;;"Lomize AL, Pogozheva ID.: Physics-Based Method for Modeling Passive Membrane Permeability and Translocation Pathways of Bioactive Molecules. J Chem Inf Model, Volume 59 (7), 2019";"PerMM web server"
Cefadroxil;MM00718;CC1=C(C(=O)O)N2C(=O)C(NC(=O)C(N)c3ccc(O)cc3)C2SC1;BOEGTKLJZSQCCD-UHFFFAOYSA-N;363.4;0.15;47965;DB01140;;CHEMBL1644;LEC;CPMM;25;0;"<a href=https://permm.phar.umich.edu/  target=_blank>PerMM web server</a>";;;;;;;;;-9.89;;;;;;;;;;;;"Lomize AL, Pogozheva ID.: Physics-Based Method for Modeling Passive Membrane Permeability and Translocation Pathways of Bioactive Molecules. J Chem Inf Model, Volume 59 (7), 2019";"PerMM web server"
"2,4-Dihydroxybenzoic Acid";MM00595;O=C(O)c1ccc(O)cc1O;UIAFKZKHHVMJGS-UHFFFAOYSA-N;154.12;0.8;1491;DB02839;DOB;CHEMBL328910;LEC;CPMM;25;0;"<a href=https://permm.phar.umich.edu/  target=_blank>PerMM web server</a>";;;;;;;;;-4.58;;;;;;;;;;;;"Lomize AL, Pogozheva ID.: Physics-Based Method for Modeling Passive Membrane Permeability and Translocation Pathways of Bioactive Molecules. J Chem Inf Model, Volume 59 (7), 2019";"PerMM web server"
2-Deoxyadenosine;MM00320;Nc1ncnc2c1ncn2[C@H]1C[C@H](O)[C@@H](CO)O1;OLXZPDWKRNYJJZ-RRKCRQDMSA-N;251.25;-0.95;13730;;;;LEC;CPMM;25;0;"<a href=https://permm.phar.umich.edu/  target=_blank>PerMM web server</a>";;;;;;;;;-8.78;;;;;;;;;;;;"Lomize AL, Pogozheva ID.: Physics-Based Method for Modeling Passive Membrane Permeability and Translocation Pathways of Bioactive Molecules. J Chem Inf Model, Volume 59 (7), 2019";"PerMM web server"
Acebutolol;MM00437;CCCC(=O)Nc1ccc(OCC(O)CNC(C)C)c(C(C)=O)c1;GOEMGAFJFRBGGG-OAHLLOKOSA-N;336.43;2.37;1978;DB01193;;CHEMBL642;LEC;CPMM;25;0;"<a href=https://permm.phar.umich.edu/  target=_blank>PerMM web server</a>";;;;;;;;;-2.22;;;;;;;;;;;;"Lomize AL, Pogozheva ID.: Physics-Based Method for Modeling Passive Membrane Permeability and Translocation Pathways of Bioactive Molecules. J Chem Inf Model, Volume 59 (7), 2019";"PerMM web server"
Acetamide;MM00321;CC(N)=O;DLFVBJFMPXGRIB-UHFFFAOYSA-N;59.07;-0.51;178;DB02736;ACM;CHEMBL16081;LEC;CPMM;25;0;"<a href=https://permm.phar.umich.edu/  target=_blank>PerMM web server</a>";;;;;;;;;-3.1;;;;;;;;;;;;"Lomize AL, Pogozheva ID.: Physics-Based Method for Modeling Passive Membrane Permeability and Translocation Pathways of Bioactive Molecules. J Chem Inf Model, Volume 59 (7), 2019";"PerMM web server"
Acetaminophen;MM00322;CC(=O)Nc1ccc(O)cc1;RZVAJINKPMORJF-UHFFFAOYSA-N;151.17;1.35;1983;DB00316;TYL;CHEMBL112;LEC;CPMM;25;0;"<a href=https://permm.phar.umich.edu/  target=_blank>PerMM web server</a>";;;;;;;;;-2.32;;;;;;;;;;;;"Lomize AL, Pogozheva ID.: Physics-Based Method for Modeling Passive Membrane Permeability and Translocation Pathways of Bioactive Molecules. J Chem Inf Model, Volume 59 (7), 2019";"PerMM web server"
"Acetic Acid";MM00613;CC(=O)O;QTBSBXVTEAMEQO-UHFFFAOYSA-N;60.05;0.09;176;DB03166;ACY;CHEMBL539;LEC;CPMM;25;0;"<a href=https://permm.phar.umich.edu/  target=_blank>PerMM web server</a>";;;;;;;;;-2.04;;;;;;;;;;;;"Lomize AL, Pogozheva ID.: Physics-Based Method for Modeling Passive Membrane Permeability and Translocation Pathways of Bioactive Molecules. J Chem Inf Model, Volume 59 (7), 2019";"PerMM web server"
"Acetylsalicylic Acid";MM00080;CC(=O)Oc1ccccc1C(=O)O;BSYNRYMUTXBXSQ-UHFFFAOYSA-N;180.16;1.31;2244;DB00945;AIN;CHEMBL25;LEC;CPMM;25;0;"<a href=https://permm.phar.umich.edu/  target=_blank>PerMM web server</a>";;;;;;;;;0.14;;;;;;;;;;;;"Lomize AL, Pogozheva ID.: Physics-Based Method for Modeling Passive Membrane Permeability and Translocation Pathways of Bioactive Molecules. J Chem Inf Model, Volume 59 (7), 2019";"PerMM web server"
9-hyroxyethoxymethylguanine;MM00074;Nc1nc(=O)c2ncn(COCCO)c2[nH]1;MKUXAQIIEYXACX-UHFFFAOYSA-N;225.21;-1.33;2022;DB00787;AC2;CHEMBL184;LEC;CPMM;25;0;"<a href=https://permm.phar.umich.edu/  target=_blank>PerMM web server</a>";;;;;;;;;-10.92;;;;;;;;;;;;"Lomize AL, Pogozheva ID.: Physics-Based Method for Modeling Passive Membrane Permeability and Translocation Pathways of Bioactive Molecules. J Chem Inf Model, Volume 59 (7), 2019";"PerMM web server"
Adenine;MM00324;Nc1ncnc2nc[nH]c12;GFFGJBXGBJISGV-UHFFFAOYSA-N;135.13;-0.06;190;DB00173;ADE;CHEMBL226345;LEC;CPMM;25;0;"<a href=https://permm.phar.umich.edu/  target=_blank>PerMM web server</a>";;;;;;;;;-4.69;;;;;;;;;;;;"Lomize AL, Pogozheva ID.: Physics-Based Method for Modeling Passive Membrane Permeability and Translocation Pathways of Bioactive Molecules. J Chem Inf Model, Volume 59 (7), 2019";"PerMM web server"
L-Alanine;MM00743;C[C@H](N)C(=O)O;QNAYBMKLOCPYGJ-REOHCLBHSA-N;89.09;-0.58;5950;DB00160;ALA;CHEMBL279597;LEC;CPMM;25;0;"<a href=https://permm.phar.umich.edu/  target=_blank>PerMM web server</a>";;;;;;;;;-4.07;;;;;;;;;;;;"Lomize AL, Pogozheva ID.: Physics-Based Method for Modeling Passive Membrane Permeability and Translocation Pathways of Bioactive Molecules. J Chem Inf Model, Volume 59 (7), 2019";"PerMM web server"
Alfuzosin;MM00328;COc1cc2nc(N(C)CCCNC(=O)C3CCCO3)nc(N)c2cc1OC;WNMJYKCGWZFFKR-UHFFFAOYSA-N;389.46;1.35;2092;DB00346;;CHEMBL709;LEC;CPMM;25;0;"<a href=https://permm.phar.umich.edu/  target=_blank>PerMM web server</a>";;;;;;;;;-6.29;;;;;;;;;;;;"Lomize AL, Pogozheva ID.: Physics-Based Method for Modeling Passive Membrane Permeability and Translocation Pathways of Bioactive Molecules. J Chem Inf Model, Volume 59 (7), 2019";"PerMM web server"
Alprenolol;MM00440;C=CCc1ccccc1OCC(O)CNC(C)C;PAZJSJFMUHDSTF-CQSZACIVSA-N;249.35;2.15;2119;DB00866;;CHEMBL266195;LEC;CPMM;25;0;"<a href=https://permm.phar.umich.edu/  target=_blank>PerMM web server</a>";;;;;;;;;2.18;;;;;;;;;;;;"Lomize AL, Pogozheva ID.: Physics-Based Method for Modeling Passive Membrane Permeability and Translocation Pathways of Bioactive Molecules. J Chem Inf Model, Volume 59 (7), 2019";"PerMM web server"
Adamantan-1-amine;MM00441;N[C@]12C[C@H]3C[C@H](C[C@H](C3)C1)C2;DKNWSYNQZKUICI-CHIWXEEVSA-N;151.25;1.91;2130;DB00915;;CHEMBL660;LEC;CPMM;25;0;"<a href=https://permm.phar.umich.edu/  target=_blank>PerMM web server</a>";;;;;;;;;1.55;;;;;;;;;;;;"Lomize AL, Pogozheva ID.: Physics-Based Method for Modeling Passive Membrane Permeability and Translocation Pathways of Bioactive Molecules. J Chem Inf Model, Volume 59 (7), 2019";"PerMM web server"
Amiloride;MM00267;N=C(N)NC(=O)c1nc(Cl)c(N)nc1N;XSDQTOBWRPYKKA-UHFFFAOYSA-N;229.63;-1.08;16231;DB00594;AMR;CHEMBL945;LEC;CPMM;25;0;"<a href=https://permm.phar.umich.edu/  target=_blank>PerMM web server</a>";;;;;;;;;-9.29;;;;;;;;;;;;"Lomize AL, Pogozheva ID.: Physics-Based Method for Modeling Passive Membrane Permeability and Translocation Pathways of Bioactive Molecules. J Chem Inf Model, Volume 59 (7), 2019";"PerMM web server"
4-[(7-chloroquinolin-4-yl)amino]-2-(diethylaminomethyl)phenol;MM00446;CCN(CC)Cc1cc(Nc2ccnc3cc(Cl)ccc23)ccc1O;OVCDSSHSILBFBN-UHFFFAOYSA-N;355.87;5.18;2165;DB00613;CQA;CHEMBL682;LEC;CPMM;25;0;"<a href=https://permm.phar.umich.edu/  target=_blank>PerMM web server</a>";;;;;;;;;-1;;;;;;;;;;;;"Lomize AL, Pogozheva ID.: Physics-Based Method for Modeling Passive Membrane Permeability and Translocation Pathways of Bioactive Molecules. J Chem Inf Model, Volume 59 (7), 2019";"PerMM web server"
8-chloro-6-piperazin-1-ylbenzo[b][1,4]benzoxazepine;MM00447;Clc1ccc2c(c1)C(N1CCNCC1)=Nc1ccccc1O2;QWGDMFLQWFTERH-UHFFFAOYSA-N;313.79;3.43;2170;DB00543;;CHEMBL1113;LEC;CPMM;25;0;"<a href=https://permm.phar.umich.edu/  target=_blank>PerMM web server</a>";;;;;;;;;-0.15;;;;;;;;;;;;"Lomize AL, Pogozheva ID.: Physics-Based Method for Modeling Passive Membrane Permeability and Translocation Pathways of Bioactive Molecules. J Chem Inf Model, Volume 59 (7), 2019";"PerMM web server"
Amoxicillin;MM00716;CC1(C)S[C@@H]2[C@H](NC(=O)[C@H](N)c3ccc(O)cc3)C(=O)N2[C@H]1C(=O)O;LSQZJLSUYDQPKJ-NJBDSQKTSA-N;365.41;0.02;33613;DB01060;;CHEMBL1082;LEC;CPMM;25;0;"<a href=https://permm.phar.umich.edu/  target=_blank>PerMM web server</a>";;;;;;;;;-9.06;;;;;;;;;;;;"Lomize AL, Pogozheva ID.: Physics-Based Method for Modeling Passive Membrane Permeability and Translocation Pathways of Bioactive Molecules. J Chem Inf Model, Volume 59 (7), 2019";"PerMM web server"
Ampicillin;MM00627;CC1(C)S[C@@H]2[C@H](NC(=O)[C@H](N)c3ccccc3)C(=O)N2[C@H]1C(=O)O;AVKUERGKIZMTKX-NJBDSQKTSA-N;349.41;0.32;6249;DB00415;AIC;CHEMBL174;LEC;CPMM;25;0;"<a href=https://permm.phar.umich.edu/  target=_blank>PerMM web server</a>";;;;;;;;;-6.29;;;;;;;;;;;;"Lomize AL, Pogozheva ID.: Physics-Based Method for Modeling Passive Membrane Permeability and Translocation Pathways of Bioactive Molecules. J Chem Inf Model, Volume 59 (7), 2019";"PerMM web server"
"2-Aminobenzoic Acid";MM00596;Nc1ccccc1C(=O)O;RWZYAGGXGHYGMB-UHFFFAOYSA-N;137.14;0.97;227;DB04166;BE2;CHEMBL14173;LEC;CPMM;25;0;"<a href=https://permm.phar.umich.edu/  target=_blank>PerMM web server</a>";;;;;;;;;-1.62;;;;;;;;;;;;"Lomize AL, Pogozheva ID.: Physics-Based Method for Modeling Passive Membrane Permeability and Translocation Pathways of Bioactive Molecules. J Chem Inf Model, Volume 59 (7), 2019";"PerMM web server"
Antipyrine;MM00333;Cc1cc(=O)n(-c2ccccc2)n1C;VEQOALNAAJBPNY-UHFFFAOYSA-N;188.23;1.48;2206;DB01435;;CHEMBL277474;LEC;CPMM;25;0;"<a href=https://permm.phar.umich.edu/  target=_blank>PerMM web server</a>";;;;;;;;;0.76;;;;;;;;;;;;"Lomize AL, Pogozheva ID.: Physics-Based Method for Modeling Passive Membrane Permeability and Translocation Pathways of Bioactive Molecules. J Chem Inf Model, Volume 59 (7), 2019";"PerMM web server"
Atenolol;MM00078;CC(C)NCC(O)COc1ccc(CC(N)=O)cc1;METKIMKYRPQLGS-GFCCVEGCSA-N;266.34;0.45;2249;DB00335;;CHEMBL24;LEC;CPMM;25;0;"<a href=https://permm.phar.umich.edu/  target=_blank>PerMM web server</a>";;;;;;;;;-2.79;;;;;;;;;;;;"Lomize AL, Pogozheva ID.: Physics-Based Method for Modeling Passive Membrane Permeability and Translocation Pathways of Bioactive Molecules. J Chem Inf Model, Volume 59 (7), 2019";"PerMM web server"
"Benzoic Acid";MM00630;O=C(O)c1ccccc1;WPYMKLBDIGXBTP-UHFFFAOYSA-N;122.12;1.38;243;DB03793;BEZ;CHEMBL541;LEC;CPMM;25;0;"<a href=https://permm.phar.umich.edu/  target=_blank>PerMM web server</a>";;;;;;;;;-0.43;;;;;;;;;;;;"Lomize AL, Pogozheva ID.: Physics-Based Method for Modeling Passive Membrane Permeability and Translocation Pathways of Bioactive Molecules. J Chem Inf Model, Volume 59 (7), 2019";"PerMM web server"
Bromocriptine;MM00338;CC(C)C[C@H]1C(=O)N2CCC[C@H]2[C@]2(O)O[C@](NC(=O)[C@@H]3C=C4c5cccc6[nH]c(Br)c(c56)C[C@H]4N(C)C3)(C(C)C)C(=O)N12;OZVBMTJYIDMWIL-AYFBDAFISA-N;654.61;3.19;31101;DB01200;08Y;CHEMBL493;LEC;CPMM;25;0;"<a href=https://permm.phar.umich.edu/  target=_blank>PerMM web server</a>";;;;;;;;;-3.29;;;;;;;;;;;;"Lomize AL, Pogozheva ID.: Physics-Based Method for Modeling Passive Membrane Permeability and Translocation Pathways of Bioactive Molecules. J Chem Inf Model, Volume 59 (7), 2019";"PerMM web server"
3-(4-bromophenyl)-N,N-dimethyl-3-pyridin-2-ylpropan-1-amine;MM00453;CN(C)CC[C@@H](c1ccc(Br)cc1)c1ccccn1;ZDIGNSYAACHWNL-HNNXBMFYSA-N;319.25;3.93;6834;DB00835;;CHEMBL811;LEC;CPMM;25;0;"<a href=https://permm.phar.umich.edu/  target=_blank>PerMM web server</a>";;;;;;;;;1.74;;;;;;;;;;;;"Lomize AL, Pogozheva ID.: Physics-Based Method for Modeling Passive Membrane Permeability and Translocation Pathways of Bioactive Molecules. J Chem Inf Model, Volume 59 (7), 2019";"PerMM web server"
"Butyric Acid";MM00634;CCCC(=O)O;FERIUCNNQQJTOY-UHFFFAOYSA-N;88.11;0.87;264;DB03568;BUA;CHEMBL14227;LEC;CPMM;25;0;"<a href=https://permm.phar.umich.edu/  target=_blank>PerMM web server</a>";;;;;;;;;-1.17;;;;;;;;;;;;"Lomize AL, Pogozheva ID.: Physics-Based Method for Modeling Passive Membrane Permeability and Translocation Pathways of Bioactive Molecules. J Chem Inf Model, Volume 59 (7), 2019";"PerMM web server"
Carbamazepine;MM00341;NC(=O)N1c2ccccc2C=Cc2ccccc21;FFGPTBGBLSHEPO-UHFFFAOYSA-N;236.27;3.39;2554;DB00564;;CHEMBL108;LEC;CPMM;25;0;"<a href=https://permm.phar.umich.edu/  target=_blank>PerMM web server</a>";;;;;;;;;0.56;;;;;;;;;;;;"Lomize AL, Pogozheva ID.: Physics-Based Method for Modeling Passive Membrane Permeability and Translocation Pathways of Bioactive Molecules. J Chem Inf Model, Volume 59 (7), 2019";"PerMM web server"
Cefaclor;MM00717;NC(C(=O)NC1C(=O)N2C(C(=O)O)=C(Cl)CSC12)c1ccccc1;QYIYFLOTGYLRGG-UHFFFAOYSA-N;367.81;0.62;51039;DB00833;;CHEMBL680;LEC;CPMM;25;0;"<a href=https://permm.phar.umich.edu/  target=_blank>PerMM web server</a>";;;;;;;;;-7.85;;;;;;;;;;;;"Lomize AL, Pogozheva ID.: Physics-Based Method for Modeling Passive Membrane Permeability and Translocation Pathways of Bioactive Molecules. J Chem Inf Model, Volume 59 (7), 2019";"PerMM web server"
Ceftibuten;MM00637;Nc1nc(C(=CCC(=O)O)C(=O)NC2C(=O)N3C(C(=O)O)=CCSC23)cs1;UNJFKXSSGBWRBZ-UHFFFAOYSA-N;410.43;-0.05;5282242;DB01415;;CHEMBL1605;LEC;CPMM;25;0;"<a href=https://permm.phar.umich.edu/  target=_blank>PerMM web server</a>";;;;;;;;;-11.2;;;;;;;;;;;;"Lomize AL, Pogozheva ID.: Physics-Based Method for Modeling Passive Membrane Permeability and Translocation Pathways of Bioactive Molecules. J Chem Inf Model, Volume 59 (7), 2019";"PerMM web server"
Cephalexin;MM00721;CC1=C(C(=O)O)N2C(=O)C(NC(=O)C(N)c3ccccc3)C2SC1;ZAIPMKNFIOOWCQ-UHFFFAOYSA-N;347.4;0.44;27447;DB00567;;CHEMBL1727;LEC;CPMM;25;0;"<a href=https://permm.phar.umich.edu/  target=_blank>PerMM web server</a>";;;;;;;;;-7.08;;;;;;;;;;;;"Lomize AL, Pogozheva ID.: Physics-Based Method for Modeling Passive Membrane Permeability and Translocation Pathways of Bioactive Molecules. J Chem Inf Model, Volume 59 (7), 2019";"PerMM web server"
Cephradine;MM00723;CC1=C(C(=O)O)N2C(=O)C(NC(=O)C(N)C3=CCC=CC3)C2SC1;RDLPVSKMFDYCOR-UHFFFAOYSA-N;349.41;0.35;38103;DB01333;;CHEMBL1604;LEC;CPMM;25;0;"<a href=https://permm.phar.umich.edu/  target=_blank>PerMM web server</a>";;;;;;;;;-6.95;;;;;;;;;;;;"Lomize AL, Pogozheva ID.: Physics-Based Method for Modeling Passive Membrane Permeability and Translocation Pathways of Bioactive Molecules. J Chem Inf Model, Volume 59 (7), 2019";"PerMM web server"
Chlorambucil;MM00640;O=C(O)CCCc1ccc(N(CCCl)CCCl)cc1;JCKYGMPEJWAADB-UHFFFAOYSA-N;304.22;3.38;2708;DB00291;CBL;CHEMBL515;LEC;CPMM;25;0;"<a href=https://permm.phar.umich.edu/  target=_blank>PerMM web server</a>";;;;;;;;;-0.39;;;;;;;;;;;;"Lomize AL, Pogozheva ID.: Physics-Based Method for Modeling Passive Membrane Permeability and Translocation Pathways of Bioactive Molecules. J Chem Inf Model, Volume 59 (7), 2019";"PerMM web server"
Chloramphenicol;MM00342;O=C(NC(CO)C(O)c1ccc([N+](=O)[O-])cc1)C(Cl)Cl;WIIZWVCIJKGZOK-UHFFFAOYSA-N;323.13;0.91;5959;DB00446;CLM;CHEMBL130;LEC;CPMM;25;0;"<a href=https://permm.phar.umich.edu/  target=_blank>PerMM web server</a>";;;;;;;;;-5.06;;;;;;;;;;;;"Lomize AL, Pogozheva ID.: Physics-Based Method for Modeling Passive Membrane Permeability and Translocation Pathways of Bioactive Molecules. J Chem Inf Model, Volume 59 (7), 2019";"PerMM web server"
"Chloroacetic Acid";MM00032;O=C(O)CCl;FOCAUTSVDIKZOP-UHFFFAOYSA-N;94.5;0.31;300;;;;LEC;CPMM;25;0;"<a href=https://permm.phar.umich.edu/  target=_blank>PerMM web server</a>";;;;;;;;;-2.62;;;;;;;;;;;;"Lomize AL, Pogozheva ID.: Physics-Based Method for Modeling Passive Membrane Permeability and Translocation Pathways of Bioactive Molecules. J Chem Inf Model, Volume 59 (7), 2019";"PerMM web server"
N4-(7-chloro-quinolin-4-yl)-n1,n1-diethyl-pentane-1,4-diamine;MM00459;CCN(CC)CCCC(C)Nc1ccnc2cc(Cl)ccc12;WHTVZRBIWZFKQO-UHFFFAOYSA-N;319.88;4.81;2719;DB00608;CLQ;CHEMBL76;LEC;CPMM;25;0;"<a href=https://permm.phar.umich.edu/  target=_blank>PerMM web server</a>";;;;;;;;;1.78;;;;;;;;;;;;"Lomize AL, Pogozheva ID.: Physics-Based Method for Modeling Passive Membrane Permeability and Translocation Pathways of Bioactive Molecules. J Chem Inf Model, Volume 59 (7), 2019";"PerMM web server"
Chlorpheniramine;MM00460;CN(C)CCC(c1ccc(Cl)cc1)c1ccccn1;SOYKEARSMXGVTM-UHFFFAOYSA-N;274.8;3.82;2725;DB01114;;CHEMBL505;LEC;CPMM;25;0;"<a href=https://permm.phar.umich.edu/  target=_blank>PerMM web server</a>";;;;;;;;;1.49;;;;;;;;;;;;"Lomize AL, Pogozheva ID.: Physics-Based Method for Modeling Passive Membrane Permeability and Translocation Pathways of Bioactive Molecules. J Chem Inf Model, Volume 59 (7), 2019";"PerMM web server"
Cimetidine;MM00463;CN=C(NC#N)NCCSCc1nc[nH]c1C;AQIXAKUUQRKLND-UHFFFAOYSA-N;252.35;0.6;2756;DB00501;;CHEMBL30;LEC;CPMM;25;0;"<a href=https://permm.phar.umich.edu/  target=_blank>PerMM web server</a>";;;;;;;;;-3.66;;;;;;;;;;;;"Lomize AL, Pogozheva ID.: Physics-Based Method for Modeling Passive Membrane Permeability and Translocation Pathways of Bioactive Molecules. J Chem Inf Model, Volume 59 (7), 2019";"PerMM web server"
Ciprofloxacin;MM00726;O=C(O)c1cn(C2CC2)c2cc(N3CCNCC3)c(F)cc2c1=O;MYSWGUAQZAJSOK-UHFFFAOYSA-N;331.35;1.58;2764;DB00537;CPF;CHEMBL8;LEC;CPMM;25;0;"<a href=https://permm.phar.umich.edu/  target=_blank>PerMM web server</a>";;;;;;;;;-4.6;;;;;;;;;;;;"Lomize AL, Pogozheva ID.: Physics-Based Method for Modeling Passive Membrane Permeability and Translocation Pathways of Bioactive Molecules. J Chem Inf Model, Volume 59 (7), 2019";"PerMM web server"
1-[3-(dimethylamino)propyl]-1-(4-fluorophenyl)-3H-2-benzofuran-5-carbonitrile;MM00465;CN(C)CCCC1(c2ccc(F)cc2)OCc2cc(C#N)ccc21;WSEQXVZVJXJVFP-UHFFFAOYSA-N;324.4;3.81;2771;DB00215;;CHEMBL549;LEC;CPMM;25;0;"<a href=https://permm.phar.umich.edu/  target=_blank>PerMM web server</a>";;;;;;;;;-1.19;;;;;;;;;;;;"Lomize AL, Pogozheva ID.: Physics-Based Method for Modeling Passive Membrane Permeability and Translocation Pathways of Bioactive Molecules. J Chem Inf Model, Volume 59 (7), 2019";"PerMM web server"
(2R)-2-[2-[(1R)-1-(4-chlorophenyl)-1-phenylethoxy]ethyl]-1-methylpyrrolidine;MM00466;CN1CCCC1CCOC(C)(c1ccccc1)c1ccc(Cl)cc1;YNNUSGIPVFPVBX-UHFFFAOYSA-N;343.9;5.1;26987;DB00283;;CHEMBL1626;LEC;CPMM;25;0;"<a href=https://permm.phar.umich.edu/  target=_blank>PerMM web server</a>";;;;;;;;;3.83;;;;;;;;;;;;"Lomize AL, Pogozheva ID.: Physics-Based Method for Modeling Passive Membrane Permeability and Translocation Pathways of Bioactive Molecules. J Chem Inf Model, Volume 59 (7), 2019";"PerMM web server"
Clonidine;MM00344;Clc1cccc(Cl)c1NC1=NCCN1;GJSURZIOUXUGAL-UHFFFAOYSA-N;230.1;2.17;2803;DB00575;CLU;CHEMBL134;LEC;CPMM;25;0;"<a href=https://permm.phar.umich.edu/  target=_blank>PerMM web server</a>";;;;;;;;;-2.09;;;;;;;;;;;;"Lomize AL, Pogozheva ID.: Physics-Based Method for Modeling Passive Membrane Permeability and Translocation Pathways of Bioactive Molecules. J Chem Inf Model, Volume 59 (7), 2019";"PerMM web server"
2-amino-3-methyl-4H-imidazol-5-one;MM00348;CN1CC(=O)N=C1N;DDRJAANPRJIHGJ-UHFFFAOYSA-N;113.12;-1.23;588;DB11846;;CHEMBL65567;LEC;CPMM;25;0;"<a href=https://permm.phar.umich.edu/  target=_blank>PerMM web server</a>";;;;;;;;;-6.67;;;;;;;;;;;;"Lomize AL, Pogozheva ID.: Physics-Based Method for Modeling Passive Membrane Permeability and Translocation Pathways of Bioactive Molecules. J Chem Inf Model, Volume 59 (7), 2019";"PerMM web server"
Desipramine;MM00474;CNCCCN1c2ccccc2CCc2ccccc21;HCYAFALTSJYZDH-UHFFFAOYSA-N;266.39;3.53;2995;DB01151;DSM;CHEMBL72;LEC;CPMM;25;0;"<a href=https://permm.phar.umich.edu/  target=_blank>PerMM web server</a>";;;;;;;;;2.63;;;;;;;;;;;;"Lomize AL, Pogozheva ID.: Physics-Based Method for Modeling Passive Membrane Permeability and Translocation Pathways of Bioactive Molecules. J Chem Inf Model, Volume 59 (7), 2019";"PerMM web server"
Dexamethasone;MM00355;C[C@@H]1C[C@H]2[C@@H]3CCC4=CC(=O)C=C[C@]4(C)[C@@]3(F)[C@@H](O)C[C@]2(C)[C@@]1(O)C(=O)CO;UREBDLICKHMUKA-CXSFZGCWSA-N;392.47;1.9;5743;DB01234;DEX;CHEMBL384467;LEC;CPMM;25;0;"<a href=https://permm.phar.umich.edu/  target=_blank>PerMM web server</a>";;;;;;;;;-5.68;;;;;;;;;;;;"Lomize AL, Pogozheva ID.: Physics-Based Method for Modeling Passive Membrane Permeability and Translocation Pathways of Bioactive Molecules. J Chem Inf Model, Volume 59 (7), 2019";"PerMM web server"
D-Glucose;MM00352;OCC1OC(O)C(O)C(O)C1O;WQZGKKKJIJFFOK-GASJEMHNSA-N;180.16;-3.22;5793;;;CHEMBL1222250;LEC;CPMM;25;0;"<a href=https://permm.phar.umich.edu/  target=_blank>PerMM web server</a>";;;;;;;;;-12.14;;;;;;;;;;;;"Lomize AL, Pogozheva ID.: Physics-Based Method for Modeling Passive Membrane Permeability and Translocation Pathways of Bioactive Molecules. J Chem Inf Model, Volume 59 (7), 2019";"PerMM web server"
Diazepam;MM00094;CN1C(=O)CN=C(c2ccccc2)c2cc(Cl)ccc21;AAOVKJBEBIDNHE-UHFFFAOYSA-N;284.75;3.15;3016;DB00829;DZP;CHEMBL12;LEC;CPMM;25;0;"<a href=https://permm.phar.umich.edu/  target=_blank>PerMM web server</a>";;;;;;;;;-0.45;;;;;;;;;;;;"Lomize AL, Pogozheva ID.: Physics-Based Method for Modeling Passive Membrane Permeability and Translocation Pathways of Bioactive Molecules. J Chem Inf Model, Volume 59 (7), 2019";"PerMM web server"
Diclofenac;MM00090;O=C(O)Cc1ccccc1Nc1c(Cl)cccc1Cl;DCOPUUMXTXDBNB-UHFFFAOYSA-N;296.15;4.36;3033;DB00586;DIF;CHEMBL139;LEC;CPMM;25;0;"<a href=https://permm.phar.umich.edu/  target=_blank>PerMM web server</a>";;;;;;;;;-0.87;;;;;;;;;;;;"Lomize AL, Pogozheva ID.: Physics-Based Method for Modeling Passive Membrane Permeability and Translocation Pathways of Bioactive Molecules. J Chem Inf Model, Volume 59 (7), 2019";"PerMM web server"
Digoxin;MM00357;CC1OC(OC2C(O)CC(OC3C(O)CC(OC4CCC5(C)C(CCC6C5CC(O)C5(C)C(C7=CC(=O)OC7)CCC65O)C4)OC3C)OC2C)CC(O)C1O;LTMHDMANZUZIPE-UHFFFAOYSA-N;780.95;2.22;2724385;DB00390;DGX;CHEMBL1751;LEC;CPMM;25;0;"<a href=https://permm.phar.umich.edu/  target=_blank>PerMM web server</a>";;;;;;;;;-6.54;;;;;;;;;;;;"Lomize AL, Pogozheva ID.: Physics-Based Method for Modeling Passive Membrane Permeability and Translocation Pathways of Bioactive Molecules. J Chem Inf Model, Volume 59 (7), 2019";"PerMM web server"
Diltiazem;MM00477;COc1ccc(C2Sc3ccccc3N(CCN(C)C)C(=O)C2OC(C)=O)cc1;HSUGRBWQSSZJOP-UHFFFAOYSA-N;414.53;3.37;39186;DB00343;;CHEMBL23;LEC;CPMM;25;0;"<a href=https://permm.phar.umich.edu/  target=_blank>PerMM web server</a>";;;;;;;;;-1.07;;;;;;;;;;;;"Lomize AL, Pogozheva ID.: Physics-Based Method for Modeling Passive Membrane Permeability and Translocation Pathways of Bioactive Molecules. J Chem Inf Model, Volume 59 (7), 2019";"PerMM web server"
Diphenhydramine;MM00478;CN(C)CCOC(c1ccccc1)c1ccccc1;ZZVUWRFHKOJYTH-UHFFFAOYSA-N;255.36;3.35;3100;DB01075;2PM;CHEMBL657;LEC;CPMM;25;0;"<a href=https://permm.phar.umich.edu/  target=_blank>PerMM web server</a>";;;;;;;;;2.98;;;;;;;;;;;;"Lomize AL, Pogozheva ID.: Physics-Based Method for Modeling Passive Membrane Permeability and Translocation Pathways of Bioactive Molecules. J Chem Inf Model, Volume 59 (7), 2019";"PerMM web server"
Dipyridamole;MM00479;OCCN(CCO)c1nc(N2CCCCC2)c2nc(N(CCO)CCO)nc(N3CCCCC3)c2n1;IZEKFCXSFNUWAM-UHFFFAOYSA-N;504.64;-0.02;3108;DB00975;;CHEMBL932;LEC;CPMM;25;0;"<a href=https://permm.phar.umich.edu/  target=_blank>PerMM web server</a>";;;;;;;;;-7.93;;;;;;;;;;;;"Lomize AL, Pogozheva ID.: Physics-Based Method for Modeling Passive Membrane Permeability and Translocation Pathways of Bioactive Molecules. J Chem Inf Model, Volume 59 (7), 2019";"PerMM web server"
Domperidone;MM00481;O=c1[nH]c2ccccc2n1CCCN1CCC(n2c(=O)[nH]c3cc(Cl)ccc32)CC1;FGXWKSZFVQUSTL-UHFFFAOYSA-N;425.92;3.35;3151;DB01184;;CHEMBL219916;LEC;CPMM;25;0;"<a href=https://permm.phar.umich.edu/  target=_blank>PerMM web server</a>";;;;;;;;;-3.23;;;;;;;;;;;;"Lomize AL, Pogozheva ID.: Physics-Based Method for Modeling Passive Membrane Permeability and Translocation Pathways of Bioactive Molecules. J Chem Inf Model, Volume 59 (7), 2019";"PerMM web server"
L-dopamine;MM00483;NCCc1ccc(O)c(O)c1;VYFYYTLLBUKUHU-UHFFFAOYSA-N;153.18;0.6;681;DB00988;LDP;CHEMBL59;LEC;CPMM;25;0;"<a href=https://permm.phar.umich.edu/  target=_blank>PerMM web server</a>";;;;;;;;;-3.68;;;;;;;;;;;;"Lomize AL, Pogozheva ID.: Physics-Based Method for Modeling Passive Membrane Permeability and Translocation Pathways of Bioactive Molecules. J Chem Inf Model, Volume 59 (7), 2019";"PerMM web server"
Doxorubicin;MM00485;COc1cccc2c1C(=O)c1c(O)c3c(c(O)c1C2=O)CC(O)(C(=O)CO)CC3OC1CC(N)C(O)C(C)O1;AOJJSUZBOXZQNB-TZSSRYMLSA-N;543.53;;31703;DB00997;DM2;CHEMBL53463;LEC;CPMM;25;0;"<a href=https://permm.phar.umich.edu/  target=_blank>PerMM web server</a>";;;;;;;;;-13.28;;;;;;;;;;;;"Lomize AL, Pogozheva ID.: Physics-Based Method for Modeling Passive Membrane Permeability and Translocation Pathways of Bioactive Molecules. J Chem Inf Model, Volume 59 (7), 2019";"PerMM web server"
Enalaprilat;MM00732;CC(NC(CCc1ccccc1)C(=O)O)C(=O)N1CCCC1C(=O)O;LZFZMUMEGBBDTC-UHFFFAOYSA-N;348.4;1.13;5462501;DB09477;EAL;CHEMBL577;LEC;CPMM;25;0;"<a href=https://permm.phar.umich.edu/  target=_blank>PerMM web server</a>";;;;;;;;;-2.06;;;;;;;;;;;;"Lomize AL, Pogozheva ID.: Physics-Based Method for Modeling Passive Membrane Permeability and Translocation Pathways of Bioactive Molecules. J Chem Inf Model, Volume 59 (7), 2019";"PerMM web server"
(1R,2S)-2-(methylamino)-1-phenylpropan-1-ol;MM00486;CN[C@@H](C)[C@H](O)c1ccccc1;KWGRBVOPPLSCSI-WPRPVWTQSA-N;165.24;1.33;9294;DB01364;;CHEMBL211456;LEC;CPMM;25;0;"<a href=https://permm.phar.umich.edu/  target=_blank>PerMM web server</a>";;;;;;;;;-0.04;;;;;;;;;;;;"Lomize AL, Pogozheva ID.: Physics-Based Method for Modeling Passive Membrane Permeability and Translocation Pathways of Bioactive Molecules. J Chem Inf Model, Volume 59 (7), 2019";"PerMM web server"
Meso-erythritol;MM00068;OC[C@H](O)[C@H](O)CO;UNXHWFMMPAWVPI-ZXZARUISSA-N;122.12;-2.31;222285;DB04481;MRY;CHEMBL349605;LEC;CPMM;25;0;"<a href=https://permm.phar.umich.edu/  target=_blank>PerMM web server</a>";;;;;;;;;-9.08;;;;;;;;;;;;"Lomize AL, Pogozheva ID.: Physics-Based Method for Modeling Passive Membrane Permeability and Translocation Pathways of Bioactive Molecules. J Chem Inf Model, Volume 59 (7), 2019";"PerMM web server"
Erythromycin;MM00489;CCC1OC(=O)C(C)C(OC2CC(C)(OC)C(O)C(C)O2)C(C)C(OC2OC(C)CC(N(C)C)C2O)C(C)(O)CC(C)C(=O)C(C)C(O)C1(C)O;ULGZDMOVFRHVEP-UHFFFAOYSA-N;733.94;1.79;12560;DB00199;ERY;CHEMBL532;LEC;CPMM;25;0;"<a href=https://permm.phar.umich.edu/  target=_blank>PerMM web server</a>";;;;;;;;;-4.77;;;;;;;;;;;;"Lomize AL, Pogozheva ID.: Physics-Based Method for Modeling Passive Membrane Permeability and Translocation Pathways of Bioactive Molecules. J Chem Inf Model, Volume 59 (7), 2019";"PerMM web server"
Estradiol;MM00197;CC12CCC3c4ccc(O)cc4CCC3C1CCC2O;VOXZDWNPVJITMN-UHFFFAOYSA-N;272.39;3.61;5757;DB00783;EST;CHEMBL135;LEC;CPMM;25;0;"<a href=https://permm.phar.umich.edu/  target=_blank>PerMM web server</a>";;;;;;;;;0.76;;;;;;;;;;;;"Lomize AL, Pogozheva ID.: Physics-Based Method for Modeling Passive Membrane Permeability and Translocation Pathways of Bioactive Molecules. J Chem Inf Model, Volume 59 (7), 2019";"PerMM web server"
Ethanol;MM00060;CCO;LFQSCWFLJHTTHZ-UHFFFAOYSA-N;46.07;;702;DB00898;EOH;CHEMBL545;LEC;CPMM;25;0;"<a href=https://permm.phar.umich.edu/  target=_blank>PerMM web server</a>";;;;;;;;;-1.31;;;;;;;;;;;;"Lomize AL, Pogozheva ID.: Physics-Based Method for Modeling Passive Membrane Permeability and Translocation Pathways of Bioactive Molecules. J Chem Inf Model, Volume 59 (7), 2019";"PerMM web server"
3-ethyl-3-methylpyrrolidine-2,5-dione;MM00359;CCC1(C)CC(=O)NC1=O;HAPOVYFOVVWLRS-UHFFFAOYSA-N;141.17;0.45;3291;DB00593;;CHEMBL696;LEC;CPMM;25;0;"<a href=https://permm.phar.umich.edu/  target=_blank>PerMM web server</a>";;;;;;;;;-3.13;;;;;;;;;;;;"Lomize AL, Pogozheva ID.: Physics-Based Method for Modeling Passive Membrane Permeability and Translocation Pathways of Bioactive Molecules. J Chem Inf Model, Volume 59 (7), 2019";"PerMM web server"
Ethanamine;MM00491;CCN;QUSNBJAOOMFDIB-UHFFFAOYSA-N;45.09;-0.04;6341;;;;LEC;CPMM;25;0;"<a href=https://permm.phar.umich.edu/  target=_blank>PerMM web server</a>";;;;;;;;;-1.04;;;;;;;;;;;;"Lomize AL, Pogozheva ID.: Physics-Based Method for Modeling Passive Membrane Permeability and Translocation Pathways of Bioactive Molecules. J Chem Inf Model, Volume 59 (7), 2019";"PerMM web server"
Etoposide;MM00361;COc1cc(C2c3cc4c(cc3C(OC3OC5COC(C)OC5C(O)C3O)C3COC(=O)C23)OCO4)cc(OC)c1O;VJJPUSNTGOMMGY-UHFFFAOYSA-N;588.56;1.34;36462;DB00773;EVP;CHEMBL44657;LEC;CPMM;25;0;"<a href=https://permm.phar.umich.edu/  target=_blank>PerMM web server</a>";;;;;;;;;-10.79;;;;;;;;;;;;"Lomize AL, Pogozheva ID.: Physics-Based Method for Modeling Passive Membrane Permeability and Translocation Pathways of Bioactive Molecules. J Chem Inf Model, Volume 59 (7), 2019";"PerMM web server"
Famciclovir;MM00362;CC(=O)OCC(CCn1cnc2cnc(N)nc21)COC(C)=O;GGXKWVWZWMLJEH-UHFFFAOYSA-N;321.34;0.54;3324;DB00426;;CHEMBL880;LEC;CPMM;25;0;"<a href=https://permm.phar.umich.edu/  target=_blank>PerMM web server</a>";;;;;;;;;-5.98;;;;;;;;;;;;"Lomize AL, Pogozheva ID.: Physics-Based Method for Modeling Passive Membrane Permeability and Translocation Pathways of Bioactive Molecules. J Chem Inf Model, Volume 59 (7), 2019";"PerMM web server"
Famotidine;MM00079;NC(N)=Nc1nc(CSCCC(N)=NS(N)(=O)=O)cs1;XUFQPHANEAPEMJ-UHFFFAOYSA-N;337.46;-0.77;5702160;DB00927;;CHEMBL902;LEC;CPMM;25;0;"<a href=https://permm.phar.umich.edu/  target=_blank>PerMM web server</a>";;;;;;;;;-8.56;;;;;;;;;;;;"Lomize AL, Pogozheva ID.: Physics-Based Method for Modeling Passive Membrane Permeability and Translocation Pathways of Bioactive Molecules. J Chem Inf Model, Volume 59 (7), 2019";"PerMM web server"
Fentanyl;MM00493;CCC(=O)N(c1ccccc1)C1CCN(CCc2ccccc2)CC1;PJMPHNIQZUBGLI-UHFFFAOYSA-N;336.48;4.14;3345;DB00813;7V7;CHEMBL596;LEC;CPMM;25;0;"<a href=https://permm.phar.umich.edu/  target=_blank>PerMM web server</a>";;;;;;;;;3.98;;;;;;;;;;;;"Lomize AL, Pogozheva ID.: Physics-Based Method for Modeling Passive Membrane Permeability and Translocation Pathways of Bioactive Molecules. J Chem Inf Model, Volume 59 (7), 2019";"PerMM web server"
Fexofenadine;MM00735;CC(C)(C(=O)O)c1ccc(C(O)CCCN2CCC(C(O)(c3ccccc3)c3ccccc3)CC2)cc1;RWTNPBWLLIMQHL-UHFFFAOYSA-N;501.67;5.51;3348;DB00950;;CHEMBL914;LEC;CPMM;25;0;"<a href=https://permm.phar.umich.edu/  target=_blank>PerMM web server</a>";;;;;;;;;0.87;;;;;;;;;;;;"Lomize AL, Pogozheva ID.: Physics-Based Method for Modeling Passive Membrane Permeability and Translocation Pathways of Bioactive Molecules. J Chem Inf Model, Volume 59 (7), 2019";"PerMM web server"
2-phenylchromen-4-one;MM00364;O=c1cc(-c2ccccc2)oc2ccccc12;VHBFFQKBGNRLFZ-UHFFFAOYSA-N;222.24;3.46;10680;DB07776;FLN;CHEMBL275638;LEC;CPMM;25;0;"<a href=https://permm.phar.umich.edu/  target=_blank>PerMM web server</a>";;;;;;;;;2.41;;;;;;;;;;;;"Lomize AL, Pogozheva ID.: Physics-Based Method for Modeling Passive Membrane Permeability and Translocation Pathways of Bioactive Molecules. J Chem Inf Model, Volume 59 (7), 2019";"PerMM web server"
Flumequine;MM00646;CC1CCc2cc(F)cc3c(=O)c(C(=O)O)cn1c23;DPSPPJIUMHPXMA-UHFFFAOYSA-N;261.25;2.35;3374;DB08972;;CHEMBL370252;LEC;CPMM;25;0;"<a href=https://permm.phar.umich.edu/  target=_blank>PerMM web server</a>";;;;;;;;;-1.67;;;;;;;;;;;;"Lomize AL, Pogozheva ID.: Physics-Based Method for Modeling Passive Membrane Permeability and Translocation Pathways of Bioactive Molecules. J Chem Inf Model, Volume 59 (7), 2019";"PerMM web server"
"2-(6-hydroxy-3-oxo-3h-xanthen-9-yl)-benzoic acid";MM00054;O=C1OC2(c3ccc(O)cc3Oc3cc(O)ccc32)c2ccccc21;GNBHRKFJIUUOQI-UHFFFAOYSA-N;332.31;3.67;16850;DB00693;FLU;CHEMBL1057;LEC;CPMM;25;0;"<a href=https://permm.phar.umich.edu/  target=_blank>PerMM web server</a>";;;;;;;;;-2.84;;;;;;;;;;;;"Lomize AL, Pogozheva ID.: Physics-Based Method for Modeling Passive Membrane Permeability and Translocation Pathways of Bioactive Molecules. J Chem Inf Model, Volume 59 (7), 2019";"PerMM web server"
Fluoxetine;MM00082;CNCCC(Oc1ccc(C(F)(F)F)cc1)c1ccccc1;RTHCYVBBDHJXIQ-UHFFFAOYSA-N;309.33;4.44;3386;DB00472;;CHEMBL41;LEC;CPMM;25;0;"<a href=https://permm.phar.umich.edu/  target=_blank>PerMM web server</a>";;;;;;;;;2.1;;;;;;;;;;;;"Lomize AL, Pogozheva ID.: Physics-Based Method for Modeling Passive Membrane Permeability and Translocation Pathways of Bioactive Molecules. J Chem Inf Model, Volume 59 (7), 2019";"PerMM web server"
Formamide;MM00365;NC=O;ZHNUHDYFZUAESO-UHFFFAOYSA-N;45.04;-0.9;713;;;;LEC;CPMM;25;0;"<a href=https://permm.phar.umich.edu/  target=_blank>PerMM web server</a>";;;;;;;;;-4.16;;;;;;;;;;;;"Lomize AL, Pogozheva ID.: Physics-Based Method for Modeling Passive Membrane Permeability and Translocation Pathways of Bioactive Molecules. J Chem Inf Model, Volume 59 (7), 2019";"PerMM web server"
"Formic Acid";MM00649;O=CO;BDAGIHXWWSANSR-UHFFFAOYSA-N;46.03;-0.3;284;DB01942;FMT;CHEMBL116736;LEC;CPMM;25;0;"<a href=https://permm.phar.umich.edu/  target=_blank>PerMM web server</a>";;;;;;;;;-2.79;;;;;;;;;;;;"Lomize AL, Pogozheva ID.: Physics-Based Method for Modeling Passive Membrane Permeability and Translocation Pathways of Bioactive Molecules. J Chem Inf Model, Volume 59 (7), 2019";"PerMM web server"
Furosemide;MM00083;NS(=O)(=O)c1cc(C(=O)O)c(NCc2ccco2)cc1Cl;ZZUFCTLCJUWOSV-UHFFFAOYSA-N;330.75;1.89;3440;DB00695;FUN;CHEMBL35;LEC;CPMM;25;0;"<a href=https://permm.phar.umich.edu/  target=_blank>PerMM web server</a>";;;;;;;;;-5.36;;;;;;;;;;;;"Lomize AL, Pogozheva ID.: Physics-Based Method for Modeling Passive Membrane Permeability and Translocation Pathways of Bioactive Molecules. J Chem Inf Model, Volume 59 (7), 2019";"PerMM web server"
Gabapentin;MM00737;NCC1(CC(=O)O)CCCCC1;UGJMXCAKCUNAIE-UHFFFAOYSA-N;171.24;1.37;3446;DB00996;GBN;CHEMBL940;LEC;CPMM;25;0;"<a href=https://permm.phar.umich.edu/  target=_blank>PerMM web server</a>";;;;;;;;;-2.08;;;;;;;;;;;;"Lomize AL, Pogozheva ID.: Physics-Based Method for Modeling Passive Membrane Permeability and Translocation Pathways of Bioactive Molecules. J Chem Inf Model, Volume 59 (7), 2019";"PerMM web server"
9-(1,3-dihydroxy-propoxymethane)guanine;MM00367;Nc1nc(O)c2ncn(COC(CO)CO)c2n1;IRSCQMHQWWYFCW-UHFFFAOYSA-N;255.23;-1.56;3454;DB01004;GA2;CHEMBL182;LEC;CPMM;25;0;"<a href=https://permm.phar.umich.edu/  target=_blank>PerMM web server</a>";;;;;;;;;-13.06;;;;;;;;;;;;"Lomize AL, Pogozheva ID.: Physics-Based Method for Modeling Passive Membrane Permeability and Translocation Pathways of Bioactive Molecules. J Chem Inf Model, Volume 59 (7), 2019";"PerMM web server"
Genistein;MM00368;O=c1c(-c2ccc(O)cc2)coc2cc(O)cc(O)c12;TZBJGXHYKVUXJN-UHFFFAOYSA-N;270.24;2.58;5280961;DB01645;GEN;CHEMBL44;LEC;CPMM;25;0;"<a href=https://permm.phar.umich.edu/  target=_blank>PerMM web server</a>";;;;;;;;;-4.49;;;;;;;;;;;;"Lomize AL, Pogozheva ID.: Physics-Based Method for Modeling Passive Membrane Permeability and Translocation Pathways of Bioactive Molecules. J Chem Inf Model, Volume 59 (7), 2019";"PerMM web server"
Glipizide;MM00651;Cc1cnc(C(=O)NCCc2ccc(S(=O)(=O)NC(=O)NC3CCCCC3)cc2)cn1;ZJJXGWJIGJFDTL-UHFFFAOYSA-N;445.55;2.08;3478;DB01067;;CHEMBL1073;LEC;CPMM;25;0;"<a href=https://permm.phar.umich.edu/  target=_blank>PerMM web server</a>";;;;;;;;;-4.73;;;;;;;;;;;;"Lomize AL, Pogozheva ID.: Physics-Based Method for Modeling Passive Membrane Permeability and Translocation Pathways of Bioactive Molecules. J Chem Inf Model, Volume 59 (7), 2019";"PerMM web server"
Glycerol;MM00067;OCC(O)CO;PEDCQBHIVMGVHV-UHFFFAOYSA-N;92.09;-1.67;753;DB09462;GOL;CHEMBL692;LEC;CPMM;25;0;"<a href=https://permm.phar.umich.edu/  target=_blank>PerMM web server</a>";;;;;;;;;-7.02;;;;;;;;;;;;"Lomize AL, Pogozheva ID.: Physics-Based Method for Modeling Passive Membrane Permeability and Translocation Pathways of Bioactive Molecules. J Chem Inf Model, Volume 59 (7), 2019";"PerMM web server"
Glycine;MM00741;NCC(=O)O;DHMQDGOQFOQNFH-UHFFFAOYSA-N;75.07;-0.97;750;DB00145;GLY;CHEMBL773;LEC;CPMM;25;0;"<a href=https://permm.phar.umich.edu/  target=_blank>PerMM web server</a>";;;;;;;;;-5.34;;;;;;;;;;;;"Lomize AL, Pogozheva ID.: Physics-Based Method for Modeling Passive Membrane Permeability and Translocation Pathways of Bioactive Molecules. J Chem Inf Model, Volume 59 (7), 2019";"PerMM web server"
Grepafloxacin;MM00742;Cc1c(F)c(N2CCNC(C)C2)cc2c1c(=O)c(C(=O)O)cn2C1CC1;AIJTTZAVMXIJGM-UHFFFAOYSA-N;359.4;2.28;72474;DB00365;;CHEMBL583;LEC;CPMM;25;0;"<a href=https://permm.phar.umich.edu/  target=_blank>PerMM web server</a>";;;;;;;;;-2.91;;;;;;;;;;;;"Lomize AL, Pogozheva ID.: Physics-Based Method for Modeling Passive Membrane Permeability and Translocation Pathways of Bioactive Molecules. J Chem Inf Model, Volume 59 (7), 2019";"PerMM web server"
Guanabenz;MM00497;NC(N)=NN=Cc1c(Cl)cccc1Cl;WDZVGELJXXEGPV-UHFFFAOYSA-N;231.09;1.81;5702063;DB00629;;CHEMBL420;LEC;CPMM;25;0;"<a href=https://permm.phar.umich.edu/  target=_blank>PerMM web server</a>";;;;;;;;;-3.7;;;;;;;;;;;;"Lomize AL, Pogozheva ID.: Physics-Based Method for Modeling Passive Membrane Permeability and Translocation Pathways of Bioactive Molecules. J Chem Inf Model, Volume 59 (7), 2019";"PerMM web server"
"Caproic Acid";MM00636;CCCCCC(=O)O;FUZZWVXGSFPDMH-UHFFFAOYSA-N;116.16;1.65;8892;;;;LEC;CPMM;25;0;"<a href=https://permm.phar.umich.edu/  target=_blank>PerMM web server</a>";;;;;;;;;-0.4;;;;;;;;;;;;"Lomize AL, Pogozheva ID.: Physics-Based Method for Modeling Passive Membrane Permeability and Translocation Pathways of Bioactive Molecules. J Chem Inf Model, Volume 59 (7), 2019";"PerMM web server"
Hydrochlorothiazide;MM00373;NS(=O)(=O)c1cc2c(cc1Cl)NCNS2(=O)=O;JZUFKLXOESDKRF-UHFFFAOYSA-N;297.75;-0.35;3639;DB00999;HCZ;CHEMBL435;LEC;CPMM;25;0;"<a href=https://permm.phar.umich.edu/  target=_blank>PerMM web server</a>";;;;;;;;;-9.36;;;;;;;;;;;;"Lomize AL, Pogozheva ID.: Physics-Based Method for Modeling Passive Membrane Permeability and Translocation Pathways of Bioactive Molecules. J Chem Inf Model, Volume 59 (7), 2019";"PerMM web server"
Hydrocortisone;MM00044;CC12CCC(=O)C=C1CCC1C2C(O)CC2(C)C1CCC2(O)C(=O)CO;JYGXADMDTFJGBT-UHFFFAOYSA-N;362.47;1.78;5754;DB00741;HCY;CHEMBL389621;LEC;CPMM;25;0;"<a href=https://permm.phar.umich.edu/  target=_blank>PerMM web server</a>";;;;;;;;;-5.09;;;;;;;;;;;;"Lomize AL, Pogozheva ID.: Physics-Based Method for Modeling Passive Membrane Permeability and Translocation Pathways of Bioactive Molecules. J Chem Inf Model, Volume 59 (7), 2019";"PerMM web server"
Hydroxyurea;MM00374;NC(=O)NO;VSNHCAURESNICA-UHFFFAOYSA-N;76.06;-0.96;3657;DB01005;NHY;CHEMBL467;LEC;CPMM;25;0;"<a href=https://permm.phar.umich.edu/  target=_blank>PerMM web server</a>";;;;;;;;;-4.4;;;;;;;;;;;;"Lomize AL, Pogozheva ID.: Physics-Based Method for Modeling Passive Membrane Permeability and Translocation Pathways of Bioactive Molecules. J Chem Inf Model, Volume 59 (7), 2019";"PerMM web server"
2-[2-[4-[(4-chlorophenyl)-phenylmethyl]piperazin-1-yl]ethoxy]ethanol;MM00502;OCCOCCN1CCN(C(c2ccccc2)c2ccc(Cl)cc2)CC1;ZQDWXGKKHFNSQK-UHFFFAOYSA-N;374.91;3.06;3658;DB00557;;CHEMBL896;LEC;CPMM;25;0;"<a href=https://permm.phar.umich.edu/  target=_blank>PerMM web server</a>";;;;;;;;;-1;;;;;;;;;;;;"Lomize AL, Pogozheva ID.: Physics-Based Method for Modeling Passive Membrane Permeability and Translocation Pathways of Bioactive Molecules. J Chem Inf Model, Volume 59 (7), 2019";"PerMM web server"
Hypoxanthine;MM00375;O=c1nc[nH]c2nc[nH]c12;FDGQSTZJBFJUBT-UHFFFAOYSA-N;136.11;-0.35;790;DB04076;HPA;CHEMBL1427;LEC;CPMM;25;0;"<a href=https://permm.phar.umich.edu/  target=_blank>PerMM web server</a>";;;;;;;;;-6.18;;;;;;;;;;;;"Lomize AL, Pogozheva ID.: Physics-Based Method for Modeling Passive Membrane Permeability and Translocation Pathways of Bioactive Molecules. J Chem Inf Model, Volume 59 (7), 2019";"PerMM web server"
Imipramine;MM00504;CN(C)CCCN1c2ccccc2CCc2ccccc21;BCGWQEUPMDMJNV-UHFFFAOYSA-N;280.42;3.88;3696;DB00458;IXX;CHEMBL11;LEC;CPMM;25;0;"<a href=https://permm.phar.umich.edu/  target=_blank>PerMM web server</a>";;;;;;;;;2.7;;;;;;;;;;;;"Lomize AL, Pogozheva ID.: Physics-Based Method for Modeling Passive Membrane Permeability and Translocation Pathways of Bioactive Molecules. J Chem Inf Model, Volume 59 (7), 2019";"PerMM web server"
Indinavir;MM00505;CC(C)(C)NC(=O)C1CN(Cc2cccnc2)CCN1CC(O)CC(Cc1ccccc1)C(=O)NC1c2ccccc2CC1O;CBVCZFGXHXORBI-UHFFFAOYSA-N;613.8;2.87;5362440;DB00224;MK1;CHEMBL115;LEC;CPMM;25;0;"<a href=https://permm.phar.umich.edu/  target=_blank>PerMM web server</a>";;;;;;;;;-2.28;;;;;;;;;;;;"Lomize AL, Pogozheva ID.: Physics-Based Method for Modeling Passive Membrane Permeability and Translocation Pathways of Bioactive Molecules. J Chem Inf Model, Volume 59 (7), 2019";"PerMM web server"
Indomethacin;MM00656;COc1ccc2c(c1)c(CC(=O)O)c(C)n2C(=O)c1ccc(Cl)cc1;CGIGDMFJXJATDK-UHFFFAOYSA-N;357.79;3.93;3715;DB00328;IMN;CHEMBL6;LEC;CPMM;25;0;"<a href=https://permm.phar.umich.edu/  target=_blank>PerMM web server</a>";;;;;;;;;-2.38;;;;;;;;;;;;"Lomize AL, Pogozheva ID.: Physics-Based Method for Modeling Passive Membrane Permeability and Translocation Pathways of Bioactive Molecules. J Chem Inf Model, Volume 59 (7), 2019";"PerMM web server"
"Isobutyric Acid";MM00658;CC(C)C(=O)O;KQNPFQTWMSNSAP-UHFFFAOYSA-N;88.11;0.73;6590;DB02531;ALQ;CHEMBL108778;LEC;CPMM;25;0;"<a href=https://permm.phar.umich.edu/  target=_blank>PerMM web server</a>";;;;;;;;;-0.92;;;;;;;;;;;;"Lomize AL, Pogozheva ID.: Physics-Based Method for Modeling Passive Membrane Permeability and Translocation Pathways of Bioactive Molecules. J Chem Inf Model, Volume 59 (7), 2019";"PerMM web server"
N'-benzyl-5-methyl-1,2-oxazole-3-carbohydrazide;MM00379;Cc1cc(C(=O)NNCc2ccccc2)no1;XKFPYPQQHFEXRZ-UHFFFAOYSA-N;231.26;1.42;3759;DB01247;;;LEC;CPMM;25;0;"<a href=https://permm.phar.umich.edu/  target=_blank>PerMM web server</a>";;;;;;;;;0.42;;;;;;;;;;;;"Lomize AL, Pogozheva ID.: Physics-Based Method for Modeling Passive Membrane Permeability and Translocation Pathways of Bioactive Molecules. J Chem Inf Model, Volume 59 (7), 2019";"PerMM web server"
"Isovaleric Acid";MM00659;CC(C)CC(=O)O;GWYFCOCPABKNJV-UHFFFAOYSA-N;102.13;1.12;10430;DB03750;IVA;CHEMBL568737;LEC;CPMM;25;0;"<a href=https://permm.phar.umich.edu/  target=_blank>PerMM web server</a>";;;;;;;;;-0.69;;;;;;;;;;;;"Lomize AL, Pogozheva ID.: Physics-Based Method for Modeling Passive Membrane Permeability and Translocation Pathways of Bioactive Molecules. J Chem Inf Model, Volume 59 (7), 2019";"PerMM web server"
Ketoprofen;MM00662;CC(C(=O)O)c1cccc(C(=O)c2ccccc2)c1;DKYWVDODHFEZIM-UHFFFAOYSA-N;254.29;3.11;3825;DB01009;;CHEMBL571;LEC;CPMM;25;0;"<a href=https://permm.phar.umich.edu/  target=_blank>PerMM web server</a>";;;;;;;;;-0.03;;;;;;;;;;;;"Lomize AL, Pogozheva ID.: Physics-Based Method for Modeling Passive Membrane Permeability and Translocation Pathways of Bioactive Molecules. J Chem Inf Model, Volume 59 (7), 2019";"PerMM web server"
Labetalol;MM00507;CC(CCc1ccccc1)NCC(O)c1ccc(O)c(C(N)=O)c1;SGUAFYQXFOLMHL-UHFFFAOYSA-N;328.41;2.14;3869;DB00598;;CHEMBL429;LEC;CPMM;25;0;"<a href=https://permm.phar.umich.edu/  target=_blank>PerMM web server</a>";;;;;;;;;-1.55;;;;;;;;;;;;"Lomize AL, Pogozheva ID.: Physics-Based Method for Modeling Passive Membrane Permeability and Translocation Pathways of Bioactive Molecules. J Chem Inf Model, Volume 59 (7), 2019";"PerMM web server"
Lamotrigine;MM00383;Nc1nnc(-c2cccc(Cl)c2Cl)c(N)n1;PYZRQGJRPPTADH-UHFFFAOYSA-N;256.1;2.01;3878;DB00555;;CHEMBL741;LEC;CPMM;25;0;"<a href=https://permm.phar.umich.edu/  target=_blank>PerMM web server</a>";;;;;;;;;-4.9;;;;;;;;;;;;"Lomize AL, Pogozheva ID.: Physics-Based Method for Modeling Passive Membrane Permeability and Translocation Pathways of Bioactive Molecules. J Chem Inf Model, Volume 59 (7), 2019";"PerMM web server"
Lansoprazole;MM00384;Cc1c(OCC(F)(F)F)ccnc1CS(=O)c1nc2ccccc2[nH]1;MJIHNNLFOKEZEW-UHFFFAOYSA-N;369.37;3.52;3883;DB00448;;CHEMBL480;LEC;CPMM;25;0;"<a href=https://permm.phar.umich.edu/  target=_blank>PerMM web server</a>";;;;;;;;;-5.75;;;;;;;;;;;;"Lomize AL, Pogozheva ID.: Physics-Based Method for Modeling Passive Membrane Permeability and Translocation Pathways of Bioactive Molecules. J Chem Inf Model, Volume 59 (7), 2019";"PerMM web server"
L-Dopa;MM00746;NC(Cc1ccc(O)c(O)c1)C(=O)O;WTDRDQBEARUVNC-UHFFFAOYSA-N;197.19;0.05;6047;DB01235;DAH;CHEMBL1009;LEC;CPMM;25;0;"<a href=https://permm.phar.umich.edu/  target=_blank>PerMM web server</a>";;;;;;;;;-6.54;;;;;;;;;;;;"Lomize AL, Pogozheva ID.: Physics-Based Method for Modeling Passive Membrane Permeability and Translocation Pathways of Bioactive Molecules. J Chem Inf Model, Volume 59 (7), 2019";"PerMM web server"
L-Leucine;MM00752;CC(C)CC(N)C(=O)O;ROHFNLRQFUQHCH-YFKPBYRVSA-N;131.18;0.44;6106;DB00149;LEU;CHEMBL291962;LEC;CPMM;25;0;"<a href=https://permm.phar.umich.edu/  target=_blank>PerMM web server</a>";;;;;;;;;-2.69;;;;;;;;;;;;"Lomize AL, Pogozheva ID.: Physics-Based Method for Modeling Passive Membrane Permeability and Translocation Pathways of Bioactive Molecules. J Chem Inf Model, Volume 59 (7), 2019";"PerMM web server"
Lisinopril;MM00763;NCCCCC(NC(CCc1ccccc1)C(=O)O)C(=O)N1CCCC1C(=O)O;RLAWWYSOJDYHDC-UHFFFAOYSA-N;405.5;1.24;5362119;DB00722;LPR;CHEMBL1237;LEC;CPMM;25;0;"<a href=https://permm.phar.umich.edu/  target=_blank>PerMM web server</a>";;;;;;;;;-3.92;;;;;;;;;;;;"Lomize AL, Pogozheva ID.: Physics-Based Method for Modeling Passive Membrane Permeability and Translocation Pathways of Bioactive Molecules. J Chem Inf Model, Volume 59 (7), 2019";"PerMM web server"
8-chloro-6-(4-methylpiperazin-1-yl)benzo[b][1,4]benzoxazepine;MM00510;CN1CCN(C2=Nc3ccccc3Oc3ccc(Cl)cc32)CC1;XJGVXQDUIWGIRW-UHFFFAOYSA-N;327.82;3.77;3964;DB00408;;CHEMBL831;LEC;CPMM;25;0;"<a href=https://permm.phar.umich.edu/  target=_blank>PerMM web server</a>";;;;;;;;;0.09;;;;;;;;;;;;"Lomize AL, Pogozheva ID.: Physics-Based Method for Modeling Passive Membrane Permeability and Translocation Pathways of Bioactive Molecules. J Chem Inf Model, Volume 59 (7), 2019";"PerMM web server"
D-mannitol;MM00386;OCC(O)C(O)C(O)C(O)CO;FBPFZTCFMRRESA-KVTDHHQDSA-N;182.17;-3.59;6251;DB00742;MTL;CHEMBL689;LEC;CPMM;25;0;"<a href=https://permm.phar.umich.edu/  target=_blank>PerMM web server</a>";;;;;;;;;-12.88;;;;;;;;;;;;"Lomize AL, Pogozheva ID.: Physics-Based Method for Modeling Passive Membrane Permeability and Translocation Pathways of Bioactive Molecules. J Chem Inf Model, Volume 59 (7), 2019";"PerMM web server"
"Ethyl 1-methyl-4-phenylpiperidine-4-carboxylate";MM00511;CCOC(=O)C1(c2ccccc2)CCN(C)CC1;XADCESSVHJOZHK-UHFFFAOYSA-N;247.34;2.21;4058;DB00454;;CHEMBL607;LEC;CPMM;25;0;"<a href=https://permm.phar.umich.edu/  target=_blank>PerMM web server</a>";;;;;;;;;1.51;;;;;;;;;;;;"Lomize AL, Pogozheva ID.: Physics-Based Method for Modeling Passive Membrane Permeability and Translocation Pathways of Bioactive Molecules. J Chem Inf Model, Volume 59 (7), 2019";"PerMM web server"
Meprobamate;MM00387;CCCC(C)(COC(N)=O)COC(N)=O;NPPQSCRMBWNHMW-UHFFFAOYSA-N;218.25;0.98;4064;DB00371;;CHEMBL979;LEC;CPMM;25;0;"<a href=https://permm.phar.umich.edu/  target=_blank>PerMM web server</a>";;;;;;;;;-8.07;;;;;;;;;;;;"Lomize AL, Pogozheva ID.: Physics-Based Method for Modeling Passive Membrane Permeability and Translocation Pathways of Bioactive Molecules. J Chem Inf Model, Volume 59 (7), 2019";"PerMM web server"
Methanol;MM00063;CO;OKKJLVBELUTLKV-UHFFFAOYSA-N;32.04;-0.39;887;;;;LEC;CPMM;25;0;"<a href=https://permm.phar.umich.edu/  target=_blank>PerMM web server</a>";;;;;;;;;-2.57;;;;;;;;;;;;"Lomize AL, Pogozheva ID.: Physics-Based Method for Modeling Passive Membrane Permeability and Translocation Pathways of Bioactive Molecules. J Chem Inf Model, Volume 59 (7), 2019";"PerMM web server"
Methotrexate;MM00270;CN(Cc1cnc2nc(N)nc(N)c2n1)c1ccc(C(=O)NC(CCC(=O)O)C(=O)O)cc1;FBOZXECLQNJBKD-UHFFFAOYSA-N;454.45;0.27;126941;DB00563;MTX;CHEMBL34259;LEC;CPMM;25;0;"<a href=https://permm.phar.umich.edu/  target=_blank>PerMM web server</a>";;;;;;;;;-15.3;;;;;;;;;;;;"Lomize AL, Pogozheva ID.: Physics-Based Method for Modeling Passive Membrane Permeability and Translocation Pathways of Bioactive Molecules. J Chem Inf Model, Volume 59 (7), 2019";"PerMM web server"
Methylamine;MM00515;CN;BAVYZALUXZFZLV-UHFFFAOYSA-N;31.06;-0.43;6329;DB01828;NME;CHEMBL43280;LEC;CPMM;25;0;"<a href=https://permm.phar.umich.edu/  target=_blank>PerMM web server</a>";;;;;;;;;-2.31;;;;;;;;;;;;"Lomize AL, Pogozheva ID.: Physics-Based Method for Modeling Passive Membrane Permeability and Translocation Pathways of Bioactive Molecules. J Chem Inf Model, Volume 59 (7), 2019";"PerMM web server"
Methylprednisolone;MM00388;CC1CC2C(C(O)CC3(C)C2CCC3(O)C(=O)CO)C2(C)C=CC(=O)C=C12;VHRSUDSXCMQTMA-UHFFFAOYSA-N;374.48;1.8;6741;DB00959;;CHEMBL650;LEC;CPMM;25;0;"<a href=https://permm.phar.umich.edu/  target=_blank>PerMM web server</a>";;;;;;;;;-4.95;;;;;;;;;;;;"Lomize AL, Pogozheva ID.: Physics-Based Method for Modeling Passive Membrane Permeability and Translocation Pathways of Bioactive Molecules. J Chem Inf Model, Volume 59 (7), 2019";"PerMM web server"
4-amino-5-chloro-N-[2-(diethylamino)ethyl]-2-methoxybenzamide;MM00517;CCN(CC)CCNC(=O)c1cc(Cl)c(N)cc1OC;TTWJBBZEZQICBI-UHFFFAOYSA-N;299.8;2;4168;DB01233;;CHEMBL86;LEC;CPMM;25;0;"<a href=https://permm.phar.umich.edu/  target=_blank>PerMM web server</a>";;;;;;;;;-3.46;;;;;;;;;;;;"Lomize AL, Pogozheva ID.: Physics-Based Method for Modeling Passive Membrane Permeability and Translocation Pathways of Bioactive Molecules. J Chem Inf Model, Volume 59 (7), 2019";"PerMM web server"
Metoprolol;MM00275;COCCc1ccc(OCC(O)CNC(C)C)cc1;IUBSYMUCCVWXPE-UHFFFAOYSA-N;267.37;1.61;4171;DB00264;;CHEMBL13;LEC;CPMM;25;0;"<a href=https://permm.phar.umich.edu/  target=_blank>PerMM web server</a>";;;;;;;;;1.29;;;;;;;;;;;;"Lomize AL, Pogozheva ID.: Physics-Based Method for Modeling Passive Membrane Permeability and Translocation Pathways of Bioactive Molecules. J Chem Inf Model, Volume 59 (7), 2019";"PerMM web server"
Midazolam;MM00519;Cc1ncc2n1-c1ccc(Cl)cc1C(c1ccccc1F)=NC2;DDLIGBOFAVUZHB-UHFFFAOYSA-N;325.77;4.32;4192;DB00683;08J;CHEMBL655;LEC;CPMM;25;0;"<a href=https://permm.phar.umich.edu/  target=_blank>PerMM web server</a>";;;;;;;;;0.82;;;;;;;;;;;;"Lomize AL, Pogozheva ID.: Physics-Based Method for Modeling Passive Membrane Permeability and Translocation Pathways of Bioactive Molecules. J Chem Inf Model, Volume 59 (7), 2019";"PerMM web server"
Minoxidil;MM00393;Nc1cc(N2CCCCC2)nc(N)[n+]1[O-];ZFMITUMMTDLWHR-UHFFFAOYSA-N;209.25;-0.13;4201;DB00350;MXD;CHEMBL802;LEC;CPMM;25;0;"<a href=https://permm.phar.umich.edu/  target=_blank>PerMM web server</a>";;;;;;;;;-4.04;;;;;;;;;;;;"Lomize AL, Pogozheva ID.: Physics-Based Method for Modeling Passive Membrane Permeability and Translocation Pathways of Bioactive Molecules. J Chem Inf Model, Volume 59 (7), 2019";"PerMM web server"
1,4-dihydroxy-5,8-bis[2-(2-hydroxyethylamino)ethylamino]anthracene-9,10-dione;MM00522;O=C1c2c(O)ccc(O)c2C(=O)c2c(NCCNCCO)ccc(NCCNCCO)c21;KKZJGLLVHKMTCM-UHFFFAOYSA-N;444.49;-0.14;4212;DB01204;MIX;CHEMBL58;LEC;CPMM;25;0;"<a href=https://permm.phar.umich.edu/  target=_blank>PerMM web server</a>";;;;;;;;;-9.54;;;;;;;;;;;;"Lomize AL, Pogozheva ID.: Physics-Based Method for Modeling Passive Membrane Permeability and Translocation Pathways of Bioactive Molecules. J Chem Inf Model, Volume 59 (7), 2019";"PerMM web server"
Nadolol;MM00525;CC(C)(C)NCC(O)COc1cccc2c1CC(O)C(O)C2;VWPOSFSPZNDTMJ-UHFFFAOYSA-N;309.41;0.63;4411;DB01203;;CHEMBL521606;LEC;CPMM;25;0;"<a href=https://permm.phar.umich.edu/  target=_blank>PerMM web server</a>";;;;;;;;;-1.93;;;;;;;;;;;;"Lomize AL, Pogozheva ID.: Physics-Based Method for Modeling Passive Membrane Permeability and Translocation Pathways of Bioactive Molecules. J Chem Inf Model, Volume 59 (7), 2019";"PerMM web server"
Nalbuphine;MM00526;Oc1ccc2c3c1O[C@H]1[C@@H](O)CC[C@@]4(O)[C@@H](C2)N(CC2CCC2)CC[C@]314;NETZHAKZCGBWSS-CEDHKZHLSA-N;357.45;1.71;5311304;DB00844;;CHEMBL895;LEC;CPMM;25;0;"<a href=https://permm.phar.umich.edu/  target=_blank>PerMM web server</a>";;;;;;;;;-0.66;;;;;;;;;;;;"Lomize AL, Pogozheva ID.: Physics-Based Method for Modeling Passive Membrane Permeability and Translocation Pathways of Bioactive Molecules. J Chem Inf Model, Volume 59 (7), 2019";"PerMM web server"
Naproxen;MM00672;COc1ccc2cc(C(C)C(=O)O)ccc2c1;CMWTZPSULFXXJA-UHFFFAOYSA-N;230.26;3.04;156391;DB00788;NPS;CHEMBL154;LEC;CPMM;25;0;"<a href=https://permm.phar.umich.edu/  target=_blank>PerMM web server</a>";;;;;;;;;-0.35;;;;;;;;;;;;"Lomize AL, Pogozheva ID.: Physics-Based Method for Modeling Passive Membrane Permeability and Translocation Pathways of Bioactive Molecules. J Chem Inf Model, Volume 59 (7), 2019";"PerMM web server"
Nelfinavir;MM00528;Cc1c(O)cccc1C(=O)NC(CSc1ccccc1)C(O)CN1CC2CCCCC2CC1C(=O)NC(C)(C)C;QAGYKUNXZHXKMR-UHFFFAOYSA-N;567.8;4.75;64143;DB00220;1UN;CHEMBL584;LEC;CPMM;25;0;"<a href=https://permm.phar.umich.edu/  target=_blank>PerMM web server</a>";;;;;;;;;1.13;;;;;;;;;;;;"Lomize AL, Pogozheva ID.: Physics-Based Method for Modeling Passive Membrane Permeability and Translocation Pathways of Bioactive Molecules. J Chem Inf Model, Volume 59 (7), 2019";"PerMM web server"
Nicotinamide;MM00396;NC(=O)c1cccnc1;DFPAKSUCGFBDDF-UHFFFAOYSA-N;122.13;0.18;936;DB02701;NCA;CHEMBL1140;LEC;CPMM;25;0;"<a href=https://permm.phar.umich.edu/  target=_blank>PerMM web server</a>";;;;;;;;;-4.14;;;;;;;;;;;;"Lomize AL, Pogozheva ID.: Physics-Based Method for Modeling Passive Membrane Permeability and Translocation Pathways of Bioactive Molecules. J Chem Inf Model, Volume 59 (7), 2019";"PerMM web server"
Norfloxacin;MM00768;CCn1cc(C(=O)O)c(=O)c2cc(F)c(N3CCNCC3)cc21;OGJPXUAPXNRGGI-UHFFFAOYSA-N;319.34;1.27;4539;DB01059;;CHEMBL9;LEC;CPMM;25;0;"<a href=https://permm.phar.umich.edu/  target=_blank>PerMM web server</a>";;;;;;;;;-4.9;;;;;;;;;;;;"Lomize AL, Pogozheva ID.: Physics-Based Method for Modeling Passive Membrane Permeability and Translocation Pathways of Bioactive Molecules. J Chem Inf Model, Volume 59 (7), 2019";"PerMM web server"
Ofloxacin;MM00769;CC1COc2c(N3CCN(C)CC3)c(F)cc3c(=O)c(C(=O)O)cn1c23;GSDSWSVVBLHKDQ-UHFFFAOYSA-N;361.37;1.54;4583;DB01165;;CHEMBL4;LEC;CPMM;25;0;"<a href=https://permm.phar.umich.edu/  target=_blank>PerMM web server</a>";;;;;;;;;-5.43;;;;;;;;;;;;"Lomize AL, Pogozheva ID.: Physics-Based Method for Modeling Passive Membrane Permeability and Translocation Pathways of Bioactive Molecules. J Chem Inf Model, Volume 59 (7), 2019";"PerMM web server"
6-methoxy-2-[(4-methoxy-3,5-dimethylpyridin-2-yl)methylsulfinyl]-1H-benzimidazole;MM00399;COc1ccc2[nH]c(S(=O)Cc3ncc(C)c(OC)c3C)nc2c1;SUBDBMMJDZJVOS-UHFFFAOYSA-N;345.42;2.9;4594;DB00338;;CHEMBL1503;LEC;CPMM;25;0;"<a href=https://permm.phar.umich.edu/  target=_blank>PerMM web server</a>";;;;;;;;;-7.6;;;;;;;;;;;;"Lomize AL, Pogozheva ID.: Physics-Based Method for Modeling Passive Membrane Permeability and Translocation Pathways of Bioactive Molecules. J Chem Inf Model, Volume 59 (7), 2019";"PerMM web server"
Paclitaxel;MM00400;CC(=O)OC1C(=O)C2(C)C(O)CC3OCC3(OC(C)=O)C2C(OC(=O)c2ccccc2)C2(O)CC(OC(=O)C(O)C(NC(=O)c3ccccc3)c3ccccc3)C(C)=C1C2(C)C;RCINICONZNJXQF-UHFFFAOYSA-N;853.92;3.74;36314;DB01229;TA1;CHEMBL428647;LEC;CPMM;25;0;"<a href=https://permm.phar.umich.edu/  target=_blank>PerMM web server</a>";;;;;;;;;-4.37;;;;;;;;;;;;"Lomize AL, Pogozheva ID.: Physics-Based Method for Modeling Passive Membrane Permeability and Translocation Pathways of Bioactive Molecules. J Chem Inf Model, Volume 59 (7), 2019";"PerMM web server"
6-(difluoromethoxy)-2-[(3,4-dimethoxypyridin-2-yl)methylsulfinyl]-1H-benzimidazole;MM00401;COc1ccnc(CS(=O)c2nc3ccc(OC(F)F)cc3[nH]2)c1OC;IQPSEEYGBUAQFF-UHFFFAOYSA-N;383.38;2.88;4679;DB00213;;CHEMBL1502;LEC;CPMM;25;0;"<a href=https://permm.phar.umich.edu/  target=_blank>PerMM web server</a>";;;;;;;;;-10.44;;;;;;;;;;;;"Lomize AL, Pogozheva ID.: Physics-Based Method for Modeling Passive Membrane Permeability and Translocation Pathways of Bioactive Molecules. J Chem Inf Model, Volume 59 (7), 2019";"PerMM web server"
"Phenylacetic Acid";MM00679;O=C(O)Cc1ccccc1;WLJVXDMOQOGPHL-UHFFFAOYSA-N;136.15;1.31;999;DB09269;PAC;CHEMBL1044;LEC;CPMM;25;0;"<a href=https://permm.phar.umich.edu/  target=_blank>PerMM web server</a>";;;;;;;;;-0.17;;;;;;;;;;;;"Lomize AL, Pogozheva ID.: Physics-Based Method for Modeling Passive Membrane Permeability and Translocation Pathways of Bioactive Molecules. J Chem Inf Model, Volume 59 (7), 2019";"PerMM web server"
L-Phenylalanine;MM00756;NC(Cc1ccccc1)C(=O)O;COLNVLDHVKWLRT-QMMMGPOBSA-N;165.19;0.64;6140;DB00120;PHE;CHEMBL301523;LEC;CPMM;25;0;"<a href=https://permm.phar.umich.edu/  target=_blank>PerMM web server</a>";;;;;;;;;-2.08;;;;;;;;;;;;"Lomize AL, Pogozheva ID.: Physics-Based Method for Modeling Passive Membrane Permeability and Translocation Pathways of Bioactive Molecules. J Chem Inf Model, Volume 59 (7), 2019";"PerMM web server"
Phenytoin;MM00406;O=C1N=C(O)NC1(c1ccccc1)c1ccccc1;CXOFVDLJLONNDW-UHFFFAOYSA-N;252.27;1.97;1775;DB00252;;CHEMBL16;LEC;CPMM;25;0;"<a href=https://permm.phar.umich.edu/  target=_blank>PerMM web server</a>";;;;;;;;;-2.38;;;;;;;;;;;;"Lomize AL, Pogozheva ID.: Physics-Based Method for Modeling Passive Membrane Permeability and Translocation Pathways of Bioactive Molecules. J Chem Inf Model, Volume 59 (7), 2019";"PerMM web server"
"4-Hydroxybenzoic Acid";MM00609;O=C(O)c1ccc(O)cc1;FJKROLUGYXJWQN-UHFFFAOYSA-N;138.12;1.09;135;DB04242;PHB;CHEMBL441343;LEC;CPMM;25;0;"<a href=https://permm.phar.umich.edu/  target=_blank>PerMM web server</a>";;;;;;;;;-3.27;;;;;;;;;;;;"Lomize AL, Pogozheva ID.: Physics-Based Method for Modeling Passive Membrane Permeability and Translocation Pathways of Bioactive Molecules. J Chem Inf Model, Volume 59 (7), 2019";"PerMM web server"
Pindolol;MM00542;CC(C)NCC(O)COc1cccc2[nH]ccc12;JZQKKSLKJUAGIC-UHFFFAOYSA-N;248.33;1.91;4828;DB00960;;CHEMBL500;LEC;CPMM;25;0;"<a href=https://permm.phar.umich.edu/  target=_blank>PerMM web server</a>";;;;;;;;;-0.86;;;;;;;;;;;;"Lomize AL, Pogozheva ID.: Physics-Based Method for Modeling Passive Membrane Permeability and Translocation Pathways of Bioactive Molecules. J Chem Inf Model, Volume 59 (7), 2019";"PerMM web server"
11-[2-(4-methylpiperazin-1-yl)acetyl]-5H-pyrido[2,3-b][1,4]benzodiazepin-6-one;MM00543;CN1CCN(CC(=O)N2c3ccccc3C(=O)Nc3cccnc32)CC1;RMHMFHUVIITRHF-UHFFFAOYSA-N;351.41;1.56;4848;DB00670;;CHEMBL9967;LEC;CPMM;25;0;"<a href=https://permm.phar.umich.edu/  target=_blank>PerMM web server</a>";;;;;;;;;-4.52;;;;;;;;;;;;"Lomize AL, Pogozheva ID.: Physics-Based Method for Modeling Passive Membrane Permeability and Translocation Pathways of Bioactive Molecules. J Chem Inf Model, Volume 59 (7), 2019";"PerMM web server"
Piroxicam;MM00682;CN1C(C(=O)Nc2ccccn2)=C(O)c2ccccc2S1(=O)=O;QYSPLQLAKJAUJT-UHFFFAOYSA-N;331.35;1.58;54676228;DB00554;;CHEMBL527;LEC;CPMM;25;0;"<a href=https://permm.phar.umich.edu/  target=_blank>PerMM web server</a>";;;;;;;;;-5.12;;;;;;;;;;;;"Lomize AL, Pogozheva ID.: Physics-Based Method for Modeling Passive Membrane Permeability and Translocation Pathways of Bioactive Molecules. J Chem Inf Model, Volume 59 (7), 2019";"PerMM web server"
"Pivalic Acid";MM00683;CC(C)(C)C(=O)O;IUGYQRQAERSCNH-UHFFFAOYSA-N;102.13;1.12;6417;;;;LEC;CPMM;25;0;"<a href=https://permm.phar.umich.edu/  target=_blank>PerMM web server</a>";;;;;;;;;-0.39;;;;;;;;;;;;"Lomize AL, Pogozheva ID.: Physics-Based Method for Modeling Passive Membrane Permeability and Translocation Pathways of Bioactive Molecules. J Chem Inf Model, Volume 59 (7), 2019";"PerMM web server"
Practolol;MM00544;CC(=O)Nc1ccc(OCC(O)CNC(C)C)cc1;DURULFYMVIFBIR-UHFFFAOYSA-N;266.34;1.38;4883;DB01297;;CHEMBL6995;LEC;CPMM;25;0;"<a href=https://permm.phar.umich.edu/  target=_blank>PerMM web server</a>";;;;;;;;;-0.49;;;;;;;;;;;;"Lomize AL, Pogozheva ID.: Physics-Based Method for Modeling Passive Membrane Permeability and Translocation Pathways of Bioactive Molecules. J Chem Inf Model, Volume 59 (7), 2019";"PerMM web server"
2-(cyclohexanecarbonyl)-3,6,7,11b-tetrahydro-1H-pyrazino[2,1-a]isoquinolin-4-one;MM00407;O=C(C1CCCCC1)N1CC(=O)N2CCc3ccccc3C2C1;FSVJFNAIGNNGKK-UHFFFAOYSA-N;312.41;2.53;4891;DB01058;;CHEMBL976;LEC;CPMM;25;0;"<a href=https://permm.phar.umich.edu/  target=_blank>PerMM web server</a>";;;;;;;;;-0.56;;;;;;;;;;;;"Lomize AL, Pogozheva ID.: Physics-Based Method for Modeling Passive Membrane Permeability and Translocation Pathways of Bioactive Molecules. J Chem Inf Model, Volume 59 (7), 2019";"PerMM web server"
Prednisolone;MM00297;CC12C=CC(=O)C=C1CCC1C2C(O)CC2(C)C1CCC2(O)C(=O)CO;OIGNJSKKLXVSLS-UHFFFAOYSA-N;360.45;1.56;5755;DB00860;;CHEMBL131;LEC;CPMM;25;0;"<a href=https://permm.phar.umich.edu/  target=_blank>PerMM web server</a>";;;;;;;;;-5.23;;;;;;;;;;;;"Lomize AL, Pogozheva ID.: Physics-Based Method for Modeling Passive Membrane Permeability and Translocation Pathways of Bioactive Molecules. J Chem Inf Model, Volume 59 (7), 2019";"PerMM web server"
5-ethyl-5-phenyl-1,3-diazinane-4,6-dione;MM00409;CCC1(c2ccccc2)C(=O)NCNC1=O;DQMZLTXERSFNPB-UHFFFAOYSA-N;218.26;0.54;4909;DB00794;;CHEMBL856;LEC;CPMM;25;0;"<a href=https://permm.phar.umich.edu/  target=_blank>PerMM web server</a>";;;;;;;;;-3.36;;;;;;;;;;;;"Lomize AL, Pogozheva ID.: Physics-Based Method for Modeling Passive Membrane Permeability and Translocation Pathways of Bioactive Molecules. J Chem Inf Model, Volume 59 (7), 2019";"PerMM web server"
"Propionic Acid";MM00685;CCC(=O)O;XBDQKXXYIPTUBI-UHFFFAOYSA-N;74.08;0.48;1032;DB03766;PPI;CHEMBL14021;LEC;CPMM;25;0;"<a href=https://permm.phar.umich.edu/  target=_blank>PerMM web server</a>";;;;;;;;;-1.5;;;;;;;;;;;;"Lomize AL, Pogozheva ID.: Physics-Based Method for Modeling Passive Membrane Permeability and Translocation Pathways of Bioactive Molecules. J Chem Inf Model, Volume 59 (7), 2019";"PerMM web server"
Propranolol;MM00085;CC(C)NCC(O)COc1cccc2ccccc12;AQHHHDLHHXJYJD-UHFFFAOYSA-N;259.35;2.58;4946;DB00571;;CHEMBL27;LEC;CPMM;25;0;"<a href=https://permm.phar.umich.edu/  target=_blank>PerMM web server</a>";;;;;;;;;3.42;;;;;;;;;;;;"Lomize AL, Pogozheva ID.: Physics-Based Method for Modeling Passive Membrane Permeability and Translocation Pathways of Bioactive Molecules. J Chem Inf Model, Volume 59 (7), 2019";"PerMM web server"
"Propylene Glycol";MM00414;CC(O)CO;DNIAPMSPPWPWGF-UHFFFAOYSA-N;76.1;-0.64;1030;DB01839;;CHEMBL286398;LEC;CPMM;25;0;"<a href=https://permm.phar.umich.edu/  target=_blank>PerMM web server</a>";;;;;;;;;-3.52;;;;;;;;;;;;"Lomize AL, Pogozheva ID.: Physics-Based Method for Modeling Passive Membrane Permeability and Translocation Pathways of Bioactive Molecules. J Chem Inf Model, Volume 59 (7), 2019";"PerMM web server"
6-propyl-2-sulfanylidene-1H-pyrimidin-4-one;MM00415;CCCc1cc(=O)[nH]c(=S)[nH]1;KNAHARQHSZJURB-UHFFFAOYSA-N;170.24;1.38;657298;DB00550;3CJ;CHEMBL1518;LEC;CPMM;25;0;"<a href=https://permm.phar.umich.edu/  target=_blank>PerMM web server</a>";;;;;;;;;-1.66;;;;;;;;;;;;"Lomize AL, Pogozheva ID.: Physics-Based Method for Modeling Passive Membrane Permeability and Translocation Pathways of Bioactive Molecules. J Chem Inf Model, Volume 59 (7), 2019";"PerMM web server"
"4-Methylbenzoic Acid";MM00610;Cc1ccc(C(=O)O)cc1;LPNBBFKOUUSUDB-UHFFFAOYSA-N;136.15;1.69;7470;;;;LEC;CPMM;25;0;"<a href=https://permm.phar.umich.edu/  target=_blank>PerMM web server</a>";;;;;;;;;-0.08;;;;;;;;;;;;"Lomize AL, Pogozheva ID.: Physics-Based Method for Modeling Passive Membrane Permeability and Translocation Pathways of Bioactive Molecules. J Chem Inf Model, Volume 59 (7), 2019";"PerMM web server"
N'-[(4-methoxyphenyl)methyl]-N,N-dimethyl-N'-pyridin-2-ylethane-1,2-diamine;MM00512;COc1ccc(CN(CCN(C)C)c2ccccn2)cc1;YECBIJXISLIIDS-UHFFFAOYSA-N;285.39;2.66;4992;DB06691;;CHEMBL511;LEC;CPMM;25;0;"<a href=https://permm.phar.umich.edu/  target=_blank>PerMM web server</a>";;;;;;;;;0.29;;;;;;;;;;;;"Lomize AL, Pogozheva ID.: Physics-Based Method for Modeling Passive Membrane Permeability and Translocation Pathways of Bioactive Molecules. J Chem Inf Model, Volume 59 (7), 2019";"PerMM web server"
Quercetin;MM00047;O=c1c(O)c(-c2ccc(O)c(O)c2)oc2cc(O)cc(O)c12;REFJWTPEDVJJIY-UHFFFAOYSA-N;302.24;1.99;5280343;DB04216;QUE;CHEMBL50;LEC;CPMM;25;0;"<a href=https://permm.phar.umich.edu/  target=_blank>PerMM web server</a>";;;;;;;;;-7.24;;;;;;;;;;;;"Lomize AL, Pogozheva ID.: Physics-Based Method for Modeling Passive Membrane Permeability and Translocation Pathways of Bioactive Molecules. J Chem Inf Model, Volume 59 (7), 2019";"PerMM web server"
Quinidine;MM00558;C=C[C@H]1CN2CC[C@H]1C[C@@H]2[C@@H](O)c1ccnc2ccc(OC)cc12;LOUPRKONTZGTKE-LHHVKLHASA-N;324.42;3.17;441074;DB00908;QDN;CHEMBL1294;LEC;CPMM;25;0;"<a href=https://permm.phar.umich.edu/  target=_blank>PerMM web server</a>";;;;;;;;;-1.19;;;;;;;;;;;;"Lomize AL, Pogozheva ID.: Physics-Based Method for Modeling Passive Membrane Permeability and Translocation Pathways of Bioactive Molecules. J Chem Inf Model, Volume 59 (7), 2019";"PerMM web server"
Quinine;MM00559;C=C[C@H]1CN2CC[C@H]1C[C@H]2[C@H](O)c1ccnc2ccc(OC)cc12;LOUPRKONTZGTKE-WZBLMQSHSA-N;324.42;3.17;3034034;DB00468;QI9;CHEMBL170;LEC;CPMM;25;0;"<a href=https://permm.phar.umich.edu/  target=_blank>PerMM web server</a>";;;;;;;;;-1.24;;;;;;;;;;;;"Lomize AL, Pogozheva ID.: Physics-Based Method for Modeling Passive Membrane Permeability and Translocation Pathways of Bioactive Molecules. J Chem Inf Model, Volume 59 (7), 2019";"PerMM web server"
Ritonavir;MM00419;CC(C)c1nc(CN(C)C(=O)NC(C(=O)NC(Cc2ccccc2)CC(O)C(Cc2ccccc2)NC(=O)OCc2cncs2)C(C)C)cs1;NCDNCNXCDXHOMX-UHFFFAOYSA-N;720.96;5.91;392622;DB00503;RIT;CHEMBL163;LEC;CPMM;25;0;"<a href=https://permm.phar.umich.edu/  target=_blank>PerMM web server</a>";;;;;;;;;-2.87;;;;;;;;;;;;"Lomize AL, Pogozheva ID.: Physics-Based Method for Modeling Passive Membrane Permeability and Translocation Pathways of Bioactive Molecules. J Chem Inf Model, Volume 59 (7), 2019";"PerMM web server"
N,N-dimethyl-2-[5-(1,2,4-triazol-1-ylmethyl)-1H-indol-3-yl]ethanamine;MM00562;CN(C)CCc1c[nH]c2ccc(Cn3cncn3)cc12;ULFRLSNUDGIQQP-UHFFFAOYSA-N;269.35;1.91;5078;DB00953;;CHEMBL905;LEC;CPMM;25;0;"<a href=https://permm.phar.umich.edu/  target=_blank>PerMM web server</a>";;;;;;;;;-2.2;;;;;;;;;;;;"Lomize AL, Pogozheva ID.: Physics-Based Method for Modeling Passive Membrane Permeability and Translocation Pathways of Bioactive Molecules. J Chem Inf Model, Volume 59 (7), 2019";"PerMM web server"
"Salicylic Acid";MM00093;O=C(O)c1ccccc1O;YGSDEFSMJLZEOE-UHFFFAOYSA-N;138.12;1.09;338;DB00936;SAL;CHEMBL424;LEC;CPMM;25;0;"<a href=https://permm.phar.umich.edu/  target=_blank>PerMM web server</a>";;;;;;;;;-1.64;;;;;;;;;;;;"Lomize AL, Pogozheva ID.: Physics-Based Method for Modeling Passive Membrane Permeability and Translocation Pathways of Bioactive Molecules. J Chem Inf Model, Volume 59 (7), 2019";"PerMM web server"
"6-fluoro-1-(4-fluorophenyl)-4-oxo-7-piperazin-1-ylquinoline-3-carboxylic acid";MM00771;O=C(O)c1cn(-c2ccc(F)cc2)c2cc(N3CCNCC3)c(F)cc2c1=O;XBHBWNFJWIASRO-UHFFFAOYSA-N;385.37;2.38;56208;DB11491;;CHEMBL37858;LEC;CPMM;25;0;"<a href=https://permm.phar.umich.edu/  target=_blank>PerMM web server</a>";;;;;;;;;-3.55;;;;;;;;;;;;"Lomize AL, Pogozheva ID.: Physics-Based Method for Modeling Passive Membrane Permeability and Translocation Pathways of Bioactive Molecules. J Chem Inf Model, Volume 59 (7), 2019";"PerMM web server"
Sotalol;MM00567;CC(C)NCC(O)c1ccc(NS(C)(=O)=O)cc1;ZBMZVLHSJCTVON-UHFFFAOYSA-N;272.37;1.09;5253;DB00489;;CHEMBL471;LEC;CPMM;25;0;"<a href=https://permm.phar.umich.edu/  target=_blank>PerMM web server</a>";;;;;;;;;-2.58;;;;;;;;;;;;"Lomize AL, Pogozheva ID.: Physics-Based Method for Modeling Passive Membrane Permeability and Translocation Pathways of Bioactive Molecules. J Chem Inf Model, Volume 59 (7), 2019";"PerMM web server"
Sparfloxacin;MM00772;CC1CN(c2c(F)c(N)c3c(=O)c(C(=O)O)cn(C4CC4)c3c2F)CC(C)N1;DZZWHBIBMUVIIW-UHFFFAOYSA-N;392.41;2.08;60464;DB01208;;CHEMBL850;LEC;CPMM;25;0;"<a href=https://permm.phar.umich.edu/  target=_blank>PerMM web server</a>";;;;;;;;;-4.16;;;;;;;;;;;;"Lomize AL, Pogozheva ID.: Physics-Based Method for Modeling Passive Membrane Permeability and Translocation Pathways of Bioactive Molecules. J Chem Inf Model, Volume 59 (7), 2019";"PerMM web server"
Sucrose;MM00421;OCC1OC(OC2(CO)OC(CO)C(O)C2O)C(O)C(O)C1O;CZMRCDWAGMRECN-UGDNZRGBSA-N;342.3;-5.4;5988;DB02772;SUC;CHEMBL253582;LEC;CPMM;25;0;"<a href=https://permm.phar.umich.edu/  target=_blank>PerMM web server</a>";;;;;;;;;-15.91;;;;;;;;;;;;"Lomize AL, Pogozheva ID.: Physics-Based Method for Modeling Passive Membrane Permeability and Translocation Pathways of Bioactive Molecules. J Chem Inf Model, Volume 59 (7), 2019";"PerMM web server"
Sulfasalazine;MM00690;O=C(O)c1cc(N=Nc2ccc(S(=O)(=O)Nc3ccccn3)cc2)ccc1O;NCEXYHBECQHGNR-UHFFFAOYSA-N;398.4;3.7;5359476;DB00795;SAS;CHEMBL421;LEC;CPMM;25;0;"<a href=https://permm.phar.umich.edu/  target=_blank>PerMM web server</a>";;;;;;;;;-5.27;;;;;;;;;;;;"Lomize AL, Pogozheva ID.: Physics-Based Method for Modeling Passive Membrane Permeability and Translocation Pathways of Bioactive Molecules. J Chem Inf Model, Volume 59 (7), 2019";"PerMM web server"
Sulpiride;MM00568;CCN1CCCC1CNC(=O)c1cc(S(N)(=O)=O)ccc1OC;BGRJTUBHPOOWDU-UHFFFAOYSA-N;341.43;0.56;5355;DB00391;;CHEMBL26;LEC;CPMM;25;0;"<a href=https://permm.phar.umich.edu/  target=_blank>PerMM web server</a>";;;;;;;;;-5.79;;;;;;;;;;;;"Lomize AL, Pogozheva ID.: Physics-Based Method for Modeling Passive Membrane Permeability and Translocation Pathways of Bioactive Molecules. J Chem Inf Model, Volume 59 (7), 2019";"PerMM web server"
1-[3-[2-(dimethylamino)ethyl]-1H-indol-5-yl]-N-methylmethanesulfonamide;MM00569;CNS(=O)(=O)Cc1ccc2[nH]cc(CCN(C)C)c2c1;KQKPFRSPSRPDEB-UHFFFAOYSA-N;295.41;1.32;5358;DB00669;;CHEMBL128;LEC;CPMM;25;0;"<a href=https://permm.phar.umich.edu/  target=_blank>PerMM web server</a>";;;;;;;;;-4.08;;;;;;;;;;;;"Lomize AL, Pogozheva ID.: Physics-Based Method for Modeling Passive Membrane Permeability and Translocation Pathways of Bioactive Molecules. J Chem Inf Model, Volume 59 (7), 2019";"PerMM web server"
5-[2-(tert-butylamino)-1-hydroxyethyl]benzene-1,3-diol;MM00306;CC(C)(C)NCC(O)c1cc(O)cc(O)c1;XWTYSIMOBUGWOL-UHFFFAOYSA-N;225.29;1.52;5403;DB00871;;CHEMBL1760;LEC;CPMM;25;0;"<a href=https://permm.phar.umich.edu/  target=_blank>PerMM web server</a>";;;;;;;;;-3.59;;;;;;;;;;;;"Lomize AL, Pogozheva ID.: Physics-Based Method for Modeling Passive Membrane Permeability and Translocation Pathways of Bioactive Molecules. J Chem Inf Model, Volume 59 (7), 2019";"PerMM web server"
Terfenadine;MM00571;CC(C)(C)c1ccc(C(O)CCCN2CCC(C(O)(c3ccccc3)c3ccccc3)CC2)cc1;GUGOEEXESWIERI-UHFFFAOYSA-N;471.69;6.45;5405;DB00342;;CHEMBL17157;LEC;CPMM;25;0;"<a href=https://permm.phar.umich.edu/  target=_blank>PerMM web server</a>";;;;;;;;;4.23;;;;;;;;;;;;"Lomize AL, Pogozheva ID.: Physics-Based Method for Modeling Passive Membrane Permeability and Translocation Pathways of Bioactive Molecules. J Chem Inf Model, Volume 59 (7), 2019";"PerMM web server"
Testosterone;MM00423;CC12CCC(=O)C=C1CCC1C2CCC2(C)C(O)CCC12;MUMGGOZAMZWBJJ-UHFFFAOYSA-N;288.43;3.88;6013;DB00624;TES;CHEMBL386630;LEC;CPMM;25;0;"<a href=https://permm.phar.umich.edu/  target=_blank>PerMM web server</a>";;;;;;;;;0.78;;;;;;;;;;;;"Lomize AL, Pogozheva ID.: Physics-Based Method for Modeling Passive Membrane Permeability and Translocation Pathways of Bioactive Molecules. J Chem Inf Model, Volume 59 (7), 2019";"PerMM web server"
Theobromine;MM00424;Cn1cnc2c1c(=O)[nH]c(=O)n2C;YAPQBXQYLJRXSA-UHFFFAOYSA-N;180.17;-1.04;5429;DB01412;37T;CHEMBL1114;LEC;CPMM;25;0;"<a href=https://permm.phar.umich.edu/  target=_blank>PerMM web server</a>";;;;;;;;;-5.99;;;;;;;;;;;;"Lomize AL, Pogozheva ID.: Physics-Based Method for Modeling Passive Membrane Permeability and Translocation Pathways of Bioactive Molecules. J Chem Inf Model, Volume 59 (7), 2019";"PerMM web server"
Theophylline;MM00048;Cn1c(=O)c2[nH]cnc2n(C)c1=O;ZFXYFBGIUFBOJW-UHFFFAOYSA-N;180.17;-1.04;2153;DB00277;TEP;CHEMBL190;LEC;CPMM;25;0;"<a href=https://permm.phar.umich.edu/  target=_blank>PerMM web server</a>";;;;;;;;;-5.89;;;;;;;;;;;;"Lomize AL, Pogozheva ID.: Physics-Based Method for Modeling Passive Membrane Permeability and Translocation Pathways of Bioactive Molecules. J Chem Inf Model, Volume 59 (7), 2019";"PerMM web server"
2-(1,3-thiazol-4-yl)-1h-benzimidazole;MM00425;c1ccc2[nH]c(-c3cscn3)nc2c1;WJCNZQLZVWNLKY-UHFFFAOYSA-N;201.25;2.69;5430;DB00730;TMG;CHEMBL625;LEC;CPMM;25;0;"<a href=https://permm.phar.umich.edu/  target=_blank>PerMM web server</a>";;;;;;;;;-0.29;;;;;;;;;;;;"Lomize AL, Pogozheva ID.: Physics-Based Method for Modeling Passive Membrane Permeability and Translocation Pathways of Bioactive Molecules. J Chem Inf Model, Volume 59 (7), 2019";"PerMM web server"
"Thiocyanic Acid";MM00692;N#CS;ZMZDMBWJUHKJPS-UHFFFAOYSA-N;59.09;0.4;781;;;;LEC;CPMM;25;0;"<a href=https://permm.phar.umich.edu/  target=_blank>PerMM web server</a>";;;;;;;;;-0.96;;;;;;;;;;;;"Lomize AL, Pogozheva ID.: Physics-Based Method for Modeling Passive Membrane Permeability and Translocation Pathways of Bioactive Molecules. J Chem Inf Model, Volume 59 (7), 2019";"PerMM web server"
Thiourea;MM00426;NC(N)=S;UMGDCJDMYOKAJW-UHFFFAOYSA-N;76.12;-0.81;2723790;;;;LEC;CPMM;25;0;"<a href=https://permm.phar.umich.edu/  target=_blank>PerMM web server</a>";;;;;;;;;-4.08;;;;;;;;;;;;"Lomize AL, Pogozheva ID.: Physics-Based Method for Modeling Passive Membrane Permeability and Translocation Pathways of Bioactive Molecules. J Chem Inf Model, Volume 59 (7), 2019";"PerMM web server"
Thymine;MM00428;Cc1c[nH]c(=O)[nH]c1=O;RWQNBRDOKXIBIV-UHFFFAOYSA-N;126.12;-0.63;1135;DB03462;TDR;CHEMBL993;LEC;CPMM;25;0;"<a href=https://permm.phar.umich.edu/  target=_blank>PerMM web server</a>";;;;;;;;;-5.08;;;;;;;;;;;;"Lomize AL, Pogozheva ID.: Physics-Based Method for Modeling Passive Membrane Permeability and Translocation Pathways of Bioactive Molecules. J Chem Inf Model, Volume 59 (7), 2019";"PerMM web server"
"Tiglic Acid";MM00694;"C/C=C(\C)C(=O)O";UIERETOOQGIECD-ONEGZZNKSA-N;100.12;1.04;125468;;;;LEC;CPMM;25;0;"<a href=https://permm.phar.umich.edu/  target=_blank>PerMM web server</a>";;;;;;;;;-0.48;;;;;;;;;;;;"Lomize AL, Pogozheva ID.: Physics-Based Method for Modeling Passive Membrane Permeability and Translocation Pathways of Bioactive Molecules. J Chem Inf Model, Volume 59 (7), 2019";"PerMM web server"
Tolbutamide;MM00708;CCCCNC(=O)NS(=O)(=O)c1ccc(C)cc1;JLRGJRBPOGGCBT-UHFFFAOYSA-N;270.35;1.78;5505;DB01124;;CHEMBL782;LEC;CPMM;25;0;"<a href=https://permm.phar.umich.edu/  target=_blank>PerMM web server</a>";;;;;;;;;-2.81;;;;;;;;;;;;"Lomize AL, Pogozheva ID.: Physics-Based Method for Modeling Passive Membrane Permeability and Translocation Pathways of Bioactive Molecules. J Chem Inf Model, Volume 59 (7), 2019";"PerMM web server"
Topotecan;MM00575;CCC1(O)C(=O)OCc2c1cc1n(c2=O)Cc2cc3c(CN(C)C)c(O)ccc3nc2-1;UCFGDBYHRUNTLO-UHFFFAOYSA-N;421.45;1.85;60700;DB01030;TTC;CHEMBL84;LEC;CPMM;25;0;"<a href=https://permm.phar.umich.edu/  target=_blank>PerMM web server</a>";;;;;;;;;-7.36;;;;;;;;;;;;"Lomize AL, Pogozheva ID.: Physics-Based Method for Modeling Passive Membrane Permeability and Translocation Pathways of Bioactive Molecules. J Chem Inf Model, Volume 59 (7), 2019";"PerMM web server"
Trimethoprim;MM00581;COc1cc(Cc2cnc(N)nc2N)cc(OC)c1OC;IEDVJHCEMCRBQM-UHFFFAOYSA-N;290.32;1.26;5578;DB00440;TOP;CHEMBL22;LEC;CPMM;25;0;"<a href=https://permm.phar.umich.edu/  target=_blank>PerMM web server</a>";;;;;;;;;-7.85;;;;;;;;;;;;"Lomize AL, Pogozheva ID.: Physics-Based Method for Modeling Passive Membrane Permeability and Translocation Pathways of Bioactive Molecules. J Chem Inf Model, Volume 59 (7), 2019";"PerMM web server"
Urea;MM00065;NC(N)=O;XSQUKJJJFZCRTK-UHFFFAOYSA-N;60.06;-0.98;1176;DB03904;URE;CHEMBL985;LEC;CPMM;25;0;"<a href=https://permm.phar.umich.edu/  target=_blank>PerMM web server</a>";;;;;;;;;-6.56;;;;;;;;;;;;"Lomize AL, Pogozheva ID.: Physics-Based Method for Modeling Passive Membrane Permeability and Translocation Pathways of Bioactive Molecules. J Chem Inf Model, Volume 59 (7), 2019";"PerMM web server"
"Valeric Acid";MM00710;CCCCC(=O)O;NQPDZGIKBAWPEJ-UHFFFAOYSA-N;102.13;1.26;7991;DB02406;LEA;CHEMBL268736;LEC;CPMM;25;0;"<a href=https://permm.phar.umich.edu/  target=_blank>PerMM web server</a>";;;;;;;;;-0.78;;;;;;;;;;;;"Lomize AL, Pogozheva ID.: Physics-Based Method for Modeling Passive Membrane Permeability and Translocation Pathways of Bioactive Molecules. J Chem Inf Model, Volume 59 (7), 2019";"PerMM web server"
"Valproic Acid";MM00711;CCCC(CCC)C(=O)O;NIJJYAXOARWZEE-UHFFFAOYSA-N;144.21;2.29;3121;DB00313;2PP;CHEMBL109;LEC;CPMM;25;0;"<a href=https://permm.phar.umich.edu/  target=_blank>PerMM web server</a>";;;;;;;;;0.88;;;;;;;;;;;;"Lomize AL, Pogozheva ID.: Physics-Based Method for Modeling Passive Membrane Permeability and Translocation Pathways of Bioactive Molecules. J Chem Inf Model, Volume 59 (7), 2019";"PerMM web server"
"Vanillic Acid";MM00712;COc1cc(C(=O)O)ccc1O;WKOLLVMJNQIZCI-UHFFFAOYSA-N;168.15;1.1;8468;DB02130;VNL;CHEMBL120568;LEC;CPMM;25;0;"<a href=https://permm.phar.umich.edu/  target=_blank>PerMM web server</a>";;;;;;;;;-4.57;;;;;;;;;;;;"Lomize AL, Pogozheva ID.: Physics-Based Method for Modeling Passive Membrane Permeability and Translocation Pathways of Bioactive Molecules. J Chem Inf Model, Volume 59 (7), 2019";"PerMM web server"
Verapamil;MM00585;COc1ccc(CCN(C)CCCC(C#N)(c2ccc(OC)c(OC)c2)C(C)C)cc1OC;SGTNSNPWRIOYBX-UHFFFAOYSA-N;454.61;5.09;2520;DB00661;;CHEMBL6966;LEC;CPMM;25;0;"<a href=https://permm.phar.umich.edu/  target=_blank>PerMM web server</a>";;;;;;;;;-2.58;;;;;;;;;;;;"Lomize AL, Pogozheva ID.: Physics-Based Method for Modeling Passive Membrane Permeability and Translocation Pathways of Bioactive Molecules. J Chem Inf Model, Volume 59 (7), 2019";"PerMM web server"
Vincristine;MM00587;CCC1(O)CC2CN(CCc3c([nH]c4ccccc34)C(C(=O)OC)(c3cc4c(cc3OC)N(C=O)C3C(O)(C(=O)OC)C(OC(C)=O)C5(CC)C=CCN6CCC43C65)C2)C1;OGWKCGZFUXNPDA-UHFFFAOYSA-N;824.97;3.52;5978;DB00541;;CHEMBL90555;LEC;CPMM;25;0;"<a href=https://permm.phar.umich.edu/  target=_blank>PerMM web server</a>";;;;;;;;;-4.92;;;;;;;;;;;;"Lomize AL, Pogozheva ID.: Physics-Based Method for Modeling Passive Membrane Permeability and Translocation Pathways of Bioactive Molecules. J Chem Inf Model, Volume 59 (7), 2019";"PerMM web server"
Warfarin;MM00095;CC(=O)CC(c1ccccc1)c1c(O)c2ccccc2oc1=O;PJVWKTKQMONHTI-UHFFFAOYSA-N;308.33;3.61;54678486;DB00682;;CHEMBL1464;LEC;CPMM;25;0;"<a href=https://permm.phar.umich.edu/  target=_blank>PerMM web server</a>";;;;;;;;;0.15;;;;;;;;;;;;"Lomize AL, Pogozheva ID.: Physics-Based Method for Modeling Passive Membrane Permeability and Translocation Pathways of Bioactive Molecules. J Chem Inf Model, Volume 59 (7), 2019";"PerMM web server"
Xanthine;MM00432;O=c1[nH]c(=O)c2[nH]cnc2[nH]1;LRFVTYWOQMYALW-UHFFFAOYSA-N;152.11;-1.06;1188;DB02134;XAN;CHEMBL1424;LEC;CPMM;25;0;"<a href=https://permm.phar.umich.edu/  target=_blank>PerMM web server</a>";;;;;;;;;-8.85;;;;;;;;;;;;"Lomize AL, Pogozheva ID.: Physics-Based Method for Modeling Passive Membrane Permeability and Translocation Pathways of Bioactive Molecules. J Chem Inf Model, Volume 59 (7), 2019";"PerMM web server"
Zidovudine;MM00077;Cc1cn(C2CC(N=[N+]=[N-])C(CO)O2)c(=O)[nH]c1=O;HBOMLICNUCNMMY-UHFFFAOYSA-N;267.25;-0.2;35370;DB00495;AZZ;CHEMBL129;LEC;CPMM;25;0;"<a href=https://permm.phar.umich.edu/  target=_blank>PerMM web server</a>";;;;;;;;;-6.86;;;;;;;;;;;;"Lomize AL, Pogozheva ID.: Physics-Based Method for Modeling Passive Membrane Permeability and Translocation Pathways of Bioactive Molecules. J Chem Inf Model, Volume 59 (7), 2019";"PerMM web server"
5-[2-[4-(1,2-benzothiazol-3-yl)piperazin-1-yl]ethyl]-6-chloro-1,3-dihydroindol-2-one;MM00589;O=C1Cc2cc(CCN3CCN(c4nsc5ccccc45)CC3)c(Cl)cc2N1;MVWVFYHBGMAFLY-UHFFFAOYSA-N;412.95;3.81;60854;DB00246;;CHEMBL708;LEC;CPMM;25;0;"<a href=https://permm.phar.umich.edu/  target=_blank>PerMM web server</a>";;;;;;;;;-1.64;;;;;;;;;;;;"Lomize AL, Pogozheva ID.: Physics-Based Method for Modeling Passive Membrane Permeability and Translocation Pathways of Bioactive Molecules. J Chem Inf Model, Volume 59 (7), 2019";"PerMM web server"
(4S)-4-[[3-[2-(dimethylamino)ethyl]-1H-indol-5-yl]methyl]-1,3-oxazolidin-2-one;MM00590;CN(C)CCc1c[nH]c2ccc(CC3COC(=O)N3)cc12;ULSDMUVEXKOYBU-UHFFFAOYSA-N;287.36;1.92;60857;DB00315;;CHEMBL1185;LEC;CPMM;25;0;"<a href=https://permm.phar.umich.edu/  target=_blank>PerMM web server</a>";;;;;;;;;-4.93;;;;;;;;;;;;"Lomize AL, Pogozheva ID.: Physics-Based Method for Modeling Passive Membrane Permeability and Translocation Pathways of Bioactive Molecules. J Chem Inf Model, Volume 59 (7), 2019";"PerMM web server"
"12-Hydroxydodecanoic Acid";MM00593;O=C(O)CCCCCCCCCCCO;ZDHCZVWCTKTBRY-UHFFFAOYSA-N;216.32;2.96;79034;DB03704;12H;CHEMBL55068;LEC;CPMM;25;0;"<a href=https://permm.phar.umich.edu/  target=_blank>PerMM web server</a>";;;;;;;;;-0.55;;;;;;;;;;;;"Lomize AL, Pogozheva ID.: Physics-Based Method for Modeling Passive Membrane Permeability and Translocation Pathways of Bioactive Molecules. J Chem Inf Model, Volume 59 (7), 2019";"PerMM web server"
"2-Hydroxybutyric Acid";MM00597;CC[C@H](O)C(=O)O;AFENDNXGAFYKQO-VKHMYHEASA-N;104.11;-0.16;11266;;;;LEC;CPMM;25;0;"<a href=https://permm.phar.umich.edu/  target=_blank>PerMM web server</a>";;;;;;;;;-3.74;;;;;;;;;;;;"Lomize AL, Pogozheva ID.: Physics-Based Method for Modeling Passive Membrane Permeability and Translocation Pathways of Bioactive Molecules. J Chem Inf Model, Volume 59 (7), 2019";"PerMM web server"
"2-Hydroxycaproic Acid";MM00598;CCCC[C@H](O)C(=O)O;NYHNVHGFPZAZGA-YFKPBYRVSA-N;132.16;0.62;99824;;;;LEC;CPMM;25;0;"<a href=https://permm.phar.umich.edu/  target=_blank>PerMM web server</a>";;;;;;;;;-2.96;;;;;;;;;;;;"Lomize AL, Pogozheva ID.: Physics-Based Method for Modeling Passive Membrane Permeability and Translocation Pathways of Bioactive Molecules. J Chem Inf Model, Volume 59 (7), 2019";"PerMM web server"
"2-Hydroxynicotinic Acid";MM00599;O=C(O)c1ccc[nH]c1=O;UEYQJQVBUVAELZ-UHFFFAOYSA-N;139.11;0.07;69114;;;;LEC;CPMM;25;0;"<a href=https://permm.phar.umich.edu/  target=_blank>PerMM web server</a>";;;;;;;;;-3.22;;;;;;;;;;;;"Lomize AL, Pogozheva ID.: Physics-Based Method for Modeling Passive Membrane Permeability and Translocation Pathways of Bioactive Molecules. J Chem Inf Model, Volume 59 (7), 2019";"PerMM web server"
"2-Hydroxyvaleric Acid";MM00600;CCC[C@H](O)C(=O)O;JRHWHSJDIILJAT-BYPYZUCNSA-N;118.13;0.23;98009;;;;LEC;CPMM;25;0;"<a href=https://permm.phar.umich.edu/  target=_blank>PerMM web server</a>";;;;;;;;;-3.34;;;;;;;;;;;;"Lomize AL, Pogozheva ID.: Physics-Based Method for Modeling Passive Membrane Permeability and Translocation Pathways of Bioactive Molecules. J Chem Inf Model, Volume 59 (7), 2019";"PerMM web server"
"3,4-Dihydroxyphenylacetic Acid";MM00602;O=C(O)Cc1ccc(O)c(O)c1;CFFZDZCDUFSOFZ-UHFFFAOYSA-N;168.15;0.72;547;DB01702;DHY;CHEMBL1284;LEC;CPMM;25;0;"<a href=https://permm.phar.umich.edu/  target=_blank>PerMM web server</a>";;;;;;;;;-4.55;;;;;;;;;;;;"Lomize AL, Pogozheva ID.: Physics-Based Method for Modeling Passive Membrane Permeability and Translocation Pathways of Bioactive Molecules. J Chem Inf Model, Volume 59 (7), 2019";"PerMM web server"
"3-Hydroxyphenylacetic Acid";MM00604;O=C(O)Cc1cccc(O)c1;FVMDYYGIDFPZAX-UHFFFAOYSA-N;152.15;1.02;12122;;;190035;LEC;CPMM;25;0;"<a href=https://permm.phar.umich.edu/  target=_blank>PerMM web server</a>";;;;;;;;;-2.99;;;;;;;;;;;;"Lomize AL, Pogozheva ID.: Physics-Based Method for Modeling Passive Membrane Permeability and Translocation Pathways of Bioactive Molecules. J Chem Inf Model, Volume 59 (7), 2019";"PerMM web server"
Adenosine;MM00325;Nc1ncnc2c1ncn2[C@@H]1O[C@H](CO)[C@@H](O)[C@H]1O;OIRDTQYFTABQOQ-KQYNXXCUSA-N;267.25;-1.98;60961;DB00640;ADN;CHEMBL477;LEC;CPMM;25;0;"<a href=https://permm.phar.umich.edu/  target=_blank>PerMM web server</a>";;;;;;;;;-13.1;;;;;;;;;;;;"Lomize AL, Pogozheva ID.: Physics-Based Method for Modeling Passive Membrane Permeability and Translocation Pathways of Bioactive Molecules. J Chem Inf Model, Volume 59 (7), 2019";"PerMM web server"
"Methyl 5-(propylsulfinyl)-1h-benzimidazol-2-ylcarbamate";MM00326;CCCSc1ccc2nc(NC(=O)OC)[nH]c2c1;HXHWSAZORRCQMX-UHFFFAOYSA-N;265.34;3.24;2082;DB00518;ALW;CHEMBL1483;LEC;CPMM;25;0;"<a href=https://permm.phar.umich.edu/  target=_blank>PerMM web server</a>";;;;;;;;;-3.74;;;;;;;;;;;;"Lomize AL, Pogozheva ID.: Physics-Based Method for Modeling Passive Membrane Permeability and Translocation Pathways of Bioactive Molecules. J Chem Inf Model, Volume 59 (7), 2019";"PerMM web server"
Alfentanil;MM00439;CCC(=O)N(c1ccccc1)C1(COC)CCN(CCn2nnn(CC)c2=O)CC1;IDBPHNDTYPBSNI-UHFFFAOYSA-N;416.53;1.38;51263;DB00802;;CHEMBL634;LEC;CPMM;25;0;"<a href=https://permm.phar.umich.edu/  target=_blank>PerMM web server</a>";;;;;;;;;-1.36;;;;;;;;;;;;"Lomize AL, Pogozheva ID.: Physics-Based Method for Modeling Passive Membrane Permeability and Translocation Pathways of Bioactive Molecules. J Chem Inf Model, Volume 59 (7), 2019";"PerMM web server"
Alprazolam;MM00329;Cc1nnc2n1-c1ccc(Cl)cc1C(c1ccccc1)=NC2;IYQBGWNRKQNSIE-LQAWEQHXSA-N;314.82;2.62;2118;DB00404;08H;CHEMBL661;LEC;CPMM;25;0;"<a href=https://permm.phar.umich.edu/  target=_blank>PerMM web server</a>";;;;;;;;;2.2;;;;;;;;;;;;"Lomize AL, Pogozheva ID.: Physics-Based Method for Modeling Passive Membrane Permeability and Translocation Pathways of Bioactive Molecules. J Chem Inf Model, Volume 59 (7), 2019";"PerMM web server"
3-(4-aminophenyl)-3-ethylpiperidine-2,6-dione;MM00330;CC[C@@]1(c2ccc(N)cc2)CCC(=O)NC1=O;ROBVIMPUHSLWNV-ZDUSSCGKSA-N;232.28;1.35;2145;DB00357;;CHEMBL488;LEC;CPMM;25;0;"<a href=https://permm.phar.umich.edu/  target=_blank>PerMM web server</a>";;;;;;;;;-3.93;;;;;;;;;;;;"Lomize AL, Pogozheva ID.: Physics-Based Method for Modeling Passive Membrane Permeability and Translocation Pathways of Bioactive Molecules. J Chem Inf Model, Volume 59 (7), 2019";"PerMM web server"
(2-butyl-1-benzofuran-3-yl){4-[2-(diethylamino)ethoxy]-3,5-diiodophenyl}methanone;MM00443;CCCCc1oc2ccccc2c1C(=O)c1cc(I)c(OCCN(CC)CC)c(I)c1;IYIKLHRQXLHMJQ-UHFFFAOYSA-N;645.32;6.94;2157;DB01118;BBI;CHEMBL633;LEC;CPMM;25;0;"<a href=https://permm.phar.umich.edu/  target=_blank>PerMM web server</a>";;;;;;;;;3.29;;;;;;;;;;;;"Lomize AL, Pogozheva ID.: Physics-Based Method for Modeling Passive Membrane Permeability and Translocation Pathways of Bioactive Molecules. J Chem Inf Model, Volume 59 (7), 2019";"PerMM web server"
Amitriptyline;MM00444;CN(C)CCC=C1c2ccccc2CCc2ccccc21;KRMDCWKBEZIMAB-UHFFFAOYSA-N;277.41;4.17;2160;DB00321;TP0;CHEMBL629;LEC;CPMM;25;0;"<a href=https://permm.phar.umich.edu/  target=_blank>PerMM web server</a>";;;;;;;;;3.79;;;;;;;;;;;;"Lomize AL, Pogozheva ID.: Physics-Based Method for Modeling Passive Membrane Permeability and Translocation Pathways of Bioactive Molecules. J Chem Inf Model, Volume 59 (7), 2019";"PerMM web server"
Amlodipine;MM00098;CCOC(=O)C1=C(COCCN)NC(C)=C(C(=O)OC)[C@H]1c1ccccc1Cl;HTIQEAQVCYTUBX-QGZVFWFLSA-N;408.88;2.27;2162;DB00381;;CHEMBL1491;LEC;CPMM;25;0;"<a href=https://permm.phar.umich.edu/  target=_blank>PerMM web server</a>";;;;;;;;;-4.04;;;;;;;;;;;;"Lomize AL, Pogozheva ID.: Physics-Based Method for Modeling Passive Membrane Permeability and Translocation Pathways of Bioactive Molecules. J Chem Inf Model, Volume 59 (7), 2019";"PerMM web server"
"Ascorbic Acid";MM00628;O=C1O[C@H]([C@@H](O)CO)C(O)=C1O;CIWBSHSKHKDKBQ-JLAZNSOCSA-N;176.12;-1.41;54670067;DB00126;ASC;CHEMBL196;LEC;CPMM;25;0;"<a href=https://permm.phar.umich.edu/  target=_blank>PerMM web server</a>";;;;;;;;;-11;;;;;;;;;;;;"Lomize AL, Pogozheva ID.: Physics-Based Method for Modeling Passive Membrane Permeability and Translocation Pathways of Bioactive Molecules. J Chem Inf Model, Volume 59 (7), 2019";"PerMM web server"
Astemizole;MM00448;COc1ccc(CCN2CCC(Nc3nc4ccccc4n3Cc3ccc(F)cc3)CC2)cc1;GXDALQBWZGODGZ-UHFFFAOYSA-N;458.58;5.35;2247;DB00637;;CHEMBL296419;LEC;CPMM;25;0;"<a href=https://permm.phar.umich.edu/  target=_blank>PerMM web server</a>";;;;;;;;;1.68;;;;;;;;;;;;"Lomize AL, Pogozheva ID.: Physics-Based Method for Modeling Passive Membrane Permeability and Translocation Pathways of Bioactive Molecules. J Chem Inf Model, Volume 59 (7), 2019";"PerMM web server"
Atomoxetine;MM00449;CNCCC(Oc1ccccc1C)c1ccccc1;VHGCDTVCOLNTBX-QGZVFWFLSA-N;255.36;3.72;54841;DB00289;;CHEMBL641;LEC;CPMM;25;0;"<a href=https://permm.phar.umich.edu/  target=_blank>PerMM web server</a>";;;;;;;;;2.94;;;;;;;;;;;;"Lomize AL, Pogozheva ID.: Physics-Based Method for Modeling Passive Membrane Permeability and Translocation Pathways of Bioactive Molecules. J Chem Inf Model, Volume 59 (7), 2019";"PerMM web server"
Benazepril;MM00629;CCOC(=O)[C@H](CCc1ccccc1)N[C@H]1CCc2ccccc2N(CC(=O)O)C1=O;XPCFTKFZXHTYIP-PMACEKPBSA-N;424.5;2.57;5362124;DB00542;;CHEMBL838;LEC;CPMM;25;0;"<a href=https://permm.phar.umich.edu/  target=_blank>PerMM web server</a>";;;;;;;;;1.21;;;;;;;;;;;;"Lomize AL, Pogozheva ID.: Physics-Based Method for Modeling Passive Membrane Permeability and Translocation Pathways of Bioactive Molecules. J Chem Inf Model, Volume 59 (7), 2019";"PerMM web server"
Bendroflumethiazide;MM00336;NS(=O)(=O)c1cc2c(cc1C(F)(F)F)N[C@@H](Cc1ccccc1)NS2(=O)=O;HDWIHXWEUNVBIY-CQSZACIVSA-N;421.42;1.63;2315;DB00436;;CHEMBL1684;LEC;CPMM;25;0;"<a href=https://permm.phar.umich.edu/  target=_blank>PerMM web server</a>";;;;;;;;;-6.24;;;;;;;;;;;;"Lomize AL, Pogozheva ID.: Physics-Based Method for Modeling Passive Membrane Permeability and Translocation Pathways of Bioactive Molecules. J Chem Inf Model, Volume 59 (7), 2019";"PerMM web server"
3-(benzylsulfanylmethyl)-6-chloro-1,1-dioxo-4H-1lambda6,2,4-benzothiadiazine-7-sulfonamide;MM00631;NS(=O)(=O)c1cc2c(cc1Cl)N[C@H](CSCc1ccccc1)NS2(=O)=O;ZUNJWRJEKCRIMZ-HNNXBMFYSA-N;433.96;1.95;2343;DB00562;;CHEMBL1201039;LEC;CPMM;25;0;"<a href=https://permm.phar.umich.edu/  target=_blank>PerMM web server</a>";;;;;;;;;-6.79;;;;;;;;;;;;"Lomize AL, Pogozheva ID.: Physics-Based Method for Modeling Passive Membrane Permeability and Translocation Pathways of Bioactive Molecules. J Chem Inf Model, Volume 59 (7), 2019";"PerMM web server"
"1-isobutoxy-2-pyrrolidino-3[n-benzylanilino] propane";MM00451;CC(C)COC[C@@H](CN(Cc1ccccc1)c1ccccc1)N1CCCC1;UIEATEWHFDRYRU-XMMPIXPASA-N;366.55;4.83;2351;DB01244;BEP;CHEMBL1008;LEC;CPMM;25;0;"<a href=https://permm.phar.umich.edu/  target=_blank>PerMM web server</a>";;;;;;;;;4.43;;;;;;;;;;;;"Lomize AL, Pogozheva ID.: Physics-Based Method for Modeling Passive Membrane Permeability and Translocation Pathways of Bioactive Molecules. J Chem Inf Model, Volume 59 (7), 2019";"PerMM web server"
Budesonide;MM00339;CCC[C@@H]1O[C@@H]2C[C@H]3[C@@H]4CCC5=CC(=O)C=C[C@]5(C)[C@H]4[C@@H](O)C[C@]3(C)[C@]2(C(=O)CO)O1;VOVIALXJUBGFJZ-VXKMTNQYSA-N;430.54;2.72;5281004;DB01222;;CHEMBL1370;LEC;CPMM;25;0;"<a href=https://permm.phar.umich.edu/  target=_blank>PerMM web server</a>";;;;;;;;;-3.36;;;;;;;;;;;;"Lomize AL, Pogozheva ID.: Physics-Based Method for Modeling Passive Membrane Permeability and Translocation Pathways of Bioactive Molecules. J Chem Inf Model, Volume 59 (7), 2019";"PerMM web server"
1-butyl-N-(2,6-dimethylphenyl)piperidine-2-carboxamide;MM00454;CCCCN1CCCC[C@H]1C(=O)Nc1c(C)cccc1C;LEBVLXFERQHONN-INIZCTEOSA-N;288.44;3.9;2474;DB00297;;CHEMBL1098;LEC;CPMM;25;0;"<a href=https://permm.phar.umich.edu/  target=_blank>PerMM web server</a>";;;;;;;;;2.66;;;;;;;;;;;;"Lomize AL, Pogozheva ID.: Physics-Based Method for Modeling Passive Membrane Permeability and Translocation Pathways of Bioactive Molecules. J Chem Inf Model, Volume 59 (7), 2019";"PerMM web server"
Bupropion;MM00455;CC(NC(C)(C)C)C(=O)c1cccc(Cl)c1;SNPPWIUOZRMYNY-VIFPVBQESA-N;239.75;3.3;444;DB01156;;CHEMBL894;LEC;CPMM;25;0;"<a href=https://permm.phar.umich.edu/  target=_blank>PerMM web server</a>";;;;;;;;;1.83;;;;;;;;;;;;"Lomize AL, Pogozheva ID.: Physics-Based Method for Modeling Passive Membrane Permeability and Translocation Pathways of Bioactive Molecules. J Chem Inf Model, Volume 59 (7), 2019";"PerMM web server"
8-[4-(4-pyrimidin-2-ylpiperazin-1-yl)butyl]-8-azaspiro[4.5]decane-7,9-dione;MM00456;O=C1CC2(CCCC2)CC(=O)N1CCCCN1CCN(c2ncccn2)CC1;QWCRAEMEVRGPNT-UHFFFAOYSA-N;385.51;2.09;2477;DB00490;;CHEMBL49;LEC;CPMM;25;0;"<a href=https://permm.phar.umich.edu/  target=_blank>PerMM web server</a>";;;;;;;;;-1.38;;;;;;;;;;;;"Lomize AL, Pogozheva ID.: Physics-Based Method for Modeling Passive Membrane Permeability and Translocation Pathways of Bioactive Molecules. J Chem Inf Model, Volume 59 (7), 2019";"PerMM web server"
1-butanol;MM00340;CCCCO;LRHPLDYGYMQRHN-UHFFFAOYSA-N;74.12;0.78;263;DB02145;1BO;CHEMBL14245;LEC;CPMM;25;0;"<a href=https://permm.phar.umich.edu/  target=_blank>PerMM web server</a>";;;;;;;;;-0.49;;;;;;;;;;;;"Lomize AL, Pogozheva ID.: Physics-Based Method for Modeling Passive Membrane Permeability and Translocation Pathways of Bioactive Molecules. J Chem Inf Model, Volume 59 (7), 2019";"PerMM web server"
1-Butylamine;MM00435;CCCCN;HQABUPZFAYXKJW-UHFFFAOYSA-N;73.14;0.75;8007;DB03659;LYT;CHEMBL13968;LEC;CPMM;25;0;"<a href=https://permm.phar.umich.edu/  target=_blank>PerMM web server</a>";;;;;;;;;-0.22;;;;;;;;;;;;"Lomize AL, Pogozheva ID.: Physics-Based Method for Modeling Passive Membrane Permeability and Translocation Pathways of Bioactive Molecules. J Chem Inf Model, Volume 59 (7), 2019";"PerMM web server"
1-(9H-carbazol-4-yloxy)-3-[2-(2-methoxyphenoxy)ethylamino]propan-2-ol;MM00458;COc1ccccc1OCCNCC(O)COc1cccc2[nH]c3ccccc3c12;OGHNVEJMJSYVRP-UHFFFAOYSA-N;406.48;3.74;2585;DB01136;;CHEMBL723;LEC;CPMM;25;0;"<a href=https://permm.phar.umich.edu/  target=_blank>PerMM web server</a>";;;;;;;;;-0.9;;;;;;;;;;;;"Lomize AL, Pogozheva ID.: Physics-Based Method for Modeling Passive Membrane Permeability and Translocation Pathways of Bioactive Molecules. J Chem Inf Model, Volume 59 (7), 2019";"PerMM web server"
Chlorthalidone;MM00343;NS(=O)(=O)c1cc(C2(O)NC(=O)c3ccccc32)ccc1Cl;JIVPVXMEBJLZRO-UHFFFAOYSA-N;338.77;0.92;2732;DB00310;;CHEMBL1055;LEC;CPMM;25;0;"<a href=https://permm.phar.umich.edu/  target=_blank>PerMM web server</a>";;;;;;;;;-6.91;;;;;;;;;;;;"Lomize AL, Pogozheva ID.: Physics-Based Method for Modeling Passive Membrane Permeability and Translocation Pathways of Bioactive Molecules. J Chem Inf Model, Volume 59 (7), 2019";"PerMM web server"
1-benzhydryl-4-[(E)-3-phenylprop-2-enyl]piperazine;MM00464;C(=Cc1ccccc1)CN1CCN(C(c2ccccc2)c2ccccc2)CC1;DERZBLKQOCDDDZ-UHFFFAOYSA-N;368.52;5.11;1547484;DB00568;;CHEMBL43064;LEC;CPMM;25;0;"<a href=https://permm.phar.umich.edu/  target=_blank>PerMM web server</a>";;;;;;;;;4.91;;;;;;;;;;;;"Lomize AL, Pogozheva ID.: Physics-Based Method for Modeling Passive Membrane Permeability and Translocation Pathways of Bioactive Molecules. J Chem Inf Model, Volume 59 (7), 2019";"PerMM web server"
"Citric Acid";MM00642;O=C(O)CC(O)(CC(=O)O)C(=O)O;KRKNYBCHXYNGOX-UHFFFAOYSA-N;192.12;-1.25;311;DB04272;CIT;CHEMBL1261;LEC;CPMM;25;0;"<a href=https://permm.phar.umich.edu/  target=_blank>PerMM web server</a>";;;;;;;;;-10.12;;;;;;;;;;;;"Lomize AL, Pogozheva ID.: Physics-Based Method for Modeling Passive Membrane Permeability and Translocation Pathways of Bioactive Molecules. J Chem Inf Model, Volume 59 (7), 2019";"PerMM web server"
1-[(2-chlorophenyl)-diphenylmethyl]imidazole;MM00468;Clc1ccccc1C(c1ccccc1)(c1ccccc1)n1ccnc1;VNFPBHJOKIVQEB-UHFFFAOYSA-N;344.85;5.38;2812;DB00257;CL6;CHEMBL104;LEC;CPMM;25;0;"<a href=https://permm.phar.umich.edu/  target=_blank>PerMM web server</a>";;;;;;;;;4.13;;;;;;;;;;;;"Lomize AL, Pogozheva ID.: Physics-Based Method for Modeling Passive Membrane Permeability and Translocation Pathways of Bioactive Molecules. J Chem Inf Model, Volume 59 (7), 2019";"PerMM web server"
Corticosterone;MM00346;CC12CCC(=O)C=C1CCC1C2C(O)CC2(C)C(C(=O)CO)CCC12;OMFXVFTZEKFJBZ-UHFFFAOYSA-N;346.47;2.67;5753;DB04652;C0R;CHEMBL110739;LEC;CPMM;25;0;"<a href=https://permm.phar.umich.edu/  target=_blank>PerMM web server</a>";;;;;;;;;-3.14;;;;;;;;;;;;"Lomize AL, Pogozheva ID.: Physics-Based Method for Modeling Passive Membrane Permeability and Translocation Pathways of Bioactive Molecules. J Chem Inf Model, Volume 59 (7), 2019";"PerMM web server"
Cortisone;MM00347;CC12CCC(O)C=C1CCC1C2C(=O)CC2(C)C1CCC2(O)C(=O)CO;LPYXTAPPNYMYOP-UHFFFAOYSA-N;362.47;1.78;222786;;;;LEC;CPMM;25;0;"<a href=https://permm.phar.umich.edu/  target=_blank>PerMM web server</a>";;;;;;;;;-5.55;;;;;;;;;;;;"Lomize AL, Pogozheva ID.: Physics-Based Method for Modeling Passive Membrane Permeability and Translocation Pathways of Bioactive Molecules. J Chem Inf Model, Volume 59 (7), 2019";"PerMM web server"
Cyclothiazide;MM00350;NS(=O)(=O)c1cc2c(cc1Cl)NC(C1CC3C=CC1C3)NS2(=O)=O;BOCUKUHCLICSIY-UHFFFAOYSA-N;389.89;1.23;2910;DB00606;CYZ;CHEMBL61593;LEC;CPMM;25;0;"<a href=https://permm.phar.umich.edu/  target=_blank>PerMM web server</a>";;;;;;;;;-6;;;;;;;;;;;;"Lomize AL, Pogozheva ID.: Physics-Based Method for Modeling Passive Membrane Permeability and Translocation Pathways of Bioactive Molecules. J Chem Inf Model, Volume 59 (7), 2019";"PerMM web server"
4-(dibenzo[1,2-a:2',1'-d][7]annulen-11-ylidene)-1-methyl-piperidine;MM00472;CN1CCC(=C2c3ccccc3C=Cc3ccccc32)CC1;JJCFRYNCJDLXIK-UHFFFAOYSA-N;287.41;4.7;2913;DB00434;C7H;CHEMBL516;LEC;CPMM;25;0;"<a href=https://permm.phar.umich.edu/  target=_blank>PerMM web server</a>";;;;;;;;;3.88;;;;;;;;;;;;"Lomize AL, Pogozheva ID.: Physics-Based Method for Modeling Passive Membrane Permeability and Translocation Pathways of Bioactive Molecules. J Chem Inf Model, Volume 59 (7), 2019";"PerMM web server"
Danazol;MM00353;C#C[C@]1(O)CC[C@H]2[C@@H]3CCC4=Cc5oncc5C[C@]4(C)[C@H]3CC[C@@]21C;POZRVZJJTULAOH-LHZXLZLDSA-N;337.46;4.22;28417;DB01406;;CHEMBL1479;LEC;CPMM;25;0;"<a href=https://permm.phar.umich.edu/  target=_blank>PerMM web server</a>";;;;;;;;;2.48;;;;;;;;;;;;"Lomize AL, Pogozheva ID.: Physics-Based Method for Modeling Passive Membrane Permeability and Translocation Pathways of Bioactive Molecules. J Chem Inf Model, Volume 59 (7), 2019";"PerMM web server"
"Capric Acid";MM00635;CCCCCCCCCC(=O)O;GHVNFZFCNZKVNT-UHFFFAOYSA-N;172.27;3.21;2969;DB03600;DKA;CHEMBL107498;LEC;CPMM;25;0;"<a href=https://permm.phar.umich.edu/  target=_blank>PerMM web server</a>";;;;;;;;;1.18;;;;;;;;;;;;"Lomize AL, Pogozheva ID.: Physics-Based Method for Modeling Passive Membrane Permeability and Translocation Pathways of Bioactive Molecules. J Chem Inf Model, Volume 59 (7), 2019";"PerMM web server"
Cortexone;MM00037;CC12CCC(=O)C=C1CCC1C2CCC2(C)C(C(=O)CO)CCC12;ZESRJSPZRDMNHY-UHFFFAOYSA-N;330.47;3.7;6166;;;;LEC;CPMM;25;0;"<a href=https://permm.phar.umich.edu/  target=_blank>PerMM web server</a>";;;;;;;;;-1.21;;;;;;;;;;;;"Lomize AL, Pogozheva ID.: Physics-Based Method for Modeling Passive Membrane Permeability and Translocation Pathways of Bioactive Molecules. J Chem Inf Model, Volume 59 (7), 2019";"PerMM web server"
4-amino-1-[(2R,5S)-5-(hydroxymethyl)oxolan-2-yl]pyrimidin-2-one;MM00433;Nc1ccn(C2CCC(CO)O2)c(=O)n1;WREGKURFCTUGRC-UHFFFAOYSA-N;211.22;-0.5;24066;DB00943;;CHEMBL853;LEC;CPMM;25;0;"<a href=https://permm.phar.umich.edu/  target=_blank>PerMM web server</a>";;;;;;;;;-7.67;;;;;;;;;;;;"Lomize AL, Pogozheva ID.: Physics-Based Method for Modeling Passive Membrane Permeability and Translocation Pathways of Bioactive Molecules. J Chem Inf Model, Volume 59 (7), 2019";"PerMM web server"
"Dipicolinic Acid";MM00643;O=C(O)c1cccc(C(=O)O)n1;WJJMNDUMQPNECX-UHFFFAOYSA-N;167.12;0.48;10367;DB04267;;;LEC;CPMM;25;0;"<a href=https://permm.phar.umich.edu/  target=_blank>PerMM web server</a>";;;;;;;;;-5.66;;;;;;;;;;;;"Lomize AL, Pogozheva ID.: Physics-Based Method for Modeling Passive Membrane Permeability and Translocation Pathways of Bioactive Molecules. J Chem Inf Model, Volume 59 (7), 2019";"PerMM web server"
Donepezil;MM00482;COc1cc2c(cc1OC)C(=O)C(CC1CCN(Cc3ccccc3)CC1)C2;ADEBPBSSDYVVLD-UHFFFAOYSA-N;379.5;4.36;3152;DB00843;;CHEMBL502;LEC;CPMM;25;0;"<a href=https://permm.phar.umich.edu/  target=_blank>PerMM web server</a>";;;;;;;;;0.02;;;;;;;;;;;;"Lomize AL, Pogozheva ID.: Physics-Based Method for Modeling Passive Membrane Permeability and Translocation Pathways of Bioactive Molecules. J Chem Inf Model, Volume 59 (7), 2019";"PerMM web server"
Enoxacin;MM00733;CCn1cc(C(=O)O)c(=O)c2cc(F)c(N3CCNCC3)nc21;IDYZIJYBMGIQMJ-UHFFFAOYSA-N;320.32;0.66;3229;DB00467;;CHEMBL826;LEC;CPMM;25;0;"<a href=https://permm.phar.umich.edu/  target=_blank>PerMM web server</a>";;;;;;;;;-4.8;;;;;;;;;;;;"Lomize AL, Pogozheva ID.: Physics-Based Method for Modeling Passive Membrane Permeability and Translocation Pathways of Bioactive Molecules. J Chem Inf Model, Volume 59 (7), 2019";"PerMM web server"
Enrofloxacin;MM00734;CCN1CCN(c2cc3c(cc2F)c(=O)c(C(=O)O)cn3C2CC2)CC1;SPFYMRJSYKOXGV-UHFFFAOYSA-N;359.4;2.32;71188;;;;LEC;CPMM;25;0;"<a href=https://permm.phar.umich.edu/  target=_blank>PerMM web server</a>";;;;;;;;;-3.23;;;;;;;;;;;;"Lomize AL, Pogozheva ID.: Physics-Based Method for Modeling Passive Membrane Permeability and Translocation Pathways of Bioactive Molecules. J Chem Inf Model, Volume 59 (7), 2019";"PerMM web server"
L-epinephrine;MM00644;CNCC(O)c1ccc(O)c(O)c1;UCTWMZQNUQWSLP-UHFFFAOYSA-N;183.21;0.35;5816;DB00668;ALE;CHEMBL679;LEC;CPMM;25;0;"<a href=https://permm.phar.umich.edu/  target=_blank>PerMM web server</a>";;;;;;;;;-5.48;;;;;;;;;;;;"Lomize AL, Pogozheva ID.: Physics-Based Method for Modeling Passive Membrane Permeability and Translocation Pathways of Bioactive Molecules. J Chem Inf Model, Volume 59 (7), 2019";"PerMM web server"
Ergonovine;MM00487;CC(CO)NC(=O)C1C=C2c3cccc4[nH]cc(c34)CC2N(C)C1;WVVSZNPYNCNODU-UHFFFAOYSA-N;325.41;1.53;443884;DB01253;;CHEMBL119443;LEC;CPMM;25;0;"<a href=https://permm.phar.umich.edu/  target=_blank>PerMM web server</a>";;;;;;;;;-3.63;;;;;;;;;;;;"Lomize AL, Pogozheva ID.: Physics-Based Method for Modeling Passive Membrane Permeability and Translocation Pathways of Bioactive Molecules. J Chem Inf Model, Volume 59 (7), 2019";"PerMM web server"
Ergotamine;MM00488;CN1C[C@H](C(=O)N[C@]2(C)O[C@@]3(O)[C@@H]4CCCN4C(=O)[C@H](Cc4ccccc4)N3C2=O)C=C2c3cccc4[nH]cc(c34)C[C@H]21;XCGSFFUVFURLIX-VFGNJEKYSA-N;581.67;1.99;8223;DB00696;ERM;CHEMBL442;LEC;CPMM;25;0;"<a href=https://permm.phar.umich.edu/  target=_blank>PerMM web server</a>";;;;;;;;;-3.99;;;;;;;;;;;;"Lomize AL, Pogozheva ID.: Physics-Based Method for Modeling Passive Membrane Permeability and Translocation Pathways of Bioactive Molecules. J Chem Inf Model, Volume 59 (7), 2019";"PerMM web server"
Ethanolamine;MM00490;NCCO;HZAXFHJVJLSVMW-UHFFFAOYSA-N;61.08;-1.06;700;DB03994;ETA;CHEMBL104943;LEC;CPMM;25;0;"<a href=https://permm.phar.umich.edu/  target=_blank>PerMM web server</a>";;;;;;;;;-4.65;;;;;;;;;;;;"Lomize AL, Pogozheva ID.: Physics-Based Method for Modeling Passive Membrane Permeability and Translocation Pathways of Bioactive Molecules. J Chem Inf Model, Volume 59 (7), 2019";"PerMM web server"
Felodipine;MM00363;CCOC(=O)C1=C(C)NC(C)=C(C(=O)OC)C1c1cccc(Cl)c1Cl;RZTAMFZIAATZDJ-UHFFFAOYSA-N;384.26;3.96;3333;DB01023;;CHEMBL1480;LEC;CPMM;25;0;"<a href=https://permm.phar.umich.edu/  target=_blank>PerMM web server</a>";;;;;;;;;-1.14;;;;;;;;;;;;"Lomize AL, Pogozheva ID.: Physics-Based Method for Modeling Passive Membrane Permeability and Translocation Pathways of Bioactive Molecules. J Chem Inf Model, Volume 59 (7), 2019";"PerMM web server"
2-[4-[3-[2-(trifluoromethyl)phenothiazin-10-yl]propyl]piperazin-1-yl]ethanol;MM00494;OCCN1CCN(CCCN2c3ccccc3Sc3ccc(C(F)(F)F)cc32)CC1;PLDUPXSUYLZYBN-UHFFFAOYSA-N;437.53;4.31;3372;DB00623;;CHEMBL726;LEC;CPMM;25;0;"<a href=https://permm.phar.umich.edu/  target=_blank>PerMM web server</a>";;;;;;;;;-1.55;;;;;;;;;;;;"Lomize AL, Pogozheva ID.: Physics-Based Method for Modeling Passive Membrane Permeability and Translocation Pathways of Bioactive Molecules. J Chem Inf Model, Volume 59 (7), 2019";"PerMM web server"
Flurbiprofen;MM00647;CC(C(=O)O)c1ccc(-c2ccccc2)c(F)c1;SYTBZMRGLBWNTM-UHFFFAOYSA-N;244.27;3.68;3394;DB00712;;CHEMBL563;LEC;CPMM;25;0;"<a href=https://permm.phar.umich.edu/  target=_blank>PerMM web server</a>";;;;;;;;;1.03;;;;;;;;;;;;"Lomize AL, Pogozheva ID.: Physics-Based Method for Modeling Passive Membrane Permeability and Translocation Pathways of Bioactive Molecules. J Chem Inf Model, Volume 59 (7), 2019";"PerMM web server"
Fluvoxamine;MM00495;COCCCCC(=NOCCN)c1ccc(C(F)(F)F)cc1;CJOFXWAVKWHTFT-UHFFFAOYSA-N;318.34;3.2;5324346;DB00176;FVX;CHEMBL814;LEC;CPMM;25;0;"<a href=https://permm.phar.umich.edu/  target=_blank>PerMM web server</a>";;;;;;;;;-1.59;;;;;;;;;;;;"Lomize AL, Pogozheva ID.: Physics-Based Method for Modeling Passive Membrane Permeability and Translocation Pathways of Bioactive Molecules. J Chem Inf Model, Volume 59 (7), 2019";"PerMM web server"
(2R,3S,4R,5S)-hexane-1,2,3,4,5,6-hexol;MM00366;OC[C@H](O)[C@@H](O)[C@@H](O)[C@H](O)CO;FBPFZTCFMRRESA-GUCUJZIJSA-N;182.17;-3.59;11850;;;;LEC;CPMM;25;0;"<a href=https://permm.phar.umich.edu/  target=_blank>PerMM web server</a>";;;;;;;;;-12.79;;;;;;;;;;;;"Lomize AL, Pogozheva ID.: Physics-Based Method for Modeling Passive Membrane Permeability and Translocation Pathways of Bioactive Molecules. J Chem Inf Model, Volume 59 (7), 2019";"PerMM web server"
Galantamine;MM00496;COc1ccc2c3c1OC1CC(O)C=CC31CCN(C)C2;ASUTZQLVASHGKV-UHFFFAOYSA-N;287.36;1.85;9651;DB00674;GNT;CHEMBL659;LEC;CPMM;25;0;"<a href=https://permm.phar.umich.edu/  target=_blank>PerMM web server</a>";;;;;;;;;-1.62;;;;;;;;;;;;"Lomize AL, Pogozheva ID.: Physics-Based Method for Modeling Passive Membrane Permeability and Translocation Pathways of Bioactive Molecules. J Chem Inf Model, Volume 59 (7), 2019";"PerMM web server"
Gatifloxacin;MM00738;COc1c(N2CCNC(C)C2)c(F)cc2c(=O)c(C(=O)O)cn(C3CC3)c12;XUBOMFCQGDBHNK-UHFFFAOYSA-N;375.4;1.98;5379;DB01044;;CHEMBL31;LEC;CPMM;25;0;"<a href=https://permm.phar.umich.edu/  target=_blank>PerMM web server</a>";;;;;;;;;-4.43;;;;;;;;;;;;"Lomize AL, Pogozheva ID.: Physics-Based Method for Modeling Passive Membrane Permeability and Translocation Pathways of Bioactive Molecules. J Chem Inf Model, Volume 59 (7), 2019";"PerMM web server"
"5-(2,5-dimethylphenoxy)-2,2-dimethylpentanoic acid";MM00650;Cc1ccc(C)c(OCCCC(C)(C)C(=O)O)c1;HEMJJKBWTPKOJG-UHFFFAOYSA-N;250.34;3.57;3463;DB01241;4TX;CHEMBL457;LEC;CPMM;25;0;"<a href=https://permm.phar.umich.edu/  target=_blank>PerMM web server</a>";;;;;;;;;1.85;;;;;;;;;;;;"Lomize AL, Pogozheva ID.: Physics-Based Method for Modeling Passive Membrane Permeability and Translocation Pathways of Bioactive Molecules. J Chem Inf Model, Volume 59 (7), 2019";"PerMM web server"
Griseofulvin;MM00369;COC1=CC(=O)CC(C)C12Oc1c(Cl)c(OC)cc(OC)c1C2=O;DDUHZTYCFQRHIY-UHFFFAOYSA-N;352.77;2.81;441140;DB00400;;CHEMBL562;LEC;CPMM;25;0;"<a href=https://permm.phar.umich.edu/  target=_blank>PerMM web server</a>";;;;;;;;;-5.86;;;;;;;;;;;;"Lomize AL, Pogozheva ID.: Physics-Based Method for Modeling Passive Membrane Permeability and Translocation Pathways of Bioactive Molecules. J Chem Inf Model, Volume 59 (7), 2019";"PerMM web server"
Guanidine;MM00498;N=C(N)N;ZRALSGWEFCBTJO-UHFFFAOYSA-N;59.07;-1.16;3520;DB00536;GAI;CHEMBL821;LEC;CPMM;25;0;"<a href=https://permm.phar.umich.edu/  target=_blank>PerMM web server</a>";;;;;;;;;-6.21;;;;;;;;;;;;"Lomize AL, Pogozheva ID.: Physics-Based Method for Modeling Passive Membrane Permeability and Translocation Pathways of Bioactive Molecules. J Chem Inf Model, Volume 59 (7), 2019";"PerMM web server"
Haloperidol;MM00499;O=C(CCCN1CCC(O)(c2ccc(Cl)cc2)CC1)c1ccc(F)cc1;LNEPOXFFQSENCJ-UHFFFAOYSA-N;375.87;4.43;3559;DB00502;;CHEMBL54;LEC;CPMM;25;0;"<a href=https://permm.phar.umich.edu/  target=_blank>PerMM web server</a>";;;;;;;;;0.62;;;;;;;;;;;;"Lomize AL, Pogozheva ID.: Physics-Based Method for Modeling Passive Membrane Permeability and Translocation Pathways of Bioactive Molecules. J Chem Inf Model, Volume 59 (7), 2019";"PerMM web server"
Hesperetin;MM00371;COc1ccc(C2CC(=O)c3c(O)cc(O)cc3O2)cc1O;AIONOLUJZLIMTK-AWEZNQCLSA-N;302.28;2.52;72281;DB01094;6JP;CHEMBL399121;LEC;CPMM;25;0;"<a href=https://permm.phar.umich.edu/  target=_blank>PerMM web server</a>";;;;;;;;;-6.35;;;;;;;;;;;;"Lomize AL, Pogozheva ID.: Physics-Based Method for Modeling Passive Membrane Permeability and Translocation Pathways of Bioactive Molecules. J Chem Inf Model, Volume 59 (7), 2019";"PerMM web server"
Histamine;MM00500;NCCc1cnc[nH]1;NTYJJOPFIAHURM-UHFFFAOYSA-N;111.15;-0.09;774;DB05381;HSM;CHEMBL90;LEC;CPMM;25;0;"<a href=https://permm.phar.umich.edu/  target=_blank>PerMM web server</a>";;;;;;;;;-3.32;;;;;;;;;;;;"Lomize AL, Pogozheva ID.: Physics-Based Method for Modeling Passive Membrane Permeability and Translocation Pathways of Bioactive Molecules. J Chem Inf Model, Volume 59 (7), 2019";"PerMM web server"
1-hydrazinophthalazine;MM00501;NNc1nncc2ccccc12;RPTUSVTUFVMDQK-UHFFFAOYSA-N;160.18;0.92;3637;DB01275;HLZ;CHEMBL276832;LEC;CPMM;25;0;"<a href=https://permm.phar.umich.edu/  target=_blank>PerMM web server</a>";;;;;;;;;2.15;;;;;;;;;;;;"Lomize AL, Pogozheva ID.: Physics-Based Method for Modeling Passive Membrane Permeability and Translocation Pathways of Bioactive Molecules. J Chem Inf Model, Volume 59 (7), 2019";"PerMM web server"
Imatinib;MM00503;Cc1ccc(NC(=O)c2ccc(CN3CCN(C)CC3)cc2)cc1Nc1nccc(-c2cccnc2)n1;KTUFNOKKBVMGRW-UHFFFAOYSA-N;493.62;4.59;5291;DB00619;STI;CHEMBL941;LEC;CPMM;25;0;"<a href=https://permm.phar.umich.edu/  target=_blank>PerMM web server</a>";;;;;;;;;-2.11;;;;;;;;;;;;"Lomize AL, Pogozheva ID.: Physics-Based Method for Modeling Passive Membrane Permeability and Translocation Pathways of Bioactive Molecules. J Chem Inf Model, Volume 59 (7), 2019";"PerMM web server"
Propan-2-ol;MM00380;CC(C)O;KFZMGEQAYNKOFK-UHFFFAOYSA-N;60.1;0.39;3776;DB02325;IPA;CHEMBL582;LEC;CPMM;25;0;"<a href=https://permm.phar.umich.edu/  target=_blank>PerMM web server</a>";;;;;;;;;-0.21;;;;;;;;;;;;"Lomize AL, Pogozheva ID.: Physics-Based Method for Modeling Passive Membrane Permeability and Translocation Pathways of Bioactive Molecules. J Chem Inf Model, Volume 59 (7), 2019";"PerMM web server"
Isotretinoin;MM00594;CC(C=CC1=C(C)CCCC1(C)C)=CC=CC(C)=CC(=O)O;SHGAZHPCJJPHSC-UHFFFAOYSA-N;300.44;5.6;5282379;DB00982;;;LEC;CPMM;25;0;"<a href=https://permm.phar.umich.edu/  target=_blank>PerMM web server</a>";;;;;;;;;4.22;;;;;;;;;;;;"Lomize AL, Pogozheva ID.: Physics-Based Method for Modeling Passive Membrane Permeability and Translocation Pathways of Bioactive Molecules. J Chem Inf Model, Volume 59 (7), 2019";"PerMM web server"
Itraconazole;MM00381;CCC(C)n1ncn(-c2ccc(N3CCN(c4ccc(OCC5COC(Cn6cncn6)(c6ccc(Cl)cc6Cl)O5)cc4)CC3)cc2)c1=O;VHVPQPYKVGDNFY-UHFFFAOYSA-N;705.65;5.58;3793;DB01167;;CHEMBL64391;LEC;CPMM;25;0;"<a href=https://permm.phar.umich.edu/  target=_blank>PerMM web server</a>";;;;;;;;;-0.22;;;;;;;;;;;;"Lomize AL, Pogozheva ID.: Physics-Based Method for Modeling Passive Membrane Permeability and Translocation Pathways of Bioactive Molecules. J Chem Inf Model, Volume 59 (7), 2019";"PerMM web server"
3,5,7-trihydroxy-2-(4-hydroxyphenyl)chromen-4-one;MM00661;O=c1c(O)c(-c2ccc(O)cc2)oc2cc(O)cc(O)c12;IYRMWMYZSQPJKC-UHFFFAOYSA-N;286.24;2.28;5280863;DB01852;KMP;CHEMBL150;LEC;CPMM;25;0;"<a href=https://permm.phar.umich.edu/  target=_blank>PerMM web server</a>";;;;;;;;;-7.11;;;;;;;;;;;;"Lomize AL, Pogozheva ID.: Physics-Based Method for Modeling Passive Membrane Permeability and Translocation Pathways of Bioactive Molecules. J Chem Inf Model, Volume 59 (7), 2019";"PerMM web server"
"Kynurenic Acid";MM00663;O=C(O)c1cc(=O)c2ccccc2[nH]1;HCZHHEIFKROPDY-UHFFFAOYSA-N;189.17;1.23;3845;DB11937;KYA;CHEMBL299155;LEC;CPMM;25;0;"<a href=https://permm.phar.umich.edu/  target=_blank>PerMM web server</a>";;;;;;;;;-4.15;;;;;;;;;;;;"Lomize AL, Pogozheva ID.: Physics-Based Method for Modeling Passive Membrane Permeability and Translocation Pathways of Bioactive Molecules. J Chem Inf Model, Volume 59 (7), 2019";"PerMM web server"
4-amino-1-[(2R,5S)-2-(hydroxymethyl)-1,3-oxathiolan-5-yl]pyrimidin-2-one;MM00382;Nc1ccn(C2CSC(CO)O2)c(=O)n1;JTEGQNOMFQHVDC-UHFFFAOYSA-N;229.26;-0.59;60825;DB00709;3TC;CHEMBL141;LEC;CPMM;25;0;"<a href=https://permm.phar.umich.edu/  target=_blank>PerMM web server</a>";;;;;;;;;-8.27;;;;;;;;;;;;"Lomize AL, Pogozheva ID.: Physics-Based Method for Modeling Passive Membrane Permeability and Translocation Pathways of Bioactive Molecules. J Chem Inf Model, Volume 59 (7), 2019";"PerMM web server"
L-Arginine;MM00744;NC(N)=NCCC[C@H](N)C(=O)O;ODKSFYDXXFIFQN-BYPYZUCNSA-N;174.2;-1.55;6322;DB00125;ARG;CHEMBL1485;LEC;CPMM;25;0;"<a href=https://permm.phar.umich.edu/  target=_blank>PerMM web server</a>";;;;;;;;;-8.11;;;;;;;;;;;;"Lomize AL, Pogozheva ID.: Physics-Based Method for Modeling Passive Membrane Permeability and Translocation Pathways of Bioactive Molecules. J Chem Inf Model, Volume 59 (7), 2019";"PerMM web server"
"L-Aspartic Acid";MM00745;N[C@@H](CC(=O)O)C(=O)O;CKLJMWTZIZZHCS-REOHCLBHSA-N;133.1;-1.13;5960;DB00128;IAS;CHEMBL274323;LEC;CPMM;25;0;"<a href=https://permm.phar.umich.edu/  target=_blank>PerMM web server</a>";;;;;;;;;-7.4;;;;;;;;;;;;"Lomize AL, Pogozheva ID.: Physics-Based Method for Modeling Passive Membrane Permeability and Translocation Pathways of Bioactive Molecules. J Chem Inf Model, Volume 59 (7), 2019";"PerMM web server"
Levofloxacin;MM00762;C[C@H]1COc2c(N3CCN(C)CC3)c(F)cc3c(=O)c(C(=O)O)cn1c23;GSDSWSVVBLHKDQ-JTQLQIEISA-N;361.37;1.54;149096;DB01137;LFX;CHEMBL33;LEC;CPMM;25;0;"<a href=https://permm.phar.umich.edu/  target=_blank>PerMM web server</a>";;;;;;;;;-4.66;;;;;;;;;;;;"Lomize AL, Pogozheva ID.: Physics-Based Method for Modeling Passive Membrane Permeability and Translocation Pathways of Bioactive Molecules. J Chem Inf Model, Volume 59 (7), 2019";"PerMM web server"
"L-Glutamic Acid";MM00747;NC(CCC(=O)O)C(=O)O;WHUUTDBJXJRKMK-UHFFFAOYSA-N;147.13;-0.74;33032;DB00142;GGL;CHEMBL575060;LEC;CPMM;25;0;"<a href=https://permm.phar.umich.edu/  target=_blank>PerMM web server</a>";;;;;;;;;-7.34;;;;;;;;;;;;"Lomize AL, Pogozheva ID.: Physics-Based Method for Modeling Passive Membrane Permeability and Translocation Pathways of Bioactive Molecules. J Chem Inf Model, Volume 59 (7), 2019";"PerMM web server"
L-Glutamine;MM00748;NC(=O)CC[C@H](N)C(=O)O;ZDXPYRJPNDTMRX-VKHMYHEASA-N;146.15;-1.34;5961;DB00130;GLN;CHEMBL930;LEC;CPMM;25;0;"<a href=https://permm.phar.umich.edu/  target=_blank>PerMM web server</a>";;;;;;;;;-8.51;;;;;;;;;;;;"Lomize AL, Pogozheva ID.: Physics-Based Method for Modeling Passive Membrane Permeability and Translocation Pathways of Bioactive Molecules. J Chem Inf Model, Volume 59 (7), 2019";"PerMM web server"
L-Histidine;MM00749;N[C@@H](Cc1cnc[nH]1)C(=O)O;HNDVDQJCIGZPNO-YFKPBYRVSA-N;155.16;-0.64;6274;DB00117;HIS;CHEMBL17962;LEC;CPMM;25;0;"<a href=https://permm.phar.umich.edu/  target=_blank>PerMM web server</a>";;;;;;;;;-6.5;;;;;;;;;;;;"Lomize AL, Pogozheva ID.: Physics-Based Method for Modeling Passive Membrane Permeability and Translocation Pathways of Bioactive Molecules. J Chem Inf Model, Volume 59 (7), 2019";"PerMM web server"
Lidocaine;MM00092;CCN(CC)CC(=O)Nc1c(C)cccc1C;NNJVILVZKWQKPM-UHFFFAOYSA-N;234.34;2.58;3676;DB00281;LQZ;CHEMBL79;LEC;CPMM;25;0;"<a href=https://permm.phar.umich.edu/  target=_blank>PerMM web server</a>";;;;;;;;;1.54;;;;;;;;;;;;"Lomize AL, Pogozheva ID.: Physics-Based Method for Modeling Passive Membrane Permeability and Translocation Pathways of Bioactive Molecules. J Chem Inf Model, Volume 59 (7), 2019";"PerMM web server"
L-Isoleucine;MM00750;CC[C@H](C)[C@H](N)C(=O)O;AGPKZVBTJJNPAG-WHFBIAKZSA-N;131.18;0.44;6306;DB00167;ILE;CHEMBL1233584;LEC;CPMM;25;0;"<a href=https://permm.phar.umich.edu/  target=_blank>PerMM web server</a>";;;;;;;;;-2.62;;;;;;;;;;;;"Lomize AL, Pogozheva ID.: Physics-Based Method for Modeling Passive Membrane Permeability and Translocation Pathways of Bioactive Molecules. J Chem Inf Model, Volume 59 (7), 2019";"PerMM web server"
L-Kynurenine;MM00751;Nc1ccccc1C(=O)C[C@H](N)C(=O)O;YGPSJZOEDVAXAB-QMMMGPOBSA-N;208.22;0.25;161166;DB02070;KYN;CHEMBL498416;LEC;CPMM;25;0;"<a href=https://permm.phar.umich.edu/  target=_blank>PerMM web server</a>";;;;;;;;;-5.33;;;;;;;;;;;;"Lomize AL, Pogozheva ID.: Physics-Based Method for Modeling Passive Membrane Permeability and Translocation Pathways of Bioactive Molecules. J Chem Inf Model, Volume 59 (7), 2019";"PerMM web server"
L-Lysine;MM00753;NCCCC[C@H](N)C(=O)O;KDXKERNSBIXSRK-YFKPBYRVSA-N;146.19;-0.47;5962;DB00123;LYS;CHEMBL8085;LEC;CPMM;25;0;"<a href=https://permm.phar.umich.edu/  target=_blank>PerMM web server</a>";;;;;;;;;-5.56;;;;;;;;;;;;"Lomize AL, Pogozheva ID.: Physics-Based Method for Modeling Passive Membrane Permeability and Translocation Pathways of Bioactive Molecules. J Chem Inf Model, Volume 59 (7), 2019";"PerMM web server"
L-Methionine;MM00754;CSCC[C@H](N)C(=O)O;FFEARJCKVFRZRR-BYPYZUCNSA-N;149.22;0.15;6137;DB00134;MET;CHEMBL42336;LEC;CPMM;25;0;"<a href=https://permm.phar.umich.edu/  target=_blank>PerMM web server</a>";;;;;;;;;-3.67;;;;;;;;;;;;"Lomize AL, Pogozheva ID.: Physics-Based Method for Modeling Passive Membrane Permeability and Translocation Pathways of Bioactive Molecules. J Chem Inf Model, Volume 59 (7), 2019";"PerMM web server"
Lomefloxacin;MM00764;CCn1cc(C(=O)O)c(=O)c2cc(F)c(N3CCNC(C)C3)c(F)c21;ZEKZLJVOYLTDKK-UHFFFAOYSA-N;351.35;1.8;3948;DB00978;;CHEMBL561;LEC;CPMM;25;0;"<a href=https://permm.phar.umich.edu/  target=_blank>PerMM web server</a>";;;;;;;;;-4.48;;;;;;;;;;;;"Lomize AL, Pogozheva ID.: Physics-Based Method for Modeling Passive Membrane Permeability and Translocation Pathways of Bioactive Molecules. J Chem Inf Model, Volume 59 (7), 2019";"PerMM web server"
L-Ornithine;MM00755;NCCC[C@H](N)C(=O)O;AHLPHDHHMVZTML-BYPYZUCNSA-N;132.16;-0.86;6262;DB00129;ORN;CHEMBL446143;LEC;CPMM;25;0;"<a href=https://permm.phar.umich.edu/  target=_blank>PerMM web server</a>";;;;;;;;;-6.46;;;;;;;;;;;;"Lomize AL, Pogozheva ID.: Physics-Based Method for Modeling Passive Membrane Permeability and Translocation Pathways of Bioactive Molecules. J Chem Inf Model, Volume 59 (7), 2019";"PerMM web server"
Losartan;MM00665;CCCCc1nc(Cl)c(CO)n1Cc1ccc(-c2ccccc2-c2nn[nH]n2)cc1;PSIFNNKUMBGKDQ-UHFFFAOYSA-N;422.92;4.27;3961;DB00678;LSN;CHEMBL191;LEC;CPMM;25;0;"<a href=https://permm.phar.umich.edu/  target=_blank>PerMM web server</a>";;;;;;;;;1.74;;;;;;;;;;;;"Lomize AL, Pogozheva ID.: Physics-Based Method for Modeling Passive Membrane Permeability and Translocation Pathways of Bioactive Molecules. J Chem Inf Model, Volume 59 (7), 2019";"PerMM web server"
L-Threonine;MM00758;C[C@@H](O)[C@H](N)C(=O)O;AYFVYJQAPQTCCC-GBXIJSLDSA-N;119.12;-1.22;6288;DB00156;THR;CHEMBL291747;LEC;CPMM;25;0;"<a href=https://permm.phar.umich.edu/  target=_blank>PerMM web server</a>";;;;;;;;;-6.08;;;;;;;;;;;;"Lomize AL, Pogozheva ID.: Physics-Based Method for Modeling Passive Membrane Permeability and Translocation Pathways of Bioactive Molecules. J Chem Inf Model, Volume 59 (7), 2019";"PerMM web server"
L-Tryptophan;MM00759;N[C@@H](Cc1c[nH]c2ccccc12)C(=O)O;QIVBCDIJIAJPQS-VIFPVBQESA-N;204.23;1.12;6305;DB00150;TRP;CHEMBL54976;LEC;CPMM;25;0;"<a href=https://permm.phar.umich.edu/  target=_blank>PerMM web server</a>";;;;;;;;;-3.72;;;;;;;;;;;;"Lomize AL, Pogozheva ID.: Physics-Based Method for Modeling Passive Membrane Permeability and Translocation Pathways of Bioactive Molecules. J Chem Inf Model, Volume 59 (7), 2019";"PerMM web server"
L-Tyrosine;MM00760;N[C@@H](Cc1ccc(O)cc1)C(=O)O;OUYCCCASQSFEME-QMMMGPOBSA-N;181.19;0.35;6057;DB00135;TYR;CHEMBL925;LEC;CPMM;25;0;"<a href=https://permm.phar.umich.edu/  target=_blank>PerMM web server</a>";;;;;;;;;-4.87;;;;;;;;;;;;"Lomize AL, Pogozheva ID.: Physics-Based Method for Modeling Passive Membrane Permeability and Translocation Pathways of Bioactive Molecules. J Chem Inf Model, Volume 59 (7), 2019";"PerMM web server"
L-Valine;MM00761;CC(C)[C@H](N)C(=O)O;KZSNJWFQEVHDMF-BYPYZUCNSA-N;117.15;0.05;6287;DB00161;VAL;CHEMBL43068;LEC;CPMM;25;0;"<a href=https://permm.phar.umich.edu/  target=_blank>PerMM web server</a>";;;;;;;;;-2.91;;;;;;;;;;;;"Lomize AL, Pogozheva ID.: Physics-Based Method for Modeling Passive Membrane Permeability and Translocation Pathways of Bioactive Molecules. J Chem Inf Model, Volume 59 (7), 2019";"PerMM web server"
"Mefenamic Acid";MM00667;Cc1cccc(Nc2ccccc2C(=O)O)c1C;HYYBABOKPJLUIN-UHFFFAOYSA-N;241.29;3.75;4044;DB00784;ID8;CHEMBL686;LEC;CPMM;25;0;"<a href=https://permm.phar.umich.edu/  target=_blank>PerMM web server</a>";;;;;;;;;2.22;;;;;;;;;;;;"Lomize AL, Pogozheva ID.: Physics-Based Method for Modeling Passive Membrane Permeability and Translocation Pathways of Bioactive Molecules. J Chem Inf Model, Volume 59 (7), 2019";"PerMM web server"
"(2S)-2-amino-3-[4-[bis(2-chloroethyl)amino]phenyl]propanoic acid";MM00766;NC(Cc1ccc(N(CCCl)CCCl)cc1)C(=O)O;SGDBTWWWUNNDEQ-UHFFFAOYSA-N;305.21;1.93;460612;DB01042;;CHEMBL852;LEC;CPMM;25;0;"<a href=https://permm.phar.umich.edu/  target=_blank>PerMM web server</a>";;;;;;;;;-3.24;;;;;;;;;;;;"Lomize AL, Pogozheva ID.: Physics-Based Method for Modeling Passive Membrane Permeability and Translocation Pathways of Bioactive Molecules. J Chem Inf Model, Volume 59 (7), 2019";"PerMM web server"
10-[2-(1-methylpiperidin-2-yl)ethyl]-2-methylsulfinylphenothiazine;MM00513;CN1CCCCC1CCN1c2ccccc2Sc2ccc(S(C)=O)cc21;SLVMESMUVMCQIY-UHFFFAOYSA-N;386.59;4.9;4078;DB00933;;CHEMBL1088;LEC;CPMM;25;0;"<a href=https://permm.phar.umich.edu/  target=_blank>PerMM web server</a>";;;;;;;;;-0.19;;;;;;;;;;;;"Lomize AL, Pogozheva ID.: Physics-Based Method for Modeling Passive Membrane Permeability and Translocation Pathways of Bioactive Molecules. J Chem Inf Model, Volume 59 (7), 2019";"PerMM web server"
Metipranolol;MM00516;CC(=O)Oc1c(C)cc(OCC(O)CNC(C)C)c(C)c1C;BQIPXWYNLPYNHW-UHFFFAOYSA-N;309.41;2.27;31477;DB01214;;CHEMBL1291;LEC;CPMM;25;0;"<a href=https://permm.phar.umich.edu/  target=_blank>PerMM web server</a>";;;;;;;;;-0.3;;;;;;;;;;;;"Lomize AL, Pogozheva ID.: Physics-Based Method for Modeling Passive Membrane Permeability and Translocation Pathways of Bioactive Molecules. J Chem Inf Model, Volume 59 (7), 2019";"PerMM web server"
Metolazone;MM00390;Cc1ccccc1N1C(=O)c2cc(S(N)(=O)=O)c(Cl)cc2NC1C;AQCHWTWZEMGIFD-UHFFFAOYSA-N;365.84;2.71;4170;DB00524;;CHEMBL878;LEC;CPMM;25;0;"<a href=https://permm.phar.umich.edu/  target=_blank>PerMM web server</a>";;;;;;;;;-3.6;;;;;;;;;;;;"Lomize AL, Pogozheva ID.: Physics-Based Method for Modeling Passive Membrane Permeability and Translocation Pathways of Bioactive Molecules. J Chem Inf Model, Volume 59 (7), 2019";"PerMM web server"
Metronidazole;MM00391;Cc1ncc([N+](=O)[O-])n1CCO;VAOCPAMSLUNLGC-UHFFFAOYSA-N;171.16;0.09;4173;DB00916;2MN;CHEMBL137;LEC;CPMM;25;0;"<a href=https://permm.phar.umich.edu/  target=_blank>PerMM web server</a>";;;;;;;;;-3.74;;;;;;;;;;;;"Lomize AL, Pogozheva ID.: Physics-Based Method for Modeling Passive Membrane Permeability and Translocation Pathways of Bioactive Molecules. J Chem Inf Model, Volume 59 (7), 2019";"PerMM web server"
1-(2,6-dimethylphenoxy)propan-2-amine;MM00518;Cc1cccc(C)c1OCC(C)N;VLPIATFUUWWMKC-UHFFFAOYSA-N;179.26;2.03;4178;DB00379;;CHEMBL558;LEC;CPMM;25;0;"<a href=https://permm.phar.umich.edu/  target=_blank>PerMM web server</a>";;;;;;;;;1.15;;;;;;;;;;;;"Lomize AL, Pogozheva ID.: Physics-Based Method for Modeling Passive Membrane Permeability and Translocation Pathways of Bioactive Molecules. J Chem Inf Model, Volume 59 (7), 2019";"PerMM web server"
1-[2-(2,4-dichlorophenyl)-2-[(2,4-dichlorophenyl)methoxy]ethyl]imidazole;MM00088;Clc1ccc(COC(Cn2ccnc2)c2ccc(Cl)cc2Cl)c(Cl)c1;BYBLEWFAAKGYCD-UHFFFAOYSA-N;416.14;6.45;4189;DB01110;;CHEMBL91;LEC;CPMM;25;0;"<a href=https://permm.phar.umich.edu/  target=_blank>PerMM web server</a>";;;;;;;;;0.45;;;;;;;;;;;;"Lomize AL, Pogozheva ID.: Physics-Based Method for Modeling Passive Membrane Permeability and Translocation Pathways of Bioactive Molecules. J Chem Inf Model, Volume 59 (7), 2019";"PerMM web server"
Mifepristone;MM00392;CC#CC1(O)CCC2C3CCC4=CC(=O)CCC4=C3C(c3ccc(N(C)C)cc3)CC21C;VKHAHZOOUSRJNA-UHFFFAOYSA-N;429.6;5.41;55245;DB00834;486;CHEMBL1276308;LEC;CPMM;25;0;"<a href=https://permm.phar.umich.edu/  target=_blank>PerMM web server</a>";;;;;;;;;1.5;;;;;;;;;;;;"Lomize AL, Pogozheva ID.: Physics-Based Method for Modeling Passive Membrane Permeability and Translocation Pathways of Bioactive Molecules. J Chem Inf Model, Volume 59 (7), 2019";"PerMM web server"
5-methyl-2,5,19-triazatetracyclo[13.4.0.02,7.08,13]nonadeca-1(15),8,10,12,16,18-hexaene;MM00520;CN1CCN2c3ncccc3Cc3ccccc3C2C1;RONZAEMNMFQXRA-UHFFFAOYSA-N;265.36;2.48;4205;DB00370;;CHEMBL654;LEC;CPMM;25;0;"<a href=https://permm.phar.umich.edu/  target=_blank>PerMM web server</a>";;;;;;;;;1.62;;;;;;;;;;;;"Lomize AL, Pogozheva ID.: Physics-Based Method for Modeling Passive Membrane Permeability and Translocation Pathways of Bioactive Molecules. J Chem Inf Model, Volume 59 (7), 2019";"PerMM web server"
Montelukast;MM00669;CC(C)(O)c1ccccc1CCC(SCC1(CC(=O)O)CC1)c1cccc(C=Cc2ccc3ccc(Cl)cc3n2)c1;UCHDWCPVSPXUMX-UHFFFAOYSA-N;586.2;8.95;5281040;DB00471;MTK;CHEMBL787;LEC;CPMM;25;0;"<a href=https://permm.phar.umich.edu/  target=_blank>PerMM web server</a>";;;;;;;;;3.63;;;;;;;;;;;;"Lomize AL, Pogozheva ID.: Physics-Based Method for Modeling Passive Membrane Permeability and Translocation Pathways of Bioactive Molecules. J Chem Inf Model, Volume 59 (7), 2019";"PerMM web server"
Moxifloxacin;MM00767;COc1c(N2C[C@@H]3CCCN[C@@H]3C2)c(F)cc2c(=O)c(C(=O)O)cn(C3CC3)c12;FABPRXSRWADJSP-MEDUHNTESA-N;401.44;2.37;152946;DB00218;MFX;CHEMBL32;LEC;CPMM;25;0;"<a href=https://permm.phar.umich.edu/  target=_blank>PerMM web server</a>";;;;;;;;;-4.52;;;;;;;;;;;;"Lomize AL, Pogozheva ID.: Physics-Based Method for Modeling Passive Membrane Permeability and Translocation Pathways of Bioactive Molecules. J Chem Inf Model, Volume 59 (7), 2019";"PerMM web server"
"Nalidixic Acid";MM00671;CCn1cc(C(=O)O)c(=O)c2ccc(C)nc21;MHWLWQUZZRMNGJ-UHFFFAOYSA-N;232.24;1.42;4421;DB00779;NIX;CHEMBL5;LEC;CPMM;25;0;"<a href=https://permm.phar.umich.edu/  target=_blank>PerMM web server</a>";;;;;;;;;-2.75;;;;;;;;;;;;"Lomize AL, Pogozheva ID.: Physics-Based Method for Modeling Passive Membrane Permeability and Translocation Pathways of Bioactive Molecules. J Chem Inf Model, Volume 59 (7), 2019";"PerMM web server"
Butyramide;MM00059;CCCC(N)=O;DNSISZSEWVHGLH-UHFFFAOYSA-N;87.12;0.27;10927;DB02121;BMD;CHEMBL1231396;LEC;CPMM;25;0;"<a href=https://permm.phar.umich.edu/  target=_blank>PerMM web server</a>";;;;;;;;;-2.17;;;;;;;;;;;;"Lomize AL, Pogozheva ID.: Physics-Based Method for Modeling Passive Membrane Permeability and Translocation Pathways of Bioactive Molecules. J Chem Inf Model, Volume 59 (7), 2019";"PerMM web server"
Nicardipine;MM00278;COC(=O)C1=C(C)NC(C)=C(C(=O)OCCN(C)Cc2ccccc2)C1c1cccc([N+](=O)[O-])c1;ZBBHBTPTTSWHBA-UHFFFAOYSA-N;479.53;3.68;4474;DB00622;;CHEMBL1484;LEC;CPMM;25;0;"<a href=https://permm.phar.umich.edu/  target=_blank>PerMM web server</a>";;;;;;;;;-1.42;;;;;;;;;;;;"Lomize AL, Pogozheva ID.: Physics-Based Method for Modeling Passive Membrane Permeability and Translocation Pathways of Bioactive Molecules. J Chem Inf Model, Volume 59 (7), 2019";"PerMM web server"
"Dimethyl 2,6-dimethyl-4-(2-nitrophenyl)-1,4-dihydropyridine-3,5-dicarboxylate";MM00397;COC(=O)C1=C(C)NC(C)=C(C(=O)OC)C1c1ccccc1[N+](=O)[O-];HYIMSNHJOBLJNT-UHFFFAOYSA-N;346.34;2.18;4485;DB01115;;CHEMBL193;LEC;CPMM;25;0;"<a href=https://permm.phar.umich.edu/  target=_blank>PerMM web server</a>";;;;;;;;;-2.2;;;;;;;;;;;;"Lomize AL, Pogozheva ID.: Physics-Based Method for Modeling Passive Membrane Permeability and Translocation Pathways of Bioactive Molecules. J Chem Inf Model, Volume 59 (7), 2019";"PerMM web server"
Nitrendipine;MM00398;CCOC(=O)C1=C(C)NC(C)=C(C(=O)OC)C1c1cccc([N+](=O)[O-])c1;PVHUJELLJLJGLN-UHFFFAOYSA-N;360.37;2.57;4507;DB01054;;CHEMBL475534;LEC;CPMM;25;0;"<a href=https://permm.phar.umich.edu/  target=_blank>PerMM web server</a>";;;;;;;;;-1.18;;;;;;;;;;;;"Lomize AL, Pogozheva ID.: Physics-Based Method for Modeling Passive Membrane Permeability and Translocation Pathways of Bioactive Molecules. J Chem Inf Model, Volume 59 (7), 2019";"PerMM web server"
Nortriptyline;MM00280;CNCCC=C1c2ccccc2CCc2ccccc21;PHVGLTMQBUFIQQ-UHFFFAOYSA-N;263.38;3.83;4543;DB00540;21B;CHEMBL445;LEC;CPMM;25;0;"<a href=https://permm.phar.umich.edu/  target=_blank>PerMM web server</a>";;;;;;;;;3.69;;;;;;;;;;;;"Lomize AL, Pogozheva ID.: Physics-Based Method for Modeling Passive Membrane Permeability and Translocation Pathways of Bioactive Molecules. J Chem Inf Model, Volume 59 (7), 2019";"PerMM web server"
Noscapine;MM00530;COc1ccc2c(c1OC)C(=O)OC2C1c2c(cc3c(c2OC)OCO3)CCN1C;AKNNEGZIBPJZJG-UHFFFAOYSA-N;413.43;2.88;275196;DB06174;;CHEMBL364713;LEC;CPMM;25;0;"<a href=https://permm.phar.umich.edu/  target=_blank>PerMM web server</a>";;;;;;;;;-5.32;;;;;;;;;;;;"Lomize AL, Pogozheva ID.: Physics-Based Method for Modeling Passive Membrane Permeability and Translocation Pathways of Bioactive Molecules. J Chem Inf Model, Volume 59 (7), 2019";"PerMM web server"
Olanzapine;MM00089;Cc1cc2c(s1)Nc1ccccc1N=C2N1CCN(C)CC1;KVWDHTXUZHCGIO-UHFFFAOYSA-N;312.44;3.44;4585;DB00334;;CHEMBL715;LEC;CPMM;25;0;"<a href=https://permm.phar.umich.edu/  target=_blank>PerMM web server</a>";;;;;;;;;0.35;;;;;;;;;;;;"Lomize AL, Pogozheva ID.: Physics-Based Method for Modeling Passive Membrane Permeability and Translocation Pathways of Bioactive Molecules. J Chem Inf Model, Volume 59 (7), 2019";"PerMM web server"
Ondansetron;MM00531;Cc1nccn1CC1CCc2c(c3ccccc3n2C)C1=O;FELGMEQIXOGIFQ-UHFFFAOYSA-N;293.37;3.13;4595;DB00904;;CHEMBL46;LEC;CPMM;25;0;"<a href=https://permm.phar.umich.edu/  target=_blank>PerMM web server</a>";;;;;;;;;-0.03;;;;;;;;;;;;"Lomize AL, Pogozheva ID.: Physics-Based Method for Modeling Passive Membrane Permeability and Translocation Pathways of Bioactive Molecules. J Chem Inf Model, Volume 59 (7), 2019";"PerMM web server"
N,N-dimethyl-2-[(2-methylphenyl)-phenylmethoxy]ethanamine;MM00532;Cc1ccccc1C(OCCN(C)C)c1ccccc1;QVYRGXJJSLMXQH-UHFFFAOYSA-N;269.39;3.66;4601;DB01173;;CHEMBL900;LEC;CPMM;25;0;"<a href=https://permm.phar.umich.edu/  target=_blank>PerMM web server</a>";;;;;;;;;2.84;;;;;;;;;;;;"Lomize AL, Pogozheva ID.: Physics-Based Method for Modeling Passive Membrane Permeability and Translocation Pathways of Bioactive Molecules. J Chem Inf Model, Volume 59 (7), 2019";"PerMM web server"
Oxprenolol;MM00289;C=CCOc1ccccc1OCC(O)CNC(C)C;CEMAWMOMDPGJMB-UHFFFAOYSA-N;265.35;1.99;4631;DB01580;;CHEMBL546;LEC;CPMM;25;0;"<a href=https://permm.phar.umich.edu/  target=_blank>PerMM web server</a>";;;;;;;;;-0.44;;;;;;;;;;;;"Lomize AL, Pogozheva ID.: Physics-Based Method for Modeling Passive Membrane Permeability and Translocation Pathways of Bioactive Molecules. J Chem Inf Model, Volume 59 (7), 2019";"PerMM web server"
"Palmitic Acid";MM00678;CCCCCCCCCCCCCCCC(=O)O;IPCSVZSSVZVIGE-UHFFFAOYSA-N;256.43;5.55;985;DB03796;PLM;CHEMBL82293;LEC;CPMM;25;0;"<a href=https://permm.phar.umich.edu/  target=_blank>PerMM web server</a>";;;;;;;;;3.57;;;;;;;;;;;;"Lomize AL, Pogozheva ID.: Physics-Based Method for Modeling Passive Membrane Permeability and Translocation Pathways of Bioactive Molecules. J Chem Inf Model, Volume 59 (7), 2019";"PerMM web server"
1-(3,4-dimethoxybenzyl)-6,7-dimethoxyisoquinoline;MM00534;COc1ccc(Cc2nccc3cc(OC)c(OC)cc23)cc1OC;XQYZDYMELSJDRZ-UHFFFAOYSA-N;339.39;3.86;4680;DB01113;EV1;CHEMBL19224;LEC;CPMM;25;0;"<a href=https://permm.phar.umich.edu/  target=_blank>PerMM web server</a>";;;;;;;;;-1.86;;;;;;;;;;;;"Lomize AL, Pogozheva ID.: Physics-Based Method for Modeling Passive Membrane Permeability and Translocation Pathways of Bioactive Molecules. J Chem Inf Model, Volume 59 (7), 2019";"PerMM web server"
Pefloxacin;MM00770;CCn1cc(C(=O)O)c(=O)c2cc(F)c(N3CCN(C)CC3)cc21;FHFYDNQZQSQIAI-UHFFFAOYSA-N;333.36;1.61;51081;DB00487;;CHEMBL267648;LEC;CPMM;25;0;"<a href=https://permm.phar.umich.edu/  target=_blank>PerMM web server</a>";;;;;;;;;-4.5;;;;;;;;;;;;"Lomize AL, Pogozheva ID.: Physics-Based Method for Modeling Passive Membrane Permeability and Translocation Pathways of Bioactive Molecules. J Chem Inf Model, Volume 59 (7), 2019";"PerMM web server"
(2S)-1-(tert-butylamino)-3-(2-cyclopentylphenoxy)propan-2-ol;MM00535;CC(C)(C)NC[C@H](O)COc1ccccc1C1CCCC1;KQXKVJAGOJTNJS-HNNXBMFYSA-N;291.44;3.47;37464;DB01359;;CHEMBL1290;LEC;CPMM;25;0;"<a href=https://permm.phar.umich.edu/  target=_blank>PerMM web server</a>";;;;;;;;;2.14;;;;;;;;;;;;"Lomize AL, Pogozheva ID.: Physics-Based Method for Modeling Passive Membrane Permeability and Translocation Pathways of Bioactive Molecules. J Chem Inf Model, Volume 59 (7), 2019";"PerMM web server"
Pentazocine;MM00536;CC(C)=CCN1CC[C@@]2(C)c3cc(O)ccc3C[C@@H]1[C@@H]2C;VOKSWYLNZZRQPF-GDIGMMSISA-N;285.43;3.88;441278;DB00652;;CHEMBL560;LEC;CPMM;25;0;"<a href=https://permm.phar.umich.edu/  target=_blank>PerMM web server</a>";;;;;;;;;2.36;;;;;;;;;;;;"Lomize AL, Pogozheva ID.: Physics-Based Method for Modeling Passive Membrane Permeability and Translocation Pathways of Bioactive Molecules. J Chem Inf Model, Volume 59 (7), 2019";"PerMM web server"
Pergolide;MM00538;CCCN1C[C@H](CSC)C[C@@H]2c3cccc4[nH]cc(c34)C[C@H]21;YEHCICAEULNIGD-MZMPZRCHSA-N;314.5;4.27;47811;DB01186;;CHEMBL531;LEC;CPMM;25;0;"<a href=https://permm.phar.umich.edu/  target=_blank>PerMM web server</a>";;;;;;;;;2.5;;;;;;;;;;;;"Lomize AL, Pogozheva ID.: Physics-Based Method for Modeling Passive Membrane Permeability and Translocation Pathways of Bioactive Molecules. J Chem Inf Model, Volume 59 (7), 2019";"PerMM web server"
2-[4-[3-(2-chlorophenothiazin-10-yl)propyl]piperazin-1-yl]ethanol;MM00539;OCCN1CCN(CCCN2c3ccccc3Sc3ccc(Cl)cc32)CC1;RGCVKNLCSQQDEP-UHFFFAOYSA-N;403.98;3.94;4748;DB00850;;CHEMBL567;LEC;CPMM;25;0;"<a href=https://permm.phar.umich.edu/  target=_blank>PerMM web server</a>";;;;;;;;;-1.59;;;;;;;;;;;;"Lomize AL, Pogozheva ID.: Physics-Based Method for Modeling Passive Membrane Permeability and Translocation Pathways of Bioactive Molecules. J Chem Inf Model, Volume 59 (7), 2019";"PerMM web server"
2-phenylethylhydrazine;MM00404;NNCCc1ccccc1;RMUCZJUITONUFY-UHFFFAOYSA-N;136.2;0.69;3675;DB00780;;CHEMBL1089;LEC;CPMM;25;0;"<a href=https://permm.phar.umich.edu/  target=_blank>PerMM web server</a>";;;;;;;;;2.86;;;;;;;;;;;;"Lomize AL, Pogozheva ID.: Physics-Based Method for Modeling Passive Membrane Permeability and Translocation Pathways of Bioactive Molecules. J Chem Inf Model, Volume 59 (7), 2019";"PerMM web server"
4-butyl-1,2-diphenylpyrazolidine-3,5-dione;MM00680;CCCCC1C(=O)N(c2ccccc2)N(c2ccccc2)C1=O;VYMDGNCVAMGZFE-UHFFFAOYSA-N;308.38;3.79;4781;DB00812;P1Z;CHEMBL101;LEC;CPMM;25;0;"<a href=https://permm.phar.umich.edu/  target=_blank>PerMM web server</a>";;;;;;;;;2.53;;;;;;;;;;;;"Lomize AL, Pogozheva ID.: Physics-Based Method for Modeling Passive Membrane Permeability and Translocation Pathways of Bioactive Molecules. J Chem Inf Model, Volume 59 (7), 2019";"PerMM web server"
Phloretin;MM00681;O=C(CCc1ccc(O)cc1)c1c(O)cc(O)cc1O;VGEREEWJJVICBM-UHFFFAOYSA-N;274.27;2.32;4788;DB07810;G50;CHEMBL45068;LEC;CPMM;25;0;"<a href=https://permm.phar.umich.edu/  target=_blank>PerMM web server</a>";;;;;;;;;-5.9;;;;;;;;;;;;"Lomize AL, Pogozheva ID.: Physics-Based Method for Modeling Passive Membrane Permeability and Translocation Pathways of Bioactive Molecules. J Chem Inf Model, Volume 59 (7), 2019";"PerMM web server"
(3S,4R)-3-ethyl-4-[(3-methylimidazol-4-yl)methyl]oxolan-2-one;MM00541;CC[C@@H]1C(=O)OC[C@@H]1Cc1cncn1C;QCHFTSOMWOSFHM-WPRPVWTQSA-N;208.26;1.16;5910;DB01085;9PL;CHEMBL550;LEC;CPMM;25;0;"<a href=https://permm.phar.umich.edu/  target=_blank>PerMM web server</a>";;;;;;;;;-1.53;;;;;;;;;;;;"Lomize AL, Pogozheva ID.: Physics-Based Method for Modeling Passive Membrane Permeability and Translocation Pathways of Bioactive Molecules. J Chem Inf Model, Volume 59 (7), 2019";"PerMM web server"
(6S)-6-N-propyl-4,5,6,7-tetrahydro-1,3-benzothiazole-2,6-diamine;MM00545;CCCNC1CCc2nc(N)sc2C1;FASDKYOPVNHBLU-UHFFFAOYSA-N;211.33;1.58;119570;DB00413;;CHEMBL301265;LEC;CPMM;25;0;"<a href=https://permm.phar.umich.edu/  target=_blank>PerMM web server</a>";;;;;;;;;-1.54;;;;;;;;;;;;"Lomize AL, Pogozheva ID.: Physics-Based Method for Modeling Passive Membrane Permeability and Translocation Pathways of Bioactive Molecules. J Chem Inf Model, Volume 59 (7), 2019";"PerMM web server"
Prednisone;MM00408;C[C@]12CC(=O)[C@H]3[C@@H](CCC4=CC(=O)C=C[C@@]43C)[C@@H]1CC[C@]2(O)C(=O)CO;XOFYZVNMUHMLCC-ZPOLXVRWSA-N;358.43;1.77;5865;DB00635;PDN;CHEMBL635;LEC;CPMM;25;0;"<a href=https://permm.phar.umich.edu/  target=_blank>PerMM web server</a>";;;;;;;;;-5.69;;;;;;;;;;;;"Lomize AL, Pogozheva ID.: Physics-Based Method for Modeling Passive Membrane Permeability and Translocation Pathways of Bioactive Molecules. J Chem Inf Model, Volume 59 (7), 2019";"PerMM web server"
4-N-(6-methoxyquinolin-8-yl)pentane-1,4-diamine;MM00548;COc1cc(NC(C)CCCN)c2ncccc2c1;INDBQLZJXZLFIT-UHFFFAOYSA-N;259.35;2.78;4908;DB01087;;CHEMBL506;LEC;CPMM;25;0;"<a href=https://permm.phar.umich.edu/  target=_blank>PerMM web server</a>";;;;;;;;;-1.9;;;;;;;;;;;;"Lomize AL, Pogozheva ID.: Physics-Based Method for Modeling Passive Membrane Permeability and Translocation Pathways of Bioactive Molecules. J Chem Inf Model, Volume 59 (7), 2019";"PerMM web server"
"4-(dipropylsulfamoyl)benzoic acid";MM00684;CCCN(CCC)S(=O)(=O)c1ccc(C(=O)O)cc1;DBABZHXKTCFAPX-UHFFFAOYSA-N;285.37;2.2;4911;DB01032;;CHEMBL897;LEC;CPMM;25;0;"<a href=https://permm.phar.umich.edu/  target=_blank>PerMM web server</a>";;;;;;;;;-2.09;;;;;;;;;;;;"Lomize AL, Pogozheva ID.: Physics-Based Method for Modeling Passive Membrane Permeability and Translocation Pathways of Bioactive Molecules. J Chem Inf Model, Volume 59 (7), 2019";"PerMM web server"
2,6-ditert-butyl-4-[2-(3,5-ditert-butyl-4-hydroxyphenyl)sulfanylpropan-2-ylsulfanyl]phenol;MM00410;CC(C)(Sc1cc(C(C)(C)C)c(O)c(C(C)(C)C)c1)Sc1cc(C(C)(C)C)c(O)c(C(C)(C)C)c1;FYPMFJGVHOHGLL-UHFFFAOYSA-N;516.86;9.91;4912;DB01599;;CHEMBL608;LEC;CPMM;25;0;"<a href=https://permm.phar.umich.edu/  target=_blank>PerMM web server</a>";;;;;;;;;5.56;;;;;;;;;;;;"Lomize AL, Pogozheva ID.: Physics-Based Method for Modeling Passive Membrane Permeability and Translocation Pathways of Bioactive Molecules. J Chem Inf Model, Volume 59 (7), 2019";"PerMM web server"
"2-(diethylamino)ethyl 4-aminobenzoate";MM00204;CCN(CC)CCOC(=O)c1ccc(N)cc1;MFDFERRIHVXMIY-UHFFFAOYSA-N;236.32;1.77;4914;DB00721;;CHEMBL569;LEC;CPMM;25;0;"<a href=https://permm.phar.umich.edu/  target=_blank>PerMM web server</a>";;;;;;;;;-0.75;;;;;;;;;;;;"Lomize AL, Pogozheva ID.: Physics-Based Method for Modeling Passive Membrane Permeability and Translocation Pathways of Bioactive Molecules. J Chem Inf Model, Volume 59 (7), 2019";"PerMM web server"
4-[(2-methylhydrazinyl)methyl]-N-propan-2-ylbenzamide;MM00411;CNNCc1ccc(C(=O)NC(C)C)cc1;CPTBDICYNRMXFX-UHFFFAOYSA-N;221.3;1.05;4915;DB01168;;CHEMBL1321;LEC;CPMM;25;0;"<a href=https://permm.phar.umich.edu/  target=_blank>PerMM web server</a>";;;;;;;;;-0.77;;;;;;;;;;;;"Lomize AL, Pogozheva ID.: Physics-Based Method for Modeling Passive Membrane Permeability and Translocation Pathways of Bioactive Molecules. J Chem Inf Model, Volume 59 (7), 2019";"PerMM web server"
1-cyclohexyl-1-phenyl-3-pyrrolidin-1-ylpropan-1-ol;MM00549;OC(CCN1CCCC1)(c1ccccc1)C1CCCCC1;WYDUSKDSKCASEF-UHFFFAOYSA-N;287.45;3.94;4919;DB00387;;CHEMBL86715;LEC;CPMM;25;0;"<a href=https://permm.phar.umich.edu/  target=_blank>PerMM web server</a>";;;;;;;;;2.88;;;;;;;;;;;;"Lomize AL, Pogozheva ID.: Physics-Based Method for Modeling Passive Membrane Permeability and Translocation Pathways of Bioactive Molecules. J Chem Inf Model, Volume 59 (7), 2019";"PerMM web server"
Progesterone;MM00198;CC(=O)C1CCC2C3CCC4=CC(=O)CCC4(C)C3CCC12C;RJKFOVLPORLFTN-UHFFFAOYSA-N;314.47;4.72;5994;DB00396;STR;CHEMBL103;LEC;CPMM;25;0;"<a href=https://permm.phar.umich.edu/  target=_blank>PerMM web server</a>";;;;;;;;;1.83;;;;;;;;;;;;"Lomize AL, Pogozheva ID.: Physics-Based Method for Modeling Passive Membrane Permeability and Translocation Pathways of Bioactive Molecules. J Chem Inf Model, Volume 59 (7), 2019";"PerMM web server"
Promethazine;MM00550;CC(CN1c2ccccc2Sc2ccccc21)N(C)C;PWWVAXIEGOYWEE-UHFFFAOYSA-N;284.43;4.24;4927;DB01069;;CHEMBL643;LEC;CPMM;25;0;"<a href=https://permm.phar.umich.edu/  target=_blank>PerMM web server</a>";;;;;;;;;2.13;;;;;;;;;;;;"Lomize AL, Pogozheva ID.: Physics-Based Method for Modeling Passive Membrane Permeability and Translocation Pathways of Bioactive Molecules. J Chem Inf Model, Volume 59 (7), 2019";"PerMM web server"
1-[2-[2-hydroxy-3-(propylamino)propoxy]phenyl]-3-phenylpropan-1-one;MM00551;CCCNCC(O)COc1ccccc1C(=O)CCc1ccccc1;JWHAUXFOSRPERK-UHFFFAOYSA-N;341.45;3.24;4932;DB01182;;CHEMBL631;LEC;CPMM;25;0;"<a href=https://permm.phar.umich.edu/  target=_blank>PerMM web server</a>";;;;;;;;;-0.02;;;;;;;;;;;;"Lomize AL, Pogozheva ID.: Physics-Based Method for Modeling Passive Membrane Permeability and Translocation Pathways of Bioactive Molecules. J Chem Inf Model, Volume 59 (7), 2019";"PerMM web server"
1-Propanol;MM00061;CCCO;BDERNNFJNOPAEC-UHFFFAOYSA-N;60.1;0.39;1031;DB03175;POL;CHEMBL14687;LEC;CPMM;25;0;"<a href=https://permm.phar.umich.edu/  target=_blank>PerMM web server</a>";;;;;;;;;-0.84;;;;;;;;;;;;"Lomize AL, Pogozheva ID.: Physics-Based Method for Modeling Passive Membrane Permeability and Translocation Pathways of Bioactive Molecules. J Chem Inf Model, Volume 59 (7), 2019";"PerMM web server"
1-Propylamine;MM00436;CCCN;WGYKZJWCGVVSQN-UHFFFAOYSA-N;59.11;0.36;7852;;;;LEC;CPMM;25;0;"<a href=https://permm.phar.umich.edu/  target=_blank>PerMM web server</a>";;;;;;;;;-0.58;;;;;;;;;;;;"Lomize AL, Pogozheva ID.: Physics-Based Method for Modeling Passive Membrane Permeability and Translocation Pathways of Bioactive Molecules. J Chem Inf Model, Volume 59 (7), 2019";"PerMM web server"
Protriptyline;MM00553;CNCCCC1c2ccccc2C=Cc2ccccc21;BWPIARFWQZKAIA-UHFFFAOYSA-N;263.38;4.3;4976;DB00344;;CHEMBL668;LEC;CPMM;25;0;"<a href=https://permm.phar.umich.edu/  target=_blank>PerMM web server</a>";;;;;;;;;3.68;;;;;;;;;;;;"Lomize AL, Pogozheva ID.: Physics-Based Method for Modeling Passive Membrane Permeability and Translocation Pathways of Bioactive Molecules. J Chem Inf Model, Volume 59 (7), 2019";"PerMM web server"
Pyridoxine;MM00555;Cc1ncc(CO)c(CO)c1O;LXNHXLLTXMVWPM-UHFFFAOYSA-N;169.18;0.08;1054;DB00165;UEG;CHEMBL1364;LEC;CPMM;25;0;"<a href=https://permm.phar.umich.edu/  target=_blank>PerMM web server</a>";;;;;;;;;-6.86;;;;;;;;;;;;"Lomize AL, Pogozheva ID.: Physics-Based Method for Modeling Passive Membrane Permeability and Translocation Pathways of Bioactive Molecules. J Chem Inf Model, Volume 59 (7), 2019";"PerMM web server"
5-(4-chlorophenyl)-6-ethylpyrimidine-2,4-diamine;MM00556;CCc1nc(N)nc(N)c1-c1ccc(Cl)cc1;WKSAUQYGYAYLPV-UHFFFAOYSA-N;248.72;2.52;4993;DB00205;CP6;CHEMBL36;LEC;CPMM;25;0;"<a href=https://permm.phar.umich.edu/  target=_blank>PerMM web server</a>";;;;;;;;;-3.38;;;;;;;;;;;;"Lomize AL, Pogozheva ID.: Physics-Based Method for Modeling Passive Membrane Permeability and Translocation Pathways of Bioactive Molecules. J Chem Inf Model, Volume 59 (7), 2019";"PerMM web server"
2-[2-(4-benzo[b][1,4]benzothiazepin-6-ylpiperazin-1-yl)ethoxy]ethanol;MM00557;OCCOCCN1CCN(C2=Nc3ccccc3Sc3ccccc32)CC1;URKOMYMAXPYINW-UHFFFAOYSA-N;383.52;2.86;5002;DB01224;;CHEMBL716;LEC;CPMM;25;0;"<a href=https://permm.phar.umich.edu/  target=_blank>PerMM web server</a>";;;;;;;;;-1.92;;;;;;;;;;;;"Lomize AL, Pogozheva ID.: Physics-Based Method for Modeling Passive Membrane Permeability and Translocation Pathways of Bioactive Molecules. J Chem Inf Model, Volume 59 (7), 2019";"PerMM web server"
"Quinolinic Acid";MM00686;O=C(O)c1cccnc1C(=O)O;GJAWHXHKYYXBSV-UHFFFAOYSA-N;167.12;0.48;1066;DB01796;NTM;CHEMBL286204;LEC;CPMM;25;0;"<a href=https://permm.phar.umich.edu/  target=_blank>PerMM web server</a>";;;;;;;;;-5.71;;;;;;;;;;;;"Lomize AL, Pogozheva ID.: Physics-Based Method for Modeling Passive Membrane Permeability and Translocation Pathways of Bioactive Molecules. J Chem Inf Model, Volume 59 (7), 2019";"PerMM web server"
Resveratrol;MM00418;Oc1ccc(C=Cc2cc(O)cc(O)c2)cc1;LUKBXSAWLPMMSZ-UHFFFAOYSA-N;228.25;2.97;445154;DB06273;;CHEMBL1237022;LEC;CPMM;25;0;"<a href=https://permm.phar.umich.edu/  target=_blank>PerMM web server</a>";;;;;;;;;-2.86;;;;;;;;;;;;"Lomize AL, Pogozheva ID.: Physics-Based Method for Modeling Passive Membrane Permeability and Translocation Pathways of Bioactive Molecules. J Chem Inf Model, Volume 59 (7), 2019";"PerMM web server"
1-(1-adamantyl)ethanamine;MM00560;CC(N)C12CC3CC(CC(C3)C1)C2;UBCHPRBFMUDMNC-UHFFFAOYSA-N;179.31;2.55;5071;DB00478;;CHEMBL959;LEC;CPMM;25;0;"<a href=https://permm.phar.umich.edu/  target=_blank>PerMM web server</a>";;;;;;;;;2.17;;;;;;;;;;;;"Lomize AL, Pogozheva ID.: Physics-Based Method for Modeling Passive Membrane Permeability and Translocation Pathways of Bioactive Molecules. J Chem Inf Model, Volume 59 (7), 2019";"PerMM web server"
Risperidone;MM00561;Cc1nc2n(c(=O)c1CCN1CCC(c3noc4cc(F)ccc34)CC1)CCCC2;RAPZEAPATHNIPO-UHFFFAOYSA-N;410.49;3.59;5073;DB00734;8NU;CHEMBL85;LEC;CPMM;25;0;"<a href=https://permm.phar.umich.edu/  target=_blank>PerMM web server</a>";;;;;;;;;0.84;;;;;;;;;;;;"Lomize AL, Pogozheva ID.: Physics-Based Method for Modeling Passive Membrane Permeability and Translocation Pathways of Bioactive Molecules. J Chem Inf Model, Volume 59 (7), 2019";"PerMM web server"
"Rosmarinic Acid";MM00687;O=C(/C=C/c1ccc(O)c(O)c1)O[C@H](Cc1ccc(O)c(O)c1)C(=O)O;DOUMFZQKYFQNTF-WUTVXBCWSA-N;360.32;1.76;5281792;;;;LEC;CPMM;25;0;"<a href=https://permm.phar.umich.edu/  target=_blank>PerMM web server</a>";;;;;;;;;-7.81;;;;;;;;;;;;"Lomize AL, Pogozheva ID.: Physics-Based Method for Modeling Passive Membrane Permeability and Translocation Pathways of Bioactive Molecules. J Chem Inf Model, Volume 59 (7), 2019";"PerMM web server"
"Sebacic Acid";MM00689;O=C(O)CCCCCCCCC(=O)O;CXMXRPHRNRROMY-UHFFFAOYSA-N;202.25;2.28;5192;DB07645;DEC;CHEMBL1232164;LEC;CPMM;25;0;"<a href=https://permm.phar.umich.edu/  target=_blank>PerMM web server</a>";;;;;;;;;-2.46;;;;;;;;;;;;"Lomize AL, Pogozheva ID.: Physics-Based Method for Modeling Passive Membrane Permeability and Translocation Pathways of Bioactive Molecules. J Chem Inf Model, Volume 59 (7), 2019";"PerMM web server"
L-Serine;MM00757;N[C@@H](CO)C(=O)O;MTCFGRXMJLQNBG-REOHCLBHSA-N;105.09;-1.61;5951;DB00133;SER;CHEMBL11298;LEC;CPMM;25;0;"<a href=https://permm.phar.umich.edu/  target=_blank>PerMM web server</a>";;;;;;;;;-7.29;;;;;;;;;;;;"Lomize AL, Pogozheva ID.: Physics-Based Method for Modeling Passive Membrane Permeability and Translocation Pathways of Bioactive Molecules. J Chem Inf Model, Volume 59 (7), 2019";"PerMM web server"
Sertraline;MM00566;CN[C@H]1CC[C@@H](c2ccc(Cl)c(Cl)c2)c2ccccc21;VGKDLMBJGBXTGI-SJCJKPOMSA-N;306.24;5.18;68617;DB01104;SRE;CHEMBL809;LEC;CPMM;25;0;"<a href=https://permm.phar.umich.edu/  target=_blank>PerMM web server</a>";;;;;;;;;2.76;;;;;;;;;;;;"Lomize AL, Pogozheva ID.: Physics-Based Method for Modeling Passive Membrane Permeability and Translocation Pathways of Bioactive Molecules. J Chem Inf Model, Volume 59 (7), 2019";"PerMM web server"
Sufentanil;MM00304;CCC(=O)N(c1ccccc1)C1(COC)CCN(CCc2cccs2)CC1;GGCSSNBKKAUURC-UHFFFAOYSA-N;386.56;4.21;41693;DB00708;;CHEMBL658;LEC;CPMM;25;0;"<a href=https://permm.phar.umich.edu/  target=_blank>PerMM web server</a>";;;;;;;;;2.07;;;;;;;;;;;;"Lomize AL, Pogozheva ID.: Physics-Based Method for Modeling Passive Membrane Permeability and Translocation Pathways of Bioactive Molecules. J Chem Inf Model, Volume 59 (7), 2019";"PerMM web server"
Tacrine;MM00305;Nc1c2c(nc3ccccc13)CCCC2;YLJREFDVOIBQDA-UHFFFAOYSA-N;198.27;2.7;1935;DB00382;THA;CHEMBL95;LEC;CPMM;25;0;"<a href=https://permm.phar.umich.edu/  target=_blank>PerMM web server</a>";;;;;;;;;0.72;;;;;;;;;;;;"Lomize AL, Pogozheva ID.: Physics-Based Method for Modeling Passive Membrane Permeability and Translocation Pathways of Bioactive Molecules. J Chem Inf Model, Volume 59 (7), 2019";"PerMM web server"
Tamoxifen;MM00570;CCC(=C(c1ccccc1)c1ccc(OCCN(C)C)cc1)c1ccccc1;NKANXQFJJICGDU-UHFFFAOYSA-N;371.52;6;2733526;DB00675;CTX;CHEMBL83;LEC;CPMM;25;0;"<a href=https://permm.phar.umich.edu/  target=_blank>PerMM web server</a>";;;;;;;;;4.47;;;;;;;;;;;;"Lomize AL, Pogozheva ID.: Physics-Based Method for Modeling Passive Membrane Permeability and Translocation Pathways of Bioactive Molecules. J Chem Inf Model, Volume 59 (7), 2019";"PerMM web server"
7-chloro-3-hydroxy-1-methyl-5-phenyl-3H-1,4-benzodiazepin-2-one;MM00422;CN1C(=O)C(O)N=C(c2ccccc2)c2cc(Cl)ccc21;SEQDDYPDSLOBDC-UHFFFAOYSA-N;300.75;2.47;5391;DB00231;;CHEMBL967;LEC;CPMM;25;0;"<a href=https://permm.phar.umich.edu/  target=_blank>PerMM web server</a>";;;;;;;;;-2.39;;;;;;;;;;;;"Lomize AL, Pogozheva ID.: Physics-Based Method for Modeling Passive Membrane Permeability and Translocation Pathways of Bioactive Molecules. J Chem Inf Model, Volume 59 (7), 2019";"PerMM web server"
10-[2-(1-methylpiperidin-2-yl)ethyl]-2-methylsulfanylphenothiazine;MM00572;CSc1ccc2c(c1)N(CCC1CCCCN1C)c1ccccc1S2;KLBQZWRITKRQQV-UHFFFAOYSA-N;370.59;5.89;5452;DB00679;;CHEMBL479;LEC;CPMM;25;0;"<a href=https://permm.phar.umich.edu/  target=_blank>PerMM web server</a>";;;;;;;;;2.4;;;;;;;;;;;;"Lomize AL, Pogozheva ID.: Physics-Based Method for Modeling Passive Membrane Permeability and Translocation Pathways of Bioactive Molecules. J Chem Inf Model, Volume 59 (7), 2019";"PerMM web server"
(9Z)-N,N-dimethyl-9-[3-(4-methylpiperazin-1-yl)propylidene]thioxanthene-2-sulfonamide;MM00693;CN1CCN(CC/C=C2/c3ccccc3Sc3ccc(S(=O)(=O)N(C)C)cc32)CC1;GFBKORZTTCHDGY-UWVJOHFNSA-N;443.64;3.47;941651;DB01623;;CHEMBL1201;LEC;CPMM;25;0;"<a href=https://permm.phar.umich.edu/  target=_blank>PerMM web server</a>";;;;;;;;;-2.75;;;;;;;;;;;;"Lomize AL, Pogozheva ID.: Physics-Based Method for Modeling Passive Membrane Permeability and Translocation Pathways of Bioactive Molecules. J Chem Inf Model, Volume 59 (7), 2019";"PerMM web server"
L-deoxythymidine;MM00427;Cc1cn([C@H]2C[C@H](O)[C@@H](CO)O2)c(=O)[nH]c1=O;IQFYYKKMVGJFEH-XLPZGREQSA-N;242.23;-1.51;5789;DB01265;LLT;CHEMBL374731;LEC;CPMM;25;0;"<a href=https://permm.phar.umich.edu/  target=_blank>PerMM web server</a>";;;;;;;;;-9.73;;;;;;;;;;;;"Lomize AL, Pogozheva ID.: Physics-Based Method for Modeling Passive Membrane Permeability and Translocation Pathways of Bioactive Molecules. J Chem Inf Model, Volume 59 (7), 2019";"PerMM web server"
"(3R)-1-[4,4-bis(3-methylthiophen-2-yl)but-3-enyl]piperidine-3-carboxylic acid";MM00773;Cc1ccsc1C(=CCCN1CCCC(C(=O)O)C1)c1sccc1C;PBJUNZJWGZTSKL-UHFFFAOYSA-N;375.56;5.04;60648;DB00906;;CHEMBL1027;LEC;CPMM;25;0;"<a href=https://permm.phar.umich.edu/  target=_blank>PerMM web server</a>";;;;;;;;;0.71;;;;;;;;;;;;"Lomize AL, Pogozheva ID.: Physics-Based Method for Modeling Passive Membrane Permeability and Translocation Pathways of Bioactive Molecules. J Chem Inf Model, Volume 59 (7), 2019";"PerMM web server"
1-[4-(3-methylanilino)pyridin-3-yl]sulfonyl-3-propan-2-ylurea;MM00709;Cc1cccc(Nc2ccncc2S(=O)(=O)NC(=O)NC(C)C)c1;NGBFQHCMQULJNZ-UHFFFAOYSA-N;348.43;2.53;41781;DB00214;;CHEMBL1148;LEC;CPMM;25;0;"<a href=https://permm.phar.umich.edu/  target=_blank>PerMM web server</a>";;;;;;;;;-5.26;;;;;;;;;;;;"Lomize AL, Pogozheva ID.: Physics-Based Method for Modeling Passive Membrane Permeability and Translocation Pathways of Bioactive Molecules. J Chem Inf Model, Volume 59 (7), 2019";"PerMM web server"
2-[3-[4-(3-chlorophenyl)piperazin-1-yl]propyl]-[1,2,4]triazolo[4,3-a]pyridin-3-one;MM00576;O=c1n(CCCN2CCN(c3cccc(Cl)c3)CC2)nc2ccccn12;PHLBKPHSAVXXEF-UHFFFAOYSA-N;371.87;2.36;5533;DB00656;;CHEMBL621;LEC;CPMM;25;0;"<a href=https://permm.phar.umich.edu/  target=_blank>PerMM web server</a>";;;;;;;;;-0.97;;;;;;;;;;;;"Lomize AL, Pogozheva ID.: Physics-Based Method for Modeling Passive Membrane Permeability and Translocation Pathways of Bioactive Molecules. J Chem Inf Model, Volume 59 (7), 2019";"PerMM web server"
Triamcinolone;MM00307;CC12C=CC(=O)C=C1CCC1C3CC(O)C(O)(C(=O)CO)C3(C)CC(O)C12F;GFNANZIMVAIWHM-OBYCQNJPSA-N;394.44;0.62;31307;DB00620;;CHEMBL1451;LEC;CPMM;25;0;"<a href=https://permm.phar.umich.edu/  target=_blank>PerMM web server</a>";;;;;;;;;-7.94;;;;;;;;;;;;"Lomize AL, Pogozheva ID.: Physics-Based Method for Modeling Passive Membrane Permeability and Translocation Pathways of Bioactive Molecules. J Chem Inf Model, Volume 59 (7), 2019";"PerMM web server"
6-phenylpteridine-2,4,7-triamine;MM00577;Nc1nc(N)c2nc(-c3ccccc3)c(N)nc2n1;FNYLWPVRPXGIIP-UHFFFAOYSA-N;253.27;0.83;5546;DB00384;DX2;CHEMBL585;LEC;CPMM;25;0;"<a href=https://permm.phar.umich.edu/  target=_blank>PerMM web server</a>";;;;;;;;;-8.51;;;;;;;;;;;;"Lomize AL, Pogozheva ID.: Physics-Based Method for Modeling Passive Membrane Permeability and Translocation Pathways of Bioactive Molecules. J Chem Inf Model, Volume 59 (7), 2019";"PerMM web server"
10-[3-(4-methylpiperazin-1-yl)propyl]-2-(trifluoromethyl)phenothiazine;MM00578;CN1CCN(CCCN2c3ccccc3Sc3ccc(C(F)(F)F)cc32)CC1;ZEWQUBUPAILYHI-UHFFFAOYSA-N;407.51;4.95;5566;DB00831;TFP;CHEMBL422;LEC;CPMM;25;0;"<a href=https://permm.phar.umich.edu/  target=_blank>PerMM web server</a>";;;;;;;;;0.22;;;;;;;;;;;;"Lomize AL, Pogozheva ID.: Physics-Based Method for Modeling Passive Membrane Permeability and Translocation Pathways of Bioactive Molecules. J Chem Inf Model, Volume 59 (7), 2019";"PerMM web server"
N,N-dimethyl-3-[2-(trifluoromethyl)phenothiazin-10-yl]propan-1-amine;MM00579;CN(C)CCCN1c2ccccc2Sc2ccc(C(F)(F)F)cc21;XSCGXQMFQXDFCW-UHFFFAOYSA-N;352.43;5.26;5568;DB00508;;CHEMBL570;LEC;CPMM;25;0;"<a href=https://permm.phar.umich.edu/  target=_blank>PerMM web server</a>";;;;;;;;;1.01;;;;;;;;;;;;"Lomize AL, Pogozheva ID.: Physics-Based Method for Modeling Passive Membrane Permeability and Translocation Pathways of Bioactive Molecules. J Chem Inf Model, Volume 59 (7), 2019";"PerMM web server"
1-cyclohexyl-1-phenyl-3-piperidin-1-ylpropan-1-ol;MM00580;OC(CCN1CCCCC1)(c1ccccc1)C1CCCCC1;HWHLPVGTWGOCJO-UHFFFAOYSA-N;301.47;4.33;5572;DB00376;;CHEMBL1490;LEC;CPMM;25;0;"<a href=https://permm.phar.umich.edu/  target=_blank>PerMM web server</a>";;;;;;;;;3.22;;;;;;;;;;;;"Lomize AL, Pogozheva ID.: Physics-Based Method for Modeling Passive Membrane Permeability and Translocation Pathways of Bioactive Molecules. J Chem Inf Model, Volume 59 (7), 2019";"PerMM web server"
Trimipramine;MM00254;CC(CN(C)C)CN1c2ccccc2CCc2ccccc21;ZSCDBOWYZJWBIY-UHFFFAOYSA-N;294.44;4.12;5584;DB00726;;CHEMBL644;LEC;CPMM;25;0;"<a href=https://permm.phar.umich.edu/  target=_blank>PerMM web server</a>";;;;;;;;;3.18;;;;;;;;;;;;"Lomize AL, Pogozheva ID.: Physics-Based Method for Modeling Passive Membrane Permeability and Translocation Pathways of Bioactive Molecules. J Chem Inf Model, Volume 59 (7), 2019";"PerMM web server"
2,5,9-trimethylfuro[3,2-g]chromen-7-one;MM00429;Cc1cc2cc3c(C)cc(=O)oc3c(C)c2o1;FMHHVULEAZTJMA-UHFFFAOYSA-N;228.25;3.46;5585;DB04571;;CHEMBL1475;LEC;CPMM;25;0;"<a href=https://permm.phar.umich.edu/  target=_blank>PerMM web server</a>";;;;;;;;;2.06;;;;;;;;;;;;"Lomize AL, Pogozheva ID.: Physics-Based Method for Modeling Passive Membrane Permeability and Translocation Pathways of Bioactive Molecules. J Chem Inf Model, Volume 59 (7), 2019";"PerMM web server"
Trovafloxacin;MM00774;NC1[C@@H]2CN(c3nc4c(cc3F)c(=O)c(C(=O)O)cn4-c3ccc(F)cc3F)C[C@H]12;WVPSKSLAZQPAKQ-SOSAQKQKSA-N;416.36;1.89;62959;DB00685;TR6;CHEMBL428;LEC;CPMM;25;0;"<a href=https://permm.phar.umich.edu/  target=_blank>PerMM web server</a>";;;;;;;;;-4.53;;;;;;;;;;;;"Lomize AL, Pogozheva ID.: Physics-Based Method for Modeling Passive Membrane Permeability and Translocation Pathways of Bioactive Molecules. J Chem Inf Model, Volume 59 (7), 2019";"PerMM web server"
Tryptamine;MM00582;NCCc1c[nH]c2ccccc12;APJYDQYYACXCRM-UHFFFAOYSA-N;160.22;1.67;1150;DB08653;TSS;CHEMBL6640;LEC;CPMM;25;0;"<a href=https://permm.phar.umich.edu/  target=_blank>PerMM web server</a>";;;;;;;;;-0.95;;;;;;;;;;;;"Lomize AL, Pogozheva ID.: Physics-Based Method for Modeling Passive Membrane Permeability and Translocation Pathways of Bioactive Molecules. J Chem Inf Model, Volume 59 (7), 2019";"PerMM web server"
4-(5-methyl-3-phenylisoxazol-4-yl)benzenesulfonamide;MM00430;Cc1onc(-c2ccccc2)c1-c1ccc(S(N)(=O)=O)cc1;LNPDTQAFDNKSHK-UHFFFAOYSA-N;314.37;2.96;119607;DB00580;COX;CHEMBL865;LEC;CPMM;25;0;"<a href=https://permm.phar.umich.edu/  target=_blank>PerMM web server</a>";;;;;;;;;-0.73;;;;;;;;;;;;"Lomize AL, Pogozheva ID.: Physics-Based Method for Modeling Passive Membrane Permeability and Translocation Pathways of Bioactive Molecules. J Chem Inf Model, Volume 59 (7), 2019";"PerMM web server"
Zaleplon;MM00434;CCN(C(C)=O)c1cccc(-c2ccnc3c(C#N)cnn23)c1;HUNXMJYCHXQEGX-UHFFFAOYSA-N;305.34;2.64;5719;DB00962;;CHEMBL1521;LEC;CPMM;25;0;"<a href=https://permm.phar.umich.edu/  target=_blank>PerMM web server</a>";;;;;;;;;-2.13;;;;;;;;;;;;"Lomize AL, Pogozheva ID.: Physics-Based Method for Modeling Passive Membrane Permeability and Translocation Pathways of Bioactive Molecules. J Chem Inf Model, Volume 59 (7), 2019";"PerMM web server"
N,N-dimethyl-2-[6-methyl-2-(4-methylphenyl)imidazo[1,2-a]pyridin-3-yl]acetamide;MM00591;Cc1ccc(-c2nc3ccc(C)cn3c2CC(=O)N(C)C)cc1;ZAFYATHCZYHLPB-UHFFFAOYSA-N;307.4;3.25;5732;DB00425;;CHEMBL911;LEC;CPMM;25;0;"<a href=https://permm.phar.umich.edu/  target=_blank>PerMM web server</a>";;;;;;;;;0.66;;;;;;;;;;;;"Lomize AL, Pogozheva ID.: Physics-Based Method for Modeling Passive Membrane Permeability and Translocation Pathways of Bioactive Molecules. J Chem Inf Model, Volume 59 (7), 2019";"PerMM web server"
1,4-Butanediol;MM00314;OCCCCO;WERYXYBDKMZEQL-UHFFFAOYSA-N;90.12;-0.25;8064;DB01955;BU1;CHEMBL171623;LEC;CPMM;25;0;"<a href=https://permm.phar.umich.edu/  target=_blank>PerMM web server</a>";;;;;;;;;-4.03;;;;;;;;;;;;"Lomize AL, Pogozheva ID.: Physics-Based Method for Modeling Passive Membrane Permeability and Translocation Pathways of Bioactive Molecules. J Chem Inf Model, Volume 59 (7), 2019";"PerMM web server"
2,3-Dideoxyadenosine;MM00318;Nc1ncnc2c1ncn2[C@H]1CC[C@@H](CO)O1;WVXRAFOPTSTNLL-NKWVEPMBSA-N;235.25;0.08;20039;;;;LEC;CPMM;25;0;"<a href=https://permm.phar.umich.edu/  target=_blank>PerMM web server</a>";;;;;;;;;-6.26;;;;;;;;;;;;"Lomize AL, Pogozheva ID.: Physics-Based Method for Modeling Passive Membrane Permeability and Translocation Pathways of Bioactive Molecules. J Chem Inf Model, Volume 59 (7), 2019";"PerMM web server"
"9-Anthroic Acid";MM00612;O=C(O)c1c2ccccc2cc2ccccc12;XGWFJBFNAQHLEF-UHFFFAOYSA-N;222.24;3.69;2201;;;;LEC;CPMM;25;0;"<a href=https://permm.phar.umich.edu/  target=_blank>PerMM web server</a>";;;;;;;;;1.52;;;;;;;;;;;;"Lomize AL, Pogozheva ID.: Physics-Based Method for Modeling Passive Membrane Permeability and Translocation Pathways of Bioactive Molecules. J Chem Inf Model, Volume 59 (7), 2019";"PerMM web server"
Acrivastine;MM00715;Cc1ccc(C(=CCN2CCCC2)c2cccc(C=CC(=O)O)n2)cc1;PWACSDKDOHSSQD-IUTFFREVSA-N;348.45;4.02;5284514;DB09488;;CHEMBL1224;LEC;CPMM;25;0;"<a href=https://permm.phar.umich.edu/  target=_blank>PerMM web server</a>";;;;;;;;;0.6;;;;;;;;;;;;"Lomize AL, Pogozheva ID.: Physics-Based Method for Modeling Passive Membrane Permeability and Translocation Pathways of Bioactive Molecules. J Chem Inf Model, Volume 59 (7), 2019";"PerMM web server"
"5-Aminolevulinic Acid";MM00714;NCC(=O)CCC(=O)O;ZGXJTSGNIOSYLO-UHFFFAOYSA-N;131.13;-0.62;137;DB00855;;CHEMBL601;LEC;CPMM;25;0;"<a href=https://permm.phar.umich.edu/  target=_blank>PerMM web server</a>";;;;;;;;;-4.83;;;;;;;;;;;;"Lomize AL, Pogozheva ID.: Physics-Based Method for Modeling Passive Membrane Permeability and Translocation Pathways of Bioactive Molecules. J Chem Inf Model, Volume 59 (7), 2019";"PerMM web server"
"1-Naphthoic Acid";MM00592;O=C(O)c1cccc2ccccc12;LNETULKMXZVUST-UHFFFAOYSA-N;172.18;2.54;6847;;;;LEC;CPMM;25;0;"<a href=https://permm.phar.umich.edu/  target=_blank>PerMM web server</a>";;;;;;;;;0.37;;;;;;;;;;;;"Lomize AL, Pogozheva ID.: Physics-Based Method for Modeling Passive Membrane Permeability and Translocation Pathways of Bioactive Molecules. J Chem Inf Model, Volume 59 (7), 2019";"PerMM web server"
2-amino-3-hydroxy-N'-[(2,3,4-trihydroxyphenyl)methyl]propanehydrazide;MM00337;NC(CO)C(=O)NNCc1ccc(O)c(O)c1O;BNQDCRGUHNALGH-UHFFFAOYSA-N;257.25;-1.76;2327;DB12783;;CHEMBL1096979;LEC;CPMM;25;0;"<a href=https://permm.phar.umich.edu/  target=_blank>PerMM web server</a>";;;;;;;;;-10.39;;;;;;;;;;;;"Lomize AL, Pogozheva ID.: Physics-Based Method for Modeling Passive Membrane Permeability and Translocation Pathways of Bioactive Molecules. J Chem Inf Model, Volume 59 (7), 2019";"PerMM web server"
"2-Naphthoic Acid";MM00601;O=C(O)c1ccc2ccccc2c1;UOBYKYZJUGYBDK-UHFFFAOYSA-N;172.18;2.54;7123;;;114648;LEC;CPMM;25;0;"<a href=https://permm.phar.umich.edu/  target=_blank>PerMM web server</a>";;;;;;;;;0.4;;;;;;;;;;;;"Lomize AL, Pogozheva ID.: Physics-Based Method for Modeling Passive Membrane Permeability and Translocation Pathways of Bioactive Molecules. J Chem Inf Model, Volume 59 (7), 2019";"PerMM web server"
"Bromoacetic Acid";MM00633;O=C(O)CBr;KDPAWGWELVVRCH-UHFFFAOYSA-N;138.95;0.47;6227;DB02198;BXA;CHEMBL60851;LEC;CPMM;25;0;"<a href=https://permm.phar.umich.edu/  target=_blank>PerMM web server</a>";;;;;;;;;-1.3;;;;;;;;;;;;"Lomize AL, Pogozheva ID.: Physics-Based Method for Modeling Passive Membrane Permeability and Translocation Pathways of Bioactive Molecules. J Chem Inf Model, Volume 59 (7), 2019";"PerMM web server"
Cefatrizine;MM00719;NC(C(=O)NC1C(=O)N2C(C(=O)O)=C(CSc3cn[nH]n3)CSC12)c1ccc(O)cc1;UOCJDOLVGGIYIQ-PBFPGSCMSA-N;462.51;0.04;6410758;;;CHEMBL1095284;LEC;CPMM;25;0;"<a href=https://permm.phar.umich.edu/  target=_blank>PerMM web server</a>";;;;;;;;;-9.52;;;;;;;;;;;;"Lomize AL, Pogozheva ID.: Physics-Based Method for Modeling Passive Membrane Permeability and Translocation Pathways of Bioactive Molecules. J Chem Inf Model, Volume 59 (7), 2019";"PerMM web server"
Cephaloglycin;MM00722;CC(=O)OCC1=C(C(=O)O)N2C(=O)[C@@H](NC(=O)[C@H](N)c3ccccc3)[C@H]2SC1;FUBBGQLTSCSAON-PBFPGSCMSA-N;405.43;-0.01;19150;DB00689;;CHEMBL1200971;LEC;CPMM;25;0;"<a href=https://permm.phar.umich.edu/  target=_blank>PerMM web server</a>";;;;;;;;;-8.23;;;;;;;;;;;;"Lomize AL, Pogozheva ID.: Physics-Based Method for Modeling Passive Membrane Permeability and Translocation Pathways of Bioactive Molecules. J Chem Inf Model, Volume 59 (7), 2019";"PerMM web server"
Cephaloridine;MM00638;O=C(Cc1cccs1)NC1C(=O)N2C(C(=O)O)=C(C[n+]3ccccc3)CSC12;CZTQZXZIADLWOZ-UHFFFAOYSA-O;416.5;1.02;5773;DB09008;;CHEMBL316157;LEC;CPMM;25;0;"<a href=https://permm.phar.umich.edu/  target=_blank>PerMM web server</a>";;;;;;;;;-5.41;;;;;;;;;;;;"Lomize AL, Pogozheva ID.: Physics-Based Method for Modeling Passive Membrane Permeability and Translocation Pathways of Bioactive Molecules. J Chem Inf Model, Volume 59 (7), 2019";"PerMM web server"
Daunorubicin;MM00473;COc1cccc2c1C(=O)c1c(O)c3c(c(O)c1C2=O)CC(O)(C(C)=O)CC3OC1CC(N)C(O)C(C)O1;STQGQHZAVUOBTE-UHFFFAOYSA-N;527.53;1.03;30323;DB00694;DM1;CHEMBL178;LEC;CPMM;25;0;"<a href=https://permm.phar.umich.edu/  target=_blank>PerMM web server</a>";;;;;;;;;-11.03;;;;;;;;;;;;"Lomize AL, Pogozheva ID.: Physics-Based Method for Modeling Passive Membrane Permeability and Translocation Pathways of Bioactive Molecules. J Chem Inf Model, Volume 59 (7), 2019";"PerMM web server"
"Ethylene glycol";MM00360;OCCO;LYCAIKOWRPUZTN-UHFFFAOYSA-N;62.07;-1.03;174;;;;LEC;CPMM;25;0;"<a href=https://permm.phar.umich.edu/  target=_blank>PerMM web server</a>";;;;;;;;;-4.77;;;;;;;;;;;;"Lomize AL, Pogozheva ID.: Physics-Based Method for Modeling Passive Membrane Permeability and Translocation Pathways of Bioactive Molecules. J Chem Inf Model, Volume 59 (7), 2019";"PerMM web server"
"Iodoacetic Acid";MM00657;O=C(O)CI;JDNTWHVOXJZDSN-UHFFFAOYSA-N;185.95;0.51;5240;;;;LEC;CPMM;25;0;"<a href=https://permm.phar.umich.edu/  target=_blank>PerMM web server</a>";;;;;;;;;-2.2;;;;;;;;;;;;"Lomize AL, Pogozheva ID.: Physics-Based Method for Modeling Passive Membrane Permeability and Translocation Pathways of Bioactive Molecules. J Chem Inf Model, Volume 59 (7), 2019";"PerMM web server"
Isoxicam;MM00660;Cc1cc(NC(=O)C2=C(O)c3ccccc3S(=O)(=O)N2C)no1;YYUAYBYLJSNDCX-UHFFFAOYSA-N;335.34;1.48;54677972;DB08942;ICD;CHEMBL53292;LEC;CPMM;25;0;"<a href=https://permm.phar.umich.edu/  target=_blank>PerMM web server</a>";;;;;;;;;-4.33;;;;;;;;;;;;"Lomize AL, Pogozheva ID.: Physics-Based Method for Modeling Passive Membrane Permeability and Translocation Pathways of Bioactive Molecules. J Chem Inf Model, Volume 59 (7), 2019";"PerMM web server"
"4-Methylphenylacetic Acid";MM00611;Cc1ccc(CC(=O)O)cc1;GXXXUZIRGXYDFP-UHFFFAOYSA-N;150.18;1.62;248474;;;;LEC;CPMM;25;0;"<a href=https://permm.phar.umich.edu/  target=_blank>PerMM web server</a>";;;;;;;;;0.28;;;;;;;;;;;;"Lomize AL, Pogozheva ID.: Physics-Based Method for Modeling Passive Membrane Permeability and Translocation Pathways of Bioactive Molecules. J Chem Inf Model, Volume 59 (7), 2019";"PerMM web server"
Netivudine;MM00395;CC#Cc1cn(C2OC(CO)C(O)C2O)c(=O)[nH]c1=O;QLOCVMVCRJOTTM-SDNRWEOFSA-N;282.25;-2.48;55281;DB12606;;CHEMBL1097615;LEC;CPMM;25;0;"<a href=https://permm.phar.umich.edu/  target=_blank>PerMM web server</a>";;;;;;;;;-11.69;;;;;;;;;;;;"Lomize AL, Pogozheva ID.: Physics-Based Method for Modeling Passive Membrane Permeability and Translocation Pathways of Bioactive Molecules. J Chem Inf Model, Volume 59 (7), 2019";"PerMM web server"
"Nitric Acid";MM00675;O=[N+]([O-])O;GRYLNZFGIOXLOG-UHFFFAOYSA-N;63.01;-0.35;944;;;;LEC;CPMM;25;0;"<a href=https://permm.phar.umich.edu/  target=_blank>PerMM web server</a>";;;;;;;;;1.47;;;;;;;;;;;;"Lomize AL, Pogozheva ID.: Physics-Based Method for Modeling Passive Membrane Permeability and Translocation Pathways of Bioactive Molecules. J Chem Inf Model, Volume 59 (7), 2019";"PerMM web server"
"Nitric Acid";MM00675;O=[N+]([O-])O;GRYLNZFGIOXLOG-UHFFFAOYSA-N;63.01;-0.35;944;;;;LEC;CPMM;25;-1;"<a href=https://permm.phar.umich.edu/  target=_blank>PerMM web server</a>";;;;;;;;;1.47;;;;;;;;;;;;"Lomize AL, Pogozheva ID.: Physics-Based Method for Modeling Passive Membrane Permeability and Translocation Pathways of Bioactive Molecules. J Chem Inf Model, Volume 59 (7), 2019";"PerMM web server"
2-amino-5-phenyl-1,3-oxazol-4-one;MM00402;NC1=NC(=O)C(c2ccccc2)O1;NRNCYVBFPDDJNE-UHFFFAOYSA-N;176.18;0.6;4723;DB01230;;CHEMBL1177;LEC;CPMM;25;0;"<a href=https://permm.phar.umich.edu/  target=_blank>PerMM web server</a>";;;;;;;;;-4.45;;;;;;;;;;;;"Lomize AL, Pogozheva ID.: Physics-Based Method for Modeling Passive Membrane Permeability and Translocation Pathways of Bioactive Molecules. J Chem Inf Model, Volume 59 (7), 2019";"PerMM web server"
"Phenol Red";MM00405;O=S1(=O)OC(c2ccc(O)cc2)(c2ccc(O)cc2)c2ccccc21;BELBBZDIHDAJOR-UHFFFAOYSA-N;354.38;3.11;4766;;;CHEMBL258921;LEC;CPMM;25;0;"<a href=https://permm.phar.umich.edu/  target=_blank>PerMM web server</a>";;;;;;;;;-4.38;;;;;;;;;;;;"Lomize AL, Pogozheva ID.: Physics-Based Method for Modeling Passive Membrane Permeability and Translocation Pathways of Bioactive Molecules. J Chem Inf Model, Volume 59 (7), 2019";"PerMM web server"
Pumafentrine;MM00554;CCOc1cc2c(cc1OC)C(c1ccc(C(=O)N(C(C)C)C(C)C)cc1)=N[C@@H]1CCN(C)C[C@H]21;CVDXFPBVOIERBH-JWQCQUIFSA-N;477.65;4.99;3052763;;;;LEC;CPMM;25;0;"<a href=https://permm.phar.umich.edu/  target=_blank>PerMM web server</a>";;;;;;;;;1.12;;;;;;;;;;;;"Lomize AL, Pogozheva ID.: Physics-Based Method for Modeling Passive Membrane Permeability and Translocation Pathways of Bioactive Molecules. J Chem Inf Model, Volume 59 (7), 2019";"PerMM web server"
Tolafentrine;MM00574;COc1cc2c(cc1OC)[C@@H]1CN(C)CC[C@@H]1N=C2c1ccc(NS(=O)(=O)c2ccc(C)cc2)cc1;FVZJIAUYFDQQKJ-DQEYMECFSA-N;505.64;4.45;65990;;;;LEC;CPMM;25;0;"<a href=https://permm.phar.umich.edu/  target=_blank>PerMM web server</a>";;;;;;;;;-2.54;;;;;;;;;;;;"Lomize AL, Pogozheva ID.: Physics-Based Method for Modeling Passive Membrane Permeability and Translocation Pathways of Bioactive Molecules. J Chem Inf Model, Volume 59 (7), 2019";"PerMM web server"
N-methyl-2-phenyl-N-[(5R,7S,8S)-7-pyrrolidin-1-yl-1-oxaspiro[4.5]decan-8-yl]acetamide;MM00583;CN(C(=O)Cc1ccccc1)[C@H]1CC[C@@]2(CCCO2)C[C@@H]1N1CCCC1;PGZRDDYTKFZSFR-ONTIZHBOSA-N;356.51;3.25;105104;;;;LEC;CPMM;25;0;"<a href=https://permm.phar.umich.edu/  target=_blank>PerMM web server</a>";;;;;;;;;2.39;;;;;;;;;;;;"Lomize AL, Pogozheva ID.: Physics-Based Method for Modeling Passive Membrane Permeability and Translocation Pathways of Bioactive Molecules. J Chem Inf Model, Volume 59 (7), 2019";"PerMM web server"
"2-[5-(4-chlorobenzoyl)-1,4-dimethylpyrrol-2-yl]acetic acid";MM00713;Cc1cc(CC(=O)O)n(C)c1C(=O)c1ccc(Cl)cc1;ZXVNMYWKKDOREA-UHFFFAOYSA-N;291.73;2.85;5733;DB04828;ZOM;CHEMBL19490;LEC;CPMM;25;0;"<a href=https://permm.phar.umich.edu/  target=_blank>PerMM web server</a>";;;;;;;;;-2.46;;;;;;;;;;;;"Lomize AL, Pogozheva ID.: Physics-Based Method for Modeling Passive Membrane Permeability and Translocation Pathways of Bioactive Molecules. J Chem Inf Model, Volume 59 (7), 2019";"PerMM web server"
"N-Octylmalonic Acid";MM00670;CCCCCCCCC(C(=O)O)C(=O)O;QJGNSTCICFBACB-UHFFFAOYSA-N;216.28;2.52;12972;;;;LEC;CPMM;25;0;"<a href=https://permm.phar.umich.edu/  target=_blank>PerMM web server</a>";;;;;;;;;-2.05;;;;;;;;;;;;"Lomize AL, Pogozheva ID.: Physics-Based Method for Modeling Passive Membrane Permeability and Translocation Pathways of Bioactive Molecules. J Chem Inf Model, Volume 59 (7), 2019";"PerMM web server"
"3,5-Dichlorobenzoic Acid";MM00603;O=C(O)c1cc(Cl)cc(Cl)c1;CXKCZFDUOYMOOP-UHFFFAOYSA-N;191.01;2.69;5811;;;;LEC;CPMM;25;0;"<a href=https://permm.phar.umich.edu/  target=_blank>PerMM web server</a>";;;;;;;;;-1.54;;;;;;;;;;;;"Lomize AL, Pogozheva ID.: Physics-Based Method for Modeling Passive Membrane Permeability and Translocation Pathways of Bioactive Molecules. J Chem Inf Model, Volume 59 (7), 2019";"PerMM web server"
"3-Phenylpropionic Acid";MM00605;O=C(O)CCc1ccccc1;XMIIGOLPHOKFCH-UHFFFAOYSA-N;150.18;1.7;107;DB02024;HCI;CHEMBL851;LEC;CPMM;25;0;"<a href=https://permm.phar.umich.edu/  target=_blank>PerMM web server</a>";;;;;;;;;0.13;;;;;;;;;;;;"Lomize AL, Pogozheva ID.: Physics-Based Method for Modeling Passive Membrane Permeability and Translocation Pathways of Bioactive Molecules. J Chem Inf Model, Volume 59 (7), 2019";"PerMM web server"
4-Phenylbutylamine;MM00096;NCCCCc1ccccc1;AGNFWIZBEATIAK-UHFFFAOYSA-N;149.24;1.97;83242;DB04311;PBN;CHEMBL79512;LEC;CPMM;25;0;"<a href=https://permm.phar.umich.edu/  target=_blank>PerMM web server</a>";;;;;;;;;1.39;;;;;;;;;;;;"Lomize AL, Pogozheva ID.: Physics-Based Method for Modeling Passive Membrane Permeability and Translocation Pathways of Bioactive Molecules. J Chem Inf Model, Volume 59 (7), 2019";"PerMM web server"
Aminoguanidine;MM00442;NN=C(N)N;HAMNKKUPIHEESI-UHFFFAOYSA-N;74.09;-1.87;2146;DB05383;AGU;CHEMBL225304;LEC;CPMM;25;0;"<a href=https://permm.phar.umich.edu/  target=_blank>PerMM web server</a>";;;;;;;;;-3.22;;;;;;;;;;;;"Lomize AL, Pogozheva ID.: Physics-Based Method for Modeling Passive Membrane Permeability and Translocation Pathways of Bioactive Molecules. J Chem Inf Model, Volume 59 (7), 2019";"PerMM web server"
Beclomethasone;MM00335;C[C@H]1C[C@H]2[C@@H]3CCC4=CC(=O)C=C[C@]4(C)[C@@]3(Cl)[C@@H](O)C[C@]2(C)[C@@]1(O)C(=O)CO;NBMKJKDGKREAPL-DVTGEIKXSA-N;408.92;2.17;20469;;;;LEC;CPMM;25;0;"<a href=https://permm.phar.umich.edu/  target=_blank>PerMM web server</a>";;;;;;;;;-5.42;;;;;;;;;;;;"Lomize AL, Pogozheva ID.: Physics-Based Method for Modeling Passive Membrane Permeability and Translocation Pathways of Bioactive Molecules. J Chem Inf Model, Volume 59 (7), 2019";"PerMM web server"
Cerivastatin;MM00639;COCc1c(C(C)C)nc(C(C)C)c(C=CC(O)CC(O)CC(=O)O)c1-c1ccc(F)cc1;SEERZIQQUAZTOL-UHFFFAOYSA-N;459.56;4.88;446156;DB00439;116;CHEMBL1477;LEC;CPMM;25;0;"<a href=https://permm.phar.umich.edu/  target=_blank>PerMM web server</a>";;;;;;;;;-1.97;;;;;;;;;;;;"Lomize AL, Pogozheva ID.: Physics-Based Method for Modeling Passive Membrane Permeability and Translocation Pathways of Bioactive Molecules. J Chem Inf Model, Volume 59 (7), 2019";"PerMM web server"
Chlortetracycline;MM00725;CN(C)C1C(=O)C(C(N)=O)=C(O)C2(O)C(=O)C3=C(O)c4c(O)ccc(Cl)c4C(C)(O)C3CC12;DHPRQBPJLMKORJ-XRNKAMNCSA-N;478.89;0.28;54675777;DB09093;CTC;CHEMBL404520;LEC;CPMM;25;0;"<a href=https://permm.phar.umich.edu/  target=_blank>PerMM web server</a>";;;;;;;;;-9.93;;;;;;;;;;;;"Lomize AL, Pogozheva ID.: Physics-Based Method for Modeling Passive Membrane Permeability and Translocation Pathways of Bioactive Molecules. J Chem Inf Model, Volume 59 (7), 2019";"PerMM web server"
CP-141938;MM00471;COc1ccc(N(C)S(C)(=O)=O)cc1CNC1CCCNC1c1ccccc1;GZLOIBNBDUHEFY-UHFFFAOYSA-N;403.55;2.67;10363809;;;;LEC;CPMM;25;0;"<a href=https://permm.phar.umich.edu/  target=_blank>PerMM web server</a>";;;;;;;;;-1.91;;;;;;;;;;;;"Lomize AL, Pogozheva ID.: Physics-Based Method for Modeling Passive Membrane Permeability and Translocation Pathways of Bioactive Molecules. J Chem Inf Model, Volume 59 (7), 2019";"PerMM web server"
1,2-bis(oxiran-2-yl)ethane-1,2-diol;MM00356;OC(C1CO1)C(O)C1CO1;AAFJXZWCNVJTMK-UHFFFAOYSA-N;146.14;-1.49;31789;DB12873;;CHEMBL3137322;LEC;CPMM;25;0;"<a href=https://permm.phar.umich.edu/  target=_blank>PerMM web server</a>";;;;;;;;;-7;;;;;;;;;;;;"Lomize AL, Pogozheva ID.: Physics-Based Method for Modeling Passive Membrane Permeability and Translocation Pathways of Bioactive Molecules. J Chem Inf Model, Volume 59 (7), 2019";"PerMM web server"
DPDPE;MM00731;CC1(C)SSC(C)(C)C(NC(=O)C(N)Cc2ccc(O)cc2)C(=O)NCC(=O)NC(Cc2ccccc2)C(=O)NC1C(=O)O;MCMMCRYPQBNCPH-UHFFFAOYSA-N;645.8;1.11;104787;DB08861;;CHEMBL31421;LEC;CPMM;25;0;"<a href=https://permm.phar.umich.edu/  target=_blank>PerMM web server</a>";;;;;;;;;-11.89;;;;;;;;;;;;"Lomize AL, Pogozheva ID.: Physics-Based Method for Modeling Passive Membrane Permeability and Translocation Pathways of Bioactive Molecules. J Chem Inf Model, Volume 59 (7), 2019";"PerMM web server"
3,3-diphenyl-N-(1-phenylethyl)propan-1-amine;MM00492;CC(NCCC(c1ccccc1)c1ccccc1)c1ccccc1;NMKSAYKQLCHXDK-UHFFFAOYSA-N;315.46;5.56;3336;DB08980;;CHEMBL254832;LEC;CPMM;25;0;"<a href=https://permm.phar.umich.edu/  target=_blank>PerMM web server</a>";;;;;;;;;6;;;;;;;;;;;;"Lomize AL, Pogozheva ID.: Physics-Based Method for Modeling Passive Membrane Permeability and Translocation Pathways of Bioactive Molecules. J Chem Inf Model, Volume 59 (7), 2019";"PerMM web server"
Fleroxacin;MM00736;CN1CCN(c2c(F)cc3c(=O)c(C(=O)O)cn(CCF)c3c2F)CC1;XBJBPGROQZJDOJ-UHFFFAOYSA-N;369.34;1.7;3357;DB04576;;CHEMBL6273;LEC;CPMM;25;0;"<a href=https://permm.phar.umich.edu/  target=_blank>PerMM web server</a>";;;;;;;;;-6.17;;;;;;;;;;;;"Lomize AL, Pogozheva ID.: Physics-Based Method for Modeling Passive Membrane Permeability and Translocation Pathways of Bioactive Molecules. J Chem Inf Model, Volume 59 (7), 2019";"PerMM web server"
"Flufenamic Acid";MM00645;O=C(O)c1ccccc1Nc1cccc(C(F)(F)F)c1;LPEPZBJOKDYZAD-UHFFFAOYSA-N;281.23;4.15;3371;DB02266;FLF;CHEMBL23588;LEC;CPMM;25;0;"<a href=https://permm.phar.umich.edu/  target=_blank>PerMM web server</a>";;;;;;;;;-0.64;;;;;;;;;;;;"Lomize AL, Pogozheva ID.: Physics-Based Method for Modeling Passive Membrane Permeability and Translocation Pathways of Bioactive Molecules. J Chem Inf Model, Volume 59 (7), 2019";"PerMM web server"
5,7-dihydroxy-2-(4-hydroxyphenyl)-6-methoxychromen-4-one;MM00372;COc1c(O)cc2oc(-c3ccc(O)cc3)cc(=O)c2c1O;IHFBPDAQLQOCBX-UHFFFAOYSA-N;300.27;2.59;5281628;;;;LEC;CPMM;25;0;"<a href=https://permm.phar.umich.edu/  target=_blank>PerMM web server</a>";;;;;;;;;-4.48;;;;;;;;;;;;"Lomize AL, Pogozheva ID.: Physics-Based Method for Modeling Passive Membrane Permeability and Translocation Pathways of Bioactive Molecules. J Chem Inf Model, Volume 59 (7), 2019";"PerMM web server"
2-iodoacetamide;MM00376;NC(=O)CI;PGLTVOMIXTUURA-UHFFFAOYSA-N;184.96;-0.09;3727;;;;LEC;CPMM;25;0;"<a href=https://permm.phar.umich.edu/  target=_blank>PerMM web server</a>";;;;;;;;;-3.26;;;;;;;;;;;;"Lomize AL, Pogozheva ID.: Physics-Based Method for Modeling Passive Membrane Permeability and Translocation Pathways of Bioactive Molecules. J Chem Inf Model, Volume 59 (7), 2019";"PerMM web server"
Isobutyramide;MM00378;CC(C)C(N)=O;WFKAJVHLWXSISD-UHFFFAOYSA-N;87.12;0.13;68424;;;;LEC;CPMM;25;0;"<a href=https://permm.phar.umich.edu/  target=_blank>PerMM web server</a>";;;;;;;;;-2.07;;;;;;;;;;;;"Lomize AL, Pogozheva ID.: Physics-Based Method for Modeling Passive Membrane Permeability and Translocation Pathways of Bioactive Molecules. J Chem Inf Model, Volume 59 (7), 2019";"PerMM web server"
Methylurea;MM00389;CNC(N)=O;XGEGHDBEHXKFPX-UHFFFAOYSA-N;74.08;-0.72;11719;;;;LEC;CPMM;25;0;"<a href=https://permm.phar.umich.edu/  target=_blank>PerMM web server</a>";;;;;;;;;-5.54;;;;;;;;;;;;"Lomize AL, Pogozheva ID.: Physics-Based Method for Modeling Passive Membrane Permeability and Translocation Pathways of Bioactive Molecules. J Chem Inf Model, Volume 59 (7), 2019";"PerMM web server"
1-methoxy-3-(2-nitroimidazol-1-yl)propan-2-ol;MM00521;COCC(O)Cn1ccnc1[N+](=O)[O-];OBBCSXFCDPPXOL-UHFFFAOYSA-N;201.18;-0.2;26105;DB11716;;CHEMBL42161;LEC;CPMM;25;0;"<a href=https://permm.phar.umich.edu/  target=_blank>PerMM web server</a>";;;;;;;;;-4.76;;;;;;;;;;;;"Lomize AL, Pogozheva ID.: Physics-Based Method for Modeling Passive Membrane Permeability and Translocation Pathways of Bioactive Molecules. J Chem Inf Model, Volume 59 (7), 2019";"PerMM web server"
Naltrindole;MM00527;Oc1ccc2c3c1O[C@H]1c4[nH]c5ccccc5c4C[C@@]4(O)[C@@H](C2)N(CC2CC2)CC[C@]314;WIYUZYBFCWCCQJ-IFKAHUTRSA-N;414.51;3.57;5497186;;;;LEC;CPMM;25;0;"<a href=https://permm.phar.umich.edu/  target=_blank>PerMM web server</a>";;;;;;;;;-0.39;;;;;;;;;;;;"Lomize AL, Pogozheva ID.: Physics-Based Method for Modeling Passive Membrane Permeability and Translocation Pathways of Bioactive Molecules. J Chem Inf Model, Volume 59 (7), 2019";"PerMM web server"
Neotrofin;MM00674;O=C(CCn1cnc2c(=O)nc[nH]c21)Nc1ccc(C(=O)[O-])cc1.[K+];MICLTPPSCUXHJT-UHFFFAOYSA-M;365.39;-3.48;23663995;;;;LEC;CPMM;25;0;"<a href=https://permm.phar.umich.edu/  target=_blank>PerMM web server</a>";;;;;;;;;-9.21;;;;;;;;;;;;"Lomize AL, Pogozheva ID.: Physics-Based Method for Modeling Passive Membrane Permeability and Translocation Pathways of Bioactive Molecules. J Chem Inf Model, Volume 59 (7), 2019";"PerMM web server"
"Oxolinic Acid";MM00677;CCn1cc(C(=O)O)c(=O)c2cc3c(cc21)OCO3;KYGZCKSPAKDVKC-UHFFFAOYSA-N;261.23;1.45;4628;;;;LEC;CPMM;25;0;"<a href=https://permm.phar.umich.edu/  target=_blank>PerMM web server</a>";;;;;;;;;-5.65;;;;;;;;;;;;"Lomize AL, Pogozheva ID.: Physics-Based Method for Modeling Passive Membrane Permeability and Translocation Pathways of Bioactive Molecules. J Chem Inf Model, Volume 59 (7), 2019";"PerMM web server"
Amylamine;MM00537;CCCCCN;DPBLXKKOBLCELK-UHFFFAOYSA-N;87.17;1.14;8060;DB02045;AML;;LEC;CPMM;25;0;"<a href=https://permm.phar.umich.edu/  target=_blank>PerMM web server</a>";;;;;;;;;0.14;;;;;;;;;;;;"Lomize AL, Pogozheva ID.: Physics-Based Method for Modeling Passive Membrane Permeability and Translocation Pathways of Bioactive Molecules. J Chem Inf Model, Volume 59 (7), 2019";"PerMM web server"
Pramocaine;MM00546;CCCCOc1ccc(OCCCN2CCOCC2)cc1;DQKXQSGTHWVTAD-UHFFFAOYSA-N;293.41;2.97;4886;DB09345;PX9;CHEMBL1198;LEC;CPMM;25;0;"<a href=https://permm.phar.umich.edu/  target=_blank>PerMM web server</a>";;;;;;;;;0.48;;;;;;;;;;;;"Lomize AL, Pogozheva ID.: Physics-Based Method for Modeling Passive Membrane Permeability and Translocation Pathways of Bioactive Molecules. J Chem Inf Model, Volume 59 (7), 2019";"PerMM web server"
Propanamide;MM00413;CCC(N)=O;QLNJFJADRCOGBJ-UHFFFAOYSA-N;73.1;-0.12;6578;DB04161;ROP;CHEMBL1235716;LEC;CPMM;25;0;"<a href=https://permm.phar.umich.edu/  target=_blank>PerMM web server</a>";;;;;;;;;-2.51;;;;;;;;;;;;"Lomize AL, Pogozheva ID.: Physics-Based Method for Modeling Passive Membrane Permeability and Translocation Pathways of Bioactive Molecules. J Chem Inf Model, Volume 59 (7), 2019";"PerMM web server"
Tol-Gly;MM00698;Cc1ccc(C(=O)NCC(=O)O)cc1;NRSCPTLHWVWLLH-UHFFFAOYSA-N;193.2;0.81;97479;;;;LEC;CPMM;25;0;"<a href=https://permm.phar.umich.edu/  target=_blank>PerMM web server</a>";;;;;;;;;-3.13;;;;;;;;;;;;"Lomize AL, Pogozheva ID.: Physics-Based Method for Modeling Passive Membrane Permeability and Translocation Pathways of Bioactive Molecules. J Chem Inf Model, Volume 59 (7), 2019";"PerMM web server"
1,2,3,4,5-pentachloro-6-nitrobenzene;MM00416;O=[N+]([O-])c1c(Cl)c(Cl)c(Cl)c(Cl)c1Cl;LKPLKUMXSAEKID-UHFFFAOYSA-N;295.34;4.86;6720;;;;LEC;CPMM;25;0;"<a href=https://permm.phar.umich.edu/  target=_blank>PerMM web server</a>";;;;;;;;;-1.36;;;;;;;;;;;;"Lomize AL, Pogozheva ID.: Physics-Based Method for Modeling Passive Membrane Permeability and Translocation Pathways of Bioactive Molecules. J Chem Inf Model, Volume 59 (7), 2019";"PerMM web server"
1,3-Propanediol;MM00313;OCCCO;YPFDHNVEDLHUCE-UHFFFAOYSA-N;76.1;-0.64;10442;DB02774;PDO;CHEMBL379652;LEC;CPMM;25;0;"<a href=https://permm.phar.umich.edu/  target=_blank>PerMM web server</a>";;;;;;;;;-4.43;;;;;;;;;;;;"Lomize AL, Pogozheva ID.: Physics-Based Method for Modeling Passive Membrane Permeability and Translocation Pathways of Bioactive Molecules. J Chem Inf Model, Volume 59 (7), 2019";"PerMM web server"
Water;MM00431;O;XLYOFNOQVPJJNP-UHFFFAOYSA-N;18.02;-0.82;962;DB09145;HOH;CHEMBL1098659;LEC;CPMM;25;0;"<a href=https://permm.phar.umich.edu/  target=_blank>PerMM web server</a>";;;;;;;;;-4.32;;;;;;;;;;;;"Lomize AL, Pogozheva ID.: Physics-Based Method for Modeling Passive Membrane Permeability and Translocation Pathways of Bioactive Molecules. J Chem Inf Model, Volume 59 (7), 2019";"PerMM web server"
Ammonia;MM00445;N;QGZKDVFQNNGYKY-UHFFFAOYSA-N;17.03;0.16;222;DB11118;;;LEC;CPMM;25;0;"<a href=https://permm.phar.umich.edu/  target=_blank>PerMM web server</a>";;;;;;;;;-3.51;;;;;;;;;;;;"Lomize AL, Pogozheva ID.: Physics-Based Method for Modeling Passive Membrane Permeability and Translocation Pathways of Bioactive Molecules. J Chem Inf Model, Volume 59 (7), 2019";"PerMM web server"
Pentanamide;MM00403;CCCCC(N)=O;IPWFJLQDVFKJDU-UHFFFAOYSA-N;101.15;0.66;12298;;;;LEC;CPMM;25;0;"<a href=https://permm.phar.umich.edu/  target=_blank>PerMM web server</a>";;;;;;;;;-1.97;;;;;;;;;;;;"Lomize AL, Pogozheva ID.: Physics-Based Method for Modeling Passive Membrane Permeability and Translocation Pathways of Bioactive Molecules. J Chem Inf Model, Volume 59 (7), 2019";"PerMM web server"
"Heptanoic Acid";MM00653;CCCCCCC(=O)O;MNWFXJYAOYHMED-UHFFFAOYSA-N;130.19;2.04;8094;DB02938;SHV;CHEMBL320358;LEC;CPMM;25;0;"<a href=https://permm.phar.umich.edu/  target=_blank>PerMM web server</a>";;;;;;;;;-0.18;;;;;;;;;;;;"Lomize AL, Pogozheva ID.: Physics-Based Method for Modeling Passive Membrane Permeability and Translocation Pathways of Bioactive Molecules. J Chem Inf Model, Volume 59 (7), 2019";"PerMM web server"
"Hydrofluoric Acid";MM00655;F;KRHYYFGTRYWZRS-UHFFFAOYSA-N;20.01;0.15;14917;DB11072;;CHEMBL1232767;LEC;CPMM;25;0;"<a href=https://permm.phar.umich.edu/  target=_blank>PerMM web server</a>";;;;;;;;;0.22;;;;;;;;;;;;"Lomize AL, Pogozheva ID.: Physics-Based Method for Modeling Passive Membrane Permeability and Translocation Pathways of Bioactive Molecules. J Chem Inf Model, Volume 59 (7), 2019";"PerMM web server"
"Hydrofluoric Acid";MM00655;F;KRHYYFGTRYWZRS-UHFFFAOYSA-N;20.01;0.15;14917;DB11072;;CHEMBL1232767;LEC;CPMM;25;-1;"<a href=https://permm.phar.umich.edu/  target=_blank>PerMM web server</a>";;;;;;;;;0.22;;;;;;;;;;;;"Lomize AL, Pogozheva ID.: Physics-Based Method for Modeling Passive Membrane Permeability and Translocation Pathways of Bioactive Molecules. J Chem Inf Model, Volume 59 (7), 2019";"PerMM web server"
"Malic Acid";MM00666;O=C(O)CC(O)C(=O)O;BJEPYKJPYRNKOW-UHFFFAOYSA-N;134.09;-1.09;525;DB12751;;CHEMBL1455497;LEC;CPMM;25;0;"<a href=https://permm.phar.umich.edu/  target=_blank>PerMM web server</a>";;;;;;;;;-8.24;;;;;;;;;;;;"Lomize AL, Pogozheva ID.: Physics-Based Method for Modeling Passive Membrane Permeability and Translocation Pathways of Bioactive Molecules. J Chem Inf Model, Volume 59 (7), 2019";"PerMM web server"
Dextromethorphan;MM00475;COc1ccc2c(c1)C13CCCCC1C(C2)N(C)CC3;MKXZASYAUGDDCJ-UHFFFAOYSA-N;271.4;3.38;5360696;DB00514;;CHEMBL52440;LEC;CPMM;25;0;"<a href=https://permm.phar.umich.edu/  target=_blank>PerMM web server</a>";;;;;;;;;1.54;;;;;;;;;;;;"Lomize AL, Pogozheva ID.: Physics-Based Method for Modeling Passive Membrane Permeability and Translocation Pathways of Bioactive Molecules. J Chem Inf Model, Volume 59 (7), 2019";"PerMM web server"
Lincomycin;MM00508;CCCC1CC(C(=O)NC(C(C)O)C2OC(SC)C(O)C(O)C2O)N(C)C1;OJMMVQQUTAEWLP-KIDUDLJLSA-N;406.55;-0.86;3000540;DB01627;3QB;CHEMBL1447;LEC;CPMM;25;0;"<a href=https://permm.phar.umich.edu/  target=_blank>PerMM web server</a>";;;;;;;;;-9.23;;;;;;;;;;;;"Lomize AL, Pogozheva ID.: Physics-Based Method for Modeling Passive Membrane Permeability and Translocation Pathways of Bioactive Molecules. J Chem Inf Model, Volume 59 (7), 2019";"PerMM web server"
Ranitidine;MM01053;CNC(=C[N+](=O)[O-])NCCSCc1ccc(CN(C)C)o1;VMXUWOKSQNHOCA-UHFFFAOYSA-N;314.41;1.46;5039;;;;LEC;CPMM;25;0;"<a href=https://permm.phar.umich.edu/  target=_blank>PerMM web server</a>";;;;;;;;;-1.82;;;;;;;;;;;;"Lomize AL, Pogozheva ID.: Physics-Based Method for Modeling Passive Membrane Permeability and Translocation Pathways of Bioactive Molecules. J Chem Inf Model, Volume 59 (7), 2019";"PerMM web server"
Saquinavir;MM00563;CC(C)(C)NC(=O)C1CC2CCCCC2CN1CC(O)C(Cc1ccccc1)NC(=O)C(CC(N)=O)NC(=O)c1ccc2ccccc2n1;QWAXKHKRTORLEM-UHFFFAOYSA-N;670.86;3.09;441243;DB01232;ROC;CHEMBL114;LEC;CPMM;25;0;"<a href=https://permm.phar.umich.edu/  target=_blank>PerMM web server</a>";;;;;;;;;-4.68;;;;;;;;;;;;"Lomize AL, Pogozheva ID.: Physics-Based Method for Modeling Passive Membrane Permeability and Translocation Pathways of Bioactive Molecules. J Chem Inf Model, Volume 59 (7), 2019";"PerMM web server"
Scopolamine;MM00564;CN1[C@H]2CC(OC(=O)[C@H](CO)c3ccccc3)C[C@@H]1[C@H]1O[C@@H]21;STECJAGHUSJQJN-USLFZFAMSA-N;303.36;0.92;3000322;DB00747;;CHEMBL569713;LEC;CPMM;25;0;"<a href=https://permm.phar.umich.edu/  target=_blank>PerMM web server</a>";;;;;;;;;-1.37;;;;;;;;;;;;"Lomize AL, Pogozheva ID.: Physics-Based Method for Modeling Passive Membrane Permeability and Translocation Pathways of Bioactive Molecules. J Chem Inf Model, Volume 59 (7), 2019";"PerMM web server"
Vinblastine;MM00586;CCC1(O)CC2CN(CCc3c([nH]c4ccccc34)C(C(=O)OC)(c3cc4c(cc3OC)N(C)C3C(O)(C(=O)OC)C(OC(C)=O)C5(CC)C=CCN6CCC43C65)C2)C1;JXLYSJRDGCGARV-UHFFFAOYSA-N;810.99;3.99;241903;DB00570;VLB;CHEMBL22969;LEC;CPMM;25;0;"<a href=https://permm.phar.umich.edu/  target=_blank>PerMM web server</a>";;;;;;;;;-3.29;;;;;;;;;;;;"Lomize AL, Pogozheva ID.: Physics-Based Method for Modeling Passive Membrane Permeability and Translocation Pathways of Bioactive Molecules. J Chem Inf Model, Volume 59 (7), 2019";"PerMM web server"
11-Dehydrocorticosterone;MM00315;C[C@]12CC(=O)[C@H]3[C@@H](CCC4=CC(=O)CC[C@@]43C)[C@@H]1CC[C@@H]2C(=O)CO;FUFLCEKSBBHCMO-KJQYFISQSA-N;344.45;2.87;5311364;;;;LEC;CPMM;25;0;"<a href=https://permm.phar.umich.edu/  target=_blank>PerMM web server</a>";;;;;;;;;-3.53;;;;;;;;;;;;"Lomize AL, Pogozheva ID.: Physics-Based Method for Modeling Passive Membrane Permeability and Translocation Pathways of Bioactive Molecules. J Chem Inf Model, Volume 59 (7), 2019";"PerMM web server"
Aldosterone;MM00327;CC12CCC(=O)C=C1CCC1C2C(O)CC2(C=O)C(C(=O)CO)CCC12;PQSUYGKTWSAVDQ-ZVIOFETBSA-N;360.45;1.85;5839;DB04630;AS4;CHEMBL273453;LEC;CPMM;25;0;"<a href=https://permm.phar.umich.edu/  target=_blank>PerMM web server</a>";;;;;;;;;-5.7;;;;;;;;;;;;"Lomize AL, Pogozheva ID.: Physics-Based Method for Modeling Passive Membrane Permeability and Translocation Pathways of Bioactive Molecules. J Chem Inf Model, Volume 59 (7), 2019";"PerMM web server"
D-Fructose;MM00351;OCC1(O)OC[C@@H](O)[C@@H](O)[C@@H]1O;LKDRXBCSQODPBY-VRPWFDPXSA-N;180.16;-3.22;2723872;;;;LEC;CPMM;25;0;"<a href=https://permm.phar.umich.edu/  target=_blank>PerMM web server</a>";;;;;;;;;-10.46;;;;;;;;;;;;"Lomize AL, Pogozheva ID.: Physics-Based Method for Modeling Passive Membrane Permeability and Translocation Pathways of Bioactive Molecules. J Chem Inf Model, Volume 59 (7), 2019";"PerMM web server"
Ketoconazole;MM00506;CC(=O)N1CCN(c2ccc(OCC3COC(Cn4ccnc4)(c4ccc(Cl)cc4Cl)O3)cc2)CC1;XMAYWYJOQHXEEK-UHFFFAOYSA-N;531.44;4.21;3823;DB01026;KTN;CHEMBL157101;LEC;CPMM;25;0;"<a href=https://permm.phar.umich.edu/  target=_blank>PerMM web server</a>";;;;;;;;;-2.46;;;;;;;;;;;;"Lomize AL, Pogozheva ID.: Physics-Based Method for Modeling Passive Membrane Permeability and Translocation Pathways of Bioactive Molecules. J Chem Inf Model, Volume 59 (7), 2019";"PerMM web server"
Naringenin;MM00673;O=C1CC(c2ccc(O)cc2)Oc2cc(O)cc(O)c21;FTVWIRXFELQLPI-UHFFFAOYSA-N;272.26;2.51;439246;DB03467;NAR;CHEMBL9352;LEC;CPMM;25;0;"<a href=https://permm.phar.umich.edu/  target=_blank>PerMM web server</a>";;;;;;;;;-4.92;;;;;;;;;;;;"Lomize AL, Pogozheva ID.: Physics-Based Method for Modeling Passive Membrane Permeability and Translocation Pathways of Bioactive Molecules. J Chem Inf Model, Volume 59 (7), 2019";"PerMM web server"
Silibinin;MM00420;COc1cc([C@H]2Oc3cc([C@H]4Oc5cc(O)cc(O)c5C(=O)[C@@H]4O)ccc3O[C@@H]2CO)ccc1O;SEBFKMXJBCUCAI-HKTJVKLFSA-N;482.44;2.36;31553;DB09298;;CHEMBL431701;LEC;CPMM;25;0;"<a href=https://permm.phar.umich.edu/  target=_blank>PerMM web server</a>";;;;;;;;;-11.12;;;;;;;;;;;;"Lomize AL, Pogozheva ID.: Physics-Based Method for Modeling Passive Membrane Permeability and Translocation Pathways of Bioactive Molecules. J Chem Inf Model, Volume 59 (7), 2019";"PerMM web server"
Cefsulodin;MM00720;NC(=O)c1cc[n+](CC2=C(C(=O)O)N3C(=O)C(NC(=O)C(c4ccccc4)S(=O)(=O)O)C3SC2)cc1;SYLKGLMBLAAGSC-UHFFFAOYSA-O;533.56;-0.56;656575;;;;LEC;CPMM;25;0;"<a href=https://permm.phar.umich.edu/  target=_blank>PerMM web server</a>";;;;;;;;;-13.43;;;;;;;;;;;;"Lomize AL, Pogozheva ID.: Physics-Based Method for Modeling Passive Membrane Permeability and Translocation Pathways of Bioactive Molecules. J Chem Inf Model, Volume 59 (7), 2019";"PerMM web server"
CNV97100;MM00727;CC1CN(c2cc3c(cc2F)c(=O)c(C(=O)O)cn3C2CC2)CCN1.O=C(O)C(F)(F)F;URJUNYOPXJPQGS-UHFFFAOYSA-N;459.4;2.61;46781144;;;;LEC;CPMM;25;0;"<a href=https://permm.phar.umich.edu/  target=_blank>PerMM web server</a>";;;;;;;;;-4.54;;;;;;;;;;;;"Lomize AL, Pogozheva ID.: Physics-Based Method for Modeling Passive Membrane Permeability and Translocation Pathways of Bioactive Molecules. J Chem Inf Model, Volume 59 (7), 2019";"PerMM web server"
"Cyclosporine A";MM00349;CC=CCC(C)C(O)C1C(=O)NC(CC)C(=O)N(C)CC(=O)N(C)C(CC(C)C)C(=O)NC(C(C)C)C(=O)N(C)C(CC(C)C)C(=O)NC(C)C(=O)NC(C)C(=O)N(C)C(CC(C)C)C(=O)N(C)C(CC(C)C)C(=O)N(C)C(C(C)C)C(=O)N1C;PMATZTZNYRCHOR-UHFFFAOYSA-N;1202.64;3.27;5284373;DB00091;;CHEMBL160;LEC;CPMM;25;0;"<a href=https://permm.phar.umich.edu/  target=_blank>PerMM web server</a>";;;;;;;;;-1.57;;;;;;;;;;;;"Lomize AL, Pogozheva ID.: Physics-Based Method for Modeling Passive Membrane Permeability and Translocation Pathways of Bioactive Molecules. J Chem Inf Model, Volume 59 (7), 2019";"PerMM web server"
Gly-Pro;MM00739;NCC(=O)N1CCCC1C(=O)O;KZNQNBZMBZJQJO-UHFFFAOYSA-N;172.18;-0.98;3013625;;;CHEMBL80548;LEC;CPMM;25;0;"<a href=https://permm.phar.umich.edu/  target=_blank>PerMM web server</a>";;;;;;;;;-6.67;;;;;;;;;;;;"Lomize AL, Pogozheva ID.: Physics-Based Method for Modeling Passive Membrane Permeability and Translocation Pathways of Bioactive Molecules. J Chem Inf Model, Volume 59 (7), 2019";"PerMM web server"
Me-ciprofloxacin;MM01307;CN1CCN(c2cc3c(cc2F)c(=O)c(C(=O)O)cn3C2CC2)CC1;TXJIOKSSHCOKKH-UHFFFAOYSA-N;345.37;1.93;465907;;;;LEC;CPMM;25;0;"<a href=https://permm.phar.umich.edu/  target=_blank>PerMM web server</a>";;;;;;;;;-4.22;;;;;;;;;;;;"Lomize AL, Pogozheva ID.: Physics-Based Method for Modeling Passive Membrane Permeability and Translocation Pathways of Bioactive Molecules. J Chem Inf Model, Volume 59 (7), 2019";"PerMM web server"
Tol-Gly-Gly-Sar;MM00701;Cc1ccc(C(=O)NCC(=O)NCC(=O)N(C)CC(=O)O)cc1;GPOXNQMQXBXEJG-UHFFFAOYSA-N;321.33;-0.62;;;;;LEC;CPMM;25;0;"<a href=https://permm.phar.umich.edu/  target=_blank>PerMM web server</a>";;;;;;;;;-6.54;;;;;;;;;;;;"Lomize AL, Pogozheva ID.: Physics-Based Method for Modeling Passive Membrane Permeability and Translocation Pathways of Bioactive Molecules. J Chem Inf Model, Volume 59 (7), 2019";"PerMM web server"
Tol-Ala-Ala-Ala;MM00697;Cc1ccc(C(=O)N[C@@H](C)C(=O)NC(C)C(=O)NC(C)C(=O)O)cc1;AWXUDMFMJWEFLI-CXQJBGSLSA-N;349.39;0.21;;;;;LEC;CPMM;25;0;"<a href=https://permm.phar.umich.edu/  target=_blank>PerMM web server</a>";;;;;;;;;-5.53;;;;;;;;;;;;"Lomize AL, Pogozheva ID.: Physics-Based Method for Modeling Passive Membrane Permeability and Translocation Pathways of Bioactive Molecules. J Chem Inf Model, Volume 59 (7), 2019";"PerMM web server"
Tol-Ala-Ala;MM00696;Cc1ccc(C(=O)N[C@@H](C)C(=O)NC(C)C(=O)O)cc1;FBAZKLTYPHRTPD-RGURZIINSA-N;278.31;0.7;;;;;LEC;CPMM;25;0;"<a href=https://permm.phar.umich.edu/  target=_blank>PerMM web server</a>";;;;;;;;;-3.72;;;;;;;;;;;;"Lomize AL, Pogozheva ID.: Physics-Based Method for Modeling Passive Membrane Permeability and Translocation Pathways of Bioactive Molecules. J Chem Inf Model, Volume 59 (7), 2019";"PerMM web server"
Tol-Ala;MM00695;Cc1ccc(C(=O)N[C@@H](C)C(=O)O)cc1;LUQFCOKRPYVJGV-QMMMGPOBSA-N;207.23;1.2;702949;;;;LEC;CPMM;25;0;"<a href=https://permm.phar.umich.edu/  target=_blank>PerMM web server</a>";;;;;;;;;-2.01;;;;;;;;;;;;"Lomize AL, Pogozheva ID.: Physics-Based Method for Modeling Passive Membrane Permeability and Translocation Pathways of Bioactive Molecules. J Chem Inf Model, Volume 59 (7), 2019";"PerMM web server"
Tol-Gly-Gly-Gly;MM00700;Cc1ccc(C(=O)NCC(=O)NCC(=O)NCC(=O)O)cc1;OQIOHQJDADAQRO-UHFFFAOYSA-N;307.31;-0.96;;;;;LEC;CPMM;25;0;"<a href=https://permm.phar.umich.edu/  target=_blank>PerMM web server</a>";;;;;;;;;-7.94;;;;;;;;;;;;"Lomize AL, Pogozheva ID.: Physics-Based Method for Modeling Passive Membrane Permeability and Translocation Pathways of Bioactive Molecules. J Chem Inf Model, Volume 59 (7), 2019";"PerMM web server"
Tol-Gly-Gly;MM00699;Cc1ccc(C(=O)NCC(=O)NCC(=O)O)cc1;GFMIXHRADKOCKD-UHFFFAOYSA-N;250.25;-0.07;1612474;;;;LEC;CPMM;25;0;"<a href=https://permm.phar.umich.edu/  target=_blank>PerMM web server</a>";;;;;;;;;-4.67;;;;;;;;;;;;"Lomize AL, Pogozheva ID.: Physics-Based Method for Modeling Passive Membrane Permeability and Translocation Pathways of Bioactive Molecules. J Chem Inf Model, Volume 59 (7), 2019";"PerMM web server"
Tol-Gly-Sar-Gly;MM00703;Cc1ccc(C(=O)NCC(=O)N(C)CC(=O)NCC(=O)O)cc1;VDLFQRLCHVTMPD-UHFFFAOYSA-N;321.33;-0.62;;;;;LEC;CPMM;25;0;"<a href=https://permm.phar.umich.edu/  target=_blank>PerMM web server</a>";;;;;;;;;-6.32;;;;;;;;;;;;"Lomize AL, Pogozheva ID.: Physics-Based Method for Modeling Passive Membrane Permeability and Translocation Pathways of Bioactive Molecules. J Chem Inf Model, Volume 59 (7), 2019";"PerMM web server"
Tol-Gly-Sar;MM00702;Cc1ccc(C(=O)NCC(=O)N(C)CC(=O)O)cc1;LKGQGAPFEYAOCE-UHFFFAOYSA-N;264.28;0.27;43356167;;;;LEC;CPMM;25;0;"<a href=https://permm.phar.umich.edu/  target=_blank>PerMM web server</a>";;;;;;;;;-4.89;;;;;;;;;;;;"Lomize AL, Pogozheva ID.: Physics-Based Method for Modeling Passive Membrane Permeability and Translocation Pathways of Bioactive Molecules. J Chem Inf Model, Volume 59 (7), 2019";"PerMM web server"
Tol-Sar-Gly-Gly;MM00706;Cc1ccc(C(=O)N(C)CC(=O)NCC(=O)NCC(=O)O)cc1;GQINUZIFINBVAM-UHFFFAOYSA-N;321.33;-0.62;;;;;LEC;CPMM;25;0;"<a href=https://permm.phar.umich.edu/  target=_blank>PerMM web server</a>";;;;;;;;;-6.72;;;;;;;;;;;;"Lomize AL, Pogozheva ID.: Physics-Based Method for Modeling Passive Membrane Permeability and Translocation Pathways of Bioactive Molecules. J Chem Inf Model, Volume 59 (7), 2019";"PerMM web server"
Tol-Sar-Gly;MM00705;Cc1ccc(C(=O)N(C)CC(=O)NCC(=O)O)cc1;JDZZMSKJRWYDMH-UHFFFAOYSA-N;264.28;0.27;;;;;LEC;CPMM;25;0;"<a href=https://permm.phar.umich.edu/  target=_blank>PerMM web server</a>";;;;;;;;;-4.7;;;;;;;;;;;;"Lomize AL, Pogozheva ID.: Physics-Based Method for Modeling Passive Membrane Permeability and Translocation Pathways of Bioactive Molecules. J Chem Inf Model, Volume 59 (7), 2019";"PerMM web server"
Tol-Sar-Sar-Gly;MM00707;Cc1ccc(C(=O)N(C)CC(=O)N(C)CC(=O)NCC(=O)O)cc1;GQJNIDFZAHXWIX-UHFFFAOYSA-N;335.36;-0.27;;;;;LEC;CPMM;25;0;"<a href=https://permm.phar.umich.edu/  target=_blank>PerMM web server</a>";;;;;;;;;-6.66;;;;;;;;;;;;"Lomize AL, Pogozheva ID.: Physics-Based Method for Modeling Passive Membrane Permeability and Translocation Pathways of Bioactive Molecules. J Chem Inf Model, Volume 59 (7), 2019";"PerMM web server"
Tol-Sar;MM00704;Cc1ccc(C(=O)N(C)CC(=O)O)cc1;WKEPQHRTXMIHLM-UHFFFAOYSA-N;207.23;1.15;16777360;;;;LEC;CPMM;25;0;"<a href=https://permm.phar.umich.edu/  target=_blank>PerMM web server</a>";;;;;;;;;-3.09;;;;;;;;;;;;"Lomize AL, Pogozheva ID.: Physics-Based Method for Modeling Passive Membrane Permeability and Translocation Pathways of Bioactive Molecules. J Chem Inf Model, Volume 59 (7), 2019";"PerMM web server"
1,6-Hexanediol;MM00009;C[C@@H](O)CC[C@@H](C)O;OHMBHFSEKCCCBW-PHDIDXHHSA-N;118.18;0.53;43078;DB02210;HEZ;CHEMBL458616;LEC;CPMM;25;0;"<a href=https://permm.phar.umich.edu/  target=_blank>PerMM web server</a>";;;;;;;;;-1.88;;;;;;;;;;;;"Lomize AL, Pogozheva ID.: Physics-Based Method for Modeling Passive Membrane Permeability and Translocation Pathways of Bioactive Molecules. J Chem Inf Model, Volume 59 (7), 2019";"PerMM web server"
CNV97103;MM00729;CCCN1CCN(c2cc3c(cc2F)c(=O)c(C(=O)O)cn3C2CC2)CC1C;WPGHZQMHNTXSAF-UHFFFAOYSA-N;387.46;3.09;13326823;;;;LEC;CPMM;25;0;"<a href=https://permm.phar.umich.edu/  target=_blank>PerMM web server</a>";;;;;;;;;-3.23;;;;;;;;;;;;"Lomize AL, Pogozheva ID.: Physics-Based Method for Modeling Passive Membrane Permeability and Translocation Pathways of Bioactive Molecules. J Chem Inf Model, Volume 59 (7), 2019";"PerMM web server"
Acebutolol;MM00437;CCCC(=O)Nc1ccc(OCC(O)CNC(C)C)c(C(C)=O)c1;GOEMGAFJFRBGGG-OAHLLOKOSA-N;336.43;2.37;1978;DB01193;;CHEMBL642;LEC;CPMM;25;+1;"pH=7.4 ,<a href=https://permm.phar.umich.edu/  target=_blank>PerMM web server</a>";;;;;;;;;-4.11;;;;;;;;;;;;"Lomize AL, Pogozheva ID.: Physics-Based Method for Modeling Passive Membrane Permeability and Translocation Pathways of Bioactive Molecules. J Chem Inf Model, Volume 59 (7), 2019";"PerMM web server"
Alprenolol;MM00440;C=CCc1ccccc1OCC(O)CNC(C)C;PAZJSJFMUHDSTF-CQSZACIVSA-N;249.35;2.15;2119;DB00866;;CHEMBL266195;LEC;CPMM;25;+1;"pH=7.4 ,<a href=https://permm.phar.umich.edu/  target=_blank>PerMM web server</a>";;;;;;;;;-0.02;;;;;;;;;;;;"Lomize AL, Pogozheva ID.: Physics-Based Method for Modeling Passive Membrane Permeability and Translocation Pathways of Bioactive Molecules. J Chem Inf Model, Volume 59 (7), 2019";"PerMM web server"
Adamantan-1-amine;MM00441;N[C@]12C[C@H]3C[C@H](C[C@H](C3)C1)C2;DKNWSYNQZKUICI-CHIWXEEVSA-N;151.25;1.91;2130;DB00915;;CHEMBL660;LEC;CPMM;25;+1;"pH=7.4 ,<a href=https://permm.phar.umich.edu/  target=_blank>PerMM web server</a>";;;;;;;;;-1.5;;;;;;;;;;;;"Lomize AL, Pogozheva ID.: Physics-Based Method for Modeling Passive Membrane Permeability and Translocation Pathways of Bioactive Molecules. J Chem Inf Model, Volume 59 (7), 2019";"PerMM web server"
Amiloride;MM00267;N=C(N)NC(=O)c1nc(Cl)c(N)nc1N;XSDQTOBWRPYKKA-UHFFFAOYSA-N;229.63;-1.08;16231;DB00594;AMR;CHEMBL945;LEC;CPMM;25;+1;"pH=7.4 ,<a href=https://permm.phar.umich.edu/  target=_blank>PerMM web server</a>";;;;;;;;;-13.84;;;;;;;;;;;;"Lomize AL, Pogozheva ID.: Physics-Based Method for Modeling Passive Membrane Permeability and Translocation Pathways of Bioactive Molecules. J Chem Inf Model, Volume 59 (7), 2019";"PerMM web server"
4-[(7-chloroquinolin-4-yl)amino]-2-(diethylaminomethyl)phenol;MM00446;CCN(CC)Cc1cc(Nc2ccnc3cc(Cl)ccc23)ccc1O;OVCDSSHSILBFBN-UHFFFAOYSA-N;355.87;5.18;2165;DB00613;CQA;CHEMBL682;LEC;CPMM;25;+1;"pH=7.4 ,<a href=https://permm.phar.umich.edu/  target=_blank>PerMM web server</a>";;;;;;;;;-1.55;;;;;;;;;;;;"Lomize AL, Pogozheva ID.: Physics-Based Method for Modeling Passive Membrane Permeability and Translocation Pathways of Bioactive Molecules. J Chem Inf Model, Volume 59 (7), 2019";"PerMM web server"
8-chloro-6-piperazin-1-ylbenzo[b][1,4]benzoxazepine;MM00447;Clc1ccc2c(c1)C(N1CCNCC1)=Nc1ccccc1O2;QWGDMFLQWFTERH-UHFFFAOYSA-N;313.79;3.43;2170;DB00543;;CHEMBL1113;LEC;CPMM;25;+1;"pH=7.4 ,<a href=https://permm.phar.umich.edu/  target=_blank>PerMM web server</a>";;;;;;;;;-0.41;;;;;;;;;;;;"Lomize AL, Pogozheva ID.: Physics-Based Method for Modeling Passive Membrane Permeability and Translocation Pathways of Bioactive Molecules. J Chem Inf Model, Volume 59 (7), 2019";"PerMM web server"
Atenolol;MM00078;CC(C)NCC(O)COc1ccc(CC(N)=O)cc1;METKIMKYRPQLGS-GFCCVEGCSA-N;266.34;0.45;2249;DB00335;;CHEMBL24;LEC;CPMM;25;+1;"pH=7.4 ,<a href=https://permm.phar.umich.edu/  target=_blank>PerMM web server</a>";;;;;;;;;-5.75;;;;;;;;;;;;"Lomize AL, Pogozheva ID.: Physics-Based Method for Modeling Passive Membrane Permeability and Translocation Pathways of Bioactive Molecules. J Chem Inf Model, Volume 59 (7), 2019";"PerMM web server"
3-(4-bromophenyl)-N,N-dimethyl-3-pyridin-2-ylpropan-1-amine;MM00453;CN(C)CC[C@@H](c1ccc(Br)cc1)c1ccccn1;ZDIGNSYAACHWNL-HNNXBMFYSA-N;319.25;3.93;6834;DB00835;;CHEMBL811;LEC;CPMM;25;+1;"pH=7.4 ,<a href=https://permm.phar.umich.edu/  target=_blank>PerMM web server</a>";;;;;;;;;-0.1;;;;;;;;;;;;"Lomize AL, Pogozheva ID.: Physics-Based Method for Modeling Passive Membrane Permeability and Translocation Pathways of Bioactive Molecules. J Chem Inf Model, Volume 59 (7), 2019";"PerMM web server"
N4-(7-chloro-quinolin-4-yl)-n1,n1-diethyl-pentane-1,4-diamine;MM00459;CCN(CC)CCCC(C)Nc1ccnc2cc(Cl)ccc12;WHTVZRBIWZFKQO-UHFFFAOYSA-N;319.88;4.81;2719;DB00608;CLQ;CHEMBL76;LEC;CPMM;25;+1;"pH=7.4 ,<a href=https://permm.phar.umich.edu/  target=_blank>PerMM web server</a>";;;;;;;;;-0.16;;;;;;;;;;;;"Lomize AL, Pogozheva ID.: Physics-Based Method for Modeling Passive Membrane Permeability and Translocation Pathways of Bioactive Molecules. J Chem Inf Model, Volume 59 (7), 2019";"PerMM web server"
Chlorpheniramine;MM00460;CN(C)CCC(c1ccc(Cl)cc1)c1ccccn1;SOYKEARSMXGVTM-UHFFFAOYSA-N;274.8;3.82;2725;DB01114;;CHEMBL505;LEC;CPMM;25;+1;"pH=7.4 ,<a href=https://permm.phar.umich.edu/  target=_blank>PerMM web server</a>";;;;;;;;;-0.35;;;;;;;;;;;;"Lomize AL, Pogozheva ID.: Physics-Based Method for Modeling Passive Membrane Permeability and Translocation Pathways of Bioactive Molecules. J Chem Inf Model, Volume 59 (7), 2019";"PerMM web server"
Cimetidine;MM00463;CN=C(NC#N)NCCSCc1nc[nH]c1C;AQIXAKUUQRKLND-UHFFFAOYSA-N;252.35;0.6;2756;DB00501;;CHEMBL30;LEC;CPMM;25;+1;"pH=7.4 ,<a href=https://permm.phar.umich.edu/  target=_blank>PerMM web server</a>";;;;;;;;;-3.06;;;;;;;;;;;;"Lomize AL, Pogozheva ID.: Physics-Based Method for Modeling Passive Membrane Permeability and Translocation Pathways of Bioactive Molecules. J Chem Inf Model, Volume 59 (7), 2019";"PerMM web server"
1-[3-(dimethylamino)propyl]-1-(4-fluorophenyl)-3H-2-benzofuran-5-carbonitrile;MM00465;CN(C)CCCC1(c2ccc(F)cc2)OCc2cc(C#N)ccc21;WSEQXVZVJXJVFP-UHFFFAOYSA-N;324.4;3.81;2771;DB00215;;CHEMBL549;LEC;CPMM;25;+1;"pH=7.4 ,<a href=https://permm.phar.umich.edu/  target=_blank>PerMM web server</a>";;;;;;;;;-2.8;;;;;;;;;;;;"Lomize AL, Pogozheva ID.: Physics-Based Method for Modeling Passive Membrane Permeability and Translocation Pathways of Bioactive Molecules. J Chem Inf Model, Volume 59 (7), 2019";"PerMM web server"
(2R)-2-[2-[(1R)-1-(4-chlorophenyl)-1-phenylethoxy]ethyl]-1-methylpyrrolidine;MM00466;CN1CCCC1CCOC(C)(c1ccccc1)c1ccc(Cl)cc1;YNNUSGIPVFPVBX-UHFFFAOYSA-N;343.9;5.1;26987;DB00283;;CHEMBL1626;LEC;CPMM;25;+1;"pH=7.4 ,<a href=https://permm.phar.umich.edu/  target=_blank>PerMM web server</a>";;;;;;;;;2.05;;;;;;;;;;;;"Lomize AL, Pogozheva ID.: Physics-Based Method for Modeling Passive Membrane Permeability and Translocation Pathways of Bioactive Molecules. J Chem Inf Model, Volume 59 (7), 2019";"PerMM web server"
Codeine;MM00470;COc1ccc2c3c1O[C@H]1[C@@H](O)C=C[C@H]4[C@@H](C2)N(C)CC[C@]314;OROGSEYTTFOCAN-DNJOTXNNSA-N;299.37;1.5;5284371;DB00318;;CHEMBL485;LEC;CPMM;25;+1;"pH=7.4 ,<a href=https://permm.phar.umich.edu/  target=_blank>PerMM web server</a>";;;;;;;;;-3.09;;;;;;;;;;;;"Lomize AL, Pogozheva ID.: Physics-Based Method for Modeling Passive Membrane Permeability and Translocation Pathways of Bioactive Molecules. J Chem Inf Model, Volume 59 (7), 2019";"PerMM web server"
Desipramine;MM00474;CNCCCN1c2ccccc2CCc2ccccc21;HCYAFALTSJYZDH-UHFFFAOYSA-N;266.39;3.53;2995;DB01151;DSM;CHEMBL72;LEC;CPMM;25;+1;"pH=7.4 ,<a href=https://permm.phar.umich.edu/  target=_blank>PerMM web server</a>";;;;;;;;;-0.4;;;;;;;;;;;;"Lomize AL, Pogozheva ID.: Physics-Based Method for Modeling Passive Membrane Permeability and Translocation Pathways of Bioactive Molecules. J Chem Inf Model, Volume 59 (7), 2019";"PerMM web server"
Diltiazem;MM00477;COc1ccc(C2Sc3ccccc3N(CCN(C)C)C(=O)C2OC(C)=O)cc1;HSUGRBWQSSZJOP-UHFFFAOYSA-N;414.53;3.37;39186;DB00343;;CHEMBL23;LEC;CPMM;25;+1;"pH=7.4 ,<a href=https://permm.phar.umich.edu/  target=_blank>PerMM web server</a>";;;;;;;;;-1.73;;;;;;;;;;;;"Lomize AL, Pogozheva ID.: Physics-Based Method for Modeling Passive Membrane Permeability and Translocation Pathways of Bioactive Molecules. J Chem Inf Model, Volume 59 (7), 2019";"PerMM web server"
Dipyridamole;MM00479;OCCN(CCO)c1nc(N2CCCCC2)c2nc(N(CCO)CCO)nc(N3CCCCC3)c2n1;IZEKFCXSFNUWAM-UHFFFAOYSA-N;504.64;-0.02;3108;DB00975;;CHEMBL932;LEC;CPMM;25;+1;"pH=7.4 ,<a href=https://permm.phar.umich.edu/  target=_blank>PerMM web server</a>";;;;;;;;;-7.89;;;;;;;;;;;;"Lomize AL, Pogozheva ID.: Physics-Based Method for Modeling Passive Membrane Permeability and Translocation Pathways of Bioactive Molecules. J Chem Inf Model, Volume 59 (7), 2019";"PerMM web server"
Domperidone;MM00481;O=c1[nH]c2ccccc2n1CCCN1CCC(n2c(=O)[nH]c3cc(Cl)ccc32)CC1;FGXWKSZFVQUSTL-UHFFFAOYSA-N;425.92;3.35;3151;DB01184;;CHEMBL219916;LEC;CPMM;25;+1;"pH=7.4 ,<a href=https://permm.phar.umich.edu/  target=_blank>PerMM web server</a>";;;;;;;;;-4.45;;;;;;;;;;;;"Lomize AL, Pogozheva ID.: Physics-Based Method for Modeling Passive Membrane Permeability and Translocation Pathways of Bioactive Molecules. J Chem Inf Model, Volume 59 (7), 2019";"PerMM web server"
L-dopamine;MM00483;NCCc1ccc(O)c(O)c1;VYFYYTLLBUKUHU-UHFFFAOYSA-N;153.18;0.6;681;DB00988;LDP;CHEMBL59;LEC;CPMM;25;+1;"pH=7.4 ,<a href=https://permm.phar.umich.edu/  target=_blank>PerMM web server</a>";;;;;;;;;-6.28;;;;;;;;;;;;"Lomize AL, Pogozheva ID.: Physics-Based Method for Modeling Passive Membrane Permeability and Translocation Pathways of Bioactive Molecules. J Chem Inf Model, Volume 59 (7), 2019";"PerMM web server"
Doxorubicin;MM00485;COc1cccc2c1C(=O)c1c(O)c3c(c(O)c1C2=O)CC(O)(C(=O)CO)CC3OC1CC(N)C(O)C(C)O1;AOJJSUZBOXZQNB-TZSSRYMLSA-N;543.53;;31703;DB00997;DM2;CHEMBL53463;LEC;CPMM;25;+1;"pH=7.4 ,<a href=https://permm.phar.umich.edu/  target=_blank>PerMM web server</a>";;;;;;;;;-16.34;;;;;;;;;;;;"Lomize AL, Pogozheva ID.: Physics-Based Method for Modeling Passive Membrane Permeability and Translocation Pathways of Bioactive Molecules. J Chem Inf Model, Volume 59 (7), 2019";"PerMM web server"
(1R,2S)-2-(methylamino)-1-phenylpropan-1-ol;MM00486;CN[C@@H](C)[C@H](O)c1ccccc1;KWGRBVOPPLSCSI-WPRPVWTQSA-N;165.24;1.33;9294;DB01364;;CHEMBL211456;LEC;CPMM;25;+1;"pH=7.4 ,<a href=https://permm.phar.umich.edu/  target=_blank>PerMM web server</a>";;;;;;;;;-2.43;;;;;;;;;;;;"Lomize AL, Pogozheva ID.: Physics-Based Method for Modeling Passive Membrane Permeability and Translocation Pathways of Bioactive Molecules. J Chem Inf Model, Volume 59 (7), 2019";"PerMM web server"
Erythromycin;MM00489;CCC1OC(=O)C(C)C(OC2CC(C)(OC)C(O)C(C)O2)C(C)C(OC2OC(C)CC(N(C)C)C2O)C(C)(O)CC(C)C(=O)C(C)C(O)C1(C)O;ULGZDMOVFRHVEP-UHFFFAOYSA-N;733.94;1.79;12560;DB00199;ERY;CHEMBL532;LEC;CPMM;25;+1;"pH=7.4 ,<a href=https://permm.phar.umich.edu/  target=_blank>PerMM web server</a>";;;;;;;;;-8.38;;;;;;;;;;;;"Lomize AL, Pogozheva ID.: Physics-Based Method for Modeling Passive Membrane Permeability and Translocation Pathways of Bioactive Molecules. J Chem Inf Model, Volume 59 (7), 2019";"PerMM web server"
Ethanamine;MM00491;CCN;QUSNBJAOOMFDIB-UHFFFAOYSA-N;45.09;-0.04;6341;;;;LEC;CPMM;25;+1;"pH=7.4 ,<a href=https://permm.phar.umich.edu/  target=_blank>PerMM web server</a>";;;;;;;;;-4.74;;;;;;;;;;;;"Lomize AL, Pogozheva ID.: Physics-Based Method for Modeling Passive Membrane Permeability and Translocation Pathways of Bioactive Molecules. J Chem Inf Model, Volume 59 (7), 2019";"PerMM web server"
Famotidine;MM00079;NC(N)=Nc1nc(CSCCC(N)=NS(N)(=O)=O)cs1;XUFQPHANEAPEMJ-UHFFFAOYSA-N;337.46;-0.77;5702160;DB00927;;CHEMBL902;LEC;CPMM;25;+1;"pH=7.4 ,<a href=https://permm.phar.umich.edu/  target=_blank>PerMM web server</a>";;;;;;;;;-8.87;;;;;;;;;;;;"Lomize AL, Pogozheva ID.: Physics-Based Method for Modeling Passive Membrane Permeability and Translocation Pathways of Bioactive Molecules. J Chem Inf Model, Volume 59 (7), 2019";"PerMM web server"
Fentanyl;MM00493;CCC(=O)N(c1ccccc1)C1CCN(CCc2ccccc2)CC1;PJMPHNIQZUBGLI-UHFFFAOYSA-N;336.48;4.14;3345;DB00813;7V7;CHEMBL596;LEC;CPMM;25;+1;"pH=7.4 ,<a href=https://permm.phar.umich.edu/  target=_blank>PerMM web server</a>";;;;;;;;;3.01;;;;;;;;;;;;"Lomize AL, Pogozheva ID.: Physics-Based Method for Modeling Passive Membrane Permeability and Translocation Pathways of Bioactive Molecules. J Chem Inf Model, Volume 59 (7), 2019";"PerMM web server"
Guanabenz;MM00497;NC(N)=NN=Cc1c(Cl)cccc1Cl;WDZVGELJXXEGPV-UHFFFAOYSA-N;231.09;1.81;5702063;DB00629;;CHEMBL420;LEC;CPMM;25;+1;"pH=7.4 ,<a href=https://permm.phar.umich.edu/  target=_blank>PerMM web server</a>";;;;;;;;;-4.41;;;;;;;;;;;;"Lomize AL, Pogozheva ID.: Physics-Based Method for Modeling Passive Membrane Permeability and Translocation Pathways of Bioactive Molecules. J Chem Inf Model, Volume 59 (7), 2019";"PerMM web server"
2-[2-[4-[(4-chlorophenyl)-phenylmethyl]piperazin-1-yl]ethoxy]ethanol;MM00502;OCCOCCN1CCN(C(c2ccccc2)c2ccc(Cl)cc2)CC1;ZQDWXGKKHFNSQK-UHFFFAOYSA-N;374.91;3.06;3658;DB00557;;CHEMBL896;LEC;CPMM;25;+1;"pH=7.4 ,<a href=https://permm.phar.umich.edu/  target=_blank>PerMM web server</a>";;;;;;;;;-1.13;;;;;;;;;;;;"Lomize AL, Pogozheva ID.: Physics-Based Method for Modeling Passive Membrane Permeability and Translocation Pathways of Bioactive Molecules. J Chem Inf Model, Volume 59 (7), 2019";"PerMM web server"
Imipramine;MM00504;CN(C)CCCN1c2ccccc2CCc2ccccc21;BCGWQEUPMDMJNV-UHFFFAOYSA-N;280.42;3.88;3696;DB00458;IXX;CHEMBL11;LEC;CPMM;25;+1;"pH=7.4 ,<a href=https://permm.phar.umich.edu/  target=_blank>PerMM web server</a>";;;;;;;;;0.52;;;;;;;;;;;;"Lomize AL, Pogozheva ID.: Physics-Based Method for Modeling Passive Membrane Permeability and Translocation Pathways of Bioactive Molecules. J Chem Inf Model, Volume 59 (7), 2019";"PerMM web server"
Indinavir;MM00505;CC(C)(C)NC(=O)C1CN(Cc2cccnc2)CCN1CC(O)CC(Cc1ccccc1)C(=O)NC1c2ccccc2CC1O;CBVCZFGXHXORBI-UHFFFAOYSA-N;613.8;2.87;5362440;DB00224;MK1;CHEMBL115;LEC;CPMM;25;+1;"pH=7.4 ,<a href=https://permm.phar.umich.edu/  target=_blank>PerMM web server</a>";;;;;;;;;-2.4;;;;;;;;;;;;"Lomize AL, Pogozheva ID.: Physics-Based Method for Modeling Passive Membrane Permeability and Translocation Pathways of Bioactive Molecules. J Chem Inf Model, Volume 59 (7), 2019";"PerMM web server"
Labetalol;MM00507;CC(CCc1ccccc1)NCC(O)c1ccc(O)c(C(N)=O)c1;SGUAFYQXFOLMHL-UHFFFAOYSA-N;328.41;2.14;3869;DB00598;;CHEMBL429;LEC;CPMM;25;+1;"pH=7.4 ,<a href=https://permm.phar.umich.edu/  target=_blank>PerMM web server</a>";;;;;;;;;-5.26;;;;;;;;;;;;"Lomize AL, Pogozheva ID.: Physics-Based Method for Modeling Passive Membrane Permeability and Translocation Pathways of Bioactive Molecules. J Chem Inf Model, Volume 59 (7), 2019";"PerMM web server"
Loperamide;MM00509;CN(C)C(=O)C(CCN1CCC(O)(c2ccc(Cl)cc2)CC1)(c1ccccc1)c1ccccc1;RDOIQAHITMMDAJ-UHFFFAOYSA-N;477.05;5.09;3955;DB00836;;CHEMBL841;LEC;CPMM;25;+1;"pH=7.4 ,<a href=https://permm.phar.umich.edu/  target=_blank>PerMM web server</a>";;;;;;;;;0.84;;;;;;;;;;;;"Lomize AL, Pogozheva ID.: Physics-Based Method for Modeling Passive Membrane Permeability and Translocation Pathways of Bioactive Molecules. J Chem Inf Model, Volume 59 (7), 2019";"PerMM web server"
Methylamine;MM00515;CN;BAVYZALUXZFZLV-UHFFFAOYSA-N;31.06;-0.43;6329;DB01828;NME;CHEMBL43280;LEC;CPMM;25;+1;"pH=7.4 ,<a href=https://permm.phar.umich.edu/  target=_blank>PerMM web server</a>";;;;;;;;;-5.07;;;;;;;;;;;;"Lomize AL, Pogozheva ID.: Physics-Based Method for Modeling Passive Membrane Permeability and Translocation Pathways of Bioactive Molecules. J Chem Inf Model, Volume 59 (7), 2019";"PerMM web server"
4-amino-5-chloro-N-[2-(diethylamino)ethyl]-2-methoxybenzamide;MM00517;CCN(CC)CCNC(=O)c1cc(Cl)c(N)cc1OC;TTWJBBZEZQICBI-UHFFFAOYSA-N;299.8;2;4168;DB01233;;CHEMBL86;LEC;CPMM;25;+1;"pH=7.4 ,<a href=https://permm.phar.umich.edu/  target=_blank>PerMM web server</a>";;;;;;;;;-5.61;;;;;;;;;;;;"Lomize AL, Pogozheva ID.: Physics-Based Method for Modeling Passive Membrane Permeability and Translocation Pathways of Bioactive Molecules. J Chem Inf Model, Volume 59 (7), 2019";"PerMM web server"
Metoprolol;MM00275;COCCc1ccc(OCC(O)CNC(C)C)cc1;IUBSYMUCCVWXPE-UHFFFAOYSA-N;267.37;1.61;4171;DB00264;;CHEMBL13;LEC;CPMM;25;+1;"pH=7.4 ,<a href=https://permm.phar.umich.edu/  target=_blank>PerMM web server</a>";;;;;;;;;-2.87;;;;;;;;;;;;"Lomize AL, Pogozheva ID.: Physics-Based Method for Modeling Passive Membrane Permeability and Translocation Pathways of Bioactive Molecules. J Chem Inf Model, Volume 59 (7), 2019";"PerMM web server"
Midazolam;MM00519;Cc1ncc2n1-c1ccc(Cl)cc1C(c1ccccc1F)=NC2;DDLIGBOFAVUZHB-UHFFFAOYSA-N;325.77;4.32;4192;DB00683;08J;CHEMBL655;LEC;CPMM;25;+1;"pH=7.4 ,<a href=https://permm.phar.umich.edu/  target=_blank>PerMM web server</a>";;;;;;;;;1.58;;;;;;;;;;;;"Lomize AL, Pogozheva ID.: Physics-Based Method for Modeling Passive Membrane Permeability and Translocation Pathways of Bioactive Molecules. J Chem Inf Model, Volume 59 (7), 2019";"PerMM web server"
Nadolol;MM00525;CC(C)(C)NCC(O)COc1cccc2c1CC(O)C(O)C2;VWPOSFSPZNDTMJ-UHFFFAOYSA-N;309.41;0.63;4411;DB01203;;CHEMBL521606;LEC;CPMM;25;+1;"pH=7.4 ,<a href=https://permm.phar.umich.edu/  target=_blank>PerMM web server</a>";;;;;;;;;-4.53;;;;;;;;;;;;"Lomize AL, Pogozheva ID.: Physics-Based Method for Modeling Passive Membrane Permeability and Translocation Pathways of Bioactive Molecules. J Chem Inf Model, Volume 59 (7), 2019";"PerMM web server"
Nalbuphine;MM00526;Oc1ccc2c3c1O[C@H]1[C@@H](O)CC[C@@]4(O)[C@@H](C2)N(CC2CCC2)CC[C@]314;NETZHAKZCGBWSS-CEDHKZHLSA-N;357.45;1.71;5311304;DB00844;;CHEMBL895;LEC;CPMM;25;+1;"pH=7.4 ,<a href=https://permm.phar.umich.edu/  target=_blank>PerMM web server</a>";;;;;;;;;-4.95;;;;;;;;;;;;"Lomize AL, Pogozheva ID.: Physics-Based Method for Modeling Passive Membrane Permeability and Translocation Pathways of Bioactive Molecules. J Chem Inf Model, Volume 59 (7), 2019";"PerMM web server"
Oxycodone;MM00533;COc1ccc2c3c1OC1C(=O)CCC4(O)C(C2)N(C)CCC314;BRUQQQPBMZOVGD-XFKAJCMBSA-N;315.37;1.05;5284603;DB00497;;CHEMBL656;LEC;CPMM;25;+1;"pH=7.4 ,<a href=https://permm.phar.umich.edu/  target=_blank>PerMM web server</a>";;;;;;;;;-5.86;;;;;;;;;;;;"Lomize AL, Pogozheva ID.: Physics-Based Method for Modeling Passive Membrane Permeability and Translocation Pathways of Bioactive Molecules. J Chem Inf Model, Volume 59 (7), 2019";"PerMM web server"
Pindolol;MM00542;CC(C)NCC(O)COc1cccc2[nH]ccc12;JZQKKSLKJUAGIC-UHFFFAOYSA-N;248.33;1.91;4828;DB00960;;CHEMBL500;LEC;CPMM;25;+1;"pH=7.4 ,<a href=https://permm.phar.umich.edu/  target=_blank>PerMM web server</a>";;;;;;;;;-2.96;;;;;;;;;;;;"Lomize AL, Pogozheva ID.: Physics-Based Method for Modeling Passive Membrane Permeability and Translocation Pathways of Bioactive Molecules. J Chem Inf Model, Volume 59 (7), 2019";"PerMM web server"
11-[2-(4-methylpiperazin-1-yl)acetyl]-5H-pyrido[2,3-b][1,4]benzodiazepin-6-one;MM00543;CN1CCN(CC(=O)N2c3ccccc3C(=O)Nc3cccnc32)CC1;RMHMFHUVIITRHF-UHFFFAOYSA-N;351.41;1.56;4848;DB00670;;CHEMBL9967;LEC;CPMM;25;+1;"pH=7.4 ,<a href=https://permm.phar.umich.edu/  target=_blank>PerMM web server</a>";;;;;;;;;-5.64;;;;;;;;;;;;"Lomize AL, Pogozheva ID.: Physics-Based Method for Modeling Passive Membrane Permeability and Translocation Pathways of Bioactive Molecules. J Chem Inf Model, Volume 59 (7), 2019";"PerMM web server"
Practolol;MM00544;CC(=O)Nc1ccc(OCC(O)CNC(C)C)cc1;DURULFYMVIFBIR-UHFFFAOYSA-N;266.34;1.38;4883;DB01297;;CHEMBL6995;LEC;CPMM;25;+1;"pH=7.4 ,<a href=https://permm.phar.umich.edu/  target=_blank>PerMM web server</a>";;;;;;;;;-3.33;;;;;;;;;;;;"Lomize AL, Pogozheva ID.: Physics-Based Method for Modeling Passive Membrane Permeability and Translocation Pathways of Bioactive Molecules. J Chem Inf Model, Volume 59 (7), 2019";"PerMM web server"
Propranolol;MM00085;CC(C)NCC(O)COc1cccc2ccccc12;AQHHHDLHHXJYJD-UHFFFAOYSA-N;259.35;2.58;4946;DB00571;;CHEMBL27;LEC;CPMM;25;+1;"pH=7.4 ,<a href=https://permm.phar.umich.edu/  target=_blank>PerMM web server</a>";;;;;;;;;-0.84;;;;;;;;;;;;"Lomize AL, Pogozheva ID.: Physics-Based Method for Modeling Passive Membrane Permeability and Translocation Pathways of Bioactive Molecules. J Chem Inf Model, Volume 59 (7), 2019";"PerMM web server"
N'-[(4-methoxyphenyl)methyl]-N,N-dimethyl-N'-pyridin-2-ylethane-1,2-diamine;MM00512;COc1ccc(CN(CCN(C)C)c2ccccn2)cc1;YECBIJXISLIIDS-UHFFFAOYSA-N;285.39;2.66;4992;DB06691;;CHEMBL511;LEC;CPMM;25;+1;"pH=7.4 ,<a href=https://permm.phar.umich.edu/  target=_blank>PerMM web server</a>";;;;;;;;;-1.19;;;;;;;;;;;;"Lomize AL, Pogozheva ID.: Physics-Based Method for Modeling Passive Membrane Permeability and Translocation Pathways of Bioactive Molecules. J Chem Inf Model, Volume 59 (7), 2019";"PerMM web server"
Quinidine;MM00558;C=C[C@H]1CN2CC[C@H]1C[C@@H]2[C@@H](O)c1ccnc2ccc(OC)cc12;LOUPRKONTZGTKE-LHHVKLHASA-N;324.42;3.17;441074;DB00908;QDN;CHEMBL1294;LEC;CPMM;25;+1;"pH=7.4 ,<a href=https://permm.phar.umich.edu/  target=_blank>PerMM web server</a>";;;;;;;;;-2.17;;;;;;;;;;;;"Lomize AL, Pogozheva ID.: Physics-Based Method for Modeling Passive Membrane Permeability and Translocation Pathways of Bioactive Molecules. J Chem Inf Model, Volume 59 (7), 2019";"PerMM web server"
Quinine;MM00559;C=C[C@H]1CN2CC[C@H]1C[C@H]2[C@H](O)c1ccnc2ccc(OC)cc12;LOUPRKONTZGTKE-WZBLMQSHSA-N;324.42;3.17;3034034;DB00468;QI9;CHEMBL170;LEC;CPMM;25;+1;"pH=7.4 ,<a href=https://permm.phar.umich.edu/  target=_blank>PerMM web server</a>";;;;;;;;;-2.17;;;;;;;;;;;;"Lomize AL, Pogozheva ID.: Physics-Based Method for Modeling Passive Membrane Permeability and Translocation Pathways of Bioactive Molecules. J Chem Inf Model, Volume 59 (7), 2019";"PerMM web server"
N,N-dimethyl-2-[5-(1,2,4-triazol-1-ylmethyl)-1H-indol-3-yl]ethanamine;MM00562;CN(C)CCc1c[nH]c2ccc(Cn3cncn3)cc12;ULFRLSNUDGIQQP-UHFFFAOYSA-N;269.35;1.91;5078;DB00953;;CHEMBL905;LEC;CPMM;25;+1;"pH=7.4 ,<a href=https://permm.phar.umich.edu/  target=_blank>PerMM web server</a>";;;;;;;;;-4.25;;;;;;;;;;;;"Lomize AL, Pogozheva ID.: Physics-Based Method for Modeling Passive Membrane Permeability and Translocation Pathways of Bioactive Molecules. J Chem Inf Model, Volume 59 (7), 2019";"PerMM web server"
Sotalol;MM00567;CC(C)NCC(O)c1ccc(NS(C)(=O)=O)cc1;ZBMZVLHSJCTVON-UHFFFAOYSA-N;272.37;1.09;5253;DB00489;;CHEMBL471;LEC;CPMM;25;+1;"pH=7.4 ,<a href=https://permm.phar.umich.edu/  target=_blank>PerMM web server</a>";;;;;;;;;-4.83;;;;;;;;;;;;"Lomize AL, Pogozheva ID.: Physics-Based Method for Modeling Passive Membrane Permeability and Translocation Pathways of Bioactive Molecules. J Chem Inf Model, Volume 59 (7), 2019";"PerMM web server"
Sulpiride;MM00568;CCN1CCCC1CNC(=O)c1cc(S(N)(=O)=O)ccc1OC;BGRJTUBHPOOWDU-UHFFFAOYSA-N;341.43;0.56;5355;DB00391;;CHEMBL26;LEC;CPMM;25;+1;"pH=7.4 ,<a href=https://permm.phar.umich.edu/  target=_blank>PerMM web server</a>";;;;;;;;;-7.95;;;;;;;;;;;;"Lomize AL, Pogozheva ID.: Physics-Based Method for Modeling Passive Membrane Permeability and Translocation Pathways of Bioactive Molecules. J Chem Inf Model, Volume 59 (7), 2019";"PerMM web server"
1-[3-[2-(dimethylamino)ethyl]-1H-indol-5-yl]-N-methylmethanesulfonamide;MM00569;CNS(=O)(=O)Cc1ccc2[nH]cc(CCN(C)C)c2c1;KQKPFRSPSRPDEB-UHFFFAOYSA-N;295.41;1.32;5358;DB00669;;CHEMBL128;LEC;CPMM;25;+1;"pH=7.4 ,<a href=https://permm.phar.umich.edu/  target=_blank>PerMM web server</a>";;;;;;;;;-6.52;;;;;;;;;;;;"Lomize AL, Pogozheva ID.: Physics-Based Method for Modeling Passive Membrane Permeability and Translocation Pathways of Bioactive Molecules. J Chem Inf Model, Volume 59 (7), 2019";"PerMM web server"
5-[2-(tert-butylamino)-1-hydroxyethyl]benzene-1,3-diol;MM00306;CC(C)(C)NCC(O)c1cc(O)cc(O)c1;XWTYSIMOBUGWOL-UHFFFAOYSA-N;225.29;1.52;5403;DB00871;;CHEMBL1760;LEC;CPMM;25;+1;"pH=7.4 ,<a href=https://permm.phar.umich.edu/  target=_blank>PerMM web server</a>";;;;;;;;;-6.33;;;;;;;;;;;;"Lomize AL, Pogozheva ID.: Physics-Based Method for Modeling Passive Membrane Permeability and Translocation Pathways of Bioactive Molecules. J Chem Inf Model, Volume 59 (7), 2019";"PerMM web server"
Terfenadine;MM00571;CC(C)(C)c1ccc(C(O)CCCN2CCC(C(O)(c3ccccc3)c3ccccc3)CC2)cc1;GUGOEEXESWIERI-UHFFFAOYSA-N;471.69;6.45;5405;DB00342;;CHEMBL17157;LEC;CPMM;25;+1;"pH=7.4 ,<a href=https://permm.phar.umich.edu/  target=_blank>PerMM web server</a>";;;;;;;;;1.56;;;;;;;;;;;;"Lomize AL, Pogozheva ID.: Physics-Based Method for Modeling Passive Membrane Permeability and Translocation Pathways of Bioactive Molecules. J Chem Inf Model, Volume 59 (7), 2019";"PerMM web server"
Topotecan;MM00575;CCC1(O)C(=O)OCc2c1cc1n(c2=O)Cc2cc3c(CN(C)C)c(O)ccc3nc2-1;UCFGDBYHRUNTLO-UHFFFAOYSA-N;421.45;1.85;60700;DB01030;TTC;CHEMBL84;LEC;CPMM;25;+1;"pH=7.4 ,<a href=https://permm.phar.umich.edu/  target=_blank>PerMM web server</a>";;;;;;;;;-9.81;;;;;;;;;;;;"Lomize AL, Pogozheva ID.: Physics-Based Method for Modeling Passive Membrane Permeability and Translocation Pathways of Bioactive Molecules. J Chem Inf Model, Volume 59 (7), 2019";"PerMM web server"
Trimethoprim;MM00581;COc1cc(Cc2cnc(N)nc2N)cc(OC)c1OC;IEDVJHCEMCRBQM-UHFFFAOYSA-N;290.32;1.26;5578;DB00440;TOP;CHEMBL22;LEC;CPMM;25;+1;"pH=7.4 ,<a href=https://permm.phar.umich.edu/  target=_blank>PerMM web server</a>";;;;;;;;;-7.26;;;;;;;;;;;;"Lomize AL, Pogozheva ID.: Physics-Based Method for Modeling Passive Membrane Permeability and Translocation Pathways of Bioactive Molecules. J Chem Inf Model, Volume 59 (7), 2019";"PerMM web server"
1-[2-(dimethylamino)-1-(4-methoxyphenyl)ethyl]cyclohexan-1-ol;MM00584;COc1ccc(C(CN(C)C)C2(O)CCCCC2)cc1;PNVNVHUZROJLTJ-UHFFFAOYSA-N;277.41;3.04;5656;DB00285;;CHEMBL637;LEC;CPMM;25;+1;"pH=7.4 ,<a href=https://permm.phar.umich.edu/  target=_blank>PerMM web server</a>";;;;;;;;;-2.42;;;;;;;;;;;;"Lomize AL, Pogozheva ID.: Physics-Based Method for Modeling Passive Membrane Permeability and Translocation Pathways of Bioactive Molecules. J Chem Inf Model, Volume 59 (7), 2019";"PerMM web server"
Verapamil;MM00585;COc1ccc(CCN(C)CCCC(C#N)(c2ccc(OC)c(OC)c2)C(C)C)cc1OC;SGTNSNPWRIOYBX-UHFFFAOYSA-N;454.61;5.09;2520;DB00661;;CHEMBL6966;LEC;CPMM;25;+1;"pH=7.4 ,<a href=https://permm.phar.umich.edu/  target=_blank>PerMM web server</a>";;;;;;;;;-2.8;;;;;;;;;;;;"Lomize AL, Pogozheva ID.: Physics-Based Method for Modeling Passive Membrane Permeability and Translocation Pathways of Bioactive Molecules. J Chem Inf Model, Volume 59 (7), 2019";"PerMM web server"
5-[2-[4-(1,2-benzothiazol-3-yl)piperazin-1-yl]ethyl]-6-chloro-1,3-dihydroindol-2-one;MM00589;O=C1Cc2cc(CCN3CCN(c4nsc5ccccc45)CC3)c(Cl)cc2N1;MVWVFYHBGMAFLY-UHFFFAOYSA-N;412.95;3.81;60854;DB00246;;CHEMBL708;LEC;CPMM;25;+1;"pH=7.4 ,<a href=https://permm.phar.umich.edu/  target=_blank>PerMM web server</a>";;;;;;;;;-1.68;;;;;;;;;;;;"Lomize AL, Pogozheva ID.: Physics-Based Method for Modeling Passive Membrane Permeability and Translocation Pathways of Bioactive Molecules. J Chem Inf Model, Volume 59 (7), 2019";"PerMM web server"
(4S)-4-[[3-[2-(dimethylamino)ethyl]-1H-indol-5-yl]methyl]-1,3-oxazolidin-2-one;MM00590;CN(C)CCc1c[nH]c2ccc(CC3COC(=O)N3)cc12;ULSDMUVEXKOYBU-UHFFFAOYSA-N;287.36;1.92;60857;DB00315;;CHEMBL1185;LEC;CPMM;25;+1;"pH=7.4 ,<a href=https://permm.phar.umich.edu/  target=_blank>PerMM web server</a>";;;;;;;;;-6.92;;;;;;;;;;;;"Lomize AL, Pogozheva ID.: Physics-Based Method for Modeling Passive Membrane Permeability and Translocation Pathways of Bioactive Molecules. J Chem Inf Model, Volume 59 (7), 2019";"PerMM web server"
Alfentanil;MM00439;CCC(=O)N(c1ccccc1)C1(COC)CCN(CCn2nnn(CC)c2=O)CC1;IDBPHNDTYPBSNI-UHFFFAOYSA-N;416.53;1.38;51263;DB00802;;CHEMBL634;LEC;CPMM;25;+1;"pH=7.4 ,<a href=https://permm.phar.umich.edu/  target=_blank>PerMM web server</a>";;;;;;;;;-1.52;;;;;;;;;;;;"Lomize AL, Pogozheva ID.: Physics-Based Method for Modeling Passive Membrane Permeability and Translocation Pathways of Bioactive Molecules. J Chem Inf Model, Volume 59 (7), 2019";"PerMM web server"
Amitriptyline;MM00444;CN(C)CCC=C1c2ccccc2CCc2ccccc21;KRMDCWKBEZIMAB-UHFFFAOYSA-N;277.41;4.17;2160;DB00321;TP0;CHEMBL629;LEC;CPMM;25;+1;"pH=7.4 ,<a href=https://permm.phar.umich.edu/  target=_blank>PerMM web server</a>";;;;;;;;;2.18;;;;;;;;;;;;"Lomize AL, Pogozheva ID.: Physics-Based Method for Modeling Passive Membrane Permeability and Translocation Pathways of Bioactive Molecules. J Chem Inf Model, Volume 59 (7), 2019";"PerMM web server"
Amlodipine;MM00098;CCOC(=O)C1=C(COCCN)NC(C)=C(C(=O)OC)[C@H]1c1ccccc1Cl;HTIQEAQVCYTUBX-QGZVFWFLSA-N;408.88;2.27;2162;DB00381;;CHEMBL1491;LEC;CPMM;25;+1;"pH=7.4 ,<a href=https://permm.phar.umich.edu/  target=_blank>PerMM web server</a>";;;;;;;;;-6.04;;;;;;;;;;;;"Lomize AL, Pogozheva ID.: Physics-Based Method for Modeling Passive Membrane Permeability and Translocation Pathways of Bioactive Molecules. J Chem Inf Model, Volume 59 (7), 2019";"PerMM web server"
Atomoxetine;MM00449;CNCCC(Oc1ccccc1C)c1ccccc1;VHGCDTVCOLNTBX-QGZVFWFLSA-N;255.36;3.72;54841;DB00289;;CHEMBL641;LEC;CPMM;25;+1;"pH=7.4 ,<a href=https://permm.phar.umich.edu/  target=_blank>PerMM web server</a>";;;;;;;;;0.6;;;;;;;;;;;;"Lomize AL, Pogozheva ID.: Physics-Based Method for Modeling Passive Membrane Permeability and Translocation Pathways of Bioactive Molecules. J Chem Inf Model, Volume 59 (7), 2019";"PerMM web server"
"1-isobutoxy-2-pyrrolidino-3[n-benzylanilino] propane";MM00451;CC(C)COC[C@@H](CN(Cc1ccccc1)c1ccccc1)N1CCCC1;UIEATEWHFDRYRU-XMMPIXPASA-N;366.55;4.83;2351;DB01244;BEP;CHEMBL1008;LEC;CPMM;25;+1;"pH=7.4 ,<a href=https://permm.phar.umich.edu/  target=_blank>PerMM web server</a>";;;;;;;;;2.7;;;;;;;;;;;;"Lomize AL, Pogozheva ID.: Physics-Based Method for Modeling Passive Membrane Permeability and Translocation Pathways of Bioactive Molecules. J Chem Inf Model, Volume 59 (7), 2019";"PerMM web server"
1-butyl-N-(2,6-dimethylphenyl)piperidine-2-carboxamide;MM00454;CCCCN1CCCC[C@H]1C(=O)Nc1c(C)cccc1C;LEBVLXFERQHONN-INIZCTEOSA-N;288.44;3.9;2474;DB00297;;CHEMBL1098;LEC;CPMM;25;+1;"pH=7.4 ,<a href=https://permm.phar.umich.edu/  target=_blank>PerMM web server</a>";;;;;;;;;2.06;;;;;;;;;;;;"Lomize AL, Pogozheva ID.: Physics-Based Method for Modeling Passive Membrane Permeability and Translocation Pathways of Bioactive Molecules. J Chem Inf Model, Volume 59 (7), 2019";"PerMM web server"
Bupropion;MM00455;CC(NC(C)(C)C)C(=O)c1cccc(Cl)c1;SNPPWIUOZRMYNY-VIFPVBQESA-N;239.75;3.3;444;DB01156;;CHEMBL894;LEC;CPMM;25;+1;"pH=7.4 ,<a href=https://permm.phar.umich.edu/  target=_blank>PerMM web server</a>";;;;;;;;;1.07;;;;;;;;;;;;"Lomize AL, Pogozheva ID.: Physics-Based Method for Modeling Passive Membrane Permeability and Translocation Pathways of Bioactive Molecules. J Chem Inf Model, Volume 59 (7), 2019";"PerMM web server"
8-[4-(4-pyrimidin-2-ylpiperazin-1-yl)butyl]-8-azaspiro[4.5]decane-7,9-dione;MM00456;O=C1CC2(CCCC2)CC(=O)N1CCCCN1CCN(c2ncccn2)CC1;QWCRAEMEVRGPNT-UHFFFAOYSA-N;385.51;2.09;2477;DB00490;;CHEMBL49;LEC;CPMM;25;+1;"pH=7.4 ,<a href=https://permm.phar.umich.edu/  target=_blank>PerMM web server</a>";;;;;;;;;-1.32;;;;;;;;;;;;"Lomize AL, Pogozheva ID.: Physics-Based Method for Modeling Passive Membrane Permeability and Translocation Pathways of Bioactive Molecules. J Chem Inf Model, Volume 59 (7), 2019";"PerMM web server"
1-Butylamine;MM00435;CCCCN;HQABUPZFAYXKJW-UHFFFAOYSA-N;73.14;0.75;8007;DB03659;LYT;CHEMBL13968;LEC;CPMM;25;+1;"pH=7.4 ,<a href=https://permm.phar.umich.edu/  target=_blank>PerMM web server</a>";;;;;;;;;-3.82;;;;;;;;;;;;"Lomize AL, Pogozheva ID.: Physics-Based Method for Modeling Passive Membrane Permeability and Translocation Pathways of Bioactive Molecules. J Chem Inf Model, Volume 59 (7), 2019";"PerMM web server"
1-(9H-carbazol-4-yloxy)-3-[2-(2-methoxyphenoxy)ethylamino]propan-2-ol;MM00458;COc1ccccc1OCCNCC(O)COc1cccc2[nH]c3ccccc3c12;OGHNVEJMJSYVRP-UHFFFAOYSA-N;406.48;3.74;2585;DB01136;;CHEMBL723;LEC;CPMM;25;+1;"pH=7.4 ,<a href=https://permm.phar.umich.edu/  target=_blank>PerMM web server</a>";;;;;;;;;-2.64;;;;;;;;;;;;"Lomize AL, Pogozheva ID.: Physics-Based Method for Modeling Passive Membrane Permeability and Translocation Pathways of Bioactive Molecules. J Chem Inf Model, Volume 59 (7), 2019";"PerMM web server"
1-benzhydryl-4-[(E)-3-phenylprop-2-enyl]piperazine;MM00464;C(=Cc1ccccc1)CN1CCN(C(c2ccccc2)c2ccccc2)CC1;DERZBLKQOCDDDZ-UHFFFAOYSA-N;368.52;5.11;1547484;DB00568;;CHEMBL43064;LEC;CPMM;25;+1;"pH=7.4 ,<a href=https://permm.phar.umich.edu/  target=_blank>PerMM web server</a>";;;;;;;;;4.84;;;;;;;;;;;;"Lomize AL, Pogozheva ID.: Physics-Based Method for Modeling Passive Membrane Permeability and Translocation Pathways of Bioactive Molecules. J Chem Inf Model, Volume 59 (7), 2019";"PerMM web server"
1-[(2-chlorophenyl)-diphenylmethyl]imidazole;MM00468;Clc1ccccc1C(c1ccccc1)(c1ccccc1)n1ccnc1;VNFPBHJOKIVQEB-UHFFFAOYSA-N;344.85;5.38;2812;DB00257;CL6;CHEMBL104;LEC;CPMM;25;+1;"pH=7.4 ,<a href=https://permm.phar.umich.edu/  target=_blank>PerMM web server</a>";;;;;;;;;4.13;;;;;;;;;;;;"Lomize AL, Pogozheva ID.: Physics-Based Method for Modeling Passive Membrane Permeability and Translocation Pathways of Bioactive Molecules. J Chem Inf Model, Volume 59 (7), 2019";"PerMM web server"
4-(dibenzo[1,2-a:2',1'-d][7]annulen-11-ylidene)-1-methyl-piperidine;MM00472;CN1CCC(=C2c3ccccc3C=Cc3ccccc32)CC1;JJCFRYNCJDLXIK-UHFFFAOYSA-N;287.41;4.7;2913;DB00434;C7H;CHEMBL516;LEC;CPMM;25;+1;"pH=7.4 ,<a href=https://permm.phar.umich.edu/  target=_blank>PerMM web server</a>";;;;;;;;;3.2;;;;;;;;;;;;"Lomize AL, Pogozheva ID.: Physics-Based Method for Modeling Passive Membrane Permeability and Translocation Pathways of Bioactive Molecules. J Chem Inf Model, Volume 59 (7), 2019";"PerMM web server"
Donepezil;MM00482;COc1cc2c(cc1OC)C(=O)C(CC1CCN(Cc3ccccc3)CC1)C2;ADEBPBSSDYVVLD-UHFFFAOYSA-N;379.5;4.36;3152;DB00843;;CHEMBL502;LEC;CPMM;25;+1;"pH=7.4 ,<a href=https://permm.phar.umich.edu/  target=_blank>PerMM web server</a>";;;;;;;;;-1.22;;;;;;;;;;;;"Lomize AL, Pogozheva ID.: Physics-Based Method for Modeling Passive Membrane Permeability and Translocation Pathways of Bioactive Molecules. J Chem Inf Model, Volume 59 (7), 2019";"PerMM web server"
L-epinephrine;MM00644;CNCC(O)c1ccc(O)c(O)c1;UCTWMZQNUQWSLP-UHFFFAOYSA-N;183.21;0.35;5816;DB00668;ALE;CHEMBL679;LEC;CPMM;25;+1;"pH=7.4 ,<a href=https://permm.phar.umich.edu/  target=_blank>PerMM web server</a>";;;;;;;;;-8.13;;;;;;;;;;;;"Lomize AL, Pogozheva ID.: Physics-Based Method for Modeling Passive Membrane Permeability and Translocation Pathways of Bioactive Molecules. J Chem Inf Model, Volume 59 (7), 2019";"PerMM web server"
Ergonovine;MM00487;CC(CO)NC(=O)C1C=C2c3cccc4[nH]cc(c34)CC2N(C)C1;WVVSZNPYNCNODU-UHFFFAOYSA-N;325.41;1.53;443884;DB01253;;CHEMBL119443;LEC;CPMM;25;+1;"pH=7.4 ,<a href=https://permm.phar.umich.edu/  target=_blank>PerMM web server</a>";;;;;;;;;-3.56;;;;;;;;;;;;"Lomize AL, Pogozheva ID.: Physics-Based Method for Modeling Passive Membrane Permeability and Translocation Pathways of Bioactive Molecules. J Chem Inf Model, Volume 59 (7), 2019";"PerMM web server"
Ergotamine;MM00488;CN1C[C@H](C(=O)N[C@]2(C)O[C@@]3(O)[C@@H]4CCCN4C(=O)[C@H](Cc4ccccc4)N3C2=O)C=C2c3cccc4[nH]cc(c34)C[C@H]21;XCGSFFUVFURLIX-VFGNJEKYSA-N;581.67;1.99;8223;DB00696;ERM;CHEMBL442;LEC;CPMM;25;+1;"pH=7.4 ,<a href=https://permm.phar.umich.edu/  target=_blank>PerMM web server</a>";;;;;;;;;-3.91;;;;;;;;;;;;"Lomize AL, Pogozheva ID.: Physics-Based Method for Modeling Passive Membrane Permeability and Translocation Pathways of Bioactive Molecules. J Chem Inf Model, Volume 59 (7), 2019";"PerMM web server"
Ethanolamine;MM00490;NCCO;HZAXFHJVJLSVMW-UHFFFAOYSA-N;61.08;-1.06;700;DB03994;ETA;CHEMBL104943;LEC;CPMM;25;+1;"pH=7.4 ,<a href=https://permm.phar.umich.edu/  target=_blank>PerMM web server</a>";;;;;;;;;-6.74;;;;;;;;;;;;"Lomize AL, Pogozheva ID.: Physics-Based Method for Modeling Passive Membrane Permeability and Translocation Pathways of Bioactive Molecules. J Chem Inf Model, Volume 59 (7), 2019";"PerMM web server"
2-[4-[3-[2-(trifluoromethyl)phenothiazin-10-yl]propyl]piperazin-1-yl]ethanol;MM00494;OCCN1CCN(CCCN2c3ccccc3Sc3ccc(C(F)(F)F)cc32)CC1;PLDUPXSUYLZYBN-UHFFFAOYSA-N;437.53;4.31;3372;DB00623;;CHEMBL726;LEC;CPMM;25;+1;"pH=7.4 ,<a href=https://permm.phar.umich.edu/  target=_blank>PerMM web server</a>";;;;;;;;;-2.11;;;;;;;;;;;;"Lomize AL, Pogozheva ID.: Physics-Based Method for Modeling Passive Membrane Permeability and Translocation Pathways of Bioactive Molecules. J Chem Inf Model, Volume 59 (7), 2019";"PerMM web server"
Fluvoxamine;MM00495;COCCCCC(=NOCCN)c1ccc(C(F)(F)F)cc1;CJOFXWAVKWHTFT-UHFFFAOYSA-N;318.34;3.2;5324346;DB00176;FVX;CHEMBL814;LEC;CPMM;25;+1;"pH=7.4 ,<a href=https://permm.phar.umich.edu/  target=_blank>PerMM web server</a>";;;;;;;;;-3.71;;;;;;;;;;;;"Lomize AL, Pogozheva ID.: Physics-Based Method for Modeling Passive Membrane Permeability and Translocation Pathways of Bioactive Molecules. J Chem Inf Model, Volume 59 (7), 2019";"PerMM web server"
Galantamine;MM00496;COc1ccc2c3c1OC1CC(O)C=CC31CCN(C)C2;ASUTZQLVASHGKV-UHFFFAOYSA-N;287.36;1.85;9651;DB00674;GNT;CHEMBL659;LEC;CPMM;25;+1;"pH=7.4 ,<a href=https://permm.phar.umich.edu/  target=_blank>PerMM web server</a>";;;;;;;;;-2.93;;;;;;;;;;;;"Lomize AL, Pogozheva ID.: Physics-Based Method for Modeling Passive Membrane Permeability and Translocation Pathways of Bioactive Molecules. J Chem Inf Model, Volume 59 (7), 2019";"PerMM web server"
Guanidine;MM00498;N=C(N)N;ZRALSGWEFCBTJO-UHFFFAOYSA-N;59.07;-1.16;3520;DB00536;GAI;CHEMBL821;LEC;CPMM;25;+1;"pH=7.4 ,<a href=https://permm.phar.umich.edu/  target=_blank>PerMM web server</a>";;;;;;;;;-11.69;;;;;;;;;;;;"Lomize AL, Pogozheva ID.: Physics-Based Method for Modeling Passive Membrane Permeability and Translocation Pathways of Bioactive Molecules. J Chem Inf Model, Volume 59 (7), 2019";"PerMM web server"
Haloperidol;MM00499;O=C(CCCN1CCC(O)(c2ccc(Cl)cc2)CC1)c1ccc(F)cc1;LNEPOXFFQSENCJ-UHFFFAOYSA-N;375.87;4.43;3559;DB00502;;CHEMBL54;LEC;CPMM;25;+1;"pH=7.4 ,<a href=https://permm.phar.umich.edu/  target=_blank>PerMM web server</a>";;;;;;;;;0.14;;;;;;;;;;;;"Lomize AL, Pogozheva ID.: Physics-Based Method for Modeling Passive Membrane Permeability and Translocation Pathways of Bioactive Molecules. J Chem Inf Model, Volume 59 (7), 2019";"PerMM web server"
Histamine;MM00500;NCCc1cnc[nH]1;NTYJJOPFIAHURM-UHFFFAOYSA-N;111.15;-0.09;774;DB05381;HSM;CHEMBL90;LEC;CPMM;25;+1;"pH=7.4 ,<a href=https://permm.phar.umich.edu/  target=_blank>PerMM web server</a>";;;;;;;;;-5.44;;;;;;;;;;;;"Lomize AL, Pogozheva ID.: Physics-Based Method for Modeling Passive Membrane Permeability and Translocation Pathways of Bioactive Molecules. J Chem Inf Model, Volume 59 (7), 2019";"PerMM web server"
1-hydrazinophthalazine;MM00501;NNc1nncc2ccccc12;RPTUSVTUFVMDQK-UHFFFAOYSA-N;160.18;0.92;3637;DB01275;HLZ;CHEMBL276832;LEC;CPMM;25;+1;"pH=7.4 ,<a href=https://permm.phar.umich.edu/  target=_blank>PerMM web server</a>";;;;;;;;;1.6;;;;;;;;;;;;"Lomize AL, Pogozheva ID.: Physics-Based Method for Modeling Passive Membrane Permeability and Translocation Pathways of Bioactive Molecules. J Chem Inf Model, Volume 59 (7), 2019";"PerMM web server"
Imatinib;MM00503;Cc1ccc(NC(=O)c2ccc(CN3CCN(C)CC3)cc2)cc1Nc1nccc(-c2cccnc2)n1;KTUFNOKKBVMGRW-UHFFFAOYSA-N;493.62;4.59;5291;DB00619;STI;CHEMBL941;LEC;CPMM;25;+1;"pH=7.4 ,<a href=https://permm.phar.umich.edu/  target=_blank>PerMM web server</a>";;;;;;;;;-2.45;;;;;;;;;;;;"Lomize AL, Pogozheva ID.: Physics-Based Method for Modeling Passive Membrane Permeability and Translocation Pathways of Bioactive Molecules. J Chem Inf Model, Volume 59 (7), 2019";"PerMM web server"
10-[2-(1-methylpiperidin-2-yl)ethyl]-2-methylsulfinylphenothiazine;MM00513;CN1CCCCC1CCN1c2ccccc2Sc2ccc(S(C)=O)cc21;SLVMESMUVMCQIY-UHFFFAOYSA-N;386.59;4.9;4078;DB00933;;CHEMBL1088;LEC;CPMM;25;+1;"pH=7.4 ,<a href=https://permm.phar.umich.edu/  target=_blank>PerMM web server</a>";;;;;;;;;-2.98;;;;;;;;;;;;"Lomize AL, Pogozheva ID.: Physics-Based Method for Modeling Passive Membrane Permeability and Translocation Pathways of Bioactive Molecules. J Chem Inf Model, Volume 59 (7), 2019";"PerMM web server"
Metipranolol;MM00516;CC(=O)Oc1c(C)cc(OCC(O)CNC(C)C)c(C)c1C;BQIPXWYNLPYNHW-UHFFFAOYSA-N;309.41;2.27;31477;DB01214;;CHEMBL1291;LEC;CPMM;25;+1;"pH=7.4 ,<a href=https://permm.phar.umich.edu/  target=_blank>PerMM web server</a>";;;;;;;;;-2.54;;;;;;;;;;;;"Lomize AL, Pogozheva ID.: Physics-Based Method for Modeling Passive Membrane Permeability and Translocation Pathways of Bioactive Molecules. J Chem Inf Model, Volume 59 (7), 2019";"PerMM web server"
1-(2,6-dimethylphenoxy)propan-2-amine;MM00518;Cc1cccc(C)c1OCC(C)N;VLPIATFUUWWMKC-UHFFFAOYSA-N;179.26;2.03;4178;DB00379;;CHEMBL558;LEC;CPMM;25;+1;"pH=7.4 ,<a href=https://permm.phar.umich.edu/  target=_blank>PerMM web server</a>";;;;;;;;;-0.67;;;;;;;;;;;;"Lomize AL, Pogozheva ID.: Physics-Based Method for Modeling Passive Membrane Permeability and Translocation Pathways of Bioactive Molecules. J Chem Inf Model, Volume 59 (7), 2019";"PerMM web server"
1-[2-(2,4-dichlorophenyl)-2-[(2,4-dichlorophenyl)methoxy]ethyl]imidazole;MM00088;Clc1ccc(COC(Cn2ccnc2)c2ccc(Cl)cc2Cl)c(Cl)c1;BYBLEWFAAKGYCD-UHFFFAOYSA-N;416.14;6.45;4189;DB01110;;CHEMBL91;LEC;CPMM;25;+1;"pH=7.4 ,<a href=https://permm.phar.umich.edu/  target=_blank>PerMM web server</a>";;;;;;;;;1.34;;;;;;;;;;;;"Lomize AL, Pogozheva ID.: Physics-Based Method for Modeling Passive Membrane Permeability and Translocation Pathways of Bioactive Molecules. J Chem Inf Model, Volume 59 (7), 2019";"PerMM web server"
Nicardipine;MM00278;COC(=O)C1=C(C)NC(C)=C(C(=O)OCCN(C)Cc2ccccc2)C1c1cccc([N+](=O)[O-])c1;ZBBHBTPTTSWHBA-UHFFFAOYSA-N;479.53;3.68;4474;DB00622;;CHEMBL1484;LEC;CPMM;25;+1;"pH=7.4 ,<a href=https://permm.phar.umich.edu/  target=_blank>PerMM web server</a>";;;;;;;;;-1.38;;;;;;;;;;;;"Lomize AL, Pogozheva ID.: Physics-Based Method for Modeling Passive Membrane Permeability and Translocation Pathways of Bioactive Molecules. J Chem Inf Model, Volume 59 (7), 2019";"PerMM web server"
Noscapine;MM00530;COc1ccc2c(c1OC)C(=O)OC2C1c2c(cc3c(c2OC)OCO3)CCN1C;AKNNEGZIBPJZJG-UHFFFAOYSA-N;413.43;2.88;275196;DB06174;;CHEMBL364713;LEC;CPMM;25;+1;"pH=7.4 ,<a href=https://permm.phar.umich.edu/  target=_blank>PerMM web server</a>";;;;;;;;;-5.23;;;;;;;;;;;;"Lomize AL, Pogozheva ID.: Physics-Based Method for Modeling Passive Membrane Permeability and Translocation Pathways of Bioactive Molecules. J Chem Inf Model, Volume 59 (7), 2019";"PerMM web server"
Ondansetron;MM00531;Cc1nccn1CC1CCc2c(c3ccccc3n2C)C1=O;FELGMEQIXOGIFQ-UHFFFAOYSA-N;293.37;3.13;4595;DB00904;;CHEMBL46;LEC;CPMM;25;+1;"pH=7.4 ,<a href=https://permm.phar.umich.edu/  target=_blank>PerMM web server</a>";;;;;;;;;0.76;;;;;;;;;;;;"Lomize AL, Pogozheva ID.: Physics-Based Method for Modeling Passive Membrane Permeability and Translocation Pathways of Bioactive Molecules. J Chem Inf Model, Volume 59 (7), 2019";"PerMM web server"
N,N-dimethyl-2-[(2-methylphenyl)-phenylmethoxy]ethanamine;MM00532;Cc1ccccc1C(OCCN(C)C)c1ccccc1;QVYRGXJJSLMXQH-UHFFFAOYSA-N;269.39;3.66;4601;DB01173;;CHEMBL900;LEC;CPMM;25;+1;"pH=7.4 ,<a href=https://permm.phar.umich.edu/  target=_blank>PerMM web server</a>";;;;;;;;;1.3;;;;;;;;;;;;"Lomize AL, Pogozheva ID.: Physics-Based Method for Modeling Passive Membrane Permeability and Translocation Pathways of Bioactive Molecules. J Chem Inf Model, Volume 59 (7), 2019";"PerMM web server"
Oxprenolol;MM00289;C=CCOc1ccccc1OCC(O)CNC(C)C;CEMAWMOMDPGJMB-UHFFFAOYSA-N;265.35;1.99;4631;DB01580;;CHEMBL546;LEC;CPMM;25;+1;"pH=7.4 ,<a href=https://permm.phar.umich.edu/  target=_blank>PerMM web server</a>";;;;;;;;;-2.71;;;;;;;;;;;;"Lomize AL, Pogozheva ID.: Physics-Based Method for Modeling Passive Membrane Permeability and Translocation Pathways of Bioactive Molecules. J Chem Inf Model, Volume 59 (7), 2019";"PerMM web server"
1-(3,4-dimethoxybenzyl)-6,7-dimethoxyisoquinoline;MM00534;COc1ccc(Cc2nccc3cc(OC)c(OC)cc23)cc1OC;XQYZDYMELSJDRZ-UHFFFAOYSA-N;339.39;3.86;4680;DB01113;EV1;CHEMBL19224;LEC;CPMM;25;+1;"pH=7.4 ,<a href=https://permm.phar.umich.edu/  target=_blank>PerMM web server</a>";;;;;;;;;-1.84;;;;;;;;;;;;"Lomize AL, Pogozheva ID.: Physics-Based Method for Modeling Passive Membrane Permeability and Translocation Pathways of Bioactive Molecules. J Chem Inf Model, Volume 59 (7), 2019";"PerMM web server"
(2S)-1-(tert-butylamino)-3-(2-cyclopentylphenoxy)propan-2-ol;MM00535;CC(C)(C)NC[C@H](O)COc1ccccc1C1CCCC1;KQXKVJAGOJTNJS-HNNXBMFYSA-N;291.44;3.47;37464;DB01359;;CHEMBL1290;LEC;CPMM;25;+1;"pH=7.4 ,<a href=https://permm.phar.umich.edu/  target=_blank>PerMM web server</a>";;;;;;;;;-0.54;;;;;;;;;;;;"Lomize AL, Pogozheva ID.: Physics-Based Method for Modeling Passive Membrane Permeability and Translocation Pathways of Bioactive Molecules. J Chem Inf Model, Volume 59 (7), 2019";"PerMM web server"
Pergolide;MM00538;CCCN1C[C@H](CSC)C[C@@H]2c3cccc4[nH]cc(c34)C[C@H]21;YEHCICAEULNIGD-MZMPZRCHSA-N;314.5;4.27;47811;DB01186;;CHEMBL531;LEC;CPMM;25;+1;"pH=7.4 ,<a href=https://permm.phar.umich.edu/  target=_blank>PerMM web server</a>";;;;;;;;;0.24;;;;;;;;;;;;"Lomize AL, Pogozheva ID.: Physics-Based Method for Modeling Passive Membrane Permeability and Translocation Pathways of Bioactive Molecules. J Chem Inf Model, Volume 59 (7), 2019";"PerMM web server"
2-[4-[3-(2-chlorophenothiazin-10-yl)propyl]piperazin-1-yl]ethanol;MM00539;OCCN1CCN(CCCN2c3ccccc3Sc3ccc(Cl)cc32)CC1;RGCVKNLCSQQDEP-UHFFFAOYSA-N;403.98;3.94;4748;DB00850;;CHEMBL567;LEC;CPMM;25;+1;"pH=7.4 ,<a href=https://permm.phar.umich.edu/  target=_blank>PerMM web server</a>";;;;;;;;;-2.07;;;;;;;;;;;;"Lomize AL, Pogozheva ID.: Physics-Based Method for Modeling Passive Membrane Permeability and Translocation Pathways of Bioactive Molecules. J Chem Inf Model, Volume 59 (7), 2019";"PerMM web server"
(3S,4R)-3-ethyl-4-[(3-methylimidazol-4-yl)methyl]oxolan-2-one;MM00541;CC[C@@H]1C(=O)OC[C@@H]1Cc1cncn1C;QCHFTSOMWOSFHM-WPRPVWTQSA-N;208.26;1.16;5910;DB01085;9PL;CHEMBL550;LEC;CPMM;25;+1;"pH=7.4 ,<a href=https://permm.phar.umich.edu/  target=_blank>PerMM web server</a>";;;;;;;;;-0.68;;;;;;;;;;;;"Lomize AL, Pogozheva ID.: Physics-Based Method for Modeling Passive Membrane Permeability and Translocation Pathways of Bioactive Molecules. J Chem Inf Model, Volume 59 (7), 2019";"PerMM web server"
(6S)-6-N-propyl-4,5,6,7-tetrahydro-1,3-benzothiazole-2,6-diamine;MM00545;CCCNC1CCc2nc(N)sc2C1;FASDKYOPVNHBLU-UHFFFAOYSA-N;211.33;1.58;119570;DB00413;;CHEMBL301265;LEC;CPMM;25;+1;"pH=7.4 ,<a href=https://permm.phar.umich.edu/  target=_blank>PerMM web server</a>";;;;;;;;;-4.5;;;;;;;;;;;;"Lomize AL, Pogozheva ID.: Physics-Based Method for Modeling Passive Membrane Permeability and Translocation Pathways of Bioactive Molecules. J Chem Inf Model, Volume 59 (7), 2019";"PerMM web server"
4-N-(6-methoxyquinolin-8-yl)pentane-1,4-diamine;MM00548;COc1cc(NC(C)CCCN)c2ncccc2c1;INDBQLZJXZLFIT-UHFFFAOYSA-N;259.35;2.78;4908;DB01087;;CHEMBL506;LEC;CPMM;25;+1;"pH=7.4 ,<a href=https://permm.phar.umich.edu/  target=_blank>PerMM web server</a>";;;;;;;;;-5.14;;;;;;;;;;;;"Lomize AL, Pogozheva ID.: Physics-Based Method for Modeling Passive Membrane Permeability and Translocation Pathways of Bioactive Molecules. J Chem Inf Model, Volume 59 (7), 2019";"PerMM web server"
"2-(diethylamino)ethyl 4-aminobenzoate";MM00204;CCN(CC)CCOC(=O)c1ccc(N)cc1;MFDFERRIHVXMIY-UHFFFAOYSA-N;236.32;1.77;4914;DB00721;;CHEMBL569;LEC;CPMM;25;+1;"pH=7.4 ,<a href=https://permm.phar.umich.edu/  target=_blank>PerMM web server</a>";;;;;;;;;-2.53;;;;;;;;;;;;"Lomize AL, Pogozheva ID.: Physics-Based Method for Modeling Passive Membrane Permeability and Translocation Pathways of Bioactive Molecules. J Chem Inf Model, Volume 59 (7), 2019";"PerMM web server"
1-cyclohexyl-1-phenyl-3-pyrrolidin-1-ylpropan-1-ol;MM00549;OC(CCN1CCCC1)(c1ccccc1)C1CCCCC1;WYDUSKDSKCASEF-UHFFFAOYSA-N;287.45;3.94;4919;DB00387;;CHEMBL86715;LEC;CPMM;25;+1;"pH=7.4 ,<a href=https://permm.phar.umich.edu/  target=_blank>PerMM web server</a>";;;;;;;;;0.93;;;;;;;;;;;;"Lomize AL, Pogozheva ID.: Physics-Based Method for Modeling Passive Membrane Permeability and Translocation Pathways of Bioactive Molecules. J Chem Inf Model, Volume 59 (7), 2019";"PerMM web server"
1-[2-[2-hydroxy-3-(propylamino)propoxy]phenyl]-3-phenylpropan-1-one;MM00551;CCCNCC(O)COc1ccccc1C(=O)CCc1ccccc1;JWHAUXFOSRPERK-UHFFFAOYSA-N;341.45;3.24;4932;DB01182;;CHEMBL631;LEC;CPMM;25;+1;"pH=7.4 ,<a href=https://permm.phar.umich.edu/  target=_blank>PerMM web server</a>";;;;;;;;;-2.4;;;;;;;;;;;;"Lomize AL, Pogozheva ID.: Physics-Based Method for Modeling Passive Membrane Permeability and Translocation Pathways of Bioactive Molecules. J Chem Inf Model, Volume 59 (7), 2019";"PerMM web server"
1-Propylamine;MM00436;CCCN;WGYKZJWCGVVSQN-UHFFFAOYSA-N;59.11;0.36;7852;;;;LEC;CPMM;25;+1;"pH=7.4 ,<a href=https://permm.phar.umich.edu/  target=_blank>PerMM web server</a>";;;;;;;;;-4.07;;;;;;;;;;;;"Lomize AL, Pogozheva ID.: Physics-Based Method for Modeling Passive Membrane Permeability and Translocation Pathways of Bioactive Molecules. J Chem Inf Model, Volume 59 (7), 2019";"PerMM web server"
Pyridoxine;MM00555;Cc1ncc(CO)c(CO)c1O;LXNHXLLTXMVWPM-UHFFFAOYSA-N;169.18;0.08;1054;DB00165;UEG;CHEMBL1364;LEC;CPMM;25;+1;"pH=7.4 ,<a href=https://permm.phar.umich.edu/  target=_blank>PerMM web server</a>";;;;;;;;;-6.21;;;;;;;;;;;;"Lomize AL, Pogozheva ID.: Physics-Based Method for Modeling Passive Membrane Permeability and Translocation Pathways of Bioactive Molecules. J Chem Inf Model, Volume 59 (7), 2019";"PerMM web server"
5-(4-chlorophenyl)-6-ethylpyrimidine-2,4-diamine;MM00556;CCc1nc(N)nc(N)c1-c1ccc(Cl)cc1;WKSAUQYGYAYLPV-UHFFFAOYSA-N;248.72;2.52;4993;DB00205;CP6;CHEMBL36;LEC;CPMM;25;+1;"pH=7.4 ,<a href=https://permm.phar.umich.edu/  target=_blank>PerMM web server</a>";;;;;;;;;-2.8;;;;;;;;;;;;"Lomize AL, Pogozheva ID.: Physics-Based Method for Modeling Passive Membrane Permeability and Translocation Pathways of Bioactive Molecules. J Chem Inf Model, Volume 59 (7), 2019";"PerMM web server"
2-[2-(4-benzo[b][1,4]benzothiazepin-6-ylpiperazin-1-yl)ethoxy]ethanol;MM00557;OCCOCCN1CCN(C2=Nc3ccccc3Sc3ccccc32)CC1;URKOMYMAXPYINW-UHFFFAOYSA-N;383.52;2.86;5002;DB01224;;CHEMBL716;LEC;CPMM;25;+1;"pH=7.4 ,<a href=https://permm.phar.umich.edu/  target=_blank>PerMM web server</a>";;;;;;;;;-1.93;;;;;;;;;;;;"Lomize AL, Pogozheva ID.: Physics-Based Method for Modeling Passive Membrane Permeability and Translocation Pathways of Bioactive Molecules. J Chem Inf Model, Volume 59 (7), 2019";"PerMM web server"
1-(1-adamantyl)ethanamine;MM00560;CC(N)C12CC3CC(CC(C3)C1)C2;UBCHPRBFMUDMNC-UHFFFAOYSA-N;179.31;2.55;5071;DB00478;;CHEMBL959;LEC;CPMM;25;+1;"pH=7.4 ,<a href=https://permm.phar.umich.edu/  target=_blank>PerMM web server</a>";;;;;;;;;-0.65;;;;;;;;;;;;"Lomize AL, Pogozheva ID.: Physics-Based Method for Modeling Passive Membrane Permeability and Translocation Pathways of Bioactive Molecules. J Chem Inf Model, Volume 59 (7), 2019";"PerMM web server"
Risperidone;MM00561;Cc1nc2n(c(=O)c1CCN1CCC(c3noc4cc(F)ccc34)CC1)CCCC2;RAPZEAPATHNIPO-UHFFFAOYSA-N;410.49;3.59;5073;DB00734;8NU;CHEMBL85;LEC;CPMM;25;+1;"pH=7.4 ,<a href=https://permm.phar.umich.edu/  target=_blank>PerMM web server</a>";;;;;;;;;0.01;;;;;;;;;;;;"Lomize AL, Pogozheva ID.: Physics-Based Method for Modeling Passive Membrane Permeability and Translocation Pathways of Bioactive Molecules. J Chem Inf Model, Volume 59 (7), 2019";"PerMM web server"
Tacrine;MM00305;Nc1c2c(nc3ccccc13)CCCC2;YLJREFDVOIBQDA-UHFFFAOYSA-N;198.27;2.7;1935;DB00382;THA;CHEMBL95;LEC;CPMM;25;+1;"pH=7.4 ,<a href=https://permm.phar.umich.edu/  target=_blank>PerMM web server</a>";;;;;;;;;-0.91;;;;;;;;;;;;"Lomize AL, Pogozheva ID.: Physics-Based Method for Modeling Passive Membrane Permeability and Translocation Pathways of Bioactive Molecules. J Chem Inf Model, Volume 59 (7), 2019";"PerMM web server"
Tamoxifen;MM00570;CCC(=C(c1ccccc1)c1ccc(OCCN(C)C)cc1)c1ccccc1;NKANXQFJJICGDU-UHFFFAOYSA-N;371.52;6;2733526;DB00675;CTX;CHEMBL83;LEC;CPMM;25;+1;"pH=7.4 ,<a href=https://permm.phar.umich.edu/  target=_blank>PerMM web server</a>";;;;;;;;;3.32;;;;;;;;;;;;"Lomize AL, Pogozheva ID.: Physics-Based Method for Modeling Passive Membrane Permeability and Translocation Pathways of Bioactive Molecules. J Chem Inf Model, Volume 59 (7), 2019";"PerMM web server"
10-[2-(1-methylpiperidin-2-yl)ethyl]-2-methylsulfanylphenothiazine;MM00572;CSc1ccc2c(c1)N(CCC1CCCCN1C)c1ccccc1S2;KLBQZWRITKRQQV-UHFFFAOYSA-N;370.59;5.89;5452;DB00679;;CHEMBL479;LEC;CPMM;25;+1;"pH=7.4 ,<a href=https://permm.phar.umich.edu/  target=_blank>PerMM web server</a>";;;;;;;;;-0.05;;;;;;;;;;;;"Lomize AL, Pogozheva ID.: Physics-Based Method for Modeling Passive Membrane Permeability and Translocation Pathways of Bioactive Molecules. J Chem Inf Model, Volume 59 (7), 2019";"PerMM web server"
(9Z)-N,N-dimethyl-9-[3-(4-methylpiperazin-1-yl)propylidene]thioxanthene-2-sulfonamide;MM00693;CN1CCN(CC/C=C2/c3ccccc3Sc3ccc(S(=O)(=O)N(C)C)cc32)CC1;GFBKORZTTCHDGY-UWVJOHFNSA-N;443.64;3.47;941651;DB01623;;CHEMBL1201;LEC;CPMM;25;+1;"pH=7.4 ,<a href=https://permm.phar.umich.edu/  target=_blank>PerMM web server</a>";;;;;;;;;-3.33;;;;;;;;;;;;"Lomize AL, Pogozheva ID.: Physics-Based Method for Modeling Passive Membrane Permeability and Translocation Pathways of Bioactive Molecules. J Chem Inf Model, Volume 59 (7), 2019";"PerMM web server"
2-[3-[4-(3-chlorophenyl)piperazin-1-yl]propyl]-[1,2,4]triazolo[4,3-a]pyridin-3-one;MM00576;O=c1n(CCCN2CCN(c3cccc(Cl)c3)CC2)nc2ccccn12;PHLBKPHSAVXXEF-UHFFFAOYSA-N;371.87;2.36;5533;DB00656;;CHEMBL621;LEC;CPMM;25;+1;"pH=7.4 ,<a href=https://permm.phar.umich.edu/  target=_blank>PerMM web server</a>";;;;;;;;;-0.97;;;;;;;;;;;;"Lomize AL, Pogozheva ID.: Physics-Based Method for Modeling Passive Membrane Permeability and Translocation Pathways of Bioactive Molecules. J Chem Inf Model, Volume 59 (7), 2019";"PerMM web server"
6-phenylpteridine-2,4,7-triamine;MM00577;Nc1nc(N)c2nc(-c3ccccc3)c(N)nc2n1;FNYLWPVRPXGIIP-UHFFFAOYSA-N;253.27;0.83;5546;DB00384;DX2;CHEMBL585;LEC;CPMM;25;+1;"pH=7.4 ,<a href=https://permm.phar.umich.edu/  target=_blank>PerMM web server</a>";;;;;;;;;-8.22;;;;;;;;;;;;"Lomize AL, Pogozheva ID.: Physics-Based Method for Modeling Passive Membrane Permeability and Translocation Pathways of Bioactive Molecules. J Chem Inf Model, Volume 59 (7), 2019";"PerMM web server"
N,N-dimethyl-3-[2-(trifluoromethyl)phenothiazin-10-yl]propan-1-amine;MM00579;CN(C)CCCN1c2ccccc2Sc2ccc(C(F)(F)F)cc21;XSCGXQMFQXDFCW-UHFFFAOYSA-N;352.43;5.26;5568;DB00508;;CHEMBL570;LEC;CPMM;25;+1;"pH=7.4 ,<a href=https://permm.phar.umich.edu/  target=_blank>PerMM web server</a>";;;;;;;;;-0.98;;;;;;;;;;;;"Lomize AL, Pogozheva ID.: Physics-Based Method for Modeling Passive Membrane Permeability and Translocation Pathways of Bioactive Molecules. J Chem Inf Model, Volume 59 (7), 2019";"PerMM web server"
1-cyclohexyl-1-phenyl-3-piperidin-1-ylpropan-1-ol;MM00580;OC(CCN1CCCCC1)(c1ccccc1)C1CCCCC1;HWHLPVGTWGOCJO-UHFFFAOYSA-N;301.47;4.33;5572;DB00376;;CHEMBL1490;LEC;CPMM;25;+1;"pH=7.4 ,<a href=https://permm.phar.umich.edu/  target=_blank>PerMM web server</a>";;;;;;;;;1.46;;;;;;;;;;;;"Lomize AL, Pogozheva ID.: Physics-Based Method for Modeling Passive Membrane Permeability and Translocation Pathways of Bioactive Molecules. J Chem Inf Model, Volume 59 (7), 2019";"PerMM web server"
Tryptamine;MM00582;NCCc1c[nH]c2ccccc12;APJYDQYYACXCRM-UHFFFAOYSA-N;160.22;1.67;1150;DB08653;TSS;CHEMBL6640;LEC;CPMM;25;+1;"pH=7.4 ,<a href=https://permm.phar.umich.edu/  target=_blank>PerMM web server</a>";;;;;;;;;-3.97;;;;;;;;;;;;"Lomize AL, Pogozheva ID.: Physics-Based Method for Modeling Passive Membrane Permeability and Translocation Pathways of Bioactive Molecules. J Chem Inf Model, Volume 59 (7), 2019";"PerMM web server"
N,N-dimethyl-2-[6-methyl-2-(4-methylphenyl)imidazo[1,2-a]pyridin-3-yl]acetamide;MM00591;Cc1ccc(-c2nc3ccc(C)cn3c2CC(=O)N(C)C)cc1;ZAFYATHCZYHLPB-UHFFFAOYSA-N;307.4;3.25;5732;DB00425;;CHEMBL911;LEC;CPMM;25;+1;"pH=7.4 ,<a href=https://permm.phar.umich.edu/  target=_blank>PerMM web server</a>";;;;;;;;;1.26;;;;;;;;;;;;"Lomize AL, Pogozheva ID.: Physics-Based Method for Modeling Passive Membrane Permeability and Translocation Pathways of Bioactive Molecules. J Chem Inf Model, Volume 59 (7), 2019";"PerMM web server"
Daunorubicin;MM00473;COc1cccc2c1C(=O)c1c(O)c3c(c(O)c1C2=O)CC(O)(C(C)=O)CC3OC1CC(N)C(O)C(C)O1;STQGQHZAVUOBTE-UHFFFAOYSA-N;527.53;1.03;30323;DB00694;DM1;CHEMBL178;LEC;CPMM;25;+1;"pH=7.4 ,<a href=https://permm.phar.umich.edu/  target=_blank>PerMM web server</a>";;;;;;;;;-14.51;;;;;;;;;;;;"Lomize AL, Pogozheva ID.: Physics-Based Method for Modeling Passive Membrane Permeability and Translocation Pathways of Bioactive Molecules. J Chem Inf Model, Volume 59 (7), 2019";"PerMM web server"
Pumafentrine;MM00554;CCOc1cc2c(cc1OC)C(c1ccc(C(=O)N(C(C)C)C(C)C)cc1)=N[C@@H]1CCN(C)C[C@H]21;CVDXFPBVOIERBH-JWQCQUIFSA-N;477.65;4.99;3052763;;;;LEC;CPMM;25;+1;"pH=7.4 ,<a href=https://permm.phar.umich.edu/  target=_blank>PerMM web server</a>";;;;;;;;;0.23;;;;;;;;;;;;"Lomize AL, Pogozheva ID.: Physics-Based Method for Modeling Passive Membrane Permeability and Translocation Pathways of Bioactive Molecules. J Chem Inf Model, Volume 59 (7), 2019";"PerMM web server"
Tolafentrine;MM00574;COc1cc2c(cc1OC)[C@@H]1CN(C)CC[C@@H]1N=C2c1ccc(NS(=O)(=O)c2ccc(C)cc2)cc1;FVZJIAUYFDQQKJ-DQEYMECFSA-N;505.64;4.45;65990;;;;LEC;CPMM;25;+1;"pH=7.4 ,<a href=https://permm.phar.umich.edu/  target=_blank>PerMM web server</a>";;;;;;;;;-3.02;;;;;;;;;;;;"Lomize AL, Pogozheva ID.: Physics-Based Method for Modeling Passive Membrane Permeability and Translocation Pathways of Bioactive Molecules. J Chem Inf Model, Volume 59 (7), 2019";"PerMM web server"
N-methyl-2-phenyl-N-[(5R,7S,8S)-7-pyrrolidin-1-yl-1-oxaspiro[4.5]decan-8-yl]acetamide;MM00583;CN(C(=O)Cc1ccccc1)[C@H]1CC[C@@]2(CCCO2)C[C@@H]1N1CCCC1;PGZRDDYTKFZSFR-ONTIZHBOSA-N;356.51;3.25;105104;;;;LEC;CPMM;25;+1;"pH=7.4 ,<a href=https://permm.phar.umich.edu/  target=_blank>PerMM web server</a>";;;;;;;;;2.37;;;;;;;;;;;;"Lomize AL, Pogozheva ID.: Physics-Based Method for Modeling Passive Membrane Permeability and Translocation Pathways of Bioactive Molecules. J Chem Inf Model, Volume 59 (7), 2019";"PerMM web server"
4-Phenylbutylamine;MM00096;NCCCCc1ccccc1;AGNFWIZBEATIAK-UHFFFAOYSA-N;149.24;1.97;83242;DB04311;PBN;CHEMBL79512;LEC;CPMM;25;+1;"pH=7.4 ,<a href=https://permm.phar.umich.edu/  target=_blank>PerMM web server</a>";;;;;;;;;-1.84;;;;;;;;;;;;"Lomize AL, Pogozheva ID.: Physics-Based Method for Modeling Passive Membrane Permeability and Translocation Pathways of Bioactive Molecules. J Chem Inf Model, Volume 59 (7), 2019";"PerMM web server"
Aminoguanidine;MM00442;NN=C(N)N;HAMNKKUPIHEESI-UHFFFAOYSA-N;74.09;-1.87;2146;DB05383;AGU;CHEMBL225304;LEC;CPMM;25;+1;"pH=7.4 ,<a href=https://permm.phar.umich.edu/  target=_blank>PerMM web server</a>";;;;;;;;;-8.11;;;;;;;;;;;;"Lomize AL, Pogozheva ID.: Physics-Based Method for Modeling Passive Membrane Permeability and Translocation Pathways of Bioactive Molecules. J Chem Inf Model, Volume 59 (7), 2019";"PerMM web server"
"3-(dibutylamino)propyl 4-aminobenzoate";MM00457;CCCCN(CCCC)CCCOC(=O)c1ccc(N)cc1;HQFWVSGBVLEQGA-UHFFFAOYSA-N;306.45;3.72;2480;;;;LEC;CPMM;25;+1;"pH=7.4 ,<a href=https://permm.phar.umich.edu/  target=_blank>PerMM web server</a>";;;;;;;;;1.82;;;;;;;;;;;;"Lomize AL, Pogozheva ID.: Physics-Based Method for Modeling Passive Membrane Permeability and Translocation Pathways of Bioactive Molecules. J Chem Inf Model, Volume 59 (7), 2019";"PerMM web server"
CP-141938;MM00471;COc1ccc(N(C)S(C)(=O)=O)cc1CNC1CCCNC1c1ccccc1;GZLOIBNBDUHEFY-UHFFFAOYSA-N;403.55;2.67;10363809;;;;LEC;CPMM;25;+1;"pH=7.4 ,<a href=https://permm.phar.umich.edu/  target=_blank>PerMM web server</a>";;;;;;;;;-1.91;;;;;;;;;;;;"Lomize AL, Pogozheva ID.: Physics-Based Method for Modeling Passive Membrane Permeability and Translocation Pathways of Bioactive Molecules. J Chem Inf Model, Volume 59 (7), 2019";"PerMM web server"
3,3-diphenyl-N-(1-phenylethyl)propan-1-amine;MM00492;CC(NCCC(c1ccccc1)c1ccccc1)c1ccccc1;NMKSAYKQLCHXDK-UHFFFAOYSA-N;315.46;5.56;3336;DB08980;;CHEMBL254832;LEC;CPMM;25;+1;"pH=7.4 ,<a href=https://permm.phar.umich.edu/  target=_blank>PerMM web server</a>";;;;;;;;;3.64;;;;;;;;;;;;"Lomize AL, Pogozheva ID.: Physics-Based Method for Modeling Passive Membrane Permeability and Translocation Pathways of Bioactive Molecules. J Chem Inf Model, Volume 59 (7), 2019";"PerMM web server"
1-methoxy-3-(2-nitroimidazol-1-yl)propan-2-ol;MM00521;COCC(O)Cn1ccnc1[N+](=O)[O-];OBBCSXFCDPPXOL-UHFFFAOYSA-N;201.18;-0.2;26105;DB11716;;CHEMBL42161;LEC;CPMM;25;+1;"pH=7.4 ,<a href=https://permm.phar.umich.edu/  target=_blank>PerMM web server</a>";;;;;;;;;-6.13;;;;;;;;;;;;"Lomize AL, Pogozheva ID.: Physics-Based Method for Modeling Passive Membrane Permeability and Translocation Pathways of Bioactive Molecules. J Chem Inf Model, Volume 59 (7), 2019";"PerMM web server"
Naltrindole;MM00527;Oc1ccc2c3c1O[C@H]1c4[nH]c5ccccc5c4C[C@@]4(O)[C@@H](C2)N(CC2CC2)CC[C@]314;WIYUZYBFCWCCQJ-IFKAHUTRSA-N;414.51;3.57;5497186;;;;LEC;CPMM;25;+1;"pH=7.4 ,<a href=https://permm.phar.umich.edu/  target=_blank>PerMM web server</a>";;;;;;;;;-2.35;;;;;;;;;;;;"Lomize AL, Pogozheva ID.: Physics-Based Method for Modeling Passive Membrane Permeability and Translocation Pathways of Bioactive Molecules. J Chem Inf Model, Volume 59 (7), 2019";"PerMM web server"
Amylamine;MM00537;CCCCCN;DPBLXKKOBLCELK-UHFFFAOYSA-N;87.17;1.14;8060;DB02045;AML;;LEC;CPMM;25;+1;"pH=7.4 ,<a href=https://permm.phar.umich.edu/  target=_blank>PerMM web server</a>";;;;;;;;;-3.14;;;;;;;;;;;;"Lomize AL, Pogozheva ID.: Physics-Based Method for Modeling Passive Membrane Permeability and Translocation Pathways of Bioactive Molecules. J Chem Inf Model, Volume 59 (7), 2019";"PerMM web server"
Ammonia;MM00445;N;QGZKDVFQNNGYKY-UHFFFAOYSA-N;17.03;0.16;222;DB11118;;;LEC;CPMM;25;+1;"pH=7.4 ,<a href=https://permm.phar.umich.edu/  target=_blank>PerMM web server</a>";;;;;;;;;-3.51;;;;;;;;;;;;"Lomize AL, Pogozheva ID.: Physics-Based Method for Modeling Passive Membrane Permeability and Translocation Pathways of Bioactive Molecules. J Chem Inf Model, Volume 59 (7), 2019";"PerMM web server"
Lincomycin;MM00508;CCCC1CC(C(=O)NC(C(C)O)C2OC(SC)C(O)C(O)C2O)N(C)C1;OJMMVQQUTAEWLP-KIDUDLJLSA-N;406.55;-0.86;3000540;DB01627;3QB;CHEMBL1447;LEC;CPMM;25;+1;"pH=7.4 ,<a href=https://permm.phar.umich.edu/  target=_blank>PerMM web server</a>";;;;;;;;;-9.56;;;;;;;;;;;;"Lomize AL, Pogozheva ID.: Physics-Based Method for Modeling Passive Membrane Permeability and Translocation Pathways of Bioactive Molecules. J Chem Inf Model, Volume 59 (7), 2019";"PerMM web server"
Ranitidine;MM01053;CNC(=C[N+](=O)[O-])NCCSCc1ccc(CN(C)C)o1;VMXUWOKSQNHOCA-UHFFFAOYSA-N;314.41;1.46;5039;;;;LEC;CPMM;25;+1;"pH=7.4 ,<a href=https://permm.phar.umich.edu/  target=_blank>PerMM web server</a>";;;;;;;;;-1.71;;;;;;;;;;;;"Lomize AL, Pogozheva ID.: Physics-Based Method for Modeling Passive Membrane Permeability and Translocation Pathways of Bioactive Molecules. J Chem Inf Model, Volume 59 (7), 2019";"PerMM web server"
Saquinavir;MM00563;CC(C)(C)NC(=O)C1CC2CCCCC2CN1CC(O)C(Cc1ccccc1)NC(=O)C(CC(N)=O)NC(=O)c1ccc2ccccc2n1;QWAXKHKRTORLEM-UHFFFAOYSA-N;670.86;3.09;441243;DB01232;ROC;CHEMBL114;LEC;CPMM;25;+1;"pH=7.4 ,<a href=https://permm.phar.umich.edu/  target=_blank>PerMM web server</a>";;;;;;;;;-5.78;;;;;;;;;;;;"Lomize AL, Pogozheva ID.: Physics-Based Method for Modeling Passive Membrane Permeability and Translocation Pathways of Bioactive Molecules. J Chem Inf Model, Volume 59 (7), 2019";"PerMM web server"
Scopolamine;MM00564;CN1[C@H]2CC(OC(=O)[C@H](CO)c3ccccc3)C[C@@H]1[C@H]1O[C@@H]21;STECJAGHUSJQJN-USLFZFAMSA-N;303.36;0.92;3000322;DB00747;;CHEMBL569713;LEC;CPMM;25;+1;"pH=7.4 ,<a href=https://permm.phar.umich.edu/  target=_blank>PerMM web server</a>";;;;;;;;;-2.53;;;;;;;;;;;;"Lomize AL, Pogozheva ID.: Physics-Based Method for Modeling Passive Membrane Permeability and Translocation Pathways of Bioactive Molecules. J Chem Inf Model, Volume 59 (7), 2019";"PerMM web server"
Ketoconazole;MM00506;CC(=O)N1CCN(c2ccc(OCC3COC(Cn4ccnc4)(c4ccc(Cl)cc4Cl)O3)cc2)CC1;XMAYWYJOQHXEEK-UHFFFAOYSA-N;531.44;4.21;3823;DB01026;KTN;CHEMBL157101;LEC;CPMM;25;+1;"pH=7.4 ,<a href=https://permm.phar.umich.edu/  target=_blank>PerMM web server</a>";;;;;;;;;-1.86;;;;;;;;;;;;"Lomize AL, Pogozheva ID.: Physics-Based Method for Modeling Passive Membrane Permeability and Translocation Pathways of Bioactive Molecules. J Chem Inf Model, Volume 59 (7), 2019";"PerMM web server"
1,4-dihydroxy-5,8-bis[2-(2-hydroxyethylamino)ethylamino]anthracene-9,10-dione;MM00522;O=C1c2c(O)ccc(O)c2C(=O)c2c(NCCNCCO)ccc(NCCNCCO)c21;KKZJGLLVHKMTCM-UHFFFAOYSA-N;444.49;-0.14;4212;DB01204;MIX;CHEMBL58;LEC;CPMM;25;+2;"pH=7.4 ,<a href=https://permm.phar.umich.edu/  target=_blank>PerMM web server</a>";;;;;;;;;-16.57;;;;;;;;;;;;"Lomize AL, Pogozheva ID.: Physics-Based Method for Modeling Passive Membrane Permeability and Translocation Pathways of Bioactive Molecules. J Chem Inf Model, Volume 59 (7), 2019";"PerMM web server"
Vincristine;MM00587;CCC1(O)CC2CN(CCc3c([nH]c4ccccc34)C(C(=O)OC)(c3cc4c(cc3OC)N(C=O)C3C(O)(C(=O)OC)C(OC(C)=O)C5(CC)C=CCN6CCC43C65)C2)C1;OGWKCGZFUXNPDA-UHFFFAOYSA-N;824.97;3.52;5978;DB00541;;CHEMBL90555;LEC;CPMM;25;+2;"pH=7.4 ,<a href=https://permm.phar.umich.edu/  target=_blank>PerMM web server</a>";;;;;;;;;-4.89;;;;;;;;;;;;"Lomize AL, Pogozheva ID.: Physics-Based Method for Modeling Passive Membrane Permeability and Translocation Pathways of Bioactive Molecules. J Chem Inf Model, Volume 59 (7), 2019";"PerMM web server"
Vinblastine;MM00586;CCC1(O)CC2CN(CCc3c([nH]c4ccccc34)C(C(=O)OC)(c3cc4c(cc3OC)N(C)C3C(O)(C(=O)OC)C(OC(C)=O)C5(CC)C=CCN6CCC43C65)C2)C1;JXLYSJRDGCGARV-UHFFFAOYSA-N;810.99;3.99;241903;DB00570;VLB;CHEMBL22969;LEC;CPMM;25;+2;"pH=7.4 ,<a href=https://permm.phar.umich.edu/  target=_blank>PerMM web server</a>";;;;;;;;;-3.52;;;;;;;;;;;;"Lomize AL, Pogozheva ID.: Physics-Based Method for Modeling Passive Membrane Permeability and Translocation Pathways of Bioactive Molecules. J Chem Inf Model, Volume 59 (7), 2019";"PerMM web server"
L-Lysine;MM00753;NCCCC[C@H](N)C(=O)O;KDXKERNSBIXSRK-YFKPBYRVSA-N;146.19;-0.47;5962;DB00123;LYS;CHEMBL8085;LEC;CPMM;25;+2-1;"pH=7.4 ,<a href=https://permm.phar.umich.edu/  target=_blank>PerMM web server</a>";;;;;;;;;-15.83;;;;;;;;;;;;"Lomize AL, Pogozheva ID.: Physics-Based Method for Modeling Passive Membrane Permeability and Translocation Pathways of Bioactive Molecules. J Chem Inf Model, Volume 59 (7), 2019";"PerMM web server"
"Acetic Acid";MM00613;CC(=O)O;QTBSBXVTEAMEQO-UHFFFAOYSA-N;60.05;0.09;176;DB03166;ACY;CHEMBL539;LEC;CPMM;25;-1;"pH=6.5 ,<a href=https://permm.phar.umich.edu/  target=_blank>PerMM web server</a>";;;;;;;;;-4.6;;;;;;;;;;;;"Lomize AL, Pogozheva ID.: Physics-Based Method for Modeling Passive Membrane Permeability and Translocation Pathways of Bioactive Molecules. J Chem Inf Model, Volume 59 (7), 2019";"PerMM web server"
"2,4-Dihydroxybenzoic Acid";MM00595;O=C(O)c1ccc(O)cc1O;UIAFKZKHHVMJGS-UHFFFAOYSA-N;154.12;0.8;1491;DB02839;DOB;CHEMBL328910;LEC;CPMM;25;-1;"pH=7.4 ,<a href=https://permm.phar.umich.edu/  target=_blank>PerMM web server</a>";;;;;;;;;-10.02;;;;;;;;;;;;"Lomize AL, Pogozheva ID.: Physics-Based Method for Modeling Passive Membrane Permeability and Translocation Pathways of Bioactive Molecules. J Chem Inf Model, Volume 59 (7), 2019";"PerMM web server"
2-Deoxyadenosine;MM00320;Nc1ncnc2c1ncn2[C@H]1C[C@H](O)[C@@H](CO)O1;OLXZPDWKRNYJJZ-RRKCRQDMSA-N;251.25;-0.95;13730;;;;LEC;CPMM;25;0;"pH=7.4 ,<a href=https://permm.phar.umich.edu/  target=_blank>PerMM web server</a>";;;;;;;;;-8.78;;;;;;;;;;;;"Lomize AL, Pogozheva ID.: Physics-Based Method for Modeling Passive Membrane Permeability and Translocation Pathways of Bioactive Molecules. J Chem Inf Model, Volume 59 (7), 2019";"PerMM web server"
Acetamide;MM00321;CC(N)=O;DLFVBJFMPXGRIB-UHFFFAOYSA-N;59.07;-0.51;178;DB02736;ACM;CHEMBL16081;LEC;CPMM;25;0;"pH=7.4 ,<a href=https://permm.phar.umich.edu/  target=_blank>PerMM web server</a>";;;;;;;;;-3.1;;;;;;;;;;;;"Lomize AL, Pogozheva ID.: Physics-Based Method for Modeling Passive Membrane Permeability and Translocation Pathways of Bioactive Molecules. J Chem Inf Model, Volume 59 (7), 2019";"PerMM web server"
Acetaminophen;MM00322;CC(=O)Nc1ccc(O)cc1;RZVAJINKPMORJF-UHFFFAOYSA-N;151.17;1.35;1983;DB00316;TYL;CHEMBL112;LEC;CPMM;25;0;"pH=7.4 ,<a href=https://permm.phar.umich.edu/  target=_blank>PerMM web server</a>";;;;;;;;;-2.32;;;;;;;;;;;;"Lomize AL, Pogozheva ID.: Physics-Based Method for Modeling Passive Membrane Permeability and Translocation Pathways of Bioactive Molecules. J Chem Inf Model, Volume 59 (7), 2019";"PerMM web server"
"Acetic Acid";MM00613;CC(=O)O;QTBSBXVTEAMEQO-UHFFFAOYSA-N;60.05;0.09;176;DB03166;ACY;CHEMBL539;LEC;CPMM;25;-1;"pH=7.4 ,<a href=https://permm.phar.umich.edu/  target=_blank>PerMM web server</a>";;;;;;;;;-4.6;;;;;;;;;;;;"Lomize AL, Pogozheva ID.: Physics-Based Method for Modeling Passive Membrane Permeability and Translocation Pathways of Bioactive Molecules. J Chem Inf Model, Volume 59 (7), 2019";"PerMM web server"
"Acetylsalicylic Acid";MM00080;CC(=O)Oc1ccccc1C(=O)O;BSYNRYMUTXBXSQ-UHFFFAOYSA-N;180.16;1.31;2244;DB00945;AIN;CHEMBL25;LEC;CPMM;25;-1;"pH=7.4 ,<a href=https://permm.phar.umich.edu/  target=_blank>PerMM web server</a>";;;;;;;;;-4.97;;;;;;;;;;;;"Lomize AL, Pogozheva ID.: Physics-Based Method for Modeling Passive Membrane Permeability and Translocation Pathways of Bioactive Molecules. J Chem Inf Model, Volume 59 (7), 2019";"PerMM web server"
9-hyroxyethoxymethylguanine;MM00074;Nc1nc(=O)c2ncn(COCCO)c2[nH]1;MKUXAQIIEYXACX-UHFFFAOYSA-N;225.21;-1.33;2022;DB00787;AC2;CHEMBL184;LEC;CPMM;25;0;"pH=7.4 ,<a href=https://permm.phar.umich.edu/  target=_blank>PerMM web server</a>";;;;;;;;;-10.92;;;;;;;;;;;;"Lomize AL, Pogozheva ID.: Physics-Based Method for Modeling Passive Membrane Permeability and Translocation Pathways of Bioactive Molecules. J Chem Inf Model, Volume 59 (7), 2019";"PerMM web server"
Adenine;MM00324;Nc1ncnc2nc[nH]c12;GFFGJBXGBJISGV-UHFFFAOYSA-N;135.13;-0.06;190;DB00173;ADE;CHEMBL226345;LEC;CPMM;25;0;"pH=7.4 ,<a href=https://permm.phar.umich.edu/  target=_blank>PerMM web server</a>";;;;;;;;;-4.69;;;;;;;;;;;;"Lomize AL, Pogozheva ID.: Physics-Based Method for Modeling Passive Membrane Permeability and Translocation Pathways of Bioactive Molecules. J Chem Inf Model, Volume 59 (7), 2019";"PerMM web server"
L-Alanine;MM00743;C[C@H](N)C(=O)O;QNAYBMKLOCPYGJ-REOHCLBHSA-N;89.09;-0.58;5950;DB00160;ALA;CHEMBL279597;LEC;CPMM;25;+1-1;"pH=7.4 ,<a href=https://permm.phar.umich.edu/  target=_blank>PerMM web server</a>";;;;;;;;;-11.32;;;;;;;;;;;;"Lomize AL, Pogozheva ID.: Physics-Based Method for Modeling Passive Membrane Permeability and Translocation Pathways of Bioactive Molecules. J Chem Inf Model, Volume 59 (7), 2019";"PerMM web server"
Alfuzosin;MM00328;COc1cc2nc(N(C)CCCNC(=O)C3CCCO3)nc(N)c2cc1OC;WNMJYKCGWZFFKR-UHFFFAOYSA-N;389.46;1.35;2092;DB00346;;CHEMBL709;LEC;CPMM;25;0;"pH=7.4 ,<a href=https://permm.phar.umich.edu/  target=_blank>PerMM web server</a>";;;;;;;;;-6.29;;;;;;;;;;;;"Lomize AL, Pogozheva ID.: Physics-Based Method for Modeling Passive Membrane Permeability and Translocation Pathways of Bioactive Molecules. J Chem Inf Model, Volume 59 (7), 2019";"PerMM web server"
Amoxicillin;MM00716;CC1(C)S[C@@H]2[C@H](NC(=O)[C@H](N)c3ccc(O)cc3)C(=O)N2[C@H]1C(=O)O;LSQZJLSUYDQPKJ-NJBDSQKTSA-N;365.41;0.02;33613;DB01060;;CHEMBL1082;LEC;CPMM;25;+1-1;"pH=7.4 ,<a href=https://permm.phar.umich.edu/  target=_blank>PerMM web server</a>";;;;;;;;;-13.98;;;;;;;;;;;;"Lomize AL, Pogozheva ID.: Physics-Based Method for Modeling Passive Membrane Permeability and Translocation Pathways of Bioactive Molecules. J Chem Inf Model, Volume 59 (7), 2019";"PerMM web server"
Ampicillin;MM00627;CC1(C)S[C@@H]2[C@H](NC(=O)[C@H](N)c3ccccc3)C(=O)N2[C@H]1C(=O)O;AVKUERGKIZMTKX-NJBDSQKTSA-N;349.41;0.32;6249;DB00415;AIC;CHEMBL174;LEC;CPMM;25;-1;"pH=7.4 ,<a href=https://permm.phar.umich.edu/  target=_blank>PerMM web server</a>";;;;;;;;;-10.39;;;;;;;;;;;;"Lomize AL, Pogozheva ID.: Physics-Based Method for Modeling Passive Membrane Permeability and Translocation Pathways of Bioactive Molecules. J Chem Inf Model, Volume 59 (7), 2019";"PerMM web server"
Amprenavir;MM00332;CC(C)CN(CC(O)C(Cc1ccccc1)NC(=O)OC1CCOC1)S(=O)(=O)c1ccc(N)cc1;YMARZQAQMVYCKC-OEMFJLHTSA-N;505.64;2.4;65016;DB00701;478;CHEMBL116;LEC;CPMM;25;0;"pH=7.4 ,<a href=https://permm.phar.umich.edu/  target=_blank>PerMM web server</a>";;;;;;;;;-5.27;;;;;;;;;;;;"Lomize AL, Pogozheva ID.: Physics-Based Method for Modeling Passive Membrane Permeability and Translocation Pathways of Bioactive Molecules. J Chem Inf Model, Volume 59 (7), 2019";"PerMM web server"
"2-Aminobenzoic Acid";MM00596;Nc1ccccc1C(=O)O;RWZYAGGXGHYGMB-UHFFFAOYSA-N;137.14;0.97;227;DB04166;BE2;CHEMBL14173;LEC;CPMM;25;-1;"pH=7.4 ,<a href=https://permm.phar.umich.edu/  target=_blank>PerMM web server</a>";;;;;;;;;-8.03;;;;;;;;;;;;"Lomize AL, Pogozheva ID.: Physics-Based Method for Modeling Passive Membrane Permeability and Translocation Pathways of Bioactive Molecules. J Chem Inf Model, Volume 59 (7), 2019";"PerMM web server"
Antipyrine;MM00333;Cc1cc(=O)n(-c2ccccc2)n1C;VEQOALNAAJBPNY-UHFFFAOYSA-N;188.23;1.48;2206;DB01435;;CHEMBL277474;LEC;CPMM;25;0;"pH=7.4 ,<a href=https://permm.phar.umich.edu/  target=_blank>PerMM web server</a>";;;;;;;;;0.76;;;;;;;;;;;;"Lomize AL, Pogozheva ID.: Physics-Based Method for Modeling Passive Membrane Permeability and Translocation Pathways of Bioactive Molecules. J Chem Inf Model, Volume 59 (7), 2019";"PerMM web server"
"Benzoic Acid";MM00630;O=C(O)c1ccccc1;WPYMKLBDIGXBTP-UHFFFAOYSA-N;122.12;1.38;243;DB03793;BEZ;CHEMBL541;LEC;CPMM;25;-1;"pH=7.4 ,<a href=https://permm.phar.umich.edu/  target=_blank>PerMM web server</a>";;;;;;;;;-3.64;;;;;;;;;;;;"Lomize AL, Pogozheva ID.: Physics-Based Method for Modeling Passive Membrane Permeability and Translocation Pathways of Bioactive Molecules. J Chem Inf Model, Volume 59 (7), 2019";"PerMM web server"
Bromocriptine;MM00338;CC(C)C[C@H]1C(=O)N2CCC[C@H]2[C@]2(O)O[C@](NC(=O)[C@@H]3C=C4c5cccc6[nH]c(Br)c(c56)C[C@H]4N(C)C3)(C(C)C)C(=O)N12;OZVBMTJYIDMWIL-AYFBDAFISA-N;654.61;3.19;31101;DB01200;08Y;CHEMBL493;LEC;CPMM;25;0;"pH=7.4 ,<a href=https://permm.phar.umich.edu/  target=_blank>PerMM web server</a>";;;;;;;;;-3.29;;;;;;;;;;;;"Lomize AL, Pogozheva ID.: Physics-Based Method for Modeling Passive Membrane Permeability and Translocation Pathways of Bioactive Molecules. J Chem Inf Model, Volume 59 (7), 2019";"PerMM web server"
"Butyric Acid";MM00634;CCCC(=O)O;FERIUCNNQQJTOY-UHFFFAOYSA-N;88.11;0.87;264;DB03568;BUA;CHEMBL14227;LEC;CPMM;25;-1;"pH=7.4 ,<a href=https://permm.phar.umich.edu/  target=_blank>PerMM web server</a>";;;;;;;;;-3.65;;;;;;;;;;;;"Lomize AL, Pogozheva ID.: Physics-Based Method for Modeling Passive Membrane Permeability and Translocation Pathways of Bioactive Molecules. J Chem Inf Model, Volume 59 (7), 2019";"PerMM web server"
Carbamazepine;MM00341;NC(=O)N1c2ccccc2C=Cc2ccccc21;FFGPTBGBLSHEPO-UHFFFAOYSA-N;236.27;3.39;2554;DB00564;;CHEMBL108;LEC;CPMM;25;0;"pH=7.4 ,<a href=https://permm.phar.umich.edu/  target=_blank>PerMM web server</a>";;;;;;;;;0.56;;;;;;;;;;;;"Lomize AL, Pogozheva ID.: Physics-Based Method for Modeling Passive Membrane Permeability and Translocation Pathways of Bioactive Molecules. J Chem Inf Model, Volume 59 (7), 2019";"PerMM web server"
Cefaclor;MM00717;NC(C(=O)NC1C(=O)N2C(C(=O)O)=C(Cl)CSC12)c1ccccc1;QYIYFLOTGYLRGG-UHFFFAOYSA-N;367.81;0.62;51039;DB00833;;CHEMBL680;LEC;CPMM;25;+1-1;"pH=7.4 ,<a href=https://permm.phar.umich.edu/  target=_blank>PerMM web server</a>";;;;;;;;;-12.25;;;;;;;;;;;;"Lomize AL, Pogozheva ID.: Physics-Based Method for Modeling Passive Membrane Permeability and Translocation Pathways of Bioactive Molecules. J Chem Inf Model, Volume 59 (7), 2019";"PerMM web server"
Cefadroxil;MM00718;CC1=C(C(=O)O)N2C(=O)C(NC(=O)C(N)c3ccc(O)cc3)C2SC1;BOEGTKLJZSQCCD-UHFFFAOYSA-N;363.4;0.15;47965;DB01140;;CHEMBL1644;LEC;CPMM;25;+1-1;"pH=7.4 ,<a href=https://permm.phar.umich.edu/  target=_blank>PerMM web server</a>";;;;;;;;;-13.9;;;;;;;;;;;;"Lomize AL, Pogozheva ID.: Physics-Based Method for Modeling Passive Membrane Permeability and Translocation Pathways of Bioactive Molecules. J Chem Inf Model, Volume 59 (7), 2019";"PerMM web server"
Ceftibuten;MM00637;Nc1nc(C(=CCC(=O)O)C(=O)NC2C(=O)N3C(C(=O)O)=CCSC23)cs1;UNJFKXSSGBWRBZ-UHFFFAOYSA-N;410.43;-0.05;5282242;DB01415;;CHEMBL1605;LEC;CPMM;25;-2;"pH=7.4 ,<a href=https://permm.phar.umich.edu/  target=_blank>PerMM web server</a>";;;;;;;;;-18.82;;;;;;;;;;;;"Lomize AL, Pogozheva ID.: Physics-Based Method for Modeling Passive Membrane Permeability and Translocation Pathways of Bioactive Molecules. J Chem Inf Model, Volume 59 (7), 2019";"PerMM web server"
Cephalexin;MM00721;CC1=C(C(=O)O)N2C(=O)C(NC(=O)C(N)c3ccccc3)C2SC1;ZAIPMKNFIOOWCQ-UHFFFAOYSA-N;347.4;0.44;27447;DB00567;;CHEMBL1727;LEC;CPMM;25;+1-1;"pH=7.4 ,<a href=https://permm.phar.umich.edu/  target=_blank>PerMM web server</a>";;;;;;;;;-11.11;;;;;;;;;;;;"Lomize AL, Pogozheva ID.: Physics-Based Method for Modeling Passive Membrane Permeability and Translocation Pathways of Bioactive Molecules. J Chem Inf Model, Volume 59 (7), 2019";"PerMM web server"
Cephradine;MM00723;CC1=C(C(=O)O)N2C(=O)C(NC(=O)C(N)C3=CCC=CC3)C2SC1;RDLPVSKMFDYCOR-UHFFFAOYSA-N;349.41;0.35;38103;DB01333;;CHEMBL1604;LEC;CPMM;25;+1-1;"pH=7.4 ,<a href=https://permm.phar.umich.edu/  target=_blank>PerMM web server</a>";;;;;;;;;-10.09;;;;;;;;;;;;"Lomize AL, Pogozheva ID.: Physics-Based Method for Modeling Passive Membrane Permeability and Translocation Pathways of Bioactive Molecules. J Chem Inf Model, Volume 59 (7), 2019";"PerMM web server"
Chlorambucil;MM00640;O=C(O)CCCc1ccc(N(CCCl)CCCl)cc1;JCKYGMPEJWAADB-UHFFFAOYSA-N;304.22;3.38;2708;DB00291;CBL;CHEMBL515;LEC;CPMM;25;-1;"pH=7.4 ,<a href=https://permm.phar.umich.edu/  target=_blank>PerMM web server</a>";;;;;;;;;-3.13;;;;;;;;;;;;"Lomize AL, Pogozheva ID.: Physics-Based Method for Modeling Passive Membrane Permeability and Translocation Pathways of Bioactive Molecules. J Chem Inf Model, Volume 59 (7), 2019";"PerMM web server"
Chloramphenicol;MM00342;O=C(NC(CO)C(O)c1ccc([N+](=O)[O-])cc1)C(Cl)Cl;WIIZWVCIJKGZOK-UHFFFAOYSA-N;323.13;0.91;5959;DB00446;CLM;CHEMBL130;LEC;CPMM;25;0;"pH=7.4 ,<a href=https://permm.phar.umich.edu/  target=_blank>PerMM web server</a>";;;;;;;;;-5.06;;;;;;;;;;;;"Lomize AL, Pogozheva ID.: Physics-Based Method for Modeling Passive Membrane Permeability and Translocation Pathways of Bioactive Molecules. J Chem Inf Model, Volume 59 (7), 2019";"PerMM web server"
"Chloroacetic Acid";MM00032;O=C(O)CCl;FOCAUTSVDIKZOP-UHFFFAOYSA-N;94.5;0.31;300;;;;LEC;CPMM;25;-1;"pH=7.4 ,<a href=https://permm.phar.umich.edu/  target=_blank>PerMM web server</a>";;;;;;;;;-7.18;;;;;;;;;;;;"Lomize AL, Pogozheva ID.: Physics-Based Method for Modeling Passive Membrane Permeability and Translocation Pathways of Bioactive Molecules. J Chem Inf Model, Volume 59 (7), 2019";"PerMM web server"
Chlorothiazide;MM00641;NS(=O)(=O)c1cc2c(cc1Cl)NC=NS2(=O)=O;JBMKAUGHUNFTOL-UHFFFAOYSA-N;295.73;0.13;2720;DB00880;;CHEMBL842;LEC;CPMM;25;0;"pH=7.4 ,<a href=https://permm.phar.umich.edu/  target=_blank>PerMM web server</a>";;;;;;;;;-10.16;;;;;;;;;;;;"Lomize AL, Pogozheva ID.: Physics-Based Method for Modeling Passive Membrane Permeability and Translocation Pathways of Bioactive Molecules. J Chem Inf Model, Volume 59 (7), 2019";"PerMM web server"
Ciprofloxacin;MM00726;O=C(O)c1cn(C2CC2)c2cc(N3CCNCC3)c(F)cc2c1=O;MYSWGUAQZAJSOK-UHFFFAOYSA-N;331.35;1.58;2764;DB00537;CPF;CHEMBL8;LEC;CPMM;25;+1-1;"pH=7.4 ,<a href=https://permm.phar.umich.edu/  target=_blank>PerMM web server</a>";;;;;;;;;-8.12;;;;;;;;;;;;"Lomize AL, Pogozheva ID.: Physics-Based Method for Modeling Passive Membrane Permeability and Translocation Pathways of Bioactive Molecules. J Chem Inf Model, Volume 59 (7), 2019";"PerMM web server"
Clonidine;MM00344;Clc1cccc(Cl)c1NC1=NCCN1;GJSURZIOUXUGAL-UHFFFAOYSA-N;230.1;2.17;2803;DB00575;CLU;CHEMBL134;LEC;CPMM;25;0;"pH=7.4 ,<a href=https://permm.phar.umich.edu/  target=_blank>PerMM web server</a>";;;;;;;;;-2.09;;;;;;;;;;;;"Lomize AL, Pogozheva ID.: Physics-Based Method for Modeling Passive Membrane Permeability and Translocation Pathways of Bioactive Molecules. J Chem Inf Model, Volume 59 (7), 2019";"PerMM web server"
2-amino-3-methyl-4H-imidazol-5-one;MM00348;CN1CC(=O)N=C1N;DDRJAANPRJIHGJ-UHFFFAOYSA-N;113.12;-1.23;588;DB11846;;CHEMBL65567;LEC;CPMM;25;0;"pH=7.4 ,<a href=https://permm.phar.umich.edu/  target=_blank>PerMM web server</a>";;;;;;;;;-6.67;;;;;;;;;;;;"Lomize AL, Pogozheva ID.: Physics-Based Method for Modeling Passive Membrane Permeability and Translocation Pathways of Bioactive Molecules. J Chem Inf Model, Volume 59 (7), 2019";"PerMM web server"
Dexamethasone;MM00355;C[C@@H]1C[C@H]2[C@@H]3CCC4=CC(=O)C=C[C@]4(C)[C@@]3(F)[C@@H](O)C[C@]2(C)[C@@]1(O)C(=O)CO;UREBDLICKHMUKA-CXSFZGCWSA-N;392.47;1.9;5743;DB01234;DEX;CHEMBL384467;LEC;CPMM;25;0;"pH=7.4 ,<a href=https://permm.phar.umich.edu/  target=_blank>PerMM web server</a>";;;;;;;;;-5.68;;;;;;;;;;;;"Lomize AL, Pogozheva ID.: Physics-Based Method for Modeling Passive Membrane Permeability and Translocation Pathways of Bioactive Molecules. J Chem Inf Model, Volume 59 (7), 2019";"PerMM web server"
D-Glucose;MM00352;OCC1OC(O)C(O)C(O)C1O;WQZGKKKJIJFFOK-GASJEMHNSA-N;180.16;-3.22;5793;;;CHEMBL1222250;LEC;CPMM;25;0;"pH=7.4 ,<a href=https://permm.phar.umich.edu/  target=_blank>PerMM web server</a>";;;;;;;;;-12.14;;;;;;;;;;;;"Lomize AL, Pogozheva ID.: Physics-Based Method for Modeling Passive Membrane Permeability and Translocation Pathways of Bioactive Molecules. J Chem Inf Model, Volume 59 (7), 2019";"PerMM web server"
Diazepam;MM00094;CN1C(=O)CN=C(c2ccccc2)c2cc(Cl)ccc21;AAOVKJBEBIDNHE-UHFFFAOYSA-N;284.75;3.15;3016;DB00829;DZP;CHEMBL12;LEC;CPMM;25;0;"pH=7.4 ,<a href=https://permm.phar.umich.edu/  target=_blank>PerMM web server</a>";;;;;;;;;-0.45;;;;;;;;;;;;"Lomize AL, Pogozheva ID.: Physics-Based Method for Modeling Passive Membrane Permeability and Translocation Pathways of Bioactive Molecules. J Chem Inf Model, Volume 59 (7), 2019";"PerMM web server"
Diclofenac;MM00090;O=C(O)Cc1ccccc1Nc1c(Cl)cccc1Cl;DCOPUUMXTXDBNB-UHFFFAOYSA-N;296.15;4.36;3033;DB00586;DIF;CHEMBL139;LEC;CPMM;25;-1;"pH=7.4 ,<a href=https://permm.phar.umich.edu/  target=_blank>PerMM web server</a>";;;;;;;;;-4.36;;;;;;;;;;;;"Lomize AL, Pogozheva ID.: Physics-Based Method for Modeling Passive Membrane Permeability and Translocation Pathways of Bioactive Molecules. J Chem Inf Model, Volume 59 (7), 2019";"PerMM web server"
Digoxin;MM00357;CC1OC(OC2C(O)CC(OC3C(O)CC(OC4CCC5(C)C(CCC6C5CC(O)C5(C)C(C7=CC(=O)OC7)CCC65O)C4)OC3C)OC2C)CC(O)C1O;LTMHDMANZUZIPE-UHFFFAOYSA-N;780.95;2.22;2724385;DB00390;DGX;CHEMBL1751;LEC;CPMM;25;0;"pH=7.4 ,<a href=https://permm.phar.umich.edu/  target=_blank>PerMM web server</a>";;;;;;;;;-6.54;;;;;;;;;;;;"Lomize AL, Pogozheva ID.: Physics-Based Method for Modeling Passive Membrane Permeability and Translocation Pathways of Bioactive Molecules. J Chem Inf Model, Volume 59 (7), 2019";"PerMM web server"
Enalaprilat;MM00732;CC(NC(CCc1ccccc1)C(=O)O)C(=O)N1CCCC1C(=O)O;LZFZMUMEGBBDTC-UHFFFAOYSA-N;348.4;1.13;5462501;DB09477;EAL;CHEMBL577;LEC;CPMM;25;+1-1;"pH=7.4 ,<a href=https://permm.phar.umich.edu/  target=_blank>PerMM web server</a>";;;;;;;;;-12.59;;;;;;;;;;;;"Lomize AL, Pogozheva ID.: Physics-Based Method for Modeling Passive Membrane Permeability and Translocation Pathways of Bioactive Molecules. J Chem Inf Model, Volume 59 (7), 2019";"PerMM web server"
Meso-erythritol;MM00068;OC[C@H](O)[C@H](O)CO;UNXHWFMMPAWVPI-ZXZARUISSA-N;122.12;-2.31;222285;DB04481;MRY;CHEMBL349605;LEC;CPMM;25;0;"pH=7.4 ,<a href=https://permm.phar.umich.edu/  target=_blank>PerMM web server</a>";;;;;;;;;-9.08;;;;;;;;;;;;"Lomize AL, Pogozheva ID.: Physics-Based Method for Modeling Passive Membrane Permeability and Translocation Pathways of Bioactive Molecules. J Chem Inf Model, Volume 59 (7), 2019";"PerMM web server"
Estradiol;MM00197;CC12CCC3c4ccc(O)cc4CCC3C1CCC2O;VOXZDWNPVJITMN-UHFFFAOYSA-N;272.39;3.61;5757;DB00783;EST;CHEMBL135;LEC;CPMM;25;0;"pH=7.4 ,<a href=https://permm.phar.umich.edu/  target=_blank>PerMM web server</a>";;;;;;;;;0.76;;;;;;;;;;;;"Lomize AL, Pogozheva ID.: Physics-Based Method for Modeling Passive Membrane Permeability and Translocation Pathways of Bioactive Molecules. J Chem Inf Model, Volume 59 (7), 2019";"PerMM web server"
Ethanol;MM00060;CCO;LFQSCWFLJHTTHZ-UHFFFAOYSA-N;46.07;;702;DB00898;EOH;CHEMBL545;LEC;CPMM;25;0;"pH=7.4 ,<a href=https://permm.phar.umich.edu/  target=_blank>PerMM web server</a>";;;;;;;;;-1.31;;;;;;;;;;;;"Lomize AL, Pogozheva ID.: Physics-Based Method for Modeling Passive Membrane Permeability and Translocation Pathways of Bioactive Molecules. J Chem Inf Model, Volume 59 (7), 2019";"PerMM web server"
3-ethyl-3-methylpyrrolidine-2,5-dione;MM00359;CCC1(C)CC(=O)NC1=O;HAPOVYFOVVWLRS-UHFFFAOYSA-N;141.17;0.45;3291;DB00593;;CHEMBL696;LEC;CPMM;25;0;"pH=7.4 ,<a href=https://permm.phar.umich.edu/  target=_blank>PerMM web server</a>";;;;;;;;;-3.13;;;;;;;;;;;;"Lomize AL, Pogozheva ID.: Physics-Based Method for Modeling Passive Membrane Permeability and Translocation Pathways of Bioactive Molecules. J Chem Inf Model, Volume 59 (7), 2019";"PerMM web server"
Etoposide;MM00361;COc1cc(C2c3cc4c(cc3C(OC3OC5COC(C)OC5C(O)C3O)C3COC(=O)C23)OCO4)cc(OC)c1O;VJJPUSNTGOMMGY-UHFFFAOYSA-N;588.56;1.34;36462;DB00773;EVP;CHEMBL44657;LEC;CPMM;25;0;"pH=7.4 ,<a href=https://permm.phar.umich.edu/  target=_blank>PerMM web server</a>";;;;;;;;;-10.79;;;;;;;;;;;;"Lomize AL, Pogozheva ID.: Physics-Based Method for Modeling Passive Membrane Permeability and Translocation Pathways of Bioactive Molecules. J Chem Inf Model, Volume 59 (7), 2019";"PerMM web server"
Famciclovir;MM00362;CC(=O)OCC(CCn1cnc2cnc(N)nc21)COC(C)=O;GGXKWVWZWMLJEH-UHFFFAOYSA-N;321.34;0.54;3324;DB00426;;CHEMBL880;LEC;CPMM;25;0;"pH=7.4 ,<a href=https://permm.phar.umich.edu/  target=_blank>PerMM web server</a>";;;;;;;;;-5.98;;;;;;;;;;;;"Lomize AL, Pogozheva ID.: Physics-Based Method for Modeling Passive Membrane Permeability and Translocation Pathways of Bioactive Molecules. J Chem Inf Model, Volume 59 (7), 2019";"PerMM web server"
Fexofenadine;MM00735;CC(C)(C(=O)O)c1ccc(C(O)CCCN2CCC(C(O)(c3ccccc3)c3ccccc3)CC2)cc1;RWTNPBWLLIMQHL-UHFFFAOYSA-N;501.67;5.51;3348;DB00950;;CHEMBL914;LEC;CPMM;25;+1-1;"pH=7.4 ,<a href=https://permm.phar.umich.edu/  target=_blank>PerMM web server</a>";;;;;;;;;-2.68;;;;;;;;;;;;"Lomize AL, Pogozheva ID.: Physics-Based Method for Modeling Passive Membrane Permeability and Translocation Pathways of Bioactive Molecules. J Chem Inf Model, Volume 59 (7), 2019";"PerMM web server"
2-phenylchromen-4-one;MM00364;O=c1cc(-c2ccccc2)oc2ccccc12;VHBFFQKBGNRLFZ-UHFFFAOYSA-N;222.24;3.46;10680;DB07776;FLN;CHEMBL275638;LEC;CPMM;25;0;"pH=7.4 ,<a href=https://permm.phar.umich.edu/  target=_blank>PerMM web server</a>";;;;;;;;;2.41;;;;;;;;;;;;"Lomize AL, Pogozheva ID.: Physics-Based Method for Modeling Passive Membrane Permeability and Translocation Pathways of Bioactive Molecules. J Chem Inf Model, Volume 59 (7), 2019";"PerMM web server"
Flumequine;MM00646;CC1CCc2cc(F)cc3c(=O)c(C(=O)O)cn1c23;DPSPPJIUMHPXMA-UHFFFAOYSA-N;261.25;2.35;3374;DB08972;;CHEMBL370252;LEC;CPMM;25;-1;"pH=7.4 ,<a href=https://permm.phar.umich.edu/  target=_blank>PerMM web server</a>";;;;;;;;;-3.64;;;;;;;;;;;;"Lomize AL, Pogozheva ID.: Physics-Based Method for Modeling Passive Membrane Permeability and Translocation Pathways of Bioactive Molecules. J Chem Inf Model, Volume 59 (7), 2019";"PerMM web server"
"2-(6-hydroxy-3-oxo-3h-xanthen-9-yl)-benzoic acid";MM00054;O=C1OC2(c3ccc(O)cc3Oc3cc(O)ccc32)c2ccccc21;GNBHRKFJIUUOQI-UHFFFAOYSA-N;332.31;3.67;16850;DB00693;FLU;CHEMBL1057;LEC;CPMM;25;0;"pH=7.4 ,<a href=https://permm.phar.umich.edu/  target=_blank>PerMM web server</a>";;;;;;;;;-2.84;;;;;;;;;;;;"Lomize AL, Pogozheva ID.: Physics-Based Method for Modeling Passive Membrane Permeability and Translocation Pathways of Bioactive Molecules. J Chem Inf Model, Volume 59 (7), 2019";"PerMM web server"
Formamide;MM00365;NC=O;ZHNUHDYFZUAESO-UHFFFAOYSA-N;45.04;-0.9;713;;;;LEC;CPMM;25;0;"pH=7.4 ,<a href=https://permm.phar.umich.edu/  target=_blank>PerMM web server</a>";;;;;;;;;-4.16;;;;;;;;;;;;"Lomize AL, Pogozheva ID.: Physics-Based Method for Modeling Passive Membrane Permeability and Translocation Pathways of Bioactive Molecules. J Chem Inf Model, Volume 59 (7), 2019";"PerMM web server"
"Formic Acid";MM00649;O=CO;BDAGIHXWWSANSR-UHFFFAOYSA-N;46.03;-0.3;284;DB01942;FMT;CHEMBL116736;LEC;CPMM;25;-1;"pH=7.4 ,<a href=https://permm.phar.umich.edu/  target=_blank>PerMM web server</a>";;;;;;;;;-6.39;;;;;;;;;;;;"Lomize AL, Pogozheva ID.: Physics-Based Method for Modeling Passive Membrane Permeability and Translocation Pathways of Bioactive Molecules. J Chem Inf Model, Volume 59 (7), 2019";"PerMM web server"
Furosemide;MM00083;NS(=O)(=O)c1cc(C(=O)O)c(NCc2ccco2)cc1Cl;ZZUFCTLCJUWOSV-UHFFFAOYSA-N;330.75;1.89;3440;DB00695;FUN;CHEMBL35;LEC;CPMM;25;-1;"pH=7.4 ,<a href=https://permm.phar.umich.edu/  target=_blank>PerMM web server</a>";;;;;;;;;-9.97;;;;;;;;;;;;"Lomize AL, Pogozheva ID.: Physics-Based Method for Modeling Passive Membrane Permeability and Translocation Pathways of Bioactive Molecules. J Chem Inf Model, Volume 59 (7), 2019";"PerMM web server"
Gabapentin;MM00737;NCC1(CC(=O)O)CCCCC1;UGJMXCAKCUNAIE-UHFFFAOYSA-N;171.24;1.37;3446;DB00996;GBN;CHEMBL940;LEC;CPMM;25;+1-1;"pH=7.4 ,<a href=https://permm.phar.umich.edu/  target=_blank>PerMM web server</a>";;;;;;;;;-9.29;;;;;;;;;;;;"Lomize AL, Pogozheva ID.: Physics-Based Method for Modeling Passive Membrane Permeability and Translocation Pathways of Bioactive Molecules. J Chem Inf Model, Volume 59 (7), 2019";"PerMM web server"
9-(1,3-dihydroxy-propoxymethane)guanine;MM00367;Nc1nc(O)c2ncn(COC(CO)CO)c2n1;IRSCQMHQWWYFCW-UHFFFAOYSA-N;255.23;-1.56;3454;DB01004;GA2;CHEMBL182;LEC;CPMM;25;0;"pH=7.4 ,<a href=https://permm.phar.umich.edu/  target=_blank>PerMM web server</a>";;;;;;;;;-13.06;;;;;;;;;;;;"Lomize AL, Pogozheva ID.: Physics-Based Method for Modeling Passive Membrane Permeability and Translocation Pathways of Bioactive Molecules. J Chem Inf Model, Volume 59 (7), 2019";"PerMM web server"
Genistein;MM00368;O=c1c(-c2ccc(O)cc2)coc2cc(O)cc(O)c12;TZBJGXHYKVUXJN-UHFFFAOYSA-N;270.24;2.58;5280961;DB01645;GEN;CHEMBL44;LEC;CPMM;25;0;"pH=7.4 ,<a href=https://permm.phar.umich.edu/  target=_blank>PerMM web server</a>";;;;;;;;;-4.49;;;;;;;;;;;;"Lomize AL, Pogozheva ID.: Physics-Based Method for Modeling Passive Membrane Permeability and Translocation Pathways of Bioactive Molecules. J Chem Inf Model, Volume 59 (7), 2019";"PerMM web server"
Glipizide;MM00651;Cc1cnc(C(=O)NCCc2ccc(S(=O)(=O)NC(=O)NC3CCCCC3)cc2)cn1;ZJJXGWJIGJFDTL-UHFFFAOYSA-N;445.55;2.08;3478;DB01067;;CHEMBL1073;LEC;CPMM;25;-1;"pH=7.4 ,<a href=https://permm.phar.umich.edu/  target=_blank>PerMM web server</a>";;;;;;;;;-7.69;;;;;;;;;;;;"Lomize AL, Pogozheva ID.: Physics-Based Method for Modeling Passive Membrane Permeability and Translocation Pathways of Bioactive Molecules. J Chem Inf Model, Volume 59 (7), 2019";"PerMM web server"
Glycerol;MM00067;OCC(O)CO;PEDCQBHIVMGVHV-UHFFFAOYSA-N;92.09;-1.67;753;DB09462;GOL;CHEMBL692;LEC;CPMM;25;0;"pH=7.4 ,<a href=https://permm.phar.umich.edu/  target=_blank>PerMM web server</a>";;;;;;;;;-7.02;;;;;;;;;;;;"Lomize AL, Pogozheva ID.: Physics-Based Method for Modeling Passive Membrane Permeability and Translocation Pathways of Bioactive Molecules. J Chem Inf Model, Volume 59 (7), 2019";"PerMM web server"
Glycine;MM00741;NCC(=O)O;DHMQDGOQFOQNFH-UHFFFAOYSA-N;75.07;-0.97;750;DB00145;GLY;CHEMBL773;LEC;CPMM;25;+1-1;"pH=7.4 ,<a href=https://permm.phar.umich.edu/  target=_blank>PerMM web server</a>";;;;;;;;;-12.51;;;;;;;;;;;;"Lomize AL, Pogozheva ID.: Physics-Based Method for Modeling Passive Membrane Permeability and Translocation Pathways of Bioactive Molecules. J Chem Inf Model, Volume 59 (7), 2019";"PerMM web server"
Grepafloxacin;MM00742;Cc1c(F)c(N2CCNC(C)C2)cc2c1c(=O)c(C(=O)O)cn2C1CC1;AIJTTZAVMXIJGM-UHFFFAOYSA-N;359.4;2.28;72474;DB00365;;CHEMBL583;LEC;CPMM;25;+1-1;"pH=7.4 ,<a href=https://permm.phar.umich.edu/  target=_blank>PerMM web server</a>";;;;;;;;;-6.53;;;;;;;;;;;;"Lomize AL, Pogozheva ID.: Physics-Based Method for Modeling Passive Membrane Permeability and Translocation Pathways of Bioactive Molecules. J Chem Inf Model, Volume 59 (7), 2019";"PerMM web server"
Guanfacine;MM00370;N=C(N)NC(=O)Cc1c(Cl)cccc1Cl;INJOMKTZOLKMBF-UHFFFAOYSA-N;246.1;1.55;3519;DB01018;;CHEMBL862;LEC;CPMM;25;0;"pH=7.4 ,<a href=https://permm.phar.umich.edu/  target=_blank>PerMM web server</a>";;;;;;;;;-5.09;;;;;;;;;;;;"Lomize AL, Pogozheva ID.: Physics-Based Method for Modeling Passive Membrane Permeability and Translocation Pathways of Bioactive Molecules. J Chem Inf Model, Volume 59 (7), 2019";"PerMM web server"
"Caproic Acid";MM00636;CCCCCC(=O)O;FUZZWVXGSFPDMH-UHFFFAOYSA-N;116.16;1.65;8892;;;;LEC;CPMM;25;-1;"pH=7.4 ,<a href=https://permm.phar.umich.edu/  target=_blank>PerMM web server</a>";;;;;;;;;-2.84;;;;;;;;;;;;"Lomize AL, Pogozheva ID.: Physics-Based Method for Modeling Passive Membrane Permeability and Translocation Pathways of Bioactive Molecules. J Chem Inf Model, Volume 59 (7), 2019";"PerMM web server"
Hydrochlorothiazide;MM00373;NS(=O)(=O)c1cc2c(cc1Cl)NCNS2(=O)=O;JZUFKLXOESDKRF-UHFFFAOYSA-N;297.75;-0.35;3639;DB00999;HCZ;CHEMBL435;LEC;CPMM;25;0;"pH=7.4 ,<a href=https://permm.phar.umich.edu/  target=_blank>PerMM web server</a>";;;;;;;;;-9.36;;;;;;;;;;;;"Lomize AL, Pogozheva ID.: Physics-Based Method for Modeling Passive Membrane Permeability and Translocation Pathways of Bioactive Molecules. J Chem Inf Model, Volume 59 (7), 2019";"PerMM web server"
Hydrocortisone;MM00044;CC12CCC(=O)C=C1CCC1C2C(O)CC2(C)C1CCC2(O)C(=O)CO;JYGXADMDTFJGBT-UHFFFAOYSA-N;362.47;1.78;5754;DB00741;HCY;CHEMBL389621;LEC;CPMM;25;0;"pH=7.4 ,<a href=https://permm.phar.umich.edu/  target=_blank>PerMM web server</a>";;;;;;;;;-5.09;;;;;;;;;;;;"Lomize AL, Pogozheva ID.: Physics-Based Method for Modeling Passive Membrane Permeability and Translocation Pathways of Bioactive Molecules. J Chem Inf Model, Volume 59 (7), 2019";"PerMM web server"
Hydroxyurea;MM00374;NC(=O)NO;VSNHCAURESNICA-UHFFFAOYSA-N;76.06;-0.96;3657;DB01005;NHY;CHEMBL467;LEC;CPMM;25;0;"pH=7.4 ,<a href=https://permm.phar.umich.edu/  target=_blank>PerMM web server</a>";;;;;;;;;-4.4;;;;;;;;;;;;"Lomize AL, Pogozheva ID.: Physics-Based Method for Modeling Passive Membrane Permeability and Translocation Pathways of Bioactive Molecules. J Chem Inf Model, Volume 59 (7), 2019";"PerMM web server"
Hypoxanthine;MM00375;O=c1nc[nH]c2nc[nH]c12;FDGQSTZJBFJUBT-UHFFFAOYSA-N;136.11;-0.35;790;DB04076;HPA;CHEMBL1427;LEC;CPMM;25;0;"pH=7.4 ,<a href=https://permm.phar.umich.edu/  target=_blank>PerMM web server</a>";;;;;;;;;-6.18;;;;;;;;;;;;"Lomize AL, Pogozheva ID.: Physics-Based Method for Modeling Passive Membrane Permeability and Translocation Pathways of Bioactive Molecules. J Chem Inf Model, Volume 59 (7), 2019";"PerMM web server"
Indomethacin;MM00656;COc1ccc2c(c1)c(CC(=O)O)c(C)n2C(=O)c1ccc(Cl)cc1;CGIGDMFJXJATDK-UHFFFAOYSA-N;357.79;3.93;3715;DB00328;IMN;CHEMBL6;LEC;CPMM;25;-1;"pH=7.4 ,<a href=https://permm.phar.umich.edu/  target=_blank>PerMM web server</a>";;;;;;;;;-5.19;;;;;;;;;;;;"Lomize AL, Pogozheva ID.: Physics-Based Method for Modeling Passive Membrane Permeability and Translocation Pathways of Bioactive Molecules. J Chem Inf Model, Volume 59 (7), 2019";"PerMM web server"
"Isobutyric Acid";MM00658;CC(C)C(=O)O;KQNPFQTWMSNSAP-UHFFFAOYSA-N;88.11;0.73;6590;DB02531;ALQ;CHEMBL108778;LEC;CPMM;25;-1;"pH=7.4 ,<a href=https://permm.phar.umich.edu/  target=_blank>PerMM web server</a>";;;;;;;;;-3.64;;;;;;;;;;;;"Lomize AL, Pogozheva ID.: Physics-Based Method for Modeling Passive Membrane Permeability and Translocation Pathways of Bioactive Molecules. J Chem Inf Model, Volume 59 (7), 2019";"PerMM web server"
N'-benzyl-5-methyl-1,2-oxazole-3-carbohydrazide;MM00379;Cc1cc(C(=O)NNCc2ccccc2)no1;XKFPYPQQHFEXRZ-UHFFFAOYSA-N;231.26;1.42;3759;DB01247;;;LEC;CPMM;25;0;"pH=7.4 ,<a href=https://permm.phar.umich.edu/  target=_blank>PerMM web server</a>";;;;;;;;;0.42;;;;;;;;;;;;"Lomize AL, Pogozheva ID.: Physics-Based Method for Modeling Passive Membrane Permeability and Translocation Pathways of Bioactive Molecules. J Chem Inf Model, Volume 59 (7), 2019";"PerMM web server"
"Isovaleric Acid";MM00659;CC(C)CC(=O)O;GWYFCOCPABKNJV-UHFFFAOYSA-N;102.13;1.12;10430;DB03750;IVA;CHEMBL568737;LEC;CPMM;25;-1;"pH=7.4 ,<a href=https://permm.phar.umich.edu/  target=_blank>PerMM web server</a>";;;;;;;;;-3.44;;;;;;;;;;;;"Lomize AL, Pogozheva ID.: Physics-Based Method for Modeling Passive Membrane Permeability and Translocation Pathways of Bioactive Molecules. J Chem Inf Model, Volume 59 (7), 2019";"PerMM web server"
Ketoprofen;MM00662;CC(C(=O)O)c1cccc(C(=O)c2ccccc2)c1;DKYWVDODHFEZIM-UHFFFAOYSA-N;254.29;3.11;3825;DB01009;;CHEMBL571;LEC;CPMM;25;-1;"pH=7.4 ,<a href=https://permm.phar.umich.edu/  target=_blank>PerMM web server</a>";;;;;;;;;-3.39;;;;;;;;;;;;"Lomize AL, Pogozheva ID.: Physics-Based Method for Modeling Passive Membrane Permeability and Translocation Pathways of Bioactive Molecules. J Chem Inf Model, Volume 59 (7), 2019";"PerMM web server"
Lamotrigine;MM00383;Nc1nnc(-c2cccc(Cl)c2Cl)c(N)n1;PYZRQGJRPPTADH-UHFFFAOYSA-N;256.1;2.01;3878;DB00555;;CHEMBL741;LEC;CPMM;25;0;"pH=7.4 ,<a href=https://permm.phar.umich.edu/  target=_blank>PerMM web server</a>";;;;;;;;;-4.9;;;;;;;;;;;;"Lomize AL, Pogozheva ID.: Physics-Based Method for Modeling Passive Membrane Permeability and Translocation Pathways of Bioactive Molecules. J Chem Inf Model, Volume 59 (7), 2019";"PerMM web server"
Lansoprazole;MM00384;Cc1c(OCC(F)(F)F)ccnc1CS(=O)c1nc2ccccc2[nH]1;MJIHNNLFOKEZEW-UHFFFAOYSA-N;369.37;3.52;3883;DB00448;;CHEMBL480;LEC;CPMM;25;0;"pH=7.4 ,<a href=https://permm.phar.umich.edu/  target=_blank>PerMM web server</a>";;;;;;;;;-5.75;;;;;;;;;;;;"Lomize AL, Pogozheva ID.: Physics-Based Method for Modeling Passive Membrane Permeability and Translocation Pathways of Bioactive Molecules. J Chem Inf Model, Volume 59 (7), 2019";"PerMM web server"
L-Dopa;MM00746;NC(Cc1ccc(O)c(O)c1)C(=O)O;WTDRDQBEARUVNC-UHFFFAOYSA-N;197.19;0.05;6047;DB01235;DAH;CHEMBL1009;LEC;CPMM;25;+1-1;"pH=7.4 ,<a href=https://permm.phar.umich.edu/  target=_blank>PerMM web server</a>";;;;;;;;;-14.55;;;;;;;;;;;;"Lomize AL, Pogozheva ID.: Physics-Based Method for Modeling Passive Membrane Permeability and Translocation Pathways of Bioactive Molecules. J Chem Inf Model, Volume 59 (7), 2019";"PerMM web server"
L-Leucine;MM00752;CC(C)CC(N)C(=O)O;ROHFNLRQFUQHCH-YFKPBYRVSA-N;131.18;0.44;6106;DB00149;LEU;CHEMBL291962;LEC;CPMM;25;+1-1;"pH=7.4 ,<a href=https://permm.phar.umich.edu/  target=_blank>PerMM web server</a>";;;;;;;;;-10.15;;;;;;;;;;;;"Lomize AL, Pogozheva ID.: Physics-Based Method for Modeling Passive Membrane Permeability and Translocation Pathways of Bioactive Molecules. J Chem Inf Model, Volume 59 (7), 2019";"PerMM web server"
Lisinopril;MM00763;NCCCCC(NC(CCc1ccccc1)C(=O)O)C(=O)N1CCCC1C(=O)O;RLAWWYSOJDYHDC-UHFFFAOYSA-N;405.5;1.24;5362119;DB00722;LPR;CHEMBL1237;LEC;CPMM;25;+2-2;"pH=7.4 ,<a href=https://permm.phar.umich.edu/  target=_blank>PerMM web server</a>";;;;;;;;;-16.1;;;;;;;;;;;;"Lomize AL, Pogozheva ID.: Physics-Based Method for Modeling Passive Membrane Permeability and Translocation Pathways of Bioactive Molecules. J Chem Inf Model, Volume 59 (7), 2019";"PerMM web server"
D-mannitol;MM00386;OCC(O)C(O)C(O)C(O)CO;FBPFZTCFMRRESA-KVTDHHQDSA-N;182.17;-3.59;6251;DB00742;MTL;CHEMBL689;LEC;CPMM;25;0;"pH=7.4 ,<a href=https://permm.phar.umich.edu/  target=_blank>PerMM web server</a>";;;;;;;;;-12.88;;;;;;;;;;;;"Lomize AL, Pogozheva ID.: Physics-Based Method for Modeling Passive Membrane Permeability and Translocation Pathways of Bioactive Molecules. J Chem Inf Model, Volume 59 (7), 2019";"PerMM web server"
Meprobamate;MM00387;CCCC(C)(COC(N)=O)COC(N)=O;NPPQSCRMBWNHMW-UHFFFAOYSA-N;218.25;0.98;4064;DB00371;;CHEMBL979;LEC;CPMM;25;0;"pH=7.4 ,<a href=https://permm.phar.umich.edu/  target=_blank>PerMM web server</a>";;;;;;;;;-8.07;;;;;;;;;;;;"Lomize AL, Pogozheva ID.: Physics-Based Method for Modeling Passive Membrane Permeability and Translocation Pathways of Bioactive Molecules. J Chem Inf Model, Volume 59 (7), 2019";"PerMM web server"
Methanol;MM00063;CO;OKKJLVBELUTLKV-UHFFFAOYSA-N;32.04;-0.39;887;;;;LEC;CPMM;25;0;"pH=7.4 ,<a href=https://permm.phar.umich.edu/  target=_blank>PerMM web server</a>";;;;;;;;;-2.57;;;;;;;;;;;;"Lomize AL, Pogozheva ID.: Physics-Based Method for Modeling Passive Membrane Permeability and Translocation Pathways of Bioactive Molecules. J Chem Inf Model, Volume 59 (7), 2019";"PerMM web server"
Methotrexate;MM00270;CN(Cc1cnc2nc(N)nc(N)c2n1)c1ccc(C(=O)NC(CCC(=O)O)C(=O)O)cc1;FBOZXECLQNJBKD-UHFFFAOYSA-N;454.45;0.27;126941;DB00563;MTX;CHEMBL34259;LEC;CPMM;25;-2;"pH=7.4 ,<a href=https://permm.phar.umich.edu/  target=_blank>PerMM web server</a>";;;;;;;;;-22.47;;;;;;;;;;;;"Lomize AL, Pogozheva ID.: Physics-Based Method for Modeling Passive Membrane Permeability and Translocation Pathways of Bioactive Molecules. J Chem Inf Model, Volume 59 (7), 2019";"PerMM web server"
Methylprednisolone;MM00388;CC1CC2C(C(O)CC3(C)C2CCC3(O)C(=O)CO)C2(C)C=CC(=O)C=C12;VHRSUDSXCMQTMA-UHFFFAOYSA-N;374.48;1.8;6741;DB00959;;CHEMBL650;LEC;CPMM;25;0;"pH=7.4 ,<a href=https://permm.phar.umich.edu/  target=_blank>PerMM web server</a>";;;;;;;;;-4.95;;;;;;;;;;;;"Lomize AL, Pogozheva ID.: Physics-Based Method for Modeling Passive Membrane Permeability and Translocation Pathways of Bioactive Molecules. J Chem Inf Model, Volume 59 (7), 2019";"PerMM web server"
Minoxidil;MM00393;Nc1cc(N2CCCCC2)nc(N)[n+]1[O-];ZFMITUMMTDLWHR-UHFFFAOYSA-N;209.25;-0.13;4201;DB00350;MXD;CHEMBL802;LEC;CPMM;25;0;"pH=7.4 ,<a href=https://permm.phar.umich.edu/  target=_blank>PerMM web server</a>";;;;;;;;;-4.04;;;;;;;;;;;;"Lomize AL, Pogozheva ID.: Physics-Based Method for Modeling Passive Membrane Permeability and Translocation Pathways of Bioactive Molecules. J Chem Inf Model, Volume 59 (7), 2019";"PerMM web server"
Naproxen;MM00672;COc1ccc2cc(C(C)C(=O)O)ccc2c1;CMWTZPSULFXXJA-UHFFFAOYSA-N;230.26;3.04;156391;DB00788;NPS;CHEMBL154;LEC;CPMM;25;-1;"pH=7.4 ,<a href=https://permm.phar.umich.edu/  target=_blank>PerMM web server</a>";;;;;;;;;-3.51;;;;;;;;;;;;"Lomize AL, Pogozheva ID.: Physics-Based Method for Modeling Passive Membrane Permeability and Translocation Pathways of Bioactive Molecules. J Chem Inf Model, Volume 59 (7), 2019";"PerMM web server"
Nicotinamide;MM00396;NC(=O)c1cccnc1;DFPAKSUCGFBDDF-UHFFFAOYSA-N;122.13;0.18;936;DB02701;NCA;CHEMBL1140;LEC;CPMM;25;0;"pH=7.4 ,<a href=https://permm.phar.umich.edu/  target=_blank>PerMM web server</a>";;;;;;;;;-4.14;;;;;;;;;;;;"Lomize AL, Pogozheva ID.: Physics-Based Method for Modeling Passive Membrane Permeability and Translocation Pathways of Bioactive Molecules. J Chem Inf Model, Volume 59 (7), 2019";"PerMM web server"
Norfloxacin;MM00768;CCn1cc(C(=O)O)c(=O)c2cc(F)c(N3CCNCC3)cc21;OGJPXUAPXNRGGI-UHFFFAOYSA-N;319.34;1.27;4539;DB01059;;CHEMBL9;LEC;CPMM;25;+1-1;"pH=7.4 ,<a href=https://permm.phar.umich.edu/  target=_blank>PerMM web server</a>";;;;;;;;;-8.17;;;;;;;;;;;;"Lomize AL, Pogozheva ID.: Physics-Based Method for Modeling Passive Membrane Permeability and Translocation Pathways of Bioactive Molecules. J Chem Inf Model, Volume 59 (7), 2019";"PerMM web server"
Ofloxacin;MM00769;CC1COc2c(N3CCN(C)CC3)c(F)cc3c(=O)c(C(=O)O)cn1c23;GSDSWSVVBLHKDQ-UHFFFAOYSA-N;361.37;1.54;4583;DB01165;;CHEMBL4;LEC;CPMM;25;+1-1;"pH=7.4 ,<a href=https://permm.phar.umich.edu/  target=_blank>PerMM web server</a>";;;;;;;;;-8.67;;;;;;;;;;;;"Lomize AL, Pogozheva ID.: Physics-Based Method for Modeling Passive Membrane Permeability and Translocation Pathways of Bioactive Molecules. J Chem Inf Model, Volume 59 (7), 2019";"PerMM web server"
6-methoxy-2-[(4-methoxy-3,5-dimethylpyridin-2-yl)methylsulfinyl]-1H-benzimidazole;MM00399;COc1ccc2[nH]c(S(=O)Cc3ncc(C)c(OC)c3C)nc2c1;SUBDBMMJDZJVOS-UHFFFAOYSA-N;345.42;2.9;4594;DB00338;;CHEMBL1503;LEC;CPMM;25;0;"pH=7.4 ,<a href=https://permm.phar.umich.edu/  target=_blank>PerMM web server</a>";;;;;;;;;-7.6;;;;;;;;;;;;"Lomize AL, Pogozheva ID.: Physics-Based Method for Modeling Passive Membrane Permeability and Translocation Pathways of Bioactive Molecules. J Chem Inf Model, Volume 59 (7), 2019";"PerMM web server"
Paclitaxel;MM00400;CC(=O)OC1C(=O)C2(C)C(O)CC3OCC3(OC(C)=O)C2C(OC(=O)c2ccccc2)C2(O)CC(OC(=O)C(O)C(NC(=O)c3ccccc3)c3ccccc3)C(C)=C1C2(C)C;RCINICONZNJXQF-UHFFFAOYSA-N;853.92;3.74;36314;DB01229;TA1;CHEMBL428647;LEC;CPMM;25;0;"pH=7.4 ,<a href=https://permm.phar.umich.edu/  target=_blank>PerMM web server</a>";;;;;;;;;-4.37;;;;;;;;;;;;"Lomize AL, Pogozheva ID.: Physics-Based Method for Modeling Passive Membrane Permeability and Translocation Pathways of Bioactive Molecules. J Chem Inf Model, Volume 59 (7), 2019";"PerMM web server"
6-(difluoromethoxy)-2-[(3,4-dimethoxypyridin-2-yl)methylsulfinyl]-1H-benzimidazole;MM00401;COc1ccnc(CS(=O)c2nc3ccc(OC(F)F)cc3[nH]2)c1OC;IQPSEEYGBUAQFF-UHFFFAOYSA-N;383.38;2.88;4679;DB00213;;CHEMBL1502;LEC;CPMM;25;0;"pH=7.4 ,<a href=https://permm.phar.umich.edu/  target=_blank>PerMM web server</a>";;;;;;;;;-10.44;;;;;;;;;;;;"Lomize AL, Pogozheva ID.: Physics-Based Method for Modeling Passive Membrane Permeability and Translocation Pathways of Bioactive Molecules. J Chem Inf Model, Volume 59 (7), 2019";"PerMM web server"
"Phenylacetic Acid";MM00679;O=C(O)Cc1ccccc1;WLJVXDMOQOGPHL-UHFFFAOYSA-N;136.15;1.31;999;DB09269;PAC;CHEMBL1044;LEC;CPMM;25;-1;"pH=7.4 ,<a href=https://permm.phar.umich.edu/  target=_blank>PerMM web server</a>";;;;;;;;;-3.2;;;;;;;;;;;;"Lomize AL, Pogozheva ID.: Physics-Based Method for Modeling Passive Membrane Permeability and Translocation Pathways of Bioactive Molecules. J Chem Inf Model, Volume 59 (7), 2019";"PerMM web server"
L-Phenylalanine;MM00756;NC(Cc1ccccc1)C(=O)O;COLNVLDHVKWLRT-QMMMGPOBSA-N;165.19;0.64;6140;DB00120;PHE;CHEMBL301523;LEC;CPMM;25;+1-1;"pH=7.4 ,<a href=https://permm.phar.umich.edu/  target=_blank>PerMM web server</a>";;;;;;;;;-10.08;;;;;;;;;;;;"Lomize AL, Pogozheva ID.: Physics-Based Method for Modeling Passive Membrane Permeability and Translocation Pathways of Bioactive Molecules. J Chem Inf Model, Volume 59 (7), 2019";"PerMM web server"
Phenytoin;MM00406;O=C1N=C(O)NC1(c1ccccc1)c1ccccc1;CXOFVDLJLONNDW-UHFFFAOYSA-N;252.27;1.97;1775;DB00252;;CHEMBL16;LEC;CPMM;25;0;"pH=7.4 ,<a href=https://permm.phar.umich.edu/  target=_blank>PerMM web server</a>";;;;;;;;;-2.38;;;;;;;;;;;;"Lomize AL, Pogozheva ID.: Physics-Based Method for Modeling Passive Membrane Permeability and Translocation Pathways of Bioactive Molecules. J Chem Inf Model, Volume 59 (7), 2019";"PerMM web server"
"4-Hydroxybenzoic Acid";MM00609;O=C(O)c1ccc(O)cc1;FJKROLUGYXJWQN-UHFFFAOYSA-N;138.12;1.09;135;DB04242;PHB;CHEMBL441343;LEC;CPMM;25;-1;"pH=7.4 ,<a href=https://permm.phar.umich.edu/  target=_blank>PerMM web server</a>";;;;;;;;;-6.08;;;;;;;;;;;;"Lomize AL, Pogozheva ID.: Physics-Based Method for Modeling Passive Membrane Permeability and Translocation Pathways of Bioactive Molecules. J Chem Inf Model, Volume 59 (7), 2019";"PerMM web server"
Piroxicam;MM00682;CN1C(C(=O)Nc2ccccn2)=C(O)c2ccccc2S1(=O)=O;QYSPLQLAKJAUJT-UHFFFAOYSA-N;331.35;1.58;54676228;DB00554;;CHEMBL527;LEC;CPMM;25;-1;"pH=7.4 ,<a href=https://permm.phar.umich.edu/  target=_blank>PerMM web server</a>";;;;;;;;;-8.08;;;;;;;;;;;;"Lomize AL, Pogozheva ID.: Physics-Based Method for Modeling Passive Membrane Permeability and Translocation Pathways of Bioactive Molecules. J Chem Inf Model, Volume 59 (7), 2019";"PerMM web server"
"Pivalic Acid";MM00683;CC(C)(C)C(=O)O;IUGYQRQAERSCNH-UHFFFAOYSA-N;102.13;1.12;6417;;;;LEC;CPMM;25;-1;"pH=7.4 ,<a href=https://permm.phar.umich.edu/  target=_blank>PerMM web server</a>";;;;;;;;;-2.91;;;;;;;;;;;;"Lomize AL, Pogozheva ID.: Physics-Based Method for Modeling Passive Membrane Permeability and Translocation Pathways of Bioactive Molecules. J Chem Inf Model, Volume 59 (7), 2019";"PerMM web server"
2-(cyclohexanecarbonyl)-3,6,7,11b-tetrahydro-1H-pyrazino[2,1-a]isoquinolin-4-one;MM00407;O=C(C1CCCCC1)N1CC(=O)N2CCc3ccccc3C2C1;FSVJFNAIGNNGKK-UHFFFAOYSA-N;312.41;2.53;4891;DB01058;;CHEMBL976;LEC;CPMM;25;0;"pH=7.4 ,<a href=https://permm.phar.umich.edu/  target=_blank>PerMM web server</a>";;;;;;;;;-0.56;;;;;;;;;;;;"Lomize AL, Pogozheva ID.: Physics-Based Method for Modeling Passive Membrane Permeability and Translocation Pathways of Bioactive Molecules. J Chem Inf Model, Volume 59 (7), 2019";"PerMM web server"
Prednisolone;MM00297;CC12C=CC(=O)C=C1CCC1C2C(O)CC2(C)C1CCC2(O)C(=O)CO;OIGNJSKKLXVSLS-UHFFFAOYSA-N;360.45;1.56;5755;DB00860;;CHEMBL131;LEC;CPMM;25;0;"pH=7.4 ,<a href=https://permm.phar.umich.edu/  target=_blank>PerMM web server</a>";;;;;;;;;-5.23;;;;;;;;;;;;"Lomize AL, Pogozheva ID.: Physics-Based Method for Modeling Passive Membrane Permeability and Translocation Pathways of Bioactive Molecules. J Chem Inf Model, Volume 59 (7), 2019";"PerMM web server"
5-ethyl-5-phenyl-1,3-diazinane-4,6-dione;MM00409;CCC1(c2ccccc2)C(=O)NCNC1=O;DQMZLTXERSFNPB-UHFFFAOYSA-N;218.26;0.54;4909;DB00794;;CHEMBL856;LEC;CPMM;25;0;"pH=7.4 ,<a href=https://permm.phar.umich.edu/  target=_blank>PerMM web server</a>";;;;;;;;;-3.36;;;;;;;;;;;;"Lomize AL, Pogozheva ID.: Physics-Based Method for Modeling Passive Membrane Permeability and Translocation Pathways of Bioactive Molecules. J Chem Inf Model, Volume 59 (7), 2019";"PerMM web server"
"Propionic Acid";MM00685;CCC(=O)O;XBDQKXXYIPTUBI-UHFFFAOYSA-N;74.08;0.48;1032;DB03766;PPI;CHEMBL14021;LEC;CPMM;25;-1;"pH=7.4 ,<a href=https://permm.phar.umich.edu/  target=_blank>PerMM web server</a>";;;;;;;;;-3.94;;;;;;;;;;;;"Lomize AL, Pogozheva ID.: Physics-Based Method for Modeling Passive Membrane Permeability and Translocation Pathways of Bioactive Molecules. J Chem Inf Model, Volume 59 (7), 2019";"PerMM web server"
"Propylene Glycol";MM00414;CC(O)CO;DNIAPMSPPWPWGF-UHFFFAOYSA-N;76.1;-0.64;1030;DB01839;;CHEMBL286398;LEC;CPMM;25;0;"pH=7.4 ,<a href=https://permm.phar.umich.edu/  target=_blank>PerMM web server</a>";;;;;;;;;-3.52;;;;;;;;;;;;"Lomize AL, Pogozheva ID.: Physics-Based Method for Modeling Passive Membrane Permeability and Translocation Pathways of Bioactive Molecules. J Chem Inf Model, Volume 59 (7), 2019";"PerMM web server"
6-propyl-2-sulfanylidene-1H-pyrimidin-4-one;MM00415;CCCc1cc(=O)[nH]c(=S)[nH]1;KNAHARQHSZJURB-UHFFFAOYSA-N;170.24;1.38;657298;DB00550;3CJ;CHEMBL1518;LEC;CPMM;25;0;"pH=7.4 ,<a href=https://permm.phar.umich.edu/  target=_blank>PerMM web server</a>";;;;;;;;;-1.66;;;;;;;;;;;;"Lomize AL, Pogozheva ID.: Physics-Based Method for Modeling Passive Membrane Permeability and Translocation Pathways of Bioactive Molecules. J Chem Inf Model, Volume 59 (7), 2019";"PerMM web server"
"4-Methylbenzoic Acid";MM00610;Cc1ccc(C(=O)O)cc1;LPNBBFKOUUSUDB-UHFFFAOYSA-N;136.15;1.69;7470;;;;LEC;CPMM;25;-1;"pH=7.4 ,<a href=https://permm.phar.umich.edu/  target=_blank>PerMM web server</a>";;;;;;;;;-3.08;;;;;;;;;;;;"Lomize AL, Pogozheva ID.: Physics-Based Method for Modeling Passive Membrane Permeability and Translocation Pathways of Bioactive Molecules. J Chem Inf Model, Volume 59 (7), 2019";"PerMM web server"
Quercetin;MM00047;O=c1c(O)c(-c2ccc(O)c(O)c2)oc2cc(O)cc(O)c12;REFJWTPEDVJJIY-UHFFFAOYSA-N;302.24;1.99;5280343;DB04216;QUE;CHEMBL50;LEC;CPMM;25;-1;"pH=7.4 ,<a href=https://permm.phar.umich.edu/  target=_blank>PerMM web server</a>";;;;;;;;;-10.93;;;;;;;;;;;;"Lomize AL, Pogozheva ID.: Physics-Based Method for Modeling Passive Membrane Permeability and Translocation Pathways of Bioactive Molecules. J Chem Inf Model, Volume 59 (7), 2019";"PerMM web server"
Ritonavir;MM00419;CC(C)c1nc(CN(C)C(=O)NC(C(=O)NC(Cc2ccccc2)CC(O)C(Cc2ccccc2)NC(=O)OCc2cncs2)C(C)C)cs1;NCDNCNXCDXHOMX-UHFFFAOYSA-N;720.96;5.91;392622;DB00503;RIT;CHEMBL163;LEC;CPMM;25;0;"pH=7.4 ,<a href=https://permm.phar.umich.edu/  target=_blank>PerMM web server</a>";;;;;;;;;-2.87;;;;;;;;;;;;"Lomize AL, Pogozheva ID.: Physics-Based Method for Modeling Passive Membrane Permeability and Translocation Pathways of Bioactive Molecules. J Chem Inf Model, Volume 59 (7), 2019";"PerMM web server"
"Salicylic Acid";MM00093;O=C(O)c1ccccc1O;YGSDEFSMJLZEOE-UHFFFAOYSA-N;138.12;1.09;338;DB00936;SAL;CHEMBL424;LEC;CPMM;25;-1;"pH=7.4 ,<a href=https://permm.phar.umich.edu/  target=_blank>PerMM web server</a>";;;;;;;;;-7.21;;;;;;;;;;;;"Lomize AL, Pogozheva ID.: Physics-Based Method for Modeling Passive Membrane Permeability and Translocation Pathways of Bioactive Molecules. J Chem Inf Model, Volume 59 (7), 2019";"PerMM web server"
"6-fluoro-1-(4-fluorophenyl)-4-oxo-7-piperazin-1-ylquinoline-3-carboxylic acid";MM00771;O=C(O)c1cn(-c2ccc(F)cc2)c2cc(N3CCNCC3)c(F)cc2c1=O;XBHBWNFJWIASRO-UHFFFAOYSA-N;385.37;2.38;56208;DB11491;;CHEMBL37858;LEC;CPMM;25;+1-1;"pH=7.4 ,<a href=https://permm.phar.umich.edu/  target=_blank>PerMM web server</a>";;;;;;;;;-7.15;;;;;;;;;;;;"Lomize AL, Pogozheva ID.: Physics-Based Method for Modeling Passive Membrane Permeability and Translocation Pathways of Bioactive Molecules. J Chem Inf Model, Volume 59 (7), 2019";"PerMM web server"
Sparfloxacin;MM00772;CC1CN(c2c(F)c(N)c3c(=O)c(C(=O)O)cn(C4CC4)c3c2F)CC(C)N1;DZZWHBIBMUVIIW-UHFFFAOYSA-N;392.41;2.08;60464;DB01208;;CHEMBL850;LEC;CPMM;25;+1-1;"pH=7.4 ,<a href=https://permm.phar.umich.edu/  target=_blank>PerMM web server</a>";;;;;;;;;-8.8;;;;;;;;;;;;"Lomize AL, Pogozheva ID.: Physics-Based Method for Modeling Passive Membrane Permeability and Translocation Pathways of Bioactive Molecules. J Chem Inf Model, Volume 59 (7), 2019";"PerMM web server"
Sucrose;MM00421;OCC1OC(OC2(CO)OC(CO)C(O)C2O)C(O)C(O)C1O;CZMRCDWAGMRECN-UGDNZRGBSA-N;342.3;-5.4;5988;DB02772;SUC;CHEMBL253582;LEC;CPMM;25;0;"pH=7.4 ,<a href=https://permm.phar.umich.edu/  target=_blank>PerMM web server</a>";;;;;;;;;-15.91;;;;;;;;;;;;"Lomize AL, Pogozheva ID.: Physics-Based Method for Modeling Passive Membrane Permeability and Translocation Pathways of Bioactive Molecules. J Chem Inf Model, Volume 59 (7), 2019";"PerMM web server"
Sulfasalazine;MM00690;O=C(O)c1cc(N=Nc2ccc(S(=O)(=O)Nc3ccccn3)cc2)ccc1O;NCEXYHBECQHGNR-UHFFFAOYSA-N;398.4;3.7;5359476;DB00795;SAS;CHEMBL421;LEC;CPMM;25;-1;"pH=7.4 ,<a href=https://permm.phar.umich.edu/  target=_blank>PerMM web server</a>";;;;;;;;;-11.07;;;;;;;;;;;;"Lomize AL, Pogozheva ID.: Physics-Based Method for Modeling Passive Membrane Permeability and Translocation Pathways of Bioactive Molecules. J Chem Inf Model, Volume 59 (7), 2019";"PerMM web server"
Testosterone;MM00423;CC12CCC(=O)C=C1CCC1C2CCC2(C)C(O)CCC12;MUMGGOZAMZWBJJ-UHFFFAOYSA-N;288.43;3.88;6013;DB00624;TES;CHEMBL386630;LEC;CPMM;25;0;"pH=7.4 ,<a href=https://permm.phar.umich.edu/  target=_blank>PerMM web server</a>";;;;;;;;;0.78;;;;;;;;;;;;"Lomize AL, Pogozheva ID.: Physics-Based Method for Modeling Passive Membrane Permeability and Translocation Pathways of Bioactive Molecules. J Chem Inf Model, Volume 59 (7), 2019";"PerMM web server"
Theobromine;MM00424;Cn1cnc2c1c(=O)[nH]c(=O)n2C;YAPQBXQYLJRXSA-UHFFFAOYSA-N;180.17;-1.04;5429;DB01412;37T;CHEMBL1114;LEC;CPMM;25;0;"pH=7.4 ,<a href=https://permm.phar.umich.edu/  target=_blank>PerMM web server</a>";;;;;;;;;-5.99;;;;;;;;;;;;"Lomize AL, Pogozheva ID.: Physics-Based Method for Modeling Passive Membrane Permeability and Translocation Pathways of Bioactive Molecules. J Chem Inf Model, Volume 59 (7), 2019";"PerMM web server"
Theophylline;MM00048;Cn1c(=O)c2[nH]cnc2n(C)c1=O;ZFXYFBGIUFBOJW-UHFFFAOYSA-N;180.17;-1.04;2153;DB00277;TEP;CHEMBL190;LEC;CPMM;25;0;"pH=7.4 ,<a href=https://permm.phar.umich.edu/  target=_blank>PerMM web server</a>";;;;;;;;;-5.89;;;;;;;;;;;;"Lomize AL, Pogozheva ID.: Physics-Based Method for Modeling Passive Membrane Permeability and Translocation Pathways of Bioactive Molecules. J Chem Inf Model, Volume 59 (7), 2019";"PerMM web server"
2-(1,3-thiazol-4-yl)-1h-benzimidazole;MM00425;c1ccc2[nH]c(-c3cscn3)nc2c1;WJCNZQLZVWNLKY-UHFFFAOYSA-N;201.25;2.69;5430;DB00730;TMG;CHEMBL625;LEC;CPMM;25;0;"pH=7.4 ,<a href=https://permm.phar.umich.edu/  target=_blank>PerMM web server</a>";;;;;;;;;-0.29;;;;;;;;;;;;"Lomize AL, Pogozheva ID.: Physics-Based Method for Modeling Passive Membrane Permeability and Translocation Pathways of Bioactive Molecules. J Chem Inf Model, Volume 59 (7), 2019";"PerMM web server"
"Thiocyanic Acid";MM00692;N#CS;ZMZDMBWJUHKJPS-UHFFFAOYSA-N;59.09;0.4;781;;;;LEC;CPMM;25;-1;"pH=7.4 ,<a href=https://permm.phar.umich.edu/  target=_blank>PerMM web server</a>";;;;;;;;;-9.79;;;;;;;;;;;;"Lomize AL, Pogozheva ID.: Physics-Based Method for Modeling Passive Membrane Permeability and Translocation Pathways of Bioactive Molecules. J Chem Inf Model, Volume 59 (7), 2019";"PerMM web server"
Thiourea;MM00426;NC(N)=S;UMGDCJDMYOKAJW-UHFFFAOYSA-N;76.12;-0.81;2723790;;;;LEC;CPMM;25;0;"pH=7.4 ,<a href=https://permm.phar.umich.edu/  target=_blank>PerMM web server</a>";;;;;;;;;-4.08;;;;;;;;;;;;"Lomize AL, Pogozheva ID.: Physics-Based Method for Modeling Passive Membrane Permeability and Translocation Pathways of Bioactive Molecules. J Chem Inf Model, Volume 59 (7), 2019";"PerMM web server"
Thymine;MM00428;Cc1c[nH]c(=O)[nH]c1=O;RWQNBRDOKXIBIV-UHFFFAOYSA-N;126.12;-0.63;1135;DB03462;TDR;CHEMBL993;LEC;CPMM;25;0;"pH=7.4 ,<a href=https://permm.phar.umich.edu/  target=_blank>PerMM web server</a>";;;;;;;;;-5.08;;;;;;;;;;;;"Lomize AL, Pogozheva ID.: Physics-Based Method for Modeling Passive Membrane Permeability and Translocation Pathways of Bioactive Molecules. J Chem Inf Model, Volume 59 (7), 2019";"PerMM web server"
"Tiglic Acid";MM00694;"C/C=C(\C)C(=O)O";UIERETOOQGIECD-ONEGZZNKSA-N;100.12;1.04;125468;;;;LEC;CPMM;25;-1;"pH=7.4 ,<a href=https://permm.phar.umich.edu/  target=_blank>PerMM web server</a>";;;;;;;;;-2.84;;;;;;;;;;;;"Lomize AL, Pogozheva ID.: Physics-Based Method for Modeling Passive Membrane Permeability and Translocation Pathways of Bioactive Molecules. J Chem Inf Model, Volume 59 (7), 2019";"PerMM web server"
Tolbutamide;MM00708;CCCCNC(=O)NS(=O)(=O)c1ccc(C)cc1;JLRGJRBPOGGCBT-UHFFFAOYSA-N;270.35;1.78;5505;DB01124;;CHEMBL782;LEC;CPMM;25;-1;"pH=7.4 ,<a href=https://permm.phar.umich.edu/  target=_blank>PerMM web server</a>";;;;;;;;;-5.1;;;;;;;;;;;;"Lomize AL, Pogozheva ID.: Physics-Based Method for Modeling Passive Membrane Permeability and Translocation Pathways of Bioactive Molecules. J Chem Inf Model, Volume 59 (7), 2019";"PerMM web server"
Urea;MM00065;NC(N)=O;XSQUKJJJFZCRTK-UHFFFAOYSA-N;60.06;-0.98;1176;DB03904;URE;CHEMBL985;LEC;CPMM;25;0;"pH=7.4 ,<a href=https://permm.phar.umich.edu/  target=_blank>PerMM web server</a>";;;;;;;;;-6.56;;;;;;;;;;;;"Lomize AL, Pogozheva ID.: Physics-Based Method for Modeling Passive Membrane Permeability and Translocation Pathways of Bioactive Molecules. J Chem Inf Model, Volume 59 (7), 2019";"PerMM web server"
"Valeric Acid";MM00710;CCCCC(=O)O;NQPDZGIKBAWPEJ-UHFFFAOYSA-N;102.13;1.26;7991;DB02406;LEA;CHEMBL268736;LEC;CPMM;25;-1;"pH=7.4 ,<a href=https://permm.phar.umich.edu/  target=_blank>PerMM web server</a>";;;;;;;;;-3.23;;;;;;;;;;;;"Lomize AL, Pogozheva ID.: Physics-Based Method for Modeling Passive Membrane Permeability and Translocation Pathways of Bioactive Molecules. J Chem Inf Model, Volume 59 (7), 2019";"PerMM web server"
"Valproic Acid";MM00711;CCCC(CCC)C(=O)O;NIJJYAXOARWZEE-UHFFFAOYSA-N;144.21;2.29;3121;DB00313;2PP;CHEMBL109;LEC;CPMM;25;-1;"pH=7.4 ,<a href=https://permm.phar.umich.edu/  target=_blank>PerMM web server</a>";;;;;;;;;-1.87;;;;;;;;;;;;"Lomize AL, Pogozheva ID.: Physics-Based Method for Modeling Passive Membrane Permeability and Translocation Pathways of Bioactive Molecules. J Chem Inf Model, Volume 59 (7), 2019";"PerMM web server"
"Vanillic Acid";MM00712;COc1cc(C(=O)O)ccc1O;WKOLLVMJNQIZCI-UHFFFAOYSA-N;168.15;1.1;8468;DB02130;VNL;CHEMBL120568;LEC;CPMM;25;-1;"pH=7.4 ,<a href=https://permm.phar.umich.edu/  target=_blank>PerMM web server</a>";;;;;;;;;-7.78;;;;;;;;;;;;"Lomize AL, Pogozheva ID.: Physics-Based Method for Modeling Passive Membrane Permeability and Translocation Pathways of Bioactive Molecules. J Chem Inf Model, Volume 59 (7), 2019";"PerMM web server"
Warfarin;MM00095;CC(=O)CC(c1ccccc1)c1c(O)c2ccccc2oc1=O;PJVWKTKQMONHTI-UHFFFAOYSA-N;308.33;3.61;54678486;DB00682;;CHEMBL1464;LEC;CPMM;25;-1;"pH=7.4 ,<a href=https://permm.phar.umich.edu/  target=_blank>PerMM web server</a>";;;;;;;;;-2.23;;;;;;;;;;;;"Lomize AL, Pogozheva ID.: Physics-Based Method for Modeling Passive Membrane Permeability and Translocation Pathways of Bioactive Molecules. J Chem Inf Model, Volume 59 (7), 2019";"PerMM web server"
Xanthine;MM00432;O=c1[nH]c(=O)c2[nH]cnc2[nH]1;LRFVTYWOQMYALW-UHFFFAOYSA-N;152.11;-1.06;1188;DB02134;XAN;CHEMBL1424;LEC;CPMM;25;0;"pH=7.4 ,<a href=https://permm.phar.umich.edu/  target=_blank>PerMM web server</a>";;;;;;;;;-8.85;;;;;;;;;;;;"Lomize AL, Pogozheva ID.: Physics-Based Method for Modeling Passive Membrane Permeability and Translocation Pathways of Bioactive Molecules. J Chem Inf Model, Volume 59 (7), 2019";"PerMM web server"
Zidovudine;MM00077;Cc1cn(C2CC(N=[N+]=[N-])C(CO)O2)c(=O)[nH]c1=O;HBOMLICNUCNMMY-UHFFFAOYSA-N;267.25;-0.2;35370;DB00495;AZZ;CHEMBL129;LEC;CPMM;25;0;"pH=7.4 ,<a href=https://permm.phar.umich.edu/  target=_blank>PerMM web server</a>";;;;;;;;;-6.86;;;;;;;;;;;;"Lomize AL, Pogozheva ID.: Physics-Based Method for Modeling Passive Membrane Permeability and Translocation Pathways of Bioactive Molecules. J Chem Inf Model, Volume 59 (7), 2019";"PerMM web server"
"12-Hydroxydodecanoic Acid";MM00593;O=C(O)CCCCCCCCCCCO;ZDHCZVWCTKTBRY-UHFFFAOYSA-N;216.32;2.96;79034;DB03704;12H;CHEMBL55068;LEC;CPMM;25;-1;"pH=7.4 ,<a href=https://permm.phar.umich.edu/  target=_blank>PerMM web server</a>";;;;;;;;;-3.16;;;;;;;;;;;;"Lomize AL, Pogozheva ID.: Physics-Based Method for Modeling Passive Membrane Permeability and Translocation Pathways of Bioactive Molecules. J Chem Inf Model, Volume 59 (7), 2019";"PerMM web server"
"2-Hydroxybutyric Acid";MM00597;CC[C@H](O)C(=O)O;AFENDNXGAFYKQO-VKHMYHEASA-N;104.11;-0.16;11266;;;;LEC;CPMM;25;-1;"pH=7.4 ,<a href=https://permm.phar.umich.edu/  target=_blank>PerMM web server</a>";;;;;;;;;-7.11;;;;;;;;;;;;"Lomize AL, Pogozheva ID.: Physics-Based Method for Modeling Passive Membrane Permeability and Translocation Pathways of Bioactive Molecules. J Chem Inf Model, Volume 59 (7), 2019";"PerMM web server"
"2-Hydroxycaproic Acid";MM00598;CCCC[C@H](O)C(=O)O;NYHNVHGFPZAZGA-YFKPBYRVSA-N;132.16;0.62;99824;;;;LEC;CPMM;25;-1;"pH=7.4 ,<a href=https://permm.phar.umich.edu/  target=_blank>PerMM web server</a>";;;;;;;;;-6.05;;;;;;;;;;;;"Lomize AL, Pogozheva ID.: Physics-Based Method for Modeling Passive Membrane Permeability and Translocation Pathways of Bioactive Molecules. J Chem Inf Model, Volume 59 (7), 2019";"PerMM web server"
"2-Hydroxynicotinic Acid";MM00599;O=C(O)c1ccc[nH]c1=O;UEYQJQVBUVAELZ-UHFFFAOYSA-N;139.11;0.07;69114;;;;LEC;CPMM;25;-1;"pH=7.4 ,<a href=https://permm.phar.umich.edu/  target=_blank>PerMM web server</a>";;;;;;;;;-8.17;;;;;;;;;;;;"Lomize AL, Pogozheva ID.: Physics-Based Method for Modeling Passive Membrane Permeability and Translocation Pathways of Bioactive Molecules. J Chem Inf Model, Volume 59 (7), 2019";"PerMM web server"
"2-Hydroxyvaleric Acid";MM00600;CCC[C@H](O)C(=O)O;JRHWHSJDIILJAT-BYPYZUCNSA-N;118.13;0.23;98009;;;;LEC;CPMM;25;-1;"pH=7.4 ,<a href=https://permm.phar.umich.edu/  target=_blank>PerMM web server</a>";;;;;;;;;-6.56;;;;;;;;;;;;"Lomize AL, Pogozheva ID.: Physics-Based Method for Modeling Passive Membrane Permeability and Translocation Pathways of Bioactive Molecules. J Chem Inf Model, Volume 59 (7), 2019";"PerMM web server"
"3,4-Dihydroxyphenylacetic Acid";MM00602;O=C(O)Cc1ccc(O)c(O)c1;CFFZDZCDUFSOFZ-UHFFFAOYSA-N;168.15;0.72;547;DB01702;DHY;CHEMBL1284;LEC;CPMM;25;-1;"pH=7.4 ,<a href=https://permm.phar.umich.edu/  target=_blank>PerMM web server</a>";;;;;;;;;-9.45;;;;;;;;;;;;"Lomize AL, Pogozheva ID.: Physics-Based Method for Modeling Passive Membrane Permeability and Translocation Pathways of Bioactive Molecules. J Chem Inf Model, Volume 59 (7), 2019";"PerMM web server"
"3-Hydroxyphenylacetic Acid";MM00604;O=C(O)Cc1cccc(O)c1;FVMDYYGIDFPZAX-UHFFFAOYSA-N;152.15;1.02;12122;;;190035;LEC;CPMM;25;-1;"pH=7.4 ,<a href=https://permm.phar.umich.edu/  target=_blank>PerMM web server</a>";;;;;;;;;-6.36;;;;;;;;;;;;"Lomize AL, Pogozheva ID.: Physics-Based Method for Modeling Passive Membrane Permeability and Translocation Pathways of Bioactive Molecules. J Chem Inf Model, Volume 59 (7), 2019";"PerMM web server"
Adenosine;MM00325;Nc1ncnc2c1ncn2[C@@H]1O[C@H](CO)[C@@H](O)[C@H]1O;OIRDTQYFTABQOQ-KQYNXXCUSA-N;267.25;-1.98;60961;DB00640;ADN;CHEMBL477;LEC;CPMM;25;0;"pH=7.4 ,<a href=https://permm.phar.umich.edu/  target=_blank>PerMM web server</a>";;;;;;;;;-13.1;;;;;;;;;;;;"Lomize AL, Pogozheva ID.: Physics-Based Method for Modeling Passive Membrane Permeability and Translocation Pathways of Bioactive Molecules. J Chem Inf Model, Volume 59 (7), 2019";"PerMM web server"
"Methyl 5-(propylsulfinyl)-1h-benzimidazol-2-ylcarbamate";MM00326;CCCSc1ccc2nc(NC(=O)OC)[nH]c2c1;HXHWSAZORRCQMX-UHFFFAOYSA-N;265.34;3.24;2082;DB00518;ALW;CHEMBL1483;LEC;CPMM;25;0;"pH=7.4 ,<a href=https://permm.phar.umich.edu/  target=_blank>PerMM web server</a>";;;;;;;;;-3.74;;;;;;;;;;;;"Lomize AL, Pogozheva ID.: Physics-Based Method for Modeling Passive Membrane Permeability and Translocation Pathways of Bioactive Molecules. J Chem Inf Model, Volume 59 (7), 2019";"PerMM web server"
Alprazolam;MM00329;Cc1nnc2n1-c1ccc(Cl)cc1C(c1ccccc1)=NC2;IYQBGWNRKQNSIE-LQAWEQHXSA-N;314.82;2.62;2118;DB00404;08H;CHEMBL661;LEC;CPMM;25;0;"pH=7.4 ,<a href=https://permm.phar.umich.edu/  target=_blank>PerMM web server</a>";;;;;;;;;2.2;;;;;;;;;;;;"Lomize AL, Pogozheva ID.: Physics-Based Method for Modeling Passive Membrane Permeability and Translocation Pathways of Bioactive Molecules. J Chem Inf Model, Volume 59 (7), 2019";"PerMM web server"
3-(4-aminophenyl)-3-ethylpiperidine-2,6-dione;MM00330;CC[C@@]1(c2ccc(N)cc2)CCC(=O)NC1=O;ROBVIMPUHSLWNV-ZDUSSCGKSA-N;232.28;1.35;2145;DB00357;;CHEMBL488;LEC;CPMM;25;0;"pH=7.4 ,<a href=https://permm.phar.umich.edu/  target=_blank>PerMM web server</a>";;;;;;;;;-3.93;;;;;;;;;;;;"Lomize AL, Pogozheva ID.: Physics-Based Method for Modeling Passive Membrane Permeability and Translocation Pathways of Bioactive Molecules. J Chem Inf Model, Volume 59 (7), 2019";"PerMM web server"
4-(dimethylamino)-1,5-dimethyl-2-phenylpyrazol-3-one;MM00331;Cc1c(N(C)C)c(=O)n(-c2ccccc2)n1C;RMMXTBMQSGEXHJ-UHFFFAOYSA-N;231.3;1.55;6009;DB01424;;CHEMBL288470;LEC;CPMM;25;0;"pH=7.4 ,<a href=https://permm.phar.umich.edu/  target=_blank>PerMM web server</a>";;;;;;;;;-0.71;;;;;;;;;;;;"Lomize AL, Pogozheva ID.: Physics-Based Method for Modeling Passive Membrane Permeability and Translocation Pathways of Bioactive Molecules. J Chem Inf Model, Volume 59 (7), 2019";"PerMM web server"
"Ascorbic Acid";MM00628;O=C1O[C@H]([C@@H](O)CO)C(O)=C1O;CIWBSHSKHKDKBQ-JLAZNSOCSA-N;176.12;-1.41;54670067;DB00126;ASC;CHEMBL196;LEC;CPMM;25;-1;"pH=7.4 ,<a href=https://permm.phar.umich.edu/  target=_blank>PerMM web server</a>";;;;;;;;;-14.66;;;;;;;;;;;;"Lomize AL, Pogozheva ID.: Physics-Based Method for Modeling Passive Membrane Permeability and Translocation Pathways of Bioactive Molecules. J Chem Inf Model, Volume 59 (7), 2019";"PerMM web server"
Benazepril;MM00629;CCOC(=O)[C@H](CCc1ccccc1)N[C@H]1CCc2ccccc2N(CC(=O)O)C1=O;XPCFTKFZXHTYIP-PMACEKPBSA-N;424.5;2.57;5362124;DB00542;;CHEMBL838;LEC;CPMM;25;-1;"pH=7.4 ,<a href=https://permm.phar.umich.edu/  target=_blank>PerMM web server</a>";;;;;;;;;-3.73;;;;;;;;;;;;"Lomize AL, Pogozheva ID.: Physics-Based Method for Modeling Passive Membrane Permeability and Translocation Pathways of Bioactive Molecules. J Chem Inf Model, Volume 59 (7), 2019";"PerMM web server"
Bendroflumethiazide;MM00336;NS(=O)(=O)c1cc2c(cc1C(F)(F)F)N[C@@H](Cc1ccccc1)NS2(=O)=O;HDWIHXWEUNVBIY-CQSZACIVSA-N;421.42;1.63;2315;DB00436;;CHEMBL1684;LEC;CPMM;25;0;"pH=7.4 ,<a href=https://permm.phar.umich.edu/  target=_blank>PerMM web server</a>";;;;;;;;;-6.24;;;;;;;;;;;;"Lomize AL, Pogozheva ID.: Physics-Based Method for Modeling Passive Membrane Permeability and Translocation Pathways of Bioactive Molecules. J Chem Inf Model, Volume 59 (7), 2019";"PerMM web server"
3-(benzylsulfanylmethyl)-6-chloro-1,1-dioxo-4H-1lambda6,2,4-benzothiadiazine-7-sulfonamide;MM00631;NS(=O)(=O)c1cc2c(cc1Cl)N[C@H](CSCc1ccccc1)NS2(=O)=O;ZUNJWRJEKCRIMZ-HNNXBMFYSA-N;433.96;1.95;2343;DB00562;;CHEMBL1201039;LEC;CPMM;25;-1;"pH=7.4 ,<a href=https://permm.phar.umich.edu/  target=_blank>PerMM web server</a>";;;;;;;;;-8.55;;;;;;;;;;;;"Lomize AL, Pogozheva ID.: Physics-Based Method for Modeling Passive Membrane Permeability and Translocation Pathways of Bioactive Molecules. J Chem Inf Model, Volume 59 (7), 2019";"PerMM web server"
Budesonide;MM00339;CCC[C@@H]1O[C@@H]2C[C@H]3[C@@H]4CCC5=CC(=O)C=C[C@]5(C)[C@H]4[C@@H](O)C[C@]3(C)[C@]2(C(=O)CO)O1;VOVIALXJUBGFJZ-VXKMTNQYSA-N;430.54;2.72;5281004;DB01222;;CHEMBL1370;LEC;CPMM;25;0;"pH=7.4 ,<a href=https://permm.phar.umich.edu/  target=_blank>PerMM web server</a>";;;;;;;;;-3.36;;;;;;;;;;;;"Lomize AL, Pogozheva ID.: Physics-Based Method for Modeling Passive Membrane Permeability and Translocation Pathways of Bioactive Molecules. J Chem Inf Model, Volume 59 (7), 2019";"PerMM web server"
1-butanol;MM00340;CCCCO;LRHPLDYGYMQRHN-UHFFFAOYSA-N;74.12;0.78;263;DB02145;1BO;CHEMBL14245;LEC;CPMM;25;0;"pH=7.4 ,<a href=https://permm.phar.umich.edu/  target=_blank>PerMM web server</a>";;;;;;;;;-0.49;;;;;;;;;;;;"Lomize AL, Pogozheva ID.: Physics-Based Method for Modeling Passive Membrane Permeability and Translocation Pathways of Bioactive Molecules. J Chem Inf Model, Volume 59 (7), 2019";"PerMM web server"
Chlorthalidone;MM00343;NS(=O)(=O)c1cc(C2(O)NC(=O)c3ccccc32)ccc1Cl;JIVPVXMEBJLZRO-UHFFFAOYSA-N;338.77;0.92;2732;DB00310;;CHEMBL1055;LEC;CPMM;25;0;"pH=7.4 ,<a href=https://permm.phar.umich.edu/  target=_blank>PerMM web server</a>";;;;;;;;;-6.91;;;;;;;;;;;;"Lomize AL, Pogozheva ID.: Physics-Based Method for Modeling Passive Membrane Permeability and Translocation Pathways of Bioactive Molecules. J Chem Inf Model, Volume 59 (7), 2019";"PerMM web server"
"Citric Acid";MM00642;O=C(O)CC(O)(CC(=O)O)C(=O)O;KRKNYBCHXYNGOX-UHFFFAOYSA-N;192.12;-1.25;311;DB04272;CIT;CHEMBL1261;LEC;CPMM;25;-3;"pH=7.4 ,<a href=https://permm.phar.umich.edu/  target=_blank>PerMM web server</a>";;;;;;;;;-17.76;;;;;;;;;;;;"Lomize AL, Pogozheva ID.: Physics-Based Method for Modeling Passive Membrane Permeability and Translocation Pathways of Bioactive Molecules. J Chem Inf Model, Volume 59 (7), 2019";"PerMM web server"
1-[(2-chlorophenyl)-diphenylmethyl]imidazole;MM00468;Clc1ccccc1C(c1ccccc1)(c1ccccc1)n1ccnc1;VNFPBHJOKIVQEB-UHFFFAOYSA-N;344.85;5.38;2812;DB00257;CL6;CHEMBL104;LEC;CPMM;25;0;"pH=7.4 ,<a href=https://permm.phar.umich.edu/  target=_blank>PerMM web server</a>";;;;;;;;;4.13;;;;;;;;;;;;"Lomize AL, Pogozheva ID.: Physics-Based Method for Modeling Passive Membrane Permeability and Translocation Pathways of Bioactive Molecules. J Chem Inf Model, Volume 59 (7), 2019";"PerMM web server"
Corticosterone;MM00346;CC12CCC(=O)C=C1CCC1C2C(O)CC2(C)C(C(=O)CO)CCC12;OMFXVFTZEKFJBZ-UHFFFAOYSA-N;346.47;2.67;5753;DB04652;C0R;CHEMBL110739;LEC;CPMM;25;0;"pH=7.4 ,<a href=https://permm.phar.umich.edu/  target=_blank>PerMM web server</a>";;;;;;;;;-3.14;;;;;;;;;;;;"Lomize AL, Pogozheva ID.: Physics-Based Method for Modeling Passive Membrane Permeability and Translocation Pathways of Bioactive Molecules. J Chem Inf Model, Volume 59 (7), 2019";"PerMM web server"
Cortisone;MM00347;CC12CCC(O)C=C1CCC1C2C(=O)CC2(C)C1CCC2(O)C(=O)CO;LPYXTAPPNYMYOP-UHFFFAOYSA-N;362.47;1.78;222786;;;;LEC;CPMM;25;0;"pH=7.4 ,<a href=https://permm.phar.umich.edu/  target=_blank>PerMM web server</a>";;;;;;;;;-5.55;;;;;;;;;;;;"Lomize AL, Pogozheva ID.: Physics-Based Method for Modeling Passive Membrane Permeability and Translocation Pathways of Bioactive Molecules. J Chem Inf Model, Volume 59 (7), 2019";"PerMM web server"
Cyclothiazide;MM00350;NS(=O)(=O)c1cc2c(cc1Cl)NC(C1CC3C=CC1C3)NS2(=O)=O;BOCUKUHCLICSIY-UHFFFAOYSA-N;389.89;1.23;2910;DB00606;CYZ;CHEMBL61593;LEC;CPMM;25;0;"pH=7.4 ,<a href=https://permm.phar.umich.edu/  target=_blank>PerMM web server</a>";;;;;;;;;-6;;;;;;;;;;;;"Lomize AL, Pogozheva ID.: Physics-Based Method for Modeling Passive Membrane Permeability and Translocation Pathways of Bioactive Molecules. J Chem Inf Model, Volume 59 (7), 2019";"PerMM web server"
Danazol;MM00353;C#C[C@]1(O)CC[C@H]2[C@@H]3CCC4=Cc5oncc5C[C@]4(C)[C@H]3CC[C@@]21C;POZRVZJJTULAOH-LHZXLZLDSA-N;337.46;4.22;28417;DB01406;;CHEMBL1479;LEC;CPMM;25;0;"pH=7.4 ,<a href=https://permm.phar.umich.edu/  target=_blank>PerMM web server</a>";;;;;;;;;2.48;;;;;;;;;;;;"Lomize AL, Pogozheva ID.: Physics-Based Method for Modeling Passive Membrane Permeability and Translocation Pathways of Bioactive Molecules. J Chem Inf Model, Volume 59 (7), 2019";"PerMM web server"
"Capric Acid";MM00635;CCCCCCCCCC(=O)O;GHVNFZFCNZKVNT-UHFFFAOYSA-N;172.27;3.21;2969;DB03600;DKA;CHEMBL107498;LEC;CPMM;25;-1;"pH=7.4 ,<a href=https://permm.phar.umich.edu/  target=_blank>PerMM web server</a>";;;;;;;;;-1.22;;;;;;;;;;;;"Lomize AL, Pogozheva ID.: Physics-Based Method for Modeling Passive Membrane Permeability and Translocation Pathways of Bioactive Molecules. J Chem Inf Model, Volume 59 (7), 2019";"PerMM web server"
Cortexone;MM00037;CC12CCC(=O)C=C1CCC1C2CCC2(C)C(C(=O)CO)CCC12;ZESRJSPZRDMNHY-UHFFFAOYSA-N;330.47;3.7;6166;;;;LEC;CPMM;25;0;"pH=7.4 ,<a href=https://permm.phar.umich.edu/  target=_blank>PerMM web server</a>";;;;;;;;;-1.21;;;;;;;;;;;;"Lomize AL, Pogozheva ID.: Physics-Based Method for Modeling Passive Membrane Permeability and Translocation Pathways of Bioactive Molecules. J Chem Inf Model, Volume 59 (7), 2019";"PerMM web server"
4-amino-1-[(2R,5S)-5-(hydroxymethyl)oxolan-2-yl]pyrimidin-2-one;MM00433;Nc1ccn(C2CCC(CO)O2)c(=O)n1;WREGKURFCTUGRC-UHFFFAOYSA-N;211.22;-0.5;24066;DB00943;;CHEMBL853;LEC;CPMM;25;0;"pH=7.4 ,<a href=https://permm.phar.umich.edu/  target=_blank>PerMM web server</a>";;;;;;;;;-7.67;;;;;;;;;;;;"Lomize AL, Pogozheva ID.: Physics-Based Method for Modeling Passive Membrane Permeability and Translocation Pathways of Bioactive Molecules. J Chem Inf Model, Volume 59 (7), 2019";"PerMM web server"
"Dipicolinic Acid";MM00643;O=C(O)c1cccc(C(=O)O)n1;WJJMNDUMQPNECX-UHFFFAOYSA-N;167.12;0.48;10367;DB04267;;;LEC;CPMM;25;-2;"pH=7.4 ,<a href=https://permm.phar.umich.edu/  target=_blank>PerMM web server</a>";;;;;;;;;-13.57;;;;;;;;;;;;"Lomize AL, Pogozheva ID.: Physics-Based Method for Modeling Passive Membrane Permeability and Translocation Pathways of Bioactive Molecules. J Chem Inf Model, Volume 59 (7), 2019";"PerMM web server"
Enoxacin;MM00733;CCn1cc(C(=O)O)c(=O)c2cc(F)c(N3CCNCC3)nc21;IDYZIJYBMGIQMJ-UHFFFAOYSA-N;320.32;0.66;3229;DB00467;;CHEMBL826;LEC;CPMM;25;+1-1;"pH=7.4 ,<a href=https://permm.phar.umich.edu/  target=_blank>PerMM web server</a>";;;;;;;;;-8.36;;;;;;;;;;;;"Lomize AL, Pogozheva ID.: Physics-Based Method for Modeling Passive Membrane Permeability and Translocation Pathways of Bioactive Molecules. J Chem Inf Model, Volume 59 (7), 2019";"PerMM web server"
Enrofloxacin;MM00734;CCN1CCN(c2cc3c(cc2F)c(=O)c(C(=O)O)cn3C2CC2)CC1;SPFYMRJSYKOXGV-UHFFFAOYSA-N;359.4;2.32;71188;;;;LEC;CPMM;25;+1-1;"pH=7.4 ,<a href=https://permm.phar.umich.edu/  target=_blank>PerMM web server</a>";;;;;;;;;-6.92;;;;;;;;;;;;"Lomize AL, Pogozheva ID.: Physics-Based Method for Modeling Passive Membrane Permeability and Translocation Pathways of Bioactive Molecules. J Chem Inf Model, Volume 59 (7), 2019";"PerMM web server"
Felodipine;MM00363;CCOC(=O)C1=C(C)NC(C)=C(C(=O)OC)C1c1cccc(Cl)c1Cl;RZTAMFZIAATZDJ-UHFFFAOYSA-N;384.26;3.96;3333;DB01023;;CHEMBL1480;LEC;CPMM;25;0;"pH=7.4 ,<a href=https://permm.phar.umich.edu/  target=_blank>PerMM web server</a>";;;;;;;;;-1.14;;;;;;;;;;;;"Lomize AL, Pogozheva ID.: Physics-Based Method for Modeling Passive Membrane Permeability and Translocation Pathways of Bioactive Molecules. J Chem Inf Model, Volume 59 (7), 2019";"PerMM web server"
Flurbiprofen;MM00647;CC(C(=O)O)c1ccc(-c2ccccc2)c(F)c1;SYTBZMRGLBWNTM-UHFFFAOYSA-N;244.27;3.68;3394;DB00712;;CHEMBL563;LEC;CPMM;25;-1;"pH=7.4 ,<a href=https://permm.phar.umich.edu/  target=_blank>PerMM web server</a>";;;;;;;;;-2.55;;;;;;;;;;;;"Lomize AL, Pogozheva ID.: Physics-Based Method for Modeling Passive Membrane Permeability and Translocation Pathways of Bioactive Molecules. J Chem Inf Model, Volume 59 (7), 2019";"PerMM web server"
(2R,3S,4R,5S)-hexane-1,2,3,4,5,6-hexol;MM00366;OC[C@H](O)[C@@H](O)[C@@H](O)[C@H](O)CO;FBPFZTCFMRRESA-GUCUJZIJSA-N;182.17;-3.59;11850;;;;LEC;CPMM;25;0;"pH=7.4 ,<a href=https://permm.phar.umich.edu/  target=_blank>PerMM web server</a>";;;;;;;;;-12.79;;;;;;;;;;;;"Lomize AL, Pogozheva ID.: Physics-Based Method for Modeling Passive Membrane Permeability and Translocation Pathways of Bioactive Molecules. J Chem Inf Model, Volume 59 (7), 2019";"PerMM web server"
Gatifloxacin;MM00738;COc1c(N2CCNC(C)C2)c(F)cc2c(=O)c(C(=O)O)cn(C3CC3)c12;XUBOMFCQGDBHNK-UHFFFAOYSA-N;375.4;1.98;5379;DB01044;;CHEMBL31;LEC;CPMM;25;+1-1;"pH=7.4 ,<a href=https://permm.phar.umich.edu/  target=_blank>PerMM web server</a>";;;;;;;;;-8.62;;;;;;;;;;;;"Lomize AL, Pogozheva ID.: Physics-Based Method for Modeling Passive Membrane Permeability and Translocation Pathways of Bioactive Molecules. J Chem Inf Model, Volume 59 (7), 2019";"PerMM web server"
"5-(2,5-dimethylphenoxy)-2,2-dimethylpentanoic acid";MM00650;Cc1ccc(C)c(OCCCC(C)(C)C(=O)O)c1;HEMJJKBWTPKOJG-UHFFFAOYSA-N;250.34;3.57;3463;DB01241;4TX;CHEMBL457;LEC;CPMM;25;-1;"pH=7.4 ,<a href=https://permm.phar.umich.edu/  target=_blank>PerMM web server</a>";;;;;;;;;-1.14;;;;;;;;;;;;"Lomize AL, Pogozheva ID.: Physics-Based Method for Modeling Passive Membrane Permeability and Translocation Pathways of Bioactive Molecules. J Chem Inf Model, Volume 59 (7), 2019";"PerMM web server"
Griseofulvin;MM00369;COC1=CC(=O)CC(C)C12Oc1c(Cl)c(OC)cc(OC)c1C2=O;DDUHZTYCFQRHIY-UHFFFAOYSA-N;352.77;2.81;441140;DB00400;;CHEMBL562;LEC;CPMM;25;0;"pH=7.4 ,<a href=https://permm.phar.umich.edu/  target=_blank>PerMM web server</a>";;;;;;;;;-5.86;;;;;;;;;;;;"Lomize AL, Pogozheva ID.: Physics-Based Method for Modeling Passive Membrane Permeability and Translocation Pathways of Bioactive Molecules. J Chem Inf Model, Volume 59 (7), 2019";"PerMM web server"
Hesperetin;MM00371;COc1ccc(C2CC(=O)c3c(O)cc(O)cc3O2)cc1O;AIONOLUJZLIMTK-AWEZNQCLSA-N;302.28;2.52;72281;DB01094;6JP;CHEMBL399121;LEC;CPMM;25;0;"pH=7.4 ,<a href=https://permm.phar.umich.edu/  target=_blank>PerMM web server</a>";;;;;;;;;-6.35;;;;;;;;;;;;"Lomize AL, Pogozheva ID.: Physics-Based Method for Modeling Passive Membrane Permeability and Translocation Pathways of Bioactive Molecules. J Chem Inf Model, Volume 59 (7), 2019";"PerMM web server"
Propan-2-ol;MM00380;CC(C)O;KFZMGEQAYNKOFK-UHFFFAOYSA-N;60.1;0.39;3776;DB02325;IPA;CHEMBL582;LEC;CPMM;25;0;"pH=7.4 ,<a href=https://permm.phar.umich.edu/  target=_blank>PerMM web server</a>";;;;;;;;;-0.21;;;;;;;;;;;;"Lomize AL, Pogozheva ID.: Physics-Based Method for Modeling Passive Membrane Permeability and Translocation Pathways of Bioactive Molecules. J Chem Inf Model, Volume 59 (7), 2019";"PerMM web server"
Isotretinoin;MM00594;CC(C=CC1=C(C)CCCC1(C)C)=CC=CC(C)=CC(=O)O;SHGAZHPCJJPHSC-UHFFFAOYSA-N;300.44;5.6;5282379;DB00982;;;LEC;CPMM;25;-1;"pH=7.4 ,<a href=https://permm.phar.umich.edu/  target=_blank>PerMM web server</a>";;;;;;;;;1.37;;;;;;;;;;;;"Lomize AL, Pogozheva ID.: Physics-Based Method for Modeling Passive Membrane Permeability and Translocation Pathways of Bioactive Molecules. J Chem Inf Model, Volume 59 (7), 2019";"PerMM web server"
Itraconazole;MM00381;CCC(C)n1ncn(-c2ccc(N3CCN(c4ccc(OCC5COC(Cn6cncn6)(c6ccc(Cl)cc6Cl)O5)cc4)CC3)cc2)c1=O;VHVPQPYKVGDNFY-UHFFFAOYSA-N;705.65;5.58;3793;DB01167;;CHEMBL64391;LEC;CPMM;25;0;"pH=7.4 ,<a href=https://permm.phar.umich.edu/  target=_blank>PerMM web server</a>";;;;;;;;;-0.22;;;;;;;;;;;;"Lomize AL, Pogozheva ID.: Physics-Based Method for Modeling Passive Membrane Permeability and Translocation Pathways of Bioactive Molecules. J Chem Inf Model, Volume 59 (7), 2019";"PerMM web server"
3,5,7-trihydroxy-2-(4-hydroxyphenyl)chromen-4-one;MM00661;O=c1c(O)c(-c2ccc(O)cc2)oc2cc(O)cc(O)c12;IYRMWMYZSQPJKC-UHFFFAOYSA-N;286.24;2.28;5280863;DB01852;KMP;CHEMBL150;LEC;CPMM;25;-1;"pH=7.4 ,<a href=https://permm.phar.umich.edu/  target=_blank>PerMM web server</a>";;;;;;;;;-7.67;;;;;;;;;;;;"Lomize AL, Pogozheva ID.: Physics-Based Method for Modeling Passive Membrane Permeability and Translocation Pathways of Bioactive Molecules. J Chem Inf Model, Volume 59 (7), 2019";"PerMM web server"
"Kynurenic Acid";MM00663;O=C(O)c1cc(=O)c2ccccc2[nH]1;HCZHHEIFKROPDY-UHFFFAOYSA-N;189.17;1.23;3845;DB11937;KYA;CHEMBL299155;LEC;CPMM;25;-1;"pH=7.4 ,<a href=https://permm.phar.umich.edu/  target=_blank>PerMM web server</a>";;;;;;;;;-8.41;;;;;;;;;;;;"Lomize AL, Pogozheva ID.: Physics-Based Method for Modeling Passive Membrane Permeability and Translocation Pathways of Bioactive Molecules. J Chem Inf Model, Volume 59 (7), 2019";"PerMM web server"
4-amino-1-[(2R,5S)-2-(hydroxymethyl)-1,3-oxathiolan-5-yl]pyrimidin-2-one;MM00382;Nc1ccn(C2CSC(CO)O2)c(=O)n1;JTEGQNOMFQHVDC-UHFFFAOYSA-N;229.26;-0.59;60825;DB00709;3TC;CHEMBL141;LEC;CPMM;25;0;"pH=7.4 ,<a href=https://permm.phar.umich.edu/  target=_blank>PerMM web server</a>";;;;;;;;;-8.27;;;;;;;;;;;;"Lomize AL, Pogozheva ID.: Physics-Based Method for Modeling Passive Membrane Permeability and Translocation Pathways of Bioactive Molecules. J Chem Inf Model, Volume 59 (7), 2019";"PerMM web server"
L-Arginine;MM00744;NC(N)=NCCC[C@H](N)C(=O)O;ODKSFYDXXFIFQN-BYPYZUCNSA-N;174.2;-1.55;6322;DB00125;ARG;CHEMBL1485;LEC;CPMM;25;+2-1;"pH=7.4 ,<a href=https://permm.phar.umich.edu/  target=_blank>PerMM web server</a>";;;;;;;;;-20.77;;;;;;;;;;;;"Lomize AL, Pogozheva ID.: Physics-Based Method for Modeling Passive Membrane Permeability and Translocation Pathways of Bioactive Molecules. J Chem Inf Model, Volume 59 (7), 2019";"PerMM web server"
"L-Aspartic Acid";MM00745;N[C@@H](CC(=O)O)C(=O)O;CKLJMWTZIZZHCS-REOHCLBHSA-N;133.1;-1.13;5960;DB00128;IAS;CHEMBL274323;LEC;CPMM;25;+1-2;"pH=7.4 ,<a href=https://permm.phar.umich.edu/  target=_blank>PerMM web server</a>";;;;;;;;;-19.14;;;;;;;;;;;;"Lomize AL, Pogozheva ID.: Physics-Based Method for Modeling Passive Membrane Permeability and Translocation Pathways of Bioactive Molecules. J Chem Inf Model, Volume 59 (7), 2019";"PerMM web server"
Levofloxacin;MM00762;C[C@H]1COc2c(N3CCN(C)CC3)c(F)cc3c(=O)c(C(=O)O)cn1c23;GSDSWSVVBLHKDQ-JTQLQIEISA-N;361.37;1.54;149096;DB01137;LFX;CHEMBL33;LEC;CPMM;25;+1-1;"pH=7.4 ,<a href=https://permm.phar.umich.edu/  target=_blank>PerMM web server</a>";;;;;;;;;-8.4;;;;;;;;;;;;"Lomize AL, Pogozheva ID.: Physics-Based Method for Modeling Passive Membrane Permeability and Translocation Pathways of Bioactive Molecules. J Chem Inf Model, Volume 59 (7), 2019";"PerMM web server"
"L-Glutamic Acid";MM00747;NC(CCC(=O)O)C(=O)O;WHUUTDBJXJRKMK-UHFFFAOYSA-N;147.13;-0.74;33032;DB00142;GGL;CHEMBL575060;LEC;CPMM;25;+1-2;"pH=7.4 ,<a href=https://permm.phar.umich.edu/  target=_blank>PerMM web server</a>";;;;;;;;;-18.19;;;;;;;;;;;;"Lomize AL, Pogozheva ID.: Physics-Based Method for Modeling Passive Membrane Permeability and Translocation Pathways of Bioactive Molecules. J Chem Inf Model, Volume 59 (7), 2019";"PerMM web server"
L-Glutamine;MM00748;NC(=O)CC[C@H](N)C(=O)O;ZDXPYRJPNDTMRX-VKHMYHEASA-N;146.15;-1.34;5961;DB00130;GLN;CHEMBL930;LEC;CPMM;25;+1-1;"pH=7.4 ,<a href=https://permm.phar.umich.edu/  target=_blank>PerMM web server</a>";;;;;;;;;-15.69;;;;;;;;;;;;"Lomize AL, Pogozheva ID.: Physics-Based Method for Modeling Passive Membrane Permeability and Translocation Pathways of Bioactive Molecules. J Chem Inf Model, Volume 59 (7), 2019";"PerMM web server"
L-Histidine;MM00749;N[C@@H](Cc1cnc[nH]1)C(=O)O;HNDVDQJCIGZPNO-YFKPBYRVSA-N;155.16;-0.64;6274;DB00117;HIS;CHEMBL17962;LEC;CPMM;25;+1-1;"pH=7.4 ,<a href=https://permm.phar.umich.edu/  target=_blank>PerMM web server</a>";;;;;;;;;-13.24;;;;;;;;;;;;"Lomize AL, Pogozheva ID.: Physics-Based Method for Modeling Passive Membrane Permeability and Translocation Pathways of Bioactive Molecules. J Chem Inf Model, Volume 59 (7), 2019";"PerMM web server"
L-Isoleucine;MM00750;CC[C@H](C)[C@H](N)C(=O)O;AGPKZVBTJJNPAG-WHFBIAKZSA-N;131.18;0.44;6306;DB00167;ILE;CHEMBL1233584;LEC;CPMM;25;+1-1;"pH=7.4 ,<a href=https://permm.phar.umich.edu/  target=_blank>PerMM web server</a>";;;;;;;;;-10.54;;;;;;;;;;;;"Lomize AL, Pogozheva ID.: Physics-Based Method for Modeling Passive Membrane Permeability and Translocation Pathways of Bioactive Molecules. J Chem Inf Model, Volume 59 (7), 2019";"PerMM web server"
L-Kynurenine;MM00751;Nc1ccccc1C(=O)C[C@H](N)C(=O)O;YGPSJZOEDVAXAB-QMMMGPOBSA-N;208.22;0.25;161166;DB02070;KYN;CHEMBL498416;LEC;CPMM;25;+1-1;"pH=7.4 ,<a href=https://permm.phar.umich.edu/  target=_blank>PerMM web server</a>";;;;;;;;;-14.45;;;;;;;;;;;;"Lomize AL, Pogozheva ID.: Physics-Based Method for Modeling Passive Membrane Permeability and Translocation Pathways of Bioactive Molecules. J Chem Inf Model, Volume 59 (7), 2019";"PerMM web server"
L-Methionine;MM00754;CSCC[C@H](N)C(=O)O;FFEARJCKVFRZRR-BYPYZUCNSA-N;149.22;0.15;6137;DB00134;MET;CHEMBL42336;LEC;CPMM;25;+1-1;"pH=7.4 ,<a href=https://permm.phar.umich.edu/  target=_blank>PerMM web server</a>";;;;;;;;;-10.77;;;;;;;;;;;;"Lomize AL, Pogozheva ID.: Physics-Based Method for Modeling Passive Membrane Permeability and Translocation Pathways of Bioactive Molecules. J Chem Inf Model, Volume 59 (7), 2019";"PerMM web server"
Lomefloxacin;MM00764;CCn1cc(C(=O)O)c(=O)c2cc(F)c(N3CCNC(C)C3)c(F)c21;ZEKZLJVOYLTDKK-UHFFFAOYSA-N;351.35;1.8;3948;DB00978;;CHEMBL561;LEC;CPMM;25;+1-1;"pH=7.4 ,<a href=https://permm.phar.umich.edu/  target=_blank>PerMM web server</a>";;;;;;;;;-8.57;;;;;;;;;;;;"Lomize AL, Pogozheva ID.: Physics-Based Method for Modeling Passive Membrane Permeability and Translocation Pathways of Bioactive Molecules. J Chem Inf Model, Volume 59 (7), 2019";"PerMM web server"
L-Ornithine;MM00755;NCCC[C@H](N)C(=O)O;AHLPHDHHMVZTML-BYPYZUCNSA-N;132.16;-0.86;6262;DB00129;ORN;CHEMBL446143;LEC;CPMM;25;+2-1;"pH=7.4 ,<a href=https://permm.phar.umich.edu/  target=_blank>PerMM web server</a>";;;;;;;;;-16.99;;;;;;;;;;;;"Lomize AL, Pogozheva ID.: Physics-Based Method for Modeling Passive Membrane Permeability and Translocation Pathways of Bioactive Molecules. J Chem Inf Model, Volume 59 (7), 2019";"PerMM web server"
Losartan;MM00665;CCCCc1nc(Cl)c(CO)n1Cc1ccc(-c2ccccc2-c2nn[nH]n2)cc1;PSIFNNKUMBGKDQ-UHFFFAOYSA-N;422.92;4.27;3961;DB00678;LSN;CHEMBL191;LEC;CPMM;25;-1;"pH=7.4 ,<a href=https://permm.phar.umich.edu/  target=_blank>PerMM web server</a>";;;;;;;;;-2.41;;;;;;;;;;;;"Lomize AL, Pogozheva ID.: Physics-Based Method for Modeling Passive Membrane Permeability and Translocation Pathways of Bioactive Molecules. J Chem Inf Model, Volume 59 (7), 2019";"PerMM web server"
L-Threonine;MM00758;C[C@@H](O)[C@H](N)C(=O)O;AYFVYJQAPQTCCC-GBXIJSLDSA-N;119.12;-1.22;6288;DB00156;THR;CHEMBL291747;LEC;CPMM;25;+1-1;"pH=7.4 ,<a href=https://permm.phar.umich.edu/  target=_blank>PerMM web server</a>";;;;;;;;;-13.3;;;;;;;;;;;;"Lomize AL, Pogozheva ID.: Physics-Based Method for Modeling Passive Membrane Permeability and Translocation Pathways of Bioactive Molecules. J Chem Inf Model, Volume 59 (7), 2019";"PerMM web server"
L-Tryptophan;MM00759;N[C@@H](Cc1c[nH]c2ccccc12)C(=O)O;QIVBCDIJIAJPQS-VIFPVBQESA-N;204.23;1.12;6305;DB00150;TRP;CHEMBL54976;LEC;CPMM;25;+1-1;"pH=7.4 ,<a href=https://permm.phar.umich.edu/  target=_blank>PerMM web server</a>";;;;;;;;;-10.6;;;;;;;;;;;;"Lomize AL, Pogozheva ID.: Physics-Based Method for Modeling Passive Membrane Permeability and Translocation Pathways of Bioactive Molecules. J Chem Inf Model, Volume 59 (7), 2019";"PerMM web server"
L-Tyrosine;MM00760;N[C@@H](Cc1ccc(O)cc1)C(=O)O;OUYCCCASQSFEME-QMMMGPOBSA-N;181.19;0.35;6057;DB00135;TYR;CHEMBL925;LEC;CPMM;25;+1-1;"pH=7.4 ,<a href=https://permm.phar.umich.edu/  target=_blank>PerMM web server</a>";;;;;;;;;-12.09;;;;;;;;;;;;"Lomize AL, Pogozheva ID.: Physics-Based Method for Modeling Passive Membrane Permeability and Translocation Pathways of Bioactive Molecules. J Chem Inf Model, Volume 59 (7), 2019";"PerMM web server"
L-Valine;MM00761;CC(C)[C@H](N)C(=O)O;KZSNJWFQEVHDMF-BYPYZUCNSA-N;117.15;0.05;6287;DB00161;VAL;CHEMBL43068;LEC;CPMM;25;+1-1;"pH=7.4 ,<a href=https://permm.phar.umich.edu/  target=_blank>PerMM web server</a>";;;;;;;;;-10.45;;;;;;;;;;;;"Lomize AL, Pogozheva ID.: Physics-Based Method for Modeling Passive Membrane Permeability and Translocation Pathways of Bioactive Molecules. J Chem Inf Model, Volume 59 (7), 2019";"PerMM web server"
"Mefenamic Acid";MM00667;Cc1cccc(Nc2ccccc2C(=O)O)c1C;HYYBABOKPJLUIN-UHFFFAOYSA-N;241.29;3.75;4044;DB00784;ID8;CHEMBL686;LEC;CPMM;25;-1;"pH=7.4 ,<a href=https://permm.phar.umich.edu/  target=_blank>PerMM web server</a>";;;;;;;;;-2.46;;;;;;;;;;;;"Lomize AL, Pogozheva ID.: Physics-Based Method for Modeling Passive Membrane Permeability and Translocation Pathways of Bioactive Molecules. J Chem Inf Model, Volume 59 (7), 2019";"PerMM web server"
"(2S)-2-amino-3-[4-[bis(2-chloroethyl)amino]phenyl]propanoic acid";MM00766;NC(Cc1ccc(N(CCCl)CCCl)cc1)C(=O)O;SGDBTWWWUNNDEQ-UHFFFAOYSA-N;305.21;1.93;460612;DB01042;;CHEMBL852;LEC;CPMM;25;+1-1;"pH=7.4 ,<a href=https://permm.phar.umich.edu/  target=_blank>PerMM web server</a>";;;;;;;;;-9.79;;;;;;;;;;;;"Lomize AL, Pogozheva ID.: Physics-Based Method for Modeling Passive Membrane Permeability and Translocation Pathways of Bioactive Molecules. J Chem Inf Model, Volume 59 (7), 2019";"PerMM web server"
Metolazone;MM00390;Cc1ccccc1N1C(=O)c2cc(S(N)(=O)=O)c(Cl)cc2NC1C;AQCHWTWZEMGIFD-UHFFFAOYSA-N;365.84;2.71;4170;DB00524;;CHEMBL878;LEC;CPMM;25;0;"pH=7.4 ,<a href=https://permm.phar.umich.edu/  target=_blank>PerMM web server</a>";;;;;;;;;-3.6;;;;;;;;;;;;"Lomize AL, Pogozheva ID.: Physics-Based Method for Modeling Passive Membrane Permeability and Translocation Pathways of Bioactive Molecules. J Chem Inf Model, Volume 59 (7), 2019";"PerMM web server"
Metronidazole;MM00391;Cc1ncc([N+](=O)[O-])n1CCO;VAOCPAMSLUNLGC-UHFFFAOYSA-N;171.16;0.09;4173;DB00916;2MN;CHEMBL137;LEC;CPMM;25;0;"pH=7.4 ,<a href=https://permm.phar.umich.edu/  target=_blank>PerMM web server</a>";;;;;;;;;-3.74;;;;;;;;;;;;"Lomize AL, Pogozheva ID.: Physics-Based Method for Modeling Passive Membrane Permeability and Translocation Pathways of Bioactive Molecules. J Chem Inf Model, Volume 59 (7), 2019";"PerMM web server"
Mifepristone;MM00392;CC#CC1(O)CCC2C3CCC4=CC(=O)CCC4=C3C(c3ccc(N(C)C)cc3)CC21C;VKHAHZOOUSRJNA-UHFFFAOYSA-N;429.6;5.41;55245;DB00834;486;CHEMBL1276308;LEC;CPMM;25;0;"pH=7.4 ,<a href=https://permm.phar.umich.edu/  target=_blank>PerMM web server</a>";;;;;;;;;1.5;;;;;;;;;;;;"Lomize AL, Pogozheva ID.: Physics-Based Method for Modeling Passive Membrane Permeability and Translocation Pathways of Bioactive Molecules. J Chem Inf Model, Volume 59 (7), 2019";"PerMM web server"
Moxifloxacin;MM00767;COc1c(N2C[C@@H]3CCCN[C@@H]3C2)c(F)cc2c(=O)c(C(=O)O)cn(C3CC3)c12;FABPRXSRWADJSP-MEDUHNTESA-N;401.44;2.37;152946;DB00218;MFX;CHEMBL32;LEC;CPMM;25;+1-1;"pH=7.4 ,<a href=https://permm.phar.umich.edu/  target=_blank>PerMM web server</a>";;;;;;;;;-8.42;;;;;;;;;;;;"Lomize AL, Pogozheva ID.: Physics-Based Method for Modeling Passive Membrane Permeability and Translocation Pathways of Bioactive Molecules. J Chem Inf Model, Volume 59 (7), 2019";"PerMM web server"
"Nalidixic Acid";MM00671;CCn1cc(C(=O)O)c(=O)c2ccc(C)nc21;MHWLWQUZZRMNGJ-UHFFFAOYSA-N;232.24;1.42;4421;DB00779;NIX;CHEMBL5;LEC;CPMM;25;-1;"pH=7.4 ,<a href=https://permm.phar.umich.edu/  target=_blank>PerMM web server</a>";;;;;;;;;-4.04;;;;;;;;;;;;"Lomize AL, Pogozheva ID.: Physics-Based Method for Modeling Passive Membrane Permeability and Translocation Pathways of Bioactive Molecules. J Chem Inf Model, Volume 59 (7), 2019";"PerMM web server"
Butyramide;MM00059;CCCC(N)=O;DNSISZSEWVHGLH-UHFFFAOYSA-N;87.12;0.27;10927;DB02121;BMD;CHEMBL1231396;LEC;CPMM;25;0;"pH=7.4 ,<a href=https://permm.phar.umich.edu/  target=_blank>PerMM web server</a>";;;;;;;;;-2.17;;;;;;;;;;;;"Lomize AL, Pogozheva ID.: Physics-Based Method for Modeling Passive Membrane Permeability and Translocation Pathways of Bioactive Molecules. J Chem Inf Model, Volume 59 (7), 2019";"PerMM web server"
"Dimethyl 2,6-dimethyl-4-(2-nitrophenyl)-1,4-dihydropyridine-3,5-dicarboxylate";MM00397;COC(=O)C1=C(C)NC(C)=C(C(=O)OC)C1c1ccccc1[N+](=O)[O-];HYIMSNHJOBLJNT-UHFFFAOYSA-N;346.34;2.18;4485;DB01115;;CHEMBL193;LEC;CPMM;25;0;"pH=7.4 ,<a href=https://permm.phar.umich.edu/  target=_blank>PerMM web server</a>";;;;;;;;;-2.2;;;;;;;;;;;;"Lomize AL, Pogozheva ID.: Physics-Based Method for Modeling Passive Membrane Permeability and Translocation Pathways of Bioactive Molecules. J Chem Inf Model, Volume 59 (7), 2019";"PerMM web server"
Nitrendipine;MM00398;CCOC(=O)C1=C(C)NC(C)=C(C(=O)OC)C1c1cccc([N+](=O)[O-])c1;PVHUJELLJLJGLN-UHFFFAOYSA-N;360.37;2.57;4507;DB01054;;CHEMBL475534;LEC;CPMM;25;0;"pH=7.4 ,<a href=https://permm.phar.umich.edu/  target=_blank>PerMM web server</a>";;;;;;;;;-1.18;;;;;;;;;;;;"Lomize AL, Pogozheva ID.: Physics-Based Method for Modeling Passive Membrane Permeability and Translocation Pathways of Bioactive Molecules. J Chem Inf Model, Volume 59 (7), 2019";"PerMM web server"
Pefloxacin;MM00770;CCn1cc(C(=O)O)c(=O)c2cc(F)c(N3CCN(C)CC3)cc21;FHFYDNQZQSQIAI-UHFFFAOYSA-N;333.36;1.61;51081;DB00487;;CHEMBL267648;LEC;CPMM;25;+1-1;"pH=7.4 ,<a href=https://permm.phar.umich.edu/  target=_blank>PerMM web server</a>";;;;;;;;;-6.75;;;;;;;;;;;;"Lomize AL, Pogozheva ID.: Physics-Based Method for Modeling Passive Membrane Permeability and Translocation Pathways of Bioactive Molecules. J Chem Inf Model, Volume 59 (7), 2019";"PerMM web server"
2-phenylethylhydrazine;MM00404;NNCCc1ccccc1;RMUCZJUITONUFY-UHFFFAOYSA-N;136.2;0.69;3675;DB00780;;CHEMBL1089;LEC;CPMM;25;0;"pH=7.4 ,<a href=https://permm.phar.umich.edu/  target=_blank>PerMM web server</a>";;;;;;;;;2.86;;;;;;;;;;;;"Lomize AL, Pogozheva ID.: Physics-Based Method for Modeling Passive Membrane Permeability and Translocation Pathways of Bioactive Molecules. J Chem Inf Model, Volume 59 (7), 2019";"PerMM web server"
4-butyl-1,2-diphenylpyrazolidine-3,5-dione;MM00680;CCCCC1C(=O)N(c2ccccc2)N(c2ccccc2)C1=O;VYMDGNCVAMGZFE-UHFFFAOYSA-N;308.38;3.79;4781;DB00812;P1Z;CHEMBL101;LEC;CPMM;25;-1;"pH=7.4 ,<a href=https://permm.phar.umich.edu/  target=_blank>PerMM web server</a>";;;;;;;;;-0.88;;;;;;;;;;;;"Lomize AL, Pogozheva ID.: Physics-Based Method for Modeling Passive Membrane Permeability and Translocation Pathways of Bioactive Molecules. J Chem Inf Model, Volume 59 (7), 2019";"PerMM web server"
Phloretin;MM00681;O=C(CCc1ccc(O)cc1)c1c(O)cc(O)cc1O;VGEREEWJJVICBM-UHFFFAOYSA-N;274.27;2.32;4788;DB07810;G50;CHEMBL45068;LEC;CPMM;25;-1;"pH=7.4 ,<a href=https://permm.phar.umich.edu/  target=_blank>PerMM web server</a>";;;;;;;;;-6.77;;;;;;;;;;;;"Lomize AL, Pogozheva ID.: Physics-Based Method for Modeling Passive Membrane Permeability and Translocation Pathways of Bioactive Molecules. J Chem Inf Model, Volume 59 (7), 2019";"PerMM web server"
Prednisone;MM00408;C[C@]12CC(=O)[C@H]3[C@@H](CCC4=CC(=O)C=C[C@@]43C)[C@@H]1CC[C@]2(O)C(=O)CO;XOFYZVNMUHMLCC-ZPOLXVRWSA-N;358.43;1.77;5865;DB00635;PDN;CHEMBL635;LEC;CPMM;25;0;"pH=7.4 ,<a href=https://permm.phar.umich.edu/  target=_blank>PerMM web server</a>";;;;;;;;;-5.69;;;;;;;;;;;;"Lomize AL, Pogozheva ID.: Physics-Based Method for Modeling Passive Membrane Permeability and Translocation Pathways of Bioactive Molecules. J Chem Inf Model, Volume 59 (7), 2019";"PerMM web server"
"4-(dipropylsulfamoyl)benzoic acid";MM00684;CCCN(CCC)S(=O)(=O)c1ccc(C(=O)O)cc1;DBABZHXKTCFAPX-UHFFFAOYSA-N;285.37;2.2;4911;DB01032;;CHEMBL897;LEC;CPMM;25;-1;"pH=7.4 ,<a href=https://permm.phar.umich.edu/  target=_blank>PerMM web server</a>";;;;;;;;;-6.18;;;;;;;;;;;;"Lomize AL, Pogozheva ID.: Physics-Based Method for Modeling Passive Membrane Permeability and Translocation Pathways of Bioactive Molecules. J Chem Inf Model, Volume 59 (7), 2019";"PerMM web server"
2,6-ditert-butyl-4-[2-(3,5-ditert-butyl-4-hydroxyphenyl)sulfanylpropan-2-ylsulfanyl]phenol;MM00410;CC(C)(Sc1cc(C(C)(C)C)c(O)c(C(C)(C)C)c1)Sc1cc(C(C)(C)C)c(O)c(C(C)(C)C)c1;FYPMFJGVHOHGLL-UHFFFAOYSA-N;516.86;9.91;4912;DB01599;;CHEMBL608;LEC;CPMM;25;0;"pH=7.4 ,<a href=https://permm.phar.umich.edu/  target=_blank>PerMM web server</a>";;;;;;;;;5.56;;;;;;;;;;;;"Lomize AL, Pogozheva ID.: Physics-Based Method for Modeling Passive Membrane Permeability and Translocation Pathways of Bioactive Molecules. J Chem Inf Model, Volume 59 (7), 2019";"PerMM web server"
4-[(2-methylhydrazinyl)methyl]-N-propan-2-ylbenzamide;MM00411;CNNCc1ccc(C(=O)NC(C)C)cc1;CPTBDICYNRMXFX-UHFFFAOYSA-N;221.3;1.05;4915;DB01168;;CHEMBL1321;LEC;CPMM;25;0;"pH=7.4 ,<a href=https://permm.phar.umich.edu/  target=_blank>PerMM web server</a>";;;;;;;;;-0.77;;;;;;;;;;;;"Lomize AL, Pogozheva ID.: Physics-Based Method for Modeling Passive Membrane Permeability and Translocation Pathways of Bioactive Molecules. J Chem Inf Model, Volume 59 (7), 2019";"PerMM web server"
Progesterone;MM00198;CC(=O)C1CCC2C3CCC4=CC(=O)CCC4(C)C3CCC12C;RJKFOVLPORLFTN-UHFFFAOYSA-N;314.47;4.72;5994;DB00396;STR;CHEMBL103;LEC;CPMM;25;0;"pH=7.4 ,<a href=https://permm.phar.umich.edu/  target=_blank>PerMM web server</a>";;;;;;;;;1.83;;;;;;;;;;;;"Lomize AL, Pogozheva ID.: Physics-Based Method for Modeling Passive Membrane Permeability and Translocation Pathways of Bioactive Molecules. J Chem Inf Model, Volume 59 (7), 2019";"PerMM web server"
1-Propanol;MM00061;CCCO;BDERNNFJNOPAEC-UHFFFAOYSA-N;60.1;0.39;1031;DB03175;POL;CHEMBL14687;LEC;CPMM;25;0;"pH=7.4 ,<a href=https://permm.phar.umich.edu/  target=_blank>PerMM web server</a>";;;;;;;;;-0.84;;;;;;;;;;;;"Lomize AL, Pogozheva ID.: Physics-Based Method for Modeling Passive Membrane Permeability and Translocation Pathways of Bioactive Molecules. J Chem Inf Model, Volume 59 (7), 2019";"PerMM web server"
"Quinolinic Acid";MM00686;O=C(O)c1cccnc1C(=O)O;GJAWHXHKYYXBSV-UHFFFAOYSA-N;167.12;0.48;1066;DB01796;NTM;CHEMBL286204;LEC;CPMM;25;-2;"pH=7.4 ,<a href=https://permm.phar.umich.edu/  target=_blank>PerMM web server</a>";;;;;;;;;-13.32;;;;;;;;;;;;"Lomize AL, Pogozheva ID.: Physics-Based Method for Modeling Passive Membrane Permeability and Translocation Pathways of Bioactive Molecules. J Chem Inf Model, Volume 59 (7), 2019";"PerMM web server"
Resveratrol;MM00418;Oc1ccc(C=Cc2cc(O)cc(O)c2)cc1;LUKBXSAWLPMMSZ-UHFFFAOYSA-N;228.25;2.97;445154;DB06273;;CHEMBL1237022;LEC;CPMM;25;0;"pH=7.4 ,<a href=https://permm.phar.umich.edu/  target=_blank>PerMM web server</a>";;;;;;;;;-2.86;;;;;;;;;;;;"Lomize AL, Pogozheva ID.: Physics-Based Method for Modeling Passive Membrane Permeability and Translocation Pathways of Bioactive Molecules. J Chem Inf Model, Volume 59 (7), 2019";"PerMM web server"
"Rosmarinic Acid";MM00687;O=C(/C=C/c1ccc(O)c(O)c1)O[C@H](Cc1ccc(O)c(O)c1)C(=O)O;DOUMFZQKYFQNTF-WUTVXBCWSA-N;360.32;1.76;5281792;;;;LEC;CPMM;25;-1;"pH=7.4 ,<a href=https://permm.phar.umich.edu/  target=_blank>PerMM web server</a>";;;;;;;;;-14.31;;;;;;;;;;;;"Lomize AL, Pogozheva ID.: Physics-Based Method for Modeling Passive Membrane Permeability and Translocation Pathways of Bioactive Molecules. J Chem Inf Model, Volume 59 (7), 2019";"PerMM web server"
"Sebacic Acid";MM00689;O=C(O)CCCCCCCCC(=O)O;CXMXRPHRNRROMY-UHFFFAOYSA-N;202.25;2.28;5192;DB07645;DEC;CHEMBL1232164;LEC;CPMM;25;-1;"pH=7.4 ,<a href=https://permm.phar.umich.edu/  target=_blank>PerMM web server</a>";;;;;;;;;-6.88;;;;;;;;;;;;"Lomize AL, Pogozheva ID.: Physics-Based Method for Modeling Passive Membrane Permeability and Translocation Pathways of Bioactive Molecules. J Chem Inf Model, Volume 59 (7), 2019";"PerMM web server"
L-Serine;MM00757;N[C@@H](CO)C(=O)O;MTCFGRXMJLQNBG-REOHCLBHSA-N;105.09;-1.61;5951;DB00133;SER;CHEMBL11298;LEC;CPMM;25;+1-1;"pH=7.4 ,<a href=https://permm.phar.umich.edu/  target=_blank>PerMM web server</a>";;;;;;;;;-14.46;;;;;;;;;;;;"Lomize AL, Pogozheva ID.: Physics-Based Method for Modeling Passive Membrane Permeability and Translocation Pathways of Bioactive Molecules. J Chem Inf Model, Volume 59 (7), 2019";"PerMM web server"
7-chloro-3-hydroxy-1-methyl-5-phenyl-3H-1,4-benzodiazepin-2-one;MM00422;CN1C(=O)C(O)N=C(c2ccccc2)c2cc(Cl)ccc21;SEQDDYPDSLOBDC-UHFFFAOYSA-N;300.75;2.47;5391;DB00231;;CHEMBL967;LEC;CPMM;25;0;"pH=7.4 ,<a href=https://permm.phar.umich.edu/  target=_blank>PerMM web server</a>";;;;;;;;;-2.39;;;;;;;;;;;;"Lomize AL, Pogozheva ID.: Physics-Based Method for Modeling Passive Membrane Permeability and Translocation Pathways of Bioactive Molecules. J Chem Inf Model, Volume 59 (7), 2019";"PerMM web server"
L-deoxythymidine;MM00427;Cc1cn([C@H]2C[C@H](O)[C@@H](CO)O2)c(=O)[nH]c1=O;IQFYYKKMVGJFEH-XLPZGREQSA-N;242.23;-1.51;5789;DB01265;LLT;CHEMBL374731;LEC;CPMM;25;0;"pH=7.4 ,<a href=https://permm.phar.umich.edu/  target=_blank>PerMM web server</a>";;;;;;;;;-9.73;;;;;;;;;;;;"Lomize AL, Pogozheva ID.: Physics-Based Method for Modeling Passive Membrane Permeability and Translocation Pathways of Bioactive Molecules. J Chem Inf Model, Volume 59 (7), 2019";"PerMM web server"
"(3R)-1-[4,4-bis(3-methylthiophen-2-yl)but-3-enyl]piperidine-3-carboxylic acid";MM00773;Cc1ccsc1C(=CCCN1CCCC(C(=O)O)C1)c1sccc1C;PBJUNZJWGZTSKL-UHFFFAOYSA-N;375.56;5.04;60648;DB00906;;CHEMBL1027;LEC;CPMM;25;+1-1;"pH=7.4 ,<a href=https://permm.phar.umich.edu/  target=_blank>PerMM web server</a>";;;;;;;;;-4.49;;;;;;;;;;;;"Lomize AL, Pogozheva ID.: Physics-Based Method for Modeling Passive Membrane Permeability and Translocation Pathways of Bioactive Molecules. J Chem Inf Model, Volume 59 (7), 2019";"PerMM web server"
1-[4-(3-methylanilino)pyridin-3-yl]sulfonyl-3-propan-2-ylurea;MM00709;Cc1cccc(Nc2ccncc2S(=O)(=O)NC(=O)NC(C)C)c1;NGBFQHCMQULJNZ-UHFFFAOYSA-N;348.43;2.53;41781;DB00214;;CHEMBL1148;LEC;CPMM;25;-1;"pH=7.4 ,<a href=https://permm.phar.umich.edu/  target=_blank>PerMM web server</a>";;;;;;;;;-6.29;;;;;;;;;;;;"Lomize AL, Pogozheva ID.: Physics-Based Method for Modeling Passive Membrane Permeability and Translocation Pathways of Bioactive Molecules. J Chem Inf Model, Volume 59 (7), 2019";"PerMM web server"
2-[3-[4-(3-chlorophenyl)piperazin-1-yl]propyl]-[1,2,4]triazolo[4,3-a]pyridin-3-one;MM00576;O=c1n(CCCN2CCN(c3cccc(Cl)c3)CC2)nc2ccccn12;PHLBKPHSAVXXEF-UHFFFAOYSA-N;371.87;2.36;5533;DB00656;;CHEMBL621;LEC;CPMM;25;0;"pH=7.4 ,<a href=https://permm.phar.umich.edu/  target=_blank>PerMM web server</a>";;;;;;;;;-0.97;;;;;;;;;;;;"Lomize AL, Pogozheva ID.: Physics-Based Method for Modeling Passive Membrane Permeability and Translocation Pathways of Bioactive Molecules. J Chem Inf Model, Volume 59 (7), 2019";"PerMM web server"
Triamcinolone;MM00307;CC12C=CC(=O)C=C1CCC1C3CC(O)C(O)(C(=O)CO)C3(C)CC(O)C12F;GFNANZIMVAIWHM-OBYCQNJPSA-N;394.44;0.62;31307;DB00620;;CHEMBL1451;LEC;CPMM;25;0;"pH=7.4 ,<a href=https://permm.phar.umich.edu/  target=_blank>PerMM web server</a>";;;;;;;;;-7.94;;;;;;;;;;;;"Lomize AL, Pogozheva ID.: Physics-Based Method for Modeling Passive Membrane Permeability and Translocation Pathways of Bioactive Molecules. J Chem Inf Model, Volume 59 (7), 2019";"PerMM web server"
2,5,9-trimethylfuro[3,2-g]chromen-7-one;MM00429;Cc1cc2cc3c(C)cc(=O)oc3c(C)c2o1;FMHHVULEAZTJMA-UHFFFAOYSA-N;228.25;3.46;5585;DB04571;;CHEMBL1475;LEC;CPMM;25;0;"pH=7.4 ,<a href=https://permm.phar.umich.edu/  target=_blank>PerMM web server</a>";;;;;;;;;2.06;;;;;;;;;;;;"Lomize AL, Pogozheva ID.: Physics-Based Method for Modeling Passive Membrane Permeability and Translocation Pathways of Bioactive Molecules. J Chem Inf Model, Volume 59 (7), 2019";"PerMM web server"
Trovafloxacin;MM00774;NC1[C@@H]2CN(c3nc4c(cc3F)c(=O)c(C(=O)O)cn4-c3ccc(F)cc3F)C[C@H]12;WVPSKSLAZQPAKQ-SOSAQKQKSA-N;416.36;1.89;62959;DB00685;TR6;CHEMBL428;LEC;CPMM;25;+1-1;"pH=7.4 ,<a href=https://permm.phar.umich.edu/  target=_blank>PerMM web server</a>";;;;;;;;;-7.74;;;;;;;;;;;;"Lomize AL, Pogozheva ID.: Physics-Based Method for Modeling Passive Membrane Permeability and Translocation Pathways of Bioactive Molecules. J Chem Inf Model, Volume 59 (7), 2019";"PerMM web server"
4-(5-methyl-3-phenylisoxazol-4-yl)benzenesulfonamide;MM00430;Cc1onc(-c2ccccc2)c1-c1ccc(S(N)(=O)=O)cc1;LNPDTQAFDNKSHK-UHFFFAOYSA-N;314.37;2.96;119607;DB00580;COX;CHEMBL865;LEC;CPMM;25;0;"pH=7.4 ,<a href=https://permm.phar.umich.edu/  target=_blank>PerMM web server</a>";;;;;;;;;-0.73;;;;;;;;;;;;"Lomize AL, Pogozheva ID.: Physics-Based Method for Modeling Passive Membrane Permeability and Translocation Pathways of Bioactive Molecules. J Chem Inf Model, Volume 59 (7), 2019";"PerMM web server"
Zaleplon;MM00434;CCN(C(C)=O)c1cccc(-c2ccnc3c(C#N)cnn23)c1;HUNXMJYCHXQEGX-UHFFFAOYSA-N;305.34;2.64;5719;DB00962;;CHEMBL1521;LEC;CPMM;25;0;"pH=7.4 ,<a href=https://permm.phar.umich.edu/  target=_blank>PerMM web server</a>";;;;;;;;;-2.13;;;;;;;;;;;;"Lomize AL, Pogozheva ID.: Physics-Based Method for Modeling Passive Membrane Permeability and Translocation Pathways of Bioactive Molecules. J Chem Inf Model, Volume 59 (7), 2019";"PerMM web server"
1,4-Butanediol;MM00314;OCCCCO;WERYXYBDKMZEQL-UHFFFAOYSA-N;90.12;-0.25;8064;DB01955;BU1;CHEMBL171623;LEC;CPMM;25;0;"pH=7.4 ,<a href=https://permm.phar.umich.edu/  target=_blank>PerMM web server</a>";;;;;;;;;-4.03;;;;;;;;;;;;"Lomize AL, Pogozheva ID.: Physics-Based Method for Modeling Passive Membrane Permeability and Translocation Pathways of Bioactive Molecules. J Chem Inf Model, Volume 59 (7), 2019";"PerMM web server"
2,3-Dideoxyadenosine;MM00318;Nc1ncnc2c1ncn2[C@H]1CC[C@@H](CO)O1;WVXRAFOPTSTNLL-NKWVEPMBSA-N;235.25;0.08;20039;;;;LEC;CPMM;25;0;"pH=7.4 ,<a href=https://permm.phar.umich.edu/  target=_blank>PerMM web server</a>";;;;;;;;;-6.26;;;;;;;;;;;;"Lomize AL, Pogozheva ID.: Physics-Based Method for Modeling Passive Membrane Permeability and Translocation Pathways of Bioactive Molecules. J Chem Inf Model, Volume 59 (7), 2019";"PerMM web server"
"9-Anthroic Acid";MM00612;O=C(O)c1c2ccccc2cc2ccccc12;XGWFJBFNAQHLEF-UHFFFAOYSA-N;222.24;3.69;2201;;;;LEC;CPMM;25;-1;"pH=7.4 ,<a href=https://permm.phar.umich.edu/  target=_blank>PerMM web server</a>";;;;;;;;;-2.23;;;;;;;;;;;;"Lomize AL, Pogozheva ID.: Physics-Based Method for Modeling Passive Membrane Permeability and Translocation Pathways of Bioactive Molecules. J Chem Inf Model, Volume 59 (7), 2019";"PerMM web server"
Acrivastine;MM00715;Cc1ccc(C(=CCN2CCCC2)c2cccc(C=CC(=O)O)n2)cc1;PWACSDKDOHSSQD-IUTFFREVSA-N;348.45;4.02;5284514;DB09488;;CHEMBL1224;LEC;CPMM;25;+1-1;"pH=7.4 ,<a href=https://permm.phar.umich.edu/  target=_blank>PerMM web server</a>";;;;;;;;;-4.26;;;;;;;;;;;;"Lomize AL, Pogozheva ID.: Physics-Based Method for Modeling Passive Membrane Permeability and Translocation Pathways of Bioactive Molecules. J Chem Inf Model, Volume 59 (7), 2019";"PerMM web server"
"5-Aminolevulinic Acid";MM00714;NCC(=O)CCC(=O)O;ZGXJTSGNIOSYLO-UHFFFAOYSA-N;131.13;-0.62;137;DB00855;;CHEMBL601;LEC;CPMM;25;+1-1;"pH=7.4 ,<a href=https://permm.phar.umich.edu/  target=_blank>PerMM web server</a>";;;;;;;;;-10.76;;;;;;;;;;;;"Lomize AL, Pogozheva ID.: Physics-Based Method for Modeling Passive Membrane Permeability and Translocation Pathways of Bioactive Molecules. J Chem Inf Model, Volume 59 (7), 2019";"PerMM web server"
"1-Naphthoic Acid";MM00592;O=C(O)c1cccc2ccccc12;LNETULKMXZVUST-UHFFFAOYSA-N;172.18;2.54;6847;;;;LEC;CPMM;25;-1;"pH=7.4 ,<a href=https://permm.phar.umich.edu/  target=_blank>PerMM web server</a>";;;;;;;;;-3.32;;;;;;;;;;;;"Lomize AL, Pogozheva ID.: Physics-Based Method for Modeling Passive Membrane Permeability and Translocation Pathways of Bioactive Molecules. J Chem Inf Model, Volume 59 (7), 2019";"PerMM web server"
2-amino-3-hydroxy-N'-[(2,3,4-trihydroxyphenyl)methyl]propanehydrazide;MM00337;NC(CO)C(=O)NNCc1ccc(O)c(O)c1O;BNQDCRGUHNALGH-UHFFFAOYSA-N;257.25;-1.76;2327;DB12783;;CHEMBL1096979;LEC;CPMM;25;0;"pH=7.4 ,<a href=https://permm.phar.umich.edu/  target=_blank>PerMM web server</a>";;;;;;;;;-10.39;;;;;;;;;;;;"Lomize AL, Pogozheva ID.: Physics-Based Method for Modeling Passive Membrane Permeability and Translocation Pathways of Bioactive Molecules. J Chem Inf Model, Volume 59 (7), 2019";"PerMM web server"
"2-Naphthoic Acid";MM00601;O=C(O)c1ccc2ccccc2c1;UOBYKYZJUGYBDK-UHFFFAOYSA-N;172.18;2.54;7123;;;114648;LEC;CPMM;25;-1;"pH=7.4 ,<a href=https://permm.phar.umich.edu/  target=_blank>PerMM web server</a>";;;;;;;;;-2.85;;;;;;;;;;;;"Lomize AL, Pogozheva ID.: Physics-Based Method for Modeling Passive Membrane Permeability and Translocation Pathways of Bioactive Molecules. J Chem Inf Model, Volume 59 (7), 2019";"PerMM web server"
"Bromoacetic Acid";MM00633;O=C(O)CBr;KDPAWGWELVVRCH-UHFFFAOYSA-N;138.95;0.47;6227;DB02198;BXA;CHEMBL60851;LEC;CPMM;25;-1;"pH=7.4 ,<a href=https://permm.phar.umich.edu/  target=_blank>PerMM web server</a>";;;;;;;;;-5.84;;;;;;;;;;;;"Lomize AL, Pogozheva ID.: Physics-Based Method for Modeling Passive Membrane Permeability and Translocation Pathways of Bioactive Molecules. J Chem Inf Model, Volume 59 (7), 2019";"PerMM web server"
Cefatrizine;MM00719;NC(C(=O)NC1C(=O)N2C(C(=O)O)=C(CSc3cn[nH]n3)CSC12)c1ccc(O)cc1;UOCJDOLVGGIYIQ-PBFPGSCMSA-N;462.51;0.04;6410758;;;CHEMBL1095284;LEC;CPMM;25;+1-1;"pH=7.4 ,<a href=https://permm.phar.umich.edu/  target=_blank>PerMM web server</a>";;;;;;;;;-12.96;;;;;;;;;;;;"Lomize AL, Pogozheva ID.: Physics-Based Method for Modeling Passive Membrane Permeability and Translocation Pathways of Bioactive Molecules. J Chem Inf Model, Volume 59 (7), 2019";"PerMM web server"
Cephaloglycin;MM00722;CC(=O)OCC1=C(C(=O)O)N2C(=O)[C@@H](NC(=O)[C@H](N)c3ccccc3)[C@H]2SC1;FUBBGQLTSCSAON-PBFPGSCMSA-N;405.43;-0.01;19150;DB00689;;CHEMBL1200971;LEC;CPMM;25;+1-2;"pH=7.4 ,<a href=https://permm.phar.umich.edu/  target=_blank>PerMM web server</a>";;;;;;;;;-12.38;;;;;;;;;;;;"Lomize AL, Pogozheva ID.: Physics-Based Method for Modeling Passive Membrane Permeability and Translocation Pathways of Bioactive Molecules. J Chem Inf Model, Volume 59 (7), 2019";"PerMM web server"
Cephaloridine;MM00638;O=C(Cc1cccs1)NC1C(=O)N2C(C(=O)O)=C(C[n+]3ccccc3)CSC12;CZTQZXZIADLWOZ-UHFFFAOYSA-O;416.5;1.02;5773;DB09008;;CHEMBL316157;LEC;CPMM;25;-1;"pH=7.4 ,<a href=https://permm.phar.umich.edu/  target=_blank>PerMM web server</a>";;;;;;;;;-9.78;;;;;;;;;;;;"Lomize AL, Pogozheva ID.: Physics-Based Method for Modeling Passive Membrane Permeability and Translocation Pathways of Bioactive Molecules. J Chem Inf Model, Volume 59 (7), 2019";"PerMM web server"
"Ethylene glycol";MM00360;OCCO;LYCAIKOWRPUZTN-UHFFFAOYSA-N;62.07;-1.03;174;;;;LEC;CPMM;25;0;"pH=7.4 ,<a href=https://permm.phar.umich.edu/  target=_blank>PerMM web server</a>";;;;;;;;;-4.77;;;;;;;;;;;;"Lomize AL, Pogozheva ID.: Physics-Based Method for Modeling Passive Membrane Permeability and Translocation Pathways of Bioactive Molecules. J Chem Inf Model, Volume 59 (7), 2019";"PerMM web server"
"Iodoacetic Acid";MM00657;O=C(O)CI;JDNTWHVOXJZDSN-UHFFFAOYSA-N;185.95;0.51;5240;;;;LEC;CPMM;25;-1;"pH=7.4 ,<a href=https://permm.phar.umich.edu/  target=_blank>PerMM web server</a>";;;;;;;;;-6.67;;;;;;;;;;;;"Lomize AL, Pogozheva ID.: Physics-Based Method for Modeling Passive Membrane Permeability and Translocation Pathways of Bioactive Molecules. J Chem Inf Model, Volume 59 (7), 2019";"PerMM web server"
Isoxicam;MM00660;Cc1cc(NC(=O)C2=C(O)c3ccccc3S(=O)(=O)N2C)no1;YYUAYBYLJSNDCX-UHFFFAOYSA-N;335.34;1.48;54677972;DB08942;ICD;CHEMBL53292;LEC;CPMM;25;-1;"pH=7.4 ,<a href=https://permm.phar.umich.edu/  target=_blank>PerMM web server</a>";;;;;;;;;-8.48;;;;;;;;;;;;"Lomize AL, Pogozheva ID.: Physics-Based Method for Modeling Passive Membrane Permeability and Translocation Pathways of Bioactive Molecules. J Chem Inf Model, Volume 59 (7), 2019";"PerMM web server"
"4-Methylphenylacetic Acid";MM00611;Cc1ccc(CC(=O)O)cc1;GXXXUZIRGXYDFP-UHFFFAOYSA-N;150.18;1.62;248474;;;;LEC;CPMM;25;-1;"pH=7.4 ,<a href=https://permm.phar.umich.edu/  target=_blank>PerMM web server</a>";;;;;;;;;-2.73;;;;;;;;;;;;"Lomize AL, Pogozheva ID.: Physics-Based Method for Modeling Passive Membrane Permeability and Translocation Pathways of Bioactive Molecules. J Chem Inf Model, Volume 59 (7), 2019";"PerMM web server"
Netivudine;MM00395;CC#Cc1cn(C2OC(CO)C(O)C2O)c(=O)[nH]c1=O;QLOCVMVCRJOTTM-SDNRWEOFSA-N;282.25;-2.48;55281;DB12606;;CHEMBL1097615;LEC;CPMM;25;0;"pH=7.4 ,<a href=https://permm.phar.umich.edu/  target=_blank>PerMM web server</a>";;;;;;;;;-11.69;;;;;;;;;;;;"Lomize AL, Pogozheva ID.: Physics-Based Method for Modeling Passive Membrane Permeability and Translocation Pathways of Bioactive Molecules. J Chem Inf Model, Volume 59 (7), 2019";"PerMM web server"
"Nitric Acid";MM00675;O=[N+]([O-])O;GRYLNZFGIOXLOG-UHFFFAOYSA-N;63.01;-0.35;944;;;;LEC;CPMM;25;0;"pH=7.4 ,<a href=https://permm.phar.umich.edu/  target=_blank>PerMM web server</a>";;;;;;;;;1.47;;;;;;;;;;;;"Lomize AL, Pogozheva ID.: Physics-Based Method for Modeling Passive Membrane Permeability and Translocation Pathways of Bioactive Molecules. J Chem Inf Model, Volume 59 (7), 2019";"PerMM web server"
"Nitric Acid";MM00675;O=[N+]([O-])O;GRYLNZFGIOXLOG-UHFFFAOYSA-N;63.01;-0.35;944;;;;LEC;CPMM;25;-1;"pH=7.4 ,<a href=https://permm.phar.umich.edu/  target=_blank>PerMM web server</a>";;;;;;;;;1.47;;;;;;;;;;;;"Lomize AL, Pogozheva ID.: Physics-Based Method for Modeling Passive Membrane Permeability and Translocation Pathways of Bioactive Molecules. J Chem Inf Model, Volume 59 (7), 2019";"PerMM web server"
2-amino-5-phenyl-1,3-oxazol-4-one;MM00402;NC1=NC(=O)C(c2ccccc2)O1;NRNCYVBFPDDJNE-UHFFFAOYSA-N;176.18;0.6;4723;DB01230;;CHEMBL1177;LEC;CPMM;25;0;"pH=7.4 ,<a href=https://permm.phar.umich.edu/  target=_blank>PerMM web server</a>";;;;;;;;;-4.45;;;;;;;;;;;;"Lomize AL, Pogozheva ID.: Physics-Based Method for Modeling Passive Membrane Permeability and Translocation Pathways of Bioactive Molecules. J Chem Inf Model, Volume 59 (7), 2019";"PerMM web server"
"Phenol Red";MM00405;O=S1(=O)OC(c2ccc(O)cc2)(c2ccc(O)cc2)c2ccccc21;BELBBZDIHDAJOR-UHFFFAOYSA-N;354.38;3.11;4766;;;CHEMBL258921;LEC;CPMM;25;0;"pH=7.4 ,<a href=https://permm.phar.umich.edu/  target=_blank>PerMM web server</a>";;;;;;;;;-4.38;;;;;;;;;;;;"Lomize AL, Pogozheva ID.: Physics-Based Method for Modeling Passive Membrane Permeability and Translocation Pathways of Bioactive Molecules. J Chem Inf Model, Volume 59 (7), 2019";"PerMM web server"
"2-[5-(4-chlorobenzoyl)-1,4-dimethylpyrrol-2-yl]acetic acid";MM00713;Cc1cc(CC(=O)O)n(C)c1C(=O)c1ccc(Cl)cc1;ZXVNMYWKKDOREA-UHFFFAOYSA-N;291.73;2.85;5733;DB04828;ZOM;CHEMBL19490;LEC;CPMM;25;-1;"pH=7.4 ,<a href=https://permm.phar.umich.edu/  target=_blank>PerMM web server</a>";;;;;;;;;-6.01;;;;;;;;;;;;"Lomize AL, Pogozheva ID.: Physics-Based Method for Modeling Passive Membrane Permeability and Translocation Pathways of Bioactive Molecules. J Chem Inf Model, Volume 59 (7), 2019";"PerMM web server"
"N-Octylmalonic Acid";MM00670;CCCCCCCCC(C(=O)O)C(=O)O;QJGNSTCICFBACB-UHFFFAOYSA-N;216.28;2.52;12972;;;;LEC;CPMM;25;-2;"pH=7.4 ,<a href=https://permm.phar.umich.edu/  target=_blank>PerMM web server</a>";;;;;;;;;-7.51;;;;;;;;;;;;"Lomize AL, Pogozheva ID.: Physics-Based Method for Modeling Passive Membrane Permeability and Translocation Pathways of Bioactive Molecules. J Chem Inf Model, Volume 59 (7), 2019";"PerMM web server"
"3,5-Dichlorobenzoic Acid";MM00603;O=C(O)c1cc(Cl)cc(Cl)c1;CXKCZFDUOYMOOP-UHFFFAOYSA-N;191.01;2.69;5811;;;;LEC;CPMM;25;-1;"pH=7.4 ,<a href=https://permm.phar.umich.edu/  target=_blank>PerMM web server</a>";;;;;;;;;-5.49;;;;;;;;;;;;"Lomize AL, Pogozheva ID.: Physics-Based Method for Modeling Passive Membrane Permeability and Translocation Pathways of Bioactive Molecules. J Chem Inf Model, Volume 59 (7), 2019";"PerMM web server"
Beclomethasone;MM00335;C[C@H]1C[C@H]2[C@@H]3CCC4=CC(=O)C=C[C@]4(C)[C@@]3(Cl)[C@@H](O)C[C@]2(C)[C@@]1(O)C(=O)CO;NBMKJKDGKREAPL-DVTGEIKXSA-N;408.92;2.17;20469;;;;LEC;CPMM;25;0;"pH=7.4 ,<a href=https://permm.phar.umich.edu/  target=_blank>PerMM web server</a>";;;;;;;;;-5.42;;;;;;;;;;;;"Lomize AL, Pogozheva ID.: Physics-Based Method for Modeling Passive Membrane Permeability and Translocation Pathways of Bioactive Molecules. J Chem Inf Model, Volume 59 (7), 2019";"PerMM web server"
Cerivastatin;MM00639;COCc1c(C(C)C)nc(C(C)C)c(C=CC(O)CC(O)CC(=O)O)c1-c1ccc(F)cc1;SEERZIQQUAZTOL-UHFFFAOYSA-N;459.56;4.88;446156;DB00439;116;CHEMBL1477;LEC;CPMM;25;-1;"pH=7.4 ,<a href=https://permm.phar.umich.edu/  target=_blank>PerMM web server</a>";;;;;;;;;-5.55;;;;;;;;;;;;"Lomize AL, Pogozheva ID.: Physics-Based Method for Modeling Passive Membrane Permeability and Translocation Pathways of Bioactive Molecules. J Chem Inf Model, Volume 59 (7), 2019";"PerMM web server"
Chlortetracycline;MM00725;CN(C)C1C(=O)C(C(N)=O)=C(O)C2(O)C(=O)C3=C(O)c4c(O)ccc(Cl)c4C(C)(O)C3CC12;DHPRQBPJLMKORJ-XRNKAMNCSA-N;478.89;0.28;54675777;DB09093;CTC;CHEMBL404520;LEC;CPMM;25;+1-1;"pH=7.4 ,<a href=https://permm.phar.umich.edu/  target=_blank>PerMM web server</a>";;;;;;;;;-17.07;;;;;;;;;;;;"Lomize AL, Pogozheva ID.: Physics-Based Method for Modeling Passive Membrane Permeability and Translocation Pathways of Bioactive Molecules. J Chem Inf Model, Volume 59 (7), 2019";"PerMM web server"
CP-141938;MM00471;COc1ccc(N(C)S(C)(=O)=O)cc1CNC1CCCNC1c1ccccc1;GZLOIBNBDUHEFY-UHFFFAOYSA-N;403.55;2.67;10363809;;;;LEC;CPMM;25;0;"pH=7.4 ,<a href=https://permm.phar.umich.edu/  target=_blank>PerMM web server</a>";;;;;;;;;-1.91;;;;;;;;;;;;"Lomize AL, Pogozheva ID.: Physics-Based Method for Modeling Passive Membrane Permeability and Translocation Pathways of Bioactive Molecules. J Chem Inf Model, Volume 59 (7), 2019";"PerMM web server"
1,2-bis(oxiran-2-yl)ethane-1,2-diol;MM00356;OC(C1CO1)C(O)C1CO1;AAFJXZWCNVJTMK-UHFFFAOYSA-N;146.14;-1.49;31789;DB12873;;CHEMBL3137322;LEC;CPMM;25;0;"pH=7.4 ,<a href=https://permm.phar.umich.edu/  target=_blank>PerMM web server</a>";;;;;;;;;-7;;;;;;;;;;;;"Lomize AL, Pogozheva ID.: Physics-Based Method for Modeling Passive Membrane Permeability and Translocation Pathways of Bioactive Molecules. J Chem Inf Model, Volume 59 (7), 2019";"PerMM web server"
DPDPE;MM00731;CC1(C)SSC(C)(C)C(NC(=O)C(N)Cc2ccc(O)cc2)C(=O)NCC(=O)NC(Cc2ccccc2)C(=O)NC1C(=O)O;MCMMCRYPQBNCPH-UHFFFAOYSA-N;645.8;1.11;104787;DB08861;;CHEMBL31421;LEC;CPMM;25;+1-1;"pH=7.4 ,<a href=https://permm.phar.umich.edu/  target=_blank>PerMM web server</a>";;;;;;;;;-16.35;;;;;;;;;;;;"Lomize AL, Pogozheva ID.: Physics-Based Method for Modeling Passive Membrane Permeability and Translocation Pathways of Bioactive Molecules. J Chem Inf Model, Volume 59 (7), 2019";"PerMM web server"
Fleroxacin;MM00736;CN1CCN(c2c(F)cc3c(=O)c(C(=O)O)cn(CCF)c3c2F)CC1;XBJBPGROQZJDOJ-UHFFFAOYSA-N;369.34;1.7;3357;DB04576;;CHEMBL6273;LEC;CPMM;25;+1-1;"pH=7.4 ,<a href=https://permm.phar.umich.edu/  target=_blank>PerMM web server</a>";;;;;;;;;-9.73;;;;;;;;;;;;"Lomize AL, Pogozheva ID.: Physics-Based Method for Modeling Passive Membrane Permeability and Translocation Pathways of Bioactive Molecules. J Chem Inf Model, Volume 59 (7), 2019";"PerMM web server"
"Flufenamic Acid";MM00645;O=C(O)c1ccccc1Nc1cccc(C(F)(F)F)c1;LPEPZBJOKDYZAD-UHFFFAOYSA-N;281.23;4.15;3371;DB02266;FLF;CHEMBL23588;LEC;CPMM;25;-1;"pH=7.4 ,<a href=https://permm.phar.umich.edu/  target=_blank>PerMM web server</a>";;;;;;;;;-4.22;;;;;;;;;;;;"Lomize AL, Pogozheva ID.: Physics-Based Method for Modeling Passive Membrane Permeability and Translocation Pathways of Bioactive Molecules. J Chem Inf Model, Volume 59 (7), 2019";"PerMM web server"
5,7-dihydroxy-2-(4-hydroxyphenyl)-6-methoxychromen-4-one;MM00372;COc1c(O)cc2oc(-c3ccc(O)cc3)cc(=O)c2c1O;IHFBPDAQLQOCBX-UHFFFAOYSA-N;300.27;2.59;5281628;;;;LEC;CPMM;25;0;"pH=7.4 ,<a href=https://permm.phar.umich.edu/  target=_blank>PerMM web server</a>";;;;;;;;;-4.48;;;;;;;;;;;;"Lomize AL, Pogozheva ID.: Physics-Based Method for Modeling Passive Membrane Permeability and Translocation Pathways of Bioactive Molecules. J Chem Inf Model, Volume 59 (7), 2019";"PerMM web server"
2-iodoacetamide;MM00376;NC(=O)CI;PGLTVOMIXTUURA-UHFFFAOYSA-N;184.96;-0.09;3727;;;;LEC;CPMM;25;0;"pH=7.4 ,<a href=https://permm.phar.umich.edu/  target=_blank>PerMM web server</a>";;;;;;;;;-3.26;;;;;;;;;;;;"Lomize AL, Pogozheva ID.: Physics-Based Method for Modeling Passive Membrane Permeability and Translocation Pathways of Bioactive Molecules. J Chem Inf Model, Volume 59 (7), 2019";"PerMM web server"
Isobutyramide;MM00378;CC(C)C(N)=O;WFKAJVHLWXSISD-UHFFFAOYSA-N;87.12;0.13;68424;;;;LEC;CPMM;25;0;"pH=7.4 ,<a href=https://permm.phar.umich.edu/  target=_blank>PerMM web server</a>";;;;;;;;;-2.07;;;;;;;;;;;;"Lomize AL, Pogozheva ID.: Physics-Based Method for Modeling Passive Membrane Permeability and Translocation Pathways of Bioactive Molecules. J Chem Inf Model, Volume 59 (7), 2019";"PerMM web server"
Methylurea;MM00389;CNC(N)=O;XGEGHDBEHXKFPX-UHFFFAOYSA-N;74.08;-0.72;11719;;;;LEC;CPMM;25;0;"pH=7.4 ,<a href=https://permm.phar.umich.edu/  target=_blank>PerMM web server</a>";;;;;;;;;-5.54;;;;;;;;;;;;"Lomize AL, Pogozheva ID.: Physics-Based Method for Modeling Passive Membrane Permeability and Translocation Pathways of Bioactive Molecules. J Chem Inf Model, Volume 59 (7), 2019";"PerMM web server"
Neotrofin;MM00674;O=C(CCn1cnc2c(=O)nc[nH]c21)Nc1ccc(C(=O)[O-])cc1.[K+];MICLTPPSCUXHJT-UHFFFAOYSA-M;365.39;-3.48;23663995;;;;LEC;CPMM;25;-1;"pH=7.4 ,<a href=https://permm.phar.umich.edu/  target=_blank>PerMM web server</a>";;;;;;;;;-12.56;;;;;;;;;;;;"Lomize AL, Pogozheva ID.: Physics-Based Method for Modeling Passive Membrane Permeability and Translocation Pathways of Bioactive Molecules. J Chem Inf Model, Volume 59 (7), 2019";"PerMM web server"
"Oxolinic Acid";MM00677;CCn1cc(C(=O)O)c(=O)c2cc3c(cc21)OCO3;KYGZCKSPAKDVKC-UHFFFAOYSA-N;261.23;1.45;4628;;;;LEC;CPMM;25;-1;"pH=7.4 ,<a href=https://permm.phar.umich.edu/  target=_blank>PerMM web server</a>";;;;;;;;;-5.92;;;;;;;;;;;;"Lomize AL, Pogozheva ID.: Physics-Based Method for Modeling Passive Membrane Permeability and Translocation Pathways of Bioactive Molecules. J Chem Inf Model, Volume 59 (7), 2019";"PerMM web server"
Propanamide;MM00413;CCC(N)=O;QLNJFJADRCOGBJ-UHFFFAOYSA-N;73.1;-0.12;6578;DB04161;ROP;CHEMBL1235716;LEC;CPMM;25;0;"pH=7.4 ,<a href=https://permm.phar.umich.edu/  target=_blank>PerMM web server</a>";;;;;;;;;-2.51;;;;;;;;;;;;"Lomize AL, Pogozheva ID.: Physics-Based Method for Modeling Passive Membrane Permeability and Translocation Pathways of Bioactive Molecules. J Chem Inf Model, Volume 59 (7), 2019";"PerMM web server"
Tol-Gly;MM00698;Cc1ccc(C(=O)NCC(=O)O)cc1;NRSCPTLHWVWLLH-UHFFFAOYSA-N;193.2;0.81;97479;;;;LEC;CPMM;25;-1;"pH=7.4 ,<a href=https://permm.phar.umich.edu/  target=_blank>PerMM web server</a>";;;;;;;;;-6.66;;;;;;;;;;;;"Lomize AL, Pogozheva ID.: Physics-Based Method for Modeling Passive Membrane Permeability and Translocation Pathways of Bioactive Molecules. J Chem Inf Model, Volume 59 (7), 2019";"PerMM web server"
1,2,3,4,5-pentachloro-6-nitrobenzene;MM00416;O=[N+]([O-])c1c(Cl)c(Cl)c(Cl)c(Cl)c1Cl;LKPLKUMXSAEKID-UHFFFAOYSA-N;295.34;4.86;6720;;;;LEC;CPMM;25;0;"pH=7.4 ,<a href=https://permm.phar.umich.edu/  target=_blank>PerMM web server</a>";;;;;;;;;-1.36;;;;;;;;;;;;"Lomize AL, Pogozheva ID.: Physics-Based Method for Modeling Passive Membrane Permeability and Translocation Pathways of Bioactive Molecules. J Chem Inf Model, Volume 59 (7), 2019";"PerMM web server"
1,3-Propanediol;MM00313;OCCCO;YPFDHNVEDLHUCE-UHFFFAOYSA-N;76.1;-0.64;10442;DB02774;PDO;CHEMBL379652;LEC;CPMM;25;0;"pH=7.4 ,<a href=https://permm.phar.umich.edu/  target=_blank>PerMM web server</a>";;;;;;;;;-4.43;;;;;;;;;;;;"Lomize AL, Pogozheva ID.: Physics-Based Method for Modeling Passive Membrane Permeability and Translocation Pathways of Bioactive Molecules. J Chem Inf Model, Volume 59 (7), 2019";"PerMM web server"
Water;MM00431;O;XLYOFNOQVPJJNP-UHFFFAOYSA-N;18.02;-0.82;962;DB09145;HOH;CHEMBL1098659;LEC;CPMM;25;0;"pH=7.4 ,<a href=https://permm.phar.umich.edu/  target=_blank>PerMM web server</a>";;;;;;;;;-4.32;;;;;;;;;;;;"Lomize AL, Pogozheva ID.: Physics-Based Method for Modeling Passive Membrane Permeability and Translocation Pathways of Bioactive Molecules. J Chem Inf Model, Volume 59 (7), 2019";"PerMM web server"
Ammonia;MM00445;N;QGZKDVFQNNGYKY-UHFFFAOYSA-N;17.03;0.16;222;DB11118;;;LEC;CPMM;25;0;"pH=7.4 ,<a href=https://permm.phar.umich.edu/  target=_blank>PerMM web server</a>";;;;;;;;;-3.51;;;;;;;;;;;;"Lomize AL, Pogozheva ID.: Physics-Based Method for Modeling Passive Membrane Permeability and Translocation Pathways of Bioactive Molecules. J Chem Inf Model, Volume 59 (7), 2019";"PerMM web server"
Pentanamide;MM00403;CCCCC(N)=O;IPWFJLQDVFKJDU-UHFFFAOYSA-N;101.15;0.66;12298;;;;LEC;CPMM;25;0;"pH=7.4 ,<a href=https://permm.phar.umich.edu/  target=_blank>PerMM web server</a>";;;;;;;;;-1.97;;;;;;;;;;;;"Lomize AL, Pogozheva ID.: Physics-Based Method for Modeling Passive Membrane Permeability and Translocation Pathways of Bioactive Molecules. J Chem Inf Model, Volume 59 (7), 2019";"PerMM web server"
"Heptanoic Acid";MM00653;CCCCCCC(=O)O;MNWFXJYAOYHMED-UHFFFAOYSA-N;130.19;2.04;8094;DB02938;SHV;CHEMBL320358;LEC;CPMM;25;-1;"pH=7.4 ,<a href=https://permm.phar.umich.edu/  target=_blank>PerMM web server</a>";;;;;;;;;-2.58;;;;;;;;;;;;"Lomize AL, Pogozheva ID.: Physics-Based Method for Modeling Passive Membrane Permeability and Translocation Pathways of Bioactive Molecules. J Chem Inf Model, Volume 59 (7), 2019";"PerMM web server"
"Hydrofluoric Acid";MM00655;F;KRHYYFGTRYWZRS-UHFFFAOYSA-N;20.01;0.15;14917;DB11072;;CHEMBL1232767;LEC;CPMM;25;0;"pH=7.4 ,<a href=https://permm.phar.umich.edu/  target=_blank>PerMM web server</a>";;;;;;;;;0.22;;;;;;;;;;;;"Lomize AL, Pogozheva ID.: Physics-Based Method for Modeling Passive Membrane Permeability and Translocation Pathways of Bioactive Molecules. J Chem Inf Model, Volume 59 (7), 2019";"PerMM web server"
"Hydrofluoric Acid";MM00655;F;KRHYYFGTRYWZRS-UHFFFAOYSA-N;20.01;0.15;14917;DB11072;;CHEMBL1232767;LEC;CPMM;25;-1;"pH=7.4 ,<a href=https://permm.phar.umich.edu/  target=_blank>PerMM web server</a>";;;;;;;;;0.22;;;;;;;;;;;;"Lomize AL, Pogozheva ID.: Physics-Based Method for Modeling Passive Membrane Permeability and Translocation Pathways of Bioactive Molecules. J Chem Inf Model, Volume 59 (7), 2019";"PerMM web server"
"Malic Acid";MM00666;O=C(O)CC(O)C(=O)O;BJEPYKJPYRNKOW-UHFFFAOYSA-N;134.09;-1.09;525;DB12751;;CHEMBL1455497;LEC;CPMM;25;-2;"pH=7.4 ,<a href=https://permm.phar.umich.edu/  target=_blank>PerMM web server</a>";;;;;;;;;-14.38;;;;;;;;;;;;"Lomize AL, Pogozheva ID.: Physics-Based Method for Modeling Passive Membrane Permeability and Translocation Pathways of Bioactive Molecules. J Chem Inf Model, Volume 59 (7), 2019";"PerMM web server"
11-Dehydrocorticosterone;MM00315;C[C@]12CC(=O)[C@H]3[C@@H](CCC4=CC(=O)CC[C@@]43C)[C@@H]1CC[C@@H]2C(=O)CO;FUFLCEKSBBHCMO-KJQYFISQSA-N;344.45;2.87;5311364;;;;LEC;CPMM;25;0;"pH=7.4 ,<a href=https://permm.phar.umich.edu/  target=_blank>PerMM web server</a>";;;;;;;;;-3.53;;;;;;;;;;;;"Lomize AL, Pogozheva ID.: Physics-Based Method for Modeling Passive Membrane Permeability and Translocation Pathways of Bioactive Molecules. J Chem Inf Model, Volume 59 (7), 2019";"PerMM web server"
Aldosterone;MM00327;CC12CCC(=O)C=C1CCC1C2C(O)CC2(C=O)C(C(=O)CO)CCC12;PQSUYGKTWSAVDQ-ZVIOFETBSA-N;360.45;1.85;5839;DB04630;AS4;CHEMBL273453;LEC;CPMM;25;0;"pH=7.4 ,<a href=https://permm.phar.umich.edu/  target=_blank>PerMM web server</a>";;;;;;;;;-5.7;;;;;;;;;;;;"Lomize AL, Pogozheva ID.: Physics-Based Method for Modeling Passive Membrane Permeability and Translocation Pathways of Bioactive Molecules. J Chem Inf Model, Volume 59 (7), 2019";"PerMM web server"
D-Fructose;MM00351;OCC1(O)OC[C@@H](O)[C@@H](O)[C@@H]1O;LKDRXBCSQODPBY-VRPWFDPXSA-N;180.16;-3.22;2723872;;;;LEC;CPMM;25;0;"pH=7.4 ,<a href=https://permm.phar.umich.edu/  target=_blank>PerMM web server</a>";;;;;;;;;-10.46;;;;;;;;;;;;"Lomize AL, Pogozheva ID.: Physics-Based Method for Modeling Passive Membrane Permeability and Translocation Pathways of Bioactive Molecules. J Chem Inf Model, Volume 59 (7), 2019";"PerMM web server"
Naringenin;MM00673;O=C1CC(c2ccc(O)cc2)Oc2cc(O)cc(O)c21;FTVWIRXFELQLPI-UHFFFAOYSA-N;272.26;2.51;439246;DB03467;NAR;CHEMBL9352;LEC;CPMM;25;-1;"pH=7.4 ,<a href=https://permm.phar.umich.edu/  target=_blank>PerMM web server</a>";;;;;;;;;-6.13;;;;;;;;;;;;"Lomize AL, Pogozheva ID.: Physics-Based Method for Modeling Passive Membrane Permeability and Translocation Pathways of Bioactive Molecules. J Chem Inf Model, Volume 59 (7), 2019";"PerMM web server"
Silibinin;MM00420;COc1cc([C@H]2Oc3cc([C@H]4Oc5cc(O)cc(O)c5C(=O)[C@@H]4O)ccc3O[C@@H]2CO)ccc1O;SEBFKMXJBCUCAI-HKTJVKLFSA-N;482.44;2.36;31553;DB09298;;CHEMBL431701;LEC;CPMM;25;0;"pH=7.4 ,<a href=https://permm.phar.umich.edu/  target=_blank>PerMM web server</a>";;;;;;;;;-11.12;;;;;;;;;;;;"Lomize AL, Pogozheva ID.: Physics-Based Method for Modeling Passive Membrane Permeability and Translocation Pathways of Bioactive Molecules. J Chem Inf Model, Volume 59 (7), 2019";"PerMM web server"
Cefsulodin;MM00720;NC(=O)c1cc[n+](CC2=C(C(=O)O)N3C(=O)C(NC(=O)C(c4ccccc4)S(=O)(=O)O)C3SC2)cc1;SYLKGLMBLAAGSC-UHFFFAOYSA-O;533.56;-0.56;656575;;;;LEC;CPMM;25;+1-2;"pH=7.4 ,<a href=https://permm.phar.umich.edu/  target=_blank>PerMM web server</a>";;;;;;;;;-18.5;;;;;;;;;;;;"Lomize AL, Pogozheva ID.: Physics-Based Method for Modeling Passive Membrane Permeability and Translocation Pathways of Bioactive Molecules. J Chem Inf Model, Volume 59 (7), 2019";"PerMM web server"
CNV97100;MM00727;CC1CN(c2cc3c(cc2F)c(=O)c(C(=O)O)cn3C2CC2)CCN1.O=C(O)C(F)(F)F;URJUNYOPXJPQGS-UHFFFAOYSA-N;459.4;2.61;46781144;;;;LEC;CPMM;25;+1-1;"pH=7.4 ,<a href=https://permm.phar.umich.edu/  target=_blank>PerMM web server</a>";;;;;;;;;-5.98;;;;;;;;;;;;"Lomize AL, Pogozheva ID.: Physics-Based Method for Modeling Passive Membrane Permeability and Translocation Pathways of Bioactive Molecules. J Chem Inf Model, Volume 59 (7), 2019";"PerMM web server"
"Cyclosporine A";MM00349;CC=CCC(C)C(O)C1C(=O)NC(CC)C(=O)N(C)CC(=O)N(C)C(CC(C)C)C(=O)NC(C(C)C)C(=O)N(C)C(CC(C)C)C(=O)NC(C)C(=O)NC(C)C(=O)N(C)C(CC(C)C)C(=O)N(C)C(CC(C)C)C(=O)N(C)C(C(C)C)C(=O)N1C;PMATZTZNYRCHOR-UHFFFAOYSA-N;1202.64;3.27;5284373;DB00091;;CHEMBL160;LEC;CPMM;25;0;"pH=7.4 ,<a href=https://permm.phar.umich.edu/  target=_blank>PerMM web server</a>";;;;;;;;;-1.57;;;;;;;;;;;;"Lomize AL, Pogozheva ID.: Physics-Based Method for Modeling Passive Membrane Permeability and Translocation Pathways of Bioactive Molecules. J Chem Inf Model, Volume 59 (7), 2019";"PerMM web server"
DMP-450;MM00358;Nc1cccc(CN2C(=O)N(Cc3cccc(N)c3)[C@H](Cc3ccccc3)[C@H](O)[C@@H](O)[C@H]2Cc2ccccc2)c1;KYRSNWPSSXSNEP-ZRTHHSRSSA-N;536.68;4.23;154044;DB02102;DMQ;CHEMBL223824;LEC;CPMM;25;0;"pH=7.4 ,<a href=https://permm.phar.umich.edu/  target=_blank>PerMM web server</a>";;;;;;;;;-2.84;;;;;;;;;;;;"Lomize AL, Pogozheva ID.: Physics-Based Method for Modeling Passive Membrane Permeability and Translocation Pathways of Bioactive Molecules. J Chem Inf Model, Volume 59 (7), 2019";"PerMM web server"
Gly-Pro;MM00739;NCC(=O)N1CCCC1C(=O)O;KZNQNBZMBZJQJO-UHFFFAOYSA-N;172.18;-0.98;3013625;;;CHEMBL80548;LEC;CPMM;25;+1-1;"pH=7.4 ,<a href=https://permm.phar.umich.edu/  target=_blank>PerMM web server</a>";;;;;;;;;-11.04;;;;;;;;;;;;"Lomize AL, Pogozheva ID.: Physics-Based Method for Modeling Passive Membrane Permeability and Translocation Pathways of Bioactive Molecules. J Chem Inf Model, Volume 59 (7), 2019";"PerMM web server"
Me-ciprofloxacin;MM01307;CN1CCN(c2cc3c(cc2F)c(=O)c(C(=O)O)cn3C2CC2)CC1;TXJIOKSSHCOKKH-UHFFFAOYSA-N;345.37;1.93;465907;;;;LEC;CPMM;25;+1-1;"pH=7.4 ,<a href=https://permm.phar.umich.edu/  target=_blank>PerMM web server</a>";;;;;;;;;-6.57;;;;;;;;;;;;"Lomize AL, Pogozheva ID.: Physics-Based Method for Modeling Passive Membrane Permeability and Translocation Pathways of Bioactive Molecules. J Chem Inf Model, Volume 59 (7), 2019";"PerMM web server"
Tol-Gly-Gly-Sar;MM00701;Cc1ccc(C(=O)NCC(=O)NCC(=O)N(C)CC(=O)O)cc1;GPOXNQMQXBXEJG-UHFFFAOYSA-N;321.33;-0.62;;;;;LEC;CPMM;25;-1;"pH=7.4 ,<a href=https://permm.phar.umich.edu/  target=_blank>PerMM web server</a>";;;;;;;;;-11.69;;;;;;;;;;;;"Lomize AL, Pogozheva ID.: Physics-Based Method for Modeling Passive Membrane Permeability and Translocation Pathways of Bioactive Molecules. J Chem Inf Model, Volume 59 (7), 2019";"PerMM web server"
Tol-Ala-Ala-Ala;MM00697;Cc1ccc(C(=O)N[C@@H](C)C(=O)NC(C)C(=O)NC(C)C(=O)O)cc1;AWXUDMFMJWEFLI-CXQJBGSLSA-N;349.39;0.21;;;;;LEC;CPMM;25;-1;"pH=7.4 ,<a href=https://permm.phar.umich.edu/  target=_blank>PerMM web server</a>";;;;;;;;;-8.9;;;;;;;;;;;;"Lomize AL, Pogozheva ID.: Physics-Based Method for Modeling Passive Membrane Permeability and Translocation Pathways of Bioactive Molecules. J Chem Inf Model, Volume 59 (7), 2019";"PerMM web server"
Tol-Ala-Ala;MM00696;Cc1ccc(C(=O)N[C@@H](C)C(=O)NC(C)C(=O)O)cc1;FBAZKLTYPHRTPD-RGURZIINSA-N;278.31;0.7;;;;;LEC;CPMM;25;-1;"pH=7.4 ,<a href=https://permm.phar.umich.edu/  target=_blank>PerMM web server</a>";;;;;;;;;-7.18;;;;;;;;;;;;"Lomize AL, Pogozheva ID.: Physics-Based Method for Modeling Passive Membrane Permeability and Translocation Pathways of Bioactive Molecules. J Chem Inf Model, Volume 59 (7), 2019";"PerMM web server"
Tol-Ala;MM00695;Cc1ccc(C(=O)N[C@@H](C)C(=O)O)cc1;LUQFCOKRPYVJGV-QMMMGPOBSA-N;207.23;1.2;702949;;;;LEC;CPMM;25;-1;"pH=7.4 ,<a href=https://permm.phar.umich.edu/  target=_blank>PerMM web server</a>";;;;;;;;;-5.55;;;;;;;;;;;;"Lomize AL, Pogozheva ID.: Physics-Based Method for Modeling Passive Membrane Permeability and Translocation Pathways of Bioactive Molecules. J Chem Inf Model, Volume 59 (7), 2019";"PerMM web server"
Tol-Gly-Gly-Gly;MM00700;Cc1ccc(C(=O)NCC(=O)NCC(=O)NCC(=O)O)cc1;OQIOHQJDADAQRO-UHFFFAOYSA-N;307.31;-0.96;;;;;LEC;CPMM;25;-1;"pH=7.4 ,<a href=https://permm.phar.umich.edu/  target=_blank>PerMM web server</a>";;;;;;;;;-11.66;;;;;;;;;;;;"Lomize AL, Pogozheva ID.: Physics-Based Method for Modeling Passive Membrane Permeability and Translocation Pathways of Bioactive Molecules. J Chem Inf Model, Volume 59 (7), 2019";"PerMM web server"
Tol-Gly-Gly;MM00699;Cc1ccc(C(=O)NCC(=O)NCC(=O)O)cc1;GFMIXHRADKOCKD-UHFFFAOYSA-N;250.25;-0.07;1612474;;;;LEC;CPMM;25;-1;"pH=7.4 ,<a href=https://permm.phar.umich.edu/  target=_blank>PerMM web server</a>";;;;;;;;;-9.35;;;;;;;;;;;;"Lomize AL, Pogozheva ID.: Physics-Based Method for Modeling Passive Membrane Permeability and Translocation Pathways of Bioactive Molecules. J Chem Inf Model, Volume 59 (7), 2019";"PerMM web server"
Tol-Gly-Sar-Gly;MM00703;Cc1ccc(C(=O)NCC(=O)N(C)CC(=O)NCC(=O)O)cc1;VDLFQRLCHVTMPD-UHFFFAOYSA-N;321.33;-0.62;;;;;LEC;CPMM;25;-1;"pH=7.4 ,<a href=https://permm.phar.umich.edu/  target=_blank>PerMM web server</a>";;;;;;;;;-11.3;;;;;;;;;;;;"Lomize AL, Pogozheva ID.: Physics-Based Method for Modeling Passive Membrane Permeability and Translocation Pathways of Bioactive Molecules. J Chem Inf Model, Volume 59 (7), 2019";"PerMM web server"
Tol-Gly-Sar;MM00702;Cc1ccc(C(=O)NCC(=O)N(C)CC(=O)O)cc1;LKGQGAPFEYAOCE-UHFFFAOYSA-N;264.28;0.27;43356167;;;;LEC;CPMM;25;-1;"pH=7.4 ,<a href=https://permm.phar.umich.edu/  target=_blank>PerMM web server</a>";;;;;;;;;-9.57;;;;;;;;;;;;"Lomize AL, Pogozheva ID.: Physics-Based Method for Modeling Passive Membrane Permeability and Translocation Pathways of Bioactive Molecules. J Chem Inf Model, Volume 59 (7), 2019";"PerMM web server"
Tol-Sar-Gly-Gly;MM00706;Cc1ccc(C(=O)N(C)CC(=O)NCC(=O)NCC(=O)O)cc1;GQINUZIFINBVAM-UHFFFAOYSA-N;321.33;-0.62;;;;;LEC;CPMM;25;-1;"pH=7.4 ,<a href=https://permm.phar.umich.edu/  target=_blank>PerMM web server</a>";;;;;;;;;-12.11;;;;;;;;;;;;"Lomize AL, Pogozheva ID.: Physics-Based Method for Modeling Passive Membrane Permeability and Translocation Pathways of Bioactive Molecules. J Chem Inf Model, Volume 59 (7), 2019";"PerMM web server"
Tol-Sar-Gly;MM00705;Cc1ccc(C(=O)N(C)CC(=O)NCC(=O)O)cc1;JDZZMSKJRWYDMH-UHFFFAOYSA-N;264.28;0.27;;;;;LEC;CPMM;25;-1;"pH=7.4 ,<a href=https://permm.phar.umich.edu/  target=_blank>PerMM web server</a>";;;;;;;;;-9.52;;;;;;;;;;;;"Lomize AL, Pogozheva ID.: Physics-Based Method for Modeling Passive Membrane Permeability and Translocation Pathways of Bioactive Molecules. J Chem Inf Model, Volume 59 (7), 2019";"PerMM web server"
Tol-Sar-Sar-Gly;MM00707;Cc1ccc(C(=O)N(C)CC(=O)N(C)CC(=O)NCC(=O)O)cc1;GQJNIDFZAHXWIX-UHFFFAOYSA-N;335.36;-0.27;;;;;LEC;CPMM;25;-1;"pH=7.4 ,<a href=https://permm.phar.umich.edu/  target=_blank>PerMM web server</a>";;;;;;;;;-11.28;;;;;;;;;;;;"Lomize AL, Pogozheva ID.: Physics-Based Method for Modeling Passive Membrane Permeability and Translocation Pathways of Bioactive Molecules. J Chem Inf Model, Volume 59 (7), 2019";"PerMM web server"
Tol-Sar;MM00704;Cc1ccc(C(=O)N(C)CC(=O)O)cc1;WKEPQHRTXMIHLM-UHFFFAOYSA-N;207.23;1.15;16777360;;;;LEC;CPMM;25;-1;"pH=7.4 ,<a href=https://permm.phar.umich.edu/  target=_blank>PerMM web server</a>";;;;;;;;;-7.12;;;;;;;;;;;;"Lomize AL, Pogozheva ID.: Physics-Based Method for Modeling Passive Membrane Permeability and Translocation Pathways of Bioactive Molecules. J Chem Inf Model, Volume 59 (7), 2019";"PerMM web server"
1,6-Hexanediol;MM00009;C[C@@H](O)CC[C@@H](C)O;OHMBHFSEKCCCBW-PHDIDXHHSA-N;118.18;0.53;43078;DB02210;HEZ;CHEMBL458616;LEC;CPMM;25;0;"pH=7.4 ,<a href=https://permm.phar.umich.edu/  target=_blank>PerMM web server</a>";;;;;;;;;-1.88;;;;;;;;;;;;"Lomize AL, Pogozheva ID.: Physics-Based Method for Modeling Passive Membrane Permeability and Translocation Pathways of Bioactive Molecules. J Chem Inf Model, Volume 59 (7), 2019";"PerMM web server"
CNV97103;MM00729;CCCN1CCN(c2cc3c(cc2F)c(=O)c(C(=O)O)cn3C2CC2)CC1C;WPGHZQMHNTXSAF-UHFFFAOYSA-N;387.46;3.09;13326823;;;;LEC;CPMM;25;+1-1;"pH=7.4 ,<a href=https://permm.phar.umich.edu/  target=_blank>PerMM web server</a>";;;;;;;;;-4.91;;;;;;;;;;;;"Lomize AL, Pogozheva ID.: Physics-Based Method for Modeling Passive Membrane Permeability and Translocation Pathways of Bioactive Molecules. J Chem Inf Model, Volume 59 (7), 2019";"PerMM web server"
Bremazocine;MM00452;CC[C@]12CCN(CC3(O)CC3)[C@H](Cc3ccc(O)cc31)C2(C)C;ZDXGFIXMPOUDFF-XLIONFOSSA-N;315.46;3.22;443406;;;;LEC;CPMM;25;+1;"<a href=https://permm.phar.umich.edu/  target=_blank>PerMM web server</a>";;;;;;;;;0.88;;;;;;;;;;;;"Lomize AL, Pogozheva ID.: Physics-Based Method for Modeling Passive Membrane Permeability and Translocation Pathways of Bioactive Molecules. J Chem Inf Model, Volume 59 (7), 2019";"PerMM web server"
Loratadine;MM00385;CCOC(=O)N1CCC(=C2c3ccc(Cl)cc3CCc3cccnc32)CC1;JCCNYMKQOSZNPW-UHFFFAOYSA-N;382.89;4.89;3957;DB00455;;CHEMBL998;LEC;CPMM;25;0;"<a href=https://permm.phar.umich.edu/  target=_blank>PerMM web server</a>";;;;;;;;;0.4;;;;;;;;;;;;"Lomize AL, Pogozheva ID.: Physics-Based Method for Modeling Passive Membrane Permeability and Translocation Pathways of Bioactive Molecules. J Chem Inf Model, Volume 59 (7), 2019";"PerMM web server"
4-iodo-1,5-dimethyl-2-phenylpyrazol-3-one;MM00377;Cc1c(I)c(=O)n(-c2ccccc2)n1C;ZZOBLCHCPLOXCE-UHFFFAOYSA-N;314.13;2.09;8522;;;;LEC;CPMM;25;0;"<a href=https://permm.phar.umich.edu/  target=_blank>PerMM web server</a>";;;;;;;;;0.72;;;;;;;;;;;;"Lomize AL, Pogozheva ID.: Physics-Based Method for Modeling Passive Membrane Permeability and Translocation Pathways of Bioactive Molecules. J Chem Inf Model, Volume 59 (7), 2019";"PerMM web server"
"Ralimetinib Dimesylate";MM00417;CC(C)(C)Cn1c(N)nc2ccc(-c3[nH]c(C(C)(C)C)nc3-c3ccc(F)cc3)nc21.CS(=O)(=O)O.CS(=O)(=O)O;NARMJPIBAXVUIE-UHFFFAOYSA-N;612.75;4.56;11570805;;;;LEC;CPMM;25;0;"<a href=https://permm.phar.umich.edu/  target=_blank>PerMM web server</a>";;;;;;;;;0.49;;;;;;;;;;;;"Lomize AL, Pogozheva ID.: Physics-Based Method for Modeling Passive Membrane Permeability and Translocation Pathways of Bioactive Molecules. J Chem Inf Model, Volume 59 (7), 2019";"PerMM web server"
11beta-Hydroxyprogesterone;MM00317;CC(=O)[C@H]1CC[C@H]2[C@@H]3CCC4=CC(=O)CC[C@]4(C)[C@H]3[C@@H](O)C[C@]12C;BFZHCUBIASXHPK-ATWVFEABSA-N;330.47;3.69;101788;;;;LEC;CPMM;25;0;"<a href=https://permm.phar.umich.edu/  target=_blank>PerMM web server</a>";;;;;;;;;-0.06;;;;;;;;;;;;"Lomize AL, Pogozheva ID.: Physics-Based Method for Modeling Passive Membrane Permeability and Translocation Pathways of Bioactive Molecules. J Chem Inf Model, Volume 59 (7), 2019";"PerMM web server"
2,4-Dibromoestradiol;MM00319;CC12CCC3c4cc(Br)c(O)c(Br)c4CCC3C1CCC2O;UTXNYGUZJLLOSP-UHFFFAOYSA-N;430.18;5.13;266051;;;;LEC;CPMM;25;0;"<a href=https://permm.phar.umich.edu/  target=_blank>PerMM web server</a>";;;;;;;;;0.63;;;;;;;;;;;;"Lomize AL, Pogozheva ID.: Physics-Based Method for Modeling Passive Membrane Permeability and Translocation Pathways of Bioactive Molecules. J Chem Inf Model, Volume 59 (7), 2019";"PerMM web server"
"Hydrochloric Acid";MM00654;Cl;VEXZGXHMUGYJMC-UHFFFAOYSA-N;36.46;0.42;313;;;;LEC;CPMM;25;0;"<a href=https://permm.phar.umich.edu/  target=_blank>PerMM web server</a>";;;;;;;;;0.94;;;;;;;;;;;;"Lomize AL, Pogozheva ID.: Physics-Based Method for Modeling Passive Membrane Permeability and Translocation Pathways of Bioactive Molecules. J Chem Inf Model, Volume 59 (7), 2019";"PerMM web server"
"Hydrochloric Acid";MM00654;Cl;VEXZGXHMUGYJMC-UHFFFAOYSA-N;36.46;0.42;313;;;;LEC;CPMM;25;-1;"<a href=https://permm.phar.umich.edu/  target=_blank>PerMM web server</a>";;;;;;;;;0.94;;;;;;;;;;;;"Lomize AL, Pogozheva ID.: Physics-Based Method for Modeling Passive Membrane Permeability and Translocation Pathways of Bioactive Molecules. J Chem Inf Model, Volume 59 (7), 2019";"PerMM web server"
Diphenhydramine;MM00478;CN(C)CCOC(c1ccccc1)c1ccccc1;ZZVUWRFHKOJYTH-UHFFFAOYSA-N;255.36;3.35;3100;DB01075;2PM;CHEMBL657;LEC;CPMM;25;+1;"pH=7.4 ,<a href=https://permm.phar.umich.edu/  target=_blank>PerMM web server</a>";;;;;;;;;1.19;;;;;;;;;;;;"Lomize AL, Pogozheva ID.: Physics-Based Method for Modeling Passive Membrane Permeability and Translocation Pathways of Bioactive Molecules. J Chem Inf Model, Volume 59 (7), 2019";"PerMM web server"
Fluoxetine;MM00082;CNCCC(Oc1ccc(C(F)(F)F)cc1)c1ccccc1;RTHCYVBBDHJXIQ-UHFFFAOYSA-N;309.33;4.44;3386;DB00472;;CHEMBL41;LEC;CPMM;25;+1;"pH=7.4 ,<a href=https://permm.phar.umich.edu/  target=_blank>PerMM web server</a>";;;;;;;;;-0.24;;;;;;;;;;;;"Lomize AL, Pogozheva ID.: Physics-Based Method for Modeling Passive Membrane Permeability and Translocation Pathways of Bioactive Molecules. J Chem Inf Model, Volume 59 (7), 2019";"PerMM web server"
8-chloro-6-(4-methylpiperazin-1-yl)benzo[b][1,4]benzoxazepine;MM00510;CN1CCN(C2=Nc3ccccc3Oc3ccc(Cl)cc32)CC1;XJGVXQDUIWGIRW-UHFFFAOYSA-N;327.82;3.77;3964;DB00408;;CHEMBL831;LEC;CPMM;25;+1;"pH=7.4 ,<a href=https://permm.phar.umich.edu/  target=_blank>PerMM web server</a>";;;;;;;;;0.17;;;;;;;;;;;;"Lomize AL, Pogozheva ID.: Physics-Based Method for Modeling Passive Membrane Permeability and Translocation Pathways of Bioactive Molecules. J Chem Inf Model, Volume 59 (7), 2019";"PerMM web server"
"Ethyl 1-methyl-4-phenylpiperidine-4-carboxylate";MM00511;CCOC(=O)C1(c2ccccc2)CCN(C)CC1;XADCESSVHJOZHK-UHFFFAOYSA-N;247.34;2.21;4058;DB00454;;CHEMBL607;LEC;CPMM;25;+1;"pH=7.4 ,<a href=https://permm.phar.umich.edu/  target=_blank>PerMM web server</a>";;;;;;;;;0.26;;;;;;;;;;;;"Lomize AL, Pogozheva ID.: Physics-Based Method for Modeling Passive Membrane Permeability and Translocation Pathways of Bioactive Molecules. J Chem Inf Model, Volume 59 (7), 2019";"PerMM web server"
Nelfinavir;MM00528;Cc1c(O)cccc1C(=O)NC(CSc1ccccc1)C(O)CN1CC2CCCCC2CC1C(=O)NC(C)(C)C;QAGYKUNXZHXKMR-UHFFFAOYSA-N;567.8;4.75;64143;DB00220;1UN;CHEMBL584;LEC;CPMM;25;+1;"pH=7.4 ,<a href=https://permm.phar.umich.edu/  target=_blank>PerMM web server</a>";;;;;;;;;0.5;;;;;;;;;;;;"Lomize AL, Pogozheva ID.: Physics-Based Method for Modeling Passive Membrane Permeability and Translocation Pathways of Bioactive Molecules. J Chem Inf Model, Volume 59 (7), 2019";"PerMM web server"
(2-butyl-1-benzofuran-3-yl){4-[2-(diethylamino)ethoxy]-3,5-diiodophenyl}methanone;MM00443;CCCCc1oc2ccccc2c1C(=O)c1cc(I)c(OCCN(CC)CC)c(I)c1;IYIKLHRQXLHMJQ-UHFFFAOYSA-N;645.32;6.94;2157;DB01118;BBI;CHEMBL633;LEC;CPMM;25;+1;"pH=7.4 ,<a href=https://permm.phar.umich.edu/  target=_blank>PerMM web server</a>";;;;;;;;;0.17;;;;;;;;;;;;"Lomize AL, Pogozheva ID.: Physics-Based Method for Modeling Passive Membrane Permeability and Translocation Pathways of Bioactive Molecules. J Chem Inf Model, Volume 59 (7), 2019";"PerMM web server"
Astemizole;MM00448;COc1ccc(CCN2CCC(Nc3nc4ccccc4n3Cc3ccc(F)cc3)CC2)cc1;GXDALQBWZGODGZ-UHFFFAOYSA-N;458.58;5.35;2247;DB00637;;CHEMBL296419;LEC;CPMM;25;+1;"pH=7.4 ,<a href=https://permm.phar.umich.edu/  target=_blank>PerMM web server</a>";;;;;;;;;0.28;;;;;;;;;;;;"Lomize AL, Pogozheva ID.: Physics-Based Method for Modeling Passive Membrane Permeability and Translocation Pathways of Bioactive Molecules. J Chem Inf Model, Volume 59 (7), 2019";"PerMM web server"
Lidocaine;MM00092;CCN(CC)CC(=O)Nc1c(C)cccc1C;NNJVILVZKWQKPM-UHFFFAOYSA-N;234.34;2.58;3676;DB00281;LQZ;CHEMBL79;LEC;CPMM;25;+1;"pH=7.4 ,<a href=https://permm.phar.umich.edu/  target=_blank>PerMM web server</a>";;;;;;;;;0.95;;;;;;;;;;;;"Lomize AL, Pogozheva ID.: Physics-Based Method for Modeling Passive Membrane Permeability and Translocation Pathways of Bioactive Molecules. J Chem Inf Model, Volume 59 (7), 2019";"PerMM web server"
5-methyl-2,5,19-triazatetracyclo[13.4.0.02,7.08,13]nonadeca-1(15),8,10,12,16,18-hexaene;MM00520;CN1CCN2c3ncccc3Cc3ccccc3C2C1;RONZAEMNMFQXRA-UHFFFAOYSA-N;265.36;2.48;4205;DB00370;;CHEMBL654;LEC;CPMM;25;+1;"pH=7.4 ,<a href=https://permm.phar.umich.edu/  target=_blank>PerMM web server</a>";;;;;;;;;1.06;;;;;;;;;;;;"Lomize AL, Pogozheva ID.: Physics-Based Method for Modeling Passive Membrane Permeability and Translocation Pathways of Bioactive Molecules. J Chem Inf Model, Volume 59 (7), 2019";"PerMM web server"
Nortriptyline;MM00280;CNCCC=C1c2ccccc2CCc2ccccc21;PHVGLTMQBUFIQQ-UHFFFAOYSA-N;263.38;3.83;4543;DB00540;21B;CHEMBL445;LEC;CPMM;25;+1;"pH=7.4 ,<a href=https://permm.phar.umich.edu/  target=_blank>PerMM web server</a>";;;;;;;;;0.86;;;;;;;;;;;;"Lomize AL, Pogozheva ID.: Physics-Based Method for Modeling Passive Membrane Permeability and Translocation Pathways of Bioactive Molecules. J Chem Inf Model, Volume 59 (7), 2019";"PerMM web server"
Olanzapine;MM00089;Cc1cc2c(s1)Nc1ccccc1N=C2N1CCN(C)CC1;KVWDHTXUZHCGIO-UHFFFAOYSA-N;312.44;3.44;4585;DB00334;;CHEMBL715;LEC;CPMM;25;+1;"pH=7.4 ,<a href=https://permm.phar.umich.edu/  target=_blank>PerMM web server</a>";;;;;;;;;-0.22;;;;;;;;;;;;"Lomize AL, Pogozheva ID.: Physics-Based Method for Modeling Passive Membrane Permeability and Translocation Pathways of Bioactive Molecules. J Chem Inf Model, Volume 59 (7), 2019";"PerMM web server"
Pentazocine;MM00536;CC(C)=CCN1CC[C@@]2(C)c3cc(O)ccc3C[C@@H]1[C@@H]2C;VOKSWYLNZZRQPF-GDIGMMSISA-N;285.43;3.88;441278;DB00652;;CHEMBL560;LEC;CPMM;25;+1;"pH=7.4 ,<a href=https://permm.phar.umich.edu/  target=_blank>PerMM web server</a>";;;;;;;;;0.86;;;;;;;;;;;;"Lomize AL, Pogozheva ID.: Physics-Based Method for Modeling Passive Membrane Permeability and Translocation Pathways of Bioactive Molecules. J Chem Inf Model, Volume 59 (7), 2019";"PerMM web server"
Promethazine;MM00550;CC(CN1c2ccccc2Sc2ccccc21)N(C)C;PWWVAXIEGOYWEE-UHFFFAOYSA-N;284.43;4.24;4927;DB01069;;CHEMBL643;LEC;CPMM;25;+1;"pH=7.4 ,<a href=https://permm.phar.umich.edu/  target=_blank>PerMM web server</a>";;;;;;;;;0.37;;;;;;;;;;;;"Lomize AL, Pogozheva ID.: Physics-Based Method for Modeling Passive Membrane Permeability and Translocation Pathways of Bioactive Molecules. J Chem Inf Model, Volume 59 (7), 2019";"PerMM web server"
Protriptyline;MM00553;CNCCCC1c2ccccc2C=Cc2ccccc21;BWPIARFWQZKAIA-UHFFFAOYSA-N;263.38;4.3;4976;DB00344;;CHEMBL668;LEC;CPMM;25;+1;"pH=7.4 ,<a href=https://permm.phar.umich.edu/  target=_blank>PerMM web server</a>";;;;;;;;;0.42;;;;;;;;;;;;"Lomize AL, Pogozheva ID.: Physics-Based Method for Modeling Passive Membrane Permeability and Translocation Pathways of Bioactive Molecules. J Chem Inf Model, Volume 59 (7), 2019";"PerMM web server"
Sertraline;MM00566;CN[C@H]1CC[C@@H](c2ccc(Cl)c(Cl)c2)c2ccccc21;VGKDLMBJGBXTGI-SJCJKPOMSA-N;306.24;5.18;68617;DB01104;SRE;CHEMBL809;LEC;CPMM;25;+1;"pH=7.4 ,<a href=https://permm.phar.umich.edu/  target=_blank>PerMM web server</a>";;;;;;;;;1.04;;;;;;;;;;;;"Lomize AL, Pogozheva ID.: Physics-Based Method for Modeling Passive Membrane Permeability and Translocation Pathways of Bioactive Molecules. J Chem Inf Model, Volume 59 (7), 2019";"PerMM web server"
Sufentanil;MM00304;CCC(=O)N(c1ccccc1)C1(COC)CCN(CCc2cccs2)CC1;GGCSSNBKKAUURC-UHFFFAOYSA-N;386.56;4.21;41693;DB00708;;CHEMBL658;LEC;CPMM;25;+1;"pH=7.4 ,<a href=https://permm.phar.umich.edu/  target=_blank>PerMM web server</a>";;;;;;;;;0.49;;;;;;;;;;;;"Lomize AL, Pogozheva ID.: Physics-Based Method for Modeling Passive Membrane Permeability and Translocation Pathways of Bioactive Molecules. J Chem Inf Model, Volume 59 (7), 2019";"PerMM web server"
10-[3-(4-methylpiperazin-1-yl)propyl]-2-(trifluoromethyl)phenothiazine;MM00578;CN1CCN(CCCN2c3ccccc3Sc3ccc(C(F)(F)F)cc32)CC1;ZEWQUBUPAILYHI-UHFFFAOYSA-N;407.51;4.95;5566;DB00831;TFP;CHEMBL422;LEC;CPMM;25;+1;"pH=7.4 ,<a href=https://permm.phar.umich.edu/  target=_blank>PerMM web server</a>";;;;;;;;;0.18;;;;;;;;;;;;"Lomize AL, Pogozheva ID.: Physics-Based Method for Modeling Passive Membrane Permeability and Translocation Pathways of Bioactive Molecules. J Chem Inf Model, Volume 59 (7), 2019";"PerMM web server"
Trimipramine;MM00254;CC(CN(C)C)CN1c2ccccc2CCc2ccccc21;ZSCDBOWYZJWBIY-UHFFFAOYSA-N;294.44;4.12;5584;DB00726;;CHEMBL644;LEC;CPMM;25;+1;"pH=7.4 ,<a href=https://permm.phar.umich.edu/  target=_blank>PerMM web server</a>";;;;;;;;;1.08;;;;;;;;;;;;"Lomize AL, Pogozheva ID.: Physics-Based Method for Modeling Passive Membrane Permeability and Translocation Pathways of Bioactive Molecules. J Chem Inf Model, Volume 59 (7), 2019";"PerMM web server"
Pramocaine;MM00546;CCCCOc1ccc(OCCCN2CCOCC2)cc1;DQKXQSGTHWVTAD-UHFFFAOYSA-N;293.41;2.97;4886;DB09345;PX9;CHEMBL1198;LEC;CPMM;25;+1;"pH=7.4 ,<a href=https://permm.phar.umich.edu/  target=_blank>PerMM web server</a>";;;;;;;;;0.56;;;;;;;;;;;;"Lomize AL, Pogozheva ID.: Physics-Based Method for Modeling Passive Membrane Permeability and Translocation Pathways of Bioactive Molecules. J Chem Inf Model, Volume 59 (7), 2019";"PerMM web server"
Dextromethorphan;MM00475;COc1ccc2c(c1)C13CCCCC1C(C2)N(C)CC3;MKXZASYAUGDDCJ-UHFFFAOYSA-N;271.4;3.38;5360696;DB00514;;CHEMBL52440;LEC;CPMM;25;+1;"pH=7.4 ,<a href=https://permm.phar.umich.edu/  target=_blank>PerMM web server</a>";;;;;;;;;0.29;;;;;;;;;;;;"Lomize AL, Pogozheva ID.: Physics-Based Method for Modeling Passive Membrane Permeability and Translocation Pathways of Bioactive Molecules. J Chem Inf Model, Volume 59 (7), 2019";"PerMM web server"
Loratadine;MM00385;CCOC(=O)N1CCC(=C2c3ccc(Cl)cc3CCc3cccnc32)CC1;JCCNYMKQOSZNPW-UHFFFAOYSA-N;382.89;4.89;3957;DB00455;;CHEMBL998;LEC;CPMM;25;0;"pH=7.4 ,<a href=https://permm.phar.umich.edu/  target=_blank>PerMM web server</a>";;;;;;;;;0.4;;;;;;;;;;;;"Lomize AL, Pogozheva ID.: Physics-Based Method for Modeling Passive Membrane Permeability and Translocation Pathways of Bioactive Molecules. J Chem Inf Model, Volume 59 (7), 2019";"PerMM web server"
Montelukast;MM00669;CC(C)(O)c1ccccc1CCC(SCC1(CC(=O)O)CC1)c1cccc(C=Cc2ccc3ccc(Cl)cc3n2)c1;UCHDWCPVSPXUMX-UHFFFAOYSA-N;586.2;8.95;5281040;DB00471;MTK;CHEMBL787;LEC;CPMM;25;-1;"pH=7.4 ,<a href=https://permm.phar.umich.edu/  target=_blank>PerMM web server</a>";;;;;;;;;0.69;;;;;;;;;;;;"Lomize AL, Pogozheva ID.: Physics-Based Method for Modeling Passive Membrane Permeability and Translocation Pathways of Bioactive Molecules. J Chem Inf Model, Volume 59 (7), 2019";"PerMM web server"
"Palmitic Acid";MM00678;CCCCCCCCCCCCCCCC(=O)O;IPCSVZSSVZVIGE-UHFFFAOYSA-N;256.43;5.55;985;DB03796;PLM;CHEMBL82293;LEC;CPMM;25;-1;"pH=7.4 ,<a href=https://permm.phar.umich.edu/  target=_blank>PerMM web server</a>";;;;;;;;;1.21;;;;;;;;;;;;"Lomize AL, Pogozheva ID.: Physics-Based Method for Modeling Passive Membrane Permeability and Translocation Pathways of Bioactive Molecules. J Chem Inf Model, Volume 59 (7), 2019";"PerMM web server"
4-iodo-1,5-dimethyl-2-phenylpyrazol-3-one;MM00377;Cc1c(I)c(=O)n(-c2ccccc2)n1C;ZZOBLCHCPLOXCE-UHFFFAOYSA-N;314.13;2.09;8522;;;;LEC;CPMM;25;0;"pH=7.4 ,<a href=https://permm.phar.umich.edu/  target=_blank>PerMM web server</a>";;;;;;;;;0.72;;;;;;;;;;;;"Lomize AL, Pogozheva ID.: Physics-Based Method for Modeling Passive Membrane Permeability and Translocation Pathways of Bioactive Molecules. J Chem Inf Model, Volume 59 (7), 2019";"PerMM web server"
"Ralimetinib Dimesylate";MM00417;CC(C)(C)Cn1c(N)nc2ccc(-c3[nH]c(C(C)(C)C)nc3-c3ccc(F)cc3)nc21.CS(=O)(=O)O.CS(=O)(=O)O;NARMJPIBAXVUIE-UHFFFAOYSA-N;612.75;4.56;11570805;;;;LEC;CPMM;25;0;"pH=7.4 ,<a href=https://permm.phar.umich.edu/  target=_blank>PerMM web server</a>";;;;;;;;;0.49;;;;;;;;;;;;"Lomize AL, Pogozheva ID.: Physics-Based Method for Modeling Passive Membrane Permeability and Translocation Pathways of Bioactive Molecules. J Chem Inf Model, Volume 59 (7), 2019";"PerMM web server"
11beta-Hydroxyprogesterone;MM00317;CC(=O)[C@H]1CC[C@H]2[C@@H]3CCC4=CC(=O)CC[C@]4(C)[C@H]3[C@@H](O)C[C@]12C;BFZHCUBIASXHPK-ATWVFEABSA-N;330.47;3.69;101788;;;;LEC;CPMM;25;0;"pH=7.4 ,<a href=https://permm.phar.umich.edu/  target=_blank>PerMM web server</a>";;;;;;;;;-0.06;;;;;;;;;;;;"Lomize AL, Pogozheva ID.: Physics-Based Method for Modeling Passive Membrane Permeability and Translocation Pathways of Bioactive Molecules. J Chem Inf Model, Volume 59 (7), 2019";"PerMM web server"
2,4-Dibromoestradiol;MM00319;CC12CCC3c4cc(Br)c(O)c(Br)c4CCC3C1CCC2O;UTXNYGUZJLLOSP-UHFFFAOYSA-N;430.18;5.13;266051;;;;LEC;CPMM;25;0;"pH=7.4 ,<a href=https://permm.phar.umich.edu/  target=_blank>PerMM web server</a>";;;;;;;;;0.63;;;;;;;;;;;;"Lomize AL, Pogozheva ID.: Physics-Based Method for Modeling Passive Membrane Permeability and Translocation Pathways of Bioactive Molecules. J Chem Inf Model, Volume 59 (7), 2019";"PerMM web server"
"Hydrochloric Acid";MM00654;Cl;VEXZGXHMUGYJMC-UHFFFAOYSA-N;36.46;0.42;313;;;;LEC;CPMM;25;0;"pH=7.4 ,<a href=https://permm.phar.umich.edu/  target=_blank>PerMM web server</a>";;;;;;;;;0.94;;;;;;;;;;;;"Lomize AL, Pogozheva ID.: Physics-Based Method for Modeling Passive Membrane Permeability and Translocation Pathways of Bioactive Molecules. J Chem Inf Model, Volume 59 (7), 2019";"PerMM web server"
"Hydrochloric Acid";MM00654;Cl;VEXZGXHMUGYJMC-UHFFFAOYSA-N;36.46;0.42;313;;;;LEC;CPMM;25;-1;"pH=7.4 ,<a href=https://permm.phar.umich.edu/  target=_blank>PerMM web server</a>";;;;;;;;;0.94;;;;;;;;;;;;"Lomize AL, Pogozheva ID.: Physics-Based Method for Modeling Passive Membrane Permeability and Translocation Pathways of Bioactive Molecules. J Chem Inf Model, Volume 59 (7), 2019";"PerMM web server"
Terfenadine;MM00571;CC(C)(C)c1ccc(C(O)CCCN2CCC(C(O)(c3ccccc3)c3ccccc3)CC2)cc1;GUGOEEXESWIERI-UHFFFAOYSA-N;471.69;6.45;5405;DB00342;;CHEMBL17157;LEC;CPMM;25;;"<a href=https://permm.phar.umich.edu/  target=_blank>PerMM web server</a>";;;;;;;;;1.55;;;;;;;;;;;;"Lomize AL, Pogozheva ID.: Physics-Based Method for Modeling Passive Membrane Permeability and Translocation Pathways of Bioactive Molecules. J Chem Inf Model, Volume 59 (7), 2019";"PerMM web server"
"2-(diethylamino)ethyl 4-aminobenzoate";MM00204;CCN(CC)CCOC(=O)c1ccc(N)cc1;MFDFERRIHVXMIY-UHFFFAOYSA-N;236.32;1.77;4914;DB00721;;CHEMBL569;LEC;CPMM;25;;"<a href=https://permm.phar.umich.edu/  target=_blank>PerMM web server</a>";;;;;;;;;-2.49;;;;;;;;;;;;"Lomize AL, Pogozheva ID.: Physics-Based Method for Modeling Passive Membrane Permeability and Translocation Pathways of Bioactive Molecules. J Chem Inf Model, Volume 59 (7), 2019";"PerMM web server"
"3,5-Dichlorobenzoic Acid";MM00603;O=C(O)c1cc(Cl)cc(Cl)c1;CXKCZFDUOYMOOP-UHFFFAOYSA-N;191.01;2.69;5811;;;;LEC;CPMM;25;;"pH=6.5 ,<a href=https://permm.phar.umich.edu/  target=_blank>PerMM web server</a>";;;;;;;;;-5.41;;;;;;;;;;;;"Lomize AL, Pogozheva ID.: Physics-Based Method for Modeling Passive Membrane Permeability and Translocation Pathways of Bioactive Molecules. J Chem Inf Model, Volume 59 (7), 2019";"PerMM web server"
Chlorpromazine;MM00461;CN(C)CCCN1c2ccccc2Sc2ccc(Cl)cc21;ZPEIMTDSQAKGNT-UHFFFAOYSA-N;318.87;4.89;2726;DB00477;Z80;CHEMBL71;LEC;CPMM;25;;"pH=7.4 ,<a href=https://permm.phar.umich.edu/  target=_blank>PerMM web server</a>";;;;;;;;;-0.65;;;;;;;;;;;;"Lomize AL, Pogozheva ID.: Physics-Based Method for Modeling Passive Membrane Permeability and Translocation Pathways of Bioactive Molecules. J Chem Inf Model, Volume 59 (7), 2019";"PerMM web server"
Loratadine;MM00385;CCOC(=O)N1CCC(=C2c3ccc(Cl)cc3CCc3cccnc32)CC1;JCCNYMKQOSZNPW-UHFFFAOYSA-N;382.89;4.89;3957;DB00455;;CHEMBL998;LEC;CPMM;25;;"pH=7.4 ,<a href=https://permm.phar.umich.edu/  target=_blank>PerMM web server</a>";;;;;;;;;0.4;;;;;;;;;;;;"Lomize AL, Pogozheva ID.: Physics-Based Method for Modeling Passive Membrane Permeability and Translocation Pathways of Bioactive Molecules. J Chem Inf Model, Volume 59 (7), 2019";"PerMM web server"
4-iodo-1,5-dimethyl-2-phenylpyrazol-3-one;MM00377;Cc1c(I)c(=O)n(-c2ccccc2)n1C;ZZOBLCHCPLOXCE-UHFFFAOYSA-N;314.13;2.09;8522;;;;LEC;CPMM;25;;"pH=7.4 ,<a href=https://permm.phar.umich.edu/  target=_blank>PerMM web server</a>";;;;;;;;;0.72;;;;;;;;;;;;"Lomize AL, Pogozheva ID.: Physics-Based Method for Modeling Passive Membrane Permeability and Translocation Pathways of Bioactive Molecules. J Chem Inf Model, Volume 59 (7), 2019";"PerMM web server"
"Ralimetinib Dimesylate";MM00417;CC(C)(C)Cn1c(N)nc2ccc(-c3[nH]c(C(C)(C)C)nc3-c3ccc(F)cc3)nc21.CS(=O)(=O)O.CS(=O)(=O)O;NARMJPIBAXVUIE-UHFFFAOYSA-N;612.75;4.56;11570805;;;;LEC;CPMM;25;;"pH=7.4 ,<a href=https://permm.phar.umich.edu/  target=_blank>PerMM web server</a>";;;;;;;;;0.49;;;;;;;;;;;;"Lomize AL, Pogozheva ID.: Physics-Based Method for Modeling Passive Membrane Permeability and Translocation Pathways of Bioactive Molecules. J Chem Inf Model, Volume 59 (7), 2019";"PerMM web server"
11beta-Hydroxyprogesterone;MM00317;CC(=O)[C@H]1CC[C@H]2[C@@H]3CCC4=CC(=O)CC[C@]4(C)[C@H]3[C@@H](O)C[C@]12C;BFZHCUBIASXHPK-ATWVFEABSA-N;330.47;3.69;101788;;;;LEC;CPMM;25;;"pH=7.4 ,<a href=https://permm.phar.umich.edu/  target=_blank>PerMM web server</a>";;;;;;;;;-0.06;;;;;;;;;;;;"Lomize AL, Pogozheva ID.: Physics-Based Method for Modeling Passive Membrane Permeability and Translocation Pathways of Bioactive Molecules. J Chem Inf Model, Volume 59 (7), 2019";"PerMM web server"
2,4-Dibromoestradiol;MM00319;CC12CCC3c4cc(Br)c(O)c(Br)c4CCC3C1CCC2O;UTXNYGUZJLLOSP-UHFFFAOYSA-N;430.18;5.13;266051;;;;LEC;CPMM;25;;"pH=7.4 ,<a href=https://permm.phar.umich.edu/  target=_blank>PerMM web server</a>";;;;;;;;;0.63;;;;;;;;;;;;"Lomize AL, Pogozheva ID.: Physics-Based Method for Modeling Passive Membrane Permeability and Translocation Pathways of Bioactive Molecules. J Chem Inf Model, Volume 59 (7), 2019";"PerMM web server"
"Hydrochloric Acid";MM00654;Cl;VEXZGXHMUGYJMC-UHFFFAOYSA-N;36.46;0.42;313;;;;LEC;CPMM;25;;"pH=7.4 ,<a href=https://permm.phar.umich.edu/  target=_blank>PerMM web server</a>";;;;;;;;;0.94;;;;;;;;;;;;"Lomize AL, Pogozheva ID.: Physics-Based Method for Modeling Passive Membrane Permeability and Translocation Pathways of Bioactive Molecules. J Chem Inf Model, Volume 59 (7), 2019";"PerMM web server"
MM474864;MM474864;CC(=O)NC(Cc1cc(F)cc(F)c1)C(O)CNC1(c2cccc(-n3ccnc3)c2)CCCCC1;AGZWJSVSGAGFQV-IZZNHLLZSA-N;482.58;4.01;49862161;;;CHEMBL1209056;MDCK;EMDCK;25;0;"from A to B, <a href=https://www.ebi.ac.uk/chembl/assay_report_card/CHEMBL1211028/  target=_blank>CHEMBL1211028</a>";;;;;;;;;-5.72;;;;;;;;;;;;"Truong AP, Probst GD, Aquino J, Fang L, Brogley L, Sealy JM, Hom RK, Tucker JA, John V, Tung JS, Pleiss MA, Konradi AW, Sham HL, Dappen MS, Tóth G, Yao N, Brecht E, Pan H, Artis DR, Ruslim L, Bova MP, Sinha S, Yednock TA, Zmolek W, Quinn KP, Sauer JM.: Improving the permeability of the hydroxyethylamine BACE-1 inhibitors: structure-activity relationship of P2' substituents. Bioorg Med Chem Lett, Volume 20 (16), 2010";ChEMBL
MM474865;MM474865;CC(=O)NC(Cc1cc(F)cc(F)c1)C(O)CNC1(c2cccc(-n3nccn3)c2)CCCCC1;OWCGQYLBTBEMDE-LOSJGSFVSA-N;483.56;3.4;49862162;;;CHEMBL1209057;MDCK;EMDCK;25;0;"from A to B, <a href=https://www.ebi.ac.uk/chembl/assay_report_card/CHEMBL1211028/  target=_blank>CHEMBL1211028</a>";;;;;;;;;-5.35;;;;;;;;;;;;"Truong AP, Probst GD, Aquino J, Fang L, Brogley L, Sealy JM, Hom RK, Tucker JA, John V, Tung JS, Pleiss MA, Konradi AW, Sham HL, Dappen MS, Tóth G, Yao N, Brecht E, Pan H, Artis DR, Ruslim L, Bova MP, Sinha S, Yednock TA, Zmolek W, Quinn KP, Sauer JM.: Improving the permeability of the hydroxyethylamine BACE-1 inhibitors: structure-activity relationship of P2' substituents. Bioorg Med Chem Lett, Volume 20 (16), 2010";ChEMBL
MM474866;MM474866;CC(=O)NC(Cc1cc(F)cc(F)c1)C(O)CNC1(c2cccc(C3CCCO3)c2)CCCCC1;ABEHCBWGIABROV-AJRFNQODSA-N;486.6;4.67;49862203;;;CHEMBL1209105;MDCK;EMDCK;25;0;"from A to B, <a href=https://www.ebi.ac.uk/chembl/assay_report_card/CHEMBL1211028/  target=_blank>CHEMBL1211028</a>";;;;;;;;;-4.93;;;;;;;;;;;;"Truong AP, Probst GD, Aquino J, Fang L, Brogley L, Sealy JM, Hom RK, Tucker JA, John V, Tung JS, Pleiss MA, Konradi AW, Sham HL, Dappen MS, Tóth G, Yao N, Brecht E, Pan H, Artis DR, Ruslim L, Bova MP, Sinha S, Yednock TA, Zmolek W, Quinn KP, Sauer JM.: Improving the permeability of the hydroxyethylamine BACE-1 inhibitors: structure-activity relationship of P2' substituents. Bioorg Med Chem Lett, Volume 20 (16), 2010";ChEMBL
MM474867;MM474867;CC(=O)NC(Cc1cc(F)cc(F)c1)C(O)CNC1(c2cccc(C3CCOC3)c2)CCCCC1;;486.6;4.33;46927945;;;CHEMBL1209106;MDCK;EMDCK;25;0;"from A to B, <a href=https://www.ebi.ac.uk/chembl/assay_report_card/CHEMBL1211028/  target=_blank>CHEMBL1211028</a>";;;;;;;;;-5;;;;;;;;;;;;"Truong AP, Probst GD, Aquino J, Fang L, Brogley L, Sealy JM, Hom RK, Tucker JA, John V, Tung JS, Pleiss MA, Konradi AW, Sham HL, Dappen MS, Tóth G, Yao N, Brecht E, Pan H, Artis DR, Ruslim L, Bova MP, Sinha S, Yednock TA, Zmolek W, Quinn KP, Sauer JM.: Improving the permeability of the hydroxyethylamine BACE-1 inhibitors: structure-activity relationship of P2' substituents. Bioorg Med Chem Lett, Volume 20 (16), 2010";ChEMBL
MM474868;MM474868;CC(=O)NC(Cc1cc(F)cc(F)c1)C(O)CNC1(c2cccc(N3CCCC3=O)c2)CCCCC1;WLNJAXBWILAYMG-IZZNHLLZSA-N;499.6;3.95;49862204;;;CHEMBL1209107;MDCK;EMDCK;25;0;"from A to B, <a href=https://www.ebi.ac.uk/chembl/assay_report_card/CHEMBL1211028/  target=_blank>CHEMBL1211028</a>";;;;;;;;;-5.62;;;;;;;;;;;;"Truong AP, Probst GD, Aquino J, Fang L, Brogley L, Sealy JM, Hom RK, Tucker JA, John V, Tung JS, Pleiss MA, Konradi AW, Sham HL, Dappen MS, Tóth G, Yao N, Brecht E, Pan H, Artis DR, Ruslim L, Bova MP, Sinha S, Yednock TA, Zmolek W, Quinn KP, Sauer JM.: Improving the permeability of the hydroxyethylamine BACE-1 inhibitors: structure-activity relationship of P2' substituents. Bioorg Med Chem Lett, Volume 20 (16), 2010";ChEMBL
MM474869;MM474869;CC(=O)N[C@@H](Cc1cc(F)cc(F)c1)[C@H](O)CNC1(c2cccc(N3CCOC3=O)c2)CCCCC1;YXVNISVSDYADOS-LOSJGSFVSA-N;501.57;3.78;;;;;MDCK;EMDCK;25;0;"from A to B, <a href=https://www.ebi.ac.uk/chembl/assay_report_card/CHEMBL1211028/  target=_blank>CHEMBL1211028</a>";;;;;;;;;-5.66;;;;;;;;;;;;"Truong AP, Probst GD, Aquino J, Fang L, Brogley L, Sealy JM, Hom RK, Tucker JA, John V, Tung JS, Pleiss MA, Konradi AW, Sham HL, Dappen MS, Tóth G, Yao N, Brecht E, Pan H, Artis DR, Ruslim L, Bova MP, Sinha S, Yednock TA, Zmolek W, Quinn KP, Sauer JM.: Improving the permeability of the hydroxyethylamine BACE-1 inhibitors: structure-activity relationship of P2' substituents. Bioorg Med Chem Lett, Volume 20 (16), 2010";ChEMBL
MM474870;MM474870;CC(=O)N[C@@H](Cc1cc(F)cc(F)c1)[C@H](O)CNC1(c2cccc(N3CCNC3=O)c2)CCCCC1;FKHMBXUPOKQOFP-LOSJGSFVSA-N;500.59;3.35;;;;;MDCK;EMDCK;25;0;"from A to B, <a href=https://www.ebi.ac.uk/chembl/assay_report_card/CHEMBL1211028/  target=_blank>CHEMBL1211028</a>";;;;;;;;;-6.15;;;;;;;;;;;;"Truong AP, Probst GD, Aquino J, Fang L, Brogley L, Sealy JM, Hom RK, Tucker JA, John V, Tung JS, Pleiss MA, Konradi AW, Sham HL, Dappen MS, Tóth G, Yao N, Brecht E, Pan H, Artis DR, Ruslim L, Bova MP, Sinha S, Yednock TA, Zmolek W, Quinn KP, Sauer JM.: Improving the permeability of the hydroxyethylamine BACE-1 inhibitors: structure-activity relationship of P2' substituents. Bioorg Med Chem Lett, Volume 20 (16), 2010";ChEMBL
MM474871;MM474871;CC(=O)NC(Cc1cc(F)cc(F)c1)C(O)CNC1(c2cccc(C3CCCC3=O)c2)CCCCC1;BYVHUPDBTJVHPS-ZLEDJERYSA-N;498.61;4.66;49862245;;;CHEMBL1209167;MDCK;EMDCK;25;0;"from A to B, <a href=https://www.ebi.ac.uk/chembl/assay_report_card/CHEMBL1211028/  target=_blank>CHEMBL1211028</a>";;;;;;;;;-5.29;;;;;;;;;;;;"Truong AP, Probst GD, Aquino J, Fang L, Brogley L, Sealy JM, Hom RK, Tucker JA, John V, Tung JS, Pleiss MA, Konradi AW, Sham HL, Dappen MS, Tóth G, Yao N, Brecht E, Pan H, Artis DR, Ruslim L, Bova MP, Sinha S, Yednock TA, Zmolek W, Quinn KP, Sauer JM.: Improving the permeability of the hydroxyethylamine BACE-1 inhibitors: structure-activity relationship of P2' substituents. Bioorg Med Chem Lett, Volume 20 (16), 2010";ChEMBL
MM474872;MM474872;CC(=O)NC(Cc1cc(F)cc(F)c1)C(O)CNC1(c2cccc(N3C(=O)C4CCC3C4)c2)CCCCC1;OYEGKOBVNHEMFR-YSDFFMNWSA-N;525.64;4.34;49862291;;;CHEMBL1209221;MDCK;EMDCK;25;0;"from A to B, <a href=https://www.ebi.ac.uk/chembl/assay_report_card/CHEMBL1211028/  target=_blank>CHEMBL1211028</a>";;;;;;;;;-5.51;;;;;;;;;;;;"Truong AP, Probst GD, Aquino J, Fang L, Brogley L, Sealy JM, Hom RK, Tucker JA, John V, Tung JS, Pleiss MA, Konradi AW, Sham HL, Dappen MS, Tóth G, Yao N, Brecht E, Pan H, Artis DR, Ruslim L, Bova MP, Sinha S, Yednock TA, Zmolek W, Quinn KP, Sauer JM.: Improving the permeability of the hydroxyethylamine BACE-1 inhibitors: structure-activity relationship of P2' substituents. Bioorg Med Chem Lett, Volume 20 (16), 2010";ChEMBL
MM474873;MM474873;CC(=O)NC(Cc1cc(F)cc(F)c1)C(O)CNC1(c2cccc(N3CCCCC3=O)c2)CCCCC1;KNSUFDSYTXUXKM-RRPNLBNLSA-N;513.63;4.34;49862292;;;CHEMBL1209222;MDCK;EMDCK;25;0;"from A to B, <a href=https://www.ebi.ac.uk/chembl/assay_report_card/CHEMBL1211028/  target=_blank>CHEMBL1211028</a>";;;;;;;;;-5.96;;;;;;;;;;;;"Truong AP, Probst GD, Aquino J, Fang L, Brogley L, Sealy JM, Hom RK, Tucker JA, John V, Tung JS, Pleiss MA, Konradi AW, Sham HL, Dappen MS, Tóth G, Yao N, Brecht E, Pan H, Artis DR, Ruslim L, Bova MP, Sinha S, Yednock TA, Zmolek W, Quinn KP, Sauer JM.: Improving the permeability of the hydroxyethylamine BACE-1 inhibitors: structure-activity relationship of P2' substituents. Bioorg Med Chem Lett, Volume 20 (16), 2010";ChEMBL
MM474874;MM474874;CC(=O)NC(Cc1cc(F)cc(F)c1)C(O)CNC1(c2cccc(N3CCOCC3=O)c2)CCCCC1;HKSCWIPGCWNQID-IZZNHLLZSA-N;515.6;3.19;49862293;;;CHEMBL1209223;MDCK;EMDCK;25;0;"from A to B, <a href=https://www.ebi.ac.uk/chembl/assay_report_card/CHEMBL1211028/  target=_blank>CHEMBL1211028</a>";;;;;;;;;-6.1;;;;;;;;;;;;"Truong AP, Probst GD, Aquino J, Fang L, Brogley L, Sealy JM, Hom RK, Tucker JA, John V, Tung JS, Pleiss MA, Konradi AW, Sham HL, Dappen MS, Tóth G, Yao N, Brecht E, Pan H, Artis DR, Ruslim L, Bova MP, Sinha S, Yednock TA, Zmolek W, Quinn KP, Sauer JM.: Improving the permeability of the hydroxyethylamine BACE-1 inhibitors: structure-activity relationship of P2' substituents. Bioorg Med Chem Lett, Volume 20 (16), 2010";ChEMBL
MM474875;MM474875;CC(=O)NC(Cc1cc(F)cc(F)c1)C(O)CNC1(c2cccc(N3CCCNC3=O)c2)CCCCC1;ZKBURWOWKRJMHV-IZZNHLLZSA-N;514.62;3.74;49862343;;;CHEMBL1209284;MDCK;EMDCK;25;0;"from A to B, <a href=https://www.ebi.ac.uk/chembl/assay_report_card/CHEMBL1211028/  target=_blank>CHEMBL1211028</a>";;;;;;;;;-6.7;;;;;;;;;;;;"Truong AP, Probst GD, Aquino J, Fang L, Brogley L, Sealy JM, Hom RK, Tucker JA, John V, Tung JS, Pleiss MA, Konradi AW, Sham HL, Dappen MS, Tóth G, Yao N, Brecht E, Pan H, Artis DR, Ruslim L, Bova MP, Sinha S, Yednock TA, Zmolek W, Quinn KP, Sauer JM.: Improving the permeability of the hydroxyethylamine BACE-1 inhibitors: structure-activity relationship of P2' substituents. Bioorg Med Chem Lett, Volume 20 (16), 2010";ChEMBL
MM474876;MM474876;CC(=O)NC(Cc1cc(F)cc(F)c1)C(O)CNC1(c2cccc(N3CCCOCC3=O)c2)CCCCC1;PCWSXIPKKVFNIH-RRPNLBNLSA-N;529.63;3.58;49862344;;;CHEMBL1209285;MDCK;EMDCK;25;0;"from A to B, <a href=https://www.ebi.ac.uk/chembl/assay_report_card/CHEMBL1211028/  target=_blank>CHEMBL1211028</a>";;;;;;;;;-6.3;;;;;;;;;;;;"Truong AP, Probst GD, Aquino J, Fang L, Brogley L, Sealy JM, Hom RK, Tucker JA, John V, Tung JS, Pleiss MA, Konradi AW, Sham HL, Dappen MS, Tóth G, Yao N, Brecht E, Pan H, Artis DR, Ruslim L, Bova MP, Sinha S, Yednock TA, Zmolek W, Quinn KP, Sauer JM.: Improving the permeability of the hydroxyethylamine BACE-1 inhibitors: structure-activity relationship of P2' substituents. Bioorg Med Chem Lett, Volume 20 (16), 2010";ChEMBL
MM474877;MM474877;CC(=O)NC(Cc1cc(F)cc(F)c1)C(O)CNC1(c2cccc(C3CCOCOC3)c2)CCCCC1;SNCUIVJNMNJXKM-WHWDJVTISA-N;516.63;4.3;49862345;;;CHEMBL1209286;MDCK;EMDCK;25;0;"from A to B, <a href=https://www.ebi.ac.uk/chembl/assay_report_card/CHEMBL1211028/  target=_blank>CHEMBL1211028</a>";;;;;;;;;-4.86;;;;;;;;;;;;"Truong AP, Probst GD, Aquino J, Fang L, Brogley L, Sealy JM, Hom RK, Tucker JA, John V, Tung JS, Pleiss MA, Konradi AW, Sham HL, Dappen MS, Tóth G, Yao N, Brecht E, Pan H, Artis DR, Ruslim L, Bova MP, Sinha S, Yednock TA, Zmolek W, Quinn KP, Sauer JM.: Improving the permeability of the hydroxyethylamine BACE-1 inhibitors: structure-activity relationship of P2' substituents. Bioorg Med Chem Lett, Volume 20 (16), 2010";ChEMBL
MM474878;MM474878;CC(=O)NC(Cc1cc(F)cc(F)c1)C(O)CNC1(c2cccc(N3CCCOCC3)c2)CCCCC1;LKMGTFRKDSLFSR-WUFINQPMSA-N;515.65;4.05;49862408;;;CHEMBL1209355;MDCK;EMDCK;25;0;"from A to B, <a href=https://www.ebi.ac.uk/chembl/assay_report_card/CHEMBL1211028/  target=_blank>CHEMBL1211028</a>";;;;;;;;;-4.97;;;;;;;;;;;;"Truong AP, Probst GD, Aquino J, Fang L, Brogley L, Sealy JM, Hom RK, Tucker JA, John V, Tung JS, Pleiss MA, Konradi AW, Sham HL, Dappen MS, Tóth G, Yao N, Brecht E, Pan H, Artis DR, Ruslim L, Bova MP, Sinha S, Yednock TA, Zmolek W, Quinn KP, Sauer JM.: Improving the permeability of the hydroxyethylamine BACE-1 inhibitors: structure-activity relationship of P2' substituents. Bioorg Med Chem Lett, Volume 20 (16), 2010";ChEMBL
MM474879;MM474879;CC(=O)NC(Cc1cc(F)cc(F)c1)C(O)CNC1(c2cccc(C3CCCO3)c2)CC1;DGXDCVZUXDMTLV-XAGPSQNTSA-N;444.52;3.5;49862409;;;CHEMBL1209356;MDCK;EMDCK;25;0;"from A to B, <a href=https://www.ebi.ac.uk/chembl/assay_report_card/CHEMBL1211028/  target=_blank>CHEMBL1211028</a>";;;;;;;;;-4.94;;;;;;;;;;;;"Truong AP, Probst GD, Aquino J, Fang L, Brogley L, Sealy JM, Hom RK, Tucker JA, John V, Tung JS, Pleiss MA, Konradi AW, Sham HL, Dappen MS, Tóth G, Yao N, Brecht E, Pan H, Artis DR, Ruslim L, Bova MP, Sinha S, Yednock TA, Zmolek W, Quinn KP, Sauer JM.: Improving the permeability of the hydroxyethylamine BACE-1 inhibitors: structure-activity relationship of P2' substituents. Bioorg Med Chem Lett, Volume 20 (16), 2010";ChEMBL
MM474880;MM474880;CC(=O)NC(Cc1cc(F)cc(F)c1)C(O)CNC1(c2cccc(C3(C)CCCO3)c2)CC1;MPYBDRDFSBFESO-ZXABPTRBSA-N;458.55;3.68;49862410;;;CHEMBL1209357;MDCK;EMDCK;25;0;"from A to B, <a href=https://www.ebi.ac.uk/chembl/assay_report_card/CHEMBL1211028/  target=_blank>CHEMBL1211028</a>";;;;;;;;;-5.05;;;;;;;;;;;;"Truong AP, Probst GD, Aquino J, Fang L, Brogley L, Sealy JM, Hom RK, Tucker JA, John V, Tung JS, Pleiss MA, Konradi AW, Sham HL, Dappen MS, Tóth G, Yao N, Brecht E, Pan H, Artis DR, Ruslim L, Bova MP, Sinha S, Yednock TA, Zmolek W, Quinn KP, Sauer JM.: Improving the permeability of the hydroxyethylamine BACE-1 inhibitors: structure-activity relationship of P2' substituents. Bioorg Med Chem Lett, Volume 20 (16), 2010";ChEMBL
MM474881;MM474881;CC(=O)NC(Cc1cc(F)cc(F)c1)C(O)CNC1(c2cccc(C3CCCCO3)c2)CC1;OPNYLVKDDWJTDR-ZXABPTRBSA-N;458.55;3.89;49862411;;;CHEMBL1209358;MDCK;EMDCK;25;0;"from A to B, <a href=https://www.ebi.ac.uk/chembl/assay_report_card/CHEMBL1211028/  target=_blank>CHEMBL1211028</a>";;;;;;;;;-4.95;;;;;;;;;;;;"Truong AP, Probst GD, Aquino J, Fang L, Brogley L, Sealy JM, Hom RK, Tucker JA, John V, Tung JS, Pleiss MA, Konradi AW, Sham HL, Dappen MS, Tóth G, Yao N, Brecht E, Pan H, Artis DR, Ruslim L, Bova MP, Sinha S, Yednock TA, Zmolek W, Quinn KP, Sauer JM.: Improving the permeability of the hydroxyethylamine BACE-1 inhibitors: structure-activity relationship of P2' substituents. Bioorg Med Chem Lett, Volume 20 (16), 2010";ChEMBL
MM474882;MM474882;CC(=O)NC(Cc1cc(F)cc(F)c1)C(O)CNC1(c2cccc(C3COCCO3)c2)CC1;NGSPCALCYZCXEJ-XAGPSQNTSA-N;460.52;2.74;49862453;;;CHEMBL1209418;MDCK;EMDCK;25;0;"from A to B, <a href=https://www.ebi.ac.uk/chembl/assay_report_card/CHEMBL1211028/  target=_blank>CHEMBL1211028</a>";;;;;;;;;-5;;;;;;;;;;;;"Truong AP, Probst GD, Aquino J, Fang L, Brogley L, Sealy JM, Hom RK, Tucker JA, John V, Tung JS, Pleiss MA, Konradi AW, Sham HL, Dappen MS, Tóth G, Yao N, Brecht E, Pan H, Artis DR, Ruslim L, Bova MP, Sinha S, Yednock TA, Zmolek W, Quinn KP, Sauer JM.: Improving the permeability of the hydroxyethylamine BACE-1 inhibitors: structure-activity relationship of P2' substituents. Bioorg Med Chem Lett, Volume 20 (16), 2010";ChEMBL
MM474883;MM474883;CC(=O)NC(Cc1cc(F)cc(F)c1)C(O)CNC1(c2cccc(N3CC4CC3CO4)c2)CC1;VVZYJILCHBDRDY-ZOOXZOTBSA-N;471.55;2.63;49862454;;;CHEMBL1209419;MDCK;EMDCK;25;0;"from A to B, <a href=https://www.ebi.ac.uk/chembl/assay_report_card/CHEMBL1211028/  target=_blank>CHEMBL1211028</a>";;;;;;;;;-4.86;;;;;;;;;;;;"Truong AP, Probst GD, Aquino J, Fang L, Brogley L, Sealy JM, Hom RK, Tucker JA, John V, Tung JS, Pleiss MA, Konradi AW, Sham HL, Dappen MS, Tóth G, Yao N, Brecht E, Pan H, Artis DR, Ruslim L, Bova MP, Sinha S, Yednock TA, Zmolek W, Quinn KP, Sauer JM.: Improving the permeability of the hydroxyethylamine BACE-1 inhibitors: structure-activity relationship of P2' substituents. Bioorg Med Chem Lett, Volume 20 (16), 2010";ChEMBL
MM474893;MM474893;O=C(NCC(NC(=O)c1c(Cl)cc2c(c1Cl)CCN(C(=O)c1ccc3ccoc3c1)C2)C(=O)O)c1cccs1;;586.45;4.61;11399131;;;CHEMBL1222288;MDCK;EMDCK;25;0;"from A to B, <a href=https://www.ebi.ac.uk/chembl/assay_report_card/CHEMBL1227417/  target=_blank>CHEMBL1227417</a>";;;;;;;;;-6.47;;;;;;;;;;;;"Zhong M, Shen W, Barr KJ, Arbitrario JP, Arkin MR, Bui M, Chen T, Cunningham BC, Evanchik MJ, Hanan EJ, Hoch U, Huen K, Hyde J, Kumer JL, Lac T, Lawrence CE, Martell JR, Oslob JD, Paulvannan K, Prabhu S, Silverman JA, Wright J, Yu CH, Zhu J, Flanagan WM.: Discovery of tetrahydroisoquinoline (THIQ) derivatives as potent and orally bioavailable LFA-1/ICAM-1 antagonists. Bioorg Med Chem Lett, Volume 20 (17), 2010";ChEMBL
MM474894;MM474894;CCOC(=O)C(CNC(=O)c1cccs1)NC(=O)c1c(Cl)cc2c(c1Cl)CCN(C(=O)c1ccc3ccoc3c1)C2;;614.51;5.09;46935021;;;CHEMBL1222291;MDCK;EMDCK;25;0;"from A to B, <a href=https://www.ebi.ac.uk/chembl/assay_report_card/CHEMBL1227417/  target=_blank>CHEMBL1227417</a>";;;;;;;;;-5.07;;;;;;;;;;;;"Zhong M, Shen W, Barr KJ, Arbitrario JP, Arkin MR, Bui M, Chen T, Cunningham BC, Evanchik MJ, Hanan EJ, Hoch U, Huen K, Hyde J, Kumer JL, Lac T, Lawrence CE, Martell JR, Oslob JD, Paulvannan K, Prabhu S, Silverman JA, Wright J, Yu CH, Zhu J, Flanagan WM.: Discovery of tetrahydroisoquinoline (THIQ) derivatives as potent and orally bioavailable LFA-1/ICAM-1 antagonists. Bioorg Med Chem Lett, Volume 20 (17), 2010";ChEMBL
MM474904;MM474904;Cn1ncc2c(Nc3ccc(S(C)(=O)=O)cc3)nc(-c3cccc4[nH]ncc34)nc21;;419.47;3.05;;;;CHEMBL1257534;MDCK;EMDCK;25;0;"from A to B, <a href=https://www.ebi.ac.uk/chembl/assay_report_card/CHEMBL1260873/  target=_blank>CHEMBL1260873</a>";;;;;;;;;-6.43;;;;;;;;;;;;"Staben ST, Heffron TP, Sutherlin DP, Bhat SR, Castanedo GM, Chuckowree IS, Dotson J, Folkes AJ, Friedman LS, Lee L, Lesnick J, Lewis C, Murray JM, Nonomiya J, Olivero AG, Plise E, Pang J, Prior WW, Salphati L, Rouge L, Sampath D, Tsui V, Wan NC, Wang S, Weismann C, Wu P, Zhu BY.: Structure-based optimization of pyrazolo-pyrimidine and -pyridine inhibitors of PI3-kinase. Bioorg Med Chem Lett, Volume 20 (20), 2010";ChEMBL
MM474904;MM474904;Cn1ncc2c(Nc3ccc(S(C)(=O)=O)cc3)nc(-c3cccc4[nH]ncc34)nc21;;419.47;3.05;;;;CHEMBL1257534;MDCK;EMDCK;25;0;"from A to B, <a href=https://www.ebi.ac.uk/chembl/assay_report_card/CHEMBL1260875/  target=_blank>CHEMBL1260875</a>";;;;;;;;;-7.52;;;;;;;;;;;;"Staben ST, Heffron TP, Sutherlin DP, Bhat SR, Castanedo GM, Chuckowree IS, Dotson J, Folkes AJ, Friedman LS, Lee L, Lesnick J, Lewis C, Murray JM, Nonomiya J, Olivero AG, Plise E, Pang J, Prior WW, Salphati L, Rouge L, Sampath D, Tsui V, Wan NC, Wang S, Weismann C, Wu P, Zhu BY.: Structure-based optimization of pyrazolo-pyrimidine and -pyridine inhibitors of PI3-kinase. Bioorg Med Chem Lett, Volume 20 (20), 2010";ChEMBL
MM474904;MM474904;Cn1ncc2c(Nc3ccc(S(C)(=O)=O)cc3)nc(-c3cccc4[nH]ncc34)nc21;;419.47;3.05;;;;CHEMBL1257534;MDCK;EMDCK;25;0;"from A to B, <a href=https://www.ebi.ac.uk/chembl/assay_report_card/CHEMBL1260880/  target=_blank>CHEMBL1260880</a>";;;;;;;;;-6.2;;;;;;;;;;;;"Staben ST, Heffron TP, Sutherlin DP, Bhat SR, Castanedo GM, Chuckowree IS, Dotson J, Folkes AJ, Friedman LS, Lee L, Lesnick J, Lewis C, Murray JM, Nonomiya J, Olivero AG, Plise E, Pang J, Prior WW, Salphati L, Rouge L, Sampath D, Tsui V, Wan NC, Wang S, Weismann C, Wu P, Zhu BY.: Structure-based optimization of pyrazolo-pyrimidine and -pyridine inhibitors of PI3-kinase. Bioorg Med Chem Lett, Volume 20 (20), 2010";ChEMBL
MM474905;MM474905;Cn1ncc2c(Oc3ccc(S(C)(=O)=O)cc3)nc(-c3cccc4[nH]ncc34)nc21;;420.45;3.1;;;;CHEMBL1257535;MDCK;EMDCK;25;0;"from A to B, <a href=https://www.ebi.ac.uk/chembl/assay_report_card/CHEMBL1260873/  target=_blank>CHEMBL1260873</a>";;;;;;;;;-5.6;;;;;;;;;;;;"Staben ST, Heffron TP, Sutherlin DP, Bhat SR, Castanedo GM, Chuckowree IS, Dotson J, Folkes AJ, Friedman LS, Lee L, Lesnick J, Lewis C, Murray JM, Nonomiya J, Olivero AG, Plise E, Pang J, Prior WW, Salphati L, Rouge L, Sampath D, Tsui V, Wan NC, Wang S, Weismann C, Wu P, Zhu BY.: Structure-based optimization of pyrazolo-pyrimidine and -pyridine inhibitors of PI3-kinase. Bioorg Med Chem Lett, Volume 20 (20), 2010";ChEMBL
MM474905;MM474905;Cn1ncc2c(Oc3ccc(S(C)(=O)=O)cc3)nc(-c3cccc4[nH]ncc34)nc21;;420.45;3.1;;;;CHEMBL1257535;MDCK;EMDCK;25;0;"from A to B, <a href=https://www.ebi.ac.uk/chembl/assay_report_card/CHEMBL1260875/  target=_blank>CHEMBL1260875</a>";;;;;;;;;-7.3;;;;;;;;;;;;"Staben ST, Heffron TP, Sutherlin DP, Bhat SR, Castanedo GM, Chuckowree IS, Dotson J, Folkes AJ, Friedman LS, Lee L, Lesnick J, Lewis C, Murray JM, Nonomiya J, Olivero AG, Plise E, Pang J, Prior WW, Salphati L, Rouge L, Sampath D, Tsui V, Wan NC, Wang S, Weismann C, Wu P, Zhu BY.: Structure-based optimization of pyrazolo-pyrimidine and -pyridine inhibitors of PI3-kinase. Bioorg Med Chem Lett, Volume 20 (20), 2010";ChEMBL
MM474906;MM474906;Cn1ncc2c(-c3ccc(S(C)(=O)=O)cc3)nc(-c3cccc4[nH]ncc34)nc21;;404.46;2.98;;;;CHEMBL1257652;MDCK;EMDCK;25;0;"from A to B, <a href=https://www.ebi.ac.uk/chembl/assay_report_card/CHEMBL1260873/  target=_blank>CHEMBL1260873</a>";;;;;;;;;-4.5;;;;;;;;;;;;"Staben ST, Heffron TP, Sutherlin DP, Bhat SR, Castanedo GM, Chuckowree IS, Dotson J, Folkes AJ, Friedman LS, Lee L, Lesnick J, Lewis C, Murray JM, Nonomiya J, Olivero AG, Plise E, Pang J, Prior WW, Salphati L, Rouge L, Sampath D, Tsui V, Wan NC, Wang S, Weismann C, Wu P, Zhu BY.: Structure-based optimization of pyrazolo-pyrimidine and -pyridine inhibitors of PI3-kinase. Bioorg Med Chem Lett, Volume 20 (20), 2010";ChEMBL
MM474906;MM474906;Cn1ncc2c(-c3ccc(S(C)(=O)=O)cc3)nc(-c3cccc4[nH]ncc34)nc21;;404.46;2.98;;;;CHEMBL1257652;MDCK;EMDCK;25;0;"from A to B, <a href=https://www.ebi.ac.uk/chembl/assay_report_card/CHEMBL1260875/  target=_blank>CHEMBL1260875</a>";;;;;;;;;-5.42;;;;;;;;;;;;"Staben ST, Heffron TP, Sutherlin DP, Bhat SR, Castanedo GM, Chuckowree IS, Dotson J, Folkes AJ, Friedman LS, Lee L, Lesnick J, Lewis C, Murray JM, Nonomiya J, Olivero AG, Plise E, Pang J, Prior WW, Salphati L, Rouge L, Sampath D, Tsui V, Wan NC, Wang S, Weismann C, Wu P, Zhu BY.: Structure-based optimization of pyrazolo-pyrimidine and -pyridine inhibitors of PI3-kinase. Bioorg Med Chem Lett, Volume 20 (20), 2010";ChEMBL
MM474907;MM474907;Cn1ncc2c(Oc3ccc(S(C)(=O)=O)cc3)cc(-c3cccc4[nH]ncc34)nc21;;419.47;3.71;;;;CHEMBL1257653;MDCK;EMDCK;25;0;"from A to B, <a href=https://www.ebi.ac.uk/chembl/assay_report_card/CHEMBL1260873/  target=_blank>CHEMBL1260873</a>";;;;;;;;;-4.86;;;;;;;;;;;;"Staben ST, Heffron TP, Sutherlin DP, Bhat SR, Castanedo GM, Chuckowree IS, Dotson J, Folkes AJ, Friedman LS, Lee L, Lesnick J, Lewis C, Murray JM, Nonomiya J, Olivero AG, Plise E, Pang J, Prior WW, Salphati L, Rouge L, Sampath D, Tsui V, Wan NC, Wang S, Weismann C, Wu P, Zhu BY.: Structure-based optimization of pyrazolo-pyrimidine and -pyridine inhibitors of PI3-kinase. Bioorg Med Chem Lett, Volume 20 (20), 2010";ChEMBL
MM474929;MM474929;CC(=O)NC[C@H]1CN(c2ccc(N3CCOCC3)c(F)c2)C(=O)O1;;337.35;1.12;;;;CHEMBL126;MDCK;EMDCK;25;0;"from A to B, <a href=https://www.ebi.ac.uk/chembl/assay_report_card/CHEMBL1645815/  target=_blank>CHEMBL1645815</a>";;;;;;;;;-5.05;;;;;;;;;;;;"Guarino VR, Nti-Addae K, Stella VJ.: MDCK cell permeability characteristics of a sulfenamide prodrug: strategic implications in considering sulfenamide prodrugs for oral delivery of NH-acids. Bioorg Med Chem Lett, Volume 21 (1), 2011";ChEMBL
MM474932;MM474932;O=c1n(Cc2ccccn2)nc(-c2ccnc(NC3CCOCC3)c2)n1-c1ccc2ccccc2c1;OHUXKIXTONEVBL-UHFFFAOYSA-N;478.56;4.28;;;;;MDCK;EMDCK;25;0;"from A to B, <a href=https://www.ebi.ac.uk/chembl/assay_report_card/CHEMBL1648833/  target=_blank>CHEMBL1648833</a>";;;;;;;;;-4.73;;;;;;;;;;;;"Probst GD, Bowers S, Sealy JM, Truong AP, Hom RK, Galemmo RA, Konradi AW, Sham HL, Quincy DA, Pan H, Yao N, Lin M, Tóth G, Artis DR, Zmolek W, Wong K, Qin A, Lorentzen C, Nakamura DF, Quinn KP, Sauer JM, Powell K, Ruslim L, Wright S, Chereau D, Ren Z, Anderson JP, Bard F, Yednock TA, Griswold-Prenner I.: Highly selective c-Jun N-terminal kinase (JNK) 2 and 3 inhibitors with in vitro CNS-like pharmacokinetic properties prevent neurodegeneration. Bioorg Med Chem Lett, Volume 21 (1), 2011";ChEMBL
MM474933;MM474933;O=c1[nH]nc(-c2ccnc(NC3CCCCC3)c2)n1-c1ccc2ccccc2c1;IJTANTDZFOCBKK-UHFFFAOYSA-N;385.47;4.52;;;;;MDCK;EMDCK;25;0;"from A to B, <a href=https://www.ebi.ac.uk/chembl/assay_report_card/CHEMBL1648833/  target=_blank>CHEMBL1648833</a>";;;;;;;;;-6.05;;;;;;;;;;;;"Probst GD, Bowers S, Sealy JM, Truong AP, Hom RK, Galemmo RA, Konradi AW, Sham HL, Quincy DA, Pan H, Yao N, Lin M, Tóth G, Artis DR, Zmolek W, Wong K, Qin A, Lorentzen C, Nakamura DF, Quinn KP, Sauer JM, Powell K, Ruslim L, Wright S, Chereau D, Ren Z, Anderson JP, Bard F, Yednock TA, Griswold-Prenner I.: Highly selective c-Jun N-terminal kinase (JNK) 2 and 3 inhibitors with in vitro CNS-like pharmacokinetic properties prevent neurodegeneration. Bioorg Med Chem Lett, Volume 21 (1), 2011";ChEMBL
MM474934;MM474934;O=c1[nH]nc(-c2ccnc(NC3CCOCC3)c2)n1-c1ccc2ccccc2c1;LCBNUBGZQBBNPG-UHFFFAOYSA-N;387.44;3.37;;;;;MDCK;EMDCK;25;0;"from A to B, <a href=https://www.ebi.ac.uk/chembl/assay_report_card/CHEMBL1648833/  target=_blank>CHEMBL1648833</a>";;;;;;;;;-4.8;;;;;;;;;;;;"Probst GD, Bowers S, Sealy JM, Truong AP, Hom RK, Galemmo RA, Konradi AW, Sham HL, Quincy DA, Pan H, Yao N, Lin M, Tóth G, Artis DR, Zmolek W, Wong K, Qin A, Lorentzen C, Nakamura DF, Quinn KP, Sauer JM, Powell K, Ruslim L, Wright S, Chereau D, Ren Z, Anderson JP, Bard F, Yednock TA, Griswold-Prenner I.: Highly selective c-Jun N-terminal kinase (JNK) 2 and 3 inhibitors with in vitro CNS-like pharmacokinetic properties prevent neurodegeneration. Bioorg Med Chem Lett, Volume 21 (1), 2011";ChEMBL
MM474935;MM474935;O=c1[nH]nc(-c2ccnc(NC3CCOCC3)c2)n1-c1ccc2cc(F)ccc2c1;PXOJJCCSYAVCPK-UHFFFAOYSA-N;405.43;3.51;;;;;MDCK;EMDCK;25;0;"from A to B, <a href=https://www.ebi.ac.uk/chembl/assay_report_card/CHEMBL1648833/  target=_blank>CHEMBL1648833</a>";;;;;;;;;-5.14;;;;;;;;;;;;"Probst GD, Bowers S, Sealy JM, Truong AP, Hom RK, Galemmo RA, Konradi AW, Sham HL, Quincy DA, Pan H, Yao N, Lin M, Tóth G, Artis DR, Zmolek W, Wong K, Qin A, Lorentzen C, Nakamura DF, Quinn KP, Sauer JM, Powell K, Ruslim L, Wright S, Chereau D, Ren Z, Anderson JP, Bard F, Yednock TA, Griswold-Prenner I.: Highly selective c-Jun N-terminal kinase (JNK) 2 and 3 inhibitors with in vitro CNS-like pharmacokinetic properties prevent neurodegeneration. Bioorg Med Chem Lett, Volume 21 (1), 2011";ChEMBL
MM474936;MM474936;O=c1n(C2CCOC2)nc(-c2ccnc(NC3CCOCC3)c2)n1-c1ccc2ccccc2c1;JPTYCOMKVYISJL-UHFFFAOYSA-N;457.53;3.8;;;;;MDCK;EMDCK;25;0;"from A to B, <a href=https://www.ebi.ac.uk/chembl/assay_report_card/CHEMBL1648833/  target=_blank>CHEMBL1648833</a>";;;;;;;;;-4.66;;;;;;;;;;;;"Probst GD, Bowers S, Sealy JM, Truong AP, Hom RK, Galemmo RA, Konradi AW, Sham HL, Quincy DA, Pan H, Yao N, Lin M, Tóth G, Artis DR, Zmolek W, Wong K, Qin A, Lorentzen C, Nakamura DF, Quinn KP, Sauer JM, Powell K, Ruslim L, Wright S, Chereau D, Ren Z, Anderson JP, Bard F, Yednock TA, Griswold-Prenner I.: Highly selective c-Jun N-terminal kinase (JNK) 2 and 3 inhibitors with in vitro CNS-like pharmacokinetic properties prevent neurodegeneration. Bioorg Med Chem Lett, Volume 21 (1), 2011";ChEMBL
MM474937;MM474937;O=c1n(-c2ccccn2)nc(-c2ccnc(NC3CCOCC3)c2)n1-c1ccc2ccccc2c1;YPAADIPEHKVUEJ-UHFFFAOYSA-N;464.53;4.22;;;;;MDCK;EMDCK;25;0;"from A to B, <a href=https://www.ebi.ac.uk/chembl/assay_report_card/CHEMBL1648833/  target=_blank>CHEMBL1648833</a>";;;;;;;;;-5.29;;;;;;;;;;;;"Probst GD, Bowers S, Sealy JM, Truong AP, Hom RK, Galemmo RA, Konradi AW, Sham HL, Quincy DA, Pan H, Yao N, Lin M, Tóth G, Artis DR, Zmolek W, Wong K, Qin A, Lorentzen C, Nakamura DF, Quinn KP, Sauer JM, Powell K, Ruslim L, Wright S, Chereau D, Ren Z, Anderson JP, Bard F, Yednock TA, Griswold-Prenner I.: Highly selective c-Jun N-terminal kinase (JNK) 2 and 3 inhibitors with in vitro CNS-like pharmacokinetic properties prevent neurodegeneration. Bioorg Med Chem Lett, Volume 21 (1), 2011";ChEMBL
MM474938;MM474938;O=c1n(Cc2ccncc2)nc(-c2ccnc(NC3CCCCC3)c2)n1-c1ccc2ccccc2c1;IOZQORJWOUBHKH-UHFFFAOYSA-N;476.58;5.44;;;;;MDCK;EMDCK;25;0;"from A to B, <a href=https://www.ebi.ac.uk/chembl/assay_report_card/CHEMBL1648833/  target=_blank>CHEMBL1648833</a>";;;;;;;;;-5.09;;;;;;;;;;;;"Probst GD, Bowers S, Sealy JM, Truong AP, Hom RK, Galemmo RA, Konradi AW, Sham HL, Quincy DA, Pan H, Yao N, Lin M, Tóth G, Artis DR, Zmolek W, Wong K, Qin A, Lorentzen C, Nakamura DF, Quinn KP, Sauer JM, Powell K, Ruslim L, Wright S, Chereau D, Ren Z, Anderson JP, Bard F, Yednock TA, Griswold-Prenner I.: Highly selective c-Jun N-terminal kinase (JNK) 2 and 3 inhibitors with in vitro CNS-like pharmacokinetic properties prevent neurodegeneration. Bioorg Med Chem Lett, Volume 21 (1), 2011";ChEMBL
MM474939;MM474939;O=C(Nc1cccnn1)N1CCC(=Cc2cccc(Oc3ccc(C(F)(F)F)cn3)c2)CC1;;455.44;5.39;24771824;;;CHEMBL1651534;MDCK;EMDCK;25;0;"from A to B, <a href=https://www.ebi.ac.uk/chembl/assay_report_card/CHEMBL1656907/  target=_blank>CHEMBL1656907</a>";;;;;;;;;-4.82;;;;;;;;;;;;"Johnson DS, Stiff C, Lazerwith SE, Kesten SR, Fay LK, Morris M, Beidler D, Liimatta MB, Smith SE, Dudley DT, Sadagopan N, Bhattachar SN, Kesten SJ, Nomanbhoy TK, Cravatt BF, Ahn K.: Discovery of PF-04457845: A Highly Potent, Orally Bioavailable, and Selective Urea FAAH Inhibitor. ACS Med Chem Lett, Volume 2 (2), 2011";ChEMBL
MM474948;MM474948;CC(CC(=O)N1CC2CC1CN2C(=O)C1(C(C)C)CCC(NC2CCOCC2F)C1)C(F)(F)F;DWWWMCPBDXIVTJ-FSPVYIBDSA-N;491.57;3.3;53324943;;;CHEMBL1684707;MDCK;EMDCK;25;0;"from A to B, <a href=https://www.ebi.ac.uk/chembl/assay_report_card/CHEMBL1686108/  target=_blank>CHEMBL1686108</a>";;;;;;;;;-4.93;;;;;;;;;;;;"Trujillo JI, Huang W, Hughes RO, Rogier DJ, Turner SR, Devraj R, Morton PA, Xue CB, Chao G, Covington MB, Newton RC, Metcalf B.: Design and synthesis of novel CCR2 antagonists: investigation of non-aryl/heteroaryl binding motifs. Bioorg Med Chem Lett, Volume 21 (6), 2011";ChEMBL
MM474949;MM474949;CC(C)C1(C(=O)N2CC3CC2CN3C(=O)CCC(F)(F)F)CCC(NC2CCOCC2F)C1;VOTFTZKGSDZWFG-OBILSORKSA-N;477.54;3.05;53326645;;;CHEMBL1684708;MDCK;EMDCK;25;0;"from A to B, <a href=https://www.ebi.ac.uk/chembl/assay_report_card/CHEMBL1686108/  target=_blank>CHEMBL1686108</a>";;;;;;;;;-5.08;;;;;;;;;;;;"Trujillo JI, Huang W, Hughes RO, Rogier DJ, Turner SR, Devraj R, Morton PA, Xue CB, Chao G, Covington MB, Newton RC, Metcalf B.: Design and synthesis of novel CCR2 antagonists: investigation of non-aryl/heteroaryl binding motifs. Bioorg Med Chem Lett, Volume 21 (6), 2011";ChEMBL
MM475046;MM475046;O=C(NC1CN2CCC1CC2)c1cc2ccoc2cn1;IPKZCLGGYKRDES-ZDUSSCGKSA-N;271.32;1.65;9930121;;;CHEMBL214268;MDCK;EMDCK;25;0;"from A to B, <a href=https://www.ebi.ac.uk/chembl/assay_report_card/CHEMBL932562/  target=_blank>CHEMBL932562</a>";;;;;;;;;-4.47;;;;;;;;;;;;"Acker BA, Jacobsen EJ, Rogers BN, Wishka DG, Reitz SC, Piotrowski DW, Myers JK, Wolfe ML, Groppi VE, Thornburgh BA, Tinholt PM, Walters RR, Olson BA, Fitzgerald L, Staton BA, Raub TJ, Krause M, Li KS, Hoffmann WE, Hajos M, Hurst RS, Walker DP.: Discovery of N-[(3R,5R)-1-azabicyclo[3.2.1]oct-3-yl]furo[2,3-c]pyridine-5-carboxamide as an agonist of the alpha7 nicotinic acetylcholine receptor: in vitro and in vivo activity. Bioorg Med Chem Lett, Volume 18 (12), 2008";ChEMBL
MM475047;MM475047;O=C(NC1CC2CCN(C2)C1)c1ccc2occc2c1;CGFMUJGGEUGESY-BXUZGUMPSA-N;270.33;2.26;10236295;;;CHEMBL258031;MDCK;EMDCK;25;0;"from A to B, <a href=https://www.ebi.ac.uk/chembl/assay_report_card/CHEMBL932562/  target=_blank>CHEMBL932562</a>";;;;;;;;;-5.42;;;;;;;;;;;;"Acker BA, Jacobsen EJ, Rogers BN, Wishka DG, Reitz SC, Piotrowski DW, Myers JK, Wolfe ML, Groppi VE, Thornburgh BA, Tinholt PM, Walters RR, Olson BA, Fitzgerald L, Staton BA, Raub TJ, Krause M, Li KS, Hoffmann WE, Hajos M, Hurst RS, Walker DP.: Discovery of N-[(3R,5R)-1-azabicyclo[3.2.1]oct-3-yl]furo[2,3-c]pyridine-5-carboxamide as an agonist of the alpha7 nicotinic acetylcholine receptor: in vitro and in vivo activity. Bioorg Med Chem Lett, Volume 18 (12), 2008";ChEMBL
MM475048;MM475048;O=C(NC1CC2CCN(C2)C1)c1ccc2ncsc2c1;BBHOTKRCKZTVKM-ZYHUDNBSSA-N;287.39;2.12;20754424;;;CHEMBL258239;MDCK;EMDCK;25;0;"from A to B, <a href=https://www.ebi.ac.uk/chembl/assay_report_card/CHEMBL932562/  target=_blank>CHEMBL932562</a>";;;;;;;;;-6.7;;;;;;;;;;;;"Acker BA, Jacobsen EJ, Rogers BN, Wishka DG, Reitz SC, Piotrowski DW, Myers JK, Wolfe ML, Groppi VE, Thornburgh BA, Tinholt PM, Walters RR, Olson BA, Fitzgerald L, Staton BA, Raub TJ, Krause M, Li KS, Hoffmann WE, Hajos M, Hurst RS, Walker DP.: Discovery of N-[(3R,5R)-1-azabicyclo[3.2.1]oct-3-yl]furo[2,3-c]pyridine-5-carboxamide as an agonist of the alpha7 nicotinic acetylcholine receptor: in vitro and in vivo activity. Bioorg Med Chem Lett, Volume 18 (12), 2008";ChEMBL
MM475053;MM475053;CN1CCN(CCOc2n[nH]c3ncnc(Nc4ccc(OCc5ccccn5)c(Cl)c4)c23)CC1;BZUIGXZUUGQBLL-UHFFFAOYSA-N;494.99;3.35;11634645;;;CHEMBL258282;MDCK;EMDCK;25;0;"from A to B, <a href=https://www.ebi.ac.uk/chembl/assay_report_card/CHEMBL947910/  target=_blank>CHEMBL947910</a>";;;;;;;;;-5.02;;;;;;;;;;;;"Ducray R, Ballard P, Barlaam BC, Hickinson MD, Kettle JG, Ogilvie DJ, Trigwell CB.: Novel 3-alkoxy-1H-pyrazolo[3,4-d]pyrimidines as EGFR and erbB2 receptor tyrosine kinase inhibitors. Bioorg Med Chem Lett, Volume 18 (3), 2008";ChEMBL
MM475045;MM475045;COc1cc(Cl)ccc1O[C@@H](c1ccccc1)[C@@H]1CNCCO1;;333.82;3.46;;;;CHEMBL260259;MDCK;EMDCK;25;0;"from A to B, <a href=https://www.ebi.ac.uk/chembl/assay_report_card/CHEMBL932531/  target=_blank>CHEMBL932531</a>";;;;;;;;;-4.66;;;;;;;;;;;;"Fish PV, Deur C, Gan X, Greene K, Hoople D, Mackenny M, Para KS, Reeves K, Ryckmans T, Stiff C, Stobie A, Wakenhut F, Whitlock GA.: Design and synthesis of morpholine derivatives. SAR for dual serotonin & noradrenaline reuptake inhibition. Bioorg Med Chem Lett, Volume 18 (8), 2008";ChEMBL
MM475050;MM475050;Cc1cc(Oc2ccccc2Oc2ccccc2)c(CN(C)C)cn1;;334.42;5.04;44452935;;;CHEMBL270791;MDCK;EMDCK;25;0;"from A to B, <a href=https://www.ebi.ac.uk/chembl/assay_report_card/CHEMBL933946/  target=_blank>CHEMBL933946</a>";;;;;;;;;-4.39;;;;;;;;;;;;"Fish PV, Ryckmans T, Stobie A, Wakenhut F.: [4-(Phenoxy)pyridin-3-yl]methylamines: a new class of selective noradrenaline reuptake inhibitors. Bioorg Med Chem Lett, Volume 18 (6), 2008";ChEMBL
MM475051;MM475051;CNCc1cnc(C)cc1Oc1ccccc1Oc1ccccc1;;320.39;4.69;25022704;;;CHEMBL273208;MDCK;EMDCK;25;0;"from A to B, <a href=https://www.ebi.ac.uk/chembl/assay_report_card/CHEMBL933946/  target=_blank>CHEMBL933946</a>";;;;;;;;;-4.6;;;;;;;;;;;;"Fish PV, Ryckmans T, Stobie A, Wakenhut F.: [4-(Phenoxy)pyridin-3-yl]methylamines: a new class of selective noradrenaline reuptake inhibitors. Bioorg Med Chem Lett, Volume 18 (6), 2008";ChEMBL
MM474768;MM474768;CC(C)(C)c1cnc(CSc2cnc(NC(=O)C3CCNCC3)s2)o1;;380.54;3.66;;;;CHEMBL296468;MDCK;EMDCK;25;0;"from A to B, <a href=https://www.ebi.ac.uk/chembl/assay_report_card/CHEMBL1002046/  target=_blank>CHEMBL1002046</a>";;;;;;;;;-7.78;;;;;;;;;;;;"Choong IC, Serafimova I, Fan J, Stockett D, Chan E, Cheeti S, Lu Y, Fahr B, Pham P, Arkin MR, Walker DH, Hoch U.: A diaminocyclohexyl analog of SNS-032 with improved permeability and bioavailability properties. Bioorg Med Chem Lett, Volume 18 (21), 2008";ChEMBL
MM474768;MM474768;CC(C)(C)c1cnc(CSc2cnc(NC(=O)C3CCNCC3)s2)o1;;380.54;3.66;;;;CHEMBL296468;MDCK;EMDCK;25;0;"from A to B, <a href=https://www.ebi.ac.uk/chembl/assay_report_card/CHEMBL965587/  target=_blank>CHEMBL965587</a>";;;;;;;;;-7.78;;;;;;;;;;;;"Fan J, Fahr B, Stockett D, Chan E, Cheeti S, Serafimova I, Lu Y, Pham P, Walker DH, Hoch U, Choong IC.: Modifications of the isonipecotic acid fragment of SNS-032: analogs with improved permeability and lower efflux ratio. Bioorg Med Chem Lett, Volume 18 (23), 2008";ChEMBL
MM475075;MM475075;CC(C)(C)c1cnc(CSc2cnc(NC(=O)C3CCCNC3)s2)o1;USAKOZCUIYTREA-UHFFFAOYSA-N;380.54;3.66;;;;;MDCK;EMDCK;25;0;"from A to B, <a href=https://www.ebi.ac.uk/chembl/assay_report_card/CHEMBL965587/  target=_blank>CHEMBL965587</a>";;;;;;;;;-6.9;;;;;;;;;;;;"Fan J, Fahr B, Stockett D, Chan E, Cheeti S, Serafimova I, Lu Y, Pham P, Walker DH, Hoch U, Choong IC.: Modifications of the isonipecotic acid fragment of SNS-032: analogs with improved permeability and lower efflux ratio. Bioorg Med Chem Lett, Volume 18 (23), 2008";ChEMBL
MM475052;MM475052;Cc1cc(Oc2ccccc2C(C)C)c(CN(C)C)cn1;;284.4;4.37;44452994;;;CHEMBL403363;MDCK;EMDCK;25;0;"from A to B, <a href=https://www.ebi.ac.uk/chembl/assay_report_card/CHEMBL933946/  target=_blank>CHEMBL933946</a>";;;;;;;;;-4.42;;;;;;;;;;;;"Fish PV, Ryckmans T, Stobie A, Wakenhut F.: [4-(Phenoxy)pyridin-3-yl]methylamines: a new class of selective noradrenaline reuptake inhibitors. Bioorg Med Chem Lett, Volume 18 (6), 2008";ChEMBL
MM475049;MM475049;O=C(NC1CC2CCN(C2)C1)c1cc2ccoc2cn1;PTGWFYYEAUFEAS-ZYHUDNBSSA-N;271.32;1.65;10107234;;;CHEMBL403858;MDCK;EMDCK;25;0;"from A to B, <a href=https://www.ebi.ac.uk/chembl/assay_report_card/CHEMBL932562/  target=_blank>CHEMBL932562</a>";;;;;;;;;-4.68;;;;;;;;;;;;"Acker BA, Jacobsen EJ, Rogers BN, Wishka DG, Reitz SC, Piotrowski DW, Myers JK, Wolfe ML, Groppi VE, Thornburgh BA, Tinholt PM, Walters RR, Olson BA, Fitzgerald L, Staton BA, Raub TJ, Krause M, Li KS, Hoffmann WE, Hajos M, Hurst RS, Walker DP.: Discovery of N-[(3R,5R)-1-azabicyclo[3.2.1]oct-3-yl]furo[2,3-c]pyridine-5-carboxamide as an agonist of the alpha7 nicotinic acetylcholine receptor: in vitro and in vivo activity. Bioorg Med Chem Lett, Volume 18 (12), 2008";ChEMBL
MM475020;MM475020;Cc1ccccc1NC(=O)Nc1ccc(CC(=O)N2CC(F)CC2COc2ccc(C(=O)O)cc2)cc1Cl;;539.99;5.55;15984101;;;CHEMBL425647;MDCK;EMDCK;25;0;"from A to B, <a href=https://www.ebi.ac.uk/chembl/assay_report_card/CHEMBL987229/  target=_blank>CHEMBL987229</a>";;;;;;;;;-5.57;;;;;;;;;;;;"Muro F, Iimura S, Yoneda Y, Chiba J, Watanabe T, Setoguchi M, Iigou Y, Takayama G, Yokoyama M, Takashi T, Nakayama A, Machinaga N.: Identification of 4-[1-[3-chloro-4-[N'-(5-fluoro-2-methylphenyl)ureido]phenylacetyl]-(4S)-fluoro-(2S)-pyrrolidinylmethoxy]benzoic acid as a potent, orally active VLA-4 antagonist. Bioorg Med Chem, Volume 16 (23), 2008";ChEMBL
MM475076;MM475076;C[C@H]1CNC[C@H](C(=O)Nc2ncc(SCc3ncc(C(C)(C)C)o3)s2)C1;SSMMYRQDZBSVCY-VXGBXAGGSA-N;394.57;3.91;;;;;MDCK;EMDCK;25;0;"from A to B, <a href=https://www.ebi.ac.uk/chembl/assay_report_card/CHEMBL965587/  target=_blank>CHEMBL965587</a>";;;;;;;;;-6.36;;;;;;;;;;;;"Fan J, Fahr B, Stockett D, Chan E, Cheeti S, Serafimova I, Lu Y, Pham P, Walker DH, Hoch U, Choong IC.: Modifications of the isonipecotic acid fragment of SNS-032: analogs with improved permeability and lower efflux ratio. Bioorg Med Chem Lett, Volume 18 (23), 2008";ChEMBL
MM475077;MM475077;C[C@@H]1CNC[C@H](C(=O)Nc2ncc(SCc3ncc(C(C)(C)C)o3)s2)C1;SSMMYRQDZBSVCY-NWDGAFQWSA-N;394.57;3.91;;;;;MDCK;EMDCK;25;0;"from A to B, <a href=https://www.ebi.ac.uk/chembl/assay_report_card/CHEMBL965587/  target=_blank>CHEMBL965587</a>";;;;;;;;;-7.1;;;;;;;;;;;;"Fan J, Fahr B, Stockett D, Chan E, Cheeti S, Serafimova I, Lu Y, Pham P, Walker DH, Hoch U, Choong IC.: Modifications of the isonipecotic acid fragment of SNS-032: analogs with improved permeability and lower efflux ratio. Bioorg Med Chem Lett, Volume 18 (23), 2008";ChEMBL
MM475078;MM475078;CC1CCC(C(=O)Nc2ncc(SCc3ncc(C(C)(C)C)o3)s2)CN1;QALGDBRHRSNPSF-UHFFFAOYSA-N;394.57;4.05;;;;;MDCK;EMDCK;25;0;"from A to B, <a href=https://www.ebi.ac.uk/chembl/assay_report_card/CHEMBL965587/  target=_blank>CHEMBL965587</a>";;;;;;;;;-6.4;;;;;;;;;;;;"Fan J, Fahr B, Stockett D, Chan E, Cheeti S, Serafimova I, Lu Y, Pham P, Walker DH, Hoch U, Choong IC.: Modifications of the isonipecotic acid fragment of SNS-032: analogs with improved permeability and lower efflux ratio. Bioorg Med Chem Lett, Volume 18 (23), 2008";ChEMBL
MM475079;MM475079;CC1CNCC(C(=O)Nc2ncc(SCc3ncc(C(C)(C)C)o3)s2)C1;SSMMYRQDZBSVCY-UHFFFAOYSA-N;394.57;3.91;;;;;MDCK;EMDCK;25;0;"from A to B, <a href=https://www.ebi.ac.uk/chembl/assay_report_card/CHEMBL965587/  target=_blank>CHEMBL965587</a>";;;;;;;;;-6.63;;;;;;;;;;;;"Fan J, Fahr B, Stockett D, Chan E, Cheeti S, Serafimova I, Lu Y, Pham P, Walker DH, Hoch U, Choong IC.: Modifications of the isonipecotic acid fragment of SNS-032: analogs with improved permeability and lower efflux ratio. Bioorg Med Chem Lett, Volume 18 (23), 2008";ChEMBL
MM475080;MM475080;CC1CC(C(=O)Nc2ncc(SCc3ncc(C(C)(C)C)o3)s2)CCN1;WDVFSNIVMZTNHY-UHFFFAOYSA-N;394.57;4.05;;;;;MDCK;EMDCK;25;0;"from A to B, <a href=https://www.ebi.ac.uk/chembl/assay_report_card/CHEMBL965587/  target=_blank>CHEMBL965587</a>";;;;;;;;;-7.66;;;;;;;;;;;;"Fan J, Fahr B, Stockett D, Chan E, Cheeti S, Serafimova I, Lu Y, Pham P, Walker DH, Hoch U, Choong IC.: Modifications of the isonipecotic acid fragment of SNS-032: analogs with improved permeability and lower efflux ratio. Bioorg Med Chem Lett, Volume 18 (23), 2008";ChEMBL
MM475081;MM475081;CCC1CC(C(=O)Nc2ncc(SCc3ncc(C(C)(C)C)o3)s2)CCN1;WBUZWMNIWAQICA-UHFFFAOYSA-N;408.59;4.44;;;;;MDCK;EMDCK;25;0;"from A to B, <a href=https://www.ebi.ac.uk/chembl/assay_report_card/CHEMBL965587/  target=_blank>CHEMBL965587</a>";;;;;;;;;-7.12;;;;;;;;;;;;"Fan J, Fahr B, Stockett D, Chan E, Cheeti S, Serafimova I, Lu Y, Pham P, Walker DH, Hoch U, Choong IC.: Modifications of the isonipecotic acid fragment of SNS-032: analogs with improved permeability and lower efflux ratio. Bioorg Med Chem Lett, Volume 18 (23), 2008";ChEMBL
MM475082;MM475082;C[C@H]1CNC[C@@H](C(=O)Nc2ncc(SCc3ncc(C(C)(C)C)o3)s2)C1;SSMMYRQDZBSVCY-NEPJUHHUSA-N;394.57;3.91;;;;;MDCK;EMDCK;25;0;"from A to B, <a href=https://www.ebi.ac.uk/chembl/assay_report_card/CHEMBL965587/  target=_blank>CHEMBL965587</a>";;;;;;;;;-6.78;;;;;;;;;;;;"Fan J, Fahr B, Stockett D, Chan E, Cheeti S, Serafimova I, Lu Y, Pham P, Walker DH, Hoch U, Choong IC.: Modifications of the isonipecotic acid fragment of SNS-032: analogs with improved permeability and lower efflux ratio. Bioorg Med Chem Lett, Volume 18 (23), 2008";ChEMBL
MM475104;MM475104;O=C(Nc1ccccc1Cl)Nc1cc(F)c(CC(=O)N2CC(F)CC2COc2ccc(C(=O)O)cc2)cc1Cl;BBJDKAQNUQEOHQ-ROUUACIJSA-N;578.4;6.04;44588445;;;CHEMBL456180;MDCK;EMDCK;25;0;"from A to B, <a href=https://www.ebi.ac.uk/chembl/assay_report_card/CHEMBL987229/  target=_blank>CHEMBL987229</a>";;;;;;;;;-5.24;;;;;;;;;;;;"Muro F, Iimura S, Yoneda Y, Chiba J, Watanabe T, Setoguchi M, Iigou Y, Takayama G, Yokoyama M, Takashi T, Nakayama A, Machinaga N.: Identification of 4-[1-[3-chloro-4-[N'-(5-fluoro-2-methylphenyl)ureido]phenylacetyl]-(4S)-fluoro-(2S)-pyrrolidinylmethoxy]benzoic acid as a potent, orally active VLA-4 antagonist. Bioorg Med Chem, Volume 16 (23), 2008";ChEMBL
MM475105;MM475105;Cc1cc(NC(=O)Nc2ccccc2Br)c(Cl)cc1CC(=O)N1CC(F)CC1COc1ccc(C(=O)O)cc1;RWXLEGJTWXHYFT-PMACEKPBSA-N;618.89;6.31;44587964;;;CHEMBL456348;MDCK;EMDCK;25;0;"from A to B, <a href=https://www.ebi.ac.uk/chembl/assay_report_card/CHEMBL987229/  target=_blank>CHEMBL987229</a>";;;;;;;;;-5.33;;;;;;;;;;;;"Muro F, Iimura S, Yoneda Y, Chiba J, Watanabe T, Setoguchi M, Iigou Y, Takayama G, Yokoyama M, Takashi T, Nakayama A, Machinaga N.: Identification of 4-[1-[3-chloro-4-[N'-(5-fluoro-2-methylphenyl)ureido]phenylacetyl]-(4S)-fluoro-(2S)-pyrrolidinylmethoxy]benzoic acid as a potent, orally active VLA-4 antagonist. Bioorg Med Chem, Volume 16 (23), 2008";ChEMBL
MM475106;MM475106;O=C(Nc1ccccc1Cl)Nc1cc(Cl)c(CC(=O)N2CC(F)CC2COc2ccc(C(=O)O)cc2)cc1Cl;HYXDOLUWKMWHER-ROUUACIJSA-N;594.85;6.55;44588524;;;CHEMBL456399;MDCK;EMDCK;25;0;"from A to B, <a href=https://www.ebi.ac.uk/chembl/assay_report_card/CHEMBL987229/  target=_blank>CHEMBL987229</a>";;;;;;;;;-5.05;;;;;;;;;;;;"Muro F, Iimura S, Yoneda Y, Chiba J, Watanabe T, Setoguchi M, Iigou Y, Takayama G, Yokoyama M, Takashi T, Nakayama A, Machinaga N.: Identification of 4-[1-[3-chloro-4-[N'-(5-fluoro-2-methylphenyl)ureido]phenylacetyl]-(4S)-fluoro-(2S)-pyrrolidinylmethoxy]benzoic acid as a potent, orally active VLA-4 antagonist. Bioorg Med Chem, Volume 16 (23), 2008";ChEMBL
MM475107;MM475107;Cc1cc(NC(=O)Nc2ccccc2Cl)c(Cl)cc1CC(=O)N1CC(F)CC1COc1ccc(C(=O)O)cc1;IIABHYNBTSJROG-PMACEKPBSA-N;574.44;6.2;44588525;;;CHEMBL456608;MDCK;EMDCK;25;0;"from A to B, <a href=https://www.ebi.ac.uk/chembl/assay_report_card/CHEMBL987229/  target=_blank>CHEMBL987229</a>";;;;;;;;;-5.46;;;;;;;;;;;;"Muro F, Iimura S, Yoneda Y, Chiba J, Watanabe T, Setoguchi M, Iigou Y, Takayama G, Yokoyama M, Takashi T, Nakayama A, Machinaga N.: Identification of 4-[1-[3-chloro-4-[N'-(5-fluoro-2-methylphenyl)ureido]phenylacetyl]-(4S)-fluoro-(2S)-pyrrolidinylmethoxy]benzoic acid as a potent, orally active VLA-4 antagonist. Bioorg Med Chem, Volume 16 (23), 2008";ChEMBL
MM475108;MM475108;Cc1ccccc1NC(=O)Nc1cc(Cl)c(CC(=O)N2CC(F)CC2COc2ccc(C(=O)O)cc2)cc1Cl;ICYQFAXGIFGNST-PMACEKPBSA-N;574.44;6.2;44588480;;;CHEMBL456814;MDCK;EMDCK;25;0;"from A to B, <a href=https://www.ebi.ac.uk/chembl/assay_report_card/CHEMBL987229/  target=_blank>CHEMBL987229</a>";;;;;;;;;-5.27;;;;;;;;;;;;"Muro F, Iimura S, Yoneda Y, Chiba J, Watanabe T, Setoguchi M, Iigou Y, Takayama G, Yokoyama M, Takashi T, Nakayama A, Machinaga N.: Identification of 4-[1-[3-chloro-4-[N'-(5-fluoro-2-methylphenyl)ureido]phenylacetyl]-(4S)-fluoro-(2S)-pyrrolidinylmethoxy]benzoic acid as a potent, orally active VLA-4 antagonist. Bioorg Med Chem, Volume 16 (23), 2008";ChEMBL
MM475109;MM475109;Cc1ccccc1NC(=O)Nc1cc(F)c(CC(=O)N2CC(F)CC2COc2ccc(C(=O)O)cc2)cc1Cl;YNJNDBAQPYNBTR-PMACEKPBSA-N;557.98;5.69;44588481;;;CHEMBL456815;MDCK;EMDCK;25;0;"from A to B, <a href=https://www.ebi.ac.uk/chembl/assay_report_card/CHEMBL987229/  target=_blank>CHEMBL987229</a>";;;;;;;;;-5.55;;;;;;;;;;;;"Muro F, Iimura S, Yoneda Y, Chiba J, Watanabe T, Setoguchi M, Iigou Y, Takayama G, Yokoyama M, Takashi T, Nakayama A, Machinaga N.: Identification of 4-[1-[3-chloro-4-[N'-(5-fluoro-2-methylphenyl)ureido]phenylacetyl]-(4S)-fluoro-(2S)-pyrrolidinylmethoxy]benzoic acid as a potent, orally active VLA-4 antagonist. Bioorg Med Chem, Volume 16 (23), 2008";ChEMBL
MM475110;MM475110;Cc1ccc(F)cc1NC(=O)Nc1ccc(CC(=O)N2CC(F)CC2COc2ccc(C(=O)O)cc2)cc1Cl;WRDAJCAOSGLLQW-SFTDATJTSA-N;557.98;5.69;25147778;;;CHEMBL457223;MDCK;EMDCK;25;0;"from A to B, <a href=https://www.ebi.ac.uk/chembl/assay_report_card/CHEMBL987229/  target=_blank>CHEMBL987229</a>";;;;;;;;;-5.59;;;;;;;;;;;;"Muro F, Iimura S, Yoneda Y, Chiba J, Watanabe T, Setoguchi M, Iigou Y, Takayama G, Yokoyama M, Takashi T, Nakayama A, Machinaga N.: Identification of 4-[1-[3-chloro-4-[N'-(5-fluoro-2-methylphenyl)ureido]phenylacetyl]-(4S)-fluoro-(2S)-pyrrolidinylmethoxy]benzoic acid as a potent, orally active VLA-4 antagonist. Bioorg Med Chem, Volume 16 (23), 2008";ChEMBL
MM475111;MM475111;Cc1c(F)cccc1NC(=O)Nc1ccc(CC(=O)N2CC(F)CC2COc2ccc(C(=O)O)cc2)cc1Cl;TVEYZMJRXVGMPY-PMACEKPBSA-N;557.98;5.69;44587965;;;CHEMBL458484;MDCK;EMDCK;25;0;"from A to B, <a href=https://www.ebi.ac.uk/chembl/assay_report_card/CHEMBL987229/  target=_blank>CHEMBL987229</a>";;;;;;;;;-5.62;;;;;;;;;;;;"Muro F, Iimura S, Yoneda Y, Chiba J, Watanabe T, Setoguchi M, Iigou Y, Takayama G, Yokoyama M, Takashi T, Nakayama A, Machinaga N.: Identification of 4-[1-[3-chloro-4-[N'-(5-fluoro-2-methylphenyl)ureido]phenylacetyl]-(4S)-fluoro-(2S)-pyrrolidinylmethoxy]benzoic acid as a potent, orally active VLA-4 antagonist. Bioorg Med Chem, Volume 16 (23), 2008";ChEMBL
MM474775;MM474775;O=C(C1CC(N2CCN(c3ncccn3)CC2)CN1)N1CC(F)C(F)C1;;366.42;-0.15;44565582;;;CHEMBL472992;MDCK;EMDCK;25;0;"from A to B, <a href=https://www.ebi.ac.uk/chembl/assay_report_card/CHEMBL1022014/  target=_blank>CHEMBL1022014</a>";;;;;;;;;-4.81;;;;;;;;;;;;"Ammirati MJ, Andrews KM, Boyer DD, Brodeur AM, Danley DE, Doran SD, Hulin B, Liu S, McPherson RK, Orena SJ, Parker JC, Polivkova J, Qiu X, Soglia CB, Treadway JL, VanVolkenburg MA, Wilder DC, Piotrowski DW.: (3,3-Difluoro-pyrrolidin-1-yl)-[(2S,4S)-(4-(4-pyrimidin-2-yl-piperazin-1-yl)-pyrrolidin-2-yl]-methanone: a potent, selective, orally active dipeptidyl peptidase IV inhibitor. Bioorg Med Chem Lett, Volume 19 (7), 2009";ChEMBL
MM474776;MM474776;O=C(C1CC(N2CCN(c3ncccn3)CC2)CN1)N1CCC1;;316.41;-0.44;44565584;;;CHEMBL472993;MDCK;EMDCK;25;0;"from A to B, <a href=https://www.ebi.ac.uk/chembl/assay_report_card/CHEMBL1022014/  target=_blank>CHEMBL1022014</a>";;;;;;;;;-5.57;;;;;;;;;;;;"Ammirati MJ, Andrews KM, Boyer DD, Brodeur AM, Danley DE, Doran SD, Hulin B, Liu S, McPherson RK, Orena SJ, Parker JC, Polivkova J, Qiu X, Soglia CB, Treadway JL, VanVolkenburg MA, Wilder DC, Piotrowski DW.: (3,3-Difluoro-pyrrolidin-1-yl)-[(2S,4S)-(4-(4-pyrimidin-2-yl-piperazin-1-yl)-pyrrolidin-2-yl]-methanone: a potent, selective, orally active dipeptidyl peptidase IV inhibitor. Bioorg Med Chem Lett, Volume 19 (7), 2009";ChEMBL
MM474777;MM474777;O=C(C1CC(N2CCN(c3ncccn3)CC2)CN1)N1CC(F)C1;;334.4;-0.49;44565585;;;CHEMBL473188;MDCK;EMDCK;25;0;"from A to B, <a href=https://www.ebi.ac.uk/chembl/assay_report_card/CHEMBL1022014/  target=_blank>CHEMBL1022014</a>";;;;;;;;;-4.89;;;;;;;;;;;;"Ammirati MJ, Andrews KM, Boyer DD, Brodeur AM, Danley DE, Doran SD, Hulin B, Liu S, McPherson RK, Orena SJ, Parker JC, Polivkova J, Qiu X, Soglia CB, Treadway JL, VanVolkenburg MA, Wilder DC, Piotrowski DW.: (3,3-Difluoro-pyrrolidin-1-yl)-[(2S,4S)-(4-(4-pyrimidin-2-yl-piperazin-1-yl)-pyrrolidin-2-yl]-methanone: a potent, selective, orally active dipeptidyl peptidase IV inhibitor. Bioorg Med Chem Lett, Volume 19 (7), 2009";ChEMBL
MM474770;MM474770;CC1(C)Oc2ncnc(N)c2N=C1c1ccc(C23CCC(CC(=O)O)(CC2)CC3)cc1;;420.51;4.42;16202164;;;CHEMBL473384;MDCK;EMDCK;25;0;"from A to B, <a href=https://www.ebi.ac.uk/chembl/assay_report_card/CHEMBL1011625/  target=_blank>CHEMBL1011625</a>";;;;;;;;;-4.74;;;;;;;;;;;;"Birch AM, Birtles S, Buckett LK, Kemmitt PD, Smith GJ, Smith TJ, Turnbull AV, Wang SJ.: Discovery of a potent, selective, and orally efficacious pyrimidinooxazinyl bicyclooctaneacetic acid diacylglycerol acyltransferase-1 inhibitor. J Med Chem, Volume 52 (6), 2009";ChEMBL
MM474778;MM474778;O=C(C1CC(N2CCN(c3ncccn3)CC2)CN1)N1CCCC1;;330.44;-0.05;44565889;;;CHEMBL473418;MDCK;EMDCK;25;0;"from A to B, <a href=https://www.ebi.ac.uk/chembl/assay_report_card/CHEMBL1022014/  target=_blank>CHEMBL1022014</a>";;;;;;;;;-5.24;;;;;;;;;;;;"Ammirati MJ, Andrews KM, Boyer DD, Brodeur AM, Danley DE, Doran SD, Hulin B, Liu S, McPherson RK, Orena SJ, Parker JC, Polivkova J, Qiu X, Soglia CB, Treadway JL, VanVolkenburg MA, Wilder DC, Piotrowski DW.: (3,3-Difluoro-pyrrolidin-1-yl)-[(2S,4S)-(4-(4-pyrimidin-2-yl-piperazin-1-yl)-pyrrolidin-2-yl]-methanone: a potent, selective, orally active dipeptidyl peptidase IV inhibitor. Bioorg Med Chem Lett, Volume 19 (7), 2009";ChEMBL
MM474779;MM474779;O=C(C1CC(N2CCN(c3ncccn3)CC2)CN1)N1CCC(F)C1;;348.43;-0.1;44565890;;;CHEMBL473419;MDCK;EMDCK;25;0;"from A to B, <a href=https://www.ebi.ac.uk/chembl/assay_report_card/CHEMBL1022014/  target=_blank>CHEMBL1022014</a>";;;;;;;;;-4.94;;;;;;;;;;;;"Ammirati MJ, Andrews KM, Boyer DD, Brodeur AM, Danley DE, Doran SD, Hulin B, Liu S, McPherson RK, Orena SJ, Parker JC, Polivkova J, Qiu X, Soglia CB, Treadway JL, VanVolkenburg MA, Wilder DC, Piotrowski DW.: (3,3-Difluoro-pyrrolidin-1-yl)-[(2S,4S)-(4-(4-pyrimidin-2-yl-piperazin-1-yl)-pyrrolidin-2-yl]-methanone: a potent, selective, orally active dipeptidyl peptidase IV inhibitor. Bioorg Med Chem Lett, Volume 19 (7), 2009";ChEMBL
MM474780;MM474780;O=C(C1CC(N2CCN(c3cnccn3)CC2)CN1)N1CCC(F)(F)C1;;366.42;0.2;44565870;;;CHEMBL474409;MDCK;EMDCK;25;0;"from A to B, <a href=https://www.ebi.ac.uk/chembl/assay_report_card/CHEMBL1022014/  target=_blank>CHEMBL1022014</a>";;;;;;;;;-5.03;;;;;;;;;;;;"Ammirati MJ, Andrews KM, Boyer DD, Brodeur AM, Danley DE, Doran SD, Hulin B, Liu S, McPherson RK, Orena SJ, Parker JC, Polivkova J, Qiu X, Soglia CB, Treadway JL, VanVolkenburg MA, Wilder DC, Piotrowski DW.: (3,3-Difluoro-pyrrolidin-1-yl)-[(2S,4S)-(4-(4-pyrimidin-2-yl-piperazin-1-yl)-pyrrolidin-2-yl]-methanone: a potent, selective, orally active dipeptidyl peptidase IV inhibitor. Bioorg Med Chem Lett, Volume 19 (7), 2009";ChEMBL
MM474781;MM474781;O=C(C1CC(N2CCN(c3ccc(C(F)(F)F)cn3)CC2)CN1)N1CCC(F)(F)C1;;433.43;1.82;44565871;;;CHEMBL474410;MDCK;EMDCK;25;0;"from A to B, <a href=https://www.ebi.ac.uk/chembl/assay_report_card/CHEMBL1022014/  target=_blank>CHEMBL1022014</a>";;;;;;;;;-4.79;;;;;;;;;;;;"Ammirati MJ, Andrews KM, Boyer DD, Brodeur AM, Danley DE, Doran SD, Hulin B, Liu S, McPherson RK, Orena SJ, Parker JC, Polivkova J, Qiu X, Soglia CB, Treadway JL, VanVolkenburg MA, Wilder DC, Piotrowski DW.: (3,3-Difluoro-pyrrolidin-1-yl)-[(2S,4S)-(4-(4-pyrimidin-2-yl-piperazin-1-yl)-pyrrolidin-2-yl]-methanone: a potent, selective, orally active dipeptidyl peptidase IV inhibitor. Bioorg Med Chem Lett, Volume 19 (7), 2009";ChEMBL
MM474782;MM474782;O=C([C@@H]1C[C@H](N2CCN(c3ncccn3)CC2)CN1)N1C[C@@H](F)[C@@H](F)C1;;366.42;-0.15;;;;CHEMBL474421;MDCK;EMDCK;25;0;"from A to B, <a href=https://www.ebi.ac.uk/chembl/assay_report_card/CHEMBL1022014/  target=_blank>CHEMBL1022014</a>";;;;;;;;;-5.43;;;;;;;;;;;;"Ammirati MJ, Andrews KM, Boyer DD, Brodeur AM, Danley DE, Doran SD, Hulin B, Liu S, McPherson RK, Orena SJ, Parker JC, Polivkova J, Qiu X, Soglia CB, Treadway JL, VanVolkenburg MA, Wilder DC, Piotrowski DW.: (3,3-Difluoro-pyrrolidin-1-yl)-[(2S,4S)-(4-(4-pyrimidin-2-yl-piperazin-1-yl)-pyrrolidin-2-yl]-methanone: a potent, selective, orally active dipeptidyl peptidase IV inhibitor. Bioorg Med Chem Lett, Volume 19 (7), 2009";ChEMBL
MM474783;MM474783;O=C(C1CC(N2CCN(c3noc4ccccc34)CC2)CN1)N1CCC(F)(F)C1;;405.45;1.55;44565844;;;CHEMBL475246;MDCK;EMDCK;25;0;"from A to B, <a href=https://www.ebi.ac.uk/chembl/assay_report_card/CHEMBL1022014/  target=_blank>CHEMBL1022014</a>";;;;;;;;;-4.73;;;;;;;;;;;;"Ammirati MJ, Andrews KM, Boyer DD, Brodeur AM, Danley DE, Doran SD, Hulin B, Liu S, McPherson RK, Orena SJ, Parker JC, Polivkova J, Qiu X, Soglia CB, Treadway JL, VanVolkenburg MA, Wilder DC, Piotrowski DW.: (3,3-Difluoro-pyrrolidin-1-yl)-[(2S,4S)-(4-(4-pyrimidin-2-yl-piperazin-1-yl)-pyrrolidin-2-yl]-methanone: a potent, selective, orally active dipeptidyl peptidase IV inhibitor. Bioorg Med Chem Lett, Volume 19 (7), 2009";ChEMBL
MM474769;MM474769;CC(C)(C)c1cnc(CSc2cnc(N[C@H]3CC[C@H](N)CC3)s2)o1;JFSGUSJACVSEKX-HAQNSBGRSA-N;366.56;4.4;;;;;MDCK;EMDCK;25;0;"from A to B, <a href=https://www.ebi.ac.uk/chembl/assay_report_card/CHEMBL1002046/  target=_blank>CHEMBL1002046</a>";;;;;;;;;-7.01;;;;;;;;;;;;"Choong IC, Serafimova I, Fan J, Stockett D, Chan E, Cheeti S, Lu Y, Fahr B, Pham P, Arkin MR, Walker DH, Hoch U.: A diaminocyclohexyl analog of SNS-032 with improved permeability and bioavailability properties. Bioorg Med Chem Lett, Volume 18 (21), 2008";ChEMBL
MM475083;MM475083;CC1NCCCC1C(=O)Nc1ncc(SCc2ncc(C(C)(C)C)o2)s1;LOUYPYUMEQLFIO-UHFFFAOYSA-N;394.57;4.05;;;;;MDCK;EMDCK;25;0;"from A to B, <a href=https://www.ebi.ac.uk/chembl/assay_report_card/CHEMBL965587/  target=_blank>CHEMBL965587</a>";;;;;;;;;-6.38;;;;;;;;;;;;"Fan J, Fahr B, Stockett D, Chan E, Cheeti S, Serafimova I, Lu Y, Pham P, Walker DH, Hoch U, Choong IC.: Modifications of the isonipecotic acid fragment of SNS-032: analogs with improved permeability and lower efflux ratio. Bioorg Med Chem Lett, Volume 18 (23), 2008";ChEMBL
MM475084;MM475084;CC(C)C1CC(C(=O)Nc2ncc(SCc3ncc(C(C)(C)C)o3)s2)CCN1;SYGZEVSXMXZNJX-UHFFFAOYSA-N;422.62;4.68;;;;;MDCK;EMDCK;25;0;"from A to B, <a href=https://www.ebi.ac.uk/chembl/assay_report_card/CHEMBL965587/  target=_blank>CHEMBL965587</a>";;;;;;;;;-7.27;;;;;;;;;;;;"Fan J, Fahr B, Stockett D, Chan E, Cheeti S, Serafimova I, Lu Y, Pham P, Walker DH, Hoch U, Choong IC.: Modifications of the isonipecotic acid fragment of SNS-032: analogs with improved permeability and lower efflux ratio. Bioorg Med Chem Lett, Volume 18 (23), 2008";ChEMBL
MM474784;MM474784;N#Cc1cccnc1N1CCN(C2CNC(C(=O)N3CCC(F)(F)C3)C2)CC1;;390.44;0.67;44565872;;;CHEMBL514011;MDCK;EMDCK;25;0;"from A to B, <a href=https://www.ebi.ac.uk/chembl/assay_report_card/CHEMBL1022014/  target=_blank>CHEMBL1022014</a>";;;;;;;;;-4.98;;;;;;;;;;;;"Ammirati MJ, Andrews KM, Boyer DD, Brodeur AM, Danley DE, Doran SD, Hulin B, Liu S, McPherson RK, Orena SJ, Parker JC, Polivkova J, Qiu X, Soglia CB, Treadway JL, VanVolkenburg MA, Wilder DC, Piotrowski DW.: (3,3-Difluoro-pyrrolidin-1-yl)-[(2S,4S)-(4-(4-pyrimidin-2-yl-piperazin-1-yl)-pyrrolidin-2-yl]-methanone: a potent, selective, orally active dipeptidyl peptidase IV inhibitor. Bioorg Med Chem Lett, Volume 19 (7), 2009";ChEMBL
MM474785;MM474785;O=C([C@@H]1C[C@H](N2CCN(c3ncccn3)CC2)CN1)N1CC[C@H](F)C1;;348.43;-0.1;;;;CHEMBL514623;MDCK;EMDCK;25;0;"from A to B, <a href=https://www.ebi.ac.uk/chembl/assay_report_card/CHEMBL1022014/  target=_blank>CHEMBL1022014</a>";;;;;;;;;-5.07;;;;;;;;;;;;"Ammirati MJ, Andrews KM, Boyer DD, Brodeur AM, Danley DE, Doran SD, Hulin B, Liu S, McPherson RK, Orena SJ, Parker JC, Polivkova J, Qiu X, Soglia CB, Treadway JL, VanVolkenburg MA, Wilder DC, Piotrowski DW.: (3,3-Difluoro-pyrrolidin-1-yl)-[(2S,4S)-(4-(4-pyrimidin-2-yl-piperazin-1-yl)-pyrrolidin-2-yl]-methanone: a potent, selective, orally active dipeptidyl peptidase IV inhibitor. Bioorg Med Chem Lett, Volume 19 (7), 2009";ChEMBL
MM475112;MM475112;Cc1cc(F)ccc1NC(=O)Nc1ccc(CC(=O)N2CC(F)CC2COc2ccc(C(=O)O)cc2)cc1Cl;IXKJOSLEQCGVAX-SFTDATJTSA-N;557.98;5.69;44588004;;;CHEMBL515348;MDCK;EMDCK;25;0;"from A to B, <a href=https://www.ebi.ac.uk/chembl/assay_report_card/CHEMBL987229/  target=_blank>CHEMBL987229</a>";;;;;;;;;-5.92;;;;;;;;;;;;"Muro F, Iimura S, Yoneda Y, Chiba J, Watanabe T, Setoguchi M, Iigou Y, Takayama G, Yokoyama M, Takashi T, Nakayama A, Machinaga N.: Identification of 4-[1-[3-chloro-4-[N'-(5-fluoro-2-methylphenyl)ureido]phenylacetyl]-(4S)-fluoro-(2S)-pyrrolidinylmethoxy]benzoic acid as a potent, orally active VLA-4 antagonist. Bioorg Med Chem, Volume 16 (23), 2008";ChEMBL
MM475113;MM475113;Cc1cc(NC(=O)Nc2ccccc2C)c(Cl)cc1CC(=O)N1CC(F)CC1COc1ccc(C(=O)O)cc1;DOJRXKAOYCDVRA-VXKWHMMOSA-N;554.02;5.86;44588482;;;CHEMBL515662;MDCK;EMDCK;25;0;"from A to B, <a href=https://www.ebi.ac.uk/chembl/assay_report_card/CHEMBL987229/  target=_blank>CHEMBL987229</a>";;;;;;;;;-5.74;;;;;;;;;;;;"Muro F, Iimura S, Yoneda Y, Chiba J, Watanabe T, Setoguchi M, Iigou Y, Takayama G, Yokoyama M, Takashi T, Nakayama A, Machinaga N.: Identification of 4-[1-[3-chloro-4-[N'-(5-fluoro-2-methylphenyl)ureido]phenylacetyl]-(4S)-fluoro-(2S)-pyrrolidinylmethoxy]benzoic acid as a potent, orally active VLA-4 antagonist. Bioorg Med Chem, Volume 16 (23), 2008";ChEMBL
MM475114;MM475114;O=C(Nc1cc(F)c(CC(=O)N2CC(F)CC2COc2ccc(C(=O)O)cc2)cc1Cl)Nc1ccccc1Br;IWGNNKVAMHXIPW-ROUUACIJSA-N;622.85;6.14;44588526;;;CHEMBL515819;MDCK;EMDCK;25;0;"from A to B, <a href=https://www.ebi.ac.uk/chembl/assay_report_card/CHEMBL987229/  target=_blank>CHEMBL987229</a>";;;;;;;;;-5.19;;;;;;;;;;;;"Muro F, Iimura S, Yoneda Y, Chiba J, Watanabe T, Setoguchi M, Iigou Y, Takayama G, Yokoyama M, Takashi T, Nakayama A, Machinaga N.: Identification of 4-[1-[3-chloro-4-[N'-(5-fluoro-2-methylphenyl)ureido]phenylacetyl]-(4S)-fluoro-(2S)-pyrrolidinylmethoxy]benzoic acid as a potent, orally active VLA-4 antagonist. Bioorg Med Chem, Volume 16 (23), 2008";ChEMBL
MM474787;MM474787;O=C(C1CC(N2CCN(c3ncccn3)CC2)CN1)N1CC(F)(F)C(F)(F)C1;;402.4;0.44;44565583;;;CHEMBL515869;MDCK;EMDCK;25;0;"from A to B, <a href=https://www.ebi.ac.uk/chembl/assay_report_card/CHEMBL1022014/  target=_blank>CHEMBL1022014</a>";;;;;;;;;-4.64;;;;;;;;;;;;"Ammirati MJ, Andrews KM, Boyer DD, Brodeur AM, Danley DE, Doran SD, Hulin B, Liu S, McPherson RK, Orena SJ, Parker JC, Polivkova J, Qiu X, Soglia CB, Treadway JL, VanVolkenburg MA, Wilder DC, Piotrowski DW.: (3,3-Difluoro-pyrrolidin-1-yl)-[(2S,4S)-(4-(4-pyrimidin-2-yl-piperazin-1-yl)-pyrrolidin-2-yl]-methanone: a potent, selective, orally active dipeptidyl peptidase IV inhibitor. Bioorg Med Chem Lett, Volume 19 (7), 2009";ChEMBL
MM474813;MM474813;CC(=O)N[C@@H](Cc1cc(F)cc(F)c1)[C@H](O)CNC1(c2cccc(C(C)(C)C)c2)CCOCC1;;474.59;3.97;;;;CHEMBL570556;MDCK;EMDCK;25;0;"from A to B, <a href=https://www.ebi.ac.uk/chembl/assay_report_card/CHEMBL1045215/  target=_blank>CHEMBL1045215</a>";;;;;;;;;-5.09;;;;;;;;;;;;"Sealy JM, Truong AP, Tso L, Probst GD, Aquino J, Hom RK, Jagodzinska BM, Dressen D, Wone DW, Brogley L, John V, Tung JS, Pleiss MA, Tucker JA, Konradi AW, Dappen MS, Toth G, Pan H, Ruslim L, Miller J, Bova MP, Sinha S, Quinn KP, Sauer JM.: Design and synthesis of cell potent BACE-1 inhibitors: structure-activity relationship of P1' substituents. Bioorg Med Chem Lett, Volume 19 (22), 2009";ChEMBL
MM474814;MM474814;CC(=O)N[C@@H](Cc1cc(F)cc(F)c1)[C@H](O)CN[C@]1(c2cccc(C(C)(C)C)c2)CC[C@@H](O)CC1;GJZNABCEATUZGN-NAVOWQOKSA-N;488.62;4.09;;;;;MDCK;EMDCK;25;0;"from A to B, <a href=https://www.ebi.ac.uk/chembl/assay_report_card/CHEMBL1045215/  target=_blank>CHEMBL1045215</a>";;;;;;;;;-6.52;;;;;;;;;;;;"Sealy JM, Truong AP, Tso L, Probst GD, Aquino J, Hom RK, Jagodzinska BM, Dressen D, Wone DW, Brogley L, John V, Tung JS, Pleiss MA, Tucker JA, Konradi AW, Dappen MS, Toth G, Pan H, Ruslim L, Miller J, Bova MP, Sinha S, Quinn KP, Sauer JM.: Design and synthesis of cell potent BACE-1 inhibitors: structure-activity relationship of P1' substituents. Bioorg Med Chem Lett, Volume 19 (22), 2009";ChEMBL
MM474817;MM474817;C[C@@H]1c2c[nH]nc2-c2cc(F)ccc2N1S(=O)(=O)c1ccc(Cl)cc1;OTXHDBQTORDBPA-SNVBAGLBSA-N;377.83;4.14;;;;;MDCK;EMDCK;25;0;"from A to B, <a href=https://www.ebi.ac.uk/chembl/assay_report_card/CHEMBL1048202/  target=_blank>CHEMBL1048202</a>";;;;;;;;;-4.7;;;;;;;;;;;;"Truong AP, Aubele DL, Probst GD, Neitzel ML, Semko CM, Bowers S, Dressen D, Hom RK, Konradi AW, Sham HL, Garofalo AW, Keim PS, Wu J, Dappen MS, Wong K, Goldbach E, Quinn KP, Sauer JM, Brigham EF, Wallace W, Nguyen L, Hemphill SS, Bova MP, Bard F, Yednock TA, Basi G.: Design, synthesis, and structure-activity relationship of novel orally efficacious pyrazole/sulfonamide based dihydroquinoline gamma-secretase inhibitors. Bioorg Med Chem Lett, Volume 19 (17), 2009";ChEMBL
MM474815;MM474815;CC(=O)NC(Cc1cc(F)cc(F)c1)C(O)CNC1(c2cccc(C(C)(C)C)c2)CCCCC1;;472.62;5.12;11754571;;;CHEMBL571860;MDCK;EMDCK;25;0;"from A to B, <a href=https://www.ebi.ac.uk/chembl/assay_report_card/CHEMBL1045215/  target=_blank>CHEMBL1045215</a>";;;;;;;;;-6.15;;;;;;;;;;;;"Sealy JM, Truong AP, Tso L, Probst GD, Aquino J, Hom RK, Jagodzinska BM, Dressen D, Wone DW, Brogley L, John V, Tung JS, Pleiss MA, Tucker JA, Konradi AW, Dappen MS, Toth G, Pan H, Ruslim L, Miller J, Bova MP, Sinha S, Quinn KP, Sauer JM.: Design and synthesis of cell potent BACE-1 inhibitors: structure-activity relationship of P1' substituents. Bioorg Med Chem Lett, Volume 19 (22), 2009";ChEMBL
MM474818;MM474818;O=S(=O)(c1ccc(C(F)(F)F)cn1)N1c2ccc(F)cc2-c2n[nH]cc2[C@H]1C1CC1;VEHFINFYUNHULM-GOSISDBHSA-N;438.41;4.29;;;;;MDCK;EMDCK;25;0;"from A to B, <a href=https://www.ebi.ac.uk/chembl/assay_report_card/CHEMBL1048202/  target=_blank>CHEMBL1048202</a>";;;;;;;;;-4.6;;;;;;;;;;;;"Truong AP, Aubele DL, Probst GD, Neitzel ML, Semko CM, Bowers S, Dressen D, Hom RK, Konradi AW, Sham HL, Garofalo AW, Keim PS, Wu J, Dappen MS, Wong K, Goldbach E, Quinn KP, Sauer JM, Brigham EF, Wallace W, Nguyen L, Hemphill SS, Bova MP, Bard F, Yednock TA, Basi G.: Design, synthesis, and structure-activity relationship of novel orally efficacious pyrazole/sulfonamide based dihydroquinoline gamma-secretase inhibitors. Bioorg Med Chem Lett, Volume 19 (17), 2009";ChEMBL
MM474841;MM474841;Cc1ccc2oc(N3CCN4CCC3CC4)nc2n1;BSNKYWSMUAGMDO-UHFFFAOYSA-N;258.33;1.82;11184481;;;CHEMBL604798;MDCK;EMDCK;25;0;"from A to B, <a href=https://www.ebi.ac.uk/chembl/assay_report_card/CHEMBL1070103/  target=_blank>CHEMBL1070103</a>";;;;;;;;;-4.74;;;;;;;;;;;;"O'Donnell CJ, Rogers BN, Bronk BS, Bryce DK, Coe JW, Cook KK, Duplantier AJ, Evrard E, Hajós M, Hoffmann WE, Hurst RS, Maklad N, Mather RJ, McLean S, Nedza FM, O'Neill BT, Peng L, Qian W, Rottas MM, Sands SB, Schmidt AW, Shrikhande AV, Spracklin DK, Wong DF, Zhang A, Zhang L.: Discovery of 4-(5-methyloxazolo[4,5-b]pyridin-2-yl)-1,4-diazabicyclo[3.2.2]nonane (CP-810,123), a novel alpha 7 nicotinic acetylcholine receptor agonist for the treatment of cognitive disorders in schizophrenia: synthesis, SAR development, and in vivo efficacy in cognition models. J Med Chem, Volume 53 (3), 2010";ChEMBL
MM474816;MM474816;CC(=O)N[C@@H](Cc1cc(F)cc(F)c1)[C@H](O)CNC1(c2cccc(C(C)(C)C)c2)CCc2n[nH]cc2C1;BAILJXDQIBWAPX-ZDCXKQOISA-N;510.63;4.07;;;;;MDCK;EMDCK;25;0;"from A to B, <a href=https://www.ebi.ac.uk/chembl/assay_report_card/CHEMBL1045215/  target=_blank>CHEMBL1045215</a>";;;;;;;;;-5.8;;;;;;;;;;;;"Sealy JM, Truong AP, Tso L, Probst GD, Aquino J, Hom RK, Jagodzinska BM, Dressen D, Wone DW, Brogley L, John V, Tung JS, Pleiss MA, Tucker JA, Konradi AW, Dappen MS, Toth G, Pan H, Ruslim L, Miller J, Bova MP, Sinha S, Quinn KP, Sauer JM.: Design and synthesis of cell potent BACE-1 inhibitors: structure-activity relationship of P1' substituents. Bioorg Med Chem Lett, Volume 19 (22), 2009";ChEMBL
MM474860;MM474860;O=C(c1cccc(Cl)c1Cl)N(C1=CCOC=C1)C1CCNC1;;339.22;3.23;46882857;;;CHEMBL1079263;MDCK;EMDCK;25;0;"from A to B, MDCK-MDR, <a href=https://www.ebi.ac.uk/chembl/assay_report_card/CHEMBL1112306/  target=_blank>CHEMBL1112306</a>";;;;;;;;;-6;;;;;;;;;;;;"Wakenhut F, Allan GA, Fish PV, Fray MJ, Harrison AC, McCoy R, Phillips SC, Ryckmans T, Stobie A, Westbrook D, Westbrook SL, Whitlock GA.: N-[(3S)-Pyrrolidin-3-yl]benzamides as novel dual serotonin and noradrenaline reuptake inhibitors: impact of small structural modifications on P-gp recognition and CNS penetration. Bioorg Med Chem Lett, Volume 19 (17), 2009";ChEMBL
MM474861;MM474861;CC(C)CN(C(=O)c1cccc(Cl)c1Cl)C1CCNC1;;315.24;3.45;11392888;;;CHEMBL1080787;MDCK;EMDCK;25;0;"from A to B, MDCK-MDR, <a href=https://www.ebi.ac.uk/chembl/assay_report_card/CHEMBL1112306/  target=_blank>CHEMBL1112306</a>";;;;;;;;;-4.8;;;;;;;;;;;;"Wakenhut F, Allan GA, Fish PV, Fray MJ, Harrison AC, McCoy R, Phillips SC, Ryckmans T, Stobie A, Westbrook D, Westbrook SL, Whitlock GA.: N-[(3S)-Pyrrolidin-3-yl]benzamides as novel dual serotonin and noradrenaline reuptake inhibitors: impact of small structural modifications on P-gp recognition and CNS penetration. Bioorg Med Chem Lett, Volume 19 (17), 2009";ChEMBL
MM474862;MM474862;O=C(c1cccc(Cl)c1Cl)N(C1CCCC1)C1CCNC1;;327.26;3.74;23582127;;;CHEMBL1080968;MDCK;EMDCK;25;0;"from A to B, MDCK-MDR, <a href=https://www.ebi.ac.uk/chembl/assay_report_card/CHEMBL1112306/  target=_blank>CHEMBL1112306</a>";;;;;;;;;-5;;;;;;;;;;;;"Wakenhut F, Allan GA, Fish PV, Fray MJ, Harrison AC, McCoy R, Phillips SC, Ryckmans T, Stobie A, Westbrook D, Westbrook SL, Whitlock GA.: N-[(3S)-Pyrrolidin-3-yl]benzamides as novel dual serotonin and noradrenaline reuptake inhibitors: impact of small structural modifications on P-gp recognition and CNS penetration. Bioorg Med Chem Lett, Volume 19 (17), 2009";ChEMBL
MM474885;MM474885;CC(C)S(=O)(=O)NC1Cc2ccc(-c3cccc(NS(C)(=O)=O)c3)cc2C1;ZXEQISNRIFKVAM-UHFFFAOYSA-N;408.55;2.52;;;;;MDCK;EMDCK;25;0;"from A to B, MDCK-MDR, <a href=https://www.ebi.ac.uk/chembl/assay_report_card/CHEMBL1217492/  target=_blank>CHEMBL1217492</a>";;;;;;;;;-4.22;;;;;;;;;;;;"Ward SE, Harries M, Aldegheri L, Andreotti D, Ballantine S, Bax BD, Harris AJ, Harker AJ, Lund J, Melarange R, Mingardi A, Mookherjee C, Mosley J, Neve M, Oliosi B, Profeta R, Smith KJ, Smith PW, Spada S, Thewlis KM, Yusaf SP.: Discovery of N-[(2S)-5-(6-fluoro-3-pyridinyl)-2,3-dihydro-1H-inden-2-yl]-2-propanesulfonamide, a novel clinical AMPA receptor positive modulator. J Med Chem, Volume 53 (15), 2010";ChEMBL
MM474886;MM474886;CC(C)S(=O)(=O)NC1Cc2ccc(-c3cccc(N(C)S(C)(=O)=O)c3)cc2C1;KJGGJMVDQRUQSH-UHFFFAOYSA-N;422.57;2.54;;;;;MDCK;EMDCK;25;0;"from A to B, MDCK-MDR, <a href=https://www.ebi.ac.uk/chembl/assay_report_card/CHEMBL1217492/  target=_blank>CHEMBL1217492</a>";;;;;;;;;-4.16;;;;;;;;;;;;"Ward SE, Harries M, Aldegheri L, Andreotti D, Ballantine S, Bax BD, Harris AJ, Harker AJ, Lund J, Melarange R, Mingardi A, Mookherjee C, Mosley J, Neve M, Oliosi B, Profeta R, Smith KJ, Smith PW, Spada S, Thewlis KM, Yusaf SP.: Discovery of N-[(2S)-5-(6-fluoro-3-pyridinyl)-2,3-dihydro-1H-inden-2-yl]-2-propanesulfonamide, a novel clinical AMPA receptor positive modulator. J Med Chem, Volume 53 (15), 2010";ChEMBL
MM474887;MM474887;CC(C)S(=O)(=O)N[C@H]1Cc2ccc(-c3ccc(F)nc3)cc2C1;QXQSUBKWSHMXDP-INIZCTEOSA-N;334.42;2.68;;;;;MDCK;EMDCK;25;0;"from A to B, MDCK-MDR, <a href=https://www.ebi.ac.uk/chembl/assay_report_card/CHEMBL1217492/  target=_blank>CHEMBL1217492</a>";;;;;;;;;-4.16;;;;;;;;;;;;"Ward SE, Harries M, Aldegheri L, Andreotti D, Ballantine S, Bax BD, Harris AJ, Harker AJ, Lund J, Melarange R, Mingardi A, Mookherjee C, Mosley J, Neve M, Oliosi B, Profeta R, Smith KJ, Smith PW, Spada S, Thewlis KM, Yusaf SP.: Discovery of N-[(2S)-5-(6-fluoro-3-pyridinyl)-2,3-dihydro-1H-inden-2-yl]-2-propanesulfonamide, a novel clinical AMPA receptor positive modulator. J Med Chem, Volume 53 (15), 2010";ChEMBL
MM474888;MM474888;Cc1ccc(-c2ccc3c(c2)C[C@@H](NS(=O)(=O)C(C)C)C3)cn1;OCJKHBCJMIOPJS-SFHVURJKSA-N;330.45;2.85;;;;;MDCK;EMDCK;25;0;"from A to B, MDCK-MDR, <a href=https://www.ebi.ac.uk/chembl/assay_report_card/CHEMBL1217492/  target=_blank>CHEMBL1217492</a>";;;;;;;;;-4.2;;;;;;;;;;;;"Ward SE, Harries M, Aldegheri L, Andreotti D, Ballantine S, Bax BD, Harris AJ, Harker AJ, Lund J, Melarange R, Mingardi A, Mookherjee C, Mosley J, Neve M, Oliosi B, Profeta R, Smith KJ, Smith PW, Spada S, Thewlis KM, Yusaf SP.: Discovery of N-[(2S)-5-(6-fluoro-3-pyridinyl)-2,3-dihydro-1H-inden-2-yl]-2-propanesulfonamide, a novel clinical AMPA receptor positive modulator. J Med Chem, Volume 53 (15), 2010";ChEMBL
MM474889;MM474889;CC(C)S(=O)(=O)N[C@H]1Cc2ccc(-c3ccc(F)cn3)cc2C1;QJVMDGUSBHUPRY-INIZCTEOSA-N;334.42;2.68;;;;;MDCK;EMDCK;25;0;"from A to B, MDCK-MDR, <a href=https://www.ebi.ac.uk/chembl/assay_report_card/CHEMBL1217492/  target=_blank>CHEMBL1217492</a>";;;;;;;;;-4.25;;;;;;;;;;;;"Ward SE, Harries M, Aldegheri L, Andreotti D, Ballantine S, Bax BD, Harris AJ, Harker AJ, Lund J, Melarange R, Mingardi A, Mookherjee C, Mosley J, Neve M, Oliosi B, Profeta R, Smith KJ, Smith PW, Spada S, Thewlis KM, Yusaf SP.: Discovery of N-[(2S)-5-(6-fluoro-3-pyridinyl)-2,3-dihydro-1H-inden-2-yl]-2-propanesulfonamide, a novel clinical AMPA receptor positive modulator. J Med Chem, Volume 53 (15), 2010";ChEMBL
MM474891;MM474891;CN(C)C(=O)NC1CCC(CCN2C3CCC2CC(Oc2cccc(C(N)=O)c2)C3)CC1;ZNKQZQCGGXGVRU-AGMAZQPASA-N;442.6;3.38;49865732;;;CHEMBL1223872;MDCK;EMDCK;25;0;"from A to B, MDCK-MDR, <a href=https://www.ebi.ac.uk/chembl/assay_report_card/CHEMBL1225860/  target=_blank>CHEMBL1225860</a>";;;;;;;;;-5.72;;;;;;;;;;;;"Brugel TA, Smith RW, Balestra M, Becker C, Daniels T, Koether GM, Throner SR, Panko LM, Brown DG, Liu R, Gordon J, Peters MF.: SAR development of a series of 8-azabicyclo[3.2.1]octan-3-yloxy-benzamides as kappa opioid receptor antagonists. Part 2. Bioorg Med Chem Lett, Volume 20 (18), 2010";ChEMBL
MM474892;MM474892;NC(=O)c1cccc(CC2CC3CCC(C2)N3Cc2ccccc2)c1;SKQZYGXREOYGMD-NUZGMZIFSA-N;334.46;3.77;49865783;;;CHEMBL1223952;MDCK;EMDCK;25;0;"from A to B, MDCK-MDR, <a href=https://www.ebi.ac.uk/chembl/assay_report_card/CHEMBL1225860/  target=_blank>CHEMBL1225860</a>";;;;;;;;;-4.85;;;;;;;;;;;;"Brugel TA, Smith RW, Balestra M, Becker C, Daniels T, Koether GM, Throner SR, Panko LM, Brown DG, Liu R, Gordon J, Peters MF.: SAR development of a series of 8-azabicyclo[3.2.1]octan-3-yloxy-benzamides as kappa opioid receptor antagonists. Part 2. Bioorg Med Chem Lett, Volume 20 (18), 2010";ChEMBL
MM474895;MM474895;Cc1ccc(C(C)N2C3CCC2CC(Oc2cccc(C(N)=O)c2)C3)cn1;FFCXAJUMJUOFPK-KBMWQNTOSA-N;365.48;3.62;52944974;;;CHEMBL1257458;MDCK;EMDCK;25;0;"from A to B, MDCK-MDR, <a href=https://www.ebi.ac.uk/chembl/assay_report_card/CHEMBL1259366/  target=_blank>CHEMBL1259366</a>";;;;;;;;;-5.04;;;;;;;;;;;;"Brugel TA, Smith RW, Balestra M, Becker C, Daniels T, Hoerter TN, Koether GM, Throner SR, Panko LM, Folmer JJ, Cacciola J, Hunter AM, Liu R, Edwards PD, Brown DG, Gordon J, Ledonne NC, Pietras M, Schroeder P, Sygowski LA, Hirata LT, Zacco A, Peters MF.: Discovery of 8-azabicyclo[3.2.1]octan-3-yloxy-benzamides as selective antagonists of the kappa opioid receptor. Part 1. Bioorg Med Chem Lett, Volume 20 (19), 2010";ChEMBL
MM474904;MM474904;Cn1ncc2c(Nc3ccc(S(C)(=O)=O)cc3)nc(-c3cccc4[nH]ncc34)nc21;;419.47;3.05;;;;CHEMBL1257534;MDCK;EMDCK;25;0;"from A to B, MDCK-MDR, <a href=https://www.ebi.ac.uk/chembl/assay_report_card/CHEMBL1260874/  target=_blank>CHEMBL1260874</a>";;;;;;;;;-6.89;;;;;;;;;;;;"Staben ST, Heffron TP, Sutherlin DP, Bhat SR, Castanedo GM, Chuckowree IS, Dotson J, Folkes AJ, Friedman LS, Lee L, Lesnick J, Lewis C, Murray JM, Nonomiya J, Olivero AG, Plise E, Pang J, Prior WW, Salphati L, Rouge L, Sampath D, Tsui V, Wan NC, Wang S, Weismann C, Wu P, Zhu BY.: Structure-based optimization of pyrazolo-pyrimidine and -pyridine inhibitors of PI3-kinase. Bioorg Med Chem Lett, Volume 20 (20), 2010";ChEMBL
MM474905;MM474905;Cn1ncc2c(Oc3ccc(S(C)(=O)=O)cc3)nc(-c3cccc4[nH]ncc34)nc21;;420.45;3.1;;;;CHEMBL1257535;MDCK;EMDCK;25;0;"from A to B, MDCK-MDR, <a href=https://www.ebi.ac.uk/chembl/assay_report_card/CHEMBL1260874/  target=_blank>CHEMBL1260874</a>";;;;;;;;;-6.1;;;;;;;;;;;;"Staben ST, Heffron TP, Sutherlin DP, Bhat SR, Castanedo GM, Chuckowree IS, Dotson J, Folkes AJ, Friedman LS, Lee L, Lesnick J, Lewis C, Murray JM, Nonomiya J, Olivero AG, Plise E, Pang J, Prior WW, Salphati L, Rouge L, Sampath D, Tsui V, Wan NC, Wang S, Weismann C, Wu P, Zhu BY.: Structure-based optimization of pyrazolo-pyrimidine and -pyridine inhibitors of PI3-kinase. Bioorg Med Chem Lett, Volume 20 (20), 2010";ChEMBL
MM474896;MM474896;Cc1ccc(CN2C3CCC2CC(Oc2cccc(C(N)=O)c2)C3)s1;RLHOWHVHHMGIKE-ALXJQNPVSA-N;356.49;3.73;49765077;;;CHEMBL1257578;MDCK;EMDCK;25;0;"from A to B, MDCK-MDR, <a href=https://www.ebi.ac.uk/chembl/assay_report_card/CHEMBL1259366/  target=_blank>CHEMBL1259366</a>";;;;;;;;;-4.89;;;;;;;;;;;;"Brugel TA, Smith RW, Balestra M, Becker C, Daniels T, Hoerter TN, Koether GM, Throner SR, Panko LM, Folmer JJ, Cacciola J, Hunter AM, Liu R, Edwards PD, Brown DG, Gordon J, Ledonne NC, Pietras M, Schroeder P, Sygowski LA, Hirata LT, Zacco A, Peters MF.: Discovery of 8-azabicyclo[3.2.1]octan-3-yloxy-benzamides as selective antagonists of the kappa opioid receptor. Part 1. Bioorg Med Chem Lett, Volume 20 (19), 2010";ChEMBL
MM474906;MM474906;Cn1ncc2c(-c3ccc(S(C)(=O)=O)cc3)nc(-c3cccc4[nH]ncc34)nc21;;404.46;2.98;;;;CHEMBL1257652;MDCK;EMDCK;25;0;"from A to B, MDCK-MDR, <a href=https://www.ebi.ac.uk/chembl/assay_report_card/CHEMBL1260874/  target=_blank>CHEMBL1260874</a>";;;;;;;;;-5.12;;;;;;;;;;;;"Staben ST, Heffron TP, Sutherlin DP, Bhat SR, Castanedo GM, Chuckowree IS, Dotson J, Folkes AJ, Friedman LS, Lee L, Lesnick J, Lewis C, Murray JM, Nonomiya J, Olivero AG, Plise E, Pang J, Prior WW, Salphati L, Rouge L, Sampath D, Tsui V, Wan NC, Wang S, Weismann C, Wu P, Zhu BY.: Structure-based optimization of pyrazolo-pyrimidine and -pyridine inhibitors of PI3-kinase. Bioorg Med Chem Lett, Volume 20 (20), 2010";ChEMBL
MM474907;MM474907;Cn1ncc2c(Oc3ccc(S(C)(=O)=O)cc3)cc(-c3cccc4[nH]ncc34)nc21;;419.47;3.71;;;;CHEMBL1257653;MDCK;EMDCK;25;0;"from A to B, MDCK-MDR, <a href=https://www.ebi.ac.uk/chembl/assay_report_card/CHEMBL1260874/  target=_blank>CHEMBL1260874</a>";;;;;;;;;-5.92;;;;;;;;;;;;"Staben ST, Heffron TP, Sutherlin DP, Bhat SR, Castanedo GM, Chuckowree IS, Dotson J, Folkes AJ, Friedman LS, Lee L, Lesnick J, Lewis C, Murray JM, Nonomiya J, Olivero AG, Plise E, Pang J, Prior WW, Salphati L, Rouge L, Sampath D, Tsui V, Wan NC, Wang S, Weismann C, Wu P, Zhu BY.: Structure-based optimization of pyrazolo-pyrimidine and -pyridine inhibitors of PI3-kinase. Bioorg Med Chem Lett, Volume 20 (20), 2010";ChEMBL
MM474897;MM474897;NC(=O)c1cccc(OC2CC3CCC(C2)N3CC2CCCCC2)c1;ZKZMTIDHRGLEJP-OPVJXMOQSA-N;342.48;3.74;49765080;;;CHEMBL1258279;MDCK;EMDCK;25;0;"from A to B, MDCK-MDR, <a href=https://www.ebi.ac.uk/chembl/assay_report_card/CHEMBL1259366/  target=_blank>CHEMBL1259366</a>";;;;;;;;;-5.08;;;;;;;;;;;;"Brugel TA, Smith RW, Balestra M, Becker C, Daniels T, Hoerter TN, Koether GM, Throner SR, Panko LM, Folmer JJ, Cacciola J, Hunter AM, Liu R, Edwards PD, Brown DG, Gordon J, Ledonne NC, Pietras M, Schroeder P, Sygowski LA, Hirata LT, Zacco A, Peters MF.: Discovery of 8-azabicyclo[3.2.1]octan-3-yloxy-benzamides as selective antagonists of the kappa opioid receptor. Part 1. Bioorg Med Chem Lett, Volume 20 (19), 2010";ChEMBL
MM474884;MM474884;C/C=C/C[C@@H](C)[C@@H](O)[C@H]1C(=O)N[C@@H](CC)C(=O)N(C)[C@H](SCCN(C)C)C(=O)N(C)[C@@H](CC(C)(C)O)C(=O)N[C@@H](C(C)C)C(=O)N(C)[C@@H](CC(C)C)C(=O)N[C@@H](C)C(=O)N[C@H](C)C(=O)N(C)[C@@H](CC(C)C)C(=O)N(C)[C@@H](CC(C)C)C(=O)N(C)[C@@H](C(C)C)C(=O)N1C;;1321.82;3;;;;CHEMBL1269597;MDCK;EMDCK;25;0;"from A to B, MDCK-MDR, <a href=https://www.ebi.ac.uk/chembl/assay_report_card/CHEMBL1216202/  target=_blank>CHEMBL1216202</a>";;;;;;;;;-6.72;;;;;;;;;;;;"Hopkins S, Scorneaux B, Huang Z, Murray MG, Wring S, Smitley C, Harris R, Erdmann F, Fischer G, Ribeill Y.: SCY-635, a novel nonimmunosuppressive analog of cyclosporine that exhibits potent inhibition of hepatitis C virus RNA replication in vitro. Antimicrob Agents Chemother, Volume 54 (2), 2010";ChEMBL
MM474884;MM474884;C/C=C/C[C@@H](C)[C@@H](O)[C@H]1C(=O)N[C@@H](CC)C(=O)N(C)[C@H](SCCN(C)C)C(=O)N(C)[C@@H](CC(C)(C)O)C(=O)N[C@@H](C(C)C)C(=O)N(C)[C@@H](CC(C)C)C(=O)N[C@@H](C)C(=O)N[C@H](C)C(=O)N(C)[C@@H](CC(C)C)C(=O)N(C)[C@@H](CC(C)C)C(=O)N(C)[C@@H](C(C)C)C(=O)N1C;;1321.82;3;;;;CHEMBL1269597;MDCK;EMDCK;25;0;"from A to B, MDCK-MDR, <a href=https://www.ebi.ac.uk/chembl/assay_report_card/CHEMBL1216203/  target=_blank>CHEMBL1216203</a>";;;;;;;;;-6.19;;;;;;;;;;;;"Hopkins S, Scorneaux B, Huang Z, Murray MG, Wring S, Smitley C, Harris R, Erdmann F, Fischer G, Ribeill Y.: SCY-635, a novel nonimmunosuppressive analog of cyclosporine that exhibits potent inhibition of hepatitis C virus RNA replication in vitro. Antimicrob Agents Chemother, Volume 54 (2), 2010";ChEMBL
MM474884;MM474884;C/C=C/C[C@@H](C)[C@@H](O)[C@H]1C(=O)N[C@@H](CC)C(=O)N(C)[C@H](SCCN(C)C)C(=O)N(C)[C@@H](CC(C)(C)O)C(=O)N[C@@H](C(C)C)C(=O)N(C)[C@@H](CC(C)C)C(=O)N[C@@H](C)C(=O)N[C@H](C)C(=O)N(C)[C@@H](CC(C)C)C(=O)N(C)[C@@H](CC(C)C)C(=O)N(C)[C@@H](C(C)C)C(=O)N1C;;1321.82;3;;;;CHEMBL1269597;MDCK;EMDCK;25;0;"from A to B, MDCK-MDR, <a href=https://www.ebi.ac.uk/chembl/assay_report_card/CHEMBL1216204/  target=_blank>CHEMBL1216204</a>";;;;;;;;;-6.09;;;;;;;;;;;;"Hopkins S, Scorneaux B, Huang Z, Murray MG, Wring S, Smitley C, Harris R, Erdmann F, Fischer G, Ribeill Y.: SCY-635, a novel nonimmunosuppressive analog of cyclosporine that exhibits potent inhibition of hepatitis C virus RNA replication in vitro. Antimicrob Agents Chemother, Volume 54 (2), 2010";ChEMBL
MM474884;MM474884;C/C=C/C[C@@H](C)[C@@H](O)[C@H]1C(=O)N[C@@H](CC)C(=O)N(C)[C@H](SCCN(C)C)C(=O)N(C)[C@@H](CC(C)(C)O)C(=O)N[C@@H](C(C)C)C(=O)N(C)[C@@H](CC(C)C)C(=O)N[C@@H](C)C(=O)N[C@H](C)C(=O)N(C)[C@@H](CC(C)C)C(=O)N(C)[C@@H](CC(C)C)C(=O)N(C)[C@@H](C(C)C)C(=O)N1C;;1321.82;3;;;;CHEMBL1269597;MDCK;EMDCK;25;0;"from A to B, MDCK-MDR, <a href=https://www.ebi.ac.uk/chembl/assay_report_card/CHEMBL1216205/  target=_blank>CHEMBL1216205</a>";;;;;;;;;-6.73;;;;;;;;;;;;"Hopkins S, Scorneaux B, Huang Z, Murray MG, Wring S, Smitley C, Harris R, Erdmann F, Fischer G, Ribeill Y.: SCY-635, a novel nonimmunosuppressive analog of cyclosporine that exhibits potent inhibition of hepatitis C virus RNA replication in vitro. Antimicrob Agents Chemother, Volume 54 (2), 2010";ChEMBL
MM474921;MM474921;COc1ccc(CC(=O)Nc2ccsc2-n2nccn2)cc1;KHIAZVHADWMRSJ-UHFFFAOYSA-N;314.37;2.52;46869677;;;CHEMBL1288006;MDCK;EMDCK;25;0;"from A to B, MDCK-MDR, <a href=https://www.ebi.ac.uk/chembl/assay_report_card/CHEMBL1291193/  target=_blank>CHEMBL1291193</a>";;;;;;;;;-4.82;;;;;;;;;;;;"Hom RK, Bowers S, Sealy JM, Truong AP, Probst GD, Neitzel ML, Neitz RJ, Fang L, Brogley L, Wu J, Konradi AW, Sham HL, Tóth G, Pan H, Yao N, Artis DR, Quinn K, Sauer JM, Powell K, Ren Z, Bard F, Yednock TA, Griswold-Prenner I.: Design and synthesis of disubstituted thiophene and thiazole based inhibitors of JNK. Bioorg Med Chem Lett, Volume 20 (24), 2010";ChEMBL
MM474922;MM474922;COc1ccc(CC(=O)Nc2ccsc2N2CCOC2=O)cc1;JXSJAJUZRYNVGF-UHFFFAOYSA-N;332.38;2.89;52942482;;;CHEMBL1288037;MDCK;EMDCK;25;0;"from A to B, MDCK-MDR, <a href=https://www.ebi.ac.uk/chembl/assay_report_card/CHEMBL1291193/  target=_blank>CHEMBL1291193</a>";;;;;;;;;-4.59;;;;;;;;;;;;"Hom RK, Bowers S, Sealy JM, Truong AP, Probst GD, Neitzel ML, Neitz RJ, Fang L, Brogley L, Wu J, Konradi AW, Sham HL, Tóth G, Pan H, Yao N, Artis DR, Quinn K, Sauer JM, Powell K, Ren Z, Bard F, Yednock TA, Griswold-Prenner I.: Design and synthesis of disubstituted thiophene and thiazole based inhibitors of JNK. Bioorg Med Chem Lett, Volume 20 (24), 2010";ChEMBL
MM474923;MM474923;COc1ccc(CC(=O)Nc2ccsc2-c2nc(N)n[nH]2)cc1;AFCVEHHRQVGWID-UHFFFAOYSA-N;329.39;2.31;46869742;;;CHEMBL1288039;MDCK;EMDCK;25;0;"from A to B, MDCK-MDR, <a href=https://www.ebi.ac.uk/chembl/assay_report_card/CHEMBL1291193/  target=_blank>CHEMBL1291193</a>";;;;;;;;;-4.61;;;;;;;;;;;;"Hom RK, Bowers S, Sealy JM, Truong AP, Probst GD, Neitzel ML, Neitz RJ, Fang L, Brogley L, Wu J, Konradi AW, Sham HL, Tóth G, Pan H, Yao N, Artis DR, Quinn K, Sauer JM, Powell K, Ren Z, Bard F, Yednock TA, Griswold-Prenner I.: Design and synthesis of disubstituted thiophene and thiazole based inhibitors of JNK. Bioorg Med Chem Lett, Volume 20 (24), 2010";ChEMBL
MM474924;MM474924;COc1ccc(CC(=O)Nc2ccsc2-c2cn(C)cn2)cc1;RYGONSQYUUISGP-UHFFFAOYSA-N;327.41;3.34;52948565;;;CHEMBL1288067;MDCK;EMDCK;25;0;"from A to B, MDCK-MDR, <a href=https://www.ebi.ac.uk/chembl/assay_report_card/CHEMBL1291193/  target=_blank>CHEMBL1291193</a>";;;;;;;;;-5.15;;;;;;;;;;;;"Hom RK, Bowers S, Sealy JM, Truong AP, Probst GD, Neitzel ML, Neitz RJ, Fang L, Brogley L, Wu J, Konradi AW, Sham HL, Tóth G, Pan H, Yao N, Artis DR, Quinn K, Sauer JM, Powell K, Ren Z, Bard F, Yednock TA, Griswold-Prenner I.: Design and synthesis of disubstituted thiophene and thiazole based inhibitors of JNK. Bioorg Med Chem Lett, Volume 20 (24), 2010";ChEMBL
MM474925;MM474925;COc1ccc(CC(=O)Nc2ccsc2-c2cnc(C)[nH]2)cc1;LFLTYJDEZSLZGL-UHFFFAOYSA-N;327.41;3.64;52946092;;;CHEMBL1288069;MDCK;EMDCK;25;0;"from A to B, MDCK-MDR, <a href=https://www.ebi.ac.uk/chembl/assay_report_card/CHEMBL1291193/  target=_blank>CHEMBL1291193</a>";;;;;;;;;-4.47;;;;;;;;;;;;"Hom RK, Bowers S, Sealy JM, Truong AP, Probst GD, Neitzel ML, Neitz RJ, Fang L, Brogley L, Wu J, Konradi AW, Sham HL, Tóth G, Pan H, Yao N, Artis DR, Quinn K, Sauer JM, Powell K, Ren Z, Bard F, Yednock TA, Griswold-Prenner I.: Design and synthesis of disubstituted thiophene and thiazole based inhibitors of JNK. Bioorg Med Chem Lett, Volume 20 (24), 2010";ChEMBL
MM474926;MM474926;COc1ccc(CC(=O)Nc2ccsc2-c2cnccn2)cc1;RVEHZFOKUTZKBA-UHFFFAOYSA-N;325.39;3.39;52941286;;;CHEMBL1288098;MDCK;EMDCK;25;0;"from A to B, MDCK-MDR, <a href=https://www.ebi.ac.uk/chembl/assay_report_card/CHEMBL1291193/  target=_blank>CHEMBL1291193</a>";;;;;;;;;-4.65;;;;;;;;;;;;"Hom RK, Bowers S, Sealy JM, Truong AP, Probst GD, Neitzel ML, Neitz RJ, Fang L, Brogley L, Wu J, Konradi AW, Sham HL, Tóth G, Pan H, Yao N, Artis DR, Quinn K, Sauer JM, Powell K, Ren Z, Bard F, Yednock TA, Griswold-Prenner I.: Design and synthesis of disubstituted thiophene and thiazole based inhibitors of JNK. Bioorg Med Chem Lett, Volume 20 (24), 2010";ChEMBL
MM474927;MM474927;O=C(Cc1cccc2ncccc12)Nc1ccsc1-c1ncn[nH]1;MGGUVSLBKUKUGR-UHFFFAOYSA-N;335.39;3.26;46869877;;;CHEMBL1288099;MDCK;EMDCK;25;0;"from A to B, MDCK-MDR, <a href=https://www.ebi.ac.uk/chembl/assay_report_card/CHEMBL1291193/  target=_blank>CHEMBL1291193</a>";;;;;;;;;-5.22;;;;;;;;;;;;"Hom RK, Bowers S, Sealy JM, Truong AP, Probst GD, Neitzel ML, Neitz RJ, Fang L, Brogley L, Wu J, Konradi AW, Sham HL, Tóth G, Pan H, Yao N, Artis DR, Quinn K, Sauer JM, Powell K, Ren Z, Bard F, Yednock TA, Griswold-Prenner I.: Design and synthesis of disubstituted thiophene and thiazole based inhibitors of JNK. Bioorg Med Chem Lett, Volume 20 (24), 2010";ChEMBL
MM474928;MM474928;O=C(Cc1cccc2cnccc12)Nc1ccsc1-c1cscn1;FFPJBQIHDBPVHZ-UHFFFAOYSA-N;351.46;4.6;46868930;;;CHEMBL1288100;MDCK;EMDCK;25;0;"from A to B, MDCK-MDR, <a href=https://www.ebi.ac.uk/chembl/assay_report_card/CHEMBL1291193/  target=_blank>CHEMBL1291193</a>";;;;;;;;;-4.58;;;;;;;;;;;;"Hom RK, Bowers S, Sealy JM, Truong AP, Probst GD, Neitzel ML, Neitz RJ, Fang L, Brogley L, Wu J, Konradi AW, Sham HL, Tóth G, Pan H, Yao N, Artis DR, Quinn K, Sauer JM, Powell K, Ren Z, Bard F, Yednock TA, Griswold-Prenner I.: Design and synthesis of disubstituted thiophene and thiazole based inhibitors of JNK. Bioorg Med Chem Lett, Volume 20 (24), 2010";ChEMBL
MM474972;MM474972;COc1cc(CC(C)N)c(OC)cc1I;;321.16;2.2;9840090;;;CHEMBL134519;MDCK;EMDCK;25;0;"from A to B, MDCK-MDR, <a href=https://www.ebi.ac.uk/chembl/assay_report_card/CHEMBL861747/  target=_blank>CHEMBL861747</a>";;;;;;;;;-4.67;;;;;;;;;;;;"May JA, Dantanarayana AP, Zinke PW, McLaughlin MA, Sharif NA.: 1-((S)-2-aminopropyl)-1H-indazol-6-ol: a potent peripherally acting 5-HT2 receptor agonist with ocular hypotensive activity. J Med Chem, Volume 49 (1), 2006";ChEMBL
MM474972;MM474972;COc1cc(CC(C)N)c(OC)cc1I;;321.16;2.2;9840090;;;CHEMBL134519;MDCK;EMDCK;25;0;"from A to B, MDCK-MDR, <a href=https://www.ebi.ac.uk/chembl/assay_report_card/CHEMBL863567/  target=_blank>CHEMBL863567</a>";;;;;;;;;-4.9;;;;;;;;;;;;"May JA, Dantanarayana AP, Zinke PW, McLaughlin MA, Sharif NA.: 1-((S)-2-aminopropyl)-1H-indazol-6-ol: a potent peripherally acting 5-HT2 receptor agonist with ocular hypotensive activity. J Med Chem, Volume 49 (1), 2006";ChEMBL
"Cyclosporine A";MM00349;CC=CCC(C)C(O)C1C(=O)NC(CC)C(=O)N(C)CC(=O)N(C)C(CC(C)C)C(=O)NC(C(C)C)C(=O)N(C)C(CC(C)C)C(=O)NC(C)C(=O)NC(C)C(=O)N(C)C(CC(C)C)C(=O)N(C)C(CC(C)C)C(=O)N(C)C(C(C)C)C(=O)N1C;PMATZTZNYRCHOR-UHFFFAOYSA-N;1202.64;3.27;5284373;DB00091;;CHEMBL160;MDCK;EMDCK;25;0;"from A to B, MDCK-MDR, <a href=https://www.ebi.ac.uk/chembl/assay_report_card/CHEMBL1216203/  target=_blank>CHEMBL1216203</a>";;;;;;;;;-6.24;;;;;;;;;;;;"Hopkins S, Scorneaux B, Huang Z, Murray MG, Wring S, Smitley C, Harris R, Erdmann F, Fischer G, Ribeill Y.: SCY-635, a novel nonimmunosuppressive analog of cyclosporine that exhibits potent inhibition of hepatitis C virus RNA replication in vitro. Antimicrob Agents Chemother, Volume 54 (2), 2010";ChEMBL
"Cyclosporine A";MM00349;CC=CCC(C)C(O)C1C(=O)NC(CC)C(=O)N(C)CC(=O)N(C)C(CC(C)C)C(=O)NC(C(C)C)C(=O)N(C)C(CC(C)C)C(=O)NC(C)C(=O)NC(C)C(=O)N(C)C(CC(C)C)C(=O)N(C)C(CC(C)C)C(=O)N(C)C(C(C)C)C(=O)N1C;PMATZTZNYRCHOR-UHFFFAOYSA-N;1202.64;3.27;5284373;DB00091;;CHEMBL160;MDCK;EMDCK;25;0;"from A to B, MDCK-MDR, <a href=https://www.ebi.ac.uk/chembl/assay_report_card/CHEMBL1216205/  target=_blank>CHEMBL1216205</a>";;;;;;;;;-6.8;;;;;;;;;;;;"Hopkins S, Scorneaux B, Huang Z, Murray MG, Wring S, Smitley C, Harris R, Erdmann F, Fischer G, Ribeill Y.: SCY-635, a novel nonimmunosuppressive analog of cyclosporine that exhibits potent inhibition of hepatitis C virus RNA replication in vitro. Antimicrob Agents Chemother, Volume 54 (2), 2010";ChEMBL
MM474973;MM474973;CC(N)Cn1ncc2ccc(O)c(F)c21;;209.22;1.23;135399866;;;CHEMBL197653;MDCK;EMDCK;25;0;"from A to B, MDCK-MDR, <a href=https://www.ebi.ac.uk/chembl/assay_report_card/CHEMBL861747/  target=_blank>CHEMBL861747</a>";;;;;;;;;-5.99;;;;;;;;;;;;"May JA, Dantanarayana AP, Zinke PW, McLaughlin MA, Sharif NA.: 1-((S)-2-aminopropyl)-1H-indazol-6-ol: a potent peripherally acting 5-HT2 receptor agonist with ocular hypotensive activity. J Med Chem, Volume 49 (1), 2006";ChEMBL
MM474973;MM474973;CC(N)Cn1ncc2ccc(O)c(F)c21;;209.22;1.23;135399866;;;CHEMBL197653;MDCK;EMDCK;25;0;"from A to B, MDCK-MDR, <a href=https://www.ebi.ac.uk/chembl/assay_report_card/CHEMBL863567/  target=_blank>CHEMBL863567</a>";;;;;;;;;-5.95;;;;;;;;;;;;"May JA, Dantanarayana AP, Zinke PW, McLaughlin MA, Sharif NA.: 1-((S)-2-aminopropyl)-1H-indazol-6-ol: a potent peripherally acting 5-HT2 receptor agonist with ocular hypotensive activity. J Med Chem, Volume 49 (1), 2006";ChEMBL
MM474974;MM474974;NCCn1ncc2ccc(O)cc21;;177.21;0.7;135520431;;;CHEMBL199385;MDCK;EMDCK;25;0;"from A to B, MDCK-MDR, <a href=https://www.ebi.ac.uk/chembl/assay_report_card/CHEMBL861747/  target=_blank>CHEMBL861747</a>";;;;;;;;;-6.55;;;;;;;;;;;;"May JA, Dantanarayana AP, Zinke PW, McLaughlin MA, Sharif NA.: 1-((S)-2-aminopropyl)-1H-indazol-6-ol: a potent peripherally acting 5-HT2 receptor agonist with ocular hypotensive activity. J Med Chem, Volume 49 (1), 2006";ChEMBL
MM474974;MM474974;NCCn1ncc2ccc(O)cc21;;177.21;0.7;135520431;;;CHEMBL199385;MDCK;EMDCK;25;0;"from A to B, MDCK-MDR, <a href=https://www.ebi.ac.uk/chembl/assay_report_card/CHEMBL863567/  target=_blank>CHEMBL863567</a>";;;;;;;;;-6.19;;;;;;;;;;;;"May JA, Dantanarayana AP, Zinke PW, McLaughlin MA, Sharif NA.: 1-((S)-2-aminopropyl)-1H-indazol-6-ol: a potent peripherally acting 5-HT2 receptor agonist with ocular hypotensive activity. J Med Chem, Volume 49 (1), 2006";ChEMBL
MM474975;MM474975;COc1ccc2cnn(CC(C)N)c2c1;;205.26;1.39;11708275;;;CHEMBL199775;MDCK;EMDCK;25;0;"from A to B, MDCK-MDR, <a href=https://www.ebi.ac.uk/chembl/assay_report_card/CHEMBL861747/  target=_blank>CHEMBL861747</a>";;;;;;;;;-4.73;;;;;;;;;;;;"May JA, Dantanarayana AP, Zinke PW, McLaughlin MA, Sharif NA.: 1-((S)-2-aminopropyl)-1H-indazol-6-ol: a potent peripherally acting 5-HT2 receptor agonist with ocular hypotensive activity. J Med Chem, Volume 49 (1), 2006";ChEMBL
MM474975;MM474975;COc1ccc2cnn(CC(C)N)c2c1;;205.26;1.39;11708275;;;CHEMBL199775;MDCK;EMDCK;25;0;"from A to B, MDCK-MDR, <a href=https://www.ebi.ac.uk/chembl/assay_report_card/CHEMBL863567/  target=_blank>CHEMBL863567</a>";;;;;;;;;-4.85;;;;;;;;;;;;"May JA, Dantanarayana AP, Zinke PW, McLaughlin MA, Sharif NA.: 1-((S)-2-aminopropyl)-1H-indazol-6-ol: a potent peripherally acting 5-HT2 receptor agonist with ocular hypotensive activity. J Med Chem, Volume 49 (1), 2006";ChEMBL
MM474976;MM474976;Cc1c(O)ccc2cnn(CC(C)N)c12;;205.26;1.4;135414348;;;CHEMBL200104;MDCK;EMDCK;25;0;"from A to B, MDCK-MDR, <a href=https://www.ebi.ac.uk/chembl/assay_report_card/CHEMBL861747/  target=_blank>CHEMBL861747</a>";;;;;;;;;-5.69;;;;;;;;;;;;"May JA, Dantanarayana AP, Zinke PW, McLaughlin MA, Sharif NA.: 1-((S)-2-aminopropyl)-1H-indazol-6-ol: a potent peripherally acting 5-HT2 receptor agonist with ocular hypotensive activity. J Med Chem, Volume 49 (1), 2006";ChEMBL
MM474976;MM474976;Cc1c(O)ccc2cnn(CC(C)N)c12;;205.26;1.4;135414348;;;CHEMBL200104;MDCK;EMDCK;25;0;"from A to B, MDCK-MDR, <a href=https://www.ebi.ac.uk/chembl/assay_report_card/CHEMBL863567/  target=_blank>CHEMBL863567</a>";;;;;;;;;-5.6;;;;;;;;;;;;"May JA, Dantanarayana AP, Zinke PW, McLaughlin MA, Sharif NA.: 1-((S)-2-aminopropyl)-1H-indazol-6-ol: a potent peripherally acting 5-HT2 receptor agonist with ocular hypotensive activity. J Med Chem, Volume 49 (1), 2006";ChEMBL
MM474977;MM474977;CC(N)Cn1ncc2ccc(O)c(I)c21;;317.13;1.69;135427931;;;CHEMBL201132;MDCK;EMDCK;25;0;"from A to B, MDCK-MDR, <a href=https://www.ebi.ac.uk/chembl/assay_report_card/CHEMBL861747/  target=_blank>CHEMBL861747</a>";;;;;;;;;-5.78;;;;;;;;;;;;"May JA, Dantanarayana AP, Zinke PW, McLaughlin MA, Sharif NA.: 1-((S)-2-aminopropyl)-1H-indazol-6-ol: a potent peripherally acting 5-HT2 receptor agonist with ocular hypotensive activity. J Med Chem, Volume 49 (1), 2006";ChEMBL
MM474977;MM474977;CC(N)Cn1ncc2ccc(O)c(I)c21;;317.13;1.69;135427931;;;CHEMBL201132;MDCK;EMDCK;25;0;"from A to B, MDCK-MDR, <a href=https://www.ebi.ac.uk/chembl/assay_report_card/CHEMBL863567/  target=_blank>CHEMBL863567</a>";;;;;;;;;-5.91;;;;;;;;;;;;"May JA, Dantanarayana AP, Zinke PW, McLaughlin MA, Sharif NA.: 1-((S)-2-aminopropyl)-1H-indazol-6-ol: a potent peripherally acting 5-HT2 receptor agonist with ocular hypotensive activity. J Med Chem, Volume 49 (1), 2006";ChEMBL
MM474998;MM474998;CC(=O)OC12COC1CC(O)C1(C)C(=O)C(OC(=O)NCC(=O)N(C)C)C3=C(C)C(OC(=O)C(O)C(NC(=O)c4ccccc4)c4ccccc4)CC(O)(C(OC(=O)c4ccccc4)C21)C3(C)C;;940.01;2.99;44432103;;;CHEMBL232772;MDCK;EMDCK;25;0;"from A to B, MDCK-MDR, <a href=https://www.ebi.ac.uk/chembl/assay_report_card/CHEMBL896322/  target=_blank>CHEMBL896322</a>";;;;;;;;;-7.05;;;;;;;;;;;;"Ballatore C, Hyde E, Deiches RF, Lee VM, Trojanowski JQ, Huryn D, Smith AB.: Paclitaxel C-10 carbamates: potential candidates for the treatment of neurodegenerative tauopathies. Bioorg Med Chem Lett, Volume 17 (13), 2007";ChEMBL
MM474999;MM474999;CC(=O)OC12COC1CC(O)C1(C)C(=O)C(OC(=O)CCC(=O)O)C3=C(C)C(OC(=O)C(O)C(NC(=O)c4ccccc4)c4ccccc4)CC(O)(C(OC(=O)c4ccccc4)C21)C3(C)C;;911.95;3.58;15942416;;;CHEMBL238121;MDCK;EMDCK;25;0;"from A to B, MDCK-MDR, <a href=https://www.ebi.ac.uk/chembl/assay_report_card/CHEMBL896322/  target=_blank>CHEMBL896322</a>";;;;;;;;;-7.1;;;;;;;;;;;;"Ballatore C, Hyde E, Deiches RF, Lee VM, Trojanowski JQ, Huryn D, Smith AB.: Paclitaxel C-10 carbamates: potential candidates for the treatment of neurodegenerative tauopathies. Bioorg Med Chem Lett, Volume 17 (13), 2007";ChEMBL
MM474771;MM474771;CS(=O)(=O)Nc1c(Cl)ccc2c1CCCC2c1ncc[nH]1;;325.82;2.9;25066019;;;CHEMBL256982;MDCK;EMDCK;25;0;"from A to B, MDCK-MDR, <a href=https://www.ebi.ac.uk/chembl/assay_report_card/CHEMBL1015851/  target=_blank>CHEMBL1015851</a>";;;;;;;;;-5.15;;;;;;;;;;;;"Whitlock GA, Brennan PE, Roberts LR, Stobie A.: Potent and selective alpha1A adrenoceptor partial agonists--novel imidazole frameworks. Bioorg Med Chem Lett, Volume 19 (11), 2009";ChEMBL
MM475000;MM475000;CC(=O)OC12COC1CC(O)C1(C)C(=O)C(OC(=O)N3CCOCC3)C3=C(C)C(OC(=O)C(O)C(NC(=O)c4ccccc4)c4ccccc4)CC(O)(C(OC(=O)c4ccccc4)C21)C3(C)C;;925;3.64;44432116;;;CHEMBL269298;MDCK;EMDCK;25;0;"from A to B, MDCK-MDR, <a href=https://www.ebi.ac.uk/chembl/assay_report_card/CHEMBL896322/  target=_blank>CHEMBL896322</a>";;;;;;;;;-6.77;;;;;;;;;;;;"Ballatore C, Hyde E, Deiches RF, Lee VM, Trojanowski JQ, Huryn D, Smith AB.: Paclitaxel C-10 carbamates: potential candidates for the treatment of neurodegenerative tauopathies. Bioorg Med Chem Lett, Volume 17 (13), 2007";ChEMBL
MM475001;MM475001;CC(=O)OC12COC1CC(O)C1(C)C(=O)C(O)C3=C(C)C(OC(=O)C(O)C(NC(=O)c4ccccc4)c4ccccc4)CC(O)(C(OC(=O)c4ccccc4)C21)C3(C)C;;811.88;3.16;155831;;;CHEMBL302324;MDCK;EMDCK;25;0;"from A to B, MDCK-MDR, <a href=https://www.ebi.ac.uk/chembl/assay_report_card/CHEMBL896322/  target=_blank>CHEMBL896322</a>";;;;;;;;;-6.89;;;;;;;;;;;;"Ballatore C, Hyde E, Deiches RF, Lee VM, Trojanowski JQ, Huryn D, Smith AB.: Paclitaxel C-10 carbamates: potential candidates for the treatment of neurodegenerative tauopathies. Bioorg Med Chem Lett, Volume 17 (13), 2007";ChEMBL
MM474978;MM474978;C[C@H](N)Cn1ncc2ccc(O)cc21;;191.23;1.09;;;;CHEMBL371300;MDCK;EMDCK;25;0;"from A to B, MDCK-MDR, <a href=https://www.ebi.ac.uk/chembl/assay_report_card/CHEMBL861747/  target=_blank>CHEMBL861747</a>";;;;;;;;;-6.15;;;;;;;;;;;;"May JA, Dantanarayana AP, Zinke PW, McLaughlin MA, Sharif NA.: 1-((S)-2-aminopropyl)-1H-indazol-6-ol: a potent peripherally acting 5-HT2 receptor agonist with ocular hypotensive activity. J Med Chem, Volume 49 (1), 2006";ChEMBL
MM474978;MM474978;C[C@H](N)Cn1ncc2ccc(O)cc21;;191.23;1.09;;;;CHEMBL371300;MDCK;EMDCK;25;0;"from A to B, MDCK-MDR, <a href=https://www.ebi.ac.uk/chembl/assay_report_card/CHEMBL863567/  target=_blank>CHEMBL863567</a>";;;;;;;;;-6.12;;;;;;;;;;;;"May JA, Dantanarayana AP, Zinke PW, McLaughlin MA, Sharif NA.: 1-((S)-2-aminopropyl)-1H-indazol-6-ol: a potent peripherally acting 5-HT2 receptor agonist with ocular hypotensive activity. J Med Chem, Volume 49 (1), 2006";ChEMBL
MM474979;MM474979;CC(N)Cn1ncc2ccc(O)c(Cl)c21;;225.68;1.74;135509961;;;CHEMBL373245;MDCK;EMDCK;25;0;"from A to B, MDCK-MDR, <a href=https://www.ebi.ac.uk/chembl/assay_report_card/CHEMBL861747/  target=_blank>CHEMBL861747</a>";;;;;;;;;-5.87;;;;;;;;;;;;"May JA, Dantanarayana AP, Zinke PW, McLaughlin MA, Sharif NA.: 1-((S)-2-aminopropyl)-1H-indazol-6-ol: a potent peripherally acting 5-HT2 receptor agonist with ocular hypotensive activity. J Med Chem, Volume 49 (1), 2006";ChEMBL
MM474979;MM474979;CC(N)Cn1ncc2ccc(O)c(Cl)c21;;225.68;1.74;135509961;;;CHEMBL373245;MDCK;EMDCK;25;0;"from A to B, MDCK-MDR, <a href=https://www.ebi.ac.uk/chembl/assay_report_card/CHEMBL863567/  target=_blank>CHEMBL863567</a>";;;;;;;;;-5.78;;;;;;;;;;;;"May JA, Dantanarayana AP, Zinke PW, McLaughlin MA, Sharif NA.: 1-((S)-2-aminopropyl)-1H-indazol-6-ol: a potent peripherally acting 5-HT2 receptor agonist with ocular hypotensive activity. J Med Chem, Volume 49 (1), 2006";ChEMBL
MM475002;MM475002;CC(=O)OC12COC1CC(O)C1(C)C(=O)C(OC(=O)NCC(=O)O)C3=C(C)C(OC(=O)C(O)C(NC(=O)c4ccccc4)c4ccccc4)CC(O)(C(OC(=O)c4ccccc4)C21)C3(C)C;;912.94;2.98;23628248;;;CHEMBL391337;MDCK;EMDCK;25;0;"from A to B, MDCK-MDR, <a href=https://www.ebi.ac.uk/chembl/assay_report_card/CHEMBL896322/  target=_blank>CHEMBL896322</a>";;;;;;;;;-7.05;;;;;;;;;;;;"Ballatore C, Hyde E, Deiches RF, Lee VM, Trojanowski JQ, Huryn D, Smith AB.: Paclitaxel C-10 carbamates: potential candidates for the treatment of neurodegenerative tauopathies. Bioorg Med Chem Lett, Volume 17 (13), 2007";ChEMBL
MM475003;MM475003;CC(=O)OC1C(=O)C2(C)C(OC(=O)NCC(=O)O)CC3OCC3(OC(C)=O)C2C(OC(=O)c2ccccc2)C2(O)CC(OC(=O)C(O)C(NC(=O)c3ccccc3)c3ccccc3)C(C)=C1C2(C)C;;954.98;3.55;44432093;;;CHEMBL392408;MDCK;EMDCK;25;0;"from A to B, MDCK-MDR, <a href=https://www.ebi.ac.uk/chembl/assay_report_card/CHEMBL896322/  target=_blank>CHEMBL896322</a>";;;;;;;;;-7.15;;;;;;;;;;;;"Ballatore C, Hyde E, Deiches RF, Lee VM, Trojanowski JQ, Huryn D, Smith AB.: Paclitaxel C-10 carbamates: potential candidates for the treatment of neurodegenerative tauopathies. Bioorg Med Chem Lett, Volume 17 (13), 2007";ChEMBL
MM475004;MM475004;CC(=O)OC12COC1CC(O)C1(C)C(=O)C(OC(=O)N(C)CC(=O)O)C3=C(C)C(OC(=O)C(O)C(NC(=O)c4ccccc4)c4ccccc4)CC(O)(C(OC(=O)c4ccccc4)C21)C3(C)C;;926.97;3.33;44432095;;;CHEMBL392409;MDCK;EMDCK;25;0;"from A to B, MDCK-MDR, <a href=https://www.ebi.ac.uk/chembl/assay_report_card/CHEMBL896322/  target=_blank>CHEMBL896322</a>";;;;;;;;;-7.22;;;;;;;;;;;;"Ballatore C, Hyde E, Deiches RF, Lee VM, Trojanowski JQ, Huryn D, Smith AB.: Paclitaxel C-10 carbamates: potential candidates for the treatment of neurodegenerative tauopathies. Bioorg Med Chem Lett, Volume 17 (13), 2007";ChEMBL
MM475005;MM475005;CC(=O)OC12COC1CC(O)C1(C)C(=O)C(OC(=O)N(C)C(C)(C)C(=O)O)C3=C(C)C(OC(=O)C(O)C(NC(=O)c4ccccc4)c4ccccc4)CC(O)(C(OC(=O)c4ccccc4)C21)C3(C)C;;955.02;4.1;44432097;;;CHEMBL412798;MDCK;EMDCK;25;0;"from A to B, MDCK-MDR, <a href=https://www.ebi.ac.uk/chembl/assay_report_card/CHEMBL896322/  target=_blank>CHEMBL896322</a>";;;;;;;;;-7.3;;;;;;;;;;;;"Ballatore C, Hyde E, Deiches RF, Lee VM, Trojanowski JQ, Huryn D, Smith AB.: Paclitaxel C-10 carbamates: potential candidates for the treatment of neurodegenerative tauopathies. Bioorg Med Chem Lett, Volume 17 (13), 2007";ChEMBL
MM474842;MM474842;OC(c1cc(C(F)(F)F)nc2c(C(F)(F)F)cccc12)C1CCCCN1;XEEQGYMUWCZPDN-UHFFFAOYSA-N;378.32;4.45;40692;;;CHEMBL172;MDCK;EMDCK;25;0;"from A to B, MDCK-MDR, <a href=https://www.ebi.ac.uk/chembl/assay_report_card/CHEMBL1073110/  target=_blank>CHEMBL1073110</a>";;;;;;;;;-5.03;;;;;;;;;;;;"Milner E, McCalmont W, Bhonsle J, Caridha D, Carroll D, Gardner S, Gerena L, Gettayacamin M, Lanteri C, Luong T, Melendez V, Moon J, Roncal N, Sousa J, Tungtaeng A, Wipf P, Dow G.: Structure-activity relationships amongst 4-position quinoline methanol antimalarials that inhibit the growth of drug sensitive and resistant strains of Plasmodium falciparum. Bioorg Med Chem Lett, Volume 20 (4), 2010";ChEMBL
Paclitaxel;MM00400;CC(=O)OC1C(=O)C2(C)C(O)CC3OCC3(OC(C)=O)C2C(OC(=O)c2ccccc2)C2(O)CC(OC(=O)C(O)C(NC(=O)c3ccccc3)c3ccccc3)C(C)=C1C2(C)C;RCINICONZNJXQF-UHFFFAOYSA-N;853.92;3.74;36314;DB01229;TA1;CHEMBL428647;MDCK;EMDCK;25;0;"from A to B, MDCK-MDR, <a href=https://www.ebi.ac.uk/chembl/assay_report_card/CHEMBL896322/  target=_blank>CHEMBL896322</a>";;;;;;;;;-6.7;;;;;;;;;;;;"Ballatore C, Hyde E, Deiches RF, Lee VM, Trojanowski JQ, Huryn D, Smith AB.: Paclitaxel C-10 carbamates: potential candidates for the treatment of neurodegenerative tauopathies. Bioorg Med Chem Lett, Volume 17 (13), 2007";ChEMBL
MM474796;MM474796;O=S(=O)(c1ccc2c(c1)CCNCC2)N1CCC(Oc2ccccc2Cl)C1;;406.94;2.87;44573162;;;CHEMBL448971;MDCK;EMDCK;25;0;"from A to B, MDCK-MDR, <a href=https://www.ebi.ac.uk/chembl/assay_report_card/CHEMBL1030734/  target=_blank>CHEMBL1030734</a>";;;;;;;;;-4.82;;;;;;;;;;;;"Fish PV, Brown AD, Evrard E, Roberts LR.: 7-Sulfonamido-3-benzazepines as potent and selective 5-HT2C receptor agonists: hit-to-lead optimization. Bioorg Med Chem Lett, Volume 19 (7), 2009";ChEMBL
MM475095;MM475095;CNC(=O)c1cccc(-c2ccccc2C2Cc3nccn3C2)c1;;317.39;3.25;44574106;;;CHEMBL466012;MDCK;EMDCK;25;0;"from A to B, MDCK-MDR, <a href=https://www.ebi.ac.uk/chembl/assay_report_card/CHEMBL970455/  target=_blank>CHEMBL970455</a>";;;;;;;;;-4.8;;;;;;;;;;;;"Roberts LR, Fish PV, Ian Storer R, Whitlock GA.: 6,7-Dihydro-5H-pyrrolo[1,2-a] imidazoles as potent and selective alpha1A adrenoceptor partial agonists. Bioorg Med Chem Lett, Volume 19 (11), 2009";ChEMBL
MM475096;MM475096;N#Cc1ccccc1[C@@H]1Cc2nccn2C1;;209.25;2.09;;;;CHEMBL466046;MDCK;EMDCK;25;0;"from A to B, MDCK-MDR, <a href=https://www.ebi.ac.uk/chembl/assay_report_card/CHEMBL970455/  target=_blank>CHEMBL970455</a>";;;;;;;;;-4.46;;;;;;;;;;;;"Roberts LR, Fish PV, Ian Storer R, Whitlock GA.: 6,7-Dihydro-5H-pyrrolo[1,2-a] imidazoles as potent and selective alpha1A adrenoceptor partial agonists. Bioorg Med Chem Lett, Volume 19 (11), 2009";ChEMBL
MM472929;MM472929;N#Cc1ccccc1C1Cc2nccn2C1;KMOFNRDXTFJLAO-UHFFFAOYSA-N;209.25;2.09;44219719;;;CHEMBL467916;MDCK;EMDCK;25;0;"from A to B, MDCK-MDR, <a href=https://www.ebi.ac.uk/chembl/assay_report_card/CHEMBL1015851/  target=_blank>CHEMBL1015851</a>";;;;;;;;;-4.47;;;;;;;;;;;;"Whitlock GA, Brennan PE, Roberts LR, Stobie A.: Potent and selective alpha1A adrenoceptor partial agonists--novel imidazole frameworks. Bioorg Med Chem Lett, Volume 19 (11), 2009";ChEMBL
MM475097;MM475097;c1cncc(-c2ccccc2C2Cc3nccn3C2)c1;;261.33;3.29;44574078;;;CHEMBL468711;MDCK;EMDCK;25;0;"from A to B, MDCK-MDR, <a href=https://www.ebi.ac.uk/chembl/assay_report_card/CHEMBL970455/  target=_blank>CHEMBL970455</a>";;;;;;;;;-4.36;;;;;;;;;;;;"Roberts LR, Fish PV, Ian Storer R, Whitlock GA.: 6,7-Dihydro-5H-pyrrolo[1,2-a] imidazoles as potent and selective alpha1A adrenoceptor partial agonists. Bioorg Med Chem Lett, Volume 19 (11), 2009";ChEMBL
MM475115;MM475115;CC(C)C(=O)N(Cc1ccccc1-c1ccccc1)[C@H]1CCNC1;;322.45;3.7;;;;CHEMBL476116;MDCK;EMDCK;25;0;"from A to B, MDCK-MDR, <a href=https://www.ebi.ac.uk/chembl/assay_report_card/CHEMBL993587/  target=_blank>CHEMBL993587</a>";;;;;;;;;-4.96;;;;;;;;;;;;"Fish PV, Barta NS, Gray DL, Ryckmans T, Stobie A, Wakenhut F, Whitlock GA.: Derivatives of (3S)-N-(biphenyl-2-ylmethyl)pyrrolidin-3-amine as selective noradrenaline reuptake inhibitors: Reducing P-gp mediated efflux by modulation of H-bond acceptor capacity. Bioorg Med Chem Lett, Volume 18 (15), 2008";ChEMBL
MM475116;MM475116;CS(=O)(=O)N(Cc1ccccc1-c1ccccc1)C1CCNC1;;330.45;2.48;44578266;;;CHEMBL476312;MDCK;EMDCK;25;0;"from A to B, MDCK-MDR, <a href=https://www.ebi.ac.uk/chembl/assay_report_card/CHEMBL993587/  target=_blank>CHEMBL993587</a>";;;;;;;;;-5;;;;;;;;;;;;"Fish PV, Barta NS, Gray DL, Ryckmans T, Stobie A, Wakenhut F, Whitlock GA.: Derivatives of (3S)-N-(biphenyl-2-ylmethyl)pyrrolidin-3-amine as selective noradrenaline reuptake inhibitors: Reducing P-gp mediated efflux by modulation of H-bond acceptor capacity. Bioorg Med Chem Lett, Volume 18 (15), 2008";ChEMBL
MM474863;MM474863;CC(C)C(=O)N(Cc1cccc(Cl)c1Cl)[C@H]1CCNC1;;315.24;3.34;;;;CHEMBL476954;MDCK;EMDCK;25;0;"from A to B, MDCK-MDR, <a href=https://www.ebi.ac.uk/chembl/assay_report_card/CHEMBL1112306/  target=_blank>CHEMBL1112306</a>";;;;;;;;;-4.82;;;;;;;;;;;;"Wakenhut F, Allan GA, Fish PV, Fray MJ, Harrison AC, McCoy R, Phillips SC, Ryckmans T, Stobie A, Westbrook D, Westbrook SL, Whitlock GA.: N-[(3S)-Pyrrolidin-3-yl]benzamides as novel dual serotonin and noradrenaline reuptake inhibitors: impact of small structural modifications on P-gp recognition and CNS penetration. Bioorg Med Chem Lett, Volume 19 (17), 2009";ChEMBL
MM475117;MM475117;O=C(N1CCCC1)N(Cc1ccccc1-c1ccccc1)C1CCNC1;;349.48;3.73;44578265;;;CHEMBL477148;MDCK;EMDCK;25;0;"from A to B, MDCK-MDR, <a href=https://www.ebi.ac.uk/chembl/assay_report_card/CHEMBL993587/  target=_blank>CHEMBL993587</a>";;;;;;;;;-5.7;;;;;;;;;;;;"Fish PV, Barta NS, Gray DL, Ryckmans T, Stobie A, Wakenhut F, Whitlock GA.: Derivatives of (3S)-N-(biphenyl-2-ylmethyl)pyrrolidin-3-amine as selective noradrenaline reuptake inhibitors: Reducing P-gp mediated efflux by modulation of H-bond acceptor capacity. Bioorg Med Chem Lett, Volume 18 (15), 2008";ChEMBL
MM475118;MM475118;CCOC(=O)N(Cc1ccccc1-c1ccccc1)C1CCNC1;;324.42;3.67;24962988;;;CHEMBL478834;MDCK;EMDCK;25;0;"from A to B, MDCK-MDR, <a href=https://www.ebi.ac.uk/chembl/assay_report_card/CHEMBL993587/  target=_blank>CHEMBL993587</a>";;;;;;;;;-4.66;;;;;;;;;;;;"Fish PV, Barta NS, Gray DL, Ryckmans T, Stobie A, Wakenhut F, Whitlock GA.: Derivatives of (3S)-N-(biphenyl-2-ylmethyl)pyrrolidin-3-amine as selective noradrenaline reuptake inhibitors: Reducing P-gp mediated efflux by modulation of H-bond acceptor capacity. Bioorg Med Chem Lett, Volume 18 (15), 2008";ChEMBL
MM474772;MM474772;COCc1c(Cl)ccc2c1CCC2c1ncc[nH]1;;262.74;3.29;44593557;;;CHEMBL481322;MDCK;EMDCK;25;0;"from A to B, MDCK-MDR, <a href=https://www.ebi.ac.uk/chembl/assay_report_card/CHEMBL1015851/  target=_blank>CHEMBL1015851</a>";;;;;;;;;-4.4;;;;;;;;;;;;"Whitlock GA, Brennan PE, Roberts LR, Stobie A.: Potent and selective alpha1A adrenoceptor partial agonists--novel imidazole frameworks. Bioorg Med Chem Lett, Volume 19 (11), 2009";ChEMBL
MM474772;MM474772;COCc1c(Cl)ccc2c1CCC2c1ncc[nH]1;;262.74;3.29;44593557;;;CHEMBL481322;MDCK;EMDCK;25;0;"from A to B, MDCK-MDR, <a href=https://www.ebi.ac.uk/chembl/assay_report_card/CHEMBL970455/  target=_blank>CHEMBL970455</a>";;;;;;;;;-4.4;;;;;;;;;;;;"Roberts LR, Fish PV, Ian Storer R, Whitlock GA.: 6,7-Dihydro-5H-pyrrolo[1,2-a] imidazoles as potent and selective alpha1A adrenoceptor partial agonists. Bioorg Med Chem Lett, Volume 19 (11), 2009";ChEMBL
MM475101;MM475101;CN(Cc1ccc(C#N)cc1)C(=O)CNC(=O)c1nc2ccccc2n1Cc1ccccc1;FLWASHWEIGSTCQ-UHFFFAOYSA-N;437.5;3.34;44579942;;;CHEMBL482628;MDCK;EMDCK;25;0;"from A to B, MDCK-MDR, <a href=https://www.ebi.ac.uk/chembl/assay_report_card/CHEMBL982608/  target=_blank>CHEMBL982608</a>";;;;;;;;;-5.15;;;;;;;;;;;;"Guo Q, Chandrasekhar J, Ihle D, Wustrow DJ, Chenard BL, Krause JE, Hutchison A, Alderman D, Cheng C, Cortright D, Broom D, Kershaw MT, Simmermacher-Mayer J, Peng Y, Hodgetts KJ.: 1-Benzylbenzimidazoles: the discovery of a novel series of bradykinin B(1) receptor antagonists. Bioorg Med Chem Lett, Volume 18 (18), 2008";ChEMBL
MM475102;MM475102;CN(Cc1ccc(C2=NCCN2)cc1)C(=O)CNC(=O)c1nc2ccccc2n1Cc1ccccc1;;480.57;2.82;44579795;;;CHEMBL490201;MDCK;EMDCK;25;0;"from A to B, MDCK-MDR, <a href=https://www.ebi.ac.uk/chembl/assay_report_card/CHEMBL982608/  target=_blank>CHEMBL982608</a>";;;;;;;;;-6;;;;;;;;;;;;"Guo Q, Chandrasekhar J, Ihle D, Wustrow DJ, Chenard BL, Krause JE, Hutchison A, Alderman D, Cheng C, Cortright D, Broom D, Kershaw MT, Simmermacher-Mayer J, Peng Y, Hodgetts KJ.: 1-Benzylbenzimidazoles: the discovery of a novel series of bradykinin B(1) receptor antagonists. Bioorg Med Chem Lett, Volume 18 (18), 2008";ChEMBL
MM475102;MM475102;CN(Cc1ccc(C2=NCCN2)cc1)C(=O)CNC(=O)c1nc2ccccc2n1Cc1ccccc1;;480.57;2.82;44579795;;;CHEMBL490201;MDCK;EMDCK;25;0;"from A to B, MDCK-MDR, <a href=https://www.ebi.ac.uk/chembl/assay_report_card/CHEMBL982613/  target=_blank>CHEMBL982613</a>";;;;;;;;;-4.96;;;;;;;;;;;;"Guo Q, Chandrasekhar J, Ihle D, Wustrow DJ, Chenard BL, Krause JE, Hutchison A, Alderman D, Cheng C, Cortright D, Broom D, Kershaw MT, Simmermacher-Mayer J, Peng Y, Hodgetts KJ.: 1-Benzylbenzimidazoles: the discovery of a novel series of bradykinin B(1) receptor antagonists. Bioorg Med Chem Lett, Volume 18 (18), 2008";ChEMBL
MM474797;MM474797;O=S(=O)(c1ccc2c(c1)CCNCC2)N1CCC(Oc2ccccc2Cl)CC1;;420.96;3.26;44225654;;;CHEMBL492301;MDCK;EMDCK;25;0;"from A to B, MDCK-MDR, <a href=https://www.ebi.ac.uk/chembl/assay_report_card/CHEMBL1030734/  target=_blank>CHEMBL1030734</a>";;;;;;;;;-4.82;;;;;;;;;;;;"Fish PV, Brown AD, Evrard E, Roberts LR.: 7-Sulfonamido-3-benzazepines as potent and selective 5-HT2C receptor agonists: hit-to-lead optimization. Bioorg Med Chem Lett, Volume 19 (7), 2009";ChEMBL
MM474798;MM474798;CN(CC1COc2ccccc21)S(=O)(=O)c1ccc2c(c1)CCNCC2;;372.49;2.17;42601404;;;CHEMBL492556;MDCK;EMDCK;25;0;"from A to B, MDCK-MDR, <a href=https://www.ebi.ac.uk/chembl/assay_report_card/CHEMBL1030734/  target=_blank>CHEMBL1030734</a>";;;;;;;;;-4.74;;;;;;;;;;;;"Fish PV, Brown AD, Evrard E, Roberts LR.: 7-Sulfonamido-3-benzazepines as potent and selective 5-HT2C receptor agonists: hit-to-lead optimization. Bioorg Med Chem Lett, Volume 19 (7), 2009";ChEMBL
MM474799;MM474799;O=S(=O)(c1ccc2c(c1)CCNCC2)N1CC(Oc2cccc(Cl)c2)C1;;392.91;2.48;44573160;;;CHEMBL493757;MDCK;EMDCK;25;0;"from A to B, MDCK-MDR, <a href=https://www.ebi.ac.uk/chembl/assay_report_card/CHEMBL1030734/  target=_blank>CHEMBL1030734</a>";;;;;;;;;-4.92;;;;;;;;;;;;"Fish PV, Brown AD, Evrard E, Roberts LR.: 7-Sulfonamido-3-benzazepines as potent and selective 5-HT2C receptor agonists: hit-to-lead optimization. Bioorg Med Chem Lett, Volume 19 (7), 2009";ChEMBL
MM474800;MM474800;CN(Cc1ccccc1)S(=O)(=O)c1ccc2c(c1)CCNCC2;;330.45;2.2;44573219;;;CHEMBL493950;MDCK;EMDCK;25;0;"from A to B, MDCK-MDR, <a href=https://www.ebi.ac.uk/chembl/assay_report_card/CHEMBL1030734/  target=_blank>CHEMBL1030734</a>";;;;;;;;;-4.54;;;;;;;;;;;;"Fish PV, Brown AD, Evrard E, Roberts LR.: 7-Sulfonamido-3-benzazepines as potent and selective 5-HT2C receptor agonists: hit-to-lead optimization. Bioorg Med Chem Lett, Volume 19 (7), 2009";ChEMBL
MM475098;MM475098;Fc1ccc(-c2cncnc2)c(C2Cc3nccn3C2)c1;;280.31;2.82;44219718;;;CHEMBL506744;MDCK;EMDCK;25;0;"from A to B, MDCK-MDR, <a href=https://www.ebi.ac.uk/chembl/assay_report_card/CHEMBL970455/  target=_blank>CHEMBL970455</a>";;;;;;;;;-4.47;;;;;;;;;;;;"Roberts LR, Fish PV, Ian Storer R, Whitlock GA.: 6,7-Dihydro-5H-pyrrolo[1,2-a] imidazoles as potent and selective alpha1A adrenoceptor partial agonists. Bioorg Med Chem Lett, Volume 19 (11), 2009";ChEMBL
MM475099;MM475099;CS(=O)(=O)Nc1cccc(-c2ccccc2C2Cc3nccn3C2)c1;;353.45;3.26;44574104;;;CHEMBL513871;MDCK;EMDCK;25;0;"from A to B, MDCK-MDR, <a href=https://www.ebi.ac.uk/chembl/assay_report_card/CHEMBL970455/  target=_blank>CHEMBL970455</a>";;;;;;;;;-4.96;;;;;;;;;;;;"Roberts LR, Fish PV, Ian Storer R, Whitlock GA.: 6,7-Dihydro-5H-pyrrolo[1,2-a] imidazoles as potent and selective alpha1A adrenoceptor partial agonists. Bioorg Med Chem Lett, Volume 19 (11), 2009";ChEMBL
MM475119;MM475119;CN(C)S(=O)(=O)N(Cc1ccccc1-c1ccccc1)C1CCNC1;;359.5;2.32;44578319;;;CHEMBL514232;MDCK;EMDCK;25;0;"from A to B, MDCK-MDR, <a href=https://www.ebi.ac.uk/chembl/assay_report_card/CHEMBL993587/  target=_blank>CHEMBL993587</a>";;;;;;;;;-4.77;;;;;;;;;;;;"Fish PV, Barta NS, Gray DL, Ryckmans T, Stobie A, Wakenhut F, Whitlock GA.: Derivatives of (3S)-N-(biphenyl-2-ylmethyl)pyrrolidin-3-amine as selective noradrenaline reuptake inhibitors: Reducing P-gp mediated efflux by modulation of H-bond acceptor capacity. Bioorg Med Chem Lett, Volume 18 (15), 2008";ChEMBL
MM474801;MM474801;O=S(=O)(c1ccccc1)c1ccc2c(c1)CCNCC2;;287.38;2.21;42601405;;;CHEMBL521805;MDCK;EMDCK;25;0;"from A to B, MDCK-MDR, <a href=https://www.ebi.ac.uk/chembl/assay_report_card/CHEMBL1030734/  target=_blank>CHEMBL1030734</a>";;;;;;;;;-4.68;;;;;;;;;;;;"Fish PV, Brown AD, Evrard E, Roberts LR.: 7-Sulfonamido-3-benzazepines as potent and selective 5-HT2C receptor agonists: hit-to-lead optimization. Bioorg Med Chem Lett, Volume 19 (7), 2009";ChEMBL
MM475103;MM475103;CCN(CC(=O)N1CCN(C2CCN(C)CC2)CC1)C(=O)c1nc2ccccc2n1Cc1ccccc1;HBBWAOOGJLRAAQ-UHFFFAOYSA-N;502.66;2.79;44579828;;;CHEMBL524126;MDCK;EMDCK;25;0;"from A to B, MDCK-MDR, <a href=https://www.ebi.ac.uk/chembl/assay_report_card/CHEMBL982608/  target=_blank>CHEMBL982608</a>";;;;;;;;;-6.22;;;;;;;;;;;;"Guo Q, Chandrasekhar J, Ihle D, Wustrow DJ, Chenard BL, Krause JE, Hutchison A, Alderman D, Cheng C, Cortright D, Broom D, Kershaw MT, Simmermacher-Mayer J, Peng Y, Hodgetts KJ.: 1-Benzylbenzimidazoles: the discovery of a novel series of bradykinin B(1) receptor antagonists. Bioorg Med Chem Lett, Volume 18 (18), 2008";ChEMBL
MM474839;MM474839;O=C(c1ccccc1C(F)(F)F)N(CC1CCC1)[C@H]1CCNC1;;326.36;3.31;;;;CHEMBL552338;MDCK;EMDCK;25;0;"from A to B, MDCK-MDR, <a href=https://www.ebi.ac.uk/chembl/assay_report_card/CHEMBL1062507/  target=_blank>CHEMBL1062507</a>";;;;;;;;;-4.96;;;;;;;;;;;;"Fish PV, Wakenhut F, Ryckmans T, Stobie A.: Design, synthesis and evaluation of N-[(3S)-pyrrolidin-3-yl]benzamides as selective noradrenaline reuptake inhibitors: CNS penetration in a more polar template. Bioorg Med Chem Lett, Volume 19 (16), 2009";ChEMBL
MM474819;MM474819;OCc1cccc(-c2ccc(-c3cc(N4CCOCC4)nc(N4CCOCC4)n3)o2)c1;BXRMHHSERKBUGT-UHFFFAOYSA-N;422.49;2.57;;;;;MDCK;EMDCK;25;0;"from A to B, MDCK-MDR, <a href=https://www.ebi.ac.uk/chembl/assay_report_card/CHEMBL1049653/  target=_blank>CHEMBL1049653</a>";;;;;;;;;-4.48;;;;;;;;;;;;"Menear KA, Gomez S, Malagu K, Bailey C, Blackburn K, Cockcroft XL, Ewen S, Fundo A, Le Gall A, Hermann G, Sebastian L, Sunose M, Presnot T, Torode E, Hickson I, Martin NM, Smith GC, Pike KG.: Identification and optimisation of novel and selective small molecular weight kinase inhibitors of mTOR. Bioorg Med Chem Lett, Volume 19 (20), 2009";ChEMBL
MM474820;MM474820;Oc1cccc(-c2ccc(-c3cc(N4CCOCC4)nc(N4CCOCC4)n3)o2)c1;IXIVRLBSURAIDT-UHFFFAOYSA-N;408.46;2.78;;;;;MDCK;EMDCK;25;0;"from A to B, MDCK-MDR, <a href=https://www.ebi.ac.uk/chembl/assay_report_card/CHEMBL1049653/  target=_blank>CHEMBL1049653</a>";;;;;;;;;-5.66;;;;;;;;;;;;"Menear KA, Gomez S, Malagu K, Bailey C, Blackburn K, Cockcroft XL, Ewen S, Fundo A, Le Gall A, Hermann G, Sebastian L, Sunose M, Presnot T, Torode E, Hickson I, Martin NM, Smith GC, Pike KG.: Identification and optimisation of novel and selective small molecular weight kinase inhibitors of mTOR. Bioorg Med Chem Lett, Volume 19 (20), 2009";ChEMBL
MM474821;MM474821;CC(C)c1cccc(CNCC(O)C2Cc3cccc(c3)OCCCCNc3cccc(c3)C(=O)N2)c1;QMDCLYWXGCPUJX-XZWHSSHBSA-N;501.67;4.89;11533436;;;CHEMBL589368;MDCK;EMDCK;25;0;"from A to B, MDCK-MDR, <a href=https://www.ebi.ac.uk/chembl/assay_report_card/CHEMBL1050386/  target=_blank>CHEMBL1050386</a>";;;;;;;;;-5.7;;;;;;;;;;;;"Lerchner A, Machauer R, Betschart C, Veenstra S, Rueeger H, McCarthy C, Tintelnot-Blomley M, Jaton AL, Rabe S, Desrayaud S, Enz A, Staufenbiel M, Paganetti P, Rondeau JM, Neumann U.: Macrocyclic BACE-1 inhibitors acutely reduce Abeta in brain after po application. Bioorg Med Chem Lett, Volume 20 (2), 2010";ChEMBL
MM474822;MM474822;Cc1cc2cc(n1)OCCCCOc1cccc(c1)CC(C(O)CNCc1cccc(C(C)C)c1)NC2=O;TVDHOONBSNHWKJ-URLMMPGGSA-N;517.67;4.56;46225154;;;CHEMBL589369;MDCK;EMDCK;25;0;"from A to B, MDCK-MDR, <a href=https://www.ebi.ac.uk/chembl/assay_report_card/CHEMBL1050386/  target=_blank>CHEMBL1050386</a>";;;;;;;;;-5.89;;;;;;;;;;;;"Lerchner A, Machauer R, Betschart C, Veenstra S, Rueeger H, McCarthy C, Tintelnot-Blomley M, Jaton AL, Rabe S, Desrayaud S, Enz A, Staufenbiel M, Paganetti P, Rondeau JM, Neumann U.: Macrocyclic BACE-1 inhibitors acutely reduce Abeta in brain after po application. Bioorg Med Chem Lett, Volume 20 (2), 2010";ChEMBL
MM474823;MM474823;COCc1cc2cc(c1)C(=O)NC(C(O)CNCc1cccc(C(C)C)c1)Cc1cccc(c1)OCCCCN2;QIDWHGYCMKSPBT-AJQTZOPKSA-N;545.72;5.03;46225199;;;CHEMBL591546;MDCK;EMDCK;25;0;"from A to B, MDCK-MDR, <a href=https://www.ebi.ac.uk/chembl/assay_report_card/CHEMBL1050386/  target=_blank>CHEMBL1050386</a>";;;;;;;;;-6.8;;;;;;;;;;;;"Lerchner A, Machauer R, Betschart C, Veenstra S, Rueeger H, McCarthy C, Tintelnot-Blomley M, Jaton AL, Rabe S, Desrayaud S, Enz A, Staufenbiel M, Paganetti P, Rondeau JM, Neumann U.: Macrocyclic BACE-1 inhibitors acutely reduce Abeta in brain after po application. Bioorg Med Chem Lett, Volume 20 (2), 2010";ChEMBL
MM474824;MM474824;Cc1cc2cc(n1)OCCCCOc1cccc(c1)CC(C(O)CNC(C)c1cccc(C(C)C)c1)NC2=O;WRDFTFAHALVDPT-XSJQRQGXSA-N;531.7;5.12;46225203;;;CHEMBL591547;MDCK;EMDCK;25;0;"from A to B, MDCK-MDR, <a href=https://www.ebi.ac.uk/chembl/assay_report_card/CHEMBL1050386/  target=_blank>CHEMBL1050386</a>";;;;;;;;;-5.89;;;;;;;;;;;;"Lerchner A, Machauer R, Betschart C, Veenstra S, Rueeger H, McCarthy C, Tintelnot-Blomley M, Jaton AL, Rabe S, Desrayaud S, Enz A, Staufenbiel M, Paganetti P, Rondeau JM, Neumann U.: Macrocyclic BACE-1 inhibitors acutely reduce Abeta in brain after po application. Bioorg Med Chem Lett, Volume 20 (2), 2010";ChEMBL
MM474803;MM474803;CS(=O)(=O)Nc1ccc(OCC(=O)N2CCN(c3ccc(Cl)c(Cl)c3)CC2)cc1;;458.37;3.09;46227094;;;CHEMBL594417;MDCK;EMDCK;25;0;"from A to B, MDCK-MDR, <a href=https://www.ebi.ac.uk/chembl/assay_report_card/CHEMBL1040726/  target=_blank>CHEMBL1040726</a>";;;;;;;;;-5.32;;;;;;;;;;;;"Mosley CA, Myers SJ, Murray EE, Santangelo R, Tahirovic YA, Kurtkaya N, Mullasseril P, Yuan H, Lyuboslavsky P, Le P, Wilson LJ, Yepes M, Dingledine R, Traynelis SF, Liotta DC.: Synthesis, structural activity-relationships, and biological evaluation of novel amide-based allosteric binding site antagonists in NR1A/NR2B N-methyl-D-aspartate receptors. Bioorg Med Chem, Volume 17 (17), 2009";ChEMBL
MM474825;MM474825;COCc1cc2cc(c1)C(=O)NC(C(O)CNC(CF)c1cccc(C(C)(C)C)c1)Cc1cccc(c1)OCCCCN2;DDKJURVNAYNPKH-LJTKZVQESA-N;591.77;5.72;46225204;;;CHEMBL594709;MDCK;EMDCK;25;0;"from A to B, MDCK-MDR, <a href=https://www.ebi.ac.uk/chembl/assay_report_card/CHEMBL1050386/  target=_blank>CHEMBL1050386</a>";;;;;;;;;-5.42;;;;;;;;;;;;"Lerchner A, Machauer R, Betschart C, Veenstra S, Rueeger H, McCarthy C, Tintelnot-Blomley M, Jaton AL, Rabe S, Desrayaud S, Enz A, Staufenbiel M, Paganetti P, Rondeau JM, Neumann U.: Macrocyclic BACE-1 inhibitors acutely reduce Abeta in brain after po application. Bioorg Med Chem Lett, Volume 20 (2), 2010";ChEMBL
MM474826;MM474826;COCc1cc2cc(c1)C(=O)NC(C(O)CNC(COC)c1cccc(C(C)(C)C)c1)Cc1cccc(c1)OCCCCN2;KEWIBIGKBFEKRG-DWJMSNRFSA-N;603.8;5.39;46225202;;;CHEMBL594903;MDCK;EMDCK;25;0;"from A to B, MDCK-MDR, <a href=https://www.ebi.ac.uk/chembl/assay_report_card/CHEMBL1050386/  target=_blank>CHEMBL1050386</a>";;;;;;;;;-5.89;;;;;;;;;;;;"Lerchner A, Machauer R, Betschart C, Veenstra S, Rueeger H, McCarthy C, Tintelnot-Blomley M, Jaton AL, Rabe S, Desrayaud S, Enz A, Staufenbiel M, Paganetti P, Rondeau JM, Neumann U.: Macrocyclic BACE-1 inhibitors acutely reduce Abeta in brain after po application. Bioorg Med Chem Lett, Volume 20 (2), 2010";ChEMBL
MM474827;MM474827;CCCS(=O)(=O)N(C)c1cc2cc(c1)C(=O)NC(C(O)CNCc1cccc(C(C)C)c1)Cc1cccc(c1)OCCCCN2;HWLAFZXKYIUVHI-SZAHLOSFSA-N;636.86;5.06;46225201;;;CHEMBL595016;MDCK;EMDCK;25;0;"from A to B, MDCK-MDR, <a href=https://www.ebi.ac.uk/chembl/assay_report_card/CHEMBL1050386/  target=_blank>CHEMBL1050386</a>";;;;;;;;;-6.02;;;;;;;;;;;;"Lerchner A, Machauer R, Betschart C, Veenstra S, Rueeger H, McCarthy C, Tintelnot-Blomley M, Jaton AL, Rabe S, Desrayaud S, Enz A, Staufenbiel M, Paganetti P, Rondeau JM, Neumann U.: Macrocyclic BACE-1 inhibitors acutely reduce Abeta in brain after po application. Bioorg Med Chem Lett, Volume 20 (2), 2010";ChEMBL
MM474828;MM474828;CC(C)c1cccc(CNCC(O)C2Cc3cccc(c3)OCCCCNc3cc(cc(N4C=COC4)c3)C(=O)N2)c1;AKKRZBQIPILXBF-JHOUSYSJSA-N;570.73;5.15;46225200;;;CHEMBL595065;MDCK;EMDCK;25;0;"from A to B, MDCK-MDR, <a href=https://www.ebi.ac.uk/chembl/assay_report_card/CHEMBL1050386/  target=_blank>CHEMBL1050386</a>";;;;;;;;;-6.96;;;;;;;;;;;;"Lerchner A, Machauer R, Betschart C, Veenstra S, Rueeger H, McCarthy C, Tintelnot-Blomley M, Jaton AL, Rabe S, Desrayaud S, Enz A, Staufenbiel M, Paganetti P, Rondeau JM, Neumann U.: Macrocyclic BACE-1 inhibitors acutely reduce Abeta in brain after po application. Bioorg Med Chem Lett, Volume 20 (2), 2010";ChEMBL
MM474829;MM474829;COCc1cc2cc(c1)C(=O)NC(C(O)CNC1(c3cccc(C(C)C)c3)CC1)Cc1cccc(c1)OCCCCN2;GCZHKZTYTMTFGU-JHOUSYSJSA-N;571.76;5.52;44631842;;;CHEMBL595066;MDCK;EMDCK;25;0;"from A to B, MDCK-MDR, <a href=https://www.ebi.ac.uk/chembl/assay_report_card/CHEMBL1050386/  target=_blank>CHEMBL1050386</a>";;;;;;;;;-5.51;;;;;;;;;;;;"Lerchner A, Machauer R, Betschart C, Veenstra S, Rueeger H, McCarthy C, Tintelnot-Blomley M, Jaton AL, Rabe S, Desrayaud S, Enz A, Staufenbiel M, Paganetti P, Rondeau JM, Neumann U.: Macrocyclic BACE-1 inhibitors acutely reduce Abeta in brain after po application. Bioorg Med Chem Lett, Volume 20 (2), 2010";ChEMBL
MM474830;MM474830;CC(C)c1cccc(C2(NCC(O)C3Cc4cccc(c4)OCCCCOc4cc(cc(N5CCCC5=O)c4)C(=O)N3)CC2)c1;UPWNAHZYMBYMAH-SZAHLOSFSA-N;611.78;5.47;46225247;;;CHEMBL595100;MDCK;EMDCK;25;0;"from A to B, MDCK-MDR, <a href=https://www.ebi.ac.uk/chembl/assay_report_card/CHEMBL1050386/  target=_blank>CHEMBL1050386</a>";;;;;;;;;-6.4;;;;;;;;;;;;"Lerchner A, Machauer R, Betschart C, Veenstra S, Rueeger H, McCarthy C, Tintelnot-Blomley M, Jaton AL, Rabe S, Desrayaud S, Enz A, Staufenbiel M, Paganetti P, Rondeau JM, Neumann U.: Macrocyclic BACE-1 inhibitors acutely reduce Abeta in brain after po application. Bioorg Med Chem Lett, Volume 20 (2), 2010";ChEMBL
MM474831;MM474831;CCCS(=O)(=O)N(C)c1cc2cc(c1)C(=O)NC(C(O)CNC1(c3cccc(C(C)C)c3)CC1)Cc1cccc(c1)OCCCCN2;YTELHZGITUPWIN-OIDHKYIRSA-N;662.9;5.55;46225248;;;CHEMBL595136;MDCK;EMDCK;25;0;"from A to B, MDCK-MDR, <a href=https://www.ebi.ac.uk/chembl/assay_report_card/CHEMBL1050386/  target=_blank>CHEMBL1050386</a>";;;;;;;;;-6.55;;;;;;;;;;;;"Lerchner A, Machauer R, Betschart C, Veenstra S, Rueeger H, McCarthy C, Tintelnot-Blomley M, Jaton AL, Rabe S, Desrayaud S, Enz A, Staufenbiel M, Paganetti P, Rondeau JM, Neumann U.: Macrocyclic BACE-1 inhibitors acutely reduce Abeta in brain after po application. Bioorg Med Chem Lett, Volume 20 (2), 2010";ChEMBL
MM474832;MM474832;COCc1cc2cc(c1)C(=O)NC(C(O)CNC(C)(C)c1cccc(C(C)C)c1)Cc1cccc(c1)OCCCCN2;JQKDSQXCKPYWPA-JHOUSYSJSA-N;573.78;5.77;46225249;;;CHEMBL595185;MDCK;EMDCK;25;0;"from A to B, MDCK-MDR, <a href=https://www.ebi.ac.uk/chembl/assay_report_card/CHEMBL1050386/  target=_blank>CHEMBL1050386</a>";;;;;;;;;-5.74;;;;;;;;;;;;"Lerchner A, Machauer R, Betschart C, Veenstra S, Rueeger H, McCarthy C, Tintelnot-Blomley M, Jaton AL, Rabe S, Desrayaud S, Enz A, Staufenbiel M, Paganetti P, Rondeau JM, Neumann U.: Macrocyclic BACE-1 inhibitors acutely reduce Abeta in brain after po application. Bioorg Med Chem Lett, Volume 20 (2), 2010";ChEMBL
MM474833;MM474833;COCc1cc2cc(c1)C(=O)NC(C(O)CNC1(c3cccc(C(C)(C)C)c3)CCC1)Cc1cccc(c1)OCCCCN2;WTYHKZJTJZAMMO-SZAHLOSFSA-N;599.82;6.09;46225250;;;CHEMBL595246;MDCK;EMDCK;25;0;"from A to B, MDCK-MDR, <a href=https://www.ebi.ac.uk/chembl/assay_report_card/CHEMBL1050386/  target=_blank>CHEMBL1050386</a>";;;;;;;;;-5.92;;;;;;;;;;;;"Lerchner A, Machauer R, Betschart C, Veenstra S, Rueeger H, McCarthy C, Tintelnot-Blomley M, Jaton AL, Rabe S, Desrayaud S, Enz A, Staufenbiel M, Paganetti P, Rondeau JM, Neumann U.: Macrocyclic BACE-1 inhibitors acutely reduce Abeta in brain after po application. Bioorg Med Chem Lett, Volume 20 (2), 2010";ChEMBL
MM474834;MM474834;COCc1cc2cc(n1)OCCCCOc1cccc(c1)CC(C(O)CNC1(c3cccc(C(C)C)c3)CC1)NC2=O;ULGBSRGDBHJMRG-IOWSJCHKSA-N;573.73;4.88;46190732;;;CHEMBL595267;MDCK;EMDCK;25;0;"from A to B, MDCK-MDR, <a href=https://www.ebi.ac.uk/chembl/assay_report_card/CHEMBL1050386/  target=_blank>CHEMBL1050386</a>";;;;;;;;;-5.31;;;;;;;;;;;;"Lerchner A, Machauer R, Betschart C, Veenstra S, Rueeger H, McCarthy C, Tintelnot-Blomley M, Jaton AL, Rabe S, Desrayaud S, Enz A, Staufenbiel M, Paganetti P, Rondeau JM, Neumann U.: Macrocyclic BACE-1 inhibitors acutely reduce Abeta in brain after po application. Bioorg Med Chem Lett, Volume 20 (2), 2010";ChEMBL
MM474835;MM474835;COCc1cc2cc(c1)C(=O)NC(C(O)CNC1(c3cccc(C(C)(C)C)c3)CCCC1)Cc1cccc(c1)OCCCCN2;PTOMBISXQDZHEZ-OIDHKYIRSA-N;613.84;6.48;46225251;;;CHEMBL595303;MDCK;EMDCK;25;0;"from A to B, MDCK-MDR, <a href=https://www.ebi.ac.uk/chembl/assay_report_card/CHEMBL1050386/  target=_blank>CHEMBL1050386</a>";;;;;;;;;-5.85;;;;;;;;;;;;"Lerchner A, Machauer R, Betschart C, Veenstra S, Rueeger H, McCarthy C, Tintelnot-Blomley M, Jaton AL, Rabe S, Desrayaud S, Enz A, Staufenbiel M, Paganetti P, Rondeau JM, Neumann U.: Macrocyclic BACE-1 inhibitors acutely reduce Abeta in brain after po application. Bioorg Med Chem Lett, Volume 20 (2), 2010";ChEMBL
MM474804;MM474804;CS(=O)(=O)Nc1ccc(OCCN2CCN(c3ccc(Cl)c(Cl)c3)C2=O)cc1;;444.34;3.69;44622841;;;CHEMBL596036;MDCK;EMDCK;25;0;"from A to B, MDCK-MDR, <a href=https://www.ebi.ac.uk/chembl/assay_report_card/CHEMBL1040726/  target=_blank>CHEMBL1040726</a>";;;;;;;;;-4.89;;;;;;;;;;;;"Mosley CA, Myers SJ, Murray EE, Santangelo R, Tahirovic YA, Kurtkaya N, Mullasseril P, Yuan H, Lyuboslavsky P, Le P, Wilson LJ, Yepes M, Dingledine R, Traynelis SF, Liotta DC.: Synthesis, structural activity-relationships, and biological evaluation of novel amide-based allosteric binding site antagonists in NR1A/NR2B N-methyl-D-aspartate receptors. Bioorg Med Chem, Volume 17 (17), 2009";ChEMBL
MM474849;MM474849;Cn1cnc(C(=O)N(Cc2ccc(F)c(C(F)(F)F)c2)[C@H]2C[C@H]3CNC[C@H]3C2)c1;VAVBDQVWHLBYKB-QDMKHBRRSA-N;410.42;3.22;;;;;MDCK;EMDCK;25;0;"from A to B, MDCK-MDR, <a href=https://www.ebi.ac.uk/chembl/assay_report_card/CHEMBL1073603/  target=_blank>CHEMBL1073603</a>";;;;;;;;;-5.68;;;;;;;;;;;;"Lowe JA, Deninno SL, Drozda SE, Schmidt CJ, Ward KM, David Tingley F, Sanner M, Tunucci D, Valentine J.: An octahydro-cyclopenta[c]pyrrole series of inhibitors of the type 1 glycine transporter. Bioorg Med Chem Lett, Volume 20 (3), 2010";ChEMBL
MM474850;MM474850;Cn1cnc(C(=O)N(Cc2cccc(OC(F)(F)F)c2)[C@H]2C[C@H]3CNC[C@H]3C2)c1;KBRWHYVGRXRJIC-MUJYYYPQSA-N;408.42;2.96;;;;;MDCK;EMDCK;25;0;"from A to B, MDCK-MDR, <a href=https://www.ebi.ac.uk/chembl/assay_report_card/CHEMBL1073603/  target=_blank>CHEMBL1073603</a>";;;;;;;;;-5.96;;;;;;;;;;;;"Lowe JA, Deninno SL, Drozda SE, Schmidt CJ, Ward KM, David Tingley F, Sanner M, Tunucci D, Valentine J.: An octahydro-cyclopenta[c]pyrrole series of inhibitors of the type 1 glycine transporter. Bioorg Med Chem Lett, Volume 20 (3), 2010";ChEMBL
MM474851;MM474851;Cn1cnc(C(=O)N(Cc2cccc(OC(F)(F)F)c2)[C@@H]2C[C@@H]3CN(CCC(F)(F)F)C[C@@H]3C2)c1;ZHIFBXYCMMXVQR-BCDXTJNWSA-N;504.48;4.62;;;;;MDCK;EMDCK;25;0;"from A to B, MDCK-MDR, <a href=https://www.ebi.ac.uk/chembl/assay_report_card/CHEMBL1073603/  target=_blank>CHEMBL1073603</a>";;;;;;;;;-4.59;;;;;;;;;;;;"Lowe JA, Deninno SL, Drozda SE, Schmidt CJ, Ward KM, David Tingley F, Sanner M, Tunucci D, Valentine J.: An octahydro-cyclopenta[c]pyrrole series of inhibitors of the type 1 glycine transporter. Bioorg Med Chem Lett, Volume 20 (3), 2010";ChEMBL
MM474852;MM474852;Cn1cnc(C(=O)N(Cc2cccc(OC(F)(F)F)c2)[C@@H]2C[C@@H]3CN(CC(O)c4ccccc4)C[C@@H]3C2)c1;KYCWFOMNQICMSP-XQLXZJNDSA-N;528.58;4.41;;;;;MDCK;EMDCK;25;0;"from A to B, MDCK-MDR, <a href=https://www.ebi.ac.uk/chembl/assay_report_card/CHEMBL1073603/  target=_blank>CHEMBL1073603</a>";;;;;;;;;-5.09;;;;;;;;;;;;"Lowe JA, Deninno SL, Drozda SE, Schmidt CJ, Ward KM, David Tingley F, Sanner M, Tunucci D, Valentine J.: An octahydro-cyclopenta[c]pyrrole series of inhibitors of the type 1 glycine transporter. Bioorg Med Chem Lett, Volume 20 (3), 2010";ChEMBL
Chembl598659;MM469171;CN1CC2CC(N(Cc3cccc(OC(F)(F)F)c3)C(=O)c3cn(C)cn3)CC2C1;BPFSRDSVMKDEAX-UHFFFAOYSA-N;422.45;3.3;46216732;;;CHEMBL598659;MDCK;EMDCK;25;0;"from A to B, MDCK-MDR, <a href=https://www.ebi.ac.uk/chembl/assay_report_card/CHEMBL1073603/  target=_blank>CHEMBL1073603</a>";;;;;;;;;-4.67;;;;;;;;;;;;"Lowe JA, Deninno SL, Drozda SE, Schmidt CJ, Ward KM, David Tingley F, Sanner M, Tunucci D, Valentine J.: An octahydro-cyclopenta[c]pyrrole series of inhibitors of the type 1 glycine transporter. Bioorg Med Chem Lett, Volume 20 (3), 2010";ChEMBL
MM474843;MM474843;COCCNCC(O)c1cc(C(F)(F)F)nc2c(C(F)(F)F)cccc12;NJNILOUJUMZROM-UHFFFAOYSA-N;382.3;3.54;46232407;;;CHEMBL598931;MDCK;EMDCK;25;0;"from A to B, MDCK-MDR, <a href=https://www.ebi.ac.uk/chembl/assay_report_card/CHEMBL1073110/  target=_blank>CHEMBL1073110</a>";;;;;;;;;-4.49;;;;;;;;;;;;"Milner E, McCalmont W, Bhonsle J, Caridha D, Carroll D, Gardner S, Gerena L, Gettayacamin M, Lanteri C, Luong T, Melendez V, Moon J, Roncal N, Sousa J, Tungtaeng A, Wipf P, Dow G.: Structure-activity relationships amongst 4-position quinoline methanol antimalarials that inhibit the growth of drug sensitive and resistant strains of Plasmodium falciparum. Bioorg Med Chem Lett, Volume 20 (4), 2010";ChEMBL
MM474853;MM474853;Cn1cnc(C(=O)N(Cc2ccc(F)c(OC3CCCC3)c2)[C@H]2C[C@H]3CNC[C@H]3C2)c1;CLMVMIDTRWHVDW-REPLKXPHSA-N;426.54;3.52;;;;;MDCK;EMDCK;25;0;"from A to B, MDCK-MDR, <a href=https://www.ebi.ac.uk/chembl/assay_report_card/CHEMBL1073603/  target=_blank>CHEMBL1073603</a>";;;;;;;;;-6.7;;;;;;;;;;;;"Lowe JA, Deninno SL, Drozda SE, Schmidt CJ, Ward KM, David Tingley F, Sanner M, Tunucci D, Valentine J.: An octahydro-cyclopenta[c]pyrrole series of inhibitors of the type 1 glycine transporter. Bioorg Med Chem Lett, Volume 20 (3), 2010";ChEMBL
MM474854;MM474854;CC(C)Oc1cccc(CN(C(=O)c2cn(C)cn2)[C@H]2C[C@H]3CNC[C@H]3C2)c1;UTNWHVZSHUCJTA-REPLKXPHSA-N;382.51;2.85;;;;;MDCK;EMDCK;25;0;"from A to B, MDCK-MDR, <a href=https://www.ebi.ac.uk/chembl/assay_report_card/CHEMBL1073603/  target=_blank>CHEMBL1073603</a>";;;;;;;;;-5.66;;;;;;;;;;;;"Lowe JA, Deninno SL, Drozda SE, Schmidt CJ, Ward KM, David Tingley F, Sanner M, Tunucci D, Valentine J.: An octahydro-cyclopenta[c]pyrrole series of inhibitors of the type 1 glycine transporter. Bioorg Med Chem Lett, Volume 20 (3), 2010";ChEMBL
MM474844;MM474844;OC(NCC12CCC(C1)NC2)c1cc(C(F)(F)F)nc2c(C(F)(F)F)cccc12;GMHFKOCCMACCAP-HTYZCBBDSA-N;419.37;4;46232484;;;CHEMBL599346;MDCK;EMDCK;25;0;"from A to B, MDCK-MDR, <a href=https://www.ebi.ac.uk/chembl/assay_report_card/CHEMBL1073110/  target=_blank>CHEMBL1073110</a>";;;;;;;;;-5.7;;;;;;;;;;;;"Milner E, McCalmont W, Bhonsle J, Caridha D, Carroll D, Gardner S, Gerena L, Gettayacamin M, Lanteri C, Luong T, Melendez V, Moon J, Roncal N, Sousa J, Tungtaeng A, Wipf P, Dow G.: Structure-activity relationships amongst 4-position quinoline methanol antimalarials that inhibit the growth of drug sensitive and resistant strains of Plasmodium falciparum. Bioorg Med Chem Lett, Volume 20 (4), 2010";ChEMBL
Chembl599480;MM468055;CCN1CC2CC(N(Cc3ccc(F)c(C(F)(F)F)c3)C(=O)c3cn(C)cn3)CC2C1;JQEUMGMNJYJROS-UHFFFAOYSA-N;438.47;3.95;46231075;;;CHEMBL599480;MDCK;EMDCK;25;0;"from A to B, MDCK-MDR, <a href=https://www.ebi.ac.uk/chembl/assay_report_card/CHEMBL1073603/  target=_blank>CHEMBL1073603</a>";;;;;;;;;-4.84;;;;;;;;;;;;"Lowe JA, Deninno SL, Drozda SE, Schmidt CJ, Ward KM, David Tingley F, Sanner M, Tunucci D, Valentine J.: An octahydro-cyclopenta[c]pyrrole series of inhibitors of the type 1 glycine transporter. Bioorg Med Chem Lett, Volume 20 (3), 2010";ChEMBL
Chembl599482;MM469170;CN1CC2CC(N(Cc3ccc(F)c(OC4CCCC4)c3)C(=O)c3cn(C)cn3)CC2C1;BHCXDAMJQOPWKM-UHFFFAOYSA-N;440.56;3.86;46216733;;;CHEMBL599482;MDCK;EMDCK;25;0;"from A to B, MDCK-MDR, <a href=https://www.ebi.ac.uk/chembl/assay_report_card/CHEMBL1073603/  target=_blank>CHEMBL1073603</a>";;;;;;;;;-4.98;;;;;;;;;;;;"Lowe JA, Deninno SL, Drozda SE, Schmidt CJ, Ward KM, David Tingley F, Sanner M, Tunucci D, Valentine J.: An octahydro-cyclopenta[c]pyrrole series of inhibitors of the type 1 glycine transporter. Bioorg Med Chem Lett, Volume 20 (3), 2010";ChEMBL
MM474845;MM474845;OC(CNCCNCc1ccccc1)c1cc(C(F)(F)F)nc2c(C(F)(F)F)cccc12;PDXDKZUJFFIYQL-UHFFFAOYSA-N;457.42;4.69;46232482;;;CHEMBL599523;MDCK;EMDCK;25;0;"from A to B, MDCK-MDR, <a href=https://www.ebi.ac.uk/chembl/assay_report_card/CHEMBL1073110/  target=_blank>CHEMBL1073110</a>";;;;;;;;;-5.08;;;;;;;;;;;;"Milner E, McCalmont W, Bhonsle J, Caridha D, Carroll D, Gardner S, Gerena L, Gettayacamin M, Lanteri C, Luong T, Melendez V, Moon J, Roncal N, Sousa J, Tungtaeng A, Wipf P, Dow G.: Structure-activity relationships amongst 4-position quinoline methanol antimalarials that inhibit the growth of drug sensitive and resistant strains of Plasmodium falciparum. Bioorg Med Chem Lett, Volume 20 (4), 2010";ChEMBL
MM474836;MM474836;Cc1cc2cc(n1)OCCCCOc1cccc(c1)CC(C(O)CNC1(c3cccc(C(C)C)c3)CC1)NC2=O;DLWWAEZPTACWPK-XZWHSSHBSA-N;543.71;5.05;46191766;;;CHEMBL600326;MDCK;EMDCK;25;0;"from A to B, MDCK-MDR, <a href=https://www.ebi.ac.uk/chembl/assay_report_card/CHEMBL1050386/  target=_blank>CHEMBL1050386</a>";;;;;;;;;-5.4;;;;;;;;;;;;"Lerchner A, Machauer R, Betschart C, Veenstra S, Rueeger H, McCarthy C, Tintelnot-Blomley M, Jaton AL, Rabe S, Desrayaud S, Enz A, Staufenbiel M, Paganetti P, Rondeau JM, Neumann U.: Macrocyclic BACE-1 inhibitors acutely reduce Abeta in brain after po application. Bioorg Med Chem Lett, Volume 20 (2), 2010";ChEMBL
MM474837;MM474837;Cc1cc2cc(n1)NCCCCOc1cccc(c1)CC(C(O)CNCc1cccc(C(C)C)c1)NC2=O;WPGDASXVPILJSI-URLMMPGGSA-N;516.69;4.59;46225198;;;CHEMBL601681;MDCK;EMDCK;25;0;"from A to B, MDCK-MDR, <a href=https://www.ebi.ac.uk/chembl/assay_report_card/CHEMBL1050386/  target=_blank>CHEMBL1050386</a>";;;;;;;;;-6.77;;;;;;;;;;;;"Lerchner A, Machauer R, Betschart C, Veenstra S, Rueeger H, McCarthy C, Tintelnot-Blomley M, Jaton AL, Rabe S, Desrayaud S, Enz A, Staufenbiel M, Paganetti P, Rondeau JM, Neumann U.: Macrocyclic BACE-1 inhibitors acutely reduce Abeta in brain after po application. Bioorg Med Chem Lett, Volume 20 (2), 2010";ChEMBL
MM474846;MM474846;CCCCNCC(O)c1cc(C(F)(F)F)nc2c(C(F)(F)F)cccc12;FNAWEZUMHMJQKN-UHFFFAOYSA-N;380.33;4.7;46232872;;;CHEMBL602912;MDCK;EMDCK;25;0;"from A to B, MDCK-MDR, <a href=https://www.ebi.ac.uk/chembl/assay_report_card/CHEMBL1073110/  target=_blank>CHEMBL1073110</a>";;;;;;;;;-4.6;;;;;;;;;;;;"Milner E, McCalmont W, Bhonsle J, Caridha D, Carroll D, Gardner S, Gerena L, Gettayacamin M, Lanteri C, Luong T, Melendez V, Moon J, Roncal N, Sousa J, Tungtaeng A, Wipf P, Dow G.: Structure-activity relationships amongst 4-position quinoline methanol antimalarials that inhibit the growth of drug sensitive and resistant strains of Plasmodium falciparum. Bioorg Med Chem Lett, Volume 20 (4), 2010";ChEMBL
MM474847;MM474847;CNCC(O)c1cc(C(F)(F)F)nc2c(C(F)(F)F)cccc12;SXHYASJCSPRVCT-UHFFFAOYSA-N;338.25;3.53;23004022;;;CHEMBL603488;MDCK;EMDCK;25;0;"from A to B, MDCK-MDR, <a href=https://www.ebi.ac.uk/chembl/assay_report_card/CHEMBL1073110/  target=_blank>CHEMBL1073110</a>";;;;;;;;;-4.62;;;;;;;;;;;;"Milner E, McCalmont W, Bhonsle J, Caridha D, Carroll D, Gardner S, Gerena L, Gettayacamin M, Lanteri C, Luong T, Melendez V, Moon J, Roncal N, Sousa J, Tungtaeng A, Wipf P, Dow G.: Structure-activity relationships amongst 4-position quinoline methanol antimalarials that inhibit the growth of drug sensitive and resistant strains of Plasmodium falciparum. Bioorg Med Chem Lett, Volume 20 (4), 2010";ChEMBL
MM474855;MM474855;Cn1cnc(C(=O)N(Cc2cccc(OC3CCCC3)c2)[C@H]2C[C@H]3CNC[C@H]3C2)c1;PAJUEHORDWKTSQ-ACDBMABISA-N;408.55;3.38;;;;;MDCK;EMDCK;25;0;"from A to B, MDCK-MDR, <a href=https://www.ebi.ac.uk/chembl/assay_report_card/CHEMBL1073603/  target=_blank>CHEMBL1073603</a>";;;;;;;;;-6.58;;;;;;;;;;;;"Lowe JA, Deninno SL, Drozda SE, Schmidt CJ, Ward KM, David Tingley F, Sanner M, Tunucci D, Valentine J.: An octahydro-cyclopenta[c]pyrrole series of inhibitors of the type 1 glycine transporter. Bioorg Med Chem Lett, Volume 20 (3), 2010";ChEMBL
Chembl603695;MM469169;CN1CC2CC(N(Cc3ccc(F)c(C(F)(F)F)c3)C(=O)c3cn(C)cn3)CC2C1;QOTDZEUUPREESE-UHFFFAOYSA-N;424.44;3.56;46231076;;;CHEMBL603695;MDCK;EMDCK;25;0;"from A to B, MDCK-MDR, <a href=https://www.ebi.ac.uk/chembl/assay_report_card/CHEMBL1073603/  target=_blank>CHEMBL1073603</a>";;;;;;;;;-4.89;;;;;;;;;;;;"Lowe JA, Deninno SL, Drozda SE, Schmidt CJ, Ward KM, David Tingley F, Sanner M, Tunucci D, Valentine J.: An octahydro-cyclopenta[c]pyrrole series of inhibitors of the type 1 glycine transporter. Bioorg Med Chem Lett, Volume 20 (3), 2010";ChEMBL
MM474856;MM474856;COc1ccc(CN(C(=O)c2cn(C)cn2)C2CC3CNCC3C2)cc1OC1CCCC1;CRMAUZQHGCAUDQ-ACDBMABISA-N;438.57;3.39;46231014;;;CHEMBL603893;MDCK;EMDCK;25;0;"from A to B, MDCK-MDR, <a href=https://www.ebi.ac.uk/chembl/assay_report_card/CHEMBL1073603/  target=_blank>CHEMBL1073603</a>";;;;;;;;;-6.54;;;;;;;;;;;;"Lowe JA, Deninno SL, Drozda SE, Schmidt CJ, Ward KM, David Tingley F, Sanner M, Tunucci D, Valentine J.: An octahydro-cyclopenta[c]pyrrole series of inhibitors of the type 1 glycine transporter. Bioorg Med Chem Lett, Volume 20 (3), 2010";ChEMBL
Chembl604805;MM468056;CCN1CC2CC(N(Cc3cccc(OC(F)(F)F)c3)C(=O)c3cn(C)cn3)CC2C1;MCVXWPPVTYUESA-UHFFFAOYSA-N;436.48;3.69;46231077;;;CHEMBL604805;MDCK;EMDCK;25;0;"from A to B, MDCK-MDR, <a href=https://www.ebi.ac.uk/chembl/assay_report_card/CHEMBL1073603/  target=_blank>CHEMBL1073603</a>";;;;;;;;;-4.52;;;;;;;;;;;;"Lowe JA, Deninno SL, Drozda SE, Schmidt CJ, Ward KM, David Tingley F, Sanner M, Tunucci D, Valentine J.: An octahydro-cyclopenta[c]pyrrole series of inhibitors of the type 1 glycine transporter. Bioorg Med Chem Lett, Volume 20 (3), 2010";ChEMBL
MM474857;MM474857;CC(F)CN1C[C@H]2C[C@@H](N(Cc3cccc(OC(F)(F)F)c3)C(=O)c3cn(C)cn3)C[C@H]2C1;AZPCJFGZZMKYRM-BSUDQKQGSA-N;468.5;4.03;;;;;MDCK;EMDCK;25;0;"from A to B, MDCK-MDR, <a href=https://www.ebi.ac.uk/chembl/assay_report_card/CHEMBL1073603/  target=_blank>CHEMBL1073603</a>";;;;;;;;;-4.34;;;;;;;;;;;;"Lowe JA, Deninno SL, Drozda SE, Schmidt CJ, Ward KM, David Tingley F, Sanner M, Tunucci D, Valentine J.: An octahydro-cyclopenta[c]pyrrole series of inhibitors of the type 1 glycine transporter. Bioorg Med Chem Lett, Volume 20 (3), 2010";ChEMBL
MM474858;MM474858;Cn1cnc(C(=O)N(Cc2cccc(OC(F)(F)F)c2)[C@@H]2C[C@@H]3CN(CC(C)(C)O)C[C@@H]3C2)c1;ARKYOPPYXOUDRK-REPLKXPHSA-N;480.53;3.44;;;;;MDCK;EMDCK;25;0;"from A to B, MDCK-MDR, <a href=https://www.ebi.ac.uk/chembl/assay_report_card/CHEMBL1073603/  target=_blank>CHEMBL1073603</a>";;;;;;;;;-4.75;;;;;;;;;;;;"Lowe JA, Deninno SL, Drozda SE, Schmidt CJ, Ward KM, David Tingley F, Sanner M, Tunucci D, Valentine J.: An octahydro-cyclopenta[c]pyrrole series of inhibitors of the type 1 glycine transporter. Bioorg Med Chem Lett, Volume 20 (3), 2010";ChEMBL
MM474805;MM474805;CS(=O)(=O)Nc1ccc(OCC(=O)NCCNc2ccc(Cl)c(Cl)c2)cc1;;432.33;2.97;44622834;;;CHEMBL607819;MDCK;EMDCK;25;0;"from A to B, MDCK-MDR, <a href=https://www.ebi.ac.uk/chembl/assay_report_card/CHEMBL1040726/  target=_blank>CHEMBL1040726</a>";;;;;;;;;-5.74;;;;;;;;;;;;"Mosley CA, Myers SJ, Murray EE, Santangelo R, Tahirovic YA, Kurtkaya N, Mullasseril P, Yuan H, Lyuboslavsky P, Le P, Wilson LJ, Yepes M, Dingledine R, Traynelis SF, Liotta DC.: Synthesis, structural activity-relationships, and biological evaluation of novel amide-based allosteric binding site antagonists in NR1A/NR2B N-methyl-D-aspartate receptors. Bioorg Med Chem, Volume 17 (17), 2009";ChEMBL
MM474859;MM474859;Cn1cnc(C(=O)N(Cc2ccc(F)c(C(F)(F)F)c2)[C@@H]2C[C@H]3CNC[C@H]3C2)c1;VAVBDQVWHLBYKB-FICVDOATSA-N;410.42;3.22;;;;;MDCK;EMDCK;25;0;"from A to B, MDCK-MDR, <a href=https://www.ebi.ac.uk/chembl/assay_report_card/CHEMBL1073603/  target=_blank>CHEMBL1073603</a>";;;;;;;;;-6.7;;;;;;;;;;;;"Lowe JA, Deninno SL, Drozda SE, Schmidt CJ, Ward KM, David Tingley F, Sanner M, Tunucci D, Valentine J.: An octahydro-cyclopenta[c]pyrrole series of inhibitors of the type 1 glycine transporter. Bioorg Med Chem Lett, Volume 20 (3), 2010";ChEMBL
MM474838;MM474838;COCc1cc2cc(c1)C(=O)NC(C(O)CNC(c1cccc(C(C)(C)C)c1)C(F)(F)F)Cc1cccc(c1)OCCCCN2;VNZSVUSLCTXQLM-JGIBFQFJSA-N;627.75;6.31;46225205;;;CHEMBL609295;MDCK;EMDCK;25;0;"from A to B, MDCK-MDR, <a href=https://www.ebi.ac.uk/chembl/assay_report_card/CHEMBL1050386/  target=_blank>CHEMBL1050386</a>";;;;;;;;;-5.25;;;;;;;;;;;;"Lerchner A, Machauer R, Betschart C, Veenstra S, Rueeger H, McCarthy C, Tintelnot-Blomley M, Jaton AL, Rabe S, Desrayaud S, Enz A, Staufenbiel M, Paganetti P, Rondeau JM, Neumann U.: Macrocyclic BACE-1 inhibitors acutely reduce Abeta in brain after po application. Bioorg Med Chem Lett, Volume 20 (2), 2010";ChEMBL
MM474848;MM474848;CSCCCNCC(O)c1cc(C(F)(F)F)nc2c(C(F)(F)F)cccc12;CXWFUEQMTADWKS-UHFFFAOYSA-N;412.4;4.65;46232409;;;CHEMBL609330;MDCK;EMDCK;25;0;"from A to B, MDCK-MDR, <a href=https://www.ebi.ac.uk/chembl/assay_report_card/CHEMBL1073110/  target=_blank>CHEMBL1073110</a>";;;;;;;;;-4.42;;;;;;;;;;;;"Milner E, McCalmont W, Bhonsle J, Caridha D, Carroll D, Gardner S, Gerena L, Gettayacamin M, Lanteri C, Luong T, Melendez V, Moon J, Roncal N, Sousa J, Tungtaeng A, Wipf P, Dow G.: Structure-activity relationships amongst 4-position quinoline methanol antimalarials that inhibit the growth of drug sensitive and resistant strains of Plasmodium falciparum. Bioorg Med Chem Lett, Volume 20 (4), 2010";ChEMBL
MM474980;MM474980;COc1ccc2[nH]cc(CCN(C)C)c2c1;;218.3;2.28;1832;;;CHEMBL7257;MDCK;EMDCK;25;0;"from A to B, MDCK-MDR, <a href=https://www.ebi.ac.uk/chembl/assay_report_card/CHEMBL861747/  target=_blank>CHEMBL861747</a>";;;;;;;;;-4.7;;;;;;;;;;;;"May JA, Dantanarayana AP, Zinke PW, McLaughlin MA, Sharif NA.: 1-((S)-2-aminopropyl)-1H-indazol-6-ol: a potent peripherally acting 5-HT2 receptor agonist with ocular hypotensive activity. J Med Chem, Volume 49 (1), 2006";ChEMBL
MM474980;MM474980;COc1ccc2[nH]cc(CCN(C)C)c2c1;;218.3;2.28;1832;;;CHEMBL7257;MDCK;EMDCK;25;0;"from A to B, MDCK-MDR, <a href=https://www.ebi.ac.uk/chembl/assay_report_card/CHEMBL863567/  target=_blank>CHEMBL863567</a>";;;;;;;;;-4.79;;;;;;;;;;;;"May JA, Dantanarayana AP, Zinke PW, McLaughlin MA, Sharif NA.: 1-((S)-2-aminopropyl)-1H-indazol-6-ol: a potent peripherally acting 5-HT2 receptor agonist with ocular hypotensive activity. J Med Chem, Volume 49 (1), 2006";ChEMBL
MM474867;MM474867;CC(=O)NC(Cc1cc(F)cc(F)c1)C(O)CNC1(c2cccc(C3CCOC3)c2)CCCCC1;;486.6;4.33;46927945;;;CHEMBL1209106;MDCK;EMDCK;25;0;"from B to A, <a href=https://www.ebi.ac.uk/chembl/assay_report_card/CHEMBL1274835/  target=_blank>CHEMBL1274835</a>";;;;;;;;;-5;;;;;;;;;;;;"Truong AP, Tóth G, Probst GD, Sealy JM, Bowers S, Wone DW, Dressen D, Hom RK, Konradi AW, Sham HL, Wu J, Peterson BT, Ruslim L, Bova MP, Kholodenko D, Motter RN, Bard F, Santiago P, Ni H, Chian D, Soriano F, Cole T, Brigham EF, Wong K, Zmolek W, Goldbach E, Samant B, Chen L, Zhang H, Nakamura DF, Quinn KP, Yednock TA, Sauer JM.: Design of an orally efficacious hydroxyethylamine (HEA) BACE-1 inhibitor in a preclinical animal model. Bioorg Med Chem Lett, Volume 20 (21), 2010";ChEMBL
MM474893;MM474893;O=C(NCC(NC(=O)c1c(Cl)cc2c(c1Cl)CCN(C(=O)c1ccc3ccoc3c1)C2)C(=O)O)c1cccs1;;586.45;4.61;11399131;;;CHEMBL1222288;MDCK;EMDCK;25;0;"from B to A, <a href=https://www.ebi.ac.uk/chembl/assay_report_card/CHEMBL1227418/  target=_blank>CHEMBL1227418</a>";;;;;;;;;-6.52;;;;;;;;;;;;"Zhong M, Shen W, Barr KJ, Arbitrario JP, Arkin MR, Bui M, Chen T, Cunningham BC, Evanchik MJ, Hanan EJ, Hoch U, Huen K, Hyde J, Kumer JL, Lac T, Lawrence CE, Martell JR, Oslob JD, Paulvannan K, Prabhu S, Silverman JA, Wright J, Yu CH, Zhu J, Flanagan WM.: Discovery of tetrahydroisoquinoline (THIQ) derivatives as potent and orally bioavailable LFA-1/ICAM-1 antagonists. Bioorg Med Chem Lett, Volume 20 (17), 2010";ChEMBL
MM474894;MM474894;CCOC(=O)C(CNC(=O)c1cccs1)NC(=O)c1c(Cl)cc2c(c1Cl)CCN(C(=O)c1ccc3ccoc3c1)C2;;614.51;5.09;46935021;;;CHEMBL1222291;MDCK;EMDCK;25;0;"from B to A, <a href=https://www.ebi.ac.uk/chembl/assay_report_card/CHEMBL1227418/  target=_blank>CHEMBL1227418</a>";;;;;;;;;-5;;;;;;;;;;;;"Zhong M, Shen W, Barr KJ, Arbitrario JP, Arkin MR, Bui M, Chen T, Cunningham BC, Evanchik MJ, Hanan EJ, Hoch U, Huen K, Hyde J, Kumer JL, Lac T, Lawrence CE, Martell JR, Oslob JD, Paulvannan K, Prabhu S, Silverman JA, Wright J, Yu CH, Zhu J, Flanagan WM.: Discovery of tetrahydroisoquinoline (THIQ) derivatives as potent and orally bioavailable LFA-1/ICAM-1 antagonists. Bioorg Med Chem Lett, Volume 20 (17), 2010";ChEMBL
MM474898;MM474898;CC(=O)N[C@@H](Cc1cc(F)cc(F)c1)[C@H](O)CNC1(c2cc(C(C)(C)C)ncn2)CCCCC1;;474.6;3.91;;;;CHEMBL1257302;MDCK;EMDCK;25;0;"from B to A, <a href=https://www.ebi.ac.uk/chembl/assay_report_card/CHEMBL1274835/  target=_blank>CHEMBL1274835</a>";;;;;;;;;-4.58;;;;;;;;;;;;"Truong AP, Tóth G, Probst GD, Sealy JM, Bowers S, Wone DW, Dressen D, Hom RK, Konradi AW, Sham HL, Wu J, Peterson BT, Ruslim L, Bova MP, Kholodenko D, Motter RN, Bard F, Santiago P, Ni H, Chian D, Soriano F, Cole T, Brigham EF, Wong K, Zmolek W, Goldbach E, Samant B, Chen L, Zhang H, Nakamura DF, Quinn KP, Yednock TA, Sauer JM.: Design of an orally efficacious hydroxyethylamine (HEA) BACE-1 inhibitor in a preclinical animal model. Bioorg Med Chem Lett, Volume 20 (21), 2010";ChEMBL
MM474899;MM474899;CC(=O)N[C@@H](Cc1cc(F)cc(F)c1)[C@H](O)CNC1(c2cccc(C(C)(C)C)c2)CC1;;430.54;3.95;;;;CHEMBL1257303;MDCK;EMDCK;25;0;"from B to A, <a href=https://www.ebi.ac.uk/chembl/assay_report_card/CHEMBL1274835/  target=_blank>CHEMBL1274835</a>";;;;;;;;;-5.3;;;;;;;;;;;;"Truong AP, Tóth G, Probst GD, Sealy JM, Bowers S, Wone DW, Dressen D, Hom RK, Konradi AW, Sham HL, Wu J, Peterson BT, Ruslim L, Bova MP, Kholodenko D, Motter RN, Bard F, Santiago P, Ni H, Chian D, Soriano F, Cole T, Brigham EF, Wong K, Zmolek W, Goldbach E, Samant B, Chen L, Zhang H, Nakamura DF, Quinn KP, Yednock TA, Sauer JM.: Design of an orally efficacious hydroxyethylamine (HEA) BACE-1 inhibitor in a preclinical animal model. Bioorg Med Chem Lett, Volume 20 (21), 2010";ChEMBL
MM474902;MM474902;CC(=O)N[C@@H](Cc1cc(F)cc(F)c1)[C@H](O)CNC1(c2cnn(CC(C)(C)C)c2)CC1;;434.53;2.89;;;;CHEMBL1258002;MDCK;EMDCK;25;0;"from B to A, <a href=https://www.ebi.ac.uk/chembl/assay_report_card/CHEMBL1274835/  target=_blank>CHEMBL1274835</a>";;;;;;;;;-4.99;;;;;;;;;;;;"Truong AP, Tóth G, Probst GD, Sealy JM, Bowers S, Wone DW, Dressen D, Hom RK, Konradi AW, Sham HL, Wu J, Peterson BT, Ruslim L, Bova MP, Kholodenko D, Motter RN, Bard F, Santiago P, Ni H, Chian D, Soriano F, Cole T, Brigham EF, Wong K, Zmolek W, Goldbach E, Samant B, Chen L, Zhang H, Nakamura DF, Quinn KP, Yednock TA, Sauer JM.: Design of an orally efficacious hydroxyethylamine (HEA) BACE-1 inhibitor in a preclinical animal model. Bioorg Med Chem Lett, Volume 20 (21), 2010";ChEMBL
MM474929;MM474929;CC(=O)NC[C@H]1CN(c2ccc(N3CCOCC3)c(F)c2)C(=O)O1;;337.35;1.12;;;;CHEMBL126;MDCK;EMDCK;25;0;"from B to A, <a href=https://www.ebi.ac.uk/chembl/assay_report_card/CHEMBL1645985/  target=_blank>CHEMBL1645985</a>";;;;;;;;;-4.97;;;;;;;;;;;;"Guarino VR, Nti-Addae K, Stella VJ.: MDCK cell permeability characteristics of a sulfenamide prodrug: strategic implications in considering sulfenamide prodrugs for oral delivery of NH-acids. Bioorg Med Chem Lett, Volume 21 (1), 2011";ChEMBL
MM474908;MM474908;CC(=O)N[C@@H](Cc1cc(F)cc(F)c1)[C@H](O)CNC1(c2cccc(-n3cccn3)c2)CCOCC1;UDAQMKVSZXLZGC-LOSJGSFVSA-N;484.55;2.85;;;;;MDCK;EMDCK;25;0;"from B to A, <a href=https://www.ebi.ac.uk/chembl/assay_report_card/CHEMBL1274835/  target=_blank>CHEMBL1274835</a>";;;;;;;;;-5.32;;;;;;;;;;;;"Truong AP, Tóth G, Probst GD, Sealy JM, Bowers S, Wone DW, Dressen D, Hom RK, Konradi AW, Sham HL, Wu J, Peterson BT, Ruslim L, Bova MP, Kholodenko D, Motter RN, Bard F, Santiago P, Ni H, Chian D, Soriano F, Cole T, Brigham EF, Wong K, Zmolek W, Goldbach E, Samant B, Chen L, Zhang H, Nakamura DF, Quinn KP, Yednock TA, Sauer JM.: Design of an orally efficacious hydroxyethylamine (HEA) BACE-1 inhibitor in a preclinical animal model. Bioorg Med Chem Lett, Volume 20 (21), 2010";ChEMBL
MM474909;MM474909;CC(=O)N[C@@H](Cc1cc(F)cc(F)c1)[C@H](O)CNC1(c2cccc(C3CCOC3)c2)CCOCC1;KBLUIKVYUUMQFP-PBTPRMJDSA-N;488.58;3.17;;;;;MDCK;EMDCK;25;0;"from B to A, <a href=https://www.ebi.ac.uk/chembl/assay_report_card/CHEMBL1274835/  target=_blank>CHEMBL1274835</a>";;;;;;;;;-5.92;;;;;;;;;;;;"Truong AP, Tóth G, Probst GD, Sealy JM, Bowers S, Wone DW, Dressen D, Hom RK, Konradi AW, Sham HL, Wu J, Peterson BT, Ruslim L, Bova MP, Kholodenko D, Motter RN, Bard F, Santiago P, Ni H, Chian D, Soriano F, Cole T, Brigham EF, Wong K, Zmolek W, Goldbach E, Samant B, Chen L, Zhang H, Nakamura DF, Quinn KP, Yednock TA, Sauer JM.: Design of an orally efficacious hydroxyethylamine (HEA) BACE-1 inhibitor in a preclinical animal model. Bioorg Med Chem Lett, Volume 20 (21), 2010";ChEMBL
MM474910;MM474910;CC(=O)N[C@@H](Cc1cc(F)cc(F)c1)[C@H](O)CNCc1cccc(C(C)(C)C)c1;GUUXSDASFBPWFQ-FCHUYYIVSA-N;404.5;3.46;;;;;MDCK;EMDCK;25;0;"from B to A, <a href=https://www.ebi.ac.uk/chembl/assay_report_card/CHEMBL1274835/  target=_blank>CHEMBL1274835</a>";;;;;;;;;-5.89;;;;;;;;;;;;"Truong AP, Tóth G, Probst GD, Sealy JM, Bowers S, Wone DW, Dressen D, Hom RK, Konradi AW, Sham HL, Wu J, Peterson BT, Ruslim L, Bova MP, Kholodenko D, Motter RN, Bard F, Santiago P, Ni H, Chian D, Soriano F, Cole T, Brigham EF, Wong K, Zmolek W, Goldbach E, Samant B, Chen L, Zhang H, Nakamura DF, Quinn KP, Yednock TA, Sauer JM.: Design of an orally efficacious hydroxyethylamine (HEA) BACE-1 inhibitor in a preclinical animal model. Bioorg Med Chem Lett, Volume 20 (21), 2010";ChEMBL
MM474911;MM474911;CC(=O)N[C@@H](Cc1cc(F)cc(F)c1)[C@H](O)CNC(C)(C)c1cccc(C(C)(C)C)c1;LDGMEHDJYJLXOB-XZOQPEGZSA-N;432.56;4.2;;;;;MDCK;EMDCK;25;0;"from B to A, <a href=https://www.ebi.ac.uk/chembl/assay_report_card/CHEMBL1274835/  target=_blank>CHEMBL1274835</a>";;;;;;;;;-6.15;;;;;;;;;;;;"Truong AP, Tóth G, Probst GD, Sealy JM, Bowers S, Wone DW, Dressen D, Hom RK, Konradi AW, Sham HL, Wu J, Peterson BT, Ruslim L, Bova MP, Kholodenko D, Motter RN, Bard F, Santiago P, Ni H, Chian D, Soriano F, Cole T, Brigham EF, Wong K, Zmolek W, Goldbach E, Samant B, Chen L, Zhang H, Nakamura DF, Quinn KP, Yednock TA, Sauer JM.: Design of an orally efficacious hydroxyethylamine (HEA) BACE-1 inhibitor in a preclinical animal model. Bioorg Med Chem Lett, Volume 20 (21), 2010";ChEMBL
MM474912;MM474912;CC(=O)N[C@@H](Cc1cc(F)cc(F)c1)[C@H](O)CNC1(c2cccc(-n3cccn3)c2)CC1;FJIMJPFTRLZRAJ-XZOQPEGZSA-N;440.49;2.84;;;;;MDCK;EMDCK;25;0;"from B to A, <a href=https://www.ebi.ac.uk/chembl/assay_report_card/CHEMBL1274835/  target=_blank>CHEMBL1274835</a>";;;;;;;;;-4.84;;;;;;;;;;;;"Truong AP, Tóth G, Probst GD, Sealy JM, Bowers S, Wone DW, Dressen D, Hom RK, Konradi AW, Sham HL, Wu J, Peterson BT, Ruslim L, Bova MP, Kholodenko D, Motter RN, Bard F, Santiago P, Ni H, Chian D, Soriano F, Cole T, Brigham EF, Wong K, Zmolek W, Goldbach E, Samant B, Chen L, Zhang H, Nakamura DF, Quinn KP, Yednock TA, Sauer JM.: Design of an orally efficacious hydroxyethylamine (HEA) BACE-1 inhibitor in a preclinical animal model. Bioorg Med Chem Lett, Volume 20 (21), 2010";ChEMBL
MM474913;MM474913;CC(=O)N[C@@H](Cc1cc(F)cc(F)c1)[C@H](O)CNC1(c2cccc(C3CCOC3)c2)CC1;IROUFPLAOXNCIN-ZJWHSJSFSA-N;444.52;3.16;;;;;MDCK;EMDCK;25;0;"from B to A, <a href=https://www.ebi.ac.uk/chembl/assay_report_card/CHEMBL1274835/  target=_blank>CHEMBL1274835</a>";;;;;;;;;-4.88;;;;;;;;;;;;"Truong AP, Tóth G, Probst GD, Sealy JM, Bowers S, Wone DW, Dressen D, Hom RK, Konradi AW, Sham HL, Wu J, Peterson BT, Ruslim L, Bova MP, Kholodenko D, Motter RN, Bard F, Santiago P, Ni H, Chian D, Soriano F, Cole T, Brigham EF, Wong K, Zmolek W, Goldbach E, Samant B, Chen L, Zhang H, Nakamura DF, Quinn KP, Yednock TA, Sauer JM.: Design of an orally efficacious hydroxyethylamine (HEA) BACE-1 inhibitor in a preclinical animal model. Bioorg Med Chem Lett, Volume 20 (21), 2010";ChEMBL
MM474914;MM474914;C=C(c1cccc(C2(NC[C@@H](O)[C@H](Cc3cc(F)cc(F)c3)NC(C)=O)CC2)c1)C(F)(F)F;PMWZKFRZXLTHEJ-FCHUYYIVSA-N;468.47;4.23;;;;;MDCK;EMDCK;25;0;"from B to A, <a href=https://www.ebi.ac.uk/chembl/assay_report_card/CHEMBL1274835/  target=_blank>CHEMBL1274835</a>";;;;;;;;;-4.99;;;;;;;;;;;;"Truong AP, Tóth G, Probst GD, Sealy JM, Bowers S, Wone DW, Dressen D, Hom RK, Konradi AW, Sham HL, Wu J, Peterson BT, Ruslim L, Bova MP, Kholodenko D, Motter RN, Bard F, Santiago P, Ni H, Chian D, Soriano F, Cole T, Brigham EF, Wong K, Zmolek W, Goldbach E, Samant B, Chen L, Zhang H, Nakamura DF, Quinn KP, Yednock TA, Sauer JM.: Design of an orally efficacious hydroxyethylamine (HEA) BACE-1 inhibitor in a preclinical animal model. Bioorg Med Chem Lett, Volume 20 (21), 2010";ChEMBL
MM474915;MM474915;CC(=O)N[C@@H](Cc1cc(F)cc(F)c1)[C@H](O)CNC1(c2cccc(C(C)(C)CF)c2)CC1;BOKNVVDKNIATDN-XZOQPEGZSA-N;448.53;3.9;;;;;MDCK;EMDCK;25;0;"from B to A, <a href=https://www.ebi.ac.uk/chembl/assay_report_card/CHEMBL1274835/  target=_blank>CHEMBL1274835</a>";;;;;;;;;-4.73;;;;;;;;;;;;"Truong AP, Tóth G, Probst GD, Sealy JM, Bowers S, Wone DW, Dressen D, Hom RK, Konradi AW, Sham HL, Wu J, Peterson BT, Ruslim L, Bova MP, Kholodenko D, Motter RN, Bard F, Santiago P, Ni H, Chian D, Soriano F, Cole T, Brigham EF, Wong K, Zmolek W, Goldbach E, Samant B, Chen L, Zhang H, Nakamura DF, Quinn KP, Yednock TA, Sauer JM.: Design of an orally efficacious hydroxyethylamine (HEA) BACE-1 inhibitor in a preclinical animal model. Bioorg Med Chem Lett, Volume 20 (21), 2010";ChEMBL
MM474916;MM474916;CC(=O)N[C@@H](Cc1cc(F)cc(F)c1)[C@H](O)CNC1(c2cccc(C(C)(C)C(F)F)c2)CC1;SXBWNENFIQGMLK-FCHUYYIVSA-N;466.52;4.19;;;;;MDCK;EMDCK;25;0;"from B to A, <a href=https://www.ebi.ac.uk/chembl/assay_report_card/CHEMBL1274835/  target=_blank>CHEMBL1274835</a>";;;;;;;;;-4.91;;;;;;;;;;;;"Truong AP, Tóth G, Probst GD, Sealy JM, Bowers S, Wone DW, Dressen D, Hom RK, Konradi AW, Sham HL, Wu J, Peterson BT, Ruslim L, Bova MP, Kholodenko D, Motter RN, Bard F, Santiago P, Ni H, Chian D, Soriano F, Cole T, Brigham EF, Wong K, Zmolek W, Goldbach E, Samant B, Chen L, Zhang H, Nakamura DF, Quinn KP, Yednock TA, Sauer JM.: Design of an orally efficacious hydroxyethylamine (HEA) BACE-1 inhibitor in a preclinical animal model. Bioorg Med Chem Lett, Volume 20 (21), 2010";ChEMBL
MM474917;MM474917;CC(=O)N[C@@H](Cc1cc(F)cc(F)c1)[C@H](O)CNC1(c2cccc(C(C)(CF)CF)c2)CC1;SMTZXKMQADBRPC-XZOQPEGZSA-N;466.52;3.85;;;;;MDCK;EMDCK;25;0;"from B to A, <a href=https://www.ebi.ac.uk/chembl/assay_report_card/CHEMBL1274835/  target=_blank>CHEMBL1274835</a>";;;;;;;;;-4.77;;;;;;;;;;;;"Truong AP, Tóth G, Probst GD, Sealy JM, Bowers S, Wone DW, Dressen D, Hom RK, Konradi AW, Sham HL, Wu J, Peterson BT, Ruslim L, Bova MP, Kholodenko D, Motter RN, Bard F, Santiago P, Ni H, Chian D, Soriano F, Cole T, Brigham EF, Wong K, Zmolek W, Goldbach E, Samant B, Chen L, Zhang H, Nakamura DF, Quinn KP, Yednock TA, Sauer JM.: Design of an orally efficacious hydroxyethylamine (HEA) BACE-1 inhibitor in a preclinical animal model. Bioorg Med Chem Lett, Volume 20 (21), 2010";ChEMBL
MM474918;MM474918;CC(=O)N[C@@H](Cc1cc(F)cc(F)c1)[C@H](O)CNC1(c2cccc(C(C)(C)C)c2)CCC1;CQJCMAHTSPVMHW-BJKOFHAPSA-N;444.57;4.34;;;;;MDCK;EMDCK;25;0;"from B to A, <a href=https://www.ebi.ac.uk/chembl/assay_report_card/CHEMBL1274835/  target=_blank>CHEMBL1274835</a>";;;;;;;;;-6.52;;;;;;;;;;;;"Truong AP, Tóth G, Probst GD, Sealy JM, Bowers S, Wone DW, Dressen D, Hom RK, Konradi AW, Sham HL, Wu J, Peterson BT, Ruslim L, Bova MP, Kholodenko D, Motter RN, Bard F, Santiago P, Ni H, Chian D, Soriano F, Cole T, Brigham EF, Wong K, Zmolek W, Goldbach E, Samant B, Chen L, Zhang H, Nakamura DF, Quinn KP, Yednock TA, Sauer JM.: Design of an orally efficacious hydroxyethylamine (HEA) BACE-1 inhibitor in a preclinical animal model. Bioorg Med Chem Lett, Volume 20 (21), 2010";ChEMBL
MM474919;MM474919;CC(=O)N[C@@H](Cc1cc(F)cc(F)c1)[C@H](O)CN[C@]1(c2cccc(C(C)(C)C(F)F)c2)C[C@H]1C;QGKXETIHOAJKQD-LUQKAGKMSA-N;480.55;4.44;;;;;MDCK;EMDCK;25;0;"from B to A, <a href=https://www.ebi.ac.uk/chembl/assay_report_card/CHEMBL1274835/  target=_blank>CHEMBL1274835</a>";;;;;;;;;-5.6;;;;;;;;;;;;"Truong AP, Tóth G, Probst GD, Sealy JM, Bowers S, Wone DW, Dressen D, Hom RK, Konradi AW, Sham HL, Wu J, Peterson BT, Ruslim L, Bova MP, Kholodenko D, Motter RN, Bard F, Santiago P, Ni H, Chian D, Soriano F, Cole T, Brigham EF, Wong K, Zmolek W, Goldbach E, Samant B, Chen L, Zhang H, Nakamura DF, Quinn KP, Yednock TA, Sauer JM.: Design of an orally efficacious hydroxyethylamine (HEA) BACE-1 inhibitor in a preclinical animal model. Bioorg Med Chem Lett, Volume 20 (21), 2010";ChEMBL
MM474939;MM474939;O=C(Nc1cccnn1)N1CCC(=Cc2cccc(Oc3ccc(C(F)(F)F)cn3)c2)CC1;;455.44;5.39;24771824;;;CHEMBL1651534;MDCK;EMDCK;25;0;"from B to A, <a href=https://www.ebi.ac.uk/chembl/assay_report_card/CHEMBL1656908/  target=_blank>CHEMBL1656908</a>";;;;;;;;;-4.69;;;;;;;;;;;;"Johnson DS, Stiff C, Lazerwith SE, Kesten SR, Fay LK, Morris M, Beidler D, Liimatta MB, Smith SE, Dudley DT, Sadagopan N, Bhattachar SN, Kesten SJ, Nomanbhoy TK, Cravatt BF, Ahn K.: Discovery of PF-04457845: A Highly Potent, Orally Bioavailable, and Selective Urea FAAH Inhibitor. ACS Med Chem Lett, Volume 2 (2), 2011";ChEMBL
MM475045;MM475045;COc1cc(Cl)ccc1O[C@@H](c1ccccc1)[C@@H]1CNCCO1;;333.82;3.46;;;;CHEMBL260259;MDCK;EMDCK;25;0;"from B to A, <a href=https://www.ebi.ac.uk/chembl/assay_report_card/CHEMBL932532/  target=_blank>CHEMBL932532</a>";;;;;;;;;-4.46;;;;;;;;;;;;"Fish PV, Deur C, Gan X, Greene K, Hoople D, Mackenny M, Para KS, Reeves K, Ryckmans T, Stiff C, Stobie A, Wakenhut F, Whitlock GA.: Design and synthesis of morpholine derivatives. SAR for dual serotonin & noradrenaline reuptake inhibition. Bioorg Med Chem Lett, Volume 18 (8), 2008";ChEMBL
MM475050;MM475050;Cc1cc(Oc2ccccc2Oc2ccccc2)c(CN(C)C)cn1;;334.42;5.04;44452935;;;CHEMBL270791;MDCK;EMDCK;25;0;"from B to A, <a href=https://www.ebi.ac.uk/chembl/assay_report_card/CHEMBL933947/  target=_blank>CHEMBL933947</a>";;;;;;;;;-4.44;;;;;;;;;;;;"Fish PV, Ryckmans T, Stobie A, Wakenhut F.: [4-(Phenoxy)pyridin-3-yl]methylamines: a new class of selective noradrenaline reuptake inhibitors. Bioorg Med Chem Lett, Volume 18 (6), 2008";ChEMBL
MM475051;MM475051;CNCc1cnc(C)cc1Oc1ccccc1Oc1ccccc1;;320.39;4.69;25022704;;;CHEMBL273208;MDCK;EMDCK;25;0;"from B to A, <a href=https://www.ebi.ac.uk/chembl/assay_report_card/CHEMBL933947/  target=_blank>CHEMBL933947</a>";;;;;;;;;-4.39;;;;;;;;;;;;"Fish PV, Ryckmans T, Stobie A, Wakenhut F.: [4-(Phenoxy)pyridin-3-yl]methylamines: a new class of selective noradrenaline reuptake inhibitors. Bioorg Med Chem Lett, Volume 18 (6), 2008";ChEMBL
MM475052;MM475052;Cc1cc(Oc2ccccc2C(C)C)c(CN(C)C)cn1;;284.4;4.37;44452994;;;CHEMBL403363;MDCK;EMDCK;25;0;"from B to A, <a href=https://www.ebi.ac.uk/chembl/assay_report_card/CHEMBL933947/  target=_blank>CHEMBL933947</a>";;;;;;;;;-4.41;;;;;;;;;;;;"Fish PV, Ryckmans T, Stobie A, Wakenhut F.: [4-(Phenoxy)pyridin-3-yl]methylamines: a new class of selective noradrenaline reuptake inhibitors. Bioorg Med Chem Lett, Volume 18 (6), 2008";ChEMBL
MM474775;MM474775;O=C(C1CC(N2CCN(c3ncccn3)CC2)CN1)N1CC(F)C(F)C1;;366.42;-0.15;44565582;;;CHEMBL472992;MDCK;EMDCK;25;0;"from B to A, <a href=https://www.ebi.ac.uk/chembl/assay_report_card/CHEMBL1022013/  target=_blank>CHEMBL1022013</a>";;;;;;;;;-5.03;;;;;;;;;;;;"Ammirati MJ, Andrews KM, Boyer DD, Brodeur AM, Danley DE, Doran SD, Hulin B, Liu S, McPherson RK, Orena SJ, Parker JC, Polivkova J, Qiu X, Soglia CB, Treadway JL, VanVolkenburg MA, Wilder DC, Piotrowski DW.: (3,3-Difluoro-pyrrolidin-1-yl)-[(2S,4S)-(4-(4-pyrimidin-2-yl-piperazin-1-yl)-pyrrolidin-2-yl]-methanone: a potent, selective, orally active dipeptidyl peptidase IV inhibitor. Bioorg Med Chem Lett, Volume 19 (7), 2009";ChEMBL
MM474776;MM474776;O=C(C1CC(N2CCN(c3ncccn3)CC2)CN1)N1CCC1;;316.41;-0.44;44565584;;;CHEMBL472993;MDCK;EMDCK;25;0;"from B to A, <a href=https://www.ebi.ac.uk/chembl/assay_report_card/CHEMBL1022013/  target=_blank>CHEMBL1022013</a>";;;;;;;;;-5.62;;;;;;;;;;;;"Ammirati MJ, Andrews KM, Boyer DD, Brodeur AM, Danley DE, Doran SD, Hulin B, Liu S, McPherson RK, Orena SJ, Parker JC, Polivkova J, Qiu X, Soglia CB, Treadway JL, VanVolkenburg MA, Wilder DC, Piotrowski DW.: (3,3-Difluoro-pyrrolidin-1-yl)-[(2S,4S)-(4-(4-pyrimidin-2-yl-piperazin-1-yl)-pyrrolidin-2-yl]-methanone: a potent, selective, orally active dipeptidyl peptidase IV inhibitor. Bioorg Med Chem Lett, Volume 19 (7), 2009";ChEMBL
MM474777;MM474777;O=C(C1CC(N2CCN(c3ncccn3)CC2)CN1)N1CC(F)C1;;334.4;-0.49;44565585;;;CHEMBL473188;MDCK;EMDCK;25;0;"from B to A, <a href=https://www.ebi.ac.uk/chembl/assay_report_card/CHEMBL1022013/  target=_blank>CHEMBL1022013</a>";;;;;;;;;-5.19;;;;;;;;;;;;"Ammirati MJ, Andrews KM, Boyer DD, Brodeur AM, Danley DE, Doran SD, Hulin B, Liu S, McPherson RK, Orena SJ, Parker JC, Polivkova J, Qiu X, Soglia CB, Treadway JL, VanVolkenburg MA, Wilder DC, Piotrowski DW.: (3,3-Difluoro-pyrrolidin-1-yl)-[(2S,4S)-(4-(4-pyrimidin-2-yl-piperazin-1-yl)-pyrrolidin-2-yl]-methanone: a potent, selective, orally active dipeptidyl peptidase IV inhibitor. Bioorg Med Chem Lett, Volume 19 (7), 2009";ChEMBL
MM474770;MM474770;CC1(C)Oc2ncnc(N)c2N=C1c1ccc(C23CCC(CC(=O)O)(CC2)CC3)cc1;;420.51;4.42;16202164;;;CHEMBL473384;MDCK;EMDCK;25;0;"from B to A, <a href=https://www.ebi.ac.uk/chembl/assay_report_card/CHEMBL1011626/  target=_blank>CHEMBL1011626</a>";;;;;;;;;-4.59;;;;;;;;;;;;"Birch AM, Birtles S, Buckett LK, Kemmitt PD, Smith GJ, Smith TJ, Turnbull AV, Wang SJ.: Discovery of a potent, selective, and orally efficacious pyrimidinooxazinyl bicyclooctaneacetic acid diacylglycerol acyltransferase-1 inhibitor. J Med Chem, Volume 52 (6), 2009";ChEMBL
MM474778;MM474778;O=C(C1CC(N2CCN(c3ncccn3)CC2)CN1)N1CCCC1;;330.44;-0.05;44565889;;;CHEMBL473418;MDCK;EMDCK;25;0;"from B to A, <a href=https://www.ebi.ac.uk/chembl/assay_report_card/CHEMBL1022013/  target=_blank>CHEMBL1022013</a>";;;;;;;;;-5.13;;;;;;;;;;;;"Ammirati MJ, Andrews KM, Boyer DD, Brodeur AM, Danley DE, Doran SD, Hulin B, Liu S, McPherson RK, Orena SJ, Parker JC, Polivkova J, Qiu X, Soglia CB, Treadway JL, VanVolkenburg MA, Wilder DC, Piotrowski DW.: (3,3-Difluoro-pyrrolidin-1-yl)-[(2S,4S)-(4-(4-pyrimidin-2-yl-piperazin-1-yl)-pyrrolidin-2-yl]-methanone: a potent, selective, orally active dipeptidyl peptidase IV inhibitor. Bioorg Med Chem Lett, Volume 19 (7), 2009";ChEMBL
MM474779;MM474779;O=C(C1CC(N2CCN(c3ncccn3)CC2)CN1)N1CCC(F)C1;;348.43;-0.1;44565890;;;CHEMBL473419;MDCK;EMDCK;25;0;"from B to A, <a href=https://www.ebi.ac.uk/chembl/assay_report_card/CHEMBL1022013/  target=_blank>CHEMBL1022013</a>";;;;;;;;;-5.15;;;;;;;;;;;;"Ammirati MJ, Andrews KM, Boyer DD, Brodeur AM, Danley DE, Doran SD, Hulin B, Liu S, McPherson RK, Orena SJ, Parker JC, Polivkova J, Qiu X, Soglia CB, Treadway JL, VanVolkenburg MA, Wilder DC, Piotrowski DW.: (3,3-Difluoro-pyrrolidin-1-yl)-[(2S,4S)-(4-(4-pyrimidin-2-yl-piperazin-1-yl)-pyrrolidin-2-yl]-methanone: a potent, selective, orally active dipeptidyl peptidase IV inhibitor. Bioorg Med Chem Lett, Volume 19 (7), 2009";ChEMBL
MM474780;MM474780;O=C(C1CC(N2CCN(c3cnccn3)CC2)CN1)N1CCC(F)(F)C1;;366.42;0.2;44565870;;;CHEMBL474409;MDCK;EMDCK;25;0;"from B to A, <a href=https://www.ebi.ac.uk/chembl/assay_report_card/CHEMBL1022013/  target=_blank>CHEMBL1022013</a>";;;;;;;;;-4.98;;;;;;;;;;;;"Ammirati MJ, Andrews KM, Boyer DD, Brodeur AM, Danley DE, Doran SD, Hulin B, Liu S, McPherson RK, Orena SJ, Parker JC, Polivkova J, Qiu X, Soglia CB, Treadway JL, VanVolkenburg MA, Wilder DC, Piotrowski DW.: (3,3-Difluoro-pyrrolidin-1-yl)-[(2S,4S)-(4-(4-pyrimidin-2-yl-piperazin-1-yl)-pyrrolidin-2-yl]-methanone: a potent, selective, orally active dipeptidyl peptidase IV inhibitor. Bioorg Med Chem Lett, Volume 19 (7), 2009";ChEMBL
MM474781;MM474781;O=C(C1CC(N2CCN(c3ccc(C(F)(F)F)cn3)CC2)CN1)N1CCC(F)(F)C1;;433.43;1.82;44565871;;;CHEMBL474410;MDCK;EMDCK;25;0;"from B to A, <a href=https://www.ebi.ac.uk/chembl/assay_report_card/CHEMBL1022013/  target=_blank>CHEMBL1022013</a>";;;;;;;;;-4.94;;;;;;;;;;;;"Ammirati MJ, Andrews KM, Boyer DD, Brodeur AM, Danley DE, Doran SD, Hulin B, Liu S, McPherson RK, Orena SJ, Parker JC, Polivkova J, Qiu X, Soglia CB, Treadway JL, VanVolkenburg MA, Wilder DC, Piotrowski DW.: (3,3-Difluoro-pyrrolidin-1-yl)-[(2S,4S)-(4-(4-pyrimidin-2-yl-piperazin-1-yl)-pyrrolidin-2-yl]-methanone: a potent, selective, orally active dipeptidyl peptidase IV inhibitor. Bioorg Med Chem Lett, Volume 19 (7), 2009";ChEMBL
MM474782;MM474782;O=C([C@@H]1C[C@H](N2CCN(c3ncccn3)CC2)CN1)N1C[C@@H](F)[C@@H](F)C1;;366.42;-0.15;;;;CHEMBL474421;MDCK;EMDCK;25;0;"from B to A, <a href=https://www.ebi.ac.uk/chembl/assay_report_card/CHEMBL1022013/  target=_blank>CHEMBL1022013</a>";;;;;;;;;-5.17;;;;;;;;;;;;"Ammirati MJ, Andrews KM, Boyer DD, Brodeur AM, Danley DE, Doran SD, Hulin B, Liu S, McPherson RK, Orena SJ, Parker JC, Polivkova J, Qiu X, Soglia CB, Treadway JL, VanVolkenburg MA, Wilder DC, Piotrowski DW.: (3,3-Difluoro-pyrrolidin-1-yl)-[(2S,4S)-(4-(4-pyrimidin-2-yl-piperazin-1-yl)-pyrrolidin-2-yl]-methanone: a potent, selective, orally active dipeptidyl peptidase IV inhibitor. Bioorg Med Chem Lett, Volume 19 (7), 2009";ChEMBL
MM474783;MM474783;O=C(C1CC(N2CCN(c3noc4ccccc34)CC2)CN1)N1CCC(F)(F)C1;;405.45;1.55;44565844;;;CHEMBL475246;MDCK;EMDCK;25;0;"from B to A, <a href=https://www.ebi.ac.uk/chembl/assay_report_card/CHEMBL1022013/  target=_blank>CHEMBL1022013</a>";;;;;;;;;-4.95;;;;;;;;;;;;"Ammirati MJ, Andrews KM, Boyer DD, Brodeur AM, Danley DE, Doran SD, Hulin B, Liu S, McPherson RK, Orena SJ, Parker JC, Polivkova J, Qiu X, Soglia CB, Treadway JL, VanVolkenburg MA, Wilder DC, Piotrowski DW.: (3,3-Difluoro-pyrrolidin-1-yl)-[(2S,4S)-(4-(4-pyrimidin-2-yl-piperazin-1-yl)-pyrrolidin-2-yl]-methanone: a potent, selective, orally active dipeptidyl peptidase IV inhibitor. Bioorg Med Chem Lett, Volume 19 (7), 2009";ChEMBL
MM474784;MM474784;N#Cc1cccnc1N1CCN(C2CNC(C(=O)N3CCC(F)(F)C3)C2)CC1;;390.44;0.67;44565872;;;CHEMBL514011;MDCK;EMDCK;25;0;"from B to A, <a href=https://www.ebi.ac.uk/chembl/assay_report_card/CHEMBL1022013/  target=_blank>CHEMBL1022013</a>";;;;;;;;;-4.87;;;;;;;;;;;;"Ammirati MJ, Andrews KM, Boyer DD, Brodeur AM, Danley DE, Doran SD, Hulin B, Liu S, McPherson RK, Orena SJ, Parker JC, Polivkova J, Qiu X, Soglia CB, Treadway JL, VanVolkenburg MA, Wilder DC, Piotrowski DW.: (3,3-Difluoro-pyrrolidin-1-yl)-[(2S,4S)-(4-(4-pyrimidin-2-yl-piperazin-1-yl)-pyrrolidin-2-yl]-methanone: a potent, selective, orally active dipeptidyl peptidase IV inhibitor. Bioorg Med Chem Lett, Volume 19 (7), 2009";ChEMBL
MM474785;MM474785;O=C([C@@H]1C[C@H](N2CCN(c3ncccn3)CC2)CN1)N1CC[C@H](F)C1;;348.43;-0.1;;;;CHEMBL514623;MDCK;EMDCK;25;0;"from B to A, <a href=https://www.ebi.ac.uk/chembl/assay_report_card/CHEMBL1022013/  target=_blank>CHEMBL1022013</a>";;;;;;;;;-5.22;;;;;;;;;;;;"Ammirati MJ, Andrews KM, Boyer DD, Brodeur AM, Danley DE, Doran SD, Hulin B, Liu S, McPherson RK, Orena SJ, Parker JC, Polivkova J, Qiu X, Soglia CB, Treadway JL, VanVolkenburg MA, Wilder DC, Piotrowski DW.: (3,3-Difluoro-pyrrolidin-1-yl)-[(2S,4S)-(4-(4-pyrimidin-2-yl-piperazin-1-yl)-pyrrolidin-2-yl]-methanone: a potent, selective, orally active dipeptidyl peptidase IV inhibitor. Bioorg Med Chem Lett, Volume 19 (7), 2009";ChEMBL
MM474786;MM474786;O=C(C1CC(N2CCN(c3ncccn3)CC2)CN1)N1CCC(F)(F)C1;QWEWGXUTRTXFRF-KBPBESRZSA-N;366.42;0.2;11516136;;;CHEMBL515387;MDCK;EMDCK;25;0;"from B to A, <a href=https://www.ebi.ac.uk/chembl/assay_report_card/CHEMBL1022013/  target=_blank>CHEMBL1022013</a>";;;;;;;;;-4.96;;;;;;;;;;;;"Ammirati MJ, Andrews KM, Boyer DD, Brodeur AM, Danley DE, Doran SD, Hulin B, Liu S, McPherson RK, Orena SJ, Parker JC, Polivkova J, Qiu X, Soglia CB, Treadway JL, VanVolkenburg MA, Wilder DC, Piotrowski DW.: (3,3-Difluoro-pyrrolidin-1-yl)-[(2S,4S)-(4-(4-pyrimidin-2-yl-piperazin-1-yl)-pyrrolidin-2-yl]-methanone: a potent, selective, orally active dipeptidyl peptidase IV inhibitor. Bioorg Med Chem Lett, Volume 19 (7), 2009";ChEMBL
MM474787;MM474787;O=C(C1CC(N2CCN(c3ncccn3)CC2)CN1)N1CC(F)(F)C(F)(F)C1;;402.4;0.44;44565583;;;CHEMBL515869;MDCK;EMDCK;25;0;"from B to A, <a href=https://www.ebi.ac.uk/chembl/assay_report_card/CHEMBL1022013/  target=_blank>CHEMBL1022013</a>";;;;;;;;;-4.94;;;;;;;;;;;;"Ammirati MJ, Andrews KM, Boyer DD, Brodeur AM, Danley DE, Doran SD, Hulin B, Liu S, McPherson RK, Orena SJ, Parker JC, Polivkova J, Qiu X, Soglia CB, Treadway JL, VanVolkenburg MA, Wilder DC, Piotrowski DW.: (3,3-Difluoro-pyrrolidin-1-yl)-[(2S,4S)-(4-(4-pyrimidin-2-yl-piperazin-1-yl)-pyrrolidin-2-yl]-methanone: a potent, selective, orally active dipeptidyl peptidase IV inhibitor. Bioorg Med Chem Lett, Volume 19 (7), 2009";ChEMBL
MM474813;MM474813;CC(=O)N[C@@H](Cc1cc(F)cc(F)c1)[C@H](O)CNC1(c2cccc(C(C)(C)C)c2)CCOCC1;;474.59;3.97;;;;CHEMBL570556;MDCK;EMDCK;25;0;"from B to A, <a href=https://www.ebi.ac.uk/chembl/assay_report_card/CHEMBL1274835/  target=_blank>CHEMBL1274835</a>";;;;;;;;;-5.09;;;;;;;;;;;;"Truong AP, Tóth G, Probst GD, Sealy JM, Bowers S, Wone DW, Dressen D, Hom RK, Konradi AW, Sham HL, Wu J, Peterson BT, Ruslim L, Bova MP, Kholodenko D, Motter RN, Bard F, Santiago P, Ni H, Chian D, Soriano F, Cole T, Brigham EF, Wong K, Zmolek W, Goldbach E, Samant B, Chen L, Zhang H, Nakamura DF, Quinn KP, Yednock TA, Sauer JM.: Design of an orally efficacious hydroxyethylamine (HEA) BACE-1 inhibitor in a preclinical animal model. Bioorg Med Chem Lett, Volume 20 (21), 2010";ChEMBL
MM474815;MM474815;CC(=O)NC(Cc1cc(F)cc(F)c1)C(O)CNC1(c2cccc(C(C)(C)C)c2)CCCCC1;;472.62;5.12;11754571;;;CHEMBL571860;MDCK;EMDCK;25;0;"from B to A, <a href=https://www.ebi.ac.uk/chembl/assay_report_card/CHEMBL1274835/  target=_blank>CHEMBL1274835</a>";;;;;;;;;-6.15;;;;;;;;;;;;"Truong AP, Tóth G, Probst GD, Sealy JM, Bowers S, Wone DW, Dressen D, Hom RK, Konradi AW, Sham HL, Wu J, Peterson BT, Ruslim L, Bova MP, Kholodenko D, Motter RN, Bard F, Santiago P, Ni H, Chian D, Soriano F, Cole T, Brigham EF, Wong K, Zmolek W, Goldbach E, Samant B, Chen L, Zhang H, Nakamura DF, Quinn KP, Yednock TA, Sauer JM.: Design of an orally efficacious hydroxyethylamine (HEA) BACE-1 inhibitor in a preclinical animal model. Bioorg Med Chem Lett, Volume 20 (21), 2010";ChEMBL
MM474920;MM474920;CC(=O)NC(Cc1cc(F)cc(F)c1)C(O)CNC1(c2cccc(-n3cccn3)c2)CCCCC1;QXNFPOMRKODYSK-IZZNHLLZSA-N;482.58;4.01;45486979;;;CHEMBL572081;MDCK;EMDCK;25;0;"from B to A, <a href=https://www.ebi.ac.uk/chembl/assay_report_card/CHEMBL1274835/  target=_blank>CHEMBL1274835</a>";;;;;;;;;-5.14;;;;;;;;;;;;"Truong AP, Tóth G, Probst GD, Sealy JM, Bowers S, Wone DW, Dressen D, Hom RK, Konradi AW, Sham HL, Wu J, Peterson BT, Ruslim L, Bova MP, Kholodenko D, Motter RN, Bard F, Santiago P, Ni H, Chian D, Soriano F, Cole T, Brigham EF, Wong K, Zmolek W, Goldbach E, Samant B, Chen L, Zhang H, Nakamura DF, Quinn KP, Yednock TA, Sauer JM.: Design of an orally efficacious hydroxyethylamine (HEA) BACE-1 inhibitor in a preclinical animal model. Bioorg Med Chem Lett, Volume 20 (21), 2010";ChEMBL
MM474860;MM474860;O=C(c1cccc(Cl)c1Cl)N(C1=CCOC=C1)C1CCNC1;;339.22;3.23;46882857;;;CHEMBL1079263;MDCK;EMDCK;25;0;"from B to A, MDCK-MDR, <a href=https://www.ebi.ac.uk/chembl/assay_report_card/CHEMBL1112307/  target=_blank>CHEMBL1112307</a>";;;;;;;;;-4.7;;;;;;;;;;;;"Wakenhut F, Allan GA, Fish PV, Fray MJ, Harrison AC, McCoy R, Phillips SC, Ryckmans T, Stobie A, Westbrook D, Westbrook SL, Whitlock GA.: N-[(3S)-Pyrrolidin-3-yl]benzamides as novel dual serotonin and noradrenaline reuptake inhibitors: impact of small structural modifications on P-gp recognition and CNS penetration. Bioorg Med Chem Lett, Volume 19 (17), 2009";ChEMBL
MM474861;MM474861;CC(C)CN(C(=O)c1cccc(Cl)c1Cl)C1CCNC1;;315.24;3.45;11392888;;;CHEMBL1080787;MDCK;EMDCK;25;0;"from B to A, MDCK-MDR, <a href=https://www.ebi.ac.uk/chembl/assay_report_card/CHEMBL1112307/  target=_blank>CHEMBL1112307</a>";;;;;;;;;-4.37;;;;;;;;;;;;"Wakenhut F, Allan GA, Fish PV, Fray MJ, Harrison AC, McCoy R, Phillips SC, Ryckmans T, Stobie A, Westbrook D, Westbrook SL, Whitlock GA.: N-[(3S)-Pyrrolidin-3-yl]benzamides as novel dual serotonin and noradrenaline reuptake inhibitors: impact of small structural modifications on P-gp recognition and CNS penetration. Bioorg Med Chem Lett, Volume 19 (17), 2009";ChEMBL
MM474862;MM474862;O=C(c1cccc(Cl)c1Cl)N(C1CCCC1)C1CCNC1;;327.26;3.74;23582127;;;CHEMBL1080968;MDCK;EMDCK;25;0;"from B to A, MDCK-MDR, <a href=https://www.ebi.ac.uk/chembl/assay_report_card/CHEMBL1112307/  target=_blank>CHEMBL1112307</a>";;;;;;;;;-4.19;;;;;;;;;;;;"Wakenhut F, Allan GA, Fish PV, Fray MJ, Harrison AC, McCoy R, Phillips SC, Ryckmans T, Stobie A, Westbrook D, Westbrook SL, Whitlock GA.: N-[(3S)-Pyrrolidin-3-yl]benzamides as novel dual serotonin and noradrenaline reuptake inhibitors: impact of small structural modifications on P-gp recognition and CNS penetration. Bioorg Med Chem Lett, Volume 19 (17), 2009";ChEMBL
MM474884;MM474884;C/C=C/C[C@@H](C)[C@@H](O)[C@H]1C(=O)N[C@@H](CC)C(=O)N(C)[C@H](SCCN(C)C)C(=O)N(C)[C@@H](CC(C)(C)O)C(=O)N[C@@H](C(C)C)C(=O)N(C)[C@@H](CC(C)C)C(=O)N[C@@H](C)C(=O)N[C@H](C)C(=O)N(C)[C@@H](CC(C)C)C(=O)N(C)[C@@H](CC(C)C)C(=O)N(C)[C@@H](C(C)C)C(=O)N1C;;1321.82;3;;;;CHEMBL1269597;MDCK;EMDCK;25;0;"from B to A, MDCK-MDR, <a href=https://www.ebi.ac.uk/chembl/assay_report_card/CHEMBL1216206/  target=_blank>CHEMBL1216206</a>";;;;;;;;;-5.01;;;;;;;;;;;;"Hopkins S, Scorneaux B, Huang Z, Murray MG, Wring S, Smitley C, Harris R, Erdmann F, Fischer G, Ribeill Y.: SCY-635, a novel nonimmunosuppressive analog of cyclosporine that exhibits potent inhibition of hepatitis C virus RNA replication in vitro. Antimicrob Agents Chemother, Volume 54 (2), 2010";ChEMBL
MM474884;MM474884;C/C=C/C[C@@H](C)[C@@H](O)[C@H]1C(=O)N[C@@H](CC)C(=O)N(C)[C@H](SCCN(C)C)C(=O)N(C)[C@@H](CC(C)(C)O)C(=O)N[C@@H](C(C)C)C(=O)N(C)[C@@H](CC(C)C)C(=O)N[C@@H](C)C(=O)N[C@H](C)C(=O)N(C)[C@@H](CC(C)C)C(=O)N(C)[C@@H](CC(C)C)C(=O)N(C)[C@@H](C(C)C)C(=O)N1C;;1321.82;3;;;;CHEMBL1269597;MDCK;EMDCK;25;0;"from B to A, MDCK-MDR, <a href=https://www.ebi.ac.uk/chembl/assay_report_card/CHEMBL1216207/  target=_blank>CHEMBL1216207</a>";;;;;;;;;-5.47;;;;;;;;;;;;"Hopkins S, Scorneaux B, Huang Z, Murray MG, Wring S, Smitley C, Harris R, Erdmann F, Fischer G, Ribeill Y.: SCY-635, a novel nonimmunosuppressive analog of cyclosporine that exhibits potent inhibition of hepatitis C virus RNA replication in vitro. Antimicrob Agents Chemother, Volume 54 (2), 2010";ChEMBL
MM474884;MM474884;C/C=C/C[C@@H](C)[C@@H](O)[C@H]1C(=O)N[C@@H](CC)C(=O)N(C)[C@H](SCCN(C)C)C(=O)N(C)[C@@H](CC(C)(C)O)C(=O)N[C@@H](C(C)C)C(=O)N(C)[C@@H](CC(C)C)C(=O)N[C@@H](C)C(=O)N[C@H](C)C(=O)N(C)[C@@H](CC(C)C)C(=O)N(C)[C@@H](CC(C)C)C(=O)N(C)[C@@H](C(C)C)C(=O)N1C;;1321.82;3;;;;CHEMBL1269597;MDCK;EMDCK;25;0;"from B to A, MDCK-MDR, <a href=https://www.ebi.ac.uk/chembl/assay_report_card/CHEMBL1216208/  target=_blank>CHEMBL1216208</a>";;;;;;;;;-5.91;;;;;;;;;;;;"Hopkins S, Scorneaux B, Huang Z, Murray MG, Wring S, Smitley C, Harris R, Erdmann F, Fischer G, Ribeill Y.: SCY-635, a novel nonimmunosuppressive analog of cyclosporine that exhibits potent inhibition of hepatitis C virus RNA replication in vitro. Antimicrob Agents Chemother, Volume 54 (2), 2010";ChEMBL
MM474884;MM474884;C/C=C/C[C@@H](C)[C@@H](O)[C@H]1C(=O)N[C@@H](CC)C(=O)N(C)[C@H](SCCN(C)C)C(=O)N(C)[C@@H](CC(C)(C)O)C(=O)N[C@@H](C(C)C)C(=O)N(C)[C@@H](CC(C)C)C(=O)N[C@@H](C)C(=O)N[C@H](C)C(=O)N(C)[C@@H](CC(C)C)C(=O)N(C)[C@@H](CC(C)C)C(=O)N(C)[C@@H](C(C)C)C(=O)N1C;;1321.82;3;;;;CHEMBL1269597;MDCK;EMDCK;25;0;"from B to A, MDCK-MDR, <a href=https://www.ebi.ac.uk/chembl/assay_report_card/CHEMBL1216209/  target=_blank>CHEMBL1216209</a>";;;;;;;;;-5.51;;;;;;;;;;;;"Hopkins S, Scorneaux B, Huang Z, Murray MG, Wring S, Smitley C, Harris R, Erdmann F, Fischer G, Ribeill Y.: SCY-635, a novel nonimmunosuppressive analog of cyclosporine that exhibits potent inhibition of hepatitis C virus RNA replication in vitro. Antimicrob Agents Chemother, Volume 54 (2), 2010";ChEMBL
MM474972;MM474972;COc1cc(CC(C)N)c(OC)cc1I;;321.16;2.2;9840090;;;CHEMBL134519;MDCK;EMDCK;25;0;"from B to A, MDCK-MDR, <a href=https://www.ebi.ac.uk/chembl/assay_report_card/CHEMBL861743/  target=_blank>CHEMBL861743</a>";;;;;;;;;-4.63;;;;;;;;;;;;"May JA, Dantanarayana AP, Zinke PW, McLaughlin MA, Sharif NA.: 1-((S)-2-aminopropyl)-1H-indazol-6-ol: a potent peripherally acting 5-HT2 receptor agonist with ocular hypotensive activity. J Med Chem, Volume 49 (1), 2006";ChEMBL
MM474972;MM474972;COc1cc(CC(C)N)c(OC)cc1I;;321.16;2.2;9840090;;;CHEMBL134519;MDCK;EMDCK;25;0;"from B to A, MDCK-MDR, <a href=https://www.ebi.ac.uk/chembl/assay_report_card/CHEMBL861799/  target=_blank>CHEMBL861799</a>";;;;;;;;;-4.72;;;;;;;;;;;;"May JA, Dantanarayana AP, Zinke PW, McLaughlin MA, Sharif NA.: 1-((S)-2-aminopropyl)-1H-indazol-6-ol: a potent peripherally acting 5-HT2 receptor agonist with ocular hypotensive activity. J Med Chem, Volume 49 (1), 2006";ChEMBL
"Cyclosporine A";MM00349;CC=CCC(C)C(O)C1C(=O)NC(CC)C(=O)N(C)CC(=O)N(C)C(CC(C)C)C(=O)NC(C(C)C)C(=O)N(C)C(CC(C)C)C(=O)NC(C)C(=O)NC(C)C(=O)N(C)C(CC(C)C)C(=O)N(C)C(CC(C)C)C(=O)N(C)C(C(C)C)C(=O)N1C;PMATZTZNYRCHOR-UHFFFAOYSA-N;1202.64;3.27;5284373;DB00091;;CHEMBL160;MDCK;EMDCK;25;0;"from B to A, MDCK-MDR, <a href=https://www.ebi.ac.uk/chembl/assay_report_card/CHEMBL1216207/  target=_blank>CHEMBL1216207</a>";;;;;;;;;-6.03;;;;;;;;;;;;"Hopkins S, Scorneaux B, Huang Z, Murray MG, Wring S, Smitley C, Harris R, Erdmann F, Fischer G, Ribeill Y.: SCY-635, a novel nonimmunosuppressive analog of cyclosporine that exhibits potent inhibition of hepatitis C virus RNA replication in vitro. Antimicrob Agents Chemother, Volume 54 (2), 2010";ChEMBL
"Cyclosporine A";MM00349;CC=CCC(C)C(O)C1C(=O)NC(CC)C(=O)N(C)CC(=O)N(C)C(CC(C)C)C(=O)NC(C(C)C)C(=O)N(C)C(CC(C)C)C(=O)NC(C)C(=O)NC(C)C(=O)N(C)C(CC(C)C)C(=O)N(C)C(CC(C)C)C(=O)N(C)C(C(C)C)C(=O)N1C;PMATZTZNYRCHOR-UHFFFAOYSA-N;1202.64;3.27;5284373;DB00091;;CHEMBL160;MDCK;EMDCK;25;0;"from B to A, MDCK-MDR, <a href=https://www.ebi.ac.uk/chembl/assay_report_card/CHEMBL1216209/  target=_blank>CHEMBL1216209</a>";;;;;;;;;-4.35;;;;;;;;;;;;"Hopkins S, Scorneaux B, Huang Z, Murray MG, Wring S, Smitley C, Harris R, Erdmann F, Fischer G, Ribeill Y.: SCY-635, a novel nonimmunosuppressive analog of cyclosporine that exhibits potent inhibition of hepatitis C virus RNA replication in vitro. Antimicrob Agents Chemother, Volume 54 (2), 2010";ChEMBL
MM474973;MM474973;CC(N)Cn1ncc2ccc(O)c(F)c21;;209.22;1.23;135399866;;;CHEMBL197653;MDCK;EMDCK;25;0;"from B to A, MDCK-MDR, <a href=https://www.ebi.ac.uk/chembl/assay_report_card/CHEMBL861743/  target=_blank>CHEMBL861743</a>";;;;;;;;;-5.78;;;;;;;;;;;;"May JA, Dantanarayana AP, Zinke PW, McLaughlin MA, Sharif NA.: 1-((S)-2-aminopropyl)-1H-indazol-6-ol: a potent peripherally acting 5-HT2 receptor agonist with ocular hypotensive activity. J Med Chem, Volume 49 (1), 2006";ChEMBL
MM474973;MM474973;CC(N)Cn1ncc2ccc(O)c(F)c21;;209.22;1.23;135399866;;;CHEMBL197653;MDCK;EMDCK;25;0;"from B to A, MDCK-MDR, <a href=https://www.ebi.ac.uk/chembl/assay_report_card/CHEMBL861799/  target=_blank>CHEMBL861799</a>";;;;;;;;;-5.85;;;;;;;;;;;;"May JA, Dantanarayana AP, Zinke PW, McLaughlin MA, Sharif NA.: 1-((S)-2-aminopropyl)-1H-indazol-6-ol: a potent peripherally acting 5-HT2 receptor agonist with ocular hypotensive activity. J Med Chem, Volume 49 (1), 2006";ChEMBL
MM474974;MM474974;NCCn1ncc2ccc(O)cc21;;177.21;0.7;135520431;;;CHEMBL199385;MDCK;EMDCK;25;0;"from B to A, MDCK-MDR, <a href=https://www.ebi.ac.uk/chembl/assay_report_card/CHEMBL861743/  target=_blank>CHEMBL861743</a>";;;;;;;;;-6.22;;;;;;;;;;;;"May JA, Dantanarayana AP, Zinke PW, McLaughlin MA, Sharif NA.: 1-((S)-2-aminopropyl)-1H-indazol-6-ol: a potent peripherally acting 5-HT2 receptor agonist with ocular hypotensive activity. J Med Chem, Volume 49 (1), 2006";ChEMBL
MM474974;MM474974;NCCn1ncc2ccc(O)cc21;;177.21;0.7;135520431;;;CHEMBL199385;MDCK;EMDCK;25;0;"from B to A, MDCK-MDR, <a href=https://www.ebi.ac.uk/chembl/assay_report_card/CHEMBL861799/  target=_blank>CHEMBL861799</a>";;;;;;;;;-6.51;;;;;;;;;;;;"May JA, Dantanarayana AP, Zinke PW, McLaughlin MA, Sharif NA.: 1-((S)-2-aminopropyl)-1H-indazol-6-ol: a potent peripherally acting 5-HT2 receptor agonist with ocular hypotensive activity. J Med Chem, Volume 49 (1), 2006";ChEMBL
MM474975;MM474975;COc1ccc2cnn(CC(C)N)c2c1;;205.26;1.39;11708275;;;CHEMBL199775;MDCK;EMDCK;25;0;"from B to A, MDCK-MDR, <a href=https://www.ebi.ac.uk/chembl/assay_report_card/CHEMBL861743/  target=_blank>CHEMBL861743</a>";;;;;;;;;-4.71;;;;;;;;;;;;"May JA, Dantanarayana AP, Zinke PW, McLaughlin MA, Sharif NA.: 1-((S)-2-aminopropyl)-1H-indazol-6-ol: a potent peripherally acting 5-HT2 receptor agonist with ocular hypotensive activity. J Med Chem, Volume 49 (1), 2006";ChEMBL
MM474975;MM474975;COc1ccc2cnn(CC(C)N)c2c1;;205.26;1.39;11708275;;;CHEMBL199775;MDCK;EMDCK;25;0;"from B to A, MDCK-MDR, <a href=https://www.ebi.ac.uk/chembl/assay_report_card/CHEMBL861799/  target=_blank>CHEMBL861799</a>";;;;;;;;;-4.77;;;;;;;;;;;;"May JA, Dantanarayana AP, Zinke PW, McLaughlin MA, Sharif NA.: 1-((S)-2-aminopropyl)-1H-indazol-6-ol: a potent peripherally acting 5-HT2 receptor agonist with ocular hypotensive activity. J Med Chem, Volume 49 (1), 2006";ChEMBL
MM474976;MM474976;Cc1c(O)ccc2cnn(CC(C)N)c12;;205.26;1.4;135414348;;;CHEMBL200104;MDCK;EMDCK;25;0;"from B to A, MDCK-MDR, <a href=https://www.ebi.ac.uk/chembl/assay_report_card/CHEMBL861743/  target=_blank>CHEMBL861743</a>";;;;;;;;;-5.51;;;;;;;;;;;;"May JA, Dantanarayana AP, Zinke PW, McLaughlin MA, Sharif NA.: 1-((S)-2-aminopropyl)-1H-indazol-6-ol: a potent peripherally acting 5-HT2 receptor agonist with ocular hypotensive activity. J Med Chem, Volume 49 (1), 2006";ChEMBL
MM474976;MM474976;Cc1c(O)ccc2cnn(CC(C)N)c12;;205.26;1.4;135414348;;;CHEMBL200104;MDCK;EMDCK;25;0;"from B to A, MDCK-MDR, <a href=https://www.ebi.ac.uk/chembl/assay_report_card/CHEMBL861799/  target=_blank>CHEMBL861799</a>";;;;;;;;;-5.78;;;;;;;;;;;;"May JA, Dantanarayana AP, Zinke PW, McLaughlin MA, Sharif NA.: 1-((S)-2-aminopropyl)-1H-indazol-6-ol: a potent peripherally acting 5-HT2 receptor agonist with ocular hypotensive activity. J Med Chem, Volume 49 (1), 2006";ChEMBL
MM474977;MM474977;CC(N)Cn1ncc2ccc(O)c(I)c21;;317.13;1.69;135427931;;;CHEMBL201132;MDCK;EMDCK;25;0;"from B to A, MDCK-MDR, <a href=https://www.ebi.ac.uk/chembl/assay_report_card/CHEMBL861743/  target=_blank>CHEMBL861743</a>";;;;;;;;;-5.46;;;;;;;;;;;;"May JA, Dantanarayana AP, Zinke PW, McLaughlin MA, Sharif NA.: 1-((S)-2-aminopropyl)-1H-indazol-6-ol: a potent peripherally acting 5-HT2 receptor agonist with ocular hypotensive activity. J Med Chem, Volume 49 (1), 2006";ChEMBL
MM474977;MM474977;CC(N)Cn1ncc2ccc(O)c(I)c21;;317.13;1.69;135427931;;;CHEMBL201132;MDCK;EMDCK;25;0;"from B to A, MDCK-MDR, <a href=https://www.ebi.ac.uk/chembl/assay_report_card/CHEMBL861799/  target=_blank>CHEMBL861799</a>";;;;;;;;;-5.6;;;;;;;;;;;;"May JA, Dantanarayana AP, Zinke PW, McLaughlin MA, Sharif NA.: 1-((S)-2-aminopropyl)-1H-indazol-6-ol: a potent peripherally acting 5-HT2 receptor agonist with ocular hypotensive activity. J Med Chem, Volume 49 (1), 2006";ChEMBL
MM475006;MM475006;COC(=O)CNC(=O)OC1C(=O)C2(C)C(O)CC3OCC3(OC(C)=O)C2C(OC(=O)c2ccccc2)C2(O)CC(OC(=O)C(O)C(NC(=O)c3ccccc3)c3ccccc3)C(C)=C1C2(C)C;ILLIGKXYRFVGHQ-DNCPDDFDSA-N;926.97;3.07;44432099;;;CHEMBL232393;MDCK;EMDCK;25;0;"from B to A, MDCK-MDR, <a href=https://www.ebi.ac.uk/chembl/assay_report_card/CHEMBL896323/  target=_blank>CHEMBL896323</a>";;;;;;;;;-5.47;;;;;;;;;;;;"Ballatore C, Hyde E, Deiches RF, Lee VM, Trojanowski JQ, Huryn D, Smith AB.: Paclitaxel C-10 carbamates: potential candidates for the treatment of neurodegenerative tauopathies. Bioorg Med Chem Lett, Volume 17 (13), 2007";ChEMBL
MM474998;MM474998;CC(=O)OC12COC1CC(O)C1(C)C(=O)C(OC(=O)NCC(=O)N(C)C)C3=C(C)C(OC(=O)C(O)C(NC(=O)c4ccccc4)c4ccccc4)CC(O)(C(OC(=O)c4ccccc4)C21)C3(C)C;;940.01;2.99;44432103;;;CHEMBL232772;MDCK;EMDCK;25;0;"from B to A, MDCK-MDR, <a href=https://www.ebi.ac.uk/chembl/assay_report_card/CHEMBL896323/  target=_blank>CHEMBL896323</a>";;;;;;;;;-6.1;;;;;;;;;;;;"Ballatore C, Hyde E, Deiches RF, Lee VM, Trojanowski JQ, Huryn D, Smith AB.: Paclitaxel C-10 carbamates: potential candidates for the treatment of neurodegenerative tauopathies. Bioorg Med Chem Lett, Volume 17 (13), 2007";ChEMBL
MM474999;MM474999;CC(=O)OC12COC1CC(O)C1(C)C(=O)C(OC(=O)CCC(=O)O)C3=C(C)C(OC(=O)C(O)C(NC(=O)c4ccccc4)c4ccccc4)CC(O)(C(OC(=O)c4ccccc4)C21)C3(C)C;;911.95;3.58;15942416;;;CHEMBL238121;MDCK;EMDCK;25;0;"from B to A, MDCK-MDR, <a href=https://www.ebi.ac.uk/chembl/assay_report_card/CHEMBL896323/  target=_blank>CHEMBL896323</a>";;;;;;;;;-7;;;;;;;;;;;;"Ballatore C, Hyde E, Deiches RF, Lee VM, Trojanowski JQ, Huryn D, Smith AB.: Paclitaxel C-10 carbamates: potential candidates for the treatment of neurodegenerative tauopathies. Bioorg Med Chem Lett, Volume 17 (13), 2007";ChEMBL
MM474771;MM474771;CS(=O)(=O)Nc1c(Cl)ccc2c1CCCC2c1ncc[nH]1;;325.82;2.9;25066019;;;CHEMBL256982;MDCK;EMDCK;25;0;"from B to A, MDCK-MDR, <a href=https://www.ebi.ac.uk/chembl/assay_report_card/CHEMBL1015852/  target=_blank>CHEMBL1015852</a>";;;;;;;;;-4.54;;;;;;;;;;;;"Whitlock GA, Brennan PE, Roberts LR, Stobie A.: Potent and selective alpha1A adrenoceptor partial agonists--novel imidazole frameworks. Bioorg Med Chem Lett, Volume 19 (11), 2009";ChEMBL
MM475000;MM475000;CC(=O)OC12COC1CC(O)C1(C)C(=O)C(OC(=O)N3CCOCC3)C3=C(C)C(OC(=O)C(O)C(NC(=O)c4ccccc4)c4ccccc4)CC(O)(C(OC(=O)c4ccccc4)C21)C3(C)C;;925;3.64;44432116;;;CHEMBL269298;MDCK;EMDCK;25;0;"from B to A, MDCK-MDR, <a href=https://www.ebi.ac.uk/chembl/assay_report_card/CHEMBL896323/  target=_blank>CHEMBL896323</a>";;;;;;;;;-4.65;;;;;;;;;;;;"Ballatore C, Hyde E, Deiches RF, Lee VM, Trojanowski JQ, Huryn D, Smith AB.: Paclitaxel C-10 carbamates: potential candidates for the treatment of neurodegenerative tauopathies. Bioorg Med Chem Lett, Volume 17 (13), 2007";ChEMBL
MM475001;MM475001;CC(=O)OC12COC1CC(O)C1(C)C(=O)C(O)C3=C(C)C(OC(=O)C(O)C(NC(=O)c4ccccc4)c4ccccc4)CC(O)(C(OC(=O)c4ccccc4)C21)C3(C)C;;811.88;3.16;155831;;;CHEMBL302324;MDCK;EMDCK;25;0;"from B to A, MDCK-MDR, <a href=https://www.ebi.ac.uk/chembl/assay_report_card/CHEMBL896323/  target=_blank>CHEMBL896323</a>";;;;;;;;;-5.29;;;;;;;;;;;;"Ballatore C, Hyde E, Deiches RF, Lee VM, Trojanowski JQ, Huryn D, Smith AB.: Paclitaxel C-10 carbamates: potential candidates for the treatment of neurodegenerative tauopathies. Bioorg Med Chem Lett, Volume 17 (13), 2007";ChEMBL
MM474978;MM474978;C[C@H](N)Cn1ncc2ccc(O)cc21;;191.23;1.09;;;;CHEMBL371300;MDCK;EMDCK;25;0;"from B to A, MDCK-MDR, <a href=https://www.ebi.ac.uk/chembl/assay_report_card/CHEMBL861743/  target=_blank>CHEMBL861743</a>";;;;;;;;;-6.06;;;;;;;;;;;;"May JA, Dantanarayana AP, Zinke PW, McLaughlin MA, Sharif NA.: 1-((S)-2-aminopropyl)-1H-indazol-6-ol: a potent peripherally acting 5-HT2 receptor agonist with ocular hypotensive activity. J Med Chem, Volume 49 (1), 2006";ChEMBL
MM474978;MM474978;C[C@H](N)Cn1ncc2ccc(O)cc21;;191.23;1.09;;;;CHEMBL371300;MDCK;EMDCK;25;0;"from B to A, MDCK-MDR, <a href=https://www.ebi.ac.uk/chembl/assay_report_card/CHEMBL861799/  target=_blank>CHEMBL861799</a>";;;;;;;;;-6.24;;;;;;;;;;;;"May JA, Dantanarayana AP, Zinke PW, McLaughlin MA, Sharif NA.: 1-((S)-2-aminopropyl)-1H-indazol-6-ol: a potent peripherally acting 5-HT2 receptor agonist with ocular hypotensive activity. J Med Chem, Volume 49 (1), 2006";ChEMBL
MM474979;MM474979;CC(N)Cn1ncc2ccc(O)c(Cl)c21;;225.68;1.74;135509961;;;CHEMBL373245;MDCK;EMDCK;25;0;"from B to A, MDCK-MDR, <a href=https://www.ebi.ac.uk/chembl/assay_report_card/CHEMBL861743/  target=_blank>CHEMBL861743</a>";;;;;;;;;-5.31;;;;;;;;;;;;"May JA, Dantanarayana AP, Zinke PW, McLaughlin MA, Sharif NA.: 1-((S)-2-aminopropyl)-1H-indazol-6-ol: a potent peripherally acting 5-HT2 receptor agonist with ocular hypotensive activity. J Med Chem, Volume 49 (1), 2006";ChEMBL
MM474979;MM474979;CC(N)Cn1ncc2ccc(O)c(Cl)c21;;225.68;1.74;135509961;;;CHEMBL373245;MDCK;EMDCK;25;0;"from B to A, MDCK-MDR, <a href=https://www.ebi.ac.uk/chembl/assay_report_card/CHEMBL861799/  target=_blank>CHEMBL861799</a>";;;;;;;;;-5.49;;;;;;;;;;;;"May JA, Dantanarayana AP, Zinke PW, McLaughlin MA, Sharif NA.: 1-((S)-2-aminopropyl)-1H-indazol-6-ol: a potent peripherally acting 5-HT2 receptor agonist with ocular hypotensive activity. J Med Chem, Volume 49 (1), 2006";ChEMBL
MM475002;MM475002;CC(=O)OC12COC1CC(O)C1(C)C(=O)C(OC(=O)NCC(=O)O)C3=C(C)C(OC(=O)C(O)C(NC(=O)c4ccccc4)c4ccccc4)CC(O)(C(OC(=O)c4ccccc4)C21)C3(C)C;;912.94;2.98;23628248;;;CHEMBL391337;MDCK;EMDCK;25;0;"from B to A, MDCK-MDR, <a href=https://www.ebi.ac.uk/chembl/assay_report_card/CHEMBL896323/  target=_blank>CHEMBL896323</a>";;;;;;;;;-7.3;;;;;;;;;;;;"Ballatore C, Hyde E, Deiches RF, Lee VM, Trojanowski JQ, Huryn D, Smith AB.: Paclitaxel C-10 carbamates: potential candidates for the treatment of neurodegenerative tauopathies. Bioorg Med Chem Lett, Volume 17 (13), 2007";ChEMBL
MM475003;MM475003;CC(=O)OC1C(=O)C2(C)C(OC(=O)NCC(=O)O)CC3OCC3(OC(C)=O)C2C(OC(=O)c2ccccc2)C2(O)CC(OC(=O)C(O)C(NC(=O)c3ccccc3)c3ccccc3)C(C)=C1C2(C)C;;954.98;3.55;44432093;;;CHEMBL392408;MDCK;EMDCK;25;0;"from B to A, MDCK-MDR, <a href=https://www.ebi.ac.uk/chembl/assay_report_card/CHEMBL896323/  target=_blank>CHEMBL896323</a>";;;;;;;;;-7.22;;;;;;;;;;;;"Ballatore C, Hyde E, Deiches RF, Lee VM, Trojanowski JQ, Huryn D, Smith AB.: Paclitaxel C-10 carbamates: potential candidates for the treatment of neurodegenerative tauopathies. Bioorg Med Chem Lett, Volume 17 (13), 2007";ChEMBL
MM475004;MM475004;CC(=O)OC12COC1CC(O)C1(C)C(=O)C(OC(=O)N(C)CC(=O)O)C3=C(C)C(OC(=O)C(O)C(NC(=O)c4ccccc4)c4ccccc4)CC(O)(C(OC(=O)c4ccccc4)C21)C3(C)C;;926.97;3.33;44432095;;;CHEMBL392409;MDCK;EMDCK;25;0;"from B to A, MDCK-MDR, <a href=https://www.ebi.ac.uk/chembl/assay_report_card/CHEMBL896323/  target=_blank>CHEMBL896323</a>";;;;;;;;;-7.3;;;;;;;;;;;;"Ballatore C, Hyde E, Deiches RF, Lee VM, Trojanowski JQ, Huryn D, Smith AB.: Paclitaxel C-10 carbamates: potential candidates for the treatment of neurodegenerative tauopathies. Bioorg Med Chem Lett, Volume 17 (13), 2007";ChEMBL
MM475007;MM475007;CC(=O)OC12COC1CC(O)C1(C)C(=O)C(OC(=O)NC3CCOC3=O)C3=C(C)C(OC(=O)C(O)C(NC(=O)c4ccccc4)c4ccccc4)CC(O)(C(OC(=O)c4ccccc4)C21)C3(C)C;JLUHDITWGGSLRC-JEEXVABESA-N;938.98;3.21;44432102;;;CHEMBL397572;MDCK;EMDCK;25;0;"from B to A, MDCK-MDR, <a href=https://www.ebi.ac.uk/chembl/assay_report_card/CHEMBL896323/  target=_blank>CHEMBL896323</a>";;;;;;;;;-6.68;;;;;;;;;;;;"Ballatore C, Hyde E, Deiches RF, Lee VM, Trojanowski JQ, Huryn D, Smith AB.: Paclitaxel C-10 carbamates: potential candidates for the treatment of neurodegenerative tauopathies. Bioorg Med Chem Lett, Volume 17 (13), 2007";ChEMBL
MM475005;MM475005;CC(=O)OC12COC1CC(O)C1(C)C(=O)C(OC(=O)N(C)C(C)(C)C(=O)O)C3=C(C)C(OC(=O)C(O)C(NC(=O)c4ccccc4)c4ccccc4)CC(O)(C(OC(=O)c4ccccc4)C21)C3(C)C;;955.02;4.1;44432097;;;CHEMBL412798;MDCK;EMDCK;25;0;"from B to A, MDCK-MDR, <a href=https://www.ebi.ac.uk/chembl/assay_report_card/CHEMBL896323/  target=_blank>CHEMBL896323</a>";;;;;;;;;-7.3;;;;;;;;;;;;"Ballatore C, Hyde E, Deiches RF, Lee VM, Trojanowski JQ, Huryn D, Smith AB.: Paclitaxel C-10 carbamates: potential candidates for the treatment of neurodegenerative tauopathies. Bioorg Med Chem Lett, Volume 17 (13), 2007";ChEMBL
Paclitaxel;MM00400;CC(=O)OC1C(=O)C2(C)C(O)CC3OCC3(OC(C)=O)C2C(OC(=O)c2ccccc2)C2(O)CC(OC(=O)C(O)C(NC(=O)c3ccccc3)c3ccccc3)C(C)=C1C2(C)C;RCINICONZNJXQF-UHFFFAOYSA-N;853.92;3.74;36314;DB01229;TA1;CHEMBL428647;MDCK;EMDCK;25;0;"from B to A, MDCK-MDR, <a href=https://www.ebi.ac.uk/chembl/assay_report_card/CHEMBL896323/  target=_blank>CHEMBL896323</a>";;;;;;;;;-4.55;;;;;;;;;;;;"Ballatore C, Hyde E, Deiches RF, Lee VM, Trojanowski JQ, Huryn D, Smith AB.: Paclitaxel C-10 carbamates: potential candidates for the treatment of neurodegenerative tauopathies. Bioorg Med Chem Lett, Volume 17 (13), 2007";ChEMBL
MM475008;MM475008;CC(=O)OC12COC1CC(O)C1(C)C(=O)C(OC(=O)N(C)C(C)C(O)c3ccccc3)C3=C(C)C(OC(=O)C(O)C(NC(=O)c4ccccc4)c4ccccc4)CC(O)(C(OC(=O)c4ccccc4)C21)C3(C)C;FPTKUBQYPZDPHY-CGDKJZFLSA-N;1003.11;5.36;44432115;;;CHEMBL438758;MDCK;EMDCK;25;0;"from B to A, MDCK-MDR, <a href=https://www.ebi.ac.uk/chembl/assay_report_card/CHEMBL896323/  target=_blank>CHEMBL896323</a>";;;;;;;;;-4.6;;;;;;;;;;;;"Ballatore C, Hyde E, Deiches RF, Lee VM, Trojanowski JQ, Huryn D, Smith AB.: Paclitaxel C-10 carbamates: potential candidates for the treatment of neurodegenerative tauopathies. Bioorg Med Chem Lett, Volume 17 (13), 2007";ChEMBL
MM474796;MM474796;O=S(=O)(c1ccc2c(c1)CCNCC2)N1CCC(Oc2ccccc2Cl)C1;;406.94;2.87;44573162;;;CHEMBL448971;MDCK;EMDCK;25;0;"from B to A, MDCK-MDR, <a href=https://www.ebi.ac.uk/chembl/assay_report_card/CHEMBL1030735/  target=_blank>CHEMBL1030735</a>";;;;;;;;;-4.47;;;;;;;;;;;;"Fish PV, Brown AD, Evrard E, Roberts LR.: 7-Sulfonamido-3-benzazepines as potent and selective 5-HT2C receptor agonists: hit-to-lead optimization. Bioorg Med Chem Lett, Volume 19 (7), 2009";ChEMBL
MM475095;MM475095;CNC(=O)c1cccc(-c2ccccc2C2Cc3nccn3C2)c1;;317.39;3.25;44574106;;;CHEMBL466012;MDCK;EMDCK;25;0;"from B to A, MDCK-MDR, <a href=https://www.ebi.ac.uk/chembl/assay_report_card/CHEMBL970456/  target=_blank>CHEMBL970456</a>";;;;;;;;;-4.38;;;;;;;;;;;;"Roberts LR, Fish PV, Ian Storer R, Whitlock GA.: 6,7-Dihydro-5H-pyrrolo[1,2-a] imidazoles as potent and selective alpha1A adrenoceptor partial agonists. Bioorg Med Chem Lett, Volume 19 (11), 2009";ChEMBL
MM475096;MM475096;N#Cc1ccccc1[C@@H]1Cc2nccn2C1;;209.25;2.09;;;;CHEMBL466046;MDCK;EMDCK;25;0;"from B to A, MDCK-MDR, <a href=https://www.ebi.ac.uk/chembl/assay_report_card/CHEMBL970456/  target=_blank>CHEMBL970456</a>";;;;;;;;;-4.39;;;;;;;;;;;;"Roberts LR, Fish PV, Ian Storer R, Whitlock GA.: 6,7-Dihydro-5H-pyrrolo[1,2-a] imidazoles as potent and selective alpha1A adrenoceptor partial agonists. Bioorg Med Chem Lett, Volume 19 (11), 2009";ChEMBL
MM472929;MM472929;N#Cc1ccccc1C1Cc2nccn2C1;KMOFNRDXTFJLAO-UHFFFAOYSA-N;209.25;2.09;44219719;;;CHEMBL467916;MDCK;EMDCK;25;0;"from B to A, MDCK-MDR, <a href=https://www.ebi.ac.uk/chembl/assay_report_card/CHEMBL1015852/  target=_blank>CHEMBL1015852</a>";;;;;;;;;-4.39;;;;;;;;;;;;"Whitlock GA, Brennan PE, Roberts LR, Stobie A.: Potent and selective alpha1A adrenoceptor partial agonists--novel imidazole frameworks. Bioorg Med Chem Lett, Volume 19 (11), 2009";ChEMBL
MM475097;MM475097;c1cncc(-c2ccccc2C2Cc3nccn3C2)c1;;261.33;3.29;44574078;;;CHEMBL468711;MDCK;EMDCK;25;0;"from B to A, MDCK-MDR, <a href=https://www.ebi.ac.uk/chembl/assay_report_card/CHEMBL970456/  target=_blank>CHEMBL970456</a>";;;;;;;;;-4.33;;;;;;;;;;;;"Roberts LR, Fish PV, Ian Storer R, Whitlock GA.: 6,7-Dihydro-5H-pyrrolo[1,2-a] imidazoles as potent and selective alpha1A adrenoceptor partial agonists. Bioorg Med Chem Lett, Volume 19 (11), 2009";ChEMBL
MM475115;MM475115;CC(C)C(=O)N(Cc1ccccc1-c1ccccc1)[C@H]1CCNC1;;322.45;3.7;;;;CHEMBL476116;MDCK;EMDCK;25;0;"from B to A, MDCK-MDR, <a href=https://www.ebi.ac.uk/chembl/assay_report_card/CHEMBL993588/  target=_blank>CHEMBL993588</a>";;;;;;;;;-4.17;;;;;;;;;;;;"Fish PV, Barta NS, Gray DL, Ryckmans T, Stobie A, Wakenhut F, Whitlock GA.: Derivatives of (3S)-N-(biphenyl-2-ylmethyl)pyrrolidin-3-amine as selective noradrenaline reuptake inhibitors: Reducing P-gp mediated efflux by modulation of H-bond acceptor capacity. Bioorg Med Chem Lett, Volume 18 (15), 2008";ChEMBL
MM475116;MM475116;CS(=O)(=O)N(Cc1ccccc1-c1ccccc1)C1CCNC1;;330.45;2.48;44578266;;;CHEMBL476312;MDCK;EMDCK;25;0;"from B to A, MDCK-MDR, <a href=https://www.ebi.ac.uk/chembl/assay_report_card/CHEMBL993588/  target=_blank>CHEMBL993588</a>";;;;;;;;;-4.29;;;;;;;;;;;;"Fish PV, Barta NS, Gray DL, Ryckmans T, Stobie A, Wakenhut F, Whitlock GA.: Derivatives of (3S)-N-(biphenyl-2-ylmethyl)pyrrolidin-3-amine as selective noradrenaline reuptake inhibitors: Reducing P-gp mediated efflux by modulation of H-bond acceptor capacity. Bioorg Med Chem Lett, Volume 18 (15), 2008";ChEMBL
MM474863;MM474863;CC(C)C(=O)N(Cc1cccc(Cl)c1Cl)[C@H]1CCNC1;;315.24;3.34;;;;CHEMBL476954;MDCK;EMDCK;25;0;"from B to A, MDCK-MDR, <a href=https://www.ebi.ac.uk/chembl/assay_report_card/CHEMBL1112307/  target=_blank>CHEMBL1112307</a>";;;;;;;;;-4.19;;;;;;;;;;;;"Wakenhut F, Allan GA, Fish PV, Fray MJ, Harrison AC, McCoy R, Phillips SC, Ryckmans T, Stobie A, Westbrook D, Westbrook SL, Whitlock GA.: N-[(3S)-Pyrrolidin-3-yl]benzamides as novel dual serotonin and noradrenaline reuptake inhibitors: impact of small structural modifications on P-gp recognition and CNS penetration. Bioorg Med Chem Lett, Volume 19 (17), 2009";ChEMBL
MM475117;MM475117;O=C(N1CCCC1)N(Cc1ccccc1-c1ccccc1)C1CCNC1;;349.48;3.73;44578265;;;CHEMBL477148;MDCK;EMDCK;25;0;"from B to A, MDCK-MDR, <a href=https://www.ebi.ac.uk/chembl/assay_report_card/CHEMBL993588/  target=_blank>CHEMBL993588</a>";;;;;;;;;-4.28;;;;;;;;;;;;"Fish PV, Barta NS, Gray DL, Ryckmans T, Stobie A, Wakenhut F, Whitlock GA.: Derivatives of (3S)-N-(biphenyl-2-ylmethyl)pyrrolidin-3-amine as selective noradrenaline reuptake inhibitors: Reducing P-gp mediated efflux by modulation of H-bond acceptor capacity. Bioorg Med Chem Lett, Volume 18 (15), 2008";ChEMBL
MM475118;MM475118;CCOC(=O)N(Cc1ccccc1-c1ccccc1)C1CCNC1;;324.42;3.67;24962988;;;CHEMBL478834;MDCK;EMDCK;25;0;"from B to A, MDCK-MDR, <a href=https://www.ebi.ac.uk/chembl/assay_report_card/CHEMBL993588/  target=_blank>CHEMBL993588</a>";;;;;;;;;-4.36;;;;;;;;;;;;"Fish PV, Barta NS, Gray DL, Ryckmans T, Stobie A, Wakenhut F, Whitlock GA.: Derivatives of (3S)-N-(biphenyl-2-ylmethyl)pyrrolidin-3-amine as selective noradrenaline reuptake inhibitors: Reducing P-gp mediated efflux by modulation of H-bond acceptor capacity. Bioorg Med Chem Lett, Volume 18 (15), 2008";ChEMBL
MM474772;MM474772;COCc1c(Cl)ccc2c1CCC2c1ncc[nH]1;;262.74;3.29;44593557;;;CHEMBL481322;MDCK;EMDCK;25;0;"from B to A, MDCK-MDR, <a href=https://www.ebi.ac.uk/chembl/assay_report_card/CHEMBL1015852/  target=_blank>CHEMBL1015852</a>";;;;;;;;;-4.44;;;;;;;;;;;;"Whitlock GA, Brennan PE, Roberts LR, Stobie A.: Potent and selective alpha1A adrenoceptor partial agonists--novel imidazole frameworks. Bioorg Med Chem Lett, Volume 19 (11), 2009";ChEMBL
MM474772;MM474772;COCc1c(Cl)ccc2c1CCC2c1ncc[nH]1;;262.74;3.29;44593557;;;CHEMBL481322;MDCK;EMDCK;25;0;"from B to A, MDCK-MDR, <a href=https://www.ebi.ac.uk/chembl/assay_report_card/CHEMBL970456/  target=_blank>CHEMBL970456</a>";;;;;;;;;-4.44;;;;;;;;;;;;"Roberts LR, Fish PV, Ian Storer R, Whitlock GA.: 6,7-Dihydro-5H-pyrrolo[1,2-a] imidazoles as potent and selective alpha1A adrenoceptor partial agonists. Bioorg Med Chem Lett, Volume 19 (11), 2009";ChEMBL
MM474797;MM474797;O=S(=O)(c1ccc2c(c1)CCNCC2)N1CCC(Oc2ccccc2Cl)CC1;;420.96;3.26;44225654;;;CHEMBL492301;MDCK;EMDCK;25;0;"from B to A, MDCK-MDR, <a href=https://www.ebi.ac.uk/chembl/assay_report_card/CHEMBL1030735/  target=_blank>CHEMBL1030735</a>";;;;;;;;;-4.59;;;;;;;;;;;;"Fish PV, Brown AD, Evrard E, Roberts LR.: 7-Sulfonamido-3-benzazepines as potent and selective 5-HT2C receptor agonists: hit-to-lead optimization. Bioorg Med Chem Lett, Volume 19 (7), 2009";ChEMBL
MM474798;MM474798;CN(CC1COc2ccccc21)S(=O)(=O)c1ccc2c(c1)CCNCC2;;372.49;2.17;42601404;;;CHEMBL492556;MDCK;EMDCK;25;0;"from B to A, MDCK-MDR, <a href=https://www.ebi.ac.uk/chembl/assay_report_card/CHEMBL1030735/  target=_blank>CHEMBL1030735</a>";;;;;;;;;-4.47;;;;;;;;;;;;"Fish PV, Brown AD, Evrard E, Roberts LR.: 7-Sulfonamido-3-benzazepines as potent and selective 5-HT2C receptor agonists: hit-to-lead optimization. Bioorg Med Chem Lett, Volume 19 (7), 2009";ChEMBL
MM474799;MM474799;O=S(=O)(c1ccc2c(c1)CCNCC2)N1CC(Oc2cccc(Cl)c2)C1;;392.91;2.48;44573160;;;CHEMBL493757;MDCK;EMDCK;25;0;"from B to A, MDCK-MDR, <a href=https://www.ebi.ac.uk/chembl/assay_report_card/CHEMBL1030735/  target=_blank>CHEMBL1030735</a>";;;;;;;;;-4.7;;;;;;;;;;;;"Fish PV, Brown AD, Evrard E, Roberts LR.: 7-Sulfonamido-3-benzazepines as potent and selective 5-HT2C receptor agonists: hit-to-lead optimization. Bioorg Med Chem Lett, Volume 19 (7), 2009";ChEMBL
MM474800;MM474800;CN(Cc1ccccc1)S(=O)(=O)c1ccc2c(c1)CCNCC2;;330.45;2.2;44573219;;;CHEMBL493950;MDCK;EMDCK;25;0;"from B to A, MDCK-MDR, <a href=https://www.ebi.ac.uk/chembl/assay_report_card/CHEMBL1030735/  target=_blank>CHEMBL1030735</a>";;;;;;;;;-4.48;;;;;;;;;;;;"Fish PV, Brown AD, Evrard E, Roberts LR.: 7-Sulfonamido-3-benzazepines as potent and selective 5-HT2C receptor agonists: hit-to-lead optimization. Bioorg Med Chem Lett, Volume 19 (7), 2009";ChEMBL
MM475098;MM475098;Fc1ccc(-c2cncnc2)c(C2Cc3nccn3C2)c1;;280.31;2.82;44219718;;;CHEMBL506744;MDCK;EMDCK;25;0;"from B to A, MDCK-MDR, <a href=https://www.ebi.ac.uk/chembl/assay_report_card/CHEMBL970456/  target=_blank>CHEMBL970456</a>";;;;;;;;;-4.41;;;;;;;;;;;;"Roberts LR, Fish PV, Ian Storer R, Whitlock GA.: 6,7-Dihydro-5H-pyrrolo[1,2-a] imidazoles as potent and selective alpha1A adrenoceptor partial agonists. Bioorg Med Chem Lett, Volume 19 (11), 2009";ChEMBL
MM475099;MM475099;CS(=O)(=O)Nc1cccc(-c2ccccc2C2Cc3nccn3C2)c1;;353.45;3.26;44574104;;;CHEMBL513871;MDCK;EMDCK;25;0;"from B to A, MDCK-MDR, <a href=https://www.ebi.ac.uk/chembl/assay_report_card/CHEMBL970456/  target=_blank>CHEMBL970456</a>";;;;;;;;;-4.34;;;;;;;;;;;;"Roberts LR, Fish PV, Ian Storer R, Whitlock GA.: 6,7-Dihydro-5H-pyrrolo[1,2-a] imidazoles as potent and selective alpha1A adrenoceptor partial agonists. Bioorg Med Chem Lett, Volume 19 (11), 2009";ChEMBL
MM475119;MM475119;CN(C)S(=O)(=O)N(Cc1ccccc1-c1ccccc1)C1CCNC1;;359.5;2.32;44578319;;;CHEMBL514232;MDCK;EMDCK;25;0;"from B to A, MDCK-MDR, <a href=https://www.ebi.ac.uk/chembl/assay_report_card/CHEMBL993588/  target=_blank>CHEMBL993588</a>";;;;;;;;;-4.17;;;;;;;;;;;;"Fish PV, Barta NS, Gray DL, Ryckmans T, Stobie A, Wakenhut F, Whitlock GA.: Derivatives of (3S)-N-(biphenyl-2-ylmethyl)pyrrolidin-3-amine as selective noradrenaline reuptake inhibitors: Reducing P-gp mediated efflux by modulation of H-bond acceptor capacity. Bioorg Med Chem Lett, Volume 18 (15), 2008";ChEMBL
MM474801;MM474801;O=S(=O)(c1ccccc1)c1ccc2c(c1)CCNCC2;;287.38;2.21;42601405;;;CHEMBL521805;MDCK;EMDCK;25;0;"from B to A, MDCK-MDR, <a href=https://www.ebi.ac.uk/chembl/assay_report_card/CHEMBL1030735/  target=_blank>CHEMBL1030735</a>";;;;;;;;;-4.6;;;;;;;;;;;;"Fish PV, Brown AD, Evrard E, Roberts LR.: 7-Sulfonamido-3-benzazepines as potent and selective 5-HT2C receptor agonists: hit-to-lead optimization. Bioorg Med Chem Lett, Volume 19 (7), 2009";ChEMBL
MM474839;MM474839;O=C(c1ccccc1C(F)(F)F)N(CC1CCC1)[C@H]1CCNC1;;326.36;3.31;;;;CHEMBL552338;MDCK;EMDCK;25;0;"from B to A, MDCK-MDR, <a href=https://www.ebi.ac.uk/chembl/assay_report_card/CHEMBL1062508/  target=_blank>CHEMBL1062508</a>";;;;;;;;;-4.24;;;;;;;;;;;;"Fish PV, Wakenhut F, Ryckmans T, Stobie A.: Design, synthesis and evaluation of N-[(3S)-pyrrolidin-3-yl]benzamides as selective noradrenaline reuptake inhibitors: CNS penetration in a more polar template. Bioorg Med Chem Lett, Volume 19 (16), 2009";ChEMBL
MM474803;MM474803;CS(=O)(=O)Nc1ccc(OCC(=O)N2CCN(c3ccc(Cl)c(Cl)c3)CC2)cc1;;458.37;3.09;46227094;;;CHEMBL594417;MDCK;EMDCK;25;0;"from B to A, MDCK-MDR, <a href=https://www.ebi.ac.uk/chembl/assay_report_card/CHEMBL1040727/  target=_blank>CHEMBL1040727</a>";;;;;;;;;-4.37;;;;;;;;;;;;"Mosley CA, Myers SJ, Murray EE, Santangelo R, Tahirovic YA, Kurtkaya N, Mullasseril P, Yuan H, Lyuboslavsky P, Le P, Wilson LJ, Yepes M, Dingledine R, Traynelis SF, Liotta DC.: Synthesis, structural activity-relationships, and biological evaluation of novel amide-based allosteric binding site antagonists in NR1A/NR2B N-methyl-D-aspartate receptors. Bioorg Med Chem, Volume 17 (17), 2009";ChEMBL
MM474804;MM474804;CS(=O)(=O)Nc1ccc(OCCN2CCN(c3ccc(Cl)c(Cl)c3)C2=O)cc1;;444.34;3.69;44622841;;;CHEMBL596036;MDCK;EMDCK;25;0;"from B to A, MDCK-MDR, <a href=https://www.ebi.ac.uk/chembl/assay_report_card/CHEMBL1040727/  target=_blank>CHEMBL1040727</a>";;;;;;;;;-4.4;;;;;;;;;;;;"Mosley CA, Myers SJ, Murray EE, Santangelo R, Tahirovic YA, Kurtkaya N, Mullasseril P, Yuan H, Lyuboslavsky P, Le P, Wilson LJ, Yepes M, Dingledine R, Traynelis SF, Liotta DC.: Synthesis, structural activity-relationships, and biological evaluation of novel amide-based allosteric binding site antagonists in NR1A/NR2B N-methyl-D-aspartate receptors. Bioorg Med Chem, Volume 17 (17), 2009";ChEMBL
MM474805;MM474805;CS(=O)(=O)Nc1ccc(OCC(=O)NCCNc2ccc(Cl)c(Cl)c2)cc1;;432.33;2.97;44622834;;;CHEMBL607819;MDCK;EMDCK;25;0;"from B to A, MDCK-MDR, <a href=https://www.ebi.ac.uk/chembl/assay_report_card/CHEMBL1040727/  target=_blank>CHEMBL1040727</a>";;;;;;;;;-4.2;;;;;;;;;;;;"Mosley CA, Myers SJ, Murray EE, Santangelo R, Tahirovic YA, Kurtkaya N, Mullasseril P, Yuan H, Lyuboslavsky P, Le P, Wilson LJ, Yepes M, Dingledine R, Traynelis SF, Liotta DC.: Synthesis, structural activity-relationships, and biological evaluation of novel amide-based allosteric binding site antagonists in NR1A/NR2B N-methyl-D-aspartate receptors. Bioorg Med Chem, Volume 17 (17), 2009";ChEMBL
MM474980;MM474980;COc1ccc2[nH]cc(CCN(C)C)c2c1;;218.3;2.28;1832;;;CHEMBL7257;MDCK;EMDCK;25;0;"from B to A, MDCK-MDR, <a href=https://www.ebi.ac.uk/chembl/assay_report_card/CHEMBL861743/  target=_blank>CHEMBL861743</a>";;;;;;;;;-4.84;;;;;;;;;;;;"May JA, Dantanarayana AP, Zinke PW, McLaughlin MA, Sharif NA.: 1-((S)-2-aminopropyl)-1H-indazol-6-ol: a potent peripherally acting 5-HT2 receptor agonist with ocular hypotensive activity. J Med Chem, Volume 49 (1), 2006";ChEMBL
MM474980;MM474980;COc1ccc2[nH]cc(CCN(C)C)c2c1;;218.3;2.28;1832;;;CHEMBL7257;MDCK;EMDCK;25;0;"from B to A, MDCK-MDR, <a href=https://www.ebi.ac.uk/chembl/assay_report_card/CHEMBL861799/  target=_blank>CHEMBL861799</a>";;;;;;;;;-4.85;;;;;;;;;;;;"May JA, Dantanarayana AP, Zinke PW, McLaughlin MA, Sharif NA.: 1-((S)-2-aminopropyl)-1H-indazol-6-ol: a potent peripherally acting 5-HT2 receptor agonist with ocular hypotensive activity. J Med Chem, Volume 49 (1), 2006";ChEMBL
Caffeine;MM00040;Cn1c(=O)c2c(ncn2C)n(C)c1=O;RYYVLZVUVIJVGH-UHFFFAOYSA-N;194.19;-1.03;2519;DB00201;CFF;CHEMBL113;MDCK;EMDCK;25;0;"from A to B, MDCK-MDR, <a href=https://www.ebi.ac.uk/chembl/assay_report_card/CHEMBL1066303/  target=_blank>CHEMBL1066303</a>";;;;;;;;;-4.77;;;;;;;;;;;;"Peng J, Kudrimoti S, Prasanna S, Odde S, Doerksen RJ, Pennaka HK, Choo YM, Rao KV, Tekwani BL, Madgula V, Khan SI, Wang B, Mayer AM, Jacob MR, Tu LC, Gertsch J, Hamann MT.: Structure-activity relationship and mechanism of action studies of manzamine analogues for the control of neuroinflammation and cerebral infections. J Med Chem, Volume 53 (1), 2010";ChEMBL
MM474940;MM474940;COc1ccc(-c2csc(Nc3ccc(C(F)(F)F)cn3)n2)cc1OC;;381.38;4.98;51002742;;;CHEMBL1672197;MDCK;EMDCK;25;0;"from A to B, MDCK-MDR, <a href=https://www.ebi.ac.uk/chembl/assay_report_card/CHEMBL1678435/  target=_blank>CHEMBL1678435</a>";;;;;;;;;-5.03;;;;;;;;;;;;"Gallardo-Godoy A, Gever J, Fife KL, Silber BM, Prusiner SB, Renslo AR.: 2-Aminothiazoles as therapeutic leads for prion diseases. J Med Chem, Volume 54 (4), 2011";ChEMBL
MM474941;MM474941;COc1ccc(Nc2nc(-c3ccc(OC)c(OC)c3)cs2)nc1;;343.41;3.97;51002743;;;CHEMBL1672198;MDCK;EMDCK;25;0;"from A to B, MDCK-MDR, <a href=https://www.ebi.ac.uk/chembl/assay_report_card/CHEMBL1678435/  target=_blank>CHEMBL1678435</a>";;;;;;;;;-4.7;;;;;;;;;;;;"Gallardo-Godoy A, Gever J, Fife KL, Silber BM, Prusiner SB, Renslo AR.: 2-Aminothiazoles as therapeutic leads for prion diseases. J Med Chem, Volume 54 (4), 2011";ChEMBL
MM474942;MM474942;COc1ccc(-c2csc(Nc3cc4ccccc4cn3)n2)cc1OC;;363.44;5.12;51002784;;;CHEMBL1672199;MDCK;EMDCK;25;0;"from A to B, MDCK-MDR, <a href=https://www.ebi.ac.uk/chembl/assay_report_card/CHEMBL1678435/  target=_blank>CHEMBL1678435</a>";;;;;;;;;-4.88;;;;;;;;;;;;"Gallardo-Godoy A, Gever J, Fife KL, Silber BM, Prusiner SB, Renslo AR.: 2-Aminothiazoles as therapeutic leads for prion diseases. J Med Chem, Volume 54 (4), 2011";ChEMBL
MM474943;MM474943;COc1ccc(-c2csc(Nc3ccc4ccccc4n3)n2)cc1OC;;363.44;5.12;51002785;;;CHEMBL1672200;MDCK;EMDCK;25;0;"from A to B, MDCK-MDR, <a href=https://www.ebi.ac.uk/chembl/assay_report_card/CHEMBL1678435/  target=_blank>CHEMBL1678435</a>";;;;;;;;;-5.04;;;;;;;;;;;;"Gallardo-Godoy A, Gever J, Fife KL, Silber BM, Prusiner SB, Renslo AR.: 2-Aminothiazoles as therapeutic leads for prion diseases. J Med Chem, Volume 54 (4), 2011";ChEMBL
MM474944;MM474944;Cc1ccc(Nc2nc(-c3ccncc3)cs2)nc1;;268.35;3.65;1092470;;;CHEMBL1672204;MDCK;EMDCK;25;0;"from A to B, MDCK-MDR, <a href=https://www.ebi.ac.uk/chembl/assay_report_card/CHEMBL1678435/  target=_blank>CHEMBL1678435</a>";;;;;;;;;-4.49;;;;;;;;;;;;"Gallardo-Godoy A, Gever J, Fife KL, Silber BM, Prusiner SB, Renslo AR.: 2-Aminothiazoles as therapeutic leads for prion diseases. J Med Chem, Volume 54 (4), 2011";ChEMBL
MM474945;MM474945;Cc1ccc(Nc2nc(-c3cc(-c4ccccc4)no3)cs2)nc1;;334.4;4.91;51002828;;;CHEMBL1672206;MDCK;EMDCK;25;0;"from A to B, MDCK-MDR, <a href=https://www.ebi.ac.uk/chembl/assay_report_card/CHEMBL1678435/  target=_blank>CHEMBL1678435</a>";;;;;;;;;-5.17;;;;;;;;;;;;"Gallardo-Godoy A, Gever J, Fife KL, Silber BM, Prusiner SB, Renslo AR.: 2-Aminothiazoles as therapeutic leads for prion diseases. J Med Chem, Volume 54 (4), 2011";ChEMBL
MM474946;MM474946;Cc1ccc(Nc2nc(-c3c(-c4ccccc4)noc3C)cs2)nc1;;348.43;5.22;51002829;;;CHEMBL1672207;MDCK;EMDCK;25;0;"from A to B, MDCK-MDR, <a href=https://www.ebi.ac.uk/chembl/assay_report_card/CHEMBL1678435/  target=_blank>CHEMBL1678435</a>";;;;;;;;;-4.95;;;;;;;;;;;;"Gallardo-Godoy A, Gever J, Fife KL, Silber BM, Prusiner SB, Renslo AR.: 2-Aminothiazoles as therapeutic leads for prion diseases. J Med Chem, Volume 54 (4), 2011";ChEMBL
MM474840;MM474840;OC12C=C(c3nccc4c3[nH]c3ccccc34)C3CCN(CCCCC=CCC1)CC31CC3C=CCCCCN3C21;FUCSLKWLLSEMDQ-MKYGIPPKSA-N;548.78;6.86;6509753;;;CHEMBL403233;MDCK;EMDCK;25;0;"from A to B, MDCK-MDR, <a href=https://www.ebi.ac.uk/chembl/assay_report_card/CHEMBL1066303/  target=_blank>CHEMBL1066303</a>";;;;;;;;;-6.06;;;;;;;;;;;;"Peng J, Kudrimoti S, Prasanna S, Odde S, Doerksen RJ, Pennaka HK, Choo YM, Rao KV, Tekwani BL, Madgula V, Khan SI, Wang B, Mayer AM, Jacob MR, Tu LC, Gertsch J, Hamann MT.: Structure-activity relationship and mechanism of action studies of manzamine analogues for the control of neuroinflammation and cerebral infections. J Med Chem, Volume 53 (1), 2010";ChEMBL
MM474806;MM474806;O=c1cc2c(nn1Cc1ccccc1)CCNCC2;ZRDIIBAKWCLJAI-UHFFFAOYSA-N;255.32;0.98;44622848;;;CHEMBL524778;MDCK;EMDCK;25;0;"from A to B, MDCK-MDR, <a href=https://www.ebi.ac.uk/chembl/assay_report_card/CHEMBL1041008/  target=_blank>CHEMBL1041008</a>";;;;;;;;;-4.6;;;;;;;;;;;;"Brennan PE, Whitlock GA, Ho DK, Conlon K, McMurray G.: Discovery of a novel azepine series of potent and selective 5-HT2C agonists as potential treatments for urinary incontinence. Bioorg Med Chem Lett, Volume 19 (17), 2009";ChEMBL
MM474807;MM474807;c1ccc(Cn2ncc3c2CCNCC3)cc1;ZGIWZGNMDGBKKJ-UHFFFAOYSA-N;227.31;1.62;45484741;;;CHEMBL565536;MDCK;EMDCK;25;0;"from A to B, MDCK-MDR, <a href=https://www.ebi.ac.uk/chembl/assay_report_card/CHEMBL1041008/  target=_blank>CHEMBL1041008</a>";;;;;;;;;-4.51;;;;;;;;;;;;"Brennan PE, Whitlock GA, Ho DK, Conlon K, McMurray G.: Discovery of a novel azepine series of potent and selective 5-HT2C agonists as potential treatments for urinary incontinence. Bioorg Med Chem Lett, Volume 19 (17), 2009";ChEMBL
MM474808;MM474808;N#Cc1ccc(Cn2nc3c(cc2=O)CCNCC3)cc1;AIPWHVDDZUPBMQ-UHFFFAOYSA-N;280.33;0.85;45484681;;;CHEMBL567587;MDCK;EMDCK;25;0;"from A to B, MDCK-MDR, <a href=https://www.ebi.ac.uk/chembl/assay_report_card/CHEMBL1041008/  target=_blank>CHEMBL1041008</a>";;;;;;;;;-4.96;;;;;;;;;;;;"Brennan PE, Whitlock GA, Ho DK, Conlon K, McMurray G.: Discovery of a novel azepine series of potent and selective 5-HT2C agonists as potential treatments for urinary incontinence. Bioorg Med Chem Lett, Volume 19 (17), 2009";ChEMBL
MM474809;MM474809;c1ccc(Cn2cc3c(n2)CCNCC3)cc1;TVPVLONBSRPTBW-UHFFFAOYSA-N;227.31;1.62;45484727;;;CHEMBL568005;MDCK;EMDCK;25;0;"from A to B, MDCK-MDR, <a href=https://www.ebi.ac.uk/chembl/assay_report_card/CHEMBL1041008/  target=_blank>CHEMBL1041008</a>";;;;;;;;;-4.57;;;;;;;;;;;;"Brennan PE, Whitlock GA, Ho DK, Conlon K, McMurray G.: Discovery of a novel azepine series of potent and selective 5-HT2C agonists as potential treatments for urinary incontinence. Bioorg Med Chem Lett, Volume 19 (17), 2009";ChEMBL
MM474810;MM474810;Cn1c2c(c(=O)n1Cc1ccccc1)CCNCC2;UMCHVGPMZOXWPI-UHFFFAOYSA-N;257.34;0.92;45484726;;;CHEMBL576912;MDCK;EMDCK;25;0;"from A to B, MDCK-MDR, <a href=https://www.ebi.ac.uk/chembl/assay_report_card/CHEMBL1041008/  target=_blank>CHEMBL1041008</a>";;;;;;;;;-4.89;;;;;;;;;;;;"Brennan PE, Whitlock GA, Ho DK, Conlon K, McMurray G.: Discovery of a novel azepine series of potent and selective 5-HT2C agonists as potential treatments for urinary incontinence. Bioorg Med Chem Lett, Volume 19 (17), 2009";ChEMBL
MM474811;MM474811;O=c1cc2c(nn1Cc1cccc(Cl)c1)CCNCC2;YUWCEECEVXHQPF-UHFFFAOYSA-N;289.77;1.63;45484662;;;CHEMBL577691;MDCK;EMDCK;25;0;"from A to B, MDCK-MDR, <a href=https://www.ebi.ac.uk/chembl/assay_report_card/CHEMBL1041008/  target=_blank>CHEMBL1041008</a>";;;;;;;;;-4.49;;;;;;;;;;;;"Brennan PE, Whitlock GA, Ho DK, Conlon K, McMurray G.: Discovery of a novel azepine series of potent and selective 5-HT2C agonists as potential treatments for urinary incontinence. Bioorg Med Chem Lett, Volume 19 (17), 2009";ChEMBL
MM474812;MM474812;O=c1c2c([nH]n1Cc1ccccc1)CCNCC2;HPTRPGKTBJNXBW-UHFFFAOYSA-N;243.31;0.91;45484708;;;CHEMBL577693;MDCK;EMDCK;25;0;"from A to B, MDCK-MDR, <a href=https://www.ebi.ac.uk/chembl/assay_report_card/CHEMBL1041008/  target=_blank>CHEMBL1041008</a>";;;;;;;;;-5.7;;;;;;;;;;;;"Brennan PE, Whitlock GA, Ho DK, Conlon K, McMurray G.: Discovery of a novel azepine series of potent and selective 5-HT2C agonists as potential treatments for urinary incontinence. Bioorg Med Chem Lett, Volume 19 (17), 2009";ChEMBL
MM474940;MM474940;COc1ccc(-c2csc(Nc3ccc(C(F)(F)F)cn3)n2)cc1OC;;381.38;4.98;51002742;;;CHEMBL1672197;MDCK;EMDCK;25;0;"from B to A, MDCK-MDR, <a href=https://www.ebi.ac.uk/chembl/assay_report_card/CHEMBL1678436/  target=_blank>CHEMBL1678436</a>";;;;;;;;;-5.06;;;;;;;;;;;;"Gallardo-Godoy A, Gever J, Fife KL, Silber BM, Prusiner SB, Renslo AR.: 2-Aminothiazoles as therapeutic leads for prion diseases. J Med Chem, Volume 54 (4), 2011";ChEMBL
MM474941;MM474941;COc1ccc(Nc2nc(-c3ccc(OC)c(OC)c3)cs2)nc1;;343.41;3.97;51002743;;;CHEMBL1672198;MDCK;EMDCK;25;0;"from B to A, MDCK-MDR, <a href=https://www.ebi.ac.uk/chembl/assay_report_card/CHEMBL1678436/  target=_blank>CHEMBL1678436</a>";;;;;;;;;-4.61;;;;;;;;;;;;"Gallardo-Godoy A, Gever J, Fife KL, Silber BM, Prusiner SB, Renslo AR.: 2-Aminothiazoles as therapeutic leads for prion diseases. J Med Chem, Volume 54 (4), 2011";ChEMBL
MM474942;MM474942;COc1ccc(-c2csc(Nc3cc4ccccc4cn3)n2)cc1OC;;363.44;5.12;51002784;;;CHEMBL1672199;MDCK;EMDCK;25;0;"from B to A, MDCK-MDR, <a href=https://www.ebi.ac.uk/chembl/assay_report_card/CHEMBL1678436/  target=_blank>CHEMBL1678436</a>";;;;;;;;;-4.98;;;;;;;;;;;;"Gallardo-Godoy A, Gever J, Fife KL, Silber BM, Prusiner SB, Renslo AR.: 2-Aminothiazoles as therapeutic leads for prion diseases. J Med Chem, Volume 54 (4), 2011";ChEMBL
MM474943;MM474943;COc1ccc(-c2csc(Nc3ccc4ccccc4n3)n2)cc1OC;;363.44;5.12;51002785;;;CHEMBL1672200;MDCK;EMDCK;25;0;"from B to A, MDCK-MDR, <a href=https://www.ebi.ac.uk/chembl/assay_report_card/CHEMBL1678436/  target=_blank>CHEMBL1678436</a>";;;;;;;;;-5.05;;;;;;;;;;;;"Gallardo-Godoy A, Gever J, Fife KL, Silber BM, Prusiner SB, Renslo AR.: 2-Aminothiazoles as therapeutic leads for prion diseases. J Med Chem, Volume 54 (4), 2011";ChEMBL
MM474944;MM474944;Cc1ccc(Nc2nc(-c3ccncc3)cs2)nc1;;268.35;3.65;1092470;;;CHEMBL1672204;MDCK;EMDCK;25;0;"from B to A, MDCK-MDR, <a href=https://www.ebi.ac.uk/chembl/assay_report_card/CHEMBL1678436/  target=_blank>CHEMBL1678436</a>";;;;;;;;;-4.37;;;;;;;;;;;;"Gallardo-Godoy A, Gever J, Fife KL, Silber BM, Prusiner SB, Renslo AR.: 2-Aminothiazoles as therapeutic leads for prion diseases. J Med Chem, Volume 54 (4), 2011";ChEMBL
MM474945;MM474945;Cc1ccc(Nc2nc(-c3cc(-c4ccccc4)no3)cs2)nc1;;334.4;4.91;51002828;;;CHEMBL1672206;MDCK;EMDCK;25;0;"from B to A, MDCK-MDR, <a href=https://www.ebi.ac.uk/chembl/assay_report_card/CHEMBL1678436/  target=_blank>CHEMBL1678436</a>";;;;;;;;;-5.08;;;;;;;;;;;;"Gallardo-Godoy A, Gever J, Fife KL, Silber BM, Prusiner SB, Renslo AR.: 2-Aminothiazoles as therapeutic leads for prion diseases. J Med Chem, Volume 54 (4), 2011";ChEMBL
MM474946;MM474946;Cc1ccc(Nc2nc(-c3c(-c4ccccc4)noc3C)cs2)nc1;;348.43;5.22;51002829;;;CHEMBL1672207;MDCK;EMDCK;25;0;"from B to A, MDCK-MDR, <a href=https://www.ebi.ac.uk/chembl/assay_report_card/CHEMBL1678436/  target=_blank>CHEMBL1678436</a>";;;;;;;;;-5.07;;;;;;;;;;;;"Gallardo-Godoy A, Gever J, Fife KL, Silber BM, Prusiner SB, Renslo AR.: 2-Aminothiazoles as therapeutic leads for prion diseases. J Med Chem, Volume 54 (4), 2011";ChEMBL
MM474890;MM474890;NC(=O)c1cnc(-c2cnc3c(Nc4ccc(C(F)(F)F)cn4)ccnc3n2)c(C(F)(F)F)c1;YPYYPOYQUMYMKR-UHFFFAOYSA-N;479.34;4.36;46911175;;;CHEMBL1214402;MDCK;EMDCK;25;0;"<a href=https://www.ebi.ac.uk/chembl/assay_report_card/CHEMBL1217661/  target=_blank>CHEMBL1217661</a>";;;;;;;;;-4.47;;;;;;;;;;;;"Hodgetts KJ, Blum CA, Caldwell T, Bakthavatchalam R, Zheng X, Capitosti S, Krause JE, Cortright D, Crandall M, Murphy BA, Boyce S, Brian Jones A, Chenard BL.: Pyrido[2,3-b]pyrazines, discovery of TRPV1 antagonists with reduced potential for the formation of reactive metabolites. Bioorg Med Chem Lett, Volume 20 (15), 2010";ChEMBL
MM474898;MM474898;CC(=O)N[C@@H](Cc1cc(F)cc(F)c1)[C@H](O)CNC1(c2cc(C(C)(C)C)ncn2)CCCCC1;;474.6;3.91;;;;CHEMBL1257302;MDCK;EMDCK;25;0;"<a href=https://www.ebi.ac.uk/chembl/assay_report_card/CHEMBL1260851/  target=_blank>CHEMBL1260851</a>";;;;;;;;;-4.58;;;;;;;;;;;;"Probst GD, Bowers S, Sealy JM, Stupi B, Dressen D, Jagodzinska BM, Aquino J, Gailunas A, Truong AP, Tso L, Xu YZ, Hom RK, John V, Tung JS, Pleiss MA, Tucker JA, Konradi AW, Sham HL, Jagodzinski J, Toth G, Brecht E, Yao N, Pan H, Lin M, Artis DR, Ruslim L, Bova MP, Sinha S, Yednock TA, Gauby S, Zmolek W, Quinn KP, Sauer JM.: Design and synthesis of hydroxyethylamine (HEA) BACE-1 inhibitors: structure-activity relationship of the aryl region. Bioorg Med Chem Lett, Volume 20 (20), 2010";ChEMBL
MM474899;MM474899;CC(=O)N[C@@H](Cc1cc(F)cc(F)c1)[C@H](O)CNC1(c2cccc(C(C)(C)C)c2)CC1;;430.54;3.95;;;;CHEMBL1257303;MDCK;EMDCK;25;0;"<a href=https://www.ebi.ac.uk/chembl/assay_report_card/CHEMBL1260851/  target=_blank>CHEMBL1260851</a>";;;;;;;;;-5.3;;;;;;;;;;;;"Probst GD, Bowers S, Sealy JM, Stupi B, Dressen D, Jagodzinska BM, Aquino J, Gailunas A, Truong AP, Tso L, Xu YZ, Hom RK, John V, Tung JS, Pleiss MA, Tucker JA, Konradi AW, Sham HL, Jagodzinski J, Toth G, Brecht E, Yao N, Pan H, Lin M, Artis DR, Ruslim L, Bova MP, Sinha S, Yednock TA, Gauby S, Zmolek W, Quinn KP, Sauer JM.: Design and synthesis of hydroxyethylamine (HEA) BACE-1 inhibitors: structure-activity relationship of the aryl region. Bioorg Med Chem Lett, Volume 20 (20), 2010";ChEMBL
MM474900;MM474900;CC(=O)N[C@@H](Cc1cc(F)cc(F)c1)[C@H](O)CNC1(c2cncc(CC(C)(C)C)c2)CC1;WETWCOGJYRYKDB-XZOQPEGZSA-N;445.55;3.64;;;;;MDCK;EMDCK;25;0;"<a href=https://www.ebi.ac.uk/chembl/assay_report_card/CHEMBL1260851/  target=_blank>CHEMBL1260851</a>";;;;;;;;;-4.87;;;;;;;;;;;;"Probst GD, Bowers S, Sealy JM, Stupi B, Dressen D, Jagodzinska BM, Aquino J, Gailunas A, Truong AP, Tso L, Xu YZ, Hom RK, John V, Tung JS, Pleiss MA, Tucker JA, Konradi AW, Sham HL, Jagodzinski J, Toth G, Brecht E, Yao N, Pan H, Lin M, Artis DR, Ruslim L, Bova MP, Sinha S, Yednock TA, Gauby S, Zmolek W, Quinn KP, Sauer JM.: Design and synthesis of hydroxyethylamine (HEA) BACE-1 inhibitors: structure-activity relationship of the aryl region. Bioorg Med Chem Lett, Volume 20 (20), 2010";ChEMBL
MM474901;MM474901;CC(=O)N[C@@H](Cc1cc(F)cc(F)c1)[C@H](O)CNC1(c2nc(CC(C)(C)C)cs2)CC1;IVEXILNYIOKCOY-VQTJNVASSA-N;451.58;3.7;;;;;MDCK;EMDCK;25;0;"<a href=https://www.ebi.ac.uk/chembl/assay_report_card/CHEMBL1260851/  target=_blank>CHEMBL1260851</a>";;;;;;;;;-4.95;;;;;;;;;;;;"Probst GD, Bowers S, Sealy JM, Stupi B, Dressen D, Jagodzinska BM, Aquino J, Gailunas A, Truong AP, Tso L, Xu YZ, Hom RK, John V, Tung JS, Pleiss MA, Tucker JA, Konradi AW, Sham HL, Jagodzinski J, Toth G, Brecht E, Yao N, Pan H, Lin M, Artis DR, Ruslim L, Bova MP, Sinha S, Yednock TA, Gauby S, Zmolek W, Quinn KP, Sauer JM.: Design and synthesis of hydroxyethylamine (HEA) BACE-1 inhibitors: structure-activity relationship of the aryl region. Bioorg Med Chem Lett, Volume 20 (20), 2010";ChEMBL
MM474902;MM474902;CC(=O)N[C@@H](Cc1cc(F)cc(F)c1)[C@H](O)CNC1(c2cnn(CC(C)(C)C)c2)CC1;;434.53;2.89;;;;CHEMBL1258002;MDCK;EMDCK;25;0;"<a href=https://www.ebi.ac.uk/chembl/assay_report_card/CHEMBL1260851/  target=_blank>CHEMBL1260851</a>";;;;;;;;;-4.97;;;;;;;;;;;;"Probst GD, Bowers S, Sealy JM, Stupi B, Dressen D, Jagodzinska BM, Aquino J, Gailunas A, Truong AP, Tso L, Xu YZ, Hom RK, John V, Tung JS, Pleiss MA, Tucker JA, Konradi AW, Sham HL, Jagodzinski J, Toth G, Brecht E, Yao N, Pan H, Lin M, Artis DR, Ruslim L, Bova MP, Sinha S, Yednock TA, Gauby S, Zmolek W, Quinn KP, Sauer JM.: Design and synthesis of hydroxyethylamine (HEA) BACE-1 inhibitors: structure-activity relationship of the aryl region. Bioorg Med Chem Lett, Volume 20 (20), 2010";ChEMBL
MM474903;MM474903;CC(=O)N[C@@H](Cc1cc(F)cc(F)c1)[C@H](O)CNC1(c2cc(CC(C)(C)C)no2)CCCCC1;DDSJVMZLEUXJNA-XZOQPEGZSA-N;477.6;4.4;;;;;MDCK;EMDCK;25;0;"<a href=https://www.ebi.ac.uk/chembl/assay_report_card/CHEMBL1260851/  target=_blank>CHEMBL1260851</a>";;;;;;;;;-4.74;;;;;;;;;;;;"Probst GD, Bowers S, Sealy JM, Stupi B, Dressen D, Jagodzinska BM, Aquino J, Gailunas A, Truong AP, Tso L, Xu YZ, Hom RK, John V, Tung JS, Pleiss MA, Tucker JA, Konradi AW, Sham HL, Jagodzinski J, Toth G, Brecht E, Yao N, Pan H, Lin M, Artis DR, Ruslim L, Bova MP, Sinha S, Yednock TA, Gauby S, Zmolek W, Quinn KP, Sauer JM.: Design and synthesis of hydroxyethylamine (HEA) BACE-1 inhibitors: structure-activity relationship of the aryl region. Bioorg Med Chem Lett, Volume 20 (20), 2010";ChEMBL
Metoprolol;MM00275;COCCc1ccc(OCC(O)CNC(C)C)cc1;IUBSYMUCCVWXPE-UHFFFAOYSA-N;267.37;1.61;4171;DB00264;;CHEMBL13;MDCK;EMDCK;25;0;"<a href=https://www.ebi.ac.uk/chembl/assay_report_card/CHEMBL840609/  target=_blank>CHEMBL840609</a>";;;;;;;;;-4.42;;;;;;;;;;;;"Refsgaard HH, Jensen BF, Brockhoff PB, Padkjaer SB, Guldbrandt M, Christensen MS.: In silico prediction of membrane permeability from calculated molecular parameters. J Med Chem, Volume 48 (3), 2005";ChEMBL
Chloramphenicol;MM00342;O=C(NC(CO)C(O)c1ccc([N+](=O)[O-])cc1)C(Cl)Cl;WIIZWVCIJKGZOK-UHFFFAOYSA-N;323.13;0.91;5959;DB00446;CLM;CHEMBL130;MDCK;EMDCK;25;+1,-1;"<a href=https://www.ebi.ac.uk/chembl/assay_report_card/CHEMBL840609/  target=_blank>CHEMBL840609</a>";;;;;;;;;-5.5;;;;;;;;;;;;"Refsgaard HH, Jensen BF, Brockhoff PB, Padkjaer SB, Guldbrandt M, Christensen MS.: In silico prediction of membrane permeability from calculated molecular parameters. J Med Chem, Volume 48 (3), 2005";ChEMBL
MM474930;MM474930;CC(C)SC(NC(=O)C(CC(O)C1COCc2cccc(c2)C(c2ccccc2)NC(=O)c2cc(cc(N(C)S(C)(=O)=O)c2)C(=O)N1)C(C)C)C(=O)NCc1ccccc1;;858.1;5.15;53318217;;;CHEMBL1644463;MDCK;EMDCK;25;0;"<a href=https://www.ebi.ac.uk/chembl/assay_report_card/CHEMBL1647507/  target=_blank>CHEMBL1647507</a>";;;;;;;;;-7;;;;;;;;;;;;"Sund C, Belda O, Wiktelius D, Sahlberg C, Vrang L, Sedig S, Hamelink E, Henderson I, Agback T, Jansson K, Borkakoti N, Derbyshire D, Eneroth A, Samuelsson B.: Design and synthesis of potent macrocyclic renin inhibitors. Bioorg Med Chem Lett, Volume 21 (1), 2011";ChEMBL
MM474930;MM474930;CC(C)SC(NC(=O)C(CC(O)C1COCc2cccc(c2)C(c2ccccc2)NC(=O)c2cc(cc(N(C)S(C)(=O)=O)c2)C(=O)N1)C(C)C)C(=O)NCc1ccccc1;;858.1;5.15;53318217;;;CHEMBL1644463;MDCK;EMDCK;25;0;"<a href=https://www.ebi.ac.uk/chembl/assay_report_card/CHEMBL1647508/  target=_blank>CHEMBL1647508</a>";;;;;;;;;-7;;;;;;;;;;;;"Sund C, Belda O, Wiktelius D, Sahlberg C, Vrang L, Sedig S, Hamelink E, Henderson I, Agback T, Jansson K, Borkakoti N, Derbyshire D, Eneroth A, Samuelsson B.: Design and synthesis of potent macrocyclic renin inhibitors. Bioorg Med Chem Lett, Volume 21 (1), 2011";ChEMBL
MM474931;MM474931;CC(C)CNC(=O)C(CC(O)C1COCc2cccc(c2)C(c2ccccc2)NC(=O)c2cc(cc(N(C)S(C)(=O)=O)c2)C(=O)N1)C(C)C;;692.88;4.03;53322198;;;CHEMBL1644464;MDCK;EMDCK;25;0;"<a href=https://www.ebi.ac.uk/chembl/assay_report_card/CHEMBL1647507/  target=_blank>CHEMBL1647507</a>";;;;;;;;;-7;;;;;;;;;;;;"Sund C, Belda O, Wiktelius D, Sahlberg C, Vrang L, Sedig S, Hamelink E, Henderson I, Agback T, Jansson K, Borkakoti N, Derbyshire D, Eneroth A, Samuelsson B.: Design and synthesis of potent macrocyclic renin inhibitors. Bioorg Med Chem Lett, Volume 21 (1), 2011";ChEMBL
MM474931;MM474931;CC(C)CNC(=O)C(CC(O)C1COCc2cccc(c2)C(c2ccccc2)NC(=O)c2cc(cc(N(C)S(C)(=O)=O)c2)C(=O)N1)C(C)C;;692.88;4.03;53322198;;;CHEMBL1644464;MDCK;EMDCK;25;0;"<a href=https://www.ebi.ac.uk/chembl/assay_report_card/CHEMBL1647508/  target=_blank>CHEMBL1647508</a>";;;;;;;;;-7;;;;;;;;;;;;"Sund C, Belda O, Wiktelius D, Sahlberg C, Vrang L, Sedig S, Hamelink E, Henderson I, Agback T, Jansson K, Borkakoti N, Derbyshire D, Eneroth A, Samuelsson B.: Design and synthesis of potent macrocyclic renin inhibitors. Bioorg Med Chem Lett, Volume 21 (1), 2011";ChEMBL
MM474947;MM474947;CC(C)c1onc(-c2c(Cl)cccc2Cl)c1COc1ccc(-c2ccc3nc(C(=O)O)ccc3c2)cc1;SZUHDKKQQZPOGX-UHFFFAOYSA-N;533.41;8.26;24771983;;;CHEMBL1672448;MDCK;EMDCK;25;0;"<a href=https://www.ebi.ac.uk/chembl/assay_report_card/CHEMBL1678725/  target=_blank>CHEMBL1678725</a>";;;;;;;;;-4.74;;;;;;;;;;;;"Bass JY, Caravella JA, Chen L, Creech KL, Deaton DN, Madauss KP, Marr HB, McFadyen RB, Miller AB, Mills WY, Navas F, Parks DJ, Smalley TL, Spearing PK, Todd D, Williams SP, Wisely GB.: Conformationally constrained farnesoid X receptor (FXR) agonists: heteroaryl replacements of the naphthalene. Bioorg Med Chem Lett, Volume 21 (4), 2011";ChEMBL
MM471641;MM471641;CNC(=C[N+](=O)[O-])NCCSCc1ccc(CN(C)C)o1;;314.41;1.46;;;;CHEMBL1790041;MDCK;EMDCK;25;+1,-1;"<a href=https://www.ebi.ac.uk/chembl/assay_report_card/CHEMBL840609/  target=_blank>CHEMBL840609</a>";;;;;;;;;-6.57;;;;;;;;;;;;"Refsgaard HH, Jensen BF, Brockhoff PB, Padkjaer SB, Guldbrandt M, Christensen MS.: In silico prediction of membrane permeability from calculated molecular parameters. J Med Chem, Volume 48 (3), 2005";ChEMBL
MM474963;MM474963;CN1C(=O)C(C(=O)Nc2nncs2)c2cc3occc3cc21;;314.33;1.98;11438405;;;CHEMBL200906;MDCK;EMDCK;25;0;"<a href=https://www.ebi.ac.uk/chembl/assay_report_card/CHEMBL860262/  target=_blank>CHEMBL860262</a>";;;;;;;;;-5.52;;;;;;;;;;;;"Chambers RJ, Abrams K, Garceau NY, Kamath AV, Manley CM, Lilley SC, Otte DA, Scott DO, Sheils AL, Tess DA, Vellekoop AS, Zhang Y, Lam KT.: A new chemical tool for exploring the physiological function of the PDE2 isozyme. Bioorg Med Chem Lett, Volume 16 (2), 2006";ChEMBL
MM474981;MM474981;CC(C)C[C@H](NC(=O)c1cc2ccccc2o1)C(=O)N[C@@H]1C(=O)CN(S(=O)(=O)c2ccccn2)CC[C@@H]1C;LMZYZVWKTJFLSL-KHOMTPLRSA-N;540.64;2.76;;;;;MDCK;EMDCK;25;0;"<a href=https://www.ebi.ac.uk/chembl/assay_report_card/CHEMBL863720/  target=_blank>CHEMBL863720</a>";;;;;;;;;-4.26;;;;;;;;;;;;"Yamashita DS, Marquis RW, Xie R, Nidamarthy SD, Oh HJ, Jeong JU, Erhard KF, Ward KW, Roethke TJ, Smith BR, Cheng HY, Geng X, Lin F, Offen PH, Wang B, Nevins N, Head MS, Haltiwanger RC, Narducci Sarjeant AA, Liable-Sands LM, Zhao B, Smith WW, Janson CA, Gao E, Tomaszek T, McQueney M, James IE, Gress CJ, Zembryki DL, Lark MW, Veber DF.: Structure activity relationships of 5-, 6-, and 7-methyl-substituted azepan-3-one cathepsin K inhibitors. J Med Chem, Volume 49 (5), 2006";ChEMBL
MM474964;MM474964;CCCCC(NC(=O)OC1C(=O)N(C(=O)c2cccnc2)CC1(C)C)C(=O)C(=O)NC(C)c1ccccc1;ONBHKIJPHBOPAS-RZFNWQHOSA-N;522.6;3.19;44409450;;;CHEMBL202723;MDCK;EMDCK;25;0;"<a href=https://www.ebi.ac.uk/chembl/assay_report_card/CHEMBL860621/  target=_blank>CHEMBL860621</a>";;;;;;;;;-4.68;;;;;;;;;;;;"Barrett DG, Catalano JG, Deaton DN, Hassell AM, Long ST, Miller AB, Miller LR, Ray JA, Samano V, Shewchuk LM, Wells-Knecht KJ, Willard DH, Wright LL.: Novel, potent P2-P3 pyrrolidine derivatives of ketoamide-based cathepsin K inhibitors. Bioorg Med Chem Lett, Volume 16 (6), 2006";ChEMBL
MM474991;MM474991;CCCCC(NC(=O)OC(Cn1ccc(-c2ccc(C(F)(F)F)cc2)n1)C(C)(C)C)C(=O)CNS(=O)(=O)c1ccccn1;QQZSKYDYMQGTTF-UKILVPOCSA-N;623.7;5.21;23648431;;;CHEMBL203463;MDCK;EMDCK;25;0;"<a href=https://www.ebi.ac.uk/chembl/assay_report_card/CHEMBL891434/  target=_blank>CHEMBL891434</a>";;;;;;;;;-4.8;;;;;;;;;;;;"Barrett DG, Catalano JG, Deaton DN, Long ST, McFadyen RB, Miller AB, Miller LR, Samano V, Tavares FX, Wells-Knecht KJ, Wright LL, Zhou HQ.: Acyclic, orally bioavailable ketone-based cathepsin K inhibitors. Bioorg Med Chem Lett, Volume 17 (1), 2007";ChEMBL
MM474985;MM474985;CCCCC(C=NNS(=O)(=O)N(C)C)NC(=O)OC(C)(C)C;BJFRDRHGFCXAIX-IWQAVIMZSA-N;336.46;1.45;44408114;;;CHEMBL203501;MDCK;EMDCK;25;0;"<a href=https://www.ebi.ac.uk/chembl/assay_report_card/CHEMBL868303/  target=_blank>CHEMBL868303</a>";;;;;;;;;-4.11;;;;;;;;;;;;"Adkison KK, Barrett DG, Deaton DN, Gampe RT, Hassell AM, Long ST, McFadyen RB, Miller AB, Miller LR, Payne JA, Shewchuk LM, Wells-Knecht KJ, Willard DH, Wright LL.: Semicarbazone-based inhibitors of cathepsin K, are they prodrugs for aldehyde inhibitors? Bioorg Med Chem Lett, Volume 16 (4), 2006";ChEMBL
MM474982;MM474982;CC(C)CC(NC(=O)c1cc2ccccc2o1)C(=O)NC1CCC(C)N(S(=O)(=O)c2ccccn2)CC1=O;BWYBBMQLUKXECQ-GIVPXCGWSA-N;540.64;2.9;6918602;;;CHEMBL203665;MDCK;EMDCK;25;0;"<a href=https://www.ebi.ac.uk/chembl/assay_report_card/CHEMBL863720/  target=_blank>CHEMBL863720</a>";;;;;;;;;-4.33;;;;;;;;;;;;"Yamashita DS, Marquis RW, Xie R, Nidamarthy SD, Oh HJ, Jeong JU, Erhard KF, Ward KW, Roethke TJ, Smith BR, Cheng HY, Geng X, Lin F, Offen PH, Wang B, Nevins N, Head MS, Haltiwanger RC, Narducci Sarjeant AA, Liable-Sands LM, Zhao B, Smith WW, Janson CA, Gao E, Tomaszek T, McQueney M, James IE, Gress CJ, Zembryki DL, Lark MW, Veber DF.: Structure activity relationships of 5-, 6-, and 7-methyl-substituted azepan-3-one cathepsin K inhibitors. J Med Chem, Volume 49 (5), 2006";ChEMBL
MM474986;MM474986;CCCCC(C=NNC(=O)N1CCCC1)NC(=O)OC(C)(C)C;SPKPMLLMVWOADV-VLURKWGBSA-N;326.44;2.86;44408092;;;CHEMBL204103;MDCK;EMDCK;25;0;"<a href=https://www.ebi.ac.uk/chembl/assay_report_card/CHEMBL868303/  target=_blank>CHEMBL868303</a>";;;;;;;;;-4.7;;;;;;;;;;;;"Adkison KK, Barrett DG, Deaton DN, Gampe RT, Hassell AM, Long ST, McFadyen RB, Miller AB, Miller LR, Payne JA, Shewchuk LM, Wells-Knecht KJ, Willard DH, Wright LL.: Semicarbazone-based inhibitors of cathepsin K, are they prodrugs for aldehyde inhibitors? Bioorg Med Chem Lett, Volume 16 (4), 2006";ChEMBL
MM474965;MM474965;CCCCC(NC(=O)OC1C(=O)N(C(=O)Cc2ccccc2)CC1(C)C)C(=O)C(=O)NC(C)c1ccccc1;MGLRRRHJJHGHTM-UVWWXKGLSA-N;535.64;3.72;44409432;;;CHEMBL204284;MDCK;EMDCK;25;0;"<a href=https://www.ebi.ac.uk/chembl/assay_report_card/CHEMBL860621/  target=_blank>CHEMBL860621</a>";;;;;;;;;-4.39;;;;;;;;;;;;"Barrett DG, Catalano JG, Deaton DN, Hassell AM, Long ST, Miller AB, Miller LR, Ray JA, Samano V, Shewchuk LM, Wells-Knecht KJ, Willard DH, Wright LL.: Novel, potent P2-P3 pyrrolidine derivatives of ketoamide-based cathepsin K inhibitors. Bioorg Med Chem Lett, Volume 16 (6), 2006";ChEMBL
MM474987;MM474987;CCCCC(C=NNC(=O)N1CCOCC1)NC(=O)OC(C)Cc1ccccc1;VUVLQWZOUOAKHY-UQQRSYNHSA-N;404.51;2.93;11545899;;;CHEMBL204605;MDCK;EMDCK;25;0;"<a href=https://www.ebi.ac.uk/chembl/assay_report_card/CHEMBL868303/  target=_blank>CHEMBL868303</a>";;;;;;;;;-4.85;;;;;;;;;;;;"Adkison KK, Barrett DG, Deaton DN, Gampe RT, Hassell AM, Long ST, McFadyen RB, Miller AB, Miller LR, Payne JA, Shewchuk LM, Wells-Knecht KJ, Willard DH, Wright LL.: Semicarbazone-based inhibitors of cathepsin K, are they prodrugs for aldehyde inhibitors? Bioorg Med Chem Lett, Volume 16 (4), 2006";ChEMBL
MM474983;MM474983;CC(C)CC(NC(=O)c1cc2ccccc2o1)C(=O)NC1CC(C)CN(S(=O)(=O)c2ccccn2)CC1=O;MCKCVIDASJTQSU-JBACZVJFSA-N;540.64;2.76;11692372;;;CHEMBL205172;MDCK;EMDCK;25;0;"<a href=https://www.ebi.ac.uk/chembl/assay_report_card/CHEMBL863720/  target=_blank>CHEMBL863720</a>";;;;;;;;;-4.31;;;;;;;;;;;;"Yamashita DS, Marquis RW, Xie R, Nidamarthy SD, Oh HJ, Jeong JU, Erhard KF, Ward KW, Roethke TJ, Smith BR, Cheng HY, Geng X, Lin F, Offen PH, Wang B, Nevins N, Head MS, Haltiwanger RC, Narducci Sarjeant AA, Liable-Sands LM, Zhao B, Smith WW, Janson CA, Gao E, Tomaszek T, McQueney M, James IE, Gress CJ, Zembryki DL, Lark MW, Veber DF.: Structure activity relationships of 5-, 6-, and 7-methyl-substituted azepan-3-one cathepsin K inhibitors. J Med Chem, Volume 49 (5), 2006";ChEMBL
MM474988;MM474988;CCCCC(C=NNC(=O)N1CCOCC1)NC(=O)OC(C)(C)C;LOTRMFMPZMRMGH-VLURKWGBSA-N;342.44;2.1;44408016;;;CHEMBL205173;MDCK;EMDCK;25;0;"<a href=https://www.ebi.ac.uk/chembl/assay_report_card/CHEMBL868303/  target=_blank>CHEMBL868303</a>";;;;;;;;;-5.21;;;;;;;;;;;;"Adkison KK, Barrett DG, Deaton DN, Gampe RT, Hassell AM, Long ST, McFadyen RB, Miller AB, Miller LR, Payne JA, Shewchuk LM, Wells-Knecht KJ, Willard DH, Wright LL.: Semicarbazone-based inhibitors of cathepsin K, are they prodrugs for aldehyde inhibitors? Bioorg Med Chem Lett, Volume 16 (4), 2006";ChEMBL
MM474966;MM474966;CCCCC(NC(=O)OC1C(=O)N(C(=O)Nc2ccc(C(F)(F)F)cc2)CC1(C)C)C(=O)C(=O)Nc1ccn[nH]1;PTNBWGAJLBFPEI-QFBILLFUSA-N;566.54;3.69;44409438;;;CHEMBL205659;MDCK;EMDCK;25;0;"<a href=https://www.ebi.ac.uk/chembl/assay_report_card/CHEMBL860621/  target=_blank>CHEMBL860621</a>";;;;;;;;;-5.74;;;;;;;;;;;;"Barrett DG, Catalano JG, Deaton DN, Hassell AM, Long ST, Miller AB, Miller LR, Ray JA, Samano V, Shewchuk LM, Wells-Knecht KJ, Willard DH, Wright LL.: Novel, potent P2-P3 pyrrolidine derivatives of ketoamide-based cathepsin K inhibitors. Bioorg Med Chem Lett, Volume 16 (6), 2006";ChEMBL
MM474967;MM474967;CCCCC(NC(=O)OC1C(=O)N(C(=O)c2nc3ccccc3s2)CC1(C)C)C(=O)C(=O)Nc1ccn[nH]1;YYMVVRDPBXFOTR-HNAYVOBHSA-N;540.6;2.89;44409439;;;CHEMBL206515;MDCK;EMDCK;25;0;"<a href=https://www.ebi.ac.uk/chembl/assay_report_card/CHEMBL860621/  target=_blank>CHEMBL860621</a>";;;;;;;;;-4.6;;;;;;;;;;;;"Barrett DG, Catalano JG, Deaton DN, Hassell AM, Long ST, Miller AB, Miller LR, Ray JA, Samano V, Shewchuk LM, Wells-Knecht KJ, Willard DH, Wright LL.: Novel, potent P2-P3 pyrrolidine derivatives of ketoamide-based cathepsin K inhibitors. Bioorg Med Chem Lett, Volume 16 (6), 2006";ChEMBL
MM474990;MM474990;O=C(O)CCc1ccc(NCc2cccc(Oc3ccccc3)c2)cc1;DGENZVKCTGIDRZ-UHFFFAOYSA-N;347.41;5.11;11595431;;;CHEMBL207881;MDCK;EMDCK;25;0;"<a href=https://www.ebi.ac.uk/chembl/assay_report_card/CHEMBL890950/  target=_blank>CHEMBL890950</a>";;;;;;;;;-4.22;;;;;;;;;;;;"McKeown SC, Corbett DF, Goetz AS, Littleton TR, Bigham E, Briscoe CP, Peat AJ, Watson SP, Hickey DM.: Solid phase synthesis and SAR of small molecule agonists for the GPR40 receptor. Bioorg Med Chem Lett, Volume 17 (6), 2007";ChEMBL
MM475023;MM475023;O=C(Nc1ccccc1F)NC1N=C(c2ccccc2)c2ccccc2NC1=O;MTPVBMVUENFFLL-HXUWFJFHSA-N;388.4;3.76;5279172;;;CHEMBL223402;MDCK;EMDCK;25;0;"<a href=https://www.ebi.ac.uk/chembl/assay_report_card/CHEMBL918041/  target=_blank>CHEMBL918041</a>";;;;;;;;;-4.89;;;;;;;;;;;;"Henderson EA, Alber DG, Baxter RC, Bithell SK, Budworth J, Carter MC, Chubb A, Cockerill GS, Dowdell VC, Fraser IJ, Harris RA, Keegan SJ, Kelsey RD, Lumley JA, Stables JN, Weerasekera N, Wilson LJ, Powell KL.: 1,4-benzodiazepines as inhibitors of respiratory syncytial virus. The identification of a clinical candidate. J Med Chem, Volume 50 (7), 2007";ChEMBL
MM475009;MM475009;COc1ccccc1NC(=O)Nc1ccc(CC(=O)N2C[C@@H](F)C[C@H]2COc2ccc(C(=O)O)cc2)cc1OC;UIGJZBBMXXMIRM-SFTDATJTSA-N;551.57;4.61;;;;;MDCK;EMDCK;25;0;"<a href=https://www.ebi.ac.uk/chembl/assay_report_card/CHEMBL903787/  target=_blank>CHEMBL903787</a>";;;;;;;;;-6.36;;;;;;;;;;;;"Chiba J, Iimura S, Yoneda Y, Watanabe T, Muro F, Tsubokawa M, Iigou Y, Satoh A, Takayama G, Yokoyama M, Takashi T, Nakayama A, Machinaga N.: Synthesis and biological evaluation of benzoic acid derivatives as potent, orally active VLA-4 antagonists. Bioorg Med Chem, Volume 15 (4), 2007";ChEMBL
MM475010;MM475010;Cc1cc(CC(=O)N2C[C@@H](F)C[C@H]2COc2ccc(C(=O)O)cc2)ccc1NC(=O)Nc1ccccc1Br;QQBPXAXSFYBAFJ-SFTDATJTSA-N;584.44;5.66;;;;;MDCK;EMDCK;25;0;"<a href=https://www.ebi.ac.uk/chembl/assay_report_card/CHEMBL903787/  target=_blank>CHEMBL903787</a>";;;;;;;;;-5.52;;;;;;;;;;;;"Chiba J, Iimura S, Yoneda Y, Watanabe T, Muro F, Tsubokawa M, Iigou Y, Satoh A, Takayama G, Yokoyama M, Takashi T, Nakayama A, Machinaga N.: Synthesis and biological evaluation of benzoic acid derivatives as potent, orally active VLA-4 antagonists. Bioorg Med Chem, Volume 15 (4), 2007";ChEMBL
MM475011;MM475011;O=C(Nc1ccccc1Cl)Nc1ccc(CC(=O)N2CC(F)CC2COc2ccc(C(=O)O)cc2)cc1Br;DJDNQYHILBKCSK-OALUTQOASA-N;604.86;6.01;23647832;;;CHEMBL228730;MDCK;EMDCK;25;0;"<a href=https://www.ebi.ac.uk/chembl/assay_report_card/CHEMBL903787/  target=_blank>CHEMBL903787</a>";;;;;;;;;-5.35;;;;;;;;;;;;"Chiba J, Iimura S, Yoneda Y, Watanabe T, Muro F, Tsubokawa M, Iigou Y, Satoh A, Takayama G, Yokoyama M, Takashi T, Nakayama A, Machinaga N.: Synthesis and biological evaluation of benzoic acid derivatives as potent, orally active VLA-4 antagonists. Bioorg Med Chem, Volume 15 (4), 2007";ChEMBL
MM475012;MM475012;O=C(Nc1ccccc1Br)Nc1ccc(CC(=O)N2CC(F)CC2COc2ccc(C(=O)O)cc2)cc1Br;QEPXZBPJIPFLAZ-OALUTQOASA-N;649.31;6.11;23647835;;;CHEMBL228731;MDCK;EMDCK;25;0;"<a href=https://www.ebi.ac.uk/chembl/assay_report_card/CHEMBL903787/  target=_blank>CHEMBL903787</a>";;;;;;;;;-5.47;;;;;;;;;;;;"Chiba J, Iimura S, Yoneda Y, Watanabe T, Muro F, Tsubokawa M, Iigou Y, Satoh A, Takayama G, Yokoyama M, Takashi T, Nakayama A, Machinaga N.: Synthesis and biological evaluation of benzoic acid derivatives as potent, orally active VLA-4 antagonists. Bioorg Med Chem, Volume 15 (4), 2007";ChEMBL
MM474992;MM474992;CCCCC(NC(=O)OC(Cn1ccc(C(F)(F)F)n1)C(C)(C)C)C(=O)CNS(=O)(=O)c1ccccn1;ZPQUDRGVSRMTTR-QFBILLFUSA-N;547.6;3.54;23648433;;;CHEMBL232518;MDCK;EMDCK;25;0;"<a href=https://www.ebi.ac.uk/chembl/assay_report_card/CHEMBL891434/  target=_blank>CHEMBL891434</a>";;;;;;;;;-4.47;;;;;;;;;;;;"Barrett DG, Catalano JG, Deaton DN, Long ST, McFadyen RB, Miller AB, Miller LR, Samano V, Tavares FX, Wells-Knecht KJ, Wright LL, Zhou HQ.: Acyclic, orally bioavailable ketone-based cathepsin K inhibitors. Bioorg Med Chem Lett, Volume 17 (1), 2007";ChEMBL
MM474993;MM474993;CCCCC(NC(=O)OC(Cn1cnc2cc(Cl)c(Cl)cc21)C(C)(C)C)C(=O)CNS(=O)(=O)c1ccccn1;CTAIZAPBSQNUAF-WMZHIEFXSA-N;598.55;4.99;23648438;;;CHEMBL232713;MDCK;EMDCK;25;0;"<a href=https://www.ebi.ac.uk/chembl/assay_report_card/CHEMBL891434/  target=_blank>CHEMBL891434</a>";;;;;;;;;-4.82;;;;;;;;;;;;"Barrett DG, Catalano JG, Deaton DN, Long ST, McFadyen RB, Miller AB, Miller LR, Samano V, Tavares FX, Wells-Knecht KJ, Wright LL, Zhou HQ.: Acyclic, orally bioavailable ketone-based cathepsin K inhibitors. Bioorg Med Chem Lett, Volume 17 (1), 2007";ChEMBL
MM474994;MM474994;CCCC[C@H](NC(=O)O[C@H](Cn1cnc(-c2ccc(C(F)(F)F)cc2)c1)C(C)(C)C)C(=O)CNS(=O)(=O)c1ccccn1;XHGOLGYGBDIOFD-WIOPSUGQSA-N;623.7;5.21;;;;;MDCK;EMDCK;25;0;"<a href=https://www.ebi.ac.uk/chembl/assay_report_card/CHEMBL891434/  target=_blank>CHEMBL891434</a>";;;;;;;;;-4.72;;;;;;;;;;;;"Barrett DG, Catalano JG, Deaton DN, Long ST, McFadyen RB, Miller AB, Miller LR, Samano V, Tavares FX, Wells-Knecht KJ, Wright LL, Zhou HQ.: Acyclic, orally bioavailable ketone-based cathepsin K inhibitors. Bioorg Med Chem Lett, Volume 17 (1), 2007";ChEMBL
MM474995;MM474995;CCCCC(NC(=O)OC(Cn1ccc(-c2ccc(C(F)(F)F)cc2)n1)C(C)(C)C)C(=O)C(=O)Nc1ccn[nH]1;NFPHFQIUODNJRD-LEWJYISDSA-N;562.59;5.2;10231379;;;CHEMBL234367;MDCK;EMDCK;25;0;"<a href=https://www.ebi.ac.uk/chembl/assay_report_card/CHEMBL891434/  target=_blank>CHEMBL891434</a>";;;;;;;;;-5.04;;;;;;;;;;;;"Barrett DG, Catalano JG, Deaton DN, Long ST, McFadyen RB, Miller AB, Miller LR, Samano V, Tavares FX, Wells-Knecht KJ, Wright LL, Zhou HQ.: Acyclic, orally bioavailable ketone-based cathepsin K inhibitors. Bioorg Med Chem Lett, Volume 17 (1), 2007";ChEMBL
MM475024;MM475024;CCC(C)C(S)C(=O)NC(Cc1ccccc1Oc1ccccc1)C(=O)O;NJJGKDPBXMIWPF-LJHODMEESA-N;387.5;3.94;44446967;;;CHEMBL251804;MDCK;EMDCK;25;0;"<a href=https://www.ebi.ac.uk/chembl/assay_report_card/CHEMBL928322/  target=_blank>CHEMBL928322</a>";;;;;;;;;-6.3;;;;;;;;;;;;"Deaton DN, Graham KP, Gross JW, Miller AB.: Thiol-based angiotensin-converting enzyme 2 inhibitors: P1' modifications for the exploration of the S1' subsite. Bioorg Med Chem Lett, Volume 18 (5), 2008";ChEMBL
MM475025;MM475025;CCC(C)C(S)C(=O)NC(Cc1ccc(OCc2ccc(F)c(F)c2)cc1)C(=O)O;RBSIIEZEHKNSIW-CWVNLOTRSA-N;437.51;4;44446979;;;CHEMBL251808;MDCK;EMDCK;25;0;"<a href=https://www.ebi.ac.uk/chembl/assay_report_card/CHEMBL928322/  target=_blank>CHEMBL928322</a>";;;;;;;;;-6.3;;;;;;;;;;;;"Deaton DN, Graham KP, Gross JW, Miller AB.: Thiol-based angiotensin-converting enzyme 2 inhibitors: P1' modifications for the exploration of the S1' subsite. Bioorg Med Chem Lett, Volume 18 (5), 2008";ChEMBL
MM475026;MM475026;CCC(C)C(S)C(=O)NC(Cc1ccc(OCc2ccc(C(F)(F)F)cc2)cc1)C(=O)O;SPKWKCKXVBTLTB-UAOJZALGSA-N;469.53;4.74;44446980;;;CHEMBL251809;MDCK;EMDCK;25;0;"<a href=https://www.ebi.ac.uk/chembl/assay_report_card/CHEMBL928322/  target=_blank>CHEMBL928322</a>";;;;;;;;;-6.3;;;;;;;;;;;;"Deaton DN, Graham KP, Gross JW, Miller AB.: Thiol-based angiotensin-converting enzyme 2 inhibitors: P1' modifications for the exploration of the S1' subsite. Bioorg Med Chem Lett, Volume 18 (5), 2008";ChEMBL
MM475027;MM475027;CCC(C)C(S)C(=O)NC(Cc1cccc(Oc2ccccc2)c1)C(=O)O;BVTSBOHKQXLEPE-CCKFTAQKSA-N;387.5;3.94;44446968;;;CHEMBL252003;MDCK;EMDCK;25;0;"<a href=https://www.ebi.ac.uk/chembl/assay_report_card/CHEMBL928322/  target=_blank>CHEMBL928322</a>";;;;;;;;;-6.3;;;;;;;;;;;;"Deaton DN, Graham KP, Gross JW, Miller AB.: Thiol-based angiotensin-converting enzyme 2 inhibitors: P1' modifications for the exploration of the S1' subsite. Bioorg Med Chem Lett, Volume 18 (5), 2008";ChEMBL
MM475028;MM475028;CCC(C)C(S)C(=O)NC(Cc1ccc(OCc2cc(C(F)(F)F)cc(C(F)(F)F)c2)cc1)C(=O)O;XQUOBCBFYSAISV-CWVNLOTRSA-N;537.52;5.76;44446984;;;CHEMBL252009;MDCK;EMDCK;25;0;"<a href=https://www.ebi.ac.uk/chembl/assay_report_card/CHEMBL928322/  target=_blank>CHEMBL928322</a>";;;;;;;;;-6.3;;;;;;;;;;;;"Deaton DN, Graham KP, Gross JW, Miller AB.: Thiol-based angiotensin-converting enzyme 2 inhibitors: P1' modifications for the exploration of the S1' subsite. Bioorg Med Chem Lett, Volume 18 (5), 2008";ChEMBL
MM475029;MM475029;CCC(C)C(S)C(=O)NC(Cc1ccc(-c2ccccc2)cc1)C(=O)O;BKIADFDXLKFQRT-CCKFTAQKSA-N;371.5;3.81;44446952;;;CHEMBL252391;MDCK;EMDCK;25;0;"<a href=https://www.ebi.ac.uk/chembl/assay_report_card/CHEMBL928322/  target=_blank>CHEMBL928322</a>";;;;;;;;;-6.3;;;;;;;;;;;;"Deaton DN, Graham KP, Gross JW, Miller AB.: Thiol-based angiotensin-converting enzyme 2 inhibitors: P1' modifications for the exploration of the S1' subsite. Bioorg Med Chem Lett, Volume 18 (5), 2008";ChEMBL
MM475030;MM475030;CCC(C)C(S)C(=O)NC(Cc1ccc(O)cc1)C(=O)O;KSLQUEKUGQKSAJ-ICCXJUOJSA-N;311.4;1.85;44446957;;;CHEMBL253224;MDCK;EMDCK;25;0;"<a href=https://www.ebi.ac.uk/chembl/assay_report_card/CHEMBL928322/  target=_blank>CHEMBL928322</a>";;;;;;;;;-6.3;;;;;;;;;;;;"Deaton DN, Graham KP, Gross JW, Miller AB.: Thiol-based angiotensin-converting enzyme 2 inhibitors: P1' modifications for the exploration of the S1' subsite. Bioorg Med Chem Lett, Volume 18 (5), 2008";ChEMBL
MM475031;MM475031;CCC(C)C(S)C(=O)NC(Cc1ccc2ccccc2c1)C(=O)O;DOLNCCYFNWYJPI-DQYPLSBCSA-N;345.46;3.3;44446960;;;CHEMBL253428;MDCK;EMDCK;25;0;"<a href=https://www.ebi.ac.uk/chembl/assay_report_card/CHEMBL928322/  target=_blank>CHEMBL928322</a>";;;;;;;;;-6.3;;;;;;;;;;;;"Deaton DN, Graham KP, Gross JW, Miller AB.: Thiol-based angiotensin-converting enzyme 2 inhibitors: P1' modifications for the exploration of the S1' subsite. Bioorg Med Chem Lett, Volume 18 (5), 2008";ChEMBL
MM475032;MM475032;CCC(C)C(S)C(=O)NC(Cc1ccc(Oc2ccccc2)cc1)C(=O)O;HRBJATPCNVWLGP-CCKFTAQKSA-N;387.5;3.94;44446969;;;CHEMBL254282;MDCK;EMDCK;25;0;"<a href=https://www.ebi.ac.uk/chembl/assay_report_card/CHEMBL928322/  target=_blank>CHEMBL928322</a>";;;;;;;;;-6.3;;;;;;;;;;;;"Deaton DN, Graham KP, Gross JW, Miller AB.: Thiol-based angiotensin-converting enzyme 2 inhibitors: P1' modifications for the exploration of the S1' subsite. Bioorg Med Chem Lett, Volume 18 (5), 2008";ChEMBL
MM475033;MM475033;CCC(C)C(S)C(=O)NC(Cc1ccccc1OCc1ccccc1)C(=O)O;KWBQBHZSTYVPSB-BPAFIMBUSA-N;401.53;3.72;44446970;;;CHEMBL254493;MDCK;EMDCK;25;0;"<a href=https://www.ebi.ac.uk/chembl/assay_report_card/CHEMBL928322/  target=_blank>CHEMBL928322</a>";;;;;;;;;-6.3;;;;;;;;;;;;"Deaton DN, Graham KP, Gross JW, Miller AB.: Thiol-based angiotensin-converting enzyme 2 inhibitors: P1' modifications for the exploration of the S1' subsite. Bioorg Med Chem Lett, Volume 18 (5), 2008";ChEMBL
MM475034;MM475034;CCC(C)C(S)C(=O)NC(Cc1cccc(OCc2ccccc2)c1)C(=O)O;HSJQIQUIXIQNLN-XPGWFJOJSA-N;401.53;3.72;44446972;;;CHEMBL254495;MDCK;EMDCK;25;0;"<a href=https://www.ebi.ac.uk/chembl/assay_report_card/CHEMBL928322/  target=_blank>CHEMBL928322</a>";;;;;;;;;-6.3;;;;;;;;;;;;"Deaton DN, Graham KP, Gross JW, Miller AB.: Thiol-based angiotensin-converting enzyme 2 inhibitors: P1' modifications for the exploration of the S1' subsite. Bioorg Med Chem Lett, Volume 18 (5), 2008";ChEMBL
MM475035;MM475035;CCC(C)C(S)C(=O)NC(Cc1ccc(OCc2ccccc2)cc1)C(=O)O;RUTFYHHMLQZRQB-XPGWFJOJSA-N;401.53;3.72;44446974;;;CHEMBL254703;MDCK;EMDCK;25;0;"<a href=https://www.ebi.ac.uk/chembl/assay_report_card/CHEMBL928322/  target=_blank>CHEMBL928322</a>";;;;;;;;;-6.3;;;;;;;;;;;;"Deaton DN, Graham KP, Gross JW, Miller AB.: Thiol-based angiotensin-converting enzyme 2 inhibitors: P1' modifications for the exploration of the S1' subsite. Bioorg Med Chem Lett, Volume 18 (5), 2008";ChEMBL
MM475036;MM475036;CCC(C)C(S)C(=O)NC(C)C(=O)O;OUSUIQLLVUDFMT-VQVTYTSYSA-N;219.31;0.92;44446954;;;CHEMBL254900;MDCK;EMDCK;25;0;"<a href=https://www.ebi.ac.uk/chembl/assay_report_card/CHEMBL928322/  target=_blank>CHEMBL928322</a>";;;;;;;;;-6.3;;;;;;;;;;;;"Deaton DN, Graham KP, Gross JW, Miller AB.: Thiol-based angiotensin-converting enzyme 2 inhibitors: P1' modifications for the exploration of the S1' subsite. Bioorg Med Chem Lett, Volume 18 (5), 2008";ChEMBL
MM475037;MM475037;CCC(C)C(S)C(=O)NC(Cc1ccc(OCc2ccc(F)cc2)cc1)C(=O)O;KZAYYAIBZWKHEY-UAOJZALGSA-N;419.52;3.86;44446975;;;CHEMBL254911;MDCK;EMDCK;25;0;"<a href=https://www.ebi.ac.uk/chembl/assay_report_card/CHEMBL928322/  target=_blank>CHEMBL928322</a>";;;;;;;;;-6.3;;;;;;;;;;;;"Deaton DN, Graham KP, Gross JW, Miller AB.: Thiol-based angiotensin-converting enzyme 2 inhibitors: P1' modifications for the exploration of the S1' subsite. Bioorg Med Chem Lett, Volume 18 (5), 2008";ChEMBL
MM475054;MM475054;COc1ccc(-c2ccc(-n3cc(NC(N)=O)c(C(N)=O)n3)cc2F)cc1C;VMXKKYTUPXTLIY-UHFFFAOYSA-N;383.38;2.58;;;;;MDCK;EMDCK;25;0;"<a href=https://www.ebi.ac.uk/chembl/assay_report_card/CHEMBL952863/  target=_blank>CHEMBL952863</a>";;;;;;;;;-5.52;;;;;;;;;;;;"Lai Y, Xing L, Poda GI, Hu Y.: Structure-activity relationships for interaction with multidrug resistance protein 2 (ABCC2/MRP2): the role of torsion angle for a series of biphenyl-substituted heterocycles. Drug Metab Dispos, Volume 35 (6), 2007";ChEMBL
MM475055;MM475055;NC(=O)Nc1cn(-c2ccc(-c3ccc(O)c(F)c3)c(O)c2)nc1C(N)=O;OJDXZMSTKRWOLB-UHFFFAOYSA-N;371.33;1.68;;;;;MDCK;EMDCK;25;0;"<a href=https://www.ebi.ac.uk/chembl/assay_report_card/CHEMBL952863/  target=_blank>CHEMBL952863</a>";;;;;;;;;-5.52;;;;;;;;;;;;"Lai Y, Xing L, Poda GI, Hu Y.: Structure-activity relationships for interaction with multidrug resistance protein 2 (ABCC2/MRP2): the role of torsion angle for a series of biphenyl-substituted heterocycles. Drug Metab Dispos, Volume 35 (6), 2007";ChEMBL
MM475056;MM475056;Cc1cc(-c2ccc(-n3cc(NC(N)=O)c(C(N)=O)n3)cc2)cc(C)c1O;BPBKICHTDUGKBZ-UHFFFAOYSA-N;365.39;2.45;;;;;MDCK;EMDCK;25;0;"<a href=https://www.ebi.ac.uk/chembl/assay_report_card/CHEMBL952863/  target=_blank>CHEMBL952863</a>";;;;;;;;;-5.52;;;;;;;;;;;;"Lai Y, Xing L, Poda GI, Hu Y.: Structure-activity relationships for interaction with multidrug resistance protein 2 (ABCC2/MRP2): the role of torsion angle for a series of biphenyl-substituted heterocycles. Drug Metab Dispos, Volume 35 (6), 2007";ChEMBL
MM475057;MM475057;CCOc1cc(-n2cc(NC(N)=O)c(C(N)=O)n2)ccc1-c1ccc(O)c(F)c1;XMRUQTFGZYEAPD-UHFFFAOYSA-N;399.38;2.37;;;;;MDCK;EMDCK;25;0;"<a href=https://www.ebi.ac.uk/chembl/assay_report_card/CHEMBL952863/  target=_blank>CHEMBL952863</a>";;;;;;;;;-5.52;;;;;;;;;;;;"Lai Y, Xing L, Poda GI, Hu Y.: Structure-activity relationships for interaction with multidrug resistance protein 2 (ABCC2/MRP2): the role of torsion angle for a series of biphenyl-substituted heterocycles. Drug Metab Dispos, Volume 35 (6), 2007";ChEMBL
MM475058;MM475058;NC(=O)Nc1cn(-c2ccc(-c3ccc(O)c(O)c3)cc2)nc1C(N)=O;WBAXMDZQOGAPPQ-UHFFFAOYSA-N;353.34;1.54;;;;;MDCK;EMDCK;25;0;"<a href=https://www.ebi.ac.uk/chembl/assay_report_card/CHEMBL952863/  target=_blank>CHEMBL952863</a>";;;;;;;;;-5.52;;;;;;;;;;;;"Lai Y, Xing L, Poda GI, Hu Y.: Structure-activity relationships for interaction with multidrug resistance protein 2 (ABCC2/MRP2): the role of torsion angle for a series of biphenyl-substituted heterocycles. Drug Metab Dispos, Volume 35 (6), 2007";ChEMBL
MM475059;MM475059;COc1ccc(-c2ccc(-n3cc(NC(N)=O)c(C(N)=O)n3)cc2C)cc1C;PPZKBXPUTQVUBO-UHFFFAOYSA-N;379.42;2.75;;;;;MDCK;EMDCK;25;0;"<a href=https://www.ebi.ac.uk/chembl/assay_report_card/CHEMBL952863/  target=_blank>CHEMBL952863</a>";;;;;;;;;-5.52;;;;;;;;;;;;"Lai Y, Xing L, Poda GI, Hu Y.: Structure-activity relationships for interaction with multidrug resistance protein 2 (ABCC2/MRP2): the role of torsion angle for a series of biphenyl-substituted heterocycles. Drug Metab Dispos, Volume 35 (6), 2007";ChEMBL
MM475060;MM475060;Cc1cc(-n2cc(NC(N)=O)c(C(N)=O)n2)ccc1-c1ccc(O)c(F)c1;UHYFVRLAOSAAHV-UHFFFAOYSA-N;369.36;2.28;;;;;MDCK;EMDCK;25;0;"<a href=https://www.ebi.ac.uk/chembl/assay_report_card/CHEMBL952863/  target=_blank>CHEMBL952863</a>";;;;;;;;;-5.52;;;;;;;;;;;;"Lai Y, Xing L, Poda GI, Hu Y.: Structure-activity relationships for interaction with multidrug resistance protein 2 (ABCC2/MRP2): the role of torsion angle for a series of biphenyl-substituted heterocycles. Drug Metab Dispos, Volume 35 (6), 2007";ChEMBL
MM475061;MM475061;Cc1cc(O)ccc1-c1ccc(-n2cc(NC(N)=O)c(C(N)=O)n2)cc1;UVYTZSAHTTUFBW-UHFFFAOYSA-N;351.37;2.14;;;;;MDCK;EMDCK;25;0;"<a href=https://www.ebi.ac.uk/chembl/assay_report_card/CHEMBL952863/  target=_blank>CHEMBL952863</a>";;;;;;;;;-5.52;;;;;;;;;;;;"Lai Y, Xing L, Poda GI, Hu Y.: Structure-activity relationships for interaction with multidrug resistance protein 2 (ABCC2/MRP2): the role of torsion angle for a series of biphenyl-substituted heterocycles. Drug Metab Dispos, Volume 35 (6), 2007";ChEMBL
MM475062;MM475062;COc1cc(F)c(-c2ccc(-n3cc(NC(N)=O)c(C(N)=O)n3)cc2C)c(F)c1;KVLVWTNOGZYWTP-UHFFFAOYSA-N;401.37;2.72;;;;;MDCK;EMDCK;25;0;"<a href=https://www.ebi.ac.uk/chembl/assay_report_card/CHEMBL952863/  target=_blank>CHEMBL952863</a>";;;;;;;;;-5.52;;;;;;;;;;;;"Lai Y, Xing L, Poda GI, Hu Y.: Structure-activity relationships for interaction with multidrug resistance protein 2 (ABCC2/MRP2): the role of torsion angle for a series of biphenyl-substituted heterocycles. Drug Metab Dispos, Volume 35 (6), 2007";ChEMBL
MM475063;MM475063;NC(=O)Nc1cn(-c2ccc(-c3ccc(O)cc3)c(Cl)c2)nc1C(N)=O;PWIMNIIIHHNFLT-UHFFFAOYSA-N;371.78;2.49;;;;;MDCK;EMDCK;25;0;"<a href=https://www.ebi.ac.uk/chembl/assay_report_card/CHEMBL952863/  target=_blank>CHEMBL952863</a>";;;;;;;;;-5.52;;;;;;;;;;;;"Lai Y, Xing L, Poda GI, Hu Y.: Structure-activity relationships for interaction with multidrug resistance protein 2 (ABCC2/MRP2): the role of torsion angle for a series of biphenyl-substituted heterocycles. Drug Metab Dispos, Volume 35 (6), 2007";ChEMBL
MM475064;MM475064;COc1cc(-c2ccc(-n3cc(NC(N)=O)c(C(N)=O)n3)cc2C)ccc1O;SSKUYPHIUNEULS-UHFFFAOYSA-N;381.39;2.15;;;;;MDCK;EMDCK;25;0;"<a href=https://www.ebi.ac.uk/chembl/assay_report_card/CHEMBL952863/  target=_blank>CHEMBL952863</a>";;;;;;;;;-5.52;;;;;;;;;;;;"Lai Y, Xing L, Poda GI, Hu Y.: Structure-activity relationships for interaction with multidrug resistance protein 2 (ABCC2/MRP2): the role of torsion angle for a series of biphenyl-substituted heterocycles. Drug Metab Dispos, Volume 35 (6), 2007";ChEMBL
MM475065;MM475065;Cc1cc(-n2cc(NC(N)=O)c(C(N)=O)n2)ccc1-c1cc(C)c(O)c(Br)c1;AYJZGZZDRNHTDA-UHFFFAOYSA-N;444.29;3.21;;;;;MDCK;EMDCK;25;0;"<a href=https://www.ebi.ac.uk/chembl/assay_report_card/CHEMBL952863/  target=_blank>CHEMBL952863</a>";;;;;;;;;-5.52;;;;;;;;;;;;"Lai Y, Xing L, Poda GI, Hu Y.: Structure-activity relationships for interaction with multidrug resistance protein 2 (ABCC2/MRP2): the role of torsion angle for a series of biphenyl-substituted heterocycles. Drug Metab Dispos, Volume 35 (6), 2007";ChEMBL
MM475066;MM475066;Cc1cc(O)ccc1-c1ccc(-n2cc(NC(N)=O)c(C(N)=O)n2)cc1C;TZZSQLUXEXIBKL-UHFFFAOYSA-N;365.39;2.45;;;;;MDCK;EMDCK;25;0;"<a href=https://www.ebi.ac.uk/chembl/assay_report_card/CHEMBL952863/  target=_blank>CHEMBL952863</a>";;;;;;;;;-5.52;;;;;;;;;;;;"Lai Y, Xing L, Poda GI, Hu Y.: Structure-activity relationships for interaction with multidrug resistance protein 2 (ABCC2/MRP2): the role of torsion angle for a series of biphenyl-substituted heterocycles. Drug Metab Dispos, Volume 35 (6), 2007";ChEMBL
Propranolol;MM00085;CC(C)NCC(O)COc1cccc2ccccc12;AQHHHDLHHXJYJD-UHFFFAOYSA-N;259.35;2.58;4946;DB00571;;CHEMBL27;MDCK;EMDCK;25;0;"<a href=https://www.ebi.ac.uk/chembl/assay_report_card/CHEMBL840609/  target=_blank>CHEMBL840609</a>";;;;;;;;;-4.46;;;;;;;;;;;;"Refsgaard HH, Jensen BF, Brockhoff PB, Padkjaer SB, Guldbrandt M, Christensen MS.: In silico prediction of membrane permeability from calculated molecular parameters. J Med Chem, Volume 48 (3), 2005";ChEMBL
MM475013;MM475013;COc1cc(CC(=O)N2CC(F)CC2COc2ccc(C(=O)O)cc2)ccc1NC(=O)Nc1ccccc1Br;XFVTZTQCGZVSDX-PMACEKPBSA-N;600.44;5.36;9960341;;;CHEMBL274350;MDCK;EMDCK;25;0;"<a href=https://www.ebi.ac.uk/chembl/assay_report_card/CHEMBL903787/  target=_blank>CHEMBL903787</a>";;;;;;;;;-5.58;;;;;;;;;;;;"Chiba J, Iimura S, Yoneda Y, Watanabe T, Muro F, Tsubokawa M, Iigou Y, Satoh A, Takayama G, Yokoyama M, Takashi T, Nakayama A, Machinaga N.: Synthesis and biological evaluation of benzoic acid derivatives as potent, orally active VLA-4 antagonists. Bioorg Med Chem, Volume 15 (4), 2007";ChEMBL
MM475067;MM475067;Cc1cc(-c2ccc(-n3cc(NC(N)=O)c(C(N)=O)n3)cc2F)ccc1O;MRNIIMUYTPPZDO-UHFFFAOYSA-N;369.36;2.28;;;;;MDCK;EMDCK;25;0;"<a href=https://www.ebi.ac.uk/chembl/assay_report_card/CHEMBL952863/  target=_blank>CHEMBL952863</a>";;;;;;;;;-5.52;;;;;;;;;;;;"Lai Y, Xing L, Poda GI, Hu Y.: Structure-activity relationships for interaction with multidrug resistance protein 2 (ABCC2/MRP2): the role of torsion angle for a series of biphenyl-substituted heterocycles. Drug Metab Dispos, Volume 35 (6), 2007";ChEMBL
MM474984;MM474984;CC(C)CC(NC(=O)c1cc2ccccc2o1)C(=O)NC1CCCN(S(=O)(=O)c2ccccn2)CC1=O;VBPPNJCVXGAZDD-PMACEKPBSA-N;526.62;2.51;5287468;;;CHEMBL286364;MDCK;EMDCK;25;0;"<a href=https://www.ebi.ac.uk/chembl/assay_report_card/CHEMBL863720/  target=_blank>CHEMBL863720</a>";;;;;;;;;-4.24;;;;;;;;;;;;"Yamashita DS, Marquis RW, Xie R, Nidamarthy SD, Oh HJ, Jeong JU, Erhard KF, Ward KW, Roethke TJ, Smith BR, Cheng HY, Geng X, Lin F, Offen PH, Wang B, Nevins N, Head MS, Haltiwanger RC, Narducci Sarjeant AA, Liable-Sands LM, Zhao B, Smith WW, Janson CA, Gao E, Tomaszek T, McQueney M, James IE, Gress CJ, Zembryki DL, Lark MW, Veber DF.: Structure activity relationships of 5-, 6-, and 7-methyl-substituted azepan-3-one cathepsin K inhibitors. J Med Chem, Volume 49 (5), 2006";ChEMBL
MM474950;MM474950;Fc1ccc(C=NNc2ncnc3c2cnn3-c2ccccc2)cc1;WXZHKVLOSBCWDY-LSHDLFTRSA-N;332.34;3.4;44307910;;;CHEMBL303926;MDCK;EMDCK;25;0;"<a href=https://www.ebi.ac.uk/chembl/assay_report_card/CHEMBL713284/  target=_blank>CHEMBL713284</a>";;;;;;;;;-6.3;;;;;;;;;;;;"Peat AJ, Garrido D, Boucheron JA, Schweiker SL, Dickerson SH, Wilson JR, Wang TY, Thomson SA.: Novel GSK-3 inhibitors with improved cellular activity. Bioorg Med Chem Lett, Volume 14 (9), 2004";ChEMBL
MM474951;MM474951;CN(C)CCNC(=O)c1ccc(C=NNc2ncnc3c2cnn3-c2cccc3[nH]cnc23)cc1;QNUBZASKWDMCAQ-PNQUVVCRSA-N;468.53;2.43;44307734;;;CHEMBL304533;MDCK;EMDCK;25;0;"<a href=https://www.ebi.ac.uk/chembl/assay_report_card/CHEMBL713284/  target=_blank>CHEMBL713284</a>";;;;;;;;;-5.82;;;;;;;;;;;;"Peat AJ, Garrido D, Boucheron JA, Schweiker SL, Dickerson SH, Wilson JR, Wang TY, Thomson SA.: Novel GSK-3 inhibitors with improved cellular activity. Bioorg Med Chem Lett, Volume 14 (9), 2004";ChEMBL
MM474952;MM474952;COc1cccc(-n2ncc3c(NN=Cc4ccncc4)ncnc32)c1;PVIMTNAWPMEBAK-LSHDLFTRSA-N;345.37;2.67;9604911;;;CHEMBL306865;MDCK;EMDCK;25;0;"<a href=https://www.ebi.ac.uk/chembl/assay_report_card/CHEMBL713284/  target=_blank>CHEMBL713284</a>";;;;;;;;;-4.9;;;;;;;;;;;;"Peat AJ, Garrido D, Boucheron JA, Schweiker SL, Dickerson SH, Wilson JR, Wang TY, Thomson SA.: Novel GSK-3 inhibitors with improved cellular activity. Bioorg Med Chem Lett, Volume 14 (9), 2004";ChEMBL
Furosemide;MM00083;NS(=O)(=O)c1cc(C(=O)O)c(NCc2ccco2)cc1Cl;ZZUFCTLCJUWOSV-UHFFFAOYSA-N;330.75;1.89;3440;DB00695;FUN;CHEMBL35;MDCK;EMDCK;25;0;"<a href=https://www.ebi.ac.uk/chembl/assay_report_card/CHEMBL840609/  target=_blank>CHEMBL840609</a>";;;;;;;;;-6.57;;;;;;;;;;;;"Refsgaard HH, Jensen BF, Brockhoff PB, Padkjaer SB, Guldbrandt M, Christensen MS.: In silico prediction of membrane permeability from calculated molecular parameters. J Med Chem, Volume 48 (3), 2005";ChEMBL
MM474968;MM474968;CCCCC(NC(=O)OC1C(=O)N(C(=O)Nc2c(C)noc2C)CC1(C)C)C(=O)C(=O)NC(C)c1ccccc1;JBAPSUGYURPCRH-NIJIEXERSA-N;555.63;3.79;44409451;;;CHEMBL381394;MDCK;EMDCK;25;0;"<a href=https://www.ebi.ac.uk/chembl/assay_report_card/CHEMBL860621/  target=_blank>CHEMBL860621</a>";;;;;;;;;-5.92;;;;;;;;;;;;"Barrett DG, Catalano JG, Deaton DN, Hassell AM, Long ST, Miller AB, Miller LR, Ray JA, Samano V, Shewchuk LM, Wells-Knecht KJ, Willard DH, Wright LL.: Novel, potent P2-P3 pyrrolidine derivatives of ketoamide-based cathepsin K inhibitors. Bioorg Med Chem Lett, Volume 16 (6), 2006";ChEMBL
MM474989;MM474989;CCCCC(C=NNC(=O)N1CCc2ccccc21)NC(=O)OC(C)(C)C;XFJFXJUUFGRLHF-YIRPMMGJSA-N;374.49;3.83;44408017;;;CHEMBL381715;MDCK;EMDCK;25;0;"<a href=https://www.ebi.ac.uk/chembl/assay_report_card/CHEMBL868303/  target=_blank>CHEMBL868303</a>";;;;;;;;;-4.82;;;;;;;;;;;;"Adkison KK, Barrett DG, Deaton DN, Gampe RT, Hassell AM, Long ST, McFadyen RB, Miller AB, Miller LR, Payne JA, Shewchuk LM, Wells-Knecht KJ, Willard DH, Wright LL.: Semicarbazone-based inhibitors of cathepsin K, are they prodrugs for aldehyde inhibitors? Bioorg Med Chem Lett, Volume 16 (4), 2006";ChEMBL
MM474969;MM474969;CCCCC(NC(=O)OC1C(=O)N(C(=O)NCc2ccccc2)CC1(C)C)C(=O)C(=O)NC(C)c1ccccc1;DEAALBPCNSJIPH-JHMXWDHMSA-N;550.66;3.86;44409371;;;CHEMBL382990;MDCK;EMDCK;25;0;"<a href=https://www.ebi.ac.uk/chembl/assay_report_card/CHEMBL860621/  target=_blank>CHEMBL860621</a>";;;;;;;;;-4.68;;;;;;;;;;;;"Barrett DG, Catalano JG, Deaton DN, Hassell AM, Long ST, Miller AB, Miller LR, Ray JA, Samano V, Shewchuk LM, Wells-Knecht KJ, Willard DH, Wright LL.: Novel, potent P2-P3 pyrrolidine derivatives of ketoamide-based cathepsin K inhibitors. Bioorg Med Chem Lett, Volume 16 (6), 2006";ChEMBL
MM474970;MM474970;CCCCC(NC(=O)OC1C(=O)N(C(=O)c2nnc(C(F)(F)F)s2)CC1(C)C)C(=O)C(=O)Nc1ccn[nH]1;LECXOAIUCLJFBA-GXFFZTMASA-N;559.53;2.15;44409440;;;CHEMBL383211;MDCK;EMDCK;25;0;"<a href=https://www.ebi.ac.uk/chembl/assay_report_card/CHEMBL860621/  target=_blank>CHEMBL860621</a>";;;;;;;;;-4.92;;;;;;;;;;;;"Barrett DG, Catalano JG, Deaton DN, Hassell AM, Long ST, Miller AB, Miller LR, Ray JA, Samano V, Shewchuk LM, Wells-Knecht KJ, Willard DH, Wright LL.: Novel, potent P2-P3 pyrrolidine derivatives of ketoamide-based cathepsin K inhibitors. Bioorg Med Chem Lett, Volume 16 (6), 2006";ChEMBL
MM474971;MM474971;CCCCC(NC(=O)OC1C(=O)N(C(=O)c2ccno2)CC1(C)C)C(=O)C(=O)NC(C)c1ccccc1;NGSRRUWCODUIPK-PLMTUMEDSA-N;512.56;2.78;44409449;;;CHEMBL383687;MDCK;EMDCK;25;0;"<a href=https://www.ebi.ac.uk/chembl/assay_report_card/CHEMBL860621/  target=_blank>CHEMBL860621</a>";;;;;;;;;-4.32;;;;;;;;;;;;"Barrett DG, Catalano JG, Deaton DN, Hassell AM, Long ST, Miller AB, Miller LR, Ray JA, Samano V, Shewchuk LM, Wells-Knecht KJ, Willard DH, Wright LL.: Novel, potent P2-P3 pyrrolidine derivatives of ketoamide-based cathepsin K inhibitors. Bioorg Med Chem Lett, Volume 16 (6), 2006";ChEMBL
MM475014;MM475014;O=C(Nc1ccccc1Cl)Nc1ccc(CC(=O)N2CC(F)CC2COc2ccc(C(=O)O)cc2)cc1Cl;REDKKVINILPCFB-OALUTQOASA-N;560.41;5.9;23647831;;;CHEMBL387659;MDCK;EMDCK;25;0;"<a href=https://www.ebi.ac.uk/chembl/assay_report_card/CHEMBL903787/  target=_blank>CHEMBL903787</a>";;;;;;;;;-5.26;;;;;;;;;;;;"Chiba J, Iimura S, Yoneda Y, Watanabe T, Muro F, Tsubokawa M, Iigou Y, Satoh A, Takayama G, Yokoyama M, Takashi T, Nakayama A, Machinaga N.: Synthesis and biological evaluation of benzoic acid derivatives as potent, orally active VLA-4 antagonists. Bioorg Med Chem, Volume 15 (4), 2007";ChEMBL
MM475015;MM475015;O=C(Nc1ccc(CC(=O)N2CC(F)CC2COc2ccc(C(=O)O)cc2)cc1Cl)Nc1ccccc1Br;IFGXOTDKEWTBFF-OALUTQOASA-N;604.86;6.01;23647834;;;CHEMBL387660;MDCK;EMDCK;25;0;"<a href=https://www.ebi.ac.uk/chembl/assay_report_card/CHEMBL903787/  target=_blank>CHEMBL903787</a>";;;;;;;;;-5.28;;;;;;;;;;;;"Chiba J, Iimura S, Yoneda Y, Watanabe T, Muro F, Tsubokawa M, Iigou Y, Satoh A, Takayama G, Yokoyama M, Takashi T, Nakayama A, Machinaga N.: Synthesis and biological evaluation of benzoic acid derivatives as potent, orally active VLA-4 antagonists. Bioorg Med Chem, Volume 15 (4), 2007";ChEMBL
MM475016;MM475016;Cc1cc(CC(=O)N2CC(F)CC2COc2ccc(C(=O)O)cc2)ccc1NC(=O)Nc1ccccc1Cl;GMINLGKKNUFSSX-SFTDATJTSA-N;539.99;5.55;23647830;;;CHEMBL389640;MDCK;EMDCK;25;0;"<a href=https://www.ebi.ac.uk/chembl/assay_report_card/CHEMBL903787/  target=_blank>CHEMBL903787</a>";;;;;;;;;-5.52;;;;;;;;;;;;"Chiba J, Iimura S, Yoneda Y, Watanabe T, Muro F, Tsubokawa M, Iigou Y, Satoh A, Takayama G, Yokoyama M, Takashi T, Nakayama A, Machinaga N.: Synthesis and biological evaluation of benzoic acid derivatives as potent, orally active VLA-4 antagonists. Bioorg Med Chem, Volume 15 (4), 2007";ChEMBL
MM475017;MM475017;COc1cc(CC(=O)N2CC(F)CC2COc2ccc(C(=O)O)cc2)ccc1NC(=O)Nc1ccccc1C;HIRZLJKWWPKJHG-VXKWHMMOSA-N;535.57;4.91;9871831;;;CHEMBL389844;MDCK;EMDCK;25;0;"<a href=https://www.ebi.ac.uk/chembl/assay_report_card/CHEMBL903787/  target=_blank>CHEMBL903787</a>";;;;;;;;;-6.15;;;;;;;;;;;;"Chiba J, Iimura S, Yoneda Y, Watanabe T, Muro F, Tsubokawa M, Iigou Y, Satoh A, Takayama G, Yokoyama M, Takashi T, Nakayama A, Machinaga N.: Synthesis and biological evaluation of benzoic acid derivatives as potent, orally active VLA-4 antagonists. Bioorg Med Chem, Volume 15 (4), 2007";ChEMBL
MM475018;MM475018;Cc1ccccc1NC(=O)Nc1ccc(CC(=O)N2CCOCC2C(=O)N2CCC(CC(=O)O)CC2)cc1;ITXAAOWFOURIHK-DEOSSOPVSA-N;522.6;3.12;11226207;;;CHEMBL389946;MDCK;EMDCK;25;0;"<a href=https://www.ebi.ac.uk/chembl/assay_report_card/CHEMBL903787/  target=_blank>CHEMBL903787</a>";;;;;;;;;-7.7;;;;;;;;;;;;"Chiba J, Iimura S, Yoneda Y, Watanabe T, Muro F, Tsubokawa M, Iigou Y, Satoh A, Takayama G, Yokoyama M, Takashi T, Nakayama A, Machinaga N.: Synthesis and biological evaluation of benzoic acid derivatives as potent, orally active VLA-4 antagonists. Bioorg Med Chem, Volume 15 (4), 2007";ChEMBL
MM475019;MM475019;COc1cc(CC(=O)N2CC(F)CC2COc2ccc(C(=O)O)cc2)ccc1NC(=O)Nc1ccccc1Cl;AZWIIFCIAADKFM-PMACEKPBSA-N;555.99;5.25;9893920;;;CHEMBL390057;MDCK;EMDCK;25;0;"<a href=https://www.ebi.ac.uk/chembl/assay_report_card/CHEMBL903787/  target=_blank>CHEMBL903787</a>";;;;;;;;;-5.77;;;;;;;;;;;;"Chiba J, Iimura S, Yoneda Y, Watanabe T, Muro F, Tsubokawa M, Iigou Y, Satoh A, Takayama G, Yokoyama M, Takashi T, Nakayama A, Machinaga N.: Synthesis and biological evaluation of benzoic acid derivatives as potent, orally active VLA-4 antagonists. Bioorg Med Chem, Volume 15 (4), 2007";ChEMBL
MM474788;MM474788;OCC1(N2CCN(C3CCc4ccc(OCc5noc(-c6ccc(Cl)cc6)n5)cc43)CC2)CCCC1;GPSVSZZDAKVKII-UHFFFAOYSA-N;509.05;4.88;44438464;;;CHEMBL392770;MDCK;EMDCK;25;0;"<a href=https://www.ebi.ac.uk/chembl/assay_report_card/CHEMBL1023475/  target=_blank>CHEMBL1023475</a>";;;;;;;;;-5.77;;;;;;;;;;;;"Lowe JA, Hou X, Schmidt C, David Tingley F, McHardy S, Kalman M, Deninno S, Sanner M, Ward K, Lebel L, Tunucci D, Valentine J, Bronk BS, Schaeffer E.: The discovery of a structurally novel class of inhibitors of the type 1 glycine transporter. Bioorg Med Chem Lett, Volume 19 (11), 2009";ChEMBL
MM474996;MM474996;CCCCC(NC(=O)OC(Cn1ccc(-c2ccncc2)n1)C(C)(C)C)C(=O)CNS(=O)(=O)c1ccccn1;NHFKTEZZOWFJBK-LADGPHEKSA-N;556.69;3.59;16655063;;;CHEMBL393354;MDCK;EMDCK;25;0;"<a href=https://www.ebi.ac.uk/chembl/assay_report_card/CHEMBL891434/  target=_blank>CHEMBL891434</a>";;;;;;;;;-5.17;;;;;;;;;;;;"Barrett DG, Catalano JG, Deaton DN, Long ST, McFadyen RB, Miller AB, Miller LR, Samano V, Tavares FX, Wells-Knecht KJ, Wright LL, Zhou HQ.: Acyclic, orally bioavailable ketone-based cathepsin K inhibitors. Bioorg Med Chem Lett, Volume 17 (1), 2007";ChEMBL
MM475038;MM475038;CCC(C)C(S)C(=O)NC(Cc1ccccc1-c1ccccc1)C(=O)O;JIKXDFOHRKWQIU-CCKFTAQKSA-N;371.5;3.81;44446963;;;CHEMBL398545;MDCK;EMDCK;25;0;"<a href=https://www.ebi.ac.uk/chembl/assay_report_card/CHEMBL928322/  target=_blank>CHEMBL928322</a>";;;;;;;;;-6.3;;;;;;;;;;;;"Deaton DN, Graham KP, Gross JW, Miller AB.: Thiol-based angiotensin-converting enzyme 2 inhibitors: P1' modifications for the exploration of the S1' subsite. Bioorg Med Chem Lett, Volume 18 (5), 2008";ChEMBL
MM475039;MM475039;CCC(C)C(S)C(=O)NC(Cc1ccc(OCc2ccc(F)cc2F)cc1)C(=O)O;UHSLUGVLSJUOHH-CWVNLOTRSA-N;437.51;4;44446976;;;CHEMBL398771;MDCK;EMDCK;25;0;"<a href=https://www.ebi.ac.uk/chembl/assay_report_card/CHEMBL928322/  target=_blank>CHEMBL928322</a>";;;;;;;;;-6.3;;;;;;;;;;;;"Deaton DN, Graham KP, Gross JW, Miller AB.: Thiol-based angiotensin-converting enzyme 2 inhibitors: P1' modifications for the exploration of the S1' subsite. Bioorg Med Chem Lett, Volume 18 (5), 2008";ChEMBL
MM475040;MM475040;CCC(C)C(S)C(=O)NC(Cc1ccccc1)C(=O)O;DPPTZNUVUSKYMF-WXHSDQCUSA-N;295.4;2.14;44446956;;;CHEMBL400526;MDCK;EMDCK;25;0;"<a href=https://www.ebi.ac.uk/chembl/assay_report_card/CHEMBL928322/  target=_blank>CHEMBL928322</a>";;;;;;;;;-6.3;;;;;;;;;;;;"Deaton DN, Graham KP, Gross JW, Miller AB.: Thiol-based angiotensin-converting enzyme 2 inhibitors: P1' modifications for the exploration of the S1' subsite. Bioorg Med Chem Lett, Volume 18 (5), 2008";ChEMBL
MM475041;MM475041;CCC(C)C(S)C(=O)NC(Cc1cccc2ccccc12)C(=O)O;ASOTUXAPLNMLBP-DQYPLSBCSA-N;345.46;3.3;44446959;;;CHEMBL400527;MDCK;EMDCK;25;0;"<a href=https://www.ebi.ac.uk/chembl/assay_report_card/CHEMBL928322/  target=_blank>CHEMBL928322</a>";;;;;;;;;-6.3;;;;;;;;;;;;"Deaton DN, Graham KP, Gross JW, Miller AB.: Thiol-based angiotensin-converting enzyme 2 inhibitors: P1' modifications for the exploration of the S1' subsite. Bioorg Med Chem Lett, Volume 18 (5), 2008";ChEMBL
MM475042;MM475042;CCC(C)C(S)C(=O)NCC(=O)O;OKMLPKRGXRLVMI-VDTYLAMSSA-N;205.28;0.53;44446953;;;CHEMBL401086;MDCK;EMDCK;25;0;"<a href=https://www.ebi.ac.uk/chembl/assay_report_card/CHEMBL928322/  target=_blank>CHEMBL928322</a>";;;;;;;;;-6.3;;;;;;;;;;;;"Deaton DN, Graham KP, Gross JW, Miller AB.: Thiol-based angiotensin-converting enzyme 2 inhibitors: P1' modifications for the exploration of the S1' subsite. Bioorg Med Chem Lett, Volume 18 (5), 2008";ChEMBL
MM475043;MM475043;CCC(C)C(S)C(=O)NC(Cc1cccc(-c2ccccc2)c1)C(=O)O;RZCHYBYQQJXXGU-CCKFTAQKSA-N;371.5;3.81;44446965;;;CHEMBL401397;MDCK;EMDCK;25;0;"<a href=https://www.ebi.ac.uk/chembl/assay_report_card/CHEMBL928322/  target=_blank>CHEMBL928322</a>";;;;;;;;;-6.3;;;;;;;;;;;;"Deaton DN, Graham KP, Gross JW, Miller AB.: Thiol-based angiotensin-converting enzyme 2 inhibitors: P1' modifications for the exploration of the S1' subsite. Bioorg Med Chem Lett, Volume 18 (5), 2008";ChEMBL
MM475068;MM475068;Cc1cc(-n2cc(NC(N)=O)c(C(N)=O)n2)ccc1-c1cc(C)c(O)c(C)c1;BTWVXGQJZPRRBH-UHFFFAOYSA-N;379.42;2.76;;;;;MDCK;EMDCK;25;0;"<a href=https://www.ebi.ac.uk/chembl/assay_report_card/CHEMBL952863/  target=_blank>CHEMBL952863</a>";;;;;;;;;-5.52;;;;;;;;;;;;"Lai Y, Xing L, Poda GI, Hu Y.: Structure-activity relationships for interaction with multidrug resistance protein 2 (ABCC2/MRP2): the role of torsion angle for a series of biphenyl-substituted heterocycles. Drug Metab Dispos, Volume 35 (6), 2007";ChEMBL
MM475069;MM475069;Cc1cc(-n2cc(NC(N)=O)c(C(N)=O)n2)ccc1-c1ccc(O)c(C)c1C;IJMHFPIVVQMWGO-UHFFFAOYSA-N;379.42;2.76;;;;;MDCK;EMDCK;25;0;"<a href=https://www.ebi.ac.uk/chembl/assay_report_card/CHEMBL952863/  target=_blank>CHEMBL952863</a>";;;;;;;;;-5.52;;;;;;;;;;;;"Lai Y, Xing L, Poda GI, Hu Y.: Structure-activity relationships for interaction with multidrug resistance protein 2 (ABCC2/MRP2): the role of torsion angle for a series of biphenyl-substituted heterocycles. Drug Metab Dispos, Volume 35 (6), 2007";ChEMBL
MM475070;MM475070;Cc1cc(-n2cc(NC(N)=O)c(C(N)=O)n2)ccc1-c1c(F)cc(O)cc1F;GMTYZITWVVOKMY-UHFFFAOYSA-N;387.35;2.42;;;;;MDCK;EMDCK;25;0;"<a href=https://www.ebi.ac.uk/chembl/assay_report_card/CHEMBL952863/  target=_blank>CHEMBL952863</a>";;;;;;;;;-5.52;;;;;;;;;;;;"Lai Y, Xing L, Poda GI, Hu Y.: Structure-activity relationships for interaction with multidrug resistance protein 2 (ABCC2/MRP2): the role of torsion angle for a series of biphenyl-substituted heterocycles. Drug Metab Dispos, Volume 35 (6), 2007";ChEMBL
MM475020;MM475020;Cc1ccccc1NC(=O)Nc1ccc(CC(=O)N2CC(F)CC2COc2ccc(C(=O)O)cc2)cc1Cl;;539.99;5.55;15984101;;;CHEMBL425647;MDCK;EMDCK;25;0;"<a href=https://www.ebi.ac.uk/chembl/assay_report_card/CHEMBL903787/  target=_blank>CHEMBL903787</a>";;;;;;;;;-5.57;;;;;;;;;;;;"Chiba J, Iimura S, Yoneda Y, Watanabe T, Muro F, Tsubokawa M, Iigou Y, Satoh A, Takayama G, Yokoyama M, Takashi T, Nakayama A, Machinaga N.: Synthesis and biological evaluation of benzoic acid derivatives as potent, orally active VLA-4 antagonists. Bioorg Med Chem, Volume 15 (4), 2007";ChEMBL
MM475021;MM475021;Cc1ccccc1NC(=O)Nc1ccc(CC(=O)N2CC(F)CC2COc2ccc(C(=O)O)cc2)cc1C;FHRCPGGLVYYPQM-GOTSBHOMSA-N;519.57;5.21;23647825;;;CHEMBL426908;MDCK;EMDCK;25;0;"<a href=https://www.ebi.ac.uk/chembl/assay_report_card/CHEMBL903787/  target=_blank>CHEMBL903787</a>";;;;;;;;;-6.6;;;;;;;;;;;;"Chiba J, Iimura S, Yoneda Y, Watanabe T, Muro F, Tsubokawa M, Iigou Y, Satoh A, Takayama G, Yokoyama M, Takashi T, Nakayama A, Machinaga N.: Synthesis and biological evaluation of benzoic acid derivatives as potent, orally active VLA-4 antagonists. Bioorg Med Chem, Volume 15 (4), 2007";ChEMBL
MM475022;MM475022;Cc1ccccc1NC(=O)Nc1ccc(CC(=O)N2CC(F)CC2COc2ccc(C(=O)O)cc2)cc1Br;NVSWYFNJDUCDCI-SFTDATJTSA-N;584.44;5.66;23647829;;;CHEMBL426910;MDCK;EMDCK;25;0;"<a href=https://www.ebi.ac.uk/chembl/assay_report_card/CHEMBL903787/  target=_blank>CHEMBL903787</a>";;;;;;;;;-5.72;;;;;;;;;;;;"Chiba J, Iimura S, Yoneda Y, Watanabe T, Muro F, Tsubokawa M, Iigou Y, Satoh A, Takayama G, Yokoyama M, Takashi T, Nakayama A, Machinaga N.: Synthesis and biological evaluation of benzoic acid derivatives as potent, orally active VLA-4 antagonists. Bioorg Med Chem, Volume 15 (4), 2007";ChEMBL
MM475071;MM475071;NC(=O)Nc1cn(-c2ccc(-c3ccc(O)c(F)c3)cc2)nc1C(N)=O;QTRAAJZUCZOQBU-UHFFFAOYSA-N;355.33;1.97;;;;;MDCK;EMDCK;25;0;"<a href=https://www.ebi.ac.uk/chembl/assay_report_card/CHEMBL952863/  target=_blank>CHEMBL952863</a>";;;;;;;;;-5.52;;;;;;;;;;;;"Lai Y, Xing L, Poda GI, Hu Y.: Structure-activity relationships for interaction with multidrug resistance protein 2 (ABCC2/MRP2): the role of torsion angle for a series of biphenyl-substituted heterocycles. Drug Metab Dispos, Volume 35 (6), 2007";ChEMBL
MM475072;MM475072;Cc1cc(O)ccc1-c1ccc(-n2cc(NC(N)=O)c(C(N)=O)n2)cc1C(F)(F)F;LLQGNSYWIFSDCQ-UHFFFAOYSA-N;419.36;3.16;;;;;MDCK;EMDCK;25;0;"<a href=https://www.ebi.ac.uk/chembl/assay_report_card/CHEMBL952863/  target=_blank>CHEMBL952863</a>";;;;;;;;;-5.52;;;;;;;;;;;;"Lai Y, Xing L, Poda GI, Hu Y.: Structure-activity relationships for interaction with multidrug resistance protein 2 (ABCC2/MRP2): the role of torsion angle for a series of biphenyl-substituted heterocycles. Drug Metab Dispos, Volume 35 (6), 2007";ChEMBL
MM475073;MM475073;Cc1cc(-n2cc(NC(N)=O)c(C(N)=O)n2)ccc1-c1ccc(O)cc1;VZKLDCIMFQMYKQ-UHFFFAOYSA-N;351.37;2.14;;;;;MDCK;EMDCK;25;0;"<a href=https://www.ebi.ac.uk/chembl/assay_report_card/CHEMBL952863/  target=_blank>CHEMBL952863</a>";;;;;;;;;-5.52;;;;;;;;;;;;"Lai Y, Xing L, Poda GI, Hu Y.: Structure-activity relationships for interaction with multidrug resistance protein 2 (ABCC2/MRP2): the role of torsion angle for a series of biphenyl-substituted heterocycles. Drug Metab Dispos, Volume 35 (6), 2007";ChEMBL
MM475085;MM475085;CC(C)c1[nH]nc2c(=O)[nH]c(Cc3ccccc3OCCN3CCOCC3)nc12;DQQIKKSUASWOMX-UHFFFAOYSA-N;397.48;2.07;135457869;;;CHEMBL466068;MDCK;EMDCK;25;0;"<a href=https://www.ebi.ac.uk/chembl/assay_report_card/CHEMBL966927/  target=_blank>CHEMBL966927</a>";;;;;;;;;-4.82;;;;;;;;;;;;"Deninno MP, Andrews M, Bell AS, Chen Y, Eller-Zarbo C, Eshelby N, Etienne JB, Moore DE, Palmer MJ, Visser MS, Yu LJ, Zavadoski WJ, Michael Gibbs E.: The discovery of potent, selective, and orally bioavailable PDE9 inhibitors as potential hypoglycemic agents. Bioorg Med Chem Lett, Volume 19 (9), 2009";ChEMBL
MM475086;MM475086;CC(C)c1nn(C)c2c(=O)[nH]c(Cc3ccccc3OCCN3CCOCC3)nc12;MMFHEXODWCOMFW-UHFFFAOYSA-N;411.51;2.08;136059722;;;CHEMBL466474;MDCK;EMDCK;25;0;"<a href=https://www.ebi.ac.uk/chembl/assay_report_card/CHEMBL966927/  target=_blank>CHEMBL966927</a>";;;;;;;;;-4.47;;;;;;;;;;;;"Deninno MP, Andrews M, Bell AS, Chen Y, Eller-Zarbo C, Eshelby N, Etienne JB, Moore DE, Palmer MJ, Visser MS, Yu LJ, Zavadoski WJ, Michael Gibbs E.: The discovery of potent, selective, and orally bioavailable PDE9 inhibitors as potential hypoglycemic agents. Bioorg Med Chem Lett, Volume 19 (9), 2009";ChEMBL
MM475087;MM475087;CC(C)c1[nH]nc2c(=O)[nH]c(CC3CCCCC3NC(=O)CN3CCCC3)nc12;SEYCIBHCEGUQNB-LSDHHAIUSA-N;400.53;2.08;135436665;;;CHEMBL466475;MDCK;EMDCK;25;0;"<a href=https://www.ebi.ac.uk/chembl/assay_report_card/CHEMBL966927/  target=_blank>CHEMBL966927</a>";;;;;;;;;-6.3;;;;;;;;;;;;"Deninno MP, Andrews M, Bell AS, Chen Y, Eller-Zarbo C, Eshelby N, Etienne JB, Moore DE, Palmer MJ, Visser MS, Yu LJ, Zavadoski WJ, Michael Gibbs E.: The discovery of potent, selective, and orally bioavailable PDE9 inhibitors as potential hypoglycemic agents. Bioorg Med Chem Lett, Volume 19 (9), 2009";ChEMBL
MM475088;MM475088;CC(C)c1[nH]nc2c(=O)[nH]c(CC3CCCCC3NC(=O)NCCCN3CCOCC3)nc12;WXHYNZHWBZIGJP-DLBZAZTESA-N;459.6;1.89;136059725;;;CHEMBL466480;MDCK;EMDCK;25;0;"<a href=https://www.ebi.ac.uk/chembl/assay_report_card/CHEMBL966927/  target=_blank>CHEMBL966927</a>";;;;;;;;;-6.15;;;;;;;;;;;;"Deninno MP, Andrews M, Bell AS, Chen Y, Eller-Zarbo C, Eshelby N, Etienne JB, Moore DE, Palmer MJ, Visser MS, Yu LJ, Zavadoski WJ, Michael Gibbs E.: The discovery of potent, selective, and orally bioavailable PDE9 inhibitors as potential hypoglycemic agents. Bioorg Med Chem Lett, Volume 19 (9), 2009";ChEMBL
MM475089;MM475089;CC(C)c1n[nH]c2c(=O)[nH]c(C[C@@H]3CCCC[C@H]3Nc3ncccn3)nc12;BJVCVIRGZHSCSW-QWHCGFSZSA-N;367.46;2.77;;;;;MDCK;EMDCK;25;0;"<a href=https://www.ebi.ac.uk/chembl/assay_report_card/CHEMBL966927/  target=_blank>CHEMBL966927</a>";;;;;;;;;-4.89;;;;;;;;;;;;"Deninno MP, Andrews M, Bell AS, Chen Y, Eller-Zarbo C, Eshelby N, Etienne JB, Moore DE, Palmer MJ, Visser MS, Yu LJ, Zavadoski WJ, Michael Gibbs E.: The discovery of potent, selective, and orally bioavailable PDE9 inhibitors as potential hypoglycemic agents. Bioorg Med Chem Lett, Volume 19 (9), 2009";ChEMBL
MM475090;MM475090;CC(C)c1[nH]nc2c(=O)[nH]c(CC3CCCCC3NC(=O)CC3CCOCC3)nc12;YYXRNUDRJVHKAD-JKSUJKDBSA-N;415.54;2.8;136059724;;;CHEMBL466680;MDCK;EMDCK;25;0;"<a href=https://www.ebi.ac.uk/chembl/assay_report_card/CHEMBL966927/  target=_blank>CHEMBL966927</a>";;;;;;;;;-6.12;;;;;;;;;;;;"Deninno MP, Andrews M, Bell AS, Chen Y, Eller-Zarbo C, Eshelby N, Etienne JB, Moore DE, Palmer MJ, Visser MS, Yu LJ, Zavadoski WJ, Michael Gibbs E.: The discovery of potent, selective, and orally bioavailable PDE9 inhibitors as potential hypoglycemic agents. Bioorg Med Chem Lett, Volume 19 (9), 2009";ChEMBL
MM475091;MM475091;CC(C)c1[nH]nc2c(=O)[nH]c(Cc3ccccc3OC(F)(F)F)nc12;RCKCFOKBILAFJF-UHFFFAOYSA-N;352.32;3.26;135484473;;;CHEMBL467282;MDCK;EMDCK;25;0;"<a href=https://www.ebi.ac.uk/chembl/assay_report_card/CHEMBL966927/  target=_blank>CHEMBL966927</a>";;;;;;;;;-4.97;;;;;;;;;;;;"Deninno MP, Andrews M, Bell AS, Chen Y, Eller-Zarbo C, Eshelby N, Etienne JB, Moore DE, Palmer MJ, Visser MS, Yu LJ, Zavadoski WJ, Michael Gibbs E.: The discovery of potent, selective, and orally bioavailable PDE9 inhibitors as potential hypoglycemic agents. Bioorg Med Chem Lett, Volume 19 (9), 2009";ChEMBL
MM475100;MM475100;CC(C)c1onc(-c2c(Cl)cccc2Cl)c1COc1ccc(-c2ccc3c(C(=O)O)cccc3c2)cc1;TUOXXRMLFZBSTB-UHFFFAOYSA-N;532.42;8.87;16214849;;;CHEMBL476302;MDCK;EMDCK;25;0;"<a href=https://www.ebi.ac.uk/chembl/assay_report_card/CHEMBL982038/  target=_blank>CHEMBL982038</a>";;;;;;;;;-4.72;;;;;;;;;;;;"Akwabi-Ameyaw A, Bass JY, Caldwell RD, Caravella JA, Chen L, Creech KL, Deaton DN, Jones SA, Kaldor I, Liu Y, Madauss KP, Marr HB, McFadyen RB, Miller AB, Navas F, Parks DJ, Spearing PK, Todd D, Williams SP, Wisely GB.: Conformationally constrained farnesoid X receptor (FXR) agonists: Naphthoic acid-based analogs of GW 4064. Bioorg Med Chem Lett, Volume 18 (15), 2008";ChEMBL
MM475092;MM475092;CC(C)c1[nH]nc2c(=O)[nH]c(Cc3cccc(Cl)c3)nc12;UORHIBXCPUHXFY-UHFFFAOYSA-N;302.77;3.01;135418212;;;CHEMBL512790;MDCK;EMDCK;25;0;"<a href=https://www.ebi.ac.uk/chembl/assay_report_card/CHEMBL966927/  target=_blank>CHEMBL966927</a>";;;;;;;;;-4.77;;;;;;;;;;;;"Deninno MP, Andrews M, Bell AS, Chen Y, Eller-Zarbo C, Eshelby N, Etienne JB, Moore DE, Palmer MJ, Visser MS, Yu LJ, Zavadoski WJ, Michael Gibbs E.: The discovery of potent, selective, and orally bioavailable PDE9 inhibitors as potential hypoglycemic agents. Bioorg Med Chem Lett, Volume 19 (9), 2009";ChEMBL
MM475093;MM475093;CC(C)c1n[nH]c2c(=O)[nH]c(C[C@@H]3CCCC[C@H]3OCCN3CCOCC3)nc12;DHNHXAUERSTPRA-JKSUJKDBSA-N;403.53;2.22;;;;;MDCK;EMDCK;25;0;"<a href=https://www.ebi.ac.uk/chembl/assay_report_card/CHEMBL966927/  target=_blank>CHEMBL966927</a>";;;;;;;;;-5.2;;;;;;;;;;;;"Deninno MP, Andrews M, Bell AS, Chen Y, Eller-Zarbo C, Eshelby N, Etienne JB, Moore DE, Palmer MJ, Visser MS, Yu LJ, Zavadoski WJ, Michael Gibbs E.: The discovery of potent, selective, and orally bioavailable PDE9 inhibitors as potential hypoglycemic agents. Bioorg Med Chem Lett, Volume 19 (9), 2009";ChEMBL
MM475094;MM475094;Cc1ccc(NC2CCCCC2Cc2nc3c(C(C)C)[nH]nc3c(=O)[nH]2)nn1;PMRWYXIODMVINY-UONOGXRCSA-N;381.48;3.08;136059726;;;CHEMBL513304;MDCK;EMDCK;25;0;"<a href=https://www.ebi.ac.uk/chembl/assay_report_card/CHEMBL966927/  target=_blank>CHEMBL966927</a>";;;;;;;;;-5.77;;;;;;;;;;;;"Deninno MP, Andrews M, Bell AS, Chen Y, Eller-Zarbo C, Eshelby N, Etienne JB, Moore DE, Palmer MJ, Visser MS, Yu LJ, Zavadoski WJ, Michael Gibbs E.: The discovery of potent, selective, and orally bioavailable PDE9 inhibitors as potential hypoglycemic agents. Bioorg Med Chem Lett, Volume 19 (9), 2009";ChEMBL
Chembl537965;MM469167;CN1CC2C(C1)C2CN(Cc1cccc(Cl)c1)C(=O)c1cn(C)cn1;GGOFKOFOQJFNFE-UHFFFAOYSA-N;358.87;2.52;45267039;;;CHEMBL537965;MDCK;EMDCK;25;0;"<a href=https://www.ebi.ac.uk/chembl/assay_report_card/CHEMBL1023475/  target=_blank>CHEMBL1023475</a>";;;;;;;;;-4.85;;;;;;;;;;;;"Lowe JA, Hou X, Schmidt C, David Tingley F, McHardy S, Kalman M, Deninno S, Sanner M, Ward K, Lebel L, Tunucci D, Valentine J, Bronk BS, Schaeffer E.: The discovery of a structurally novel class of inhibitors of the type 1 glycine transporter. Bioorg Med Chem Lett, Volume 19 (11), 2009";ChEMBL
MM474997;MM474997;CC(NC(=O)OC(Cn1ccc(-c2ccc(C(F)(F)F)cc2)n1)C(C)(C)C)C(=O)CNS(=O)(=O)c1ccccn1;KCXVQPRWXYAYNA-HTAPYJJXSA-N;581.62;4.04;23648430;;;CHEMBL540964;MDCK;EMDCK;25;0;"<a href=https://www.ebi.ac.uk/chembl/assay_report_card/CHEMBL891434/  target=_blank>CHEMBL891434</a>";;;;;;;;;-4.52;;;;;;;;;;;;"Barrett DG, Catalano JG, Deaton DN, Long ST, McFadyen RB, Miller AB, Miller LR, Samano V, Tavares FX, Wells-Knecht KJ, Wright LL, Zhou HQ.: Acyclic, orally bioavailable ketone-based cathepsin K inhibitors. Bioorg Med Chem Lett, Volume 17 (1), 2007";ChEMBL
MM474789;MM474789;Cc1ccc(C(=O)c2ccc(O[C@H](CCN(C)CC(=O)O)c3ccccc3)cc2)cc1;HNBKNDFZJLEZLZ-XMMPIXPASA-N;417.51;4.75;;;;;MDCK;EMDCK;25;0;"<a href=https://www.ebi.ac.uk/chembl/assay_report_card/CHEMBL1023475/  target=_blank>CHEMBL1023475</a>";;;;;;;;;-5.77;;;;;;;;;;;;"Lowe JA, Hou X, Schmidt C, David Tingley F, McHardy S, Kalman M, Deninno S, Sanner M, Ward K, Lebel L, Tunucci D, Valentine J, Bronk BS, Schaeffer E.: The discovery of a structurally novel class of inhibitors of the type 1 glycine transporter. Bioorg Med Chem Lett, Volume 19 (11), 2009";ChEMBL
Chembl551424;MM468053;CCN1CC2C(C1)C2CN(Cc1cccc(Cl)c1)C(=O)c1cn(C)cn1;IVZJROIOJSZARI-UHFFFAOYSA-N;372.9;2.91;45270377;;;CHEMBL551424;MDCK;EMDCK;25;0;"<a href=https://www.ebi.ac.uk/chembl/assay_report_card/CHEMBL1023475/  target=_blank>CHEMBL1023475</a>";;;;;;;;;-4.91;;;;;;;;;;;;"Lowe JA, Hou X, Schmidt C, David Tingley F, McHardy S, Kalman M, Deninno S, Sanner M, Ward K, Lebel L, Tunucci D, Valentine J, Bronk BS, Schaeffer E.: The discovery of a structurally novel class of inhibitors of the type 1 glycine transporter. Bioorg Med Chem Lett, Volume 19 (11), 2009";ChEMBL
Chembl556247;MM469168;CN1CC2C(C1)C2CN(Cc1cccc(OC(F)(F)F)c1)C(=O)c1cn(C)cn1;AZPNIOXCMXPLKP-UHFFFAOYSA-N;408.42;2.77;45272939;;;CHEMBL556247;MDCK;EMDCK;25;0;"<a href=https://www.ebi.ac.uk/chembl/assay_report_card/CHEMBL1023475/  target=_blank>CHEMBL1023475</a>";;;;;;;;;-4.86;;;;;;;;;;;;"Lowe JA, Hou X, Schmidt C, David Tingley F, McHardy S, Kalman M, Deninno S, Sanner M, Ward K, Lebel L, Tunucci D, Valentine J, Bronk BS, Schaeffer E.: The discovery of a structurally novel class of inhibitors of the type 1 glycine transporter. Bioorg Med Chem Lett, Volume 19 (11), 2009";ChEMBL
MM474790;MM474790;Cn1cnc(C(=O)N(Cc2ccc(F)c(Cl)c2)C[C@H]2[C@@H]3CNC[C@@H]32)c1;HTUXUNBQNWREPD-WDNDVIMCSA-N;362.84;2.32;;;;;MDCK;EMDCK;25;0;"<a href=https://www.ebi.ac.uk/chembl/assay_report_card/CHEMBL1023475/  target=_blank>CHEMBL1023475</a>";;;;;;;;;-6.05;;;;;;;;;;;;"Lowe JA, Hou X, Schmidt C, David Tingley F, McHardy S, Kalman M, Deninno S, Sanner M, Ward K, Lebel L, Tunucci D, Valentine J, Bronk BS, Schaeffer E.: The discovery of a structurally novel class of inhibitors of the type 1 glycine transporter. Bioorg Med Chem Lett, Volume 19 (11), 2009";ChEMBL
MM474791;MM474791;Cn1cnc(C(=O)N(Cc2cccc(OC(F)(F)F)c2)C[C@H]2[C@@H]3CN(CC4CC4)C[C@@H]32)c1;DKYPWVLLGYCVPS-PMOLBWCYSA-N;448.49;3.55;;;;;MDCK;EMDCK;25;0;"<a href=https://www.ebi.ac.uk/chembl/assay_report_card/CHEMBL1023475/  target=_blank>CHEMBL1023475</a>";;;;;;;;;-4.8;;;;;;;;;;;;"Lowe JA, Hou X, Schmidt C, David Tingley F, McHardy S, Kalman M, Deninno S, Sanner M, Ward K, Lebel L, Tunucci D, Valentine J, Bronk BS, Schaeffer E.: The discovery of a structurally novel class of inhibitors of the type 1 glycine transporter. Bioorg Med Chem Lett, Volume 19 (11), 2009";ChEMBL
MM474792;MM474792;Cn1cnc(C(=O)N(Cc2cccc(OC(F)(F)F)c2)C[C@H]2[C@@H]3CN(CC4CCCC4)C[C@@H]32)c1;DBQBAHSSKFGSRU-ZBYYUNFXSA-N;476.54;4.33;;;;;MDCK;EMDCK;25;0;"<a href=https://www.ebi.ac.uk/chembl/assay_report_card/CHEMBL1023475/  target=_blank>CHEMBL1023475</a>";;;;;;;;;-5.12;;;;;;;;;;;;"Lowe JA, Hou X, Schmidt C, David Tingley F, McHardy S, Kalman M, Deninno S, Sanner M, Ward K, Lebel L, Tunucci D, Valentine J, Bronk BS, Schaeffer E.: The discovery of a structurally novel class of inhibitors of the type 1 glycine transporter. Bioorg Med Chem Lett, Volume 19 (11), 2009";ChEMBL
MM474793;MM474793;CN1C[C@@H]2[C@H](C1)[C@H]2CN(Cc1ccc(F)c(Cl)c1)C(=O)c1cn(C)cn1;KYLOBHXXQOZRKK-FICVDOATSA-N;376.86;2.66;;;;;MDCK;EMDCK;25;0;"<a href=https://www.ebi.ac.uk/chembl/assay_report_card/CHEMBL1023475/  target=_blank>CHEMBL1023475</a>";;;;;;;;;-4.88;;;;;;;;;;;;"Lowe JA, Hou X, Schmidt C, David Tingley F, McHardy S, Kalman M, Deninno S, Sanner M, Ward K, Lebel L, Tunucci D, Valentine J, Bronk BS, Schaeffer E.: The discovery of a structurally novel class of inhibitors of the type 1 glycine transporter. Bioorg Med Chem Lett, Volume 19 (11), 2009";ChEMBL
Chembl563761;MM470702;Cn1cnc(C(=O)N(Cc2cccc(Cl)c2)C2CCC(N)CC2)c1;DNRRPNHABAPADP-IYBDPMFKSA-N;346.86;2.99;45272913;;;CHEMBL563761;MDCK;EMDCK;25;0;"<a href=https://www.ebi.ac.uk/chembl/assay_report_card/CHEMBL1023475/  target=_blank>CHEMBL1023475</a>";;;;;;;;;-6.3;;;;;;;;;;;;"Lowe JA, Hou X, Schmidt C, David Tingley F, McHardy S, Kalman M, Deninno S, Sanner M, Ward K, Lebel L, Tunucci D, Valentine J, Bronk BS, Schaeffer E.: The discovery of a structurally novel class of inhibitors of the type 1 glycine transporter. Bioorg Med Chem Lett, Volume 19 (11), 2009";ChEMBL
MM474794;MM474794;Cn1cnc(C(=O)N(Cc2cccc(OC(F)(F)F)c2)C[C@H]2[C@@H]3CNC[C@@H]32)c1;LAXUUXLIBVHUAY-ZSHCYNCHSA-N;394.4;2.43;;;;;MDCK;EMDCK;25;0;"<a href=https://www.ebi.ac.uk/chembl/assay_report_card/CHEMBL1023475/  target=_blank>CHEMBL1023475</a>";;;;;;;;;-5.77;;;;;;;;;;;;"Lowe JA, Hou X, Schmidt C, David Tingley F, McHardy S, Kalman M, Deninno S, Sanner M, Ward K, Lebel L, Tunucci D, Valentine J, Bronk BS, Schaeffer E.: The discovery of a structurally novel class of inhibitors of the type 1 glycine transporter. Bioorg Med Chem Lett, Volume 19 (11), 2009";ChEMBL
Chembl564919;MM468054;CCN1CC2C(C1)C2CN(Cc1cccc(OC(F)(F)F)c1)C(=O)c1cn(C)cn1;QEIUUWQTMLQILI-UHFFFAOYSA-N;422.45;3.16;45272936;;;CHEMBL564919;MDCK;EMDCK;25;0;"<a href=https://www.ebi.ac.uk/chembl/assay_report_card/CHEMBL1023475/  target=_blank>CHEMBL1023475</a>";;;;;;;;;-4.92;;;;;;;;;;;;"Lowe JA, Hou X, Schmidt C, David Tingley F, McHardy S, Kalman M, Deninno S, Sanner M, Ward K, Lebel L, Tunucci D, Valentine J, Bronk BS, Schaeffer E.: The discovery of a structurally novel class of inhibitors of the type 1 glycine transporter. Bioorg Med Chem Lett, Volume 19 (11), 2009";ChEMBL
MM474795;MM474795;Cn1cnc(C(=O)N(Cc2cccc(Cl)c2)CC2C3CNCC32)c1;QSFJWJIJRKTTAK-ZSHCYNCHSA-N;344.85;2.18;45268691;;;CHEMBL565142;MDCK;EMDCK;25;0;"<a href=https://www.ebi.ac.uk/chembl/assay_report_card/CHEMBL1023475/  target=_blank>CHEMBL1023475</a>";;;;;;;;;-5.49;;;;;;;;;;;;"Lowe JA, Hou X, Schmidt C, David Tingley F, McHardy S, Kalman M, Deninno S, Sanner M, Ward K, Lebel L, Tunucci D, Valentine J, Bronk BS, Schaeffer E.: The discovery of a structurally novel class of inhibitors of the type 1 glycine transporter. Bioorg Med Chem Lett, Volume 19 (11), 2009";ChEMBL
MM474815;MM474815;CC(=O)NC(Cc1cc(F)cc(F)c1)C(O)CNC1(c2cccc(C(C)(C)C)c2)CCCCC1;;472.62;5.12;11754571;;;CHEMBL571860;MDCK;EMDCK;25;0;"<a href=https://www.ebi.ac.uk/chembl/assay_report_card/CHEMBL1260851/  target=_blank>CHEMBL1260851</a>";;;;;;;;;-6.4;;;;;;;;;;;;"Probst GD, Bowers S, Sealy JM, Stupi B, Dressen D, Jagodzinska BM, Aquino J, Gailunas A, Truong AP, Tso L, Xu YZ, Hom RK, John V, Tung JS, Pleiss MA, Tucker JA, Konradi AW, Sham HL, Jagodzinski J, Toth G, Brecht E, Yao N, Pan H, Lin M, Artis DR, Ruslim L, Bova MP, Sinha S, Yednock TA, Gauby S, Zmolek W, Quinn KP, Sauer JM.: Design and synthesis of hydroxyethylamine (HEA) BACE-1 inhibitors: structure-activity relationship of the aryl region. Bioorg Med Chem Lett, Volume 20 (20), 2010";ChEMBL
MM474802;MM474802;CCN(C(=O)c1c(-c2ccccc2Cl)noc1C)c1cccc(Cl)c1;;375.26;5.62;44605615;;;CHEMBL583110;MDCK;EMDCK;25;0;"<a href=https://www.ebi.ac.uk/chembl/assay_report_card/CHEMBL1073139/  target=_blank>CHEMBL1073139</a>";;;;;;;;;-4.35;;;;;;;;;;;;"Budzik BW, Evans KA, Wisnoski DD, Jin J, Rivero RA, Szewczyk GR, Jayawickreme C, Moncol DL, Yu H.: Synthesis and structure-activity relationships of a series of 3-aryl-4-isoxazolecarboxamides as a new class of TGR5 agonists. Bioorg Med Chem Lett, Volume 20 (4), 2010";ChEMBL
MM474802;MM474802;CCN(C(=O)c1c(-c2ccccc2Cl)noc1C)c1cccc(Cl)c1;;375.26;5.62;44605615;;;CHEMBL583110;MDCK;EMDCK;25;0;"<a href=https://www.ebi.ac.uk/chembl/assay_report_card/CHEMBL1040515/  target=_blank>CHEMBL1040515</a>";;;;;;;;;-4.35;;;;;;;;;;;;"Evans KA, Budzik BW, Ross SA, Wisnoski DD, Jin J, Rivero RA, Vimal M, Szewczyk GR, Jayawickreme C, Moncol DL, Rimele TJ, Armour SL, Weaver SP, Griffin RJ, Tadepalli SM, Jeune MR, Shearer TW, Chen ZB, Chen L, Anderson DL, Becherer JD, De Los Frailes M, Colilla FJ.: Discovery of 3-aryl-4-isoxazolecarboxamides as TGR5 receptor agonists. J Med Chem, Volume 52 (24), 2009";ChEMBL
MM474953;MM474953;C(=NNc1ncnc2c1cnn2-c1ccccc1)c1ccncc1;BYTNUXIIMYFFMP-UFFVCSGVSA-N;315.34;2.66;9604917;;;CHEMBL63727;MDCK;EMDCK;25;0;"<a href=https://www.ebi.ac.uk/chembl/assay_report_card/CHEMBL713284/  target=_blank>CHEMBL713284</a>";;;;;;;;;-5;;;;;;;;;;;;"Peat AJ, Garrido D, Boucheron JA, Schweiker SL, Dickerson SH, Wilson JR, Wang TY, Thomson SA.: Novel GSK-3 inhibitors with improved cellular activity. Bioorg Med Chem Lett, Volume 14 (9), 2004";ChEMBL
MM474954;MM474954;COc1cccc(-n2ncc3c(NN=Cc4ccc(F)cc4)ncnc32)c1;RAOQCDVBADRLDK-AUEPDCJTSA-N;362.37;3.41;9604943;;;CHEMBL65884;MDCK;EMDCK;25;0;"<a href=https://www.ebi.ac.uk/chembl/assay_report_card/CHEMBL713284/  target=_blank>CHEMBL713284</a>";;;;;;;;;-6.3;;;;;;;;;;;;"Peat AJ, Garrido D, Boucheron JA, Schweiker SL, Dickerson SH, Wilson JR, Wang TY, Thomson SA.: Novel GSK-3 inhibitors with improved cellular activity. Bioorg Med Chem Lett, Volume 14 (9), 2004";ChEMBL
MM474955;MM474955;C(=NNc1ncnc2c1cnn2-c1cccc2[nH]cnc12)c1ccncc1;CJOZQFXWSCXETF-KTZMUZOWSA-N;355.37;2.53;9884977;;;CHEMBL65944;MDCK;EMDCK;25;0;"<a href=https://www.ebi.ac.uk/chembl/assay_report_card/CHEMBL713284/  target=_blank>CHEMBL713284</a>";;;;;;;;;-4.67;;;;;;;;;;;;"Peat AJ, Garrido D, Boucheron JA, Schweiker SL, Dickerson SH, Wilson JR, Wang TY, Thomson SA.: Novel GSK-3 inhibitors with improved cellular activity. Bioorg Med Chem Lett, Volume 14 (9), 2004";ChEMBL
MM474956;MM474956;COc1cccc(-n2ncc3c(N/N=C/c4ccc(C(=O)O)cc4)ncnc32)c1;FMUADIGMEFLZAN-AUEPDCJTSA-N;388.39;2.97;;;;;MDCK;EMDCK;25;0;"<a href=https://www.ebi.ac.uk/chembl/assay_report_card/CHEMBL713284/  target=_blank>CHEMBL713284</a>";;;;;;;;;-5.19;;;;;;;;;;;;"Peat AJ, Garrido D, Boucheron JA, Schweiker SL, Dickerson SH, Wilson JR, Wang TY, Thomson SA.: Novel GSK-3 inhibitors with improved cellular activity. Bioorg Med Chem Lett, Volume 14 (9), 2004";ChEMBL
MM474957;MM474957;O=C(O)c1ccc(C=NNc2ncnc3c2cnn3-c2cccc3[nH]cnc23)cc1;AKYXUYKRNRLTAG-ZNLRHDTNSA-N;398.39;2.84;10092260;;;CHEMBL66072;MDCK;EMDCK;25;0;"<a href=https://www.ebi.ac.uk/chembl/assay_report_card/CHEMBL713284/  target=_blank>CHEMBL713284</a>";;;;;;;;;-5.77;;;;;;;;;;;;"Peat AJ, Garrido D, Boucheron JA, Schweiker SL, Dickerson SH, Wilson JR, Wang TY, Thomson SA.: Novel GSK-3 inhibitors with improved cellular activity. Bioorg Med Chem Lett, Volume 14 (9), 2004";ChEMBL
MM474958;MM474958;COc1cccc(-n2ncc3c(NN=Cc4ccc(S(C)(=O)=O)cc4)ncnc32)c1;WKJFLAJZSWRICW-FOKLQQMPSA-N;422.47;2.67;9604948;;;CHEMBL66292;MDCK;EMDCK;25;0;"<a href=https://www.ebi.ac.uk/chembl/assay_report_card/CHEMBL713284/  target=_blank>CHEMBL713284</a>";;;;;;;;;-4.77;;;;;;;;;;;;"Peat AJ, Garrido D, Boucheron JA, Schweiker SL, Dickerson SH, Wilson JR, Wang TY, Thomson SA.: Novel GSK-3 inhibitors with improved cellular activity. Bioorg Med Chem Lett, Volume 14 (9), 2004";ChEMBL
MM474959;MM474959;Fc1ccc(/C=N/Nc2ncnc3c2cnn3-c2cccc3[nH]cnc23)cc1;ZFIMJZNGNMRTHA-ZNLRHDTNSA-N;372.37;3.28;;;;;MDCK;EMDCK;25;0;"<a href=https://www.ebi.ac.uk/chembl/assay_report_card/CHEMBL713284/  target=_blank>CHEMBL713284</a>";;;;;;;;;-5.04;;;;;;;;;;;;"Peat AJ, Garrido D, Boucheron JA, Schweiker SL, Dickerson SH, Wilson JR, Wang TY, Thomson SA.: Novel GSK-3 inhibitors with improved cellular activity. Bioorg Med Chem Lett, Volume 14 (9), 2004";ChEMBL
MM474960;MM474960;CN(C)CCNC(=O)c1ccc(C=NNc2ncnc3c2cnn3-c2ccccc2)cc1;POXGYBNJJBFCDU-MZJWZYIUSA-N;428.5;2.55;44307519;;;CHEMBL66993;MDCK;EMDCK;25;0;"<a href=https://www.ebi.ac.uk/chembl/assay_report_card/CHEMBL713284/  target=_blank>CHEMBL713284</a>";;;;;;;;;-5.01;;;;;;;;;;;;"Peat AJ, Garrido D, Boucheron JA, Schweiker SL, Dickerson SH, Wilson JR, Wang TY, Thomson SA.: Novel GSK-3 inhibitors with improved cellular activity. Bioorg Med Chem Lett, Volume 14 (9), 2004";ChEMBL
MM474961;MM474961;COc1cccc(-n2ncc3c(NN=Cc4ccc(C(=O)NCCN(C)C)cc4)ncnc32)c1;PGJTVDLNKJZVEU-CCVNUDIWSA-N;458.53;2.56;9604962;;;CHEMBL67374;MDCK;EMDCK;25;0;"<a href=https://www.ebi.ac.uk/chembl/assay_report_card/CHEMBL713284/  target=_blank>CHEMBL713284</a>";;;;;;;;;-5.82;;;;;;;;;;;;"Peat AJ, Garrido D, Boucheron JA, Schweiker SL, Dickerson SH, Wilson JR, Wang TY, Thomson SA.: Novel GSK-3 inhibitors with improved cellular activity. Bioorg Med Chem Lett, Volume 14 (9), 2004";ChEMBL
Verapamil;MM00585;COc1ccc(CCN(C)CCCC(C#N)(c2ccc(OC)c(OC)c2)C(C)C)cc1OC;SGTNSNPWRIOYBX-UHFFFAOYSA-N;454.61;5.09;2520;DB00661;;CHEMBL6966;MDCK;EMDCK;25;0;"<a href=https://www.ebi.ac.uk/chembl/assay_report_card/CHEMBL840609/  target=_blank>CHEMBL840609</a>";;;;;;;;;-4.78;;;;;;;;;;;;"Refsgaard HH, Jensen BF, Brockhoff PB, Padkjaer SB, Guldbrandt M, Christensen MS.: In silico prediction of membrane permeability from calculated molecular parameters. J Med Chem, Volume 48 (3), 2005";ChEMBL
MM474962;MM474962;CS(=O)(=O)c1ccc(C=NNc2ncnc3c2cnn3-c2cccc3[nH]cnc23)cc1;BTEDJGZRXQWYSZ-YCPBAFNGSA-N;432.47;2.54;10432939;;;CHEMBL69687;MDCK;EMDCK;25;0;"<a href=https://www.ebi.ac.uk/chembl/assay_report_card/CHEMBL713284/  target=_blank>CHEMBL713284</a>";;;;;;;;;-5.21;;;;;;;;;;;;"Peat AJ, Garrido D, Boucheron JA, Schweiker SL, Dickerson SH, Wilson JR, Wang TY, Thomson SA.: Novel GSK-3 inhibitors with improved cellular activity. Bioorg Med Chem Lett, Volume 14 (9), 2004";ChEMBL
Salmeterol;MM474773;OCc1cc(C(O)CNCCCCCCOCCCCc2ccccc2)ccc1O;GIIZNNXWQWCKIB-UHFFFAOYSA-N;415.57;4.11;;;;;MDCK;EMDCK;25;0;"MDCK-MDR, <a href=https://www.ebi.ac.uk/chembl/assay_report_card/CHEMBL1019686/  target=_blank>CHEMBL1019686</a>";;;;;;;;;-4.92;;;;;;;;;;;;"Procopiou PA, Barrett VJ, Bevan NJ, Biggadike K, Butchers PR, Coe DM, Conroy R, Edney DD, Field RN, Ford AJ, Guntrip SB, Looker BE, McLay IM, Monteith MJ, Morrison VS, Mutch PJ, Richards SA, Sasse R, Smith CE.: Synthesis and structure-activity relationships of long-acting beta2 adrenergic receptor agonists incorporating arylsulfonamide groups. J Med Chem, Volume 52 (8), 2009";ChEMBL
MM474963;MM474963;CN1C(=O)C(C(=O)Nc2nncs2)c2cc3occc3cc21;;314.33;1.98;11438405;;;CHEMBL200906;MDCK;EMDCK;25;0;"MDCK-MDR, <a href=https://www.ebi.ac.uk/chembl/assay_report_card/CHEMBL860263/  target=_blank>CHEMBL860263</a>";;;;;;;;;-5.34;;;;;;;;;;;;"Chambers RJ, Abrams K, Garceau NY, Kamath AV, Manley CM, Lilley SC, Otte DA, Scott DO, Sheils AL, Tess DA, Vellekoop AS, Zhang Y, Lam KT.: A new chemical tool for exploring the physiological function of the PDE2 isozyme. Bioorg Med Chem Lett, Volume 16 (2), 2006";ChEMBL
MM475044;MM475044;C[C@@H](Oc1cccc2ncnc(Nc3ccc4c(cnn4Cc4nccs4)c3)c12)C(=O)N1CCOCC1;RZPOCZHUFDCVQZ-QGZVFWFLSA-N;515.6;3.85;;;;;MDCK;EMDCK;25;0;"MDCK-MDR, <a href=https://www.ebi.ac.uk/chembl/assay_report_card/CHEMBL929940/  target=_blank>CHEMBL929940</a>";;;;;;;;;-5;;;;;;;;;;;;"Barlaam B, Acton DG, Ballard P, Bradbury RH, Cross D, Ducray R, Germain H, Hudson K, Klinowska T, Magnien F, Ogilvie DJ, Olivier A, Ross HS, Smith R, Trigwell CB, Vautier M, Wright L.: Neutral 5-substituted 4-indazolylaminoquinazolines as potent, orally active inhibitors of erbB2 receptor tyrosine kinase. Bioorg Med Chem Lett, Volume 18 (6), 2008";ChEMBL
MM474774;MM474774;NS(=O)(=O)c1cccc(CCCCOCCCCCCNC[C@H](O)c2ccc(O)c(CO)c2)c1;GBTODAKMABNGIJ-VWLOTQADSA-N;494.65;2.75;;;;;MDCK;EMDCK;25;0;"MDCK-MDR, <a href=https://www.ebi.ac.uk/chembl/assay_report_card/CHEMBL1019686/  target=_blank>CHEMBL1019686</a>";;;;;;;;;-6.35;;;;;;;;;;;;"Procopiou PA, Barrett VJ, Bevan NJ, Biggadike K, Butchers PR, Coe DM, Conroy R, Edney DD, Field RN, Ford AJ, Guntrip SB, Looker BE, McLay IM, Monteith MJ, Morrison VS, Mutch PJ, Richards SA, Sasse R, Smith CE.: Synthesis and structure-activity relationships of long-acting beta2 adrenergic receptor agonists incorporating arylsulfonamide groups. J Med Chem, Volume 52 (8), 2009";ChEMBL
MM475074;MM475074;CC(=O)Nc1cc(-c2cccc(N3CCN(C)CC3)n2)nc(-n2nc(C)cc2C)n1;CQMWNSQCEMHNIW-UHFFFAOYSA-N;406.49;2.05;25138090;;;CHEMBL486162;MDCK;EMDCK;25;0;"MDCK-MDR, <a href=https://www.ebi.ac.uk/chembl/assay_report_card/CHEMBL953154/  target=_blank>CHEMBL953154</a>";;;;;;;;;-4.81;;;;;;;;;;;;"Zhang X, Tellew JE, Luo Z, Moorjani M, Lin E, Lanier MC, Chen Y, Williams JP, Saunders J, Lechner SM, Markison S, Joswig T, Petroski R, Piercey J, Kargo W, Malany S, Santos M, Gross RS, Wen J, Jalali K, O'Brien Z, Stotz CE, Crespo MI, Díaz JL, Slee DH.: Lead optimization of 4-acetylamino-2-(3,5-dimethylpyrazol-1-yl)-6-pyridylpyrimidines as A2A adenosine receptor antagonists for the treatment of Parkinson's disease. J Med Chem, Volume 51 (22), 2008";ChEMBL
MM475122;MM475122;CS(=O)(=O)Nc1ccc2c(c1)S(=O)(=O)N=C(C1=C(O)[C@@H]3[C@H]4CC[C@H](C4)[C@@H]3N(Cc3ccc(F)cc3)C1=O)N2;DEKOYVOWOVJMPM-RLHIPHHXSA-N;560.63;2.98;;;;;CACO;ECACO;25;0;"from A to B, <a href=https://www.ebi.ac.uk/chembl/assay_report_card/CHEMBL1112197/  target=_blank>CHEMBL1112197</a>";;;;;;;;;-5.89;;;;;;;;;;;;"Ruebsam F, Murphy DE, Tran CV, Li LS, Zhao J, Dragovich PS, McGuire HM, Xiang AX, Sun Z, Ayida BK, Blazel JK, Kim SH, Zhou Y, Han Q, Kissinger CR, Webber SE, Showalter RE, Shah AM, Tsan M, Patel RA, Thompson PA, Lebrun LA, Hou HJ, Kamran R, Sergeeva MV, Bartkowski DM, Nolan TG, Norris DA, Khandurina J, Brooks J, Okamoto E, Kirkovsky L.: Discovery of tricyclic 5,6-dihydro-1H-pyridin-2-ones as novel, potent, and orally bioavailable inhibitors of HCV NS5B polymerase. Bioorg Med Chem Lett, Volume 19 (22), 2009";ChEMBL
MM475123;MM475123;CS(=O)(=O)Nc1ccc2c(c1)S(=O)(=O)N=C(C1=C(O)[C@H]3[C@@H]4CC[C@@H](C4)[C@H]3N(Cc3ccc(F)cc3)C1=O)N2;DEKOYVOWOVJMPM-SVBQBFEESA-N;560.63;2.98;;;;;CACO;ECACO;25;0;"from A to B, <a href=https://www.ebi.ac.uk/chembl/assay_report_card/CHEMBL1112197/  target=_blank>CHEMBL1112197</a>";;;;;;;;;-5.05;;;;;;;;;;;;"Ruebsam F, Murphy DE, Tran CV, Li LS, Zhao J, Dragovich PS, McGuire HM, Xiang AX, Sun Z, Ayida BK, Blazel JK, Kim SH, Zhou Y, Han Q, Kissinger CR, Webber SE, Showalter RE, Shah AM, Tsan M, Patel RA, Thompson PA, Lebrun LA, Hou HJ, Kamran R, Sergeeva MV, Bartkowski DM, Nolan TG, Norris DA, Khandurina J, Brooks J, Okamoto E, Kirkovsky L.: Discovery of tricyclic 5,6-dihydro-1H-pyridin-2-ones as novel, potent, and orally bioavailable inhibitors of HCV NS5B polymerase. Bioorg Med Chem Lett, Volume 19 (22), 2009";ChEMBL
MM475124;MM475124;CS(=O)(=O)Nc1ccc2c(c1)S(=O)(=O)N=C(C1=C(O)C3C4CCC(C4)C3N(Cc3ccc(F)c(F)c3)C1=O)N2;POXSEBOSMJMBJD-VQXITPLLSA-N;578.62;3.12;135976567;;;CHEMBL1076409;CACO;ECACO;25;0;"from A to B, <a href=https://www.ebi.ac.uk/chembl/assay_report_card/CHEMBL1112197/  target=_blank>CHEMBL1112197</a>";;;;;;;;;-5.98;;;;;;;;;;;;"Ruebsam F, Murphy DE, Tran CV, Li LS, Zhao J, Dragovich PS, McGuire HM, Xiang AX, Sun Z, Ayida BK, Blazel JK, Kim SH, Zhou Y, Han Q, Kissinger CR, Webber SE, Showalter RE, Shah AM, Tsan M, Patel RA, Thompson PA, Lebrun LA, Hou HJ, Kamran R, Sergeeva MV, Bartkowski DM, Nolan TG, Norris DA, Khandurina J, Brooks J, Okamoto E, Kirkovsky L.: Discovery of tricyclic 5,6-dihydro-1H-pyridin-2-ones as novel, potent, and orally bioavailable inhibitors of HCV NS5B polymerase. Bioorg Med Chem Lett, Volume 19 (22), 2009";ChEMBL
MM475125;MM475125;Cc1cc(CN2C(=O)C(C3=NS(=O)(=O)c4cc(NS(C)(=O)=O)ccc4N3)=C(O)C3C4CCC(C4)C32)ccc1F;KSLLJELXHJQTBA-FACYHLHNSA-N;574.66;3.29;135976571;;;CHEMBL1076413;CACO;ECACO;25;0;"from A to B, <a href=https://www.ebi.ac.uk/chembl/assay_report_card/CHEMBL1112197/  target=_blank>CHEMBL1112197</a>";;;;;;;;;-5.4;;;;;;;;;;;;"Ruebsam F, Murphy DE, Tran CV, Li LS, Zhao J, Dragovich PS, McGuire HM, Xiang AX, Sun Z, Ayida BK, Blazel JK, Kim SH, Zhou Y, Han Q, Kissinger CR, Webber SE, Showalter RE, Shah AM, Tsan M, Patel RA, Thompson PA, Lebrun LA, Hou HJ, Kamran R, Sergeeva MV, Bartkowski DM, Nolan TG, Norris DA, Khandurina J, Brooks J, Okamoto E, Kirkovsky L.: Discovery of tricyclic 5,6-dihydro-1H-pyridin-2-ones as novel, potent, and orally bioavailable inhibitors of HCV NS5B polymerase. Bioorg Med Chem Lett, Volume 19 (22), 2009";ChEMBL
MM475126;MM475126;CS(=O)(=O)Nc1ccc2c(c1)S(=O)(=O)N=C(C1=C(O)C3C4CCC(O4)C3N(Cc3ccc(F)cc3)C1=O)N2;VVJGOBZVAYNTLT-ZDWTUXFCSA-N;562.6;2.11;135976582;;;CHEMBL1076425;CACO;ECACO;25;0;"from A to B, <a href=https://www.ebi.ac.uk/chembl/assay_report_card/CHEMBL1112197/  target=_blank>CHEMBL1112197</a>";;;;;;;;;-7.1;;;;;;;;;;;;"Ruebsam F, Murphy DE, Tran CV, Li LS, Zhao J, Dragovich PS, McGuire HM, Xiang AX, Sun Z, Ayida BK, Blazel JK, Kim SH, Zhou Y, Han Q, Kissinger CR, Webber SE, Showalter RE, Shah AM, Tsan M, Patel RA, Thompson PA, Lebrun LA, Hou HJ, Kamran R, Sergeeva MV, Bartkowski DM, Nolan TG, Norris DA, Khandurina J, Brooks J, Okamoto E, Kirkovsky L.: Discovery of tricyclic 5,6-dihydro-1H-pyridin-2-ones as novel, potent, and orally bioavailable inhibitors of HCV NS5B polymerase. Bioorg Med Chem Lett, Volume 19 (22), 2009";ChEMBL
MM475127;MM475127;CS(=O)(=O)Nc1ccc2c(c1)S(=O)(=O)N=C(C1=C(O)[C@H]3[C@H]4CC[C@H](C4)[C@H]3N(Cc3ccc(F)cc3)C1=O)N2;DEKOYVOWOVJMPM-GDZMOAKWSA-N;560.63;2.98;;;;;CACO;ECACO;25;0;"from A to B, <a href=https://www.ebi.ac.uk/chembl/assay_report_card/CHEMBL1112197/  target=_blank>CHEMBL1112197</a>";;;;;;;;;-5.7;;;;;;;;;;;;"Ruebsam F, Murphy DE, Tran CV, Li LS, Zhao J, Dragovich PS, McGuire HM, Xiang AX, Sun Z, Ayida BK, Blazel JK, Kim SH, Zhou Y, Han Q, Kissinger CR, Webber SE, Showalter RE, Shah AM, Tsan M, Patel RA, Thompson PA, Lebrun LA, Hou HJ, Kamran R, Sergeeva MV, Bartkowski DM, Nolan TG, Norris DA, Khandurina J, Brooks J, Okamoto E, Kirkovsky L.: Discovery of tricyclic 5,6-dihydro-1H-pyridin-2-ones as novel, potent, and orally bioavailable inhibitors of HCV NS5B polymerase. Bioorg Med Chem Lett, Volume 19 (22), 2009";ChEMBL
MM475129;MM475129;Cc1ccc(CCNc2ncc(C)n(CC(=O)N(C)CCON=C(N)N)c2=O)cc1;;415.5;0.39;46881272;;;CHEMBL1077101;CACO;ECACO;25;0;"from A to B, <a href=https://www.ebi.ac.uk/chembl/assay_report_card/CHEMBL1100522/  target=_blank>CHEMBL1100522</a>";;;;;;;;;-6.57;;;;;;;;;;;;"Lu T, Markotan T, Ballentine SK, Giardino EC, Spurlino J, Crysler CS, Brown K, Maryanoff BE, Tomczuk BE, Damiano BP, Shukla U, End D, Andrade-Gordon P, Bone RF, Player MR.: Discovery and clinical evaluation of 1-{N-[2-(amidinoaminooxy)ethyl]amino}carbonylmethyl-6-methyl-3-[2,2-difluoro-2-phenylethylamino]pyrazinone (RWJ-671818), a thrombin inhibitor with an oxyguanidine P1 motif. J Med Chem, Volume 53 (4), 2010";ChEMBL
MM475132;MM475132;CCCCC1N(CC2CCCCC2)C(=O)OC12CCN(C1(C)CCN(C(=O)c3c(C)cccc3C)CC1)CC2;FRWMBAREYKAXIM-UHFFFAOYSA-N;537.79;6.72;46882916;;;CHEMBL1077779;CACO;ECACO;25;0;"from A to B, <a href=https://www.ebi.ac.uk/chembl/assay_report_card/CHEMBL1116697/  target=_blank>CHEMBL1116697</a>";;;;;;;;;-4.85;;;;;;;;;;;;"Rotstein DM, Gabriel SD, Makra F, Filonova L, Gleason S, Brotherton-Pleiss C, Setti LQ, Trejo-Martin A, Lee EK, Sankuratri S, Ji C, Derosier A, Dioszegi M, Heilek G, Jekle A, Berry P, Weller P, Mau CI.: Spiropiperidine CCR5 antagonists. Bioorg Med Chem Lett, Volume 19 (18), 2009";ChEMBL
MM475133;MM475133;N#CCNC(=O)c1ccc(-c2ccnc(Nc3ccc(N4CCOCC4)cc3)n2)cc1;;414.47;2.98;25062766;;;CHEMBL1078178;CACO;ECACO;25;0;"from A to B, <a href=https://www.ebi.ac.uk/chembl/assay_report_card/CHEMBL1108561/  target=_blank>CHEMBL1108561</a>";;;;;;;;;-4.52;;;;;;;;;;;;"Burns CJ, Bourke DG, Andrau L, Bu X, Charman SA, Donohue AC, Fantino E, Farrugia M, Feutrill JT, Joffe M, Kling MR, Kurek M, Nero TL, Nguyen T, Palmer JT, Phillips I, Shackleford DM, Sikanyika H, Styles M, Su S, Treutlein H, Zeng J, Wilks AF.: Phenylaminopyrimidines as inhibitors of Janus kinases (JAKs). Bioorg Med Chem Lett, Volume 19 (20), 2009";ChEMBL
MM475134;MM475134;CCCCC1N(CC2CCOCC2)C(=O)OC12CCN(C1(C)CCN(C(=O)c3c(C)ncnc3C)CC1)CC2;KQLSXCNTMVFPSL-UHFFFAOYSA-N;541.74;4.36;46882948;;;CHEMBL1078659;CACO;ECACO;25;0;"from A to B, <a href=https://www.ebi.ac.uk/chembl/assay_report_card/CHEMBL1116697/  target=_blank>CHEMBL1116697</a>";;;;;;;;;-6.22;;;;;;;;;;;;"Rotstein DM, Gabriel SD, Makra F, Filonova L, Gleason S, Brotherton-Pleiss C, Setti LQ, Trejo-Martin A, Lee EK, Sankuratri S, Ji C, Derosier A, Dioszegi M, Heilek G, Jekle A, Berry P, Weller P, Mau CI.: Spiropiperidine CCR5 antagonists. Bioorg Med Chem Lett, Volume 19 (18), 2009";ChEMBL
MM475135;MM475135;CS(=O)(=O)Nc1ccc(-c2ccnc(Nc3ccc(CN4CCS(=O)(=O)CC4)cc3)n2)cc1;;487.61;2.49;46882590;;;CHEMBL1078889;CACO;ECACO;25;0;"from A to B, <a href=https://www.ebi.ac.uk/chembl/assay_report_card/CHEMBL1108561/  target=_blank>CHEMBL1108561</a>";;;;;;;;;-5.34;;;;;;;;;;;;"Burns CJ, Bourke DG, Andrau L, Bu X, Charman SA, Donohue AC, Fantino E, Farrugia M, Feutrill JT, Joffe M, Kling MR, Kurek M, Nero TL, Nguyen T, Palmer JT, Phillips I, Shackleford DM, Sikanyika H, Styles M, Su S, Treutlein H, Zeng J, Wilks AF.: Phenylaminopyrimidines as inhibitors of Janus kinases (JAKs). Bioorg Med Chem Lett, Volume 19 (20), 2009";ChEMBL
MM474861;MM474861;CC(C)CN(C(=O)c1cccc(Cl)c1Cl)C1CCNC1;;315.24;3.45;11392888;;;CHEMBL1080787;CACO;ECACO;25;0;"from A to B, <a href=https://www.ebi.ac.uk/chembl/assay_report_card/CHEMBL1112322/  target=_blank>CHEMBL1112322</a>";;;;;;;;;-4.92;;;;;;;;;;;;"Wakenhut F, Allan GA, Fish PV, Fray MJ, Harrison AC, McCoy R, Phillips SC, Ryckmans T, Stobie A, Westbrook D, Westbrook SL, Whitlock GA.: N-[(3S)-Pyrrolidin-3-yl]benzamides as novel dual serotonin and noradrenaline reuptake inhibitors: impact of small structural modifications on P-gp recognition and CNS penetration. Bioorg Med Chem Lett, Volume 19 (17), 2009";ChEMBL
MM475149;MM475149;CCCCC1CN(C2CCOCC2)C(=O)N1C1CCN(C2(C)CCN(C(=O)c3c(C)ncnc3C)CC2)CC1;HWJLBUCAKPCIRM-UHFFFAOYSA-N;540.75;4.03;25205601;;;CHEMBL1082487;CACO;ECACO;25;0;"from A to B, <a href=https://www.ebi.ac.uk/chembl/assay_report_card/CHEMBL1119778/  target=_blank>CHEMBL1119778</a>";;;;;;;;;-6.4;;;;;;;;;;;;"Rotstein DM, Gabriel SD, Manser N, Filonova L, Padilla F, Sankuratri S, Ji C, deRosier A, Dioszegi M, Heilek G, Jekle A, Weller P, Berry P.: Synthesis, SAR and evaluation of [1,4']-bipiperidinyl-4-yl-imidazolidin-2-one derivatives as novel CCR5 antagonists. Bioorg Med Chem Lett, Volume 20 (11), 2010";ChEMBL
MM475150;MM475150;COc1cc(F)c2[nH]c(-c3c(C)nn(C)c3C)c(C=C3Oc4ccc(NC(=O)Nc5ccc(C(=O)N(C)CCN(C)C)cc5)cc4C3=O)c2c1;YKPMNBJYASHWAN-ZCTHSVRISA-N;679.75;6.23;46891474;;;CHEMBL1082621;CACO;ECACO;25;0;"from A to B, <a href=https://www.ebi.ac.uk/chembl/assay_report_card/CHEMBL1119667/  target=_blank>CHEMBL1119667</a>";;;;;;;;;-6.52;;;;;;;;;;;;"Zhang N, Ayral-Kaloustian S, Anderson JT, Nguyen T, Das S, Venkatesan AM, Brooijmans N, Lucas J, Yu K, Hollander I, Mallon R.: 5-ureidobenzofuranone indoles as potent and efficacious inhibitors of PI3 kinase-alpha and mTOR for the treatment of breast cancer. Bioorg Med Chem Lett, Volume 20 (12), 2010";ChEMBL
MM475152;MM475152;Cc1cc(C#N)nc(C)c1C(=O)N1CCC(C)(N2CCC(N3C(=O)N(C)CC3c3ccccc3)CC2)CC1;UAQHXCHBMPJOKD-SANMLTNESA-N;514.67;4.14;46890427;;;CHEMBL1083126;CACO;ECACO;25;0;"from A to B, <a href=https://www.ebi.ac.uk/chembl/assay_report_card/CHEMBL1119778/  target=_blank>CHEMBL1119778</a>";;;;;;;;;-6.22;;;;;;;;;;;;"Rotstein DM, Gabriel SD, Manser N, Filonova L, Padilla F, Sankuratri S, Ji C, deRosier A, Dioszegi M, Heilek G, Jekle A, Weller P, Berry P.: Synthesis, SAR and evaluation of [1,4']-bipiperidinyl-4-yl-imidazolidin-2-one derivatives as novel CCR5 antagonists. Bioorg Med Chem Lett, Volume 20 (11), 2010";ChEMBL
MM475153;MM475153;Cc1cnc(NCCc2ccc(F)cc2F)c(=O)n1CC(=O)NCCON=C(N)N;;423.42;0.02;18671884;;;CHEMBL1083189;CACO;ECACO;25;0;"from A to B, <a href=https://www.ebi.ac.uk/chembl/assay_report_card/CHEMBL1100522/  target=_blank>CHEMBL1100522</a>";;;;;;;;;-6.3;;;;;;;;;;;;"Lu T, Markotan T, Ballentine SK, Giardino EC, Spurlino J, Crysler CS, Brown K, Maryanoff BE, Tomczuk BE, Damiano BP, Shukla U, End D, Andrade-Gordon P, Bone RF, Player MR.: Discovery and clinical evaluation of 1-{N-[2-(amidinoaminooxy)ethyl]amino}carbonylmethyl-6-methyl-3-[2,2-difluoro-2-phenylethylamino]pyrazinone (RWJ-671818), a thrombin inhibitor with an oxyguanidine P1 motif. J Med Chem, Volume 53 (4), 2010";ChEMBL
MM475154;MM475154;Cc1cnc(NCCc2ccc(C(F)(F)F)cc2)c(=O)n1CC(=O)NCCON=C(N)N;;455.44;0.76;18671920;;;CHEMBL1083190;CACO;ECACO;25;0;"from A to B, <a href=https://www.ebi.ac.uk/chembl/assay_report_card/CHEMBL1100522/  target=_blank>CHEMBL1100522</a>";;;;;;;;;-6.13;;;;;;;;;;;;"Lu T, Markotan T, Ballentine SK, Giardino EC, Spurlino J, Crysler CS, Brown K, Maryanoff BE, Tomczuk BE, Damiano BP, Shukla U, End D, Andrade-Gordon P, Bone RF, Player MR.: Discovery and clinical evaluation of 1-{N-[2-(amidinoaminooxy)ethyl]amino}carbonylmethyl-6-methyl-3-[2,2-difluoro-2-phenylethylamino]pyrazinone (RWJ-671818), a thrombin inhibitor with an oxyguanidine P1 motif. J Med Chem, Volume 53 (4), 2010";ChEMBL
MM475155;MM475155;COc1ccc(CCNc2ncc(C)n(CC(=O)NCCON=C(N)N)c2=O)cc1;;417.47;-0.25;9802069;;;CHEMBL1083191;CACO;ECACO;25;0;"from A to B, <a href=https://www.ebi.ac.uk/chembl/assay_report_card/CHEMBL1100522/  target=_blank>CHEMBL1100522</a>";;;;;;;;;-6.55;;;;;;;;;;;;"Lu T, Markotan T, Ballentine SK, Giardino EC, Spurlino J, Crysler CS, Brown K, Maryanoff BE, Tomczuk BE, Damiano BP, Shukla U, End D, Andrade-Gordon P, Bone RF, Player MR.: Discovery and clinical evaluation of 1-{N-[2-(amidinoaminooxy)ethyl]amino}carbonylmethyl-6-methyl-3-[2,2-difluoro-2-phenylethylamino]pyrazinone (RWJ-671818), a thrombin inhibitor with an oxyguanidine P1 motif. J Med Chem, Volume 53 (4), 2010";ChEMBL
MM475156;MM475156;CCCCC1CN(CC2CCOCC2)C(=O)N1C1CCN(C2(C)CCN(C(=O)c3c(C)ncnc3C)CC2)CC1;WWQMRSATUNQSKQ-UHFFFAOYSA-N;554.78;4.28;25205764;;;CHEMBL1083437;CACO;ECACO;25;0;"from A to B, <a href=https://www.ebi.ac.uk/chembl/assay_report_card/CHEMBL1119778/  target=_blank>CHEMBL1119778</a>";;;;;;;;;-6.4;;;;;;;;;;;;"Rotstein DM, Gabriel SD, Manser N, Filonova L, Padilla F, Sankuratri S, Ji C, deRosier A, Dioszegi M, Heilek G, Jekle A, Weller P, Berry P.: Synthesis, SAR and evaluation of [1,4']-bipiperidinyl-4-yl-imidazolidin-2-one derivatives as novel CCR5 antagonists. Bioorg Med Chem Lett, Volume 20 (11), 2010";ChEMBL
MM475157;MM475157;O=C(CCCCCNC(=O)NC(=O)c1ccccc1)NO;VQLQZMGNGMOMPU-UHFFFAOYSA-N;293.32;1.19;11449246;;;CHEMBL1083439;CACO;ECACO;25;0;"from A to B, <a href=https://www.ebi.ac.uk/chembl/assay_report_card/CHEMBL1119918/  target=_blank>CHEMBL1119918</a>";;;;;;;;;-5.51;;;;;;;;;;;;"Wang H, Lim ZY, Zhou Y, Ng M, Lu T, Lee K, Sangthongpitag K, Goh KC, Wang X, Wu X, Khng HH, Goh SK, Ong WC, Bonday Z, Sun ET.: Acylurea connected straight chain hydroxamates as novel histone deacetylase inhibitors: Synthesis, SAR, and in vivo antitumor activity. Bioorg Med Chem Lett, Volume 20 (11), 2010";ChEMBL
MM475158;MM475158;Cc1cnc(NCC(F)(F)c2ccccc2)c(=O)n1CC(=O)NCCON=C(N)N;;423.42;0.29;9866964;;;CHEMBL1083499;CACO;ECACO;25;0;"from A to B, <a href=https://www.ebi.ac.uk/chembl/assay_report_card/CHEMBL1100522/  target=_blank>CHEMBL1100522</a>";;;;;;;;;-5.86;;;;;;;;;;;;"Lu T, Markotan T, Ballentine SK, Giardino EC, Spurlino J, Crysler CS, Brown K, Maryanoff BE, Tomczuk BE, Damiano BP, Shukla U, End D, Andrade-Gordon P, Bone RF, Player MR.: Discovery and clinical evaluation of 1-{N-[2-(amidinoaminooxy)ethyl]amino}carbonylmethyl-6-methyl-3-[2,2-difluoro-2-phenylethylamino]pyrazinone (RWJ-671818), a thrombin inhibitor with an oxyguanidine P1 motif. J Med Chem, Volume 53 (4), 2010";ChEMBL
MM475159;MM475159;Cc1cnc(NCCc2ccc(F)cc2)c(=O)n1CC(=O)NCCON=C(N)N;;405.43;-0.12;18671915;;;CHEMBL1083500;CACO;ECACO;25;0;"from A to B, <a href=https://www.ebi.ac.uk/chembl/assay_report_card/CHEMBL1100522/  target=_blank>CHEMBL1100522</a>";;;;;;;;;-6.26;;;;;;;;;;;;"Lu T, Markotan T, Ballentine SK, Giardino EC, Spurlino J, Crysler CS, Brown K, Maryanoff BE, Tomczuk BE, Damiano BP, Shukla U, End D, Andrade-Gordon P, Bone RF, Player MR.: Discovery and clinical evaluation of 1-{N-[2-(amidinoaminooxy)ethyl]amino}carbonylmethyl-6-methyl-3-[2,2-difluoro-2-phenylethylamino]pyrazinone (RWJ-671818), a thrombin inhibitor with an oxyguanidine P1 motif. J Med Chem, Volume 53 (4), 2010";ChEMBL
MM475160;MM475160;Cc1cnc(NCCc2ccc(F)c(F)c2)c(=O)n1CC(=O)NCCON=C(N)N;;423.42;0.02;18671904;;;CHEMBL1083501;CACO;ECACO;25;0;"from A to B, <a href=https://www.ebi.ac.uk/chembl/assay_report_card/CHEMBL1100522/  target=_blank>CHEMBL1100522</a>";;;;;;;;;-6.04;;;;;;;;;;;;"Lu T, Markotan T, Ballentine SK, Giardino EC, Spurlino J, Crysler CS, Brown K, Maryanoff BE, Tomczuk BE, Damiano BP, Shukla U, End D, Andrade-Gordon P, Bone RF, Player MR.: Discovery and clinical evaluation of 1-{N-[2-(amidinoaminooxy)ethyl]amino}carbonylmethyl-6-methyl-3-[2,2-difluoro-2-phenylethylamino]pyrazinone (RWJ-671818), a thrombin inhibitor with an oxyguanidine P1 motif. J Med Chem, Volume 53 (4), 2010";ChEMBL
MM475161;MM475161;Cc1ccc(-c2ccc(C(=O)NC3(C(=O)NC(CCCN4CCN(CC5CCOCC5)CC4)Cc4ccccc4)CCCC3)cc2)cc1;OTCVPAOGBITYCE-LHEWISCISA-N;650.91;6.26;46237825;;;CHEMBL1083559;CACO;ECACO;25;0;"from A to B, <a href=https://www.ebi.ac.uk/chembl/assay_report_card/CHEMBL1120422/  target=_blank>CHEMBL1120422</a>";;;;;;;;;-5.15;;;;;;;;;;;;"Fattori D, Porcelloni M, D'Andrea P, Catalioto RM, Ettorre A, Giuliani S, Marastoni E, Mauro S, Meini S, Rossi C, Altamura M, Maggi CA.: Structure-activity relationships of 6-methyl-benzo[b]thiophene-2-carboxylic acid (1-[(S)-1-benzyl-4-[4-(tetrahydropyran-4-ylmethyl)piperazin-1-yl]butylcarbamoyl]cyclopentyl)amide, potent antagonist of the neurokinin-2 receptor. J Med Chem, Volume 53 (10), 2010";ChEMBL
MM475162;MM475162;O=C(NC1(C(=O)NC(CCCN2CCN(CC3CCOCC3)CC2)Cc2ccccc2)CCCC1)c1ccc(-c2ccccc2)cc1;PGRZDFUKUNJXDD-QNGWXLTQSA-N;636.88;5.95;46237957;;;CHEMBL1083560;CACO;ECACO;25;0;"from A to B, <a href=https://www.ebi.ac.uk/chembl/assay_report_card/CHEMBL1120422/  target=_blank>CHEMBL1120422</a>";;;;;;;;;-4.87;;;;;;;;;;;;"Fattori D, Porcelloni M, D'Andrea P, Catalioto RM, Ettorre A, Giuliani S, Marastoni E, Mauro S, Meini S, Rossi C, Altamura M, Maggi CA.: Structure-activity relationships of 6-methyl-benzo[b]thiophene-2-carboxylic acid (1-[(S)-1-benzyl-4-[4-(tetrahydropyran-4-ylmethyl)piperazin-1-yl]butylcarbamoyl]cyclopentyl)amide, potent antagonist of the neurokinin-2 receptor. J Med Chem, Volume 53 (10), 2010";ChEMBL
MM475163;MM475163;O=C(NC1(C(=O)NC(CCCN2CCN(CC3CCOCC3)CC2)Cc2ccccc2)CCCC1)c1ccc2ccccc2c1;ZXRIWIVIXXWDGK-DHUJRADRSA-N;610.84;5.43;46237960;;;CHEMBL1083561;CACO;ECACO;25;0;"from A to B, <a href=https://www.ebi.ac.uk/chembl/assay_report_card/CHEMBL1120422/  target=_blank>CHEMBL1120422</a>";;;;;;;;;-4.84;;;;;;;;;;;;"Fattori D, Porcelloni M, D'Andrea P, Catalioto RM, Ettorre A, Giuliani S, Marastoni E, Mauro S, Meini S, Rossi C, Altamura M, Maggi CA.: Structure-activity relationships of 6-methyl-benzo[b]thiophene-2-carboxylic acid (1-[(S)-1-benzyl-4-[4-(tetrahydropyran-4-ylmethyl)piperazin-1-yl]butylcarbamoyl]cyclopentyl)amide, potent antagonist of the neurokinin-2 receptor. J Med Chem, Volume 53 (10), 2010";ChEMBL
MM475165;MM475165;O=C(NC1(C(=O)N[C@@H](CCCN2CCN(CC3CCOCC3)CC2)Cc2ccccc2)CCCC1)c1cc2cc(Cl)ccc2o1;QXHSKALBSZTNEQ-HKBQPEDESA-N;635.25;5.68;;;;;CACO;ECACO;25;0;"from A to B, <a href=https://www.ebi.ac.uk/chembl/assay_report_card/CHEMBL1120422/  target=_blank>CHEMBL1120422</a>";;;;;;;;;-4.86;;;;;;;;;;;;"Fattori D, Porcelloni M, D'Andrea P, Catalioto RM, Ettorre A, Giuliani S, Marastoni E, Mauro S, Meini S, Rossi C, Altamura M, Maggi CA.: Structure-activity relationships of 6-methyl-benzo[b]thiophene-2-carboxylic acid (1-[(S)-1-benzyl-4-[4-(tetrahydropyran-4-ylmethyl)piperazin-1-yl]butylcarbamoyl]cyclopentyl)amide, potent antagonist of the neurokinin-2 receptor. J Med Chem, Volume 53 (10), 2010";ChEMBL
MM475166;MM475166;COc1ccc2oc(C(=O)NC3(C(=O)NC(CCCN4CCN(CC5CCOCC5)CC4)Cc4ccccc4)CCCC3)cc2c1;MWXNEDJGFIJNMF-HKBQPEDESA-N;630.83;5.04;46238229;;;CHEMBL1083847;CACO;ECACO;25;0;"from A to B, <a href=https://www.ebi.ac.uk/chembl/assay_report_card/CHEMBL1120422/  target=_blank>CHEMBL1120422</a>";;;;;;;;;-5.07;;;;;;;;;;;;"Fattori D, Porcelloni M, D'Andrea P, Catalioto RM, Ettorre A, Giuliani S, Marastoni E, Mauro S, Meini S, Rossi C, Altamura M, Maggi CA.: Structure-activity relationships of 6-methyl-benzo[b]thiophene-2-carboxylic acid (1-[(S)-1-benzyl-4-[4-(tetrahydropyran-4-ylmethyl)piperazin-1-yl]butylcarbamoyl]cyclopentyl)amide, potent antagonist of the neurokinin-2 receptor. J Med Chem, Volume 53 (10), 2010";ChEMBL
MM475167;MM475167;Cc1ccc2oc(C(=O)NC3(C(=O)NC(CCCN4CCN(CC5CCOCC5)CC4)Cc4ccccc4)CCCC3)cc2c1;POQVHRORJJLKKH-YTTGMZPUSA-N;614.83;5.34;46238232;;;CHEMBL1083848;CACO;ECACO;25;0;"from A to B, <a href=https://www.ebi.ac.uk/chembl/assay_report_card/CHEMBL1120422/  target=_blank>CHEMBL1120422</a>";;;;;;;;;-4.52;;;;;;;;;;;;"Fattori D, Porcelloni M, D'Andrea P, Catalioto RM, Ettorre A, Giuliani S, Marastoni E, Mauro S, Meini S, Rossi C, Altamura M, Maggi CA.: Structure-activity relationships of 6-methyl-benzo[b]thiophene-2-carboxylic acid (1-[(S)-1-benzyl-4-[4-(tetrahydropyran-4-ylmethyl)piperazin-1-yl]butylcarbamoyl]cyclopentyl)amide, potent antagonist of the neurokinin-2 receptor. J Med Chem, Volume 53 (10), 2010";ChEMBL
MM475168;MM475168;O=C(NC1(C(=O)NC(CCCN2CCN(CC3CCOCC3)CC2)Cc2ccccc2)CCCC1)c1cc2ccccc2s1;IFLAJVCAIZJOPG-HKBQPEDESA-N;616.87;5.5;46236387;;;CHEMBL1083849;CACO;ECACO;25;0;"from A to B, <a href=https://www.ebi.ac.uk/chembl/assay_report_card/CHEMBL1120422/  target=_blank>CHEMBL1120422</a>";;;;;;;;;-4.96;;;;;;;;;;;;"Fattori D, Porcelloni M, D'Andrea P, Catalioto RM, Ettorre A, Giuliani S, Marastoni E, Mauro S, Meini S, Rossi C, Altamura M, Maggi CA.: Structure-activity relationships of 6-methyl-benzo[b]thiophene-2-carboxylic acid (1-[(S)-1-benzyl-4-[4-(tetrahydropyran-4-ylmethyl)piperazin-1-yl]butylcarbamoyl]cyclopentyl)amide, potent antagonist of the neurokinin-2 receptor. J Med Chem, Volume 53 (10), 2010";ChEMBL
MM475169;MM475169;Cc1ccc2cc(C(=O)NC3(C(=O)NC(CCCN4CCN(CC5CCOCC5)CC4)Cc4ccccc4)CCCC3)sc2c1;MYXKMTKFUPOTOZ-YTTGMZPUSA-N;630.9;5.8;11433617;;;CHEMBL1083850;CACO;ECACO;25;0;"from A to B, <a href=https://www.ebi.ac.uk/chembl/assay_report_card/CHEMBL1120422/  target=_blank>CHEMBL1120422</a>";;;;;;;;;-4.95;;;;;;;;;;;;"Fattori D, Porcelloni M, D'Andrea P, Catalioto RM, Ettorre A, Giuliani S, Marastoni E, Mauro S, Meini S, Rossi C, Altamura M, Maggi CA.: Structure-activity relationships of 6-methyl-benzo[b]thiophene-2-carboxylic acid (1-[(S)-1-benzyl-4-[4-(tetrahydropyran-4-ylmethyl)piperazin-1-yl]butylcarbamoyl]cyclopentyl)amide, potent antagonist of the neurokinin-2 receptor. J Med Chem, Volume 53 (10), 2010";ChEMBL
MM475171;MM475171;O=C(NC1(C(=O)NC(CCCN2CCN(CC3CCOCC3)CC2)Cc2ccccc2)CCCC1)c1cc2ccccc2o1;FOXUTIZHAYSOSZ-HKBQPEDESA-N;600.8;5.03;46238091;;;CHEMBL1084765;CACO;ECACO;25;0;"from A to B, <a href=https://www.ebi.ac.uk/chembl/assay_report_card/CHEMBL1120422/  target=_blank>CHEMBL1120422</a>";;;;;;;;;-4.69;;;;;;;;;;;;"Fattori D, Porcelloni M, D'Andrea P, Catalioto RM, Ettorre A, Giuliani S, Marastoni E, Mauro S, Meini S, Rossi C, Altamura M, Maggi CA.: Structure-activity relationships of 6-methyl-benzo[b]thiophene-2-carboxylic acid (1-[(S)-1-benzyl-4-[4-(tetrahydropyran-4-ylmethyl)piperazin-1-yl]butylcarbamoyl]cyclopentyl)amide, potent antagonist of the neurokinin-2 receptor. J Med Chem, Volume 53 (10), 2010";ChEMBL
MM475172;MM475172;N#Cc1cnc(NCC(F)(F)c2ccccc2)c(=O)n1CC(=O)NCCON=C(N)N;;434.41;-0.15;45103523;;;CHEMBL1084908;CACO;ECACO;25;0;"from A to B, <a href=https://www.ebi.ac.uk/chembl/assay_report_card/CHEMBL1100522/  target=_blank>CHEMBL1100522</a>";;;;;;;;;-6.3;;;;;;;;;;;;"Lu T, Markotan T, Ballentine SK, Giardino EC, Spurlino J, Crysler CS, Brown K, Maryanoff BE, Tomczuk BE, Damiano BP, Shukla U, End D, Andrade-Gordon P, Bone RF, Player MR.: Discovery and clinical evaluation of 1-{N-[2-(amidinoaminooxy)ethyl]amino}carbonylmethyl-6-methyl-3-[2,2-difluoro-2-phenylethylamino]pyrazinone (RWJ-671818), a thrombin inhibitor with an oxyguanidine P1 motif. J Med Chem, Volume 53 (4), 2010";ChEMBL
MM473078;MM473078;NS(=O)(=O)c1ccc(Nc2nccc(-c3ccsc3)n2)cc1;JUIXZPWSSOKEIF-UHFFFAOYSA-N;332.41;2.6;46890318;;;CHEMBL1084970;CACO;ECACO;25;0;"from A to B, <a href=https://www.ebi.ac.uk/chembl/assay_report_card/CHEMBL1120485/  target=_blank>CHEMBL1120485</a>";;;;;;;;;-4.28;;;;;;;;;;;;"Crombie AL, Sum FW, Powell DW, Hopper DW, Torres N, Berger DM, Zhang Y, Gavriil M, Sadler TM, Arndt K.: Synthesis and biological evaluation of tricyclic anilinopyrimidines as IKKbeta inhibitors. Bioorg Med Chem Lett, Volume 20 (12), 2010";ChEMBL
MM475173;MM475173;CNC(=O)N1CCC(CN2CC(c3ccccc3)N(C3CCN(C4(C)CCN(C(=O)c5c(C)cc(C#N)nc5C)CC4)CC3)C2=O)CC1;JIJRESHTPMIRAN-YTTGMZPUSA-N;654.86;4.56;46890340;;;CHEMBL1085217;CACO;ECACO;25;0;"from A to B, <a href=https://www.ebi.ac.uk/chembl/assay_report_card/CHEMBL1119778/  target=_blank>CHEMBL1119778</a>";;;;;;;;;-6.15;;;;;;;;;;;;"Rotstein DM, Gabriel SD, Manser N, Filonova L, Padilla F, Sankuratri S, Ji C, deRosier A, Dioszegi M, Heilek G, Jekle A, Weller P, Berry P.: Synthesis, SAR and evaluation of [1,4']-bipiperidinyl-4-yl-imidazolidin-2-one derivatives as novel CCR5 antagonists. Bioorg Med Chem Lett, Volume 20 (11), 2010";ChEMBL
MM475174;MM475174;Cc1ncnc(C)c1C(=O)N1CCC(C)(N2CCC(N3C(=O)N(C4CCOCC4)CC3c3ccccc3)CC2)CC1;CAXOWROVDBCIRL-NDEPHWFRSA-N;560.74;4.21;25206069;;;CHEMBL1085218;CACO;ECACO;25;0;"from A to B, <a href=https://www.ebi.ac.uk/chembl/assay_report_card/CHEMBL1119778/  target=_blank>CHEMBL1119778</a>";;;;;;;;;-6.22;;;;;;;;;;;;"Rotstein DM, Gabriel SD, Manser N, Filonova L, Padilla F, Sankuratri S, Ji C, deRosier A, Dioszegi M, Heilek G, Jekle A, Weller P, Berry P.: Synthesis, SAR and evaluation of [1,4']-bipiperidinyl-4-yl-imidazolidin-2-one derivatives as novel CCR5 antagonists. Bioorg Med Chem Lett, Volume 20 (11), 2010";ChEMBL
MM475175;MM475175;COC(=O)N1CCC(CN2CC(c3ccccc3)N(C3CCN(C4(C)CCN(C(=O)c5c(C)ncnc5C)CC4)CC3)C2=O)CC1;HMSKCYWJITUINI-PMERELPUSA-N;631.82;4.51;25206071;;;CHEMBL1085219;CACO;ECACO;25;0;"from A to B, <a href=https://www.ebi.ac.uk/chembl/assay_report_card/CHEMBL1119778/  target=_blank>CHEMBL1119778</a>";;;;;;;;;-6.52;;;;;;;;;;;;"Rotstein DM, Gabriel SD, Manser N, Filonova L, Padilla F, Sankuratri S, Ji C, deRosier A, Dioszegi M, Heilek G, Jekle A, Weller P, Berry P.: Synthesis, SAR and evaluation of [1,4']-bipiperidinyl-4-yl-imidazolidin-2-one derivatives as novel CCR5 antagonists. Bioorg Med Chem Lett, Volume 20 (11), 2010";ChEMBL
MM475176;MM475176;Cc1ncnc(C)c1C(=O)N1CCC(C)(N2CCC(N3C(=O)N(CC4CCN(S(C)(=O)=O)CC4)CC3c3ccccc3)CC2)CC1;BFXOQLCQTRNAKB-PMERELPUSA-N;651.88;3.7;25206227;;;CHEMBL1085220;CACO;ECACO;25;0;"from A to B, <a href=https://www.ebi.ac.uk/chembl/assay_report_card/CHEMBL1119778/  target=_blank>CHEMBL1119778</a>";;;;;;;;;-6.7;;;;;;;;;;;;"Rotstein DM, Gabriel SD, Manser N, Filonova L, Padilla F, Sankuratri S, Ji C, deRosier A, Dioszegi M, Heilek G, Jekle A, Weller P, Berry P.: Synthesis, SAR and evaluation of [1,4']-bipiperidinyl-4-yl-imidazolidin-2-one derivatives as novel CCR5 antagonists. Bioorg Med Chem Lett, Volume 20 (11), 2010";ChEMBL
MM475177;MM475177;CNC(=O)N1CCC(CN2CC(c3ccccc3)N(C3CCN(C4(C)CCN(C(=O)c5c(C)ncnc5C)CC4)CC3)C2=O)CC1;PEYUSKSYYONOAP-PMERELPUSA-N;630.84;4.08;25206397;;;CHEMBL1085221;CACO;ECACO;25;0;"from A to B, <a href=https://www.ebi.ac.uk/chembl/assay_report_card/CHEMBL1119778/  target=_blank>CHEMBL1119778</a>";;;;;;;;;-7;;;;;;;;;;;;"Rotstein DM, Gabriel SD, Manser N, Filonova L, Padilla F, Sankuratri S, Ji C, deRosier A, Dioszegi M, Heilek G, Jekle A, Weller P, Berry P.: Synthesis, SAR and evaluation of [1,4']-bipiperidinyl-4-yl-imidazolidin-2-one derivatives as novel CCR5 antagonists. Bioorg Med Chem Lett, Volume 20 (11), 2010";ChEMBL
MM475178;MM475178;COC1CCC(CN2CC(c3ccccc3)N(C3CCN(C4(C)CCN(C(=O)c5c(C)ncnc5C)CC4)CC3)C2=O)CC1;NJZLCVZALWTNEZ-NAYUSWPISA-N;602.82;5.24;46890341;;;CHEMBL1085222;CACO;ECACO;25;0;"from A to B, <a href=https://www.ebi.ac.uk/chembl/assay_report_card/CHEMBL1119778/  target=_blank>CHEMBL1119778</a>";;;;;;;;;-5.85;;;;;;;;;;;;"Rotstein DM, Gabriel SD, Manser N, Filonova L, Padilla F, Sankuratri S, Ji C, deRosier A, Dioszegi M, Heilek G, Jekle A, Weller P, Berry P.: Synthesis, SAR and evaluation of [1,4']-bipiperidinyl-4-yl-imidazolidin-2-one derivatives as novel CCR5 antagonists. Bioorg Med Chem Lett, Volume 20 (11), 2010";ChEMBL
MM475179;MM475179;CCOC1CCC(CN2CC(c3ccccc3)N(C3CCN(C4(C)CCN(C(=O)c5c(C)ncnc5C)CC4)CC3)C2=O)CC1;XDWQGHWYCJPLGB-MHDHXZMLSA-N;616.85;5.63;25205923;;;CHEMBL1085223;CACO;ECACO;25;0;"from A to B, <a href=https://www.ebi.ac.uk/chembl/assay_report_card/CHEMBL1119778/  target=_blank>CHEMBL1119778</a>";;;;;;;;;-5.52;;;;;;;;;;;;"Rotstein DM, Gabriel SD, Manser N, Filonova L, Padilla F, Sankuratri S, Ji C, deRosier A, Dioszegi M, Heilek G, Jekle A, Weller P, Berry P.: Synthesis, SAR and evaluation of [1,4']-bipiperidinyl-4-yl-imidazolidin-2-one derivatives as novel CCR5 antagonists. Bioorg Med Chem Lett, Volume 20 (11), 2010";ChEMBL
MM475180;MM475180;Cc1ncnc(C)c1C(=O)N1CCC(C)(N2CCC(N3C(=O)N(CC4CCC(O)CC4)CC3c3ccccc3)CC2)CC1;QIFLDOWZTQMVPY-NSGJQZOKSA-N;588.8;4.58;46890342;;;CHEMBL1085224;CACO;ECACO;25;0;"from A to B, <a href=https://www.ebi.ac.uk/chembl/assay_report_card/CHEMBL1119778/  target=_blank>CHEMBL1119778</a>";;;;;;;;;-6.7;;;;;;;;;;;;"Rotstein DM, Gabriel SD, Manser N, Filonova L, Padilla F, Sankuratri S, Ji C, deRosier A, Dioszegi M, Heilek G, Jekle A, Weller P, Berry P.: Synthesis, SAR and evaluation of [1,4']-bipiperidinyl-4-yl-imidazolidin-2-one derivatives as novel CCR5 antagonists. Bioorg Med Chem Lett, Volume 20 (11), 2010";ChEMBL
MM475181;MM475181;Cc1cc(C#N)nc(C)c1C(=O)N1CCC(C)(N2CCC(N3C(=O)N(CC4CCOCC4)CC3c3ccccc3)CC2)CC1;VCDAYNSEVSLHGF-HKBQPEDESA-N;598.79;4.93;25205767;;;CHEMBL1085225;CACO;ECACO;25;0;"from A to B, <a href=https://www.ebi.ac.uk/chembl/assay_report_card/CHEMBL1119778/  target=_blank>CHEMBL1119778</a>";;;;;;;;;-6;;;;;;;;;;;;"Rotstein DM, Gabriel SD, Manser N, Filonova L, Padilla F, Sankuratri S, Ji C, deRosier A, Dioszegi M, Heilek G, Jekle A, Weller P, Berry P.: Synthesis, SAR and evaluation of [1,4']-bipiperidinyl-4-yl-imidazolidin-2-one derivatives as novel CCR5 antagonists. Bioorg Med Chem Lett, Volume 20 (11), 2010";ChEMBL
MM475182;MM475182;Cc1ncnc(C)c1C(=O)N1CCC(C)(N2CCC(N3C(=O)N(CCC4CCOCC4)CC3c3ccccc3)CC2)CC1;FGJLSESRUCPLFO-PMERELPUSA-N;588.8;4.85;46890343;;;CHEMBL1085226;CACO;ECACO;25;0;"from A to B, <a href=https://www.ebi.ac.uk/chembl/assay_report_card/CHEMBL1119778/  target=_blank>CHEMBL1119778</a>";;;;;;;;;-6.1;;;;;;;;;;;;"Rotstein DM, Gabriel SD, Manser N, Filonova L, Padilla F, Sankuratri S, Ji C, deRosier A, Dioszegi M, Heilek G, Jekle A, Weller P, Berry P.: Synthesis, SAR and evaluation of [1,4']-bipiperidinyl-4-yl-imidazolidin-2-one derivatives as novel CCR5 antagonists. Bioorg Med Chem Lett, Volume 20 (11), 2010";ChEMBL
MM475183;MM475183;Cc1ncnc(C)c1C(=O)N1CCC(C)(N2CCC(N3C(=O)N(CC4CCOCC4)CC3c3ccccc3)CC2)CC1;LEIJVPCQIOHXMZ-LJAQVGFWSA-N;574.77;4.46;25205921;;;CHEMBL1085228;CACO;ECACO;25;0;"from A to B, <a href=https://www.ebi.ac.uk/chembl/assay_report_card/CHEMBL1119778/  target=_blank>CHEMBL1119778</a>";;;;;;;;;-6.3;;;;;;;;;;;;"Rotstein DM, Gabriel SD, Manser N, Filonova L, Padilla F, Sankuratri S, Ji C, deRosier A, Dioszegi M, Heilek G, Jekle A, Weller P, Berry P.: Synthesis, SAR and evaluation of [1,4']-bipiperidinyl-4-yl-imidazolidin-2-one derivatives as novel CCR5 antagonists. Bioorg Med Chem Lett, Volume 20 (11), 2010";ChEMBL
MM475184;MM475184;Cc1cc(C#N)nc(C)c1C(=O)N1CCC(C)(N2CCC(N3C(=O)N(C4CCOCC4)CC3c3ccccc3)CC2)CC1;CAWUSVSAJWVLIE-PMERELPUSA-N;584.77;4.69;25206070;;;CHEMBL1085231;CACO;ECACO;25;0;"from A to B, <a href=https://www.ebi.ac.uk/chembl/assay_report_card/CHEMBL1119778/  target=_blank>CHEMBL1119778</a>";;;;;;;;;-6;;;;;;;;;;;;"Rotstein DM, Gabriel SD, Manser N, Filonova L, Padilla F, Sankuratri S, Ji C, deRosier A, Dioszegi M, Heilek G, Jekle A, Weller P, Berry P.: Synthesis, SAR and evaluation of [1,4']-bipiperidinyl-4-yl-imidazolidin-2-one derivatives as novel CCR5 antagonists. Bioorg Med Chem Lett, Volume 20 (11), 2010";ChEMBL
MM475185;MM475185;Cc1cc(C#N)nc(C)c1C(=O)N1CCC(C)(N2CCC(N3C(=O)N(CC4CCC(O)CC4)CC3c3ccccc3)CC2)CC1;IAGCLSUYXYTYDJ-GFLPGQDNSA-N;612.82;5.06;46890346;;;CHEMBL1085232;CACO;ECACO;25;0;"from A to B, <a href=https://www.ebi.ac.uk/chembl/assay_report_card/CHEMBL1119778/  target=_blank>CHEMBL1119778</a>";;;;;;;;;-6.4;;;;;;;;;;;;"Rotstein DM, Gabriel SD, Manser N, Filonova L, Padilla F, Sankuratri S, Ji C, deRosier A, Dioszegi M, Heilek G, Jekle A, Weller P, Berry P.: Synthesis, SAR and evaluation of [1,4']-bipiperidinyl-4-yl-imidazolidin-2-one derivatives as novel CCR5 antagonists. Bioorg Med Chem Lett, Volume 20 (11), 2010";ChEMBL
MM473079;MM473079;NS(=O)(=O)c1ccc(Nc2ncc3c(n2)-c2ccsc2CC3)cc1;MTDWGYRUUAGIEQ-UHFFFAOYSA-N;358.45;2.69;46890319;;;CHEMBL1085654;CACO;ECACO;25;0;"from A to B, <a href=https://www.ebi.ac.uk/chembl/assay_report_card/CHEMBL1120485/  target=_blank>CHEMBL1120485</a>";;;;;;;;;-4.47;;;;;;;;;;;;"Crombie AL, Sum FW, Powell DW, Hopper DW, Torres N, Berger DM, Zhang Y, Gavriil M, Sadler TM, Arndt K.: Synthesis and biological evaluation of tricyclic anilinopyrimidines as IKKbeta inhibitors. Bioorg Med Chem Lett, Volume 20 (12), 2010";ChEMBL
MM475186;MM475186;Cc1cc(C#N)nc(C)c1C(=O)N1CCC(C)(N2CCC(N3C(=O)N(CC4CCOCC4)CC3c3ccccn3)CC2)CC1;MTYIHUHFILXRRS-SSEXGKCCSA-N;599.78;4.33;46890428;;;CHEMBL1085721;CACO;ECACO;25;0;"from A to B, <a href=https://www.ebi.ac.uk/chembl/assay_report_card/CHEMBL1119778/  target=_blank>CHEMBL1119778</a>";;;;;;;;;-7;;;;;;;;;;;;"Rotstein DM, Gabriel SD, Manser N, Filonova L, Padilla F, Sankuratri S, Ji C, deRosier A, Dioszegi M, Heilek G, Jekle A, Weller P, Berry P.: Synthesis, SAR and evaluation of [1,4']-bipiperidinyl-4-yl-imidazolidin-2-one derivatives as novel CCR5 antagonists. Bioorg Med Chem Lett, Volume 20 (11), 2010";ChEMBL
MM475187;MM475187;CCOC1CCC(CN2CC(c3ccccn3)N(C3CCN(C4(C)CCN(C(=O)c5c(C)cc(C#N)nc5C)CC4)CC3)C2=O)CC1;SWLYMHKXSNTLKZ-INJYMACJSA-N;641.86;5.5;46890429;;;CHEMBL1085722;CACO;ECACO;25;0;"from A to B, <a href=https://www.ebi.ac.uk/chembl/assay_report_card/CHEMBL1119778/  target=_blank>CHEMBL1119778</a>";;;;;;;;;-6.3;;;;;;;;;;;;"Rotstein DM, Gabriel SD, Manser N, Filonova L, Padilla F, Sankuratri S, Ji C, deRosier A, Dioszegi M, Heilek G, Jekle A, Weller P, Berry P.: Synthesis, SAR and evaluation of [1,4']-bipiperidinyl-4-yl-imidazolidin-2-one derivatives as novel CCR5 antagonists. Bioorg Med Chem Lett, Volume 20 (11), 2010";ChEMBL
MM475188;MM475188;CCCCC1CN(C2CCOCC2)C(=O)N1C1CCN(C2(C)CCN(C(=O)c3c(C)cc(C#N)nc3C)CC2)CC1;QHLYRYUVLUPASE-UHFFFAOYSA-N;564.78;4.5;25205600;;;CHEMBL1085723;CACO;ECACO;25;0;"from A to B, <a href=https://www.ebi.ac.uk/chembl/assay_report_card/CHEMBL1119778/  target=_blank>CHEMBL1119778</a>";;;;;;;;;-6;;;;;;;;;;;;"Rotstein DM, Gabriel SD, Manser N, Filonova L, Padilla F, Sankuratri S, Ji C, deRosier A, Dioszegi M, Heilek G, Jekle A, Weller P, Berry P.: Synthesis, SAR and evaluation of [1,4']-bipiperidinyl-4-yl-imidazolidin-2-one derivatives as novel CCR5 antagonists. Bioorg Med Chem Lett, Volume 20 (11), 2010";ChEMBL
MM475189;MM475189;COc1ccc(CCNc2ncc(C)n(CC(=O)NCCON=C(N)N)c2=O)cc1OC;;447.5;-0.25;18671891;;;CHEMBL1086402;CACO;ECACO;25;0;"from A to B, <a href=https://www.ebi.ac.uk/chembl/assay_report_card/CHEMBL1100522/  target=_blank>CHEMBL1100522</a>";;;;;;;;;-6.06;;;;;;;;;;;;"Lu T, Markotan T, Ballentine SK, Giardino EC, Spurlino J, Crysler CS, Brown K, Maryanoff BE, Tomczuk BE, Damiano BP, Shukla U, End D, Andrade-Gordon P, Bone RF, Player MR.: Discovery and clinical evaluation of 1-{N-[2-(amidinoaminooxy)ethyl]amino}carbonylmethyl-6-methyl-3-[2,2-difluoro-2-phenylethylamino]pyrazinone (RWJ-671818), a thrombin inhibitor with an oxyguanidine P1 motif. J Med Chem, Volume 53 (4), 2010";ChEMBL
MM475190;MM475190;Cc1cnc(NCCc2cccc3ccccc23)c(=O)n1CC(=O)NCCON=C(N)N;;437.5;0.89;9954757;;;CHEMBL1087037;CACO;ECACO;25;0;"from A to B, <a href=https://www.ebi.ac.uk/chembl/assay_report_card/CHEMBL1100522/  target=_blank>CHEMBL1100522</a>";;;;;;;;;-6.49;;;;;;;;;;;;"Lu T, Markotan T, Ballentine SK, Giardino EC, Spurlino J, Crysler CS, Brown K, Maryanoff BE, Tomczuk BE, Damiano BP, Shukla U, End D, Andrade-Gordon P, Bone RF, Player MR.: Discovery and clinical evaluation of 1-{N-[2-(amidinoaminooxy)ethyl]amino}carbonylmethyl-6-methyl-3-[2,2-difluoro-2-phenylethylamino]pyrazinone (RWJ-671818), a thrombin inhibitor with an oxyguanidine P1 motif. J Med Chem, Volume 53 (4), 2010";ChEMBL
MM475191;MM475191;Cc1cnc(NCC(c2ccccc2)c2ccccc2)c(=O)n1CC(=O)NCCON=C(N)N;;463.54;1.33;9890583;;;CHEMBL1087038;CACO;ECACO;25;0;"from A to B, <a href=https://www.ebi.ac.uk/chembl/assay_report_card/CHEMBL1100522/  target=_blank>CHEMBL1100522</a>";;;;;;;;;-6.85;;;;;;;;;;;;"Lu T, Markotan T, Ballentine SK, Giardino EC, Spurlino J, Crysler CS, Brown K, Maryanoff BE, Tomczuk BE, Damiano BP, Shukla U, End D, Andrade-Gordon P, Bone RF, Player MR.: Discovery and clinical evaluation of 1-{N-[2-(amidinoaminooxy)ethyl]amino}carbonylmethyl-6-methyl-3-[2,2-difluoro-2-phenylethylamino]pyrazinone (RWJ-671818), a thrombin inhibitor with an oxyguanidine P1 motif. J Med Chem, Volume 53 (4), 2010";ChEMBL
MM475192;MM475192;CCCC1(C(=O)O)OCCc2c1[nH]c1c(C)ccc(C#N)c21;;298.34;3;46889262;;;CHEMBL1087093;CACO;ECACO;25;0;"from A to B, <a href=https://www.ebi.ac.uk/chembl/assay_report_card/CHEMBL1109067/  target=_blank>CHEMBL1109067</a>";;;;;;;;;-5.49;;;;;;;;;;;;"LaPorte MG, Draper TL, Miller LE, Blackledge CW, Leister LK, Amparo E, Hussey AR, Young DC, Chunduru SK, Benetatos CA, Rhodes G, Gopalsamy A, Herbertz T, Burns CJ, Condon SM.: The discovery and structure-activity relationships of pyrano[3,4-b]indole based inhibitors of hepatitis C virus NS5B polymerase. Bioorg Med Chem Lett, Volume 20 (9), 2010";ChEMBL
MM475194;MM475194;CCc1ccc(CCNc2ncc(C)n(CC(=O)NCCON=C(N)N)c2=O)cc1;;415.5;0.3;18671918;;;CHEMBL1087669;CACO;ECACO;25;0;"from A to B, <a href=https://www.ebi.ac.uk/chembl/assay_report_card/CHEMBL1100522/  target=_blank>CHEMBL1100522</a>";;;;;;;;;-6.54;;;;;;;;;;;;"Lu T, Markotan T, Ballentine SK, Giardino EC, Spurlino J, Crysler CS, Brown K, Maryanoff BE, Tomczuk BE, Damiano BP, Shukla U, End D, Andrade-Gordon P, Bone RF, Player MR.: Discovery and clinical evaluation of 1-{N-[2-(amidinoaminooxy)ethyl]amino}carbonylmethyl-6-methyl-3-[2,2-difluoro-2-phenylethylamino]pyrazinone (RWJ-671818), a thrombin inhibitor with an oxyguanidine P1 motif. J Med Chem, Volume 53 (4), 2010";ChEMBL
MM475195;MM475195;Cc1cnc(NCCc2ccc3c(c2)CCC3)c(=O)n1CC(=O)NCCON=C(N)N;;427.51;0.23;9823849;;;CHEMBL1087670;CACO;ECACO;25;0;"from A to B, <a href=https://www.ebi.ac.uk/chembl/assay_report_card/CHEMBL1100522/  target=_blank>CHEMBL1100522</a>";;;;;;;;;-6.17;;;;;;;;;;;;"Lu T, Markotan T, Ballentine SK, Giardino EC, Spurlino J, Crysler CS, Brown K, Maryanoff BE, Tomczuk BE, Damiano BP, Shukla U, End D, Andrade-Gordon P, Bone RF, Player MR.: Discovery and clinical evaluation of 1-{N-[2-(amidinoaminooxy)ethyl]amino}carbonylmethyl-6-methyl-3-[2,2-difluoro-2-phenylethylamino]pyrazinone (RWJ-671818), a thrombin inhibitor with an oxyguanidine P1 motif. J Med Chem, Volume 53 (4), 2010";ChEMBL
MM475196;MM475196;NC(N)=NOCCNC(=O)Cn1c(Cl)cnc(NCC(F)(F)c2ccccc2)c1=O;;443.84;0.63;45103723;;;CHEMBL1088332;CACO;ECACO;25;0;"from A to B, <a href=https://www.ebi.ac.uk/chembl/assay_report_card/CHEMBL1100522/  target=_blank>CHEMBL1100522</a>";;;;;;;;;-6.3;;;;;;;;;;;;"Lu T, Markotan T, Ballentine SK, Giardino EC, Spurlino J, Crysler CS, Brown K, Maryanoff BE, Tomczuk BE, Damiano BP, Shukla U, End D, Andrade-Gordon P, Bone RF, Player MR.: Discovery and clinical evaluation of 1-{N-[2-(amidinoaminooxy)ethyl]amino}carbonylmethyl-6-methyl-3-[2,2-difluoro-2-phenylethylamino]pyrazinone (RWJ-671818), a thrombin inhibitor with an oxyguanidine P1 motif. J Med Chem, Volume 53 (4), 2010";ChEMBL
MM475197;MM475197;CC(C)N(C)C1CCC(N2CC(C)(C)C(NC(=O)c3cccc(C(F)(F)F)c3)C2=O)C(CS(=O)(=O)c2ccccc2)C1;FMQBTPGTROTRJJ-UICHKGEESA-N;607.74;5.02;46886058;;;CHEMBL1088930;CACO;ECACO;25;0;"from A to B, <a href=https://www.ebi.ac.uk/chembl/assay_report_card/CHEMBL1104434/  target=_blank>CHEMBL1104434</a>";;;;;;;;;-5.82;;;;;;;;;;;;"Cherney RJ, Mo R, Meyer DT, Voss ME, Yang MG, Santella JB, Duncia JV, Lo YC, Yang G, Miller PB, Scherle PA, Zhao Q, Mandlekar S, Cvijic ME, Barrish JC, Decicco CP, Carter PH.: gamma-Lactams as glycinamide replacements in cyclohexane-based CC chemokine receptor 2 (CCR2) antagonists. Bioorg Med Chem Lett, Volume 20 (8), 2010";ChEMBL
MM475198;MM475198;Cc1ccc(C(=O)NC2CC2)cc1-c1cc2cnn(-c3c(F)cccc3F)c2n(C)c1=O;;434.45;3.87;25052767;;;CHEMBL1089865;CACO;ECACO;25;0;"from A to B, <a href=https://www.ebi.ac.uk/chembl/assay_report_card/CHEMBL1104506/  target=_blank>CHEMBL1104506</a>";;;;;;;;;-4.57;;;;;;;;;;;;"Pettus LH, Wurz RP, Xu S, Herberich B, Henkle B, Liu Q, McBride HJ, Mu S, Plant MH, Saris CJ, Sherman L, Wong LM, Chmait S, Lee MR, Mohr C, Hsieh F, Tasker AS.: Discovery and evaluation of 7-alkyl-1,5-bis-aryl-pyrazolopyridinones as highly potent, selective, and orally efficacious inhibitors of p38alpha mitogen-activated protein kinase. J Med Chem, Volume 53 (7), 2010";ChEMBL
MM475199;MM475199;Nc1ncnc2c1ncn2[C@@H]1O[C@H](CO)[C@@H](O)[C@@H]1O;OIRDTQYFTABQOQ-UHTZMRCNSA-N;267.25;-1.98;;;;;CACO;ECACO;25;0;"from A to B, <a href=https://www.ebi.ac.uk/chembl/assay_report_card/CHEMBL942586/  target=_blank>CHEMBL942586</a>";;;;;;;;;-7.08;;;;;;;;;;;;"Shen W, Kim JS, Kish PE, Zhang J, Mitchell S, Gentry BG, Breitenbach JM, Drach JC, Hilfinger J.: Design and synthesis of vidarabine prodrugs as antiviral agents. Bioorg Med Chem Lett, Volume 19 (3), 2009";ChEMBL
MM475201;MM475201;CC(C)N(C)C1CCC(N2C(=O)CC(NC(=O)c3cccc(C(F)(F)F)c3)C2=O)C(CS(=O)(=O)c2ccccc2)C1;MNJLHCYPHRHQLE-OZTAZYLFSA-N;593.67;3.91;46886061;;;CHEMBL1090562;CACO;ECACO;25;0;"from A to B, <a href=https://www.ebi.ac.uk/chembl/assay_report_card/CHEMBL1104434/  target=_blank>CHEMBL1104434</a>";;;;;;;;;-5.66;;;;;;;;;;;;"Cherney RJ, Mo R, Meyer DT, Voss ME, Yang MG, Santella JB, Duncia JV, Lo YC, Yang G, Miller PB, Scherle PA, Zhao Q, Mandlekar S, Cvijic ME, Barrish JC, Decicco CP, Carter PH.: gamma-Lactams as glycinamide replacements in cyclohexane-based CC chemokine receptor 2 (CCR2) antagonists. Bioorg Med Chem Lett, Volume 20 (8), 2010";ChEMBL
MM475202;MM475202;O=C(NC(CC=Cc1ccccc1)C(=O)O)c1ccc2ccccc2c1;;345.4;4.13;45100499;;;CHEMBL1090714;CACO;ECACO;25;0;"from A to B, <a href=https://www.ebi.ac.uk/chembl/assay_report_card/CHEMBL1109792/  target=_blank>CHEMBL1109792</a>";;;;;;;;;-5.53;;;;;;;;;;;;"Dong L, Marakovits J, Hou X, Guo C, Greasley S, Dagostino E, Ferre R, Johnson MC, Kraynov E, Thomson J, Pathak V, Murray BW.: Structure-based design of novel human Pin1 inhibitors (II). Bioorg Med Chem Lett, Volume 20 (7), 2010";ChEMBL
MM475203;MM475203;Cc1ccc(C(=O)NC2CC2)cc1-c1cc2cnn(-c3ccc(F)cc3F)c2n(C)c1=O;;434.45;3.87;25118220;;;CHEMBL1091199;CACO;ECACO;25;0;"from A to B, <a href=https://www.ebi.ac.uk/chembl/assay_report_card/CHEMBL1104506/  target=_blank>CHEMBL1104506</a>";;;;;;;;;-4.7;;;;;;;;;;;;"Pettus LH, Wurz RP, Xu S, Herberich B, Henkle B, Liu Q, McBride HJ, Mu S, Plant MH, Saris CJ, Sherman L, Wong LM, Chmait S, Lee MR, Mohr C, Hsieh F, Tasker AS.: Discovery and evaluation of 7-alkyl-1,5-bis-aryl-pyrazolopyridinones as highly potent, selective, and orally efficacious inhibitors of p38alpha mitogen-activated protein kinase. J Med Chem, Volume 53 (7), 2010";ChEMBL
MM475204;MM475204;Cn1c(=O)c(-c2cc(C(=O)NC3CC3)ccc2Cl)cc2cnn(-c3c(F)cccc3F)c21;;454.86;4.22;25119291;;;CHEMBL1091928;CACO;ECACO;25;0;"from A to B, <a href=https://www.ebi.ac.uk/chembl/assay_report_card/CHEMBL1104506/  target=_blank>CHEMBL1104506</a>";;;;;;;;;-4.6;;;;;;;;;;;;"Pettus LH, Wurz RP, Xu S, Herberich B, Henkle B, Liu Q, McBride HJ, Mu S, Plant MH, Saris CJ, Sherman L, Wong LM, Chmait S, Lee MR, Mohr C, Hsieh F, Tasker AS.: Discovery and evaluation of 7-alkyl-1,5-bis-aryl-pyrazolopyridinones as highly potent, selective, and orally efficacious inhibitors of p38alpha mitogen-activated protein kinase. J Med Chem, Volume 53 (7), 2010";ChEMBL
MM475208;MM475208;CSc1ccc(S(=O)(=O)C[C@@H]2C[C@H](N(C)C(C)C)CC[C@@H]2N2CCC(C)(NC(=O)c3cccc(C(F)(F)F)c3)C2=O)cc1;XPXVRXYTAFCHFC-YFTHUZBXSA-N;639.81;5.5;;;;;CACO;ECACO;25;0;"from A to B, <a href=https://www.ebi.ac.uk/chembl/assay_report_card/CHEMBL1104434/  target=_blank>CHEMBL1104434</a>";;;;;;;;;-5.82;;;;;;;;;;;;"Cherney RJ, Mo R, Meyer DT, Voss ME, Yang MG, Santella JB, Duncia JV, Lo YC, Yang G, Miller PB, Scherle PA, Zhao Q, Mandlekar S, Cvijic ME, Barrish JC, Decicco CP, Carter PH.: gamma-Lactams as glycinamide replacements in cyclohexane-based CC chemokine receptor 2 (CCR2) antagonists. Bioorg Med Chem Lett, Volume 20 (8), 2010";ChEMBL
MM475212;MM475212;Cc1ncnc(C)c1C(=O)N1CC2CN(CCC(NC(=O)C3CCCC3)c3ccccc3)CC2C1;NOQUFNXYRUTQRV-GVAUOCQISA-N;475.64;3.54;46888563;;;CHEMBL1095517;CACO;ECACO;25;0;"from A to B, <a href=https://www.ebi.ac.uk/chembl/assay_report_card/CHEMBL1106477/  target=_blank>CHEMBL1106477</a>";;;;;;;;;-5.89;;;;;;;;;;;;"Rotstein DM, Melville CR, Padilla F, Cournoyer D, Lee EK, Lemoine R, Petersen AC, Setti LQ, Wanner J, Chen L, Filonova L, Loughhead DG, Manka J, Lin XF, Gleason S, Sankuratri S, Ji C, Derosier A, Dioszegi M, Heilek G, Jekle A, Berry P, Mau CI, Weller P.: Novel hexahydropyrrolo[3,4-c]pyrrole CCR5 antagonists. Bioorg Med Chem Lett, Volume 20 (10), 2010";ChEMBL
MM475213;MM475213;Cc1cc(=O)[nH]c(C)c1C(=O)N1CC2CN(CCC(NC(=O)C3CCCC3)c3ccccc3)CC2C1;WWQVMNYCPDEQDJ-GVAUOCQISA-N;490.65;3.43;46888564;;;CHEMBL1095518;CACO;ECACO;25;0;"from A to B, <a href=https://www.ebi.ac.uk/chembl/assay_report_card/CHEMBL1106477/  target=_blank>CHEMBL1106477</a>";;;;;;;;;-6.3;;;;;;;;;;;;"Rotstein DM, Melville CR, Padilla F, Cournoyer D, Lee EK, Lemoine R, Petersen AC, Setti LQ, Wanner J, Chen L, Filonova L, Loughhead DG, Manka J, Lin XF, Gleason S, Sankuratri S, Ji C, Derosier A, Dioszegi M, Heilek G, Jekle A, Berry P, Mau CI, Weller P.: Novel hexahydropyrrolo[3,4-c]pyrrole CCR5 antagonists. Bioorg Med Chem Lett, Volume 20 (10), 2010";ChEMBL
MM475214;MM475214;Cc1cc(C#N)nc(C)c1C(=O)N1CC2CN(CCC(NC(=O)C3CCCC3)c3ccccc3)CC2C1;JZDHTZPWSFVURY-WEWMWRJBSA-N;499.66;4.01;46888565;;;CHEMBL1095827;CACO;ECACO;25;0;"from A to B, <a href=https://www.ebi.ac.uk/chembl/assay_report_card/CHEMBL1106477/  target=_blank>CHEMBL1106477</a>";;;;;;;;;-5.52;;;;;;;;;;;;"Rotstein DM, Melville CR, Padilla F, Cournoyer D, Lee EK, Lemoine R, Petersen AC, Setti LQ, Wanner J, Chen L, Filonova L, Loughhead DG, Manka J, Lin XF, Gleason S, Sankuratri S, Ji C, Derosier A, Dioszegi M, Heilek G, Jekle A, Berry P, Mau CI, Weller P.: Novel hexahydropyrrolo[3,4-c]pyrrole CCR5 antagonists. Bioorg Med Chem Lett, Volume 20 (10), 2010";ChEMBL
MM475215;MM475215;Cc1cccc(C)c1C(=O)N1CC2CN(CCC(NC(=O)C3CCCC3)c3ccccc3)CC2C1;KOSURTOZOCPWIN-VJGNERBWSA-N;473.66;4.75;46888453;;;CHEMBL1096445;CACO;ECACO;25;0;"from A to B, <a href=https://www.ebi.ac.uk/chembl/assay_report_card/CHEMBL1106477/  target=_blank>CHEMBL1106477</a>";;;;;;;;;-5.4;;;;;;;;;;;;"Rotstein DM, Melville CR, Padilla F, Cournoyer D, Lee EK, Lemoine R, Petersen AC, Setti LQ, Wanner J, Chen L, Filonova L, Loughhead DG, Manka J, Lin XF, Gleason S, Sankuratri S, Ji C, Derosier A, Dioszegi M, Heilek G, Jekle A, Berry P, Mau CI, Weller P.: Novel hexahydropyrrolo[3,4-c]pyrrole CCR5 antagonists. Bioorg Med Chem Lett, Volume 20 (10), 2010";ChEMBL
MM475216;MM475216;CC(=O)N1CC(Oc2cccc(F)c2)CC1C(=O)N1CCCN(C2CCC2)CC1;;403.5;2.28;44598902;;;CHEMBL1096827;CACO;ECACO;25;0;"from A to B, <a href=https://www.ebi.ac.uk/chembl/assay_report_card/CHEMBL1105788/  target=_blank>CHEMBL1105788</a>";;;;;;;;;-4.86;;;;;;;;;;;;"Stocking EM, Aluisio L, Atack JR, Bonaventure P, Carruthers NI, Dugovic C, Everson A, Fraser I, Jiang X, Leung P, Lord B, Ly KS, Morton KL, Nepomuceno D, Shah CR, Shelton J, Soyode-Johnson A, Letavic MA.: Novel substituted pyrrolidines are high affinity histamine H3 receptor antagonists. Bioorg Med Chem Lett, Volume 20 (9), 2010";ChEMBL
MM475217;MM475217;Cc1ccnc(C)c1C(=O)N1CC2CN(CCC(NC(=O)C3CCCC3)c3ccccc3)CC2C1;IWRAPSCFSVGRAI-NXCFDTQHSA-N;474.65;4.14;46888545;;;CHEMBL1097169;CACO;ECACO;25;0;"from A to B, <a href=https://www.ebi.ac.uk/chembl/assay_report_card/CHEMBL1106477/  target=_blank>CHEMBL1106477</a>";;;;;;;;;-5.4;;;;;;;;;;;;"Rotstein DM, Melville CR, Padilla F, Cournoyer D, Lee EK, Lemoine R, Petersen AC, Setti LQ, Wanner J, Chen L, Filonova L, Loughhead DG, Manka J, Lin XF, Gleason S, Sankuratri S, Ji C, Derosier A, Dioszegi M, Heilek G, Jekle A, Berry P, Mau CI, Weller P.: Novel hexahydropyrrolo[3,4-c]pyrrole CCR5 antagonists. Bioorg Med Chem Lett, Volume 20 (10), 2010";ChEMBL
MM475218;MM475218;Cc1cc[n+]([O-])c(C)c1C(=O)N1C[C@H]2CN(CC[C@H](NC(=O)C3CCCC3)c3ccccc3)C[C@H]2C1;CPBYZXDHZNHBGI-NXCFDTQHSA-N;490.65;3.38;;;;;CACO;ECACO;25;+1,-1;"from A to B, <a href=https://www.ebi.ac.uk/chembl/assay_report_card/CHEMBL1106477/  target=_blank>CHEMBL1106477</a>";;;;;;;;;-7;;;;;;;;;;;;"Rotstein DM, Melville CR, Padilla F, Cournoyer D, Lee EK, Lemoine R, Petersen AC, Setti LQ, Wanner J, Chen L, Filonova L, Loughhead DG, Manka J, Lin XF, Gleason S, Sankuratri S, Ji C, Derosier A, Dioszegi M, Heilek G, Jekle A, Berry P, Mau CI, Weller P.: Novel hexahydropyrrolo[3,4-c]pyrrole CCR5 antagonists. Bioorg Med Chem Lett, Volume 20 (10), 2010";ChEMBL
MM475219;MM475219;COc1cc(C)c(C(=O)N2CC3CN(CCC(NC(=O)C4CCCC4)c4ccccc4)CC3C2)c(C)c1;XAXDOVSBAFYIDI-REUBFRLUSA-N;503.69;4.75;46888526;;;CHEMBL1097816;CACO;ECACO;25;0;"from A to B, <a href=https://www.ebi.ac.uk/chembl/assay_report_card/CHEMBL1106477/  target=_blank>CHEMBL1106477</a>";;;;;;;;;-4.48;;;;;;;;;;;;"Rotstein DM, Melville CR, Padilla F, Cournoyer D, Lee EK, Lemoine R, Petersen AC, Setti LQ, Wanner J, Chen L, Filonova L, Loughhead DG, Manka J, Lin XF, Gleason S, Sankuratri S, Ji C, Derosier A, Dioszegi M, Heilek G, Jekle A, Berry P, Mau CI, Weller P.: Novel hexahydropyrrolo[3,4-c]pyrrole CCR5 antagonists. Bioorg Med Chem Lett, Volume 20 (10), 2010";ChEMBL
Saquinavir;MM00563;CC(C)(C)NC(=O)C1CC2CCCCC2CN1CC(O)C(Cc1ccccc1)NC(=O)C(CC(N)=O)NC(=O)c1ccc2ccccc2n1;QWAXKHKRTORLEM-UHFFFAOYSA-N;670.86;3.09;441243;DB01232;ROC;CHEMBL114;CACO;ECACO;25;0;"from A to B, <a href=https://www.ebi.ac.uk/chembl/assay_report_card/CHEMBL944659/  target=_blank>CHEMBL944659</a>";;;;;;;;;-5.4;;;;;;;;;;;;"Roche D, Greiner J, Aubertin AM, Vierling P.: Synthesis and in vitro biological evaluation of valine-containing prodrugs derived from clinically used HIV-protease inhibitors. Eur J Med Chem, Volume 43 (7), 2008";ChEMBL
MM475226;MM475226;CNCC[C@H](Oc1cccc2ccccc12)c1cccs1;;297.42;4.63;;;;CHEMBL1175;CACO;ECACO;25;0;"from A to B, <a href=https://www.ebi.ac.uk/chembl/assay_report_card/CHEMBL1051054/  target=_blank>CHEMBL1051054</a>";;;;;;;;;-4.82;;;;;;;;;;;;"Lucas MC, Carter DS, Cai HY, Lee EK, Schoenfeld RC, Steiner S, Villa M, Weikert RJ, Iyer PS.: Novel, achiral aminoheterocycles as selective monoamine reuptake inhibitors. Bioorg Med Chem Lett, Volume 19 (16), 2009";ChEMBL
MM475227;MM475227;Cc1nnc(C(C)C)n1[C@@H]1C[C@H]2CC[C@@H](C1)N2CC[C@H](NC(=O)C1CCC(F)(F)CC1)c1ccccc1;;513.68;5.95;;;;CHEMBL1201187;CACO;ECACO;25;0;"from A to B, <a href=https://www.ebi.ac.uk/chembl/assay_report_card/CHEMBL1019466/  target=_blank>CHEMBL1019466</a>";;;;;;;;;-6;;;;;;;;;;;;"Barber CG, Blakemore DC, Chiva JY, Eastwood RL, Middleton DS, Paradowski KA.: 1-Amido-1-phenyl-3-piperidinylbutanes--CCR5 antagonists for the treatment of HIV: part 2. Bioorg Med Chem Lett, Volume 19 (5), 2009";ChEMBL
MM475228;MM475228;CCCN(Cc1ccoc1)C(=O)c1cc(C)cc(OCC2(CON=C(N)N)CC2)c1;RNECCXZBIIYSBX-UHFFFAOYSA-N;414.51;3;44348118;;;CHEMBL121396;CACO;ECACO;25;0;"from A to B, <a href=https://www.ebi.ac.uk/chembl/assay_report_card/CHEMBL934697/  target=_blank>CHEMBL934697</a>";;;;;;;;;-5.39;;;;;;;;;;;;"Kreutter KD, Lu T, Lee L, Giardino EC, Patel S, Huang H, Xu G, Fitzgerald M, Haertlein BJ, Mohan V, Crysler C, Eisennagel S, Dasgupta M, McMillan M, Spurlino JC, Huebert ND, Maryanoff BE, Tomczuk BE, Damiano BP, Player MR.: Orally efficacious thrombin inhibitors with cyanofluorophenylacetamide as the P2 motif. Bioorg Med Chem Lett, Volume 18 (9), 2008";ChEMBL
Prednisolone;MM00297;CC12C=CC(=O)C=C1CCC1C2C(O)CC2(C)C1CCC2(O)C(=O)CO;OIGNJSKKLXVSLS-UHFFFAOYSA-N;360.45;1.56;5755;DB00860;;CHEMBL131;CACO;ECACO;25;0;"from A to B, <a href=https://www.ebi.ac.uk/chembl/assay_report_card/CHEMBL973474/  target=_blank>CHEMBL973474</a>";;;;;;;;;-5.12;;;;;;;;;;;;"Ruiz JF, Radics G, Windle H, Serra HO, Simplício AL, Kedziora K, Fallon PG, Kelleher DP, Gilmer JF.: Design, synthesis, and pharmacological effects of a cyclization-activated steroid prodrug for colon targeting in inflammatory bowel disease. J Med Chem, Volume 52 (10), 2009";ChEMBL
MM472518;MM472518;CCNc1nc(Cl)nc(NC(C)C)n1;;215.69;1.78;;;;CHEMBL15063;CACO;ECACO;25;0;"from A to B, <a href=https://www.ebi.ac.uk/chembl/assay_report_card/CHEMBL905616/  target=_blank>CHEMBL905616</a>";;;;;;;;;-4.39;;;;;;;;;;;;"Fujikawa M, Nakao K, Shimizu R, Akamatsu M.: QSAR study on permeability of hydrophobic compounds with artificial membranes. Bioorg Med Chem, Volume 15 (11), 3756-3767, 2007";ChEMBL
Vinblastine;MM00586;CCC1(O)CC2CN(CCc3c([nH]c4ccccc34)C(C(=O)OC)(c3cc4c(cc3OC)N(C)C3C(O)(C(=O)OC)C(OC(C)=O)C5(CC)C=CCN6CCC43C65)C2)C1;JXLYSJRDGCGARV-UHFFFAOYSA-N;810.99;3.99;241903;DB00570;VLB;CHEMBL22969;CACO;ECACO;25;0;"from A to B, <a href=https://www.ebi.ac.uk/chembl/assay_report_card/CHEMBL967838/  target=_blank>CHEMBL967838</a>";;;;;;;;;-7;;;;;;;;;;;;"Van Voorhis WC, Rivas KL, Bendale P, Nallan L, Hornéy C, Barrett LK, Bauer KD, Smart BP, Ankala S, Hucke O, Verlinde CL, Chakrabarti D, Strickland C, Yokoyama K, Buckner FS, Hamilton AD, Williams DK, Lombardo LJ, Floyd D, Gelb MH.: Efficacy, pharmacokinetics, and metabolism of tetrahydroquinoline inhibitors of Plasmodium falciparum protein farnesyltransferase. Antimicrob Agents Chemother, Volume 51 (10), 2007";ChEMBL
"Cyclosporine A";MM00349;CC=CCC(C)C(O)C1C(=O)NC(CC)C(=O)N(C)CC(=O)N(C)C(CC(C)C)C(=O)NC(C(C)C)C(=O)N(C)C(CC(C)C)C(=O)NC(C)C(=O)NC(C)C(=O)N(C)C(CC(C)C)C(=O)N(C)C(CC(C)C)C(=O)N(C)C(C(C)C)C(=O)N1C;PMATZTZNYRCHOR-UHFFFAOYSA-N;1202.64;3.27;5284373;DB00091;;CHEMBL160;CACO;ECACO;25;0;"from A to B, <a href=https://www.ebi.ac.uk/chembl/assay_report_card/CHEMBL921232/  target=_blank>CHEMBL921232</a>";;;;;;;;;-5.8;;;;;;;;;;;;"Colabufo NA, Berardi F, Cantore M, Perrone MG, Contino M, Inglese C, Niso M, Perrone R, Azzariti A, Simone GM, Porcelli L, Paradiso A.: Small P-gp modulating molecules: SAR studies on tetrahydroisoquinoline derivatives. Bioorg Med Chem, Volume 16 (1), 2008";ChEMBL
"Cyclosporine A";MM00349;CC=CCC(C)C(O)C1C(=O)NC(CC)C(=O)N(C)CC(=O)N(C)C(CC(C)C)C(=O)NC(C(C)C)C(=O)N(C)C(CC(C)C)C(=O)NC(C)C(=O)NC(C)C(=O)N(C)C(CC(C)C)C(=O)N(C)C(CC(C)C)C(=O)N(C)C(C(C)C)C(=O)N1C;PMATZTZNYRCHOR-UHFFFAOYSA-N;1202.64;3.27;5284373;DB00091;;CHEMBL160;CACO;ECACO;25;0;"from A to B, <a href=https://www.ebi.ac.uk/chembl/assay_report_card/CHEMBL923495/  target=_blank>CHEMBL923495</a>";;;;;;;;;-5.8;;;;;;;;;;;;"Colabufo NA, Berardi F, Cantore M, Perrone MG, Contino M, Inglese C, Niso M, Perrone R, Azzariti A, Simone GM, Paradiso A.: 4-Biphenyl and 2-naphthyl substituted 6,7-dimethoxytetrahydroisoquinoline derivatives as potent P-gp modulators. Bioorg Med Chem, Volume 16 (7), 2008";ChEMBL
Digoxin;MM00357;CC1OC(OC2C(O)CC(OC3C(O)CC(OC4CCC5(C)C(CCC6C5CC(O)C5(C)C(C7=CC(=O)OC7)CCC65O)C4)OC3C)OC2C)CC(O)C1O;LTMHDMANZUZIPE-UHFFFAOYSA-N;780.95;2.22;2724385;DB00390;DGX;CHEMBL1751;CACO;ECACO;25;0;"from A to B, <a href=https://www.ebi.ac.uk/chembl/assay_report_card/CHEMBL948483/  target=_blank>CHEMBL948483</a>";;;;;;;;;-6;;;;;;;;;;;;"Dyck B, Tamiya J, Jovic F, Pick RR, Bradbury MJ, O'Brien J, Wen J, Johns M, Madan A, Fleck BA, Foster AC, Li B, Zhang M, Tran JA, Vickers T, Grey J, Saunders J, Chen C.: Characterization of thien-2-yl 1S,2R-milnacipran analogues as potent norepinephrine/serotonin transporter inhibitors for the treatment of neuropathic pain. J Med Chem, Volume 51 (22), 2008";ChEMBL
MM471641;MM471641;CNC(=C[N+](=O)[O-])NCCSCc1ccc(CN(C)C)o1;;314.41;1.46;;;;CHEMBL1790041;CACO;ECACO;25;+1,-1;"from A to B, <a href=https://www.ebi.ac.uk/chembl/assay_report_card/CHEMBL967838/  target=_blank>CHEMBL967838</a>";;;;;;;;;-6.52;;;;;;;;;;;;"Van Voorhis WC, Rivas KL, Bendale P, Nallan L, Hornéy C, Barrett LK, Bauer KD, Smart BP, Ankala S, Hucke O, Verlinde CL, Chakrabarti D, Strickland C, Yokoyama K, Buckner FS, Hamilton AD, Williams DK, Lombardo LJ, Floyd D, Gelb MH.: Efficacy, pharmacokinetics, and metabolism of tetrahydroquinoline inhibitors of Plasmodium falciparum protein farnesyltransferase. Antimicrob Agents Chemother, Volume 51 (10), 2007";ChEMBL
Losartan;MM00665;CCCCc1nc(Cl)c(CO)n1Cc1ccc(-c2ccccc2-c2nn[nH]n2)cc1;PSIFNNKUMBGKDQ-UHFFFAOYSA-N;422.92;4.27;3961;DB00678;LSN;CHEMBL191;CACO;ECACO;25;0;"from A to B, <a href=https://www.ebi.ac.uk/chembl/assay_report_card/CHEMBL908920/  target=_blank>CHEMBL908920</a>";;;;;;;;;-5.94;;;;;;;;;;;;"Cappelli A, Pericot Mohr Gl, Giuliani G, Galeazzi S, Anzini M, Mennuni L, Ferrari F, Makovec F, Kleinrath EM, Langer T, Valoti M, Giorgi G, Vomero S.: Further studies on imidazo[4,5-b]pyridine AT1 angiotensin II receptor antagonists. Effects of the transformation of the 4-phenylquinoline backbone into 4-phenylisoquinolinone or 1-phenylindene scaffolds. J Med Chem, Volume 49 (22), 2006";ChEMBL
Losartan;MM00665;CCCCc1nc(Cl)c(CO)n1Cc1ccc(-c2ccccc2-c2nn[nH]n2)cc1;PSIFNNKUMBGKDQ-UHFFFAOYSA-N;422.92;4.27;3961;DB00678;LSN;CHEMBL191;CACO;ECACO;25;0;"from A to B, <a href=https://www.ebi.ac.uk/chembl/assay_report_card/CHEMBL925711/  target=_blank>CHEMBL925711</a>";;;;;;;;;-5.94;;;;;;;;;;;;"Cappelli A, Nannicini C, Gallelli A, Giuliani G, Valenti S, Mohr Gl, Anzini M, Mennuni L, Ferrari F, Caselli G, Giordani A, Peris W, Makovec F, Giorgi G, Vomero S.: Design, synthesis, and biological evaluation of AT1 angiotensin II receptor antagonists based on the pyrazolo[3,4-b]pyridine and related heteroaromatic bicyclic systems. J Med Chem, Volume 51 (7), 2008";ChEMBL
MM475311;MM475311;Cn1cncc1CN1CC(N(Cc2ccccn2)S(=O)(=O)c2ccccn2)Cc2cc(C#N)ccc21;;499.6;2.9;11271978;;;CHEMBL192244;CACO;ECACO;25;0;"from A to B, <a href=https://www.ebi.ac.uk/chembl/assay_report_card/CHEMBL967838/  target=_blank>CHEMBL967838</a>";;;;;;;;;-5.8;;;;;;;;;;;;"Van Voorhis WC, Rivas KL, Bendale P, Nallan L, Hornéy C, Barrett LK, Bauer KD, Smart BP, Ankala S, Hucke O, Verlinde CL, Chakrabarti D, Strickland C, Yokoyama K, Buckner FS, Hamilton AD, Williams DK, Lombardo LJ, Floyd D, Gelb MH.: Efficacy, pharmacokinetics, and metabolism of tetrahydroquinoline inhibitors of Plasmodium falciparum protein farnesyltransferase. Antimicrob Agents Chemother, Volume 51 (10), 2007";ChEMBL
MM475312;MM475312;CNc1nc2ccc(S(=O)(=O)N(CC(C)C)CC(O)C(Cc3ccccc3)NC(=O)OC3COC4OCCC34)cc2o1;;602.71;2.98;514397;;;CHEMBL193429;CACO;ECACO;25;0;"from A to B, <a href=https://www.ebi.ac.uk/chembl/assay_report_card/CHEMBL836786/  target=_blank>CHEMBL836786</a>";;;;;;;;;-4.75;;;;;;;;;;;;"Surleraux DL, de Kock HA, Verschueren WG, Pille GM, Maes LJ, Peeters A, Vendeville S, De Meyer S, Azijn H, Pauwels R, de Bethune MP, King NM, Prabu-Jeyabalan M, Schiffer CA, Wigerinck PB.: Design of HIV-1 protease inhibitors active on multidrug-resistant virus. J Med Chem, Volume 48 (6), 2005";ChEMBL
MM475313;MM475313;CC(C)CN(CC(O)C(Cc1ccccc1)NC(=O)OC1COC2OCCC12)S(=O)(=O)c1ccc2nc(N)oc2c1;;588.68;2.52;514396;;;CHEMBL193880;CACO;ECACO;25;0;"from A to B, <a href=https://www.ebi.ac.uk/chembl/assay_report_card/CHEMBL836786/  target=_blank>CHEMBL836786</a>";;;;;;;;;-5.42;;;;;;;;;;;;"Surleraux DL, de Kock HA, Verschueren WG, Pille GM, Maes LJ, Peeters A, Vendeville S, De Meyer S, Azijn H, Pauwels R, de Bethune MP, King NM, Prabu-Jeyabalan M, Schiffer CA, Wigerinck PB.: Design of HIV-1 protease inhibitors active on multidrug-resistant virus. J Med Chem, Volume 48 (6), 2005";ChEMBL
MM475314;MM475314;CC(C)CN(CC(O)C(Cc1ccccc1)NC(=O)OC1COC2OCCC12)S(=O)(=O)c1ccc2nc(N)sc2c1;;604.75;2.99;6320570;;;CHEMBL194045;CACO;ECACO;25;0;"from A to B, <a href=https://www.ebi.ac.uk/chembl/assay_report_card/CHEMBL836786/  target=_blank>CHEMBL836786</a>";;;;;;;;;-5;;;;;;;;;;;;"Surleraux DL, de Kock HA, Verschueren WG, Pille GM, Maes LJ, Peeters A, Vendeville S, De Meyer S, Azijn H, Pauwels R, de Bethune MP, King NM, Prabu-Jeyabalan M, Schiffer CA, Wigerinck PB.: Design of HIV-1 protease inhibitors active on multidrug-resistant virus. J Med Chem, Volume 48 (6), 2005";ChEMBL
MM475316;MM475316;CNc1nc2ccc(S(=O)(=O)N(CC(C)C)CC(O)C(Cc3ccccc3)NC(=O)OC3COC4OCCC34)cc2s1;;618.78;3.44;6320571;;;CHEMBL195273;CACO;ECACO;25;0;"from A to B, <a href=https://www.ebi.ac.uk/chembl/assay_report_card/CHEMBL836786/  target=_blank>CHEMBL836786</a>";;;;;;;;;-4.71;;;;;;;;;;;;"Surleraux DL, de Kock HA, Verschueren WG, Pille GM, Maes LJ, Peeters A, Vendeville S, De Meyer S, Azijn H, Pauwels R, de Bethune MP, King NM, Prabu-Jeyabalan M, Schiffer CA, Wigerinck PB.: Design of HIV-1 protease inhibitors active on multidrug-resistant virus. J Med Chem, Volume 48 (6), 2005";ChEMBL
MM475322;MM475322;NC(Cc1ccc(-c2ccccc2)cc1)C(=O)N1CCSC1;;312.44;2.76;23645379;;;CHEMBL199437;CACO;ECACO;25;0;"from A to B, <a href=https://www.ebi.ac.uk/chembl/assay_report_card/CHEMBL863903/  target=_blank>CHEMBL863903</a>";;;;;;;;;-5.34;;;;;;;;;;;;"Qiao L, Baumann CA, Crysler CS, Ninan NS, Abad MC, Spurlino JC, Desjarlais RL, Kervinen J, Neeper MP, Bayoumy SS, Williams R, Deckman IC, Dasgupta M, Reed RL, Huebert ND, Tomczuk BE, Moriarty KJ.: Discovery, SAR, and X-ray structure of novel biaryl-based dipeptidyl peptidase IV inhibitors. Bioorg Med Chem Lett, Volume 16 (1), 2006";ChEMBL
MM475323;MM475323;N#CC1CCCN1C(=O)C(N)Cc1ccc(-c2ccc(F)cc2)cc1;;337.4;2.88;23645376;;;CHEMBL199614;CACO;ECACO;25;0;"from A to B, <a href=https://www.ebi.ac.uk/chembl/assay_report_card/CHEMBL863903/  target=_blank>CHEMBL863903</a>";;;;;;;;;-5.14;;;;;;;;;;;;"Qiao L, Baumann CA, Crysler CS, Ninan NS, Abad MC, Spurlino JC, Desjarlais RL, Kervinen J, Neeper MP, Bayoumy SS, Williams R, Deckman IC, Dasgupta M, Reed RL, Huebert ND, Tomczuk BE, Moriarty KJ.: Discovery, SAR, and X-ray structure of novel biaryl-based dipeptidyl peptidase IV inhibitors. Bioorg Med Chem Lett, Volume 16 (1), 2006";ChEMBL
MM475325;MM475325;N#CC1CCCN1C(=O)C(N)Cc1ccc(-c2ccc(F)cc2F)cc1;;355.39;3.02;11595565;;;CHEMBL199905;CACO;ECACO;25;0;"from A to B, <a href=https://www.ebi.ac.uk/chembl/assay_report_card/CHEMBL863903/  target=_blank>CHEMBL863903</a>";;;;;;;;;-5.31;;;;;;;;;;;;"Qiao L, Baumann CA, Crysler CS, Ninan NS, Abad MC, Spurlino JC, Desjarlais RL, Kervinen J, Neeper MP, Bayoumy SS, Williams R, Deckman IC, Dasgupta M, Reed RL, Huebert ND, Tomczuk BE, Moriarty KJ.: Discovery, SAR, and X-ray structure of novel biaryl-based dipeptidyl peptidase IV inhibitors. Bioorg Med Chem Lett, Volume 16 (1), 2006";ChEMBL
MM475326;MM475326;N#CC1CCCN1C(=O)C(N)Cc1ccc(-c2ccccc2)cc1;;319.41;2.74;16755651;;;CHEMBL200347;CACO;ECACO;25;0;"from A to B, <a href=https://www.ebi.ac.uk/chembl/assay_report_card/CHEMBL863903/  target=_blank>CHEMBL863903</a>";;;;;;;;;-5.58;;;;;;;;;;;;"Qiao L, Baumann CA, Crysler CS, Ninan NS, Abad MC, Spurlino JC, Desjarlais RL, Kervinen J, Neeper MP, Bayoumy SS, Williams R, Deckman IC, Dasgupta M, Reed RL, Huebert ND, Tomczuk BE, Moriarty KJ.: Discovery, SAR, and X-ray structure of novel biaryl-based dipeptidyl peptidase IV inhibitors. Bioorg Med Chem Lett, Volume 16 (1), 2006";ChEMBL
MM475330;MM475330;CC(=O)N[C@@H](Cc1ccc(O)cc1)C(=O)N[C@@H](C)C(=O)NCC(=O)N[C@@H](Cc1ccccc1)C(=O)N[C@@H](CC(C)C)C(N)=O;;610.71;-0.2;;;;CHEMBL201619;CACO;ECACO;25;0;"from A to B, <a href=https://www.ebi.ac.uk/chembl/assay_report_card/CHEMBL864127/  target=_blank>CHEMBL864127</a>";;;;;;;;;-7.85;;;;;;;;;;;;"Liederer BM, Fuchs T, Vander Velde D, Siahaan TJ, Borchardt RT.: Effects of amino acid chirality and the chemical linker on the cell permeation characteristics of cyclic prodrugs of opioid peptides. J Med Chem, Volume 49 (4), 2006";ChEMBL
MM475330;MM475330;CC(=O)N[C@@H](Cc1ccc(O)cc1)C(=O)N[C@@H](C)C(=O)NCC(=O)N[C@@H](Cc1ccccc1)C(=O)N[C@@H](CC(C)C)C(N)=O;;610.71;-0.2;;;;CHEMBL201619;CACO;ECACO;25;0;"from A to B, <a href=https://www.ebi.ac.uk/chembl/assay_report_card/CHEMBL864131/  target=_blank>CHEMBL864131</a>";;;;;;;;;-7.19;;;;;;;;;;;;"Liederer BM, Fuchs T, Vander Velde D, Siahaan TJ, Borchardt RT.: Effects of amino acid chirality and the chemical linker on the cell permeation characteristics of cyclic prodrugs of opioid peptides. J Med Chem, Volume 49 (4), 2006";ChEMBL
MM475330;MM475330;CC(=O)N[C@@H](Cc1ccc(O)cc1)C(=O)N[C@@H](C)C(=O)NCC(=O)N[C@@H](Cc1ccccc1)C(=O)N[C@@H](CC(C)C)C(N)=O;;610.71;-0.2;;;;CHEMBL201619;CACO;ECACO;25;0;"from A to B, <a href=https://www.ebi.ac.uk/chembl/assay_report_card/CHEMBL865285/  target=_blank>CHEMBL865285</a>";;;;;;;;;-7.68;;;;;;;;;;;;"Liederer BM, Fuchs T, Vander Velde D, Siahaan TJ, Borchardt RT.: Effects of amino acid chirality and the chemical linker on the cell permeation characteristics of cyclic prodrugs of opioid peptides. J Med Chem, Volume 49 (4), 2006";ChEMBL
MM475331;MM475331;CC(C)CC1NC(=O)C(Cc2ccccc2)NC(=O)CNC(=O)C(C)NC(=O)C(Cc2ccc(O)cc2)NC(=O)C=Cc2ccccc2OCOC1=O;CQTYKIZQGJDXFK-QFEUDJFPSA-N;727.82;1.91;11505880;;;CHEMBL202083;CACO;ECACO;25;0;"from A to B, <a href=https://www.ebi.ac.uk/chembl/assay_report_card/CHEMBL864126/  target=_blank>CHEMBL864126</a>";;;;;;;;;-6.62;;;;;;;;;;;;"Liederer BM, Fuchs T, Vander Velde D, Siahaan TJ, Borchardt RT.: Effects of amino acid chirality and the chemical linker on the cell permeation characteristics of cyclic prodrugs of opioid peptides. J Med Chem, Volume 49 (4), 2006";ChEMBL
MM475331;MM475331;CC(C)CC1NC(=O)C(Cc2ccccc2)NC(=O)CNC(=O)C(C)NC(=O)C(Cc2ccc(O)cc2)NC(=O)C=Cc2ccccc2OCOC1=O;CQTYKIZQGJDXFK-QFEUDJFPSA-N;727.82;1.91;11505880;;;CHEMBL202083;CACO;ECACO;25;0;"from A to B, <a href=https://www.ebi.ac.uk/chembl/assay_report_card/CHEMBL864127/  target=_blank>CHEMBL864127</a>";;;;;;;;;-6.32;;;;;;;;;;;;"Liederer BM, Fuchs T, Vander Velde D, Siahaan TJ, Borchardt RT.: Effects of amino acid chirality and the chemical linker on the cell permeation characteristics of cyclic prodrugs of opioid peptides. J Med Chem, Volume 49 (4), 2006";ChEMBL
MM475331;MM475331;CC(C)CC1NC(=O)C(Cc2ccccc2)NC(=O)CNC(=O)C(C)NC(=O)C(Cc2ccc(O)cc2)NC(=O)C=Cc2ccccc2OCOC1=O;CQTYKIZQGJDXFK-QFEUDJFPSA-N;727.82;1.91;11505880;;;CHEMBL202083;CACO;ECACO;25;0;"from A to B, <a href=https://www.ebi.ac.uk/chembl/assay_report_card/CHEMBL864131/  target=_blank>CHEMBL864131</a>";;;;;;;;;-5.98;;;;;;;;;;;;"Liederer BM, Fuchs T, Vander Velde D, Siahaan TJ, Borchardt RT.: Effects of amino acid chirality and the chemical linker on the cell permeation characteristics of cyclic prodrugs of opioid peptides. J Med Chem, Volume 49 (4), 2006";ChEMBL
MM475331;MM475331;CC(C)CC1NC(=O)C(Cc2ccccc2)NC(=O)CNC(=O)C(C)NC(=O)C(Cc2ccc(O)cc2)NC(=O)C=Cc2ccccc2OCOC1=O;CQTYKIZQGJDXFK-QFEUDJFPSA-N;727.82;1.91;11505880;;;CHEMBL202083;CACO;ECACO;25;0;"from A to B, <a href=https://www.ebi.ac.uk/chembl/assay_report_card/CHEMBL865285/  target=_blank>CHEMBL865285</a>";;;;;;;;;-7.03;;;;;;;;;;;;"Liederer BM, Fuchs T, Vander Velde D, Siahaan TJ, Borchardt RT.: Effects of amino acid chirality and the chemical linker on the cell permeation characteristics of cyclic prodrugs of opioid peptides. J Med Chem, Volume 49 (4), 2006";ChEMBL
MM475340;MM475340;Cn1cc(C#N)c2ccccc21;;156.19;2.05;2307681;;;CHEMBL205035;CACO;ECACO;25;0;"from A to B, <a href=https://www.ebi.ac.uk/chembl/assay_report_card/CHEMBL870726/  target=_blank>CHEMBL870726</a>";;;;;;;;;-4.44;;;;;;;;;;;;"Beevers RE, Buckley GM, Davies N, Fraser JL, Galvin FC, Hannah DR, Haughan AF, Jenkins K, Mack SR, Pitt WR, Ratcliffe AJ, Richard MD, Sabin V, Sharpe A, Williams SC.: Novel indole inhibitors of IMPDH from fragments: synthesis and initial structure-activity relationships. Bioorg Med Chem Lett, Volume 16 (9), 2006";ChEMBL
MM475343;MM475343;COc1ccccc1Oc1cccc(CN2CCC(NC(=O)C3(c4ccccc4)CCNCC3)CC2)c1;;499.66;4.89;11533398;;;CHEMBL205447;CACO;ECACO;25;0;"from A to B, <a href=https://www.ebi.ac.uk/chembl/assay_report_card/CHEMBL870775/  target=_blank>CHEMBL870775</a>";;;;;;;;;-5.05;;;;;;;;;;;;"Ghosh S, Elder A, Guo J, Mani U, Patane M, Carson K, Ye Q, Bennett R, Chi S, Jenkins T, Guan B, Kolbeck R, Smith S, Zhang C, LaRosa G, Jaffee B, Yang H, Eddy P, Lu C, Uttamsingh V, Horlick R, Harriman G, Flynn D.: Design, synthesis, and progress toward optimization of potent small molecule antagonists of CC chemokine receptor 8 (CCR8). J Med Chem, Volume 49 (9), 2006";ChEMBL
MM475363;MM475363;CN(C(=O)Nc1ccc2c(-c3ccncc3)c[nH]c2c1)c1ccccc1;;342.4;4.9;11962096;;;CHEMBL206886;CACO;ECACO;25;0;"from A to B, <a href=https://www.ebi.ac.uk/chembl/assay_report_card/CHEMBL870726/  target=_blank>CHEMBL870726</a>";;;;;;;;;-4.84;;;;;;;;;;;;"Beevers RE, Buckley GM, Davies N, Fraser JL, Galvin FC, Hannah DR, Haughan AF, Jenkins K, Mack SR, Pitt WR, Ratcliffe AJ, Richard MD, Sabin V, Sharpe A, Williams SC.: Novel indole inhibitors of IMPDH from fragments: synthesis and initial structure-activity relationships. Bioorg Med Chem Lett, Volume 16 (9), 2006";ChEMBL
MM475365;MM475365;NC(=O)c1sc2ncccc2c1N;XZIZYTUIRQMBPN-UHFFFAOYSA-N;193.23;0.98;359052;;;CHEMBL207012;CACO;ECACO;25;0;"from A to B, <a href=https://www.ebi.ac.uk/chembl/assay_report_card/CHEMBL865085/  target=_blank>CHEMBL865085</a>";;;;;;;;;-4.89;;;;;;;;;;;;"Morwick T, Berry A, Brickwood J, Cardozo M, Catron K, DeTuri M, Emeigh J, Homon C, Hrapchak M, Jacober S, Jakes S, Kaplita P, Kelly TA, Ksiazek J, Liuzzi M, Magolda R, Mao C, Marshall D, McNeil D, Prokopowicz A, Sarko C, Scouten E, Sledziona C, Sun S, Watrous J, Wu JP, Cywin CL.: Evolution of the thienopyridine class of inhibitors of IkappaB kinase-beta: part I: hit-to-lead strategies. J Med Chem, Volume 49 (10), 2006";ChEMBL
MM475367;MM475367;NC(=O)c1sc(-c2ccccc2)cc1N;DYRYDYQWWQHRQE-UHFFFAOYSA-N;218.28;2.1;2756534;;;CHEMBL207028;CACO;ECACO;25;0;"from A to B, <a href=https://www.ebi.ac.uk/chembl/assay_report_card/CHEMBL865085/  target=_blank>CHEMBL865085</a>";;;;;;;;;-5.03;;;;;;;;;;;;"Morwick T, Berry A, Brickwood J, Cardozo M, Catron K, DeTuri M, Emeigh J, Homon C, Hrapchak M, Jacober S, Jakes S, Kaplita P, Kelly TA, Ksiazek J, Liuzzi M, Magolda R, Mao C, Marshall D, McNeil D, Prokopowicz A, Sarko C, Scouten E, Sledziona C, Sun S, Watrous J, Wu JP, Cywin CL.: Evolution of the thienopyridine class of inhibitors of IkappaB kinase-beta: part I: hit-to-lead strategies. J Med Chem, Volume 49 (10), 2006";ChEMBL
MM475368;MM475368;NC(=O)c1sc(-c2ccc(F)cc2)cc1N;VRUAXQODZDRLMI-UHFFFAOYSA-N;236.27;2.24;2782903;;;CHEMBL207071;CACO;ECACO;25;0;"from A to B, <a href=https://www.ebi.ac.uk/chembl/assay_report_card/CHEMBL865085/  target=_blank>CHEMBL865085</a>";;;;;;;;;-4.71;;;;;;;;;;;;"Morwick T, Berry A, Brickwood J, Cardozo M, Catron K, DeTuri M, Emeigh J, Homon C, Hrapchak M, Jacober S, Jakes S, Kaplita P, Kelly TA, Ksiazek J, Liuzzi M, Magolda R, Mao C, Marshall D, McNeil D, Prokopowicz A, Sarko C, Scouten E, Sledziona C, Sun S, Watrous J, Wu JP, Cywin CL.: Evolution of the thienopyridine class of inhibitors of IkappaB kinase-beta: part I: hit-to-lead strategies. J Med Chem, Volume 49 (10), 2006";ChEMBL
MM475372;MM475372;CC(C)CC(NC(=S)Nc1ccccc1)C(=O)NC1CCOC1O;DFTOOBKXSNAAPW-ADTLFGHVSA-N;351.47;1.61;9798553;;;CHEMBL207440;CACO;ECACO;25;0;"from A to B, <a href=https://www.ebi.ac.uk/chembl/assay_report_card/CHEMBL863675/  target=_blank>CHEMBL863675</a>";;;;;;;;;-4.84;;;;;;;;;;;;"Shirasaki Y, Nakamura M, Yamaguchi M, Miyashita H, Sakai O, Inoue J.: Exploration of orally available calpain inhibitors 2: peptidyl hemiacetal derivatives. J Med Chem, Volume 49 (13), 2006";ChEMBL
MM475376;MM475376;NC(=O)c1nc(-c2ccccc2)oc1N;UPWLRKVVLBSIPK-UHFFFAOYSA-N;203.2;1.02;11708263;;;CHEMBL207987;CACO;ECACO;25;0;"from A to B, <a href=https://www.ebi.ac.uk/chembl/assay_report_card/CHEMBL865085/  target=_blank>CHEMBL865085</a>";;;;;;;;;-5.19;;;;;;;;;;;;"Morwick T, Berry A, Brickwood J, Cardozo M, Catron K, DeTuri M, Emeigh J, Homon C, Hrapchak M, Jacober S, Jakes S, Kaplita P, Kelly TA, Ksiazek J, Liuzzi M, Magolda R, Mao C, Marshall D, McNeil D, Prokopowicz A, Sarko C, Scouten E, Sledziona C, Sun S, Watrous J, Wu JP, Cywin CL.: Evolution of the thienopyridine class of inhibitors of IkappaB kinase-beta: part I: hit-to-lead strategies. J Med Chem, Volume 49 (10), 2006";ChEMBL
MM475381;MM475381;COc1cnn(C)c(=O)c1-c1ccc(CC(NC(=O)c2c(Cl)cccc2Cl)C(=O)O)cc1;WYHTUAPAMDIATI-INIZCTEOSA-N;476.32;3.19;11340507;;;CHEMBL208950;CACO;ECACO;25;0;"from A to B, <a href=https://www.ebi.ac.uk/chembl/assay_report_card/CHEMBL947948/  target=_blank>CHEMBL947948</a>";;;;;;;;;-6.89;;;;;;;;;;;;"Gong Y, Kent Barbay J, Kimball ES, Santulli RJ, Carolyn Fisher M, Dyatkin AB, Miskowski TA, Hornby PJ, He W.: Synthesis and SAR of pyridazinone-substituted phenylalanine amide alpha4 integrin antagonists. Bioorg Med Chem Lett, Volume 18 (4), 2008";ChEMBL
MM475383;MM475383;CC(c1ccc(Cl)cc1)N1C(=O)c2cc(I)ccc2N(CCCCC(=O)O)C(=O)C1c1ccc(Cl)cc1;;651.33;7.14;11952815;;;CHEMBL210151;CACO;ECACO;25;0;"from A to B, <a href=https://www.ebi.ac.uk/chembl/assay_report_card/CHEMBL853094/  target=_blank>CHEMBL853094</a>";;;;;;;;;-5.13;;;;;;;;;;;;"Parks DJ, LaFrance LV, Calvo RR, Milkiewicz KL, Marugán JJ, Raboisson P, Schubert C, Koblish HK, Zhao S, Franks CF, Lattanze J, Carver TE, Cummings MD, Maguire D, Grasberger BL, Maroney AC, Lu T.: Enhanced pharmacokinetic properties of 1,4-benzodiazepine-2,5-dione antagonists of the HDM2-p53 protein-protein interaction through structure-based drug design. Bioorg Med Chem Lett, Volume 16 (12), 2006";ChEMBL
MM471804;MM471804;O=C(O)C1CCCN1S(=O)(=O)c1cc(Cl)c(Cl)c(Cl)c1O;SMIZKRHOEQTUGE-LURJTMIESA-N;374.63;2.59;11660780;;;CHEMBL210597;CACO;ECACO;25;0;"from A to B, <a href=https://www.ebi.ac.uk/chembl/assay_report_card/CHEMBL868185/  target=_blank>CHEMBL868185</a>";;;;;;;;;-6.4;;;;;;;;;;;;"Gopalsamy A, Chopra R, Lim K, Ciszewski G, Shi M, Curran KJ, Sukits SF, Svenson K, Bard J, Ellingboe JW, Agarwal A, Krishnamurthy G, Howe AY, Orlowski M, Feld B, O'Connell J, Mansour TS.: Discovery of proline sulfonamides as potent and selective hepatitis C virus NS5b polymerase inhibitors. Evidence for a new NS5b polymerase binding site. J Med Chem, Volume 49 (11), 2006";ChEMBL
MM475385;MM475385;CC#Cc1ccc2c(c1)C(=O)N(C(C)c1ccc(Cl)cc1)C(c1ccc(Cl)cc1)C(=O)N2CCCCC(=O)O;;563.48;6.91;11953254;;;CHEMBL210913;CACO;ECACO;25;0;"from A to B, <a href=https://www.ebi.ac.uk/chembl/assay_report_card/CHEMBL853094/  target=_blank>CHEMBL853094</a>";;;;;;;;;-4.7;;;;;;;;;;;;"Parks DJ, LaFrance LV, Calvo RR, Milkiewicz KL, Marugán JJ, Raboisson P, Schubert C, Koblish HK, Zhao S, Franks CF, Lattanze J, Carver TE, Cummings MD, Maguire D, Grasberger BL, Maroney AC, Lu T.: Enhanced pharmacokinetic properties of 1,4-benzodiazepine-2,5-dione antagonists of the HDM2-p53 protein-protein interaction through structure-based drug design. Bioorg Med Chem Lett, Volume 16 (12), 2006";ChEMBL
MM475390;MM475390;Cc1ccc(N2CCN(C(=O)C(C)Cc3ccc(Cl)cc3)CC2)c(C(N)CC(C)C)c1;RZLPZBLBQNNVLZ-YKSBVNFPSA-N;442.05;5.22;16046215;;;CHEMBL213122;CACO;ECACO;25;0;"from A to B, <a href=https://www.ebi.ac.uk/chembl/assay_report_card/CHEMBL901398/  target=_blank>CHEMBL901398</a>";;;;;;;;;-5.74;;;;;;;;;;;;"Tran JA, Jiang W, Tucci FC, Fleck BA, Wen J, Sai Y, Madan A, Chen TK, Markison S, Foster AC, Hoare SR, Marks D, Harman J, Chen CW, Arellano M, Marinkovic D, Bozigian H, Saunders J, Chen C.: Design, synthesis, in vitro, and in vivo characterization of phenylpiperazines and pyridinylpiperazines as potent and selective antagonists of the melanocortin-4 receptor. J Med Chem, Volume 50 (25), 2007";ChEMBL
MM475396;MM475396;CC(C)c1nnc2ccc(-c3nc[nH]c3-c3cc(F)ccc3F)cn12;;339.35;4.19;23647350;;;CHEMBL214152;CACO;ECACO;25;0;"from A to B, <a href=https://www.ebi.ac.uk/chembl/assay_report_card/CHEMBL867927/  target=_blank>CHEMBL867927</a>";;;;;;;;;-6;;;;;;;;;;;;"McClure KF, Letavic MA, Kalgutkar AS, Gabel CA, Audoly L, Barberia JT, Braganza JF, Carter D, Carty TJ, Cortina SR, Dombroski MA, Donahue KM, Elliott NC, Gibbons CP, Jordan CK, Kuperman AV, Labasi JM, Laliberte RE, McCoy JM, Naiman BM, Nelson KL, Nguyen HT, Peese KM, Sweeney FJ, Taylor TJ, Trebino CE, Abramov YA, Laird ER, Volberg WA, Zhou J, Bach J, Lombardo F.: Structure-activity relationships of triazolopyridine oxazole p38 inhibitors: identification of candidates for clinical development. Bioorg Med Chem Lett, Volume 16 (16), 2006";ChEMBL
MM475398;MM475398;CC(C)c1nnc2ccc(-c3cn[nH]c3-c3cc(F)ccc3F)cn12;;339.35;4.19;23647348;;;CHEMBL214198;CACO;ECACO;25;0;"from A to B, <a href=https://www.ebi.ac.uk/chembl/assay_report_card/CHEMBL867927/  target=_blank>CHEMBL867927</a>";;;;;;;;;-5.22;;;;;;;;;;;;"McClure KF, Letavic MA, Kalgutkar AS, Gabel CA, Audoly L, Barberia JT, Braganza JF, Carter D, Carty TJ, Cortina SR, Dombroski MA, Donahue KM, Elliott NC, Gibbons CP, Jordan CK, Kuperman AV, Labasi JM, Laliberte RE, McCoy JM, Naiman BM, Nelson KL, Nguyen HT, Peese KM, Sweeney FJ, Taylor TJ, Trebino CE, Abramov YA, Laird ER, Volberg WA, Zhou J, Bach J, Lombardo F.: Structure-activity relationships of triazolopyridine oxazole p38 inhibitors: identification of candidates for clinical development. Bioorg Med Chem Lett, Volume 16 (16), 2006";ChEMBL
MM30965;MM30965;COc1ccccc1CC(c1ccccc1)N1CCNCC1;PFTJCYRHNKTTTO-UHFFFAOYSA-N;296.41;2.88;44414722;;;CHEMBL214335;CACO;ECACO;25;0;"from A to B, <a href=https://www.ebi.ac.uk/chembl/assay_report_card/CHEMBL1120626/  target=_blank>CHEMBL1120626</a>";;;;;;;;;-4.54;;;;;;;;;;;;"Fray MJ, Fish PV, Allan GA, Bish G, Clarke N, Eccles R, Harrison AC, Le Net JL, Phillips SC, Regan N, Sobry C, Stobie A, Wakenhut F, Westbrook D, Westbrook SL, Whitlock GA.: Second generation N-(1,2-diphenylethyl)piperazines as dual serotonin and noradrenaline reuptake inhibitors: improving metabolic stability and reducing ion channel activity. Bioorg Med Chem Lett, Volume 20 (12), 2010";ChEMBL
MM475403;MM475403;CCc1nc2c(C)cc(C)nc2n1Cc1ccc(-c2c(C(=O)O)n(C)c(=O)c3ccccc23)cc1;UUTPXLIURPXEIR-UHFFFAOYSA-N;466.54;4.88;11974939;;;CHEMBL216747;CACO;ECACO;25;0;"from A to B, <a href=https://www.ebi.ac.uk/chembl/assay_report_card/CHEMBL908920/  target=_blank>CHEMBL908920</a>";;;;;;;;;-7.52;;;;;;;;;;;;"Cappelli A, Pericot Mohr Gl, Giuliani G, Galeazzi S, Anzini M, Mennuni L, Ferrari F, Makovec F, Kleinrath EM, Langer T, Valoti M, Giorgi G, Vomero S.: Further studies on imidazo[4,5-b]pyridine AT1 angiotensin II receptor antagonists. Effects of the transformation of the 4-phenylquinoline backbone into 4-phenylisoquinolinone or 1-phenylindene scaffolds. J Med Chem, Volume 49 (22), 2006";ChEMBL
MM475404;MM475404;O=C(O)COc1ccc(Br)cc1C(=O)c1cnn(-c2ccccc2)c1;;401.22;3.33;11647012;;;CHEMBL217053;CACO;ECACO;25;0;"from A to B, <a href=https://www.ebi.ac.uk/chembl/assay_report_card/CHEMBL908269/  target=_blank>CHEMBL908269</a>";;;;;;;;;-5.06;;;;;;;;;;;;"Ulven T, Receveur JM, Grimstrup M, Rist Ø, Frimurer TM, Gerlach LO, Mathiesen JM, Kostenis E, Uller L, Högberg T.: Novel selective orally active CRTH2 antagonists for allergic inflammation developed from in silico derived hits. J Med Chem, Volume 49 (23), 2006";ChEMBL
MM475405;MM475405;CCCCc1nc2c(C)cc(C)nc2n1Cc1ccc(-c2c(C(=O)O)n(C)c(=O)c3ccccc23)cc1;YUDQFUUZTCMUCN-UHFFFAOYSA-N;494.6;5.66;11975059;;;CHEMBL217659;CACO;ECACO;25;0;"from A to B, <a href=https://www.ebi.ac.uk/chembl/assay_report_card/CHEMBL908920/  target=_blank>CHEMBL908920</a>";;;;;;;;;-8;;;;;;;;;;;;"Cappelli A, Pericot Mohr Gl, Giuliani G, Galeazzi S, Anzini M, Mennuni L, Ferrari F, Makovec F, Kleinrath EM, Langer T, Valoti M, Giorgi G, Vomero S.: Further studies on imidazo[4,5-b]pyridine AT1 angiotensin II receptor antagonists. Effects of the transformation of the 4-phenylquinoline backbone into 4-phenylisoquinolinone or 1-phenylindene scaffolds. J Med Chem, Volume 49 (22), 2006";ChEMBL
MM475406;MM475406;CCOC(=O)N1CCC(NS(=O)(=O)c2ccc(NC(=O)c3ccccc3C)c3ccccc23)CC1;;495.6;4.3;16105788;;;CHEMBL218375;CACO;ECACO;25;0;"from A to B, <a href=https://www.ebi.ac.uk/chembl/assay_report_card/CHEMBL855763/  target=_blank>CHEMBL855763</a>";;;;;;;;;-4.77;;;;;;;;;;;;"Jenkins TJ, Guan B, Dai M, Li G, Lightburn TE, Huang S, Freeze BS, Burdi DF, Jacutin-Porte S, Bennett R, Chen W, Minor C, Ghosh S, Blackburn C, Gigstad KM, Jones M, Kolbeck R, Yin W, Smith S, Cardillo D, Ocain TD, Harriman GC.: Design, synthesis, and evaluation of naphthalene-sulfonamide antagonists of human CCR8. J Med Chem, Volume 50 (3), 2007";ChEMBL
MM475410;MM475410;CCNC(=O)N1CCC(NS(=O)(=O)c2ccc(NC(=O)c3ccccc3C)c3ccccc23)CC1;;494.62;3.87;16105889;;;CHEMBL220701;CACO;ECACO;25;0;"from A to B, <a href=https://www.ebi.ac.uk/chembl/assay_report_card/CHEMBL855763/  target=_blank>CHEMBL855763</a>";;;;;;;;;-5.72;;;;;;;;;;;;"Jenkins TJ, Guan B, Dai M, Li G, Lightburn TE, Huang S, Freeze BS, Burdi DF, Jacutin-Porte S, Bennett R, Chen W, Minor C, Ghosh S, Blackburn C, Gigstad KM, Jones M, Kolbeck R, Yin W, Smith S, Cardillo D, Ocain TD, Harriman GC.: Design, synthesis, and evaluation of naphthalene-sulfonamide antagonists of human CCR8. J Med Chem, Volume 50 (3), 2007";ChEMBL
MM475420;MM475420;O=C1NCCc2[nH]c(-c3ccnc(-c4ccccc4F)c3)cc21;XJJYJNMNYDNXNO-UHFFFAOYSA-N;307.33;3.17;11992146;;;CHEMBL226471;CACO;ECACO;25;0;"from A to B, <a href=https://www.ebi.ac.uk/chembl/assay_report_card/CHEMBL904800/  target=_blank>CHEMBL904800</a>";;;;;;;;;-5.02;;;;;;;;;;;;"Anderson DR, Meyers MJ, Vernier WF, Mahoney MW, Kurumbail RG, Caspers N, Poda GI, Schindler JF, Reitz DB, Mourey RJ.: Pyrrolopyridine inhibitors of mitogen-activated protein kinase-activated protein kinase 2 (MK-2). J Med Chem, Volume 50 (11), 2007";ChEMBL
MM472530;MM472530;COc1nn(CSP(=S)(OC)OC)c(=O)s1;;302.34;1.52;;;;CHEMBL226651;CACO;ECACO;25;0;"from A to B, <a href=https://www.ebi.ac.uk/chembl/assay_report_card/CHEMBL905616/  target=_blank>CHEMBL905616</a>";;;;;;;;;-4.32;;;;;;;;;;;;"Fujikawa M, Nakao K, Shimizu R, Akamatsu M.: QSAR study on permeability of hydrophobic compounds with artificial membranes. Bioorg Med Chem, Volume 15 (11), 3756-3767, 2007";ChEMBL
MM472525;MM472525;CCc1ccc(C(=O)NN(C(=O)c2cc(C)cc(C)c2)C(C)(C)C)cc1;;352.48;4.45;;;;CHEMBL226968;CACO;ECACO;25;0;"from A to B, <a href=https://www.ebi.ac.uk/chembl/assay_report_card/CHEMBL905616/  target=_blank>CHEMBL905616</a>";;;;;;;;;-4.44;;;;;;;;;;;;"Fujikawa M, Nakao K, Shimizu R, Akamatsu M.: QSAR study on permeability of hydrophobic compounds with artificial membranes. Bioorg Med Chem, Volume 15 (11), 3756-3767, 2007";ChEMBL
MM475421;MM475421;CC1(C)C2=C3CC4C5=[N+](CCC4OC3CCN2c2ccc(CC(=O)NCCCCCCN(CCOc3ccc(NS(C)(=O)=O)cc3)CCc3ccc(NS(C)(=O)=O)cc3)cc21)c1ccc(S(=O)(=O)[O-])cc1C5(C)C;;1071.4;7.19;;;;CHEMBL227000;CACO;ECACO;25;+1,-1;"from A to B, <a href=https://www.ebi.ac.uk/chembl/assay_report_card/CHEMBL889311/  target=_blank>CHEMBL889311</a>";;;;;;;;;-5.27;;;;;;;;;;;;"Singleton DH, Boyd H, Steidl-Nichols JV, Deacon M, Groot MJ, Price D, Nettleton DO, Wallace NK, Troutman MD, Williams C, Boyd JG.: Fluorescently labeled analogues of dofetilide as high-affinity fluorescence polarization ligands for the human ether-a-go-go-related gene (hERG) channel. J Med Chem, Volume 50 (13), 2007";ChEMBL
MM475422;MM475422;CS(=O)(=O)Nc1ccc(CCN(CCOc2ccc(NS(C)(=O)=O)cc2)c2ccc([N+](=O)[O-])c3nonc23)cc1;;590.64;3;;;;CHEMBL227134;CACO;ECACO;25;+1,-1;"from A to B, <a href=https://www.ebi.ac.uk/chembl/assay_report_card/CHEMBL889311/  target=_blank>CHEMBL889311</a>";;;;;;;;;-5.43;;;;;;;;;;;;"Singleton DH, Boyd H, Steidl-Nichols JV, Deacon M, Groot MJ, Price D, Nettleton DO, Wallace NK, Troutman MD, Williams C, Boyd JG.: Fluorescently labeled analogues of dofetilide as high-affinity fluorescence polarization ligands for the human ether-a-go-go-related gene (hERG) channel. J Med Chem, Volume 50 (13), 2007";ChEMBL
MM475423;MM475423;O=C(O)CC(c1cccnc1)n1ccc2c(CCc3ccc4c(n3)NCCC4)cccc21;;426.52;4.64;11965389;;;CHEMBL228605;CACO;ECACO;25;0;"from A to B, <a href=https://www.ebi.ac.uk/chembl/assay_report_card/CHEMBL887267/  target=_blank>CHEMBL887267</a>";;;;;;;;;-5.66;;;;;;;;;;;;"Raboisson P, Desjarlais RL, Reed R, Lattanze J, Chaikin M, Manthey CL, Tomczuk BE, Marugán JJ.: Identification of novel short chain 4-substituted indoles as potent alphavbeta3 antagonist using structure-based drug design. Eur J Med Chem, Volume 42 (3), 2007";ChEMBL
MM475426;MM475426;NC(N)=NCCCC(NC(=O)c1ccc(C(c2ccccc2)c2ccccc2)o1)C(=O)O;KQTJPESSNDKYIC-SFHVURJKSA-N;434.5;2.91;17753143;;;CHEMBL230034;CACO;ECACO;25;0;"from A to B, <a href=https://www.ebi.ac.uk/chembl/assay_report_card/CHEMBL889069/  target=_blank>CHEMBL889069</a>";;;;;;;;;-6.4;;;;;;;;;;;;"Denonne F, Binet S, Burton M, Collart P, Dipesa A, Ganguly T, Giannaras A, Kumar S, Lewis T, Maounis F, Nicolas JM, Mansley T, Pasau P, Preda D, Stebbins K, Volosov A, Zou D.: Discovery of new C3aR ligands. Part 1: arginine derivatives. Bioorg Med Chem Lett, Volume 17 (12), 2007";ChEMBL
MM475428;MM475428;CC(Cc1cccc(CC(=O)NC2Cc3ccccc3C2)c1)NCC(O)c1ccc(O)c(CO)c1;FNEGAPIEQCNGCS-GDJIYFAZSA-N;474.6;2.96;11751851;;;CHEMBL230381;CACO;ECACO;25;0;"from A to B, <a href=https://www.ebi.ac.uk/chembl/assay_report_card/CHEMBL889146/  target=_blank>CHEMBL889146</a>";;;;;;;;;-6;;;;;;;;;;;;"Brown AD, Bunnage ME, Glossop PA, James K, Jones R, Lane CA, Lewthwaite RA, Mantell S, Perros-Huguet C, Price DA, Trevethick M, Webster R.: The discovery of long acting beta2-adrenoreceptor agonists. Bioorg Med Chem Lett, Volume 17 (14), 2007";ChEMBL
MM475429;MM475429;CC(Cc1cccc(CC(=O)NCc2cc(C(F)(F)F)ccc2F)c1)NCC(O)c1ccc(O)c(CO)c1;SKXGMLMLOXYJKI-QUGAMOGWSA-N;534.55;4.16;11444009;;;CHEMBL230383;CACO;ECACO;25;0;"from A to B, <a href=https://www.ebi.ac.uk/chembl/assay_report_card/CHEMBL889146/  target=_blank>CHEMBL889146</a>";;;;;;;;;-5.7;;;;;;;;;;;;"Brown AD, Bunnage ME, Glossop PA, James K, Jones R, Lane CA, Lewthwaite RA, Mantell S, Perros-Huguet C, Price DA, Trevethick M, Webster R.: The discovery of long acting beta2-adrenoreceptor agonists. Bioorg Med Chem Lett, Volume 17 (14), 2007";ChEMBL
MM475430;MM475430;CC(Cc1cccc(CC(=O)NCc2ccc(Cl)c(Cl)c2)c1)NCC(O)c1ccc(O)c(CO)c1;AOJZKEWJJYTGIX-QUGAMOGWSA-N;517.45;4.3;11214499;;;CHEMBL230490;CACO;ECACO;25;0;"from A to B, <a href=https://www.ebi.ac.uk/chembl/assay_report_card/CHEMBL889146/  target=_blank>CHEMBL889146</a>";;;;;;;;;-6;;;;;;;;;;;;"Brown AD, Bunnage ME, Glossop PA, James K, Jones R, Lane CA, Lewthwaite RA, Mantell S, Perros-Huguet C, Price DA, Trevethick M, Webster R.: The discovery of long acting beta2-adrenoreceptor agonists. Bioorg Med Chem Lett, Volume 17 (14), 2007";ChEMBL
MM475431;MM475431;COc1ccc(CCC2(C3CCCC3)CC(O)=C(Sc3nc4nc(C)cc(C)n4n3)C(=O)O2)cc1Cl;;529.06;5.77;54720332;;;CHEMBL230532;CACO;ECACO;25;0;"from A to B, <a href=https://www.ebi.ac.uk/chembl/assay_report_card/CHEMBL894278/  target=_blank>CHEMBL894278</a>";;;;;;;;;-5.52;;;;;;;;;;;;"Li H, Linton A, Tatlock J, Gonzalez J, Borchardt A, Abreo M, Jewell T, Patel L, Drowns M, Ludlum S, Goble M, Yang M, Blazel J, Rahavendran R, Skor H, Shi S, Lewis C, Fuhrman S.: Allosteric inhibitors of hepatitis C polymerase: discovery of potent and orally bioavailable carbon-linked dihydropyrones. J Med Chem, Volume 50 (17), 2007";ChEMBL
MM475432;MM475432;COc1ccc(CCC2(C3CCCC3)CC(O)=C(Cc3nc4nc(C)cc(C)n4n3)C(=O)O2)cc1Cl;;511.02;5.27;54736487;;;CHEMBL230533;CACO;ECACO;25;0;"from A to B, <a href=https://www.ebi.ac.uk/chembl/assay_report_card/CHEMBL894278/  target=_blank>CHEMBL894278</a>";;;;;;;;;-5;;;;;;;;;;;;"Li H, Linton A, Tatlock J, Gonzalez J, Borchardt A, Abreo M, Jewell T, Patel L, Drowns M, Ludlum S, Goble M, Yang M, Blazel J, Rahavendran R, Skor H, Shi S, Lewis C, Fuhrman S.: Allosteric inhibitors of hepatitis C polymerase: discovery of potent and orally bioavailable carbon-linked dihydropyrones. J Med Chem, Volume 50 (17), 2007";ChEMBL
MM475433;MM475433;CC(Cc1cccc(CC(=O)NCc2cc(Cl)cc(Cl)c2)c1)NCC(O)c1ccc(O)c(CO)c1;RQMJXRIKISIBQH-QUGAMOGWSA-N;517.45;4.3;11168296;;;CHEMBL230596;CACO;ECACO;25;0;"from A to B, <a href=https://www.ebi.ac.uk/chembl/assay_report_card/CHEMBL889146/  target=_blank>CHEMBL889146</a>";;;;;;;;;-6;;;;;;;;;;;;"Brown AD, Bunnage ME, Glossop PA, James K, Jones R, Lane CA, Lewthwaite RA, Mantell S, Perros-Huguet C, Price DA, Trevethick M, Webster R.: The discovery of long acting beta2-adrenoreceptor agonists. Bioorg Med Chem Lett, Volume 17 (14), 2007";ChEMBL
MM475434;MM475434;Cn1cncc1CN1CC(N(CC2CCN(C(=O)OC(C)(C)C)CC2)S(=O)(=O)c2ccccn2)Cc2cc(C#N)ccc21;FQLPAFFYSWNCAX-UHFFFAOYSA-N;605.77;3.96;17759748;;;CHEMBL231662;CACO;ECACO;25;0;"from A to B, <a href=https://www.ebi.ac.uk/chembl/assay_report_card/CHEMBL967838/  target=_blank>CHEMBL967838</a>";;;;;;;;;-4.81;;;;;;;;;;;;"Van Voorhis WC, Rivas KL, Bendale P, Nallan L, Hornéy C, Barrett LK, Bauer KD, Smart BP, Ankala S, Hucke O, Verlinde CL, Chakrabarti D, Strickland C, Yokoyama K, Buckner FS, Hamilton AD, Williams DK, Lombardo LJ, Floyd D, Gelb MH.: Efficacy, pharmacokinetics, and metabolism of tetrahydroquinoline inhibitors of Plasmodium falciparum protein farnesyltransferase. Antimicrob Agents Chemother, Volume 51 (10), 2007";ChEMBL
MM475435;MM475435;COc1ccc(-n2nc(C(N)=O)c3c2C(=O)N(c2ccc(N4CCCCC4=O)cc2)CC3)cc1;;459.51;2.7;54590406;;;CHEMBL3526474;CACO;ECACO;25;0;"from A to B, <a href=https://www.ebi.ac.uk/chembl/assay_report_card/CHEMBL1010166/  target=_blank>CHEMBL1010166</a>";;;;;;;;;-6.05;;;;;;;;;;;;"Qiao JX, King SR, He K, Wong PC, Rendina AR, Luettgen JM, Xin B, Knabb RM, Wexler RR, Lam PY.: Highly efficacious factor Xa inhibitors containing alpha-substituted phenylcycloalkyl P4 moieties. Bioorg Med Chem Lett, Volume 19 (2), 2009";ChEMBL
MM475436;MM475436;COC(=O)N1CCC(CN(C2Cc3cc(C#N)ccc3N(Cc3cncn3C)C2)S(=O)(=O)c2ccccn2)CC1;BRIVIXLMMUIBJY-UHFFFAOYSA-N;563.68;2.79;17758320;;;CHEMBL232104;CACO;ECACO;25;0;"from A to B, <a href=https://www.ebi.ac.uk/chembl/assay_report_card/CHEMBL967838/  target=_blank>CHEMBL967838</a>";;;;;;;;;-5.96;;;;;;;;;;;;"Van Voorhis WC, Rivas KL, Bendale P, Nallan L, Hornéy C, Barrett LK, Bauer KD, Smart BP, Ankala S, Hucke O, Verlinde CL, Chakrabarti D, Strickland C, Yokoyama K, Buckner FS, Hamilton AD, Williams DK, Lombardo LJ, Floyd D, Gelb MH.: Efficacy, pharmacokinetics, and metabolism of tetrahydroquinoline inhibitors of Plasmodium falciparum protein farnesyltransferase. Antimicrob Agents Chemother, Volume 51 (10), 2007";ChEMBL
MM475438;MM475438;CCOC(=O)N1CCC(CN(C2Cc3cc(C#N)ccc3N(Cc3cncn3C)C2)S(=O)(=O)c2ccccn2)CC1;OAERLEDUYZOGEV-UHFFFAOYSA-N;577.71;3.18;17758323;;;CHEMBL232523;CACO;ECACO;25;0;"from A to B, <a href=https://www.ebi.ac.uk/chembl/assay_report_card/CHEMBL967838/  target=_blank>CHEMBL967838</a>";;;;;;;;;-5.59;;;;;;;;;;;;"Van Voorhis WC, Rivas KL, Bendale P, Nallan L, Hornéy C, Barrett LK, Bauer KD, Smart BP, Ankala S, Hucke O, Verlinde CL, Chakrabarti D, Strickland C, Yokoyama K, Buckner FS, Hamilton AD, Williams DK, Lombardo LJ, Floyd D, Gelb MH.: Efficacy, pharmacokinetics, and metabolism of tetrahydroquinoline inhibitors of Plasmodium falciparum protein farnesyltransferase. Antimicrob Agents Chemother, Volume 51 (10), 2007";ChEMBL
MM475439;MM475439;Cn1cncc1CN1CC(N(Cc2ccc(S(C)(=O)=O)cc2)S(=O)(=O)c2ccccn2)Cc2cc(C#N)ccc21;;576.7;2.91;17758539;;;CHEMBL232526;CACO;ECACO;25;0;"from A to B, <a href=https://www.ebi.ac.uk/chembl/assay_report_card/CHEMBL967838/  target=_blank>CHEMBL967838</a>";;;;;;;;;-6.7;;;;;;;;;;;;"Van Voorhis WC, Rivas KL, Bendale P, Nallan L, Hornéy C, Barrett LK, Bauer KD, Smart BP, Ankala S, Hucke O, Verlinde CL, Chakrabarti D, Strickland C, Yokoyama K, Buckner FS, Hamilton AD, Williams DK, Lombardo LJ, Floyd D, Gelb MH.: Efficacy, pharmacokinetics, and metabolism of tetrahydroquinoline inhibitors of Plasmodium falciparum protein farnesyltransferase. Antimicrob Agents Chemother, Volume 51 (10), 2007";ChEMBL
MM475440;MM475440;O=C(O)CN1C(=O)C(NC(=O)c2cc3sc(Cl)c(Cl)c3[nH]2)Cc2ccccc21;;438.29;3.31;9980551;;;CHEMBL232627;CACO;ECACO;25;0;"from A to B, <a href=https://www.ebi.ac.uk/chembl/assay_report_card/CHEMBL889960/  target=_blank>CHEMBL889960</a>";;;;;;;;;-6.52;;;;;;;;;;;;"Birch AM, Kenny PW, Oikonomakos NG, Otterbein L, Schofield P, Whittamore PR, Whalley DP.: Development of potent, orally active 1-substituted-3,4-dihydro-2-quinolone glycogen phosphorylase inhibitors. Bioorg Med Chem Lett, Volume 17 (2), 2007";ChEMBL
MM475443;MM475443;O=C(CN1C(=O)C(NC(=O)c2cc3cc(Cl)sc3[nH]2)Cc2ccccc21)NCCO;;446.92;1.68;10026604;;;CHEMBL233035;CACO;ECACO;25;0;"from A to B, <a href=https://www.ebi.ac.uk/chembl/assay_report_card/CHEMBL889960/  target=_blank>CHEMBL889960</a>";;;;;;;;;-5.4;;;;;;;;;;;;"Birch AM, Kenny PW, Oikonomakos NG, Otterbein L, Schofield P, Whittamore PR, Whalley DP.: Development of potent, orally active 1-substituted-3,4-dihydro-2-quinolone glycogen phosphorylase inhibitors. Bioorg Med Chem Lett, Volume 17 (2), 2007";ChEMBL
MM475452;MM475452;CC(=O)N1CCC(CN(C2Cc3cc(C#N)ccc3N(Cc3cncn3C)C2)S(=O)(=O)c2ccccn2)CC1;BBWLVKQTRNHDFL-UHFFFAOYSA-N;547.69;2.57;17758440;;;CHEMBL233941;CACO;ECACO;25;0;"from A to B, <a href=https://www.ebi.ac.uk/chembl/assay_report_card/CHEMBL967838/  target=_blank>CHEMBL967838</a>";;;;;;;;;-6.3;;;;;;;;;;;;"Van Voorhis WC, Rivas KL, Bendale P, Nallan L, Hornéy C, Barrett LK, Bauer KD, Smart BP, Ankala S, Hucke O, Verlinde CL, Chakrabarti D, Strickland C, Yokoyama K, Buckner FS, Hamilton AD, Williams DK, Lombardo LJ, Floyd D, Gelb MH.: Efficacy, pharmacokinetics, and metabolism of tetrahydroquinoline inhibitors of Plasmodium falciparum protein farnesyltransferase. Antimicrob Agents Chemother, Volume 51 (10), 2007";ChEMBL
MM475460;MM475460;Cn1cnc(S(=O)(=O)N(CCn2cccc2)C2Cc3cc(C#N)ccc3N(Cc3cncn3C)C2)c1;;504.62;2.15;17759285;;;CHEMBL234578;CACO;ECACO;25;0;"from A to B, <a href=https://www.ebi.ac.uk/chembl/assay_report_card/CHEMBL967838/  target=_blank>CHEMBL967838</a>";;;;;;;;;-6.52;;;;;;;;;;;;"Van Voorhis WC, Rivas KL, Bendale P, Nallan L, Hornéy C, Barrett LK, Bauer KD, Smart BP, Ankala S, Hucke O, Verlinde CL, Chakrabarti D, Strickland C, Yokoyama K, Buckner FS, Hamilton AD, Williams DK, Lombardo LJ, Floyd D, Gelb MH.: Efficacy, pharmacokinetics, and metabolism of tetrahydroquinoline inhibitors of Plasmodium falciparum protein farnesyltransferase. Antimicrob Agents Chemother, Volume 51 (10), 2007";ChEMBL
MM475461;MM475461;Cn1cnc(S(=O)(=O)N(Cc2ccc(C(F)(F)F)o2)C2Cc3cc(C#N)ccc3N(Cc3cncn3C)C2)c1;;559.57;3.46;17758113;;;CHEMBL234579;CACO;ECACO;25;0;"from A to B, <a href=https://www.ebi.ac.uk/chembl/assay_report_card/CHEMBL967838/  target=_blank>CHEMBL967838</a>";;;;;;;;;-6.15;;;;;;;;;;;;"Van Voorhis WC, Rivas KL, Bendale P, Nallan L, Hornéy C, Barrett LK, Bauer KD, Smart BP, Ankala S, Hucke O, Verlinde CL, Chakrabarti D, Strickland C, Yokoyama K, Buckner FS, Hamilton AD, Williams DK, Lombardo LJ, Floyd D, Gelb MH.: Efficacy, pharmacokinetics, and metabolism of tetrahydroquinoline inhibitors of Plasmodium falciparum protein farnesyltransferase. Antimicrob Agents Chemother, Volume 51 (10), 2007";ChEMBL
MM475463;MM475463;O=C(NC1Cc2ccccc2N(CC(O)CO)C1=O)c1cc2cc(Cl)sc2[nH]1;;419.89;1.92;10477191;;;CHEMBL234951;CACO;ECACO;25;0;"from A to B, <a href=https://www.ebi.ac.uk/chembl/assay_report_card/CHEMBL889960/  target=_blank>CHEMBL889960</a>";;;;;;;;;-4.54;;;;;;;;;;;;"Birch AM, Kenny PW, Oikonomakos NG, Otterbein L, Schofield P, Whittamore PR, Whalley DP.: Development of potent, orally active 1-substituted-3,4-dihydro-2-quinolone glycogen phosphorylase inhibitors. Bioorg Med Chem Lett, Volume 17 (2), 2007";ChEMBL
MM475494;MM475494;CCc1nc(N)nc(N)c1-c1ccc2c(c1)N(CCO)C(=O)C(C)(c1cc(F)cc(F)c1)O2;CAJZACFJOXOVAH-UHFFFAOYSA-N;455.47;2.78;;;;;CACO;ECACO;25;0;"from A to B, <a href=https://www.ebi.ac.uk/chembl/assay_report_card/CHEMBL898578/  target=_blank>CHEMBL898578</a>";;;;;;;;;-5.2;;;;;;;;;;;;"Powell NA, Ciske FL, Cai C, Holsworth DD, Mennen K, Van Huis CA, Jalaie M, Day J, Mastronardi M, McConnell P, Mochalkin I, Zhang E, Ryan MJ, Bryant J, Collard W, Ferreira S, Gu C, Collins R, Edmunds JJ.: Rational design of 6-(2,4-diaminopyrimidinyl)-1,4-benzoxazin-3-ones as small molecule renin inhibitors. Bioorg Med Chem, Volume 15 (17), 2007";ChEMBL
MM475495;MM475495;CC1OC(c2ccc(Cl)cc2)OCC1NC(=O)Cc1ccccc1;;345.83;3.5;44435079;;;CHEMBL238765;CACO;ECACO;25;0;"from A to B, <a href=https://www.ebi.ac.uk/chembl/assay_report_card/CHEMBL923278/  target=_blank>CHEMBL923278</a>";;;;;;;;;-4.99;;;;;;;;;;;;"Gu K, Bi L, Zhao M, Wang C, Ju J, Peng S.: Toward the development of chemoprevention agents. Part II: Chemo-enzymatic synthesis and anti-inflammatory activities of a new class of 5-amino-2-substitutedphenyl-1,3-dioxacycloalkanes. Bioorg Med Chem, Volume 15 (18), 2007";ChEMBL
MM475496;MM475496;CCc1nc(N)nc(N)c1-c1ccc2c(c1)N(CCCOC)C(=O)C(C)(c1ccc(F)c(F)c1)O2;UGOGQLRJKMMHMF-UHFFFAOYSA-N;483.52;3.83;;;;;CACO;ECACO;25;0;"from A to B, <a href=https://www.ebi.ac.uk/chembl/assay_report_card/CHEMBL898578/  target=_blank>CHEMBL898578</a>";;;;;;;;;-4.77;;;;;;;;;;;;"Powell NA, Ciske FL, Cai C, Holsworth DD, Mennen K, Van Huis CA, Jalaie M, Day J, Mastronardi M, McConnell P, Mochalkin I, Zhang E, Ryan MJ, Bryant J, Collard W, Ferreira S, Gu C, Collins R, Edmunds JJ.: Rational design of 6-(2,4-diaminopyrimidinyl)-1,4-benzoxazin-3-ones as small molecule renin inhibitors. Bioorg Med Chem, Volume 15 (17), 2007";ChEMBL
MM475497;MM475497;CC1OC(C=Cc2ccccc2)OCC1NC(=O)Cc1ccccc1;;337.42;3.19;44435127;;;CHEMBL238995;CACO;ECACO;25;0;"from A to B, <a href=https://www.ebi.ac.uk/chembl/assay_report_card/CHEMBL923278/  target=_blank>CHEMBL923278</a>";;;;;;;;;-5.06;;;;;;;;;;;;"Gu K, Bi L, Zhao M, Wang C, Ju J, Peng S.: Toward the development of chemoprevention agents. Part II: Chemo-enzymatic synthesis and anti-inflammatory activities of a new class of 5-amino-2-substitutedphenyl-1,3-dioxacycloalkanes. Bioorg Med Chem, Volume 15 (18), 2007";ChEMBL
MM475498;MM475498;CCc1nc(N)nc(N)c1-c1ccc2c(c1)N(CCNC(C)=O)C(=O)C(C)(c1ccc(Cl)cc1)O2;HOBWYNFQYPRIDL-UHFFFAOYSA-N;494.98;3.3;;;;;CACO;ECACO;25;0;"from A to B, <a href=https://www.ebi.ac.uk/chembl/assay_report_card/CHEMBL898578/  target=_blank>CHEMBL898578</a>";;;;;;;;;-4.47;;;;;;;;;;;;"Powell NA, Ciske FL, Cai C, Holsworth DD, Mennen K, Van Huis CA, Jalaie M, Day J, Mastronardi M, McConnell P, Mochalkin I, Zhang E, Ryan MJ, Bryant J, Collard W, Ferreira S, Gu C, Collins R, Edmunds JJ.: Rational design of 6-(2,4-diaminopyrimidinyl)-1,4-benzoxazin-3-ones as small molecule renin inhibitors. Bioorg Med Chem, Volume 15 (17), 2007";ChEMBL
MM475499;MM475499;CCc1nc(N)nc(N)c1-c1ccc2c(c1)N(CCNC(C)=O)C(=O)[C@@](C)(c1ccccc1)O2;UQHQDWYHACOCCN-RUZDIDTESA-N;460.54;2.65;;;;;CACO;ECACO;25;0;"from A to B, <a href=https://www.ebi.ac.uk/chembl/assay_report_card/CHEMBL898578/  target=_blank>CHEMBL898578</a>";;;;;;;;;-5.72;;;;;;;;;;;;"Powell NA, Ciske FL, Cai C, Holsworth DD, Mennen K, Van Huis CA, Jalaie M, Day J, Mastronardi M, McConnell P, Mochalkin I, Zhang E, Ryan MJ, Bryant J, Collard W, Ferreira S, Gu C, Collins R, Edmunds JJ.: Rational design of 6-(2,4-diaminopyrimidinyl)-1,4-benzoxazin-3-ones as small molecule renin inhibitors. Bioorg Med Chem, Volume 15 (17), 2007";ChEMBL
MM475500;MM475500;CCc1nc(N)nc(N)c1-c1ccc2c(c1)N(CCCOC)C(=O)C(CC)(c1cc(F)cc(F)c1)O2;ICDYHYNUXPDZEQ-UHFFFAOYSA-N;497.55;4.22;;;;;CACO;ECACO;25;0;"from A to B, <a href=https://www.ebi.ac.uk/chembl/assay_report_card/CHEMBL898578/  target=_blank>CHEMBL898578</a>";;;;;;;;;-4.77;;;;;;;;;;;;"Powell NA, Ciske FL, Cai C, Holsworth DD, Mennen K, Van Huis CA, Jalaie M, Day J, Mastronardi M, McConnell P, Mochalkin I, Zhang E, Ryan MJ, Bryant J, Collard W, Ferreira S, Gu C, Collins R, Edmunds JJ.: Rational design of 6-(2,4-diaminopyrimidinyl)-1,4-benzoxazin-3-ones as small molecule renin inhibitors. Bioorg Med Chem, Volume 15 (17), 2007";ChEMBL
MM475501;MM475501;C[C@@H]1O[C@@H](c2ccc([N+](=O)[O-])cc2)OC[C@H]1NC(=O)Cc1ccccc1;;356.38;2.76;;;;CHEMBL239623;CACO;ECACO;25;+1,-1;"from A to B, <a href=https://www.ebi.ac.uk/chembl/assay_report_card/CHEMBL923278/  target=_blank>CHEMBL923278</a>";;;;;;;;;-4.98;;;;;;;;;;;;"Gu K, Bi L, Zhao M, Wang C, Ju J, Peng S.: Toward the development of chemoprevention agents. Part II: Chemo-enzymatic synthesis and anti-inflammatory activities of a new class of 5-amino-2-substitutedphenyl-1,3-dioxacycloalkanes. Bioorg Med Chem, Volume 15 (18), 2007";ChEMBL
MM475502;MM475502;C[C@@H]1O[C@H](c2ccc([N+](=O)[O-])cc2)OC[C@H]1NC(=O)Cc1ccccc1;;356.38;2.76;;;;CHEMBL239838;CACO;ECACO;25;+1,-1;"from A to B, <a href=https://www.ebi.ac.uk/chembl/assay_report_card/CHEMBL923278/  target=_blank>CHEMBL923278</a>";;;;;;;;;-4.99;;;;;;;;;;;;"Gu K, Bi L, Zhao M, Wang C, Ju J, Peng S.: Toward the development of chemoprevention agents. Part II: Chemo-enzymatic synthesis and anti-inflammatory activities of a new class of 5-amino-2-substitutedphenyl-1,3-dioxacycloalkanes. Bioorg Med Chem, Volume 15 (18), 2007";ChEMBL
MM475503;MM475503;O=C(Cc1ccccc1)NC1COC(C=Cc2ccccc2)OC1;;323.39;2.8;44435125;;;CHEMBL239851;CACO;ECACO;25;0;"from A to B, <a href=https://www.ebi.ac.uk/chembl/assay_report_card/CHEMBL923278/  target=_blank>CHEMBL923278</a>";;;;;;;;;-5.05;;;;;;;;;;;;"Gu K, Bi L, Zhao M, Wang C, Ju J, Peng S.: Toward the development of chemoprevention agents. Part II: Chemo-enzymatic synthesis and anti-inflammatory activities of a new class of 5-amino-2-substitutedphenyl-1,3-dioxacycloalkanes. Bioorg Med Chem, Volume 15 (18), 2007";ChEMBL
Atenolol;MM00078;CC(C)NCC(O)COc1ccc(CC(N)=O)cc1;METKIMKYRPQLGS-GFCCVEGCSA-N;266.34;0.45;2249;DB00335;;CHEMBL24;CACO;ECACO;25;0;"from A to B, <a href=https://www.ebi.ac.uk/chembl/assay_report_card/CHEMBL936685/  target=_blank>CHEMBL936685</a>";;;;;;;;;-6.4;;;;;;;;;;;;"Li LS, Zhou Y, Murphy DE, Stankovic N, Zhao J, Dragovich PS, Bertolini T, Sun Z, Ayida B, Tran CV, Ruebsam F, Webber SE, Shah AM, Tsan M, Showalter RE, Patel R, Lebrun LA, Bartkowski DM, Nolan TG, Norris DA, Kamran R, Brooks J, Sergeeva MV, Kirkovsky L, Zhao Q, Kissinger CR.: Novel HCV NS5B polymerase inhibitors derived from 4-(1',1'-dioxo-1',4'-dihydro-1'lambda(6)-benzo[1',2',4']thiadiazin-3'-yl)-5-hydroxy-2H-pyridazin-3-ones. Part 3: Further optimization of the 2-, 6-, and 7'-substituents and initial pharmacokinetic assessments. Bioorg Med Chem Lett, Volume 18 (11), 2008";ChEMBL
Atenolol;MM00078;CC(C)NCC(O)COc1ccc(CC(N)=O)cc1;METKIMKYRPQLGS-GFCCVEGCSA-N;266.34;0.45;2249;DB00335;;CHEMBL24;CACO;ECACO;25;0;"from A to B, <a href=https://www.ebi.ac.uk/chembl/assay_report_card/CHEMBL935710/  target=_blank>CHEMBL935710</a>";;;;;;;;;-6.4;;;;;;;;;;;;"Sergeeva MV, Zhou Y, Bartkowski DM, Nolan TG, Norris DA, Okamoto E, Kirkovsky L, Kamran R, Lebrun LA, Tsan M, Patel R, Shah AM, Lardy M, Gobbi A, Li LS, Zhao J, Bertolini T, Stankovic N, Sun Z, Murphy DE, Webber SE, Dragovich PS.: Novel HCV NS5B polymerase inhibitors derived from 4-(1',1'-dioxo-1',4'-dihydro-1'lambda6-benzo[1',2',4']thiadiazin-3'-yl)-5-hydroxy-2H-pyridazin-3-ones: Part 4. Optimization of DMPK properties. Bioorg Med Chem Lett, Volume 18 (11), 2008";ChEMBL
Atenolol;MM00078;CC(C)NCC(O)COc1ccc(CC(N)=O)cc1;METKIMKYRPQLGS-GFCCVEGCSA-N;266.34;0.45;2249;DB00335;;CHEMBL24;CACO;ECACO;25;0;"from A to B, <a href=https://www.ebi.ac.uk/chembl/assay_report_card/CHEMBL927015/  target=_blank>CHEMBL927015</a>";;;;;;;;;-6.4;;;;;;;;;;;;"Ruebsam F, Webber SE, Tran MT, Tran CV, Murphy DE, Zhao J, Dragovich PS, Kim SH, Li LS, Zhou Y, Han Q, Kissinger CR, Showalter RE, Lardy M, Shah AM, Tsan M, Patel R, Lebrun LA, Kamran R, Sergeeva MV, Bartkowski DM, Nolan TG, Norris DA, Kirkovsky L.: Pyrrolo[1,2-b]pyridazin-2-ones as potent inhibitors of HCV NS5B polymerase. Bioorg Med Chem Lett, Volume 18 (12), 2008";ChEMBL
Atenolol;MM00078;CC(C)NCC(O)COc1ccc(CC(N)=O)cc1;METKIMKYRPQLGS-GFCCVEGCSA-N;266.34;0.45;2249;DB00335;;CHEMBL24;CACO;ECACO;25;0;"from A to B, <a href=https://www.ebi.ac.uk/chembl/assay_report_card/CHEMBL997017/  target=_blank>CHEMBL997017</a>";;;;;;;;;-6.4;;;;;;;;;;;;"Ellis DA, Blazel JK, Webber SE, Tran CV, Dragovich PS, Sun Z, Ruebsam F, McGuire HM, Xiang AX, Zhao J, Li LS, Zhou Y, Han Q, Kissinger CR, Showalter RE, Lardy M, Shah AM, Tsan M, Patel R, LeBrun LA, Kamran R, Bartkowski DM, Nolan TG, Norris DA, Sergeeva MV, Kirkovsky L.: 4-(1,1-Dioxo-1,4-dihydro-1lambda6-benzo[1,4]thiazin-3-yl)-5-hydroxy-2H-pyridazin-3-ones as potent inhibitors of HCV NS5B polymerase. Bioorg Med Chem Lett, Volume 18 (16), 2008";ChEMBL
Atenolol;MM00078;CC(C)NCC(O)COc1ccc(CC(N)=O)cc1;METKIMKYRPQLGS-GFCCVEGCSA-N;266.34;0.45;2249;DB00335;;CHEMBL24;CACO;ECACO;25;0;"from A to B, <a href=https://www.ebi.ac.uk/chembl/assay_report_card/CHEMBL953074/  target=_blank>CHEMBL953074</a>";;;;;;;;;-6.4;;;;;;;;;;;;"Ruebsam F, Sun Z, Ayida BK, Webber SE, Zhou Y, Zhao Q, Kissinger CR, Showalter RE, Shah AM, Tsan M, Patel R, Lebrun LA, Kamran R, Sergeeva MV, Bartkowski DM, Nolan TG, Norris DA, Kirkovsky L.: Hexahydro-pyrrolo- and hexahydro-1H-pyrido[1,2-b]pyridazin-2-ones as potent inhibitors of HCV NS5B polymerase. Bioorg Med Chem Lett, Volume 18 (18), 2008";ChEMBL
Atenolol;MM00078;CC(C)NCC(O)COc1ccc(CC(N)=O)cc1;METKIMKYRPQLGS-GFCCVEGCSA-N;266.34;0.45;2249;DB00335;;CHEMBL24;CACO;ECACO;25;0;"from A to B, <a href=https://www.ebi.ac.uk/chembl/assay_report_card/CHEMBL1115404/  target=_blank>CHEMBL1115404</a>";;;;;;;;;-6.39;;;;;;;;;;;;"Zhou Y, Liu G, Chen J, Reddy PS, Yoon IS, Zhang M, Zhang B, Barber JR, Ng SC.: Pyrimido[5,4-e][1,2,4]triazine-5,7(1H,6H)-dione derivatives: their cytoprotection effect from rotenone toxicity and preliminary DMPK properties. Bioorg Med Chem Lett, Volume 19 (21), 2009";ChEMBL
Atenolol;MM00078;CC(C)NCC(O)COc1ccc(CC(N)=O)cc1;METKIMKYRPQLGS-GFCCVEGCSA-N;266.34;0.45;2249;DB00335;;CHEMBL24;CACO;ECACO;25;0;"from A to B, <a href=https://www.ebi.ac.uk/chembl/assay_report_card/CHEMBL1050861/  target=_blank>CHEMBL1050861</a>";;;;;;;;;-5.92;;;;;;;;;;;;"Rai G, Sayed AA, Lea WA, Luecke HF, Chakrapani H, Prast-Nielsen S, Jadhav A, Leister W, Shen M, Inglese J, Austin CP, Keefer L, Arnér ES, Simeonov A, Maloney DJ, Williams DL, Thomas CJ.: Structure mechanism insights and the role of nitric oxide donation guide the development of oxadiazole-2-oxides as therapeutic agents against schistosomiasis. J Med Chem, Volume 52 (20), 2009";ChEMBL
MM475505;MM475505;CCc1nc(N)nc(N)c1-c1ccc2c(c1)N(CCNC(=O)CO)C(=O)C(C)(c1cc(F)cc(F)c1)O2;AHPZPEPKIIZAJI-UHFFFAOYSA-N;512.52;1.9;;;;;CACO;ECACO;25;0;"from A to B, <a href=https://www.ebi.ac.uk/chembl/assay_report_card/CHEMBL898578/  target=_blank>CHEMBL898578</a>";;;;;;;;;-5.82;;;;;;;;;;;;"Powell NA, Ciske FL, Cai C, Holsworth DD, Mennen K, Van Huis CA, Jalaie M, Day J, Mastronardi M, McConnell P, Mochalkin I, Zhang E, Ryan MJ, Bryant J, Collard W, Ferreira S, Gu C, Collins R, Edmunds JJ.: Rational design of 6-(2,4-diaminopyrimidinyl)-1,4-benzoxazin-3-ones as small molecule renin inhibitors. Bioorg Med Chem, Volume 15 (17), 2007";ChEMBL
MM475509;MM475509;CCc1nc(N)nc(N)c1-c1ccc2c(c1)N(CCC(=O)NC)C(=O)C(C)(c1cc(F)cc(F)c1)O2;YHWFSBOTUBZNFO-UHFFFAOYSA-N;496.52;2.93;;;;;CACO;ECACO;25;0;"from A to B, <a href=https://www.ebi.ac.uk/chembl/assay_report_card/CHEMBL898578/  target=_blank>CHEMBL898578</a>";;;;;;;;;-5.29;;;;;;;;;;;;"Powell NA, Ciske FL, Cai C, Holsworth DD, Mennen K, Van Huis CA, Jalaie M, Day J, Mastronardi M, McConnell P, Mochalkin I, Zhang E, Ryan MJ, Bryant J, Collard W, Ferreira S, Gu C, Collins R, Edmunds JJ.: Rational design of 6-(2,4-diaminopyrimidinyl)-1,4-benzoxazin-3-ones as small molecule renin inhibitors. Bioorg Med Chem, Volume 15 (17), 2007";ChEMBL
MM475510;MM475510;C=C(c1ccccc1)C1OCC(N)CO1;;205.26;1.4;44438013;;;CHEMBL240618;CACO;ECACO;25;0;"from A to B, <a href=https://www.ebi.ac.uk/chembl/assay_report_card/CHEMBL923278/  target=_blank>CHEMBL923278</a>";;;;;;;;;-4.99;;;;;;;;;;;;"Gu K, Bi L, Zhao M, Wang C, Ju J, Peng S.: Toward the development of chemoprevention agents. Part II: Chemo-enzymatic synthesis and anti-inflammatory activities of a new class of 5-amino-2-substitutedphenyl-1,3-dioxacycloalkanes. Bioorg Med Chem, Volume 15 (18), 2007";ChEMBL
MM475512;MM475512;CCc1nc(N)nc(N)c1-c1ccc2c(c1)N(CCNS(C)(=O)=O)C(=O)C(C)(c1cc(F)cc(F)c1)O2;WAMCIKGNVJZNAS-UHFFFAOYSA-N;532.57;2.34;;;;;CACO;ECACO;25;0;"from A to B, <a href=https://www.ebi.ac.uk/chembl/assay_report_card/CHEMBL898578/  target=_blank>CHEMBL898578</a>";;;;;;;;;-5.74;;;;;;;;;;;;"Powell NA, Ciske FL, Cai C, Holsworth DD, Mennen K, Van Huis CA, Jalaie M, Day J, Mastronardi M, McConnell P, Mochalkin I, Zhang E, Ryan MJ, Bryant J, Collard W, Ferreira S, Gu C, Collins R, Edmunds JJ.: Rational design of 6-(2,4-diaminopyrimidinyl)-1,4-benzoxazin-3-ones as small molecule renin inhibitors. Bioorg Med Chem, Volume 15 (17), 2007";ChEMBL
MM475515;MM475515;CCc1nc(N)nc(N)c1-c1ccc2c(c1)N(CCNC(=O)OC)C(=O)C(C)(c1cc(F)cc(F)c1)O2;MNEZWRIUOPOINT-UHFFFAOYSA-N;512.52;3.15;;;;;CACO;ECACO;25;0;"from A to B, <a href=https://www.ebi.ac.uk/chembl/assay_report_card/CHEMBL898578/  target=_blank>CHEMBL898578</a>";;;;;;;;;-5.68;;;;;;;;;;;;"Powell NA, Ciske FL, Cai C, Holsworth DD, Mennen K, Van Huis CA, Jalaie M, Day J, Mastronardi M, McConnell P, Mochalkin I, Zhang E, Ryan MJ, Bryant J, Collard W, Ferreira S, Gu C, Collins R, Edmunds JJ.: Rational design of 6-(2,4-diaminopyrimidinyl)-1,4-benzoxazin-3-ones as small molecule renin inhibitors. Bioorg Med Chem, Volume 15 (17), 2007";ChEMBL
MM475518;MM475518;CCc1nc(N)nc(N)c1-c1ccc2c(c1)N(CCOCC(F)(F)F)C(=O)C(C)(c1cc(F)cc(F)c1)O2;FJQHVRLZNOVKOO-UHFFFAOYSA-N;537.49;4.37;;;;;CACO;ECACO;25;0;"from A to B, <a href=https://www.ebi.ac.uk/chembl/assay_report_card/CHEMBL898578/  target=_blank>CHEMBL898578</a>";;;;;;;;;-5.55;;;;;;;;;;;;"Powell NA, Ciske FL, Cai C, Holsworth DD, Mennen K, Van Huis CA, Jalaie M, Day J, Mastronardi M, McConnell P, Mochalkin I, Zhang E, Ryan MJ, Bryant J, Collard W, Ferreira S, Gu C, Collins R, Edmunds JJ.: Rational design of 6-(2,4-diaminopyrimidinyl)-1,4-benzoxazin-3-ones as small molecule renin inhibitors. Bioorg Med Chem, Volume 15 (17), 2007";ChEMBL
MM475519;MM475519;CCc1nc(N)nc(N)c1-c1ccc2c(c1)N(CCCC(F)(F)F)C(=O)C(C)(c1cc(F)cc(F)c1)O2;UERMDDSMFCIPGD-UHFFFAOYSA-N;521.49;5.13;;;;;CACO;ECACO;25;0;"from A to B, <a href=https://www.ebi.ac.uk/chembl/assay_report_card/CHEMBL898578/  target=_blank>CHEMBL898578</a>";;;;;;;;;-5.05;;;;;;;;;;;;"Powell NA, Ciske FL, Cai C, Holsworth DD, Mennen K, Van Huis CA, Jalaie M, Day J, Mastronardi M, McConnell P, Mochalkin I, Zhang E, Ryan MJ, Bryant J, Collard W, Ferreira S, Gu C, Collins R, Edmunds JJ.: Rational design of 6-(2,4-diaminopyrimidinyl)-1,4-benzoxazin-3-ones as small molecule renin inhibitors. Bioorg Med Chem, Volume 15 (17), 2007";ChEMBL
MM475533;MM475533;CC(C)CC(CCNC(=O)C(C)CCNC(=O)C(CCN)C(C)C)C(=O)O;;385.55;2;23631915;;;CHEMBL244341;CACO;ECACO;25;0;"from A to B, <a href=https://www.ebi.ac.uk/chembl/assay_report_card/CHEMBL896856/  target=_blank>CHEMBL896856</a>";;;;;;;;;-7.59;;;;;;;;;;;;"Hubatsch I, Arvidsson PI, Seebach D, Luthman K, Artursson P.: Beta- and gamma-di- and tripeptides as potential substrates for the oligopeptide transporter hPepT1. J Med Chem, Volume 50 (21), 2007";ChEMBL
MM475533;MM475533;CC(C)CC(CCNC(=O)C(C)CCNC(=O)C(CCN)C(C)C)C(=O)O;;385.55;2;23631915;;;CHEMBL244341;CACO;ECACO;25;0;"from A to B, <a href=https://www.ebi.ac.uk/chembl/assay_report_card/CHEMBL896857/  target=_blank>CHEMBL896857</a>";;;;;;;;;-7.47;;;;;;;;;;;;"Hubatsch I, Arvidsson PI, Seebach D, Luthman K, Artursson P.: Beta- and gamma-di- and tripeptides as potential substrates for the oligopeptide transporter hPepT1. J Med Chem, Volume 50 (21), 2007";ChEMBL
MM475534;MM475534;CN(C(=O)CCC(C1CCCCC1)N1Cc2cc(Oc3ccccc3)ccc2N=C1N)C1CCCCC1;;502.7;6.76;16741239;;;CHEMBL244347;CACO;ECACO;25;0;"from A to B, <a href=https://www.ebi.ac.uk/chembl/assay_report_card/CHEMBL895732/  target=_blank>CHEMBL895732</a>";;;;;;;;;-6.55;;;;;;;;;;;;"Baxter EW, Conway KA, Kennis L, Bischoff F, Mercken MH, Winter HL, Reynolds CH, Tounge BA, Luo C, Scott MK, Huang Y, Braeken M, Pieters SM, Berthelot DJ, Masure S, Bruinzeel WD, Jordan AD, Parker MH, Boyd RE, Qu J, Alexander RS, Brenneman DE, Reitz AB.: 2-Amino-3,4-dihydroquinazolines as inhibitors of BACE-1 (beta-site APP cleaving enzyme): Use of structure based design to convert a micromolar hit into a nanomolar lead. J Med Chem, Volume 50 (18), 2007";ChEMBL
MM475538;MM475538;CC(CC(=O)O)NC(=O)CC(C)NC(=O)CC(N)CO;;289.33;-1.43;23630623;;;CHEMBL244542;CACO;ECACO;25;0;"from A to B, <a href=https://www.ebi.ac.uk/chembl/assay_report_card/CHEMBL896856/  target=_blank>CHEMBL896856</a>";;;;;;;;;-7.37;;;;;;;;;;;;"Hubatsch I, Arvidsson PI, Seebach D, Luthman K, Artursson P.: Beta- and gamma-di- and tripeptides as potential substrates for the oligopeptide transporter hPepT1. J Med Chem, Volume 50 (21), 2007";ChEMBL
MM475538;MM475538;CC(CC(=O)O)NC(=O)CC(C)NC(=O)CC(N)CO;;289.33;-1.43;23630623;;;CHEMBL244542;CACO;ECACO;25;0;"from A to B, <a href=https://www.ebi.ac.uk/chembl/assay_report_card/CHEMBL896857/  target=_blank>CHEMBL896857</a>";;;;;;;;;-7.36;;;;;;;;;;;;"Hubatsch I, Arvidsson PI, Seebach D, Luthman K, Artursson P.: Beta- and gamma-di- and tripeptides as potential substrates for the oligopeptide transporter hPepT1. J Med Chem, Volume 50 (21), 2007";ChEMBL
MM475539;MM475539;NCCCCC(CC(=O)NC(CC(=O)O)Cc1ccccc1)NC(=O)CC(N)CO;;422.53;-0.1;23630625;;;CHEMBL244543;CACO;ECACO;25;0;"from A to B, <a href=https://www.ebi.ac.uk/chembl/assay_report_card/CHEMBL896856/  target=_blank>CHEMBL896856</a>";;;;;;;;;-7.51;;;;;;;;;;;;"Hubatsch I, Arvidsson PI, Seebach D, Luthman K, Artursson P.: Beta- and gamma-di- and tripeptides as potential substrates for the oligopeptide transporter hPepT1. J Med Chem, Volume 50 (21), 2007";ChEMBL
MM475539;MM475539;NCCCCC(CC(=O)NC(CC(=O)O)Cc1ccccc1)NC(=O)CC(N)CO;;422.53;-0.1;23630625;;;CHEMBL244543;CACO;ECACO;25;0;"from A to B, <a href=https://www.ebi.ac.uk/chembl/assay_report_card/CHEMBL896857/  target=_blank>CHEMBL896857</a>";;;;;;;;;-7.43;;;;;;;;;;;;"Hubatsch I, Arvidsson PI, Seebach D, Luthman K, Artursson P.: Beta- and gamma-di- and tripeptides as potential substrates for the oligopeptide transporter hPepT1. J Med Chem, Volume 50 (21), 2007";ChEMBL
MM475540;MM475540;CC(N)CC(=O)NC(CCCCN)CC(=O)NC(CC(=O)O)Cc1ccccc1;;406.53;0.93;23630621;;;CHEMBL244544;CACO;ECACO;25;0;"from A to B, <a href=https://www.ebi.ac.uk/chembl/assay_report_card/CHEMBL896856/  target=_blank>CHEMBL896856</a>";;;;;;;;;-7.41;;;;;;;;;;;;"Hubatsch I, Arvidsson PI, Seebach D, Luthman K, Artursson P.: Beta- and gamma-di- and tripeptides as potential substrates for the oligopeptide transporter hPepT1. J Med Chem, Volume 50 (21), 2007";ChEMBL
MM475540;MM475540;CC(N)CC(=O)NC(CCCCN)CC(=O)NC(CC(=O)O)Cc1ccccc1;;406.53;0.93;23630621;;;CHEMBL244544;CACO;ECACO;25;0;"from A to B, <a href=https://www.ebi.ac.uk/chembl/assay_report_card/CHEMBL896857/  target=_blank>CHEMBL896857</a>";;;;;;;;;-7.31;;;;;;;;;;;;"Hubatsch I, Arvidsson PI, Seebach D, Luthman K, Artursson P.: Beta- and gamma-di- and tripeptides as potential substrates for the oligopeptide transporter hPepT1. J Med Chem, Volume 50 (21), 2007";ChEMBL
MM475541;MM475541;CC(C)CC(CNC(=O)C(C)CNC(=O)C(CN)C(C)C)C(=O)O;;343.47;0.83;23630627;;;CHEMBL244545;CACO;ECACO;25;0;"from A to B, <a href=https://www.ebi.ac.uk/chembl/assay_report_card/CHEMBL896856/  target=_blank>CHEMBL896856</a>";;;;;;;;;-7.64;;;;;;;;;;;;"Hubatsch I, Arvidsson PI, Seebach D, Luthman K, Artursson P.: Beta- and gamma-di- and tripeptides as potential substrates for the oligopeptide transporter hPepT1. J Med Chem, Volume 50 (21), 2007";ChEMBL
MM475541;MM475541;CC(C)CC(CNC(=O)C(C)CNC(=O)C(CN)C(C)C)C(=O)O;;343.47;0.83;23630627;;;CHEMBL244545;CACO;ECACO;25;0;"from A to B, <a href=https://www.ebi.ac.uk/chembl/assay_report_card/CHEMBL896857/  target=_blank>CHEMBL896857</a>";;;;;;;;;-7.62;;;;;;;;;;;;"Hubatsch I, Arvidsson PI, Seebach D, Luthman K, Artursson P.: Beta- and gamma-di- and tripeptides as potential substrates for the oligopeptide transporter hPepT1. J Med Chem, Volume 50 (21), 2007";ChEMBL
MM475543;MM475543;CC(N)CC(=O)NC(CCCCN)CC(=O)O;;245.32;-0.19;23630629;;;CHEMBL244755;CACO;ECACO;25;0;"from A to B, <a href=https://www.ebi.ac.uk/chembl/assay_report_card/CHEMBL896857/  target=_blank>CHEMBL896857</a>";;;;;;;;;-7.43;;;;;;;;;;;;"Hubatsch I, Arvidsson PI, Seebach D, Luthman K, Artursson P.: Beta- and gamma-di- and tripeptides as potential substrates for the oligopeptide transporter hPepT1. J Med Chem, Volume 50 (21), 2007";ChEMBL
MM475544;MM475544;CC(C)CC(CC(=O)O)NC(=O)C(C)CN;;230.31;0.59;23630523;;;CHEMBL244776;CACO;ECACO;25;0;"from A to B, <a href=https://www.ebi.ac.uk/chembl/assay_report_card/CHEMBL896856/  target=_blank>CHEMBL896856</a>";;;;;;;;;-7.26;;;;;;;;;;;;"Hubatsch I, Arvidsson PI, Seebach D, Luthman K, Artursson P.: Beta- and gamma-di- and tripeptides as potential substrates for the oligopeptide transporter hPepT1. J Med Chem, Volume 50 (21), 2007";ChEMBL
MM475544;MM475544;CC(C)CC(CC(=O)O)NC(=O)C(C)CN;;230.31;0.59;23630523;;;CHEMBL244776;CACO;ECACO;25;0;"from A to B, <a href=https://www.ebi.ac.uk/chembl/assay_report_card/CHEMBL896857/  target=_blank>CHEMBL896857</a>";;;;;;;;;-7.02;;;;;;;;;;;;"Hubatsch I, Arvidsson PI, Seebach D, Luthman K, Artursson P.: Beta- and gamma-di- and tripeptides as potential substrates for the oligopeptide transporter hPepT1. J Med Chem, Volume 50 (21), 2007";ChEMBL
MM475545;MM475545;CC(C)CC(CC(=O)O)NC(=O)CC(C)N;;230.31;0.73;23630821;;;CHEMBL244777;CACO;ECACO;25;0;"from A to B, <a href=https://www.ebi.ac.uk/chembl/assay_report_card/CHEMBL896856/  target=_blank>CHEMBL896856</a>";;;;;;;;;-6.54;;;;;;;;;;;;"Hubatsch I, Arvidsson PI, Seebach D, Luthman K, Artursson P.: Beta- and gamma-di- and tripeptides as potential substrates for the oligopeptide transporter hPepT1. J Med Chem, Volume 50 (21), 2007";ChEMBL
MM475545;MM475545;CC(C)CC(CC(=O)O)NC(=O)CC(C)N;;230.31;0.73;23630821;;;CHEMBL244777;CACO;ECACO;25;0;"from A to B, <a href=https://www.ebi.ac.uk/chembl/assay_report_card/CHEMBL896857/  target=_blank>CHEMBL896857</a>";;;;;;;;;-6.21;;;;;;;;;;;;"Hubatsch I, Arvidsson PI, Seebach D, Luthman K, Artursson P.: Beta- and gamma-di- and tripeptides as potential substrates for the oligopeptide transporter hPepT1. J Med Chem, Volume 50 (21), 2007";ChEMBL
MM475546;MM475546;Cc1cc(O)cc(C)c1CC(N)C(=O)NCCCCc1[nH]c(=O)c(CCCCNC(=O)C(N)Cc2c(C)cc(O)cc2C)nc1C;UJIOBODRTCVNNE-UHFFFAOYSA-N;634.82;3.15;10122565;;;CHEMBL245395;CACO;ECACO;25;0;"from A to B, <a href=https://www.ebi.ac.uk/chembl/assay_report_card/CHEMBL886598/  target=_blank>CHEMBL886598</a>";;;;;;;;;-6.07;;;;;;;;;;;;"Koda Y, Shiotani K, Toth I, Tsuda Y, Okada Y, Blanchfield JT.: Comparison of the in vitro apparent permeability and stability of opioid mimetic compounds with that of the native peptide. Bioorg Med Chem Lett, Volume 17 (7), 2007";ChEMBL
MM475547;MM475547;Cc1cc(O)cc(C)c1CC(N)C(=O)NCCCc1[nH]c(=O)c(CCCNC(=O)C(N)Cc2c(C)cc(O)cc2C)nc1C;BRPKWONOOSMJCB-UHFFFAOYSA-N;606.77;2.37;10393901;;;CHEMBL245396;CACO;ECACO;25;0;"from A to B, <a href=https://www.ebi.ac.uk/chembl/assay_report_card/CHEMBL886598/  target=_blank>CHEMBL886598</a>";;;;;;;;;-6.26;;;;;;;;;;;;"Koda Y, Shiotani K, Toth I, Tsuda Y, Okada Y, Blanchfield JT.: Comparison of the in vitro apparent permeability and stability of opioid mimetic compounds with that of the native peptide. Bioorg Med Chem Lett, Volume 17 (7), 2007";ChEMBL
MM475548;MM475548;C=C(c1ccccc1)[C@H]1OC[C@H](N)CO1;;205.26;1.4;;;;CHEMBL245415;CACO;ECACO;25;0;"from A to B, <a href=https://www.ebi.ac.uk/chembl/assay_report_card/CHEMBL923278/  target=_blank>CHEMBL923278</a>";;;;;;;;;-4.99;;;;;;;;;;;;"Gu K, Bi L, Zhao M, Wang C, Ju J, Peng S.: Toward the development of chemoprevention agents. Part II: Chemo-enzymatic synthesis and anti-inflammatory activities of a new class of 5-amino-2-substitutedphenyl-1,3-dioxacycloalkanes. Bioorg Med Chem, Volume 15 (18), 2007";ChEMBL
MM475549;MM475549;COc1cc2c(Cc3nc4c([nH]3)c(=O)n(C)c(=O)n4CC(C)C)cnc(C)c2cc1OC;OSJLVSRRJGXCFA-UHFFFAOYSA-N;437.5;2.54;10225063;;;CHEMBL245649;CACO;ECACO;25;0;"from A to B, <a href=https://www.ebi.ac.uk/chembl/assay_report_card/CHEMBL886857/  target=_blank>CHEMBL886857</a>";;;;;;;;;-6.05;;;;;;;;;;;;"Arnold NJ, Arnold R, Beer D, Bhalay G, Collingwood SP, Craig S, Devereux N, Dodds M, Dunstan AR, Fairhurst RA, Farr D, Fullerton JD, Glen A, Gomez S, Haberthuer S, Hatto JD, Howes C, Jones D, Keller TH, Leuenberger B, Moser HE, Muller I, Naef R, Nicklin PA, Sandham DA, Turner KL, Tweed MF, Watson SJ, Zurini M.: Potent and selective xanthine-based inhibitors of phosphodiesterase 5. Bioorg Med Chem Lett, Volume 17 (8), 2007";ChEMBL
MM475550;MM475550;C[C@@H]1O[C@@H](c2ccc([N+](=O)[O-])cc2)OC[C@H]1N;;238.24;1.36;;;;CHEMBL245809;CACO;ECACO;25;+1,-1;"from A to B, <a href=https://www.ebi.ac.uk/chembl/assay_report_card/CHEMBL923278/  target=_blank>CHEMBL923278</a>";;;;;;;;;-4.89;;;;;;;;;;;;"Gu K, Bi L, Zhao M, Wang C, Ju J, Peng S.: Toward the development of chemoprevention agents. Part II: Chemo-enzymatic synthesis and anti-inflammatory activities of a new class of 5-amino-2-substitutedphenyl-1,3-dioxacycloalkanes. Bioorg Med Chem, Volume 15 (18), 2007";ChEMBL
MM475551;MM475551;COc1cc2cncc(Cc3nc4c([nH]3)c(=O)n(C)c(=O)n4CC(C)(C)C)c2cc1OC;JRWLXSPESACIOZ-UHFFFAOYSA-N;437.5;2.63;10113972;;;CHEMBL245841;CACO;ECACO;25;0;"from A to B, <a href=https://www.ebi.ac.uk/chembl/assay_report_card/CHEMBL886857/  target=_blank>CHEMBL886857</a>";;;;;;;;;-4.63;;;;;;;;;;;;"Arnold NJ, Arnold R, Beer D, Bhalay G, Collingwood SP, Craig S, Devereux N, Dodds M, Dunstan AR, Fairhurst RA, Farr D, Fullerton JD, Glen A, Gomez S, Haberthuer S, Hatto JD, Howes C, Jones D, Keller TH, Leuenberger B, Moser HE, Muller I, Naef R, Nicklin PA, Sandham DA, Turner KL, Tweed MF, Watson SJ, Zurini M.: Potent and selective xanthine-based inhibitors of phosphodiesterase 5. Bioorg Med Chem Lett, Volume 17 (8), 2007";ChEMBL
MM475552;MM475552;Cc1c(CN(CCc2ccccn2)C2CCN(C(=O)c3c(F)cccc3F)CC2)c(=O)n(-c2ccc(F)cc2)n1C;QBWZPEOEGKGJMR-UHFFFAOYSA-N;563.62;4.65;44440435;;;CHEMBL245956;CACO;ECACO;25;0;"from A to B, <a href=https://www.ebi.ac.uk/chembl/assay_report_card/CHEMBL888299/  target=_blank>CHEMBL888299</a>";;;;;;;;;-5.85;;;;;;;;;;;;"Pégurier C, Collart P, Danhaive P, Defays S, Gillard M, Gilson F, Kogej T, Pasau P, Van Houtvin N, Van Thuyne M, van Keulen B.: Pyrazolone methylamino piperidine derivatives as novel CCR3 antagonists. Bioorg Med Chem Lett, Volume 17 (15), 2007";ChEMBL
MM475556;MM475556;CN(C)CC1CCC(CNc2nc(NCc3ccccc3Cl)ncc2[N+](=O)[O-])CC1;;432.96;4.43;;;;CHEMBL246160;CACO;ECACO;25;+1,-1;"from A to B, <a href=https://www.ebi.ac.uk/chembl/assay_report_card/CHEMBL902310/  target=_blank>CHEMBL902310</a>";;;;;;;;;-4.97;;;;;;;;;;;;"Cywin CL, Dahmann G, Prokopowicz AS, Young ER, Magolda RL, Cardozo MG, Cogan DA, Disalvo D, Ginn JD, Kashem MA, Wolak JP, Homon CA, Farrell TM, Grbic H, Hu H, Kaplita PV, Liu LH, Spero DM, Jeanfavre DD, O'Shea KM, White DM, Woska JR, Brown ML.: Discovery of potent and selective PKC-theta inhibitors. Bioorg Med Chem Lett, Volume 17 (1), 2007";ChEMBL
MM475557;MM475557;O=[N+]([O-])c1cnc(NCc2ccccc2Cl)nc1NCC1CCNCC1;;376.85;3.06;;;;CHEMBL246161;CACO;ECACO;25;+1,-1;"from A to B, <a href=https://www.ebi.ac.uk/chembl/assay_report_card/CHEMBL902310/  target=_blank>CHEMBL902310</a>";;;;;;;;;-5.09;;;;;;;;;;;;"Cywin CL, Dahmann G, Prokopowicz AS, Young ER, Magolda RL, Cardozo MG, Cogan DA, Disalvo D, Ginn JD, Kashem MA, Wolak JP, Homon CA, Farrell TM, Grbic H, Hu H, Kaplita PV, Liu LH, Spero DM, Jeanfavre DD, O'Shea KM, White DM, Woska JR, Brown ML.: Discovery of potent and selective PKC-theta inhibitors. Bioorg Med Chem Lett, Volume 17 (1), 2007";ChEMBL
MM475561;MM475561;COc1ccc2cncc(Cc3nc4c([nH]3)c(=O)n(C)c(=O)n4CC(C)C)c2c1;NMTKJEZOWHRAQY-UHFFFAOYSA-N;393.45;2.23;9821924;;;CHEMBL246470;CACO;ECACO;25;0;"from A to B, <a href=https://www.ebi.ac.uk/chembl/assay_report_card/CHEMBL886857/  target=_blank>CHEMBL886857</a>";;;;;;;;;-4.86;;;;;;;;;;;;"Arnold NJ, Arnold R, Beer D, Bhalay G, Collingwood SP, Craig S, Devereux N, Dodds M, Dunstan AR, Fairhurst RA, Farr D, Fullerton JD, Glen A, Gomez S, Haberthuer S, Hatto JD, Howes C, Jones D, Keller TH, Leuenberger B, Moser HE, Muller I, Naef R, Nicklin PA, Sandham DA, Turner KL, Tweed MF, Watson SJ, Zurini M.: Potent and selective xanthine-based inhibitors of phosphodiesterase 5. Bioorg Med Chem Lett, Volume 17 (8), 2007";ChEMBL
MM475564;MM475564;C[C@@H]1O[C@@H](c2ccc(Cl)cc2)OC[C@H]1NC(=O)Cc1ccccc1;;345.83;3.5;;;;CHEMBL246853;CACO;ECACO;25;0;"from A to B, <a href=https://www.ebi.ac.uk/chembl/assay_report_card/CHEMBL923278/  target=_blank>CHEMBL923278</a>";;;;;;;;;-4.99;;;;;;;;;;;;"Gu K, Bi L, Zhao M, Wang C, Ju J, Peng S.: Toward the development of chemoprevention agents. Part II: Chemo-enzymatic synthesis and anti-inflammatory activities of a new class of 5-amino-2-substitutedphenyl-1,3-dioxacycloalkanes. Bioorg Med Chem, Volume 15 (18), 2007";ChEMBL
MM475567;MM475567;NCC1CCC(CNc2nc(NCc3ccccc3Cl)ncc2[N+](=O)[O-])CC1;;404.9;3.83;;;;CHEMBL246970;CACO;ECACO;25;+1,-1;"from A to B, <a href=https://www.ebi.ac.uk/chembl/assay_report_card/CHEMBL902310/  target=_blank>CHEMBL902310</a>";;;;;;;;;-5.4;;;;;;;;;;;;"Cywin CL, Dahmann G, Prokopowicz AS, Young ER, Magolda RL, Cardozo MG, Cogan DA, Disalvo D, Ginn JD, Kashem MA, Wolak JP, Homon CA, Farrell TM, Grbic H, Hu H, Kaplita PV, Liu LH, Spero DM, Jeanfavre DD, O'Shea KM, White DM, Woska JR, Brown ML.: Discovery of potent and selective PKC-theta inhibitors. Bioorg Med Chem Lett, Volume 17 (1), 2007";ChEMBL
MM475568;MM475568;COc1cccc(CN(c2c(Cl)c(Cl)cc3[nH]c(=O)c(=O)[nH]c23)S(C)(=O)=O)c1;PWASGNSKQZGAOY-UHFFFAOYSA-N;444.3;2.5;44443061;;;CHEMBL247035;CACO;ECACO;25;0;"from A to B, <a href=https://www.ebi.ac.uk/chembl/assay_report_card/CHEMBL887327/  target=_blank>CHEMBL887327</a>";;;;;;;;;-5.46;;;;;;;;;;;;"Deur C, Agrawal AK, Baum H, Booth J, Bove S, Brieland J, Bunker A, Connolly C, Cornicelli J, Dumin J, Finzel B, Gan X, Guppy S, Kamilar G, Kilgore K, Lee P, Loi CM, Lou Z, Morris M, Philippe L, Przybranowski S, Riley F, Samas B, Sanchez B, Tecle H, Wang Z, Welch K, Wilson M, Yates K.: N-(6,7-dichloro-2,3-dioxo-1,2,3,4-tetrahydroquinoxalin-5-yl)-N-alkylsulfonamides as peripherally restricted N-methyl-D-aspartate receptor antagonists for the treatment of pain. Bioorg Med Chem Lett, Volume 17 (16), 2007";ChEMBL
MM475569;MM475569;COc1cc2cncc(Cc3nc4c([nH]3)c(=O)n(C)c(=O)n4CC(C)C)c2cc1OC;YYABRKAKAPIQDP-UHFFFAOYSA-N;423.47;2.24;10113055;;;CHEMBL247065;CACO;ECACO;25;0;"from A to B, <a href=https://www.ebi.ac.uk/chembl/assay_report_card/CHEMBL886857/  target=_blank>CHEMBL886857</a>";;;;;;;;;-4.5;;;;;;;;;;;;"Arnold NJ, Arnold R, Beer D, Bhalay G, Collingwood SP, Craig S, Devereux N, Dodds M, Dunstan AR, Fairhurst RA, Farr D, Fullerton JD, Glen A, Gomez S, Haberthuer S, Hatto JD, Howes C, Jones D, Keller TH, Leuenberger B, Moser HE, Muller I, Naef R, Nicklin PA, Sandham DA, Turner KL, Tweed MF, Watson SJ, Zurini M.: Potent and selective xanthine-based inhibitors of phosphodiesterase 5. Bioorg Med Chem Lett, Volume 17 (8), 2007";ChEMBL
MM475572;MM475572;C=C(c1ccccc1)C1OCC(NC(=O)Cc2ccccc2)C(C)O1;;337.42;3.19;44438159;;;CHEMBL247259;CACO;ECACO;25;0;"from A to B, <a href=https://www.ebi.ac.uk/chembl/assay_report_card/CHEMBL923278/  target=_blank>CHEMBL923278</a>";;;;;;;;;-5.05;;;;;;;;;;;;"Gu K, Bi L, Zhao M, Wang C, Ju J, Peng S.: Toward the development of chemoprevention agents. Part II: Chemo-enzymatic synthesis and anti-inflammatory activities of a new class of 5-amino-2-substitutedphenyl-1,3-dioxacycloalkanes. Bioorg Med Chem, Volume 15 (18), 2007";ChEMBL
MM475574;MM475574;Cc1cc(=O)c2c(O)cc(OC3OC(COC(=O)C4=CCC(C(C)(C)O)CC4)C(O)C(O)C3O)cc2o1;;520.53;1.03;10625791;;;CHEMBL247486;CACO;ECACO;25;0;"from A to B, <a href=https://www.ebi.ac.uk/chembl/assay_report_card/CHEMBL885398/  target=_blank>CHEMBL885398</a>";;;;;;;;;-5.13;;;;;;;;;;;;"Yang XW, Guo QM, Wang Y, Xu W, Tian L, Tian XJ.: Intestinal permeability of antivirus constituents from the fruits of Eucalyptus globulus Labill. in Caco-2 Cell Model. Bioorg Med Chem Lett, Volume 17 (4), 2007";ChEMBL
MM475574;MM475574;Cc1cc(=O)c2c(O)cc(OC3OC(COC(=O)C4=CCC(C(C)(C)O)CC4)C(O)C(O)C3O)cc2o1;;520.53;1.03;10625791;;;CHEMBL247486;CACO;ECACO;25;0;"from A to B, <a href=https://www.ebi.ac.uk/chembl/assay_report_card/CHEMBL885399/  target=_blank>CHEMBL885399</a>";;;;;;;;;-5.22;;;;;;;;;;;;"Yang XW, Guo QM, Wang Y, Xu W, Tian L, Tian XJ.: Intestinal permeability of antivirus constituents from the fruits of Eucalyptus globulus Labill. in Caco-2 Cell Model. Bioorg Med Chem Lett, Volume 17 (4), 2007";ChEMBL
MM475574;MM475574;Cc1cc(=O)c2c(O)cc(OC3OC(COC(=O)C4=CCC(C(C)(C)O)CC4)C(O)C(O)C3O)cc2o1;;520.53;1.03;10625791;;;CHEMBL247486;CACO;ECACO;25;0;"from A to B, <a href=https://www.ebi.ac.uk/chembl/assay_report_card/CHEMBL885400/  target=_blank>CHEMBL885400</a>";;;;;;;;;-5.32;;;;;;;;;;;;"Yang XW, Guo QM, Wang Y, Xu W, Tian L, Tian XJ.: Intestinal permeability of antivirus constituents from the fruits of Eucalyptus globulus Labill. in Caco-2 Cell Model. Bioorg Med Chem Lett, Volume 17 (4), 2007";ChEMBL
MM475574;MM475574;Cc1cc(=O)c2c(O)cc(OC3OC(COC(=O)C4=CCC(C(C)(C)O)CC4)C(O)C(O)C3O)cc2o1;;520.53;1.03;10625791;;;CHEMBL247486;CACO;ECACO;25;0;"from A to B, <a href=https://www.ebi.ac.uk/chembl/assay_report_card/CHEMBL885407/  target=_blank>CHEMBL885407</a>";;;;;;;;;-6.05;;;;;;;;;;;;"Yang XW, Guo QM, Wang Y, Xu W, Tian L, Tian XJ.: Intestinal permeability of antivirus constituents from the fruits of Eucalyptus globulus Labill. in Caco-2 Cell Model. Bioorg Med Chem Lett, Volume 17 (4), 2007";ChEMBL
MM475574;MM475574;Cc1cc(=O)c2c(O)cc(OC3OC(COC(=O)C4=CCC(C(C)(C)O)CC4)C(O)C(O)C3O)cc2o1;;520.53;1.03;10625791;;;CHEMBL247486;CACO;ECACO;25;0;"from A to B, <a href=https://www.ebi.ac.uk/chembl/assay_report_card/CHEMBL885420/  target=_blank>CHEMBL885420</a>";;;;;;;;;-5.75;;;;;;;;;;;;"Yang XW, Guo QM, Wang Y, Xu W, Tian L, Tian XJ.: Intestinal permeability of antivirus constituents from the fruits of Eucalyptus globulus Labill. in Caco-2 Cell Model. Bioorg Med Chem Lett, Volume 17 (4), 2007";ChEMBL
MM475576;MM475576;Cc1c(CN(CCc2ccc(Cl)cc2)C2CCN(C(=O)c3c(F)cccc3F)CC2)c(=O)n(-c2ccc(F)cc2)n1C;GKXOETCIZGEUHB-UHFFFAOYSA-N;597.08;5.9;44440402;;;CHEMBL248179;CACO;ECACO;25;0;"from A to B, <a href=https://www.ebi.ac.uk/chembl/assay_report_card/CHEMBL888299/  target=_blank>CHEMBL888299</a>";;;;;;;;;-5.09;;;;;;;;;;;;"Pégurier C, Collart P, Danhaive P, Defays S, Gillard M, Gilson F, Kogej T, Pasau P, Van Houtvin N, Van Thuyne M, van Keulen B.: Pyrazolone methylamino piperidine derivatives as novel CCR3 antagonists. Bioorg Med Chem Lett, Volume 17 (15), 2007";ChEMBL
MM475578;MM475578;CS(=O)(=O)N(Cc1cccc(F)c1)c1c(Cl)c(Cl)cc2[nH]c(=O)c(=O)[nH]c12;GWNYHPWPLXZFSR-UHFFFAOYSA-N;432.26;2.63;44443062;;;CHEMBL248436;CACO;ECACO;25;0;"from A to B, <a href=https://www.ebi.ac.uk/chembl/assay_report_card/CHEMBL887327/  target=_blank>CHEMBL887327</a>";;;;;;;;;-5.76;;;;;;;;;;;;"Deur C, Agrawal AK, Baum H, Booth J, Bove S, Brieland J, Bunker A, Connolly C, Cornicelli J, Dumin J, Finzel B, Gan X, Guppy S, Kamilar G, Kilgore K, Lee P, Loi CM, Lou Z, Morris M, Philippe L, Przybranowski S, Riley F, Samas B, Sanchez B, Tecle H, Wang Z, Welch K, Wilson M, Yates K.: N-(6,7-dichloro-2,3-dioxo-1,2,3,4-tetrahydroquinoxalin-5-yl)-N-alkylsulfonamides as peripherally restricted N-methyl-D-aspartate receptor antagonists for the treatment of pain. Bioorg Med Chem Lett, Volume 17 (16), 2007";ChEMBL
MM475579;MM475579;CS(=O)(=O)N(CC1CCCO1)c1c(Cl)c(Cl)cc2[nH]c(=O)c(=O)[nH]c12;SWFKXMNJMPJPOU-UHFFFAOYSA-N;408.26;1.47;44443065;;;CHEMBL248438;CACO;ECACO;25;0;"from A to B, <a href=https://www.ebi.ac.uk/chembl/assay_report_card/CHEMBL887327/  target=_blank>CHEMBL887327</a>";;;;;;;;;-5.82;;;;;;;;;;;;"Deur C, Agrawal AK, Baum H, Booth J, Bove S, Brieland J, Bunker A, Connolly C, Cornicelli J, Dumin J, Finzel B, Gan X, Guppy S, Kamilar G, Kilgore K, Lee P, Loi CM, Lou Z, Morris M, Philippe L, Przybranowski S, Riley F, Samas B, Sanchez B, Tecle H, Wang Z, Welch K, Wilson M, Yates K.: N-(6,7-dichloro-2,3-dioxo-1,2,3,4-tetrahydroquinoxalin-5-yl)-N-alkylsulfonamides as peripherally restricted N-methyl-D-aspartate receptor antagonists for the treatment of pain. Bioorg Med Chem Lett, Volume 17 (16), 2007";ChEMBL
MM475580;MM475580;COCCN(c1c(Cl)c(Cl)cc2[nH]c(=O)c(=O)[nH]c12)S(C)(=O)=O;RPBJCAXNIIFIFD-UHFFFAOYSA-N;382.23;0.94;44443067;;;CHEMBL248439;CACO;ECACO;25;0;"from A to B, <a href=https://www.ebi.ac.uk/chembl/assay_report_card/CHEMBL887327/  target=_blank>CHEMBL887327</a>";;;;;;;;;-8;;;;;;;;;;;;"Deur C, Agrawal AK, Baum H, Booth J, Bove S, Brieland J, Bunker A, Connolly C, Cornicelli J, Dumin J, Finzel B, Gan X, Guppy S, Kamilar G, Kilgore K, Lee P, Loi CM, Lou Z, Morris M, Philippe L, Przybranowski S, Riley F, Samas B, Sanchez B, Tecle H, Wang Z, Welch K, Wilson M, Yates K.: N-(6,7-dichloro-2,3-dioxo-1,2,3,4-tetrahydroquinoxalin-5-yl)-N-alkylsulfonamides as peripherally restricted N-methyl-D-aspartate receptor antagonists for the treatment of pain. Bioorg Med Chem Lett, Volume 17 (16), 2007";ChEMBL
MM475581;MM475581;CCOCCN(c1c(Cl)c(Cl)cc2[nH]c(=O)c(=O)[nH]c12)S(C)(=O)=O;QWEWDXWTGWPOGC-UHFFFAOYSA-N;396.25;1.33;44443071;;;CHEMBL248442;CACO;ECACO;25;0;"from A to B, <a href=https://www.ebi.ac.uk/chembl/assay_report_card/CHEMBL887327/  target=_blank>CHEMBL887327</a>";;;;;;;;;-5;;;;;;;;;;;;"Deur C, Agrawal AK, Baum H, Booth J, Bove S, Brieland J, Bunker A, Connolly C, Cornicelli J, Dumin J, Finzel B, Gan X, Guppy S, Kamilar G, Kilgore K, Lee P, Loi CM, Lou Z, Morris M, Philippe L, Przybranowski S, Riley F, Samas B, Sanchez B, Tecle H, Wang Z, Welch K, Wilson M, Yates K.: N-(6,7-dichloro-2,3-dioxo-1,2,3,4-tetrahydroquinoxalin-5-yl)-N-alkylsulfonamides as peripherally restricted N-methyl-D-aspartate receptor antagonists for the treatment of pain. Bioorg Med Chem Lett, Volume 17 (16), 2007";ChEMBL
MM475582;MM475582;CS(=O)(=O)N(CCC(F)(F)F)c1c(Cl)c(Cl)cc2[nH]c(=O)c(=O)[nH]c12;YFJDLZNHABYACJ-UHFFFAOYSA-N;420.2;2.24;44443073;;;CHEMBL248443;CACO;ECACO;25;0;"from A to B, <a href=https://www.ebi.ac.uk/chembl/assay_report_card/CHEMBL887327/  target=_blank>CHEMBL887327</a>";;;;;;;;;-6.39;;;;;;;;;;;;"Deur C, Agrawal AK, Baum H, Booth J, Bove S, Brieland J, Bunker A, Connolly C, Cornicelli J, Dumin J, Finzel B, Gan X, Guppy S, Kamilar G, Kilgore K, Lee P, Loi CM, Lou Z, Morris M, Philippe L, Przybranowski S, Riley F, Samas B, Sanchez B, Tecle H, Wang Z, Welch K, Wilson M, Yates K.: N-(6,7-dichloro-2,3-dioxo-1,2,3,4-tetrahydroquinoxalin-5-yl)-N-alkylsulfonamides as peripherally restricted N-methyl-D-aspartate receptor antagonists for the treatment of pain. Bioorg Med Chem Lett, Volume 17 (16), 2007";ChEMBL
MM475583;MM475583;COCCN(c1c(Cl)c(C)cc2[nH]c(=O)c(=O)[nH]c12)S(C)(=O)=O;BCDCSJRVBJPNBV-UHFFFAOYSA-N;361.81;0.59;44443075;;;CHEMBL248444;CACO;ECACO;25;0;"from A to B, <a href=https://www.ebi.ac.uk/chembl/assay_report_card/CHEMBL887327/  target=_blank>CHEMBL887327</a>";;;;;;;;;-6.85;;;;;;;;;;;;"Deur C, Agrawal AK, Baum H, Booth J, Bove S, Brieland J, Bunker A, Connolly C, Cornicelli J, Dumin J, Finzel B, Gan X, Guppy S, Kamilar G, Kilgore K, Lee P, Loi CM, Lou Z, Morris M, Philippe L, Przybranowski S, Riley F, Samas B, Sanchez B, Tecle H, Wang Z, Welch K, Wilson M, Yates K.: N-(6,7-dichloro-2,3-dioxo-1,2,3,4-tetrahydroquinoxalin-5-yl)-N-alkylsulfonamides as peripherally restricted N-methyl-D-aspartate receptor antagonists for the treatment of pain. Bioorg Med Chem Lett, Volume 17 (16), 2007";ChEMBL
MM475584;MM475584;COCCN(c1c(C)c(Cl)cc2[nH]c(=O)c(=O)[nH]c12)S(C)(=O)=O;QAEGBUUUKIIAML-UHFFFAOYSA-N;361.81;0.59;44443077;;;CHEMBL248445;CACO;ECACO;25;0;"from A to B, <a href=https://www.ebi.ac.uk/chembl/assay_report_card/CHEMBL887327/  target=_blank>CHEMBL887327</a>";;;;;;;;;-8;;;;;;;;;;;;"Deur C, Agrawal AK, Baum H, Booth J, Bove S, Brieland J, Bunker A, Connolly C, Cornicelli J, Dumin J, Finzel B, Gan X, Guppy S, Kamilar G, Kilgore K, Lee P, Loi CM, Lou Z, Morris M, Philippe L, Przybranowski S, Riley F, Samas B, Sanchez B, Tecle H, Wang Z, Welch K, Wilson M, Yates K.: N-(6,7-dichloro-2,3-dioxo-1,2,3,4-tetrahydroquinoxalin-5-yl)-N-alkylsulfonamides as peripherally restricted N-methyl-D-aspartate receptor antagonists for the treatment of pain. Bioorg Med Chem Lett, Volume 17 (16), 2007";ChEMBL
MM475585;MM475585;CCc1cc2[nH]c(=O)c(=O)[nH]c2c(N(CCCOC)S(C)(=O)=O)c1Cl;YIKXBWQRHOAYSJ-UHFFFAOYSA-N;389.86;1.23;44443078;;;CHEMBL248446;CACO;ECACO;25;0;"from A to B, <a href=https://www.ebi.ac.uk/chembl/assay_report_card/CHEMBL887327/  target=_blank>CHEMBL887327</a>";;;;;;;;;-8;;;;;;;;;;;;"Deur C, Agrawal AK, Baum H, Booth J, Bove S, Brieland J, Bunker A, Connolly C, Cornicelli J, Dumin J, Finzel B, Gan X, Guppy S, Kamilar G, Kilgore K, Lee P, Loi CM, Lou Z, Morris M, Philippe L, Przybranowski S, Riley F, Samas B, Sanchez B, Tecle H, Wang Z, Welch K, Wilson M, Yates K.: N-(6,7-dichloro-2,3-dioxo-1,2,3,4-tetrahydroquinoxalin-5-yl)-N-alkylsulfonamides as peripherally restricted N-methyl-D-aspartate receptor antagonists for the treatment of pain. Bioorg Med Chem Lett, Volume 17 (16), 2007";ChEMBL
MM475613;MM475613;CN(c1ccc2c(c1)S(=O)(=O)N=C(c1c(O)c(-c3cccs3)nn(CCC(C)(C)C)c1=O)N2)S(C)(=O)=O;XISZSFJEMVMFNT-UHFFFAOYSA-N;565.7;3.07;136036597;;;CHEMBL253534;CACO;ECACO;25;0;"from A to B, <a href=https://www.ebi.ac.uk/chembl/assay_report_card/CHEMBL935710/  target=_blank>CHEMBL935710</a>";;;;;;;;;-8;;;;;;;;;;;;"Sergeeva MV, Zhou Y, Bartkowski DM, Nolan TG, Norris DA, Okamoto E, Kirkovsky L, Kamran R, Lebrun LA, Tsan M, Patel R, Shah AM, Lardy M, Gobbi A, Li LS, Zhao J, Bertolini T, Stankovic N, Sun Z, Murphy DE, Webber SE, Dragovich PS.: Novel HCV NS5B polymerase inhibitors derived from 4-(1',1'-dioxo-1',4'-dihydro-1'lambda6-benzo[1',2',4']thiadiazin-3'-yl)-5-hydroxy-2H-pyridazin-3-ones: Part 4. Optimization of DMPK properties. Bioorg Med Chem Lett, Volume 18 (11), 2008";ChEMBL
MM475614;MM475614;CC(C)CCn1c(=O)c(=C2Nc3ccccc3S(=O)(=O)N2)c(=O)c2cccn21;MKIYWVGTUYBHQX-UHFFFAOYSA-N;400.46;2.41;24860259;;;CHEMBL253960;CACO;ECACO;25;0;"from A to B, <a href=https://www.ebi.ac.uk/chembl/assay_report_card/CHEMBL927015/  target=_blank>CHEMBL927015</a>";;;;;;;;;-4.96;;;;;;;;;;;;"Ruebsam F, Webber SE, Tran MT, Tran CV, Murphy DE, Zhao J, Dragovich PS, Kim SH, Li LS, Zhou Y, Han Q, Kissinger CR, Showalter RE, Lardy M, Shah AM, Tsan M, Patel R, Lebrun LA, Kamran R, Sergeeva MV, Bartkowski DM, Nolan TG, Norris DA, Kirkovsky L.: Pyrrolo[1,2-b]pyridazin-2-ones as potent inhibitors of HCV NS5B polymerase. Bioorg Med Chem Lett, Volume 18 (12), 2008";ChEMBL
MM475617;MM475617;N#Cc1ccc(NCc2cccc3cccnc23)c(F)c1CC(=O)NCCON=C(N)N;MEXWAUWKSSBECY-UHFFFAOYSA-N;435.46;1.93;44448740;;;CHEMBL254353;CACO;ECACO;25;0;"from A to B, <a href=https://www.ebi.ac.uk/chembl/assay_report_card/CHEMBL934697/  target=_blank>CHEMBL934697</a>";;;;;;;;;-5.77;;;;;;;;;;;;"Kreutter KD, Lu T, Lee L, Giardino EC, Patel S, Huang H, Xu G, Fitzgerald M, Haertlein BJ, Mohan V, Crysler C, Eisennagel S, Dasgupta M, McMillan M, Spurlino JC, Huebert ND, Maryanoff BE, Tomczuk BE, Damiano BP, Player MR.: Orally efficacious thrombin inhibitors with cyanofluorophenylacetamide as the P2 motif. Bioorg Med Chem Lett, Volume 18 (9), 2008";ChEMBL
MM475619;MM475619;CC(C)CCn1nc(CC2CC2)c(O)c(C2=NS(=O)(=O)c3cc(NS(C)(=O)=O)ccc3N2)c1=O;DKHIVVANSNYJCZ-UHFFFAOYSA-N;509.61;1.88;135907844;;;CHEMBL254755;CACO;ECACO;25;0;"from A to B, <a href=https://www.ebi.ac.uk/chembl/assay_report_card/CHEMBL935710/  target=_blank>CHEMBL935710</a>";;;;;;;;;-6.31;;;;;;;;;;;;"Sergeeva MV, Zhou Y, Bartkowski DM, Nolan TG, Norris DA, Okamoto E, Kirkovsky L, Kamran R, Lebrun LA, Tsan M, Patel R, Shah AM, Lardy M, Gobbi A, Li LS, Zhao J, Bertolini T, Stankovic N, Sun Z, Murphy DE, Webber SE, Dragovich PS.: Novel HCV NS5B polymerase inhibitors derived from 4-(1',1'-dioxo-1',4'-dihydro-1'lambda6-benzo[1',2',4']thiadiazin-3'-yl)-5-hydroxy-2H-pyridazin-3-ones: Part 4. Optimization of DMPK properties. Bioorg Med Chem Lett, Volume 18 (11), 2008";ChEMBL
MM475620;MM475620;CC(C)CCn1nc(CC2CCCC2)c(O)c(C2=NS(=O)(=O)c3cc(NS(C)(=O)=O)ccc3N2)c1=O;AZMJERYDFSFNSJ-UHFFFAOYSA-N;537.66;2.66;135856998;;;CHEMBL254756;CACO;ECACO;25;0;"from A to B, <a href=https://www.ebi.ac.uk/chembl/assay_report_card/CHEMBL935710/  target=_blank>CHEMBL935710</a>";;;;;;;;;-6.07;;;;;;;;;;;;"Sergeeva MV, Zhou Y, Bartkowski DM, Nolan TG, Norris DA, Okamoto E, Kirkovsky L, Kamran R, Lebrun LA, Tsan M, Patel R, Shah AM, Lardy M, Gobbi A, Li LS, Zhao J, Bertolini T, Stankovic N, Sun Z, Murphy DE, Webber SE, Dragovich PS.: Novel HCV NS5B polymerase inhibitors derived from 4-(1',1'-dioxo-1',4'-dihydro-1'lambda6-benzo[1',2',4']thiadiazin-3'-yl)-5-hydroxy-2H-pyridazin-3-ones: Part 4. Optimization of DMPK properties. Bioorg Med Chem Lett, Volume 18 (11), 2008";ChEMBL
MM475621;MM475621;Cc1ccc(C(F)(F)CNc2ccc(C#N)c(CC(=O)NCCON=C(N)N)c2F)nc1;;449.44;1.68;44448299;;;CHEMBL254784;CACO;ECACO;25;0;"from A to B, <a href=https://www.ebi.ac.uk/chembl/assay_report_card/CHEMBL934697/  target=_blank>CHEMBL934697</a>";;;;;;;;;-6.7;;;;;;;;;;;;"Kreutter KD, Lu T, Lee L, Giardino EC, Patel S, Huang H, Xu G, Fitzgerald M, Haertlein BJ, Mohan V, Crysler C, Eisennagel S, Dasgupta M, McMillan M, Spurlino JC, Huebert ND, Maryanoff BE, Tomczuk BE, Damiano BP, Player MR.: Orally efficacious thrombin inhibitors with cyanofluorophenylacetamide as the P2 motif. Bioorg Med Chem Lett, Volume 18 (9), 2008";ChEMBL
MM475623;MM475623;CC(C)CCn1c(=O)c(=C2Nc3ccc(N(C)S(C)(=O)=O)cc3S(=O)(=O)N2)c(=O)c2cccn21;YJRVHWRIEFZUAP-UHFFFAOYSA-N;507.59;1.81;24858072;;;CHEMBL254968;CACO;ECACO;25;0;"from A to B, <a href=https://www.ebi.ac.uk/chembl/assay_report_card/CHEMBL927015/  target=_blank>CHEMBL927015</a>";;;;;;;;;-5.37;;;;;;;;;;;;"Ruebsam F, Webber SE, Tran MT, Tran CV, Murphy DE, Zhao J, Dragovich PS, Kim SH, Li LS, Zhou Y, Han Q, Kissinger CR, Showalter RE, Lardy M, Shah AM, Tsan M, Patel R, Lebrun LA, Kamran R, Sergeeva MV, Bartkowski DM, Nolan TG, Norris DA, Kirkovsky L.: Pyrrolo[1,2-b]pyridazin-2-ones as potent inhibitors of HCV NS5B polymerase. Bioorg Med Chem Lett, Volume 18 (12), 2008";ChEMBL
MM475627;MM475627;CN(c1ccc2c(c1)S(=O)(=O)NC(=c1c(=O)c3cccn3n(Cc3ccc(F)cc3)c1=O)N2)S(C)(=O)=O;MMEQHJXFBYSCEV-UHFFFAOYSA-N;545.57;1.95;24858226;;;CHEMBL255107;CACO;ECACO;25;0;"from A to B, <a href=https://www.ebi.ac.uk/chembl/assay_report_card/CHEMBL927015/  target=_blank>CHEMBL927015</a>";;;;;;;;;-6.05;;;;;;;;;;;;"Ruebsam F, Webber SE, Tran MT, Tran CV, Murphy DE, Zhao J, Dragovich PS, Kim SH, Li LS, Zhou Y, Han Q, Kissinger CR, Showalter RE, Lardy M, Shah AM, Tsan M, Patel R, Lebrun LA, Kamran R, Sergeeva MV, Bartkowski DM, Nolan TG, Norris DA, Kirkovsky L.: Pyrrolo[1,2-b]pyridazin-2-ones as potent inhibitors of HCV NS5B polymerase. Bioorg Med Chem Lett, Volume 18 (12), 2008";ChEMBL
MM475628;MM475628;O=C(NC1CCOCC1C(=O)NO)c1ccc(Cc2c(C(F)(F)F)nc3ccccn23)cc1;UWFRWYGMHWPIMQ-JKSUJKDBSA-N;462.43;2.58;25138269;;;CHEMBL255160;CACO;ECACO;25;0;"from A to B, <a href=https://www.ebi.ac.uk/chembl/assay_report_card/CHEMBL934171/  target=_blank>CHEMBL934171</a>";;;;;;;;;-7.3;;;;;;;;;;;;"Lu Z, Ott GR, Anand R, Liu RQ, Covington MB, Vaddi K, Qian M, Newton RC, Christ DD, Trzaskos J, Duan JJ.: Potent, selective, orally bioavailable inhibitors of tumor necrosis factor-alpha converting enzyme (TACE): discovery of indole, benzofuran, imidazopyridine and pyrazolopyridine P1' substituents. Bioorg Med Chem Lett, Volume 18 (6), 2008";ChEMBL
MM475632;MM475632;Cc1cc[n+]([O-])c(C)c1C(=O)N1CCC(C)(N2CCC(N(c3ccccc3)c3cccnc3)CC2)CC1;;499.66;4.63;;;;CHEMBL255858;CACO;ECACO;25;+1,-1;"from A to B, <a href=https://www.ebi.ac.uk/chembl/assay_report_card/CHEMBL928578/  target=_blank>CHEMBL928578</a>";;;;;;;;;-6.18;;;;;;;;;;;;"Thoma G, Beerli C, Bigaud M, Bruns C, Cooke NG, Streiff MB, Zerwes HG.: Reduced cardiac side-effect potential by introduction of polar groups: discovery of NIBR-1282, an orally bioavailable CCR5 antagonist which is active in vivo. Bioorg Med Chem Lett, Volume 18 (6), 2008";ChEMBL
MM475633;MM475633;Cc1cc(COc2ccc(C(=O)NC3CN(C(=O)OC(C)C)CC3C(=O)NO)cc2)c2ccccc2n1;BEMAWHUATSKVDF-LADGPHEKSA-N;506.56;3.2;44455498;;;CHEMBL256598;CACO;ECACO;25;0;"from A to B, <a href=https://www.ebi.ac.uk/chembl/assay_report_card/CHEMBL930649/  target=_blank>CHEMBL930649</a>";;;;;;;;;-5.77;;;;;;;;;;;;"Ott GR, Asakawa N, Lu Z, Liu RQ, Covington MB, Vaddi K, Qian M, Newton RC, Christ DD, Traskos JM, Decicco CP, Duan JJ.: Alpha,beta-cyclic-beta-benzamido hydroxamic acids: novel templates for the design, synthesis, and evaluation of selective inhibitors of TNF-alpha converting enzyme (TACE). Bioorg Med Chem Lett, Volume 18 (2), 2008";ChEMBL
MM475634;MM475634;Cc1cc(COc2ccc(C(=O)NC3COCC3C(=O)NO)cc2)c2ccccc2n1;NASYCHQKVXYGPX-PZJWPPBQSA-N;421.45;2.37;10320002;;;CHEMBL256621;CACO;ECACO;25;0;"from A to B, <a href=https://www.ebi.ac.uk/chembl/assay_report_card/CHEMBL930649/  target=_blank>CHEMBL930649</a>";;;;;;;;;-6;;;;;;;;;;;;"Ott GR, Asakawa N, Lu Z, Liu RQ, Covington MB, Vaddi K, Qian M, Newton RC, Christ DD, Traskos JM, Decicco CP, Duan JJ.: Alpha,beta-cyclic-beta-benzamido hydroxamic acids: novel templates for the design, synthesis, and evaluation of selective inhibitors of TNF-alpha converting enzyme (TACE). Bioorg Med Chem Lett, Volume 18 (2), 2008";ChEMBL
MM475635;MM475635;COc1cnn(C)c(=O)c1-c1ccc(CC(CO)NC(=O)c2c(Cl)cccc2Cl)cc1;DSRYWCFQVDZVPR-HNNXBMFYSA-N;462.33;3.1;44454686;;;CHEMBL256639;CACO;ECACO;25;0;"from A to B, <a href=https://www.ebi.ac.uk/chembl/assay_report_card/CHEMBL947948/  target=_blank>CHEMBL947948</a>";;;;;;;;;-5.6;;;;;;;;;;;;"Gong Y, Kent Barbay J, Kimball ES, Santulli RJ, Carolyn Fisher M, Dyatkin AB, Miskowski TA, Hornby PJ, He W.: Synthesis and SAR of pyridazinone-substituted phenylalanine amide alpha4 integrin antagonists. Bioorg Med Chem Lett, Volume 18 (4), 2008";ChEMBL
MM475637;MM475637;Cc1cc(COc2ccc(C(=O)NC3CN(S(C)(=O)=O)CC3C(=O)NO)cc2)c2ccccc2n1;YURFZWNLXFKRFO-RBBKRZOGSA-N;498.56;1.62;10163857;;;CHEMBL256681;CACO;ECACO;25;0;"from A to B, <a href=https://www.ebi.ac.uk/chembl/assay_report_card/CHEMBL930649/  target=_blank>CHEMBL930649</a>";;;;;;;;;-6.52;;;;;;;;;;;;"Ott GR, Asakawa N, Lu Z, Liu RQ, Covington MB, Vaddi K, Qian M, Newton RC, Christ DD, Traskos JM, Decicco CP, Duan JJ.: Alpha,beta-cyclic-beta-benzamido hydroxamic acids: novel templates for the design, synthesis, and evaluation of selective inhibitors of TNF-alpha converting enzyme (TACE). Bioorg Med Chem Lett, Volume 18 (2), 2008";ChEMBL
MM475638;MM475638;COC(=O)N1CC(NC(=O)c2ccc(OCc3cc(C)nc4ccccc34)cc2)C(C(=O)NO)C1;TTZQPUPTVJAEIJ-RBBKRZOGSA-N;478.51;2.42;44455499;;;CHEMBL256805;CACO;ECACO;25;0;"from A to B, <a href=https://www.ebi.ac.uk/chembl/assay_report_card/CHEMBL930649/  target=_blank>CHEMBL930649</a>";;;;;;;;;-6.4;;;;;;;;;;;;"Ott GR, Asakawa N, Lu Z, Liu RQ, Covington MB, Vaddi K, Qian M, Newton RC, Christ DD, Traskos JM, Decicco CP, Duan JJ.: Alpha,beta-cyclic-beta-benzamido hydroxamic acids: novel templates for the design, synthesis, and evaluation of selective inhibitors of TNF-alpha converting enzyme (TACE). Bioorg Med Chem Lett, Volume 18 (2), 2008";ChEMBL
MM475639;MM475639;Cc1cccc(S(=O)(=O)Nc2ccc(C)n(CC(=O)NCCON=C(N)N)c2=O)c1;GHCPCZIUEYRYJT-UHFFFAOYSA-N;436.49;-0.2;15887336;;;CHEMBL256941;CACO;ECACO;25;0;"from A to B, <a href=https://www.ebi.ac.uk/chembl/assay_report_card/CHEMBL934697/  target=_blank>CHEMBL934697</a>";;;;;;;;;-6.15;;;;;;;;;;;;"Kreutter KD, Lu T, Lee L, Giardino EC, Patel S, Huang H, Xu G, Fitzgerald M, Haertlein BJ, Mohan V, Crysler C, Eisennagel S, Dasgupta M, McMillan M, Spurlino JC, Huebert ND, Maryanoff BE, Tomczuk BE, Damiano BP, Player MR.: Orally efficacious thrombin inhibitors with cyanofluorophenylacetamide as the P2 motif. Bioorg Med Chem Lett, Volume 18 (9), 2008";ChEMBL
MM475640;MM475640;CC(C)(C)CCn1nc(C2=CCCC2)c(O)c(C2=NS(=O)(=O)c3cc(NS(C)(=O)=O)ccc3N2)c1=O;RWNCIIKAMWVKLG-UHFFFAOYSA-N;535.65;2.88;136036589;;;CHEMBL256945;CACO;ECACO;25;0;"from A to B, <a href=https://www.ebi.ac.uk/chembl/assay_report_card/CHEMBL935710/  target=_blank>CHEMBL935710</a>";;;;;;;;;-7.52;;;;;;;;;;;;"Sergeeva MV, Zhou Y, Bartkowski DM, Nolan TG, Norris DA, Okamoto E, Kirkovsky L, Kamran R, Lebrun LA, Tsan M, Patel R, Shah AM, Lardy M, Gobbi A, Li LS, Zhao J, Bertolini T, Stankovic N, Sun Z, Murphy DE, Webber SE, Dragovich PS.: Novel HCV NS5B polymerase inhibitors derived from 4-(1',1'-dioxo-1',4'-dihydro-1'lambda6-benzo[1',2',4']thiadiazin-3'-yl)-5-hydroxy-2H-pyridazin-3-ones: Part 4. Optimization of DMPK properties. Bioorg Med Chem Lett, Volume 18 (11), 2008";ChEMBL
MM475642;MM475642;CC(C)CCn1nc(C(C)(C)C)c(O)c(C2=NS(=O)(=O)c3cc(NS(C)(=O)=O)ccc3N2)c1=O;AZUZVBMJZJMIEH-UHFFFAOYSA-N;511.63;2.23;135928828;;;CHEMBL257356;CACO;ECACO;25;0;"from A to B, <a href=https://www.ebi.ac.uk/chembl/assay_report_card/CHEMBL935710/  target=_blank>CHEMBL935710</a>";;;;;;;;;-6.24;;;;;;;;;;;;"Sergeeva MV, Zhou Y, Bartkowski DM, Nolan TG, Norris DA, Okamoto E, Kirkovsky L, Kamran R, Lebrun LA, Tsan M, Patel R, Shah AM, Lardy M, Gobbi A, Li LS, Zhao J, Bertolini T, Stankovic N, Sun Z, Murphy DE, Webber SE, Dragovich PS.: Novel HCV NS5B polymerase inhibitors derived from 4-(1',1'-dioxo-1',4'-dihydro-1'lambda6-benzo[1',2',4']thiadiazin-3'-yl)-5-hydroxy-2H-pyridazin-3-ones: Part 4. Optimization of DMPK properties. Bioorg Med Chem Lett, Volume 18 (11), 2008";ChEMBL
MM475646;MM475646;Cc1cc(COc2ccc(C(=O)NC3CC(N(C)C)CC3C(=O)NO)cc2)c2ccccc2n1;LSEJNPTVWWYHHK-NGYIFUPDSA-N;462.55;3.07;44455612;;;CHEMBL257531;CACO;ECACO;25;0;"from A to B, <a href=https://www.ebi.ac.uk/chembl/assay_report_card/CHEMBL930649/  target=_blank>CHEMBL930649</a>";;;;;;;;;-7;;;;;;;;;;;;"Ott GR, Asakawa N, Lu Z, Liu RQ, Covington MB, Vaddi K, Qian M, Newton RC, Christ DD, Traskos JM, Decicco CP, Duan JJ.: Alpha,beta-cyclic-beta-benzamido hydroxamic acids: novel templates for the design, synthesis, and evaluation of selective inhibitors of TNF-alpha converting enzyme (TACE). Bioorg Med Chem Lett, Volume 18 (2), 2008";ChEMBL
MM475647;MM475647;N#Cc1ccc(NCC(F)(F)c2ccccn2)c(F)c1CC(=O)NCCON=C(N)N;;435.41;1.37;9867609;;;CHEMBL257543;CACO;ECACO;25;0;"from A to B, <a href=https://www.ebi.ac.uk/chembl/assay_report_card/CHEMBL934697/  target=_blank>CHEMBL934697</a>";;;;;;;;;-6.05;;;;;;;;;;;;"Kreutter KD, Lu T, Lee L, Giardino EC, Patel S, Huang H, Xu G, Fitzgerald M, Haertlein BJ, Mohan V, Crysler C, Eisennagel S, Dasgupta M, McMillan M, Spurlino JC, Huebert ND, Maryanoff BE, Tomczuk BE, Damiano BP, Player MR.: Orally efficacious thrombin inhibitors with cyanofluorophenylacetamide as the P2 motif. Bioorg Med Chem Lett, Volume 18 (9), 2008";ChEMBL
MM475648;MM475648;CC(C)CCn1nc(CC(C)(C)C)c(O)c(C2=NS(=O)(=O)c3cc(NS(C)(=O)=O)ccc3N2)c1=O;PEBFIVIHOBYECP-UHFFFAOYSA-N;525.65;2.52;135907834;;;CHEMBL257568;CACO;ECACO;25;0;"from A to B, <a href=https://www.ebi.ac.uk/chembl/assay_report_card/CHEMBL935710/  target=_blank>CHEMBL935710</a>";;;;;;;;;-6.54;;;;;;;;;;;;"Sergeeva MV, Zhou Y, Bartkowski DM, Nolan TG, Norris DA, Okamoto E, Kirkovsky L, Kamran R, Lebrun LA, Tsan M, Patel R, Shah AM, Lardy M, Gobbi A, Li LS, Zhao J, Bertolini T, Stankovic N, Sun Z, Murphy DE, Webber SE, Dragovich PS.: Novel HCV NS5B polymerase inhibitors derived from 4-(1',1'-dioxo-1',4'-dihydro-1'lambda6-benzo[1',2',4']thiadiazin-3'-yl)-5-hydroxy-2H-pyridazin-3-ones: Part 4. Optimization of DMPK properties. Bioorg Med Chem Lett, Volume 18 (11), 2008";ChEMBL
MM475650;MM475650;CS(=O)(=O)Nc1ccc2c(c1)S(=O)(=O)N=C(c1c(O)c(C3=CCCC3)nn(CCC3CC3)c1=O)N2;CLCXAYCXXFZWQG-UHFFFAOYSA-N;519.61;2.25;136036581;;;CHEMBL257750;CACO;ECACO;25;0;"from A to B, <a href=https://www.ebi.ac.uk/chembl/assay_report_card/CHEMBL935710/  target=_blank>CHEMBL935710</a>";;;;;;;;;-6.23;;;;;;;;;;;;"Sergeeva MV, Zhou Y, Bartkowski DM, Nolan TG, Norris DA, Okamoto E, Kirkovsky L, Kamran R, Lebrun LA, Tsan M, Patel R, Shah AM, Lardy M, Gobbi A, Li LS, Zhao J, Bertolini T, Stankovic N, Sun Z, Murphy DE, Webber SE, Dragovich PS.: Novel HCV NS5B polymerase inhibitors derived from 4-(1',1'-dioxo-1',4'-dihydro-1'lambda6-benzo[1',2',4']thiadiazin-3'-yl)-5-hydroxy-2H-pyridazin-3-ones: Part 4. Optimization of DMPK properties. Bioorg Med Chem Lett, Volume 18 (11), 2008";ChEMBL
MM475651;MM475651;CC(C)=Cc1nn(CCC(C)(C)C)c(=O)c(C2=NS(=O)(=O)c3cc(NS(C)(=O)=O)ccc3N2)c1O;ODPIHZDAKWIIIO-UHFFFAOYSA-N;523.64;2.74;136036582;;;CHEMBL257959;CACO;ECACO;25;0;"from A to B, <a href=https://www.ebi.ac.uk/chembl/assay_report_card/CHEMBL935710/  target=_blank>CHEMBL935710</a>";;;;;;;;;-6;;;;;;;;;;;;"Sergeeva MV, Zhou Y, Bartkowski DM, Nolan TG, Norris DA, Okamoto E, Kirkovsky L, Kamran R, Lebrun LA, Tsan M, Patel R, Shah AM, Lardy M, Gobbi A, Li LS, Zhao J, Bertolini T, Stankovic N, Sun Z, Murphy DE, Webber SE, Dragovich PS.: Novel HCV NS5B polymerase inhibitors derived from 4-(1',1'-dioxo-1',4'-dihydro-1'lambda6-benzo[1',2',4']thiadiazin-3'-yl)-5-hydroxy-2H-pyridazin-3-ones: Part 4. Optimization of DMPK properties. Bioorg Med Chem Lett, Volume 18 (11), 2008";ChEMBL
MM475652;MM475652;CC(C)(C)CCn1nc(CC(C)(C)C)c(O)c(C2=NS(=O)(=O)c3cc(NS(C)(=O)=O)ccc3N2)c1=O;CRDSEKPXMWCCTN-UHFFFAOYSA-N;539.68;2.91;136036595;;;CHEMBL257960;CACO;ECACO;25;0;"from A to B, <a href=https://www.ebi.ac.uk/chembl/assay_report_card/CHEMBL935710/  target=_blank>CHEMBL935710</a>";;;;;;;;;-6.82;;;;;;;;;;;;"Sergeeva MV, Zhou Y, Bartkowski DM, Nolan TG, Norris DA, Okamoto E, Kirkovsky L, Kamran R, Lebrun LA, Tsan M, Patel R, Shah AM, Lardy M, Gobbi A, Li LS, Zhao J, Bertolini T, Stankovic N, Sun Z, Murphy DE, Webber SE, Dragovich PS.: Novel HCV NS5B polymerase inhibitors derived from 4-(1',1'-dioxo-1',4'-dihydro-1'lambda6-benzo[1',2',4']thiadiazin-3'-yl)-5-hydroxy-2H-pyridazin-3-ones: Part 4. Optimization of DMPK properties. Bioorg Med Chem Lett, Volume 18 (11), 2008";ChEMBL
MM475653;MM475653;Cc1nc(N)ccc1CNC(=O)Cc1c(C#N)ccc(NCC(F)(F)c2ccccn2)c1F;;454.46;3.44;11236372;;;CHEMBL258018;CACO;ECACO;25;0;"from A to B, <a href=https://www.ebi.ac.uk/chembl/assay_report_card/CHEMBL934697/  target=_blank>CHEMBL934697</a>";;;;;;;;;-5.41;;;;;;;;;;;;"Kreutter KD, Lu T, Lee L, Giardino EC, Patel S, Huang H, Xu G, Fitzgerald M, Haertlein BJ, Mohan V, Crysler C, Eisennagel S, Dasgupta M, McMillan M, Spurlino JC, Huebert ND, Maryanoff BE, Tomczuk BE, Damiano BP, Player MR.: Orally efficacious thrombin inhibitors with cyanofluorophenylacetamide as the P2 motif. Bioorg Med Chem Lett, Volume 18 (9), 2008";ChEMBL
MM475654;MM475654;Cn1ncc(-c2ccc(F)cc2)c(-c2ccc(CC(NC(=O)c3c(Cl)cccc3Cl)C(=O)O)cc2)c1=O;YZOVQSYKZPZDRM-QFIPXVFZSA-N;540.38;4.99;44454604;;;CHEMBL258134;CACO;ECACO;25;0;"from A to B, <a href=https://www.ebi.ac.uk/chembl/assay_report_card/CHEMBL947948/  target=_blank>CHEMBL947948</a>";;;;;;;;;-6.8;;;;;;;;;;;;"Gong Y, Kent Barbay J, Kimball ES, Santulli RJ, Carolyn Fisher M, Dyatkin AB, Miskowski TA, Hornby PJ, He W.: Synthesis and SAR of pyridazinone-substituted phenylalanine amide alpha4 integrin antagonists. Bioorg Med Chem Lett, Volume 18 (4), 2008";ChEMBL
MM475655;MM475655;N#Cc1ccc(NCC(F)(F)c2cccc(F)c2)c(F)c1CC(=O)NCCON=C(N)N;;452.41;2.11;11328459;;;CHEMBL258198;CACO;ECACO;25;0;"from A to B, <a href=https://www.ebi.ac.uk/chembl/assay_report_card/CHEMBL934697/  target=_blank>CHEMBL934697</a>";;;;;;;;;-6.15;;;;;;;;;;;;"Kreutter KD, Lu T, Lee L, Giardino EC, Patel S, Huang H, Xu G, Fitzgerald M, Haertlein BJ, Mohan V, Crysler C, Eisennagel S, Dasgupta M, McMillan M, Spurlino JC, Huebert ND, Maryanoff BE, Tomczuk BE, Damiano BP, Player MR.: Orally efficacious thrombin inhibitors with cyanofluorophenylacetamide as the P2 motif. Bioorg Med Chem Lett, Volume 18 (9), 2008";ChEMBL
MM475657;MM475657;CN(OCCNC(=O)Cc1c(C#N)ccc(NCC(F)(F)c2ccccn2)c1F)C(=N)N;;449.44;1.71;11751278;;;CHEMBL258225;CACO;ECACO;25;0;"from A to B, <a href=https://www.ebi.ac.uk/chembl/assay_report_card/CHEMBL934697/  target=_blank>CHEMBL934697</a>";;;;;;;;;-6.22;;;;;;;;;;;;"Kreutter KD, Lu T, Lee L, Giardino EC, Patel S, Huang H, Xu G, Fitzgerald M, Haertlein BJ, Mohan V, Crysler C, Eisennagel S, Dasgupta M, McMillan M, Spurlino JC, Huebert ND, Maryanoff BE, Tomczuk BE, Damiano BP, Player MR.: Orally efficacious thrombin inhibitors with cyanofluorophenylacetamide as the P2 motif. Bioorg Med Chem Lett, Volume 18 (9), 2008";ChEMBL
MM475659;MM475659;CC(C)(C)CCn1nc(-c2cccs2)c(O)c(C2=NS(=O)(=O)c3cc(NS(C)(=O)=O)ccc3N2)c1=O;BNKHUPLFRJHZRH-UHFFFAOYSA-N;551.67;3.05;135907915;;;CHEMBL258459;CACO;ECACO;25;0;"from A to B, <a href=https://www.ebi.ac.uk/chembl/assay_report_card/CHEMBL936685/  target=_blank>CHEMBL936685</a>";;;;;;;;;-7.22;;;;;;;;;;;;"Li LS, Zhou Y, Murphy DE, Stankovic N, Zhao J, Dragovich PS, Bertolini T, Sun Z, Ayida B, Tran CV, Ruebsam F, Webber SE, Shah AM, Tsan M, Showalter RE, Patel R, Lebrun LA, Bartkowski DM, Nolan TG, Norris DA, Kamran R, Brooks J, Sergeeva MV, Kirkovsky L, Zhao Q, Kissinger CR.: Novel HCV NS5B polymerase inhibitors derived from 4-(1',1'-dioxo-1',4'-dihydro-1'lambda(6)-benzo[1',2',4']thiadiazin-3'-yl)-5-hydroxy-2H-pyridazin-3-ones. Part 3: Further optimization of the 2-, 6-, and 7'-substituents and initial pharmacokinetic assessments. Bioorg Med Chem Lett, Volume 18 (11), 2008";ChEMBL
MM475660;MM475660;O=C(c1cc2c(cc1F)OC(c1ccc(F)cc1)(c1ccc(Cl)cc1Cl)O2)N1CCOCC1;VUCKSZWMRCSPME-XMMPIXPASA-N;492.31;5.42;24828563;;;CHEMBL258539;CACO;ECACO;25;0;"from A to B, <a href=https://www.ebi.ac.uk/chembl/assay_report_card/CHEMBL933474/  target=_blank>CHEMBL933474</a>";;;;;;;;;-4.97;;;;;;;;;;;;"Alig L, Alsenz J, Andjelkovic M, Bendels S, Bénardeau A, Bleicher K, Bourson A, David-Pierson P, Guba W, Hildbrand S, Kube D, Lübbers T, Mayweg AV, Narquizian R, Neidhart W, Nettekoven M, Plancher JM, Rocha C, Rogers-Evans M, Röver S, Schneider G, Taylor S, Waldmeier P.: Benzodioxoles: novel cannabinoid-1 receptor inverse agonists for the treatment of obesity. J Med Chem, Volume 51 (7), 2008";ChEMBL
MM475661;MM475661;COc1cc2c(cc1OC)CN(Cc1ccc3ccccc3c1)CC2;;333.43;4.42;2838648;;;CHEMBL259094;CACO;ECACO;25;0;"from A to B, <a href=https://www.ebi.ac.uk/chembl/assay_report_card/CHEMBL923495/  target=_blank>CHEMBL923495</a>";;;;;;;;;-4.67;;;;;;;;;;;;"Colabufo NA, Berardi F, Cantore M, Perrone MG, Contino M, Inglese C, Niso M, Perrone R, Azzariti A, Simone GM, Paradiso A.: 4-Biphenyl and 2-naphthyl substituted 6,7-dimethoxytetrahydroisoquinoline derivatives as potent P-gp modulators. Bioorg Med Chem, Volume 16 (7), 2008";ChEMBL
MM475662;MM475662;COc1cc2c(cc1OC)CN(Cc1ccc3cc(O)ccc3c1)CC2;;349.43;4.12;44451766;;;CHEMBL259095;CACO;ECACO;25;0;"from A to B, <a href=https://www.ebi.ac.uk/chembl/assay_report_card/CHEMBL923495/  target=_blank>CHEMBL923495</a>";;;;;;;;;-4.45;;;;;;;;;;;;"Colabufo NA, Berardi F, Cantore M, Perrone MG, Contino M, Inglese C, Niso M, Perrone R, Azzariti A, Simone GM, Paradiso A.: 4-Biphenyl and 2-naphthyl substituted 6,7-dimethoxytetrahydroisoquinoline derivatives as potent P-gp modulators. Bioorg Med Chem, Volume 16 (7), 2008";ChEMBL
MM475663;MM475663;CCCCn1c(=O)c2cccnc2n1Cc1ccc(-c2ccccc2-c2nn[nH]n2)cc1;BWKIOYBQMPZRBR-UHFFFAOYSA-N;425.5;3.89;24827770;;;CHEMBL259114;CACO;ECACO;25;0;"from A to B, <a href=https://www.ebi.ac.uk/chembl/assay_report_card/CHEMBL925711/  target=_blank>CHEMBL925711</a>";;;;;;;;;-5.75;;;;;;;;;;;;"Cappelli A, Nannicini C, Gallelli A, Giuliani G, Valenti S, Mohr Gl, Anzini M, Mennuni L, Ferrari F, Caselli G, Giordani A, Peris W, Makovec F, Giorgi G, Vomero S.: Design, synthesis, and biological evaluation of AT1 angiotensin II receptor antagonists based on the pyrazolo[3,4-b]pyridine and related heteroaromatic bicyclic systems. J Med Chem, Volume 51 (7), 2008";ChEMBL
Milnacipran;MM16841;CCN(CC)C(=O)C1(c2ccccc2)CC1CN;GJJFMKBJSRMPLA-UHFFFAOYSA-N;246.35;1.77;11622909;;;CHEMBL259209;CACO;ECACO;25;0;"from A to B, <a href=https://www.ebi.ac.uk/chembl/assay_report_card/CHEMBL948483/  target=_blank>CHEMBL948483</a>";;;;;;;;;-5.05;;;;;;;;;;;;"Dyck B, Tamiya J, Jovic F, Pick RR, Bradbury MJ, O'Brien J, Wen J, Johns M, Madan A, Fleck BA, Foster AC, Li B, Zhang M, Tran JA, Vickers T, Grey J, Saunders J, Chen C.: Characterization of thien-2-yl 1S,2R-milnacipran analogues as potent norepinephrine/serotonin transporter inhibitors for the treatment of neuropathic pain. J Med Chem, Volume 51 (22), 2008";ChEMBL
MM475664;MM475664;CCCCn1c2ncccc2c(=O)n1Cc1ccc(-c2ccccc2-c2nn[nH]n2)cc1;NEJFAMVNQNXGLG-UHFFFAOYSA-N;425.5;3.89;24828707;;;CHEMBL259353;CACO;ECACO;25;0;"from A to B, <a href=https://www.ebi.ac.uk/chembl/assay_report_card/CHEMBL925711/  target=_blank>CHEMBL925711</a>";;;;;;;;;-5.44;;;;;;;;;;;;"Cappelli A, Nannicini C, Gallelli A, Giuliani G, Valenti S, Mohr Gl, Anzini M, Mennuni L, Ferrari F, Caselli G, Giordani A, Peris W, Makovec F, Giorgi G, Vomero S.: Design, synthesis, and biological evaluation of AT1 angiotensin II receptor antagonists based on the pyrazolo[3,4-b]pyridine and related heteroaromatic bicyclic systems. J Med Chem, Volume 51 (7), 2008";ChEMBL
MM18934;MM18934;COc1cc2c(cc1OC)CN(CCCC1CCCc3cc(OC)c(OC)cc31)CC2;ILEQWDOJJVJXBN-UHFFFAOYSA-N;425.57;4.98;24945196;;;CHEMBL259366;CACO;ECACO;25;0;"from A to B, <a href=https://www.ebi.ac.uk/chembl/assay_report_card/CHEMBL921232/  target=_blank>CHEMBL921232</a>";;;;;;;;;-4.06;;;;;;;;;;;;"Colabufo NA, Berardi F, Cantore M, Perrone MG, Contino M, Inglese C, Niso M, Perrone R, Azzariti A, Simone GM, Porcelli L, Paradiso A.: Small P-gp modulating molecules: SAR studies on tetrahydroisoquinoline derivatives. Bioorg Med Chem, Volume 16 (1), 2008";ChEMBL
MM19075;MM19075;COc1ccc2c(c1)CCCC2CCCN1CCc2cc(OC)c(OC)cc2C1;HJBMLYTXOFQZDS-UHFFFAOYSA-N;395.54;4.97;24945194;;;CHEMBL259367;CACO;ECACO;25;0;"from A to B, <a href=https://www.ebi.ac.uk/chembl/assay_report_card/CHEMBL921232/  target=_blank>CHEMBL921232</a>";;;;;;;;;-4.08;;;;;;;;;;;;"Colabufo NA, Berardi F, Cantore M, Perrone MG, Contino M, Inglese C, Niso M, Perrone R, Azzariti A, Simone GM, Porcelli L, Paradiso A.: Small P-gp modulating molecules: SAR studies on tetrahydroisoquinoline derivatives. Bioorg Med Chem, Volume 16 (1), 2008";ChEMBL
MM475665;MM475665;COc1cc2c(cc1OC)CN(Cc1cccc(-c3ccccc3)c1)CC2;;359.47;4.93;44451886;;;CHEMBL259370;CACO;ECACO;25;0;"from A to B, <a href=https://www.ebi.ac.uk/chembl/assay_report_card/CHEMBL923495/  target=_blank>CHEMBL923495</a>";;;;;;;;;-4.52;;;;;;;;;;;;"Colabufo NA, Berardi F, Cantore M, Perrone MG, Contino M, Inglese C, Niso M, Perrone R, Azzariti A, Simone GM, Paradiso A.: 4-Biphenyl and 2-naphthyl substituted 6,7-dimethoxytetrahydroisoquinoline derivatives as potent P-gp modulators. Bioorg Med Chem, Volume 16 (7), 2008";ChEMBL
MM18933;MM18933;COc1cc2c(cc1OC)CN(CCCC1CCCc3c(OC)cccc31)CC2;HHPVCRYYLOFYGE-UHFFFAOYSA-N;395.54;4.97;44451264;;;CHEMBL259582;CACO;ECACO;25;0;"from A to B, <a href=https://www.ebi.ac.uk/chembl/assay_report_card/CHEMBL921232/  target=_blank>CHEMBL921232</a>";;;;;;;;;-5.25;;;;;;;;;;;;"Colabufo NA, Berardi F, Cantore M, Perrone MG, Contino M, Inglese C, Niso M, Perrone R, Azzariti A, Simone GM, Porcelli L, Paradiso A.: Small P-gp modulating molecules: SAR studies on tetrahydroisoquinoline derivatives. Bioorg Med Chem, Volume 16 (1), 2008";ChEMBL
MM475667;MM475667;COc1cc2c(cc1OC)CN(Cc1ccccc1-c1ccccc1)CC2;;359.47;4.93;44451887;;;CHEMBL259791;CACO;ECACO;25;0;"from A to B, <a href=https://www.ebi.ac.uk/chembl/assay_report_card/CHEMBL923495/  target=_blank>CHEMBL923495</a>";;;;;;;;;-4.67;;;;;;;;;;;;"Colabufo NA, Berardi F, Cantore M, Perrone MG, Contino M, Inglese C, Niso M, Perrone R, Azzariti A, Simone GM, Paradiso A.: 4-Biphenyl and 2-naphthyl substituted 6,7-dimethoxytetrahydroisoquinoline derivatives as potent P-gp modulators. Bioorg Med Chem, Volume 16 (7), 2008";ChEMBL
MM475669;MM475669;COc1cc2c(cc1OC)CN(C(=O)c1ccc3ccccc3c1)CC2;;347.41;4.06;7924764;;;CHEMBL259949;CACO;ECACO;25;0;"from A to B, <a href=https://www.ebi.ac.uk/chembl/assay_report_card/CHEMBL923495/  target=_blank>CHEMBL923495</a>";;;;;;;;;-4.49;;;;;;;;;;;;"Colabufo NA, Berardi F, Cantore M, Perrone MG, Contino M, Inglese C, Niso M, Perrone R, Azzariti A, Simone GM, Paradiso A.: 4-Biphenyl and 2-naphthyl substituted 6,7-dimethoxytetrahydroisoquinoline derivatives as potent P-gp modulators. Bioorg Med Chem, Volume 16 (7), 2008";ChEMBL
MM475045;MM475045;COc1cc(Cl)ccc1O[C@@H](c1ccccc1)[C@@H]1CNCCO1;;333.82;3.46;;;;CHEMBL260259;CACO;ECACO;25;0;"from A to B, <a href=https://www.ebi.ac.uk/chembl/assay_report_card/CHEMBL932529/  target=_blank>CHEMBL932529</a>";;;;;;;;;-4.74;;;;;;;;;;;;"Fish PV, Deur C, Gan X, Greene K, Hoople D, Mackenny M, Para KS, Reeves K, Ryckmans T, Stiff C, Stobie A, Wakenhut F, Whitlock GA.: Design and synthesis of morpholine derivatives. SAR for dual serotonin & noradrenaline reuptake inhibition. Bioorg Med Chem Lett, Volume 18 (8), 2008";ChEMBL
MM475670;MM475670;COc1ccc2cc(C(=O)N3CCc4cc(OC)c(OC)cc4C3)ccc2c1;;377.44;4.06;28232208;;;CHEMBL260321;CACO;ECACO;25;0;"from A to B, <a href=https://www.ebi.ac.uk/chembl/assay_report_card/CHEMBL923495/  target=_blank>CHEMBL923495</a>";;;;;;;;;-4.71;;;;;;;;;;;;"Colabufo NA, Berardi F, Cantore M, Perrone MG, Contino M, Inglese C, Niso M, Perrone R, Azzariti A, Simone GM, Paradiso A.: 4-Biphenyl and 2-naphthyl substituted 6,7-dimethoxytetrahydroisoquinoline derivatives as potent P-gp modulators. Bioorg Med Chem, Volume 16 (7), 2008";ChEMBL
MM475671;MM475671;COc1cc2c(cc1OC)CN(C(=O)c1ccc3cc(O)ccc3c1)CC2;;363.41;3.76;44451797;;;CHEMBL260323;CACO;ECACO;25;0;"from A to B, <a href=https://www.ebi.ac.uk/chembl/assay_report_card/CHEMBL923495/  target=_blank>CHEMBL923495</a>";;;;;;;;;-4.6;;;;;;;;;;;;"Colabufo NA, Berardi F, Cantore M, Perrone MG, Contino M, Inglese C, Niso M, Perrone R, Azzariti A, Simone GM, Paradiso A.: 4-Biphenyl and 2-naphthyl substituted 6,7-dimethoxytetrahydroisoquinoline derivatives as potent P-gp modulators. Bioorg Med Chem, Volume 16 (7), 2008";ChEMBL
MM19074;MM19074;COc1ccc2c(c1)CCC=C2CCCN1CCc2cc(OC)c(OC)cc2C1;CIZNGVIPVFMLRQ-UHFFFAOYSA-N;393.53;4.88;24945109;;;CHEMBL260377;CACO;ECACO;25;0;"from A to B, <a href=https://www.ebi.ac.uk/chembl/assay_report_card/CHEMBL921232/  target=_blank>CHEMBL921232</a>";;;;;;;;;-4.39;;;;;;;;;;;;"Colabufo NA, Berardi F, Cantore M, Perrone MG, Contino M, Inglese C, Niso M, Perrone R, Azzariti A, Simone GM, Porcelli L, Paradiso A.: Small P-gp modulating molecules: SAR studies on tetrahydroisoquinoline derivatives. Bioorg Med Chem, Volume 16 (1), 2008";ChEMBL
MM19071;MM19071;COc1ccc2c(c1)C(CCCN1CCc3cc(OC)c(OC)cc3C1)=CCC2;NLSOIGZWHUMJEN-UHFFFAOYSA-N;393.53;4.88;24945108;;;CHEMBL260499;CACO;ECACO;25;0;"from A to B, <a href=https://www.ebi.ac.uk/chembl/assay_report_card/CHEMBL921232/  target=_blank>CHEMBL921232</a>";;;;;;;;;-4.21;;;;;;;;;;;;"Colabufo NA, Berardi F, Cantore M, Perrone MG, Contino M, Inglese C, Niso M, Perrone R, Azzariti A, Simone GM, Porcelli L, Paradiso A.: Small P-gp modulating molecules: SAR studies on tetrahydroisoquinoline derivatives. Bioorg Med Chem, Volume 16 (1), 2008";ChEMBL
MM475672;MM475672;COc1cc2c(cc1OC)CN(Cc1ccc(-c3ccc(O)cc3)cc1)CC2;;375.47;4.63;25113688;;;CHEMBL260505;CACO;ECACO;25;0;"from A to B, <a href=https://www.ebi.ac.uk/chembl/assay_report_card/CHEMBL923495/  target=_blank>CHEMBL923495</a>";;;;;;;;;-4.32;;;;;;;;;;;;"Colabufo NA, Berardi F, Cantore M, Perrone MG, Contino M, Inglese C, Niso M, Perrone R, Azzariti A, Simone GM, Paradiso A.: 4-Biphenyl and 2-naphthyl substituted 6,7-dimethoxytetrahydroisoquinoline derivatives as potent P-gp modulators. Bioorg Med Chem, Volume 16 (7), 2008";ChEMBL
MM475673;MM475673;COc1cc2c(cc1OC)CN(C(=O)c1ccc(-c3ccc(O)cc3)cc1)CC2;;389.45;4.27;44451909;;;CHEMBL260508;CACO;ECACO;25;0;"from A to B, <a href=https://www.ebi.ac.uk/chembl/assay_report_card/CHEMBL923495/  target=_blank>CHEMBL923495</a>";;;;;;;;;-4.55;;;;;;;;;;;;"Colabufo NA, Berardi F, Cantore M, Perrone MG, Contino M, Inglese C, Niso M, Perrone R, Azzariti A, Simone GM, Paradiso A.: 4-Biphenyl and 2-naphthyl substituted 6,7-dimethoxytetrahydroisoquinoline derivatives as potent P-gp modulators. Bioorg Med Chem, Volume 16 (7), 2008";ChEMBL
MM475674;MM475674;"COc1cc2c(cc1OC)CN(CC/C=C1\CCCc3c(OC)cccc31)CC2";QBMVDXXIQASRIE-QGMBQPNBSA-N;393.53;4.88;;;;;CACO;ECACO;25;0;"from A to B, <a href=https://www.ebi.ac.uk/chembl/assay_report_card/CHEMBL921232/  target=_blank>CHEMBL921232</a>";;;;;;;;;-4.63;;;;;;;;;;;;"Colabufo NA, Berardi F, Cantore M, Perrone MG, Contino M, Inglese C, Niso M, Perrone R, Azzariti A, Simone GM, Porcelli L, Paradiso A.: Small P-gp modulating molecules: SAR studies on tetrahydroisoquinoline derivatives. Bioorg Med Chem, Volume 16 (1), 2008";ChEMBL
MM475674;MM475674;"COc1cc2c(cc1OC)CN(CC/C=C1\CCCc3c(OC)cccc31)CC2";QBMVDXXIQASRIE-QGMBQPNBSA-N;393.53;4.88;;;;;CACO;ECACO;25;0;"from A to B, <a href=https://www.ebi.ac.uk/chembl/assay_report_card/CHEMBL923495/  target=_blank>CHEMBL923495</a>";;;;;;;;;-4.63;;;;;;;;;;;;"Colabufo NA, Berardi F, Cantore M, Perrone MG, Contino M, Inglese C, Niso M, Perrone R, Azzariti A, Simone GM, Paradiso A.: 4-Biphenyl and 2-naphthyl substituted 6,7-dimethoxytetrahydroisoquinoline derivatives as potent P-gp modulators. Bioorg Med Chem, Volume 16 (7), 2008";ChEMBL
MM18932;MM18932;COc1cc2c(cc1OC)CN(CCCC1=CCCc3cc(OC)c(OC)cc31)CC2;BVIGBAHRVHMUBL-UHFFFAOYSA-N;423.55;4.89;24945110;;;CHEMBL261802;CACO;ECACO;25;0;"from A to B, <a href=https://www.ebi.ac.uk/chembl/assay_report_card/CHEMBL921232/  target=_blank>CHEMBL921232</a>";;;;;;;;;-4.17;;;;;;;;;;;;"Colabufo NA, Berardi F, Cantore M, Perrone MG, Contino M, Inglese C, Niso M, Perrone R, Azzariti A, Simone GM, Porcelli L, Paradiso A.: Small P-gp modulating molecules: SAR studies on tetrahydroisoquinoline derivatives. Bioorg Med Chem, Volume 16 (1), 2008";ChEMBL
MM475678;MM475678;CCCCn1c(=O)c2cc(Cl)cnc2n1Cc1ccc(-c2ccccc2-c2nn[nH]n2)cc1;TUEKJIBMPXTDMM-UHFFFAOYSA-N;459.94;4.55;24827904;;;CHEMBL262098;CACO;ECACO;25;0;"from A to B, <a href=https://www.ebi.ac.uk/chembl/assay_report_card/CHEMBL925711/  target=_blank>CHEMBL925711</a>";;;;;;;;;-4.97;;;;;;;;;;;;"Cappelli A, Nannicini C, Gallelli A, Giuliani G, Valenti S, Mohr Gl, Anzini M, Mennuni L, Ferrari F, Caselli G, Giordani A, Peris W, Makovec F, Giorgi G, Vomero S.: Design, synthesis, and biological evaluation of AT1 angiotensin II receptor antagonists based on the pyrazolo[3,4-b]pyridine and related heteroaromatic bicyclic systems. J Med Chem, Volume 51 (7), 2008";ChEMBL
MM475683;MM475683;"COc1cccc2c1CCC/C2=C\CCN1CCCCC1";OQZQEGAAANHHRE-CXUHLZMHSA-N;285.43;4.29;;;;;CACO;ECACO;25;0;"from A to B, <a href=https://www.ebi.ac.uk/chembl/assay_report_card/CHEMBL921232/  target=_blank>CHEMBL921232</a>";;;;;;;;;-4.23;;;;;;;;;;;;"Colabufo NA, Berardi F, Cantore M, Perrone MG, Contino M, Inglese C, Niso M, Perrone R, Azzariti A, Simone GM, Porcelli L, Paradiso A.: Small P-gp modulating molecules: SAR studies on tetrahydroisoquinoline derivatives. Bioorg Med Chem, Volume 16 (1), 2008";ChEMBL
MM475684;MM475684;CCCCn1c2nc(C)ccc2c(=O)n1Cc1ccc(-c2ccccc2-c2nn[nH]n2)cc1;KTPNSHNJZAUHMY-UHFFFAOYSA-N;439.52;4.2;24828427;;;CHEMBL265208;CACO;ECACO;25;0;"from A to B, <a href=https://www.ebi.ac.uk/chembl/assay_report_card/CHEMBL925711/  target=_blank>CHEMBL925711</a>";;;;;;;;;-5.06;;;;;;;;;;;;"Cappelli A, Nannicini C, Gallelli A, Giuliani G, Valenti S, Mohr Gl, Anzini M, Mennuni L, Ferrari F, Caselli G, Giordani A, Peris W, Makovec F, Giorgi G, Vomero S.: Design, synthesis, and biological evaluation of AT1 angiotensin II receptor antagonists based on the pyrazolo[3,4-b]pyridine and related heteroaromatic bicyclic systems. J Med Chem, Volume 51 (7), 2008";ChEMBL
MM475689;MM475689;CC(C)(C)CCn1nc(C2CC2)c(O)c(C2=NS(=O)(=O)c3cc(NS(C)(=O)=O)ccc3N2)c1=O;BYBUTAGNNSBLGN-UHFFFAOYSA-N;509.61;2.2;136036591;;;CHEMBL267934;CACO;ECACO;25;0;"from A to B, <a href=https://www.ebi.ac.uk/chembl/assay_report_card/CHEMBL935710/  target=_blank>CHEMBL935710</a>";;;;;;;;;-6.02;;;;;;;;;;;;"Sergeeva MV, Zhou Y, Bartkowski DM, Nolan TG, Norris DA, Okamoto E, Kirkovsky L, Kamran R, Lebrun LA, Tsan M, Patel R, Shah AM, Lardy M, Gobbi A, Li LS, Zhao J, Bertolini T, Stankovic N, Sun Z, Murphy DE, Webber SE, Dragovich PS.: Novel HCV NS5B polymerase inhibitors derived from 4-(1',1'-dioxo-1',4'-dihydro-1'lambda6-benzo[1',2',4']thiadiazin-3'-yl)-5-hydroxy-2H-pyridazin-3-ones: Part 4. Optimization of DMPK properties. Bioorg Med Chem Lett, Volume 18 (11), 2008";ChEMBL
Propranolol;MM00085;CC(C)NCC(O)COc1cccc2ccccc12;AQHHHDLHHXJYJD-UHFFFAOYSA-N;259.35;2.58;4946;DB00571;;CHEMBL27;CACO;ECACO;25;0;"from A to B, <a href=https://www.ebi.ac.uk/chembl/assay_report_card/CHEMBL936685/  target=_blank>CHEMBL936685</a>";;;;;;;;;-5;;;;;;;;;;;;"Li LS, Zhou Y, Murphy DE, Stankovic N, Zhao J, Dragovich PS, Bertolini T, Sun Z, Ayida B, Tran CV, Ruebsam F, Webber SE, Shah AM, Tsan M, Showalter RE, Patel R, Lebrun LA, Bartkowski DM, Nolan TG, Norris DA, Kamran R, Brooks J, Sergeeva MV, Kirkovsky L, Zhao Q, Kissinger CR.: Novel HCV NS5B polymerase inhibitors derived from 4-(1',1'-dioxo-1',4'-dihydro-1'lambda(6)-benzo[1',2',4']thiadiazin-3'-yl)-5-hydroxy-2H-pyridazin-3-ones. Part 3: Further optimization of the 2-, 6-, and 7'-substituents and initial pharmacokinetic assessments. Bioorg Med Chem Lett, Volume 18 (11), 2008";ChEMBL
Propranolol;MM00085;CC(C)NCC(O)COc1cccc2ccccc12;AQHHHDLHHXJYJD-UHFFFAOYSA-N;259.35;2.58;4946;DB00571;;CHEMBL27;CACO;ECACO;25;0;"from A to B, <a href=https://www.ebi.ac.uk/chembl/assay_report_card/CHEMBL935710/  target=_blank>CHEMBL935710</a>";;;;;;;;;-5;;;;;;;;;;;;"Sergeeva MV, Zhou Y, Bartkowski DM, Nolan TG, Norris DA, Okamoto E, Kirkovsky L, Kamran R, Lebrun LA, Tsan M, Patel R, Shah AM, Lardy M, Gobbi A, Li LS, Zhao J, Bertolini T, Stankovic N, Sun Z, Murphy DE, Webber SE, Dragovich PS.: Novel HCV NS5B polymerase inhibitors derived from 4-(1',1'-dioxo-1',4'-dihydro-1'lambda6-benzo[1',2',4']thiadiazin-3'-yl)-5-hydroxy-2H-pyridazin-3-ones: Part 4. Optimization of DMPK properties. Bioorg Med Chem Lett, Volume 18 (11), 2008";ChEMBL
Propranolol;MM00085;CC(C)NCC(O)COc1cccc2ccccc12;AQHHHDLHHXJYJD-UHFFFAOYSA-N;259.35;2.58;4946;DB00571;;CHEMBL27;CACO;ECACO;25;0;"from A to B, <a href=https://www.ebi.ac.uk/chembl/assay_report_card/CHEMBL927015/  target=_blank>CHEMBL927015</a>";;;;;;;;;-5;;;;;;;;;;;;"Ruebsam F, Webber SE, Tran MT, Tran CV, Murphy DE, Zhao J, Dragovich PS, Kim SH, Li LS, Zhou Y, Han Q, Kissinger CR, Showalter RE, Lardy M, Shah AM, Tsan M, Patel R, Lebrun LA, Kamran R, Sergeeva MV, Bartkowski DM, Nolan TG, Norris DA, Kirkovsky L.: Pyrrolo[1,2-b]pyridazin-2-ones as potent inhibitors of HCV NS5B polymerase. Bioorg Med Chem Lett, Volume 18 (12), 2008";ChEMBL
Propranolol;MM00085;CC(C)NCC(O)COc1cccc2ccccc12;AQHHHDLHHXJYJD-UHFFFAOYSA-N;259.35;2.58;4946;DB00571;;CHEMBL27;CACO;ECACO;25;0;"from A to B, <a href=https://www.ebi.ac.uk/chembl/assay_report_card/CHEMBL997017/  target=_blank>CHEMBL997017</a>";;;;;;;;;-5;;;;;;;;;;;;"Ellis DA, Blazel JK, Webber SE, Tran CV, Dragovich PS, Sun Z, Ruebsam F, McGuire HM, Xiang AX, Zhao J, Li LS, Zhou Y, Han Q, Kissinger CR, Showalter RE, Lardy M, Shah AM, Tsan M, Patel R, LeBrun LA, Kamran R, Bartkowski DM, Nolan TG, Norris DA, Sergeeva MV, Kirkovsky L.: 4-(1,1-Dioxo-1,4-dihydro-1lambda6-benzo[1,4]thiazin-3-yl)-5-hydroxy-2H-pyridazin-3-ones as potent inhibitors of HCV NS5B polymerase. Bioorg Med Chem Lett, Volume 18 (16), 2008";ChEMBL
Propranolol;MM00085;CC(C)NCC(O)COc1cccc2ccccc12;AQHHHDLHHXJYJD-UHFFFAOYSA-N;259.35;2.58;4946;DB00571;;CHEMBL27;CACO;ECACO;25;0;"from A to B, <a href=https://www.ebi.ac.uk/chembl/assay_report_card/CHEMBL953074/  target=_blank>CHEMBL953074</a>";;;;;;;;;-5;;;;;;;;;;;;"Ruebsam F, Sun Z, Ayida BK, Webber SE, Zhou Y, Zhao Q, Kissinger CR, Showalter RE, Shah AM, Tsan M, Patel R, Lebrun LA, Kamran R, Sergeeva MV, Bartkowski DM, Nolan TG, Norris DA, Kirkovsky L.: Hexahydro-pyrrolo- and hexahydro-1H-pyrido[1,2-b]pyridazin-2-ones as potent inhibitors of HCV NS5B polymerase. Bioorg Med Chem Lett, Volume 18 (18), 2008";ChEMBL
Propranolol;MM00085;CC(C)NCC(O)COc1cccc2ccccc12;AQHHHDLHHXJYJD-UHFFFAOYSA-N;259.35;2.58;4946;DB00571;;CHEMBL27;CACO;ECACO;25;0;"from A to B, <a href=https://www.ebi.ac.uk/chembl/assay_report_card/CHEMBL1108561/  target=_blank>CHEMBL1108561</a>";;;;;;;;;-4.41;;;;;;;;;;;;"Burns CJ, Bourke DG, Andrau L, Bu X, Charman SA, Donohue AC, Fantino E, Farrugia M, Feutrill JT, Joffe M, Kling MR, Kurek M, Nero TL, Nguyen T, Palmer JT, Phillips I, Shackleford DM, Sikanyika H, Styles M, Su S, Treutlein H, Zeng J, Wilks AF.: Phenylaminopyrimidines as inhibitors of Janus kinases (JAKs). Bioorg Med Chem Lett, Volume 19 (20), 2009";ChEMBL
Propranolol;MM00085;CC(C)NCC(O)COc1cccc2ccccc12;AQHHHDLHHXJYJD-UHFFFAOYSA-N;259.35;2.58;4946;DB00571;;CHEMBL27;CACO;ECACO;25;0;"from A to B, <a href=https://www.ebi.ac.uk/chembl/assay_report_card/CHEMBL1115404/  target=_blank>CHEMBL1115404</a>";;;;;;;;;-4.29;;;;;;;;;;;;"Zhou Y, Liu G, Chen J, Reddy PS, Yoon IS, Zhang M, Zhang B, Barber JR, Ng SC.: Pyrimido[5,4-e][1,2,4]triazine-5,7(1H,6H)-dione derivatives: their cytoprotection effect from rotenone toxicity and preliminary DMPK properties. Bioorg Med Chem Lett, Volume 19 (21), 2009";ChEMBL
Propranolol;MM00085;CC(C)NCC(O)COc1cccc2ccccc12;AQHHHDLHHXJYJD-UHFFFAOYSA-N;259.35;2.58;4946;DB00571;;CHEMBL27;CACO;ECACO;25;0;"from A to B, <a href=https://www.ebi.ac.uk/chembl/assay_report_card/CHEMBL1050861/  target=_blank>CHEMBL1050861</a>";;;;;;;;;-4.69;;;;;;;;;;;;"Rai G, Sayed AA, Lea WA, Luecke HF, Chakrapani H, Prast-Nielsen S, Jadhav A, Leister W, Shen M, Inglese J, Austin CP, Keefer L, Arnér ES, Simeonov A, Maloney DJ, Williams DL, Thomas CJ.: Structure mechanism insights and the role of nitric oxide donation guide the development of oxadiazole-2-oxides as therapeutic agents against schistosomiasis. J Med Chem, Volume 52 (20), 2009";ChEMBL
Propranolol;MM00085;CC(C)NCC(O)COc1cccc2ccccc12;AQHHHDLHHXJYJD-UHFFFAOYSA-N;259.35;2.58;4946;DB00571;;CHEMBL27;CACO;ECACO;25;0;"from A to B, <a href=https://www.ebi.ac.uk/chembl/assay_report_card/CHEMBL967838/  target=_blank>CHEMBL967838</a>";;;;;;;;;-4.54;;;;;;;;;;;;"Van Voorhis WC, Rivas KL, Bendale P, Nallan L, Hornéy C, Barrett LK, Bauer KD, Smart BP, Ankala S, Hucke O, Verlinde CL, Chakrabarti D, Strickland C, Yokoyama K, Buckner FS, Hamilton AD, Williams DK, Lombardo LJ, Floyd D, Gelb MH.: Efficacy, pharmacokinetics, and metabolism of tetrahydroquinoline inhibitors of Plasmodium falciparum protein farnesyltransferase. Antimicrob Agents Chemother, Volume 51 (10), 2007";ChEMBL
MM475693;MM475693;Cc1cc(COc2ccc(C(=O)NC3CN(C(=O)C(C)(C)C)CC3C(=O)NO)cc2)c2ccccc2n1;OYFJDPJIGCMKKI-LADGPHEKSA-N;504.59;3.23;10164205;;;CHEMBL270606;CACO;ECACO;25;0;"from A to B, <a href=https://www.ebi.ac.uk/chembl/assay_report_card/CHEMBL930649/  target=_blank>CHEMBL930649</a>";;;;;;;;;-6.52;;;;;;;;;;;;"Ott GR, Asakawa N, Lu Z, Liu RQ, Covington MB, Vaddi K, Qian M, Newton RC, Christ DD, Traskos JM, Decicco CP, Duan JJ.: Alpha,beta-cyclic-beta-benzamido hydroxamic acids: novel templates for the design, synthesis, and evaluation of selective inhibitors of TNF-alpha converting enzyme (TACE). Bioorg Med Chem Lett, Volume 18 (2), 2008";ChEMBL
MM475694;MM475694;C=CCN1CC(NC(=O)c2ccc(OCc3cc(C)nc4ccccc34)cc2)C(C(=O)NO)C1;CNSXDPYRIAFYKG-LADGPHEKSA-N;460.53;2.84;44455879;;;CHEMBL270800;CACO;ECACO;25;0;"from A to B, <a href=https://www.ebi.ac.uk/chembl/assay_report_card/CHEMBL930649/  target=_blank>CHEMBL930649</a>";;;;;;;;;-7;;;;;;;;;;;;"Ott GR, Asakawa N, Lu Z, Liu RQ, Covington MB, Vaddi K, Qian M, Newton RC, Christ DD, Traskos JM, Decicco CP, Duan JJ.: Alpha,beta-cyclic-beta-benzamido hydroxamic acids: novel templates for the design, synthesis, and evaluation of selective inhibitors of TNF-alpha converting enzyme (TACE). Bioorg Med Chem Lett, Volume 18 (2), 2008";ChEMBL
MM475695;MM475695;CC(C)(C)c1nn2ccccc2c1Cc1ccc(C(=O)NC2CCOCC2C(=O)NO)cc1;KCBXQUWPZNVZIG-VQTJNVASSA-N;450.54;2.86;25138272;;;CHEMBL270817;CACO;ECACO;25;0;"from A to B, <a href=https://www.ebi.ac.uk/chembl/assay_report_card/CHEMBL934171/  target=_blank>CHEMBL934171</a>";;;;;;;;;-5.37;;;;;;;;;;;;"Lu Z, Ott GR, Anand R, Liu RQ, Covington MB, Vaddi K, Qian M, Newton RC, Christ DD, Trzaskos J, Duan JJ.: Potent, selective, orally bioavailable inhibitors of tumor necrosis factor-alpha converting enzyme (TACE): discovery of indole, benzofuran, imidazopyridine and pyrazolopyridine P1' substituents. Bioorg Med Chem Lett, Volume 18 (6), 2008";ChEMBL
MM475696;MM475696;Cc1cc(COc2ccc(C(=O)NC3CN(C(=O)C(C)C)CC3C(=O)NO)cc2)c2ccccc2n1;SVLPSGKSYVCBRQ-LADGPHEKSA-N;490.56;2.84;44455528;;;CHEMBL270819;CACO;ECACO;25;0;"from A to B, <a href=https://www.ebi.ac.uk/chembl/assay_report_card/CHEMBL930649/  target=_blank>CHEMBL930649</a>";;;;;;;;;-7;;;;;;;;;;;;"Ott GR, Asakawa N, Lu Z, Liu RQ, Covington MB, Vaddi K, Qian M, Newton RC, Christ DD, Traskos JM, Decicco CP, Duan JJ.: Alpha,beta-cyclic-beta-benzamido hydroxamic acids: novel templates for the design, synthesis, and evaluation of selective inhibitors of TNF-alpha converting enzyme (TACE). Bioorg Med Chem Lett, Volume 18 (2), 2008";ChEMBL
MM475698;MM475698;Cc1cc(COc2ccc(C(=O)NC3CN(C4CCC4)CC3C(=O)NO)cc2)c2ccccc2n1;NTFMFANVPWIUGQ-UKILVPOCSA-N;474.56;3.21;44455829;;;CHEMBL271234;CACO;ECACO;25;0;"from A to B, <a href=https://www.ebi.ac.uk/chembl/assay_report_card/CHEMBL930649/  target=_blank>CHEMBL930649</a>";;;;;;;;;-7;;;;;;;;;;;;"Ott GR, Asakawa N, Lu Z, Liu RQ, Covington MB, Vaddi K, Qian M, Newton RC, Christ DD, Traskos JM, Decicco CP, Duan JJ.: Alpha,beta-cyclic-beta-benzamido hydroxamic acids: novel templates for the design, synthesis, and evaluation of selective inhibitors of TNF-alpha converting enzyme (TACE). Bioorg Med Chem Lett, Volume 18 (2), 2008";ChEMBL
MM475699;MM475699;C#CCN1CC(NC(=O)c2ccc(OCc3cc(C)nc4ccccc34)cc2)C(C(=O)NO)C1;SIICAQVADMFEDB-LADGPHEKSA-N;458.52;2.29;11753905;;;CHEMBL271235;CACO;ECACO;25;0;"from A to B, <a href=https://www.ebi.ac.uk/chembl/assay_report_card/CHEMBL930649/  target=_blank>CHEMBL930649</a>";;;;;;;;;-5.49;;;;;;;;;;;;"Ott GR, Asakawa N, Lu Z, Liu RQ, Covington MB, Vaddi K, Qian M, Newton RC, Christ DD, Traskos JM, Decicco CP, Duan JJ.: Alpha,beta-cyclic-beta-benzamido hydroxamic acids: novel templates for the design, synthesis, and evaluation of selective inhibitors of TNF-alpha converting enzyme (TACE). Bioorg Med Chem Lett, Volume 18 (2), 2008";ChEMBL
MM475701;MM475701;Cc1ccc(N2CCN(C(=O)C3CN(C4CCOCC4)CC3c3ccc(Cl)cc3)CC2)c(C(NC(=O)CCN(C)C)C(C)C)c1;XJIWJTAALOWWFJ-UKAHRKLESA-N;638.3;4.96;44456222;;;CHEMBL272538;CACO;ECACO;25;0;"from A to B, <a href=https://www.ebi.ac.uk/chembl/assay_report_card/CHEMBL946099/  target=_blank>CHEMBL946099</a>";;;;;;;;;-6.8;;;;;;;;;;;;"Chen C, Jiang W, Tran JA, Tucci FC, Fleck BA, Markison S, Wen J, Madan A, Hoare SR, Foster AC, Marinkovic D, Chen CW, Arellano M, Saunders J.: Identification and characterization of pyrrolidine diastereoisomers as potent functional agonists and antagonists of the human melanocortin-4 receptor. Bioorg Med Chem Lett, Volume 18 (1), 2008";ChEMBL
MM475702;MM475702;COc1cnn(C)c(=O)c1-c1ccc(CC(NC(=O)c2c(Cl)cccc2Cl)c2nn[nH]n2)cc1;FOUDHXTZQKEKBC-INIZCTEOSA-N;500.35;2.99;44454658;;;CHEMBL272548;CACO;ECACO;25;0;"from A to B, <a href=https://www.ebi.ac.uk/chembl/assay_report_card/CHEMBL947948/  target=_blank>CHEMBL947948</a>";;;;;;;;;-7.7;;;;;;;;;;;;"Gong Y, Kent Barbay J, Kimball ES, Santulli RJ, Carolyn Fisher M, Dyatkin AB, Miskowski TA, Hornby PJ, He W.: Synthesis and SAR of pyridazinone-substituted phenylalanine amide alpha4 integrin antagonists. Bioorg Med Chem Lett, Volume 18 (4), 2008";ChEMBL
MM475051;MM475051;CNCc1cnc(C)cc1Oc1ccccc1Oc1ccccc1;;320.39;4.69;25022704;;;CHEMBL273208;CACO;ECACO;25;0;"from A to B, <a href=https://www.ebi.ac.uk/chembl/assay_report_card/CHEMBL933948/  target=_blank>CHEMBL933948</a>";;;;;;;;;-4.96;;;;;;;;;;;;"Fish PV, Ryckmans T, Stobie A, Wakenhut F.: [4-(Phenoxy)pyridin-3-yl]methylamines: a new class of selective noradrenaline reuptake inhibitors. Bioorg Med Chem Lett, Volume 18 (6), 2008";ChEMBL
MM475713;MM475713;CC(C)CC(C=O)NC(=O)C(NS(=O)(=O)c1ccc(F)cc1)C(C)C;WSJWUIDLGZAXID-HOCLYGCPSA-N;372.46;1.86;9885817;;;CHEMBL288365;CACO;ECACO;25;0;"from A to B, <a href=https://www.ebi.ac.uk/chembl/assay_report_card/CHEMBL863675/  target=_blank>CHEMBL863675</a>";;;;;;;;;-5.59;;;;;;;;;;;;"Shirasaki Y, Nakamura M, Yamaguchi M, Miyashita H, Sakai O, Inoue J.: Exploration of orally available calpain inhibitors 2: peptidyl hemiacetal derivatives. J Med Chem, Volume 49 (13), 2006";ChEMBL
Cimetidine;MM00463;CN=C(NC#N)NCCSCc1nc[nH]c1C;AQIXAKUUQRKLND-UHFFFAOYSA-N;252.35;0.6;2756;DB00501;;CHEMBL30;CACO;ECACO;25;0;"from A to B, <a href=https://www.ebi.ac.uk/chembl/assay_report_card/CHEMBL1016134/  target=_blank>CHEMBL1016134</a>";;;;;;;;;-6.25;;;;;;;;;;;;"Ettari R, Micale N, Schirmeister T, Gelhaus C, Leippe M, Nizi E, Di Francesco ME, Grasso S, Zappalà M.: Novel peptidomimetics containing a vinyl ester moiety as highly potent and selective falcipain-2 inhibitors. J Med Chem, Volume 52 (7), 2009";ChEMBL
MM475729;MM475729;Cc1nc(C(C)C)n(C2CC3CCC(C2)N3CCC(NC(=O)C2CCC(F)(F)CC2)c2ccccc2)n1;;513.68;5.95;49768863;;;CHEMBL1649912;CACO;ECACO;25;0;"from A to B, <a href=https://www.ebi.ac.uk/chembl/assay_report_card/CHEMBL1019466/  target=_blank>CHEMBL1019466</a>";;;;;;;;;-4.96;;;;;;;;;;;;"Barber CG, Blakemore DC, Chiva JY, Eastwood RL, Middleton DS, Paradowski KA.: 1-Amido-1-phenyl-3-piperidinylbutanes--CCR5 antagonists for the treatment of HIV: part 2. Bioorg Med Chem Lett, Volume 19 (5), 2009";ChEMBL
MM475733;MM475733;NC(=O)C(Cc1ccccc1)NC(=O)C(Cc1c[nH]c2ccccc12)NC(=O)C1CCCN1C(=O)C(N)Cc1ccc(O)cc1;ZEXLJFNSKAHNFH-SYKYGTKKSA-N;610.72;1.67;5311080;;;CHEMBL316446;CACO;ECACO;25;0;"from A to B, <a href=https://www.ebi.ac.uk/chembl/assay_report_card/CHEMBL955665/  target=_blank>CHEMBL955665</a>";;;;;;;;;-6.35;;;;;;;;;;;;"Koda Y, Del Borgo M, Wessling ST, Lazarus LH, Okada Y, Toth I, Blanchfield JT.: Synthesis and in vitro evaluation of a library of modified endomorphin 1 peptides. Bioorg Med Chem, Volume 16 (11), 2008";ChEMBL
MM475740;MM475740;NC(=O)C(Cc1ccccc1)NC(=O)C(Cc1ccccc1)NC(=O)C1CCCN1C(=O)C(N)Cc1ccc(O)cc1;XIJHWXXXIMEHKW-LJWNLINESA-N;571.68;1.19;5311081;;;CHEMBL333357;CACO;ECACO;25;0;"from A to B, <a href=https://www.ebi.ac.uk/chembl/assay_report_card/CHEMBL886598/  target=_blank>CHEMBL886598</a>";;;;;;;;;-7.19;;;;;;;;;;;;"Koda Y, Shiotani K, Toth I, Tsuda Y, Okada Y, Blanchfield JT.: Comparison of the in vitro apparent permeability and stability of opioid mimetic compounds with that of the native peptide. Bioorg Med Chem Lett, Volume 17 (7), 2007";ChEMBL
Furoxan;MM17302;;PMYJGTWUVVVOFO-UHFFFAOYSA-N;187.16;0.85;;;;;CACO;ECACO;25;+1,-1;"from A to B, <a href=https://www.ebi.ac.uk/chembl/assay_report_card/CHEMBL1050861/  target=_blank>CHEMBL1050861</a>";;;;;;;;;-6;;;;;;;;;;;;"Rai G, Sayed AA, Lea WA, Luecke HF, Chakrapani H, Prast-Nielsen S, Jadhav A, Leister W, Shen M, Inglese J, Austin CP, Keefer L, Arnér ES, Simeonov A, Maloney DJ, Williams DL, Thomas CJ.: Structure mechanism insights and the role of nitric oxide donation guide the development of oxadiazole-2-oxides as therapeutic agents against schistosomiasis. J Med Chem, Volume 52 (20), 2009";ChEMBL
MM475789;MM475789;CC(=O)NC(Cc1ccc(O)cc1)C(=O)NC(C)C(=O)NCC(=O)NC(Cc1ccccc1)C(=O)NC(CC(C)C)C(N)=O;;610.71;-0.2;11527329;;;CHEMBL370813;CACO;ECACO;25;0;"from A to B, <a href=https://www.ebi.ac.uk/chembl/assay_report_card/CHEMBL864127/  target=_blank>CHEMBL864127</a>";;;;;;;;;-7.42;;;;;;;;;;;;"Liederer BM, Fuchs T, Vander Velde D, Siahaan TJ, Borchardt RT.: Effects of amino acid chirality and the chemical linker on the cell permeation characteristics of cyclic prodrugs of opioid peptides. J Med Chem, Volume 49 (4), 2006";ChEMBL
MM475789;MM475789;CC(=O)NC(Cc1ccc(O)cc1)C(=O)NC(C)C(=O)NCC(=O)NC(Cc1ccccc1)C(=O)NC(CC(C)C)C(N)=O;;610.71;-0.2;11527329;;;CHEMBL370813;CACO;ECACO;25;0;"from A to B, <a href=https://www.ebi.ac.uk/chembl/assay_report_card/CHEMBL864131/  target=_blank>CHEMBL864131</a>";;;;;;;;;-7.54;;;;;;;;;;;;"Liederer BM, Fuchs T, Vander Velde D, Siahaan TJ, Borchardt RT.: Effects of amino acid chirality and the chemical linker on the cell permeation characteristics of cyclic prodrugs of opioid peptides. J Med Chem, Volume 49 (4), 2006";ChEMBL
MM475789;MM475789;CC(=O)NC(Cc1ccc(O)cc1)C(=O)NC(C)C(=O)NCC(=O)NC(Cc1ccccc1)C(=O)NC(CC(C)C)C(N)=O;;610.71;-0.2;11527329;;;CHEMBL370813;CACO;ECACO;25;0;"from A to B, <a href=https://www.ebi.ac.uk/chembl/assay_report_card/CHEMBL865285/  target=_blank>CHEMBL865285</a>";;;;;;;;;-7.7;;;;;;;;;;;;"Liederer BM, Fuchs T, Vander Velde D, Siahaan TJ, Borchardt RT.: Effects of amino acid chirality and the chemical linker on the cell permeation characteristics of cyclic prodrugs of opioid peptides. J Med Chem, Volume 49 (4), 2006";ChEMBL
MM475790;MM475790;CC(C)CN(CC(O)C(Cc1ccccc1)NC(=O)OC1COC2OCCC12)S(=O)(=O)c1ccc2nc(NCCN(C)C)sc2c1;;675.87;3.38;509604;;;CHEMBL371045;CACO;ECACO;25;0;"from A to B, <a href=https://www.ebi.ac.uk/chembl/assay_report_card/CHEMBL836786/  target=_blank>CHEMBL836786</a>";;;;;;;;;-5.21;;;;;;;;;;;;"Surleraux DL, de Kock HA, Verschueren WG, Pille GM, Maes LJ, Peeters A, Vendeville S, De Meyer S, Azijn H, Pauwels R, de Bethune MP, King NM, Prabu-Jeyabalan M, Schiffer CA, Wigerinck PB.: Design of HIV-1 protease inhibitors active on multidrug-resistant virus. J Med Chem, Volume 48 (6), 2005";ChEMBL
MM475791;MM475791;NC(Cc1ccc(-c2ccc(F)cc2)cc1)C(=O)N1CCSC1;;330.43;2.9;23645389;;;CHEMBL371757;CACO;ECACO;25;0;"from A to B, <a href=https://www.ebi.ac.uk/chembl/assay_report_card/CHEMBL863903/  target=_blank>CHEMBL863903</a>";;;;;;;;;-4.77;;;;;;;;;;;;"Qiao L, Baumann CA, Crysler CS, Ninan NS, Abad MC, Spurlino JC, Desjarlais RL, Kervinen J, Neeper MP, Bayoumy SS, Williams R, Deckman IC, Dasgupta M, Reed RL, Huebert ND, Tomczuk BE, Moriarty KJ.: Discovery, SAR, and X-ray structure of novel biaryl-based dipeptidyl peptidase IV inhibitors. Bioorg Med Chem Lett, Volume 16 (1), 2006";ChEMBL
MM475795;MM475795;CCCC(=O)N1CCC(NS(=O)(=O)c2ccc(NC(=O)c3ccccc3C)c3ccccc23)CC1;;493.63;4.47;10391001;;;CHEMBL374939;CACO;ECACO;25;0;"from A to B, <a href=https://www.ebi.ac.uk/chembl/assay_report_card/CHEMBL855763/  target=_blank>CHEMBL855763</a>";;;;;;;;;-4.6;;;;;;;;;;;;"Jenkins TJ, Guan B, Dai M, Li G, Lightburn TE, Huang S, Freeze BS, Burdi DF, Jacutin-Porte S, Bennett R, Chen W, Minor C, Ghosh S, Blackburn C, Gigstad KM, Jones M, Kolbeck R, Yin W, Smith S, Cardillo D, Ocain TD, Harriman GC.: Design, synthesis, and evaluation of naphthalene-sulfonamide antagonists of human CCR8. J Med Chem, Volume 50 (3), 2007";ChEMBL
MM475799;MM475799;Cc1cc(Nc2ncnc3cnc(N4CCOCC4)cc23)ccc1Oc1ccc(C(=O)NCC(C)(C)C)cc1;KKWBRQPIXLDPAR-UHFFFAOYSA-N;526.64;5.48;44426290;;;CHEMBL375671;CACO;ECACO;25;0;"from A to B, <a href=https://www.ebi.ac.uk/chembl/assay_report_card/CHEMBL887695/  target=_blank>CHEMBL887695</a>";;;;;;;;;-4.81;;;;;;;;;;;;"Lippa B, Kauffman GS, Arcari J, Kwan T, Chen J, Hungerford W, Bhattacharya S, Zhao X, Williams C, Xiao J, Pustilnik L, Su C, Moyer JD, Ma L, Campbell M, Steyn S.: The discovery of highly selective erbB2 (Her2) inhibitors for the treatment of cancer. Bioorg Med Chem Lett, Volume 17 (11), 2007";ChEMBL
MM475802;MM475802;Cc1cc(C)c2c(N)c(C(N)=O)sc2n1;SDMLKCQDZJOSDN-UHFFFAOYSA-N;221.29;1.59;613528;;;CHEMBL377085;CACO;ECACO;25;0;"from A to B, <a href=https://www.ebi.ac.uk/chembl/assay_report_card/CHEMBL865085/  target=_blank>CHEMBL865085</a>";;;;;;;;;-4.87;;;;;;;;;;;;"Morwick T, Berry A, Brickwood J, Cardozo M, Catron K, DeTuri M, Emeigh J, Homon C, Hrapchak M, Jacober S, Jakes S, Kaplita P, Kelly TA, Ksiazek J, Liuzzi M, Magolda R, Mao C, Marshall D, McNeil D, Prokopowicz A, Sarko C, Scouten E, Sledziona C, Sun S, Watrous J, Wu JP, Cywin CL.: Evolution of the thienopyridine class of inhibitors of IkappaB kinase-beta: part I: hit-to-lead strategies. J Med Chem, Volume 49 (10), 2006";ChEMBL
MM475805;MM475805;NC(=O)c1nc(-c2ccc(C(F)(F)F)cc2)oc1N;DPUNFIBGNOBPIM-UHFFFAOYSA-N;271.2;2.04;11608743;;;CHEMBL377928;CACO;ECACO;25;0;"from A to B, <a href=https://www.ebi.ac.uk/chembl/assay_report_card/CHEMBL865085/  target=_blank>CHEMBL865085</a>";;;;;;;;;-4.72;;;;;;;;;;;;"Morwick T, Berry A, Brickwood J, Cardozo M, Catron K, DeTuri M, Emeigh J, Homon C, Hrapchak M, Jacober S, Jakes S, Kaplita P, Kelly TA, Ksiazek J, Liuzzi M, Magolda R, Mao C, Marshall D, McNeil D, Prokopowicz A, Sarko C, Scouten E, Sledziona C, Sun S, Watrous J, Wu JP, Cywin CL.: Evolution of the thienopyridine class of inhibitors of IkappaB kinase-beta: part I: hit-to-lead strategies. J Med Chem, Volume 49 (10), 2006";ChEMBL
MM475809;MM475809;CC(C)c1nnc2ccc(-c3ocnc3-c3cc(F)ccc3F)cn12;;340.33;4.45;9949821;;;CHEMBL379866;CACO;ECACO;25;0;"from A to B, <a href=https://www.ebi.ac.uk/chembl/assay_report_card/CHEMBL867927/  target=_blank>CHEMBL867927</a>";;;;;;;;;-4.37;;;;;;;;;;;;"McClure KF, Letavic MA, Kalgutkar AS, Gabel CA, Audoly L, Barberia JT, Braganza JF, Carter D, Carty TJ, Cortina SR, Dombroski MA, Donahue KM, Elliott NC, Gibbons CP, Jordan CK, Kuperman AV, Labasi JM, Laliberte RE, McCoy JM, Naiman BM, Nelson KL, Nguyen HT, Peese KM, Sweeney FJ, Taylor TJ, Trebino CE, Abramov YA, Laird ER, Volberg WA, Zhou J, Bach J, Lombardo F.: Structure-activity relationships of triazolopyridine oxazole p38 inhibitors: identification of candidates for clinical development. Bioorg Med Chem Lett, Volume 16 (16), 2006";ChEMBL
MM475810;MM475810;c1ccc2c(-c3ccncc3)c[nH]c2c1;;194.24;3.23;644354;;;CHEMBL380071;CACO;ECACO;25;0;"from A to B, <a href=https://www.ebi.ac.uk/chembl/assay_report_card/CHEMBL870726/  target=_blank>CHEMBL870726</a>";;;;;;;;;-4.58;;;;;;;;;;;;"Beevers RE, Buckley GM, Davies N, Fraser JL, Galvin FC, Hannah DR, Haughan AF, Jenkins K, Mack SR, Pitt WR, Ratcliffe AJ, Richard MD, Sabin V, Sharpe A, Williams SC.: Novel indole inhibitors of IMPDH from fragments: synthesis and initial structure-activity relationships. Bioorg Med Chem Lett, Volume 16 (9), 2006";ChEMBL
MM475811;MM475811;O=S(=O)(Nc1ccc2c(-c3ccncc3)c[nH]c2c1)c1ccccc1;;349.42;4.03;44410735;;;CHEMBL380132;CACO;ECACO;25;0;"from A to B, <a href=https://www.ebi.ac.uk/chembl/assay_report_card/CHEMBL870726/  target=_blank>CHEMBL870726</a>";;;;;;;;;-5.19;;;;;;;;;;;;"Beevers RE, Buckley GM, Davies N, Fraser JL, Galvin FC, Hannah DR, Haughan AF, Jenkins K, Mack SR, Pitt WR, Ratcliffe AJ, Richard MD, Sabin V, Sharpe A, Williams SC.: Novel indole inhibitors of IMPDH from fragments: synthesis and initial structure-activity relationships. Bioorg Med Chem Lett, Volume 16 (9), 2006";ChEMBL
MM475812;MM475812;C#Cc1ccc2c(c1)C(=O)N(C(C)c1ccc(Cl)cc1)C(c1ccc(Cl)cc1)C(=O)N2CCCCC(=O)O;;549.45;6.52;11706629;;;CHEMBL380214;CACO;ECACO;25;0;"from A to B, <a href=https://www.ebi.ac.uk/chembl/assay_report_card/CHEMBL853094/  target=_blank>CHEMBL853094</a>";;;;;;;;;-4.68;;;;;;;;;;;;"Parks DJ, LaFrance LV, Calvo RR, Milkiewicz KL, Marugán JJ, Raboisson P, Schubert C, Koblish HK, Zhao S, Franks CF, Lattanze J, Carver TE, Cummings MD, Maguire D, Grasberger BL, Maroney AC, Lu T.: Enhanced pharmacokinetic properties of 1,4-benzodiazepine-2,5-dione antagonists of the HDM2-p53 protein-protein interaction through structure-based drug design. Bioorg Med Chem Lett, Volume 16 (12), 2006";ChEMBL
MM475816;MM475816;O=C(NOCc1ccccc1)Nc1ccc2c(-c3ccncc3)c[nH]c2c1;;358.4;4.48;11674857;;;CHEMBL380639;CACO;ECACO;25;0;"from A to B, <a href=https://www.ebi.ac.uk/chembl/assay_report_card/CHEMBL870726/  target=_blank>CHEMBL870726</a>";;;;;;;;;-5.19;;;;;;;;;;;;"Beevers RE, Buckley GM, Davies N, Fraser JL, Galvin FC, Hannah DR, Haughan AF, Jenkins K, Mack SR, Pitt WR, Ratcliffe AJ, Richard MD, Sabin V, Sharpe A, Williams SC.: Novel indole inhibitors of IMPDH from fragments: synthesis and initial structure-activity relationships. Bioorg Med Chem Lett, Volume 16 (9), 2006";ChEMBL
MM475817;MM475817;CC(=O)N[C@@H](Cc1ccc(O)cc1)C(=O)N[C@H](C)C(=O)NCC(=O)N[C@@H](Cc1ccccc1)C(=O)N[C@@H](CC(C)C)C(N)=O;;610.71;-0.2;;;;CHEMBL380938;CACO;ECACO;25;0;"from A to B, <a href=https://www.ebi.ac.uk/chembl/assay_report_card/CHEMBL864127/  target=_blank>CHEMBL864127</a>";;;;;;;;;-7.27;;;;;;;;;;;;"Liederer BM, Fuchs T, Vander Velde D, Siahaan TJ, Borchardt RT.: Effects of amino acid chirality and the chemical linker on the cell permeation characteristics of cyclic prodrugs of opioid peptides. J Med Chem, Volume 49 (4), 2006";ChEMBL
MM475817;MM475817;CC(=O)N[C@@H](Cc1ccc(O)cc1)C(=O)N[C@H](C)C(=O)NCC(=O)N[C@@H](Cc1ccccc1)C(=O)N[C@@H](CC(C)C)C(N)=O;;610.71;-0.2;;;;CHEMBL380938;CACO;ECACO;25;0;"from A to B, <a href=https://www.ebi.ac.uk/chembl/assay_report_card/CHEMBL864131/  target=_blank>CHEMBL864131</a>";;;;;;;;;-7.17;;;;;;;;;;;;"Liederer BM, Fuchs T, Vander Velde D, Siahaan TJ, Borchardt RT.: Effects of amino acid chirality and the chemical linker on the cell permeation characteristics of cyclic prodrugs of opioid peptides. J Med Chem, Volume 49 (4), 2006";ChEMBL
MM475817;MM475817;CC(=O)N[C@@H](Cc1ccc(O)cc1)C(=O)N[C@H](C)C(=O)NCC(=O)N[C@@H](Cc1ccccc1)C(=O)N[C@@H](CC(C)C)C(N)=O;;610.71;-0.2;;;;CHEMBL380938;CACO;ECACO;25;0;"from A to B, <a href=https://www.ebi.ac.uk/chembl/assay_report_card/CHEMBL865285/  target=_blank>CHEMBL865285</a>";;;;;;;;;-6.96;;;;;;;;;;;;"Liederer BM, Fuchs T, Vander Velde D, Siahaan TJ, Borchardt RT.: Effects of amino acid chirality and the chemical linker on the cell permeation characteristics of cyclic prodrugs of opioid peptides. J Med Chem, Volume 49 (4), 2006";ChEMBL
MM475821;MM475821;"CC(C)C[C@H]1NC(=O)[C@H](Cc2ccccc2)NC(=O)CNC(=O)[C@H](C)NC(=O)[C@H](Cc2ccc(O)cc2)NC(=O)/C=C\c2ccccc2OCOC1=O";CQTYKIZQGJDXFK-ADEWZYKOSA-N;727.82;1.91;;;;;CACO;ECACO;25;0;"from A to B, <a href=https://www.ebi.ac.uk/chembl/assay_report_card/CHEMBL864126/  target=_blank>CHEMBL864126</a>";;;;;;;;;-6.89;;;;;;;;;;;;"Liederer BM, Fuchs T, Vander Velde D, Siahaan TJ, Borchardt RT.: Effects of amino acid chirality and the chemical linker on the cell permeation characteristics of cyclic prodrugs of opioid peptides. J Med Chem, Volume 49 (4), 2006";ChEMBL
MM475821;MM475821;"CC(C)C[C@H]1NC(=O)[C@H](Cc2ccccc2)NC(=O)CNC(=O)[C@H](C)NC(=O)[C@H](Cc2ccc(O)cc2)NC(=O)/C=C\c2ccccc2OCOC1=O";CQTYKIZQGJDXFK-ADEWZYKOSA-N;727.82;1.91;;;;;CACO;ECACO;25;0;"from A to B, <a href=https://www.ebi.ac.uk/chembl/assay_report_card/CHEMBL864127/  target=_blank>CHEMBL864127</a>";;;;;;;;;-6.19;;;;;;;;;;;;"Liederer BM, Fuchs T, Vander Velde D, Siahaan TJ, Borchardt RT.: Effects of amino acid chirality and the chemical linker on the cell permeation characteristics of cyclic prodrugs of opioid peptides. J Med Chem, Volume 49 (4), 2006";ChEMBL
MM475821;MM475821;"CC(C)C[C@H]1NC(=O)[C@H](Cc2ccccc2)NC(=O)CNC(=O)[C@H](C)NC(=O)[C@H](Cc2ccc(O)cc2)NC(=O)/C=C\c2ccccc2OCOC1=O";CQTYKIZQGJDXFK-ADEWZYKOSA-N;727.82;1.91;;;;;CACO;ECACO;25;0;"from A to B, <a href=https://www.ebi.ac.uk/chembl/assay_report_card/CHEMBL864131/  target=_blank>CHEMBL864131</a>";;;;;;;;;-5.98;;;;;;;;;;;;"Liederer BM, Fuchs T, Vander Velde D, Siahaan TJ, Borchardt RT.: Effects of amino acid chirality and the chemical linker on the cell permeation characteristics of cyclic prodrugs of opioid peptides. J Med Chem, Volume 49 (4), 2006";ChEMBL
MM475821;MM475821;"CC(C)C[C@H]1NC(=O)[C@H](Cc2ccccc2)NC(=O)CNC(=O)[C@H](C)NC(=O)[C@H](Cc2ccc(O)cc2)NC(=O)/C=C\c2ccccc2OCOC1=O";CQTYKIZQGJDXFK-ADEWZYKOSA-N;727.82;1.91;;;;;CACO;ECACO;25;0;"from A to B, <a href=https://www.ebi.ac.uk/chembl/assay_report_card/CHEMBL865285/  target=_blank>CHEMBL865285</a>";;;;;;;;;-6.85;;;;;;;;;;;;"Liederer BM, Fuchs T, Vander Velde D, Siahaan TJ, Borchardt RT.: Effects of amino acid chirality and the chemical linker on the cell permeation characteristics of cyclic prodrugs of opioid peptides. J Med Chem, Volume 49 (4), 2006";ChEMBL
MM475823;MM475823;CC(C)CN(CC(O)C(Cc1ccccc1)NC(=O)OC1COC2OCCC12)S(=O)(=O)c1ccc2nc(N(C)CCCN(C)C)sc2c1;;703.93;3.79;509668;;;CHEMBL382110;CACO;ECACO;25;0;"from A to B, <a href=https://www.ebi.ac.uk/chembl/assay_report_card/CHEMBL836786/  target=_blank>CHEMBL836786</a>";;;;;;;;;-5.7;;;;;;;;;;;;"Surleraux DL, de Kock HA, Verschueren WG, Pille GM, Maes LJ, Peeters A, Vendeville S, De Meyer S, Azijn H, Pauwels R, de Bethune MP, King NM, Prabu-Jeyabalan M, Schiffer CA, Wigerinck PB.: Design of HIV-1 protease inhibitors active on multidrug-resistant virus. J Med Chem, Volume 48 (6), 2005";ChEMBL
MM475826;MM475826;"CC(C)C[C@H]1NC(=O)[C@H](Cc2ccccc2)NC(=O)CNC(=O)[C@@H](C)NC(=O)[C@H](Cc2ccc(O)cc2)NC(=O)/C=C\c2ccccc2OCOC1=O";CQTYKIZQGJDXFK-SDPVFGLVSA-N;727.82;1.91;;;;;CACO;ECACO;25;0;"from A to B, <a href=https://www.ebi.ac.uk/chembl/assay_report_card/CHEMBL864126/  target=_blank>CHEMBL864126</a>";;;;;;;;;-6.6;;;;;;;;;;;;"Liederer BM, Fuchs T, Vander Velde D, Siahaan TJ, Borchardt RT.: Effects of amino acid chirality and the chemical linker on the cell permeation characteristics of cyclic prodrugs of opioid peptides. J Med Chem, Volume 49 (4), 2006";ChEMBL
MM475826;MM475826;"CC(C)C[C@H]1NC(=O)[C@H](Cc2ccccc2)NC(=O)CNC(=O)[C@@H](C)NC(=O)[C@H](Cc2ccc(O)cc2)NC(=O)/C=C\c2ccccc2OCOC1=O";CQTYKIZQGJDXFK-SDPVFGLVSA-N;727.82;1.91;;;;;CACO;ECACO;25;0;"from A to B, <a href=https://www.ebi.ac.uk/chembl/assay_report_card/CHEMBL864127/  target=_blank>CHEMBL864127</a>";;;;;;;;;-6.29;;;;;;;;;;;;"Liederer BM, Fuchs T, Vander Velde D, Siahaan TJ, Borchardt RT.: Effects of amino acid chirality and the chemical linker on the cell permeation characteristics of cyclic prodrugs of opioid peptides. J Med Chem, Volume 49 (4), 2006";ChEMBL
MM475826;MM475826;"CC(C)C[C@H]1NC(=O)[C@H](Cc2ccccc2)NC(=O)CNC(=O)[C@@H](C)NC(=O)[C@H](Cc2ccc(O)cc2)NC(=O)/C=C\c2ccccc2OCOC1=O";CQTYKIZQGJDXFK-SDPVFGLVSA-N;727.82;1.91;;;;;CACO;ECACO;25;0;"from A to B, <a href=https://www.ebi.ac.uk/chembl/assay_report_card/CHEMBL864131/  target=_blank>CHEMBL864131</a>";;;;;;;;;-6.08;;;;;;;;;;;;"Liederer BM, Fuchs T, Vander Velde D, Siahaan TJ, Borchardt RT.: Effects of amino acid chirality and the chemical linker on the cell permeation characteristics of cyclic prodrugs of opioid peptides. J Med Chem, Volume 49 (4), 2006";ChEMBL
MM475826;MM475826;"CC(C)C[C@H]1NC(=O)[C@H](Cc2ccccc2)NC(=O)CNC(=O)[C@@H](C)NC(=O)[C@H](Cc2ccc(O)cc2)NC(=O)/C=C\c2ccccc2OCOC1=O";CQTYKIZQGJDXFK-SDPVFGLVSA-N;727.82;1.91;;;;;CACO;ECACO;25;0;"from A to B, <a href=https://www.ebi.ac.uk/chembl/assay_report_card/CHEMBL865285/  target=_blank>CHEMBL865285</a>";;;;;;;;;-6.7;;;;;;;;;;;;"Liederer BM, Fuchs T, Vander Velde D, Siahaan TJ, Borchardt RT.: Effects of amino acid chirality and the chemical linker on the cell permeation characteristics of cyclic prodrugs of opioid peptides. J Med Chem, Volume 49 (4), 2006";ChEMBL
MM475829;MM475829;CC(c1ccc(Cl)cc1)N1C(=O)c2cc(I)ccc2N(CCCCC(=O)O)C(=O)C1c1ccc(C(F)(F)F)cc1;;684.88;7.51;11952816;;;CHEMBL383727;CACO;ECACO;25;0;"from A to B, <a href=https://www.ebi.ac.uk/chembl/assay_report_card/CHEMBL853094/  target=_blank>CHEMBL853094</a>";;;;;;;;;-4.99;;;;;;;;;;;;"Parks DJ, LaFrance LV, Calvo RR, Milkiewicz KL, Marugán JJ, Raboisson P, Schubert C, Koblish HK, Zhao S, Franks CF, Lattanze J, Carver TE, Cummings MD, Maguire D, Grasberger BL, Maroney AC, Lu T.: Enhanced pharmacokinetic properties of 1,4-benzodiazepine-2,5-dione antagonists of the HDM2-p53 protein-protein interaction through structure-based drug design. Bioorg Med Chem Lett, Volume 16 (12), 2006";ChEMBL
MM475836;MM475836;CC(C)c1nnc2ccc(-c3cnoc3-c3cc(F)ccc3F)cn12;;340.33;4.45;23647349;;;CHEMBL386033;CACO;ECACO;25;0;"from A to B, <a href=https://www.ebi.ac.uk/chembl/assay_report_card/CHEMBL867927/  target=_blank>CHEMBL867927</a>";;;;;;;;;-4.39;;;;;;;;;;;;"McClure KF, Letavic MA, Kalgutkar AS, Gabel CA, Audoly L, Barberia JT, Braganza JF, Carter D, Carty TJ, Cortina SR, Dombroski MA, Donahue KM, Elliott NC, Gibbons CP, Jordan CK, Kuperman AV, Labasi JM, Laliberte RE, McCoy JM, Naiman BM, Nelson KL, Nguyen HT, Peese KM, Sweeney FJ, Taylor TJ, Trebino CE, Abramov YA, Laird ER, Volberg WA, Zhou J, Bach J, Lombardo F.: Structure-activity relationships of triazolopyridine oxazole p38 inhibitors: identification of candidates for clinical development. Bioorg Med Chem Lett, Volume 16 (16), 2006";ChEMBL
MM472519;MM472519;c1ccc(Nc2ccccc2)cc1;DMBHHRLKUKUOEG-UHFFFAOYSA-N;169.23;3.43;;;;;CACO;ECACO;25;0;"from A to B, <a href=https://www.ebi.ac.uk/chembl/assay_report_card/CHEMBL905616/  target=_blank>CHEMBL905616</a>";;;;;;;;;-4.4;;;;;;;;;;;;"Fujikawa M, Nakao K, Shimizu R, Akamatsu M.: QSAR study on permeability of hydrophobic compounds with artificial membranes. Bioorg Med Chem, Volume 15 (11), 3756-3767, 2007";ChEMBL
MM472521;MM472521;CC(C)(C)N(NC(=O)c1ccccc1)C(=O)c1ccccc1;;296.37;3.27;;;;CHEMBL387744;CACO;ECACO;25;0;"from A to B, <a href=https://www.ebi.ac.uk/chembl/assay_report_card/CHEMBL905616/  target=_blank>CHEMBL905616</a>";;;;;;;;;-4.34;;;;;;;;;;;;"Fujikawa M, Nakao K, Shimizu R, Akamatsu M.: QSAR study on permeability of hydrophobic compounds with artificial membranes. Bioorg Med Chem, Volume 15 (11), 3756-3767, 2007";ChEMBL
MM475839;MM475839;NCCCCC(N)CC(=O)NC(CC(=O)O)Cc1ccccc1;;321.42;1.04;23630521;;;CHEMBL388214;CACO;ECACO;25;0;"from A to B, <a href=https://www.ebi.ac.uk/chembl/assay_report_card/CHEMBL896856/  target=_blank>CHEMBL896856</a>";;;;;;;;;-7.35;;;;;;;;;;;;"Hubatsch I, Arvidsson PI, Seebach D, Luthman K, Artursson P.: Beta- and gamma-di- and tripeptides as potential substrates for the oligopeptide transporter hPepT1. J Med Chem, Volume 50 (21), 2007";ChEMBL
MM475839;MM475839;NCCCCC(N)CC(=O)NC(CC(=O)O)Cc1ccccc1;;321.42;1.04;23630521;;;CHEMBL388214;CACO;ECACO;25;0;"from A to B, <a href=https://www.ebi.ac.uk/chembl/assay_report_card/CHEMBL896857/  target=_blank>CHEMBL896857</a>";;;;;;;;;-7.14;;;;;;;;;;;;"Hubatsch I, Arvidsson PI, Seebach D, Luthman K, Artursson P.: Beta- and gamma-di- and tripeptides as potential substrates for the oligopeptide transporter hPepT1. J Med Chem, Volume 50 (21), 2007";ChEMBL
MM472529;MM472529;CC(C)OP(=O)(OC(C)C)SCc1ccccc1;FCOAHACKGGIURQ-UHFFFAOYSA-N;288.35;4.88;;;;;CACO;ECACO;25;0;"from A to B, <a href=https://www.ebi.ac.uk/chembl/assay_report_card/CHEMBL905616/  target=_blank>CHEMBL905616</a>";;;;;;;;;-4.28;;;;;;;;;;;;"Fujikawa M, Nakao K, Shimizu R, Akamatsu M.: QSAR study on permeability of hydrophobic compounds with artificial membranes. Bioorg Med Chem, Volume 15 (11), 3756-3767, 2007";ChEMBL
MM475840;MM475840;CC(CC(=O)O)NC(=S)CC(N)C(C)C;;232.35;1.14;23630525;;;CHEMBL388427;CACO;ECACO;25;0;"from A to B, <a href=https://www.ebi.ac.uk/chembl/assay_report_card/CHEMBL896856/  target=_blank>CHEMBL896856</a>";;;;;;;;;-6.41;;;;;;;;;;;;"Hubatsch I, Arvidsson PI, Seebach D, Luthman K, Artursson P.: Beta- and gamma-di- and tripeptides as potential substrates for the oligopeptide transporter hPepT1. J Med Chem, Volume 50 (21), 2007";ChEMBL
MM475840;MM475840;CC(CC(=O)O)NC(=S)CC(N)C(C)C;;232.35;1.14;23630525;;;CHEMBL388427;CACO;ECACO;25;0;"from A to B, <a href=https://www.ebi.ac.uk/chembl/assay_report_card/CHEMBL896857/  target=_blank>CHEMBL896857</a>";;;;;;;;;-6.12;;;;;;;;;;;;"Hubatsch I, Arvidsson PI, Seebach D, Luthman K, Artursson P.: Beta- and gamma-di- and tripeptides as potential substrates for the oligopeptide transporter hPepT1. J Med Chem, Volume 50 (21), 2007";ChEMBL
MM472531;MM472531;CCOP(=S)(OCC)Oc1cc(C)nc(C(C)C)n1;;304.35;3.58;;;;CHEMBL388560;CACO;ECACO;25;0;"from A to B, <a href=https://www.ebi.ac.uk/chembl/assay_report_card/CHEMBL905616/  target=_blank>CHEMBL905616</a>";;;;;;;;;-4.32;;;;;;;;;;;;"Fujikawa M, Nakao K, Shimizu R, Akamatsu M.: QSAR study on permeability of hydrophobic compounds with artificial membranes. Bioorg Med Chem, Volume 15 (11), 3756-3767, 2007";ChEMBL
MM475845;MM475845;CCCC1(CC(=O)O)OCCc2c1[nH]c1c(C)ccc(C#N)c21;;312.37;3.39;3013096;;;CHEMBL390282;CACO;ECACO;25;0;"from A to B, <a href=https://www.ebi.ac.uk/chembl/assay_report_card/CHEMBL1109067/  target=_blank>CHEMBL1109067</a>";;;;;;;;;-4.62;;;;;;;;;;;;"LaPorte MG, Draper TL, Miller LE, Blackledge CW, Leister LK, Amparo E, Hussey AR, Young DC, Chunduru SK, Benetatos CA, Rhodes G, Gopalsamy A, Herbertz T, Burns CJ, Condon SM.: The discovery and structure-activity relationships of pyrano[3,4-b]indole based inhibitors of hepatitis C virus NS5B polymerase. Bioorg Med Chem Lett, Volume 20 (9), 2010";ChEMBL
MM475850;MM475850;CCc1nc(N)nc(N)c1-c1ccc2c(c1)N(CCNC(C)=O)C(=O)[C@](C)(c1ccccc1)O2;UQHQDWYHACOCCN-VWLOTQADSA-N;460.54;2.65;;;;;CACO;ECACO;25;0;"from A to B, <a href=https://www.ebi.ac.uk/chembl/assay_report_card/CHEMBL898578/  target=_blank>CHEMBL898578</a>";;;;;;;;;-5.68;;;;;;;;;;;;"Powell NA, Ciske FL, Cai C, Holsworth DD, Mennen K, Van Huis CA, Jalaie M, Day J, Mastronardi M, McConnell P, Mochalkin I, Zhang E, Ryan MJ, Bryant J, Collard W, Ferreira S, Gu C, Collins R, Edmunds JJ.: Rational design of 6-(2,4-diaminopyrimidinyl)-1,4-benzoxazin-3-ones as small molecule renin inhibitors. Bioorg Med Chem, Volume 15 (17), 2007";ChEMBL
MM475852;MM475852;C[C@@H]1O[C@H](c2ccc(Cl)cc2)OC[C@H]1N;;227.69;2.1;;;;CHEMBL391607;CACO;ECACO;25;0;"from A to B, <a href=https://www.ebi.ac.uk/chembl/assay_report_card/CHEMBL923278/  target=_blank>CHEMBL923278</a>";;;;;;;;;-4.93;;;;;;;;;;;;"Gu K, Bi L, Zhao M, Wang C, Ju J, Peng S.: Toward the development of chemoprevention agents. Part II: Chemo-enzymatic synthesis and anti-inflammatory activities of a new class of 5-amino-2-substitutedphenyl-1,3-dioxacycloalkanes. Bioorg Med Chem, Volume 15 (18), 2007";ChEMBL
MM475860;MM475860;Cc1c(CN(CCc2ccc([N+](=O)[O-])cc2)C2CCN(C(=O)c3ccccn3)CC2)c(=O)n(-c2ccc(F)cc2)n1C;LIJGGUJVCSVBQZ-UHFFFAOYSA-N;572.64;4.28;;;;;CACO;ECACO;25;+1,-1;"from A to B, <a href=https://www.ebi.ac.uk/chembl/assay_report_card/CHEMBL888299/  target=_blank>CHEMBL888299</a>";;;;;;;;;-5.11;;;;;;;;;;;;"Pégurier C, Collart P, Danhaive P, Defays S, Gillard M, Gilson F, Kogej T, Pasau P, Van Houtvin N, Van Thuyne M, van Keulen B.: Pyrazolone methylamino piperidine derivatives as novel CCR3 antagonists. Bioorg Med Chem Lett, Volume 17 (15), 2007";ChEMBL
MM475861;MM475861;Cn1cncc1CN1CC(N(Cc2cccc(-n3cccc3)c2)S(=O)(=O)c2ccccn2)Cc2cc(C#N)ccc21;;563.69;4.3;17758781;;;CHEMBL392233;CACO;ECACO;25;0;"from A to B, <a href=https://www.ebi.ac.uk/chembl/assay_report_card/CHEMBL967838/  target=_blank>CHEMBL967838</a>";;;;;;;;;-5.64;;;;;;;;;;;;"Van Voorhis WC, Rivas KL, Bendale P, Nallan L, Hornéy C, Barrett LK, Bauer KD, Smart BP, Ankala S, Hucke O, Verlinde CL, Chakrabarti D, Strickland C, Yokoyama K, Buckner FS, Hamilton AD, Williams DK, Lombardo LJ, Floyd D, Gelb MH.: Efficacy, pharmacokinetics, and metabolism of tetrahydroquinoline inhibitors of Plasmodium falciparum protein farnesyltransferase. Antimicrob Agents Chemother, Volume 51 (10), 2007";ChEMBL
MM475862;MM475862;CC(C)COC(=O)N1CCC(CN(C2Cc3cc(C#N)ccc3N(Cc3cncn3C)C2)S(=O)(=O)c2ccccn2)CC1;KMDYZZOYCZPGES-UHFFFAOYSA-N;605.77;3.81;17758430;;;CHEMBL392237;CACO;ECACO;25;0;"from A to B, <a href=https://www.ebi.ac.uk/chembl/assay_report_card/CHEMBL967838/  target=_blank>CHEMBL967838</a>";;;;;;;;;-5.12;;;;;;;;;;;;"Van Voorhis WC, Rivas KL, Bendale P, Nallan L, Hornéy C, Barrett LK, Bauer KD, Smart BP, Ankala S, Hucke O, Verlinde CL, Chakrabarti D, Strickland C, Yokoyama K, Buckner FS, Hamilton AD, Williams DK, Lombardo LJ, Floyd D, Gelb MH.: Efficacy, pharmacokinetics, and metabolism of tetrahydroquinoline inhibitors of Plasmodium falciparum protein farnesyltransferase. Antimicrob Agents Chemother, Volume 51 (10), 2007";ChEMBL
MM475864;MM475864;Cc1c(CN(CCc2ccc(Cl)cc2)C2CCN(C(=O)c3cccc[n+]3[O-])CC2)c(=O)n(-c2ccc(F)cc2)n1C;PYOGILABXFGYCT-UHFFFAOYSA-N;578.09;4.26;;;;;CACO;ECACO;25;+1,-1;"from A to B, <a href=https://www.ebi.ac.uk/chembl/assay_report_card/CHEMBL888299/  target=_blank>CHEMBL888299</a>";;;;;;;;;-5.89;;;;;;;;;;;;"Pégurier C, Collart P, Danhaive P, Defays S, Gillard M, Gilson F, Kogej T, Pasau P, Van Houtvin N, Van Thuyne M, van Keulen B.: Pyrazolone methylamino piperidine derivatives as novel CCR3 antagonists. Bioorg Med Chem Lett, Volume 17 (15), 2007";ChEMBL
MM475867;MM475867;O=C(Cc1ccccc1)N[C@H]1CO[C@H](/C=C/c2ccccc2)OC1;;323.39;2.8;;;;CHEMBL392590;CACO;ECACO;25;0;"from A to B, <a href=https://www.ebi.ac.uk/chembl/assay_report_card/CHEMBL923278/  target=_blank>CHEMBL923278</a>";;;;;;;;;-5.05;;;;;;;;;;;;"Gu K, Bi L, Zhao M, Wang C, Ju J, Peng S.: Toward the development of chemoprevention agents. Part II: Chemo-enzymatic synthesis and anti-inflammatory activities of a new class of 5-amino-2-substitutedphenyl-1,3-dioxacycloalkanes. Bioorg Med Chem, Volume 15 (18), 2007";ChEMBL
MM475868;MM475868;CSc1ccccc1CNc1ncc([N+](=O)[O-])c(NCC2CCC(CN)CC2)n1;;416.55;3.9;;;;CHEMBL392642;CACO;ECACO;25;+1,-1;"from A to B, <a href=https://www.ebi.ac.uk/chembl/assay_report_card/CHEMBL902310/  target=_blank>CHEMBL902310</a>";;;;;;;;;-5.8;;;;;;;;;;;;"Cywin CL, Dahmann G, Prokopowicz AS, Young ER, Magolda RL, Cardozo MG, Cogan DA, Disalvo D, Ginn JD, Kashem MA, Wolak JP, Homon CA, Farrell TM, Grbic H, Hu H, Kaplita PV, Liu LH, Spero DM, Jeanfavre DD, O'Shea KM, White DM, Woska JR, Brown ML.: Discovery of potent and selective PKC-theta inhibitors. Bioorg Med Chem Lett, Volume 17 (1), 2007";ChEMBL
MM475871;MM475871;C[C@@H]1O[C@H](c2ccc([N+](=O)[O-])cc2)OC[C@H]1N;;238.24;1.36;;;;CHEMBL393099;CACO;ECACO;25;+1,-1;"from A to B, <a href=https://www.ebi.ac.uk/chembl/assay_report_card/CHEMBL923278/  target=_blank>CHEMBL923278</a>";;;;;;;;;-4.89;;;;;;;;;;;;"Gu K, Bi L, Zhao M, Wang C, Ju J, Peng S.: Toward the development of chemoprevention agents. Part II: Chemo-enzymatic synthesis and anti-inflammatory activities of a new class of 5-amino-2-substitutedphenyl-1,3-dioxacycloalkanes. Bioorg Med Chem, Volume 15 (18), 2007";ChEMBL
MM475872;MM475872;CCOCCCN1C(=O)C(C)(c2cc(F)cc(F)c2)Oc2ccc(-c3c(N)nc(N)nc3CC)cc21;IPXPSGDBCIRUBU-UHFFFAOYSA-N;497.55;4.22;;;;;CACO;ECACO;25;0;"from A to B, <a href=https://www.ebi.ac.uk/chembl/assay_report_card/CHEMBL898578/  target=_blank>CHEMBL898578</a>";;;;;;;;;-4.89;;;;;;;;;;;;"Powell NA, Ciske FL, Cai C, Holsworth DD, Mennen K, Van Huis CA, Jalaie M, Day J, Mastronardi M, McConnell P, Mochalkin I, Zhang E, Ryan MJ, Bryant J, Collard W, Ferreira S, Gu C, Collins R, Edmunds JJ.: Rational design of 6-(2,4-diaminopyrimidinyl)-1,4-benzoxazin-3-ones as small molecule renin inhibitors. Bioorg Med Chem, Volume 15 (17), 2007";ChEMBL
MM475873;MM475873;CCc1nc(N)nc(N)c1-c1ccc2c(c1)N(CCCO)C(=O)C(C)(c1cc(F)cc(F)c1)O2;BZQDCQHUEYPQIB-UHFFFAOYSA-N;469.49;3.17;;;;;CACO;ECACO;25;0;"from A to B, <a href=https://www.ebi.ac.uk/chembl/assay_report_card/CHEMBL898578/  target=_blank>CHEMBL898578</a>";;;;;;;;;-5;;;;;;;;;;;;"Powell NA, Ciske FL, Cai C, Holsworth DD, Mennen K, Van Huis CA, Jalaie M, Day J, Mastronardi M, McConnell P, Mochalkin I, Zhang E, Ryan MJ, Bryant J, Collard W, Ferreira S, Gu C, Collins R, Edmunds JJ.: Rational design of 6-(2,4-diaminopyrimidinyl)-1,4-benzoxazin-3-ones as small molecule renin inhibitors. Bioorg Med Chem, Volume 15 (17), 2007";ChEMBL
MM475874;MM475874;C=C(c1ccccc1)C1OCC(N)C(C)O1;;219.28;1.79;44438014;;;CHEMBL393300;CACO;ECACO;25;0;"from A to B, <a href=https://www.ebi.ac.uk/chembl/assay_report_card/CHEMBL923278/  target=_blank>CHEMBL923278</a>";;;;;;;;;-4.99;;;;;;;;;;;;"Gu K, Bi L, Zhao M, Wang C, Ju J, Peng S.: Toward the development of chemoprevention agents. Part II: Chemo-enzymatic synthesis and anti-inflammatory activities of a new class of 5-amino-2-substitutedphenyl-1,3-dioxacycloalkanes. Bioorg Med Chem, Volume 15 (18), 2007";ChEMBL
MM475875;MM475875;C=C(c1ccccc1)[C@@H]1OC[C@@H](N)[C@H](C)O1;;219.28;1.79;;;;CHEMBL393301;CACO;ECACO;25;0;"from A to B, <a href=https://www.ebi.ac.uk/chembl/assay_report_card/CHEMBL923278/  target=_blank>CHEMBL923278</a>";;;;;;;;;-4.99;;;;;;;;;;;;"Gu K, Bi L, Zhao M, Wang C, Ju J, Peng S.: Toward the development of chemoprevention agents. Part II: Chemo-enzymatic synthesis and anti-inflammatory activities of a new class of 5-amino-2-substitutedphenyl-1,3-dioxacycloalkanes. Bioorg Med Chem, Volume 15 (18), 2007";ChEMBL
MM475876;MM475876;Cn1cnc(S(=O)(=O)N(Cc2ccccn2)C2Cc3cc(C#N)ccc3N(Cc3cncn3C)C2)c1;;502.6;2.24;17758219;;;CHEMBL393326;CACO;ECACO;25;0;"from A to B, <a href=https://www.ebi.ac.uk/chembl/assay_report_card/CHEMBL967838/  target=_blank>CHEMBL967838</a>";;;;;;;;;-6.7;;;;;;;;;;;;"Van Voorhis WC, Rivas KL, Bendale P, Nallan L, Hornéy C, Barrett LK, Bauer KD, Smart BP, Ankala S, Hucke O, Verlinde CL, Chakrabarti D, Strickland C, Yokoyama K, Buckner FS, Hamilton AD, Williams DK, Lombardo LJ, Floyd D, Gelb MH.: Efficacy, pharmacokinetics, and metabolism of tetrahydroquinoline inhibitors of Plasmodium falciparum protein farnesyltransferase. Antimicrob Agents Chemother, Volume 51 (10), 2007";ChEMBL
MM475877;MM475877;CCc1nc(N)nc(N)c1-c1ccc2c(c1)N(CCNC(C)=O)C(=O)C(C)(c1cccc(C(F)(F)F)c1)O2;ONRGYKGRPVMXIR-UHFFFAOYSA-N;528.54;3.67;;;;;CACO;ECACO;25;0;"from A to B, <a href=https://www.ebi.ac.uk/chembl/assay_report_card/CHEMBL898578/  target=_blank>CHEMBL898578</a>";;;;;;;;;-5.06;;;;;;;;;;;;"Powell NA, Ciske FL, Cai C, Holsworth DD, Mennen K, Van Huis CA, Jalaie M, Day J, Mastronardi M, McConnell P, Mochalkin I, Zhang E, Ryan MJ, Bryant J, Collard W, Ferreira S, Gu C, Collins R, Edmunds JJ.: Rational design of 6-(2,4-diaminopyrimidinyl)-1,4-benzoxazin-3-ones as small molecule renin inhibitors. Bioorg Med Chem, Volume 15 (17), 2007";ChEMBL
MM475878;MM475878;CC(C)CC(NCCN)c1cccc(F)c1N1CCN(C(=O)C(Cc2ccc(Cl)cc2Cl)N2CCCC2=O)CC1;;592.59;4.65;24180646;;;CHEMBL393576;CACO;ECACO;25;0;"from A to B, <a href=https://www.ebi.ac.uk/chembl/assay_report_card/CHEMBL901398/  target=_blank>CHEMBL901398</a>";;;;;;;;;-5.7;;;;;;;;;;;;"Tran JA, Jiang W, Tucci FC, Fleck BA, Wen J, Sai Y, Madan A, Chen TK, Markison S, Foster AC, Hoare SR, Marks D, Harman J, Chen CW, Arellano M, Marinkovic D, Bozigian H, Saunders J, Chen C.: Design, synthesis, in vitro, and in vivo characterization of phenylpiperazines and pyridinylpiperazines as potent and selective antagonists of the melanocortin-4 receptor. J Med Chem, Volume 50 (25), 2007";ChEMBL
MM475881;MM475881;Cn1cncc1CN1CC(N(CC2CCN(C(=O)C(C)(C)C)CC2)S(=O)(=O)c2ccccn2)Cc2cc(C#N)ccc21;CELUTJFWLRRYCZ-UHFFFAOYSA-N;589.77;3.59;17757983;;;CHEMBL394085;CACO;ECACO;25;0;"from A to B, <a href=https://www.ebi.ac.uk/chembl/assay_report_card/CHEMBL967838/  target=_blank>CHEMBL967838</a>";;;;;;;;;-6.3;;;;;;;;;;;;"Van Voorhis WC, Rivas KL, Bendale P, Nallan L, Hornéy C, Barrett LK, Bauer KD, Smart BP, Ankala S, Hucke O, Verlinde CL, Chakrabarti D, Strickland C, Yokoyama K, Buckner FS, Hamilton AD, Williams DK, Lombardo LJ, Floyd D, Gelb MH.: Efficacy, pharmacokinetics, and metabolism of tetrahydroquinoline inhibitors of Plasmodium falciparum protein farnesyltransferase. Antimicrob Agents Chemother, Volume 51 (10), 2007";ChEMBL
MM475882;MM475882;Cc1noc(C)c1CN(C1Cc2cc(C#N)ccc2N(Cc2cncn2C)C1)S(=O)(=O)c1ccccn1;;517.62;3.11;17758426;;;CHEMBL394147;CACO;ECACO;25;0;"from A to B, <a href=https://www.ebi.ac.uk/chembl/assay_report_card/CHEMBL967838/  target=_blank>CHEMBL967838</a>";;;;;;;;;-5.1;;;;;;;;;;;;"Van Voorhis WC, Rivas KL, Bendale P, Nallan L, Hornéy C, Barrett LK, Bauer KD, Smart BP, Ankala S, Hucke O, Verlinde CL, Chakrabarti D, Strickland C, Yokoyama K, Buckner FS, Hamilton AD, Williams DK, Lombardo LJ, Floyd D, Gelb MH.: Efficacy, pharmacokinetics, and metabolism of tetrahydroquinoline inhibitors of Plasmodium falciparum protein farnesyltransferase. Antimicrob Agents Chemother, Volume 51 (10), 2007";ChEMBL
MM475894;MM475894;NC(=O)CN1C(=O)C(NC(=O)c2cc3cc(Cl)sc3[nH]2)Cc2ccccc21;;402.86;2.06;10476254;;;CHEMBL395955;CACO;ECACO;25;0;"from A to B, <a href=https://www.ebi.ac.uk/chembl/assay_report_card/CHEMBL889960/  target=_blank>CHEMBL889960</a>";;;;;;;;;-4.92;;;;;;;;;;;;"Birch AM, Kenny PW, Oikonomakos NG, Otterbein L, Schofield P, Whittamore PR, Whalley DP.: Development of potent, orally active 1-substituted-3,4-dihydro-2-quinolone glycogen phosphorylase inhibitors. Bioorg Med Chem Lett, Volume 17 (2), 2007";ChEMBL
MM475902;MM475902;CC(C)CC(c1c(O)c(C=O)c(O)c(C=O)c1O)C1(C)CCC2C1C1C(CCC2(C)O)C1(C)C;;472.62;5.41;454457;;;CHEMBL396609;CACO;ECACO;25;0;"from A to B, <a href=https://www.ebi.ac.uk/chembl/assay_report_card/CHEMBL885398/  target=_blank>CHEMBL885398</a>";;;;;;;;;-5.78;;;;;;;;;;;;"Yang XW, Guo QM, Wang Y, Xu W, Tian L, Tian XJ.: Intestinal permeability of antivirus constituents from the fruits of Eucalyptus globulus Labill. in Caco-2 Cell Model. Bioorg Med Chem Lett, Volume 17 (4), 2007";ChEMBL
MM475902;MM475902;CC(C)CC(c1c(O)c(C=O)c(O)c(C=O)c1O)C1(C)CCC2C1C1C(CCC2(C)O)C1(C)C;;472.62;5.41;454457;;;CHEMBL396609;CACO;ECACO;25;0;"from A to B, <a href=https://www.ebi.ac.uk/chembl/assay_report_card/CHEMBL885399/  target=_blank>CHEMBL885399</a>";;;;;;;;;-5.79;;;;;;;;;;;;"Yang XW, Guo QM, Wang Y, Xu W, Tian L, Tian XJ.: Intestinal permeability of antivirus constituents from the fruits of Eucalyptus globulus Labill. in Caco-2 Cell Model. Bioorg Med Chem Lett, Volume 17 (4), 2007";ChEMBL
MM475902;MM475902;CC(C)CC(c1c(O)c(C=O)c(O)c(C=O)c1O)C1(C)CCC2C1C1C(CCC2(C)O)C1(C)C;;472.62;5.41;454457;;;CHEMBL396609;CACO;ECACO;25;0;"from A to B, <a href=https://www.ebi.ac.uk/chembl/assay_report_card/CHEMBL885400/  target=_blank>CHEMBL885400</a>";;;;;;;;;-5.74;;;;;;;;;;;;"Yang XW, Guo QM, Wang Y, Xu W, Tian L, Tian XJ.: Intestinal permeability of antivirus constituents from the fruits of Eucalyptus globulus Labill. in Caco-2 Cell Model. Bioorg Med Chem Lett, Volume 17 (4), 2007";ChEMBL
MM475903;MM475903;CC(C)C[C@H](c1c(O)c(C=O)c(O)c(C=O)c1O)[C@@]1(C)CC[C@@H]2[C@@H]1[C@H]1[C@@H](CC[C@@]2(C)O)C1(C)C;;472.62;5.41;;;;CHEMBL396848;CACO;ECACO;25;0;"from A to B, <a href=https://www.ebi.ac.uk/chembl/assay_report_card/CHEMBL885398/  target=_blank>CHEMBL885398</a>";;;;;;;;;-5.64;;;;;;;;;;;;"Yang XW, Guo QM, Wang Y, Xu W, Tian L, Tian XJ.: Intestinal permeability of antivirus constituents from the fruits of Eucalyptus globulus Labill. in Caco-2 Cell Model. Bioorg Med Chem Lett, Volume 17 (4), 2007";ChEMBL
MM475903;MM475903;CC(C)C[C@H](c1c(O)c(C=O)c(O)c(C=O)c1O)[C@@]1(C)CC[C@@H]2[C@@H]1[C@H]1[C@@H](CC[C@@]2(C)O)C1(C)C;;472.62;5.41;;;;CHEMBL396848;CACO;ECACO;25;0;"from A to B, <a href=https://www.ebi.ac.uk/chembl/assay_report_card/CHEMBL885399/  target=_blank>CHEMBL885399</a>";;;;;;;;;-5.77;;;;;;;;;;;;"Yang XW, Guo QM, Wang Y, Xu W, Tian L, Tian XJ.: Intestinal permeability of antivirus constituents from the fruits of Eucalyptus globulus Labill. in Caco-2 Cell Model. Bioorg Med Chem Lett, Volume 17 (4), 2007";ChEMBL
MM475903;MM475903;CC(C)C[C@H](c1c(O)c(C=O)c(O)c(C=O)c1O)[C@@]1(C)CC[C@@H]2[C@@H]1[C@H]1[C@@H](CC[C@@]2(C)O)C1(C)C;;472.62;5.41;;;;CHEMBL396848;CACO;ECACO;25;0;"from A to B, <a href=https://www.ebi.ac.uk/chembl/assay_report_card/CHEMBL885400/  target=_blank>CHEMBL885400</a>";;;;;;;;;-5.79;;;;;;;;;;;;"Yang XW, Guo QM, Wang Y, Xu W, Tian L, Tian XJ.: Intestinal permeability of antivirus constituents from the fruits of Eucalyptus globulus Labill. in Caco-2 Cell Model. Bioorg Med Chem Lett, Volume 17 (4), 2007";ChEMBL
MM475905;MM475905;CC(Cc1cccc(CC(=O)NCc2c(F)cccc2Cl)c1)NCC(O)c1ccc(O)c(CO)c1;NQVMGLYGFGYGNF-QUGAMOGWSA-N;501;3.79;11375488;;;CHEMBL397216;CACO;ECACO;25;0;"from A to B, <a href=https://www.ebi.ac.uk/chembl/assay_report_card/CHEMBL889146/  target=_blank>CHEMBL889146</a>";;;;;;;;;-6;;;;;;;;;;;;"Brown AD, Bunnage ME, Glossop PA, James K, Jones R, Lane CA, Lewthwaite RA, Mantell S, Perros-Huguet C, Price DA, Trevethick M, Webster R.: The discovery of long acting beta2-adrenoreceptor agonists. Bioorg Med Chem Lett, Volume 17 (14), 2007";ChEMBL
MM475906;MM475906;CC(CO)Nc1nc(SCc2cccc(F)c2F)nc2nc(N)sc12;;383.45;3.03;11440492;;;CHEMBL397237;CACO;ECACO;25;0;"from A to B, <a href=https://www.ebi.ac.uk/chembl/assay_report_card/CHEMBL893610/  target=_blank>CHEMBL893610</a>";;;;;;;;;-5.61;;;;;;;;;;;;"Hunt F, Austin C, Austin R, Bonnert R, Cage P, Christie J, Christie M, Dixon C, Hill S, Jewell R, Martin I, Robinson D, Willis P.: SAR studies on thiazolo[4,5-d]pyrimidine based CXCR2 antagonists involving a novel tandem displacement reaction. Bioorg Med Chem Lett, Volume 17 (10), 2007";ChEMBL
MM475908;MM475908;CCCC(CC(C)NC(=O)C(C)CC(NC(=O)C(Cc1ccccc1)CC(C)N)C(C)C)C(=O)O;;489.7;4.15;23631917;;;CHEMBL397682;CACO;ECACO;25;0;"from A to B, <a href=https://www.ebi.ac.uk/chembl/assay_report_card/CHEMBL896856/  target=_blank>CHEMBL896856</a>";;;;;;;;;-7.55;;;;;;;;;;;;"Hubatsch I, Arvidsson PI, Seebach D, Luthman K, Artursson P.: Beta- and gamma-di- and tripeptides as potential substrates for the oligopeptide transporter hPepT1. J Med Chem, Volume 50 (21), 2007";ChEMBL
MM475908;MM475908;CCCC(CC(C)NC(=O)C(C)CC(NC(=O)C(Cc1ccccc1)CC(C)N)C(C)C)C(=O)O;;489.7;4.15;23631917;;;CHEMBL397682;CACO;ECACO;25;0;"from A to B, <a href=https://www.ebi.ac.uk/chembl/assay_report_card/CHEMBL896857/  target=_blank>CHEMBL896857</a>";;;;;;;;;-7.48;;;;;;;;;;;;"Hubatsch I, Arvidsson PI, Seebach D, Luthman K, Artursson P.: Beta- and gamma-di- and tripeptides as potential substrates for the oligopeptide transporter hPepT1. J Med Chem, Volume 50 (21), 2007";ChEMBL
MM475909;MM475909;O=C(NC1Cc2ccccc2N(CC(CO)CO)C1=O)c1cc2cc(Cl)sc2[nH]1;;433.92;2.17;10094429;;;CHEMBL397688;CACO;ECACO;25;0;"from A to B, <a href=https://www.ebi.ac.uk/chembl/assay_report_card/CHEMBL889960/  target=_blank>CHEMBL889960</a>";;;;;;;;;-4.77;;;;;;;;;;;;"Birch AM, Kenny PW, Oikonomakos NG, Otterbein L, Schofield P, Whittamore PR, Whalley DP.: Development of potent, orally active 1-substituted-3,4-dihydro-2-quinolone glycogen phosphorylase inhibitors. Bioorg Med Chem Lett, Volume 17 (2), 2007";ChEMBL
MM475911;MM475911;CC1OC(c2ccc(Cl)cc2)OCC1N;;227.69;2.1;44438006;;;CHEMBL398078;CACO;ECACO;25;0;"from A to B, <a href=https://www.ebi.ac.uk/chembl/assay_report_card/CHEMBL923278/  target=_blank>CHEMBL923278</a>";;;;;;;;;-4.92;;;;;;;;;;;;"Gu K, Bi L, Zhao M, Wang C, Ju J, Peng S.: Toward the development of chemoprevention agents. Part II: Chemo-enzymatic synthesis and anti-inflammatory activities of a new class of 5-amino-2-substitutedphenyl-1,3-dioxacycloalkanes. Bioorg Med Chem, Volume 15 (18), 2007";ChEMBL
MM475912;MM475912;O=C(O)COc1ccc(Cl)cc1C1CCCCCC1;;282.77;4.24;11514705;;;CHEMBL398126;CACO;ECACO;25;0;"from A to B, <a href=https://www.ebi.ac.uk/chembl/assay_report_card/CHEMBL888200/  target=_blank>CHEMBL888200</a>";;;;;;;;;-5.08;;;;;;;;;;;;"Sandham DA, Aldcroft C, Baettig U, Barker L, Beer D, Bhalay G, Brown Z, Dubois G, Budd D, Bidlake L, Campbell E, Cox B, Everatt B, Harrison D, Leblanc CJ, Manini J, Profit R, Stringer R, Thompson KS, Turner KL, Tweed MF, Walker C, Watson SJ, Whitebread S, Willis J, Williams G, Wilson C.: 2-Cycloalkyl phenoxyacetic acid CRTh2 receptor antagonists. Bioorg Med Chem Lett, Volume 17 (15), 2007";ChEMBL
MM475913;MM475913;CCc1nc(N)nc(N)c1-c1ccc2c(c1)N(CCNC(C)=O)C(=O)C(C)(c1cc(F)cc(F)c1)O2;OJPCZEDCYHLAEY-UHFFFAOYSA-N;496.52;2.93;;;;;CACO;ECACO;25;0;"from A to B, <a href=https://www.ebi.ac.uk/chembl/assay_report_card/CHEMBL898578/  target=_blank>CHEMBL898578</a>";;;;;;;;;-5.85;;;;;;;;;;;;"Powell NA, Ciske FL, Cai C, Holsworth DD, Mennen K, Van Huis CA, Jalaie M, Day J, Mastronardi M, McConnell P, Mochalkin I, Zhang E, Ryan MJ, Bryant J, Collard W, Ferreira S, Gu C, Collins R, Edmunds JJ.: Rational design of 6-(2,4-diaminopyrimidinyl)-1,4-benzoxazin-3-ones as small molecule renin inhibitors. Bioorg Med Chem, Volume 15 (17), 2007";ChEMBL
MM475915;MM475915;CCNC(=O)CN1C(=O)C(C)(c2cc(F)cc(F)c2)Oc2ccc(-c3c(N)nc(N)nc3CC)cc21;YSDAMWLCNDERLC-UHFFFAOYSA-N;496.52;2.93;;;;;CACO;ECACO;25;0;"from A to B, <a href=https://www.ebi.ac.uk/chembl/assay_report_card/CHEMBL898578/  target=_blank>CHEMBL898578</a>";;;;;;;;;-4.68;;;;;;;;;;;;"Powell NA, Ciske FL, Cai C, Holsworth DD, Mennen K, Van Huis CA, Jalaie M, Day J, Mastronardi M, McConnell P, Mochalkin I, Zhang E, Ryan MJ, Bryant J, Collard W, Ferreira S, Gu C, Collins R, Edmunds JJ.: Rational design of 6-(2,4-diaminopyrimidinyl)-1,4-benzoxazin-3-ones as small molecule renin inhibitors. Bioorg Med Chem, Volume 15 (17), 2007";ChEMBL
Hesperetin;MM00371;COc1ccc(C2CC(=O)c3c(O)cc(O)cc3O2)cc1O;AIONOLUJZLIMTK-AWEZNQCLSA-N;302.28;2.52;72281;DB01094;6JP;CHEMBL399121;CACO;ECACO;25;0;"from A to B, <a href=https://www.ebi.ac.uk/chembl/assay_report_card/CHEMBL988136/  target=_blank>CHEMBL988136</a>";;;;;;;;;-4.33;;;;;;;;;;;;"Serra H, Mendes T, Bronze MR, Simplício AL.: Prediction of intestinal absorption and metabolism of pharmacologically active flavones and flavanones. Bioorg Med Chem, Volume 16 (7), 2008";ChEMBL
MM475918;MM475918;CCOCCOCCN(c1c(Cl)c(Cl)cc2[nH]c(=O)c(=O)[nH]c12)S(C)(=O)=O;ILSICJGDEGZBHX-UHFFFAOYSA-N;440.31;1.34;44443066;;;CHEMBL399274;CACO;ECACO;25;0;"from A to B, <a href=https://www.ebi.ac.uk/chembl/assay_report_card/CHEMBL887327/  target=_blank>CHEMBL887327</a>";;;;;;;;;-6.01;;;;;;;;;;;;"Deur C, Agrawal AK, Baum H, Booth J, Bove S, Brieland J, Bunker A, Connolly C, Cornicelli J, Dumin J, Finzel B, Gan X, Guppy S, Kamilar G, Kilgore K, Lee P, Loi CM, Lou Z, Morris M, Philippe L, Przybranowski S, Riley F, Samas B, Sanchez B, Tecle H, Wang Z, Welch K, Wilson M, Yates K.: N-(6,7-dichloro-2,3-dioxo-1,2,3,4-tetrahydroquinoxalin-5-yl)-N-alkylsulfonamides as peripherally restricted N-methyl-D-aspartate receptor antagonists for the treatment of pain. Bioorg Med Chem Lett, Volume 17 (16), 2007";ChEMBL
MM475919;MM475919;COCCCN(c1c(Cl)c(Cl)cc2[nH]c(=O)c(=O)[nH]c12)S(C)(=O)=O;HCVVJCJMDGFGMO-UHFFFAOYSA-N;396.25;1.33;44443069;;;CHEMBL399275;CACO;ECACO;25;0;"from A to B, <a href=https://www.ebi.ac.uk/chembl/assay_report_card/CHEMBL887327/  target=_blank>CHEMBL887327</a>";;;;;;;;;-5.69;;;;;;;;;;;;"Deur C, Agrawal AK, Baum H, Booth J, Bove S, Brieland J, Bunker A, Connolly C, Cornicelli J, Dumin J, Finzel B, Gan X, Guppy S, Kamilar G, Kilgore K, Lee P, Loi CM, Lou Z, Morris M, Philippe L, Przybranowski S, Riley F, Samas B, Sanchez B, Tecle H, Wang Z, Welch K, Wilson M, Yates K.: N-(6,7-dichloro-2,3-dioxo-1,2,3,4-tetrahydroquinoxalin-5-yl)-N-alkylsulfonamides as peripherally restricted N-methyl-D-aspartate receptor antagonists for the treatment of pain. Bioorg Med Chem Lett, Volume 17 (16), 2007";ChEMBL
MM475923;MM475923;COCCCN(c1cc(Cl)cc2[nH]c(=O)c(=O)[nH]c12)S(C)(=O)=O;WNWRXBNCDMTPAX-UHFFFAOYSA-N;361.81;0.67;44443074;;;CHEMBL399700;CACO;ECACO;25;0;"from A to B, <a href=https://www.ebi.ac.uk/chembl/assay_report_card/CHEMBL887327/  target=_blank>CHEMBL887327</a>";;;;;;;;;-8;;;;;;;;;;;;"Deur C, Agrawal AK, Baum H, Booth J, Bove S, Brieland J, Bunker A, Connolly C, Cornicelli J, Dumin J, Finzel B, Gan X, Guppy S, Kamilar G, Kilgore K, Lee P, Loi CM, Lou Z, Morris M, Philippe L, Przybranowski S, Riley F, Samas B, Sanchez B, Tecle H, Wang Z, Welch K, Wilson M, Yates K.: N-(6,7-dichloro-2,3-dioxo-1,2,3,4-tetrahydroquinoxalin-5-yl)-N-alkylsulfonamides as peripherally restricted N-methyl-D-aspartate receptor antagonists for the treatment of pain. Bioorg Med Chem Lett, Volume 17 (16), 2007";ChEMBL
MM475924;MM475924;CC(C)C(=O)N1CCC(CN(C2Cc3cc(C#N)ccc3N(Cc3cncn3C)C2)S(=O)(=O)c2ccccn2)CC1;DEHIYUGCSWNGFV-UHFFFAOYSA-N;575.74;3.2;17757982;;;CHEMBL399827;CACO;ECACO;25;0;"from A to B, <a href=https://www.ebi.ac.uk/chembl/assay_report_card/CHEMBL967838/  target=_blank>CHEMBL967838</a>";;;;;;;;;-6.3;;;;;;;;;;;;"Van Voorhis WC, Rivas KL, Bendale P, Nallan L, Hornéy C, Barrett LK, Bauer KD, Smart BP, Ankala S, Hucke O, Verlinde CL, Chakrabarti D, Strickland C, Yokoyama K, Buckner FS, Hamilton AD, Williams DK, Lombardo LJ, Floyd D, Gelb MH.: Efficacy, pharmacokinetics, and metabolism of tetrahydroquinoline inhibitors of Plasmodium falciparum protein farnesyltransferase. Antimicrob Agents Chemother, Volume 51 (10), 2007";ChEMBL
MM475927;MM475927;CCc1nc(N)nc(N)c1-c1ccc2c(c1)N(CCCOC)C(=O)C(C)(C)O2;WPAPODFGOZXFLG-UHFFFAOYSA-N;385.47;2.41;;;;;CACO;ECACO;25;0;"from A to B, <a href=https://www.ebi.ac.uk/chembl/assay_report_card/CHEMBL898578/  target=_blank>CHEMBL898578</a>";;;;;;;;;-4.72;;;;;;;;;;;;"Powell NA, Ciske FL, Cai C, Holsworth DD, Mennen K, Van Huis CA, Jalaie M, Day J, Mastronardi M, McConnell P, Mochalkin I, Zhang E, Ryan MJ, Bryant J, Collard W, Ferreira S, Gu C, Collins R, Edmunds JJ.: Rational design of 6-(2,4-diaminopyrimidinyl)-1,4-benzoxazin-3-ones as small molecule renin inhibitors. Bioorg Med Chem, Volume 15 (17), 2007";ChEMBL
MM475929;MM475929;CCOCCCN(c1c(Cl)c(Cl)cc2[nH]c(=O)c(=O)[nH]c12)S(C)(=O)=O;GBHJMZUFJRCQDB-UHFFFAOYSA-N;410.28;1.72;44443072;;;CHEMBL400508;CACO;ECACO;25;0;"from A to B, <a href=https://www.ebi.ac.uk/chembl/assay_report_card/CHEMBL887327/  target=_blank>CHEMBL887327</a>";;;;;;;;;-6.36;;;;;;;;;;;;"Deur C, Agrawal AK, Baum H, Booth J, Bove S, Brieland J, Bunker A, Connolly C, Cornicelli J, Dumin J, Finzel B, Gan X, Guppy S, Kamilar G, Kilgore K, Lee P, Loi CM, Lou Z, Morris M, Philippe L, Przybranowski S, Riley F, Samas B, Sanchez B, Tecle H, Wang Z, Welch K, Wilson M, Yates K.: N-(6,7-dichloro-2,3-dioxo-1,2,3,4-tetrahydroquinoxalin-5-yl)-N-alkylsulfonamides as peripherally restricted N-methyl-D-aspartate receptor antagonists for the treatment of pain. Bioorg Med Chem Lett, Volume 17 (16), 2007";ChEMBL
MM475934;MM475934;CC(C)CCn1nc(-c2cccs2)c(O)c(C2=NS(=O)(=O)c3cc(N(C)S(C)(=O)=O)ccc3N2)c1=O;;551.67;2.68;135907978;;;CHEMBL401595;CACO;ECACO;25;0;"from A to B, <a href=https://www.ebi.ac.uk/chembl/assay_report_card/CHEMBL935710/  target=_blank>CHEMBL935710</a>";;;;;;;;;-6.7;;;;;;;;;;;;"Sergeeva MV, Zhou Y, Bartkowski DM, Nolan TG, Norris DA, Okamoto E, Kirkovsky L, Kamran R, Lebrun LA, Tsan M, Patel R, Shah AM, Lardy M, Gobbi A, Li LS, Zhao J, Bertolini T, Stankovic N, Sun Z, Murphy DE, Webber SE, Dragovich PS.: Novel HCV NS5B polymerase inhibitors derived from 4-(1',1'-dioxo-1',4'-dihydro-1'lambda6-benzo[1',2',4']thiadiazin-3'-yl)-5-hydroxy-2H-pyridazin-3-ones: Part 4. Optimization of DMPK properties. Bioorg Med Chem Lett, Volume 18 (11), 2008";ChEMBL
MM475934;MM475934;CC(C)CCn1nc(-c2cccs2)c(O)c(C2=NS(=O)(=O)c3cc(N(C)S(C)(=O)=O)ccc3N2)c1=O;;551.67;2.68;135907978;;;CHEMBL401595;CACO;ECACO;25;0;"from A to B, <a href=https://www.ebi.ac.uk/chembl/assay_report_card/CHEMBL997017/  target=_blank>CHEMBL997017</a>";;;;;;;;;-6.7;;;;;;;;;;;;"Ellis DA, Blazel JK, Webber SE, Tran CV, Dragovich PS, Sun Z, Ruebsam F, McGuire HM, Xiang AX, Zhao J, Li LS, Zhou Y, Han Q, Kissinger CR, Showalter RE, Lardy M, Shah AM, Tsan M, Patel R, LeBrun LA, Kamran R, Bartkowski DM, Nolan TG, Norris DA, Sergeeva MV, Kirkovsky L.: 4-(1,1-Dioxo-1,4-dihydro-1lambda6-benzo[1,4]thiazin-3-yl)-5-hydroxy-2H-pyridazin-3-ones as potent inhibitors of HCV NS5B polymerase. Bioorg Med Chem Lett, Volume 18 (16), 2008";ChEMBL
MM475936;MM475936;CC(C)CCn1nc(-c2cccs2)c(O)c(C2=NS(=O)(=O)c3cc(NS(C)(=O)=O)ccc3N2)c1=O;;537.65;2.47;135566425;;;CHEMBL401825;CACO;ECACO;25;0;"from A to B, <a href=https://www.ebi.ac.uk/chembl/assay_report_card/CHEMBL936685/  target=_blank>CHEMBL936685</a>";;;;;;;;;-7.8;;;;;;;;;;;;"Li LS, Zhou Y, Murphy DE, Stankovic N, Zhao J, Dragovich PS, Bertolini T, Sun Z, Ayida B, Tran CV, Ruebsam F, Webber SE, Shah AM, Tsan M, Showalter RE, Patel R, Lebrun LA, Bartkowski DM, Nolan TG, Norris DA, Kamran R, Brooks J, Sergeeva MV, Kirkovsky L, Zhao Q, Kissinger CR.: Novel HCV NS5B polymerase inhibitors derived from 4-(1',1'-dioxo-1',4'-dihydro-1'lambda(6)-benzo[1',2',4']thiadiazin-3'-yl)-5-hydroxy-2H-pyridazin-3-ones. Part 3: Further optimization of the 2-, 6-, and 7'-substituents and initial pharmacokinetic assessments. Bioorg Med Chem Lett, Volume 18 (11), 2008";ChEMBL
MM475936;MM475936;CC(C)CCn1nc(-c2cccs2)c(O)c(C2=NS(=O)(=O)c3cc(NS(C)(=O)=O)ccc3N2)c1=O;;537.65;2.47;135566425;;;CHEMBL401825;CACO;ECACO;25;0;"from A to B, <a href=https://www.ebi.ac.uk/chembl/assay_report_card/CHEMBL935710/  target=_blank>CHEMBL935710</a>";;;;;;;;;-7.7;;;;;;;;;;;;"Sergeeva MV, Zhou Y, Bartkowski DM, Nolan TG, Norris DA, Okamoto E, Kirkovsky L, Kamran R, Lebrun LA, Tsan M, Patel R, Shah AM, Lardy M, Gobbi A, Li LS, Zhao J, Bertolini T, Stankovic N, Sun Z, Murphy DE, Webber SE, Dragovich PS.: Novel HCV NS5B polymerase inhibitors derived from 4-(1',1'-dioxo-1',4'-dihydro-1'lambda6-benzo[1',2',4']thiadiazin-3'-yl)-5-hydroxy-2H-pyridazin-3-ones: Part 4. Optimization of DMPK properties. Bioorg Med Chem Lett, Volume 18 (11), 2008";ChEMBL
MM475936;MM475936;CC(C)CCn1nc(-c2cccs2)c(O)c(C2=NS(=O)(=O)c3cc(NS(C)(=O)=O)ccc3N2)c1=O;;537.65;2.47;135566425;;;CHEMBL401825;CACO;ECACO;25;0;"from A to B, <a href=https://www.ebi.ac.uk/chembl/assay_report_card/CHEMBL927015/  target=_blank>CHEMBL927015</a>";;;;;;;;;-7.52;;;;;;;;;;;;"Ruebsam F, Webber SE, Tran MT, Tran CV, Murphy DE, Zhao J, Dragovich PS, Kim SH, Li LS, Zhou Y, Han Q, Kissinger CR, Showalter RE, Lardy M, Shah AM, Tsan M, Patel R, Lebrun LA, Kamran R, Sergeeva MV, Bartkowski DM, Nolan TG, Norris DA, Kirkovsky L.: Pyrrolo[1,2-b]pyridazin-2-ones as potent inhibitors of HCV NS5B polymerase. Bioorg Med Chem Lett, Volume 18 (12), 2008";ChEMBL
MM475936;MM475936;CC(C)CCn1nc(-c2cccs2)c(O)c(C2=NS(=O)(=O)c3cc(NS(C)(=O)=O)ccc3N2)c1=O;;537.65;2.47;135566425;;;CHEMBL401825;CACO;ECACO;25;0;"from A to B, <a href=https://www.ebi.ac.uk/chembl/assay_report_card/CHEMBL997017/  target=_blank>CHEMBL997017</a>";;;;;;;;;-7.7;;;;;;;;;;;;"Ellis DA, Blazel JK, Webber SE, Tran CV, Dragovich PS, Sun Z, Ruebsam F, McGuire HM, Xiang AX, Zhao J, Li LS, Zhou Y, Han Q, Kissinger CR, Showalter RE, Lardy M, Shah AM, Tsan M, Patel R, LeBrun LA, Kamran R, Bartkowski DM, Nolan TG, Norris DA, Sergeeva MV, Kirkovsky L.: 4-(1,1-Dioxo-1,4-dihydro-1lambda6-benzo[1,4]thiazin-3-yl)-5-hydroxy-2H-pyridazin-3-ones as potent inhibitors of HCV NS5B polymerase. Bioorg Med Chem Lett, Volume 18 (16), 2008";ChEMBL
MM475938;MM475938;Cc1ccc(-c2nn(Cc3ccccc3)c(=O)c(C3=NS(=O)(=O)c4ccccc4N3)c2O)s1;;478.56;3.6;135399782;;;CHEMBL401931;CACO;ECACO;25;0;"from A to B, <a href=https://www.ebi.ac.uk/chembl/assay_report_card/CHEMBL935710/  target=_blank>CHEMBL935710</a>";;;;;;;;;-5.89;;;;;;;;;;;;"Sergeeva MV, Zhou Y, Bartkowski DM, Nolan TG, Norris DA, Okamoto E, Kirkovsky L, Kamran R, Lebrun LA, Tsan M, Patel R, Shah AM, Lardy M, Gobbi A, Li LS, Zhao J, Bertolini T, Stankovic N, Sun Z, Murphy DE, Webber SE, Dragovich PS.: Novel HCV NS5B polymerase inhibitors derived from 4-(1',1'-dioxo-1',4'-dihydro-1'lambda6-benzo[1',2',4']thiadiazin-3'-yl)-5-hydroxy-2H-pyridazin-3-ones: Part 4. Optimization of DMPK properties. Bioorg Med Chem Lett, Volume 18 (11), 2008";ChEMBL
MM475938;MM475938;Cc1ccc(-c2nn(Cc3ccccc3)c(=O)c(C3=NS(=O)(=O)c4ccccc4N3)c2O)s1;;478.56;3.6;135399782;;;CHEMBL401931;CACO;ECACO;25;0;"from A to B, <a href=https://www.ebi.ac.uk/chembl/assay_report_card/CHEMBL997017/  target=_blank>CHEMBL997017</a>";;;;;;;;;-5.89;;;;;;;;;;;;"Ellis DA, Blazel JK, Webber SE, Tran CV, Dragovich PS, Sun Z, Ruebsam F, McGuire HM, Xiang AX, Zhao J, Li LS, Zhou Y, Han Q, Kissinger CR, Showalter RE, Lardy M, Shah AM, Tsan M, Patel R, LeBrun LA, Kamran R, Bartkowski DM, Nolan TG, Norris DA, Sergeeva MV, Kirkovsky L.: 4-(1,1-Dioxo-1,4-dihydro-1lambda6-benzo[1,4]thiazin-3-yl)-5-hydroxy-2H-pyridazin-3-ones as potent inhibitors of HCV NS5B polymerase. Bioorg Med Chem Lett, Volume 18 (16), 2008";ChEMBL
MM475939;MM475939;CC(C)(C)Cc1nn(CCC2CC2)c(=O)c(C2=NS(=O)(=O)c3cc(NS(C)(=O)=O)ccc3N2)c1O;JDTMXJSWZGMLDD-UHFFFAOYSA-N;523.64;2.27;135907862;;;CHEMBL401951;CACO;ECACO;25;0;"from A to B, <a href=https://www.ebi.ac.uk/chembl/assay_report_card/CHEMBL935710/  target=_blank>CHEMBL935710</a>";;;;;;;;;-6.15;;;;;;;;;;;;"Sergeeva MV, Zhou Y, Bartkowski DM, Nolan TG, Norris DA, Okamoto E, Kirkovsky L, Kamran R, Lebrun LA, Tsan M, Patel R, Shah AM, Lardy M, Gobbi A, Li LS, Zhao J, Bertolini T, Stankovic N, Sun Z, Murphy DE, Webber SE, Dragovich PS.: Novel HCV NS5B polymerase inhibitors derived from 4-(1',1'-dioxo-1',4'-dihydro-1'lambda6-benzo[1',2',4']thiadiazin-3'-yl)-5-hydroxy-2H-pyridazin-3-ones: Part 4. Optimization of DMPK properties. Bioorg Med Chem Lett, Volume 18 (11), 2008";ChEMBL
MM475940;MM475940;CC(C)CCn1c(=O)c(=C2Nc3ccc(NS(C)(=O)=O)cc3S(=O)(=O)N2)c(=O)c2cccn21;;493.57;1.59;46937047;;;CHEMBL401974;CACO;ECACO;25;0;"from A to B, <a href=https://www.ebi.ac.uk/chembl/assay_report_card/CHEMBL927015/  target=_blank>CHEMBL927015</a>";;;;;;;;;-6.7;;;;;;;;;;;;"Ruebsam F, Webber SE, Tran MT, Tran CV, Murphy DE, Zhao J, Dragovich PS, Kim SH, Li LS, Zhou Y, Han Q, Kissinger CR, Showalter RE, Lardy M, Shah AM, Tsan M, Patel R, Lebrun LA, Kamran R, Sergeeva MV, Bartkowski DM, Nolan TG, Norris DA, Kirkovsky L.: Pyrrolo[1,2-b]pyridazin-2-ones as potent inhibitors of HCV NS5B polymerase. Bioorg Med Chem Lett, Volume 18 (12), 2008";ChEMBL
MM475940;MM475940;CC(C)CCn1c(=O)c(=C2Nc3ccc(NS(C)(=O)=O)cc3S(=O)(=O)N2)c(=O)c2cccn21;;493.57;1.59;46937047;;;CHEMBL401974;CACO;ECACO;25;0;"from A to B, <a href=https://www.ebi.ac.uk/chembl/assay_report_card/CHEMBL997017/  target=_blank>CHEMBL997017</a>";;;;;;;;;-6.7;;;;;;;;;;;;"Ellis DA, Blazel JK, Webber SE, Tran CV, Dragovich PS, Sun Z, Ruebsam F, McGuire HM, Xiang AX, Zhao J, Li LS, Zhou Y, Han Q, Kissinger CR, Showalter RE, Lardy M, Shah AM, Tsan M, Patel R, LeBrun LA, Kamran R, Bartkowski DM, Nolan TG, Norris DA, Sergeeva MV, Kirkovsky L.: 4-(1,1-Dioxo-1,4-dihydro-1lambda6-benzo[1,4]thiazin-3-yl)-5-hydroxy-2H-pyridazin-3-ones as potent inhibitors of HCV NS5B polymerase. Bioorg Med Chem Lett, Volume 18 (16), 2008";ChEMBL
MM475941;MM475941;CC(=O)N1CC(NC(=O)c2ccc(OCc3cc(C)nc4ccccc34)cc2)C(C(=O)NO)C1;DIZGMOHGYCJEBO-JTHBVZDNSA-N;462.51;2.2;44455553;;;CHEMBL401979;CACO;ECACO;25;0;"from A to B, <a href=https://www.ebi.ac.uk/chembl/assay_report_card/CHEMBL930649/  target=_blank>CHEMBL930649</a>";;;;;;;;;-6.7;;;;;;;;;;;;"Ott GR, Asakawa N, Lu Z, Liu RQ, Covington MB, Vaddi K, Qian M, Newton RC, Christ DD, Traskos JM, Decicco CP, Duan JJ.: Alpha,beta-cyclic-beta-benzamido hydroxamic acids: novel templates for the design, synthesis, and evaluation of selective inhibitors of TNF-alpha converting enzyme (TACE). Bioorg Med Chem Lett, Volume 18 (2), 2008";ChEMBL
MM475945;MM475945;O=C(NC1CCOCC1C(=O)NO)c1ccc(Cc2c(C(F)(F)F)nn3ccccc23)cc1;SXDMGWZDRWQMPS-DLBZAZTESA-N;462.43;2.58;25022681;;;CHEMBL402393;CACO;ECACO;25;0;"from A to B, <a href=https://www.ebi.ac.uk/chembl/assay_report_card/CHEMBL934171/  target=_blank>CHEMBL934171</a>";;;;;;;;;-5.74;;;;;;;;;;;;"Lu Z, Ott GR, Anand R, Liu RQ, Covington MB, Vaddi K, Qian M, Newton RC, Christ DD, Trzaskos J, Duan JJ.: Potent, selective, orally bioavailable inhibitors of tumor necrosis factor-alpha converting enzyme (TACE): discovery of indole, benzofuran, imidazopyridine and pyrazolopyridine P1' substituents. Bioorg Med Chem Lett, Volume 18 (6), 2008";ChEMBL
MM475948;MM475948;Cc1cc(COc2ccc(C(=O)NC3CCCC3C(=O)NO)cc2)c2ccccc2n1;;419.48;3.53;10387351;;;CHEMBL402746;CACO;ECACO;25;0;"from A to B, <a href=https://www.ebi.ac.uk/chembl/assay_report_card/CHEMBL930649/  target=_blank>CHEMBL930649</a>";;;;;;;;;-5.22;;;;;;;;;;;;"Ott GR, Asakawa N, Lu Z, Liu RQ, Covington MB, Vaddi K, Qian M, Newton RC, Christ DD, Traskos JM, Decicco CP, Duan JJ.: Alpha,beta-cyclic-beta-benzamido hydroxamic acids: novel templates for the design, synthesis, and evaluation of selective inhibitors of TNF-alpha converting enzyme (TACE). Bioorg Med Chem Lett, Volume 18 (2), 2008";ChEMBL
MM475952;MM475952;N#Cc1ccc(NCC(F)(F)c2ccc(F)c(F)c2)c(F)c1CC(=O)NCCON=C(N)N;;470.4;2.25;11351875;;;CHEMBL403310;CACO;ECACO;25;0;"from A to B, <a href=https://www.ebi.ac.uk/chembl/assay_report_card/CHEMBL934697/  target=_blank>CHEMBL934697</a>";;;;;;;;;-6.3;;;;;;;;;;;;"Kreutter KD, Lu T, Lee L, Giardino EC, Patel S, Huang H, Xu G, Fitzgerald M, Haertlein BJ, Mohan V, Crysler C, Eisennagel S, Dasgupta M, McMillan M, Spurlino JC, Huebert ND, Maryanoff BE, Tomczuk BE, Damiano BP, Player MR.: Orally efficacious thrombin inhibitors with cyanofluorophenylacetamide as the P2 motif. Bioorg Med Chem Lett, Volume 18 (9), 2008";ChEMBL
MM475953;MM475953;N#Cc1ccc(NCC(F)(F)c2cccc(Cl)c2)c(F)c1CC(=O)NCCON=C(N)N;;468.87;2.63;11225163;;;CHEMBL403359;CACO;ECACO;25;0;"from A to B, <a href=https://www.ebi.ac.uk/chembl/assay_report_card/CHEMBL934697/  target=_blank>CHEMBL934697</a>";;;;;;;;;-6.1;;;;;;;;;;;;"Kreutter KD, Lu T, Lee L, Giardino EC, Patel S, Huang H, Xu G, Fitzgerald M, Haertlein BJ, Mohan V, Crysler C, Eisennagel S, Dasgupta M, McMillan M, Spurlino JC, Huebert ND, Maryanoff BE, Tomczuk BE, Damiano BP, Player MR.: Orally efficacious thrombin inhibitors with cyanofluorophenylacetamide as the P2 motif. Bioorg Med Chem Lett, Volume 18 (9), 2008";ChEMBL
MM475954;MM475954;Cc1cc(COc2ccc(C(=O)NC3CN(C(C)C)CC3C(=O)NO)cc2)c2ccccc2n1;GIYCAHCPFIZYMQ-LADGPHEKSA-N;462.55;3.07;10276473;;;CHEMBL403401;CACO;ECACO;25;0;"from A to B, <a href=https://www.ebi.ac.uk/chembl/assay_report_card/CHEMBL930649/  target=_blank>CHEMBL930649</a>";;;;;;;;;-5.89;;;;;;;;;;;;"Ott GR, Asakawa N, Lu Z, Liu RQ, Covington MB, Vaddi K, Qian M, Newton RC, Christ DD, Traskos JM, Decicco CP, Duan JJ.: Alpha,beta-cyclic-beta-benzamido hydroxamic acids: novel templates for the design, synthesis, and evaluation of selective inhibitors of TNF-alpha converting enzyme (TACE). Bioorg Med Chem Lett, Volume 18 (2), 2008";ChEMBL
Chembl403441;MM468380;CCOc1ccccc1CC(c1ccccc1)N1CCNCC1;CVFBVSUFNWOPLD-LJQANCHMSA-N;310.44;3.27;16043230;;;CHEMBL403441;CACO;ECACO;25;0;"from A to B, <a href=https://www.ebi.ac.uk/chembl/assay_report_card/CHEMBL1120626/  target=_blank>CHEMBL1120626</a>";;;;;;;;;-4.48;;;;;;;;;;;;"Fray MJ, Fish PV, Allan GA, Bish G, Clarke N, Eccles R, Harrison AC, Le Net JL, Phillips SC, Regan N, Sobry C, Stobie A, Wakenhut F, Westbrook D, Westbrook SL, Whitlock GA.: Second generation N-(1,2-diphenylethyl)piperazines as dual serotonin and noradrenaline reuptake inhibitors: improving metabolic stability and reducing ion channel activity. Bioorg Med Chem Lett, Volume 20 (12), 2010";ChEMBL
MM475957;MM475957;CC(C)(C)CCn1c(=O)c(=C2Nc3ccc(NS(C)(=O)=O)cc3S(=O)(=O)N2)c(=O)c2cccn21;FCKKBGLFVWWSIL-UHFFFAOYSA-N;507.59;2.18;24860261;;;CHEMBL403650;CACO;ECACO;25;0;"from A to B, <a href=https://www.ebi.ac.uk/chembl/assay_report_card/CHEMBL927015/  target=_blank>CHEMBL927015</a>";;;;;;;;;-6.15;;;;;;;;;;;;"Ruebsam F, Webber SE, Tran MT, Tran CV, Murphy DE, Zhao J, Dragovich PS, Kim SH, Li LS, Zhou Y, Han Q, Kissinger CR, Showalter RE, Lardy M, Shah AM, Tsan M, Patel R, Lebrun LA, Kamran R, Sergeeva MV, Bartkowski DM, Nolan TG, Norris DA, Kirkovsky L.: Pyrrolo[1,2-b]pyridazin-2-ones as potent inhibitors of HCV NS5B polymerase. Bioorg Med Chem Lett, Volume 18 (12), 2008";ChEMBL
MM475960;MM475960;N#Cc1ccc(NCC(F)(F)c2ccccc2)c(F)c1CC(=O)NCCON=C(N)N;;434.42;1.97;11293438;;;CHEMBL404025;CACO;ECACO;25;0;"from A to B, <a href=https://www.ebi.ac.uk/chembl/assay_report_card/CHEMBL934697/  target=_blank>CHEMBL934697</a>";;;;;;;;;-5.96;;;;;;;;;;;;"Kreutter KD, Lu T, Lee L, Giardino EC, Patel S, Huang H, Xu G, Fitzgerald M, Haertlein BJ, Mohan V, Crysler C, Eisennagel S, Dasgupta M, McMillan M, Spurlino JC, Huebert ND, Maryanoff BE, Tomczuk BE, Damiano BP, Player MR.: Orally efficacious thrombin inhibitors with cyanofluorophenylacetamide as the P2 motif. Bioorg Med Chem Lett, Volume 18 (9), 2008";ChEMBL
MM475962;MM475962;CC(C)CCn1c(=O)c(=C2Nc3ccc(NS(=O)(=O)C4CC4)cc3S(=O)(=O)N2)c(=O)c2cccn21;PKDHYLKVSMYIBX-UHFFFAOYSA-N;519.61;2.32;24858229;;;CHEMBL404096;CACO;ECACO;25;0;"from A to B, <a href=https://www.ebi.ac.uk/chembl/assay_report_card/CHEMBL927015/  target=_blank>CHEMBL927015</a>";;;;;;;;;-6.1;;;;;;;;;;;;"Ruebsam F, Webber SE, Tran MT, Tran CV, Murphy DE, Zhao J, Dragovich PS, Kim SH, Li LS, Zhou Y, Han Q, Kissinger CR, Showalter RE, Lardy M, Shah AM, Tsan M, Patel R, Lebrun LA, Kamran R, Sergeeva MV, Bartkowski DM, Nolan TG, Norris DA, Kirkovsky L.: Pyrrolo[1,2-b]pyridazin-2-ones as potent inhibitors of HCV NS5B polymerase. Bioorg Med Chem Lett, Volume 18 (12), 2008";ChEMBL
MM475963;MM475963;C=C(C)CN1CC(NC(=O)c2ccc(OCc3cc(C)nc4ccccc34)cc2)C(C(=O)NO)C1;JJARNQDLIPGYKD-UKILVPOCSA-N;474.56;3.23;44455858;;;CHEMBL404162;CACO;ECACO;25;0;"from A to B, <a href=https://www.ebi.ac.uk/chembl/assay_report_card/CHEMBL930649/  target=_blank>CHEMBL930649</a>";;;;;;;;;-5.01;;;;;;;;;;;;"Ott GR, Asakawa N, Lu Z, Liu RQ, Covington MB, Vaddi K, Qian M, Newton RC, Christ DD, Traskos JM, Decicco CP, Duan JJ.: Alpha,beta-cyclic-beta-benzamido hydroxamic acids: novel templates for the design, synthesis, and evaluation of selective inhibitors of TNF-alpha converting enzyme (TACE). Bioorg Med Chem Lett, Volume 18 (2), 2008";ChEMBL
MM475965;MM475965;CS(=O)(=O)Nc1ccc2c(c1)S(=O)(=O)NC(=c1c(=O)c3cccn3n(Cc3ccc(F)cc3)c1=O)N2;;531.55;1.93;24858075;;;CHEMBL404663;CACO;ECACO;25;0;"from A to B, <a href=https://www.ebi.ac.uk/chembl/assay_report_card/CHEMBL927015/  target=_blank>CHEMBL927015</a>";;;;;;;;;-7;;;;;;;;;;;;"Ruebsam F, Webber SE, Tran MT, Tran CV, Murphy DE, Zhao J, Dragovich PS, Kim SH, Li LS, Zhou Y, Han Q, Kissinger CR, Showalter RE, Lardy M, Shah AM, Tsan M, Patel R, Lebrun LA, Kamran R, Sergeeva MV, Bartkowski DM, Nolan TG, Norris DA, Kirkovsky L.: Pyrrolo[1,2-b]pyridazin-2-ones as potent inhibitors of HCV NS5B polymerase. Bioorg Med Chem Lett, Volume 18 (12), 2008";ChEMBL
MM475965;MM475965;CS(=O)(=O)Nc1ccc2c(c1)S(=O)(=O)NC(=c1c(=O)c3cccn3n(Cc3ccc(F)cc3)c1=O)N2;;531.55;1.93;24858075;;;CHEMBL404663;CACO;ECACO;25;0;"from A to B, <a href=https://www.ebi.ac.uk/chembl/assay_report_card/CHEMBL953074/  target=_blank>CHEMBL953074</a>";;;;;;;;;-7;;;;;;;;;;;;"Ruebsam F, Sun Z, Ayida BK, Webber SE, Zhou Y, Zhao Q, Kissinger CR, Showalter RE, Shah AM, Tsan M, Patel R, Lebrun LA, Kamran R, Sergeeva MV, Bartkowski DM, Nolan TG, Norris DA, Kirkovsky L.: Hexahydro-pyrrolo- and hexahydro-1H-pyrido[1,2-b]pyridazin-2-ones as potent inhibitors of HCV NS5B polymerase. Bioorg Med Chem Lett, Volume 18 (18), 2008";ChEMBL
MM475965;MM475965;CS(=O)(=O)Nc1ccc2c(c1)S(=O)(=O)NC(=c1c(=O)c3cccn3n(Cc3ccc(F)cc3)c1=O)N2;;531.55;1.93;24858075;;;CHEMBL404663;CACO;ECACO;25;0;"from A to B, <a href=https://www.ebi.ac.uk/chembl/assay_report_card/CHEMBL955142/  target=_blank>CHEMBL955142</a>";;;;;;;;;-7;;;;;;;;;;;;"Ruebsam F, Tran CV, Li LS, Kim SH, Xiang AX, Zhou Y, Blazel JK, Sun Z, Dragovich PS, Zhao J, McGuire HM, Murphy DE, Tran MT, Stankovic N, Ellis DA, Gobbi A, Showalter RE, Webber SE, Shah AM, Tsan M, Patel RA, Lebrun LA, Hou HJ, Kamran R, Sergeeva MV, Bartkowski DM, Nolan TG, Norris DA, Kirkovsky L.: 5,6-Dihydro-1H-pyridin-2-ones as potent inhibitors of HCV NS5B polymerase. Bioorg Med Chem Lett, Volume 19 (2), 2009";ChEMBL
MM19072;MM19072;COc1ccc2c(c1)C(CCCN1CCc3cc(OC)c(OC)cc3C1)CCC2;CRXITWCKFZMSFG-UHFFFAOYSA-N;395.54;4.97;24945195;;;CHEMBL405372;CACO;ECACO;25;0;"from A to B, <a href=https://www.ebi.ac.uk/chembl/assay_report_card/CHEMBL921232/  target=_blank>CHEMBL921232</a>";;;;;;;;;-4.34;;;;;;;;;;;;"Colabufo NA, Berardi F, Cantore M, Perrone MG, Contino M, Inglese C, Niso M, Perrone R, Azzariti A, Simone GM, Porcelli L, Paradiso A.: Small P-gp modulating molecules: SAR studies on tetrahydroisoquinoline derivatives. Bioorg Med Chem, Volume 16 (1), 2008";ChEMBL
MM475967;MM475967;COc1ccc2c(c1)/C(=C/CCN1CCc3cc(OC)c(OC)cc3C1)CCC2;;393.53;4.88;;;;CHEMBL405448;CACO;ECACO;25;0;"from A to B, <a href=https://www.ebi.ac.uk/chembl/assay_report_card/CHEMBL921232/  target=_blank>CHEMBL921232</a>";;;;;;;;;-3.78;;;;;;;;;;;;"Colabufo NA, Berardi F, Cantore M, Perrone MG, Contino M, Inglese C, Niso M, Perrone R, Azzariti A, Simone GM, Porcelli L, Paradiso A.: Small P-gp modulating molecules: SAR studies on tetrahydroisoquinoline derivatives. Bioorg Med Chem, Volume 16 (1), 2008";ChEMBL
MM475968;MM475968;COc1cc2c(cc1OC)CN(Cc1ccc(-c3ccccc3)cc1)CC2;;359.47;4.93;1067853;;;CHEMBL405615;CACO;ECACO;25;0;"from A to B, <a href=https://www.ebi.ac.uk/chembl/assay_report_card/CHEMBL923495/  target=_blank>CHEMBL923495</a>";;;;;;;;;-4.11;;;;;;;;;;;;"Colabufo NA, Berardi F, Cantore M, Perrone MG, Contino M, Inglese C, Niso M, Perrone R, Azzariti A, Simone GM, Paradiso A.: 4-Biphenyl and 2-naphthyl substituted 6,7-dimethoxytetrahydroisoquinoline derivatives as potent P-gp modulators. Bioorg Med Chem, Volume 16 (7), 2008";ChEMBL
MM475969;MM475969;COc1ccc2cc(CN3CCc4cc(OC)c(OC)cc4C3)ccc2c1;;363.46;4.42;44451743;;;CHEMBL406088;CACO;ECACO;25;0;"from A to B, <a href=https://www.ebi.ac.uk/chembl/assay_report_card/CHEMBL923495/  target=_blank>CHEMBL923495</a>";;;;;;;;;-4.63;;;;;;;;;;;;"Colabufo NA, Berardi F, Cantore M, Perrone MG, Contino M, Inglese C, Niso M, Perrone R, Azzariti A, Simone GM, Paradiso A.: 4-Biphenyl and 2-naphthyl substituted 6,7-dimethoxytetrahydroisoquinoline derivatives as potent P-gp modulators. Bioorg Med Chem, Volume 16 (7), 2008";ChEMBL
MM18929;MM18929;COc1cc2c(cc1OC)CN(CCC=C1CCCCC1)CC2;NERQQHBBXMVPQY-UHFFFAOYSA-N;315.46;4.34;44451249;;;CHEMBL408993;CACO;ECACO;25;0;"from A to B, <a href=https://www.ebi.ac.uk/chembl/assay_report_card/CHEMBL921232/  target=_blank>CHEMBL921232</a>";;;;;;;;;-4.11;;;;;;;;;;;;"Colabufo NA, Berardi F, Cantore M, Perrone MG, Contino M, Inglese C, Niso M, Perrone R, Azzariti A, Simone GM, Porcelli L, Paradiso A.: Small P-gp modulating molecules: SAR studies on tetrahydroisoquinoline derivatives. Bioorg Med Chem, Volume 16 (1), 2008";ChEMBL
MM475974;MM475974;CCCCC1c2ncccc2C(=O)N1Cc1ccc(-c2ccccc2-c2nn[nH]n2)cc1;PNNHQGDWIIUMFS-UHFFFAOYSA-N;424.51;4.82;24828568;;;CHEMBL410325;CACO;ECACO;25;0;"from A to B, <a href=https://www.ebi.ac.uk/chembl/assay_report_card/CHEMBL925711/  target=_blank>CHEMBL925711</a>";;;;;;;;;-5.25;;;;;;;;;;;;"Cappelli A, Nannicini C, Gallelli A, Giuliani G, Valenti S, Mohr Gl, Anzini M, Mennuni L, Ferrari F, Caselli G, Giordani A, Peris W, Makovec F, Giorgi G, Vomero S.: Design, synthesis, and biological evaluation of AT1 angiotensin II receptor antagonists based on the pyrazolo[3,4-b]pyridine and related heteroaromatic bicyclic systems. J Med Chem, Volume 51 (7), 2008";ChEMBL
MM475976;MM475976;CN(Cc1ccccc1)C(=O)C(NC(=O)c1cc2cc(NC(=O)c3ccccc3-c3ccc(C(F)(F)F)cc3)ccc2n1C)c1ccccc1;;674.72;8.25;9917862;;;CHEMBL410414;CACO;ECACO;25;0;"from A to B, <a href=https://www.ebi.ac.uk/chembl/assay_report_card/CHEMBL897206/  target=_blank>CHEMBL897206</a>";;;;;;;;;-6.05;;;;;;;;;;;;"Li J, Bronk BS, Dirlam JP, Blize AE, Bertinato P, Jaynes BH, Hickman A, Miskell C, Pillai UA, Tibbitts JS, Haven ML, Kolosko NL, Barry CJ, Manion TB.: In vitro and in vivo profile of 5-[(4'-trifluoromethyl-biphenyl-2-carbonyl)-amino]-1H-indole-2-carboxylic acid benzylmethyl carbamoylamide (dirlotapide), a novel potent MTP inhibitor for obesity. Bioorg Med Chem Lett, Volume 17 (7), 2007";ChEMBL
MM475976;MM475976;CN(Cc1ccccc1)C(=O)C(NC(=O)c1cc2cc(NC(=O)c3ccccc3-c3ccc(C(F)(F)F)cc3)ccc2n1C)c1ccccc1;;674.72;8.25;9917862;;;CHEMBL410414;CACO;ECACO;25;0;"from A to B, <a href=https://www.ebi.ac.uk/chembl/assay_report_card/CHEMBL897248/  target=_blank>CHEMBL897248</a>";;;;;;;;;-6.22;;;;;;;;;;;;"Li J, Bronk BS, Dirlam JP, Blize AE, Bertinato P, Jaynes BH, Hickman A, Miskell C, Pillai UA, Tibbitts JS, Haven ML, Kolosko NL, Barry CJ, Manion TB.: In vitro and in vivo profile of 5-[(4'-trifluoromethyl-biphenyl-2-carbonyl)-amino]-1H-indole-2-carboxylic acid benzylmethyl carbamoylamide (dirlotapide), a novel potent MTP inhibitor for obesity. Bioorg Med Chem Lett, Volume 17 (7), 2007";ChEMBL
MM475976;MM475976;CN(Cc1ccccc1)C(=O)C(NC(=O)c1cc2cc(NC(=O)c3ccccc3-c3ccc(C(F)(F)F)cc3)ccc2n1C)c1ccccc1;;674.72;8.25;9917862;;;CHEMBL410414;CACO;ECACO;25;0;"from A to B, <a href=https://www.ebi.ac.uk/chembl/assay_report_card/CHEMBL897341/  target=_blank>CHEMBL897341</a>";;;;;;;;;-6.4;;;;;;;;;;;;"Li J, Bronk BS, Dirlam JP, Blize AE, Bertinato P, Jaynes BH, Hickman A, Miskell C, Pillai UA, Tibbitts JS, Haven ML, Kolosko NL, Barry CJ, Manion TB.: In vitro and in vivo profile of 5-[(4'-trifluoromethyl-biphenyl-2-carbonyl)-amino]-1H-indole-2-carboxylic acid benzylmethyl carbamoylamide (dirlotapide), a novel potent MTP inhibitor for obesity. Bioorg Med Chem Lett, Volume 17 (7), 2007";ChEMBL
MM18931;MM18931;COc1cc2c(cc1OC)CN(CCCC1=CCCc3c(OC)cccc31)CC2;BKLBMMUVHQYDCN-UHFFFAOYSA-N;393.53;4.88;24945105;;;CHEMBL415560;CACO;ECACO;25;0;"from A to B, <a href=https://www.ebi.ac.uk/chembl/assay_report_card/CHEMBL921232/  target=_blank>CHEMBL921232</a>";;;;;;;;;-4.8;;;;;;;;;;;;"Colabufo NA, Berardi F, Cantore M, Perrone MG, Contino M, Inglese C, Niso M, Perrone R, Azzariti A, Simone GM, Porcelli L, Paradiso A.: Small P-gp modulating molecules: SAR studies on tetrahydroisoquinoline derivatives. Bioorg Med Chem, Volume 16 (1), 2008";ChEMBL
MM475993;MM475993;Cn1cc(C#N)c2ccc(NC(=O)NOCc3ccccc3)cc21;;320.35;3.3;44410595;;;CHEMBL426498;CACO;ECACO;25;0;"from A to B, <a href=https://www.ebi.ac.uk/chembl/assay_report_card/CHEMBL870726/  target=_blank>CHEMBL870726</a>";;;;;;;;;-4.71;;;;;;;;;;;;"Beevers RE, Buckley GM, Davies N, Fraser JL, Galvin FC, Hannah DR, Haughan AF, Jenkins K, Mack SR, Pitt WR, Ratcliffe AJ, Richard MD, Sabin V, Sharpe A, Williams SC.: Novel indole inhibitors of IMPDH from fragments: synthesis and initial structure-activity relationships. Bioorg Med Chem Lett, Volume 16 (9), 2006";ChEMBL
MM475998;MM475998;Cn1cncc1CN1CC(N(CCn2cccc2)S(=O)(=O)c2ccccn2)Cc2cc(C#N)ccc21;;501.62;2.81;17758316;;;CHEMBL428712;CACO;ECACO;25;0;"from A to B, <a href=https://www.ebi.ac.uk/chembl/assay_report_card/CHEMBL967838/  target=_blank>CHEMBL967838</a>";;;;;;;;;-4.91;;;;;;;;;;;;"Van Voorhis WC, Rivas KL, Bendale P, Nallan L, Hornéy C, Barrett LK, Bauer KD, Smart BP, Ankala S, Hucke O, Verlinde CL, Chakrabarti D, Strickland C, Yokoyama K, Buckner FS, Hamilton AD, Williams DK, Lombardo LJ, Floyd D, Gelb MH.: Efficacy, pharmacokinetics, and metabolism of tetrahydroquinoline inhibitors of Plasmodium falciparum protein farnesyltransferase. Antimicrob Agents Chemother, Volume 51 (10), 2007";ChEMBL
MM476002;MM476002;CCC(=O)N1CCC(CN(C2Cc3cc(C#N)ccc3N(Cc3cncn3C)C2)S(=O)(=O)c2ccccn2)CC1;UPFFGPDGKQDRRF-UHFFFAOYSA-N;561.71;2.96;17757981;;;CHEMBL429443;CACO;ECACO;25;0;"from A to B, <a href=https://www.ebi.ac.uk/chembl/assay_report_card/CHEMBL967838/  target=_blank>CHEMBL967838</a>";;;;;;;;;-6.3;;;;;;;;;;;;"Van Voorhis WC, Rivas KL, Bendale P, Nallan L, Hornéy C, Barrett LK, Bauer KD, Smart BP, Ankala S, Hucke O, Verlinde CL, Chakrabarti D, Strickland C, Yokoyama K, Buckner FS, Hamilton AD, Williams DK, Lombardo LJ, Floyd D, Gelb MH.: Efficacy, pharmacokinetics, and metabolism of tetrahydroquinoline inhibitors of Plasmodium falciparum protein farnesyltransferase. Antimicrob Agents Chemother, Volume 51 (10), 2007";ChEMBL
MM476004;MM476004;CCc1nc(N)nc(N)c1-c1ccc2c(c1)N(CCCCO)C(=O)C(C)(c1cc(F)cc(F)c1)O2;NAJFOBIBNBUZAN-UHFFFAOYSA-N;483.52;3.56;;;;;CACO;ECACO;25;0;"from A to B, <a href=https://www.ebi.ac.uk/chembl/assay_report_card/CHEMBL898578/  target=_blank>CHEMBL898578</a>";;;;;;;;;-4.97;;;;;;;;;;;;"Powell NA, Ciske FL, Cai C, Holsworth DD, Mennen K, Van Huis CA, Jalaie M, Day J, Mastronardi M, McConnell P, Mochalkin I, Zhang E, Ryan MJ, Bryant J, Collard W, Ferreira S, Gu C, Collins R, Edmunds JJ.: Rational design of 6-(2,4-diaminopyrimidinyl)-1,4-benzoxazin-3-ones as small molecule renin inhibitors. Bioorg Med Chem, Volume 15 (17), 2007";ChEMBL
MM476005;MM476005;Cc1cc(COc2ccc(C(=O)NC3CN(C)CC3C(=O)NO)cc2)c2ccccc2n1;MUYREESVDCFSSL-RBBKRZOGSA-N;434.5;2.29;10296608;;;CHEMBL429589;CACO;ECACO;25;0;"from A to B, <a href=https://www.ebi.ac.uk/chembl/assay_report_card/CHEMBL930649/  target=_blank>CHEMBL930649</a>";;;;;;;;;-6.7;;;;;;;;;;;;"Ott GR, Asakawa N, Lu Z, Liu RQ, Covington MB, Vaddi K, Qian M, Newton RC, Christ DD, Traskos JM, Decicco CP, Duan JJ.: Alpha,beta-cyclic-beta-benzamido hydroxamic acids: novel templates for the design, synthesis, and evaluation of selective inhibitors of TNF-alpha converting enzyme (TACE). Bioorg Med Chem Lett, Volume 18 (2), 2008";ChEMBL
MM476006;MM476006;CCc1nn2ccccc2c1Cc1ccc(C(=O)NC2CCOCC2C(=O)NO)cc1;ITVUSPVMUHFUQB-AZUAARDMSA-N;422.49;2.13;25138270;;;CHEMBL429674;CACO;ECACO;25;0;"from A to B, <a href=https://www.ebi.ac.uk/chembl/assay_report_card/CHEMBL934171/  target=_blank>CHEMBL934171</a>";;;;;;;;;-5.96;;;;;;;;;;;;"Lu Z, Ott GR, Anand R, Liu RQ, Covington MB, Vaddi K, Qian M, Newton RC, Christ DD, Trzaskos J, Duan JJ.: Potent, selective, orally bioavailable inhibitors of tumor necrosis factor-alpha converting enzyme (TACE): discovery of indole, benzofuran, imidazopyridine and pyrazolopyridine P1' substituents. Bioorg Med Chem Lett, Volume 18 (6), 2008";ChEMBL
MM476011;MM476011;CC(C)CN(CC(O)C(Cc1ccccc1)NC(=O)OC1COC2OCCC12)S(=O)(=O)c1ccc2nc(NCCN3CCCC3)sc2c1;;701.91;3.91;509608;;;CHEMBL436082;CACO;ECACO;25;0;"from A to B, <a href=https://www.ebi.ac.uk/chembl/assay_report_card/CHEMBL836786/  target=_blank>CHEMBL836786</a>";;;;;;;;;-5.46;;;;;;;;;;;;"Surleraux DL, de Kock HA, Verschueren WG, Pille GM, Maes LJ, Peeters A, Vendeville S, De Meyer S, Azijn H, Pauwels R, de Bethune MP, King NM, Prabu-Jeyabalan M, Schiffer CA, Wigerinck PB.: Design of HIV-1 protease inhibitors active on multidrug-resistant virus. J Med Chem, Volume 48 (6), 2005";ChEMBL
MM476012;MM476012;"CC(C)C[C@@H]1NC(=O)[C@H](Cc2ccccc2)NC(=O)CNC(=O)[C@@H](C)NC(=O)[C@H](Cc2ccc(O)cc2)NC(=O)/C=C\c2ccccc2OCOC1=O";CQTYKIZQGJDXFK-ULBASCLCSA-N;727.82;1.91;;;;;CACO;ECACO;25;0;"from A to B, <a href=https://www.ebi.ac.uk/chembl/assay_report_card/CHEMBL864126/  target=_blank>CHEMBL864126</a>";;;;;;;;;-6.7;;;;;;;;;;;;"Liederer BM, Fuchs T, Vander Velde D, Siahaan TJ, Borchardt RT.: Effects of amino acid chirality and the chemical linker on the cell permeation characteristics of cyclic prodrugs of opioid peptides. J Med Chem, Volume 49 (4), 2006";ChEMBL
MM476012;MM476012;"CC(C)C[C@@H]1NC(=O)[C@H](Cc2ccccc2)NC(=O)CNC(=O)[C@@H](C)NC(=O)[C@H](Cc2ccc(O)cc2)NC(=O)/C=C\c2ccccc2OCOC1=O";CQTYKIZQGJDXFK-ULBASCLCSA-N;727.82;1.91;;;;;CACO;ECACO;25;0;"from A to B, <a href=https://www.ebi.ac.uk/chembl/assay_report_card/CHEMBL864127/  target=_blank>CHEMBL864127</a>";;;;;;;;;-6.4;;;;;;;;;;;;"Liederer BM, Fuchs T, Vander Velde D, Siahaan TJ, Borchardt RT.: Effects of amino acid chirality and the chemical linker on the cell permeation characteristics of cyclic prodrugs of opioid peptides. J Med Chem, Volume 49 (4), 2006";ChEMBL
MM476012;MM476012;"CC(C)C[C@@H]1NC(=O)[C@H](Cc2ccccc2)NC(=O)CNC(=O)[C@@H](C)NC(=O)[C@H](Cc2ccc(O)cc2)NC(=O)/C=C\c2ccccc2OCOC1=O";CQTYKIZQGJDXFK-ULBASCLCSA-N;727.82;1.91;;;;;CACO;ECACO;25;0;"from A to B, <a href=https://www.ebi.ac.uk/chembl/assay_report_card/CHEMBL864131/  target=_blank>CHEMBL864131</a>";;;;;;;;;-6.29;;;;;;;;;;;;"Liederer BM, Fuchs T, Vander Velde D, Siahaan TJ, Borchardt RT.: Effects of amino acid chirality and the chemical linker on the cell permeation characteristics of cyclic prodrugs of opioid peptides. J Med Chem, Volume 49 (4), 2006";ChEMBL
MM476012;MM476012;"CC(C)C[C@@H]1NC(=O)[C@H](Cc2ccccc2)NC(=O)CNC(=O)[C@@H](C)NC(=O)[C@H](Cc2ccc(O)cc2)NC(=O)/C=C\c2ccccc2OCOC1=O";CQTYKIZQGJDXFK-ULBASCLCSA-N;727.82;1.91;;;;;CACO;ECACO;25;0;"from A to B, <a href=https://www.ebi.ac.uk/chembl/assay_report_card/CHEMBL865285/  target=_blank>CHEMBL865285</a>";;;;;;;;;-7.02;;;;;;;;;;;;"Liederer BM, Fuchs T, Vander Velde D, Siahaan TJ, Borchardt RT.: Effects of amino acid chirality and the chemical linker on the cell permeation characteristics of cyclic prodrugs of opioid peptides. J Med Chem, Volume 49 (4), 2006";ChEMBL
MM476013;MM476013;CCN1CCC(C(=O)NC2(C(=O)O)CCN(Cc3cccc(Oc4ccccc4Cl)c3)CC2)(c2ccccc2)CC1;;576.14;5.72;11563243;;;CHEMBL436753;CACO;ECACO;25;0;"from A to B, <a href=https://www.ebi.ac.uk/chembl/assay_report_card/CHEMBL870775/  target=_blank>CHEMBL870775</a>";;;;;;;;;-4.6;;;;;;;;;;;;"Ghosh S, Elder A, Guo J, Mani U, Patane M, Carson K, Ye Q, Bennett R, Chi S, Jenkins T, Guan B, Kolbeck R, Smith S, Zhang C, LaRosa G, Jaffee B, Yang H, Eddy P, Lu C, Uttamsingh V, Horlick R, Harriman G, Flynn D.: Design, synthesis, and progress toward optimization of potent small molecule antagonists of CC chemokine receptor 8 (CCR8). J Med Chem, Volume 49 (9), 2006";ChEMBL
MM476022;MM476022;O=C(c1ccc(Cl)cc1NS(=O)(=O)c1cccc2nsnc12)N1CCCCC1;;436.95;3.77;11453391;;;CHEMBL437908;CACO;ECACO;25;0;"from A to B, <a href=https://www.ebi.ac.uk/chembl/assay_report_card/CHEMBL912962/  target=_blank>CHEMBL912962</a>";;;;;;;;;-4.64;;;;;;;;;;;;"Allison BD, Phuong VK, McAtee LC, Rosen M, Morton M, Prendergast C, Barrett T, Lagaud G, Freedman J, Li L, Wu X, Venkatesan H, Pippel M, Woods C, Rizzolio MC, Hack M, Hoey K, Deng X, King C, Shankley NP, Rabinowitz MH.: Identification and optimization of anthranilic sulfonamides as novel, selective cholecystokinin-2 receptor antagonists. J Med Chem, Volume 49 (21), 2006";ChEMBL
MM476024;MM476024;Cc1cc(O)cc(C)c1CC(N)C(=O)NCCCCNC(=O)C(N)Cc1c(C)cc(O)cc1C;XNDDFGCHFYFKSW-UHFFFAOYSA-N;470.61;1.78;22600542;;;CHEMBL438136;CACO;ECACO;25;0;"from A to B, <a href=https://www.ebi.ac.uk/chembl/assay_report_card/CHEMBL886598/  target=_blank>CHEMBL886598</a>";;;;;;;;;-6.86;;;;;;;;;;;;"Koda Y, Shiotani K, Toth I, Tsuda Y, Okada Y, Blanchfield JT.: Comparison of the in vitro apparent permeability and stability of opioid mimetic compounds with that of the native peptide. Bioorg Med Chem Lett, Volume 17 (7), 2007";ChEMBL
MM476026;MM476026;COc1cc2c(cc1OC)CN(C(=O)c1ccc(-c3ccccc3)cc1)CC2;;373.45;4.57;1966976;;;CHEMBL438729;CACO;ECACO;25;0;"from A to B, <a href=https://www.ebi.ac.uk/chembl/assay_report_card/CHEMBL923495/  target=_blank>CHEMBL923495</a>";;;;;;;;;-4.22;;;;;;;;;;;;"Colabufo NA, Berardi F, Cantore M, Perrone MG, Contino M, Inglese C, Niso M, Perrone R, Azzariti A, Simone GM, Paradiso A.: 4-Biphenyl and 2-naphthyl substituted 6,7-dimethoxytetrahydroisoquinoline derivatives as potent P-gp modulators. Bioorg Med Chem, Volume 16 (7), 2008";ChEMBL
MM476028;MM476028;Cc1cc(COc2ccc(C(=O)NC3CN(Cc4ccco4)CC3C(=O)NO)cc2)c2ccccc2n1;LBCLZTXMMZKWOQ-AZGAKELHSA-N;500.56;3.45;44455783;;;CHEMBL439066;CACO;ECACO;25;0;"from A to B, <a href=https://www.ebi.ac.uk/chembl/assay_report_card/CHEMBL930649/  target=_blank>CHEMBL930649</a>";;;;;;;;;-5.96;;;;;;;;;;;;"Ott GR, Asakawa N, Lu Z, Liu RQ, Covington MB, Vaddi K, Qian M, Newton RC, Christ DD, Traskos JM, Decicco CP, Duan JJ.: Alpha,beta-cyclic-beta-benzamido hydroxamic acids: novel templates for the design, synthesis, and evaluation of selective inhibitors of TNF-alpha converting enzyme (TACE). Bioorg Med Chem Lett, Volume 18 (2), 2008";ChEMBL
MM476033;MM476033;Cc1cc(COc2ccc(C(=O)NC3CN(CC(C)C)CC3C(=O)NO)cc2)c2ccccc2n1;QFAVBCHJZGCQGB-UKILVPOCSA-N;476.58;3.31;44455880;;;CHEMBL441901;CACO;ECACO;25;0;"from A to B, <a href=https://www.ebi.ac.uk/chembl/assay_report_card/CHEMBL930649/  target=_blank>CHEMBL930649</a>";;;;;;;;;-6.52;;;;;;;;;;;;"Ott GR, Asakawa N, Lu Z, Liu RQ, Covington MB, Vaddi K, Qian M, Newton RC, Christ DD, Traskos JM, Decicco CP, Duan JJ.: Alpha,beta-cyclic-beta-benzamido hydroxamic acids: novel templates for the design, synthesis, and evaluation of selective inhibitors of TNF-alpha converting enzyme (TACE). Bioorg Med Chem Lett, Volume 18 (2), 2008";ChEMBL
MM476037;MM476037;COc1ccc2c(OC3CC4C(=O)NC5(C(=O)NS(=O)(=O)C6CC6)CC5C=CCCCCN(C)C(=O)C4C3)cc(-c3ccccc3)nc2c1;QMIKWBVYFVNXEF-VOWYLFBBSA-N;686.83;4.37;11296925;;;CHEMBL442986;CACO;ECACO;25;0;"from A to B, <a href=https://www.ebi.ac.uk/chembl/assay_report_card/CHEMBL972559/  target=_blank>CHEMBL972559</a>";;;;;;;;;-5.42;;;;;;;;;;;;"Raboisson P, de Kock H, Rosenquist A, Nilsson M, Salvador-Oden L, Lin TI, Roue N, Ivanov V, Wähling H, Wickström K, Hamelink E, Edlund M, Vrang L, Vendeville S, Van de Vreken W, McGowan D, Tahri A, Hu L, Boutton C, Lenz O, Delouvroy F, Pille G, Surleraux D, Wigerinck P, Samuelsson B, Simmen K.: Structure-activity relationship study on a novel series of cyclopentane-containing macrocyclic inhibitors of the hepatitis C virus NS3/4A protease leading to the discovery of TMC435350. Bioorg Med Chem Lett, Volume 18 (17), 2008";ChEMBL
MM476040;MM476040;CCSc1ccc(C(=O)NC2(C(=O)NC(Cc3ccccc3)C(=O)NCC3CCN(CC4CCOCC4)CC3)CCCC2)cc1;VYPVPVGKTHZWSY-JGCGQSQUSA-N;634.89;4.82;44577893;;;CHEMBL444253;CACO;ECACO;25;0;"from A to B, <a href=https://www.ebi.ac.uk/chembl/assay_report_card/CHEMBL967979/  target=_blank>CHEMBL967979</a>";;;;;;;;;-6.22;;;;;;;;;;;;"Porcelloni M, D'Andrea P, Altamura M, Catalioto RM, Giuliani S, Meini S, Fattori D.: Cinnamic acids and mono-substituted benzoic acids as useful capping groups for the preparation of hNK2 receptor antagonists. Bioorg Med Chem Lett, Volume 18 (16), 2008";ChEMBL
MM476041;MM476041;COc1cccc(C=CC(=O)NC2(C(=O)NC(Cc3ccccc3)C(=O)NCC3CCN(CC4CCOCC4)CC3)CCCC2)c1;OKBAFCQNMCNFRD-YETSWHHASA-N;630.83;4.12;44577903;;;CHEMBL444289;CACO;ECACO;25;0;"from A to B, <a href=https://www.ebi.ac.uk/chembl/assay_report_card/CHEMBL967979/  target=_blank>CHEMBL967979</a>";;;;;;;;;-5.85;;;;;;;;;;;;"Porcelloni M, D'Andrea P, Altamura M, Catalioto RM, Giuliani S, Meini S, Fattori D.: Cinnamic acids and mono-substituted benzoic acids as useful capping groups for the preparation of hNK2 receptor antagonists. Bioorg Med Chem Lett, Volume 18 (16), 2008";ChEMBL
MM476042;MM476042;O=C(CO)Nc1ccc2ncn(Cc3ccc(Cl)c(Cl)c3)c(=O)c2c1;;378.22;2.68;25158453;;;CHEMBL444433;CACO;ECACO;25;0;"from A to B, <a href=https://www.ebi.ac.uk/chembl/assay_report_card/CHEMBL1015824/  target=_blank>CHEMBL1015824</a>";;;;;;;;;-4.4;;;;;;;;;;;;"Koltun DO, Vasilevich NI, Parkhill EQ, Glushkov AI, Zilbershtein TM, Mayboroda EI, Boze MA, Cole AG, Henderson I, Zautke NA, Brunn SA, Chu N, Hao J, Mollova N, Leung K, Chisholm JW, Zablocki J.: Orally bioavailable, liver-selective stearoyl-CoA desaturase (SCD) inhibitors. Bioorg Med Chem Lett, Volume 19 (11), 2009";ChEMBL
MM472936;MM472936;CCCCc1ccc(C(=O)NC2(C(=O)NC(Cc3ccccc3)C(=O)NCC3CCN(CC4CCOCC4)CC3)CCCC2)nc1;NUEAGESSSAENGD-MGBGTMOVSA-N;631.86;4.45;44577896;;;CHEMBL445493;CACO;ECACO;25;0;"from A to B, <a href=https://www.ebi.ac.uk/chembl/assay_report_card/CHEMBL967979/  target=_blank>CHEMBL967979</a>";;;;;;;;;-4.75;;;;;;;;;;;;"Porcelloni M, D'Andrea P, Altamura M, Catalioto RM, Giuliani S, Meini S, Fattori D.: Cinnamic acids and mono-substituted benzoic acids as useful capping groups for the preparation of hNK2 receptor antagonists. Bioorg Med Chem Lett, Volume 18 (16), 2008";ChEMBL
MM476046;MM476046;CSc1ccc(C=CC(=O)NC2(C(=O)NC(Cc3ccccc3)C(=O)NCC3CCN(CC4CCOCC4)CC3)CCCC2)cc1;VGEWWRRLVWLZAP-JMRYHUDMSA-N;646.9;4.83;44577908;;;CHEMBL445730;CACO;ECACO;25;0;"from A to B, <a href=https://www.ebi.ac.uk/chembl/assay_report_card/CHEMBL967979/  target=_blank>CHEMBL967979</a>";;;;;;;;;-5.33;;;;;;;;;;;;"Porcelloni M, D'Andrea P, Altamura M, Catalioto RM, Giuliani S, Meini S, Fattori D.: Cinnamic acids and mono-substituted benzoic acids as useful capping groups for the preparation of hNK2 receptor antagonists. Bioorg Med Chem Lett, Volume 18 (16), 2008";ChEMBL
MM476047;MM476047;O=C(C=Cc1cccc(F)c1)NC1(C(=O)NC(Cc2ccccc2)C(=O)NCC2CCN(CC3CCOCC3)CC2)CCCC1;KKZRKZNMXQNBRI-AVUDXHPJSA-N;618.79;4.25;44577898;;;CHEMBL446086;CACO;ECACO;25;0;"from A to B, <a href=https://www.ebi.ac.uk/chembl/assay_report_card/CHEMBL967979/  target=_blank>CHEMBL967979</a>";;;;;;;;;-5.68;;;;;;;;;;;;"Porcelloni M, D'Andrea P, Altamura M, Catalioto RM, Giuliani S, Meini S, Fattori D.: Cinnamic acids and mono-substituted benzoic acids as useful capping groups for the preparation of hNK2 receptor antagonists. Bioorg Med Chem Lett, Volume 18 (16), 2008";ChEMBL
MM476049;MM476049;O=C(Nc1ccc2c(c1)NC(=O)C(CCO)O2)C1CCN(c2cc(F)c(F)c(F)c2)CC1;OSJROQUTACPGAR-UHFFFAOYSA-N;449.43;3.04;11719337;;;CHEMBL446545;CACO;ECACO;25;0;"from A to B, <a href=https://www.ebi.ac.uk/chembl/assay_report_card/CHEMBL997026/  target=_blank>CHEMBL997026</a>";;;;;;;;;-5.82;;;;;;;;;;;;"Cheung WS, Calvo RR, Tounge BA, Zhang SP, Stone DR, Brandt MR, Hutchinson T, Flores CM, Player MR.: Discovery of piperidine carboxamide TRPV1 antagonists. Bioorg Med Chem Lett, Volume 18 (16), 2008";ChEMBL
MM476050;MM476050;Cc1ccccc1C=CC(=O)NC1(C(=O)NC(Cc2ccccc2)C(=O)NCC2CCN(CC3CCOCC3)CC2)CCCC1;AHBIKCVHRSENAB-QXORNKNPSA-N;614.83;4.42;44577905;;;CHEMBL446604;CACO;ECACO;25;0;"from A to B, <a href=https://www.ebi.ac.uk/chembl/assay_report_card/CHEMBL967979/  target=_blank>CHEMBL967979</a>";;;;;;;;;-6.1;;;;;;;;;;;;"Porcelloni M, D'Andrea P, Altamura M, Catalioto RM, Giuliani S, Meini S, Fattori D.: Cinnamic acids and mono-substituted benzoic acids as useful capping groups for the preparation of hNK2 receptor antagonists. Bioorg Med Chem Lett, Volume 18 (16), 2008";ChEMBL
MM476052;MM476052;CCCCCCC(N)C(=O)NC(Cc1ccc(O)cc1)C(=O)N1CCCC1C(=O)NC(Cc1c[nH]c2ccccc12)C(=O)NC(Cc1ccccc1)C(=O)NC1OC(C(N)=O)C(O)C(O)C1O;RXKFKCFRRZYITB-IOCIJZCLSA-N;927.07;0.05;44586715;;;CHEMBL446814;CACO;ECACO;25;0;"from A to B, <a href=https://www.ebi.ac.uk/chembl/assay_report_card/CHEMBL955665/  target=_blank>CHEMBL955665</a>";;;;;;;;;-5.79;;;;;;;;;;;;"Koda Y, Del Borgo M, Wessling ST, Lazarus LH, Okada Y, Toth I, Blanchfield JT.: Synthesis and in vitro evaluation of a library of modified endomorphin 1 peptides. Bioorg Med Chem, Volume 16 (11), 2008";ChEMBL
MM476053;MM476053;O=C(O)[C@@H]1Cc2ccccc2CN1;;177.2;0.79;;;;CHEMBL447576;CACO;ECACO;25;0;"from A to B, <a href=https://www.ebi.ac.uk/chembl/assay_report_card/CHEMBL1046166/  target=_blank>CHEMBL1046166</a>";;;;;;;;;-5.05;;;;;;;;;;;;"Cheng S, Zhang X, Wang W, Zhao M, Zheng M, Chang HW, Wu J, Peng S.: A class of novel N-(3S-1,2,3,4-tetrahydroisoquinoline-3-carbonyl)-L-amino acid derivatives: their synthesis, anti-thrombotic activity evaluation, and 3D QSAR analysis. Eur J Med Chem, Volume 44 (12), 2009";ChEMBL
MM476053;MM476053;O=C(O)[C@@H]1Cc2ccccc2CN1;;177.2;0.79;;;;CHEMBL447576;CACO;ECACO;25;0;"from A to B, <a href=https://www.ebi.ac.uk/chembl/assay_report_card/CHEMBL1046168/  target=_blank>CHEMBL1046168</a>";;;;;;;;;-5.63;;;;;;;;;;;;"Cheng S, Zhang X, Wang W, Zhao M, Zheng M, Chang HW, Wu J, Peng S.: A class of novel N-(3S-1,2,3,4-tetrahydroisoquinoline-3-carbonyl)-L-amino acid derivatives: their synthesis, anti-thrombotic activity evaluation, and 3D QSAR analysis. Eur J Med Chem, Volume 44 (12), 2009";ChEMBL
MM476058;MM476058;Cc1c(-c2cccc(OCCCCC(=O)O)c2)c(=O)n(CC(N)c2ccccc2)c(=O)n1Cc1c(F)cccc1C(F)(F)F;MEXADSOJSYPZRE-MHZLTWQESA-N;613.61;5.53;44587393;;;CHEMBL449468;CACO;ECACO;25;0;"from A to B, <a href=https://www.ebi.ac.uk/chembl/assay_report_card/CHEMBL995205/  target=_blank>CHEMBL995205</a>";;;;;;;;;-7;;;;;;;;;;;;"Regan CF, Guo Z, Chen Y, Huang CQ, Chen M, Jiang W, Rueter JK, Coon T, Chen C, Saunders J, Brown MS, Betz SF, Struthers RS, Yang C, Wen J, Madan A, Zhu YF.: Zwitterionic uracil derivatives as potent GnRH receptor antagonists with improved pharmaceutical properties. Bioorg Med Chem Lett, Volume 18 (16), 2008";ChEMBL
MM476060;MM476060;Cc1cccc(C=CC(=O)NC2(C(=O)NC(Cc3ccccc3)C(=O)NCC3CCN(CC4CCOCC4)CC3)CCCC2)c1;YXAJZLPBUIOCEH-YETSWHHASA-N;614.83;4.42;44577906;;;CHEMBL451374;CACO;ECACO;25;0;"from A to B, <a href=https://www.ebi.ac.uk/chembl/assay_report_card/CHEMBL967979/  target=_blank>CHEMBL967979</a>";;;;;;;;;-5.68;;;;;;;;;;;;"Porcelloni M, D'Andrea P, Altamura M, Catalioto RM, Giuliani S, Meini S, Fattori D.: Cinnamic acids and mono-substituted benzoic acids as useful capping groups for the preparation of hNK2 receptor antagonists. Bioorg Med Chem Lett, Volume 18 (16), 2008";ChEMBL
MM476062;MM476062;CNC(Cn1c(=O)c(-c2cccc(OCCCCC(=O)O)c2F)c(C)n(Cc2c(F)cccc2C(F)(F)F)c1=O)c1ccccc1;PCOIOMHQQCRCRU-SANMLTNESA-N;645.63;5.93;21036878;;;CHEMBL451916;CACO;ECACO;25;0;"from A to B, <a href=https://www.ebi.ac.uk/chembl/assay_report_card/CHEMBL995205/  target=_blank>CHEMBL995205</a>";;;;;;;;;-5.92;;;;;;;;;;;;"Regan CF, Guo Z, Chen Y, Huang CQ, Chen M, Jiang W, Rueter JK, Coon T, Chen C, Saunders J, Brown MS, Betz SF, Struthers RS, Yang C, Wen J, Madan A, Zhu YF.: Zwitterionic uracil derivatives as potent GnRH receptor antagonists with improved pharmaceutical properties. Bioorg Med Chem Lett, Volume 18 (16), 2008";ChEMBL
MM476063;MM476063;O=C(C=Cc1ccc(Cl)cc1)NC1(C(=O)NC(Cc2ccccc2)C(=O)NCC2CCN(CC3CCOCC3)CC2)CCCC1;DGRSZZUQODVHRP-AYOQVULOSA-N;635.25;4.76;44577901;;;CHEMBL452960;CACO;ECACO;25;0;"from A to B, <a href=https://www.ebi.ac.uk/chembl/assay_report_card/CHEMBL967979/  target=_blank>CHEMBL967979</a>";;;;;;;;;-5.55;;;;;;;;;;;;"Porcelloni M, D'Andrea P, Altamura M, Catalioto RM, Giuliani S, Meini S, Fattori D.: Cinnamic acids and mono-substituted benzoic acids as useful capping groups for the preparation of hNK2 receptor antagonists. Bioorg Med Chem Lett, Volume 18 (16), 2008";ChEMBL
MM476065;MM476065;Cc1c(-c2cccc(OCCCCC(=O)O)c2F)c(=O)n(CC(N)c2ccccc2)c(=O)n1Cc1c(F)cccc1C(F)(F)F;VUFHHJKMMITIBF-VWLOTQADSA-N;631.6;5.66;11365653;;;CHEMBL454774;CACO;ECACO;25;0;"from A to B, <a href=https://www.ebi.ac.uk/chembl/assay_report_card/CHEMBL995205/  target=_blank>CHEMBL995205</a>";;;;;;;;;-7;;;;;;;;;;;;"Regan CF, Guo Z, Chen Y, Huang CQ, Chen M, Jiang W, Rueter JK, Coon T, Chen C, Saunders J, Brown MS, Betz SF, Struthers RS, Yang C, Wen J, Madan A, Zhu YF.: Zwitterionic uracil derivatives as potent GnRH receptor antagonists with improved pharmaceutical properties. Bioorg Med Chem Lett, Volume 18 (16), 2008";ChEMBL
MM476067;MM476067;COc1ccc(-n2nc(S(C)(=O)=O)c3c2C(=O)N(c2ccc(C4(CN5CCCC5=O)CC4)cc2)CC3)cc1;LETIREDJFXZCNR-UHFFFAOYSA-N;534.64;3.14;;;;;CACO;ECACO;25;0;"from A to B, <a href=https://www.ebi.ac.uk/chembl/assay_report_card/CHEMBL1010166/  target=_blank>CHEMBL1010166</a>";;;;;;;;;-5.7;;;;;;;;;;;;"Qiao JX, King SR, He K, Wong PC, Rendina AR, Luettgen JM, Xin B, Knabb RM, Wexler RR, Lam PY.: Highly efficacious factor Xa inhibitors containing alpha-substituted phenylcycloalkyl P4 moieties. Bioorg Med Chem Lett, Volume 19 (2), 2009";ChEMBL
MM476068;MM476068;CC(C)CCn1nc(-c2cccs2)c(O)c(C2=CS(=O)(=O)c3cc(NS(C)(=O)=O)ccc3N2)c1=O;NKZVGAIIVIHTCD-UHFFFAOYSA-N;536.66;3.29;54728257;;;CHEMBL456104;CACO;ECACO;25;0;"from A to B, <a href=https://www.ebi.ac.uk/chembl/assay_report_card/CHEMBL997017/  target=_blank>CHEMBL997017</a>";;;;;;;;;-7.92;;;;;;;;;;;;"Ellis DA, Blazel JK, Webber SE, Tran CV, Dragovich PS, Sun Z, Ruebsam F, McGuire HM, Xiang AX, Zhao J, Li LS, Zhou Y, Han Q, Kissinger CR, Showalter RE, Lardy M, Shah AM, Tsan M, Patel R, LeBrun LA, Kamran R, Bartkowski DM, Nolan TG, Norris DA, Sergeeva MV, Kirkovsky L.: 4-(1,1-Dioxo-1,4-dihydro-1lambda6-benzo[1,4]thiazin-3-yl)-5-hydroxy-2H-pyridazin-3-ones as potent inhibitors of HCV NS5B polymerase. Bioorg Med Chem Lett, Volume 18 (16), 2008";ChEMBL
MM476069;MM476069;CC(C)CCn1nc(-c2ccccc2)c(O)c(C2=CS(=O)(=O)c3cc(NS(C)(=O)=O)ccc3N2)c1=O;PQKZAMZNEBXXRF-UHFFFAOYSA-N;530.63;3.23;54728263;;;CHEMBL456132;CACO;ECACO;25;0;"from A to B, <a href=https://www.ebi.ac.uk/chembl/assay_report_card/CHEMBL997017/  target=_blank>CHEMBL997017</a>";;;;;;;;;-7.72;;;;;;;;;;;;"Ellis DA, Blazel JK, Webber SE, Tran CV, Dragovich PS, Sun Z, Ruebsam F, McGuire HM, Xiang AX, Zhao J, Li LS, Zhou Y, Han Q, Kissinger CR, Showalter RE, Lardy M, Shah AM, Tsan M, Patel R, LeBrun LA, Kamran R, Bartkowski DM, Nolan TG, Norris DA, Sergeeva MV, Kirkovsky L.: 4-(1,1-Dioxo-1,4-dihydro-1lambda6-benzo[1,4]thiazin-3-yl)-5-hydroxy-2H-pyridazin-3-ones as potent inhibitors of HCV NS5B polymerase. Bioorg Med Chem Lett, Volume 18 (16), 2008";ChEMBL
MM476070;MM476070;COc1ccc(-n2nc(C(N)=O)c3c2C(=O)N(c2ccc(C4(CN5CCOCC5)CC4)cc2)CC3)cc1;DCIYDOCFGAWFEH-UHFFFAOYSA-N;501.59;2.55;;;;;CACO;ECACO;25;0;"from A to B, <a href=https://www.ebi.ac.uk/chembl/assay_report_card/CHEMBL1010166/  target=_blank>CHEMBL1010166</a>";;;;;;;;;-5.05;;;;;;;;;;;;"Qiao JX, King SR, He K, Wong PC, Rendina AR, Luettgen JM, Xin B, Knabb RM, Wexler RR, Lam PY.: Highly efficacious factor Xa inhibitors containing alpha-substituted phenylcycloalkyl P4 moieties. Bioorg Med Chem Lett, Volume 19 (2), 2009";ChEMBL
MM476071;MM476071;COc1ccc(-n2nc(C#N)c3c2C(=O)N(c2ccc(C4(CN5CCOCC5)CC4)cc2)CC3)cc1;MQGZRCWHRHRCSR-UHFFFAOYSA-N;483.57;3.32;;;;;CACO;ECACO;25;0;"from A to B, <a href=https://www.ebi.ac.uk/chembl/assay_report_card/CHEMBL1010166/  target=_blank>CHEMBL1010166</a>";;;;;;;;;-4.86;;;;;;;;;;;;"Qiao JX, King SR, He K, Wong PC, Rendina AR, Luettgen JM, Xin B, Knabb RM, Wexler RR, Lam PY.: Highly efficacious factor Xa inhibitors containing alpha-substituted phenylcycloalkyl P4 moieties. Bioorg Med Chem Lett, Volume 19 (2), 2009";ChEMBL
MM476078;MM476078;COc1ccc(-n2nc(C(N)=O)c3c2C(=O)N(c2ccc(C4(CN(C)C)CC4)cc2)CC3)cc1;VJOHYLCQRVQUEC-UHFFFAOYSA-N;459.55;2.78;;;;;CACO;ECACO;25;0;"from A to B, <a href=https://www.ebi.ac.uk/chembl/assay_report_card/CHEMBL1010166/  target=_blank>CHEMBL1010166</a>";;;;;;;;;-6.3;;;;;;;;;;;;"Qiao JX, King SR, He K, Wong PC, Rendina AR, Luettgen JM, Xin B, Knabb RM, Wexler RR, Lam PY.: Highly efficacious factor Xa inhibitors containing alpha-substituted phenylcycloalkyl P4 moieties. Bioorg Med Chem Lett, Volume 19 (2), 2009";ChEMBL
MM476079;MM476079;COc1ccc2c(Oc3ccc(NC(=O)c4c(C)n(CC(C)(C)O)n(-c5ccccc5)c4=O)nc3)ccnc2c1;GLBZSOQDAOLMGC-UHFFFAOYSA-N;539.59;4.71;24764449;;;CHEMBL460472;CACO;ECACO;25;0;"from A to B, <a href=https://www.ebi.ac.uk/chembl/assay_report_card/CHEMBL985584/  target=_blank>CHEMBL985584</a>";;;;;;;;;-4.49;;;;;;;;;;;;"Liu L, Siegmund A, Xi N, Kaplan-Lefko P, Rex K, Chen A, Lin J, Moriguchi J, Berry L, Huang L, Teffera Y, Yang Y, Zhang Y, Bellon SF, Lee M, Shimanovich R, Bak A, Dominguez C, Norman MH, Harmange JC, Dussault I, Kim TS.: Discovery of a potent, selective, and orally bioavailable c-Met inhibitor: 1-(2-hydroxy-2-methylpropyl)-N-(5-(7-methoxyquinolin-4-yloxy)pyridin-2-yl)-5-methyl-3-oxo-2-phenyl-2,3-dihydro-1H-pyrazole-4-carboxamide (AMG 458). J Med Chem, Volume 51 (13), 2008";ChEMBL
MM476080;MM476080;Cn1cnc(S(=O)(=O)N(Cc2cccc(-n3cccc3)c2)C2Cc3cc(C#N)ccc3N(Cc3cncn3C)C2)c1;;566.69;3.64;44566101;;;CHEMBL460522;CACO;ECACO;25;0;"from A to B, <a href=https://www.ebi.ac.uk/chembl/assay_report_card/CHEMBL967838/  target=_blank>CHEMBL967838</a>";;;;;;;;;-6.7;;;;;;;;;;;;"Van Voorhis WC, Rivas KL, Bendale P, Nallan L, Hornéy C, Barrett LK, Bauer KD, Smart BP, Ankala S, Hucke O, Verlinde CL, Chakrabarti D, Strickland C, Yokoyama K, Buckner FS, Hamilton AD, Williams DK, Lombardo LJ, Floyd D, Gelb MH.: Efficacy, pharmacokinetics, and metabolism of tetrahydroquinoline inhibitors of Plasmodium falciparum protein farnesyltransferase. Antimicrob Agents Chemother, Volume 51 (10), 2007";ChEMBL
MM476081;MM476081;CNCC1(c2ccc(N3CCc4c(C(F)(F)F)nn(-c5ccc(OC)cc5)c4C3=O)cc2)CC1;GXPIFAHKQNGNSM-UHFFFAOYSA-N;470.5;4.35;;;;;CACO;ECACO;25;0;"from A to B, <a href=https://www.ebi.ac.uk/chembl/assay_report_card/CHEMBL1010166/  target=_blank>CHEMBL1010166</a>";;;;;;;;;-5.59;;;;;;;;;;;;"Qiao JX, King SR, He K, Wong PC, Rendina AR, Luettgen JM, Xin B, Knabb RM, Wexler RR, Lam PY.: Highly efficacious factor Xa inhibitors containing alpha-substituted phenylcycloalkyl P4 moieties. Bioorg Med Chem Lett, Volume 19 (2), 2009";ChEMBL
MM476082;MM476082;COc1ccc(-n2nc(C(F)(F)F)c3c2C(=O)N(c2ccc(C4(CN5CCCC5)CC4)cc2)CC3)cc1;VNHRSGCBTKUBAX-UHFFFAOYSA-N;510.56;5.23;;;;;CACO;ECACO;25;0;"from A to B, <a href=https://www.ebi.ac.uk/chembl/assay_report_card/CHEMBL1010166/  target=_blank>CHEMBL1010166</a>";;;;;;;;;-5.15;;;;;;;;;;;;"Qiao JX, King SR, He K, Wong PC, Rendina AR, Luettgen JM, Xin B, Knabb RM, Wexler RR, Lam PY.: Highly efficacious factor Xa inhibitors containing alpha-substituted phenylcycloalkyl P4 moieties. Bioorg Med Chem Lett, Volume 19 (2), 2009";ChEMBL
MM476083;MM476083;NC(=O)C1(Cc2ccc(OCc3cc(-c4ccccc4)nc4ccccc34)c(F)c2)CC1C(=O)NO;ZVRPHGZPZLMEPV-PIKZIKFNSA-N;485.52;4.16;25138228;;;CHEMBL461220;CACO;ECACO;25;0;"from A to B, <a href=https://www.ebi.ac.uk/chembl/assay_report_card/CHEMBL1002004/  target=_blank>CHEMBL1002004</a>";;;;;;;;;-6.52;;;;;;;;;;;;"Mazzola RD, Zhu Z, Sinning L, McKittrick B, Lavey B, Spitler J, Kozlowski J, Neng-Yang S, Zhou G, Guo Z, Orth P, Madison V, Sun J, Lundell D, Niu X.: Discovery of novel hydroxamates as highly potent tumor necrosis factor-alpha converting enzyme inhibitors. Part II: optimization of the S3' pocket. Bioorg Med Chem Lett, Volume 18 (21), 2008";ChEMBL
MM476084;MM476084;COc1ccc(-n2nc(C(F)(F)F)c3c2C(=O)N(c2ccc(C4(CN(C)C)CC4)cc2)CC3)cc1;;484.52;4.7;10345230;;;CHEMBL461297;CACO;ECACO;25;0;"from A to B, <a href=https://www.ebi.ac.uk/chembl/assay_report_card/CHEMBL1010166/  target=_blank>CHEMBL1010166</a>";;;;;;;;;-5.07;;;;;;;;;;;;"Qiao JX, King SR, He K, Wong PC, Rendina AR, Luettgen JM, Xin B, Knabb RM, Wexler RR, Lam PY.: Highly efficacious factor Xa inhibitors containing alpha-substituted phenylcycloalkyl P4 moieties. Bioorg Med Chem Lett, Volume 19 (2), 2009";ChEMBL
MM476085;MM476085;COc1ccc(N2N=C(S(C)(=O)=O)C3CCN(c4ccc(C5(CN(C)C)CC5)cc4)C(=O)C32)cc1;JCWCHQSJMSXHAQ-UHFFFAOYSA-N;496.63;2.89;;;;;CACO;ECACO;25;0;"from A to B, <a href=https://www.ebi.ac.uk/chembl/assay_report_card/CHEMBL1010166/  target=_blank>CHEMBL1010166</a>";;;;;;;;;-6.1;;;;;;;;;;;;"Qiao JX, King SR, He K, Wong PC, Rendina AR, Luettgen JM, Xin B, Knabb RM, Wexler RR, Lam PY.: Highly efficacious factor Xa inhibitors containing alpha-substituted phenylcycloalkyl P4 moieties. Bioorg Med Chem Lett, Volume 19 (2), 2009";ChEMBL
MM476089;MM476089;O=C(Nc1ccc2ncn(Cc3ccc(Cl)c(Cl)c3)c(=O)c2c1)OCc1ccccc1;;454.31;5.5;25157288;;;CHEMBL466313;CACO;ECACO;25;0;"from A to B, <a href=https://www.ebi.ac.uk/chembl/assay_report_card/CHEMBL1015824/  target=_blank>CHEMBL1015824</a>";;;;;;;;;-5.77;;;;;;;;;;;;"Koltun DO, Vasilevich NI, Parkhill EQ, Glushkov AI, Zilbershtein TM, Mayboroda EI, Boze MA, Cole AG, Henderson I, Zautke NA, Brunn SA, Chu N, Hao J, Mollova N, Leung K, Chisholm JW, Zablocki J.: Orally bioavailable, liver-selective stearoyl-CoA desaturase (SCD) inhibitors. Bioorg Med Chem Lett, Volume 19 (11), 2009";ChEMBL
MM476090;MM476090;O=C(Nc1ccc2ncn(Cc3ccc(F)c(Cl)c3)c(=O)c2c1)OCc1ccccc1;;437.86;4.99;25157578;;;CHEMBL466314;CACO;ECACO;25;0;"from A to B, <a href=https://www.ebi.ac.uk/chembl/assay_report_card/CHEMBL1015824/  target=_blank>CHEMBL1015824</a>";;;;;;;;;-6.1;;;;;;;;;;;;"Koltun DO, Vasilevich NI, Parkhill EQ, Glushkov AI, Zilbershtein TM, Mayboroda EI, Boze MA, Cole AG, Henderson I, Zautke NA, Brunn SA, Chu N, Hao J, Mollova N, Leung K, Chisholm JW, Zablocki J.: Orally bioavailable, liver-selective stearoyl-CoA desaturase (SCD) inhibitors. Bioorg Med Chem Lett, Volume 19 (11), 2009";ChEMBL
MM476091;MM476091;O=C(CO)Nc1ccc2ncn(Cc3ccc(Cl)c(C(F)(F)F)c3)c(=O)c2c1;;411.77;3.05;25159237;;;CHEMBL466674;CACO;ECACO;25;0;"from A to B, <a href=https://www.ebi.ac.uk/chembl/assay_report_card/CHEMBL1015824/  target=_blank>CHEMBL1015824</a>";;;;;;;;;-4.37;;;;;;;;;;;;"Koltun DO, Vasilevich NI, Parkhill EQ, Glushkov AI, Zilbershtein TM, Mayboroda EI, Boze MA, Cole AG, Henderson I, Zautke NA, Brunn SA, Chu N, Hao J, Mollova N, Leung K, Chisholm JW, Zablocki J.: Orally bioavailable, liver-selective stearoyl-CoA desaturase (SCD) inhibitors. Bioorg Med Chem Lett, Volume 19 (11), 2009";ChEMBL
MM476092;MM476092;O=C(COc1ccccc1)Nc1ccc2ncn(Cc3ccc(Cl)c(Cl)c3)c(=O)c2c1;;454.31;4.77;25155343;;;CHEMBL466720;CACO;ECACO;25;0;"from A to B, <a href=https://www.ebi.ac.uk/chembl/assay_report_card/CHEMBL1015824/  target=_blank>CHEMBL1015824</a>";;;;;;;;;-5.82;;;;;;;;;;;;"Koltun DO, Vasilevich NI, Parkhill EQ, Glushkov AI, Zilbershtein TM, Mayboroda EI, Boze MA, Cole AG, Henderson I, Zautke NA, Brunn SA, Chu N, Hao J, Mollova N, Leung K, Chisholm JW, Zablocki J.: Orally bioavailable, liver-selective stearoyl-CoA desaturase (SCD) inhibitors. Bioorg Med Chem Lett, Volume 19 (11), 2009";ChEMBL
MM476093;MM476093;O=C(CO)Nc1cnc2ncn(Cc3ccc(Cl)c(Cl)c3)c(=O)c2c1;;379.2;2.08;44574733;;;CHEMBL467091;CACO;ECACO;25;0;"from A to B, <a href=https://www.ebi.ac.uk/chembl/assay_report_card/CHEMBL1015824/  target=_blank>CHEMBL1015824</a>";;;;;;;;;-5.03;;;;;;;;;;;;"Koltun DO, Vasilevich NI, Parkhill EQ, Glushkov AI, Zilbershtein TM, Mayboroda EI, Boze MA, Cole AG, Henderson I, Zautke NA, Brunn SA, Chu N, Hao J, Mollova N, Leung K, Chisholm JW, Zablocki J.: Orally bioavailable, liver-selective stearoyl-CoA desaturase (SCD) inhibitors. Bioorg Med Chem Lett, Volume 19 (11), 2009";ChEMBL
MM476101;MM476101;CNCC1(c2ccc(N3CCc4c(C(N)=O)nn(-c5ccc(OC)cc5)c4C3=O)cc2)CC1;GXFDTYKWAIFLIR-UHFFFAOYSA-N;445.52;2.43;;;;;CACO;ECACO;25;0;"from A to B, <a href=https://www.ebi.ac.uk/chembl/assay_report_card/CHEMBL1010166/  target=_blank>CHEMBL1010166</a>";;;;;;;;;-7;;;;;;;;;;;;"Qiao JX, King SR, He K, Wong PC, Rendina AR, Luettgen JM, Xin B, Knabb RM, Wexler RR, Lam PY.: Highly efficacious factor Xa inhibitors containing alpha-substituted phenylcycloalkyl P4 moieties. Bioorg Med Chem Lett, Volume 19 (2), 2009";ChEMBL
MM476102;MM476102;CC(C)(C)CCN1C(=O)C(C2=NS(=O)(=O)c3ccccc32)=C(O)C1C(C)(C)C;;404.53;3.68;135428568;;;CHEMBL469457;CACO;ECACO;25;0;"from A to B, <a href=https://www.ebi.ac.uk/chembl/assay_report_card/CHEMBL945416/  target=_blank>CHEMBL945416</a>";;;;;;;;;-5;;;;;;;;;;;;"Kim SH, Tran MT, Ruebsam F, Xiang AX, Ayida B, McGuire H, Ellis D, Blazel J, Tran CV, Murphy DE, Webber SE, Zhou Y, Shah AM, Tsan M, Showalter RE, Patel R, Gobbi A, LeBrun LA, Bartkowski DM, Nolan TG, Norris DA, Sergeeva MV, Kirkovsky L, Zhao Q, Han Q, Kissinger CR.: Structure-based design, synthesis, and biological evaluation of 1,1-dioxoisothiazole and benzo[b]thiophene-1,1-dioxide derivatives as novel inhibitors of hepatitis C virus NS5B polymerase. Bioorg Med Chem Lett, Volume 18 (14), 2008";ChEMBL
MM476103;MM476103;CC(C)(C)C1C(O)=C(C2=NS(=O)(=O)c3c(CNS(C)(=O)=O)cccc32)C(=O)N1Cc1ccc(F)c(Cl)c1;;570.06;3.29;135874105;;;CHEMBL469881;CACO;ECACO;25;0;"from A to B, <a href=https://www.ebi.ac.uk/chembl/assay_report_card/CHEMBL945416/  target=_blank>CHEMBL945416</a>";;;;;;;;;-7;;;;;;;;;;;;"Kim SH, Tran MT, Ruebsam F, Xiang AX, Ayida B, McGuire H, Ellis D, Blazel J, Tran CV, Murphy DE, Webber SE, Zhou Y, Shah AM, Tsan M, Showalter RE, Patel R, Gobbi A, LeBrun LA, Bartkowski DM, Nolan TG, Norris DA, Sergeeva MV, Kirkovsky L, Zhao Q, Han Q, Kissinger CR.: Structure-based design, synthesis, and biological evaluation of 1,1-dioxoisothiazole and benzo[b]thiophene-1,1-dioxide derivatives as novel inhibitors of hepatitis C virus NS5B polymerase. Bioorg Med Chem Lett, Volume 18 (14), 2008";ChEMBL
MM476104;MM476104;C=C(F)CN(CC)C(=O)[C@@]1(c2cccs2)C[C@H]1CN;MGQRODBGBVCRHA-FZMZJTMJSA-N;282.38;2.3;;;;;CACO;ECACO;25;0;"from A to B, <a href=https://www.ebi.ac.uk/chembl/assay_report_card/CHEMBL948483/  target=_blank>CHEMBL948483</a>";;;;;;;;;-4.78;;;;;;;;;;;;"Dyck B, Tamiya J, Jovic F, Pick RR, Bradbury MJ, O'Brien J, Wen J, Johns M, Madan A, Fleck BA, Foster AC, Li B, Zhang M, Tran JA, Vickers T, Grey J, Saunders J, Chen C.: Characterization of thien-2-yl 1S,2R-milnacipran analogues as potent norepinephrine/serotonin transporter inhibitors for the treatment of neuropathic pain. J Med Chem, Volume 51 (22), 2008";ChEMBL
MM476105;MM476105;C=CCN(C(=O)[C@@]1(c2cccs2)C[C@H]1CN)C1CC1;OZOIMHBDGJFSOJ-NHYWBVRUSA-N;276.41;2.14;;;;;CACO;ECACO;25;0;"from A to B, <a href=https://www.ebi.ac.uk/chembl/assay_report_card/CHEMBL948483/  target=_blank>CHEMBL948483</a>";;;;;;;;;-4.75;;;;;;;;;;;;"Dyck B, Tamiya J, Jovic F, Pick RR, Bradbury MJ, O'Brien J, Wen J, Johns M, Madan A, Fleck BA, Foster AC, Li B, Zhang M, Tran JA, Vickers T, Grey J, Saunders J, Chen C.: Characterization of thien-2-yl 1S,2R-milnacipran analogues as potent norepinephrine/serotonin transporter inhibitors for the treatment of neuropathic pain. J Med Chem, Volume 51 (22), 2008";ChEMBL
MM476106;MM476106;CCN(CC)C(=O)[C@]1(c2ccccc2)C[C@H]1CN;GJJFMKBJSRMPLA-ZFWWWQNUSA-N;246.35;1.77;;;;;CACO;ECACO;25;0;"from A to B, <a href=https://www.ebi.ac.uk/chembl/assay_report_card/CHEMBL948483/  target=_blank>CHEMBL948483</a>";;;;;;;;;-5.29;;;;;;;;;;;;"Dyck B, Tamiya J, Jovic F, Pick RR, Bradbury MJ, O'Brien J, Wen J, Johns M, Madan A, Fleck BA, Foster AC, Li B, Zhang M, Tran JA, Vickers T, Grey J, Saunders J, Chen C.: Characterization of thien-2-yl 1S,2R-milnacipran analogues as potent norepinephrine/serotonin transporter inhibitors for the treatment of neuropathic pain. J Med Chem, Volume 51 (22), 2008";ChEMBL
MM476107;MM476107;C=CCN(CC)C(=O)[C@@]1(c2cccs2)C[C@H]1CN;VXBRIAOTINONRK-FZMZJTMJSA-N;264.39;2;;;;;CACO;ECACO;25;0;"from A to B, <a href=https://www.ebi.ac.uk/chembl/assay_report_card/CHEMBL948483/  target=_blank>CHEMBL948483</a>";;;;;;;;;-4.86;;;;;;;;;;;;"Dyck B, Tamiya J, Jovic F, Pick RR, Bradbury MJ, O'Brien J, Wen J, Johns M, Madan A, Fleck BA, Foster AC, Li B, Zhang M, Tran JA, Vickers T, Grey J, Saunders J, Chen C.: Characterization of thien-2-yl 1S,2R-milnacipran analogues as potent norepinephrine/serotonin transporter inhibitors for the treatment of neuropathic pain. J Med Chem, Volume 51 (22), 2008";ChEMBL
MM476108;MM476108;NC[C@@H]1C[C@@]1(C(=O)N1Cc2ccccc2C1)c1cccs1;ASCGGWXVCATSKL-YOEHRIQHSA-N;298.41;2.51;;;;;CACO;ECACO;25;0;"from A to B, <a href=https://www.ebi.ac.uk/chembl/assay_report_card/CHEMBL948483/  target=_blank>CHEMBL948483</a>";;;;;;;;;-5.08;;;;;;;;;;;;"Dyck B, Tamiya J, Jovic F, Pick RR, Bradbury MJ, O'Brien J, Wen J, Johns M, Madan A, Fleck BA, Foster AC, Li B, Zhang M, Tran JA, Vickers T, Grey J, Saunders J, Chen C.: Characterization of thien-2-yl 1S,2R-milnacipran analogues as potent norepinephrine/serotonin transporter inhibitors for the treatment of neuropathic pain. J Med Chem, Volume 51 (22), 2008";ChEMBL
MM476109;MM476109;COc1ccc(-n2nc(C(F)(F)F)c3c2C(=O)N(c2ccc(C4(Cn5ccnc5C)CC4)cc2)CC3)cc1;ZDHSUHHKRRWGLY-UHFFFAOYSA-N;521.54;5.34;;;;;CACO;ECACO;25;0;"from A to B, <a href=https://www.ebi.ac.uk/chembl/assay_report_card/CHEMBL1010166/  target=_blank>CHEMBL1010166</a>";;;;;;;;;-5.15;;;;;;;;;;;;"Qiao JX, King SR, He K, Wong PC, Rendina AR, Luettgen JM, Xin B, Knabb RM, Wexler RR, Lam PY.: Highly efficacious factor Xa inhibitors containing alpha-substituted phenylcycloalkyl P4 moieties. Bioorg Med Chem Lett, Volume 19 (2), 2009";ChEMBL
MM476111;MM476111;CCCCCCC(N)C(=O)NC(Cc1ccc(O)cc1)C(=O)N1CCCC1C(=O)NC(Cc1c[nH]c2ccccc12)C(=O)NC(Cc1ccccc1)C(N)=O;ISXFTRWXVQNDLR-OINPDUSQSA-N;751.93;3.13;44586706;;;CHEMBL471806;CACO;ECACO;25;0;"from A to B, <a href=https://www.ebi.ac.uk/chembl/assay_report_card/CHEMBL955665/  target=_blank>CHEMBL955665</a>";;;;;;;;;-5.45;;;;;;;;;;;;"Koda Y, Del Borgo M, Wessling ST, Lazarus LH, Okada Y, Toth I, Blanchfield JT.: Synthesis and in vitro evaluation of a library of modified endomorphin 1 peptides. Bioorg Med Chem, Volume 16 (11), 2008";ChEMBL
MM476112;MM476112;C#CCN(CC)C(=O)[C@@]1(c2cccs2)C[C@H]1CN;DBDIPFBJGDKNIO-FZMZJTMJSA-N;262.38;1.45;;;;;CACO;ECACO;25;0;"from A to B, <a href=https://www.ebi.ac.uk/chembl/assay_report_card/CHEMBL948483/  target=_blank>CHEMBL948483</a>";;;;;;;;;-4.69;;;;;;;;;;;;"Dyck B, Tamiya J, Jovic F, Pick RR, Bradbury MJ, O'Brien J, Wen J, Johns M, Madan A, Fleck BA, Foster AC, Li B, Zhang M, Tran JA, Vickers T, Grey J, Saunders J, Chen C.: Characterization of thien-2-yl 1S,2R-milnacipran analogues as potent norepinephrine/serotonin transporter inhibitors for the treatment of neuropathic pain. J Med Chem, Volume 51 (22), 2008";ChEMBL
Dofetilide;MM16908;CN(CCOc1ccc(NS(C)(=O)=O)cc1)CCc1ccc(NS(C)(=O)=O)cc1;IXTMWRCNAAVVAI-UHFFFAOYSA-N;441.58;1.98;71329;;;CHEMBL473;CACO;ECACO;25;0;"from A to B, <a href=https://www.ebi.ac.uk/chembl/assay_report_card/CHEMBL889311/  target=_blank>CHEMBL889311</a>";;;;;;;;;-4.8;;;;;;;;;;;;"Singleton DH, Boyd H, Steidl-Nichols JV, Deacon M, Groot MJ, Price D, Nettleton DO, Wallace NK, Troutman MD, Williams C, Boyd JG.: Fluorescently labeled analogues of dofetilide as high-affinity fluorescence polarization ligands for the human ether-a-go-go-related gene (hERG) channel. J Med Chem, Volume 50 (13), 2007";ChEMBL
MM476113;MM476113;CS(=O)(=O)Nc1ccc2c(c1)S(=O)(=O)N=C(C1=C(O)C3CCCCC3N(Cc3ccc(F)cc3)C1=O)N2;KMSYAEIZBCDWRW-PKOBYXMFSA-N;548.62;3.12;135955692;;;CHEMBL473464;CACO;ECACO;25;0;"from A to B, <a href=https://www.ebi.ac.uk/chembl/assay_report_card/CHEMBL955142/  target=_blank>CHEMBL955142</a>";;;;;;;;;-6.17;;;;;;;;;;;;"Ruebsam F, Tran CV, Li LS, Kim SH, Xiang AX, Zhou Y, Blazel JK, Sun Z, Dragovich PS, Zhao J, McGuire HM, Murphy DE, Tran MT, Stankovic N, Ellis DA, Gobbi A, Showalter RE, Webber SE, Shah AM, Tsan M, Patel RA, Lebrun LA, Hou HJ, Kamran R, Sergeeva MV, Bartkowski DM, Nolan TG, Norris DA, Kirkovsky L.: 5,6-Dihydro-1H-pyridin-2-ones as potent inhibitors of HCV NS5B polymerase. Bioorg Med Chem Lett, Volume 19 (2), 2009";ChEMBL
MM476114;MM476114;Nc1ncnc2c1ncn2C1OC(COC(=O)C(N)Cc2ccccc2)C(O)C1O;IMSXVJLTCFJFIR-PMSSTTEUSA-N;414.42;-0.86;44572005;;;CHEMBL474055;CACO;ECACO;25;0;"from A to B, <a href=https://www.ebi.ac.uk/chembl/assay_report_card/CHEMBL942586/  target=_blank>CHEMBL942586</a>";;;;;;;;;-6.18;;;;;;;;;;;;"Shen W, Kim JS, Kish PE, Zhang J, Mitchell S, Gentry BG, Breitenbach JM, Drach JC, Hilfinger J.: Design and synthesis of vidarabine prodrugs as antiviral agents. Bioorg Med Chem Lett, Volume 19 (3), 2009";ChEMBL
MM476115;MM476115;CS(=O)(=O)Nc1ccc2c(c1)S(=O)(=O)N=C(C1=C(O)C3CCCC3N(Cc3ccc(F)c(F)c3)C1=O)N2;FUYGFKRYXHLTKS-KBXCAEBGSA-N;552.58;2.87;136117779;;;CHEMBL474681;CACO;ECACO;25;0;"from A to B, <a href=https://www.ebi.ac.uk/chembl/assay_report_card/CHEMBL955142/  target=_blank>CHEMBL955142</a>";;;;;;;;;-6.08;;;;;;;;;;;;"Ruebsam F, Tran CV, Li LS, Kim SH, Xiang AX, Zhou Y, Blazel JK, Sun Z, Dragovich PS, Zhao J, McGuire HM, Murphy DE, Tran MT, Stankovic N, Ellis DA, Gobbi A, Showalter RE, Webber SE, Shah AM, Tsan M, Patel RA, Lebrun LA, Hou HJ, Kamran R, Sergeeva MV, Bartkowski DM, Nolan TG, Norris DA, Kirkovsky L.: 5,6-Dihydro-1H-pyridin-2-ones as potent inhibitors of HCV NS5B polymerase. Bioorg Med Chem Lett, Volume 19 (2), 2009";ChEMBL
MM476116;MM476116;CC(C)C(N)C(=O)OCC1OC(n2cnc3c(N)ncnc32)C(O)C1O;BMEANLWXFGBEDK-UDTSGEQISA-N;366.38;-1.45;24770516;;;CHEMBL475035;CACO;ECACO;25;0;"from A to B, <a href=https://www.ebi.ac.uk/chembl/assay_report_card/CHEMBL942586/  target=_blank>CHEMBL942586</a>";;;;;;;;;-6.22;;;;;;;;;;;;"Shen W, Kim JS, Kish PE, Zhang J, Mitchell S, Gentry BG, Breitenbach JM, Drach JC, Hilfinger J.: Design and synthesis of vidarabine prodrugs as antiviral agents. Bioorg Med Chem Lett, Volume 19 (3), 2009";ChEMBL
MM476120;MM476120;CS(=O)(=O)Nc1ccc2c(c1)S(=O)(=O)N=C(C1=C(O)C3CCCCCC3N(Cc3ccc(F)cc3)C1=O)N2;YDSARQVEDLUCKQ-UHFFFAOYSA-N;562.65;3.51;135955970;;;CHEMBL476270;CACO;ECACO;25;0;"from A to B, <a href=https://www.ebi.ac.uk/chembl/assay_report_card/CHEMBL955142/  target=_blank>CHEMBL955142</a>";;;;;;;;;-6.02;;;;;;;;;;;;"Ruebsam F, Tran CV, Li LS, Kim SH, Xiang AX, Zhou Y, Blazel JK, Sun Z, Dragovich PS, Zhao J, McGuire HM, Murphy DE, Tran MT, Stankovic N, Ellis DA, Gobbi A, Showalter RE, Webber SE, Shah AM, Tsan M, Patel RA, Lebrun LA, Hou HJ, Kamran R, Sergeeva MV, Bartkowski DM, Nolan TG, Norris DA, Kirkovsky L.: 5,6-Dihydro-1H-pyridin-2-ones as potent inhibitors of HCV NS5B polymerase. Bioorg Med Chem Lett, Volume 19 (2), 2009";ChEMBL
MM476121;MM476121;CC(C)(C)CCN1C(=O)C(C2=NS(=O)(=O)c3cc(NS(C)(=O)=O)ccc3N2)=C(O)C2CCCC21;FMBGSDDLWWWFEX-UHFFFAOYSA-N;510.64;2.83;135955933;;;CHEMBL476271;CACO;ECACO;25;0;"from A to B, <a href=https://www.ebi.ac.uk/chembl/assay_report_card/CHEMBL955142/  target=_blank>CHEMBL955142</a>";;;;;;;;;-5.38;;;;;;;;;;;;"Ruebsam F, Tran CV, Li LS, Kim SH, Xiang AX, Zhou Y, Blazel JK, Sun Z, Dragovich PS, Zhao J, McGuire HM, Murphy DE, Tran MT, Stankovic N, Ellis DA, Gobbi A, Showalter RE, Webber SE, Shah AM, Tsan M, Patel RA, Lebrun LA, Hou HJ, Kamran R, Sergeeva MV, Bartkowski DM, Nolan TG, Norris DA, Kirkovsky L.: 5,6-Dihydro-1H-pyridin-2-ones as potent inhibitors of HCV NS5B polymerase. Bioorg Med Chem Lett, Volume 19 (2), 2009";ChEMBL
MM476123;MM476123;CS(=O)(=O)Nc1ccc2c(c1)S(=O)(=O)N=C(C1=C(O)[C@H]3CCC[C@H]3N(Cc3ccc(F)cc3)C1=O)N2;PAEBVIJMNXTTAT-FUHWJXTLSA-N;534.59;2.73;;;;;CACO;ECACO;25;0;"from A to B, <a href=https://www.ebi.ac.uk/chembl/assay_report_card/CHEMBL955142/  target=_blank>CHEMBL955142</a>";;;;;;;;;-5.8;;;;;;;;;;;;"Ruebsam F, Tran CV, Li LS, Kim SH, Xiang AX, Zhou Y, Blazel JK, Sun Z, Dragovich PS, Zhao J, McGuire HM, Murphy DE, Tran MT, Stankovic N, Ellis DA, Gobbi A, Showalter RE, Webber SE, Shah AM, Tsan M, Patel RA, Lebrun LA, Hou HJ, Kamran R, Sergeeva MV, Bartkowski DM, Nolan TG, Norris DA, Kirkovsky L.: 5,6-Dihydro-1H-pyridin-2-ones as potent inhibitors of HCV NS5B polymerase. Bioorg Med Chem Lett, Volume 19 (2), 2009";ChEMBL
MM476124;MM476124;CS(=O)(=O)Nc1ccc2c(c1)S(=O)(=O)N=C(C1=C(O)C3CCCC3N(Cc3ccc(F)cc3)C1=O)N2;;534.59;2.54;135955914;;;CHEMBL477014;CACO;ECACO;25;0;"from A to B, <a href=https://www.ebi.ac.uk/chembl/assay_report_card/CHEMBL955142/  target=_blank>CHEMBL955142</a>";;;;;;;;;-6.06;;;;;;;;;;;;"Ruebsam F, Tran CV, Li LS, Kim SH, Xiang AX, Zhou Y, Blazel JK, Sun Z, Dragovich PS, Zhao J, McGuire HM, Murphy DE, Tran MT, Stankovic N, Ellis DA, Gobbi A, Showalter RE, Webber SE, Shah AM, Tsan M, Patel RA, Lebrun LA, Hou HJ, Kamran R, Sergeeva MV, Bartkowski DM, Nolan TG, Norris DA, Kirkovsky L.: 5,6-Dihydro-1H-pyridin-2-ones as potent inhibitors of HCV NS5B polymerase. Bioorg Med Chem Lett, Volume 19 (2), 2009";ChEMBL
MM476124;MM476124;CS(=O)(=O)Nc1ccc2c(c1)S(=O)(=O)N=C(C1=C(O)C3CCCC3N(Cc3ccc(F)cc3)C1=O)N2;;534.59;2.54;135955914;;;CHEMBL477014;CACO;ECACO;25;0;"from A to B, <a href=https://www.ebi.ac.uk/chembl/assay_report_card/CHEMBL1112197/  target=_blank>CHEMBL1112197</a>";;;;;;;;;-5.8;;;;;;;;;;;;"Ruebsam F, Murphy DE, Tran CV, Li LS, Zhao J, Dragovich PS, McGuire HM, Xiang AX, Sun Z, Ayida BK, Blazel JK, Kim SH, Zhou Y, Han Q, Kissinger CR, Webber SE, Showalter RE, Shah AM, Tsan M, Patel RA, Thompson PA, Lebrun LA, Hou HJ, Kamran R, Sergeeva MV, Bartkowski DM, Nolan TG, Norris DA, Khandurina J, Brooks J, Okamoto E, Kirkovsky L.: Discovery of tricyclic 5,6-dihydro-1H-pyridin-2-ones as novel, potent, and orally bioavailable inhibitors of HCV NS5B polymerase. Bioorg Med Chem Lett, Volume 19 (22), 2009";ChEMBL
MM476124;MM476124;CS(=O)(=O)Nc1ccc2c(c1)S(=O)(=O)N=C(C1=C(O)C3CCCC3N(Cc3ccc(F)cc3)C1=O)N2;;534.59;2.54;135955914;;;CHEMBL477014;CACO;ECACO;25;0;"from A to B, <a href=https://www.ebi.ac.uk/chembl/assay_report_card/CHEMBL1041711/  target=_blank>CHEMBL1041711</a>";;;;;;;;;-5.8;;;;;;;;;;;;"Ellis DA, Blazel JK, Tran CV, Ruebsam F, Murphy DE, Li LS, Zhao J, Zhou Y, McGuire HM, Xiang AX, Webber SE, Zhao Q, Han Q, Kissinger CR, Lardy M, Gobbi A, Showalter RE, Shah AM, Tsan M, Patel RA, LeBrun LA, Kamran R, Bartkowski DM, Nolan TG, Norris DA, Sergeeva MV, Kirkovsky L.: 5,5'- and 6,6'-dialkyl-5,6-dihydro-1H-pyridin-2-ones as potent inhibitors of HCV NS5B polymerase. Bioorg Med Chem Lett, Volume 19 (21), 2009";ChEMBL
MM476127;MM476127;CC(C)(C)CCN1C(=O)C(C2=NS(=O)(=O)c3cc(NS(C)(=O)=O)ccc3N2)=C(O)C2CCCCC21;QTDPGMAKDPBABE-UHFFFAOYSA-N;524.67;3.22;135955949;;;CHEMBL477948;CACO;ECACO;25;0;"from A to B, <a href=https://www.ebi.ac.uk/chembl/assay_report_card/CHEMBL955142/  target=_blank>CHEMBL955142</a>";;;;;;;;;-5.51;;;;;;;;;;;;"Ruebsam F, Tran CV, Li LS, Kim SH, Xiang AX, Zhou Y, Blazel JK, Sun Z, Dragovich PS, Zhao J, McGuire HM, Murphy DE, Tran MT, Stankovic N, Ellis DA, Gobbi A, Showalter RE, Webber SE, Shah AM, Tsan M, Patel RA, Lebrun LA, Hou HJ, Kamran R, Sergeeva MV, Bartkowski DM, Nolan TG, Norris DA, Kirkovsky L.: 5,6-Dihydro-1H-pyridin-2-ones as potent inhibitors of HCV NS5B polymerase. Bioorg Med Chem Lett, Volume 19 (2), 2009";ChEMBL
MM475118;MM475118;CCOC(=O)N(Cc1ccccc1-c1ccccc1)C1CCNC1;;324.42;3.67;24962988;;;CHEMBL478834;CACO;ECACO;25;0;"from A to B, <a href=https://www.ebi.ac.uk/chembl/assay_report_card/CHEMBL993585/  target=_blank>CHEMBL993585</a>";;;;;;;;;-4.57;;;;;;;;;;;;"Fish PV, Barta NS, Gray DL, Ryckmans T, Stobie A, Wakenhut F, Whitlock GA.: Derivatives of (3S)-N-(biphenyl-2-ylmethyl)pyrrolidin-3-amine as selective noradrenaline reuptake inhibitors: Reducing P-gp mediated efflux by modulation of H-bond acceptor capacity. Bioorg Med Chem Lett, Volume 18 (15), 2008";ChEMBL
MM473730;MM473730;CCC(CC)C(CO)NS(=O)(=O)c1ccc(Cl)s1;PYZFRRVBPNGCBX-SECBINFHSA-N;311.86;2.48;11358855;;;CHEMBL480558;CACO;ECACO;25;0;"from A to B, <a href=https://www.ebi.ac.uk/chembl/assay_report_card/CHEMBL999315/  target=_blank>CHEMBL999315</a>";;;;;;;;;-4.3;;;;;;;;;;;;"Mayer SC, Kreft AF, Harrison B, Abou-Gharbia M, Antane M, Aschmies S, Atchison K, Chlenov M, Cole DC, Comery T, Diamantidis G, Ellingboe J, Fan K, Galante R, Gonzales C, Ho DM, Hoke ME, Hu Y, Huryn D, Jain U, Jin M, Kremer K, Kubrak D, Lin M, Lu P, Magolda R, Martone R, Moore W, Oganesian A, Pangalos MN, Porte A, Reinhart P, Resnick L, Riddell DR, Sonnenberg-Reines J, Stock JR, Sun SC, Wagner E, Wang T, Woller K, Xu Z, Zaleska MM, Zeldis J, Zhang M, Zhou H, Jacobsen JS.: Discovery of begacestat, a Notch-1-sparing gamma-secretase inhibitor for the treatment of Alzheimer's disease. J Med Chem, Volume 51 (23), 2008";ChEMBL
MM473730;MM473730;CCC(CC)C(CO)NS(=O)(=O)c1ccc(Cl)s1;PYZFRRVBPNGCBX-SECBINFHSA-N;311.86;2.48;11358855;;;CHEMBL480558;CACO;ECACO;25;0;"from A to B, <a href=https://www.ebi.ac.uk/chembl/assay_report_card/CHEMBL1111684/  target=_blank>CHEMBL1111684</a>";;;;;;;;;-4.3;;;;;;;;;;;;"Kreft AF, Martone R, Porte A.: Recent advances in the identification of gamma-secretase inhibitors to clinically test the Abeta oligomer hypothesis of Alzheimer's disease. J Med Chem, Volume 52 (20), 2009";ChEMBL
MM476133;MM476133;CC(CC(=O)O)Nc1nccc(-c2cn[nH]c2-c2ccc(Cl)cc2)n1;;357.8;3.46;44591702;;;CHEMBL484341;CACO;ECACO;25;0;"from A to B, <a href=https://www.ebi.ac.uk/chembl/assay_report_card/CHEMBL984190/  target=_blank>CHEMBL984190</a>";;;;;;;;;-6.52;;;;;;;;;;;;"Humphries PS, Lafontaine JA, Agree CS, Alexander D, Chen P, Do QQ, Li LY, Lunney EA, Rajapakse RJ, Siegel K, Timofeevski SL, Wang T, Wilhite DM.: Synthesis and SAR of 4-substituted-2-aminopyrimidines as novel c-Jun N-terminal kinase (JNK) inhibitors. Bioorg Med Chem Lett, Volume 19 (8), 2009";ChEMBL
MM476137;MM476137;CCC(C)CN1C(=O)c2ccccc2C(C(=O)O)C1c1cc2ccccc2o1;;377.44;4.84;44244518;;;CHEMBL485328;CACO;ECACO;25;0;"from A to B, <a href=https://www.ebi.ac.uk/chembl/assay_report_card/CHEMBL994688/  target=_blank>CHEMBL994688</a>";;;;;;;;;-4.92;;;;;;;;;;;;"Humphries PS, Benbow JW, Bonin PD, Boyer D, Doran SD, Frisbie RK, Piotrowski DW, Balan G, Bechle BM, Conn EL, Dirico KJ, Oliver RM, Soeller WC, Southers JA, Yang X.: Synthesis and SAR of 1,2,3,4-tetrahydroisoquinolin-1-ones as novel G-protein-coupled receptor 40 (GPR40) antagonists. Bioorg Med Chem Lett, Volume 19 (9), 2009";ChEMBL
MM476138;MM476138;COc1cccc(-c2cc(NC(C)=O)nc(-n3nc(C)cc3C)n2)c1F;MHSIRMSFRHMBDY-UHFFFAOYSA-N;355.37;3.05;25138076;;;CHEMBL486745;CACO;ECACO;25;0;"from A to B, <a href=https://www.ebi.ac.uk/chembl/assay_report_card/CHEMBL950432/  target=_blank>CHEMBL950432</a>";;;;;;;;;-4.59;;;;;;;;;;;;"Zhang X, Tellew JE, Luo Z, Moorjani M, Lin E, Lanier MC, Chen Y, Williams JP, Saunders J, Lechner SM, Markison S, Joswig T, Petroski R, Piercey J, Kargo W, Malany S, Santos M, Gross RS, Wen J, Jalali K, O'Brien Z, Stotz CE, Crespo MI, Díaz JL, Slee DH.: Lead optimization of 4-acetylamino-2-(3,5-dimethylpyrazol-1-yl)-6-pyridylpyrimidines as A2A adenosine receptor antagonists for the treatment of Parkinson's disease. J Med Chem, Volume 51 (22), 2008";ChEMBL
MM476139;MM476139;COc1cc(OC)cc(-c2cc(NC(C)=O)nc(-n3nc(C)cc3C)n2)c1;XGFRRYAZOMJDQL-UHFFFAOYSA-N;367.41;2.92;25138077;;;CHEMBL487569;CACO;ECACO;25;0;"from A to B, <a href=https://www.ebi.ac.uk/chembl/assay_report_card/CHEMBL950432/  target=_blank>CHEMBL950432</a>";;;;;;;;;-5.62;;;;;;;;;;;;"Zhang X, Tellew JE, Luo Z, Moorjani M, Lin E, Lanier MC, Chen Y, Williams JP, Saunders J, Lechner SM, Markison S, Joswig T, Petroski R, Piercey J, Kargo W, Malany S, Santos M, Gross RS, Wen J, Jalali K, O'Brien Z, Stotz CE, Crespo MI, Díaz JL, Slee DH.: Lead optimization of 4-acetylamino-2-(3,5-dimethylpyrazol-1-yl)-6-pyridylpyrimidines as A2A adenosine receptor antagonists for the treatment of Parkinson's disease. J Med Chem, Volume 51 (22), 2008";ChEMBL
MM476148;MM476148;CN1CCCN(c2cncc(-c3cccc(C=CC(=O)O)c3)n2)CC1;;338.41;2.38;24811794;;;CHEMBL493937;CACO;ECACO;25;0;"from A to B, <a href=https://www.ebi.ac.uk/chembl/assay_report_card/CHEMBL960099/  target=_blank>CHEMBL960099</a>";;;;;;;;;-5.56;;;;;;;;;;;;"Qian K, Wang L, Cywin CL, Farmer BT, Hickey E, Homon C, Jakes S, Kashem MA, Lee G, Leonard S, Li J, Magboo R, Mao W, Pack E, Peng C, Prokopowicz A, Welzel M, Wolak J, Morwick T.: Hit to lead account of the discovery of a new class of inhibitors of Pim kinases and crystallographic studies revealing an unusual kinase binding mode. J Med Chem, Volume 52 (7), 2009";ChEMBL
MM476149;MM476149;COc1cc(C(C)C)c(Oc2cnc(NC(CO)CO)nc2N)cc1I;PAYROHWFGZADBR-UHFFFAOYSA-N;474.3;2.35;24883277;;;CHEMBL494161;CACO;ECACO;25;0;"from A to B, <a href=https://www.ebi.ac.uk/chembl/assay_report_card/CHEMBL1017982/  target=_blank>CHEMBL1017982</a>";;;;;;;;;-5.03;;;;;;;;;;;;"Jahangir A, Alam M, Carter DS, Dillon MP, Bois DJ, Ford AP, Gever JR, Lin C, Wagner PJ, Zhai Y, Zira J.: Identification and SAR of novel diaminopyrimidines. Part 2: The discovery of RO-51, a potent and selective, dual P2X(3)/P2X(2/3) antagonist for the treatment of pain. Bioorg Med Chem Lett, Volume 19 (6), 2009";ChEMBL
MM476151;MM476151;Cc1ccc(C(=O)NC2CC2)cc1-c1ccc2c(NCCN3CCOCC3)nncc2c1;;431.54;3.24;25129829;;;CHEMBL494270;CACO;ECACO;25;0;"from A to B, <a href=https://www.ebi.ac.uk/chembl/assay_report_card/CHEMBL1025676/  target=_blank>CHEMBL1025676</a>";;;;;;;;;-6.52;;;;;;;;;;;;"Herberich B, Cao GQ, Chakrabarti PP, Falsey JR, Pettus L, Rzasa RM, Reed AB, Reichelt A, Sham K, Thaman M, Wurz RP, Xu S, Zhang D, Hsieh F, Lee MR, Syed R, Li V, Grosfeld D, Plant MH, Henkle B, Sherman L, Middleton S, Wong LM, Tasker AS.: Discovery of highly selective and potent p38 inhibitors based on a phthalazine scaffold. J Med Chem, Volume 51 (20), 2008";ChEMBL
MM476152;MM476152;Cc1ccc(C(=O)NC2CC2)cc1-c1ccc2c(N3CCOCC3)nncc2c1;;388.47;3.33;25129830;;;CHEMBL494272;CACO;ECACO;25;0;"from A to B, <a href=https://www.ebi.ac.uk/chembl/assay_report_card/CHEMBL1025676/  target=_blank>CHEMBL1025676</a>";;;;;;;;;-4.98;;;;;;;;;;;;"Herberich B, Cao GQ, Chakrabarti PP, Falsey JR, Pettus L, Rzasa RM, Reed AB, Reichelt A, Sham K, Thaman M, Wurz RP, Xu S, Zhang D, Hsieh F, Lee MR, Syed R, Li V, Grosfeld D, Plant MH, Henkle B, Sherman L, Middleton S, Wong LM, Tasker AS.: Discovery of highly selective and potent p38 inhibitors based on a phthalazine scaffold. J Med Chem, Volume 51 (20), 2008";ChEMBL
MM476157;MM476157;CS(=O)(=O)Nc1ccc2c(c1)S(=O)(=O)N=C(C1=C(O)C3CCCCN3N(Cc3ccc(F)cc3)C1=O)N2;UWHLIQKODYRVHR-UHFFFAOYSA-N;549.61;2.33;135923000;;;CHEMBL496325;CACO;ECACO;25;0;"from A to B, <a href=https://www.ebi.ac.uk/chembl/assay_report_card/CHEMBL953074/  target=_blank>CHEMBL953074</a>";;;;;;;;;-7;;;;;;;;;;;;"Ruebsam F, Sun Z, Ayida BK, Webber SE, Zhou Y, Zhao Q, Kissinger CR, Showalter RE, Shah AM, Tsan M, Patel R, Lebrun LA, Kamran R, Sergeeva MV, Bartkowski DM, Nolan TG, Norris DA, Kirkovsky L.: Hexahydro-pyrrolo- and hexahydro-1H-pyrido[1,2-b]pyridazin-2-ones as potent inhibitors of HCV NS5B polymerase. Bioorg Med Chem Lett, Volume 18 (18), 2008";ChEMBL
MM476158;MM476158;Cc1cc(Cn2c(=O)c(C3=CS(=O)(=O)c4ccccc4N3)c(O)c3cc(F)ccc32)ccc1F;;480.49;4.54;54735545;;;CHEMBL496600;CACO;ECACO;25;0;"from A to B, <a href=https://www.ebi.ac.uk/chembl/assay_report_card/CHEMBL1008282/  target=_blank>CHEMBL1008282</a>";;;;;;;;;-6.3;;;;;;;;;;;;"Hendricks RT, Fell JB, Blake JF, Fischer JP, Robinson JE, Spencer SR, Stengel PJ, Bernacki AL, Leveque VJ, Le Pogam S, Rajyaguru S, Najera I, Josey JA, Harris JR, Swallow S.: Non-nucleoside inhibitors of HCV NS5B polymerase. Part 1: Synthetic and computational exploration of the binding modes of benzothiadiazine and 1,4-benzothiazine HCV NS5b polymerase inhibitors. Bioorg Med Chem Lett, Volume 19 (13), 2009";ChEMBL
MM476162;MM476162;O=c1c(C2=CS(=O)(=O)c3ccccc3N2)c(O)c2cc(F)ccc2n1Cc1ccc(F)cc1;;466.47;4.23;54735542;;;CHEMBL497206;CACO;ECACO;25;0;"from A to B, <a href=https://www.ebi.ac.uk/chembl/assay_report_card/CHEMBL1008282/  target=_blank>CHEMBL1008282</a>";;;;;;;;;-6.22;;;;;;;;;;;;"Hendricks RT, Fell JB, Blake JF, Fischer JP, Robinson JE, Spencer SR, Stengel PJ, Bernacki AL, Leveque VJ, Le Pogam S, Rajyaguru S, Najera I, Josey JA, Harris JR, Swallow S.: Non-nucleoside inhibitors of HCV NS5B polymerase. Part 1: Synthetic and computational exploration of the binding modes of benzothiadiazine and 1,4-benzothiazine HCV NS5b polymerase inhibitors. Bioorg Med Chem Lett, Volume 19 (13), 2009";ChEMBL
MM476163;MM476163;CN(c1ccc2c(c1)S(=O)(=O)N=C(C1=C(O)C3CCCN3N(CCC(C)(C)C)C1=O)N2)S(C)(=O)=O;LKFUDBIQCHYGLB-UHFFFAOYSA-N;525.65;2.07;135923014;;;CHEMBL497360;CACO;ECACO;25;0;"from A to B, <a href=https://www.ebi.ac.uk/chembl/assay_report_card/CHEMBL953074/  target=_blank>CHEMBL953074</a>";;;;;;;;;-5.7;;;;;;;;;;;;"Ruebsam F, Sun Z, Ayida BK, Webber SE, Zhou Y, Zhao Q, Kissinger CR, Showalter RE, Shah AM, Tsan M, Patel R, Lebrun LA, Kamran R, Sergeeva MV, Bartkowski DM, Nolan TG, Norris DA, Kirkovsky L.: Hexahydro-pyrrolo- and hexahydro-1H-pyrido[1,2-b]pyridazin-2-ones as potent inhibitors of HCV NS5B polymerase. Bioorg Med Chem Lett, Volume 18 (18), 2008";ChEMBL
MM476164;MM476164;CC(C)(C)CCN1C(=O)C(C2=NS(=O)(=O)c3cc(NS(C)(=O)=O)ccc3N2)=C(O)C2(C)CCCN12;ACOGLHDMMGUBOE-UHFFFAOYSA-N;525.65;2.43;135923002;;;CHEMBL497361;CACO;ECACO;25;0;"from A to B, <a href=https://www.ebi.ac.uk/chembl/assay_report_card/CHEMBL953074/  target=_blank>CHEMBL953074</a>";;;;;;;;;-6.22;;;;;;;;;;;;"Ruebsam F, Sun Z, Ayida BK, Webber SE, Zhou Y, Zhao Q, Kissinger CR, Showalter RE, Shah AM, Tsan M, Patel R, Lebrun LA, Kamran R, Sergeeva MV, Bartkowski DM, Nolan TG, Norris DA, Kirkovsky L.: Hexahydro-pyrrolo- and hexahydro-1H-pyrido[1,2-b]pyridazin-2-ones as potent inhibitors of HCV NS5B polymerase. Bioorg Med Chem Lett, Volume 18 (18), 2008";ChEMBL
MM476165;MM476165;CC(C)(C)CCN1C(=O)C(C2=NS(=O)(=O)c3cc(NS(C)(=O)=O)ccc3N2)=C(O)C2CCCCN21;BQPZAFXWOOYNCK-UHFFFAOYSA-N;525.65;2.43;135923001;;;CHEMBL497362;CACO;ECACO;25;0;"from A to B, <a href=https://www.ebi.ac.uk/chembl/assay_report_card/CHEMBL953074/  target=_blank>CHEMBL953074</a>";;;;;;;;;-6.51;;;;;;;;;;;;"Ruebsam F, Sun Z, Ayida BK, Webber SE, Zhou Y, Zhao Q, Kissinger CR, Showalter RE, Shah AM, Tsan M, Patel R, Lebrun LA, Kamran R, Sergeeva MV, Bartkowski DM, Nolan TG, Norris DA, Kirkovsky L.: Hexahydro-pyrrolo- and hexahydro-1H-pyrido[1,2-b]pyridazin-2-ones as potent inhibitors of HCV NS5B polymerase. Bioorg Med Chem Lett, Volume 18 (18), 2008";ChEMBL
MM476166;MM476166;O=c1c(C2=CS(=O)(=O)c3ccccc3N2)c(O)c2cc(F)ccc2n1CCC1CC1;;426.47;3.84;54735533;;;CHEMBL497422;CACO;ECACO;25;0;"from A to B, <a href=https://www.ebi.ac.uk/chembl/assay_report_card/CHEMBL1008282/  target=_blank>CHEMBL1008282</a>";;;;;;;;;-6.22;;;;;;;;;;;;"Hendricks RT, Fell JB, Blake JF, Fischer JP, Robinson JE, Spencer SR, Stengel PJ, Bernacki AL, Leveque VJ, Le Pogam S, Rajyaguru S, Najera I, Josey JA, Harris JR, Swallow S.: Non-nucleoside inhibitors of HCV NS5B polymerase. Part 1: Synthetic and computational exploration of the binding modes of benzothiadiazine and 1,4-benzothiazine HCV NS5b polymerase inhibitors. Bioorg Med Chem Lett, Volume 19 (13), 2009";ChEMBL
MM476167;MM476167;CC(C)(C)CCn1c(=O)c(C2=CS(=O)(=O)c3cc(NS(C)(=O)=O)ccc3N2)c(O)c2cccn21;IFOIHAHIQJSCGH-UHFFFAOYSA-N;506.61;2.81;54728266;;;CHEMBL497491;CACO;ECACO;25;0;"from A to B, <a href=https://www.ebi.ac.uk/chembl/assay_report_card/CHEMBL997017/  target=_blank>CHEMBL997017</a>";;;;;;;;;-6.52;;;;;;;;;;;;"Ellis DA, Blazel JK, Webber SE, Tran CV, Dragovich PS, Sun Z, Ruebsam F, McGuire HM, Xiang AX, Zhao J, Li LS, Zhou Y, Han Q, Kissinger CR, Showalter RE, Lardy M, Shah AM, Tsan M, Patel R, LeBrun LA, Kamran R, Bartkowski DM, Nolan TG, Norris DA, Sergeeva MV, Kirkovsky L.: 4-(1,1-Dioxo-1,4-dihydro-1lambda6-benzo[1,4]thiazin-3-yl)-5-hydroxy-2H-pyridazin-3-ones as potent inhibitors of HCV NS5B polymerase. Bioorg Med Chem Lett, Volume 18 (16), 2008";ChEMBL
MM476170;MM476170;Cc1ccc(-c2nn(Cc3ccccc3)c(=O)c(C3=CS(=O)(=O)c4ccccc4N3)c2O)s1;HFCBLGLYMIRSDK-UHFFFAOYSA-N;477.57;4.23;54728269;;;CHEMBL498308;CACO;ECACO;25;0;"from A to B, <a href=https://www.ebi.ac.uk/chembl/assay_report_card/CHEMBL997017/  target=_blank>CHEMBL997017</a>";;;;;;;;;-6.52;;;;;;;;;;;;"Ellis DA, Blazel JK, Webber SE, Tran CV, Dragovich PS, Sun Z, Ruebsam F, McGuire HM, Xiang AX, Zhao J, Li LS, Zhou Y, Han Q, Kissinger CR, Showalter RE, Lardy M, Shah AM, Tsan M, Patel R, LeBrun LA, Kamran R, Bartkowski DM, Nolan TG, Norris DA, Sergeeva MV, Kirkovsky L.: 4-(1,1-Dioxo-1,4-dihydro-1lambda6-benzo[1,4]thiazin-3-yl)-5-hydroxy-2H-pyridazin-3-ones as potent inhibitors of HCV NS5B polymerase. Bioorg Med Chem Lett, Volume 18 (16), 2008";ChEMBL
MM476171;MM476171;CS(=O)(=O)Nc1ccc2c(c1)S(=O)(=O)N=C(C1=C(O)C3CCCN3N(Cc3ccc(F)cc3)C1=O)N2;UBNPIDCXPURCPQ-UHFFFAOYSA-N;535.58;1.94;135923013;;;CHEMBL498375;CACO;ECACO;25;0;"from A to B, <a href=https://www.ebi.ac.uk/chembl/assay_report_card/CHEMBL953074/  target=_blank>CHEMBL953074</a>";;;;;;;;;-6.7;;;;;;;;;;;;"Ruebsam F, Sun Z, Ayida BK, Webber SE, Zhou Y, Zhao Q, Kissinger CR, Showalter RE, Shah AM, Tsan M, Patel R, Lebrun LA, Kamran R, Sergeeva MV, Bartkowski DM, Nolan TG, Norris DA, Kirkovsky L.: Hexahydro-pyrrolo- and hexahydro-1H-pyrido[1,2-b]pyridazin-2-ones as potent inhibitors of HCV NS5B polymerase. Bioorg Med Chem Lett, Volume 18 (18), 2008";ChEMBL
MM476172;MM476172;CC(C)(C)CCN1C(=O)C(C2=NS(=O)(=O)c3cc(NS(C)(=O)=O)ccc3N2)=C(O)C2CCCN21;;511.63;2.04;135874116;;;CHEMBL498376;CACO;ECACO;25;0;"from A to B, <a href=https://www.ebi.ac.uk/chembl/assay_report_card/CHEMBL953074/  target=_blank>CHEMBL953074</a>";;;;;;;;;-6.36;;;;;;;;;;;;"Ruebsam F, Sun Z, Ayida BK, Webber SE, Zhou Y, Zhao Q, Kissinger CR, Showalter RE, Shah AM, Tsan M, Patel R, Lebrun LA, Kamran R, Sergeeva MV, Bartkowski DM, Nolan TG, Norris DA, Kirkovsky L.: Hexahydro-pyrrolo- and hexahydro-1H-pyrido[1,2-b]pyridazin-2-ones as potent inhibitors of HCV NS5B polymerase. Bioorg Med Chem Lett, Volume 18 (18), 2008";ChEMBL
MM476172;MM476172;CC(C)(C)CCN1C(=O)C(C2=NS(=O)(=O)c3cc(NS(C)(=O)=O)ccc3N2)=C(O)C2CCCN21;;511.63;2.04;135874116;;;CHEMBL498376;CACO;ECACO;25;0;"from A to B, <a href=https://www.ebi.ac.uk/chembl/assay_report_card/CHEMBL955142/  target=_blank>CHEMBL955142</a>";;;;;;;;;-6.36;;;;;;;;;;;;"Ruebsam F, Tran CV, Li LS, Kim SH, Xiang AX, Zhou Y, Blazel JK, Sun Z, Dragovich PS, Zhao J, McGuire HM, Murphy DE, Tran MT, Stankovic N, Ellis DA, Gobbi A, Showalter RE, Webber SE, Shah AM, Tsan M, Patel RA, Lebrun LA, Hou HJ, Kamran R, Sergeeva MV, Bartkowski DM, Nolan TG, Norris DA, Kirkovsky L.: 5,6-Dihydro-1H-pyridin-2-ones as potent inhibitors of HCV NS5B polymerase. Bioorg Med Chem Lett, Volume 19 (2), 2009";ChEMBL
MM476173;MM476173;NC(=O)C(Cc1ccccc1)NC(=O)C(Cc1c[nH]c2ccccc12)NC(=O)C1CCCN1C(=O)C(Cc1ccc(O)cc1)NC(=O)CCC(=O)NC1OC(CO)C(O)C(O)C1O;MHIFIDPWHSQGON-ZKZHZIGFSA-N;871.95;-1.47;44586711;;;CHEMBL499141;CACO;ECACO;25;0;"from A to B, <a href=https://www.ebi.ac.uk/chembl/assay_report_card/CHEMBL955665/  target=_blank>CHEMBL955665</a>";;;;;;;;;-6.26;;;;;;;;;;;;"Koda Y, Del Borgo M, Wessling ST, Lazarus LH, Okada Y, Toth I, Blanchfield JT.: Synthesis and in vitro evaluation of a library of modified endomorphin 1 peptides. Bioorg Med Chem, Volume 16 (11), 2008";ChEMBL
MM476174;MM476174;COc1ccc2c(OC3CC4C(=O)NC5(C(=O)NS(=O)(=O)C6CC6)CC5C=CCCCCN(C)C(=O)C4C3)cc(-n3ccc(C(C)C)n3)nc2c1C;YOUAQFKLUWJMGK-ZEIZKYAPSA-N;732.9;4.32;44562436;;;CHEMBL499299;CACO;ECACO;25;0;"from A to B, <a href=https://www.ebi.ac.uk/chembl/assay_report_card/CHEMBL972559/  target=_blank>CHEMBL972559</a>";;;;;;;;;-4.82;;;;;;;;;;;;"Raboisson P, de Kock H, Rosenquist A, Nilsson M, Salvador-Oden L, Lin TI, Roue N, Ivanov V, Wähling H, Wickström K, Hamelink E, Edlund M, Vrang L, Vendeville S, Van de Vreken W, McGowan D, Tahri A, Hu L, Boutton C, Lenz O, Delouvroy F, Pille G, Surleraux D, Wigerinck P, Samuelsson B, Simmen K.: Structure-activity relationship study on a novel series of cyclopentane-containing macrocyclic inhibitors of the hepatitis C virus NS3/4A protease leading to the discovery of TMC435350. Bioorg Med Chem Lett, Volume 18 (17), 2008";ChEMBL
MM476176;MM476176;C=CC1CC1(NC(=O)C1CC(Oc2cc(-c3csc(NC(C)C)n3)nc3cc(OC)ccc23)CN1C(=O)C(NC(=O)OC1CCCC1)C(C)(C)C)P(=O)(O)O;BQXDWZQXORQBLV-HNFUVXBTSA-N;798.9;5.82;44545705;;;CHEMBL500759;CACO;ECACO;25;0;"from A to B, <a href=https://www.ebi.ac.uk/chembl/assay_report_card/CHEMBL1004175/  target=_blank>CHEMBL1004175</a>";;;;;;;;;-6.7;;;;;;;;;;;;"Sheng XC, Pyun HJ, Chaudhary K, Wang J, Doerffler E, Fleury M, McMurtrie D, Chen X, Delaney WE, Kim CU.: Discovery of novel phosphonate derivatives as hepatitis C virus NS3 protease inhibitors. Bioorg Med Chem Lett, Volume 19 (13), 2009";ChEMBL
MM476178;MM476178;COc1ccc2c(OC3CC4C(=O)NC5(C(=O)NS(=O)(=O)C6CC6)CC5C=CCCCCN(C)C(=O)C4C3)cc(-c3nc(C(C)C)cs3)nc2c1;SQRWDJFVRRUGCD-PEYMYBIGSA-N;735.93;4.95;11262689;;;CHEMBL501625;CACO;ECACO;25;0;"from A to B, <a href=https://www.ebi.ac.uk/chembl/assay_report_card/CHEMBL972559/  target=_blank>CHEMBL972559</a>";;;;;;;;;-4.89;;;;;;;;;;;;"Raboisson P, de Kock H, Rosenquist A, Nilsson M, Salvador-Oden L, Lin TI, Roue N, Ivanov V, Wähling H, Wickström K, Hamelink E, Edlund M, Vrang L, Vendeville S, Van de Vreken W, McGowan D, Tahri A, Hu L, Boutton C, Lenz O, Delouvroy F, Pille G, Surleraux D, Wigerinck P, Samuelsson B, Simmen K.: Structure-activity relationship study on a novel series of cyclopentane-containing macrocyclic inhibitors of the hepatitis C virus NS3/4A protease leading to the discovery of TMC435350. Bioorg Med Chem Lett, Volume 18 (17), 2008";ChEMBL
MM476180;MM476180;COc1ccc2c(OC3CC4C(=O)NC5(C(=O)NS(=O)(=O)C6CC6)CC5C=CCCCCN(C)C(=O)C4C3)cc(-c3nc(C(C)C)cs3)nc2c1C;JTZZSQYMACOLNN-VDWJNHBNSA-N;749.96;5.25;24873435;;;CHEMBL501849;CACO;ECACO;25;0;"from A to B, <a href=https://www.ebi.ac.uk/chembl/assay_report_card/CHEMBL972559/  target=_blank>CHEMBL972559</a>";;;;;;;;;-5.08;;;;;;;;;;;;"Raboisson P, de Kock H, Rosenquist A, Nilsson M, Salvador-Oden L, Lin TI, Roue N, Ivanov V, Wähling H, Wickström K, Hamelink E, Edlund M, Vrang L, Vendeville S, Van de Vreken W, McGowan D, Tahri A, Hu L, Boutton C, Lenz O, Delouvroy F, Pille G, Surleraux D, Wigerinck P, Samuelsson B, Simmen K.: Structure-activity relationship study on a novel series of cyclopentane-containing macrocyclic inhibitors of the hepatitis C virus NS3/4A protease leading to the discovery of TMC435350. Bioorg Med Chem Lett, Volume 18 (17), 2008";ChEMBL
MM476183;MM476183;Cc1nc(C(=O)N2c3cccc(O)c3NC3=C(C(=O)CC(C)(C)C3)C2c2ccc(OCc3ccccc3)cc2F)c(C)o1;CFUGIIBOYXFYRK-YTTGMZPUSA-N;581.64;7.17;42630815;;;CHEMBL502455;CACO;ECACO;25;0;"from A to B, <a href=https://www.ebi.ac.uk/chembl/assay_report_card/CHEMBL972372/  target=_blank>CHEMBL972372</a>";;;;;;;;;-4.96;;;;;;;;;;;;"McGowan D, Nyanguile O, Cummings MD, Vendeville S, Vandyck K, Van den Broeck W, Boutton CW, De Bondt H, Quirynen L, Amssoms K, Bonfanti JF, Last S, Rombauts K, Tahri A, Hu L, Delouvroy F, Vermeiren K, Vandercruyssen G, Van der Helm L, Cleiren E, Mostmans W, Lory P, Pille G, Van Emelen K, Fanning G, Pauwels F, Lin TI, Simmen K, Raboisson P.: 1,5-Benzodiazepine inhibitors of HCV NS5B polymerase. Bioorg Med Chem Lett, Volume 19 (9), 2009";ChEMBL
MM476184;MM476184;COc1ccc2c(OC3CC4C(=O)NC5(C(=O)NS(=O)(=O)C6CC6)CC5C=CCCCCN(C)C(=O)C4C3)cc(-c3nc(C(C)C)cs3)nc2c1Cl;FSFUVODFJRFRKJ-INIBMZLISA-N;770.37;5.6;44562435;;;CHEMBL502719;CACO;ECACO;25;0;"from A to B, <a href=https://www.ebi.ac.uk/chembl/assay_report_card/CHEMBL972559/  target=_blank>CHEMBL972559</a>";;;;;;;;;-5.24;;;;;;;;;;;;"Raboisson P, de Kock H, Rosenquist A, Nilsson M, Salvador-Oden L, Lin TI, Roue N, Ivanov V, Wähling H, Wickström K, Hamelink E, Edlund M, Vrang L, Vendeville S, Van de Vreken W, McGowan D, Tahri A, Hu L, Boutton C, Lenz O, Delouvroy F, Pille G, Surleraux D, Wigerinck P, Samuelsson B, Simmen K.: Structure-activity relationship study on a novel series of cyclopentane-containing macrocyclic inhibitors of the hepatitis C virus NS3/4A protease leading to the discovery of TMC435350. Bioorg Med Chem Lett, Volume 18 (17), 2008";ChEMBL
MM476186;MM476186;CCCCCCC(NC(=O)C(Cc1ccccc1)NC(=O)C(Cc1c[nH]c2ccccc12)NC(=O)C1CCCN1C(=O)C(N)Cc1ccc(O)cc1)C(N)=O;IMYCMDVCSHAEQG-WBHZCIDJSA-N;751.93;3.13;44586712;;;CHEMBL503367;CACO;ECACO;25;0;"from A to B, <a href=https://www.ebi.ac.uk/chembl/assay_report_card/CHEMBL955665/  target=_blank>CHEMBL955665</a>";;;;;;;;;-6.08;;;;;;;;;;;;"Koda Y, Del Borgo M, Wessling ST, Lazarus LH, Okada Y, Toth I, Blanchfield JT.: Synthesis and in vitro evaluation of a library of modified endomorphin 1 peptides. Bioorg Med Chem, Volume 16 (11), 2008";ChEMBL
MM476190;MM476190;CCCCCCCCCCC(N)C(=O)NC(Cc1ccc(O)cc1)C(=O)N1CCCC1C(=O)NC(Cc1c[nH]c2ccccc12)C(=O)NC(Cc1ccccc1)C(N)=O;MDSJFGVEBDSEPI-CYZUTBKYSA-N;808.04;4.69;44586709;;;CHEMBL505960;CACO;ECACO;25;0;"from A to B, <a href=https://www.ebi.ac.uk/chembl/assay_report_card/CHEMBL955665/  target=_blank>CHEMBL955665</a>";;;;;;;;;-5.91;;;;;;;;;;;;"Koda Y, Del Borgo M, Wessling ST, Lazarus LH, Okada Y, Toth I, Blanchfield JT.: Synthesis and in vitro evaluation of a library of modified endomorphin 1 peptides. Bioorg Med Chem, Volume 16 (11), 2008";ChEMBL
MM476191;MM476191;CCCCCCCCCCC(NC(=O)C(Cc1ccccc1)NC(=O)C(Cc1c[nH]c2ccccc12)NC(=O)C1CCCN1C(=O)C(N)Cc1ccc(O)cc1)C(N)=O;GINAOTIHKQBFIF-DYHUUUSQSA-N;808.04;4.69;44586713;;;CHEMBL506223;CACO;ECACO;25;0;"from A to B, <a href=https://www.ebi.ac.uk/chembl/assay_report_card/CHEMBL955665/  target=_blank>CHEMBL955665</a>";;;;;;;;;-6.38;;;;;;;;;;;;"Koda Y, Del Borgo M, Wessling ST, Lazarus LH, Okada Y, Toth I, Blanchfield JT.: Synthesis and in vitro evaluation of a library of modified endomorphin 1 peptides. Bioorg Med Chem, Volume 16 (11), 2008";ChEMBL
MM476194;MM476194;COc1ccc2c(OC3CC4C(=O)NC5(C(=O)NS(=O)(=O)C6(C)CC6)CC5C=CCCCCCC(=O)N4C3)cc(-c3nc(C(C)C)cs3)nc2c1Cl;ZALNWWKHXDKCGG-NBDVMRGUSA-N;770.37;5.89;16062800;;;CHEMBL506682;CACO;ECACO;25;0;"from A to B, <a href=https://www.ebi.ac.uk/chembl/assay_report_card/CHEMBL952255/  target=_blank>CHEMBL952255</a>";;;;;;;;;-4.95;;;;;;;;;;;;"Raboisson P, Lin TI, Kock Hd, Vendeville S, Vreken WV, McGowan D, Tahri A, Hu L, Lenz O, Delouvroy F, Surleraux D, Wigerinck P, Nilsson M, Rosenquist S, Samuelsson B, Simmen K.: Discovery of novel potent and selective dipeptide hepatitis C virus NS3/4A serine protease inhibitors. Bioorg Med Chem Lett, Volume 18 (18), 2008";ChEMBL
MM472937;MM472937;CCCCc1ccc(C(=O)NC2(C(=O)NC(Cc3ccccc3)C(=O)NCC3CCN(CC4CCOCC4)CC3)CCCC2)cc1;FNWMFLJWSOZBPX-UUWRZZSWSA-N;630.87;5.05;44577895;;;CHEMBL507077;CACO;ECACO;25;0;"from A to B, <a href=https://www.ebi.ac.uk/chembl/assay_report_card/CHEMBL967979/  target=_blank>CHEMBL967979</a>";;;;;;;;;-5.03;;;;;;;;;;;;"Porcelloni M, D'Andrea P, Altamura M, Catalioto RM, Giuliani S, Meini S, Fattori D.: Cinnamic acids and mono-substituted benzoic acids as useful capping groups for the preparation of hNK2 receptor antagonists. Bioorg Med Chem Lett, Volume 18 (16), 2008";ChEMBL
MM476197;MM476197;COc1ccc2c(OC3CC4C(=O)NC5(C(=O)NS(=O)(=O)C6CC6)CC5C=CCCCCN(C)C(=O)C4C3)cc(-c3nccs3)nc2c1;UPCUFWLSYBBVRL-XFWJKKJESA-N;693.85;3.82;44562432;;;CHEMBL507228;CACO;ECACO;25;0;"from A to B, <a href=https://www.ebi.ac.uk/chembl/assay_report_card/CHEMBL972559/  target=_blank>CHEMBL972559</a>";;;;;;;;;-5.8;;;;;;;;;;;;"Raboisson P, de Kock H, Rosenquist A, Nilsson M, Salvador-Oden L, Lin TI, Roue N, Ivanov V, Wähling H, Wickström K, Hamelink E, Edlund M, Vrang L, Vendeville S, Van de Vreken W, McGowan D, Tahri A, Hu L, Boutton C, Lenz O, Delouvroy F, Pille G, Surleraux D, Wigerinck P, Samuelsson B, Simmen K.: Structure-activity relationship study on a novel series of cyclopentane-containing macrocyclic inhibitors of the hepatitis C virus NS3/4A protease leading to the discovery of TMC435350. Bioorg Med Chem Lett, Volume 18 (17), 2008";ChEMBL
MM476198;MM476198;O=C(C=Cc1ccccc1Cl)NC1(C(=O)NC(Cc2ccccc2)C(=O)NCC2CCN(CC3CCOCC3)CC2)CCCC1;CUBUOUCVDQTAQY-JWJPGYJNSA-N;635.25;4.76;44577900;;;CHEMBL507334;CACO;ECACO;25;0;"from A to B, <a href=https://www.ebi.ac.uk/chembl/assay_report_card/CHEMBL967979/  target=_blank>CHEMBL967979</a>";;;;;;;;;-6;;;;;;;;;;;;"Porcelloni M, D'Andrea P, Altamura M, Catalioto RM, Giuliani S, Meini S, Fattori D.: Cinnamic acids and mono-substituted benzoic acids as useful capping groups for the preparation of hNK2 receptor antagonists. Bioorg Med Chem Lett, Volume 18 (16), 2008";ChEMBL
MM476200;MM476200;Cc1cccc(C(=O)N2c3cccc(O)c3NC3=C(C(=O)CC(C)(C)C3)C2c2ccc(OCc3ccccc3)cc2F)n1;QIRFXOXAHTWAEQ-XIFFEERXSA-N;577.66;7.27;42630814;;;CHEMBL507519;CACO;ECACO;25;0;"from A to B, <a href=https://www.ebi.ac.uk/chembl/assay_report_card/CHEMBL972372/  target=_blank>CHEMBL972372</a>";;;;;;;;;-4.94;;;;;;;;;;;;"McGowan D, Nyanguile O, Cummings MD, Vendeville S, Vandyck K, Van den Broeck W, Boutton CW, De Bondt H, Quirynen L, Amssoms K, Bonfanti JF, Last S, Rombauts K, Tahri A, Hu L, Delouvroy F, Vermeiren K, Vandercruyssen G, Van der Helm L, Cleiren E, Mostmans W, Lory P, Pille G, Van Emelen K, Fanning G, Pauwels F, Lin TI, Simmen K, Raboisson P.: 1,5-Benzodiazepine inhibitors of HCV NS5B polymerase. Bioorg Med Chem Lett, Volume 19 (9), 2009";ChEMBL
MM476201;MM476201;C=CCN(Cc1nccs1)C(=O)[C@@]1(c2cccs2)C[C@H]1CN;JOHKRZVJVWMMNT-LRDDRELGSA-N;333.48;2.64;;;;;CACO;ECACO;25;0;"from A to B, <a href=https://www.ebi.ac.uk/chembl/assay_report_card/CHEMBL948483/  target=_blank>CHEMBL948483</a>";;;;;;;;;-5.19;;;;;;;;;;;;"Dyck B, Tamiya J, Jovic F, Pick RR, Bradbury MJ, O'Brien J, Wen J, Johns M, Madan A, Fleck BA, Foster AC, Li B, Zhang M, Tran JA, Vickers T, Grey J, Saunders J, Chen C.: Characterization of thien-2-yl 1S,2R-milnacipran analogues as potent norepinephrine/serotonin transporter inhibitors for the treatment of neuropathic pain. J Med Chem, Volume 51 (22), 2008";ChEMBL
MM476202;MM476202;COc1ccc2c(OC3CC4C(=O)NC5(C(=O)NS(=O)(=O)C6CC6)CC5C=CCCCCN(C)C(=O)C4C3)cc(-c3cccc(C(C)C)n3)nc2c1C;QHRCGENNUXALBT-GNZLCGGJSA-N;743.93;5.19;44562437;;;CHEMBL507892;CACO;ECACO;25;0;"from A to B, <a href=https://www.ebi.ac.uk/chembl/assay_report_card/CHEMBL972559/  target=_blank>CHEMBL972559</a>";;;;;;;;;-4.92;;;;;;;;;;;;"Raboisson P, de Kock H, Rosenquist A, Nilsson M, Salvador-Oden L, Lin TI, Roue N, Ivanov V, Wähling H, Wickström K, Hamelink E, Edlund M, Vrang L, Vendeville S, Van de Vreken W, McGowan D, Tahri A, Hu L, Boutton C, Lenz O, Delouvroy F, Pille G, Surleraux D, Wigerinck P, Samuelsson B, Simmen K.: Structure-activity relationship study on a novel series of cyclopentane-containing macrocyclic inhibitors of the hepatitis C virus NS3/4A protease leading to the discovery of TMC435350. Bioorg Med Chem Lett, Volume 18 (17), 2008";ChEMBL
MM476205;MM476205;Cc1c(-c2cccc(OCCCCC(=O)O)c2F)c(=O)n(CC(c2ccccc2)N(C)C)c(=O)n1Cc1c(F)cccc1C(F)(F)F;NSBUNJVFFBYJER-MHZLTWQESA-N;659.65;6.27;44587398;;;CHEMBL509267;CACO;ECACO;25;0;"from A to B, <a href=https://www.ebi.ac.uk/chembl/assay_report_card/CHEMBL995205/  target=_blank>CHEMBL995205</a>";;;;;;;;;-4.77;;;;;;;;;;;;"Regan CF, Guo Z, Chen Y, Huang CQ, Chen M, Jiang W, Rueter JK, Coon T, Chen C, Saunders J, Brown MS, Betz SF, Struthers RS, Yang C, Wen J, Madan A, Zhu YF.: Zwitterionic uracil derivatives as potent GnRH receptor antagonists with improved pharmaceutical properties. Bioorg Med Chem Lett, Volume 18 (16), 2008";ChEMBL
MM476207;MM476207;CNCC1(c2ccc(N3CCC4C(S(C)(=O)=O)=NN(c5ccc(OC)cc5)C4C3=O)cc2)CC1;QEGUWDCBAMUNMT-UHFFFAOYSA-N;482.61;2.55;;;;;CACO;ECACO;25;0;"from A to B, <a href=https://www.ebi.ac.uk/chembl/assay_report_card/CHEMBL1010166/  target=_blank>CHEMBL1010166</a>";;;;;;;;;-7;;;;;;;;;;;;"Qiao JX, King SR, He K, Wong PC, Rendina AR, Luettgen JM, Xin B, Knabb RM, Wexler RR, Lam PY.: Highly efficacious factor Xa inhibitors containing alpha-substituted phenylcycloalkyl P4 moieties. Bioorg Med Chem Lett, Volume 19 (2), 2009";ChEMBL
MM476208;MM476208;C=CCN(CC=C)C(=O)[C@@]1(c2cccs2)C[C@H]1CN;XCOOHOIRZJLJRQ-WFASDCNBSA-N;276.41;2.17;;;;;CACO;ECACO;25;0;"from A to B, <a href=https://www.ebi.ac.uk/chembl/assay_report_card/CHEMBL948483/  target=_blank>CHEMBL948483</a>";;;;;;;;;-4.78;;;;;;;;;;;;"Dyck B, Tamiya J, Jovic F, Pick RR, Bradbury MJ, O'Brien J, Wen J, Johns M, Madan A, Fleck BA, Foster AC, Li B, Zhang M, Tran JA, Vickers T, Grey J, Saunders J, Chen C.: Characterization of thien-2-yl 1S,2R-milnacipran analogues as potent norepinephrine/serotonin transporter inhibitors for the treatment of neuropathic pain. J Med Chem, Volume 51 (22), 2008";ChEMBL
MM476209;MM476209;O=C(CO)Nc1ccc2c(=O)n(Cc3ccc(Cl)c(Cl)c3)cnc2c1;;378.22;2.68;25158717;;;CHEMBL512969;CACO;ECACO;25;0;"from A to B, <a href=https://www.ebi.ac.uk/chembl/assay_report_card/CHEMBL1015824/  target=_blank>CHEMBL1015824</a>";;;;;;;;;-4.48;;;;;;;;;;;;"Koltun DO, Vasilevich NI, Parkhill EQ, Glushkov AI, Zilbershtein TM, Mayboroda EI, Boze MA, Cole AG, Henderson I, Zautke NA, Brunn SA, Chu N, Hao J, Mollova N, Leung K, Chisholm JW, Zablocki J.: Orally bioavailable, liver-selective stearoyl-CoA desaturase (SCD) inhibitors. Bioorg Med Chem Lett, Volume 19 (11), 2009";ChEMBL
MM476210;MM476210;C#CCN(CC#C)C(=O)[C@@]1(c2cccs2)C[C@H]1CN;DDNDQTODRFYZEU-WFASDCNBSA-N;272.37;1.06;;;;;CACO;ECACO;25;0;"from A to B, <a href=https://www.ebi.ac.uk/chembl/assay_report_card/CHEMBL948483/  target=_blank>CHEMBL948483</a>";;;;;;;;;-4.6;;;;;;;;;;;;"Dyck B, Tamiya J, Jovic F, Pick RR, Bradbury MJ, O'Brien J, Wen J, Johns M, Madan A, Fleck BA, Foster AC, Li B, Zhang M, Tran JA, Vickers T, Grey J, Saunders J, Chen C.: Characterization of thien-2-yl 1S,2R-milnacipran analogues as potent norepinephrine/serotonin transporter inhibitors for the treatment of neuropathic pain. J Med Chem, Volume 51 (22), 2008";ChEMBL
MM476211;MM476211;CC(C)CCN1C(=O)C(C2=NS(=O)(=O)c3cc(NS(C)(=O)=O)ccc3N2)=C(O)C2CCCC21;WNJBKXXSMIADKQ-UHFFFAOYSA-N;496.61;2.44;135955932;;;CHEMBL514229;CACO;ECACO;25;0;"from A to B, <a href=https://www.ebi.ac.uk/chembl/assay_report_card/CHEMBL955142/  target=_blank>CHEMBL955142</a>";;;;;;;;;-5.48;;;;;;;;;;;;"Ruebsam F, Tran CV, Li LS, Kim SH, Xiang AX, Zhou Y, Blazel JK, Sun Z, Dragovich PS, Zhao J, McGuire HM, Murphy DE, Tran MT, Stankovic N, Ellis DA, Gobbi A, Showalter RE, Webber SE, Shah AM, Tsan M, Patel RA, Lebrun LA, Hou HJ, Kamran R, Sergeeva MV, Bartkowski DM, Nolan TG, Norris DA, Kirkovsky L.: 5,6-Dihydro-1H-pyridin-2-ones as potent inhibitors of HCV NS5B polymerase. Bioorg Med Chem Lett, Volume 19 (2), 2009";ChEMBL
MM476213;MM476213;CCC(C)C(N)C(=O)OCC1OC(n2cnc3c(N)ncnc32)C(O)C1O;CAROJMQVDXUOOR-QETZTWOHSA-N;380.41;-1.06;11689431;;;CHEMBL515278;CACO;ECACO;25;0;"from A to B, <a href=https://www.ebi.ac.uk/chembl/assay_report_card/CHEMBL942586/  target=_blank>CHEMBL942586</a>";;;;;;;;;-5.99;;;;;;;;;;;;"Shen W, Kim JS, Kish PE, Zhang J, Mitchell S, Gentry BG, Breitenbach JM, Drach JC, Hilfinger J.: Design and synthesis of vidarabine prodrugs as antiviral agents. Bioorg Med Chem Lett, Volume 19 (3), 2009";ChEMBL
MM476214;MM476214;CS(=O)(=O)Nc1ccc2c(c1)S(=O)(=O)N=C(C1=C(O)[C@@H]3CCCC[C@@H]3N(Cc3ccc(F)cc3)C1=O)N2;KMSYAEIZBCDWRW-MJGOQNOKSA-N;548.62;3.12;;;;;CACO;ECACO;25;0;"from A to B, <a href=https://www.ebi.ac.uk/chembl/assay_report_card/CHEMBL955142/  target=_blank>CHEMBL955142</a>";;;;;;;;;-6;;;;;;;;;;;;"Ruebsam F, Tran CV, Li LS, Kim SH, Xiang AX, Zhou Y, Blazel JK, Sun Z, Dragovich PS, Zhao J, McGuire HM, Murphy DE, Tran MT, Stankovic N, Ellis DA, Gobbi A, Showalter RE, Webber SE, Shah AM, Tsan M, Patel RA, Lebrun LA, Hou HJ, Kamran R, Sergeeva MV, Bartkowski DM, Nolan TG, Norris DA, Kirkovsky L.: 5,6-Dihydro-1H-pyridin-2-ones as potent inhibitors of HCV NS5B polymerase. Bioorg Med Chem Lett, Volume 19 (2), 2009";ChEMBL
MM476216;MM476216;CC(C)CCN1C(=O)C(C2=NS(=O)(=O)c3cc(NS(C)(=O)=O)ccc3N2)=C(O)C2CCCCC21;VDOHZTYEUXWZCP-UHFFFAOYSA-N;510.64;2.83;135955948;;;CHEMBL516253;CACO;ECACO;25;0;"from A to B, <a href=https://www.ebi.ac.uk/chembl/assay_report_card/CHEMBL955142/  target=_blank>CHEMBL955142</a>";;;;;;;;;-5.51;;;;;;;;;;;;"Ruebsam F, Tran CV, Li LS, Kim SH, Xiang AX, Zhou Y, Blazel JK, Sun Z, Dragovich PS, Zhao J, McGuire HM, Murphy DE, Tran MT, Stankovic N, Ellis DA, Gobbi A, Showalter RE, Webber SE, Shah AM, Tsan M, Patel RA, Lebrun LA, Hou HJ, Kamran R, Sergeeva MV, Bartkowski DM, Nolan TG, Norris DA, Kirkovsky L.: 5,6-Dihydro-1H-pyridin-2-ones as potent inhibitors of HCV NS5B polymerase. Bioorg Med Chem Lett, Volume 19 (2), 2009";ChEMBL
MM476217;MM476217;CNCC1(c2ccc(N3CCc4c(C#N)nn(-c5ccc(OC)cc5)c4C3=O)cc2)CC1;BDUIPRZETCZQER-UHFFFAOYSA-N;427.51;3.21;;;;;CACO;ECACO;25;0;"from A to B, <a href=https://www.ebi.ac.uk/chembl/assay_report_card/CHEMBL1010166/  target=_blank>CHEMBL1010166</a>";;;;;;;;;-6.22;;;;;;;;;;;;"Qiao JX, King SR, He K, Wong PC, Rendina AR, Luettgen JM, Xin B, Knabb RM, Wexler RR, Lam PY.: Highly efficacious factor Xa inhibitors containing alpha-substituted phenylcycloalkyl P4 moieties. Bioorg Med Chem Lett, Volume 19 (2), 2009";ChEMBL
MM476227;MM476227;CC(C)CCn1c(=O)c(C2=CS(=O)(=O)c3cc(NS(C)(=O)=O)ccc3N2)c(O)c2cccn21;LLRZXFYVJFNKSK-UHFFFAOYSA-N;492.58;2.42;54728267;;;CHEMBL524461;CACO;ECACO;25;0;"from A to B, <a href=https://www.ebi.ac.uk/chembl/assay_report_card/CHEMBL997017/  target=_blank>CHEMBL997017</a>";;;;;;;;;-7.57;;;;;;;;;;;;"Ellis DA, Blazel JK, Webber SE, Tran CV, Dragovich PS, Sun Z, Ruebsam F, McGuire HM, Xiang AX, Zhao J, Li LS, Zhou Y, Han Q, Kissinger CR, Showalter RE, Lardy M, Shah AM, Tsan M, Patel R, LeBrun LA, Kamran R, Bartkowski DM, Nolan TG, Norris DA, Sergeeva MV, Kirkovsky L.: 4-(1,1-Dioxo-1,4-dihydro-1lambda6-benzo[1,4]thiazin-3-yl)-5-hydroxy-2H-pyridazin-3-ones as potent inhibitors of HCV NS5B polymerase. Bioorg Med Chem Lett, Volume 18 (16), 2008";ChEMBL
MM476228;MM476228;CC(C)CCN1C(=O)C(C2=NS(=O)(=O)c3cc(NS(C)(=O)=O)ccc3N2)=C(O)C2CCCN21;WVYWJPVQLJUDGR-UHFFFAOYSA-N;497.6;1.65;135813053;;;CHEMBL525553;CACO;ECACO;25;0;"from A to B, <a href=https://www.ebi.ac.uk/chembl/assay_report_card/CHEMBL953074/  target=_blank>CHEMBL953074</a>";;;;;;;;;-6.7;;;;;;;;;;;;"Ruebsam F, Sun Z, Ayida BK, Webber SE, Zhou Y, Zhao Q, Kissinger CR, Showalter RE, Shah AM, Tsan M, Patel R, Lebrun LA, Kamran R, Sergeeva MV, Bartkowski DM, Nolan TG, Norris DA, Kirkovsky L.: Hexahydro-pyrrolo- and hexahydro-1H-pyrido[1,2-b]pyridazin-2-ones as potent inhibitors of HCV NS5B polymerase. Bioorg Med Chem Lett, Volume 18 (18), 2008";ChEMBL
MM476229;MM476229;CC(C)CCn1c(=O)c(C2=CS(=O)(=O)c3cc(N(C)S(C)(=O)=O)ccc3N2)c(O)c2cccn21;GJFKHZTVVWBWPS-UHFFFAOYSA-N;506.61;2.45;54728268;;;CHEMBL525739;CACO;ECACO;25;0;"from A to B, <a href=https://www.ebi.ac.uk/chembl/assay_report_card/CHEMBL997017/  target=_blank>CHEMBL997017</a>";;;;;;;;;-7.92;;;;;;;;;;;;"Ellis DA, Blazel JK, Webber SE, Tran CV, Dragovich PS, Sun Z, Ruebsam F, McGuire HM, Xiang AX, Zhao J, Li LS, Zhou Y, Han Q, Kissinger CR, Showalter RE, Lardy M, Shah AM, Tsan M, Patel R, LeBrun LA, Kamran R, Bartkowski DM, Nolan TG, Norris DA, Sergeeva MV, Kirkovsky L.: 4-(1,1-Dioxo-1,4-dihydro-1lambda6-benzo[1,4]thiazin-3-yl)-5-hydroxy-2H-pyridazin-3-ones as potent inhibitors of HCV NS5B polymerase. Bioorg Med Chem Lett, Volume 18 (16), 2008";ChEMBL
MM476230;MM476230;COc1ccc2c(OC3CC4C(=O)NC5(C(=O)NS(=O)(=O)C6CC6)CC5C=CCCCCN(C)C(=O)C4C3)cc(-c3csc(NC(C)C)n3)nc2c1;VYSDFYMUIDAAMX-PEYMYBIGSA-N;750.94;4.64;11158493;;;CHEMBL525983;CACO;ECACO;25;0;"from A to B, <a href=https://www.ebi.ac.uk/chembl/assay_report_card/CHEMBL972559/  target=_blank>CHEMBL972559</a>";;;;;;;;;-5.85;;;;;;;;;;;;"Raboisson P, de Kock H, Rosenquist A, Nilsson M, Salvador-Oden L, Lin TI, Roue N, Ivanov V, Wähling H, Wickström K, Hamelink E, Edlund M, Vrang L, Vendeville S, Van de Vreken W, McGowan D, Tahri A, Hu L, Boutton C, Lenz O, Delouvroy F, Pille G, Surleraux D, Wigerinck P, Samuelsson B, Simmen K.: Structure-activity relationship study on a novel series of cyclopentane-containing macrocyclic inhibitors of the hepatitis C virus NS3/4A protease leading to the discovery of TMC435350. Bioorg Med Chem Lett, Volume 18 (17), 2008";ChEMBL
MM476231;MM476231;CCCCCCC(NC(=O)C(Cc1ccccc1)NC(=O)C(Cc1c[nH]c2ccccc12)NC(=O)C1CCCN1C(=O)C(Cc1ccc(O)cc1)NC(=O)CCC(=O)NC1OC(CO)C(O)C(O)C1O)C(N)=O;JXJMDWKQIQPIMH-YEOAHIMYSA-N;1013.16;-0.02;44586716;;;CHEMBL526349;CACO;ECACO;25;0;"from A to B, <a href=https://www.ebi.ac.uk/chembl/assay_report_card/CHEMBL955665/  target=_blank>CHEMBL955665</a>";;;;;;;;;-5.94;;;;;;;;;;;;"Koda Y, Del Borgo M, Wessling ST, Lazarus LH, Okada Y, Toth I, Blanchfield JT.: Synthesis and in vitro evaluation of a library of modified endomorphin 1 peptides. Bioorg Med Chem, Volume 16 (11), 2008";ChEMBL
MM476232;MM476232;CN(Cc1cccc2c1S(=O)(=O)N=C2C1=C(O)C(C(C)(C)C)N(Cc2ccc(F)c(Cl)c2)C1=O)S(C)(=O)=O;;584.09;3.63;135874106;;;CHEMBL528770;CACO;ECACO;25;0;"from A to B, <a href=https://www.ebi.ac.uk/chembl/assay_report_card/CHEMBL945416/  target=_blank>CHEMBL945416</a>";;;;;;;;;-6.7;;;;;;;;;;;;"Kim SH, Tran MT, Ruebsam F, Xiang AX, Ayida B, McGuire H, Ellis D, Blazel J, Tran CV, Murphy DE, Webber SE, Zhou Y, Shah AM, Tsan M, Showalter RE, Patel R, Gobbi A, LeBrun LA, Bartkowski DM, Nolan TG, Norris DA, Sergeeva MV, Kirkovsky L, Zhao Q, Han Q, Kissinger CR.: Structure-based design, synthesis, and biological evaluation of 1,1-dioxoisothiazole and benzo[b]thiophene-1,1-dioxide derivatives as novel inhibitors of hepatitis C virus NS5B polymerase. Bioorg Med Chem Lett, Volume 18 (14), 2008";ChEMBL
1-Cyclohexyl-4-[3-(5-methoxy-1,2,3,4-tetrahydronaphthalen-1-yl)propyl]piperazine;MM18286;COc1cccc2c1CCCC2CCCN1CCN(C2CCCCC2)CC1;PHRCDWVPTULQMT-UHFFFAOYSA-N;370.58;4.85;10474335;;;CHEMBL53325;CACO;ECACO;25;0;"from A to B, <a href=https://www.ebi.ac.uk/chembl/assay_report_card/CHEMBL921232/  target=_blank>CHEMBL921232</a>";;;;;;;;;-3.6;;;;;;;;;;;;"Colabufo NA, Berardi F, Cantore M, Perrone MG, Contino M, Inglese C, Niso M, Perrone R, Azzariti A, Simone GM, Porcelli L, Paradiso A.: Small P-gp modulating molecules: SAR studies on tetrahydroisoquinoline derivatives. Bioorg Med Chem, Volume 16 (1), 2008";ChEMBL
MM476248;MM476248;CN(CC1CCCN1C(=O)CC(N)Cc1cc(F)c(F)cc1F)C(=O)C(C)(C)C;;413.48;2.86;45271813;;;CHEMBL550321;CACO;ECACO;25;0;"from A to B, <a href=https://www.ebi.ac.uk/chembl/assay_report_card/CHEMBL1060843/  target=_blank>CHEMBL1060843</a>";;;;;;;;;-5.07;;;;;;;;;;;;"Nordhoff S, López-Canet M, Hoffmann-Enger B, Bulat S, Cerezo-Gálvez S, Hill O, Rosenbaum C, Rummey C, Thiemann M, Matassa VG, Edwards PJ, Feurer A.: From lead to preclinical candidate: optimization of beta-homophenylalanine based inhibitors of dipeptidyl peptidase IV. Bioorg Med Chem Lett, Volume 19 (16), 2009";ChEMBL
MM476252;MM476252;Cn1c(C2=CCN(CCCN3c4ccccc4Sc4ccc(CC(=O)O)cc43)CC2)cc(=O)n(C)c1=O;SSIZXVUYAOUIQY-UHFFFAOYSA-N;518.64;3.49;45269933;;;CHEMBL551394;CACO;ECACO;25;0;"from A to B, <a href=https://www.ebi.ac.uk/chembl/assay_report_card/CHEMBL1059634/  target=_blank>CHEMBL1059634</a>";;;;;;;;;-5.33;;;;;;;;;;;;"Kubota K, Kurebayashi H, Miyachi H, Tobe M, Onishi M, Isobe Y.: Synthesis and structure-activity relationships of phenothiazine carboxylic acids having pyrimidine-dione as novel histamine H(1) antagonists. Bioorg Med Chem Lett, Volume 19 (10), 2009";ChEMBL
MM476253;MM476253;Cn1c(N2CCN(CCCN3c4ccccc4Sc4ccc(C(=O)O)cc43)CC2)cc(=O)n(C)c1=O;PPLDJNZKOFVZGW-UHFFFAOYSA-N;507.62;2.6;45270750;;;CHEMBL551457;CACO;ECACO;25;0;"from A to B, <a href=https://www.ebi.ac.uk/chembl/assay_report_card/CHEMBL1059634/  target=_blank>CHEMBL1059634</a>";;;;;;;;;-5;;;;;;;;;;;;"Kubota K, Kurebayashi H, Miyachi H, Tobe M, Onishi M, Isobe Y.: Synthesis and structure-activity relationships of phenothiazine carboxylic acids having pyrimidine-dione as novel histamine H(1) antagonists. Bioorg Med Chem Lett, Volume 19 (10), 2009";ChEMBL
MM476257;MM476257;Cn1c(N2CCN(CCCCN3c4ccccc4Sc4ccc(C(=O)O)cc43)CC2)cc(=O)n(C)c1=O;UQAJLTTZWHXNJH-UHFFFAOYSA-N;521.64;2.99;45270753;;;CHEMBL552057;CACO;ECACO;25;0;"from A to B, <a href=https://www.ebi.ac.uk/chembl/assay_report_card/CHEMBL1059634/  target=_blank>CHEMBL1059634</a>";;;;;;;;;-4.69;;;;;;;;;;;;"Kubota K, Kurebayashi H, Miyachi H, Tobe M, Onishi M, Isobe Y.: Synthesis and structure-activity relationships of phenothiazine carboxylic acids having pyrimidine-dione as novel histamine H(1) antagonists. Bioorg Med Chem Lett, Volume 19 (10), 2009";ChEMBL
MM476258;MM476258;NC(CC(=O)N1CCCC1CNC(=O)C1(C(F)(F)F)CC1)Cc1cc(F)c(F)cc1F;;451.41;2.81;45270958;;;CHEMBL552069;CACO;ECACO;25;0;"from A to B, <a href=https://www.ebi.ac.uk/chembl/assay_report_card/CHEMBL1060843/  target=_blank>CHEMBL1060843</a>";;;;;;;;;-5.24;;;;;;;;;;;;"Nordhoff S, López-Canet M, Hoffmann-Enger B, Bulat S, Cerezo-Gálvez S, Hill O, Rosenbaum C, Rummey C, Thiemann M, Matassa VG, Edwards PJ, Feurer A.: From lead to preclinical candidate: optimization of beta-homophenylalanine based inhibitors of dipeptidyl peptidase IV. Bioorg Med Chem Lett, Volume 19 (16), 2009";ChEMBL
MM476259;MM476259;CN(CC1CCCN1C(=O)CC(N)Cc1cc(F)c(F)cc1F)c1ccc(C#N)cn1;;431.46;2.76;45271791;;;CHEMBL552127;CACO;ECACO;25;0;"from A to B, <a href=https://www.ebi.ac.uk/chembl/assay_report_card/CHEMBL1060843/  target=_blank>CHEMBL1060843</a>";;;;;;;;;-4.72;;;;;;;;;;;;"Nordhoff S, López-Canet M, Hoffmann-Enger B, Bulat S, Cerezo-Gálvez S, Hill O, Rosenbaum C, Rummey C, Thiemann M, Matassa VG, Edwards PJ, Feurer A.: From lead to preclinical candidate: optimization of beta-homophenylalanine based inhibitors of dipeptidyl peptidase IV. Bioorg Med Chem Lett, Volume 19 (16), 2009";ChEMBL
MM474839;MM474839;O=C(c1ccccc1C(F)(F)F)N(CC1CCC1)[C@H]1CCNC1;;326.36;3.31;;;;CHEMBL552338;CACO;ECACO;25;0;"from A to B, <a href=https://www.ebi.ac.uk/chembl/assay_report_card/CHEMBL1062505/  target=_blank>CHEMBL1062505</a>";;;;;;;;;-4.8;;;;;;;;;;;;"Fish PV, Wakenhut F, Ryckmans T, Stobie A.: Design, synthesis and evaluation of N-[(3S)-pyrrolidin-3-yl]benzamides as selective noradrenaline reuptake inhibitors: CNS penetration in a more polar template. Bioorg Med Chem Lett, Volume 19 (16), 2009";ChEMBL
MM476261;MM476261;NS(=O)(=O)c1cccc(CN(c2ccc3[nH]ccc3c2)C2CCNCC2)c1;;384.51;2.57;44466345;;;CHEMBL552341;CACO;ECACO;25;0;"from A to B, <a href=https://www.ebi.ac.uk/chembl/assay_report_card/CHEMBL1051054/  target=_blank>CHEMBL1051054</a>";;;;;;;;;-6.15;;;;;;;;;;;;"Lucas MC, Carter DS, Cai HY, Lee EK, Schoenfeld RC, Steiner S, Villa M, Weikert RJ, Iyer PS.: Novel, achiral aminoheterocycles as selective monoamine reuptake inhibitors. Bioorg Med Chem Lett, Volume 19 (16), 2009";ChEMBL
MM476263;MM476263;Cn1ccc2cc(N(Cc3ccccc3)C3CCNCC3)ccc21;;319.45;3.94;44467177;;;CHEMBL552938;CACO;ECACO;25;0;"from A to B, <a href=https://www.ebi.ac.uk/chembl/assay_report_card/CHEMBL1051054/  target=_blank>CHEMBL1051054</a>";;;;;;;;;-5.15;;;;;;;;;;;;"Lucas MC, Carter DS, Cai HY, Lee EK, Schoenfeld RC, Steiner S, Villa M, Weikert RJ, Iyer PS.: Novel, achiral aminoheterocycles as selective monoamine reuptake inhibitors. Bioorg Med Chem Lett, Volume 19 (16), 2009";ChEMBL
MM476272;MM476272;c1ccc(CN(c2ccc3sccc3c2)C2CCNCC2)cc1;;322.48;4.66;44467960;;;CHEMBL556714;CACO;ECACO;25;0;"from A to B, <a href=https://www.ebi.ac.uk/chembl/assay_report_card/CHEMBL1051054/  target=_blank>CHEMBL1051054</a>";;;;;;;;;-5.85;;;;;;;;;;;;"Lucas MC, Carter DS, Cai HY, Lee EK, Schoenfeld RC, Steiner S, Villa M, Weikert RJ, Iyer PS.: Novel, achiral aminoheterocycles as selective monoamine reuptake inhibitors. Bioorg Med Chem Lett, Volume 19 (16), 2009";ChEMBL
MM472524;MM472524;COc1cccc(C(=O)NN(C(=O)c2cc(C)cc(C)c2)C(C)(C)C)c1C;;368.48;4.21;;;;CHEMBL55772;CACO;ECACO;25;0;"from A to B, <a href=https://www.ebi.ac.uk/chembl/assay_report_card/CHEMBL905616/  target=_blank>CHEMBL905616</a>";;;;;;;;;-4.33;;;;;;;;;;;;"Fujikawa M, Nakao K, Shimizu R, Akamatsu M.: QSAR study on permeability of hydrophobic compounds with artificial membranes. Bioorg Med Chem, Volume 15 (11), 3756-3767, 2007";ChEMBL
MM476275;MM476275;CC(C)(C)C(=O)NCC1CCCN1C(=O)CC(N)Cc1cc(F)c(F)cc1F;;399.46;2.52;45273602;;;CHEMBL558322;CACO;ECACO;25;0;"from A to B, <a href=https://www.ebi.ac.uk/chembl/assay_report_card/CHEMBL1060843/  target=_blank>CHEMBL1060843</a>";;;;;;;;;-5.85;;;;;;;;;;;;"Nordhoff S, López-Canet M, Hoffmann-Enger B, Bulat S, Cerezo-Gálvez S, Hill O, Rosenbaum C, Rummey C, Thiemann M, Matassa VG, Edwards PJ, Feurer A.: From lead to preclinical candidate: optimization of beta-homophenylalanine based inhibitors of dipeptidyl peptidase IV. Bioorg Med Chem Lett, Volume 19 (16), 2009";ChEMBL
MM476276;MM476276;CC(C)(F)C(=O)NCC1CCCN1C(=O)CC(N)Cc1cc(F)c(F)cc1F;;403.42;2.22;45101722;;;CHEMBL558323;CACO;ECACO;25;0;"from A to B, <a href=https://www.ebi.ac.uk/chembl/assay_report_card/CHEMBL1060843/  target=_blank>CHEMBL1060843</a>";;;;;;;;;-5.72;;;;;;;;;;;;"Nordhoff S, López-Canet M, Hoffmann-Enger B, Bulat S, Cerezo-Gálvez S, Hill O, Rosenbaum C, Rummey C, Thiemann M, Matassa VG, Edwards PJ, Feurer A.: From lead to preclinical candidate: optimization of beta-homophenylalanine based inhibitors of dipeptidyl peptidase IV. Bioorg Med Chem Lett, Volume 19 (16), 2009";ChEMBL
MM476277;MM476277;CN(CC1CCCN1C(=O)CC(N)Cc1cc(F)c(F)cc1F)S(=O)(=O)C(F)(F)F;;461.43;2.14;45272682;;;CHEMBL558452;CACO;ECACO;25;0;"from A to B, <a href=https://www.ebi.ac.uk/chembl/assay_report_card/CHEMBL1060843/  target=_blank>CHEMBL1060843</a>";;;;;;;;;-4.39;;;;;;;;;;;;"Nordhoff S, López-Canet M, Hoffmann-Enger B, Bulat S, Cerezo-Gálvez S, Hill O, Rosenbaum C, Rummey C, Thiemann M, Matassa VG, Edwards PJ, Feurer A.: From lead to preclinical candidate: optimization of beta-homophenylalanine based inhibitors of dipeptidyl peptidase IV. Bioorg Med Chem Lett, Volume 19 (16), 2009";ChEMBL
MM476283;MM476283;CS(=O)(=O)NCC1CCCN1C(=O)CC(N)Cc1cc(F)c(F)cc1F;;393.43;0.9;45268436;;;CHEMBL559543;CACO;ECACO;25;0;"from A to B, <a href=https://www.ebi.ac.uk/chembl/assay_report_card/CHEMBL1060843/  target=_blank>CHEMBL1060843</a>";;;;;;;;;-6.7;;;;;;;;;;;;"Nordhoff S, López-Canet M, Hoffmann-Enger B, Bulat S, Cerezo-Gálvez S, Hill O, Rosenbaum C, Rummey C, Thiemann M, Matassa VG, Edwards PJ, Feurer A.: From lead to preclinical candidate: optimization of beta-homophenylalanine based inhibitors of dipeptidyl peptidase IV. Bioorg Med Chem Lett, Volume 19 (16), 2009";ChEMBL
MM476284;MM476284;Cn1c(N2CCN(CCCN3c4ccccc4Sc4ccc(CC(=O)O)cc43)CC2)cc(=O)n(C)c1=O;BACLISNXCXJOMR-UHFFFAOYSA-N;521.64;2.53;44189144;;;CHEMBL559664;CACO;ECACO;25;0;"from A to B, <a href=https://www.ebi.ac.uk/chembl/assay_report_card/CHEMBL1059634/  target=_blank>CHEMBL1059634</a>";;;;;;;;;-4.91;;;;;;;;;;;;"Kubota K, Kurebayashi H, Miyachi H, Tobe M, Onishi M, Isobe Y.: Synthesis and structure-activity relationships of phenothiazine carboxylic acids having pyrimidine-dione as novel histamine H(1) antagonists. Bioorg Med Chem Lett, Volume 19 (10), 2009";ChEMBL
MM476285;MM476285;Cn1c(N2CCCN(CCCN3c4ccccc4Sc4ccc(CC(=O)O)cc43)CC2)cc(=O)n(C)c1=O;YJGZARVVQHKNAU-UHFFFAOYSA-N;535.67;2.92;45267326;;;CHEMBL559665;CACO;ECACO;25;0;"from A to B, <a href=https://www.ebi.ac.uk/chembl/assay_report_card/CHEMBL1059634/  target=_blank>CHEMBL1059634</a>";;;;;;;;;-5.26;;;;;;;;;;;;"Kubota K, Kurebayashi H, Miyachi H, Tobe M, Onishi M, Isobe Y.: Synthesis and structure-activity relationships of phenothiazine carboxylic acids having pyrimidine-dione as novel histamine H(1) antagonists. Bioorg Med Chem Lett, Volume 19 (10), 2009";ChEMBL
MM476287;MM476287;Cn1c(N2CCCN(CCCN3c4ccccc4Sc4ccc(CCC(=O)O)cc43)CC2)cc(=O)n(C)c1=O;LVQDPXHGLLUJTK-UHFFFAOYSA-N;549.7;3.31;45267329;;;CHEMBL560061;CACO;ECACO;25;0;"from A to B, <a href=https://www.ebi.ac.uk/chembl/assay_report_card/CHEMBL1059634/  target=_blank>CHEMBL1059634</a>";;;;;;;;;-5.11;;;;;;;;;;;;"Kubota K, Kurebayashi H, Miyachi H, Tobe M, Onishi M, Isobe Y.: Synthesis and structure-activity relationships of phenothiazine carboxylic acids having pyrimidine-dione as novel histamine H(1) antagonists. Bioorg Med Chem Lett, Volume 19 (10), 2009";ChEMBL
MM476291;MM476291;Cn1c(N2CCCN(CCCN3c4ccccc4Sc4c(C(=O)O)cccc43)CC2)cc(=O)n(C)c1=O;JONUVZHQXKYZDL-UHFFFAOYSA-N;521.64;2.99;45268182;;;CHEMBL560517;CACO;ECACO;25;0;"from A to B, <a href=https://www.ebi.ac.uk/chembl/assay_report_card/CHEMBL1059634/  target=_blank>CHEMBL1059634</a>";;;;;;;;;-6.3;;;;;;;;;;;;"Kubota K, Kurebayashi H, Miyachi H, Tobe M, Onishi M, Isobe Y.: Synthesis and structure-activity relationships of phenothiazine carboxylic acids having pyrimidine-dione as novel histamine H(1) antagonists. Bioorg Med Chem Lett, Volume 19 (10), 2009";ChEMBL
MM476292;MM476292;c1ccc(CN(c2ccc3[nH]ccc3c2)C2CCNCC2)cc1;;305.43;3.93;44467957;;;CHEMBL560535;CACO;ECACO;25;0;"from A to B, <a href=https://www.ebi.ac.uk/chembl/assay_report_card/CHEMBL1051054/  target=_blank>CHEMBL1051054</a>";;;;;;;;;-5.22;;;;;;;;;;;;"Lucas MC, Carter DS, Cai HY, Lee EK, Schoenfeld RC, Steiner S, Villa M, Weikert RJ, Iyer PS.: Novel, achiral aminoheterocycles as selective monoamine reuptake inhibitors. Bioorg Med Chem Lett, Volume 19 (16), 2009";ChEMBL
MM476293;MM476293;Cn1c(N2CCN(CCCN3c4ccccc4Sc4ccc(CCC(=O)O)cc43)CC2)cc(=O)n(C)c1=O;RIUIDVINUPJOQH-UHFFFAOYSA-N;535.67;2.92;45268185;;;CHEMBL560917;CACO;ECACO;25;0;"from A to B, <a href=https://www.ebi.ac.uk/chembl/assay_report_card/CHEMBL1059634/  target=_blank>CHEMBL1059634</a>";;;;;;;;;-5.29;;;;;;;;;;;;"Kubota K, Kurebayashi H, Miyachi H, Tobe M, Onishi M, Isobe Y.: Synthesis and structure-activity relationships of phenothiazine carboxylic acids having pyrimidine-dione as novel histamine H(1) antagonists. Bioorg Med Chem Lett, Volume 19 (10), 2009";ChEMBL
MM476296;MM476296;CN(CCCN1CCC(CN2c3ccccc3Sc3ccc(C(=O)O)cc32)CC1)c1cc(=O)n(C)c(=O)n1C;MMKZIPYPZZNRTO-UHFFFAOYSA-N;549.7;3.62;45269063;;;CHEMBL561377;CACO;ECACO;25;0;"from A to B, <a href=https://www.ebi.ac.uk/chembl/assay_report_card/CHEMBL1059634/  target=_blank>CHEMBL1059634</a>";;;;;;;;;-6.22;;;;;;;;;;;;"Kubota K, Kurebayashi H, Miyachi H, Tobe M, Onishi M, Isobe Y.: Synthesis and structure-activity relationships of phenothiazine carboxylic acids having pyrimidine-dione as novel histamine H(1) antagonists. Bioorg Med Chem Lett, Volume 19 (10), 2009";ChEMBL
MM476301;MM476301;Cn1c(N2CCCN(CCCN3c4ccccc4Sc4cccc(C(=O)O)c43)CC2)cc(=O)n(C)c1=O;GGTPJIUWVNXICI-UHFFFAOYSA-N;521.64;2.99;45269069;;;CHEMBL561981;CACO;ECACO;25;0;"from A to B, <a href=https://www.ebi.ac.uk/chembl/assay_report_card/CHEMBL1059634/  target=_blank>CHEMBL1059634</a>";;;;;;;;;-6.3;;;;;;;;;;;;"Kubota K, Kurebayashi H, Miyachi H, Tobe M, Onishi M, Isobe Y.: Synthesis and structure-activity relationships of phenothiazine carboxylic acids having pyrimidine-dione as novel histamine H(1) antagonists. Bioorg Med Chem Lett, Volume 19 (10), 2009";ChEMBL
MM476303;MM476303;Cn1c(N2CCCN(CCCN3c4ccccc4Sc4ccc(C(C)(C)C(=O)O)cc43)CC2)cc(=O)n(C)c1=O;WEFSNJOGTPXLGH-UHFFFAOYSA-N;563.72;3.65;45269073;;;CHEMBL562676;CACO;ECACO;25;0;"from A to B, <a href=https://www.ebi.ac.uk/chembl/assay_report_card/CHEMBL1059634/  target=_blank>CHEMBL1059634</a>";;;;;;;;;-5;;;;;;;;;;;;"Kubota K, Kurebayashi H, Miyachi H, Tobe M, Onishi M, Isobe Y.: Synthesis and structure-activity relationships of phenothiazine carboxylic acids having pyrimidine-dione as novel histamine H(1) antagonists. Bioorg Med Chem Lett, Volume 19 (10), 2009";ChEMBL
MM476305;MM476305;Cn1c(N2CCCN(CCCN3c4ccccc4Sc4ccc(C=CC(=O)O)cc43)CC2)cc(=O)n(C)c1=O;YJYGESNCQHFTHG-BENRWUELSA-N;547.68;3.39;45272487;;;CHEMBL562792;CACO;ECACO;25;0;"from A to B, <a href=https://www.ebi.ac.uk/chembl/assay_report_card/CHEMBL1059634/  target=_blank>CHEMBL1059634</a>";;;;;;;;;-5.15;;;;;;;;;;;;"Kubota K, Kurebayashi H, Miyachi H, Tobe M, Onishi M, Isobe Y.: Synthesis and structure-activity relationships of phenothiazine carboxylic acids having pyrimidine-dione as novel histamine H(1) antagonists. Bioorg Med Chem Lett, Volume 19 (10), 2009";ChEMBL
MM476306;MM476306;N#Cc1ccc(NCC2CCCN2C(=O)CC(N)Cc2cc(F)c(F)cc2F)nc1;;417.44;2.73;45273573;;;CHEMBL563244;CACO;ECACO;25;0;"from A to B, <a href=https://www.ebi.ac.uk/chembl/assay_report_card/CHEMBL1060843/  target=_blank>CHEMBL1060843</a>";;;;;;;;;-5.23;;;;;;;;;;;;"Nordhoff S, López-Canet M, Hoffmann-Enger B, Bulat S, Cerezo-Gálvez S, Hill O, Rosenbaum C, Rummey C, Thiemann M, Matassa VG, Edwards PJ, Feurer A.: From lead to preclinical candidate: optimization of beta-homophenylalanine based inhibitors of dipeptidyl peptidase IV. Bioorg Med Chem Lett, Volume 19 (16), 2009";ChEMBL
MM476308;MM476308;Cn1c(N2CCCN(CCCN3c4ccccc4Sc4ccc(OCC(=O)O)cc43)CC2)cc(=O)n(C)c1=O;FDBNTQCFINBNNL-UHFFFAOYSA-N;551.67;2.75;45273362;;;CHEMBL563271;CACO;ECACO;25;0;"from A to B, <a href=https://www.ebi.ac.uk/chembl/assay_report_card/CHEMBL1059634/  target=_blank>CHEMBL1059634</a>";;;;;;;;;-6.3;;;;;;;;;;;;"Kubota K, Kurebayashi H, Miyachi H, Tobe M, Onishi M, Isobe Y.: Synthesis and structure-activity relationships of phenothiazine carboxylic acids having pyrimidine-dione as novel histamine H(1) antagonists. Bioorg Med Chem Lett, Volume 19 (10), 2009";ChEMBL
MM476309;MM476309;NC(CC(=O)N1CCCC1CNS(=O)(=O)C1CC1)Cc1cc(F)c(F)cc1F;LSTBCAMTBZQTCR-OLZOCXBDSA-N;419.47;1.44;45273404;;;CHEMBL563272;CACO;ECACO;25;0;"from A to B, <a href=https://www.ebi.ac.uk/chembl/assay_report_card/CHEMBL1060843/  target=_blank>CHEMBL1060843</a>";;;;;;;;;-6.57;;;;;;;;;;;;"Nordhoff S, López-Canet M, Hoffmann-Enger B, Bulat S, Cerezo-Gálvez S, Hill O, Rosenbaum C, Rummey C, Thiemann M, Matassa VG, Edwards PJ, Feurer A.: From lead to preclinical candidate: optimization of beta-homophenylalanine based inhibitors of dipeptidyl peptidase IV. Bioorg Med Chem Lett, Volume 19 (16), 2009";ChEMBL
MM476310;MM476310;Cn1c(NCCCN2CCC(CN3c4ccccc4Sc4ccc(C(=O)O)cc43)CC2)cc(=O)n(C)c1=O;ZPASDZSMHRZWEN-UHFFFAOYSA-N;535.67;3.6;45269062;;;CHEMBL563520;CACO;ECACO;25;0;"from A to B, <a href=https://www.ebi.ac.uk/chembl/assay_report_card/CHEMBL1059634/  target=_blank>CHEMBL1059634</a>";;;;;;;;;-6.4;;;;;;;;;;;;"Kubota K, Kurebayashi H, Miyachi H, Tobe M, Onishi M, Isobe Y.: Synthesis and structure-activity relationships of phenothiazine carboxylic acids having pyrimidine-dione as novel histamine H(1) antagonists. Bioorg Med Chem Lett, Volume 19 (10), 2009";ChEMBL
MM476311;MM476311;CCC(C(=O)O)c1ccc2c(c1)N(CCCN1CCCN(c3cc(=O)n(C)c(=O)n3C)CC1)c1ccccc1S2;MKKJPIHSAMRGEO-UHFFFAOYSA-N;563.72;3.87;45268186;;;CHEMBL563647;CACO;ECACO;25;0;"from A to B, <a href=https://www.ebi.ac.uk/chembl/assay_report_card/CHEMBL1059634/  target=_blank>CHEMBL1059634</a>";;;;;;;;;-4.65;;;;;;;;;;;;"Kubota K, Kurebayashi H, Miyachi H, Tobe M, Onishi M, Isobe Y.: Synthesis and structure-activity relationships of phenothiazine carboxylic acids having pyrimidine-dione as novel histamine H(1) antagonists. Bioorg Med Chem Lett, Volume 19 (10), 2009";ChEMBL
MM476312;MM476312;NC(CC(=O)N1CCCC1CNC(=O)C1CC1)Cc1cc(F)c(F)cc1F;;383.41;1.88;44250174;;;CHEMBL563648;CACO;ECACO;25;0;"from A to B, <a href=https://www.ebi.ac.uk/chembl/assay_report_card/CHEMBL1060843/  target=_blank>CHEMBL1060843</a>";;;;;;;;;-6.26;;;;;;;;;;;;"Nordhoff S, López-Canet M, Hoffmann-Enger B, Bulat S, Cerezo-Gálvez S, Hill O, Rosenbaum C, Rummey C, Thiemann M, Matassa VG, Edwards PJ, Feurer A.: From lead to preclinical candidate: optimization of beta-homophenylalanine based inhibitors of dipeptidyl peptidase IV. Bioorg Med Chem Lett, Volume 19 (16), 2009";ChEMBL
MM476313;MM476313;N#Cc1ccc(OCC2CCCN2C(=O)CC(N)Cc2cc(F)c(F)cc2F)nc1;;418.42;2.7;45268417;;;CHEMBL563849;CACO;ECACO;25;0;"from A to B, <a href=https://www.ebi.ac.uk/chembl/assay_report_card/CHEMBL1060843/  target=_blank>CHEMBL1060843</a>";;;;;;;;;-4.6;;;;;;;;;;;;"Nordhoff S, López-Canet M, Hoffmann-Enger B, Bulat S, Cerezo-Gálvez S, Hill O, Rosenbaum C, Rummey C, Thiemann M, Matassa VG, Edwards PJ, Feurer A.: From lead to preclinical candidate: optimization of beta-homophenylalanine based inhibitors of dipeptidyl peptidase IV. Bioorg Med Chem Lett, Volume 19 (16), 2009";ChEMBL
MM476315;MM476315;Cn1c(N2CCN(CCN3c4ccccc4Sc4ccc(C(=O)O)cc43)CC2)cc(=O)n(C)c1=O;OYGQVRYZRZJCQY-UHFFFAOYSA-N;493.59;2.21;45269070;;;CHEMBL564168;CACO;ECACO;25;0;"from A to B, <a href=https://www.ebi.ac.uk/chembl/assay_report_card/CHEMBL1059634/  target=_blank>CHEMBL1059634</a>";;;;;;;;;-5.31;;;;;;;;;;;;"Kubota K, Kurebayashi H, Miyachi H, Tobe M, Onishi M, Isobe Y.: Synthesis and structure-activity relationships of phenothiazine carboxylic acids having pyrimidine-dione as novel histamine H(1) antagonists. Bioorg Med Chem Lett, Volume 19 (10), 2009";ChEMBL
MM476317;MM476317;NC(CC(=O)N1CCCC1CNS(=O)(=O)C(F)(F)F)Cc1cc(F)c(F)cc1F;;447.4;1.79;45269275;;;CHEMBL564283;CACO;ECACO;25;0;"from A to B, <a href=https://www.ebi.ac.uk/chembl/assay_report_card/CHEMBL1060843/  target=_blank>CHEMBL1060843</a>";;;;;;;;;-5.04;;;;;;;;;;;;"Nordhoff S, López-Canet M, Hoffmann-Enger B, Bulat S, Cerezo-Gálvez S, Hill O, Rosenbaum C, Rummey C, Thiemann M, Matassa VG, Edwards PJ, Feurer A.: From lead to preclinical candidate: optimization of beta-homophenylalanine based inhibitors of dipeptidyl peptidase IV. Bioorg Med Chem Lett, Volume 19 (16), 2009";ChEMBL
MM476318;MM476318;CCCCn1nc(-c2nc3ccccc3s2)nc2c(=O)n(C)c(=O)nc1-2;REUQOCZUYLFNNL-UHFFFAOYSA-N;368.42;1.91;44556046;;;CHEMBL564316;CACO;ECACO;25;0;"from A to B, <a href=https://www.ebi.ac.uk/chembl/assay_report_card/CHEMBL1115404/  target=_blank>CHEMBL1115404</a>";;;;;;;;;-4.46;;;;;;;;;;;;"Zhou Y, Liu G, Chen J, Reddy PS, Yoon IS, Zhang M, Zhang B, Barber JR, Ng SC.: Pyrimido[5,4-e][1,2,4]triazine-5,7(1H,6H)-dione derivatives: their cytoprotection effect from rotenone toxicity and preliminary DMPK properties. Bioorg Med Chem Lett, Volume 19 (21), 2009";ChEMBL
MM476319;MM476319;Cn1c(N2CCCN(CCCN3c4ccccc4Sc4ccc(C(=O)O)cc43)CC2)cc(=O)n(C)c1=O;UDCCWKBPMHTQIP-UHFFFAOYSA-N;521.64;2.99;;;;;CACO;ECACO;25;0;"from A to B, <a href=https://www.ebi.ac.uk/chembl/assay_report_card/CHEMBL1059634/  target=_blank>CHEMBL1059634</a>";;;;;;;;;-5.33;;;;;;;;;;;;"Kubota K, Kurebayashi H, Miyachi H, Tobe M, Onishi M, Isobe Y.: Synthesis and structure-activity relationships of phenothiazine carboxylic acids having pyrimidine-dione as novel histamine H(1) antagonists. Bioorg Med Chem Lett, Volume 19 (10), 2009";ChEMBL
MM476320;MM476320;CC(C(=O)O)c1ccc2c(c1)N(CCCN1CCCN(c3cc(=O)n(C)c(=O)n3C)CC1)c1ccccc1S2;VKAAMGNCPQOWFB-UHFFFAOYSA-N;549.7;3.48;45270755;;;CHEMBL565083;CACO;ECACO;25;0;"from A to B, <a href=https://www.ebi.ac.uk/chembl/assay_report_card/CHEMBL1059634/  target=_blank>CHEMBL1059634</a>";;;;;;;;;-5.16;;;;;;;;;;;;"Kubota K, Kurebayashi H, Miyachi H, Tobe M, Onishi M, Isobe Y.: Synthesis and structure-activity relationships of phenothiazine carboxylic acids having pyrimidine-dione as novel histamine H(1) antagonists. Bioorg Med Chem Lett, Volume 19 (10), 2009";ChEMBL
MM476321;MM476321;N#Cc1ccnc(OCC2CCCN2C(=O)CC(N)Cc2cc(F)c(F)cc2F)c1;;418.42;2.7;45272664;;;CHEMBL565101;CACO;ECACO;25;0;"from A to B, <a href=https://www.ebi.ac.uk/chembl/assay_report_card/CHEMBL1060843/  target=_blank>CHEMBL1060843</a>";;;;;;;;;-4.39;;;;;;;;;;;;"Nordhoff S, López-Canet M, Hoffmann-Enger B, Bulat S, Cerezo-Gálvez S, Hill O, Rosenbaum C, Rummey C, Thiemann M, Matassa VG, Edwards PJ, Feurer A.: From lead to preclinical candidate: optimization of beta-homophenylalanine based inhibitors of dipeptidyl peptidase IV. Bioorg Med Chem Lett, Volume 19 (16), 2009";ChEMBL
MM476323;MM476323;O=C(NC(Cc1ccc(F)c(Br)c1)C(=O)O)c1ccc(Cl)cc1NS(=O)(=O)c1cccc2nsnc12;;613.87;4.47;45486935;;;CHEMBL565298;CACO;ECACO;25;0;"from A to B, <a href=https://www.ebi.ac.uk/chembl/assay_report_card/CHEMBL1045221/  target=_blank>CHEMBL1045221</a>";;;;;;;;;-7.4;;;;;;;;;;;;"Pippel M, Boyce K, Venkatesan H, Phuong VK, Yan W, Barrett TD, Lagaud G, Li L, Morton MF, Prendergast C, Wu X, Shankley NP, Rabinowitz MH.: Anthranilic sulfonamide CCK1/CCK2 dual receptor antagonists II: tuning of receptor selectivity and in vivo efficacy. Bioorg Med Chem Lett, Volume 19 (22), 2009";ChEMBL
MM476324;MM476324;O=C(NC(Cc1ccc(F)c(Br)c1)C(=O)O)c1cc(Cl)c(Cl)cc1NS(=O)(=O)c1cccc2nsnc12;;648.32;5.13;45102806;;;CHEMBL565324;CACO;ECACO;25;0;"from A to B, <a href=https://www.ebi.ac.uk/chembl/assay_report_card/CHEMBL1045221/  target=_blank>CHEMBL1045221</a>";;;;;;;;;-7.7;;;;;;;;;;;;"Pippel M, Boyce K, Venkatesan H, Phuong VK, Yan W, Barrett TD, Lagaud G, Li L, Morton MF, Prendergast C, Wu X, Shankley NP, Rabinowitz MH.: Anthranilic sulfonamide CCK1/CCK2 dual receptor antagonists II: tuning of receptor selectivity and in vivo efficacy. Bioorg Med Chem Lett, Volume 19 (22), 2009";ChEMBL
MM476326;MM476326;CC(C)(C)c1noc(C2CCCN2C(=O)CC(N)Cc2cc(F)c(F)cc2F)n1;;410.44;3.41;45487888;;;CHEMBL565633;CACO;ECACO;25;0;"from A to B, <a href=https://www.ebi.ac.uk/chembl/assay_report_card/CHEMBL1039016/  target=_blank>CHEMBL1039016</a>";;;;;;;;;-4.7;;;;;;;;;;;;"Nordhoff S, Bulat S, Cerezo-Gálvez S, Hill O, Hoffmann-Enger B, López-Canet M, Rosenbaum C, Rummey C, Thiemann M, Matassa VG, Edwards PJ, Feurer A.: The design of potent and selective inhibitors of DPP-4: optimization of ADME properties by amide replacements. Bioorg Med Chem Lett, Volume 19 (22), 2009";ChEMBL
MM476327;MM476327;CS(=O)(=O)N1CC(c2noc(C3CCCN3C(=O)CC(N)Cc3cc(F)c(F)cc3F)n2)C1;;487.5;1.47;45487920;;;CHEMBL566425;CACO;ECACO;25;0;"from A to B, <a href=https://www.ebi.ac.uk/chembl/assay_report_card/CHEMBL1039016/  target=_blank>CHEMBL1039016</a>";;;;;;;;;-6.82;;;;;;;;;;;;"Nordhoff S, Bulat S, Cerezo-Gálvez S, Hill O, Hoffmann-Enger B, López-Canet M, Rosenbaum C, Rummey C, Thiemann M, Matassa VG, Edwards PJ, Feurer A.: The design of potent and selective inhibitors of DPP-4: optimization of ADME properties by amide replacements. Bioorg Med Chem Lett, Volume 19 (22), 2009";ChEMBL
MM476328;MM476328;O=C(NC(Cc1ccc(F)c(Br)c1)C(=O)O)c1cc(Cl)c(Cl)cc1NS(=O)(=O)c1cccc2nccnc12;;642.29;5.06;45486936;;;CHEMBL566574;CACO;ECACO;25;0;"from A to B, <a href=https://www.ebi.ac.uk/chembl/assay_report_card/CHEMBL1045221/  target=_blank>CHEMBL1045221</a>";;;;;;;;;-7;;;;;;;;;;;;"Pippel M, Boyce K, Venkatesan H, Phuong VK, Yan W, Barrett TD, Lagaud G, Li L, Morton MF, Prendergast C, Wu X, Shankley NP, Rabinowitz MH.: Anthranilic sulfonamide CCK1/CCK2 dual receptor antagonists II: tuning of receptor selectivity and in vivo efficacy. Bioorg Med Chem Lett, Volume 19 (22), 2009";ChEMBL
MM476329;MM476329;NC(CC(=O)N1CCCC1c1nc(-c2ncc(F)cc2F)no1)Cc1cc(F)c(F)cc1F;;467.4;3.45;45101723;;;CHEMBL566829;CACO;ECACO;25;0;"from A to B, <a href=https://www.ebi.ac.uk/chembl/assay_report_card/CHEMBL1039016/  target=_blank>CHEMBL1039016</a>";;;;;;;;;-5.52;;;;;;;;;;;;"Nordhoff S, Bulat S, Cerezo-Gálvez S, Hill O, Hoffmann-Enger B, López-Canet M, Rosenbaum C, Rummey C, Thiemann M, Matassa VG, Edwards PJ, Feurer A.: The design of potent and selective inhibitors of DPP-4: optimization of ADME properties by amide replacements. Bioorg Med Chem Lett, Volume 19 (22), 2009";ChEMBL
MM476330;MM476330;CC(C)CCC1(C)CN(C2CCC2)C(=O)C(C2=NS(=O)(=O)c3cc(NS(C)(=O)=O)ccc3N2)=C1O;XLKQWBFTCKFXAH-HSZRJFAPSA-N;524.67;3.22;135871144;;;CHEMBL567166;CACO;ECACO;25;0;"from A to B, <a href=https://www.ebi.ac.uk/chembl/assay_report_card/CHEMBL1041711/  target=_blank>CHEMBL1041711</a>";;;;;;;;;-5.54;;;;;;;;;;;;"Ellis DA, Blazel JK, Tran CV, Ruebsam F, Murphy DE, Li LS, Zhao J, Zhou Y, McGuire HM, Xiang AX, Webber SE, Zhao Q, Han Q, Kissinger CR, Lardy M, Gobbi A, Showalter RE, Shah AM, Tsan M, Patel RA, LeBrun LA, Kamran R, Bartkowski DM, Nolan TG, Norris DA, Sergeeva MV, Kirkovsky L.: 5,5'- and 6,6'-dialkyl-5,6-dihydro-1H-pyridin-2-ones as potent inhibitors of HCV NS5B polymerase. Bioorg Med Chem Lett, Volume 19 (21), 2009";ChEMBL
MM476331;MM476331;NC(CC(=O)N1CCCC1c1nc(C2CC2)no1)Cc1cc(F)c(F)cc1F;;394.4;2.99;45487930;;;CHEMBL567278;CACO;ECACO;25;0;"from A to B, <a href=https://www.ebi.ac.uk/chembl/assay_report_card/CHEMBL1039016/  target=_blank>CHEMBL1039016</a>";;;;;;;;;-4.68;;;;;;;;;;;;"Nordhoff S, Bulat S, Cerezo-Gálvez S, Hill O, Hoffmann-Enger B, López-Canet M, Rosenbaum C, Rummey C, Thiemann M, Matassa VG, Edwards PJ, Feurer A.: The design of potent and selective inhibitors of DPP-4: optimization of ADME properties by amide replacements. Bioorg Med Chem Lett, Volume 19 (22), 2009";ChEMBL
MM476332;MM476332;CCCOCCn1c(=O)c(NC2CCC(O)CC2)nc2cnc(-c3ccc(OC)nc3)cc21;IVZATIQZZIVIQL-IYARVYRRSA-N;453.54;3;11992634;;;CHEMBL567470;CACO;ECACO;25;0;"from A to B, <a href=https://www.ebi.ac.uk/chembl/assay_report_card/CHEMBL1046276/  target=_blank>CHEMBL1046276</a>";;;;;;;;;-4.47;;;;;;;;;;;;"Hughes RO, Walker JK, Rogier DJ, Heasley SE, Blevis-Bal RM, Benson AG, Jacobsen EJ, Cubbage JW, Fobian YM, Owen DR, Freskos JN, Molyneaux JM, Brown DL, Acker BA, Maddux TM, Tollefson MB, Moon JB, Mischke BV, Rumsey JM, Zheng Y, MacInnes A, Bond BR, Yu Y.: Optimization of the aminopyridopyrazinones class of PDE5 inhibitors: discovery of 3-[(trans-4-hydroxycyclohexyl)amino]-7-(6-methoxypyridin-3-yl)-1-(2-propoxyethyl)pyrido[3,4-b]pyrazin-2(1H)-one. Bioorg Med Chem Lett, Volume 19 (17), 2009";ChEMBL
MM476334;MM476334;CC(C)(F)c1nc(C2CCCN2C(=O)CC(N)Cc2cc(F)c(F)cc2F)no1;;414.4;3.32;45102670;;;CHEMBL567728;CACO;ECACO;25;0;"from A to B, <a href=https://www.ebi.ac.uk/chembl/assay_report_card/CHEMBL1039016/  target=_blank>CHEMBL1039016</a>";;;;;;;;;-4.85;;;;;;;;;;;;"Nordhoff S, Bulat S, Cerezo-Gálvez S, Hill O, Hoffmann-Enger B, López-Canet M, Rosenbaum C, Rummey C, Thiemann M, Matassa VG, Edwards PJ, Feurer A.: The design of potent and selective inhibitors of DPP-4: optimization of ADME properties by amide replacements. Bioorg Med Chem Lett, Volume 19 (22), 2009";ChEMBL
MM476336;MM476336;O=C(NC(Cc1ccc(F)c(Br)c1)C(=O)O)c1ccc(Cl)cc1NS(=O)(=O)c1cccc2nccnc12;;607.85;4.41;45486964;;;CHEMBL569391;CACO;ECACO;25;0;"from A to B, <a href=https://www.ebi.ac.uk/chembl/assay_report_card/CHEMBL1045221/  target=_blank>CHEMBL1045221</a>";;;;;;;;;-7.4;;;;;;;;;;;;"Pippel M, Boyce K, Venkatesan H, Phuong VK, Yan W, Barrett TD, Lagaud G, Li L, Morton MF, Prendergast C, Wu X, Shankley NP, Rabinowitz MH.: Anthranilic sulfonamide CCK1/CCK2 dual receptor antagonists II: tuning of receptor selectivity and in vivo efficacy. Bioorg Med Chem Lett, Volume 19 (22), 2009";ChEMBL
MM476337;MM476337;N#Cc1c(-c2ccc(-c3no[n+]([O-])c3C#N)s2)no[n+]1[O-];;302.23;0.07;;;;CHEMBL569420;CACO;ECACO;25;+2,-2;"from A to B, <a href=https://www.ebi.ac.uk/chembl/assay_report_card/CHEMBL1050861/  target=_blank>CHEMBL1050861</a>";;;;;;;;;-5.4;;;;;;;;;;;;"Rai G, Sayed AA, Lea WA, Luecke HF, Chakrapani H, Prast-Nielsen S, Jadhav A, Leister W, Shen M, Inglese J, Austin CP, Keefer L, Arnér ES, Simeonov A, Maloney DJ, Williams DL, Thomas CJ.: Structure mechanism insights and the role of nitric oxide donation guide the development of oxadiazole-2-oxides as therapeutic agents against schistosomiasis. J Med Chem, Volume 52 (20), 2009";ChEMBL
MM476338;MM476338;O=C(Cc1cccc2ccccc12)Nc1cn(C2CC(NC(=O)c3ccccn3)C2)cn1;;425.49;3.75;10224259;;;CHEMBL569587;CACO;ECACO;25;0;"from A to B, <a href=https://www.ebi.ac.uk/chembl/assay_report_card/CHEMBL1048149/  target=_blank>CHEMBL1048149</a>";;;;;;;;;-4.59;;;;;;;;;;;;"Helal CJ, Kang Z, Lucas JC, Gant T, Ahlijanian MK, Schachter JB, Richter KE, Cook JM, Menniti FS, Kelly K, Mente S, Pandit J, Hosea N.: Potent and cellularly active 4-aminoimidazole inhibitors of cyclin-dependent kinase 5/p25 for the treatment of Alzheimer's disease. Bioorg Med Chem Lett, Volume 19 (19), 2009";ChEMBL
MM476343;MM476343;N#Cc1c(-c2cc(F)cc(-c3no[n+]([O-])c3C#N)c2)no[n+]1[O-];;314.19;0.15;;;;CHEMBL570121;CACO;ECACO;25;+2,-2;"from A to B, <a href=https://www.ebi.ac.uk/chembl/assay_report_card/CHEMBL1050861/  target=_blank>CHEMBL1050861</a>";;;;;;;;;-5.1;;;;;;;;;;;;"Rai G, Sayed AA, Lea WA, Luecke HF, Chakrapani H, Prast-Nielsen S, Jadhav A, Leister W, Shen M, Inglese J, Austin CP, Keefer L, Arnér ES, Simeonov A, Maloney DJ, Williams DL, Thomas CJ.: Structure mechanism insights and the role of nitric oxide donation guide the development of oxadiazole-2-oxides as therapeutic agents against schistosomiasis. J Med Chem, Volume 52 (20), 2009";ChEMBL
MM476344;MM476344;N#Cc1cccc(CN(c2ccc3[nH]ccc3c2)C2CCNCC2)c1;;330.44;3.8;44466344;;;CHEMBL570317;CACO;ECACO;25;0;"from A to B, <a href=https://www.ebi.ac.uk/chembl/assay_report_card/CHEMBL1051054/  target=_blank>CHEMBL1051054</a>";;;;;;;;;-5.4;;;;;;;;;;;;"Lucas MC, Carter DS, Cai HY, Lee EK, Schoenfeld RC, Steiner S, Villa M, Weikert RJ, Iyer PS.: Novel, achiral aminoheterocycles as selective monoamine reuptake inhibitors. Bioorg Med Chem Lett, Volume 19 (16), 2009";ChEMBL
MM476346;MM476346;O=C(NC(Cc1ccc(Cl)c(Br)c1)C(=O)O)c1ccc(Br)cc1NS(=O)(=O)c1cccc2nsnc12;;674.78;5.1;45487002;;;CHEMBL570520;CACO;ECACO;25;0;"from A to B, <a href=https://www.ebi.ac.uk/chembl/assay_report_card/CHEMBL1045221/  target=_blank>CHEMBL1045221</a>";;;;;;;;;-7;;;;;;;;;;;;"Pippel M, Boyce K, Venkatesan H, Phuong VK, Yan W, Barrett TD, Lagaud G, Li L, Morton MF, Prendergast C, Wu X, Shankley NP, Rabinowitz MH.: Anthranilic sulfonamide CCK1/CCK2 dual receptor antagonists II: tuning of receptor selectivity and in vivo efficacy. Bioorg Med Chem Lett, Volume 19 (22), 2009";ChEMBL
MM476351;MM476351;O=C(NC(Cc1ccc(F)c(Br)c1)C(=O)O)c1ccc(Br)cc1NS(=O)(=O)c1cccc2nccnc12;;652.3;4.52;45486985;;;CHEMBL571650;CACO;ECACO;25;0;"from A to B, <a href=https://www.ebi.ac.uk/chembl/assay_report_card/CHEMBL1045221/  target=_blank>CHEMBL1045221</a>";;;;;;;;;-7.52;;;;;;;;;;;;"Pippel M, Boyce K, Venkatesan H, Phuong VK, Yan W, Barrett TD, Lagaud G, Li L, Morton MF, Prendergast C, Wu X, Shankley NP, Rabinowitz MH.: Anthranilic sulfonamide CCK1/CCK2 dual receptor antagonists II: tuning of receptor selectivity and in vivo efficacy. Bioorg Med Chem Lett, Volume 19 (22), 2009";ChEMBL
MM476352;MM476352;CC(=O)NC1CC(n2cnc(NC(=O)Cc3cccc4ccccc34)c2)C1;;362.43;3.06;45485630;;;CHEMBL571780;CACO;ECACO;25;0;"from A to B, <a href=https://www.ebi.ac.uk/chembl/assay_report_card/CHEMBL1048149/  target=_blank>CHEMBL1048149</a>";;;;;;;;;-5.82;;;;;;;;;;;;"Helal CJ, Kang Z, Lucas JC, Gant T, Ahlijanian MK, Schachter JB, Richter KE, Cook JM, Menniti FS, Kelly K, Mente S, Pandit J, Hosea N.: Potent and cellularly active 4-aminoimidazole inhibitors of cyclin-dependent kinase 5/p25 for the treatment of Alzheimer's disease. Bioorg Med Chem Lett, Volume 19 (19), 2009";ChEMBL
MM476358;MM476358;Cc1nc2ccc(NCc3cccc(C(F)(F)F)c3)cc2n(CCNC(=O)CO)c1=O;;434.42;2.44;25195516;;;CHEMBL573829;CACO;ECACO;25;0;"from A to B, <a href=https://www.ebi.ac.uk/chembl/assay_report_card/CHEMBL1044841/  target=_blank>CHEMBL1044841</a>";;;;;;;;;-5.17;;;;;;;;;;;;"Koltun DO, Zilbershtein TM, Migulin VA, Vasilevich NI, Parkhill EQ, Glushkov AI, McGregor MJ, Brunn SA, Chu N, Hao J, Mollova N, Leung K, Chisholm JW, Zablocki J.: Potent, orally bioavailable, liver-selective stearoyl-CoA desaturase (SCD) inhibitors. Bioorg Med Chem Lett, Volume 19 (15), 2009";ChEMBL
MM476362;MM476362;NC(N)=NCCCC(NC(=O)C1Cc2ccccc2CN1)C(=O)O;;333.39;-0.47;44613462;;;CHEMBL576424;CACO;ECACO;25;0;"from A to B, <a href=https://www.ebi.ac.uk/chembl/assay_report_card/CHEMBL1046166/  target=_blank>CHEMBL1046166</a>";;;;;;;;;-4.77;;;;;;;;;;;;"Cheng S, Zhang X, Wang W, Zhao M, Zheng M, Chang HW, Wu J, Peng S.: A class of novel N-(3S-1,2,3,4-tetrahydroisoquinoline-3-carbonyl)-L-amino acid derivatives: their synthesis, anti-thrombotic activity evaluation, and 3D QSAR analysis. Eur J Med Chem, Volume 44 (12), 2009";ChEMBL
MM476362;MM476362;NC(N)=NCCCC(NC(=O)C1Cc2ccccc2CN1)C(=O)O;;333.39;-0.47;44613462;;;CHEMBL576424;CACO;ECACO;25;0;"from A to B, <a href=https://www.ebi.ac.uk/chembl/assay_report_card/CHEMBL1046168/  target=_blank>CHEMBL1046168</a>";;;;;;;;;-5.63;;;;;;;;;;;;"Cheng S, Zhang X, Wang W, Zhao M, Zheng M, Chang HW, Wu J, Peng S.: A class of novel N-(3S-1,2,3,4-tetrahydroisoquinoline-3-carbonyl)-L-amino acid derivatives: their synthesis, anti-thrombotic activity evaluation, and 3D QSAR analysis. Eur J Med Chem, Volume 44 (12), 2009";ChEMBL
MM476363;MM476363;N#Cc1c(-c2csc(-c3no[n+]([O-])c3C#N)c2)no[n+]1[O-];;302.23;0.07;;;;CHEMBL576624;CACO;ECACO;25;+2,-2;"from A to B, <a href=https://www.ebi.ac.uk/chembl/assay_report_card/CHEMBL1050861/  target=_blank>CHEMBL1050861</a>";;;;;;;;;-5.03;;;;;;;;;;;;"Rai G, Sayed AA, Lea WA, Luecke HF, Chakrapani H, Prast-Nielsen S, Jadhav A, Leister W, Shen M, Inglese J, Austin CP, Keefer L, Arnér ES, Simeonov A, Maloney DJ, Williams DL, Thomas CJ.: Structure mechanism insights and the role of nitric oxide donation guide the development of oxadiazole-2-oxides as therapeutic agents against schistosomiasis. J Med Chem, Volume 52 (20), 2009";ChEMBL
MM476369;MM476369;Cc1cccc(C(=O)NC2CC(n3cnc(NC(=O)Cc4cccc5ccccc45)c3)C2)n1;;439.52;4.05;10114110;;;CHEMBL583658;CACO;ECACO;25;0;"from A to B, <a href=https://www.ebi.ac.uk/chembl/assay_report_card/CHEMBL1048149/  target=_blank>CHEMBL1048149</a>";;;;;;;;;-4.86;;;;;;;;;;;;"Helal CJ, Kang Z, Lucas JC, Gant T, Ahlijanian MK, Schachter JB, Richter KE, Cook JM, Menniti FS, Kelly K, Mente S, Pandit J, Hosea N.: Potent and cellularly active 4-aminoimidazole inhibitors of cyclin-dependent kinase 5/p25 for the treatment of Alzheimer's disease. Bioorg Med Chem Lett, Volume 19 (19), 2009";ChEMBL
MM476370;MM476370;N#Cc1c(-c2cccs2)no[n+]1[O-];;193.19;0.91;;;;CHEMBL583780;CACO;ECACO;25;+1,-1;"from A to B, <a href=https://www.ebi.ac.uk/chembl/assay_report_card/CHEMBL1050861/  target=_blank>CHEMBL1050861</a>";;;;;;;;;-5.6;;;;;;;;;;;;"Rai G, Sayed AA, Lea WA, Luecke HF, Chakrapani H, Prast-Nielsen S, Jadhav A, Leister W, Shen M, Inglese J, Austin CP, Keefer L, Arnér ES, Simeonov A, Maloney DJ, Williams DL, Thomas CJ.: Structure mechanism insights and the role of nitric oxide donation guide the development of oxadiazole-2-oxides as therapeutic agents against schistosomiasis. J Med Chem, Volume 52 (20), 2009";ChEMBL
Nelfinavir;MM00528;Cc1c(O)cccc1C(=O)NC(CSc1ccccc1)C(O)CN1CC2CCCCC2CC1C(=O)NC(C)(C)C;QAGYKUNXZHXKMR-UHFFFAOYSA-N;567.8;4.75;64143;DB00220;1UN;CHEMBL584;CACO;ECACO;25;0;"from A to B, <a href=https://www.ebi.ac.uk/chembl/assay_report_card/CHEMBL945651/  target=_blank>CHEMBL945651</a>";;;;;;;;;-5.99;;;;;;;;;;;;"Roche D, Greiner J, Aubertin AM, Vierling P.: Synthesis and in vitro biological evaluation of valine-containing prodrugs derived from clinically used HIV-protease inhibitors. Eur J Med Chem, Volume 43 (7), 2008";ChEMBL
MM476373;MM476373;O=C(NC(Cc1ccc(Cl)c(Br)c1)C(=O)O)c1ccc(Br)cc1NS(=O)(=O)c1cccc2nccnc12;;668.75;5.03;45487006;;;CHEMBL584525;CACO;ECACO;25;0;"from A to B, <a href=https://www.ebi.ac.uk/chembl/assay_report_card/CHEMBL1045221/  target=_blank>CHEMBL1045221</a>";;;;;;;;;-7;;;;;;;;;;;;"Pippel M, Boyce K, Venkatesan H, Phuong VK, Yan W, Barrett TD, Lagaud G, Li L, Morton MF, Prendergast C, Wu X, Shankley NP, Rabinowitz MH.: Anthranilic sulfonamide CCK1/CCK2 dual receptor antagonists II: tuning of receptor selectivity and in vivo efficacy. Bioorg Med Chem Lett, Volume 19 (22), 2009";ChEMBL
MM476374;MM476374;NC(CC(=O)N1CCCC1c1noc(C2(C(F)(F)F)CC2)n1)Cc1cc(F)c(F)cc1F;;462.39;3.7;45487921;;;CHEMBL584692;CACO;ECACO;25;0;"from A to B, <a href=https://www.ebi.ac.uk/chembl/assay_report_card/CHEMBL1039016/  target=_blank>CHEMBL1039016</a>";;;;;;;;;-4.64;;;;;;;;;;;;"Nordhoff S, Bulat S, Cerezo-Gálvez S, Hill O, Hoffmann-Enger B, López-Canet M, Rosenbaum C, Rummey C, Thiemann M, Matassa VG, Edwards PJ, Feurer A.: The design of potent and selective inhibitors of DPP-4: optimization of ADME properties by amide replacements. Bioorg Med Chem Lett, Volume 19 (22), 2009";ChEMBL
MM476376;MM476376;O=C(NC(Cc1ccc(F)c(Br)c1)C(=O)O)c1ccc(Br)cc1NS(=O)(=O)c1cccc2nsnc12;;658.33;4.58;45486976;;;CHEMBL585157;CACO;ECACO;25;0;"from A to B, <a href=https://www.ebi.ac.uk/chembl/assay_report_card/CHEMBL1045221/  target=_blank>CHEMBL1045221</a>";;;;;;;;;-7.3;;;;;;;;;;;;"Pippel M, Boyce K, Venkatesan H, Phuong VK, Yan W, Barrett TD, Lagaud G, Li L, Morton MF, Prendergast C, Wu X, Shankley NP, Rabinowitz MH.: Anthranilic sulfonamide CCK1/CCK2 dual receptor antagonists II: tuning of receptor selectivity and in vivo efficacy. Bioorg Med Chem Lett, Volume 19 (22), 2009";ChEMBL
MM476378;MM476378;N#Cc1c(-c2ccc(Br)cc2)no[n+]1[O-];;266.05;1.61;;;;CHEMBL585368;CACO;ECACO;25;+1,-1;"from A to B, <a href=https://www.ebi.ac.uk/chembl/assay_report_card/CHEMBL1050861/  target=_blank>CHEMBL1050861</a>";;;;;;;;;-5.1;;;;;;;;;;;;"Rai G, Sayed AA, Lea WA, Luecke HF, Chakrapani H, Prast-Nielsen S, Jadhav A, Leister W, Shen M, Inglese J, Austin CP, Keefer L, Arnér ES, Simeonov A, Maloney DJ, Williams DL, Thomas CJ.: Structure mechanism insights and the role of nitric oxide donation guide the development of oxadiazole-2-oxides as therapeutic agents against schistosomiasis. J Med Chem, Volume 52 (20), 2009";ChEMBL
MM473023;MM473023;COc1ccc(C(=O)NCc2cccc(C(=O)Nc3ccc(CN(C)C)cc3)c2)cc1Cl;VYLVEERKOLDJOU-UHFFFAOYSA-N;451.95;4.59;25054307;;;CHEMBL592709;CACO;ECACO;25;0;"from A to B, <a href=https://www.ebi.ac.uk/chembl/assay_report_card/CHEMBL1066153/  target=_blank>CHEMBL1066153</a>";;;;;;;;;-5.11;;;;;;;;;;;;"Morwick T, Büttner FH, Cywin CL, Dahmann G, Hickey E, Jakes S, Kaplita P, Kashem MA, Kerr S, Kugler S, Mao W, Marshall D, Paw Z, Shih CK, Wu F, Young E.: Hit to lead account of the discovery of bisbenzamide and related ureidobenzamide inhibitors of Rho kinase. J Med Chem, Volume 53 (2), 2010";ChEMBL
MM476381;MM476381;Cc1cc(C#N)nc(C)c1C(=O)N1CC2CN(CCC3(c4ccccc4)CN(C(=O)C4CCC(F)(F)CC4)C3)CC2C1;;575.7;4.57;46191233;;;CHEMBL593027;CACO;ECACO;25;0;"from A to B, <a href=https://www.ebi.ac.uk/chembl/assay_report_card/CHEMBL1072587/  target=_blank>CHEMBL1072587</a>";;;;;;;;;-6.28;;;;;;;;;;;;"Lemoine RC, Petersen AC, Setti L, Wanner J, Jekle A, Heilek G, deRosier A, Ji C, Berry P, Rotstein D.: Evaluation of secondary amide replacements in a series of CCR5 antagonists as a means to increase intrinsic membrane permeability. Part 1: Optimization of gem-disubstituted azacycles. Bioorg Med Chem Lett, Volume 20 (2), 2010";ChEMBL
MM476381;MM476381;Cc1cc(C#N)nc(C)c1C(=O)N1CC2CN(CCC3(c4ccccc4)CN(C(=O)C4CCC(F)(F)CC4)C3)CC2C1;;575.7;4.57;46191233;;;CHEMBL593027;CACO;ECACO;25;0;"from A to B, <a href=https://www.ebi.ac.uk/chembl/assay_report_card/CHEMBL1072588/  target=_blank>CHEMBL1072588</a>";;;;;;;;;-4.99;;;;;;;;;;;;"Lemoine RC, Petersen AC, Setti L, Wanner J, Jekle A, Heilek G, deRosier A, Ji C, Berry P, Rotstein D.: Evaluation of secondary amide replacements in a series of CCR5 antagonists as a means to increase intrinsic membrane permeability. Part 1: Optimization of gem-disubstituted azacycles. Bioorg Med Chem Lett, Volume 20 (2), 2010";ChEMBL
MM476383;MM476383;Cc1cc(C#N)nc(C)c1C(=O)N1CC2CN(CCC3(c4ccccc4)CN(C(=O)C4CC(F)(F)C4)C3)CC2C1;;547.65;3.79;46225532;;;CHEMBL593042;CACO;ECACO;25;0;"from A to B, <a href=https://www.ebi.ac.uk/chembl/assay_report_card/CHEMBL1072587/  target=_blank>CHEMBL1072587</a>";;;;;;;;;-6.36;;;;;;;;;;;;"Lemoine RC, Petersen AC, Setti L, Wanner J, Jekle A, Heilek G, deRosier A, Ji C, Berry P, Rotstein D.: Evaluation of secondary amide replacements in a series of CCR5 antagonists as a means to increase intrinsic membrane permeability. Part 1: Optimization of gem-disubstituted azacycles. Bioorg Med Chem Lett, Volume 20 (2), 2010";ChEMBL
MM476383;MM476383;Cc1cc(C#N)nc(C)c1C(=O)N1CC2CN(CCC3(c4ccccc4)CN(C(=O)C4CC(F)(F)C4)C3)CC2C1;;547.65;3.79;46225532;;;CHEMBL593042;CACO;ECACO;25;0;"from A to B, <a href=https://www.ebi.ac.uk/chembl/assay_report_card/CHEMBL1072588/  target=_blank>CHEMBL1072588</a>";;;;;;;;;-4.97;;;;;;;;;;;;"Lemoine RC, Petersen AC, Setti L, Wanner J, Jekle A, Heilek G, deRosier A, Ji C, Berry P, Rotstein D.: Evaluation of secondary amide replacements in a series of CCR5 antagonists as a means to increase intrinsic membrane permeability. Part 1: Optimization of gem-disubstituted azacycles. Bioorg Med Chem Lett, Volume 20 (2), 2010";ChEMBL
MM476384;MM476384;Cc1cc(C(F)(F)F)nc(C)c1C(=O)N1CC2CN(CCC3(c4ccccc4)CN(C(=O)C4CCC(F)(F)CC4)C3)CC2C1;;618.69;5.72;46191232;;;CHEMBL593046;CACO;ECACO;25;0;"from A to B, <a href=https://www.ebi.ac.uk/chembl/assay_report_card/CHEMBL1072587/  target=_blank>CHEMBL1072587</a>";;;;;;;;;-5.76;;;;;;;;;;;;"Lemoine RC, Petersen AC, Setti L, Wanner J, Jekle A, Heilek G, deRosier A, Ji C, Berry P, Rotstein D.: Evaluation of secondary amide replacements in a series of CCR5 antagonists as a means to increase intrinsic membrane permeability. Part 1: Optimization of gem-disubstituted azacycles. Bioorg Med Chem Lett, Volume 20 (2), 2010";ChEMBL
MM476384;MM476384;Cc1cc(C(F)(F)F)nc(C)c1C(=O)N1CC2CN(CCC3(c4ccccc4)CN(C(=O)C4CCC(F)(F)CC4)C3)CC2C1;;618.69;5.72;46191232;;;CHEMBL593046;CACO;ECACO;25;0;"from A to B, <a href=https://www.ebi.ac.uk/chembl/assay_report_card/CHEMBL1072588/  target=_blank>CHEMBL1072588</a>";;;;;;;;;-4.84;;;;;;;;;;;;"Lemoine RC, Petersen AC, Setti L, Wanner J, Jekle A, Heilek G, deRosier A, Ji C, Berry P, Rotstein D.: Evaluation of secondary amide replacements in a series of CCR5 antagonists as a means to increase intrinsic membrane permeability. Part 1: Optimization of gem-disubstituted azacycles. Bioorg Med Chem Lett, Volume 20 (2), 2010";ChEMBL
MM476385;MM476385;Cc1cc(C(F)(F)F)nc(C)c1C(=O)N1CC2CN(CCC3(c4ccccc4)CN(C(=O)C4CC(F)(F)C4)C3)CC2C1;;590.64;4.94;46225533;;;CHEMBL593080;CACO;ECACO;25;0;"from A to B, <a href=https://www.ebi.ac.uk/chembl/assay_report_card/CHEMBL1072587/  target=_blank>CHEMBL1072587</a>";;;;;;;;;-5.8;;;;;;;;;;;;"Lemoine RC, Petersen AC, Setti L, Wanner J, Jekle A, Heilek G, deRosier A, Ji C, Berry P, Rotstein D.: Evaluation of secondary amide replacements in a series of CCR5 antagonists as a means to increase intrinsic membrane permeability. Part 1: Optimization of gem-disubstituted azacycles. Bioorg Med Chem Lett, Volume 20 (2), 2010";ChEMBL
MM476385;MM476385;Cc1cc(C(F)(F)F)nc(C)c1C(=O)N1CC2CN(CCC3(c4ccccc4)CN(C(=O)C4CC(F)(F)C4)C3)CC2C1;;590.64;4.94;46225533;;;CHEMBL593080;CACO;ECACO;25;0;"from A to B, <a href=https://www.ebi.ac.uk/chembl/assay_report_card/CHEMBL1072588/  target=_blank>CHEMBL1072588</a>";;;;;;;;;-4.88;;;;;;;;;;;;"Lemoine RC, Petersen AC, Setti L, Wanner J, Jekle A, Heilek G, deRosier A, Ji C, Berry P, Rotstein D.: Evaluation of secondary amide replacements in a series of CCR5 antagonists as a means to increase intrinsic membrane permeability. Part 1: Optimization of gem-disubstituted azacycles. Bioorg Med Chem Lett, Volume 20 (2), 2010";ChEMBL
MM476389;MM476389;Cc1cc(C#N)nc(C)c1C(=O)N1CC2CN(CCC3(c4cccc(F)c4)CCN(C(=O)C(C)(C)C)CC3)CC2C1;;559.73;4.71;46225347;;;CHEMBL595584;CACO;ECACO;25;0;"from A to B, <a href=https://www.ebi.ac.uk/chembl/assay_report_card/CHEMBL1072587/  target=_blank>CHEMBL1072587</a>";;;;;;;;;-5.56;;;;;;;;;;;;"Lemoine RC, Petersen AC, Setti L, Wanner J, Jekle A, Heilek G, deRosier A, Ji C, Berry P, Rotstein D.: Evaluation of secondary amide replacements in a series of CCR5 antagonists as a means to increase intrinsic membrane permeability. Part 1: Optimization of gem-disubstituted azacycles. Bioorg Med Chem Lett, Volume 20 (2), 2010";ChEMBL
MM476389;MM476389;Cc1cc(C#N)nc(C)c1C(=O)N1CC2CN(CCC3(c4cccc(F)c4)CCN(C(=O)C(C)(C)C)CC3)CC2C1;;559.73;4.71;46225347;;;CHEMBL595584;CACO;ECACO;25;0;"from A to B, <a href=https://www.ebi.ac.uk/chembl/assay_report_card/CHEMBL1072588/  target=_blank>CHEMBL1072588</a>";;;;;;;;;-4.76;;;;;;;;;;;;"Lemoine RC, Petersen AC, Setti L, Wanner J, Jekle A, Heilek G, deRosier A, Ji C, Berry P, Rotstein D.: Evaluation of secondary amide replacements in a series of CCR5 antagonists as a means to increase intrinsic membrane permeability. Part 1: Optimization of gem-disubstituted azacycles. Bioorg Med Chem Lett, Volume 20 (2), 2010";ChEMBL
MM476390;MM476390;Cc1cc(C#N)nc(C)c1C(=O)N1CC2CN(CCC3(c4ccccc4)CCN(C(=O)C4CCCC4)C3)CC2C1;;539.72;4.32;46225349;;;CHEMBL595610;CACO;ECACO;25;0;"from A to B, <a href=https://www.ebi.ac.uk/chembl/assay_report_card/CHEMBL1072587/  target=_blank>CHEMBL1072587</a>";;;;;;;;;-5.59;;;;;;;;;;;;"Lemoine RC, Petersen AC, Setti L, Wanner J, Jekle A, Heilek G, deRosier A, Ji C, Berry P, Rotstein D.: Evaluation of secondary amide replacements in a series of CCR5 antagonists as a means to increase intrinsic membrane permeability. Part 1: Optimization of gem-disubstituted azacycles. Bioorg Med Chem Lett, Volume 20 (2), 2010";ChEMBL
MM476390;MM476390;Cc1cc(C#N)nc(C)c1C(=O)N1CC2CN(CCC3(c4ccccc4)CCN(C(=O)C4CCCC4)C3)CC2C1;;539.72;4.32;46225349;;;CHEMBL595610;CACO;ECACO;25;0;"from A to B, <a href=https://www.ebi.ac.uk/chembl/assay_report_card/CHEMBL1072588/  target=_blank>CHEMBL1072588</a>";;;;;;;;;-4.84;;;;;;;;;;;;"Lemoine RC, Petersen AC, Setti L, Wanner J, Jekle A, Heilek G, deRosier A, Ji C, Berry P, Rotstein D.: Evaluation of secondary amide replacements in a series of CCR5 antagonists as a means to increase intrinsic membrane permeability. Part 1: Optimization of gem-disubstituted azacycles. Bioorg Med Chem Lett, Volume 20 (2), 2010";ChEMBL
MM476391;MM476391;Cc1ncnc(C)c1C(=O)N1CC2CN(CCC(NC(=O)C3CCC(F)(F)CC3)c3cccc(F)c3)CC2C1;;543.63;4.31;46225329;;;CHEMBL595731;CACO;ECACO;25;0;"from A to B, <a href=https://www.ebi.ac.uk/chembl/assay_report_card/CHEMBL1072587/  target=_blank>CHEMBL1072587</a>";;;;;;;;;-6.66;;;;;;;;;;;;"Lemoine RC, Petersen AC, Setti L, Wanner J, Jekle A, Heilek G, deRosier A, Ji C, Berry P, Rotstein D.: Evaluation of secondary amide replacements in a series of CCR5 antagonists as a means to increase intrinsic membrane permeability. Part 1: Optimization of gem-disubstituted azacycles. Bioorg Med Chem Lett, Volume 20 (2), 2010";ChEMBL
MM476391;MM476391;Cc1ncnc(C)c1C(=O)N1CC2CN(CCC(NC(=O)C3CCC(F)(F)CC3)c3cccc(F)c3)CC2C1;;543.63;4.31;46225329;;;CHEMBL595731;CACO;ECACO;25;0;"from A to B, <a href=https://www.ebi.ac.uk/chembl/assay_report_card/CHEMBL1072588/  target=_blank>CHEMBL1072588</a>";;;;;;;;;-5.27;;;;;;;;;;;;"Lemoine RC, Petersen AC, Setti L, Wanner J, Jekle A, Heilek G, deRosier A, Ji C, Berry P, Rotstein D.: Evaluation of secondary amide replacements in a series of CCR5 antagonists as a means to increase intrinsic membrane permeability. Part 1: Optimization of gem-disubstituted azacycles. Bioorg Med Chem Lett, Volume 20 (2), 2010";ChEMBL
MM476392;MM476392;Cc1ncnc(C)c1C(=O)N1CC2CN(CCC3(c4cccc(F)c4)CCN(C(=O)C(C)(C)C)CC3)CC2C1;;535.71;4.23;46225344;;;CHEMBL595760;CACO;ECACO;25;0;"from A to B, <a href=https://www.ebi.ac.uk/chembl/assay_report_card/CHEMBL1072587/  target=_blank>CHEMBL1072587</a>";;;;;;;;;-5.53;;;;;;;;;;;;"Lemoine RC, Petersen AC, Setti L, Wanner J, Jekle A, Heilek G, deRosier A, Ji C, Berry P, Rotstein D.: Evaluation of secondary amide replacements in a series of CCR5 antagonists as a means to increase intrinsic membrane permeability. Part 1: Optimization of gem-disubstituted azacycles. Bioorg Med Chem Lett, Volume 20 (2), 2010";ChEMBL
MM476392;MM476392;Cc1ncnc(C)c1C(=O)N1CC2CN(CCC3(c4cccc(F)c4)CCN(C(=O)C(C)(C)C)CC3)CC2C1;;535.71;4.23;46225344;;;CHEMBL595760;CACO;ECACO;25;0;"from A to B, <a href=https://www.ebi.ac.uk/chembl/assay_report_card/CHEMBL1072588/  target=_blank>CHEMBL1072588</a>";;;;;;;;;-4.83;;;;;;;;;;;;"Lemoine RC, Petersen AC, Setti L, Wanner J, Jekle A, Heilek G, deRosier A, Ji C, Berry P, Rotstein D.: Evaluation of secondary amide replacements in a series of CCR5 antagonists as a means to increase intrinsic membrane permeability. Part 1: Optimization of gem-disubstituted azacycles. Bioorg Med Chem Lett, Volume 20 (2), 2010";ChEMBL
MM476395;MM476395;COc1ccc(C(=O)NCc2cccc(C(=O)NCCC3CCCNC3)c2)cc1OC;;425.53;2.75;25057408;;;CHEMBL597127;CACO;ECACO;25;0;"from A to B, <a href=https://www.ebi.ac.uk/chembl/assay_report_card/CHEMBL1066153/  target=_blank>CHEMBL1066153</a>";;;;;;;;;-7;;;;;;;;;;;;"Morwick T, Büttner FH, Cywin CL, Dahmann G, Hickey E, Jakes S, Kaplita P, Kashem MA, Kerr S, Kugler S, Mao W, Marshall D, Paw Z, Shih CK, Wu F, Young E.: Hit to lead account of the discovery of bisbenzamide and related ureidobenzamide inhibitors of Rho kinase. J Med Chem, Volume 53 (2), 2010";ChEMBL
MM473028;MM473028;COc1ccc(C(=O)NCc2cccc(C(=O)NCCc3ccncc3)c2)cc1OC;ULXYUIOTBNWJFH-UHFFFAOYSA-N;425.53;2.75;44819015;;;CHEMBL598336;CACO;ECACO;25;0;"from A to B, <a href=https://www.ebi.ac.uk/chembl/assay_report_card/CHEMBL1066153/  target=_blank>CHEMBL1066153</a>";;;;;;;;;-6.3;;;;;;;;;;;;"Morwick T, Büttner FH, Cywin CL, Dahmann G, Hickey E, Jakes S, Kaplita P, Kashem MA, Kerr S, Kugler S, Mao W, Marshall D, Paw Z, Shih CK, Wu F, Young E.: Hit to lead account of the discovery of bisbenzamide and related ureidobenzamide inhibitors of Rho kinase. J Med Chem, Volume 53 (2), 2010";ChEMBL
MM476396;MM476396;Cn1nnc(-c2c(F)cc(Cl)cc2-c2cnc(CNC(=O)N(O)C3CCC(F)(F)CC3)c(F)c2)n1;;513.88;4.35;46216675;;;CHEMBL599285;CACO;ECACO;25;0;"from A to B, <a href=https://www.ebi.ac.uk/chembl/assay_report_card/CHEMBL1067014/  target=_blank>CHEMBL1067014</a>";;;;;;;;;-4.62;;;;;;;;;;;;"Schnatbaum K, Schaudt M, Stragies R, Pfeifer JR, Gibson C, Locardi E, Scharn D, Richter U, Kalkhof H, Dinkel K, Zischinsky G.: Novel small molecule bradykinin B1 receptor antagonists. Part 3: hydroxyurea derivatives. Bioorg Med Chem Lett, Volume 20 (3), 2010";ChEMBL
MM473025;MM473025;COc1ccc(C(=O)NCc2cccc(C(=O)Nc3ccc4c(c3)CN(C)CC4)c2)cc1OC;RUVNTEGYLMYXCF-UHFFFAOYSA-N;459.55;3.87;25057933;;;CHEMBL599791;CACO;ECACO;25;0;"from A to B, <a href=https://www.ebi.ac.uk/chembl/assay_report_card/CHEMBL1066153/  target=_blank>CHEMBL1066153</a>";;;;;;;;;-6.52;;;;;;;;;;;;"Morwick T, Büttner FH, Cywin CL, Dahmann G, Hickey E, Jakes S, Kaplita P, Kashem MA, Kerr S, Kugler S, Mao W, Marshall D, Paw Z, Shih CK, Wu F, Young E.: Hit to lead account of the discovery of bisbenzamide and related ureidobenzamide inhibitors of Rho kinase. J Med Chem, Volume 53 (2), 2010";ChEMBL
MM476397;MM476397;COc1cc(C(=O)Nc2nonc2NCc2ccc(-c3cc(Cl)cc(F)c3-c3noc(C)n3)cc2F)on1;WEVILATZZMPFBJ-UHFFFAOYSA-N;543.87;4.89;46216846;;;CHEMBL603668;CACO;ECACO;25;0;"from A to B, <a href=https://www.ebi.ac.uk/chembl/assay_report_card/CHEMBL1066284/  target=_blank>CHEMBL1066284</a>";;;;;;;;;-4.32;;;;;;;;;;;;"Zischinsky G, Stragies R, Schaudt M, Pfeifer JR, Gibson C, Locardi E, Scharn D, Richter U, Kalkhof H, Dinkel K, Schnatbaum K.: Novel small molecule bradykinin B1 receptor antagonists. Part 2: 5-membered diaminoheterocycles. Bioorg Med Chem Lett, Volume 20 (3), 2010";ChEMBL
MM473024;MM473024;COc1ccc(C(=O)NCc2cccc(C(=O)Nc3ccc(CN(C)C)cc3)c2)cc1C;ZHYPMHNQQRIWRP-UHFFFAOYSA-N;431.54;4.25;25054568;;;CHEMBL604249;CACO;ECACO;25;0;"from A to B, <a href=https://www.ebi.ac.uk/chembl/assay_report_card/CHEMBL1066153/  target=_blank>CHEMBL1066153</a>";;;;;;;;;-5.1;;;;;;;;;;;;"Morwick T, Büttner FH, Cywin CL, Dahmann G, Hickey E, Jakes S, Kaplita P, Kashem MA, Kerr S, Kugler S, Mao W, Marshall D, Paw Z, Shih CK, Wu F, Young E.: Hit to lead account of the discovery of bisbenzamide and related ureidobenzamide inhibitors of Rho kinase. J Med Chem, Volume 53 (2), 2010";ChEMBL
MM473026;MM473026;COc1ccc(C(=O)NCc2cccc(C(=O)Nc3ccc(CO)cc3)c2)cc1OC;OKHVXBABEFQOCR-UHFFFAOYSA-N;420.47;3.38;44819193;;;CHEMBL605360;CACO;ECACO;25;0;"from A to B, <a href=https://www.ebi.ac.uk/chembl/assay_report_card/CHEMBL1066153/  target=_blank>CHEMBL1066153</a>";;;;;;;;;-6.22;;;;;;;;;;;;"Morwick T, Büttner FH, Cywin CL, Dahmann G, Hickey E, Jakes S, Kaplita P, Kashem MA, Kerr S, Kugler S, Mao W, Marshall D, Paw Z, Shih CK, Wu F, Young E.: Hit to lead account of the discovery of bisbenzamide and related ureidobenzamide inhibitors of Rho kinase. J Med Chem, Volume 53 (2), 2010";ChEMBL
MM476401;MM476401;COc1ccc(CC(C)(C)NCC(O)c2cc(O)cc3c2OCC(=O)N3)cc1;;386.45;2.38;11504295;;;CHEMBL605846;CACO;ECACO;25;0;"from A to B, <a href=https://www.ebi.ac.uk/chembl/assay_report_card/CHEMBL1073765/  target=_blank>CHEMBL1073765</a>";;;;;;;;;-6.46;;;;;;;;;;;;"Bouyssou T, Hoenke C, Rudolf K, Lustenberger P, Pestel S, Sieger P, Lotz R, Heine C, Büttner FH, Schnapp A, Konetzki I.: Discovery of olodaterol, a novel inhaled beta2-adrenoceptor agonist with a 24 h bronchodilatory efficacy. Bioorg Med Chem Lett, Volume 20 (4), 2010";ChEMBL
MM476402;MM476402;Cc1c(Nc2c(C#N)cncc2C=CCCN2CCCC(N)C2)ccc2[nH]ccc12;KAJIDAUQCMSGGN-XQASTXFUSA-N;400.53;4.31;44160269;;;CHEMBL606245;CACO;ECACO;25;0;"from A to B, <a href=https://www.ebi.ac.uk/chembl/assay_report_card/CHEMBL1067378/  target=_blank>CHEMBL1067378</a>";;;;;;;;;-6.3;;;;;;;;;;;;"Tumey LN, Bhagirath N, Brennan A, Brooijmans N, Lee J, Yang X, Boschelli DH.: 5-Vinyl-3-pyridinecarbonitrile inhibitors of PKCtheta: optimization of enzymatic and functional activity. Bioorg Med Chem, Volume 17 (23), 2009";ChEMBL
MM472279;MM472279;COc1ccc(-n2cc(-c3ccc4c(c3)C(=O)NCC4)c(N)n2)cc1;ZBIFKWQZJMJWRU-UHFFFAOYSA-N;334.38;2.42;46231477;;;CHEMBL610780;CACO;ECACO;25;0;"from A to B, <a href=https://www.ebi.ac.uk/chembl/assay_report_card/CHEMBL1071095/  target=_blank>CHEMBL1071095</a>";;;;;;;;;-4.32;;;;;;;;;;;;"Velcicky J, Feifel R, Hawtin S, Heng R, Huppertz C, Koch G, Kroemer M, Moebitz H, Revesz L, Scheufler C, Schlapbach A.: Novel 3-aminopyrazole inhibitors of MK-2 discovered by scaffold hopping strategy. Bioorg Med Chem Lett, Volume 20 (3), 2010";ChEMBL
Atomoxetine;MM00449;CNCCC(Oc1ccccc1C)c1ccccc1;VHGCDTVCOLNTBX-QGZVFWFLSA-N;255.36;3.72;54841;DB00289;;CHEMBL641;CACO;ECACO;25;0;"from A to B, <a href=https://www.ebi.ac.uk/chembl/assay_report_card/CHEMBL948483/  target=_blank>CHEMBL948483</a>";;;;;;;;;-4.36;;;;;;;;;;;;"Dyck B, Tamiya J, Jovic F, Pick RR, Bradbury MJ, O'Brien J, Wen J, Johns M, Madan A, Fleck BA, Foster AC, Li B, Zhang M, Tran JA, Vickers T, Grey J, Saunders J, Chen C.: Characterization of thien-2-yl 1S,2R-milnacipran analogues as potent norepinephrine/serotonin transporter inhibitors for the treatment of neuropathic pain. J Med Chem, Volume 51 (22), 2008";ChEMBL
D-mannitol;MM00386;OCC(O)C(O)C(O)C(O)CO;FBPFZTCFMRRESA-KVTDHHQDSA-N;182.17;-3.59;6251;DB00742;MTL;CHEMBL689;CACO;ECACO;25;0;"from A to B, <a href=https://www.ebi.ac.uk/chembl/assay_report_card/CHEMBL1108561/  target=_blank>CHEMBL1108561</a>";;;;;;;;;-6.15;;;;;;;;;;;;"Burns CJ, Bourke DG, Andrau L, Bu X, Charman SA, Donohue AC, Fantino E, Farrugia M, Feutrill JT, Joffe M, Kling MR, Kurek M, Nero TL, Nguyen T, Palmer JT, Phillips I, Shackleford DM, Sikanyika H, Styles M, Su S, Treutlein H, Zeng J, Wilks AF.: Phenylaminopyrimidines as inhibitors of Janus kinases (JAKs). Bioorg Med Chem Lett, Volume 19 (20), 2009";ChEMBL
Verapamil;MM00585;COc1ccc(CCN(C)CCCC(C#N)(c2ccc(OC)c(OC)c2)C(C)C)cc1OC;SGTNSNPWRIOYBX-UHFFFAOYSA-N;454.61;5.09;2520;DB00661;;CHEMBL6966;CACO;ECACO;25;0;"from A to B, <a href=https://www.ebi.ac.uk/chembl/assay_report_card/CHEMBL921232/  target=_blank>CHEMBL921232</a>";;;;;;;;;-4.23;;;;;;;;;;;;"Colabufo NA, Berardi F, Cantore M, Perrone MG, Contino M, Inglese C, Niso M, Perrone R, Azzariti A, Simone GM, Porcelli L, Paradiso A.: Small P-gp modulating molecules: SAR studies on tetrahydroisoquinoline derivatives. Bioorg Med Chem, Volume 16 (1), 2008";ChEMBL
Verapamil;MM00585;COc1ccc(CCN(C)CCCC(C#N)(c2ccc(OC)c(OC)c2)C(C)C)cc1OC;SGTNSNPWRIOYBX-UHFFFAOYSA-N;454.61;5.09;2520;DB00661;;CHEMBL6966;CACO;ECACO;25;0;"from A to B, <a href=https://www.ebi.ac.uk/chembl/assay_report_card/CHEMBL923495/  target=_blank>CHEMBL923495</a>";;;;;;;;;-4.23;;;;;;;;;;;;"Colabufo NA, Berardi F, Cantore M, Perrone MG, Contino M, Inglese C, Niso M, Perrone R, Azzariti A, Simone GM, Paradiso A.: 4-Biphenyl and 2-naphthyl substituted 6,7-dimethoxytetrahydroisoquinoline derivatives as potent P-gp modulators. Bioorg Med Chem, Volume 16 (7), 2008";ChEMBL
MM476420;MM476420;CCc1nc2c(C)cc(C)nc2n1Cc1ccc(-c2c(-c3nn[nH]n3)cnc3ccccc23)cc1;;460.55;5.05;10344235;;;CHEMBL86247;CACO;ECACO;25;0;"from A to B, <a href=https://www.ebi.ac.uk/chembl/assay_report_card/CHEMBL908920/  target=_blank>CHEMBL908920</a>";;;;;;;;;-7;;;;;;;;;;;;"Cappelli A, Pericot Mohr Gl, Giuliani G, Galeazzi S, Anzini M, Mennuni L, Ferrari F, Makovec F, Kleinrath EM, Langer T, Valoti M, Giorgi G, Vomero S.: Further studies on imidazo[4,5-b]pyridine AT1 angiotensin II receptor antagonists. Effects of the transformation of the 4-phenylquinoline backbone into 4-phenylisoquinolinone or 1-phenylindene scaffolds. J Med Chem, Volume 49 (22), 2006";ChEMBL
MM476420;MM476420;CCc1nc2c(C)cc(C)nc2n1Cc1ccc(-c2c(-c3nn[nH]n3)cnc3ccccc23)cc1;;460.55;5.05;10344235;;;CHEMBL86247;CACO;ECACO;25;0;"from A to B, <a href=https://www.ebi.ac.uk/chembl/assay_report_card/CHEMBL925711/  target=_blank>CHEMBL925711</a>";;;;;;;;;-7;;;;;;;;;;;;"Cappelli A, Nannicini C, Gallelli A, Giuliani G, Valenti S, Mohr Gl, Anzini M, Mennuni L, Ferrari F, Caselli G, Giordani A, Peris W, Makovec F, Giorgi G, Vomero S.: Design, synthesis, and biological evaluation of AT1 angiotensin II receptor antagonists based on the pyrazolo[3,4-b]pyridine and related heteroaromatic bicyclic systems. J Med Chem, Volume 51 (7), 2008";ChEMBL
MM472953;MM472953;COc1ccc(-c2cc(=O)c3c(O)cc(O)cc3o2)cc1O;MBNGWHIJMBWFHU-UHFFFAOYSA-N;300.27;2.59;;;;;CACO;ECACO;25;0;"from A to B, <a href=https://www.ebi.ac.uk/chembl/assay_report_card/CHEMBL988136/  target=_blank>CHEMBL988136</a>";;;;;;;;;-4.12;;;;;;;;;;;;"Serra H, Mendes T, Bronze MR, Simplício AL.: Prediction of intestinal absorption and metabolism of pharmacologically active flavones and flavanones. Bioorg Med Chem, Volume 16 (7), 2008";ChEMBL
Fexofenadine;MM00735;CC(C)(C(=O)O)c1ccc(C(O)CCCN2CCC(C(O)(c3ccccc3)c3ccccc3)CC2)cc1;RWTNPBWLLIMQHL-UHFFFAOYSA-N;501.67;5.51;3348;DB00950;;CHEMBL914;CACO;ECACO;25;0;"from A to B, <a href=https://www.ebi.ac.uk/chembl/assay_report_card/CHEMBL1059634/  target=_blank>CHEMBL1059634</a>";;;;;;;;;-6.4;;;;;;;;;;;;"Kubota K, Kurebayashi H, Miyachi H, Tobe M, Onishi M, Isobe Y.: Synthesis and structure-activity relationships of phenothiazine carboxylic acids having pyrimidine-dione as novel histamine H(1) antagonists. Bioorg Med Chem Lett, Volume 19 (10), 2009";ChEMBL
Naringenin;MM00673;O=C1CC(c2ccc(O)cc2)Oc2cc(O)cc(O)c21;FTVWIRXFELQLPI-UHFFFAOYSA-N;272.26;2.51;439246;DB03467;NAR;CHEMBL9352;CACO;ECACO;25;0;"from A to B, <a href=https://www.ebi.ac.uk/chembl/assay_report_card/CHEMBL988136/  target=_blank>CHEMBL988136</a>";;;;;;;;;-4.42;;;;;;;;;;;;"Serra H, Mendes T, Bronze MR, Simplício AL.: Prediction of intestinal absorption and metabolism of pharmacologically active flavones and flavanones. Bioorg Med Chem, Volume 16 (7), 2008";ChEMBL
MM474576;MM474576;O=C(CCCCCCC(=O)Nc1ccccc1)NO;;264.33;2.47;;;;CHEMBL98;CACO;ECACO;25;0;"from A to B, <a href=https://www.ebi.ac.uk/chembl/assay_report_card/CHEMBL1119918/  target=_blank>CHEMBL1119918</a>";;;;;;;;;-5.77;;;;;;;;;;;;"Wang H, Lim ZY, Zhou Y, Ng M, Lu T, Lee K, Sangthongpitag K, Goh KC, Wang X, Wu X, Khng HH, Goh SK, Ong WC, Bonday Z, Sun ET.: Acylurea connected straight chain hydroxamates as novel histone deacetylase inhibitors: Synthesis, SAR, and in vivo antitumor activity. Bioorg Med Chem Lett, Volume 20 (11), 2010";ChEMBL
MM476428;MM476428;CN(C)C(=O)Cn1c(-c2ccoc2)c(C2CCCCC2)c2ccc(C(=O)O)cc21;WMWCGYUJKNEVBP-UHFFFAOYSA-N;394.47;4.74;6480931;;;CHEMBL190558;CACO;ECACO;25;0;"from A to B, ph = 7.4, <a href=https://www.ebi.ac.uk/chembl/assay_report_card/CHEMBL1067063/  target=_blank>CHEMBL1067063</a>";;;;;;;;;-4.89;;;;;;;;;;;;"Beaulieu PL, Jolicoeur E, Gillard J, Brochu C, Coulombe R, Dansereau N, Duan J, Garneau M, Jakalian A, Kühn P, Lagacé L, LaPlante S, McKercher G, Perrault S, Poirier M, Poupart MA, Stammers T, Thauvette L, Thavonekham B, Kukolj G.: N-Acetamideindolecarboxylic acid allosteric 'finger-loop' inhibitors of the hepatitis C virus NS5B polymerase: discovery and initial optimization studies. Bioorg Med Chem Lett, Volume 20 (3), 2010";ChEMBL
MM476429;MM476429;CCCC(CC1(C(=O)NC2(CO)Cc3ccccc3C2)CCCC1)C(=O)O;;373.49;3.08;9969592;;;CHEMBL212526;CACO;ECACO;25;0;"from A to B, ph = 7.4, <a href=https://www.ebi.ac.uk/chembl/assay_report_card/CHEMBL862878/  target=_blank>CHEMBL862878</a>";;;;;;;;;-5.22;;;;;;;;;;;;"Pryde DC, Maw GN, Planken S, Platts MY, Sanderson V, Corless M, Stobie A, Barber CG, Russell R, Foster L, Barker L, Wayman C, Van Der Graaf P, Stacey P, Morren D, Kohl C, Beaumont K, Coggon S, Tute M.: Novel selective inhibitors of neutral endopeptidase for the treatment of female sexual arousal disorder. Synthesis and activity of functionalized glutaramides. J Med Chem, Volume 49 (14), 2006";ChEMBL
MM476430;MM476430;COCCC(CC1(C(=O)NCCCc2ccc(F)cc2)CCCC1)C(=O)O;MPWCDZKWKGSZCI-QGZVFWFLSA-N;379.47;3.56;44422283;;;CHEMBL224670;CACO;ECACO;25;0;"from A to B, ph = 7.4, <a href=https://www.ebi.ac.uk/chembl/assay_report_card/CHEMBL914047/  target=_blank>CHEMBL914047</a>";;;;;;;;;-4.92;;;;;;;;;;;;"Pryde DC, Cook AS, Burring DJ, Jones LH, Foll S, Platts MY, Sanderson V, Corless M, Stobie A, Middleton DS, Foster L, Barker L, Van Der Graaf P, Stacey P, Kohl C, Coggon S, Beaumont K.: Novel selective inhibitors of neutral endopeptidase for the treatment of female sexual arousal disorder. Bioorg Med Chem, Volume 15 (1), 2007";ChEMBL
MM476431;MM476431;COCCC(CC1(C(=O)NC2(CO)Cc3ccccc3C2)CCCC1)C(=O)O;;389.49;2.32;10110899;;;CHEMBL225084;CACO;ECACO;25;0;"from A to B, ph = 7.4, <a href=https://www.ebi.ac.uk/chembl/assay_report_card/CHEMBL914047/  target=_blank>CHEMBL914047</a>";;;;;;;;;-6;;;;;;;;;;;;"Pryde DC, Cook AS, Burring DJ, Jones LH, Foll S, Platts MY, Sanderson V, Corless M, Stobie A, Middleton DS, Foster L, Barker L, Van Der Graaf P, Stacey P, Kohl C, Coggon S, Beaumont K.: Novel selective inhibitors of neutral endopeptidase for the treatment of female sexual arousal disorder. Bioorg Med Chem, Volume 15 (1), 2007";ChEMBL
MM476432;MM476432;COCCC(CC1(C(=O)NCCCc2ccc(Cl)cc2)CCCC1)C(=O)O;;395.93;4.08;15978653;;;CHEMBL225085;CACO;ECACO;25;0;"from A to B, ph = 7.4, <a href=https://www.ebi.ac.uk/chembl/assay_report_card/CHEMBL914047/  target=_blank>CHEMBL914047</a>";;;;;;;;;-4.92;;;;;;;;;;;;"Pryde DC, Cook AS, Burring DJ, Jones LH, Foll S, Platts MY, Sanderson V, Corless M, Stobie A, Middleton DS, Foster L, Barker L, Van Der Graaf P, Stacey P, Kohl C, Coggon S, Beaumont K.: Novel selective inhibitors of neutral endopeptidase for the treatment of female sexual arousal disorder. Bioorg Med Chem, Volume 15 (1), 2007";ChEMBL
MM475543;MM475543;CC(N)CC(=O)NC(CCCCN)CC(=O)O;;245.32;-0.19;23630629;;;CHEMBL244755;CACO;ECACO;25;0;"from A to B, ph = 7.4, <a href=https://www.ebi.ac.uk/chembl/assay_report_card/CHEMBL896861/  target=_blank>CHEMBL896861</a>";;;;;;;;;-7.36;;;;;;;;;;;;"Hubatsch I, Arvidsson PI, Seebach D, Luthman K, Artursson P.: Beta- and gamma-di- and tripeptides as potential substrates for the oligopeptide transporter hPepT1. J Med Chem, Volume 50 (21), 2007";ChEMBL
MM475543;MM475543;CC(N)CC(=O)NC(CCCCN)CC(=O)O;;245.32;-0.19;23630629;;;CHEMBL244755;CACO;ECACO;25;0;"from A to B, ph = 7.4, <a href=https://www.ebi.ac.uk/chembl/assay_report_card/CHEMBL896863/  target=_blank>CHEMBL896863</a>";;;;;;;;;-7.54;;;;;;;;;;;;"Hubatsch I, Arvidsson PI, Seebach D, Luthman K, Artursson P.: Beta- and gamma-di- and tripeptides as potential substrates for the oligopeptide transporter hPepT1. J Med Chem, Volume 50 (21), 2007";ChEMBL
MM476434;MM476434;Cc1oc(-c2ccccc2)nc1CCOc1cccc(CN(CC(=O)O)Cc2ccccc2)c1;;456.54;5.36;16739272;;;CHEMBL246270;CACO;ECACO;25;0;"from A to B, ph = 5.5, <a href=https://www.ebi.ac.uk/chembl/assay_report_card/CHEMBL886586/  target=_blank>CHEMBL886586</a>";;;;;;;;;-4.6;;;;;;;;;;;;"Devasthale PV, Chen S, Jeon Y, Qu F, Ryono DE, Wang W, Zhang H, Cheng L, Farrelly D, Golla R, Grover G, Ma Z, Moore L, Seethala R, Sun W, Doweyko AM, Chandrasena G, Sleph P, Hariharan N, Cheng PT.: Discovery of tertiary aminoacids as dual PPARalpha/gamma agonists-I. Bioorg Med Chem Lett, Volume 17 (8), 2007";ChEMBL
MM476434;MM476434;Cc1oc(-c2ccccc2)nc1CCOc1cccc(CN(CC(=O)O)Cc2ccccc2)c1;;456.54;5.36;16739272;;;CHEMBL246270;CACO;ECACO;25;0;"from A to B, ph = 7.4, <a href=https://www.ebi.ac.uk/chembl/assay_report_card/CHEMBL886587/  target=_blank>CHEMBL886587</a>";;;;;;;;;-4.65;;;;;;;;;;;;"Devasthale PV, Chen S, Jeon Y, Qu F, Ryono DE, Wang W, Zhang H, Cheng L, Farrelly D, Golla R, Grover G, Ma Z, Moore L, Seethala R, Sun W, Doweyko AM, Chandrasena G, Sleph P, Hariharan N, Cheng PT.: Discovery of tertiary aminoacids as dual PPARalpha/gamma agonists-I. Bioorg Med Chem Lett, Volume 17 (8), 2007";ChEMBL
MM476438;MM476438;CCCC(CC1(C(=O)Nc2nnc(CC)s2)CCCC1)C(=O)O;;339.46;3.49;9949799;;;CHEMBL378763;CACO;ECACO;25;0;"from A to B, ph = 7.4, <a href=https://www.ebi.ac.uk/chembl/assay_report_card/CHEMBL914047/  target=_blank>CHEMBL914047</a>";;;;;;;;;-5.05;;;;;;;;;;;;"Pryde DC, Cook AS, Burring DJ, Jones LH, Foll S, Platts MY, Sanderson V, Corless M, Stobie A, Middleton DS, Foster L, Barker L, Van Der Graaf P, Stacey P, Kohl C, Coggon S, Beaumont K.: Novel selective inhibitors of neutral endopeptidase for the treatment of female sexual arousal disorder. Bioorg Med Chem, Volume 15 (1), 2007";ChEMBL
MM476438;MM476438;CCCC(CC1(C(=O)Nc2nnc(CC)s2)CCCC1)C(=O)O;;339.46;3.49;9949799;;;CHEMBL378763;CACO;ECACO;25;0;"from A to B, ph = 7.4, <a href=https://www.ebi.ac.uk/chembl/assay_report_card/CHEMBL862878/  target=_blank>CHEMBL862878</a>";;;;;;;;;-5.05;;;;;;;;;;;;"Pryde DC, Maw GN, Planken S, Platts MY, Sanderson V, Corless M, Stobie A, Barber CG, Russell R, Foster L, Barker L, Wayman C, Van Der Graaf P, Stacey P, Morren D, Kohl C, Beaumont K, Coggon S, Tute M.: Novel selective inhibitors of neutral endopeptidase for the treatment of female sexual arousal disorder. Synthesis and activity of functionalized glutaramides. J Med Chem, Volume 49 (14), 2006";ChEMBL
MM476440;MM476440;COCCC(CC1(C(=O)NC2CC2c2ccc(OC)cc2)CCCC1)C(=O)O;WAFMGROHMCCENJ-NZSAHSFTSA-N;389.49;3.36;44422282;;;CHEMBL389061;CACO;ECACO;25;0;"from A to B, ph = 7.4, <a href=https://www.ebi.ac.uk/chembl/assay_report_card/CHEMBL914047/  target=_blank>CHEMBL914047</a>";;;;;;;;;-5.15;;;;;;;;;;;;"Pryde DC, Cook AS, Burring DJ, Jones LH, Foll S, Platts MY, Sanderson V, Corless M, Stobie A, Middleton DS, Foster L, Barker L, Van Der Graaf P, Stacey P, Kohl C, Coggon S, Beaumont K.: Novel selective inhibitors of neutral endopeptidase for the treatment of female sexual arousal disorder. Bioorg Med Chem, Volume 15 (1), 2007";ChEMBL
MM475908;MM475908;CCCC(CC(C)NC(=O)C(C)CC(NC(=O)C(Cc1ccccc1)CC(C)N)C(C)C)C(=O)O;;489.7;4.15;23631917;;;CHEMBL397682;CACO;ECACO;25;0;"from A to B, ph = 7.4, <a href=https://www.ebi.ac.uk/chembl/assay_report_card/CHEMBL896861/  target=_blank>CHEMBL896861</a>";;;;;;;;;-7.68;;;;;;;;;;;;"Hubatsch I, Arvidsson PI, Seebach D, Luthman K, Artursson P.: Beta- and gamma-di- and tripeptides as potential substrates for the oligopeptide transporter hPepT1. J Med Chem, Volume 50 (21), 2007";ChEMBL
MM475908;MM475908;CCCC(CC(C)NC(=O)C(C)CC(NC(=O)C(Cc1ccccc1)CC(C)N)C(C)C)C(=O)O;;489.7;4.15;23631917;;;CHEMBL397682;CACO;ECACO;25;0;"from A to B, ph = 7.4, <a href=https://www.ebi.ac.uk/chembl/assay_report_card/CHEMBL896863/  target=_blank>CHEMBL896863</a>";;;;;;;;;-7.28;;;;;;;;;;;;"Hubatsch I, Arvidsson PI, Seebach D, Luthman K, Artursson P.: Beta- and gamma-di- and tripeptides as potential substrates for the oligopeptide transporter hPepT1. J Med Chem, Volume 50 (21), 2007";ChEMBL
MM476445;MM476445;COc1ccc(CCN2C(=O)N(NS(C)(=O)=O)C[C@H]2c2ccc(OC)cc2)cc1;;419.5;2.19;;;;CHEMBL569185;CACO;ECACO;25;0;"from A to B, ph = 7.4, <a href=https://www.ebi.ac.uk/chembl/assay_report_card/CHEMBL1039590/  target=_blank>CHEMBL1039590</a>";;;;;;;;;-4.4;;;;;;;;;;;;"Blass BE, Fensome A, Trybulski E, Magolda R, Gardell SJ, Liu K, Samuel M, Feingold I, Huselton C, Jackson CM, Djandjighian L, Ho D, Hennan J, Janusz JM.: Selective Kv1.5 blockers: development of (R)-1-(methylsulfonylamino)-3-[2-(4-methoxyphenyl)ethyl]-4-(4-methoxyphenyl)-2-imidazolidinone (KVI-020/WYE-160020) as a potential treatment for atrial arrhythmia. J Med Chem, Volume 52 (21), 2009";ChEMBL
MM476448;MM476448;O=C(O)c1ccc2c(C3CCCCC3)c(-c3ccoc3)n(CC(=O)N3CCC(N4CCCC4)CC3)c2c1;AXCDCTDPQGHPHW-UHFFFAOYSA-N;503.64;5.73;11375542;;;CHEMBL600222;CACO;ECACO;25;0;"from A to B, ph = 7.4, <a href=https://www.ebi.ac.uk/chembl/assay_report_card/CHEMBL1067063/  target=_blank>CHEMBL1067063</a>";;;;;;;;;-5.85;;;;;;;;;;;;"Beaulieu PL, Jolicoeur E, Gillard J, Brochu C, Coulombe R, Dansereau N, Duan J, Garneau M, Jakalian A, Kühn P, Lagacé L, LaPlante S, McKercher G, Perrault S, Poirier M, Poupart MA, Stammers T, Thauvette L, Thavonekham B, Kukolj G.: N-Acetamideindolecarboxylic acid allosteric 'finger-loop' inhibitors of the hepatitis C virus NS5B polymerase: discovery and initial optimization studies. Bioorg Med Chem Lett, Volume 20 (3), 2010";ChEMBL
MM476449;MM476449;O=C(O)c1ccc2c(C3CCCCC3)c(-c3cccs3)n(CC(=O)N3CCC(N4CCCC4)CC3)c2c1;UYKGLIHNWJZRAE-UHFFFAOYSA-N;519.71;6.2;10256099;;;CHEMBL600613;CACO;ECACO;25;0;"from A to B, ph = 7.4, <a href=https://www.ebi.ac.uk/chembl/assay_report_card/CHEMBL1067063/  target=_blank>CHEMBL1067063</a>";;;;;;;;;-6.7;;;;;;;;;;;;"Beaulieu PL, Jolicoeur E, Gillard J, Brochu C, Coulombe R, Dansereau N, Duan J, Garneau M, Jakalian A, Kühn P, Lagacé L, LaPlante S, McKercher G, Perrault S, Poirier M, Poupart MA, Stammers T, Thauvette L, Thavonekham B, Kukolj G.: N-Acetamideindolecarboxylic acid allosteric 'finger-loop' inhibitors of the hepatitis C virus NS5B polymerase: discovery and initial optimization studies. Bioorg Med Chem Lett, Volume 20 (3), 2010";ChEMBL
MM476450;MM476450;CCN1CCN(C(=O)Cn2c(-c3ccoc3)c(C3CCCCC3)c3ccc(C(=O)O)cc32)CC1;RUNGOSGEIDQARZ-UHFFFAOYSA-N;463.58;4.81;46232544;;;CHEMBL601030;CACO;ECACO;25;0;"from A to B, ph = 7.4, <a href=https://www.ebi.ac.uk/chembl/assay_report_card/CHEMBL1067063/  target=_blank>CHEMBL1067063</a>";;;;;;;;;-5.19;;;;;;;;;;;;"Beaulieu PL, Jolicoeur E, Gillard J, Brochu C, Coulombe R, Dansereau N, Duan J, Garneau M, Jakalian A, Kühn P, Lagacé L, LaPlante S, McKercher G, Perrault S, Poirier M, Poupart MA, Stammers T, Thauvette L, Thavonekham B, Kukolj G.: N-Acetamideindolecarboxylic acid allosteric 'finger-loop' inhibitors of the hepatitis C virus NS5B polymerase: discovery and initial optimization studies. Bioorg Med Chem Lett, Volume 20 (3), 2010";ChEMBL
MM476451;MM476451;CC(C)N1CCN(C(=O)Cn2c(-c3ccoc3)c(C3CCCCC3)c3ccc(C(=O)O)cc32)CC1;OLJMSYJNZOXIEK-UHFFFAOYSA-N;477.61;5.2;46232545;;;CHEMBL601031;CACO;ECACO;25;0;"from A to B, ph = 7.4, <a href=https://www.ebi.ac.uk/chembl/assay_report_card/CHEMBL1067063/  target=_blank>CHEMBL1067063</a>";;;;;;;;;-5.15;;;;;;;;;;;;"Beaulieu PL, Jolicoeur E, Gillard J, Brochu C, Coulombe R, Dansereau N, Duan J, Garneau M, Jakalian A, Kühn P, Lagacé L, LaPlante S, McKercher G, Perrault S, Poirier M, Poupart MA, Stammers T, Thauvette L, Thavonekham B, Kukolj G.: N-Acetamideindolecarboxylic acid allosteric 'finger-loop' inhibitors of the hepatitis C virus NS5B polymerase: discovery and initial optimization studies. Bioorg Med Chem Lett, Volume 20 (3), 2010";ChEMBL
MM476452;MM476452;CN1CCN(C(=O)Cn2c(-c3ccoc3)c(C3CCCCC3)c3ccc(C(=O)O)cc32)CC1;PVPJOOULWFAITO-UHFFFAOYSA-N;449.55;4.42;46232543;;;CHEMBL602142;CACO;ECACO;25;0;"from A to B, ph = 7.4, <a href=https://www.ebi.ac.uk/chembl/assay_report_card/CHEMBL1067063/  target=_blank>CHEMBL1067063</a>";;;;;;;;;-5.77;;;;;;;;;;;;"Beaulieu PL, Jolicoeur E, Gillard J, Brochu C, Coulombe R, Dansereau N, Duan J, Garneau M, Jakalian A, Kühn P, Lagacé L, LaPlante S, McKercher G, Perrault S, Poirier M, Poupart MA, Stammers T, Thauvette L, Thavonekham B, Kukolj G.: N-Acetamideindolecarboxylic acid allosteric 'finger-loop' inhibitors of the hepatitis C virus NS5B polymerase: discovery and initial optimization studies. Bioorg Med Chem Lett, Volume 20 (3), 2010";ChEMBL
MM476453;MM476453;CN1CCC(N(C)C(=O)Cn2c(-c3ccoc3)c(C3CCCCC3)c3ccc(C(=O)O)cc32)CC1;PDPAKDRWKAZOJT-UHFFFAOYSA-N;477.61;5.2;46232428;;;CHEMBL604945;CACO;ECACO;25;0;"from A to B, ph = 7.4, <a href=https://www.ebi.ac.uk/chembl/assay_report_card/CHEMBL1067063/  target=_blank>CHEMBL1067063</a>";;;;;;;;;-6.7;;;;;;;;;;;;"Beaulieu PL, Jolicoeur E, Gillard J, Brochu C, Coulombe R, Dansereau N, Duan J, Garneau M, Jakalian A, Kühn P, Lagacé L, LaPlante S, McKercher G, Perrault S, Poirier M, Poupart MA, Stammers T, Thauvette L, Thavonekham B, Kukolj G.: N-Acetamideindolecarboxylic acid allosteric 'finger-loop' inhibitors of the hepatitis C virus NS5B polymerase: discovery and initial optimization studies. Bioorg Med Chem Lett, Volume 20 (3), 2010";ChEMBL
MM476454;MM476454;O=C(O)c1ccc2c(C3CCCCC3)c(-c3ccoc3)n(CC(=O)N3CCOCC3)c2c1;KDYXOWBSSDOZCK-UHFFFAOYSA-N;436.51;4.51;21105257;;;CHEMBL606202;CACO;ECACO;25;0;"from A to B, ph = 7.4, <a href=https://www.ebi.ac.uk/chembl/assay_report_card/CHEMBL1067063/  target=_blank>CHEMBL1067063</a>";;;;;;;;;-5.28;;;;;;;;;;;;"Beaulieu PL, Jolicoeur E, Gillard J, Brochu C, Coulombe R, Dansereau N, Duan J, Garneau M, Jakalian A, Kühn P, Lagacé L, LaPlante S, McKercher G, Perrault S, Poirier M, Poupart MA, Stammers T, Thauvette L, Thavonekham B, Kukolj G.: N-Acetamideindolecarboxylic acid allosteric 'finger-loop' inhibitors of the hepatitis C virus NS5B polymerase: discovery and initial optimization studies. Bioorg Med Chem Lett, Volume 20 (3), 2010";ChEMBL
Verapamil;MM00585;COc1ccc(CCN(C)CCCC(C#N)(c2ccc(OC)c(OC)c2)C(C)C)cc1OC;SGTNSNPWRIOYBX-UHFFFAOYSA-N;454.61;5.09;2520;DB00661;;CHEMBL6966;CACO;ECACO;25;0;"from A to B, ph = 7.4, <a href=https://www.ebi.ac.uk/chembl/assay_report_card/CHEMBL933017/  target=_blank>CHEMBL933017</a>";;;;;;;;;-4.92;;;;;;;;;;;;"Colabufo NA, Abate C, Contino M, Inglese C, Niso M, Berardi F, Perrone R.: PB183, a sigma receptor ligand, as a potential PET probe for the imaging of prostate adenocarcinoma. Bioorg Med Chem Lett, Volume 18 (6), 2008";ChEMBL
MM476455;MM476455;COc1cccc2c(CCCN3CCN(C4CCCCC4)CC3)cccc12;OAXSBEWCGPXYFN-UHFFFAOYSA-N;366.55;4.73;11428574;;;CHEMBL75286;CACO;ECACO;25;0;"from A to B, ph = 7.4, <a href=https://www.ebi.ac.uk/chembl/assay_report_card/CHEMBL933017/  target=_blank>CHEMBL933017</a>";;;;;;;;;-5.2;;;;;;;;;;;;"Colabufo NA, Abate C, Contino M, Inglese C, Niso M, Berardi F, Perrone R.: PB183, a sigma receptor ligand, as a potential PET probe for the imaging of prostate adenocarcinoma. Bioorg Med Chem Lett, Volume 18 (6), 2008";ChEMBL
MM476456;MM476456;CS(=O)(=O)Nc1ccc2c(c1)S(=O)(=O)N=C(C1=C(O)C3C4CCC(C4)C3N(Cc3ccc(F)cc3)C1=O)N2;DEKOYVOWOVJMPM-UHFFFAOYSA-N;560.63;2.98;135916026;;;CHEMBL1079753;CACO;ECACO;25;0;"from A to B, mean logPerm value, <a href=https://www.ebi.ac.uk/chembl/assay_report_card/CHEMBL1112197/  target=_blank>CHEMBL1112197</a>";;;;;;;;;-5.57;;;;;;;;;;;;"Ruebsam F, Murphy DE, Tran CV, Li LS, Zhao J, Dragovich PS, McGuire HM, Xiang AX, Sun Z, Ayida BK, Blazel JK, Kim SH, Zhou Y, Han Q, Kissinger CR, Webber SE, Showalter RE, Shah AM, Tsan M, Patel RA, Thompson PA, Lebrun LA, Hou HJ, Kamran R, Sergeeva MV, Bartkowski DM, Nolan TG, Norris DA, Khandurina J, Brooks J, Okamoto E, Kirkovsky L.: Discovery of tricyclic 5,6-dihydro-1H-pyridin-2-ones as novel, potent, and orally bioavailable inhibitors of HCV NS5B polymerase. Bioorg Med Chem Lett, Volume 19 (22), 2009";ChEMBL
MM476457;MM476457;CCc1nc(N)nc(N)c1-c1ccc2c(c1)N(CCCOC)C(=O)C(C)(c1cc(F)cc(F)c1)O2;UAXNNGUDPWZOKX-UHFFFAOYSA-N;483.52;3.83;;;;;CACO;ECACO;25;0;"from A to B, mean logPerm value, <a href=https://www.ebi.ac.uk/chembl/assay_report_card/CHEMBL898578/  target=_blank>CHEMBL898578</a>";;;;;;;;;-4.53;;;;;;;;;;;;"Powell NA, Ciske FL, Cai C, Holsworth DD, Mennen K, Van Huis CA, Jalaie M, Day J, Mastronardi M, McConnell P, Mochalkin I, Zhang E, Ryan MJ, Bryant J, Collard W, Ferreira S, Gu C, Collins R, Edmunds JJ.: Rational design of 6-(2,4-diaminopyrimidinyl)-1,4-benzoxazin-3-ones as small molecule renin inhibitors. Bioorg Med Chem, Volume 15 (17), 2007";ChEMBL
MM476460;MM476460;Cc1cc(O)cc(C)c1CC(N)C(=O)N1CCCC1C(=O)NC(Cc1c[nH]c2ccccc12)C(=O)NC(Cc1ccccc1)C(N)=O;GQKWRERWSHSLFH-MCEBTLFFSA-N;638.77;2.29;11983337;;;CHEMBL412923;CACO;ECACO;25;0;"from A to B, mean logPerm value, <a href=https://www.ebi.ac.uk/chembl/assay_report_card/CHEMBL955665/  target=_blank>CHEMBL955665</a>";;;;;;;;;-7;;;;;;;;;;;;"Koda Y, Del Borgo M, Wessling ST, Lazarus LH, Okada Y, Toth I, Blanchfield JT.: Synthesis and in vitro evaluation of a library of modified endomorphin 1 peptides. Bioorg Med Chem, Volume 16 (11), 2008";ChEMBL
MM476461;MM476461;CCCCCCC(N)C(=O)NC(Cc1c(C)cc(O)cc1C)C(=O)N1CCCC1C(=O)NC(Cc1c[nH]c2ccccc12)C(=O)NC(Cc1ccccc1)C(N)=O;JSEDTOFZZLNMQM-LUIGENPXSA-N;779.98;3.75;44593682;;;CHEMBL509528;CACO;ECACO;25;0;"from A to B, mean logPerm value, <a href=https://www.ebi.ac.uk/chembl/assay_report_card/CHEMBL955665/  target=_blank>CHEMBL955665</a>";;;;;;;;;-6.42;;;;;;;;;;;;"Koda Y, Del Borgo M, Wessling ST, Lazarus LH, Okada Y, Toth I, Blanchfield JT.: Synthesis and in vitro evaluation of a library of modified endomorphin 1 peptides. Bioorg Med Chem, Volume 16 (11), 2008";ChEMBL
MM475129;MM475129;Cc1ccc(CCNc2ncc(C)n(CC(=O)N(C)CCON=C(N)N)c2=O)cc1;;415.5;0.39;46881272;;;CHEMBL1077101;CACO;ECACO;25;0;"from B to A, <a href=https://www.ebi.ac.uk/chembl/assay_report_card/CHEMBL1100523/  target=_blank>CHEMBL1100523</a>";;;;;;;;;-6.22;;;;;;;;;;;;"Lu T, Markotan T, Ballentine SK, Giardino EC, Spurlino J, Crysler CS, Brown K, Maryanoff BE, Tomczuk BE, Damiano BP, Shukla U, End D, Andrade-Gordon P, Bone RF, Player MR.: Discovery and clinical evaluation of 1-{N-[2-(amidinoaminooxy)ethyl]amino}carbonylmethyl-6-methyl-3-[2,2-difluoro-2-phenylethylamino]pyrazinone (RWJ-671818), a thrombin inhibitor with an oxyguanidine P1 motif. J Med Chem, Volume 53 (4), 2010";ChEMBL
MM475133;MM475133;N#CCNC(=O)c1ccc(-c2ccnc(Nc3ccc(N4CCOCC4)cc3)n2)cc1;;414.47;2.98;25062766;;;CHEMBL1078178;CACO;ECACO;25;0;"from B to A, <a href=https://www.ebi.ac.uk/chembl/assay_report_card/CHEMBL1108562/  target=_blank>CHEMBL1108562</a>";;;;;;;;;-4.56;;;;;;;;;;;;"Burns CJ, Bourke DG, Andrau L, Bu X, Charman SA, Donohue AC, Fantino E, Farrugia M, Feutrill JT, Joffe M, Kling MR, Kurek M, Nero TL, Nguyen T, Palmer JT, Phillips I, Shackleford DM, Sikanyika H, Styles M, Su S, Treutlein H, Zeng J, Wilks AF.: Phenylaminopyrimidines as inhibitors of Janus kinases (JAKs). Bioorg Med Chem Lett, Volume 19 (20), 2009";ChEMBL
MM475135;MM475135;CS(=O)(=O)Nc1ccc(-c2ccnc(Nc3ccc(CN4CCS(=O)(=O)CC4)cc3)n2)cc1;;487.61;2.49;46882590;;;CHEMBL1078889;CACO;ECACO;25;0;"from B to A, <a href=https://www.ebi.ac.uk/chembl/assay_report_card/CHEMBL1108562/  target=_blank>CHEMBL1108562</a>";;;;;;;;;-4.25;;;;;;;;;;;;"Burns CJ, Bourke DG, Andrau L, Bu X, Charman SA, Donohue AC, Fantino E, Farrugia M, Feutrill JT, Joffe M, Kling MR, Kurek M, Nero TL, Nguyen T, Palmer JT, Phillips I, Shackleford DM, Sikanyika H, Styles M, Su S, Treutlein H, Zeng J, Wilks AF.: Phenylaminopyrimidines as inhibitors of Janus kinases (JAKs). Bioorg Med Chem Lett, Volume 19 (20), 2009";ChEMBL
MM474861;MM474861;CC(C)CN(C(=O)c1cccc(Cl)c1Cl)C1CCNC1;;315.24;3.45;11392888;;;CHEMBL1080787;CACO;ECACO;25;0;"from B to A, <a href=https://www.ebi.ac.uk/chembl/assay_report_card/CHEMBL1112323/  target=_blank>CHEMBL1112323</a>";;;;;;;;;-4.59;;;;;;;;;;;;"Wakenhut F, Allan GA, Fish PV, Fray MJ, Harrison AC, McCoy R, Phillips SC, Ryckmans T, Stobie A, Westbrook D, Westbrook SL, Whitlock GA.: N-[(3S)-Pyrrolidin-3-yl]benzamides as novel dual serotonin and noradrenaline reuptake inhibitors: impact of small structural modifications on P-gp recognition and CNS penetration. Bioorg Med Chem Lett, Volume 19 (17), 2009";ChEMBL
MM475153;MM475153;Cc1cnc(NCCc2ccc(F)cc2F)c(=O)n1CC(=O)NCCON=C(N)N;;423.42;0.02;18671884;;;CHEMBL1083189;CACO;ECACO;25;0;"from B to A, <a href=https://www.ebi.ac.uk/chembl/assay_report_card/CHEMBL1100523/  target=_blank>CHEMBL1100523</a>";;;;;;;;;-5.72;;;;;;;;;;;;"Lu T, Markotan T, Ballentine SK, Giardino EC, Spurlino J, Crysler CS, Brown K, Maryanoff BE, Tomczuk BE, Damiano BP, Shukla U, End D, Andrade-Gordon P, Bone RF, Player MR.: Discovery and clinical evaluation of 1-{N-[2-(amidinoaminooxy)ethyl]amino}carbonylmethyl-6-methyl-3-[2,2-difluoro-2-phenylethylamino]pyrazinone (RWJ-671818), a thrombin inhibitor with an oxyguanidine P1 motif. J Med Chem, Volume 53 (4), 2010";ChEMBL
MM475154;MM475154;Cc1cnc(NCCc2ccc(C(F)(F)F)cc2)c(=O)n1CC(=O)NCCON=C(N)N;;455.44;0.76;18671920;;;CHEMBL1083190;CACO;ECACO;25;0;"from B to A, <a href=https://www.ebi.ac.uk/chembl/assay_report_card/CHEMBL1100523/  target=_blank>CHEMBL1100523</a>";;;;;;;;;-5.48;;;;;;;;;;;;"Lu T, Markotan T, Ballentine SK, Giardino EC, Spurlino J, Crysler CS, Brown K, Maryanoff BE, Tomczuk BE, Damiano BP, Shukla U, End D, Andrade-Gordon P, Bone RF, Player MR.: Discovery and clinical evaluation of 1-{N-[2-(amidinoaminooxy)ethyl]amino}carbonylmethyl-6-methyl-3-[2,2-difluoro-2-phenylethylamino]pyrazinone (RWJ-671818), a thrombin inhibitor with an oxyguanidine P1 motif. J Med Chem, Volume 53 (4), 2010";ChEMBL
MM475155;MM475155;COc1ccc(CCNc2ncc(C)n(CC(=O)NCCON=C(N)N)c2=O)cc1;;417.47;-0.25;9802069;;;CHEMBL1083191;CACO;ECACO;25;0;"from B to A, <a href=https://www.ebi.ac.uk/chembl/assay_report_card/CHEMBL1100523/  target=_blank>CHEMBL1100523</a>";;;;;;;;;-5.5;;;;;;;;;;;;"Lu T, Markotan T, Ballentine SK, Giardino EC, Spurlino J, Crysler CS, Brown K, Maryanoff BE, Tomczuk BE, Damiano BP, Shukla U, End D, Andrade-Gordon P, Bone RF, Player MR.: Discovery and clinical evaluation of 1-{N-[2-(amidinoaminooxy)ethyl]amino}carbonylmethyl-6-methyl-3-[2,2-difluoro-2-phenylethylamino]pyrazinone (RWJ-671818), a thrombin inhibitor with an oxyguanidine P1 motif. J Med Chem, Volume 53 (4), 2010";ChEMBL
MM475158;MM475158;Cc1cnc(NCC(F)(F)c2ccccc2)c(=O)n1CC(=O)NCCON=C(N)N;;423.42;0.29;9866964;;;CHEMBL1083499;CACO;ECACO;25;0;"from B to A, <a href=https://www.ebi.ac.uk/chembl/assay_report_card/CHEMBL1100523/  target=_blank>CHEMBL1100523</a>";;;;;;;;;-5.19;;;;;;;;;;;;"Lu T, Markotan T, Ballentine SK, Giardino EC, Spurlino J, Crysler CS, Brown K, Maryanoff BE, Tomczuk BE, Damiano BP, Shukla U, End D, Andrade-Gordon P, Bone RF, Player MR.: Discovery and clinical evaluation of 1-{N-[2-(amidinoaminooxy)ethyl]amino}carbonylmethyl-6-methyl-3-[2,2-difluoro-2-phenylethylamino]pyrazinone (RWJ-671818), a thrombin inhibitor with an oxyguanidine P1 motif. J Med Chem, Volume 53 (4), 2010";ChEMBL
MM475159;MM475159;Cc1cnc(NCCc2ccc(F)cc2)c(=O)n1CC(=O)NCCON=C(N)N;;405.43;-0.12;18671915;;;CHEMBL1083500;CACO;ECACO;25;0;"from B to A, <a href=https://www.ebi.ac.uk/chembl/assay_report_card/CHEMBL1100523/  target=_blank>CHEMBL1100523</a>";;;;;;;;;-5.83;;;;;;;;;;;;"Lu T, Markotan T, Ballentine SK, Giardino EC, Spurlino J, Crysler CS, Brown K, Maryanoff BE, Tomczuk BE, Damiano BP, Shukla U, End D, Andrade-Gordon P, Bone RF, Player MR.: Discovery and clinical evaluation of 1-{N-[2-(amidinoaminooxy)ethyl]amino}carbonylmethyl-6-methyl-3-[2,2-difluoro-2-phenylethylamino]pyrazinone (RWJ-671818), a thrombin inhibitor with an oxyguanidine P1 motif. J Med Chem, Volume 53 (4), 2010";ChEMBL
MM475160;MM475160;Cc1cnc(NCCc2ccc(F)c(F)c2)c(=O)n1CC(=O)NCCON=C(N)N;;423.42;0.02;18671904;;;CHEMBL1083501;CACO;ECACO;25;0;"from B to A, <a href=https://www.ebi.ac.uk/chembl/assay_report_card/CHEMBL1100523/  target=_blank>CHEMBL1100523</a>";;;;;;;;;-5.74;;;;;;;;;;;;"Lu T, Markotan T, Ballentine SK, Giardino EC, Spurlino J, Crysler CS, Brown K, Maryanoff BE, Tomczuk BE, Damiano BP, Shukla U, End D, Andrade-Gordon P, Bone RF, Player MR.: Discovery and clinical evaluation of 1-{N-[2-(amidinoaminooxy)ethyl]amino}carbonylmethyl-6-methyl-3-[2,2-difluoro-2-phenylethylamino]pyrazinone (RWJ-671818), a thrombin inhibitor with an oxyguanidine P1 motif. J Med Chem, Volume 53 (4), 2010";ChEMBL
MM475170;MM475170;COc1ccc(S(=O)(=O)N2CC(C(=O)N3CCCNCC3)c3ccccc32)c2ccccc12;VZJXKZSVPZSVOQ-NRFANRHFSA-N;465.58;2.96;46701790;;;CHEMBL1084215;CACO;ECACO;25;0;"from B to A, <a href=https://www.ebi.ac.uk/chembl/assay_report_card/CHEMBL1117809/  target=_blank>CHEMBL1117809</a>";;;;;;;;;-5.33;;;;;;;;;;;;"Reid M, Carlyle I, Caulfield WL, Clarkson TR, Cusick F, Epemolu O, Gilfillan R, Goodwin R, Jaap D, O'Donnell EC, Presland J, Rankovic Z, Spinks D, Spinks G, Thomson AM, Thomson F, Strain J, Wishart G.: The discovery and SAR of indoline-3-carboxamides--a new series of 5-HT6 antagonists. Bioorg Med Chem Lett, Volume 20 (12), 2010";ChEMBL
MM475172;MM475172;N#Cc1cnc(NCC(F)(F)c2ccccc2)c(=O)n1CC(=O)NCCON=C(N)N;;434.41;-0.15;45103523;;;CHEMBL1084908;CACO;ECACO;25;0;"from B to A, <a href=https://www.ebi.ac.uk/chembl/assay_report_card/CHEMBL1100523/  target=_blank>CHEMBL1100523</a>";;;;;;;;;-5.65;;;;;;;;;;;;"Lu T, Markotan T, Ballentine SK, Giardino EC, Spurlino J, Crysler CS, Brown K, Maryanoff BE, Tomczuk BE, Damiano BP, Shukla U, End D, Andrade-Gordon P, Bone RF, Player MR.: Discovery and clinical evaluation of 1-{N-[2-(amidinoaminooxy)ethyl]amino}carbonylmethyl-6-methyl-3-[2,2-difluoro-2-phenylethylamino]pyrazinone (RWJ-671818), a thrombin inhibitor with an oxyguanidine P1 motif. J Med Chem, Volume 53 (4), 2010";ChEMBL
MM473078;MM473078;NS(=O)(=O)c1ccc(Nc2nccc(-c3ccsc3)n2)cc1;JUIXZPWSSOKEIF-UHFFFAOYSA-N;332.41;2.6;46890318;;;CHEMBL1084970;CACO;ECACO;25;0;"from B to A, <a href=https://www.ebi.ac.uk/chembl/assay_report_card/CHEMBL1120486/  target=_blank>CHEMBL1120486</a>";;;;;;;;;-4.41;;;;;;;;;;;;"Crombie AL, Sum FW, Powell DW, Hopper DW, Torres N, Berger DM, Zhang Y, Gavriil M, Sadler TM, Arndt K.: Synthesis and biological evaluation of tricyclic anilinopyrimidines as IKKbeta inhibitors. Bioorg Med Chem Lett, Volume 20 (12), 2010";ChEMBL
MM473079;MM473079;NS(=O)(=O)c1ccc(Nc2ncc3c(n2)-c2ccsc2CC3)cc1;MTDWGYRUUAGIEQ-UHFFFAOYSA-N;358.45;2.69;46890319;;;CHEMBL1085654;CACO;ECACO;25;0;"from B to A, <a href=https://www.ebi.ac.uk/chembl/assay_report_card/CHEMBL1120486/  target=_blank>CHEMBL1120486</a>";;;;;;;;;-4.68;;;;;;;;;;;;"Crombie AL, Sum FW, Powell DW, Hopper DW, Torres N, Berger DM, Zhang Y, Gavriil M, Sadler TM, Arndt K.: Synthesis and biological evaluation of tricyclic anilinopyrimidines as IKKbeta inhibitors. Bioorg Med Chem Lett, Volume 20 (12), 2010";ChEMBL
MM473080;MM473080;CN(C)CCNS(=O)(=O)c1ccc(Nc2nccc(-c3ccsc3)n2)cc1;AUZFWDQAVYWVTD-UHFFFAOYSA-N;403.53;2.79;46890320;;;CHEMBL1085880;CACO;ECACO;25;0;"from B to A, <a href=https://www.ebi.ac.uk/chembl/assay_report_card/CHEMBL1120486/  target=_blank>CHEMBL1120486</a>";;;;;;;;;-4.88;;;;;;;;;;;;"Crombie AL, Sum FW, Powell DW, Hopper DW, Torres N, Berger DM, Zhang Y, Gavriil M, Sadler TM, Arndt K.: Synthesis and biological evaluation of tricyclic anilinopyrimidines as IKKbeta inhibitors. Bioorg Med Chem Lett, Volume 20 (12), 2010";ChEMBL
MM473081;MM473081;CN(C)CCNS(=O)(=O)c1ccc(Nc2ncc3c(n2)-c2ccsc2CC3)cc1;VOKVJALZAMIMIX-UHFFFAOYSA-N;429.57;2.89;46871627;;;CHEMBL1085881;CACO;ECACO;25;0;"from B to A, <a href=https://www.ebi.ac.uk/chembl/assay_report_card/CHEMBL1120486/  target=_blank>CHEMBL1120486</a>";;;;;;;;;-5.51;;;;;;;;;;;;"Crombie AL, Sum FW, Powell DW, Hopper DW, Torres N, Berger DM, Zhang Y, Gavriil M, Sadler TM, Arndt K.: Synthesis and biological evaluation of tricyclic anilinopyrimidines as IKKbeta inhibitors. Bioorg Med Chem Lett, Volume 20 (12), 2010";ChEMBL
MM475189;MM475189;COc1ccc(CCNc2ncc(C)n(CC(=O)NCCON=C(N)N)c2=O)cc1OC;;447.5;-0.25;18671891;;;CHEMBL1086402;CACO;ECACO;25;0;"from B to A, <a href=https://www.ebi.ac.uk/chembl/assay_report_card/CHEMBL1100523/  target=_blank>CHEMBL1100523</a>";;;;;;;;;-6.44;;;;;;;;;;;;"Lu T, Markotan T, Ballentine SK, Giardino EC, Spurlino J, Crysler CS, Brown K, Maryanoff BE, Tomczuk BE, Damiano BP, Shukla U, End D, Andrade-Gordon P, Bone RF, Player MR.: Discovery and clinical evaluation of 1-{N-[2-(amidinoaminooxy)ethyl]amino}carbonylmethyl-6-methyl-3-[2,2-difluoro-2-phenylethylamino]pyrazinone (RWJ-671818), a thrombin inhibitor with an oxyguanidine P1 motif. J Med Chem, Volume 53 (4), 2010";ChEMBL
MM475190;MM475190;Cc1cnc(NCCc2cccc3ccccc23)c(=O)n1CC(=O)NCCON=C(N)N;;437.5;0.89;9954757;;;CHEMBL1087037;CACO;ECACO;25;0;"from B to A, <a href=https://www.ebi.ac.uk/chembl/assay_report_card/CHEMBL1100523/  target=_blank>CHEMBL1100523</a>";;;;;;;;;-4.93;;;;;;;;;;;;"Lu T, Markotan T, Ballentine SK, Giardino EC, Spurlino J, Crysler CS, Brown K, Maryanoff BE, Tomczuk BE, Damiano BP, Shukla U, End D, Andrade-Gordon P, Bone RF, Player MR.: Discovery and clinical evaluation of 1-{N-[2-(amidinoaminooxy)ethyl]amino}carbonylmethyl-6-methyl-3-[2,2-difluoro-2-phenylethylamino]pyrazinone (RWJ-671818), a thrombin inhibitor with an oxyguanidine P1 motif. J Med Chem, Volume 53 (4), 2010";ChEMBL
MM475191;MM475191;Cc1cnc(NCC(c2ccccc2)c2ccccc2)c(=O)n1CC(=O)NCCON=C(N)N;;463.54;1.33;9890583;;;CHEMBL1087038;CACO;ECACO;25;0;"from B to A, <a href=https://www.ebi.ac.uk/chembl/assay_report_card/CHEMBL1100523/  target=_blank>CHEMBL1100523</a>";;;;;;;;;-4.89;;;;;;;;;;;;"Lu T, Markotan T, Ballentine SK, Giardino EC, Spurlino J, Crysler CS, Brown K, Maryanoff BE, Tomczuk BE, Damiano BP, Shukla U, End D, Andrade-Gordon P, Bone RF, Player MR.: Discovery and clinical evaluation of 1-{N-[2-(amidinoaminooxy)ethyl]amino}carbonylmethyl-6-methyl-3-[2,2-difluoro-2-phenylethylamino]pyrazinone (RWJ-671818), a thrombin inhibitor with an oxyguanidine P1 motif. J Med Chem, Volume 53 (4), 2010";ChEMBL
MM475192;MM475192;CCCC1(C(=O)O)OCCc2c1[nH]c1c(C)ccc(C#N)c21;;298.34;3;46889262;;;CHEMBL1087093;CACO;ECACO;25;0;"from B to A, <a href=https://www.ebi.ac.uk/chembl/assay_report_card/CHEMBL1109068/  target=_blank>CHEMBL1109068</a>";;;;;;;;;-4.62;;;;;;;;;;;;"LaPorte MG, Draper TL, Miller LE, Blackledge CW, Leister LK, Amparo E, Hussey AR, Young DC, Chunduru SK, Benetatos CA, Rhodes G, Gopalsamy A, Herbertz T, Burns CJ, Condon SM.: The discovery and structure-activity relationships of pyrano[3,4-b]indole based inhibitors of hepatitis C virus NS5B polymerase. Bioorg Med Chem Lett, Volume 20 (9), 2010";ChEMBL
MM475194;MM475194;CCc1ccc(CCNc2ncc(C)n(CC(=O)NCCON=C(N)N)c2=O)cc1;;415.5;0.3;18671918;;;CHEMBL1087669;CACO;ECACO;25;0;"from B to A, <a href=https://www.ebi.ac.uk/chembl/assay_report_card/CHEMBL1100523/  target=_blank>CHEMBL1100523</a>";;;;;;;;;-4.99;;;;;;;;;;;;"Lu T, Markotan T, Ballentine SK, Giardino EC, Spurlino J, Crysler CS, Brown K, Maryanoff BE, Tomczuk BE, Damiano BP, Shukla U, End D, Andrade-Gordon P, Bone RF, Player MR.: Discovery and clinical evaluation of 1-{N-[2-(amidinoaminooxy)ethyl]amino}carbonylmethyl-6-methyl-3-[2,2-difluoro-2-phenylethylamino]pyrazinone (RWJ-671818), a thrombin inhibitor with an oxyguanidine P1 motif. J Med Chem, Volume 53 (4), 2010";ChEMBL
MM475195;MM475195;Cc1cnc(NCCc2ccc3c(c2)CCC3)c(=O)n1CC(=O)NCCON=C(N)N;;427.51;0.23;9823849;;;CHEMBL1087670;CACO;ECACO;25;0;"from B to A, <a href=https://www.ebi.ac.uk/chembl/assay_report_card/CHEMBL1100523/  target=_blank>CHEMBL1100523</a>";;;;;;;;;-5.37;;;;;;;;;;;;"Lu T, Markotan T, Ballentine SK, Giardino EC, Spurlino J, Crysler CS, Brown K, Maryanoff BE, Tomczuk BE, Damiano BP, Shukla U, End D, Andrade-Gordon P, Bone RF, Player MR.: Discovery and clinical evaluation of 1-{N-[2-(amidinoaminooxy)ethyl]amino}carbonylmethyl-6-methyl-3-[2,2-difluoro-2-phenylethylamino]pyrazinone (RWJ-671818), a thrombin inhibitor with an oxyguanidine P1 motif. J Med Chem, Volume 53 (4), 2010";ChEMBL
MM475196;MM475196;NC(N)=NOCCNC(=O)Cn1c(Cl)cnc(NCC(F)(F)c2ccccc2)c1=O;;443.84;0.63;45103723;;;CHEMBL1088332;CACO;ECACO;25;0;"from B to A, <a href=https://www.ebi.ac.uk/chembl/assay_report_card/CHEMBL1100523/  target=_blank>CHEMBL1100523</a>";;;;;;;;;-5.52;;;;;;;;;;;;"Lu T, Markotan T, Ballentine SK, Giardino EC, Spurlino J, Crysler CS, Brown K, Maryanoff BE, Tomczuk BE, Damiano BP, Shukla U, End D, Andrade-Gordon P, Bone RF, Player MR.: Discovery and clinical evaluation of 1-{N-[2-(amidinoaminooxy)ethyl]amino}carbonylmethyl-6-methyl-3-[2,2-difluoro-2-phenylethylamino]pyrazinone (RWJ-671818), a thrombin inhibitor with an oxyguanidine P1 motif. J Med Chem, Volume 53 (4), 2010";ChEMBL
MM475198;MM475198;Cc1ccc(C(=O)NC2CC2)cc1-c1cc2cnn(-c3c(F)cccc3F)c2n(C)c1=O;;434.45;3.87;25052767;;;CHEMBL1089865;CACO;ECACO;25;0;"from B to A, <a href=https://www.ebi.ac.uk/chembl/assay_report_card/CHEMBL1104507/  target=_blank>CHEMBL1104507</a>";;;;;;;;;-4.57;;;;;;;;;;;;"Pettus LH, Wurz RP, Xu S, Herberich B, Henkle B, Liu Q, McBride HJ, Mu S, Plant MH, Saris CJ, Sherman L, Wong LM, Chmait S, Lee MR, Mohr C, Hsieh F, Tasker AS.: Discovery and evaluation of 7-alkyl-1,5-bis-aryl-pyrazolopyridinones as highly potent, selective, and orally efficacious inhibitors of p38alpha mitogen-activated protein kinase. J Med Chem, Volume 53 (7), 2010";ChEMBL
MM475202;MM475202;O=C(NC(CC=Cc1ccccc1)C(=O)O)c1ccc2ccccc2c1;;345.4;4.13;45100499;;;CHEMBL1090714;CACO;ECACO;25;0;"from B to A, <a href=https://www.ebi.ac.uk/chembl/assay_report_card/CHEMBL1109793/  target=_blank>CHEMBL1109793</a>";;;;;;;;;-5.11;;;;;;;;;;;;"Dong L, Marakovits J, Hou X, Guo C, Greasley S, Dagostino E, Ferre R, Johnson MC, Kraynov E, Thomson J, Pathak V, Murray BW.: Structure-based design of novel human Pin1 inhibitors (II). Bioorg Med Chem Lett, Volume 20 (7), 2010";ChEMBL
MM475203;MM475203;Cc1ccc(C(=O)NC2CC2)cc1-c1cc2cnn(-c3ccc(F)cc3F)c2n(C)c1=O;;434.45;3.87;25118220;;;CHEMBL1091199;CACO;ECACO;25;0;"from B to A, <a href=https://www.ebi.ac.uk/chembl/assay_report_card/CHEMBL1104507/  target=_blank>CHEMBL1104507</a>";;;;;;;;;-4.54;;;;;;;;;;;;"Pettus LH, Wurz RP, Xu S, Herberich B, Henkle B, Liu Q, McBride HJ, Mu S, Plant MH, Saris CJ, Sherman L, Wong LM, Chmait S, Lee MR, Mohr C, Hsieh F, Tasker AS.: Discovery and evaluation of 7-alkyl-1,5-bis-aryl-pyrazolopyridinones as highly potent, selective, and orally efficacious inhibitors of p38alpha mitogen-activated protein kinase. J Med Chem, Volume 53 (7), 2010";ChEMBL
MM475204;MM475204;Cn1c(=O)c(-c2cc(C(=O)NC3CC3)ccc2Cl)cc2cnn(-c3c(F)cccc3F)c21;;454.86;4.22;25119291;;;CHEMBL1091928;CACO;ECACO;25;0;"from B to A, <a href=https://www.ebi.ac.uk/chembl/assay_report_card/CHEMBL1104507/  target=_blank>CHEMBL1104507</a>";;;;;;;;;-4.74;;;;;;;;;;;;"Pettus LH, Wurz RP, Xu S, Herberich B, Henkle B, Liu Q, McBride HJ, Mu S, Plant MH, Saris CJ, Sherman L, Wong LM, Chmait S, Lee MR, Mohr C, Hsieh F, Tasker AS.: Discovery and evaluation of 7-alkyl-1,5-bis-aryl-pyrazolopyridinones as highly potent, selective, and orally efficacious inhibitors of p38alpha mitogen-activated protein kinase. J Med Chem, Volume 53 (7), 2010";ChEMBL
MM475216;MM475216;CC(=O)N1CC(Oc2cccc(F)c2)CC1C(=O)N1CCCN(C2CCC2)CC1;;403.5;2.28;44598902;;;CHEMBL1096827;CACO;ECACO;25;0;"from B to A, <a href=https://www.ebi.ac.uk/chembl/assay_report_card/CHEMBL1105789/  target=_blank>CHEMBL1105789</a>";;;;;;;;;-4.28;;;;;;;;;;;;"Stocking EM, Aluisio L, Atack JR, Bonaventure P, Carruthers NI, Dugovic C, Everson A, Fraser I, Jiang X, Leung P, Lord B, Ly KS, Morton KL, Nepomuceno D, Shah CR, Shelton J, Soyode-Johnson A, Letavic MA.: Novel substituted pyrrolidines are high affinity histamine H3 receptor antagonists. Bioorg Med Chem Lett, Volume 20 (9), 2010";ChEMBL
Saquinavir;MM00563;CC(C)(C)NC(=O)C1CC2CCCCC2CN1CC(O)C(Cc1ccccc1)NC(=O)C(CC(N)=O)NC(=O)c1ccc2ccccc2n1;QWAXKHKRTORLEM-UHFFFAOYSA-N;670.86;3.09;441243;DB01232;ROC;CHEMBL114;CACO;ECACO;25;0;"from B to A, <a href=https://www.ebi.ac.uk/chembl/assay_report_card/CHEMBL944660/  target=_blank>CHEMBL944660</a>";;;;;;;;;-5.96;;;;;;;;;;;;"Roche D, Greiner J, Aubertin AM, Vierling P.: Synthesis and in vitro biological evaluation of valine-containing prodrugs derived from clinically used HIV-protease inhibitors. Eur J Med Chem, Volume 43 (7), 2008";ChEMBL
MM475226;MM475226;CNCC[C@H](Oc1cccc2ccccc12)c1cccs1;;297.42;4.63;;;;CHEMBL1175;CACO;ECACO;25;0;"from B to A, <a href=https://www.ebi.ac.uk/chembl/assay_report_card/CHEMBL1051053/  target=_blank>CHEMBL1051053</a>";;;;;;;;;-5.05;;;;;;;;;;;;"Lucas MC, Carter DS, Cai HY, Lee EK, Schoenfeld RC, Steiner S, Villa M, Weikert RJ, Iyer PS.: Novel, achiral aminoheterocycles as selective monoamine reuptake inhibitors. Bioorg Med Chem Lett, Volume 19 (16), 2009";ChEMBL
MM475227;MM475227;Cc1nnc(C(C)C)n1[C@@H]1C[C@H]2CC[C@@H](C1)N2CC[C@H](NC(=O)C1CCC(F)(F)CC1)c1ccccc1;;513.68;5.95;;;;CHEMBL1201187;CACO;ECACO;25;0;"from B to A, <a href=https://www.ebi.ac.uk/chembl/assay_report_card/CHEMBL1019467/  target=_blank>CHEMBL1019467</a>";;;;;;;;;-5;;;;;;;;;;;;"Barber CG, Blakemore DC, Chiva JY, Eastwood RL, Middleton DS, Paradowski KA.: 1-Amido-1-phenyl-3-piperidinylbutanes--CCR5 antagonists for the treatment of HIV: part 2. Bioorg Med Chem Lett, Volume 19 (5), 2009";ChEMBL
Prednisolone;MM00297;CC12C=CC(=O)C=C1CCC1C2C(O)CC2(C)C1CCC2(O)C(=O)CO;OIGNJSKKLXVSLS-UHFFFAOYSA-N;360.45;1.56;5755;DB00860;;CHEMBL131;CACO;ECACO;25;0;"from B to A, <a href=https://www.ebi.ac.uk/chembl/assay_report_card/CHEMBL973473/  target=_blank>CHEMBL973473</a>";;;;;;;;;-4.7;;;;;;;;;;;;"Ruiz JF, Radics G, Windle H, Serra HO, Simplício AL, Kedziora K, Fallon PG, Kelleher DP, Gilmer JF.: Design, synthesis, and pharmacological effects of a cyclization-activated steroid prodrug for colon targeting in inflammatory bowel disease. J Med Chem, Volume 52 (10), 2009";ChEMBL
MM472518;MM472518;CCNc1nc(Cl)nc(NC(C)C)n1;;215.69;1.78;;;;CHEMBL15063;CACO;ECACO;25;0;"from B to A, <a href=https://www.ebi.ac.uk/chembl/assay_report_card/CHEMBL905617/  target=_blank>CHEMBL905617</a>";;;;;;;;;-4.45;;;;;;;;;;;;"Fujikawa M, Nakao K, Shimizu R, Akamatsu M.: QSAR study on permeability of hydrophobic compounds with artificial membranes. Bioorg Med Chem, Volume 15 (11), 3756-3767, 2007";ChEMBL
Vinblastine;MM00586;CCC1(O)CC2CN(CCc3c([nH]c4ccccc34)C(C(=O)OC)(c3cc4c(cc3OC)N(C)C3C(O)(C(=O)OC)C(OC(C)=O)C5(CC)C=CCN6CCC43C65)C2)C1;JXLYSJRDGCGARV-UHFFFAOYSA-N;810.99;3.99;241903;DB00570;VLB;CHEMBL22969;CACO;ECACO;25;0;"from B to A, <a href=https://www.ebi.ac.uk/chembl/assay_report_card/CHEMBL967839/  target=_blank>CHEMBL967839</a>";;;;;;;;;-4.38;;;;;;;;;;;;"Van Voorhis WC, Rivas KL, Bendale P, Nallan L, Hornéy C, Barrett LK, Bauer KD, Smart BP, Ankala S, Hucke O, Verlinde CL, Chakrabarti D, Strickland C, Yokoyama K, Buckner FS, Hamilton AD, Williams DK, Lombardo LJ, Floyd D, Gelb MH.: Efficacy, pharmacokinetics, and metabolism of tetrahydroquinoline inhibitors of Plasmodium falciparum protein farnesyltransferase. Antimicrob Agents Chemother, Volume 51 (10), 2007";ChEMBL
"Cyclosporine A";MM00349;CC=CCC(C)C(O)C1C(=O)NC(CC)C(=O)N(C)CC(=O)N(C)C(CC(C)C)C(=O)NC(C(C)C)C(=O)N(C)C(CC(C)C)C(=O)NC(C)C(=O)NC(C)C(=O)N(C)C(CC(C)C)C(=O)N(C)C(CC(C)C)C(=O)N(C)C(C(C)C)C(=O)N1C;PMATZTZNYRCHOR-UHFFFAOYSA-N;1202.64;3.27;5284373;DB00091;;CHEMBL160;CACO;ECACO;25;0;"from B to A, <a href=https://www.ebi.ac.uk/chembl/assay_report_card/CHEMBL921231/  target=_blank>CHEMBL921231</a>";;;;;;;;;-4.82;;;;;;;;;;;;"Colabufo NA, Berardi F, Cantore M, Perrone MG, Contino M, Inglese C, Niso M, Perrone R, Azzariti A, Simone GM, Porcelli L, Paradiso A.: Small P-gp modulating molecules: SAR studies on tetrahydroisoquinoline derivatives. Bioorg Med Chem, Volume 16 (1), 2008";ChEMBL
"Cyclosporine A";MM00349;CC=CCC(C)C(O)C1C(=O)NC(CC)C(=O)N(C)CC(=O)N(C)C(CC(C)C)C(=O)NC(C(C)C)C(=O)N(C)C(CC(C)C)C(=O)NC(C)C(=O)NC(C)C(=O)N(C)C(CC(C)C)C(=O)N(C)C(CC(C)C)C(=O)N(C)C(C(C)C)C(=O)N1C;PMATZTZNYRCHOR-UHFFFAOYSA-N;1202.64;3.27;5284373;DB00091;;CHEMBL160;CACO;ECACO;25;0;"from B to A, <a href=https://www.ebi.ac.uk/chembl/assay_report_card/CHEMBL923494/  target=_blank>CHEMBL923494</a>";;;;;;;;;-4.82;;;;;;;;;;;;"Colabufo NA, Berardi F, Cantore M, Perrone MG, Contino M, Inglese C, Niso M, Perrone R, Azzariti A, Simone GM, Paradiso A.: 4-Biphenyl and 2-naphthyl substituted 6,7-dimethoxytetrahydroisoquinoline derivatives as potent P-gp modulators. Bioorg Med Chem, Volume 16 (7), 2008";ChEMBL
MM471641;MM471641;CNC(=C[N+](=O)[O-])NCCSCc1ccc(CN(C)C)o1;;314.41;1.46;;;;CHEMBL1790041;CACO;ECACO;25;+1,-1;"from B to A, <a href=https://www.ebi.ac.uk/chembl/assay_report_card/CHEMBL967839/  target=_blank>CHEMBL967839</a>";;;;;;;;;-5.25;;;;;;;;;;;;"Van Voorhis WC, Rivas KL, Bendale P, Nallan L, Hornéy C, Barrett LK, Bauer KD, Smart BP, Ankala S, Hucke O, Verlinde CL, Chakrabarti D, Strickland C, Yokoyama K, Buckner FS, Hamilton AD, Williams DK, Lombardo LJ, Floyd D, Gelb MH.: Efficacy, pharmacokinetics, and metabolism of tetrahydroquinoline inhibitors of Plasmodium falciparum protein farnesyltransferase. Antimicrob Agents Chemother, Volume 51 (10), 2007";ChEMBL
MM475311;MM475311;Cn1cncc1CN1CC(N(Cc2ccccn2)S(=O)(=O)c2ccccn2)Cc2cc(C#N)ccc21;;499.6;2.9;11271978;;;CHEMBL192244;CACO;ECACO;25;0;"from B to A, <a href=https://www.ebi.ac.uk/chembl/assay_report_card/CHEMBL967839/  target=_blank>CHEMBL967839</a>";;;;;;;;;-4.13;;;;;;;;;;;;"Van Voorhis WC, Rivas KL, Bendale P, Nallan L, Hornéy C, Barrett LK, Bauer KD, Smart BP, Ankala S, Hucke O, Verlinde CL, Chakrabarti D, Strickland C, Yokoyama K, Buckner FS, Hamilton AD, Williams DK, Lombardo LJ, Floyd D, Gelb MH.: Efficacy, pharmacokinetics, and metabolism of tetrahydroquinoline inhibitors of Plasmodium falciparum protein farnesyltransferase. Antimicrob Agents Chemother, Volume 51 (10), 2007";ChEMBL
MM475312;MM475312;CNc1nc2ccc(S(=O)(=O)N(CC(C)C)CC(O)C(Cc3ccccc3)NC(=O)OC3COC4OCCC34)cc2o1;;602.71;2.98;514397;;;CHEMBL193429;CACO;ECACO;25;0;"from B to A, <a href=https://www.ebi.ac.uk/chembl/assay_report_card/CHEMBL836787/  target=_blank>CHEMBL836787</a>";;;;;;;;;-4.62;;;;;;;;;;;;"Surleraux DL, de Kock HA, Verschueren WG, Pille GM, Maes LJ, Peeters A, Vendeville S, De Meyer S, Azijn H, Pauwels R, de Bethune MP, King NM, Prabu-Jeyabalan M, Schiffer CA, Wigerinck PB.: Design of HIV-1 protease inhibitors active on multidrug-resistant virus. J Med Chem, Volume 48 (6), 2005";ChEMBL
MM475313;MM475313;CC(C)CN(CC(O)C(Cc1ccccc1)NC(=O)OC1COC2OCCC12)S(=O)(=O)c1ccc2nc(N)oc2c1;;588.68;2.52;514396;;;CHEMBL193880;CACO;ECACO;25;0;"from B to A, <a href=https://www.ebi.ac.uk/chembl/assay_report_card/CHEMBL836787/  target=_blank>CHEMBL836787</a>";;;;;;;;;-4.62;;;;;;;;;;;;"Surleraux DL, de Kock HA, Verschueren WG, Pille GM, Maes LJ, Peeters A, Vendeville S, De Meyer S, Azijn H, Pauwels R, de Bethune MP, King NM, Prabu-Jeyabalan M, Schiffer CA, Wigerinck PB.: Design of HIV-1 protease inhibitors active on multidrug-resistant virus. J Med Chem, Volume 48 (6), 2005";ChEMBL
MM475314;MM475314;CC(C)CN(CC(O)C(Cc1ccccc1)NC(=O)OC1COC2OCCC12)S(=O)(=O)c1ccc2nc(N)sc2c1;;604.75;2.99;6320570;;;CHEMBL194045;CACO;ECACO;25;0;"from B to A, <a href=https://www.ebi.ac.uk/chembl/assay_report_card/CHEMBL836787/  target=_blank>CHEMBL836787</a>";;;;;;;;;-4.56;;;;;;;;;;;;"Surleraux DL, de Kock HA, Verschueren WG, Pille GM, Maes LJ, Peeters A, Vendeville S, De Meyer S, Azijn H, Pauwels R, de Bethune MP, King NM, Prabu-Jeyabalan M, Schiffer CA, Wigerinck PB.: Design of HIV-1 protease inhibitors active on multidrug-resistant virus. J Med Chem, Volume 48 (6), 2005";ChEMBL
MM475316;MM475316;CNc1nc2ccc(S(=O)(=O)N(CC(C)C)CC(O)C(Cc3ccccc3)NC(=O)OC3COC4OCCC34)cc2s1;;618.78;3.44;6320571;;;CHEMBL195273;CACO;ECACO;25;0;"from B to A, <a href=https://www.ebi.ac.uk/chembl/assay_report_card/CHEMBL836787/  target=_blank>CHEMBL836787</a>";;;;;;;;;-4.85;;;;;;;;;;;;"Surleraux DL, de Kock HA, Verschueren WG, Pille GM, Maes LJ, Peeters A, Vendeville S, De Meyer S, Azijn H, Pauwels R, de Bethune MP, King NM, Prabu-Jeyabalan M, Schiffer CA, Wigerinck PB.: Design of HIV-1 protease inhibitors active on multidrug-resistant virus. J Med Chem, Volume 48 (6), 2005";ChEMBL
MM475322;MM475322;NC(Cc1ccc(-c2ccccc2)cc1)C(=O)N1CCSC1;;312.44;2.76;23645379;;;CHEMBL199437;CACO;ECACO;25;0;"from B to A, <a href=https://www.ebi.ac.uk/chembl/assay_report_card/CHEMBL863904/  target=_blank>CHEMBL863904</a>";;;;;;;;;-5.82;;;;;;;;;;;;"Qiao L, Baumann CA, Crysler CS, Ninan NS, Abad MC, Spurlino JC, Desjarlais RL, Kervinen J, Neeper MP, Bayoumy SS, Williams R, Deckman IC, Dasgupta M, Reed RL, Huebert ND, Tomczuk BE, Moriarty KJ.: Discovery, SAR, and X-ray structure of novel biaryl-based dipeptidyl peptidase IV inhibitors. Bioorg Med Chem Lett, Volume 16 (1), 2006";ChEMBL
MM475323;MM475323;N#CC1CCCN1C(=O)C(N)Cc1ccc(-c2ccc(F)cc2)cc1;;337.4;2.88;23645376;;;CHEMBL199614;CACO;ECACO;25;0;"from B to A, <a href=https://www.ebi.ac.uk/chembl/assay_report_card/CHEMBL863904/  target=_blank>CHEMBL863904</a>";;;;;;;;;-5.35;;;;;;;;;;;;"Qiao L, Baumann CA, Crysler CS, Ninan NS, Abad MC, Spurlino JC, Desjarlais RL, Kervinen J, Neeper MP, Bayoumy SS, Williams R, Deckman IC, Dasgupta M, Reed RL, Huebert ND, Tomczuk BE, Moriarty KJ.: Discovery, SAR, and X-ray structure of novel biaryl-based dipeptidyl peptidase IV inhibitors. Bioorg Med Chem Lett, Volume 16 (1), 2006";ChEMBL
MM475325;MM475325;N#CC1CCCN1C(=O)C(N)Cc1ccc(-c2ccc(F)cc2F)cc1;;355.39;3.02;11595565;;;CHEMBL199905;CACO;ECACO;25;0;"from B to A, <a href=https://www.ebi.ac.uk/chembl/assay_report_card/CHEMBL863904/  target=_blank>CHEMBL863904</a>";;;;;;;;;-5.31;;;;;;;;;;;;"Qiao L, Baumann CA, Crysler CS, Ninan NS, Abad MC, Spurlino JC, Desjarlais RL, Kervinen J, Neeper MP, Bayoumy SS, Williams R, Deckman IC, Dasgupta M, Reed RL, Huebert ND, Tomczuk BE, Moriarty KJ.: Discovery, SAR, and X-ray structure of novel biaryl-based dipeptidyl peptidase IV inhibitors. Bioorg Med Chem Lett, Volume 16 (1), 2006";ChEMBL
MM475326;MM475326;N#CC1CCCN1C(=O)C(N)Cc1ccc(-c2ccccc2)cc1;;319.41;2.74;16755651;;;CHEMBL200347;CACO;ECACO;25;0;"from B to A, <a href=https://www.ebi.ac.uk/chembl/assay_report_card/CHEMBL863904/  target=_blank>CHEMBL863904</a>";;;;;;;;;-5.42;;;;;;;;;;;;"Qiao L, Baumann CA, Crysler CS, Ninan NS, Abad MC, Spurlino JC, Desjarlais RL, Kervinen J, Neeper MP, Bayoumy SS, Williams R, Deckman IC, Dasgupta M, Reed RL, Huebert ND, Tomczuk BE, Moriarty KJ.: Discovery, SAR, and X-ray structure of novel biaryl-based dipeptidyl peptidase IV inhibitors. Bioorg Med Chem Lett, Volume 16 (1), 2006";ChEMBL
MM475330;MM475330;CC(=O)N[C@@H](Cc1ccc(O)cc1)C(=O)N[C@@H](C)C(=O)NCC(=O)N[C@@H](Cc1ccccc1)C(=O)N[C@@H](CC(C)C)C(N)=O;;610.71;-0.2;;;;CHEMBL201619;CACO;ECACO;25;0;"from B to A, <a href=https://www.ebi.ac.uk/chembl/assay_report_card/CHEMBL864081/  target=_blank>CHEMBL864081</a>";;;;;;;;;-6.89;;;;;;;;;;;;"Liederer BM, Fuchs T, Vander Velde D, Siahaan TJ, Borchardt RT.: Effects of amino acid chirality and the chemical linker on the cell permeation characteristics of cyclic prodrugs of opioid peptides. J Med Chem, Volume 49 (4), 2006";ChEMBL
MM475330;MM475330;CC(=O)N[C@@H](Cc1ccc(O)cc1)C(=O)N[C@@H](C)C(=O)NCC(=O)N[C@@H](Cc1ccccc1)C(=O)N[C@@H](CC(C)C)C(N)=O;;610.71;-0.2;;;;CHEMBL201619;CACO;ECACO;25;0;"from B to A, <a href=https://www.ebi.ac.uk/chembl/assay_report_card/CHEMBL864082/  target=_blank>CHEMBL864082</a>";;;;;;;;;-7.43;;;;;;;;;;;;"Liederer BM, Fuchs T, Vander Velde D, Siahaan TJ, Borchardt RT.: Effects of amino acid chirality and the chemical linker on the cell permeation characteristics of cyclic prodrugs of opioid peptides. J Med Chem, Volume 49 (4), 2006";ChEMBL
MM475330;MM475330;CC(=O)N[C@@H](Cc1ccc(O)cc1)C(=O)N[C@@H](C)C(=O)NCC(=O)N[C@@H](Cc1ccccc1)C(=O)N[C@@H](CC(C)C)C(N)=O;;610.71;-0.2;;;;CHEMBL201619;CACO;ECACO;25;0;"from B to A, <a href=https://www.ebi.ac.uk/chembl/assay_report_card/CHEMBL865287/  target=_blank>CHEMBL865287</a>";;;;;;;;;-7.54;;;;;;;;;;;;"Liederer BM, Fuchs T, Vander Velde D, Siahaan TJ, Borchardt RT.: Effects of amino acid chirality and the chemical linker on the cell permeation characteristics of cyclic prodrugs of opioid peptides. J Med Chem, Volume 49 (4), 2006";ChEMBL
MM475331;MM475331;CC(C)CC1NC(=O)C(Cc2ccccc2)NC(=O)CNC(=O)C(C)NC(=O)C(Cc2ccc(O)cc2)NC(=O)C=Cc2ccccc2OCOC1=O;CQTYKIZQGJDXFK-QFEUDJFPSA-N;727.82;1.91;11505880;;;CHEMBL202083;CACO;ECACO;25;0;"from B to A, <a href=https://www.ebi.ac.uk/chembl/assay_report_card/CHEMBL864081/  target=_blank>CHEMBL864081</a>";;;;;;;;;-5.46;;;;;;;;;;;;"Liederer BM, Fuchs T, Vander Velde D, Siahaan TJ, Borchardt RT.: Effects of amino acid chirality and the chemical linker on the cell permeation characteristics of cyclic prodrugs of opioid peptides. J Med Chem, Volume 49 (4), 2006";ChEMBL
MM475331;MM475331;CC(C)CC1NC(=O)C(Cc2ccccc2)NC(=O)CNC(=O)C(C)NC(=O)C(Cc2ccc(O)cc2)NC(=O)C=Cc2ccccc2OCOC1=O;CQTYKIZQGJDXFK-QFEUDJFPSA-N;727.82;1.91;11505880;;;CHEMBL202083;CACO;ECACO;25;0;"from B to A, <a href=https://www.ebi.ac.uk/chembl/assay_report_card/CHEMBL864082/  target=_blank>CHEMBL864082</a>";;;;;;;;;-5.96;;;;;;;;;;;;"Liederer BM, Fuchs T, Vander Velde D, Siahaan TJ, Borchardt RT.: Effects of amino acid chirality and the chemical linker on the cell permeation characteristics of cyclic prodrugs of opioid peptides. J Med Chem, Volume 49 (4), 2006";ChEMBL
MM475331;MM475331;CC(C)CC1NC(=O)C(Cc2ccccc2)NC(=O)CNC(=O)C(C)NC(=O)C(Cc2ccc(O)cc2)NC(=O)C=Cc2ccccc2OCOC1=O;CQTYKIZQGJDXFK-QFEUDJFPSA-N;727.82;1.91;11505880;;;CHEMBL202083;CACO;ECACO;25;0;"from B to A, <a href=https://www.ebi.ac.uk/chembl/assay_report_card/CHEMBL865286/  target=_blank>CHEMBL865286</a>";;;;;;;;;-6.23;;;;;;;;;;;;"Liederer BM, Fuchs T, Vander Velde D, Siahaan TJ, Borchardt RT.: Effects of amino acid chirality and the chemical linker on the cell permeation characteristics of cyclic prodrugs of opioid peptides. J Med Chem, Volume 49 (4), 2006";ChEMBL
MM475331;MM475331;CC(C)CC1NC(=O)C(Cc2ccccc2)NC(=O)CNC(=O)C(C)NC(=O)C(Cc2ccc(O)cc2)NC(=O)C=Cc2ccccc2OCOC1=O;CQTYKIZQGJDXFK-QFEUDJFPSA-N;727.82;1.91;11505880;;;CHEMBL202083;CACO;ECACO;25;0;"from B to A, <a href=https://www.ebi.ac.uk/chembl/assay_report_card/CHEMBL865287/  target=_blank>CHEMBL865287</a>";;;;;;;;;-6.05;;;;;;;;;;;;"Liederer BM, Fuchs T, Vander Velde D, Siahaan TJ, Borchardt RT.: Effects of amino acid chirality and the chemical linker on the cell permeation characteristics of cyclic prodrugs of opioid peptides. J Med Chem, Volume 49 (4), 2006";ChEMBL
MM475340;MM475340;Cn1cc(C#N)c2ccccc21;;156.19;2.05;2307681;;;CHEMBL205035;CACO;ECACO;25;0;"from B to A, <a href=https://www.ebi.ac.uk/chembl/assay_report_card/CHEMBL870727/  target=_blank>CHEMBL870727</a>";;;;;;;;;-4.43;;;;;;;;;;;;"Beevers RE, Buckley GM, Davies N, Fraser JL, Galvin FC, Hannah DR, Haughan AF, Jenkins K, Mack SR, Pitt WR, Ratcliffe AJ, Richard MD, Sabin V, Sharpe A, Williams SC.: Novel indole inhibitors of IMPDH from fragments: synthesis and initial structure-activity relationships. Bioorg Med Chem Lett, Volume 16 (9), 2006";ChEMBL
MM475343;MM475343;COc1ccccc1Oc1cccc(CN2CCC(NC(=O)C3(c4ccccc4)CCNCC3)CC2)c1;;499.66;4.89;11533398;;;CHEMBL205447;CACO;ECACO;25;0;"from B to A, <a href=https://www.ebi.ac.uk/chembl/assay_report_card/CHEMBL870776/  target=_blank>CHEMBL870776</a>";;;;;;;;;-4.7;;;;;;;;;;;;"Ghosh S, Elder A, Guo J, Mani U, Patane M, Carson K, Ye Q, Bennett R, Chi S, Jenkins T, Guan B, Kolbeck R, Smith S, Zhang C, LaRosa G, Jaffee B, Yang H, Eddy P, Lu C, Uttamsingh V, Horlick R, Harriman G, Flynn D.: Design, synthesis, and progress toward optimization of potent small molecule antagonists of CC chemokine receptor 8 (CCR8). J Med Chem, Volume 49 (9), 2006";ChEMBL
MM475363;MM475363;CN(C(=O)Nc1ccc2c(-c3ccncc3)c[nH]c2c1)c1ccccc1;;342.4;4.9;11962096;;;CHEMBL206886;CACO;ECACO;25;0;"from B to A, <a href=https://www.ebi.ac.uk/chembl/assay_report_card/CHEMBL870727/  target=_blank>CHEMBL870727</a>";;;;;;;;;-5.17;;;;;;;;;;;;"Beevers RE, Buckley GM, Davies N, Fraser JL, Galvin FC, Hannah DR, Haughan AF, Jenkins K, Mack SR, Pitt WR, Ratcliffe AJ, Richard MD, Sabin V, Sharpe A, Williams SC.: Novel indole inhibitors of IMPDH from fragments: synthesis and initial structure-activity relationships. Bioorg Med Chem Lett, Volume 16 (9), 2006";ChEMBL
MM475383;MM475383;CC(c1ccc(Cl)cc1)N1C(=O)c2cc(I)ccc2N(CCCCC(=O)O)C(=O)C1c1ccc(Cl)cc1;;651.33;7.14;11952815;;;CHEMBL210151;CACO;ECACO;25;0;"from B to A, <a href=https://www.ebi.ac.uk/chembl/assay_report_card/CHEMBL853095/  target=_blank>CHEMBL853095</a>";;;;;;;;;-4.89;;;;;;;;;;;;"Parks DJ, LaFrance LV, Calvo RR, Milkiewicz KL, Marugán JJ, Raboisson P, Schubert C, Koblish HK, Zhao S, Franks CF, Lattanze J, Carver TE, Cummings MD, Maguire D, Grasberger BL, Maroney AC, Lu T.: Enhanced pharmacokinetic properties of 1,4-benzodiazepine-2,5-dione antagonists of the HDM2-p53 protein-protein interaction through structure-based drug design. Bioorg Med Chem Lett, Volume 16 (12), 2006";ChEMBL
MM475385;MM475385;CC#Cc1ccc2c(c1)C(=O)N(C(C)c1ccc(Cl)cc1)C(c1ccc(Cl)cc1)C(=O)N2CCCCC(=O)O;;563.48;6.91;11953254;;;CHEMBL210913;CACO;ECACO;25;0;"from B to A, <a href=https://www.ebi.ac.uk/chembl/assay_report_card/CHEMBL853095/  target=_blank>CHEMBL853095</a>";;;;;;;;;-5.04;;;;;;;;;;;;"Parks DJ, LaFrance LV, Calvo RR, Milkiewicz KL, Marugán JJ, Raboisson P, Schubert C, Koblish HK, Zhao S, Franks CF, Lattanze J, Carver TE, Cummings MD, Maguire D, Grasberger BL, Maroney AC, Lu T.: Enhanced pharmacokinetic properties of 1,4-benzodiazepine-2,5-dione antagonists of the HDM2-p53 protein-protein interaction through structure-based drug design. Bioorg Med Chem Lett, Volume 16 (12), 2006";ChEMBL
MM475396;MM475396;CC(C)c1nnc2ccc(-c3nc[nH]c3-c3cc(F)ccc3F)cn12;;339.35;4.19;23647350;;;CHEMBL214152;CACO;ECACO;25;0;"from B to A, <a href=https://www.ebi.ac.uk/chembl/assay_report_card/CHEMBL869164/  target=_blank>CHEMBL869164</a>";;;;;;;;;-4.49;;;;;;;;;;;;"McClure KF, Letavic MA, Kalgutkar AS, Gabel CA, Audoly L, Barberia JT, Braganza JF, Carter D, Carty TJ, Cortina SR, Dombroski MA, Donahue KM, Elliott NC, Gibbons CP, Jordan CK, Kuperman AV, Labasi JM, Laliberte RE, McCoy JM, Naiman BM, Nelson KL, Nguyen HT, Peese KM, Sweeney FJ, Taylor TJ, Trebino CE, Abramov YA, Laird ER, Volberg WA, Zhou J, Bach J, Lombardo F.: Structure-activity relationships of triazolopyridine oxazole p38 inhibitors: identification of candidates for clinical development. Bioorg Med Chem Lett, Volume 16 (16), 2006";ChEMBL
MM475398;MM475398;CC(C)c1nnc2ccc(-c3cn[nH]c3-c3cc(F)ccc3F)cn12;;339.35;4.19;23647348;;;CHEMBL214198;CACO;ECACO;25;0;"from B to A, <a href=https://www.ebi.ac.uk/chembl/assay_report_card/CHEMBL869164/  target=_blank>CHEMBL869164</a>";;;;;;;;;-4.74;;;;;;;;;;;;"McClure KF, Letavic MA, Kalgutkar AS, Gabel CA, Audoly L, Barberia JT, Braganza JF, Carter D, Carty TJ, Cortina SR, Dombroski MA, Donahue KM, Elliott NC, Gibbons CP, Jordan CK, Kuperman AV, Labasi JM, Laliberte RE, McCoy JM, Naiman BM, Nelson KL, Nguyen HT, Peese KM, Sweeney FJ, Taylor TJ, Trebino CE, Abramov YA, Laird ER, Volberg WA, Zhou J, Bach J, Lombardo F.: Structure-activity relationships of triazolopyridine oxazole p38 inhibitors: identification of candidates for clinical development. Bioorg Med Chem Lett, Volume 16 (16), 2006";ChEMBL
MM30965;MM30965;COc1ccccc1CC(c1ccccc1)N1CCNCC1;PFTJCYRHNKTTTO-UHFFFAOYSA-N;296.41;2.88;44414722;;;CHEMBL214335;CACO;ECACO;25;0;"from B to A, <a href=https://www.ebi.ac.uk/chembl/assay_report_card/CHEMBL1120627/  target=_blank>CHEMBL1120627</a>";;;;;;;;;-4.43;;;;;;;;;;;;"Fray MJ, Fish PV, Allan GA, Bish G, Clarke N, Eccles R, Harrison AC, Le Net JL, Phillips SC, Regan N, Sobry C, Stobie A, Wakenhut F, Westbrook D, Westbrook SL, Whitlock GA.: Second generation N-(1,2-diphenylethyl)piperazines as dual serotonin and noradrenaline reuptake inhibitors: improving metabolic stability and reducing ion channel activity. Bioorg Med Chem Lett, Volume 20 (12), 2010";ChEMBL
MM475404;MM475404;O=C(O)COc1ccc(Br)cc1C(=O)c1cnn(-c2ccccc2)c1;;401.22;3.33;11647012;;;CHEMBL217053;CACO;ECACO;25;0;"from B to A, <a href=https://www.ebi.ac.uk/chembl/assay_report_card/CHEMBL908270/  target=_blank>CHEMBL908270</a>";;;;;;;;;-4.89;;;;;;;;;;;;"Ulven T, Receveur JM, Grimstrup M, Rist Ø, Frimurer TM, Gerlach LO, Mathiesen JM, Kostenis E, Uller L, Högberg T.: Novel selective orally active CRTH2 antagonists for allergic inflammation developed from in silico derived hits. J Med Chem, Volume 49 (23), 2006";ChEMBL
MM475406;MM475406;CCOC(=O)N1CCC(NS(=O)(=O)c2ccc(NC(=O)c3ccccc3C)c3ccccc23)CC1;;495.6;4.3;16105788;;;CHEMBL218375;CACO;ECACO;25;0;"from B to A, <a href=https://www.ebi.ac.uk/chembl/assay_report_card/CHEMBL855764/  target=_blank>CHEMBL855764</a>";;;;;;;;;-4.62;;;;;;;;;;;;"Jenkins TJ, Guan B, Dai M, Li G, Lightburn TE, Huang S, Freeze BS, Burdi DF, Jacutin-Porte S, Bennett R, Chen W, Minor C, Ghosh S, Blackburn C, Gigstad KM, Jones M, Kolbeck R, Yin W, Smith S, Cardillo D, Ocain TD, Harriman GC.: Design, synthesis, and evaluation of naphthalene-sulfonamide antagonists of human CCR8. J Med Chem, Volume 50 (3), 2007";ChEMBL
MM475410;MM475410;CCNC(=O)N1CCC(NS(=O)(=O)c2ccc(NC(=O)c3ccccc3C)c3ccccc23)CC1;;494.62;3.87;16105889;;;CHEMBL220701;CACO;ECACO;25;0;"from B to A, <a href=https://www.ebi.ac.uk/chembl/assay_report_card/CHEMBL855764/  target=_blank>CHEMBL855764</a>";;;;;;;;;-4.66;;;;;;;;;;;;"Jenkins TJ, Guan B, Dai M, Li G, Lightburn TE, Huang S, Freeze BS, Burdi DF, Jacutin-Porte S, Bennett R, Chen W, Minor C, Ghosh S, Blackburn C, Gigstad KM, Jones M, Kolbeck R, Yin W, Smith S, Cardillo D, Ocain TD, Harriman GC.: Design, synthesis, and evaluation of naphthalene-sulfonamide antagonists of human CCR8. J Med Chem, Volume 50 (3), 2007";ChEMBL
MM472530;MM472530;COc1nn(CSP(=S)(OC)OC)c(=O)s1;;302.34;1.52;;;;CHEMBL226651;CACO;ECACO;25;0;"from B to A, <a href=https://www.ebi.ac.uk/chembl/assay_report_card/CHEMBL905617/  target=_blank>CHEMBL905617</a>";;;;;;;;;-4.42;;;;;;;;;;;;"Fujikawa M, Nakao K, Shimizu R, Akamatsu M.: QSAR study on permeability of hydrophobic compounds with artificial membranes. Bioorg Med Chem, Volume 15 (11), 3756-3767, 2007";ChEMBL
MM472525;MM472525;CCc1ccc(C(=O)NN(C(=O)c2cc(C)cc(C)c2)C(C)(C)C)cc1;;352.48;4.45;;;;CHEMBL226968;CACO;ECACO;25;0;"from B to A, <a href=https://www.ebi.ac.uk/chembl/assay_report_card/CHEMBL905617/  target=_blank>CHEMBL905617</a>";;;;;;;;;-4.39;;;;;;;;;;;;"Fujikawa M, Nakao K, Shimizu R, Akamatsu M.: QSAR study on permeability of hydrophobic compounds with artificial membranes. Bioorg Med Chem, Volume 15 (11), 3756-3767, 2007";ChEMBL
MM475421;MM475421;CC1(C)C2=C3CC4C5=[N+](CCC4OC3CCN2c2ccc(CC(=O)NCCCCCCN(CCOc3ccc(NS(C)(=O)=O)cc3)CCc3ccc(NS(C)(=O)=O)cc3)cc21)c1ccc(S(=O)(=O)[O-])cc1C5(C)C;;1071.4;7.19;;;;CHEMBL227000;CACO;ECACO;25;+1,-1;"from B to A, <a href=https://www.ebi.ac.uk/chembl/assay_report_card/CHEMBL889310/  target=_blank>CHEMBL889310</a>";;;;;;;;;-5.32;;;;;;;;;;;;"Singleton DH, Boyd H, Steidl-Nichols JV, Deacon M, Groot MJ, Price D, Nettleton DO, Wallace NK, Troutman MD, Williams C, Boyd JG.: Fluorescently labeled analogues of dofetilide as high-affinity fluorescence polarization ligands for the human ether-a-go-go-related gene (hERG) channel. J Med Chem, Volume 50 (13), 2007";ChEMBL
MM475422;MM475422;CS(=O)(=O)Nc1ccc(CCN(CCOc2ccc(NS(C)(=O)=O)cc2)c2ccc([N+](=O)[O-])c3nonc23)cc1;;590.64;3;;;;CHEMBL227134;CACO;ECACO;25;+1,-1;"from B to A, <a href=https://www.ebi.ac.uk/chembl/assay_report_card/CHEMBL889310/  target=_blank>CHEMBL889310</a>";;;;;;;;;-4.74;;;;;;;;;;;;"Singleton DH, Boyd H, Steidl-Nichols JV, Deacon M, Groot MJ, Price D, Nettleton DO, Wallace NK, Troutman MD, Williams C, Boyd JG.: Fluorescently labeled analogues of dofetilide as high-affinity fluorescence polarization ligands for the human ether-a-go-go-related gene (hERG) channel. J Med Chem, Volume 50 (13), 2007";ChEMBL
MM475423;MM475423;O=C(O)CC(c1cccnc1)n1ccc2c(CCc3ccc4c(n3)NCCC4)cccc21;;426.52;4.64;11965389;;;CHEMBL228605;CACO;ECACO;25;0;"from B to A, <a href=https://www.ebi.ac.uk/chembl/assay_report_card/CHEMBL887268/  target=_blank>CHEMBL887268</a>";;;;;;;;;-5.6;;;;;;;;;;;;"Raboisson P, Desjarlais RL, Reed R, Lattanze J, Chaikin M, Manthey CL, Tomczuk BE, Marugán JJ.: Identification of novel short chain 4-substituted indoles as potent alphavbeta3 antagonist using structure-based drug design. Eur J Med Chem, Volume 42 (3), 2007";ChEMBL
MM475431;MM475431;COc1ccc(CCC2(C3CCCC3)CC(O)=C(Sc3nc4nc(C)cc(C)n4n3)C(=O)O2)cc1Cl;;529.06;5.77;54720332;;;CHEMBL230532;CACO;ECACO;25;0;"from B to A, <a href=https://www.ebi.ac.uk/chembl/assay_report_card/CHEMBL894282/  target=_blank>CHEMBL894282</a>";;;;;;;;;-5.64;;;;;;;;;;;;"Li H, Linton A, Tatlock J, Gonzalez J, Borchardt A, Abreo M, Jewell T, Patel L, Drowns M, Ludlum S, Goble M, Yang M, Blazel J, Rahavendran R, Skor H, Shi S, Lewis C, Fuhrman S.: Allosteric inhibitors of hepatitis C polymerase: discovery of potent and orally bioavailable carbon-linked dihydropyrones. J Med Chem, Volume 50 (17), 2007";ChEMBL
MM475432;MM475432;COc1ccc(CCC2(C3CCCC3)CC(O)=C(Cc3nc4nc(C)cc(C)n4n3)C(=O)O2)cc1Cl;;511.02;5.27;54736487;;;CHEMBL230533;CACO;ECACO;25;0;"from B to A, <a href=https://www.ebi.ac.uk/chembl/assay_report_card/CHEMBL894282/  target=_blank>CHEMBL894282</a>";;;;;;;;;-5.17;;;;;;;;;;;;"Li H, Linton A, Tatlock J, Gonzalez J, Borchardt A, Abreo M, Jewell T, Patel L, Drowns M, Ludlum S, Goble M, Yang M, Blazel J, Rahavendran R, Skor H, Shi S, Lewis C, Fuhrman S.: Allosteric inhibitors of hepatitis C polymerase: discovery of potent and orally bioavailable carbon-linked dihydropyrones. J Med Chem, Volume 50 (17), 2007";ChEMBL
MM475439;MM475439;Cn1cncc1CN1CC(N(Cc2ccc(S(C)(=O)=O)cc2)S(=O)(=O)c2ccccn2)Cc2cc(C#N)ccc21;;576.7;2.91;17758539;;;CHEMBL232526;CACO;ECACO;25;0;"from B to A, <a href=https://www.ebi.ac.uk/chembl/assay_report_card/CHEMBL967839/  target=_blank>CHEMBL967839</a>";;;;;;;;;-4.3;;;;;;;;;;;;"Van Voorhis WC, Rivas KL, Bendale P, Nallan L, Hornéy C, Barrett LK, Bauer KD, Smart BP, Ankala S, Hucke O, Verlinde CL, Chakrabarti D, Strickland C, Yokoyama K, Buckner FS, Hamilton AD, Williams DK, Lombardo LJ, Floyd D, Gelb MH.: Efficacy, pharmacokinetics, and metabolism of tetrahydroquinoline inhibitors of Plasmodium falciparum protein farnesyltransferase. Antimicrob Agents Chemother, Volume 51 (10), 2007";ChEMBL
MM475440;MM475440;O=C(O)CN1C(=O)C(NC(=O)c2cc3sc(Cl)c(Cl)c3[nH]2)Cc2ccccc21;;438.29;3.31;9980551;;;CHEMBL232627;CACO;ECACO;25;0;"from B to A, <a href=https://www.ebi.ac.uk/chembl/assay_report_card/CHEMBL889964/  target=_blank>CHEMBL889964</a>";;;;;;;;;-4.96;;;;;;;;;;;;"Birch AM, Kenny PW, Oikonomakos NG, Otterbein L, Schofield P, Whittamore PR, Whalley DP.: Development of potent, orally active 1-substituted-3,4-dihydro-2-quinolone glycogen phosphorylase inhibitors. Bioorg Med Chem Lett, Volume 17 (2), 2007";ChEMBL
MM475443;MM475443;O=C(CN1C(=O)C(NC(=O)c2cc3cc(Cl)sc3[nH]2)Cc2ccccc21)NCCO;;446.92;1.68;10026604;;;CHEMBL233035;CACO;ECACO;25;0;"from B to A, <a href=https://www.ebi.ac.uk/chembl/assay_report_card/CHEMBL889964/  target=_blank>CHEMBL889964</a>";;;;;;;;;-4.85;;;;;;;;;;;;"Birch AM, Kenny PW, Oikonomakos NG, Otterbein L, Schofield P, Whittamore PR, Whalley DP.: Development of potent, orally active 1-substituted-3,4-dihydro-2-quinolone glycogen phosphorylase inhibitors. Bioorg Med Chem Lett, Volume 17 (2), 2007";ChEMBL
MM475460;MM475460;Cn1cnc(S(=O)(=O)N(CCn2cccc2)C2Cc3cc(C#N)ccc3N(Cc3cncn3C)C2)c1;;504.62;2.15;17759285;;;CHEMBL234578;CACO;ECACO;25;0;"from B to A, <a href=https://www.ebi.ac.uk/chembl/assay_report_card/CHEMBL967839/  target=_blank>CHEMBL967839</a>";;;;;;;;;-4.28;;;;;;;;;;;;"Van Voorhis WC, Rivas KL, Bendale P, Nallan L, Hornéy C, Barrett LK, Bauer KD, Smart BP, Ankala S, Hucke O, Verlinde CL, Chakrabarti D, Strickland C, Yokoyama K, Buckner FS, Hamilton AD, Williams DK, Lombardo LJ, Floyd D, Gelb MH.: Efficacy, pharmacokinetics, and metabolism of tetrahydroquinoline inhibitors of Plasmodium falciparum protein farnesyltransferase. Antimicrob Agents Chemother, Volume 51 (10), 2007";ChEMBL
MM475461;MM475461;Cn1cnc(S(=O)(=O)N(Cc2ccc(C(F)(F)F)o2)C2Cc3cc(C#N)ccc3N(Cc3cncn3C)C2)c1;;559.57;3.46;17758113;;;CHEMBL234579;CACO;ECACO;25;0;"from B to A, <a href=https://www.ebi.ac.uk/chembl/assay_report_card/CHEMBL967839/  target=_blank>CHEMBL967839</a>";;;;;;;;;-4.14;;;;;;;;;;;;"Van Voorhis WC, Rivas KL, Bendale P, Nallan L, Hornéy C, Barrett LK, Bauer KD, Smart BP, Ankala S, Hucke O, Verlinde CL, Chakrabarti D, Strickland C, Yokoyama K, Buckner FS, Hamilton AD, Williams DK, Lombardo LJ, Floyd D, Gelb MH.: Efficacy, pharmacokinetics, and metabolism of tetrahydroquinoline inhibitors of Plasmodium falciparum protein farnesyltransferase. Antimicrob Agents Chemother, Volume 51 (10), 2007";ChEMBL
MM475463;MM475463;O=C(NC1Cc2ccccc2N(CC(O)CO)C1=O)c1cc2cc(Cl)sc2[nH]1;;419.89;1.92;10477191;;;CHEMBL234951;CACO;ECACO;25;0;"from B to A, <a href=https://www.ebi.ac.uk/chembl/assay_report_card/CHEMBL889964/  target=_blank>CHEMBL889964</a>";;;;;;;;;-4.54;;;;;;;;;;;;"Birch AM, Kenny PW, Oikonomakos NG, Otterbein L, Schofield P, Whittamore PR, Whalley DP.: Development of potent, orally active 1-substituted-3,4-dihydro-2-quinolone glycogen phosphorylase inhibitors. Bioorg Med Chem Lett, Volume 17 (2), 2007";ChEMBL
MM475490;MM475490;COc1cccc(OC)c1CNC(=O)c1cc2cc(CC(C)NCC(O)c3ccc(O)c(CO)c3)ccc2[nH]1;WTBGOYCHEVMMHF-CLYVBNDRSA-N;533.63;3.57;10324803;;;CHEMBL237501;CACO;ECACO;25;0;"from B to A, <a href=https://www.ebi.ac.uk/chembl/assay_report_card/CHEMBL899321/  target=_blank>CHEMBL899321</a>";;;;;;;;;-4.85;;;;;;;;;;;;"Brown AD, Bunnage ME, Glossop PA, Holbrook M, Jones RD, Lane CA, Lewthwaite RA, Mantell S, Perros-Huguet C, Price DA, Webster R.: The discovery of indole-derived long acting beta2-adrenoceptor agonists for the treatment of asthma and COPD. Bioorg Med Chem Lett, Volume 17 (22), 2007";ChEMBL
MM475495;MM475495;CC1OC(c2ccc(Cl)cc2)OCC1NC(=O)Cc1ccccc1;;345.83;3.5;44435079;;;CHEMBL238765;CACO;ECACO;25;0;"from B to A, <a href=https://www.ebi.ac.uk/chembl/assay_report_card/CHEMBL923279/  target=_blank>CHEMBL923279</a>";;;;;;;;;-5.16;;;;;;;;;;;;"Gu K, Bi L, Zhao M, Wang C, Ju J, Peng S.: Toward the development of chemoprevention agents. Part II: Chemo-enzymatic synthesis and anti-inflammatory activities of a new class of 5-amino-2-substitutedphenyl-1,3-dioxacycloalkanes. Bioorg Med Chem, Volume 15 (18), 2007";ChEMBL
MM475497;MM475497;CC1OC(C=Cc2ccccc2)OCC1NC(=O)Cc1ccccc1;;337.42;3.19;44435127;;;CHEMBL238995;CACO;ECACO;25;0;"from B to A, <a href=https://www.ebi.ac.uk/chembl/assay_report_card/CHEMBL923279/  target=_blank>CHEMBL923279</a>";;;;;;;;;-5.15;;;;;;;;;;;;"Gu K, Bi L, Zhao M, Wang C, Ju J, Peng S.: Toward the development of chemoprevention agents. Part II: Chemo-enzymatic synthesis and anti-inflammatory activities of a new class of 5-amino-2-substitutedphenyl-1,3-dioxacycloalkanes. Bioorg Med Chem, Volume 15 (18), 2007";ChEMBL
MM475501;MM475501;C[C@@H]1O[C@@H](c2ccc([N+](=O)[O-])cc2)OC[C@H]1NC(=O)Cc1ccccc1;;356.38;2.76;;;;CHEMBL239623;CACO;ECACO;25;+1,-1;"from B to A, <a href=https://www.ebi.ac.uk/chembl/assay_report_card/CHEMBL923279/  target=_blank>CHEMBL923279</a>";;;;;;;;;-5.16;;;;;;;;;;;;"Gu K, Bi L, Zhao M, Wang C, Ju J, Peng S.: Toward the development of chemoprevention agents. Part II: Chemo-enzymatic synthesis and anti-inflammatory activities of a new class of 5-amino-2-substitutedphenyl-1,3-dioxacycloalkanes. Bioorg Med Chem, Volume 15 (18), 2007";ChEMBL
MM475502;MM475502;C[C@@H]1O[C@H](c2ccc([N+](=O)[O-])cc2)OC[C@H]1NC(=O)Cc1ccccc1;;356.38;2.76;;;;CHEMBL239838;CACO;ECACO;25;+1,-1;"from B to A, <a href=https://www.ebi.ac.uk/chembl/assay_report_card/CHEMBL923279/  target=_blank>CHEMBL923279</a>";;;;;;;;;-5.16;;;;;;;;;;;;"Gu K, Bi L, Zhao M, Wang C, Ju J, Peng S.: Toward the development of chemoprevention agents. Part II: Chemo-enzymatic synthesis and anti-inflammatory activities of a new class of 5-amino-2-substitutedphenyl-1,3-dioxacycloalkanes. Bioorg Med Chem, Volume 15 (18), 2007";ChEMBL
MM475503;MM475503;O=C(Cc1ccccc1)NC1COC(C=Cc2ccccc2)OC1;;323.39;2.8;44435125;;;CHEMBL239851;CACO;ECACO;25;0;"from B to A, <a href=https://www.ebi.ac.uk/chembl/assay_report_card/CHEMBL923279/  target=_blank>CHEMBL923279</a>";;;;;;;;;-5.1;;;;;;;;;;;;"Gu K, Bi L, Zhao M, Wang C, Ju J, Peng S.: Toward the development of chemoprevention agents. Part II: Chemo-enzymatic synthesis and anti-inflammatory activities of a new class of 5-amino-2-substitutedphenyl-1,3-dioxacycloalkanes. Bioorg Med Chem, Volume 15 (18), 2007";ChEMBL
Atenolol;MM00078;CC(C)NCC(O)COc1ccc(CC(N)=O)cc1;METKIMKYRPQLGS-GFCCVEGCSA-N;266.34;0.45;2249;DB00335;;CHEMBL24;CACO;ECACO;25;0;"from B to A, <a href=https://www.ebi.ac.uk/chembl/assay_report_card/CHEMBL1050862/  target=_blank>CHEMBL1050862</a>";;;;;;;;;-5.92;;;;;;;;;;;;"Rai G, Sayed AA, Lea WA, Luecke HF, Chakrapani H, Prast-Nielsen S, Jadhav A, Leister W, Shen M, Inglese J, Austin CP, Keefer L, Arnér ES, Simeonov A, Maloney DJ, Williams DL, Thomas CJ.: Structure mechanism insights and the role of nitric oxide donation guide the development of oxadiazole-2-oxides as therapeutic agents against schistosomiasis. J Med Chem, Volume 52 (20), 2009";ChEMBL
MM475510;MM475510;C=C(c1ccccc1)C1OCC(N)CO1;;205.26;1.4;44438013;;;CHEMBL240618;CACO;ECACO;25;0;"from B to A, <a href=https://www.ebi.ac.uk/chembl/assay_report_card/CHEMBL923279/  target=_blank>CHEMBL923279</a>";;;;;;;;;-5.15;;;;;;;;;;;;"Gu K, Bi L, Zhao M, Wang C, Ju J, Peng S.: Toward the development of chemoprevention agents. Part II: Chemo-enzymatic synthesis and anti-inflammatory activities of a new class of 5-amino-2-substitutedphenyl-1,3-dioxacycloalkanes. Bioorg Med Chem, Volume 15 (18), 2007";ChEMBL
MM475533;MM475533;CC(C)CC(CCNC(=O)C(C)CCNC(=O)C(CCN)C(C)C)C(=O)O;;385.55;2;23631915;;;CHEMBL244341;CACO;ECACO;25;0;"from B to A, <a href=https://www.ebi.ac.uk/chembl/assay_report_card/CHEMBL896859/  target=_blank>CHEMBL896859</a>";;;;;;;;;-7.03;;;;;;;;;;;;"Hubatsch I, Arvidsson PI, Seebach D, Luthman K, Artursson P.: Beta- and gamma-di- and tripeptides as potential substrates for the oligopeptide transporter hPepT1. J Med Chem, Volume 50 (21), 2007";ChEMBL
MM475534;MM475534;CN(C(=O)CCC(C1CCCCC1)N1Cc2cc(Oc3ccccc3)ccc2N=C1N)C1CCCCC1;;502.7;6.76;16741239;;;CHEMBL244347;CACO;ECACO;25;0;"from B to A, <a href=https://www.ebi.ac.uk/chembl/assay_report_card/CHEMBL895733/  target=_blank>CHEMBL895733</a>";;;;;;;;;-5.47;;;;;;;;;;;;"Baxter EW, Conway KA, Kennis L, Bischoff F, Mercken MH, Winter HL, Reynolds CH, Tounge BA, Luo C, Scott MK, Huang Y, Braeken M, Pieters SM, Berthelot DJ, Masure S, Bruinzeel WD, Jordan AD, Parker MH, Boyd RE, Qu J, Alexander RS, Brenneman DE, Reitz AB.: 2-Amino-3,4-dihydroquinazolines as inhibitors of BACE-1 (beta-site APP cleaving enzyme): Use of structure based design to convert a micromolar hit into a nanomolar lead. J Med Chem, Volume 50 (18), 2007";ChEMBL
MM475539;MM475539;NCCCCC(CC(=O)NC(CC(=O)O)Cc1ccccc1)NC(=O)CC(N)CO;;422.53;-0.1;23630625;;;CHEMBL244543;CACO;ECACO;25;0;"from B to A, <a href=https://www.ebi.ac.uk/chembl/assay_report_card/CHEMBL896859/  target=_blank>CHEMBL896859</a>";;;;;;;;;-7.15;;;;;;;;;;;;"Hubatsch I, Arvidsson PI, Seebach D, Luthman K, Artursson P.: Beta- and gamma-di- and tripeptides as potential substrates for the oligopeptide transporter hPepT1. J Med Chem, Volume 50 (21), 2007";ChEMBL
MM475540;MM475540;CC(N)CC(=O)NC(CCCCN)CC(=O)NC(CC(=O)O)Cc1ccccc1;;406.53;0.93;23630621;;;CHEMBL244544;CACO;ECACO;25;0;"from B to A, <a href=https://www.ebi.ac.uk/chembl/assay_report_card/CHEMBL896859/  target=_blank>CHEMBL896859</a>";;;;;;;;;-7.21;;;;;;;;;;;;"Hubatsch I, Arvidsson PI, Seebach D, Luthman K, Artursson P.: Beta- and gamma-di- and tripeptides as potential substrates for the oligopeptide transporter hPepT1. J Med Chem, Volume 50 (21), 2007";ChEMBL
MM475541;MM475541;CC(C)CC(CNC(=O)C(C)CNC(=O)C(CN)C(C)C)C(=O)O;;343.47;0.83;23630627;;;CHEMBL244545;CACO;ECACO;25;0;"from B to A, <a href=https://www.ebi.ac.uk/chembl/assay_report_card/CHEMBL896859/  target=_blank>CHEMBL896859</a>";;;;;;;;;-7.15;;;;;;;;;;;;"Hubatsch I, Arvidsson PI, Seebach D, Luthman K, Artursson P.: Beta- and gamma-di- and tripeptides as potential substrates for the oligopeptide transporter hPepT1. J Med Chem, Volume 50 (21), 2007";ChEMBL
MM475543;MM475543;CC(N)CC(=O)NC(CCCCN)CC(=O)O;;245.32;-0.19;23630629;;;CHEMBL244755;CACO;ECACO;25;0;"from B to A, <a href=https://www.ebi.ac.uk/chembl/assay_report_card/CHEMBL896859/  target=_blank>CHEMBL896859</a>";;;;;;;;;-7.11;;;;;;;;;;;;"Hubatsch I, Arvidsson PI, Seebach D, Luthman K, Artursson P.: Beta- and gamma-di- and tripeptides as potential substrates for the oligopeptide transporter hPepT1. J Med Chem, Volume 50 (21), 2007";ChEMBL
MM475544;MM475544;CC(C)CC(CC(=O)O)NC(=O)C(C)CN;;230.31;0.59;23630523;;;CHEMBL244776;CACO;ECACO;25;0;"from B to A, <a href=https://www.ebi.ac.uk/chembl/assay_report_card/CHEMBL896859/  target=_blank>CHEMBL896859</a>";;;;;;;;;-7.08;;;;;;;;;;;;"Hubatsch I, Arvidsson PI, Seebach D, Luthman K, Artursson P.: Beta- and gamma-di- and tripeptides as potential substrates for the oligopeptide transporter hPepT1. J Med Chem, Volume 50 (21), 2007";ChEMBL
MM475545;MM475545;CC(C)CC(CC(=O)O)NC(=O)CC(C)N;;230.31;0.73;23630821;;;CHEMBL244777;CACO;ECACO;25;0;"from B to A, <a href=https://www.ebi.ac.uk/chembl/assay_report_card/CHEMBL896859/  target=_blank>CHEMBL896859</a>";;;;;;;;;-6.89;;;;;;;;;;;;"Hubatsch I, Arvidsson PI, Seebach D, Luthman K, Artursson P.: Beta- and gamma-di- and tripeptides as potential substrates for the oligopeptide transporter hPepT1. J Med Chem, Volume 50 (21), 2007";ChEMBL
MM475548;MM475548;C=C(c1ccccc1)[C@H]1OC[C@H](N)CO1;;205.26;1.4;;;;CHEMBL245415;CACO;ECACO;25;0;"from B to A, <a href=https://www.ebi.ac.uk/chembl/assay_report_card/CHEMBL923279/  target=_blank>CHEMBL923279</a>";;;;;;;;;-5.15;;;;;;;;;;;;"Gu K, Bi L, Zhao M, Wang C, Ju J, Peng S.: Toward the development of chemoprevention agents. Part II: Chemo-enzymatic synthesis and anti-inflammatory activities of a new class of 5-amino-2-substitutedphenyl-1,3-dioxacycloalkanes. Bioorg Med Chem, Volume 15 (18), 2007";ChEMBL
MM475550;MM475550;C[C@@H]1O[C@@H](c2ccc([N+](=O)[O-])cc2)OC[C@H]1N;;238.24;1.36;;;;CHEMBL245809;CACO;ECACO;25;+1,-1;"from B to A, <a href=https://www.ebi.ac.uk/chembl/assay_report_card/CHEMBL923279/  target=_blank>CHEMBL923279</a>";;;;;;;;;-5.16;;;;;;;;;;;;"Gu K, Bi L, Zhao M, Wang C, Ju J, Peng S.: Toward the development of chemoprevention agents. Part II: Chemo-enzymatic synthesis and anti-inflammatory activities of a new class of 5-amino-2-substitutedphenyl-1,3-dioxacycloalkanes. Bioorg Med Chem, Volume 15 (18), 2007";ChEMBL
MM475556;MM475556;CN(C)CC1CCC(CNc2nc(NCc3ccccc3Cl)ncc2[N+](=O)[O-])CC1;;432.96;4.43;;;;CHEMBL246160;CACO;ECACO;25;+1,-1;"from B to A, <a href=https://www.ebi.ac.uk/chembl/assay_report_card/CHEMBL902311/  target=_blank>CHEMBL902311</a>";;;;;;;;;-4.99;;;;;;;;;;;;"Cywin CL, Dahmann G, Prokopowicz AS, Young ER, Magolda RL, Cardozo MG, Cogan DA, Disalvo D, Ginn JD, Kashem MA, Wolak JP, Homon CA, Farrell TM, Grbic H, Hu H, Kaplita PV, Liu LH, Spero DM, Jeanfavre DD, O'Shea KM, White DM, Woska JR, Brown ML.: Discovery of potent and selective PKC-theta inhibitors. Bioorg Med Chem Lett, Volume 17 (1), 2007";ChEMBL
MM475557;MM475557;O=[N+]([O-])c1cnc(NCc2ccccc2Cl)nc1NCC1CCNCC1;;376.85;3.06;;;;CHEMBL246161;CACO;ECACO;25;+1,-1;"from B to A, <a href=https://www.ebi.ac.uk/chembl/assay_report_card/CHEMBL902311/  target=_blank>CHEMBL902311</a>";;;;;;;;;-4.97;;;;;;;;;;;;"Cywin CL, Dahmann G, Prokopowicz AS, Young ER, Magolda RL, Cardozo MG, Cogan DA, Disalvo D, Ginn JD, Kashem MA, Wolak JP, Homon CA, Farrell TM, Grbic H, Hu H, Kaplita PV, Liu LH, Spero DM, Jeanfavre DD, O'Shea KM, White DM, Woska JR, Brown ML.: Discovery of potent and selective PKC-theta inhibitors. Bioorg Med Chem Lett, Volume 17 (1), 2007";ChEMBL
MM475564;MM475564;C[C@@H]1O[C@@H](c2ccc(Cl)cc2)OC[C@H]1NC(=O)Cc1ccccc1;;345.83;3.5;;;;CHEMBL246853;CACO;ECACO;25;0;"from B to A, <a href=https://www.ebi.ac.uk/chembl/assay_report_card/CHEMBL923279/  target=_blank>CHEMBL923279</a>";;;;;;;;;-5.15;;;;;;;;;;;;"Gu K, Bi L, Zhao M, Wang C, Ju J, Peng S.: Toward the development of chemoprevention agents. Part II: Chemo-enzymatic synthesis and anti-inflammatory activities of a new class of 5-amino-2-substitutedphenyl-1,3-dioxacycloalkanes. Bioorg Med Chem, Volume 15 (18), 2007";ChEMBL
MM475567;MM475567;NCC1CCC(CNc2nc(NCc3ccccc3Cl)ncc2[N+](=O)[O-])CC1;;404.9;3.83;;;;CHEMBL246970;CACO;ECACO;25;+1,-1;"from B to A, <a href=https://www.ebi.ac.uk/chembl/assay_report_card/CHEMBL902311/  target=_blank>CHEMBL902311</a>";;;;;;;;;-5.16;;;;;;;;;;;;"Cywin CL, Dahmann G, Prokopowicz AS, Young ER, Magolda RL, Cardozo MG, Cogan DA, Disalvo D, Ginn JD, Kashem MA, Wolak JP, Homon CA, Farrell TM, Grbic H, Hu H, Kaplita PV, Liu LH, Spero DM, Jeanfavre DD, O'Shea KM, White DM, Woska JR, Brown ML.: Discovery of potent and selective PKC-theta inhibitors. Bioorg Med Chem Lett, Volume 17 (1), 2007";ChEMBL
MM475572;MM475572;C=C(c1ccccc1)C1OCC(NC(=O)Cc2ccccc2)C(C)O1;;337.42;3.19;44438159;;;CHEMBL247259;CACO;ECACO;25;0;"from B to A, <a href=https://www.ebi.ac.uk/chembl/assay_report_card/CHEMBL923279/  target=_blank>CHEMBL923279</a>";;;;;;;;;-5.12;;;;;;;;;;;;"Gu K, Bi L, Zhao M, Wang C, Ju J, Peng S.: Toward the development of chemoprevention agents. Part II: Chemo-enzymatic synthesis and anti-inflammatory activities of a new class of 5-amino-2-substitutedphenyl-1,3-dioxacycloalkanes. Bioorg Med Chem, Volume 15 (18), 2007";ChEMBL
MM475574;MM475574;Cc1cc(=O)c2c(O)cc(OC3OC(COC(=O)C4=CCC(C(C)(C)O)CC4)C(O)C(O)C3O)cc2o1;;520.53;1.03;10625791;;;CHEMBL247486;CACO;ECACO;25;0;"from B to A, <a href=https://www.ebi.ac.uk/chembl/assay_report_card/CHEMBL885401/  target=_blank>CHEMBL885401</a>";;;;;;;;;-5.58;;;;;;;;;;;;"Yang XW, Guo QM, Wang Y, Xu W, Tian L, Tian XJ.: Intestinal permeability of antivirus constituents from the fruits of Eucalyptus globulus Labill. in Caco-2 Cell Model. Bioorg Med Chem Lett, Volume 17 (4), 2007";ChEMBL
MM475574;MM475574;Cc1cc(=O)c2c(O)cc(OC3OC(COC(=O)C4=CCC(C(C)(C)O)CC4)C(O)C(O)C3O)cc2o1;;520.53;1.03;10625791;;;CHEMBL247486;CACO;ECACO;25;0;"from B to A, <a href=https://www.ebi.ac.uk/chembl/assay_report_card/CHEMBL885402/  target=_blank>CHEMBL885402</a>";;;;;;;;;-5.48;;;;;;;;;;;;"Yang XW, Guo QM, Wang Y, Xu W, Tian L, Tian XJ.: Intestinal permeability of antivirus constituents from the fruits of Eucalyptus globulus Labill. in Caco-2 Cell Model. Bioorg Med Chem Lett, Volume 17 (4), 2007";ChEMBL
MM475574;MM475574;Cc1cc(=O)c2c(O)cc(OC3OC(COC(=O)C4=CCC(C(C)(C)O)CC4)C(O)C(O)C3O)cc2o1;;520.53;1.03;10625791;;;CHEMBL247486;CACO;ECACO;25;0;"from B to A, <a href=https://www.ebi.ac.uk/chembl/assay_report_card/CHEMBL885403/  target=_blank>CHEMBL885403</a>";;;;;;;;;-5.57;;;;;;;;;;;;"Yang XW, Guo QM, Wang Y, Xu W, Tian L, Tian XJ.: Intestinal permeability of antivirus constituents from the fruits of Eucalyptus globulus Labill. in Caco-2 Cell Model. Bioorg Med Chem Lett, Volume 17 (4), 2007";ChEMBL
MM475574;MM475574;Cc1cc(=O)c2c(O)cc(OC3OC(COC(=O)C4=CCC(C(C)(C)O)CC4)C(O)C(O)C3O)cc2o1;;520.53;1.03;10625791;;;CHEMBL247486;CACO;ECACO;25;0;"from B to A, <a href=https://www.ebi.ac.uk/chembl/assay_report_card/CHEMBL885408/  target=_blank>CHEMBL885408</a>";;;;;;;;;-5.61;;;;;;;;;;;;"Yang XW, Guo QM, Wang Y, Xu W, Tian L, Tian XJ.: Intestinal permeability of antivirus constituents from the fruits of Eucalyptus globulus Labill. in Caco-2 Cell Model. Bioorg Med Chem Lett, Volume 17 (4), 2007";ChEMBL
MM475621;MM475621;Cc1ccc(C(F)(F)CNc2ccc(C#N)c(CC(=O)NCCON=C(N)N)c2F)nc1;;449.44;1.68;44448299;;;CHEMBL254784;CACO;ECACO;25;0;"from B to A, <a href=https://www.ebi.ac.uk/chembl/assay_report_card/CHEMBL934698/  target=_blank>CHEMBL934698</a>";;;;;;;;;-5.68;;;;;;;;;;;;"Kreutter KD, Lu T, Lee L, Giardino EC, Patel S, Huang H, Xu G, Fitzgerald M, Haertlein BJ, Mohan V, Crysler C, Eisennagel S, Dasgupta M, McMillan M, Spurlino JC, Huebert ND, Maryanoff BE, Tomczuk BE, Damiano BP, Player MR.: Orally efficacious thrombin inhibitors with cyanofluorophenylacetamide as the P2 motif. Bioorg Med Chem Lett, Volume 18 (9), 2008";ChEMBL
MM475632;MM475632;Cc1cc[n+]([O-])c(C)c1C(=O)N1CCC(C)(N2CCC(N(c3ccccc3)c3cccnc3)CC2)CC1;;499.66;4.63;;;;CHEMBL255858;CACO;ECACO;25;+1,-1;"from B to A, <a href=https://www.ebi.ac.uk/chembl/assay_report_card/CHEMBL928579/  target=_blank>CHEMBL928579</a>";;;;;;;;;-4.97;;;;;;;;;;;;"Thoma G, Beerli C, Bigaud M, Bruns C, Cooke NG, Streiff MB, Zerwes HG.: Reduced cardiac side-effect potential by introduction of polar groups: discovery of NIBR-1282, an orally bioavailable CCR5 antagonist which is active in vivo. Bioorg Med Chem Lett, Volume 18 (6), 2008";ChEMBL
MM475647;MM475647;N#Cc1ccc(NCC(F)(F)c2ccccn2)c(F)c1CC(=O)NCCON=C(N)N;;435.41;1.37;9867609;;;CHEMBL257543;CACO;ECACO;25;0;"from B to A, <a href=https://www.ebi.ac.uk/chembl/assay_report_card/CHEMBL934698/  target=_blank>CHEMBL934698</a>";;;;;;;;;-5.07;;;;;;;;;;;;"Kreutter KD, Lu T, Lee L, Giardino EC, Patel S, Huang H, Xu G, Fitzgerald M, Haertlein BJ, Mohan V, Crysler C, Eisennagel S, Dasgupta M, McMillan M, Spurlino JC, Huebert ND, Maryanoff BE, Tomczuk BE, Damiano BP, Player MR.: Orally efficacious thrombin inhibitors with cyanofluorophenylacetamide as the P2 motif. Bioorg Med Chem Lett, Volume 18 (9), 2008";ChEMBL
MM475653;MM475653;Cc1nc(N)ccc1CNC(=O)Cc1c(C#N)ccc(NCC(F)(F)c2ccccn2)c1F;;454.46;3.44;11236372;;;CHEMBL258018;CACO;ECACO;25;0;"from B to A, <a href=https://www.ebi.ac.uk/chembl/assay_report_card/CHEMBL934698/  target=_blank>CHEMBL934698</a>";;;;;;;;;-4.89;;;;;;;;;;;;"Kreutter KD, Lu T, Lee L, Giardino EC, Patel S, Huang H, Xu G, Fitzgerald M, Haertlein BJ, Mohan V, Crysler C, Eisennagel S, Dasgupta M, McMillan M, Spurlino JC, Huebert ND, Maryanoff BE, Tomczuk BE, Damiano BP, Player MR.: Orally efficacious thrombin inhibitors with cyanofluorophenylacetamide as the P2 motif. Bioorg Med Chem Lett, Volume 18 (9), 2008";ChEMBL
MM475655;MM475655;N#Cc1ccc(NCC(F)(F)c2cccc(F)c2)c(F)c1CC(=O)NCCON=C(N)N;;452.41;2.11;11328459;;;CHEMBL258198;CACO;ECACO;25;0;"from B to A, <a href=https://www.ebi.ac.uk/chembl/assay_report_card/CHEMBL934698/  target=_blank>CHEMBL934698</a>";;;;;;;;;-5.33;;;;;;;;;;;;"Kreutter KD, Lu T, Lee L, Giardino EC, Patel S, Huang H, Xu G, Fitzgerald M, Haertlein BJ, Mohan V, Crysler C, Eisennagel S, Dasgupta M, McMillan M, Spurlino JC, Huebert ND, Maryanoff BE, Tomczuk BE, Damiano BP, Player MR.: Orally efficacious thrombin inhibitors with cyanofluorophenylacetamide as the P2 motif. Bioorg Med Chem Lett, Volume 18 (9), 2008";ChEMBL
MM475657;MM475657;CN(OCCNC(=O)Cc1c(C#N)ccc(NCC(F)(F)c2ccccn2)c1F)C(=N)N;;449.44;1.71;11751278;;;CHEMBL258225;CACO;ECACO;25;0;"from B to A, <a href=https://www.ebi.ac.uk/chembl/assay_report_card/CHEMBL934698/  target=_blank>CHEMBL934698</a>";;;;;;;;;-6.52;;;;;;;;;;;;"Kreutter KD, Lu T, Lee L, Giardino EC, Patel S, Huang H, Xu G, Fitzgerald M, Haertlein BJ, Mohan V, Crysler C, Eisennagel S, Dasgupta M, McMillan M, Spurlino JC, Huebert ND, Maryanoff BE, Tomczuk BE, Damiano BP, Player MR.: Orally efficacious thrombin inhibitors with cyanofluorophenylacetamide as the P2 motif. Bioorg Med Chem Lett, Volume 18 (9), 2008";ChEMBL
MM475661;MM475661;COc1cc2c(cc1OC)CN(Cc1ccc3ccccc3c1)CC2;;333.43;4.42;2838648;;;CHEMBL259094;CACO;ECACO;25;0;"from B to A, <a href=https://www.ebi.ac.uk/chembl/assay_report_card/CHEMBL923494/  target=_blank>CHEMBL923494</a>";;;;;;;;;-3.75;;;;;;;;;;;;"Colabufo NA, Berardi F, Cantore M, Perrone MG, Contino M, Inglese C, Niso M, Perrone R, Azzariti A, Simone GM, Paradiso A.: 4-Biphenyl and 2-naphthyl substituted 6,7-dimethoxytetrahydroisoquinoline derivatives as potent P-gp modulators. Bioorg Med Chem, Volume 16 (7), 2008";ChEMBL
MM475662;MM475662;COc1cc2c(cc1OC)CN(Cc1ccc3cc(O)ccc3c1)CC2;;349.43;4.12;44451766;;;CHEMBL259095;CACO;ECACO;25;0;"from B to A, <a href=https://www.ebi.ac.uk/chembl/assay_report_card/CHEMBL923494/  target=_blank>CHEMBL923494</a>";;;;;;;;;-3.63;;;;;;;;;;;;"Colabufo NA, Berardi F, Cantore M, Perrone MG, Contino M, Inglese C, Niso M, Perrone R, Azzariti A, Simone GM, Paradiso A.: 4-Biphenyl and 2-naphthyl substituted 6,7-dimethoxytetrahydroisoquinoline derivatives as potent P-gp modulators. Bioorg Med Chem, Volume 16 (7), 2008";ChEMBL
MM18934;MM18934;COc1cc2c(cc1OC)CN(CCCC1CCCc3cc(OC)c(OC)cc31)CC2;ILEQWDOJJVJXBN-UHFFFAOYSA-N;425.57;4.98;24945196;;;CHEMBL259366;CACO;ECACO;25;0;"from B to A, <a href=https://www.ebi.ac.uk/chembl/assay_report_card/CHEMBL921231/  target=_blank>CHEMBL921231</a>";;;;;;;;;-3.36;;;;;;;;;;;;"Colabufo NA, Berardi F, Cantore M, Perrone MG, Contino M, Inglese C, Niso M, Perrone R, Azzariti A, Simone GM, Porcelli L, Paradiso A.: Small P-gp modulating molecules: SAR studies on tetrahydroisoquinoline derivatives. Bioorg Med Chem, Volume 16 (1), 2008";ChEMBL
MM19075;MM19075;COc1ccc2c(c1)CCCC2CCCN1CCc2cc(OC)c(OC)cc2C1;HJBMLYTXOFQZDS-UHFFFAOYSA-N;395.54;4.97;24945194;;;CHEMBL259367;CACO;ECACO;25;0;"from B to A, <a href=https://www.ebi.ac.uk/chembl/assay_report_card/CHEMBL921231/  target=_blank>CHEMBL921231</a>";;;;;;;;;-3.45;;;;;;;;;;;;"Colabufo NA, Berardi F, Cantore M, Perrone MG, Contino M, Inglese C, Niso M, Perrone R, Azzariti A, Simone GM, Porcelli L, Paradiso A.: Small P-gp modulating molecules: SAR studies on tetrahydroisoquinoline derivatives. Bioorg Med Chem, Volume 16 (1), 2008";ChEMBL
MM475665;MM475665;COc1cc2c(cc1OC)CN(Cc1cccc(-c3ccccc3)c1)CC2;;359.47;4.93;44451886;;;CHEMBL259370;CACO;ECACO;25;0;"from B to A, <a href=https://www.ebi.ac.uk/chembl/assay_report_card/CHEMBL923494/  target=_blank>CHEMBL923494</a>";;;;;;;;;-3.44;;;;;;;;;;;;"Colabufo NA, Berardi F, Cantore M, Perrone MG, Contino M, Inglese C, Niso M, Perrone R, Azzariti A, Simone GM, Paradiso A.: 4-Biphenyl and 2-naphthyl substituted 6,7-dimethoxytetrahydroisoquinoline derivatives as potent P-gp modulators. Bioorg Med Chem, Volume 16 (7), 2008";ChEMBL
MM18933;MM18933;COc1cc2c(cc1OC)CN(CCCC1CCCc3c(OC)cccc31)CC2;HHPVCRYYLOFYGE-UHFFFAOYSA-N;395.54;4.97;44451264;;;CHEMBL259582;CACO;ECACO;25;0;"from B to A, <a href=https://www.ebi.ac.uk/chembl/assay_report_card/CHEMBL921231/  target=_blank>CHEMBL921231</a>";;;;;;;;;-3.98;;;;;;;;;;;;"Colabufo NA, Berardi F, Cantore M, Perrone MG, Contino M, Inglese C, Niso M, Perrone R, Azzariti A, Simone GM, Porcelli L, Paradiso A.: Small P-gp modulating molecules: SAR studies on tetrahydroisoquinoline derivatives. Bioorg Med Chem, Volume 16 (1), 2008";ChEMBL
MM475667;MM475667;COc1cc2c(cc1OC)CN(Cc1ccccc1-c1ccccc1)CC2;;359.47;4.93;44451887;;;CHEMBL259791;CACO;ECACO;25;0;"from B to A, <a href=https://www.ebi.ac.uk/chembl/assay_report_card/CHEMBL923494/  target=_blank>CHEMBL923494</a>";;;;;;;;;-3.73;;;;;;;;;;;;"Colabufo NA, Berardi F, Cantore M, Perrone MG, Contino M, Inglese C, Niso M, Perrone R, Azzariti A, Simone GM, Paradiso A.: 4-Biphenyl and 2-naphthyl substituted 6,7-dimethoxytetrahydroisoquinoline derivatives as potent P-gp modulators. Bioorg Med Chem, Volume 16 (7), 2008";ChEMBL
MM475669;MM475669;COc1cc2c(cc1OC)CN(C(=O)c1ccc3ccccc3c1)CC2;;347.41;4.06;7924764;;;CHEMBL259949;CACO;ECACO;25;0;"from B to A, <a href=https://www.ebi.ac.uk/chembl/assay_report_card/CHEMBL923494/  target=_blank>CHEMBL923494</a>";;;;;;;;;-3.38;;;;;;;;;;;;"Colabufo NA, Berardi F, Cantore M, Perrone MG, Contino M, Inglese C, Niso M, Perrone R, Azzariti A, Simone GM, Paradiso A.: 4-Biphenyl and 2-naphthyl substituted 6,7-dimethoxytetrahydroisoquinoline derivatives as potent P-gp modulators. Bioorg Med Chem, Volume 16 (7), 2008";ChEMBL
MM475045;MM475045;COc1cc(Cl)ccc1O[C@@H](c1ccccc1)[C@@H]1CNCCO1;;333.82;3.46;;;;CHEMBL260259;CACO;ECACO;25;0;"from B to A, <a href=https://www.ebi.ac.uk/chembl/assay_report_card/CHEMBL932530/  target=_blank>CHEMBL932530</a>";;;;;;;;;-4.8;;;;;;;;;;;;"Fish PV, Deur C, Gan X, Greene K, Hoople D, Mackenny M, Para KS, Reeves K, Ryckmans T, Stiff C, Stobie A, Wakenhut F, Whitlock GA.: Design and synthesis of morpholine derivatives. SAR for dual serotonin & noradrenaline reuptake inhibition. Bioorg Med Chem Lett, Volume 18 (8), 2008";ChEMBL
MM475670;MM475670;COc1ccc2cc(C(=O)N3CCc4cc(OC)c(OC)cc4C3)ccc2c1;;377.44;4.06;28232208;;;CHEMBL260321;CACO;ECACO;25;0;"from B to A, <a href=https://www.ebi.ac.uk/chembl/assay_report_card/CHEMBL923494/  target=_blank>CHEMBL923494</a>";;;;;;;;;-3.91;;;;;;;;;;;;"Colabufo NA, Berardi F, Cantore M, Perrone MG, Contino M, Inglese C, Niso M, Perrone R, Azzariti A, Simone GM, Paradiso A.: 4-Biphenyl and 2-naphthyl substituted 6,7-dimethoxytetrahydroisoquinoline derivatives as potent P-gp modulators. Bioorg Med Chem, Volume 16 (7), 2008";ChEMBL
MM475671;MM475671;COc1cc2c(cc1OC)CN(C(=O)c1ccc3cc(O)ccc3c1)CC2;;363.41;3.76;44451797;;;CHEMBL260323;CACO;ECACO;25;0;"from B to A, <a href=https://www.ebi.ac.uk/chembl/assay_report_card/CHEMBL923494/  target=_blank>CHEMBL923494</a>";;;;;;;;;-3.72;;;;;;;;;;;;"Colabufo NA, Berardi F, Cantore M, Perrone MG, Contino M, Inglese C, Niso M, Perrone R, Azzariti A, Simone GM, Paradiso A.: 4-Biphenyl and 2-naphthyl substituted 6,7-dimethoxytetrahydroisoquinoline derivatives as potent P-gp modulators. Bioorg Med Chem, Volume 16 (7), 2008";ChEMBL
MM19074;MM19074;COc1ccc2c(c1)CCC=C2CCCN1CCc2cc(OC)c(OC)cc2C1;CIZNGVIPVFMLRQ-UHFFFAOYSA-N;393.53;4.88;24945109;;;CHEMBL260377;CACO;ECACO;25;0;"from B to A, <a href=https://www.ebi.ac.uk/chembl/assay_report_card/CHEMBL921231/  target=_blank>CHEMBL921231</a>";;;;;;;;;-3.82;;;;;;;;;;;;"Colabufo NA, Berardi F, Cantore M, Perrone MG, Contino M, Inglese C, Niso M, Perrone R, Azzariti A, Simone GM, Porcelli L, Paradiso A.: Small P-gp modulating molecules: SAR studies on tetrahydroisoquinoline derivatives. Bioorg Med Chem, Volume 16 (1), 2008";ChEMBL
MM19071;MM19071;COc1ccc2c(c1)C(CCCN1CCc3cc(OC)c(OC)cc3C1)=CCC2;NLSOIGZWHUMJEN-UHFFFAOYSA-N;393.53;4.88;24945108;;;CHEMBL260499;CACO;ECACO;25;0;"from B to A, <a href=https://www.ebi.ac.uk/chembl/assay_report_card/CHEMBL921231/  target=_blank>CHEMBL921231</a>";;;;;;;;;-3.48;;;;;;;;;;;;"Colabufo NA, Berardi F, Cantore M, Perrone MG, Contino M, Inglese C, Niso M, Perrone R, Azzariti A, Simone GM, Porcelli L, Paradiso A.: Small P-gp modulating molecules: SAR studies on tetrahydroisoquinoline derivatives. Bioorg Med Chem, Volume 16 (1), 2008";ChEMBL
MM475672;MM475672;COc1cc2c(cc1OC)CN(Cc1ccc(-c3ccc(O)cc3)cc1)CC2;;375.47;4.63;25113688;;;CHEMBL260505;CACO;ECACO;25;0;"from B to A, <a href=https://www.ebi.ac.uk/chembl/assay_report_card/CHEMBL923494/  target=_blank>CHEMBL923494</a>";;;;;;;;;-4.22;;;;;;;;;;;;"Colabufo NA, Berardi F, Cantore M, Perrone MG, Contino M, Inglese C, Niso M, Perrone R, Azzariti A, Simone GM, Paradiso A.: 4-Biphenyl and 2-naphthyl substituted 6,7-dimethoxytetrahydroisoquinoline derivatives as potent P-gp modulators. Bioorg Med Chem, Volume 16 (7), 2008";ChEMBL
MM475673;MM475673;COc1cc2c(cc1OC)CN(C(=O)c1ccc(-c3ccc(O)cc3)cc1)CC2;;389.45;4.27;44451909;;;CHEMBL260508;CACO;ECACO;25;0;"from B to A, <a href=https://www.ebi.ac.uk/chembl/assay_report_card/CHEMBL923494/  target=_blank>CHEMBL923494</a>";;;;;;;;;-3.56;;;;;;;;;;;;"Colabufo NA, Berardi F, Cantore M, Perrone MG, Contino M, Inglese C, Niso M, Perrone R, Azzariti A, Simone GM, Paradiso A.: 4-Biphenyl and 2-naphthyl substituted 6,7-dimethoxytetrahydroisoquinoline derivatives as potent P-gp modulators. Bioorg Med Chem, Volume 16 (7), 2008";ChEMBL
MM475674;MM475674;"COc1cc2c(cc1OC)CN(CC/C=C1\CCCc3c(OC)cccc31)CC2";QBMVDXXIQASRIE-QGMBQPNBSA-N;393.53;4.88;;;;;CACO;ECACO;25;0;"from B to A, <a href=https://www.ebi.ac.uk/chembl/assay_report_card/CHEMBL921231/  target=_blank>CHEMBL921231</a>";;;;;;;;;-4.41;;;;;;;;;;;;"Colabufo NA, Berardi F, Cantore M, Perrone MG, Contino M, Inglese C, Niso M, Perrone R, Azzariti A, Simone GM, Porcelli L, Paradiso A.: Small P-gp modulating molecules: SAR studies on tetrahydroisoquinoline derivatives. Bioorg Med Chem, Volume 16 (1), 2008";ChEMBL
MM475674;MM475674;"COc1cc2c(cc1OC)CN(CC/C=C1\CCCc3c(OC)cccc31)CC2";QBMVDXXIQASRIE-QGMBQPNBSA-N;393.53;4.88;;;;;CACO;ECACO;25;0;"from B to A, <a href=https://www.ebi.ac.uk/chembl/assay_report_card/CHEMBL923494/  target=_blank>CHEMBL923494</a>";;;;;;;;;-4.41;;;;;;;;;;;;"Colabufo NA, Berardi F, Cantore M, Perrone MG, Contino M, Inglese C, Niso M, Perrone R, Azzariti A, Simone GM, Paradiso A.: 4-Biphenyl and 2-naphthyl substituted 6,7-dimethoxytetrahydroisoquinoline derivatives as potent P-gp modulators. Bioorg Med Chem, Volume 16 (7), 2008";ChEMBL
MM18932;MM18932;COc1cc2c(cc1OC)CN(CCCC1=CCCc3cc(OC)c(OC)cc31)CC2;BVIGBAHRVHMUBL-UHFFFAOYSA-N;423.55;4.89;24945110;;;CHEMBL261802;CACO;ECACO;25;0;"from B to A, <a href=https://www.ebi.ac.uk/chembl/assay_report_card/CHEMBL921231/  target=_blank>CHEMBL921231</a>";;;;;;;;;-3.99;;;;;;;;;;;;"Colabufo NA, Berardi F, Cantore M, Perrone MG, Contino M, Inglese C, Niso M, Perrone R, Azzariti A, Simone GM, Porcelli L, Paradiso A.: Small P-gp modulating molecules: SAR studies on tetrahydroisoquinoline derivatives. Bioorg Med Chem, Volume 16 (1), 2008";ChEMBL
MM475683;MM475683;"COc1cccc2c1CCC/C2=C\CCN1CCCCC1";OQZQEGAAANHHRE-CXUHLZMHSA-N;285.43;4.29;;;;;CACO;ECACO;25;0;"from B to A, <a href=https://www.ebi.ac.uk/chembl/assay_report_card/CHEMBL921231/  target=_blank>CHEMBL921231</a>";;;;;;;;;-3.59;;;;;;;;;;;;"Colabufo NA, Berardi F, Cantore M, Perrone MG, Contino M, Inglese C, Niso M, Perrone R, Azzariti A, Simone GM, Porcelli L, Paradiso A.: Small P-gp modulating molecules: SAR studies on tetrahydroisoquinoline derivatives. Bioorg Med Chem, Volume 16 (1), 2008";ChEMBL
Propranolol;MM00085;CC(C)NCC(O)COc1cccc2ccccc12;AQHHHDLHHXJYJD-UHFFFAOYSA-N;259.35;2.58;4946;DB00571;;CHEMBL27;CACO;ECACO;25;0;"from B to A, <a href=https://www.ebi.ac.uk/chembl/assay_report_card/CHEMBL1108562/  target=_blank>CHEMBL1108562</a>";;;;;;;;;-4.31;;;;;;;;;;;;"Burns CJ, Bourke DG, Andrau L, Bu X, Charman SA, Donohue AC, Fantino E, Farrugia M, Feutrill JT, Joffe M, Kling MR, Kurek M, Nero TL, Nguyen T, Palmer JT, Phillips I, Shackleford DM, Sikanyika H, Styles M, Su S, Treutlein H, Zeng J, Wilks AF.: Phenylaminopyrimidines as inhibitors of Janus kinases (JAKs). Bioorg Med Chem Lett, Volume 19 (20), 2009";ChEMBL
Propranolol;MM00085;CC(C)NCC(O)COc1cccc2ccccc12;AQHHHDLHHXJYJD-UHFFFAOYSA-N;259.35;2.58;4946;DB00571;;CHEMBL27;CACO;ECACO;25;0;"from B to A, <a href=https://www.ebi.ac.uk/chembl/assay_report_card/CHEMBL1050862/  target=_blank>CHEMBL1050862</a>";;;;;;;;;-4.76;;;;;;;;;;;;"Rai G, Sayed AA, Lea WA, Luecke HF, Chakrapani H, Prast-Nielsen S, Jadhav A, Leister W, Shen M, Inglese J, Austin CP, Keefer L, Arnér ES, Simeonov A, Maloney DJ, Williams DL, Thomas CJ.: Structure mechanism insights and the role of nitric oxide donation guide the development of oxadiazole-2-oxides as therapeutic agents against schistosomiasis. J Med Chem, Volume 52 (20), 2009";ChEMBL
Propranolol;MM00085;CC(C)NCC(O)COc1cccc2ccccc12;AQHHHDLHHXJYJD-UHFFFAOYSA-N;259.35;2.58;4946;DB00571;;CHEMBL27;CACO;ECACO;25;0;"from B to A, <a href=https://www.ebi.ac.uk/chembl/assay_report_card/CHEMBL967839/  target=_blank>CHEMBL967839</a>";;;;;;;;;-4.08;;;;;;;;;;;;"Van Voorhis WC, Rivas KL, Bendale P, Nallan L, Hornéy C, Barrett LK, Bauer KD, Smart BP, Ankala S, Hucke O, Verlinde CL, Chakrabarti D, Strickland C, Yokoyama K, Buckner FS, Hamilton AD, Williams DK, Lombardo LJ, Floyd D, Gelb MH.: Efficacy, pharmacokinetics, and metabolism of tetrahydroquinoline inhibitors of Plasmodium falciparum protein farnesyltransferase. Antimicrob Agents Chemother, Volume 51 (10), 2007";ChEMBL
MM475051;MM475051;CNCc1cnc(C)cc1Oc1ccccc1Oc1ccccc1;;320.39;4.69;25022704;;;CHEMBL273208;CACO;ECACO;25;0;"from B to A, <a href=https://www.ebi.ac.uk/chembl/assay_report_card/CHEMBL933949/  target=_blank>CHEMBL933949</a>";;;;;;;;;-4.72;;;;;;;;;;;;"Fish PV, Ryckmans T, Stobie A, Wakenhut F.: [4-(Phenoxy)pyridin-3-yl]methylamines: a new class of selective noradrenaline reuptake inhibitors. Bioorg Med Chem Lett, Volume 18 (6), 2008";ChEMBL
Cimetidine;MM00463;CN=C(NC#N)NCCSCc1nc[nH]c1C;AQIXAKUUQRKLND-UHFFFAOYSA-N;252.35;0.6;2756;DB00501;;CHEMBL30;CACO;ECACO;25;0;"from B to A, <a href=https://www.ebi.ac.uk/chembl/assay_report_card/CHEMBL1016135/  target=_blank>CHEMBL1016135</a>";;;;;;;;;-5.82;;;;;;;;;;;;"Ettari R, Micale N, Schirmeister T, Gelhaus C, Leippe M, Nizi E, Di Francesco ME, Grasso S, Zappalà M.: Novel peptidomimetics containing a vinyl ester moiety as highly potent and selective falcipain-2 inhibitors. J Med Chem, Volume 52 (7), 2009";ChEMBL
MM475729;MM475729;Cc1nc(C(C)C)n(C2CC3CCC(C2)N3CCC(NC(=O)C2CCC(F)(F)CC2)c2ccccc2)n1;;513.68;5.95;49768863;;;CHEMBL1649912;CACO;ECACO;25;0;"from B to A, <a href=https://www.ebi.ac.uk/chembl/assay_report_card/CHEMBL1019467/  target=_blank>CHEMBL1019467</a>";;;;;;;;;-4.59;;;;;;;;;;;;"Barber CG, Blakemore DC, Chiva JY, Eastwood RL, Middleton DS, Paradowski KA.: 1-Amido-1-phenyl-3-piperidinylbutanes--CCR5 antagonists for the treatment of HIV: part 2. Bioorg Med Chem Lett, Volume 19 (5), 2009";ChEMBL
MM475789;MM475789;CC(=O)NC(Cc1ccc(O)cc1)C(=O)NC(C)C(=O)NCC(=O)NC(Cc1ccccc1)C(=O)NC(CC(C)C)C(N)=O;;610.71;-0.2;11527329;;;CHEMBL370813;CACO;ECACO;25;0;"from B to A, <a href=https://www.ebi.ac.uk/chembl/assay_report_card/CHEMBL864081/  target=_blank>CHEMBL864081</a>";;;;;;;;;-6.96;;;;;;;;;;;;"Liederer BM, Fuchs T, Vander Velde D, Siahaan TJ, Borchardt RT.: Effects of amino acid chirality and the chemical linker on the cell permeation characteristics of cyclic prodrugs of opioid peptides. J Med Chem, Volume 49 (4), 2006";ChEMBL
MM475789;MM475789;CC(=O)NC(Cc1ccc(O)cc1)C(=O)NC(C)C(=O)NCC(=O)NC(Cc1ccccc1)C(=O)NC(CC(C)C)C(N)=O;;610.71;-0.2;11527329;;;CHEMBL370813;CACO;ECACO;25;0;"from B to A, <a href=https://www.ebi.ac.uk/chembl/assay_report_card/CHEMBL864082/  target=_blank>CHEMBL864082</a>";;;;;;;;;-7.64;;;;;;;;;;;;"Liederer BM, Fuchs T, Vander Velde D, Siahaan TJ, Borchardt RT.: Effects of amino acid chirality and the chemical linker on the cell permeation characteristics of cyclic prodrugs of opioid peptides. J Med Chem, Volume 49 (4), 2006";ChEMBL
MM475789;MM475789;CC(=O)NC(Cc1ccc(O)cc1)C(=O)NC(C)C(=O)NCC(=O)NC(Cc1ccccc1)C(=O)NC(CC(C)C)C(N)=O;;610.71;-0.2;11527329;;;CHEMBL370813;CACO;ECACO;25;0;"from B to A, <a href=https://www.ebi.ac.uk/chembl/assay_report_card/CHEMBL865287/  target=_blank>CHEMBL865287</a>";;;;;;;;;-7.41;;;;;;;;;;;;"Liederer BM, Fuchs T, Vander Velde D, Siahaan TJ, Borchardt RT.: Effects of amino acid chirality and the chemical linker on the cell permeation characteristics of cyclic prodrugs of opioid peptides. J Med Chem, Volume 49 (4), 2006";ChEMBL
MM475790;MM475790;CC(C)CN(CC(O)C(Cc1ccccc1)NC(=O)OC1COC2OCCC12)S(=O)(=O)c1ccc2nc(NCCN(C)C)sc2c1;;675.87;3.38;509604;;;CHEMBL371045;CACO;ECACO;25;0;"from B to A, <a href=https://www.ebi.ac.uk/chembl/assay_report_card/CHEMBL836787/  target=_blank>CHEMBL836787</a>";;;;;;;;;-4.58;;;;;;;;;;;;"Surleraux DL, de Kock HA, Verschueren WG, Pille GM, Maes LJ, Peeters A, Vendeville S, De Meyer S, Azijn H, Pauwels R, de Bethune MP, King NM, Prabu-Jeyabalan M, Schiffer CA, Wigerinck PB.: Design of HIV-1 protease inhibitors active on multidrug-resistant virus. J Med Chem, Volume 48 (6), 2005";ChEMBL
MM475791;MM475791;NC(Cc1ccc(-c2ccc(F)cc2)cc1)C(=O)N1CCSC1;;330.43;2.9;23645389;;;CHEMBL371757;CACO;ECACO;25;0;"from B to A, <a href=https://www.ebi.ac.uk/chembl/assay_report_card/CHEMBL863904/  target=_blank>CHEMBL863904</a>";;;;;;;;;-5.25;;;;;;;;;;;;"Qiao L, Baumann CA, Crysler CS, Ninan NS, Abad MC, Spurlino JC, Desjarlais RL, Kervinen J, Neeper MP, Bayoumy SS, Williams R, Deckman IC, Dasgupta M, Reed RL, Huebert ND, Tomczuk BE, Moriarty KJ.: Discovery, SAR, and X-ray structure of novel biaryl-based dipeptidyl peptidase IV inhibitors. Bioorg Med Chem Lett, Volume 16 (1), 2006";ChEMBL
MM475795;MM475795;CCCC(=O)N1CCC(NS(=O)(=O)c2ccc(NC(=O)c3ccccc3C)c3ccccc23)CC1;;493.63;4.47;10391001;;;CHEMBL374939;CACO;ECACO;25;0;"from B to A, <a href=https://www.ebi.ac.uk/chembl/assay_report_card/CHEMBL855764/  target=_blank>CHEMBL855764</a>";;;;;;;;;-4.47;;;;;;;;;;;;"Jenkins TJ, Guan B, Dai M, Li G, Lightburn TE, Huang S, Freeze BS, Burdi DF, Jacutin-Porte S, Bennett R, Chen W, Minor C, Ghosh S, Blackburn C, Gigstad KM, Jones M, Kolbeck R, Yin W, Smith S, Cardillo D, Ocain TD, Harriman GC.: Design, synthesis, and evaluation of naphthalene-sulfonamide antagonists of human CCR8. J Med Chem, Volume 50 (3), 2007";ChEMBL
MM475809;MM475809;CC(C)c1nnc2ccc(-c3ocnc3-c3cc(F)ccc3F)cn12;;340.33;4.45;9949821;;;CHEMBL379866;CACO;ECACO;25;0;"from B to A, <a href=https://www.ebi.ac.uk/chembl/assay_report_card/CHEMBL869164/  target=_blank>CHEMBL869164</a>";;;;;;;;;-4.54;;;;;;;;;;;;"McClure KF, Letavic MA, Kalgutkar AS, Gabel CA, Audoly L, Barberia JT, Braganza JF, Carter D, Carty TJ, Cortina SR, Dombroski MA, Donahue KM, Elliott NC, Gibbons CP, Jordan CK, Kuperman AV, Labasi JM, Laliberte RE, McCoy JM, Naiman BM, Nelson KL, Nguyen HT, Peese KM, Sweeney FJ, Taylor TJ, Trebino CE, Abramov YA, Laird ER, Volberg WA, Zhou J, Bach J, Lombardo F.: Structure-activity relationships of triazolopyridine oxazole p38 inhibitors: identification of candidates for clinical development. Bioorg Med Chem Lett, Volume 16 (16), 2006";ChEMBL
MM475810;MM475810;c1ccc2c(-c3ccncc3)c[nH]c2c1;;194.24;3.23;644354;;;CHEMBL380071;CACO;ECACO;25;0;"from B to A, <a href=https://www.ebi.ac.uk/chembl/assay_report_card/CHEMBL870727/  target=_blank>CHEMBL870727</a>";;;;;;;;;-4.62;;;;;;;;;;;;"Beevers RE, Buckley GM, Davies N, Fraser JL, Galvin FC, Hannah DR, Haughan AF, Jenkins K, Mack SR, Pitt WR, Ratcliffe AJ, Richard MD, Sabin V, Sharpe A, Williams SC.: Novel indole inhibitors of IMPDH from fragments: synthesis and initial structure-activity relationships. Bioorg Med Chem Lett, Volume 16 (9), 2006";ChEMBL
MM475811;MM475811;O=S(=O)(Nc1ccc2c(-c3ccncc3)c[nH]c2c1)c1ccccc1;;349.42;4.03;44410735;;;CHEMBL380132;CACO;ECACO;25;0;"from B to A, <a href=https://www.ebi.ac.uk/chembl/assay_report_card/CHEMBL870727/  target=_blank>CHEMBL870727</a>";;;;;;;;;-5.03;;;;;;;;;;;;"Beevers RE, Buckley GM, Davies N, Fraser JL, Galvin FC, Hannah DR, Haughan AF, Jenkins K, Mack SR, Pitt WR, Ratcliffe AJ, Richard MD, Sabin V, Sharpe A, Williams SC.: Novel indole inhibitors of IMPDH from fragments: synthesis and initial structure-activity relationships. Bioorg Med Chem Lett, Volume 16 (9), 2006";ChEMBL
MM475812;MM475812;C#Cc1ccc2c(c1)C(=O)N(C(C)c1ccc(Cl)cc1)C(c1ccc(Cl)cc1)C(=O)N2CCCCC(=O)O;;549.45;6.52;11706629;;;CHEMBL380214;CACO;ECACO;25;0;"from B to A, <a href=https://www.ebi.ac.uk/chembl/assay_report_card/CHEMBL853095/  target=_blank>CHEMBL853095</a>";;;;;;;;;-4.79;;;;;;;;;;;;"Parks DJ, LaFrance LV, Calvo RR, Milkiewicz KL, Marugán JJ, Raboisson P, Schubert C, Koblish HK, Zhao S, Franks CF, Lattanze J, Carver TE, Cummings MD, Maguire D, Grasberger BL, Maroney AC, Lu T.: Enhanced pharmacokinetic properties of 1,4-benzodiazepine-2,5-dione antagonists of the HDM2-p53 protein-protein interaction through structure-based drug design. Bioorg Med Chem Lett, Volume 16 (12), 2006";ChEMBL
MM475816;MM475816;O=C(NOCc1ccccc1)Nc1ccc2c(-c3ccncc3)c[nH]c2c1;;358.4;4.48;11674857;;;CHEMBL380639;CACO;ECACO;25;0;"from B to A, <a href=https://www.ebi.ac.uk/chembl/assay_report_card/CHEMBL870727/  target=_blank>CHEMBL870727</a>";;;;;;;;;-5.14;;;;;;;;;;;;"Beevers RE, Buckley GM, Davies N, Fraser JL, Galvin FC, Hannah DR, Haughan AF, Jenkins K, Mack SR, Pitt WR, Ratcliffe AJ, Richard MD, Sabin V, Sharpe A, Williams SC.: Novel indole inhibitors of IMPDH from fragments: synthesis and initial structure-activity relationships. Bioorg Med Chem Lett, Volume 16 (9), 2006";ChEMBL
MM475817;MM475817;CC(=O)N[C@@H](Cc1ccc(O)cc1)C(=O)N[C@H](C)C(=O)NCC(=O)N[C@@H](Cc1ccccc1)C(=O)N[C@@H](CC(C)C)C(N)=O;;610.71;-0.2;;;;CHEMBL380938;CACO;ECACO;25;0;"from B to A, <a href=https://www.ebi.ac.uk/chembl/assay_report_card/CHEMBL864081/  target=_blank>CHEMBL864081</a>";;;;;;;;;-7.14;;;;;;;;;;;;"Liederer BM, Fuchs T, Vander Velde D, Siahaan TJ, Borchardt RT.: Effects of amino acid chirality and the chemical linker on the cell permeation characteristics of cyclic prodrugs of opioid peptides. J Med Chem, Volume 49 (4), 2006";ChEMBL
MM475817;MM475817;CC(=O)N[C@@H](Cc1ccc(O)cc1)C(=O)N[C@H](C)C(=O)NCC(=O)N[C@@H](Cc1ccccc1)C(=O)N[C@@H](CC(C)C)C(N)=O;;610.71;-0.2;;;;CHEMBL380938;CACO;ECACO;25;0;"from B to A, <a href=https://www.ebi.ac.uk/chembl/assay_report_card/CHEMBL864082/  target=_blank>CHEMBL864082</a>";;;;;;;;;-6.57;;;;;;;;;;;;"Liederer BM, Fuchs T, Vander Velde D, Siahaan TJ, Borchardt RT.: Effects of amino acid chirality and the chemical linker on the cell permeation characteristics of cyclic prodrugs of opioid peptides. J Med Chem, Volume 49 (4), 2006";ChEMBL
MM475817;MM475817;CC(=O)N[C@@H](Cc1ccc(O)cc1)C(=O)N[C@H](C)C(=O)NCC(=O)N[C@@H](Cc1ccccc1)C(=O)N[C@@H](CC(C)C)C(N)=O;;610.71;-0.2;;;;CHEMBL380938;CACO;ECACO;25;0;"from B to A, <a href=https://www.ebi.ac.uk/chembl/assay_report_card/CHEMBL865287/  target=_blank>CHEMBL865287</a>";;;;;;;;;-7.24;;;;;;;;;;;;"Liederer BM, Fuchs T, Vander Velde D, Siahaan TJ, Borchardt RT.: Effects of amino acid chirality and the chemical linker on the cell permeation characteristics of cyclic prodrugs of opioid peptides. J Med Chem, Volume 49 (4), 2006";ChEMBL
MM475821;MM475821;"CC(C)C[C@H]1NC(=O)[C@H](Cc2ccccc2)NC(=O)CNC(=O)[C@H](C)NC(=O)[C@H](Cc2ccc(O)cc2)NC(=O)/C=C\c2ccccc2OCOC1=O";CQTYKIZQGJDXFK-ADEWZYKOSA-N;727.82;1.91;;;;;CACO;ECACO;25;0;"from B to A, <a href=https://www.ebi.ac.uk/chembl/assay_report_card/CHEMBL864081/  target=_blank>CHEMBL864081</a>";;;;;;;;;-5.52;;;;;;;;;;;;"Liederer BM, Fuchs T, Vander Velde D, Siahaan TJ, Borchardt RT.: Effects of amino acid chirality and the chemical linker on the cell permeation characteristics of cyclic prodrugs of opioid peptides. J Med Chem, Volume 49 (4), 2006";ChEMBL
MM475821;MM475821;"CC(C)C[C@H]1NC(=O)[C@H](Cc2ccccc2)NC(=O)CNC(=O)[C@H](C)NC(=O)[C@H](Cc2ccc(O)cc2)NC(=O)/C=C\c2ccccc2OCOC1=O";CQTYKIZQGJDXFK-ADEWZYKOSA-N;727.82;1.91;;;;;CACO;ECACO;25;0;"from B to A, <a href=https://www.ebi.ac.uk/chembl/assay_report_card/CHEMBL864082/  target=_blank>CHEMBL864082</a>";;;;;;;;;-6.07;;;;;;;;;;;;"Liederer BM, Fuchs T, Vander Velde D, Siahaan TJ, Borchardt RT.: Effects of amino acid chirality and the chemical linker on the cell permeation characteristics of cyclic prodrugs of opioid peptides. J Med Chem, Volume 49 (4), 2006";ChEMBL
MM475821;MM475821;"CC(C)C[C@H]1NC(=O)[C@H](Cc2ccccc2)NC(=O)CNC(=O)[C@H](C)NC(=O)[C@H](Cc2ccc(O)cc2)NC(=O)/C=C\c2ccccc2OCOC1=O";CQTYKIZQGJDXFK-ADEWZYKOSA-N;727.82;1.91;;;;;CACO;ECACO;25;0;"from B to A, <a href=https://www.ebi.ac.uk/chembl/assay_report_card/CHEMBL865286/  target=_blank>CHEMBL865286</a>";;;;;;;;;-6.15;;;;;;;;;;;;"Liederer BM, Fuchs T, Vander Velde D, Siahaan TJ, Borchardt RT.: Effects of amino acid chirality and the chemical linker on the cell permeation characteristics of cyclic prodrugs of opioid peptides. J Med Chem, Volume 49 (4), 2006";ChEMBL
MM475821;MM475821;"CC(C)C[C@H]1NC(=O)[C@H](Cc2ccccc2)NC(=O)CNC(=O)[C@H](C)NC(=O)[C@H](Cc2ccc(O)cc2)NC(=O)/C=C\c2ccccc2OCOC1=O";CQTYKIZQGJDXFK-ADEWZYKOSA-N;727.82;1.91;;;;;CACO;ECACO;25;0;"from B to A, <a href=https://www.ebi.ac.uk/chembl/assay_report_card/CHEMBL865287/  target=_blank>CHEMBL865287</a>";;;;;;;;;-5.87;;;;;;;;;;;;"Liederer BM, Fuchs T, Vander Velde D, Siahaan TJ, Borchardt RT.: Effects of amino acid chirality and the chemical linker on the cell permeation characteristics of cyclic prodrugs of opioid peptides. J Med Chem, Volume 49 (4), 2006";ChEMBL
MM475823;MM475823;CC(C)CN(CC(O)C(Cc1ccccc1)NC(=O)OC1COC2OCCC12)S(=O)(=O)c1ccc2nc(N(C)CCCN(C)C)sc2c1;;703.93;3.79;509668;;;CHEMBL382110;CACO;ECACO;25;0;"from B to A, <a href=https://www.ebi.ac.uk/chembl/assay_report_card/CHEMBL836787/  target=_blank>CHEMBL836787</a>";;;;;;;;;-5.07;;;;;;;;;;;;"Surleraux DL, de Kock HA, Verschueren WG, Pille GM, Maes LJ, Peeters A, Vendeville S, De Meyer S, Azijn H, Pauwels R, de Bethune MP, King NM, Prabu-Jeyabalan M, Schiffer CA, Wigerinck PB.: Design of HIV-1 protease inhibitors active on multidrug-resistant virus. J Med Chem, Volume 48 (6), 2005";ChEMBL
MM475826;MM475826;"CC(C)C[C@H]1NC(=O)[C@H](Cc2ccccc2)NC(=O)CNC(=O)[C@@H](C)NC(=O)[C@H](Cc2ccc(O)cc2)NC(=O)/C=C\c2ccccc2OCOC1=O";CQTYKIZQGJDXFK-SDPVFGLVSA-N;727.82;1.91;;;;;CACO;ECACO;25;0;"from B to A, <a href=https://www.ebi.ac.uk/chembl/assay_report_card/CHEMBL864081/  target=_blank>CHEMBL864081</a>";;;;;;;;;-5.39;;;;;;;;;;;;"Liederer BM, Fuchs T, Vander Velde D, Siahaan TJ, Borchardt RT.: Effects of amino acid chirality and the chemical linker on the cell permeation characteristics of cyclic prodrugs of opioid peptides. J Med Chem, Volume 49 (4), 2006";ChEMBL
MM475826;MM475826;"CC(C)C[C@H]1NC(=O)[C@H](Cc2ccccc2)NC(=O)CNC(=O)[C@@H](C)NC(=O)[C@H](Cc2ccc(O)cc2)NC(=O)/C=C\c2ccccc2OCOC1=O";CQTYKIZQGJDXFK-SDPVFGLVSA-N;727.82;1.91;;;;;CACO;ECACO;25;0;"from B to A, <a href=https://www.ebi.ac.uk/chembl/assay_report_card/CHEMBL864082/  target=_blank>CHEMBL864082</a>";;;;;;;;;-5.92;;;;;;;;;;;;"Liederer BM, Fuchs T, Vander Velde D, Siahaan TJ, Borchardt RT.: Effects of amino acid chirality and the chemical linker on the cell permeation characteristics of cyclic prodrugs of opioid peptides. J Med Chem, Volume 49 (4), 2006";ChEMBL
MM475826;MM475826;"CC(C)C[C@H]1NC(=O)[C@H](Cc2ccccc2)NC(=O)CNC(=O)[C@@H](C)NC(=O)[C@H](Cc2ccc(O)cc2)NC(=O)/C=C\c2ccccc2OCOC1=O";CQTYKIZQGJDXFK-SDPVFGLVSA-N;727.82;1.91;;;;;CACO;ECACO;25;0;"from B to A, <a href=https://www.ebi.ac.uk/chembl/assay_report_card/CHEMBL865286/  target=_blank>CHEMBL865286</a>";;;;;;;;;-5.48;;;;;;;;;;;;"Liederer BM, Fuchs T, Vander Velde D, Siahaan TJ, Borchardt RT.: Effects of amino acid chirality and the chemical linker on the cell permeation characteristics of cyclic prodrugs of opioid peptides. J Med Chem, Volume 49 (4), 2006";ChEMBL
MM475826;MM475826;"CC(C)C[C@H]1NC(=O)[C@H](Cc2ccccc2)NC(=O)CNC(=O)[C@@H](C)NC(=O)[C@H](Cc2ccc(O)cc2)NC(=O)/C=C\c2ccccc2OCOC1=O";CQTYKIZQGJDXFK-SDPVFGLVSA-N;727.82;1.91;;;;;CACO;ECACO;25;0;"from B to A, <a href=https://www.ebi.ac.uk/chembl/assay_report_card/CHEMBL865287/  target=_blank>CHEMBL865287</a>";;;;;;;;;-5.85;;;;;;;;;;;;"Liederer BM, Fuchs T, Vander Velde D, Siahaan TJ, Borchardt RT.: Effects of amino acid chirality and the chemical linker on the cell permeation characteristics of cyclic prodrugs of opioid peptides. J Med Chem, Volume 49 (4), 2006";ChEMBL
MM475829;MM475829;CC(c1ccc(Cl)cc1)N1C(=O)c2cc(I)ccc2N(CCCCC(=O)O)C(=O)C1c1ccc(C(F)(F)F)cc1;;684.88;7.51;11952816;;;CHEMBL383727;CACO;ECACO;25;0;"from B to A, <a href=https://www.ebi.ac.uk/chembl/assay_report_card/CHEMBL853095/  target=_blank>CHEMBL853095</a>";;;;;;;;;-5.02;;;;;;;;;;;;"Parks DJ, LaFrance LV, Calvo RR, Milkiewicz KL, Marugán JJ, Raboisson P, Schubert C, Koblish HK, Zhao S, Franks CF, Lattanze J, Carver TE, Cummings MD, Maguire D, Grasberger BL, Maroney AC, Lu T.: Enhanced pharmacokinetic properties of 1,4-benzodiazepine-2,5-dione antagonists of the HDM2-p53 protein-protein interaction through structure-based drug design. Bioorg Med Chem Lett, Volume 16 (12), 2006";ChEMBL
MM475836;MM475836;CC(C)c1nnc2ccc(-c3cnoc3-c3cc(F)ccc3F)cn12;;340.33;4.45;23647349;;;CHEMBL386033;CACO;ECACO;25;0;"from B to A, <a href=https://www.ebi.ac.uk/chembl/assay_report_card/CHEMBL869164/  target=_blank>CHEMBL869164</a>";;;;;;;;;-4.54;;;;;;;;;;;;"McClure KF, Letavic MA, Kalgutkar AS, Gabel CA, Audoly L, Barberia JT, Braganza JF, Carter D, Carty TJ, Cortina SR, Dombroski MA, Donahue KM, Elliott NC, Gibbons CP, Jordan CK, Kuperman AV, Labasi JM, Laliberte RE, McCoy JM, Naiman BM, Nelson KL, Nguyen HT, Peese KM, Sweeney FJ, Taylor TJ, Trebino CE, Abramov YA, Laird ER, Volberg WA, Zhou J, Bach J, Lombardo F.: Structure-activity relationships of triazolopyridine oxazole p38 inhibitors: identification of candidates for clinical development. Bioorg Med Chem Lett, Volume 16 (16), 2006";ChEMBL
MM472519;MM472519;c1ccc(Nc2ccccc2)cc1;DMBHHRLKUKUOEG-UHFFFAOYSA-N;169.23;3.43;;;;;CACO;ECACO;25;0;"from B to A, <a href=https://www.ebi.ac.uk/chembl/assay_report_card/CHEMBL905617/  target=_blank>CHEMBL905617</a>";;;;;;;;;-4.35;;;;;;;;;;;;"Fujikawa M, Nakao K, Shimizu R, Akamatsu M.: QSAR study on permeability of hydrophobic compounds with artificial membranes. Bioorg Med Chem, Volume 15 (11), 3756-3767, 2007";ChEMBL
MM472521;MM472521;CC(C)(C)N(NC(=O)c1ccccc1)C(=O)c1ccccc1;;296.37;3.27;;;;CHEMBL387744;CACO;ECACO;25;0;"from B to A, <a href=https://www.ebi.ac.uk/chembl/assay_report_card/CHEMBL905617/  target=_blank>CHEMBL905617</a>";;;;;;;;;-4.42;;;;;;;;;;;;"Fujikawa M, Nakao K, Shimizu R, Akamatsu M.: QSAR study on permeability of hydrophobic compounds with artificial membranes. Bioorg Med Chem, Volume 15 (11), 3756-3767, 2007";ChEMBL
MM475839;MM475839;NCCCCC(N)CC(=O)NC(CC(=O)O)Cc1ccccc1;;321.42;1.04;23630521;;;CHEMBL388214;CACO;ECACO;25;0;"from B to A, <a href=https://www.ebi.ac.uk/chembl/assay_report_card/CHEMBL896859/  target=_blank>CHEMBL896859</a>";;;;;;;;;-7.12;;;;;;;;;;;;"Hubatsch I, Arvidsson PI, Seebach D, Luthman K, Artursson P.: Beta- and gamma-di- and tripeptides as potential substrates for the oligopeptide transporter hPepT1. J Med Chem, Volume 50 (21), 2007";ChEMBL
MM472529;MM472529;CC(C)OP(=O)(OC(C)C)SCc1ccccc1;FCOAHACKGGIURQ-UHFFFAOYSA-N;288.35;4.88;;;;;CACO;ECACO;25;0;"from B to A, <a href=https://www.ebi.ac.uk/chembl/assay_report_card/CHEMBL905617/  target=_blank>CHEMBL905617</a>";;;;;;;;;-4.35;;;;;;;;;;;;"Fujikawa M, Nakao K, Shimizu R, Akamatsu M.: QSAR study on permeability of hydrophobic compounds with artificial membranes. Bioorg Med Chem, Volume 15 (11), 3756-3767, 2007";ChEMBL
MM475840;MM475840;CC(CC(=O)O)NC(=S)CC(N)C(C)C;;232.35;1.14;23630525;;;CHEMBL388427;CACO;ECACO;25;0;"from B to A, <a href=https://www.ebi.ac.uk/chembl/assay_report_card/CHEMBL896859/  target=_blank>CHEMBL896859</a>";;;;;;;;;-6.91;;;;;;;;;;;;"Hubatsch I, Arvidsson PI, Seebach D, Luthman K, Artursson P.: Beta- and gamma-di- and tripeptides as potential substrates for the oligopeptide transporter hPepT1. J Med Chem, Volume 50 (21), 2007";ChEMBL
MM472531;MM472531;CCOP(=S)(OCC)Oc1cc(C)nc(C(C)C)n1;;304.35;3.58;;;;CHEMBL388560;CACO;ECACO;25;0;"from B to A, <a href=https://www.ebi.ac.uk/chembl/assay_report_card/CHEMBL905617/  target=_blank>CHEMBL905617</a>";;;;;;;;;-4.42;;;;;;;;;;;;"Fujikawa M, Nakao K, Shimizu R, Akamatsu M.: QSAR study on permeability of hydrophobic compounds with artificial membranes. Bioorg Med Chem, Volume 15 (11), 3756-3767, 2007";ChEMBL
MM475845;MM475845;CCCC1(CC(=O)O)OCCc2c1[nH]c1c(C)ccc(C#N)c21;;312.37;3.39;3013096;;;CHEMBL390282;CACO;ECACO;25;0;"from B to A, <a href=https://www.ebi.ac.uk/chembl/assay_report_card/CHEMBL1109068/  target=_blank>CHEMBL1109068</a>";;;;;;;;;-5.66;;;;;;;;;;;;"LaPorte MG, Draper TL, Miller LE, Blackledge CW, Leister LK, Amparo E, Hussey AR, Young DC, Chunduru SK, Benetatos CA, Rhodes G, Gopalsamy A, Herbertz T, Burns CJ, Condon SM.: The discovery and structure-activity relationships of pyrano[3,4-b]indole based inhibitors of hepatitis C virus NS5B polymerase. Bioorg Med Chem Lett, Volume 20 (9), 2010";ChEMBL
MM475852;MM475852;C[C@@H]1O[C@H](c2ccc(Cl)cc2)OC[C@H]1N;;227.69;2.1;;;;CHEMBL391607;CACO;ECACO;25;0;"from B to A, <a href=https://www.ebi.ac.uk/chembl/assay_report_card/CHEMBL923279/  target=_blank>CHEMBL923279</a>";;;;;;;;;-5.16;;;;;;;;;;;;"Gu K, Bi L, Zhao M, Wang C, Ju J, Peng S.: Toward the development of chemoprevention agents. Part II: Chemo-enzymatic synthesis and anti-inflammatory activities of a new class of 5-amino-2-substitutedphenyl-1,3-dioxacycloalkanes. Bioorg Med Chem, Volume 15 (18), 2007";ChEMBL
MM475861;MM475861;Cn1cncc1CN1CC(N(Cc2cccc(-n3cccc3)c2)S(=O)(=O)c2ccccn2)Cc2cc(C#N)ccc21;;563.69;4.3;17758781;;;CHEMBL392233;CACO;ECACO;25;0;"from B to A, <a href=https://www.ebi.ac.uk/chembl/assay_report_card/CHEMBL967839/  target=_blank>CHEMBL967839</a>";;;;;;;;;-4.92;;;;;;;;;;;;"Van Voorhis WC, Rivas KL, Bendale P, Nallan L, Hornéy C, Barrett LK, Bauer KD, Smart BP, Ankala S, Hucke O, Verlinde CL, Chakrabarti D, Strickland C, Yokoyama K, Buckner FS, Hamilton AD, Williams DK, Lombardo LJ, Floyd D, Gelb MH.: Efficacy, pharmacokinetics, and metabolism of tetrahydroquinoline inhibitors of Plasmodium falciparum protein farnesyltransferase. Antimicrob Agents Chemother, Volume 51 (10), 2007";ChEMBL
MM475867;MM475867;O=C(Cc1ccccc1)N[C@H]1CO[C@H](/C=C/c2ccccc2)OC1;;323.39;2.8;;;;CHEMBL392590;CACO;ECACO;25;0;"from B to A, <a href=https://www.ebi.ac.uk/chembl/assay_report_card/CHEMBL923279/  target=_blank>CHEMBL923279</a>";;;;;;;;;-5.14;;;;;;;;;;;;"Gu K, Bi L, Zhao M, Wang C, Ju J, Peng S.: Toward the development of chemoprevention agents. Part II: Chemo-enzymatic synthesis and anti-inflammatory activities of a new class of 5-amino-2-substitutedphenyl-1,3-dioxacycloalkanes. Bioorg Med Chem, Volume 15 (18), 2007";ChEMBL
MM475868;MM475868;CSc1ccccc1CNc1ncc([N+](=O)[O-])c(NCC2CCC(CN)CC2)n1;;416.55;3.9;;;;CHEMBL392642;CACO;ECACO;25;+1,-1;"from B to A, <a href=https://www.ebi.ac.uk/chembl/assay_report_card/CHEMBL902311/  target=_blank>CHEMBL902311</a>";;;;;;;;;-5.72;;;;;;;;;;;;"Cywin CL, Dahmann G, Prokopowicz AS, Young ER, Magolda RL, Cardozo MG, Cogan DA, Disalvo D, Ginn JD, Kashem MA, Wolak JP, Homon CA, Farrell TM, Grbic H, Hu H, Kaplita PV, Liu LH, Spero DM, Jeanfavre DD, O'Shea KM, White DM, Woska JR, Brown ML.: Discovery of potent and selective PKC-theta inhibitors. Bioorg Med Chem Lett, Volume 17 (1), 2007";ChEMBL
MM475871;MM475871;C[C@@H]1O[C@H](c2ccc([N+](=O)[O-])cc2)OC[C@H]1N;;238.24;1.36;;;;CHEMBL393099;CACO;ECACO;25;+1,-1;"from B to A, <a href=https://www.ebi.ac.uk/chembl/assay_report_card/CHEMBL923279/  target=_blank>CHEMBL923279</a>";;;;;;;;;-5.16;;;;;;;;;;;;"Gu K, Bi L, Zhao M, Wang C, Ju J, Peng S.: Toward the development of chemoprevention agents. Part II: Chemo-enzymatic synthesis and anti-inflammatory activities of a new class of 5-amino-2-substitutedphenyl-1,3-dioxacycloalkanes. Bioorg Med Chem, Volume 15 (18), 2007";ChEMBL
MM475874;MM475874;C=C(c1ccccc1)C1OCC(N)C(C)O1;;219.28;1.79;44438014;;;CHEMBL393300;CACO;ECACO;25;0;"from B to A, <a href=https://www.ebi.ac.uk/chembl/assay_report_card/CHEMBL923279/  target=_blank>CHEMBL923279</a>";;;;;;;;;-5.14;;;;;;;;;;;;"Gu K, Bi L, Zhao M, Wang C, Ju J, Peng S.: Toward the development of chemoprevention agents. Part II: Chemo-enzymatic synthesis and anti-inflammatory activities of a new class of 5-amino-2-substitutedphenyl-1,3-dioxacycloalkanes. Bioorg Med Chem, Volume 15 (18), 2007";ChEMBL
MM475875;MM475875;C=C(c1ccccc1)[C@@H]1OC[C@@H](N)[C@H](C)O1;;219.28;1.79;;;;CHEMBL393301;CACO;ECACO;25;0;"from B to A, <a href=https://www.ebi.ac.uk/chembl/assay_report_card/CHEMBL923279/  target=_blank>CHEMBL923279</a>";;;;;;;;;-5.15;;;;;;;;;;;;"Gu K, Bi L, Zhao M, Wang C, Ju J, Peng S.: Toward the development of chemoprevention agents. Part II: Chemo-enzymatic synthesis and anti-inflammatory activities of a new class of 5-amino-2-substitutedphenyl-1,3-dioxacycloalkanes. Bioorg Med Chem, Volume 15 (18), 2007";ChEMBL
MM475876;MM475876;Cn1cnc(S(=O)(=O)N(Cc2ccccn2)C2Cc3cc(C#N)ccc3N(Cc3cncn3C)C2)c1;;502.6;2.24;17758219;;;CHEMBL393326;CACO;ECACO;25;0;"from B to A, <a href=https://www.ebi.ac.uk/chembl/assay_report_card/CHEMBL967839/  target=_blank>CHEMBL967839</a>";;;;;;;;;-4.62;;;;;;;;;;;;"Van Voorhis WC, Rivas KL, Bendale P, Nallan L, Hornéy C, Barrett LK, Bauer KD, Smart BP, Ankala S, Hucke O, Verlinde CL, Chakrabarti D, Strickland C, Yokoyama K, Buckner FS, Hamilton AD, Williams DK, Lombardo LJ, Floyd D, Gelb MH.: Efficacy, pharmacokinetics, and metabolism of tetrahydroquinoline inhibitors of Plasmodium falciparum protein farnesyltransferase. Antimicrob Agents Chemother, Volume 51 (10), 2007";ChEMBL
MM475878;MM475878;CC(C)CC(NCCN)c1cccc(F)c1N1CCN(C(=O)C(Cc2ccc(Cl)cc2Cl)N2CCCC2=O)CC1;;592.59;4.65;24180646;;;CHEMBL393576;CACO;ECACO;25;0;"from B to A, <a href=https://www.ebi.ac.uk/chembl/assay_report_card/CHEMBL899751/  target=_blank>CHEMBL899751</a>";;;;;;;;;-5.17;;;;;;;;;;;;"Jiang W, Tucci FC, Tran JA, Fleck BA, Wen J, Markison S, Marinkovic D, Chen CW, Arellano M, Hoare SR, Johns M, Foster AC, Saunders J, Chen C.: Pyrrolidinones as potent functional antagonists of the human melanocortin-4 receptor. Bioorg Med Chem Lett, Volume 17 (20), 2007";ChEMBL
MM475882;MM475882;Cc1noc(C)c1CN(C1Cc2cc(C#N)ccc2N(Cc2cncn2C)C1)S(=O)(=O)c1ccccn1;;517.62;3.11;17758426;;;CHEMBL394147;CACO;ECACO;25;0;"from B to A, <a href=https://www.ebi.ac.uk/chembl/assay_report_card/CHEMBL967839/  target=_blank>CHEMBL967839</a>";;;;;;;;;-4.17;;;;;;;;;;;;"Van Voorhis WC, Rivas KL, Bendale P, Nallan L, Hornéy C, Barrett LK, Bauer KD, Smart BP, Ankala S, Hucke O, Verlinde CL, Chakrabarti D, Strickland C, Yokoyama K, Buckner FS, Hamilton AD, Williams DK, Lombardo LJ, Floyd D, Gelb MH.: Efficacy, pharmacokinetics, and metabolism of tetrahydroquinoline inhibitors of Plasmodium falciparum protein farnesyltransferase. Antimicrob Agents Chemother, Volume 51 (10), 2007";ChEMBL
MM475894;MM475894;NC(=O)CN1C(=O)C(NC(=O)c2cc3cc(Cl)sc3[nH]2)Cc2ccccc21;;402.86;2.06;10476254;;;CHEMBL395955;CACO;ECACO;25;0;"from B to A, <a href=https://www.ebi.ac.uk/chembl/assay_report_card/CHEMBL889964/  target=_blank>CHEMBL889964</a>";;;;;;;;;-5.15;;;;;;;;;;;;"Birch AM, Kenny PW, Oikonomakos NG, Otterbein L, Schofield P, Whittamore PR, Whalley DP.: Development of potent, orally active 1-substituted-3,4-dihydro-2-quinolone glycogen phosphorylase inhibitors. Bioorg Med Chem Lett, Volume 17 (2), 2007";ChEMBL
MM475902;MM475902;CC(C)CC(c1c(O)c(C=O)c(O)c(C=O)c1O)C1(C)CCC2C1C1C(CCC2(C)O)C1(C)C;;472.62;5.41;454457;;;CHEMBL396609;CACO;ECACO;25;0;"from B to A, <a href=https://www.ebi.ac.uk/chembl/assay_report_card/CHEMBL885401/  target=_blank>CHEMBL885401</a>";;;;;;;;;-5.79;;;;;;;;;;;;"Yang XW, Guo QM, Wang Y, Xu W, Tian L, Tian XJ.: Intestinal permeability of antivirus constituents from the fruits of Eucalyptus globulus Labill. in Caco-2 Cell Model. Bioorg Med Chem Lett, Volume 17 (4), 2007";ChEMBL
MM475902;MM475902;CC(C)CC(c1c(O)c(C=O)c(O)c(C=O)c1O)C1(C)CCC2C1C1C(CCC2(C)O)C1(C)C;;472.62;5.41;454457;;;CHEMBL396609;CACO;ECACO;25;0;"from B to A, <a href=https://www.ebi.ac.uk/chembl/assay_report_card/CHEMBL885402/  target=_blank>CHEMBL885402</a>";;;;;;;;;-5.77;;;;;;;;;;;;"Yang XW, Guo QM, Wang Y, Xu W, Tian L, Tian XJ.: Intestinal permeability of antivirus constituents from the fruits of Eucalyptus globulus Labill. in Caco-2 Cell Model. Bioorg Med Chem Lett, Volume 17 (4), 2007";ChEMBL
MM475902;MM475902;CC(C)CC(c1c(O)c(C=O)c(O)c(C=O)c1O)C1(C)CCC2C1C1C(CCC2(C)O)C1(C)C;;472.62;5.41;454457;;;CHEMBL396609;CACO;ECACO;25;0;"from B to A, <a href=https://www.ebi.ac.uk/chembl/assay_report_card/CHEMBL885403/  target=_blank>CHEMBL885403</a>";;;;;;;;;-5.85;;;;;;;;;;;;"Yang XW, Guo QM, Wang Y, Xu W, Tian L, Tian XJ.: Intestinal permeability of antivirus constituents from the fruits of Eucalyptus globulus Labill. in Caco-2 Cell Model. Bioorg Med Chem Lett, Volume 17 (4), 2007";ChEMBL
MM475903;MM475903;CC(C)C[C@H](c1c(O)c(C=O)c(O)c(C=O)c1O)[C@@]1(C)CC[C@@H]2[C@@H]1[C@H]1[C@@H](CC[C@@]2(C)O)C1(C)C;;472.62;5.41;;;;CHEMBL396848;CACO;ECACO;25;0;"from B to A, <a href=https://www.ebi.ac.uk/chembl/assay_report_card/CHEMBL885401/  target=_blank>CHEMBL885401</a>";;;;;;;;;-5.74;;;;;;;;;;;;"Yang XW, Guo QM, Wang Y, Xu W, Tian L, Tian XJ.: Intestinal permeability of antivirus constituents from the fruits of Eucalyptus globulus Labill. in Caco-2 Cell Model. Bioorg Med Chem Lett, Volume 17 (4), 2007";ChEMBL
MM475903;MM475903;CC(C)C[C@H](c1c(O)c(C=O)c(O)c(C=O)c1O)[C@@]1(C)CC[C@@H]2[C@@H]1[C@H]1[C@@H](CC[C@@]2(C)O)C1(C)C;;472.62;5.41;;;;CHEMBL396848;CACO;ECACO;25;0;"from B to A, <a href=https://www.ebi.ac.uk/chembl/assay_report_card/CHEMBL885402/  target=_blank>CHEMBL885402</a>";;;;;;;;;-5.7;;;;;;;;;;;;"Yang XW, Guo QM, Wang Y, Xu W, Tian L, Tian XJ.: Intestinal permeability of antivirus constituents from the fruits of Eucalyptus globulus Labill. in Caco-2 Cell Model. Bioorg Med Chem Lett, Volume 17 (4), 2007";ChEMBL
MM475903;MM475903;CC(C)C[C@H](c1c(O)c(C=O)c(O)c(C=O)c1O)[C@@]1(C)CC[C@@H]2[C@@H]1[C@H]1[C@@H](CC[C@@]2(C)O)C1(C)C;;472.62;5.41;;;;CHEMBL396848;CACO;ECACO;25;0;"from B to A, <a href=https://www.ebi.ac.uk/chembl/assay_report_card/CHEMBL885403/  target=_blank>CHEMBL885403</a>";;;;;;;;;-5.67;;;;;;;;;;;;"Yang XW, Guo QM, Wang Y, Xu W, Tian L, Tian XJ.: Intestinal permeability of antivirus constituents from the fruits of Eucalyptus globulus Labill. in Caco-2 Cell Model. Bioorg Med Chem Lett, Volume 17 (4), 2007";ChEMBL
MM475906;MM475906;CC(CO)Nc1nc(SCc2cccc(F)c2F)nc2nc(N)sc12;;383.45;3.03;11440492;;;CHEMBL397237;CACO;ECACO;25;0;"from B to A, <a href=https://www.ebi.ac.uk/chembl/assay_report_card/CHEMBL893611/  target=_blank>CHEMBL893611</a>";;;;;;;;;-4.86;;;;;;;;;;;;"Hunt F, Austin C, Austin R, Bonnert R, Cage P, Christie J, Christie M, Dixon C, Hill S, Jewell R, Martin I, Robinson D, Willis P.: SAR studies on thiazolo[4,5-d]pyrimidine based CXCR2 antagonists involving a novel tandem displacement reaction. Bioorg Med Chem Lett, Volume 17 (10), 2007";ChEMBL
MM475908;MM475908;CCCC(CC(C)NC(=O)C(C)CC(NC(=O)C(Cc1ccccc1)CC(C)N)C(C)C)C(=O)O;;489.7;4.15;23631917;;;CHEMBL397682;CACO;ECACO;25;0;"from B to A, <a href=https://www.ebi.ac.uk/chembl/assay_report_card/CHEMBL896859/  target=_blank>CHEMBL896859</a>";;;;;;;;;-7.01;;;;;;;;;;;;"Hubatsch I, Arvidsson PI, Seebach D, Luthman K, Artursson P.: Beta- and gamma-di- and tripeptides as potential substrates for the oligopeptide transporter hPepT1. J Med Chem, Volume 50 (21), 2007";ChEMBL
MM475909;MM475909;O=C(NC1Cc2ccccc2N(CC(CO)CO)C1=O)c1cc2cc(Cl)sc2[nH]1;;433.92;2.17;10094429;;;CHEMBL397688;CACO;ECACO;25;0;"from B to A, <a href=https://www.ebi.ac.uk/chembl/assay_report_card/CHEMBL889964/  target=_blank>CHEMBL889964</a>";;;;;;;;;-5;;;;;;;;;;;;"Birch AM, Kenny PW, Oikonomakos NG, Otterbein L, Schofield P, Whittamore PR, Whalley DP.: Development of potent, orally active 1-substituted-3,4-dihydro-2-quinolone glycogen phosphorylase inhibitors. Bioorg Med Chem Lett, Volume 17 (2), 2007";ChEMBL
MM475911;MM475911;CC1OC(c2ccc(Cl)cc2)OCC1N;;227.69;2.1;44438006;;;CHEMBL398078;CACO;ECACO;25;0;"from B to A, <a href=https://www.ebi.ac.uk/chembl/assay_report_card/CHEMBL923279/  target=_blank>CHEMBL923279</a>";;;;;;;;;-5.15;;;;;;;;;;;;"Gu K, Bi L, Zhao M, Wang C, Ju J, Peng S.: Toward the development of chemoprevention agents. Part II: Chemo-enzymatic synthesis and anti-inflammatory activities of a new class of 5-amino-2-substitutedphenyl-1,3-dioxacycloalkanes. Bioorg Med Chem, Volume 15 (18), 2007";ChEMBL
MM475912;MM475912;O=C(O)COc1ccc(Cl)cc1C1CCCCCC1;;282.77;4.24;11514705;;;CHEMBL398126;CACO;ECACO;25;0;"from B to A, <a href=https://www.ebi.ac.uk/chembl/assay_report_card/CHEMBL888201/  target=_blank>CHEMBL888201</a>";;;;;;;;;-4.67;;;;;;;;;;;;"Sandham DA, Aldcroft C, Baettig U, Barker L, Beer D, Bhalay G, Brown Z, Dubois G, Budd D, Bidlake L, Campbell E, Cox B, Everatt B, Harrison D, Leblanc CJ, Manini J, Profit R, Stringer R, Thompson KS, Turner KL, Tweed MF, Walker C, Watson SJ, Whitebread S, Willis J, Williams G, Wilson C.: 2-Cycloalkyl phenoxyacetic acid CRTh2 receptor antagonists. Bioorg Med Chem Lett, Volume 17 (15), 2007";ChEMBL
Hesperetin;MM00371;COc1ccc(C2CC(=O)c3c(O)cc(O)cc3O2)cc1O;AIONOLUJZLIMTK-AWEZNQCLSA-N;302.28;2.52;72281;DB01094;6JP;CHEMBL399121;CACO;ECACO;25;0;"from B to A, <a href=https://www.ebi.ac.uk/chembl/assay_report_card/CHEMBL988138/  target=_blank>CHEMBL988138</a>";;;;;;;;;-4.57;;;;;;;;;;;;"Serra H, Mendes T, Bronze MR, Simplício AL.: Prediction of intestinal absorption and metabolism of pharmacologically active flavones and flavanones. Bioorg Med Chem, Volume 16 (7), 2008";ChEMBL
MM475952;MM475952;N#Cc1ccc(NCC(F)(F)c2ccc(F)c(F)c2)c(F)c1CC(=O)NCCON=C(N)N;;470.4;2.25;11351875;;;CHEMBL403310;CACO;ECACO;25;0;"from B to A, <a href=https://www.ebi.ac.uk/chembl/assay_report_card/CHEMBL934698/  target=_blank>CHEMBL934698</a>";;;;;;;;;-5.59;;;;;;;;;;;;"Kreutter KD, Lu T, Lee L, Giardino EC, Patel S, Huang H, Xu G, Fitzgerald M, Haertlein BJ, Mohan V, Crysler C, Eisennagel S, Dasgupta M, McMillan M, Spurlino JC, Huebert ND, Maryanoff BE, Tomczuk BE, Damiano BP, Player MR.: Orally efficacious thrombin inhibitors with cyanofluorophenylacetamide as the P2 motif. Bioorg Med Chem Lett, Volume 18 (9), 2008";ChEMBL
MM475953;MM475953;N#Cc1ccc(NCC(F)(F)c2cccc(Cl)c2)c(F)c1CC(=O)NCCON=C(N)N;;468.87;2.63;11225163;;;CHEMBL403359;CACO;ECACO;25;0;"from B to A, <a href=https://www.ebi.ac.uk/chembl/assay_report_card/CHEMBL934698/  target=_blank>CHEMBL934698</a>";;;;;;;;;-5;;;;;;;;;;;;"Kreutter KD, Lu T, Lee L, Giardino EC, Patel S, Huang H, Xu G, Fitzgerald M, Haertlein BJ, Mohan V, Crysler C, Eisennagel S, Dasgupta M, McMillan M, Spurlino JC, Huebert ND, Maryanoff BE, Tomczuk BE, Damiano BP, Player MR.: Orally efficacious thrombin inhibitors with cyanofluorophenylacetamide as the P2 motif. Bioorg Med Chem Lett, Volume 18 (9), 2008";ChEMBL
Chembl403441;MM468380;CCOc1ccccc1CC(c1ccccc1)N1CCNCC1;CVFBVSUFNWOPLD-LJQANCHMSA-N;310.44;3.27;16043230;;;CHEMBL403441;CACO;ECACO;25;0;"from B to A, <a href=https://www.ebi.ac.uk/chembl/assay_report_card/CHEMBL1120627/  target=_blank>CHEMBL1120627</a>";;;;;;;;;-4.44;;;;;;;;;;;;"Fray MJ, Fish PV, Allan GA, Bish G, Clarke N, Eccles R, Harrison AC, Le Net JL, Phillips SC, Regan N, Sobry C, Stobie A, Wakenhut F, Westbrook D, Westbrook SL, Whitlock GA.: Second generation N-(1,2-diphenylethyl)piperazines as dual serotonin and noradrenaline reuptake inhibitors: improving metabolic stability and reducing ion channel activity. Bioorg Med Chem Lett, Volume 20 (12), 2010";ChEMBL
MM475960;MM475960;N#Cc1ccc(NCC(F)(F)c2ccccc2)c(F)c1CC(=O)NCCON=C(N)N;;434.42;1.97;11293438;;;CHEMBL404025;CACO;ECACO;25;0;"from B to A, <a href=https://www.ebi.ac.uk/chembl/assay_report_card/CHEMBL934698/  target=_blank>CHEMBL934698</a>";;;;;;;;;-5.34;;;;;;;;;;;;"Kreutter KD, Lu T, Lee L, Giardino EC, Patel S, Huang H, Xu G, Fitzgerald M, Haertlein BJ, Mohan V, Crysler C, Eisennagel S, Dasgupta M, McMillan M, Spurlino JC, Huebert ND, Maryanoff BE, Tomczuk BE, Damiano BP, Player MR.: Orally efficacious thrombin inhibitors with cyanofluorophenylacetamide as the P2 motif. Bioorg Med Chem Lett, Volume 18 (9), 2008";ChEMBL
MM19072;MM19072;COc1ccc2c(c1)C(CCCN1CCc3cc(OC)c(OC)cc3C1)CCC2;CRXITWCKFZMSFG-UHFFFAOYSA-N;395.54;4.97;24945195;;;CHEMBL405372;CACO;ECACO;25;0;"from B to A, <a href=https://www.ebi.ac.uk/chembl/assay_report_card/CHEMBL921231/  target=_blank>CHEMBL921231</a>";;;;;;;;;-3.77;;;;;;;;;;;;"Colabufo NA, Berardi F, Cantore M, Perrone MG, Contino M, Inglese C, Niso M, Perrone R, Azzariti A, Simone GM, Porcelli L, Paradiso A.: Small P-gp modulating molecules: SAR studies on tetrahydroisoquinoline derivatives. Bioorg Med Chem, Volume 16 (1), 2008";ChEMBL
MM475967;MM475967;COc1ccc2c(c1)/C(=C/CCN1CCc3cc(OC)c(OC)cc3C1)CCC2;;393.53;4.88;;;;CHEMBL405448;CACO;ECACO;25;0;"from B to A, <a href=https://www.ebi.ac.uk/chembl/assay_report_card/CHEMBL921231/  target=_blank>CHEMBL921231</a>";;;;;;;;;-3.18;;;;;;;;;;;;"Colabufo NA, Berardi F, Cantore M, Perrone MG, Contino M, Inglese C, Niso M, Perrone R, Azzariti A, Simone GM, Porcelli L, Paradiso A.: Small P-gp modulating molecules: SAR studies on tetrahydroisoquinoline derivatives. Bioorg Med Chem, Volume 16 (1), 2008";ChEMBL
MM475968;MM475968;COc1cc2c(cc1OC)CN(Cc1ccc(-c3ccccc3)cc1)CC2;;359.47;4.93;1067853;;;CHEMBL405615;CACO;ECACO;25;0;"from B to A, <a href=https://www.ebi.ac.uk/chembl/assay_report_card/CHEMBL923494/  target=_blank>CHEMBL923494</a>";;;;;;;;;-3.85;;;;;;;;;;;;"Colabufo NA, Berardi F, Cantore M, Perrone MG, Contino M, Inglese C, Niso M, Perrone R, Azzariti A, Simone GM, Paradiso A.: 4-Biphenyl and 2-naphthyl substituted 6,7-dimethoxytetrahydroisoquinoline derivatives as potent P-gp modulators. Bioorg Med Chem, Volume 16 (7), 2008";ChEMBL
MM475969;MM475969;COc1ccc2cc(CN3CCc4cc(OC)c(OC)cc4C3)ccc2c1;;363.46;4.42;44451743;;;CHEMBL406088;CACO;ECACO;25;0;"from B to A, <a href=https://www.ebi.ac.uk/chembl/assay_report_card/CHEMBL923494/  target=_blank>CHEMBL923494</a>";;;;;;;;;-4.73;;;;;;;;;;;;"Colabufo NA, Berardi F, Cantore M, Perrone MG, Contino M, Inglese C, Niso M, Perrone R, Azzariti A, Simone GM, Paradiso A.: 4-Biphenyl and 2-naphthyl substituted 6,7-dimethoxytetrahydroisoquinoline derivatives as potent P-gp modulators. Bioorg Med Chem, Volume 16 (7), 2008";ChEMBL
MM18929;MM18929;COc1cc2c(cc1OC)CN(CCC=C1CCCCC1)CC2;NERQQHBBXMVPQY-UHFFFAOYSA-N;315.46;4.34;44451249;;;CHEMBL408993;CACO;ECACO;25;0;"from B to A, <a href=https://www.ebi.ac.uk/chembl/assay_report_card/CHEMBL921231/  target=_blank>CHEMBL921231</a>";;;;;;;;;-3.62;;;;;;;;;;;;"Colabufo NA, Berardi F, Cantore M, Perrone MG, Contino M, Inglese C, Niso M, Perrone R, Azzariti A, Simone GM, Porcelli L, Paradiso A.: Small P-gp modulating molecules: SAR studies on tetrahydroisoquinoline derivatives. Bioorg Med Chem, Volume 16 (1), 2008";ChEMBL
MM475976;MM475976;CN(Cc1ccccc1)C(=O)C(NC(=O)c1cc2cc(NC(=O)c3ccccc3-c3ccc(C(F)(F)F)cc3)ccc2n1C)c1ccccc1;;674.72;8.25;9917862;;;CHEMBL410414;CACO;ECACO;25;0;"from B to A, <a href=https://www.ebi.ac.uk/chembl/assay_report_card/CHEMBL897342/  target=_blank>CHEMBL897342</a>";;;;;;;;;-6.4;;;;;;;;;;;;"Li J, Bronk BS, Dirlam JP, Blize AE, Bertinato P, Jaynes BH, Hickman A, Miskell C, Pillai UA, Tibbitts JS, Haven ML, Kolosko NL, Barry CJ, Manion TB.: In vitro and in vivo profile of 5-[(4'-trifluoromethyl-biphenyl-2-carbonyl)-amino]-1H-indole-2-carboxylic acid benzylmethyl carbamoylamide (dirlotapide), a novel potent MTP inhibitor for obesity. Bioorg Med Chem Lett, Volume 17 (7), 2007";ChEMBL
MM475976;MM475976;CN(Cc1ccccc1)C(=O)C(NC(=O)c1cc2cc(NC(=O)c3ccccc3-c3ccc(C(F)(F)F)cc3)ccc2n1C)c1ccccc1;;674.72;8.25;9917862;;;CHEMBL410414;CACO;ECACO;25;0;"from B to A, <a href=https://www.ebi.ac.uk/chembl/assay_report_card/CHEMBL897343/  target=_blank>CHEMBL897343</a>";;;;;;;;;-6.52;;;;;;;;;;;;"Li J, Bronk BS, Dirlam JP, Blize AE, Bertinato P, Jaynes BH, Hickman A, Miskell C, Pillai UA, Tibbitts JS, Haven ML, Kolosko NL, Barry CJ, Manion TB.: In vitro and in vivo profile of 5-[(4'-trifluoromethyl-biphenyl-2-carbonyl)-amino]-1H-indole-2-carboxylic acid benzylmethyl carbamoylamide (dirlotapide), a novel potent MTP inhibitor for obesity. Bioorg Med Chem Lett, Volume 17 (7), 2007";ChEMBL
MM18931;MM18931;COc1cc2c(cc1OC)CN(CCCC1=CCCc3c(OC)cccc31)CC2;BKLBMMUVHQYDCN-UHFFFAOYSA-N;393.53;4.88;24945105;;;CHEMBL415560;CACO;ECACO;25;0;"from B to A, <a href=https://www.ebi.ac.uk/chembl/assay_report_card/CHEMBL921231/  target=_blank>CHEMBL921231</a>";;;;;;;;;-3.94;;;;;;;;;;;;"Colabufo NA, Berardi F, Cantore M, Perrone MG, Contino M, Inglese C, Niso M, Perrone R, Azzariti A, Simone GM, Porcelli L, Paradiso A.: Small P-gp modulating molecules: SAR studies on tetrahydroisoquinoline derivatives. Bioorg Med Chem, Volume 16 (1), 2008";ChEMBL
MM475993;MM475993;Cn1cc(C#N)c2ccc(NC(=O)NOCc3ccccc3)cc21;;320.35;3.3;44410595;;;CHEMBL426498;CACO;ECACO;25;0;"from B to A, <a href=https://www.ebi.ac.uk/chembl/assay_report_card/CHEMBL870727/  target=_blank>CHEMBL870727</a>";;;;;;;;;-4.72;;;;;;;;;;;;"Beevers RE, Buckley GM, Davies N, Fraser JL, Galvin FC, Hannah DR, Haughan AF, Jenkins K, Mack SR, Pitt WR, Ratcliffe AJ, Richard MD, Sabin V, Sharpe A, Williams SC.: Novel indole inhibitors of IMPDH from fragments: synthesis and initial structure-activity relationships. Bioorg Med Chem Lett, Volume 16 (9), 2006";ChEMBL
MM475998;MM475998;Cn1cncc1CN1CC(N(CCn2cccc2)S(=O)(=O)c2ccccn2)Cc2cc(C#N)ccc21;;501.62;2.81;17758316;;;CHEMBL428712;CACO;ECACO;25;0;"from B to A, <a href=https://www.ebi.ac.uk/chembl/assay_report_card/CHEMBL967839/  target=_blank>CHEMBL967839</a>";;;;;;;;;-4.34;;;;;;;;;;;;"Van Voorhis WC, Rivas KL, Bendale P, Nallan L, Hornéy C, Barrett LK, Bauer KD, Smart BP, Ankala S, Hucke O, Verlinde CL, Chakrabarti D, Strickland C, Yokoyama K, Buckner FS, Hamilton AD, Williams DK, Lombardo LJ, Floyd D, Gelb MH.: Efficacy, pharmacokinetics, and metabolism of tetrahydroquinoline inhibitors of Plasmodium falciparum protein farnesyltransferase. Antimicrob Agents Chemother, Volume 51 (10), 2007";ChEMBL
MM476011;MM476011;CC(C)CN(CC(O)C(Cc1ccccc1)NC(=O)OC1COC2OCCC12)S(=O)(=O)c1ccc2nc(NCCN3CCCC3)sc2c1;;701.91;3.91;509608;;;CHEMBL436082;CACO;ECACO;25;0;"from B to A, <a href=https://www.ebi.ac.uk/chembl/assay_report_card/CHEMBL836787/  target=_blank>CHEMBL836787</a>";;;;;;;;;-4.66;;;;;;;;;;;;"Surleraux DL, de Kock HA, Verschueren WG, Pille GM, Maes LJ, Peeters A, Vendeville S, De Meyer S, Azijn H, Pauwels R, de Bethune MP, King NM, Prabu-Jeyabalan M, Schiffer CA, Wigerinck PB.: Design of HIV-1 protease inhibitors active on multidrug-resistant virus. J Med Chem, Volume 48 (6), 2005";ChEMBL
MM476012;MM476012;"CC(C)C[C@@H]1NC(=O)[C@H](Cc2ccccc2)NC(=O)CNC(=O)[C@@H](C)NC(=O)[C@H](Cc2ccc(O)cc2)NC(=O)/C=C\c2ccccc2OCOC1=O";CQTYKIZQGJDXFK-ULBASCLCSA-N;727.82;1.91;;;;;CACO;ECACO;25;0;"from B to A, <a href=https://www.ebi.ac.uk/chembl/assay_report_card/CHEMBL864081/  target=_blank>CHEMBL864081</a>";;;;;;;;;-5.85;;;;;;;;;;;;"Liederer BM, Fuchs T, Vander Velde D, Siahaan TJ, Borchardt RT.: Effects of amino acid chirality and the chemical linker on the cell permeation characteristics of cyclic prodrugs of opioid peptides. J Med Chem, Volume 49 (4), 2006";ChEMBL
MM476012;MM476012;"CC(C)C[C@@H]1NC(=O)[C@H](Cc2ccccc2)NC(=O)CNC(=O)[C@@H](C)NC(=O)[C@H](Cc2ccc(O)cc2)NC(=O)/C=C\c2ccccc2OCOC1=O";CQTYKIZQGJDXFK-ULBASCLCSA-N;727.82;1.91;;;;;CACO;ECACO;25;0;"from B to A, <a href=https://www.ebi.ac.uk/chembl/assay_report_card/CHEMBL864082/  target=_blank>CHEMBL864082</a>";;;;;;;;;-5.88;;;;;;;;;;;;"Liederer BM, Fuchs T, Vander Velde D, Siahaan TJ, Borchardt RT.: Effects of amino acid chirality and the chemical linker on the cell permeation characteristics of cyclic prodrugs of opioid peptides. J Med Chem, Volume 49 (4), 2006";ChEMBL
MM476012;MM476012;"CC(C)C[C@@H]1NC(=O)[C@H](Cc2ccccc2)NC(=O)CNC(=O)[C@@H](C)NC(=O)[C@H](Cc2ccc(O)cc2)NC(=O)/C=C\c2ccccc2OCOC1=O";CQTYKIZQGJDXFK-ULBASCLCSA-N;727.82;1.91;;;;;CACO;ECACO;25;0;"from B to A, <a href=https://www.ebi.ac.uk/chembl/assay_report_card/CHEMBL865286/  target=_blank>CHEMBL865286</a>";;;;;;;;;-6;;;;;;;;;;;;"Liederer BM, Fuchs T, Vander Velde D, Siahaan TJ, Borchardt RT.: Effects of amino acid chirality and the chemical linker on the cell permeation characteristics of cyclic prodrugs of opioid peptides. J Med Chem, Volume 49 (4), 2006";ChEMBL
MM476012;MM476012;"CC(C)C[C@@H]1NC(=O)[C@H](Cc2ccccc2)NC(=O)CNC(=O)[C@@H](C)NC(=O)[C@H](Cc2ccc(O)cc2)NC(=O)/C=C\c2ccccc2OCOC1=O";CQTYKIZQGJDXFK-ULBASCLCSA-N;727.82;1.91;;;;;CACO;ECACO;25;0;"from B to A, <a href=https://www.ebi.ac.uk/chembl/assay_report_card/CHEMBL865287/  target=_blank>CHEMBL865287</a>";;;;;;;;;-6.05;;;;;;;;;;;;"Liederer BM, Fuchs T, Vander Velde D, Siahaan TJ, Borchardt RT.: Effects of amino acid chirality and the chemical linker on the cell permeation characteristics of cyclic prodrugs of opioid peptides. J Med Chem, Volume 49 (4), 2006";ChEMBL
MM476013;MM476013;CCN1CCC(C(=O)NC2(C(=O)O)CCN(Cc3cccc(Oc4ccccc4Cl)c3)CC2)(c2ccccc2)CC1;;576.14;5.72;11563243;;;CHEMBL436753;CACO;ECACO;25;0;"from B to A, <a href=https://www.ebi.ac.uk/chembl/assay_report_card/CHEMBL870776/  target=_blank>CHEMBL870776</a>";;;;;;;;;-4.08;;;;;;;;;;;;"Ghosh S, Elder A, Guo J, Mani U, Patane M, Carson K, Ye Q, Bennett R, Chi S, Jenkins T, Guan B, Kolbeck R, Smith S, Zhang C, LaRosa G, Jaffee B, Yang H, Eddy P, Lu C, Uttamsingh V, Horlick R, Harriman G, Flynn D.: Design, synthesis, and progress toward optimization of potent small molecule antagonists of CC chemokine receptor 8 (CCR8). J Med Chem, Volume 49 (9), 2006";ChEMBL
MM476022;MM476022;O=C(c1ccc(Cl)cc1NS(=O)(=O)c1cccc2nsnc12)N1CCCCC1;;436.95;3.77;11453391;;;CHEMBL437908;CACO;ECACO;25;0;"from B to A, <a href=https://www.ebi.ac.uk/chembl/assay_report_card/CHEMBL912961/  target=_blank>CHEMBL912961</a>";;;;;;;;;-5.74;;;;;;;;;;;;"Allison BD, Phuong VK, McAtee LC, Rosen M, Morton M, Prendergast C, Barrett T, Lagaud G, Freedman J, Li L, Wu X, Venkatesan H, Pippel M, Woods C, Rizzolio MC, Hack M, Hoey K, Deng X, King C, Shankley NP, Rabinowitz MH.: Identification and optimization of anthranilic sulfonamides as novel, selective cholecystokinin-2 receptor antagonists. J Med Chem, Volume 49 (21), 2006";ChEMBL
MM476026;MM476026;COc1cc2c(cc1OC)CN(C(=O)c1ccc(-c3ccccc3)cc1)CC2;;373.45;4.57;1966976;;;CHEMBL438729;CACO;ECACO;25;0;"from B to A, <a href=https://www.ebi.ac.uk/chembl/assay_report_card/CHEMBL923494/  target=_blank>CHEMBL923494</a>";;;;;;;;;-3.61;;;;;;;;;;;;"Colabufo NA, Berardi F, Cantore M, Perrone MG, Contino M, Inglese C, Niso M, Perrone R, Azzariti A, Simone GM, Paradiso A.: 4-Biphenyl and 2-naphthyl substituted 6,7-dimethoxytetrahydroisoquinoline derivatives as potent P-gp modulators. Bioorg Med Chem, Volume 16 (7), 2008";ChEMBL
MM476042;MM476042;O=C(CO)Nc1ccc2ncn(Cc3ccc(Cl)c(Cl)c3)c(=O)c2c1;;378.22;2.68;25158453;;;CHEMBL444433;CACO;ECACO;25;0;"from B to A, <a href=https://www.ebi.ac.uk/chembl/assay_report_card/CHEMBL1015825/  target=_blank>CHEMBL1015825</a>";;;;;;;;;-4.33;;;;;;;;;;;;"Koltun DO, Vasilevich NI, Parkhill EQ, Glushkov AI, Zilbershtein TM, Mayboroda EI, Boze MA, Cole AG, Henderson I, Zautke NA, Brunn SA, Chu N, Hao J, Mollova N, Leung K, Chisholm JW, Zablocki J.: Orally bioavailable, liver-selective stearoyl-CoA desaturase (SCD) inhibitors. Bioorg Med Chem Lett, Volume 19 (11), 2009";ChEMBL
MM476053;MM476053;O=C(O)[C@@H]1Cc2ccccc2CN1;;177.2;0.79;;;;CHEMBL447576;CACO;ECACO;25;0;"from B to A, <a href=https://www.ebi.ac.uk/chembl/assay_report_card/CHEMBL1046167/  target=_blank>CHEMBL1046167</a>";;;;;;;;;-5.13;;;;;;;;;;;;"Cheng S, Zhang X, Wang W, Zhao M, Zheng M, Chang HW, Wu J, Peng S.: A class of novel N-(3S-1,2,3,4-tetrahydroisoquinoline-3-carbonyl)-L-amino acid derivatives: their synthesis, anti-thrombotic activity evaluation, and 3D QSAR analysis. Eur J Med Chem, Volume 44 (12), 2009";ChEMBL
MM476055;MM476055;CC12C=CC(=O)C=C1CCC1C2C(O)CC2(C)C1CCC2(O)C(=O)COC(=O)CCc1ccccc1N=Nc1ccc(O)c(C(=O)O)c1;ZTPJLOFUXLAVEN-VPPATSFHSA-N;656.73;5.56;135885130;;;CHEMBL447722;CACO;ECACO;25;0;"from B to A, <a href=https://www.ebi.ac.uk/chembl/assay_report_card/CHEMBL973473/  target=_blank>CHEMBL973473</a>";;;;;;;;;-4.85;;;;;;;;;;;;"Ruiz JF, Radics G, Windle H, Serra HO, Simplício AL, Kedziora K, Fallon PG, Kelleher DP, Gilmer JF.: Design, synthesis, and pharmacological effects of a cyclization-activated steroid prodrug for colon targeting in inflammatory bowel disease. J Med Chem, Volume 52 (10), 2009";ChEMBL
MM476080;MM476080;Cn1cnc(S(=O)(=O)N(Cc2cccc(-n3cccc3)c2)C2Cc3cc(C#N)ccc3N(Cc3cncn3C)C2)c1;;566.69;3.64;44566101;;;CHEMBL460522;CACO;ECACO;25;0;"from B to A, <a href=https://www.ebi.ac.uk/chembl/assay_report_card/CHEMBL967839/  target=_blank>CHEMBL967839</a>";;;;;;;;;-4.28;;;;;;;;;;;;"Van Voorhis WC, Rivas KL, Bendale P, Nallan L, Hornéy C, Barrett LK, Bauer KD, Smart BP, Ankala S, Hucke O, Verlinde CL, Chakrabarti D, Strickland C, Yokoyama K, Buckner FS, Hamilton AD, Williams DK, Lombardo LJ, Floyd D, Gelb MH.: Efficacy, pharmacokinetics, and metabolism of tetrahydroquinoline inhibitors of Plasmodium falciparum protein farnesyltransferase. Antimicrob Agents Chemother, Volume 51 (10), 2007";ChEMBL
MM476089;MM476089;O=C(Nc1ccc2ncn(Cc3ccc(Cl)c(Cl)c3)c(=O)c2c1)OCc1ccccc1;;454.31;5.5;25157288;;;CHEMBL466313;CACO;ECACO;25;0;"from B to A, <a href=https://www.ebi.ac.uk/chembl/assay_report_card/CHEMBL1015825/  target=_blank>CHEMBL1015825</a>";;;;;;;;;-6.15;;;;;;;;;;;;"Koltun DO, Vasilevich NI, Parkhill EQ, Glushkov AI, Zilbershtein TM, Mayboroda EI, Boze MA, Cole AG, Henderson I, Zautke NA, Brunn SA, Chu N, Hao J, Mollova N, Leung K, Chisholm JW, Zablocki J.: Orally bioavailable, liver-selective stearoyl-CoA desaturase (SCD) inhibitors. Bioorg Med Chem Lett, Volume 19 (11), 2009";ChEMBL
MM476090;MM476090;O=C(Nc1ccc2ncn(Cc3ccc(F)c(Cl)c3)c(=O)c2c1)OCc1ccccc1;;437.86;4.99;25157578;;;CHEMBL466314;CACO;ECACO;25;0;"from B to A, <a href=https://www.ebi.ac.uk/chembl/assay_report_card/CHEMBL1015825/  target=_blank>CHEMBL1015825</a>";;;;;;;;;-6.52;;;;;;;;;;;;"Koltun DO, Vasilevich NI, Parkhill EQ, Glushkov AI, Zilbershtein TM, Mayboroda EI, Boze MA, Cole AG, Henderson I, Zautke NA, Brunn SA, Chu N, Hao J, Mollova N, Leung K, Chisholm JW, Zablocki J.: Orally bioavailable, liver-selective stearoyl-CoA desaturase (SCD) inhibitors. Bioorg Med Chem Lett, Volume 19 (11), 2009";ChEMBL
MM476091;MM476091;O=C(CO)Nc1ccc2ncn(Cc3ccc(Cl)c(C(F)(F)F)c3)c(=O)c2c1;;411.77;3.05;25159237;;;CHEMBL466674;CACO;ECACO;25;0;"from B to A, <a href=https://www.ebi.ac.uk/chembl/assay_report_card/CHEMBL1015825/  target=_blank>CHEMBL1015825</a>";;;;;;;;;-4.4;;;;;;;;;;;;"Koltun DO, Vasilevich NI, Parkhill EQ, Glushkov AI, Zilbershtein TM, Mayboroda EI, Boze MA, Cole AG, Henderson I, Zautke NA, Brunn SA, Chu N, Hao J, Mollova N, Leung K, Chisholm JW, Zablocki J.: Orally bioavailable, liver-selective stearoyl-CoA desaturase (SCD) inhibitors. Bioorg Med Chem Lett, Volume 19 (11), 2009";ChEMBL
MM476092;MM476092;O=C(COc1ccccc1)Nc1ccc2ncn(Cc3ccc(Cl)c(Cl)c3)c(=O)c2c1;;454.31;4.77;25155343;;;CHEMBL466720;CACO;ECACO;25;0;"from B to A, <a href=https://www.ebi.ac.uk/chembl/assay_report_card/CHEMBL1015825/  target=_blank>CHEMBL1015825</a>";;;;;;;;;-6.15;;;;;;;;;;;;"Koltun DO, Vasilevich NI, Parkhill EQ, Glushkov AI, Zilbershtein TM, Mayboroda EI, Boze MA, Cole AG, Henderson I, Zautke NA, Brunn SA, Chu N, Hao J, Mollova N, Leung K, Chisholm JW, Zablocki J.: Orally bioavailable, liver-selective stearoyl-CoA desaturase (SCD) inhibitors. Bioorg Med Chem Lett, Volume 19 (11), 2009";ChEMBL
MM476093;MM476093;O=C(CO)Nc1cnc2ncn(Cc3ccc(Cl)c(Cl)c3)c(=O)c2c1;;379.2;2.08;44574733;;;CHEMBL467091;CACO;ECACO;25;0;"from B to A, <a href=https://www.ebi.ac.uk/chembl/assay_report_card/CHEMBL1015825/  target=_blank>CHEMBL1015825</a>";;;;;;;;;-4.33;;;;;;;;;;;;"Koltun DO, Vasilevich NI, Parkhill EQ, Glushkov AI, Zilbershtein TM, Mayboroda EI, Boze MA, Cole AG, Henderson I, Zautke NA, Brunn SA, Chu N, Hao J, Mollova N, Leung K, Chisholm JW, Zablocki J.: Orally bioavailable, liver-selective stearoyl-CoA desaturase (SCD) inhibitors. Bioorg Med Chem Lett, Volume 19 (11), 2009";ChEMBL
MM476102;MM476102;CC(C)(C)CCN1C(=O)C(C2=NS(=O)(=O)c3ccccc32)=C(O)C1C(C)(C)C;;404.53;3.68;135428568;;;CHEMBL469457;CACO;ECACO;25;0;"from B to A, <a href=https://www.ebi.ac.uk/chembl/assay_report_card/CHEMBL945417/  target=_blank>CHEMBL945417</a>";;;;;;;;;-4.72;;;;;;;;;;;;"Kim SH, Tran MT, Ruebsam F, Xiang AX, Ayida B, McGuire H, Ellis D, Blazel J, Tran CV, Murphy DE, Webber SE, Zhou Y, Shah AM, Tsan M, Showalter RE, Patel R, Gobbi A, LeBrun LA, Bartkowski DM, Nolan TG, Norris DA, Sergeeva MV, Kirkovsky L, Zhao Q, Han Q, Kissinger CR.: Structure-based design, synthesis, and biological evaluation of 1,1-dioxoisothiazole and benzo[b]thiophene-1,1-dioxide derivatives as novel inhibitors of hepatitis C virus NS5B polymerase. Bioorg Med Chem Lett, Volume 18 (14), 2008";ChEMBL
MM476103;MM476103;CC(C)(C)C1C(O)=C(C2=NS(=O)(=O)c3c(CNS(C)(=O)=O)cccc32)C(=O)N1Cc1ccc(F)c(Cl)c1;;570.06;3.29;135874105;;;CHEMBL469881;CACO;ECACO;25;0;"from B to A, <a href=https://www.ebi.ac.uk/chembl/assay_report_card/CHEMBL945417/  target=_blank>CHEMBL945417</a>";;;;;;;;;-4.82;;;;;;;;;;;;"Kim SH, Tran MT, Ruebsam F, Xiang AX, Ayida B, McGuire H, Ellis D, Blazel J, Tran CV, Murphy DE, Webber SE, Zhou Y, Shah AM, Tsan M, Showalter RE, Patel R, Gobbi A, LeBrun LA, Bartkowski DM, Nolan TG, Norris DA, Sergeeva MV, Kirkovsky L, Zhao Q, Han Q, Kissinger CR.: Structure-based design, synthesis, and biological evaluation of 1,1-dioxoisothiazole and benzo[b]thiophene-1,1-dioxide derivatives as novel inhibitors of hepatitis C virus NS5B polymerase. Bioorg Med Chem Lett, Volume 18 (14), 2008";ChEMBL
Dofetilide;MM16908;CN(CCOc1ccc(NS(C)(=O)=O)cc1)CCc1ccc(NS(C)(=O)=O)cc1;IXTMWRCNAAVVAI-UHFFFAOYSA-N;441.58;1.98;71329;;;CHEMBL473;CACO;ECACO;25;0;"from B to A, <a href=https://www.ebi.ac.uk/chembl/assay_report_card/CHEMBL889310/  target=_blank>CHEMBL889310</a>";;;;;;;;;-4.84;;;;;;;;;;;;"Singleton DH, Boyd H, Steidl-Nichols JV, Deacon M, Groot MJ, Price D, Nettleton DO, Wallace NK, Troutman MD, Williams C, Boyd JG.: Fluorescently labeled analogues of dofetilide as high-affinity fluorescence polarization ligands for the human ether-a-go-go-related gene (hERG) channel. J Med Chem, Volume 50 (13), 2007";ChEMBL
MM475118;MM475118;CCOC(=O)N(Cc1ccccc1-c1ccccc1)C1CCNC1;;324.42;3.67;24962988;;;CHEMBL478834;CACO;ECACO;25;0;"from B to A, <a href=https://www.ebi.ac.uk/chembl/assay_report_card/CHEMBL993586/  target=_blank>CHEMBL993586</a>";;;;;;;;;-4.55;;;;;;;;;;;;"Fish PV, Barta NS, Gray DL, Ryckmans T, Stobie A, Wakenhut F, Whitlock GA.: Derivatives of (3S)-N-(biphenyl-2-ylmethyl)pyrrolidin-3-amine as selective noradrenaline reuptake inhibitors: Reducing P-gp mediated efflux by modulation of H-bond acceptor capacity. Bioorg Med Chem Lett, Volume 18 (15), 2008";ChEMBL
MM473730;MM473730;CCC(CC)C(CO)NS(=O)(=O)c1ccc(Cl)s1;PYZFRRVBPNGCBX-SECBINFHSA-N;311.86;2.48;11358855;;;CHEMBL480558;CACO;ECACO;25;0;"from B to A, <a href=https://www.ebi.ac.uk/chembl/assay_report_card/CHEMBL999316/  target=_blank>CHEMBL999316</a>";;;;;;;;;-4.37;;;;;;;;;;;;"Mayer SC, Kreft AF, Harrison B, Abou-Gharbia M, Antane M, Aschmies S, Atchison K, Chlenov M, Cole DC, Comery T, Diamantidis G, Ellingboe J, Fan K, Galante R, Gonzales C, Ho DM, Hoke ME, Hu Y, Huryn D, Jain U, Jin M, Kremer K, Kubrak D, Lin M, Lu P, Magolda R, Martone R, Moore W, Oganesian A, Pangalos MN, Porte A, Reinhart P, Resnick L, Riddell DR, Sonnenberg-Reines J, Stock JR, Sun SC, Wagner E, Wang T, Woller K, Xu Z, Zaleska MM, Zeldis J, Zhang M, Zhou H, Jacobsen JS.: Discovery of begacestat, a Notch-1-sparing gamma-secretase inhibitor for the treatment of Alzheimer's disease. J Med Chem, Volume 51 (23), 2008";ChEMBL
MM473730;MM473730;CCC(CC)C(CO)NS(=O)(=O)c1ccc(Cl)s1;PYZFRRVBPNGCBX-SECBINFHSA-N;311.86;2.48;11358855;;;CHEMBL480558;CACO;ECACO;25;0;"from B to A, <a href=https://www.ebi.ac.uk/chembl/assay_report_card/CHEMBL1111685/  target=_blank>CHEMBL1111685</a>";;;;;;;;;-4.38;;;;;;;;;;;;"Kreft AF, Martone R, Porte A.: Recent advances in the identification of gamma-secretase inhibitors to clinically test the Abeta oligomer hypothesis of Alzheimer's disease. J Med Chem, Volume 52 (20), 2009";ChEMBL
MM476133;MM476133;CC(CC(=O)O)Nc1nccc(-c2cn[nH]c2-c2ccc(Cl)cc2)n1;;357.8;3.46;44591702;;;CHEMBL484341;CACO;ECACO;25;0;"from B to A, <a href=https://www.ebi.ac.uk/chembl/assay_report_card/CHEMBL985006/  target=_blank>CHEMBL985006</a>";;;;;;;;;-4.88;;;;;;;;;;;;"Humphries PS, Lafontaine JA, Agree CS, Alexander D, Chen P, Do QQ, Li LY, Lunney EA, Rajapakse RJ, Siegel K, Timofeevski SL, Wang T, Wilhite DM.: Synthesis and SAR of 4-substituted-2-aminopyrimidines as novel c-Jun N-terminal kinase (JNK) inhibitors. Bioorg Med Chem Lett, Volume 19 (8), 2009";ChEMBL
MM476137;MM476137;CCC(C)CN1C(=O)c2ccccc2C(C(=O)O)C1c1cc2ccccc2o1;;377.44;4.84;44244518;;;CHEMBL485328;CACO;ECACO;25;0;"from B to A, <a href=https://www.ebi.ac.uk/chembl/assay_report_card/CHEMBL994689/  target=_blank>CHEMBL994689</a>";;;;;;;;;-4.73;;;;;;;;;;;;"Humphries PS, Benbow JW, Bonin PD, Boyer D, Doran SD, Frisbie RK, Piotrowski DW, Balan G, Bechle BM, Conn EL, Dirico KJ, Oliver RM, Soeller WC, Southers JA, Yang X.: Synthesis and SAR of 1,2,3,4-tetrahydroisoquinolin-1-ones as novel G-protein-coupled receptor 40 (GPR40) antagonists. Bioorg Med Chem Lett, Volume 19 (9), 2009";ChEMBL
MM476148;MM476148;CN1CCCN(c2cncc(-c3cccc(C=CC(=O)O)c3)n2)CC1;;338.41;2.38;24811794;;;CHEMBL493937;CACO;ECACO;25;0;"from B to A, <a href=https://www.ebi.ac.uk/chembl/assay_report_card/CHEMBL960100/  target=_blank>CHEMBL960100</a>";;;;;;;;;-5.52;;;;;;;;;;;;"Qian K, Wang L, Cywin CL, Farmer BT, Hickey E, Homon C, Jakes S, Kashem MA, Lee G, Leonard S, Li J, Magboo R, Mao W, Pack E, Peng C, Prokopowicz A, Welzel M, Wolak J, Morwick T.: Hit to lead account of the discovery of a new class of inhibitors of Pim kinases and crystallographic studies revealing an unusual kinase binding mode. J Med Chem, Volume 52 (7), 2009";ChEMBL
MM476151;MM476151;Cc1ccc(C(=O)NC2CC2)cc1-c1ccc2c(NCCN3CCOCC3)nncc2c1;;431.54;3.24;25129829;;;CHEMBL494270;CACO;ECACO;25;0;"from B to A, <a href=https://www.ebi.ac.uk/chembl/assay_report_card/CHEMBL1025677/  target=_blank>CHEMBL1025677</a>";;;;;;;;;-4.51;;;;;;;;;;;;"Herberich B, Cao GQ, Chakrabarti PP, Falsey JR, Pettus L, Rzasa RM, Reed AB, Reichelt A, Sham K, Thaman M, Wurz RP, Xu S, Zhang D, Hsieh F, Lee MR, Syed R, Li V, Grosfeld D, Plant MH, Henkle B, Sherman L, Middleton S, Wong LM, Tasker AS.: Discovery of highly selective and potent p38 inhibitors based on a phthalazine scaffold. J Med Chem, Volume 51 (20), 2008";ChEMBL
MM476152;MM476152;Cc1ccc(C(=O)NC2CC2)cc1-c1ccc2c(N3CCOCC3)nncc2c1;;388.47;3.33;25129830;;;CHEMBL494272;CACO;ECACO;25;0;"from B to A, <a href=https://www.ebi.ac.uk/chembl/assay_report_card/CHEMBL1025677/  target=_blank>CHEMBL1025677</a>";;;;;;;;;-4.4;;;;;;;;;;;;"Herberich B, Cao GQ, Chakrabarti PP, Falsey JR, Pettus L, Rzasa RM, Reed AB, Reichelt A, Sham K, Thaman M, Wurz RP, Xu S, Zhang D, Hsieh F, Lee MR, Syed R, Li V, Grosfeld D, Plant MH, Henkle B, Sherman L, Middleton S, Wong LM, Tasker AS.: Discovery of highly selective and potent p38 inhibitors based on a phthalazine scaffold. J Med Chem, Volume 51 (20), 2008";ChEMBL
MM476158;MM476158;Cc1cc(Cn2c(=O)c(C3=CS(=O)(=O)c4ccccc4N3)c(O)c3cc(F)ccc32)ccc1F;;480.49;4.54;54735545;;;CHEMBL496600;CACO;ECACO;25;0;"from B to A, <a href=https://www.ebi.ac.uk/chembl/assay_report_card/CHEMBL1008283/  target=_blank>CHEMBL1008283</a>";;;;;;;;;-5.28;;;;;;;;;;;;"Hendricks RT, Fell JB, Blake JF, Fischer JP, Robinson JE, Spencer SR, Stengel PJ, Bernacki AL, Leveque VJ, Le Pogam S, Rajyaguru S, Najera I, Josey JA, Harris JR, Swallow S.: Non-nucleoside inhibitors of HCV NS5B polymerase. Part 1: Synthetic and computational exploration of the binding modes of benzothiadiazine and 1,4-benzothiazine HCV NS5b polymerase inhibitors. Bioorg Med Chem Lett, Volume 19 (13), 2009";ChEMBL
MM476162;MM476162;O=c1c(C2=CS(=O)(=O)c3ccccc3N2)c(O)c2cc(F)ccc2n1Cc1ccc(F)cc1;;466.47;4.23;54735542;;;CHEMBL497206;CACO;ECACO;25;0;"from B to A, <a href=https://www.ebi.ac.uk/chembl/assay_report_card/CHEMBL1008283/  target=_blank>CHEMBL1008283</a>";;;;;;;;;-5.31;;;;;;;;;;;;"Hendricks RT, Fell JB, Blake JF, Fischer JP, Robinson JE, Spencer SR, Stengel PJ, Bernacki AL, Leveque VJ, Le Pogam S, Rajyaguru S, Najera I, Josey JA, Harris JR, Swallow S.: Non-nucleoside inhibitors of HCV NS5B polymerase. Part 1: Synthetic and computational exploration of the binding modes of benzothiadiazine and 1,4-benzothiazine HCV NS5b polymerase inhibitors. Bioorg Med Chem Lett, Volume 19 (13), 2009";ChEMBL
MM476166;MM476166;O=c1c(C2=CS(=O)(=O)c3ccccc3N2)c(O)c2cc(F)ccc2n1CCC1CC1;;426.47;3.84;54735533;;;CHEMBL497422;CACO;ECACO;25;0;"from B to A, <a href=https://www.ebi.ac.uk/chembl/assay_report_card/CHEMBL1008283/  target=_blank>CHEMBL1008283</a>";;;;;;;;;-5.15;;;;;;;;;;;;"Hendricks RT, Fell JB, Blake JF, Fischer JP, Robinson JE, Spencer SR, Stengel PJ, Bernacki AL, Leveque VJ, Le Pogam S, Rajyaguru S, Najera I, Josey JA, Harris JR, Swallow S.: Non-nucleoside inhibitors of HCV NS5B polymerase. Part 1: Synthetic and computational exploration of the binding modes of benzothiadiazine and 1,4-benzothiazine HCV NS5b polymerase inhibitors. Bioorg Med Chem Lett, Volume 19 (13), 2009";ChEMBL
MM476209;MM476209;O=C(CO)Nc1ccc2c(=O)n(Cc3ccc(Cl)c(Cl)c3)cnc2c1;;378.22;2.68;25158717;;;CHEMBL512969;CACO;ECACO;25;0;"from B to A, <a href=https://www.ebi.ac.uk/chembl/assay_report_card/CHEMBL1015825/  target=_blank>CHEMBL1015825</a>";;;;;;;;;-4.39;;;;;;;;;;;;"Koltun DO, Vasilevich NI, Parkhill EQ, Glushkov AI, Zilbershtein TM, Mayboroda EI, Boze MA, Cole AG, Henderson I, Zautke NA, Brunn SA, Chu N, Hao J, Mollova N, Leung K, Chisholm JW, Zablocki J.: Orally bioavailable, liver-selective stearoyl-CoA desaturase (SCD) inhibitors. Bioorg Med Chem Lett, Volume 19 (11), 2009";ChEMBL
MM476232;MM476232;CN(Cc1cccc2c1S(=O)(=O)N=C2C1=C(O)C(C(C)(C)C)N(Cc2ccc(F)c(Cl)c2)C1=O)S(C)(=O)=O;;584.09;3.63;135874106;;;CHEMBL528770;CACO;ECACO;25;0;"from B to A, <a href=https://www.ebi.ac.uk/chembl/assay_report_card/CHEMBL945417/  target=_blank>CHEMBL945417</a>";;;;;;;;;-4.54;;;;;;;;;;;;"Kim SH, Tran MT, Ruebsam F, Xiang AX, Ayida B, McGuire H, Ellis D, Blazel J, Tran CV, Murphy DE, Webber SE, Zhou Y, Shah AM, Tsan M, Showalter RE, Patel R, Gobbi A, LeBrun LA, Bartkowski DM, Nolan TG, Norris DA, Sergeeva MV, Kirkovsky L, Zhao Q, Han Q, Kissinger CR.: Structure-based design, synthesis, and biological evaluation of 1,1-dioxoisothiazole and benzo[b]thiophene-1,1-dioxide derivatives as novel inhibitors of hepatitis C virus NS5B polymerase. Bioorg Med Chem Lett, Volume 18 (14), 2008";ChEMBL
1-Cyclohexyl-4-[3-(5-methoxy-1,2,3,4-tetrahydronaphthalen-1-yl)propyl]piperazine;MM18286;COc1cccc2c1CCCC2CCCN1CCN(C2CCCCC2)CC1;PHRCDWVPTULQMT-UHFFFAOYSA-N;370.58;4.85;10474335;;;CHEMBL53325;CACO;ECACO;25;0;"from B to A, <a href=https://www.ebi.ac.uk/chembl/assay_report_card/CHEMBL921231/  target=_blank>CHEMBL921231</a>";;;;;;;;;-3.36;;;;;;;;;;;;"Colabufo NA, Berardi F, Cantore M, Perrone MG, Contino M, Inglese C, Niso M, Perrone R, Azzariti A, Simone GM, Porcelli L, Paradiso A.: Small P-gp modulating molecules: SAR studies on tetrahydroisoquinoline derivatives. Bioorg Med Chem, Volume 16 (1), 2008";ChEMBL
MM476248;MM476248;CN(CC1CCCN1C(=O)CC(N)Cc1cc(F)c(F)cc1F)C(=O)C(C)(C)C;;413.48;2.86;45271813;;;CHEMBL550321;CACO;ECACO;25;0;"from B to A, <a href=https://www.ebi.ac.uk/chembl/assay_report_card/CHEMBL1060844/  target=_blank>CHEMBL1060844</a>";;;;;;;;;-4.19;;;;;;;;;;;;"Nordhoff S, López-Canet M, Hoffmann-Enger B, Bulat S, Cerezo-Gálvez S, Hill O, Rosenbaum C, Rummey C, Thiemann M, Matassa VG, Edwards PJ, Feurer A.: From lead to preclinical candidate: optimization of beta-homophenylalanine based inhibitors of dipeptidyl peptidase IV. Bioorg Med Chem Lett, Volume 19 (16), 2009";ChEMBL
MM476258;MM476258;NC(CC(=O)N1CCCC1CNC(=O)C1(C(F)(F)F)CC1)Cc1cc(F)c(F)cc1F;;451.41;2.81;45270958;;;CHEMBL552069;CACO;ECACO;25;0;"from B to A, <a href=https://www.ebi.ac.uk/chembl/assay_report_card/CHEMBL1060844/  target=_blank>CHEMBL1060844</a>";;;;;;;;;-4.23;;;;;;;;;;;;"Nordhoff S, López-Canet M, Hoffmann-Enger B, Bulat S, Cerezo-Gálvez S, Hill O, Rosenbaum C, Rummey C, Thiemann M, Matassa VG, Edwards PJ, Feurer A.: From lead to preclinical candidate: optimization of beta-homophenylalanine based inhibitors of dipeptidyl peptidase IV. Bioorg Med Chem Lett, Volume 19 (16), 2009";ChEMBL
MM476259;MM476259;CN(CC1CCCN1C(=O)CC(N)Cc1cc(F)c(F)cc1F)c1ccc(C#N)cn1;;431.46;2.76;45271791;;;CHEMBL552127;CACO;ECACO;25;0;"from B to A, <a href=https://www.ebi.ac.uk/chembl/assay_report_card/CHEMBL1060844/  target=_blank>CHEMBL1060844</a>";;;;;;;;;-4.24;;;;;;;;;;;;"Nordhoff S, López-Canet M, Hoffmann-Enger B, Bulat S, Cerezo-Gálvez S, Hill O, Rosenbaum C, Rummey C, Thiemann M, Matassa VG, Edwards PJ, Feurer A.: From lead to preclinical candidate: optimization of beta-homophenylalanine based inhibitors of dipeptidyl peptidase IV. Bioorg Med Chem Lett, Volume 19 (16), 2009";ChEMBL
MM474839;MM474839;O=C(c1ccccc1C(F)(F)F)N(CC1CCC1)[C@H]1CCNC1;;326.36;3.31;;;;CHEMBL552338;CACO;ECACO;25;0;"from B to A, <a href=https://www.ebi.ac.uk/chembl/assay_report_card/CHEMBL1062506/  target=_blank>CHEMBL1062506</a>";;;;;;;;;-4.48;;;;;;;;;;;;"Fish PV, Wakenhut F, Ryckmans T, Stobie A.: Design, synthesis and evaluation of N-[(3S)-pyrrolidin-3-yl]benzamides as selective noradrenaline reuptake inhibitors: CNS penetration in a more polar template. Bioorg Med Chem Lett, Volume 19 (16), 2009";ChEMBL
MM476261;MM476261;NS(=O)(=O)c1cccc(CN(c2ccc3[nH]ccc3c2)C2CCNCC2)c1;;384.51;2.57;44466345;;;CHEMBL552341;CACO;ECACO;25;0;"from B to A, <a href=https://www.ebi.ac.uk/chembl/assay_report_card/CHEMBL1051053/  target=_blank>CHEMBL1051053</a>";;;;;;;;;-5.52;;;;;;;;;;;;"Lucas MC, Carter DS, Cai HY, Lee EK, Schoenfeld RC, Steiner S, Villa M, Weikert RJ, Iyer PS.: Novel, achiral aminoheterocycles as selective monoamine reuptake inhibitors. Bioorg Med Chem Lett, Volume 19 (16), 2009";ChEMBL
MM476263;MM476263;Cn1ccc2cc(N(Cc3ccccc3)C3CCNCC3)ccc21;;319.45;3.94;44467177;;;CHEMBL552938;CACO;ECACO;25;0;"from B to A, <a href=https://www.ebi.ac.uk/chembl/assay_report_card/CHEMBL1051053/  target=_blank>CHEMBL1051053</a>";;;;;;;;;-5.4;;;;;;;;;;;;"Lucas MC, Carter DS, Cai HY, Lee EK, Schoenfeld RC, Steiner S, Villa M, Weikert RJ, Iyer PS.: Novel, achiral aminoheterocycles as selective monoamine reuptake inhibitors. Bioorg Med Chem Lett, Volume 19 (16), 2009";ChEMBL
MM476272;MM476272;c1ccc(CN(c2ccc3sccc3c2)C2CCNCC2)cc1;;322.48;4.66;44467960;;;CHEMBL556714;CACO;ECACO;25;0;"from B to A, <a href=https://www.ebi.ac.uk/chembl/assay_report_card/CHEMBL1051053/  target=_blank>CHEMBL1051053</a>";;;;;;;;;-7;;;;;;;;;;;;"Lucas MC, Carter DS, Cai HY, Lee EK, Schoenfeld RC, Steiner S, Villa M, Weikert RJ, Iyer PS.: Novel, achiral aminoheterocycles as selective monoamine reuptake inhibitors. Bioorg Med Chem Lett, Volume 19 (16), 2009";ChEMBL
MM472524;MM472524;COc1cccc(C(=O)NN(C(=O)c2cc(C)cc(C)c2)C(C)(C)C)c1C;;368.48;4.21;;;;CHEMBL55772;CACO;ECACO;25;0;"from B to A, <a href=https://www.ebi.ac.uk/chembl/assay_report_card/CHEMBL905617/  target=_blank>CHEMBL905617</a>";;;;;;;;;-4.38;;;;;;;;;;;;"Fujikawa M, Nakao K, Shimizu R, Akamatsu M.: QSAR study on permeability of hydrophobic compounds with artificial membranes. Bioorg Med Chem, Volume 15 (11), 3756-3767, 2007";ChEMBL
MM476275;MM476275;CC(C)(C)C(=O)NCC1CCCN1C(=O)CC(N)Cc1cc(F)c(F)cc1F;;399.46;2.52;45273602;;;CHEMBL558322;CACO;ECACO;25;0;"from B to A, <a href=https://www.ebi.ac.uk/chembl/assay_report_card/CHEMBL1060844/  target=_blank>CHEMBL1060844</a>";;;;;;;;;-4.3;;;;;;;;;;;;"Nordhoff S, López-Canet M, Hoffmann-Enger B, Bulat S, Cerezo-Gálvez S, Hill O, Rosenbaum C, Rummey C, Thiemann M, Matassa VG, Edwards PJ, Feurer A.: From lead to preclinical candidate: optimization of beta-homophenylalanine based inhibitors of dipeptidyl peptidase IV. Bioorg Med Chem Lett, Volume 19 (16), 2009";ChEMBL
MM476276;MM476276;CC(C)(F)C(=O)NCC1CCCN1C(=O)CC(N)Cc1cc(F)c(F)cc1F;;403.42;2.22;45101722;;;CHEMBL558323;CACO;ECACO;25;0;"from B to A, <a href=https://www.ebi.ac.uk/chembl/assay_report_card/CHEMBL1060844/  target=_blank>CHEMBL1060844</a>";;;;;;;;;-4.21;;;;;;;;;;;;"Nordhoff S, López-Canet M, Hoffmann-Enger B, Bulat S, Cerezo-Gálvez S, Hill O, Rosenbaum C, Rummey C, Thiemann M, Matassa VG, Edwards PJ, Feurer A.: From lead to preclinical candidate: optimization of beta-homophenylalanine based inhibitors of dipeptidyl peptidase IV. Bioorg Med Chem Lett, Volume 19 (16), 2009";ChEMBL
MM476277;MM476277;CN(CC1CCCN1C(=O)CC(N)Cc1cc(F)c(F)cc1F)S(=O)(=O)C(F)(F)F;;461.43;2.14;45272682;;;CHEMBL558452;CACO;ECACO;25;0;"from B to A, <a href=https://www.ebi.ac.uk/chembl/assay_report_card/CHEMBL1060844/  target=_blank>CHEMBL1060844</a>";;;;;;;;;-4.46;;;;;;;;;;;;"Nordhoff S, López-Canet M, Hoffmann-Enger B, Bulat S, Cerezo-Gálvez S, Hill O, Rosenbaum C, Rummey C, Thiemann M, Matassa VG, Edwards PJ, Feurer A.: From lead to preclinical candidate: optimization of beta-homophenylalanine based inhibitors of dipeptidyl peptidase IV. Bioorg Med Chem Lett, Volume 19 (16), 2009";ChEMBL
MM476283;MM476283;CS(=O)(=O)NCC1CCCN1C(=O)CC(N)Cc1cc(F)c(F)cc1F;;393.43;0.9;45268436;;;CHEMBL559543;CACO;ECACO;25;0;"from B to A, <a href=https://www.ebi.ac.uk/chembl/assay_report_card/CHEMBL1060844/  target=_blank>CHEMBL1060844</a>";;;;;;;;;-4.77;;;;;;;;;;;;"Nordhoff S, López-Canet M, Hoffmann-Enger B, Bulat S, Cerezo-Gálvez S, Hill O, Rosenbaum C, Rummey C, Thiemann M, Matassa VG, Edwards PJ, Feurer A.: From lead to preclinical candidate: optimization of beta-homophenylalanine based inhibitors of dipeptidyl peptidase IV. Bioorg Med Chem Lett, Volume 19 (16), 2009";ChEMBL
MM476292;MM476292;c1ccc(CN(c2ccc3[nH]ccc3c2)C2CCNCC2)cc1;;305.43;3.93;44467957;;;CHEMBL560535;CACO;ECACO;25;0;"from B to A, <a href=https://www.ebi.ac.uk/chembl/assay_report_card/CHEMBL1051053/  target=_blank>CHEMBL1051053</a>";;;;;;;;;-5.22;;;;;;;;;;;;"Lucas MC, Carter DS, Cai HY, Lee EK, Schoenfeld RC, Steiner S, Villa M, Weikert RJ, Iyer PS.: Novel, achiral aminoheterocycles as selective monoamine reuptake inhibitors. Bioorg Med Chem Lett, Volume 19 (16), 2009";ChEMBL
MM476306;MM476306;N#Cc1ccc(NCC2CCCN2C(=O)CC(N)Cc2cc(F)c(F)cc2F)nc1;;417.44;2.73;45273573;;;CHEMBL563244;CACO;ECACO;25;0;"from B to A, <a href=https://www.ebi.ac.uk/chembl/assay_report_card/CHEMBL1060844/  target=_blank>CHEMBL1060844</a>";;;;;;;;;-4.21;;;;;;;;;;;;"Nordhoff S, López-Canet M, Hoffmann-Enger B, Bulat S, Cerezo-Gálvez S, Hill O, Rosenbaum C, Rummey C, Thiemann M, Matassa VG, Edwards PJ, Feurer A.: From lead to preclinical candidate: optimization of beta-homophenylalanine based inhibitors of dipeptidyl peptidase IV. Bioorg Med Chem Lett, Volume 19 (16), 2009";ChEMBL
MM476312;MM476312;NC(CC(=O)N1CCCC1CNC(=O)C1CC1)Cc1cc(F)c(F)cc1F;;383.41;1.88;44250174;;;CHEMBL563648;CACO;ECACO;25;0;"from B to A, <a href=https://www.ebi.ac.uk/chembl/assay_report_card/CHEMBL1060844/  target=_blank>CHEMBL1060844</a>";;;;;;;;;-4.34;;;;;;;;;;;;"Nordhoff S, López-Canet M, Hoffmann-Enger B, Bulat S, Cerezo-Gálvez S, Hill O, Rosenbaum C, Rummey C, Thiemann M, Matassa VG, Edwards PJ, Feurer A.: From lead to preclinical candidate: optimization of beta-homophenylalanine based inhibitors of dipeptidyl peptidase IV. Bioorg Med Chem Lett, Volume 19 (16), 2009";ChEMBL
MM476313;MM476313;N#Cc1ccc(OCC2CCCN2C(=O)CC(N)Cc2cc(F)c(F)cc2F)nc1;;418.42;2.7;45268417;;;CHEMBL563849;CACO;ECACO;25;0;"from B to A, <a href=https://www.ebi.ac.uk/chembl/assay_report_card/CHEMBL1060844/  target=_blank>CHEMBL1060844</a>";;;;;;;;;-4.38;;;;;;;;;;;;"Nordhoff S, López-Canet M, Hoffmann-Enger B, Bulat S, Cerezo-Gálvez S, Hill O, Rosenbaum C, Rummey C, Thiemann M, Matassa VG, Edwards PJ, Feurer A.: From lead to preclinical candidate: optimization of beta-homophenylalanine based inhibitors of dipeptidyl peptidase IV. Bioorg Med Chem Lett, Volume 19 (16), 2009";ChEMBL
MM476317;MM476317;NC(CC(=O)N1CCCC1CNS(=O)(=O)C(F)(F)F)Cc1cc(F)c(F)cc1F;;447.4;1.79;45269275;;;CHEMBL564283;CACO;ECACO;25;0;"from B to A, <a href=https://www.ebi.ac.uk/chembl/assay_report_card/CHEMBL1060844/  target=_blank>CHEMBL1060844</a>";;;;;;;;;-4.28;;;;;;;;;;;;"Nordhoff S, López-Canet M, Hoffmann-Enger B, Bulat S, Cerezo-Gálvez S, Hill O, Rosenbaum C, Rummey C, Thiemann M, Matassa VG, Edwards PJ, Feurer A.: From lead to preclinical candidate: optimization of beta-homophenylalanine based inhibitors of dipeptidyl peptidase IV. Bioorg Med Chem Lett, Volume 19 (16), 2009";ChEMBL
MM476321;MM476321;N#Cc1ccnc(OCC2CCCN2C(=O)CC(N)Cc2cc(F)c(F)cc2F)c1;;418.42;2.7;45272664;;;CHEMBL565101;CACO;ECACO;25;0;"from B to A, <a href=https://www.ebi.ac.uk/chembl/assay_report_card/CHEMBL1060844/  target=_blank>CHEMBL1060844</a>";;;;;;;;;-4.44;;;;;;;;;;;;"Nordhoff S, López-Canet M, Hoffmann-Enger B, Bulat S, Cerezo-Gálvez S, Hill O, Rosenbaum C, Rummey C, Thiemann M, Matassa VG, Edwards PJ, Feurer A.: From lead to preclinical candidate: optimization of beta-homophenylalanine based inhibitors of dipeptidyl peptidase IV. Bioorg Med Chem Lett, Volume 19 (16), 2009";ChEMBL
MM476323;MM476323;O=C(NC(Cc1ccc(F)c(Br)c1)C(=O)O)c1ccc(Cl)cc1NS(=O)(=O)c1cccc2nsnc12;;613.87;4.47;45486935;;;CHEMBL565298;CACO;ECACO;25;0;"from B to A, <a href=https://www.ebi.ac.uk/chembl/assay_report_card/CHEMBL1045222/  target=_blank>CHEMBL1045222</a>";;;;;;;;;-5.9;;;;;;;;;;;;"Pippel M, Boyce K, Venkatesan H, Phuong VK, Yan W, Barrett TD, Lagaud G, Li L, Morton MF, Prendergast C, Wu X, Shankley NP, Rabinowitz MH.: Anthranilic sulfonamide CCK1/CCK2 dual receptor antagonists II: tuning of receptor selectivity and in vivo efficacy. Bioorg Med Chem Lett, Volume 19 (22), 2009";ChEMBL
MM476324;MM476324;O=C(NC(Cc1ccc(F)c(Br)c1)C(=O)O)c1cc(Cl)c(Cl)cc1NS(=O)(=O)c1cccc2nsnc12;;648.32;5.13;45102806;;;CHEMBL565324;CACO;ECACO;25;0;"from B to A, <a href=https://www.ebi.ac.uk/chembl/assay_report_card/CHEMBL1045222/  target=_blank>CHEMBL1045222</a>";;;;;;;;;-6.43;;;;;;;;;;;;"Pippel M, Boyce K, Venkatesan H, Phuong VK, Yan W, Barrett TD, Lagaud G, Li L, Morton MF, Prendergast C, Wu X, Shankley NP, Rabinowitz MH.: Anthranilic sulfonamide CCK1/CCK2 dual receptor antagonists II: tuning of receptor selectivity and in vivo efficacy. Bioorg Med Chem Lett, Volume 19 (22), 2009";ChEMBL
MM476326;MM476326;CC(C)(C)c1noc(C2CCCN2C(=O)CC(N)Cc2cc(F)c(F)cc2F)n1;;410.44;3.41;45487888;;;CHEMBL565633;CACO;ECACO;25;0;"from B to A, <a href=https://www.ebi.ac.uk/chembl/assay_report_card/CHEMBL1039017/  target=_blank>CHEMBL1039017</a>";;;;;;;;;-4.31;;;;;;;;;;;;"Nordhoff S, Bulat S, Cerezo-Gálvez S, Hill O, Hoffmann-Enger B, López-Canet M, Rosenbaum C, Rummey C, Thiemann M, Matassa VG, Edwards PJ, Feurer A.: The design of potent and selective inhibitors of DPP-4: optimization of ADME properties by amide replacements. Bioorg Med Chem Lett, Volume 19 (22), 2009";ChEMBL
MM476327;MM476327;CS(=O)(=O)N1CC(c2noc(C3CCCN3C(=O)CC(N)Cc3cc(F)c(F)cc3F)n2)C1;;487.5;1.47;45487920;;;CHEMBL566425;CACO;ECACO;25;0;"from B to A, <a href=https://www.ebi.ac.uk/chembl/assay_report_card/CHEMBL1039017/  target=_blank>CHEMBL1039017</a>";;;;;;;;;-4.55;;;;;;;;;;;;"Nordhoff S, Bulat S, Cerezo-Gálvez S, Hill O, Hoffmann-Enger B, López-Canet M, Rosenbaum C, Rummey C, Thiemann M, Matassa VG, Edwards PJ, Feurer A.: The design of potent and selective inhibitors of DPP-4: optimization of ADME properties by amide replacements. Bioorg Med Chem Lett, Volume 19 (22), 2009";ChEMBL
MM476328;MM476328;O=C(NC(Cc1ccc(F)c(Br)c1)C(=O)O)c1cc(Cl)c(Cl)cc1NS(=O)(=O)c1cccc2nccnc12;;642.29;5.06;45486936;;;CHEMBL566574;CACO;ECACO;25;0;"from B to A, <a href=https://www.ebi.ac.uk/chembl/assay_report_card/CHEMBL1045222/  target=_blank>CHEMBL1045222</a>";;;;;;;;;-5.98;;;;;;;;;;;;"Pippel M, Boyce K, Venkatesan H, Phuong VK, Yan W, Barrett TD, Lagaud G, Li L, Morton MF, Prendergast C, Wu X, Shankley NP, Rabinowitz MH.: Anthranilic sulfonamide CCK1/CCK2 dual receptor antagonists II: tuning of receptor selectivity and in vivo efficacy. Bioorg Med Chem Lett, Volume 19 (22), 2009";ChEMBL
MM476329;MM476329;NC(CC(=O)N1CCCC1c1nc(-c2ncc(F)cc2F)no1)Cc1cc(F)c(F)cc1F;;467.4;3.45;45101723;;;CHEMBL566829;CACO;ECACO;25;0;"from B to A, <a href=https://www.ebi.ac.uk/chembl/assay_report_card/CHEMBL1039017/  target=_blank>CHEMBL1039017</a>";;;;;;;;;-4.14;;;;;;;;;;;;"Nordhoff S, Bulat S, Cerezo-Gálvez S, Hill O, Hoffmann-Enger B, López-Canet M, Rosenbaum C, Rummey C, Thiemann M, Matassa VG, Edwards PJ, Feurer A.: The design of potent and selective inhibitors of DPP-4: optimization of ADME properties by amide replacements. Bioorg Med Chem Lett, Volume 19 (22), 2009";ChEMBL
MM476331;MM476331;NC(CC(=O)N1CCCC1c1nc(C2CC2)no1)Cc1cc(F)c(F)cc1F;;394.4;2.99;45487930;;;CHEMBL567278;CACO;ECACO;25;0;"from B to A, <a href=https://www.ebi.ac.uk/chembl/assay_report_card/CHEMBL1039017/  target=_blank>CHEMBL1039017</a>";;;;;;;;;-4.28;;;;;;;;;;;;"Nordhoff S, Bulat S, Cerezo-Gálvez S, Hill O, Hoffmann-Enger B, López-Canet M, Rosenbaum C, Rummey C, Thiemann M, Matassa VG, Edwards PJ, Feurer A.: The design of potent and selective inhibitors of DPP-4: optimization of ADME properties by amide replacements. Bioorg Med Chem Lett, Volume 19 (22), 2009";ChEMBL
MM476334;MM476334;CC(C)(F)c1nc(C2CCCN2C(=O)CC(N)Cc2cc(F)c(F)cc2F)no1;;414.4;3.32;45102670;;;CHEMBL567728;CACO;ECACO;25;0;"from B to A, <a href=https://www.ebi.ac.uk/chembl/assay_report_card/CHEMBL1039017/  target=_blank>CHEMBL1039017</a>";;;;;;;;;-4.21;;;;;;;;;;;;"Nordhoff S, Bulat S, Cerezo-Gálvez S, Hill O, Hoffmann-Enger B, López-Canet M, Rosenbaum C, Rummey C, Thiemann M, Matassa VG, Edwards PJ, Feurer A.: The design of potent and selective inhibitors of DPP-4: optimization of ADME properties by amide replacements. Bioorg Med Chem Lett, Volume 19 (22), 2009";ChEMBL
MM476336;MM476336;O=C(NC(Cc1ccc(F)c(Br)c1)C(=O)O)c1ccc(Cl)cc1NS(=O)(=O)c1cccc2nccnc12;;607.85;4.41;45486964;;;CHEMBL569391;CACO;ECACO;25;0;"from B to A, <a href=https://www.ebi.ac.uk/chembl/assay_report_card/CHEMBL1045222/  target=_blank>CHEMBL1045222</a>";;;;;;;;;-5.32;;;;;;;;;;;;"Pippel M, Boyce K, Venkatesan H, Phuong VK, Yan W, Barrett TD, Lagaud G, Li L, Morton MF, Prendergast C, Wu X, Shankley NP, Rabinowitz MH.: Anthranilic sulfonamide CCK1/CCK2 dual receptor antagonists II: tuning of receptor selectivity and in vivo efficacy. Bioorg Med Chem Lett, Volume 19 (22), 2009";ChEMBL
MM476337;MM476337;N#Cc1c(-c2ccc(-c3no[n+]([O-])c3C#N)s2)no[n+]1[O-];;302.23;0.07;;;;CHEMBL569420;CACO;ECACO;25;+2,-2;"from B to A, <a href=https://www.ebi.ac.uk/chembl/assay_report_card/CHEMBL1050862/  target=_blank>CHEMBL1050862</a>";;;;;;;;;-5.74;;;;;;;;;;;;"Rai G, Sayed AA, Lea WA, Luecke HF, Chakrapani H, Prast-Nielsen S, Jadhav A, Leister W, Shen M, Inglese J, Austin CP, Keefer L, Arnér ES, Simeonov A, Maloney DJ, Williams DL, Thomas CJ.: Structure mechanism insights and the role of nitric oxide donation guide the development of oxadiazole-2-oxides as therapeutic agents against schistosomiasis. J Med Chem, Volume 52 (20), 2009";ChEMBL
MM476338;MM476338;O=C(Cc1cccc2ccccc12)Nc1cn(C2CC(NC(=O)c3ccccn3)C2)cn1;;425.49;3.75;10224259;;;CHEMBL569587;CACO;ECACO;25;0;"from B to A, <a href=https://www.ebi.ac.uk/chembl/assay_report_card/CHEMBL1048148/  target=_blank>CHEMBL1048148</a>";;;;;;;;;-4.68;;;;;;;;;;;;"Helal CJ, Kang Z, Lucas JC, Gant T, Ahlijanian MK, Schachter JB, Richter KE, Cook JM, Menniti FS, Kelly K, Mente S, Pandit J, Hosea N.: Potent and cellularly active 4-aminoimidazole inhibitors of cyclin-dependent kinase 5/p25 for the treatment of Alzheimer's disease. Bioorg Med Chem Lett, Volume 19 (19), 2009";ChEMBL
MM476343;MM476343;N#Cc1c(-c2cc(F)cc(-c3no[n+]([O-])c3C#N)c2)no[n+]1[O-];;314.19;0.15;;;;CHEMBL570121;CACO;ECACO;25;+2,-2;"from B to A, <a href=https://www.ebi.ac.uk/chembl/assay_report_card/CHEMBL1050862/  target=_blank>CHEMBL1050862</a>";;;;;;;;;-5.57;;;;;;;;;;;;"Rai G, Sayed AA, Lea WA, Luecke HF, Chakrapani H, Prast-Nielsen S, Jadhav A, Leister W, Shen M, Inglese J, Austin CP, Keefer L, Arnér ES, Simeonov A, Maloney DJ, Williams DL, Thomas CJ.: Structure mechanism insights and the role of nitric oxide donation guide the development of oxadiazole-2-oxides as therapeutic agents against schistosomiasis. J Med Chem, Volume 52 (20), 2009";ChEMBL
MM476344;MM476344;N#Cc1cccc(CN(c2ccc3[nH]ccc3c2)C2CCNCC2)c1;;330.44;3.8;44466344;;;CHEMBL570317;CACO;ECACO;25;0;"from B to A, <a href=https://www.ebi.ac.uk/chembl/assay_report_card/CHEMBL1051053/  target=_blank>CHEMBL1051053</a>";;;;;;;;;-4.85;;;;;;;;;;;;"Lucas MC, Carter DS, Cai HY, Lee EK, Schoenfeld RC, Steiner S, Villa M, Weikert RJ, Iyer PS.: Novel, achiral aminoheterocycles as selective monoamine reuptake inhibitors. Bioorg Med Chem Lett, Volume 19 (16), 2009";ChEMBL
MM476346;MM476346;O=C(NC(Cc1ccc(Cl)c(Br)c1)C(=O)O)c1ccc(Br)cc1NS(=O)(=O)c1cccc2nsnc12;;674.78;5.1;45487002;;;CHEMBL570520;CACO;ECACO;25;0;"from B to A, <a href=https://www.ebi.ac.uk/chembl/assay_report_card/CHEMBL1045222/  target=_blank>CHEMBL1045222</a>";;;;;;;;;-6.72;;;;;;;;;;;;"Pippel M, Boyce K, Venkatesan H, Phuong VK, Yan W, Barrett TD, Lagaud G, Li L, Morton MF, Prendergast C, Wu X, Shankley NP, Rabinowitz MH.: Anthranilic sulfonamide CCK1/CCK2 dual receptor antagonists II: tuning of receptor selectivity and in vivo efficacy. Bioorg Med Chem Lett, Volume 19 (22), 2009";ChEMBL
MM476351;MM476351;O=C(NC(Cc1ccc(F)c(Br)c1)C(=O)O)c1ccc(Br)cc1NS(=O)(=O)c1cccc2nccnc12;;652.3;4.52;45486985;;;CHEMBL571650;CACO;ECACO;25;0;"from B to A, <a href=https://www.ebi.ac.uk/chembl/assay_report_card/CHEMBL1045222/  target=_blank>CHEMBL1045222</a>";;;;;;;;;-5.36;;;;;;;;;;;;"Pippel M, Boyce K, Venkatesan H, Phuong VK, Yan W, Barrett TD, Lagaud G, Li L, Morton MF, Prendergast C, Wu X, Shankley NP, Rabinowitz MH.: Anthranilic sulfonamide CCK1/CCK2 dual receptor antagonists II: tuning of receptor selectivity and in vivo efficacy. Bioorg Med Chem Lett, Volume 19 (22), 2009";ChEMBL
MM476352;MM476352;CC(=O)NC1CC(n2cnc(NC(=O)Cc3cccc4ccccc34)c2)C1;;362.43;3.06;45485630;;;CHEMBL571780;CACO;ECACO;25;0;"from B to A, <a href=https://www.ebi.ac.uk/chembl/assay_report_card/CHEMBL1048148/  target=_blank>CHEMBL1048148</a>";;;;;;;;;-4.76;;;;;;;;;;;;"Helal CJ, Kang Z, Lucas JC, Gant T, Ahlijanian MK, Schachter JB, Richter KE, Cook JM, Menniti FS, Kelly K, Mente S, Pandit J, Hosea N.: Potent and cellularly active 4-aminoimidazole inhibitors of cyclin-dependent kinase 5/p25 for the treatment of Alzheimer's disease. Bioorg Med Chem Lett, Volume 19 (19), 2009";ChEMBL
MM476358;MM476358;Cc1nc2ccc(NCc3cccc(C(F)(F)F)c3)cc2n(CCNC(=O)CO)c1=O;;434.42;2.44;25195516;;;CHEMBL573829;CACO;ECACO;25;0;"from B to A, <a href=https://www.ebi.ac.uk/chembl/assay_report_card/CHEMBL1044842/  target=_blank>CHEMBL1044842</a>";;;;;;;;;-4.32;;;;;;;;;;;;"Koltun DO, Zilbershtein TM, Migulin VA, Vasilevich NI, Parkhill EQ, Glushkov AI, McGregor MJ, Brunn SA, Chu N, Hao J, Mollova N, Leung K, Chisholm JW, Zablocki J.: Potent, orally bioavailable, liver-selective stearoyl-CoA desaturase (SCD) inhibitors. Bioorg Med Chem Lett, Volume 19 (15), 2009";ChEMBL
MM476362;MM476362;NC(N)=NCCCC(NC(=O)C1Cc2ccccc2CN1)C(=O)O;;333.39;-0.47;44613462;;;CHEMBL576424;CACO;ECACO;25;0;"from B to A, <a href=https://www.ebi.ac.uk/chembl/assay_report_card/CHEMBL1046167/  target=_blank>CHEMBL1046167</a>";;;;;;;;;-5.13;;;;;;;;;;;;"Cheng S, Zhang X, Wang W, Zhao M, Zheng M, Chang HW, Wu J, Peng S.: A class of novel N-(3S-1,2,3,4-tetrahydroisoquinoline-3-carbonyl)-L-amino acid derivatives: their synthesis, anti-thrombotic activity evaluation, and 3D QSAR analysis. Eur J Med Chem, Volume 44 (12), 2009";ChEMBL
MM476363;MM476363;N#Cc1c(-c2csc(-c3no[n+]([O-])c3C#N)c2)no[n+]1[O-];;302.23;0.07;;;;CHEMBL576624;CACO;ECACO;25;+2,-2;"from B to A, <a href=https://www.ebi.ac.uk/chembl/assay_report_card/CHEMBL1050862/  target=_blank>CHEMBL1050862</a>";;;;;;;;;-5.47;;;;;;;;;;;;"Rai G, Sayed AA, Lea WA, Luecke HF, Chakrapani H, Prast-Nielsen S, Jadhav A, Leister W, Shen M, Inglese J, Austin CP, Keefer L, Arnér ES, Simeonov A, Maloney DJ, Williams DL, Thomas CJ.: Structure mechanism insights and the role of nitric oxide donation guide the development of oxadiazole-2-oxides as therapeutic agents against schistosomiasis. J Med Chem, Volume 52 (20), 2009";ChEMBL
MM476369;MM476369;Cc1cccc(C(=O)NC2CC(n3cnc(NC(=O)Cc4cccc5ccccc45)c3)C2)n1;;439.52;4.05;10114110;;;CHEMBL583658;CACO;ECACO;25;0;"from B to A, <a href=https://www.ebi.ac.uk/chembl/assay_report_card/CHEMBL1048148/  target=_blank>CHEMBL1048148</a>";;;;;;;;;-4.85;;;;;;;;;;;;"Helal CJ, Kang Z, Lucas JC, Gant T, Ahlijanian MK, Schachter JB, Richter KE, Cook JM, Menniti FS, Kelly K, Mente S, Pandit J, Hosea N.: Potent and cellularly active 4-aminoimidazole inhibitors of cyclin-dependent kinase 5/p25 for the treatment of Alzheimer's disease. Bioorg Med Chem Lett, Volume 19 (19), 2009";ChEMBL
MM476370;MM476370;N#Cc1c(-c2cccs2)no[n+]1[O-];;193.19;0.91;;;;CHEMBL583780;CACO;ECACO;25;+1,-1;"from B to A, <a href=https://www.ebi.ac.uk/chembl/assay_report_card/CHEMBL1050862/  target=_blank>CHEMBL1050862</a>";;;;;;;;;-5.05;;;;;;;;;;;;"Rai G, Sayed AA, Lea WA, Luecke HF, Chakrapani H, Prast-Nielsen S, Jadhav A, Leister W, Shen M, Inglese J, Austin CP, Keefer L, Arnér ES, Simeonov A, Maloney DJ, Williams DL, Thomas CJ.: Structure mechanism insights and the role of nitric oxide donation guide the development of oxadiazole-2-oxides as therapeutic agents against schistosomiasis. J Med Chem, Volume 52 (20), 2009";ChEMBL
Nelfinavir;MM00528;Cc1c(O)cccc1C(=O)NC(CSc1ccccc1)C(O)CN1CC2CCCCC2CC1C(=O)NC(C)(C)C;QAGYKUNXZHXKMR-UHFFFAOYSA-N;567.8;4.75;64143;DB00220;1UN;CHEMBL584;CACO;ECACO;25;0;"from B to A, <a href=https://www.ebi.ac.uk/chembl/assay_report_card/CHEMBL945669/  target=_blank>CHEMBL945669</a>";;;;;;;;;-5.6;;;;;;;;;;;;"Roche D, Greiner J, Aubertin AM, Vierling P.: Synthesis and in vitro biological evaluation of valine-containing prodrugs derived from clinically used HIV-protease inhibitors. Eur J Med Chem, Volume 43 (7), 2008";ChEMBL
MM476373;MM476373;O=C(NC(Cc1ccc(Cl)c(Br)c1)C(=O)O)c1ccc(Br)cc1NS(=O)(=O)c1cccc2nccnc12;;668.75;5.03;45487006;;;CHEMBL584525;CACO;ECACO;25;0;"from B to A, <a href=https://www.ebi.ac.uk/chembl/assay_report_card/CHEMBL1045222/  target=_blank>CHEMBL1045222</a>";;;;;;;;;-5.71;;;;;;;;;;;;"Pippel M, Boyce K, Venkatesan H, Phuong VK, Yan W, Barrett TD, Lagaud G, Li L, Morton MF, Prendergast C, Wu X, Shankley NP, Rabinowitz MH.: Anthranilic sulfonamide CCK1/CCK2 dual receptor antagonists II: tuning of receptor selectivity and in vivo efficacy. Bioorg Med Chem Lett, Volume 19 (22), 2009";ChEMBL
MM476374;MM476374;NC(CC(=O)N1CCCC1c1noc(C2(C(F)(F)F)CC2)n1)Cc1cc(F)c(F)cc1F;;462.39;3.7;45487921;;;CHEMBL584692;CACO;ECACO;25;0;"from B to A, <a href=https://www.ebi.ac.uk/chembl/assay_report_card/CHEMBL1039017/  target=_blank>CHEMBL1039017</a>";;;;;;;;;-4.31;;;;;;;;;;;;"Nordhoff S, Bulat S, Cerezo-Gálvez S, Hill O, Hoffmann-Enger B, López-Canet M, Rosenbaum C, Rummey C, Thiemann M, Matassa VG, Edwards PJ, Feurer A.: The design of potent and selective inhibitors of DPP-4: optimization of ADME properties by amide replacements. Bioorg Med Chem Lett, Volume 19 (22), 2009";ChEMBL
MM476376;MM476376;O=C(NC(Cc1ccc(F)c(Br)c1)C(=O)O)c1ccc(Br)cc1NS(=O)(=O)c1cccc2nsnc12;;658.33;4.58;45486976;;;CHEMBL585157;CACO;ECACO;25;0;"from B to A, <a href=https://www.ebi.ac.uk/chembl/assay_report_card/CHEMBL1045222/  target=_blank>CHEMBL1045222</a>";;;;;;;;;-6.47;;;;;;;;;;;;"Pippel M, Boyce K, Venkatesan H, Phuong VK, Yan W, Barrett TD, Lagaud G, Li L, Morton MF, Prendergast C, Wu X, Shankley NP, Rabinowitz MH.: Anthranilic sulfonamide CCK1/CCK2 dual receptor antagonists II: tuning of receptor selectivity and in vivo efficacy. Bioorg Med Chem Lett, Volume 19 (22), 2009";ChEMBL
MM476378;MM476378;N#Cc1c(-c2ccc(Br)cc2)no[n+]1[O-];;266.05;1.61;;;;CHEMBL585368;CACO;ECACO;25;+1,-1;"from B to A, <a href=https://www.ebi.ac.uk/chembl/assay_report_card/CHEMBL1050862/  target=_blank>CHEMBL1050862</a>";;;;;;;;;-5.32;;;;;;;;;;;;"Rai G, Sayed AA, Lea WA, Luecke HF, Chakrapani H, Prast-Nielsen S, Jadhav A, Leister W, Shen M, Inglese J, Austin CP, Keefer L, Arnér ES, Simeonov A, Maloney DJ, Williams DL, Thomas CJ.: Structure mechanism insights and the role of nitric oxide donation guide the development of oxadiazole-2-oxides as therapeutic agents against schistosomiasis. J Med Chem, Volume 52 (20), 2009";ChEMBL
MM476380;MM476380;N#Cc1ccc(NC(=O)NCc2cccc(C(=O)Nc3ccc4c(c3)CNCC4)c2)cc1;MCIPSMFHIWYOIN-UHFFFAOYSA-N;425.49;3.78;25056112;;;CHEMBL590810;CACO;ECACO;25;0;"from B to A, <a href=https://www.ebi.ac.uk/chembl/assay_report_card/CHEMBL1066154/  target=_blank>CHEMBL1066154</a>";;;;;;;;;-5.06;;;;;;;;;;;;"Morwick T, Büttner FH, Cywin CL, Dahmann G, Hickey E, Jakes S, Kaplita P, Kashem MA, Kerr S, Kugler S, Mao W, Marshall D, Paw Z, Shih CK, Wu F, Young E.: Hit to lead account of the discovery of bisbenzamide and related ureidobenzamide inhibitors of Rho kinase. J Med Chem, Volume 53 (2), 2010";ChEMBL
MM473023;MM473023;COc1ccc(C(=O)NCc2cccc(C(=O)Nc3ccc(CN(C)C)cc3)c2)cc1Cl;VYLVEERKOLDJOU-UHFFFAOYSA-N;451.95;4.59;25054307;;;CHEMBL592709;CACO;ECACO;25;0;"from B to A, <a href=https://www.ebi.ac.uk/chembl/assay_report_card/CHEMBL1066154/  target=_blank>CHEMBL1066154</a>";;;;;;;;;-4.34;;;;;;;;;;;;"Morwick T, Büttner FH, Cywin CL, Dahmann G, Hickey E, Jakes S, Kaplita P, Kashem MA, Kerr S, Kugler S, Mao W, Marshall D, Paw Z, Shih CK, Wu F, Young E.: Hit to lead account of the discovery of bisbenzamide and related ureidobenzamide inhibitors of Rho kinase. J Med Chem, Volume 53 (2), 2010";ChEMBL
MM476395;MM476395;COc1ccc(C(=O)NCc2cccc(C(=O)NCCC3CCCNC3)c2)cc1OC;;425.53;2.75;25057408;;;CHEMBL597127;CACO;ECACO;25;0;"from B to A, <a href=https://www.ebi.ac.uk/chembl/assay_report_card/CHEMBL1066154/  target=_blank>CHEMBL1066154</a>";;;;;;;;;-6.1;;;;;;;;;;;;"Morwick T, Büttner FH, Cywin CL, Dahmann G, Hickey E, Jakes S, Kaplita P, Kashem MA, Kerr S, Kugler S, Mao W, Marshall D, Paw Z, Shih CK, Wu F, Young E.: Hit to lead account of the discovery of bisbenzamide and related ureidobenzamide inhibitors of Rho kinase. J Med Chem, Volume 53 (2), 2010";ChEMBL
MM473028;MM473028;COc1ccc(C(=O)NCc2cccc(C(=O)NCCc3ccncc3)c2)cc1OC;ULXYUIOTBNWJFH-UHFFFAOYSA-N;425.53;2.75;44819015;;;CHEMBL598336;CACO;ECACO;25;0;"from B to A, <a href=https://www.ebi.ac.uk/chembl/assay_report_card/CHEMBL1066154/  target=_blank>CHEMBL1066154</a>";;;;;;;;;-4.54;;;;;;;;;;;;"Morwick T, Büttner FH, Cywin CL, Dahmann G, Hickey E, Jakes S, Kaplita P, Kashem MA, Kerr S, Kugler S, Mao W, Marshall D, Paw Z, Shih CK, Wu F, Young E.: Hit to lead account of the discovery of bisbenzamide and related ureidobenzamide inhibitors of Rho kinase. J Med Chem, Volume 53 (2), 2010";ChEMBL
MM476396;MM476396;Cn1nnc(-c2c(F)cc(Cl)cc2-c2cnc(CNC(=O)N(O)C3CCC(F)(F)CC3)c(F)c2)n1;;513.88;4.35;46216675;;;CHEMBL599285;CACO;ECACO;25;0;"from B to A, <a href=https://www.ebi.ac.uk/chembl/assay_report_card/CHEMBL1067015/  target=_blank>CHEMBL1067015</a>";;;;;;;;;-4.37;;;;;;;;;;;;"Schnatbaum K, Schaudt M, Stragies R, Pfeifer JR, Gibson C, Locardi E, Scharn D, Richter U, Kalkhof H, Dinkel K, Zischinsky G.: Novel small molecule bradykinin B1 receptor antagonists. Part 3: hydroxyurea derivatives. Bioorg Med Chem Lett, Volume 20 (3), 2010";ChEMBL
MM473025;MM473025;COc1ccc(C(=O)NCc2cccc(C(=O)Nc3ccc4c(c3)CN(C)CC4)c2)cc1OC;RUVNTEGYLMYXCF-UHFFFAOYSA-N;459.55;3.87;25057933;;;CHEMBL599791;CACO;ECACO;25;0;"from B to A, <a href=https://www.ebi.ac.uk/chembl/assay_report_card/CHEMBL1066154/  target=_blank>CHEMBL1066154</a>";;;;;;;;;-4.57;;;;;;;;;;;;"Morwick T, Büttner FH, Cywin CL, Dahmann G, Hickey E, Jakes S, Kaplita P, Kashem MA, Kerr S, Kugler S, Mao W, Marshall D, Paw Z, Shih CK, Wu F, Young E.: Hit to lead account of the discovery of bisbenzamide and related ureidobenzamide inhibitors of Rho kinase. J Med Chem, Volume 53 (2), 2010";ChEMBL
MM473027;MM473027;COc1ccc(C(=O)NCc2cccc(C(=O)Nc3ccc(CN(C)C)cc3)c2)cc1OC;MMRPIWYTUYGTFQ-UHFFFAOYSA-N;447.54;3.95;25054032;;;CHEMBL599792;CACO;ECACO;25;0;"from B to A, <a href=https://www.ebi.ac.uk/chembl/assay_report_card/CHEMBL1066154/  target=_blank>CHEMBL1066154</a>";;;;;;;;;-4.84;;;;;;;;;;;;"Morwick T, Büttner FH, Cywin CL, Dahmann G, Hickey E, Jakes S, Kaplita P, Kashem MA, Kerr S, Kugler S, Mao W, Marshall D, Paw Z, Shih CK, Wu F, Young E.: Hit to lead account of the discovery of bisbenzamide and related ureidobenzamide inhibitors of Rho kinase. J Med Chem, Volume 53 (2), 2010";ChEMBL
MM473029;MM473029;COc1ccc(C(=O)NCc2cccc(C(=O)Nc3ccc4c(c3)CNCC4)c2)cc1OC;AOTJVGQNGQYEAY-UHFFFAOYSA-N;445.52;3.53;25057409;;;CHEMBL604087;CACO;ECACO;25;0;"from B to A, <a href=https://www.ebi.ac.uk/chembl/assay_report_card/CHEMBL1066154/  target=_blank>CHEMBL1066154</a>";;;;;;;;;-5.27;;;;;;;;;;;;"Morwick T, Büttner FH, Cywin CL, Dahmann G, Hickey E, Jakes S, Kaplita P, Kashem MA, Kerr S, Kugler S, Mao W, Marshall D, Paw Z, Shih CK, Wu F, Young E.: Hit to lead account of the discovery of bisbenzamide and related ureidobenzamide inhibitors of Rho kinase. J Med Chem, Volume 53 (2), 2010";ChEMBL
MM473024;MM473024;COc1ccc(C(=O)NCc2cccc(C(=O)Nc3ccc(CN(C)C)cc3)c2)cc1C;ZHYPMHNQQRIWRP-UHFFFAOYSA-N;431.54;4.25;25054568;;;CHEMBL604249;CACO;ECACO;25;0;"from B to A, <a href=https://www.ebi.ac.uk/chembl/assay_report_card/CHEMBL1066154/  target=_blank>CHEMBL1066154</a>";;;;;;;;;-4.51;;;;;;;;;;;;"Morwick T, Büttner FH, Cywin CL, Dahmann G, Hickey E, Jakes S, Kaplita P, Kashem MA, Kerr S, Kugler S, Mao W, Marshall D, Paw Z, Shih CK, Wu F, Young E.: Hit to lead account of the discovery of bisbenzamide and related ureidobenzamide inhibitors of Rho kinase. J Med Chem, Volume 53 (2), 2010";ChEMBL
MM473026;MM473026;COc1ccc(C(=O)NCc2cccc(C(=O)Nc3ccc(CO)cc3)c2)cc1OC;OKHVXBABEFQOCR-UHFFFAOYSA-N;420.47;3.38;44819193;;;CHEMBL605360;CACO;ECACO;25;0;"from B to A, <a href=https://www.ebi.ac.uk/chembl/assay_report_card/CHEMBL1066154/  target=_blank>CHEMBL1066154</a>";;;;;;;;;-4.79;;;;;;;;;;;;"Morwick T, Büttner FH, Cywin CL, Dahmann G, Hickey E, Jakes S, Kaplita P, Kashem MA, Kerr S, Kugler S, Mao W, Marshall D, Paw Z, Shih CK, Wu F, Young E.: Hit to lead account of the discovery of bisbenzamide and related ureidobenzamide inhibitors of Rho kinase. J Med Chem, Volume 53 (2), 2010";ChEMBL
MM476401;MM476401;COc1ccc(CC(C)(C)NCC(O)c2cc(O)cc3c2OCC(=O)N3)cc1;;386.45;2.38;11504295;;;CHEMBL605846;CACO;ECACO;25;0;"from B to A, <a href=https://www.ebi.ac.uk/chembl/assay_report_card/CHEMBL1066524/  target=_blank>CHEMBL1066524</a>";;;;;;;;;-5.05;;;;;;;;;;;;"Bouyssou T, Hoenke C, Rudolf K, Lustenberger P, Pestel S, Sieger P, Lotz R, Heine C, Büttner FH, Schnapp A, Konetzki I.: Discovery of olodaterol, a novel inhaled beta2-adrenoceptor agonist with a 24 h bronchodilatory efficacy. Bioorg Med Chem Lett, Volume 20 (4), 2010";ChEMBL
D-mannitol;MM00386;OCC(O)C(O)C(O)C(O)CO;FBPFZTCFMRRESA-KVTDHHQDSA-N;182.17;-3.59;6251;DB00742;MTL;CHEMBL689;CACO;ECACO;25;0;"from B to A, <a href=https://www.ebi.ac.uk/chembl/assay_report_card/CHEMBL1108562/  target=_blank>CHEMBL1108562</a>";;;;;;;;;-5.96;;;;;;;;;;;;"Burns CJ, Bourke DG, Andrau L, Bu X, Charman SA, Donohue AC, Fantino E, Farrugia M, Feutrill JT, Joffe M, Kling MR, Kurek M, Nero TL, Nguyen T, Palmer JT, Phillips I, Shackleford DM, Sikanyika H, Styles M, Su S, Treutlein H, Zeng J, Wilks AF.: Phenylaminopyrimidines as inhibitors of Janus kinases (JAKs). Bioorg Med Chem Lett, Volume 19 (20), 2009";ChEMBL
Verapamil;MM00585;COc1ccc(CCN(C)CCCC(C#N)(c2ccc(OC)c(OC)c2)C(C)C)cc1OC;SGTNSNPWRIOYBX-UHFFFAOYSA-N;454.61;5.09;2520;DB00661;;CHEMBL6966;CACO;ECACO;25;0;"from B to A, <a href=https://www.ebi.ac.uk/chembl/assay_report_card/CHEMBL921231/  target=_blank>CHEMBL921231</a>";;;;;;;;;-4.16;;;;;;;;;;;;"Colabufo NA, Berardi F, Cantore M, Perrone MG, Contino M, Inglese C, Niso M, Perrone R, Azzariti A, Simone GM, Porcelli L, Paradiso A.: Small P-gp modulating molecules: SAR studies on tetrahydroisoquinoline derivatives. Bioorg Med Chem, Volume 16 (1), 2008";ChEMBL
Verapamil;MM00585;COc1ccc(CCN(C)CCCC(C#N)(c2ccc(OC)c(OC)c2)C(C)C)cc1OC;SGTNSNPWRIOYBX-UHFFFAOYSA-N;454.61;5.09;2520;DB00661;;CHEMBL6966;CACO;ECACO;25;0;"from B to A, <a href=https://www.ebi.ac.uk/chembl/assay_report_card/CHEMBL923494/  target=_blank>CHEMBL923494</a>";;;;;;;;;-4.16;;;;;;;;;;;;"Colabufo NA, Berardi F, Cantore M, Perrone MG, Contino M, Inglese C, Niso M, Perrone R, Azzariti A, Simone GM, Paradiso A.: 4-Biphenyl and 2-naphthyl substituted 6,7-dimethoxytetrahydroisoquinoline derivatives as potent P-gp modulators. Bioorg Med Chem, Volume 16 (7), 2008";ChEMBL
MM472953;MM472953;COc1ccc(-c2cc(=O)c3c(O)cc(O)cc3o2)cc1O;MBNGWHIJMBWFHU-UHFFFAOYSA-N;300.27;2.59;;;;;CACO;ECACO;25;0;"from B to A, <a href=https://www.ebi.ac.uk/chembl/assay_report_card/CHEMBL988138/  target=_blank>CHEMBL988138</a>";;;;;;;;;-4.91;;;;;;;;;;;;"Serra H, Mendes T, Bronze MR, Simplício AL.: Prediction of intestinal absorption and metabolism of pharmacologically active flavones and flavanones. Bioorg Med Chem, Volume 16 (7), 2008";ChEMBL
Naringenin;MM00673;O=C1CC(c2ccc(O)cc2)Oc2cc(O)cc(O)c21;FTVWIRXFELQLPI-UHFFFAOYSA-N;272.26;2.51;439246;DB03467;NAR;CHEMBL9352;CACO;ECACO;25;0;"from B to A, <a href=https://www.ebi.ac.uk/chembl/assay_report_card/CHEMBL988138/  target=_blank>CHEMBL988138</a>";;;;;;;;;-4.29;;;;;;;;;;;;"Serra H, Mendes T, Bronze MR, Simplício AL.: Prediction of intestinal absorption and metabolism of pharmacologically active flavones and flavanones. Bioorg Med Chem, Volume 16 (7), 2008";ChEMBL
MM476429;MM476429;CCCC(CC1(C(=O)NC2(CO)Cc3ccccc3C2)CCCC1)C(=O)O;;373.49;3.08;9969592;;;CHEMBL212526;CACO;ECACO;25;0;"from B to A, ph = 7.4, <a href=https://www.ebi.ac.uk/chembl/assay_report_card/CHEMBL862879/  target=_blank>CHEMBL862879</a>";;;;;;;;;-5;;;;;;;;;;;;"Pryde DC, Maw GN, Planken S, Platts MY, Sanderson V, Corless M, Stobie A, Barber CG, Russell R, Foster L, Barker L, Wayman C, Van Der Graaf P, Stacey P, Morren D, Kohl C, Beaumont K, Coggon S, Tute M.: Novel selective inhibitors of neutral endopeptidase for the treatment of female sexual arousal disorder. Synthesis and activity of functionalized glutaramides. J Med Chem, Volume 49 (14), 2006";ChEMBL
MM476431;MM476431;COCCC(CC1(C(=O)NC2(CO)Cc3ccccc3C2)CCCC1)C(=O)O;;389.49;2.32;10110899;;;CHEMBL225084;CACO;ECACO;25;0;"from B to A, ph = 7.4, <a href=https://www.ebi.ac.uk/chembl/assay_report_card/CHEMBL914048/  target=_blank>CHEMBL914048</a>";;;;;;;;;-5.6;;;;;;;;;;;;"Pryde DC, Cook AS, Burring DJ, Jones LH, Foll S, Platts MY, Sanderson V, Corless M, Stobie A, Middleton DS, Foster L, Barker L, Van Der Graaf P, Stacey P, Kohl C, Coggon S, Beaumont K.: Novel selective inhibitors of neutral endopeptidase for the treatment of female sexual arousal disorder. Bioorg Med Chem, Volume 15 (1), 2007";ChEMBL
MM476432;MM476432;COCCC(CC1(C(=O)NCCCc2ccc(Cl)cc2)CCCC1)C(=O)O;;395.93;4.08;15978653;;;CHEMBL225085;CACO;ECACO;25;0;"from B to A, ph = 7.4, <a href=https://www.ebi.ac.uk/chembl/assay_report_card/CHEMBL914048/  target=_blank>CHEMBL914048</a>";;;;;;;;;-4.85;;;;;;;;;;;;"Pryde DC, Cook AS, Burring DJ, Jones LH, Foll S, Platts MY, Sanderson V, Corless M, Stobie A, Middleton DS, Foster L, Barker L, Van Der Graaf P, Stacey P, Kohl C, Coggon S, Beaumont K.: Novel selective inhibitors of neutral endopeptidase for the treatment of female sexual arousal disorder. Bioorg Med Chem, Volume 15 (1), 2007";ChEMBL
MM475543;MM475543;CC(N)CC(=O)NC(CCCCN)CC(=O)O;;245.32;-0.19;23630629;;;CHEMBL244755;CACO;ECACO;25;0;"from B to A, ph = 7.4, <a href=https://www.ebi.ac.uk/chembl/assay_report_card/CHEMBL896862/  target=_blank>CHEMBL896862</a>";;;;;;;;;-7.29;;;;;;;;;;;;"Hubatsch I, Arvidsson PI, Seebach D, Luthman K, Artursson P.: Beta- and gamma-di- and tripeptides as potential substrates for the oligopeptide transporter hPepT1. J Med Chem, Volume 50 (21), 2007";ChEMBL
MM475543;MM475543;CC(N)CC(=O)NC(CCCCN)CC(=O)O;;245.32;-0.19;23630629;;;CHEMBL244755;CACO;ECACO;25;0;"from B to A, ph = 7.4, <a href=https://www.ebi.ac.uk/chembl/assay_report_card/CHEMBL896864/  target=_blank>CHEMBL896864</a>";;;;;;;;;-7.31;;;;;;;;;;;;"Hubatsch I, Arvidsson PI, Seebach D, Luthman K, Artursson P.: Beta- and gamma-di- and tripeptides as potential substrates for the oligopeptide transporter hPepT1. J Med Chem, Volume 50 (21), 2007";ChEMBL
MM476437;MM476437;CCCC(CC1(C(=O)Nc2nnc(C)s2)CCCC1)C(=O)O;FEIWTOVFMGPLGF-LLVKDONJSA-N;325.43;3.24;44413731;;;CHEMBL378762;CACO;ECACO;25;0;"from B to A, ph = 7.4, <a href=https://www.ebi.ac.uk/chembl/assay_report_card/CHEMBL862879/  target=_blank>CHEMBL862879</a>";;;;;;;;;-5.7;;;;;;;;;;;;"Pryde DC, Maw GN, Planken S, Platts MY, Sanderson V, Corless M, Stobie A, Barber CG, Russell R, Foster L, Barker L, Wayman C, Van Der Graaf P, Stacey P, Morren D, Kohl C, Beaumont K, Coggon S, Tute M.: Novel selective inhibitors of neutral endopeptidase for the treatment of female sexual arousal disorder. Synthesis and activity of functionalized glutaramides. J Med Chem, Volume 49 (14), 2006";ChEMBL
MM476438;MM476438;CCCC(CC1(C(=O)Nc2nnc(CC)s2)CCCC1)C(=O)O;;339.46;3.49;9949799;;;CHEMBL378763;CACO;ECACO;25;0;"from B to A, ph = 7.4, <a href=https://www.ebi.ac.uk/chembl/assay_report_card/CHEMBL914048/  target=_blank>CHEMBL914048</a>";;;;;;;;;-4.85;;;;;;;;;;;;"Pryde DC, Cook AS, Burring DJ, Jones LH, Foll S, Platts MY, Sanderson V, Corless M, Stobie A, Middleton DS, Foster L, Barker L, Van Der Graaf P, Stacey P, Kohl C, Coggon S, Beaumont K.: Novel selective inhibitors of neutral endopeptidase for the treatment of female sexual arousal disorder. Bioorg Med Chem, Volume 15 (1), 2007";ChEMBL
MM476438;MM476438;CCCC(CC1(C(=O)Nc2nnc(CC)s2)CCCC1)C(=O)O;;339.46;3.49;9949799;;;CHEMBL378763;CACO;ECACO;25;0;"from B to A, ph = 7.4, <a href=https://www.ebi.ac.uk/chembl/assay_report_card/CHEMBL862879/  target=_blank>CHEMBL862879</a>";;;;;;;;;-4.85;;;;;;;;;;;;"Pryde DC, Maw GN, Planken S, Platts MY, Sanderson V, Corless M, Stobie A, Barber CG, Russell R, Foster L, Barker L, Wayman C, Van Der Graaf P, Stacey P, Morren D, Kohl C, Beaumont K, Coggon S, Tute M.: Novel selective inhibitors of neutral endopeptidase for the treatment of female sexual arousal disorder. Synthesis and activity of functionalized glutaramides. J Med Chem, Volume 49 (14), 2006";ChEMBL
MM475908;MM475908;CCCC(CC(C)NC(=O)C(C)CC(NC(=O)C(Cc1ccccc1)CC(C)N)C(C)C)C(=O)O;;489.7;4.15;23631917;;;CHEMBL397682;CACO;ECACO;25;0;"from B to A, ph = 7.4, <a href=https://www.ebi.ac.uk/chembl/assay_report_card/CHEMBL896862/  target=_blank>CHEMBL896862</a>";;;;;;;;;-6.94;;;;;;;;;;;;"Hubatsch I, Arvidsson PI, Seebach D, Luthman K, Artursson P.: Beta- and gamma-di- and tripeptides as potential substrates for the oligopeptide transporter hPepT1. J Med Chem, Volume 50 (21), 2007";ChEMBL
MM475908;MM475908;CCCC(CC(C)NC(=O)C(C)CC(NC(=O)C(Cc1ccccc1)CC(C)N)C(C)C)C(=O)O;;489.7;4.15;23631917;;;CHEMBL397682;CACO;ECACO;25;0;"from B to A, ph = 7.4, <a href=https://www.ebi.ac.uk/chembl/assay_report_card/CHEMBL896864/  target=_blank>CHEMBL896864</a>";;;;;;;;;-7.28;;;;;;;;;;;;"Hubatsch I, Arvidsson PI, Seebach D, Luthman K, Artursson P.: Beta- and gamma-di- and tripeptides as potential substrates for the oligopeptide transporter hPepT1. J Med Chem, Volume 50 (21), 2007";ChEMBL
MM476445;MM476445;COc1ccc(CCN2C(=O)N(NS(C)(=O)=O)C[C@H]2c2ccc(OC)cc2)cc1;;419.5;2.19;;;;CHEMBL569185;CACO;ECACO;25;0;"from B to A, ph = 7.4, <a href=https://www.ebi.ac.uk/chembl/assay_report_card/CHEMBL1039591/  target=_blank>CHEMBL1039591</a>";;;;;;;;;-4.41;;;;;;;;;;;;"Blass BE, Fensome A, Trybulski E, Magolda R, Gardell SJ, Liu K, Samuel M, Feingold I, Huselton C, Jackson CM, Djandjighian L, Ho D, Hennan J, Janusz JM.: Selective Kv1.5 blockers: development of (R)-1-(methylsulfonylamino)-3-[2-(4-methoxyphenyl)ethyl]-4-(4-methoxyphenyl)-2-imidazolidinone (KVI-020/WYE-160020) as a potential treatment for atrial arrhythmia. J Med Chem, Volume 52 (21), 2009";ChEMBL
MM475730;MM475730;COc1ccc(Cn2ccc(C)c(NC(=O)C(Cc3ccc(C(C)(C)C(=O)O)cc3)NC(=O)Cc3cccc4ccccc34)c2=O)cc1;;645.76;5.64;11006780;;;CHEMBL309855;CACO;ECACO;25;0;"from B to A, <a href=https://www.ebi.ac.uk/chembl/assay_report_card/CHEMBL634344/  target=_blank>CHEMBL634344</a>";;;;;;;;;-4.65;;;;;;;;;;;;"Proudfoot JR, Betageri R, Cardozo M, Gilmore TA, Glynn S, Hickey ER, Jakes S, Kabcenell A, Kirrane TM, Tibolla AK, Lukas S, Patel UR, Sharma R, Yazdanian M, Moss N, Beaulieu PL, Cameron DR, Ferland JM, Gauthier J, Gillard J, Gorys V, Poirier M, Rancourt J, Wernic D, Llinas-Brunet M.: Nonpeptidic, monocharged, cell permeable ligands for the p56lck SH2 domain. J Med Chem, Volume 44 (15), 2001";ChEMBL
MM475977;MM475977;COc1ccc(Cn2ccc(C)c(NC(=O)[C@H](Cc3ccc(C(C)(C)C(=O)O)cc3)NC(=O)C(C)(C)c3ccc4ccccc4c3)c2=O)cc1;;673.81;6.37;;;;CHEMBL411464;CACO;ECACO;25;0;"from B to A, <a href=https://www.ebi.ac.uk/chembl/assay_report_card/CHEMBL638028/  target=_blank>CHEMBL638028</a>";;;;;;;;;-4.41;;;;;;;;;;;;"Proudfoot JR, Betageri R, Cardozo M, Gilmore TA, Glynn S, Hickey ER, Jakes S, Kabcenell A, Kirrane TM, Tibolla AK, Lukas S, Patel UR, Sharma R, Yazdanian M, Moss N, Beaulieu PL, Cameron DR, Ferland JM, Gauthier J, Gillard J, Gorys V, Poirier M, Rancourt J, Wernic D, Llinas-Brunet M.: Nonpeptidic, monocharged, cell permeable ligands for the p56lck SH2 domain. J Med Chem, Volume 44 (15), 2001";ChEMBL
MM476204;MM476204;COc1ccc(CNC(=O)C(CCC(=O)O)NC(=O)C(Cc2ccc(CC(=O)O)cc2)NC(=O)Cc2cccc3ccccc23)cc1;;639.71;3.41;10675602;;;CHEMBL50913;CACO;ECACO;25;0;"from B to A, <a href=https://www.ebi.ac.uk/chembl/assay_report_card/CHEMBL634344/  target=_blank>CHEMBL634344</a>";;;;;;;;;-6.72;;;;;;;;;;;;"Proudfoot JR, Betageri R, Cardozo M, Gilmore TA, Glynn S, Hickey ER, Jakes S, Kabcenell A, Kirrane TM, Tibolla AK, Lukas S, Patel UR, Sharma R, Yazdanian M, Moss N, Beaulieu PL, Cameron DR, Ferland JM, Gauthier J, Gillard J, Gorys V, Poirier M, Rancourt J, Wernic D, Llinas-Brunet M.: Nonpeptidic, monocharged, cell permeable ligands for the p56lck SH2 domain. J Med Chem, Volume 44 (15), 2001";ChEMBL
MM476415;MM476415;COc1ccc(Cn2ccc(C)c(NC(=O)C(Cc3ccc(CC(=O)O)cc3)NC(=O)Cc3cccc4ccccc34)c2=O)cc1;;617.7;4.9;20674449;;;CHEMBL77967;CACO;ECACO;25;0;"from B to A, <a href=https://www.ebi.ac.uk/chembl/assay_report_card/CHEMBL634344/  target=_blank>CHEMBL634344</a>";;;;;;;;;-4.96;;;;;;;;;;;;"Proudfoot JR, Betageri R, Cardozo M, Gilmore TA, Glynn S, Hickey ER, Jakes S, Kabcenell A, Kirrane TM, Tibolla AK, Lukas S, Patel UR, Sharma R, Yazdanian M, Moss N, Beaulieu PL, Cameron DR, Ferland JM, Gauthier J, Gillard J, Gorys V, Poirier M, Rancourt J, Wernic D, Llinas-Brunet M.: Nonpeptidic, monocharged, cell permeable ligands for the p56lck SH2 domain. J Med Chem, Volume 44 (15), 2001";ChEMBL
MM476418;MM476418;COc1ccc(Cn2ccc(C)c(NC(=O)C(Cc3ccc(C(C)(C)C(=O)O)cc3)NC(=O)Cc3ccc4ccccc4c3)c2=O)cc1;;645.76;5.64;11028669;;;CHEMBL79648;CACO;ECACO;25;0;"from B to A, <a href=https://www.ebi.ac.uk/chembl/assay_report_card/CHEMBL634344/  target=_blank>CHEMBL634344</a>";;;;;;;;;-4.64;;;;;;;;;;;;"Proudfoot JR, Betageri R, Cardozo M, Gilmore TA, Glynn S, Hickey ER, Jakes S, Kabcenell A, Kirrane TM, Tibolla AK, Lukas S, Patel UR, Sharma R, Yazdanian M, Moss N, Beaulieu PL, Cameron DR, Ferland JM, Gauthier J, Gillard J, Gorys V, Poirier M, Rancourt J, Wernic D, Llinas-Brunet M.: Nonpeptidic, monocharged, cell permeable ligands for the p56lck SH2 domain. J Med Chem, Volume 44 (15), 2001";ChEMBL
MM475221;MM475221;CN1C(=O)N(c2cc(Cl)cc(Cl)c2)C(=O)C12CN(c1ccc(C(=O)O)cn1)CC2c1ccc(C#N)cc1;LILGMDXLRPEBNH-HFZDXXHNSA-N;536.38;4.4;11699447;;;CHEMBL1098726;CACO;ECACO;25;0;"from A to B, <a href=https://www.ebi.ac.uk/chembl/assay_report_card/CHEMBL1117465/  target=_blank>CHEMBL1117465</a>";;;;;;;;;-4.83;;;;;;;;;;;;"Watterson SH, Xiao Z, Dodd DS, Tortolani DR, Vaccaro W, Potin D, Launay M, Stetsko DK, Skala S, Davis PM, Lee D, Yang X, McIntyre KW, Balimane P, Patel K, Yang Z, Marathe P, Kadiyala P, Tebben AJ, Sheriff S, Chang CY, Ziemba T, Zhang H, Chen BC, DelMonte AJ, Aranibar N, McKinnon M, Barrish JC, Suchard SJ, Murali Dhar TG.: Small molecule antagonist of leukocyte function associated antigen-1 (LFA-1): structure-activity relationships leading to the identification of 6-((5S,9R)-9-(4-cyanophenyl)-3-(3,5-dichlorophenyl)-1-methyl-2,4-dioxo-1,3,7-triazaspiro[4.4]nonan-7-yl)nicotinic acid (BMS-688521). J Med Chem, Volume 53 (9), 2010";ChEMBL
MM475332;MM475332;O=C(N[C@@H](Cc1ccccc1)C(=O)NCCC(O)(P(=O)(O)O)P(=O)(O)O)[C@@H]1CCCN1;;479.36;-1.03;;;;CHEMBL2028899;CACO;ECACO;25;0;"from A to B, <a href=https://www.ebi.ac.uk/chembl/assay_report_card/CHEMBL633575/  target=_blank>CHEMBL633575</a>";;;;;;;;;-5.3;;;;;;;;;;;;"Ezra A, Hoffman A, Breuer E, Alferiev IS, Mönkkönen J, El Hanany-Rozen N, Weiss G, Stepensky D, Gati I, Cohen H, Törmälehto S, Amidon GL, Golomb G.: A peptide prodrug approach for improving bisphosphonate oral absorption. J Med Chem, Volume 43 (20), 2000";ChEMBL
MM475332;MM475332;O=C(N[C@@H](Cc1ccccc1)C(=O)NCCC(O)(P(=O)(O)O)P(=O)(O)O)[C@@H]1CCCN1;;479.36;-1.03;;;;CHEMBL2028899;CACO;ECACO;25;0;"from A to B, <a href=https://www.ebi.ac.uk/chembl/assay_report_card/CHEMBL638029/  target=_blank>CHEMBL638029</a>";;;;;;;;;-5.96;;;;;;;;;;;;"Ezra A, Hoffman A, Breuer E, Alferiev IS, Mönkkönen J, El Hanany-Rozen N, Weiss G, Stepensky D, Gati I, Cohen H, Törmälehto S, Amidon GL, Golomb G.: A peptide prodrug approach for improving bisphosphonate oral absorption. J Med Chem, Volume 43 (20), 2000";ChEMBL
MM475333;MM475333;O=C(N[C@@H](Cc1ccccc1)C(=O)NCCCC(O)(P(=O)(O)O)P(=O)(O)O)[C@@H]1CCCN1;;493.39;-0.64;;;;CHEMBL2028900;CACO;ECACO;25;0;"from A to B, <a href=https://www.ebi.ac.uk/chembl/assay_report_card/CHEMBL633575/  target=_blank>CHEMBL633575</a>";;;;;;;;;-4.99;;;;;;;;;;;;"Ezra A, Hoffman A, Breuer E, Alferiev IS, Mönkkönen J, El Hanany-Rozen N, Weiss G, Stepensky D, Gati I, Cohen H, Törmälehto S, Amidon GL, Golomb G.: A peptide prodrug approach for improving bisphosphonate oral absorption. J Med Chem, Volume 43 (20), 2000";ChEMBL
MM475333;MM475333;O=C(N[C@@H](Cc1ccccc1)C(=O)NCCCC(O)(P(=O)(O)O)P(=O)(O)O)[C@@H]1CCCN1;;493.39;-0.64;;;;CHEMBL2028900;CACO;ECACO;25;0;"from A to B, <a href=https://www.ebi.ac.uk/chembl/assay_report_card/CHEMBL638029/  target=_blank>CHEMBL638029</a>";;;;;;;;;-5.64;;;;;;;;;;;;"Ezra A, Hoffman A, Breuer E, Alferiev IS, Mönkkönen J, El Hanany-Rozen N, Weiss G, Stepensky D, Gati I, Cohen H, Törmälehto S, Amidon GL, Golomb G.: A peptide prodrug approach for improving bisphosphonate oral absorption. J Med Chem, Volume 43 (20), 2000";ChEMBL
MM475712;MM475712;Cc1cc(=O)c2c(O)c3c(O)cc(O)c4c5c(O)cc(O)c6c(O)c7c(=O)cc(C)c8c1c2c(c34)c(c65)c78;;504.45;5.08;3663;;;CHEMBL286494;CACO;ECACO;25;0;"from A to B, <a href=https://www.ebi.ac.uk/chembl/assay_report_card/CHEMBL1120980/  target=_blank>CHEMBL1120980</a>";;;;;;;;;-6.6;;;;;;;;;;;;"Nahrstedt A, Butterweck V.: Lessons learned from herbal medicinal products: the example of St. John's Wort (perpendicular). J Nat Prod, Volume 73 (5), 2010";ChEMBL
MM475854;MM475854;Cc1ccc(N2CCN(C(=O)C3CN(C4CCOCC4)CC3c3ccc(Cl)cc3)CC2)c(C(N)C(C)C)c1;KHUSEOUYELGLMC-LXQNXJGFSA-N;539.16;4.85;24873537;;;CHEMBL391902;CACO;ECACO;25;0;"from A to B, <a href=https://www.ebi.ac.uk/chembl/assay_report_card/CHEMBL899946/  target=_blank>CHEMBL899946</a>";;;;;;;;;-6.1;;;;;;;;;;;;"Jiang W, Tran JA, Tucci FC, Fleck BA, Hoare SR, Markison S, Wen J, Chen CW, Marinkovic D, Arellano M, Foster AC, Chen C.: Synthesis and characterization of pyrrolidine derivatives as potent agonists of the human melanocortin-4 receptor. Bioorg Med Chem Lett, Volume 17 (23), 2007";ChEMBL
MM476036;MM476036;CC1NC(=O)C2CCCN2C(=O)C(CCCN=C(N)N)NC(=O)C(CCCCN)NC(=O)C(CCCCN)NC1=O;;580.74;-2.53;9851234;;;CHEMBL442674;CACO;ECACO;25;0;"from A to B, <a href=https://www.ebi.ac.uk/chembl/assay_report_card/CHEMBL971465/  target=_blank>CHEMBL971465</a>";;;;;;;;;-6.19;;;;;;;;;;;;"Fletcher JM, Hughes RA.: Modified low molecular weight cyclic peptides as mimetics of BDNF with improved potency, proteolytic stability and transmembrane passage in vitro. Bioorg Med Chem, Volume 17 (7), 2009";ChEMBL
MM476039;MM476039;COc1ccc2c(OC3CC4C(=O)NC5(C(=O)NS(=O)(=O)C6CC6)CC5C=CCCCCCNC(=O)N4C3)cc(-c3nccs3)nc2c1;YPCUHGLLUJBXAN-NWQREVQSSA-N;694.84;3.51;44589542;;;CHEMBL443727;CACO;ECACO;25;0;"from A to B, <a href=https://www.ebi.ac.uk/chembl/assay_report_card/CHEMBL943367/  target=_blank>CHEMBL943367</a>";;;;;;;;;-6.4;;;;;;;;;;;;"Vendeville S, Nilsson M, de Kock H, Lin TI, Antonov D, Classon B, Ayesa S, Ivanov V, Johansson PO, Kahnberg P, Eneroth A, Wikstrom K, Vrang L, Edlund M, Lindström S, Van de Vreken W, McGowan D, Tahri A, Hu L, Lenz O, Delouvroy F, Van Dooren M, Kindermans N, Surleraux D, Wigerinck P, Rosenquist A, Samuelsson B, Simmen K, Raboisson P.: Discovery of novel, potent and bioavailable proline-urea based macrocyclic HCV NS3/4A protease inhibitors. Bioorg Med Chem Lett, Volume 18 (23), 2008";ChEMBL
MM476044;MM476044;COc1ccc2c(OC3CC4C(=O)NC5(C(=O)NS(=O)(=O)C6CC6)CC5C=CCCCCCNC(=O)N4C3)cc(-c3nc(C(C)C)cs3)nc2c1Cl;NSICSOQWNRELKK-ZRLZNKEGSA-N;771.36;5.29;44589545;;;CHEMBL444708;CACO;ECACO;25;0;"from A to B, <a href=https://www.ebi.ac.uk/chembl/assay_report_card/CHEMBL943367/  target=_blank>CHEMBL943367</a>";;;;;;;;;-4.66;;;;;;;;;;;;"Vendeville S, Nilsson M, de Kock H, Lin TI, Antonov D, Classon B, Ayesa S, Ivanov V, Johansson PO, Kahnberg P, Eneroth A, Wikstrom K, Vrang L, Edlund M, Lindström S, Van de Vreken W, McGowan D, Tahri A, Hu L, Lenz O, Delouvroy F, Van Dooren M, Kindermans N, Surleraux D, Wigerinck P, Rosenquist A, Samuelsson B, Simmen K, Raboisson P.: Discovery of novel, potent and bioavailable proline-urea based macrocyclic HCV NS3/4A protease inhibitors. Bioorg Med Chem Lett, Volume 18 (23), 2008";ChEMBL
MM476057;MM476057;CCCCC(=O)NCCCCC1NC(=O)C2CCCN2C(=O)C(CCCN=C(N)N)NC(=O)C(CCCCN)NC(=O)C(CCCCN)NC1=O;;721.95;-1.07;44591759;;;CHEMBL448530;CACO;ECACO;25;0;"from A to B, <a href=https://www.ebi.ac.uk/chembl/assay_report_card/CHEMBL971465/  target=_blank>CHEMBL971465</a>";;;;;;;;;-6.03;;;;;;;;;;;;"Fletcher JM, Hughes RA.: Modified low molecular weight cyclic peptides as mimetics of BDNF with improved potency, proteolytic stability and transmembrane passage in vitro. Bioorg Med Chem, Volume 17 (7), 2009";ChEMBL
MM476144;MM476144;COc1ccc2c(OC3CC4C(=O)NC5(C(=O)NS(=O)(=O)C6(C)CC6)CC5C=CCCCCCNC(=O)N4C3)cc(-c3nc(C(C)C)cs3)nc2c1Cl;IHXGLDBKRROHDN-NBDVMRGUSA-N;785.39;5.68;44589547;;;CHEMBL489267;CACO;ECACO;25;0;"from A to B, <a href=https://www.ebi.ac.uk/chembl/assay_report_card/CHEMBL943367/  target=_blank>CHEMBL943367</a>";;;;;;;;;-4.54;;;;;;;;;;;;"Vendeville S, Nilsson M, de Kock H, Lin TI, Antonov D, Classon B, Ayesa S, Ivanov V, Johansson PO, Kahnberg P, Eneroth A, Wikstrom K, Vrang L, Edlund M, Lindström S, Van de Vreken W, McGowan D, Tahri A, Hu L, Lenz O, Delouvroy F, Van Dooren M, Kindermans N, Surleraux D, Wigerinck P, Rosenquist A, Samuelsson B, Simmen K, Raboisson P.: Discovery of novel, potent and bioavailable proline-urea based macrocyclic HCV NS3/4A protease inhibitors. Bioorg Med Chem Lett, Volume 18 (23), 2008";ChEMBL
MM476153;MM476153;CCCCCCCC(=O)NCCCCC1NC(=O)C2CCCN2C(=O)C(CCCN=C(N)N)NC(=O)C(CCCCN)NC(=O)C(CCCCN)NC1=O;;764.03;0.1;44591760;;;CHEMBL494498;CACO;ECACO;25;0;"from A to B, <a href=https://www.ebi.ac.uk/chembl/assay_report_card/CHEMBL971465/  target=_blank>CHEMBL971465</a>";;;;;;;;;-6.04;;;;;;;;;;;;"Fletcher JM, Hughes RA.: Modified low molecular weight cyclic peptides as mimetics of BDNF with improved potency, proteolytic stability and transmembrane passage in vitro. Bioorg Med Chem, Volume 17 (7), 2009";ChEMBL
MM476155;MM476155;CCN(CC)C(=O)Cc1cccc(NS(=O)(=O)c2cccc(Cl)c2C)n1;;395.91;3.26;11545694;;;CHEMBL495597;CACO;ECACO;25;0;"from A to B, <a href=https://www.ebi.ac.uk/chembl/assay_report_card/CHEMBL997249/  target=_blank>CHEMBL997249</a>";;;;;;;;;-4.7;;;;;;;;;;;;"Siu M, Johnson TO, Wang Y, Nair SK, Taylor WD, Cripps SJ, Matthews JJ, Edwards MP, Pauly TA, Ermolieff J, Castro A, Hosea NA, LaPaglia A, Fanjul AN, Vogel JE.: N-(Pyridin-2-yl) arylsulfonamide inhibitors of 11beta-hydroxysteroid dehydrogenase type 1: Discovery of PF-915275. Bioorg Med Chem Lett, Volume 19 (13), 2009";ChEMBL
MM476156;MM476156;CCCCC1NC(=O)C2CCCN2C(=O)C(CCCN=C(N)N)NC(=O)C(CCCCN)NC(=O)C(CCCCN)NC1=O;;622.82;-1.36;44591757;;;CHEMBL495689;CACO;ECACO;25;0;"from A to B, <a href=https://www.ebi.ac.uk/chembl/assay_report_card/CHEMBL971465/  target=_blank>CHEMBL971465</a>";;;;;;;;;-6.54;;;;;;;;;;;;"Fletcher JM, Hughes RA.: Modified low molecular weight cyclic peptides as mimetics of BDNF with improved potency, proteolytic stability and transmembrane passage in vitro. Bioorg Med Chem, Volume 17 (7), 2009";ChEMBL
MM476159;MM476159;Cc1cccc(NS(=O)(=O)c2cccc(Cl)c2C)n1;;296.78;3.15;44143306;;;CHEMBL496818;CACO;ECACO;25;0;"from A to B, <a href=https://www.ebi.ac.uk/chembl/assay_report_card/CHEMBL997249/  target=_blank>CHEMBL997249</a>";;;;;;;;;-4.44;;;;;;;;;;;;"Siu M, Johnson TO, Wang Y, Nair SK, Taylor WD, Cripps SJ, Matthews JJ, Edwards MP, Pauly TA, Ermolieff J, Castro A, Hosea NA, LaPaglia A, Fanjul AN, Vogel JE.: N-(Pyridin-2-yl) arylsulfonamide inhibitors of 11beta-hydroxysteroid dehydrogenase type 1: Discovery of PF-915275. Bioorg Med Chem Lett, Volume 19 (13), 2009";ChEMBL
MM476175;MM476175;COc1ccc2c(OC3CC4C(=O)NC5(C(=O)NS(=O)(=O)C6CC6)CC5C=CCCCCNC(=O)N4C3)cc(-c3nc(C(C)C)cs3)nc2c1;JCTLBSKLWYHRLE-WXEJIKOESA-N;722.89;4.25;44589541;;;CHEMBL500009;CACO;ECACO;25;0;"from A to B, <a href=https://www.ebi.ac.uk/chembl/assay_report_card/CHEMBL943367/  target=_blank>CHEMBL943367</a>";;;;;;;;;-5.52;;;;;;;;;;;;"Vendeville S, Nilsson M, de Kock H, Lin TI, Antonov D, Classon B, Ayesa S, Ivanov V, Johansson PO, Kahnberg P, Eneroth A, Wikstrom K, Vrang L, Edlund M, Lindström S, Van de Vreken W, McGowan D, Tahri A, Hu L, Lenz O, Delouvroy F, Van Dooren M, Kindermans N, Surleraux D, Wigerinck P, Rosenquist A, Samuelsson B, Simmen K, Raboisson P.: Discovery of novel, potent and bioavailable proline-urea based macrocyclic HCV NS3/4A protease inhibitors. Bioorg Med Chem Lett, Volume 18 (23), 2008";ChEMBL
MM476189;MM476189;COc1ccc2c(OC3CC4C(=O)NC5(C(=O)NS(=O)(=O)C6CC6)CC5C=CCCCCCNC(=O)N4C3)cc(-c3nc(C(C)C)cs3)nc2c1C;FVXYEHGHAUPGHN-AHGLLTTDSA-N;750.94;4.94;44589544;;;CHEMBL505440;CACO;ECACO;25;0;"from A to B, <a href=https://www.ebi.ac.uk/chembl/assay_report_card/CHEMBL943367/  target=_blank>CHEMBL943367</a>";;;;;;;;;-6.4;;;;;;;;;;;;"Vendeville S, Nilsson M, de Kock H, Lin TI, Antonov D, Classon B, Ayesa S, Ivanov V, Johansson PO, Kahnberg P, Eneroth A, Wikstrom K, Vrang L, Edlund M, Lindström S, Van de Vreken W, McGowan D, Tahri A, Hu L, Lenz O, Delouvroy F, Van Dooren M, Kindermans N, Surleraux D, Wigerinck P, Rosenquist A, Samuelsson B, Simmen K, Raboisson P.: Discovery of novel, potent and bioavailable proline-urea based macrocyclic HCV NS3/4A protease inhibitors. Bioorg Med Chem Lett, Volume 18 (23), 2008";ChEMBL
MM476192;MM476192;COc1ccc2c(OC3CC4C(=O)NC5(C(=O)NS(=O)(=O)C6(C)CC6)CC5C=CCCCCCNC(=O)N4C3)cc(-c3nc(C(C)C)cs3)nc2c1;TUCCGBYIAGIEQH-JQCZDYRQSA-N;750.94;5.03;25227514;;;CHEMBL506378;CACO;ECACO;25;0;"from A to B, <a href=https://www.ebi.ac.uk/chembl/assay_report_card/CHEMBL943367/  target=_blank>CHEMBL943367</a>";;;;;;;;;-4.52;;;;;;;;;;;;"Vendeville S, Nilsson M, de Kock H, Lin TI, Antonov D, Classon B, Ayesa S, Ivanov V, Johansson PO, Kahnberg P, Eneroth A, Wikstrom K, Vrang L, Edlund M, Lindström S, Van de Vreken W, McGowan D, Tahri A, Hu L, Lenz O, Delouvroy F, Van Dooren M, Kindermans N, Surleraux D, Wigerinck P, Rosenquist A, Samuelsson B, Simmen K, Raboisson P.: Discovery of novel, potent and bioavailable proline-urea based macrocyclic HCV NS3/4A protease inhibitors. Bioorg Med Chem Lett, Volume 18 (23), 2008";ChEMBL
MM476193;MM476193;COc1ccc2c(OC3CC4C(=O)NC5(C(=O)NS(=O)(=O)C6CC6)CC5C=CCCCCCNC(=O)N4C3)cc(-c3nc(C(C)C)cs3)nc2c1;FMBMILUSWDVMGF-XANICHIGSA-N;736.92;4.64;24771819;;;CHEMBL506515;CACO;ECACO;25;0;"from A to B, <a href=https://www.ebi.ac.uk/chembl/assay_report_card/CHEMBL943367/  target=_blank>CHEMBL943367</a>";;;;;;;;;-5;;;;;;;;;;;;"Vendeville S, Nilsson M, de Kock H, Lin TI, Antonov D, Classon B, Ayesa S, Ivanov V, Johansson PO, Kahnberg P, Eneroth A, Wikstrom K, Vrang L, Edlund M, Lindström S, Van de Vreken W, McGowan D, Tahri A, Hu L, Lenz O, Delouvroy F, Van Dooren M, Kindermans N, Surleraux D, Wigerinck P, Rosenquist A, Samuelsson B, Simmen K, Raboisson P.: Discovery of novel, potent and bioavailable proline-urea based macrocyclic HCV NS3/4A protease inhibitors. Bioorg Med Chem Lett, Volume 18 (23), 2008";ChEMBL
MM476233;MM476233;O=C(O)[C@H](Cc1ccccc1)NC(=O)[C@@H]1CCCN1;;262.31;0.55;;;;CHEMBL52922;CACO;ECACO;25;0;"from A to B, <a href=https://www.ebi.ac.uk/chembl/assay_report_card/CHEMBL633575/  target=_blank>CHEMBL633575</a>";;;;;;;;;-4.64;;;;;;;;;;;;"Ezra A, Hoffman A, Breuer E, Alferiev IS, Mönkkönen J, El Hanany-Rozen N, Weiss G, Stepensky D, Gati I, Cohen H, Törmälehto S, Amidon GL, Golomb G.: A peptide prodrug approach for improving bisphosphonate oral absorption. J Med Chem, Volume 43 (20), 2000";ChEMBL
MM476279;MM476279;Cc1c(CC(=O)O)c2cccnc2n1S(=O)(=O)c1ccc(F)c(C#N)c1;XRMUPVMLIVXXAW-UHFFFAOYSA-N;373.37;2.22;11494496;;;CHEMBL559044;CACO;ECACO;25;0;"from A to B, <a href=https://www.ebi.ac.uk/chembl/assay_report_card/CHEMBL1051064/  target=_blank>CHEMBL1051064</a>";;;;;;;;;-5.85;;;;;;;;;;;;"Sandham DA, Adcock C, Bala K, Barker L, Brown Z, Dubois G, Budd D, Cox B, Fairhurst RA, Furegati M, Leblanc C, Manini J, Profit R, Reilly J, Stringer R, Schmidt A, Turner KL, Watson SJ, Willis J, Williams G, Wilson C.: 7-Azaindole-3-acetic acid derivatives: potent and selective CRTh2 receptor antagonists. Bioorg Med Chem Lett, Volume 19 (16), 2009";ChEMBL
MM476281;MM476281;Cc1c(CC(=O)O)c2cccnc2n1S(=O)(=O)c1ccc(Cl)c(C#N)c1;;389.82;2.73;45273621;;;CHEMBL559316;CACO;ECACO;25;0;"from A to B, <a href=https://www.ebi.ac.uk/chembl/assay_report_card/CHEMBL1051064/  target=_blank>CHEMBL1051064</a>";;;;;;;;;-6;;;;;;;;;;;;"Sandham DA, Adcock C, Bala K, Barker L, Brown Z, Dubois G, Budd D, Cox B, Fairhurst RA, Furegati M, Leblanc C, Manini J, Profit R, Reilly J, Stringer R, Schmidt A, Turner KL, Watson SJ, Willis J, Williams G, Wilson C.: 7-Azaindole-3-acetic acid derivatives: potent and selective CRTh2 receptor antagonists. Bioorg Med Chem Lett, Volume 19 (16), 2009";ChEMBL
MM476289;MM476289;Cc1c(CC(=O)O)c2cccnc2n1S(=O)(=O)c1ccc(Cl)c(Cl)c1;;399.26;3.52;11675688;;;CHEMBL560279;CACO;ECACO;25;0;"from A to B, <a href=https://www.ebi.ac.uk/chembl/assay_report_card/CHEMBL1051064/  target=_blank>CHEMBL1051064</a>";;;;;;;;;-5.06;;;;;;;;;;;;"Sandham DA, Adcock C, Bala K, Barker L, Brown Z, Dubois G, Budd D, Cox B, Fairhurst RA, Furegati M, Leblanc C, Manini J, Profit R, Reilly J, Stringer R, Schmidt A, Turner KL, Watson SJ, Willis J, Williams G, Wilson C.: 7-Azaindole-3-acetic acid derivatives: potent and selective CRTh2 receptor antagonists. Bioorg Med Chem Lett, Volume 19 (16), 2009";ChEMBL
MM476298;MM476298;Cc1c(CC(=O)O)c2cccnc2n1S(=O)(=O)c1ccc(Cl)cc1;;364.81;2.86;11588648;;;CHEMBL561539;CACO;ECACO;25;0;"from A to B, <a href=https://www.ebi.ac.uk/chembl/assay_report_card/CHEMBL1051064/  target=_blank>CHEMBL1051064</a>";;;;;;;;;-5.05;;;;;;;;;;;;"Sandham DA, Adcock C, Bala K, Barker L, Brown Z, Dubois G, Budd D, Cox B, Fairhurst RA, Furegati M, Leblanc C, Manini J, Profit R, Reilly J, Stringer R, Schmidt A, Turner KL, Watson SJ, Willis J, Williams G, Wilson C.: 7-Azaindole-3-acetic acid derivatives: potent and selective CRTh2 receptor antagonists. Bioorg Med Chem Lett, Volume 19 (16), 2009";ChEMBL
MM476314;MM476314;Cc1c(CC(=O)O)c2cccnc2n1S(=O)(=O)c1ccc(F)c(F)c1;;366.35;2.49;11667741;;;CHEMBL563949;CACO;ECACO;25;0;"from A to B, <a href=https://www.ebi.ac.uk/chembl/assay_report_card/CHEMBL1051064/  target=_blank>CHEMBL1051064</a>";;;;;;;;;-5.02;;;;;;;;;;;;"Sandham DA, Adcock C, Bala K, Barker L, Brown Z, Dubois G, Budd D, Cox B, Fairhurst RA, Furegati M, Leblanc C, Manini J, Profit R, Reilly J, Stringer R, Schmidt A, Turner KL, Watson SJ, Willis J, Williams G, Wilson C.: 7-Azaindole-3-acetic acid derivatives: potent and selective CRTh2 receptor antagonists. Bioorg Med Chem Lett, Volume 19 (16), 2009";ChEMBL
MM476379;MM476379;O=C(O)Cc1sc(C(c2ccccc2)c2ccccc2)nc1-c1ccc(Cl)cc1;HIEUVNLETVQMHD-UHFFFAOYSA-N;419.93;6.27;11517351;;;CHEMBL590582;CACO;ECACO;25;0;"from A to B, <a href=https://www.ebi.ac.uk/chembl/assay_report_card/CHEMBL1066576/  target=_blank>CHEMBL1066576</a>";;;;;;;;;-5.59;;;;;;;;;;;;"Grimstrup M, Rist Ø, Receveur JM, Frimurer TM, Ulven T, Mathiesen JM, Kostenis E, Högberg T.: Novel selective thiazoleacetic acids as CRTH2 antagonists developed from in silico derived hits. Part 2. Bioorg Med Chem Lett, Volume 20 (3), 2010";ChEMBL
MM471076;MM471076;CN(C)C1CCN(C(=O)c2ccc(Cn3c(-c4ccccc4)nc4ccccc43)cc2)C1;UYKJSYAQDGARFD-UHFFFAOYSA-N;424.55;4.53;25032264;;;CHEMBL597879;CACO;ECACO;25;0;"from A to B, <a href=https://www.ebi.ac.uk/chembl/assay_report_card/CHEMBL1066417/  target=_blank>CHEMBL1066417</a>";;;;;;;;;-4.07;;;;;;;;;;;;"Cole DC, Gross JL, Comery TA, Aschmies S, Hirst WD, Kelley C, Kim JI, Kubek K, Ning X, Platt BJ, Robichaud AJ, Solvibile WR, Stock JR, Tawa G, Williams MJ, Ellingboe JW.: Benzimidazole- and indole-substituted 1,3'-bipyrrolidine benzamides as histamine H3 receptor antagonists. Bioorg Med Chem Lett, Volume 20 (3), 2010";ChEMBL
D-mannitol;MM00386;OCC(O)C(O)C(O)C(O)CO;FBPFZTCFMRRESA-KVTDHHQDSA-N;182.17;-3.59;6251;DB00742;MTL;CHEMBL689;CACO;ECACO;25;0;"from A to B, <a href=https://www.ebi.ac.uk/chembl/assay_report_card/CHEMBL633575/  target=_blank>CHEMBL633575</a>";;;;;;;;;-5.59;;;;;;;;;;;;"Ezra A, Hoffman A, Breuer E, Alferiev IS, Mönkkönen J, El Hanany-Rozen N, Weiss G, Stepensky D, Gati I, Cohen H, Törmälehto S, Amidon GL, Golomb G.: A peptide prodrug approach for improving bisphosphonate oral absorption. J Med Chem, Volume 43 (20), 2000";ChEMBL
MM476419;MM476419;NCCC(O)(P(=O)(O)O)P(=O)(O)O;;235.07;-1.66;;;;CHEMBL834;CACO;ECACO;25;0;"from A to B, <a href=https://www.ebi.ac.uk/chembl/assay_report_card/CHEMBL638029/  target=_blank>CHEMBL638029</a>";;;;;;;;;-6.3;;;;;;;;;;;;"Ezra A, Hoffman A, Breuer E, Alferiev IS, Mönkkönen J, El Hanany-Rozen N, Weiss G, Stepensky D, Gati I, Cohen H, Törmälehto S, Amidon GL, Golomb G.: A peptide prodrug approach for improving bisphosphonate oral absorption. J Med Chem, Volume 43 (20), 2000";ChEMBL
"Alendronate Sodium";MM17162;NCCCC(O)(P(=O)(O)O)P(=O)(O)O;OGSPWJRAVKPPFI-UHFFFAOYSA-N;249.1;-1.27;;;;CHEMBL870;CACO;ECACO;25;0;"from A to B, <a href=https://www.ebi.ac.uk/chembl/assay_report_card/CHEMBL638029/  target=_blank>CHEMBL638029</a>";;;;;;;;;-6.22;;;;;;;;;;;;"Ezra A, Hoffman A, Breuer E, Alferiev IS, Mönkkönen J, El Hanany-Rozen N, Weiss G, Stepensky D, Gati I, Cohen H, Törmälehto S, Amidon GL, Golomb G.: A peptide prodrug approach for improving bisphosphonate oral absorption. J Med Chem, Volume 43 (20), 2000";ChEMBL
MM475712;MM475712;Cc1cc(=O)c2c(O)c3c(O)cc(O)c4c5c(O)cc(O)c6c(O)c7c(=O)cc(C)c8c1c2c(c34)c(c65)c78;;504.45;5.08;3663;;;CHEMBL286494;CACO;ECACO;25;0;"from B to A, <a href=https://www.ebi.ac.uk/chembl/assay_report_card/CHEMBL1120981/  target=_blank>CHEMBL1120981</a>";;;;;;;;;-4.92;;;;;;;;;;;;"Nahrstedt A, Butterweck V.: Lessons learned from herbal medicinal products: the example of St. John's Wort (perpendicular). J Nat Prod, Volume 73 (5), 2010";ChEMBL
MM476155;MM476155;CCN(CC)C(=O)Cc1cccc(NS(=O)(=O)c2cccc(Cl)c2C)n1;;395.91;3.26;11545694;;;CHEMBL495597;CACO;ECACO;25;0;"from B to A, <a href=https://www.ebi.ac.uk/chembl/assay_report_card/CHEMBL997250/  target=_blank>CHEMBL997250</a>";;;;;;;;;-4.92;;;;;;;;;;;;"Siu M, Johnson TO, Wang Y, Nair SK, Taylor WD, Cripps SJ, Matthews JJ, Edwards MP, Pauly TA, Ermolieff J, Castro A, Hosea NA, LaPaglia A, Fanjul AN, Vogel JE.: N-(Pyridin-2-yl) arylsulfonamide inhibitors of 11beta-hydroxysteroid dehydrogenase type 1: Discovery of PF-915275. Bioorg Med Chem Lett, Volume 19 (13), 2009";ChEMBL
MM476159;MM476159;Cc1cccc(NS(=O)(=O)c2cccc(Cl)c2C)n1;;296.78;3.15;44143306;;;CHEMBL496818;CACO;ECACO;25;0;"from B to A, <a href=https://www.ebi.ac.uk/chembl/assay_report_card/CHEMBL997250/  target=_blank>CHEMBL997250</a>";;;;;;;;;-4.34;;;;;;;;;;;;"Siu M, Johnson TO, Wang Y, Nair SK, Taylor WD, Cripps SJ, Matthews JJ, Edwards MP, Pauly TA, Ermolieff J, Castro A, Hosea NA, LaPaglia A, Fanjul AN, Vogel JE.: N-(Pyridin-2-yl) arylsulfonamide inhibitors of 11beta-hydroxysteroid dehydrogenase type 1: Discovery of PF-915275. Bioorg Med Chem Lett, Volume 19 (13), 2009";ChEMBL
MM476233;MM476233;O=C(O)[C@H](Cc1ccccc1)NC(=O)[C@@H]1CCCN1;;262.31;0.55;;;;CHEMBL52922;CACO;ECACO;25;0;"from B to A, <a href=https://www.ebi.ac.uk/chembl/assay_report_card/CHEMBL638031/  target=_blank>CHEMBL638031</a>";;;;;;;;;-4.94;;;;;;;;;;;;"Ezra A, Hoffman A, Breuer E, Alferiev IS, Mönkkönen J, El Hanany-Rozen N, Weiss G, Stepensky D, Gati I, Cohen H, Törmälehto S, Amidon GL, Golomb G.: A peptide prodrug approach for improving bisphosphonate oral absorption. J Med Chem, Volume 43 (20), 2000";ChEMBL
MM476281;MM476281;Cc1c(CC(=O)O)c2cccnc2n1S(=O)(=O)c1ccc(Cl)c(C#N)c1;;389.82;2.73;45273621;;;CHEMBL559316;CACO;ECACO;25;0;"from B to A, <a href=https://www.ebi.ac.uk/chembl/assay_report_card/CHEMBL1051065/  target=_blank>CHEMBL1051065</a>";;;;;;;;;-5.36;;;;;;;;;;;;"Sandham DA, Adcock C, Bala K, Barker L, Brown Z, Dubois G, Budd D, Cox B, Fairhurst RA, Furegati M, Leblanc C, Manini J, Profit R, Reilly J, Stringer R, Schmidt A, Turner KL, Watson SJ, Willis J, Williams G, Wilson C.: 7-Azaindole-3-acetic acid derivatives: potent and selective CRTh2 receptor antagonists. Bioorg Med Chem Lett, Volume 19 (16), 2009";ChEMBL
MM476289;MM476289;Cc1c(CC(=O)O)c2cccnc2n1S(=O)(=O)c1ccc(Cl)c(Cl)c1;;399.26;3.52;11675688;;;CHEMBL560279;CACO;ECACO;25;0;"from B to A, <a href=https://www.ebi.ac.uk/chembl/assay_report_card/CHEMBL1051065/  target=_blank>CHEMBL1051065</a>";;;;;;;;;-4.71;;;;;;;;;;;;"Sandham DA, Adcock C, Bala K, Barker L, Brown Z, Dubois G, Budd D, Cox B, Fairhurst RA, Furegati M, Leblanc C, Manini J, Profit R, Reilly J, Stringer R, Schmidt A, Turner KL, Watson SJ, Willis J, Williams G, Wilson C.: 7-Azaindole-3-acetic acid derivatives: potent and selective CRTh2 receptor antagonists. Bioorg Med Chem Lett, Volume 19 (16), 2009";ChEMBL
MM476298;MM476298;Cc1c(CC(=O)O)c2cccnc2n1S(=O)(=O)c1ccc(Cl)cc1;;364.81;2.86;11588648;;;CHEMBL561539;CACO;ECACO;25;0;"from B to A, <a href=https://www.ebi.ac.uk/chembl/assay_report_card/CHEMBL1051065/  target=_blank>CHEMBL1051065</a>";;;;;;;;;-4.95;;;;;;;;;;;;"Sandham DA, Adcock C, Bala K, Barker L, Brown Z, Dubois G, Budd D, Cox B, Fairhurst RA, Furegati M, Leblanc C, Manini J, Profit R, Reilly J, Stringer R, Schmidt A, Turner KL, Watson SJ, Willis J, Williams G, Wilson C.: 7-Azaindole-3-acetic acid derivatives: potent and selective CRTh2 receptor antagonists. Bioorg Med Chem Lett, Volume 19 (16), 2009";ChEMBL
MM476314;MM476314;Cc1c(CC(=O)O)c2cccnc2n1S(=O)(=O)c1ccc(F)c(F)c1;;366.35;2.49;11667741;;;CHEMBL563949;CACO;ECACO;25;0;"from B to A, <a href=https://www.ebi.ac.uk/chembl/assay_report_card/CHEMBL1051065/  target=_blank>CHEMBL1051065</a>";;;;;;;;;-5.06;;;;;;;;;;;;"Sandham DA, Adcock C, Bala K, Barker L, Brown Z, Dubois G, Budd D, Cox B, Fairhurst RA, Furegati M, Leblanc C, Manini J, Profit R, Reilly J, Stringer R, Schmidt A, Turner KL, Watson SJ, Willis J, Williams G, Wilson C.: 7-Azaindole-3-acetic acid derivatives: potent and selective CRTh2 receptor antagonists. Bioorg Med Chem Lett, Volume 19 (16), 2009";ChEMBL
D-mannitol;MM00386;OCC(O)C(O)C(O)C(O)CO;FBPFZTCFMRRESA-KVTDHHQDSA-N;182.17;-3.59;6251;DB00742;MTL;CHEMBL689;CACO;ECACO;25;0;"from B to A, <a href=https://www.ebi.ac.uk/chembl/assay_report_card/CHEMBL638031/  target=_blank>CHEMBL638031</a>";;;;;;;;;-5.66;;;;;;;;;;;;"Ezra A, Hoffman A, Breuer E, Alferiev IS, Mönkkönen J, El Hanany-Rozen N, Weiss G, Stepensky D, Gati I, Cohen H, Törmälehto S, Amidon GL, Golomb G.: A peptide prodrug approach for improving bisphosphonate oral absorption. J Med Chem, Volume 43 (20), 2000";ChEMBL
MM476419;MM476419;NCCC(O)(P(=O)(O)O)P(=O)(O)O;;235.07;-1.66;;;;CHEMBL834;CACO;ECACO;25;0;"from B to A, <a href=https://www.ebi.ac.uk/chembl/assay_report_card/CHEMBL638031/  target=_blank>CHEMBL638031</a>";;;;;;;;;-6.4;;;;;;;;;;;;"Ezra A, Hoffman A, Breuer E, Alferiev IS, Mönkkönen J, El Hanany-Rozen N, Weiss G, Stepensky D, Gati I, Cohen H, Törmälehto S, Amidon GL, Golomb G.: A peptide prodrug approach for improving bisphosphonate oral absorption. J Med Chem, Volume 43 (20), 2000";ChEMBL
"Alendronate Sodium";MM17162;NCCCC(O)(P(=O)(O)O)P(=O)(O)O;OGSPWJRAVKPPFI-UHFFFAOYSA-N;249.1;-1.27;;;;CHEMBL870;CACO;ECACO;25;0;"from B to A, <a href=https://www.ebi.ac.uk/chembl/assay_report_card/CHEMBL638031/  target=_blank>CHEMBL638031</a>";;;;;;;;;-6.22;;;;;;;;;;;;"Ezra A, Hoffman A, Breuer E, Alferiev IS, Mönkkönen J, El Hanany-Rozen N, Weiss G, Stepensky D, Gati I, Cohen H, Törmälehto S, Amidon GL, Golomb G.: A peptide prodrug approach for improving bisphosphonate oral absorption. J Med Chem, Volume 43 (20), 2000";ChEMBL
MM475332;MM475332;O=C(N[C@@H](Cc1ccccc1)C(=O)NCCC(O)(P(=O)(O)O)P(=O)(O)O)[C@@H]1CCCN1;;479.36;-1.03;;;;CHEMBL2028899;CACO;ECACO;25;0;"from B to A, mean logPerm value, <a href=https://www.ebi.ac.uk/chembl/assay_report_card/CHEMBL638031/  target=_blank>CHEMBL638031</a>";;;;;;;;;-5.72;;;;;;;;;;;;"Ezra A, Hoffman A, Breuer E, Alferiev IS, Mönkkönen J, El Hanany-Rozen N, Weiss G, Stepensky D, Gati I, Cohen H, Törmälehto S, Amidon GL, Golomb G.: A peptide prodrug approach for improving bisphosphonate oral absorption. J Med Chem, Volume 43 (20), 2000";ChEMBL
MM475333;MM475333;O=C(N[C@@H](Cc1ccccc1)C(=O)NCCCC(O)(P(=O)(O)O)P(=O)(O)O)[C@@H]1CCCN1;;493.39;-0.64;;;;CHEMBL2028900;CACO;ECACO;25;0;"from B to A, mean logPerm value, <a href=https://www.ebi.ac.uk/chembl/assay_report_card/CHEMBL638031/  target=_blank>CHEMBL638031</a>";;;;;;;;;-5.53;;;;;;;;;;;;"Ezra A, Hoffman A, Breuer E, Alferiev IS, Mönkkönen J, El Hanany-Rozen N, Weiss G, Stepensky D, Gati I, Cohen H, Törmälehto S, Amidon GL, Golomb G.: A peptide prodrug approach for improving bisphosphonate oral absorption. J Med Chem, Volume 43 (20), 2000";ChEMBL
MM475248;MM475248;C#CCC(C(=O)NC(C=CC(=O)OC1CCC1)CC1CCNC1=O)n1cccc(NC(=O)c2cc(C)on2)c1=O;NAAPUTBPXQUAAW-ZBVVWYEHSA-N;549.58;1.62;6478686;;;CHEMBL140274;CACO;ECACO;25;0;"from A to B, <a href=https://www.ebi.ac.uk/chembl/assay_report_card/CHEMBL655612/  target=_blank>CHEMBL655612</a>";;;;;;;;;-4.85;;;;;;;;;;;;"Dragovich PS, Prins TJ, Zhou R, Johnson TO, Hua Y, Luu HT, Sakata SK, Brown EL, Maldonado FC, Tuntland T, Lee CA, Fuhrman SA, Zalman LS, Patick AK, Matthews DA, Wu EY, Guo M, Borer BC, Nayyar NK, Moran T, Chen L, Rejto PA, Rose PW, Guzman MC, Dovalsantos EZ, Lee S, McGee K, Mohajeri M, Liese A, Tao J, Kosa MB, Liu B, Batugo MR, Gleeson JP, Wu ZP, Liu J, Meador JW, Ferre RA.: Structure-based design, synthesis, and biological evaluation of irreversible human rhinovirus 3C protease inhibitors. 8. Pharmacological optimization of orally bioavailable 2-pyridone-containing peptidomimetics. J Med Chem, Volume 46 (21), 2003";ChEMBL
MM475249;MM475249;CCC(C(=O)NC(C=CC(=O)OC1CCC1)CC1CCNC1=O)n1cccc(NC(=O)c2cc(C)on2)c1=O;FTLNYBZAZFDPEI-MYZOARMXSA-N;539.59;2.01;6478689;;;CHEMBL140398;CACO;ECACO;25;0;"from A to B, <a href=https://www.ebi.ac.uk/chembl/assay_report_card/CHEMBL655612/  target=_blank>CHEMBL655612</a>";;;;;;;;;-5;;;;;;;;;;;;"Dragovich PS, Prins TJ, Zhou R, Johnson TO, Hua Y, Luu HT, Sakata SK, Brown EL, Maldonado FC, Tuntland T, Lee CA, Fuhrman SA, Zalman LS, Patick AK, Matthews DA, Wu EY, Guo M, Borer BC, Nayyar NK, Moran T, Chen L, Rejto PA, Rose PW, Guzman MC, Dovalsantos EZ, Lee S, McGee K, Mohajeri M, Liese A, Tao J, Kosa MB, Liu B, Batugo MR, Gleeson JP, Wu ZP, Liu J, Meador JW, Ferre RA.: Structure-based design, synthesis, and biological evaluation of irreversible human rhinovirus 3C protease inhibitors. 8. Pharmacological optimization of orally bioavailable 2-pyridone-containing peptidomimetics. J Med Chem, Volume 46 (21), 2003";ChEMBL
MM475250;MM475250;C#CCC(C(=O)NC(C=CC(=O)OCc1ccccc1)CC1CCNC1=O)n1cccc(NC(=O)c2cc(C)on2)c1=O;OAMLXQDGOIMGAF-KRGVZGDRSA-N;585.62;2.27;6479024;;;CHEMBL140521;CACO;ECACO;25;0;"from A to B, <a href=https://www.ebi.ac.uk/chembl/assay_report_card/CHEMBL655612/  target=_blank>CHEMBL655612</a>";;;;;;;;;-4.74;;;;;;;;;;;;"Dragovich PS, Prins TJ, Zhou R, Johnson TO, Hua Y, Luu HT, Sakata SK, Brown EL, Maldonado FC, Tuntland T, Lee CA, Fuhrman SA, Zalman LS, Patick AK, Matthews DA, Wu EY, Guo M, Borer BC, Nayyar NK, Moran T, Chen L, Rejto PA, Rose PW, Guzman MC, Dovalsantos EZ, Lee S, McGee K, Mohajeri M, Liese A, Tao J, Kosa MB, Liu B, Batugo MR, Gleeson JP, Wu ZP, Liu J, Meador JW, Ferre RA.: Structure-based design, synthesis, and biological evaluation of irreversible human rhinovirus 3C protease inhibitors. 8. Pharmacological optimization of orally bioavailable 2-pyridone-containing peptidomimetics. J Med Chem, Volume 46 (21), 2003";ChEMBL
MM475251;MM475251;C#CCC(C(=O)NC(C=CC(=O)OCC)CC1CCNC1=O)n1cccc(NC(=O)c2cc(C)on2)c1=O;QCUZOJBYWQPLIN-BNMFZAHFSA-N;523.55;1.09;5280053;;;CHEMBL141157;CACO;ECACO;25;0;"from A to B, <a href=https://www.ebi.ac.uk/chembl/assay_report_card/CHEMBL655612/  target=_blank>CHEMBL655612</a>";;;;;;;;;-5.22;;;;;;;;;;;;"Dragovich PS, Prins TJ, Zhou R, Johnson TO, Hua Y, Luu HT, Sakata SK, Brown EL, Maldonado FC, Tuntland T, Lee CA, Fuhrman SA, Zalman LS, Patick AK, Matthews DA, Wu EY, Guo M, Borer BC, Nayyar NK, Moran T, Chen L, Rejto PA, Rose PW, Guzman MC, Dovalsantos EZ, Lee S, McGee K, Mohajeri M, Liese A, Tao J, Kosa MB, Liu B, Batugo MR, Gleeson JP, Wu ZP, Liu J, Meador JW, Ferre RA.: Structure-based design, synthesis, and biological evaluation of irreversible human rhinovirus 3C protease inhibitors. 8. Pharmacological optimization of orally bioavailable 2-pyridone-containing peptidomimetics. J Med Chem, Volume 46 (21), 2003";ChEMBL
MM475252;MM475252;CCOC(=O)C=CC(CC1CCNC1=O)NC(=O)C(CC)n1cccc(NC(=O)c2cc(C)on2)c1=O;ULUGRMVVZIBKKS-IAQSFYBOSA-N;513.55;1.48;6478675;;;CHEMBL141816;CACO;ECACO;25;0;"from A to B, <a href=https://www.ebi.ac.uk/chembl/assay_report_card/CHEMBL655612/  target=_blank>CHEMBL655612</a>";;;;;;;;;-5.3;;;;;;;;;;;;"Dragovich PS, Prins TJ, Zhou R, Johnson TO, Hua Y, Luu HT, Sakata SK, Brown EL, Maldonado FC, Tuntland T, Lee CA, Fuhrman SA, Zalman LS, Patick AK, Matthews DA, Wu EY, Guo M, Borer BC, Nayyar NK, Moran T, Chen L, Rejto PA, Rose PW, Guzman MC, Dovalsantos EZ, Lee S, McGee K, Mohajeri M, Liese A, Tao J, Kosa MB, Liu B, Batugo MR, Gleeson JP, Wu ZP, Liu J, Meador JW, Ferre RA.: Structure-based design, synthesis, and biological evaluation of irreversible human rhinovirus 3C protease inhibitors. 8. Pharmacological optimization of orally bioavailable 2-pyridone-containing peptidomimetics. J Med Chem, Volume 46 (21), 2003";ChEMBL
MM475253;MM475253;C#CCC(C(=O)NC(C=CC(=O)OC1CCCC1)CC1CCNC1=O)n1cccc(NC(=O)c2cc(C)on2)c1=O;GCPVVDXRFXFHGY-YIWALVRKSA-N;563.61;2.01;6479022;;;CHEMBL141919;CACO;ECACO;25;0;"from A to B, <a href=https://www.ebi.ac.uk/chembl/assay_report_card/CHEMBL655612/  target=_blank>CHEMBL655612</a>";;;;;;;;;-4.44;;;;;;;;;;;;"Dragovich PS, Prins TJ, Zhou R, Johnson TO, Hua Y, Luu HT, Sakata SK, Brown EL, Maldonado FC, Tuntland T, Lee CA, Fuhrman SA, Zalman LS, Patick AK, Matthews DA, Wu EY, Guo M, Borer BC, Nayyar NK, Moran T, Chen L, Rejto PA, Rose PW, Guzman MC, Dovalsantos EZ, Lee S, McGee K, Mohajeri M, Liese A, Tao J, Kosa MB, Liu B, Batugo MR, Gleeson JP, Wu ZP, Liu J, Meador JW, Ferre RA.: Structure-based design, synthesis, and biological evaluation of irreversible human rhinovirus 3C protease inhibitors. 8. Pharmacological optimization of orally bioavailable 2-pyridone-containing peptidomimetics. J Med Chem, Volume 46 (21), 2003";ChEMBL
MM475715;MM475715;Cc1cc(C(=O)Nc2cccn(C(Cc3ccc(F)c(F)c3)C(=O)NC(C=CC(=O)OC(C)C)CC3CCNC3=O)c2=O)no1;IDEQIHVMYCERBI-QNSPMPMTSA-N;625.63;2.98;6477671;;;CHEMBL291276;CACO;ECACO;25;0;"from A to B, <a href=https://www.ebi.ac.uk/chembl/assay_report_card/CHEMBL655612/  target=_blank>CHEMBL655612</a>";;;;;;;;;-4.44;;;;;;;;;;;;"Dragovich PS, Prins TJ, Zhou R, Johnson TO, Hua Y, Luu HT, Sakata SK, Brown EL, Maldonado FC, Tuntland T, Lee CA, Fuhrman SA, Zalman LS, Patick AK, Matthews DA, Wu EY, Guo M, Borer BC, Nayyar NK, Moran T, Chen L, Rejto PA, Rose PW, Guzman MC, Dovalsantos EZ, Lee S, McGee K, Mohajeri M, Liese A, Tao J, Kosa MB, Liu B, Batugo MR, Gleeson JP, Wu ZP, Liu J, Meador JW, Ferre RA.: Structure-based design, synthesis, and biological evaluation of irreversible human rhinovirus 3C protease inhibitors. 8. Pharmacological optimization of orally bioavailable 2-pyridone-containing peptidomimetics. J Med Chem, Volume 46 (21), 2003";ChEMBL
MM475716;MM475716;CCOC(=O)C=CC(CC1CCNC1=O)NC(=O)C(Cc1ccc(F)c(F)c1)n1cccc(NC(=O)c2cc(C)on2)c1=O;DMEUCWDOSVXQPQ-VVVXHSQNSA-N;611.6;2.59;6477670;;;CHEMBL291277;CACO;ECACO;25;0;"from A to B, <a href=https://www.ebi.ac.uk/chembl/assay_report_card/CHEMBL655612/  target=_blank>CHEMBL655612</a>";;;;;;;;;-4.46;;;;;;;;;;;;"Dragovich PS, Prins TJ, Zhou R, Johnson TO, Hua Y, Luu HT, Sakata SK, Brown EL, Maldonado FC, Tuntland T, Lee CA, Fuhrman SA, Zalman LS, Patick AK, Matthews DA, Wu EY, Guo M, Borer BC, Nayyar NK, Moran T, Chen L, Rejto PA, Rose PW, Guzman MC, Dovalsantos EZ, Lee S, McGee K, Mohajeri M, Liese A, Tao J, Kosa MB, Liu B, Batugo MR, Gleeson JP, Wu ZP, Liu J, Meador JW, Ferre RA.: Structure-based design, synthesis, and biological evaluation of irreversible human rhinovirus 3C protease inhibitors. 8. Pharmacological optimization of orally bioavailable 2-pyridone-containing peptidomimetics. J Med Chem, Volume 46 (21), 2003";ChEMBL
MM475757;MM475757;CCC(C(=O)NC(C=CC(=O)OCc1ccccc1)CC1CCNC1=O)n1cccc(NC(=O)c2cc(C)on2)c1=O;JCRZIFCWUXJHSS-CKQBFUQQSA-N;575.62;2.66;6478681;;;CHEMBL345023;CACO;ECACO;25;0;"from A to B, <a href=https://www.ebi.ac.uk/chembl/assay_report_card/CHEMBL655612/  target=_blank>CHEMBL655612</a>";;;;;;;;;-4.96;;;;;;;;;;;;"Dragovich PS, Prins TJ, Zhou R, Johnson TO, Hua Y, Luu HT, Sakata SK, Brown EL, Maldonado FC, Tuntland T, Lee CA, Fuhrman SA, Zalman LS, Patick AK, Matthews DA, Wu EY, Guo M, Borer BC, Nayyar NK, Moran T, Chen L, Rejto PA, Rose PW, Guzman MC, Dovalsantos EZ, Lee S, McGee K, Mohajeri M, Liese A, Tao J, Kosa MB, Liu B, Batugo MR, Gleeson JP, Wu ZP, Liu J, Meador JW, Ferre RA.: Structure-based design, synthesis, and biological evaluation of irreversible human rhinovirus 3C protease inhibitors. 8. Pharmacological optimization of orally bioavailable 2-pyridone-containing peptidomimetics. J Med Chem, Volume 46 (21), 2003";ChEMBL
MM475310;MM475310;COc1ccc(Cn2ccc(C)c(NC(=O)C(Cc3ccc(C(C)(C)C(=O)O)cc3)NC(=O)C(C)(C)c3ccc4ccccc4c3)c2=O)cc1;OGCLKLYODLMLLI-UUWRZZSWSA-N;673.81;6.37;10952498;;;CHEMBL1907668;CACO;ECACO;25;0;"from A to B, <a href=https://www.ebi.ac.uk/chembl/assay_report_card/CHEMBL638027/  target=_blank>CHEMBL638027</a>";;;;;;;;;-5.17;;;;;;;;;;;;"Proudfoot JR, Betageri R, Cardozo M, Gilmore TA, Glynn S, Hickey ER, Jakes S, Kabcenell A, Kirrane TM, Tibolla AK, Lukas S, Patel UR, Sharma R, Yazdanian M, Moss N, Beaulieu PL, Cameron DR, Ferland JM, Gauthier J, Gillard J, Gorys V, Poirier M, Rancourt J, Wernic D, Llinas-Brunet M.: Nonpeptidic, monocharged, cell permeable ligands for the p56lck SH2 domain. J Med Chem, Volume 44 (15), 2001";ChEMBL
MM475730;MM475730;COc1ccc(Cn2ccc(C)c(NC(=O)C(Cc3ccc(C(C)(C)C(=O)O)cc3)NC(=O)Cc3cccc4ccccc34)c2=O)cc1;;645.76;5.64;11006780;;;CHEMBL309855;CACO;ECACO;25;0;"from A to B, <a href=https://www.ebi.ac.uk/chembl/assay_report_card/CHEMBL634343/  target=_blank>CHEMBL634343</a>";;;;;;;;;-6.82;;;;;;;;;;;;"Proudfoot JR, Betageri R, Cardozo M, Gilmore TA, Glynn S, Hickey ER, Jakes S, Kabcenell A, Kirrane TM, Tibolla AK, Lukas S, Patel UR, Sharma R, Yazdanian M, Moss N, Beaulieu PL, Cameron DR, Ferland JM, Gauthier J, Gillard J, Gorys V, Poirier M, Rancourt J, Wernic D, Llinas-Brunet M.: Nonpeptidic, monocharged, cell permeable ligands for the p56lck SH2 domain. J Med Chem, Volume 44 (15), 2001";ChEMBL
MM475731;MM475731;COc1ccc(Cn2cccc(NC(=O)C(Cc3ccc(CC(=O)O)cc3)NC(=O)Cc3cccc4ccccc34)c2=O)cc1;OQQWRJKCOLLXFK-UHFFFAOYSA-N;603.68;4.59;44317836;;;CHEMBL312396;CACO;ECACO;25;0;"from A to B, <a href=https://www.ebi.ac.uk/chembl/assay_report_card/CHEMBL638027/  target=_blank>CHEMBL638027</a>";;;;;;;;;-6.35;;;;;;;;;;;;"Proudfoot JR, Betageri R, Cardozo M, Gilmore TA, Glynn S, Hickey ER, Jakes S, Kabcenell A, Kirrane TM, Tibolla AK, Lukas S, Patel UR, Sharma R, Yazdanian M, Moss N, Beaulieu PL, Cameron DR, Ferland JM, Gauthier J, Gillard J, Gorys V, Poirier M, Rancourt J, Wernic D, Llinas-Brunet M.: Nonpeptidic, monocharged, cell permeable ligands for the p56lck SH2 domain. J Med Chem, Volume 44 (15), 2001";ChEMBL
MM475977;MM475977;COc1ccc(Cn2ccc(C)c(NC(=O)[C@H](Cc3ccc(C(C)(C)C(=O)O)cc3)NC(=O)C(C)(C)c3ccc4ccccc4c3)c2=O)cc1;;673.81;6.37;;;;CHEMBL411464;CACO;ECACO;25;0;"from A to B, <a href=https://www.ebi.ac.uk/chembl/assay_report_card/CHEMBL638027/  target=_blank>CHEMBL638027</a>";;;;;;;;;-5.11;;;;;;;;;;;;"Proudfoot JR, Betageri R, Cardozo M, Gilmore TA, Glynn S, Hickey ER, Jakes S, Kabcenell A, Kirrane TM, Tibolla AK, Lukas S, Patel UR, Sharma R, Yazdanian M, Moss N, Beaulieu PL, Cameron DR, Ferland JM, Gauthier J, Gillard J, Gorys V, Poirier M, Rancourt J, Wernic D, Llinas-Brunet M.: Nonpeptidic, monocharged, cell permeable ligands for the p56lck SH2 domain. J Med Chem, Volume 44 (15), 2001";ChEMBL
MM476204;MM476204;COc1ccc(CNC(=O)C(CCC(=O)O)NC(=O)C(Cc2ccc(CC(=O)O)cc2)NC(=O)Cc2cccc3ccccc23)cc1;;639.71;3.41;10675602;;;CHEMBL50913;CACO;ECACO;25;0;"from A to B, <a href=https://www.ebi.ac.uk/chembl/assay_report_card/CHEMBL634343/  target=_blank>CHEMBL634343</a>";;;;;;;;;-7.4;;;;;;;;;;;;"Proudfoot JR, Betageri R, Cardozo M, Gilmore TA, Glynn S, Hickey ER, Jakes S, Kabcenell A, Kirrane TM, Tibolla AK, Lukas S, Patel UR, Sharma R, Yazdanian M, Moss N, Beaulieu PL, Cameron DR, Ferland JM, Gauthier J, Gillard J, Gorys V, Poirier M, Rancourt J, Wernic D, Llinas-Brunet M.: Nonpeptidic, monocharged, cell permeable ligands for the p56lck SH2 domain. J Med Chem, Volume 44 (15), 2001";ChEMBL
MM476414;MM476414;COc1ccc(Cn2ccc(C)c(NC(=O)C(Cc3ccc(CC(=O)O)cc3)NC(C)=O)c2=O)cc1;XBYUDNSCEDCXFW-UHFFFAOYSA-N;491.54;2.53;44318029;;;CHEMBL77676;CACO;ECACO;25;0;"from A to B, <a href=https://www.ebi.ac.uk/chembl/assay_report_card/CHEMBL634343/  target=_blank>CHEMBL634343</a>";;;;;;;;;-7;;;;;;;;;;;;"Proudfoot JR, Betageri R, Cardozo M, Gilmore TA, Glynn S, Hickey ER, Jakes S, Kabcenell A, Kirrane TM, Tibolla AK, Lukas S, Patel UR, Sharma R, Yazdanian M, Moss N, Beaulieu PL, Cameron DR, Ferland JM, Gauthier J, Gillard J, Gorys V, Poirier M, Rancourt J, Wernic D, Llinas-Brunet M.: Nonpeptidic, monocharged, cell permeable ligands for the p56lck SH2 domain. J Med Chem, Volume 44 (15), 2001";ChEMBL
MM476415;MM476415;COc1ccc(Cn2ccc(C)c(NC(=O)C(Cc3ccc(CC(=O)O)cc3)NC(=O)Cc3cccc4ccccc34)c2=O)cc1;;617.7;4.9;20674449;;;CHEMBL77967;CACO;ECACO;25;0;"from A to B, <a href=https://www.ebi.ac.uk/chembl/assay_report_card/CHEMBL634343/  target=_blank>CHEMBL634343</a>";;;;;;;;;-7.1;;;;;;;;;;;;"Proudfoot JR, Betageri R, Cardozo M, Gilmore TA, Glynn S, Hickey ER, Jakes S, Kabcenell A, Kirrane TM, Tibolla AK, Lukas S, Patel UR, Sharma R, Yazdanian M, Moss N, Beaulieu PL, Cameron DR, Ferland JM, Gauthier J, Gillard J, Gorys V, Poirier M, Rancourt J, Wernic D, Llinas-Brunet M.: Nonpeptidic, monocharged, cell permeable ligands for the p56lck SH2 domain. J Med Chem, Volume 44 (15), 2001";ChEMBL
MM476416;MM476416;COc1ccc(Cn2ccc(C)c(NC(=O)C(Cc3ccc(C(C)(C)C(=O)O)cc3)NC(=O)C(C)(C)c3cccc4ccccc34)c2=O)cc1;CYMQEBFIUQXEOJ-UHFFFAOYSA-N;673.81;6.37;44317838;;;CHEMBL78897;CACO;ECACO;25;0;"from A to B, <a href=https://www.ebi.ac.uk/chembl/assay_report_card/CHEMBL634343/  target=_blank>CHEMBL634343</a>";;;;;;;;;-5.21;;;;;;;;;;;;"Proudfoot JR, Betageri R, Cardozo M, Gilmore TA, Glynn S, Hickey ER, Jakes S, Kabcenell A, Kirrane TM, Tibolla AK, Lukas S, Patel UR, Sharma R, Yazdanian M, Moss N, Beaulieu PL, Cameron DR, Ferland JM, Gauthier J, Gillard J, Gorys V, Poirier M, Rancourt J, Wernic D, Llinas-Brunet M.: Nonpeptidic, monocharged, cell permeable ligands for the p56lck SH2 domain. J Med Chem, Volume 44 (15), 2001";ChEMBL
MM476418;MM476418;COc1ccc(Cn2ccc(C)c(NC(=O)C(Cc3ccc(C(C)(C)C(=O)O)cc3)NC(=O)Cc3ccc4ccccc4c3)c2=O)cc1;;645.76;5.64;11028669;;;CHEMBL79648;CACO;ECACO;25;0;"from A to B, <a href=https://www.ebi.ac.uk/chembl/assay_report_card/CHEMBL634343/  target=_blank>CHEMBL634343</a>";;;;;;;;;-6.72;;;;;;;;;;;;"Proudfoot JR, Betageri R, Cardozo M, Gilmore TA, Glynn S, Hickey ER, Jakes S, Kabcenell A, Kirrane TM, Tibolla AK, Lukas S, Patel UR, Sharma R, Yazdanian M, Moss N, Beaulieu PL, Cameron DR, Ferland JM, Gauthier J, Gillard J, Gorys V, Poirier M, Rancourt J, Wernic D, Llinas-Brunet M.: Nonpeptidic, monocharged, cell permeable ligands for the p56lck SH2 domain. J Med Chem, Volume 44 (15), 2001";ChEMBL
MM475266;MM475266;O=C(O)c1ccc(Cn2ccnc2)cc1;;202.21;1.63;10330479;;;CHEMBL160003;CACO;ECACO;25;0;"from A to B, <a href=https://www.ebi.ac.uk/chembl/assay_report_card/CHEMBL619361/  target=_blank>CHEMBL619361</a>";;;;;;;;;-6.17;;;;;;;;;;;;"Fichert T, Yazdanian M, Proudfoot JR.: A structure-permeability study of small drug-like molecules. Bioorg Med Chem Lett, Volume 13 (4), 2003";ChEMBL
MM475267;MM475267;O=S(=O)(O)c1ccc(Cn2cnc3ccccc32)cc1;ANPWOYMDYYBWCC-UHFFFAOYSA-N;288.33;2.33;44375750;;;CHEMBL162240;CACO;ECACO;25;0;"from A to B, <a href=https://www.ebi.ac.uk/chembl/assay_report_card/CHEMBL619361/  target=_blank>CHEMBL619361</a>";;;;;;;;;-7.1;;;;;;;;;;;;"Fichert T, Yazdanian M, Proudfoot JR.: A structure-permeability study of small drug-like molecules. Bioorg Med Chem Lett, Volume 13 (4), 2003";ChEMBL
MM475271;MM475271;O=C(O)c1cccc(Cn2cnc3ccccc32)c1;;252.27;2.78;24694701;;;CHEMBL163230;CACO;ECACO;25;0;"from A to B, <a href=https://www.ebi.ac.uk/chembl/assay_report_card/CHEMBL619361/  target=_blank>CHEMBL619361</a>";;;;;;;;;-5.81;;;;;;;;;;;;"Fichert T, Yazdanian M, Proudfoot JR.: A structure-permeability study of small drug-like molecules. Bioorg Med Chem Lett, Volume 13 (4), 2003";ChEMBL
MM475274;MM475274;c1ccc2c(c1)ncn2Cc1ccc(-c2nn[nH]n2)cc1;;276.3;2.26;44375921;;;CHEMBL163459;CACO;ECACO;25;0;"from A to B, <a href=https://www.ebi.ac.uk/chembl/assay_report_card/CHEMBL619361/  target=_blank>CHEMBL619361</a>";;;;;;;;;-6.96;;;;;;;;;;;;"Fichert T, Yazdanian M, Proudfoot JR.: A structure-permeability study of small drug-like molecules. Bioorg Med Chem Lett, Volume 13 (4), 2003";ChEMBL
MM475760;MM475760;c1cnc(Cc2cccc(-c3nn[nH]n3)c2)nc1;;238.25;1.25;44375542;;;CHEMBL347872;CACO;ECACO;25;0;"from A to B, <a href=https://www.ebi.ac.uk/chembl/assay_report_card/CHEMBL619361/  target=_blank>CHEMBL619361</a>";;;;;;;;;-6.89;;;;;;;;;;;;"Fichert T, Yazdanian M, Proudfoot JR.: A structure-permeability study of small drug-like molecules. Bioorg Med Chem Lett, Volume 13 (4), 2003";ChEMBL
MM475762;MM475762;c1ccc(-c2nn[nH]n2)c(Cn2cnc3ccccc32)c1;;276.3;2.26;44375923;;;CHEMBL349263;CACO;ECACO;25;0;"from A to B, <a href=https://www.ebi.ac.uk/chembl/assay_report_card/CHEMBL619361/  target=_blank>CHEMBL619361</a>";;;;;;;;;-6.89;;;;;;;;;;;;"Fichert T, Yazdanian M, Proudfoot JR.: A structure-permeability study of small drug-like molecules. Bioorg Med Chem Lett, Volume 13 (4), 2003";ChEMBL
MM475765;MM475765;N=C(N)c1cccc(Cc2ncccn2)c1;;212.26;1.35;44375938;;;CHEMBL350198;CACO;ECACO;25;0;"from A to B, <a href=https://www.ebi.ac.uk/chembl/assay_report_card/CHEMBL619361/  target=_blank>CHEMBL619361</a>";;;;;;;;;-6.66;;;;;;;;;;;;"Fichert T, Yazdanian M, Proudfoot JR.: A structure-permeability study of small drug-like molecules. Bioorg Med Chem Lett, Volume 13 (4), 2003";ChEMBL
MM475767;MM475767;O=C(O)c1cccc(Cn2ccnc2)c1;;202.21;1.63;6484269;;;CHEMBL351673;CACO;ECACO;25;0;"from A to B, <a href=https://www.ebi.ac.uk/chembl/assay_report_card/CHEMBL619361/  target=_blank>CHEMBL619361</a>";;;;;;;;;-6.19;;;;;;;;;;;;"Fichert T, Yazdanian M, Proudfoot JR.: A structure-permeability study of small drug-like molecules. Bioorg Med Chem Lett, Volume 13 (4), 2003";ChEMBL
MM475987;MM475987;c1cc(Cn2cnc3ccccc32)cc(-c2nn[nH]n2)c1;;276.3;2.26;44375922;;;CHEMBL423797;CACO;ECACO;25;0;"from A to B, <a href=https://www.ebi.ac.uk/chembl/assay_report_card/CHEMBL619361/  target=_blank>CHEMBL619361</a>";;;;;;;;;-6.85;;;;;;;;;;;;"Fichert T, Yazdanian M, Proudfoot JR.: A structure-permeability study of small drug-like molecules. Bioorg Med Chem Lett, Volume 13 (4), 2003";ChEMBL
MM475266;MM475266;O=C(O)c1ccc(Cn2ccnc2)cc1;;202.21;1.63;10330479;;;CHEMBL160003;CACO;ECACO;25;0;"from B to A, <a href=https://www.ebi.ac.uk/chembl/assay_report_card/CHEMBL619362/  target=_blank>CHEMBL619362</a>";;;;;;;;;-6.09;;;;;;;;;;;;"Fichert T, Yazdanian M, Proudfoot JR.: A structure-permeability study of small drug-like molecules. Bioorg Med Chem Lett, Volume 13 (4), 2003";ChEMBL
MM475271;MM475271;O=C(O)c1cccc(Cn2cnc3ccccc32)c1;;252.27;2.78;24694701;;;CHEMBL163230;CACO;ECACO;25;0;"from B to A, <a href=https://www.ebi.ac.uk/chembl/assay_report_card/CHEMBL619362/  target=_blank>CHEMBL619362</a>";;;;;;;;;-5.28;;;;;;;;;;;;"Fichert T, Yazdanian M, Proudfoot JR.: A structure-permeability study of small drug-like molecules. Bioorg Med Chem Lett, Volume 13 (4), 2003";ChEMBL
MM475274;MM475274;c1ccc2c(c1)ncn2Cc1ccc(-c2nn[nH]n2)cc1;;276.3;2.26;44375921;;;CHEMBL163459;CACO;ECACO;25;0;"from B to A, <a href=https://www.ebi.ac.uk/chembl/assay_report_card/CHEMBL619362/  target=_blank>CHEMBL619362</a>";;;;;;;;;-4.85;;;;;;;;;;;;"Fichert T, Yazdanian M, Proudfoot JR.: A structure-permeability study of small drug-like molecules. Bioorg Med Chem Lett, Volume 13 (4), 2003";ChEMBL
MM475760;MM475760;c1cnc(Cc2cccc(-c3nn[nH]n3)c2)nc1;;238.25;1.25;44375542;;;CHEMBL347872;CACO;ECACO;25;0;"from B to A, <a href=https://www.ebi.ac.uk/chembl/assay_report_card/CHEMBL619362/  target=_blank>CHEMBL619362</a>";;;;;;;;;-5.58;;;;;;;;;;;;"Fichert T, Yazdanian M, Proudfoot JR.: A structure-permeability study of small drug-like molecules. Bioorg Med Chem Lett, Volume 13 (4), 2003";ChEMBL
MM475762;MM475762;c1ccc(-c2nn[nH]n2)c(Cn2cnc3ccccc32)c1;;276.3;2.26;44375923;;;CHEMBL349263;CACO;ECACO;25;0;"from B to A, <a href=https://www.ebi.ac.uk/chembl/assay_report_card/CHEMBL619362/  target=_blank>CHEMBL619362</a>";;;;;;;;;-4.63;;;;;;;;;;;;"Fichert T, Yazdanian M, Proudfoot JR.: A structure-permeability study of small drug-like molecules. Bioorg Med Chem Lett, Volume 13 (4), 2003";ChEMBL
MM475765;MM475765;N=C(N)c1cccc(Cc2ncccn2)c1;;212.26;1.35;44375938;;;CHEMBL350198;CACO;ECACO;25;0;"from B to A, <a href=https://www.ebi.ac.uk/chembl/assay_report_card/CHEMBL619362/  target=_blank>CHEMBL619362</a>";;;;;;;;;-6.22;;;;;;;;;;;;"Fichert T, Yazdanian M, Proudfoot JR.: A structure-permeability study of small drug-like molecules. Bioorg Med Chem Lett, Volume 13 (4), 2003";ChEMBL
MM475767;MM475767;O=C(O)c1cccc(Cn2ccnc2)c1;;202.21;1.63;6484269;;;CHEMBL351673;CACO;ECACO;25;0;"from B to A, <a href=https://www.ebi.ac.uk/chembl/assay_report_card/CHEMBL619362/  target=_blank>CHEMBL619362</a>";;;;;;;;;-5.93;;;;;;;;;;;;"Fichert T, Yazdanian M, Proudfoot JR.: A structure-permeability study of small drug-like molecules. Bioorg Med Chem Lett, Volume 13 (4), 2003";ChEMBL
MM475987;MM475987;c1cc(Cn2cnc3ccccc32)cc(-c2nn[nH]n2)c1;;276.3;2.26;44375922;;;CHEMBL423797;CACO;ECACO;25;0;"from B to A, <a href=https://www.ebi.ac.uk/chembl/assay_report_card/CHEMBL619362/  target=_blank>CHEMBL619362</a>";;;;;;;;;-4.69;;;;;;;;;;;;"Fichert T, Yazdanian M, Proudfoot JR.: A structure-permeability study of small drug-like molecules. Bioorg Med Chem Lett, Volume 13 (4), 2003";ChEMBL
Metoprolol;MM00275;COCCc1ccc(OCC(O)CNC(C)C)cc1;IUBSYMUCCVWXPE-UHFFFAOYSA-N;267.37;1.61;4171;DB00264;;CHEMBL13;CACO;ECACO;25;0;"from A to B, <a href=https://www.ebi.ac.uk/chembl/assay_report_card/CHEMBL851908/  target=_blank>CHEMBL851908</a>";;;;;;;;;-4.04;;;;;;;;;;;;"Matsson P, Bergström CA, Nagahara N, Tavelin S, Norinder U, Artursson P.: Exploring the role of different drug transport routes in permeability screening. J Med Chem, Volume 48 (2), 2005";ChEMBL
MM470952;MM470952;CC(C)[C@H](N)C(=O)OCCOCn1cnc2c(=O)nc(N)[nH]c21;HDOVUKNUBWVHOX-QMMMGPOBSA-N;324.34;-0.8;;;;CHEMBL1349;CACO;ECACO;25;0;"from A to B, <a href=https://www.ebi.ac.uk/chembl/assay_report_card/CHEMBL851908/  target=_blank>CHEMBL851908</a>";;;;;;;;;-5.64;;;;;;;;;;;;"Matsson P, Bergström CA, Nagahara N, Tavelin S, Norinder U, Artursson P.: Exploring the role of different drug transport routes in permeability screening. J Med Chem, Volume 48 (2), 2005";ChEMBL
MM474759;MM474759;CN(C)C(=N)NC(=N)N;;129.17;-1.03;;;;CHEMBL1431;CACO;ECACO;25;0;"from A to B, <a href=https://www.ebi.ac.uk/chembl/assay_report_card/CHEMBL851908/  target=_blank>CHEMBL851908</a>";;;;;;;;;-6.18;;;;;;;;;;;;"Matsson P, Bergström CA, Nagahara N, Tavelin S, Norinder U, Artursson P.: Exploring the role of different drug transport routes in permeability screening. J Med Chem, Volume 48 (2), 2005";ChEMBL
MM474761;MM474761;O=c1[nH]cnc2c1ncn2[C@H]1CC[C@@H](CO)O1;;236.23;-0.21;;;;CHEMBL1460;CACO;ECACO;25;0;"from A to B, <a href=https://www.ebi.ac.uk/chembl/assay_report_card/CHEMBL851908/  target=_blank>CHEMBL851908</a>";;;;;;;;;-6.6;;;;;;;;;;;;"Matsson P, Bergström CA, Nagahara N, Tavelin S, Norinder U, Artursson P.: Exploring the role of different drug transport routes in permeability screening. J Med Chem, Volume 48 (2), 2005";ChEMBL
Digoxin;MM00357;CC1OC(OC2C(O)CC(OC3C(O)CC(OC4CCC5(C)C(CCC6C5CC(O)C5(C)C(C7=CC(=O)OC7)CCC65O)C4)OC3C)OC2C)CC(O)C1O;LTMHDMANZUZIPE-UHFFFAOYSA-N;780.95;2.22;2724385;DB00390;DGX;CHEMBL1751;CACO;ECACO;25;0;"from A to B, <a href=https://www.ebi.ac.uk/chembl/assay_report_card/CHEMBL851908/  target=_blank>CHEMBL851908</a>";;;;;;;;;-5.89;;;;;;;;;;;;"Matsson P, Bergström CA, Nagahara N, Tavelin S, Norinder U, Artursson P.: Exploring the role of different drug transport routes in permeability screening. J Med Chem, Volume 48 (2), 2005";ChEMBL
MM474758;MM474758;CN(CC(=O)O)C(=O)CN;;146.15;-1.51;;;;CHEMBL175737;CACO;ECACO;25;0;"from A to B, <a href=https://www.ebi.ac.uk/chembl/assay_report_card/CHEMBL851908/  target=_blank>CHEMBL851908</a>";;;;;;;;;-6.3;;;;;;;;;;;;"Matsson P, Bergström CA, Nagahara N, Tavelin S, Norinder U, Artursson P.: Exploring the role of different drug transport routes in permeability screening. J Med Chem, Volume 48 (2), 2005";ChEMBL
5-[2-(tert-butylamino)-1-hydroxyethyl]benzene-1,3-diol;MM00306;CC(C)(C)NCC(O)c1cc(O)cc(O)c1;XWTYSIMOBUGWOL-UHFFFAOYSA-N;225.29;1.52;5403;DB00871;;CHEMBL1760;CACO;ECACO;25;0;"from A to B, <a href=https://www.ebi.ac.uk/chembl/assay_report_card/CHEMBL851908/  target=_blank>CHEMBL851908</a>";;;;;;;;;-6.64;;;;;;;;;;;;"Matsson P, Bergström CA, Nagahara N, Tavelin S, Norinder U, Artursson P.: Exploring the role of different drug transport routes in permeability screening. J Med Chem, Volume 48 (2), 2005";ChEMBL
MM474760;MM474760;Nc1nc2c(ncn2C2CC(CO)C2CO)c(=O)[nH]1;;265.27;-1.14;135413519;;;CHEMBL23550;CACO;ECACO;25;0;"from A to B, <a href=https://www.ebi.ac.uk/chembl/assay_report_card/CHEMBL851908/  target=_blank>CHEMBL851908</a>";;;;;;;;;-6.06;;;;;;;;;;;;"Matsson P, Bergström CA, Nagahara N, Tavelin S, Norinder U, Artursson P.: Exploring the role of different drug transport routes in permeability screening. J Med Chem, Volume 48 (2), 2005";ChEMBL
Atenolol;MM00078;CC(C)NCC(O)COc1ccc(CC(N)=O)cc1;METKIMKYRPQLGS-GFCCVEGCSA-N;266.34;0.45;2249;DB00335;;CHEMBL24;CACO;ECACO;25;0;"from A to B, <a href=https://www.ebi.ac.uk/chembl/assay_report_card/CHEMBL851908/  target=_blank>CHEMBL851908</a>";;;;;;;;;-6;;;;;;;;;;;;"Matsson P, Bergström CA, Nagahara N, Tavelin S, Norinder U, Artursson P.: Exploring the role of different drug transport routes in permeability screening. J Med Chem, Volume 48 (2), 2005";ChEMBL
Sulpiride;MM00568;CCN1CCCC1CNC(=O)c1cc(S(N)(=O)=O)ccc1OC;BGRJTUBHPOOWDU-UHFFFAOYSA-N;341.43;0.56;5355;DB00391;;CHEMBL26;CACO;ECACO;25;0;"from A to B, <a href=https://www.ebi.ac.uk/chembl/assay_report_card/CHEMBL851908/  target=_blank>CHEMBL851908</a>";;;;;;;;;-6.68;;;;;;;;;;;;"Matsson P, Bergström CA, Nagahara N, Tavelin S, Norinder U, Artursson P.: Exploring the role of different drug transport routes in permeability screening. J Med Chem, Volume 48 (2), 2005";ChEMBL
Alprenolol;MM00440;C=CCc1ccccc1OCC(O)CNC(C)C;PAZJSJFMUHDSTF-CQSZACIVSA-N;249.35;2.15;2119;DB00866;;CHEMBL266195;CACO;ECACO;25;0;"from A to B, <a href=https://www.ebi.ac.uk/chembl/assay_report_card/CHEMBL851908/  target=_blank>CHEMBL851908</a>";;;;;;;;;-3.62;;;;;;;;;;;;"Matsson P, Bergström CA, Nagahara N, Tavelin S, Norinder U, Artursson P.: Exploring the role of different drug transport routes in permeability screening. J Med Chem, Volume 48 (2), 2005";ChEMBL
Propranolol;MM00085;CC(C)NCC(O)COc1cccc2ccccc12;AQHHHDLHHXJYJD-UHFFFAOYSA-N;259.35;2.58;4946;DB00571;;CHEMBL27;CACO;ECACO;25;0;"from A to B, <a href=https://www.ebi.ac.uk/chembl/assay_report_card/CHEMBL851908/  target=_blank>CHEMBL851908</a>";;;;;;;;;-3.69;;;;;;;;;;;;"Matsson P, Bergström CA, Nagahara N, Tavelin S, Norinder U, Artursson P.: Exploring the role of different drug transport routes in permeability screening. J Med Chem, Volume 48 (2), 2005";ChEMBL
Antipyrine;MM00333;Cc1cc(=O)n(-c2ccccc2)n1C;VEQOALNAAJBPNY-UHFFFAOYSA-N;188.23;1.48;2206;DB01435;;CHEMBL277474;CACO;ECACO;25;0;"from A to B, <a href=https://www.ebi.ac.uk/chembl/assay_report_card/CHEMBL851908/  target=_blank>CHEMBL851908</a>";;;;;;;;;-3.67;;;;;;;;;;;;"Matsson P, Bergström CA, Nagahara N, Tavelin S, Norinder U, Artursson P.: Exploring the role of different drug transport routes in permeability screening. J Med Chem, Volume 48 (2), 2005";ChEMBL
Cimetidine;MM00463;CN=C(NC#N)NCCSCc1nc[nH]c1C;AQIXAKUUQRKLND-UHFFFAOYSA-N;252.35;0.6;2756;DB00501;;CHEMBL30;CACO;ECACO;25;0;"from A to B, <a href=https://www.ebi.ac.uk/chembl/assay_report_card/CHEMBL851908/  target=_blank>CHEMBL851908</a>";;;;;;;;;-6.17;;;;;;;;;;;;"Matsson P, Bergström CA, Nagahara N, Tavelin S, Norinder U, Artursson P.: Exploring the role of different drug transport routes in permeability screening. J Med Chem, Volume 48 (2), 2005";ChEMBL
Methotrexate;MM00270;CN(Cc1cnc2nc(N)nc(N)c2n1)c1ccc(C(=O)NC(CCC(=O)O)C(=O)O)cc1;FBOZXECLQNJBKD-UHFFFAOYSA-N;454.45;0.27;126941;DB00563;MTX;CHEMBL34259;CACO;ECACO;25;0;"from A to B, <a href=https://www.ebi.ac.uk/chembl/assay_report_card/CHEMBL851908/  target=_blank>CHEMBL851908</a>";;;;;;;;;-7.52;;;;;;;;;;;;"Matsson P, Bergström CA, Nagahara N, Tavelin S, Norinder U, Artursson P.: Exploring the role of different drug transport routes in permeability screening. J Med Chem, Volume 48 (2), 2005";ChEMBL
Pindolol;MM00542;CC(C)NCC(O)COc1cccc2[nH]ccc12;JZQKKSLKJUAGIC-UHFFFAOYSA-N;248.33;1.91;4828;DB00960;;CHEMBL500;CACO;ECACO;25;0;"from A to B, <a href=https://www.ebi.ac.uk/chembl/assay_report_card/CHEMBL851908/  target=_blank>CHEMBL851908</a>";;;;;;;;;-4.26;;;;;;;;;;;;"Matsson P, Bergström CA, Nagahara N, Tavelin S, Norinder U, Artursson P.: Exploring the role of different drug transport routes in permeability screening. J Med Chem, Volume 48 (2), 2005";ChEMBL
Alfentanil;MM00439;CCC(=O)N(c1ccccc1)C1(COC)CCN(CCn2nnn(CC)c2=O)CC1;IDBPHNDTYPBSNI-UHFFFAOYSA-N;416.53;1.38;51263;DB00802;;CHEMBL634;CACO;ECACO;25;0;"from A to B, <a href=https://www.ebi.ac.uk/chembl/assay_report_card/CHEMBL851910/  target=_blank>CHEMBL851910</a>";;;;;;;;;-3.57;;;;;;;;;;;;"Matsson P, Bergström CA, Nagahara N, Tavelin S, Norinder U, Artursson P.: Exploring the role of different drug transport routes in permeability screening. J Med Chem, Volume 48 (2), 2005";ChEMBL
Nadolol;MM00525;CC(C)(C)NCC(O)COc1cccc2c1CC(O)C(O)C2;VWPOSFSPZNDTMJ-UHFFFAOYSA-N;309.41;0.63;4411;DB01203;;CHEMBL521606;CACO;ECACO;25;0;"from A to B, <a href=https://www.ebi.ac.uk/chembl/assay_report_card/CHEMBL851908/  target=_blank>CHEMBL851908</a>";;;;;;;;;-6.55;;;;;;;;;;;;"Matsson P, Bergström CA, Nagahara N, Tavelin S, Norinder U, Artursson P.: Exploring the role of different drug transport routes in permeability screening. J Med Chem, Volume 48 (2), 2005";ChEMBL
2-amino-3-methyl-4H-imidazol-5-one;MM00348;CN1CC(=O)N=C1N;DDRJAANPRJIHGJ-UHFFFAOYSA-N;113.12;-1.23;588;DB11846;;CHEMBL65567;CACO;ECACO;25;0;"from A to B, <a href=https://www.ebi.ac.uk/chembl/assay_report_card/CHEMBL851908/  target=_blank>CHEMBL851908</a>";;;;;;;;;-5.92;;;;;;;;;;;;"Matsson P, Bergström CA, Nagahara N, Tavelin S, Norinder U, Artursson P.: Exploring the role of different drug transport routes in permeability screening. J Med Chem, Volume 48 (2), 2005";ChEMBL
D-mannitol;MM00386;OCC(O)C(O)C(O)C(O)CO;FBPFZTCFMRRESA-KVTDHHQDSA-N;182.17;-3.59;6251;DB00742;MTL;CHEMBL689;CACO;ECACO;25;0;"from A to B, <a href=https://www.ebi.ac.uk/chembl/assay_report_card/CHEMBL851908/  target=_blank>CHEMBL851908</a>";;;;;;;;;-6.72;;;;;;;;;;;;"Matsson P, Bergström CA, Nagahara N, Tavelin S, Norinder U, Artursson P.: Exploring the role of different drug transport routes in permeability screening. J Med Chem, Volume 48 (2), 2005";ChEMBL
Metolazone;MM00390;Cc1ccccc1N1C(=O)c2cc(S(N)(=O)=O)c(Cl)cc2NC1C;AQCHWTWZEMGIFD-UHFFFAOYSA-N;365.84;2.71;4170;DB00524;;CHEMBL878;CACO;ECACO;25;0;"from A to B, <a href=https://www.ebi.ac.uk/chembl/assay_report_card/CHEMBL851908/  target=_blank>CHEMBL851908</a>";;;;;;;;;-5.37;;;;;;;;;;;;"Matsson P, Bergström CA, Nagahara N, Tavelin S, Norinder U, Artursson P.: Exploring the role of different drug transport routes in permeability screening. J Med Chem, Volume 48 (2), 2005";ChEMBL
MM475593;MM475593;Cc1nc2ccccc2n1Cc1ccc(C(=O)NC2CNCC2C(=O)NO)cc1;CHOIXTQDKMNYCU-FUHWJXTLSA-N;393.45;1.22;10135184;;;CHEMBL251867;CACO;ECACO;25;0;"from A to B, <a href=https://www.ebi.ac.uk/chembl/assay_report_card/CHEMBL946128/  target=_blank>CHEMBL946128</a>";;;;;;;;;-7;;;;;;;;;;;;"Ott GR, Asakawa N, Lu Z, Anand R, Liu RQ, Covington MB, Vaddi K, Qian M, Newton RC, Christ DD, Trzaskos JM, Duan JJ.: Potent, exceptionally selective, orally bioavailable inhibitors of TNF-alpha Converting Enzyme (TACE): novel 2-substituted-1H-benzo[d]imidazol-1-yl)methyl)benzamide P1' substituents. Bioorg Med Chem Lett, Volume 18 (5), 2008";ChEMBL
MM475594;MM475594;CC(C)c1nc2ccccc2n1Cc1ccc(C(=O)NC2CNCC2C(=O)NO)cc1;UCCRPMLKYDMJAV-PKOBYXMFSA-N;421.5;2.03;10295733;;;CHEMBL251868;CACO;ECACO;25;0;"from A to B, <a href=https://www.ebi.ac.uk/chembl/assay_report_card/CHEMBL946128/  target=_blank>CHEMBL946128</a>";;;;;;;;;-7;;;;;;;;;;;;"Ott GR, Asakawa N, Lu Z, Anand R, Liu RQ, Covington MB, Vaddi K, Qian M, Newton RC, Christ DD, Trzaskos JM, Duan JJ.: Potent, exceptionally selective, orally bioavailable inhibitors of TNF-alpha Converting Enzyme (TACE): novel 2-substituted-1H-benzo[d]imidazol-1-yl)methyl)benzamide P1' substituents. Bioorg Med Chem Lett, Volume 18 (5), 2008";ChEMBL
MM475599;MM475599;O=C(NC1CCCC1C(=O)NO)c1ccc(Cn2c(C3CC3)nc3ccccc32)cc1;FXFZIKOEGYQWSD-RBUKOAKNSA-N;418.5;3.37;10223774;;;CHEMBL252470;CACO;ECACO;25;0;"from A to B, <a href=https://www.ebi.ac.uk/chembl/assay_report_card/CHEMBL946128/  target=_blank>CHEMBL946128</a>";;;;;;;;;-5.7;;;;;;;;;;;;"Ott GR, Asakawa N, Lu Z, Anand R, Liu RQ, Covington MB, Vaddi K, Qian M, Newton RC, Christ DD, Trzaskos JM, Duan JJ.: Potent, exceptionally selective, orally bioavailable inhibitors of TNF-alpha Converting Enzyme (TACE): novel 2-substituted-1H-benzo[d]imidazol-1-yl)methyl)benzamide P1' substituents. Bioorg Med Chem Lett, Volume 18 (5), 2008";ChEMBL
MM475600;MM475600;C#CCN1CC(NC(=O)c2ccc(Cn3c(C(C)C)nc4ccccc43)cc2)C(C(=O)NO)C1;BYIUYAJXVDVGFA-RBBKRZOGSA-N;459.55;2.38;10139402;;;CHEMBL252480;CACO;ECACO;25;0;"from A to B, <a href=https://www.ebi.ac.uk/chembl/assay_report_card/CHEMBL946128/  target=_blank>CHEMBL946128</a>";;;;;;;;;-7;;;;;;;;;;;;"Ott GR, Asakawa N, Lu Z, Anand R, Liu RQ, Covington MB, Vaddi K, Qian M, Newton RC, Christ DD, Trzaskos JM, Duan JJ.: Potent, exceptionally selective, orally bioavailable inhibitors of TNF-alpha Converting Enzyme (TACE): novel 2-substituted-1H-benzo[d]imidazol-1-yl)methyl)benzamide P1' substituents. Bioorg Med Chem Lett, Volume 18 (5), 2008";ChEMBL
MM475601;MM475601;C#CCN1CC(NC(=O)c2ccc(Cn3c(C(C)(C)C)nc4ccccc43)cc2)C(C(=O)NO)C1;UVQRQVBDZDEEBU-RBBKRZOGSA-N;473.58;2.55;10277073;;;CHEMBL252481;CACO;ECACO;25;0;"from A to B, <a href=https://www.ebi.ac.uk/chembl/assay_report_card/CHEMBL946128/  target=_blank>CHEMBL946128</a>";;;;;;;;;-6.4;;;;;;;;;;;;"Ott GR, Asakawa N, Lu Z, Anand R, Liu RQ, Covington MB, Vaddi K, Qian M, Newton RC, Christ DD, Trzaskos JM, Duan JJ.: Potent, exceptionally selective, orally bioavailable inhibitors of TNF-alpha Converting Enzyme (TACE): novel 2-substituted-1H-benzo[d]imidazol-1-yl)methyl)benzamide P1' substituents. Bioorg Med Chem Lett, Volume 18 (5), 2008";ChEMBL
MM475602;MM475602;O=C(NC1CC2(CCCO2)CC1C(=O)NO)c1ccc(Cn2c(C3CC3)nc3ccccc32)cc1;OHKVFVLOLOFCQJ-ZVUIFXONSA-N;474.56;3.53;10277120;;;CHEMBL252677;CACO;ECACO;25;0;"from A to B, <a href=https://www.ebi.ac.uk/chembl/assay_report_card/CHEMBL946128/  target=_blank>CHEMBL946128</a>";;;;;;;;;-7;;;;;;;;;;;;"Ott GR, Asakawa N, Lu Z, Anand R, Liu RQ, Covington MB, Vaddi K, Qian M, Newton RC, Christ DD, Trzaskos JM, Duan JJ.: Potent, exceptionally selective, orally bioavailable inhibitors of TNF-alpha Converting Enzyme (TACE): novel 2-substituted-1H-benzo[d]imidazol-1-yl)methyl)benzamide P1' substituents. Bioorg Med Chem Lett, Volume 18 (5), 2008";ChEMBL
MM475603;MM475603;CC(C)(F)c1nc2ccccc2n1Cc1ccc(C(=O)NC2CC3(CCCO3)CC2C(=O)NO)cc1;BEHWVPRIGLRXIG-LPOPLRKUSA-N;494.57;3.85;10117481;;;CHEMBL252876;CACO;ECACO;25;0;"from A to B, <a href=https://www.ebi.ac.uk/chembl/assay_report_card/CHEMBL946128/  target=_blank>CHEMBL946128</a>";;;;;;;;;-5.62;;;;;;;;;;;;"Ott GR, Asakawa N, Lu Z, Anand R, Liu RQ, Covington MB, Vaddi K, Qian M, Newton RC, Christ DD, Trzaskos JM, Duan JJ.: Potent, exceptionally selective, orally bioavailable inhibitors of TNF-alpha Converting Enzyme (TACE): novel 2-substituted-1H-benzo[d]imidazol-1-yl)methyl)benzamide P1' substituents. Bioorg Med Chem Lett, Volume 18 (5), 2008";ChEMBL
MM475607;MM475607;CC(C)(F)c1nc2ccccc2n1Cc1ccc(C(=O)NC2CCOCC2C(=O)NO)cc1;NYOFYADPNAWQIO-ZWKOTPCHSA-N;454.5;2.93;25190501;;;CHEMBL253075;CACO;ECACO;25;0;"from A to B, <a href=https://www.ebi.ac.uk/chembl/assay_report_card/CHEMBL946128/  target=_blank>CHEMBL946128</a>";;;;;;;;;-6.52;;;;;;;;;;;;"Ott GR, Asakawa N, Lu Z, Anand R, Liu RQ, Covington MB, Vaddi K, Qian M, Newton RC, Christ DD, Trzaskos JM, Duan JJ.: Potent, exceptionally selective, orally bioavailable inhibitors of TNF-alpha Converting Enzyme (TACE): novel 2-substituted-1H-benzo[d]imidazol-1-yl)methyl)benzamide P1' substituents. Bioorg Med Chem Lett, Volume 18 (5), 2008";ChEMBL
MM475608;MM475608;CC(F)(F)c1nc2ccccc2n1Cc1ccc(C(=O)NC2CCOCC2C(=O)NO)cc1;QCELJPBZUJYPIW-DLBZAZTESA-N;458.47;2.84;25190502;;;CHEMBL253076;CACO;ECACO;25;0;"from A to B, <a href=https://www.ebi.ac.uk/chembl/assay_report_card/CHEMBL946128/  target=_blank>CHEMBL946128</a>";;;;;;;;;-6.15;;;;;;;;;;;;"Ott GR, Asakawa N, Lu Z, Anand R, Liu RQ, Covington MB, Vaddi K, Qian M, Newton RC, Christ DD, Trzaskos JM, Duan JJ.: Potent, exceptionally selective, orally bioavailable inhibitors of TNF-alpha Converting Enzyme (TACE): novel 2-substituted-1H-benzo[d]imidazol-1-yl)methyl)benzamide P1' substituents. Bioorg Med Chem Lett, Volume 18 (5), 2008";ChEMBL
MM475610;MM475610;O=C(NC1CCOCC1C(=O)NO)c1ccc(Cn2c(C(F)(F)F)nc3ccccc32)cc1;PGVYYPZKXKGBLD-JKSUJKDBSA-N;462.43;2.74;11294179;;;CHEMBL253275;CACO;ECACO;25;0;"from A to B, <a href=https://www.ebi.ac.uk/chembl/assay_report_card/CHEMBL946128/  target=_blank>CHEMBL946128</a>";;;;;;;;;-6.15;;;;;;;;;;;;"Ott GR, Asakawa N, Lu Z, Anand R, Liu RQ, Covington MB, Vaddi K, Qian M, Newton RC, Christ DD, Trzaskos JM, Duan JJ.: Potent, exceptionally selective, orally bioavailable inhibitors of TNF-alpha Converting Enzyme (TACE): novel 2-substituted-1H-benzo[d]imidazol-1-yl)methyl)benzamide P1' substituents. Bioorg Med Chem Lett, Volume 18 (5), 2008";ChEMBL
MM475611;MM475611;O=C(NC1COCC1C(=O)NO)c1ccc(Cn2c(C(F)(F)F)nc3ccccc32)cc1;JADBDFQEPJQPBJ-GOEBONIOSA-N;448.4;2.35;10275545;;;CHEMBL253276;CACO;ECACO;25;0;"from A to B, <a href=https://www.ebi.ac.uk/chembl/assay_report_card/CHEMBL946128/  target=_blank>CHEMBL946128</a>";;;;;;;;;-7;;;;;;;;;;;;"Ott GR, Asakawa N, Lu Z, Anand R, Liu RQ, Covington MB, Vaddi K, Qian M, Newton RC, Christ DD, Trzaskos JM, Duan JJ.: Potent, exceptionally selective, orally bioavailable inhibitors of TNF-alpha Converting Enzyme (TACE): novel 2-substituted-1H-benzo[d]imidazol-1-yl)methyl)benzamide P1' substituents. Bioorg Med Chem Lett, Volume 18 (5), 2008";ChEMBL
MM475618;MM475618;CSc1nc2ccccc2n1Cc1ccc(C(=O)NC2CNCC2C(=O)NO)cc1;XUGIQJJECDDGBH-DOTOQJQBSA-N;425.51;1.63;10273985;;;CHEMBL254722;CACO;ECACO;25;0;"from A to B, <a href=https://www.ebi.ac.uk/chembl/assay_report_card/CHEMBL946128/  target=_blank>CHEMBL946128</a>";;;;;;;;;-6.7;;;;;;;;;;;;"Ott GR, Asakawa N, Lu Z, Anand R, Liu RQ, Covington MB, Vaddi K, Qian M, Newton RC, Christ DD, Trzaskos JM, Duan JJ.: Potent, exceptionally selective, orally bioavailable inhibitors of TNF-alpha Converting Enzyme (TACE): novel 2-substituted-1H-benzo[d]imidazol-1-yl)methyl)benzamide P1' substituents. Bioorg Med Chem Lett, Volume 18 (5), 2008";ChEMBL
MM475946;MM475946;CSc1nc2ccccc2n1Cc1ccc(C(=O)NC2CN(C(=O)OC(C)(C)C)CC2C(=O)NO)cc1;SDNMPMDMJTYOAW-AZUAARDMSA-N;525.63;3.28;10186536;;;CHEMBL402436;CACO;ECACO;25;0;"from A to B, <a href=https://www.ebi.ac.uk/chembl/assay_report_card/CHEMBL946128/  target=_blank>CHEMBL946128</a>";;;;;;;;;-6.7;;;;;;;;;;;;"Ott GR, Asakawa N, Lu Z, Anand R, Liu RQ, Covington MB, Vaddi K, Qian M, Newton RC, Christ DD, Trzaskos JM, Duan JJ.: Potent, exceptionally selective, orally bioavailable inhibitors of TNF-alpha Converting Enzyme (TACE): novel 2-substituted-1H-benzo[d]imidazol-1-yl)methyl)benzamide P1' substituents. Bioorg Med Chem Lett, Volume 18 (5), 2008";ChEMBL
MM475951;MM475951;Cc1nc2ccccc2n1Cc1ccc(C(=O)NC2CN(C(=O)OC(C)(C)C)CC2C(=O)NO)cc1;WMWPLQAXVKBJIC-PZJWPPBQSA-N;493.56;2.86;10163627;;;CHEMBL403186;CACO;ECACO;25;0;"from A to B, <a href=https://www.ebi.ac.uk/chembl/assay_report_card/CHEMBL946128/  target=_blank>CHEMBL946128</a>";;;;;;;;;-7;;;;;;;;;;;;"Ott GR, Asakawa N, Lu Z, Anand R, Liu RQ, Covington MB, Vaddi K, Qian M, Newton RC, Christ DD, Trzaskos JM, Duan JJ.: Potent, exceptionally selective, orally bioavailable inhibitors of TNF-alpha Converting Enzyme (TACE): novel 2-substituted-1H-benzo[d]imidazol-1-yl)methyl)benzamide P1' substituents. Bioorg Med Chem Lett, Volume 18 (5), 2008";ChEMBL
MM475959;MM475959;CC(C)c1nc2ccccc2n1Cc1ccc(C(=O)NC2CCOCC2C(=O)NO)cc1;IYGKJIOIZXNZOC-RBUKOAKNSA-N;436.51;2.85;10160197;;;CHEMBL404010;CACO;ECACO;25;0;"from A to B, <a href=https://www.ebi.ac.uk/chembl/assay_report_card/CHEMBL946128/  target=_blank>CHEMBL946128</a>";;;;;;;;;-6.3;;;;;;;;;;;;"Ott GR, Asakawa N, Lu Z, Anand R, Liu RQ, Covington MB, Vaddi K, Qian M, Newton RC, Christ DD, Trzaskos JM, Duan JJ.: Potent, exceptionally selective, orally bioavailable inhibitors of TNF-alpha Converting Enzyme (TACE): novel 2-substituted-1H-benzo[d]imidazol-1-yl)methyl)benzamide P1' substituents. Bioorg Med Chem Lett, Volume 18 (5), 2008";ChEMBL
MM475964;MM475964;CC(C)c1nc2ccccc2n1Cc1ccc(C(=O)NC2CC3(CCCO3)CC2C(=O)NO)cc1;JFELXNYVJCRVPT-ZVUIFXONSA-N;476.58;3.77;10184071;;;CHEMBL404382;CACO;ECACO;25;0;"from A to B, <a href=https://www.ebi.ac.uk/chembl/assay_report_card/CHEMBL946128/  target=_blank>CHEMBL946128</a>";;;;;;;;;-7;;;;;;;;;;;;"Ott GR, Asakawa N, Lu Z, Anand R, Liu RQ, Covington MB, Vaddi K, Qian M, Newton RC, Christ DD, Trzaskos JM, Duan JJ.: Potent, exceptionally selective, orally bioavailable inhibitors of TNF-alpha Converting Enzyme (TACE): novel 2-substituted-1H-benzo[d]imidazol-1-yl)methyl)benzamide P1' substituents. Bioorg Med Chem Lett, Volume 18 (5), 2008";ChEMBL
MM475966;MM475966;CC(C)c1nc2ccccc2n1Cc1ccc(C(=O)NC2CCCC2C(=O)NO)cc1;XNUPVUIWOKTWNU-RBUKOAKNSA-N;420.51;3.61;10273657;;;CHEMBL404673;CACO;ECACO;25;0;"from A to B, <a href=https://www.ebi.ac.uk/chembl/assay_report_card/CHEMBL946128/  target=_blank>CHEMBL946128</a>";;;;;;;;;-7;;;;;;;;;;;;"Ott GR, Asakawa N, Lu Z, Anand R, Liu RQ, Covington MB, Vaddi K, Qian M, Newton RC, Christ DD, Trzaskos JM, Duan JJ.: Potent, exceptionally selective, orally bioavailable inhibitors of TNF-alpha Converting Enzyme (TACE): novel 2-substituted-1H-benzo[d]imidazol-1-yl)methyl)benzamide P1' substituents. Bioorg Med Chem Lett, Volume 18 (5), 2008";ChEMBL
MM476020;MM476020;CC(C)(C)c1nc2ccccc2n1Cc1ccc(C(=O)NC2CC3(CCCO3)CC2C(=O)NO)cc1;HTUGJHMFYMFUPL-IKCVQBBRSA-N;490.6;3.95;10228228;;;CHEMBL437407;CACO;ECACO;25;0;"from A to B, <a href=https://www.ebi.ac.uk/chembl/assay_report_card/CHEMBL946128/  target=_blank>CHEMBL946128</a>";;;;;;;;;-5.85;;;;;;;;;;;;"Ott GR, Asakawa N, Lu Z, Anand R, Liu RQ, Covington MB, Vaddi K, Qian M, Newton RC, Christ DD, Trzaskos JM, Duan JJ.: Potent, exceptionally selective, orally bioavailable inhibitors of TNF-alpha Converting Enzyme (TACE): novel 2-substituted-1H-benzo[d]imidazol-1-yl)methyl)benzamide P1' substituents. Bioorg Med Chem Lett, Volume 18 (5), 2008";ChEMBL
MM476056;MM476056;CC(C)c1nc2ccccc2n1Cc1ccc(C(=O)NC2CN(C(=O)OC(C)(C)C)CC2C(=O)NO)cc1;HWRTYSUSQVJAGF-RBBKRZOGSA-N;521.62;3.68;10208262;;;CHEMBL447787;CACO;ECACO;25;0;"from A to B, <a href=https://www.ebi.ac.uk/chembl/assay_report_card/CHEMBL946128/  target=_blank>CHEMBL946128</a>";;;;;;;;;-6.7;;;;;;;;;;;;"Ott GR, Asakawa N, Lu Z, Anand R, Liu RQ, Covington MB, Vaddi K, Qian M, Newton RC, Christ DD, Trzaskos JM, Duan JJ.: Potent, exceptionally selective, orally bioavailable inhibitors of TNF-alpha Converting Enzyme (TACE): novel 2-substituted-1H-benzo[d]imidazol-1-yl)methyl)benzamide P1' substituents. Bioorg Med Chem Lett, Volume 18 (5), 2008";ChEMBL
MM475409;MM475409;O=C(NC1(C(=O)NC(Cc2ccccc2)C(=O)NC2CCN(CC3CCOCC3)CC2)CCCC1)c1cc2ccccc2s1;MQKZHYSKRHHYHY-GDLZYMKVSA-N;616.83;4.68;23625179;;;CHEMBL220365;CACO;ECACO;25;0;"from A to B, <a href=https://www.ebi.ac.uk/chembl/assay_report_card/CHEMBL895362/  target=_blank>CHEMBL895362</a>";;;;;;;;;-5.07;;;;;;;;;;;;"Fedi V, Altamura M, Catalioto RM, Giannotti D, Giolitti A, Giuliani S, Guidi A, Harmat NJ, Lecci A, Meini S, Nannicini R, Pasqui F, Tramontana M, Triolo A, Maggi CA.: Discovery of a new series of potent and selective linear tachykinin NK2 receptor antagonists. J Med Chem, Volume 50 (20), 2007";ChEMBL
MM475520;MM475520;O=C(NC1(C(=O)NC(Cc2ccccc2)C(=O)NCCC(=O)N2CCN(CC3CCOCC3)CC2)CCCC1)c1cc2ccccc2s1;RFCWJFHIOFRISZ-SSEXGKCCSA-N;673.88;3.75;23626568;;;CHEMBL242619;CACO;ECACO;25;0;"from A to B, <a href=https://www.ebi.ac.uk/chembl/assay_report_card/CHEMBL895362/  target=_blank>CHEMBL895362</a>";;;;;;;;;-5.57;;;;;;;;;;;;"Fedi V, Altamura M, Catalioto RM, Giannotti D, Giolitti A, Giuliani S, Guidi A, Harmat NJ, Lecci A, Meini S, Nannicini R, Pasqui F, Tramontana M, Triolo A, Maggi CA.: Discovery of a new series of potent and selective linear tachykinin NK2 receptor antagonists. J Med Chem, Volume 50 (20), 2007";ChEMBL
MM475521;MM475521;CN1CCN(C(=O)CCNC(=O)C(Cc2ccccc2)NC(=O)C2(NC(=O)c3cc4ccccc4s3)CCCC2)CC1;DRZJIWHMRQXGEA-RUZDIDTESA-N;589.76;2.95;23626413;;;CHEMBL242625;CACO;ECACO;25;0;"from A to B, <a href=https://www.ebi.ac.uk/chembl/assay_report_card/CHEMBL895362/  target=_blank>CHEMBL895362</a>";;;;;;;;;-5.7;;;;;;;;;;;;"Fedi V, Altamura M, Catalioto RM, Giannotti D, Giolitti A, Giuliani S, Guidi A, Harmat NJ, Lecci A, Meini S, Nannicini R, Pasqui F, Tramontana M, Triolo A, Maggi CA.: Discovery of a new series of potent and selective linear tachykinin NK2 receptor antagonists. J Med Chem, Volume 50 (20), 2007";ChEMBL
MM475522;MM475522;O=C(NC1(C(=O)NC(Cc2ccccc2)C(=O)NCCCN2CCOCC2)CCCC1)c1cc2ccccc2s1;;562.74;3.51;10281234;;;CHEMBL242631;CACO;ECACO;25;0;"from A to B, <a href=https://www.ebi.ac.uk/chembl/assay_report_card/CHEMBL895362/  target=_blank>CHEMBL895362</a>";;;;;;;;;-5.05;;;;;;;;;;;;"Fedi V, Altamura M, Catalioto RM, Giannotti D, Giolitti A, Giuliani S, Guidi A, Harmat NJ, Lecci A, Meini S, Nannicini R, Pasqui F, Tramontana M, Triolo A, Maggi CA.: Discovery of a new series of potent and selective linear tachykinin NK2 receptor antagonists. J Med Chem, Volume 50 (20), 2007";ChEMBL
MM475527;MM475527;O=C(NC1(C(=O)NC(Cc2ccccc2)C(=O)NCC2CCN(CC3CCOCC3)CC2)CCCC1)c1cc2ccccc2s1;WSOXGASXRKLXAB-SSEXGKCCSA-N;630.86;4.93;23626743;;;CHEMBL243496;CACO;ECACO;25;0;"from A to B, <a href=https://www.ebi.ac.uk/chembl/assay_report_card/CHEMBL895362/  target=_blank>CHEMBL895362</a>";;;;;;;;;-5.19;;;;;;;;;;;;"Fedi V, Altamura M, Catalioto RM, Giannotti D, Giolitti A, Giuliani S, Guidi A, Harmat NJ, Lecci A, Meini S, Nannicini R, Pasqui F, Tramontana M, Triolo A, Maggi CA.: Discovery of a new series of potent and selective linear tachykinin NK2 receptor antagonists. J Med Chem, Volume 50 (20), 2007";ChEMBL
MM475528;MM475528;O=C(NC1(C(=O)NC(Cc2ccccc2)C(=O)NCCC2CCN(CC3CCOCC3)CC2)CCCC1)c1cc2ccccc2s1;OCWATCTYAJGRBW-WJOKGBTCSA-N;644.88;5.32;23625180;;;CHEMBL243497;CACO;ECACO;25;0;"from A to B, <a href=https://www.ebi.ac.uk/chembl/assay_report_card/CHEMBL895362/  target=_blank>CHEMBL895362</a>";;;;;;;;;-5.41;;;;;;;;;;;;"Fedi V, Altamura M, Catalioto RM, Giannotti D, Giolitti A, Giuliani S, Guidi A, Harmat NJ, Lecci A, Meini S, Nannicini R, Pasqui F, Tramontana M, Triolo A, Maggi CA.: Discovery of a new series of potent and selective linear tachykinin NK2 receptor antagonists. J Med Chem, Volume 50 (20), 2007";ChEMBL
MM475529;MM475529;O=C(NC1(C(=O)NC(Cc2ccccc2)C(=O)NCC2CCN(C3CCOCC3)CC2)CCCC1)c1cc2ccccc2s1;QBTIOECDQQPIDD-GDLZYMKVSA-N;616.83;4.68;23626744;;;CHEMBL243498;CACO;ECACO;25;0;"from A to B, <a href=https://www.ebi.ac.uk/chembl/assay_report_card/CHEMBL895362/  target=_blank>CHEMBL895362</a>";;;;;;;;;-5.8;;;;;;;;;;;;"Fedi V, Altamura M, Catalioto RM, Giannotti D, Giolitti A, Giuliani S, Guidi A, Harmat NJ, Lecci A, Meini S, Nannicini R, Pasqui F, Tramontana M, Triolo A, Maggi CA.: Discovery of a new series of potent and selective linear tachykinin NK2 receptor antagonists. J Med Chem, Volume 50 (20), 2007";ChEMBL
MM475535;MM475535;O=C(NC1(C(=O)NC(Cc2ccccc2)C(=O)NCC2CCN(CC3CCOCC3)CC2)CCCC1)c1cc2ccc(Br)cc2s1;GXMJPZKEIQCJRX-SSEXGKCCSA-N;709.75;5.69;11593070;;;CHEMBL244362;CACO;ECACO;25;0;"from A to B, <a href=https://www.ebi.ac.uk/chembl/assay_report_card/CHEMBL895362/  target=_blank>CHEMBL895362</a>";;;;;;;;;-6.1;;;;;;;;;;;;"Fedi V, Altamura M, Catalioto RM, Giannotti D, Giolitti A, Giuliani S, Guidi A, Harmat NJ, Lecci A, Meini S, Nannicini R, Pasqui F, Tramontana M, Triolo A, Maggi CA.: Discovery of a new series of potent and selective linear tachykinin NK2 receptor antagonists. J Med Chem, Volume 50 (20), 2007";ChEMBL
MM475536;MM475536;O=C(NC1(C(=O)NC(Cc2ccccc2)C(=O)NCCCN2CCOCC2)CCCC1)c1cc2cc(Cl)ccc2s1;DVEZRJMAJLAJHO-RUZDIDTESA-N;597.18;4.16;10232331;;;CHEMBL244364;CACO;ECACO;25;0;"from A to B, <a href=https://www.ebi.ac.uk/chembl/assay_report_card/CHEMBL895362/  target=_blank>CHEMBL895362</a>";;;;;;;;;-5.23;;;;;;;;;;;;"Fedi V, Altamura M, Catalioto RM, Giannotti D, Giolitti A, Giuliani S, Guidi A, Harmat NJ, Lecci A, Meini S, Nannicini R, Pasqui F, Tramontana M, Triolo A, Maggi CA.: Discovery of a new series of potent and selective linear tachykinin NK2 receptor antagonists. J Med Chem, Volume 50 (20), 2007";ChEMBL
MM475686;MM475686;Cc1ccc2cc(C(=O)NC3(C(=O)NC(Cc4ccccc4)C(=O)NCC4CCN(CC5CCOCC5)CC4)CCCC3)sc2c1;YQYSVMKCMIUCHY-WJOKGBTCSA-N;644.88;5.23;11527495;;;CHEMBL266125;CACO;ECACO;25;0;"from A to B, <a href=https://www.ebi.ac.uk/chembl/assay_report_card/CHEMBL895362/  target=_blank>CHEMBL895362</a>";;;;;;;;;-5.29;;;;;;;;;;;;"Fedi V, Altamura M, Catalioto RM, Giannotti D, Giolitti A, Giuliani S, Guidi A, Harmat NJ, Lecci A, Meini S, Nannicini R, Pasqui F, Tramontana M, Triolo A, Maggi CA.: Discovery of a new series of potent and selective linear tachykinin NK2 receptor antagonists. J Med Chem, Volume 50 (20), 2007";ChEMBL
MM475886;MM475886;O=C(NC1(C(=O)NC(Cc2ccccc2)C(=O)NCCCN2CCOCC2)CCCC1)c1sc2ccccc2c1Cl;VNAHOPJAVRNAKH-XMMPIXPASA-N;597.18;4.16;23625326;;;CHEMBL394543;CACO;ECACO;25;0;"from A to B, <a href=https://www.ebi.ac.uk/chembl/assay_report_card/CHEMBL895362/  target=_blank>CHEMBL895362</a>";;;;;;;;;-4.82;;;;;;;;;;;;"Fedi V, Altamura M, Catalioto RM, Giannotti D, Giolitti A, Giuliani S, Guidi A, Harmat NJ, Lecci A, Meini S, Nannicini R, Pasqui F, Tramontana M, Triolo A, Maggi CA.: Discovery of a new series of potent and selective linear tachykinin NK2 receptor antagonists. J Med Chem, Volume 50 (20), 2007";ChEMBL
MM475887;MM475887;O=C(NC1(C(=O)NC(Cc2ccccc2)C(=O)NCCC(=O)N2CCN(C3CCOCC3)CC2)CCCC1)c1cc2ccccc2s1;ASOICHOYACLMGC-GDLZYMKVSA-N;659.85;3.5;23626569;;;CHEMBL394607;CACO;ECACO;25;0;"from A to B, <a href=https://www.ebi.ac.uk/chembl/assay_report_card/CHEMBL895362/  target=_blank>CHEMBL895362</a>";;;;;;;;;-5.89;;;;;;;;;;;;"Fedi V, Altamura M, Catalioto RM, Giannotti D, Giolitti A, Giuliani S, Guidi A, Harmat NJ, Lecci A, Meini S, Nannicini R, Pasqui F, Tramontana M, Triolo A, Maggi CA.: Discovery of a new series of potent and selective linear tachykinin NK2 receptor antagonists. J Med Chem, Volume 50 (20), 2007";ChEMBL
MM475895;MM475895;O=C(NC1(C(=O)NC(Cc2ccccc2)C(=O)NCC2CCN(CC3CCOCC3)CC2)CCCC1)c1cc2ccc(F)cc2s1;HSUKCVLLCGNDMB-SSEXGKCCSA-N;648.85;5.07;23627058;;;CHEMBL395971;CACO;ECACO;25;0;"from A to B, <a href=https://www.ebi.ac.uk/chembl/assay_report_card/CHEMBL895362/  target=_blank>CHEMBL895362</a>";;;;;;;;;-6.52;;;;;;;;;;;;"Fedi V, Altamura M, Catalioto RM, Giannotti D, Giolitti A, Giuliani S, Guidi A, Harmat NJ, Lecci A, Meini S, Nannicini R, Pasqui F, Tramontana M, Triolo A, Maggi CA.: Discovery of a new series of potent and selective linear tachykinin NK2 receptor antagonists. J Med Chem, Volume 50 (20), 2007";ChEMBL
MM475896;MM475896;O=C(NC1(C(=O)NC(Cc2ccccc2)C(=O)NCC2CCN(CC3CCOCC3)CC2)CCCC1)c1cc2ccc(C(F)(F)F)cc2s1;APGKRIOUNGEFML-SSEXGKCCSA-N;698.85;5.95;23627059;;;CHEMBL395972;CACO;ECACO;25;0;"from A to B, <a href=https://www.ebi.ac.uk/chembl/assay_report_card/CHEMBL895362/  target=_blank>CHEMBL895362</a>";;;;;;;;;-5.19;;;;;;;;;;;;"Fedi V, Altamura M, Catalioto RM, Giannotti D, Giolitti A, Giuliani S, Guidi A, Harmat NJ, Lecci A, Meini S, Nannicini R, Pasqui F, Tramontana M, Triolo A, Maggi CA.: Discovery of a new series of potent and selective linear tachykinin NK2 receptor antagonists. J Med Chem, Volume 50 (20), 2007";ChEMBL
MM475897;MM475897;COc1ccc2cc(C(=O)NC3(C(=O)NC(Cc4ccccc4)C(=O)NCC4CCN(CC5CCOCC5)CC4)CCCC3)sc2c1;VSZDNTDZDVKZQL-WJOKGBTCSA-N;660.88;4.93;23627060;;;CHEMBL395973;CACO;ECACO;25;0;"from A to B, <a href=https://www.ebi.ac.uk/chembl/assay_report_card/CHEMBL895362/  target=_blank>CHEMBL895362</a>";;;;;;;;;-5.96;;;;;;;;;;;;"Fedi V, Altamura M, Catalioto RM, Giannotti D, Giolitti A, Giuliani S, Guidi A, Harmat NJ, Lecci A, Meini S, Nannicini R, Pasqui F, Tramontana M, Triolo A, Maggi CA.: Discovery of a new series of potent and selective linear tachykinin NK2 receptor antagonists. J Med Chem, Volume 50 (20), 2007";ChEMBL
MM475898;MM475898;CCN(CC)c1ccc2cc(C(=O)NC3(C(=O)NC(Cc4ccccc4)C(=O)NCC4CCN(CC5CCOCC5)CC4)CCCC3)sc2c1;XASFNZQMINANHS-UUWRZZSWSA-N;701.98;5.77;23627061;;;CHEMBL395974;CACO;ECACO;25;0;"from A to B, <a href=https://www.ebi.ac.uk/chembl/assay_report_card/CHEMBL895362/  target=_blank>CHEMBL895362</a>";;;;;;;;;-5;;;;;;;;;;;;"Fedi V, Altamura M, Catalioto RM, Giannotti D, Giolitti A, Giuliani S, Guidi A, Harmat NJ, Lecci A, Meini S, Nannicini R, Pasqui F, Tramontana M, Triolo A, Maggi CA.: Discovery of a new series of potent and selective linear tachykinin NK2 receptor antagonists. J Med Chem, Volume 50 (20), 2007";ChEMBL
MM475513;MM475513;CCCCCCCCCCC(N)C(=O)NC(CCCCCCCCCC)C(=O)NC(CCC(=O)O)C(=O)NC(Cc1c[nH]c2ccccc12)C(N)=O;OFDHYNAAFGPKGC-QSFUJLIQSA-N;727;5.9;23661723;;;CHEMBL240932;CACO;ECACO;25;0;"from A to B, <a href=https://www.ebi.ac.uk/chembl/assay_report_card/CHEMBL925032/  target=_blank>CHEMBL925032</a>";;;;;;;;;-5.51;;;;;;;;;;;;"Bergeon JA, Toth I.: Enhancement of oral drug absorption-effect of lipid conjugation on the enzymatic stability and intestinal permeability of l-Glu-l-Trp-NH(2). Bioorg Med Chem, Volume 15 (22), 2007";ChEMBL
MM475514;MM475514;CCCCCCCCCCC(NC(=O)C(N)CCC(=O)O)C(=O)NC(Cc1c[nH]c2ccccc12)C(N)=O;GZXFUPAPUZOJGI-LMOFDZDWSA-N;529.68;2.89;44437809;;;CHEMBL240937;CACO;ECACO;25;0;"from A to B, <a href=https://www.ebi.ac.uk/chembl/assay_report_card/CHEMBL925032/  target=_blank>CHEMBL925032</a>";;;;;;;;;-5.33;;;;;;;;;;;;"Bergeon JA, Toth I.: Enhancement of oral drug absorption-effect of lipid conjugation on the enzymatic stability and intestinal permeability of l-Glu-l-Trp-NH(2). Bioorg Med Chem, Volume 15 (22), 2007";ChEMBL
MM475516;MM475516;CCCCCCCCC(N)C(=O)NC(CCC(=O)O)C(=O)NC(Cc1c[nH]c2ccccc12)C(N)=O;KEJZGUPEPIHGEE-GFUWAVFVSA-N;501.63;2.11;44437801;;;CHEMBL241355;CACO;ECACO;25;0;"from A to B, <a href=https://www.ebi.ac.uk/chembl/assay_report_card/CHEMBL925032/  target=_blank>CHEMBL925032</a>";;;;;;;;;-5.81;;;;;;;;;;;;"Bergeon JA, Toth I.: Enhancement of oral drug absorption-effect of lipid conjugation on the enzymatic stability and intestinal permeability of l-Glu-l-Trp-NH(2). Bioorg Med Chem, Volume 15 (22), 2007";ChEMBL
MM475517;MM475517;CCCCCCCCCCC(N)C(=O)NC(CCC(=O)O)C(=O)NC(Cc1c[nH]c2ccccc12)C(N)=O;AEEKVRMUNAQUGF-BCXZNTRWSA-N;529.68;2.89;44437802;;;CHEMBL241356;CACO;ECACO;25;0;"from A to B, <a href=https://www.ebi.ac.uk/chembl/assay_report_card/CHEMBL925032/  target=_blank>CHEMBL925032</a>";;;;;;;;;-5.03;;;;;;;;;;;;"Bergeon JA, Toth I.: Enhancement of oral drug absorption-effect of lipid conjugation on the enzymatic stability and intestinal permeability of l-Glu-l-Trp-NH(2). Bioorg Med Chem, Volume 15 (22), 2007";ChEMBL
MM475688;MM475688;CCCCCCCCCCCCC(N)C(=O)NC(CCCCCCCCCCCC)C(=O)NC(CCC(=O)O)C(=O)NC(Cc1c[nH]c2ccccc12)C(N)=O;BDYDKWJZUKOHAF-MHHLJKJHSA-N;783.11;7.46;44437806;;;CHEMBL267378;CACO;ECACO;25;0;"from A to B, <a href=https://www.ebi.ac.uk/chembl/assay_report_card/CHEMBL925032/  target=_blank>CHEMBL925032</a>";;;;;;;;;-5.56;;;;;;;;;;;;"Bergeon JA, Toth I.: Enhancement of oral drug absorption-effect of lipid conjugation on the enzymatic stability and intestinal permeability of l-Glu-l-Trp-NH(2). Bioorg Med Chem, Volume 15 (22), 2007";ChEMBL
MM475866;MM475866;CCCCCCCCCCCCC(N)C(=O)NC(CCC(=O)O)C(=O)NC(Cc1c[nH]c2ccccc12)C(N)=O;QYBFUSDXWPHDEF-HUASTKEASA-N;557.74;3.67;44437803;;;CHEMBL392578;CACO;ECACO;25;0;"from A to B, <a href=https://www.ebi.ac.uk/chembl/assay_report_card/CHEMBL925032/  target=_blank>CHEMBL925032</a>";;;;;;;;;-5.99;;;;;;;;;;;;"Bergeon JA, Toth I.: Enhancement of oral drug absorption-effect of lipid conjugation on the enzymatic stability and intestinal permeability of l-Glu-l-Trp-NH(2). Bioorg Med Chem, Volume 15 (22), 2007";ChEMBL
MM475880;MM475880;CCCCCCC(N)C(=O)NC(CCC(=O)O)C(=O)NC(Cc1c[nH]c2ccccc12)C(N)=O;PROGFIIVHZJZAO-MFUMQWNRSA-N;473.57;1.33;44437800;;;CHEMBL393587;CACO;ECACO;25;0;"from A to B, <a href=https://www.ebi.ac.uk/chembl/assay_report_card/CHEMBL925032/  target=_blank>CHEMBL925032</a>";;;;;;;;;-5.31;;;;;;;;;;;;"Bergeon JA, Toth I.: Enhancement of oral drug absorption-effect of lipid conjugation on the enzymatic stability and intestinal permeability of l-Glu-l-Trp-NH(2). Bioorg Med Chem, Volume 15 (22), 2007";ChEMBL
MM475978;MM475978;NC(=O)C(Cc1c[nH]c2ccccc12)NC(=O)C(N)CCC(=O)O;SPXMJXWAOMWMKR-AAEUAGOBSA-N;332.36;-0.13;9949463;;;CHEMBL414590;CACO;ECACO;25;0;"from A to B, <a href=https://www.ebi.ac.uk/chembl/assay_report_card/CHEMBL925032/  target=_blank>CHEMBL925032</a>";;;;;;;;;-5.11;;;;;;;;;;;;"Bergeon JA, Toth I.: Enhancement of oral drug absorption-effect of lipid conjugation on the enzymatic stability and intestinal permeability of l-Glu-l-Trp-NH(2). Bioorg Med Chem, Volume 15 (22), 2007";ChEMBL
MM476019;MM476019;CCCCCCCCC(N)C(=O)NC(CCCCCCCC)C(=O)NC(CCC(=O)O)C(=O)NC(Cc1c[nH]c2ccccc12)C(N)=O;WKASDGWAADWFRL-NDJVGUIGSA-N;670.9;4.34;44437805;;;CHEMBL437378;CACO;ECACO;25;0;"from A to B, <a href=https://www.ebi.ac.uk/chembl/assay_report_card/CHEMBL925032/  target=_blank>CHEMBL925032</a>";;;;;;;;;-5.75;;;;;;;;;;;;"Bergeon JA, Toth I.: Enhancement of oral drug absorption-effect of lipid conjugation on the enzymatic stability and intestinal permeability of l-Glu-l-Trp-NH(2). Bioorg Med Chem, Volume 15 (22), 2007";ChEMBL
MM476023;MM476023;CCCCCCC(NC(=O)C(N)CCC(=O)O)C(=O)NC(Cc1c[nH]c2ccccc12)C(N)=O;WOWYTGIFFYBMBC-SPFPWHRZSA-N;473.57;1.33;44437807;;;CHEMBL438122;CACO;ECACO;25;0;"from A to B, <a href=https://www.ebi.ac.uk/chembl/assay_report_card/CHEMBL925032/  target=_blank>CHEMBL925032</a>";;;;;;;;;-5.42;;;;;;;;;;;;"Bergeon JA, Toth I.: Enhancement of oral drug absorption-effect of lipid conjugation on the enzymatic stability and intestinal permeability of l-Glu-l-Trp-NH(2). Bioorg Med Chem, Volume 15 (22), 2007";ChEMBL
MM476027;MM476027;CCCCCCC(N)C(=O)NC(CCCCCC)C(=O)NC(CCC(=O)O)C(=O)NC(Cc1c[nH]c2ccccc12)C(N)=O;KYEWSRJSGDYDNJ-JCRMAMAHSA-N;614.79;2.78;44437804;;;CHEMBL438854;CACO;ECACO;25;0;"from A to B, <a href=https://www.ebi.ac.uk/chembl/assay_report_card/CHEMBL925032/  target=_blank>CHEMBL925032</a>";;;;;;;;;-5.08;;;;;;;;;;;;"Bergeon JA, Toth I.: Enhancement of oral drug absorption-effect of lipid conjugation on the enzymatic stability and intestinal permeability of l-Glu-l-Trp-NH(2). Bioorg Med Chem, Volume 15 (22), 2007";ChEMBL
MM476031;MM476031;CCCCCCCCC(NC(=O)C(N)CCC(=O)O)C(=O)NC(Cc1c[nH]c2ccccc12)C(N)=O;CRZZUGFLFJSFTP-LLLPINGXSA-N;501.63;2.11;44437808;;;CHEMBL439385;CACO;ECACO;25;0;"from A to B, <a href=https://www.ebi.ac.uk/chembl/assay_report_card/CHEMBL925032/  target=_blank>CHEMBL925032</a>";;;;;;;;;-5.4;;;;;;;;;;;;"Bergeon JA, Toth I.: Enhancement of oral drug absorption-effect of lipid conjugation on the enzymatic stability and intestinal permeability of l-Glu-l-Trp-NH(2). Bioorg Med Chem, Volume 15 (22), 2007";ChEMBL
MM475230;MM475230;O=C(Nc1cc(C(F)(F)F)cc(C(F)(F)F)c1)c1cnc(Cl)nc1-c1cccs1;IAXBEEZQRRFFDT-UHFFFAOYSA-N;451.78;6.15;10813496;;;CHEMBL128599;CACO;ECACO;25;0;"from A to B, <a href=https://www.ebi.ac.uk/chembl/assay_report_card/CHEMBL633578/  target=_blank>CHEMBL633578</a>";;;;;;;;;-4.68;;;;;;;;;;;;"Palanki MS, Erdman PE, Gayo-Fung LM, Shevlin GI, Sullivan RW, Goldman ME, Ransone LJ, Bennett BL, Manning AM, Suto MJ.: Inhibitors of NF-kappaB and AP-1 gene expression: SAR studies on the pyrimidine portion of 2-chloro-4-trifluoromethylpyrimidine-5-[N-(3', 5'-bis(trifluoromethyl)phenyl)carboxamide]. J Med Chem, Volume 43 (21), 2000";ChEMBL
MM475233;MM475233;O=C(Nc1cc(C(F)(F)F)cc(C(F)(F)F)c1)c1cnc(F)nc1C(F)(F)F;UNFFMUXRKGUXDB-UHFFFAOYSA-N;421.19;4.92;10740841;;;CHEMBL131006;CACO;ECACO;25;0;"from A to B, <a href=https://www.ebi.ac.uk/chembl/assay_report_card/CHEMBL633578/  target=_blank>CHEMBL633578</a>";;;;;;;;;-4.72;;;;;;;;;;;;"Palanki MS, Erdman PE, Gayo-Fung LM, Shevlin GI, Sullivan RW, Goldman ME, Ransone LJ, Bennett BL, Manning AM, Suto MJ.: Inhibitors of NF-kappaB and AP-1 gene expression: SAR studies on the pyrimidine portion of 2-chloro-4-trifluoromethylpyrimidine-5-[N-(3', 5'-bis(trifluoromethyl)phenyl)carboxamide]. J Med Chem, Volume 43 (21), 2000";ChEMBL
MM475234;MM475234;Cc1nc(Cl)ncc1C(=O)Nc1cc(C(F)(F)F)cc(C(F)(F)F)c1;VORNGVYSIPQDMN-UHFFFAOYSA-N;383.68;4.73;10407641;;;CHEMBL132495;CACO;ECACO;25;0;"from A to B, <a href=https://www.ebi.ac.uk/chembl/assay_report_card/CHEMBL633578/  target=_blank>CHEMBL633578</a>";;;;;;;;;-4.21;;;;;;;;;;;;"Palanki MS, Erdman PE, Gayo-Fung LM, Shevlin GI, Sullivan RW, Goldman ME, Ransone LJ, Bennett BL, Manning AM, Suto MJ.: Inhibitors of NF-kappaB and AP-1 gene expression: SAR studies on the pyrimidine portion of 2-chloro-4-trifluoromethylpyrimidine-5-[N-(3', 5'-bis(trifluoromethyl)phenyl)carboxamide]. J Med Chem, Volume 43 (21), 2000";ChEMBL
MM475679;MM475679;CCCc1nc(Cl)ncc1C(=O)Nc1cc(C(F)(F)F)cc(C(F)(F)F)c1;DDFXQPHXKWGYEZ-UHFFFAOYSA-N;411.73;5.37;;;;;CACO;ECACO;25;0;"from A to B, <a href=https://www.ebi.ac.uk/chembl/assay_report_card/CHEMBL633578/  target=_blank>CHEMBL633578</a>";;;;;;;;;-4.51;;;;;;;;;;;;"Palanki MS, Erdman PE, Gayo-Fung LM, Shevlin GI, Sullivan RW, Goldman ME, Ransone LJ, Bennett BL, Manning AM, Suto MJ.: Inhibitors of NF-kappaB and AP-1 gene expression: SAR studies on the pyrimidine portion of 2-chloro-4-trifluoromethylpyrimidine-5-[N-(3', 5'-bis(trifluoromethyl)phenyl)carboxamide]. J Med Chem, Volume 43 (21), 2000";ChEMBL
MM475743;MM475743;O=C(Nc1cc(C(F)(F)F)cc(C(F)(F)F)c1)c1cnc(Cl)nc1C(F)(F)F;GHMKQBWHPQMXSH-UHFFFAOYSA-N;437.65;5.44;9910975;;;CHEMBL336546;CACO;ECACO;25;0;"from A to B, <a href=https://www.ebi.ac.uk/chembl/assay_report_card/CHEMBL633578/  target=_blank>CHEMBL633578</a>";;;;;;;;;-4.96;;;;;;;;;;;;"Palanki MS, Erdman PE, Gayo-Fung LM, Shevlin GI, Sullivan RW, Goldman ME, Ransone LJ, Bennett BL, Manning AM, Suto MJ.: Inhibitors of NF-kappaB and AP-1 gene expression: SAR studies on the pyrimidine portion of 2-chloro-4-trifluoromethylpyrimidine-5-[N-(3', 5'-bis(trifluoromethyl)phenyl)carboxamide]. J Med Chem, Volume 43 (21), 2000";ChEMBL
MM475746;MM475746;O=C(Nc1cc(C(F)(F)F)cc(C(F)(F)F)c1)c1cnc(Cl)nc1;HYVDSMGJEYQZQA-UHFFFAOYSA-N;369.65;4.42;10666813;;;CHEMBL337656;CACO;ECACO;25;0;"from A to B, <a href=https://www.ebi.ac.uk/chembl/assay_report_card/CHEMBL633578/  target=_blank>CHEMBL633578</a>";;;;;;;;;-4.21;;;;;;;;;;;;"Palanki MS, Erdman PE, Gayo-Fung LM, Shevlin GI, Sullivan RW, Goldman ME, Ransone LJ, Bennett BL, Manning AM, Suto MJ.: Inhibitors of NF-kappaB and AP-1 gene expression: SAR studies on the pyrimidine portion of 2-chloro-4-trifluoromethylpyrimidine-5-[N-(3', 5'-bis(trifluoromethyl)phenyl)carboxamide]. J Med Chem, Volume 43 (21), 2000";ChEMBL
MM475748;MM475748;CCc1nc(Cl)ncc1C(=O)Nc1cc(C(F)(F)F)cc(C(F)(F)F)c1;ODRMXBSDOYWKNE-UHFFFAOYSA-N;397.71;4.98;10787015;;;CHEMBL339462;CACO;ECACO;25;0;"from A to B, <a href=https://www.ebi.ac.uk/chembl/assay_report_card/CHEMBL633578/  target=_blank>CHEMBL633578</a>";;;;;;;;;-4.24;;;;;;;;;;;;"Palanki MS, Erdman PE, Gayo-Fung LM, Shevlin GI, Sullivan RW, Goldman ME, Ransone LJ, Bennett BL, Manning AM, Suto MJ.: Inhibitors of NF-kappaB and AP-1 gene expression: SAR studies on the pyrimidine portion of 2-chloro-4-trifluoromethylpyrimidine-5-[N-(3', 5'-bis(trifluoromethyl)phenyl)carboxamide]. J Med Chem, Volume 43 (21), 2000";ChEMBL
MM475749;MM475749;O=C(Nc1cc(C(F)(F)F)cc(C(F)(F)F)c1)c1cnc(Cl)nc1Cl;KHEXXENPPWDAHU-UHFFFAOYSA-N;404.1;5.07;10763720;;;CHEMBL340779;CACO;ECACO;25;0;"from A to B, <a href=https://www.ebi.ac.uk/chembl/assay_report_card/CHEMBL633578/  target=_blank>CHEMBL633578</a>";;;;;;;;;-4.51;;;;;;;;;;;;"Palanki MS, Erdman PE, Gayo-Fung LM, Shevlin GI, Sullivan RW, Goldman ME, Ransone LJ, Bennett BL, Manning AM, Suto MJ.: Inhibitors of NF-kappaB and AP-1 gene expression: SAR studies on the pyrimidine portion of 2-chloro-4-trifluoromethylpyrimidine-5-[N-(3', 5'-bis(trifluoromethyl)phenyl)carboxamide]. J Med Chem, Volume 43 (21), 2000";ChEMBL
MM475982;MM475982;O=C(Nc1cc(C(F)(F)F)cc(C(F)(F)F)c1)c1cnc(Cl)nc1C(F)(F)C(F)(F)F;XYMYOQHYWDKQLT-UHFFFAOYSA-N;487.66;6.07;10624842;;;CHEMBL421280;CACO;ECACO;25;0;"from A to B, <a href=https://www.ebi.ac.uk/chembl/assay_report_card/CHEMBL633578/  target=_blank>CHEMBL633578</a>";;;;;;;;;-5.05;;;;;;;;;;;;"Palanki MS, Erdman PE, Gayo-Fung LM, Shevlin GI, Sullivan RW, Goldman ME, Ransone LJ, Bennett BL, Manning AM, Suto MJ.: Inhibitors of NF-kappaB and AP-1 gene expression: SAR studies on the pyrimidine portion of 2-chloro-4-trifluoromethylpyrimidine-5-[N-(3', 5'-bis(trifluoromethyl)phenyl)carboxamide]. J Med Chem, Volume 43 (21), 2000";ChEMBL
MM475986;MM475986;O=C(Nc1cc(C(F)(F)F)cc(C(F)(F)F)c1)c1cnc(Cl)nc1-c1ccccc1;BFANKIPRJRXYSS-UHFFFAOYSA-N;445.75;6.09;10741998;;;CHEMBL423150;CACO;ECACO;25;0;"from A to B, <a href=https://www.ebi.ac.uk/chembl/assay_report_card/CHEMBL633578/  target=_blank>CHEMBL633578</a>";;;;;;;;;-5.05;;;;;;;;;;;;"Palanki MS, Erdman PE, Gayo-Fung LM, Shevlin GI, Sullivan RW, Goldman ME, Ransone LJ, Bennett BL, Manning AM, Suto MJ.: Inhibitors of NF-kappaB and AP-1 gene expression: SAR studies on the pyrimidine portion of 2-chloro-4-trifluoromethylpyrimidine-5-[N-(3', 5'-bis(trifluoromethyl)phenyl)carboxamide]. J Med Chem, Volume 43 (21), 2000";ChEMBL
MM475412;MM475412;CN(C)CCCN(c1ccncc1)c1ccc(-c2ccc3c(C(N)=O)nn(-c4ccc5onc(N)c5c4)c3c2F)c(F)c1;BSOGETFZKSQMJK-UHFFFAOYSA-N;582.62;5.28;;;;;CACO;ECACO;25;0;"from A to B, <a href=https://www.ebi.ac.uk/chembl/assay_report_card/CHEMBL926655/  target=_blank>CHEMBL926655</a>";;;;;;;;;-5.26;;;;;;;;;;;;"Lee YK, Parks DJ, Lu T, Thieu TV, Markotan T, Pan W, McComsey DF, Milkiewicz KL, Crysler CS, Ninan N, Abad MC, Giardino EC, Maryanoff BE, Damiano BP, Player MR.: 7-fluoroindazoles as potent and selective inhibitors of factor Xa. J Med Chem, Volume 51 (2), 2008";ChEMBL
MM475596;MM475596;CN(C)Cc1ccccc1-c1ccc(-c2ccc3c(C(N)=O)nn(-c4ccc5onc(N)c5c4)c3c2F)c(F)c1;QNAZSARXQYTHPS-UHFFFAOYSA-N;538.56;5.52;;;;;CACO;ECACO;25;0;"from A to B, <a href=https://www.ebi.ac.uk/chembl/assay_report_card/CHEMBL926655/  target=_blank>CHEMBL926655</a>";;;;;;;;;-5.42;;;;;;;;;;;;"Lee YK, Parks DJ, Lu T, Thieu TV, Markotan T, Pan W, McComsey DF, Milkiewicz KL, Crysler CS, Ninan N, Abad MC, Giardino EC, Maryanoff BE, Damiano BP, Player MR.: 7-fluoroindazoles as potent and selective inhibitors of factor Xa. J Med Chem, Volume 51 (2), 2008";ChEMBL
MM475622;MM475622;NC(=O)c1nn(-c2ccc3onc(N)c3c2)c2c(F)c(-c3ccc(N4CCCCC4=O)cc3F)ccc12;SSQLZVKKFYFNKQ-UHFFFAOYSA-N;502.48;4.31;;;;;CACO;ECACO;25;0;"from A to B, <a href=https://www.ebi.ac.uk/chembl/assay_report_card/CHEMBL926655/  target=_blank>CHEMBL926655</a>";;;;;;;;;-5.52;;;;;;;;;;;;"Lee YK, Parks DJ, Lu T, Thieu TV, Markotan T, Pan W, McComsey DF, Milkiewicz KL, Crysler CS, Ninan N, Abad MC, Giardino EC, Maryanoff BE, Damiano BP, Player MR.: 7-fluoroindazoles as potent and selective inhibitors of factor Xa. J Med Chem, Volume 51 (2), 2008";ChEMBL
MM475625;MM475625;CN(C)Cc1cnccc1-c1ccc(-c2ccc3c(C(N)=O)nn(-c4ccc5onc(N)c5c4)c3c2F)c(F)c1;MAQKQDYMLDYTKU-UHFFFAOYSA-N;539.55;4.92;;;;;CACO;ECACO;25;0;"from A to B, <a href=https://www.ebi.ac.uk/chembl/assay_report_card/CHEMBL926655/  target=_blank>CHEMBL926655</a>";;;;;;;;;-5.17;;;;;;;;;;;;"Lee YK, Parks DJ, Lu T, Thieu TV, Markotan T, Pan W, McComsey DF, Milkiewicz KL, Crysler CS, Ninan N, Abad MC, Giardino EC, Maryanoff BE, Damiano BP, Player MR.: 7-fluoroindazoles as potent and selective inhibitors of factor Xa. J Med Chem, Volume 51 (2), 2008";ChEMBL
MM475626;MM475626;CN(C)Cc1ncccc1-c1ccc(-c2ccc3c(C(N)=O)nn(-c4ccc5onc(N)c5c4)c3c2F)c(F)c1;FFFFWKNRTFCAMK-UHFFFAOYSA-N;539.55;4.92;;;;;CACO;ECACO;25;0;"from A to B, <a href=https://www.ebi.ac.uk/chembl/assay_report_card/CHEMBL926655/  target=_blank>CHEMBL926655</a>";;;;;;;;;-5.98;;;;;;;;;;;;"Lee YK, Parks DJ, Lu T, Thieu TV, Markotan T, Pan W, McComsey DF, Milkiewicz KL, Crysler CS, Ninan N, Abad MC, Giardino EC, Maryanoff BE, Damiano BP, Player MR.: 7-fluoroindazoles as potent and selective inhibitors of factor Xa. J Med Chem, Volume 51 (2), 2008";ChEMBL
MM475916;MM475916;CN(C)Cc1nccn1-c1ccc(-c2ccc3c(C(N)=O)nn(-c4ccc5onc(N)c5c4)c3c2F)c(F)c1;MGUDDBRJHXFTEY-UHFFFAOYSA-N;528.52;4.04;;;;;CACO;ECACO;25;0;"from A to B, <a href=https://www.ebi.ac.uk/chembl/assay_report_card/CHEMBL926655/  target=_blank>CHEMBL926655</a>";;;;;;;;;-5.69;;;;;;;;;;;;"Lee YK, Parks DJ, Lu T, Thieu TV, Markotan T, Pan W, McComsey DF, Milkiewicz KL, Crysler CS, Ninan N, Abad MC, Giardino EC, Maryanoff BE, Damiano BP, Player MR.: 7-fluoroindazoles as potent and selective inhibitors of factor Xa. J Med Chem, Volume 51 (2), 2008";ChEMBL
MM475917;MM475917;CN(C)Cc1[nH]ncc1-c1ccc(-c2ccc3c(C(N)=O)nn(-c4ccc5onc(N)c5c4)c3c2F)c(F)c1;WSQATAJBAWYABP-UHFFFAOYSA-N;528.52;4.24;;;;;CACO;ECACO;25;0;"from A to B, <a href=https://www.ebi.ac.uk/chembl/assay_report_card/CHEMBL926655/  target=_blank>CHEMBL926655</a>";;;;;;;;;-5.96;;;;;;;;;;;;"Lee YK, Parks DJ, Lu T, Thieu TV, Markotan T, Pan W, McComsey DF, Milkiewicz KL, Crysler CS, Ninan N, Abad MC, Giardino EC, Maryanoff BE, Damiano BP, Player MR.: 7-fluoroindazoles as potent and selective inhibitors of factor Xa. J Med Chem, Volume 51 (2), 2008";ChEMBL
MM475928;MM475928;CN(c1ccncc1)c1ccc(-c2ccc3c(C(N)=O)nn(-c4ccc5onc(N)c5c4)c3c2F)c(F)c1;BWRIUUBREKWKOF-UHFFFAOYSA-N;511.49;4.96;;;;;CACO;ECACO;25;0;"from A to B, <a href=https://www.ebi.ac.uk/chembl/assay_report_card/CHEMBL926655/  target=_blank>CHEMBL926655</a>";;;;;;;;;-5.85;;;;;;;;;;;;"Lee YK, Parks DJ, Lu T, Thieu TV, Markotan T, Pan W, McComsey DF, Milkiewicz KL, Crysler CS, Ninan N, Abad MC, Giardino EC, Maryanoff BE, Damiano BP, Player MR.: 7-fluoroindazoles as potent and selective inhibitors of factor Xa. J Med Chem, Volume 51 (2), 2008";ChEMBL
MM475356;MM475356;CN(C)Cc1nccn1-c1ccc(NC(=O)c2cc(C(F)(F)F)nn2-c2ccc3onc(N)c3c2)c(F)c1;;528.47;4.25;204102;;;CHEMBL206335;CACO;ECACO;25;0;"from A to B, mean logPerm value, <a href=https://www.ebi.ac.uk/chembl/assay_report_card/CHEMBL926655/  target=_blank>CHEMBL926655</a>";;;;;;;;;-5.48;;;;;;;;;;;;"Lee YK, Parks DJ, Lu T, Thieu TV, Markotan T, Pan W, McComsey DF, Milkiewicz KL, Crysler CS, Ninan N, Abad MC, Giardino EC, Maryanoff BE, Damiano BP, Player MR.: 7-fluoroindazoles as potent and selective inhibitors of factor Xa. J Med Chem, Volume 51 (2), 2008";ChEMBL
MM475223;MM475223;O=C1C(Cl)=C(Nc2ccc(CCO)cc2)C(=O)c2cnccc21;UBCDSJULIZVLAL-UHFFFAOYSA-N;328.76;2.56;24820287;;;CHEMBL11269;CACO;ECACO;25;0;"from A to B, <a href=https://www.ebi.ac.uk/chembl/assay_report_card/CHEMBL917818/  target=_blank>CHEMBL917818</a>";;;;;;;;;-4.75;;;;;;;;;;;;"Kim JS, Rhee HK, Park HJ, Lee IK, Lee SK, Suh ME, Lee HJ, Ryu CK, Choo HY.: Synthesis of 6-chloroisoquinoline-5,8-diones and pyrido[3,4-b]phenazine-5,12-diones and evaluation of their cytotoxicity and DNA topoisomerase II inhibitory activity. Bioorg Med Chem, Volume 15 (1), 2007";ChEMBL
MM475224;MM475224;COc1ccc(NC2=C(Cl)C(=O)c3ccncc3C2=O)cc1;DMRNLJKRCVCUHO-UHFFFAOYSA-N;314.73;3.03;10335823;;;CHEMBL11645;CACO;ECACO;25;0;"from A to B, <a href=https://www.ebi.ac.uk/chembl/assay_report_card/CHEMBL917818/  target=_blank>CHEMBL917818</a>";;;;;;;;;-4.66;;;;;;;;;;;;"Kim JS, Rhee HK, Park HJ, Lee IK, Lee SK, Suh ME, Lee HJ, Ryu CK, Choo HY.: Synthesis of 6-chloroisoquinoline-5,8-diones and pyrido[3,4-b]phenazine-5,12-diones and evaluation of their cytotoxicity and DNA topoisomerase II inhibitory activity. Bioorg Med Chem, Volume 15 (1), 2007";ChEMBL
MM475415;MM475415;CCOC(=O)c1ccc2nc3c(nc2c1)C(=O)c1ccncc1C3=O;IZYPZKYGEDPCKN-UHFFFAOYSA-N;333.3;1.98;44422253;;;CHEMBL223961;CACO;ECACO;25;0;"from A to B, <a href=https://www.ebi.ac.uk/chembl/assay_report_card/CHEMBL917818/  target=_blank>CHEMBL917818</a>";;;;;;;;;-4.8;;;;;;;;;;;;"Kim JS, Rhee HK, Park HJ, Lee IK, Lee SK, Suh ME, Lee HJ, Ryu CK, Choo HY.: Synthesis of 6-chloroisoquinoline-5,8-diones and pyrido[3,4-b]phenazine-5,12-diones and evaluation of their cytotoxicity and DNA topoisomerase II inhibitory activity. Bioorg Med Chem, Volume 15 (1), 2007";ChEMBL
MM475416;MM475416;O=C1C(Cl)=C(Nc2ccc(OC(F)(F)F)cc2)C(=O)c2cnccc21;WHGKVPAIVGFKQP-UHFFFAOYSA-N;368.7;3.92;44422212;;;CHEMBL224254;CACO;ECACO;25;0;"from A to B, <a href=https://www.ebi.ac.uk/chembl/assay_report_card/CHEMBL917818/  target=_blank>CHEMBL917818</a>";;;;;;;;;-5.65;;;;;;;;;;;;"Kim JS, Rhee HK, Park HJ, Lee IK, Lee SK, Suh ME, Lee HJ, Ryu CK, Choo HY.: Synthesis of 6-chloroisoquinoline-5,8-diones and pyrido[3,4-b]phenazine-5,12-diones and evaluation of their cytotoxicity and DNA topoisomerase II inhibitory activity. Bioorg Med Chem, Volume 15 (1), 2007";ChEMBL
MM475417;MM475417;O=C1C(Cl)=C(Nc2cccc(F)c2)C(=O)c2cnccc21;DAAPVSWVGCLXCW-UHFFFAOYSA-N;302.69;3.16;44422226;;;CHEMBL224682;CACO;ECACO;25;0;"from A to B, <a href=https://www.ebi.ac.uk/chembl/assay_report_card/CHEMBL917818/  target=_blank>CHEMBL917818</a>";;;;;;;;;-6.21;;;;;;;;;;;;"Kim JS, Rhee HK, Park HJ, Lee IK, Lee SK, Suh ME, Lee HJ, Ryu CK, Choo HY.: Synthesis of 6-chloroisoquinoline-5,8-diones and pyrido[3,4-b]phenazine-5,12-diones and evaluation of their cytotoxicity and DNA topoisomerase II inhibitory activity. Bioorg Med Chem, Volume 15 (1), 2007";ChEMBL
MM475418;MM475418;O=C1C(Cl)=C(Nc2cccc(O)c2)C(=O)c2cnccc21;UQTWBBWLPDUQEO-UHFFFAOYSA-N;300.7;2.73;44422242;;;CHEMBL224724;CACO;ECACO;25;0;"from A to B, <a href=https://www.ebi.ac.uk/chembl/assay_report_card/CHEMBL917818/  target=_blank>CHEMBL917818</a>";;;;;;;;;-4.45;;;;;;;;;;;;"Kim JS, Rhee HK, Park HJ, Lee IK, Lee SK, Suh ME, Lee HJ, Ryu CK, Choo HY.: Synthesis of 6-chloroisoquinoline-5,8-diones and pyrido[3,4-b]phenazine-5,12-diones and evaluation of their cytotoxicity and DNA topoisomerase II inhibitory activity. Bioorg Med Chem, Volume 15 (1), 2007";ChEMBL
MM475419;MM475419;CC(C)c1ccc2nc3c(nc2c1)C(=O)c1ccncc1C3=O;KWVPCUSAWJOPEE-UHFFFAOYSA-N;303.32;2.92;44422247;;;CHEMBL224767;CACO;ECACO;25;0;"from A to B, <a href=https://www.ebi.ac.uk/chembl/assay_report_card/CHEMBL917818/  target=_blank>CHEMBL917818</a>";;;;;;;;;-4.98;;;;;;;;;;;;"Kim JS, Rhee HK, Park HJ, Lee IK, Lee SK, Suh ME, Lee HJ, Ryu CK, Choo HY.: Synthesis of 6-chloroisoquinoline-5,8-diones and pyrido[3,4-b]phenazine-5,12-diones and evaluation of their cytotoxicity and DNA topoisomerase II inhibitory activity. Bioorg Med Chem, Volume 15 (1), 2007";ChEMBL
MM475800;MM475800;O=C1c2cnccc2C(=O)c2nc3cc(CCO)ccc3nc21;NONRLXFZTQKVFE-UHFFFAOYSA-N;305.29;1.34;44422248;;;CHEMBL375931;CACO;ECACO;25;0;"from A to B, <a href=https://www.ebi.ac.uk/chembl/assay_report_card/CHEMBL917818/  target=_blank>CHEMBL917818</a>";;;;;;;;;-4.69;;;;;;;;;;;;"Kim JS, Rhee HK, Park HJ, Lee IK, Lee SK, Suh ME, Lee HJ, Ryu CK, Choo HY.: Synthesis of 6-chloroisoquinoline-5,8-diones and pyrido[3,4-b]phenazine-5,12-diones and evaluation of their cytotoxicity and DNA topoisomerase II inhibitory activity. Bioorg Med Chem, Volume 15 (1), 2007";ChEMBL
Doramapimod;MM470891;Cc1ccc(-n2nc(C(C)(C)C)cc2NC(=O)Nc2ccc(OCCN3CCOCC3)c3ccccc23)cc1;MVCOAUNKQVWQHZ-UHFFFAOYSA-N;527.67;5.99;156422;;;CHEMBL103667;CACO;ECACO;25;0;"<a href=https://www.ebi.ac.uk/chembl/assay_report_card/CHEMBL927883/  target=_blank>CHEMBL927883</a>";;;;;;;;;-5;;;;;;;;;;;;"Cogan DA, Aungst R, Breinlinger EC, Fadra T, Goldberg DR, Hao MH, Kroe R, Moss N, Pargellis C, Qian KC, Swinamer AD.: Structure-based design and subsequent optimization of 2-tolyl-(1,2,3-triazol-1-yl-4-carboxamide) inhibitors of p38 MAP kinase. Bioorg Med Chem Lett, Volume 18 (11), 2008";ChEMBL
MM475120;MM475120;O=C(NOCC1CC1)c1ccc(F)c(F)c1Nc1ccc(I)cc1Cl;GFMMXOIFOQCCGU-UHFFFAOYSA-N;478.66;5.04;6918454;;;CHEMBL105442;CACO;ECACO;25;0;"<a href=https://www.ebi.ac.uk/chembl/assay_report_card/CHEMBL963135/  target=_blank>CHEMBL963135</a>";;;;;;;;;-4.79;;;;;;;;;;;;"Barrett SD, Bridges AJ, Dudley DT, Saltiel AR, Fergus JH, Flamme CM, Delaney AM, Kaufman M, LePage S, Leopold WR, Przybranowski SA, Sebolt-Leopold J, Van Becelaere K, Doherty AM, Kennedy RM, Marston D, Howard WA, Smith Y, Warmus JS, Tecle H.: The discovery of the benzhydroxamate MEK inhibitors CI-1040 and PD 0325901. Bioorg Med Chem Lett, Volume 18 (24), 2008";ChEMBL
MM475121;MM475121;COC(=O)c1c(O)cccc1OCCCCNC(=O)C(Cc1ccc(OCC(=O)O)cc1)NC(=O)OC(C)(C)C;IKOXRHVKSOJWLA-FQEVSTJZSA-N;560.6;3.05;23646569;;;CHEMBL106109;CACO;ECACO;25;0;"<a href=https://www.ebi.ac.uk/chembl/assay_report_card/CHEMBL655615/  target=_blank>CHEMBL655615</a>";;;;;;;;;-5;;;;;;;;;;;;"Xin Z, Liu G, Abad-Zapatero C, Pei Z, Szczepankiewicz BG, Li X, Zhang T, Hutchins CW, Hajduk PJ, Ballaron SJ, Stashko MA, Lubben TH, Trevillyan JM, Jirousek MR.: Identification of a monoacid-based, cell permeable, selective inhibitor of protein tyrosine phosphatase 1B. Bioorg Med Chem Lett, Volume 13 (22), 2003";ChEMBL
MM475128;MM475128;O=c1[nH]c2cc(-c3ccncn3)c(-c3ccco3)nc2[nH]1;MKVQVZUHJKLKRR-UHFFFAOYSA-N;279.26;1.97;11953248;;;CHEMBL1076563;CACO;ECACO;25;0;"<a href=https://www.ebi.ac.uk/chembl/assay_report_card/CHEMBL1100692/  target=_blank>CHEMBL1100692</a>";;;;;;;;;-4.4;;;;;;;;;;;;"Eastwood P, Gonzalez J, Paredes S, Fonquerna S, Cardús A, Alonso JA, Nueda A, Domenech T, Reinoso RF, Vidal B.: Discovery of potent and selective bicyclic A(2B) adenosine receptor antagonists via bioisosteric amide replacement. Bioorg Med Chem Lett, Volume 20 (5), 2010";ChEMBL
MM475130;MM475130;O=C(O)C=Cc1ccc(NC(=O)C2(NC(=O)c3ccc4c(c3)nc(-c3ccoc3)n4C3CCCCC3)CCCC2)cc1;OOLQOYHCEMONID-XNTDXEJSSA-N;566.66;6.58;6479956;;;CHEMBL1077334;CACO;ECACO;25;0;"<a href=https://www.ebi.ac.uk/chembl/assay_report_card/CHEMBL1100111/  target=_blank>CHEMBL1100111</a>";;;;;;;;;-5.41;;;;;;;;;;;;"Beaulieu PL, Dansereau N, Duan J, Garneau M, Gillard J, McKercher G, LaPlante S, Lagacée L, Thauvette L, Kukolj G.: Benzimidazole Thumb Pocket I finger-loop inhibitors of HCV NS5B polymerase: improved drug-like properties through C-2 SAR in three sub-series. Bioorg Med Chem Lett, Volume 20 (6), 2010";ChEMBL
MM475131;MM475131;O=C(O)C=Cc1ccc(NC(=O)C2(NC(=O)c3ccc4c(c3)nc(-c3ccccn3)n4C3CCCCC3)CCCC2)cc1;KLAOJPFJEJJZAC-QGOAFFKASA-N;577.69;6.38;6479971;;;CHEMBL1077335;CACO;ECACO;25;0;"<a href=https://www.ebi.ac.uk/chembl/assay_report_card/CHEMBL1100111/  target=_blank>CHEMBL1100111</a>";;;;;;;;;-5.02;;;;;;;;;;;;"Beaulieu PL, Dansereau N, Duan J, Garneau M, Gillard J, McKercher G, LaPlante S, Lagacée L, Thauvette L, Kukolj G.: Benzimidazole Thumb Pocket I finger-loop inhibitors of HCV NS5B polymerase: improved drug-like properties through C-2 SAR in three sub-series. Bioorg Med Chem Lett, Volume 20 (6), 2010";ChEMBL
MM475136;MM475136;CC(Nc1nc(C(=O)N2CCCC2)c2sccc2n1)c1cccnc1;YSTPWPWIXDYZLT-LBPRGKRZSA-N;353.45;3.5;25230181;;;CHEMBL1079894;CACO;ECACO;25;0;"<a href=https://www.ebi.ac.uk/chembl/assay_report_card/CHEMBL1105836/  target=_blank>CHEMBL1105836</a>";;;;;;;;;-4.48;;;;;;;;;;;;"Bedford ST, Benwell KR, Brooks T, Chen I, Comer M, Dugdale S, Haymes T, Jordan AM, Kennett GA, Knight AR, Klenke B, LeStrat L, Merrett A, Misra A, Lightowler S, Padfield A, Poullennec K, Reece M, Simmonite H, Wong M, Yule IA.: Discovery and optimization of potent and selective functional antagonists of the human adenosine A2B receptor. Bioorg Med Chem Lett, Volume 19 (20), 2009";ChEMBL
Carbamazepine;MM00341;NC(=O)N1c2ccccc2C=Cc2ccccc21;FFGPTBGBLSHEPO-UHFFFAOYSA-N;236.27;3.39;2554;DB00564;;CHEMBL108;CACO;ECACO;25;0;"<a href=https://www.ebi.ac.uk/chembl/assay_report_card/CHEMBL619358/  target=_blank>CHEMBL619358</a>";;;;;;;;;-4.64;;;;;;;;;;;;"Mandagere AK, Thompson TN, Hwang KK.: Graphical model for estimating oral bioavailability of drugs in humans and other species from their Caco-2 permeability and in vitro liver enzyme metabolic stability rates. J Med Chem, Volume 45 (2), 2002";ChEMBL
MM475137;MM475137;c1coc(-c2nc3nc[nH]c3cc2-c2ccncn2)c1;NDRMSISLKTZBKD-UHFFFAOYSA-N;263.26;2.67;11952504;;;CHEMBL1080327;CACO;ECACO;25;0;"<a href=https://www.ebi.ac.uk/chembl/assay_report_card/CHEMBL1100692/  target=_blank>CHEMBL1100692</a>";;;;;;;;;-4.64;;;;;;;;;;;;"Eastwood P, Gonzalez J, Paredes S, Fonquerna S, Cardús A, Alonso JA, Nueda A, Domenech T, Reinoso RF, Vidal B.: Discovery of potent and selective bicyclic A(2B) adenosine receptor antagonists via bioisosteric amide replacement. Bioorg Med Chem Lett, Volume 20 (5), 2010";ChEMBL
MM475138;MM475138;Cc1cc2[nH]ncc2cc1NC(=O)c1cc(N(CC2CC2)C2CCCCC2)ncn1;YYDJCLCSBYCSCO-UHFFFAOYSA-N;404.52;4.46;25182901;;;CHEMBL1080382;CACO;ECACO;25;0;"<a href=https://www.ebi.ac.uk/chembl/assay_report_card/CHEMBL1101572/  target=_blank>CHEMBL1101572</a>";;;;;;;;;-7;;;;;;;;;;;;"Crosignani S, Bombrun A, Covini D, Maio M, Marin D, Quattropani A, Swinnen D, Simpson D, Sauer W, Françon B, Martin T, Cambet Y, Nichols A, Martinou I, Burgat-Charvillon F, Rivron D, Donini C, Schott O, Eligert V, Novo-Perez L, Vitte PA, Arrighi JF.: Discovery of a novel series of potent S1P1 agonists. Bioorg Med Chem Lett, Volume 20 (5), 2010";ChEMBL
MM475139;MM475139;O=c1[nH][nH]c2nc(-c3ccco3)c(-c3ccncn3)cc12;ODIWALRZUVNYHC-UHFFFAOYSA-N;279.26;1.97;11952564;;;CHEMBL1080497;CACO;ECACO;25;0;"<a href=https://www.ebi.ac.uk/chembl/assay_report_card/CHEMBL1100692/  target=_blank>CHEMBL1100692</a>";;;;;;;;;-5.46;;;;;;;;;;;;"Eastwood P, Gonzalez J, Paredes S, Fonquerna S, Cardús A, Alonso JA, Nueda A, Domenech T, Reinoso RF, Vidal B.: Discovery of potent and selective bicyclic A(2B) adenosine receptor antagonists via bioisosteric amide replacement. Bioorg Med Chem Lett, Volume 20 (5), 2010";ChEMBL
MM475140;MM475140;c1coc(-c2nc3[nH]ccc3cc2-c2ccncn2)c1;SDUHCRWJXFZMQH-UHFFFAOYSA-N;262.27;3.28;11952665;;;CHEMBL1080512;CACO;ECACO;25;0;"<a href=https://www.ebi.ac.uk/chembl/assay_report_card/CHEMBL1100692/  target=_blank>CHEMBL1100692</a>";;;;;;;;;-4.4;;;;;;;;;;;;"Eastwood P, Gonzalez J, Paredes S, Fonquerna S, Cardús A, Alonso JA, Nueda A, Domenech T, Reinoso RF, Vidal B.: Discovery of potent and selective bicyclic A(2B) adenosine receptor antagonists via bioisosteric amide replacement. Bioorg Med Chem Lett, Volume 20 (5), 2010";ChEMBL
MM475141;MM475141;O=c1[nH]c(=O)c2cc(-c3ccncn3)c(-c3ccco3)nc2[nH]1;VYTAHRSDFGGCON-UHFFFAOYSA-N;307.27;1.33;46880424;;;CHEMBL1080513;CACO;ECACO;25;0;"<a href=https://www.ebi.ac.uk/chembl/assay_report_card/CHEMBL1100692/  target=_blank>CHEMBL1100692</a>";;;;;;;;;-4.7;;;;;;;;;;;;"Eastwood P, Gonzalez J, Paredes S, Fonquerna S, Cardús A, Alonso JA, Nueda A, Domenech T, Reinoso RF, Vidal B.: Discovery of potent and selective bicyclic A(2B) adenosine receptor antagonists via bioisosteric amide replacement. Bioorg Med Chem Lett, Volume 20 (5), 2010";ChEMBL
MM475142;MM475142;CCCN(CC1CC1)c1cc(C(=O)Nc2ccc3[nH]ncc3c2)ncn1;HAKUBDUVAGUCGC-UHFFFAOYSA-N;350.43;3.23;25182899;;;CHEMBL1080865;CACO;ECACO;25;0;"<a href=https://www.ebi.ac.uk/chembl/assay_report_card/CHEMBL1101572/  target=_blank>CHEMBL1101572</a>";;;;;;;;;-5.07;;;;;;;;;;;;"Crosignani S, Bombrun A, Covini D, Maio M, Marin D, Quattropani A, Swinnen D, Simpson D, Sauer W, Françon B, Martin T, Cambet Y, Nichols A, Martinou I, Burgat-Charvillon F, Rivron D, Donini C, Schott O, Eligert V, Novo-Perez L, Vitte PA, Arrighi JF.: Discovery of a novel series of potent S1P1 agonists. Bioorg Med Chem Lett, Volume 20 (5), 2010";ChEMBL
MM475143;MM475143;CCCN(CCC)c1cc(C(=O)Nc2ccc(O)cc2)ncn1;UWKRVWBQFLKJHP-UHFFFAOYSA-N;314.39;3.06;46880801;;;CHEMBL1081646;CACO;ECACO;25;0;"<a href=https://www.ebi.ac.uk/chembl/assay_report_card/CHEMBL1101572/  target=_blank>CHEMBL1101572</a>";;;;;;;;;-4.67;;;;;;;;;;;;"Crosignani S, Bombrun A, Covini D, Maio M, Marin D, Quattropani A, Swinnen D, Simpson D, Sauer W, Françon B, Martin T, Cambet Y, Nichols A, Martinou I, Burgat-Charvillon F, Rivron D, Donini C, Schott O, Eligert V, Novo-Perez L, Vitte PA, Arrighi JF.: Discovery of a novel series of potent S1P1 agonists. Bioorg Med Chem Lett, Volume 20 (5), 2010";ChEMBL
MM475144;MM475144;Cc1cc(O)ccc1NC(=O)c1cc(NC2CCCCC2)ncn1;BGHQPXFERWTACA-UHFFFAOYSA-N;326.4;3.49;25182621;;;CHEMBL1081654;CACO;ECACO;25;0;"<a href=https://www.ebi.ac.uk/chembl/assay_report_card/CHEMBL1101572/  target=_blank>CHEMBL1101572</a>";;;;;;;;;-4.66;;;;;;;;;;;;"Crosignani S, Bombrun A, Covini D, Maio M, Marin D, Quattropani A, Swinnen D, Simpson D, Sauer W, Françon B, Martin T, Cambet Y, Nichols A, Martinou I, Burgat-Charvillon F, Rivron D, Donini C, Schott O, Eligert V, Novo-Perez L, Vitte PA, Arrighi JF.: Discovery of a novel series of potent S1P1 agonists. Bioorg Med Chem Lett, Volume 20 (5), 2010";ChEMBL
MM475145;MM475145;Cn1c(=O)[nH]c2nc(-c3ccco3)c(-c3ccncn3)cc21;OWBPIGOKYQPEBA-UHFFFAOYSA-N;293.29;1.98;11952559;;;CHEMBL1081841;CACO;ECACO;25;0;"<a href=https://www.ebi.ac.uk/chembl/assay_report_card/CHEMBL1100692/  target=_blank>CHEMBL1100692</a>";;;;;;;;;-4.49;;;;;;;;;;;;"Eastwood P, Gonzalez J, Paredes S, Fonquerna S, Cardús A, Alonso JA, Nueda A, Domenech T, Reinoso RF, Vidal B.: Discovery of potent and selective bicyclic A(2B) adenosine receptor antagonists via bioisosteric amide replacement. Bioorg Med Chem Lett, Volume 20 (5), 2010";ChEMBL
MM475146;MM475146;O=C(Nc1ccc(-c2ccncn2)c(-c2ccco2)n1)C1CC1;QLBNYHQORUEQJE-UHFFFAOYSA-N;306.33;3.15;46866592;;;CHEMBL1081971;CACO;ECACO;25;0;"<a href=https://www.ebi.ac.uk/chembl/assay_report_card/CHEMBL1100692/  target=_blank>CHEMBL1100692</a>";;;;;;;;;-4.35;;;;;;;;;;;;"Eastwood P, Gonzalez J, Paredes S, Fonquerna S, Cardús A, Alonso JA, Nueda A, Domenech T, Reinoso RF, Vidal B.: Discovery of potent and selective bicyclic A(2B) adenosine receptor antagonists via bioisosteric amide replacement. Bioorg Med Chem Lett, Volume 20 (5), 2010";ChEMBL
Amoxicillin;MM00716;CC1(C)S[C@@H]2[C@H](NC(=O)[C@H](N)c3ccc(O)cc3)C(=O)N2[C@H]1C(=O)O;LSQZJLSUYDQPKJ-NJBDSQKTSA-N;365.41;0.02;33613;DB01060;;CHEMBL1082;CACO;ECACO;25;0;"<a href=https://www.ebi.ac.uk/chembl/assay_report_card/CHEMBL1074672/  target=_blank>CHEMBL1074672</a>";;;;;;;;;-6.1;;;;;;;;;;;;"Du-Cuny L, Song Z, Moses S, Powis G, Mash EA, Meuillet EJ, Zhang S.: Computational modeling of novel inhibitors targeting the Akt pleckstrin homology domain. Bioorg Med Chem, Volume 17 (19), 2009";ChEMBL
MM475147;MM475147;Nc1[nH]nc2nc(-c3ccco3)c(-c3ccncn3)cc12;CUIYZPCLAYEKMZ-UHFFFAOYSA-N;278.28;2.26;11952670;;;CHEMBL1082001;CACO;ECACO;25;0;"<a href=https://www.ebi.ac.uk/chembl/assay_report_card/CHEMBL1100692/  target=_blank>CHEMBL1100692</a>";;;;;;;;;-4.62;;;;;;;;;;;;"Eastwood P, Gonzalez J, Paredes S, Fonquerna S, Cardús A, Alonso JA, Nueda A, Domenech T, Reinoso RF, Vidal B.: Discovery of potent and selective bicyclic A(2B) adenosine receptor antagonists via bioisosteric amide replacement. Bioorg Med Chem Lett, Volume 20 (5), 2010";ChEMBL
MM475148;MM475148;c1coc(-c2nc3[nH]ncc3cc2-c2ccncn2)c1;FUZVDFCUPYVIEA-UHFFFAOYSA-N;263.26;2.67;11952560;;;CHEMBL1082002;CACO;ECACO;25;0;"<a href=https://www.ebi.ac.uk/chembl/assay_report_card/CHEMBL1100692/  target=_blank>CHEMBL1100692</a>";;;;;;;;;-4.41;;;;;;;;;;;;"Eastwood P, Gonzalez J, Paredes S, Fonquerna S, Cardús A, Alonso JA, Nueda A, Domenech T, Reinoso RF, Vidal B.: Discovery of potent and selective bicyclic A(2B) adenosine receptor antagonists via bioisosteric amide replacement. Bioorg Med Chem Lett, Volume 20 (5), 2010";ChEMBL
MM475151;MM475151;Cc1cc(S(=O)(=O)NCCC(=O)O)ccc1NC(=O)c1cc(N(CC2CC2)C2CCCCC2)ncn1;GZZVZWYVRPVSBJ-UHFFFAOYSA-N;515.64;3.34;25154344;;;CHEMBL1082869;CACO;ECACO;25;0;"<a href=https://www.ebi.ac.uk/chembl/assay_report_card/CHEMBL1101572/  target=_blank>CHEMBL1101572</a>";;;;;;;;;-5.7;;;;;;;;;;;;"Crosignani S, Bombrun A, Covini D, Maio M, Marin D, Quattropani A, Swinnen D, Simpson D, Sauer W, Françon B, Martin T, Cambet Y, Nichols A, Martinou I, Burgat-Charvillon F, Rivron D, Donini C, Schott O, Eligert V, Novo-Perez L, Vitte PA, Arrighi JF.: Discovery of a novel series of potent S1P1 agonists. Bioorg Med Chem Lett, Volume 20 (5), 2010";ChEMBL
MM475164;MM475164;Cc1cc(CN2CC(C(=O)O)C2)ccc1NC(=O)c1cc(N(CC2CC2)C2CCCCC2)ncn1;PSYRPGKNBHSBJV-UHFFFAOYSA-N;477.61;4.1;46881623;;;CHEMBL1083828;CACO;ECACO;25;0;"<a href=https://www.ebi.ac.uk/chembl/assay_report_card/CHEMBL1101572/  target=_blank>CHEMBL1101572</a>";;;;;;;;;-5.62;;;;;;;;;;;;"Crosignani S, Bombrun A, Covini D, Maio M, Marin D, Quattropani A, Swinnen D, Simpson D, Sauer W, Françon B, Martin T, Cambet Y, Nichols A, Martinou I, Burgat-Charvillon F, Rivron D, Donini C, Schott O, Eligert V, Novo-Perez L, Vitte PA, Arrighi JF.: Discovery of a novel series of potent S1P1 agonists. Bioorg Med Chem Lett, Volume 20 (5), 2010";ChEMBL
MM475193;MM475193;Cc1cc(S(N)(=O)=O)ccc1NC(=O)c1cc(NC2CCCCC2)ncn1;UUZYCNGFSOOOSO-UHFFFAOYSA-N;389.48;2.43;25182756;;;CHEMBL1087142;CACO;ECACO;25;0;"<a href=https://www.ebi.ac.uk/chembl/assay_report_card/CHEMBL1101572/  target=_blank>CHEMBL1101572</a>";;;;;;;;;-4.9;;;;;;;;;;;;"Crosignani S, Bombrun A, Covini D, Maio M, Marin D, Quattropani A, Swinnen D, Simpson D, Sauer W, Françon B, Martin T, Cambet Y, Nichols A, Martinou I, Burgat-Charvillon F, Rivron D, Donini C, Schott O, Eligert V, Novo-Perez L, Vitte PA, Arrighi JF.: Discovery of a novel series of potent S1P1 agonists. Bioorg Med Chem Lett, Volume 20 (5), 2010";ChEMBL
MM475200;MM475200;O=C(O)CCNCc1ccc(NC(=O)c2cc(N(CC3CC3)C3CCCCC3)ncn2)cc1;ORHOSJNREFXVLJ-UHFFFAOYSA-N;451.57;3.84;25182926;;;CHEMBL1090423;CACO;ECACO;25;0;"<a href=https://www.ebi.ac.uk/chembl/assay_report_card/CHEMBL1101572/  target=_blank>CHEMBL1101572</a>";;;;;;;;;-6.1;;;;;;;;;;;;"Crosignani S, Bombrun A, Covini D, Maio M, Marin D, Quattropani A, Swinnen D, Simpson D, Sauer W, Françon B, Martin T, Cambet Y, Nichols A, Martinou I, Burgat-Charvillon F, Rivron D, Donini C, Schott O, Eligert V, Novo-Perez L, Vitte PA, Arrighi JF.: Discovery of a novel series of potent S1P1 agonists. Bioorg Med Chem Lett, Volume 20 (5), 2010";ChEMBL
MM475205;MM475205;CCN1CCC(N(C(=O)NCc2ccc(F)cc2)c2ccc(Cl)cn2)CC1;HVPUGUKUEQHDMX-UHFFFAOYSA-N;390.89;4.07;46884463;;;CHEMBL1092106;CACO;ECACO;25;0;"<a href=https://www.ebi.ac.uk/chembl/assay_report_card/CHEMBL1107886/  target=_blank>CHEMBL1107886</a>";;;;;;;;;-5.14;;;;;;;;;;;;"Berlin M, Lee YJ, Boyce CW, Wang Y, Aslanian R, McCormick KD, Sorota S, Williams SM, West RE, Korfmacher W.: Reduction of hERG inhibitory activity in the 4-piperidinyl urea series of H3 antagonists. Bioorg Med Chem Lett, Volume 20 (7), 2010";ChEMBL
MM475206;MM475206;O=C(NCc1ccccc1)N(c1ccc(Br)cc1)C1CCN(Cc2ccnnc2)CC1;OLGOESKHTHMVLF-UHFFFAOYSA-N;480.41;4.62;46883919;;;CHEMBL1092109;CACO;ECACO;25;0;"<a href=https://www.ebi.ac.uk/chembl/assay_report_card/CHEMBL1107886/  target=_blank>CHEMBL1107886</a>";;;;;;;;;-4.57;;;;;;;;;;;;"Berlin M, Lee YJ, Boyce CW, Wang Y, Aslanian R, McCormick KD, Sorota S, Williams SM, West RE, Korfmacher W.: Reduction of hERG inhibitory activity in the 4-piperidinyl urea series of H3 antagonists. Bioorg Med Chem Lett, Volume 20 (7), 2010";ChEMBL
MM475207;MM475207;CC(=O)N1CCCC1(Cc1ccc(S(C)(=O)=O)cc1)C(=O)OCc1ccccc1;XFXZWVGQXNFWDE-UHFFFAOYSA-N;415.51;2.76;46866400;;;CHEMBL1092257;CACO;ECACO;25;0;"<a href=https://www.ebi.ac.uk/chembl/assay_report_card/CHEMBL1105306/  target=_blank>CHEMBL1105306</a>";;;;;;;;;-4.51;;;;;;;;;;;;"Pégurier C, Bosman N, Collart P, Delporte ML, Leclercq K, Lengelé S, Kanduluru AK, Meunier S, Pacico N, Vadali LR, Wagner A, Wolff C, Provins L.: Benzyl prolinate derivatives as novel selective KCC2 blockers. Bioorg Med Chem Lett, Volume 20 (8), 2010";ChEMBL
MM475209;MM475209;CCOc1ccc(Cc2cc([C@@H]3S[C@H](CO)[C@@H](O)[C@H](O)[C@H]3O)c(OC)cc2C)cc1;WHSOLWOTCHFFBK-ZQGJOIPISA-N;434.55;2.22;;;;;CACO;ECACO;25;0;"<a href=https://www.ebi.ac.uk/chembl/assay_report_card/CHEMBL1109859/  target=_blank>CHEMBL1109859</a>";;;;;;;;;-4.84;;;;;;;;;;;;"Kakinuma H, Oi T, Hashimoto-Tsuchiya Y, Arai M, Kawakita Y, Fukasawa Y, Iida I, Hagima N, Takeuchi H, Chino Y, Asami J, Okumura-Kitajima L, Io F, Yamamoto D, Miyata N, Takahashi T, Uchida S, Yamamoto K.: (1S)-1,5-anhydro-1-[5-(4-ethoxybenzyl)-2-methoxy-4-methylphenyl]-1-thio-D-glucitol (TS-071) is a potent, selective sodium-dependent glucose cotransporter 2 (SGLT2) inhibitor for type 2 diabetes treatment. J Med Chem, Volume 53 (8), 2010";ChEMBL
MM475210;MM475210;O=C(NCc1ccc(F)cc1)N(c1ccc(Br)cc1)C1CCN(C2CCCC2)CC1;WHBCDNPPOUFKAB-UHFFFAOYSA-N;474.42;5.71;46884428;;;CHEMBL1094030;CACO;ECACO;25;0;"<a href=https://www.ebi.ac.uk/chembl/assay_report_card/CHEMBL1107886/  target=_blank>CHEMBL1107886</a>";;;;;;;;;-4.94;;;;;;;;;;;;"Berlin M, Lee YJ, Boyce CW, Wang Y, Aslanian R, McCormick KD, Sorota S, Williams SM, West RE, Korfmacher W.: Reduction of hERG inhibitory activity in the 4-piperidinyl urea series of H3 antagonists. Bioorg Med Chem Lett, Volume 20 (7), 2010";ChEMBL
MM475220;MM475220;Cn1nc(C(=O)O)c2c1-c1nc(Nc3ccccc3)ncc1CC2;ZOBRPBVIEUWYJR-UHFFFAOYSA-N;321.34;2.42;44129603;;;CHEMBL1098060;CACO;ECACO;25;0;"<a href=https://www.ebi.ac.uk/chembl/assay_report_card/CHEMBL1109147/  target=_blank>CHEMBL1109147</a>";;;;;;;;;-5.57;;;;;;;;;;;;"Beria I, Ballinari D, Bertrand JA, Borghi D, Bossi RT, Brasca MG, Cappella P, Cappella P, Caruso M, Ceccarelli W, Ciavolella A, Cristiani C, Croci V, De Ponti A, Fachin G, Ferguson RD, Lansen J, Moll JK, Pesenti E, Posteri H, Perego R, Rocchetti M, Storici P, Volpi D, Valsasina B.: Identification of 4,5-dihydro-1H-pyrazolo[4,3-h]quinazoline derivatives as a new class of orally and selective Polo-like kinase 1 inhibitors. J Med Chem, Volume 53 (9), 2010";ChEMBL
MM475222;MM475222;FC(F)(F)c1cc(COCC(c2ccccc2)N2CCNCC2)cc(C(F)(F)F)c1;BUBWRIVYXMCTAG-UHFFFAOYSA-N;432.41;4.89;22353151;;;CHEMBL109937;CACO;ECACO;25;0;"<a href=https://www.ebi.ac.uk/chembl/assay_report_card/CHEMBL656466/  target=_blank>CHEMBL656466</a>";;;;;;;;;-5.68;;;;;;;;;;;;"Genicot C, Christophe B, Collart P, Gillard M, Goossens L, Hénichart JP, Lassoie MA, Moureau F, Neuwels M, Nicolas JM, Pasau P, Quéré L, Ryckmans T, Stiernet F, Taverne T, Van Keulen BJ.: Discovery of orally bioavailable NK1 receptor antagonists. Bioorg Med Chem Lett, Volume 13 (3), 2003";ChEMBL
Imipramine;MM00504;CN(C)CCCN1c2ccccc2CCc2ccccc21;BCGWQEUPMDMJNV-UHFFFAOYSA-N;280.42;3.88;3696;DB00458;IXX;CHEMBL11;CACO;ECACO;25;0;"<a href=https://www.ebi.ac.uk/chembl/assay_report_card/CHEMBL638187/  target=_blank>CHEMBL638187</a>";;;;;;;;;-5.3;;;;;;;;;;;;"Wohnsland F, Faller B.: High-throughput permeability pH profile and high-throughput alkane/water log P with artificial membranes. J Med Chem, Volume 44 (6), 2001";ChEMBL
Caffeine;MM00040;Cn1c(=O)c2c(ncn2C)n(C)c1=O;RYYVLZVUVIJVGH-UHFFFAOYSA-N;194.19;-1.03;2519;DB00201;CFF;CHEMBL113;CACO;ECACO;25;0;"<a href=https://www.ebi.ac.uk/chembl/assay_report_card/CHEMBL1074672/  target=_blank>CHEMBL1074672</a>";;;;;;;;;-4.41;;;;;;;;;;;;"Du-Cuny L, Song Z, Moses S, Powis G, Mash EA, Meuillet EJ, Zhang S.: Computational modeling of novel inhibitors targeting the Akt pleckstrin homology domain. Bioorg Med Chem, Volume 17 (19), 2009";ChEMBL
Caffeine;MM00040;Cn1c(=O)c2c(ncn2C)n(C)c1=O;RYYVLZVUVIJVGH-UHFFFAOYSA-N;194.19;-1.03;2519;DB00201;CFF;CHEMBL113;CACO;ECACO;25;0;"<a href=https://www.ebi.ac.uk/chembl/assay_report_card/CHEMBL655617/  target=_blank>CHEMBL655617</a>";;;;;;;;;-4.36;;;;;;;;;;;;"Palanki MS, Erdman PE, Ren M, Suto M, Bennett BL, Manning A, Ransone L, Spooner C, Desai S, Ow A, Totsuka R, Tsao P, Toriumi W.: The design and synthesis of novel orally active inhibitors of AP-1 and NF-kappaB mediated transcriptional activation. SAR of in vitro and in vivo studies. Bioorg Med Chem Lett, Volume 13 (22), 2003";ChEMBL
Caffeine;MM00040;Cn1c(=O)c2c(ncn2C)n(C)c1=O;RYYVLZVUVIJVGH-UHFFFAOYSA-N;194.19;-1.03;2519;DB00201;CFF;CHEMBL113;CACO;ECACO;25;0;"<a href=https://www.ebi.ac.uk/chembl/assay_report_card/CHEMBL1015280/  target=_blank>CHEMBL1015280</a>";;;;;;;;;-4.57;;;;;;;;;;;;"Ettari R, Micale N, Schirmeister T, Gelhaus C, Leippe M, Nizi E, Di Francesco ME, Grasso S, Zappalà M.: Novel peptidomimetics containing a vinyl ester moiety as highly potent and selective falcipain-2 inhibitors. J Med Chem, Volume 52 (7), 2009";ChEMBL
MM475225;MM475225;CC1CNc2c(cccc2S(=O)(=O)NC(CCCN=C(N)N)C(=O)N2CCC(C)CC2C(=O)O)C1;KXNPVXPOPUZYGB-IOVMHBDKSA-N;508.65;0.91;92722;;;CHEMBL1166;CACO;ECACO;25;0;"<a href=https://www.ebi.ac.uk/chembl/assay_report_card/CHEMBL656468/  target=_blank>CHEMBL656468</a>";;;;;;;;;-6.52;;;;;;;;;;;;10.1016/S0960-894X(00)80064-5;ChEMBL
Diazepam;MM00094;CN1C(=O)CN=C(c2ccccc2)c2cc(Cl)ccc21;AAOVKJBEBIDNHE-UHFFFAOYSA-N;284.75;3.15;3016;DB00829;DZP;CHEMBL12;CACO;ECACO;25;0;"<a href=https://www.ebi.ac.uk/chembl/assay_report_card/CHEMBL635760/  target=_blank>CHEMBL635760</a>";;;;;;;;;-3.92;;;;;;;;;;;;"Stenberg P, Norinder U, Luthman K, Artursson P.: Experimental and computational screening models for the prediction of intestinal drug absorption. J Med Chem, Volume 44 (12), 2001";ChEMBL
Diazepam;MM00094;CN1C(=O)CN=C(c2ccccc2)c2cc(Cl)ccc21;AAOVKJBEBIDNHE-UHFFFAOYSA-N;284.75;3.15;3016;DB00829;DZP;CHEMBL12;CACO;ECACO;25;0;"<a href=https://www.ebi.ac.uk/chembl/assay_report_card/CHEMBL638024/  target=_blank>CHEMBL638024</a>";;;;;;;;;-3.12;;;;;;;;;;;;"Stenberg P, Norinder U, Luthman K, Artursson P.: Experimental and computational screening models for the prediction of intestinal drug absorption. J Med Chem, Volume 44 (12), 2001";ChEMBL
Alanine;MM475229;CC(N)C(=O)O;QNAYBMKLOCPYGJ-UHFFFAOYSA-N;89.09;-0.58;;;;;CACO;ECACO;25;0;"<a href=https://www.ebi.ac.uk/chembl/assay_report_card/CHEMBL1074672/  target=_blank>CHEMBL1074672</a>";;;;;;;;;-5.42;;;;;;;;;;;;"Du-Cuny L, Song Z, Moses S, Powis G, Mash EA, Meuillet EJ, Zhang S.: Computational modeling of novel inhibitors targeting the Akt pleckstrin homology domain. Bioorg Med Chem, Volume 17 (19), 2009";ChEMBL
MM475231;MM475231;c1cc(OCCCN2CCCCC2)ccc1CN1CCCCC1;PTKHFRNHJULJKT-UHFFFAOYSA-N;316.49;3.93;;;;;CACO;ECACO;25;0;"<a href=https://www.ebi.ac.uk/chembl/assay_report_card/CHEMBL638030/  target=_blank>CHEMBL638030</a>";;;;;;;;;-5.63;;;;;;;;;;;;"Apodaca R, Dvorak CA, Xiao W, Barbier AJ, Boggs JD, Wilson SJ, Lovenberg TW, Carruthers NI.: A new class of diamine-based human histamine H3 receptor antagonists: 4-(aminoalkoxy)benzylamines. J Med Chem, Volume 46 (18), 2003";ChEMBL
MM475232;MM475232;COc1cccc2nc(-c3cccs3)nc(NN3C(=O)C=C(C)C3=O)c12;GZGLPBNOIFLLRE-UHFFFAOYSA-N;366.4;3.01;9820526;;;CHEMBL129857;CACO;ECACO;25;0;"<a href=https://www.ebi.ac.uk/chembl/assay_report_card/CHEMBL655617/  target=_blank>CHEMBL655617</a>";;;;;;;;;-4.85;;;;;;;;;;;;"Palanki MS, Erdman PE, Ren M, Suto M, Bennett BL, Manning A, Ransone L, Spooner C, Desai S, Ow A, Totsuka R, Tsao P, Toriumi W.: The design and synthesis of novel orally active inhibitors of AP-1 and NF-kappaB mediated transcriptional activation. SAR of in vitro and in vivo studies. Bioorg Med Chem Lett, Volume 13 (22), 2003";ChEMBL
Metoprolol;MM00275;COCCc1ccc(OCC(O)CNC(C)C)cc1;IUBSYMUCCVWXPE-UHFFFAOYSA-N;267.37;1.61;4171;DB00264;;CHEMBL13;CACO;ECACO;25;0;"<a href=https://www.ebi.ac.uk/chembl/assay_report_card/CHEMBL635760/  target=_blank>CHEMBL635760</a>";;;;;;;;;-4.19;;;;;;;;;;;;"Stenberg P, Norinder U, Luthman K, Artursson P.: Experimental and computational screening models for the prediction of intestinal drug absorption. J Med Chem, Volume 44 (12), 2001";ChEMBL
Metoprolol;MM00275;COCCc1ccc(OCC(O)CNC(C)C)cc1;IUBSYMUCCVWXPE-UHFFFAOYSA-N;267.37;1.61;4171;DB00264;;CHEMBL13;CACO;ECACO;25;0;"<a href=https://www.ebi.ac.uk/chembl/assay_report_card/CHEMBL638024/  target=_blank>CHEMBL638024</a>";;;;;;;;;-4.04;;;;;;;;;;;;"Stenberg P, Norinder U, Luthman K, Artursson P.: Experimental and computational screening models for the prediction of intestinal drug absorption. J Med Chem, Volume 44 (12), 2001";ChEMBL
Metoprolol;MM00275;COCCc1ccc(OCC(O)CNC(C)C)cc1;IUBSYMUCCVWXPE-UHFFFAOYSA-N;267.37;1.61;4171;DB00264;;CHEMBL13;CACO;ECACO;25;0;"<a href=https://www.ebi.ac.uk/chembl/assay_report_card/CHEMBL619358/  target=_blank>CHEMBL619358</a>";;;;;;;;;-4.57;;;;;;;;;;;;"Mandagere AK, Thompson TN, Hwang KK.: Graphical model for estimating oral bioavailability of drugs in humans and other species from their Caco-2 permeability and in vitro liver enzyme metabolic stability rates. J Med Chem, Volume 45 (2), 2002";ChEMBL
Metoprolol;MM00275;COCCc1ccc(OCC(O)CNC(C)C)cc1;IUBSYMUCCVWXPE-UHFFFAOYSA-N;267.37;1.61;4171;DB00264;;CHEMBL13;CACO;ECACO;25;0;"<a href=https://www.ebi.ac.uk/chembl/assay_report_card/CHEMBL840608/  target=_blank>CHEMBL840608</a>";;;;;;;;;-4.74;;;;;;;;;;;;"Refsgaard HH, Jensen BF, Brockhoff PB, Padkjaer SB, Guldbrandt M, Christensen MS.: In silico prediction of membrane permeability from calculated molecular parameters. J Med Chem, Volume 48 (3), 2005";ChEMBL
Chloramphenicol;MM00342;O=C(NC(CO)C(O)c1ccc([N+](=O)[O-])cc1)C(Cl)Cl;WIIZWVCIJKGZOK-UHFFFAOYSA-N;323.13;0.91;5959;DB00446;CLM;CHEMBL130;CACO;ECACO;25;+1,-1;"<a href=https://www.ebi.ac.uk/chembl/assay_report_card/CHEMBL1074672/  target=_blank>CHEMBL1074672</a>";;;;;;;;;-4.69;;;;;;;;;;;;"Du-Cuny L, Song Z, Moses S, Powis G, Mash EA, Meuillet EJ, Zhang S.: Computational modeling of novel inhibitors targeting the Akt pleckstrin homology domain. Bioorg Med Chem, Volume 17 (19), 2009";ChEMBL
MM475235;MM475235;COc1cccc2nc(C(F)(F)F)nc(NN3C(=O)C=C(C)C3=O)c12;QUNDTWAVFFGEKW-UHFFFAOYSA-N;352.27;2.3;15435249;;;CHEMBL133412;CACO;ECACO;25;0;"<a href=https://www.ebi.ac.uk/chembl/assay_report_card/CHEMBL655617/  target=_blank>CHEMBL655617</a>";;;;;;;;;-5.83;;;;;;;;;;;;"Palanki MS, Erdman PE, Ren M, Suto M, Bennett BL, Manning A, Ransone L, Spooner C, Desai S, Ow A, Totsuka R, Tsao P, Toriumi W.: The design and synthesis of novel orally active inhibitors of AP-1 and NF-kappaB mediated transcriptional activation. SAR of in vitro and in vivo studies. Bioorg Med Chem Lett, Volume 13 (22), 2003";ChEMBL
MM475236;MM475236;Cc1cc(C(=O)Nc2ccc(-c3ccccc3S(N)(=O)=O)cc2)n(-c2cccc(CN)c2)n1;RPHPZHQLDZECGT-UHFFFAOYSA-N;461.55;3.21;;;;;CACO;ECACO;25;0;"<a href=https://www.ebi.ac.uk/chembl/assay_report_card/CHEMBL635761/  target=_blank>CHEMBL635761</a>";;;;;;;;;-6.7;;;;;;;;;;;;"Pinto DJ, Orwat MJ, Wang S, Fevig JM, Quan ML, Amparo E, Cacciola J, Rossi KA, Alexander RS, Smallwood AM, Luettgen JM, Liang L, Aungst BJ, Wright MR, Knabb RM, Wong PC, Wexler RR, Lam PY.: Discovery of 1-[3-(aminomethyl)phenyl]-N-3-fluoro-2'-(methylsulfonyl)-[1,1'-biphenyl]-4-yl]-3-(trifluoromethyl)-1H-pyrazole-5-carboxamide (DPC423), a highly potent, selective, and orally bioavailable inhibitor of blood coagulation factor Xa. J Med Chem, Volume 44 (4), 2001";ChEMBL
MM475237;MM475237;Cc1cc(COc2ccc(NC(=O)C3C(C(=O)NO)CCCN3C)cc2)c2ccccc2n1;RJSKOAOWDAMMHR-GMAHTHKFSA-N;448.52;3.28;9889867;;;CHEMBL134908;CACO;ECACO;25;0;"<a href=https://www.ebi.ac.uk/chembl/assay_report_card/CHEMBL655611/  target=_blank>CHEMBL655611</a>";;;;;;;;;-5.68;;;;;;;;;;;;"Xue CB, He X, Roderick J, Corbett RL, Duan JJ, Liu RQ, Covington MB, Qian M, Ribadeneira MD, Vaddi K, Christ DD, Newton RC, Trzaskos JM, Magolda RL, Wexler RR, Decicco CP.: Rational design, synthesis and structure-activity relationships of a cyclic succinate series of TNF-alpha converting enzyme inhibitors. Part 2: lead optimization. Bioorg Med Chem Lett, Volume 13 (24), 2003";ChEMBL
MM475238;MM475238;O=C(C(=O)N1CCN(C(=O)c2ccccc2)CC1)c1c[nH]c2cccc(F)c12;;379.39;2.47;506214;;;CHEMBL135339;CACO;ECACO;25;0;"<a href=https://www.ebi.ac.uk/chembl/assay_report_card/CHEMBL956793/  target=_blank>CHEMBL956793</a>";;;;;;;;;-5;;;;;;;;;;;;"Meanwell NA, Wallace OB, Fang H, Wang H, Deshpande M, Wang T, Yin Z, Zhang Z, Pearce BC, James J, Yeung KS, Qiu Z, Kim Wright JJ, Yang Z, Zadjura L, Tweedie DL, Yeola S, Zhao F, Ranadive S, Robinson BA, Gong YF, Wang HG, Spicer TP, Blair WS, Shi PY, Colonno RJ, Lin PF.: Inhibitors of HIV-1 attachment. Part 2: An initial survey of indole substitution patterns. Bioorg Med Chem Lett, Volume 19 (7), 2009";ChEMBL
MM475238;MM475238;O=C(C(=O)N1CCN(C(=O)c2ccccc2)CC1)c1c[nH]c2cccc(F)c12;;379.39;2.47;506214;;;CHEMBL135339;CACO;ECACO;25;0;"<a href=https://www.ebi.ac.uk/chembl/assay_report_card/CHEMBL1045523/  target=_blank>CHEMBL1045523</a>";;;;;;;;;-5.33;;;;;;;;;;;;"Wang T, Kadow JF, Zhang Z, Yin Z, Gao Q, Wu D, Parker DD, Yang Z, Zadjura L, Robinson BA, Gong YF, Spicer TP, Blair WS, Shi PY, Yamanaka G, Lin PF, Meanwell NA.: Inhibitors of HIV-1 attachment. Part 4: A study of the effect of piperazine substitution patterns on antiviral potency in the context of indole-based derivatives. Bioorg Med Chem Lett, Volume 19 (17), 2009";ChEMBL
MM475239;MM475239;O=C(O)CN1CCN(C(COCc2cc(C(F)(F)F)cc(C(F)(F)F)c2)c2ccccc2)CC1;KHANBRBFKNNRSS-UHFFFAOYSA-N;490.44;4.68;10141196;;;CHEMBL136291;CACO;ECACO;25;0;"<a href=https://www.ebi.ac.uk/chembl/assay_report_card/CHEMBL656466/  target=_blank>CHEMBL656466</a>";;;;;;;;;-5.02;;;;;;;;;;;;"Genicot C, Christophe B, Collart P, Gillard M, Goossens L, Hénichart JP, Lassoie MA, Moureau F, Neuwels M, Nicolas JM, Pasau P, Quéré L, Ryckmans T, Stiernet F, Taverne T, Van Keulen BJ.: Discovery of orally bioavailable NK1 receptor antagonists. Bioorg Med Chem Lett, Volume 13 (3), 2003";ChEMBL
MM475240;MM475240;Cc1cc(COc2ccc(NC(=O)C3CCN(C(=O)NC(C)(C)C)CC3C(=O)NO)cc2)c2ccccc2n1;ZNCOVHFRMJEGMK-ZEQRLZLVSA-N;533.63;4.01;44356993;;;CHEMBL137013;CACO;ECACO;25;0;"<a href=https://www.ebi.ac.uk/chembl/assay_report_card/CHEMBL655611/  target=_blank>CHEMBL655611</a>";;;;;;;;;-6.15;;;;;;;;;;;;"Xue CB, He X, Roderick J, Corbett RL, Duan JJ, Liu RQ, Covington MB, Qian M, Ribadeneira MD, Vaddi K, Christ DD, Newton RC, Trzaskos JM, Magolda RL, Wexler RR, Decicco CP.: Rational design, synthesis and structure-activity relationships of a cyclic succinate series of TNF-alpha converting enzyme inhibitors. Part 2: lead optimization. Bioorg Med Chem Lett, Volume 13 (24), 2003";ChEMBL
MM475241;MM475241;Cc1cc(COc2ccc(NC(=O)C3CN(C)CCC3C(=O)NO)cc2)c2ccccc2n1;XXYKPFAJBJFQQP-VXKWHMMOSA-N;448.52;3.13;44356924;;;CHEMBL137315;CACO;ECACO;25;0;"<a href=https://www.ebi.ac.uk/chembl/assay_report_card/CHEMBL655611/  target=_blank>CHEMBL655611</a>";;;;;;;;;-7;;;;;;;;;;;;"Xue CB, He X, Roderick J, Corbett RL, Duan JJ, Liu RQ, Covington MB, Qian M, Ribadeneira MD, Vaddi K, Christ DD, Newton RC, Trzaskos JM, Magolda RL, Wexler RR, Decicco CP.: Rational design, synthesis and structure-activity relationships of a cyclic succinate series of TNF-alpha converting enzyme inhibitors. Part 2: lead optimization. Bioorg Med Chem Lett, Volume 13 (24), 2003";ChEMBL
MM475242;MM475242;Cc1cc(COc2ccc(NC(=O)C3CCN(C(=O)OC4CC4)CC3C(=O)NO)cc2)c2ccccc2n1;DQLBBYKDXWLUIC-ZEQRLZLVSA-N;518.57;3.8;44356971;;;CHEMBL137365;CACO;ECACO;25;0;"<a href=https://www.ebi.ac.uk/chembl/assay_report_card/CHEMBL655611/  target=_blank>CHEMBL655611</a>";;;;;;;;;-6.7;;;;;;;;;;;;"Xue CB, He X, Roderick J, Corbett RL, Duan JJ, Liu RQ, Covington MB, Qian M, Ribadeneira MD, Vaddi K, Christ DD, Newton RC, Trzaskos JM, Magolda RL, Wexler RR, Decicco CP.: Rational design, synthesis and structure-activity relationships of a cyclic succinate series of TNF-alpha converting enzyme inhibitors. Part 2: lead optimization. Bioorg Med Chem Lett, Volume 13 (24), 2003";ChEMBL
MM475243;MM475243;Cc1cc(COc2ccc(NC(=O)C3CCN(C(=O)C(C)C)CC3C(=O)NO)cc2)c2ccccc2n1;QOGHJMHAONXOFF-ZEQRLZLVSA-N;504.59;3.69;44357029;;;CHEMBL137703;CACO;ECACO;25;0;"<a href=https://www.ebi.ac.uk/chembl/assay_report_card/CHEMBL655611/  target=_blank>CHEMBL655611</a>";;;;;;;;;-6.52;;;;;;;;;;;;"Xue CB, He X, Roderick J, Corbett RL, Duan JJ, Liu RQ, Covington MB, Qian M, Ribadeneira MD, Vaddi K, Christ DD, Newton RC, Trzaskos JM, Magolda RL, Wexler RR, Decicco CP.: Rational design, synthesis and structure-activity relationships of a cyclic succinate series of TNF-alpha converting enzyme inhibitors. Part 2: lead optimization. Bioorg Med Chem Lett, Volume 13 (24), 2003";ChEMBL
MM475244;MM475244;C[C@H](OC[C@H](c1ccccc1)N1CCN(CCOCC(=O)O)CC1)c1cc(C(F)(F)F)cc(C(F)(F)F)c1;VONJODYKTRPIQC-FDDCHVKYSA-N;548.52;5.26;;;;;CACO;ECACO;25;0;"<a href=https://www.ebi.ac.uk/chembl/assay_report_card/CHEMBL656466/  target=_blank>CHEMBL656466</a>";;;;;;;;;-5.06;;;;;;;;;;;;"Genicot C, Christophe B, Collart P, Gillard M, Goossens L, Hénichart JP, Lassoie MA, Moureau F, Neuwels M, Nicolas JM, Pasau P, Quéré L, Ryckmans T, Stiernet F, Taverne T, Van Keulen BJ.: Discovery of orally bioavailable NK1 receptor antagonists. Bioorg Med Chem Lett, Volume 13 (3), 2003";ChEMBL
MM475245;MM475245;O=C(O)COCCN1CCN(C(COCc2cc(C(F)(F)F)cc(C(F)(F)F)c2)c2ccccc2)CC1;ZOXBUIMAXBOWFJ-UHFFFAOYSA-N;534.5;4.7;10230370;;;CHEMBL139382;CACO;ECACO;25;0;"<a href=https://www.ebi.ac.uk/chembl/assay_report_card/CHEMBL656466/  target=_blank>CHEMBL656466</a>";;;;;;;;;-5.38;;;;;;;;;;;;"Genicot C, Christophe B, Collart P, Gillard M, Goossens L, Hénichart JP, Lassoie MA, Moureau F, Neuwels M, Nicolas JM, Pasau P, Quéré L, Ryckmans T, Stiernet F, Taverne T, Van Keulen BJ.: Discovery of orally bioavailable NK1 receptor antagonists. Bioorg Med Chem Lett, Volume 13 (3), 2003";ChEMBL
MM475246;MM475246;NC(=O)CN1CCN(C(COCc2cc(C(F)(F)F)cc(C(F)(F)F)c2)c2ccccc2)CC1;SQNYJTSIWKBHBD-FQEVSTJZSA-N;489.46;4.09;44358568;;;CHEMBL139499;CACO;ECACO;25;0;"<a href=https://www.ebi.ac.uk/chembl/assay_report_card/CHEMBL656466/  target=_blank>CHEMBL656466</a>";;;;;;;;;-5.1;;;;;;;;;;;;"Genicot C, Christophe B, Collart P, Gillard M, Goossens L, Hénichart JP, Lassoie MA, Moureau F, Neuwels M, Nicolas JM, Pasau P, Quéré L, Ryckmans T, Stiernet F, Taverne T, Van Keulen BJ.: Discovery of orally bioavailable NK1 receptor antagonists. Bioorg Med Chem Lett, Volume 13 (3), 2003";ChEMBL
MM475247;MM475247;COc1ccc(-n2nc(C)cc2C(=O)Nc2ccc(-c3ccccc3S(N)(=O)=O)cc2)cc1;VHPMRGRQOUULNW-UHFFFAOYSA-N;462.53;3.76;;;;;CACO;ECACO;25;0;"<a href=https://www.ebi.ac.uk/chembl/assay_report_card/CHEMBL638021/  target=_blank>CHEMBL638021</a>";;;;;;;;;-4.29;;;;;;;;;;;;"Pruitt JR, Pinto DJ, Galemmo RA, Alexander RS, Rossi KA, Wells BL, Drummond S, Bostrom LL, Burdick D, Bruckner R, Chen H, Smallwood A, Wong PC, Wright MR, Bai S, Luettgen JM, Knabb RM, Lam PY, Wexler RR.: Discovery of 1-(2-aminomethylphenyl)-3-trifluoromethyl-N- [3-fluoro-2'-(aminosulfonyl)[1,1'-biphenyl)]-4-yl]-1H-pyrazole-5-carboxyamide (DPC602), a potent, selective, and orally bioavailable factor Xa inhibitor(1). J Med Chem, Volume 46 (25), 2003";ChEMBL
MM475254;MM475254;c1ccc(Cn2ccnc2)cc1;KKKDZZRICRFGSD-UHFFFAOYSA-N;158.2;1.93;77918;;;CHEMBL14192;CACO;ECACO;25;0;"<a href=https://www.ebi.ac.uk/chembl/assay_report_card/CHEMBL619363/  target=_blank>CHEMBL619363</a>";;;;;;;;;-4.17;;;;;;;;;;;;"Fichert T, Yazdanian M, Proudfoot JR.: A structure-permeability study of small drug-like molecules. Bioorg Med Chem Lett, Volume 13 (4), 2003";ChEMBL
Warfarin;MM00095;CC(=O)CC(c1ccccc1)c1c(O)c2ccccc2oc1=O;PJVWKTKQMONHTI-UHFFFAOYSA-N;308.33;3.61;54678486;DB00682;;CHEMBL1464;CACO;ECACO;25;0;"<a href=https://www.ebi.ac.uk/chembl/assay_report_card/CHEMBL619358/  target=_blank>CHEMBL619358</a>";;;;;;;;;-4.42;;;;;;;;;;;;"Mandagere AK, Thompson TN, Hwang KK.: Graphical model for estimating oral bioavailability of drugs in humans and other species from their Caco-2 permeability and in vitro liver enzyme metabolic stability rates. J Med Chem, Volume 45 (2), 2002";ChEMBL
MM475255;MM475255;COc1ccc(-n2nc(C)cc2C(=O)Nc2ccc(-c3ccccc3S(N)(=O)=O)cn2)cc1;GIBFSRBTDFHVKQ-UHFFFAOYSA-N;463.52;3.15;;;;;CACO;ECACO;25;0;"<a href=https://www.ebi.ac.uk/chembl/assay_report_card/CHEMBL638021/  target=_blank>CHEMBL638021</a>";;;;;;;;;-5.96;;;;;;;;;;;;"Pruitt JR, Pinto DJ, Galemmo RA, Alexander RS, Rossi KA, Wells BL, Drummond S, Bostrom LL, Burdick D, Bruckner R, Chen H, Smallwood A, Wong PC, Wright MR, Bai S, Luettgen JM, Knabb RM, Lam PY, Wexler RR.: Discovery of 1-(2-aminomethylphenyl)-3-trifluoromethyl-N- [3-fluoro-2'-(aminosulfonyl)[1,1'-biphenyl)]-4-yl]-1H-pyrazole-5-carboxyamide (DPC602), a potent, selective, and orally bioavailable factor Xa inhibitor(1). J Med Chem, Volume 46 (25), 2003";ChEMBL
MM475256;MM475256;NC(=O)C1CCCN1C(=O)C(Cc1cnc[nH]1)NC(=O)C1CCC(=O)N1;XNSAINXGIQZQOO-SRVKXCTJSA-N;362.39;-1.81;638678;;;CHEMBL1472;CACO;ECACO;25;0;"<a href=https://www.ebi.ac.uk/chembl/assay_report_card/CHEMBL898108/  target=_blank>CHEMBL898108</a>";;;;;;;;;-6.83;;;;;;;;;;;;"Wessling ST, Ross BP, Koda Y, Blanchfield JT, Toth I.: Caco-2 cell permeability and stability of two d-glucopyranuronamide conjugates of thyrotropin-releasing hormone. Bioorg Med Chem, Volume 15 (14), 2007";ChEMBL
MM475259;MM475259;NCc1ccccc1-n1nc(C(F)(F)F)cc1C(=O)Nc1ccc(-c2ccccc2S(N)(=O)=O)cc1F;TYPXEIGMGZWOGB-UHFFFAOYSA-N;533.51;4.06;;;;;CACO;ECACO;25;0;"<a href=https://www.ebi.ac.uk/chembl/assay_report_card/CHEMBL638021/  target=_blank>CHEMBL638021</a>";;;;;;;;;-5.19;;;;;;;;;;;;"Pruitt JR, Pinto DJ, Galemmo RA, Alexander RS, Rossi KA, Wells BL, Drummond S, Bostrom LL, Burdick D, Bruckner R, Chen H, Smallwood A, Wong PC, Wright MR, Bai S, Luettgen JM, Knabb RM, Lam PY, Wexler RR.: Discovery of 1-(2-aminomethylphenyl)-3-trifluoromethyl-N- [3-fluoro-2'-(aminosulfonyl)[1,1'-biphenyl)]-4-yl]-1H-pyrazole-5-carboxyamide (DPC602), a potent, selective, and orally bioavailable factor Xa inhibitor(1). J Med Chem, Volume 46 (25), 2003";ChEMBL
MM475261;MM475261;CS(=O)(=O)c1ccccc1-c1ccc(NC(=O)c2cc(C(F)(F)F)nn2-c2cccc(CN)c2)cc1;KYWBDNUTAGEEDQ-UHFFFAOYSA-N;514.53;4.67;10555959;;;CHEMBL153946;CACO;ECACO;25;0;"<a href=https://www.ebi.ac.uk/chembl/assay_report_card/CHEMBL635761/  target=_blank>CHEMBL635761</a>";;;;;;;;;-5.47;;;;;;;;;;;;"Pinto DJ, Orwat MJ, Wang S, Fevig JM, Quan ML, Amparo E, Cacciola J, Rossi KA, Alexander RS, Smallwood AM, Luettgen JM, Liang L, Aungst BJ, Wright MR, Knabb RM, Wong PC, Wexler RR, Lam PY.: Discovery of 1-[3-(aminomethyl)phenyl]-N-3-fluoro-2'-(methylsulfonyl)-[1,1'-biphenyl]-4-yl]-3-(trifluoromethyl)-1H-pyrazole-5-carboxamide (DPC423), a highly potent, selective, and orally bioavailable inhibitor of blood coagulation factor Xa. J Med Chem, Volume 44 (4), 2001";ChEMBL
MM475262;MM475262;Cc1cc(C(=O)Nc2ccc(-c3ccccc3S(N)(=O)=O)cc2F)n(-c2cccc(CN)c2)n1;KELNLWXVDRBKCA-UHFFFAOYSA-N;479.54;3.35;;;;;CACO;ECACO;25;0;"<a href=https://www.ebi.ac.uk/chembl/assay_report_card/CHEMBL635761/  target=_blank>CHEMBL635761</a>";;;;;;;;;-6.02;;;;;;;;;;;;"Pinto DJ, Orwat MJ, Wang S, Fevig JM, Quan ML, Amparo E, Cacciola J, Rossi KA, Alexander RS, Smallwood AM, Luettgen JM, Liang L, Aungst BJ, Wright MR, Knabb RM, Wong PC, Wexler RR, Lam PY.: Discovery of 1-[3-(aminomethyl)phenyl]-N-3-fluoro-2'-(methylsulfonyl)-[1,1'-biphenyl]-4-yl]-3-(trifluoromethyl)-1H-pyrazole-5-carboxamide (DPC423), a highly potent, selective, and orally bioavailable inhibitor of blood coagulation factor Xa. J Med Chem, Volume 44 (4), 2001";ChEMBL
MM475263;MM475263;NCc1cccc(-n2nc(C(F)(F)F)cc2C(=O)Nc2ccc(-c3ccccc3S(N)(=O)=O)cc2F)c1;NMOZOQNFWYWZQF-UHFFFAOYSA-N;533.51;4.06;;;;;CACO;ECACO;25;0;"<a href=https://www.ebi.ac.uk/chembl/assay_report_card/CHEMBL635761/  target=_blank>CHEMBL635761</a>";;;;;;;;;-6.04;;;;;;;;;;;;"Pinto DJ, Orwat MJ, Wang S, Fevig JM, Quan ML, Amparo E, Cacciola J, Rossi KA, Alexander RS, Smallwood AM, Luettgen JM, Liang L, Aungst BJ, Wright MR, Knabb RM, Wong PC, Wexler RR, Lam PY.: Discovery of 1-[3-(aminomethyl)phenyl]-N-3-fluoro-2'-(methylsulfonyl)-[1,1'-biphenyl]-4-yl]-3-(trifluoromethyl)-1H-pyrazole-5-carboxamide (DPC423), a highly potent, selective, and orally bioavailable inhibitor of blood coagulation factor Xa. J Med Chem, Volume 44 (4), 2001";ChEMBL
MM475264;MM475264;Cc1cc(C(=O)Nc2ccc(-c3ccccc3S(C)(=O)=O)cc2)n(-c2cccc(CN)c2)n1;WJIPVTTXLNWLTQ-UHFFFAOYSA-N;460.56;3.96;10579028;;;CHEMBL156775;CACO;ECACO;25;0;"<a href=https://www.ebi.ac.uk/chembl/assay_report_card/CHEMBL635761/  target=_blank>CHEMBL635761</a>";;;;;;;;;-5.92;;;;;;;;;;;;"Pinto DJ, Orwat MJ, Wang S, Fevig JM, Quan ML, Amparo E, Cacciola J, Rossi KA, Alexander RS, Smallwood AM, Luettgen JM, Liang L, Aungst BJ, Wright MR, Knabb RM, Wong PC, Wexler RR, Lam PY.: Discovery of 1-[3-(aminomethyl)phenyl]-N-3-fluoro-2'-(methylsulfonyl)-[1,1'-biphenyl]-4-yl]-3-(trifluoromethyl)-1H-pyrazole-5-carboxamide (DPC423), a highly potent, selective, and orally bioavailable inhibitor of blood coagulation factor Xa. J Med Chem, Volume 44 (4), 2001";ChEMBL
Vinblastine;MM00586;CCC1(O)CC2CN(CCc3c([nH]c4ccccc34)C(C(=O)OC)(c3cc4c(cc3OC)N(C)C3C(O)(C(=O)OC)C(OC(C)=O)C5(CC)C=CCN6CCC43C65)C2)C1;JXLYSJRDGCGARV-UHFFFAOYSA-N;810.99;3.99;241903;DB00570;VLB;CHEMBL22969;CACO;ECACO;25;0;"<a href=https://www.ebi.ac.uk/chembl/assay_report_card/CHEMBL1015280/  target=_blank>CHEMBL1015280</a>";;;;;;;;;-6.29;;;;;;;;;;;;"Ettari R, Micale N, Schirmeister T, Gelhaus C, Leippe M, Nizi E, Di Francesco ME, Grasso S, Zappalà M.: Novel peptidomimetics containing a vinyl ester moiety as highly potent and selective falcipain-2 inhibitors. J Med Chem, Volume 52 (7), 2009";ChEMBL
MM475265;MM475265;Nc1nccc2cc(CC(NC(=O)CNS(=O)(=O)c3ccc4ccccc4c3)C(=O)N3CCCCC3)ccc12;JNGWPAXVXOJMED-UHFFFAOYSA-N;545.67;2.99;44374707;;;CHEMBL159435;CACO;ECACO;25;0;"<a href=https://www.ebi.ac.uk/chembl/assay_report_card/CHEMBL655613/  target=_blank>CHEMBL655613</a>";;;;;;;;;-5.72;;;;;;;;;;;;"Rewinkel JB, Lucas H, van Galen PJ, Noach AB, van Dinther TG, Rood AM, Jenneboer AJ, van Boeckel CA.: 1-Aminoisoquinoline as benzamidine isoster in the design and synthesis of orally active thrombin inhibitors. Bioorg Med Chem Lett, Volume 9 (5), 1999";ChEMBL
MM474359;MM474359;"CO/N=C(\C(=O)N[C@@H]1C(=O)N2C(C(=O)O)=C(CSc3nc(=O)c(O)nn3C)CS[C@H]12)c1csc(N)n1";VAAUVRVFOQPIGI-SPQHTLEESA-N;554.59;-1.2;;;;;CACO;ECACO;25;0;"<a href=https://www.ebi.ac.uk/chembl/assay_report_card/CHEMBL1074672/  target=_blank>CHEMBL1074672</a>";;;;;;;;;-6.88;;;;;;;;;;;;"Du-Cuny L, Song Z, Moses S, Powis G, Mash EA, Meuillet EJ, Zhang S.: Computational modeling of novel inhibitors targeting the Akt pleckstrin homology domain. Bioorg Med Chem, Volume 17 (19), 2009";ChEMBL
MM475268;MM475268;NC(=O)c1cccc(Cc2ncccn2)c1;VBVDJAQIFQGHBP-UHFFFAOYSA-N;213.24;1.17;44375993;;;CHEMBL162846;CACO;ECACO;25;0;"<a href=https://www.ebi.ac.uk/chembl/assay_report_card/CHEMBL619363/  target=_blank>CHEMBL619363</a>";;;;;;;;;-4.46;;;;;;;;;;;;"Fichert T, Yazdanian M, Proudfoot JR.: A structure-permeability study of small drug-like molecules. Bioorg Med Chem Lett, Volume 13 (4), 2003";ChEMBL
MM475269;MM475269;O=C(O)c1ccc(Cn2cccn2)cc1;ZHQQRHUITAFMTC-UHFFFAOYSA-N;202.21;1.63;6484268;;;CHEMBL162897;CACO;ECACO;25;0;"<a href=https://www.ebi.ac.uk/chembl/assay_report_card/CHEMBL619363/  target=_blank>CHEMBL619363</a>";;;;;;;;;-5.44;;;;;;;;;;;;"Fichert T, Yazdanian M, Proudfoot JR.: A structure-permeability study of small drug-like molecules. Bioorg Med Chem Lett, Volume 13 (4), 2003";ChEMBL
MM475270;MM475270;N#Cc1cccc(Cn2cccn2)c1;XBYBAGJXNBFJON-UHFFFAOYSA-N;183.21;1.8;24692093;;;CHEMBL162939;CACO;ECACO;25;0;"<a href=https://www.ebi.ac.uk/chembl/assay_report_card/CHEMBL619363/  target=_blank>CHEMBL619363</a>";;;;;;;;;-4.14;;;;;;;;;;;;"Fichert T, Yazdanian M, Proudfoot JR.: A structure-permeability study of small drug-like molecules. Bioorg Med Chem Lett, Volume 13 (4), 2003";ChEMBL
MM475272;MM475272;N#Cc1cccc(Cc2ncccn2)c1;ORUUEUDAGDOAFE-UHFFFAOYSA-N;195.23;1.94;44376045;;;CHEMBL163429;CACO;ECACO;25;0;"<a href=https://www.ebi.ac.uk/chembl/assay_report_card/CHEMBL619363/  target=_blank>CHEMBL619363</a>";;;;;;;;;-4.18;;;;;;;;;;;;"Fichert T, Yazdanian M, Proudfoot JR.: A structure-permeability study of small drug-like molecules. Bioorg Med Chem Lett, Volume 13 (4), 2003";ChEMBL
MM475273;MM475273;NC(=O)c1cccc(Cn2cccn2)c1;ASCGVLMPDBVQPU-UHFFFAOYSA-N;201.23;1.03;44375994;;;CHEMBL163451;CACO;ECACO;25;0;"<a href=https://www.ebi.ac.uk/chembl/assay_report_card/CHEMBL619363/  target=_blank>CHEMBL619363</a>";;;;;;;;;-4.35;;;;;;;;;;;;"Fichert T, Yazdanian M, Proudfoot JR.: A structure-permeability study of small drug-like molecules. Bioorg Med Chem Lett, Volume 13 (4), 2003";ChEMBL
MM475275;MM475275;O=C(O)c1ccc(Cc2ncccn2)cc1;MRWQACAGQLPROF-UHFFFAOYSA-N;214.22;1.77;44375667;;;CHEMBL163641;CACO;ECACO;25;0;"<a href=https://www.ebi.ac.uk/chembl/assay_report_card/CHEMBL619363/  target=_blank>CHEMBL619363</a>";;;;;;;;;-5.27;;;;;;;;;;;;"Fichert T, Yazdanian M, Proudfoot JR.: A structure-permeability study of small drug-like molecules. Bioorg Med Chem Lett, Volume 13 (4), 2003";ChEMBL
MM475276;MM475276;Nc1cccc(Cn2cnc3ccccc32)c1;PBCMAQMJRXLGTE-UHFFFAOYSA-N;223.28;2.67;20119598;;;CHEMBL163694;CACO;ECACO;25;0;"<a href=https://www.ebi.ac.uk/chembl/assay_report_card/CHEMBL619363/  target=_blank>CHEMBL619363</a>";;;;;;;;;-4.24;;;;;;;;;;;;"Fichert T, Yazdanian M, Proudfoot JR.: A structure-permeability study of small drug-like molecules. Bioorg Med Chem Lett, Volume 13 (4), 2003";ChEMBL
MM475277;MM475277;CS(=O)(=O)Nc1cccc(Cn2cnc3ccccc32)c1;QJFBALZHOBBCPS-UHFFFAOYSA-N;301.37;2.46;44375632;;;CHEMBL163823;CACO;ECACO;25;0;"<a href=https://www.ebi.ac.uk/chembl/assay_report_card/CHEMBL619363/  target=_blank>CHEMBL619363</a>";;;;;;;;;-4.63;;;;;;;;;;;;"Fichert T, Yazdanian M, Proudfoot JR.: A structure-permeability study of small drug-like molecules. Bioorg Med Chem Lett, Volume 13 (4), 2003";ChEMBL
MM475278;MM475278;N#Cc1cccc(Cn2ccnc2)c1;BTCQQQUDIZILEJ-UHFFFAOYSA-N;183.21;1.8;24692916;;;CHEMBL163922;CACO;ECACO;25;0;"<a href=https://www.ebi.ac.uk/chembl/assay_report_card/CHEMBL619363/  target=_blank>CHEMBL619363</a>";;;;;;;;;-4.17;;;;;;;;;;;;"Fichert T, Yazdanian M, Proudfoot JR.: A structure-permeability study of small drug-like molecules. Bioorg Med Chem Lett, Volume 13 (4), 2003";ChEMBL
MM475279;MM475279;N#Cc1cccc(Cn2cnc3ccccc32)c1;LXWMENDLAGLVFJ-UHFFFAOYSA-N;233.27;2.96;24699766;;;CHEMBL163981;CACO;ECACO;25;0;"<a href=https://www.ebi.ac.uk/chembl/assay_report_card/CHEMBL619363/  target=_blank>CHEMBL619363</a>";;;;;;;;;-4.18;;;;;;;;;;;;"Fichert T, Yazdanian M, Proudfoot JR.: A structure-permeability study of small drug-like molecules. Bioorg Med Chem Lett, Volume 13 (4), 2003";ChEMBL
MM475280;MM475280;O=C(O)c1cccc(Cn2cccn2)c1;UMYNAPRDOSIHOY-UHFFFAOYSA-N;202.21;1.63;1263648;;;CHEMBL164271;CACO;ECACO;25;0;"<a href=https://www.ebi.ac.uk/chembl/assay_report_card/CHEMBL619363/  target=_blank>CHEMBL619363</a>";;;;;;;;;-5.53;;;;;;;;;;;;"Fichert T, Yazdanian M, Proudfoot JR.: A structure-permeability study of small drug-like molecules. Bioorg Med Chem Lett, Volume 13 (4), 2003";ChEMBL
MM475281;MM475281;O=C(O)Cc1ccc(Cn2ccnc2)cc1;IAPNYZNTJQNQJK-UHFFFAOYSA-N;216.24;1.56;44375743;;;CHEMBL164365;CACO;ECACO;25;0;"<a href=https://www.ebi.ac.uk/chembl/assay_report_card/CHEMBL619363/  target=_blank>CHEMBL619363</a>";;;;;;;;;-6.15;;;;;;;;;;;;"Fichert T, Yazdanian M, Proudfoot JR.: A structure-permeability study of small drug-like molecules. Bioorg Med Chem Lett, Volume 13 (4), 2003";ChEMBL
MM475282;MM475282;Cc1c(NC(=O)OCC2COCCN2)cn2ncnc(Nc3ccc4c(cnn4Cc4cccc(F)c4)c3)c12;LUJZZYWHBDHDQX-QFIPXVFZSA-N;530.56;3.86;10437018;;;CHEMBL1645462;CACO;ECACO;25;0;"<a href=https://www.ebi.ac.uk/chembl/assay_report_card/CHEMBL1052837/  target=_blank>CHEMBL1052837</a>";;;;;;;;;-4.67;;;;;;;;;;;;"Gavai AV, Fink BE, Fairfax DJ, Martin GS, Rossiter LM, Holst CL, Kim SH, Leavitt KJ, Mastalerz H, Han WC, Norris D, Goyal B, Swaminathan S, Patel B, Mathur A, Vyas DM, Tokarski JS, Yu C, Oppenheimer S, Zhang H, Marathe P, Fargnoli J, Lee FY, Wong TW, Vite GD.: Discovery and preclinical evaluation of [4-[[1-(3-fluorophenyl)methyl]-1H-indazol-5-ylamino]-5-methylpyrrolo[2,1-f][1,2,4]triazin-6-yl]carbamic acid, (3S)-3-morpholinylmethyl ester (BMS-599626), a selective and orally efficacious inhibitor of human epidermal growth factor receptor 1 and 2 kinases. J Med Chem, Volume 52 (21), 2009";ChEMBL
MM475283;MM475283;CCC(C)C(NC(=O)C(CC(O)C(CC1CCCCC1)NC(=O)OC(C)(C)C)C(C)C)C(=O)NCc1ccccn1;SHXBHHDCBHQKLF-ISYMSECWSA-N;574.81;5.12;454914;;;CHEMBL166175;CACO;ECACO;25;0;"<a href=https://www.ebi.ac.uk/chembl/assay_report_card/CHEMBL633586/  target=_blank>CHEMBL633586</a>";;;;;;;;;-4.73;;;;;;;;;;;;10.1016/S0960-894X(00)80673-3;ChEMBL
MM475284;MM475284;CC[C@H](C)[C@H](NC(=O)[C@@H](C[C@H](O)[C@H](CC1CCCCC1)NC(C)=O)C(C)C)C(=O)NCc1ccccn1;KXAMGWBBXZAXQR-KKASSDGMSA-N;516.73;3.73;;;;;CACO;ECACO;25;0;"<a href=https://www.ebi.ac.uk/chembl/assay_report_card/CHEMBL633586/  target=_blank>CHEMBL633586</a>";;;;;;;;;-5.92;;;;;;;;;;;;10.1016/S0960-894X(00)80673-3;ChEMBL
MM475285;MM475285;COc1cccc(-n2c(=O)n(Cc3ccccc3C#N)c(=O)n(CC(N)c3ccccc3)c2=O)c1F;BZOJHIQSCLXVAL-FQEVSTJZSA-N;487.49;1.93;44388018;;;CHEMBL175443;CACO;ECACO;25;0;"<a href=https://www.ebi.ac.uk/chembl/assay_report_card/CHEMBL851904/  target=_blank>CHEMBL851904</a>";;;;;;;;;-4.59;;;;;;;;;;;;"Guo Z, Wu D, Zhu YF, Tucci FC, Regan CF, Rowbottom MW, Struthers RS, Xie Q, Reijmers S, Sullivan SK, Sai Y, Chen C.: Structure-activity relationships of 1,3,5-triazine-2,4,6-triones as human gonadotropin-releasing hormone receptor antagonists. Bioorg Med Chem Lett, Volume 15 (16), 2005";ChEMBL
MM475286;MM475286;Cc1nccn1-c1ccc(NC(=O)c2cc(C(F)(F)F)nn2-c2ccc3onc(N)c3c2)c(F)c1;NSBCPJHADHWACD-UHFFFAOYSA-N;485.4;4.5;11320069;;;CHEMBL175449;CACO;ECACO;25;0;"<a href=https://www.ebi.ac.uk/chembl/assay_report_card/CHEMBL838209/  target=_blank>CHEMBL838209</a>";;;;;;;;;-5.13;;;;;;;;;;;;"Quan ML, Lam PY, Han Q, Pinto DJ, He MY, Li R, Ellis CD, Clark CG, Teleha CA, Sun JH, Alexander RS, Bai S, Luettgen JM, Knabb RM, Wong PC, Wexler RR.: Discovery of 1-(3'-aminobenzisoxazol-5'-yl)-3-trifluoromethyl-N-[2-fluoro-4- [(2'-dimethylaminomethyl)imidazol-1-yl]phenyl]-1H-pyrazole-5-carboxyamide hydrochloride (razaxaban), a highly potent, selective, and orally bioavailable factor Xa inhibitor. J Med Chem, Volume 48 (6), 2005";ChEMBL
MM475287;MM475287;COc1ccc2ccc(S(=O)(=O)NC(Cc3ccc4ccnc(N)c4c3)C(=O)N3CCC(C)CC3)cc2c1;IEUYOUGDJWEGKK-UHFFFAOYSA-N;532.67;4.13;22665728;;;CHEMBL175546;CACO;ECACO;25;0;"<a href=https://www.ebi.ac.uk/chembl/assay_report_card/CHEMBL877667/  target=_blank>CHEMBL877667</a>";;;;;;;;;-5.28;;;;;;;;;;;;"Rewinkel JB, Lucas H, Smit MJ, Noach AB, van Dinther TG, Rood AM, Jenneboer AJ, van Boeckel CA.: Design, synthesis and testing of amino-bicycloaryl based orally bioavailable thrombin inhibitors. Bioorg Med Chem Lett, Volume 9 (19), 1999";ChEMBL
MM474758;MM474758;CN(CC(=O)O)C(=O)CN;;146.15;-1.51;;;;CHEMBL175737;CACO;ECACO;25;0;"<a href=https://www.ebi.ac.uk/chembl/assay_report_card/CHEMBL896858/  target=_blank>CHEMBL896858</a>";;;;;;;;;-4.96;;;;;;;;;;;;"Hubatsch I, Arvidsson PI, Seebach D, Luthman K, Artursson P.: Beta- and gamma-di- and tripeptides as potential substrates for the oligopeptide transporter hPepT1. J Med Chem, Volume 50 (21), 2007";ChEMBL
MM475288;MM475288;CS(=O)(=O)c1ccccc1-c1ccc(NC(=O)c2cc(C(F)(F)F)nn2-c2cccc(CN)c2)c(F)c1;ZLUOAFAJSUPHOG-UHFFFAOYSA-N;532.52;4.81;9895762;;;CHEMBL176140;CACO;ECACO;25;0;"<a href=https://www.ebi.ac.uk/chembl/assay_report_card/CHEMBL885807/  target=_blank>CHEMBL885807</a>";;;;;;;;;-5.32;;;;;;;;;;;;"Qiao JX, Cheng X, Smallheer JM, Galemmo RA, Drummond S, Pinto DJ, Cheney DL, He K, Wong PC, Luettgen JM, Knabb RM, Wexler RR, Lam PY.: Pyrazole-based factor Xa inhibitors containing N-arylpiperidinyl P4 residues. Bioorg Med Chem Lett, Volume 17 (5), 2007";ChEMBL
MM475289;MM475289;CCc1nccn1-c1ccc(NC(=O)c2cc(C(F)(F)F)nn2-c2ccc3onc(N)c3c2)c(F)c1;PNEWMVVHZXAPHB-UHFFFAOYSA-N;499.43;4.75;10141691;;;CHEMBL176494;CACO;ECACO;25;0;"<a href=https://www.ebi.ac.uk/chembl/assay_report_card/CHEMBL838209/  target=_blank>CHEMBL838209</a>";;;;;;;;;-5.48;;;;;;;;;;;;"Quan ML, Lam PY, Han Q, Pinto DJ, He MY, Li R, Ellis CD, Clark CG, Teleha CA, Sun JH, Alexander RS, Bai S, Luettgen JM, Knabb RM, Wong PC, Wexler RR.: Discovery of 1-(3'-aminobenzisoxazol-5'-yl)-3-trifluoromethyl-N-[2-fluoro-4- [(2'-dimethylaminomethyl)imidazol-1-yl]phenyl]-1H-pyrazole-5-carboxyamide hydrochloride (razaxaban), a highly potent, selective, and orally bioavailable factor Xa inhibitor. J Med Chem, Volume 48 (6), 2005";ChEMBL
MM475290;MM475290;CCC(C)C(NC(=O)C(CC(=O)O)NC(=O)C(CC(C)C)NC(=O)C(NC(C)=O)C1c2ccccc2CCc2ccccc21)C(=O)N(C)C(C(=O)NC(Cc1c[nH]c2ccccc12)C(=O)O)C(C)CC;IMUGSKXBYQZCBP-PXULEDTRSA-N;964.17;4.61;56679082;;;CHEMBL1790519;CACO;ECACO;25;0;"<a href=https://www.ebi.ac.uk/chembl/assay_report_card/CHEMBL653931/  target=_blank>CHEMBL653931</a>";;;;;;;;;-4.98;;;;;;;;;;;;"Cody WL, He JX, Reily MD, Haleen SJ, Walker DM, Reyner EL, Stewart BH, Doherty AM.: Design of a potent combined pseudopeptide endothelin-A/endothelin-B receptor antagonist, Ac-DBhg16-Leu-Asp-Ile-[NMe]Ile-Trp21 (PD 156252): examination of its pharmacokinetic and spectral properties. J Med Chem, Volume 40 (14), 1997";ChEMBL
MM475291;MM475291;Nc1noc2ccc(-n3nc(C(F)(F)F)cc3C(=O)Nc3ccc(-n4ccnc4CN4CCCC4)cc3F)cc12;GONSXYIFCYXXJP-UHFFFAOYSA-N;554.51;4.79;11181893;;;CHEMBL179665;CACO;ECACO;25;0;"<a href=https://www.ebi.ac.uk/chembl/assay_report_card/CHEMBL838209/  target=_blank>CHEMBL838209</a>";;;;;;;;;-4.64;;;;;;;;;;;;"Quan ML, Lam PY, Han Q, Pinto DJ, He MY, Li R, Ellis CD, Clark CG, Teleha CA, Sun JH, Alexander RS, Bai S, Luettgen JM, Knabb RM, Wong PC, Wexler RR.: Discovery of 1-(3'-aminobenzisoxazol-5'-yl)-3-trifluoromethyl-N-[2-fluoro-4- [(2'-dimethylaminomethyl)imidazol-1-yl]phenyl]-1H-pyrazole-5-carboxyamide hydrochloride (razaxaban), a highly potent, selective, and orally bioavailable factor Xa inhibitor. J Med Chem, Volume 48 (6), 2005";ChEMBL
MM475292;MM475292;COc1cccc(-c2c(C)n(Cc3c(F)cccc3F)c(=O)n(CC(N)c3ccccc3)c2=O)c1F;CJUWBZDJMYYRDG-QFIPXVFZSA-N;495.5;4.16;11167850;;;CHEMBL179691;CACO;ECACO;25;0;"<a href=https://www.ebi.ac.uk/chembl/assay_report_card/CHEMBL1008937/  target=_blank>CHEMBL1008937</a>";;;;;;;;;-4.75;;;;;;;;;;;;"Chen C, Wu D, Guo Z, Xie Q, Reinhart GJ, Madan A, Wen J, Chen T, Huang CQ, Chen M, Chen Y, Tucci FC, Rowbottom M, Pontillo J, Zhu YF, Wade W, Saunders J, Bozigian H, Struthers RS.: Discovery of sodium R-(+)-4-{2-[5-(2-fluoro-3-methoxyphenyl)-3-(2-fluoro-6-[trifluoromethyl]benzyl)-4-methyl-2,6-dioxo-3,6-dihydro-2H-pyrimidin-1-yl]-1-phenylethylamino}butyrate (elagolix), a potent and orally available nonpeptide antagonist of the human gonadotropin-releasing hormone receptor. J Med Chem, Volume 51 (23), 2008";ChEMBL
MM475293;MM475293;Cn1ccnc1-c1ccc(NC(=O)c2cc(C(F)(F)F)nn2-c2ccc3onc(N)c3c2)c(F)c1;JBAZPOYGAUQDAO-UHFFFAOYSA-N;485.4;4.41;10140911;;;CHEMBL179964;CACO;ECACO;25;0;"<a href=https://www.ebi.ac.uk/chembl/assay_report_card/CHEMBL838209/  target=_blank>CHEMBL838209</a>";;;;;;;;;-5.33;;;;;;;;;;;;"Quan ML, Lam PY, Han Q, Pinto DJ, He MY, Li R, Ellis CD, Clark CG, Teleha CA, Sun JH, Alexander RS, Bai S, Luettgen JM, Knabb RM, Wong PC, Wexler RR.: Discovery of 1-(3'-aminobenzisoxazol-5'-yl)-3-trifluoromethyl-N-[2-fluoro-4- [(2'-dimethylaminomethyl)imidazol-1-yl]phenyl]-1H-pyrazole-5-carboxyamide hydrochloride (razaxaban), a highly potent, selective, and orally bioavailable factor Xa inhibitor. J Med Chem, Volume 48 (6), 2005";ChEMBL
MM475294;MM475294;Cc1cc(COc2ccc(S(=O)(=O)CC3CN(C(C)C)CCC3C(=O)NO)cc2)c2ccccc2n1;RLQDDFZTFKMONF-UHFFFAOYSA-N;511.64;3.75;18002726;;;CHEMBL181807;CACO;ECACO;25;0;"<a href=https://www.ebi.ac.uk/chembl/assay_report_card/CHEMBL825963/  target=_blank>CHEMBL825963</a>";;;;;;;;;-7;;;;;;;;;;;;"Xue CB, Chen XT, He X, Roderick J, Corbett RL, Ghavimi B, Liu RQ, Covington MB, Qian M, Ribadeneira MD, Vaddi K, Trzaskos J, Newton RC, Duan JJ, Decicco CP.: Synthesis and structure-activity relationship of a novel sulfone series of TNF-alpha converting enzyme inhibitors. Bioorg Med Chem Lett, Volume 14 (17), 2004";ChEMBL
MM475295;MM475295;CC(Cc1c[nH]c2c(OS(C)(=O)=O)cccc12)NCC(O)c1cccc(OCc2ccccc2)c1;NOUCOYNKCVTYDV-CLOONOSVSA-N;494.61;4.34;44392508;;;CHEMBL182614;CACO;ECACO;25;0;"<a href=https://www.ebi.ac.uk/chembl/assay_report_card/CHEMBL838212/  target=_blank>CHEMBL838212</a>";;;;;;;;;-5.17;;;;;;;;;;;;"Sawa M, Mizuno K, Harada H, Tateishi H, Arai Y, Suzuki S, Oue M, Tsujiuchi H, Furutani Y, Kato S.: Tryptamine-based human beta3-adrenergic receptor agonists. Part 3: improved oral bioavailability via modification of the sulfonamide moiety. Bioorg Med Chem Lett, Volume 15 (4), 2005";ChEMBL
MM475296;MM475296;CC(Cc1c[nH]c2c(OS(C)(=O)=O)cccc12)NCC(O)c1cccc(NC(=O)c2ccccc2)c1;WYTFAQBIDABWBM-KOSHJBKYSA-N;507.61;4.01;44392490;;;CHEMBL182708;CACO;ECACO;25;0;"<a href=https://www.ebi.ac.uk/chembl/assay_report_card/CHEMBL825373/  target=_blank>CHEMBL825373</a>";;;;;;;;;-6.05;;;;;;;;;;;;"Sawa M, Mizuno K, Harada H, Tateishi H, Arai Y, Suzuki S, Oue M, Tsujiuchi H, Furutani Y, Kato S.: Tryptamine-based human beta3-adrenergic receptor agonists. Part 3: improved oral bioavailability via modification of the sulfonamide moiety. Bioorg Med Chem Lett, Volume 15 (4), 2005";ChEMBL
MM475297;MM475297;Cc1cc(COc2ccc(S(=O)(=O)CC3(CC(=O)NO)CCCN3C)cc2)c2ccccc2n1;VMEQJHZAHNCRQC-UHFFFAOYSA-N;483.59;3.26;10277706;;;CHEMBL182730;CACO;ECACO;25;0;"<a href=https://www.ebi.ac.uk/chembl/assay_report_card/CHEMBL825963/  target=_blank>CHEMBL825963</a>";;;;;;;;;-5.8;;;;;;;;;;;;"Xue CB, Chen XT, He X, Roderick J, Corbett RL, Ghavimi B, Liu RQ, Covington MB, Qian M, Ribadeneira MD, Vaddi K, Trzaskos J, Newton RC, Duan JJ, Decicco CP.: Synthesis and structure-activity relationship of a novel sulfone series of TNF-alpha converting enzyme inhibitors. Bioorg Med Chem Lett, Volume 14 (17), 2004";ChEMBL
MM475298;MM475298;Cc1cc(COc2ccc(S(=O)(=O)CC3CCNCC3C(=O)NO)cc2)c2ccccc2n1;VTKKCTKODCNOOX-UHFFFAOYSA-N;469.56;2.63;18002764;;;CHEMBL183431;CACO;ECACO;25;0;"<a href=https://www.ebi.ac.uk/chembl/assay_report_card/CHEMBL825963/  target=_blank>CHEMBL825963</a>";;;;;;;;;-7;;;;;;;;;;;;"Xue CB, Chen XT, He X, Roderick J, Corbett RL, Ghavimi B, Liu RQ, Covington MB, Qian M, Ribadeneira MD, Vaddi K, Trzaskos J, Newton RC, Duan JJ, Decicco CP.: Synthesis and structure-activity relationship of a novel sulfone series of TNF-alpha converting enzyme inhibitors. Bioorg Med Chem Lett, Volume 14 (17), 2004";ChEMBL
MM475299;MM475299;Cc1cc(COc2ccc(S(=O)(=O)CC3(CC(=O)NO)CCCO3)cc2)c2ccccc2n1;LCIIHDPWZSSNGB-UHFFFAOYSA-N;470.55;3.34;10183693;;;CHEMBL183868;CACO;ECACO;25;0;"<a href=https://www.ebi.ac.uk/chembl/assay_report_card/CHEMBL825963/  target=_blank>CHEMBL825963</a>";;;;;;;;;-5.3;;;;;;;;;;;;"Xue CB, Chen XT, He X, Roderick J, Corbett RL, Ghavimi B, Liu RQ, Covington MB, Qian M, Ribadeneira MD, Vaddi K, Trzaskos J, Newton RC, Duan JJ, Decicco CP.: Synthesis and structure-activity relationship of a novel sulfone series of TNF-alpha converting enzyme inhibitors. Bioorg Med Chem Lett, Volume 14 (17), 2004";ChEMBL
9-hyroxyethoxymethylguanine;MM00074;Nc1nc(=O)c2ncn(COCCO)c2[nH]1;MKUXAQIIEYXACX-UHFFFAOYSA-N;225.21;-1.33;2022;DB00787;AC2;CHEMBL184;CACO;ECACO;25;0;"<a href=https://www.ebi.ac.uk/chembl/assay_report_card/CHEMBL1074672/  target=_blank>CHEMBL1074672</a>";;;;;;;;;-6.15;;;;;;;;;;;;"Du-Cuny L, Song Z, Moses S, Powis G, Mash EA, Meuillet EJ, Zhang S.: Computational modeling of novel inhibitors targeting the Akt pleckstrin homology domain. Bioorg Med Chem, Volume 17 (19), 2009";ChEMBL
MM475300;MM475300;Cc1cc(COc2ccc(S(=O)(=O)CC3NCCCC3C(=O)NO)cc2)c2ccccc2n1;QDMJDGKLXWJUSU-UHFFFAOYSA-N;469.56;2.77;18002729;;;CHEMBL184062;CACO;ECACO;25;0;"<a href=https://www.ebi.ac.uk/chembl/assay_report_card/CHEMBL825963/  target=_blank>CHEMBL825963</a>";;;;;;;;;-7;;;;;;;;;;;;"Xue CB, Chen XT, He X, Roderick J, Corbett RL, Ghavimi B, Liu RQ, Covington MB, Qian M, Ribadeneira MD, Vaddi K, Trzaskos J, Newton RC, Duan JJ, Decicco CP.: Synthesis and structure-activity relationship of a novel sulfone series of TNF-alpha converting enzyme inhibitors. Bioorg Med Chem Lett, Volume 14 (17), 2004";ChEMBL
MM475301;MM475301;Cc1cc(COc2ccc(S(=O)(=O)CC3CN(C)CCC3C(=O)NO)cc2)c2ccccc2n1;ZLXSMXRIMOZSHG-UHFFFAOYSA-N;483.59;2.97;18002715;;;CHEMBL184265;CACO;ECACO;25;0;"<a href=https://www.ebi.ac.uk/chembl/assay_report_card/CHEMBL825963/  target=_blank>CHEMBL825963</a>";;;;;;;;;-7;;;;;;;;;;;;"Xue CB, Chen XT, He X, Roderick J, Corbett RL, Ghavimi B, Liu RQ, Covington MB, Qian M, Ribadeneira MD, Vaddi K, Trzaskos J, Newton RC, Duan JJ, Decicco CP.: Synthesis and structure-activity relationship of a novel sulfone series of TNF-alpha converting enzyme inhibitors. Bioorg Med Chem Lett, Volume 14 (17), 2004";ChEMBL
MM475302;MM475302;Cc1cc(COc2ccc(S(=O)(=O)CC3(CC(=O)NO)CCN(C(C)C)C3)cc2)c2ccccc2n1;AENHIDVKFOYIJJ-UHFFFAOYSA-N;511.64;3.89;10207780;;;CHEMBL184553;CACO;ECACO;25;0;"<a href=https://www.ebi.ac.uk/chembl/assay_report_card/CHEMBL825963/  target=_blank>CHEMBL825963</a>";;;;;;;;;-6.7;;;;;;;;;;;;"Xue CB, Chen XT, He X, Roderick J, Corbett RL, Ghavimi B, Liu RQ, Covington MB, Qian M, Ribadeneira MD, Vaddi K, Trzaskos J, Newton RC, Duan JJ, Decicco CP.: Synthesis and structure-activity relationship of a novel sulfone series of TNF-alpha converting enzyme inhibitors. Bioorg Med Chem Lett, Volume 14 (17), 2004";ChEMBL
MM475303;MM475303;CC(Cc1c[nH]c2c(OS(C)(=O)=O)cccc12)NCC(O)c1cccc(OS(=O)(=O)c2ccccc2)c1;PGIVEOHZAMQLKP-KOSHJBKYSA-N;544.65;3.53;44392569;;;CHEMBL184584;CACO;ECACO;25;0;"<a href=https://www.ebi.ac.uk/chembl/assay_report_card/CHEMBL838212/  target=_blank>CHEMBL838212</a>";;;;;;;;;-5.15;;;;;;;;;;;;"Sawa M, Mizuno K, Harada H, Tateishi H, Arai Y, Suzuki S, Oue M, Tsujiuchi H, Furutani Y, Kato S.: Tryptamine-based human beta3-adrenergic receptor agonists. Part 3: improved oral bioavailability via modification of the sulfonamide moiety. Bioorg Med Chem Lett, Volume 15 (4), 2005";ChEMBL
MM475304;MM475304;Cc1cc(COc2ccc(S(=O)(=O)CC3(CC(=O)NO)CCNC3)cc2)c2ccccc2n1;QKSLJJWUWAALHK-UHFFFAOYSA-N;469.56;2.77;10162245;;;CHEMBL184782;CACO;ECACO;25;0;"<a href=https://www.ebi.ac.uk/chembl/assay_report_card/CHEMBL825963/  target=_blank>CHEMBL825963</a>";;;;;;;;;-7;;;;;;;;;;;;"Xue CB, Chen XT, He X, Roderick J, Corbett RL, Ghavimi B, Liu RQ, Covington MB, Qian M, Ribadeneira MD, Vaddi K, Trzaskos J, Newton RC, Duan JJ, Decicco CP.: Synthesis and structure-activity relationship of a novel sulfone series of TNF-alpha converting enzyme inhibitors. Bioorg Med Chem Lett, Volume 14 (17), 2004";ChEMBL
MM475305;MM475305;Cc1cc(COc2ccc(S(=O)(=O)CC3(CC(=O)NO)CCCN3CC(C)C)cc2)c2ccccc2n1;JCNKARFKCMFPMK-UHFFFAOYSA-N;525.67;4.28;10230012;;;CHEMBL184889;CACO;ECACO;25;0;"<a href=https://www.ebi.ac.uk/chembl/assay_report_card/CHEMBL825963/  target=_blank>CHEMBL825963</a>";;;;;;;;;-6.15;;;;;;;;;;;;"Xue CB, Chen XT, He X, Roderick J, Corbett RL, Ghavimi B, Liu RQ, Covington MB, Qian M, Ribadeneira MD, Vaddi K, Trzaskos J, Newton RC, Duan JJ, Decicco CP.: Synthesis and structure-activity relationship of a novel sulfone series of TNF-alpha converting enzyme inhibitors. Bioorg Med Chem Lett, Volume 14 (17), 2004";ChEMBL
MM475306;MM475306;CCC(C)N1CCC(C(=O)NO)C(CS(=O)(=O)c2ccc(OCc3cc(C)nc4ccccc34)cc2)C1;XDBJJTDYSZNDQT-UHFFFAOYSA-N;525.67;4.14;44393520;;;CHEMBL184942;CACO;ECACO;25;0;"<a href=https://www.ebi.ac.uk/chembl/assay_report_card/CHEMBL825963/  target=_blank>CHEMBL825963</a>";;;;;;;;;-5.74;;;;;;;;;;;;"Xue CB, Chen XT, He X, Roderick J, Corbett RL, Ghavimi B, Liu RQ, Covington MB, Qian M, Ribadeneira MD, Vaddi K, Trzaskos J, Newton RC, Duan JJ, Decicco CP.: Synthesis and structure-activity relationship of a novel sulfone series of TNF-alpha converting enzyme inhibitors. Bioorg Med Chem Lett, Volume 14 (17), 2004";ChEMBL
MM475307;MM475307;C=CCN1CCC(C(=O)NO)C(CS(=O)(=O)c2ccc(OCc3cc(C)nc4ccccc34)cc2)C1;PGTJOSSSBWAALE-UHFFFAOYSA-N;509.63;3.53;18002722;;;CHEMBL185159;CACO;ECACO;25;0;"<a href=https://www.ebi.ac.uk/chembl/assay_report_card/CHEMBL825963/  target=_blank>CHEMBL825963</a>";;;;;;;;;-6.01;;;;;;;;;;;;"Xue CB, Chen XT, He X, Roderick J, Corbett RL, Ghavimi B, Liu RQ, Covington MB, Qian M, Ribadeneira MD, Vaddi K, Trzaskos J, Newton RC, Duan JJ, Decicco CP.: Synthesis and structure-activity relationship of a novel sulfone series of TNF-alpha converting enzyme inhibitors. Bioorg Med Chem Lett, Volume 14 (17), 2004";ChEMBL
MM475308;MM475308;Cc1cc(COc2ccc(S(=O)(=O)CC3NCCC3C(=O)NO)cc2)c2ccccc2n1;NWEMVUGYMZFTLT-UHFFFAOYSA-N;455.54;2.38;18002736;;;CHEMBL185279;CACO;ECACO;25;0;"<a href=https://www.ebi.ac.uk/chembl/assay_report_card/CHEMBL825963/  target=_blank>CHEMBL825963</a>";;;;;;;;;-7;;;;;;;;;;;;"Xue CB, Chen XT, He X, Roderick J, Corbett RL, Ghavimi B, Liu RQ, Covington MB, Qian M, Ribadeneira MD, Vaddi K, Trzaskos J, Newton RC, Duan JJ, Decicco CP.: Synthesis and structure-activity relationship of a novel sulfone series of TNF-alpha converting enzyme inhibitors. Bioorg Med Chem Lett, Volume 14 (17), 2004";ChEMBL
MM475309;MM475309;Cc1cc(COc2ccc(S(=O)(=O)CC3CCN(C(C)C)CC3C(=O)NO)cc2)c2ccccc2n1;IFZNBBFLMYGGPO-UHFFFAOYSA-N;511.64;3.75;18002765;;;CHEMBL185521;CACO;ECACO;25;0;"<a href=https://www.ebi.ac.uk/chembl/assay_report_card/CHEMBL825963/  target=_blank>CHEMBL825963</a>";;;;;;;;;-6.19;;;;;;;;;;;;"Xue CB, Chen XT, He X, Roderick J, Corbett RL, Ghavimi B, Liu RQ, Covington MB, Qian M, Ribadeneira MD, Vaddi K, Trzaskos J, Newton RC, Duan JJ, Decicco CP.: Synthesis and structure-activity relationship of a novel sulfone series of TNF-alpha converting enzyme inhibitors. Bioorg Med Chem Lett, Volume 14 (17), 2004";ChEMBL
MM474574;MM474574;CCCc1nn(C)c2c(=O)[nH]c(-c3cc(S(=O)(=O)N4CCN(C)CC4)ccc3OCC)nc12;;474.59;1.61;;;;CHEMBL192;CACO;ECACO;25;0;"<a href=https://www.ebi.ac.uk/chembl/assay_report_card/CHEMBL635760/  target=_blank>CHEMBL635760</a>";;;;;;;;;-4.32;;;;;;;;;;;;"Stenberg P, Norinder U, Luthman K, Artursson P.: Experimental and computational screening models for the prediction of intestinal drug absorption. J Med Chem, Volume 44 (12), 2001";ChEMBL
MM474574;MM474574;CCCc1nn(C)c2c(=O)[nH]c(-c3cc(S(=O)(=O)N4CCN(C)CC4)ccc3OCC)nc12;;474.59;1.61;;;;CHEMBL192;CACO;ECACO;25;0;"<a href=https://www.ebi.ac.uk/chembl/assay_report_card/CHEMBL638024/  target=_blank>CHEMBL638024</a>";;;;;;;;;-4.06;;;;;;;;;;;;"Stenberg P, Norinder U, Luthman K, Artursson P.: Experimental and computational screening models for the prediction of intestinal drug absorption. J Med Chem, Volume 44 (12), 2001";ChEMBL
MM475315;MM475315;Oc1cccc(-c2ccc3cc(O)ccc3c2)c1;VHWBXEUHUQDHDH-UHFFFAOYSA-N;236.27;3.92;10192730;;;CHEMBL195217;CACO;ECACO;25;0;"<a href=https://www.ebi.ac.uk/chembl/assay_report_card/CHEMBL929270/  target=_blank>CHEMBL929270</a>";;;;;;;;;-5.05;;;;;;;;;;;;"Frotscher M, Ziegler E, Marchais-Oberwinkler S, Kruchten P, Neugebauer A, Fetzer L, Scherer C, Müller-Vieira U, Messinger J, Thole H, Hartmann RW.: Design, synthesis, and biological evaluation of (hydroxyphenyl)naphthalene and -quinoline derivatives: potent and selective nonsteroidal inhibitors of 17beta-hydroxysteroid dehydrogenase type 1 (17beta-HSD1) for the treatment of estrogen-dependent diseases. J Med Chem, Volume 51 (7), 2008";ChEMBL
MM475317;MM475317;CC(=O)c1sc(NC(=O)NC2CCCCC2CN2CCCC(Cc3ccc(F)cc3)C2)nc1C;NDZYPHLNJZSQJY-QNWVGRARSA-N;486.66;5.43;11329244;;;CHEMBL195433;CACO;ECACO;25;0;"<a href=https://www.ebi.ac.uk/chembl/assay_report_card/CHEMBL851906/  target=_blank>CHEMBL851906</a>";;;;;;;;;-5.22;;;;;;;;;;;;"De Lucca GV, Kim UT, Vargo BJ, Duncia JV, Santella JB, Gardner DS, Zheng C, Liauw A, Wang Z, Emmett G, Wacker DA, Welch PK, Covington M, Stowell NC, Wadman EA, Das AM, Davies P, Yeleswaram S, Graden DM, Solomon KA, Newton RC, Trainor GL, Decicco CP, Ko SS.: Discovery of CC chemokine receptor-3 (CCR3) antagonists with picomolar potency. J Med Chem, Volume 48 (6), 2005";ChEMBL
MM475318;MM475318;COC(=O)NC(C(=O)NN(Cc1ccc(Br)cc1)CC(O)(Cc1ccccc1)C(=O)NC1c2ccccc2CC1O)C(C)(C)C;JTIFBCHFPVQSEH-UNMGZEBXSA-N;681.63;3.8;11513133;;;CHEMBL197500;CACO;ECACO;25;0;"<a href=https://www.ebi.ac.uk/chembl/assay_report_card/CHEMBL867573/  target=_blank>CHEMBL867573</a>";;;;;;;;;-4.38;;;;;;;;;;;;"Ekegren JK, Unge T, Safa MZ, Wallberg H, Samuelsson B, Hallberg A.: A new class of HIV-1 protease inhibitors containing a tertiary alcohol in the transition-state mimicking scaffold. J Med Chem, Volume 48 (25), 2005";ChEMBL
MM475319;MM475319;COc1ccc2onc(N3CCN(CCCCNC(=O)c4ccc(N5CCOCC5)cc4)CC3)c2c1;DTUIKCYPLPUCPC-UHFFFAOYSA-N;493.61;3.01;11569488;;;CHEMBL197660;CACO;ECACO;25;0;"<a href=https://www.ebi.ac.uk/chembl/assay_report_card/CHEMBL861802/  target=_blank>CHEMBL861802</a>";;;;;;;;;-4.44;;;;;;;;;;;;"Leopoldo M, Lacivita E, De Giorgio P, Colabufo NA, Niso M, Berardi F, Perrone R.: Design, synthesis, and binding affinities of potential positron emission tomography (PET) ligands for visualization of brain dopamine D3 receptors. J Med Chem, Volume 49 (1), 2006";ChEMBL
MM475320;MM475320;Cc1ccc(C(=O)Nc2ccon2)cc1Nc1ncnc(NC(C)C)c1C#N;QWHMQQHHLRCLLD-UHFFFAOYSA-N;377.41;3.46;11660832;;;CHEMBL198876;CACO;ECACO;25;0;"<a href=https://www.ebi.ac.uk/chembl/assay_report_card/CHEMBL881421/  target=_blank>CHEMBL881421</a>";;;;;;;;;-4.62;;;;;;;;;;;;"Liu C, Wrobleski ST, Lin J, Ahmed G, Metzger A, Wityak J, Gillooly KM, Shuster DJ, McIntyre KW, Pitt S, Shen DR, Zhang RF, Zhang H, Doweyko AM, Diller D, Henderson I, Barrish JC, Dodd JH, Schieven GL, Leftheris K.: 5-Cyanopyrimidine derivatives as a novel class of potent, selective, and orally active inhibitors of p38alpha MAP kinase. J Med Chem, Volume 48 (20), 2005";ChEMBL
MM475321;MM475321;COc1ccc2onc(N3CCN(CCCCNC(=O)c4ccc(-n5ccnc5)cc4)CC3)c2c1;VAEZCFWPDODBFF-UHFFFAOYSA-N;474.57;3.35;11569099;;;CHEMBL199329;CACO;ECACO;25;0;"<a href=https://www.ebi.ac.uk/chembl/assay_report_card/CHEMBL861802/  target=_blank>CHEMBL861802</a>";;;;;;;;;-5.18;;;;;;;;;;;;"Leopoldo M, Lacivita E, De Giorgio P, Colabufo NA, Niso M, Berardi F, Perrone R.: Design, synthesis, and binding affinities of potential positron emission tomography (PET) ligands for visualization of brain dopamine D3 receptors. J Med Chem, Volume 49 (1), 2006";ChEMBL
MM475324;MM475324;COc1ccc2onc(N3CCN(CCCCNC(=O)c4cc(-c5ccco5)[nH]n4)CC3)c2c1;MQCABDUKZLMPQP-UHFFFAOYSA-N;464.53;3.15;11605088;;;CHEMBL199836;CACO;ECACO;25;0;"<a href=https://www.ebi.ac.uk/chembl/assay_report_card/CHEMBL861802/  target=_blank>CHEMBL861802</a>";;;;;;;;;-5.13;;;;;;;;;;;;"Leopoldo M, Lacivita E, De Giorgio P, Colabufo NA, Niso M, Berardi F, Perrone R.: Design, synthesis, and binding affinities of potential positron emission tomography (PET) ligands for visualization of brain dopamine D3 receptors. J Med Chem, Volume 49 (1), 2006";ChEMBL
MM474963;MM474963;CN1C(=O)C(C(=O)Nc2nncs2)c2cc3occc3cc21;;314.33;1.98;11438405;;;CHEMBL200906;CACO;ECACO;25;0;"<a href=https://www.ebi.ac.uk/chembl/assay_report_card/CHEMBL860259/  target=_blank>CHEMBL860259</a>";;;;;;;;;-5.3;;;;;;;;;;;;"Chambers RJ, Abrams K, Garceau NY, Kamath AV, Manley CM, Lilley SC, Otte DA, Scott DO, Sheils AL, Tess DA, Vellekoop AS, Zhang Y, Lam KT.: A new chemical tool for exploring the physiological function of the PDE2 isozyme. Bioorg Med Chem Lett, Volume 16 (2), 2006";ChEMBL
MM474963;MM474963;CN1C(=O)C(C(=O)Nc2nncs2)c2cc3occc3cc21;;314.33;1.98;11438405;;;CHEMBL200906;CACO;ECACO;25;0;"<a href=https://www.ebi.ac.uk/chembl/assay_report_card/CHEMBL860260/  target=_blank>CHEMBL860260</a>";;;;;;;;;-4.49;;;;;;;;;;;;"Chambers RJ, Abrams K, Garceau NY, Kamath AV, Manley CM, Lilley SC, Otte DA, Scott DO, Sheils AL, Tess DA, Vellekoop AS, Zhang Y, Lam KT.: A new chemical tool for exploring the physiological function of the PDE2 isozyme. Bioorg Med Chem Lett, Volume 16 (2), 2006";ChEMBL
MM475327;MM475327;Cc1cn(CCCCN2CCN(c3cc(C(F)(F)F)nc(C(C)(C)C)n3)CC2)c(=O)[nH]c1=O;LRAYIUHUAWSEDX-UHFFFAOYSA-N;468.52;2.55;9806160;;;CHEMBL201115;CACO;ECACO;25;0;"<a href=https://www.ebi.ac.uk/chembl/assay_report_card/CHEMBL865870/  target=_blank>CHEMBL865870</a>";;;;;;;;;-5.71;;;;;;;;;;;;"Geneste H, Backfisch G, Braje W, Delzer J, Haupt A, Hutchins CW, King LL, Kling A, Teschendorf HJ, Unger L, Wernet W.: Synthesis and SAR of highly potent and selective dopamine D(3)-receptor antagonists: 1H-pyrimidin-2-one derivatives. Bioorg Med Chem Lett, Volume 16 (3), 2006";ChEMBL
MM475328;MM475328;O=C(O)Cc1ccc(C(=O)c2ccc(Oc3ccc(Br)cc3)cc2)cc1;XVHMPUZJYISELN-UHFFFAOYSA-N;411.25;5.1;;;;;CACO;ECACO;25;0;"<a href=https://www.ebi.ac.uk/chembl/assay_report_card/CHEMBL859819/  target=_blank>CHEMBL859819</a>";;;;;;;;;-5.18;;;;;;;;;;;;"Salem OI, Frotscher M, Scherer C, Neugebauer A, Biemel K, Streiber M, Maas R, Hartmann RW.: Novel 5alpha-reductase inhibitors: synthesis, structure-activity studies, and pharmacokinetic profile of phenoxybenzoylphenyl acetic acids. J Med Chem, Volume 49 (2), 2006";ChEMBL
MM475329;MM475329;CC(C)(C)c1nc(N2CCN(CCCCN3C(=O)CCC(=O)c4ccccc43)CC2)cc(C(F)(F)F)n1;FKHBHNWGBJHKGW-UHFFFAOYSA-N;517.6;4.7;11237664;;;CHEMBL201232;CACO;ECACO;25;0;"<a href=https://www.ebi.ac.uk/chembl/assay_report_card/CHEMBL853614/  target=_blank>CHEMBL853614</a>";;;;;;;;;-6.48;;;;;;;;;;;;"Geneste H, Backfisch G, Braje W, Delzer J, Haupt A, Hutchins CW, King LL, Lubisch W, Steiner G, Teschendorf HJ, Unger L, Wernet W.: Synthesis and SAR of highly potent and selective dopamine D(3)-receptor antagonists: Quinolin(di)one and benzazepin(di)one derivatives. herve.geneste@abbott.com. Bioorg Med Chem Lett, Volume 16 (3), 2006";ChEMBL
MM475334;MM475334;CN(C(=O)COc1ccccc1)c1ccc(C(O)(C(F)(F)F)C(F)(F)F)cc1;HQAGTEJQOVMWJI-UHFFFAOYSA-N;407.31;4.04;4610393;;;CHEMBL203290;CACO;ECACO;25;0;"<a href=https://www.ebi.ac.uk/chembl/assay_report_card/CHEMBL859663/  target=_blank>CHEMBL859663</a>";;;;;;;;;-4.54;;;;;;;;;;;;"Cheng JF, Chen M, Wallace D, Tith S, Haramura M, Liu B, Mak CC, Arrhenius T, Reily S, Brown S, Thorn V, Harmon C, Barr R, Dyck JR, Lopaschuk GD, Nadzan AM.: Synthesis and structure-activity relationship of small-molecule malonyl coenzyme A decarboxylase inhibitors. J Med Chem, Volume 49 (5), 2006";ChEMBL
MM475335;MM475335;O=C(Nc1cc(-c2ccnc(Nc3ccccc3)c2)ccn1)C1CCOC1;YZIQMIAREGGHFQ-UHFFFAOYSA-N;360.42;3.86;10247954;;;CHEMBL203535;CACO;ECACO;25;0;"<a href=https://www.ebi.ac.uk/chembl/assay_report_card/CHEMBL862183/  target=_blank>CHEMBL862183</a>";;;;;;;;;-4.52;;;;;;;;;;;;"Swahn BM, Xue Y, Arzel E, Kallin E, Magnus A, Plobeck N, Viklund J.: Design and synthesis of 2'-anilino-4,4'-bipyridines as selective inhibitors of c-Jun N-terminal kinase-3. Bioorg Med Chem Lett, Volume 16 (5), 2006";ChEMBL
MM475336;MM475336;CCN(C(=O)c1ccc(C#N)cc1)c1ccc(C(O)(C(F)(F)F)C(F)(F)F)cc1;ZPVWDVAAUFFDHR-UHFFFAOYSA-N;416.32;4.54;10273363;;;CHEMBL203991;CACO;ECACO;25;0;"<a href=https://www.ebi.ac.uk/chembl/assay_report_card/CHEMBL859663/  target=_blank>CHEMBL859663</a>";;;;;;;;;-4.41;;;;;;;;;;;;"Cheng JF, Chen M, Wallace D, Tith S, Haramura M, Liu B, Mak CC, Arrhenius T, Reily S, Brown S, Thorn V, Harmon C, Barr R, Dyck JR, Lopaschuk GD, Nadzan AM.: Synthesis and structure-activity relationship of small-molecule malonyl coenzyme A decarboxylase inhibitors. J Med Chem, Volume 49 (5), 2006";ChEMBL
MM475337;MM475337;CC(C)C(=O)N(CCO)c1ccc(C(O)(C(F)(F)F)C(F)(F)F)cc1;KOALTMALKSJVNL-UHFFFAOYSA-N;373.29;2.98;11595890;;;CHEMBL204109;CACO;ECACO;25;0;"<a href=https://www.ebi.ac.uk/chembl/assay_report_card/CHEMBL859663/  target=_blank>CHEMBL859663</a>";;;;;;;;;-4.28;;;;;;;;;;;;"Cheng JF, Chen M, Wallace D, Tith S, Haramura M, Liu B, Mak CC, Arrhenius T, Reily S, Brown S, Thorn V, Harmon C, Barr R, Dyck JR, Lopaschuk GD, Nadzan AM.: Synthesis and structure-activity relationship of small-molecule malonyl coenzyme A decarboxylase inhibitors. J Med Chem, Volume 49 (5), 2006";ChEMBL
MM475338;MM475338;Nc1noc2ccc(-n3nc(C(F)(F)F)cc3C(=O)Nc3ccc(-c4ccccc4CN4CCCCC4)cc3F)cc12;JAMANIGSQMZMOS-UHFFFAOYSA-N;578.57;6.66;23646300;;;CHEMBL204416;CACO;ECACO;25;0;"<a href=https://www.ebi.ac.uk/chembl/assay_report_card/CHEMBL859920/  target=_blank>CHEMBL859920</a>";;;;;;;;;-5.05;;;;;;;;;;;;"Quan ML, Han Q, Fevig JM, Lam PY, Bai S, Knabb RM, Luettgen JM, Wong PC, Wexler RR.: Aminobenzisoxazoles with biaryl P4 moieties as potent, selective, and orally bioavailable factor Xa inhibitors. Bioorg Med Chem Lett, Volume 16 (7), 2006";ChEMBL
MM475339;MM475339;CNCc1ccccc1-c1ccc(NC(=O)c2cc(C(F)(F)F)nn2-c2ccc3onc(N)c3c2)c(F)c1;IUCPGZLVLKJARS-UHFFFAOYSA-N;524.48;5.39;23646289;;;CHEMBL204994;CACO;ECACO;25;0;"<a href=https://www.ebi.ac.uk/chembl/assay_report_card/CHEMBL859920/  target=_blank>CHEMBL859920</a>";;;;;;;;;-5.46;;;;;;;;;;;;"Quan ML, Han Q, Fevig JM, Lam PY, Bai S, Knabb RM, Luettgen JM, Wong PC, Wexler RR.: Aminobenzisoxazoles with biaryl P4 moieties as potent, selective, and orally bioavailable factor Xa inhibitors. Bioorg Med Chem Lett, Volume 16 (7), 2006";ChEMBL
MM475341;MM475341;Nc1noc2ccc(-n3nc(C(F)(F)F)cc3C(=O)Nc3ccc(-c4ccccc4CN4CC[C@H](N)C4)cc3F)cc12;YHIZCAWNRNQWMF-SFHVURJKSA-N;579.56;5.21;;;;;CACO;ECACO;25;0;"<a href=https://www.ebi.ac.uk/chembl/assay_report_card/CHEMBL859920/  target=_blank>CHEMBL859920</a>";;;;;;;;;-5.33;;;;;;;;;;;;"Quan ML, Han Q, Fevig JM, Lam PY, Bai S, Knabb RM, Luettgen JM, Wong PC, Wexler RR.: Aminobenzisoxazoles with biaryl P4 moieties as potent, selective, and orally bioavailable factor Xa inhibitors. Bioorg Med Chem Lett, Volume 16 (7), 2006";ChEMBL
MM475342;MM475342;Cc1cc(COc2ccc(C(=O)NC3(CC(=O)NO)CCCCC3)cc2)c2ccccc2n1;VRUYZVHIDJWWTM-UHFFFAOYSA-N;447.54;4.45;;;;;CACO;ECACO;25;0;"<a href=https://www.ebi.ac.uk/chembl/assay_report_card/CHEMBL853098/  target=_blank>CHEMBL853098</a>";;;;;;;;;-5.44;;;;;;;;;;;;"Gilmore JL, King BW, Harris C, Maduskuie T, Mercer SE, Liu RQ, Covington MB, Qian M, Ribadeneria MD, Vaddi K, Trzaskos JM, Newton RC, Decicco CP, Duan JJ.: Synthesis and structure-activity relationship of a novel, achiral series of TNF-alpha converting enzyme inhibitors. Bioorg Med Chem Lett, Volume 16 (10), 2006";ChEMBL
MM475344;MM475344;CCN(CCCCO)C(=O)N(CC)c1ccc(C(O)(C(F)(F)F)C(F)(F)F)cc1;HLBZTKNWROADNW-UHFFFAOYSA-N;430.39;4.04;11582784;;;CHEMBL205462;CACO;ECACO;25;0;"<a href=https://www.ebi.ac.uk/chembl/assay_report_card/CHEMBL859663/  target=_blank>CHEMBL859663</a>";;;;;;;;;-4.3;;;;;;;;;;;;"Cheng JF, Chen M, Wallace D, Tith S, Haramura M, Liu B, Mak CC, Arrhenius T, Reily S, Brown S, Thorn V, Harmon C, Barr R, Dyck JR, Lopaschuk GD, Nadzan AM.: Synthesis and structure-activity relationship of small-molecule malonyl coenzyme A decarboxylase inhibitors. J Med Chem, Volume 49 (5), 2006";ChEMBL
MM475345;MM475345;CCC1=C(c2cccnc2)CCc2ccccc21;ZKPVULIWDZEZIT-UHFFFAOYSA-N;235.33;4.35;6540051;;;CHEMBL205503;CACO;ECACO;25;0;"<a href=https://www.ebi.ac.uk/chembl/assay_report_card/CHEMBL859786/  target=_blank>CHEMBL859786</a>";;;;;;;;;-4.67;;;;;;;;;;;;"Voets M, Antes I, Scherer C, Müller-Vieira U, Biemel K, Marchais-Oberwinkler S, Hartmann RW.: Synthesis and evaluation of heteroaryl-substituted dihydronaphthalenes and indenes: potent and selective inhibitors of aldosterone synthase (CYP11B2) for the treatment of congestive heart failure and myocardial fibrosis. J Med Chem, Volume 49 (7), 2006";ChEMBL
MM475346;MM475346;Cc1cc(COc2ccc(C(=O)NC3(CC(=O)NO)CCN(C(C)(C)C)CC3)cc2)c2ccccc2n1;HBYOIHRPSQTDLO-UHFFFAOYSA-N;504.63;4.38;;;;;CACO;ECACO;25;0;"<a href=https://www.ebi.ac.uk/chembl/assay_report_card/CHEMBL853098/  target=_blank>CHEMBL853098</a>";;;;;;;;;-7;;;;;;;;;;;;"Gilmore JL, King BW, Harris C, Maduskuie T, Mercer SE, Liu RQ, Covington MB, Qian M, Ribadeneria MD, Vaddi K, Trzaskos JM, Newton RC, Decicco CP, Duan JJ.: Synthesis and structure-activity relationship of a novel, achiral series of TNF-alpha converting enzyme inhibitors. Bioorg Med Chem Lett, Volume 16 (10), 2006";ChEMBL
MM475347;MM475347;CN1CCN(Cc2ccccc2-c2ccc(NC(=O)c3cc(C(F)(F)F)nn3-c3ccc4onc(N)c4c3)c(F)c2)CC1;KDZYVICPZRDOIO-UHFFFAOYSA-N;593.59;5.42;23646302;;;CHEMBL205653;CACO;ECACO;25;0;"<a href=https://www.ebi.ac.uk/chembl/assay_report_card/CHEMBL859920/  target=_blank>CHEMBL859920</a>";;;;;;;;;-5.63;;;;;;;;;;;;"Quan ML, Han Q, Fevig JM, Lam PY, Bai S, Knabb RM, Luettgen JM, Wong PC, Wexler RR.: Aminobenzisoxazoles with biaryl P4 moieties as potent, selective, and orally bioavailable factor Xa inhibitors. Bioorg Med Chem Lett, Volume 16 (7), 2006";ChEMBL
MM475348;MM475348;C1=C(c2cccnc2)Cc2ccccc21;NNEAKBWZBQOQDH-UHFFFAOYSA-N;193.25;3.18;6540046;;;CHEMBL205782;CACO;ECACO;25;0;"<a href=https://www.ebi.ac.uk/chembl/assay_report_card/CHEMBL859786/  target=_blank>CHEMBL859786</a>";;;;;;;;;-5.18;;;;;;;;;;;;"Voets M, Antes I, Scherer C, Müller-Vieira U, Biemel K, Marchais-Oberwinkler S, Hartmann RW.: Synthesis and evaluation of heteroaryl-substituted dihydronaphthalenes and indenes: potent and selective inhibitors of aldosterone synthase (CYP11B2) for the treatment of congestive heart failure and myocardial fibrosis. J Med Chem, Volume 49 (7), 2006";ChEMBL
MM475349;MM475349;C1=C(c2cccnc2)CCc2ccccc21;AXLDMZNUHQOZFK-UHFFFAOYSA-N;207.28;3.57;6540047;;;CHEMBL205881;CACO;ECACO;25;0;"<a href=https://www.ebi.ac.uk/chembl/assay_report_card/CHEMBL859786/  target=_blank>CHEMBL859786</a>";;;;;;;;;-4.84;;;;;;;;;;;;"Voets M, Antes I, Scherer C, Müller-Vieira U, Biemel K, Marchais-Oberwinkler S, Hartmann RW.: Synthesis and evaluation of heteroaryl-substituted dihydronaphthalenes and indenes: potent and selective inhibitors of aldosterone synthase (CYP11B2) for the treatment of congestive heart failure and myocardial fibrosis. J Med Chem, Volume 49 (7), 2006";ChEMBL
MM475350;MM475350;Cc1cc(COc2ccc(C(=O)NC3(CC(=O)NO)CCN(C4=NCCS4)CC3)cc2)c2ccccc2n1;XNQVZVNWVMQCPC-UHFFFAOYSA-N;533.65;3.68;;;;;CACO;ECACO;25;0;"<a href=https://www.ebi.ac.uk/chembl/assay_report_card/CHEMBL853098/  target=_blank>CHEMBL853098</a>";;;;;;;;;-7;;;;;;;;;;;;"Gilmore JL, King BW, Harris C, Maduskuie T, Mercer SE, Liu RQ, Covington MB, Qian M, Ribadeneria MD, Vaddi K, Trzaskos JM, Newton RC, Decicco CP, Duan JJ.: Synthesis and structure-activity relationship of a novel, achiral series of TNF-alpha converting enzyme inhibitors. Bioorg Med Chem Lett, Volume 16 (10), 2006";ChEMBL
MM475351;MM475351;CCN(C(=O)N1CCOCC1)c1ccc(C(O)(C(F)(F)F)C(F)(F)F)cc1;ZMHUCHJRHVDHLO-UHFFFAOYSA-N;400.32;3.28;11625482;;;CHEMBL205931;CACO;ECACO;25;0;"<a href=https://www.ebi.ac.uk/chembl/assay_report_card/CHEMBL859663/  target=_blank>CHEMBL859663</a>";;;;;;;;;-4.17;;;;;;;;;;;;"Cheng JF, Chen M, Wallace D, Tith S, Haramura M, Liu B, Mak CC, Arrhenius T, Reily S, Brown S, Thorn V, Harmon C, Barr R, Dyck JR, Lopaschuk GD, Nadzan AM.: Synthesis and structure-activity relationship of small-molecule malonyl coenzyme A decarboxylase inhibitors. J Med Chem, Volume 49 (5), 2006";ChEMBL
MM475352;MM475352;CC1CC(c2cccnc2)=Cc2ccccc21;HIOBIABFPPEMPT-UHFFFAOYSA-N;221.3;4.13;6540053;;;CHEMBL206070;CACO;ECACO;25;0;"<a href=https://www.ebi.ac.uk/chembl/assay_report_card/CHEMBL859786/  target=_blank>CHEMBL859786</a>";;;;;;;;;-4.79;;;;;;;;;;;;"Voets M, Antes I, Scherer C, Müller-Vieira U, Biemel K, Marchais-Oberwinkler S, Hartmann RW.: Synthesis and evaluation of heteroaryl-substituted dihydronaphthalenes and indenes: potent and selective inhibitors of aldosterone synthase (CYP11B2) for the treatment of congestive heart failure and myocardial fibrosis. J Med Chem, Volume 49 (7), 2006";ChEMBL
MM475353;MM475353;O=C(O)CN(C(=O)CCc1ccccc1)c1ccc(C(O)(C(F)(F)F)C(F)(F)F)cc1;RXCYESDNNJKLOO-UHFFFAOYSA-N;449.35;4.05;11546847;;;CHEMBL206201;CACO;ECACO;25;0;"<a href=https://www.ebi.ac.uk/chembl/assay_report_card/CHEMBL859663/  target=_blank>CHEMBL859663</a>";;;;;;;;;-6.4;;;;;;;;;;;;"Cheng JF, Chen M, Wallace D, Tith S, Haramura M, Liu B, Mak CC, Arrhenius T, Reily S, Brown S, Thorn V, Harmon C, Barr R, Dyck JR, Lopaschuk GD, Nadzan AM.: Synthesis and structure-activity relationship of small-molecule malonyl coenzyme A decarboxylase inhibitors. J Med Chem, Volume 49 (5), 2006";ChEMBL
MM475354;MM475354;CC1=C(c2cccnc2)CCc2ccccc21;WBEMJRFRGOAAJI-UHFFFAOYSA-N;221.3;3.96;6540050;;;CHEMBL206283;CACO;ECACO;25;0;"<a href=https://www.ebi.ac.uk/chembl/assay_report_card/CHEMBL859786/  target=_blank>CHEMBL859786</a>";;;;;;;;;-5.47;;;;;;;;;;;;"Voets M, Antes I, Scherer C, Müller-Vieira U, Biemel K, Marchais-Oberwinkler S, Hartmann RW.: Synthesis and evaluation of heteroaryl-substituted dihydronaphthalenes and indenes: potent and selective inhibitors of aldosterone synthase (CYP11B2) for the treatment of congestive heart failure and myocardial fibrosis. J Med Chem, Volume 49 (7), 2006";ChEMBL
MM475355;MM475355;COc1ccc2c(c1)C=C(c1cccnc1)C2;KPJYOCDWGFDTFR-UHFFFAOYSA-N;223.28;3.19;6540048;;;CHEMBL206300;CACO;ECACO;25;0;"<a href=https://www.ebi.ac.uk/chembl/assay_report_card/CHEMBL859786/  target=_blank>CHEMBL859786</a>";;;;;;;;;-4.9;;;;;;;;;;;;"Voets M, Antes I, Scherer C, Müller-Vieira U, Biemel K, Marchais-Oberwinkler S, Hartmann RW.: Synthesis and evaluation of heteroaryl-substituted dihydronaphthalenes and indenes: potent and selective inhibitors of aldosterone synthase (CYP11B2) for the treatment of congestive heart failure and myocardial fibrosis. J Med Chem, Volume 49 (7), 2006";ChEMBL
MM475356;MM475356;CN(C)Cc1nccn1-c1ccc(NC(=O)c2cc(C(F)(F)F)nn2-c2ccc3onc(N)c3c2)c(F)c1;;528.47;4.25;204102;;;CHEMBL206335;CACO;ECACO;25;0;"<a href=https://www.ebi.ac.uk/chembl/assay_report_card/CHEMBL859920/  target=_blank>CHEMBL859920</a>";;;;;;;;;-5.25;;;;;;;;;;;;"Quan ML, Han Q, Fevig JM, Lam PY, Bai S, Knabb RM, Luettgen JM, Wong PC, Wexler RR.: Aminobenzisoxazoles with biaryl P4 moieties as potent, selective, and orally bioavailable factor Xa inhibitors. Bioorg Med Chem Lett, Volume 16 (7), 2006";ChEMBL
MM475356;MM475356;CN(C)Cc1nccn1-c1ccc(NC(=O)c2cc(C(F)(F)F)nn2-c2ccc3onc(N)c3c2)c(F)c1;;528.47;4.25;204102;;;CHEMBL206335;CACO;ECACO;25;0;"<a href=https://www.ebi.ac.uk/chembl/assay_report_card/CHEMBL868640/  target=_blank>CHEMBL868640</a>";;;;;;;;;-5.25;;;;;;;;;;;;"Pinto DJ, Orwat MJ, Quan ML, Han Q, Galemmo RA, Amparo E, Wells B, Ellis C, He MY, Alexander RS, Rossi KA, Smallwood A, Wong PC, Luettgen JM, Rendina AR, Knabb RM, Mersinger L, Kettner C, Bai S, He K, Wexler RR, Lam PY.: 1-[3-Aminobenzisoxazol-5'-yl]-3-trifluoromethyl-6-[2'-(3-(R)-hydroxy-N-pyrrolidinyl)methyl-[1,1']-biphen-4-yl]-1,4,5,6-tetrahydropyrazolo-[3,4-c]-pyridin-7-one (BMS-740808) a highly potent, selective, efficacious, and orally bioavailable inhibitor of blood coagulation factor Xa. Bioorg Med Chem Lett, Volume 16 (15), 2006";ChEMBL
MM475356;MM475356;CN(C)Cc1nccn1-c1ccc(NC(=O)c2cc(C(F)(F)F)nn2-c2ccc3onc(N)c3c2)c(F)c1;;528.47;4.25;204102;;;CHEMBL206335;CACO;ECACO;25;0;"<a href=https://www.ebi.ac.uk/chembl/assay_report_card/CHEMBL941671/  target=_blank>CHEMBL941671</a>";;;;;;;;;-5.25;;;;;;;;;;;;"Varnes JG, Wacker DA, Jacobson IC, Quan ML, Ellis CD, Rossi KA, He MY, Luettgen JM, Knabb RM, Bai S, He K, Lam PY, Wexler RR.: Design, structure-activity relationship, and pharmacokinetic profile of pyrazole-based indoline factor Xa inhibitors. Bioorg Med Chem Lett, Volume 17 (23), 2007";ChEMBL
MM475356;MM475356;CN(C)Cc1nccn1-c1ccc(NC(=O)c2cc(C(F)(F)F)nn2-c2ccc3onc(N)c3c2)c(F)c1;;528.47;4.25;204102;;;CHEMBL206335;CACO;ECACO;25;0;"<a href=https://www.ebi.ac.uk/chembl/assay_report_card/CHEMBL927724/  target=_blank>CHEMBL927724</a>";;;;;;;;;-5.25;;;;;;;;;;;;"Varnes JG, Wacker DA, Pinto DJ, Orwat MJ, Theroff JP, Wells B, Galemo RA, Luettgen JM, Knabb RM, Bai S, He K, Lam PY, Wexler RR.: Structure-activity relationship and pharmacokinetic profile of 5-ketopyrazole factor Xa inhibitors. Bioorg Med Chem Lett, Volume 18 (2), 2008";ChEMBL
MM475357;MM475357;COc1ccc2c(c1)CCC(c1cccnc1)=C2;WUTGTMFGCHNUET-UHFFFAOYSA-N;237.3;3.58;6540049;;;CHEMBL206351;CACO;ECACO;25;0;"<a href=https://www.ebi.ac.uk/chembl/assay_report_card/CHEMBL859786/  target=_blank>CHEMBL859786</a>";;;;;;;;;-4.87;;;;;;;;;;;;"Voets M, Antes I, Scherer C, Müller-Vieira U, Biemel K, Marchais-Oberwinkler S, Hartmann RW.: Synthesis and evaluation of heteroaryl-substituted dihydronaphthalenes and indenes: potent and selective inhibitors of aldosterone synthase (CYP11B2) for the treatment of congestive heart failure and myocardial fibrosis. J Med Chem, Volume 49 (7), 2006";ChEMBL
MM475358;MM475358;COC(=O)NC(C(=O)NN(Cc1ccc(-c2cccnc2)cc1)CC(O)(Cc1ccccc1)C(=O)NC1c2ccccc2CC1O)C(C)(C)C;;679.82;4.1;11672001;;;CHEMBL206467;CACO;ECACO;25;0;"<a href=https://www.ebi.ac.uk/chembl/assay_report_card/CHEMBL867712/  target=_blank>CHEMBL867712</a>";;;;;;;;;-4.48;;;;;;;;;;;;"Ekegren JK, Ginman N, Johansson A, Wallberg H, Larhed M, Samuelsson B, Unge T, Hallberg A.: Microwave-accelerated synthesis of P1'-extended HIV-1 protease inhibitors encompassing a tertiary alcohol in the transition-state mimicking scaffold. J Med Chem, Volume 49 (5), 2006";ChEMBL
MM475358;MM475358;COC(=O)NC(C(=O)NN(Cc1ccc(-c2cccnc2)cc1)CC(O)(Cc1ccccc1)C(=O)NC1c2ccccc2CC1O)C(C)(C)C;;679.82;4.1;11672001;;;CHEMBL206467;CACO;ECACO;25;0;"<a href=https://www.ebi.ac.uk/chembl/assay_report_card/CHEMBL1048544/  target=_blank>CHEMBL1048544</a>";;;;;;;;;-4.48;;;;;;;;;;;;"Mahalingam AK, Axelsson L, Ekegren JK, Wannberg J, Kihlström J, Unge T, Wallberg H, Samuelsson B, Larhed M, Hallberg A.: HIV-1 protease inhibitors with a transition-state mimic comprising a tertiary alcohol: improved antiviral activity in cells. J Med Chem, Volume 53 (2), 2010";ChEMBL
MM475359;MM475359;CC1Cc2ccccc2C=C1c1cccnc1;ARDWAGDGUKXSPH-UHFFFAOYSA-N;221.3;3.81;6540052;;;CHEMBL206550;CACO;ECACO;25;0;"<a href=https://www.ebi.ac.uk/chembl/assay_report_card/CHEMBL859786/  target=_blank>CHEMBL859786</a>";;;;;;;;;-4.83;;;;;;;;;;;;"Voets M, Antes I, Scherer C, Müller-Vieira U, Biemel K, Marchais-Oberwinkler S, Hartmann RW.: Synthesis and evaluation of heteroaryl-substituted dihydronaphthalenes and indenes: potent and selective inhibitors of aldosterone synthase (CYP11B2) for the treatment of congestive heart failure and myocardial fibrosis. J Med Chem, Volume 49 (7), 2006";ChEMBL
MM475360;MM475360;COC(=O)CCCCN(C(=O)N1CCOCC1)c1ccc(C(O)(C(F)(F)F)C(F)(F)F)cc1;DKTUEVOKTCNLNR-UHFFFAOYSA-N;486.41;3.6;10206413;;;CHEMBL206562;CACO;ECACO;25;0;"<a href=https://www.ebi.ac.uk/chembl/assay_report_card/CHEMBL859663/  target=_blank>CHEMBL859663</a>";;;;;;;;;-4.48;;;;;;;;;;;;"Cheng JF, Chen M, Wallace D, Tith S, Haramura M, Liu B, Mak CC, Arrhenius T, Reily S, Brown S, Thorn V, Harmon C, Barr R, Dyck JR, Lopaschuk GD, Nadzan AM.: Synthesis and structure-activity relationship of small-molecule malonyl coenzyme A decarboxylase inhibitors. J Med Chem, Volume 49 (5), 2006";ChEMBL
MM475361;MM475361;O=C(O)CCCCN(C(=O)N1CCOCC1)c1ccc(C(O)(C(F)(F)F)C(F)(F)F)cc1;NJHMKFSATBCLQS-UHFFFAOYSA-N;472.38;3.51;10299006;;;CHEMBL206756;CACO;ECACO;25;0;"<a href=https://www.ebi.ac.uk/chembl/assay_report_card/CHEMBL859663/  target=_blank>CHEMBL859663</a>";;;;;;;;;-5.77;;;;;;;;;;;;"Cheng JF, Chen M, Wallace D, Tith S, Haramura M, Liu B, Mak CC, Arrhenius T, Reily S, Brown S, Thorn V, Harmon C, Barr R, Dyck JR, Lopaschuk GD, Nadzan AM.: Synthesis and structure-activity relationship of small-molecule malonyl coenzyme A decarboxylase inhibitors. J Med Chem, Volume 49 (5), 2006";ChEMBL
MM475362;MM475362;CC1(C)SCCN(S(=O)(=O)c2ccc(OCC#CCO)cc2)C1C(=O)NO;MAVDNGWEBZTACC-HNNXBMFYSA-N;414.51;0.45;11452716;;;CHEMBL206815;CACO;ECACO;25;0;"<a href=https://www.ebi.ac.uk/chembl/assay_report_card/CHEMBL867741/  target=_blank>CHEMBL867741</a>";;;;;;;;;-5.66;;;;;;;;;;;;"Levin JI, Chen JM, Laakso LM, Du M, Schmid J, Xu W, Cummons T, Xu J, Jin G, Barone D, Skotnicki JS.: Acetylenic TACE inhibitors. Part 3: Thiomorpholine sulfonamide hydroxamates. Bioorg Med Chem Lett, Volume 16 (6), 2006";ChEMBL
MM475364;MM475364;Cc1cc(COc2ccc(C(=O)NC3(CC(=O)NO)CCN(C(=O)C(C)(C)C)CC3)cc2)c2ccccc2n1;OVSGONSKJHXDJO-UHFFFAOYSA-N;532.64;4.15;;;;;CACO;ECACO;25;0;"<a href=https://www.ebi.ac.uk/chembl/assay_report_card/CHEMBL853098/  target=_blank>CHEMBL853098</a>";;;;;;;;;-6.06;;;;;;;;;;;;"Gilmore JL, King BW, Harris C, Maduskuie T, Mercer SE, Liu RQ, Covington MB, Qian M, Ribadeneria MD, Vaddi K, Trzaskos JM, Newton RC, Decicco CP, Duan JJ.: Synthesis and structure-activity relationship of a novel, achiral series of TNF-alpha converting enzyme inhibitors. Bioorg Med Chem Lett, Volume 16 (10), 2006";ChEMBL
MM475366;MM475366;Cc1cc(COc2ccc(C(=O)NC3(CC(=O)NO)CCN(CCF)CC3)cc2)c2ccccc2n1;MCNQDQIVWJTIBW-UHFFFAOYSA-N;494.57;3.55;;;;;CACO;ECACO;25;0;"<a href=https://www.ebi.ac.uk/chembl/assay_report_card/CHEMBL853098/  target=_blank>CHEMBL853098</a>";;;;;;;;;-6.26;;;;;;;;;;;;"Gilmore JL, King BW, Harris C, Maduskuie T, Mercer SE, Liu RQ, Covington MB, Qian M, Ribadeneria MD, Vaddi K, Trzaskos JM, Newton RC, Decicco CP, Duan JJ.: Synthesis and structure-activity relationship of a novel, achiral series of TNF-alpha converting enzyme inhibitors. Bioorg Med Chem Lett, Volume 16 (10), 2006";ChEMBL
MM475369;MM475369;Cc1cc(COc2ccc(C(=O)NC3(CC(=O)NO)CCN(c4ccccc4)CC3)cc2)c2ccccc2n1;FAKDVMIECOUVIL-UHFFFAOYSA-N;524.62;4.79;;;;;CACO;ECACO;25;0;"<a href=https://www.ebi.ac.uk/chembl/assay_report_card/CHEMBL853098/  target=_blank>CHEMBL853098</a>";;;;;;;;;-6.3;;;;;;;;;;;;"Gilmore JL, King BW, Harris C, Maduskuie T, Mercer SE, Liu RQ, Covington MB, Qian M, Ribadeneria MD, Vaddi K, Trzaskos JM, Newton RC, Decicco CP, Duan JJ.: Synthesis and structure-activity relationship of a novel, achiral series of TNF-alpha converting enzyme inhibitors. Bioorg Med Chem Lett, Volume 16 (10), 2006";ChEMBL
MM475370;MM475370;Cc1cc(COc2ccc(C(=O)NC3(CC(=O)NO)CCN(CC(C)(C)C)CC3)cc2)c2ccccc2n1;MIUWEXKKKWGHOC-UHFFFAOYSA-N;518.66;4.63;;;;;CACO;ECACO;25;0;"<a href=https://www.ebi.ac.uk/chembl/assay_report_card/CHEMBL853098/  target=_blank>CHEMBL853098</a>";;;;;;;;;-5.62;;;;;;;;;;;;"Gilmore JL, King BW, Harris C, Maduskuie T, Mercer SE, Liu RQ, Covington MB, Qian M, Ribadeneria MD, Vaddi K, Trzaskos JM, Newton RC, Decicco CP, Duan JJ.: Synthesis and structure-activity relationship of a novel, achiral series of TNF-alpha converting enzyme inhibitors. Bioorg Med Chem Lett, Volume 16 (10), 2006";ChEMBL
MM475371;MM475371;Cc1cc(COc2ccc(C(=O)NC3(CC(=O)NO)CCOCC3)cc2)c2ccccc2n1;NUVSGXIVCJBRBF-UHFFFAOYSA-N;449.51;3.3;;;;;CACO;ECACO;25;0;"<a href=https://www.ebi.ac.uk/chembl/assay_report_card/CHEMBL853098/  target=_blank>CHEMBL853098</a>";;;;;;;;;-6.1;;;;;;;;;;;;"Gilmore JL, King BW, Harris C, Maduskuie T, Mercer SE, Liu RQ, Covington MB, Qian M, Ribadeneria MD, Vaddi K, Trzaskos JM, Newton RC, Decicco CP, Duan JJ.: Synthesis and structure-activity relationship of a novel, achiral series of TNF-alpha converting enzyme inhibitors. Bioorg Med Chem Lett, Volume 16 (10), 2006";ChEMBL
MM475373;MM475373;Cc1cc(COc2ccc(C(=O)NC3(CC(=O)NO)CCN(C(=O)CC(C)C)CC3)cc2)c2ccccc2n1;NHMWZOLCOOIQJX-UHFFFAOYSA-N;532.64;4.15;;;;;CACO;ECACO;25;0;"<a href=https://www.ebi.ac.uk/chembl/assay_report_card/CHEMBL853098/  target=_blank>CHEMBL853098</a>";;;;;;;;;-6.25;;;;;;;;;;;;"Gilmore JL, King BW, Harris C, Maduskuie T, Mercer SE, Liu RQ, Covington MB, Qian M, Ribadeneria MD, Vaddi K, Trzaskos JM, Newton RC, Decicco CP, Duan JJ.: Synthesis and structure-activity relationship of a novel, achiral series of TNF-alpha converting enzyme inhibitors. Bioorg Med Chem Lett, Volume 16 (10), 2006";ChEMBL
MM475374;MM475374;C#CC(C)(C)N1CCC(CC(=O)NO)(NC(=O)c2ccc(OCc3cc(C)nc4ccccc34)cc2)CC1;ALAICNBWAOLDPL-UHFFFAOYSA-N;514.63;3.99;;;;;CACO;ECACO;25;0;"<a href=https://www.ebi.ac.uk/chembl/assay_report_card/CHEMBL853098/  target=_blank>CHEMBL853098</a>";;;;;;;;;-5.49;;;;;;;;;;;;"Gilmore JL, King BW, Harris C, Maduskuie T, Mercer SE, Liu RQ, Covington MB, Qian M, Ribadeneria MD, Vaddi K, Trzaskos JM, Newton RC, Decicco CP, Duan JJ.: Synthesis and structure-activity relationship of a novel, achiral series of TNF-alpha converting enzyme inhibitors. Bioorg Med Chem Lett, Volume 16 (10), 2006";ChEMBL
MM475375;MM475375;Cc1cc(COc2ccc(C(=O)NC3(CC(=O)NO)CCN(C(=O)C(C)C)CC3)cc2)c2ccccc2n1;CBKSKDVWCOUHEC-UHFFFAOYSA-N;518.61;3.76;;;;;CACO;ECACO;25;0;"<a href=https://www.ebi.ac.uk/chembl/assay_report_card/CHEMBL853098/  target=_blank>CHEMBL853098</a>";;;;;;;;;-6.7;;;;;;;;;;;;"Gilmore JL, King BW, Harris C, Maduskuie T, Mercer SE, Liu RQ, Covington MB, Qian M, Ribadeneria MD, Vaddi K, Trzaskos JM, Newton RC, Decicco CP, Duan JJ.: Synthesis and structure-activity relationship of a novel, achiral series of TNF-alpha converting enzyme inhibitors. Bioorg Med Chem Lett, Volume 16 (10), 2006";ChEMBL
MM475377;MM475377;Cc1cc(COc2ccc(C(=O)NC3(CC(=O)NO)CCN(C(=O)CC(C)(C)C)CC3)cc2)c2ccccc2n1;FQARNXJHFBTHOY-UHFFFAOYSA-N;546.67;4.54;;;;;CACO;ECACO;25;0;"<a href=https://www.ebi.ac.uk/chembl/assay_report_card/CHEMBL853098/  target=_blank>CHEMBL853098</a>";;;;;;;;;-6.1;;;;;;;;;;;;"Gilmore JL, King BW, Harris C, Maduskuie T, Mercer SE, Liu RQ, Covington MB, Qian M, Ribadeneria MD, Vaddi K, Trzaskos JM, Newton RC, Decicco CP, Duan JJ.: Synthesis and structure-activity relationship of a novel, achiral series of TNF-alpha converting enzyme inhibitors. Bioorg Med Chem Lett, Volume 16 (10), 2006";ChEMBL
MM475378;MM475378;CCCN1CCC(CC(=O)NO)(NC(=O)c2ccc(OCc3cc(C)nc4ccccc34)cc2)CC1;ADROOOBIKREWPX-UHFFFAOYSA-N;490.6;3.99;;;;;CACO;ECACO;25;0;"<a href=https://www.ebi.ac.uk/chembl/assay_report_card/CHEMBL853098/  target=_blank>CHEMBL853098</a>";;;;;;;;;-7;;;;;;;;;;;;"Gilmore JL, King BW, Harris C, Maduskuie T, Mercer SE, Liu RQ, Covington MB, Qian M, Ribadeneria MD, Vaddi K, Trzaskos JM, Newton RC, Decicco CP, Duan JJ.: Synthesis and structure-activity relationship of a novel, achiral series of TNF-alpha converting enzyme inhibitors. Bioorg Med Chem Lett, Volume 16 (10), 2006";ChEMBL
MM475379;MM475379;CCS(=O)(=O)CCN1CCC(CC(=O)NO)(NC(=O)c2ccc(OCc3cc(C)nc4ccccc34)cc2)CC1;CTANAKVMPKAIQD-UHFFFAOYSA-N;568.7;3.02;;;;;CACO;ECACO;25;0;"<a href=https://www.ebi.ac.uk/chembl/assay_report_card/CHEMBL853098/  target=_blank>CHEMBL853098</a>";;;;;;;;;-6.26;;;;;;;;;;;;"Gilmore JL, King BW, Harris C, Maduskuie T, Mercer SE, Liu RQ, Covington MB, Qian M, Ribadeneria MD, Vaddi K, Trzaskos JM, Newton RC, Decicco CP, Duan JJ.: Synthesis and structure-activity relationship of a novel, achiral series of TNF-alpha converting enzyme inhibitors. Bioorg Med Chem Lett, Volume 16 (10), 2006";ChEMBL
MM475380;MM475380;CCCOc1ncc(C(C)=O)cc1-c1nc2c(CC)n(C3CN(C(C)C)C3)nc2c(=O)[nH]1;SUNRSIDIGUGCSU-UHFFFAOYSA-N;438.53;3.41;135532825;;;CHEMBL208583;CACO;ECACO;25;0;"<a href=https://www.ebi.ac.uk/chembl/assay_report_card/CHEMBL860099/  target=_blank>CHEMBL860099</a>";;;;;;;;;-4.55;;;;;;;;;;;;"Allerton CM, Barber CG, Beaumont KC, Brown DG, Cole SM, Ellis D, Lane CA, Maw GN, Mount NM, Rawson DJ, Robinson CM, Street SD, Summerhill NW.: A novel series of potent and selective PDE5 inhibitors with potential for high and dose-independent oral bioavailability. J Med Chem, Volume 49 (12), 2006";ChEMBL
Chembl209446;MM469017;CN(CCOc1ccccc1Sc1ccccc1)CC(=O)O;WWTBASXWJHFVNF-UHFFFAOYSA-N;317.41;3.23;44414119;;;CHEMBL209446;CACO;ECACO;25;0;"<a href=https://www.ebi.ac.uk/chembl/assay_report_card/CHEMBL862964/  target=_blank>CHEMBL862964</a>";;;;;;;;;-4.48;;;;;;;;;;;;"Smith G, Mikkelsen G, Eskildsen J, Bundgaard C.: The synthesis and SAR of 2-arylsulfanylphenyl-1-oxyalkylamino acids as GlyT-1 inhibitors. Bioorg Med Chem Lett, Volume 16 (15), 2006";ChEMBL
MM475382;MM475382;CCCc1nn(C)c2c(=O)[nH]c(-c3cc(C(=O)CN4CCOCC4)ccc3OCC)nc12;AANJEOKXWMXQIE-UHFFFAOYSA-N;439.52;2.6;135487662;;;CHEMBL209460;CACO;ECACO;25;0;"<a href=https://www.ebi.ac.uk/chembl/assay_report_card/CHEMBL860099/  target=_blank>CHEMBL860099</a>";;;;;;;;;-4.48;;;;;;;;;;;;"Allerton CM, Barber CG, Beaumont KC, Brown DG, Cole SM, Ellis D, Lane CA, Maw GN, Mount NM, Rawson DJ, Robinson CM, Street SD, Summerhill NW.: A novel series of potent and selective PDE5 inhibitors with potential for high and dose-independent oral bioavailability. J Med Chem, Volume 49 (12), 2006";ChEMBL
MM475384;MM475384;CCCCOc1ncc(C(C)=O)cc1-c1nc2c(CCC)n(Cc3ccccn3)nc2c(=O)[nH]1;IQOUMUUIJXJPMR-UHFFFAOYSA-N;460.54;4.37;136043740;;;CHEMBL210603;CACO;ECACO;25;0;"<a href=https://www.ebi.ac.uk/chembl/assay_report_card/CHEMBL860099/  target=_blank>CHEMBL860099</a>";;;;;;;;;-4.38;;;;;;;;;;;;"Allerton CM, Barber CG, Beaumont KC, Brown DG, Cole SM, Ellis D, Lane CA, Maw GN, Mount NM, Rawson DJ, Robinson CM, Street SD, Summerhill NW.: A novel series of potent and selective PDE5 inhibitors with potential for high and dose-independent oral bioavailability. J Med Chem, Volume 49 (12), 2006";ChEMBL
MM475386;MM475386;CCCCOc1ncc(C(C)=O)cc1-c1nc2c(CC)n(C3CN(CC)C3)nc2c(=O)[nH]1;INLBUQIADGPECI-UHFFFAOYSA-N;438.53;3.41;135515565;;;CHEMBL210930;CACO;ECACO;25;0;"<a href=https://www.ebi.ac.uk/chembl/assay_report_card/CHEMBL860099/  target=_blank>CHEMBL860099</a>";;;;;;;;;-4.52;;;;;;;;;;;;"Allerton CM, Barber CG, Beaumont KC, Brown DG, Cole SM, Ellis D, Lane CA, Maw GN, Mount NM, Rawson DJ, Robinson CM, Street SD, Summerhill NW.: A novel series of potent and selective PDE5 inhibitors with potential for high and dose-independent oral bioavailability. J Med Chem, Volume 49 (12), 2006";ChEMBL
MM475387;MM475387;CN(C)Cc1ccccc1-c1ccc(N2CCc3c(C(F)(F)F)nn(-c4ccc5onc(N)c5c4)c3C2=O)cc1;GJINLTTVIZRYJU-UHFFFAOYSA-N;546.55;5.55;22086976;;;CHEMBL211410;CACO;ECACO;25;0;"<a href=https://www.ebi.ac.uk/chembl/assay_report_card/CHEMBL868640/  target=_blank>CHEMBL868640</a>";;;;;;;;;-5.33;;;;;;;;;;;;"Pinto DJ, Orwat MJ, Quan ML, Han Q, Galemmo RA, Amparo E, Wells B, Ellis C, He MY, Alexander RS, Rossi KA, Smallwood A, Wong PC, Luettgen JM, Rendina AR, Knabb RM, Mersinger L, Kettner C, Bai S, He K, Wexler RR, Lam PY.: 1-[3-Aminobenzisoxazol-5'-yl]-3-trifluoromethyl-6-[2'-(3-(R)-hydroxy-N-pyrrolidinyl)methyl-[1,1']-biphen-4-yl]-1,4,5,6-tetrahydropyrazolo-[3,4-c]-pyridin-7-one (BMS-740808) a highly potent, selective, efficacious, and orally bioavailable inhibitor of blood coagulation factor Xa. Bioorg Med Chem Lett, Volume 16 (15), 2006";ChEMBL
MM475388;MM475388;CN(C)C(=O)c1cccc(Nc2c(Nc3ccccc3)c(=O)c2=O)c1O;IDRHXERJIOHEIJ-SIBCGJTDSA-N;351.36;1.85;9928389;;;CHEMBL211468;CACO;ECACO;25;0;"<a href=https://www.ebi.ac.uk/chembl/assay_report_card/CHEMBL866148/  target=_blank>CHEMBL866148</a>";;;;;;;;;-5.62;;;;;;;;;;;;"Merritt JR, Rokosz LL, Nelson KH, Kaiser B, Wang W, Stauffer TM, Ozgur LE, Schilling A, Li G, Baldwin JJ, Taveras AG, Dwyer MP, Chao J.: Synthesis and structure-activity relationships of 3,4-diaminocyclobut-3-ene-1,2-dione CXCR2 antagonists. Bioorg Med Chem Lett, Volume 16 (15), 2006";ChEMBL
MM475389;MM475389;CC(=O)NC(Cc1ccccc1)C(=O)N1CC(OCc2ccc3ccccc3c2)CC1CCCN=C(N)N;;515.66;3.13;11846673;;;CHEMBL212766;CACO;ECACO;25;0;"<a href=https://www.ebi.ac.uk/chembl/assay_report_card/CHEMBL854467/  target=_blank>CHEMBL854467</a>";;;;;;;;;-5.12;;;;;;;;;;;;"Tian X, Field TB, Switzer AG, Mazur AW, Ebetino FH, Wos JA, Berberich SM, Jayasinghe LR, Obringer CM, Dowty ME, Pinney BB, Farmer JA, Crossdoersen D, Sheldon RJ.: Design, synthesis, and evaluation of proline and pyrrolidine based melanocortin receptor agonists. A conformationally restricted dipeptide mimic approach. J Med Chem, Volume 49 (15), 2006";ChEMBL
MM475389;MM475389;CC(=O)NC(Cc1ccccc1)C(=O)N1CC(OCc2ccc3ccccc3c2)CC1CCCN=C(N)N;;515.66;3.13;11846673;;;CHEMBL212766;CACO;ECACO;25;0;"<a href=https://www.ebi.ac.uk/chembl/assay_report_card/CHEMBL854468/  target=_blank>CHEMBL854468</a>";;;;;;;;;-5.21;;;;;;;;;;;;"Tian X, Field TB, Switzer AG, Mazur AW, Ebetino FH, Wos JA, Berberich SM, Jayasinghe LR, Obringer CM, Dowty ME, Pinney BB, Farmer JA, Crossdoersen D, Sheldon RJ.: Design, synthesis, and evaluation of proline and pyrrolidine based melanocortin receptor agonists. A conformationally restricted dipeptide mimic approach. J Med Chem, Volume 49 (15), 2006";ChEMBL
MM475391;MM475391;Cc1ccccc1CN(CCN(Cc1cncn1C)c1ccc(-c2ccccc2)cc1)S(=O)(=O)c1cn(C)cn1;CAZKPPOQQJGGBL-UHFFFAOYSA-N;554.72;5.03;23646363;;;CHEMBL213330;CACO;ECACO;25;0;"<a href=https://www.ebi.ac.uk/chembl/assay_report_card/CHEMBL910296/  target=_blank>CHEMBL910296</a>";;;;;;;;;-6.4;;;;;;;;;;;;"Glenn MP, Chang SY, Hornéy C, Rivas K, Yokoyama K, Pusateri EE, Fletcher S, Cummings CG, Buckner FS, Pendyala PR, Chakrabarti D, Sebti SM, Gelb M, Van Voorhis WC, Hamilton AD.: Structurally simple, potent, Plasmodium selective farnesyltransferase inhibitors that arrest the growth of malaria parasites. J Med Chem, Volume 49 (19), 2006";ChEMBL
MM475392;MM475392;CNC(=O)C(Cc1ccc2ccccc2c1)N1CCN(C(=O)C(N)Cc2ccc(F)cc2)C(CCN=C(N)N)C1=O;;561.66;1.12;44416135;;;CHEMBL213566;CACO;ECACO;25;0;"<a href=https://www.ebi.ac.uk/chembl/assay_report_card/CHEMBL1027425/  target=_blank>CHEMBL1027425</a>";;;;;;;;;-6.48;;;;;;;;;;;;"Tian X, Switzer AG, Derose SA, Mishra RK, Solinsky MG, Mumin RN, Ebetino FH, Jayasinghe LR, Webster ME, Colson AO, Crossdoersen D, Pinney BB, Farmer JA, Dowty ME, Obringer CM, Cruze CA, Burklow ML, Suchanek PM, Dong L, Dirr MK, Sheldon RJ, Wos JA.: Discovery of orally bioavailable 1,3,4-trisubstituted 2-oxopiperazine-based melanocortin-4 receptor agonists as potential antiobesity agents. J Med Chem, Volume 51 (19), 2008";ChEMBL
MM475392;MM475392;CNC(=O)C(Cc1ccc2ccccc2c1)N1CCN(C(=O)C(N)Cc2ccc(F)cc2)C(CCN=C(N)N)C1=O;;561.66;1.12;44416135;;;CHEMBL213566;CACO;ECACO;25;0;"<a href=https://www.ebi.ac.uk/chembl/assay_report_card/CHEMBL1027426/  target=_blank>CHEMBL1027426</a>";;;;;;;;;-6.48;;;;;;;;;;;;"Tian X, Switzer AG, Derose SA, Mishra RK, Solinsky MG, Mumin RN, Ebetino FH, Jayasinghe LR, Webster ME, Colson AO, Crossdoersen D, Pinney BB, Farmer JA, Dowty ME, Obringer CM, Cruze CA, Burklow ML, Suchanek PM, Dong L, Dirr MK, Sheldon RJ, Wos JA.: Discovery of orally bioavailable 1,3,4-trisubstituted 2-oxopiperazine-based melanocortin-4 receptor agonists as potential antiobesity agents. J Med Chem, Volume 51 (19), 2008";ChEMBL
MM475393;MM475393;Nc1noc2ccc(-n3nc(C(F)(F)F)c4c3C(=O)N(c3ccc(-c5ccccc5CN5CCC(O)CC5)cc3)CC4)cc12;KZFKAYHQURWCNL-UHFFFAOYSA-N;602.62;5.44;23646159;;;CHEMBL213888;CACO;ECACO;25;0;"<a href=https://www.ebi.ac.uk/chembl/assay_report_card/CHEMBL868640/  target=_blank>CHEMBL868640</a>";;;;;;;;;-6.4;;;;;;;;;;;;"Pinto DJ, Orwat MJ, Quan ML, Han Q, Galemmo RA, Amparo E, Wells B, Ellis C, He MY, Alexander RS, Rossi KA, Smallwood A, Wong PC, Luettgen JM, Rendina AR, Knabb RM, Mersinger L, Kettner C, Bai S, He K, Wexler RR, Lam PY.: 1-[3-Aminobenzisoxazol-5'-yl]-3-trifluoromethyl-6-[2'-(3-(R)-hydroxy-N-pyrrolidinyl)methyl-[1,1']-biphen-4-yl]-1,4,5,6-tetrahydropyrazolo-[3,4-c]-pyridin-7-one (BMS-740808) a highly potent, selective, efficacious, and orally bioavailable inhibitor of blood coagulation factor Xa. Bioorg Med Chem Lett, Volume 16 (15), 2006";ChEMBL
MM475394;MM475394;O=C(O)[C@@H]1CCCN1CCOc1ccc(-c2ccccc2)cc1Sc1cccc(F)c1;YHOBMZUBDXFLGN-QFIPXVFZSA-N;437.54;5.57;;;;;CACO;ECACO;25;0;"<a href=https://www.ebi.ac.uk/chembl/assay_report_card/CHEMBL862964/  target=_blank>CHEMBL862964</a>";;;;;;;;;-4.6;;;;;;;;;;;;"Smith G, Mikkelsen G, Eskildsen J, Bundgaard C.: The synthesis and SAR of 2-arylsulfanylphenyl-1-oxyalkylamino acids as GlyT-1 inhibitors. Bioorg Med Chem Lett, Volume 16 (15), 2006";ChEMBL
MM475395;MM475395;CCC(CC)Nc1c(Nc2cccc(C(=O)N(C)C)c2O)c(=O)c1=O;IIYATGKFFIGIDZ-AXPXABNXSA-N;345.4;1.7;9968028;;;CHEMBL214047;CACO;ECACO;25;0;"<a href=https://www.ebi.ac.uk/chembl/assay_report_card/CHEMBL866148/  target=_blank>CHEMBL866148</a>";;;;;;;;;-4.92;;;;;;;;;;;;"Merritt JR, Rokosz LL, Nelson KH, Kaiser B, Wang W, Stauffer TM, Ozgur LE, Schilling A, Li G, Baldwin JJ, Taveras AG, Dwyer MP, Chao J.: Synthesis and structure-activity relationships of 3,4-diaminocyclobut-3-ene-1,2-dione CXCR2 antagonists. Bioorg Med Chem Lett, Volume 16 (15), 2006";ChEMBL
MM475397;MM475397;CN(C)C(=O)c1cccc(Nc2c(NC3CCCC3)c(=O)c2=O)c1O;ODDYNFJMZKNMIO-AXPXABNXSA-N;343.38;1.46;10268984;;;CHEMBL214162;CACO;ECACO;25;0;"<a href=https://www.ebi.ac.uk/chembl/assay_report_card/CHEMBL866148/  target=_blank>CHEMBL866148</a>";;;;;;;;;-5;;;;;;;;;;;;"Merritt JR, Rokosz LL, Nelson KH, Kaiser B, Wang W, Stauffer TM, Ozgur LE, Schilling A, Li G, Baldwin JJ, Taveras AG, Dwyer MP, Chao J.: Synthesis and structure-activity relationships of 3,4-diaminocyclobut-3-ene-1,2-dione CXCR2 antagonists. Bioorg Med Chem Lett, Volume 16 (15), 2006";ChEMBL
MM475399;MM475399;Cn1cnc(S(=O)(=O)N(CCN(Cc2cncn2C)c2ccc(C#N)cc2)Cc2ccc(-n3cccc3)cc2)c1;ZLSUFGRBWKQUQB-UHFFFAOYSA-N;554.68;3.71;16086154;;;CHEMBL214605;CACO;ECACO;25;0;"<a href=https://www.ebi.ac.uk/chembl/assay_report_card/CHEMBL910296/  target=_blank>CHEMBL910296</a>";;;;;;;;;-5.96;;;;;;;;;;;;"Glenn MP, Chang SY, Hornéy C, Rivas K, Yokoyama K, Pusateri EE, Fletcher S, Cummings CG, Buckner FS, Pendyala PR, Chakrabarti D, Sebti SM, Gelb M, Van Voorhis WC, Hamilton AD.: Structurally simple, potent, Plasmodium selective farnesyltransferase inhibitors that arrest the growth of malaria parasites. J Med Chem, Volume 49 (19), 2006";ChEMBL
MM475400;MM475400;Cc1ccccc1CN(CCN(Cc1cncn1C)c1ccc(C#N)cc1)S(=O)(=O)c1cn(C)cn1;YHWHZGNJXZQUQM-UHFFFAOYSA-N;503.63;3.23;11191318;;;CHEMBL214610;CACO;ECACO;25;0;"<a href=https://www.ebi.ac.uk/chembl/assay_report_card/CHEMBL910296/  target=_blank>CHEMBL910296</a>";;;;;;;;;-6.4;;;;;;;;;;;;"Glenn MP, Chang SY, Hornéy C, Rivas K, Yokoyama K, Pusateri EE, Fletcher S, Cummings CG, Buckner FS, Pendyala PR, Chakrabarti D, Sebti SM, Gelb M, Van Voorhis WC, Hamilton AD.: Structurally simple, potent, Plasmodium selective farnesyltransferase inhibitors that arrest the growth of malaria parasites. J Med Chem, Volume 49 (19), 2006";ChEMBL
MM475401;MM475401;Cn1cncc1CN(CCN(Cc1ccccc1)S(=O)(=O)c1ccccn1)c1ccc(C#N)cc1;HAVQUHAYFMIFJN-UHFFFAOYSA-N;486.6;3.58;16086145;;;CHEMBL215476;CACO;ECACO;25;0;"<a href=https://www.ebi.ac.uk/chembl/assay_report_card/CHEMBL910296/  target=_blank>CHEMBL910296</a>";;;;;;;;;-5.55;;;;;;;;;;;;"Glenn MP, Chang SY, Hornéy C, Rivas K, Yokoyama K, Pusateri EE, Fletcher S, Cummings CG, Buckner FS, Pendyala PR, Chakrabarti D, Sebti SM, Gelb M, Van Voorhis WC, Hamilton AD.: Structurally simple, potent, Plasmodium selective farnesyltransferase inhibitors that arrest the growth of malaria parasites. J Med Chem, Volume 49 (19), 2006";ChEMBL
MM475402;MM475402;Cn1cnc(S(=O)(=O)N(CCN(Cc2cncn2C)c2ccc(C#N)cc2)Cc2ccccc2)c1;IDHGAQOVWWBGFK-UHFFFAOYSA-N;489.61;2.92;11294760;;;CHEMBL215769;CACO;ECACO;25;0;"<a href=https://www.ebi.ac.uk/chembl/assay_report_card/CHEMBL910296/  target=_blank>CHEMBL910296</a>";;;;;;;;;-5.96;;;;;;;;;;;;"Glenn MP, Chang SY, Hornéy C, Rivas K, Yokoyama K, Pusateri EE, Fletcher S, Cummings CG, Buckner FS, Pendyala PR, Chakrabarti D, Sebti SM, Gelb M, Van Voorhis WC, Hamilton AD.: Structurally simple, potent, Plasmodium selective farnesyltransferase inhibitors that arrest the growth of malaria parasites. J Med Chem, Volume 49 (19), 2006";ChEMBL
MM475407;MM475407;CN1C(=O)NC(=O)C12Cc1ccc(NC(=O)Cn3c(=O)n(C4CCOC4)c4ccccc43)cc1C2;PDUHSGWCDRILIB-IXXGTQFESA-N;475.51;1.42;44420240;;;CHEMBL220101;CACO;ECACO;25;0;"<a href=https://www.ebi.ac.uk/chembl/assay_report_card/CHEMBL911974/  target=_blank>CHEMBL911974</a>";;;;;;;;;-5.4;;;;;;;;;;;;"Bell IM, Bednar RA, Fay JF, Gallicchio SN, Hochman JH, McMasters DR, Miller-Stein C, Moore EL, Mosser SD, Pudvah NT, Quigley AG, Salvatore CA, Stump CA, Theberge CR, Wong BK, Zartman CB, Zhang XF, Kane SA, Graham SL, Vacca JP, Williams TM.: Identification of novel, orally bioavailable spirohydantoin CGRP receptor antagonists. Bioorg Med Chem Lett, Volume 16 (24), 2006";ChEMBL
MM475408;MM475408;CN1C(=O)NC(=O)C12Cc1ccc(NC(=O)Cn3c(=O)n(-c4cncnc4)c4ccccc43)cc1C2;NRFBJAZUUUIQSC-RUZDIDTESA-N;483.49;1.24;44420260;;;CHEMBL220146;CACO;ECACO;25;0;"<a href=https://www.ebi.ac.uk/chembl/assay_report_card/CHEMBL911974/  target=_blank>CHEMBL911974</a>";;;;;;;;;-5.4;;;;;;;;;;;;"Bell IM, Bednar RA, Fay JF, Gallicchio SN, Hochman JH, McMasters DR, Miller-Stein C, Moore EL, Mosser SD, Pudvah NT, Quigley AG, Salvatore CA, Stump CA, Theberge CR, Wong BK, Zartman CB, Zhang XF, Kane SA, Graham SL, Vacca JP, Williams TM.: Identification of novel, orally bioavailable spirohydantoin CGRP receptor antagonists. Bioorg Med Chem Lett, Volume 16 (24), 2006";ChEMBL
MM475411;MM475411;CCc1cc2c(c(C(F)(F)F)c1)C(=O)N1CCNCC21;AZBGLEQDAYJKBP-NSHDSACASA-N;284.28;2.37;11302765;;;CHEMBL221113;CACO;ECACO;25;0;"<a href=https://www.ebi.ac.uk/chembl/assay_report_card/CHEMBL920384/  target=_blank>CHEMBL920384</a>";;;;;;;;;-4.67;;;;;;;;;;;;"Wacker DA, Varnes JG, Malmstrom SE, Cao X, Hung CP, Ung T, Wu G, Zhang G, Zuvich E, Thomas MA, Keim WJ, Cullen MJ, Rohrbach KW, Qu Q, Narayanan R, Rossi K, Janovitz E, Lehman-McKeeman L, Malley MF, Devenny J, Pelleymounter MA, Miller KJ, Robl JA.: Discovery of (R)-9-ethyl-1,3,4,10b-tetrahydro-7-trifluoromethylpyrazino[2,1-a]isoindol- 6(2H)-one, a selective, orally active agonist of the 5-HT(2C) receptor. J Med Chem, Volume 50 (6), 2007";ChEMBL
MM475413;MM475413;CN1C(=O)NC(=O)C12Cc1ccc(NC(=O)Cn3c(=O)n(-c4ccccn4)c4ccccc43)cc1C2;BZGALMKCNIYKHV-AREMUKBSSA-N;482.5;1.84;44420235;;;CHEMBL223156;CACO;ECACO;25;0;"<a href=https://www.ebi.ac.uk/chembl/assay_report_card/CHEMBL911974/  target=_blank>CHEMBL911974</a>";;;;;;;;;-4.96;;;;;;;;;;;;"Bell IM, Bednar RA, Fay JF, Gallicchio SN, Hochman JH, McMasters DR, Miller-Stein C, Moore EL, Mosser SD, Pudvah NT, Quigley AG, Salvatore CA, Stump CA, Theberge CR, Wong BK, Zartman CB, Zhang XF, Kane SA, Graham SL, Vacca JP, Williams TM.: Identification of novel, orally bioavailable spirohydantoin CGRP receptor antagonists. Bioorg Med Chem Lett, Volume 16 (24), 2006";ChEMBL
MM475414;MM475414;CN1C(=O)NC(=O)C12Cc1ccc(NC(=O)Cn3c(=O)n(-c4cnccn4)c4ccccc43)cc1C2;MLLMYNNPSHKYQO-RUZDIDTESA-N;483.49;1.24;44420256;;;CHEMBL223756;CACO;ECACO;25;0;"<a href=https://www.ebi.ac.uk/chembl/assay_report_card/CHEMBL911974/  target=_blank>CHEMBL911974</a>";;;;;;;;;-5.1;;;;;;;;;;;;"Bell IM, Bednar RA, Fay JF, Gallicchio SN, Hochman JH, McMasters DR, Miller-Stein C, Moore EL, Mosser SD, Pudvah NT, Quigley AG, Salvatore CA, Stump CA, Theberge CR, Wong BK, Zartman CB, Zhang XF, Kane SA, Graham SL, Vacca JP, Williams TM.: Identification of novel, orally bioavailable spirohydantoin CGRP receptor antagonists. Bioorg Med Chem Lett, Volume 16 (24), 2006";ChEMBL
MM475424;MM475424;CCN1CCN(c2ccc(C(C)(C)NC(=O)c3cc4[nH]c5ccccc5c(=O)c4cc3F)cn2)CC1;XEVJUIZOZCFECP-UHFFFAOYSA-N;487.58;4.02;9913339;;;CHEMBL229008;CACO;ECACO;25;0;"<a href=https://www.ebi.ac.uk/chembl/assay_report_card/CHEMBL890383/  target=_blank>CHEMBL890383</a>";;;;;;;;;-4.49;;;;;;;;;;;;"Watterson SH, Chen P, Zhao Y, Gu HH, Dhar TG, Xiao Z, Ballentine SK, Shen Z, Fleener CA, Rouleau KA, Obermeier M, Yang Z, McIntyre KW, Shuster DJ, Witmer M, Dambach D, Chao S, Mathur A, Chen BC, Barrish JC, Robl JA, Townsend R, Iwanowicz EJ.: Acridone-based inhibitors of inosine 5'-monophosphate dehydrogenase: discovery and SAR leading to the identification of N-(2-(6-(4-ethylpiperazin-1-yl)pyridin-3-yl)propan-2-yl)-2- fluoro-9-oxo-9,10-dihydroacridine-3-carboxamide (BMS-566419). J Med Chem, Volume 50 (15), 2007";ChEMBL
MM475425;MM475425;CCCCCCCCCCC(N)C(=O)NCC(=O)NC(CC(C)C)C(=O)NC(CCCN=C(N)N)C(=O)NC(C(=O)NC(CC(C)C)C(=O)NC(CC(C)C)C(=O)NC(CC(C)C)C(=O)NC(CCCCN)C(=O)NC(C(=O)O)C(C)C)C(C)CC;JBEWYYDHBUGLKE-BVAZOMJUSA-N;1221.69;3.2;44424271;;;CHEMBL229349;CACO;ECACO;25;0;"<a href=https://www.ebi.ac.uk/chembl/assay_report_card/CHEMBL905629/  target=_blank>CHEMBL905629</a>";;;;;;;;;-6.96;;;;;;;;;;;;"Chan E, Amon M, Marano RJ, Wimmer N, Kearns PS, Manolios N, Rakoczy PE, Toth I.: Novel cationic lipophilic peptides for oligodeoxynucleotide delivery. Bioorg Med Chem, Volume 15 (12), 2007";ChEMBL
MM475427;MM475427;CCOC(=O)CNC(CCc1ccc(O)cc1)C(=O)N1CCCC1C(=O)NCc1cc(Cl)ccc1CN;FVYGXQLKUXZGOL-RPWUZVMVSA-N;531.05;2.27;44426253;;;CHEMBL230360;CACO;ECACO;25;0;"<a href=https://www.ebi.ac.uk/chembl/assay_report_card/CHEMBL889058/  target=_blank>CHEMBL889058</a>";;;;;;;;;-5.05;;;;;;;;;;;;"Dönnecke D, Schweinitz A, Stürzebecher A, Steinmetzer P, Schuster M, Stürzebecher U, Nicklisch S, Stürzebecher J, Steinmetzer T.: From selective substrate analogue factor Xa inhibitors to dual inhibitors of thrombin and factor Xa. Part 3. Bioorg Med Chem Lett, Volume 17 (12), 2007";ChEMBL
MM475435;MM475435;COc1ccc(-n2nc(C(N)=O)c3c2C(=O)N(c2ccc(N4CCCCC4=O)cc2)CC3)cc1;;459.51;2.7;54590406;;;CHEMBL3526474;CACO;ECACO;25;0;"<a href=https://www.ebi.ac.uk/chembl/assay_report_card/CHEMBL900671/  target=_blank>CHEMBL900671</a>";;;;;;;;;-6.05;;;;;;;;;;;;"Pinto DJ, Orwat MJ, Koch S, Rossi KA, Alexander RS, Smallwood A, Wong PC, Rendina AR, Luettgen JM, Knabb RM, He K, Xin B, Wexler RR, Lam PY.: Discovery of 1-(4-methoxyphenyl)-7-oxo-6-(4-(2-oxopiperidin-1-yl)phenyl)-4,5,6,7-tetrahydro-1H-pyrazolo[3,4-c]pyridine-3-carboxamide (apixaban, BMS-562247), a highly potent, selective, efficacious, and orally bioavailable inhibitor of blood coagulation factor Xa. J Med Chem, Volume 50 (22), 2007";ChEMBL
MM475437;MM475437;O=C(NC1CCN(C(=O)CCc2cccnc2)CC1)C(c1ccc(Cl)cc1)c1ccc(Cl)cc1;MOAKSXYTYAKBNI-UHFFFAOYSA-N;496.44;5.26;44430516;;;CHEMBL232418;CACO;ECACO;25;0;"<a href=https://www.ebi.ac.uk/chembl/assay_report_card/CHEMBL894525/  target=_blank>CHEMBL894525</a>";;;;;;;;;-5.2;;;;;;;;;;;;"Denonne F, Binet S, Burton M, Collart P, Defays S, Dipesa A, Eckert M, Giannaras A, Kumar S, Levine B, Nicolas JM, Pasau P, Pégurier C, Preda D, Van houtvin N, Volosov A, Zou D.: Discovery of new C3aR ligands. Part 2: amino-piperidine derivatives. Bioorg Med Chem Lett, Volume 17 (12), 2007";ChEMBL
MM475441;MM475441;O=c1n(Cc2nc3ccccc3n2CCCCF)c2cnccc2n1CC(F)(F)F;ZFHZJGWAJOWZGK-UHFFFAOYSA-N;421.4;3.91;;;;;CACO;ECACO;25;0;"<a href=https://www.ebi.ac.uk/chembl/assay_report_card/CHEMBL891578/  target=_blank>CHEMBL891578</a>";;;;;;;;;-4.61;;;;;;;;;;;;"Yu KL, Sin N, Civiello RL, Wang XA, Combrink KD, Gulgeze HB, Venables BL, Wright JJ, Dalterio RA, Zadjura L, Marino A, Dando S, D'Arienzo C, Kadow KF, Cianci CW, Li Z, Clarke J, Genovesi EV, Medina I, Lamb L, Colonno RJ, Yang Z, Krystal M, Meanwell NA.: Respiratory syncytial virus fusion inhibitors. Part 4: optimization for oral bioavailability. Bioorg Med Chem Lett, Volume 17 (4), 2007";ChEMBL
MM475442;MM475442;O=C(NC1CCN(C(=O)CCc2cccnc2)CC1)C(c1ccccc1)C1CCC(F)(F)CC1;ICHRXXYYJYXFNM-UHFFFAOYSA-N;469.58;4.73;44430527;;;CHEMBL233028;CACO;ECACO;25;0;"<a href=https://www.ebi.ac.uk/chembl/assay_report_card/CHEMBL894525/  target=_blank>CHEMBL894525</a>";;;;;;;;;-4.8;;;;;;;;;;;;"Denonne F, Binet S, Burton M, Collart P, Defays S, Dipesa A, Eckert M, Giannaras A, Kumar S, Levine B, Nicolas JM, Pasau P, Pégurier C, Preda D, Van houtvin N, Volosov A, Zou D.: Discovery of new C3aR ligands. Part 2: amino-piperidine derivatives. Bioorg Med Chem Lett, Volume 17 (12), 2007";ChEMBL
MM475444;MM475444;C#CCN1CC(NC(=O)c2ccc(Cc3cc(C)nc4ccccc34)cc2)C(C(=O)NO)C1;YIIFUMKWGPMPET-LADGPHEKSA-N;442.52;2.3;44431847;;;CHEMBL233629;CACO;ECACO;25;0;"<a href=https://www.ebi.ac.uk/chembl/assay_report_card/CHEMBL897361/  target=_blank>CHEMBL897361</a>";;;;;;;;;-6.15;;;;;;;;;;;;"Chen XT, Ghavimi B, Corbett RL, Xue CB, Liu RQ, Covington MB, Qian M, Vaddi KG, Christ DD, Hartman KD, Ribadeneira MD, Trzaskos JM, Newton RC, Decicco CP, Duan JJ.: A new 4-(2-methylquinolin-4-ylmethyl)phenyl P1' group for the beta-amino hydroxamic acid derived TACE inhibitors. Bioorg Med Chem Lett, Volume 17 (7), 2007";ChEMBL
MM475445;MM475445;O=C(NC1CCN(C(=O)CCc2cccnc2)CC1)C(c1ccc(Cl)cc1)C1CCCCC1;MVZBPBBWVBYVKZ-UHFFFAOYSA-N;468.04;5.14;44430541;;;CHEMBL233675;CACO;ECACO;25;0;"<a href=https://www.ebi.ac.uk/chembl/assay_report_card/CHEMBL894525/  target=_blank>CHEMBL894525</a>";;;;;;;;;-5;;;;;;;;;;;;"Denonne F, Binet S, Burton M, Collart P, Defays S, Dipesa A, Eckert M, Giannaras A, Kumar S, Levine B, Nicolas JM, Pasau P, Pégurier C, Preda D, Van houtvin N, Volosov A, Zou D.: Discovery of new C3aR ligands. Part 2: amino-piperidine derivatives. Bioorg Med Chem Lett, Volume 17 (12), 2007";ChEMBL
MM475446;MM475446;O=C(Nc1ccc(C(F)(F)F)c(Cl)c1)c1ccnn1CCc1ccncc1;LMEHSVKTVLMKTO-UHFFFAOYSA-N;394.78;4.45;44431911;;;CHEMBL233823;CACO;ECACO;25;0;"<a href=https://www.ebi.ac.uk/chembl/assay_report_card/CHEMBL897525/  target=_blank>CHEMBL897525</a>";;;;;;;;;-5.34;;;;;;;;;;;;"Kiselyov AS, Milligan D, Ouyang X.: Novel inhibitors of VEGF receptors-1 and -2 based on azole-5-carboxamide templates. Bioorg Med Chem Lett, Volume 17 (13), 2007";ChEMBL
MM475447;MM475447;CC#CCN1CC(NC(=O)c2ccc(Cc3cc(C)nc4ccccc34)cc2)C(C(=O)NO)C1;LBHPINDOHXBHHL-UKILVPOCSA-N;456.55;2.69;44431848;;;CHEMBL233842;CACO;ECACO;25;0;"<a href=https://www.ebi.ac.uk/chembl/assay_report_card/CHEMBL897361/  target=_blank>CHEMBL897361</a>";;;;;;;;;-5.72;;;;;;;;;;;;"Chen XT, Ghavimi B, Corbett RL, Xue CB, Liu RQ, Covington MB, Qian M, Vaddi KG, Christ DD, Hartman KD, Ribadeneira MD, Trzaskos JM, Newton RC, Decicco CP, Duan JJ.: A new 4-(2-methylquinolin-4-ylmethyl)phenyl P1' group for the beta-amino hydroxamic acid derived TACE inhibitors. Bioorg Med Chem Lett, Volume 17 (7), 2007";ChEMBL
MM475448;MM475448;CCCCS(=O)(=O)N1CC(NC(=O)c2ccc(Cc3cc(C)nc4ccccc34)cc2)C(C(=O)NO)C1;XDSDBWPXGOPPFL-UKILVPOCSA-N;524.64;2.8;44431850;;;CHEMBL233843;CACO;ECACO;25;0;"<a href=https://www.ebi.ac.uk/chembl/assay_report_card/CHEMBL897361/  target=_blank>CHEMBL897361</a>";;;;;;;;;-6.52;;;;;;;;;;;;"Chen XT, Ghavimi B, Corbett RL, Xue CB, Liu RQ, Covington MB, Qian M, Vaddi KG, Christ DD, Hartman KD, Ribadeneira MD, Trzaskos JM, Newton RC, Decicco CP, Duan JJ.: A new 4-(2-methylquinolin-4-ylmethyl)phenyl P1' group for the beta-amino hydroxamic acid derived TACE inhibitors. Bioorg Med Chem Lett, Volume 17 (7), 2007";ChEMBL
MM475449;MM475449;COC(=O)N1CC(NC(=O)c2ccc(Cc3cc(C)nc4ccccc34)cc2)C(C(=O)NO)C1;ZASAXMMLZWOHBG-RBBKRZOGSA-N;462.51;2.44;44431851;;;CHEMBL233844;CACO;ECACO;25;0;"<a href=https://www.ebi.ac.uk/chembl/assay_report_card/CHEMBL897361/  target=_blank>CHEMBL897361</a>";;;;;;;;;-7;;;;;;;;;;;;"Chen XT, Ghavimi B, Corbett RL, Xue CB, Liu RQ, Covington MB, Qian M, Vaddi KG, Christ DD, Hartman KD, Ribadeneira MD, Trzaskos JM, Newton RC, Decicco CP, Duan JJ.: A new 4-(2-methylquinolin-4-ylmethyl)phenyl P1' group for the beta-amino hydroxamic acid derived TACE inhibitors. Bioorg Med Chem Lett, Volume 17 (7), 2007";ChEMBL
MM475450;MM475450;CC(C)(C)n1c(=O)n(Cc2nc3ccccc3n2CCCC#N)c2cnccc21;JBFMVOOXTURQJL-UHFFFAOYSA-N;388.48;3.65;18334731;;;CHEMBL233892;CACO;ECACO;25;0;"<a href=https://www.ebi.ac.uk/chembl/assay_report_card/CHEMBL891578/  target=_blank>CHEMBL891578</a>";;;;;;;;;-4.67;;;;;;;;;;;;"Yu KL, Sin N, Civiello RL, Wang XA, Combrink KD, Gulgeze HB, Venables BL, Wright JJ, Dalterio RA, Zadjura L, Marino A, Dando S, D'Arienzo C, Kadow KF, Cianci CW, Li Z, Clarke J, Genovesi EV, Medina I, Lamb L, Colonno RJ, Yang Z, Krystal M, Meanwell NA.: Respiratory syncytial virus fusion inhibitors. Part 4: optimization for oral bioavailability. Bioorg Med Chem Lett, Volume 17 (4), 2007";ChEMBL
MM475451;MM475451;N#CCCCn1c(Cn2c(=O)n(C3CCC3)c3ccncc32)nc2ccccc21;VWEPARILXXFAMM-UHFFFAOYSA-N;386.46;3.62;18334710;;;CHEMBL233893;CACO;ECACO;25;0;"<a href=https://www.ebi.ac.uk/chembl/assay_report_card/CHEMBL891578/  target=_blank>CHEMBL891578</a>";;;;;;;;;-4.77;;;;;;;;;;;;"Yu KL, Sin N, Civiello RL, Wang XA, Combrink KD, Gulgeze HB, Venables BL, Wright JJ, Dalterio RA, Zadjura L, Marino A, Dando S, D'Arienzo C, Kadow KF, Cianci CW, Li Z, Clarke J, Genovesi EV, Medina I, Lamb L, Colonno RJ, Yang Z, Krystal M, Meanwell NA.: Respiratory syncytial virus fusion inhibitors. Part 4: optimization for oral bioavailability. Bioorg Med Chem Lett, Volume 17 (4), 2007";ChEMBL
MM475453;MM475453;O=C(NC1CCCC1NC(=O)c1ccc(Cl)s1)c1ccc(-n2ccccc2=O)cc1;QCPYHSAHOYXXQK-DLBZAZTESA-N;441.94;3.63;9954980;;;CHEMBL233992;CACO;ECACO;25;0;"<a href=https://www.ebi.ac.uk/chembl/assay_report_card/CHEMBL897896/  target=_blank>CHEMBL897896</a>";;;;;;;;;-5.04;;;;;;;;;;;;"Qiao JX, Wang TC, Wang GZ, Cheney DL, He K, Rendina AR, Xin B, Luettgen JM, Knabb RM, Wexler RR, Lam PY.: Enantiopure five-membered cyclicdiamine derivatives as potent and selective inhibitors of factor Xa. Improving in vitro metabolic stability via core modifications. Bioorg Med Chem Lett, Volume 17 (18), 2007";ChEMBL
MM475454;MM475454;Cc1cc(Cc2cccc(C(=O)NC3COCC3C(=O)NO)c2)c2ccccc2n1;UNCGRKPTWVECFJ-PZJWPPBQSA-N;405.45;2.38;44431853;;;CHEMBL234033;CACO;ECACO;25;0;"<a href=https://www.ebi.ac.uk/chembl/assay_report_card/CHEMBL897361/  target=_blank>CHEMBL897361</a>";;;;;;;;;-7;;;;;;;;;;;;"Chen XT, Ghavimi B, Corbett RL, Xue CB, Liu RQ, Covington MB, Qian M, Vaddi KG, Christ DD, Hartman KD, Ribadeneira MD, Trzaskos JM, Newton RC, Decicco CP, Duan JJ.: A new 4-(2-methylquinolin-4-ylmethyl)phenyl P1' group for the beta-amino hydroxamic acid derived TACE inhibitors. Bioorg Med Chem Lett, Volume 17 (7), 2007";ChEMBL
MM475455;MM475455;Cc1cc(Cc2ccc(C(=O)NC3CCOCC3C(=O)NO)cc2)c2ccccc2n1;NMHJSIJTDAPUMQ-RBBKRZOGSA-N;419.48;2.77;16730519;;;CHEMBL234034;CACO;ECACO;25;0;"<a href=https://www.ebi.ac.uk/chembl/assay_report_card/CHEMBL897361/  target=_blank>CHEMBL897361</a>";;;;;;;;;-6.22;;;;;;;;;;;;"Chen XT, Ghavimi B, Corbett RL, Xue CB, Liu RQ, Covington MB, Qian M, Vaddi KG, Christ DD, Hartman KD, Ribadeneira MD, Trzaskos JM, Newton RC, Decicco CP, Duan JJ.: A new 4-(2-methylquinolin-4-ylmethyl)phenyl P1' group for the beta-amino hydroxamic acid derived TACE inhibitors. Bioorg Med Chem Lett, Volume 17 (7), 2007";ChEMBL
MM475456;MM475456;Cc1cc(Cc2ccc(C(=O)NC3CN(CC(C)(C)C)CC3C(=O)NO)cc2)c2ccccc2n1;KEGZCMGJDRKBBL-UKILVPOCSA-N;474.61;3.72;44431846;;;CHEMBL234199;CACO;ECACO;25;0;"<a href=https://www.ebi.ac.uk/chembl/assay_report_card/CHEMBL897361/  target=_blank>CHEMBL897361</a>";;;;;;;;;-5.03;;;;;;;;;;;;"Chen XT, Ghavimi B, Corbett RL, Xue CB, Liu RQ, Covington MB, Qian M, Vaddi KG, Christ DD, Hartman KD, Ribadeneira MD, Trzaskos JM, Newton RC, Decicco CP, Duan JJ.: A new 4-(2-methylquinolin-4-ylmethyl)phenyl P1' group for the beta-amino hydroxamic acid derived TACE inhibitors. Bioorg Med Chem Lett, Volume 17 (7), 2007";ChEMBL
MM475457;MM475457;O=C(NCc1ccccn1)c1ccc2c(c1)Cc1c(-c3ccc(-c4ccc(O)cc4)cc3)n[nH]c1-2;GALUBKKRBHABCT-UHFFFAOYSA-N;458.52;5.35;135796852;;;CHEMBL234479;CACO;ECACO;25;0;"<a href=https://www.ebi.ac.uk/chembl/assay_report_card/CHEMBL896352/  target=_blank>CHEMBL896352</a>";;;;;;;;;-4.88;;;;;;;;;;;;"Tong Y, Claiborne A, Pyzytulinska M, Tao ZF, Stewart KD, Kovar P, Chen Z, Credo RB, Guan R, Merta PJ, Zhang H, Bouska J, Everitt EA, Murry BP, Hickman D, Stratton TJ, Wu J, Rosenberg SH, Sham HL, Sowin TJ, Lin NH.: 1,4-Dihydroindeno[1,2-c]pyrazoles as potent checkpoint kinase 1 inhibitors: extended exploration on phenyl ring substitutions and preliminary ADME/PK studies. Bioorg Med Chem Lett, Volume 17 (13), 2007";ChEMBL
MM475458;MM475458;O=C(NC1CCN(C(=O)CCc2ccc(F)nc2)CC1)C(c1ccccc1)C1CCCCC1;IFFJKARLWFETLS-UHFFFAOYSA-N;451.59;4.62;44430555;;;CHEMBL234522;CACO;ECACO;25;0;"<a href=https://www.ebi.ac.uk/chembl/assay_report_card/CHEMBL894525/  target=_blank>CHEMBL894525</a>";;;;;;;;;-4.72;;;;;;;;;;;;"Denonne F, Binet S, Burton M, Collart P, Defays S, Dipesa A, Eckert M, Giannaras A, Kumar S, Levine B, Nicolas JM, Pasau P, Pégurier C, Preda D, Van houtvin N, Volosov A, Zou D.: Discovery of new C3aR ligands. Part 2: amino-piperidine derivatives. Bioorg Med Chem Lett, Volume 17 (12), 2007";ChEMBL
MM475459;MM475459;O=C(NC1CCN(C(=O)C=Cc2cccnc2)CC1)C(c1ccccc1)C1CCCCC1;CENVSZJSDHGUKD-BUHFOSPRSA-N;431.58;4.57;44430556;;;CHEMBL234523;CACO;ECACO;25;0;"<a href=https://www.ebi.ac.uk/chembl/assay_report_card/CHEMBL894525/  target=_blank>CHEMBL894525</a>";;;;;;;;;-5.07;;;;;;;;;;;;"Denonne F, Binet S, Burton M, Collart P, Defays S, Dipesa A, Eckert M, Giannaras A, Kumar S, Levine B, Nicolas JM, Pasau P, Pégurier C, Preda D, Van houtvin N, Volosov A, Zou D.: Discovery of new C3aR ligands. Part 2: amino-piperidine derivatives. Bioorg Med Chem Lett, Volume 17 (12), 2007";ChEMBL
MM475462;MM475462;Cc1cncc(C=CC(=O)N2CCC(NC(=O)C(c3ccccc3)C3CCCCC3)CC2)c1;UDTUOBVREMCEKC-OUKQBFOZSA-N;445.61;4.87;44430557;;;CHEMBL234729;CACO;ECACO;25;0;"<a href=https://www.ebi.ac.uk/chembl/assay_report_card/CHEMBL894525/  target=_blank>CHEMBL894525</a>";;;;;;;;;-5.1;;;;;;;;;;;;"Denonne F, Binet S, Burton M, Collart P, Defays S, Dipesa A, Eckert M, Giannaras A, Kumar S, Levine B, Nicolas JM, Pasau P, Pégurier C, Preda D, Van houtvin N, Volosov A, Zou D.: Discovery of new C3aR ligands. Part 2: amino-piperidine derivatives. Bioorg Med Chem Lett, Volume 17 (12), 2007";ChEMBL
MM475464;MM475464;COc1ccc(-n2nc(C(N)=O)c3c2C(=O)N(c2ccc(-c4ccccc4CN4CCC(O)C4)cc2)CC3)cc1;DHISSSXEEMPPQB-XMMPIXPASA-N;537.62;3.42;23636371;;;CHEMBL235265;CACO;ECACO;25;0;"<a href=https://www.ebi.ac.uk/chembl/assay_report_card/CHEMBL900671/  target=_blank>CHEMBL900671</a>";;;;;;;;;-5.64;;;;;;;;;;;;"Pinto DJ, Orwat MJ, Koch S, Rossi KA, Alexander RS, Smallwood A, Wong PC, Rendina AR, Luettgen JM, Knabb RM, He K, Xin B, Wexler RR, Lam PY.: Discovery of 1-(4-methoxyphenyl)-7-oxo-6-(4-(2-oxopiperidin-1-yl)phenyl)-4,5,6,7-tetrahydro-1H-pyrazolo[3,4-c]pyridine-3-carboxamide (apixaban, BMS-562247), a highly potent, selective, efficacious, and orally bioavailable inhibitor of blood coagulation factor Xa. J Med Chem, Volume 50 (22), 2007";ChEMBL
MM475465;MM475465;NC(=O)C(Cc1ccccc1)N1CCNC(=O)CCNC(Cc2ccccc2)C(=O)NCC(=O)NCC(=O)NCC(=O)NCC1=O;BVUJMINMQKBSIS-ZEQRLZLVSA-N;636.71;-2.9;23730722;;;CHEMBL235510;CACO;ECACO;25;0;"<a href=https://www.ebi.ac.uk/chembl/assay_report_card/CHEMBL901110/  target=_blank>CHEMBL901110</a>";;;;;;;;;-5.27;;;;;;;;;;;;"Hess S, Ovadia O, Shalev DE, Senderovich H, Qadri B, Yehezkel T, Salitra Y, Sheynis T, Jelinek R, Gilon C, Hoffman A.: Effect of structural and conformation modifications, including backbone cyclization, of hydrophilic hexapeptides on their intestinal permeability and enzymatic stability. J Med Chem, Volume 50 (24), 2007";ChEMBL
MM475466;MM475466;NC(=O)C(Cc1ccccc1)N1CCNC(=O)CCCNC(Cc2ccccc2)C(=O)NCC(=O)NCC(=O)NCC(=O)NCC1=O;FJAIODVIAPJCOL-DQEYMECFSA-N;650.74;-2.51;23730956;;;CHEMBL235515;CACO;ECACO;25;0;"<a href=https://www.ebi.ac.uk/chembl/assay_report_card/CHEMBL901110/  target=_blank>CHEMBL901110</a>";;;;;;;;;-5.56;;;;;;;;;;;;"Hess S, Ovadia O, Shalev DE, Senderovich H, Qadri B, Yehezkel T, Salitra Y, Sheynis T, Jelinek R, Gilon C, Hoffman A.: Effect of structural and conformation modifications, including backbone cyclization, of hydrophilic hexapeptides on their intestinal permeability and enzymatic stability. J Med Chem, Volume 50 (24), 2007";ChEMBL
MM475467;MM475467;COc1ccc(-n2nc(C(N)=O)c3c2C(=O)N(c2ccc(N(C)C(C)=O)cc2)CC3)cc1;FDHXDGIWUSXLEQ-UHFFFAOYSA-N;433.47;2.17;23635500;;;CHEMBL235710;CACO;ECACO;25;0;"<a href=https://www.ebi.ac.uk/chembl/assay_report_card/CHEMBL900671/  target=_blank>CHEMBL900671</a>";;;;;;;;;-5.6;;;;;;;;;;;;"Pinto DJ, Orwat MJ, Koch S, Rossi KA, Alexander RS, Smallwood A, Wong PC, Rendina AR, Luettgen JM, Knabb RM, He K, Xin B, Wexler RR, Lam PY.: Discovery of 1-(4-methoxyphenyl)-7-oxo-6-(4-(2-oxopiperidin-1-yl)phenyl)-4,5,6,7-tetrahydro-1H-pyrazolo[3,4-c]pyridine-3-carboxamide (apixaban, BMS-562247), a highly potent, selective, efficacious, and orally bioavailable inhibitor of blood coagulation factor Xa. J Med Chem, Volume 50 (22), 2007";ChEMBL
MM475468;MM475468;NC(=O)C(Cc1ccccc1)N1CCNC(=O)CCCCNC(Cc2ccccc2)C(=O)NCC(=O)NCC(=O)NCC(=O)NCC1=O;UMMASYNLXGQTLK-UIOOFZCWSA-N;664.76;-2.12;23730957;;;CHEMBL235919;CACO;ECACO;25;0;"<a href=https://www.ebi.ac.uk/chembl/assay_report_card/CHEMBL901110/  target=_blank>CHEMBL901110</a>";;;;;;;;;-5.82;;;;;;;;;;;;"Hess S, Ovadia O, Shalev DE, Senderovich H, Qadri B, Yehezkel T, Salitra Y, Sheynis T, Jelinek R, Gilon C, Hoffman A.: Effect of structural and conformation modifications, including backbone cyclization, of hydrophilic hexapeptides on their intestinal permeability and enzymatic stability. J Med Chem, Volume 50 (24), 2007";ChEMBL
MM475469;MM475469;CC(C)CC1NC(=O)C(Cc2ccccc2)NC(=O)C(CC(=O)O)NC(=O)CNC(=O)C(CCCN=C(N)N)NC(=O)CNC1=O;VRTNUMBPIBDYLD-BURNTYAHSA-N;645.72;-2.8;15409414;;;CHEMBL235999;CACO;ECACO;25;0;"<a href=https://www.ebi.ac.uk/chembl/assay_report_card/CHEMBL902034/  target=_blank>CHEMBL902034</a>";;;;;;;;;-7.52;;;;;;;;;;;;"Chatterjee J, Ovadia O, Zahn G, Marinelli L, Hoffman A, Gilon C, Kessler H.: Multiple N-methylation by a designed approach enhances receptor selectivity. J Med Chem, Volume 50 (24), 2007";ChEMBL
MM475470;MM475470;CN1CC(=O)N(C)CC(=O)N(C(Cc2ccccc2)C(N)=O)CCNC(=O)CCNC(Cc2ccccc2)C(=O)N(C)CC(=O)N(C)CC1=O;LBXJAAVDRRBXBR-NSOVKSMOSA-N;692.82;-1.53;23730840;;;CHEMBL236147;CACO;ECACO;25;0;"<a href=https://www.ebi.ac.uk/chembl/assay_report_card/CHEMBL901110/  target=_blank>CHEMBL901110</a>";;;;;;;;;-5.81;;;;;;;;;;;;"Hess S, Ovadia O, Shalev DE, Senderovich H, Qadri B, Yehezkel T, Salitra Y, Sheynis T, Jelinek R, Gilon C, Hoffman A.: Effect of structural and conformation modifications, including backbone cyclization, of hydrophilic hexapeptides on their intestinal permeability and enzymatic stability. J Med Chem, Volume 50 (24), 2007";ChEMBL
MM475471;MM475471;O=C(Nc1ccc(OC(F)(F)F)cc1)c1ccnn1CCc1ccncc1;PPTQGESVTYQYST-UHFFFAOYSA-N;376.34;3.67;44431899;;;CHEMBL236205;CACO;ECACO;25;0;"<a href=https://www.ebi.ac.uk/chembl/assay_report_card/CHEMBL897525/  target=_blank>CHEMBL897525</a>";;;;;;;;;-5.15;;;;;;;;;;;;"Kiselyov AS, Milligan D, Ouyang X.: Novel inhibitors of VEGF receptors-1 and -2 based on azole-5-carboxamide templates. Bioorg Med Chem Lett, Volume 17 (13), 2007";ChEMBL
MM475472;MM475472;CC(C)CC1C(=O)NCC(=O)NC(CCCN=C(N)N)C(=O)NCC(=O)NC(CC(=O)O)C(=O)N(C)C(Cc2ccccc2)C(=O)N1C;OSJUGTDOLQDPEG-CWBXHPNXSA-N;673.77;-2.12;23731245;;;CHEMBL236213;CACO;ECACO;25;0;"<a href=https://www.ebi.ac.uk/chembl/assay_report_card/CHEMBL902034/  target=_blank>CHEMBL902034</a>";;;;;;;;;-7.52;;;;;;;;;;;;"Chatterjee J, Ovadia O, Zahn G, Marinelli L, Hoffman A, Gilon C, Kessler H.: Multiple N-methylation by a designed approach enhances receptor selectivity. J Med Chem, Volume 50 (24), 2007";ChEMBL
MM475473;MM475473;O=C(Nc1cccc(OC(F)(F)Cl)c1)c1ccnn1CCc1ccncc1;ZYNVSINHORTDLH-UHFFFAOYSA-N;392.79;3.94;44431901;;;CHEMBL236419;CACO;ECACO;25;0;"<a href=https://www.ebi.ac.uk/chembl/assay_report_card/CHEMBL897525/  target=_blank>CHEMBL897525</a>";;;;;;;;;-5.32;;;;;;;;;;;;"Kiselyov AS, Milligan D, Ouyang X.: Novel inhibitors of VEGF receptors-1 and -2 based on azole-5-carboxamide templates. Bioorg Med Chem Lett, Volume 17 (13), 2007";ChEMBL
MM475474;MM475474;CC(C)c1ccc(NC(=O)c2ccnn2CCc2ccncc2)cc1;MXTUGQFJAIVHPO-UHFFFAOYSA-N;334.42;3.9;44431903;;;CHEMBL236420;CACO;ECACO;25;0;"<a href=https://www.ebi.ac.uk/chembl/assay_report_card/CHEMBL897525/  target=_blank>CHEMBL897525</a>";;;;;;;;;-5.09;;;;;;;;;;;;"Kiselyov AS, Milligan D, Ouyang X.: Novel inhibitors of VEGF receptors-1 and -2 based on azole-5-carboxamide templates. Bioorg Med Chem Lett, Volume 17 (13), 2007";ChEMBL
MM475475;MM475475;CCC(C)C(NC(=O)C(CC(=O)O)NC(=O)C(CC(C)C)NC(=O)C(NC(C)=O)C(c1ccccc1)c1ccccc1)C(=O)N(C)C(C(=O)NC(Cc1c[nH]c2ccccc12)C(=O)O)C(C)CC;YDAXRUPDVTYDII-KUIIPSLPSA-N;938.14;4.51;73348425;;;CHEMBL2369736;CACO;ECACO;25;0;"<a href=https://www.ebi.ac.uk/chembl/assay_report_card/CHEMBL653931/  target=_blank>CHEMBL653931</a>";;;;;;;;;-5.48;;;;;;;;;;;;"Cody WL, He JX, Reily MD, Haleen SJ, Walker DM, Reyner EL, Stewart BH, Doherty AM.: Design of a potent combined pseudopeptide endothelin-A/endothelin-B receptor antagonist, Ac-DBhg16-Leu-Asp-Ile-[NMe]Ile-Trp21 (PD 156252): examination of its pharmacokinetic and spectral properties. J Med Chem, Volume 40 (14), 1997";ChEMBL
MM475476;MM475476;CC(C)CC1NC(=O)C(Cc2ccccc2)NC(=O)C(CC(=O)O)NC(=O)CNC(=O)C(CCCN=C(N)N)N(C)C(=O)CNC1=O;NCRTXTOOWLTIEL-LRSLUSHPSA-N;659.75;-2.46;23731244;;;CHEMBL237056;CACO;ECACO;25;0;"<a href=https://www.ebi.ac.uk/chembl/assay_report_card/CHEMBL902034/  target=_blank>CHEMBL902034</a>";;;;;;;;;-7.52;;;;;;;;;;;;"Chatterjee J, Ovadia O, Zahn G, Marinelli L, Hoffman A, Gilon C, Kessler H.: Multiple N-methylation by a designed approach enhances receptor selectivity. J Med Chem, Volume 50 (24), 2007";ChEMBL
MM475477;MM475477;CC(C)CC1C(=O)NCC(=O)N(C)C(CCCN=C(N)N)C(=O)NCC(=O)NC(CC(=O)O)C(=O)NC(Cc2ccccc2)C(=O)N1C;KOSFSUYNKQIHHY-BJESRGMDSA-N;673.77;-2.12;23731246;;;CHEMBL237057;CACO;ECACO;25;0;"<a href=https://www.ebi.ac.uk/chembl/assay_report_card/CHEMBL902034/  target=_blank>CHEMBL902034</a>";;;;;;;;;-7.52;;;;;;;;;;;;"Chatterjee J, Ovadia O, Zahn G, Marinelli L, Hoffman A, Gilon C, Kessler H.: Multiple N-methylation by a designed approach enhances receptor selectivity. J Med Chem, Volume 50 (24), 2007";ChEMBL
MM475478;MM475478;CCCCCCCCC(NC(=O)[C@@H](NC(=O)[C@H](CSCNC(C)=O)NC(=O)[C@H](CCCCN)NC(=O)[C@H](Cc1c[nH]c2ccccc12)NC(=O)[C@@H](NC(=O)[C@H](CSCNC(C)=O)NC(=O)[C@H](N)Cc1ccccc1)c1ccc(O)cc1)[C@@H](C)O)C(=O)NCC(=O)O;;1304.61;0.87;;;;CHEMBL2370672;CACO;ECACO;25;0;"<a href=https://www.ebi.ac.uk/chembl/assay_report_card/CHEMBL632378/  target=_blank>CHEMBL632378</a>";;;;;;;;;-5.74;;;;;;;;;;;;"Tóth I, Malkinson JP, Flinn NS, Drouillat B, Horváth A, Erchegyi J, Idei M, Venetianer A, Artursson P, Lazorova L, Szende B, Kéri G.: Novel lipoamino acid- and liposaccharide-based system for peptide delivery: application for oral administration of tumor-selective somatostatin analogues. J Med Chem, Volume 42 (19), 1999";ChEMBL
MM475478;MM475478;CCCCCCCCC(NC(=O)[C@@H](NC(=O)[C@H](CSCNC(C)=O)NC(=O)[C@H](CCCCN)NC(=O)[C@H](Cc1c[nH]c2ccccc12)NC(=O)[C@@H](NC(=O)[C@H](CSCNC(C)=O)NC(=O)[C@H](N)Cc1ccccc1)c1ccc(O)cc1)[C@@H](C)O)C(=O)NCC(=O)O;;1304.61;0.87;;;;CHEMBL2370672;CACO;ECACO;25;0;"<a href=https://www.ebi.ac.uk/chembl/assay_report_card/CHEMBL632379/  target=_blank>CHEMBL632379</a>";;;;;;;;;-5.96;;;;;;;;;;;;"Tóth I, Malkinson JP, Flinn NS, Drouillat B, Horváth A, Erchegyi J, Idei M, Venetianer A, Artursson P, Lazorova L, Szende B, Kéri G.: Novel lipoamino acid- and liposaccharide-based system for peptide delivery: application for oral administration of tumor-selective somatostatin analogues. J Med Chem, Volume 42 (19), 1999";ChEMBL
MM475479;MM475479;CCCCCCCCCCCCCCCCC(N)C(=O)N[C@H](Cc1ccccc1)C(=O)N[C@@H](CSCNC(C)=O)C(=O)N[C@H](C(=O)N[C@@H](Cc1c[nH]c2ccccc12)C(=O)N[C@@H](CCCCN)C(=O)N[C@@H](CSCNC(C)=O)C(=O)N[C@H](C(N)=O)[C@@H](C)O)c1ccc(O)cc1;;1358.79;4.27;;;;CHEMBL2370682;CACO;ECACO;25;0;"<a href=https://www.ebi.ac.uk/chembl/assay_report_card/CHEMBL632376/  target=_blank>CHEMBL632376</a>";;;;;;;;;-5.71;;;;;;;;;;;;"Tóth I, Malkinson JP, Flinn NS, Drouillat B, Horváth A, Erchegyi J, Idei M, Venetianer A, Artursson P, Lazorova L, Szende B, Kéri G.: Novel lipoamino acid- and liposaccharide-based system for peptide delivery: application for oral administration of tumor-selective somatostatin analogues. J Med Chem, Volume 42 (19), 1999";ChEMBL
MM475479;MM475479;CCCCCCCCCCCCCCCCC(N)C(=O)N[C@H](Cc1ccccc1)C(=O)N[C@@H](CSCNC(C)=O)C(=O)N[C@H](C(=O)N[C@@H](Cc1c[nH]c2ccccc12)C(=O)N[C@@H](CCCCN)C(=O)N[C@@H](CSCNC(C)=O)C(=O)N[C@H](C(N)=O)[C@@H](C)O)c1ccc(O)cc1;;1358.79;4.27;;;;CHEMBL2370682;CACO;ECACO;25;0;"<a href=https://www.ebi.ac.uk/chembl/assay_report_card/CHEMBL632377/  target=_blank>CHEMBL632377</a>";;;;;;;;;-5.78;;;;;;;;;;;;"Tóth I, Malkinson JP, Flinn NS, Drouillat B, Horváth A, Erchegyi J, Idei M, Venetianer A, Artursson P, Lazorova L, Szende B, Kéri G.: Novel lipoamino acid- and liposaccharide-based system for peptide delivery: application for oral administration of tumor-selective somatostatin analogues. J Med Chem, Volume 42 (19), 1999";ChEMBL
MM475480;MM475480;N=C(N)NCCCC(NC(=O)C(CCCNC(=N)N)NC(=O)C(CCCNC(=N)N)NC(=O)C(CCCNC(=N)N)NC(=O)C(CCCNC(=N)N)NC(=O)C(CCCNC(=N)N)NC(=O)C(CCCNC(=N)N)NC(=O)CCCNC(=S)Nc1ccc(-c2c3ccc(=O)cc-3oc3ccccc23)c(C(=O)O)c1)C(N)=O;DZVLZGVPWYKXRX-MPQQPVPHSA-N;1568.85;-4.95;44435661;;;CHEMBL237201;CACO;ECACO;25;0;"<a href=https://www.ebi.ac.uk/chembl/assay_report_card/CHEMBL898000/  target=_blank>CHEMBL898000</a>";;;;;;;;;-6.42;;;;;;;;;;;;"Hayashi Y, Takayama K, Suehisa Y, Fujita T, Nguyen JT, Futaki S, Yamamoto A, Kiso Y.: Development of oligoarginine-drug conjugates linked to new peptidic self-cleavable spacers toward effective intestinal absorption. Bioorg Med Chem Lett, Volume 17 (18), 2007";ChEMBL
MM475481;MM475481;CC(NC(=O)C(C)NC(=O)C(Cc1ccccc1)NCCC(=O)O)C(=O)NC(C)C(=O)NC(C)C(=O)N(CCN)C(Cc1ccccc1)C(N)=O;VJCGDOIUXBGBOZ-YPZLOKHQSA-N;710.83;-1.44;44435747;;;CHEMBL237220;CACO;ECACO;25;0;"<a href=https://www.ebi.ac.uk/chembl/assay_report_card/CHEMBL901110/  target=_blank>CHEMBL901110</a>";;;;;;;;;-6.7;;;;;;;;;;;;"Hess S, Ovadia O, Shalev DE, Senderovich H, Qadri B, Yehezkel T, Salitra Y, Sheynis T, Jelinek R, Gilon C, Hoffman A.: Effect of structural and conformation modifications, including backbone cyclization, of hydrophilic hexapeptides on their intestinal permeability and enzymatic stability. J Med Chem, Volume 50 (24), 2007";ChEMBL
MM475482;MM475482;CNC(Cc1ccccc1)C(=O)NC(C)C(=O)NC(C)C(=O)NC(C)C(=O)NC(C)C(=O)N(C)C(Cc1ccccc1)C(N)=O;JGYBUXQVWOVQDV-BNCSLUSBSA-N;623.76;-0.61;23731079;;;CHEMBL237224;CACO;ECACO;25;0;"<a href=https://www.ebi.ac.uk/chembl/assay_report_card/CHEMBL901110/  target=_blank>CHEMBL901110</a>";;;;;;;;;-6.55;;;;;;;;;;;;"Hess S, Ovadia O, Shalev DE, Senderovich H, Qadri B, Yehezkel T, Salitra Y, Sheynis T, Jelinek R, Gilon C, Hoffman A.: Effect of structural and conformation modifications, including backbone cyclization, of hydrophilic hexapeptides on their intestinal permeability and enzymatic stability. J Med Chem, Volume 50 (24), 2007";ChEMBL
MM475483;MM475483;CNCc1ccccc1-c1ccc(N2CCc3c(C(N)=O)nn(-c4ccc(OC)cc4)c3C2=O)cc1;WBJAPJNKSSQXAT-UHFFFAOYSA-N;481.56;3.57;10116752;;;CHEMBL237226;CACO;ECACO;25;0;"<a href=https://www.ebi.ac.uk/chembl/assay_report_card/CHEMBL900671/  target=_blank>CHEMBL900671</a>";;;;;;;;;-5.77;;;;;;;;;;;;"Pinto DJ, Orwat MJ, Koch S, Rossi KA, Alexander RS, Smallwood A, Wong PC, Rendina AR, Luettgen JM, Knabb RM, He K, Xin B, Wexler RR, Lam PY.: Discovery of 1-(4-methoxyphenyl)-7-oxo-6-(4-(2-oxopiperidin-1-yl)phenyl)-4,5,6,7-tetrahydro-1H-pyrazolo[3,4-c]pyridine-3-carboxamide (apixaban, BMS-562247), a highly potent, selective, efficacious, and orally bioavailable inhibitor of blood coagulation factor Xa. J Med Chem, Volume 50 (22), 2007";ChEMBL
MM475484;MM475484;CCN(CC)Cc1ccccc1-c1ccc(N2CCc3c(C(N)=O)nn(-c4ccc(OC)cc4)c3C2=O)cc1;VTHIZWRLBYQAKK-UHFFFAOYSA-N;523.64;4.69;23636369;;;CHEMBL237228;CACO;ECACO;25;0;"<a href=https://www.ebi.ac.uk/chembl/assay_report_card/CHEMBL900671/  target=_blank>CHEMBL900671</a>";;;;;;;;;-5.64;;;;;;;;;;;;"Pinto DJ, Orwat MJ, Koch S, Rossi KA, Alexander RS, Smallwood A, Wong PC, Rendina AR, Luettgen JM, Knabb RM, He K, Xin B, Wexler RR, Lam PY.: Discovery of 1-(4-methoxyphenyl)-7-oxo-6-(4-(2-oxopiperidin-1-yl)phenyl)-4,5,6,7-tetrahydro-1H-pyrazolo[3,4-c]pyridine-3-carboxamide (apixaban, BMS-562247), a highly potent, selective, efficacious, and orally bioavailable inhibitor of blood coagulation factor Xa. J Med Chem, Volume 50 (22), 2007";ChEMBL
MM475485;MM475485;CC(C)CC1NC(=O)C(Cc2ccccc2)N(C)C(=O)C(CC(=O)O)NC(=O)CNC(=O)C(CCCN=C(N)N)N(C)C(=O)CNC1=O;HFSFLGRKJKFEHR-CWBXHPNXSA-N;673.77;-2.12;23729562;;;CHEMBL237272;CACO;ECACO;25;0;"<a href=https://www.ebi.ac.uk/chembl/assay_report_card/CHEMBL902034/  target=_blank>CHEMBL902034</a>";;;;;;;;;-7.52;;;;;;;;;;;;"Chatterjee J, Ovadia O, Zahn G, Marinelli L, Hoffman A, Gilon C, Kessler H.: Multiple N-methylation by a designed approach enhances receptor selectivity. J Med Chem, Volume 50 (24), 2007";ChEMBL
MM475486;MM475486;CNC(Cc1ccccc1)C(=O)NC(C)C(=O)NC(C)C(=O)NCC(=O)NCC(=O)N(C)C(Cc1ccccc1)C(N)=O;GDFUCYRWLGGIGG-TZYAJKAJSA-N;595.7;-1.39;23730841;;;CHEMBL237413;CACO;ECACO;25;0;"<a href=https://www.ebi.ac.uk/chembl/assay_report_card/CHEMBL901110/  target=_blank>CHEMBL901110</a>";;;;;;;;;-6.06;;;;;;;;;;;;"Hess S, Ovadia O, Shalev DE, Senderovich H, Qadri B, Yehezkel T, Salitra Y, Sheynis T, Jelinek R, Gilon C, Hoffman A.: Effect of structural and conformation modifications, including backbone cyclization, of hydrophilic hexapeptides on their intestinal permeability and enzymatic stability. J Med Chem, Volume 50 (24), 2007";ChEMBL
MM475487;MM475487;CNC(Cc1ccccc1)C(=O)N(C)CC(=O)N(C)CC(=O)NCC(=O)NCC(=O)N(C)C(Cc1ccccc1)C(N)=O;DMVGHORYUZJPPS-ZEQRLZLVSA-N;595.7;-1.48;23730955;;;CHEMBL237414;CACO;ECACO;25;0;"<a href=https://www.ebi.ac.uk/chembl/assay_report_card/CHEMBL901110/  target=_blank>CHEMBL901110</a>";;;;;;;;;-6.34;;;;;;;;;;;;"Hess S, Ovadia O, Shalev DE, Senderovich H, Qadri B, Yehezkel T, Salitra Y, Sheynis T, Jelinek R, Gilon C, Hoffman A.: Effect of structural and conformation modifications, including backbone cyclization, of hydrophilic hexapeptides on their intestinal permeability and enzymatic stability. J Med Chem, Volume 50 (24), 2007";ChEMBL
MM475488;MM475488;COc1ccc(-n2nc(C(N)=O)c3c2C(=O)N(c2ccc(-c4ccccc4CN4CCC(O)CC4)cc2)CC3)cc1;WYYUKFPDEPUPIJ-UHFFFAOYSA-N;551.65;3.81;12989060;;;CHEMBL237419;CACO;ECACO;25;0;"<a href=https://www.ebi.ac.uk/chembl/assay_report_card/CHEMBL900671/  target=_blank>CHEMBL900671</a>";;;;;;;;;-5.31;;;;;;;;;;;;"Pinto DJ, Orwat MJ, Koch S, Rossi KA, Alexander RS, Smallwood A, Wong PC, Rendina AR, Luettgen JM, Knabb RM, He K, Xin B, Wexler RR, Lam PY.: Discovery of 1-(4-methoxyphenyl)-7-oxo-6-(4-(2-oxopiperidin-1-yl)phenyl)-4,5,6,7-tetrahydro-1H-pyrazolo[3,4-c]pyridine-3-carboxamide (apixaban, BMS-562247), a highly potent, selective, efficacious, and orally bioavailable inhibitor of blood coagulation factor Xa. J Med Chem, Volume 50 (22), 2007";ChEMBL
MM475489;MM475489;COc1ccc(-n2nc(C(N)=O)c3c2C(=O)N(c2ccc(-c4ccccc4CN(CCO)CCO)cc2)CC3)cc1;OOPKOOPFWNIDJI-UHFFFAOYSA-N;555.64;2.64;20872059;;;CHEMBL237420;CACO;ECACO;25;0;"<a href=https://www.ebi.ac.uk/chembl/assay_report_card/CHEMBL900671/  target=_blank>CHEMBL900671</a>";;;;;;;;;-6.05;;;;;;;;;;;;"Pinto DJ, Orwat MJ, Koch S, Rossi KA, Alexander RS, Smallwood A, Wong PC, Rendina AR, Luettgen JM, Knabb RM, He K, Xin B, Wexler RR, Lam PY.: Discovery of 1-(4-methoxyphenyl)-7-oxo-6-(4-(2-oxopiperidin-1-yl)phenyl)-4,5,6,7-tetrahydro-1H-pyrazolo[3,4-c]pyridine-3-carboxamide (apixaban, BMS-562247), a highly potent, selective, efficacious, and orally bioavailable inhibitor of blood coagulation factor Xa. J Med Chem, Volume 50 (22), 2007";ChEMBL
MM475491;MM475491;CCCCCCC(N)C(=O)NC(CCC(N)=O)C(=O)NC(Cc1cnc[nH]1)C(=O)N1CCCC1C(=O)NC1OC(C(N)=O)C(O)C(O)C1O;PZEIZTBQRJKZDT-OECGIBGPSA-N;695.78;-4.11;16755714;;;CHEMBL237712;CACO;ECACO;25;0;"<a href=https://www.ebi.ac.uk/chembl/assay_report_card/CHEMBL898108/  target=_blank>CHEMBL898108</a>";;;;;;;;;-4.79;;;;;;;;;;;;"Wessling ST, Ross BP, Koda Y, Blanchfield JT, Toth I.: Caco-2 cell permeability and stability of two d-glucopyranuronamide conjugates of thyrotropin-releasing hormone. Bioorg Med Chem, Volume 15 (14), 2007";ChEMBL
MM475492;MM475492;CC(C)CC1NC(=O)C(Cc2ccccc2)N(C)C(=O)C(CC(=O)O)NC(=O)CNC(=O)C(CCCN=C(N)N)NC(=O)CNC1=O;YMUBVNOOHWSKFS-MYGLTJDJSA-N;659.75;-2.46;23731243;;;CHEMBL237901;CACO;ECACO;25;0;"<a href=https://www.ebi.ac.uk/chembl/assay_report_card/CHEMBL902034/  target=_blank>CHEMBL902034</a>";;;;;;;;;-7.52;;;;;;;;;;;;"Chatterjee J, Ovadia O, Zahn G, Marinelli L, Hoffman A, Gilon C, Kessler H.: Multiple N-methylation by a designed approach enhances receptor selectivity. J Med Chem, Volume 50 (24), 2007";ChEMBL
MM475493;MM475493;NC(=O)C1OC(NC(=O)C2CCCN2C(=O)C(Cc2cnc[nH]2)NC(=O)C2CCC(=O)N2)C(O)C(O)C1O;MRRQNAPDEGSTKX-BPXHRZAVSA-N;537.53;-4.88;44434379;;;CHEMBL237947;CACO;ECACO;25;0;"<a href=https://www.ebi.ac.uk/chembl/assay_report_card/CHEMBL898108/  target=_blank>CHEMBL898108</a>";;;;;;;;;-5.29;;;;;;;;;;;;"Wessling ST, Ross BP, Koda Y, Blanchfield JT, Toth I.: Caco-2 cell permeability and stability of two d-glucopyranuronamide conjugates of thyrotropin-releasing hormone. Bioorg Med Chem, Volume 15 (14), 2007";ChEMBL
Atenolol;MM00078;CC(C)NCC(O)COc1ccc(CC(N)=O)cc1;METKIMKYRPQLGS-GFCCVEGCSA-N;266.34;0.45;2249;DB00335;;CHEMBL24;CACO;ECACO;25;0;"<a href=https://www.ebi.ac.uk/chembl/assay_report_card/CHEMBL1074672/  target=_blank>CHEMBL1074672</a>";;;;;;;;;-6.44;;;;;;;;;;;;"Du-Cuny L, Song Z, Moses S, Powis G, Mash EA, Meuillet EJ, Zhang S.: Computational modeling of novel inhibitors targeting the Akt pleckstrin homology domain. Bioorg Med Chem, Volume 17 (19), 2009";ChEMBL
Atenolol;MM00078;CC(C)NCC(O)COc1ccc(CC(N)=O)cc1;METKIMKYRPQLGS-GFCCVEGCSA-N;266.34;0.45;2249;DB00335;;CHEMBL24;CACO;ECACO;25;0;"<a href=https://www.ebi.ac.uk/chembl/assay_report_card/CHEMBL945419/  target=_blank>CHEMBL945419</a>";;;;;;;;;-6.4;;;;;;;;;;;;"Kim SH, Tran MT, Ruebsam F, Xiang AX, Ayida B, McGuire H, Ellis D, Blazel J, Tran CV, Murphy DE, Webber SE, Zhou Y, Shah AM, Tsan M, Showalter RE, Patel R, Gobbi A, LeBrun LA, Bartkowski DM, Nolan TG, Norris DA, Sergeeva MV, Kirkovsky L, Zhao Q, Han Q, Kissinger CR.: Structure-based design, synthesis, and biological evaluation of 1,1-dioxoisothiazole and benzo[b]thiophene-1,1-dioxide derivatives as novel inhibitors of hepatitis C virus NS5B polymerase. Bioorg Med Chem Lett, Volume 18 (14), 2008";ChEMBL
Atenolol;MM00078;CC(C)NCC(O)COc1ccc(CC(N)=O)cc1;METKIMKYRPQLGS-GFCCVEGCSA-N;266.34;0.45;2249;DB00335;;CHEMBL24;CACO;ECACO;25;0;"<a href=https://www.ebi.ac.uk/chembl/assay_report_card/CHEMBL983545/  target=_blank>CHEMBL983545</a>";;;;;;;;;-6.52;;;;;;;;;;;;"Dragovich PS, Blazel JK, Ellis DA, Han Q, Kamran R, Kissinger CR, LeBrun LA, Li LS, Murphy DE, Noble M, Patel RA, Ruebsam F, Sergeeva MV, Shah AM, Showalter RE, Tran CV, Tsan M, Webber SE, Kirkovsky L, Zhou Y.: Novel HCV NS5B polymerase inhibitors derived from 4-(1',1'-dioxo-1',4'-dihydro-1'lambda(6)-benzo[1',2',4']thiadiazin-3'-yl)-5-hydroxy-2H-pyridazin-3-ones. Part 5: Exploration of pyridazinones containing 6-amino-substituents. Bioorg Med Chem Lett, Volume 18 (20), 2008";ChEMBL
Atenolol;MM00078;CC(C)NCC(O)COc1ccc(CC(N)=O)cc1;METKIMKYRPQLGS-GFCCVEGCSA-N;266.34;0.45;2249;DB00335;;CHEMBL24;CACO;ECACO;25;0;"<a href=https://www.ebi.ac.uk/chembl/assay_report_card/CHEMBL859786/  target=_blank>CHEMBL859786</a>";;;;;;;;;-7;;;;;;;;;;;;"Voets M, Antes I, Scherer C, Müller-Vieira U, Biemel K, Marchais-Oberwinkler S, Hartmann RW.: Synthesis and evaluation of heteroaryl-substituted dihydronaphthalenes and indenes: potent and selective inhibitors of aldosterone synthase (CYP11B2) for the treatment of congestive heart failure and myocardial fibrosis. J Med Chem, Volume 49 (7), 2006";ChEMBL
Atenolol;MM00078;CC(C)NCC(O)COc1ccc(CC(N)=O)cc1;METKIMKYRPQLGS-GFCCVEGCSA-N;266.34;0.45;2249;DB00335;;CHEMBL24;CACO;ECACO;25;0;"<a href=https://www.ebi.ac.uk/chembl/assay_report_card/CHEMBL932308/  target=_blank>CHEMBL932308</a>";;;;;;;;;-5.07;;;;;;;;;;;;"Hess S, Linde Y, Ovadia O, Safrai E, Shalev DE, Swed A, Halbfinger E, Lapidot T, Winkler I, Gabinet Y, Faier A, Yarden D, Xiang Z, Portillo FP, Haskell-Luevano C, Gilon C, Hoffman A.: Backbone cyclic peptidomimetic melanocortin-4 receptor agonist as a novel orally administrated drug lead for treating obesity. J Med Chem, Volume 51 (4), 2008";ChEMBL
Atenolol;MM00078;CC(C)NCC(O)COc1ccc(CC(N)=O)cc1;METKIMKYRPQLGS-GFCCVEGCSA-N;266.34;0.45;2249;DB00335;;CHEMBL24;CACO;ECACO;25;0;"<a href=https://www.ebi.ac.uk/chembl/assay_report_card/CHEMBL1032443/  target=_blank>CHEMBL1032443</a>";;;;;;;;;-7;;;;;;;;;;;;"Bey E, Marchais-Oberwinkler S, Werth R, Negri M, Al-Soud YA, Kruchten P, Oster A, Frotscher M, Birk B, Hartmann RW.: Design, synthesis, biological evaluation and pharmacokinetics of bis(hydroxyphenyl) substituted azoles, thiophenes, benzenes, and aza-benzenes as potent and selective nonsteroidal inhibitors of 17beta-hydroxysteroid dehydrogenase type 1 (17beta-HSD1). J Med Chem, Volume 51 (21), 2008";ChEMBL
MM475504;MM475504;Cc1ccc(N2CCN(C(=O)C(C)Cc3ccc(Cl)cc3)CC2)c(C(NC(=O)CCN)C(C)C)c1;;499.1;4.34;23635237;;;CHEMBL240364;CACO;ECACO;25;0;"<a href=https://www.ebi.ac.uk/chembl/assay_report_card/CHEMBL963797/  target=_blank>CHEMBL963797</a>";;;;;;;;;-5.52;;;;;;;;;;;;"Chen C, Tucci FC, Jiang W, Tran JA, Fleck BA, Hoare SR, Wen J, Chen T, Johns M, Markison S, Foster AC, Marinkovic D, Chen CW, Arellano M, Harman J, Saunders J, Bozigian H, Marks D.: Pharmacological and pharmacokinetic characterization of 2-piperazine-alpha-isopropyl benzylamine derivatives as melanocortin-4 receptor antagonists. Bioorg Med Chem, Volume 16 (10), 2008";ChEMBL
MM475504;MM475504;Cc1ccc(N2CCN(C(=O)C(C)Cc3ccc(Cl)cc3)CC2)c(C(NC(=O)CCN)C(C)C)c1;;499.1;4.34;23635237;;;CHEMBL240364;CACO;ECACO;25;0;"<a href=https://www.ebi.ac.uk/chembl/assay_report_card/CHEMBL900805/  target=_blank>CHEMBL900805</a>";;;;;;;;;-6.52;;;;;;;;;;;;"Chen C, Jiang W, Tucci F, Tran JA, Fleck BA, Hoare SR, Joppa M, Markison S, Wen J, Sai Y, Johns M, Madan A, Chen T, Chen CW, Marinkovic D, Arellano M, Saunders J, Foster AC.: Discovery of 1-[2-[(1S)-(3-dimethylaminopropionyl)amino-2-methylpropyl]-4-methylphenyl]-4-[(2R)-methyl-3-(4-chlorophenyl)-propionyl]piperazine as an orally active antagonist of the melanocortin-4 receptor for the potential treatment of cachexia. J Med Chem, Volume 50 (22), 2007";ChEMBL
MM475506;MM475506;CNCCNC(c1cc(C)ccc1N1CCN(C(=O)C(C)Cc2ccc(Cl)cc2F)CC1)C(C)C;;503.11;4.82;23635106;;;CHEMBL240568;CACO;ECACO;25;0;"<a href=https://www.ebi.ac.uk/chembl/assay_report_card/CHEMBL963797/  target=_blank>CHEMBL963797</a>";;;;;;;;;-5.52;;;;;;;;;;;;"Chen C, Tucci FC, Jiang W, Tran JA, Fleck BA, Hoare SR, Wen J, Chen T, Johns M, Markison S, Foster AC, Marinkovic D, Chen CW, Arellano M, Harman J, Saunders J, Bozigian H, Marks D.: Pharmacological and pharmacokinetic characterization of 2-piperazine-alpha-isopropyl benzylamine derivatives as melanocortin-4 receptor antagonists. Bioorg Med Chem, Volume 16 (10), 2008";ChEMBL
MM475506;MM475506;CNCCNC(c1cc(C)ccc1N1CCN(C(=O)C(C)Cc2ccc(Cl)cc2F)CC1)C(C)C;;503.11;4.82;23635106;;;CHEMBL240568;CACO;ECACO;25;0;"<a href=https://www.ebi.ac.uk/chembl/assay_report_card/CHEMBL900805/  target=_blank>CHEMBL900805</a>";;;;;;;;;-6.52;;;;;;;;;;;;"Chen C, Jiang W, Tucci F, Tran JA, Fleck BA, Hoare SR, Joppa M, Markison S, Wen J, Sai Y, Johns M, Madan A, Chen T, Chen CW, Marinkovic D, Arellano M, Saunders J, Foster AC.: Discovery of 1-[2-[(1S)-(3-dimethylaminopropionyl)amino-2-methylpropyl]-4-methylphenyl]-4-[(2R)-methyl-3-(4-chlorophenyl)-propionyl]piperazine as an orally active antagonist of the melanocortin-4 receptor for the potential treatment of cachexia. J Med Chem, Volume 50 (22), 2007";ChEMBL
MM475507;MM475507;CNCC(=O)NC(c1cc(C)ccc1N1CCN(C(=O)C(C)Cc2ccc(Cl)cc2F)CC1)C(C)C;;517.09;4.35;23635107;;;CHEMBL240571;CACO;ECACO;25;0;"<a href=https://www.ebi.ac.uk/chembl/assay_report_card/CHEMBL963797/  target=_blank>CHEMBL963797</a>";;;;;;;;;-5.1;;;;;;;;;;;;"Chen C, Tucci FC, Jiang W, Tran JA, Fleck BA, Hoare SR, Wen J, Chen T, Johns M, Markison S, Foster AC, Marinkovic D, Chen CW, Arellano M, Harman J, Saunders J, Bozigian H, Marks D.: Pharmacological and pharmacokinetic characterization of 2-piperazine-alpha-isopropyl benzylamine derivatives as melanocortin-4 receptor antagonists. Bioorg Med Chem, Volume 16 (10), 2008";ChEMBL
MM475507;MM475507;CNCC(=O)NC(c1cc(C)ccc1N1CCN(C(=O)C(C)Cc2ccc(Cl)cc2F)CC1)C(C)C;;517.09;4.35;23635107;;;CHEMBL240571;CACO;ECACO;25;0;"<a href=https://www.ebi.ac.uk/chembl/assay_report_card/CHEMBL900805/  target=_blank>CHEMBL900805</a>";;;;;;;;;-6.1;;;;;;;;;;;;"Chen C, Jiang W, Tucci F, Tran JA, Fleck BA, Hoare SR, Joppa M, Markison S, Wen J, Sai Y, Johns M, Madan A, Chen T, Chen CW, Marinkovic D, Arellano M, Saunders J, Foster AC.: Discovery of 1-[2-[(1S)-(3-dimethylaminopropionyl)amino-2-methylpropyl]-4-methylphenyl]-4-[(2R)-methyl-3-(4-chlorophenyl)-propionyl]piperazine as an orally active antagonist of the melanocortin-4 receptor for the potential treatment of cachexia. J Med Chem, Volume 50 (22), 2007";ChEMBL
MM475508;MM475508;Cc1ccc(N2CCN(C(=O)C(C)Cc3ccc(Cl)cc3C)CC2)c(C(NC(=O)CCN(C)C)C(C)C)c1;;541.18;5.25;23635109;;;CHEMBL240572;CACO;ECACO;25;0;"<a href=https://www.ebi.ac.uk/chembl/assay_report_card/CHEMBL963797/  target=_blank>CHEMBL963797</a>";;;;;;;;;-4.8;;;;;;;;;;;;"Chen C, Tucci FC, Jiang W, Tran JA, Fleck BA, Hoare SR, Wen J, Chen T, Johns M, Markison S, Foster AC, Marinkovic D, Chen CW, Arellano M, Harman J, Saunders J, Bozigian H, Marks D.: Pharmacological and pharmacokinetic characterization of 2-piperazine-alpha-isopropyl benzylamine derivatives as melanocortin-4 receptor antagonists. Bioorg Med Chem, Volume 16 (10), 2008";ChEMBL
MM475508;MM475508;Cc1ccc(N2CCN(C(=O)C(C)Cc3ccc(Cl)cc3C)CC2)c(C(NC(=O)CCN(C)C)C(C)C)c1;;541.18;5.25;23635109;;;CHEMBL240572;CACO;ECACO;25;0;"<a href=https://www.ebi.ac.uk/chembl/assay_report_card/CHEMBL900805/  target=_blank>CHEMBL900805</a>";;;;;;;;;-5.72;;;;;;;;;;;;"Chen C, Jiang W, Tucci F, Tran JA, Fleck BA, Hoare SR, Joppa M, Markison S, Wen J, Sai Y, Johns M, Madan A, Chen T, Chen CW, Marinkovic D, Arellano M, Saunders J, Foster AC.: Discovery of 1-[2-[(1S)-(3-dimethylaminopropionyl)amino-2-methylpropyl]-4-methylphenyl]-4-[(2R)-methyl-3-(4-chlorophenyl)-propionyl]piperazine as an orally active antagonist of the melanocortin-4 receptor for the potential treatment of cachexia. J Med Chem, Volume 50 (22), 2007";ChEMBL
MM475511;MM475511;CNCCC(=O)NC(c1cc(C)ccc1N1CCN(C(=O)C(C)Cc2ccc(Cl)cc2)CC1)C(C)C;;513.13;4.6;23635236;;;CHEMBL240780;CACO;ECACO;25;0;"<a href=https://www.ebi.ac.uk/chembl/assay_report_card/CHEMBL963797/  target=_blank>CHEMBL963797</a>";;;;;;;;;-4.92;;;;;;;;;;;;"Chen C, Tucci FC, Jiang W, Tran JA, Fleck BA, Hoare SR, Wen J, Chen T, Johns M, Markison S, Foster AC, Marinkovic D, Chen CW, Arellano M, Harman J, Saunders J, Bozigian H, Marks D.: Pharmacological and pharmacokinetic characterization of 2-piperazine-alpha-isopropyl benzylamine derivatives as melanocortin-4 receptor antagonists. Bioorg Med Chem, Volume 16 (10), 2008";ChEMBL
MM475511;MM475511;CNCCC(=O)NC(c1cc(C)ccc1N1CCN(C(=O)C(C)Cc2ccc(Cl)cc2)CC1)C(C)C;;513.13;4.6;23635236;;;CHEMBL240780;CACO;ECACO;25;0;"<a href=https://www.ebi.ac.uk/chembl/assay_report_card/CHEMBL900805/  target=_blank>CHEMBL900805</a>";;;;;;;;;-5.92;;;;;;;;;;;;"Chen C, Jiang W, Tucci F, Tran JA, Fleck BA, Hoare SR, Joppa M, Markison S, Wen J, Sai Y, Johns M, Madan A, Chen T, Chen CW, Marinkovic D, Arellano M, Saunders J, Foster AC.: Discovery of 1-[2-[(1S)-(3-dimethylaminopropionyl)amino-2-methylpropyl]-4-methylphenyl]-4-[(2R)-methyl-3-(4-chlorophenyl)-propionyl]piperazine as an orally active antagonist of the melanocortin-4 receptor for the potential treatment of cachexia. J Med Chem, Volume 50 (22), 2007";ChEMBL
MM475522;MM475522;O=C(NC1(C(=O)NC(Cc2ccccc2)C(=O)NCCCN2CCOCC2)CCCC1)c1cc2ccccc2s1;;562.74;3.51;10281234;;;CHEMBL242631;CACO;ECACO;25;0;"<a href=https://www.ebi.ac.uk/chembl/assay_report_card/CHEMBL897702/  target=_blank>CHEMBL897702</a>";;;;;;;;;-5.05;;;;;;;;;;;;"Sisto A, Altamura M, Cardinali F, D'Andrea P, Rossi C, Fattori D.: alpha,alpha-Cyclic aminoacids as useful scaffolds for the preparation of hNK(2) receptor antagonists. Bioorg Med Chem Lett, Volume 17 (17), 2007";ChEMBL
MM475523;MM475523;CC(C)(O)CCCn1c(Cn2c(=O)n(C3CC3)c3ccncc32)nc2ccccc21;DLEVUSWAQFQDQE-UHFFFAOYSA-N;405.5;3.48;;;;;CACO;ECACO;25;0;"<a href=https://www.ebi.ac.uk/chembl/assay_report_card/CHEMBL891578/  target=_blank>CHEMBL891578</a>";;;;;;;;;-4.84;;;;;;;;;;;;"Yu KL, Sin N, Civiello RL, Wang XA, Combrink KD, Gulgeze HB, Venables BL, Wright JJ, Dalterio RA, Zadjura L, Marino A, Dando S, D'Arienzo C, Kadow KF, Cianci CW, Li Z, Clarke J, Genovesi EV, Medina I, Lamb L, Colonno RJ, Yang Z, Krystal M, Meanwell NA.: Respiratory syncytial virus fusion inhibitors. Part 4: optimization for oral bioavailability. Bioorg Med Chem Lett, Volume 17 (4), 2007";ChEMBL
MM475524;MM475524;O=c1n(Cc2nc3ccccc3n2CCC2(O)CC2)c2cnccc2n1C1CC1;KACANZKCEBVPSW-UHFFFAOYSA-N;389.46;2.85;;;;;CACO;ECACO;25;0;"<a href=https://www.ebi.ac.uk/chembl/assay_report_card/CHEMBL891578/  target=_blank>CHEMBL891578</a>";;;;;;;;;-4.86;;;;;;;;;;;;"Yu KL, Sin N, Civiello RL, Wang XA, Combrink KD, Gulgeze HB, Venables BL, Wright JJ, Dalterio RA, Zadjura L, Marino A, Dando S, D'Arienzo C, Kadow KF, Cianci CW, Li Z, Clarke J, Genovesi EV, Medina I, Lamb L, Colonno RJ, Yang Z, Krystal M, Meanwell NA.: Respiratory syncytial virus fusion inhibitors. Part 4: optimization for oral bioavailability. Bioorg Med Chem Lett, Volume 17 (4), 2007";ChEMBL
MM475525;MM475525;CS(=O)(=O)CCCn1c(Cn2c(=O)n(CC(F)(F)F)c3ccncc32)nc2ccccc21;KXNQOQBSLQCPNF-UHFFFAOYSA-N;467.47;2.59;;;;;CACO;ECACO;25;0;"<a href=https://www.ebi.ac.uk/chembl/assay_report_card/CHEMBL891578/  target=_blank>CHEMBL891578</a>";;;;;;;;;-5.44;;;;;;;;;;;;"Yu KL, Sin N, Civiello RL, Wang XA, Combrink KD, Gulgeze HB, Venables BL, Wright JJ, Dalterio RA, Zadjura L, Marino A, Dando S, D'Arienzo C, Kadow KF, Cianci CW, Li Z, Clarke J, Genovesi EV, Medina I, Lamb L, Colonno RJ, Yang Z, Krystal M, Meanwell NA.: Respiratory syncytial virus fusion inhibitors. Part 4: optimization for oral bioavailability. Bioorg Med Chem Lett, Volume 17 (4), 2007";ChEMBL
MM475526;MM475526;CCS(=O)(=O)CCCn1c(Cn2c(=O)n(CC(F)(F)F)c3ccncc32)nc2ccccc21;PVHYQHOKILNVBA-UHFFFAOYSA-N;481.5;2.98;;;;;CACO;ECACO;25;0;"<a href=https://www.ebi.ac.uk/chembl/assay_report_card/CHEMBL891578/  target=_blank>CHEMBL891578</a>";;;;;;;;;-5.04;;;;;;;;;;;;"Yu KL, Sin N, Civiello RL, Wang XA, Combrink KD, Gulgeze HB, Venables BL, Wright JJ, Dalterio RA, Zadjura L, Marino A, Dando S, D'Arienzo C, Kadow KF, Cianci CW, Li Z, Clarke J, Genovesi EV, Medina I, Lamb L, Colonno RJ, Yang Z, Krystal M, Meanwell NA.: Respiratory syncytial virus fusion inhibitors. Part 4: optimization for oral bioavailability. Bioorg Med Chem Lett, Volume 17 (4), 2007";ChEMBL
MM475530;MM475530;O=c1n(Cc2nc3ccccc3n2CCCO)c2cnccc2n1C1CC1;ANQAHRBJLMNFAK-UHFFFAOYSA-N;363.42;2.31;;;;;CACO;ECACO;25;0;"<a href=https://www.ebi.ac.uk/chembl/assay_report_card/CHEMBL891578/  target=_blank>CHEMBL891578</a>";;;;;;;;;-4.94;;;;;;;;;;;;"Yu KL, Sin N, Civiello RL, Wang XA, Combrink KD, Gulgeze HB, Venables BL, Wright JJ, Dalterio RA, Zadjura L, Marino A, Dando S, D'Arienzo C, Kadow KF, Cianci CW, Li Z, Clarke J, Genovesi EV, Medina I, Lamb L, Colonno RJ, Yang Z, Krystal M, Meanwell NA.: Respiratory syncytial virus fusion inhibitors. Part 4: optimization for oral bioavailability. Bioorg Med Chem Lett, Volume 17 (4), 2007";ChEMBL
MM475531;MM475531;O=c1n(Cc2nc3ccccc3n2CCCCO)c2cnccc2n1C1CCC1;LYXGPAISSWDLNQ-UHFFFAOYSA-N;391.48;3.09;;;;;CACO;ECACO;25;0;"<a href=https://www.ebi.ac.uk/chembl/assay_report_card/CHEMBL891578/  target=_blank>CHEMBL891578</a>";;;;;;;;;-4.79;;;;;;;;;;;;"Yu KL, Sin N, Civiello RL, Wang XA, Combrink KD, Gulgeze HB, Venables BL, Wright JJ, Dalterio RA, Zadjura L, Marino A, Dando S, D'Arienzo C, Kadow KF, Cianci CW, Li Z, Clarke J, Genovesi EV, Medina I, Lamb L, Colonno RJ, Yang Z, Krystal M, Meanwell NA.: Respiratory syncytial virus fusion inhibitors. Part 4: optimization for oral bioavailability. Bioorg Med Chem Lett, Volume 17 (4), 2007";ChEMBL
MM475532;MM475532;O=c1n(Cc2nc3ccccc3n2CCCCO)c2cnccc2n1C1CCCC1;ZUVAIGTVAGNNNK-UHFFFAOYSA-N;405.5;3.48;;;;;CACO;ECACO;25;0;"<a href=https://www.ebi.ac.uk/chembl/assay_report_card/CHEMBL891578/  target=_blank>CHEMBL891578</a>";;;;;;;;;-4.8;;;;;;;;;;;;"Yu KL, Sin N, Civiello RL, Wang XA, Combrink KD, Gulgeze HB, Venables BL, Wright JJ, Dalterio RA, Zadjura L, Marino A, Dando S, D'Arienzo C, Kadow KF, Cianci CW, Li Z, Clarke J, Genovesi EV, Medina I, Lamb L, Colonno RJ, Yang Z, Krystal M, Meanwell NA.: Respiratory syncytial virus fusion inhibitors. Part 4: optimization for oral bioavailability. Bioorg Med Chem Lett, Volume 17 (4), 2007";ChEMBL
MM475542;MM475542;Cc1noc(NS(=O)(=O)c2ccccc2-c2ccc(-c3ncco3)cc2)c1C;LJGUZUROJOJEMI-UHFFFAOYSA-N;395.44;4.41;;;;;CACO;ECACO;25;0;"<a href=https://www.ebi.ac.uk/chembl/assay_report_card/CHEMBL638025/  target=_blank>CHEMBL638025</a>";;;;;;;;;-4.67;;;;;;;;;;;;"Murugesan N, Gu Z, Spergel S, Young M, Chen P, Mathur A, Leith L, Hermsmeier M, Liu EC, Zhang R, Bird E, Waldron T, Marino A, Koplowitz B, Humphreys WG, Chong S, Morrison RA, Webb ML, Moreland S, Trippodo N, Barrish JC.: Biphenylsulfonamide endothelin receptor antagonists. 4. Discovery of N-[[2'-[[(4,5-dimethyl-3-isoxazolyl)amino]sulfonyl]-4-(2-oxazolyl)[1,1'-biphenyl]- 2-yl]methyl]-N,3,3-trimethylbutanamide (BMS-207940), a highly potent and orally active ET(A) selective antagonist. J Med Chem, Volume 46 (1), 2003";ChEMBL
MM475553;MM475553;O=C1CC(c2ccc(CC(Nc3nc4cc(F)ccc4s3)c3nc4ccccc4[nH]3)cc2)S(=O)(=O)N1;RXIGWQFBIHOUIE-AIBWNMTMSA-N;521.6;4.6;23646687;;;CHEMBL246036;CACO;ECACO;25;0;"<a href=https://www.ebi.ac.uk/chembl/assay_report_card/CHEMBL902513/  target=_blank>CHEMBL902513</a>";;;;;;;;;-5.89;;;;;;;;;;;;"Sparks RB, Polam P, Zhu W, Crawley ML, Takvorian A, McLaughlin E, Wei M, Ala PJ, Gonneville L, Taylor N, Li Y, Wynn R, Burn TC, Liu PC, Combs AP.: Benzothiazole benzimidazole (S)-isothiazolidinone derivatives as protein tyrosine phosphatase-1B inhibitors. Bioorg Med Chem Lett, Volume 17 (3), 2007";ChEMBL
MM475554;MM475554;O=C1CC(c2ccc(CC(Nc3nc4c(F)cccc4s3)c3nc4ccccc4[nH]3)cc2)S(=O)(=O)N1;YVHGLSYFEGTDEN-ZQRQZVKFSA-N;521.6;4.6;23646688;;;CHEMBL246038;CACO;ECACO;25;0;"<a href=https://www.ebi.ac.uk/chembl/assay_report_card/CHEMBL902513/  target=_blank>CHEMBL902513</a>";;;;;;;;;-5.77;;;;;;;;;;;;"Sparks RB, Polam P, Zhu W, Crawley ML, Takvorian A, McLaughlin E, Wei M, Ala PJ, Gonneville L, Taylor N, Li Y, Wynn R, Burn TC, Liu PC, Combs AP.: Benzothiazole benzimidazole (S)-isothiazolidinone derivatives as protein tyrosine phosphatase-1B inhibitors. Bioorg Med Chem Lett, Volume 17 (3), 2007";ChEMBL
MM475555;MM475555;O=C1Nc2c(C(F)(F)F)cccc2C1(c1ccc(O)cc1)c1ccc(O)cc1;DOGXFLMCFMBBGH-UHFFFAOYSA-N;385.34;4.4;17748232;;;CHEMBL246052;CACO;ECACO;25;0;"<a href=https://www.ebi.ac.uk/chembl/assay_report_card/CHEMBL887163/  target=_blank>CHEMBL887163</a>";;;;;;;;;-5.71;;;;;;;;;;;;"Uddin MK, Reignier SG, Coulter T, Montalbetti C, Grånäs C, Butcher S, Krog-Jensen C, Felding J.: Syntheses and antiproliferative evaluation of oxyphenisatin derivatives. Bioorg Med Chem Lett, Volume 17 (10), 2007";ChEMBL
MM475558;MM475558;O=C1CC(c2ccc(CC(Nc3nc4ccc(Cl)cc4s3)c3nc4ccccc4[nH]3)cc2)S(=O)(=O)N1;CXAHPKZMCKBDTC-AIBWNMTMSA-N;538.05;5.11;23646689;;;CHEMBL246247;CACO;ECACO;25;0;"<a href=https://www.ebi.ac.uk/chembl/assay_report_card/CHEMBL902513/  target=_blank>CHEMBL902513</a>";;;;;;;;;-6.1;;;;;;;;;;;;"Sparks RB, Polam P, Zhu W, Crawley ML, Takvorian A, McLaughlin E, Wei M, Ala PJ, Gonneville L, Taylor N, Li Y, Wynn R, Burn TC, Liu PC, Combs AP.: Benzothiazole benzimidazole (S)-isothiazolidinone derivatives as protein tyrosine phosphatase-1B inhibitors. Bioorg Med Chem Lett, Volume 17 (3), 2007";ChEMBL
MM475559;MM475559;Fc1cccc(Cn2ncc3cc(Nc4ncnn5ccc(COCC6CNCCO6)c45)ccc32)c1;UEJUKJJOSDYORR-QHCPKHFHSA-N;487.54;3.52;10217590;;;CHEMBL246284;CACO;ECACO;25;0;"<a href=https://www.ebi.ac.uk/chembl/assay_report_card/CHEMBL903513/  target=_blank>CHEMBL903513</a>";;;;;;;;;-5.19;;;;;;;;;;;;"Mastalerz H, Chang M, Chen P, Dextraze P, Fink BE, Gavai A, Goyal B, Han WC, Johnson W, Langley D, Lee FY, Marathe P, Mathur A, Oppenheimer S, Ruediger E, Tarrant J, Tokarski JS, Vite GD, Vyas DM, Wong H, Wong TW, Zhang H, Zhang G.: New C-5 substituted pyrrolotriazine dual inhibitors of EGFR and HER2 protein tyrosine kinases. Bioorg Med Chem Lett, Volume 17 (7), 2007";ChEMBL
MM475560;MM475560;O=C1CC(c2ccc(CC(Nc3nc4cc(Cl)ccc4s3)c3nc4ccccc4[nH]3)cc2)S(=O)(=O)N1;VZQJVBJXVZHFSN-AIBWNMTMSA-N;538.05;5.11;23646690;;;CHEMBL246452;CACO;ECACO;25;0;"<a href=https://www.ebi.ac.uk/chembl/assay_report_card/CHEMBL902513/  target=_blank>CHEMBL902513</a>";;;;;;;;;-6.1;;;;;;;;;;;;"Sparks RB, Polam P, Zhu W, Crawley ML, Takvorian A, McLaughlin E, Wei M, Ala PJ, Gonneville L, Taylor N, Li Y, Wynn R, Burn TC, Liu PC, Combs AP.: Benzothiazole benzimidazole (S)-isothiazolidinone derivatives as protein tyrosine phosphatase-1B inhibitors. Bioorg Med Chem Lett, Volume 17 (3), 2007";ChEMBL
MM475562;MM475562;COc1ccc2nc(NC(Cc3ccc(C4CC(=O)NS4(=O)=O)cc3)c3nc4ccccc4[nH]3)sc2c1;AGLPLQLLRCCZOB-BBQAJUCSSA-N;533.64;4.47;23646692;;;CHEMBL246659;CACO;ECACO;25;0;"<a href=https://www.ebi.ac.uk/chembl/assay_report_card/CHEMBL902513/  target=_blank>CHEMBL902513</a>";;;;;;;;;-6.3;;;;;;;;;;;;"Sparks RB, Polam P, Zhu W, Crawley ML, Takvorian A, McLaughlin E, Wei M, Ala PJ, Gonneville L, Taylor N, Li Y, Wynn R, Burn TC, Liu PC, Combs AP.: Benzothiazole benzimidazole (S)-isothiazolidinone derivatives as protein tyrosine phosphatase-1B inhibitors. Bioorg Med Chem Lett, Volume 17 (3), 2007";ChEMBL
MM475563;MM475563;Nc1noc2ccc(-n3nc(C(F)(F)F)cc3C(=O)NC3CCN(c4ccccc4CN4CCCC4)CC3)cc12;PSPGVVDGXOYNRQ-UHFFFAOYSA-N;553.59;4.61;23648147;;;CHEMBL246738;CACO;ECACO;25;0;"<a href=https://www.ebi.ac.uk/chembl/assay_report_card/CHEMBL885807/  target=_blank>CHEMBL885807</a>";;;;;;;;;-5.89;;;;;;;;;;;;"Qiao JX, Cheng X, Smallheer JM, Galemmo RA, Drummond S, Pinto DJ, Cheney DL, He K, Wong PC, Luettgen JM, Knabb RM, Wexler RR, Lam PY.: Pyrazole-based factor Xa inhibitors containing N-arylpiperidinyl P4 residues. Bioorg Med Chem Lett, Volume 17 (5), 2007";ChEMBL
MM475565;MM475565;O=C1CC(c2ccc(CC(Nc3nc4ccc(Br)cc4s3)c3nc4ccccc4[nH]3)cc2)S(=O)(=O)N1;VBHAFECWGPNXGH-AIBWNMTMSA-N;582.51;5.22;23646696;;;CHEMBL246869;CACO;ECACO;25;0;"<a href=https://www.ebi.ac.uk/chembl/assay_report_card/CHEMBL902513/  target=_blank>CHEMBL902513</a>";;;;;;;;;-6.7;;;;;;;;;;;;"Sparks RB, Polam P, Zhu W, Crawley ML, Takvorian A, McLaughlin E, Wei M, Ala PJ, Gonneville L, Taylor N, Li Y, Wynn R, Burn TC, Liu PC, Combs AP.: Benzothiazole benzimidazole (S)-isothiazolidinone derivatives as protein tyrosine phosphatase-1B inhibitors. Bioorg Med Chem Lett, Volume 17 (3), 2007";ChEMBL
MM475566;MM475566;CCN(C)Cc1ccccc1N1CCC(NC(=O)c2cc(C(F)(F)F)nn2-c2ccc3onc(N)c3c2)CC1;AKDHCBCCGAELNG-UHFFFAOYSA-N;541.58;4.47;23648150;;;CHEMBL246945;CACO;ECACO;25;0;"<a href=https://www.ebi.ac.uk/chembl/assay_report_card/CHEMBL885807/  target=_blank>CHEMBL885807</a>";;;;;;;;;-5.57;;;;;;;;;;;;"Qiao JX, Cheng X, Smallheer JM, Galemmo RA, Drummond S, Pinto DJ, Cheney DL, He K, Wong PC, Luettgen JM, Knabb RM, Wexler RR, Lam PY.: Pyrazole-based factor Xa inhibitors containing N-arylpiperidinyl P4 residues. Bioorg Med Chem Lett, Volume 17 (5), 2007";ChEMBL
MM475570;MM475570;O=C1CC(c2ccc(CC(Nc3nc4ccccc4s3)c3nc4ccc(C(F)(F)F)cc4[nH]3)cc2)S(=O)(=O)N1;FHGPNSZZDVEKMB-AIBWNMTMSA-N;571.61;5.48;23646699;;;CHEMBL247074;CACO;ECACO;25;0;"<a href=https://www.ebi.ac.uk/chembl/assay_report_card/CHEMBL902513/  target=_blank>CHEMBL902513</a>";;;;;;;;;-6.4;;;;;;;;;;;;"Sparks RB, Polam P, Zhu W, Crawley ML, Takvorian A, McLaughlin E, Wei M, Ala PJ, Gonneville L, Taylor N, Li Y, Wynn R, Burn TC, Liu PC, Combs AP.: Benzothiazole benzimidazole (S)-isothiazolidinone derivatives as protein tyrosine phosphatase-1B inhibitors. Bioorg Med Chem Lett, Volume 17 (3), 2007";ChEMBL
MM475571;MM475571;O=C1CC(c2ccc(CC(Nc3nc4ccccc4s3)c3nc4ccccc4[nH]3)cc2F)S(=O)(=O)N1;WPUFGGKRENZYJA-AIBWNMTMSA-N;521.6;4.6;16659198;;;CHEMBL247075;CACO;ECACO;25;0;"<a href=https://www.ebi.ac.uk/chembl/assay_report_card/CHEMBL902513/  target=_blank>CHEMBL902513</a>";;;;;;;;;-6.1;;;;;;;;;;;;"Sparks RB, Polam P, Zhu W, Crawley ML, Takvorian A, McLaughlin E, Wei M, Ala PJ, Gonneville L, Taylor N, Li Y, Wynn R, Burn TC, Liu PC, Combs AP.: Benzothiazole benzimidazole (S)-isothiazolidinone derivatives as protein tyrosine phosphatase-1B inhibitors. Bioorg Med Chem Lett, Volume 17 (3), 2007";ChEMBL
MM475573;MM475573;Cc1cc(CC(Nc2nc3ccccc3s2)c2nc3ccccc3[nH]2)ccc1C1CC(=O)NS1(=O)=O;LJCMOUXWPZKLJE-BBQAJUCSSA-N;517.64;4.77;23646705;;;CHEMBL247278;CACO;ECACO;25;0;"<a href=https://www.ebi.ac.uk/chembl/assay_report_card/CHEMBL902513/  target=_blank>CHEMBL902513</a>";;;;;;;;;-6.3;;;;;;;;;;;;"Sparks RB, Polam P, Zhu W, Crawley ML, Takvorian A, McLaughlin E, Wei M, Ala PJ, Gonneville L, Taylor N, Li Y, Wynn R, Burn TC, Liu PC, Combs AP.: Benzothiazole benzimidazole (S)-isothiazolidinone derivatives as protein tyrosine phosphatase-1B inhibitors. Bioorg Med Chem Lett, Volume 17 (3), 2007";ChEMBL
MM475575;MM475575;O=C1Nc2c(ccc(F)c2F)C1(c1ccc(O)cc1)c1ccc(O)cc1;SIWQFOKGDOBJQD-UHFFFAOYSA-N;353.32;3.66;44438778;;;CHEMBL247496;CACO;ECACO;25;0;"<a href=https://www.ebi.ac.uk/chembl/assay_report_card/CHEMBL887163/  target=_blank>CHEMBL887163</a>";;;;;;;;;-5.37;;;;;;;;;;;;"Uddin MK, Reignier SG, Coulter T, Montalbetti C, Grånäs C, Butcher S, Krog-Jensen C, Felding J.: Syntheses and antiproliferative evaluation of oxyphenisatin derivatives. Bioorg Med Chem Lett, Volume 17 (10), 2007";ChEMBL
MM475577;MM475577;Cc1cc(CC(NS(=O)(=O)c2ccccc2)c2nc3ccccc3[nH]2)ccc1C1CC(=O)NS1(=O)=O;;524.62;3.02;11226572;;;CHEMBL248291;CACO;ECACO;25;0;"<a href=https://www.ebi.ac.uk/chembl/assay_report_card/CHEMBL902513/  target=_blank>CHEMBL902513</a>";;;;;;;;;-6.4;;;;;;;;;;;;"Sparks RB, Polam P, Zhu W, Crawley ML, Takvorian A, McLaughlin E, Wei M, Ala PJ, Gonneville L, Taylor N, Li Y, Wynn R, Burn TC, Liu PC, Combs AP.: Benzothiazole benzimidazole (S)-isothiazolidinone derivatives as protein tyrosine phosphatase-1B inhibitors. Bioorg Med Chem Lett, Volume 17 (3), 2007";ChEMBL
MM475577;MM475577;Cc1cc(CC(NS(=O)(=O)c2ccccc2)c2nc3ccccc3[nH]2)ccc1C1CC(=O)NS1(=O)=O;;524.62;3.02;11226572;;;CHEMBL248291;CACO;ECACO;25;0;"<a href=https://www.ebi.ac.uk/chembl/assay_report_card/CHEMBL1071700/  target=_blank>CHEMBL1071700</a>";;;;;;;;;-6.4;;;;;;;;;;;;"Combs AP.: Recent advances in the discovery of competitive protein tyrosine phosphatase 1B inhibitors for the treatment of diabetes, obesity, and cancer. J Med Chem, Volume 53 (6), 2010";ChEMBL
MM475586;MM475586;CC(=O)c1sc(NC(=O)NC2CN(C(C)=O)CCC2CN2CCCC(Cc3ccc(F)cc3)C2)nc1C;ZFRLEPMXXGKKBN-WPFOTENUSA-N;529.68;4.11;11953409;;;CHEMBL249854;CACO;ECACO;25;0;"<a href=https://www.ebi.ac.uk/chembl/assay_report_card/CHEMBL926177/  target=_blank>CHEMBL926177</a>";;;;;;;;;-5.55;;;;;;;;;;;;"Pruitt JR, Batt DG, Wacker DA, Bostrom LL, Booker SK, McLaughlin E, Houghton GC, Varnes JG, Christ DD, Covington M, Das AM, Davies P, Graden D, Kariv I, Orlovsky Y, Stowell NC, Vaddi KG, Wadman EA, Welch PK, Yeleswaram S, Solomon KA, Newton RC, Decicco CP, Carter PH, Ko SS.: CC chemokine receptor-3 (CCR3) antagonists: improving the selectivity of DPC168 by reducing central ring lipophilicity. Bioorg Med Chem Lett, Volume 17 (11), 2007";ChEMBL
"Acetylsalicylic Acid";MM00080;CC(=O)Oc1ccccc1C(=O)O;BSYNRYMUTXBXSQ-UHFFFAOYSA-N;180.16;1.31;2244;DB00945;AIN;CHEMBL25;CACO;ECACO;25;0;"<a href=https://www.ebi.ac.uk/chembl/assay_report_card/CHEMBL1074672/  target=_blank>CHEMBL1074672</a>";;;;;;;;;-5.06;;;;;;;;;;;;"Du-Cuny L, Song Z, Moses S, Powis G, Mash EA, Meuillet EJ, Zhang S.: Computational modeling of novel inhibitors targeting the Akt pleckstrin homology domain. Bioorg Med Chem, Volume 17 (19), 2009";ChEMBL
MM475587;MM475587;CN(C)Cc1ccccc1-c1ccc2c(c1)CCN2C(=O)c1cc(C(N)=O)nn1-c1ccc2onc(N)c2c1;YFVYFDBYGVJKHF-UHFFFAOYSA-N;521.58;3.63;44444415;;;CHEMBL250349;CACO;ECACO;25;0;"<a href=https://www.ebi.ac.uk/chembl/assay_report_card/CHEMBL941671/  target=_blank>CHEMBL941671</a>";;;;;;;;;-6.52;;;;;;;;;;;;"Varnes JG, Wacker DA, Jacobson IC, Quan ML, Ellis CD, Rossi KA, He MY, Luettgen JM, Knabb RM, Bai S, He K, Lam PY, Wexler RR.: Design, structure-activity relationship, and pharmacokinetic profile of pyrazole-based indoline factor Xa inhibitors. Bioorg Med Chem Lett, Volume 17 (23), 2007";ChEMBL
MM475588;MM475588;CCCN1CCOC(c2cccc(O)c2)C1;WYEGTIGJSHGEID-ZDUSSCGKSA-N;221.3;2.18;9794475;;;CHEMBL250403;CACO;ECACO;25;0;"<a href=https://www.ebi.ac.uk/chembl/assay_report_card/CHEMBL942053/  target=_blank>CHEMBL942053</a>";;;;;;;;;-4.42;;;;;;;;;;;;"Blagg J, Allerton CM, Batchelor DV, Baxter AD, Burring DJ, Carr CL, Cook AS, Nichols CL, Phipps J, Sanderson VG, Verrier H, Wong S.: Design and synthesis of a functionally selective D3 agonist and its in vivo delivery via the intranasal route. Bioorg Med Chem Lett, Volume 17 (24), 2007";ChEMBL
MM475589;MM475589;C=CCC1(O)CCC2C3CCC4=CC(=O)CCC4=C3C(c3ccc(P(=O)(c4ccccc4)c4ccccc4)cc3)CC21C;BYVDCSLCMPQTKD-LGTDJHALSA-N;588.73;7.53;44441950;;;CHEMBL250512;CACO;ECACO;25;0;"<a href=https://www.ebi.ac.uk/chembl/assay_report_card/CHEMBL903441/  target=_blank>CHEMBL903441</a>";;;;;;;;;-5.59;;;;;;;;;;;;"Jiang W, Fiordeliso JJ, Allan G, Linton O, Tannenbaum P, Xu J, Zhu P, Gunnet J, Demarest K, Lundeen S, Sui Z.: Discovery of novel phosphorus-containing steroids as selective glucocorticoid receptor antagonist. Bioorg Med Chem Lett, Volume 17 (5), 2007";ChEMBL
MM475590;MM475590;NC(=O)c1cc(C(=O)N2CCc3cc(N4CCCCC4=O)ccc32)n(-c2ccc3onc(N)c3c2)n1;ZUZGHTADXDQMQB-UHFFFAOYSA-N;485.5;2.41;10206365;;;CHEMBL250560;CACO;ECACO;25;0;"<a href=https://www.ebi.ac.uk/chembl/assay_report_card/CHEMBL941671/  target=_blank>CHEMBL941671</a>";;;;;;;;;-7;;;;;;;;;;;;"Varnes JG, Wacker DA, Jacobson IC, Quan ML, Ellis CD, Rossi KA, He MY, Luettgen JM, Knabb RM, Bai S, He K, Lam PY, Wexler RR.: Design, structure-activity relationship, and pharmacokinetic profile of pyrazole-based indoline factor Xa inhibitors. Bioorg Med Chem Lett, Volume 17 (23), 2007";ChEMBL
MM475591;MM475591;CC(=O)c1cccc(NC(=O)NC2CCCCC2CN2CCCC(Cc3ccc(F)cc3)C2)c1;;465.61;5.66;11227406;;;CHEMBL250689;CACO;ECACO;25;0;"<a href=https://www.ebi.ac.uk/chembl/assay_report_card/CHEMBL926177/  target=_blank>CHEMBL926177</a>";;;;;;;;;-4.96;;;;;;;;;;;;"Pruitt JR, Batt DG, Wacker DA, Bostrom LL, Booker SK, McLaughlin E, Houghton GC, Varnes JG, Christ DD, Covington M, Das AM, Davies P, Graden D, Kariv I, Orlovsky Y, Stowell NC, Vaddi KG, Wadman EA, Welch PK, Yeleswaram S, Solomon KA, Newton RC, Decicco CP, Carter PH, Ko SS.: CC chemokine receptor-3 (CCR3) antagonists: improving the selectivity of DPC168 by reducing central ring lipophilicity. Bioorg Med Chem Lett, Volume 17 (11), 2007";ChEMBL
MM475591;MM475591;CC(=O)c1cccc(NC(=O)NC2CCCCC2CN2CCCC(Cc3ccc(F)cc3)C2)c1;;465.61;5.66;11227406;;;CHEMBL250689;CACO;ECACO;25;0;"<a href=https://www.ebi.ac.uk/chembl/assay_report_card/CHEMBL851906/  target=_blank>CHEMBL851906</a>";;;;;;;;;-4.96;;;;;;;;;;;;"De Lucca GV, Kim UT, Vargo BJ, Duncia JV, Santella JB, Gardner DS, Zheng C, Liauw A, Wang Z, Emmett G, Wacker DA, Welch PK, Covington M, Stowell NC, Wadman EA, Das AM, Davies P, Yeleswaram S, Graden DM, Solomon KA, Newton RC, Trainor GL, Decicco CP, Ko SS.: Discovery of CC chemokine receptor-3 (CCR3) antagonists with picomolar potency. J Med Chem, Volume 48 (6), 2005";ChEMBL
MM475592;MM475592;C=CCC1(O)CCC2C3CCC4=CC(=O)CCC4=C3C(c3ccc(P(=O)(OCC)OCC)cc3)CC21C;BBQPRPRCQIFLIO-PABOLRIOSA-N;524.64;6.78;44441951;;;CHEMBL250750;CACO;ECACO;25;0;"<a href=https://www.ebi.ac.uk/chembl/assay_report_card/CHEMBL903441/  target=_blank>CHEMBL903441</a>";;;;;;;;;-4.84;;;;;;;;;;;;"Jiang W, Fiordeliso JJ, Allan G, Linton O, Tannenbaum P, Xu J, Zhu P, Gunnet J, Demarest K, Lundeen S, Sui Z.: Discovery of novel phosphorus-containing steroids as selective glucocorticoid receptor antagonist. Bioorg Med Chem Lett, Volume 17 (5), 2007";ChEMBL
MM475595;MM475595;Cc1cc(COc2ccc(C(=O)NC3CC4(CCCO4)CC3C(=O)NO)cc2)c2ccccc2n1;AZIJSGUGQIBFMD-LLGBQNBKSA-N;475.55;3.69;10140363;;;CHEMBL251994;CACO;ECACO;25;0;"<a href=https://www.ebi.ac.uk/chembl/assay_report_card/CHEMBL945137/  target=_blank>CHEMBL945137</a>";;;;;;;;;-5.82;;;;;;;;;;;;"Ott GR, Asakawa N, Liu RQ, Covington MB, Qian M, Vaddi K, Newton RC, Trzaskos JM, Christ DD, Galya L, Scholz T, Marshall W, Duan JJ.: Alpha,Beta-cyclic-beta-benzamido hydroxamic acids: Novel oxaspiro[4.4]nonane templates for the discovery of potent, selective, orally bioavailable inhibitors of tumor necrosis factor-alpha converting enzyme (TACE). Bioorg Med Chem Lett, Volume 18 (4), 2008";ChEMBL
MM475597;MM475597;Nc1noc2ccc(-n3nc(C(F)(F)F)cc3C(=O)Cc3ccc(-c4ccccc4CN4CCCC4)cc3)cc12;AALHKJFWUSBUMO-UHFFFAOYSA-N;545.57;6.3;44446648;;;CHEMBL252453;CACO;ECACO;25;0;"<a href=https://www.ebi.ac.uk/chembl/assay_report_card/CHEMBL927724/  target=_blank>CHEMBL927724</a>";;;;;;;;;-6.05;;;;;;;;;;;;"Varnes JG, Wacker DA, Pinto DJ, Orwat MJ, Theroff JP, Wells B, Galemo RA, Luettgen JM, Knabb RM, Bai S, He K, Lam PY, Wexler RR.: Structure-activity relationship and pharmacokinetic profile of 5-ketopyrazole factor Xa inhibitors. Bioorg Med Chem Lett, Volume 18 (2), 2008";ChEMBL
MM475598;MM475598;Nc1noc2ccc(-n3nc(C(F)(F)F)cc3C(=O)Cc3ccc(-n4ccccc4=O)cc3F)cc12;BEEPJZYIKKHTQJ-UHFFFAOYSA-N;497.41;4.33;11518907;;;CHEMBL252454;CACO;ECACO;25;0;"<a href=https://www.ebi.ac.uk/chembl/assay_report_card/CHEMBL927724/  target=_blank>CHEMBL927724</a>";;;;;;;;;-5.12;;;;;;;;;;;;"Varnes JG, Wacker DA, Pinto DJ, Orwat MJ, Theroff JP, Wells B, Galemo RA, Luettgen JM, Knabb RM, Bai S, He K, Lam PY, Wexler RR.: Structure-activity relationship and pharmacokinetic profile of 5-ketopyrazole factor Xa inhibitors. Bioorg Med Chem Lett, Volume 18 (2), 2008";ChEMBL
MM475604;MM475604;Cc1cc(COc2ccc(C(=O)NC3CN(C(C)(C)C)CCC3C(=O)NO)cc2)c2ccccc2n1;VMOZPKFTEJFSFL-UKILVPOCSA-N;490.6;3.85;10390866;;;CHEMBL252891;CACO;ECACO;25;0;"<a href=https://www.ebi.ac.uk/chembl/assay_report_card/CHEMBL927613/  target=_blank>CHEMBL927613</a>";;;;;;;;;-6.22;;;;;;;;;;;;"Duan JJ, Chen L, Lu Z, Xue CB, Liu RQ, Covington MB, Qian M, Wasserman ZR, Vaddi K, Christ DD, Trzaskos JM, Newton RC, Decicco CP.: Discovery of beta-benzamido hydroxamic acids as potent, selective, and orally bioavailable TACE inhibitors. Bioorg Med Chem Lett, Volume 18 (1), 2008";ChEMBL
MM475605;MM475605;Cc1cc(COc2ccc(C(=O)NC3CN(CCN(C)C)CCC3C(=O)NO)cc2)c2ccccc2n1;GPMYKOGAWSCJCE-AZGAKELHSA-N;505.62;2.61;44446359;;;CHEMBL252892;CACO;ECACO;25;0;"<a href=https://www.ebi.ac.uk/chembl/assay_report_card/CHEMBL927613/  target=_blank>CHEMBL927613</a>";;;;;;;;;-7;;;;;;;;;;;;"Duan JJ, Chen L, Lu Z, Xue CB, Liu RQ, Covington MB, Qian M, Wasserman ZR, Vaddi K, Christ DD, Trzaskos JM, Newton RC, Decicco CP.: Discovery of beta-benzamido hydroxamic acids as potent, selective, and orally bioavailable TACE inhibitors. Bioorg Med Chem Lett, Volume 18 (1), 2008";ChEMBL
MM475606;MM475606;Cc1cc(COc2ccc(C(=O)NC3CCOCC3C(=O)NO)cc2)c2ccccc2n1;RHKVTWOHZUDRRL-RBBKRZOGSA-N;435.48;2.76;10252411;;;CHEMBL252893;CACO;ECACO;25;0;"<a href=https://www.ebi.ac.uk/chembl/assay_report_card/CHEMBL927613/  target=_blank>CHEMBL927613</a>";;;;;;;;;-5.64;;;;;;;;;;;;"Duan JJ, Chen L, Lu Z, Xue CB, Liu RQ, Covington MB, Qian M, Wasserman ZR, Vaddi K, Christ DD, Trzaskos JM, Newton RC, Decicco CP.: Discovery of beta-benzamido hydroxamic acids as potent, selective, and orally bioavailable TACE inhibitors. Bioorg Med Chem Lett, Volume 18 (1), 2008";ChEMBL
MM475609;MM475609;Cc1cc(COc2ccc(C(=O)NC3COCCC3C(=O)NO)cc2)c2ccccc2n1;JGFDLAQFMZZGPG-RBBKRZOGSA-N;435.48;2.76;44446361;;;CHEMBL253088;CACO;ECACO;25;0;"<a href=https://www.ebi.ac.uk/chembl/assay_report_card/CHEMBL927613/  target=_blank>CHEMBL927613</a>";;;;;;;;;-6.4;;;;;;;;;;;;"Duan JJ, Chen L, Lu Z, Xue CB, Liu RQ, Covington MB, Qian M, Wasserman ZR, Vaddi K, Christ DD, Trzaskos JM, Newton RC, Decicco CP.: Discovery of beta-benzamido hydroxamic acids as potent, selective, and orally bioavailable TACE inhibitors. Bioorg Med Chem Lett, Volume 18 (1), 2008";ChEMBL
MM475612;MM475612;Nc1noc2ccc(-n3nc(C(F)(F)F)cc3C(=O)Cc3ccc(-c4ccccc4S(N)(=O)=O)cc3F)cc12;GBJUQIHMJNTHNS-UHFFFAOYSA-N;559.5;4.49;44446629;;;CHEMBL253297;CACO;ECACO;25;0;"<a href=https://www.ebi.ac.uk/chembl/assay_report_card/CHEMBL927724/  target=_blank>CHEMBL927724</a>";;;;;;;;;-4.51;;;;;;;;;;;;"Varnes JG, Wacker DA, Pinto DJ, Orwat MJ, Theroff JP, Wells B, Galemo RA, Luettgen JM, Knabb RM, Bai S, He K, Lam PY, Wexler RR.: Structure-activity relationship and pharmacokinetic profile of 5-ketopyrazole factor Xa inhibitors. Bioorg Med Chem Lett, Volume 18 (2), 2008";ChEMBL
MM475615;MM475615;Cc1cc(COc2ccc(C(=O)NC3CCCCC3C(=O)NO)cc2)c2ccccc2n1;HYTRMQSKFNHZJQ-JTHBVZDNSA-N;433.51;3.92;44446352;;;CHEMBL254108;CACO;ECACO;25;0;"<a href=https://www.ebi.ac.uk/chembl/assay_report_card/CHEMBL927613/  target=_blank>CHEMBL927613</a>";;;;;;;;;-5.47;;;;;;;;;;;;"Duan JJ, Chen L, Lu Z, Xue CB, Liu RQ, Covington MB, Qian M, Wasserman ZR, Vaddi K, Christ DD, Trzaskos JM, Newton RC, Decicco CP.: Discovery of beta-benzamido hydroxamic acids as potent, selective, and orally bioavailable TACE inhibitors. Bioorg Med Chem Lett, Volume 18 (1), 2008";ChEMBL
MM475616;MM475616;Cc1cc(COc2ccc(C(=O)NC3CCC3C(=O)NO)cc2)c2ccccc2n1;GCUJRHBDOOTROU-UHFFFAOYSA-N;405.45;3.14;44446355;;;CHEMBL254307;CACO;ECACO;25;0;"<a href=https://www.ebi.ac.uk/chembl/assay_report_card/CHEMBL927613/  target=_blank>CHEMBL927613</a>";;;;;;;;;-6.4;;;;;;;;;;;;"Duan JJ, Chen L, Lu Z, Xue CB, Liu RQ, Covington MB, Qian M, Wasserman ZR, Vaddi K, Christ DD, Trzaskos JM, Newton RC, Decicco CP.: Discovery of beta-benzamido hydroxamic acids as potent, selective, and orally bioavailable TACE inhibitors. Bioorg Med Chem Lett, Volume 18 (1), 2008";ChEMBL
MM475624;MM475624;COc1c(NC(=O)c2ccc(C)c(N3C=C(C(=O)NCC(C)(C)CN(C)C)NN3)c2)cc(C(C)(C)C)cc1NS(C)(=O)=O;HHUYKZMAEVYBRK-UHFFFAOYSA-N;615.8;3.3;24857813;;;CHEMBL254992;CACO;ECACO;25;0;"<a href=https://www.ebi.ac.uk/chembl/assay_report_card/CHEMBL927883/  target=_blank>CHEMBL927883</a>";;;;;;;;;-4.89;;;;;;;;;;;;"Cogan DA, Aungst R, Breinlinger EC, Fadra T, Goldberg DR, Hao MH, Kroe R, Moss N, Pargellis C, Qian KC, Swinamer AD.: Structure-based design and subsequent optimization of 2-tolyl-(1,2,3-triazol-1-yl-4-carboxamide) inhibitors of p38 MAP kinase. Bioorg Med Chem Lett, Volume 18 (11), 2008";ChEMBL
MM475629;MM475629;C=CCN(C(=O)[C@@]1(c2ccsc2)C[C@H]1CN)C1CC1;PUKHAHUSCTVYAW-SWLSCSKDSA-N;276.41;2.14;;;;;CACO;ECACO;25;0;"<a href=https://www.ebi.ac.uk/chembl/assay_report_card/CHEMBL931359/  target=_blank>CHEMBL931359</a>";;;;;;;;;-5.28;;;;;;;;;;;;"Vickers T, Dyck B, Tamiya J, Zhang M, Jovic F, Grey J, Fleck BA, Aparicio A, Johns M, Jin L, Tang H, Foster AC, Chen C.: Studies on a series of milnacipran analogs containing a heteroaromatic group as potent norepinephrine and serotonin transporter inhibitors. Bioorg Med Chem Lett, Volume 18 (11), 2008";ChEMBL
MM475630;MM475630;C#CCN(CC=C)C(=O)[C@@]1(c2ccsc2)C[C@H]1CN;OMTGXKFSSPIPRK-DZGCQCFKSA-N;274.39;1.61;;;;;CACO;ECACO;25;0;"<a href=https://www.ebi.ac.uk/chembl/assay_report_card/CHEMBL931359/  target=_blank>CHEMBL931359</a>";;;;;;;;;-5.02;;;;;;;;;;;;"Vickers T, Dyck B, Tamiya J, Zhang M, Jovic F, Grey J, Fleck BA, Aparicio A, Johns M, Jin L, Tang H, Foster AC, Chen C.: Studies on a series of milnacipran analogs containing a heteroaromatic group as potent norepinephrine and serotonin transporter inhibitors. Bioorg Med Chem Lett, Volume 18 (11), 2008";ChEMBL
MM475631;MM475631;C=CCN(CC=C)C(=O)[C@@]1(c2ccsc2)C[C@H]1CN;POGCTVQQHWBYLG-DZGCQCFKSA-N;276.41;2.17;;;;;CACO;ECACO;25;0;"<a href=https://www.ebi.ac.uk/chembl/assay_report_card/CHEMBL931359/  target=_blank>CHEMBL931359</a>";;;;;;;;;-5.02;;;;;;;;;;;;"Vickers T, Dyck B, Tamiya J, Zhang M, Jovic F, Grey J, Fleck BA, Aparicio A, Johns M, Jin L, Tang H, Foster AC, Chen C.: Studies on a series of milnacipran analogs containing a heteroaromatic group as potent norepinephrine and serotonin transporter inhibitors. Bioorg Med Chem Lett, Volume 18 (11), 2008";ChEMBL
MM475636;MM475636;O=C(O)CC1OC(=O)N(CC(=O)NCC2CCC(Nc3nc4ccccc4[nH]3)CC2)c2ccccc21;PUNZTUWXCLUSNO-UHFFFAOYSA-N;491.55;3.82;44455076;;;CHEMBL256673;CACO;ECACO;25;0;"<a href=https://www.ebi.ac.uk/chembl/assay_report_card/CHEMBL949298/  target=_blank>CHEMBL949298</a>";;;;;;;;;-5.49;;;;;;;;;;;;"Seitz W, Geneste H, Backfisch G, Delzer J, Graef C, Hornberger W, Kling A, Subkowski T, Zimmermann N.: Design and synthesis of novel potent and selective integrin alphanubeta3 antagonists--novel synthetic routes to isoquinolinone, benzoxazinone, and quinazolinone acetates. Bioorg Med Chem Lett, Volume 18 (2), 2008";ChEMBL
MM475641;MM475641;NC[C@@H]1C[C@@]1(C(=O)C1NCc2ccccc21)c1ccsc1;RGPDAGIHVSVOQP-BDBMTWCYSA-N;298.41;2.38;;;;;CACO;ECACO;25;0;"<a href=https://www.ebi.ac.uk/chembl/assay_report_card/CHEMBL931359/  target=_blank>CHEMBL931359</a>";;;;;;;;;-5.33;;;;;;;;;;;;"Vickers T, Dyck B, Tamiya J, Zhang M, Jovic F, Grey J, Fleck BA, Aparicio A, Johns M, Jin L, Tang H, Foster AC, Chen C.: Studies on a series of milnacipran analogs containing a heteroaromatic group as potent norepinephrine and serotonin transporter inhibitors. Bioorg Med Chem Lett, Volume 18 (11), 2008";ChEMBL
MM475643;MM475643;C#CCN(CC#C)C(=O)[C@@]1(c2ccsc2)C[C@H]1CN;XCUFOYFDVQBJRW-DZGCQCFKSA-N;272.37;1.06;;;;;CACO;ECACO;25;0;"<a href=https://www.ebi.ac.uk/chembl/assay_report_card/CHEMBL931359/  target=_blank>CHEMBL931359</a>";;;;;;;;;-4.79;;;;;;;;;;;;"Vickers T, Dyck B, Tamiya J, Zhang M, Jovic F, Grey J, Fleck BA, Aparicio A, Johns M, Jin L, Tang H, Foster AC, Chen C.: Studies on a series of milnacipran analogs containing a heteroaromatic group as potent norepinephrine and serotonin transporter inhibitors. Bioorg Med Chem Lett, Volume 18 (11), 2008";ChEMBL
MM475644;MM475644;C=C(F)CN(CCOC)C(=O)[C@@]1(c2ccsc2)C[C@H]1CN;WDJLGAAWPRVZRR-DZGCQCFKSA-N;312.41;1.92;;;;;CACO;ECACO;25;0;"<a href=https://www.ebi.ac.uk/chembl/assay_report_card/CHEMBL931359/  target=_blank>CHEMBL931359</a>";;;;;;;;;-5.47;;;;;;;;;;;;"Vickers T, Dyck B, Tamiya J, Zhang M, Jovic F, Grey J, Fleck BA, Aparicio A, Johns M, Jin L, Tang H, Foster AC, Chen C.: Studies on a series of milnacipran analogs containing a heteroaromatic group as potent norepinephrine and serotonin transporter inhibitors. Bioorg Med Chem Lett, Volume 18 (11), 2008";ChEMBL
MM475645;MM475645;C#CCN(CCOC)C(=O)[C@@]1(c2ccsc2)C[C@H]1CN;QRBKUYBUQLQJEH-DZGCQCFKSA-N;292.4;1.07;;;;;CACO;ECACO;25;0;"<a href=https://www.ebi.ac.uk/chembl/assay_report_card/CHEMBL931359/  target=_blank>CHEMBL931359</a>";;;;;;;;;-5.49;;;;;;;;;;;;"Vickers T, Dyck B, Tamiya J, Zhang M, Jovic F, Grey J, Fleck BA, Aparicio A, Johns M, Jin L, Tang H, Foster AC, Chen C.: Studies on a series of milnacipran analogs containing a heteroaromatic group as potent norepinephrine and serotonin transporter inhibitors. Bioorg Med Chem Lett, Volume 18 (11), 2008";ChEMBL
MM475649;MM475649;C=CCN(CC)C(=O)[C@@]1(c2ccsc2)C[C@H]1CN;NYOJDMQJBPXCHG-GXTWGEPZSA-N;264.39;2;;;;;CACO;ECACO;25;0;"<a href=https://www.ebi.ac.uk/chembl/assay_report_card/CHEMBL931359/  target=_blank>CHEMBL931359</a>";;;;;;;;;-5.19;;;;;;;;;;;;"Vickers T, Dyck B, Tamiya J, Zhang M, Jovic F, Grey J, Fleck BA, Aparicio A, Johns M, Jin L, Tang H, Foster AC, Chen C.: Studies on a series of milnacipran analogs containing a heteroaromatic group as potent norepinephrine and serotonin transporter inhibitors. Bioorg Med Chem Lett, Volume 18 (11), 2008";ChEMBL
MM475656;MM475656;CCC(C)Nc1ncc(C(=O)Nc2cc(C(=O)NC)ccc2C)s1;OYOUIHFZUAKCEF-LLVKDONJSA-N;346.46;3.27;11427975;;;CHEMBL258202;CACO;ECACO;25;0;"<a href=https://www.ebi.ac.uk/chembl/assay_report_card/CHEMBL929968/  target=_blank>CHEMBL929968</a>";;;;;;;;;-5.08;;;;;;;;;;;;"Hynes J, Wu H, Pitt S, Shen DR, Zhang R, Schieven GL, Gillooly KM, Shuster DJ, Taylor TL, Yang X, McIntyre KW, McKinnon M, Zhang H, Marathe PH, Doweyko AM, Kish K, Kiefer SE, Sack JS, Newitt JA, Barrish JC, Dodd J, Leftheris K.: The discovery of (R)-2-(sec-butylamino)-N-(2-methyl-5-(methylcarbamoyl)phenyl) thiazole-5-carboxamide (BMS-640994)-A potent and efficacious p38alpha MAP kinase inhibitor. Bioorg Med Chem Lett, Volume 18 (6), 2008";ChEMBL
MM475658;MM475658;COC(=O)CN(C1CCCN(c2ccc(-n3ccccc3=O)cc2)C1=O)S(=O)(=O)c1cc2ccc(Cl)nc2s1;GZPHCYJSTRJCEN-UHFFFAOYSA-N;587.08;3.46;10371129;;;CHEMBL258274;CACO;ECACO;25;0;"<a href=https://www.ebi.ac.uk/chembl/assay_report_card/CHEMBL933441/  target=_blank>CHEMBL933441</a>";;;;;;;;;-5.46;;;;;;;;;;;;"Smallheer JM, Wang S, Laws ML, Nakajima S, Hu Z, Han W, Jacobson I, Luettgen JM, Rossi KA, Rendina AR, Knabb RM, Wexler RR, Lam PY, Quan ML.: Sulfonamidolactam inhibitors of coagulation factor Xa. Bioorg Med Chem Lett, Volume 18 (7), 2008";ChEMBL
MM475666;MM475666;COc1cccc(CN2C(=O)CC3(C2=O)C(=O)N(CC(=O)O)c2ccc(Cl)cc23)c1;IJRKCYVJCJRDTH-OAQYLSRUSA-N;428.83;1.98;24776304;;;CHEMBL259520;CACO;ECACO;25;0;"<a href=https://www.ebi.ac.uk/chembl/assay_report_card/CHEMBL937320/  target=_blank>CHEMBL937320</a>";;;;;;;;;-6.1;;;;;;;;;;;;"Crosignani S, Page P, Missotten M, Colovray V, Cleva C, Arrighi JF, Atherall J, Macritchie J, Martin T, Humbert Y, Gaudet M, Pupowicz D, Maio M, Pittet PA, Golzio L, Giachetti C, Rocha C, Bernardinelli G, Filinchuk Y, Scheer A, Schwarz MK, Chollet A.: Discovery of a new class of potent, selective, and orally bioavailable CRTH2 (DP2) receptor antagonists for the treatment of allergic inflammatory diseases. J Med Chem, Volume 51 (7), 2008";ChEMBL
MM475668;MM475668;Cc1noc(-c2ccccc2)c1CN1CC2(CC1=O)C(=O)N(CC(=O)O)c1ccc(Cl)cc12;UJYVUWBBXAPUDC-UHFFFAOYSA-N;465.89;3.4;24776298;;;CHEMBL259940;CACO;ECACO;25;0;"<a href=https://www.ebi.ac.uk/chembl/assay_report_card/CHEMBL937320/  target=_blank>CHEMBL937320</a>";;;;;;;;;-5.68;;;;;;;;;;;;"Crosignani S, Page P, Missotten M, Colovray V, Cleva C, Arrighi JF, Atherall J, Macritchie J, Martin T, Humbert Y, Gaudet M, Pupowicz D, Maio M, Pittet PA, Golzio L, Giachetti C, Rocha C, Bernardinelli G, Filinchuk Y, Scheer A, Schwarz MK, Chollet A.: Discovery of a new class of potent, selective, and orally bioavailable CRTH2 (DP2) receptor antagonists for the treatment of allergic inflammatory diseases. J Med Chem, Volume 51 (7), 2008";ChEMBL
Sulpiride;MM00568;CCN1CCCC1CNC(=O)c1cc(S(N)(=O)=O)ccc1OC;BGRJTUBHPOOWDU-UHFFFAOYSA-N;341.43;0.56;5355;DB00391;;CHEMBL26;CACO;ECACO;25;0;"<a href=https://www.ebi.ac.uk/chembl/assay_report_card/CHEMBL635760/  target=_blank>CHEMBL635760</a>";;;;;;;;;-6.64;;;;;;;;;;;;"Stenberg P, Norinder U, Luthman K, Artursson P.: Experimental and computational screening models for the prediction of intestinal drug absorption. J Med Chem, Volume 44 (12), 2001";ChEMBL
Sulpiride;MM00568;CCN1CCCC1CNC(=O)c1cc(S(N)(=O)=O)ccc1OC;BGRJTUBHPOOWDU-UHFFFAOYSA-N;341.43;0.56;5355;DB00391;;CHEMBL26;CACO;ECACO;25;0;"<a href=https://www.ebi.ac.uk/chembl/assay_report_card/CHEMBL638024/  target=_blank>CHEMBL638024</a>";;;;;;;;;-6.41;;;;;;;;;;;;"Stenberg P, Norinder U, Luthman K, Artursson P.: Experimental and computational screening models for the prediction of intestinal drug absorption. J Med Chem, Volume 44 (12), 2001";ChEMBL
MM475675;MM475675;O=C(O)CN1C(=O)C2(CC(=O)N(Cc3cc(Cl)ccc3F)C2=O)c2cc(Cl)ccc21;IXKFWNVFUXXEFY-HXUWFJFHSA-N;451.24;2.76;24776306;;;CHEMBL260672;CACO;ECACO;25;0;"<a href=https://www.ebi.ac.uk/chembl/assay_report_card/CHEMBL937320/  target=_blank>CHEMBL937320</a>";;;;;;;;;-4.58;;;;;;;;;;;;"Crosignani S, Page P, Missotten M, Colovray V, Cleva C, Arrighi JF, Atherall J, Macritchie J, Martin T, Humbert Y, Gaudet M, Pupowicz D, Maio M, Pittet PA, Golzio L, Giachetti C, Rocha C, Bernardinelli G, Filinchuk Y, Scheer A, Schwarz MK, Chollet A.: Discovery of a new class of potent, selective, and orally bioavailable CRTH2 (DP2) receptor antagonists for the treatment of allergic inflammatory diseases. J Med Chem, Volume 51 (7), 2008";ChEMBL
MM475676;MM475676;O=C(O)CN1C(=O)C2(CC(=O)N(Cc3ccccc3F)C2=O)c2cc(Cl)ccc21;SKLDVYDFQCXARY-HXUWFJFHSA-N;416.79;2.11;24776302;;;CHEMBL260674;CACO;ECACO;25;0;"<a href=https://www.ebi.ac.uk/chembl/assay_report_card/CHEMBL937320/  target=_blank>CHEMBL937320</a>";;;;;;;;;-5.62;;;;;;;;;;;;"Crosignani S, Page P, Missotten M, Colovray V, Cleva C, Arrighi JF, Atherall J, Macritchie J, Martin T, Humbert Y, Gaudet M, Pupowicz D, Maio M, Pittet PA, Golzio L, Giachetti C, Rocha C, Bernardinelli G, Filinchuk Y, Scheer A, Schwarz MK, Chollet A.: Discovery of a new class of potent, selective, and orally bioavailable CRTH2 (DP2) receptor antagonists for the treatment of allergic inflammatory diseases. J Med Chem, Volume 51 (7), 2008";ChEMBL
MM475677;MM475677;CCN(CC)C(=O)[C@@]1(c2ccc3c(c2)OCO3)C[C@H]1CN;PRTQZTFEHWCKDF-BLLLJJGKSA-N;290.36;1.5;;;;;CACO;ECACO;25;0;"<a href=https://www.ebi.ac.uk/chembl/assay_report_card/CHEMBL930503/  target=_blank>CHEMBL930503</a>";;;;;;;;;-5.33;;;;;;;;;;;;"Tamiya J, Dyck B, Zhang M, Phan K, Fleck BA, Aparicio A, Jovic F, Tran JA, Vickers T, Grey J, Foster AC, Chen C.: Identification of 1S,2R-milnacipran analogs as potent norepinephrine and serotonin transporter inhibitors. Bioorg Med Chem Lett, Volume 18 (11), 2008";ChEMBL
MM475680;MM475680;CCC(C)C(NC(=O)C(CC(=O)O)NC(=O)C(CC(C)C)NC(=O)C(NC(C)=O)C1c2ccccc2CCc2ccccc21)C(=O)NC(C(=O)NC(Cc1c[nH]c2ccccc12)C(=O)O)C(C)CC;HRAQSWKGRRUBDJ-FFEQYNEASA-N;950.15;4.27;44304492;;;CHEMBL262993;CACO;ECACO;25;0;"<a href=https://www.ebi.ac.uk/chembl/assay_report_card/CHEMBL653931/  target=_blank>CHEMBL653931</a>";;;;;;;;;-5.11;;;;;;;;;;;;"Cody WL, He JX, Reily MD, Haleen SJ, Walker DM, Reyner EL, Stewart BH, Doherty AM.: Design of a potent combined pseudopeptide endothelin-A/endothelin-B receptor antagonist, Ac-DBhg16-Leu-Asp-Ile-[NMe]Ile-Trp21 (PD 156252): examination of its pharmacokinetic and spectral properties. J Med Chem, Volume 40 (14), 1997";ChEMBL
MM475681;MM475681;Nc1noc2ccc(-n3nc(C(F)(F)F)c4c3C(=O)N(c3ccc(-c5ccccc5CN5CCC(O)C5)cc3F)CC4)cc12;BABFXZTUINNAIF-HXUWFJFHSA-N;606.58;5.19;23646163;;;CHEMBL263767;CACO;ECACO;25;0;"<a href=https://www.ebi.ac.uk/chembl/assay_report_card/CHEMBL868640/  target=_blank>CHEMBL868640</a>";;;;;;;;;-4.89;;;;;;;;;;;;"Pinto DJ, Orwat MJ, Quan ML, Han Q, Galemmo RA, Amparo E, Wells B, Ellis C, He MY, Alexander RS, Rossi KA, Smallwood A, Wong PC, Luettgen JM, Rendina AR, Knabb RM, Mersinger L, Kettner C, Bai S, He K, Wexler RR, Lam PY.: 1-[3-Aminobenzisoxazol-5'-yl]-3-trifluoromethyl-6-[2'-(3-(R)-hydroxy-N-pyrrolidinyl)methyl-[1,1']-biphen-4-yl]-1,4,5,6-tetrahydropyrazolo-[3,4-c]-pyridin-7-one (BMS-740808) a highly potent, selective, efficacious, and orally bioavailable inhibitor of blood coagulation factor Xa. Bioorg Med Chem Lett, Volume 16 (15), 2006";ChEMBL
MM475682;MM475682;CC(C(=O)O)c1ccc(-c2ccc(C3CCCCC3)cc2)c(F)c1;KKDPGNCSRACGCK-UHFFFAOYSA-N;326.41;5.73;;;;;CACO;ECACO;25;0;"<a href=https://www.ebi.ac.uk/chembl/assay_report_card/CHEMBL880472/  target=_blank>CHEMBL880472</a>";;;;;;;;;-5.3;;;;;;;;;;;;"Peretto I, Radaelli S, Parini C, Zandi M, Raveglia LF, Dondio G, Fontanella L, Misiano P, Bigogno C, Rizzi A, Riccardi B, Biscaioli M, Marchetti S, Puccini P, Catinella S, Rondelli I, Cenacchi V, Bolzoni PT, Caruso P, Villetti G, Facchinetti F, Del Giudice E, Moretto N, Imbimbo BP.: Synthesis and biological activity of flurbiprofen analogues as selective inhibitors of beta-amyloid(1)(-)(42) secretion. J Med Chem, Volume 48 (18), 2005";ChEMBL
MM475685;MM475685;CCCCCCCCCCCCC(N[C@H](Cc1ccccc1)C(=O)N[C@@H](CSCNC(C)=O)C(=O)NC(C(=O)N[C@@H](Cc1c[nH]c2ccccc12)C(=O)N[C@@H](CCCCN)C(=O)N[C@@H](CSCNC(C)=O)C(=O)N[C@H](C(N)=O)[C@@H](C)O)c1ccc(O)cc1)C(=O)NC1OC(O)C(O)C(O)C1O;;1450.79;0.1;;;;CHEMBL265784;CACO;ECACO;25;0;"<a href=https://www.ebi.ac.uk/chembl/assay_report_card/CHEMBL632376/  target=_blank>CHEMBL632376</a>";;;;;;;;;-5.8;;;;;;;;;;;;"Tóth I, Malkinson JP, Flinn NS, Drouillat B, Horváth A, Erchegyi J, Idei M, Venetianer A, Artursson P, Lazorova L, Szende B, Kéri G.: Novel lipoamino acid- and liposaccharide-based system for peptide delivery: application for oral administration of tumor-selective somatostatin analogues. J Med Chem, Volume 42 (19), 1999";ChEMBL
MM475685;MM475685;CCCCCCCCCCCCC(N[C@H](Cc1ccccc1)C(=O)N[C@@H](CSCNC(C)=O)C(=O)NC(C(=O)N[C@@H](Cc1c[nH]c2ccccc12)C(=O)N[C@@H](CCCCN)C(=O)N[C@@H](CSCNC(C)=O)C(=O)N[C@H](C(N)=O)[C@@H](C)O)c1ccc(O)cc1)C(=O)NC1OC(O)C(O)C(O)C1O;;1450.79;0.1;;;;CHEMBL265784;CACO;ECACO;25;0;"<a href=https://www.ebi.ac.uk/chembl/assay_report_card/CHEMBL632377/  target=_blank>CHEMBL632377</a>";;;;;;;;;-5.79;;;;;;;;;;;;"Tóth I, Malkinson JP, Flinn NS, Drouillat B, Horváth A, Erchegyi J, Idei M, Venetianer A, Artursson P, Lazorova L, Szende B, Kéri G.: Novel lipoamino acid- and liposaccharide-based system for peptide delivery: application for oral administration of tumor-selective somatostatin analogues. J Med Chem, Volume 42 (19), 1999";ChEMBL
Alprenolol;MM00440;C=CCc1ccccc1OCC(O)CNC(C)C;PAZJSJFMUHDSTF-CQSZACIVSA-N;249.35;2.15;2119;DB00866;;CHEMBL266195;CACO;ECACO;25;0;"<a href=https://www.ebi.ac.uk/chembl/assay_report_card/CHEMBL1074672/  target=_blank>CHEMBL1074672</a>";;;;;;;;;-4.62;;;;;;;;;;;;"Du-Cuny L, Song Z, Moses S, Powis G, Mash EA, Meuillet EJ, Zhang S.: Computational modeling of novel inhibitors targeting the Akt pleckstrin homology domain. Bioorg Med Chem, Volume 17 (19), 2009";ChEMBL
MM475687;MM475687;CN(C(=O)C(Cc1ccc(CN)cc1)NS(=O)(=O)c1ccc2ccccc2c1)C1CCCC1;IECQKBVHIONTKP-VWLOTQADSA-N;465.62;3.59;11754250;;;CHEMBL266196;CACO;ECACO;25;0;"<a href=https://www.ebi.ac.uk/chembl/assay_report_card/CHEMBL619357/  target=_blank>CHEMBL619357</a>";;;;;;;;;-4.96;;;;;;;;;;;;"Lee K, Jung WH, Park CW, Hong CY, Kim IC, Kim S, Oh YS, Kwon OH, Lee SH, Park HD, Kim SW, Lee YH, Yoo YJ.: Benzylamine-based selective and orally bioavailable inhibitors of thrombin. Bioorg Med Chem Lett, Volume 8 (18), 1998";ChEMBL
MM475690;MM475690;O=C1C(NS(=O)(=O)c2cc3ccc(Cl)nc3s2)CCCN1c1ccc(-n2ccccc2=O)cc1;XEOZTCMTXQCNRS-UHFFFAOYSA-N;515.02;3.57;10324201;;;CHEMBL269955;CACO;ECACO;25;0;"<a href=https://www.ebi.ac.uk/chembl/assay_report_card/CHEMBL933441/  target=_blank>CHEMBL933441</a>";;;;;;;;;-5.7;;;;;;;;;;;;"Smallheer JM, Wang S, Laws ML, Nakajima S, Hu Z, Han W, Jacobson I, Luettgen JM, Rossi KA, Rendina AR, Knabb RM, Wexler RR, Lam PY, Quan ML.: Sulfonamidolactam inhibitors of coagulation factor Xa. Bioorg Med Chem Lett, Volume 18 (7), 2008";ChEMBL
Propranolol;MM00085;CC(C)NCC(O)COc1cccc2ccccc12;AQHHHDLHHXJYJD-UHFFFAOYSA-N;259.35;2.58;4946;DB00571;;CHEMBL27;CACO;ECACO;25;0;"<a href=https://www.ebi.ac.uk/chembl/assay_report_card/CHEMBL945419/  target=_blank>CHEMBL945419</a>";;;;;;;;;-5;;;;;;;;;;;;"Kim SH, Tran MT, Ruebsam F, Xiang AX, Ayida B, McGuire H, Ellis D, Blazel J, Tran CV, Murphy DE, Webber SE, Zhou Y, Shah AM, Tsan M, Showalter RE, Patel R, Gobbi A, LeBrun LA, Bartkowski DM, Nolan TG, Norris DA, Sergeeva MV, Kirkovsky L, Zhao Q, Han Q, Kissinger CR.: Structure-based design, synthesis, and biological evaluation of 1,1-dioxoisothiazole and benzo[b]thiophene-1,1-dioxide derivatives as novel inhibitors of hepatitis C virus NS5B polymerase. Bioorg Med Chem Lett, Volume 18 (14), 2008";ChEMBL
Propranolol;MM00085;CC(C)NCC(O)COc1cccc2ccccc12;AQHHHDLHHXJYJD-UHFFFAOYSA-N;259.35;2.58;4946;DB00571;;CHEMBL27;CACO;ECACO;25;0;"<a href=https://www.ebi.ac.uk/chembl/assay_report_card/CHEMBL983545/  target=_blank>CHEMBL983545</a>";;;;;;;;;-5;;;;;;;;;;;;"Dragovich PS, Blazel JK, Ellis DA, Han Q, Kamran R, Kissinger CR, LeBrun LA, Li LS, Murphy DE, Noble M, Patel RA, Ruebsam F, Sergeeva MV, Shah AM, Showalter RE, Tran CV, Tsan M, Webber SE, Kirkovsky L, Zhou Y.: Novel HCV NS5B polymerase inhibitors derived from 4-(1',1'-dioxo-1',4'-dihydro-1'lambda(6)-benzo[1',2',4']thiadiazin-3'-yl)-5-hydroxy-2H-pyridazin-3-ones. Part 5: Exploration of pyridazinones containing 6-amino-substituents. Bioorg Med Chem Lett, Volume 18 (20), 2008";ChEMBL
Propranolol;MM00085;CC(C)NCC(O)COc1cccc2ccccc12;AQHHHDLHHXJYJD-UHFFFAOYSA-N;259.35;2.58;4946;DB00571;;CHEMBL27;CACO;ECACO;25;0;"<a href=https://www.ebi.ac.uk/chembl/assay_report_card/CHEMBL638187/  target=_blank>CHEMBL638187</a>";;;;;;;;;-4.5;;;;;;;;;;;;"Wohnsland F, Faller B.: High-throughput permeability pH profile and high-throughput alkane/water log P with artificial membranes. J Med Chem, Volume 44 (6), 2001";ChEMBL
Propranolol;MM00085;CC(C)NCC(O)COc1cccc2ccccc12;AQHHHDLHHXJYJD-UHFFFAOYSA-N;259.35;2.58;4946;DB00571;;CHEMBL27;CACO;ECACO;25;0;"<a href=https://www.ebi.ac.uk/chembl/assay_report_card/CHEMBL619358/  target=_blank>CHEMBL619358</a>";;;;;;;;;-4.38;;;;;;;;;;;;"Mandagere AK, Thompson TN, Hwang KK.: Graphical model for estimating oral bioavailability of drugs in humans and other species from their Caco-2 permeability and in vitro liver enzyme metabolic stability rates. J Med Chem, Volume 45 (2), 2002";ChEMBL
Propranolol;MM00085;CC(C)NCC(O)COc1cccc2ccccc12;AQHHHDLHHXJYJD-UHFFFAOYSA-N;259.35;2.58;4946;DB00571;;CHEMBL27;CACO;ECACO;25;0;"<a href=https://www.ebi.ac.uk/chembl/assay_report_card/CHEMBL840608/  target=_blank>CHEMBL840608</a>";;;;;;;;;-4.9;;;;;;;;;;;;"Refsgaard HH, Jensen BF, Brockhoff PB, Padkjaer SB, Guldbrandt M, Christensen MS.: In silico prediction of membrane permeability from calculated molecular parameters. J Med Chem, Volume 48 (3), 2005";ChEMBL
Propranolol;MM00085;CC(C)NCC(O)COc1cccc2ccccc12;AQHHHDLHHXJYJD-UHFFFAOYSA-N;259.35;2.58;4946;DB00571;;CHEMBL27;CACO;ECACO;25;0;"<a href=https://www.ebi.ac.uk/chembl/assay_report_card/CHEMBL932308/  target=_blank>CHEMBL932308</a>";;;;;;;;;-4.6;;;;;;;;;;;;"Hess S, Linde Y, Ovadia O, Safrai E, Shalev DE, Swed A, Halbfinger E, Lapidot T, Winkler I, Gabinet Y, Faier A, Yarden D, Xiang Z, Portillo FP, Haskell-Luevano C, Gilon C, Hoffman A.: Backbone cyclic peptidomimetic melanocortin-4 receptor agonist as a novel orally administrated drug lead for treating obesity. J Med Chem, Volume 51 (4), 2008";ChEMBL
MM475691;MM475691;CNC(=O)CN(C1CCCN(c2ccc(-n3ccccc3=O)cc2F)C1=O)S(=O)(=O)c1cc2ccc(Cl)nc2s1;SGTJKWMCAVDHCK-UHFFFAOYSA-N;604.09;3.17;10258080;;;CHEMBL270034;CACO;ECACO;25;0;"<a href=https://www.ebi.ac.uk/chembl/assay_report_card/CHEMBL933441/  target=_blank>CHEMBL933441</a>";;;;;;;;;-7;;;;;;;;;;;;"Smallheer JM, Wang S, Laws ML, Nakajima S, Hu Z, Han W, Jacobson I, Luettgen JM, Rossi KA, Rendina AR, Knabb RM, Wexler RR, Lam PY, Quan ML.: Sulfonamidolactam inhibitors of coagulation factor Xa. Bioorg Med Chem Lett, Volume 18 (7), 2008";ChEMBL
MM475692;MM475692;COC(=O)NC(C(=O)NN(CCCC(O)(Cc1ccccc1)C(=O)NC1c2ccccc2CC1O)Cc1ccc(-c2ccncc2)cc1)C(C)(C)C;MXBJTNCGIKKFSM-IBHRRMRLSA-N;707.87;4.88;24801584;;;CHEMBL270135;CACO;ECACO;25;0;"<a href=https://www.ebi.ac.uk/chembl/assay_report_card/CHEMBL1048544/  target=_blank>CHEMBL1048544</a>";;;;;;;;;-5.52;;;;;;;;;;;;"Mahalingam AK, Axelsson L, Ekegren JK, Wannberg J, Kihlström J, Unge T, Wallberg H, Samuelsson B, Larhed M, Hallberg A.: HIV-1 protease inhibitors with a transition-state mimic comprising a tertiary alcohol: improved antiviral activity in cells. J Med Chem, Volume 53 (2), 2010";ChEMBL
MM475697;MM475697;O=C1C(NS(=O)(=O)c2cc3ccc(Cl)nc3s2)CCCN1c1ccc(-n2ccccc2=O)cc1F;RNDGHCNVRQCTJM-UHFFFAOYSA-N;533.01;3.71;10098572;;;CHEMBL270862;CACO;ECACO;25;0;"<a href=https://www.ebi.ac.uk/chembl/assay_report_card/CHEMBL933441/  target=_blank>CHEMBL933441</a>";;;;;;;;;-5.08;;;;;;;;;;;;"Smallheer JM, Wang S, Laws ML, Nakajima S, Hu Z, Han W, Jacobson I, Luettgen JM, Rossi KA, Rendina AR, Knabb RM, Wexler RR, Lam PY, Quan ML.: Sulfonamidolactam inhibitors of coagulation factor Xa. Bioorg Med Chem Lett, Volume 18 (7), 2008";ChEMBL
MM475700;MM475700;NC(=O)CN1CCCNC(=O)CCCCC(=O)NC(Cc2ccccc2)C(=O)NC(Cc2ccccc2)C(=O)NC(CCCN=C(N)N)C(=O)NC(Cc2c[nH]c3ccccc23)C1=O;FTHTUSUQUUNCDD-DYLMPHRMSA-N;878.05;0.79;44457067;;;CHEMBL271586;CACO;ECACO;25;0;"<a href=https://www.ebi.ac.uk/chembl/assay_report_card/CHEMBL932308/  target=_blank>CHEMBL932308</a>";;;;;;;;;-4.72;;;;;;;;;;;;"Hess S, Linde Y, Ovadia O, Safrai E, Shalev DE, Swed A, Halbfinger E, Lapidot T, Winkler I, Gabinet Y, Faier A, Yarden D, Xiang Z, Portillo FP, Haskell-Luevano C, Gilon C, Hoffman A.: Backbone cyclic peptidomimetic melanocortin-4 receptor agonist as a novel orally administrated drug lead for treating obesity. J Med Chem, Volume 51 (4), 2008";ChEMBL
MM475703;MM475703;NC(=O)CN1CCCNC(=O)CCC(=O)NC(Cc2ccccc2)C(=O)NC(Cc2ccccc2)C(=O)NC(CCCN=C(N)N)C(=O)NC(Cc2c[nH]c3ccccc23)C1=O;OHZACAASEFWFDZ-KFIZHRIMSA-N;849.99;0.01;15603023;;;CHEMBL272660;CACO;ECACO;25;0;"<a href=https://www.ebi.ac.uk/chembl/assay_report_card/CHEMBL932308/  target=_blank>CHEMBL932308</a>";;;;;;;;;-4.73;;;;;;;;;;;;"Hess S, Linde Y, Ovadia O, Safrai E, Shalev DE, Swed A, Halbfinger E, Lapidot T, Winkler I, Gabinet Y, Faier A, Yarden D, Xiang Z, Portillo FP, Haskell-Luevano C, Gilon C, Hoffman A.: Backbone cyclic peptidomimetic melanocortin-4 receptor agonist as a novel orally administrated drug lead for treating obesity. J Med Chem, Volume 51 (4), 2008";ChEMBL
Antipyrine;MM00333;Cc1cc(=O)n(-c2ccccc2)n1C;VEQOALNAAJBPNY-UHFFFAOYSA-N;188.23;1.48;2206;DB01435;;CHEMBL277474;CACO;ECACO;25;0;"<a href=https://www.ebi.ac.uk/chembl/assay_report_card/CHEMBL1074672/  target=_blank>CHEMBL1074672</a>";;;;;;;;;-4.55;;;;;;;;;;;;"Du-Cuny L, Song Z, Moses S, Powis G, Mash EA, Meuillet EJ, Zhang S.: Computational modeling of novel inhibitors targeting the Akt pleckstrin homology domain. Bioorg Med Chem, Volume 17 (19), 2009";ChEMBL
MM475704;MM475704;COc1ccc(-n2nc(C(N)=O)c3c2C(=O)N(c2ccc(-c4ccccc4CN)cc2)CC3)cc1;GNENBXDFTFJVCO-UHFFFAOYSA-N;467.53;3.31;10139899;;;CHEMBL279187;CACO;ECACO;25;0;"<a href=https://www.ebi.ac.uk/chembl/assay_report_card/CHEMBL900671/  target=_blank>CHEMBL900671</a>";;;;;;;;;-5.92;;;;;;;;;;;;"Pinto DJ, Orwat MJ, Koch S, Rossi KA, Alexander RS, Smallwood A, Wong PC, Rendina AR, Luettgen JM, Knabb RM, He K, Xin B, Wexler RR, Lam PY.: Discovery of 1-(4-methoxyphenyl)-7-oxo-6-(4-(2-oxopiperidin-1-yl)phenyl)-4,5,6,7-tetrahydro-1H-pyrazolo[3,4-c]pyridine-3-carboxamide (apixaban, BMS-562247), a highly potent, selective, efficacious, and orally bioavailable inhibitor of blood coagulation factor Xa. J Med Chem, Volume 50 (22), 2007";ChEMBL
MM475705;MM475705;Cc1noc(NS(=O)(=O)c2ccccc2-c2ccc(-c3ncco3)cc2CN(C)C(=O)CC(F)(F)F)c1C;TWNPZFARHUKPBV-UHFFFAOYSA-N;548.54;5.33;;;;;CACO;ECACO;25;0;"<a href=https://www.ebi.ac.uk/chembl/assay_report_card/CHEMBL638025/  target=_blank>CHEMBL638025</a>";;;;;;;;;-5.52;;;;;;;;;;;;"Murugesan N, Gu Z, Spergel S, Young M, Chen P, Mathur A, Leith L, Hermsmeier M, Liu EC, Zhang R, Bird E, Waldron T, Marino A, Koplowitz B, Humphreys WG, Chong S, Morrison RA, Webb ML, Moreland S, Trippodo N, Barrish JC.: Biphenylsulfonamide endothelin receptor antagonists. 4. Discovery of N-[[2'-[[(4,5-dimethyl-3-isoxazolyl)amino]sulfonyl]-4-(2-oxazolyl)[1,1'-biphenyl]- 2-yl]methyl]-N,3,3-trimethylbutanamide (BMS-207940), a highly potent and orally active ET(A) selective antagonist. J Med Chem, Volume 46 (1), 2003";ChEMBL
MM475706;MM475706;Cc1noc(NS(=O)(=O)c2ccccc2-c2ccc(-c3ncco3)cc2CN(C)C(=O)CC(C)(C)C)c1C;QDKJEEQYGZGXKJ-UHFFFAOYSA-N;536.65;5.81;;;;;CACO;ECACO;25;0;"<a href=https://www.ebi.ac.uk/chembl/assay_report_card/CHEMBL638025/  target=_blank>CHEMBL638025</a>";;;;;;;;;-5.12;;;;;;;;;;;;"Murugesan N, Gu Z, Spergel S, Young M, Chen P, Mathur A, Leith L, Hermsmeier M, Liu EC, Zhang R, Bird E, Waldron T, Marino A, Koplowitz B, Humphreys WG, Chong S, Morrison RA, Webb ML, Moreland S, Trippodo N, Barrish JC.: Biphenylsulfonamide endothelin receptor antagonists. 4. Discovery of N-[[2'-[[(4,5-dimethyl-3-isoxazolyl)amino]sulfonyl]-4-(2-oxazolyl)[1,1'-biphenyl]- 2-yl]methyl]-N,3,3-trimethylbutanamide (BMS-207940), a highly potent and orally active ET(A) selective antagonist. J Med Chem, Volume 46 (1), 2003";ChEMBL
MM475707;MM475707;Cc1noc(NS(=O)(=O)c2ccccc2-c2ccc(-c3ncco3)cc2CN(C)C(=O)c2ccccc2)c1C;KMOYVJSVLLXFQU-UHFFFAOYSA-N;542.62;5.69;;;;;CACO;ECACO;25;0;"<a href=https://www.ebi.ac.uk/chembl/assay_report_card/CHEMBL638025/  target=_blank>CHEMBL638025</a>";;;;;;;;;-5.55;;;;;;;;;;;;"Murugesan N, Gu Z, Spergel S, Young M, Chen P, Mathur A, Leith L, Hermsmeier M, Liu EC, Zhang R, Bird E, Waldron T, Marino A, Koplowitz B, Humphreys WG, Chong S, Morrison RA, Webb ML, Moreland S, Trippodo N, Barrish JC.: Biphenylsulfonamide endothelin receptor antagonists. 4. Discovery of N-[[2'-[[(4,5-dimethyl-3-isoxazolyl)amino]sulfonyl]-4-(2-oxazolyl)[1,1'-biphenyl]- 2-yl]methyl]-N,3,3-trimethylbutanamide (BMS-207940), a highly potent and orally active ET(A) selective antagonist. J Med Chem, Volume 46 (1), 2003";ChEMBL
MM475708;MM475708;Cc1noc(NS(=O)(=O)c2ccccc2-c2ccc(-c3ncco3)cc2CN2CCN(C)C2=O)c1C;CTSLPVTWRWISJE-UHFFFAOYSA-N;507.57;4.28;;;;;CACO;ECACO;25;0;"<a href=https://www.ebi.ac.uk/chembl/assay_report_card/CHEMBL638025/  target=_blank>CHEMBL638025</a>";;;;;;;;;-5.7;;;;;;;;;;;;"Murugesan N, Gu Z, Spergel S, Young M, Chen P, Mathur A, Leith L, Hermsmeier M, Liu EC, Zhang R, Bird E, Waldron T, Marino A, Koplowitz B, Humphreys WG, Chong S, Morrison RA, Webb ML, Moreland S, Trippodo N, Barrish JC.: Biphenylsulfonamide endothelin receptor antagonists. 4. Discovery of N-[[2'-[[(4,5-dimethyl-3-isoxazolyl)amino]sulfonyl]-4-(2-oxazolyl)[1,1'-biphenyl]- 2-yl]methyl]-N,3,3-trimethylbutanamide (BMS-207940), a highly potent and orally active ET(A) selective antagonist. J Med Chem, Volume 46 (1), 2003";ChEMBL
MM475709;MM475709;Cc1noc(NS(=O)(=O)c2ccccc2-c2ccc(-c3ncco3)cc2CN2CCCC(C)(C)C2=O)c1C;FPJPMEXULUCUCB-UHFFFAOYSA-N;534.64;5.56;;;;;CACO;ECACO;25;0;"<a href=https://www.ebi.ac.uk/chembl/assay_report_card/CHEMBL638025/  target=_blank>CHEMBL638025</a>";;;;;;;;;-5.07;;;;;;;;;;;;"Murugesan N, Gu Z, Spergel S, Young M, Chen P, Mathur A, Leith L, Hermsmeier M, Liu EC, Zhang R, Bird E, Waldron T, Marino A, Koplowitz B, Humphreys WG, Chong S, Morrison RA, Webb ML, Moreland S, Trippodo N, Barrish JC.: Biphenylsulfonamide endothelin receptor antagonists. 4. Discovery of N-[[2'-[[(4,5-dimethyl-3-isoxazolyl)amino]sulfonyl]-4-(2-oxazolyl)[1,1'-biphenyl]- 2-yl]methyl]-N,3,3-trimethylbutanamide (BMS-207940), a highly potent and orally active ET(A) selective antagonist. J Med Chem, Volume 46 (1), 2003";ChEMBL
MM475710;MM475710;CC(=O)N(C)Cc1cc(-c2ncco2)ccc1-c1ccccc1S(=O)(=O)Nc1onc(C)c1C;WOBBXUGAQYJTDY-UHFFFAOYSA-N;480.55;4.39;10972867;;;CHEMBL284656;CACO;ECACO;25;0;"<a href=https://www.ebi.ac.uk/chembl/assay_report_card/CHEMBL638026/  target=_blank>CHEMBL638026</a>";;;;;;;;;-5.89;;;;;;;;;;;;"Murugesan N, Gu Z, Spergel S, Young M, Chen P, Mathur A, Leith L, Hermsmeier M, Liu EC, Zhang R, Bird E, Waldron T, Marino A, Koplowitz B, Humphreys WG, Chong S, Morrison RA, Webb ML, Moreland S, Trippodo N, Barrish JC.: Biphenylsulfonamide endothelin receptor antagonists. 4. Discovery of N-[[2'-[[(4,5-dimethyl-3-isoxazolyl)amino]sulfonyl]-4-(2-oxazolyl)[1,1'-biphenyl]- 2-yl]methyl]-N,3,3-trimethylbutanamide (BMS-207940), a highly potent and orally active ET(A) selective antagonist. J Med Chem, Volume 46 (1), 2003";ChEMBL
MM475711;MM475711;Cc1noc(NS(=O)(=O)c2ccccc2-c2ccc(-c3ncco3)cc2COC(C)C)c1C;XJUXAAFCMXUBET-UHFFFAOYSA-N;467.55;5.34;;;;;CACO;ECACO;25;0;"<a href=https://www.ebi.ac.uk/chembl/assay_report_card/CHEMBL638025/  target=_blank>CHEMBL638025</a>";;;;;;;;;-4.87;;;;;;;;;;;;"Murugesan N, Gu Z, Spergel S, Young M, Chen P, Mathur A, Leith L, Hermsmeier M, Liu EC, Zhang R, Bird E, Waldron T, Marino A, Koplowitz B, Humphreys WG, Chong S, Morrison RA, Webb ML, Moreland S, Trippodo N, Barrish JC.: Biphenylsulfonamide endothelin receptor antagonists. 4. Discovery of N-[[2'-[[(4,5-dimethyl-3-isoxazolyl)amino]sulfonyl]-4-(2-oxazolyl)[1,1'-biphenyl]- 2-yl]methyl]-N,3,3-trimethylbutanamide (BMS-207940), a highly potent and orally active ET(A) selective antagonist. J Med Chem, Volume 46 (1), 2003";ChEMBL
4-(dimethylamino)-1,5-dimethyl-2-phenylpyrazol-3-one;MM00331;Cc1c(N(C)C)c(=O)n(-c2ccccc2)n1C;RMMXTBMQSGEXHJ-UHFFFAOYSA-N;231.3;1.55;6009;DB01424;;CHEMBL288470;CACO;ECACO;25;0;"<a href=https://www.ebi.ac.uk/chembl/assay_report_card/CHEMBL1074672/  target=_blank>CHEMBL1074672</a>";;;;;;;;;-4.44;;;;;;;;;;;;"Du-Cuny L, Song Z, Moses S, Powis G, Mash EA, Meuillet EJ, Zhang S.: Computational modeling of novel inhibitors targeting the Akt pleckstrin homology domain. Bioorg Med Chem, Volume 17 (19), 2009";ChEMBL
MM475714;MM475714;NC(N)=NCc1ccccc1;ABSNGNUGFQIDDO-UHFFFAOYSA-N;149.2;0.67;16644;;;CHEMBL288640;CACO;ECACO;25;0;"<a href=https://www.ebi.ac.uk/chembl/assay_report_card/CHEMBL656467/  target=_blank>CHEMBL656467</a>";;;;;;;;;-5.65;;;;;;;;;;;;10.1016/S0960-894X(01)80549-7;ChEMBL
MM475717;MM475717;Cc1noc(NS(=O)(=O)c2ccccc2-c2ccc(-c3ncco3)cc2CNCC(F)(F)F)c1C;ZHRNJYRTUCXIIO-UHFFFAOYSA-N;506.51;5.07;;;;;CACO;ECACO;25;0;"<a href=https://www.ebi.ac.uk/chembl/assay_report_card/CHEMBL638025/  target=_blank>CHEMBL638025</a>";;;;;;;;;-5.07;;;;;;;;;;;;"Murugesan N, Gu Z, Spergel S, Young M, Chen P, Mathur A, Leith L, Hermsmeier M, Liu EC, Zhang R, Bird E, Waldron T, Marino A, Koplowitz B, Humphreys WG, Chong S, Morrison RA, Webb ML, Moreland S, Trippodo N, Barrish JC.: Biphenylsulfonamide endothelin receptor antagonists. 4. Discovery of N-[[2'-[[(4,5-dimethyl-3-isoxazolyl)amino]sulfonyl]-4-(2-oxazolyl)[1,1'-biphenyl]- 2-yl]methyl]-N,3,3-trimethylbutanamide (BMS-207940), a highly potent and orally active ET(A) selective antagonist. J Med Chem, Volume 46 (1), 2003";ChEMBL
MM475718;MM475718;CC(=O)NCc1cc(-c2ncco2)ccc1-c1ccccc1S(=O)(=O)Nc1onc(C)c1C;XAHBFCGXCQNZHI-UHFFFAOYSA-N;466.52;4.05;;;;;CACO;ECACO;25;0;"<a href=https://www.ebi.ac.uk/chembl/assay_report_card/CHEMBL638025/  target=_blank>CHEMBL638025</a>";;;;;;;;;-5.89;;;;;;;;;;;;"Murugesan N, Gu Z, Spergel S, Young M, Chen P, Mathur A, Leith L, Hermsmeier M, Liu EC, Zhang R, Bird E, Waldron T, Marino A, Koplowitz B, Humphreys WG, Chong S, Morrison RA, Webb ML, Moreland S, Trippodo N, Barrish JC.: Biphenylsulfonamide endothelin receptor antagonists. 4. Discovery of N-[[2'-[[(4,5-dimethyl-3-isoxazolyl)amino]sulfonyl]-4-(2-oxazolyl)[1,1'-biphenyl]- 2-yl]methyl]-N,3,3-trimethylbutanamide (BMS-207940), a highly potent and orally active ET(A) selective antagonist. J Med Chem, Volume 46 (1), 2003";ChEMBL
MM475719;MM475719;Cc1noc(NS(=O)(=O)c2ccccc2-c2ccc(-c3ncco3)cc2Cc2ncco2)c1C;QSDFLNIZMIGXOO-UHFFFAOYSA-N;476.51;4.99;;;;;CACO;ECACO;25;0;"<a href=https://www.ebi.ac.uk/chembl/assay_report_card/CHEMBL638025/  target=_blank>CHEMBL638025</a>";;;;;;;;;-4.83;;;;;;;;;;;;"Murugesan N, Gu Z, Spergel S, Young M, Chen P, Mathur A, Leith L, Hermsmeier M, Liu EC, Zhang R, Bird E, Waldron T, Marino A, Koplowitz B, Humphreys WG, Chong S, Morrison RA, Webb ML, Moreland S, Trippodo N, Barrish JC.: Biphenylsulfonamide endothelin receptor antagonists. 4. Discovery of N-[[2'-[[(4,5-dimethyl-3-isoxazolyl)amino]sulfonyl]-4-(2-oxazolyl)[1,1'-biphenyl]- 2-yl]methyl]-N,3,3-trimethylbutanamide (BMS-207940), a highly potent and orally active ET(A) selective antagonist. J Med Chem, Volume 46 (1), 2003";ChEMBL
MM475720;MM475720;OCC1OC(OC2C(CO)OC(O)(CO)C2O)C(O)C(O)C1O;;342.3;-5.4;11333;;;CHEMBL296306;CACO;ECACO;25;0;"<a href=https://www.ebi.ac.uk/chembl/assay_report_card/CHEMBL635760/  target=_blank>CHEMBL635760</a>";;;;;;;;;-6.52;;;;;;;;;;;;"Stenberg P, Norinder U, Luthman K, Artursson P.: Experimental and computational screening models for the prediction of intestinal drug absorption. J Med Chem, Volume 44 (12), 2001";ChEMBL
MM475720;MM475720;OCC1OC(OC2C(CO)OC(O)(CO)C2O)C(O)C(O)C1O;;342.3;-5.4;11333;;;CHEMBL296306;CACO;ECACO;25;0;"<a href=https://www.ebi.ac.uk/chembl/assay_report_card/CHEMBL638024/  target=_blank>CHEMBL638024</a>";;;;;;;;;-6.57;;;;;;;;;;;;"Stenberg P, Norinder U, Luthman K, Artursson P.: Experimental and computational screening models for the prediction of intestinal drug absorption. J Med Chem, Volume 44 (12), 2001";ChEMBL
MM475721;MM475721;CCCCCCC(C(C)O)n1cnc2c(N)ncnc21;;277.37;2.3;149790;;;CHEMBL296435;CACO;ECACO;25;0;"<a href=https://www.ebi.ac.uk/chembl/assay_report_card/CHEMBL860259/  target=_blank>CHEMBL860259</a>";;;;;;;;;-4.47;;;;;;;;;;;;"Chambers RJ, Abrams K, Garceau NY, Kamath AV, Manley CM, Lilley SC, Otte DA, Scott DO, Sheils AL, Tess DA, Vellekoop AS, Zhang Y, Lam KT.: A new chemical tool for exploring the physiological function of the PDE2 isozyme. Bioorg Med Chem Lett, Volume 16 (2), 2006";ChEMBL
MM475721;MM475721;CCCCCCC(C(C)O)n1cnc2c(N)ncnc21;;277.37;2.3;149790;;;CHEMBL296435;CACO;ECACO;25;0;"<a href=https://www.ebi.ac.uk/chembl/assay_report_card/CHEMBL860260/  target=_blank>CHEMBL860260</a>";;;;;;;;;-4.74;;;;;;;;;;;;"Chambers RJ, Abrams K, Garceau NY, Kamath AV, Manley CM, Lilley SC, Otte DA, Scott DO, Sheils AL, Tess DA, Vellekoop AS, Zhang Y, Lam KT.: A new chemical tool for exploring the physiological function of the PDE2 isozyme. Bioorg Med Chem Lett, Volume 16 (2), 2006";ChEMBL
MM475722;MM475722;Cc1noc(NS(=O)(=O)c2ccccc2-c2ccc(-c3ncco3)cc2CN(C)C(=O)CC2CCCCC2)c1C;XFVRGRHYQOBYLX-UHFFFAOYSA-N;562.69;6.34;;;;;CACO;ECACO;25;0;"<a href=https://www.ebi.ac.uk/chembl/assay_report_card/CHEMBL638025/  target=_blank>CHEMBL638025</a>";;;;;;;;;-5.23;;;;;;;;;;;;"Murugesan N, Gu Z, Spergel S, Young M, Chen P, Mathur A, Leith L, Hermsmeier M, Liu EC, Zhang R, Bird E, Waldron T, Marino A, Koplowitz B, Humphreys WG, Chong S, Morrison RA, Webb ML, Moreland S, Trippodo N, Barrish JC.: Biphenylsulfonamide endothelin receptor antagonists. 4. Discovery of N-[[2'-[[(4,5-dimethyl-3-isoxazolyl)amino]sulfonyl]-4-(2-oxazolyl)[1,1'-biphenyl]- 2-yl]methyl]-N,3,3-trimethylbutanamide (BMS-207940), a highly potent and orally active ET(A) selective antagonist. J Med Chem, Volume 46 (1), 2003";ChEMBL
MM475723;MM475723;Cc1noc(NS(=O)(=O)c2ccccc2-c2ccc(-c3ncco3)cc2CN(C)c2ccccc2)c1C;HKMVKDPUVNFFAO-UHFFFAOYSA-N;514.61;6.05;;;;;CACO;ECACO;25;0;"<a href=https://www.ebi.ac.uk/chembl/assay_report_card/CHEMBL638025/  target=_blank>CHEMBL638025</a>";;;;;;;;;-4.96;;;;;;;;;;;;"Murugesan N, Gu Z, Spergel S, Young M, Chen P, Mathur A, Leith L, Hermsmeier M, Liu EC, Zhang R, Bird E, Waldron T, Marino A, Koplowitz B, Humphreys WG, Chong S, Morrison RA, Webb ML, Moreland S, Trippodo N, Barrish JC.: Biphenylsulfonamide endothelin receptor antagonists. 4. Discovery of N-[[2'-[[(4,5-dimethyl-3-isoxazolyl)amino]sulfonyl]-4-(2-oxazolyl)[1,1'-biphenyl]- 2-yl]methyl]-N,3,3-trimethylbutanamide (BMS-207940), a highly potent and orally active ET(A) selective antagonist. J Med Chem, Volume 46 (1), 2003";ChEMBL
MM475724;MM475724;Cc1noc(NS(=O)(=O)c2ccccc2-c2ccc(-c3ncco3)cc2CN2CCC(C)(C)C2=O)c1C;XPBBDUYWSIZCNR-UHFFFAOYSA-N;520.61;5.17;;;;;CACO;ECACO;25;0;"<a href=https://www.ebi.ac.uk/chembl/assay_report_card/CHEMBL638025/  target=_blank>CHEMBL638025</a>";;;;;;;;;-5.39;;;;;;;;;;;;"Murugesan N, Gu Z, Spergel S, Young M, Chen P, Mathur A, Leith L, Hermsmeier M, Liu EC, Zhang R, Bird E, Waldron T, Marino A, Koplowitz B, Humphreys WG, Chong S, Morrison RA, Webb ML, Moreland S, Trippodo N, Barrish JC.: Biphenylsulfonamide endothelin receptor antagonists. 4. Discovery of N-[[2'-[[(4,5-dimethyl-3-isoxazolyl)amino]sulfonyl]-4-(2-oxazolyl)[1,1'-biphenyl]- 2-yl]methyl]-N,3,3-trimethylbutanamide (BMS-207940), a highly potent and orally active ET(A) selective antagonist. J Med Chem, Volume 46 (1), 2003";ChEMBL
Cimetidine;MM00463;CN=C(NC#N)NCCSCc1nc[nH]c1C;AQIXAKUUQRKLND-UHFFFAOYSA-N;252.35;0.6;2756;DB00501;;CHEMBL30;CACO;ECACO;25;0;"<a href=https://www.ebi.ac.uk/chembl/assay_report_card/CHEMBL635760/  target=_blank>CHEMBL635760</a>";;;;;;;;;-5.91;;;;;;;;;;;;"Stenberg P, Norinder U, Luthman K, Artursson P.: Experimental and computational screening models for the prediction of intestinal drug absorption. J Med Chem, Volume 44 (12), 2001";ChEMBL
Cimetidine;MM00463;CN=C(NC#N)NCCSCc1nc[nH]c1C;AQIXAKUUQRKLND-UHFFFAOYSA-N;252.35;0.6;2756;DB00501;;CHEMBL30;CACO;ECACO;25;0;"<a href=https://www.ebi.ac.uk/chembl/assay_report_card/CHEMBL638024/  target=_blank>CHEMBL638024</a>";;;;;;;;;-5.92;;;;;;;;;;;;"Stenberg P, Norinder U, Luthman K, Artursson P.: Experimental and computational screening models for the prediction of intestinal drug absorption. J Med Chem, Volume 44 (12), 2001";ChEMBL
MM475725;MM475725;Cc1noc(NS(=O)(=O)c2ccccc2-c2ccc(-c3ncco3)cc2Cn2ccnc2)c1C;KAIWKTKPOCNWMM-UHFFFAOYSA-N;475.53;4.66;;;;;CACO;ECACO;25;0;"<a href=https://www.ebi.ac.uk/chembl/assay_report_card/CHEMBL638025/  target=_blank>CHEMBL638025</a>";;;;;;;;;-5.12;;;;;;;;;;;;"Murugesan N, Gu Z, Spergel S, Young M, Chen P, Mathur A, Leith L, Hermsmeier M, Liu EC, Zhang R, Bird E, Waldron T, Marino A, Koplowitz B, Humphreys WG, Chong S, Morrison RA, Webb ML, Moreland S, Trippodo N, Barrish JC.: Biphenylsulfonamide endothelin receptor antagonists. 4. Discovery of N-[[2'-[[(4,5-dimethyl-3-isoxazolyl)amino]sulfonyl]-4-(2-oxazolyl)[1,1'-biphenyl]- 2-yl]methyl]-N,3,3-trimethylbutanamide (BMS-207940), a highly potent and orally active ET(A) selective antagonist. J Med Chem, Volume 46 (1), 2003";ChEMBL
MM475726;MM475726;Cc1noc(NS(=O)(=O)c2ccccc2-c2ccc(-c3ncco3)cc2CN(C)C(=O)c2cc(Cl)cc(Cl)c2)c1C;LNPRLVTXUXFAEN-UHFFFAOYSA-N;611.51;6.99;;;;;CACO;ECACO;25;0;"<a href=https://www.ebi.ac.uk/chembl/assay_report_card/CHEMBL638025/  target=_blank>CHEMBL638025</a>";;;;;;;;;-5.37;;;;;;;;;;;;"Murugesan N, Gu Z, Spergel S, Young M, Chen P, Mathur A, Leith L, Hermsmeier M, Liu EC, Zhang R, Bird E, Waldron T, Marino A, Koplowitz B, Humphreys WG, Chong S, Morrison RA, Webb ML, Moreland S, Trippodo N, Barrish JC.: Biphenylsulfonamide endothelin receptor antagonists. 4. Discovery of N-[[2'-[[(4,5-dimethyl-3-isoxazolyl)amino]sulfonyl]-4-(2-oxazolyl)[1,1'-biphenyl]- 2-yl]methyl]-N,3,3-trimethylbutanamide (BMS-207940), a highly potent and orally active ET(A) selective antagonist. J Med Chem, Volume 46 (1), 2003";ChEMBL
MM475727;MM475727;COc1ccc2ccc(S(=O)(=O)NC(CCCNc3ccccn3)C(=O)N3CCC(C)CC3)cc2c1;GDANXLYNLCWKHK-VWLOTQADSA-N;510.66;4.04;44308650;;;CHEMBL302112;CACO;ECACO;25;0;"<a href=https://www.ebi.ac.uk/chembl/assay_report_card/CHEMBL656468/  target=_blank>CHEMBL656468</a>";;;;;;;;;-5.52;;;;;;;;;;;;10.1016/S0960-894X(00)80064-5;ChEMBL
MM475728;MM475728;CC1CCN(C(=O)C(CCCNc2cnccn2)NS(=O)(=O)c2ccc3ccccc3c2)CC1;LUYRHAKKGKFCME-QHCPKHFHSA-N;481.62;3.43;18657594;;;CHEMBL304592;CACO;ECACO;25;0;"<a href=https://www.ebi.ac.uk/chembl/assay_report_card/CHEMBL656468/  target=_blank>CHEMBL656468</a>";;;;;;;;;-4.85;;;;;;;;;;;;10.1016/S0960-894X(00)80064-5;ChEMBL
MM475732;MM475732;CC1CCN(C(=O)C(Cc2cc3c(N)nccc3s2)NS(=O)(=O)c2ccc3ccccc3c2)CC1;SEFSJIDRHBCMDE-UHFFFAOYSA-N;508.67;4.18;44328503;;;CHEMBL315892;CACO;ECACO;25;0;"<a href=https://www.ebi.ac.uk/chembl/assay_report_card/CHEMBL877667/  target=_blank>CHEMBL877667</a>";;;;;;;;;-4.93;;;;;;;;;;;;"Rewinkel JB, Lucas H, Smit MJ, Noach AB, van Dinther TG, Rood AM, Jenneboer AJ, van Boeckel CA.: Design, synthesis and testing of amino-bicycloaryl based orally bioavailable thrombin inhibitors. Bioorg Med Chem Lett, Volume 9 (19), 1999";ChEMBL
MM475734;MM475734;COc1ccc2ccc(S(=O)(=O)NC(Cc3cc4c(N)nccc4o3)C(=O)N3CCC(C)CC3)cc2c1;IVTCEZMAQSROIP-UHFFFAOYSA-N;522.63;3.72;44328622;;;CHEMBL316703;CACO;ECACO;25;0;"<a href=https://www.ebi.ac.uk/chembl/assay_report_card/CHEMBL877667/  target=_blank>CHEMBL877667</a>";;;;;;;;;-6.05;;;;;;;;;;;;"Rewinkel JB, Lucas H, Smit MJ, Noach AB, van Dinther TG, Rood AM, Jenneboer AJ, van Boeckel CA.: Design, synthesis and testing of amino-bicycloaryl based orally bioavailable thrombin inhibitors. Bioorg Med Chem Lett, Volume 9 (19), 1999";ChEMBL
MM475735;MM475735;COc1ccc2ccc(S(=O)(=O)NC(Cc3cc4c(N)nccc4s3)C(=O)N3CCC(C(C)=O)CC3)cc2c1;GNDOAXCVKPOVTI-UHFFFAOYSA-N;566.71;3.76;44328328;;;CHEMBL317076;CACO;ECACO;25;0;"<a href=https://www.ebi.ac.uk/chembl/assay_report_card/CHEMBL877667/  target=_blank>CHEMBL877667</a>";;;;;;;;;-5.64;;;;;;;;;;;;"Rewinkel JB, Lucas H, Smit MJ, Noach AB, van Dinther TG, Rood AM, Jenneboer AJ, van Boeckel CA.: Design, synthesis and testing of amino-bicycloaryl based orally bioavailable thrombin inhibitors. Bioorg Med Chem Lett, Volume 9 (19), 1999";ChEMBL
MM475736;MM475736;COc1cc(C(=O)NCC2CCN(c3ccncc3)CC2)cc(OCCc2ccc(Cl)cc2Cl)c1Cl;VPVZSERFJANUOF-UHFFFAOYSA-N;548.9;6.32;9937410;;;CHEMBL318890;CACO;ECACO;25;0;"<a href=https://www.ebi.ac.uk/chembl/assay_report_card/CHEMBL657446/  target=_blank>CHEMBL657446</a>";;;;;;;;;-7.29;;;;;;;;;;;;"Nazaré M, Matter H, Klingler O, Al-Obeidi F, Schreuder H, Zoller G, Czech J, Lorenz M, Dudda A, Peyman A, Nestler HP, Urmann M, Bauer A, Laux V, Wehner V, Will DW.: Novel factor Xa inhibitors based on a benzoic acid scaffold and incorporating a neutral P1 ligand. Bioorg Med Chem Lett, Volume 14 (11), 2004";ChEMBL
MM475737;MM475737;COc1cc2ccc(S(=O)(=O)NC(Cc3cc4c(N)nccc4s3)C(=O)N3CCC(C)CC3)cc2cc1OC;HTQPFCPNXGXUIQ-UHFFFAOYSA-N;568.72;4.2;44328525;;;CHEMBL328184;CACO;ECACO;25;0;"<a href=https://www.ebi.ac.uk/chembl/assay_report_card/CHEMBL877667/  target=_blank>CHEMBL877667</a>";;;;;;;;;-5.01;;;;;;;;;;;;"Rewinkel JB, Lucas H, Smit MJ, Noach AB, van Dinther TG, Rood AM, Jenneboer AJ, van Boeckel CA.: Design, synthesis and testing of amino-bicycloaryl based orally bioavailable thrombin inhibitors. Bioorg Med Chem Lett, Volume 9 (19), 1999";ChEMBL
MM475738;MM475738;CCC(C)C(NC(=O)C(CC(=O)O)NC(=O)C(CC(C)C)NC(=O)C(NC(C)=O)C(c1ccccc1)c1ccccc1)C(=O)NC(C(=O)NC(Cc1c[nH]c2ccccc12)C(=O)O)C(C)CC;XUMJJSAQQCTKAO-SRYIDKSASA-N;924.11;4.17;9897720;;;CHEMBL328942;CACO;ECACO;25;0;"<a href=https://www.ebi.ac.uk/chembl/assay_report_card/CHEMBL653931/  target=_blank>CHEMBL653931</a>";;;;;;;;;-5.48;;;;;;;;;;;;"Cody WL, He JX, Reily MD, Haleen SJ, Walker DM, Reyner EL, Stewart BH, Doherty AM.: Design of a potent combined pseudopeptide endothelin-A/endothelin-B receptor antagonist, Ac-DBhg16-Leu-Asp-Ile-[NMe]Ile-Trp21 (PD 156252): examination of its pharmacokinetic and spectral properties. J Med Chem, Volume 40 (14), 1997";ChEMBL
MM475739;MM475739;COc1cc(C)c(S(=O)(=O)NC(CC(=O)OC(C)(C)C)C(=O)NC(Cc2ccc3c(N)nccc3c2)C(=O)N2CCCCC2)c(C)c1C;;681.86;3.87;9831694;;;CHEMBL329908;CACO;ECACO;25;0;"<a href=https://www.ebi.ac.uk/chembl/assay_report_card/CHEMBL655613/  target=_blank>CHEMBL655613</a>";;;;;;;;;-5.3;;;;;;;;;;;;"Rewinkel JB, Lucas H, van Galen PJ, Noach AB, van Dinther TG, Rood AM, Jenneboer AJ, van Boeckel CA.: 1-Aminoisoquinoline as benzamidine isoster in the design and synthesis of orally active thrombin inhibitors. Bioorg Med Chem Lett, Volume 9 (5), 1999";ChEMBL
MM475739;MM475739;COc1cc(C)c(S(=O)(=O)NC(CC(=O)OC(C)(C)C)C(=O)NC(Cc2ccc3c(N)nccc3c2)C(=O)N2CCCCC2)c(C)c1C;;681.86;3.87;9831694;;;CHEMBL329908;CACO;ECACO;25;0;"<a href=https://www.ebi.ac.uk/chembl/assay_report_card/CHEMBL877667/  target=_blank>CHEMBL877667</a>";;;;;;;;;-5.3;;;;;;;;;;;;"Rewinkel JB, Lucas H, Smit MJ, Noach AB, van Dinther TG, Rood AM, Jenneboer AJ, van Boeckel CA.: Design, synthesis and testing of amino-bicycloaryl based orally bioavailable thrombin inhibitors. Bioorg Med Chem Lett, Volume 9 (19), 1999";ChEMBL
MM475741;MM475741;CCCCN1CCN(C(COCc2cc(C(F)(F)F)cc(C(F)(F)F)c2)c2ccccc2)CC1;AHZURDXLPGFUJZ-UHFFFAOYSA-N;488.52;6.4;44358317;;;CHEMBL336251;CACO;ECACO;25;0;"<a href=https://www.ebi.ac.uk/chembl/assay_report_card/CHEMBL656466/  target=_blank>CHEMBL656466</a>";;;;;;;;;-5.28;;;;;;;;;;;;"Genicot C, Christophe B, Collart P, Gillard M, Goossens L, Hénichart JP, Lassoie MA, Moureau F, Neuwels M, Nicolas JM, Pasau P, Quéré L, Ryckmans T, Stiernet F, Taverne T, Van Keulen BJ.: Discovery of orally bioavailable NK1 receptor antagonists. Bioorg Med Chem Lett, Volume 13 (3), 2003";ChEMBL
MM475742;MM475742;O=C(C(=O)N1CCN(C(=O)c2ccccc2)CC1)c1c[nH]c2ccccc12;GCCPYLCLTHXPRB-UHFFFAOYSA-N;361.4;2.34;506196;;;CHEMBL336293;CACO;ECACO;25;0;"<a href=https://www.ebi.ac.uk/chembl/assay_report_card/CHEMBL956793/  target=_blank>CHEMBL956793</a>";;;;;;;;;-4.64;;;;;;;;;;;;"Meanwell NA, Wallace OB, Fang H, Wang H, Deshpande M, Wang T, Yin Z, Zhang Z, Pearce BC, James J, Yeung KS, Qiu Z, Kim Wright JJ, Yang Z, Zadjura L, Tweedie DL, Yeola S, Zhao F, Ranadive S, Robinson BA, Gong YF, Wang HG, Spicer TP, Blair WS, Shi PY, Colonno RJ, Lin PF.: Inhibitors of HIV-1 attachment. Part 2: An initial survey of indole substitution patterns. Bioorg Med Chem Lett, Volume 19 (7), 2009";ChEMBL
MM475744;MM475744;CC1=CC(=O)N(Nc2nc(-c3cccs3)nc3cc(N(C)C)ccc23)C1=O;NFDSCEIXHOWVBA-UHFFFAOYSA-N;379.45;3.07;15435246;;;CHEMBL336770;CACO;ECACO;25;0;"<a href=https://www.ebi.ac.uk/chembl/assay_report_card/CHEMBL655617/  target=_blank>CHEMBL655617</a>";;;;;;;;;-5.85;;;;;;;;;;;;"Palanki MS, Erdman PE, Ren M, Suto M, Bennett BL, Manning A, Ransone L, Spooner C, Desai S, Ow A, Totsuka R, Tsao P, Toriumi W.: The design and synthesis of novel orally active inhibitors of AP-1 and NF-kappaB mediated transcriptional activation. SAR of in vitro and in vivo studies. Bioorg Med Chem Lett, Volume 13 (22), 2003";ChEMBL
MM475745;MM475745;CC1=CC(=O)N(Nc2nc(C(F)(F)F)nc3cc(N(C)C)ccc23)C1=O;JAQNJKSJWBJPRF-UHFFFAOYSA-N;365.32;2.36;44353402;;;CHEMBL337640;CACO;ECACO;25;0;"<a href=https://www.ebi.ac.uk/chembl/assay_report_card/CHEMBL655617/  target=_blank>CHEMBL655617</a>";;;;;;;;;-5.77;;;;;;;;;;;;"Palanki MS, Erdman PE, Ren M, Suto M, Bennett BL, Manning A, Ransone L, Spooner C, Desai S, Ow A, Totsuka R, Tsao P, Toriumi W.: The design and synthesis of novel orally active inhibitors of AP-1 and NF-kappaB mediated transcriptional activation. SAR of in vitro and in vivo studies. Bioorg Med Chem Lett, Volume 13 (22), 2003";ChEMBL
MM475747;MM475747;COc1ccc2nc(-c3cccs3)nc(NN3C(=O)C=C(C)C3=O)c2c1;WAPBQFRODQBNJI-UHFFFAOYSA-N;366.4;3.01;9907182;;;CHEMBL337665;CACO;ECACO;25;0;"<a href=https://www.ebi.ac.uk/chembl/assay_report_card/CHEMBL655617/  target=_blank>CHEMBL655617</a>";;;;;;;;;-5.79;;;;;;;;;;;;"Palanki MS, Erdman PE, Ren M, Suto M, Bennett BL, Manning A, Ransone L, Spooner C, Desai S, Ow A, Totsuka R, Tsao P, Toriumi W.: The design and synthesis of novel orally active inhibitors of AP-1 and NF-kappaB mediated transcriptional activation. SAR of in vitro and in vivo studies. Bioorg Med Chem Lett, Volume 13 (22), 2003";ChEMBL
MM475750;MM475750;Cc1cc(COc2ccc(NC(=O)C3NCCCC3C(=O)NO)cc2)c2ccccc2n1;JNLVNYQWIZOKGL-UNMCSNQZSA-N;434.5;2.93;44356644;;;CHEMBL341380;CACO;ECACO;25;0;"<a href=https://www.ebi.ac.uk/chembl/assay_report_card/CHEMBL655611/  target=_blank>CHEMBL655611</a>";;;;;;;;;-5.66;;;;;;;;;;;;"Xue CB, He X, Roderick J, Corbett RL, Duan JJ, Liu RQ, Covington MB, Qian M, Ribadeneira MD, Vaddi K, Christ DD, Newton RC, Trzaskos JM, Magolda RL, Wexler RR, Decicco CP.: Rational design, synthesis and structure-activity relationships of a cyclic succinate series of TNF-alpha converting enzyme inhibitors. Part 2: lead optimization. Bioorg Med Chem Lett, Volume 13 (24), 2003";ChEMBL
MM475751;MM475751;Cc1cc(COc2ccc(NC(=O)C3CN(C(=O)c4ccco4)CCC3C(=O)NO)cc2)c2ccccc2n1;DENDBTOOZOCPQJ-ZEQRLZLVSA-N;528.57;3.94;44357209;;;CHEMBL341817;CACO;ECACO;25;0;"<a href=https://www.ebi.ac.uk/chembl/assay_report_card/CHEMBL655611/  target=_blank>CHEMBL655611</a>";;;;;;;;;-6.7;;;;;;;;;;;;"Xue CB, He X, Roderick J, Corbett RL, Duan JJ, Liu RQ, Covington MB, Qian M, Ribadeneira MD, Vaddi K, Christ DD, Newton RC, Trzaskos JM, Magolda RL, Wexler RR, Decicco CP.: Rational design, synthesis and structure-activity relationships of a cyclic succinate series of TNF-alpha converting enzyme inhibitors. Part 2: lead optimization. Bioorg Med Chem Lett, Volume 13 (24), 2003";ChEMBL
MM475752;MM475752;O=C(O)CC1c2ccccc2C(=O)N(CC(=O)NCc2ccc(Nc3nc4ccccc4[nH]3)cc2)c2ccccc21;CBJXBILJNVPTJT-UHFFFAOYSA-N;545.6;5.19;;;;;CACO;ECACO;25;0;"<a href=https://www.ebi.ac.uk/chembl/assay_report_card/CHEMBL656464/  target=_blank>CHEMBL656464</a>";;;;;;;;;-5.8;;;;;;;;;;;;"Kling A, Backfisch G, Delzer J, Geneste H, Graef C, Holzenkamp U, Hornberger W, Lange UE, Lauterbach A, Mack H, Seitz W, Subkowski T.: Synthesis and SAR of N-substituted dibenzazepinone derivatives as novel potent and selective alpha(V)beta(3) antagonists. Bioorg Med Chem Lett, Volume 12 (3), 2002";ChEMBL
MM475753;MM475753;Cc1cc(COc2ccc(NC(=O)C3CCN(C(=O)C4CC4)CC3C(=O)NO)cc2)c2ccccc2n1;TZGDIJWAFCVLEH-ZEQRLZLVSA-N;502.57;3.44;44356969;;;CHEMBL342870;CACO;ECACO;25;0;"<a href=https://www.ebi.ac.uk/chembl/assay_report_card/CHEMBL655611/  target=_blank>CHEMBL655611</a>";;;;;;;;;-6.7;;;;;;;;;;;;"Xue CB, He X, Roderick J, Corbett RL, Duan JJ, Liu RQ, Covington MB, Qian M, Ribadeneira MD, Vaddi K, Christ DD, Newton RC, Trzaskos JM, Magolda RL, Wexler RR, Decicco CP.: Rational design, synthesis and structure-activity relationships of a cyclic succinate series of TNF-alpha converting enzyme inhibitors. Part 2: lead optimization. Bioorg Med Chem Lett, Volume 13 (24), 2003";ChEMBL
MM475754;MM475754;Cc1cc(COc2ccc(NC(=O)C3CCN(C(=O)c4ccco4)CC3C(=O)NO)cc2)c2ccccc2n1;FGMZHMTZHZNKCA-ZEQRLZLVSA-N;528.57;3.94;44356953;;;CHEMBL343548;CACO;ECACO;25;0;"<a href=https://www.ebi.ac.uk/chembl/assay_report_card/CHEMBL655611/  target=_blank>CHEMBL655611</a>";;;;;;;;;-7;;;;;;;;;;;;"Xue CB, He X, Roderick J, Corbett RL, Duan JJ, Liu RQ, Covington MB, Qian M, Ribadeneira MD, Vaddi K, Christ DD, Newton RC, Trzaskos JM, Magolda RL, Wexler RR, Decicco CP.: Rational design, synthesis and structure-activity relationships of a cyclic succinate series of TNF-alpha converting enzyme inhibitors. Part 2: lead optimization. Bioorg Med Chem Lett, Volume 13 (24), 2003";ChEMBL
MM475755;MM475755;O=C(O)CC1c2ccccc2C(=O)N(CC(=O)NC[C@H]2CC[C@H](Nc3nc4ccccc4[nH]3)CC2)c2ccccc21;YJWMMXDEDCMARP-FPCUACJBSA-N;551.65;4.92;;;;;CACO;ECACO;25;0;"<a href=https://www.ebi.ac.uk/chembl/assay_report_card/CHEMBL657447/  target=_blank>CHEMBL657447</a>";;;;;;;;;-5.57;;;;;;;;;;;;"Kling A, Backfisch G, Delzer J, Geneste H, Graef C, Holzenkamp U, Hornberger W, Lange UE, Lauterbach A, Mack H, Seitz W, Subkowski T.: Synthesis and SAR of N-substituted dibenzazepinone derivatives as novel potent and selective alpha(V)beta(3) antagonists. Bioorg Med Chem Lett, Volume 12 (3), 2002";ChEMBL
MM475756;MM475756;FC(F)(F)c1cc(COCC(c2ccccc2)N2CCN(CCCCc3nn[nH]n3)CC2)cc(C(F)(F)F)c1;VLROGTSVMJUONC-UHFFFAOYSA-N;556.56;5.14;10187704;;;CHEMBL344847;CACO;ECACO;25;0;"<a href=https://www.ebi.ac.uk/chembl/assay_report_card/CHEMBL656466/  target=_blank>CHEMBL656466</a>";;;;;;;;;-5.59;;;;;;;;;;;;"Genicot C, Christophe B, Collart P, Gillard M, Goossens L, Hénichart JP, Lassoie MA, Moureau F, Neuwels M, Nicolas JM, Pasau P, Quéré L, Ryckmans T, Stiernet F, Taverne T, Van Keulen BJ.: Discovery of orally bioavailable NK1 receptor antagonists. Bioorg Med Chem Lett, Volume 13 (3), 2003";ChEMBL
MM475758;MM475758;N=C(N)c1cccc(-n2nc(C(F)(F)F)cc2C(=O)Nc2ncc(-c3ccccc3S(N)(=O)=O)cn2)c1;CMCYVWKFRRVLKG-UHFFFAOYSA-N;530.49;2.53;;;;;CACO;ECACO;25;0;"<a href=https://www.ebi.ac.uk/chembl/assay_report_card/CHEMBL635761/  target=_blank>CHEMBL635761</a>";;;;;;;;;-7;;;;;;;;;;;;"Pinto DJ, Orwat MJ, Wang S, Fevig JM, Quan ML, Amparo E, Cacciola J, Rossi KA, Alexander RS, Smallwood AM, Luettgen JM, Liang L, Aungst BJ, Wright MR, Knabb RM, Wong PC, Wexler RR, Lam PY.: Discovery of 1-[3-(aminomethyl)phenyl]-N-3-fluoro-2'-(methylsulfonyl)-[1,1'-biphenyl]-4-yl]-3-(trifluoromethyl)-1H-pyrazole-5-carboxamide (DPC423), a highly potent, selective, and orally bioavailable inhibitor of blood coagulation factor Xa. J Med Chem, Volume 44 (4), 2001";ChEMBL
MM475759;MM475759;c1ccc(Cn2cnc3ccccc32)cc1;MNEIJGDSFRHGMS-UHFFFAOYSA-N;208.26;3.08;563347;;;CHEMBL347547;CACO;ECACO;25;0;"<a href=https://www.ebi.ac.uk/chembl/assay_report_card/CHEMBL619363/  target=_blank>CHEMBL619363</a>";;;;;;;;;-4.15;;;;;;;;;;;;"Fichert T, Yazdanian M, Proudfoot JR.: A structure-permeability study of small drug-like molecules. Bioorg Med Chem Lett, Volume 13 (4), 2003";ChEMBL
MM475761;MM475761;O=C(O)Cc1ccc(Cn2cccn2)cc1;FGOUWZMAKYNJBA-UHFFFAOYSA-N;216.24;1.56;10262749;;;CHEMBL348747;CACO;ECACO;25;0;"<a href=https://www.ebi.ac.uk/chembl/assay_report_card/CHEMBL619363/  target=_blank>CHEMBL619363</a>";;;;;;;;;-5.54;;;;;;;;;;;;"Fichert T, Yazdanian M, Proudfoot JR.: A structure-permeability study of small drug-like molecules. Bioorg Med Chem Lett, Volume 13 (4), 2003";ChEMBL
MM475763;MM475763;O=C(O)c1cccc(Cc2ncccn2)c1;CZXRPFHLIMKLEM-UHFFFAOYSA-N;214.22;1.77;44375668;;;CHEMBL349286;CACO;ECACO;25;0;"<a href=https://www.ebi.ac.uk/chembl/assay_report_card/CHEMBL619363/  target=_blank>CHEMBL619363</a>";;;;;;;;;-5.21;;;;;;;;;;;;"Fichert T, Yazdanian M, Proudfoot JR.: A structure-permeability study of small drug-like molecules. Bioorg Med Chem Lett, Volume 13 (4), 2003";ChEMBL
Furosemide;MM00083;NS(=O)(=O)c1cc(C(=O)O)c(NCc2ccco2)cc1Cl;ZZUFCTLCJUWOSV-UHFFFAOYSA-N;330.75;1.89;3440;DB00695;FUN;CHEMBL35;CACO;ECACO;25;0;"<a href=https://www.ebi.ac.uk/chembl/assay_report_card/CHEMBL840610/  target=_blank>CHEMBL840610</a>";;;;;;;;;-6.41;;;;;;;;;;;;"Refsgaard HH, Jensen BF, Brockhoff PB, Padkjaer SB, Guldbrandt M, Christensen MS.: In silico prediction of membrane permeability from calculated molecular parameters. J Med Chem, Volume 48 (3), 2005";ChEMBL
MM475764;MM475764;Cc1c(C)c(S(=O)(=O)NCC(=O)NC(Cc2ccc3c(N)nccc3c2)C(=O)N2CCCCC2)c(C)c2c1OC(C)(C)CC2;ASSJINMPZYFYOZ-UHFFFAOYSA-N;621.8;3.86;22665632;;;CHEMBL350114;CACO;ECACO;25;0;"<a href=https://www.ebi.ac.uk/chembl/assay_report_card/CHEMBL655613/  target=_blank>CHEMBL655613</a>";;;;;;;;;-5.43;;;;;;;;;;;;"Rewinkel JB, Lucas H, van Galen PJ, Noach AB, van Dinther TG, Rood AM, Jenneboer AJ, van Boeckel CA.: 1-Aminoisoquinoline as benzamidine isoster in the design and synthesis of orally active thrombin inhibitors. Bioorg Med Chem Lett, Volume 9 (5), 1999";ChEMBL
MM475766;MM475766;CCC12CCN(CC3(O)CC3)C(Cc3ccc(O)cc31)C2(C)C;ZDXGFIXMPOUDFF-UHFFFAOYSA-N;315.46;3.22;1223;;;CHEMBL350384;CACO;ECACO;25;0;"<a href=https://www.ebi.ac.uk/chembl/assay_report_card/CHEMBL1074672/  target=_blank>CHEMBL1074672</a>";;;;;;;;;-5.1;;;;;;;;;;;;"Du-Cuny L, Song Z, Moses S, Powis G, Mash EA, Meuillet EJ, Zhang S.: Computational modeling of novel inhibitors targeting the Akt pleckstrin homology domain. Bioorg Med Chem, Volume 17 (19), 2009";ChEMBL
MM475768;MM475768;NCc1cccc(Cc2ncccn2)c1;YLFFHNIXEICBHR-UHFFFAOYSA-N;199.26;1.53;44375630;;;CHEMBL352209;CACO;ECACO;25;0;"<a href=https://www.ebi.ac.uk/chembl/assay_report_card/CHEMBL619363/  target=_blank>CHEMBL619363</a>";;;;;;;;;-4.6;;;;;;;;;;;;"Fichert T, Yazdanian M, Proudfoot JR.: A structure-permeability study of small drug-like molecules. Bioorg Med Chem Lett, Volume 13 (4), 2003";ChEMBL
MM475769;MM475769;NC(=O)c1cccc(Cn2cnc3ccccc32)c1;UBHDDHSBVGWOJJ-UHFFFAOYSA-N;251.29;2.18;44375579;;;CHEMBL352888;CACO;ECACO;25;0;"<a href=https://www.ebi.ac.uk/chembl/assay_report_card/CHEMBL619363/  target=_blank>CHEMBL619363</a>";;;;;;;;;-4.6;;;;;;;;;;;;"Fichert T, Yazdanian M, Proudfoot JR.: A structure-permeability study of small drug-like molecules. Bioorg Med Chem Lett, Volume 13 (4), 2003";ChEMBL
MM475770;MM475770;CCC(C)C(NC(=O)C(CC(O)C(CC1CCCCC1)NC(=O)CC(C)(C)C)C(C)C)C(=O)NCc1ccccn1;RLQUQIUJPBZNMI-OQXVLSAPSA-N;572.84;5.14;44379938;;;CHEMBL352967;CACO;ECACO;25;0;"<a href=https://www.ebi.ac.uk/chembl/assay_report_card/CHEMBL633586/  target=_blank>CHEMBL633586</a>";;;;;;;;;-4.94;;;;;;;;;;;;10.1016/S0960-894X(00)80673-3;ChEMBL
MM475771;MM475771;CC(C)[C@H](NC(=O)c1ccccn1)C(=O)N[C@@H](Cc1ccccc1)[C@@H](O)CN[C@@H](Cc1ccc(-c2ccccc2)cc1)C(N)=O;QBBPIOZJQQZCKA-YRCZKMHPSA-N;607.76;3.28;;;;;CACO;ECACO;25;0;"<a href=https://www.ebi.ac.uk/chembl/assay_report_card/CHEMBL655616/  target=_blank>CHEMBL655616</a>";;;;;;;;;-4.99;;;;;;;;;;;;"Nöteberg D, Hamelink E, Hultén J, Wahlgren M, Vrang L, Samuelsson B, Hallberg A.: Design and synthesis of plasmepsin I and plasmepsin II inhibitors with activity in Plasmodium falciparum-infected cultured human erythrocytes. J Med Chem, Volume 46 (5), 2003";ChEMBL
MM475772;MM475772;CS(=O)(=O)c1ccccc1-c1ccc(NC(=O)c2cc(C(F)(F)F)nn2-c2cccc(C(=N)N)c2)c(F)c1;ZLJCFXPKCSWCGG-UHFFFAOYSA-N;545.52;4.64;;;;;CACO;ECACO;25;0;"<a href=https://www.ebi.ac.uk/chembl/assay_report_card/CHEMBL635761/  target=_blank>CHEMBL635761</a>";;;;;;;;;-6.7;;;;;;;;;;;;"Pinto DJ, Orwat MJ, Wang S, Fevig JM, Quan ML, Amparo E, Cacciola J, Rossi KA, Alexander RS, Smallwood AM, Luettgen JM, Liang L, Aungst BJ, Wright MR, Knabb RM, Wong PC, Wexler RR, Lam PY.: Discovery of 1-[3-(aminomethyl)phenyl]-N-3-fluoro-2'-(methylsulfonyl)-[1,1'-biphenyl]-4-yl]-3-(trifluoromethyl)-1H-pyrazole-5-carboxamide (DPC423), a highly potent, selective, and orally bioavailable inhibitor of blood coagulation factor Xa. J Med Chem, Volume 44 (4), 2001";ChEMBL
MM475773;MM475773;Cc1cc(COc2ccc(S(=O)(=O)CC3CCN(C)CC3C(=O)NO)cc2)c2ccccc2n1;UJCQVXJYOKSWGB-UHFFFAOYSA-N;483.59;2.97;18002745;;;CHEMBL359625;CACO;ECACO;25;0;"<a href=https://www.ebi.ac.uk/chembl/assay_report_card/CHEMBL825963/  target=_blank>CHEMBL825963</a>";;;;;;;;;-6.7;;;;;;;;;;;;"Xue CB, Chen XT, He X, Roderick J, Corbett RL, Ghavimi B, Liu RQ, Covington MB, Qian M, Ribadeneira MD, Vaddi K, Trzaskos J, Newton RC, Duan JJ, Decicco CP.: Synthesis and structure-activity relationship of a novel sulfone series of TNF-alpha converting enzyme inhibitors. Bioorg Med Chem Lett, Volume 14 (17), 2004";ChEMBL
MM475774;MM475774;Nc1noc2ccc(-n3nc(C(F)(F)F)cc3C(=O)Nc3ccc(C(=O)N4CCCC4)cc3F)cc12;XFHPQLVMJVEBAR-UHFFFAOYSA-N;502.43;4.24;10164065;;;CHEMBL359695;CACO;ECACO;25;0;"<a href=https://www.ebi.ac.uk/chembl/assay_report_card/CHEMBL838209/  target=_blank>CHEMBL838209</a>";;;;;;;;;-4.6;;;;;;;;;;;;"Quan ML, Lam PY, Han Q, Pinto DJ, He MY, Li R, Ellis CD, Clark CG, Teleha CA, Sun JH, Alexander RS, Bai S, Luettgen JM, Knabb RM, Wong PC, Wexler RR.: Discovery of 1-(3'-aminobenzisoxazol-5'-yl)-3-trifluoromethyl-N-[2-fluoro-4- [(2'-dimethylaminomethyl)imidazol-1-yl]phenyl]-1H-pyrazole-5-carboxyamide hydrochloride (razaxaban), a highly potent, selective, and orally bioavailable factor Xa inhibitor. J Med Chem, Volume 48 (6), 2005";ChEMBL
MM475775;MM475775;O=C(O)c1cnc(N(C(=O)c2ccc(OCc3cccc(C(F)(F)F)c3)cc2)C2CCCCC2)s1;KVOPMRICDIBARO-UHFFFAOYSA-N;504.53;6.42;5273742;;;CHEMBL360033;CACO;ECACO;25;0;"<a href=https://www.ebi.ac.uk/chembl/assay_report_card/CHEMBL838441/  target=_blank>CHEMBL838441</a>";;;;;;;;;-4.83;;;;;;;;;;;;"Shipps GW, Deng Y, Wang T, Popovici-Muller J, Curran PJ, Rosner KE, Cooper AB, Girijavallabhan V, Butkiewicz N, Cable M.: Aminothiazole inhibitors of HCV RNA polymerase. Bioorg Med Chem Lett, Volume 15 (1), 2005";ChEMBL
MM475776;MM475776;C[C@H]1[C@H](OC(=O)CCC(=O)O)O[C@@H]2O[C@@]3(C)CC[C@H]4[C@H](C)CC[C@@H]1[C@@]24OO3;FIHJKUPKCHIPAT-AHIGJZGOSA-N;384.43;2.6;;;;;CACO;ECACO;25;0;"<a href=https://www.ebi.ac.uk/chembl/assay_report_card/CHEMBL1074672/  target=_blank>CHEMBL1074672</a>";;;;;;;;;-5.4;;;;;;;;;;;;"Du-Cuny L, Song Z, Moses S, Powis G, Mash EA, Meuillet EJ, Zhang S.: Computational modeling of novel inhibitors targeting the Akt pleckstrin homology domain. Bioorg Med Chem, Volume 17 (19), 2009";ChEMBL
MM475777;MM475777;CC(Cc1c[nH]c2c(OS(C)(=O)=O)cccc12)NCC(O)c1cccc(N(C)S(=O)(=O)c2ccccc2)c1;KLSDKCKHWHCJSM-CLOONOSVSA-N;557.69;3.59;44392559;;;CHEMBL361577;CACO;ECACO;25;0;"<a href=https://www.ebi.ac.uk/chembl/assay_report_card/CHEMBL838212/  target=_blank>CHEMBL838212</a>";;;;;;;;;-5.33;;;;;;;;;;;;"Sawa M, Mizuno K, Harada H, Tateishi H, Arai Y, Suzuki S, Oue M, Tsujiuchi H, Furutani Y, Kato S.: Tryptamine-based human beta3-adrenergic receptor agonists. Part 3: improved oral bioavailability via modification of the sulfonamide moiety. Bioorg Med Chem Lett, Volume 15 (4), 2005";ChEMBL
MM475778;MM475778;CC(Cc1c[nH]c2c(OS(C)(=O)=O)cccc12)NCC(O)c1cccc(NCc2ccccc2)c1;LGHCNFZLEQZRMA-CLOONOSVSA-N;493.63;4.37;44392519;;;CHEMBL362293;CACO;ECACO;25;0;"<a href=https://www.ebi.ac.uk/chembl/assay_report_card/CHEMBL838212/  target=_blank>CHEMBL838212</a>";;;;;;;;;-5.05;;;;;;;;;;;;"Sawa M, Mizuno K, Harada H, Tateishi H, Arai Y, Suzuki S, Oue M, Tsujiuchi H, Furutani Y, Kato S.: Tryptamine-based human beta3-adrenergic receptor agonists. Part 3: improved oral bioavailability via modification of the sulfonamide moiety. Bioorg Med Chem Lett, Volume 15 (4), 2005";ChEMBL
MM475779;MM475779;CC(=O)N1CCCC1(CC(=O)NO)CS(=O)(=O)c1ccc(OCc2cc(C)nc3ccccc23)cc1;SGKYEMLYQFTLEW-UHFFFAOYSA-N;511.6;3.17;10142326;;;CHEMBL363261;CACO;ECACO;25;0;"<a href=https://www.ebi.ac.uk/chembl/assay_report_card/CHEMBL825963/  target=_blank>CHEMBL825963</a>";;;;;;;;;-6.22;;;;;;;;;;;;"Xue CB, Chen XT, He X, Roderick J, Corbett RL, Ghavimi B, Liu RQ, Covington MB, Qian M, Ribadeneira MD, Vaddi K, Trzaskos J, Newton RC, Duan JJ, Decicco CP.: Synthesis and structure-activity relationship of a novel sulfone series of TNF-alpha converting enzyme inhibitors. Bioorg Med Chem Lett, Volume 14 (17), 2004";ChEMBL
MM475780;MM475780;CCCCN1CCC(C(=O)NO)C(CS(=O)(=O)c2ccc(OCc3cc(C)nc4ccccc34)cc2)C1;IGCXXFVEWDCCKV-UHFFFAOYSA-N;525.67;4.14;18002775;;;CHEMBL363451;CACO;ECACO;25;0;"<a href=https://www.ebi.ac.uk/chembl/assay_report_card/CHEMBL825963/  target=_blank>CHEMBL825963</a>";;;;;;;;;-5.8;;;;;;;;;;;;"Xue CB, Chen XT, He X, Roderick J, Corbett RL, Ghavimi B, Liu RQ, Covington MB, Qian M, Ribadeneira MD, Vaddi K, Trzaskos J, Newton RC, Duan JJ, Decicco CP.: Synthesis and structure-activity relationship of a novel sulfone series of TNF-alpha converting enzyme inhibitors. Bioorg Med Chem Lett, Volume 14 (17), 2004";ChEMBL
MM475781;MM475781;Cn1nnnc1-c1cccc(NC(=O)NC2CCCCC2CN2CCCC(Cc3ccc(F)cc3)C2)c1;HEXTXRMVMKIBQR-RZPFDVGOSA-N;505.64;4.65;11272103;;;CHEMBL363840;CACO;ECACO;25;0;"<a href=https://www.ebi.ac.uk/chembl/assay_report_card/CHEMBL851906/  target=_blank>CHEMBL851906</a>";;;;;;;;;-5.7;;;;;;;;;;;;"De Lucca GV, Kim UT, Vargo BJ, Duncia JV, Santella JB, Gardner DS, Zheng C, Liauw A, Wang Z, Emmett G, Wacker DA, Welch PK, Covington M, Stowell NC, Wadman EA, Das AM, Davies P, Yeleswaram S, Graden DM, Solomon KA, Newton RC, Trainor GL, Decicco CP, Ko SS.: Discovery of CC chemokine receptor-3 (CCR3) antagonists with picomolar potency. J Med Chem, Volume 48 (6), 2005";ChEMBL
MM475782;MM475782;C#CN1CCC(C(=O)NO)C(CS(=O)(=O)c2ccc(OCc3cc(C)nc4ccccc34)cc2)C1;VACPECYZKUSTIV-UHFFFAOYSA-N;493.59;2.93;44393516;;;CHEMBL363968;CACO;ECACO;25;0;"<a href=https://www.ebi.ac.uk/chembl/assay_report_card/CHEMBL825963/  target=_blank>CHEMBL825963</a>";;;;;;;;;-5.89;;;;;;;;;;;;"Xue CB, Chen XT, He X, Roderick J, Corbett RL, Ghavimi B, Liu RQ, Covington MB, Qian M, Ribadeneira MD, Vaddi K, Trzaskos J, Newton RC, Duan JJ, Decicco CP.: Synthesis and structure-activity relationship of a novel sulfone series of TNF-alpha converting enzyme inhibitors. Bioorg Med Chem Lett, Volume 14 (17), 2004";ChEMBL
MM475783;MM475783;Cc1cc(COc2ccc(S(=O)(=O)CC3(CC(=O)NO)CCCN3)cc2)c2ccccc2n1;TUZYRFJHUHCUNQ-UHFFFAOYSA-N;469.56;2.91;9825920;;;CHEMBL364589;CACO;ECACO;25;0;"<a href=https://www.ebi.ac.uk/chembl/assay_report_card/CHEMBL825963/  target=_blank>CHEMBL825963</a>";;;;;;;;;-6.4;;;;;;;;;;;;"Xue CB, Chen XT, He X, Roderick J, Corbett RL, Ghavimi B, Liu RQ, Covington MB, Qian M, Ribadeneira MD, Vaddi K, Trzaskos J, Newton RC, Duan JJ, Decicco CP.: Synthesis and structure-activity relationship of a novel sulfone series of TNF-alpha converting enzyme inhibitors. Bioorg Med Chem Lett, Volume 14 (17), 2004";ChEMBL
MM475784;MM475784;CC(Cc1c[nH]c2c(OS(C)(=O)=O)cccc12)NCC(O)c1cccc(CS(=O)(=O)c2ccccc2)c1;YIAUQEMHLVUETN-CLOONOSVSA-N;542.68;3.73;44392499;;;CHEMBL365669;CACO;ECACO;25;0;"<a href=https://www.ebi.ac.uk/chembl/assay_report_card/CHEMBL825373/  target=_blank>CHEMBL825373</a>";;;;;;;;;-6.05;;;;;;;;;;;;"Sawa M, Mizuno K, Harada H, Tateishi H, Arai Y, Suzuki S, Oue M, Tsujiuchi H, Furutani Y, Kato S.: Tryptamine-based human beta3-adrenergic receptor agonists. Part 3: improved oral bioavailability via modification of the sulfonamide moiety. Bioorg Med Chem Lett, Volume 15 (4), 2005";ChEMBL
MM475785;MM475785;Cc1cc(COc2ccc(S(=O)(=O)CC3(CC(=O)NO)CCCCC3)cc2)c2ccccc2n1;UXWAVVXCMUJGHD-UHFFFAOYSA-N;482.6;4.74;10140776;;;CHEMBL365905;CACO;ECACO;25;0;"<a href=https://www.ebi.ac.uk/chembl/assay_report_card/CHEMBL825963/  target=_blank>CHEMBL825963</a>";;;;;;;;;-4.66;;;;;;;;;;;;"Xue CB, Chen XT, He X, Roderick J, Corbett RL, Ghavimi B, Liu RQ, Covington MB, Qian M, Ribadeneira MD, Vaddi K, Trzaskos J, Newton RC, Duan JJ, Decicco CP.: Synthesis and structure-activity relationship of a novel sulfone series of TNF-alpha converting enzyme inhibitors. Bioorg Med Chem Lett, Volume 14 (17), 2004";ChEMBL
MM475786;MM475786;CNCc1nccn1-c1ccc(NC(=O)c2cc(C(F)(F)F)nn2-c2ccc3onc(N)c3c2)c(F)c1;XHPFWZMUFYSOAQ-UHFFFAOYSA-N;514.44;3.91;10239342;;;CHEMBL367954;CACO;ECACO;25;0;"<a href=https://www.ebi.ac.uk/chembl/assay_report_card/CHEMBL838209/  target=_blank>CHEMBL838209</a>";;;;;;;;;-6.7;;;;;;;;;;;;"Quan ML, Lam PY, Han Q, Pinto DJ, He MY, Li R, Ellis CD, Clark CG, Teleha CA, Sun JH, Alexander RS, Bai S, Luettgen JM, Knabb RM, Wong PC, Wexler RR.: Discovery of 1-(3'-aminobenzisoxazol-5'-yl)-3-trifluoromethyl-N-[2-fluoro-4- [(2'-dimethylaminomethyl)imidazol-1-yl]phenyl]-1H-pyrazole-5-carboxyamide hydrochloride (razaxaban), a highly potent, selective, and orally bioavailable factor Xa inhibitor. J Med Chem, Volume 48 (6), 2005";ChEMBL
MM475787;MM475787;Nc1noc2ccc(-n3nc(C(F)(F)F)cc3C(=O)Nc3ccc(-c4ccncc4S(N)(=O)=O)cc3F)cc12;SIRYBZWAPDLBNE-UHFFFAOYSA-N;561.48;3.72;11468062;;;CHEMBL368285;CACO;ECACO;25;0;"<a href=https://www.ebi.ac.uk/chembl/assay_report_card/CHEMBL838209/  target=_blank>CHEMBL838209</a>";;;;;;;;;-6.27;;;;;;;;;;;;"Quan ML, Lam PY, Han Q, Pinto DJ, He MY, Li R, Ellis CD, Clark CG, Teleha CA, Sun JH, Alexander RS, Bai S, Luettgen JM, Knabb RM, Wong PC, Wexler RR.: Discovery of 1-(3'-aminobenzisoxazol-5'-yl)-3-trifluoromethyl-N-[2-fluoro-4- [(2'-dimethylaminomethyl)imidazol-1-yl]phenyl]-1H-pyrazole-5-carboxyamide hydrochloride (razaxaban), a highly potent, selective, and orally bioavailable factor Xa inhibitor. J Med Chem, Volume 48 (6), 2005";ChEMBL
MM475788;MM475788;COc1cccc(-n2c(=O)n(Cc3c(F)cccc3Br)c(=O)n(CC(N)c3ccccc3)c2=O)c1F;JPJCBKFCBLFFDG-IBGZPJMESA-N;559.37;2.96;11671279;;;CHEMBL368511;CACO;ECACO;25;0;"<a href=https://www.ebi.ac.uk/chembl/assay_report_card/CHEMBL851904/  target=_blank>CHEMBL851904</a>";;;;;;;;;-4.86;;;;;;;;;;;;"Guo Z, Wu D, Zhu YF, Tucci FC, Regan CF, Rowbottom MW, Struthers RS, Xie Q, Reijmers S, Sullivan SK, Sai Y, Chen C.: Structure-activity relationships of 1,3,5-triazine-2,4,6-triones as human gonadotropin-releasing hormone receptor antagonists. Bioorg Med Chem Lett, Volume 15 (16), 2005";ChEMBL
MM475792;MM475792;Cc1cc(C(=O)Nc2ccc(-c3ccccc3S(N)(=O)=O)cc2)n(-c2cccc(C(=N)N)c2)n1;APFKCRTWNKCURW-UHFFFAOYSA-N;474.55;3.03;;;;;CACO;ECACO;25;0;"<a href=https://www.ebi.ac.uk/chembl/assay_report_card/CHEMBL638021/  target=_blank>CHEMBL638021</a>";;;;;;;;;-6.52;;;;;;;;;;;;"Pruitt JR, Pinto DJ, Galemmo RA, Alexander RS, Rossi KA, Wells BL, Drummond S, Bostrom LL, Burdick D, Bruckner R, Chen H, Smallwood A, Wong PC, Wright MR, Bai S, Luettgen JM, Knabb RM, Lam PY, Wexler RR.: Discovery of 1-(2-aminomethylphenyl)-3-trifluoromethyl-N- [3-fluoro-2'-(aminosulfonyl)[1,1'-biphenyl)]-4-yl]-1H-pyrazole-5-carboxyamide (DPC602), a potent, selective, and orally bioavailable factor Xa inhibitor(1). J Med Chem, Volume 46 (25), 2003";ChEMBL
MM475793;MM475793;O=C(O)c1ccc(-c2ccc(Cl)cc2COc2ccc(-c3nc4cc(C(=O)O)ccc4n3C3CCCCC3)cc2)cc1;KCQLAJFCUNNGOR-UHFFFAOYSA-N;581.07;8.5;11847468;;;CHEMBL373930;CACO;ECACO;25;0;"<a href=https://www.ebi.ac.uk/chembl/assay_report_card/CHEMBL866683/  target=_blank>CHEMBL866683</a>";;;;;;;;;-4.63;;;;;;;;;;;;"Hirashima S, Suzuki T, Ishida T, Noji S, Yata S, Ando I, Komatsu M, Ikeda S, Hashimoto H.: Benzimidazole derivatives bearing substituted biphenyls as hepatitis C virus NS5B RNA-dependent RNA polymerase inhibitors: structure-activity relationship studies and identification of a potent and highly selective inhibitor JTK-109. J Med Chem, Volume 49 (15), 2006";ChEMBL
MM475794;MM475794;CN1C(=O)NC(=O)C12Cc1ccc(NC(=O)Cn3c(=O)n(-c4cc(F)cc(F)c4)c4ccccc43)cc1C2;MLXHPMSHFIOVTD-HHHXNRCGSA-N;517.49;2.73;44420231;;;CHEMBL374666;CACO;ECACO;25;0;"<a href=https://www.ebi.ac.uk/chembl/assay_report_card/CHEMBL911974/  target=_blank>CHEMBL911974</a>";;;;;;;;;-4.82;;;;;;;;;;;;"Bell IM, Bednar RA, Fay JF, Gallicchio SN, Hochman JH, McMasters DR, Miller-Stein C, Moore EL, Mosser SD, Pudvah NT, Quigley AG, Salvatore CA, Stump CA, Theberge CR, Wong BK, Zartman CB, Zhang XF, Kane SA, Graham SL, Vacca JP, Williams TM.: Identification of novel, orally bioavailable spirohydantoin CGRP receptor antagonists. Bioorg Med Chem Lett, Volume 16 (24), 2006";ChEMBL
MM475796;MM475796;CN1C(=O)NC(=O)C12Cc1ccc(NC(=O)Cn3c(=O)n(C4CCS(=O)(=O)C4)c4ccccc43)cc1C2;MUJODSURWGPHBP-IXXGTQFESA-N;523.57;0.82;44420261;;;CHEMBL375224;CACO;ECACO;25;0;"<a href=https://www.ebi.ac.uk/chembl/assay_report_card/CHEMBL911974/  target=_blank>CHEMBL911974</a>";;;;;;;;;-6.52;;;;;;;;;;;;"Bell IM, Bednar RA, Fay JF, Gallicchio SN, Hochman JH, McMasters DR, Miller-Stein C, Moore EL, Mosser SD, Pudvah NT, Quigley AG, Salvatore CA, Stump CA, Theberge CR, Wong BK, Zartman CB, Zhang XF, Kane SA, Graham SL, Vacca JP, Williams TM.: Identification of novel, orally bioavailable spirohydantoin CGRP receptor antagonists. Bioorg Med Chem Lett, Volume 16 (24), 2006";ChEMBL
MM475797;MM475797;CCC(C)C(NC(=O)C(CCCN=C(N)N)NC(=O)C(CC(C)C)NC(=O)CN)C(=O)NC(CC(C)C)C(=O)NC(CC(C)C)C(=O)NC(CC(C)C)C(=O)NC(CCCCN)C(=O)NC(C(=O)O)C(C)C;WOGFEAZHIIFRBL-VQLBKKHMSA-N;1024.36;0.19;10418555;;;CHEMBL375273;CACO;ECACO;25;0;"<a href=https://www.ebi.ac.uk/chembl/assay_report_card/CHEMBL905629/  target=_blank>CHEMBL905629</a>";;;;;;;;;-7.38;;;;;;;;;;;;"Chan E, Amon M, Marano RJ, Wimmer N, Kearns PS, Manolios N, Rakoczy PE, Toth I.: Novel cationic lipophilic peptides for oligodeoxynucleotide delivery. Bioorg Med Chem, Volume 15 (12), 2007";ChEMBL
MM475798;MM475798;CN1C(=O)NC(=O)C12Cc1ccc(NC(=O)Cn3c(=O)n(-c4nccs4)c4ccccc43)cc1C2;SXMSIUHHVAMQCA-XMMPIXPASA-N;488.53;1.91;44420236;;;CHEMBL375533;CACO;ECACO;25;0;"<a href=https://www.ebi.ac.uk/chembl/assay_report_card/CHEMBL911974/  target=_blank>CHEMBL911974</a>";;;;;;;;;-4.89;;;;;;;;;;;;"Bell IM, Bednar RA, Fay JF, Gallicchio SN, Hochman JH, McMasters DR, Miller-Stein C, Moore EL, Mosser SD, Pudvah NT, Quigley AG, Salvatore CA, Stump CA, Theberge CR, Wong BK, Zartman CB, Zhang XF, Kane SA, Graham SL, Vacca JP, Williams TM.: Identification of novel, orally bioavailable spirohydantoin CGRP receptor antagonists. Bioorg Med Chem Lett, Volume 16 (24), 2006";ChEMBL
MM475801;MM475801;Cc1cc(OCCCON=C(N)N)cc(OS(=O)(=O)c2ccccc2S(C)(=O)=O)c1;CFBZFBMYIQZREO-UHFFFAOYSA-N;457.53;1.14;9955758;;;CHEMBL37637;CACO;ECACO;25;0;"<a href=https://www.ebi.ac.uk/chembl/assay_report_card/CHEMBL696915/  target=_blank>CHEMBL696915</a>";;;;;;;;;-5.62;;;;;;;;;;;;"Tomczuk B, Lu T, Soll RM, Fedde C, Wang A, Murphy L, Crysler C, Dasgupta M, Eisennagel S, Spurlino J, Bone R.: Oxyguanidines: application to non-peptidic phenyl-based thrombin inhibitors. Bioorg Med Chem Lett, Volume 13 (8), 2003";ChEMBL
MM29821;MM29821;CCCS(=O)(=O)N1CCC(CNC(=O)c2ccc(Cl)cc2Cl)(C(=O)N2CCOCC2)CC1;FQNRAIQUCSDYQF-UHFFFAOYSA-N;506.45;2.4;11699068;;;CHEMBL376472;CACO;ECACO;25;0;"<a href=https://www.ebi.ac.uk/chembl/assay_report_card/CHEMBL909056/  target=_blank>CHEMBL909056</a>";;;;;;;;;-4.63;;;;;;;;;;;;"Zhao Z, O'Brien JA, Lemaire W, Williams DL, Jacobson MA, Sur C, Pettibone DJ, Tiller PR, Smith S, Hartman GD, Wolkenberg SE, Lindsley CW.: Synthesis and SAR of GlyT1 inhibitors derived from a series of N-((4-(morpholine-4-carbonyl)-1-(propylsulfonyl)piperidin-4-yl)methyl)benzamides. Bioorg Med Chem Lett, Volume 16 (23), 2006";ChEMBL
MM475803;MM475803;CCCc1nn(C)c2c(=O)[nH]c(-c3cc(C(C)=O)ccc3OCC)nc12;YJBDHZKAVGNHET-UHFFFAOYSA-N;354.41;3.29;135559102;;;CHEMBL377168;CACO;ECACO;25;0;"<a href=https://www.ebi.ac.uk/chembl/assay_report_card/CHEMBL860099/  target=_blank>CHEMBL860099</a>";;;;;;;;;-4.37;;;;;;;;;;;;"Allerton CM, Barber CG, Beaumont KC, Brown DG, Cole SM, Ellis D, Lane CA, Maw GN, Mount NM, Rawson DJ, Robinson CM, Street SD, Summerhill NW.: A novel series of potent and selective PDE5 inhibitors with potential for high and dose-independent oral bioavailability. J Med Chem, Volume 49 (12), 2006";ChEMBL
MM475804;MM475804;COc1ccc(-c2ccc(OCCN3CCC[C@H]3C(=O)O)c(Sc3cccc(F)c3)c2)cc1;LFGBKELOWUQGSN-QHCPKHFHSA-N;467.56;5.58;;;;;CACO;ECACO;25;0;"<a href=https://www.ebi.ac.uk/chembl/assay_report_card/CHEMBL862964/  target=_blank>CHEMBL862964</a>";;;;;;;;;-4.58;;;;;;;;;;;;"Smith G, Mikkelsen G, Eskildsen J, Bundgaard C.: The synthesis and SAR of 2-arylsulfanylphenyl-1-oxyalkylamino acids as GlyT-1 inhibitors. Bioorg Med Chem Lett, Volume 16 (15), 2006";ChEMBL
MM475806;MM475806;Nc1noc2ccc(-n3nc(C(F)(F)F)c4c3C(=O)N(c3ccc(-c5ccccc5CN5CCC(O)C5)cc3)CC4)cc12;DFRIQJHMGZBFOM-JOCHJYFZSA-N;588.59;5.05;6914623;;;CHEMBL378093;CACO;ECACO;25;0;"<a href=https://www.ebi.ac.uk/chembl/assay_report_card/CHEMBL868640/  target=_blank>CHEMBL868640</a>";;;;;;;;;-5.77;;;;;;;;;;;;"Pinto DJ, Orwat MJ, Quan ML, Han Q, Galemmo RA, Amparo E, Wells B, Ellis C, He MY, Alexander RS, Rossi KA, Smallwood A, Wong PC, Luettgen JM, Rendina AR, Knabb RM, Mersinger L, Kettner C, Bai S, He K, Wexler RR, Lam PY.: 1-[3-Aminobenzisoxazol-5'-yl]-3-trifluoromethyl-6-[2'-(3-(R)-hydroxy-N-pyrrolidinyl)methyl-[1,1']-biphen-4-yl]-1,4,5,6-tetrahydropyrazolo-[3,4-c]-pyridin-7-one (BMS-740808) a highly potent, selective, efficacious, and orally bioavailable inhibitor of blood coagulation factor Xa. Bioorg Med Chem Lett, Volume 16 (15), 2006";ChEMBL
MM475807;MM475807;CCCCOc1ncc(C(C)=O)cc1-c1nc2c(CC)n(CCN3CCOCC3)nc2c(=O)[nH]1;CNCUTWNMEWCOPN-UHFFFAOYSA-N;468.56;2.87;135487696;;;CHEMBL378130;CACO;ECACO;25;0;"<a href=https://www.ebi.ac.uk/chembl/assay_report_card/CHEMBL860099/  target=_blank>CHEMBL860099</a>";;;;;;;;;-4.43;;;;;;;;;;;;"Allerton CM, Barber CG, Beaumont KC, Brown DG, Cole SM, Ellis D, Lane CA, Maw GN, Mount NM, Rawson DJ, Robinson CM, Street SD, Summerhill NW.: A novel series of potent and selective PDE5 inhibitors with potential for high and dose-independent oral bioavailability. J Med Chem, Volume 49 (12), 2006";ChEMBL
MM475808;MM475808;CC(=O)NC(Cc1cnc[nH]1)C(=O)NC(Cc1ccccc1)C(=O)N1CC(OCc2ccc3ccccc3c2)CC1C(=O)NCCN=C(N)N;;681.8;0.91;44413879;;;CHEMBL378293;CACO;ECACO;25;0;"<a href=https://www.ebi.ac.uk/chembl/assay_report_card/CHEMBL854467/  target=_blank>CHEMBL854467</a>";;;;;;;;;-6;;;;;;;;;;;;"Tian X, Field TB, Switzer AG, Mazur AW, Ebetino FH, Wos JA, Berberich SM, Jayasinghe LR, Obringer CM, Dowty ME, Pinney BB, Farmer JA, Crossdoersen D, Sheldon RJ.: Design, synthesis, and evaluation of proline and pyrrolidine based melanocortin receptor agonists. A conformationally restricted dipeptide mimic approach. J Med Chem, Volume 49 (15), 2006";ChEMBL
MM475808;MM475808;CC(=O)NC(Cc1cnc[nH]1)C(=O)NC(Cc1ccccc1)C(=O)N1CC(OCc2ccc3ccccc3c2)CC1C(=O)NCCN=C(N)N;;681.8;0.91;44413879;;;CHEMBL378293;CACO;ECACO;25;0;"<a href=https://www.ebi.ac.uk/chembl/assay_report_card/CHEMBL854468/  target=_blank>CHEMBL854468</a>";;;;;;;;;-6.3;;;;;;;;;;;;"Tian X, Field TB, Switzer AG, Mazur AW, Ebetino FH, Wos JA, Berberich SM, Jayasinghe LR, Obringer CM, Dowty ME, Pinney BB, Farmer JA, Crossdoersen D, Sheldon RJ.: Design, synthesis, and evaluation of proline and pyrrolidine based melanocortin receptor agonists. A conformationally restricted dipeptide mimic approach. J Med Chem, Volume 49 (15), 2006";ChEMBL
MM475813;MM475813;CN(C(=O)c1ccncc1)c1ccc(C(O)(C(F)(F)F)C(F)(F)F)cc1;NKPNTUSJVYZWLM-UHFFFAOYSA-N;378.27;3.67;11710602;;;CHEMBL380364;CACO;ECACO;25;0;"<a href=https://www.ebi.ac.uk/chembl/assay_report_card/CHEMBL859663/  target=_blank>CHEMBL859663</a>";;;;;;;;;-4.39;;;;;;;;;;;;"Cheng JF, Chen M, Wallace D, Tith S, Haramura M, Liu B, Mak CC, Arrhenius T, Reily S, Brown S, Thorn V, Harmon C, Barr R, Dyck JR, Lopaschuk GD, Nadzan AM.: Synthesis and structure-activity relationship of small-molecule malonyl coenzyme A decarboxylase inhibitors. J Med Chem, Volume 49 (5), 2006";ChEMBL
MM475814;MM475814;Cc1nn(-c2ccc3onc(N)c3c2)c2c1CCN(c1ccc(-c3ccccc3CN3CCC(O)C3)cc1)C2=O;BGSMHNHLTFKRFT-XMMPIXPASA-N;534.62;4.34;23646164;;;CHEMBL380405;CACO;ECACO;25;0;"<a href=https://www.ebi.ac.uk/chembl/assay_report_card/CHEMBL868640/  target=_blank>CHEMBL868640</a>";;;;;;;;;-5.21;;;;;;;;;;;;"Pinto DJ, Orwat MJ, Quan ML, Han Q, Galemmo RA, Amparo E, Wells B, Ellis C, He MY, Alexander RS, Rossi KA, Smallwood A, Wong PC, Luettgen JM, Rendina AR, Knabb RM, Mersinger L, Kettner C, Bai S, He K, Wexler RR, Lam PY.: 1-[3-Aminobenzisoxazol-5'-yl]-3-trifluoromethyl-6-[2'-(3-(R)-hydroxy-N-pyrrolidinyl)methyl-[1,1']-biphen-4-yl]-1,4,5,6-tetrahydropyrazolo-[3,4-c]-pyridin-7-one (BMS-740808) a highly potent, selective, efficacious, and orally bioavailable inhibitor of blood coagulation factor Xa. Bioorg Med Chem Lett, Volume 16 (15), 2006";ChEMBL
MM475815;MM475815;Nc1noc2ccc(-n3nc(C(F)(F)F)cc3C(=O)Nc3ccc(-c4ccccc4CN4CCC(N)C4)cc3F)cc12;YHIZCAWNRNQWMF-GOSISDBHSA-N;579.56;5.21;23646298;;;CHEMBL380430;CACO;ECACO;25;0;"<a href=https://www.ebi.ac.uk/chembl/assay_report_card/CHEMBL859920/  target=_blank>CHEMBL859920</a>";;;;;;;;;-5.31;;;;;;;;;;;;"Quan ML, Han Q, Fevig JM, Lam PY, Bai S, Knabb RM, Luettgen JM, Wong PC, Wexler RR.: Aminobenzisoxazoles with biaryl P4 moieties as potent, selective, and orally bioavailable factor Xa inhibitors. Bioorg Med Chem Lett, Volume 16 (7), 2006";ChEMBL
MM475818;MM475818;CC(C)(CO)Nc1nc(SCc2cccc(F)c2F)nc2nc(N)sc12;UTDWJMBRBOKFJV-UHFFFAOYSA-N;397.48;3.42;11625425;;;CHEMBL380947;CACO;ECACO;25;0;"<a href=https://www.ebi.ac.uk/chembl/assay_report_card/CHEMBL893607/  target=_blank>CHEMBL893607</a>";;;;;;;;;-5.44;;;;;;;;;;;;"Hunt F, Austin C, Austin R, Bonnert R, Cage P, Christie J, Christie M, Dixon C, Hill S, Jewell R, Martin I, Robinson D, Willis P.: SAR studies on thiazolo[4,5-d]pyrimidine based CXCR2 antagonists involving a novel tandem displacement reaction. Bioorg Med Chem Lett, Volume 17 (10), 2007";ChEMBL
MM475819;MM475819;COC(=O)NC(C(=O)NN(Cc1cccc(-c2cccnc2)c1)CC(O)(Cc1ccccc1)C(=O)NC1c2ccccc2CC1O)C(C)(C)C;OARKPSCQQRKMKX-NGXTUNLOSA-N;679.82;4.1;11721694;;;CHEMBL381169;CACO;ECACO;25;0;"<a href=https://www.ebi.ac.uk/chembl/assay_report_card/CHEMBL867712/  target=_blank>CHEMBL867712</a>";;;;;;;;;-4.96;;;;;;;;;;;;"Ekegren JK, Ginman N, Johansson A, Wallberg H, Larhed M, Samuelsson B, Unge T, Hallberg A.: Microwave-accelerated synthesis of P1'-extended HIV-1 protease inhibitors encompassing a tertiary alcohol in the transition-state mimicking scaffold. J Med Chem, Volume 49 (5), 2006";ChEMBL
MM475820;MM475820;CCC(=O)N1CCC(CC(=O)NO)(NC(=O)c2ccc(OCc3cc(C)nc4ccccc34)cc2)CC1;SFSKPKLATIXRLH-UHFFFAOYSA-N;504.59;3.52;;;;;CACO;ECACO;25;0;"<a href=https://www.ebi.ac.uk/chembl/assay_report_card/CHEMBL853098/  target=_blank>CHEMBL853098</a>";;;;;;;;;-7;;;;;;;;;;;;"Gilmore JL, King BW, Harris C, Maduskuie T, Mercer SE, Liu RQ, Covington MB, Qian M, Ribadeneria MD, Vaddi K, Trzaskos JM, Newton RC, Decicco CP, Duan JJ.: Synthesis and structure-activity relationship of a novel, achiral series of TNF-alpha converting enzyme inhibitors. Bioorg Med Chem Lett, Volume 16 (10), 2006";ChEMBL
MM475822;MM475822;CC(=O)N1CCC(CC(=O)NO)(NC(=O)c2ccc(OCc3cc(C)nc4ccccc34)cc2)CC1;QRWVORUSUQDRRN-UHFFFAOYSA-N;490.56;3.13;;;;;CACO;ECACO;25;0;"<a href=https://www.ebi.ac.uk/chembl/assay_report_card/CHEMBL853098/  target=_blank>CHEMBL853098</a>";;;;;;;;;-7;;;;;;;;;;;;"Gilmore JL, King BW, Harris C, Maduskuie T, Mercer SE, Liu RQ, Covington MB, Qian M, Ribadeneria MD, Vaddi K, Trzaskos JM, Newton RC, Decicco CP, Duan JJ.: Synthesis and structure-activity relationship of a novel, achiral series of TNF-alpha converting enzyme inhibitors. Bioorg Med Chem Lett, Volume 16 (10), 2006";ChEMBL
MM475824;MM475824;Cc1cc(COc2ccc(C(=O)NC3(CC(=O)NO)CCN(CCS(C)(=O)=O)CC3)cc2)c2ccccc2n1;MJYOLQLJRBLLML-UHFFFAOYSA-N;554.67;2.63;;;;;CACO;ECACO;25;0;"<a href=https://www.ebi.ac.uk/chembl/assay_report_card/CHEMBL853098/  target=_blank>CHEMBL853098</a>";;;;;;;;;-6.09;;;;;;;;;;;;"Gilmore JL, King BW, Harris C, Maduskuie T, Mercer SE, Liu RQ, Covington MB, Qian M, Ribadeneria MD, Vaddi K, Trzaskos JM, Newton RC, Decicco CP, Duan JJ.: Synthesis and structure-activity relationship of a novel, achiral series of TNF-alpha converting enzyme inhibitors. Bioorg Med Chem Lett, Volume 16 (10), 2006";ChEMBL
MM475825;MM475825;CCN(C(=O)c1ccncc1)c1ccc(C(O)(C(F)(F)F)C(F)(F)F)cc1;RNWLFGIPIJCAAQ-UHFFFAOYSA-N;392.3;4.06;10111090;;;CHEMBL382794;CACO;ECACO;25;0;"<a href=https://www.ebi.ac.uk/chembl/assay_report_card/CHEMBL859663/  target=_blank>CHEMBL859663</a>";;;;;;;;;-4.26;;;;;;;;;;;;"Cheng JF, Chen M, Wallace D, Tith S, Haramura M, Liu B, Mak CC, Arrhenius T, Reily S, Brown S, Thorn V, Harmon C, Barr R, Dyck JR, Lopaschuk GD, Nadzan AM.: Synthesis and structure-activity relationship of small-molecule malonyl coenzyme A decarboxylase inhibitors. J Med Chem, Volume 49 (5), 2006";ChEMBL
MM475827;MM475827;CCCCOc1ncc(C(C)=O)cc1-c1nc2c(CC)n(Cc3nccn3C)nc2c(=O)[nH]1;KXBOKGPWEVCLQK-UHFFFAOYSA-N;449.52;3.32;135505670;;;CHEMBL383202;CACO;ECACO;25;0;"<a href=https://www.ebi.ac.uk/chembl/assay_report_card/CHEMBL860099/  target=_blank>CHEMBL860099</a>";;;;;;;;;-5.3;;;;;;;;;;;;"Allerton CM, Barber CG, Beaumont KC, Brown DG, Cole SM, Ellis D, Lane CA, Maw GN, Mount NM, Rawson DJ, Robinson CM, Street SD, Summerhill NW.: A novel series of potent and selective PDE5 inhibitors with potential for high and dose-independent oral bioavailability. J Med Chem, Volume 49 (12), 2006";ChEMBL
MM475828;MM475828;CCN(C(=O)C(C)C)c1ccc(C(O)(C(F)(F)F)C(F)(F)F)cc1;QKROGJIOEIMFTC-UHFFFAOYSA-N;357.29;4.01;9924885;;;CHEMBL383478;CACO;ECACO;25;0;"<a href=https://www.ebi.ac.uk/chembl/assay_report_card/CHEMBL859663/  target=_blank>CHEMBL859663</a>";;;;;;;;;-4.16;;;;;;;;;;;;"Cheng JF, Chen M, Wallace D, Tith S, Haramura M, Liu B, Mak CC, Arrhenius T, Reily S, Brown S, Thorn V, Harmon C, Barr R, Dyck JR, Lopaschuk GD, Nadzan AM.: Synthesis and structure-activity relationship of small-molecule malonyl coenzyme A decarboxylase inhibitors. J Med Chem, Volume 49 (5), 2006";ChEMBL
MM475830;MM475830;Cn1cnc(S(=O)(=O)N(CCN(Cc2cncn2C)c2ccc(C#N)cc2)CC2CCN(c3ncccn3)CC2)c1;UAEKHSFNVUOOPP-UHFFFAOYSA-N;574.72;2.43;16086178;;;CHEMBL384161;CACO;ECACO;25;0;"<a href=https://www.ebi.ac.uk/chembl/assay_report_card/CHEMBL910296/  target=_blank>CHEMBL910296</a>";;;;;;;;;-5.96;;;;;;;;;;;;"Glenn MP, Chang SY, Hornéy C, Rivas K, Yokoyama K, Pusateri EE, Fletcher S, Cummings CG, Buckner FS, Pendyala PR, Chakrabarti D, Sebti SM, Gelb M, Van Voorhis WC, Hamilton AD.: Structurally simple, potent, Plasmodium selective farnesyltransferase inhibitors that arrest the growth of malaria parasites. J Med Chem, Volume 49 (19), 2006";ChEMBL
MM475831;MM475831;CCCCCCCCCCC(NCC(=O)NC1CSSCC2NC(=O)C(C(C)C)NC(=O)C3CCCN3C(=O)C(CC(N)=O)NC(=O)C(CO)NC(=O)C(CSSCC(C(=O)O)NC(=O)C(CC(C)C)NC(=O)C(CC(N)=O)NC(=O)C(CO)NC(=O)C(Cc3c[nH]cn3)NC(=O)C(CCC(=O)O)NC(=O)C(CC(C)C)NC(=O)C(Cc3c[nH]cn3)NC2=O)NC1=O)C(=O)O;NBWLACAVNSUJCW-JVLIEFSKSA-N;1910.26;-5.51;44458958;;;CHEMBL384378;CACO;ECACO;25;0;"<a href=https://www.ebi.ac.uk/chembl/assay_report_card/CHEMBL657441/  target=_blank>CHEMBL657441</a>";;;;;;;;;-5.3;;;;;;;;;;;;"Blanchfield JT, Dutton JL, Hogg RC, Gallagher OP, Craik DJ, Jones A, Adams DJ, Lewis RJ, Alewood PF, Toth I.: Synthesis, structure elucidation, in vitro biological activity, toxicity, and Caco-2 cell permeability of lipophilic analogues of alpha-conotoxin MII. J Med Chem, Volume 46 (7), 2003";ChEMBL
MM475832;MM475832;Cn1cnc(S(=O)(=O)N(CCN(Cc2cncn2C)c2ccc(C#N)cc2)CC2CCN(C(=O)OC(C)(C)C)CC2)c1;NYTPJJDEMIZHPE-UHFFFAOYSA-N;596.76;3.37;16086150;;;CHEMBL385072;CACO;ECACO;25;0;"<a href=https://www.ebi.ac.uk/chembl/assay_report_card/CHEMBL910296/  target=_blank>CHEMBL910296</a>";;;;;;;;;-6.05;;;;;;;;;;;;"Glenn MP, Chang SY, Hornéy C, Rivas K, Yokoyama K, Pusateri EE, Fletcher S, Cummings CG, Buckner FS, Pendyala PR, Chakrabarti D, Sebti SM, Gelb M, Van Voorhis WC, Hamilton AD.: Structurally simple, potent, Plasmodium selective farnesyltransferase inhibitors that arrest the growth of malaria parasites. J Med Chem, Volume 49 (19), 2006";ChEMBL
MM475833;MM475833;CN(C)C(=O)CN1CCn2c(c(C3CCCCC3)c3ccc(C(=O)O)cc32)-c2ccccc21;OEMFLNNRPUAOBO-UHFFFAOYSA-N;445.56;4.96;11995224;;;CHEMBL385407;CACO;ECACO;25;0;"<a href=https://www.ebi.ac.uk/chembl/assay_report_card/CHEMBL911830/  target=_blank>CHEMBL911830</a>";;;;;;;;;-4.28;;;;;;;;;;;;"Ikegashira K, Oka T, Hirashima S, Noji S, Yamanaka H, Hara Y, Adachi T, Tsuruha J, Doi S, Hase Y, Noguchi T, Ando I, Ogura N, Ikeda S, Hashimoto H.: Discovery of conformationally constrained tetracyclic compounds as potent hepatitis C virus NS5B RNA polymerase inhibitors. J Med Chem, Volume 49 (24), 2006";ChEMBL
MM475834;MM475834;Cc1nn(-c2ccc3onc(N)c3c2)c2c1CCN(c1ccc(-c3ccccc3CN(C)C)cc1)C2=O;RQRUABSSKUUZEJ-UHFFFAOYSA-N;492.58;4.84;22086973;;;CHEMBL385679;CACO;ECACO;25;0;"<a href=https://www.ebi.ac.uk/chembl/assay_report_card/CHEMBL868640/  target=_blank>CHEMBL868640</a>";;;;;;;;;-5.17;;;;;;;;;;;;"Pinto DJ, Orwat MJ, Quan ML, Han Q, Galemmo RA, Amparo E, Wells B, Ellis C, He MY, Alexander RS, Rossi KA, Smallwood A, Wong PC, Luettgen JM, Rendina AR, Knabb RM, Mersinger L, Kettner C, Bai S, He K, Wexler RR, Lam PY.: 1-[3-Aminobenzisoxazol-5'-yl]-3-trifluoromethyl-6-[2'-(3-(R)-hydroxy-N-pyrrolidinyl)methyl-[1,1']-biphen-4-yl]-1,4,5,6-tetrahydropyrazolo-[3,4-c]-pyridin-7-one (BMS-740808) a highly potent, selective, efficacious, and orally bioavailable inhibitor of blood coagulation factor Xa. Bioorg Med Chem Lett, Volume 16 (15), 2006";ChEMBL
MM475835;MM475835;Cn1cnc(S(=O)(=O)N(CCN(Cc2cncn2C)c2ccc(C#N)cc2)Cc2ccccn2)c1;MRIVPRZNMCCALI-UHFFFAOYSA-N;490.59;2.32;16086180;;;CHEMBL385845;CACO;ECACO;25;0;"<a href=https://www.ebi.ac.uk/chembl/assay_report_card/CHEMBL910296/  target=_blank>CHEMBL910296</a>";;;;;;;;;-5.74;;;;;;;;;;;;"Glenn MP, Chang SY, Hornéy C, Rivas K, Yokoyama K, Pusateri EE, Fletcher S, Cummings CG, Buckner FS, Pendyala PR, Chakrabarti D, Sebti SM, Gelb M, Van Voorhis WC, Hamilton AD.: Structurally simple, potent, Plasmodium selective farnesyltransferase inhibitors that arrest the growth of malaria parasites. J Med Chem, Volume 49 (19), 2006";ChEMBL
MM475837;MM475837;Cn1cnc(S(=O)(=O)N(CCN(Cc2cncn2C)c2ccc(C#N)cc2)Cc2ccc(-c3ccccc3)cc2)c1;MUGOBVVTADQYDA-UHFFFAOYSA-N;565.7;4.59;11330505;;;CHEMBL386292;CACO;ECACO;25;0;"<a href=https://www.ebi.ac.uk/chembl/assay_report_card/CHEMBL910296/  target=_blank>CHEMBL910296</a>";;;;;;;;;-5.96;;;;;;;;;;;;"Glenn MP, Chang SY, Hornéy C, Rivas K, Yokoyama K, Pusateri EE, Fletcher S, Cummings CG, Buckner FS, Pendyala PR, Chakrabarti D, Sebti SM, Gelb M, Van Voorhis WC, Hamilton AD.: Structurally simple, potent, Plasmodium selective farnesyltransferase inhibitors that arrest the growth of malaria parasites. J Med Chem, Volume 49 (19), 2006";ChEMBL
Testosterone;MM00423;CC12CCC(=O)C=C1CCC1C2CCC2(C)C(O)CCC12;MUMGGOZAMZWBJJ-UHFFFAOYSA-N;288.43;3.88;6013;DB00624;TES;CHEMBL386630;CACO;ECACO;25;0;"<a href=https://www.ebi.ac.uk/chembl/assay_report_card/CHEMBL859786/  target=_blank>CHEMBL859786</a>";;;;;;;;;-5.03;;;;;;;;;;;;"Voets M, Antes I, Scherer C, Müller-Vieira U, Biemel K, Marchais-Oberwinkler S, Hartmann RW.: Synthesis and evaluation of heteroaryl-substituted dihydronaphthalenes and indenes: potent and selective inhibitors of aldosterone synthase (CYP11B2) for the treatment of congestive heart failure and myocardial fibrosis. J Med Chem, Volume 49 (7), 2006";ChEMBL
Testosterone;MM00423;CC12CCC(=O)C=C1CCC1C2CCC2(C)C(O)CCC12;MUMGGOZAMZWBJJ-UHFFFAOYSA-N;288.43;3.88;6013;DB00624;TES;CHEMBL386630;CACO;ECACO;25;0;"<a href=https://www.ebi.ac.uk/chembl/assay_report_card/CHEMBL1032443/  target=_blank>CHEMBL1032443</a>";;;;;;;;;-5.03;;;;;;;;;;;;"Bey E, Marchais-Oberwinkler S, Werth R, Negri M, Al-Soud YA, Kruchten P, Oster A, Frotscher M, Birk B, Hartmann RW.: Design, synthesis, biological evaluation and pharmacokinetics of bis(hydroxyphenyl) substituted azoles, thiophenes, benzenes, and aza-benzenes as potent and selective nonsteroidal inhibitors of 17beta-hydroxysteroid dehydrogenase type 1 (17beta-HSD1). J Med Chem, Volume 51 (21), 2008";ChEMBL
MM475841;MM475841;O=c1n(Cc2nc3ccccc3n2CCCC2(O)CC2)c2cnccc2n1C1CC1;UOYODLLSYQHHED-UHFFFAOYSA-N;403.49;3.24;;;;;CACO;ECACO;25;0;"<a href=https://www.ebi.ac.uk/chembl/assay_report_card/CHEMBL891578/  target=_blank>CHEMBL891578</a>";;;;;;;;;-4.63;;;;;;;;;;;;"Yu KL, Sin N, Civiello RL, Wang XA, Combrink KD, Gulgeze HB, Venables BL, Wright JJ, Dalterio RA, Zadjura L, Marino A, Dando S, D'Arienzo C, Kadow KF, Cianci CW, Li Z, Clarke J, Genovesi EV, Medina I, Lamb L, Colonno RJ, Yang Z, Krystal M, Meanwell NA.: Respiratory syncytial virus fusion inhibitors. Part 4: optimization for oral bioavailability. Bioorg Med Chem Lett, Volume 17 (4), 2007";ChEMBL
MM475842;MM475842;CCS(=O)(=O)CCCn1c(Cn2c(=O)n(C3CC3)c3ccncc32)nc2ccccc21;NXXXNNQCMNNNRX-UHFFFAOYSA-N;439.54;2.76;;;;;CACO;ECACO;25;0;"<a href=https://www.ebi.ac.uk/chembl/assay_report_card/CHEMBL891578/  target=_blank>CHEMBL891578</a>";;;;;;;;;-5.47;;;;;;;;;;;;"Yu KL, Sin N, Civiello RL, Wang XA, Combrink KD, Gulgeze HB, Venables BL, Wright JJ, Dalterio RA, Zadjura L, Marino A, Dando S, D'Arienzo C, Kadow KF, Cianci CW, Li Z, Clarke J, Genovesi EV, Medina I, Lamb L, Colonno RJ, Yang Z, Krystal M, Meanwell NA.: Respiratory syncytial virus fusion inhibitors. Part 4: optimization for oral bioavailability. Bioorg Med Chem Lett, Volume 17 (4), 2007";ChEMBL
Hydrocortisone;MM00044;CC12CCC(=O)C=C1CCC1C2C(O)CC2(C)C1CCC2(O)C(=O)CO;JYGXADMDTFJGBT-UHFFFAOYSA-N;362.47;1.78;5754;DB00741;HCY;CHEMBL389621;CACO;ECACO;25;0;"<a href=https://www.ebi.ac.uk/chembl/assay_report_card/CHEMBL635760/  target=_blank>CHEMBL635760</a>";;;;;;;;;-4.57;;;;;;;;;;;;"Stenberg P, Norinder U, Luthman K, Artursson P.: Experimental and computational screening models for the prediction of intestinal drug absorption. J Med Chem, Volume 44 (12), 2001";ChEMBL
Hydrocortisone;MM00044;CC12CCC(=O)C=C1CCC1C2C(O)CC2(C)C1CCC2(O)C(=O)CO;JYGXADMDTFJGBT-UHFFFAOYSA-N;362.47;1.78;5754;DB00741;HCY;CHEMBL389621;CACO;ECACO;25;0;"<a href=https://www.ebi.ac.uk/chembl/assay_report_card/CHEMBL638024/  target=_blank>CHEMBL638024</a>";;;;;;;;;-4.38;;;;;;;;;;;;"Stenberg P, Norinder U, Luthman K, Artursson P.: Experimental and computational screening models for the prediction of intestinal drug absorption. J Med Chem, Volume 44 (12), 2001";ChEMBL
MM475843;MM475843;CC(C)(O)CCn1c(Cn2c(=O)n(C3CC3)c3ccncc32)nc2ccccc21;DCKYJLBTIKJCTP-UHFFFAOYSA-N;391.48;3.09;;;;;CACO;ECACO;25;0;"<a href=https://www.ebi.ac.uk/chembl/assay_report_card/CHEMBL891578/  target=_blank>CHEMBL891578</a>";;;;;;;;;-4.74;;;;;;;;;;;;"Yu KL, Sin N, Civiello RL, Wang XA, Combrink KD, Gulgeze HB, Venables BL, Wright JJ, Dalterio RA, Zadjura L, Marino A, Dando S, D'Arienzo C, Kadow KF, Cianci CW, Li Z, Clarke J, Genovesi EV, Medina I, Lamb L, Colonno RJ, Yang Z, Krystal M, Meanwell NA.: Respiratory syncytial virus fusion inhibitors. Part 4: optimization for oral bioavailability. Bioorg Med Chem Lett, Volume 17 (4), 2007";ChEMBL
MM475844;MM475844;O=C(NC1CCN(C(=O)CCc2cccnc2)CC1)C(c1ccccc1)C1CCCCC1;RMFOYNMWESQGBZ-UHFFFAOYSA-N;433.6;4.49;44430519;;;CHEMBL390036;CACO;ECACO;25;0;"<a href=https://www.ebi.ac.uk/chembl/assay_report_card/CHEMBL894525/  target=_blank>CHEMBL894525</a>";;;;;;;;;-4.92;;;;;;;;;;;;"Denonne F, Binet S, Burton M, Collart P, Defays S, Dipesa A, Eckert M, Giannaras A, Kumar S, Levine B, Nicolas JM, Pasau P, Pégurier C, Preda D, Van houtvin N, Volosov A, Zou D.: Discovery of new C3aR ligands. Part 2: amino-piperidine derivatives. Bioorg Med Chem Lett, Volume 17 (12), 2007";ChEMBL
MM475846;MM475846;CCOC(=O)CNC(CCc1ccccn1)C(=O)N1CCCC1C(=O)NCc1cc(Cl)ccc1CN;UERHFNVGKAURME-PKTZIBPZSA-N;516.04;1.96;44426251;;;CHEMBL390403;CACO;ECACO;25;0;"<a href=https://www.ebi.ac.uk/chembl/assay_report_card/CHEMBL889058/  target=_blank>CHEMBL889058</a>";;;;;;;;;-5.62;;;;;;;;;;;;"Dönnecke D, Schweinitz A, Stürzebecher A, Steinmetzer P, Schuster M, Stürzebecher U, Nicklisch S, Stürzebecher J, Steinmetzer T.: From selective substrate analogue factor Xa inhibitors to dual inhibitors of thrombin and factor Xa. Part 3. Bioorg Med Chem Lett, Volume 17 (12), 2007";ChEMBL
MM475847;MM475847;O=c1n(Cc2nc3ccccc3n2CCCCCO)c2cnccc2n1C1CC1;UJEZJTAIDLYMAF-UHFFFAOYSA-N;391.48;3.09;;;;;CACO;ECACO;25;0;"<a href=https://www.ebi.ac.uk/chembl/assay_report_card/CHEMBL891578/  target=_blank>CHEMBL891578</a>";;;;;;;;;-5.02;;;;;;;;;;;;"Yu KL, Sin N, Civiello RL, Wang XA, Combrink KD, Gulgeze HB, Venables BL, Wright JJ, Dalterio RA, Zadjura L, Marino A, Dando S, D'Arienzo C, Kadow KF, Cianci CW, Li Z, Clarke J, Genovesi EV, Medina I, Lamb L, Colonno RJ, Yang Z, Krystal M, Meanwell NA.: Respiratory syncytial virus fusion inhibitors. Part 4: optimization for oral bioavailability. Bioorg Med Chem Lett, Volume 17 (4), 2007";ChEMBL
MM475848;MM475848;Cc1ccc(N2CCN(C(=O)C(C)Cc3ccc(Cl)cc3F)CC2)c(C(NC(=O)CCN(C)C)C(C)C)c1;;545.14;5.08;23635108;;;CHEMBL391056;CACO;ECACO;25;0;"<a href=https://www.ebi.ac.uk/chembl/assay_report_card/CHEMBL963797/  target=_blank>CHEMBL963797</a>";;;;;;;;;-4.43;;;;;;;;;;;;"Chen C, Tucci FC, Jiang W, Tran JA, Fleck BA, Hoare SR, Wen J, Chen T, Johns M, Markison S, Foster AC, Marinkovic D, Chen CW, Arellano M, Harman J, Saunders J, Bozigian H, Marks D.: Pharmacological and pharmacokinetic characterization of 2-piperazine-alpha-isopropyl benzylamine derivatives as melanocortin-4 receptor antagonists. Bioorg Med Chem, Volume 16 (10), 2008";ChEMBL
MM475848;MM475848;Cc1ccc(N2CCN(C(=O)C(C)Cc3ccc(Cl)cc3F)CC2)c(C(NC(=O)CCN(C)C)C(C)C)c1;;545.14;5.08;23635108;;;CHEMBL391056;CACO;ECACO;25;0;"<a href=https://www.ebi.ac.uk/chembl/assay_report_card/CHEMBL900805/  target=_blank>CHEMBL900805</a>";;;;;;;;;-5.43;;;;;;;;;;;;"Chen C, Jiang W, Tucci F, Tran JA, Fleck BA, Hoare SR, Joppa M, Markison S, Wen J, Sai Y, Johns M, Madan A, Chen T, Chen CW, Marinkovic D, Arellano M, Saunders J, Foster AC.: Discovery of 1-[2-[(1S)-(3-dimethylaminopropionyl)amino-2-methylpropyl]-4-methylphenyl]-4-[(2R)-methyl-3-(4-chlorophenyl)-propionyl]piperazine as an orally active antagonist of the melanocortin-4 receptor for the potential treatment of cachexia. J Med Chem, Volume 50 (22), 2007";ChEMBL
MM475849;MM475849;CC(C)CC1C(=O)NCC(=O)N(C)C(CCCN=C(N)N)C(=O)NCC(=O)NC(CC(=O)O)C(=O)N(C)C(Cc2ccccc2)C(=O)N1C;BUJLFEPBWLGNBZ-NEWJYFPISA-N;687.8;-1.78;23729563;;;CHEMBL391340;CACO;ECACO;25;0;"<a href=https://www.ebi.ac.uk/chembl/assay_report_card/CHEMBL902034/  target=_blank>CHEMBL902034</a>";;;;;;;;;-7.52;;;;;;;;;;;;"Chatterjee J, Ovadia O, Zahn G, Marinelli L, Hoffman A, Gilon C, Kessler H.: Multiple N-methylation by a designed approach enhances receptor selectivity. J Med Chem, Volume 50 (24), 2007";ChEMBL
MM475851;MM475851;COc1ccc(-n2nc(C(N)=O)c3c2C(=O)N(c2ccc(-c4ccccc4CN(C)C)cc2)CC3)cc1;WDTKVYDFBNLOOJ-UHFFFAOYSA-N;495.58;3.91;10117541;;;CHEMBL391484;CACO;ECACO;25;0;"<a href=https://www.ebi.ac.uk/chembl/assay_report_card/CHEMBL900671/  target=_blank>CHEMBL900671</a>";;;;;;;;;-5.64;;;;;;;;;;;;"Pinto DJ, Orwat MJ, Koch S, Rossi KA, Alexander RS, Smallwood A, Wong PC, Rendina AR, Luettgen JM, Knabb RM, He K, Xin B, Wexler RR, Lam PY.: Discovery of 1-(4-methoxyphenyl)-7-oxo-6-(4-(2-oxopiperidin-1-yl)phenyl)-4,5,6,7-tetrahydro-1H-pyrazolo[3,4-c]pyridine-3-carboxamide (apixaban, BMS-562247), a highly potent, selective, efficacious, and orally bioavailable inhibitor of blood coagulation factor Xa. J Med Chem, Volume 50 (22), 2007";ChEMBL
MM475853;MM475853;O=C1CC(c2ccc(CC(Nc3nc4ccc(F)cc4s3)c3nc4ccccc4[nH]3)cc2)S(=O)(=O)N1;YXMKDYBKIKKMKC-AIBWNMTMSA-N;521.6;4.6;23646686;;;CHEMBL391816;CACO;ECACO;25;0;"<a href=https://www.ebi.ac.uk/chembl/assay_report_card/CHEMBL902513/  target=_blank>CHEMBL902513</a>";;;;;;;;;-6.05;;;;;;;;;;;;"Sparks RB, Polam P, Zhu W, Crawley ML, Takvorian A, McLaughlin E, Wei M, Ala PJ, Gonneville L, Taylor N, Li Y, Wynn R, Burn TC, Liu PC, Combs AP.: Benzothiazole benzimidazole (S)-isothiazolidinone derivatives as protein tyrosine phosphatase-1B inhibitors. Bioorg Med Chem Lett, Volume 17 (3), 2007";ChEMBL
MM475855;MM475855;CC1NC(=O)C(C)NC(=O)C(Cc2ccccc2)NCCC(=O)NCCN(C(Cc2ccccc2)C(N)=O)C(=O)C(C)NC(=O)C(C)NC1=O;PQPSEMWNMBJLKW-YPZLOKHQSA-N;692.82;-1.35;23730838;;;CHEMBL391932;CACO;ECACO;25;0;"<a href=https://www.ebi.ac.uk/chembl/assay_report_card/CHEMBL901110/  target=_blank>CHEMBL901110</a>";;;;;;;;;-5.83;;;;;;;;;;;;"Hess S, Ovadia O, Shalev DE, Senderovich H, Qadri B, Yehezkel T, Salitra Y, Sheynis T, Jelinek R, Gilon C, Hoffman A.: Effect of structural and conformation modifications, including backbone cyclization, of hydrophilic hexapeptides on their intestinal permeability and enzymatic stability. J Med Chem, Volume 50 (24), 2007";ChEMBL
MM475856;MM475856;CC1NC(=O)C(Cc2ccccc2)NCCC(=O)NCCN(C(Cc2ccccc2)C(N)=O)C(=O)CNC(=O)CNC(=O)CNC1=O;IQJDHWMIWQDFED-TUSQITKMSA-N;650.74;-2.51;23730958;;;CHEMBL391992;CACO;ECACO;25;0;"<a href=https://www.ebi.ac.uk/chembl/assay_report_card/CHEMBL901110/  target=_blank>CHEMBL901110</a>";;;;;;;;;-5.72;;;;;;;;;;;;"Hess S, Ovadia O, Shalev DE, Senderovich H, Qadri B, Yehezkel T, Salitra Y, Sheynis T, Jelinek R, Gilon C, Hoffman A.: Effect of structural and conformation modifications, including backbone cyclization, of hydrophilic hexapeptides on their intestinal permeability and enzymatic stability. J Med Chem, Volume 50 (24), 2007";ChEMBL
MM475857;MM475857;CC1NC(=O)C(C)NC(=O)C(Cc2ccccc2)NCCC(=O)NCCN(C(Cc2ccccc2)C(N)=O)C(=O)CNC(=O)CNC1=O;ZOTAYMIEWXSZNI-JPMIEVGJSA-N;664.76;-2.13;23730724;;;CHEMBL391993;CACO;ECACO;25;0;"<a href=https://www.ebi.ac.uk/chembl/assay_report_card/CHEMBL901110/  target=_blank>CHEMBL901110</a>";;;;;;;;;-5.49;;;;;;;;;;;;"Hess S, Ovadia O, Shalev DE, Senderovich H, Qadri B, Yehezkel T, Salitra Y, Sheynis T, Jelinek R, Gilon C, Hoffman A.: Effect of structural and conformation modifications, including backbone cyclization, of hydrophilic hexapeptides on their intestinal permeability and enzymatic stability. J Med Chem, Volume 50 (24), 2007";ChEMBL
MM475858;MM475858;CN1CC(=O)NCC(=O)NCC(=O)NCC(=O)N(C(Cc2ccccc2)C(N)=O)CCNC(=O)CCNC(Cc2ccccc2)C1=O;;650.74;-2.56;23731077;;;CHEMBL391994;CACO;ECACO;25;0;"<a href=https://www.ebi.ac.uk/chembl/assay_report_card/CHEMBL901110/  target=_blank>CHEMBL901110</a>";;;;;;;;;-5.65;;;;;;;;;;;;"Hess S, Ovadia O, Shalev DE, Senderovich H, Qadri B, Yehezkel T, Salitra Y, Sheynis T, Jelinek R, Gilon C, Hoffman A.: Effect of structural and conformation modifications, including backbone cyclization, of hydrophilic hexapeptides on their intestinal permeability and enzymatic stability. J Med Chem, Volume 50 (24), 2007";ChEMBL
MM475858;MM475858;CN1CC(=O)NCC(=O)NCC(=O)NCC(=O)N(C(Cc2ccccc2)C(N)=O)CCNC(=O)CCNC(Cc2ccccc2)C1=O;;650.74;-2.56;23731077;;;CHEMBL391994;CACO;ECACO;25;0;"<a href=https://www.ebi.ac.uk/chembl/assay_report_card/CHEMBL901111/  target=_blank>CHEMBL901111</a>";;;;;;;;;-5.12;;;;;;;;;;;;"Hess S, Ovadia O, Shalev DE, Senderovich H, Qadri B, Yehezkel T, Salitra Y, Sheynis T, Jelinek R, Gilon C, Hoffman A.: Effect of structural and conformation modifications, including backbone cyclization, of hydrophilic hexapeptides on their intestinal permeability and enzymatic stability. J Med Chem, Volume 50 (24), 2007";ChEMBL
MM475859;MM475859;CN1CC(=O)NCC(=O)NCC(=O)N(C(Cc2ccccc2)C(N)=O)CCNC(=O)CCNC(Cc2ccccc2)C(=O)N(C)CC1=O;WMWLTEZGRIRKNS-UIOOFZCWSA-N;664.76;-2.22;23730839;;;CHEMBL391995;CACO;ECACO;25;0;"<a href=https://www.ebi.ac.uk/chembl/assay_report_card/CHEMBL901110/  target=_blank>CHEMBL901110</a>";;;;;;;;;-5.61;;;;;;;;;;;;"Hess S, Ovadia O, Shalev DE, Senderovich H, Qadri B, Yehezkel T, Salitra Y, Sheynis T, Jelinek R, Gilon C, Hoffman A.: Effect of structural and conformation modifications, including backbone cyclization, of hydrophilic hexapeptides on their intestinal permeability and enzymatic stability. J Med Chem, Volume 50 (24), 2007";ChEMBL
MM475863;MM475863;Cc1cc(Cc2ccc(C(=O)NC3CN(CC(C)C)CC3C(=O)NO)cc2)c2ccccc2n1;VMWZNZVYBAZMKQ-UKILVPOCSA-N;460.58;3.33;44431845;;;CHEMBL392312;CACO;ECACO;25;0;"<a href=https://www.ebi.ac.uk/chembl/assay_report_card/CHEMBL897361/  target=_blank>CHEMBL897361</a>";;;;;;;;;-5.82;;;;;;;;;;;;"Chen XT, Ghavimi B, Corbett RL, Xue CB, Liu RQ, Covington MB, Qian M, Vaddi KG, Christ DD, Hartman KD, Ribadeneira MD, Trzaskos JM, Newton RC, Decicco CP, Duan JJ.: A new 4-(2-methylquinolin-4-ylmethyl)phenyl P1' group for the beta-amino hydroxamic acid derived TACE inhibitors. Bioorg Med Chem Lett, Volume 17 (7), 2007";ChEMBL
MM475865;MM475865;COc1ccc(-n2nc(C(N)=O)c3c2C(=O)N(C2CCN(c4ccccc4S(C)(=O)=O)CC2)CC3)cc1;PJHHSGILIGVDLH-UHFFFAOYSA-N;523.62;2.05;;;;;CACO;ECACO;25;0;"<a href=https://www.ebi.ac.uk/chembl/assay_report_card/CHEMBL885807/  target=_blank>CHEMBL885807</a>";;;;;;;;;-5.82;;;;;;;;;;;;"Qiao JX, Cheng X, Smallheer JM, Galemmo RA, Drummond S, Pinto DJ, Cheney DL, He K, Wong PC, Luettgen JM, Knabb RM, Wexler RR, Lam PY.: Pyrazole-based factor Xa inhibitors containing N-arylpiperidinyl P4 residues. Bioorg Med Chem Lett, Volume 17 (5), 2007";ChEMBL
MM475869;MM475869;O=C(Nc1ccc(C(F)(F)F)cc1)c1ccnn1CCc1ccncc1;ZAMPINLTBPKGEY-UHFFFAOYSA-N;360.34;3.79;44431897;;;CHEMBL392934;CACO;ECACO;25;0;"<a href=https://www.ebi.ac.uk/chembl/assay_report_card/CHEMBL897525/  target=_blank>CHEMBL897525</a>";;;;;;;;;-5.19;;;;;;;;;;;;"Kiselyov AS, Milligan D, Ouyang X.: Novel inhibitors of VEGF receptors-1 and -2 based on azole-5-carboxamide templates. Bioorg Med Chem Lett, Volume 17 (13), 2007";ChEMBL
MM475870;MM475870;CCc1ccc(NC(=O)c2ccnn2CCc2ccncc2)cc1;SWHBXSXTFLWDOB-UHFFFAOYSA-N;320.4;3.34;44431898;;;CHEMBL392935;CACO;ECACO;25;0;"<a href=https://www.ebi.ac.uk/chembl/assay_report_card/CHEMBL897525/  target=_blank>CHEMBL897525</a>";;;;;;;;;-5.01;;;;;;;;;;;;"Kiselyov AS, Milligan D, Ouyang X.: Novel inhibitors of VEGF receptors-1 and -2 based on azole-5-carboxamide templates. Bioorg Med Chem Lett, Volume 17 (13), 2007";ChEMBL
MM475878;MM475878;CC(C)CC(NCCN)c1cccc(F)c1N1CCN(C(=O)C(Cc2ccc(Cl)cc2Cl)N2CCCC2=O)CC1;;592.59;4.65;24180646;;;CHEMBL393576;CACO;ECACO;25;0;"<a href=https://www.ebi.ac.uk/chembl/assay_report_card/CHEMBL899779/  target=_blank>CHEMBL899779</a>";;;;;;;;;-5.7;;;;;;;;;;;;"Jiang W, Tucci FC, Tran JA, Fleck BA, Wen J, Markison S, Marinkovic D, Chen CW, Arellano M, Hoare SR, Johns M, Foster AC, Saunders J, Chen C.: Pyrrolidinones as potent functional antagonists of the human melanocortin-4 receptor. Bioorg Med Chem Lett, Volume 17 (20), 2007";ChEMBL
MM475879;MM475879;CNC(Cc1ccccc1)C(=O)NCC(=O)NCC(=O)NCC(=O)NCC(=O)N(C)C(Cc1ccccc1)C(N)=O;BGSZSRNMQIWHNF-VXKWHMMOSA-N;567.65;-2.16;23731178;;;CHEMBL393582;CACO;ECACO;25;0;"<a href=https://www.ebi.ac.uk/chembl/assay_report_card/CHEMBL901110/  target=_blank>CHEMBL901110</a>";;;;;;;;;-5.74;;;;;;;;;;;;"Hess S, Ovadia O, Shalev DE, Senderovich H, Qadri B, Yehezkel T, Salitra Y, Sheynis T, Jelinek R, Gilon C, Hoffman A.: Effect of structural and conformation modifications, including backbone cyclization, of hydrophilic hexapeptides on their intestinal permeability and enzymatic stability. J Med Chem, Volume 50 (24), 2007";ChEMBL
MM475883;MM475883;O=C1CC(c2ccc(CC(Nc3nc4cc(Br)ccc4s3)c3nc4ccccc4[nH]3)cc2)S(=O)(=O)N1;GDVCJUYCAGOQOZ-AIBWNMTMSA-N;582.51;5.22;23646697;;;CHEMBL394382;CACO;ECACO;25;0;"<a href=https://www.ebi.ac.uk/chembl/assay_report_card/CHEMBL902513/  target=_blank>CHEMBL902513</a>";;;;;;;;;-5.89;;;;;;;;;;;;"Sparks RB, Polam P, Zhu W, Crawley ML, Takvorian A, McLaughlin E, Wei M, Ala PJ, Gonneville L, Taylor N, Li Y, Wynn R, Burn TC, Liu PC, Combs AP.: Benzothiazole benzimidazole (S)-isothiazolidinone derivatives as protein tyrosine phosphatase-1B inhibitors. Bioorg Med Chem Lett, Volume 17 (3), 2007";ChEMBL
MM475884;MM475884;CC(C)CC1C(=O)NCC(=O)NC(CCCN=C(N)N)C(=O)NCC(=O)NC(CC(=O)O)C(=O)NC(Cc2ccccc2)C(=O)N1C;AXPXTJPQSSUWFY-KJJMTIBFSA-N;659.75;-2.46;23731146;;;CHEMBL394389;CACO;ECACO;25;0;"<a href=https://www.ebi.ac.uk/chembl/assay_report_card/CHEMBL902034/  target=_blank>CHEMBL902034</a>";;;;;;;;;-7.52;;;;;;;;;;;;"Chatterjee J, Ovadia O, Zahn G, Marinelli L, Hoffman A, Gilon C, Kessler H.: Multiple N-methylation by a designed approach enhances receptor selectivity. J Med Chem, Volume 50 (24), 2007";ChEMBL
MM475885;MM475885;NCc1ccc(Cl)cc1CNC(=O)C1CCCN1C(=O)C(CCc1ccccn1)NCC(=O)O;NYKOPIYZICLSFY-RTWAWAEBSA-N;487.99;1.48;44426252;;;CHEMBL394517;CACO;ECACO;25;0;"<a href=https://www.ebi.ac.uk/chembl/assay_report_card/CHEMBL889058/  target=_blank>CHEMBL889058</a>";;;;;;;;;-5.3;;;;;;;;;;;;"Dönnecke D, Schweinitz A, Stürzebecher A, Steinmetzer P, Schuster M, Stürzebecher U, Nicklisch S, Stürzebecher J, Steinmetzer T.: From selective substrate analogue factor Xa inhibitors to dual inhibitors of thrombin and factor Xa. Part 3. Bioorg Med Chem Lett, Volume 17 (12), 2007";ChEMBL
MM475888;MM475888;CC(NC(=O)CCC(=O)OCCNC(=S)Nc1ccc(-c2c3ccc(=O)cc-3oc3cc(O)ccc23)c(C(=O)O)c1)C(=O)NCCCC(=O)NC(CCCNC(=N)N)C(=O)NC(CCCNC(=N)N)C(=O)NC(CCCNC(=N)N)C(=O)NC(CCCNC(=N)N)C(=O)NC(CCCNC(=N)N)C(=O)NC(CCCNC(=N)N)C(=O)NC(CCCNC(=N)N)C(N)=O;PLYZGZDMWDMUIR-AYICKECSSA-N;1799.07;-6.3;44435596;;;CHEMBL394756;CACO;ECACO;25;0;"<a href=https://www.ebi.ac.uk/chembl/assay_report_card/CHEMBL898000/  target=_blank>CHEMBL898000</a>";;;;;;;;;-6.39;;;;;;;;;;;;"Hayashi Y, Takayama K, Suehisa Y, Fujita T, Nguyen JT, Futaki S, Yamamoto A, Kiso Y.: Development of oligoarginine-drug conjugates linked to new peptidic self-cleavable spacers toward effective intestinal absorption. Bioorg Med Chem Lett, Volume 17 (18), 2007";ChEMBL
MM475889;MM475889;N#CCCCn1c(Cn2c(=O)n(CC(F)(F)F)c3ccncc32)nc2ccccc21;RMNMUWNNOBHYLU-UHFFFAOYSA-N;414.39;3.46;;;;;CACO;ECACO;25;0;"<a href=https://www.ebi.ac.uk/chembl/assay_report_card/CHEMBL891578/  target=_blank>CHEMBL891578</a>";;;;;;;;;-4.71;;;;;;;;;;;;"Yu KL, Sin N, Civiello RL, Wang XA, Combrink KD, Gulgeze HB, Venables BL, Wright JJ, Dalterio RA, Zadjura L, Marino A, Dando S, D'Arienzo C, Kadow KF, Cianci CW, Li Z, Clarke J, Genovesi EV, Medina I, Lamb L, Colonno RJ, Yang Z, Krystal M, Meanwell NA.: Respiratory syncytial virus fusion inhibitors. Part 4: optimization for oral bioavailability. Bioorg Med Chem Lett, Volume 17 (4), 2007";ChEMBL
MM475890;MM475890;COc1ccc(-n2nc(Cn3cnnn3)c3c2C(=O)N(c2ccc(-c4ccccc4CN4CCC(O)C4)cc2)CC3)cc1;XSEZTBVLOUTJTF-AREMUKBSSA-N;576.66;3.35;23635133;;;CHEMBL395372;CACO;ECACO;25;0;"<a href=https://www.ebi.ac.uk/chembl/assay_report_card/CHEMBL900671/  target=_blank>CHEMBL900671</a>";;;;;;;;;-6.05;;;;;;;;;;;;"Pinto DJ, Orwat MJ, Koch S, Rossi KA, Alexander RS, Smallwood A, Wong PC, Rendina AR, Luettgen JM, Knabb RM, He K, Xin B, Wexler RR, Lam PY.: Discovery of 1-(4-methoxyphenyl)-7-oxo-6-(4-(2-oxopiperidin-1-yl)phenyl)-4,5,6,7-tetrahydro-1H-pyrazolo[3,4-c]pyridine-3-carboxamide (apixaban, BMS-562247), a highly potent, selective, efficacious, and orally bioavailable inhibitor of blood coagulation factor Xa. J Med Chem, Volume 50 (22), 2007";ChEMBL
MM475891;MM475891;N#Cc1cc(CC(Nc2nc3ccccc3s2)c2nc3ccccc3[nH]2)ccc1C1CC(=O)NS1(=O)=O;ACQAZSOWCXPIAZ-BBQAJUCSSA-N;528.62;4.33;23646704;;;CHEMBL395386;CACO;ECACO;25;0;"<a href=https://www.ebi.ac.uk/chembl/assay_report_card/CHEMBL902513/  target=_blank>CHEMBL902513</a>";;;;;;;;;-6.3;;;;;;;;;;;;"Sparks RB, Polam P, Zhu W, Crawley ML, Takvorian A, McLaughlin E, Wei M, Ala PJ, Gonneville L, Taylor N, Li Y, Wynn R, Burn TC, Liu PC, Combs AP.: Benzothiazole benzimidazole (S)-isothiazolidinone derivatives as protein tyrosine phosphatase-1B inhibitors. Bioorg Med Chem Lett, Volume 17 (3), 2007";ChEMBL
MM475892;MM475892;CC(N)C(NC(=O)CCC(=O)OCCNC(=S)Nc1ccc(-c2c3ccc(=O)cc-3oc3cc(O)ccc23)c(C(=O)O)c1)C(=O)NCCCC(=O)NC(CCCNC(=N)N)C(=O)NC(CCCNC(=N)N)C(=O)NC(CCCNC(=N)N)C(=O)NC(CCCNC(=N)N)C(=O)NC(CCCNC(=N)N)C(=O)NC(CCCNC(=N)N)C(=O)NC(CCCNC(=N)N)C(N)=O;YNVCHJKRSILZKQ-SAMNSCDLSA-N;1828.11;-6.97;44435658;;;CHEMBL395635;CACO;ECACO;25;0;"<a href=https://www.ebi.ac.uk/chembl/assay_report_card/CHEMBL898000/  target=_blank>CHEMBL898000</a>";;;;;;;;;-6.32;;;;;;;;;;;;"Hayashi Y, Takayama K, Suehisa Y, Fujita T, Nguyen JT, Futaki S, Yamamoto A, Kiso Y.: Development of oligoarginine-drug conjugates linked to new peptidic self-cleavable spacers toward effective intestinal absorption. Bioorg Med Chem Lett, Volume 17 (18), 2007";ChEMBL
MM475893;MM475893;Nc1noc2ccc(-n3nc(C(F)(F)F)cc3C(=O)NC3CCN(c4ccccc4CN4CCCC4O)CC3)cc12;IYCGPDFYFRTXIV-RUZDIDTESA-N;569.59;3.93;23648148;;;CHEMBL395823;CACO;ECACO;25;0;"<a href=https://www.ebi.ac.uk/chembl/assay_report_card/CHEMBL885807/  target=_blank>CHEMBL885807</a>";;;;;;;;;-6.7;;;;;;;;;;;;"Qiao JX, Cheng X, Smallheer JM, Galemmo RA, Drummond S, Pinto DJ, Cheney DL, He K, Wong PC, Luettgen JM, Knabb RM, Wexler RR, Lam PY.: Pyrazole-based factor Xa inhibitors containing N-arylpiperidinyl P4 residues. Bioorg Med Chem Lett, Volume 17 (5), 2007";ChEMBL
MM475899;MM475899;CNC(Cc1ccccc1)C(=O)N(C)CC(=O)NCC(=O)NCC(=O)NCC(=O)N(C)C(Cc1ccccc1)C(N)=O;;581.67;-1.82;23731179;;;CHEMBL396440;CACO;ECACO;25;0;"<a href=https://www.ebi.ac.uk/chembl/assay_report_card/CHEMBL901110/  target=_blank>CHEMBL901110</a>";;;;;;;;;-6.24;;;;;;;;;;;;"Hess S, Ovadia O, Shalev DE, Senderovich H, Qadri B, Yehezkel T, Salitra Y, Sheynis T, Jelinek R, Gilon C, Hoffman A.: Effect of structural and conformation modifications, including backbone cyclization, of hydrophilic hexapeptides on their intestinal permeability and enzymatic stability. J Med Chem, Volume 50 (24), 2007";ChEMBL
MM475899;MM475899;CNC(Cc1ccccc1)C(=O)N(C)CC(=O)NCC(=O)NCC(=O)NCC(=O)N(C)C(Cc1ccccc1)C(N)=O;;581.67;-1.82;23731179;;;CHEMBL396440;CACO;ECACO;25;0;"<a href=https://www.ebi.ac.uk/chembl/assay_report_card/CHEMBL901111/  target=_blank>CHEMBL901111</a>";;;;;;;;;-5.76;;;;;;;;;;;;"Hess S, Ovadia O, Shalev DE, Senderovich H, Qadri B, Yehezkel T, Salitra Y, Sheynis T, Jelinek R, Gilon C, Hoffman A.: Effect of structural and conformation modifications, including backbone cyclization, of hydrophilic hexapeptides on their intestinal permeability and enzymatic stability. J Med Chem, Volume 50 (24), 2007";ChEMBL
MM475900;MM475900;O=C1CC(c2ccc(CC(Nc3nc4ccccc4s3)c3nc4ccc(Cl)cc4[nH]3)cc2)S(=O)(=O)N1;YAYDJMKEWVNQFY-AIBWNMTMSA-N;538.05;5.11;23646700;;;CHEMBL396583;CACO;ECACO;25;0;"<a href=https://www.ebi.ac.uk/chembl/assay_report_card/CHEMBL902513/  target=_blank>CHEMBL902513</a>";;;;;;;;;-6.1;;;;;;;;;;;;"Sparks RB, Polam P, Zhu W, Crawley ML, Takvorian A, McLaughlin E, Wei M, Ala PJ, Gonneville L, Taylor N, Li Y, Wynn R, Burn TC, Liu PC, Combs AP.: Benzothiazole benzimidazole (S)-isothiazolidinone derivatives as protein tyrosine phosphatase-1B inhibitors. Bioorg Med Chem Lett, Volume 17 (3), 2007";ChEMBL
MM475901;MM475901;N#Cc1ccc2nc(C(Cc3ccc(C4CC(=O)NS4(=O)=O)cc3)Nc3nc4ccccc4s3)[nH]c2c1;KURDXZVTVJKSSE-BBQAJUCSSA-N;528.62;4.33;23646701;;;CHEMBL396584;CACO;ECACO;25;0;"<a href=https://www.ebi.ac.uk/chembl/assay_report_card/CHEMBL902513/  target=_blank>CHEMBL902513</a>";;;;;;;;;-6.4;;;;;;;;;;;;"Sparks RB, Polam P, Zhu W, Crawley ML, Takvorian A, McLaughlin E, Wei M, Ala PJ, Gonneville L, Taylor N, Li Y, Wynn R, Burn TC, Liu PC, Combs AP.: Benzothiazole benzimidazole (S)-isothiazolidinone derivatives as protein tyrosine phosphatase-1B inhibitors. Bioorg Med Chem Lett, Volume 17 (3), 2007";ChEMBL
MM475904;MM475904;CNCc1ccccc1N1CCC(NC(=O)c2cc(C(F)(F)F)nn2-c2ccc3onc(N)c3c2)CC1;JNNNQOVXXHMSBM-UHFFFAOYSA-N;513.52;3.73;23648149;;;CHEMBL397124;CACO;ECACO;25;0;"<a href=https://www.ebi.ac.uk/chembl/assay_report_card/CHEMBL885807/  target=_blank>CHEMBL885807</a>";;;;;;;;;-7;;;;;;;;;;;;"Qiao JX, Cheng X, Smallheer JM, Galemmo RA, Drummond S, Pinto DJ, Cheney DL, He K, Wong PC, Luettgen JM, Knabb RM, Wexler RR, Lam PY.: Pyrazole-based factor Xa inhibitors containing N-arylpiperidinyl P4 residues. Bioorg Med Chem Lett, Volume 17 (5), 2007";ChEMBL
MM475907;MM475907;O=C(Nc1ccc(Cl)cc1)c1ccnn1CCc1ccncc1;RDCNEJGSOLCHQO-UHFFFAOYSA-N;326.79;3.43;44431890;;;CHEMBL397323;CACO;ECACO;25;0;"<a href=https://www.ebi.ac.uk/chembl/assay_report_card/CHEMBL897525/  target=_blank>CHEMBL897525</a>";;;;;;;;;-5.16;;;;;;;;;;;;"Kiselyov AS, Milligan D, Ouyang X.: Novel inhibitors of VEGF receptors-1 and -2 based on azole-5-carboxamide templates. Bioorg Med Chem Lett, Volume 17 (13), 2007";ChEMBL
MM475910;MM475910;N#Cc1ccc2nc(NC(Cc3ccc(C4CC(=O)NS4(=O)=O)cc3)c3nc4ccccc4[nH]3)sc2c1;MIBJOQNZLGSJQS-BBQAJUCSSA-N;528.62;4.33;23646694;;;CHEMBL398020;CACO;ECACO;25;0;"<a href=https://www.ebi.ac.uk/chembl/assay_report_card/CHEMBL902513/  target=_blank>CHEMBL902513</a>";;;;;;;;;-6.4;;;;;;;;;;;;"Sparks RB, Polam P, Zhu W, Crawley ML, Takvorian A, McLaughlin E, Wei M, Ala PJ, Gonneville L, Taylor N, Li Y, Wynn R, Burn TC, Liu PC, Combs AP.: Benzothiazole benzimidazole (S)-isothiazolidinone derivatives as protein tyrosine phosphatase-1B inhibitors. Bioorg Med Chem Lett, Volume 17 (3), 2007";ChEMBL
MM475914;MM475914;O=c1n(Cc2nc3ccccc3n2CCCCF)c2cnccc2n1C1CC1;HRZCSWIVEIQDQW-UHFFFAOYSA-N;379.44;3.68;;;;;CACO;ECACO;25;0;"<a href=https://www.ebi.ac.uk/chembl/assay_report_card/CHEMBL891578/  target=_blank>CHEMBL891578</a>";;;;;;;;;-4.61;;;;;;;;;;;;"Yu KL, Sin N, Civiello RL, Wang XA, Combrink KD, Gulgeze HB, Venables BL, Wright JJ, Dalterio RA, Zadjura L, Marino A, Dando S, D'Arienzo C, Kadow KF, Cianci CW, Li Z, Clarke J, Genovesi EV, Medina I, Lamb L, Colonno RJ, Yang Z, Krystal M, Meanwell NA.: Respiratory syncytial virus fusion inhibitors. Part 4: optimization for oral bioavailability. Bioorg Med Chem Lett, Volume 17 (4), 2007";ChEMBL
MM475920;MM475920;NC(=O)c1cc(C(=O)N2CCc3cc(-c4ccccc4CN4CCCC4)ccc32)n(-c2ccc3onc(N)c3c2)n1;YEIXBTGYWGRTKX-UHFFFAOYSA-N;547.62;4.16;44444416;;;CHEMBL399332;CACO;ECACO;25;0;"<a href=https://www.ebi.ac.uk/chembl/assay_report_card/CHEMBL941671/  target=_blank>CHEMBL941671</a>";;;;;;;;;-6.15;;;;;;;;;;;;"Varnes JG, Wacker DA, Jacobson IC, Quan ML, Ellis CD, Rossi KA, He MY, Luettgen JM, Knabb RM, Bai S, He K, Lam PY, Wexler RR.: Design, structure-activity relationship, and pharmacokinetic profile of pyrazole-based indoline factor Xa inhibitors. Bioorg Med Chem Lett, Volume 17 (23), 2007";ChEMBL
MM475921;MM475921;NC(=O)c1cc(C(=O)N2CCc3cc(-n4ccccc4=O)ccc32)n(-c2ccc3onc(N)c3c2)n1;UQHLDZFSQPJXIW-UHFFFAOYSA-N;481.47;2.05;11698686;;;CHEMBL399345;CACO;ECACO;25;0;"<a href=https://www.ebi.ac.uk/chembl/assay_report_card/CHEMBL941671/  target=_blank>CHEMBL941671</a>";;;;;;;;;-7;;;;;;;;;;;;"Varnes JG, Wacker DA, Jacobson IC, Quan ML, Ellis CD, Rossi KA, He MY, Luettgen JM, Knabb RM, Bai S, He K, Lam PY, Wexler RR.: Design, structure-activity relationship, and pharmacokinetic profile of pyrazole-based indoline factor Xa inhibitors. Bioorg Med Chem Lett, Volume 17 (23), 2007";ChEMBL
MM475922;MM475922;CC(C)(C)c1ccc(NC(=O)c2ccnn2CCc2ccncc2)cc1;AGXYJGOJFCYJET-UHFFFAOYSA-N;348.45;4.07;44431902;;;CHEMBL399605;CACO;ECACO;25;0;"<a href=https://www.ebi.ac.uk/chembl/assay_report_card/CHEMBL897525/  target=_blank>CHEMBL897525</a>";;;;;;;;;-5.13;;;;;;;;;;;;"Kiselyov AS, Milligan D, Ouyang X.: Novel inhibitors of VEGF receptors-1 and -2 based on azole-5-carboxamide templates. Bioorg Med Chem Lett, Volume 17 (13), 2007";ChEMBL
MM475925;MM475925;Nc1noc2ccc(-n3nc(C(F)(F)F)cc3C(=O)N3CCc4cc(-c5ccccc5S(N)(=O)=O)ccc43)cc12;CCFWKNLIRQRUNI-UHFFFAOYSA-N;568.54;4.13;9894223;;;CHEMBL399956;CACO;ECACO;25;0;"<a href=https://www.ebi.ac.uk/chembl/assay_report_card/CHEMBL941671/  target=_blank>CHEMBL941671</a>";;;;;;;;;-6.52;;;;;;;;;;;;"Varnes JG, Wacker DA, Jacobson IC, Quan ML, Ellis CD, Rossi KA, He MY, Luettgen JM, Knabb RM, Bai S, He K, Lam PY, Wexler RR.: Design, structure-activity relationship, and pharmacokinetic profile of pyrazole-based indoline factor Xa inhibitors. Bioorg Med Chem Lett, Volume 17 (23), 2007";ChEMBL
MM475926;MM475926;CC(=O)Nc1cccc(-c2ccc(Cc3ocnc3C(=O)NC(Cc3ccccc3)C(=O)O)cc2)c1;YONIHIOBDIZSOE-DEOSSOPVSA-N;483.52;4.32;16664733;;;CHEMBL400404;CACO;ECACO;25;0;"<a href=https://www.ebi.ac.uk/chembl/assay_report_card/CHEMBL895999/  target=_blank>CHEMBL895999</a>";;;;;;;;;-5.26;;;;;;;;;;;;"Brescia MR, Rokosz LL, Cole AG, Stauffer TM, Lehrach JM, Auld DS, Henderson I, Webb ML.: Discovery and preliminary evaluation of 5-(4-phenylbenzyl)oxazole-4-carboxamides as prostacyclin receptor antagonists. Bioorg Med Chem Lett, Volume 17 (5), 2007";ChEMBL
MM475930;MM475930;Cc1ccc(N2CCN(C(=O)C(C)Cc3ccc(Cl)cc3)CC2)c(C(N)C(C)C)c1;;428.02;4.83;23635105;;;CHEMBL401250;CACO;ECACO;25;0;"<a href=https://www.ebi.ac.uk/chembl/assay_report_card/CHEMBL963797/  target=_blank>CHEMBL963797</a>";;;;;;;;;-5.3;;;;;;;;;;;;"Chen C, Tucci FC, Jiang W, Tran JA, Fleck BA, Hoare SR, Wen J, Chen T, Johns M, Markison S, Foster AC, Marinkovic D, Chen CW, Arellano M, Harman J, Saunders J, Bozigian H, Marks D.: Pharmacological and pharmacokinetic characterization of 2-piperazine-alpha-isopropyl benzylamine derivatives as melanocortin-4 receptor antagonists. Bioorg Med Chem, Volume 16 (10), 2008";ChEMBL
MM475930;MM475930;Cc1ccc(N2CCN(C(=O)C(C)Cc3ccc(Cl)cc3)CC2)c(C(N)C(C)C)c1;;428.02;4.83;23635105;;;CHEMBL401250;CACO;ECACO;25;0;"<a href=https://www.ebi.ac.uk/chembl/assay_report_card/CHEMBL900805/  target=_blank>CHEMBL900805</a>";;;;;;;;;-5.3;;;;;;;;;;;;"Chen C, Jiang W, Tucci F, Tran JA, Fleck BA, Hoare SR, Joppa M, Markison S, Wen J, Sai Y, Johns M, Madan A, Chen T, Chen CW, Marinkovic D, Arellano M, Saunders J, Foster AC.: Discovery of 1-[2-[(1S)-(3-dimethylaminopropionyl)amino-2-methylpropyl]-4-methylphenyl]-4-[(2R)-methyl-3-(4-chlorophenyl)-propionyl]piperazine as an orally active antagonist of the melanocortin-4 receptor for the potential treatment of cachexia. J Med Chem, Volume 50 (22), 2007";ChEMBL
MM475931;MM475931;Cc1cc(COc2ccc(C(=O)NC3CC4(CC3C(=O)NO)OCCO4)cc2)c2ccccc2n1;KRGIXMSVPSMLII-JTHBVZDNSA-N;477.52;2.88;9956692;;;CHEMBL401263;CACO;ECACO;25;0;"<a href=https://www.ebi.ac.uk/chembl/assay_report_card/CHEMBL945137/  target=_blank>CHEMBL945137</a>";;;;;;;;;-5.74;;;;;;;;;;;;"Ott GR, Asakawa N, Liu RQ, Covington MB, Qian M, Vaddi K, Newton RC, Trzaskos JM, Christ DD, Galya L, Scholz T, Marshall W, Duan JJ.: Alpha,Beta-cyclic-beta-benzamido hydroxamic acids: Novel oxaspiro[4.4]nonane templates for the discovery of potent, selective, orally bioavailable inhibitors of tumor necrosis factor-alpha converting enzyme (TACE). Bioorg Med Chem Lett, Volume 18 (4), 2008";ChEMBL
MM475932;MM475932;Cc1cc(Cc2ccc(C(=O)NC3CCCC3C(=O)NO)cc2)c2ccccc2n1;CKGRNUKOQHVJOB-RBBKRZOGSA-N;403.48;3.54;20728102;;;CHEMBL401454;CACO;ECACO;25;0;"<a href=https://www.ebi.ac.uk/chembl/assay_report_card/CHEMBL897361/  target=_blank>CHEMBL897361</a>";;;;;;;;;-5.92;;;;;;;;;;;;"Chen XT, Ghavimi B, Corbett RL, Xue CB, Liu RQ, Covington MB, Qian M, Vaddi KG, Christ DD, Hartman KD, Ribadeneira MD, Trzaskos JM, Newton RC, Decicco CP, Duan JJ.: A new 4-(2-methylquinolin-4-ylmethyl)phenyl P1' group for the beta-amino hydroxamic acid derived TACE inhibitors. Bioorg Med Chem Lett, Volume 17 (7), 2007";ChEMBL
MM475933;MM475933;Cc1cc(COc2ccc(C(=O)N[C@@H]3C[C@@]4(CCCO4)C[C@@H]3C(=O)NO)cc2)c2ccccc2n1;AZIJSGUGQIBFMD-CAKYRVLISA-N;475.55;3.69;;;;;CACO;ECACO;25;0;"<a href=https://www.ebi.ac.uk/chembl/assay_report_card/CHEMBL945137/  target=_blank>CHEMBL945137</a>";;;;;;;;;-5.24;;;;;;;;;;;;"Ott GR, Asakawa N, Liu RQ, Covington MB, Qian M, Vaddi K, Newton RC, Trzaskos JM, Christ DD, Galya L, Scholz T, Marshall W, Duan JJ.: Alpha,Beta-cyclic-beta-benzamido hydroxamic acids: Novel oxaspiro[4.4]nonane templates for the discovery of potent, selective, orally bioavailable inhibitors of tumor necrosis factor-alpha converting enzyme (TACE). Bioorg Med Chem Lett, Volume 18 (4), 2008";ChEMBL
MM475935;MM475935;CCN(CC)C(=O)[C@@]1(c2ccsc2)C[C@H]1CN;BJQGGALRPGCIFD-WCQYABFASA-N;252.38;1.83;;;;;CACO;ECACO;25;0;"<a href=https://www.ebi.ac.uk/chembl/assay_report_card/CHEMBL931359/  target=_blank>CHEMBL931359</a>";;;;;;;;;-5.33;;;;;;;;;;;;"Vickers T, Dyck B, Tamiya J, Zhang M, Jovic F, Grey J, Fleck BA, Aparicio A, Johns M, Jin L, Tang H, Foster AC, Chen C.: Studies on a series of milnacipran analogs containing a heteroaromatic group as potent norepinephrine and serotonin transporter inhibitors. Bioorg Med Chem Lett, Volume 18 (11), 2008";ChEMBL
MM475936;MM475936;CC(C)CCn1nc(-c2cccs2)c(O)c(C2=NS(=O)(=O)c3cc(NS(C)(=O)=O)ccc3N2)c1=O;;537.65;2.47;135566425;;;CHEMBL401825;CACO;ECACO;25;0;"<a href=https://www.ebi.ac.uk/chembl/assay_report_card/CHEMBL983545/  target=_blank>CHEMBL983545</a>";;;;;;;;;-7.7;;;;;;;;;;;;"Dragovich PS, Blazel JK, Ellis DA, Han Q, Kamran R, Kissinger CR, LeBrun LA, Li LS, Murphy DE, Noble M, Patel RA, Ruebsam F, Sergeeva MV, Shah AM, Showalter RE, Tran CV, Tsan M, Webber SE, Kirkovsky L, Zhou Y.: Novel HCV NS5B polymerase inhibitors derived from 4-(1',1'-dioxo-1',4'-dihydro-1'lambda(6)-benzo[1',2',4']thiadiazin-3'-yl)-5-hydroxy-2H-pyridazin-3-ones. Part 5: Exploration of pyridazinones containing 6-amino-substituents. Bioorg Med Chem Lett, Volume 18 (20), 2008";ChEMBL
MM475937;MM475937;Cc1cc(N2CCOCC2)cc2[nH]c(-c3c(NCC(O)c4cccc(Cl)c4)cc[nH]c3=O)nc12;ZWVZORIKUNOTCS-OAQYLSRUSA-N;479.97;3.86;135440466;;;CHEMBL401930;CACO;ECACO;25;0;"<a href=https://www.ebi.ac.uk/chembl/assay_report_card/CHEMBL980918/  target=_blank>CHEMBL980918</a>";;;;;;;;;-5.74;;;;;;;;;;;;"Velaparthi U, Wittman M, Liu P, Carboni JM, Lee FY, Attar R, Balimane P, Clarke W, Sinz MW, Hurlburt W, Patel K, Discenza L, Kim S, Gottardis M, Greer A, Li A, Saulnier M, Yang Z, Zimmermann K, Trainor G, Vyas D.: Discovery and evaluation of 4-(2-(4-chloro-1H-pyrazol-1-yl)ethylamino)-3-(6-(1-(3-fluoropropyl)piperidin-4-yl)-4-methyl-1H-benzo[d]imidazol-2-yl)pyridin-2(1H)-one (BMS-695735), an orally efficacious inhibitor of insulin-like growth factor-1 receptor kinase with broad spectrum in vivo antitumor activity. J Med Chem, Volume 51 (19), 2008";ChEMBL
MM475942;MM475942;C=C(F)CN(C)C(=O)[C@@]1(c2ccsc2)C[C@H]1CN;CMSMRUGCRICBLQ-WCQYABFASA-N;268.36;1.91;;;;;CACO;ECACO;25;0;"<a href=https://www.ebi.ac.uk/chembl/assay_report_card/CHEMBL931359/  target=_blank>CHEMBL931359</a>";;;;;;;;;-4.86;;;;;;;;;;;;"Vickers T, Dyck B, Tamiya J, Zhang M, Jovic F, Grey J, Fleck BA, Aparicio A, Johns M, Jin L, Tang H, Foster AC, Chen C.: Studies on a series of milnacipran analogs containing a heteroaromatic group as potent norepinephrine and serotonin transporter inhibitors. Bioorg Med Chem Lett, Volume 18 (11), 2008";ChEMBL
MM475943;MM475943;NC[C@@H]1C[C@@]1(C(=O)N1C=COc2ccccc21)c1ccsc1;FYGDANPUVIMKMO-SUMWQHHRSA-N;312.39;2.86;;;;;CACO;ECACO;25;0;"<a href=https://www.ebi.ac.uk/chembl/assay_report_card/CHEMBL931359/  target=_blank>CHEMBL931359</a>";;;;;;;;;-4.7;;;;;;;;;;;;"Vickers T, Dyck B, Tamiya J, Zhang M, Jovic F, Grey J, Fleck BA, Aparicio A, Johns M, Jin L, Tang H, Foster AC, Chen C.: Studies on a series of milnacipran analogs containing a heteroaromatic group as potent norepinephrine and serotonin transporter inhibitors. Bioorg Med Chem Lett, Volume 18 (11), 2008";ChEMBL
MM475944;MM475944;Nc1noc2ccc(-n3nc(C(F)(F)F)cc3C(=O)Cc3ccc(N4CCCCC4=O)cc3)cc12;RASIDBNWCVIECX-UHFFFAOYSA-N;483.45;4.56;44446651;;;CHEMBL402166;CACO;ECACO;25;0;"<a href=https://www.ebi.ac.uk/chembl/assay_report_card/CHEMBL927724/  target=_blank>CHEMBL927724</a>";;;;;;;;;-4.64;;;;;;;;;;;;"Varnes JG, Wacker DA, Pinto DJ, Orwat MJ, Theroff JP, Wells B, Galemo RA, Luettgen JM, Knabb RM, Bai S, He K, Lam PY, Wexler RR.: Structure-activity relationship and pharmacokinetic profile of 5-ketopyrazole factor Xa inhibitors. Bioorg Med Chem Lett, Volume 18 (2), 2008";ChEMBL
MM475947;MM475947;C#CCN(CC#C)C(=O)[C@@]1(c2ccc3c(c2)OCCO3)C[C@H]1CN;GRFLLIUZAGYUSO-HNAYVOBHSA-N;324.38;0.77;;;;;CACO;ECACO;25;0;"<a href=https://www.ebi.ac.uk/chembl/assay_report_card/CHEMBL930503/  target=_blank>CHEMBL930503</a>";;;;;;;;;-5.28;;;;;;;;;;;;"Tamiya J, Dyck B, Zhang M, Phan K, Fleck BA, Aparicio A, Jovic F, Tran JA, Vickers T, Grey J, Foster AC, Chen C.: Identification of 1S,2R-milnacipran analogs as potent norepinephrine and serotonin transporter inhibitors. Bioorg Med Chem Lett, Volume 18 (11), 2008";ChEMBL
MM475948;MM475948;Cc1cc(COc2ccc(C(=O)NC3CCCC3C(=O)NO)cc2)c2ccccc2n1;;419.48;3.53;10387351;;;CHEMBL402746;CACO;ECACO;25;0;"<a href=https://www.ebi.ac.uk/chembl/assay_report_card/CHEMBL927613/  target=_blank>CHEMBL927613</a>";;;;;;;;;-5.05;;;;;;;;;;;;"Duan JJ, Chen L, Lu Z, Xue CB, Liu RQ, Covington MB, Qian M, Wasserman ZR, Vaddi K, Christ DD, Trzaskos JM, Newton RC, Decicco CP.: Discovery of beta-benzamido hydroxamic acids as potent, selective, and orally bioavailable TACE inhibitors. Bioorg Med Chem Lett, Volume 18 (1), 2008";ChEMBL
MM475949;MM475949;Cc1cc(COc2ccc(C(=O)NC3CNCCC3C(=O)NO)cc2)c2ccccc2n1;LLSVCNPSBKMSMJ-RBBKRZOGSA-N;434.5;2.34;44446358;;;CHEMBL402992;CACO;ECACO;25;0;"<a href=https://www.ebi.ac.uk/chembl/assay_report_card/CHEMBL927613/  target=_blank>CHEMBL927613</a>";;;;;;;;;-6.7;;;;;;;;;;;;"Duan JJ, Chen L, Lu Z, Xue CB, Liu RQ, Covington MB, Qian M, Wasserman ZR, Vaddi K, Christ DD, Trzaskos JM, Newton RC, Decicco CP.: Discovery of beta-benzamido hydroxamic acids as potent, selective, and orally bioavailable TACE inhibitors. Bioorg Med Chem Lett, Volume 18 (1), 2008";ChEMBL
MM475950;MM475950;COc1ccc(-n2nc(C(N)=O)cc2C(=O)Cc2ccc(-n3ccccc3=O)cc2F)cc1;MRPLIGSOQUCMBC-UHFFFAOYSA-N;446.44;2.7;10275412;;;CHEMBL403042;CACO;ECACO;25;0;"<a href=https://www.ebi.ac.uk/chembl/assay_report_card/CHEMBL927724/  target=_blank>CHEMBL927724</a>";;;;;;;;;-5.66;;;;;;;;;;;;"Varnes JG, Wacker DA, Pinto DJ, Orwat MJ, Theroff JP, Wells B, Galemo RA, Luettgen JM, Knabb RM, Bai S, He K, Lam PY, Wexler RR.: Structure-activity relationship and pharmacokinetic profile of 5-ketopyrazole factor Xa inhibitors. Bioorg Med Chem Lett, Volume 18 (2), 2008";ChEMBL
MM475955;MM475955;COc1c(NC(=O)c2ccc(C)c(N3C=C(C(=O)NCC(C)(C)O)NN3)c2)cc(C(C)(C)C)cc1NS(C)(=O)=O;MAUJJOIHXTUXAT-UHFFFAOYSA-N;574.7;2.48;44449086;;;CHEMBL403454;CACO;ECACO;25;0;"<a href=https://www.ebi.ac.uk/chembl/assay_report_card/CHEMBL927883/  target=_blank>CHEMBL927883</a>";;;;;;;;;-5.13;;;;;;;;;;;;"Cogan DA, Aungst R, Breinlinger EC, Fadra T, Goldberg DR, Hao MH, Kroe R, Moss N, Pargellis C, Qian KC, Swinamer AD.: Structure-based design and subsequent optimization of 2-tolyl-(1,2,3-triazol-1-yl-4-carboxamide) inhibitors of p38 MAP kinase. Bioorg Med Chem Lett, Volume 18 (11), 2008";ChEMBL
MM475956;MM475956;C=CCN(CCOC)C(=O)[C@@]1(c2ccsc2)C[C@H]1CN;RBKMRYYKCJETLF-DZGCQCFKSA-N;294.42;1.63;;;;;CACO;ECACO;25;0;"<a href=https://www.ebi.ac.uk/chembl/assay_report_card/CHEMBL931359/  target=_blank>CHEMBL931359</a>";;;;;;;;;-5.62;;;;;;;;;;;;"Vickers T, Dyck B, Tamiya J, Zhang M, Jovic F, Grey J, Fleck BA, Aparicio A, Johns M, Jin L, Tang H, Foster AC, Chen C.: Studies on a series of milnacipran analogs containing a heteroaromatic group as potent norepinephrine and serotonin transporter inhibitors. Bioorg Med Chem Lett, Volume 18 (11), 2008";ChEMBL
MM475958;MM475958;Cc1cc(COc2ccc(C(=O)NC3CCNCC3C(=O)NO)cc2)c2ccccc2n1;FAAUHWULQKLSFX-RBBKRZOGSA-N;434.5;2.34;44446356;;;CHEMBL403684;CACO;ECACO;25;0;"<a href=https://www.ebi.ac.uk/chembl/assay_report_card/CHEMBL927613/  target=_blank>CHEMBL927613</a>";;;;;;;;;-6.7;;;;;;;;;;;;"Duan JJ, Chen L, Lu Z, Xue CB, Liu RQ, Covington MB, Qian M, Wasserman ZR, Vaddi K, Christ DD, Trzaskos JM, Newton RC, Decicco CP.: Discovery of beta-benzamido hydroxamic acids as potent, selective, and orally bioavailable TACE inhibitors. Bioorg Med Chem Lett, Volume 18 (1), 2008";ChEMBL
MM475961;MM475961;Cc1cc(COc2ccc(C(=O)NC3CCCOC3C(=O)NO)cc2)c2ccccc2n1;JEYWSEIQOOZERG-YADHBBJMSA-N;435.48;2.91;44446360;;;CHEMBL404083;CACO;ECACO;25;0;"<a href=https://www.ebi.ac.uk/chembl/assay_report_card/CHEMBL927613/  target=_blank>CHEMBL927613</a>";;;;;;;;;-7.22;;;;;;;;;;;;"Duan JJ, Chen L, Lu Z, Xue CB, Liu RQ, Covington MB, Qian M, Wasserman ZR, Vaddi K, Christ DD, Trzaskos JM, Newton RC, Decicco CP.: Discovery of beta-benzamido hydroxamic acids as potent, selective, and orally bioavailable TACE inhibitors. Bioorg Med Chem Lett, Volume 18 (1), 2008";ChEMBL
MM475970;MM475970;NC(=O)CN1CCNC(=O)CCCC(=O)NC(Cc2ccccc2)C(=O)NC(Cc2ccccc2)C(=O)NC(CCCN=C(N)N)C(=O)NC(Cc2c[nH]c3ccccc23)C1=O;PEATXQQSUKEHHE-KFIZHRIMSA-N;849.99;0.01;44456964;;;CHEMBL406985;CACO;ECACO;25;0;"<a href=https://www.ebi.ac.uk/chembl/assay_report_card/CHEMBL932308/  target=_blank>CHEMBL932308</a>";;;;;;;;;-4.68;;;;;;;;;;;;"Hess S, Linde Y, Ovadia O, Safrai E, Shalev DE, Swed A, Halbfinger E, Lapidot T, Winkler I, Gabinet Y, Faier A, Yarden D, Xiang Z, Portillo FP, Haskell-Luevano C, Gilon C, Hoffman A.: Backbone cyclic peptidomimetic melanocortin-4 receptor agonist as a novel orally administrated drug lead for treating obesity. J Med Chem, Volume 51 (4), 2008";ChEMBL
MM475971;MM475971;NC(=O)CN1CCNC(=O)CCC(=O)NC(Cc2ccccc2)C(=O)NC(Cc2ccccc2)C(=O)NC(CCCN=C(N)N)C(=O)NC(Cc2c[nH]c3ccccc23)C1=O;SDQCGYICPSEQGF-KMSCUOMXSA-N;835.97;-0.38;15602927;;;CHEMBL408398;CACO;ECACO;25;0;"<a href=https://www.ebi.ac.uk/chembl/assay_report_card/CHEMBL932308/  target=_blank>CHEMBL932308</a>";;;;;;;;;-4.75;;;;;;;;;;;;"Hess S, Linde Y, Ovadia O, Safrai E, Shalev DE, Swed A, Halbfinger E, Lapidot T, Winkler I, Gabinet Y, Faier A, Yarden D, Xiang Z, Portillo FP, Haskell-Luevano C, Gilon C, Hoffman A.: Backbone cyclic peptidomimetic melanocortin-4 receptor agonist as a novel orally administrated drug lead for treating obesity. J Med Chem, Volume 51 (4), 2008";ChEMBL
MM475972;MM475972;CC(C)CC1NC(=O)C(CC(N)=O)NC(=O)C(CO)NC(=O)C(Cc2c[nH]cn2)NC(=O)C(CCC(=O)O)NC(=O)C(CC(C)C)NC(=O)C(Cc2c[nH]cn2)NC(=O)C2CSSCC(NC(=O)CN)C(=O)NC(CSSCC(C(=O)O)NC1=O)C(=O)NC(CO)C(=O)NC(CC(N)=O)C(=O)N1CCCC1C(=O)NC(C(C)C)C(=O)N2;FXPHMIBINXOVEF-XCQLYXDWSA-N;1711.95;-9.12;44458900;;;CHEMBL408568;CACO;ECACO;25;0;"<a href=https://www.ebi.ac.uk/chembl/assay_report_card/CHEMBL657441/  target=_blank>CHEMBL657441</a>";;;;;;;;;-4.69;;;;;;;;;;;;"Blanchfield JT, Dutton JL, Hogg RC, Gallagher OP, Craik DJ, Jones A, Adams DJ, Lewis RJ, Alewood PF, Toth I.: Synthesis, structure elucidation, in vitro biological activity, toxicity, and Caco-2 cell permeability of lipophilic analogues of alpha-conotoxin MII. J Med Chem, Volume 46 (7), 2003";ChEMBL
MM475973;MM475973;O=C(O)CN1C(=O)[C@]2(CC(=O)N(Cc3cc(Cl)ccc3F)C2)c2cc(Cl)ccc21;ABVCZPJCOYQLBK-FQEVSTJZSA-N;437.25;3.23;;;;;CACO;ECACO;25;0;"<a href=https://www.ebi.ac.uk/chembl/assay_report_card/CHEMBL937320/  target=_blank>CHEMBL937320</a>";;;;;;;;;-5.74;;;;;;;;;;;;"Crosignani S, Page P, Missotten M, Colovray V, Cleva C, Arrighi JF, Atherall J, Macritchie J, Martin T, Humbert Y, Gaudet M, Pupowicz D, Maio M, Pittet PA, Golzio L, Giachetti C, Rocha C, Bernardinelli G, Filinchuk Y, Scheer A, Schwarz MK, Chollet A.: Discovery of a new class of potent, selective, and orally bioavailable CRTH2 (DP2) receptor antagonists for the treatment of allergic inflammatory diseases. J Med Chem, Volume 51 (7), 2008";ChEMBL
MM475975;MM475975;O=C(O)CN1C(=O)C2(CC(=O)N(Cc3ccccc3)C2=O)c2cc(Cl)ccc21;ZCDQMYGMUJCSPB-UHFFFAOYSA-N;398.8;1.97;15950271;;;CHEMBL410333;CACO;ECACO;25;0;"<a href=https://www.ebi.ac.uk/chembl/assay_report_card/CHEMBL937320/  target=_blank>CHEMBL937320</a>";;;;;;;;;-5.52;;;;;;;;;;;;"Crosignani S, Page P, Missotten M, Colovray V, Cleva C, Arrighi JF, Atherall J, Macritchie J, Martin T, Humbert Y, Gaudet M, Pupowicz D, Maio M, Pittet PA, Golzio L, Giachetti C, Rocha C, Bernardinelli G, Filinchuk Y, Scheer A, Schwarz MK, Chollet A.: Discovery of a new class of potent, selective, and orally bioavailable CRTH2 (DP2) receptor antagonists for the treatment of allergic inflammatory diseases. J Med Chem, Volume 51 (7), 2008";ChEMBL
MM475979;MM475979;CC(C)(C)C(=O)OCOC(=O)NC(=NCc1ccccc1)NC(=O)OCOC(=O)C(C)(C)C;MVNKPEGJEZCHNB-UHFFFAOYSA-N;465.5;3.09;44302747;;;CHEMBL417388;CACO;ECACO;25;0;"<a href=https://www.ebi.ac.uk/chembl/assay_report_card/CHEMBL656467/  target=_blank>CHEMBL656467</a>";;;;;;;;;-5.43;;;;;;;;;;;;10.1016/S0960-894X(01)80549-7;ChEMBL
MM475980;MM475980;COc1ccc2ccc(S(=O)(=O)NC(Cc3ccc4c(N)nccc4c3)C(=O)N3CCC(C)CC3)cc2c1;PYEVADFTHRFWHY-UHFFFAOYSA-N;532.67;4.13;;;;;CACO;ECACO;25;0;"<a href=https://www.ebi.ac.uk/chembl/assay_report_card/CHEMBL877667/  target=_blank>CHEMBL877667</a>";;;;;;;;;-5.12;;;;;;;;;;;;"Rewinkel JB, Lucas H, Smit MJ, Noach AB, van Dinther TG, Rood AM, Jenneboer AJ, van Boeckel CA.: Design, synthesis and testing of amino-bicycloaryl based orally bioavailable thrombin inhibitors. Bioorg Med Chem Lett, Volume 9 (19), 1999";ChEMBL
MM475981;MM475981;COc1ccc2ccc(S(=O)(=O)NC(Cc3cc4c(N)nccc4s3)C(=O)N3CCN(C)CC3)cc2c1;RWCSWKZHOBWMGP-UHFFFAOYSA-N;539.68;2.7;44328590;;;CHEMBL419881;CACO;ECACO;25;0;"<a href=https://www.ebi.ac.uk/chembl/assay_report_card/CHEMBL877667/  target=_blank>CHEMBL877667</a>";;;;;;;;;-5.66;;;;;;;;;;;;"Rewinkel JB, Lucas H, Smit MJ, Noach AB, van Dinther TG, Rood AM, Jenneboer AJ, van Boeckel CA.: Design, synthesis and testing of amino-bicycloaryl based orally bioavailable thrombin inhibitors. Bioorg Med Chem Lett, Volume 9 (19), 1999";ChEMBL
Sulfasalazine;MM00690;O=C(O)c1cc(N=Nc2ccc(S(=O)(=O)Nc3ccccn3)cc2)ccc1O;NCEXYHBECQHGNR-UHFFFAOYSA-N;398.4;3.7;5359476;DB00795;SAS;CHEMBL421;CACO;ECACO;25;0;"<a href=https://www.ebi.ac.uk/chembl/assay_report_card/CHEMBL635760/  target=_blank>CHEMBL635760</a>";;;;;;;;;-6.8;;;;;;;;;;;;"Stenberg P, Norinder U, Luthman K, Artursson P.: Experimental and computational screening models for the prediction of intestinal drug absorption. J Med Chem, Volume 44 (12), 2001";ChEMBL
Sulfasalazine;MM00690;O=C(O)c1cc(N=Nc2ccc(S(=O)(=O)Nc3ccccn3)cc2)ccc1O;NCEXYHBECQHGNR-UHFFFAOYSA-N;398.4;3.7;5359476;DB00795;SAS;CHEMBL421;CACO;ECACO;25;0;"<a href=https://www.ebi.ac.uk/chembl/assay_report_card/CHEMBL638024/  target=_blank>CHEMBL638024</a>";;;;;;;;;-6.8;;;;;;;;;;;;"Stenberg P, Norinder U, Luthman K, Artursson P.: Experimental and computational screening models for the prediction of intestinal drug absorption. J Med Chem, Volume 44 (12), 2001";ChEMBL
MM475983;MM475983;O=C(O)Cc1ccc(Cn2cnc3ccccc32)cc1;PWRPPVIOQOVICQ-UHFFFAOYSA-N;266.3;2.71;44375751;;;CHEMBL422194;CACO;ECACO;25;0;"<a href=https://www.ebi.ac.uk/chembl/assay_report_card/CHEMBL619363/  target=_blank>CHEMBL619363</a>";;;;;;;;;-5.58;;;;;;;;;;;;"Fichert T, Yazdanian M, Proudfoot JR.: A structure-permeability study of small drug-like molecules. Bioorg Med Chem Lett, Volume 13 (4), 2003";ChEMBL
MM475984;MM475984;Cc1cc(C(=O)Nc2ccc(-c3ccccc3S(C)(=O)=O)cc2F)n(-c2cccc(CN)c2)n1;QUWOWSNMEUHYIY-UHFFFAOYSA-N;478.55;4.1;10627268;;;CHEMBL422351;CACO;ECACO;25;0;"<a href=https://www.ebi.ac.uk/chembl/assay_report_card/CHEMBL635761/  target=_blank>CHEMBL635761</a>";;;;;;;;;-5.5;;;;;;;;;;;;"Pinto DJ, Orwat MJ, Wang S, Fevig JM, Quan ML, Amparo E, Cacciola J, Rossi KA, Alexander RS, Smallwood AM, Luettgen JM, Liang L, Aungst BJ, Wright MR, Knabb RM, Wong PC, Wexler RR, Lam PY.: Discovery of 1-[3-(aminomethyl)phenyl]-N-3-fluoro-2'-(methylsulfonyl)-[1,1'-biphenyl]-4-yl]-3-(trifluoromethyl)-1H-pyrazole-5-carboxamide (DPC423), a highly potent, selective, and orally bioavailable inhibitor of blood coagulation factor Xa. J Med Chem, Volume 44 (4), 2001";ChEMBL
MM475985;MM475985;Cc1cc(COc2ccc(NC(=O)C3CCN(C(=O)OCc4nccs4)CC3C(=O)NO)cc2)c2ccccc2n1;JOHYDRPBWMKVTC-ZEQRLZLVSA-N;575.65;4.3;44357000;;;CHEMBL422821;CACO;ECACO;25;0;"<a href=https://www.ebi.ac.uk/chembl/assay_report_card/CHEMBL655611/  target=_blank>CHEMBL655611</a>";;;;;;;;;-7;;;;;;;;;;;;"Xue CB, He X, Roderick J, Corbett RL, Duan JJ, Liu RQ, Covington MB, Qian M, Ribadeneira MD, Vaddi K, Christ DD, Newton RC, Trzaskos JM, Magolda RL, Wexler RR, Decicco CP.: Rational design, synthesis and structure-activity relationships of a cyclic succinate series of TNF-alpha converting enzyme inhibitors. Part 2: lead optimization. Bioorg Med Chem Lett, Volume 13 (24), 2003";ChEMBL
MM475988;MM475988;Cc1cc(COc2ccc(NC(=O)C3CCN(S(C)(=O)=O)CC3C(=O)NO)cc2)c2ccccc2n1;WWXZQIVISJRIMS-VXKWHMMOSA-N;512.59;2.46;44357012;;;CHEMBL423906;CACO;ECACO;25;0;"<a href=https://www.ebi.ac.uk/chembl/assay_report_card/CHEMBL655611/  target=_blank>CHEMBL655611</a>";;;;;;;;;-6.7;;;;;;;;;;;;"Xue CB, He X, Roderick J, Corbett RL, Duan JJ, Liu RQ, Covington MB, Qian M, Ribadeneira MD, Vaddi K, Christ DD, Newton RC, Trzaskos JM, Magolda RL, Wexler RR, Decicco CP.: Rational design, synthesis and structure-activity relationships of a cyclic succinate series of TNF-alpha converting enzyme inhibitors. Part 2: lead optimization. Bioorg Med Chem Lett, Volume 13 (24), 2003";ChEMBL
MM475989;MM475989;COc1ccc2cc(S(=O)(=O)NC(Cc3ccc(CN)cc3)C(=O)N(C)C3CCCC3)ccc2c1;BDMUHVMXOXBHES-SANMLTNESA-N;495.65;3.6;10028749;;;CHEMBL424052;CACO;ECACO;25;0;"<a href=https://www.ebi.ac.uk/chembl/assay_report_card/CHEMBL619357/  target=_blank>CHEMBL619357</a>";;;;;;;;;-4.97;;;;;;;;;;;;"Lee K, Jung WH, Park CW, Hong CY, Kim IC, Kim S, Oh YS, Kwon OH, Lee SH, Park HD, Kim SW, Lee YH, Yoo YJ.: Benzylamine-based selective and orally bioavailable inhibitors of thrombin. Bioorg Med Chem Lett, Volume 8 (18), 1998";ChEMBL
MM475990;MM475990;Cc1cc(COc2ccc(C(=O)NC3(CC(=O)NO)CCN(Cc4ccccc4)CC3)cc2)c2ccccc2n1;PACKAWWLZSBYDP-UHFFFAOYSA-N;538.65;4.78;;;;;CACO;ECACO;25;0;"<a href=https://www.ebi.ac.uk/chembl/assay_report_card/CHEMBL853098/  target=_blank>CHEMBL853098</a>";;;;;;;;;-7;;;;;;;;;;;;"Gilmore JL, King BW, Harris C, Maduskuie T, Mercer SE, Liu RQ, Covington MB, Qian M, Ribadeneria MD, Vaddi K, Trzaskos JM, Newton RC, Decicco CP, Duan JJ.: Synthesis and structure-activity relationship of a novel, achiral series of TNF-alpha converting enzyme inhibitors. Bioorg Med Chem Lett, Volume 16 (10), 2006";ChEMBL
MM475991;MM475991;COc1cccc(-n2c(=O)n(Cc3ccccc3OC(F)(F)F)c(=O)n(CC(N)c3ccccc3)c2=O)c1F;LJJACIKIUOHOLD-SFHVURJKSA-N;546.48;2.96;44387961;;;CHEMBL425523;CACO;ECACO;25;0;"<a href=https://www.ebi.ac.uk/chembl/assay_report_card/CHEMBL851904/  target=_blank>CHEMBL851904</a>";;;;;;;;;-5.21;;;;;;;;;;;;"Guo Z, Wu D, Zhu YF, Tucci FC, Regan CF, Rowbottom MW, Struthers RS, Xie Q, Reijmers S, Sullivan SK, Sai Y, Chen C.: Structure-activity relationships of 1,3,5-triazine-2,4,6-triones as human gonadotropin-releasing hormone receptor antagonists. Bioorg Med Chem Lett, Volume 15 (16), 2005";ChEMBL
MM475992;MM475992;Cc1cc(COc2ccc(S(=O)(=O)CC3CNCCC3C(=O)NO)cc2)c2ccccc2n1;YCBSBKZAEBKTSY-UHFFFAOYSA-N;469.56;2.63;18002771;;;CHEMBL426434;CACO;ECACO;25;0;"<a href=https://www.ebi.ac.uk/chembl/assay_report_card/CHEMBL825962/  target=_blank>CHEMBL825962</a>";;;;;;;;;-7;;;;;;;;;;;;"Xue CB, Chen XT, He X, Roderick J, Corbett RL, Ghavimi B, Liu RQ, Covington MB, Qian M, Ribadeneira MD, Vaddi K, Trzaskos J, Newton RC, Duan JJ, Decicco CP.: Synthesis and structure-activity relationship of a novel sulfone series of TNF-alpha converting enzyme inhibitors. Bioorg Med Chem Lett, Volume 14 (17), 2004";ChEMBL
MM475994;MM475994;Nc1noc2ccc(-n3nc(C(F)(F)F)cc3C(=O)Nc3ccc(-n4ccnc4CO)cc3F)cc12;PNIJAJQGAGODFB-UHFFFAOYSA-N;501.4;3.68;11433511;;;CHEMBL426957;CACO;ECACO;25;0;"<a href=https://www.ebi.ac.uk/chembl/assay_report_card/CHEMBL838209/  target=_blank>CHEMBL838209</a>";;;;;;;;;-7;;;;;;;;;;;;"Quan ML, Lam PY, Han Q, Pinto DJ, He MY, Li R, Ellis CD, Clark CG, Teleha CA, Sun JH, Alexander RS, Bai S, Luettgen JM, Knabb RM, Wong PC, Wexler RR.: Discovery of 1-(3'-aminobenzisoxazol-5'-yl)-3-trifluoromethyl-N-[2-fluoro-4- [(2'-dimethylaminomethyl)imidazol-1-yl]phenyl]-1H-pyrazole-5-carboxyamide hydrochloride (razaxaban), a highly potent, selective, and orally bioavailable factor Xa inhibitor. J Med Chem, Volume 48 (6), 2005";ChEMBL
MM475995;MM475995;CCCCOc1ncc(C(C)=O)cc1-c1nc2c(CC)n(C3CCN(CC)CC3)nc2c(=O)[nH]1;NYWJLHDQEMYKGW-UHFFFAOYSA-N;466.59;4.19;135491781;;;CHEMBL427043;CACO;ECACO;25;0;"<a href=https://www.ebi.ac.uk/chembl/assay_report_card/CHEMBL860099/  target=_blank>CHEMBL860099</a>";;;;;;;;;-4.28;;;;;;;;;;;;"Allerton CM, Barber CG, Beaumont KC, Brown DG, Cole SM, Ellis D, Lane CA, Maw GN, Mount NM, Rawson DJ, Robinson CM, Street SD, Summerhill NW.: A novel series of potent and selective PDE5 inhibitors with potential for high and dose-independent oral bioavailability. J Med Chem, Volume 49 (12), 2006";ChEMBL
MM475996;MM475996;O=C(O)c1cc(NC(=S)NCCO)ccc1-c1c2ccc(=O)cc-2oc2cc(O)ccc12;RVDKKVUJQIHRCB-UHFFFAOYSA-N;450.47;3.25;44435659;;;CHEMBL427853;CACO;ECACO;25;0;"<a href=https://www.ebi.ac.uk/chembl/assay_report_card/CHEMBL898000/  target=_blank>CHEMBL898000</a>";;;;;;;;;-6.59;;;;;;;;;;;;"Hayashi Y, Takayama K, Suehisa Y, Fujita T, Nguyen JT, Futaki S, Yamamoto A, Kiso Y.: Development of oligoarginine-drug conjugates linked to new peptidic self-cleavable spacers toward effective intestinal absorption. Bioorg Med Chem Lett, Volume 17 (18), 2007";ChEMBL
MM475997;MM475997;Cc1ccc(N2CCN(C(=O)C(C)Cc3ccc(Cl)cc3)CC2)c(C(NC(=O)CCN(C)C)C(C)C)c1;;527.15;4.94;23635235;;;CHEMBL427860;CACO;ECACO;25;0;"<a href=https://www.ebi.ac.uk/chembl/assay_report_card/CHEMBL963797/  target=_blank>CHEMBL963797</a>";;;;;;;;;-4.39;;;;;;;;;;;;"Chen C, Tucci FC, Jiang W, Tran JA, Fleck BA, Hoare SR, Wen J, Chen T, Johns M, Markison S, Foster AC, Marinkovic D, Chen CW, Arellano M, Harman J, Saunders J, Bozigian H, Marks D.: Pharmacological and pharmacokinetic characterization of 2-piperazine-alpha-isopropyl benzylamine derivatives as melanocortin-4 receptor antagonists. Bioorg Med Chem, Volume 16 (10), 2008";ChEMBL
MM475997;MM475997;Cc1ccc(N2CCN(C(=O)C(C)Cc3ccc(Cl)cc3)CC2)c(C(NC(=O)CCN(C)C)C(C)C)c1;;527.15;4.94;23635235;;;CHEMBL427860;CACO;ECACO;25;0;"<a href=https://www.ebi.ac.uk/chembl/assay_report_card/CHEMBL900805/  target=_blank>CHEMBL900805</a>";;;;;;;;;-5.21;;;;;;;;;;;;"Chen C, Jiang W, Tucci F, Tran JA, Fleck BA, Hoare SR, Joppa M, Markison S, Wen J, Sai Y, Johns M, Madan A, Chen T, Chen CW, Marinkovic D, Arellano M, Saunders J, Foster AC.: Discovery of 1-[2-[(1S)-(3-dimethylaminopropionyl)amino-2-methylpropyl]-4-methylphenyl]-4-[(2R)-methyl-3-(4-chlorophenyl)-propionyl]piperazine as an orally active antagonist of the melanocortin-4 receptor for the potential treatment of cachexia. J Med Chem, Volume 50 (22), 2007";ChEMBL
MM475999;MM475999;CC1NC(=O)C(C)NC(=O)C(C)NC(=O)C(Cc2ccccc2)NCCC(=O)NCCN(C(Cc2ccccc2)C(N)=O)C(=O)CNC1=O;RMZDGJIJNVEICU-SAHMVTQPSA-N;678.79;-1.74;23731076;;;CHEMBL428723;CACO;ECACO;25;0;"<a href=https://www.ebi.ac.uk/chembl/assay_report_card/CHEMBL901110/  target=_blank>CHEMBL901110</a>";;;;;;;;;-5.46;;;;;;;;;;;;"Hess S, Ovadia O, Shalev DE, Senderovich H, Qadri B, Yehezkel T, Salitra Y, Sheynis T, Jelinek R, Gilon C, Hoffman A.: Effect of structural and conformation modifications, including backbone cyclization, of hydrophilic hexapeptides on their intestinal permeability and enzymatic stability. J Med Chem, Volume 50 (24), 2007";ChEMBL
MM476000;MM476000;CS(=O)(=O)c1ccccc1N1CCC(NC(=O)c2cc(C(F)(F)F)nn2-c2ccc3onc(N)c3c2)CC1;HADDJWUKDPCVQU-UHFFFAOYSA-N;548.55;3.42;23648144;;;CHEMBL428749;CACO;ECACO;25;0;"<a href=https://www.ebi.ac.uk/chembl/assay_report_card/CHEMBL885807/  target=_blank>CHEMBL885807</a>";;;;;;;;;-5.77;;;;;;;;;;;;"Qiao JX, Cheng X, Smallheer JM, Galemmo RA, Drummond S, Pinto DJ, Cheney DL, He K, Wong PC, Luettgen JM, Knabb RM, Wexler RR, Lam PY.: Pyrazole-based factor Xa inhibitors containing N-arylpiperidinyl P4 residues. Bioorg Med Chem Lett, Volume 17 (5), 2007";ChEMBL
MM476001;MM476001;CN1CC(=O)NCC(=O)N(C(Cc2ccccc2)C(N)=O)CCNC(=O)CCNC(Cc2ccccc2)C(=O)N(C)CC(=O)N(C)CC1=O;UZIFOEWDSUUZBG-SVBPBHIXSA-N;678.79;-1.88;23731078;;;CHEMBL429263;CACO;ECACO;25;0;"<a href=https://www.ebi.ac.uk/chembl/assay_report_card/CHEMBL901110/  target=_blank>CHEMBL901110</a>";;;;;;;;;-5.53;;;;;;;;;;;;"Hess S, Ovadia O, Shalev DE, Senderovich H, Qadri B, Yehezkel T, Salitra Y, Sheynis T, Jelinek R, Gilon C, Hoffman A.: Effect of structural and conformation modifications, including backbone cyclization, of hydrophilic hexapeptides on their intestinal permeability and enzymatic stability. J Med Chem, Volume 50 (24), 2007";ChEMBL
MM476003;MM476003;Cc1cc(Cc2ccc(C(=O)NC3CN(C)CC3C(=O)NO)cc2)c2ccccc2n1;VKZVNFAGQVZFTI-RBBKRZOGSA-N;418.5;2.3;44431844;;;CHEMBL429444;CACO;ECACO;25;0;"<a href=https://www.ebi.ac.uk/chembl/assay_report_card/CHEMBL897361/  target=_blank>CHEMBL897361</a>";;;;;;;;;-6.52;;;;;;;;;;;;"Chen XT, Ghavimi B, Corbett RL, Xue CB, Liu RQ, Covington MB, Qian M, Vaddi KG, Christ DD, Hartman KD, Ribadeneira MD, Trzaskos JM, Newton RC, Decicco CP, Duan JJ.: A new 4-(2-methylquinolin-4-ylmethyl)phenyl P1' group for the beta-amino hydroxamic acid derived TACE inhibitors. Bioorg Med Chem Lett, Volume 17 (7), 2007";ChEMBL
MM476007;MM476007;O=C1CC(c2ccc(CC(Nc3nc4ccccc4s3)c3nc4ccccc4[nH]3)cc2Cl)S(=O)(=O)N1;RIJYEHWCOFFSIP-AIBWNMTMSA-N;538.05;5.11;23646702;;;CHEMBL430200;CACO;ECACO;25;0;"<a href=https://www.ebi.ac.uk/chembl/assay_report_card/CHEMBL902513/  target=_blank>CHEMBL902513</a>";;;;;;;;;-6.15;;;;;;;;;;;;"Sparks RB, Polam P, Zhu W, Crawley ML, Takvorian A, McLaughlin E, Wei M, Ala PJ, Gonneville L, Taylor N, Li Y, Wynn R, Burn TC, Liu PC, Combs AP.: Benzothiazole benzimidazole (S)-isothiazolidinone derivatives as protein tyrosine phosphatase-1B inhibitors. Bioorg Med Chem Lett, Volume 17 (3), 2007";ChEMBL
MM476008;MM476008;Cc1noc(NS(=O)(=O)c2ccccc2-c2ccc(-c3ncco3)cc2CN(C)CC(F)(F)F)c1C;CLLGOUWASYEJSI-UHFFFAOYSA-N;520.53;5.41;;;;;CACO;ECACO;25;0;"<a href=https://www.ebi.ac.uk/chembl/assay_report_card/CHEMBL638025/  target=_blank>CHEMBL638025</a>";;;;;;;;;-4.96;;;;;;;;;;;;"Murugesan N, Gu Z, Spergel S, Young M, Chen P, Mathur A, Leith L, Hermsmeier M, Liu EC, Zhang R, Bird E, Waldron T, Marino A, Koplowitz B, Humphreys WG, Chong S, Morrison RA, Webb ML, Moreland S, Trippodo N, Barrish JC.: Biphenylsulfonamide endothelin receptor antagonists. 4. Discovery of N-[[2'-[[(4,5-dimethyl-3-isoxazolyl)amino]sulfonyl]-4-(2-oxazolyl)[1,1'-biphenyl]- 2-yl]methyl]-N,3,3-trimethylbutanamide (BMS-207940), a highly potent and orally active ET(A) selective antagonist. J Med Chem, Volume 46 (1), 2003";ChEMBL
MM476009;MM476009;CCC(C)C(NC(=O)C(CC(O)C(CC1CCCCC1)NC(=O)c1ccccn1)C(C)C)C(=O)NCc1ccccn1;UVPQQORJRVVVAL-DXNHQLGUSA-N;579.79;4.42;454913;;;CHEMBL433729;CACO;ECACO;25;0;"<a href=https://www.ebi.ac.uk/chembl/assay_report_card/CHEMBL633586/  target=_blank>CHEMBL633586</a>";;;;;;;;;-4.77;;;;;;;;;;;;10.1016/S0960-894X(00)80673-3;ChEMBL
MM476010;MM476010;Cc1cc(COc2ccc(S(=O)(=O)CC3(CC(=O)NO)CCN(C)C3)cc2)c2ccccc2n1;HUNBFLZYPNPINY-UHFFFAOYSA-N;483.59;3.11;10184537;;;CHEMBL434348;CACO;ECACO;25;0;"<a href=https://www.ebi.ac.uk/chembl/assay_report_card/CHEMBL825963/  target=_blank>CHEMBL825963</a>";;;;;;;;;-6.52;;;;;;;;;;;;"Xue CB, Chen XT, He X, Roderick J, Corbett RL, Ghavimi B, Liu RQ, Covington MB, Qian M, Ribadeneira MD, Vaddi K, Trzaskos J, Newton RC, Duan JJ, Decicco CP.: Synthesis and structure-activity relationship of a novel sulfone series of TNF-alpha converting enzyme inhibitors. Bioorg Med Chem Lett, Volume 14 (17), 2004";ChEMBL
MM476014;MM476014;COC(=O)NC(C(=O)NN(Cc1ccccc1)CC(O)(Cc1ccccc1)C(=O)NC1c2ccccc2CC1O)C(C)(C)C;XSDFQERHLPEHEB-UNMGZEBXSA-N;602.73;3.04;11685820;;;CHEMBL436755;CACO;ECACO;25;0;"<a href=https://www.ebi.ac.uk/chembl/assay_report_card/CHEMBL867573/  target=_blank>CHEMBL867573</a>";;;;;;;;;-4.46;;;;;;;;;;;;"Ekegren JK, Unge T, Safa MZ, Wallberg H, Samuelsson B, Hallberg A.: A new class of HIV-1 protease inhibitors containing a tertiary alcohol in the transition-state mimicking scaffold. J Med Chem, Volume 48 (25), 2005";ChEMBL
MM476015;MM476015;Nc1noc2ccc(-n3nc(C(F)(F)F)cc3C(=O)Nc3ccc(-c4ccccc4CN4CCC(O)C4)cc3F)cc12;HQBRJIGJLJDFHY-LJQANCHMSA-N;580.54;5.24;15950345;;;CHEMBL436766;CACO;ECACO;25;0;"<a href=https://www.ebi.ac.uk/chembl/assay_report_card/CHEMBL859920/  target=_blank>CHEMBL859920</a>";;;;;;;;;-5.43;;;;;;;;;;;;"Quan ML, Han Q, Fevig JM, Lam PY, Bai S, Knabb RM, Luettgen JM, Wong PC, Wexler RR.: Aminobenzisoxazoles with biaryl P4 moieties as potent, selective, and orally bioavailable factor Xa inhibitors. Bioorg Med Chem Lett, Volume 16 (7), 2006";ChEMBL
MM476016;MM476016;CN(C)Cc1ccccc1-c1ccc(N2CCc3c(C(F)(F)F)nn(-c4ccc5onc(N)c5c4)c3C2=O)c(F)c1;DXMUOXUECGPKKS-UHFFFAOYSA-N;564.54;5.69;23646154;;;CHEMBL436791;CACO;ECACO;25;0;"<a href=https://www.ebi.ac.uk/chembl/assay_report_card/CHEMBL868640/  target=_blank>CHEMBL868640</a>";;;;;;;;;-5.05;;;;;;;;;;;;"Pinto DJ, Orwat MJ, Quan ML, Han Q, Galemmo RA, Amparo E, Wells B, Ellis C, He MY, Alexander RS, Rossi KA, Smallwood A, Wong PC, Luettgen JM, Rendina AR, Knabb RM, Mersinger L, Kettner C, Bai S, He K, Wexler RR, Lam PY.: 1-[3-Aminobenzisoxazol-5'-yl]-3-trifluoromethyl-6-[2'-(3-(R)-hydroxy-N-pyrrolidinyl)methyl-[1,1']-biphen-4-yl]-1,4,5,6-tetrahydropyrazolo-[3,4-c]-pyridin-7-one (BMS-740808) a highly potent, selective, efficacious, and orally bioavailable inhibitor of blood coagulation factor Xa. Bioorg Med Chem Lett, Volume 16 (15), 2006";ChEMBL
MM476017;MM476017;Cc1nc2cc(C(C)C)c(-c3ccc(Cl)c(OCC4CC4)c3)cc2c(=O)[nH]1;JERXWDBVRYWKDD-UHFFFAOYSA-N;382.89;5.46;135444669;;;CHEMBL436839;CACO;ECACO;25;0;"<a href=https://www.ebi.ac.uk/chembl/assay_report_card/CHEMBL861748/  target=_blank>CHEMBL861748</a>";;;;;;;;;-5.36;;;;;;;;;;;;"Culshaw AJ, Bevan S, Christiansen M, Copp P, Davis A, Davis C, Dyson A, Dziadulewicz EK, Edwards L, Eggelte H, Fox A, Gentry C, Groarke A, Hallett A, Hart TW, Hughes GA, Knights S, Kotsonis P, Lee W, Lyothier I, McBryde A, McIntyre P, Paloumbis G, Panesar M, Patel S, Seiler MP, Yaqoob M, Zimmermann K.: Identification and biological characterization of 6-aryl-7-isopropylquinazolinones as novel TRPV1 antagonists that are effective in models of chronic pain. J Med Chem, Volume 49 (2), 2006";ChEMBL
MM476018;MM476018;COc1cccc2sc(NC(Cc3ccc(C4CC(=O)NS4(=O)=O)cc3)c3nc4ccccc4[nH]3)nc12;YXMIQQYKUVRJOM-YDNXMHBPSA-N;533.64;4.47;23646693;;;CHEMBL437371;CACO;ECACO;25;0;"<a href=https://www.ebi.ac.uk/chembl/assay_report_card/CHEMBL902513/  target=_blank>CHEMBL902513</a>";;;;;;;;;-6;;;;;;;;;;;;"Sparks RB, Polam P, Zhu W, Crawley ML, Takvorian A, McLaughlin E, Wei M, Ala PJ, Gonneville L, Taylor N, Li Y, Wynn R, Burn TC, Liu PC, Combs AP.: Benzothiazole benzimidazole (S)-isothiazolidinone derivatives as protein tyrosine phosphatase-1B inhibitors. Bioorg Med Chem Lett, Volume 17 (3), 2007";ChEMBL
MM476021;MM476021;CCOC(=O)N1CC(NC(=O)c2ccc(-n3ccccc3=O)cc2)C(NC(=O)c2ccc(Cl)s2)C1;VCOPBIUVMSEQNG-ZWKOTPCHSA-N;514.99;2.92;24180463;;;CHEMBL437555;CACO;ECACO;25;0;"<a href=https://www.ebi.ac.uk/chembl/assay_report_card/CHEMBL897896/  target=_blank>CHEMBL897896</a>";;;;;;;;;-5.6;;;;;;;;;;;;"Qiao JX, Wang TC, Wang GZ, Cheney DL, He K, Rendina AR, Xin B, Luettgen JM, Knabb RM, Wexler RR, Lam PY.: Enantiopure five-membered cyclicdiamine derivatives as potent and selective inhibitors of factor Xa. Improving in vitro metabolic stability via core modifications. Bioorg Med Chem Lett, Volume 17 (18), 2007";ChEMBL
MM476025;MM476025;NCC(=O)NC(Cc1c[nH]c2ccccc12)C(=O)NC(CCCN=C(N)N)C(=O)NC(Cc1ccccc1)C(=O)NC(Cc1ccccc1)C(=O)O;GKZKTNFBMYFGNV-JVVMDBNWSA-N;711.82;0.44;44456913;;;CHEMBL438200;CACO;ECACO;25;0;"<a href=https://www.ebi.ac.uk/chembl/assay_report_card/CHEMBL932308/  target=_blank>CHEMBL932308</a>";;;;;;;;;-4.92;;;;;;;;;;;;"Hess S, Linde Y, Ovadia O, Safrai E, Shalev DE, Swed A, Halbfinger E, Lapidot T, Winkler I, Gabinet Y, Faier A, Yarden D, Xiang Z, Portillo FP, Haskell-Luevano C, Gilon C, Hoffman A.: Backbone cyclic peptidomimetic melanocortin-4 receptor agonist as a novel orally administrated drug lead for treating obesity. J Med Chem, Volume 51 (4), 2008";ChEMBL
MM476029;MM476029;COc1ccc(-n2nc(Cn3ccnn3)c3c2C(=O)N(c2ccc(-c4ccccc4CN4CCC(O)C4)cc2)CC3)cc1;WEKJJVKHRKQPFJ-HHHXNRCGSA-N;575.67;3.96;23635626;;;CHEMBL439214;CACO;ECACO;25;0;"<a href=https://www.ebi.ac.uk/chembl/assay_report_card/CHEMBL900671/  target=_blank>CHEMBL900671</a>";;;;;;;;;-5.8;;;;;;;;;;;;"Pinto DJ, Orwat MJ, Koch S, Rossi KA, Alexander RS, Smallwood A, Wong PC, Rendina AR, Luettgen JM, Knabb RM, He K, Xin B, Wexler RR, Lam PY.: Discovery of 1-(4-methoxyphenyl)-7-oxo-6-(4-(2-oxopiperidin-1-yl)phenyl)-4,5,6,7-tetrahydro-1H-pyrazolo[3,4-c]pyridine-3-carboxamide (apixaban, BMS-562247), a highly potent, selective, efficacious, and orally bioavailable inhibitor of blood coagulation factor Xa. J Med Chem, Volume 50 (22), 2007";ChEMBL
MM476030;MM476030;N=C(N)NCCCC(NC(=O)C(CCCNC(=N)N)NC(=O)C(CCCNC(=N)N)NC(=O)C(CCCNC(=N)N)NC(=O)C(CCCNC(=N)N)NC(=O)C(CCCNC(=N)N)NC(=O)C(CCCNC(=N)N)NC(=O)CCCNC(=O)C(CN)NC(=O)CCC(=O)OCCNC(=S)Nc1ccc(-c2c3ccc(=O)cc-3oc3cc(O)ccc23)c(C(=O)O)c1)C(N)=O;OKJGBFTXAOAXBF-ANMYAQNASA-N;1814.08;-7.36;44435645;;;CHEMBL439217;CACO;ECACO;25;0;"<a href=https://www.ebi.ac.uk/chembl/assay_report_card/CHEMBL898000/  target=_blank>CHEMBL898000</a>";;;;;;;;;-6.12;;;;;;;;;;;;"Hayashi Y, Takayama K, Suehisa Y, Fujita T, Nguyen JT, Futaki S, Yamamoto A, Kiso Y.: Development of oligoarginine-drug conjugates linked to new peptidic self-cleavable spacers toward effective intestinal absorption. Bioorg Med Chem Lett, Volume 17 (18), 2007";ChEMBL
MM476032;MM476032;O=C(O)c1ccc(Cn2cnc3ccccc32)cc1;KLIANJXCGMBICV-UHFFFAOYSA-N;252.27;2.78;2735444;;;CHEMBL439834;CACO;ECACO;25;0;"<a href=https://www.ebi.ac.uk/chembl/assay_report_card/CHEMBL619363/  target=_blank>CHEMBL619363</a>";;;;;;;;;-5.5;;;;;;;;;;;;"Fichert T, Yazdanian M, Proudfoot JR.: A structure-permeability study of small drug-like molecules. Bioorg Med Chem Lett, Volume 13 (4), 2003";ChEMBL
MM476035;MM476035;CN(C)Cc1nccn1-c1ccc(CC(=O)c2cc(C(F)(F)F)nn2-c2ccc3onc(N)c3c2)cc1;VQBNZDYHKWNFIA-UHFFFAOYSA-N;509.49;4.29;44446642;;;CHEMBL442292;CACO;ECACO;25;0;"<a href=https://www.ebi.ac.uk/chembl/assay_report_card/CHEMBL927724/  target=_blank>CHEMBL927724</a>";;;;;;;;;-4.62;;;;;;;;;;;;"Varnes JG, Wacker DA, Pinto DJ, Orwat MJ, Theroff JP, Wells B, Galemo RA, Luettgen JM, Knabb RM, Bai S, He K, Lam PY, Wexler RR.: Structure-activity relationship and pharmacokinetic profile of 5-ketopyrazole factor Xa inhibitors. Bioorg Med Chem Lett, Volume 18 (2), 2008";ChEMBL
MM476038;MM476038;COc1ccc(-n2nc(C(N)=O)c3c2C(=O)N(c2ccc(-c4ccccc4CN4CCCC4)cc2)CC3)cc1;AZWOHKZXJMIDFB-UHFFFAOYSA-N;521.62;4.45;;;;;CACO;ECACO;25;0;"<a href=https://www.ebi.ac.uk/chembl/assay_report_card/CHEMBL900671/  target=_blank>CHEMBL900671</a>";;;;;;;;;-5.46;;;;;;;;;;;;"Pinto DJ, Orwat MJ, Koch S, Rossi KA, Alexander RS, Smallwood A, Wong PC, Rendina AR, Luettgen JM, Knabb RM, He K, Xin B, Wexler RR, Lam PY.: Discovery of 1-(4-methoxyphenyl)-7-oxo-6-(4-(2-oxopiperidin-1-yl)phenyl)-4,5,6,7-tetrahydro-1H-pyrazolo[3,4-c]pyridine-3-carboxamide (apixaban, BMS-562247), a highly potent, selective, efficacious, and orally bioavailable inhibitor of blood coagulation factor Xa. J Med Chem, Volume 50 (22), 2007";ChEMBL
MM476043;MM476043;CC(O)c1ncc(C(O)C(O)C(O)CO)[nH]1;LJCNCJMBPIMJMH-NPPIPOFDSA-N;232.24;-1.79;44185979;;;CHEMBL444684;CACO;ECACO;25;0;"<a href=https://www.ebi.ac.uk/chembl/assay_report_card/CHEMBL952663/  target=_blank>CHEMBL952663</a>";;;;;;;;;-5.39;;;;;;;;;;;;"Bagdanoff JT, Donoviel MS, Nouraldeen A, Tarver J, Fu Q, Carlsen M, Jessop TC, Zhang H, Hazelwood J, Nguyen H, Baugh SD, Gardyan M, Terranova KM, Barbosa J, Yan J, Bednarz M, Layek S, Courtney LF, Taylor J, Digeorge-Foushee AM, Gopinathan S, Bruce D, Smith T, Moran L, O'Neill E, Kramer J, Lai Z, Kimball SD, Liu Q, Sun W, Yu S, Swaffield J, Wilson A, Main A, Carson KG, Oravecz T, Augeri DJ.: Inhibition of sphingosine-1-phosphate lyase for the treatment of autoimmune disorders. J Med Chem, Volume 52 (13), 2009";ChEMBL
MM476045;MM476045;Cc1nccn1-c1ccc(NC(=O)c2cc(C(F)(F)F)nn2-c2ccc3onc(N)c3c2)cc1;PYSZDOCTWCNJRK-UHFFFAOYSA-N;467.41;4.36;10183471;;;CHEMBL445391;CACO;ECACO;25;0;"<a href=https://www.ebi.ac.uk/chembl/assay_report_card/CHEMBL838209/  target=_blank>CHEMBL838209</a>";;;;;;;;;-6.09;;;;;;;;;;;;"Quan ML, Lam PY, Han Q, Pinto DJ, He MY, Li R, Ellis CD, Clark CG, Teleha CA, Sun JH, Alexander RS, Bai S, Luettgen JM, Knabb RM, Wong PC, Wexler RR.: Discovery of 1-(3'-aminobenzisoxazol-5'-yl)-3-trifluoromethyl-N-[2-fluoro-4- [(2'-dimethylaminomethyl)imidazol-1-yl]phenyl]-1H-pyrazole-5-carboxyamide hydrochloride (razaxaban), a highly potent, selective, and orally bioavailable factor Xa inhibitor. J Med Chem, Volume 48 (6), 2005";ChEMBL
MM476048;MM476048;CC(=O)c1nc(C(O)C(O)C(O)CO)c(C)[nH]1;IIJRMVGGYOQAMM-FTLITQJKSA-N;244.25;-1.33;24753967;;;CHEMBL446257;CACO;ECACO;25;0;"<a href=https://www.ebi.ac.uk/chembl/assay_report_card/CHEMBL952663/  target=_blank>CHEMBL952663</a>";;;;;;;;;-5.03;;;;;;;;;;;;"Bagdanoff JT, Donoviel MS, Nouraldeen A, Tarver J, Fu Q, Carlsen M, Jessop TC, Zhang H, Hazelwood J, Nguyen H, Baugh SD, Gardyan M, Terranova KM, Barbosa J, Yan J, Bednarz M, Layek S, Courtney LF, Taylor J, Digeorge-Foushee AM, Gopinathan S, Bruce D, Smith T, Moran L, O'Neill E, Kramer J, Lai Z, Kimball SD, Liu Q, Sun W, Yu S, Swaffield J, Wilson A, Main A, Carson KG, Oravecz T, Augeri DJ.: Inhibition of sphingosine-1-phosphate lyase for the treatment of autoimmune disorders. J Med Chem, Volume 52 (13), 2009";ChEMBL
MM476051;MM476051;CC(C)n1c(=O)n(Cc2nc3ccccc3n2CCCC#N)c2cnccc21;HNUBQVDSGLPJTB-UHFFFAOYSA-N;374.45;3.48;18334739;;;CHEMBL446708;CACO;ECACO;25;0;"<a href=https://www.ebi.ac.uk/chembl/assay_report_card/CHEMBL891578/  target=_blank>CHEMBL891578</a>";;;;;;;;;-4.77;;;;;;;;;;;;"Yu KL, Sin N, Civiello RL, Wang XA, Combrink KD, Gulgeze HB, Venables BL, Wright JJ, Dalterio RA, Zadjura L, Marino A, Dando S, D'Arienzo C, Kadow KF, Cianci CW, Li Z, Clarke J, Genovesi EV, Medina I, Lamb L, Colonno RJ, Yang Z, Krystal M, Meanwell NA.: Respiratory syncytial virus fusion inhibitors. Part 4: optimization for oral bioavailability. Bioorg Med Chem Lett, Volume 17 (4), 2007";ChEMBL
MM476054;MM476054;Cc1cc(Cn2nnc3c(-c4ccco4)nc(N)nc32)ccc1N;HQSBCDPYXDGTCL-UHFFFAOYSA-N;321.34;2;21874557;;;CHEMBL447664;CACO;ECACO;25;0;"<a href=https://www.ebi.ac.uk/chembl/assay_report_card/CHEMBL1022274/  target=_blank>CHEMBL1022274</a>";;;;;;;;;-4.96;;;;;;;;;;;;"Gillespie RJ, Bamford SJ, Botting R, Comer M, Denny S, Gaur S, Griffin M, Jordan AM, Knight AR, Lerpiniere J, Leonardi S, Lightowler S, McAteer S, Merrett A, Misra A, Padfield A, Reece M, Saadi M, Selwood DL, Stratton GC, Surry D, Todd R, Tong X, Ruston V, Upton R, Weiss SM.: Antagonists of the human A(2A) adenosine receptor. 4. Design, synthesis, and preclinical evaluation of 7-aryltriazolo[4,5-d]pyrimidines. J Med Chem, Volume 52 (1), 2009";ChEMBL
MM476059;MM476059;CC(=O)c1nc([C@H](O)[C@@H](O)[C@@H](O)CO)c[nH]1;CQSIXFHVGKMLGQ-FXQIFTODSA-N;230.22;-1.64;;;;;CACO;ECACO;25;0;"<a href=https://www.ebi.ac.uk/chembl/assay_report_card/CHEMBL952663/  target=_blank>CHEMBL952663</a>";;;;;;;;;-4.88;;;;;;;;;;;;"Bagdanoff JT, Donoviel MS, Nouraldeen A, Tarver J, Fu Q, Carlsen M, Jessop TC, Zhang H, Hazelwood J, Nguyen H, Baugh SD, Gardyan M, Terranova KM, Barbosa J, Yan J, Bednarz M, Layek S, Courtney LF, Taylor J, Digeorge-Foushee AM, Gopinathan S, Bruce D, Smith T, Moran L, O'Neill E, Kramer J, Lai Z, Kimball SD, Liu Q, Sun W, Yu S, Swaffield J, Wilson A, Main A, Carson KG, Oravecz T, Augeri DJ.: Inhibition of sphingosine-1-phosphate lyase for the treatment of autoimmune disorders. J Med Chem, Volume 52 (13), 2009";ChEMBL
MM476061;MM476061;CCc1[nH]c(C(C)=O)nc1C(O)C(O)C(O)CO;JSSFRSCXEWEKBV-SZEHBUNVSA-N;258.27;-1.08;44185925;;;CHEMBL451653;CACO;ECACO;25;0;"<a href=https://www.ebi.ac.uk/chembl/assay_report_card/CHEMBL952663/  target=_blank>CHEMBL952663</a>";;;;;;;;;-5.1;;;;;;;;;;;;"Bagdanoff JT, Donoviel MS, Nouraldeen A, Tarver J, Fu Q, Carlsen M, Jessop TC, Zhang H, Hazelwood J, Nguyen H, Baugh SD, Gardyan M, Terranova KM, Barbosa J, Yan J, Bednarz M, Layek S, Courtney LF, Taylor J, Digeorge-Foushee AM, Gopinathan S, Bruce D, Smith T, Moran L, O'Neill E, Kramer J, Lai Z, Kimball SD, Liu Q, Sun W, Yu S, Swaffield J, Wilson A, Main A, Carson KG, Oravecz T, Augeri DJ.: Inhibition of sphingosine-1-phosphate lyase for the treatment of autoimmune disorders. J Med Chem, Volume 52 (13), 2009";ChEMBL
MM476064;MM476064;CCCC1C(=O)N(C(Cc2ccc3ccccc3c2)C(=O)NC)CCN1C(=O)C(Cc1ccc(F)cc1)NC(=O)C(C)(C)N;;603.74;2.94;25129107;;;CHEMBL453734;CACO;ECACO;25;0;"<a href=https://www.ebi.ac.uk/chembl/assay_report_card/CHEMBL1027425/  target=_blank>CHEMBL1027425</a>";;;;;;;;;-5.82;;;;;;;;;;;;"Tian X, Switzer AG, Derose SA, Mishra RK, Solinsky MG, Mumin RN, Ebetino FH, Jayasinghe LR, Webster ME, Colson AO, Crossdoersen D, Pinney BB, Farmer JA, Dowty ME, Obringer CM, Cruze CA, Burklow ML, Suchanek PM, Dong L, Dirr MK, Sheldon RJ, Wos JA.: Discovery of orally bioavailable 1,3,4-trisubstituted 2-oxopiperazine-based melanocortin-4 receptor agonists as potential antiobesity agents. J Med Chem, Volume 51 (19), 2008";ChEMBL
MM476064;MM476064;CCCC1C(=O)N(C(Cc2ccc3ccccc3c2)C(=O)NC)CCN1C(=O)C(Cc1ccc(F)cc1)NC(=O)C(C)(C)N;;603.74;2.94;25129107;;;CHEMBL453734;CACO;ECACO;25;0;"<a href=https://www.ebi.ac.uk/chembl/assay_report_card/CHEMBL1027426/  target=_blank>CHEMBL1027426</a>";;;;;;;;;-4.84;;;;;;;;;;;;"Tian X, Switzer AG, Derose SA, Mishra RK, Solinsky MG, Mumin RN, Ebetino FH, Jayasinghe LR, Webster ME, Colson AO, Crossdoersen D, Pinney BB, Farmer JA, Dowty ME, Obringer CM, Cruze CA, Burklow ML, Suchanek PM, Dong L, Dirr MK, Sheldon RJ, Wos JA.: Discovery of orally bioavailable 1,3,4-trisubstituted 2-oxopiperazine-based melanocortin-4 receptor agonists as potential antiobesity agents. J Med Chem, Volume 51 (19), 2008";ChEMBL
MM476066;MM476066;"C=CC1=C(C)/C(=C/C2=N/C(=C\c3[nH]c(/C=C4\NC(=O)C(C)=C4C=C)c(C)c3CCC(=O)O)C(CCC(=O)O)=C2C)NC1=O";QBUVFDKTZJNUPP-BBROENKCSA-N;582.66;4.81;;;;;CACO;ECACO;25;0;"<a href=https://www.ebi.ac.uk/chembl/assay_report_card/CHEMBL975052/  target=_blank>CHEMBL975052</a>";;;;;;;;;-6;;;;;;;;;;;;"Bulmer AC, Blanchfield JT, Coombes JS, Toth I.: In vitro permeability and metabolic stability of bile pigments and the effects of hydrophilic and lipophilic modification of biliverdin. Bioorg Med Chem, Volume 16 (7), 2008";ChEMBL
MM476066;MM476066;"C=CC1=C(C)/C(=C/C2=N/C(=C\c3[nH]c(/C=C4\NC(=O)C(C)=C4C=C)c(C)c3CCC(=O)O)C(CCC(=O)O)=C2C)NC1=O";QBUVFDKTZJNUPP-BBROENKCSA-N;582.66;4.81;;;;;CACO;ECACO;25;0;"<a href=https://www.ebi.ac.uk/chembl/assay_report_card/CHEMBL975053/  target=_blank>CHEMBL975053</a>";;;;;;;;;-5.43;;;;;;;;;;;;"Bulmer AC, Blanchfield JT, Coombes JS, Toth I.: In vitro permeability and metabolic stability of bile pigments and the effects of hydrophilic and lipophilic modification of biliverdin. Bioorg Med Chem, Volume 16 (7), 2008";ChEMBL
MM476072;MM476072;Oc1ccc(-c2ccc(-c3cccc(O)c3)s2)cc1;PKHBRBMFZXTMIS-UHFFFAOYSA-N;268.34;4.49;25093386;;;CHEMBL457323;CACO;ECACO;25;0;"<a href=https://www.ebi.ac.uk/chembl/assay_report_card/CHEMBL1032443/  target=_blank>CHEMBL1032443</a>";;;;;;;;;-4.66;;;;;;;;;;;;"Bey E, Marchais-Oberwinkler S, Werth R, Negri M, Al-Soud YA, Kruchten P, Oster A, Frotscher M, Birk B, Hartmann RW.: Design, synthesis, biological evaluation and pharmacokinetics of bis(hydroxyphenyl) substituted azoles, thiophenes, benzenes, and aza-benzenes as potent and selective nonsteroidal inhibitors of 17beta-hydroxysteroid dehydrogenase type 1 (17beta-HSD1). J Med Chem, Volume 51 (21), 2008";ChEMBL
MM476073;MM476073;COCC1CCCN1c1cc(NC(C)=O)nc(-n2nc(C)cc2C)n1;FGADYIBOWLXZLA-CQSZACIVSA-N;344.42;1.85;24812771;;;CHEMBL458224;CACO;ECACO;25;0;"<a href=https://www.ebi.ac.uk/chembl/assay_report_card/CHEMBL987761/  target=_blank>CHEMBL987761</a>";;;;;;;;;-4.15;;;;;;;;;;;;"Lanier MC, Moorjani M, Luo Z, Chen Y, Lin E, Tellew JE, Zhang X, Williams JP, Gross RS, Lechner SM, Markison S, Joswig T, Kargo W, Piercey J, Santos M, Malany S, Zhao M, Petroski R, Crespo MI, Díaz JL, Saunders J, Wen J, O'Brien Z, Jalali K, Madan A, Slee DH.: N-[6-amino-2-(heteroaryl)pyrimidin-4-yl]acetamides as A2A receptor antagonists with improved drug like properties and in vivo efficacy. J Med Chem, Volume 52 (3), 2009";ChEMBL
MM476074;MM476074;CCCCC(COC(=O)C(C)(C)C)NP(=O)(OCC1OC(n2ccc(N)nc2=O)C(C)(O)C1O)Oc1ccccc1;QEDHMQRMCWZHDI-DDBBNYBPSA-N;596.62;2.78;44564764;;;CHEMBL458518;CACO;ECACO;25;0;"<a href=https://www.ebi.ac.uk/chembl/assay_report_card/CHEMBL1021283/  target=_blank>CHEMBL1021283</a>";;;;;;;;;-5.85;;;;;;;;;;;;"Donghi M, Attenni B, Gardelli C, Marco AD, Fiore F, Giuliano C, Laufer R, Leone JF, Pucci V, Rowley M, Narjes F.: Synthesis and evaluation of novel phosphoramidate prodrugs of 2'-methyl cytidine as inhibitors of hepatitis C virus NS5B polymerase. Bioorg Med Chem Lett, Volume 19 (5), 2009";ChEMBL
MM476075;MM476075;Oc1ccc(-c2cnc(-c3cccc(O)c3)s2)cc1;WBUPCNHALRFMCB-UHFFFAOYSA-N;269.33;3.89;25093373;;;CHEMBL458727;CACO;ECACO;25;0;"<a href=https://www.ebi.ac.uk/chembl/assay_report_card/CHEMBL1032443/  target=_blank>CHEMBL1032443</a>";;;;;;;;;-5.11;;;;;;;;;;;;"Bey E, Marchais-Oberwinkler S, Werth R, Negri M, Al-Soud YA, Kruchten P, Oster A, Frotscher M, Birk B, Hartmann RW.: Design, synthesis, biological evaluation and pharmacokinetics of bis(hydroxyphenyl) substituted azoles, thiophenes, benzenes, and aza-benzenes as potent and selective nonsteroidal inhibitors of 17beta-hydroxysteroid dehydrogenase type 1 (17beta-HSD1). J Med Chem, Volume 51 (21), 2008";ChEMBL
MM476076;MM476076;COc1cc(Nc2nc(NC3CCCCC3N)n3cc(-c4ccccc4)nc3c2C(N)=O)cc(OC)c1;UCDYGVBDFHZXEE-RTWAWAEBSA-N;501.59;3.94;10028975;;;CHEMBL459147;CACO;ECACO;25;0;"<a href=https://www.ebi.ac.uk/chembl/assay_report_card/CHEMBL992586/  target=_blank>CHEMBL992586</a>";;;;;;;;;-6.37;;;;;;;;;;;;"Hirabayashi A, Mukaiyama H, Kobayashi H, Shiohara H, Nakayama S, Ozawa M, Tsuji E, Miyazawa K, Misawa K, Ohnota H, Isaji M.: Structure-activity relationship studies of imidazo[1,2-c]pyrimidine derivatives as potent and orally effective Syk family kinases inhibitors. Bioorg Med Chem, Volume 16 (20), 2008";ChEMBL
MM476077;MM476077;Cc1cc(C2CCN(CCCF)CC2)cc2[nH]c(-c3c(NCCn4cc(Cl)cn4)cc[nH]c3=O)nc12;VWELCPLMPPEKOL-UHFFFAOYSA-N;512.03;4.73;135441202;;;CHEMBL459729;CACO;ECACO;25;0;"<a href=https://www.ebi.ac.uk/chembl/assay_report_card/CHEMBL980918/  target=_blank>CHEMBL980918</a>";;;;;;;;;-4.96;;;;;;;;;;;;"Velaparthi U, Wittman M, Liu P, Carboni JM, Lee FY, Attar R, Balimane P, Clarke W, Sinz MW, Hurlburt W, Patel K, Discenza L, Kim S, Gottardis M, Greer A, Li A, Saulnier M, Yang Z, Zimmermann K, Trainor G, Vyas D.: Discovery and evaluation of 4-(2-(4-chloro-1H-pyrazol-1-yl)ethylamino)-3-(6-(1-(3-fluoropropyl)piperidin-4-yl)-4-methyl-1H-benzo[d]imidazol-2-yl)pyridin-2(1H)-one (BMS-695735), an orally efficacious inhibitor of insulin-like growth factor-1 receptor kinase with broad spectrum in vivo antitumor activity. J Med Chem, Volume 51 (19), 2008";ChEMBL
MM476084;MM476084;COc1ccc(-n2nc(C(F)(F)F)c3c2C(=O)N(c2ccc(C4(CN(C)C)CC4)cc2)CC3)cc1;;484.52;4.7;10345230;;;CHEMBL461297;CACO;ECACO;25;0;"<a href=https://www.ebi.ac.uk/chembl/assay_report_card/CHEMBL946434/  target=_blank>CHEMBL946434</a>";;;;;;;;;-5.07;;;;;;;;;;;;"Qiao JX, Cheney DL, Alexander RS, Smallwood AM, King SR, He K, Rendina AR, Luettgen JM, Knabb RM, Wexler RR, Lam PY.: Achieving structural diversity using the perpendicular conformation of alpha-substituted phenylcyclopropanes to mimic the bioactive conformation of ortho-substituted biphenyl P4 moieties: discovery of novel, highly potent inhibitors of Factor Xa. Bioorg Med Chem Lett, Volume 18 (14), 2008";ChEMBL
MM476086;MM476086;C=CCC1C(=O)N(C(Cc2ccc3ccccc3c2)C(=O)NC)CCN1C(=O)C(N)Cc1ccc(F)cc1;;516.62;2.82;9849434;;;CHEMBL462044;CACO;ECACO;25;0;"<a href=https://www.ebi.ac.uk/chembl/assay_report_card/CHEMBL1027425/  target=_blank>CHEMBL1027425</a>";;;;;;;;;-5.19;;;;;;;;;;;;"Tian X, Switzer AG, Derose SA, Mishra RK, Solinsky MG, Mumin RN, Ebetino FH, Jayasinghe LR, Webster ME, Colson AO, Crossdoersen D, Pinney BB, Farmer JA, Dowty ME, Obringer CM, Cruze CA, Burklow ML, Suchanek PM, Dong L, Dirr MK, Sheldon RJ, Wos JA.: Discovery of orally bioavailable 1,3,4-trisubstituted 2-oxopiperazine-based melanocortin-4 receptor agonists as potential antiobesity agents. J Med Chem, Volume 51 (19), 2008";ChEMBL
MM476086;MM476086;C=CCC1C(=O)N(C(Cc2ccc3ccccc3c2)C(=O)NC)CCN1C(=O)C(N)Cc1ccc(F)cc1;;516.62;2.82;9849434;;;CHEMBL462044;CACO;ECACO;25;0;"<a href=https://www.ebi.ac.uk/chembl/assay_report_card/CHEMBL1027426/  target=_blank>CHEMBL1027426</a>";;;;;;;;;-4.82;;;;;;;;;;;;"Tian X, Switzer AG, Derose SA, Mishra RK, Solinsky MG, Mumin RN, Ebetino FH, Jayasinghe LR, Webster ME, Colson AO, Crossdoersen D, Pinney BB, Farmer JA, Dowty ME, Obringer CM, Cruze CA, Burklow ML, Suchanek PM, Dong L, Dirr MK, Sheldon RJ, Wos JA.: Discovery of orally bioavailable 1,3,4-trisubstituted 2-oxopiperazine-based melanocortin-4 receptor agonists as potential antiobesity agents. J Med Chem, Volume 51 (19), 2008";ChEMBL
MM476087;MM476087;Oc1ccc(-c2cc(-c3cccc(O)c3)cs2)cc1;JECPEAXUEYTRPA-UHFFFAOYSA-N;268.34;4.49;25093389;;;CHEMBL462513;CACO;ECACO;25;0;"<a href=https://www.ebi.ac.uk/chembl/assay_report_card/CHEMBL1032443/  target=_blank>CHEMBL1032443</a>";;;;;;;;;-4.84;;;;;;;;;;;;"Bey E, Marchais-Oberwinkler S, Werth R, Negri M, Al-Soud YA, Kruchten P, Oster A, Frotscher M, Birk B, Hartmann RW.: Design, synthesis, biological evaluation and pharmacokinetics of bis(hydroxyphenyl) substituted azoles, thiophenes, benzenes, and aza-benzenes as potent and selective nonsteroidal inhibitors of 17beta-hydroxysteroid dehydrogenase type 1 (17beta-HSD1). J Med Chem, Volume 51 (21), 2008";ChEMBL
MM476088;MM476088;O=C(Nc1nc(-c2cccc(C(F)(F)F)c2F)cs1)c1ccc(N2CCC(C(=O)O)C2)nc1;QHDHUEIPKWBLKG-UHFFFAOYSA-N;480.44;4.53;15950335;;;CHEMBL465957;CACO;ECACO;25;0;"<a href=https://www.ebi.ac.uk/chembl/assay_report_card/CHEMBL959265/  target=_blank>CHEMBL959265</a>";;;;;;;;;-5.35;;;;;;;;;;;;"Munchhof MJ, Antipas AS, Blumberg LC, Brissette WH, Brown MF, Casavant JM, Doty JL, Driscoll J, Harris TM, Wolf-Gouveia LA, Jones CS, Li Q, Linde RG, Lira PD, Marfat A, McElroy E, Mitton-Fry M, McCurdy SP, Reiter LA, Ripp SL, Shavnya A, Thomasco LM, Trevena KA.: The identification of orally bioavailable thrombopoietin agonists. Bioorg Med Chem Lett, Volume 19 (5), 2009";ChEMBL
MM476094;MM476094;COc1cc(Cl)ccc1CC(C)C(=O)N1CCN(c2ccc(Cl)cc2C(NC(=O)C(C)N)C(C)C)CC1;BGNHNMCZDLGXJG-UDCNLSRBSA-N;549.54;4.69;44577093;;;CHEMBL467587;CACO;ECACO;25;0;"<a href=https://www.ebi.ac.uk/chembl/assay_report_card/CHEMBL963797/  target=_blank>CHEMBL963797</a>";;;;;;;;;-5.52;;;;;;;;;;;;"Chen C, Tucci FC, Jiang W, Tran JA, Fleck BA, Hoare SR, Wen J, Chen T, Johns M, Markison S, Foster AC, Marinkovic D, Chen CW, Arellano M, Harman J, Saunders J, Bozigian H, Marks D.: Pharmacological and pharmacokinetic characterization of 2-piperazine-alpha-isopropyl benzylamine derivatives as melanocortin-4 receptor antagonists. Bioorg Med Chem, Volume 16 (10), 2008";ChEMBL
MM476095;MM476095;CC(Cc1ccc(Cl)cc1)C(=O)N1CCN(c2ccc(Cl)cc2C(NC(=O)CCN(C)C)C(C)C)CC1;FISNMOAZOFAUNZ-PIKZIKFNSA-N;547.57;5.29;44577094;;;CHEMBL467588;CACO;ECACO;25;0;"<a href=https://www.ebi.ac.uk/chembl/assay_report_card/CHEMBL963797/  target=_blank>CHEMBL963797</a>";;;;;;;;;-5.05;;;;;;;;;;;;"Chen C, Tucci FC, Jiang W, Tran JA, Fleck BA, Hoare SR, Wen J, Chen T, Johns M, Markison S, Foster AC, Marinkovic D, Chen CW, Arellano M, Harman J, Saunders J, Bozigian H, Marks D.: Pharmacological and pharmacokinetic characterization of 2-piperazine-alpha-isopropyl benzylamine derivatives as melanocortin-4 receptor antagonists. Bioorg Med Chem, Volume 16 (10), 2008";ChEMBL
MM476096;MM476096;CNCC(=O)NC(c1cccc(F)c1N1CCN(C(=O)C(C)Cc2ccc(Cl)cc2)CC1)C(C)C;DJUMIBAWSMGVLY-CLOONOSVSA-N;503.06;4.04;44577090;;;CHEMBL467771;CACO;ECACO;25;0;"<a href=https://www.ebi.ac.uk/chembl/assay_report_card/CHEMBL963797/  target=_blank>CHEMBL963797</a>";;;;;;;;;-6;;;;;;;;;;;;"Chen C, Tucci FC, Jiang W, Tran JA, Fleck BA, Hoare SR, Wen J, Chen T, Johns M, Markison S, Foster AC, Marinkovic D, Chen CW, Arellano M, Harman J, Saunders J, Bozigian H, Marks D.: Pharmacological and pharmacokinetic characterization of 2-piperazine-alpha-isopropyl benzylamine derivatives as melanocortin-4 receptor antagonists. Bioorg Med Chem, Volume 16 (10), 2008";ChEMBL
MM476097;MM476097;CNCC(=O)NC(c1cccc(F)c1N1CCN(C(=O)C(C)Cc2ccc(Cl)cc2OC)CC1)C(C)C;IPSFANQKYGITFT-BCHFMIIMSA-N;533.09;4.05;44577091;;;CHEMBL467772;CACO;ECACO;25;0;"<a href=https://www.ebi.ac.uk/chembl/assay_report_card/CHEMBL963797/  target=_blank>CHEMBL963797</a>";;;;;;;;;-5.7;;;;;;;;;;;;"Chen C, Tucci FC, Jiang W, Tran JA, Fleck BA, Hoare SR, Wen J, Chen T, Johns M, Markison S, Foster AC, Marinkovic D, Chen CW, Arellano M, Harman J, Saunders J, Bozigian H, Marks D.: Pharmacological and pharmacokinetic characterization of 2-piperazine-alpha-isopropyl benzylamine derivatives as melanocortin-4 receptor antagonists. Bioorg Med Chem, Volume 16 (10), 2008";ChEMBL
MM476098;MM476098;Cc1nc(C)c(-c2ccnc(Nc3ccc(N(C)C)cc3)n2)s1;FGGSNQOBRJVAKL-UHFFFAOYSA-N;325.44;4.03;447962;;;CHEMBL46817;CACO;ECACO;25;0;"<a href=https://www.ebi.ac.uk/chembl/assay_report_card/CHEMBL1120038/  target=_blank>CHEMBL1120038</a>";;;;;;;;;-4.31;;;;;;;;;;;;"Wang S, Midgley CA, Scaërou F, Grabarek JB, Griffiths G, Jackson W, Kontopidis G, McClue SJ, McInnes C, Meades C, Mezna M, Plater A, Stuart I, Thomas MP, Wood G, Clarke RG, Blake DG, Zheleva DI, Lane DP, Jackson RC, Glover DM, Fischer PM.: Discovery of N-phenyl-4-(thiazol-5-yl)pyrimidin-2-amine aurora kinase inhibitors. J Med Chem, Volume 53 (11), 2010";ChEMBL
MM476099;MM476099;CNCCNC(c1cccc(F)c1N1CCN(C(=O)C(C)Cc2ccc(Cl)cc2)CC1)C(C)C;UPPWDLKGVZSHCS-NLFFAJNJSA-N;489.08;4.51;44577089;;;CHEMBL468579;CACO;ECACO;25;0;"<a href=https://www.ebi.ac.uk/chembl/assay_report_card/CHEMBL963797/  target=_blank>CHEMBL963797</a>";;;;;;;;;-6.4;;;;;;;;;;;;"Chen C, Tucci FC, Jiang W, Tran JA, Fleck BA, Hoare SR, Wen J, Chen T, Johns M, Markison S, Foster AC, Marinkovic D, Chen CW, Arellano M, Harman J, Saunders J, Bozigian H, Marks D.: Pharmacological and pharmacokinetic characterization of 2-piperazine-alpha-isopropyl benzylamine derivatives as melanocortin-4 receptor antagonists. Bioorg Med Chem, Volume 16 (10), 2008";ChEMBL
MM476100;MM476100;COc1cc(Cl)ccc1CC(C)C(=O)N1CCN(c2ccc(Cl)cc2C(NC(=O)C2CNC2)C(C)C)CC1;WKJNPGWIMYANRU-WINIVTDRSA-N;561.55;4.56;44577095;;;CHEMBL468636;CACO;ECACO;25;0;"<a href=https://www.ebi.ac.uk/chembl/assay_report_card/CHEMBL963797/  target=_blank>CHEMBL963797</a>";;;;;;;;;-6.52;;;;;;;;;;;;"Chen C, Tucci FC, Jiang W, Tran JA, Fleck BA, Hoare SR, Wen J, Chen T, Johns M, Markison S, Foster AC, Marinkovic D, Chen CW, Arellano M, Harman J, Saunders J, Bozigian H, Marks D.: Pharmacological and pharmacokinetic characterization of 2-piperazine-alpha-isopropyl benzylamine derivatives as melanocortin-4 receptor antagonists. Bioorg Med Chem, Volume 16 (10), 2008";ChEMBL
MM476110;MM476110;O=C(O)CC(c1ccc2c(c1)OCO2)N1CCc2cc(Oc3cccc4c3nc3n4CCCN3)ccc2C1=O;MLCFOKYQRPBDTP-UHFFFAOYSA-N;526.55;4.59;135983770;;;CHEMBL471675;CACO;ECACO;25;0;"<a href=https://www.ebi.ac.uk/chembl/assay_report_card/CHEMBL1029032/  target=_blank>CHEMBL1029032</a>";;;;;;;;;-5.05;;;;;;;;;;;;"Letourneau JJ, Liu J, Ohlmeyer MH, Riviello C, Rong Y, Li H, Appell KC, Bansal S, Jacob B, Wong A, Webb ML.: Synthesis and initial evaluation of novel, non-peptidic antagonists of the alpha(v)-integrins alpha(v)beta(3) and alpha(v)beta(5). Bioorg Med Chem Lett, Volume 19 (2), 2009";ChEMBL
MM476117;MM476117;COc1cc(Nc2nc(NC3CCCCC3N)n3ncnc3c2C(N)=O)cc(OC)c1;RVIMFNLCTIXVKN-CABCVRRESA-N;426.48;1.67;44589022;;;CHEMBL475575;CACO;ECACO;25;0;"<a href=https://www.ebi.ac.uk/chembl/assay_report_card/CHEMBL992586/  target=_blank>CHEMBL992586</a>";;;;;;;;;-6.48;;;;;;;;;;;;"Hirabayashi A, Mukaiyama H, Kobayashi H, Shiohara H, Nakayama S, Ozawa M, Tsuji E, Miyazawa K, Misawa K, Ohnota H, Isaji M.: Structure-activity relationship studies of imidazo[1,2-c]pyrimidine derivatives as potent and orally effective Syk family kinases inhibitors. Bioorg Med Chem, Volume 16 (20), 2008";ChEMBL
MM476118;MM476118;COc1cc(Nc2nc(NC3CCCCC3N)n3cnnc3c2C(N)=O)cc(OC)c1;JMJSTGZRLYHCCI-CABCVRRESA-N;426.48;1.67;44589002;;;CHEMBL475609;CACO;ECACO;25;0;"<a href=https://www.ebi.ac.uk/chembl/assay_report_card/CHEMBL992586/  target=_blank>CHEMBL992586</a>";;;;;;;;;-8;;;;;;;;;;;;"Hirabayashi A, Mukaiyama H, Kobayashi H, Shiohara H, Nakayama S, Ozawa M, Tsuji E, Miyazawa K, Misawa K, Ohnota H, Isaji M.: Structure-activity relationship studies of imidazo[1,2-c]pyrimidine derivatives as potent and orally effective Syk family kinases inhibitors. Bioorg Med Chem, Volume 16 (20), 2008";ChEMBL
MM476119;MM476119;CC(=O)c1cccc(C(O)C(O)C(O)CO)n1;XBHMEEKJDROEIF-GMTAPVOTSA-N;241.24;-0.97;44185921;;;CHEMBL475689;CACO;ECACO;25;0;"<a href=https://www.ebi.ac.uk/chembl/assay_report_card/CHEMBL952663/  target=_blank>CHEMBL952663</a>";;;;;;;;;-4.87;;;;;;;;;;;;"Bagdanoff JT, Donoviel MS, Nouraldeen A, Tarver J, Fu Q, Carlsen M, Jessop TC, Zhang H, Hazelwood J, Nguyen H, Baugh SD, Gardyan M, Terranova KM, Barbosa J, Yan J, Bednarz M, Layek S, Courtney LF, Taylor J, Digeorge-Foushee AM, Gopinathan S, Bruce D, Smith T, Moran L, O'Neill E, Kramer J, Lai Z, Kimball SD, Liu Q, Sun W, Yu S, Swaffield J, Wilson A, Main A, Carson KG, Oravecz T, Augeri DJ.: Inhibition of sphingosine-1-phosphate lyase for the treatment of autoimmune disorders. J Med Chem, Volume 52 (13), 2009";ChEMBL
MM476122;MM476122;CS(=O)(=O)Nc1ccc2c(c1)S(=O)(=O)N=C(c1c(O)c(N3CCCC3)nn(CCC3CC3)c1=O)N2;KMOJGDJFMHWZFM-UHFFFAOYSA-N;522.61;1.28;135886386;;;CHEMBL476559;CACO;ECACO;25;0;"<a href=https://www.ebi.ac.uk/chembl/assay_report_card/CHEMBL983545/  target=_blank>CHEMBL983545</a>";;;;;;;;;-6.66;;;;;;;;;;;;"Dragovich PS, Blazel JK, Ellis DA, Han Q, Kamran R, Kissinger CR, LeBrun LA, Li LS, Murphy DE, Noble M, Patel RA, Ruebsam F, Sergeeva MV, Shah AM, Showalter RE, Tran CV, Tsan M, Webber SE, Kirkovsky L, Zhou Y.: Novel HCV NS5B polymerase inhibitors derived from 4-(1',1'-dioxo-1',4'-dihydro-1'lambda(6)-benzo[1',2',4']thiadiazin-3'-yl)-5-hydroxy-2H-pyridazin-3-ones. Part 5: Exploration of pyridazinones containing 6-amino-substituents. Bioorg Med Chem Lett, Volume 18 (20), 2008";ChEMBL
MM476125;MM476125;CC(C)(C)CCn1nc(N2CCCC2)c(O)c(C2=NS(=O)(=O)c3cc(NS(C)(=O)=O)ccc3N2)c1=O;DHEWIAANKVYIMN-UHFFFAOYSA-N;538.65;1.92;135886385;;;CHEMBL477178;CACO;ECACO;25;0;"<a href=https://www.ebi.ac.uk/chembl/assay_report_card/CHEMBL983545/  target=_blank>CHEMBL983545</a>";;;;;;;;;-6.43;;;;;;;;;;;;"Dragovich PS, Blazel JK, Ellis DA, Han Q, Kamran R, Kissinger CR, LeBrun LA, Li LS, Murphy DE, Noble M, Patel RA, Ruebsam F, Sergeeva MV, Shah AM, Showalter RE, Tran CV, Tsan M, Webber SE, Kirkovsky L, Zhou Y.: Novel HCV NS5B polymerase inhibitors derived from 4-(1',1'-dioxo-1',4'-dihydro-1'lambda(6)-benzo[1',2',4']thiadiazin-3'-yl)-5-hydroxy-2H-pyridazin-3-ones. Part 5: Exploration of pyridazinones containing 6-amino-substituents. Bioorg Med Chem Lett, Volume 18 (20), 2008";ChEMBL
MM476126;MM476126;CC(C)CCn1nc(N(C)C(C)C)c(O)c(C2=NS(=O)(=O)c3cc(NS(C)(=O)=O)ccc3N2)c1=O;HQJVPSGXTRMVJB-UHFFFAOYSA-N;526.64;1.77;135871036;;;CHEMBL477798;CACO;ECACO;25;0;"<a href=https://www.ebi.ac.uk/chembl/assay_report_card/CHEMBL983545/  target=_blank>CHEMBL983545</a>";;;;;;;;;-6.11;;;;;;;;;;;;"Dragovich PS, Blazel JK, Ellis DA, Han Q, Kamran R, Kissinger CR, LeBrun LA, Li LS, Murphy DE, Noble M, Patel RA, Ruebsam F, Sergeeva MV, Shah AM, Showalter RE, Tran CV, Tsan M, Webber SE, Kirkovsky L, Zhou Y.: Novel HCV NS5B polymerase inhibitors derived from 4-(1',1'-dioxo-1',4'-dihydro-1'lambda(6)-benzo[1',2',4']thiadiazin-3'-yl)-5-hydroxy-2H-pyridazin-3-ones. Part 5: Exploration of pyridazinones containing 6-amino-substituents. Bioorg Med Chem Lett, Volume 18 (20), 2008";ChEMBL
MM476128;MM476128;CC(C)CCn1nc(N2CCOCC2)c(O)c(C2=NS(=O)(=O)c3cc(NS(C)(=O)=O)ccc3N2)c1=O;CSQSOLBGPHWFDY-UHFFFAOYSA-N;540.62;0.76;135923018;;;CHEMBL478019;CACO;ECACO;25;0;"<a href=https://www.ebi.ac.uk/chembl/assay_report_card/CHEMBL983545/  target=_blank>CHEMBL983545</a>";;;;;;;;;-7.68;;;;;;;;;;;;"Dragovich PS, Blazel JK, Ellis DA, Han Q, Kamran R, Kissinger CR, LeBrun LA, Li LS, Murphy DE, Noble M, Patel RA, Ruebsam F, Sergeeva MV, Shah AM, Showalter RE, Tran CV, Tsan M, Webber SE, Kirkovsky L, Zhou Y.: Novel HCV NS5B polymerase inhibitors derived from 4-(1',1'-dioxo-1',4'-dihydro-1'lambda(6)-benzo[1',2',4']thiadiazin-3'-yl)-5-hydroxy-2H-pyridazin-3-ones. Part 5: Exploration of pyridazinones containing 6-amino-substituents. Bioorg Med Chem Lett, Volume 18 (20), 2008";ChEMBL
MM476129;MM476129;O=C(Nc1ccc(S(=O)(=O)C(F)(F)F)cc1)C1=CCN(c2ncccc2C(F)(F)F)CC1;SDUAWRFBHRAFBM-UHFFFAOYSA-N;479.4;4.17;11420211;;;CHEMBL482834;CACO;ECACO;25;0;"<a href=https://www.ebi.ac.uk/chembl/assay_report_card/CHEMBL990797/  target=_blank>CHEMBL990797</a>";;;;;;;;;-4.55;;;;;;;;;;;;"Brown BS, Keddy R, Zheng GZ, Schmidt RG, Koenig JR, McDonald HA, Bianchi BR, Honore P, Jarvis MF, Surowy CS, Polakowski JS, Marsh KC, Faltynek CR, Lee CH.: Tetrahydropyridine-4-carboxamides as novel, potent transient receptor potential vanilloid 1 (TRPV1) antagonists. Bioorg Med Chem, Volume 16 (18), 2008";ChEMBL
MM476130;MM476130;Cc1nc(N)sc1-c1ccnc(Nc2ccc(N3CCOCC3)cc2)n1;GPSZYOIFQZPWEJ-UHFFFAOYSA-N;368.47;3.07;6420138;;;CHEMBL482967;CACO;ECACO;25;0;"<a href=https://www.ebi.ac.uk/chembl/assay_report_card/CHEMBL1120038/  target=_blank>CHEMBL1120038</a>";;;;;;;;;-4.33;;;;;;;;;;;;"Wang S, Midgley CA, Scaërou F, Grabarek JB, Griffiths G, Jackson W, Kontopidis G, McClue SJ, McInnes C, Meades C, Mezna M, Plater A, Stuart I, Thomas MP, Wood G, Clarke RG, Blake DG, Zheleva DI, Lane DP, Jackson RC, Glover DM, Fischer PM.: Discovery of N-phenyl-4-(thiazol-5-yl)pyrimidin-2-amine aurora kinase inhibitors. J Med Chem, Volume 53 (11), 2010";ChEMBL
MM476131;MM476131;OCC(O)C(O)C(O)c1cnc(-c2cocn2)[nH]1;GXYOUTDQUGPHGF-IWSPIJDZSA-N;255.23;-1.19;44186043;;;CHEMBL483880;CACO;ECACO;25;0;"<a href=https://www.ebi.ac.uk/chembl/assay_report_card/CHEMBL952663/  target=_blank>CHEMBL952663</a>";;;;;;;;;-6.05;;;;;;;;;;;;"Bagdanoff JT, Donoviel MS, Nouraldeen A, Tarver J, Fu Q, Carlsen M, Jessop TC, Zhang H, Hazelwood J, Nguyen H, Baugh SD, Gardyan M, Terranova KM, Barbosa J, Yan J, Bednarz M, Layek S, Courtney LF, Taylor J, Digeorge-Foushee AM, Gopinathan S, Bruce D, Smith T, Moran L, O'Neill E, Kramer J, Lai Z, Kimball SD, Liu Q, Sun W, Yu S, Swaffield J, Wilson A, Main A, Carson KG, Oravecz T, Augeri DJ.: Inhibition of sphingosine-1-phosphate lyase for the treatment of autoimmune disorders. J Med Chem, Volume 52 (13), 2009";ChEMBL
MM476132;MM476132;OC[C@@H](O)[C@@H](O)[C@H](O)c1c[nH]c(-c2nc[nH]n2)n1;FQCLVDRYEUMURT-FSDSQADBSA-N;255.23;-2.06;;;;;CACO;ECACO;25;0;"<a href=https://www.ebi.ac.uk/chembl/assay_report_card/CHEMBL952663/  target=_blank>CHEMBL952663</a>";;;;;;;;;-6;;;;;;;;;;;;"Bagdanoff JT, Donoviel MS, Nouraldeen A, Tarver J, Fu Q, Carlsen M, Jessop TC, Zhang H, Hazelwood J, Nguyen H, Baugh SD, Gardyan M, Terranova KM, Barbosa J, Yan J, Bednarz M, Layek S, Courtney LF, Taylor J, Digeorge-Foushee AM, Gopinathan S, Bruce D, Smith T, Moran L, O'Neill E, Kramer J, Lai Z, Kimball SD, Liu Q, Sun W, Yu S, Swaffield J, Wilson A, Main A, Carson KG, Oravecz T, Augeri DJ.: Inhibition of sphingosine-1-phosphate lyase for the treatment of autoimmune disorders. J Med Chem, Volume 52 (13), 2009";ChEMBL
MM476134;MM476134;CN(C)C(=O)c1ncc(C(O)C(O)C(O)CO)[nH]1;PCVMKBXIOOPECB-BWZBUEFSSA-N;259.26;-2.14;44185982;;;CHEMBL484480;CACO;ECACO;25;0;"<a href=https://www.ebi.ac.uk/chembl/assay_report_card/CHEMBL952663/  target=_blank>CHEMBL952663</a>";;;;;;;;;-5;;;;;;;;;;;;"Bagdanoff JT, Donoviel MS, Nouraldeen A, Tarver J, Fu Q, Carlsen M, Jessop TC, Zhang H, Hazelwood J, Nguyen H, Baugh SD, Gardyan M, Terranova KM, Barbosa J, Yan J, Bednarz M, Layek S, Courtney LF, Taylor J, Digeorge-Foushee AM, Gopinathan S, Bruce D, Smith T, Moran L, O'Neill E, Kramer J, Lai Z, Kimball SD, Liu Q, Sun W, Yu S, Swaffield J, Wilson A, Main A, Carson KG, Oravecz T, Augeri DJ.: Inhibition of sphingosine-1-phosphate lyase for the treatment of autoimmune disorders. J Med Chem, Volume 52 (13), 2009";ChEMBL
MM476135;MM476135;Cc1scnc1-c1ncc(C(O)C(O)C(O)CO)[nH]1;KHBNEDHJPGHGMQ-SZEHBUNVSA-N;285.33;-0.41;44186041;;;CHEMBL484690;CACO;ECACO;25;0;"<a href=https://www.ebi.ac.uk/chembl/assay_report_card/CHEMBL952663/  target=_blank>CHEMBL952663</a>";;;;;;;;;-5.31;;;;;;;;;;;;"Bagdanoff JT, Donoviel MS, Nouraldeen A, Tarver J, Fu Q, Carlsen M, Jessop TC, Zhang H, Hazelwood J, Nguyen H, Baugh SD, Gardyan M, Terranova KM, Barbosa J, Yan J, Bednarz M, Layek S, Courtney LF, Taylor J, Digeorge-Foushee AM, Gopinathan S, Bruce D, Smith T, Moran L, O'Neill E, Kramer J, Lai Z, Kimball SD, Liu Q, Sun W, Yu S, Swaffield J, Wilson A, Main A, Carson KG, Oravecz T, Augeri DJ.: Inhibition of sphingosine-1-phosphate lyase for the treatment of autoimmune disorders. J Med Chem, Volume 52 (13), 2009";ChEMBL
MM476136;MM476136;COc1cc(Nc2nc(NC3CCCCC3N)n3ccnc3c2C(N)=O)cc(OC)c1;DVAXQAPODFQWRX-CVEARBPZSA-N;425.49;2.27;44589001;;;CHEMBL485204;CACO;ECACO;25;0;"<a href=https://www.ebi.ac.uk/chembl/assay_report_card/CHEMBL992586/  target=_blank>CHEMBL992586</a>";;;;;;;;;-5.48;;;;;;;;;;;;"Hirabayashi A, Mukaiyama H, Kobayashi H, Shiohara H, Nakayama S, Ozawa M, Tsuji E, Miyazawa K, Misawa K, Ohnota H, Isaji M.: Structure-activity relationship studies of imidazo[1,2-c]pyrimidine derivatives as potent and orally effective Syk family kinases inhibitors. Bioorg Med Chem, Volume 16 (20), 2008";ChEMBL
MM476140;MM476140;COc1ccc(CNc2ncnc3c(CCO)c(OC)c(NC(C)=O)cc23)cc1Cl;YZMXAIKXCRWLSJ-UHFFFAOYSA-N;430.89;3.41;24810103;;;CHEMBL488265;CACO;ECACO;25;0;"<a href=https://www.ebi.ac.uk/chembl/assay_report_card/CHEMBL963854/  target=_blank>CHEMBL963854</a>";;;;;;;;;-4.76;;;;;;;;;;;;"Kim YH, Choi H, Lee J, Hwang IC, Moon SK, Kim SJ, Lee HW, Im DS, Lee SS, Ahn SK, Kim SW, Han CK, Yoon JH, Lee KJ, Choi NS.: Quinazolines as potent and highly selective PDE5 inhibitors as potential therapeutics for male erectile dysfunction. Bioorg Med Chem Lett, Volume 18 (23), 2008";ChEMBL
MM476141;MM476141;CC(=O)c1nc([C@@H](O)[C@H](O)[C@H](O)CO)c[nH]1;CQSIXFHVGKMLGQ-BWZBUEFSSA-N;230.22;-1.64;;;;;CACO;ECACO;25;0;"<a href=https://www.ebi.ac.uk/chembl/assay_report_card/CHEMBL952663/  target=_blank>CHEMBL952663</a>";;;;;;;;;-4.96;;;;;;;;;;;;"Bagdanoff JT, Donoviel MS, Nouraldeen A, Tarver J, Fu Q, Carlsen M, Jessop TC, Zhang H, Hazelwood J, Nguyen H, Baugh SD, Gardyan M, Terranova KM, Barbosa J, Yan J, Bednarz M, Layek S, Courtney LF, Taylor J, Digeorge-Foushee AM, Gopinathan S, Bruce D, Smith T, Moran L, O'Neill E, Kramer J, Lai Z, Kimball SD, Liu Q, Sun W, Yu S, Swaffield J, Wilson A, Main A, Carson KG, Oravecz T, Augeri DJ.: Inhibition of sphingosine-1-phosphate lyase for the treatment of autoimmune disorders. J Med Chem, Volume 52 (13), 2009";ChEMBL
MM476142;MM476142;CC(=O)c1ncc(C(O)C(O)C(O)CO)s1;DDYLLKRDNVSZQV-LPBLVHEISA-N;247.27;-0.91;10198793;;;CHEMBL488545;CACO;ECACO;25;0;"<a href=https://www.ebi.ac.uk/chembl/assay_report_card/CHEMBL952663/  target=_blank>CHEMBL952663</a>";;;;;;;;;-4.86;;;;;;;;;;;;"Bagdanoff JT, Donoviel MS, Nouraldeen A, Tarver J, Fu Q, Carlsen M, Jessop TC, Zhang H, Hazelwood J, Nguyen H, Baugh SD, Gardyan M, Terranova KM, Barbosa J, Yan J, Bednarz M, Layek S, Courtney LF, Taylor J, Digeorge-Foushee AM, Gopinathan S, Bruce D, Smith T, Moran L, O'Neill E, Kramer J, Lai Z, Kimball SD, Liu Q, Sun W, Yu S, Swaffield J, Wilson A, Main A, Carson KG, Oravecz T, Augeri DJ.: Inhibition of sphingosine-1-phosphate lyase for the treatment of autoimmune disorders. J Med Chem, Volume 52 (13), 2009";ChEMBL
MM476143;MM476143;Oc1ccc(-c2cnc(-c3cccc(O)c3)o2)cc1;QWBAQAYKEITCRE-UHFFFAOYSA-N;253.26;3.42;24857878;;;CHEMBL488752;CACO;ECACO;25;0;"<a href=https://www.ebi.ac.uk/chembl/assay_report_card/CHEMBL958063/  target=_blank>CHEMBL958063</a>";;;;;;;;;-5.1;;;;;;;;;;;;"Bey E, Marchais-Oberwinkler S, Kruchten P, Frotscher M, Werth R, Oster A, Algül O, Neugebauer A, Hartmann RW.: Design, synthesis and biological evaluation of bis(hydroxyphenyl) azoles as potent and selective non-steroidal inhibitors of 17beta-hydroxysteroid dehydrogenase type 1 (17beta-HSD1) for the treatment of estrogen-dependent diseases. Bioorg Med Chem, Volume 16 (12), 2008";ChEMBL
MM476145;MM476145;CC(=O)c1ncc(C(O)C(O)C(O)C(=O)N(C)C)[nH]1;RFGKBXTYQMUSJY-VGMNWLOBSA-N;271.27;-1.54;44186113;;;CHEMBL490462;CACO;ECACO;25;0;"<a href=https://www.ebi.ac.uk/chembl/assay_report_card/CHEMBL952663/  target=_blank>CHEMBL952663</a>";;;;;;;;;-4.99;;;;;;;;;;;;"Bagdanoff JT, Donoviel MS, Nouraldeen A, Tarver J, Fu Q, Carlsen M, Jessop TC, Zhang H, Hazelwood J, Nguyen H, Baugh SD, Gardyan M, Terranova KM, Barbosa J, Yan J, Bednarz M, Layek S, Courtney LF, Taylor J, Digeorge-Foushee AM, Gopinathan S, Bruce D, Smith T, Moran L, O'Neill E, Kramer J, Lai Z, Kimball SD, Liu Q, Sun W, Yu S, Swaffield J, Wilson A, Main A, Carson KG, Oravecz T, Augeri DJ.: Inhibition of sphingosine-1-phosphate lyase for the treatment of autoimmune disorders. J Med Chem, Volume 52 (13), 2009";ChEMBL
MM476146;MM476146;CC(=O)c1ncc(C(O)C(O)C(O)CO)[nH]1;CQSIXFHVGKMLGQ-PRJMDXOYSA-N;230.22;-1.64;10633205;;;CHEMBL490657;CACO;ECACO;25;0;"<a href=https://www.ebi.ac.uk/chembl/assay_report_card/CHEMBL952663/  target=_blank>CHEMBL952663</a>";;;;;;;;;-5;;;;;;;;;;;;"Bagdanoff JT, Donoviel MS, Nouraldeen A, Tarver J, Fu Q, Carlsen M, Jessop TC, Zhang H, Hazelwood J, Nguyen H, Baugh SD, Gardyan M, Terranova KM, Barbosa J, Yan J, Bednarz M, Layek S, Courtney LF, Taylor J, Digeorge-Foushee AM, Gopinathan S, Bruce D, Smith T, Moran L, O'Neill E, Kramer J, Lai Z, Kimball SD, Liu Q, Sun W, Yu S, Swaffield J, Wilson A, Main A, Carson KG, Oravecz T, Augeri DJ.: Inhibition of sphingosine-1-phosphate lyase for the treatment of autoimmune disorders. J Med Chem, Volume 52 (13), 2009";ChEMBL
MM476147;MM476147;OC(CN1c2cccc(-c3cccc(OC(F)(F)F)c3)c2CCC1c1cccc(OC(F)(F)F)c1)C(F)(F)F;CMOJRCASVGGDKQ-GGAORHGYSA-N;565.43;7.57;44591717;;;CHEMBL490868;CACO;ECACO;25;0;"<a href=https://www.ebi.ac.uk/chembl/assay_report_card/CHEMBL1010552/  target=_blank>CHEMBL1010552</a>";;;;;;;;;-5.33;;;;;;;;;;;;"Rano TA, Sieber-McMaster E, Pelton PD, Yang M, Demarest KT, Kuo GH.: Design and synthesis of potent inhibitors of cholesteryl ester transfer protein (CETP) exploiting a 1,2,3,4-tetrahydroquinoline platform. Bioorg Med Chem Lett, Volume 19 (9), 2009";ChEMBL
MM476150;MM476150;O=C(C(=O)N1CCN(C(=O)c2ccccc2)CC1)c1c[nH]c2c(F)ccc(F)c12;IWOHGNFDYTXSAA-UHFFFAOYSA-N;397.38;2.61;506241;;;CHEMBL494225;CACO;ECACO;25;0;"<a href=https://www.ebi.ac.uk/chembl/assay_report_card/CHEMBL956793/  target=_blank>CHEMBL956793</a>";;;;;;;;;-4.66;;;;;;;;;;;;"Meanwell NA, Wallace OB, Fang H, Wang H, Deshpande M, Wang T, Yin Z, Zhang Z, Pearce BC, James J, Yeung KS, Qiu Z, Kim Wright JJ, Yang Z, Zadjura L, Tweedie DL, Yeola S, Zhao F, Ranadive S, Robinson BA, Gong YF, Wang HG, Spicer TP, Blair WS, Shi PY, Colonno RJ, Lin PF.: Inhibitors of HIV-1 attachment. Part 2: An initial survey of indole substitution patterns. Bioorg Med Chem Lett, Volume 19 (7), 2009";ChEMBL
MM476154;MM476154;CN(c1ccc(NC(=O)C(C)(O)C(F)(F)F)c(Cl)c1)S(=O)(=O)c1ccc(C#N)cc1;NZPSTYAGNIOCBZ-UHFFFAOYSA-N;461.85;3.29;42601437;;;CHEMBL495196;CACO;ECACO;25;0;"<a href=https://www.ebi.ac.uk/chembl/assay_report_card/CHEMBL960898/  target=_blank>CHEMBL960898</a>";;;;;;;;;-4.55;;;;;;;;;;;;"Swahn BM, Macsari I, Viklund J, Ohberg L, Sjödin J, Neelissen J, Lindquist J.: Liver X receptor agonists with selectivity for LXRbeta; N-aryl-3,3,3-trifluoro-2-hydroxy-2-methylpropionamides. Bioorg Med Chem Lett, Volume 19 (7), 2009";ChEMBL
MM476160;MM476160;O=c1c(C2=CS(=O)(=O)c3ccccc3N2)c(O)c2ccccc2n1Cc1ccc(F)cc1;UQCRWUKAPCLLPC-UHFFFAOYSA-N;448.48;4.09;54735541;;;CHEMBL497007;CACO;ECACO;25;0;"<a href=https://www.ebi.ac.uk/chembl/assay_report_card/CHEMBL1008281/  target=_blank>CHEMBL1008281</a>";;;;;;;;;-5.36;;;;;;;;;;;;"Hendricks RT, Fell JB, Blake JF, Fischer JP, Robinson JE, Spencer SR, Stengel PJ, Bernacki AL, Leveque VJ, Le Pogam S, Rajyaguru S, Najera I, Josey JA, Harris JR, Swallow S.: Non-nucleoside inhibitors of HCV NS5B polymerase. Part 1: Synthetic and computational exploration of the binding modes of benzothiadiazine and 1,4-benzothiazine HCV NS5b polymerase inhibitors. Bioorg Med Chem Lett, Volume 19 (13), 2009";ChEMBL
MM476161;MM476161;Cc1ccc2c(c1)c(O)c(C1=CS(=O)(=O)c3ccccc3N1)c(=O)n2CCC1CC1;AVEUJPSFVWFQTK-UHFFFAOYSA-N;422.51;4.01;54735535;;;CHEMBL497038;CACO;ECACO;25;0;"<a href=https://www.ebi.ac.uk/chembl/assay_report_card/CHEMBL1008281/  target=_blank>CHEMBL1008281</a>";;;;;;;;;-5.03;;;;;;;;;;;;"Hendricks RT, Fell JB, Blake JF, Fischer JP, Robinson JE, Spencer SR, Stengel PJ, Bernacki AL, Leveque VJ, Le Pogam S, Rajyaguru S, Najera I, Josey JA, Harris JR, Swallow S.: Non-nucleoside inhibitors of HCV NS5B polymerase. Part 1: Synthetic and computational exploration of the binding modes of benzothiadiazine and 1,4-benzothiazine HCV NS5b polymerase inhibitors. Bioorg Med Chem Lett, Volume 19 (13), 2009";ChEMBL
MM476166;MM476166;O=c1c(C2=CS(=O)(=O)c3ccccc3N2)c(O)c2cc(F)ccc2n1CCC1CC1;;426.47;3.84;54735533;;;CHEMBL497422;CACO;ECACO;25;0;"<a href=https://www.ebi.ac.uk/chembl/assay_report_card/CHEMBL1008281/  target=_blank>CHEMBL1008281</a>";;;;;;;;;-5.19;;;;;;;;;;;;"Hendricks RT, Fell JB, Blake JF, Fischer JP, Robinson JE, Spencer SR, Stengel PJ, Bernacki AL, Leveque VJ, Le Pogam S, Rajyaguru S, Najera I, Josey JA, Harris JR, Swallow S.: Non-nucleoside inhibitors of HCV NS5B polymerase. Part 1: Synthetic and computational exploration of the binding modes of benzothiadiazine and 1,4-benzothiazine HCV NS5b polymerase inhibitors. Bioorg Med Chem Lett, Volume 19 (13), 2009";ChEMBL
MM476168;MM476168;CC(Cc1ccc(Cl)cc1)C(=O)N1CCN(c2c(F)cccc2C(NC(=O)CCN(C)C)C(C)C)CC1;ROSDSGGMKIYLIM-ZBLYBZFDSA-N;531.12;4.77;44577060;;;CHEMBL497746;CACO;ECACO;25;0;"<a href=https://www.ebi.ac.uk/chembl/assay_report_card/CHEMBL963797/  target=_blank>CHEMBL963797</a>";;;;;;;;;-5;;;;;;;;;;;;"Chen C, Tucci FC, Jiang W, Tran JA, Fleck BA, Hoare SR, Wen J, Chen T, Johns M, Markison S, Foster AC, Marinkovic D, Chen CW, Arellano M, Harman J, Saunders J, Bozigian H, Marks D.: Pharmacological and pharmacokinetic characterization of 2-piperazine-alpha-isopropyl benzylamine derivatives as melanocortin-4 receptor antagonists. Bioorg Med Chem, Volume 16 (10), 2008";ChEMBL
MM476169;MM476169;CC(Cc1ccc(Cl)cc1)C(=O)N1CCN(c2ccc(Cl)cc2C(NC(=O)C2CN(C)C2)C(C)C)CC1;SYIWIZYUJLMOJX-HRFSGMKKSA-N;545.56;4.9;44577063;;;CHEMBL498150;CACO;ECACO;25;0;"<a href=https://www.ebi.ac.uk/chembl/assay_report_card/CHEMBL963797/  target=_blank>CHEMBL963797</a>";;;;;;;;;-5.7;;;;;;;;;;;;"Chen C, Tucci FC, Jiang W, Tran JA, Fleck BA, Hoare SR, Wen J, Chen T, Johns M, Markison S, Foster AC, Marinkovic D, Chen CW, Arellano M, Harman J, Saunders J, Bozigian H, Marks D.: Pharmacological and pharmacokinetic characterization of 2-piperazine-alpha-isopropyl benzylamine derivatives as melanocortin-4 receptor antagonists. Bioorg Med Chem, Volume 16 (10), 2008";ChEMBL
(2S)-1-(tert-butylamino)-3-[(4-morpholin-4-yl-1,2,5-thiadiazol-3-yl)oxy]propan-2-ol;MM00573;CC(C)(C)NCC(O)COc1nsnc1N1CCOCC1;BLJRIMJGRPQVNF-UHFFFAOYSA-N;316.43;0.5;33624;DB00373;TIM;CHEMBL499;CACO;ECACO;25;0;"<a href=https://www.ebi.ac.uk/chembl/assay_report_card/CHEMBL619358/  target=_blank>CHEMBL619358</a>";;;;;;;;;-4.89;;;;;;;;;;;;"Mandagere AK, Thompson TN, Hwang KK.: Graphical model for estimating oral bioavailability of drugs in humans and other species from their Caco-2 permeability and in vitro liver enzyme metabolic stability rates. J Med Chem, Volume 45 (2), 2002";ChEMBL
Pindolol;MM00542;CC(C)NCC(O)COc1cccc2[nH]ccc12;JZQKKSLKJUAGIC-UHFFFAOYSA-N;248.33;1.91;4828;DB00960;;CHEMBL500;CACO;ECACO;25;0;"<a href=https://www.ebi.ac.uk/chembl/assay_report_card/CHEMBL635760/  target=_blank>CHEMBL635760</a>";;;;;;;;;-4.44;;;;;;;;;;;;"Stenberg P, Norinder U, Luthman K, Artursson P.: Experimental and computational screening models for the prediction of intestinal drug absorption. J Med Chem, Volume 44 (12), 2001";ChEMBL
Pindolol;MM00542;CC(C)NCC(O)COc1cccc2[nH]ccc12;JZQKKSLKJUAGIC-UHFFFAOYSA-N;248.33;1.91;4828;DB00960;;CHEMBL500;CACO;ECACO;25;0;"<a href=https://www.ebi.ac.uk/chembl/assay_report_card/CHEMBL638024/  target=_blank>CHEMBL638024</a>";;;;;;;;;-4.26;;;;;;;;;;;;"Stenberg P, Norinder U, Luthman K, Artursson P.: Experimental and computational screening models for the prediction of intestinal drug absorption. J Med Chem, Volume 44 (12), 2001";ChEMBL
MM476177;MM476177;CC(F)(F)c1ncc(C(O)C(O)C(O)CO)[nH]1;ZDWVFXNHLJHSPG-FSDSQADBSA-N;252.22;-0.73;44138147;;;CHEMBL501052;CACO;ECACO;25;0;"<a href=https://www.ebi.ac.uk/chembl/assay_report_card/CHEMBL952663/  target=_blank>CHEMBL952663</a>";;;;;;;;;-4.95;;;;;;;;;;;;"Bagdanoff JT, Donoviel MS, Nouraldeen A, Tarver J, Fu Q, Carlsen M, Jessop TC, Zhang H, Hazelwood J, Nguyen H, Baugh SD, Gardyan M, Terranova KM, Barbosa J, Yan J, Bednarz M, Layek S, Courtney LF, Taylor J, Digeorge-Foushee AM, Gopinathan S, Bruce D, Smith T, Moran L, O'Neill E, Kramer J, Lai Z, Kimball SD, Liu Q, Sun W, Yu S, Swaffield J, Wilson A, Main A, Carson KG, Oravecz T, Augeri DJ.: Inhibition of sphingosine-1-phosphate lyase for the treatment of autoimmune disorders. J Med Chem, Volume 52 (13), 2009";ChEMBL
MM476179;MM476179;"C=CC1=C(C)/C(=C/c2[nH]c(Cc3[nH]c(/C=C4\NC(=O)C(C)=C4C=C)c(C)c3CCC(=O)O)c(CCC(=O)O)c2C)NC1=O";BPYKTIZUTYGOLE-IFADSCNNSA-N;584.67;4.53;;;;;CACO;ECACO;25;0;"<a href=https://www.ebi.ac.uk/chembl/assay_report_card/CHEMBL975052/  target=_blank>CHEMBL975052</a>";;;;;;;;;-7.7;;;;;;;;;;;;"Bulmer AC, Blanchfield JT, Coombes JS, Toth I.: In vitro permeability and metabolic stability of bile pigments and the effects of hydrophilic and lipophilic modification of biliverdin. Bioorg Med Chem, Volume 16 (7), 2008";ChEMBL
MM476179;MM476179;"C=CC1=C(C)/C(=C/c2[nH]c(Cc3[nH]c(/C=C4\NC(=O)C(C)=C4C=C)c(C)c3CCC(=O)O)c(CCC(=O)O)c2C)NC1=O";BPYKTIZUTYGOLE-IFADSCNNSA-N;584.67;4.53;;;;;CACO;ECACO;25;0;"<a href=https://www.ebi.ac.uk/chembl/assay_report_card/CHEMBL975053/  target=_blank>CHEMBL975053</a>";;;;;;;;;-5.98;;;;;;;;;;;;"Bulmer AC, Blanchfield JT, Coombes JS, Toth I.: In vitro permeability and metabolic stability of bile pigments and the effects of hydrophilic and lipophilic modification of biliverdin. Bioorg Med Chem, Volume 16 (7), 2008";ChEMBL
MM476181;MM476181;COC(=O)C=CCNC(=O)CN1C(=O)C(COC(=O)Nc2ccc(Cl)cc2C(F)(F)F)N=C(c2ccccc2)c2ccccc21;WFLUSHRKBAULOF-KGUVVTLUSA-N;643.02;5.01;44572423;;;CHEMBL501901;CACO;ECACO;25;0;"<a href=https://www.ebi.ac.uk/chembl/assay_report_card/CHEMBL1015280/  target=_blank>CHEMBL1015280</a>";;;;;;;;;-5.42;;;;;;;;;;;;"Ettari R, Micale N, Schirmeister T, Gelhaus C, Leippe M, Nizi E, Di Francesco ME, Grasso S, Zappalà M.: Novel peptidomimetics containing a vinyl ester moiety as highly potent and selective falcipain-2 inhibitors. J Med Chem, Volume 52 (7), 2009";ChEMBL
MM476182;MM476182;CC(=O)NN=C(C)c1ncc(C(O)C(O)C(O)CO)[nH]1;PKLZIULWTVXTRG-PFVSEMTCSA-N;286.29;-1.98;135950192;;;CHEMBL502080;CACO;ECACO;25;0;"<a href=https://www.ebi.ac.uk/chembl/assay_report_card/CHEMBL952663/  target=_blank>CHEMBL952663</a>";;;;;;;;;-5.05;;;;;;;;;;;;"Bagdanoff JT, Donoviel MS, Nouraldeen A, Tarver J, Fu Q, Carlsen M, Jessop TC, Zhang H, Hazelwood J, Nguyen H, Baugh SD, Gardyan M, Terranova KM, Barbosa J, Yan J, Bednarz M, Layek S, Courtney LF, Taylor J, Digeorge-Foushee AM, Gopinathan S, Bruce D, Smith T, Moran L, O'Neill E, Kramer J, Lai Z, Kimball SD, Liu Q, Sun W, Yu S, Swaffield J, Wilson A, Main A, Carson KG, Oravecz T, Augeri DJ.: Inhibition of sphingosine-1-phosphate lyase for the treatment of autoimmune disorders. J Med Chem, Volume 52 (13), 2009";ChEMBL
MM476185;MM476185;Oc1cccc(-c2ccc(-c3cccc(O)c3)cc2)c1;OKAPKQMESLLPQL-UHFFFAOYSA-N;262.31;4.43;21257907;;;CHEMBL502908;CACO;ECACO;25;0;"<a href=https://www.ebi.ac.uk/chembl/assay_report_card/CHEMBL1032443/  target=_blank>CHEMBL1032443</a>";;;;;;;;;-4.9;;;;;;;;;;;;"Bey E, Marchais-Oberwinkler S, Werth R, Negri M, Al-Soud YA, Kruchten P, Oster A, Frotscher M, Birk B, Hartmann RW.: Design, synthesis, biological evaluation and pharmacokinetics of bis(hydroxyphenyl) substituted azoles, thiophenes, benzenes, and aza-benzenes as potent and selective nonsteroidal inhibitors of 17beta-hydroxysteroid dehydrogenase type 1 (17beta-HSD1). J Med Chem, Volume 51 (21), 2008";ChEMBL
MM476187;MM476187;COc1cccc(-c2c(C)n(Cc3c(F)cccc3C(F)(F)F)c(=O)n(CC(c3ccccc3)N(C)CCCC(=O)O)c2=O)c1F;SSTWFLYMZFXJLL-SANMLTNESA-N;645.63;5.88;25156942;;;CHEMBL503705;CACO;ECACO;25;0;"<a href=https://www.ebi.ac.uk/chembl/assay_report_card/CHEMBL1008937/  target=_blank>CHEMBL1008937</a>";;;;;;;;;-5.12;;;;;;;;;;;;"Chen C, Wu D, Guo Z, Xie Q, Reinhart GJ, Madan A, Wen J, Chen T, Huang CQ, Chen M, Chen Y, Tucci FC, Rowbottom M, Pontillo J, Zhu YF, Wade W, Saunders J, Bozigian H, Struthers RS.: Discovery of sodium R-(+)-4-{2-[5-(2-fluoro-3-methoxyphenyl)-3-(2-fluoro-6-[trifluoromethyl]benzyl)-4-methyl-2,6-dioxo-3,6-dihydro-2H-pyrimidin-1-yl]-1-phenylethylamino}butyrate (elagolix), a potent and orally available nonpeptide antagonist of the human gonadotropin-releasing hormone receptor. J Med Chem, Volume 51 (23), 2008";ChEMBL
MM476188;MM476188;C=CC1=C(C)C(=Cc2[nH]c(Cc3[nH]c(C=C4NC(=O)C(C)=C4C=C)c(C)c3CCC(=O)NCCS(=O)(=O)O)c(CCC(=O)NCCS(=O)(=O)O)c2C)NC1=O;IVYBPZIDQLNIHQ-VYTBREFCSA-N;798.94;2.37;13828200;;;CHEMBL504880;CACO;ECACO;25;0;"<a href=https://www.ebi.ac.uk/chembl/assay_report_card/CHEMBL975052/  target=_blank>CHEMBL975052</a>";;;;;;;;;-6.41;;;;;;;;;;;;"Bulmer AC, Blanchfield JT, Coombes JS, Toth I.: In vitro permeability and metabolic stability of bile pigments and the effects of hydrophilic and lipophilic modification of biliverdin. Bioorg Med Chem, Volume 16 (7), 2008";ChEMBL
MM476188;MM476188;C=CC1=C(C)C(=Cc2[nH]c(Cc3[nH]c(C=C4NC(=O)C(C)=C4C=C)c(C)c3CCC(=O)NCCS(=O)(=O)O)c(CCC(=O)NCCS(=O)(=O)O)c2C)NC1=O;IVYBPZIDQLNIHQ-VYTBREFCSA-N;798.94;2.37;13828200;;;CHEMBL504880;CACO;ECACO;25;0;"<a href=https://www.ebi.ac.uk/chembl/assay_report_card/CHEMBL975053/  target=_blank>CHEMBL975053</a>";;;;;;;;;-5.45;;;;;;;;;;;;"Bulmer AC, Blanchfield JT, Coombes JS, Toth I.: In vitro permeability and metabolic stability of bile pigments and the effects of hydrophilic and lipophilic modification of biliverdin. Bioorg Med Chem, Volume 16 (7), 2008";ChEMBL
MM476195;MM476195;Cc1nc(-c2ncc(C(O)C(O)C(O)CO)[nH]2)cs1;WDQBAYNAZJDXIL-OPRDCNLKSA-N;285.33;-0.41;25050315;;;CHEMBL506857;CACO;ECACO;25;0;"<a href=https://www.ebi.ac.uk/chembl/assay_report_card/CHEMBL952663/  target=_blank>CHEMBL952663</a>";;;;;;;;;-4.7;;;;;;;;;;;;"Bagdanoff JT, Donoviel MS, Nouraldeen A, Tarver J, Fu Q, Carlsen M, Jessop TC, Zhang H, Hazelwood J, Nguyen H, Baugh SD, Gardyan M, Terranova KM, Barbosa J, Yan J, Bednarz M, Layek S, Courtney LF, Taylor J, Digeorge-Foushee AM, Gopinathan S, Bruce D, Smith T, Moran L, O'Neill E, Kramer J, Lai Z, Kimball SD, Liu Q, Sun W, Yu S, Swaffield J, Wilson A, Main A, Carson KG, Oravecz T, Augeri DJ.: Inhibition of sphingosine-1-phosphate lyase for the treatment of autoimmune disorders. J Med Chem, Volume 52 (13), 2009";ChEMBL
MM476196;MM476196;COc1cccc(-c2c(C)n(Cc3c(F)cccc3F)c(=O)n(CC(NCCCC(=O)O)c3ccccc3)c2=O)c1F;AXGALHYEZXVPRS-VWLOTQADSA-N;581.59;4.66;25156400;;;CHEMBL506877;CACO;ECACO;25;0;"<a href=https://www.ebi.ac.uk/chembl/assay_report_card/CHEMBL1008937/  target=_blank>CHEMBL1008937</a>";;;;;;;;;-6.4;;;;;;;;;;;;"Chen C, Wu D, Guo Z, Xie Q, Reinhart GJ, Madan A, Wen J, Chen T, Huang CQ, Chen M, Chen Y, Tucci FC, Rowbottom M, Pontillo J, Zhu YF, Wade W, Saunders J, Bozigian H, Struthers RS.: Discovery of sodium R-(+)-4-{2-[5-(2-fluoro-3-methoxyphenyl)-3-(2-fluoro-6-[trifluoromethyl]benzyl)-4-methyl-2,6-dioxo-3,6-dihydro-2H-pyrimidin-1-yl]-1-phenylethylamino}butyrate (elagolix), a potent and orally available nonpeptide antagonist of the human gonadotropin-releasing hormone receptor. J Med Chem, Volume 51 (23), 2008";ChEMBL
MM476199;MM476199;O=C(NOCC(O)CO)c1ccc(F)c(F)c1Nc1ccc(I)cc1F;SUDAHWBOROXANE-SECBINFHSA-N;482.2;2.47;9826528;;;CHEMBL507361;CACO;ECACO;25;0;"<a href=https://www.ebi.ac.uk/chembl/assay_report_card/CHEMBL963135/  target=_blank>CHEMBL963135</a>";;;;;;;;;-4.14;;;;;;;;;;;;"Barrett SD, Bridges AJ, Dudley DT, Saltiel AR, Fergus JH, Flamme CM, Delaney AM, Kaufman M, LePage S, Leopold WR, Przybranowski SA, Sebolt-Leopold J, Van Becelaere K, Doherty AM, Kennedy RM, Marston D, Howard WA, Smith Y, Warmus JS, Tecle H.: The discovery of the benzhydroxamate MEK inhibitors CI-1040 and PD 0325901. Bioorg Med Chem Lett, Volume 18 (24), 2008";ChEMBL
MM476203;MM476203;c1csc(C23CNCC2C3)c1;DMILNTFRFSJCOO-VXNVDRBHSA-N;165.26;1.61;44561209;;;CHEMBL508156;CACO;ECACO;25;0;"<a href=https://www.ebi.ac.uk/chembl/assay_report_card/CHEMBL946405/  target=_blank>CHEMBL946405</a>";;;;;;;;;-4.75;;;;;;;;;;;;"Zhang M, Jovic F, Vickers T, Dyck B, Tamiya J, Grey J, Tran JA, Fleck BA, Pick R, Foster AC, Chen C.: Studies on the structure-activity relationship of bicifadine analogs as monoamine transporter inhibitors. Bioorg Med Chem Lett, Volume 18 (13), 2008";ChEMBL
MM476206;MM476206;N=C(N)c1ccc(CC(NC(=O)CNS(=O)(=O)c2ccc3ccccc3c2)C(=O)N2CCCCC2)cc1;;521.64;2.14;445157;;;CHEMBL51173;CACO;ECACO;25;0;"<a href=https://www.ebi.ac.uk/chembl/assay_report_card/CHEMBL655613/  target=_blank>CHEMBL655613</a>";;;;;;;;;-6.4;;;;;;;;;;;;"Rewinkel JB, Lucas H, van Galen PJ, Noach AB, van Dinther TG, Rood AM, Jenneboer AJ, van Boeckel CA.: 1-Aminoisoquinoline as benzamidine isoster in the design and synthesis of orally active thrombin inhibitors. Bioorg Med Chem Lett, Volume 9 (5), 1999";ChEMBL
MM476206;MM476206;N=C(N)c1ccc(CC(NC(=O)CNS(=O)(=O)c2ccc3ccccc3c2)C(=O)N2CCCCC2)cc1;;521.64;2.14;445157;;;CHEMBL51173;CACO;ECACO;25;0;"<a href=https://www.ebi.ac.uk/chembl/assay_report_card/CHEMBL877667/  target=_blank>CHEMBL877667</a>";;;;;;;;;-6.4;;;;;;;;;;;;"Rewinkel JB, Lucas H, Smit MJ, Noach AB, van Dinther TG, Rood AM, Jenneboer AJ, van Boeckel CA.: Design, synthesis and testing of amino-bicycloaryl based orally bioavailable thrombin inhibitors. Bioorg Med Chem Lett, Volume 9 (19), 1999";ChEMBL
MM476212;MM476212;CC(C)CCn1nc(N2CCCC2)c(O)c(C2=NS(=O)(=O)c3cc(NS(C)(=O)=O)ccc3N2)c1=O;QUWPELVBLLLYGL-UHFFFAOYSA-N;524.63;1.34;135566439;;;CHEMBL515012;CACO;ECACO;25;0;"<a href=https://www.ebi.ac.uk/chembl/assay_report_card/CHEMBL983545/  target=_blank>CHEMBL983545</a>";;;;;;;;;-6.49;;;;;;;;;;;;"Dragovich PS, Blazel JK, Ellis DA, Han Q, Kamran R, Kissinger CR, LeBrun LA, Li LS, Murphy DE, Noble M, Patel RA, Ruebsam F, Sergeeva MV, Shah AM, Showalter RE, Tran CV, Tsan M, Webber SE, Kirkovsky L, Zhou Y.: Novel HCV NS5B polymerase inhibitors derived from 4-(1',1'-dioxo-1',4'-dihydro-1'lambda(6)-benzo[1',2',4']thiadiazin-3'-yl)-5-hydroxy-2H-pyridazin-3-ones. Part 5: Exploration of pyridazinones containing 6-amino-substituents. Bioorg Med Chem Lett, Volume 18 (20), 2008";ChEMBL
MM476215;MM476215;CCN(CC)c1nn(CCC(C)C)c(=O)c(C2=NS(=O)(=O)c3cc(NS(C)(=O)=O)ccc3N2)c1O;YXHWNTRXNUQAEO-UHFFFAOYSA-N;526.64;1.77;135923019;;;CHEMBL515943;CACO;ECACO;25;0;"<a href=https://www.ebi.ac.uk/chembl/assay_report_card/CHEMBL983545/  target=_blank>CHEMBL983545</a>";;;;;;;;;-6.52;;;;;;;;;;;;"Dragovich PS, Blazel JK, Ellis DA, Han Q, Kamran R, Kissinger CR, LeBrun LA, Li LS, Murphy DE, Noble M, Patel RA, Ruebsam F, Sergeeva MV, Shah AM, Showalter RE, Tran CV, Tsan M, Webber SE, Kirkovsky L, Zhou Y.: Novel HCV NS5B polymerase inhibitors derived from 4-(1',1'-dioxo-1',4'-dihydro-1'lambda(6)-benzo[1',2',4']thiadiazin-3'-yl)-5-hydroxy-2H-pyridazin-3-ones. Part 5: Exploration of pyridazinones containing 6-amino-substituents. Bioorg Med Chem Lett, Volume 18 (20), 2008";ChEMBL
MM476218;MM476218;CCCN(C)c1nn(CCC(C)C)c(=O)c(C2=NS(=O)(=O)c3cc(NS(C)(=O)=O)ccc3N2)c1O;ZRCJUEIDUCSFEC-UHFFFAOYSA-N;526.64;1.77;135923020;;;CHEMBL518444;CACO;ECACO;25;0;"<a href=https://www.ebi.ac.uk/chembl/assay_report_card/CHEMBL983545/  target=_blank>CHEMBL983545</a>";;;;;;;;;-6.92;;;;;;;;;;;;"Dragovich PS, Blazel JK, Ellis DA, Han Q, Kamran R, Kissinger CR, LeBrun LA, Li LS, Murphy DE, Noble M, Patel RA, Ruebsam F, Sergeeva MV, Shah AM, Showalter RE, Tran CV, Tsan M, Webber SE, Kirkovsky L, Zhou Y.: Novel HCV NS5B polymerase inhibitors derived from 4-(1',1'-dioxo-1',4'-dihydro-1'lambda(6)-benzo[1',2',4']thiadiazin-3'-yl)-5-hydroxy-2H-pyridazin-3-ones. Part 5: Exploration of pyridazinones containing 6-amino-substituents. Bioorg Med Chem Lett, Volume 18 (20), 2008";ChEMBL
MM476219;MM476219;Cc1cc(Cc2ccc(Cl)c(Oc3cc(C#N)cc(C#N)c3)c2F)n[nH]c1=O;KIZKDBLDDHZHRV-UHFFFAOYSA-N;394.79;4;11372828;;;CHEMBL518958;CACO;ECACO;25;0;"<a href=https://www.ebi.ac.uk/chembl/assay_report_card/CHEMBL946736/  target=_blank>CHEMBL946736</a>";;;;;;;;;-4.72;;;;;;;;;;;;"Elworthy TR, Dunn JP, Hogg JH, Lam G, Saito YD, Silva TM, Stefanidis D, Woroniecki W, Zhornisky E, Zhou AS, Klumpp K.: Orally bioavailable prodrugs of a BCS class 2 molecule, an inhibitor of HIV-1 reverse transcriptase. Bioorg Med Chem Lett, Volume 18 (24), 2008";ChEMBL
MM476220;MM476220;OCC(O)C(O)C(O)c1cnc(-c2ncn(Cc3ccccc3)n2)[nH]1;BBNRKROQKWHULU-MGPQQGTHSA-N;345.36;-0.54;135924050;;;CHEMBL519499;CACO;ECACO;25;0;"<a href=https://www.ebi.ac.uk/chembl/assay_report_card/CHEMBL952663/  target=_blank>CHEMBL952663</a>";;;;;;;;;-5.29;;;;;;;;;;;;"Bagdanoff JT, Donoviel MS, Nouraldeen A, Tarver J, Fu Q, Carlsen M, Jessop TC, Zhang H, Hazelwood J, Nguyen H, Baugh SD, Gardyan M, Terranova KM, Barbosa J, Yan J, Bednarz M, Layek S, Courtney LF, Taylor J, Digeorge-Foushee AM, Gopinathan S, Bruce D, Smith T, Moran L, O'Neill E, Kramer J, Lai Z, Kimball SD, Liu Q, Sun W, Yu S, Swaffield J, Wilson A, Main A, Carson KG, Oravecz T, Augeri DJ.: Inhibition of sphingosine-1-phosphate lyase for the treatment of autoimmune disorders. J Med Chem, Volume 52 (13), 2009";ChEMBL
MM476221;MM476221;OCC(O)C(O)C(O)c1cnc(-c2ncc[nH]2)[nH]1;VNNRJKXUNVVHEK-BWZBUEFSSA-N;254.25;-1.45;25050317;;;CHEMBL520987;CACO;ECACO;25;0;"<a href=https://www.ebi.ac.uk/chembl/assay_report_card/CHEMBL952663/  target=_blank>CHEMBL952663</a>";;;;;;;;;-4.59;;;;;;;;;;;;"Bagdanoff JT, Donoviel MS, Nouraldeen A, Tarver J, Fu Q, Carlsen M, Jessop TC, Zhang H, Hazelwood J, Nguyen H, Baugh SD, Gardyan M, Terranova KM, Barbosa J, Yan J, Bednarz M, Layek S, Courtney LF, Taylor J, Digeorge-Foushee AM, Gopinathan S, Bruce D, Smith T, Moran L, O'Neill E, Kramer J, Lai Z, Kimball SD, Liu Q, Sun W, Yu S, Swaffield J, Wilson A, Main A, Carson KG, Oravecz T, Augeri DJ.: Inhibition of sphingosine-1-phosphate lyase for the treatment of autoimmune disorders. J Med Chem, Volume 52 (13), 2009";ChEMBL
Ibuprofen;MM00045;CC(C)Cc1ccc(C(C)C(=O)O)cc1;HEFNNWSXXWATRW-UHFFFAOYSA-N;206.29;3.07;3672;DB01050;;CHEMBL521;CACO;ECACO;25;0;"<a href=https://www.ebi.ac.uk/chembl/assay_report_card/CHEMBL638187/  target=_blank>CHEMBL638187</a>";;;;;;;;;-4.7;;;;;;;;;;;;"Wohnsland F, Faller B.: High-throughput permeability pH profile and high-throughput alkane/water log P with artificial membranes. J Med Chem, Volume 44 (6), 2001";ChEMBL
MM476222;MM476222;CCC(=O)Nc1cc2c(NCc3ccc(OC)c(Cl)c3)ncnc2c(CCO)c1OC;OXGSPQPAZQTQCO-UHFFFAOYSA-N;444.92;3.8;24810195;;;CHEMBL521075;CACO;ECACO;25;0;"<a href=https://www.ebi.ac.uk/chembl/assay_report_card/CHEMBL963854/  target=_blank>CHEMBL963854</a>";;;;;;;;;-4.33;;;;;;;;;;;;"Kim YH, Choi H, Lee J, Hwang IC, Moon SK, Kim SJ, Lee HW, Im DS, Lee SS, Ahn SK, Kim SW, Han CK, Yoon JH, Lee KJ, Choi NS.: Quinazolines as potent and highly selective PDE5 inhibitors as potential therapeutics for male erectile dysfunction. Bioorg Med Chem Lett, Volume 18 (23), 2008";ChEMBL
MM476223;MM476223;c1ccn2cc(-c3ccc(OCCCN4CCCCC4)cc3)cc2c1;KDEPDSHXUKZUKL-UHFFFAOYSA-N;334.46;4.86;9923762;;;CHEMBL52160;CACO;ECACO;25;0;"<a href=https://www.ebi.ac.uk/chembl/assay_report_card/CHEMBL657440/  target=_blank>CHEMBL657440</a>";;;;;;;;;-4.85;;;;;;;;;;;;"Chai W, Breitenbucher JG, Kwok A, Li X, Wong V, Carruthers NI, Lovenberg TW, Mazur C, Wilson SJ, Axe FU, Jones TK.: Non-imidazole heterocyclic histamine H3 receptor antagonists. Bioorg Med Chem Lett, Volume 13 (10), 2003";ChEMBL
MM476224;MM476224;COc1cc(Cl)ccc1CC(C)C(=O)N1CCN(c2c(F)cccc2C(NC(=O)C2CNC2)C(C)C)CC1;XWVUILPYFRWOKA-BCHFMIIMSA-N;545.1;4.05;44577061;;;CHEMBL521715;CACO;ECACO;25;0;"<a href=https://www.ebi.ac.uk/chembl/assay_report_card/CHEMBL963797/  target=_blank>CHEMBL963797</a>";;;;;;;;;-6.7;;;;;;;;;;;;"Chen C, Tucci FC, Jiang W, Tran JA, Fleck BA, Hoare SR, Wen J, Chen T, Johns M, Markison S, Foster AC, Marinkovic D, Chen CW, Arellano M, Harman J, Saunders J, Bozigian H, Marks D.: Pharmacological and pharmacokinetic characterization of 2-piperazine-alpha-isopropyl benzylamine derivatives as melanocortin-4 receptor antagonists. Bioorg Med Chem, Volume 16 (10), 2008";ChEMBL
7-chloro-5-phenyl-1,3-dihydro-1,4-benzodiazepin-2-one;MM00964;O=C1CN=C(c2ccccc2)c2cc(Cl)ccc2N1;AKPLHCDWDRPJGD-UHFFFAOYSA-N;270.72;3.13;2997;;;CHEMBL523;CACO;ECACO;25;0;"<a href=https://www.ebi.ac.uk/chembl/assay_report_card/CHEMBL635760/  target=_blank>CHEMBL635760</a>";;;;;;;;;-4.02;;;;;;;;;;;;"Stenberg P, Norinder U, Luthman K, Artursson P.: Experimental and computational screening models for the prediction of intestinal drug absorption. J Med Chem, Volume 44 (12), 2001";ChEMBL
7-chloro-5-phenyl-1,3-dihydro-1,4-benzodiazepin-2-one;MM00964;O=C1CN=C(c2ccccc2)c2cc(Cl)ccc2N1;AKPLHCDWDRPJGD-UHFFFAOYSA-N;270.72;3.13;2997;;;CHEMBL523;CACO;ECACO;25;0;"<a href=https://www.ebi.ac.uk/chembl/assay_report_card/CHEMBL638024/  target=_blank>CHEMBL638024</a>";;;;;;;;;-3.51;;;;;;;;;;;;"Stenberg P, Norinder U, Luthman K, Artursson P.: Experimental and computational screening models for the prediction of intestinal drug absorption. J Med Chem, Volume 44 (12), 2001";ChEMBL
MM476225;MM476225;COc1cccc2[nH]cc(C(=O)C(=O)N3CCN(C(=O)c4ccccc4)CC3)c12;YONWOVYXYCIVNL-UHFFFAOYSA-N;391.43;2.34;506242;;;CHEMBL523864;CACO;ECACO;25;0;"<a href=https://www.ebi.ac.uk/chembl/assay_report_card/CHEMBL1045523/  target=_blank>CHEMBL1045523</a>";;;;;;;;;-5.37;;;;;;;;;;;;"Wang T, Kadow JF, Zhang Z, Yin Z, Gao Q, Wu D, Parker DD, Yang Z, Zadjura L, Robinson BA, Gong YF, Spicer TP, Blair WS, Shi PY, Yamanaka G, Lin PF, Meanwell NA.: Inhibitors of HIV-1 attachment. Part 4: A study of the effect of piperazine substitution patterns on antiviral potency in the context of indole-based derivatives. Bioorg Med Chem Lett, Volume 19 (17), 2009";ChEMBL
MM476226;MM476226;CNCC(=O)NC(c1cccc(F)c1N1CCN(C(=O)C(C)Cc2ccc(Cl)cc2Cl)CC1)C(C)C;IUHYYYUXPSCOGY-CJAUYULYSA-N;537.51;4.69;44577059;;;CHEMBL524443;CACO;ECACO;25;0;"<a href=https://www.ebi.ac.uk/chembl/assay_report_card/CHEMBL963797/  target=_blank>CHEMBL963797</a>";;;;;;;;;-5.7;;;;;;;;;;;;"Chen C, Tucci FC, Jiang W, Tran JA, Fleck BA, Hoare SR, Wen J, Chen T, Johns M, Markison S, Foster AC, Marinkovic D, Chen CW, Arellano M, Harman J, Saunders J, Bozigian H, Marks D.: Pharmacological and pharmacokinetic characterization of 2-piperazine-alpha-isopropyl benzylamine derivatives as melanocortin-4 receptor antagonists. Bioorg Med Chem, Volume 16 (10), 2008";ChEMBL
MM476234;MM476234;CC(=O)c1nc(C(O)C(O)C(O)CO)cn1C;UXVOVMZBOHGDDV-IWSPIJDZSA-N;244.25;-1.63;44185922;;;CHEMBL529441;CACO;ECACO;25;0;"<a href=https://www.ebi.ac.uk/chembl/assay_report_card/CHEMBL952663/  target=_blank>CHEMBL952663</a>";;;;;;;;;-5.25;;;;;;;;;;;;"Bagdanoff JT, Donoviel MS, Nouraldeen A, Tarver J, Fu Q, Carlsen M, Jessop TC, Zhang H, Hazelwood J, Nguyen H, Baugh SD, Gardyan M, Terranova KM, Barbosa J, Yan J, Bednarz M, Layek S, Courtney LF, Taylor J, Digeorge-Foushee AM, Gopinathan S, Bruce D, Smith T, Moran L, O'Neill E, Kramer J, Lai Z, Kimball SD, Liu Q, Sun W, Yu S, Swaffield J, Wilson A, Main A, Carson KG, Oravecz T, Augeri DJ.: Inhibition of sphingosine-1-phosphate lyase for the treatment of autoimmune disorders. J Med Chem, Volume 52 (13), 2009";ChEMBL
MM476235;MM476235;CC(C)n1c(=O)c(C(=O)N[C@H]2C[C@H]3CC[C@@H](C2)N3C[C@@H](O)CN2CCN(S(C)(=O)=O)CC2)cc2ccccc21;ABRIRNSRFVVIJK-KIHHCIJBSA-N;559.73;1.25;;;;;CACO;ECACO;25;0;"<a href=https://www.ebi.ac.uk/chembl/assay_report_card/CHEMBL1052562/  target=_blank>CHEMBL1052562</a>";;;;;;;;;-4.85;;;;;;;;;;;;"McKinnell RM, Armstrong SR, Beattie DT, Choi SK, Fatheree PR, Gendron RA, Goldblum A, Humphrey PP, Long DD, Marquess DG, Shaw JP, Smith JA, Turner SD, Vickery RG.: A multivalent approach to the design and discovery of orally efficacious 5-HT4 receptor agonists. J Med Chem, Volume 52 (17), 2009";ChEMBL
MM476236;MM476236;CCOC(=O)N1CCN(CCCCCCCN2C3CCC2CC(NC(=O)c2cc4ccccc4n(C(C)C)c2=O)C3)CC1;ABBXOBHUMXCOGM-PKQPGRETSA-N;593.81;5.03;44248193;;;CHEMBL538956;CACO;ECACO;25;0;"<a href=https://www.ebi.ac.uk/chembl/assay_report_card/CHEMBL1052562/  target=_blank>CHEMBL1052562</a>";;;;;;;;;-4.85;;;;;;;;;;;;"McKinnell RM, Armstrong SR, Beattie DT, Choi SK, Fatheree PR, Gendron RA, Goldblum A, Humphrey PP, Long DD, Marquess DG, Shaw JP, Smith JA, Turner SD, Vickery RG.: A multivalent approach to the design and discovery of orally efficacious 5-HT4 receptor agonists. J Med Chem, Volume 52 (17), 2009";ChEMBL
MM476237;MM476237;COc1ccccc1COCCCOc1ccc(N2C(=O)CNC[C@@H]2COCc2cccnc2)cc1;WPYDZJMOARSIDS-RUZDIDTESA-N;491.59;3.6;;;;;CACO;ECACO;25;0;"<a href=https://www.ebi.ac.uk/chembl/assay_report_card/CHEMBL873566/  target=_blank>CHEMBL873566</a>";;;;;;;;;-4.89;;;;;;;;;;;;"Powell NA, Clay EH, Holsworth DD, Bryant JW, Ryan MJ, Jalaie M, Edmunds JJ.: Benzyl ether structure-activity relationships in a series of ketopiperazine-based renin inhibitors. Bioorg Med Chem Lett, Volume 15 (21), 2005";ChEMBL
MM476238;MM476238;CC(C)n1c(=O)c(C(=O)NC2CC3CCC(C2)N3CCCCCCCN2CCN(c3ccccc3)CC2)cc2ccccc21;OTWJCQNGXQUBEK-IFBCEJQISA-N;597.85;6.08;44248437;;;CHEMBL539651;CACO;ECACO;25;0;"<a href=https://www.ebi.ac.uk/chembl/assay_report_card/CHEMBL1052562/  target=_blank>CHEMBL1052562</a>";;;;;;;;;-4.7;;;;;;;;;;;;"McKinnell RM, Armstrong SR, Beattie DT, Choi SK, Fatheree PR, Gendron RA, Goldblum A, Humphrey PP, Long DD, Marquess DG, Shaw JP, Smith JA, Turner SD, Vickery RG.: A multivalent approach to the design and discovery of orally efficacious 5-HT4 receptor agonists. J Med Chem, Volume 52 (17), 2009";ChEMBL
MM476239;MM476239;CC(C)n1c(=O)c(C(=O)NC2CC3CCC(C2)N3CCCCCCCN2CCCC2C(N)=O)cc2ccccc21;WYNXEKYLFMUSEO-GFQWBHFJSA-N;549.76;4.21;44248189;;;CHEMBL539713;CACO;ECACO;25;0;"<a href=https://www.ebi.ac.uk/chembl/assay_report_card/CHEMBL1052562/  target=_blank>CHEMBL1052562</a>";;;;;;;;;-5.05;;;;;;;;;;;;"McKinnell RM, Armstrong SR, Beattie DT, Choi SK, Fatheree PR, Gendron RA, Goldblum A, Humphrey PP, Long DD, Marquess DG, Shaw JP, Smith JA, Turner SD, Vickery RG.: A multivalent approach to the design and discovery of orally efficacious 5-HT4 receptor agonists. J Med Chem, Volume 52 (17), 2009";ChEMBL
MM476240;MM476240;CC(NC(=O)c1cc(NC(=O)CCC(O)(CCc2ccccc2)C(=O)NC(C(=O)Nc2ccccc2)C(C)C)cc(N(C)S(C)(=O)=O)c1)c1ccccc1;ABXPXXXDZPDMFT-BIKMQQNJSA-N;755.94;5.44;44517765;;;CHEMBL540414;CACO;ECACO;25;0;"<a href=https://www.ebi.ac.uk/chembl/assay_report_card/CHEMBL1059108/  target=_blank>CHEMBL1059108</a>";;;;;;;;;-5.92;;;;;;;;;;;;"Wångsell F, Russo F, Sävmarker J, Rosenquist A, Samuelsson B, Larhed M.: Design and synthesis of BACE-1 inhibitors utilizing a tertiary hydroxyl motif as the transition state mimic. Bioorg Med Chem Lett, Volume 19 (16), 2009";ChEMBL
MM476241;MM476241;CCOC(=O)N1CCN(CCCN2C3CCC2CC(NC(=O)c2cc4ccccc4n(C(C)C)c2=O)C3)CC1;YFJVXDKQWHEAPD-QEIWAGNOSA-N;537.71;3.47;44248191;;;CHEMBL540980;CACO;ECACO;25;0;"<a href=https://www.ebi.ac.uk/chembl/assay_report_card/CHEMBL1052562/  target=_blank>CHEMBL1052562</a>";;;;;;;;;-4.51;;;;;;;;;;;;"McKinnell RM, Armstrong SR, Beattie DT, Choi SK, Fatheree PR, Gendron RA, Goldblum A, Humphrey PP, Long DD, Marquess DG, Shaw JP, Smith JA, Turner SD, Vickery RG.: A multivalent approach to the design and discovery of orally efficacious 5-HT4 receptor agonists. J Med Chem, Volume 52 (17), 2009";ChEMBL
MM476242;MM476242;CC(C)n1c(=O)c(C(=O)NC2CC3CCC(C2)N3CCCCCCCN2CCC(CNS(C)(=O)=O)CC2)cc2ccccc21;UTTJQYGVCBXTDB-RLPLKTQASA-N;627.9;4.52;44248922;;;CHEMBL540981;CACO;ECACO;25;0;"<a href=https://www.ebi.ac.uk/chembl/assay_report_card/CHEMBL1052562/  target=_blank>CHEMBL1052562</a>";;;;;;;;;-5.7;;;;;;;;;;;;"McKinnell RM, Armstrong SR, Beattie DT, Choi SK, Fatheree PR, Gendron RA, Goldblum A, Humphrey PP, Long DD, Marquess DG, Shaw JP, Smith JA, Turner SD, Vickery RG.: A multivalent approach to the design and discovery of orally efficacious 5-HT4 receptor agonists. J Med Chem, Volume 52 (17), 2009";ChEMBL
MM476243;MM476243;CC(C)n1c(=O)c(C(=O)N[C@H]2C[C@H]3CC[C@@H](C2)N3C[C@H](O)CN2CCN(S(C)(=O)=O)CC2)cc2ccccc21;ABRIRNSRFVVIJK-UEQSERJNSA-N;559.73;1.25;;;;;CACO;ECACO;25;0;"<a href=https://www.ebi.ac.uk/chembl/assay_report_card/CHEMBL1052562/  target=_blank>CHEMBL1052562</a>";;;;;;;;;-4.7;;;;;;;;;;;;"McKinnell RM, Armstrong SR, Beattie DT, Choi SK, Fatheree PR, Gendron RA, Goldblum A, Humphrey PP, Long DD, Marquess DG, Shaw JP, Smith JA, Turner SD, Vickery RG.: A multivalent approach to the design and discovery of orally efficacious 5-HT4 receptor agonists. J Med Chem, Volume 52 (17), 2009";ChEMBL
Oxprenolol;MM00289;C=CCOc1ccccc1OCC(O)CNC(C)C;CEMAWMOMDPGJMB-UHFFFAOYSA-N;265.35;1.99;4631;DB01580;;CHEMBL546;CACO;ECACO;25;0;"<a href=https://www.ebi.ac.uk/chembl/assay_report_card/CHEMBL635760/  target=_blank>CHEMBL635760</a>";;;;;;;;;-4.21;;;;;;;;;;;;"Stenberg P, Norinder U, Luthman K, Artursson P.: Experimental and computational screening models for the prediction of intestinal drug absorption. J Med Chem, Volume 44 (12), 2001";ChEMBL
Oxprenolol;MM00289;C=CCOc1ccccc1OCC(O)CNC(C)C;CEMAWMOMDPGJMB-UHFFFAOYSA-N;265.35;1.99;4631;DB01580;;CHEMBL546;CACO;ECACO;25;0;"<a href=https://www.ebi.ac.uk/chembl/assay_report_card/CHEMBL638024/  target=_blank>CHEMBL638024</a>";;;;;;;;;-3.92;;;;;;;;;;;;"Stenberg P, Norinder U, Luthman K, Artursson P.: Experimental and computational screening models for the prediction of intestinal drug absorption. J Med Chem, Volume 44 (12), 2001";ChEMBL
MM476244;MM476244;CC(C)n1c(=O)c(C(=O)NC2CC3CCC(C2)N3CCCN2CCN(S(C)(=O)=O)CC2)cc2ccccc21;GIGBLIZJFWVMDM-BKFWDETESA-N;543.73;2.27;44248076;;;CHEMBL549449;CACO;ECACO;25;0;"<a href=https://www.ebi.ac.uk/chembl/assay_report_card/CHEMBL1052562/  target=_blank>CHEMBL1052562</a>";;;;;;;;;-4.7;;;;;;;;;;;;"McKinnell RM, Armstrong SR, Beattie DT, Choi SK, Fatheree PR, Gendron RA, Goldblum A, Humphrey PP, Long DD, Marquess DG, Shaw JP, Smith JA, Turner SD, Vickery RG.: A multivalent approach to the design and discovery of orally efficacious 5-HT4 receptor agonists. J Med Chem, Volume 52 (17), 2009";ChEMBL
MM476245;MM476245;COCCCn1c(CN2C(=O)C(=NOC)c3ccccc32)nc2ccccc21;IKJABHMXDXQNBR-BSYVCWPDSA-N;378.43;2.97;45270211;;;CHEMBL549588;CACO;ECACO;25;0;"<a href=https://www.ebi.ac.uk/chembl/assay_report_card/CHEMBL1054839/  target=_blank>CHEMBL1054839</a>";;;;;;;;;-4.73;;;;;;;;;;;;"Sin N, Venables BL, Combrink KD, Gulgeze HB, Yu KL, Civiello RL, Thuring J, Wang XA, Yang Z, Zadjura L, Marino A, Kadow KF, Cianci CW, Clarke J, Genovesi EV, Medina I, Lamb L, Krystal M, Meanwell NA.: Respiratory syncytial virus fusion inhibitors. Part 7: structure-activity relationships associated with a series of isatin oximes that demonstrate antiviral activity in vivo. Bioorg Med Chem Lett, Volume 19 (16), 2009";ChEMBL
MM476246;MM476246;CC(C)n1c(=O)c(C(=O)NC2CC3CCC(C2)N3CCCN2CCOCC2)cc2ccccc21;DFERKDOBDPAYJI-NUNAXRQHSA-N;466.63;3.03;44248195;;;CHEMBL549650;CACO;ECACO;25;0;"<a href=https://www.ebi.ac.uk/chembl/assay_report_card/CHEMBL1052562/  target=_blank>CHEMBL1052562</a>";;;;;;;;;-4.66;;;;;;;;;;;;"McKinnell RM, Armstrong SR, Beattie DT, Choi SK, Fatheree PR, Gendron RA, Goldblum A, Humphrey PP, Long DD, Marquess DG, Shaw JP, Smith JA, Turner SD, Vickery RG.: A multivalent approach to the design and discovery of orally efficacious 5-HT4 receptor agonists. J Med Chem, Volume 52 (17), 2009";ChEMBL
MM476247;MM476247;CS(=O)(=O)CCCn1c(CN2C(=O)/C(=N/OCCF)c3ccncc32)nc2ccccc21;NFTZYCXHPRZPHC-LKUDQCMESA-N;459.5;2.1;;;;;CACO;ECACO;25;0;"<a href=https://www.ebi.ac.uk/chembl/assay_report_card/CHEMBL1054839/  target=_blank>CHEMBL1054839</a>";;;;;;;;;-6;;;;;;;;;;;;"Sin N, Venables BL, Combrink KD, Gulgeze HB, Yu KL, Civiello RL, Thuring J, Wang XA, Yang Z, Zadjura L, Marino A, Kadow KF, Cianci CW, Clarke J, Genovesi EV, Medina I, Lamb L, Krystal M, Meanwell NA.: Respiratory syncytial virus fusion inhibitors. Part 7: structure-activity relationships associated with a series of isatin oximes that demonstrate antiviral activity in vivo. Bioorg Med Chem Lett, Volume 19 (16), 2009";ChEMBL
MM476249;MM476249;CC(C)n1c(=O)c(C(=O)NC2CC3CCC(C2)N3CCCCCCCN2CCCCC2)cc2ccccc21;JREDAYCXSVWBIJ-OUOZDZGXSA-N;520.76;5.74;44248921;;;CHEMBL551013;CACO;ECACO;25;0;"<a href=https://www.ebi.ac.uk/chembl/assay_report_card/CHEMBL1052562/  target=_blank>CHEMBL1052562</a>";;;;;;;;;-4.64;;;;;;;;;;;;"McKinnell RM, Armstrong SR, Beattie DT, Choi SK, Fatheree PR, Gendron RA, Goldblum A, Humphrey PP, Long DD, Marquess DG, Shaw JP, Smith JA, Turner SD, Vickery RG.: A multivalent approach to the design and discovery of orally efficacious 5-HT4 receptor agonists. J Med Chem, Volume 52 (17), 2009";ChEMBL
MM476250;MM476250;O=C1C(=NOCCF)c2ccncc2N1Cc1nc2ccccc2n1CCCCO;QKRWDEGUIHPLMZ-LKUDQCMESA-N;411.44;2.44;44517736;;;CHEMBL551073;CACO;ECACO;25;0;"<a href=https://www.ebi.ac.uk/chembl/assay_report_card/CHEMBL1054839/  target=_blank>CHEMBL1054839</a>";;;;;;;;;-5.28;;;;;;;;;;;;"Sin N, Venables BL, Combrink KD, Gulgeze HB, Yu KL, Civiello RL, Thuring J, Wang XA, Yang Z, Zadjura L, Marino A, Kadow KF, Cianci CW, Clarke J, Genovesi EV, Medina I, Lamb L, Krystal M, Meanwell NA.: Respiratory syncytial virus fusion inhibitors. Part 7: structure-activity relationships associated with a series of isatin oximes that demonstrate antiviral activity in vivo. Bioorg Med Chem Lett, Volume 19 (16), 2009";ChEMBL
MM476251;MM476251;CS(=O)(=O)c1ccc(CON=C2C(=O)N(Cc3nc4ccccc4n3CCCCO)c3ccccc32)cc1;XVYAYXUMMBBMAP-KDJFERLWSA-N;532.62;3.68;23516993;;;CHEMBL551336;CACO;ECACO;25;0;"<a href=https://www.ebi.ac.uk/chembl/assay_report_card/CHEMBL1054839/  target=_blank>CHEMBL1054839</a>";;;;;;;;;-4.82;;;;;;;;;;;;"Sin N, Venables BL, Combrink KD, Gulgeze HB, Yu KL, Civiello RL, Thuring J, Wang XA, Yang Z, Zadjura L, Marino A, Kadow KF, Cianci CW, Clarke J, Genovesi EV, Medina I, Lamb L, Krystal M, Meanwell NA.: Respiratory syncytial virus fusion inhibitors. Part 7: structure-activity relationships associated with a series of isatin oximes that demonstrate antiviral activity in vivo. Bioorg Med Chem Lett, Volume 19 (16), 2009";ChEMBL
MM476254;MM476254;COCCCn1c(CN2C(=O)C(=NOCC(N)=O)c3ccccc32)nc2ccccc21;KNXMSZSFJFSEJJ-NJNXFGOHSA-N;421.46;1.83;45270998;;;CHEMBL551674;CACO;ECACO;25;0;"<a href=https://www.ebi.ac.uk/chembl/assay_report_card/CHEMBL1054839/  target=_blank>CHEMBL1054839</a>";;;;;;;;;-5.82;;;;;;;;;;;;"Sin N, Venables BL, Combrink KD, Gulgeze HB, Yu KL, Civiello RL, Thuring J, Wang XA, Yang Z, Zadjura L, Marino A, Kadow KF, Cianci CW, Clarke J, Genovesi EV, Medina I, Lamb L, Krystal M, Meanwell NA.: Respiratory syncytial virus fusion inhibitors. Part 7: structure-activity relationships associated with a series of isatin oximes that demonstrate antiviral activity in vivo. Bioorg Med Chem Lett, Volume 19 (16), 2009";ChEMBL
MM476255;MM476255;O=C(C=C1CCN(C(=O)c2ccccc2O)CC1)NC1CCN(Cc2ccc3cc(F)ccc3c2)C1;TVBOHVNCFNQWSW-RUZDIDTESA-N;487.58;4.24;44512617;;;CHEMBL551735;CACO;ECACO;25;0;"<a href=https://www.ebi.ac.uk/chembl/assay_report_card/CHEMBL1055691/  target=_blank>CHEMBL1055691</a>";;;;;;;;;-5.4;;;;;;;;;;;;"Sato I, Morihira K, Inami H, Kubota H, Morokata T, Suzuki K, Ohno K, Iura Y, Nitta A, Imaoka T, Takahashi T, Takeuchi M, Ohta M, Tsukamoto S.: Synthesis, biological evaluation, and metabolic stability of acrylamide derivatives as novel CCR3 antagonists. Bioorg Med Chem, Volume 17 (16), 2009";ChEMBL
MM476256;MM476256;O=C1CCCCN1C1CCN(c2nc3ccccc3n2Cc2ccc(F)cc2)CC1;LUSFVKKEBIMJTI-UHFFFAOYSA-N;406.51;4.21;45270339;;;CHEMBL552026;CACO;ECACO;25;0;"<a href=https://www.ebi.ac.uk/chembl/assay_report_card/CHEMBL1056695/  target=_blank>CHEMBL1056695</a>";;;;;;;;;-4.91;;;;;;;;;;;;"Coon T, Moree WJ, Li B, Yu J, Zamani-Kord S, Malany S, Santos MA, Hernandez LM, Petroski RE, Sun A, Wen J, Sullivan S, Haelewyn J, Hedrick M, Hoare SJ, Bradbury MJ, Crowe PD, Beaton G.: Brain-penetrating 2-aminobenzimidazole H(1)-antihistamines for the treatment of insomnia. Bioorg Med Chem Lett, Volume 19 (15), 2009";ChEMBL
MM476260;MM476260;COCCCn1c(CN2C(=O)C(=NOCc3ccncc3)c3ccccc32)nc2ccccc21;FUDIJDSZYDLKAI-XLVZBRSZSA-N;455.52;3.94;45271010;;;CHEMBL552275;CACO;ECACO;25;0;"<a href=https://www.ebi.ac.uk/chembl/assay_report_card/CHEMBL1054839/  target=_blank>CHEMBL1054839</a>";;;;;;;;;-4.67;;;;;;;;;;;;"Sin N, Venables BL, Combrink KD, Gulgeze HB, Yu KL, Civiello RL, Thuring J, Wang XA, Yang Z, Zadjura L, Marino A, Kadow KF, Cianci CW, Clarke J, Genovesi EV, Medina I, Lamb L, Krystal M, Meanwell NA.: Respiratory syncytial virus fusion inhibitors. Part 7: structure-activity relationships associated with a series of isatin oximes that demonstrate antiviral activity in vivo. Bioorg Med Chem Lett, Volume 19 (16), 2009";ChEMBL
MM476262;MM476262;CON=C1C(=O)N(Cc2nc3ccccc3n2CCCCF)c2cnccc21;UMHGEVBTISKYKG-LYBHJNIJSA-N;381.41;3.08;45270201;;;CHEMBL552416;CACO;ECACO;25;0;"<a href=https://www.ebi.ac.uk/chembl/assay_report_card/CHEMBL1054839/  target=_blank>CHEMBL1054839</a>";;;;;;;;;-4.89;;;;;;;;;;;;"Sin N, Venables BL, Combrink KD, Gulgeze HB, Yu KL, Civiello RL, Thuring J, Wang XA, Yang Z, Zadjura L, Marino A, Kadow KF, Cianci CW, Clarke J, Genovesi EV, Medina I, Lamb L, Krystal M, Meanwell NA.: Respiratory syncytial virus fusion inhibitors. Part 7: structure-activity relationships associated with a series of isatin oximes that demonstrate antiviral activity in vivo. Bioorg Med Chem Lett, Volume 19 (16), 2009";ChEMBL
MM476264;MM476264;CC(C)n1c(=O)c(C(=O)NC2CC3CCC(C2)N3CCCCCCCN(C)CCCN(C)S(C)(=O)=O)cc2ccccc21;OZOUMOAFNFHRMX-PKQPGRETSA-N;615.89;4.47;44248319;;;CHEMBL553404;CACO;ECACO;25;0;"<a href=https://www.ebi.ac.uk/chembl/assay_report_card/CHEMBL1052562/  target=_blank>CHEMBL1052562</a>";;;;;;;;;-5.52;;;;;;;;;;;;"McKinnell RM, Armstrong SR, Beattie DT, Choi SK, Fatheree PR, Gendron RA, Goldblum A, Humphrey PP, Long DD, Marquess DG, Shaw JP, Smith JA, Turner SD, Vickery RG.: A multivalent approach to the design and discovery of orally efficacious 5-HT4 receptor agonists. J Med Chem, Volume 52 (17), 2009";ChEMBL
MM476265;MM476265;CC(C)n1c(=O)c(C(=O)NC2CC3CCC(C2)N3CC(O)CN2CCN(S(C)(=O)=O)CC2)cc2ccccc21;ABRIRNSRFVVIJK-ACDIJKPMSA-N;559.73;1.25;11519716;;;CHEMBL553405;CACO;ECACO;25;0;"<a href=https://www.ebi.ac.uk/chembl/assay_report_card/CHEMBL1052562/  target=_blank>CHEMBL1052562</a>";;;;;;;;;-4.72;;;;;;;;;;;;"McKinnell RM, Armstrong SR, Beattie DT, Choi SK, Fatheree PR, Gendron RA, Goldblum A, Humphrey PP, Long DD, Marquess DG, Shaw JP, Smith JA, Turner SD, Vickery RG.: A multivalent approach to the design and discovery of orally efficacious 5-HT4 receptor agonists. J Med Chem, Volume 52 (17), 2009";ChEMBL
MM476266;MM476266;CC(C)n1c(=O)c(C(=O)NC2CC3CCC(C2)N3CCCN2CCN(c3ccccc3)CC2)cc2ccccc21;YELQSMXPCPMVON-RHKQRFKBSA-N;541.74;4.52;44248321;;;CHEMBL555222;CACO;ECACO;25;0;"<a href=https://www.ebi.ac.uk/chembl/assay_report_card/CHEMBL1052562/  target=_blank>CHEMBL1052562</a>";;;;;;;;;-4.66;;;;;;;;;;;;"McKinnell RM, Armstrong SR, Beattie DT, Choi SK, Fatheree PR, Gendron RA, Goldblum A, Humphrey PP, Long DD, Marquess DG, Shaw JP, Smith JA, Turner SD, Vickery RG.: A multivalent approach to the design and discovery of orally efficacious 5-HT4 receptor agonists. J Med Chem, Volume 52 (17), 2009";ChEMBL
MM476267;MM476267;CC(C)n1c(=O)c(C(=O)NC2CC3CCC(C2)N3CCCN2CCC(CNS(C)(=O)=O)CC2)cc2ccccc21;VFYJTXFWAIHDFH-OOSCYNTBSA-N;571.79;2.96;44248680;;;CHEMBL555223;CACO;ECACO;25;0;"<a href=https://www.ebi.ac.uk/chembl/assay_report_card/CHEMBL1052562/  target=_blank>CHEMBL1052562</a>";;;;;;;;;-5.52;;;;;;;;;;;;"McKinnell RM, Armstrong SR, Beattie DT, Choi SK, Fatheree PR, Gendron RA, Goldblum A, Humphrey PP, Long DD, Marquess DG, Shaw JP, Smith JA, Turner SD, Vickery RG.: A multivalent approach to the design and discovery of orally efficacious 5-HT4 receptor agonists. J Med Chem, Volume 52 (17), 2009";ChEMBL
MM476268;MM476268;CCCCOC(=O)N1CCN(C(=O)C(CCC(=O)O)NC(=O)c2cc(OCCOC)cc(-c3ccccc3)n2)CC1;PDNVGDXATCGRSB-QHCPKHFHSA-N;570.64;2.82;45272036;;;CHEMBL555342;CACO;ECACO;25;0;"<a href=https://www.ebi.ac.uk/chembl/assay_report_card/CHEMBL1064900/  target=_blank>CHEMBL1064900</a>";;;;;;;;;-5.96;;;;;;;;;;;;"Parlow JJ, Burney MW, Case BL, Girard TJ, Hall KA, Harris PK, Hiebsch RR, Huff RM, Lachance RM, Mischke DA, Rapp SR, Woerndle RS, Ennis MD.: Piperazinyl glutamate pyridines as potent orally bioavailable P2Y12 antagonists for inhibition of platelet aggregation. J Med Chem, Volume 53 (5), 2010";ChEMBL
MM476269;MM476269;CC(C)n1c(=O)c(C(=O)NC2CC3CCC(C2)N3CCCCCCCN2CCN(S(C)(=O)=O)CC2)cc2ccccc21;XJYKGQSAARGRMU-OUOZDZGXSA-N;599.84;3.84;44248679;;;CHEMBL555693;CACO;ECACO;25;0;"<a href=https://www.ebi.ac.uk/chembl/assay_report_card/CHEMBL1052562/  target=_blank>CHEMBL1052562</a>";;;;;;;;;-4.66;;;;;;;;;;;;"McKinnell RM, Armstrong SR, Beattie DT, Choi SK, Fatheree PR, Gendron RA, Goldblum A, Humphrey PP, Long DD, Marquess DG, Shaw JP, Smith JA, Turner SD, Vickery RG.: A multivalent approach to the design and discovery of orally efficacious 5-HT4 receptor agonists. J Med Chem, Volume 52 (17), 2009";ChEMBL
MM476270;MM476270;N#CCCCn1c(CN2C(=O)C(=NOCC(N)=O)c3ccccc32)nc2ccccc21;YVSKSGGSFYJMAZ-YYADALCUSA-N;416.44;2.09;45271852;;;CHEMBL556086;CACO;ECACO;25;0;"<a href=https://www.ebi.ac.uk/chembl/assay_report_card/CHEMBL1054839/  target=_blank>CHEMBL1054839</a>";;;;;;;;;-5.52;;;;;;;;;;;;"Sin N, Venables BL, Combrink KD, Gulgeze HB, Yu KL, Civiello RL, Thuring J, Wang XA, Yang Z, Zadjura L, Marino A, Kadow KF, Cianci CW, Clarke J, Genovesi EV, Medina I, Lamb L, Krystal M, Meanwell NA.: Respiratory syncytial virus fusion inhibitors. Part 7: structure-activity relationships associated with a series of isatin oximes that demonstrate antiviral activity in vivo. Bioorg Med Chem Lett, Volume 19 (16), 2009";ChEMBL
MM476271;MM476271;CC(=O)OCCCCn1c(Cn2c(O)c(N=O)c3cccnc32)nc2ccccc21;UWJYOOGCMPSHPZ-LYBHJNIJSA-N;407.43;2.5;135730693;;;CHEMBL556646;CACO;ECACO;25;0;"<a href=https://www.ebi.ac.uk/chembl/assay_report_card/CHEMBL1054839/  target=_blank>CHEMBL1054839</a>";;;;;;;;;-5.92;;;;;;;;;;;;"Sin N, Venables BL, Combrink KD, Gulgeze HB, Yu KL, Civiello RL, Thuring J, Wang XA, Yang Z, Zadjura L, Marino A, Kadow KF, Cianci CW, Clarke J, Genovesi EV, Medina I, Lamb L, Krystal M, Meanwell NA.: Respiratory syncytial virus fusion inhibitors. Part 7: structure-activity relationships associated with a series of isatin oximes that demonstrate antiviral activity in vivo. Bioorg Med Chem Lett, Volume 19 (16), 2009";ChEMBL
MM476273;MM476273;CON=C1C(=O)N(Cc2nc3ccccc3n2CCCCO)c2cnccc21;OKWZYYAHUWOXNW-FCDQGJHFSA-N;379.42;2.1;23517120;;;CHEMBL557322;CACO;ECACO;25;0;"<a href=https://www.ebi.ac.uk/chembl/assay_report_card/CHEMBL1054839/  target=_blank>CHEMBL1054839</a>";;;;;;;;;-5.01;;;;;;;;;;;;"Sin N, Venables BL, Combrink KD, Gulgeze HB, Yu KL, Civiello RL, Thuring J, Wang XA, Yang Z, Zadjura L, Marino A, Kadow KF, Cianci CW, Clarke J, Genovesi EV, Medina I, Lamb L, Krystal M, Meanwell NA.: Respiratory syncytial virus fusion inhibitors. Part 7: structure-activity relationships associated with a series of isatin oximes that demonstrate antiviral activity in vivo. Bioorg Med Chem Lett, Volume 19 (16), 2009";ChEMBL
MM476274;MM476274;COc1ccc(Nc2nc3cc(C(N)=O)ccc3n2Cc2ccccc2C(F)(F)F)cc1;IJOLYFZBLJPKPI-UHFFFAOYSA-N;440.43;4.95;25165471;;;CHEMBL557885;CACO;ECACO;25;0;"<a href=https://www.ebi.ac.uk/chembl/assay_report_card/CHEMBL1035569/  target=_blank>CHEMBL1035569</a>";;;;;;;;;-4.17;;;;;;;;;;;;"Lahue BR, Ma Y, Shipps GW, Seghezzi W, Herbst R.: Substituted benzimidazoles: A novel chemotype for small molecule hKSP inhibitors. Bioorg Med Chem Lett, Volume 19 (13), 2009";ChEMBL
MM476278;MM476278;CC(C)n1c(=O)c(C(=O)NC2CC3CCC(C2)N3CCCN2CCCC2C(N)=O)cc2ccccc21;HIGFKWYFHAAARQ-WTEVXDJOSA-N;493.65;2.65;44248080;;;CHEMBL558855;CACO;ECACO;25;0;"<a href=https://www.ebi.ac.uk/chembl/assay_report_card/CHEMBL1052562/  target=_blank>CHEMBL1052562</a>";;;;;;;;;-5.7;;;;;;;;;;;;"McKinnell RM, Armstrong SR, Beattie DT, Choi SK, Fatheree PR, Gendron RA, Goldblum A, Humphrey PP, Long DD, Marquess DG, Shaw JP, Smith JA, Turner SD, Vickery RG.: A multivalent approach to the design and discovery of orally efficacious 5-HT4 receptor agonists. J Med Chem, Volume 52 (17), 2009";ChEMBL
MM476280;MM476280;CC(C)n1c(=O)c(C(=O)NC2CC3CCC(C2)N3CCCN(C)CCCN(C)S(C)(=O)=O)cc2ccccc21;GSEYLMTUUMJITR-QEIWAGNOSA-N;559.78;2.91;44248317;;;CHEMBL559050;CACO;ECACO;25;0;"<a href=https://www.ebi.ac.uk/chembl/assay_report_card/CHEMBL1052562/  target=_blank>CHEMBL1052562</a>";;;;;;;;;-5.4;;;;;;;;;;;;"McKinnell RM, Armstrong SR, Beattie DT, Choi SK, Fatheree PR, Gendron RA, Goldblum A, Humphrey PP, Long DD, Marquess DG, Shaw JP, Smith JA, Turner SD, Vickery RG.: A multivalent approach to the design and discovery of orally efficacious 5-HT4 receptor agonists. J Med Chem, Volume 52 (17), 2009";ChEMBL
MM476282;MM476282;CC(C)n1c(=O)c(C(=O)NC2CC3CCC(C2)N3CCCCCCCN2CCOCC2)cc2ccccc21;BLFYXJBXIJKCKD-LGKQTMLJSA-N;522.73;4.59;44248315;;;CHEMBL559322;CACO;ECACO;25;0;"<a href=https://www.ebi.ac.uk/chembl/assay_report_card/CHEMBL1052562/  target=_blank>CHEMBL1052562</a>";;;;;;;;;-4.55;;;;;;;;;;;;"McKinnell RM, Armstrong SR, Beattie DT, Choi SK, Fatheree PR, Gendron RA, Goldblum A, Humphrey PP, Long DD, Marquess DG, Shaw JP, Smith JA, Turner SD, Vickery RG.: A multivalent approach to the design and discovery of orally efficacious 5-HT4 receptor agonists. J Med Chem, Volume 52 (17), 2009";ChEMBL
MM476286;MM476286;Cn1nc(C(N)=O)c2c1-c1nc(Nc3ccccc3)ncc1CC2;UTHWBIPHRYUJSU-UHFFFAOYSA-N;320.36;1.82;44236351;;;CHEMBL559845;CACO;ECACO;25;0;"<a href=https://www.ebi.ac.uk/chembl/assay_report_card/CHEMBL1109147/  target=_blank>CHEMBL1109147</a>";;;;;;;;;-4.23;;;;;;;;;;;;"Beria I, Ballinari D, Bertrand JA, Borghi D, Bossi RT, Brasca MG, Cappella P, Cappella P, Caruso M, Ceccarelli W, Ciavolella A, Cristiani C, Croci V, De Ponti A, Fachin G, Ferguson RD, Lansen J, Moll JK, Pesenti E, Posteri H, Perego R, Rocchetti M, Storici P, Volpi D, Valsasina B.: Identification of 4,5-dihydro-1H-pyrazolo[4,3-h]quinazoline derivatives as a new class of orally and selective Polo-like kinase 1 inhibitors. J Med Chem, Volume 53 (9), 2010";ChEMBL
MM476288;MM476288;COCCCn1c(CN2C(=O)C(=NOCC(F)(F)F)c3ccccc32)nc2ccccc21;USUGQSNDWDLBSP-NHFJDJAPSA-N;446.43;3.9;45269394;;;CHEMBL560199;CACO;ECACO;25;0;"<a href=https://www.ebi.ac.uk/chembl/assay_report_card/CHEMBL1054839/  target=_blank>CHEMBL1054839</a>";;;;;;;;;-4.19;;;;;;;;;;;;"Sin N, Venables BL, Combrink KD, Gulgeze HB, Yu KL, Civiello RL, Thuring J, Wang XA, Yang Z, Zadjura L, Marino A, Kadow KF, Cianci CW, Clarke J, Genovesi EV, Medina I, Lamb L, Krystal M, Meanwell NA.: Respiratory syncytial virus fusion inhibitors. Part 7: structure-activity relationships associated with a series of isatin oximes that demonstrate antiviral activity in vivo. Bioorg Med Chem Lett, Volume 19 (16), 2009";ChEMBL
MM476290;MM476290;O=C1C(=NOCCF)c2ccncc2N1Cc1nc2ccccc2n1CCCCF;VUYIZMZQZDXUBI-LHLOQNFPSA-N;413.43;3.42;45267650;;;CHEMBL560478;CACO;ECACO;25;0;"<a href=https://www.ebi.ac.uk/chembl/assay_report_card/CHEMBL1054839/  target=_blank>CHEMBL1054839</a>";;;;;;;;;-4.8;;;;;;;;;;;;"Sin N, Venables BL, Combrink KD, Gulgeze HB, Yu KL, Civiello RL, Thuring J, Wang XA, Yang Z, Zadjura L, Marino A, Kadow KF, Cianci CW, Clarke J, Genovesi EV, Medina I, Lamb L, Krystal M, Meanwell NA.: Respiratory syncytial virus fusion inhibitors. Part 7: structure-activity relationships associated with a series of isatin oximes that demonstrate antiviral activity in vivo. Bioorg Med Chem Lett, Volume 19 (16), 2009";ChEMBL
MM476294;MM476294;COCCCn1c(CN2C(=O)C(=NOCc3ccc(C(=O)N(C)C)cc3)c3ccccc32)nc2ccccc21;XXLFUTNPXWHRAC-VEWQFJOQSA-N;525.61;4.24;23517085;;;CHEMBL560936;CACO;ECACO;25;0;"<a href=https://www.ebi.ac.uk/chembl/assay_report_card/CHEMBL1054839/  target=_blank>CHEMBL1054839</a>";;;;;;;;;-4.63;;;;;;;;;;;;"Sin N, Venables BL, Combrink KD, Gulgeze HB, Yu KL, Civiello RL, Thuring J, Wang XA, Yang Z, Zadjura L, Marino A, Kadow KF, Cianci CW, Clarke J, Genovesi EV, Medina I, Lamb L, Krystal M, Meanwell NA.: Respiratory syncytial virus fusion inhibitors. Part 7: structure-activity relationships associated with a series of isatin oximes that demonstrate antiviral activity in vivo. Bioorg Med Chem Lett, Volume 19 (16), 2009";ChEMBL
MM476295;MM476295;O=Nc1c(O)n(Cc2nc3ccccc3n2CCCCF)c2cnccc12;BNAJUPMRHSJZJQ-PTGBLXJZSA-N;367.38;2.91;135965933;;;CHEMBL561137;CACO;ECACO;25;0;"<a href=https://www.ebi.ac.uk/chembl/assay_report_card/CHEMBL1054839/  target=_blank>CHEMBL1054839</a>";;;;;;;;;-5.57;;;;;;;;;;;;"Sin N, Venables BL, Combrink KD, Gulgeze HB, Yu KL, Civiello RL, Thuring J, Wang XA, Yang Z, Zadjura L, Marino A, Kadow KF, Cianci CW, Clarke J, Genovesi EV, Medina I, Lamb L, Krystal M, Meanwell NA.: Respiratory syncytial virus fusion inhibitors. Part 7: structure-activity relationships associated with a series of isatin oximes that demonstrate antiviral activity in vivo. Bioorg Med Chem Lett, Volume 19 (16), 2009";ChEMBL
MM476297;MM476297;CC(C)n1c(=O)c(C(=O)NC2CC3CCC(C2)N3CCCN2CCCCC2)cc2ccccc21;FWPLUVHDRWZXEC-BKFWDETESA-N;464.65;4.18;44248439;;;CHEMBL561398;CACO;ECACO;25;0;"<a href=https://www.ebi.ac.uk/chembl/assay_report_card/CHEMBL1052562/  target=_blank>CHEMBL1052562</a>";;;;;;;;;-4.62;;;;;;;;;;;;"McKinnell RM, Armstrong SR, Beattie DT, Choi SK, Fatheree PR, Gendron RA, Goldblum A, Humphrey PP, Long DD, Marquess DG, Shaw JP, Smith JA, Turner SD, Vickery RG.: A multivalent approach to the design and discovery of orally efficacious 5-HT4 receptor agonists. J Med Chem, Volume 52 (17), 2009";ChEMBL
MM476299;MM476299;CSc1ccc(Nc2nc3cc(C(N)=O)ccc3n2Cc2ccccc2C(F)(F)F)cc1;LDIUIXFIAWISPB-UHFFFAOYSA-N;456.49;5.67;45267853;;;CHEMBL561696;CACO;ECACO;25;0;"<a href=https://www.ebi.ac.uk/chembl/assay_report_card/CHEMBL1035569/  target=_blank>CHEMBL1035569</a>";;;;;;;;;-4.28;;;;;;;;;;;;"Lahue BR, Ma Y, Shipps GW, Seghezzi W, Herbst R.: Substituted benzimidazoles: A novel chemotype for small molecule hKSP inhibitors. Bioorg Med Chem Lett, Volume 19 (13), 2009";ChEMBL
MM476300;MM476300;CON=C1C(=O)N(Cc2nc3ccccc3n2CCCC#N)c2ncccc21;ZEJXRDWOQCJRJI-HKOYGPOVSA-N;374.4;2.63;23517099;;;CHEMBL561742;CACO;ECACO;25;0;"<a href=https://www.ebi.ac.uk/chembl/assay_report_card/CHEMBL1054839/  target=_blank>CHEMBL1054839</a>";;;;;;;;;-4.8;;;;;;;;;;;;"Sin N, Venables BL, Combrink KD, Gulgeze HB, Yu KL, Civiello RL, Thuring J, Wang XA, Yang Z, Zadjura L, Marino A, Kadow KF, Cianci CW, Clarke J, Genovesi EV, Medina I, Lamb L, Krystal M, Meanwell NA.: Respiratory syncytial virus fusion inhibitors. Part 7: structure-activity relationships associated with a series of isatin oximes that demonstrate antiviral activity in vivo. Bioorg Med Chem Lett, Volume 19 (16), 2009";ChEMBL
MM476302;MM476302;O=C1C(=NOCCF)c2cccnc2N1Cc1nc2ccccc2n1CCCCO;MLJMXQOBSLWQPB-NCELDCMTSA-N;411.44;2.44;23517124;;;CHEMBL562141;CACO;ECACO;25;0;"<a href=https://www.ebi.ac.uk/chembl/assay_report_card/CHEMBL1054839/  target=_blank>CHEMBL1054839</a>";;;;;;;;;-4.94;;;;;;;;;;;;"Sin N, Venables BL, Combrink KD, Gulgeze HB, Yu KL, Civiello RL, Thuring J, Wang XA, Yang Z, Zadjura L, Marino A, Kadow KF, Cianci CW, Clarke J, Genovesi EV, Medina I, Lamb L, Krystal M, Meanwell NA.: Respiratory syncytial virus fusion inhibitors. Part 7: structure-activity relationships associated with a series of isatin oximes that demonstrate antiviral activity in vivo. Bioorg Med Chem Lett, Volume 19 (16), 2009";ChEMBL
MM476304;MM476304;N#CCCCn1c(Cn2c(O)c(N=O)c3cccnc32)nc2ccccc21;DAZZHWVOCHMWCL-HAVVHWLPSA-N;360.38;2.46;135730692;;;CHEMBL562733;CACO;ECACO;25;0;"<a href=https://www.ebi.ac.uk/chembl/assay_report_card/CHEMBL1054839/  target=_blank>CHEMBL1054839</a>";;;;;;;;;-5.38;;;;;;;;;;;;"Sin N, Venables BL, Combrink KD, Gulgeze HB, Yu KL, Civiello RL, Thuring J, Wang XA, Yang Z, Zadjura L, Marino A, Kadow KF, Cianci CW, Clarke J, Genovesi EV, Medina I, Lamb L, Krystal M, Meanwell NA.: Respiratory syncytial virus fusion inhibitors. Part 7: structure-activity relationships associated with a series of isatin oximes that demonstrate antiviral activity in vivo. Bioorg Med Chem Lett, Volume 19 (16), 2009";ChEMBL
MM476307;MM476307;N#CCCCn1c(CN2C(=O)C(=NOCCF)c3cccnc32)nc2ccccc21;GLMHDFLHDDUQKX-LGUFXXKBSA-N;406.42;2.97;23517089;;;CHEMBL563264;CACO;ECACO;25;0;"<a href=https://www.ebi.ac.uk/chembl/assay_report_card/CHEMBL1054839/  target=_blank>CHEMBL1054839</a>";;;;;;;;;-4.81;;;;;;;;;;;;"Sin N, Venables BL, Combrink KD, Gulgeze HB, Yu KL, Civiello RL, Thuring J, Wang XA, Yang Z, Zadjura L, Marino A, Kadow KF, Cianci CW, Clarke J, Genovesi EV, Medina I, Lamb L, Krystal M, Meanwell NA.: Respiratory syncytial virus fusion inhibitors. Part 7: structure-activity relationships associated with a series of isatin oximes that demonstrate antiviral activity in vivo. Bioorg Med Chem Lett, Volume 19 (16), 2009";ChEMBL
MM476316;MM476316;CON=C1C(=O)N(Cc2nc3ccccc3n2CCCCO)c2ncccc21;LOMNIUZUACUQTQ-PTGBLXJZSA-N;379.42;2.1;23517121;;;CHEMBL564246;CACO;ECACO;25;0;"<a href=https://www.ebi.ac.uk/chembl/assay_report_card/CHEMBL1054839/  target=_blank>CHEMBL1054839</a>";;;;;;;;;-4.85;;;;;;;;;;;;"Sin N, Venables BL, Combrink KD, Gulgeze HB, Yu KL, Civiello RL, Thuring J, Wang XA, Yang Z, Zadjura L, Marino A, Kadow KF, Cianci CW, Clarke J, Genovesi EV, Medina I, Lamb L, Krystal M, Meanwell NA.: Respiratory syncytial virus fusion inhibitors. Part 7: structure-activity relationships associated with a series of isatin oximes that demonstrate antiviral activity in vivo. Bioorg Med Chem Lett, Volume 19 (16), 2009";ChEMBL
MM476322;MM476322;CS(=O)(=O)c1ccc(Nc2nc3cc(C(N)=O)ccc3n2Cc2ccccc2C(F)(F)F)cc1;PKOKKGWFSDPGGQ-UHFFFAOYSA-N;488.49;4.35;25165474;;;CHEMBL565195;CACO;ECACO;25;0;"<a href=https://www.ebi.ac.uk/chembl/assay_report_card/CHEMBL1035569/  target=_blank>CHEMBL1035569</a>";;;;;;;;;-5.74;;;;;;;;;;;;"Lahue BR, Ma Y, Shipps GW, Seghezzi W, Herbst R.: Substituted benzimidazoles: A novel chemotype for small molecule hKSP inhibitors. Bioorg Med Chem Lett, Volume 19 (13), 2009";ChEMBL
MM476325;MM476325;Cc1cn(Cc2ccc(Cl)cc2Cl)c2c(C=CC(=O)NS(=O)(=O)c3cc(Cl)c(Cl)s3)cc(F)cc12;BFBTVZNKWXWKNZ-HWKANZROSA-N;592.33;7.33;11296282;;;CHEMBL565591;CACO;ECACO;25;0;"<a href=https://www.ebi.ac.uk/chembl/assay_report_card/CHEMBL1045325/  target=_blank>CHEMBL1045325</a>";;;;;;;;;-4.95;;;;;;;;;;;;"Singh J, Zeller W, Zhou N, Hategan G, Mishra RK, Polozov A, Yu P, Onua E, Zhang J, Ramírez JL, Sigthorsson G, Thorsteinnsdottir M, Kiselyov AS, Zembower DE, Andrésson T, Gurney ME.: Structure-activity relationship studies leading to the identification of (2E)-3-[l-[(2,4-dichlorophenyl)methyl]-5-fluoro-3-methyl-lH-indol-7-yl]-N-[(4,5-dichloro-2-thienyl)sulfonyl]-2-propenamide (DG-041), a potent and selective prostanoid EP3 receptor antagonist, as a novel antiplatelet agent that does not prolong bleeding. J Med Chem, Volume 53 (1), 2010";ChEMBL
MM476333;MM476333;C[C@@H]1CC[C@H]2[C@@H](C)C(=O)O[C@@H]3O[C@]4(C)CC[C@@H]1[C@]32OO4;BLUAFEHZUWYNDE-DKGJTOOQSA-N;282.34;2.39;;;;;CACO;ECACO;25;0;"<a href=https://www.ebi.ac.uk/chembl/assay_report_card/CHEMBL1074672/  target=_blank>CHEMBL1074672</a>";;;;;;;;;-4.52;;;;;;;;;;;;"Du-Cuny L, Song Z, Moses S, Powis G, Mash EA, Meuillet EJ, Zhang S.: Computational modeling of novel inhibitors targeting the Akt pleckstrin homology domain. Bioorg Med Chem, Volume 17 (19), 2009";ChEMBL
MM476335;MM476335;CC(C)C1CN(C(=O)C(=O)c2c[nH]c3cccc(F)c23)CCN1C(=O)c1ccccc1;JQDOTZVNBIPURF-UHFFFAOYSA-N;421.47;3.5;45485481;;;CHEMBL569131;CACO;ECACO;25;0;"<a href=https://www.ebi.ac.uk/chembl/assay_report_card/CHEMBL1045523/  target=_blank>CHEMBL1045523</a>";;;;;;;;;-4.79;;;;;;;;;;;;"Wang T, Kadow JF, Zhang Z, Yin Z, Gao Q, Wu D, Parker DD, Yang Z, Zadjura L, Robinson BA, Gong YF, Spicer TP, Blair WS, Shi PY, Yamanaka G, Lin PF, Meanwell NA.: Inhibitors of HIV-1 attachment. Part 4: A study of the effect of piperazine substitution patterns on antiviral potency in the context of indole-based derivatives. Bioorg Med Chem Lett, Volume 19 (17), 2009";ChEMBL
MM476339;MM476339;CC(C)(C)C1CN(C(=O)c2ccccc2)CCN1C(=O)C(=O)c1c[nH]c2cccc(F)c12;OBEHZHAPFOBKFJ-UHFFFAOYSA-N;435.5;3.89;45485470;;;CHEMBL569792;CACO;ECACO;25;0;"<a href=https://www.ebi.ac.uk/chembl/assay_report_card/CHEMBL1045523/  target=_blank>CHEMBL1045523</a>";;;;;;;;;-4.77;;;;;;;;;;;;"Wang T, Kadow JF, Zhang Z, Yin Z, Gao Q, Wu D, Parker DD, Yang Z, Zadjura L, Robinson BA, Gong YF, Spicer TP, Blair WS, Shi PY, Yamanaka G, Lin PF, Meanwell NA.: Inhibitors of HIV-1 attachment. Part 4: A study of the effect of piperazine substitution patterns on antiviral potency in the context of indole-based derivatives. Bioorg Med Chem Lett, Volume 19 (17), 2009";ChEMBL
MM476340;MM476340;CCCCCC1CN(C(=O)C(=O)c2c[nH]c3cccc(F)c23)CCN1C(=O)c1ccccc1;FWERABPXCIEUKX-UHFFFAOYSA-N;449.53;4.42;45485480;;;CHEMBL569806;CACO;ECACO;25;0;"<a href=https://www.ebi.ac.uk/chembl/assay_report_card/CHEMBL1045523/  target=_blank>CHEMBL1045523</a>";;;;;;;;;-5.16;;;;;;;;;;;;"Wang T, Kadow JF, Zhang Z, Yin Z, Gao Q, Wu D, Parker DD, Yang Z, Zadjura L, Robinson BA, Gong YF, Spicer TP, Blair WS, Shi PY, Yamanaka G, Lin PF, Meanwell NA.: Inhibitors of HIV-1 attachment. Part 4: A study of the effect of piperazine substitution patterns on antiviral potency in the context of indole-based derivatives. Bioorg Med Chem Lett, Volume 19 (17), 2009";ChEMBL
MM476341;MM476341;CCCC1CN(C(=O)c2ccccc2)CCN1C(=O)C(=O)c1c[nH]c2cccc(F)c12;ATGNIAKOMZKQIA-UHFFFAOYSA-N;421.47;3.64;45485517;;;CHEMBL569807;CACO;ECACO;25;0;"<a href=https://www.ebi.ac.uk/chembl/assay_report_card/CHEMBL1045523/  target=_blank>CHEMBL1045523</a>";;;;;;;;;-4.76;;;;;;;;;;;;"Wang T, Kadow JF, Zhang Z, Yin Z, Gao Q, Wu D, Parker DD, Yang Z, Zadjura L, Robinson BA, Gong YF, Spicer TP, Blair WS, Shi PY, Yamanaka G, Lin PF, Meanwell NA.: Inhibitors of HIV-1 attachment. Part 4: A study of the effect of piperazine substitution patterns on antiviral potency in the context of indole-based derivatives. Bioorg Med Chem Lett, Volume 19 (17), 2009";ChEMBL
MM476342;MM476342;CCCCCC1CN(C(=O)c2ccccc2)CCN1C(=O)C(=O)c1c[nH]c2cccc(F)c12;VOVABKAMAGNWNV-UHFFFAOYSA-N;449.53;4.42;45485518;;;CHEMBL569808;CACO;ECACO;25;0;"<a href=https://www.ebi.ac.uk/chembl/assay_report_card/CHEMBL1045523/  target=_blank>CHEMBL1045523</a>";;;;;;;;;-4.81;;;;;;;;;;;;"Wang T, Kadow JF, Zhang Z, Yin Z, Gao Q, Wu D, Parker DD, Yang Z, Zadjura L, Robinson BA, Gong YF, Spicer TP, Blair WS, Shi PY, Yamanaka G, Lin PF, Meanwell NA.: Inhibitors of HIV-1 attachment. Part 4: A study of the effect of piperazine substitution patterns on antiviral potency in the context of indole-based derivatives. Bioorg Med Chem Lett, Volume 19 (17), 2009";ChEMBL
MM476345;MM476345;C[C@H]1CN(C(=O)c2ccccc2)CCN1C(=O)C(=O)c1c[nH]c2cccc(F)c12;GJIOAZQCBADHSB-AWEZNQCLSA-N;393.42;2.86;;;;;CACO;ECACO;25;0;"<a href=https://www.ebi.ac.uk/chembl/assay_report_card/CHEMBL1045523/  target=_blank>CHEMBL1045523</a>";;;;;;;;;-5.06;;;;;;;;;;;;"Wang T, Kadow JF, Zhang Z, Yin Z, Gao Q, Wu D, Parker DD, Yang Z, Zadjura L, Robinson BA, Gong YF, Spicer TP, Blair WS, Shi PY, Yamanaka G, Lin PF, Meanwell NA.: Inhibitors of HIV-1 attachment. Part 4: A study of the effect of piperazine substitution patterns on antiviral potency in the context of indole-based derivatives. Bioorg Med Chem Lett, Volume 19 (17), 2009";ChEMBL
MM476347;MM476347;CCC1CN(C(=O)C(=O)c2c[nH]c3cccc(F)c23)CCN1C(=O)c1ccccc1;JIYDSLCGNMDXBR-UHFFFAOYSA-N;407.45;3.25;45485474;;;CHEMBL570931;CACO;ECACO;25;0;"<a href=https://www.ebi.ac.uk/chembl/assay_report_card/CHEMBL1045523/  target=_blank>CHEMBL1045523</a>";;;;;;;;;-4.77;;;;;;;;;;;;"Wang T, Kadow JF, Zhang Z, Yin Z, Gao Q, Wu D, Parker DD, Yang Z, Zadjura L, Robinson BA, Gong YF, Spicer TP, Blair WS, Shi PY, Yamanaka G, Lin PF, Meanwell NA.: Inhibitors of HIV-1 attachment. Part 4: A study of the effect of piperazine substitution patterns on antiviral potency in the context of indole-based derivatives. Bioorg Med Chem Lett, Volume 19 (17), 2009";ChEMBL
Ketoprofen;MM00662;CC(C(=O)O)c1cccc(C(=O)c2ccccc2)c1;DKYWVDODHFEZIM-UHFFFAOYSA-N;254.29;3.11;3825;DB01009;;CHEMBL571;CACO;ECACO;25;0;"<a href=https://www.ebi.ac.uk/chembl/assay_report_card/CHEMBL859786/  target=_blank>CHEMBL859786</a>";;;;;;;;;-4.59;;;;;;;;;;;;"Voets M, Antes I, Scherer C, Müller-Vieira U, Biemel K, Marchais-Oberwinkler S, Hartmann RW.: Synthesis and evaluation of heteroaryl-substituted dihydronaphthalenes and indenes: potent and selective inhibitors of aldosterone synthase (CYP11B2) for the treatment of congestive heart failure and myocardial fibrosis. J Med Chem, Volume 49 (7), 2006";ChEMBL
Ketoprofen;MM00662;CC(C(=O)O)c1cccc(C(=O)c2ccccc2)c1;DKYWVDODHFEZIM-UHFFFAOYSA-N;254.29;3.11;3825;DB01009;;CHEMBL571;CACO;ECACO;25;0;"<a href=https://www.ebi.ac.uk/chembl/assay_report_card/CHEMBL1032443/  target=_blank>CHEMBL1032443</a>";;;;;;;;;-4.59;;;;;;;;;;;;"Bey E, Marchais-Oberwinkler S, Werth R, Negri M, Al-Soud YA, Kruchten P, Oster A, Frotscher M, Birk B, Hartmann RW.: Design, synthesis, biological evaluation and pharmacokinetics of bis(hydroxyphenyl) substituted azoles, thiophenes, benzenes, and aza-benzenes as potent and selective nonsteroidal inhibitors of 17beta-hydroxysteroid dehydrogenase type 1 (17beta-HSD1). J Med Chem, Volume 51 (21), 2008";ChEMBL
MM476348;MM476348;CC1CN(C(=O)c2ccccc2)CCN1C(=O)C(=O)c1c[nH]c2cccc(F)c12;GJIOAZQCBADHSB-UHFFFAOYSA-N;393.42;2.86;506286;;;CHEMBL571135;CACO;ECACO;25;0;"<a href=https://www.ebi.ac.uk/chembl/assay_report_card/CHEMBL1045523/  target=_blank>CHEMBL1045523</a>";;;;;;;;;-5.14;;;;;;;;;;;;"Wang T, Kadow JF, Zhang Z, Yin Z, Gao Q, Wu D, Parker DD, Yang Z, Zadjura L, Robinson BA, Gong YF, Spicer TP, Blair WS, Shi PY, Yamanaka G, Lin PF, Meanwell NA.: Inhibitors of HIV-1 attachment. Part 4: A study of the effect of piperazine substitution patterns on antiviral potency in the context of indole-based derivatives. Bioorg Med Chem Lett, Volume 19 (17), 2009";ChEMBL
MM476349;MM476349;CCCC1CN(C(=O)C(=O)c2c[nH]c3cccc(F)c23)CCN1C(=O)c1ccccc1;OHMAVAINSFOTRQ-UHFFFAOYSA-N;421.47;3.64;45485475;;;CHEMBL571147;CACO;ECACO;25;0;"<a href=https://www.ebi.ac.uk/chembl/assay_report_card/CHEMBL1045523/  target=_blank>CHEMBL1045523</a>";;;;;;;;;-4.81;;;;;;;;;;;;"Wang T, Kadow JF, Zhang Z, Yin Z, Gao Q, Wu D, Parker DD, Yang Z, Zadjura L, Robinson BA, Gong YF, Spicer TP, Blair WS, Shi PY, Yamanaka G, Lin PF, Meanwell NA.: Inhibitors of HIV-1 attachment. Part 4: A study of the effect of piperazine substitution patterns on antiviral potency in the context of indole-based derivatives. Bioorg Med Chem Lett, Volume 19 (17), 2009";ChEMBL
MM476350;MM476350;COc1cccc2[nH]cc(C(=O)C(=O)N3CCN(C(=O)c4ccccc4)CC3C)c12;YWHUPMDHHBIXPR-OAHLLOKOSA-N;405.45;2.73;506330;;;CHEMBL571578;CACO;ECACO;25;0;"<a href=https://www.ebi.ac.uk/chembl/assay_report_card/CHEMBL1045523/  target=_blank>CHEMBL1045523</a>";;;;;;;;;-5.34;;;;;;;;;;;;"Wang T, Kadow JF, Zhang Z, Yin Z, Gao Q, Wu D, Parker DD, Yang Z, Zadjura L, Robinson BA, Gong YF, Spicer TP, Blair WS, Shi PY, Yamanaka G, Lin PF, Meanwell NA.: Inhibitors of HIV-1 attachment. Part 4: A study of the effect of piperazine substitution patterns on antiviral potency in the context of indole-based derivatives. Bioorg Med Chem Lett, Volume 19 (17), 2009";ChEMBL
MM476353;MM476353;CCC1CN(C(=O)c2ccccc2)CCN1C(=O)C(=O)c1c[nH]c2cccc(F)c12;UOQQQRFMXIOQQJ-UHFFFAOYSA-N;407.45;3.25;45485510;;;CHEMBL571796;CACO;ECACO;25;0;"<a href=https://www.ebi.ac.uk/chembl/assay_report_card/CHEMBL1045523/  target=_blank>CHEMBL1045523</a>";;;;;;;;;-4.82;;;;;;;;;;;;"Wang T, Kadow JF, Zhang Z, Yin Z, Gao Q, Wu D, Parker DD, Yang Z, Zadjura L, Robinson BA, Gong YF, Spicer TP, Blair WS, Shi PY, Yamanaka G, Lin PF, Meanwell NA.: Inhibitors of HIV-1 attachment. Part 4: A study of the effect of piperazine substitution patterns on antiviral potency in the context of indole-based derivatives. Bioorg Med Chem Lett, Volume 19 (17), 2009";ChEMBL
MM476354;MM476354;CC(C)CC1CN(C(=O)C(=O)c2c[nH]c3cccc(F)c23)CCN1C(=O)c1ccccc1;WSCMWUHPGDJGCX-UHFFFAOYSA-N;435.5;3.89;45485484;;;CHEMBL571810;CACO;ECACO;25;0;"<a href=https://www.ebi.ac.uk/chembl/assay_report_card/CHEMBL1045523/  target=_blank>CHEMBL1045523</a>";;;;;;;;;-4.72;;;;;;;;;;;;"Wang T, Kadow JF, Zhang Z, Yin Z, Gao Q, Wu D, Parker DD, Yang Z, Zadjura L, Robinson BA, Gong YF, Spicer TP, Blair WS, Shi PY, Yamanaka G, Lin PF, Meanwell NA.: Inhibitors of HIV-1 attachment. Part 4: A study of the effect of piperazine substitution patterns on antiviral potency in the context of indole-based derivatives. Bioorg Med Chem Lett, Volume 19 (17), 2009";ChEMBL
MM476355;MM476355;C[C@@H]1CN(C(=O)c2ccccc2)CCN1C(=O)C(=O)c1c[nH]c2cccc(F)c12;GJIOAZQCBADHSB-CQSZACIVSA-N;393.42;2.86;;;;;CACO;ECACO;25;0;"<a href=https://www.ebi.ac.uk/chembl/assay_report_card/CHEMBL1045523/  target=_blank>CHEMBL1045523</a>";;;;;;;;;-5.27;;;;;;;;;;;;"Wang T, Kadow JF, Zhang Z, Yin Z, Gao Q, Wu D, Parker DD, Yang Z, Zadjura L, Robinson BA, Gong YF, Spicer TP, Blair WS, Shi PY, Yamanaka G, Lin PF, Meanwell NA.: Inhibitors of HIV-1 attachment. Part 4: A study of the effect of piperazine substitution patterns on antiviral potency in the context of indole-based derivatives. Bioorg Med Chem Lett, Volume 19 (17), 2009";ChEMBL
MM476356;MM476356;CC(C)C1CN(C(=O)c2ccccc2)CCN1C(=O)C(=O)c1c[nH]c2cccc(F)c12;UMIRVWYLVYLOHJ-UHFFFAOYSA-N;421.47;3.5;45485526;;;CHEMBL572035;CACO;ECACO;25;0;"<a href=https://www.ebi.ac.uk/chembl/assay_report_card/CHEMBL1045523/  target=_blank>CHEMBL1045523</a>";;;;;;;;;-4.78;;;;;;;;;;;;"Wang T, Kadow JF, Zhang Z, Yin Z, Gao Q, Wu D, Parker DD, Yang Z, Zadjura L, Robinson BA, Gong YF, Spicer TP, Blair WS, Shi PY, Yamanaka G, Lin PF, Meanwell NA.: Inhibitors of HIV-1 attachment. Part 4: A study of the effect of piperazine substitution patterns on antiviral potency in the context of indole-based derivatives. Bioorg Med Chem Lett, Volume 19 (17), 2009";ChEMBL
MM476357;MM476357;CC(C)C(NC(=O)C(OCc1ccccc1)C(O)C(O)C(OCc1ccccc1)C(=O)NC1c2ccccc2CC1O)C(=O)NCC(F)(F)F;GCKBHEHXTWPFBD-CDNLURBZSA-N;701.74;2.47;44820362;;;CHEMBL573809;CACO;ECACO;25;0;"<a href=https://www.ebi.ac.uk/chembl/assay_report_card/CHEMBL1036995/  target=_blank>CHEMBL1036995</a>";;;;;;;;;-5.54;;;;;;;;;;;;"Adrian Meredith J, Wallberg H, Vrang L, Oscarson S, Parkes K, Hallberg A, Samuelsson B.: Design and synthesis of novel P2 substituents in diol-based HIV protease inhibitors. Eur J Med Chem, Volume 45 (1), 2010";ChEMBL
MM476359;MM476359;CC(C)C(NC(=O)C(OCc1ccccc1)C(O)C(O)C(OCc1ccccc1)C(=O)NC1c2ccccc2CC1O)C(=O)NCCF;YAKLVQLNBNXLLB-MLPSMZPESA-N;665.76;1.88;44817703;;;CHEMBL573845;CACO;ECACO;25;0;"<a href=https://www.ebi.ac.uk/chembl/assay_report_card/CHEMBL1036995/  target=_blank>CHEMBL1036995</a>";;;;;;;;;-5.8;;;;;;;;;;;;"Adrian Meredith J, Wallberg H, Vrang L, Oscarson S, Parkes K, Hallberg A, Samuelsson B.: Design and synthesis of novel P2 substituents in diol-based HIV protease inhibitors. Eur J Med Chem, Volume 45 (1), 2010";ChEMBL
MM476360;MM476360;CNC(=O)C(NC(=O)C(OCc1ccccc1)C(O)C(O)C(OCc1ccccc1)C(=O)NC1c2ccccc2CC1O)C(C)C;VZNNJZGVQVNHCM-CDNLURBZSA-N;633.74;1.54;445305;;;CHEMBL573887;CACO;ECACO;25;0;"<a href=https://www.ebi.ac.uk/chembl/assay_report_card/CHEMBL1036995/  target=_blank>CHEMBL1036995</a>";;;;;;;;;-5.85;;;;;;;;;;;;"Adrian Meredith J, Wallberg H, Vrang L, Oscarson S, Parkes K, Hallberg A, Samuelsson B.: Design and synthesis of novel P2 substituents in diol-based HIV protease inhibitors. Eur J Med Chem, Volume 45 (1), 2010";ChEMBL
MM476361;MM476361;COC(=O)NC(C(=O)NN(CCC(O)(Cc1ccccc1)C(=O)NC1c2ccccc2CC1O)Cc1ccc(Br)cc1)C(C)(C)C;YIGWEZGHVPDQGX-IRYJCKHSSA-N;695.66;4.19;44818264;;;CHEMBL574795;CACO;ECACO;25;0;"<a href=https://www.ebi.ac.uk/chembl/assay_report_card/CHEMBL1048544/  target=_blank>CHEMBL1048544</a>";;;;;;;;;-4.38;;;;;;;;;;;;"Mahalingam AK, Axelsson L, Ekegren JK, Wannberg J, Kihlström J, Unge T, Wallberg H, Samuelsson B, Larhed M, Hallberg A.: HIV-1 protease inhibitors with a transition-state mimic comprising a tertiary alcohol: improved antiviral activity in cells. J Med Chem, Volume 53 (2), 2010";ChEMBL
MM474397;MM474397;CC1(C(=O)Nc2ccc(F)nc2)CCCN1c1nc(Nc2cc(C3CC3)[nH]n2)c2cccn2n1;;461.51;3.61;24785538;;;CHEMBL575448;CACO;ECACO;25;0;"<a href=https://www.ebi.ac.uk/chembl/assay_report_card/CHEMBL1050155/  target=_blank>CHEMBL1050155</a>";;;;;;;;;-4.85;;;;;;;;;;;;"Wittman MD, Carboni JM, Yang Z, Lee FY, Antman M, Attar R, Balimane P, Chang C, Chen C, Discenza L, Frennesson D, Gottardis MM, Greer A, Hurlburt W, Johnson W, Langley DR, Li A, Li J, Liu P, Mastalerz H, Mathur A, Menard K, Patel K, Sack J, Sang X, Saulnier M, Smith D, Stefanski K, Trainor G, Velaparthi U, Zhang G, Zimmermann K, Vyas DM.: Discovery of a 2,4-disubstituted pyrrolo[1,2-f][1,2,4]triazine inhibitor (BMS-754807) of insulin-like growth factor receptor (IGF-1R) kinase in clinical development. J Med Chem, Volume 52 (23), 2009";ChEMBL
MM476364;MM476364;CC(NC(=O)C(N)Cc1ccc(O)cc1)C(=O)NC(Cc1ccccc1)C(=O)NC(Cc1ccccc1)C(N)=O;;545.64;0.71;16760005;;;CHEMBL58178;CACO;ECACO;25;0;"<a href=https://www.ebi.ac.uk/chembl/assay_report_card/CHEMBL635760/  target=_blank>CHEMBL635760</a>";;;;;;;;;-7.4;;;;;;;;;;;;"Stenberg P, Norinder U, Luthman K, Artursson P.: Experimental and computational screening models for the prediction of intestinal drug absorption. J Med Chem, Volume 44 (12), 2001";ChEMBL
MM476364;MM476364;CC(NC(=O)C(N)Cc1ccc(O)cc1)C(=O)NC(Cc1ccccc1)C(=O)NC(Cc1ccccc1)C(N)=O;;545.64;0.71;16760005;;;CHEMBL58178;CACO;ECACO;25;0;"<a href=https://www.ebi.ac.uk/chembl/assay_report_card/CHEMBL638024/  target=_blank>CHEMBL638024</a>";;;;;;;;;-7.66;;;;;;;;;;;;"Stenberg P, Norinder U, Luthman K, Artursson P.: Experimental and computational screening models for the prediction of intestinal drug absorption. J Med Chem, Volume 44 (12), 2001";ChEMBL
MM476365;MM476365;NC(=O)C(Cc1ccccc1)NC(=O)C(Cc1ccccc1)NC(=O)C(CCCN=C(N)N)NC(=O)C(N)Cc1ccc(O)cc1;;630.75;-0.26;44300727;;;CHEMBL58337;CACO;ECACO;25;0;"<a href=https://www.ebi.ac.uk/chembl/assay_report_card/CHEMBL635760/  target=_blank>CHEMBL635760</a>";;;;;;;;;-7.43;;;;;;;;;;;;"Stenberg P, Norinder U, Luthman K, Artursson P.: Experimental and computational screening models for the prediction of intestinal drug absorption. J Med Chem, Volume 44 (12), 2001";ChEMBL
MM476365;MM476365;NC(=O)C(Cc1ccccc1)NC(=O)C(Cc1ccccc1)NC(=O)C(CCCN=C(N)N)NC(=O)C(N)Cc1ccc(O)cc1;;630.75;-0.26;44300727;;;CHEMBL58337;CACO;ECACO;25;0;"<a href=https://www.ebi.ac.uk/chembl/assay_report_card/CHEMBL638024/  target=_blank>CHEMBL638024</a>";;;;;;;;;-7.64;;;;;;;;;;;;"Stenberg P, Norinder U, Luthman K, Artursson P.: Experimental and computational screening models for the prediction of intestinal drug absorption. J Med Chem, Volume 44 (12), 2001";ChEMBL
MM476366;MM476366;COC(=O)NC(C(=O)NN(CCC(O)(Cc1ccccc1)C(=O)NC1c2ccccc2CC1O)Cc1ccc(-c2ccccn2)cc1)C(C)(C)C;AWOPQBWUWCOWJO-UKVDXBKXSA-N;693.85;4.49;44483192;;;CHEMBL583370;CACO;ECACO;25;0;"<a href=https://www.ebi.ac.uk/chembl/assay_report_card/CHEMBL1048544/  target=_blank>CHEMBL1048544</a>";;;;;;;;;-5.46;;;;;;;;;;;;"Mahalingam AK, Axelsson L, Ekegren JK, Wannberg J, Kihlström J, Unge T, Wallberg H, Samuelsson B, Larhed M, Hallberg A.: HIV-1 protease inhibitors with a transition-state mimic comprising a tertiary alcohol: improved antiviral activity in cells. J Med Chem, Volume 53 (2), 2010";ChEMBL
MM476367;MM476367;COC(=O)NC(C(=O)NN(CCC(O)(Cc1ccccc1)C(=O)NC1c2ccccc2CC1O)Cc1ccc(-c2cccnc2)cc1)C(C)(C)C;DEWMMLXUMBSCSB-UKVDXBKXSA-N;693.85;4.49;44818441;;;CHEMBL583371;CACO;ECACO;25;0;"<a href=https://www.ebi.ac.uk/chembl/assay_report_card/CHEMBL1048544/  target=_blank>CHEMBL1048544</a>";;;;;;;;;-4.59;;;;;;;;;;;;"Mahalingam AK, Axelsson L, Ekegren JK, Wannberg J, Kihlström J, Unge T, Wallberg H, Samuelsson B, Larhed M, Hallberg A.: HIV-1 protease inhibitors with a transition-state mimic comprising a tertiary alcohol: improved antiviral activity in cells. J Med Chem, Volume 53 (2), 2010";ChEMBL
MM476368;MM476368;CC1CN(C(=O)C(=O)c2c[nH]c3cccc(F)c23)CCN1C(=O)c1ccccc1;PNJPCIYMKXINDN-UHFFFAOYSA-N;393.42;2.86;506290;;;CHEMBL583538;CACO;ECACO;25;0;"<a href=https://www.ebi.ac.uk/chembl/assay_report_card/CHEMBL1045523/  target=_blank>CHEMBL1045523</a>";;;;;;;;;-5.44;;;;;;;;;;;;"Wang T, Kadow JF, Zhang Z, Yin Z, Gao Q, Wu D, Parker DD, Yang Z, Zadjura L, Robinson BA, Gong YF, Spicer TP, Blair WS, Shi PY, Yamanaka G, Lin PF, Meanwell NA.: Inhibitors of HIV-1 attachment. Part 4: A study of the effect of piperazine substitution patterns on antiviral potency in the context of indole-based derivatives. Bioorg Med Chem Lett, Volume 19 (17), 2009";ChEMBL
MM476371;MM476371;CN1CC(OC(=O)N2CCCCC2)CC(C(=O)NO)C1C(=O)N1CCN(c2ccccc2)CC1;PDNKMRBXZXHUFT-ACRUOGEOSA-N;473.57;1.15;45487335;;;CHEMBL584116;CACO;ECACO;25;0;"<a href=https://www.ebi.ac.uk/chembl/assay_report_card/CHEMBL1043551/  target=_blank>CHEMBL1043551</a>";;;;;;;;;-6.05;;;;;;;;;;;;"Li YL, Shi E, Burns D, Li Y, Covington MB, Pan M, Scherle P, Friedman S, Metcalf B, Yao W.: Discovery of novel selective HER-2 sheddase inhibitors through optimization of P1 moiety. Bioorg Med Chem Lett, Volume 19 (17), 2009";ChEMBL
MM476372;MM476372;CC(C)CC1CN(C(=O)c2ccccc2)CCN1C(=O)C(=O)c1c[nH]c2cccc(F)c12;KMKYQGQHWZOOBS-UHFFFAOYSA-N;435.5;3.89;45485459;;;CHEMBL584328;CACO;ECACO;25;0;"<a href=https://www.ebi.ac.uk/chembl/assay_report_card/CHEMBL1045523/  target=_blank>CHEMBL1045523</a>";;;;;;;;;-4.77;;;;;;;;;;;;"Wang T, Kadow JF, Zhang Z, Yin Z, Gao Q, Wu D, Parker DD, Yang Z, Zadjura L, Robinson BA, Gong YF, Spicer TP, Blair WS, Shi PY, Yamanaka G, Lin PF, Meanwell NA.: Inhibitors of HIV-1 attachment. Part 4: A study of the effect of piperazine substitution patterns on antiviral potency in the context of indole-based derivatives. Bioorg Med Chem Lett, Volume 19 (17), 2009";ChEMBL
MM476375;MM476375;Nc1nonc1C(=Nc1ccc(F)c(Cl)c1)NO;HGXSLPIXNPASGZ-UHFFFAOYSA-N;271.64;1.69;135424953;;;CHEMBL584991;CACO;ECACO;25;0;"<a href=https://www.ebi.ac.uk/chembl/assay_report_card/CHEMBL1042999/  target=_blank>CHEMBL1042999</a>";;;;;;;;;-4.44;;;;;;;;;;;;"Yue EW, Douty B, Wayland B, Bower M, Liu X, Leffet L, Wang Q, Bowman KJ, Hansbury MJ, Liu C, Wei M, Li Y, Wynn R, Burn TC, Koblish HK, Fridman JS, Metcalf B, Scherle PA, Combs AP.: Discovery of potent competitive inhibitors of indoleamine 2,3-dioxygenase with in vivo pharmacodynamic activity and efficacy in a mouse melanoma model. J Med Chem, Volume 52 (23), 2009";ChEMBL
MM476377;MM476377;Nc1nonc1C(=NCc1ccccc1)NO;RDNDSCCANZUONG-UHFFFAOYSA-N;233.23;0.58;3106159;;;CHEMBL585186;CACO;ECACO;25;0;"<a href=https://www.ebi.ac.uk/chembl/assay_report_card/CHEMBL1042999/  target=_blank>CHEMBL1042999</a>";;;;;;;;;-4.41;;;;;;;;;;;;"Yue EW, Douty B, Wayland B, Bower M, Liu X, Leffet L, Wang Q, Bowman KJ, Hansbury MJ, Liu C, Wei M, Li Y, Wynn R, Burn TC, Koblish HK, Fridman JS, Metcalf B, Scherle PA, Combs AP.: Discovery of potent competitive inhibitors of indoleamine 2,3-dioxygenase with in vivo pharmacodynamic activity and efficacy in a mouse melanoma model. J Med Chem, Volume 52 (23), 2009";ChEMBL
MM476382;MM476382;O=C(O)c1ccc(Cn2nnc(-c3ccnc(C(=O)NCc4cccc(F)c4)c3)n2)cc1;VMAHZFWSXKJIIT-UHFFFAOYSA-N;432.42;2.55;46225419;;;CHEMBL593034;CACO;ECACO;25;0;"<a href=https://www.ebi.ac.uk/chembl/assay_report_card/CHEMBL1069311/  target=_blank>CHEMBL1069311</a>";;;;;;;;;-4.99;;;;;;;;;;;;"Schnute ME, O'Brien PM, Nahra J, Morris M, Howard Roark W, Hanau CE, Ruminski PG, Scholten JA, Fletcher TR, Hamper BC, Carroll JN, Patt WC, Shieh HS, Collins B, Pavlovsky AG, Palmquist KE, Aston KW, Hitchcock J, Rogers MD, McDonald J, Johnson AR, Munie GE, Wittwer AJ, Man CF, Settle SL, Nemirovskiy O, Vickery LE, Agawal A, Dyer RD, Sunyer T.: Discovery of (pyridin-4-yl)-2H-tetrazole as a novel scaffold to identify highly selective matrix metalloproteinase-13 inhibitors for the treatment of osteoarthritis. Bioorg Med Chem Lett, Volume 20 (2), 2010";ChEMBL
MM476386;MM476386;Cc1cc(-c2nnn(Cc3ccc(C(=O)O)cc3)n2)cc(C(=O)NCc2ccccc2)n1;NGSHRTUKGSZFAB-UHFFFAOYSA-N;428.45;2.72;46225454;;;CHEMBL593256;CACO;ECACO;25;0;"<a href=https://www.ebi.ac.uk/chembl/assay_report_card/CHEMBL1069311/  target=_blank>CHEMBL1069311</a>";;;;;;;;;-5.24;;;;;;;;;;;;"Schnute ME, O'Brien PM, Nahra J, Morris M, Howard Roark W, Hanau CE, Ruminski PG, Scholten JA, Fletcher TR, Hamper BC, Carroll JN, Patt WC, Shieh HS, Collins B, Pavlovsky AG, Palmquist KE, Aston KW, Hitchcock J, Rogers MD, McDonald J, Johnson AR, Munie GE, Wittwer AJ, Man CF, Settle SL, Nemirovskiy O, Vickery LE, Agawal A, Dyer RD, Sunyer T.: Discovery of (pyridin-4-yl)-2H-tetrazole as a novel scaffold to identify highly selective matrix metalloproteinase-13 inhibitors for the treatment of osteoarthritis. Bioorg Med Chem Lett, Volume 20 (2), 2010";ChEMBL
MM476387;MM476387;COC(=O)N(C)c1cc2c(NCc3ccc(OC)c(Cl)c3)ncnc2c(CCO)c1OC;HHYZCHIATOFILW-UHFFFAOYSA-N;460.92;3.65;24810298;;;CHEMBL594160;CACO;ECACO;25;0;"<a href=https://www.ebi.ac.uk/chembl/assay_report_card/CHEMBL1068549/  target=_blank>CHEMBL1068549</a>";;;;;;;;;-4.46;;;;;;;;;;;;"Choi H, Lee J, Kim YH, Im DS, Hwang IC, Kim SJ, Moon SK, Lee HW, Lee SS, Ahn SK, Kim SW, Choi NS, Lee KJ.: Discovery of potent, selective, and orally bioavailable PDE5 inhibitor: Methyl-4-(3-chloro-4-methoxybenzylamino)-8-(2-hydroxyethyl)-7-methoxyquinazolin-6-ylmethylcarbamate (CKD 533). Bioorg Med Chem Lett, Volume 20 (1), 2010";ChEMBL
MM476388;MM476388;CN(C)CC(O)COc1ccc(CCOC2CC2)cc1;QXKZYKFVUJEGTM-UHFFFAOYSA-N;279.38;1.71;46226687;;;CHEMBL594646;CACO;ECACO;25;0;"<a href=https://www.ebi.ac.uk/chembl/assay_report_card/CHEMBL1074672/  target=_blank>CHEMBL1074672</a>";;;;;;;;;-4.81;;;;;;;;;;;;"Du-Cuny L, Song Z, Moses S, Powis G, Mash EA, Meuillet EJ, Zhang S.: Computational modeling of novel inhibitors targeting the Akt pleckstrin homology domain. Bioorg Med Chem, Volume 17 (19), 2009";ChEMBL
"trans-4-((5-(2-(4-fluorobenzylcarbamoyl)-6-methylpyridin-4-yl)-2H-tetrazol-2-yl)methyl)cyclohexanecarboxylic acid";MM18015;Cc1cc(-c2nnn(CC3CCC(C(=O)O)CC3)n2)cc(C(=O)NCc2ccc(F)cc2)n1;KOTGODCEORJYIF-UHFFFAOYSA-N;452.49;3;46225455;;;CHEMBL596056;CACO;ECACO;25;0;"<a href=https://www.ebi.ac.uk/chembl/assay_report_card/CHEMBL1069311/  target=_blank>CHEMBL1069311</a>";;;;;;;;;-5;;;;;;;;;;;;"Schnute ME, O'Brien PM, Nahra J, Morris M, Howard Roark W, Hanau CE, Ruminski PG, Scholten JA, Fletcher TR, Hamper BC, Carroll JN, Patt WC, Shieh HS, Collins B, Pavlovsky AG, Palmquist KE, Aston KW, Hitchcock J, Rogers MD, McDonald J, Johnson AR, Munie GE, Wittwer AJ, Man CF, Settle SL, Nemirovskiy O, Vickery LE, Agawal A, Dyer RD, Sunyer T.: Discovery of (pyridin-4-yl)-2H-tetrazole as a novel scaffold to identify highly selective matrix metalloproteinase-13 inhibitors for the treatment of osteoarthritis. Bioorg Med Chem Lett, Volume 20 (2), 2010";ChEMBL
MM476393;MM476393;Cc1cc(-c2nnn(Cc3ccc(C(=O)O)cc3)n2)cc(C(=O)NCc2ccc(F)c(F)c2)n1;DDIZQGYTODZYGV-UHFFFAOYSA-N;464.43;3;46225474;;;CHEMBL596071;CACO;ECACO;25;0;"<a href=https://www.ebi.ac.uk/chembl/assay_report_card/CHEMBL1069311/  target=_blank>CHEMBL1069311</a>";;;;;;;;;-5.57;;;;;;;;;;;;"Schnute ME, O'Brien PM, Nahra J, Morris M, Howard Roark W, Hanau CE, Ruminski PG, Scholten JA, Fletcher TR, Hamper BC, Carroll JN, Patt WC, Shieh HS, Collins B, Pavlovsky AG, Palmquist KE, Aston KW, Hitchcock J, Rogers MD, McDonald J, Johnson AR, Munie GE, Wittwer AJ, Man CF, Settle SL, Nemirovskiy O, Vickery LE, Agawal A, Dyer RD, Sunyer T.: Discovery of (pyridin-4-yl)-2H-tetrazole as a novel scaffold to identify highly selective matrix metalloproteinase-13 inhibitors for the treatment of osteoarthritis. Bioorg Med Chem Lett, Volume 20 (2), 2010";ChEMBL
MM476394;MM476394;COc1ccc(CNC(=O)c2cc(-c3nnn(Cc4ccc(C(=O)O)cc4)n3)cc(C)n2)cc1;MVLDDHUTICQDIF-UHFFFAOYSA-N;458.48;2.73;46225475;;;CHEMBL596287;CACO;ECACO;25;0;"<a href=https://www.ebi.ac.uk/chembl/assay_report_card/CHEMBL1069311/  target=_blank>CHEMBL1069311</a>";;;;;;;;;-5.55;;;;;;;;;;;;"Schnute ME, O'Brien PM, Nahra J, Morris M, Howard Roark W, Hanau CE, Ruminski PG, Scholten JA, Fletcher TR, Hamper BC, Carroll JN, Patt WC, Shieh HS, Collins B, Pavlovsky AG, Palmquist KE, Aston KW, Hitchcock J, Rogers MD, McDonald J, Johnson AR, Munie GE, Wittwer AJ, Man CF, Settle SL, Nemirovskiy O, Vickery LE, Agawal A, Dyer RD, Sunyer T.: Discovery of (pyridin-4-yl)-2H-tetrazole as a novel scaffold to identify highly selective matrix metalloproteinase-13 inhibitors for the treatment of osteoarthritis. Bioorg Med Chem Lett, Volume 20 (2), 2010";ChEMBL
Indomethacin;MM00656;COc1ccc2c(c1)c(CC(=O)O)c(C)n2C(=O)c1ccc(Cl)cc1;CGIGDMFJXJATDK-UHFFFAOYSA-N;357.79;3.93;3715;DB00328;IMN;CHEMBL6;CACO;ECACO;25;0;"<a href=https://www.ebi.ac.uk/chembl/assay_report_card/CHEMBL619358/  target=_blank>CHEMBL619358</a>";;;;;;;;;-4.69;;;;;;;;;;;;"Mandagere AK, Thompson TN, Hwang KK.: Graphical model for estimating oral bioavailability of drugs in humans and other species from their Caco-2 permeability and in vitro liver enzyme metabolic stability rates. J Med Chem, Volume 45 (2), 2002";ChEMBL
MM476398;MM476398;OC[C@H]1O[C@H](OC[C@H]2O[C@H](O[C@]3(CO)O[C@H](CO)[C@@H](O)[C@@H]3O)[C@H](O)[C@@H](O)[C@@H]2O)[C@H](O)[C@@H](O)[C@H]1O;;504.44;-7.57;;;;CHEMBL603717;CACO;ECACO;25;0;"<a href=https://www.ebi.ac.uk/chembl/assay_report_card/CHEMBL635760/  target=_blank>CHEMBL635760</a>";;;;;;;;;-7.29;;;;;;;;;;;;"Stenberg P, Norinder U, Luthman K, Artursson P.: Experimental and computational screening models for the prediction of intestinal drug absorption. J Med Chem, Volume 44 (12), 2001";ChEMBL
MM476398;MM476398;OC[C@H]1O[C@H](OC[C@H]2O[C@H](O[C@]3(CO)O[C@H](CO)[C@@H](O)[C@@H]3O)[C@H](O)[C@@H](O)[C@@H]2O)[C@H](O)[C@@H](O)[C@H]1O;;504.44;-7.57;;;;CHEMBL603717;CACO;ECACO;25;0;"<a href=https://www.ebi.ac.uk/chembl/assay_report_card/CHEMBL638024/  target=_blank>CHEMBL638024</a>";;;;;;;;;-7.33;;;;;;;;;;;;"Stenberg P, Norinder U, Luthman K, Artursson P.: Experimental and computational screening models for the prediction of intestinal drug absorption. J Med Chem, Volume 44 (12), 2001";ChEMBL
MM476399;MM476399;CCC(=O)N(C)c1cc2c(NCc3ccc(OC)c(Cl)c3)ncnc2c(CCO)c1OC;JVYRZEUKHPHYCW-UHFFFAOYSA-N;458.95;3.82;24810297;;;CHEMBL604271;CACO;ECACO;25;0;"<a href=https://www.ebi.ac.uk/chembl/assay_report_card/CHEMBL1068549/  target=_blank>CHEMBL1068549</a>";;;;;;;;;-4.77;;;;;;;;;;;;"Choi H, Lee J, Kim YH, Im DS, Hwang IC, Kim SJ, Moon SK, Lee HW, Lee SS, Ahn SK, Kim SW, Choi NS, Lee KJ.: Discovery of potent, selective, and orally bioavailable PDE5 inhibitor: Methyl-4-(3-chloro-4-methoxybenzylamino)-8-(2-hydroxyethyl)-7-methoxyquinazolin-6-ylmethylcarbamate (CKD 533). Bioorg Med Chem Lett, Volume 20 (1), 2010";ChEMBL
MM476400;MM476400;COc1cccc(CNC(=O)c2cc(-c3nnn(Cc4ccc(C(=O)O)cc4)n3)cc(C)n2)c1;NAQYQAFYLLAUJD-UHFFFAOYSA-N;458.48;2.73;46225476;;;CHEMBL605742;CACO;ECACO;25;0;"<a href=https://www.ebi.ac.uk/chembl/assay_report_card/CHEMBL1069311/  target=_blank>CHEMBL1069311</a>";;;;;;;;;-5.01;;;;;;;;;;;;"Schnute ME, O'Brien PM, Nahra J, Morris M, Howard Roark W, Hanau CE, Ruminski PG, Scholten JA, Fletcher TR, Hamper BC, Carroll JN, Patt WC, Shieh HS, Collins B, Pavlovsky AG, Palmquist KE, Aston KW, Hitchcock J, Rogers MD, McDonald J, Johnson AR, Munie GE, Wittwer AJ, Man CF, Settle SL, Nemirovskiy O, Vickery LE, Agawal A, Dyer RD, Sunyer T.: Discovery of (pyridin-4-yl)-2H-tetrazole as a novel scaffold to identify highly selective matrix metalloproteinase-13 inhibitors for the treatment of osteoarthritis. Bioorg Med Chem Lett, Volume 20 (2), 2010";ChEMBL
MM476403;MM476403;O=C(NC(=NCc1ccccc1)NC(=O)OCc1ccccc1)OCc1ccccc1;BZLGCNUKBJMRCG-UHFFFAOYSA-N;417.47;4.4;10835768;;;CHEMBL60896;CACO;ECACO;25;0;"<a href=https://www.ebi.ac.uk/chembl/assay_report_card/CHEMBL656467/  target=_blank>CHEMBL656467</a>";;;;;;;;;-6.29;;;;;;;;;;;;10.1016/S0960-894X(01)80549-7;ChEMBL
MM476404;MM476404;O=C(Cc1ccccc1)OCOC(=O)NC(=NCc1ccccc1)NC(=O)OCOC(=O)Cc1ccccc1;DDPYJJVDRKGJHG-UHFFFAOYSA-N;533.54;3.48;44302950;;;CHEMBL61233;CACO;ECACO;25;0;"<a href=https://www.ebi.ac.uk/chembl/assay_report_card/CHEMBL656467/  target=_blank>CHEMBL656467</a>";;;;;;;;;-5.07;;;;;;;;;;;;10.1016/S0960-894X(01)80549-7;ChEMBL
MM476405;MM476405;O=C(NC(=NCc1ccccc1)NC(=O)Oc1ccccc1)Oc1ccccc1;DRGOQQJFEZMLSM-UHFFFAOYSA-N;389.41;4.12;44302731;;;CHEMBL62243;CACO;ECACO;25;0;"<a href=https://www.ebi.ac.uk/chembl/assay_report_card/CHEMBL656467/  target=_blank>CHEMBL656467</a>";;;;;;;;;-5.19;;;;;;;;;;;;10.1016/S0960-894X(01)80549-7;ChEMBL
Alfentanil;MM00439;CCC(=O)N(c1ccccc1)C1(COC)CCN(CCn2nnn(CC)c2=O)CC1;IDBPHNDTYPBSNI-UHFFFAOYSA-N;416.53;1.38;51263;DB00802;;CHEMBL634;CACO;ECACO;25;0;"<a href=https://www.ebi.ac.uk/chembl/assay_report_card/CHEMBL635760/  target=_blank>CHEMBL635760</a>";;;;;;;;;-4.08;;;;;;;;;;;;"Stenberg P, Norinder U, Luthman K, Artursson P.: Experimental and computational screening models for the prediction of intestinal drug absorption. J Med Chem, Volume 44 (12), 2001";ChEMBL
Alfentanil;MM00439;CCC(=O)N(c1ccccc1)C1(COC)CCN(CCn2nnn(CC)c2=O)CC1;IDBPHNDTYPBSNI-UHFFFAOYSA-N;416.53;1.38;51263;DB00802;;CHEMBL634;CACO;ECACO;25;0;"<a href=https://www.ebi.ac.uk/chembl/assay_report_card/CHEMBL638024/  target=_blank>CHEMBL638024</a>";;;;;;;;;-3.51;;;;;;;;;;;;"Stenberg P, Norinder U, Luthman K, Artursson P.: Experimental and computational screening models for the prediction of intestinal drug absorption. J Med Chem, Volume 44 (12), 2001";ChEMBL
Acebutolol;MM00437;CCCC(=O)Nc1ccc(OCC(O)CNC(C)C)c(C(C)=O)c1;GOEMGAFJFRBGGG-OAHLLOKOSA-N;336.43;2.37;1978;DB01193;;CHEMBL642;CACO;ECACO;25;0;"<a href=https://www.ebi.ac.uk/chembl/assay_report_card/CHEMBL1074672/  target=_blank>CHEMBL1074672</a>";;;;;;;;;-5.83;;;;;;;;;;;;"Du-Cuny L, Song Z, Moses S, Powis G, Mash EA, Meuillet EJ, Zhang S.: Computational modeling of novel inhibitors targeting the Akt pleckstrin homology domain. Bioorg Med Chem, Volume 17 (19), 2009";ChEMBL
MM476406;MM476406;CC1CCN(C(=O)C(CCCN=C(N)N)NS(=O)(=O)c2ccc3ccccc3c2)CC1;PXJYHBGLVOUKAU-FQEVSTJZSA-N;445.59;1.8;44308779;;;CHEMBL66348;CACO;ECACO;25;0;"<a href=https://www.ebi.ac.uk/chembl/assay_report_card/CHEMBL656468/  target=_blank>CHEMBL656468</a>";;;;;;;;;-6.4;;;;;;;;;;;;10.1016/S0960-894X(00)80064-5;ChEMBL
"Foscarnet Sodium";MM17213;O=C(O)P(=O)(O)O;ZJAOAACCNHFJAH-UHFFFAOYSA-N;126;-0.16;3415;;;CHEMBL666;CACO;ECACO;25;0;"<a href=https://www.ebi.ac.uk/chembl/assay_report_card/CHEMBL635760/  target=_blank>CHEMBL635760</a>";;;;;;;;;-7.35;;;;;;;;;;;;"Stenberg P, Norinder U, Luthman K, Artursson P.: Experimental and computational screening models for the prediction of intestinal drug absorption. J Med Chem, Volume 44 (12), 2001";ChEMBL
"Foscarnet Sodium";MM17213;O=C(O)P(=O)(O)O;ZJAOAACCNHFJAH-UHFFFAOYSA-N;126;-0.16;3415;;;CHEMBL666;CACO;ECACO;25;0;"<a href=https://www.ebi.ac.uk/chembl/assay_report_card/CHEMBL638024/  target=_blank>CHEMBL638024</a>";;;;;;;;;-7.3;;;;;;;;;;;;"Stenberg P, Norinder U, Luthman K, Artursson P.: Experimental and computational screening models for the prediction of intestinal drug absorption. J Med Chem, Volume 44 (12), 2001";ChEMBL
MM476407;MM476407;CC1CCN(C(=O)C(CCCNc2cccnn2)NS(=O)(=O)c2ccc3ccccc3c2)CC1;RBZAVTOBLCUJMN-QHCPKHFHSA-N;481.62;3.43;44308649;;;CHEMBL66887;CACO;ECACO;25;0;"<a href=https://www.ebi.ac.uk/chembl/assay_report_card/CHEMBL656468/  target=_blank>CHEMBL656468</a>";;;;;;;;;-4.91;;;;;;;;;;;;10.1016/S0960-894X(00)80064-5;ChEMBL
MM476408;MM476408;CC1CCN(C(=O)C(CCCNc2ncccn2)NS(=O)(=O)c2ccc3ccccc3c2)CC1;ZYJKUCRTVPIMSK-QHCPKHFHSA-N;481.62;3.43;18657596;;;CHEMBL68474;CACO;ECACO;25;0;"<a href=https://www.ebi.ac.uk/chembl/assay_report_card/CHEMBL656468/  target=_blank>CHEMBL656468</a>";;;;;;;;;-4.86;;;;;;;;;;;;10.1016/S0960-894X(00)80064-5;ChEMBL
D-mannitol;MM00386;OCC(O)C(O)C(O)C(O)CO;FBPFZTCFMRRESA-KVTDHHQDSA-N;182.17;-3.59;6251;DB00742;MTL;CHEMBL689;CACO;ECACO;25;0;"<a href=https://www.ebi.ac.uk/chembl/assay_report_card/CHEMBL905629/  target=_blank>CHEMBL905629</a>";;;;;;;;;-6.26;;;;;;;;;;;;"Chan E, Amon M, Marano RJ, Wimmer N, Kearns PS, Manolios N, Rakoczy PE, Toth I.: Novel cationic lipophilic peptides for oligodeoxynucleotide delivery. Bioorg Med Chem, Volume 15 (12), 2007";ChEMBL
D-mannitol;MM00386;OCC(O)C(O)C(O)C(O)CO;FBPFZTCFMRRESA-KVTDHHQDSA-N;182.17;-3.59;6251;DB00742;MTL;CHEMBL689;CACO;ECACO;25;0;"<a href=https://www.ebi.ac.uk/chembl/assay_report_card/CHEMBL898108/  target=_blank>CHEMBL898108</a>";;;;;;;;;-7.08;;;;;;;;;;;;"Wessling ST, Ross BP, Koda Y, Blanchfield JT, Toth I.: Caco-2 cell permeability and stability of two d-glucopyranuronamide conjugates of thyrotropin-releasing hormone. Bioorg Med Chem, Volume 15 (14), 2007";ChEMBL
D-mannitol;MM00386;OCC(O)C(O)C(O)C(O)CO;FBPFZTCFMRRESA-KVTDHHQDSA-N;182.17;-3.59;6251;DB00742;MTL;CHEMBL689;CACO;ECACO;25;0;"<a href=https://www.ebi.ac.uk/chembl/assay_report_card/CHEMBL619358/  target=_blank>CHEMBL619358</a>";;;;;;;;;-5.7;;;;;;;;;;;;"Mandagere AK, Thompson TN, Hwang KK.: Graphical model for estimating oral bioavailability of drugs in humans and other species from their Caco-2 permeability and in vitro liver enzyme metabolic stability rates. J Med Chem, Volume 45 (2), 2002";ChEMBL
D-mannitol;MM00386;OCC(O)C(O)C(O)C(O)CO;FBPFZTCFMRRESA-KVTDHHQDSA-N;182.17;-3.59;6251;DB00742;MTL;CHEMBL689;CACO;ECACO;25;0;"<a href=https://www.ebi.ac.uk/chembl/assay_report_card/CHEMBL657442/  target=_blank>CHEMBL657442</a>";;;;;;;;;-5.23;;;;;;;;;;;;"Blanchfield JT, Dutton JL, Hogg RC, Gallagher OP, Craik DJ, Jones A, Adams DJ, Lewis RJ, Alewood PF, Toth I.: Synthesis, structure elucidation, in vitro biological activity, toxicity, and Caco-2 cell permeability of lipophilic analogues of alpha-conotoxin MII. J Med Chem, Volume 46 (7), 2003";ChEMBL
D-mannitol;MM00386;OCC(O)C(O)C(O)C(O)CO;FBPFZTCFMRRESA-KVTDHHQDSA-N;182.17;-3.59;6251;DB00742;MTL;CHEMBL689;CACO;ECACO;25;0;"<a href=https://www.ebi.ac.uk/chembl/assay_report_card/CHEMBL854467/  target=_blank>CHEMBL854467</a>";;;;;;;;;-5.66;;;;;;;;;;;;"Tian X, Field TB, Switzer AG, Mazur AW, Ebetino FH, Wos JA, Berberich SM, Jayasinghe LR, Obringer CM, Dowty ME, Pinney BB, Farmer JA, Crossdoersen D, Sheldon RJ.: Design, synthesis, and evaluation of proline and pyrrolidine based melanocortin receptor agonists. A conformationally restricted dipeptide mimic approach. J Med Chem, Volume 49 (15), 2006";ChEMBL
D-mannitol;MM00386;OCC(O)C(O)C(O)C(O)CO;FBPFZTCFMRRESA-KVTDHHQDSA-N;182.17;-3.59;6251;DB00742;MTL;CHEMBL689;CACO;ECACO;25;0;"<a href=https://www.ebi.ac.uk/chembl/assay_report_card/CHEMBL854468/  target=_blank>CHEMBL854468</a>";;;;;;;;;-5.74;;;;;;;;;;;;"Tian X, Field TB, Switzer AG, Mazur AW, Ebetino FH, Wos JA, Berberich SM, Jayasinghe LR, Obringer CM, Dowty ME, Pinney BB, Farmer JA, Crossdoersen D, Sheldon RJ.: Design, synthesis, and evaluation of proline and pyrrolidine based melanocortin receptor agonists. A conformationally restricted dipeptide mimic approach. J Med Chem, Volume 49 (15), 2006";ChEMBL
D-mannitol;MM00386;OCC(O)C(O)C(O)C(O)CO;FBPFZTCFMRRESA-KVTDHHQDSA-N;182.17;-3.59;6251;DB00742;MTL;CHEMBL689;CACO;ECACO;25;0;"<a href=https://www.ebi.ac.uk/chembl/assay_report_card/CHEMBL901110/  target=_blank>CHEMBL901110</a>";;;;;;;;;-5.66;;;;;;;;;;;;"Hess S, Ovadia O, Shalev DE, Senderovich H, Qadri B, Yehezkel T, Salitra Y, Sheynis T, Jelinek R, Gilon C, Hoffman A.: Effect of structural and conformation modifications, including backbone cyclization, of hydrophilic hexapeptides on their intestinal permeability and enzymatic stability. J Med Chem, Volume 50 (24), 2007";ChEMBL
D-mannitol;MM00386;OCC(O)C(O)C(O)C(O)CO;FBPFZTCFMRRESA-KVTDHHQDSA-N;182.17;-3.59;6251;DB00742;MTL;CHEMBL689;CACO;ECACO;25;0;"<a href=https://www.ebi.ac.uk/chembl/assay_report_card/CHEMBL902034/  target=_blank>CHEMBL902034</a>";;;;;;;;;-6.05;;;;;;;;;;;;"Chatterjee J, Ovadia O, Zahn G, Marinelli L, Hoffman A, Gilon C, Kessler H.: Multiple N-methylation by a designed approach enhances receptor selectivity. J Med Chem, Volume 50 (24), 2007";ChEMBL
D-mannitol;MM00386;OCC(O)C(O)C(O)C(O)CO;FBPFZTCFMRRESA-KVTDHHQDSA-N;182.17;-3.59;6251;DB00742;MTL;CHEMBL689;CACO;ECACO;25;0;"<a href=https://www.ebi.ac.uk/chembl/assay_report_card/CHEMBL932308/  target=_blank>CHEMBL932308</a>";;;;;;;;;-5.69;;;;;;;;;;;;"Hess S, Linde Y, Ovadia O, Safrai E, Shalev DE, Swed A, Halbfinger E, Lapidot T, Winkler I, Gabinet Y, Faier A, Yarden D, Xiang Z, Portillo FP, Haskell-Luevano C, Gilon C, Hoffman A.: Backbone cyclic peptidomimetic melanocortin-4 receptor agonist as a novel orally administrated drug lead for treating obesity. J Med Chem, Volume 51 (4), 2008";ChEMBL
Verapamil;MM00585;COc1ccc(CCN(C)CCCC(C#N)(c2ccc(OC)c(OC)c2)C(C)C)cc1OC;SGTNSNPWRIOYBX-UHFFFAOYSA-N;454.61;5.09;2520;DB00661;;CHEMBL6966;CACO;ECACO;25;0;"<a href=https://www.ebi.ac.uk/chembl/assay_report_card/CHEMBL619358/  target=_blank>CHEMBL619358</a>";;;;;;;;;-4.16;;;;;;;;;;;;"Mandagere AK, Thompson TN, Hwang KK.: Graphical model for estimating oral bioavailability of drugs in humans and other species from their Caco-2 permeability and in vitro liver enzyme metabolic stability rates. J Med Chem, Volume 45 (2), 2002";ChEMBL
Verapamil;MM00585;COc1ccc(CCN(C)CCCC(C#N)(c2ccc(OC)c(OC)c2)C(C)C)cc1OC;SGTNSNPWRIOYBX-UHFFFAOYSA-N;454.61;5.09;2520;DB00661;;CHEMBL6966;CACO;ECACO;25;0;"<a href=https://www.ebi.ac.uk/chembl/assay_report_card/CHEMBL840608/  target=_blank>CHEMBL840608</a>";;;;;;;;;-5.14;;;;;;;;;;;;"Refsgaard HH, Jensen BF, Brockhoff PB, Padkjaer SB, Guldbrandt M, Christensen MS.: In silico prediction of membrane permeability from calculated molecular parameters. J Med Chem, Volume 48 (3), 2005";ChEMBL
Practolol;MM00544;CC(=O)Nc1ccc(OCC(O)CNC(C)C)cc1;DURULFYMVIFBIR-UHFFFAOYSA-N;266.34;1.38;4883;DB01297;;CHEMBL6995;CACO;ECACO;25;0;"<a href=https://www.ebi.ac.uk/chembl/assay_report_card/CHEMBL635760/  target=_blank>CHEMBL635760</a>";;;;;;;;;-5.74;;;;;;;;;;;;"Stenberg P, Norinder U, Luthman K, Artursson P.: Experimental and computational screening models for the prediction of intestinal drug absorption. J Med Chem, Volume 44 (12), 2001";ChEMBL
Practolol;MM00544;CC(=O)Nc1ccc(OCC(O)CNC(C)C)cc1;DURULFYMVIFBIR-UHFFFAOYSA-N;266.34;1.38;4883;DB01297;;CHEMBL6995;CACO;ECACO;25;0;"<a href=https://www.ebi.ac.uk/chembl/assay_report_card/CHEMBL638024/  target=_blank>CHEMBL638024</a>";;;;;;;;;-5.46;;;;;;;;;;;;"Stenberg P, Norinder U, Luthman K, Artursson P.: Experimental and computational screening models for the prediction of intestinal drug absorption. J Med Chem, Volume 44 (12), 2001";ChEMBL
MM476409;MM476409;COc1ccc2ccc(S(=O)(=O)NC(CCCNc3cccnn3)C(=O)N3CCC(C)CC3)cc2c1;AAQOQDDVXLLHAW-DEOSSOPVSA-N;511.65;3.44;44308631;;;CHEMBL69990;CACO;ECACO;25;0;"<a href=https://www.ebi.ac.uk/chembl/assay_report_card/CHEMBL656468/  target=_blank>CHEMBL656468</a>";;;;;;;;;-4.92;;;;;;;;;;;;10.1016/S0960-894X(00)80064-5;ChEMBL
MM476410;MM476410;CCN1CCN(C(=O)N[C@@H](C(=O)N[C@@H]2C(=O)N3[C@@H]2SC(C)(C)[C@@H]3C(=O)O)c2ccccc2)C(=O)C1=O;IVBHGBMCVLDMKU-GXNBUGAJSA-N;517.56;-0.24;;;;;CACO;ECACO;25;0;"<a href=https://www.ebi.ac.uk/chembl/assay_report_card/CHEMBL898879/  target=_blank>CHEMBL898879</a>";;;;;;;;;-7.49;;;;;;;;;;;;"Falconer RA, Toth I.: Design, synthesis and biological evaluation of novel lipoamino acid-based glycolipids for oral drug delivery. Bioorg Med Chem, Volume 15 (22), 2007";ChEMBL
Chlorpromazine;MM00461;CN(C)CCCN1c2ccccc2Sc2ccc(Cl)cc21;ZPEIMTDSQAKGNT-UHFFFAOYSA-N;318.87;4.89;2726;DB00477;Z80;CHEMBL71;CACO;ECACO;25;0;"<a href=https://www.ebi.ac.uk/chembl/assay_report_card/CHEMBL1074672/  target=_blank>CHEMBL1074672</a>";;;;;;;;;-4.7;;;;;;;;;;;;"Du-Cuny L, Song Z, Moses S, Powis G, Mash EA, Meuillet EJ, Zhang S.: Computational modeling of novel inhibitors targeting the Akt pleckstrin homology domain. Bioorg Med Chem, Volume 17 (19), 2009";ChEMBL
Chlorpromazine;MM00461;CN(C)CCCN1c2ccccc2Sc2ccc(Cl)cc21;ZPEIMTDSQAKGNT-UHFFFAOYSA-N;318.87;4.89;2726;DB00477;Z80;CHEMBL71;CACO;ECACO;25;0;"<a href=https://www.ebi.ac.uk/chembl/assay_report_card/CHEMBL638187/  target=_blank>CHEMBL638187</a>";;;;;;;;;-4.7;;;;;;;;;;;;"Wohnsland F, Faller B.: High-throughput permeability pH profile and high-throughput alkane/water log P with artificial membranes. J Med Chem, Volume 44 (6), 2001";ChEMBL
Desipramine;MM00474;CNCCCN1c2ccccc2CCc2ccccc21;HCYAFALTSJYZDH-UHFFFAOYSA-N;266.39;3.53;2995;DB01151;DSM;CHEMBL72;CACO;ECACO;25;0;"<a href=https://www.ebi.ac.uk/chembl/assay_report_card/CHEMBL638187/  target=_blank>CHEMBL638187</a>";;;;;;;;;-4.6;;;;;;;;;;;;"Wohnsland F, Faller B.: High-throughput permeability pH profile and high-throughput alkane/water log P with artificial membranes. J Med Chem, Volume 44 (6), 2001";ChEMBL
MM476411;MM476411;NC(=O)N(O)CCC#Cc1ccc(CN2CCN(C(c3ccccc3)c3ccc(Cl)cc3)CC2)o1;GLXQEUGDWMYWCC-AREMUKBSSA-N;493.01;4.35;9913604;;;CHEMBL73135;CACO;ECACO;25;0;"<a href=https://www.ebi.ac.uk/chembl/assay_report_card/CHEMBL619360/  target=_blank>CHEMBL619360</a>";;;;;;;;;-5;;;;;;;;;;;;"Lewis TA, Bayless L, Eckman JB, Ellis JL, Grewal G, Libertine L, Marie Nicolas J, Scannell RT, Wels BF, Wenberg K, Wypij DM.: 5-lipoxygenase inhibitors with histamine H(1) receptor antagonist activity. Bioorg Med Chem Lett, Volume 14 (9), 2004";ChEMBL
MM476412;MM476412;CCCCCN=C(N)NN=Cc1c[nH]c2ccc(OC)cc12;IKBKZGMPCYNSLU-RGVLZGJSSA-N;301.39;2.81;135409453;;;CHEMBL76370;CACO;ECACO;25;0;"<a href=https://www.ebi.ac.uk/chembl/assay_report_card/CHEMBL1052562/  target=_blank>CHEMBL1052562</a>";;;;;;;;;-4.96;;;;;;;;;;;;"McKinnell RM, Armstrong SR, Beattie DT, Choi SK, Fatheree PR, Gendron RA, Goldblum A, Humphrey PP, Long DD, Marquess DG, Shaw JP, Smith JA, Turner SD, Vickery RG.: A multivalent approach to the design and discovery of orally efficacious 5-HT4 receptor agonists. J Med Chem, Volume 52 (17), 2009";ChEMBL
MM476413;MM476413;CN(C(=O)C(Cc1ccc(C(=N)N)cc1)NS(=O)(=O)c1ccc2ccccc2c1)C1CCCC1;TVTAJKGLDXBFHL-DEOSSOPVSA-N;478.62;3.41;12991294;;;CHEMBL7656;CACO;ECACO;25;0;"<a href=https://www.ebi.ac.uk/chembl/assay_report_card/CHEMBL619357/  target=_blank>CHEMBL619357</a>";;;;;;;;;-6.7;;;;;;;;;;;;"Lee K, Jung WH, Park CW, Hong CY, Kim IC, Kim S, Oh YS, Kwon OH, Lee SH, Park HD, Kim SW, Lee YH, Yoo YJ.: Benzylamine-based selective and orally bioavailable inhibitors of thrombin. Bioorg Med Chem Lett, Volume 8 (18), 1998";ChEMBL
MM476417;MM476417;CN(C(=O)C(Cc1ccc(C(N)=NN)cc1)NS(=O)(=O)c1ccc2ccccc2c1)C1CCCC1;ZPDICRPCOSQEDS-DEOSSOPVSA-N;493.63;2.92;9913629;;;CHEMBL7962;CACO;ECACO;25;0;"<a href=https://www.ebi.ac.uk/chembl/assay_report_card/CHEMBL619357/  target=_blank>CHEMBL619357</a>";;;;;;;;;-5.77;;;;;;;;;;;;"Lee K, Jung WH, Park CW, Hong CY, Kim IC, Kim S, Oh YS, Kwon OH, Lee SH, Park HD, Kim SW, Lee YH, Yoo YJ.: Benzylamine-based selective and orally bioavailable inhibitors of thrombin. Bioorg Med Chem Lett, Volume 8 (18), 1998";ChEMBL
Ciprofloxacin;MM00726;O=C(O)c1cn(C2CC2)c2cc(N3CCNCC3)c(F)cc2c1=O;MYSWGUAQZAJSOK-UHFFFAOYSA-N;331.35;1.58;2764;DB00537;CPF;CHEMBL8;CACO;ECACO;25;0;"<a href=https://www.ebi.ac.uk/chembl/assay_report_card/CHEMBL635760/  target=_blank>CHEMBL635760</a>";;;;;;;;;-5.77;;;;;;;;;;;;"Stenberg P, Norinder U, Luthman K, Artursson P.: Experimental and computational screening models for the prediction of intestinal drug absorption. J Med Chem, Volume 44 (12), 2001";ChEMBL
Ciprofloxacin;MM00726;O=C(O)c1cn(C2CC2)c2cc(N3CCNCC3)c(F)cc2c1=O;MYSWGUAQZAJSOK-UHFFFAOYSA-N;331.35;1.58;2764;DB00537;CPF;CHEMBL8;CACO;ECACO;25;0;"<a href=https://www.ebi.ac.uk/chembl/assay_report_card/CHEMBL638024/  target=_blank>CHEMBL638024</a>";;;;;;;;;-5.72;;;;;;;;;;;;"Stenberg P, Norinder U, Luthman K, Artursson P.: Experimental and computational screening models for the prediction of intestinal drug absorption. J Med Chem, Volume 44 (12), 2001";ChEMBL
Chlorothiazide;MM00641;NS(=O)(=O)c1cc2c(cc1Cl)NC=NS2(=O)=O;JBMKAUGHUNFTOL-UHFFFAOYSA-N;295.73;0.13;2720;DB00880;;CHEMBL842;CACO;ECACO;25;0;"<a href=https://www.ebi.ac.uk/chembl/assay_report_card/CHEMBL1074672/  target=_blank>CHEMBL1074672</a>";;;;;;;;;-6.72;;;;;;;;;;;;"Du-Cuny L, Song Z, Moses S, Powis G, Mash EA, Meuillet EJ, Zhang S.: Computational modeling of novel inhibitors targeting the Akt pleckstrin homology domain. Bioorg Med Chem, Volume 17 (19), 2009";ChEMBL
Metolazone;MM00390;Cc1ccccc1N1C(=O)c2cc(S(N)(=O)=O)c(Cl)cc2NC1C;AQCHWTWZEMGIFD-UHFFFAOYSA-N;365.84;2.71;4170;DB00524;;CHEMBL878;CACO;ECACO;25;0;"<a href=https://www.ebi.ac.uk/chembl/assay_report_card/CHEMBL635760/  target=_blank>CHEMBL635760</a>";;;;;;;;;-5.21;;;;;;;;;;;;"Stenberg P, Norinder U, Luthman K, Artursson P.: Experimental and computational screening models for the prediction of intestinal drug absorption. J Med Chem, Volume 44 (12), 2001";ChEMBL
Metolazone;MM00390;Cc1ccccc1N1C(=O)c2cc(S(N)(=O)=O)c(Cl)cc2NC1C;AQCHWTWZEMGIFD-UHFFFAOYSA-N;365.84;2.71;4170;DB00524;;CHEMBL878;CACO;ECACO;25;0;"<a href=https://www.ebi.ac.uk/chembl/assay_report_card/CHEMBL638024/  target=_blank>CHEMBL638024</a>";;;;;;;;;-5.21;;;;;;;;;;;;"Stenberg P, Norinder U, Luthman K, Artursson P.: Experimental and computational screening models for the prediction of intestinal drug absorption. J Med Chem, Volume 44 (12), 2001";ChEMBL
MM476421;MM476421;NC(=O)c1cc(OCCc2ccc(Cl)cc2Cl)cc(C(=O)NCC2CCN(c3ccncc3)CC2)c1;ZKSQIMPBUMVRHT-UHFFFAOYSA-N;527.45;4.76;10052619;;;CHEMBL92144;CACO;ECACO;25;0;"<a href=https://www.ebi.ac.uk/chembl/assay_report_card/CHEMBL657446/  target=_blank>CHEMBL657446</a>";;;;;;;;;-5.91;;;;;;;;;;;;"Nazaré M, Matter H, Klingler O, Al-Obeidi F, Schreuder H, Zoller G, Czech J, Lorenz M, Dudda A, Peyman A, Nestler HP, Urmann M, Bauer A, Laux V, Wehner V, Will DW.: Novel factor Xa inhibitors based on a benzoic acid scaffold and incorporating a neutral P1 ligand. Bioorg Med Chem Lett, Volume 14 (11), 2004";ChEMBL
MM476422;MM476422;COc1ccc2ccc(S(=O)(=O)NC(Cc3cc4c(N)nccc4s3)C(=O)N3CCN(S(C)(=O)=O)CC3)cc2c1;JSHTULLJXFHMCL-UHFFFAOYSA-N;603.75;2.03;44328445;;;CHEMBL93549;CACO;ECACO;25;0;"<a href=https://www.ebi.ac.uk/chembl/assay_report_card/CHEMBL877667/  target=_blank>CHEMBL877667</a>";;;;;;;;;-6;;;;;;;;;;;;"Rewinkel JB, Lucas H, Smit MJ, Noach AB, van Dinther TG, Rood AM, Jenneboer AJ, van Boeckel CA.: Design, synthesis and testing of amino-bicycloaryl based orally bioavailable thrombin inhibitors. Bioorg Med Chem Lett, Volume 9 (19), 1999";ChEMBL
Amiloride;MM00267;N=C(N)NC(=O)c1nc(Cl)c(N)nc1N;XSDQTOBWRPYKKA-UHFFFAOYSA-N;229.63;-1.08;16231;DB00594;AMR;CHEMBL945;CACO;ECACO;25;0;"<a href=https://www.ebi.ac.uk/chembl/assay_report_card/CHEMBL1074672/  target=_blank>CHEMBL1074672</a>";;;;;;;;;-6.15;;;;;;;;;;;;"Du-Cuny L, Song Z, Moses S, Powis G, Mash EA, Meuillet EJ, Zhang S.: Computational modeling of novel inhibitors targeting the Akt pleckstrin homology domain. Bioorg Med Chem, Volume 17 (19), 2009";ChEMBL
Amiloride;MM00267;N=C(N)NC(=O)c1nc(Cl)c(N)nc1N;XSDQTOBWRPYKKA-UHFFFAOYSA-N;229.63;-1.08;16231;DB00594;AMR;CHEMBL945;CACO;ECACO;25;0;"<a href=https://www.ebi.ac.uk/chembl/assay_report_card/CHEMBL635760/  target=_blank>CHEMBL635760</a>";;;;;;;;;-6.25;;;;;;;;;;;;"Stenberg P, Norinder U, Luthman K, Artursson P.: Experimental and computational screening models for the prediction of intestinal drug absorption. J Med Chem, Volume 44 (12), 2001";ChEMBL
Amiloride;MM00267;N=C(N)NC(=O)c1nc(Cl)c(N)nc1N;XSDQTOBWRPYKKA-UHFFFAOYSA-N;229.63;-1.08;16231;DB00594;AMR;CHEMBL945;CACO;ECACO;25;0;"<a href=https://www.ebi.ac.uk/chembl/assay_report_card/CHEMBL638024/  target=_blank>CHEMBL638024</a>";;;;;;;;;-6.11;;;;;;;;;;;;"Stenberg P, Norinder U, Luthman K, Artursson P.: Experimental and computational screening models for the prediction of intestinal drug absorption. J Med Chem, Volume 44 (12), 2001";ChEMBL
MM476423;MM476423;COc1ccc2ccc(S(=O)(=O)NC(Cc3cc4c(N)nccc4s3)C(=O)N3CCC(C)CC3)cc2c1;YHZXQULQLNKEPU-UHFFFAOYSA-N;538.7;4.19;11757017;;;CHEMBL94702;CACO;ECACO;25;0;"<a href=https://www.ebi.ac.uk/chembl/assay_report_card/CHEMBL877667/  target=_blank>CHEMBL877667</a>";;;;;;;;;-4.92;;;;;;;;;;;;"Rewinkel JB, Lucas H, Smit MJ, Noach AB, van Dinther TG, Rood AM, Jenneboer AJ, van Boeckel CA.: Design, synthesis and testing of amino-bicycloaryl based orally bioavailable thrombin inhibitors. Bioorg Med Chem Lett, Volume 9 (19), 1999";ChEMBL
Bosentan;MM01433;COc1ccccc1Oc1c(NS(=O)(=O)c2ccc(C(C)(C)C)cc2)nc(-c2ncccn2)nc1OCCO;GJPICJJJRGTNOD-UHFFFAOYSA-N;551.63;4.2;104865;DB00559;;CHEMBL957;CACO;ECACO;25;0;"<a href=https://www.ebi.ac.uk/chembl/assay_report_card/CHEMBL1074672/  target=_blank>CHEMBL1074672</a>";;;;;;;;;-5.98;;;;;;;;;;;;"Du-Cuny L, Song Z, Moses S, Powis G, Mash EA, Meuillet EJ, Zhang S.: Computational modeling of novel inhibitors targeting the Akt pleckstrin homology domain. Bioorg Med Chem, Volume 17 (19), 2009";ChEMBL
MM476424;MM476424;COc1ccc(C(=O)NCC2CCN(c3ccncc3)CC2)cc1OCCc1ccc(Cl)cc1Cl;UVSAHJWEJXWVGO-UHFFFAOYSA-N;514.45;5.66;6420136;;;CHEMBL96434;CACO;ECACO;25;0;"<a href=https://www.ebi.ac.uk/chembl/assay_report_card/CHEMBL657446/  target=_blank>CHEMBL657446</a>";;;;;;;;;-5.32;;;;;;;;;;;;"Nazaré M, Matter H, Klingler O, Al-Obeidi F, Schreuder H, Zoller G, Czech J, Lorenz M, Dudda A, Peyman A, Nestler HP, Urmann M, Bauer A, Laux V, Wehner V, Will DW.: Novel factor Xa inhibitors based on a benzoic acid scaffold and incorporating a neutral P1 ligand. Bioorg Med Chem Lett, Volume 14 (11), 2004";ChEMBL
MM476425;MM476425;CC1CCN(C(=O)C(Cc2cccc(C(=N)N)c2)NS(=O)(=O)c2ccc3ccccc3c2)CC1;NXVHWZWNOYBQDB-UHFFFAOYSA-N;478.62;3.27;10390341;;;CHEMBL97597;CACO;ECACO;25;0;"<a href=https://www.ebi.ac.uk/chembl/assay_report_card/CHEMBL877667/  target=_blank>CHEMBL877667</a>";;;;;;;;;-4.85;;;;;;;;;;;;"Rewinkel JB, Lucas H, Smit MJ, Noach AB, van Dinther TG, Rood AM, Jenneboer AJ, van Boeckel CA.: Design, synthesis and testing of amino-bicycloaryl based orally bioavailable thrombin inhibitors. Bioorg Med Chem Lett, Volume 9 (19), 1999";ChEMBL
MM476426;MM476426;CCN(CC)C(=O)[C@@]1(c2ccccc2)C[C@H]1CN;;246.35;1.77;;;;CHEMBL99946;CACO;ECACO;25;0;"<a href=https://www.ebi.ac.uk/chembl/assay_report_card/CHEMBL930503/  target=_blank>CHEMBL930503</a>";;;;;;;;;-5.29;;;;;;;;;;;;"Tamiya J, Dyck B, Zhang M, Phan K, Fleck BA, Aparicio A, Jovic F, Tran JA, Vickers T, Grey J, Foster AC, Chen C.: Identification of 1S,2R-milnacipran analogs as potent norepinephrine and serotonin transporter inhibitors. Bioorg Med Chem Lett, Volume 18 (11), 2008";ChEMBL
MM476426;MM476426;CCN(CC)C(=O)[C@@]1(c2ccccc2)C[C@H]1CN;;246.35;1.77;;;;CHEMBL99946;CACO;ECACO;25;0;"<a href=https://www.ebi.ac.uk/chembl/assay_report_card/CHEMBL931359/  target=_blank>CHEMBL931359</a>";;;;;;;;;-5.29;;;;;;;;;;;;"Vickers T, Dyck B, Tamiya J, Zhang M, Jovic F, Grey J, Fleck BA, Aparicio A, Johns M, Jin L, Tang H, Foster AC, Chen C.: Studies on a series of milnacipran analogs containing a heteroaromatic group as potent norepinephrine and serotonin transporter inhibitors. Bioorg Med Chem Lett, Volume 18 (11), 2008";ChEMBL
MM476427;MM476427;CCCc1nc(CC)c(C(N)=O)n1Cc1ccc(-c2ccccc2S(=O)(=O)Nc2onc(C)c2C)c(C)c1;;535.67;4.93;9871837;;;CHEMBL12106;CACO;ECACO;25;0;"ph = 5.5, <a href=https://www.ebi.ac.uk/chembl/assay_report_card/CHEMBL656469/  target=_blank>CHEMBL656469</a>";;;;;;;;;-5.15;;;;;;;;;;;;"Tellew JE, Baska RA, Beyer SM, Carlson KE, Cornelius LA, Fadnis L, Gu Z, Kunst BL, Kowala MC, Monshizadegan H, Murugesan N, Ryan CS, Valentine MT, Yang Y, Macor JE.: Discovery of 4'-[(imidazol-1-yl)methyl]biphenyl-2-sulfonamides as dual endothelin/angiotensin II receptor antagonists. Bioorg Med Chem Lett, Volume 13 (6), 2003";ChEMBL
MM476427;MM476427;CCCc1nc(CC)c(C(N)=O)n1Cc1ccc(-c2ccccc2S(=O)(=O)Nc2onc(C)c2C)c(C)c1;;535.67;4.93;9871837;;;CHEMBL12106;CACO;ECACO;25;0;"ph = 7.4, <a href=https://www.ebi.ac.uk/chembl/assay_report_card/CHEMBL656471/  target=_blank>CHEMBL656471</a>";;;;;;;;;-5.4;;;;;;;;;;;;"Tellew JE, Baska RA, Beyer SM, Carlson KE, Cornelius LA, Fadnis L, Gu Z, Kunst BL, Kowala MC, Monshizadegan H, Murugesan N, Ryan CS, Valentine MT, Yang Y, Macor JE.: Discovery of 4'-[(imidazol-1-yl)methyl]biphenyl-2-sulfonamides as dual endothelin/angiotensin II receptor antagonists. Bioorg Med Chem Lett, Volume 13 (6), 2003";ChEMBL
MM476433;MM476433;COc1ncc(OC)c2c(C(=O)C(=O)N3CCN(C(=O)c4ccccc4)CC3)c[nH]c12;DBPMWRYLTBNCCE-UHFFFAOYSA-N;422.44;1.75;507806;;;CHEMBL238103;CACO;ECACO;25;0;"ph = 6.5, <a href=https://www.ebi.ac.uk/chembl/assay_report_card/CHEMBL1039960/  target=_blank>CHEMBL1039960</a>";;;;;;;;;-4.75;;;;;;;;;;;;"Wang T, Yin Z, Zhang Z, Bender JA, Yang Z, Johnson G, Yang Z, Zadjura LM, D'Arienzo CJ, DiGiugno Parker D, Gesenberg C, Yamanaka GA, Gong YF, Ho HT, Fang H, Zhou N, McAuliffe BV, Eggers BJ, Fan L, Nowicka-Sans B, Dicker IB, Gao Q, Colonno RJ, Lin PF, Meanwell NA, Kadow JF.: Inhibitors of human immunodeficiency virus type 1 (HIV-1) attachment. 5. An evolution from indole to azaindoles leading to the discovery of 1-(4-benzoylpiperazin-1-yl)-2-(4,7-dimethoxy-1H-pyrrolo[2,3-c]pyridin-3-yl)ethane-1,2-dione (BMS-488043), a drug candidate that demonstrates antiviral activity in HIV-1-infected subjects. J Med Chem, Volume 52 (23), 2009";ChEMBL
MM476435;MM476435;CCCc1nc(CC)c(C(=O)NC)n1Cc1ccc(-c2ccccc2S(=O)(=O)Nc2onc(C)c2C)c(C)c1;;549.7;5.19;9985001;;;CHEMBL266628;CACO;ECACO;25;0;"ph = 7.4, <a href=https://www.ebi.ac.uk/chembl/assay_report_card/CHEMBL653929/  target=_blank>CHEMBL653929</a>";;;;;;;;;-5.43;;;;;;;;;;;;"Tellew JE, Baska RA, Beyer SM, Carlson KE, Cornelius LA, Fadnis L, Gu Z, Kunst BL, Kowala MC, Monshizadegan H, Murugesan N, Ryan CS, Valentine MT, Yang Y, Macor JE.: Discovery of 4'-[(imidazol-1-yl)methyl]biphenyl-2-sulfonamides as dual endothelin/angiotensin II receptor antagonists. Bioorg Med Chem Lett, Volume 13 (6), 2003";ChEMBL
MM476435;MM476435;CCCc1nc(CC)c(C(=O)NC)n1Cc1ccc(-c2ccccc2S(=O)(=O)Nc2onc(C)c2C)c(C)c1;;549.7;5.19;9985001;;;CHEMBL266628;CACO;ECACO;25;0;"ph = 5.5, <a href=https://www.ebi.ac.uk/chembl/assay_report_card/CHEMBL656470/  target=_blank>CHEMBL656470</a>";;;;;;;;;-5.23;;;;;;;;;;;;"Tellew JE, Baska RA, Beyer SM, Carlson KE, Cornelius LA, Fadnis L, Gu Z, Kunst BL, Kowala MC, Monshizadegan H, Murugesan N, Ryan CS, Valentine MT, Yang Y, Macor JE.: Discovery of 4'-[(imidazol-1-yl)methyl]biphenyl-2-sulfonamides as dual endothelin/angiotensin II receptor antagonists. Bioorg Med Chem Lett, Volume 13 (6), 2003";ChEMBL
MM476436;MM476436;COc1ccnc2[nH]cc(C(=O)C(=O)N3CCN(C(=O)c4ccccc4)CC3C)c12;OKGPFTLYBPQBIX-CQSZACIVSA-N;406.44;2.13;5495818;;;CHEMBL337301;CACO;ECACO;25;0;"ph = 6.5, <a href=https://www.ebi.ac.uk/chembl/assay_report_card/CHEMBL1039960/  target=_blank>CHEMBL1039960</a>";;;;;;;;;-5.29;;;;;;;;;;;;"Wang T, Yin Z, Zhang Z, Bender JA, Yang Z, Johnson G, Yang Z, Zadjura LM, D'Arienzo CJ, DiGiugno Parker D, Gesenberg C, Yamanaka GA, Gong YF, Ho HT, Fang H, Zhou N, McAuliffe BV, Eggers BJ, Fan L, Nowicka-Sans B, Dicker IB, Gao Q, Colonno RJ, Lin PF, Meanwell NA, Kadow JF.: Inhibitors of human immunodeficiency virus type 1 (HIV-1) attachment. 5. An evolution from indole to azaindoles leading to the discovery of 1-(4-benzoylpiperazin-1-yl)-2-(4,7-dimethoxy-1H-pyrrolo[2,3-c]pyridin-3-yl)ethane-1,2-dione (BMS-488043), a drug candidate that demonstrates antiviral activity in HIV-1-infected subjects. J Med Chem, Volume 52 (23), 2009";ChEMBL
MM476439;MM476439;Cc1ccn(CCCCN2CCN(c3cc(C(F)(F)F)nc(C(C)(C)C)n3)CC2)c(=O)c1;RLMADYPUXGWZSL-UHFFFAOYSA-N;451.54;3.87;15949564;;;CHEMBL382773;CACO;ECACO;25;0;"ph = 7.2, <a href=https://www.ebi.ac.uk/chembl/assay_report_card/CHEMBL862323/  target=_blank>CHEMBL862323</a>";;;;;;;;;-5.3;;;;;;;;;;;;"Geneste H, Amberg W, Backfisch G, Beyerbach A, Braje WM, Delzer J, Haupt A, Hutchins CW, King LL, Sauer DR, Unger L, Wernet W.: Synthesis and SAR of highly potent and selective dopamine D3-receptor antagonists: variations on the 1H-pyrimidin-2-one theme. Bioorg Med Chem Lett, Volume 16 (7), 2006";ChEMBL
MM476441;MM476441;CC1CN(C(=O)c2ccccc2)CCN1C(=O)C(=O)c1c[nH]c2ncccc12;CCGWWGUXCYXFJW-CQSZACIVSA-N;376.42;2.12;5495793;;;CHEMBL442078;CACO;ECACO;25;0;"ph = 6.5, <a href=https://www.ebi.ac.uk/chembl/assay_report_card/CHEMBL1039960/  target=_blank>CHEMBL1039960</a>";;;;;;;;;-4.77;;;;;;;;;;;;"Wang T, Yin Z, Zhang Z, Bender JA, Yang Z, Johnson G, Yang Z, Zadjura LM, D'Arienzo CJ, DiGiugno Parker D, Gesenberg C, Yamanaka GA, Gong YF, Ho HT, Fang H, Zhou N, McAuliffe BV, Eggers BJ, Fan L, Nowicka-Sans B, Dicker IB, Gao Q, Colonno RJ, Lin PF, Meanwell NA, Kadow JF.: Inhibitors of human immunodeficiency virus type 1 (HIV-1) attachment. 5. An evolution from indole to azaindoles leading to the discovery of 1-(4-benzoylpiperazin-1-yl)-2-(4,7-dimethoxy-1H-pyrrolo[2,3-c]pyridin-3-yl)ethane-1,2-dione (BMS-488043), a drug candidate that demonstrates antiviral activity in HIV-1-infected subjects. J Med Chem, Volume 52 (23), 2009";ChEMBL
MM476442;MM476442;CC(C)C(C(=O)N(C)C(Cc1ccc(O)c(C(C)(C)C)c1)C(N)=O)N(C)C(=O)C(N)Cc1ccccc1;OFDMWAUVJFHVFQ-LSQMVHIFSA-N;510.68;2.6;44583348;;;CHEMBL496190;CACO;ECACO;25;0;"ph = 6.8, <a href=https://www.ebi.ac.uk/chembl/assay_report_card/CHEMBL1001503/  target=_blank>CHEMBL1001503</a>";;;;;;;;;-5.64;;;;;;;;;;;;"Taka N, Matsuoka H, Sato T, Yoshino H, Imaoka I, Sato H, Kotake K, Kumagai Y, Kamei K, Ozaki K, Higashida A, Kuroki T.: Discovery of novel motilin antagonists: Conversion of tetrapeptide leads to orally available peptidomimetics. Bioorg Med Chem Lett, Volume 19 (13), 2009";ChEMBL
MM476443;MM476443;CC(Cc1ccc(O)c(C(C)(C)C)c1)NC(=O)C(C(C)C)N(C)C(=O)C(N)Cc1ccccc1;HFXVAXVJASZYOM-VPHKFGTKSA-N;467.65;3.79;9956253;;;CHEMBL496191;CACO;ECACO;25;0;"ph = 6.8, <a href=https://www.ebi.ac.uk/chembl/assay_report_card/CHEMBL1001503/  target=_blank>CHEMBL1001503</a>";;;;;;;;;-4.92;;;;;;;;;;;;"Taka N, Matsuoka H, Sato T, Yoshino H, Imaoka I, Sato H, Kotake K, Kumagai Y, Kamei K, Ozaki K, Higashida A, Kuroki T.: Discovery of novel motilin antagonists: Conversion of tetrapeptide leads to orally available peptidomimetics. Bioorg Med Chem Lett, Volume 19 (13), 2009";ChEMBL
MM476444;MM476444;CC1CN(C(=O)c2ccccc2)CCN1C(=O)C(=O)c1c[nH]c2ccccc12;KDUIBMLGMZJDAG-OAHLLOKOSA-N;375.43;2.72;3008866;;;CHEMBL567570;CACO;ECACO;25;0;"ph = 6.5, <a href=https://www.ebi.ac.uk/chembl/assay_report_card/CHEMBL1039960/  target=_blank>CHEMBL1039960</a>";;;;;;;;;-4.77;;;;;;;;;;;;"Wang T, Yin Z, Zhang Z, Bender JA, Yang Z, Johnson G, Yang Z, Zadjura LM, D'Arienzo CJ, DiGiugno Parker D, Gesenberg C, Yamanaka GA, Gong YF, Ho HT, Fang H, Zhou N, McAuliffe BV, Eggers BJ, Fan L, Nowicka-Sans B, Dicker IB, Gao Q, Colonno RJ, Lin PF, Meanwell NA, Kadow JF.: Inhibitors of human immunodeficiency virus type 1 (HIV-1) attachment. 5. An evolution from indole to azaindoles leading to the discovery of 1-(4-benzoylpiperazin-1-yl)-2-(4,7-dimethoxy-1H-pyrrolo[2,3-c]pyridin-3-yl)ethane-1,2-dione (BMS-488043), a drug candidate that demonstrates antiviral activity in HIV-1-infected subjects. J Med Chem, Volume 52 (23), 2009";ChEMBL
MM476446;MM476446;CC1CN(C(=O)c2ccccc2)CCN1C(=O)C(=O)c1c[nH]c2cccnc12;VBVWWMHZQQUOKJ-CQSZACIVSA-N;376.42;2.12;507791;;;CHEMBL585487;CACO;ECACO;25;0;"ph = 6.5, <a href=https://www.ebi.ac.uk/chembl/assay_report_card/CHEMBL1039960/  target=_blank>CHEMBL1039960</a>";;;;;;;;;-5.12;;;;;;;;;;;;"Wang T, Yin Z, Zhang Z, Bender JA, Yang Z, Johnson G, Yang Z, Zadjura LM, D'Arienzo CJ, DiGiugno Parker D, Gesenberg C, Yamanaka GA, Gong YF, Ho HT, Fang H, Zhou N, McAuliffe BV, Eggers BJ, Fan L, Nowicka-Sans B, Dicker IB, Gao Q, Colonno RJ, Lin PF, Meanwell NA, Kadow JF.: Inhibitors of human immunodeficiency virus type 1 (HIV-1) attachment. 5. An evolution from indole to azaindoles leading to the discovery of 1-(4-benzoylpiperazin-1-yl)-2-(4,7-dimethoxy-1H-pyrrolo[2,3-c]pyridin-3-yl)ethane-1,2-dione (BMS-488043), a drug candidate that demonstrates antiviral activity in HIV-1-infected subjects. J Med Chem, Volume 52 (23), 2009";ChEMBL
MM476447;MM476447;CC1CN(C(=O)c2ccccc2)CCN1C(=O)C(=O)c1c[nH]c2ccncc12;ZWGZFELFBFJIHY-CQSZACIVSA-N;376.42;2.12;507751;;;CHEMBL585498;CACO;ECACO;25;0;"ph = 6.5, <a href=https://www.ebi.ac.uk/chembl/assay_report_card/CHEMBL1039960/  target=_blank>CHEMBL1039960</a>";;;;;;;;;-5.72;;;;;;;;;;;;"Wang T, Yin Z, Zhang Z, Bender JA, Yang Z, Johnson G, Yang Z, Zadjura LM, D'Arienzo CJ, DiGiugno Parker D, Gesenberg C, Yamanaka GA, Gong YF, Ho HT, Fang H, Zhou N, McAuliffe BV, Eggers BJ, Fan L, Nowicka-Sans B, Dicker IB, Gao Q, Colonno RJ, Lin PF, Meanwell NA, Kadow JF.: Inhibitors of human immunodeficiency virus type 1 (HIV-1) attachment. 5. An evolution from indole to azaindoles leading to the discovery of 1-(4-benzoylpiperazin-1-yl)-2-(4,7-dimethoxy-1H-pyrrolo[2,3-c]pyridin-3-yl)ethane-1,2-dione (BMS-488043), a drug candidate that demonstrates antiviral activity in HIV-1-infected subjects. J Med Chem, Volume 52 (23), 2009";ChEMBL
MM476458;MM476458;CS(=O)(=O)CCCn1c(Cn2c(=O)n(C3CC3)c3ccncc32)nc2ccccc21;JCKCWXHGOVMLGZ-UHFFFAOYSA-N;425.51;2.37;;;;;CACO;ECACO;25;0;"mean logPerm value, <a href=https://www.ebi.ac.uk/chembl/assay_report_card/CHEMBL891578/  target=_blank>CHEMBL891578</a>";;;;;;;;;-5.49;;;;;;;;;;;;"Yu KL, Sin N, Civiello RL, Wang XA, Combrink KD, Gulgeze HB, Venables BL, Wright JJ, Dalterio RA, Zadjura L, Marino A, Dando S, D'Arienzo C, Kadow KF, Cianci CW, Li Z, Clarke J, Genovesi EV, Medina I, Lamb L, Colonno RJ, Yang Z, Krystal M, Meanwell NA.: Respiratory syncytial virus fusion inhibitors. Part 4: optimization for oral bioavailability. Bioorg Med Chem Lett, Volume 17 (4), 2007";ChEMBL
MM474142;MM474142;O=c1n(Cc2nc3ccccc3n2CCCCO)c2cnccc2n1C1CC1;KSHJXDWYTZJUEI-UHFFFAOYSA-N;377.45;2.7;6478034;;;CHEMBL243876;CACO;ECACO;25;0;"mean logPerm value, <a href=https://www.ebi.ac.uk/chembl/assay_report_card/CHEMBL891578/  target=_blank>CHEMBL891578</a>";;;;;;;;;-4.9;;;;;;;;;;;;"Yu KL, Sin N, Civiello RL, Wang XA, Combrink KD, Gulgeze HB, Venables BL, Wright JJ, Dalterio RA, Zadjura L, Marino A, Dando S, D'Arienzo C, Kadow KF, Cianci CW, Li Z, Clarke J, Genovesi EV, Medina I, Lamb L, Colonno RJ, Yang Z, Krystal M, Meanwell NA.: Respiratory syncytial virus fusion inhibitors. Part 4: optimization for oral bioavailability. Bioorg Med Chem Lett, Volume 17 (4), 2007";ChEMBL
MM476459;MM476459;N#CCCCn1c(Cn2c(=O)n(C3CC3)c3ccncc32)nc2ccccc21;NZRPQYGGRRBSKG-UHFFFAOYSA-N;372.43;3.23;18334715;;;CHEMBL388039;CACO;ECACO;25;0;"mean logPerm value, <a href=https://www.ebi.ac.uk/chembl/assay_report_card/CHEMBL891578/  target=_blank>CHEMBL891578</a>";;;;;;;;;-4.76;;;;;;;;;;;;"Yu KL, Sin N, Civiello RL, Wang XA, Combrink KD, Gulgeze HB, Venables BL, Wright JJ, Dalterio RA, Zadjura L, Marino A, Dando S, D'Arienzo C, Kadow KF, Cianci CW, Li Z, Clarke J, Genovesi EV, Medina I, Lamb L, Colonno RJ, Yang Z, Krystal M, Meanwell NA.: Respiratory syncytial virus fusion inhibitors. Part 4: optimization for oral bioavailability. Bioorg Med Chem Lett, Volume 17 (4), 2007";ChEMBL
MM472369;MM472369;O=C(O)COCCN1CCN(C(c2ccccc2)c2ccc(Cl)cc2)CC1;ZKLPARSLTMPFCP-UHFFFAOYSA-N;388.9;3.15;;;;;GENER;EPAM;25;0;"ph = 6.5, <a href=https://www.ebi.ac.uk/chembl/assay_report_card/CHEMBL1046150/  target=_blank>CHEMBL1046150</a>";;;;;;;;;-4.38;;;;;;;;;;;;"Tam KY, Avdeef A, Tsinman O, Sun N.: The permeation of amphoteric drugs through artificial membranes--an in combo absorption model based on paracellular and transmembrane permeability. J Med Chem, Volume 53 (1), 392-401, 2010";ChEMBL
MM472958;MM472958;COc1cc2c(c(OC)c1OC)-c1ccc(OC)c(=O)cc1[C@@H](NC(C)=O)CC2;IAKHMKGGTNLKSZ-INIZCTEOSA-N;399.44;2.87;;;;;GENER;EPAM;25;0;"<a href=https://www.ebi.ac.uk/chembl/assay_report_card/CHEMBL963000/  target=_blank>CHEMBL963000</a>";;;;;;;;;-3.38;;;;;;;;;;;;"Arnold LA, Ranaivo P, Guy RK.: Synthesis and characterization of BODIPY-labeled colchicine. Bioorg Med Chem Lett, Volume 18 (22), 2008";ChEMBL
MM473032;MM473032;Cc1ncn2c1Cn1ncnc1-c1cc(Cl)ccc1-2;FVIWEOUHYRAQKY-UHFFFAOYSA-N;271.71;2.45;11572585;;;CHEMBL1077381;GENER;EPAM;25;0;"<a href=https://www.ebi.ac.uk/chembl/assay_report_card/CHEMBL1111373/  target=_blank>CHEMBL1111373</a>";;;;;;;;;-5.05;;;;;;;;;;;;"Knust H, Achermann G, Ballard T, Buettelmann B, Gasser R, Fischer H, Hernandez MC, Knoflach F, Koblet A, Stadler H, Thomas AW, Trube G, Waldmeier P.: The discovery and unique pharmacological profile of RO4938581 and RO4882224 as potent and selective GABAA alpha5 inverse agonists for the treatment of cognitive dysfunction. Bioorg Med Chem Lett, Volume 19 (20), 2009";ChEMBL
MM473033;MM473033;Clc1ccc2c(c1)-c1ncnn1Cc1c(Cl)ncn1-2;VVBYXJYBLBPAEN-UHFFFAOYSA-N;292.13;2.8;11673720;;;CHEMBL1077391;GENER;EPAM;25;0;"<a href=https://www.ebi.ac.uk/chembl/assay_report_card/CHEMBL1111373/  target=_blank>CHEMBL1111373</a>";;;;;;;;;-5.19;;;;;;;;;;;;"Knust H, Achermann G, Ballard T, Buettelmann B, Gasser R, Fischer H, Hernandez MC, Knoflach F, Koblet A, Stadler H, Thomas AW, Trube G, Waldmeier P.: The discovery and unique pharmacological profile of RO4938581 and RO4882224 as potent and selective GABAA alpha5 inverse agonists for the treatment of cognitive dysfunction. Bioorg Med Chem Lett, Volume 19 (20), 2009";ChEMBL
MM473051;MM473051;CCOc1cc(CN2CCC(Nc3nc4cc(NS(=O)(=O)c5ccccc5)ccc4o3)CC2)ccc1OC;FPAJMJGGDZGJPZ-UHFFFAOYSA-N;536.65;5.11;46882181;;;CHEMBL1077908;GENER;EPAM;25;0;"<a href=https://www.ebi.ac.uk/chembl/assay_report_card/CHEMBL1113042/  target=_blank>CHEMBL1113042</a>";;;;;;;;;-5.66;;;;;;;;;;;;"Martin RE, Mohr P, Maerki HP, Guba W, Kuratli C, Gavelle O, Binggeli A, Bendels S, Alvarez-Sánchez R, Alker A, Polonchuk L, Christ AD.: Benzoxazole piperidines as selective and potent somatostatin receptor subtype 5 antagonists. Bioorg Med Chem Lett, Volume 19 (21), 2009";ChEMBL
MM473045;MM473045;CCOc1cc(CN2CCC(Nc3nc4cc(Cl)c(S(N)(=O)=O)cc4o3)CC2)ccc1OC;GWSJPOPJXLJSLF-UHFFFAOYSA-N;495;3.61;46882664;;;CHEMBL1078240;GENER;EPAM;25;0;"<a href=https://www.ebi.ac.uk/chembl/assay_report_card/CHEMBL1113042/  target=_blank>CHEMBL1113042</a>";;;;;;;;;-5.96;;;;;;;;;;;;"Martin RE, Mohr P, Maerki HP, Guba W, Kuratli C, Gavelle O, Binggeli A, Bendels S, Alvarez-Sánchez R, Alker A, Polonchuk L, Christ AD.: Benzoxazole piperidines as selective and potent somatostatin receptor subtype 5 antagonists. Bioorg Med Chem Lett, Volume 19 (21), 2009";ChEMBL
MM473034;MM473034;Cc1ncn2c1Cn1ncnc1-c1cc(Br)ccc1-2;PVBWXOPKUUTANH-UHFFFAOYSA-N;316.16;2.56;46882232;;;CHEMBL1078580;GENER;EPAM;25;0;"<a href=https://www.ebi.ac.uk/chembl/assay_report_card/CHEMBL1111373/  target=_blank>CHEMBL1111373</a>";;;;;;;;;-5.12;;;;;;;;;;;;"Knust H, Achermann G, Ballard T, Buettelmann B, Gasser R, Fischer H, Hernandez MC, Knoflach F, Koblet A, Stadler H, Thomas AW, Trube G, Waldmeier P.: The discovery and unique pharmacological profile of RO4938581 and RO4882224 as potent and selective GABAA alpha5 inverse agonists for the treatment of cognitive dysfunction. Bioorg Med Chem Lett, Volume 19 (20), 2009";ChEMBL
MM473048;MM473048;CCOc1cc(CN2CCC(Nc3nc4ccccc4o3)CC2)cc(OC2CCOCC2)c1;FDVIZOQPGHRQNB-UHFFFAOYSA-N;451.57;4.86;11848625;;;CHEMBL1078745;GENER;EPAM;25;0;"<a href=https://www.ebi.ac.uk/chembl/assay_report_card/CHEMBL1113042/  target=_blank>CHEMBL1113042</a>";;;;;;;;;-5.69;;;;;;;;;;;;"Martin RE, Mohr P, Maerki HP, Guba W, Kuratli C, Gavelle O, Binggeli A, Bendels S, Alvarez-Sánchez R, Alker A, Polonchuk L, Christ AD.: Benzoxazole piperidines as selective and potent somatostatin receptor subtype 5 antagonists. Bioorg Med Chem Lett, Volume 19 (21), 2009";ChEMBL
MM473049;MM473049;CCOc1cc(CN2CCC(Nc3nc4cc(NC(=O)C5CCC5)ccc4o3)CC2)ccc1OC;YTIWDXUZCLTCIF-UHFFFAOYSA-N;478.59;5.05;46882133;;;CHEMBL1078896;GENER;EPAM;25;0;"<a href=https://www.ebi.ac.uk/chembl/assay_report_card/CHEMBL1113042/  target=_blank>CHEMBL1113042</a>";;;;;;;;;-5.96;;;;;;;;;;;;"Martin RE, Mohr P, Maerki HP, Guba W, Kuratli C, Gavelle O, Binggeli A, Bendels S, Alvarez-Sánchez R, Alker A, Polonchuk L, Christ AD.: Benzoxazole piperidines as selective and potent somatostatin receptor subtype 5 antagonists. Bioorg Med Chem Lett, Volume 19 (21), 2009";ChEMBL
MM473035;MM473035;Clc1ncn2c1Cn1ncnc1-c1cc(Br)ccc1-2;LLJUUCOIBTZXIJ-UHFFFAOYSA-N;336.58;2.91;11522889;;;CHEMBL1078985;GENER;EPAM;25;0;"<a href=https://www.ebi.ac.uk/chembl/assay_report_card/CHEMBL1111373/  target=_blank>CHEMBL1111373</a>";;;;;;;;;-5.15;;;;;;;;;;;;"Knust H, Achermann G, Ballard T, Buettelmann B, Gasser R, Fischer H, Hernandez MC, Knoflach F, Koblet A, Stadler H, Thomas AW, Trube G, Waldmeier P.: The discovery and unique pharmacological profile of RO4938581 and RO4882224 as potent and selective GABAA alpha5 inverse agonists for the treatment of cognitive dysfunction. Bioorg Med Chem Lett, Volume 19 (20), 2009";ChEMBL
MM473050;MM473050;CCOc1cc(CN2CCC(Nc3nc4cc(Cl)c(S(N)(=O)=O)cc4o3)CC2)ccc1F;WCUAFHYQNZBNRN-UHFFFAOYSA-N;482.97;3.74;46882180;;;CHEMBL1079180;GENER;EPAM;25;0;"<a href=https://www.ebi.ac.uk/chembl/assay_report_card/CHEMBL1113042/  target=_blank>CHEMBL1113042</a>";;;;;;;;;-5.61;;;;;;;;;;;;"Martin RE, Mohr P, Maerki HP, Guba W, Kuratli C, Gavelle O, Binggeli A, Bendels S, Alvarez-Sánchez R, Alker A, Polonchuk L, Christ AD.: Benzoxazole piperidines as selective and potent somatostatin receptor subtype 5 antagonists. Bioorg Med Chem Lett, Volume 19 (21), 2009";ChEMBL
MM473043;MM473043;CCOc1cc(CN2CCC(Nc3nc4cc(S(=O)(=O)CC)ccc4o3)CC2)ccc1OC;KLQBJPKPQBLAOR-UHFFFAOYSA-N;473.6;4.11;46882578;;;CHEMBL1079313;GENER;EPAM;25;0;"<a href=https://www.ebi.ac.uk/chembl/assay_report_card/CHEMBL1113042/  target=_blank>CHEMBL1113042</a>";;;;;;;;;-5.79;;;;;;;;;;;;"Martin RE, Mohr P, Maerki HP, Guba W, Kuratli C, Gavelle O, Binggeli A, Bendels S, Alvarez-Sánchez R, Alker A, Polonchuk L, Christ AD.: Benzoxazole piperidines as selective and potent somatostatin receptor subtype 5 antagonists. Bioorg Med Chem Lett, Volume 19 (21), 2009";ChEMBL
MM473052;MM473052;CCOc1cc(CN2CCC(Nc3nc4cc(S(=O)(=O)N(C)C)ccc4o3)CC2)cc(OCC)c1-n1cccc1;NYMPDEKHLLUZPU-UHFFFAOYSA-N;567.71;4.74;46882182;;;CHEMBL1079686;GENER;EPAM;25;0;"<a href=https://www.ebi.ac.uk/chembl/assay_report_card/CHEMBL1113042/  target=_blank>CHEMBL1113042</a>";;;;;;;;;-5.88;;;;;;;;;;;;"Martin RE, Mohr P, Maerki HP, Guba W, Kuratli C, Gavelle O, Binggeli A, Bendels S, Alvarez-Sánchez R, Alker A, Polonchuk L, Christ AD.: Benzoxazole piperidines as selective and potent somatostatin receptor subtype 5 antagonists. Bioorg Med Chem Lett, Volume 19 (21), 2009";ChEMBL
MM473060;MM473060;CCOc1cc(CN2CCC(Nc3nc4ccc(C(=O)O)cc4o3)CC2)cc(OCC)c1F;GPUPSEARQVSUKB-UHFFFAOYSA-N;457.5;4.54;16062555;;;CHEMBL1079874;GENER;EPAM;25;0;"<a href=https://www.ebi.ac.uk/chembl/assay_report_card/CHEMBL1113042/  target=_blank>CHEMBL1113042</a>";;;;;;;;;-5.54;;;;;;;;;;;;"Martin RE, Mohr P, Maerki HP, Guba W, Kuratli C, Gavelle O, Binggeli A, Bendels S, Alvarez-Sánchez R, Alker A, Polonchuk L, Christ AD.: Benzoxazole piperidines as selective and potent somatostatin receptor subtype 5 antagonists. Bioorg Med Chem Lett, Volume 19 (21), 2009";ChEMBL
Carbamazepine;MM00341;NC(=O)N1c2ccccc2C=Cc2ccccc21;FFGPTBGBLSHEPO-UHFFFAOYSA-N;236.27;3.39;2554;DB00564;;CHEMBL108;GENER;EPAM;25;0;"<a href=https://www.ebi.ac.uk/chembl/assay_report_card/CHEMBL1176651/  target=_blank>CHEMBL1176651</a>";;;;;;;;;-4.7;;;;;;;;;;;;"Mahindroo N, Connelly MC, Punchihewa C, Yang L, Yan B, Fujii N.: Amide conjugates of ketoprofen and indole as inhibitors of Gli1-mediated transcription in the Hedgehog pathway. Bioorg Med Chem, Volume 18 (13), 2010";ChEMBL
Carbamazepine;MM00341;NC(=O)N1c2ccccc2C=Cc2ccccc21;FFGPTBGBLSHEPO-UHFFFAOYSA-N;236.27;3.39;2554;DB00564;;CHEMBL108;GENER;EPAM;25;0;"ph = 7.4, <a href=https://www.ebi.ac.uk/chembl/assay_report_card/CHEMBL1056608/  target=_blank>CHEMBL1056608</a>";;;;;;;;;-5.8;;;;;;;;;;;;"Dreassi E, Zizzari AT, Falchi F, Schenone S, Santucci A, Maga G, Botta M.: Determination of permeability and lipophilicity of pyrazolo-pyrimidine tyrosine kinase inhibitors and correlation with biological data. Eur J Med Chem, Volume 44 (9), 2009";ChEMBL
Carbamazepine;MM00341;NC(=O)N1c2ccccc2C=Cc2ccccc21;FFGPTBGBLSHEPO-UHFFFAOYSA-N;236.27;3.39;2554;DB00564;;CHEMBL108;GENER;EPAM;25;0;"ph = 4, <a href=https://www.ebi.ac.uk/chembl/assay_report_card/CHEMBL3270246/  target=_blank>CHEMBL3270246</a>";;;;;;;;;-3.97;;;;;;;;;;;;"Van Horn KS, Burda WN, Fleeman R, Shaw LN, Manetsch R.: Antibacterial activity of a series of N2,N4-disubstituted quinazoline-2,4-diamines. J Med Chem, Volume 57 (7), 2014";ChEMBL
Carbamazepine;MM00341;NC(=O)N1c2ccccc2C=Cc2ccccc21;FFGPTBGBLSHEPO-UHFFFAOYSA-N;236.27;3.39;2554;DB00564;;CHEMBL108;GENER;EPAM;25;0;"ph = 7.4, <a href=https://www.ebi.ac.uk/chembl/assay_report_card/CHEMBL3270245/  target=_blank>CHEMBL3270245</a>";;;;;;;;;-3.89;;;;;;;;;;;;"Van Horn KS, Burda WN, Fleeman R, Shaw LN, Manetsch R.: Antibacterial activity of a series of N2,N4-disubstituted quinazoline-2,4-diamines. J Med Chem, Volume 57 (7), 2014";ChEMBL
Carbamazepine;MM00341;NC(=O)N1c2ccccc2C=Cc2ccccc21;FFGPTBGBLSHEPO-UHFFFAOYSA-N;236.27;3.39;2554;DB00564;;CHEMBL108;GENER;EPAM;25;0;"ph = 4, <a href=https://www.ebi.ac.uk/chembl/assay_report_card/CHEMBL3370148/  target=_blank>CHEMBL3370148</a>";;;;;;;;;-3.97;;;;;;;;;;;;"Cross RM, Flanigan DL, Monastyrskyi A, LaCrue AN, Sáenz FE, Maignan JR, Mutka TS, White KL, Shackleford DM, Bathurst I, Fronczek FR, Wojtas L, Guida WC, Charman SA, Burrows JN, Kyle DE, Manetsch R.: Orally bioavailable 6-chloro-7-methoxy-4(1H)-quinolones efficacious against multiple stages of Plasmodium. J Med Chem, Volume 57 (21), 2014";ChEMBL
Carbamazepine;MM00341;NC(=O)N1c2ccccc2C=Cc2ccccc21;FFGPTBGBLSHEPO-UHFFFAOYSA-N;236.27;3.39;2554;DB00564;;CHEMBL108;GENER;EPAM;25;0;"ph = 7.4, <a href=https://www.ebi.ac.uk/chembl/assay_report_card/CHEMBL3370143/  target=_blank>CHEMBL3370143</a>";;;;;;;;;-3.95;;;;;;;;;;;;"Cross RM, Flanigan DL, Monastyrskyi A, LaCrue AN, Sáenz FE, Maignan JR, Mutka TS, White KL, Shackleford DM, Bathurst I, Fronczek FR, Wojtas L, Guida WC, Charman SA, Burrows JN, Kyle DE, Manetsch R.: Orally bioavailable 6-chloro-7-methoxy-4(1H)-quinolones efficacious against multiple stages of Plasmodium. J Med Chem, Volume 57 (21), 2014";ChEMBL
MM473036;MM473036;FC(F)c1ncn2c1Cn1ncnc1-c1cc(Cl)ccc1-2;KBFYDAGNYWSKLZ-UHFFFAOYSA-N;307.69;3.08;11544050;;;CHEMBL1080412;GENER;EPAM;25;0;"<a href=https://www.ebi.ac.uk/chembl/assay_report_card/CHEMBL1111373/  target=_blank>CHEMBL1111373</a>";;;;;;;;;-5.2;;;;;;;;;;;;"Knust H, Achermann G, Ballard T, Buettelmann B, Gasser R, Fischer H, Hernandez MC, Knoflach F, Koblet A, Stadler H, Thomas AW, Trube G, Waldmeier P.: The discovery and unique pharmacological profile of RO4938581 and RO4882224 as potent and selective GABAA alpha5 inverse agonists for the treatment of cognitive dysfunction. Bioorg Med Chem Lett, Volume 19 (20), 2009";ChEMBL
MM473063;MM473063;Cc1ncn2c1Cn1nc(CN3CCCC3=O)nc1-c1cc(Br)ccc1-2;VYEPAZHUFFXYDH-UHFFFAOYSA-N;413.28;2.69;44610734;;;CHEMBL1080575;GENER;EPAM;25;0;"<a href=https://www.ebi.ac.uk/chembl/assay_report_card/CHEMBL1111461/  target=_blank>CHEMBL1111461</a>";;;;;;;;;-5.82;;;;;;;;;;;;"Buettelmann B, Ballard TM, Gasser R, Fischer H, Hernandez MC, Knoflach F, Knust H, Stadler H, Thomas AW, Trube G.: Imidazo[1,5-a][1,2,4]-triazolo[1,5-d][1,4]benzodiazepines as potent and highly selective GABAA alpha5 inverse agonists with potential for the treatment of cognitive dysfunction. Bioorg Med Chem Lett, Volume 19 (20), 2009";ChEMBL
MM473061;MM473061;Cc1cc(Cc2nc3n(n2)Cc2c(C)ncn2-c2ccc(Br)cc2-3)on1;GRHSJPRDKRVXDK-UHFFFAOYSA-N;411.26;3.45;16117091;;;CHEMBL1080576;GENER;EPAM;25;0;"<a href=https://www.ebi.ac.uk/chembl/assay_report_card/CHEMBL1111461/  target=_blank>CHEMBL1111461</a>";;;;;;;;;-5.48;;;;;;;;;;;;"Buettelmann B, Ballard TM, Gasser R, Fischer H, Hernandez MC, Knoflach F, Knust H, Stadler H, Thomas AW, Trube G.: Imidazo[1,5-a][1,2,4]-triazolo[1,5-d][1,4]benzodiazepines as potent and highly selective GABAA alpha5 inverse agonists with potential for the treatment of cognitive dysfunction. Bioorg Med Chem Lett, Volume 19 (20), 2009";ChEMBL
MM473057;MM473057;CCOc1cc(CN2CCC(Nc3nc4cc(C(N)=O)ccc4o3)CC2)cc(OCC)c1F;FABHJNZNOHUOSL-UHFFFAOYSA-N;456.52;3.94;11848835;;;CHEMBL1080584;GENER;EPAM;25;0;"<a href=https://www.ebi.ac.uk/chembl/assay_report_card/CHEMBL1113042/  target=_blank>CHEMBL1113042</a>";;;;;;;;;-5.79;;;;;;;;;;;;"Martin RE, Mohr P, Maerki HP, Guba W, Kuratli C, Gavelle O, Binggeli A, Bendels S, Alvarez-Sánchez R, Alker A, Polonchuk L, Christ AD.: Benzoxazole piperidines as selective and potent somatostatin receptor subtype 5 antagonists. Bioorg Med Chem Lett, Volume 19 (21), 2009";ChEMBL
MM473058;MM473058;CCOc1cc(CN2CCC(Nc3nc4cc(C(=O)O)ccc4o3)CC2)cc(OCC)c1Cl;DDDLCIAZEXUUFD-UHFFFAOYSA-N;473.96;5.05;16062816;;;CHEMBL1080585;GENER;EPAM;25;0;"<a href=https://www.ebi.ac.uk/chembl/assay_report_card/CHEMBL1113042/  target=_blank>CHEMBL1113042</a>";;;;;;;;;-5.68;;;;;;;;;;;;"Martin RE, Mohr P, Maerki HP, Guba W, Kuratli C, Gavelle O, Binggeli A, Bendels S, Alvarez-Sánchez R, Alker A, Polonchuk L, Christ AD.: Benzoxazole piperidines as selective and potent somatostatin receptor subtype 5 antagonists. Bioorg Med Chem Lett, Volume 19 (21), 2009";ChEMBL
MM473059;MM473059;CCOc1cc(CN2CCC(Nc3nc4ccc(C(=O)O)cc4o3)CC2)ccc1Cl;MUGBUVZHEILUBD-UHFFFAOYSA-N;429.9;4.65;16062553;;;CHEMBL1080586;GENER;EPAM;25;0;"<a href=https://www.ebi.ac.uk/chembl/assay_report_card/CHEMBL1113042/  target=_blank>CHEMBL1113042</a>";;;;;;;;;-5.44;;;;;;;;;;;;"Martin RE, Mohr P, Maerki HP, Guba W, Kuratli C, Gavelle O, Binggeli A, Bendels S, Alvarez-Sánchez R, Alker A, Polonchuk L, Christ AD.: Benzoxazole piperidines as selective and potent somatostatin receptor subtype 5 antagonists. Bioorg Med Chem Lett, Volume 19 (21), 2009";ChEMBL
MM473037;MM473037;FC(F)c1ncn2c1Cn1ncnc1-c1cc(Br)ccc1-2;AFJRYPJIKHMNGL-UHFFFAOYSA-N;352.14;3.19;11624499;;;CHEMBL1080588;GENER;EPAM;25;0;"<a href=https://www.ebi.ac.uk/chembl/assay_report_card/CHEMBL1111373/  target=_blank>CHEMBL1111373</a>";;;;;;;;;-5.15;;;;;;;;;;;;"Knust H, Achermann G, Ballard T, Buettelmann B, Gasser R, Fischer H, Hernandez MC, Knoflach F, Koblet A, Stadler H, Thomas AW, Trube G, Waldmeier P.: The discovery and unique pharmacological profile of RO4938581 and RO4882224 as potent and selective GABAA alpha5 inverse agonists for the treatment of cognitive dysfunction. Bioorg Med Chem Lett, Volume 19 (20), 2009";ChEMBL
MM473054;MM473054;CCOc1cc(CN2CCC(Nc3nc4cc(Cl)c(S(N)(=O)=O)cc4o3)CC2)cc(OCC)c1F;IEMOENSJCRZHOW-UHFFFAOYSA-N;527.02;4.14;46882225;;;CHEMBL1080950;GENER;EPAM;25;0;"<a href=https://www.ebi.ac.uk/chembl/assay_report_card/CHEMBL1113042/  target=_blank>CHEMBL1113042</a>";;;;;;;;;-5.61;;;;;;;;;;;;"Martin RE, Mohr P, Maerki HP, Guba W, Kuratli C, Gavelle O, Binggeli A, Bendels S, Alvarez-Sánchez R, Alker A, Polonchuk L, Christ AD.: Benzoxazole piperidines as selective and potent somatostatin receptor subtype 5 antagonists. Bioorg Med Chem Lett, Volume 19 (21), 2009";ChEMBL
MM473055;MM473055;CCOc1cc(CN2CCC(Nc3nc4ccc(Cl)cc4o3)CC2)ccc1Cl;HXNRUSVXJFFABV-UHFFFAOYSA-N;420.34;5.61;46882226;;;CHEMBL1080951;GENER;EPAM;25;0;"<a href=https://www.ebi.ac.uk/chembl/assay_report_card/CHEMBL1113042/  target=_blank>CHEMBL1113042</a>";;;;;;;;;-5.32;;;;;;;;;;;;"Martin RE, Mohr P, Maerki HP, Guba W, Kuratli C, Gavelle O, Binggeli A, Bendels S, Alvarez-Sánchez R, Alker A, Polonchuk L, Christ AD.: Benzoxazole piperidines as selective and potent somatostatin receptor subtype 5 antagonists. Bioorg Med Chem Lett, Volume 19 (21), 2009";ChEMBL
MM473056;MM473056;CCOc1cc(CN2CCC(Nc3nc4cc(NS(=O)(=O)c5cn(C)cn5)ccc4o3)CC2)ccc1OC;STGHOEAVSSPORB-UHFFFAOYSA-N;540.65;3.85;46882227;;;CHEMBL1081133;GENER;EPAM;25;0;"<a href=https://www.ebi.ac.uk/chembl/assay_report_card/CHEMBL1113042/  target=_blank>CHEMBL1113042</a>";;;;;;;;;-6.31;;;;;;;;;;;;"Martin RE, Mohr P, Maerki HP, Guba W, Kuratli C, Gavelle O, Binggeli A, Bendels S, Alvarez-Sánchez R, Alker A, Polonchuk L, Christ AD.: Benzoxazole piperidines as selective and potent somatostatin receptor subtype 5 antagonists. Bioorg Med Chem Lett, Volume 19 (21), 2009";ChEMBL
MM473062;MM473062;Cc1cc(Cc2nc3n(n2)Cc2c(C)ncn2-c2ccc(Cl)cc2-3)on1;OABMKUYJAYGQHV-UHFFFAOYSA-N;366.81;3.34;16117094;;;CHEMBL1081862;GENER;EPAM;25;0;"<a href=https://www.ebi.ac.uk/chembl/assay_report_card/CHEMBL1111461/  target=_blank>CHEMBL1111461</a>";;;;;;;;;-5.51;;;;;;;;;;;;"Buettelmann B, Ballard TM, Gasser R, Fischer H, Hernandez MC, Knoflach F, Knust H, Stadler H, Thomas AW, Trube G.: Imidazo[1,5-a][1,2,4]-triazolo[1,5-d][1,4]benzodiazepines as potent and highly selective GABAA alpha5 inverse agonists with potential for the treatment of cognitive dysfunction. Bioorg Med Chem Lett, Volume 19 (20), 2009";ChEMBL
MM473053;MM473053;CCOc1cc(CN2CCC(Nc3nc4cc(S(=O)(=O)CC)ccc4o3)CC2)cc(OC2CCOCC2)c1;FRDOPYUUNJUZKI-UHFFFAOYSA-N;543.69;4.65;46882224;;;CHEMBL1082036;GENER;EPAM;25;0;"<a href=https://www.ebi.ac.uk/chembl/assay_report_card/CHEMBL1113042/  target=_blank>CHEMBL1113042</a>";;;;;;;;;-5.76;;;;;;;;;;;;"Martin RE, Mohr P, Maerki HP, Guba W, Kuratli C, Gavelle O, Binggeli A, Bendels S, Alvarez-Sánchez R, Alker A, Polonchuk L, Christ AD.: Benzoxazole piperidines as selective and potent somatostatin receptor subtype 5 antagonists. Bioorg Med Chem Lett, Volume 19 (21), 2009";ChEMBL
MM473072;MM473072;COc1ccc2c(c1)CCc1cnc(Nc3ccc(S(N)(=O)=O)cc3)nc1-2;LZHPQDAZPOPFGO-UHFFFAOYSA-N;382.45;2.64;46871628;;;CHEMBL1082512;GENER;EPAM;25;0;"<a href=https://www.ebi.ac.uk/chembl/assay_report_card/CHEMBL1120482/  target=_blank>CHEMBL1120482</a>";;;;;;;;;-5.74;;;;;;;;;;;;"Crombie AL, Sum FW, Powell DW, Hopper DW, Torres N, Berger DM, Zhang Y, Gavriil M, Sadler TM, Arndt K.: Synthesis and biological evaluation of tricyclic anilinopyrimidines as IKKbeta inhibitors. Bioorg Med Chem Lett, Volume 20 (12), 2010";ChEMBL
MM473073;MM473073;CC(C)(C)CC(=O)Nc1ccc(-c2ccnc(Nc3ccc(S(N)(=O)=O)cc3)n2)cc1;OTPAEAQVAUSARI-UHFFFAOYSA-N;439.54;3.91;46890183;;;CHEMBL1082834;GENER;EPAM;25;0;"<a href=https://www.ebi.ac.uk/chembl/assay_report_card/CHEMBL1120482/  target=_blank>CHEMBL1120482</a>";;;;;;;;;-6.22;;;;;;;;;;;;"Crombie AL, Sum FW, Powell DW, Hopper DW, Torres N, Berger DM, Zhang Y, Gavriil M, Sadler TM, Arndt K.: Synthesis and biological evaluation of tricyclic anilinopyrimidines as IKKbeta inhibitors. Bioorg Med Chem Lett, Volume 20 (12), 2010";ChEMBL
MM473069;MM473069;COc1ccc(-c2nc3ncc(Br)c(N4CCN(Cc5cc(C)on5)CC4)c3[nH]2)cc1;SEYBFHKBOFYLIF-UHFFFAOYSA-N;483.37;4.01;46866788;;;CHEMBL1083774;GENER;EPAM;25;0;"<a href=https://www.ebi.ac.uk/chembl/assay_report_card/CHEMBL1118608/  target=_blank>CHEMBL1118608</a>";;;;;;;;;-5.22;;;;;;;;;;;;"Bavetsias V, Large JM, Sun C, Bouloc N, Kosmopoulou M, Matteucci M, Wilsher NE, Martins V, Reynisson J, Atrash B, Faisal A, Urban F, Valenti M, de Haven Brandon A, Box G, Raynaud FI, Workman P, Eccles SA, Bayliss R, Blagg J, Linardopoulos S, McDonald E.: Imidazo[4,5-b]pyridine derivatives as inhibitors of Aurora kinases: lead optimization studies toward the identification of an orally bioavailable preclinical development candidate. J Med Chem, Volume 53 (14), 2010";ChEMBL
MM473071;MM473071;NS(=O)(=O)c1ccc(Nc2ncc3c(n2)-c2ccccc2CC3)cc1;HVDBCHMIMRDBOY-UHFFFAOYSA-N;352.42;2.63;46890182;;;CHEMBL1084345;GENER;EPAM;25;0;"<a href=https://www.ebi.ac.uk/chembl/assay_report_card/CHEMBL1120482/  target=_blank>CHEMBL1120482</a>";;;;;;;;;-5.53;;;;;;;;;;;;"Crombie AL, Sum FW, Powell DW, Hopper DW, Torres N, Berger DM, Zhang Y, Gavriil M, Sadler TM, Arndt K.: Synthesis and biological evaluation of tricyclic anilinopyrimidines as IKKbeta inhibitors. Bioorg Med Chem Lett, Volume 20 (12), 2010";ChEMBL
MM473077;MM473077;NS(=O)(=O)c1ccc(Nc2ncc3c(n2)-c2ccc(NC(=O)Cc4cccs4)cc2CC3)cc1;DQNWHAFSYYXPIU-UHFFFAOYSA-N;491.6;3.88;46871625;;;CHEMBL1084361;GENER;EPAM;25;0;"<a href=https://www.ebi.ac.uk/chembl/assay_report_card/CHEMBL1120482/  target=_blank>CHEMBL1120482</a>";;;;;;;;;-6.29;;;;;;;;;;;;"Crombie AL, Sum FW, Powell DW, Hopper DW, Torres N, Berger DM, Zhang Y, Gavriil M, Sadler TM, Arndt K.: Synthesis and biological evaluation of tricyclic anilinopyrimidines as IKKbeta inhibitors. Bioorg Med Chem Lett, Volume 20 (12), 2010";ChEMBL
MM473031;MM473031;Cc1c(Nc2c(C#N)cncc2C=Cc2cccc(CN3CCN(C)CC3)n2)ccc2[nH]ccc12;RDFXBYJUHGEYHA-VOTSOKGWSA-N;463.59;4.8;46846072;;;CHEMBL1084411;GENER;EPAM;25;0;"<a href=https://www.ebi.ac.uk/chembl/assay_report_card/CHEMBL1105151/  target=_blank>CHEMBL1105151</a>";;;;;;;;;-6.41;;;;;;;;;;;;"Boschelli DH, Subrath J, Niu C, Wu B, Wang Y, Lee J, Brennan A, Ho M, Deng B, Yang X, Xu X, Leung L, Wang J, Atherton J, Chaudhary D.: Optimization of 5-vinylaryl-3-pyridinecarbonitriles as PKCtheta inhibitors. Bioorg Med Chem Lett, Volume 20 (6), 2010";ChEMBL
MM473070;MM473070;NS(=O)(=O)c1ccc(Nc2nccc(-c3ccccc3)n2)cc1;UTWPAZWEWWLNMF-UHFFFAOYSA-N;326.38;2.53;11558904;;;CHEMBL1084863;GENER;EPAM;25;0;"<a href=https://www.ebi.ac.uk/chembl/assay_report_card/CHEMBL1120482/  target=_blank>CHEMBL1120482</a>";;;;;;;;;-5.65;;;;;;;;;;;;"Crombie AL, Sum FW, Powell DW, Hopper DW, Torres N, Berger DM, Zhang Y, Gavriil M, Sadler TM, Arndt K.: Synthesis and biological evaluation of tricyclic anilinopyrimidines as IKKbeta inhibitors. Bioorg Med Chem Lett, Volume 20 (12), 2010";ChEMBL
MM473078;MM473078;NS(=O)(=O)c1ccc(Nc2nccc(-c3ccsc3)n2)cc1;JUIXZPWSSOKEIF-UHFFFAOYSA-N;332.41;2.6;46890318;;;CHEMBL1084970;GENER;EPAM;25;0;"<a href=https://www.ebi.ac.uk/chembl/assay_report_card/CHEMBL1120482/  target=_blank>CHEMBL1120482</a>";;;;;;;;;-6.3;;;;;;;;;;;;"Crombie AL, Sum FW, Powell DW, Hopper DW, Torres N, Berger DM, Zhang Y, Gavriil M, Sadler TM, Arndt K.: Synthesis and biological evaluation of tricyclic anilinopyrimidines as IKKbeta inhibitors. Bioorg Med Chem Lett, Volume 20 (12), 2010";ChEMBL
MM473075;MM473075;NS(=O)(=O)c1ccc(Nc2ncc3c(n2)-c2ccc(NC(=O)Cc4ccccc4)cc2CC3)cc1;GWKNVUMQTXBYAR-UHFFFAOYSA-N;485.57;3.81;46890213;;;CHEMBL1085121;GENER;EPAM;25;0;"<a href=https://www.ebi.ac.uk/chembl/assay_report_card/CHEMBL1120482/  target=_blank>CHEMBL1120482</a>";;;;;;;;;-5.47;;;;;;;;;;;;"Crombie AL, Sum FW, Powell DW, Hopper DW, Torres N, Berger DM, Zhang Y, Gavriil M, Sadler TM, Arndt K.: Synthesis and biological evaluation of tricyclic anilinopyrimidines as IKKbeta inhibitors. Bioorg Med Chem Lett, Volume 20 (12), 2010";ChEMBL
MM473076;MM473076;NS(=O)(=O)c1ccc(Nc2nccc(-c3ccc(NC(=O)Cc4cccs4)cc3)n2)cc1;MZUCCTLUJWKQJY-UHFFFAOYSA-N;465.56;3.78;11719652;;;CHEMBL1085122;GENER;EPAM;25;0;"<a href=https://www.ebi.ac.uk/chembl/assay_report_card/CHEMBL1120482/  target=_blank>CHEMBL1120482</a>";;;;;;;;;-6.52;;;;;;;;;;;;"Crombie AL, Sum FW, Powell DW, Hopper DW, Torres N, Berger DM, Zhang Y, Gavriil M, Sadler TM, Arndt K.: Synthesis and biological evaluation of tricyclic anilinopyrimidines as IKKbeta inhibitors. Bioorg Med Chem Lett, Volume 20 (12), 2010";ChEMBL
MM473079;MM473079;NS(=O)(=O)c1ccc(Nc2ncc3c(n2)-c2ccsc2CC3)cc1;MTDWGYRUUAGIEQ-UHFFFAOYSA-N;358.45;2.69;46890319;;;CHEMBL1085654;GENER;EPAM;25;0;"<a href=https://www.ebi.ac.uk/chembl/assay_report_card/CHEMBL1120482/  target=_blank>CHEMBL1120482</a>";;;;;;;;;-6.42;;;;;;;;;;;;"Crombie AL, Sum FW, Powell DW, Hopper DW, Torres N, Berger DM, Zhang Y, Gavriil M, Sadler TM, Arndt K.: Synthesis and biological evaluation of tricyclic anilinopyrimidines as IKKbeta inhibitors. Bioorg Med Chem Lett, Volume 20 (12), 2010";ChEMBL
MM473080;MM473080;CN(C)CCNS(=O)(=O)c1ccc(Nc2nccc(-c3ccsc3)n2)cc1;AUZFWDQAVYWVTD-UHFFFAOYSA-N;403.53;2.79;46890320;;;CHEMBL1085880;GENER;EPAM;25;0;"<a href=https://www.ebi.ac.uk/chembl/assay_report_card/CHEMBL1120482/  target=_blank>CHEMBL1120482</a>";;;;;;;;;-5.62;;;;;;;;;;;;"Crombie AL, Sum FW, Powell DW, Hopper DW, Torres N, Berger DM, Zhang Y, Gavriil M, Sadler TM, Arndt K.: Synthesis and biological evaluation of tricyclic anilinopyrimidines as IKKbeta inhibitors. Bioorg Med Chem Lett, Volume 20 (12), 2010";ChEMBL
MM473081;MM473081;CN(C)CCNS(=O)(=O)c1ccc(Nc2ncc3c(n2)-c2ccsc2CC3)cc1;VOKVJALZAMIMIX-UHFFFAOYSA-N;429.57;2.89;46871627;;;CHEMBL1085881;GENER;EPAM;25;0;"<a href=https://www.ebi.ac.uk/chembl/assay_report_card/CHEMBL1120482/  target=_blank>CHEMBL1120482</a>";;;;;;;;;-5.81;;;;;;;;;;;;"Crombie AL, Sum FW, Powell DW, Hopper DW, Torres N, Berger DM, Zhang Y, Gavriil M, Sadler TM, Arndt K.: Synthesis and biological evaluation of tricyclic anilinopyrimidines as IKKbeta inhibitors. Bioorg Med Chem Lett, Volume 20 (12), 2010";ChEMBL
MM473819;MM473819;CC1(C)C(=O)N(c2ccc(C#N)c(C(F)(F)F)c2)C(=S)N1c1ccccc1;RIJFURMPKGXAOI-UHFFFAOYSA-N;389.4;4.49;15952779;;;CHEMBL1085883;GENER;EPAM;25;0;"<a href=https://www.ebi.ac.uk/chembl/assay_report_card/CHEMBL1291553/  target=_blank>CHEMBL1291553</a>";;;;;;;;;-6.16;;;;;;;;;;;;"Yoshino H, Sato H, Shiraishi T, Tachibana K, Emura T, Honma A, Ishikura N, Tsunenari T, Watanabe M, Nishimoto A, Nakamura R, Nakagawa T, Ohta M, Takata N, Furumoto K, Kimura K, Kawata H.: Design and synthesis of an androgen receptor pure antagonist (CH5137291) for the treatment of castration-resistant prostate cancer. Bioorg Med Chem, Volume 18 (23), 2010";ChEMBL
MM473074;MM473074;CC(C)(C)CC(=O)Nc1ccc2c(c1)CCc1cnc(Nc3ccc(S(N)(=O)=O)cc3)nc1-2;AGMOCPFJNJCUEI-UHFFFAOYSA-N;465.58;4.01;46890212;;;CHEMBL1086087;GENER;EPAM;25;0;"<a href=https://www.ebi.ac.uk/chembl/assay_report_card/CHEMBL1120482/  target=_blank>CHEMBL1120482</a>";;;;;;;;;-5.64;;;;;;;;;;;;"Crombie AL, Sum FW, Powell DW, Hopper DW, Torres N, Berger DM, Zhang Y, Gavriil M, Sadler TM, Arndt K.: Synthesis and biological evaluation of tricyclic anilinopyrimidines as IKKbeta inhibitors. Bioorg Med Chem Lett, Volume 20 (12), 2010";ChEMBL
MM471510;MM471510;CC(=O)N(C)CCc1cc(Br)c(OCCCN=c2ncn(C)c3nc[nH]c23)c(Br)c1;;540.26;3.74;135914520;;;CHEMBL1086155;GENER;EPAM;25;0;"<a href=https://www.ebi.ac.uk/chembl/assay_report_card/CHEMBL1111418/  target=_blank>CHEMBL1111418</a>";;;;;;;;;-3.7;;;;;;;;;;;;"Wright AE, Roth GP, Hoffman JK, Divlianska DB, Pechter D, Sennett SH, Guzmán EA, Linley P, McCarthy PJ, Pitts TP, Pomponi SA, Reed JK.: Isolation, synthesis, and biological activity of aphrocallistin, an adenine-substituted bromotyramine metabolite from the Hexactinellida sponge Aphrocallistes beatrix. J Nat Prod, Volume 72 (6), 2009";ChEMBL
MM471510;MM471510;CC(=O)N(C)CCc1cc(Br)c(OCCCN=c2ncn(C)c3nc[nH]c23)c(Br)c1;;540.26;3.74;135914520;;;CHEMBL1086155;GENER;EPAM;25;0;"ph = 5, <a href=https://www.ebi.ac.uk/chembl/assay_report_card/CHEMBL1110490/  target=_blank>CHEMBL1110490</a>";;;;;;;;;-4.48;;;;;;;;;;;;"Wright AE, Roth GP, Hoffman JK, Divlianska DB, Pechter D, Sennett SH, Guzmán EA, Linley P, McCarthy PJ, Pitts TP, Pomponi SA, Reed JK.: Isolation, synthesis, and biological activity of aphrocallistin, an adenine-substituted bromotyramine metabolite from the Hexactinellida sponge Aphrocallistes beatrix. J Nat Prod, Volume 72 (6), 2009";ChEMBL
MM471510;MM471510;CC(=O)N(C)CCc1cc(Br)c(OCCCN=c2ncn(C)c3nc[nH]c23)c(Br)c1;;540.26;3.74;135914520;;;CHEMBL1086155;GENER;EPAM;25;0;"ph = 7.4, <a href=https://www.ebi.ac.uk/chembl/assay_report_card/CHEMBL1111419/  target=_blank>CHEMBL1111419</a>";;;;;;;;;-3.49;;;;;;;;;;;;"Wright AE, Roth GP, Hoffman JK, Divlianska DB, Pechter D, Sennett SH, Guzmán EA, Linley P, McCarthy PJ, Pitts TP, Pomponi SA, Reed JK.: Isolation, synthesis, and biological activity of aphrocallistin, an adenine-substituted bromotyramine metabolite from the Hexactinellida sponge Aphrocallistes beatrix. J Nat Prod, Volume 72 (6), 2009";ChEMBL
MM471513;MM471513;CCCN(CCCNc1ccnc2cc(Cl)ccc12)CC1CC1;;331.89;4.81;11278987;;;CHEMBL1087469;GENER;EPAM;25;0;"ph = 6.2, <a href=https://www.ebi.ac.uk/chembl/assay_report_card/CHEMBL1103810/  target=_blank>CHEMBL1103810</a>";;;;;;;;;-5.7;;;;;;;;;;;;"Ray S, Madrid PB, Catz P, LeValley SE, Furniss MJ, Rausch LL, Guy RK, DeRisi JL, Iyer LV, Green CE, Mirsalis JC.: Development of a new generation of 4-aminoquinoline antimalarial compounds using predictive pharmacokinetic and toxicology models. J Med Chem, Volume 53 (9), 2010";ChEMBL
MM471513;MM471513;CCCN(CCCNc1ccnc2cc(Cl)ccc12)CC1CC1;;331.89;4.81;11278987;;;CHEMBL1087469;GENER;EPAM;25;0;"ph = 7.4, <a href=https://www.ebi.ac.uk/chembl/assay_report_card/CHEMBL1103809/  target=_blank>CHEMBL1103809</a>";;;;;;;;;-2.96;;;;;;;;;;;;"Ray S, Madrid PB, Catz P, LeValley SE, Furniss MJ, Rausch LL, Guy RK, DeRisi JL, Iyer LV, Green CE, Mirsalis JC.: Development of a new generation of 4-aminoquinoline antimalarial compounds using predictive pharmacokinetic and toxicology models. J Med Chem, Volume 53 (9), 2010";ChEMBL
MM471514;MM471514;Clc1ccc2c(NCCCNCc3cccc4c3OCO4)ccnc2c1;;369.85;4.21;46222241;;;CHEMBL1088123;GENER;EPAM;25;0;"ph = 5, <a href=https://www.ebi.ac.uk/chembl/assay_report_card/CHEMBL1103811/  target=_blank>CHEMBL1103811</a>";;;;;;;;;-4.72;;;;;;;;;;;;"Ray S, Madrid PB, Catz P, LeValley SE, Furniss MJ, Rausch LL, Guy RK, DeRisi JL, Iyer LV, Green CE, Mirsalis JC.: Development of a new generation of 4-aminoquinoline antimalarial compounds using predictive pharmacokinetic and toxicology models. J Med Chem, Volume 53 (9), 2010";ChEMBL
MM471514;MM471514;Clc1ccc2c(NCCCNCc3cccc4c3OCO4)ccnc2c1;;369.85;4.21;46222241;;;CHEMBL1088123;GENER;EPAM;25;0;"ph = 6.2, <a href=https://www.ebi.ac.uk/chembl/assay_report_card/CHEMBL1103810/  target=_blank>CHEMBL1103810</a>";;;;;;;;;-3.01;;;;;;;;;;;;"Ray S, Madrid PB, Catz P, LeValley SE, Furniss MJ, Rausch LL, Guy RK, DeRisi JL, Iyer LV, Green CE, Mirsalis JC.: Development of a new generation of 4-aminoquinoline antimalarial compounds using predictive pharmacokinetic and toxicology models. J Med Chem, Volume 53 (9), 2010";ChEMBL
MM471514;MM471514;Clc1ccc2c(NCCCNCc3cccc4c3OCO4)ccnc2c1;;369.85;4.21;46222241;;;CHEMBL1088123;GENER;EPAM;25;0;"ph = 7.4, <a href=https://www.ebi.ac.uk/chembl/assay_report_card/CHEMBL1103809/  target=_blank>CHEMBL1103809</a>";;;;;;;;;-2.62;;;;;;;;;;;;"Ray S, Madrid PB, Catz P, LeValley SE, Furniss MJ, Rausch LL, Guy RK, DeRisi JL, Iyer LV, Green CE, Mirsalis JC.: Development of a new generation of 4-aminoquinoline antimalarial compounds using predictive pharmacokinetic and toxicology models. J Med Chem, Volume 53 (9), 2010";ChEMBL
MM471515;MM471515;COc1cccc(CNCCCNc2ccnc3cc(Cl)ccc23)c1O;;371.87;4.19;46222243;;;CHEMBL1088255;GENER;EPAM;25;0;"ph = 6.2, <a href=https://www.ebi.ac.uk/chembl/assay_report_card/CHEMBL1103810/  target=_blank>CHEMBL1103810</a>";;;;;;;;;-5.4;;;;;;;;;;;;"Ray S, Madrid PB, Catz P, LeValley SE, Furniss MJ, Rausch LL, Guy RK, DeRisi JL, Iyer LV, Green CE, Mirsalis JC.: Development of a new generation of 4-aminoquinoline antimalarial compounds using predictive pharmacokinetic and toxicology models. J Med Chem, Volume 53 (9), 2010";ChEMBL
MM471515;MM471515;COc1cccc(CNCCCNc2ccnc3cc(Cl)ccc23)c1O;;371.87;4.19;46222243;;;CHEMBL1088255;GENER;EPAM;25;0;"ph = 7.4, <a href=https://www.ebi.ac.uk/chembl/assay_report_card/CHEMBL1103809/  target=_blank>CHEMBL1103809</a>";;;;;;;;;-2.87;;;;;;;;;;;;"Ray S, Madrid PB, Catz P, LeValley SE, Furniss MJ, Rausch LL, Guy RK, DeRisi JL, Iyer LV, Green CE, Mirsalis JC.: Development of a new generation of 4-aminoquinoline antimalarial compounds using predictive pharmacokinetic and toxicology models. J Med Chem, Volume 53 (9), 2010";ChEMBL
MM473065;MM473065;CCn1cnc(CN2CCN(c3cccn4cc(-c5ccc(C(C)(C)C)cc5)nc34)CC2)c1C;XOVVOPXYEWLASI-UHFFFAOYSA-N;456.64;5.15;11532637;;;CHEMBL1088866;GENER;EPAM;25;0;"<a href=https://www.ebi.ac.uk/chembl/assay_report_card/CHEMBL1115141/  target=_blank>CHEMBL1115141</a>";;;;;;;;;-5.96;;;;;;;;;;;;"Vera MD, Lundquist JT, Chengalvala MV, Cottom JE, Feingold IB, Garrick LM, Green DM, Hauze DB, Mann CW, Mehlmann JF, Rogers JF, Shanno L, Wrobel JE, Pelletier JC.: Synthesis and biological evaluation of piperazinyl heterocyclic antagonists of the gonadotropin releasing hormone (GnRH) receptor. Bioorg Med Chem Lett, Volume 20 (8), 2010";ChEMBL
MM474399;MM474399;CCn1cc(-c2ccnc3[nH]ccc23)c(-c2ccc(NC(=O)Nc3ccccc3)cc2)n1;CZVVMRNEBRFYTL-UHFFFAOYSA-N;422.49;5.76;46885625;;;CHEMBL1089116;GENER;EPAM;25;0;"<a href=https://www.ebi.ac.uk/chembl/assay_report_card/CHEMBL1104789/  target=_blank>CHEMBL1104789</a>";;;;;;;;;-4.77;;;;;;;;;;;;"Adams ND, Adams JL, Burgess JL, Chaudhari AM, Copeland RA, Donatelli CA, Drewry DH, Fisher KE, Hamajima T, Hardwicke MA, Huffman WF, Koretke-Brown KK, Lai ZV, McDonald OB, Nakamura H, Newlander KA, Oleykowski CA, Parrish CA, Patrick DR, Plant R, Sarpong MA, Sasaki K, Schmidt SJ, Silva DJ, Sutton D, Tang J, Thompson CS, Tummino PJ, Wang JC, Xiang H, Yang J, Dhanak D.: Discovery of GSK1070916, a potent and selective inhibitor of Aurora B/C kinase. J Med Chem, Volume 53 (10), 2010";ChEMBL
MM472437;MM472437;CCOC(=O)c1c(-c2cccc([N+](=O)[O-])c2)[nH]c2cccc(OC)c2c1=O;CEKNTCAMNRVXEV-UHFFFAOYSA-N;368.35;3.29;;;;;GENER;EPAM;25;+1,-1;"ph = 4, <a href=https://www.ebi.ac.uk/chembl/assay_report_card/CHEMBL1113469/  target=_blank>CHEMBL1113469</a>";;;;;;;;;-3.96;;;;;;;;;;;;"Zhang Y, Guiguemde WA, Sigal M, Zhu F, Connelly MC, Nwaka S, Guy RK.: Synthesis and structure-activity relationships of antimalarial 4-oxo-3-carboxyl quinolones. Bioorg Med Chem, Volume 18 (7), 2010";ChEMBL
MM473066;MM473066;CCn1cc(CN2CCN(c3cccn4cc(-c5ccc(C(C)(C)C)cc5)nc34)CC2)c(=O)[nH]c1=O;AFAITHRNRONGKR-UHFFFAOYSA-N;486.62;3.49;15602805;;;CHEMBL1091579;GENER;EPAM;25;0;"<a href=https://www.ebi.ac.uk/chembl/assay_report_card/CHEMBL1115141/  target=_blank>CHEMBL1115141</a>";;;;;;;;;-5.92;;;;;;;;;;;;"Vera MD, Lundquist JT, Chengalvala MV, Cottom JE, Feingold IB, Garrick LM, Green DM, Hauze DB, Mann CW, Mehlmann JF, Rogers JF, Shanno L, Wrobel JE, Pelletier JC.: Synthesis and biological evaluation of piperazinyl heterocyclic antagonists of the gonadotropin releasing hormone (GnRH) receptor. Bioorg Med Chem Lett, Volume 20 (8), 2010";ChEMBL
MM473064;MM473064;CCc1nc(CN2CCN(c3cccn4cc(-c5ccc(C(C)(C)C)cc5)nc34)CC2)c(C)[nH]1;QMCIWSPCULJWEO-UHFFFAOYSA-N;456.64;5.21;15602806;;;CHEMBL1092638;GENER;EPAM;25;0;"<a href=https://www.ebi.ac.uk/chembl/assay_report_card/CHEMBL1115141/  target=_blank>CHEMBL1115141</a>";;;;;;;;;-6.7;;;;;;;;;;;;"Vera MD, Lundquist JT, Chengalvala MV, Cottom JE, Feingold IB, Garrick LM, Green DM, Hauze DB, Mann CW, Mehlmann JF, Rogers JF, Shanno L, Wrobel JE, Pelletier JC.: Synthesis and biological evaluation of piperazinyl heterocyclic antagonists of the gonadotropin releasing hormone (GnRH) receptor. Bioorg Med Chem Lett, Volume 20 (8), 2010";ChEMBL
MM471854;MM471854;CCOC(=O)c1c(-c2cccc(OC)c2)[nH]c2cc(OC)ccc2c1=O;KWRPQBUOZRTWTK-UHFFFAOYSA-N;353.37;3.39;45103531;;;CHEMBL1092774;GENER;EPAM;25;0;"ph = 7.4, <a href=https://www.ebi.ac.uk/chembl/assay_report_card/CHEMBL2175311/  target=_blank>CHEMBL2175311</a>";;;;;;;;;-3.77;;;;;;;;;;;;"Zhang Y, Clark JA, Connelly MC, Zhu F, Min J, Guiguemde WA, Pradhan A, Iyer L, Furimsky A, Gow J, Parman T, El Mazouni F, Phillips MA, Kyle DE, Mirsalis J, Guy RK.: Lead optimization of 3-carboxyl-4(1H)-quinolones to deliver orally bioavailable antimalarials. J Med Chem, Volume 55 (9), 2012";ChEMBL
MM474398;MM474398;CCCS(=O)(=O)N1CCN(c2ccc(OCC3CCN(C(=O)OC(C)C)CC3)cn2)CC1;OTEDYPFTWYZQEE-UHFFFAOYSA-N;468.62;2.58;46865203;;;CHEMBL1093151;GENER;EPAM;25;0;"<a href=https://www.ebi.ac.uk/chembl/assay_report_card/CHEMBL1107078/  target=_blank>CHEMBL1107078</a>";;;;;;;;;-4.33;;;;;;;;;;;;"Wu Y, Kuntz JD, Carpenter AJ, Fang J, Sauls HR, Gomez DJ, Ammala C, Xu Y, Hart S, Tadepalli S.: 2,5-Disubstituted pyridines as potent GPR119 agonists. Bioorg Med Chem Lett, Volume 20 (8), 2010";ChEMBL
MM471851;MM471851;CCOC(=O)c1c(-c2cccc(Cl)c2)[nH]c2cc(OC)ccc2c1=O;LWEMFPJHVREVBZ-UHFFFAOYSA-N;357.79;4.03;46884043;;;CHEMBL1093726;GENER;EPAM;25;0;"ph = 7.4, <a href=https://www.ebi.ac.uk/chembl/assay_report_card/CHEMBL2175311/  target=_blank>CHEMBL2175311</a>";;;;;;;;;-3.02;;;;;;;;;;;;"Zhang Y, Clark JA, Connelly MC, Zhu F, Min J, Guiguemde WA, Pradhan A, Iyer L, Furimsky A, Gow J, Parman T, El Mazouni F, Phillips MA, Kyle DE, Mirsalis J, Guy RK.: Lead optimization of 3-carboxyl-4(1H)-quinolones to deliver orally bioavailable antimalarials. J Med Chem, Volume 55 (9), 2012";ChEMBL
MM473068;MM473068;COc1ccc(N2CCN(C)CC2)cc1Nc1ncc2c(n1)-c1c(c(C(N)=O)nn1C)CC2;SWTRIZHCIUWGAU-UHFFFAOYSA-N;448.53;1.58;24993189;;;CHEMBL1094408;GENER;EPAM;25;0;"<a href=https://www.ebi.ac.uk/chembl/assay_report_card/CHEMBL1103832/  target=_blank>CHEMBL1103832</a>";;;;;;;;;-4.3;;;;;;;;;;;;"Beria I, Ballinari D, Bertrand JA, Borghi D, Bossi RT, Brasca MG, Cappella P, Cappella P, Caruso M, Ceccarelli W, Ciavolella A, Cristiani C, Croci V, De Ponti A, Fachin G, Ferguson RD, Lansen J, Moll JK, Pesenti E, Posteri H, Perego R, Rocchetti M, Storici P, Volpi D, Valsasina B.: Identification of 4,5-dihydro-1H-pyrazolo[4,3-h]quinazoline derivatives as a new class of orally and selective Polo-like kinase 1 inhibitors. J Med Chem, Volume 53 (9), 2010";ChEMBL
MM473825;MM473825;CC1(C)C(=O)N(c2ccc(C#N)c(Cl)c2)C(=S)N1CCCS(N)(=O)=O;DSIHXMZSDDJEHM-UHFFFAOYSA-N;400.91;1.6;11632731;;;CHEMBL1099086;GENER;EPAM;25;0;"<a href=https://www.ebi.ac.uk/chembl/assay_report_card/CHEMBL1291553/  target=_blank>CHEMBL1291553</a>";;;;;;;;;-4.6;;;;;;;;;;;;"Yoshino H, Sato H, Shiraishi T, Tachibana K, Emura T, Honma A, Ishikura N, Tsunenari T, Watanabe M, Nishimoto A, Nakamura R, Nakagawa T, Ohta M, Takata N, Furumoto K, Kimura K, Kawata H.: Design and synthesis of an androgen receptor pure antagonist (CH5137291) for the treatment of castration-resistant prostate cancer. Bioorg Med Chem, Volume 18 (23), 2010";ChEMBL
Acetaminophen;MM00322;CC(=O)Nc1ccc(O)cc1;RZVAJINKPMORJF-UHFFFAOYSA-N;151.17;1.35;1983;DB00316;TYL;CHEMBL112;GENER;EPAM;25;0;"ph = 7.4, <a href=https://www.ebi.ac.uk/chembl/assay_report_card/CHEMBL1056608/  target=_blank>CHEMBL1056608</a>";;;;;;;;;-6.52;;;;;;;;;;;;"Dreassi E, Zizzari AT, Falchi F, Schenone S, Santucci A, Maga G, Botta M.: Determination of permeability and lipophilicity of pyrazolo-pyrimidine tyrosine kinase inhibitors and correlation with biological data. Eur J Med Chem, Volume 44 (9), 2009";ChEMBL
Caffeine;MM00040;Cn1c(=O)c2c(ncn2C)n(C)c1=O;RYYVLZVUVIJVGH-UHFFFAOYSA-N;194.19;-1.03;2519;DB00201;CFF;CHEMBL113;GENER;EPAM;25;0;"ph = 7.4, <a href=https://www.ebi.ac.uk/chembl/assay_report_card/CHEMBL1056608/  target=_blank>CHEMBL1056608</a>";;;;;;;;;-5.75;;;;;;;;;;;;"Dreassi E, Zizzari AT, Falchi F, Schenone S, Santucci A, Maga G, Botta M.: Determination of permeability and lipophilicity of pyrazolo-pyrimidine tyrosine kinase inhibitors and correlation with biological data. Eur J Med Chem, Volume 44 (9), 2009";ChEMBL
MM472520;MM472520;Oc1ccc(Cl)cc1Cl;HFZWRUODUSTPEG-UHFFFAOYSA-N;163;2.7;;;;;GENER;EPAM;25;0;"<a href=https://www.ebi.ac.uk/chembl/assay_report_card/CHEMBL905612/  target=_blank>CHEMBL905612</a>";;;;;;;;;-4.93;;;;;;;;;;;;"Fujikawa M, Nakao K, Shimizu R, Akamatsu M.: QSAR study on permeability of hydrophobic compounds with artificial membranes. Bioorg Med Chem, Volume 15 (11), 3756-3767, 2007";ChEMBL
MM472372;MM472372;C[N+](C)(C)C[C@H](O)CC(=O)[O-];PHIQHXFUZVPYII-ZCFIWIBFSA-N;161.2;-1.81;;;;;GENER;EPAM;25;+1,-1;"ph = 6.5, <a href=https://www.ebi.ac.uk/chembl/assay_report_card/CHEMBL1046150/  target=_blank>CHEMBL1046150</a>";;;;;;;;;-5.89;;;;;;;;;;;;"Tam KY, Avdeef A, Tsinman O, Sun N.: The permeation of amphoteric drugs through artificial membranes--an in combo absorption model based on paracellular and transmembrane permeability. J Med Chem, Volume 53 (1), 392-401, 2010";ChEMBL
MM471395;MM471395;N#Cc1ccc(-c2ccc(OC3OC(CO)C(O)C(O)C3O)cc2)cc1;DCZNYNMIRSBGHQ-GFEQUFNTSA-N;357.36;0.4;46838482;;;CHEMBL1169700;GENER;EPAM;25;0;"ph = 7.4, <a href=https://www.ebi.ac.uk/chembl/assay_report_card/CHEMBL3419536/  target=_blank>CHEMBL3419536</a>";;;;;;;;;-5.7;;;;;;;;;;;;"Kleeb S, Pang L, Mayer K, Eris D, Sigl A, Preston RC, Zihlmann P, Sharpe T, Jakob RP, Abgottspon D, Hutter AS, Scharenberg M, Jiang X, Navarra G, Rabbani S, Smiesko M, Lüdin N, Bezençon J, Schwardt O, Maier T, Ernst B.: FimH antagonists: bioisosteres to improve the in vitro and in vivo PK/PD profile. J Med Chem, Volume 58 (5), 2015";ChEMBL
MM471388;MM471388;OCC1OC(Oc2ccc(-c3ccccc3)cc2)C(O)C(O)C1O;SZBKRKVDBPBJHL-ZBRFXRBCSA-N;332.35;0.53;46838077;;;CHEMBL1170072;GENER;EPAM;25;0;"ph = 7.4, <a href=https://www.ebi.ac.uk/chembl/assay_report_card/CHEMBL3419536/  target=_blank>CHEMBL3419536</a>";;;;;;;;;-4.7;;;;;;;;;;;;"Kleeb S, Pang L, Mayer K, Eris D, Sigl A, Preston RC, Zihlmann P, Sharpe T, Jakob RP, Abgottspon D, Hutter AS, Scharenberg M, Jiang X, Navarra G, Rabbani S, Smiesko M, Lüdin N, Bezençon J, Schwardt O, Maier T, Ernst B.: FimH antagonists: bioisosteres to improve the in vitro and in vivo PK/PD profile. J Med Chem, Volume 58 (5), 2015";ChEMBL
MM472591;MM472591;CCCCCCCOC1OC(CO)C(O)C(O)C1O;;278.35;-0.23;11300413;;;CHEMBL1170455;GENER;EPAM;25;0;"<a href=https://www.ebi.ac.uk/chembl/assay_report_card/CHEMBL1805241/  target=_blank>CHEMBL1805241</a>";;;;;;;;;-4.89;;;;;;;;;;;;"Klein T, Abgottspon D, Wittwer M, Rabbani S, Herold J, Jiang X, Kleeb S, Lüthi C, Scharenberg M, Bezençon J, Gubler E, Pang L, Smiesko M, Cutting B, Schwardt O, Ernst B.: FimH antagonists for the oral treatment of urinary tract infections: from design and synthesis to in vitro and in vivo evaluation. J Med Chem, Volume 53 (24), 2010";ChEMBL
MM472591;MM472591;CCCCCCCOC1OC(CO)C(O)C(O)C1O;;278.35;-0.23;11300413;;;CHEMBL1170455;GENER;EPAM;25;0;"<a href=https://www.ebi.ac.uk/chembl/assay_report_card/CHEMBL3418232/  target=_blank>CHEMBL3418232</a>";;;;;;;;;-4.89;;;;;;;;;;;;"Kleeb S, Pang L, Mayer K, Eris D, Sigl A, Preston RC, Zihlmann P, Sharpe T, Jakob RP, Abgottspon D, Hutter AS, Scharenberg M, Jiang X, Navarra G, Rabbani S, Smiesko M, Lüdin N, Bezençon J, Schwardt O, Maier T, Ernst B.: FimH antagonists: bioisosteres to improve the in vitro and in vivo PK/PD profile. J Med Chem, Volume 58 (5), 2015";ChEMBL
MM473082;MM473082;CC(=O)N1CCC(C(=O)N2CCC(N3CCN(C(=O)c4cc(-c5cccc(F)c5)nc(-c5ccc6[nH]ccc6c5)c4)CC3)CC2)CC1;FFMGDOVUBJQRQK-UHFFFAOYSA-N;636.77;5.04;49798388;;;CHEMBL1170505;GENER;EPAM;25;0;"<a href=https://www.ebi.ac.uk/chembl/assay_report_card/CHEMBL1175372/  target=_blank>CHEMBL1175372</a>";;;;;;;;;-4.7;;;;;;;;;;;;"Chonan T, Tanaka H, Yamamoto D, Yashiro M, Oi T, Wakasugi D, Ohoka-Sugita A, Io F, Koretsune H, Hiratate A.: Design and synthesis of disubstituted (4-piperidinyl)-piperazine derivatives as potent acetyl-CoA carboxylase inhibitors. Bioorg Med Chem Lett, Volume 20 (13), 2010";ChEMBL
MM473083;MM473083;CC(=O)N1CCC(C(=O)N2CCC(N3CCN(C(=O)c4cc(-c5ccc(F)cc5)nc(-c5ccc6[nH]ccc6c5)c4)CC3)CC2)CC1;GZKXHIOREJCCDY-UHFFFAOYSA-N;636.77;5.04;;;;;GENER;EPAM;25;0;"<a href=https://www.ebi.ac.uk/chembl/assay_report_card/CHEMBL1175372/  target=_blank>CHEMBL1175372</a>";;;;;;;;;-4.35;;;;;;;;;;;;"Chonan T, Tanaka H, Yamamoto D, Yashiro M, Oi T, Wakasugi D, Ohoka-Sugita A, Io F, Koretsune H, Hiratate A.: Design and synthesis of disubstituted (4-piperidinyl)-piperazine derivatives as potent acetyl-CoA carboxylase inhibitors. Bioorg Med Chem Lett, Volume 20 (13), 2010";ChEMBL
MM473084;MM473084;CC(=O)N1CCC(C(=O)N2CCC(N3CCN(C(=O)c4cc(-c5cccc(C)c5)nc(-c5ccc6[nH]ccc6c5)c4)CC3)CC2)CC1;JKGNQCZWTAIJRT-UHFFFAOYSA-N;632.81;5.21;49798390;;;CHEMBL1170507;GENER;EPAM;25;0;"<a href=https://www.ebi.ac.uk/chembl/assay_report_card/CHEMBL1175372/  target=_blank>CHEMBL1175372</a>";;;;;;;;;-4.55;;;;;;;;;;;;"Chonan T, Tanaka H, Yamamoto D, Yashiro M, Oi T, Wakasugi D, Ohoka-Sugita A, Io F, Koretsune H, Hiratate A.: Design and synthesis of disubstituted (4-piperidinyl)-piperazine derivatives as potent acetyl-CoA carboxylase inhibitors. Bioorg Med Chem Lett, Volume 20 (13), 2010";ChEMBL
MM473085;MM473085;CC(=O)N1CCC(C(=O)N2CCC(N3CCN(C(=O)c4cc(-c5ccc(C)cc5)nc(-c5ccc6[nH]ccc6c5)c4)CC3)CC2)CC1;ZCTNXUOUMYXZIF-UHFFFAOYSA-N;632.81;5.21;49798391;;;CHEMBL1170508;GENER;EPAM;25;0;"<a href=https://www.ebi.ac.uk/chembl/assay_report_card/CHEMBL1175372/  target=_blank>CHEMBL1175372</a>";;;;;;;;;-4.4;;;;;;;;;;;;"Chonan T, Tanaka H, Yamamoto D, Yashiro M, Oi T, Wakasugi D, Ohoka-Sugita A, Io F, Koretsune H, Hiratate A.: Design and synthesis of disubstituted (4-piperidinyl)-piperazine derivatives as potent acetyl-CoA carboxylase inhibitors. Bioorg Med Chem Lett, Volume 20 (13), 2010";ChEMBL
MM473086;MM473086;COc1ccc(-c2cc(C(=O)N3CCN(C4CCN(C(=O)C5CCN(C(C)=O)CC5)CC4)CC3)cc(-c3ccc4[nH]ccc4c3)n2)cc1;NEOXRZPYDKSMGX-UHFFFAOYSA-N;648.81;4.91;49798393;;;CHEMBL1170510;GENER;EPAM;25;0;"<a href=https://www.ebi.ac.uk/chembl/assay_report_card/CHEMBL1175372/  target=_blank>CHEMBL1175372</a>";;;;;;;;;-4.67;;;;;;;;;;;;"Chonan T, Tanaka H, Yamamoto D, Yashiro M, Oi T, Wakasugi D, Ohoka-Sugita A, Io F, Koretsune H, Hiratate A.: Design and synthesis of disubstituted (4-piperidinyl)-piperazine derivatives as potent acetyl-CoA carboxylase inhibitors. Bioorg Med Chem Lett, Volume 20 (13), 2010";ChEMBL
MM473087;MM473087;CC(=O)N1CCC(C(=O)N2CCC(N3CCN(C(=O)c4cc(-c5ccccc5)nc(-c5ccc6[nH]ccc6c5)c4)CC3)CC2)CC1;CGMYNKWLJMEIMQ-UHFFFAOYSA-N;618.78;4.9;49798424;;;CHEMBL1170716;GENER;EPAM;25;0;"<a href=https://www.ebi.ac.uk/chembl/assay_report_card/CHEMBL1175372/  target=_blank>CHEMBL1175372</a>";;;;;;;;;-4.33;;;;;;;;;;;;"Chonan T, Tanaka H, Yamamoto D, Yashiro M, Oi T, Wakasugi D, Ohoka-Sugita A, Io F, Koretsune H, Hiratate A.: Design and synthesis of disubstituted (4-piperidinyl)-piperazine derivatives as potent acetyl-CoA carboxylase inhibitors. Bioorg Med Chem Lett, Volume 20 (13), 2010";ChEMBL
MM472592;MM472592;COC(=O)c1ccc(-c2ccc(OC3OC(CO)C(O)C(O)C3O)cc2)cc1;;390.39;0.32;46838079;;;CHEMBL1171278;GENER;EPAM;25;0;"<a href=https://www.ebi.ac.uk/chembl/assay_report_card/CHEMBL1805241/  target=_blank>CHEMBL1805241</a>";;;;;;;;;-4.7;;;;;;;;;;;;"Klein T, Abgottspon D, Wittwer M, Rabbani S, Herold J, Jiang X, Kleeb S, Lüthi C, Scharenberg M, Bezençon J, Gubler E, Pang L, Smiesko M, Cutting B, Schwardt O, Ernst B.: FimH antagonists for the oral treatment of urinary tract infections: from design and synthesis to in vitro and in vivo evaluation. J Med Chem, Volume 53 (24), 2010";ChEMBL
MM472597;MM472597;COC(=O)c1ccc(-c2cccc(OC3OC(CO)C(O)C(O)C3O)c2)cc1;KJXHYBWPKVGFJG-JGLNRKDHSA-N;390.39;0.32;46838218;;;CHEMBL1171678;GENER;EPAM;25;0;"<a href=https://www.ebi.ac.uk/chembl/assay_report_card/CHEMBL1805241/  target=_blank>CHEMBL1805241</a>";;;;;;;;;-5.01;;;;;;;;;;;;"Klein T, Abgottspon D, Wittwer M, Rabbani S, Herold J, Jiang X, Kleeb S, Lüthi C, Scharenberg M, Bezençon J, Gubler E, Pang L, Smiesko M, Cutting B, Schwardt O, Ernst B.: FimH antagonists for the oral treatment of urinary tract infections: from design and synthesis to in vitro and in vivo evaluation. J Med Chem, Volume 53 (24), 2010";ChEMBL
MM471575;MM471575;O=C1CC(c2ccc(Cl)cc2Cl)Cc2[nH]c3ccc(Cl)cc3c(=O)c21;SLRIULRRADAUHV-UHFFFAOYSA-N;392.67;5.81;633805;;;CHEMBL117217;GENER;EPAM;25;0;"ph = 7.4, <a href=https://www.ebi.ac.uk/chembl/assay_report_card/CHEMBL1804799/  target=_blank>CHEMBL1804799</a>";;;;;;;;;-4.7;;;;;;;;;;;;"Cross RM, Maignan JR, Mutka TS, Luong L, Sargent J, Kyle DE, Manetsch R.: Optimization of 1,2,3,4-tetrahydroacridin-9(10H)-ones as antimalarials utilizing structure-activity and structure-property relationships. J Med Chem, Volume 54 (13), 2011";ChEMBL
MM473796;MM473796;C=CCN(C(=O)Cc1ccc(S(=O)(=O)NC)cc1)C1CCN(CC2CN(C(=O)C3CCCC3)CC2(O)c2ccccc2)CC1;XPFKJEFRGMJTEE-DODOAAEWSA-N;622.83;3.15;44194588;;;CHEMBL1172625;GENER;EPAM;25;0;"<a href=https://www.ebi.ac.uk/chembl/assay_report_card/CHEMBL1174114/  target=_blank>CHEMBL1174114</a>";;;;;;;;;-7.15;;;;;;;;;;;;"Ben L, Jones ED, Zhou E, Li C, Baylis DC, Yu S, Wang M, He X, Coates JA, Rhodes DI, Pei G, Deadman JJ, Xie X, Ma D.: Studies on the structure-activity relationship of 1,3,3,4-tetra-substituted pyrrolidine embodied CCR5 receptor antagonists. Part 1: Tuning the N-substituents. Bioorg Med Chem Lett, Volume 20 (14), 2010";ChEMBL
MM474402;MM474402;CC(CNC(=O)c1ccc2[nH]ccc2c1)c1cccc(C(=O)c2ccccc2)c1;ZPJZVJTYHYOABS-UHFFFAOYSA-N;382.46;4.93;49799061;;;CHEMBL1172741;GENER;EPAM;25;0;"<a href=https://www.ebi.ac.uk/chembl/assay_report_card/CHEMBL1176651/  target=_blank>CHEMBL1176651</a>";;;;;;;;;-4.28;;;;;;;;;;;;"Mahindroo N, Connelly MC, Punchihewa C, Yang L, Yan B, Fujii N.: Amide conjugates of ketoprofen and indole as inhibitors of Gli1-mediated transcription in the Hedgehog pathway. Bioorg Med Chem, Volume 18 (13), 2010";ChEMBL
MM474401;MM474401;CC(C(=O)Nc1ccc2cc[nH]c2c1)c1cccc(C(=O)c2ccccc2)c1;JIQPYCPHUZZMDT-UHFFFAOYSA-N;368.44;5.14;49799371;;;CHEMBL1172836;GENER;EPAM;25;0;"<a href=https://www.ebi.ac.uk/chembl/assay_report_card/CHEMBL1176651/  target=_blank>CHEMBL1176651</a>";;;;;;;;;-4.11;;;;;;;;;;;;"Mahindroo N, Connelly MC, Punchihewa C, Yang L, Yan B, Fujii N.: Amide conjugates of ketoprofen and indole as inhibitors of Gli1-mediated transcription in the Hedgehog pathway. Bioorg Med Chem, Volume 18 (13), 2010";ChEMBL
MM474403;MM474403;CCCN(C(=O)C(C)c1cccc(C(=O)c2ccccc2)c1)c1ccc2cc[nH]c2c1;VTUGOOXWWOIQNC-UHFFFAOYSA-N;410.52;5.95;;;;;GENER;EPAM;25;0;"<a href=https://www.ebi.ac.uk/chembl/assay_report_card/CHEMBL1176651/  target=_blank>CHEMBL1176651</a>";;;;;;;;;-4.15;;;;;;;;;;;;"Mahindroo N, Connelly MC, Punchihewa C, Yang L, Yan B, Fujii N.: Amide conjugates of ketoprofen and indole as inhibitors of Gli1-mediated transcription in the Hedgehog pathway. Bioorg Med Chem, Volume 18 (13), 2010";ChEMBL
MM474390;MM474390;CCC(c1cccc(O)c1)C(C)CN(C)C;KWTWDQCKEHXFFR-SMDDNHRTSA-N;221.34;3.08;9838022;;;CHEMBL1201776;GENER;EPAM;25;0;"<a href=https://www.ebi.ac.uk/chembl/assay_report_card/CHEMBL4323355/  target=_blank>CHEMBL4323355</a>";;;;;;;;;-4.87;;;;;;;;;;;;"Meyer MJ, Neumann VE, Friesacher HR, Zdrazil B, Brockmöller J, Tzvetkov MV.: Opioids as Substrates and Inhibitors of the Genetically Highly Variable Organic Cation Transporter OCT1. J Med Chem, Volume 62 (21), 2019";ChEMBL
MM473102;MM473102;CC(=O)NCC(=O)NCc1cccc(-n2nc(C(C)(C)C)cc2NC(=O)Nc2ccccc2)c1;CRQBPOBTROOFCT-UHFFFAOYSA-N;462.55;3.57;49862333;;;CHEMBL1209274;GENER;EPAM;25;0;"<a href=https://www.ebi.ac.uk/chembl/assay_report_card/CHEMBL1211974/  target=_blank>CHEMBL1211974</a>";;;;;;;;;-5.13;;;;;;;;;;;;"Liu H, Kuhn C, Feru F, Jacques SL, Deshmukh GD, Ye P, Rennie GR, Johnson T, Kazmirski S, Low S, Coli R, Ding YH, Cheng AC, Tecle H, English JM, Stanton R, Wu JC.: Enhanced selectivity profile of pyrazole-urea based DFG-out p38alpha inhibitors. Bioorg Med Chem Lett, Volume 20 (16), 2010";ChEMBL
MM473834;MM473834;CCCCCCCc1nc(-c2ccc(CNC(=O)C3NCCC3O)cc2)no1;CMLALAZUOVTKKV-HKUYNNGSSA-N;386.5;2.59;45256914;;;CHEMBL1209322;GENER;EPAM;25;0;"<a href=https://www.ebi.ac.uk/chembl/assay_report_card/CHEMBL1211764/  target=_blank>CHEMBL1211764</a>";;;;;;;;;-4.34;;;;;;;;;;;;"Xiang Y, Hirth B, Kane JL, Liao J, Noson KD, Yee C, Asmussen G, Fitzgerald M, Klaus C, Booker M.: Discovery of novel sphingosine kinase-1 inhibitors. Part 2. Bioorg Med Chem Lett, Volume 20 (15), 2010";ChEMBL
MM473103;MM473103;CC(C)(C)c1cc(NC(=O)Nc2ccccc2)n(-c2cccc(CNC(=O)Cn3ccccc3=O)c2)n1;WGGHULRIQOEEDJ-UHFFFAOYSA-N;498.59;4.29;49862494;;;CHEMBL1209482;GENER;EPAM;25;0;"<a href=https://www.ebi.ac.uk/chembl/assay_report_card/CHEMBL1211974/  target=_blank>CHEMBL1211974</a>";;;;;;;;;-4.89;;;;;;;;;;;;"Liu H, Kuhn C, Feru F, Jacques SL, Deshmukh GD, Ye P, Rennie GR, Johnson T, Kazmirski S, Low S, Coli R, Ding YH, Cheng AC, Tecle H, English JM, Stanton R, Wu JC.: Enhanced selectivity profile of pyrazole-urea based DFG-out p38alpha inhibitors. Bioorg Med Chem Lett, Volume 20 (16), 2010";ChEMBL
MM473104;MM473104;Cc1ccn(CC(=O)NCc2cccc(-n3nc(C(C)(C)C)cc3NC(=O)Nc3ccccc3)c2)n1;RSYZKXWSKXKYNU-UHFFFAOYSA-N;485.59;4.64;49862558;;;CHEMBL1209564;GENER;EPAM;25;0;"<a href=https://www.ebi.ac.uk/chembl/assay_report_card/CHEMBL1211974/  target=_blank>CHEMBL1211974</a>";;;;;;;;;-5.32;;;;;;;;;;;;"Liu H, Kuhn C, Feru F, Jacques SL, Deshmukh GD, Ye P, Rennie GR, Johnson T, Kazmirski S, Low S, Coli R, Ding YH, Cheng AC, Tecle H, English JM, Stanton R, Wu JC.: Enhanced selectivity profile of pyrazole-urea based DFG-out p38alpha inhibitors. Bioorg Med Chem Lett, Volume 20 (16), 2010";ChEMBL
MM473835;MM473835;CC(NC(=O)C1NCCC1O)c1ccc(-c2noc(CCC3CCCC3)n2)cc1;GDJANRNMFHNVOW-DCPHZVHLSA-N;398.51;2.76;46911228;;;CHEMBL1209617;GENER;EPAM;25;0;"<a href=https://www.ebi.ac.uk/chembl/assay_report_card/CHEMBL1211764/  target=_blank>CHEMBL1211764</a>";;;;;;;;;-4.31;;;;;;;;;;;;"Xiang Y, Hirth B, Kane JL, Liao J, Noson KD, Yee C, Asmussen G, Fitzgerald M, Klaus C, Booker M.: Discovery of novel sphingosine kinase-1 inhibitors. Part 2. Bioorg Med Chem Lett, Volume 20 (15), 2010";ChEMBL
MM473836;MM473836;CC(NC(=O)C1NCCC1O)c1ccc(-c2noc(CCC3CCCCC3)n2)cc1;GWRUOXQHIKZCTE-ZRCAFCQKSA-N;412.53;3.15;49862647;;;CHEMBL1209685;GENER;EPAM;25;0;"<a href=https://www.ebi.ac.uk/chembl/assay_report_card/CHEMBL1211764/  target=_blank>CHEMBL1211764</a>";;;;;;;;;-4.24;;;;;;;;;;;;"Xiang Y, Hirth B, Kane JL, Liao J, Noson KD, Yee C, Asmussen G, Fitzgerald M, Klaus C, Booker M.: Discovery of novel sphingosine kinase-1 inhibitors. Part 2. Bioorg Med Chem Lett, Volume 20 (15), 2010";ChEMBL
MM473837;MM473837;CCC(NC(=O)C1NCCC1O)c1ccc(-c2noc(CCC3CCCCC3)n2)cc1;OLDDAHJZTORONS-ONTIZHBOSA-N;426.56;3.54;46911229;;;CHEMBL1209686;GENER;EPAM;25;0;"<a href=https://www.ebi.ac.uk/chembl/assay_report_card/CHEMBL1211764/  target=_blank>CHEMBL1211764</a>";;;;;;;;;-4.36;;;;;;;;;;;;"Xiang Y, Hirth B, Kane JL, Liao J, Noson KD, Yee C, Asmussen G, Fitzgerald M, Klaus C, Booker M.: Discovery of novel sphingosine kinase-1 inhibitors. Part 2. Bioorg Med Chem Lett, Volume 20 (15), 2010";ChEMBL
MM474509;MM474509;CN(CCOc1ccc(CC2SC(=O)NC2=O)cc1)c1ccccn1;YASAKCUCGLMORW-UHFFFAOYSA-N;357.44;2.49;;;;;GENER;EPAM;25;0;"<a href=https://www.ebi.ac.uk/chembl/assay_report_card/CHEMBL3431937/  target=_blank>CHEMBL3431937</a>";;;;;;;;;-5.12;;;;;;;;;;;;"CHEMBL dataset: 10.6019/CHEMBL3431459";ChEMBL
MM473101;MM473101;CCOc1cc(CN2CCC(NC(=O)c3cncc(C)c3)CC2)cc(OCC)c1C;CMZXJSAVTRAMNW-UHFFFAOYSA-N;411.55;3.89;49862905;;;CHEMBL1210084;GENER;EPAM;25;0;"<a href=https://www.ebi.ac.uk/chembl/assay_report_card/CHEMBL1212339/  target=_blank>CHEMBL1212339</a>";;;;;;;;;-5.63;;;;;;;;;;;;"Alker A, Binggeli A, Christ AD, Green L, Maerki HP, Martin RE, Mohr P.: Piperidinyl-nicotinamides as potent and selective somatostatin receptor subtype 5 antagonists. Bioorg Med Chem Lett, Volume 20 (15), 2010";ChEMBL
MM473100;MM473100;CCOc1cc(CN2CCC(NC(=O)c3cncc(C)c3)CC2)cc(OCC)c1Cl;DOPXZUHPZHYPBJ-UHFFFAOYSA-N;431.96;4.24;49862906;;;CHEMBL1210085;GENER;EPAM;25;0;"<a href=https://www.ebi.ac.uk/chembl/assay_report_card/CHEMBL1212339/  target=_blank>CHEMBL1212339</a>";;;;;;;;;-5.42;;;;;;;;;;;;"Alker A, Binggeli A, Christ AD, Green L, Maerki HP, Martin RE, Mohr P.: Piperidinyl-nicotinamides as potent and selective somatostatin receptor subtype 5 antagonists. Bioorg Med Chem Lett, Volume 20 (15), 2010";ChEMBL
MM473099;MM473099;CCOc1cc(CN2CCC(NC(=O)c3ccc(N)nc3)CC2)cc(OCC)c1-c1ccc(F)cc1;QGLWUTISHLFURW-UHFFFAOYSA-N;492.6;4.66;49862929;;;CHEMBL1210142;GENER;EPAM;25;0;"<a href=https://www.ebi.ac.uk/chembl/assay_report_card/CHEMBL1212339/  target=_blank>CHEMBL1212339</a>";;;;;;;;;-5.86;;;;;;;;;;;;"Alker A, Binggeli A, Christ AD, Green L, Maerki HP, Martin RE, Mohr P.: Piperidinyl-nicotinamides as potent and selective somatostatin receptor subtype 5 antagonists. Bioorg Med Chem Lett, Volume 20 (15), 2010";ChEMBL
MM473098;MM473098;CCOc1cc(CN2CCC(NC(=O)c3ccc(NC(C)C)nc3)CC2)cc(OCC)c1F;YTAVDPJGDIZDSB-UHFFFAOYSA-N;458.58;4.23;49862930;;;CHEMBL1210143;GENER;EPAM;25;0;"<a href=https://www.ebi.ac.uk/chembl/assay_report_card/CHEMBL1212339/  target=_blank>CHEMBL1212339</a>";;;;;;;;;-5.62;;;;;;;;;;;;"Alker A, Binggeli A, Christ AD, Green L, Maerki HP, Martin RE, Mohr P.: Piperidinyl-nicotinamides as potent and selective somatostatin receptor subtype 5 antagonists. Bioorg Med Chem Lett, Volume 20 (15), 2010";ChEMBL
MM473097;MM473097;CCOc1cc(CN2CCC(NC(=O)c3ccc(NC)nc3)CC2)cc(OCC)c1-c1ccccc1;WXIPBSOPCYLJTO-UHFFFAOYSA-N;488.63;4.98;49862931;;;CHEMBL1210144;GENER;EPAM;25;0;"<a href=https://www.ebi.ac.uk/chembl/assay_report_card/CHEMBL1212339/  target=_blank>CHEMBL1212339</a>";;;;;;;;;-5.68;;;;;;;;;;;;"Alker A, Binggeli A, Christ AD, Green L, Maerki HP, Martin RE, Mohr P.: Piperidinyl-nicotinamides as potent and selective somatostatin receptor subtype 5 antagonists. Bioorg Med Chem Lett, Volume 20 (15), 2010";ChEMBL
MM473096;MM473096;CCOc1cc(CN2CCC(NC(=O)c3cncc(C)c3)CC2)cc(OCC)c1-c1ccc(F)cc1;XQGOSGUJZCQEOJ-UHFFFAOYSA-N;491.61;5.39;46911015;;;CHEMBL1210207;GENER;EPAM;25;0;"<a href=https://www.ebi.ac.uk/chembl/assay_report_card/CHEMBL1212339/  target=_blank>CHEMBL1212339</a>";;;;;;;;;-6.34;;;;;;;;;;;;"Alker A, Binggeli A, Christ AD, Green L, Maerki HP, Martin RE, Mohr P.: Piperidinyl-nicotinamides as potent and selective somatostatin receptor subtype 5 antagonists. Bioorg Med Chem Lett, Volume 20 (15), 2010";ChEMBL
MM473095;MM473095;CCOc1cc(CN2CCC(NC(=O)c3cncc(C)c3)CC2)cc(OCC)c1-c1ccccc1;NCVQBIQQTNMSSG-UHFFFAOYSA-N;473.62;5.25;49862960;;;CHEMBL1210208;GENER;EPAM;25;0;"<a href=https://www.ebi.ac.uk/chembl/assay_report_card/CHEMBL1212339/  target=_blank>CHEMBL1212339</a>";;;;;;;;;-6.19;;;;;;;;;;;;"Alker A, Binggeli A, Christ AD, Green L, Maerki HP, Martin RE, Mohr P.: Piperidinyl-nicotinamides as potent and selective somatostatin receptor subtype 5 antagonists. Bioorg Med Chem Lett, Volume 20 (15), 2010";ChEMBL
MM473094;MM473094;CCOc1cc(CN2CCC(NC(=O)c3ccc(NC)nc3)CC2)cc(OCC)c1-c1ccc(F)cc1;AKCGOXREZJOGPS-UHFFFAOYSA-N;506.62;5.12;49862961;;;CHEMBL1210209;GENER;EPAM;25;0;"<a href=https://www.ebi.ac.uk/chembl/assay_report_card/CHEMBL1212339/  target=_blank>CHEMBL1212339</a>";;;;;;;;;-5.91;;;;;;;;;;;;"Alker A, Binggeli A, Christ AD, Green L, Maerki HP, Martin RE, Mohr P.: Piperidinyl-nicotinamides as potent and selective somatostatin receptor subtype 5 antagonists. Bioorg Med Chem Lett, Volume 20 (15), 2010";ChEMBL
MM473093;MM473093;CCOc1cc(CN2CCC(NC(=O)c3ccc(N)nc3)CC2)cc(OCc2ccccc2)c1-c1ccc(F)cc1;VGTBCHGQRVWGCK-UHFFFAOYSA-N;554.67;5.84;49862962;;;CHEMBL1210210;GENER;EPAM;25;0;"<a href=https://www.ebi.ac.uk/chembl/assay_report_card/CHEMBL1212339/  target=_blank>CHEMBL1212339</a>";;;;;;;;;-6.85;;;;;;;;;;;;"Alker A, Binggeli A, Christ AD, Green L, Maerki HP, Martin RE, Mohr P.: Piperidinyl-nicotinamides as potent and selective somatostatin receptor subtype 5 antagonists. Bioorg Med Chem Lett, Volume 20 (15), 2010";ChEMBL
MM473092;MM473092;CCOc1cc(CN2CCC(NC(=O)c3ccc(NC)nc3)CC2)cc(OCC)c1F;NYHCZXKEQVHUAS-UHFFFAOYSA-N;430.52;3.45;49862994;;;CHEMBL1210268;GENER;EPAM;25;0;"<a href=https://www.ebi.ac.uk/chembl/assay_report_card/CHEMBL1212339/  target=_blank>CHEMBL1212339</a>";;;;;;;;;-5.53;;;;;;;;;;;;"Alker A, Binggeli A, Christ AD, Green L, Maerki HP, Martin RE, Mohr P.: Piperidinyl-nicotinamides as potent and selective somatostatin receptor subtype 5 antagonists. Bioorg Med Chem Lett, Volume 20 (15), 2010";ChEMBL
MM473090;MM473090;CCOc1cc(CN2CCC(NC(=O)c3cncc(C)c3)CC2)cc(OCC)c1F;QCJRQVJPUYADQP-UHFFFAOYSA-N;415.51;3.72;;;;;GENER;EPAM;25;0;"<a href=https://www.ebi.ac.uk/chembl/assay_report_card/CHEMBL1212339/  target=_blank>CHEMBL1212339</a>";;;;;;;;;-5.46;;;;;;;;;;;;"Alker A, Binggeli A, Christ AD, Green L, Maerki HP, Martin RE, Mohr P.: Piperidinyl-nicotinamides as potent and selective somatostatin receptor subtype 5 antagonists. Bioorg Med Chem Lett, Volume 20 (15), 2010";ChEMBL
MM473089;MM473089;CCOc1cc(CN2CCCC(NC(=O)c3cncc(C)c3)CC2)cc(OCC)c1-c1ccc(F)cc1;XOKQXPCDCRWFMF-UHFFFAOYSA-N;505.63;5.78;49863044;;;CHEMBL1210375;GENER;EPAM;25;0;"<a href=https://www.ebi.ac.uk/chembl/assay_report_card/CHEMBL1212339/  target=_blank>CHEMBL1212339</a>";;;;;;;;;-5.81;;;;;;;;;;;;"Alker A, Binggeli A, Christ AD, Green L, Maerki HP, Martin RE, Mohr P.: Piperidinyl-nicotinamides as potent and selective somatostatin receptor subtype 5 antagonists. Bioorg Med Chem Lett, Volume 20 (15), 2010";ChEMBL
MM473088;MM473088;CCOc1cc(CN2CC(NC(=O)c3cncc(C)c3)C2)cc(OCC)c1F;WISBOMVTORMKRV-UHFFFAOYSA-N;387.46;2.94;49863045;;;CHEMBL1210376;GENER;EPAM;25;0;"<a href=https://www.ebi.ac.uk/chembl/assay_report_card/CHEMBL1212339/  target=_blank>CHEMBL1212339</a>";;;;;;;;;-5.71;;;;;;;;;;;;"Alker A, Binggeli A, Christ AD, Green L, Maerki HP, Martin RE, Mohr P.: Piperidinyl-nicotinamides as potent and selective somatostatin receptor subtype 5 antagonists. Bioorg Med Chem Lett, Volume 20 (15), 2010";ChEMBL
MM473147;MM473147;NC(N)=NCCCC(N)C(=O)NC(Cc1c[nH]c2ccccc12)C(=O)NC(Cc1ccc(N=C(N)N)cc1)C(=O)NCc1ccccc1;HNFKXYNROBMUAI-ZXRKZBAXSA-N;653.79;1.14;46900727;;;CHEMBL1213699;GENER;EPAM;25;0;"<a href=https://www.ebi.ac.uk/chembl/assay_report_card/CHEMBL1769838/  target=_blank>CHEMBL1769838</a>";;;;;;;;;-6.33;;;;;;;;;;;;"Flaten GE, Kottra G, Stensen W, Isaksen G, Karstad R, Svendsen JS, Daniel H, Svenson J.: In vitro characterization of human peptide transporter hPEPT1 interactions and passive permeation studies of short cationic antimicrobial peptides. J Med Chem, Volume 54 (7), 2011";ChEMBL
MM473149;MM473149;NC(N)=NCCCC(N)C(=O)NC(CCCN=C(N)N)C(=O)NC(Cc1c[nH]c2ccccc12)C(=O)NCc1ccccc1;FVKULCSGIXKHIC-HVCNVCAESA-N;605.75;-0.15;49863571;;;CHEMBL1213702;GENER;EPAM;25;0;"<a href=https://www.ebi.ac.uk/chembl/assay_report_card/CHEMBL1769838/  target=_blank>CHEMBL1769838</a>";;;;;;;;;-6.02;;;;;;;;;;;;"Flaten GE, Kottra G, Stensen W, Isaksen G, Karstad R, Svendsen JS, Daniel H, Svenson J.: In vitro characterization of human peptide transporter hPEPT1 interactions and passive permeation studies of short cationic antimicrobial peptides. J Med Chem, Volume 54 (7), 2011";ChEMBL
MM473148;MM473148;NC(N)=NCCCC(N)C(=O)NC(Cc1ccc(N=C(N)N)cc1)C(=O)NC(Cc1c[nH]c2ccccc12)C(=O)NCc1ccccc1;WINIFJNDPLPGFU-ZXRKZBAXSA-N;653.79;1.14;46900729;;;CHEMBL1213703;GENER;EPAM;25;0;"<a href=https://www.ebi.ac.uk/chembl/assay_report_card/CHEMBL1769838/  target=_blank>CHEMBL1769838</a>";;;;;;;;;-6.42;;;;;;;;;;;;"Flaten GE, Kottra G, Stensen W, Isaksen G, Karstad R, Svendsen JS, Daniel H, Svenson J.: In vitro characterization of human peptide transporter hPEPT1 interactions and passive permeation studies of short cationic antimicrobial peptides. J Med Chem, Volume 54 (7), 2011";ChEMBL
MM473146;MM473146;NC(N)=NCCCC(N)C(=O)NC(Cc1c[nH]c2ccccc12)C(=O)NC(CCCN=C(N)N)C(=O)NCc1ccccc1;HMRLQEZRHQRGFB-HVCNVCAESA-N;605.75;-0.15;49863969;;;CHEMBL1214623;GENER;EPAM;25;0;"<a href=https://www.ebi.ac.uk/chembl/assay_report_card/CHEMBL1769838/  target=_blank>CHEMBL1769838</a>";;;;;;;;;-6.11;;;;;;;;;;;;"Flaten GE, Kottra G, Stensen W, Isaksen G, Karstad R, Svendsen JS, Daniel H, Svenson J.: In vitro characterization of human peptide transporter hPEPT1 interactions and passive permeation studies of short cationic antimicrobial peptides. J Med Chem, Volume 54 (7), 2011";ChEMBL
MM473142;MM473142;NC(N)=NCCCC(N)C(=O)NC(Cc1ccccc1)C(=O)NC(CCCN=C(N)N)C(=O)NCc1ccccc1;HRWXERFIJUKLGF-VABKMULXSA-N;566.71;-0.63;49863970;;;CHEMBL1214624;GENER;EPAM;25;0;"<a href=https://www.ebi.ac.uk/chembl/assay_report_card/CHEMBL1769838/  target=_blank>CHEMBL1769838</a>";;;;;;;;;-5.64;;;;;;;;;;;;"Flaten GE, Kottra G, Stensen W, Isaksen G, Karstad R, Svendsen JS, Daniel H, Svenson J.: In vitro characterization of human peptide transporter hPEPT1 interactions and passive permeation studies of short cationic antimicrobial peptides. J Med Chem, Volume 54 (7), 2011";ChEMBL
MM473144;MM473144;NC(N)=NCCCC(N)C(=O)NC(C(=O)NC(CCCN=C(N)N)C(=O)NCc1ccccc1)C(c1ccccc1)c1ccccc1;RIYVSJKWUAHLBF-YCVJPRETSA-N;642.81;0.96;46900554;;;CHEMBL1214625;GENER;EPAM;25;0;"<a href=https://www.ebi.ac.uk/chembl/assay_report_card/CHEMBL1769838/  target=_blank>CHEMBL1769838</a>";;;;;;;;;-6.38;;;;;;;;;;;;"Flaten GE, Kottra G, Stensen W, Isaksen G, Karstad R, Svendsen JS, Daniel H, Svenson J.: In vitro characterization of human peptide transporter hPEPT1 interactions and passive permeation studies of short cationic antimicrobial peptides. J Med Chem, Volume 54 (7), 2011";ChEMBL
MM474404;MM474404;Cc1nc2nc(C(=O)N3CCCC3)cn2c(-c2ccc(Cl)cc2Cl)c1CN;BULFOJDUFCMBCV-UHFFFAOYSA-N;404.3;3.71;11567606;;;CHEMBL1214942;GENER;EPAM;25;0;"<a href=https://www.ebi.ac.uk/chembl/assay_report_card/CHEMBL1218974/  target=_blank>CHEMBL1218974</a>";;;;;;;;;-4.29;;;;;;;;;;;;"Meng W, Brigance RP, Chao HJ, Fura A, Harrity T, Marcinkeviciene J, O'Connor SP, Tamura JK, Xie D, Zhang Y, Klei HE, Kish K, Weigelt CA, Turdi H, Wang A, Zahler R, Kirby MS, Hamann LG.: Discovery of 6-(aminomethyl)-5-(2,4-dichlorophenyl)-7-methylimidazo[1,2-a]pyrimidine-2-carboxamides as potent, selective dipeptidyl peptidase-4 (DPP4) inhibitors. J Med Chem, Volume 53 (15), 2010";ChEMBL
MM471518;MM471518;CCN1CCCC1CNC(=O)c1ccc(-c2cnc3ccc(NCC4CC4)nn23)cc1;IUTRAWUFJOFGJK-FQEVSTJZSA-N;418.55;3.43;49865433;;;CHEMBL1221431;GENER;EPAM;25;0;"ph = 7.4, <a href=https://www.ebi.ac.uk/chembl/assay_report_card/CHEMBL1228256/  target=_blank>CHEMBL1228256</a>";;;;;;;;;-4.64;;;;;;;;;;;;"Shimizu H, Tanaka S, Toki T, Yasumatsu I, Akimoto T, Morishita K, Yamasaki T, Yasukochi T, Iimura S.: Discovery of imidazo[1,2-b]pyridazine derivatives as IKKbeta inhibitors. Part 1: Hit-to-lead study and structure-activity relationship. Bioorg Med Chem Lett, Volume 20 (17), 2010";ChEMBL
MM473105;MM473105;CS(=O)(=O)N1CC(C(=O)Nc2ccc(Cl)cc2)C(C(=O)Nc2ccc(N3CCOCC3=O)cc2)C1;SGRMXGOTTNMVGI-PMACEKPBSA-N;521;1.79;11752747;;;CHEMBL1221537;GENER;EPAM;25;0;"<a href=https://www.ebi.ac.uk/chembl/assay_report_card/CHEMBL1227183/  target=_blank>CHEMBL1227183</a>";;;;;;;;;-6.34;;;;;;;;;;;;"Anselm L, Banner DW, Benz J, Zbinden KG, Himber J, Hilpert H, Huber W, Kuhn B, Mary JL, Otteneder MB, Panday N, Ricklin F, Stahl M, Thomi S, Haap W.: Discovery of a factor Xa inhibitor (3R,4R)-1-(2,2-difluoro-ethyl)-pyrrolidine-3,4-dicarboxylic acid 3-[(5-chloro-pyridin-2-yl)-amide] 4-[[2-fluoro-4-(2-oxo-2H-pyridin-1-yl)-phenyl]-amide] as a clinical candidate. Bioorg Med Chem Lett, Volume 20 (17), 2010";ChEMBL
MM474407;MM474407;O=C(Nc1ccc(F)nc1)[C@@H]1CCCN1c1nc(Nc2cc(C3CC3)[nH]n2)c2cccn2n1;KXJSNGUMWGPTMJ-KRWDZBQOSA-N;447.48;3.22;;;;;GENER;EPAM;25;0;"<a href=https://www.ebi.ac.uk/chembl/assay_report_card/CHEMBL1228262/  target=_blank>CHEMBL1228262</a>";;;;;;;;;-4.11;;;;;;;;;;;;"Sampognaro AJ, Wittman MD, Carboni JM, Chang C, Greer AF, Hurlburt WW, Sack JS, Vyas DM.: Proline isosteres in a series of 2,4-disubstituted pyrrolo[1,2-f][1,2,4]triazine inhibitors of IGF-1R kinase and IR kinase. Bioorg Med Chem Lett, Volume 20 (17), 2010";ChEMBL
MM474408;MM474408;O=C(c1ccc(F)nc1)N1CCC[C@H]1c1nc(Nc2cc(C3CC3)[nH]n2)c2cccn2n1;XXGADWBTSMHVDF-INIZCTEOSA-N;432.46;3.58;;;;;GENER;EPAM;25;0;"<a href=https://www.ebi.ac.uk/chembl/assay_report_card/CHEMBL1228262/  target=_blank>CHEMBL1228262</a>";;;;;;;;;-4.14;;;;;;;;;;;;"Sampognaro AJ, Wittman MD, Carboni JM, Chang C, Greer AF, Hurlburt WW, Sack JS, Vyas DM.: Proline isosteres in a series of 2,4-disubstituted pyrrolo[1,2-f][1,2,4]triazine inhibitors of IGF-1R kinase and IR kinase. Bioorg Med Chem Lett, Volume 20 (17), 2010";ChEMBL
MM474409;MM474409;O=C(c1ccc(F)nc1)N1CCC[C@@H]1c1nc(Nc2cc(C3CC3)[nH]n2)c2cccn2n1;XXGADWBTSMHVDF-MRXNPFEDSA-N;432.46;3.58;;;;;GENER;EPAM;25;0;"<a href=https://www.ebi.ac.uk/chembl/assay_report_card/CHEMBL1228262/  target=_blank>CHEMBL1228262</a>";;;;;;;;;-4.03;;;;;;;;;;;;"Sampognaro AJ, Wittman MD, Carboni JM, Chang C, Greer AF, Hurlburt WW, Sack JS, Vyas DM.: Proline isosteres in a series of 2,4-disubstituted pyrrolo[1,2-f][1,2,4]triazine inhibitors of IGF-1R kinase and IR kinase. Bioorg Med Chem Lett, Volume 20 (17), 2010";ChEMBL
MM474410;MM474410;O=C1CC[C@@H](c2nc(Nc3cc(C4CC4)[nH]n3)c3cccn3n2)N1C(=O)c1ccc(F)nc1;NDHRVVQUROWSOW-INIZCTEOSA-N;446.45;3.11;;;;;GENER;EPAM;25;0;"<a href=https://www.ebi.ac.uk/chembl/assay_report_card/CHEMBL1228262/  target=_blank>CHEMBL1228262</a>";;;;;;;;;-4.22;;;;;;;;;;;;"Sampognaro AJ, Wittman MD, Carboni JM, Chang C, Greer AF, Hurlburt WW, Sack JS, Vyas DM.: Proline isosteres in a series of 2,4-disubstituted pyrrolo[1,2-f][1,2,4]triazine inhibitors of IGF-1R kinase and IR kinase. Bioorg Med Chem Lett, Volume 20 (17), 2010";ChEMBL
MM474412;MM474412;O=C(Nc1ccc(F)nc1)C1=C(c2nc(Nc3cc(C4CC4)[nH]n3)c3cccn3n2)CCC1;QNHVQEHQTFEODG-UHFFFAOYSA-N;444.47;4.18;;;;;GENER;EPAM;25;0;"<a href=https://www.ebi.ac.uk/chembl/assay_report_card/CHEMBL1228262/  target=_blank>CHEMBL1228262</a>";;;;;;;;;-4.09;;;;;;;;;;;;"Sampognaro AJ, Wittman MD, Carboni JM, Chang C, Greer AF, Hurlburt WW, Sack JS, Vyas DM.: Proline isosteres in a series of 2,4-disubstituted pyrrolo[1,2-f][1,2,4]triazine inhibitors of IGF-1R kinase and IR kinase. Bioorg Med Chem Lett, Volume 20 (17), 2010";ChEMBL
MM474413;MM474413;O=C(NCc1nc(Nc2cc(C3CC3)n[nH]2)c2cccn2n1)c1ccc(F)nc1;FQECDJFBKXFTIW-UHFFFAOYSA-N;392.4;2.54;;;;;GENER;EPAM;25;0;"<a href=https://www.ebi.ac.uk/chembl/assay_report_card/CHEMBL1228262/  target=_blank>CHEMBL1228262</a>";;;;;;;;;-4.28;;;;;;;;;;;;"Sampognaro AJ, Wittman MD, Carboni JM, Chang C, Greer AF, Hurlburt WW, Sack JS, Vyas DM.: Proline isosteres in a series of 2,4-disubstituted pyrrolo[1,2-f][1,2,4]triazine inhibitors of IGF-1R kinase and IR kinase. Bioorg Med Chem Lett, Volume 20 (17), 2010";ChEMBL
MM471595;MM471595;O=C(NCC1CCCN1)c1ccc(-c2cnc3ccc(NCC4CC4)nn23)cc1;VDTACYBUGLTWCI-SFHVURJKSA-N;390.49;2.7;46933384;;;CHEMBL1222990;GENER;EPAM;25;0;"ph = 7.4, <a href=https://www.ebi.ac.uk/chembl/assay_report_card/CHEMBL1809899/  target=_blank>CHEMBL1809899</a>";;;;;;;;;-6.08;;;;;;;;;;;;"Shimizu H, Yamasaki T, Yoneda Y, Muro F, Hamada T, Yasukochi T, Tanaka S, Toki T, Yokoyama M, Morishita K, Iimura S.: Discovery of imidazo[1,2-b]pyridazines as IKKβ inhibitors. Part 3: exploration of effective compounds in arthritis models. Bioorg Med Chem Lett, Volume 21 (15), 2011";ChEMBL
MM471517;MM471517;CN(C)CCNC(=O)c1ccc(-c2cnc3ccc(NCC4CC4)nn23)cc1;DVIFVYZZPLRXHC-UHFFFAOYSA-N;378.48;2.51;24959046;;;CHEMBL1223203;GENER;EPAM;25;0;"ph = 7.4, <a href=https://www.ebi.ac.uk/chembl/assay_report_card/CHEMBL1228256/  target=_blank>CHEMBL1228256</a>";;;;;;;;;-4.3;;;;;;;;;;;;"Shimizu H, Tanaka S, Toki T, Yasumatsu I, Akimoto T, Morishita K, Yamasaki T, Yasukochi T, Iimura S.: Discovery of imidazo[1,2-b]pyridazine derivatives as IKKbeta inhibitors. Part 1: Hit-to-lead study and structure-activity relationship. Bioorg Med Chem Lett, Volume 20 (17), 2010";ChEMBL
MM471519;MM471519;O=C(NCC1CCCCN1)c1ccc(-c2cnc3ccc(NCC4CC4)nn23)cc1;VCULOSHGZWNQPI-IBGZPJMESA-N;404.52;3.09;46933383;;;CHEMBL1223289;GENER;EPAM;25;0;"ph = 7.4, <a href=https://www.ebi.ac.uk/chembl/assay_report_card/CHEMBL1228256/  target=_blank>CHEMBL1228256</a>";;;;;;;;;-5.64;;;;;;;;;;;;"Shimizu H, Tanaka S, Toki T, Yasumatsu I, Akimoto T, Morishita K, Yamasaki T, Yasukochi T, Iimura S.: Discovery of imidazo[1,2-b]pyridazine derivatives as IKKbeta inhibitors. Part 1: Hit-to-lead study and structure-activity relationship. Bioorg Med Chem Lett, Volume 20 (17), 2010";ChEMBL
Lisinopril;MM00763;NCCCCC(NC(CCc1ccccc1)C(=O)O)C(=O)N1CCCC1C(=O)O;RLAWWYSOJDYHDC-UHFFFAOYSA-N;405.5;1.24;5362119;DB00722;LPR;CHEMBL1237;GENER;EPAM;25;0;"ph = 6.5, <a href=https://www.ebi.ac.uk/chembl/assay_report_card/CHEMBL1046150/  target=_blank>CHEMBL1046150</a>";;;;;;;;;-6.22;;;;;;;;;;;;"Tam KY, Avdeef A, Tsinman O, Sun N.: The permeation of amphoteric drugs through artificial membranes--an in combo absorption model based on paracellular and transmembrane permeability. J Med Chem, Volume 53 (1), 392-401, 2010";ChEMBL
MM474387;MM474387;CN1CC[C@@]23CCCC[C@@H]2[C@@H]1Cc1ccc(O)cc13;JAQUASYNZVUNQP-PVAVHDDUSA-N;257.38;3.08;;;;;GENER;EPAM;25;0;"<a href=https://www.ebi.ac.uk/chembl/assay_report_card/CHEMBL4323355/  target=_blank>CHEMBL4323355</a>";;;;;;;;;-5.27;;;;;;;;;;;;"Meyer MJ, Neumann VE, Friesacher HR, Zdrazil B, Brockmöller J, Tzvetkov MV.: Opioids as Substrates and Inhibitors of the Genetically Highly Variable Organic Cation Transporter OCT1. J Med Chem, Volume 62 (21), 2019";ChEMBL
MM471557;MM471557;Cc1cc(NC(=O)Nc2ccc(Cl)cc2)c2ccccc2n1;JQMQNDGGSXZDNL-UHFFFAOYSA-N;311.77;4.84;3524522;;;CHEMBL1254870;GENER;EPAM;25;0;"ph = 7.4, <a href=https://www.ebi.ac.uk/chembl/assay_report_card/CHEMBL1696258/  target=_blank>CHEMBL1696258</a>";;;;;;;;;-3.27;;;;;;;;;;;;"Zhang Y, Anderson M, Weisman JL, Lu M, Choy CJ, Boyd VA, Price J, Sigal M, Clark J, Connelly M, Zhu F, Guiguemde WA, Jeffries C, Yang L, Lemoff A, Liou AP, Webb TR, Derisi JL, Guy RK.: Evaluation of Diarylureas for Activity Against Plasmodium falciparum. ACS Med Chem Lett, Volume 1 (9), 2010";ChEMBL
MM471523;MM471523;CCc1c(C)[nH]c2cc(OC)c(F)cc2c1=O;ZCUUVDIRRJZGFY-UHFFFAOYSA-N;235.26;2.55;49781244;;;CHEMBL1255728;GENER;EPAM;25;0;"ph = 7.4, <a href=https://www.ebi.ac.uk/chembl/assay_report_card/CHEMBL1261030/  target=_blank>CHEMBL1261030</a>";;;;;;;;;-4.72;;;;;;;;;;;;"Cross RM, Monastyrskyi A, Mutka TS, Burrows JN, Kyle DE, Manetsch R.: Endochin optimization: structure-activity and structure-property relationship studies of 3-substituted 2-methyl-4(1H)-quinolones with antimalarial activity. J Med Chem, Volume 53 (19), 2010";ChEMBL
MM471524;MM471524;CCc1c(C)[nH]c2cc(OC)c(Cl)cc2c1=O;;251.71;3.06;49781245;;;CHEMBL1255729;GENER;EPAM;25;0;"ph = 4, <a href=https://www.ebi.ac.uk/chembl/assay_report_card/CHEMBL1261031/  target=_blank>CHEMBL1261031</a>";;;;;;;;;-4.02;;;;;;;;;;;;"Cross RM, Monastyrskyi A, Mutka TS, Burrows JN, Kyle DE, Manetsch R.: Endochin optimization: structure-activity and structure-property relationship studies of 3-substituted 2-methyl-4(1H)-quinolones with antimalarial activity. J Med Chem, Volume 53 (19), 2010";ChEMBL
MM471524;MM471524;CCc1c(C)[nH]c2cc(OC)c(Cl)cc2c1=O;;251.71;3.06;49781245;;;CHEMBL1255729;GENER;EPAM;25;0;"ph = 7.4, <a href=https://www.ebi.ac.uk/chembl/assay_report_card/CHEMBL1261030/  target=_blank>CHEMBL1261030</a>";;;;;;;;;-4.24;;;;;;;;;;;;"Cross RM, Monastyrskyi A, Mutka TS, Burrows JN, Kyle DE, Manetsch R.: Endochin optimization: structure-activity and structure-property relationship studies of 3-substituted 2-methyl-4(1H)-quinolones with antimalarial activity. J Med Chem, Volume 53 (19), 2010";ChEMBL
MM471525;MM471525;CCc1c(C)[nH]c2cc(OC)c(Br)cc2c1=O;;296.16;3.17;49781246;;;CHEMBL1255730;GENER;EPAM;25;0;"ph = 4, <a href=https://www.ebi.ac.uk/chembl/assay_report_card/CHEMBL1261031/  target=_blank>CHEMBL1261031</a>";;;;;;;;;-4.09;;;;;;;;;;;;"Cross RM, Monastyrskyi A, Mutka TS, Burrows JN, Kyle DE, Manetsch R.: Endochin optimization: structure-activity and structure-property relationship studies of 3-substituted 2-methyl-4(1H)-quinolones with antimalarial activity. J Med Chem, Volume 53 (19), 2010";ChEMBL
MM471525;MM471525;CCc1c(C)[nH]c2cc(OC)c(Br)cc2c1=O;;296.16;3.17;49781246;;;CHEMBL1255730;GENER;EPAM;25;0;"ph = 7.4, <a href=https://www.ebi.ac.uk/chembl/assay_report_card/CHEMBL1261030/  target=_blank>CHEMBL1261030</a>";;;;;;;;;-4.12;;;;;;;;;;;;"Cross RM, Monastyrskyi A, Mutka TS, Burrows JN, Kyle DE, Manetsch R.: Endochin optimization: structure-activity and structure-property relationship studies of 3-substituted 2-methyl-4(1H)-quinolones with antimalarial activity. J Med Chem, Volume 53 (19), 2010";ChEMBL
MM471528;MM471528;COc1cc2[nH]c(C)cc(=O)c2cc1Cl;;223.66;2.5;49781464;;;CHEMBL1255776;GENER;EPAM;25;0;"ph = 4, <a href=https://www.ebi.ac.uk/chembl/assay_report_card/CHEMBL1261031/  target=_blank>CHEMBL1261031</a>";;;;;;;;;-4.92;;;;;;;;;;;;"Cross RM, Monastyrskyi A, Mutka TS, Burrows JN, Kyle DE, Manetsch R.: Endochin optimization: structure-activity and structure-property relationship studies of 3-substituted 2-methyl-4(1H)-quinolones with antimalarial activity. J Med Chem, Volume 53 (19), 2010";ChEMBL
MM471528;MM471528;COc1cc2[nH]c(C)cc(=O)c2cc1Cl;;223.66;2.5;49781464;;;CHEMBL1255776;GENER;EPAM;25;0;"ph = 7.4, <a href=https://www.ebi.ac.uk/chembl/assay_report_card/CHEMBL1261030/  target=_blank>CHEMBL1261030</a>";;;;;;;;;-4.6;;;;;;;;;;;;"Cross RM, Monastyrskyi A, Mutka TS, Burrows JN, Kyle DE, Manetsch R.: Endochin optimization: structure-activity and structure-property relationship studies of 3-substituted 2-methyl-4(1H)-quinolones with antimalarial activity. J Med Chem, Volume 53 (19), 2010";ChEMBL
MM471531;MM471531;COc1ccc2c(=O)cc(C)[nH]c2c1;VXLZVELXYBOECH-UHFFFAOYSA-N;189.21;1.85;4250952;;;CHEMBL1256108;GENER;EPAM;25;0;"ph = 7.4, <a href=https://www.ebi.ac.uk/chembl/assay_report_card/CHEMBL1261030/  target=_blank>CHEMBL1261030</a>";;;;;;;;;-5.05;;;;;;;;;;;;"Cross RM, Monastyrskyi A, Mutka TS, Burrows JN, Kyle DE, Manetsch R.: Endochin optimization: structure-activity and structure-property relationship studies of 3-substituted 2-methyl-4(1H)-quinolones with antimalarial activity. J Med Chem, Volume 53 (19), 2010";ChEMBL
MM471532;MM471532;Cc1cc(=O)c2ccccc2[nH]1;;159.19;1.84;69089;;;CHEMBL1256109;GENER;EPAM;25;0;"ph = 4, <a href=https://www.ebi.ac.uk/chembl/assay_report_card/CHEMBL1261031/  target=_blank>CHEMBL1261031</a>";;;;;;;;;-5.81;;;;;;;;;;;;"Cross RM, Monastyrskyi A, Mutka TS, Burrows JN, Kyle DE, Manetsch R.: Endochin optimization: structure-activity and structure-property relationship studies of 3-substituted 2-methyl-4(1H)-quinolones with antimalarial activity. J Med Chem, Volume 53 (19), 2010";ChEMBL
MM471532;MM471532;Cc1cc(=O)c2ccccc2[nH]1;;159.19;1.84;69089;;;CHEMBL1256109;GENER;EPAM;25;0;"ph = 7.4, <a href=https://www.ebi.ac.uk/chembl/assay_report_card/CHEMBL1261030/  target=_blank>CHEMBL1261030</a>";;;;;;;;;-5.81;;;;;;;;;;;;"Cross RM, Monastyrskyi A, Mutka TS, Burrows JN, Kyle DE, Manetsch R.: Endochin optimization: structure-activity and structure-property relationship studies of 3-substituted 2-methyl-4(1H)-quinolones with antimalarial activity. J Med Chem, Volume 53 (19), 2010";ChEMBL
MM471533;MM471533;Cc1[nH]c2ccccc2c(=O)c1C1CCCCC1;;241.33;3.88;49780578;;;CHEMBL1256166;GENER;EPAM;25;0;"ph = 4, <a href=https://www.ebi.ac.uk/chembl/assay_report_card/CHEMBL1261031/  target=_blank>CHEMBL1261031</a>";;;;;;;;;-3.58;;;;;;;;;;;;"Cross RM, Monastyrskyi A, Mutka TS, Burrows JN, Kyle DE, Manetsch R.: Endochin optimization: structure-activity and structure-property relationship studies of 3-substituted 2-methyl-4(1H)-quinolones with antimalarial activity. J Med Chem, Volume 53 (19), 2010";ChEMBL
MM471533;MM471533;Cc1[nH]c2ccccc2c(=O)c1C1CCCCC1;;241.33;3.88;49780578;;;CHEMBL1256166;GENER;EPAM;25;0;"ph = 7.4, <a href=https://www.ebi.ac.uk/chembl/assay_report_card/CHEMBL1261030/  target=_blank>CHEMBL1261030</a>";;;;;;;;;-3.64;;;;;;;;;;;;"Cross RM, Monastyrskyi A, Mutka TS, Burrows JN, Kyle DE, Manetsch R.: Endochin optimization: structure-activity and structure-property relationship studies of 3-substituted 2-methyl-4(1H)-quinolones with antimalarial activity. J Med Chem, Volume 53 (19), 2010";ChEMBL
MM471534;MM471534;Cc1[nH]c2ccccc2c(=O)c1-c1ccccc1;;235.29;3.5;219141;;;CHEMBL1256167;GENER;EPAM;25;0;"ph = 4, <a href=https://www.ebi.ac.uk/chembl/assay_report_card/CHEMBL1261031/  target=_blank>CHEMBL1261031</a>";;;;;;;;;-4.78;;;;;;;;;;;;"Cross RM, Monastyrskyi A, Mutka TS, Burrows JN, Kyle DE, Manetsch R.: Endochin optimization: structure-activity and structure-property relationship studies of 3-substituted 2-methyl-4(1H)-quinolones with antimalarial activity. J Med Chem, Volume 53 (19), 2010";ChEMBL
MM471534;MM471534;Cc1[nH]c2ccccc2c(=O)c1-c1ccccc1;;235.29;3.5;219141;;;CHEMBL1256167;GENER;EPAM;25;0;"ph = 7.4, <a href=https://www.ebi.ac.uk/chembl/assay_report_card/CHEMBL1261030/  target=_blank>CHEMBL1261030</a>";;;;;;;;;-4.48;;;;;;;;;;;;"Cross RM, Monastyrskyi A, Mutka TS, Burrows JN, Kyle DE, Manetsch R.: Endochin optimization: structure-activity and structure-property relationship studies of 3-substituted 2-methyl-4(1H)-quinolones with antimalarial activity. J Med Chem, Volume 53 (19), 2010";ChEMBL
MM471535;MM471535;Cc1[nH]c2ccccc2c(=O)c1Cc1ccccc1;;249.31;3.43;14661520;;;CHEMBL1256168;GENER;EPAM;25;0;"ph = 4, <a href=https://www.ebi.ac.uk/chembl/assay_report_card/CHEMBL1261031/  target=_blank>CHEMBL1261031</a>";;;;;;;;;-3.96;;;;;;;;;;;;"Cross RM, Monastyrskyi A, Mutka TS, Burrows JN, Kyle DE, Manetsch R.: Endochin optimization: structure-activity and structure-property relationship studies of 3-substituted 2-methyl-4(1H)-quinolones with antimalarial activity. J Med Chem, Volume 53 (19), 2010";ChEMBL
MM471535;MM471535;Cc1[nH]c2ccccc2c(=O)c1Cc1ccccc1;;249.31;3.43;14661520;;;CHEMBL1256168;GENER;EPAM;25;0;"ph = 7.4, <a href=https://www.ebi.ac.uk/chembl/assay_report_card/CHEMBL1261030/  target=_blank>CHEMBL1261030</a>";;;;;;;;;-3.99;;;;;;;;;;;;"Cross RM, Monastyrskyi A, Mutka TS, Burrows JN, Kyle DE, Manetsch R.: Endochin optimization: structure-activity and structure-property relationship studies of 3-substituted 2-methyl-4(1H)-quinolones with antimalarial activity. J Med Chem, Volume 53 (19), 2010";ChEMBL
MM474414;MM474414;CC(NP(=O)(OCC1OC(n2ccc(=O)[nH]c2=O)C(C)(F)C1O)Oc1ccc(F)cc1)C(=O)OC1CCCCC1;RJMVGAZAYOUNNR-WQZFGADUSA-N;587.51;2.72;49781718;;;CHEMBL1256261;GENER;EPAM;25;0;"<a href=https://www.ebi.ac.uk/chembl/assay_report_card/CHEMBL1261497/  target=_blank>CHEMBL1261497</a>";;;;;;;;;-6.31;;;;;;;;;;;;"Sofia MJ, Bao D, Chang W, Du J, Nagarathnam D, Rachakonda S, Reddy PG, Ross BS, Wang P, Zhang HR, Bansal S, Espiritu C, Keilman M, Lam AM, Steuer HM, Niu C, Otto MJ, Furman PA.: Discovery of a β-d-2'-deoxy-2'-α-fluoro-2'-β-C-methyluridine nucleotide prodrug (PSI-7977) for the treatment of hepatitis C virus. J Med Chem, Volume 53 (19), 2010";ChEMBL
MM472011;MM472011;OCc1cc(OCC(O)CNC2CCN(c3ncnc4scc(-c5ccccc5)c34)CC2)ccc1O;;506.63;3.55;24936626;;;CHEMBL1257555;GENER;EPAM;25;0;"ph = 5, <a href=https://www.ebi.ac.uk/chembl/assay_report_card/CHEMBL1261332/  target=_blank>CHEMBL1261332</a>";;;;;;;;;-6;;;;;;;;;;;;"Tasler S, Baumgartner R, Ammendola A, Schachtner J, Wieber T, Blisse M, Rath S, Zaja M, Klahn P, Quotschalla U, Ney P.: Thienopyrimidines as β3-adrenoceptor agonists: hit-to-lead optimization. Bioorg Med Chem Lett, Volume 20 (20), 2010";ChEMBL
MM472011;MM472011;OCc1cc(OCC(O)CNC2CCN(c3ncnc4scc(-c5ccccc5)c34)CC2)ccc1O;;506.63;3.55;24936626;;;CHEMBL1257555;GENER;EPAM;25;0;"ph = 7.4, <a href=https://www.ebi.ac.uk/chembl/assay_report_card/CHEMBL1261333/  target=_blank>CHEMBL1261333</a>";;;;;;;;;-6;;;;;;;;;;;;"Tasler S, Baumgartner R, Ammendola A, Schachtner J, Wieber T, Blisse M, Rath S, Zaja M, Klahn P, Quotschalla U, Ney P.: Thienopyrimidines as β3-adrenoceptor agonists: hit-to-lead optimization. Bioorg Med Chem Lett, Volume 20 (20), 2010";ChEMBL
MM472451;MM472451;COc1cc2[nH]c(C)c(-c3ccccc3)c(=O)c2cc1F;PZBQAAWRKADPPR-UHFFFAOYSA-N;283.3;3.65;49781241;;;CHEMBL1257902;GENER;EPAM;25;0;"ph = 4, <a href=https://www.ebi.ac.uk/chembl/assay_report_card/CHEMBL1261031/  target=_blank>CHEMBL1261031</a>";;;;;;;;;-3.72;;;;;;;;;;;;"Cross RM, Monastyrskyi A, Mutka TS, Burrows JN, Kyle DE, Manetsch R.: Endochin optimization: structure-activity and structure-property relationship studies of 3-substituted 2-methyl-4(1H)-quinolones with antimalarial activity. J Med Chem, Volume 53 (19), 2010";ChEMBL
MM471521;MM471521;COc1cc2[nH]c(C)c(-c3ccccc3)c(=O)c2cc1Cl;;299.76;4.17;49781242;;;CHEMBL1257903;GENER;EPAM;25;0;"ph = 4, <a href=https://www.ebi.ac.uk/chembl/assay_report_card/CHEMBL1261031/  target=_blank>CHEMBL1261031</a>";;;;;;;;;-3.98;;;;;;;;;;;;"Cross RM, Monastyrskyi A, Mutka TS, Burrows JN, Kyle DE, Manetsch R.: Endochin optimization: structure-activity and structure-property relationship studies of 3-substituted 2-methyl-4(1H)-quinolones with antimalarial activity. J Med Chem, Volume 53 (19), 2010";ChEMBL
MM471521;MM471521;COc1cc2[nH]c(C)c(-c3ccccc3)c(=O)c2cc1Cl;;299.76;4.17;49781242;;;CHEMBL1257903;GENER;EPAM;25;0;"ph = 7.4, <a href=https://www.ebi.ac.uk/chembl/assay_report_card/CHEMBL1261030/  target=_blank>CHEMBL1261030</a>";;;;;;;;;-4.32;;;;;;;;;;;;"Cross RM, Monastyrskyi A, Mutka TS, Burrows JN, Kyle DE, Manetsch R.: Endochin optimization: structure-activity and structure-property relationship studies of 3-substituted 2-methyl-4(1H)-quinolones with antimalarial activity. J Med Chem, Volume 53 (19), 2010";ChEMBL
MM471522;MM471522;COc1cc2[nH]c(C)c(-c3ccccc3)c(=O)c2cc1Br;;344.21;4.27;49781243;;;CHEMBL1258012;GENER;EPAM;25;0;"ph = 4, <a href=https://www.ebi.ac.uk/chembl/assay_report_card/CHEMBL1261031/  target=_blank>CHEMBL1261031</a>";;;;;;;;;-3.51;;;;;;;;;;;;"Cross RM, Monastyrskyi A, Mutka TS, Burrows JN, Kyle DE, Manetsch R.: Endochin optimization: structure-activity and structure-property relationship studies of 3-substituted 2-methyl-4(1H)-quinolones with antimalarial activity. J Med Chem, Volume 53 (19), 2010";ChEMBL
MM471522;MM471522;COc1cc2[nH]c(C)c(-c3ccccc3)c(=O)c2cc1Br;;344.21;4.27;49781243;;;CHEMBL1258012;GENER;EPAM;25;0;"ph = 7.4, <a href=https://www.ebi.ac.uk/chembl/assay_report_card/CHEMBL1261030/  target=_blank>CHEMBL1261030</a>";;;;;;;;;-3.48;;;;;;;;;;;;"Cross RM, Monastyrskyi A, Mutka TS, Burrows JN, Kyle DE, Manetsch R.: Endochin optimization: structure-activity and structure-property relationship studies of 3-substituted 2-methyl-4(1H)-quinolones with antimalarial activity. J Med Chem, Volume 53 (19), 2010";ChEMBL
MM471526;MM471526;COc1cc2[nH]c(C)c(C3CCCCC3)c(=O)c2cc1Cl;;305.81;4.55;49781459;;;CHEMBL1258132;GENER;EPAM;25;0;"ph = 4, <a href=https://www.ebi.ac.uk/chembl/assay_report_card/CHEMBL1261031/  target=_blank>CHEMBL1261031</a>";;;;;;;;;-2.91;;;;;;;;;;;;"Cross RM, Monastyrskyi A, Mutka TS, Burrows JN, Kyle DE, Manetsch R.: Endochin optimization: structure-activity and structure-property relationship studies of 3-substituted 2-methyl-4(1H)-quinolones with antimalarial activity. J Med Chem, Volume 53 (19), 2010";ChEMBL
MM471526;MM471526;COc1cc2[nH]c(C)c(C3CCCCC3)c(=O)c2cc1Cl;;305.81;4.55;49781459;;;CHEMBL1258132;GENER;EPAM;25;0;"ph = 7.4, <a href=https://www.ebi.ac.uk/chembl/assay_report_card/CHEMBL1261030/  target=_blank>CHEMBL1261030</a>";;;;;;;;;-3.2;;;;;;;;;;;;"Cross RM, Monastyrskyi A, Mutka TS, Burrows JN, Kyle DE, Manetsch R.: Endochin optimization: structure-activity and structure-property relationship studies of 3-substituted 2-methyl-4(1H)-quinolones with antimalarial activity. J Med Chem, Volume 53 (19), 2010";ChEMBL
MM471527;MM471527;COc1cc2[nH]c(C)c(Cc3ccccc3)c(=O)c2cc1Cl;;313.78;4.09;49781460;;;CHEMBL1258133;GENER;EPAM;25;0;"ph = 4, <a href=https://www.ebi.ac.uk/chembl/assay_report_card/CHEMBL1261031/  target=_blank>CHEMBL1261031</a>";;;;;;;;;-3.24;;;;;;;;;;;;"Cross RM, Monastyrskyi A, Mutka TS, Burrows JN, Kyle DE, Manetsch R.: Endochin optimization: structure-activity and structure-property relationship studies of 3-substituted 2-methyl-4(1H)-quinolones with antimalarial activity. J Med Chem, Volume 53 (19), 2010";ChEMBL
MM471527;MM471527;COc1cc2[nH]c(C)c(Cc3ccccc3)c(=O)c2cc1Cl;;313.78;4.09;49781460;;;CHEMBL1258133;GENER;EPAM;25;0;"ph = 7.4, <a href=https://www.ebi.ac.uk/chembl/assay_report_card/CHEMBL1261030/  target=_blank>CHEMBL1261030</a>";;;;;;;;;-3.25;;;;;;;;;;;;"Cross RM, Monastyrskyi A, Mutka TS, Burrows JN, Kyle DE, Manetsch R.: Endochin optimization: structure-activity and structure-property relationship studies of 3-substituted 2-methyl-4(1H)-quinolones with antimalarial activity. J Med Chem, Volume 53 (19), 2010";ChEMBL
MM471529;MM471529;C=C(CCCCC)c1c(C)[nH]c2cc(OC)c(Cl)cc2c1=O;;319.83;5.09;49781686;;;CHEMBL1258246;GENER;EPAM;25;0;"ph = 4, <a href=https://www.ebi.ac.uk/chembl/assay_report_card/CHEMBL1261031/  target=_blank>CHEMBL1261031</a>";;;;;;;;;-3.11;;;;;;;;;;;;"Cross RM, Monastyrskyi A, Mutka TS, Burrows JN, Kyle DE, Manetsch R.: Endochin optimization: structure-activity and structure-property relationship studies of 3-substituted 2-methyl-4(1H)-quinolones with antimalarial activity. J Med Chem, Volume 53 (19), 2010";ChEMBL
MM471529;MM471529;C=C(CCCCC)c1c(C)[nH]c2cc(OC)c(Cl)cc2c1=O;;319.83;5.09;49781686;;;CHEMBL1258246;GENER;EPAM;25;0;"ph = 7.4, <a href=https://www.ebi.ac.uk/chembl/assay_report_card/CHEMBL1261030/  target=_blank>CHEMBL1261030</a>";;;;;;;;;-3.12;;;;;;;;;;;;"Cross RM, Monastyrskyi A, Mutka TS, Burrows JN, Kyle DE, Manetsch R.: Endochin optimization: structure-activity and structure-property relationship studies of 3-substituted 2-methyl-4(1H)-quinolones with antimalarial activity. J Med Chem, Volume 53 (19), 2010";ChEMBL
MM471530;MM471530;COc1cc2[nH]c(C)c(C=CC(=O)OC(C)(C)C)c(=O)c2cc1Cl;;349.81;3.85;49781688;;;CHEMBL1258248;GENER;EPAM;25;0;"ph = 4, <a href=https://www.ebi.ac.uk/chembl/assay_report_card/CHEMBL1261031/  target=_blank>CHEMBL1261031</a>";;;;;;;;;-3.6;;;;;;;;;;;;"Cross RM, Monastyrskyi A, Mutka TS, Burrows JN, Kyle DE, Manetsch R.: Endochin optimization: structure-activity and structure-property relationship studies of 3-substituted 2-methyl-4(1H)-quinolones with antimalarial activity. J Med Chem, Volume 53 (19), 2010";ChEMBL
MM471530;MM471530;COc1cc2[nH]c(C)c(C=CC(=O)OC(C)(C)C)c(=O)c2cc1Cl;;349.81;3.85;49781688;;;CHEMBL1258248;GENER;EPAM;25;0;"ph = 7.4, <a href=https://www.ebi.ac.uk/chembl/assay_report_card/CHEMBL1261030/  target=_blank>CHEMBL1261030</a>";;;;;;;;;-3.58;;;;;;;;;;;;"Cross RM, Monastyrskyi A, Mutka TS, Burrows JN, Kyle DE, Manetsch R.: Endochin optimization: structure-activity and structure-property relationship studies of 3-substituted 2-methyl-4(1H)-quinolones with antimalarial activity. J Med Chem, Volume 53 (19), 2010";ChEMBL
MM474415;MM474415;CC(C)OC(=O)[C@H](C)NP(=O)(OC[C@H]1O[C@@H](n2ccc(=O)[nH]c2=O)[C@](C)(F)[C@@H]1O)Oc1ccccc1;TTZHDVOVKQGIBA-IAAJYNJHSA-N;529.46;1.66;;;;;GENER;EPAM;25;0;"<a href=https://www.ebi.ac.uk/chembl/assay_report_card/CHEMBL1261497/  target=_blank>CHEMBL1261497</a>";;;;;;;;;-7.34;;;;;;;;;;;;"Sofia MJ, Bao D, Chang W, Du J, Nagarathnam D, Rachakonda S, Reddy PG, Ross BS, Wang P, Zhang HR, Bansal S, Espiritu C, Keilman M, Lam AM, Steuer HM, Niu C, Otto MJ, Furman PA.: Discovery of a β-d-2'-deoxy-2'-α-fluoro-2'-β-C-methyluridine nucleotide prodrug (PSI-7977) for the treatment of hepatitis C virus. J Med Chem, Volume 53 (19), 2010";ChEMBL
MM472567;MM472567;Cc1c(-c2c(C)c(=O)c3c(C(=O)NCC(C)c4ccccc4)c(=O)c(=O)cc-3c2=O)c(O)c2cc(O)c(O)c(C(=O)NCC(C)c3ccccc3)c2c1O;BBLHWQAOYOUAEN-UHFFFAOYSA-N;728.75;5.67;136002684;;;CHEMBL1269070;GENER;EPAM;25;0;"<a href=https://www.ebi.ac.uk/chembl/assay_report_card/CHEMBL1273523/  target=_blank>CHEMBL1273523</a>";;;;;;;;;-7.88;;;;;;;;;;;;"Wei J, Kitada S, Stebbins JL, Placzek W, Zhai D, Wu B, Rega MF, Zhang Z, Cellitti J, Yang L, Dahl R, Reed JC, Pellecchia M.: Synthesis and biological evaluation of Apogossypolone derivatives as pan-active inhibitors of antiapoptotic B-cell lymphoma/leukemia-2 (Bcl-2) family proteins. J Med Chem, Volume 53 (22), 2010";ChEMBL
MM472569;MM472569;Cc1c(-c2c(C)c(=O)c3c(CCC4CCCCC4)c(=O)c(=O)cc-3c2=O)c(O)c2cc(O)c(O)c(CCC3CCCCC3)c2c1O;CNRDVELNWXCONS-UHFFFAOYSA-N;626.75;7.63;136032535;;;CHEMBL1269074;GENER;EPAM;25;0;"<a href=https://www.ebi.ac.uk/chembl/assay_report_card/CHEMBL1273523/  target=_blank>CHEMBL1273523</a>";;;;;;;;;-5.82;;;;;;;;;;;;"Wei J, Kitada S, Stebbins JL, Placzek W, Zhai D, Wu B, Rega MF, Zhang Z, Cellitti J, Yang L, Dahl R, Reed JC, Pellecchia M.: Synthesis and biological evaluation of Apogossypolone derivatives as pan-active inhibitors of antiapoptotic B-cell lymphoma/leukemia-2 (Bcl-2) family proteins. J Med Chem, Volume 53 (22), 2010";ChEMBL
MM472570;MM472570;CC1=C(C2=C(C)C(=O)c3c(cc(O)c(O)c3CCc3ccccc3)C2=O)C(=O)c2cc(O)c(O)c(CCc3ccccc3)c2C1=O;IVBKZDLBSIWCDU-UHFFFAOYSA-N;614.65;6.17;;;;;GENER;EPAM;25;0;"<a href=https://www.ebi.ac.uk/chembl/assay_report_card/CHEMBL1273523/  target=_blank>CHEMBL1273523</a>";;;;;;;;;-6.58;;;;;;;;;;;;"Wei J, Kitada S, Stebbins JL, Placzek W, Zhai D, Wu B, Rega MF, Zhang Z, Cellitti J, Yang L, Dahl R, Reed JC, Pellecchia M.: Synthesis and biological evaluation of Apogossypolone derivatives as pan-active inhibitors of antiapoptotic B-cell lymphoma/leukemia-2 (Bcl-2) family proteins. J Med Chem, Volume 53 (22), 2010";ChEMBL
MM472571;MM472571;Cc1ccc(CCc2c3c(=O)c(C)c(-c4c(C)c(O)c5c(CCc6ccc(C)cc6)c(O)c(O)cc5c4O)c(=O)c-3cc(=O)c2=O)cc1;KPHBSOQOTONLSS-UHFFFAOYSA-N;642.7;6.79;136183442;;;CHEMBL1269076;GENER;EPAM;25;0;"<a href=https://www.ebi.ac.uk/chembl/assay_report_card/CHEMBL1273523/  target=_blank>CHEMBL1273523</a>";;;;;;;;;-5.59;;;;;;;;;;;;"Wei J, Kitada S, Stebbins JL, Placzek W, Zhai D, Wu B, Rega MF, Zhang Z, Cellitti J, Yang L, Dahl R, Reed JC, Pellecchia M.: Synthesis and biological evaluation of Apogossypolone derivatives as pan-active inhibitors of antiapoptotic B-cell lymphoma/leukemia-2 (Bcl-2) family proteins. J Med Chem, Volume 53 (22), 2010";ChEMBL
MM472572;MM472572;Cc1c(-c2c(C)c(=O)c3c(CCCc4ccccc4)c(=O)c(=O)cc-3c2=O)c(O)c2cc(O)c(O)c(CCCc3ccccc3)c2c1O;UHLVJEYCYRBSHE-UHFFFAOYSA-N;642.7;6.95;136183443;;;CHEMBL1269077;GENER;EPAM;25;0;"<a href=https://www.ebi.ac.uk/chembl/assay_report_card/CHEMBL1273523/  target=_blank>CHEMBL1273523</a>";;;;;;;;;-6.65;;;;;;;;;;;;"Wei J, Kitada S, Stebbins JL, Placzek W, Zhai D, Wu B, Rega MF, Zhang Z, Cellitti J, Yang L, Dahl R, Reed JC, Pellecchia M.: Synthesis and biological evaluation of Apogossypolone derivatives as pan-active inhibitors of antiapoptotic B-cell lymphoma/leukemia-2 (Bcl-2) family proteins. J Med Chem, Volume 53 (22), 2010";ChEMBL
MM472573;MM472573;Cc1c(-c2c(C)c(=O)c3c(Cc4ccccc4)c(=O)c(=O)cc-3c2=O)c(O)c2cc(O)c(O)c(Cc3ccccc3)c2c1O;IEJPMWKHSOLTHK-UHFFFAOYSA-N;586.6;5.78;136183446;;;CHEMBL1269107;GENER;EPAM;25;0;"<a href=https://www.ebi.ac.uk/chembl/assay_report_card/CHEMBL1273523/  target=_blank>CHEMBL1273523</a>";;;;;;;;;-7.11;;;;;;;;;;;;"Wei J, Kitada S, Stebbins JL, Placzek W, Zhai D, Wu B, Rega MF, Zhang Z, Cellitti J, Yang L, Dahl R, Reed JC, Pellecchia M.: Synthesis and biological evaluation of Apogossypolone derivatives as pan-active inhibitors of antiapoptotic B-cell lymphoma/leukemia-2 (Bcl-2) family proteins. J Med Chem, Volume 53 (22), 2010";ChEMBL
MM473108;MM473108;NC(=O)c1cc(-c2ccnc(N)n2)[nH]c1-c1cccs1;CEKJXDVQNFUQAV-UHFFFAOYSA-N;285.33;1.88;;;;;GENER;EPAM;25;0;"<a href=https://www.ebi.ac.uk/chembl/assay_report_card/CHEMBL1274158/  target=_blank>CHEMBL1274158</a>";;;;;;;;;-5.2;;;;;;;;;;;;"Menichincheri M, Albanese C, Alli C, Ballinari D, Bargiotti A, Caldarelli M, Ciavolella A, Cirla A, Colombo M, Colotta F, Croci V, D'Alessio R, D'Anello M, Ermoli A, Fiorentini F, Forte B, Galvani A, Giordano P, Isacchi A, Martina K, Molinari A, Moll JK, Montagnoli A, Orsini P, Orzi F, Pesenti E, Pillan A, Roletto F, Scolaro A, Tatò M, Tibolla M, Valsasina B, Varasi M, Vianello P, Volpi D, Santocanale C, Vanotti E.: Cdc7 kinase inhibitors: 5-heteroaryl-3-carboxamido-2-aryl pyrroles as potential antitumor agents. 1. Lead finding. J Med Chem, Volume 53 (20), 2010";ChEMBL
MM473107;MM473107;NC(=O)c1cc(-c2ccnc(N)n2)[nH]c1-c1ccsc1;GIEWZQNAONSKKX-UHFFFAOYSA-N;285.33;1.88;;;;;GENER;EPAM;25;0;"<a href=https://www.ebi.ac.uk/chembl/assay_report_card/CHEMBL1274158/  target=_blank>CHEMBL1274158</a>";;;;;;;;;-4.73;;;;;;;;;;;;"Menichincheri M, Albanese C, Alli C, Ballinari D, Bargiotti A, Caldarelli M, Ciavolella A, Cirla A, Colombo M, Colotta F, Croci V, D'Alessio R, D'Anello M, Ermoli A, Fiorentini F, Forte B, Galvani A, Giordano P, Isacchi A, Martina K, Molinari A, Moll JK, Montagnoli A, Orsini P, Orzi F, Pesenti E, Pillan A, Roletto F, Scolaro A, Tatò M, Tibolla M, Valsasina B, Varasi M, Vianello P, Volpi D, Santocanale C, Vanotti E.: Cdc7 kinase inhibitors: 5-heteroaryl-3-carboxamido-2-aryl pyrroles as potential antitumor agents. 1. Lead finding. J Med Chem, Volume 53 (20), 2010";ChEMBL
MM473113;MM473113;O=C(NO)c1cnc(N2CC3CN(Cc4ccc5ccccc5c4)CC3C2)nc1;KPGKJQJLWZJYMJ-BGYRXZFFSA-N;389.46;2.32;50898619;;;CHEMBL1270139;GENER;EPAM;25;0;"<a href=https://www.ebi.ac.uk/chembl/assay_report_card/CHEMBL1273126/  target=_blank>CHEMBL1273126</a>";;;;;;;;;-6.3;;;;;;;;;;;;"Donald AD, Clark VL, Patel S, Day FA, Rowlands MG, Wibata J, Stimson L, Hardcastle A, Eccles SA, McNamara D, Needham LA, Raynaud FI, Aherne W, Moffat DF.: Design and synthesis of novel pyrimidine hydroxamic acid inhibitors of histone deacetylases. Bioorg Med Chem Lett, Volume 20 (22), 2010";ChEMBL
MM473112;MM473112;NC(=O)c1cc(-c2ccnc(N)n2)[nH]c1-c1ccccc1;VOQXQYXTZZHYBF-UHFFFAOYSA-N;279.3;1.82;;;;;GENER;EPAM;25;0;"<a href=https://www.ebi.ac.uk/chembl/assay_report_card/CHEMBL1274158/  target=_blank>CHEMBL1274158</a>";;;;;;;;;-5.22;;;;;;;;;;;;"Menichincheri M, Albanese C, Alli C, Ballinari D, Bargiotti A, Caldarelli M, Ciavolella A, Cirla A, Colombo M, Colotta F, Croci V, D'Alessio R, D'Anello M, Ermoli A, Fiorentini F, Forte B, Galvani A, Giordano P, Isacchi A, Martina K, Molinari A, Moll JK, Montagnoli A, Orsini P, Orzi F, Pesenti E, Pillan A, Roletto F, Scolaro A, Tatò M, Tibolla M, Valsasina B, Varasi M, Vianello P, Volpi D, Santocanale C, Vanotti E.: Cdc7 kinase inhibitors: 5-heteroaryl-3-carboxamido-2-aryl pyrroles as potential antitumor agents. 1. Lead finding. J Med Chem, Volume 53 (20), 2010";ChEMBL
MM473110;MM473110;NC(=O)c1c(-c2ccccc2)[nH]c(-c2ccnc(N)n2)c1I;ZFUUZACDRUZMSC-UHFFFAOYSA-N;405.2;2.42;;;;;GENER;EPAM;25;0;"<a href=https://www.ebi.ac.uk/chembl/assay_report_card/CHEMBL1274158/  target=_blank>CHEMBL1274158</a>";;;;;;;;;-5.12;;;;;;;;;;;;"Menichincheri M, Albanese C, Alli C, Ballinari D, Bargiotti A, Caldarelli M, Ciavolella A, Cirla A, Colombo M, Colotta F, Croci V, D'Alessio R, D'Anello M, Ermoli A, Fiorentini F, Forte B, Galvani A, Giordano P, Isacchi A, Martina K, Molinari A, Moll JK, Montagnoli A, Orsini P, Orzi F, Pesenti E, Pillan A, Roletto F, Scolaro A, Tatò M, Tibolla M, Valsasina B, Varasi M, Vianello P, Volpi D, Santocanale C, Vanotti E.: Cdc7 kinase inhibitors: 5-heteroaryl-3-carboxamido-2-aryl pyrroles as potential antitumor agents. 1. Lead finding. J Med Chem, Volume 53 (20), 2010";ChEMBL
MM473109;MM473109;CCn1c(-c2ccnc(N)n2)cc(C(N)=O)c1-c1ccccc1;KMOZGTUUYJFWQK-UHFFFAOYSA-N;307.36;2.31;;;;;GENER;EPAM;25;0;"<a href=https://www.ebi.ac.uk/chembl/assay_report_card/CHEMBL1274158/  target=_blank>CHEMBL1274158</a>";;;;;;;;;-4.67;;;;;;;;;;;;"Menichincheri M, Albanese C, Alli C, Ballinari D, Bargiotti A, Caldarelli M, Ciavolella A, Cirla A, Colombo M, Colotta F, Croci V, D'Alessio R, D'Anello M, Ermoli A, Fiorentini F, Forte B, Galvani A, Giordano P, Isacchi A, Martina K, Molinari A, Moll JK, Montagnoli A, Orsini P, Orzi F, Pesenti E, Pillan A, Roletto F, Scolaro A, Tatò M, Tibolla M, Valsasina B, Varasi M, Vianello P, Volpi D, Santocanale C, Vanotti E.: Cdc7 kinase inhibitors: 5-heteroaryl-3-carboxamido-2-aryl pyrroles as potential antitumor agents. 1. Lead finding. J Med Chem, Volume 53 (20), 2010";ChEMBL
MM473106;MM473106;NC(=O)c1cc(-c2ccnc(N)n2)[nH]c1-c1ccc2sccc2c1;WPDINEQTRUOZHZ-UHFFFAOYSA-N;335.39;3.03;;;;;GENER;EPAM;25;0;"<a href=https://www.ebi.ac.uk/chembl/assay_report_card/CHEMBL1274158/  target=_blank>CHEMBL1274158</a>";;;;;;;;;-5.07;;;;;;;;;;;;"Menichincheri M, Albanese C, Alli C, Ballinari D, Bargiotti A, Caldarelli M, Ciavolella A, Cirla A, Colombo M, Colotta F, Croci V, D'Alessio R, D'Anello M, Ermoli A, Fiorentini F, Forte B, Galvani A, Giordano P, Isacchi A, Martina K, Molinari A, Moll JK, Montagnoli A, Orsini P, Orzi F, Pesenti E, Pillan A, Roletto F, Scolaro A, Tatò M, Tibolla M, Valsasina B, Varasi M, Vianello P, Volpi D, Santocanale C, Vanotti E.: Cdc7 kinase inhibitors: 5-heteroaryl-3-carboxamido-2-aryl pyrroles as potential antitumor agents. 1. Lead finding. J Med Chem, Volume 53 (20), 2010";ChEMBL
MM473111;MM473111;NC(=O)c1cc(-c2nc(N)ncc2F)[nH]c1-c1ccccc1;PEQPUGZELMBNKY-UHFFFAOYSA-N;297.29;1.96;;;;;GENER;EPAM;25;0;"<a href=https://www.ebi.ac.uk/chembl/assay_report_card/CHEMBL1274158/  target=_blank>CHEMBL1274158</a>";;;;;;;;;-5.33;;;;;;;;;;;;"Menichincheri M, Albanese C, Alli C, Ballinari D, Bargiotti A, Caldarelli M, Ciavolella A, Cirla A, Colombo M, Colotta F, Croci V, D'Alessio R, D'Anello M, Ermoli A, Fiorentini F, Forte B, Galvani A, Giordano P, Isacchi A, Martina K, Molinari A, Moll JK, Montagnoli A, Orsini P, Orzi F, Pesenti E, Pillan A, Roletto F, Scolaro A, Tatò M, Tibolla M, Valsasina B, Varasi M, Vianello P, Volpi D, Santocanale C, Vanotti E.: Cdc7 kinase inhibitors: 5-heteroaryl-3-carboxamido-2-aryl pyrroles as potential antitumor agents. 1. Lead finding. J Med Chem, Volume 53 (20), 2010";ChEMBL
MM473115;MM473115;Cn1nc(C(N)=O)c2c1-c1nc(Nc3cc(N4CCNCC4)ccc3OC(F)(F)F)ncc1CC2;TUWAYASUNDRSML-UHFFFAOYSA-N;488.47;2.13;50899254;;;CHEMBL1271644;GENER;EPAM;25;0;"<a href=https://www.ebi.ac.uk/chembl/assay_report_card/CHEMBL1272706/  target=_blank>CHEMBL1272706</a>";;;;;;;;;-5.14;;;;;;;;;;;;"Beria I, Valsasina B, Brasca MG, Ceccarelli W, Colombo M, Cribioli S, Fachin G, Ferguson RD, Fiorentini F, Gianellini LM, Giorgini ML, Moll JK, Posteri H, Pezzetta D, Roletto F, Sola F, Tesei D, Caruso M.: 4,5-Dihydro-1H-pyrazolo[4,3-h]quinazolines as potent and selective Polo-like kinase 1 (PLK1) inhibitors. Bioorg Med Chem Lett, Volume 20 (22), 2010";ChEMBL
MM473116;MM473116;CN1CCN(c2ccc(OC(F)(F)F)c(Nc3ncc4c(n3)-c3c(c(C(N)=O)nn3C)CC4)c2)CC1;;502.5;2.47;24825755;;;CHEMBL1272140;GENER;EPAM;25;0;"<a href=https://www.ebi.ac.uk/chembl/assay_report_card/CHEMBL1272706/  target=_blank>CHEMBL1272706</a>";;;;;;;;;-4.3;;;;;;;;;;;;"Beria I, Valsasina B, Brasca MG, Ceccarelli W, Colombo M, Cribioli S, Fachin G, Ferguson RD, Fiorentini F, Gianellini LM, Giorgini ML, Moll JK, Posteri H, Pezzetta D, Roletto F, Sola F, Tesei D, Caruso M.: 4,5-Dihydro-1H-pyrazolo[4,3-h]quinazolines as potent and selective Polo-like kinase 1 (PLK1) inhibitors. Bioorg Med Chem Lett, Volume 20 (22), 2010";ChEMBL
MM473116;MM473116;CN1CCN(c2ccc(OC(F)(F)F)c(Nc3ncc4c(n3)-c3c(c(C(N)=O)nn3C)CC4)c2)CC1;;502.5;2.47;24825755;;;CHEMBL1272140;GENER;EPAM;25;0;"<a href=https://www.ebi.ac.uk/chembl/assay_report_card/CHEMBL1777615/  target=_blank>CHEMBL1777615</a>";;;;;;;;;-4.3;;;;;;;;;;;;"Beria I, Bossi RT, Brasca MG, Caruso M, Ceccarelli W, Fachin G, Fasolini M, Forte B, Fiorentini F, Pesenti E, Pezzetta D, Posteri H, Scolaro A, Re Depaolini S, Valsasina B.: NMS-P937, a 4,5-dihydro-1H-pyrazolo[4,3-h]quinazoline derivative as potent and selective Polo-like kinase 1 inhibitor. Bioorg Med Chem Lett, Volume 21 (10), 2011";ChEMBL
MM472566;MM472566;Cc1c(-c2c(C)c(=O)c3c(C(C)C)c(=O)c(=O)cc-3c2=O)c(O)c2cc(O)c(O)c(C(C)C)c2c1O;GYYXKPBLWDDQQK-UHFFFAOYSA-N;490.51;4.85;135513044;;;CHEMBL1272170;GENER;EPAM;25;0;"<a href=https://www.ebi.ac.uk/chembl/assay_report_card/CHEMBL1273523/  target=_blank>CHEMBL1273523</a>";;;;;;;;;-5.94;;;;;;;;;;;;"Wei J, Kitada S, Stebbins JL, Placzek W, Zhai D, Wu B, Rega MF, Zhang Z, Cellitti J, Yang L, Dahl R, Reed JC, Pellecchia M.: Synthesis and biological evaluation of Apogossypolone derivatives as pan-active inhibitors of antiapoptotic B-cell lymphoma/leukemia-2 (Bcl-2) family proteins. J Med Chem, Volume 53 (22), 2010";ChEMBL
MM472568;MM472568;Cc1c(-c2c(C)c(=O)c3c(CC(C)C)c(=O)c(=O)cc-3c2=O)c(O)c2cc(O)c(O)c(CC(C)C)c2c1O;QMQSAWHWCPIWPF-UHFFFAOYSA-N;518.56;5;136183441;;;CHEMBL1272224;GENER;EPAM;25;0;"<a href=https://www.ebi.ac.uk/chembl/assay_report_card/CHEMBL1273523/  target=_blank>CHEMBL1273523</a>";;;;;;;;;-6.17;;;;;;;;;;;;"Wei J, Kitada S, Stebbins JL, Placzek W, Zhai D, Wu B, Rega MF, Zhang Z, Cellitti J, Yang L, Dahl R, Reed JC, Pellecchia M.: Synthesis and biological evaluation of Apogossypolone derivatives as pan-active inhibitors of antiapoptotic B-cell lymphoma/leukemia-2 (Bcl-2) family proteins. J Med Chem, Volume 53 (22), 2010";ChEMBL
MM473118;MM473118;CC1(C)C(=O)N(c2ccc(C#N)c(Cl)c2)C(=S)N1c1cccc(S(N)(=O)=O)c1;TYWODBAOGMISNZ-UHFFFAOYSA-N;434.93;2.78;11633474;;;CHEMBL1289887;GENER;EPAM;25;0;"<a href=https://www.ebi.ac.uk/chembl/assay_report_card/CHEMBL1291553/  target=_blank>CHEMBL1291553</a>";;;;;;;;;-5.8;;;;;;;;;;;;"Yoshino H, Sato H, Shiraishi T, Tachibana K, Emura T, Honma A, Ishikura N, Tsunenari T, Watanabe M, Nishimoto A, Nakamura R, Nakagawa T, Ohta M, Takata N, Furumoto K, Kimura K, Kawata H.: Design and synthesis of an androgen receptor pure antagonist (CH5137291) for the treatment of castration-resistant prostate cancer. Bioorg Med Chem, Volume 18 (23), 2010";ChEMBL
MM473119;MM473119;CC1(C)C(=O)N(c2ccc(C#N)c(C(F)(F)F)c2)C(=S)N1c1cccc(S(N)(=O)=O)c1;SEQMPXNPBNAKCA-UHFFFAOYSA-N;468.48;3.14;11655725;;;CHEMBL1289999;GENER;EPAM;25;0;"<a href=https://www.ebi.ac.uk/chembl/assay_report_card/CHEMBL1291553/  target=_blank>CHEMBL1291553</a>";;;;;;;;;-5.09;;;;;;;;;;;;"Yoshino H, Sato H, Shiraishi T, Tachibana K, Emura T, Honma A, Ishikura N, Tsunenari T, Watanabe M, Nishimoto A, Nakamura R, Nakagawa T, Ohta M, Takata N, Furumoto K, Kimura K, Kawata H.: Design and synthesis of an androgen receptor pure antagonist (CH5137291) for the treatment of castration-resistant prostate cancer. Bioorg Med Chem, Volume 18 (23), 2010";ChEMBL
MM473120;MM473120;CC1(C)C(=O)N(c2ccc(C#N)c(Cl)c2)C(=S)N1c1cccc(S(N)(=O)=O)n1;BPEAQTOVXXWKSB-UHFFFAOYSA-N;435.92;2.17;52948491;;;CHEMBL1290000;GENER;EPAM;25;0;"<a href=https://www.ebi.ac.uk/chembl/assay_report_card/CHEMBL1291553/  target=_blank>CHEMBL1291553</a>";;;;;;;;;-5.89;;;;;;;;;;;;"Yoshino H, Sato H, Shiraishi T, Tachibana K, Emura T, Honma A, Ishikura N, Tsunenari T, Watanabe M, Nishimoto A, Nakamura R, Nakagawa T, Ohta M, Takata N, Furumoto K, Kimura K, Kawata H.: Design and synthesis of an androgen receptor pure antagonist (CH5137291) for the treatment of castration-resistant prostate cancer. Bioorg Med Chem, Volume 18 (23), 2010";ChEMBL
MM473826;MM473826;CC1(C)C(=O)N(c2ccc(C#N)c(C(F)(F)F)c2)C(=S)N1c1cccc(S(N)(=O)=O)n1;JIIHFLNYGVNTFP-UHFFFAOYSA-N;469.47;2.54;44462785;;;CHEMBL1290098;GENER;EPAM;25;0;"<a href=https://www.ebi.ac.uk/chembl/assay_report_card/CHEMBL1291553/  target=_blank>CHEMBL1291553</a>";;;;;;;;;-4.85;;;;;;;;;;;;"Yoshino H, Sato H, Shiraishi T, Tachibana K, Emura T, Honma A, Ishikura N, Tsunenari T, Watanabe M, Nishimoto A, Nakamura R, Nakagawa T, Ohta M, Takata N, Furumoto K, Kimura K, Kawata H.: Design and synthesis of an androgen receptor pure antagonist (CH5137291) for the treatment of castration-resistant prostate cancer. Bioorg Med Chem, Volume 18 (23), 2010";ChEMBL
MM473827;MM473827;CC1(C)C(=O)N(c2ccc(C#N)c(C(F)(F)F)c2)C(=S)N1c1ccnc(S(N)(=O)=O)c1;FJTVLRBKLVJPNG-UHFFFAOYSA-N;469.47;2.54;52943641;;;CHEMBL1290099;GENER;EPAM;25;0;"<a href=https://www.ebi.ac.uk/chembl/assay_report_card/CHEMBL1291553/  target=_blank>CHEMBL1291553</a>";;;;;;;;;-4.92;;;;;;;;;;;;"Yoshino H, Sato H, Shiraishi T, Tachibana K, Emura T, Honma A, Ishikura N, Tsunenari T, Watanabe M, Nishimoto A, Nakamura R, Nakagawa T, Ohta M, Takata N, Furumoto K, Kimura K, Kawata H.: Design and synthesis of an androgen receptor pure antagonist (CH5137291) for the treatment of castration-resistant prostate cancer. Bioorg Med Chem, Volume 18 (23), 2010";ChEMBL
MM473828;MM473828;CC1(C)C(=O)N(c2ccc(C#N)c(Cl)c2)C(=S)N1c1cncc(S(N)(=O)=O)c1;PYMNZVPHYKGZHD-UHFFFAOYSA-N;435.92;2.17;52949762;;;CHEMBL1290206;GENER;EPAM;25;0;"<a href=https://www.ebi.ac.uk/chembl/assay_report_card/CHEMBL1291553/  target=_blank>CHEMBL1291553</a>";;;;;;;;;-4.89;;;;;;;;;;;;"Yoshino H, Sato H, Shiraishi T, Tachibana K, Emura T, Honma A, Ishikura N, Tsunenari T, Watanabe M, Nishimoto A, Nakamura R, Nakagawa T, Ohta M, Takata N, Furumoto K, Kimura K, Kawata H.: Design and synthesis of an androgen receptor pure antagonist (CH5137291) for the treatment of castration-resistant prostate cancer. Bioorg Med Chem, Volume 18 (23), 2010";ChEMBL
MM473829;MM473829;CC1(C)C(=O)N(c2ccc(C#N)c(C(F)(F)F)c2)C(=S)N1c1cncc(S(N)(=O)=O)c1;PUWNHUKCXUUPPH-UHFFFAOYSA-N;469.47;2.54;52943651;;;CHEMBL1290207;GENER;EPAM;25;0;"<a href=https://www.ebi.ac.uk/chembl/assay_report_card/CHEMBL1291553/  target=_blank>CHEMBL1291553</a>";;;;;;;;;-4.85;;;;;;;;;;;;"Yoshino H, Sato H, Shiraishi T, Tachibana K, Emura T, Honma A, Ishikura N, Tsunenari T, Watanabe M, Nishimoto A, Nakamura R, Nakagawa T, Ohta M, Takata N, Furumoto K, Kimura K, Kawata H.: Design and synthesis of an androgen receptor pure antagonist (CH5137291) for the treatment of castration-resistant prostate cancer. Bioorg Med Chem, Volume 18 (23), 2010";ChEMBL
Metoprolol;MM00275;COCCc1ccc(OCC(O)CNC(C)C)cc1;IUBSYMUCCVWXPE-UHFFFAOYSA-N;267.37;1.61;4171;DB00264;;CHEMBL13;GENER;EPAM;25;0;"<a href=https://www.ebi.ac.uk/chembl/assay_report_card/CHEMBL1769838/  target=_blank>CHEMBL1769838</a>";;;;;;;;;-5.49;;;;;;;;;;;;"Flaten GE, Kottra G, Stensen W, Isaksen G, Karstad R, Svendsen JS, Daniel H, Svenson J.: In vitro characterization of human peptide transporter hPEPT1 interactions and passive permeation studies of short cationic antimicrobial peptides. J Med Chem, Volume 54 (7), 2011";ChEMBL
Chloramphenicol;MM00342;O=C(NC(CO)C(O)c1ccc([N+](=O)[O-])cc1)C(Cl)Cl;WIIZWVCIJKGZOK-UHFFFAOYSA-N;323.13;0.91;5959;DB00446;CLM;CHEMBL130;GENER;EPAM;25;+1,-1;"ph = 10, <a href=https://www.ebi.ac.uk/chembl/assay_report_card/CHEMBL3386379/  target=_blank>CHEMBL3386379</a>";;;;;;;;;-7.24;;;;;;;;;;;;"Maccari G, Sanfilippo S, De Luca F, Deodato D, Casian A, Dasso Lang MC, Zamperini C, Dreassi E, Rossolini GM, Docquier JD, Botta M.: Synthesis of linear and cyclic guazatine derivatives endowed with antibacterial activity. Bioorg Med Chem Lett, Volume 24 (23), 2014";ChEMBL
Chloramphenicol;MM00342;O=C(NC(CO)C(O)c1ccc([N+](=O)[O-])cc1)C(Cl)Cl;WIIZWVCIJKGZOK-UHFFFAOYSA-N;323.13;0.91;5959;DB00446;CLM;CHEMBL130;GENER;EPAM;25;+1,-1;"ph = 7.4, <a href=https://www.ebi.ac.uk/chembl/assay_report_card/CHEMBL3386378/  target=_blank>CHEMBL3386378</a>";;;;;;;;;-7.52;;;;;;;;;;;;"Maccari G, Sanfilippo S, De Luca F, Deodato D, Casian A, Dasso Lang MC, Zamperini C, Dreassi E, Rossolini GM, Docquier JD, Botta M.: Synthesis of linear and cyclic guazatine derivatives endowed with antibacterial activity. Bioorg Med Chem Lett, Volume 24 (23), 2014";ChEMBL
Chloramphenicol;MM00342;O=C(NC(CO)C(O)c1ccc([N+](=O)[O-])cc1)C(Cl)Cl;WIIZWVCIJKGZOK-UHFFFAOYSA-N;323.13;0.91;5959;DB00446;CLM;CHEMBL130;GENER;EPAM;25;+1,-1;"ph = 7.4, <a href=https://www.ebi.ac.uk/chembl/assay_report_card/CHEMBL1056608/  target=_blank>CHEMBL1056608</a>";;;;;;;;;-7.04;;;;;;;;;;;;"Dreassi E, Zizzari AT, Falchi F, Schenone S, Santucci A, Maga G, Botta M.: Determination of permeability and lipophilicity of pyrazolo-pyrimidine tyrosine kinase inhibitors and correlation with biological data. Eur J Med Chem, Volume 44 (9), 2009";ChEMBL
Chloramphenicol;MM00342;O=C(NC(CO)C(O)c1ccc([N+](=O)[O-])cc1)C(Cl)Cl;WIIZWVCIJKGZOK-UHFFFAOYSA-N;323.13;0.91;5959;DB00446;CLM;CHEMBL130;GENER;EPAM;25;+1,-1;"<a href=https://www.ebi.ac.uk/chembl/assay_report_card/CHEMBL4310211/  target=_blank>CHEMBL4310211</a>";;;;;;;;;-6.52;;;;;;;;;;;;"Pasero C, D'Agostino I, De Luca F, Zamperini C, Deodato D, Truglio GI, Sannio F, Del Prete R, Ferraro T, Visaggio D, Mancini A, Guglielmi MB, Visca P, Docquier JD, Botta M.: Alkyl-guanidine Compounds as Potent Broad-Spectrum Antibacterial Agents: Chemical Library Extension and Biological Characterization. J Med Chem, Volume 61 (20), 2018";ChEMBL
MM473217;MM473217;CN(C)S(=O)(=O)c1cccc(-n2sc3ccccc3c2=O)c1;SHVMSYDTOYCGDZ-UHFFFAOYSA-N;334.42;2.3;5040456;;;CHEMBL1339149;GENER;EPAM;25;0;"<a href=https://www.ebi.ac.uk/chembl/assay_report_card/CHEMBL3375693/  target=_blank>CHEMBL3375693</a>";;;;;;;;;-3.11;;;;;;;;;;;;"Bravo Y, Teriete P, Dhanya RP, Dahl R, Lee PS, Kiffer-Moreira T, Ganji SR, Sergienko E, Smith LH, Farquharson C, Millán JL, Cosford ND.: Design, synthesis and evaluation of benzoisothiazolones as selective inhibitors of PHOSPHO1. Bioorg Med Chem Lett, Volume 24 (17), 2014";ChEMBL
MM471915;MM471915;Cc1cccc(-n2cnc3cc(C(=O)N4CCCCC4)ccc32)c1;YQNOQZALLOQMPY-UHFFFAOYSA-N;319.41;3.96;;;;;GENER;EPAM;25;0;"ph = 7.4, <a href=https://www.ebi.ac.uk/chembl/assay_report_card/CHEMBL3107149/  target=_blank>CHEMBL3107149</a>";;;;;;;;;-2.92;;;;;;;;;;;;"Duveau DY, Yasgar A, Wang Y, Hu X, Kouznetsova J, Brimacombe KR, Jadhav A, Simeonov A, Thomas CJ, Maloney DJ.: Structure-activity relationship studies and biological characterization of human NAD(+)-dependent 15-hydroxyprostaglandin dehydrogenase inhibitors. Bioorg Med Chem Lett, Volume 24 (2), 2014";ChEMBL
MM473215;MM473215;COC(=O)c1cccc(-n2sc3ccccc3c2=O)c1;;285.32;2.84;25067463;;;CHEMBL1369613;GENER;EPAM;25;0;"<a href=https://www.ebi.ac.uk/chembl/assay_report_card/CHEMBL3375691/  target=_blank>CHEMBL3375691</a>";;;;;;;;;-2.89;;;;;;;;;;;;"Bravo Y, Teriete P, Dhanya RP, Dahl R, Lee PS, Kiffer-Moreira T, Ganji SR, Sergienko E, Smith LH, Farquharson C, Millán JL, Cosford ND.: Design, synthesis and evaluation of benzoisothiazolones as selective inhibitors of PHOSPHO1. Bioorg Med Chem Lett, Volume 24 (17), 2014";ChEMBL
MM473215;MM473215;COC(=O)c1cccc(-n2sc3ccccc3c2=O)c1;;285.32;2.84;25067463;;;CHEMBL1369613;GENER;EPAM;25;0;"<a href=https://www.ebi.ac.uk/chembl/assay_report_card/CHEMBL3375693/  target=_blank>CHEMBL3375693</a>";;;;;;;;;-2.89;;;;;;;;;;;;"Bravo Y, Teriete P, Dhanya RP, Dahl R, Lee PS, Kiffer-Moreira T, Ganji SR, Sergienko E, Smith LH, Farquharson C, Millán JL, Cosford ND.: Design, synthesis and evaluation of benzoisothiazolones as selective inhibitors of PHOSPHO1. Bioorg Med Chem Lett, Volume 24 (17), 2014";ChEMBL
MM473405;MM473405;Cc1ccccc1-c1nc(CN2CCC(C(=O)NCCCN3CCOCC3)CC2)c(C)o1;BXYBGEAXGCDRSR-UHFFFAOYSA-N;440.59;3.01;3237063;;;CHEMBL1389168;GENER;EPAM;25;0;"<a href=https://www.ebi.ac.uk/chembl/assay_report_card/CHEMBL4039805/  target=_blank>CHEMBL4039805</a>";;;;;;;;;-3.36;;;;;;;;;;;;"He S, Li K, Lin B, Hu Z, Xiao J, Hu X, Wang AQ, Xu X, Ferrer M, Southall N, Zheng W, Aubé J, Schoenen FJ, Marugan JJ, Liang TJ, Frankowski KJ.: Development of an Aryloxazole Class of Hepatitis C Virus Inhibitors Targeting the Entry Stage of the Viral Replication Cycle. J Med Chem, Volume 60 (14), 2017";ChEMBL
MM471314;MM471314;O=c1c2cc(F)ccc2sn1-c1ccccc1;ZTQXZKHEMCRFEP-UHFFFAOYSA-N;245.28;3.19;22416235;;;CHEMBL1406130;GENER;EPAM;25;0;"ph = 7.4, <a href=https://www.ebi.ac.uk/chembl/assay_report_card/CHEMBL1777057/  target=_blank>CHEMBL1777057</a>";;;;;;;;;-3.2;;;;;;;;;;;;"Dahl R, Bravo Y, Sharma V, Ichikawa M, Dhanya RP, Hedrick M, Brown B, Rascon J, Vicchiarelli M, Mangravita-Novo A, Yang L, Stonich D, Su Y, Smith LH, Sergienko E, Freeze HH, Cosford ND.: Potent, selective, and orally available benzoisothiazolone phosphomannose isomerase inhibitors as probes for congenital disorder of glycosylation Ia. J Med Chem, Volume 54 (10), 2011";ChEMBL
MM471921;MM471921;Cc1cc(-c2nnc3n2CCCCC3)c(C)n1-c1ccccc1;SGHSEHOWYLRAPR-UHFFFAOYSA-N;306.41;4.08;;;;;GENER;EPAM;25;0;"ph = 7.4, <a href=https://www.ebi.ac.uk/chembl/assay_report_card/CHEMBL3107149/  target=_blank>CHEMBL3107149</a>";;;;;;;;;-3.22;;;;;;;;;;;;"Duveau DY, Yasgar A, Wang Y, Hu X, Kouznetsova J, Brimacombe KR, Jadhav A, Simeonov A, Thomas CJ, Maloney DJ.: Structure-activity relationship studies and biological characterization of human NAD(+)-dependent 15-hydroxyprostaglandin dehydrogenase inhibitors. Bioorg Med Chem Lett, Volume 24 (2), 2014";ChEMBL
MM472533;MM472533;c1ccc(-c2ccccc2)cc1;ZUOUZKKEUPVFJK-UHFFFAOYSA-N;154.21;3.35;;;;;GENER;EPAM;25;0;"<a href=https://www.ebi.ac.uk/chembl/assay_report_card/CHEMBL905612/  target=_blank>CHEMBL905612</a>";;;;;;;;;-5.95;;;;;;;;;;;;"Fujikawa M, Nakao K, Shimizu R, Akamatsu M.: QSAR study on permeability of hydrophobic compounds with artificial membranes. Bioorg Med Chem, Volume 15 (11), 3756-3767, 2007";ChEMBL
MM471805;MM471805;Cc1ccc(S(=O)(=O)n2c(N)nc3ccccc32)cc1;;287.34;2.16;;;;CHEMBL1412853;GENER;EPAM;25;0;"ph = 5, <a href=https://www.ebi.ac.uk/chembl/assay_report_card/CHEMBL2020306/  target=_blank>CHEMBL2020306</a>";;;;;;;;;-5.3;;;;;;;;;;;;"Khan PM, Correa RG, Divlianska DB, Peddibhotla S, Sessions EH, Magnuson G, Brown B, Suyama E, Yuan H, Mangravita-Novo A, Vicchiarelli M, Su Y, Vasile S, Smith LH, Diaz PW, Reed JC, Roth GP.: Identification of Inhibitors of NOD1-Induced Nuclear Factor-κB Activation. ACS Med Chem Lett, Volume 2 (10), 2011";ChEMBL
MM471805;MM471805;Cc1ccc(S(=O)(=O)n2c(N)nc3ccccc32)cc1;;287.34;2.16;;;;CHEMBL1412853;GENER;EPAM;25;0;"ph = 6.2, <a href=https://www.ebi.ac.uk/chembl/assay_report_card/CHEMBL2020307/  target=_blank>CHEMBL2020307</a>";;;;;;;;;-5.21;;;;;;;;;;;;"Khan PM, Correa RG, Divlianska DB, Peddibhotla S, Sessions EH, Magnuson G, Brown B, Suyama E, Yuan H, Mangravita-Novo A, Vicchiarelli M, Su Y, Vasile S, Smith LH, Diaz PW, Reed JC, Roth GP.: Identification of Inhibitors of NOD1-Induced Nuclear Factor-κB Activation. ACS Med Chem Lett, Volume 2 (10), 2011";ChEMBL
MM471805;MM471805;Cc1ccc(S(=O)(=O)n2c(N)nc3ccccc32)cc1;;287.34;2.16;;;;CHEMBL1412853;GENER;EPAM;25;0;"ph = 7.4, <a href=https://www.ebi.ac.uk/chembl/assay_report_card/CHEMBL2020308/  target=_blank>CHEMBL2020308</a>";;;;;;;;;-5.13;;;;;;;;;;;;"Khan PM, Correa RG, Divlianska DB, Peddibhotla S, Sessions EH, Magnuson G, Brown B, Suyama E, Yuan H, Mangravita-Novo A, Vicchiarelli M, Su Y, Vasile S, Smith LH, Diaz PW, Reed JC, Roth GP.: Identification of Inhibitors of NOD1-Induced Nuclear Factor-κB Activation. ACS Med Chem Lett, Volume 2 (10), 2011";ChEMBL
MM474434;MM474434;COc1ccccc1OCC(O)CO;HSRJKNPTNIJEKV-MRVPVSSYSA-N;198.22;0.43;6604218;;;CHEMBL1413388;GENER;EPAM;25;0;"<a href=https://www.ebi.ac.uk/chembl/assay_report_card/CHEMBL2396357/  target=_blank>CHEMBL2396357</a>";;;;;;;;;-5.2;;;;;;;;;;;;"Hadimani MB, Purohit MK, Vanampally C, Van der Ploeg R, Arballo V, Morrow D, Frizzi KE, Calcutt NA, Fernyhough P, Kotra LP.: Guaifenesin derivatives promote neurite outgrowth and protect diabetic mice from neuropathy. J Med Chem, Volume 56 (12), 2013";ChEMBL
MM473629;MM473629;Cc1nc(Nc2ncc(C(=O)Nc3c(C)cccc3Cl)s2)cc(N2CCN(CCO)CC2)n1;ZBNZXTGUTAYRHI-UHFFFAOYSA-N;488.02;3.31;;;;;GENER;EPAM;25;0;"<a href=https://www.ebi.ac.uk/chembl/assay_report_card/CHEMBL4312050/  target=_blank>CHEMBL4312050</a>";;;;;;;;;-5.83;;;;;;;;;;;;"Richardson PL, Marin VL, Koeniger SL, Baranczak A, Wilsbacher JL, Kovar PJ, Bacon-Trusk PE, Cheng M, Hopkins TA, Haman ST, Vasudevan A.: Controlling cellular distribution of drugs with permeability modifying moieties. Medchemcomm, Volume 10 (6), 2019";ChEMBL
MM471401;MM471401;CS(=O)(=O)NCCCc1ccccc1;;213.3;1.17;1744854;;;CHEMBL1431050;GENER;EPAM;25;0;"ph = 7.4, <a href=https://www.ebi.ac.uk/chembl/assay_report_card/CHEMBL3801192/  target=_blank>CHEMBL3801192</a>";;;;;;;;;-4.98;;;;;;;;;;;;"Lassalas P, Gay B, Lasfargeas C, James MJ, Tran V, Vijayendran KG, Brunden KR, Kozlowski MC, Thomas CJ, Smith AB, Huryn DM, Ballatore C.: Structure Property Relationships of Carboxylic Acid Isosteres. J Med Chem, Volume 59 (7), 2016";ChEMBL
MM471401;MM471401;CS(=O)(=O)NCCCc1ccccc1;;213.3;1.17;1744854;;;CHEMBL1431050;GENER;EPAM;25;0;"ph = 7.4, <a href=https://www.ebi.ac.uk/chembl/assay_report_card/CHEMBL3801194/  target=_blank>CHEMBL3801194</a>";;;;;;;;;-4.98;;;;;;;;;;;;"Lassalas P, Gay B, Lasfargeas C, James MJ, Tran V, Vijayendran KG, Brunden KR, Kozlowski MC, Thomas CJ, Smith AB, Huryn DM, Ballatore C.: Structure Property Relationships of Carboxylic Acid Isosteres. J Med Chem, Volume 59 (7), 2016";ChEMBL
MM472371;MM472371;C[C@H]1c2cccc(O)c2C(=O)C2=C(O)[C@]3(O)C(=O)C(C(N)=O)=C(O)[C@@H](N(C)C)[C@@H]3[C@@H](O)[C@@H]21;JBIWCJUYHHGXTC-AKNGSSGZSA-N;444.44;-0.35;;;;;GENER;EPAM;25;0;"ph = 6.5, <a href=https://www.ebi.ac.uk/chembl/assay_report_card/CHEMBL1046150/  target=_blank>CHEMBL1046150</a>";;;;;;;;;-4.7;;;;;;;;;;;;"Tam KY, Avdeef A, Tsinman O, Sun N.: The permeation of amphoteric drugs through artificial membranes--an in combo absorption model based on paracellular and transmembrane permeability. J Med Chem, Volume 53 (1), 392-401, 2010";ChEMBL
MM471512;MM471512;CCN(CC)CCCC(C)Nc1ccnc2cc(C(F)(F)F)ccc12;;353.43;5.18;224869;;;CHEMBL144539;GENER;EPAM;25;0;"ph = 5, <a href=https://www.ebi.ac.uk/chembl/assay_report_card/CHEMBL1103811/  target=_blank>CHEMBL1103811</a>";;;;;;;;;-5.7;;;;;;;;;;;;"Ray S, Madrid PB, Catz P, LeValley SE, Furniss MJ, Rausch LL, Guy RK, DeRisi JL, Iyer LV, Green CE, Mirsalis JC.: Development of a new generation of 4-aminoquinoline antimalarial compounds using predictive pharmacokinetic and toxicology models. J Med Chem, Volume 53 (9), 2010";ChEMBL
MM471512;MM471512;CCN(CC)CCCC(C)Nc1ccnc2cc(C(F)(F)F)ccc12;;353.43;5.18;224869;;;CHEMBL144539;GENER;EPAM;25;0;"ph = 6.2, <a href=https://www.ebi.ac.uk/chembl/assay_report_card/CHEMBL1103810/  target=_blank>CHEMBL1103810</a>";;;;;;;;;-3.63;;;;;;;;;;;;"Ray S, Madrid PB, Catz P, LeValley SE, Furniss MJ, Rausch LL, Guy RK, DeRisi JL, Iyer LV, Green CE, Mirsalis JC.: Development of a new generation of 4-aminoquinoline antimalarial compounds using predictive pharmacokinetic and toxicology models. J Med Chem, Volume 53 (9), 2010";ChEMBL
MM471512;MM471512;CCN(CC)CCCC(C)Nc1ccnc2cc(C(F)(F)F)ccc12;;353.43;5.18;224869;;;CHEMBL144539;GENER;EPAM;25;0;"ph = 7.4, <a href=https://www.ebi.ac.uk/chembl/assay_report_card/CHEMBL1103809/  target=_blank>CHEMBL1103809</a>";;;;;;;;;-2.57;;;;;;;;;;;;"Ray S, Madrid PB, Catz P, LeValley SE, Furniss MJ, Rausch LL, Guy RK, DeRisi JL, Iyer LV, Green CE, Mirsalis JC.: Development of a new generation of 4-aminoquinoline antimalarial compounds using predictive pharmacokinetic and toxicology models. J Med Chem, Volume 53 (9), 2010";ChEMBL
MM474389;MM474389;COc1ccc2c3c1O[C@H]1C(=O)CC[C@H]4[C@@H](C2)N(C)CC[C@]314;LLPOLZWFYMWNKH-CMKMFDCUSA-N;299.37;1.93;;;;;GENER;EPAM;25;0;"<a href=https://www.ebi.ac.uk/chembl/assay_report_card/CHEMBL4323355/  target=_blank>CHEMBL4323355</a>";;;;;;;;;-5.04;;;;;;;;;;;;"Meyer MJ, Neumann VE, Friesacher HR, Zdrazil B, Brockmöller J, Tzvetkov MV.: Opioids as Substrates and Inhibitors of the Genetically Highly Variable Organic Cation Transporter OCT1. J Med Chem, Volume 62 (21), 2019";ChEMBL
MM472396;MM472396;O=c1[nH]c2ccccc2cc1O;BERPCVULMUPOER-UHFFFAOYSA-N;161.16;1.23;818159;;;CHEMBL146227;GENER;EPAM;25;0;"ph = 6.5, <a href=https://www.ebi.ac.uk/chembl/assay_report_card/CHEMBL2343134/  target=_blank>CHEMBL2343134</a>";;;;;;;;;-4.74;;;;;;;;;;;;"Hondo T, Warizaya M, Niimi T, Namatame I, Yamaguchi T, Nakanishi K, Hamajima T, Harada K, Sakashita H, Matsumoto Y, Orita M, Takeuchi M.: 4-Hydroxypyridazin-3(2H)-one derivatives as novel D-amino acid oxidase inhibitors. J Med Chem, Volume 56 (9), 2013";ChEMBL
Warfarin;MM00095;CC(=O)CC(c1ccccc1)c1c(O)c2ccccc2oc1=O;PJVWKTKQMONHTI-UHFFFAOYSA-N;308.33;3.61;54678486;DB00682;;CHEMBL1464;GENER;EPAM;25;0;"ph = 6.5, <a href=https://www.ebi.ac.uk/chembl/assay_report_card/CHEMBL3996779/  target=_blank>CHEMBL3996779</a>";;;;;;;;;-3.8;;;;;;;;;;;;"Singh K, Okombo J, Brunschwig C, Ndubi F, Barnard L, Wilkinson C, Njogu PM, Njoroge M, Laing L, Machado M, Prudêncio M, Reader J, Botha M, Nondaba S, Birkholtz LM, Lauterbach S, Churchyard A, Coetzer TL, Burrows JN, Yeates C, Denti P, Wiesner L, Egan TJ, Wittlin S, Chibale K.: Antimalarial Pyrido[1,2-a]benzimidazoles: Lead Optimization, Parasite Life Cycle Stage Profile, Mechanistic Evaluation, Killing Kinetics, and in Vivo Oral Efficacy in a Mouse Model. J Med Chem, Volume 60 (4), 2017";ChEMBL
Warfarin;MM00095;CC(=O)CC(c1ccccc1)c1c(O)c2ccccc2oc1=O;PJVWKTKQMONHTI-UHFFFAOYSA-N;308.33;3.61;54678486;DB00682;;CHEMBL1464;GENER;EPAM;25;0;"ph = 4, <a href=https://www.ebi.ac.uk/chembl/assay_report_card/CHEMBL4027134/  target=_blank>CHEMBL4027134</a>";;;;;;;;;-3.7;;;;;;;;;;;;"Joshi MC, Okombo J, Nsumiwa S, Ndove J, Taylor D, Wiesner L, Hunter R, Chibale K, Egan TJ.: 4-Aminoquinoline Antimalarials Containing a Benzylmethylpyridylmethylamine Group Are Active against Drug Resistant Plasmodium falciparum and Exhibit Oral Activity in Mice. J Med Chem, Volume 60 (24), 2017";ChEMBL
Warfarin;MM00095;CC(=O)CC(c1ccccc1)c1c(O)c2ccccc2oc1=O;PJVWKTKQMONHTI-UHFFFAOYSA-N;308.33;3.61;54678486;DB00682;;CHEMBL1464;GENER;EPAM;25;0;"ph = 6.5, <a href=https://www.ebi.ac.uk/chembl/assay_report_card/CHEMBL4027135/  target=_blank>CHEMBL4027135</a>";;;;;;;;;-3.8;;;;;;;;;;;;"Joshi MC, Okombo J, Nsumiwa S, Ndove J, Taylor D, Wiesner L, Hunter R, Chibale K, Egan TJ.: 4-Aminoquinoline Antimalarials Containing a Benzylmethylpyridylmethylamine Group Are Active against Drug Resistant Plasmodium falciparum and Exhibit Oral Activity in Mice. J Med Chem, Volume 60 (24), 2017";ChEMBL
MM471806;MM471806;CS(=O)(=O)c1ccc(C(=O)OCC(=O)NC23CC4CC(CC(C4)C2)C3)cc1[N+](=O)[O-];BTXTVUJWNPMQBT-UHFFFAOYSA-N;436.49;2.24;;;;;GENER;EPAM;25;+1,-1;"ph = 7.4, <a href=https://www.ebi.ac.uk/chembl/assay_report_card/CHEMBL2072985/  target=_blank>CHEMBL2072985</a>";;;;;;;;;-3.78;;;;;;;;;;;;"Hwang JY, Attia RR, Zhu F, Yang L, Lemoff A, Jeffries C, Connelly MC, Guy RK.: Synthesis and evaluation of sulfonylnitrophenylthiazoles (SNPTs) as thyroid hormone receptor-coactivator interaction inhibitors. J Med Chem, Volume 55 (5), 2012";ChEMBL
MM473301;MM473301;CN1CCN(C(c2ccccc2)c2ccc(Cl)cc2)CC1;WFNAKBGANONZEQ-SFHVURJKSA-N;300.83;3.68;688437;;;CHEMBL1473875;GENER;EPAM;25;0;"<a href=https://www.ebi.ac.uk/chembl/assay_report_card/CHEMBL3774145/  target=_blank>CHEMBL3774145</a>";;;;;;;;;-2.74;;;;;;;;;;;;"He S, Xiao J, Dulcey AE, Lin B, Rolt A, Hu Z, Hu X, Wang AQ, Xu X, Southall N, Ferrer M, Zheng W, Liang TJ, Marugan JJ.: Discovery, Optimization, and Characterization of Novel Chlorcyclizine Derivatives for the Treatment of Hepatitis C Virus Infection. J Med Chem, Volume 59 (3), 2016";ChEMBL
MM472622;MM472622;CCOC(=O)C(SP(=S)(OC)OC)c1ccccc1;XAMUDJHXFNRLCY-UHFFFAOYSA-N;320.37;3.54;;;;;GENER;EPAM;25;0;"<a href=https://www.ebi.ac.uk/chembl/assay_report_card/CHEMBL3066824/  target=_blank>CHEMBL3066824</a>";;;;;;;;;-6.24;;;;;;;;;;;;"Akamatsu M.: Importance of physicochemical properties for the design of new pesticides. J Agric Food Chem, Volume 59 (7), 2011";ChEMBL
Cerivastatin;MM00639;COCc1c(C(C)C)nc(C(C)C)c(C=CC(O)CC(O)CC(=O)O)c1-c1ccc(F)cc1;SEERZIQQUAZTOL-UHFFFAOYSA-N;459.56;4.88;446156;DB00439;116;CHEMBL1477;GENER;EPAM;25;0;"ph = 6.5, <a href=https://www.ebi.ac.uk/chembl/assay_report_card/CHEMBL1046150/  target=_blank>CHEMBL1046150</a>";;;;;;;;;-4.82;;;;;;;;;;;;"Tam KY, Avdeef A, Tsinman O, Sun N.: The permeation of amphoteric drugs through artificial membranes--an in combo absorption model based on paracellular and transmembrane permeability. J Med Chem, Volume 53 (1), 392-401, 2010";ChEMBL
MM472518;MM472518;CCNc1nc(Cl)nc(NC(C)C)n1;;215.69;1.78;;;;CHEMBL15063;GENER;EPAM;25;0;"<a href=https://www.ebi.ac.uk/chembl/assay_report_card/CHEMBL905612/  target=_blank>CHEMBL905612</a>";;;;;;;;;-4.53;;;;;;;;;;;;"Fujikawa M, Nakao K, Shimizu R, Akamatsu M.: QSAR study on permeability of hydrophobic compounds with artificial membranes. Bioorg Med Chem, Volume 15 (11), 3756-3767, 2007";ChEMBL
MM472518;MM472518;CCNc1nc(Cl)nc(NC(C)C)n1;;215.69;1.78;;;;CHEMBL15063;GENER;EPAM;25;0;"<a href=https://www.ebi.ac.uk/chembl/assay_report_card/CHEMBL3066824/  target=_blank>CHEMBL3066824</a>";;;;;;;;;-4.53;;;;;;;;;;;;"Akamatsu M.: Importance of physicochemical properties for the design of new pesticides. J Agric Food Chem, Volume 59 (7), 2011";ChEMBL
MM471734;MM471734;CC1(C)CCC2=C(O1)c1ccccc1C(=O)C2=O;QZPQTZZNNJUOLS-UHFFFAOYSA-N;242.27;2.75;;;;;GENER;EPAM;25;0;"ph = 7.4, <a href=https://www.ebi.ac.uk/chembl/assay_report_card/CHEMBL4131170/  target=_blank>CHEMBL4131170</a>";;;;;;;;;-4.33;;;;;;;;;;;;"Zhang X, Bian J, Li X, Wu X, Dong Y, You Q.: 2-Substituted 3,7,8-trimethylnaphtho[1,2-b]furan-4,5-diones as specific L-shaped NQO1-mediated redox modulators for the treatment of non-small cell lung cancer. Eur J Med Chem, Volume 138, 2017";ChEMBL
MM471998;MM471998;O=C(CCc1ccccc1)NO;HYBGBWAPFWWJRE-UHFFFAOYSA-N;165.19;1.12;4118131;;;CHEMBL152162;GENER;EPAM;25;0;"ph = 7.4, <a href=https://www.ebi.ac.uk/chembl/assay_report_card/CHEMBL3801192/  target=_blank>CHEMBL3801192</a>";;;;;;;;;-5.3;;;;;;;;;;;;"Lassalas P, Gay B, Lasfargeas C, James MJ, Tran V, Vijayendran KG, Brunden KR, Kozlowski MC, Thomas CJ, Smith AB, Huryn DM, Ballatore C.: Structure Property Relationships of Carboxylic Acid Isosteres. J Med Chem, Volume 59 (7), 2016";ChEMBL
Naproxen;MM00672;COc1ccc2cc(C(C)C(=O)O)ccc2c1;CMWTZPSULFXXJA-UHFFFAOYSA-N;230.26;3.04;156391;DB00788;NPS;CHEMBL154;GENER;EPAM;25;0;"<a href=https://www.ebi.ac.uk/chembl/assay_report_card/CHEMBL3066824/  target=_blank>CHEMBL3066824</a>";;;;;;;;;-5.3;;;;;;;;;;;;"Akamatsu M.: Importance of physicochemical properties for the design of new pesticides. J Agric Food Chem, Volume 59 (7), 2011";ChEMBL
Naproxen;MM00672;COc1ccc2cc(C(C)C(=O)O)ccc2c1;CMWTZPSULFXXJA-UHFFFAOYSA-N;230.26;3.04;156391;DB00788;NPS;CHEMBL154;GENER;EPAM;25;0;"<a href=https://www.ebi.ac.uk/chembl/assay_report_card/CHEMBL3366337/  target=_blank>CHEMBL3366337</a>";;;;;;;;;-6.2;;;;;;;;;;;;"Skoda EM, Sacher JR, Kazancioglu MZ, Saha J, Wipf P.: An uncharged oxetanyl sulfoxide as a covalent modifier for improving aqueous solubility. ACS Med Chem Lett, Volume 5 (8), 2014";ChEMBL
MM474102;MM474102;CNc1oc(-c2cccc3ccccc23)nc1C#N;DYXYXTDIFMDJIR-UHFFFAOYSA-N;249.27;3.41;664510;;;CHEMBL1548353;GENER;EPAM;25;0;"<a href=https://www.ebi.ac.uk/chembl/assay_report_card/CHEMBL3269736/  target=_blank>CHEMBL3269736</a>";;;;;;;;;-3.14;;;;;;;;;;;;"Rai G, Joshi N, Jung JE, Liu Y, Schultz L, Yasgar A, Perry S, Diaz G, Zhang Q, Kenyon V, Jadhav A, Simeonov A, Lo EH, van Leyen K, Maloney DJ, Holman TR.: Potent and selective inhibitors of human reticulocyte 12/15-lipoxygenase as anti-stroke therapies. J Med Chem, Volume 57 (10), 2014";ChEMBL
MM473216;MM473216;CN(C)C(=O)c1cccc(-n2sc3ccccc3c2=O)c1;;298.37;2.75;16749996;;;CHEMBL1570441;GENER;EPAM;25;0;"<a href=https://www.ebi.ac.uk/chembl/assay_report_card/CHEMBL3375693/  target=_blank>CHEMBL3375693</a>";;;;;;;;;-4.01;;;;;;;;;;;;"Bravo Y, Teriete P, Dhanya RP, Dahl R, Lee PS, Kiffer-Moreira T, Ganji SR, Sergienko E, Smith LH, Farquharson C, Millán JL, Cosford ND.: Design, synthesis and evaluation of benzoisothiazolones as selective inhibitors of PHOSPHO1. Bioorg Med Chem Lett, Volume 24 (17), 2014";ChEMBL
MM472370;MM472370;CN(C)[C@@H]1C(O)=C(C(N)=O)C(=O)[C@@]2(O)C(O)=C3C(=O)c4c(O)ccc(Cl)c4[C@@H](O)[C@H]3C[C@@H]12;FMTDIUIBLCQGJB-SEYHBJAFSA-N;464.86;0.26;;;;;GENER;EPAM;25;0;"ph = 6.5, <a href=https://www.ebi.ac.uk/chembl/assay_report_card/CHEMBL1046150/  target=_blank>CHEMBL1046150</a>";;;;;;;;;-5.42;;;;;;;;;;;;"Tam KY, Avdeef A, Tsinman O, Sun N.: The permeation of amphoteric drugs through artificial membranes--an in combo absorption model based on paracellular and transmembrane permeability. J Med Chem, Volume 53 (1), 392-401, 2010";ChEMBL
"Cyclosporine A";MM00349;CC=CCC(C)C(O)C1C(=O)NC(CC)C(=O)N(C)CC(=O)N(C)C(CC(C)C)C(=O)NC(C(C)C)C(=O)N(C)C(CC(C)C)C(=O)NC(C)C(=O)NC(C)C(=O)N(C)C(CC(C)C)C(=O)N(C)C(CC(C)C)C(=O)N(C)C(C(C)C)C(=O)N1C;PMATZTZNYRCHOR-UHFFFAOYSA-N;1202.64;3.27;5284373;DB00091;;CHEMBL160;GENER;EPAM;25;0;"<a href=https://www.ebi.ac.uk/chembl/assay_report_card/CHEMBL1072428/  target=_blank>CHEMBL1072428</a>";;;;;;;;;-5.46;;;;;;;;;;;;"Ovadia O, Linde Y, Haskell-Luevano C, Dirain ML, Sheynis T, Jelinek R, Gilon C, Hoffman A.: The effect of backbone cyclization on PK/PD properties of bioactive peptide-peptoid hybrids: the melanocortin agonist paradigm. Bioorg Med Chem, Volume 18 (2), 2010";ChEMBL
MM471315;MM471315;Cc1ccc(C)c(-n2sc3ccc(F)cc3c2=O)c1;KVSHNLSLZGDCNM-UHFFFAOYSA-N;273.33;3.81;25181201;;;CHEMBL1601716;GENER;EPAM;25;0;"ph = 7.4, <a href=https://www.ebi.ac.uk/chembl/assay_report_card/CHEMBL1777057/  target=_blank>CHEMBL1777057</a>";;;;;;;;;-2.9;;;;;;;;;;;;"Dahl R, Bravo Y, Sharma V, Ichikawa M, Dhanya RP, Hedrick M, Brown B, Rascon J, Vicchiarelli M, Mangravita-Novo A, Yang L, Stonich D, Su Y, Smith LH, Sergienko E, Freeze HH, Cosford ND.: Potent, selective, and orally available benzoisothiazolone phosphomannose isomerase inhibitors as probes for congenital disorder of glycosylation Ia. J Med Chem, Volume 54 (10), 2011";ChEMBL
MM472621;MM472621;COP(=S)(OC)Oc1ccc(SC)c(C)c1;PNVJTZOFSHSLTO-UHFFFAOYSA-N;278.34;3.61;;;;;GENER;EPAM;25;0;"<a href=https://www.ebi.ac.uk/chembl/assay_report_card/CHEMBL3066824/  target=_blank>CHEMBL3066824</a>";;;;;;;;;-6.14;;;;;;;;;;;;"Akamatsu M.: Importance of physicochemical properties for the design of new pesticides. J Agric Food Chem, Volume 59 (7), 2011";ChEMBL
MM472507;MM472507;CC(Oc1cc(-n2cnc3cc(OC4CCN(C)CC4)ccc32)ccc1C(N)=O)c1ccccc1C(F)(F)F;FASALJZFFLCNKM-GOSISDBHSA-N;538.57;5.76;50990894;;;CHEMBL1615277;GENER;EPAM;25;0;"at ph 5 to 7.4, <a href=https://www.ebi.ac.uk/chembl/assay_report_card/CHEMBL1693352/  target=_blank>CHEMBL1693352</a>";;;;;;;;;-4.48;;;;;;;;;;;;"Solanki S, Innocenti P, Mas-Droux C, Boxall K, Barillari C, van Montfort RL, Aherne GW, Bayliss R, Hoelder S.: Benzimidazole inhibitors induce a DFG-out conformation of never in mitosis gene A-related kinase 2 (Nek2) without binding to the back pocket and reveal a nonlinear structure-activity relationship. J Med Chem, Volume 54 (6), 2011";ChEMBL
MM472069;MM472069;COC1C=COC2(C)Oc3c(C)c(O)c4c(O)c(c5c(nc6cc(C)ccn65)c4c3C2=O)NC(=O)C(C)=CC=CC(C)C(O)C(C)C(O)C(C)C(OC(C)=O)C1C;;785.89;6.16;6436173;;;CHEMBL1617;GENER;EPAM;25;0;"ph = 10, <a href=https://www.ebi.ac.uk/chembl/assay_report_card/CHEMBL3386379/  target=_blank>CHEMBL3386379</a>";;;;;;;;;-7.92;;;;;;;;;;;;"Maccari G, Sanfilippo S, De Luca F, Deodato D, Casian A, Dasso Lang MC, Zamperini C, Dreassi E, Rossolini GM, Docquier JD, Botta M.: Synthesis of linear and cyclic guazatine derivatives endowed with antibacterial activity. Bioorg Med Chem Lett, Volume 24 (23), 2014";ChEMBL
MM472069;MM472069;COC1C=COC2(C)Oc3c(C)c(O)c4c(O)c(c5c(nc6cc(C)ccn65)c4c3C2=O)NC(=O)C(C)=CC=CC(C)C(O)C(C)C(O)C(C)C(OC(C)=O)C1C;;785.89;6.16;6436173;;;CHEMBL1617;GENER;EPAM;25;0;"ph = 7.4, <a href=https://www.ebi.ac.uk/chembl/assay_report_card/CHEMBL3386378/  target=_blank>CHEMBL3386378</a>";;;;;;;;;-8.22;;;;;;;;;;;;"Maccari G, Sanfilippo S, De Luca F, Deodato D, Casian A, Dasso Lang MC, Zamperini C, Dreassi E, Rossolini GM, Docquier JD, Botta M.: Synthesis of linear and cyclic guazatine derivatives endowed with antibacterial activity. Bioorg Med Chem Lett, Volume 24 (23), 2014";ChEMBL
MM472069;MM472069;COC1C=COC2(C)Oc3c(C)c(O)c4c(O)c(c5c(nc6cc(C)ccn65)c4c3C2=O)NC(=O)C(C)=CC=CC(C)C(O)C(C)C(O)C(C)C(OC(C)=O)C1C;;785.89;6.16;6436173;;;CHEMBL1617;GENER;EPAM;25;0;"<a href=https://www.ebi.ac.uk/chembl/assay_report_card/CHEMBL4310211/  target=_blank>CHEMBL4310211</a>";;;;;;;;;-7.22;;;;;;;;;;;;"Pasero C, D'Agostino I, De Luca F, Zamperini C, Deodato D, Truglio GI, Sannio F, Del Prete R, Ferraro T, Visaggio D, Mancini A, Guglielmi MB, Visca P, Docquier JD, Botta M.: Alkyl-guanidine Compounds as Potent Broad-Spectrum Antibacterial Agents: Chemical Library Extension and Biological Characterization. J Med Chem, Volume 61 (20), 2018";ChEMBL
MM473157;MM473157;CCCc1cc(-c2nc(-c3ccc(C)cc3)cs2)ccn1;ZROSUBKIGBSZCG-UHFFFAOYSA-N;294.42;5.13;;;;;GENER;EPAM;25;0;"<a href=https://www.ebi.ac.uk/chembl/assay_report_card/CHEMBL1827449/  target=_blank>CHEMBL1827449</a>";;;;;;;;;-6.12;;;;;;;;;;;;"Kamisuki S, Shirakawa T, Kugimiya A, Abu-Elheiga L, Choo HY, Yamada K, Shimogawa H, Wakil SJ, Uesugi M.: Synthesis and evaluation of diarylthiazole derivatives that inhibit activation of sterol regulatory element-binding proteins. J Med Chem, Volume 54 (13), 2011";ChEMBL
MM474385;MM474385;COc1ccc2c(c1)C13CCCCC1C(C2)NCC3;ILNSWVUXAPSPEH-USXIJHARSA-N;257.38;3.04;5484286;;;CHEMBL1623871;GENER;EPAM;25;0;"<a href=https://www.ebi.ac.uk/chembl/assay_report_card/CHEMBL4323355/  target=_blank>CHEMBL4323355</a>";;;;;;;;;-4.76;;;;;;;;;;;;"Meyer MJ, Neumann VE, Friesacher HR, Zdrazil B, Brockmöller J, Tzvetkov MV.: Opioids as Substrates and Inhibitors of the Genetically Highly Variable Organic Cation Transporter OCT1. J Med Chem, Volume 62 (21), 2019";ChEMBL
MM471930;MM471930;c1ccc(CNc2nc(NCc3ccccc3)c3ccccc3n2)cc1;;340.43;4.85;676352;;;CHEMBL1624459;GENER;EPAM;25;0;"ph = 4, <a href=https://www.ebi.ac.uk/chembl/assay_report_card/CHEMBL3270246/  target=_blank>CHEMBL3270246</a>";;;;;;;;;-3.51;;;;;;;;;;;;"Van Horn KS, Burda WN, Fleeman R, Shaw LN, Manetsch R.: Antibacterial activity of a series of N2,N4-disubstituted quinazoline-2,4-diamines. J Med Chem, Volume 57 (7), 2014";ChEMBL
MM471930;MM471930;c1ccc(CNc2nc(NCc3ccccc3)c3ccccc3n2)cc1;;340.43;4.85;676352;;;CHEMBL1624459;GENER;EPAM;25;0;"ph = 7.4, <a href=https://www.ebi.ac.uk/chembl/assay_report_card/CHEMBL3270245/  target=_blank>CHEMBL3270245</a>";;;;;;;;;-3.42;;;;;;;;;;;;"Van Horn KS, Burda WN, Fleeman R, Shaw LN, Manetsch R.: Antibacterial activity of a series of N2,N4-disubstituted quinazoline-2,4-diamines. J Med Chem, Volume 57 (7), 2014";ChEMBL
MM473816;MM473816;C[C@H](Oc1ccc(S(C)(=O)=O)cc1C(=O)N1Cc2ccc(N3CCN(C)CC3)cc2C1)C(F)(F)F;PGCHCAHHIBWCPB-INIZCTEOSA-N;511.57;3.33;;;;;GENER;EPAM;25;0;"<a href=https://www.ebi.ac.uk/chembl/assay_report_card/CHEMBL1639761/  target=_blank>CHEMBL1639761</a>";;;;;;;;;-5.82;;;;;;;;;;;;"Pinard E, Alberati D, Bender M, Borroni E, Brom V, Burner S, Fischer H, Hainzl D, Halm R, Hauser N, Jolidon S, Lengyel J, Marty HP, Meyer T, Moreau JL, Mory R, Narquizian R, Norcross RD, Schmid P, Wermuth R, Zimmerli D.: Discovery of benzoylisoindolines as a novel class of potent, selective and orally active GlyT1 inhibitors. Bioorg Med Chem Lett, Volume 20 (23), 2010";ChEMBL
MM473815;MM473815;Cc1cccc2c1CN(C(=O)c1cc(S(C)(=O)=O)ccc1O[C@@H](C)C(F)(F)F)C2;RZTNZANVFQAZHA-ZDUSSCGKSA-N;427.44;3.88;;;;;GENER;EPAM;25;0;"<a href=https://www.ebi.ac.uk/chembl/assay_report_card/CHEMBL1639761/  target=_blank>CHEMBL1639761</a>";;;;;;;;;-5.38;;;;;;;;;;;;"Pinard E, Alberati D, Bender M, Borroni E, Brom V, Burner S, Fischer H, Hainzl D, Halm R, Hauser N, Jolidon S, Lengyel J, Marty HP, Meyer T, Moreau JL, Mory R, Narquizian R, Norcross RD, Schmid P, Wermuth R, Zimmerli D.: Discovery of benzoylisoindolines as a novel class of potent, selective and orally active GlyT1 inhibitors. Bioorg Med Chem Lett, Volume 20 (23), 2010";ChEMBL
MM473814;MM473814;COc1cccc2c1CN(C(=O)c1cc(S(C)(=O)=O)ccc1O[C@@H](C)C(F)(F)F)C2;GHFAIKMTCXYODU-LBPRGKRZSA-N;443.44;3.58;;;;;GENER;EPAM;25;0;"<a href=https://www.ebi.ac.uk/chembl/assay_report_card/CHEMBL1639761/  target=_blank>CHEMBL1639761</a>";;;;;;;;;-5.32;;;;;;;;;;;;"Pinard E, Alberati D, Bender M, Borroni E, Brom V, Burner S, Fischer H, Hainzl D, Halm R, Hauser N, Jolidon S, Lengyel J, Marty HP, Meyer T, Moreau JL, Mory R, Narquizian R, Norcross RD, Schmid P, Wermuth R, Zimmerli D.: Discovery of benzoylisoindolines as a novel class of potent, selective and orally active GlyT1 inhibitors. Bioorg Med Chem Lett, Volume 20 (23), 2010";ChEMBL
MM473813;MM473813;C[C@H](Oc1ccc(S(C)(=O)=O)cc1C(=O)N1Cc2cccc(C#N)c2C1)C(F)(F)F;KZTUEUOKPCKYBS-LBPRGKRZSA-N;438.43;3.45;;;;;GENER;EPAM;25;0;"<a href=https://www.ebi.ac.uk/chembl/assay_report_card/CHEMBL1639761/  target=_blank>CHEMBL1639761</a>";;;;;;;;;-6.1;;;;;;;;;;;;"Pinard E, Alberati D, Bender M, Borroni E, Brom V, Burner S, Fischer H, Hainzl D, Halm R, Hauser N, Jolidon S, Lengyel J, Marty HP, Meyer T, Moreau JL, Mory R, Narquizian R, Norcross RD, Schmid P, Wermuth R, Zimmerli D.: Discovery of benzoylisoindolines as a novel class of potent, selective and orally active GlyT1 inhibitors. Bioorg Med Chem Lett, Volume 20 (23), 2010";ChEMBL
MM473812;MM473812;C[C@H](Oc1ccc(S(C)(=O)=O)cc1C(=O)N1Cc2cc(C(F)(F)F)cnc2C1)C(F)(F)F;DSFRGIKAQFSVOE-JTQLQIEISA-N;482.4;3.99;;;;;GENER;EPAM;25;0;"<a href=https://www.ebi.ac.uk/chembl/assay_report_card/CHEMBL1639761/  target=_blank>CHEMBL1639761</a>";;;;;;;;;-5.3;;;;;;;;;;;;"Pinard E, Alberati D, Bender M, Borroni E, Brom V, Burner S, Fischer H, Hainzl D, Halm R, Hauser N, Jolidon S, Lengyel J, Marty HP, Meyer T, Moreau JL, Mory R, Narquizian R, Norcross RD, Schmid P, Wermuth R, Zimmerli D.: Discovery of benzoylisoindolines as a novel class of potent, selective and orally active GlyT1 inhibitors. Bioorg Med Chem Lett, Volume 20 (23), 2010";ChEMBL
MM473811;MM473811;C[C@H](Oc1ccc(S(C)(=O)=O)cc1C(=O)N1Cc2cnc(C(F)(F)F)cc2C1)C(F)(F)F;CNUSCWXBRLDDER-JTQLQIEISA-N;482.4;3.99;;;;;GENER;EPAM;25;0;"<a href=https://www.ebi.ac.uk/chembl/assay_report_card/CHEMBL1639761/  target=_blank>CHEMBL1639761</a>";;;;;;;;;-5.41;;;;;;;;;;;;"Pinard E, Alberati D, Bender M, Borroni E, Brom V, Burner S, Fischer H, Hainzl D, Halm R, Hauser N, Jolidon S, Lengyel J, Marty HP, Meyer T, Moreau JL, Mory R, Narquizian R, Norcross RD, Schmid P, Wermuth R, Zimmerli D.: Discovery of benzoylisoindolines as a novel class of potent, selective and orally active GlyT1 inhibitors. Bioorg Med Chem Lett, Volume 20 (23), 2010";ChEMBL
MM473810;MM473810;C[C@H](Oc1ccc(S(C)(=O)=O)cc1C(=O)N1Cc2ccc(C(F)(F)F)nc2C1)C(F)(F)F;AKNCSOCWJLAUDN-JTQLQIEISA-N;482.4;3.99;;;;;GENER;EPAM;25;0;"<a href=https://www.ebi.ac.uk/chembl/assay_report_card/CHEMBL1639761/  target=_blank>CHEMBL1639761</a>";;;;;;;;;-5.26;;;;;;;;;;;;"Pinard E, Alberati D, Bender M, Borroni E, Brom V, Burner S, Fischer H, Hainzl D, Halm R, Hauser N, Jolidon S, Lengyel J, Marty HP, Meyer T, Moreau JL, Mory R, Narquizian R, Norcross RD, Schmid P, Wermuth R, Zimmerli D.: Discovery of benzoylisoindolines as a novel class of potent, selective and orally active GlyT1 inhibitors. Bioorg Med Chem Lett, Volume 20 (23), 2010";ChEMBL
MM473809;MM473809;C[C@H](Oc1ccc(S(C)(=O)=O)cc1C(=O)N1Cc2ccc(-c3ccccn3)cc2C1)C(F)(F)F;GXJKYQIAVVFXIE-HNNXBMFYSA-N;490.5;4.64;;;;;GENER;EPAM;25;0;"<a href=https://www.ebi.ac.uk/chembl/assay_report_card/CHEMBL1639761/  target=_blank>CHEMBL1639761</a>";;;;;;;;;-6.1;;;;;;;;;;;;"Pinard E, Alberati D, Bender M, Borroni E, Brom V, Burner S, Fischer H, Hainzl D, Halm R, Hauser N, Jolidon S, Lengyel J, Marty HP, Meyer T, Moreau JL, Mory R, Narquizian R, Norcross RD, Schmid P, Wermuth R, Zimmerli D.: Discovery of benzoylisoindolines as a novel class of potent, selective and orally active GlyT1 inhibitors. Bioorg Med Chem Lett, Volume 20 (23), 2010";ChEMBL
MM473808;MM473808;C[C@H](Oc1ccc(S(C)(=O)=O)cc1C(=O)N1Cc2ccc(-c3ccncc3)cc2C1)C(F)(F)F;XICAQVBMJIEJFN-HNNXBMFYSA-N;490.5;4.64;;;;;GENER;EPAM;25;0;"<a href=https://www.ebi.ac.uk/chembl/assay_report_card/CHEMBL1639761/  target=_blank>CHEMBL1639761</a>";;;;;;;;;-5.38;;;;;;;;;;;;"Pinard E, Alberati D, Bender M, Borroni E, Brom V, Burner S, Fischer H, Hainzl D, Halm R, Hauser N, Jolidon S, Lengyel J, Marty HP, Meyer T, Moreau JL, Mory R, Narquizian R, Norcross RD, Schmid P, Wermuth R, Zimmerli D.: Discovery of benzoylisoindolines as a novel class of potent, selective and orally active GlyT1 inhibitors. Bioorg Med Chem Lett, Volume 20 (23), 2010";ChEMBL
MM473807;MM473807;C[C@H](Oc1ccc(S(C)(=O)=O)cc1C(=O)N1Cc2ccc(C3CCCCO3)cc2C1)C(F)(F)F;NDZBXHIFLMZLMT-ZDGMYTEDSA-N;497.54;4.82;;;;;GENER;EPAM;25;0;"<a href=https://www.ebi.ac.uk/chembl/assay_report_card/CHEMBL1639761/  target=_blank>CHEMBL1639761</a>";;;;;;;;;-6.05;;;;;;;;;;;;"Pinard E, Alberati D, Bender M, Borroni E, Brom V, Burner S, Fischer H, Hainzl D, Halm R, Hauser N, Jolidon S, Lengyel J, Marty HP, Meyer T, Moreau JL, Mory R, Narquizian R, Norcross RD, Schmid P, Wermuth R, Zimmerli D.: Discovery of benzoylisoindolines as a novel class of potent, selective and orally active GlyT1 inhibitors. Bioorg Med Chem Lett, Volume 20 (23), 2010";ChEMBL
MM473806;MM473806;C[C@H](Oc1ccc(S(C)(=O)=O)cc1C(=O)N1Cc2ccc(C3CCOCC3)cc2C1)C(F)(F)F;IHLMQHFPWQMCHB-HNNXBMFYSA-N;497.54;4.47;;;;;GENER;EPAM;25;0;"<a href=https://www.ebi.ac.uk/chembl/assay_report_card/CHEMBL1639761/  target=_blank>CHEMBL1639761</a>";;;;;;;;;-5.48;;;;;;;;;;;;"Pinard E, Alberati D, Bender M, Borroni E, Brom V, Burner S, Fischer H, Hainzl D, Halm R, Hauser N, Jolidon S, Lengyel J, Marty HP, Meyer T, Moreau JL, Mory R, Narquizian R, Norcross RD, Schmid P, Wermuth R, Zimmerli D.: Discovery of benzoylisoindolines as a novel class of potent, selective and orally active GlyT1 inhibitors. Bioorg Med Chem Lett, Volume 20 (23), 2010";ChEMBL
MM473805;MM473805;CC(C)Oc1ccc(S(C)(=O)=O)cc1C(=O)N1Cc2cc(C(F)(F)F)cnc2C1;FMDCETZXKXBSAU-UHFFFAOYSA-N;428.43;3.45;;;;;GENER;EPAM;25;0;"<a href=https://www.ebi.ac.uk/chembl/assay_report_card/CHEMBL1639761/  target=_blank>CHEMBL1639761</a>";;;;;;;;;-5.39;;;;;;;;;;;;"Pinard E, Alberati D, Bender M, Borroni E, Brom V, Burner S, Fischer H, Hainzl D, Halm R, Hauser N, Jolidon S, Lengyel J, Marty HP, Meyer T, Moreau JL, Mory R, Narquizian R, Norcross RD, Schmid P, Wermuth R, Zimmerli D.: Discovery of benzoylisoindolines as a novel class of potent, selective and orally active GlyT1 inhibitors. Bioorg Med Chem Lett, Volume 20 (23), 2010";ChEMBL
MM473804;MM473804;CC(C)Oc1ccc(S(C)(=O)=O)cc1C(=O)N1Cc2ccc(C3CCOCC3)cc2C1;SPASPLFBANPFIF-UHFFFAOYSA-N;443.57;3.93;;;;;GENER;EPAM;25;0;"<a href=https://www.ebi.ac.uk/chembl/assay_report_card/CHEMBL1639761/  target=_blank>CHEMBL1639761</a>";;;;;;;;;-5.38;;;;;;;;;;;;"Pinard E, Alberati D, Bender M, Borroni E, Brom V, Burner S, Fischer H, Hainzl D, Halm R, Hauser N, Jolidon S, Lengyel J, Marty HP, Meyer T, Moreau JL, Mory R, Narquizian R, Norcross RD, Schmid P, Wermuth R, Zimmerli D.: Discovery of benzoylisoindolines as a novel class of potent, selective and orally active GlyT1 inhibitors. Bioorg Med Chem Lett, Volume 20 (23), 2010";ChEMBL
MM473803;MM473803;CC(C)COc1ccc(S(C)(=O)=O)cc1C(=O)N1Cc2cc(C(F)(F)F)cnc2C1;KKVWTQYWUKZMBL-UHFFFAOYSA-N;442.46;3.69;;;;;GENER;EPAM;25;0;"<a href=https://www.ebi.ac.uk/chembl/assay_report_card/CHEMBL1639761/  target=_blank>CHEMBL1639761</a>";;;;;;;;;-5.26;;;;;;;;;;;;"Pinard E, Alberati D, Bender M, Borroni E, Brom V, Burner S, Fischer H, Hainzl D, Halm R, Hauser N, Jolidon S, Lengyel J, Marty HP, Meyer T, Moreau JL, Mory R, Narquizian R, Norcross RD, Schmid P, Wermuth R, Zimmerli D.: Discovery of benzoylisoindolines as a novel class of potent, selective and orally active GlyT1 inhibitors. Bioorg Med Chem Lett, Volume 20 (23), 2010";ChEMBL
MM473801;MM473801;CS(=O)(=O)c1ccc(OCCC(F)(F)F)c(C(=O)N2Cc3ccc(C4CCOCC4)cc3C2)c1;OKLLQEQVBOXGNV-UHFFFAOYSA-N;497.54;4.47;;;;;GENER;EPAM;25;0;"<a href=https://www.ebi.ac.uk/chembl/assay_report_card/CHEMBL1639761/  target=_blank>CHEMBL1639761</a>";;;;;;;;;-5.39;;;;;;;;;;;;"Pinard E, Alberati D, Bender M, Borroni E, Brom V, Burner S, Fischer H, Hainzl D, Halm R, Hauser N, Jolidon S, Lengyel J, Marty HP, Meyer T, Moreau JL, Mory R, Narquizian R, Norcross RD, Schmid P, Wermuth R, Zimmerli D.: Discovery of benzoylisoindolines as a novel class of potent, selective and orally active GlyT1 inhibitors. Bioorg Med Chem Lett, Volume 20 (23), 2010";ChEMBL
MM473800;MM473800;CS(=O)(=O)c1ccc(OCc2ccccc2)c(C(=O)N2Cc3cc(C(F)(F)F)cnc3C2)c1;PKYPYFWOAAMLCH-UHFFFAOYSA-N;476.48;4.24;;;;;GENER;EPAM;25;0;"<a href=https://www.ebi.ac.uk/chembl/assay_report_card/CHEMBL1639761/  target=_blank>CHEMBL1639761</a>";;;;;;;;;-6.1;;;;;;;;;;;;"Pinard E, Alberati D, Bender M, Borroni E, Brom V, Burner S, Fischer H, Hainzl D, Halm R, Hauser N, Jolidon S, Lengyel J, Marty HP, Meyer T, Moreau JL, Mory R, Narquizian R, Norcross RD, Schmid P, Wermuth R, Zimmerli D.: Discovery of benzoylisoindolines as a novel class of potent, selective and orally active GlyT1 inhibitors. Bioorg Med Chem Lett, Volume 20 (23), 2010";ChEMBL
MM473802;MM473802;CS(=O)(=O)c1ccc(OCCC(F)(F)F)c(C(=O)N2Cc3cc(C(F)(F)F)cnc3C2)c1;CBFIHQCACGMSHE-UHFFFAOYSA-N;482.4;3.99;;;;;GENER;EPAM;25;0;"<a href=https://www.ebi.ac.uk/chembl/assay_report_card/CHEMBL1639761/  target=_blank>CHEMBL1639761</a>";;;;;;;;;-5.37;;;;;;;;;;;;"Pinard E, Alberati D, Bender M, Borroni E, Brom V, Burner S, Fischer H, Hainzl D, Halm R, Hauser N, Jolidon S, Lengyel J, Marty HP, Meyer T, Moreau JL, Mory R, Narquizian R, Norcross RD, Schmid P, Wermuth R, Zimmerli D.: Discovery of benzoylisoindolines as a novel class of potent, selective and orally active GlyT1 inhibitors. Bioorg Med Chem Lett, Volume 20 (23), 2010";ChEMBL
MM473799;MM473799;CS(=O)(=O)c1ccc(-c2ccc(F)cc2)c(C(=O)N2Cc3ccc(C4CCOCC4)cc3C2)c1;QMVMTEKLTFRTEL-UHFFFAOYSA-N;479.57;4.95;;;;;GENER;EPAM;25;0;"<a href=https://www.ebi.ac.uk/chembl/assay_report_card/CHEMBL1639761/  target=_blank>CHEMBL1639761</a>";;;;;;;;;-5.85;;;;;;;;;;;;"Pinard E, Alberati D, Bender M, Borroni E, Brom V, Burner S, Fischer H, Hainzl D, Halm R, Hauser N, Jolidon S, Lengyel J, Marty HP, Meyer T, Moreau JL, Mory R, Narquizian R, Norcross RD, Schmid P, Wermuth R, Zimmerli D.: Discovery of benzoylisoindolines as a novel class of potent, selective and orally active GlyT1 inhibitors. Bioorg Med Chem Lett, Volume 20 (23), 2010";ChEMBL
MM473798;MM473798;CS(=O)(=O)c1ccc(-c2ccc(F)c(F)c2)c(C(=O)N2Cc3cc(C(F)(F)F)cnc3C2)c1;HXKDSNZJKHAINQ-UHFFFAOYSA-N;482.43;4.61;;;;;GENER;EPAM;25;0;"<a href=https://www.ebi.ac.uk/chembl/assay_report_card/CHEMBL1639761/  target=_blank>CHEMBL1639761</a>";;;;;;;;;-5.19;;;;;;;;;;;;"Pinard E, Alberati D, Bender M, Borroni E, Brom V, Burner S, Fischer H, Hainzl D, Halm R, Hauser N, Jolidon S, Lengyel J, Marty HP, Meyer T, Moreau JL, Mory R, Narquizian R, Norcross RD, Schmid P, Wermuth R, Zimmerli D.: Discovery of benzoylisoindolines as a novel class of potent, selective and orally active GlyT1 inhibitors. Bioorg Med Chem Lett, Volume 20 (23), 2010";ChEMBL
MM473797;MM473797;CS(=O)(=O)c1ccc(N2CCOCC2)c(C(=O)N2Cc3cc(C(F)(F)F)cnc3C2)c1;NVYIUOYOCQKBAB-UHFFFAOYSA-N;455.46;2.5;;;;;GENER;EPAM;25;0;"<a href=https://www.ebi.ac.uk/chembl/assay_report_card/CHEMBL1639761/  target=_blank>CHEMBL1639761</a>";;;;;;;;;-6.05;;;;;;;;;;;;"Pinard E, Alberati D, Bender M, Borroni E, Brom V, Burner S, Fischer H, Hainzl D, Halm R, Hauser N, Jolidon S, Lengyel J, Marty HP, Meyer T, Moreau JL, Mory R, Narquizian R, Norcross RD, Schmid P, Wermuth R, Zimmerli D.: Discovery of benzoylisoindolines as a novel class of potent, selective and orally active GlyT1 inhibitors. Bioorg Med Chem Lett, Volume 20 (23), 2010";ChEMBL
MM473843;MM473843;CN(C)CCNC(=O)c1cc(C(C)(C)C)sc1NC(=O)Nc1ccc2[nH]ncc2c1;QUNYYWCMQDEBCS-UHFFFAOYSA-N;428.56;3.86;51003535;;;CHEMBL1641790;GENER;EPAM;25;0;"<a href=https://www.ebi.ac.uk/chembl/assay_report_card/CHEMBL1646057/  target=_blank>CHEMBL1646057</a>";;;;;;;;;-5.7;;;;;;;;;;;;"Ye P, Kuhn C, Juan M, Sharma R, Connolly B, Alton G, Liu H, Stanton R, Kablaoui NM.: Potent and selective thiophene urea-templated inhibitors of S6K. Bioorg Med Chem Lett, Volume 21 (2), 2011";ChEMBL
MM473842;MM473842;CC(C)(C)c1ccc(NC(=O)Nc2ccc3[nH]ncc3c2)s1;VCMFTYZQQOPGHM-UHFFFAOYSA-N;314.41;4.57;53319167;;;CHEMBL1641798;GENER;EPAM;25;0;"<a href=https://www.ebi.ac.uk/chembl/assay_report_card/CHEMBL1646057/  target=_blank>CHEMBL1646057</a>";;;;;;;;;-5.52;;;;;;;;;;;;"Ye P, Kuhn C, Juan M, Sharma R, Connolly B, Alton G, Liu H, Stanton R, Kablaoui NM.: Potent and selective thiophene urea-templated inhibitors of S6K. Bioorg Med Chem Lett, Volume 21 (2), 2011";ChEMBL
MM473841;MM473841;CC(C)(C)c1cc(C(=O)O)c(NC(=O)Nc2ccc3[nH]ncc3c2)s1;BSRFCMMJUFQEOX-UHFFFAOYSA-N;358.42;4.26;53317853;;;CHEMBL1641799;GENER;EPAM;25;0;"<a href=https://www.ebi.ac.uk/chembl/assay_report_card/CHEMBL1646057/  target=_blank>CHEMBL1646057</a>";;;;;;;;;-4.77;;;;;;;;;;;;"Ye P, Kuhn C, Juan M, Sharma R, Connolly B, Alton G, Liu H, Stanton R, Kablaoui NM.: Potent and selective thiophene urea-templated inhibitors of S6K. Bioorg Med Chem Lett, Volume 21 (2), 2011";ChEMBL
MM473840;MM473840;CC(C)(C)c1cc(C(=O)NC2CC2)c(NC(=O)Nc2ccc3[nH]ncc3c2)s1;CKEFKLKYCNGDMN-UHFFFAOYSA-N;397.5;4.46;51003548;;;CHEMBL1641800;GENER;EPAM;25;0;"<a href=https://www.ebi.ac.uk/chembl/assay_report_card/CHEMBL1646057/  target=_blank>CHEMBL1646057</a>";;;;;;;;;-5.4;;;;;;;;;;;;"Ye P, Kuhn C, Juan M, Sharma R, Connolly B, Alton G, Liu H, Stanton R, Kablaoui NM.: Potent and selective thiophene urea-templated inhibitors of S6K. Bioorg Med Chem Lett, Volume 21 (2), 2011";ChEMBL
MM473839;MM473839;COCCNC(=O)c1cc(C(C)(C)C)sc1NC(=O)Nc1ccc2[nH]ncc2c1;MYXPVTHRAONUPM-UHFFFAOYSA-N;415.52;3.94;51003547;;;CHEMBL1641801;GENER;EPAM;25;0;"<a href=https://www.ebi.ac.uk/chembl/assay_report_card/CHEMBL1646057/  target=_blank>CHEMBL1646057</a>";;;;;;;;;-5.4;;;;;;;;;;;;"Ye P, Kuhn C, Juan M, Sharma R, Connolly B, Alton G, Liu H, Stanton R, Kablaoui NM.: Potent and selective thiophene urea-templated inhibitors of S6K. Bioorg Med Chem Lett, Volume 21 (2), 2011";ChEMBL
MM473838;MM473838;CC(C)(C)c1cc(C(=O)NCCO)c(NC(=O)Nc2ccc3[nH]ncc3c2)s1;HABLDKGVGUOHTL-UHFFFAOYSA-N;401.49;3.29;53319168;;;CHEMBL1641802;GENER;EPAM;25;0;"<a href=https://www.ebi.ac.uk/chembl/assay_report_card/CHEMBL1646057/  target=_blank>CHEMBL1646057</a>";;;;;;;;;-5.3;;;;;;;;;;;;"Ye P, Kuhn C, Juan M, Sharma R, Connolly B, Alton G, Liu H, Stanton R, Kablaoui NM.: Potent and selective thiophene urea-templated inhibitors of S6K. Bioorg Med Chem Lett, Volume 21 (2), 2011";ChEMBL
MM471408;MM471408;O=C1NC(=O)C(Cc2ccccc2)O1;;191.19;0.86;9942360;;;CHEMBL164450;GENER;EPAM;25;0;"ph = 7.4, <a href=https://www.ebi.ac.uk/chembl/assay_report_card/CHEMBL3801192/  target=_blank>CHEMBL3801192</a>";;;;;;;;;-5.61;;;;;;;;;;;;"Lassalas P, Gay B, Lasfargeas C, James MJ, Tran V, Vijayendran KG, Brunden KR, Kozlowski MC, Thomas CJ, Smith AB, Huryn DM, Ballatore C.: Structure Property Relationships of Carboxylic Acid Isosteres. J Med Chem, Volume 59 (7), 2016";ChEMBL
MM471408;MM471408;O=C1NC(=O)C(Cc2ccccc2)O1;;191.19;0.86;9942360;;;CHEMBL164450;GENER;EPAM;25;0;"ph = 7.4, <a href=https://www.ebi.ac.uk/chembl/assay_report_card/CHEMBL3801194/  target=_blank>CHEMBL3801194</a>";;;;;;;;;-5.61;;;;;;;;;;;;"Lassalas P, Gay B, Lasfargeas C, James MJ, Tran V, Vijayendran KG, Brunden KR, Kozlowski MC, Thomas CJ, Smith AB, Huryn DM, Ballatore C.: Structure Property Relationships of Carboxylic Acid Isosteres. J Med Chem, Volume 59 (7), 2016";ChEMBL
MM474141;MM474141;O=C(CCCc1ccccc1)OC(CCCN1CCC(O)(c2ccc(Cl)cc2)CC1)c1ccc(F)cc1;BYFXZIUNDKEGTH-UHFFFAOYSA-N;524.08;6.85;;;;;GENER;EPAM;25;0;"<a href=https://www.ebi.ac.uk/chembl/assay_report_card/CHEMBL3396031/  target=_blank>CHEMBL3396031</a>";;;;;;;;;-5.28;;;;;;;;;;;;"Sozio P, Fiorito J, Di Giacomo V, Di Stefano A, Marinelli L, Cacciatore I, Cataldi A, Pacella S, Turkez H, Parenti C, Rescifina A, Marrazzo A.: Haloperidol metabolite II prodrug: asymmetric synthesis and biological evaluation on rat C6 glioma cells. Eur J Med Chem, Volume 90, 2015";ChEMBL
MM472379;MM472379;CNc1nnc(-c2ccc(-c3ccccc3)cc2)n1-c1ccccc1F;;344.39;4.78;50994605;;;CHEMBL1649969;GENER;EPAM;25;0;"ph = 5, <a href=https://www.ebi.ac.uk/chembl/assay_report_card/CHEMBL1657785/  target=_blank>CHEMBL1657785</a>";;;;;;;;;-4.36;;;;;;;;;;;;"Sugane T, Tobe T, Hamaguchi W, Shimada I, Maeno K, Miyata J, Suzuki T, Kimizuka T, Kohara A, Morita T, Doihara H, Saita K, Aota M, Furutani M, Shimada Y, Hamada N, Sakamoto S, Tsukamoto S.: Synthesis and biological evaluation of 3-biphenyl-4-yl-4-phenyl-4H-1,2,4-triazoles as novel glycine transporter 1 inhibitors. J Med Chem, Volume 54 (1), 2011";ChEMBL
MM472379;MM472379;CNc1nnc(-c2ccc(-c3ccccc3)cc2)n1-c1ccccc1F;;344.39;4.78;50994605;;;CHEMBL1649969;GENER;EPAM;25;0;"ph = 6.5, <a href=https://www.ebi.ac.uk/chembl/assay_report_card/CHEMBL1657786/  target=_blank>CHEMBL1657786</a>";;;;;;;;;-4.38;;;;;;;;;;;;"Sugane T, Tobe T, Hamaguchi W, Shimada I, Maeno K, Miyata J, Suzuki T, Kimizuka T, Kohara A, Morita T, Doihara H, Saita K, Aota M, Furutani M, Shimada Y, Hamada N, Sakamoto S, Tsukamoto S.: Synthesis and biological evaluation of 3-biphenyl-4-yl-4-phenyl-4H-1,2,4-triazoles as novel glycine transporter 1 inhibitors. J Med Chem, Volume 54 (1), 2011";ChEMBL
MM472380;MM472380;COc1nnc(-c2ccc(-c3ccccc3)cc2)n1-c1ccccc1F;;345.38;4.75;50994689;;;CHEMBL1649970;GENER;EPAM;25;0;"ph = 5, <a href=https://www.ebi.ac.uk/chembl/assay_report_card/CHEMBL1657785/  target=_blank>CHEMBL1657785</a>";;;;;;;;;-4.41;;;;;;;;;;;;"Sugane T, Tobe T, Hamaguchi W, Shimada I, Maeno K, Miyata J, Suzuki T, Kimizuka T, Kohara A, Morita T, Doihara H, Saita K, Aota M, Furutani M, Shimada Y, Hamada N, Sakamoto S, Tsukamoto S.: Synthesis and biological evaluation of 3-biphenyl-4-yl-4-phenyl-4H-1,2,4-triazoles as novel glycine transporter 1 inhibitors. J Med Chem, Volume 54 (1), 2011";ChEMBL
MM472380;MM472380;COc1nnc(-c2ccc(-c3ccccc3)cc2)n1-c1ccccc1F;;345.38;4.75;50994689;;;CHEMBL1649970;GENER;EPAM;25;0;"ph = 6.5, <a href=https://www.ebi.ac.uk/chembl/assay_report_card/CHEMBL1657786/  target=_blank>CHEMBL1657786</a>";;;;;;;;;-4.37;;;;;;;;;;;;"Sugane T, Tobe T, Hamaguchi W, Shimada I, Maeno K, Miyata J, Suzuki T, Kimizuka T, Kohara A, Morita T, Doihara H, Saita K, Aota M, Furutani M, Shimada Y, Hamada N, Sakamoto S, Tsukamoto S.: Synthesis and biological evaluation of 3-biphenyl-4-yl-4-phenyl-4H-1,2,4-triazoles as novel glycine transporter 1 inhibitors. J Med Chem, Volume 54 (1), 2011";ChEMBL
MM472381;MM472381;CCc1nnc(-c2ccc(-c3ccccc3)cc2)n1-c1ccccc1F;;343.41;5.3;50993656;;;CHEMBL1649974;GENER;EPAM;25;0;"ph = 5, <a href=https://www.ebi.ac.uk/chembl/assay_report_card/CHEMBL1657785/  target=_blank>CHEMBL1657785</a>";;;;;;;;;-4.43;;;;;;;;;;;;"Sugane T, Tobe T, Hamaguchi W, Shimada I, Maeno K, Miyata J, Suzuki T, Kimizuka T, Kohara A, Morita T, Doihara H, Saita K, Aota M, Furutani M, Shimada Y, Hamada N, Sakamoto S, Tsukamoto S.: Synthesis and biological evaluation of 3-biphenyl-4-yl-4-phenyl-4H-1,2,4-triazoles as novel glycine transporter 1 inhibitors. J Med Chem, Volume 54 (1), 2011";ChEMBL
MM472381;MM472381;CCc1nnc(-c2ccc(-c3ccccc3)cc2)n1-c1ccccc1F;;343.41;5.3;50993656;;;CHEMBL1649974;GENER;EPAM;25;0;"ph = 6.5, <a href=https://www.ebi.ac.uk/chembl/assay_report_card/CHEMBL1657786/  target=_blank>CHEMBL1657786</a>";;;;;;;;;-4.46;;;;;;;;;;;;"Sugane T, Tobe T, Hamaguchi W, Shimada I, Maeno K, Miyata J, Suzuki T, Kimizuka T, Kohara A, Morita T, Doihara H, Saita K, Aota M, Furutani M, Shimada Y, Hamada N, Sakamoto S, Tsukamoto S.: Synthesis and biological evaluation of 3-biphenyl-4-yl-4-phenyl-4H-1,2,4-triazoles as novel glycine transporter 1 inhibitors. J Med Chem, Volume 54 (1), 2011";ChEMBL
MM472382;MM472382;CC(C)c1nnc(-c2ccc(-c3ccccc3)cc2)n1-c1ccccc1F;;357.43;5.86;22019234;;;CHEMBL1649975;GENER;EPAM;25;0;"ph = 5, <a href=https://www.ebi.ac.uk/chembl/assay_report_card/CHEMBL1657785/  target=_blank>CHEMBL1657785</a>";;;;;;;;;-4.36;;;;;;;;;;;;"Sugane T, Tobe T, Hamaguchi W, Shimada I, Maeno K, Miyata J, Suzuki T, Kimizuka T, Kohara A, Morita T, Doihara H, Saita K, Aota M, Furutani M, Shimada Y, Hamada N, Sakamoto S, Tsukamoto S.: Synthesis and biological evaluation of 3-biphenyl-4-yl-4-phenyl-4H-1,2,4-triazoles as novel glycine transporter 1 inhibitors. J Med Chem, Volume 54 (1), 2011";ChEMBL
MM472382;MM472382;CC(C)c1nnc(-c2ccc(-c3ccccc3)cc2)n1-c1ccccc1F;;357.43;5.86;22019234;;;CHEMBL1649975;GENER;EPAM;25;0;"ph = 6.5, <a href=https://www.ebi.ac.uk/chembl/assay_report_card/CHEMBL1657786/  target=_blank>CHEMBL1657786</a>";;;;;;;;;-4.28;;;;;;;;;;;;"Sugane T, Tobe T, Hamaguchi W, Shimada I, Maeno K, Miyata J, Suzuki T, Kimizuka T, Kohara A, Morita T, Doihara H, Saita K, Aota M, Furutani M, Shimada Y, Hamada N, Sakamoto S, Tsukamoto S.: Synthesis and biological evaluation of 3-biphenyl-4-yl-4-phenyl-4H-1,2,4-triazoles as novel glycine transporter 1 inhibitors. J Med Chem, Volume 54 (1), 2011";ChEMBL
MM472575;MM472575;CC(C)(O)C(=O)N1CCN(c2ccc(C(F)(F)F)c(C3=C(c4c[nH]c5ccccc45)C(=O)NC3=O)c2)CC1;CLGRAWDGLMENOD-UHFFFAOYSA-N;526.52;3.17;50925411;;;CHEMBL1650951;GENER;EPAM;25;0;"<a href=https://www.ebi.ac.uk/chembl/assay_report_card/CHEMBL1657319/  target=_blank>CHEMBL1657319</a>";;;;;;;;;-5.5;;;;;;;;;;;;"Thoma G, Nuninger F, Falchetto R, Hermes E, Tavares GA, Vangrevelinghe E, Zerwes HG.: Identification of a potent Janus kinase 3 inhibitor with high selectivity within the Janus kinase family. J Med Chem, Volume 54 (1), 2011";ChEMBL
MM472589;MM472589;O=C(O)c1cc(-c2cccc(COc3ccc4c(c3)CN(C3CCCC3)C4=O)c2)ccc1Cl;DWTYHCYVKJONSP-UHFFFAOYSA-N;461.95;6.18;46182745;;;CHEMBL1651208;GENER;EPAM;25;0;"<a href=https://www.ebi.ac.uk/chembl/assay_report_card/CHEMBL1655207/  target=_blank>CHEMBL1655207</a>";;;;;;;;;-5.5;;;;;;;;;;;;"Dhanya RP, Sidique S, Sheffler DJ, Nickols HH, Herath A, Yang L, Dahl R, Ardecky R, Semenova S, Markou A, Conn PJ, Cosford ND.: Design and synthesis of an orally active metabotropic glutamate receptor subtype-2 (mGluR2) positive allosteric modulator (PAM) that decreases cocaine self-administration in rats. J Med Chem, Volume 54 (1), 2011";ChEMBL
MM472588;MM472588;CC(C)N1Cc2cc(OCc3cccc(-c4ccc(Cl)c(C(=O)O)c4)c3)ccc2C1=O;IPHOWNGWSDCVGP-UHFFFAOYSA-N;435.91;5.65;50993963;;;CHEMBL1651209;GENER;EPAM;25;0;"<a href=https://www.ebi.ac.uk/chembl/assay_report_card/CHEMBL1655207/  target=_blank>CHEMBL1655207</a>";;;;;;;;;-6.1;;;;;;;;;;;;"Dhanya RP, Sidique S, Sheffler DJ, Nickols HH, Herath A, Yang L, Dahl R, Ardecky R, Semenova S, Markou A, Conn PJ, Cosford ND.: Design and synthesis of an orally active metabotropic glutamate receptor subtype-2 (mGluR2) positive allosteric modulator (PAM) that decreases cocaine self-administration in rats. J Med Chem, Volume 54 (1), 2011";ChEMBL
MM472587;MM472587;O=C(O)c1cc(-c2cccc(COc3ccc4c(c3)CN(CC3CC3)C4=O)c2)ccc1Cl;KVJSUTHOTPIBKD-UHFFFAOYSA-N;447.92;5.65;;;;;GENER;EPAM;25;0;"<a href=https://www.ebi.ac.uk/chembl/assay_report_card/CHEMBL1655207/  target=_blank>CHEMBL1655207</a>";;;;;;;;;-6.5;;;;;;;;;;;;"Dhanya RP, Sidique S, Sheffler DJ, Nickols HH, Herath A, Yang L, Dahl R, Ardecky R, Semenova S, Markou A, Conn PJ, Cosford ND.: Design and synthesis of an orally active metabotropic glutamate receptor subtype-2 (mGluR2) positive allosteric modulator (PAM) that decreases cocaine self-administration in rats. J Med Chem, Volume 54 (1), 2011";ChEMBL
MM472586;MM472586;O=C(O)c1cc(-c2cccc(COc3ccc4c(c3)CN(C3CCC3)C4=O)c2)ccc1Cl;JLNCSHRPBPSZBX-UHFFFAOYSA-N;447.92;5.79;50993965;;;CHEMBL1651211;GENER;EPAM;25;0;"<a href=https://www.ebi.ac.uk/chembl/assay_report_card/CHEMBL1655207/  target=_blank>CHEMBL1655207</a>";;;;;;;;;-5.6;;;;;;;;;;;;"Dhanya RP, Sidique S, Sheffler DJ, Nickols HH, Herath A, Yang L, Dahl R, Ardecky R, Semenova S, Markou A, Conn PJ, Cosford ND.: Design and synthesis of an orally active metabotropic glutamate receptor subtype-2 (mGluR2) positive allosteric modulator (PAM) that decreases cocaine self-administration in rats. J Med Chem, Volume 54 (1), 2011";ChEMBL
MM472585;MM472585;CC(C)CN1Cc2cc(OCc3cccc(-c4ccc(Cl)c(C(=O)O)c4)c3)ccc2C1=O;YZJZFZOHJRZNPA-UHFFFAOYSA-N;449.93;5.9;50993966;;;CHEMBL1651212;GENER;EPAM;25;0;"<a href=https://www.ebi.ac.uk/chembl/assay_report_card/CHEMBL1655207/  target=_blank>CHEMBL1655207</a>";;;;;;;;;-6.3;;;;;;;;;;;;"Dhanya RP, Sidique S, Sheffler DJ, Nickols HH, Herath A, Yang L, Dahl R, Ardecky R, Semenova S, Markou A, Conn PJ, Cosford ND.: Design and synthesis of an orally active metabotropic glutamate receptor subtype-2 (mGluR2) positive allosteric modulator (PAM) that decreases cocaine self-administration in rats. J Med Chem, Volume 54 (1), 2011";ChEMBL
MM472584;MM472584;O=C(O)c1cc(-c2cccc(COc3ccc4c(c3)CN(C3CC3)C4=O)c2)ccc1Cl;GOWMLURUVOXADH-UHFFFAOYSA-N;433.89;5.4;50993967;;;CHEMBL1651213;GENER;EPAM;25;0;"<a href=https://www.ebi.ac.uk/chembl/assay_report_card/CHEMBL1655207/  target=_blank>CHEMBL1655207</a>";;;;;;;;;-5.6;;;;;;;;;;;;"Dhanya RP, Sidique S, Sheffler DJ, Nickols HH, Herath A, Yang L, Dahl R, Ardecky R, Semenova S, Markou A, Conn PJ, Cosford ND.: Design and synthesis of an orally active metabotropic glutamate receptor subtype-2 (mGluR2) positive allosteric modulator (PAM) that decreases cocaine self-administration in rats. J Med Chem, Volume 54 (1), 2011";ChEMBL
MM472583;MM472583;O=C(O)c1cc(-c2cccc(COc3ccc4c(c3)CN(c3ccccc3)C4=O)c2)ccc1Cl;WSJJJSYOUXIKQC-UHFFFAOYSA-N;469.92;6.44;;;;;GENER;EPAM;25;0;"<a href=https://www.ebi.ac.uk/chembl/assay_report_card/CHEMBL1655207/  target=_blank>CHEMBL1655207</a>";;;;;;;;;-6.6;;;;;;;;;;;;"Dhanya RP, Sidique S, Sheffler DJ, Nickols HH, Herath A, Yang L, Dahl R, Ardecky R, Semenova S, Markou A, Conn PJ, Cosford ND.: Design and synthesis of an orally active metabotropic glutamate receptor subtype-2 (mGluR2) positive allosteric modulator (PAM) that decreases cocaine self-administration in rats. J Med Chem, Volume 54 (1), 2011";ChEMBL
MM472582;MM472582;O=C(O)c1cc(-c2cccc(COc3ccc4c(c3)CN(C3CCCCC3)C4=O)c2)ccc1Cl;IBQPSJPBASPNCR-UHFFFAOYSA-N;475.97;6.57;;;;;GENER;EPAM;25;0;"<a href=https://www.ebi.ac.uk/chembl/assay_report_card/CHEMBL1655207/  target=_blank>CHEMBL1655207</a>";;;;;;;;;-6.5;;;;;;;;;;;;"Dhanya RP, Sidique S, Sheffler DJ, Nickols HH, Herath A, Yang L, Dahl R, Ardecky R, Semenova S, Markou A, Conn PJ, Cosford ND.: Design and synthesis of an orally active metabotropic glutamate receptor subtype-2 (mGluR2) positive allosteric modulator (PAM) that decreases cocaine self-administration in rats. J Med Chem, Volume 54 (1), 2011";ChEMBL
MM472581;MM472581;O=C(O)c1cc(-c2cccc(COc3ccc4c(c3)CN(Cc3ccc(C(F)(F)F)cc3)C4=O)c2)ccc1Cl;UWTLBJDYPAUTTF-UHFFFAOYSA-N;551.95;7.46;53321382;;;CHEMBL1651216;GENER;EPAM;25;0;"<a href=https://www.ebi.ac.uk/chembl/assay_report_card/CHEMBL1655207/  target=_blank>CHEMBL1655207</a>";;;;;;;;;-7.8;;;;;;;;;;;;"Dhanya RP, Sidique S, Sheffler DJ, Nickols HH, Herath A, Yang L, Dahl R, Ardecky R, Semenova S, Markou A, Conn PJ, Cosford ND.: Design and synthesis of an orally active metabotropic glutamate receptor subtype-2 (mGluR2) positive allosteric modulator (PAM) that decreases cocaine self-administration in rats. J Med Chem, Volume 54 (1), 2011";ChEMBL
MM472580;MM472580;CC(C)CCN1Cc2cc(OCc3cccc(-c4ccc(Cl)c(C(=O)O)c4)c3)ccc2C1=O;IMHMIERAXZPLJV-UHFFFAOYSA-N;463.96;6.29;50994051;;;CHEMBL1651217;GENER;EPAM;25;0;"<a href=https://www.ebi.ac.uk/chembl/assay_report_card/CHEMBL1655207/  target=_blank>CHEMBL1655207</a>";;;;;;;;;-5.8;;;;;;;;;;;;"Dhanya RP, Sidique S, Sheffler DJ, Nickols HH, Herath A, Yang L, Dahl R, Ardecky R, Semenova S, Markou A, Conn PJ, Cosford ND.: Design and synthesis of an orally active metabotropic glutamate receptor subtype-2 (mGluR2) positive allosteric modulator (PAM) that decreases cocaine self-administration in rats. J Med Chem, Volume 54 (1), 2011";ChEMBL
MM472579;MM472579;CCCN1Cc2cc(OCc3cccc(-c4ccc(Cl)c(C(=O)O)c4)c3)ccc2C1=O;PPCPRTGTJBOFEI-UHFFFAOYSA-N;435.91;5.65;50994052;;;CHEMBL1651218;GENER;EPAM;25;0;"<a href=https://www.ebi.ac.uk/chembl/assay_report_card/CHEMBL1655207/  target=_blank>CHEMBL1655207</a>";;;;;;;;;-4.9;;;;;;;;;;;;"Dhanya RP, Sidique S, Sheffler DJ, Nickols HH, Herath A, Yang L, Dahl R, Ardecky R, Semenova S, Markou A, Conn PJ, Cosford ND.: Design and synthesis of an orally active metabotropic glutamate receptor subtype-2 (mGluR2) positive allosteric modulator (PAM) that decreases cocaine self-administration in rats. J Med Chem, Volume 54 (1), 2011";ChEMBL
MM472578;MM472578;O=C(O)c1cc(-c2cccc(COc3ccc4c(=O)n(C5CCCC5)sc4c3)c2)ccc1Cl;ZQBPXBADOJMCRU-UHFFFAOYSA-N;479.99;6.78;46182736;;;CHEMBL1651219;GENER;EPAM;25;0;"<a href=https://www.ebi.ac.uk/chembl/assay_report_card/CHEMBL1655207/  target=_blank>CHEMBL1655207</a>";;;;;;;;;-5.4;;;;;;;;;;;;"Dhanya RP, Sidique S, Sheffler DJ, Nickols HH, Herath A, Yang L, Dahl R, Ardecky R, Semenova S, Markou A, Conn PJ, Cosford ND.: Design and synthesis of an orally active metabotropic glutamate receptor subtype-2 (mGluR2) positive allosteric modulator (PAM) that decreases cocaine self-administration in rats. J Med Chem, Volume 54 (1), 2011";ChEMBL
MM472577;MM472577;O=C(O)c1cc(-c2cccc(COc3ccc4c(=O)n(C5CCCC5)oc4c3)c2)ccc1Cl;RGJRUFROGILIAI-UHFFFAOYSA-N;463.92;6.31;50994757;;;CHEMBL1651220;GENER;EPAM;25;0;"<a href=https://www.ebi.ac.uk/chembl/assay_report_card/CHEMBL1655207/  target=_blank>CHEMBL1655207</a>";;;;;;;;;-6.3;;;;;;;;;;;;"Dhanya RP, Sidique S, Sheffler DJ, Nickols HH, Herath A, Yang L, Dahl R, Ardecky R, Semenova S, Markou A, Conn PJ, Cosford ND.: Design and synthesis of an orally active metabotropic glutamate receptor subtype-2 (mGluR2) positive allosteric modulator (PAM) that decreases cocaine self-administration in rats. J Med Chem, Volume 54 (1), 2011";ChEMBL
MM472576;MM472576;O=C(O)c1cc(-c2cccc(COc3ccc4c(c3)CCN(C3CCCC3)C4=O)c2)ccc1Cl;OAQBFIUKZFPSMN-UHFFFAOYSA-N;475.97;6.23;50994823;;;CHEMBL1651221;GENER;EPAM;25;0;"<a href=https://www.ebi.ac.uk/chembl/assay_report_card/CHEMBL1655207/  target=_blank>CHEMBL1655207</a>";;;;;;;;;-6.1;;;;;;;;;;;;"Dhanya RP, Sidique S, Sheffler DJ, Nickols HH, Herath A, Yang L, Dahl R, Ardecky R, Semenova S, Markou A, Conn PJ, Cosford ND.: Design and synthesis of an orally active metabotropic glutamate receptor subtype-2 (mGluR2) positive allosteric modulator (PAM) that decreases cocaine self-administration in rats. J Med Chem, Volume 54 (1), 2011";ChEMBL
MM472012;MM472012;CC1(O)CC(c2nc(-c3ccc4ccc(-c5ccccc5)nc4c3F)c3c(N)ncnn23)C1;;440.48;4.36;53319267;;;CHEMBL1667935;GENER;EPAM;25;0;"ph = 5, <a href=https://www.ebi.ac.uk/chembl/assay_report_card/CHEMBL1695283/  target=_blank>CHEMBL1695283</a>";;;;;;;;;-3.96;;;;;;;;;;;;"Jin M, Gokhale PC, Cooke A, Foreman K, Buck E, May EW, Feng L, Bittner MA, Kadalbajoo M, Landfair D, Siu KW, Stolz KM, Werner DS, Laufer RS, Li AH, Dong H, Steinig AG, Kleinberg A, Yao Y, Pachter JA, Wild R, Mulvihill MJ.: Discovery of an Orally Efficacious Imidazo[5,1-f][1,2,4]triazine Dual Inhibitor of IGF-1R and IR. ACS Med Chem Lett, Volume 1 (9), 2010";ChEMBL
MM472012;MM472012;CC1(O)CC(c2nc(-c3ccc4ccc(-c5ccccc5)nc4c3F)c3c(N)ncnn23)C1;;440.48;4.36;53319267;;;CHEMBL1667935;GENER;EPAM;25;0;"ph = 7.4, <a href=https://www.ebi.ac.uk/chembl/assay_report_card/CHEMBL1695284/  target=_blank>CHEMBL1695284</a>";;;;;;;;;-3.96;;;;;;;;;;;;"Jin M, Gokhale PC, Cooke A, Foreman K, Buck E, May EW, Feng L, Bittner MA, Kadalbajoo M, Landfair D, Siu KW, Stolz KM, Werner DS, Laufer RS, Li AH, Dong H, Steinig AG, Kleinberg A, Yao Y, Pachter JA, Wild R, Mulvihill MJ.: Discovery of an Orally Efficacious Imidazo[5,1-f][1,2,4]triazine Dual Inhibitor of IGF-1R and IR. ACS Med Chem Lett, Volume 1 (9), 2010";ChEMBL
MM472509;MM472509;Nc1nccn2c(C3CCC(CO)CC3)nc(-c3ccc4ccc(-c5ccccc5)nc4c3F)c12;DBVAFYOHTCCGQW-IRJFHVNHSA-N;467.55;5.6;53319268;;;CHEMBL1667936;GENER;EPAM;25;0;"ph = 5, <a href=https://www.ebi.ac.uk/chembl/assay_report_card/CHEMBL1670385/  target=_blank>CHEMBL1670385</a>";;;;;;;;;-3.06;;;;;;;;;;;;"Jin M, Kleinberg A, Cooke A, Gokhale PC, Foreman K, Dong H, Siu KW, Bittner MA, Mulvihill KM, Yao Y, Landfair D, O'Connor M, Mak G, Pachter JA, Wild R, Rosenfeld-Franklin M, Ji Q, Mulvihill MJ.: Potent and selective cyclohexyl-derived imidazopyrazine insulin-like growth factor 1 receptor inhibitors with in vivo efficacy. Bioorg Med Chem Lett, Volume 21 (4), 2011";ChEMBL
MM471539;MM471539;NC(=O)C1CCC(c2nc(-c3ccc4ccc(-c5ccccc5)nc4c3F)c3c(N)nccn23)CC1;;480.55;5.09;53316637;;;CHEMBL1667940;GENER;EPAM;25;0;"ph = 5, <a href=https://www.ebi.ac.uk/chembl/assay_report_card/CHEMBL1670385/  target=_blank>CHEMBL1670385</a>";;;;;;;;;-4.35;;;;;;;;;;;;"Jin M, Kleinberg A, Cooke A, Gokhale PC, Foreman K, Dong H, Siu KW, Bittner MA, Mulvihill KM, Yao Y, Landfair D, O'Connor M, Mak G, Pachter JA, Wild R, Rosenfeld-Franklin M, Ji Q, Mulvihill MJ.: Potent and selective cyclohexyl-derived imidazopyrazine insulin-like growth factor 1 receptor inhibitors with in vivo efficacy. Bioorg Med Chem Lett, Volume 21 (4), 2011";ChEMBL
MM471539;MM471539;NC(=O)C1CCC(c2nc(-c3ccc4ccc(-c5ccccc5)nc4c3F)c3c(N)nccn23)CC1;;480.55;5.09;53316637;;;CHEMBL1667940;GENER;EPAM;25;0;"ph = 7.4, <a href=https://www.ebi.ac.uk/chembl/assay_report_card/CHEMBL1670386/  target=_blank>CHEMBL1670386</a>";;;;;;;;;-4.2;;;;;;;;;;;;"Jin M, Kleinberg A, Cooke A, Gokhale PC, Foreman K, Dong H, Siu KW, Bittner MA, Mulvihill KM, Yao Y, Landfair D, O'Connor M, Mak G, Pachter JA, Wild R, Rosenfeld-Franklin M, Ji Q, Mulvihill MJ.: Potent and selective cyclohexyl-derived imidazopyrazine insulin-like growth factor 1 receptor inhibitors with in vivo efficacy. Bioorg Med Chem Lett, Volume 21 (4), 2011";ChEMBL
MM471540;MM471540;Nc1nccn2c(C3CCC(C(=O)Nc4nncs4)CC3)nc(-c3ccc4ccc(-c5ccccc5)nc4c3F)c12;IYHDQGNBIDQYLJ-MXVIHJGJSA-N;564.65;6.1;53323211;;;CHEMBL1667941;GENER;EPAM;25;0;"ph = 7.4, <a href=https://www.ebi.ac.uk/chembl/assay_report_card/CHEMBL1670386/  target=_blank>CHEMBL1670386</a>";;;;;;;;;-4.07;;;;;;;;;;;;"Jin M, Kleinberg A, Cooke A, Gokhale PC, Foreman K, Dong H, Siu KW, Bittner MA, Mulvihill KM, Yao Y, Landfair D, O'Connor M, Mak G, Pachter JA, Wild R, Rosenfeld-Franklin M, Ji Q, Mulvihill MJ.: Potent and selective cyclohexyl-derived imidazopyrazine insulin-like growth factor 1 receptor inhibitors with in vivo efficacy. Bioorg Med Chem Lett, Volume 21 (4), 2011";ChEMBL
MM471542;MM471542;COC1CCNC1CNC(=O)c1ccc(-c2cnc3ccc(NCC4CC4)nn23)cc1;JXUBMUQJWOBLQL-QUCCMNQESA-N;420.52;2.32;53320812;;;CHEMBL1669326;GENER;EPAM;25;0;"ph = 7.4, <a href=https://www.ebi.ac.uk/chembl/assay_report_card/CHEMBL1671203/  target=_blank>CHEMBL1671203</a>";;;;;;;;;-5.19;;;;;;;;;;;;"Shimizu H, Yasumatsu I, Hamada T, Yoneda Y, Yamasaki T, Tanaka S, Toki T, Yokoyama M, Morishita K, Iimura S.: Discovery of imidazo[1,2-b]pyridazines as IKKβ inhibitors. Part 2: improvement of potency in vitro and in vivo. Bioorg Med Chem Lett, Volume 21 (3), 2011";ChEMBL
MM471543;MM471543;O=C(NCC1CC(F)CN1)c1ccc(-c2cnc3ccc(NCC4CC4)nn23)cc1;FCDBCRNHJZQDCG-MSOLQXFVSA-N;408.48;2.65;53316856;;;CHEMBL1669329;GENER;EPAM;25;0;"ph = 7.4, <a href=https://www.ebi.ac.uk/chembl/assay_report_card/CHEMBL1671203/  target=_blank>CHEMBL1671203</a>";;;;;;;;;-4.44;;;;;;;;;;;;"Shimizu H, Yasumatsu I, Hamada T, Yoneda Y, Yamasaki T, Tanaka S, Toki T, Yokoyama M, Morishita K, Iimura S.: Discovery of imidazo[1,2-b]pyridazines as IKKβ inhibitors. Part 2: improvement of potency in vitro and in vivo. Bioorg Med Chem Lett, Volume 21 (3), 2011";ChEMBL
MM471544;MM471544;CN(CC1CCCN1)C(=O)c1ccc(-c2cnc3ccc(NCC4CC4)nn23)cc1;AKWSIDWVFMPINB-IBGZPJMESA-N;404.52;3.04;53318177;;;CHEMBL1669330;GENER;EPAM;25;0;"ph = 7.4, <a href=https://www.ebi.ac.uk/chembl/assay_report_card/CHEMBL1671203/  target=_blank>CHEMBL1671203</a>";;;;;;;;;-5.21;;;;;;;;;;;;"Shimizu H, Yasumatsu I, Hamada T, Yoneda Y, Yamasaki T, Tanaka S, Toki T, Yokoyama M, Morishita K, Iimura S.: Discovery of imidazo[1,2-b]pyridazines as IKKβ inhibitors. Part 2: improvement of potency in vitro and in vivo. Bioorg Med Chem Lett, Volume 21 (3), 2011";ChEMBL
MM471545;MM471545;CCN(CC1CC(F)CN1)C(=O)c1ccc(-c2cnc3ccc(NCC4CC4)nn23)cc1;TWEYJMZZQBJMDD-UXHICEINSA-N;436.54;3.38;53324309;;;CHEMBL1669332;GENER;EPAM;25;0;"ph = 7.4, <a href=https://www.ebi.ac.uk/chembl/assay_report_card/CHEMBL1671203/  target=_blank>CHEMBL1671203</a>";;;;;;;;;-4.38;;;;;;;;;;;;"Shimizu H, Yasumatsu I, Hamada T, Yoneda Y, Yamasaki T, Tanaka S, Toki T, Yokoyama M, Morishita K, Iimura S.: Discovery of imidazo[1,2-b]pyridazines as IKKβ inhibitors. Part 2: improvement of potency in vitro and in vivo. Bioorg Med Chem Lett, Volume 21 (3), 2011";ChEMBL
MM471546;MM471546;O=C(c1ccc(-c2cnc3ccc(NCC4CC4)nn23)cc1)N(Cc1ccc(Cl)cc1)CC1CC(F)CN1;JHAQDACUOASJFN-RPBOFIJWSA-N;533.05;5.21;51003477;;;CHEMBL1669336;GENER;EPAM;25;0;"ph = 7.4, <a href=https://www.ebi.ac.uk/chembl/assay_report_card/CHEMBL1671203/  target=_blank>CHEMBL1671203</a>";;;;;;;;;-4.41;;;;;;;;;;;;"Shimizu H, Yasumatsu I, Hamada T, Yoneda Y, Yamasaki T, Tanaka S, Toki T, Yokoyama M, Morishita K, Iimura S.: Discovery of imidazo[1,2-b]pyridazines as IKKβ inhibitors. Part 2: improvement of potency in vitro and in vivo. Bioorg Med Chem Lett, Volume 21 (3), 2011";ChEMBL
MM471547;MM471547;O=C(O)CN(CC1CC(F)CN1)C(=O)c1ccc(-c2cnc3ccc(NCC4CC4)nn23)cc1;FERXNRXQECFJAW-MOPGFXCFSA-N;466.52;2.45;53322965;;;CHEMBL1669339;GENER;EPAM;25;0;"ph = 7.4, <a href=https://www.ebi.ac.uk/chembl/assay_report_card/CHEMBL1671203/  target=_blank>CHEMBL1671203</a>";;;;;;;;;-4.85;;;;;;;;;;;;"Shimizu H, Yasumatsu I, Hamada T, Yoneda Y, Yamasaki T, Tanaka S, Toki T, Yokoyama M, Morishita K, Iimura S.: Discovery of imidazo[1,2-b]pyridazines as IKKβ inhibitors. Part 2: improvement of potency in vitro and in vivo. Bioorg Med Chem Lett, Volume 21 (3), 2011";ChEMBL
MM471548;MM471548;O=C(c1ccc(-c2cnc3ccc(NCC4CC4)nn23)cc1)N(CCO)CC1CC(F)CN1;FCIZALUMQYUBST-UXHICEINSA-N;452.53;2.35;53324797;;;CHEMBL1669340;GENER;EPAM;25;0;"ph = 7.4, <a href=https://www.ebi.ac.uk/chembl/assay_report_card/CHEMBL1671203/  target=_blank>CHEMBL1671203</a>";;;;;;;;;-4.82;;;;;;;;;;;;"Shimizu H, Yasumatsu I, Hamada T, Yoneda Y, Yamasaki T, Tanaka S, Toki T, Yokoyama M, Morishita K, Iimura S.: Discovery of imidazo[1,2-b]pyridazines as IKKβ inhibitors. Part 2: improvement of potency in vitro and in vivo. Bioorg Med Chem Lett, Volume 21 (3), 2011";ChEMBL
MM473124;MM473124;O=C(NC1(C(=O)NC(Cc2ccccc2)C(=O)NCC2CCN(CC3CCOCC3)CC2)CCCC1)c1ccc(-n2cccc2)cc1Cl;ZUOUNFWNIKLCLI-UMSFTDKQSA-N;674.29;5.16;53326714;;;CHEMBL1683147;GENER;EPAM;25;0;"<a href=https://www.ebi.ac.uk/chembl/assay_report_card/CHEMBL1687458/  target=_blank>CHEMBL1687458</a>";;;;;;;;;-6.8;;;;;;;;;;;;"Ettorre A, D'Andrea P, Mauro S, Porcelloni M, Rossi C, Altamura M, Catalioto RM, Giuliani S, Maggi CA, Fattori D.: hNK2 receptor antagonists. The use of intramolecular hydrogen bonding to increase solubility and membrane permeability. Bioorg Med Chem Lett, Volume 21 (6), 2011";ChEMBL
MM473125;MM473125;O=C(NC1(C(=O)NC(Cc2ccccc2)C(=O)NCC2CCN(CC3CCOCC3)CC2)CCCC1)c1ccc(-n2cccc2)cc1F;ZDMDLPSBBZSJEE-UMSFTDKQSA-N;657.83;4.64;53322827;;;CHEMBL1683148;GENER;EPAM;25;0;"<a href=https://www.ebi.ac.uk/chembl/assay_report_card/CHEMBL1687458/  target=_blank>CHEMBL1687458</a>";;;;;;;;;-6.18;;;;;;;;;;;;"Ettorre A, D'Andrea P, Mauro S, Porcelloni M, Rossi C, Altamura M, Catalioto RM, Giuliani S, Maggi CA, Fattori D.: hNK2 receptor antagonists. The use of intramolecular hydrogen bonding to increase solubility and membrane permeability. Bioorg Med Chem Lett, Volume 21 (6), 2011";ChEMBL
MM473126;MM473126;CCCCc1ccc(C(=O)NC2(C(=O)N[C@@H](Cc3ccccc3)C(=O)NCC3CCN(CC4CCOCC4)CC3)CCCC2)cc1;FNWMFLJWSOZBPX-UMSFTDKQSA-N;630.87;5.05;;;;;GENER;EPAM;25;0;"<a href=https://www.ebi.ac.uk/chembl/assay_report_card/CHEMBL1687458/  target=_blank>CHEMBL1687458</a>";;;;;;;;;-5.8;;;;;;;;;;;;"Ettorre A, D'Andrea P, Mauro S, Porcelloni M, Rossi C, Altamura M, Catalioto RM, Giuliani S, Maggi CA, Fattori D.: hNK2 receptor antagonists. The use of intramolecular hydrogen bonding to increase solubility and membrane permeability. Bioorg Med Chem Lett, Volume 21 (6), 2011";ChEMBL
MM473127;MM473127;CCCCc1ccc(C(=O)NC2(C(=O)N[C@@H](Cc3ccccc3)C(=O)NCC3CCN(CC4CCOCC4)CC3)CCCC2)nc1;NUEAGESSSAENGD-XIFFEERXSA-N;631.86;4.45;;;;;GENER;EPAM;25;0;"<a href=https://www.ebi.ac.uk/chembl/assay_report_card/CHEMBL1687458/  target=_blank>CHEMBL1687458</a>";;;;;;;;;-5.14;;;;;;;;;;;;"Ettorre A, D'Andrea P, Mauro S, Porcelloni M, Rossi C, Altamura M, Catalioto RM, Giuliani S, Maggi CA, Fattori D.: hNK2 receptor antagonists. The use of intramolecular hydrogen bonding to increase solubility and membrane permeability. Bioorg Med Chem Lett, Volume 21 (6), 2011";ChEMBL
MM473128;MM473128;O=C(NC1(C(=O)N[C@H](CCCN2CCN(CC3CCOCC3)CC2)Cc2ccccc2)CCCC1)c1ccc2ccccc2c1;ZXRIWIVIXXWDGK-PGUFJCEWSA-N;610.84;5.43;;;;;GENER;EPAM;25;0;"<a href=https://www.ebi.ac.uk/chembl/assay_report_card/CHEMBL1687458/  target=_blank>CHEMBL1687458</a>";;;;;;;;;-5.22;;;;;;;;;;;;"Ettorre A, D'Andrea P, Mauro S, Porcelloni M, Rossi C, Altamura M, Catalioto RM, Giuliani S, Maggi CA, Fattori D.: hNK2 receptor antagonists. The use of intramolecular hydrogen bonding to increase solubility and membrane permeability. Bioorg Med Chem Lett, Volume 21 (6), 2011";ChEMBL
MM473129;MM473129;O=C(NC1(C(=O)NC(CCCN2CCN(CC3CCOCC3)CC2)Cc2ccccc2)CCCC1)c1cc2ccccc2cn1;ONUCNPNYIMMSHV-MGBGTMOVSA-N;611.83;4.83;52918297;;;CHEMBL1683152;GENER;EPAM;25;0;"<a href=https://www.ebi.ac.uk/chembl/assay_report_card/CHEMBL1687458/  target=_blank>CHEMBL1687458</a>";;;;;;;;;-4.81;;;;;;;;;;;;"Ettorre A, D'Andrea P, Mauro S, Porcelloni M, Rossi C, Altamura M, Catalioto RM, Giuliani S, Maggi CA, Fattori D.: hNK2 receptor antagonists. The use of intramolecular hydrogen bonding to increase solubility and membrane permeability. Bioorg Med Chem Lett, Volume 21 (6), 2011";ChEMBL
MM473130;MM473130;COc1cc2ccccc2cc1C(=O)NC1(C(=O)NC(CCCN2CCN(CC3CCOCC3)CC2)Cc2ccccc2)CCCC1;MOPFRPUDCVVVPA-UUWRZZSWSA-N;640.87;5.44;53317584;;;CHEMBL1683153;GENER;EPAM;25;0;"<a href=https://www.ebi.ac.uk/chembl/assay_report_card/CHEMBL1687458/  target=_blank>CHEMBL1687458</a>";;;;;;;;;-4.92;;;;;;;;;;;;"Ettorre A, D'Andrea P, Mauro S, Porcelloni M, Rossi C, Altamura M, Catalioto RM, Giuliani S, Maggi CA, Fattori D.: hNK2 receptor antagonists. The use of intramolecular hydrogen bonding to increase solubility and membrane permeability. Bioorg Med Chem Lett, Volume 21 (6), 2011";ChEMBL
MM473131;MM473131;COc1c(C(=O)NC2(C(=O)NC(CCCN3CCN(CC4CCOCC4)CC3)Cc3ccccc3)CCCC2)ccc2ccccc12;OTLFJNPFYBOAPG-MGBGTMOVSA-N;640.87;5.44;52918299;;;CHEMBL1683154;GENER;EPAM;25;0;"<a href=https://www.ebi.ac.uk/chembl/assay_report_card/CHEMBL1687458/  target=_blank>CHEMBL1687458</a>";;;;;;;;;-5.17;;;;;;;;;;;;"Ettorre A, D'Andrea P, Mauro S, Porcelloni M, Rossi C, Altamura M, Catalioto RM, Giuliani S, Maggi CA, Fattori D.: hNK2 receptor antagonists. The use of intramolecular hydrogen bonding to increase solubility and membrane permeability. Bioorg Med Chem Lett, Volume 21 (6), 2011";ChEMBL
MM473132;MM473132;Cc1c(C(=O)N=C(N)N)ncn1Cc1ccc(Cl)cc1;MBFRJCJPZMFFMU-UHFFFAOYSA-N;291.74;1.31;51346899;;;CHEMBL1683575;GENER;EPAM;25;0;"<a href=https://www.ebi.ac.uk/chembl/assay_report_card/CHEMBL1685366/  target=_blank>CHEMBL1685366</a>";;;;;;;;;-5.59;;;;;;;;;;;;"Atkinson KA, Beretta EE, Brown JA, Castrodad M, Chen Y, Cosgrove JM, Du P, Litchfield J, Makowski M, Martin K, McLellan TJ, Neagu C, Perry DA, Piotrowski DW, Steppan CM, Trilles R.: N-benzylimidazole carboxamides as potent, orally active stearoylCoA desaturase-1 inhibitors. Bioorg Med Chem Lett, Volume 21 (6), 2011";ChEMBL
MM473289;MM473289;Nc1ncc(-c2nc(N3CCOCC3)nc3c2CCN3c2cccnc2)cn1;WZVLQVVHYKFKAZ-UHFFFAOYSA-N;376.42;1.44;24889936;;;CHEMBL1684986;GENER;EPAM;25;0;"<a href=https://www.ebi.ac.uk/chembl/assay_report_card/CHEMBL3736948/  target=_blank>CHEMBL3736948</a>";;;;;;;;;-5.72;;;;;;;;;;;;"Kawada H, Ebiike H, Tsukazaki M, Yamamoto S, Koyama K, Nakamura M, Morikami K, Yoshinari K, Yoshida M, Ogawa K, Shinma N, Tsukuda T, Ohwada J.: Modification of a dihydropyrrolopyrimidine phosphoinositide 3-kinase (PI3K) inhibitor to improve oral bioavailability. Bioorg Med Chem, Volume 23 (24), 2015";ChEMBL
MM471550;MM471550;Cc1cc(NC(=O)Nc2ccc(C)c(Cl)c2)c2ccccc2n1;XGJCNQIEHUPXTE-UHFFFAOYSA-N;325.8;5.15;9949224;;;CHEMBL1687983;GENER;EPAM;25;0;"ph = 7.4, <a href=https://www.ebi.ac.uk/chembl/assay_report_card/CHEMBL1696258/  target=_blank>CHEMBL1696258</a>";;;;;;;;;-3.58;;;;;;;;;;;;"Zhang Y, Anderson M, Weisman JL, Lu M, Choy CJ, Boyd VA, Price J, Sigal M, Clark J, Connelly M, Zhu F, Guiguemde WA, Jeffries C, Yang L, Lemoff A, Liou AP, Webb TR, Derisi JL, Guy RK.: Evaluation of Diarylureas for Activity Against Plasmodium falciparum. ACS Med Chem Lett, Volume 1 (9), 2010";ChEMBL
MM471552;MM471552;CCc1ccc(NC(=O)Nc2cc(C)nc3ccccc23)cc1;HNGJNHNCKIZJCK-UHFFFAOYSA-N;305.38;4.75;9948446;;;CHEMBL1687984;GENER;EPAM;25;0;"ph = 7.4, <a href=https://www.ebi.ac.uk/chembl/assay_report_card/CHEMBL1696258/  target=_blank>CHEMBL1696258</a>";;;;;;;;;-3.27;;;;;;;;;;;;"Zhang Y, Anderson M, Weisman JL, Lu M, Choy CJ, Boyd VA, Price J, Sigal M, Clark J, Connelly M, Zhu F, Guiguemde WA, Jeffries C, Yang L, Lemoff A, Liou AP, Webb TR, Derisi JL, Guy RK.: Evaluation of Diarylureas for Activity Against Plasmodium falciparum. ACS Med Chem Lett, Volume 1 (9), 2010";ChEMBL
MM471553;MM471553;Cc1ccc(NC(=O)Nc2cc(C)nc3ccccc23)cc1;HPZZLUMHLOCFLV-UHFFFAOYSA-N;291.35;4.5;16085874;;;CHEMBL1687985;GENER;EPAM;25;0;"ph = 7.4, <a href=https://www.ebi.ac.uk/chembl/assay_report_card/CHEMBL1696258/  target=_blank>CHEMBL1696258</a>";;;;;;;;;-3.17;;;;;;;;;;;;"Zhang Y, Anderson M, Weisman JL, Lu M, Choy CJ, Boyd VA, Price J, Sigal M, Clark J, Connelly M, Zhu F, Guiguemde WA, Jeffries C, Yang L, Lemoff A, Liou AP, Webb TR, Derisi JL, Guy RK.: Evaluation of Diarylureas for Activity Against Plasmodium falciparum. ACS Med Chem Lett, Volume 1 (9), 2010";ChEMBL
MM471554;MM471554;Cc1cc(NC(=O)Nc2cccc(Cl)c2)c2ccccc2n1;BWCYDFBYHRCCKX-UHFFFAOYSA-N;311.77;4.84;4536829;;;CHEMBL1687986;GENER;EPAM;25;0;"ph = 7.4, <a href=https://www.ebi.ac.uk/chembl/assay_report_card/CHEMBL1696258/  target=_blank>CHEMBL1696258</a>";;;;;;;;;-3.25;;;;;;;;;;;;"Zhang Y, Anderson M, Weisman JL, Lu M, Choy CJ, Boyd VA, Price J, Sigal M, Clark J, Connelly M, Zhu F, Guiguemde WA, Jeffries C, Yang L, Lemoff A, Liou AP, Webb TR, Derisi JL, Guy RK.: Evaluation of Diarylureas for Activity Against Plasmodium falciparum. ACS Med Chem Lett, Volume 1 (9), 2010";ChEMBL
MM471555;MM471555;Cc1cc(NC(=O)Nc2ccc(Cl)c(Cl)c2)c2ccccc2n1;ADMPDKDPAUHBGP-UHFFFAOYSA-N;346.22;5.49;4673551;;;CHEMBL1687987;GENER;EPAM;25;0;"ph = 7.4, <a href=https://www.ebi.ac.uk/chembl/assay_report_card/CHEMBL1696258/  target=_blank>CHEMBL1696258</a>";;;;;;;;;-3.71;;;;;;;;;;;;"Zhang Y, Anderson M, Weisman JL, Lu M, Choy CJ, Boyd VA, Price J, Sigal M, Clark J, Connelly M, Zhu F, Guiguemde WA, Jeffries C, Yang L, Lemoff A, Liou AP, Webb TR, Derisi JL, Guy RK.: Evaluation of Diarylureas for Activity Against Plasmodium falciparum. ACS Med Chem Lett, Volume 1 (9), 2010";ChEMBL
MM471556;MM471556;Cc1cc(NC(=O)Nc2ccc(Cl)cc2Cl)c2ccccc2n1;SZPJCVSCONGCGU-UHFFFAOYSA-N;346.22;5.49;16085904;;;CHEMBL1687988;GENER;EPAM;25;0;"ph = 7.4, <a href=https://www.ebi.ac.uk/chembl/assay_report_card/CHEMBL1696258/  target=_blank>CHEMBL1696258</a>";;;;;;;;;-5.22;;;;;;;;;;;;"Zhang Y, Anderson M, Weisman JL, Lu M, Choy CJ, Boyd VA, Price J, Sigal M, Clark J, Connelly M, Zhu F, Guiguemde WA, Jeffries C, Yang L, Lemoff A, Liou AP, Webb TR, Derisi JL, Guy RK.: Evaluation of Diarylureas for Activity Against Plasmodium falciparum. ACS Med Chem Lett, Volume 1 (9), 2010";ChEMBL
MM471558;MM471558;Cc1cc(NC(=O)Nc2ccc(Cl)c(C(F)(F)F)c2)c2ccccc2n1;CVSOPPYMGJDQET-UHFFFAOYSA-N;379.77;5.86;53319754;;;CHEMBL1687990;GENER;EPAM;25;0;"ph = 7.4, <a href=https://www.ebi.ac.uk/chembl/assay_report_card/CHEMBL1696258/  target=_blank>CHEMBL1696258</a>";;;;;;;;;-4.2;;;;;;;;;;;;"Zhang Y, Anderson M, Weisman JL, Lu M, Choy CJ, Boyd VA, Price J, Sigal M, Clark J, Connelly M, Zhu F, Guiguemde WA, Jeffries C, Yang L, Lemoff A, Liou AP, Webb TR, Derisi JL, Guy RK.: Evaluation of Diarylureas for Activity Against Plasmodium falciparum. ACS Med Chem Lett, Volume 1 (9), 2010";ChEMBL
MM471559;MM471559;Cc1cc(NC(=O)Nc2ccccc2F)c2ccccc2n1;NCDCHPMCNVQSPX-UHFFFAOYSA-N;295.32;4.33;5052662;;;CHEMBL1687991;GENER;EPAM;25;0;"ph = 7.4, <a href=https://www.ebi.ac.uk/chembl/assay_report_card/CHEMBL1696258/  target=_blank>CHEMBL1696258</a>";;;;;;;;;-3.09;;;;;;;;;;;;"Zhang Y, Anderson M, Weisman JL, Lu M, Choy CJ, Boyd VA, Price J, Sigal M, Clark J, Connelly M, Zhu F, Guiguemde WA, Jeffries C, Yang L, Lemoff A, Liou AP, Webb TR, Derisi JL, Guy RK.: Evaluation of Diarylureas for Activity Against Plasmodium falciparum. ACS Med Chem Lett, Volume 1 (9), 2010";ChEMBL
MM471560;MM471560;Cc1cc(NC(=O)Nc2ccc(F)cc2)c2ccccc2n1;LNIHAMGNOIKRMR-UHFFFAOYSA-N;295.32;4.33;4067480;;;CHEMBL1687993;GENER;EPAM;25;0;"ph = 7.4, <a href=https://www.ebi.ac.uk/chembl/assay_report_card/CHEMBL1696258/  target=_blank>CHEMBL1696258</a>";;;;;;;;;-3.1;;;;;;;;;;;;"Zhang Y, Anderson M, Weisman JL, Lu M, Choy CJ, Boyd VA, Price J, Sigal M, Clark J, Connelly M, Zhu F, Guiguemde WA, Jeffries C, Yang L, Lemoff A, Liou AP, Webb TR, Derisi JL, Guy RK.: Evaluation of Diarylureas for Activity Against Plasmodium falciparum. ACS Med Chem Lett, Volume 1 (9), 2010";ChEMBL
MM471561;MM471561;Cc1cc(NC(=O)Nc2ccc(F)cc2F)c2ccccc2n1;CPGURSRCDYMDNZ-UHFFFAOYSA-N;313.31;4.47;16085890;;;CHEMBL1687994;GENER;EPAM;25;0;"ph = 7.4, <a href=https://www.ebi.ac.uk/chembl/assay_report_card/CHEMBL1696258/  target=_blank>CHEMBL1696258</a>";;;;;;;;;-3.19;;;;;;;;;;;;"Zhang Y, Anderson M, Weisman JL, Lu M, Choy CJ, Boyd VA, Price J, Sigal M, Clark J, Connelly M, Zhu F, Guiguemde WA, Jeffries C, Yang L, Lemoff A, Liou AP, Webb TR, Derisi JL, Guy RK.: Evaluation of Diarylureas for Activity Against Plasmodium falciparum. ACS Med Chem Lett, Volume 1 (9), 2010";ChEMBL
MM471562;MM471562;Cc1cc(NC(=O)Nc2cc(F)ccc2F)c2ccccc2n1;ZFPLGIGDAMVSQN-UHFFFAOYSA-N;313.31;4.47;16085851;;;CHEMBL1687995;GENER;EPAM;25;0;"ph = 7.4, <a href=https://www.ebi.ac.uk/chembl/assay_report_card/CHEMBL1696258/  target=_blank>CHEMBL1696258</a>";;;;;;;;;-3.27;;;;;;;;;;;;"Zhang Y, Anderson M, Weisman JL, Lu M, Choy CJ, Boyd VA, Price J, Sigal M, Clark J, Connelly M, Zhu F, Guiguemde WA, Jeffries C, Yang L, Lemoff A, Liou AP, Webb TR, Derisi JL, Guy RK.: Evaluation of Diarylureas for Activity Against Plasmodium falciparum. ACS Med Chem Lett, Volume 1 (9), 2010";ChEMBL
MM471563;MM471563;Cc1cc(NC(=O)Nc2ccc(F)c(F)c2)c2ccccc2n1;PQDQXZBTLSPWDP-UHFFFAOYSA-N;313.31;4.47;16085852;;;CHEMBL1687996;GENER;EPAM;25;0;"ph = 7.4, <a href=https://www.ebi.ac.uk/chembl/assay_report_card/CHEMBL1696258/  target=_blank>CHEMBL1696258</a>";;;;;;;;;-3.32;;;;;;;;;;;;"Zhang Y, Anderson M, Weisman JL, Lu M, Choy CJ, Boyd VA, Price J, Sigal M, Clark J, Connelly M, Zhu F, Guiguemde WA, Jeffries C, Yang L, Lemoff A, Liou AP, Webb TR, Derisi JL, Guy RK.: Evaluation of Diarylureas for Activity Against Plasmodium falciparum. ACS Med Chem Lett, Volume 1 (9), 2010";ChEMBL
MM471564;MM471564;COc1ccc(NC(=O)Nc2cc(C)nc3ccccc23)cc1F;IYNBUUHJWNFIIW-UHFFFAOYSA-N;325.34;4.33;16085892;;;CHEMBL1687998;GENER;EPAM;25;0;"ph = 7.4, <a href=https://www.ebi.ac.uk/chembl/assay_report_card/CHEMBL1696258/  target=_blank>CHEMBL1696258</a>";;;;;;;;;-4.3;;;;;;;;;;;;"Zhang Y, Anderson M, Weisman JL, Lu M, Choy CJ, Boyd VA, Price J, Sigal M, Clark J, Connelly M, Zhu F, Guiguemde WA, Jeffries C, Yang L, Lemoff A, Liou AP, Webb TR, Derisi JL, Guy RK.: Evaluation of Diarylureas for Activity Against Plasmodium falciparum. ACS Med Chem Lett, Volume 1 (9), 2010";ChEMBL
MM471565;MM471565;Cc1cccc(NC(=O)Nc2cc(C)nc3ccccc23)c1;DOWRGPZCQNQNQM-UHFFFAOYSA-N;291.35;4.5;53319755;;;CHEMBL1687999;GENER;EPAM;25;0;"ph = 7.4, <a href=https://www.ebi.ac.uk/chembl/assay_report_card/CHEMBL1696258/  target=_blank>CHEMBL1696258</a>";;;;;;;;;-5.4;;;;;;;;;;;;"Zhang Y, Anderson M, Weisman JL, Lu M, Choy CJ, Boyd VA, Price J, Sigal M, Clark J, Connelly M, Zhu F, Guiguemde WA, Jeffries C, Yang L, Lemoff A, Liou AP, Webb TR, Derisi JL, Guy RK.: Evaluation of Diarylureas for Activity Against Plasmodium falciparum. ACS Med Chem Lett, Volume 1 (9), 2010";ChEMBL
MM472013;MM472013;Nc1ncnn2c(C3CC(N4CCN(C=O)CC4)C3)nc(-c3ccc4ccc(-c5ccccc5)nc4c3F)c12;;522.59;3.75;53319892;;;CHEMBL1688361;GENER;EPAM;25;0;"ph = 7.4, <a href=https://www.ebi.ac.uk/chembl/assay_report_card/CHEMBL1695284/  target=_blank>CHEMBL1695284</a>";;;;;;;;;-3.98;;;;;;;;;;;;"Jin M, Gokhale PC, Cooke A, Foreman K, Buck E, May EW, Feng L, Bittner MA, Kadalbajoo M, Landfair D, Siu KW, Stolz KM, Werner DS, Laufer RS, Li AH, Dong H, Steinig AG, Kleinberg A, Yao Y, Pachter JA, Wild R, Mulvihill MJ.: Discovery of an Orally Efficacious Imidazo[5,1-f][1,2,4]triazine Dual Inhibitor of IGF-1R and IR. ACS Med Chem Lett, Volume 1 (9), 2010";ChEMBL
MM472014;MM472014;CN1CCN(C2CC(c3nc(-c4ccc5ccc(-c6ccccc6)nc5c4F)c4c(N)ncnn34)C2)CC1;;508.61;4.22;11649146;;;CHEMBL1688363;GENER;EPAM;25;0;"ph = 7.4, <a href=https://www.ebi.ac.uk/chembl/assay_report_card/CHEMBL1695284/  target=_blank>CHEMBL1695284</a>";;;;;;;;;-4.17;;;;;;;;;;;;"Jin M, Gokhale PC, Cooke A, Foreman K, Buck E, May EW, Feng L, Bittner MA, Kadalbajoo M, Landfair D, Siu KW, Stolz KM, Werner DS, Laufer RS, Li AH, Dong H, Steinig AG, Kleinberg A, Yao Y, Pachter JA, Wild R, Mulvihill MJ.: Discovery of an Orally Efficacious Imidazo[5,1-f][1,2,4]triazine Dual Inhibitor of IGF-1R and IR. ACS Med Chem Lett, Volume 1 (9), 2010";ChEMBL
MM473133;MM473133;N#Cc1ccccc1N1CCN(C(=O)COCc2ccccc2)CC1;LTPGKAICNBCBPT-UHFFFAOYSA-N;335.41;2.42;46865097;;;CHEMBL1688365;GENER;EPAM;25;0;"<a href=https://www.ebi.ac.uk/chembl/assay_report_card/CHEMBL1696012/  target=_blank>CHEMBL1696012</a>";;;;;;;;;-5.66;;;;;;;;;;;;"Zhou Y, Manka JT, Rodriguez AL, Weaver CD, Days EL, Vinson PN, Jadhav S, Hermann EJ, Jones CK, Conn PJ, Lindsley CW, Stauffer SR.: Discovery of N-Aryl Piperazines as Selective mGlu(5) Potentiators with Efficacy in a Rodent Model Predictive of Anti-Psychotic Activity. ACS Med Chem Lett, Volume 1 (8), 2010";ChEMBL
MM471312;MM471312;CC(C)(C)c1ccc(-n2sc3ccccc3c2=O)cc1;LSWCOOVGYNLMFY-UHFFFAOYSA-N;283.4;4.35;;;;;GENER;EPAM;25;0;"ph = 7.4, <a href=https://www.ebi.ac.uk/chembl/assay_report_card/CHEMBL1777057/  target=_blank>CHEMBL1777057</a>";;;;;;;;;-2.8;;;;;;;;;;;;"Dahl R, Bravo Y, Sharma V, Ichikawa M, Dhanya RP, Hedrick M, Brown B, Rascon J, Vicchiarelli M, Mangravita-Novo A, Yang L, Stonich D, Su Y, Smith LH, Sergienko E, Freeze HH, Cosford ND.: Potent, selective, and orally available benzoisothiazolone phosphomannose isomerase inhibitors as probes for congenital disorder of glycosylation Ia. J Med Chem, Volume 54 (10), 2011";ChEMBL
MM471313;MM471313;Cc1ccc(C)c(-n2sc3cc(F)ccc3c2=O)c1;GRGDWLDSVPJEJU-UHFFFAOYSA-N;273.33;3.81;1510389;;;CHEMBL1725120;GENER;EPAM;25;0;"ph = 7.4, <a href=https://www.ebi.ac.uk/chembl/assay_report_card/CHEMBL1777057/  target=_blank>CHEMBL1777057</a>";;;;;;;;;-2.9;;;;;;;;;;;;"Dahl R, Bravo Y, Sharma V, Ichikawa M, Dhanya RP, Hedrick M, Brown B, Rascon J, Vicchiarelli M, Mangravita-Novo A, Yang L, Stonich D, Su Y, Smith LH, Sergienko E, Freeze HH, Cosford ND.: Potent, selective, and orally available benzoisothiazolone phosphomannose isomerase inhibitors as probes for congenital disorder of glycosylation Ia. J Med Chem, Volume 54 (10), 2011";ChEMBL
Cephalexin;MM00721;CC1=C(C(=O)O)N2C(=O)C(NC(=O)C(N)c3ccccc3)C2SC1;ZAIPMKNFIOOWCQ-UHFFFAOYSA-N;347.4;0.44;27447;DB00567;;CHEMBL1727;GENER;EPAM;25;0;"ph = 7.4, <a href=https://www.ebi.ac.uk/chembl/assay_report_card/CHEMBL1056608/  target=_blank>CHEMBL1056608</a>";;;;;;;;;-7.82;;;;;;;;;;;;"Dreassi E, Zizzari AT, Falchi F, Schenone S, Santucci A, Maga G, Botta M.: Determination of permeability and lipophilicity of pyrazolo-pyrimidine tyrosine kinase inhibitors and correlation with biological data. Eur J Med Chem, Volume 44 (9), 2009";ChEMBL
MM473155;MM473155;CN1CCN(c2ccc(OC(F)(F)F)c(Nc3ncc4c(n3)-c3c(c(C(N)=O)nn3CCO)CC4)c2)CC1;QHLVBNKYJGBCQJ-UHFFFAOYSA-N;532.53;1.92;49792852;;;CHEMBL1738758;GENER;EPAM;25;0;"<a href=https://www.ebi.ac.uk/chembl/assay_report_card/CHEMBL1777615/  target=_blank>CHEMBL1777615</a>";;;;;;;;;-4.3;;;;;;;;;;;;"Beria I, Bossi RT, Brasca MG, Caruso M, Ceccarelli W, Fachin G, Fasolini M, Forte B, Fiorentini F, Pesenti E, Pezzetta D, Posteri H, Scolaro A, Re Depaolini S, Valsasina B.: NMS-P937, a 4,5-dihydro-1H-pyrazolo[4,3-h]quinazoline derivative as potent and selective Polo-like kinase 1 inhibitor. Bioorg Med Chem Lett, Volume 21 (10), 2011";ChEMBL
MM473333;MM473333;Cc1nc2ccc(Cl)cc2c(-c2ccccc2)c1C(=O)O;DTGFDMHLQGULMA-UHFFFAOYSA-N;297.74;4.56;626798;;;CHEMBL1738980;GENER;EPAM;25;0;"<a href=https://www.ebi.ac.uk/chembl/assay_report_card/CHEMBL3861360/  target=_blank>CHEMBL3861360</a>";;;;;;;;;-6.64;;;;;;;;;;;;"Kühne H, Obst-Sander U, Kuhn B, Conte A, Ceccarelli SM, Neidhart W, Rudolph MG, Ottaviani G, Gasser R, So SS, Li S, Zhang X, Gao L, Myers M.: Design and synthesis of selective, dual fatty acid binding protein 4 and 5 inhibitors. Bioorg Med Chem Lett, Volume 26 (20), 2016";ChEMBL
5-[2-(tert-butylamino)-1-hydroxyethyl]benzene-1,3-diol;MM00306;CC(C)(C)NCC(O)c1cc(O)cc(O)c1;XWTYSIMOBUGWOL-UHFFFAOYSA-N;225.29;1.52;5403;DB00871;;CHEMBL1760;GENER;EPAM;25;0;"<a href=https://www.ebi.ac.uk/chembl/assay_report_card/CHEMBL1769838/  target=_blank>CHEMBL1769838</a>";;;;;;;;;-6.4;;;;;;;;;;;;"Flaten GE, Kottra G, Stensen W, Isaksen G, Karstad R, Svendsen JS, Daniel H, Svenson J.: In vitro characterization of human peptide transporter hPEPT1 interactions and passive permeation studies of short cationic antimicrobial peptides. J Med Chem, Volume 54 (7), 2011";ChEMBL
MM474724;MM474724;CCS(=O)(=O)N1CCC(c2c[nH]c3c(C(N)=O)cc(-c4ccccc4)cc23)CC1;UCPWBEUDVDWSCD-UHFFFAOYSA-N;411.53;3.46;11350427;;;CHEMBL1761514;GENER;EPAM;25;0;"<a href=https://www.ebi.ac.uk/chembl/assay_report_card/CHEMBL4329666/  target=_blank>CHEMBL4329666</a>";;;;;;;;;-4.6;;;;;;;;;;;;"Kerns JK, Busch-Petersen J, Fu W, Boehm JC, Nie H, Muratore M, Bullion A, Lin G, Li H, Davis R, Lin X, Lakdawala AS, Cousins R, Field R, Payne J, Miller DD, Bamborough P, Christopher JA, Baldwin I, Osborn RR, Yonchuk J, Webb E, Rumsey WL.: 3,5-Disubstituted-indole-7-carboxamides as IKKβ Inhibitors: Optimization of Oral Activity via the C3 Substituent. ACS Med Chem Lett, Volume 9 (12), 2018";ChEMBL
MM473136;MM473136;CC(C)(C)c1cc(C(C)(C)C)c2[nH]c(C(C)(C)C)c(CC(N)C(=O)NC(CCCN=C(N)N)C(=O)NCCc3ccccc3)c2c1;VGDFCPGJKLCUFL-VMPREFPWSA-N;631.91;5.04;52938733;;;CHEMBL1766258;GENER;EPAM;25;0;"<a href=https://www.ebi.ac.uk/chembl/assay_report_card/CHEMBL1769838/  target=_blank>CHEMBL1769838</a>";;;;;;;;;-5.28;;;;;;;;;;;;"Flaten GE, Kottra G, Stensen W, Isaksen G, Karstad R, Svendsen JS, Daniel H, Svenson J.: In vitro characterization of human peptide transporter hPEPT1 interactions and passive permeation studies of short cationic antimicrobial peptides. J Med Chem, Volume 54 (7), 2011";ChEMBL
MM473139;MM473139;NCCCCC(N)C(=O)NC(Cc1ccc(-c2ccccc2)cc1)C(=O)NC(CCCCN)C(N)=O;DAQIVHRRKUXAAO-HJOGWXRNSA-N;496.66;0.94;54580450;;;CHEMBL1766259;GENER;EPAM;25;0;"<a href=https://www.ebi.ac.uk/chembl/assay_report_card/CHEMBL1769838/  target=_blank>CHEMBL1769838</a>";;;;;;;;;-7.22;;;;;;;;;;;;"Flaten GE, Kottra G, Stensen W, Isaksen G, Karstad R, Svendsen JS, Daniel H, Svenson J.: In vitro characterization of human peptide transporter hPEPT1 interactions and passive permeation studies of short cationic antimicrobial peptides. J Med Chem, Volume 54 (7), 2011";ChEMBL
MM473140;MM473140;NC(=O)C(CCCN=C(N)N)NC(=O)C(NC(=O)C(N)CCCN=C(N)N)C(c1ccccc1)c1ccccc1;BSQXTFKJAMCRFM-ONTIZHBOSA-N;552.68;-0.87;52936538;;;CHEMBL1766260;GENER;EPAM;25;0;"<a href=https://www.ebi.ac.uk/chembl/assay_report_card/CHEMBL1769838/  target=_blank>CHEMBL1769838</a>";;;;;;;;;-6.08;;;;;;;;;;;;"Flaten GE, Kottra G, Stensen W, Isaksen G, Karstad R, Svendsen JS, Daniel H, Svenson J.: In vitro characterization of human peptide transporter hPEPT1 interactions and passive permeation studies of short cationic antimicrobial peptides. J Med Chem, Volume 54 (7), 2011";ChEMBL
MM473141;MM473141;NCCCCC(N)C(=O)NC(Cc1ccc(-c2ccccc2)cc1)C(=O)NC(CCCCN)C(=O)NCc1ccccc1;FSHXZOMORWHEPF-CHQNGUEUSA-N;586.78;2.77;52936626;;;CHEMBL1766261;GENER;EPAM;25;0;"<a href=https://www.ebi.ac.uk/chembl/assay_report_card/CHEMBL1769838/  target=_blank>CHEMBL1769838</a>";;;;;;;;;-6.59;;;;;;;;;;;;"Flaten GE, Kottra G, Stensen W, Isaksen G, Karstad R, Svendsen JS, Daniel H, Svenson J.: In vitro characterization of human peptide transporter hPEPT1 interactions and passive permeation studies of short cationic antimicrobial peptides. J Med Chem, Volume 54 (7), 2011";ChEMBL
MM473145;MM473145;NC(N)=Nc1ccc(CC(N)C(=O)NC(Cc2ccc(-c3ccccc3)cc2)C(=O)NC(Cc2ccc(N=C(N)N)cc2)C(=O)NCc2ccccc2)cc1;SGBUNANFYAIBCR-FSEITFBQSA-N;738.9;3.61;52936627;;;CHEMBL1766262;GENER;EPAM;25;0;"<a href=https://www.ebi.ac.uk/chembl/assay_report_card/CHEMBL1769838/  target=_blank>CHEMBL1769838</a>";;;;;;;;;-6.05;;;;;;;;;;;;"Flaten GE, Kottra G, Stensen W, Isaksen G, Karstad R, Svendsen JS, Daniel H, Svenson J.: In vitro characterization of human peptide transporter hPEPT1 interactions and passive permeation studies of short cationic antimicrobial peptides. J Med Chem, Volume 54 (7), 2011";ChEMBL
MM473150;MM473150;c1ccc(Cc2ncc3c(n2)CCNCC3)cc1;CZWQBSKNHUVZLI-UHFFFAOYSA-N;239.32;1.76;25070582;;;CHEMBL1770373;GENER;EPAM;25;0;"<a href=https://www.ebi.ac.uk/chembl/assay_report_card/CHEMBL1772824/  target=_blank>CHEMBL1772824</a>";;;;;;;;;-4.55;;;;;;;;;;;;"Andrews MD, Fish PV, Blagg J, Brabham TK, Brennan PE, Bridgeland A, Brown AD, Bungay PJ, Conlon KM, Edmunds NJ, af Forselles K, Gibbons CP, Green MP, Hanton G, Holbrook M, Jessiman AS, McIntosh K, McMurray G, Nichols CL, Root JA, Storer RI, Sutton MR, Ward RV, Westbrook D, Whitlock GA.: Pyrimido[4,5-d]azepines as potent and selective 5-HT2C receptor agonists: design, synthesis, and evaluation of PF-3246799 as a treatment for urinary incontinence. Bioorg Med Chem Lett, Volume 21 (9), 2011";ChEMBL
MM473153;MM473153;CN1CC=C(c2ccc(OC(F)(F)F)c(Nc3ncc4c(n3)-c3c(c(C(N)=O)nn3C)CC4)c2)CC1;DFKJNGVBNCASDM-UHFFFAOYSA-N;499.5;3.44;54585267;;;CHEMBL1774327;GENER;EPAM;25;0;"<a href=https://www.ebi.ac.uk/chembl/assay_report_card/CHEMBL1777615/  target=_blank>CHEMBL1777615</a>";;;;;;;;;-4.33;;;;;;;;;;;;"Beria I, Bossi RT, Brasca MG, Caruso M, Ceccarelli W, Fachin G, Fasolini M, Forte B, Fiorentini F, Pesenti E, Pezzetta D, Posteri H, Scolaro A, Re Depaolini S, Valsasina B.: NMS-P937, a 4,5-dihydro-1H-pyrazolo[4,3-h]quinazoline derivative as potent and selective Polo-like kinase 1 inhibitor. Bioorg Med Chem Lett, Volume 21 (10), 2011";ChEMBL
MM473154;MM473154;CN1CCC(c2ccc(OC(F)(F)F)c(Nc3ncc4c(n3)-c3c(c(C(N)=O)cn3C)CC4)c2)CC1;UPGSUYGNMGTTGT-UHFFFAOYSA-N;500.53;4.13;54582373;;;CHEMBL1774328;GENER;EPAM;25;0;"<a href=https://www.ebi.ac.uk/chembl/assay_report_card/CHEMBL1777615/  target=_blank>CHEMBL1777615</a>";;;;;;;;;-4.43;;;;;;;;;;;;"Beria I, Bossi RT, Brasca MG, Caruso M, Ceccarelli W, Fachin G, Fasolini M, Forte B, Fiorentini F, Pesenti E, Pezzetta D, Posteri H, Scolaro A, Re Depaolini S, Valsasina B.: NMS-P937, a 4,5-dihydro-1H-pyrazolo[4,3-h]quinazoline derivative as potent and selective Polo-like kinase 1 inhibitor. Bioorg Med Chem Lett, Volume 21 (10), 2011";ChEMBL
MM473151;MM473151;CN1CCN(c2ccc(OC(F)(F)F)c(Nc3ncc4c(n3)-c3c(c(C(N)=O)nn3CCN)CC4)c2)CC1;FNVWTCCOPVJPNB-UHFFFAOYSA-N;531.54;1.89;54587248;;;CHEMBL1774337;GENER;EPAM;25;0;"<a href=https://www.ebi.ac.uk/chembl/assay_report_card/CHEMBL1777615/  target=_blank>CHEMBL1777615</a>";;;;;;;;;-5.3;;;;;;;;;;;;"Beria I, Bossi RT, Brasca MG, Caruso M, Ceccarelli W, Fachin G, Fasolini M, Forte B, Fiorentini F, Pesenti E, Pezzetta D, Posteri H, Scolaro A, Re Depaolini S, Valsasina B.: NMS-P937, a 4,5-dihydro-1H-pyrazolo[4,3-h]quinazoline derivative as potent and selective Polo-like kinase 1 inhibitor. Bioorg Med Chem Lett, Volume 21 (10), 2011";ChEMBL
MM473152;MM473152;CN1CCN(c2ccc(OC(F)(F)F)c(Nc3ncc4c(n3)-c3c(c(C(N)=O)nn3CCCN)CC4)c2)CC1;YALDCBLTYPJUTR-UHFFFAOYSA-N;545.57;2.28;;;;;GENER;EPAM;25;0;"<a href=https://www.ebi.ac.uk/chembl/assay_report_card/CHEMBL1777615/  target=_blank>CHEMBL1777615</a>";;;;;;;;;-5.4;;;;;;;;;;;;"Beria I, Bossi RT, Brasca MG, Caruso M, Ceccarelli W, Fachin G, Fasolini M, Forte B, Fiorentini F, Pesenti E, Pezzetta D, Posteri H, Scolaro A, Re Depaolini S, Valsasina B.: NMS-P937, a 4,5-dihydro-1H-pyrazolo[4,3-h]quinazoline derivative as potent and selective Polo-like kinase 1 inhibitor. Bioorg Med Chem Lett, Volume 21 (10), 2011";ChEMBL
MM471568;MM471568;CC(Cn1ncc2c(Nc3cccc(Cl)c3)ncnc21)c1ccccc1;XFCBZNMZGGDLOU-UHFFFAOYSA-N;363.85;5.03;54585879;;;CHEMBL1775034;GENER;EPAM;25;0;"ph = 7.4, <a href=https://www.ebi.ac.uk/chembl/assay_report_card/CHEMBL1775364/  target=_blank>CHEMBL1775364</a>";;;;;;;;;-4.87;;;;;;;;;;;;"Radi M, Dreassi E, Brullo C, Crespan E, Tintori C, Bernardo V, Valoti M, Zamperini C, Daigl H, Musumeci F, Carraro F, Naldini A, Filippi I, Maga G, Schenone S, Botta M.: Design, synthesis, biological activity, and ADME properties of pyrazolo[3,4-d]pyrimidines active in hypoxic human leukemia cells: a lead optimization study. J Med Chem, Volume 54 (8), 2011";ChEMBL
MM471572;MM471572;ClC(Cn1ncc2c(Nc3ccccc3)nc(SCCN3CCOCC3)nc21)c1ccccc1;;495.05;4.97;52951665;;;CHEMBL1775035;GENER;EPAM;25;0;"ph = 7.4, <a href=https://www.ebi.ac.uk/chembl/assay_report_card/CHEMBL1775364/  target=_blank>CHEMBL1775364</a>";;;;;;;;;-5;;;;;;;;;;;;"Radi M, Dreassi E, Brullo C, Crespan E, Tintori C, Bernardo V, Valoti M, Zamperini C, Daigl H, Musumeci F, Carraro F, Naldini A, Filippi I, Maga G, Schenone S, Botta M.: Design, synthesis, biological activity, and ADME properties of pyrazolo[3,4-d]pyrimidines active in hypoxic human leukemia cells: a lead optimization study. J Med Chem, Volume 54 (8), 2011";ChEMBL
MM471572;MM471572;ClC(Cn1ncc2c(Nc3ccccc3)nc(SCCN3CCOCC3)nc21)c1ccccc1;;495.05;4.97;52951665;;;CHEMBL1775035;GENER;EPAM;25;0;"<a href=https://www.ebi.ac.uk/chembl/assay_report_card/CHEMBL3395763/  target=_blank>CHEMBL3395763</a>";;;;;;;;;-5;;;;;;;;;;;;"Tintori C, Fallacara AL, Radi M, Zamperini C, Dreassi E, Crespan E, Maga G, Schenone S, Musumeci F, Brullo C, Richters A, Gasparrini F, Angelucci A, Festuccia C, Delle Monache S, Rauh D, Botta M.: Combining X-ray crystallography and molecular modeling toward the optimization of pyrazolo[3,4-d]pyrimidines as potent c-Src inhibitors active in vivo against neuroblastoma. J Med Chem, Volume 58 (1), 2015";ChEMBL
MM471571;MM471571;Clc1cccc(Nc2nc(SCCN3CCOCC3)nc3c2cnn3CC(Cl)c2ccccc2)c1;;529.5;5.63;52951664;;;CHEMBL1775036;GENER;EPAM;25;0;"<a href=https://www.ebi.ac.uk/chembl/assay_report_card/CHEMBL2073061/  target=_blank>CHEMBL2073061</a>";;;;;;;;;-5.52;;;;;;;;;;;;"Radi M, Evensen L, Dreassi E, Zamperini C, Caporicci M, Falchi F, Musumeci F, Schenone S, Lorens JB, Botta M.: A combined targeted/phenotypic approach for the identification of new antiangiogenics agents active on a zebrafish model: from in silico screening to cyclodextrin formulation. Bioorg Med Chem Lett, Volume 22 (17), 2012";ChEMBL
MM471571;MM471571;Clc1cccc(Nc2nc(SCCN3CCOCC3)nc3c2cnn3CC(Cl)c2ccccc2)c1;;529.5;5.63;52951664;;;CHEMBL1775036;GENER;EPAM;25;0;"ph = 7.4, <a href=https://www.ebi.ac.uk/chembl/assay_report_card/CHEMBL1775364/  target=_blank>CHEMBL1775364</a>";;;;;;;;;-5.02;;;;;;;;;;;;"Radi M, Dreassi E, Brullo C, Crespan E, Tintori C, Bernardo V, Valoti M, Zamperini C, Daigl H, Musumeci F, Carraro F, Naldini A, Filippi I, Maga G, Schenone S, Botta M.: Design, synthesis, biological activity, and ADME properties of pyrazolo[3,4-d]pyrimidines active in hypoxic human leukemia cells: a lead optimization study. J Med Chem, Volume 54 (8), 2011";ChEMBL
MM471571;MM471571;Clc1cccc(Nc2nc(SCCN3CCOCC3)nc3c2cnn3CC(Cl)c2ccccc2)c1;;529.5;5.63;52951664;;;CHEMBL1775036;GENER;EPAM;25;0;"<a href=https://www.ebi.ac.uk/chembl/assay_report_card/CHEMBL3395763/  target=_blank>CHEMBL3395763</a>";;;;;;;;;-5.02;;;;;;;;;;;;"Tintori C, Fallacara AL, Radi M, Zamperini C, Dreassi E, Crespan E, Maga G, Schenone S, Musumeci F, Brullo C, Richters A, Gasparrini F, Angelucci A, Festuccia C, Delle Monache S, Rauh D, Botta M.: Combining X-ray crystallography and molecular modeling toward the optimization of pyrazolo[3,4-d]pyrimidines as potent c-Src inhibitors active in vivo against neuroblastoma. J Med Chem, Volume 58 (1), 2015";ChEMBL
MM471570;MM471570;ClC(Cn1ncc2c(NCc3ccccc3)nc(SCCN3CCOCC3)nc21)c1ccccc1;NBRVSSMSYRPVCE-UHFFFAOYSA-N;509.08;4.84;52951546;;;CHEMBL1775039;GENER;EPAM;25;0;"ph = 7.4, <a href=https://www.ebi.ac.uk/chembl/assay_report_card/CHEMBL1775364/  target=_blank>CHEMBL1775364</a>";;;;;;;;;-5.04;;;;;;;;;;;;"Radi M, Dreassi E, Brullo C, Crespan E, Tintori C, Bernardo V, Valoti M, Zamperini C, Daigl H, Musumeci F, Carraro F, Naldini A, Filippi I, Maga G, Schenone S, Botta M.: Design, synthesis, biological activity, and ADME properties of pyrazolo[3,4-d]pyrimidines active in hypoxic human leukemia cells: a lead optimization study. J Med Chem, Volume 54 (8), 2011";ChEMBL
MM471567;MM471567;Clc1cccc(Nc2nc(N3CCOCC3)nc3c2cnn3CC(Cl)c2ccccc2)c1;OTWMXTGUDMPDEI-UHFFFAOYSA-N;469.38;5.04;52951432;;;CHEMBL1775041;GENER;EPAM;25;0;"ph = 7.4, <a href=https://www.ebi.ac.uk/chembl/assay_report_card/CHEMBL1775364/  target=_blank>CHEMBL1775364</a>";;;;;;;;;-4.83;;;;;;;;;;;;"Radi M, Dreassi E, Brullo C, Crespan E, Tintori C, Bernardo V, Valoti M, Zamperini C, Daigl H, Musumeci F, Carraro F, Naldini A, Filippi I, Maga G, Schenone S, Botta M.: Design, synthesis, biological activity, and ADME properties of pyrazolo[3,4-d]pyrimidines active in hypoxic human leukemia cells: a lead optimization study. J Med Chem, Volume 54 (8), 2011";ChEMBL
MM471574;MM471574;OCCNc1nc(NCCc2ccccc2)c2cnn(C=Cc3ccccc3)c2n1;LAOYAWHHLUVMFT-QINSGFPZSA-N;400.49;3.51;52951544;;;CHEMBL1775042;GENER;EPAM;25;0;"ph = 7.4, <a href=https://www.ebi.ac.uk/chembl/assay_report_card/CHEMBL1775364/  target=_blank>CHEMBL1775364</a>";;;;;;;;;-5.59;;;;;;;;;;;;"Radi M, Dreassi E, Brullo C, Crespan E, Tintori C, Bernardo V, Valoti M, Zamperini C, Daigl H, Musumeci F, Carraro F, Naldini A, Filippi I, Maga G, Schenone S, Botta M.: Design, synthesis, biological activity, and ADME properties of pyrazolo[3,4-d]pyrimidines active in hypoxic human leukemia cells: a lead optimization study. J Med Chem, Volume 54 (8), 2011";ChEMBL
MM471573;MM471573;Clc1ccc(C(Cl)Cn2ncc3c(NCc4ccncc4)ncnc32)cc1;LHXWTIIFWARQLP-UHFFFAOYSA-N;399.29;4.47;;;;;GENER;EPAM;25;0;"ph = 7.4, <a href=https://www.ebi.ac.uk/chembl/assay_report_card/CHEMBL1775364/  target=_blank>CHEMBL1775364</a>";;;;;;;;;-5.27;;;;;;;;;;;;"Radi M, Dreassi E, Brullo C, Crespan E, Tintori C, Bernardo V, Valoti M, Zamperini C, Daigl H, Musumeci F, Carraro F, Naldini A, Filippi I, Maga G, Schenone S, Botta M.: Design, synthesis, biological activity, and ADME properties of pyrazolo[3,4-d]pyrimidines active in hypoxic human leukemia cells: a lead optimization study. J Med Chem, Volume 54 (8), 2011";ChEMBL
Daunorubicin;MM00473;COc1cccc2c1C(=O)c1c(O)c3c(c(O)c1C2=O)CC(O)(C(C)=O)CC3OC1CC(N)C(O)C(C)O1;STQGQHZAVUOBTE-UHFFFAOYSA-N;527.53;1.03;30323;DB00694;DM1;CHEMBL178;GENER;EPAM;25;0;"ph = 6.5, <a href=https://www.ebi.ac.uk/chembl/assay_report_card/CHEMBL1046150/  target=_blank>CHEMBL1046150</a>";;;;;;;;;-6.52;;;;;;;;;;;;"Tam KY, Avdeef A, Tsinman O, Sun N.: The permeation of amphoteric drugs through artificial membranes--an in combo absorption model based on paracellular and transmembrane permeability. J Med Chem, Volume 53 (1), 392-401, 2010";ChEMBL
MM471641;MM471641;CNC(=C[N+](=O)[O-])NCCSCc1ccc(CN(C)C)o1;;314.41;1.46;;;;CHEMBL1790041;GENER;EPAM;25;+1,-1;"<a href=https://www.ebi.ac.uk/chembl/assay_report_card/CHEMBL1176651/  target=_blank>CHEMBL1176651</a>";;;;;;;;;-5.26;;;;;;;;;;;;"Mahindroo N, Connelly MC, Punchihewa C, Yang L, Yan B, Fujii N.: Amide conjugates of ketoprofen and indole as inhibitors of Gli1-mediated transcription in the Hedgehog pathway. Bioorg Med Chem, Volume 18 (13), 2010";ChEMBL
MM471641;MM471641;CNC(=C[N+](=O)[O-])NCCSCc1ccc(CN(C)C)o1;;314.41;1.46;;;;CHEMBL1790041;GENER;EPAM;25;+1,-1;"ph = 7.4, <a href=https://www.ebi.ac.uk/chembl/assay_report_card/CHEMBL3374903/  target=_blank>CHEMBL3374903</a>";;;;;;;;;-6.85;;;;;;;;;;;;"Boland S, Alen J, Bourin A, Castermans K, Boumans N, Panitti L, Vanormelingen J, Leysen D, Defert O.: Novel Roflumilast analogs as soft PDE4 inhibitors. Bioorg Med Chem Lett, Volume 24 (18), 2014";ChEMBL
MM473117;MM473117;CN1CCN(c2ccc(OC(F)(F)F)c(Nc3ncc4c(n3)-c3c(c(C(N)=O)nn3CCF)CC4)c2)CC1;VPWDLLHGBJTELF-UHFFFAOYSA-N;534.52;2.9;56675140;;;CHEMBL1793892;GENER;EPAM;25;0;"<a href=https://www.ebi.ac.uk/chembl/assay_report_card/CHEMBL1272706/  target=_blank>CHEMBL1272706</a>";;;;;;;;;-4.3;;;;;;;;;;;;"Beria I, Valsasina B, Brasca MG, Ceccarelli W, Colombo M, Cribioli S, Fachin G, Ferguson RD, Fiorentini F, Gianellini LM, Giorgini ML, Moll JK, Posteri H, Pezzetta D, Roletto F, Sola F, Tesei D, Caruso M.: 4,5-Dihydro-1H-pyrazolo[4,3-h]quinazolines as potent and selective Polo-like kinase 1 (PLK1) inhibitors. Bioorg Med Chem Lett, Volume 20 (22), 2010";ChEMBL
MM473114;MM473114;C=Cn1nc(C(N)=O)c2c1-c1nc(Nc3cc(N4CCN(C)CC4)ccc3OC(F)(F)F)ncc1CC2;IWNBRVJHAXKTLL-UHFFFAOYSA-N;514.51;3.03;56657856;;;CHEMBL1793896;GENER;EPAM;25;0;"<a href=https://www.ebi.ac.uk/chembl/assay_report_card/CHEMBL1272706/  target=_blank>CHEMBL1272706</a>";;;;;;;;;-4.71;;;;;;;;;;;;"Beria I, Valsasina B, Brasca MG, Ceccarelli W, Colombo M, Cribioli S, Fachin G, Ferguson RD, Fiorentini F, Gianellini LM, Giorgini ML, Moll JK, Posteri H, Pezzetta D, Roletto F, Sola F, Tesei D, Caruso M.: 4,5-Dihydro-1H-pyrazolo[4,3-h]quinazolines as potent and selective Polo-like kinase 1 (PLK1) inhibitors. Bioorg Med Chem Lett, Volume 20 (22), 2010";ChEMBL
MM472342;MM472342;CCNCCNc1cc(-c2ccc(C(F)(F)F)cc2)c(C#N)c2nc3ccccc3n12;;423.44;5.07;53361220;;;CHEMBL1800559;GENER;EPAM;25;0;"ph = 4, <a href=https://www.ebi.ac.uk/chembl/assay_report_card/CHEMBL3996778/  target=_blank>CHEMBL3996778</a>";;;;;;;;;-6.9;;;;;;;;;;;;"Singh K, Okombo J, Brunschwig C, Ndubi F, Barnard L, Wilkinson C, Njogu PM, Njoroge M, Laing L, Machado M, Prudêncio M, Reader J, Botha M, Nondaba S, Birkholtz LM, Lauterbach S, Churchyard A, Coetzer TL, Burrows JN, Yeates C, Denti P, Wiesner L, Egan TJ, Wittlin S, Chibale K.: Antimalarial Pyrido[1,2-a]benzimidazoles: Lead Optimization, Parasite Life Cycle Stage Profile, Mechanistic Evaluation, Killing Kinetics, and in Vivo Oral Efficacy in a Mouse Model. J Med Chem, Volume 60 (4), 2017";ChEMBL
MM472342;MM472342;CCNCCNc1cc(-c2ccc(C(F)(F)F)cc2)c(C#N)c2nc3ccccc3n12;;423.44;5.07;53361220;;;CHEMBL1800559;GENER;EPAM;25;0;"ph = 6.5, <a href=https://www.ebi.ac.uk/chembl/assay_report_card/CHEMBL3996779/  target=_blank>CHEMBL3996779</a>";;;;;;;;;-4.3;;;;;;;;;;;;"Singh K, Okombo J, Brunschwig C, Ndubi F, Barnard L, Wilkinson C, Njogu PM, Njoroge M, Laing L, Machado M, Prudêncio M, Reader J, Botha M, Nondaba S, Birkholtz LM, Lauterbach S, Churchyard A, Coetzer TL, Burrows JN, Yeates C, Denti P, Wiesner L, Egan TJ, Wittlin S, Chibale K.: Antimalarial Pyrido[1,2-a]benzimidazoles: Lead Optimization, Parasite Life Cycle Stage Profile, Mechanistic Evaluation, Killing Kinetics, and in Vivo Oral Efficacy in a Mouse Model. J Med Chem, Volume 60 (4), 2017";ChEMBL
MM471802;MM471802;O=P(O)(O)CCc1ccccc1;BFDYSJCMAFSRDH-UHFFFAOYSA-N;186.15;1.41;78404;;;CHEMBL1801643;GENER;EPAM;25;0;"ph = 7.4, <a href=https://www.ebi.ac.uk/chembl/assay_report_card/CHEMBL3801192/  target=_blank>CHEMBL3801192</a>";;;;;;;;;-7.03;;;;;;;;;;;;"Lassalas P, Gay B, Lasfargeas C, James MJ, Tran V, Vijayendran KG, Brunden KR, Kozlowski MC, Thomas CJ, Smith AB, Huryn DM, Ballatore C.: Structure Property Relationships of Carboxylic Acid Isosteres. J Med Chem, Volume 59 (7), 2016";ChEMBL
MM472593;MM472593;COC(=O)c1ccc(-c2ccc(OC3OC(CO)C(O)C(O)C3O)c(Cl)c2)cc1;UYZZOIIIXKXPFB-JGLNRKDHSA-N;424.83;0.97;49856159;;;CHEMBL1802187;GENER;EPAM;25;0;"<a href=https://www.ebi.ac.uk/chembl/assay_report_card/CHEMBL1805241/  target=_blank>CHEMBL1805241</a>";;;;;;;;;-4.6;;;;;;;;;;;;"Klein T, Abgottspon D, Wittwer M, Rabbani S, Herold J, Jiang X, Kleeb S, Lüthi C, Scharenberg M, Bezençon J, Gubler E, Pang L, Smiesko M, Cutting B, Schwardt O, Ernst B.: FimH antagonists for the oral treatment of urinary tract infections: from design and synthesis to in vitro and in vivo evaluation. J Med Chem, Volume 53 (24), 2010";ChEMBL
MM472594;MM472594;COC(=O)c1ccc(-c2ccc(OC3OC(CO)C(O)C(O)C3O)cc2Cl)cc1;ZMJKGQUTBTUUJI-JGLNRKDHSA-N;424.83;0.97;49856160;;;CHEMBL1802188;GENER;EPAM;25;0;"<a href=https://www.ebi.ac.uk/chembl/assay_report_card/CHEMBL1805241/  target=_blank>CHEMBL1805241</a>";;;;;;;;;-4.72;;;;;;;;;;;;"Klein T, Abgottspon D, Wittwer M, Rabbani S, Herold J, Jiang X, Kleeb S, Lüthi C, Scharenberg M, Bezençon J, Gubler E, Pang L, Smiesko M, Cutting B, Schwardt O, Ernst B.: FimH antagonists for the oral treatment of urinary tract infections: from design and synthesis to in vitro and in vivo evaluation. J Med Chem, Volume 53 (24), 2010";ChEMBL
MM472595;MM472595;COC(=O)c1ccc(-c2cc(Cl)c(OC3OC(CO)C(O)C(O)C3O)c(Cl)c2)cc1;LGMPJLJIHTWSMR-GFAJBQDWSA-N;459.28;1.63;49856161;;;CHEMBL1802190;GENER;EPAM;25;0;"<a href=https://www.ebi.ac.uk/chembl/assay_report_card/CHEMBL1805241/  target=_blank>CHEMBL1805241</a>";;;;;;;;;-4.29;;;;;;;;;;;;"Klein T, Abgottspon D, Wittwer M, Rabbani S, Herold J, Jiang X, Kleeb S, Lüthi C, Scharenberg M, Bezençon J, Gubler E, Pang L, Smiesko M, Cutting B, Schwardt O, Ernst B.: FimH antagonists for the oral treatment of urinary tract infections: from design and synthesis to in vitro and in vivo evaluation. J Med Chem, Volume 53 (24), 2010";ChEMBL
MM472596;MM472596;COC(=O)c1ccc(-c2c(Cl)cc(OC3OC(CO)C(O)C(O)C3O)cc2Cl)cc1;PRHJCSVIPWVXNC-XMUPAAEVSA-N;459.28;1.63;49856162;;;CHEMBL1802191;GENER;EPAM;25;0;"<a href=https://www.ebi.ac.uk/chembl/assay_report_card/CHEMBL1805241/  target=_blank>CHEMBL1805241</a>";;;;;;;;;-4.4;;;;;;;;;;;;"Klein T, Abgottspon D, Wittwer M, Rabbani S, Herold J, Jiang X, Kleeb S, Lüthi C, Scharenberg M, Bezençon J, Gubler E, Pang L, Smiesko M, Cutting B, Schwardt O, Ernst B.: FimH antagonists for the oral treatment of urinary tract infections: from design and synthesis to in vitro and in vivo evaluation. J Med Chem, Volume 53 (24), 2010";ChEMBL
MM472598;MM472598;COC(=O)c1ccc(-c2ccc(Cl)c(OC3OC(CO)C(O)C(O)C3O)c2)cc1;WDDBPKRIAIETTE-JGLNRKDHSA-N;424.83;0.97;49856356;;;CHEMBL1802194;GENER;EPAM;25;0;"<a href=https://www.ebi.ac.uk/chembl/assay_report_card/CHEMBL1805241/  target=_blank>CHEMBL1805241</a>";;;;;;;;;-4.69;;;;;;;;;;;;"Klein T, Abgottspon D, Wittwer M, Rabbani S, Herold J, Jiang X, Kleeb S, Lüthi C, Scharenberg M, Bezençon J, Gubler E, Pang L, Smiesko M, Cutting B, Schwardt O, Ernst B.: FimH antagonists for the oral treatment of urinary tract infections: from design and synthesis to in vitro and in vivo evaluation. J Med Chem, Volume 53 (24), 2010";ChEMBL
MM471594;MM471594;O=c1c2c([nH]c3ccc(Cl)cc13)CCCC2;STQOKXJKHUNULH-UHFFFAOYSA-N;233.7;3.06;13999807;;;CHEMBL1802644;GENER;EPAM;25;0;"ph = 7.4, <a href=https://www.ebi.ac.uk/chembl/assay_report_card/CHEMBL1804799/  target=_blank>CHEMBL1804799</a>";;;;;;;;;-4.24;;;;;;;;;;;;"Cross RM, Maignan JR, Mutka TS, Luong L, Sargent J, Kyle DE, Manetsch R.: Optimization of 1,2,3,4-tetrahydroacridin-9(10H)-ones as antimalarials utilizing structure-activity and structure-property relationships. J Med Chem, Volume 54 (13), 2011";ChEMBL
MM471576;MM471576;COc1ccc2c(=O)c3c([nH]c2c1)CCC3;XRHIRCKOKLQWFR-UHFFFAOYSA-N;215.25;2.03;53362912;;;CHEMBL1802874;GENER;EPAM;25;0;"ph = 7.4, <a href=https://www.ebi.ac.uk/chembl/assay_report_card/CHEMBL1804799/  target=_blank>CHEMBL1804799</a>";;;;;;;;;-4.96;;;;;;;;;;;;"Cross RM, Maignan JR, Mutka TS, Luong L, Sargent J, Kyle DE, Manetsch R.: Optimization of 1,2,3,4-tetrahydroacridin-9(10H)-ones as antimalarials utilizing structure-activity and structure-property relationships. J Med Chem, Volume 54 (13), 2011";ChEMBL
MM471577;MM471577;COc1ccc2c(=O)c3c([nH]c2c1)CCCC3;LSVXWLDSOHBOOX-UHFFFAOYSA-N;229.28;2.42;56676627;;;CHEMBL1802875;GENER;EPAM;25;0;"ph = 7.4, <a href=https://www.ebi.ac.uk/chembl/assay_report_card/CHEMBL1804799/  target=_blank>CHEMBL1804799</a>";;;;;;;;;-4.6;;;;;;;;;;;;"Cross RM, Maignan JR, Mutka TS, Luong L, Sargent J, Kyle DE, Manetsch R.: Optimization of 1,2,3,4-tetrahydroacridin-9(10H)-ones as antimalarials utilizing structure-activity and structure-property relationships. J Med Chem, Volume 54 (13), 2011";ChEMBL
MM471578;MM471578;COc1ccc2c(=O)c3c([nH]c2c1)CCCCC3;QXUXBOSZPNMVDU-UHFFFAOYSA-N;243.31;2.81;53362855;;;CHEMBL1802876;GENER;EPAM;25;0;"ph = 7.4, <a href=https://www.ebi.ac.uk/chembl/assay_report_card/CHEMBL1804799/  target=_blank>CHEMBL1804799</a>";;;;;;;;;-4.41;;;;;;;;;;;;"Cross RM, Maignan JR, Mutka TS, Luong L, Sargent J, Kyle DE, Manetsch R.: Optimization of 1,2,3,4-tetrahydroacridin-9(10H)-ones as antimalarials utilizing structure-activity and structure-property relationships. J Med Chem, Volume 54 (13), 2011";ChEMBL
MM471579;MM471579;COc1ccc2c(=O)c3c([nH]c2c1)CCCCCC3;YXOCXGPUHWAIKT-UHFFFAOYSA-N;257.33;3.2;53362916;;;CHEMBL1802877;GENER;EPAM;25;0;"ph = 7.4, <a href=https://www.ebi.ac.uk/chembl/assay_report_card/CHEMBL1804799/  target=_blank>CHEMBL1804799</a>";;;;;;;;;-4.14;;;;;;;;;;;;"Cross RM, Maignan JR, Mutka TS, Luong L, Sargent J, Kyle DE, Manetsch R.: Optimization of 1,2,3,4-tetrahydroacridin-9(10H)-ones as antimalarials utilizing structure-activity and structure-property relationships. J Med Chem, Volume 54 (13), 2011";ChEMBL
MM471580;MM471580;O=c1c2c([nH]c3cc(C(F)(F)F)ccc13)CCC2;WFMYOWVLTUNEOK-UHFFFAOYSA-N;253.22;3.04;53363018;;;CHEMBL1802878;GENER;EPAM;25;0;"ph = 7.4, <a href=https://www.ebi.ac.uk/chembl/assay_report_card/CHEMBL1804799/  target=_blank>CHEMBL1804799</a>";;;;;;;;;-4.22;;;;;;;;;;;;"Cross RM, Maignan JR, Mutka TS, Luong L, Sargent J, Kyle DE, Manetsch R.: Optimization of 1,2,3,4-tetrahydroacridin-9(10H)-ones as antimalarials utilizing structure-activity and structure-property relationships. J Med Chem, Volume 54 (13), 2011";ChEMBL
MM471581;MM471581;O=c1c2c([nH]c3cc(C(F)(F)F)ccc13)CCCC2;HMGHQUBMNPHEHV-UHFFFAOYSA-N;267.25;3.43;53363019;;;CHEMBL1802879;GENER;EPAM;25;0;"ph = 7.4, <a href=https://www.ebi.ac.uk/chembl/assay_report_card/CHEMBL1804799/  target=_blank>CHEMBL1804799</a>";;;;;;;;;-4.14;;;;;;;;;;;;"Cross RM, Maignan JR, Mutka TS, Luong L, Sargent J, Kyle DE, Manetsch R.: Optimization of 1,2,3,4-tetrahydroacridin-9(10H)-ones as antimalarials utilizing structure-activity and structure-property relationships. J Med Chem, Volume 54 (13), 2011";ChEMBL
MM471582;MM471582;O=c1c2c([nH]c3cc(C(F)(F)F)ccc13)CCCCC2;WTAYGPWOLMJSHX-UHFFFAOYSA-N;281.28;3.82;29270;;;CHEMBL1802880;GENER;EPAM;25;0;"ph = 7.4, <a href=https://www.ebi.ac.uk/chembl/assay_report_card/CHEMBL1804799/  target=_blank>CHEMBL1804799</a>";;;;;;;;;-3.88;;;;;;;;;;;;"Cross RM, Maignan JR, Mutka TS, Luong L, Sargent J, Kyle DE, Manetsch R.: Optimization of 1,2,3,4-tetrahydroacridin-9(10H)-ones as antimalarials utilizing structure-activity and structure-property relationships. J Med Chem, Volume 54 (13), 2011";ChEMBL
MM471583;MM471583;O=c1c2c([nH]c3cc(C(F)(F)F)ccc13)CCCCCC2;LOHSFVWYARXTIS-UHFFFAOYSA-N;295.3;4.21;;;;;GENER;EPAM;25;0;"ph = 7.4, <a href=https://www.ebi.ac.uk/chembl/assay_report_card/CHEMBL1804799/  target=_blank>CHEMBL1804799</a>";;;;;;;;;-3.6;;;;;;;;;;;;"Cross RM, Maignan JR, Mutka TS, Luong L, Sargent J, Kyle DE, Manetsch R.: Optimization of 1,2,3,4-tetrahydroacridin-9(10H)-ones as antimalarials utilizing structure-activity and structure-property relationships. J Med Chem, Volume 54 (13), 2011";ChEMBL
MM471585;MM471585;COc1cccc2c(=O)c3c([nH]c12)CCCC3;DRTNPMJEVFCBHD-UHFFFAOYSA-N;229.28;2.42;56683290;;;CHEMBL1802882;GENER;EPAM;25;0;"ph = 7.4, <a href=https://www.ebi.ac.uk/chembl/assay_report_card/CHEMBL1804799/  target=_blank>CHEMBL1804799</a>";;;;;;;;;-4.8;;;;;;;;;;;;"Cross RM, Maignan JR, Mutka TS, Luong L, Sargent J, Kyle DE, Manetsch R.: Optimization of 1,2,3,4-tetrahydroacridin-9(10H)-ones as antimalarials utilizing structure-activity and structure-property relationships. J Med Chem, Volume 54 (13), 2011";ChEMBL
MM471586;MM471586;COc1ccc2[nH]c3c(c(=O)c2c1)CCCC3;NAKOPQZYTOAWQJ-UHFFFAOYSA-N;229.28;2.42;349164;;;CHEMBL1802883;GENER;EPAM;25;0;"ph = 7.4, <a href=https://www.ebi.ac.uk/chembl/assay_report_card/CHEMBL1804799/  target=_blank>CHEMBL1804799</a>";;;;;;;;;-4.8;;;;;;;;;;;;"Cross RM, Maignan JR, Mutka TS, Luong L, Sargent J, Kyle DE, Manetsch R.: Optimization of 1,2,3,4-tetrahydroacridin-9(10H)-ones as antimalarials utilizing structure-activity and structure-property relationships. J Med Chem, Volume 54 (13), 2011";ChEMBL
MM471587;MM471587;COc1cccc2[nH]c3c(c(=O)c12)CCCC3;YCJXMWQCDPTWNB-UHFFFAOYSA-N;229.28;2.42;53363021;;;CHEMBL1802884;GENER;EPAM;25;0;"ph = 7.4, <a href=https://www.ebi.ac.uk/chembl/assay_report_card/CHEMBL1804799/  target=_blank>CHEMBL1804799</a>";;;;;;;;;-4.77;;;;;;;;;;;;"Cross RM, Maignan JR, Mutka TS, Luong L, Sargent J, Kyle DE, Manetsch R.: Optimization of 1,2,3,4-tetrahydroacridin-9(10H)-ones as antimalarials utilizing structure-activity and structure-property relationships. J Med Chem, Volume 54 (13), 2011";ChEMBL
MM471588;MM471588;Cc1cccc2c(=O)c3c([nH]c12)CCCC3;BVXFTEWGRDIUJD-UHFFFAOYSA-N;213.28;2.72;56669808;;;CHEMBL1802885;GENER;EPAM;25;0;"ph = 7.4, <a href=https://www.ebi.ac.uk/chembl/assay_report_card/CHEMBL1804799/  target=_blank>CHEMBL1804799</a>";;;;;;;;;-4.59;;;;;;;;;;;;"Cross RM, Maignan JR, Mutka TS, Luong L, Sargent J, Kyle DE, Manetsch R.: Optimization of 1,2,3,4-tetrahydroacridin-9(10H)-ones as antimalarials utilizing structure-activity and structure-property relationships. J Med Chem, Volume 54 (13), 2011";ChEMBL
MM471589;MM471589;Cc1ccc2c(=O)c3c([nH]c2c1)CCCC3;FWDFPYDVWVFYKM-UHFFFAOYSA-N;213.28;2.72;56669809;;;CHEMBL1802886;GENER;EPAM;25;0;"ph = 7.4, <a href=https://www.ebi.ac.uk/chembl/assay_report_card/CHEMBL1804799/  target=_blank>CHEMBL1804799</a>";;;;;;;;;-4.57;;;;;;;;;;;;"Cross RM, Maignan JR, Mutka TS, Luong L, Sargent J, Kyle DE, Manetsch R.: Optimization of 1,2,3,4-tetrahydroacridin-9(10H)-ones as antimalarials utilizing structure-activity and structure-property relationships. J Med Chem, Volume 54 (13), 2011";ChEMBL
MM471590;MM471590;Cc1ccc2[nH]c3c(c(=O)c2c1)CCCC3;FFRHGRTZMLXUMO-UHFFFAOYSA-N;213.28;2.72;14148570;;;CHEMBL1802887;GENER;EPAM;25;0;"ph = 7.4, <a href=https://www.ebi.ac.uk/chembl/assay_report_card/CHEMBL1804799/  target=_blank>CHEMBL1804799</a>";;;;;;;;;-4.72;;;;;;;;;;;;"Cross RM, Maignan JR, Mutka TS, Luong L, Sargent J, Kyle DE, Manetsch R.: Optimization of 1,2,3,4-tetrahydroacridin-9(10H)-ones as antimalarials utilizing structure-activity and structure-property relationships. J Med Chem, Volume 54 (13), 2011";ChEMBL
MM471591;MM471591;Cc1cccc2[nH]c3c(c(=O)c12)CCCC3;IPPASRLNICEBAG-UHFFFAOYSA-N;213.28;2.72;53363022;;;CHEMBL1802888;GENER;EPAM;25;0;"ph = 7.4, <a href=https://www.ebi.ac.uk/chembl/assay_report_card/CHEMBL1804799/  target=_blank>CHEMBL1804799</a>";;;;;;;;;-4.06;;;;;;;;;;;;"Cross RM, Maignan JR, Mutka TS, Luong L, Sargent J, Kyle DE, Manetsch R.: Optimization of 1,2,3,4-tetrahydroacridin-9(10H)-ones as antimalarials utilizing structure-activity and structure-property relationships. J Med Chem, Volume 54 (13), 2011";ChEMBL
MM471592;MM471592;O=c1c2c([nH]c3c(Cl)cccc13)CCCC2;ZRAIXTUKQRXQBM-UHFFFAOYSA-N;233.7;3.06;56662921;;;CHEMBL1802889;GENER;EPAM;25;0;"ph = 7.4, <a href=https://www.ebi.ac.uk/chembl/assay_report_card/CHEMBL1804799/  target=_blank>CHEMBL1804799</a>";;;;;;;;;-3.97;;;;;;;;;;;;"Cross RM, Maignan JR, Mutka TS, Luong L, Sargent J, Kyle DE, Manetsch R.: Optimization of 1,2,3,4-tetrahydroacridin-9(10H)-ones as antimalarials utilizing structure-activity and structure-property relationships. J Med Chem, Volume 54 (13), 2011";ChEMBL
MM471511;MM471511;CCN(CC)CCCC(C)Nc1ccnc2cc(Oc3ccccc3)ccc12;;377.53;5.95;224742;;;CHEMBL180671;GENER;EPAM;25;0;"ph = 5, <a href=https://www.ebi.ac.uk/chembl/assay_report_card/CHEMBL1103811/  target=_blank>CHEMBL1103811</a>";;;;;;;;;-5.4;;;;;;;;;;;;"Ray S, Madrid PB, Catz P, LeValley SE, Furniss MJ, Rausch LL, Guy RK, DeRisi JL, Iyer LV, Green CE, Mirsalis JC.: Development of a new generation of 4-aminoquinoline antimalarial compounds using predictive pharmacokinetic and toxicology models. J Med Chem, Volume 53 (9), 2010";ChEMBL
MM471511;MM471511;CCN(CC)CCCC(C)Nc1ccnc2cc(Oc3ccccc3)ccc12;;377.53;5.95;224742;;;CHEMBL180671;GENER;EPAM;25;0;"ph = 6.2, <a href=https://www.ebi.ac.uk/chembl/assay_report_card/CHEMBL1103810/  target=_blank>CHEMBL1103810</a>";;;;;;;;;-3.9;;;;;;;;;;;;"Ray S, Madrid PB, Catz P, LeValley SE, Furniss MJ, Rausch LL, Guy RK, DeRisi JL, Iyer LV, Green CE, Mirsalis JC.: Development of a new generation of 4-aminoquinoline antimalarial compounds using predictive pharmacokinetic and toxicology models. J Med Chem, Volume 53 (9), 2010";ChEMBL
MM471511;MM471511;CCN(CC)CCCC(C)Nc1ccnc2cc(Oc3ccccc3)ccc12;;377.53;5.95;224742;;;CHEMBL180671;GENER;EPAM;25;0;"ph = 7.4, <a href=https://www.ebi.ac.uk/chembl/assay_report_card/CHEMBL1103809/  target=_blank>CHEMBL1103809</a>";;;;;;;;;-2.73;;;;;;;;;;;;"Ray S, Madrid PB, Catz P, LeValley SE, Furniss MJ, Rausch LL, Guy RK, DeRisi JL, Iyer LV, Green CE, Mirsalis JC.: Development of a new generation of 4-aminoquinoline antimalarial compounds using predictive pharmacokinetic and toxicology models. J Med Chem, Volume 53 (9), 2010";ChEMBL
MM471596;MM471596;O=C(NCC1CCCN1)c1ccc(-c2cnc3ccc(NCC4CC4)nn23)cc1F;XYEYHGKCPQJHPX-INIZCTEOSA-N;408.48;2.84;56663214;;;CHEMBL1807608;GENER;EPAM;25;0;"ph = 7.4, <a href=https://www.ebi.ac.uk/chembl/assay_report_card/CHEMBL1809899/  target=_blank>CHEMBL1809899</a>";;;;;;;;;-4.72;;;;;;;;;;;;"Shimizu H, Yamasaki T, Yoneda Y, Muro F, Hamada T, Yasukochi T, Tanaka S, Toki T, Yokoyama M, Morishita K, Iimura S.: Discovery of imidazo[1,2-b]pyridazines as IKKβ inhibitors. Part 3: exploration of effective compounds in arthritis models. Bioorg Med Chem Lett, Volume 21 (15), 2011";ChEMBL
MM471597;MM471597;O=C(NCC1CCCN1)c1ccc(-c2cnc3ccc(NCC4CC4)nn23)cc1Cl;PLRJTOPQRBZHFY-INIZCTEOSA-N;424.94;3.35;56673590;;;CHEMBL1807610;GENER;EPAM;25;0;"ph = 7.4, <a href=https://www.ebi.ac.uk/chembl/assay_report_card/CHEMBL1809899/  target=_blank>CHEMBL1809899</a>";;;;;;;;;-4.85;;;;;;;;;;;;"Shimizu H, Yamasaki T, Yoneda Y, Muro F, Hamada T, Yasukochi T, Tanaka S, Toki T, Yokoyama M, Morishita K, Iimura S.: Discovery of imidazo[1,2-b]pyridazines as IKKβ inhibitors. Part 3: exploration of effective compounds in arthritis models. Bioorg Med Chem Lett, Volume 21 (15), 2011";ChEMBL
MM471598;MM471598;CN(C)CCNC(=O)c1ccc(-c2cnc3ccc(NCC4CC4)nn23)nc1;LTSGHDUZMWKTJB-UHFFFAOYSA-N;379.47;1.9;56673591;;;CHEMBL1807611;GENER;EPAM;25;0;"ph = 7.4, <a href=https://www.ebi.ac.uk/chembl/assay_report_card/CHEMBL1809899/  target=_blank>CHEMBL1809899</a>";;;;;;;;;-4.85;;;;;;;;;;;;"Shimizu H, Yamasaki T, Yoneda Y, Muro F, Hamada T, Yasukochi T, Tanaka S, Toki T, Yokoyama M, Morishita K, Iimura S.: Discovery of imidazo[1,2-b]pyridazines as IKKβ inhibitors. Part 3: exploration of effective compounds in arthritis models. Bioorg Med Chem Lett, Volume 21 (15), 2011";ChEMBL
MM471599;MM471599;O=C(NCCN1CCCC1)c1ccc(-c2cnc3ccc(NCC4CC4)nn23)nc1;RTPQNRJJDVLYPV-UHFFFAOYSA-N;405.51;2.44;56663215;;;CHEMBL1807612;GENER;EPAM;25;0;"ph = 7.4, <a href=https://www.ebi.ac.uk/chembl/assay_report_card/CHEMBL1809899/  target=_blank>CHEMBL1809899</a>";;;;;;;;;-4.96;;;;;;;;;;;;"Shimizu H, Yamasaki T, Yoneda Y, Muro F, Hamada T, Yasukochi T, Tanaka S, Toki T, Yokoyama M, Morishita K, Iimura S.: Discovery of imidazo[1,2-b]pyridazines as IKKβ inhibitors. Part 3: exploration of effective compounds in arthritis models. Bioorg Med Chem Lett, Volume 21 (15), 2011";ChEMBL
MM471600;MM471600;CSCCCNc1ccc2ncc(-c3ccc(C(=O)NC[C@@H]4C[C@@H](F)CN4)c(F)c3)n2n1;IAHJEADTZSOQLR-CVEARBPZSA-N;460.55;3.13;;;;;GENER;EPAM;25;0;"ph = 7.4, <a href=https://www.ebi.ac.uk/chembl/assay_report_card/CHEMBL1809899/  target=_blank>CHEMBL1809899</a>";;;;;;;;;-4.4;;;;;;;;;;;;"Shimizu H, Yamasaki T, Yoneda Y, Muro F, Hamada T, Yasukochi T, Tanaka S, Toki T, Yokoyama M, Morishita K, Iimura S.: Discovery of imidazo[1,2-b]pyridazines as IKKβ inhibitors. Part 3: exploration of effective compounds in arthritis models. Bioorg Med Chem Lett, Volume 21 (15), 2011";ChEMBL
MM471601;MM471601;O=C(NCC1CC(F)CN1)c1ccc(-c2cnc3ccc(NCCCF)nn23)cc1F;WCGKVUGNISNLJH-CABCVRRESA-N;432.45;2.74;56676914;;;CHEMBL1807622;GENER;EPAM;25;0;"ph = 7.4, <a href=https://www.ebi.ac.uk/chembl/assay_report_card/CHEMBL1809899/  target=_blank>CHEMBL1809899</a>";;;;;;;;;-4.48;;;;;;;;;;;;"Shimizu H, Yamasaki T, Yoneda Y, Muro F, Hamada T, Yasukochi T, Tanaka S, Toki T, Yokoyama M, Morishita K, Iimura S.: Discovery of imidazo[1,2-b]pyridazines as IKKβ inhibitors. Part 3: exploration of effective compounds in arthritis models. Bioorg Med Chem Lett, Volume 21 (15), 2011";ChEMBL
MM471602;MM471602;O=C(NCC1CC(F)CN1)c1ccc(-c2cnc3ccc(NCCCCCF)nn23)cc1F;HAADVGFSSKITLQ-SJORKVTESA-N;460.5;3.52;56673592;;;CHEMBL1807624;GENER;EPAM;25;0;"ph = 7.4, <a href=https://www.ebi.ac.uk/chembl/assay_report_card/CHEMBL1809899/  target=_blank>CHEMBL1809899</a>";;;;;;;;;-4.43;;;;;;;;;;;;"Shimizu H, Yamasaki T, Yoneda Y, Muro F, Hamada T, Yasukochi T, Tanaka S, Toki T, Yokoyama M, Morishita K, Iimura S.: Discovery of imidazo[1,2-b]pyridazines as IKKβ inhibitors. Part 3: exploration of effective compounds in arthritis models. Bioorg Med Chem Lett, Volume 21 (15), 2011";ChEMBL
MM471603;MM471603;Cc1cc(-c2cccc(Cl)c2)ncc1C1CCCN1C(=O)c1nccs1;GCSDBTCZHROCLZ-GOSISDBHSA-N;383.9;5.14;53380924;;;CHEMBL1808901;GENER;EPAM;25;0;"ph = 7.4, <a href=https://www.ebi.ac.uk/chembl/assay_report_card/CHEMBL1810108/  target=_blank>CHEMBL1810108</a>";;;;;;;;;-4.82;;;;;;;;;;;;"Weiss JM, Jimenez HN, Li G, April M, Uberti MA, Bacolod MD, Brodbeck RM, Doller D.: 6-Aryl-3-pyrrolidinylpyridines as mGlu5 receptor negative allosteric modulators. Bioorg Med Chem Lett, Volume 21 (16), 2011";ChEMBL
MM473156;MM473156;CC(C)CNCc1ccc(-c2ccccc2S(=O)(=O)N2CCCC2)cc1;OWVIKBRKPCTDEP-UHFFFAOYSA-N;372.53;3.88;44599828;;;CHEMBL1818341;GENER;EPAM;25;0;"<a href=https://www.ebi.ac.uk/chembl/assay_report_card/CHEMBL1820287/  target=_blank>CHEMBL1820287</a>";;;;;;;;;-4.72;;;;;;;;;;;;"Verhoest PR, Basak AS, Parikh V, Hayward M, Kauffman GW, Paradis V, McHardy SF, McLean S, Grimwood S, Schmidt AW, Vanase-Frawley M, Freeman J, Van Deusen J, Cox L, Wong D, Liras S.: Design and discovery of a selective small molecule κ opioid antagonist (2-methyl-N-((2'-(pyrrolidin-1-ylsulfonyl)biphenyl-4-yl)methyl)propan-1-amine, PF-4455242). J Med Chem, Volume 54 (16), 2011";ChEMBL
9-(1,3-dihydroxy-propoxymethane)guanine;MM00367;Nc1nc(O)c2ncn(COC(CO)CO)c2n1;IRSCQMHQWWYFCW-UHFFFAOYSA-N;255.23;-1.56;3454;DB01004;GA2;CHEMBL182;GENER;EPAM;25;0;"ph = 6.5, <a href=https://www.ebi.ac.uk/chembl/assay_report_card/CHEMBL1046150/  target=_blank>CHEMBL1046150</a>";;;;;;;;;-6.15;;;;;;;;;;;;"Tam KY, Avdeef A, Tsinman O, Sun N.: The permeation of amphoteric drugs through artificial membranes--an in combo absorption model based on paracellular and transmembrane permeability. J Med Chem, Volume 53 (1), 392-401, 2010";ChEMBL
MM473158;MM473158;CCCc1cc(-c2nc(-c3ccc(NC(C)C)cc3)cs2)ccn1;GOKVUOGCZQKXQS-UHFFFAOYSA-N;337.49;5.64;;;;;GENER;EPAM;25;0;"<a href=https://www.ebi.ac.uk/chembl/assay_report_card/CHEMBL1827449/  target=_blank>CHEMBL1827449</a>";;;;;;;;;-5.98;;;;;;;;;;;;"Kamisuki S, Shirakawa T, Kugimiya A, Abu-Elheiga L, Choo HY, Yamada K, Shimogawa H, Wakil SJ, Uesugi M.: Synthesis and evaluation of diarylthiazole derivatives that inhibit activation of sterol regulatory element-binding proteins. J Med Chem, Volume 54 (13), 2011";ChEMBL
MM473159;MM473159;CCCc1cc(-c2nc(-c3ccc(NS(C)(=O)=O)cc3)cs2)ccn1;OWAXXHRQPWGNTG-UHFFFAOYSA-N;373.5;4.2;;;;;GENER;EPAM;25;0;"<a href=https://www.ebi.ac.uk/chembl/assay_report_card/CHEMBL1827449/  target=_blank>CHEMBL1827449</a>";;;;;;;;;-4.82;;;;;;;;;;;;"Kamisuki S, Shirakawa T, Kugimiya A, Abu-Elheiga L, Choo HY, Yamada K, Shimogawa H, Wakil SJ, Uesugi M.: Synthesis and evaluation of diarylthiazole derivatives that inhibit activation of sterol regulatory element-binding proteins. J Med Chem, Volume 54 (13), 2011";ChEMBL
MM471604;MM471604;CN1CC(c2c[nH]c3cc(-n4ccc(OCc5ccccc5)cc4=O)ccc23)C1;;385.47;3.93;46869326;;;CHEMBL1830042;GENER;EPAM;25;0;"<a href=https://www.ebi.ac.uk/chembl/assay_report_card/CHEMBL1833199/  target=_blank>CHEMBL1833199</a>";;;;;;;;;-4.79;;;;;;;;;;;;"Lu K, Jiang Y, Chen B, Eldemenky EM, Ma G, Packiarajan M, Chandrasena G, White AD, Jones KA, Li B, Hong SP.: Strategies to lower the Pgp efflux liability in a series of potent indole azetidine MCHR1 antagonists. Bioorg Med Chem Lett, Volume 21 (18), 2011";ChEMBL
MM471604;MM471604;CN1CC(c2c[nH]c3cc(-n4ccc(OCc5ccccc5)cc4=O)ccc23)C1;;385.47;3.93;46869326;;;CHEMBL1830042;GENER;EPAM;25;0;"ph = 7.4, <a href=https://www.ebi.ac.uk/chembl/assay_report_card/CHEMBL1833198/  target=_blank>CHEMBL1833198</a>";;;;;;;;;-5.31;;;;;;;;;;;;"Lu K, Jiang Y, Chen B, Eldemenky EM, Ma G, Packiarajan M, Chandrasena G, White AD, Jones KA, Li B, Hong SP.: Strategies to lower the Pgp efflux liability in a series of potent indole azetidine MCHR1 antagonists. Bioorg Med Chem Lett, Volume 21 (18), 2011";ChEMBL
MM473170;MM473170;c1ccc(Nc2nc3c(s2)CCc2[nH]ncc2-3)nc1;MIOXQGMSPSEKCA-UHFFFAOYSA-N;269.33;2.77;46700737;;;CHEMBL1830698;GENER;EPAM;25;0;"<a href=https://www.ebi.ac.uk/chembl/assay_report_card/CHEMBL1831602/  target=_blank>CHEMBL1831602</a>";;;;;;;;;-5.52;;;;;;;;;;;;"Hong SP, Liu KG, Ma G, Sabio M, Uberti MA, Bacolod MD, Peterson J, Zou ZZ, Robichaud AJ, Doller D.: Tricyclic thiazolopyrazole derivatives as metabotropic glutamate receptor 4 positive allosteric modulators. J Med Chem, Volume 54 (14), 2011";ChEMBL
MM473169;MM473169;c1cncc(Nc2nc3c(s2)CCc2[nH]ncc2-3)c1;YLMCUXMPYWJRLT-UHFFFAOYSA-N;269.33;2.77;53387559;;;CHEMBL1830699;GENER;EPAM;25;0;"<a href=https://www.ebi.ac.uk/chembl/assay_report_card/CHEMBL1831602/  target=_blank>CHEMBL1831602</a>";;;;;;;;;-4.73;;;;;;;;;;;;"Hong SP, Liu KG, Ma G, Sabio M, Uberti MA, Bacolod MD, Peterson J, Zou ZZ, Robichaud AJ, Doller D.: Tricyclic thiazolopyrazole derivatives as metabotropic glutamate receptor 4 positive allosteric modulators. J Med Chem, Volume 54 (14), 2011";ChEMBL
MM473168;MM473168;c1cc(Nc2nc3c(s2)CCc2[nH]ncc2-3)ccn1;FWQQWRMZPAVZRS-UHFFFAOYSA-N;269.33;2.77;53387560;;;CHEMBL1830700;GENER;EPAM;25;0;"<a href=https://www.ebi.ac.uk/chembl/assay_report_card/CHEMBL1831602/  target=_blank>CHEMBL1831602</a>";;;;;;;;;-5.6;;;;;;;;;;;;"Hong SP, Liu KG, Ma G, Sabio M, Uberti MA, Bacolod MD, Peterson J, Zou ZZ, Robichaud AJ, Doller D.: Tricyclic thiazolopyrazole derivatives as metabotropic glutamate receptor 4 positive allosteric modulators. J Med Chem, Volume 54 (14), 2011";ChEMBL
MM473165;MM473165;c1cnc(Nc2nc3c(s2)CCc2[nH]ncc2-3)nc1;DYTOOFWBTYQIBR-UHFFFAOYSA-N;270.32;2.17;46836714;;;CHEMBL1830702;GENER;EPAM;25;0;"<a href=https://www.ebi.ac.uk/chembl/assay_report_card/CHEMBL1831602/  target=_blank>CHEMBL1831602</a>";;;;;;;;;-5.47;;;;;;;;;;;;"Hong SP, Liu KG, Ma G, Sabio M, Uberti MA, Bacolod MD, Peterson J, Zou ZZ, Robichaud AJ, Doller D.: Tricyclic thiazolopyrazole derivatives as metabotropic glutamate receptor 4 positive allosteric modulators. J Med Chem, Volume 54 (14), 2011";ChEMBL
MM473167;MM473167;Cc1ccnc(Nc2nc3c(s2)CCc2[nH]ncc2-3)c1;QVXRVZDGANBLSG-UHFFFAOYSA-N;283.36;3.08;53387722;;;CHEMBL1830703;GENER;EPAM;25;0;"<a href=https://www.ebi.ac.uk/chembl/assay_report_card/CHEMBL1831602/  target=_blank>CHEMBL1831602</a>";;;;;;;;;-4.91;;;;;;;;;;;;"Hong SP, Liu KG, Ma G, Sabio M, Uberti MA, Bacolod MD, Peterson J, Zou ZZ, Robichaud AJ, Doller D.: Tricyclic thiazolopyrazole derivatives as metabotropic glutamate receptor 4 positive allosteric modulators. J Med Chem, Volume 54 (14), 2011";ChEMBL
MM473166;MM473166;Cc1ccc(Nc2nc3c(s2)CCc2[nH]ncc2-3)nc1;JZQMRRNRLNOLIP-UHFFFAOYSA-N;283.36;3.08;53387723;;;CHEMBL1830704;GENER;EPAM;25;0;"<a href=https://www.ebi.ac.uk/chembl/assay_report_card/CHEMBL1831602/  target=_blank>CHEMBL1831602</a>";;;;;;;;;-5.72;;;;;;;;;;;;"Hong SP, Liu KG, Ma G, Sabio M, Uberti MA, Bacolod MD, Peterson J, Zou ZZ, Robichaud AJ, Doller D.: Tricyclic thiazolopyrazole derivatives as metabotropic glutamate receptor 4 positive allosteric modulators. J Med Chem, Volume 54 (14), 2011";ChEMBL
MM473164;MM473164;Cc1cccc(Nc2nc3c(s2)CCc2[nH]ncc2-3)n1;XVAGDGYSYFRXHH-UHFFFAOYSA-N;283.36;3.08;46836497;;;CHEMBL1830705;GENER;EPAM;25;0;"<a href=https://www.ebi.ac.uk/chembl/assay_report_card/CHEMBL1831602/  target=_blank>CHEMBL1831602</a>";;;;;;;;;-5.7;;;;;;;;;;;;"Hong SP, Liu KG, Ma G, Sabio M, Uberti MA, Bacolod MD, Peterson J, Zou ZZ, Robichaud AJ, Doller D.: Tricyclic thiazolopyrazole derivatives as metabotropic glutamate receptor 4 positive allosteric modulators. J Med Chem, Volume 54 (14), 2011";ChEMBL
MM473163;MM473163;Cc1cc(C)nc(Nc2nc3c(s2)CCc2[nH]ncc2-3)c1;MOSHYIZCRFOVQT-UHFFFAOYSA-N;297.39;3.39;53387724;;;CHEMBL1830706;GENER;EPAM;25;0;"<a href=https://www.ebi.ac.uk/chembl/assay_report_card/CHEMBL1831602/  target=_blank>CHEMBL1831602</a>";;;;;;;;;-6;;;;;;;;;;;;"Hong SP, Liu KG, Ma G, Sabio M, Uberti MA, Bacolod MD, Peterson J, Zou ZZ, Robichaud AJ, Doller D.: Tricyclic thiazolopyrazole derivatives as metabotropic glutamate receptor 4 positive allosteric modulators. J Med Chem, Volume 54 (14), 2011";ChEMBL
MM473162;MM473162;c1ccc(Nc2nc3c(s2)CCCc2[nH]ncc2-3)nc1;DBISXWCOHGUFSF-UHFFFAOYSA-N;283.36;3.16;46836562;;;CHEMBL1830707;GENER;EPAM;25;0;"<a href=https://www.ebi.ac.uk/chembl/assay_report_card/CHEMBL1831602/  target=_blank>CHEMBL1831602</a>";;;;;;;;;-5.03;;;;;;;;;;;;"Hong SP, Liu KG, Ma G, Sabio M, Uberti MA, Bacolod MD, Peterson J, Zou ZZ, Robichaud AJ, Doller D.: Tricyclic thiazolopyrazole derivatives as metabotropic glutamate receptor 4 positive allosteric modulators. J Med Chem, Volume 54 (14), 2011";ChEMBL
MM473161;MM473161;c1cncc(Nc2nc3c(s2)CCCc2[nH]ncc2-3)c1;RZBNNZQLMKBBNX-UHFFFAOYSA-N;283.36;3.16;53387725;;;CHEMBL1830708;GENER;EPAM;25;0;"<a href=https://www.ebi.ac.uk/chembl/assay_report_card/CHEMBL1831602/  target=_blank>CHEMBL1831602</a>";;;;;;;;;-4.46;;;;;;;;;;;;"Hong SP, Liu KG, Ma G, Sabio M, Uberti MA, Bacolod MD, Peterson J, Zou ZZ, Robichaud AJ, Doller D.: Tricyclic thiazolopyrazole derivatives as metabotropic glutamate receptor 4 positive allosteric modulators. J Med Chem, Volume 54 (14), 2011";ChEMBL
MM473160;MM473160;c1cc(Nc2nc3c(s2)CCCc2[nH]ncc2-3)ncn1;NGZOBRYWWQNTCK-UHFFFAOYSA-N;284.35;2.56;53387726;;;CHEMBL1830709;GENER;EPAM;25;0;"<a href=https://www.ebi.ac.uk/chembl/assay_report_card/CHEMBL1831602/  target=_blank>CHEMBL1831602</a>";;;;;;;;;-4.39;;;;;;;;;;;;"Hong SP, Liu KG, Ma G, Sabio M, Uberti MA, Bacolod MD, Peterson J, Zou ZZ, Robichaud AJ, Doller D.: Tricyclic thiazolopyrazole derivatives as metabotropic glutamate receptor 4 positive allosteric modulators. J Med Chem, Volume 54 (14), 2011";ChEMBL
MM473171;MM473171;c1cnc(Nc2nc3c(s2)CCCc2[nH]ncc2-3)cn1;UAZAFDBTOFCZMD-UHFFFAOYSA-N;284.35;2.56;53387727;;;CHEMBL1830710;GENER;EPAM;25;0;"<a href=https://www.ebi.ac.uk/chembl/assay_report_card/CHEMBL1831602/  target=_blank>CHEMBL1831602</a>";;;;;;;;;-5.42;;;;;;;;;;;;"Hong SP, Liu KG, Ma G, Sabio M, Uberti MA, Bacolod MD, Peterson J, Zou ZZ, Robichaud AJ, Doller D.: Tricyclic thiazolopyrazole derivatives as metabotropic glutamate receptor 4 positive allosteric modulators. J Med Chem, Volume 54 (14), 2011";ChEMBL
MM473172;MM473172;c1cnc(Nc2nc3c(s2)CCCc2[nH]ncc2-3)nc1;HYJWPTWQMAYKAM-UHFFFAOYSA-N;284.35;2.56;46836713;;;CHEMBL1830711;GENER;EPAM;25;0;"<a href=https://www.ebi.ac.uk/chembl/assay_report_card/CHEMBL1831602/  target=_blank>CHEMBL1831602</a>";;;;;;;;;-5.82;;;;;;;;;;;;"Hong SP, Liu KG, Ma G, Sabio M, Uberti MA, Bacolod MD, Peterson J, Zou ZZ, Robichaud AJ, Doller D.: Tricyclic thiazolopyrazole derivatives as metabotropic glutamate receptor 4 positive allosteric modulators. J Med Chem, Volume 54 (14), 2011";ChEMBL
MM473173;MM473173;c1cc(Nc2nc3c(s2)CCCc2[nH]ncc2-3)[nH]n1;MEAAZOQWXGTOJX-UHFFFAOYSA-N;272.34;2.49;53387882;;;CHEMBL1830712;GENER;EPAM;25;0;"<a href=https://www.ebi.ac.uk/chembl/assay_report_card/CHEMBL1831602/  target=_blank>CHEMBL1831602</a>";;;;;;;;;-4.6;;;;;;;;;;;;"Hong SP, Liu KG, Ma G, Sabio M, Uberti MA, Bacolod MD, Peterson J, Zou ZZ, Robichaud AJ, Doller D.: Tricyclic thiazolopyrazole derivatives as metabotropic glutamate receptor 4 positive allosteric modulators. J Med Chem, Volume 54 (14), 2011";ChEMBL
MM473174;MM473174;Cc1cc(Nc2nc3c(s2)CCCc2[nH]ncc2-3)n[nH]1;GJMAJJZUVKDXAJ-UHFFFAOYSA-N;286.36;2.8;53387883;;;CHEMBL1830713;GENER;EPAM;25;0;"<a href=https://www.ebi.ac.uk/chembl/assay_report_card/CHEMBL1831602/  target=_blank>CHEMBL1831602</a>";;;;;;;;;-4.82;;;;;;;;;;;;"Hong SP, Liu KG, Ma G, Sabio M, Uberti MA, Bacolod MD, Peterson J, Zou ZZ, Robichaud AJ, Doller D.: Tricyclic thiazolopyrazole derivatives as metabotropic glutamate receptor 4 positive allosteric modulators. J Med Chem, Volume 54 (14), 2011";ChEMBL
MM473175;MM473175;Cn1ccc(Nc2nc3c(s2)CCCc2[nH]ncc2-3)n1;DHEKTOPEFWQDPU-UHFFFAOYSA-N;286.36;2.5;46836715;;;CHEMBL1830714;GENER;EPAM;25;0;"<a href=https://www.ebi.ac.uk/chembl/assay_report_card/CHEMBL1831602/  target=_blank>CHEMBL1831602</a>";;;;;;;;;-4.72;;;;;;;;;;;;"Hong SP, Liu KG, Ma G, Sabio M, Uberti MA, Bacolod MD, Peterson J, Zou ZZ, Robichaud AJ, Doller D.: Tricyclic thiazolopyrazole derivatives as metabotropic glutamate receptor 4 positive allosteric modulators. J Med Chem, Volume 54 (14), 2011";ChEMBL
MM473176;MM473176;Cc1ccc(Nc2nc3c(s2)CCCc2[nH]ncc2-3)nn1;UUBXQAQLUVZNFP-UHFFFAOYSA-N;298.38;2.86;53387885;;;CHEMBL1830896;GENER;EPAM;25;0;"<a href=https://www.ebi.ac.uk/chembl/assay_report_card/CHEMBL1831602/  target=_blank>CHEMBL1831602</a>";;;;;;;;;-4.51;;;;;;;;;;;;"Hong SP, Liu KG, Ma G, Sabio M, Uberti MA, Bacolod MD, Peterson J, Zou ZZ, Robichaud AJ, Doller D.: Tricyclic thiazolopyrazole derivatives as metabotropic glutamate receptor 4 positive allosteric modulators. J Med Chem, Volume 54 (14), 2011";ChEMBL
MM473177;MM473177;c1n[nH]c2c1-c1nc(NC3CCCCC3)sc1CCC2;VKUVUAOMIMXLNY-UHFFFAOYSA-N;288.42;3.77;53387886;;;CHEMBL1830897;GENER;EPAM;25;0;"<a href=https://www.ebi.ac.uk/chembl/assay_report_card/CHEMBL1831602/  target=_blank>CHEMBL1831602</a>";;;;;;;;;-5.55;;;;;;;;;;;;"Hong SP, Liu KG, Ma G, Sabio M, Uberti MA, Bacolod MD, Peterson J, Zou ZZ, Robichaud AJ, Doller D.: Tricyclic thiazolopyrazole derivatives as metabotropic glutamate receptor 4 positive allosteric modulators. J Med Chem, Volume 54 (14), 2011";ChEMBL
MM473178;MM473178;Cc1cccnc1Nc1nc2c(s1)CCCc1[nH]ncc1-2;VYMFSHRJSVAJCD-UHFFFAOYSA-N;297.39;3.47;53387887;;;CHEMBL1830898;GENER;EPAM;25;0;"<a href=https://www.ebi.ac.uk/chembl/assay_report_card/CHEMBL1831602/  target=_blank>CHEMBL1831602</a>";;;;;;;;;-5.1;;;;;;;;;;;;"Hong SP, Liu KG, Ma G, Sabio M, Uberti MA, Bacolod MD, Peterson J, Zou ZZ, Robichaud AJ, Doller D.: Tricyclic thiazolopyrazole derivatives as metabotropic glutamate receptor 4 positive allosteric modulators. J Med Chem, Volume 54 (14), 2011";ChEMBL
MM471605;MM471605;COc1ccc(Oc2ccc3c(NCCCNCc4ccco4)ccnc3c2)cc1;BGDNFVNBVKOWAX-UHFFFAOYSA-N;403.48;5.22;56595007;;;CHEMBL1834707;GENER;EPAM;25;0;"ph = 7.4, <a href=https://www.ebi.ac.uk/chembl/assay_report_card/CHEMBL1837545/  target=_blank>CHEMBL1837545</a>";;;;;;;;;-3.5;;;;;;;;;;;;"Hwang JY, Kawasuji T, Lowes DJ, Clark JA, Connelly MC, Zhu F, Guiguemde WA, Sigal MS, Wilson EB, Derisi JL, Guy RK.: Synthesis and evaluation of 7-substituted 4-aminoquinoline analogues for antimalarial activity. J Med Chem, Volume 54 (20), 2011";ChEMBL
MM471606;MM471606;COc1ccc(F)cc1CNCCCNc1ccnc2cc(Oc3cccc(N(C)C)c3)ccc12;BPOAUWBFJOUOKG-UHFFFAOYSA-N;474.58;5.83;56595008;;;CHEMBL1834708;GENER;EPAM;25;0;"ph = 7.4, <a href=https://www.ebi.ac.uk/chembl/assay_report_card/CHEMBL1837545/  target=_blank>CHEMBL1837545</a>";;;;;;;;;-3.5;;;;;;;;;;;;"Hwang JY, Kawasuji T, Lowes DJ, Clark JA, Connelly MC, Zhu F, Guiguemde WA, Sigal MS, Wilson EB, Derisi JL, Guy RK.: Synthesis and evaluation of 7-substituted 4-aminoquinoline analogues for antimalarial activity. J Med Chem, Volume 54 (20), 2011";ChEMBL
MM471607;MM471607;c1ccc(Oc2ccc3c(NCCCNCc4ccc5c(c4)OCO5)ccnc3c2)cc1;IEMBQFCUMBJOEI-UHFFFAOYSA-N;427.5;5.35;56657922;;;CHEMBL1834709;GENER;EPAM;25;0;"ph = 7.4, <a href=https://www.ebi.ac.uk/chembl/assay_report_card/CHEMBL1837545/  target=_blank>CHEMBL1837545</a>";;;;;;;;;-3.5;;;;;;;;;;;;"Hwang JY, Kawasuji T, Lowes DJ, Clark JA, Connelly MC, Zhu F, Guiguemde WA, Sigal MS, Wilson EB, Derisi JL, Guy RK.: Synthesis and evaluation of 7-substituted 4-aminoquinoline analogues for antimalarial activity. J Med Chem, Volume 54 (20), 2011";ChEMBL
MM471608;MM471608;COc1ccccc1Oc1ccc2c(NCCCNCc3ccco3)ccnc2c1;XGEIVJJDAKGRLA-UHFFFAOYSA-N;403.48;5.22;56595010;;;CHEMBL1834710;GENER;EPAM;25;0;"ph = 7.4, <a href=https://www.ebi.ac.uk/chembl/assay_report_card/CHEMBL1837545/  target=_blank>CHEMBL1837545</a>";;;;;;;;;-3.5;;;;;;;;;;;;"Hwang JY, Kawasuji T, Lowes DJ, Clark JA, Connelly MC, Zhu F, Guiguemde WA, Sigal MS, Wilson EB, Derisi JL, Guy RK.: Synthesis and evaluation of 7-substituted 4-aminoquinoline analogues for antimalarial activity. J Med Chem, Volume 54 (20), 2011";ChEMBL
MM471609;MM471609;Fc1ccc(Oc2ccc3c(NCCCNCc4ccco4)ccnc3c2)cc1;RFWBCMIHMRCBCF-UHFFFAOYSA-N;391.45;5.35;56595011;;;CHEMBL1834711;GENER;EPAM;25;0;"ph = 7.4, <a href=https://www.ebi.ac.uk/chembl/assay_report_card/CHEMBL1837545/  target=_blank>CHEMBL1837545</a>";;;;;;;;;-3.5;;;;;;;;;;;;"Hwang JY, Kawasuji T, Lowes DJ, Clark JA, Connelly MC, Zhu F, Guiguemde WA, Sigal MS, Wilson EB, Derisi JL, Guy RK.: Synthesis and evaluation of 7-substituted 4-aminoquinoline analogues for antimalarial activity. J Med Chem, Volume 54 (20), 2011";ChEMBL
MM471610;MM471610;COc1ccc(F)cc1CNCCCNc1ccnc2cc(Oc3ccc(Cl)cc3)ccc12;SHCCOLVWBRCRBD-UHFFFAOYSA-N;465.96;6.42;56595012;;;CHEMBL1834712;GENER;EPAM;25;0;"ph = 7.4, <a href=https://www.ebi.ac.uk/chembl/assay_report_card/CHEMBL1837545/  target=_blank>CHEMBL1837545</a>";;;;;;;;;-3.5;;;;;;;;;;;;"Hwang JY, Kawasuji T, Lowes DJ, Clark JA, Connelly MC, Zhu F, Guiguemde WA, Sigal MS, Wilson EB, Derisi JL, Guy RK.: Synthesis and evaluation of 7-substituted 4-aminoquinoline analogues for antimalarial activity. J Med Chem, Volume 54 (20), 2011";ChEMBL
MM471611;MM471611;COc1ccc(F)cc1CNCCCNc1ccnc2cc(Oc3ccc(F)cc3)ccc12;IGPDNXFHIVFNAJ-UHFFFAOYSA-N;449.5;5.91;56595141;;;CHEMBL1834713;GENER;EPAM;25;0;"ph = 7.4, <a href=https://www.ebi.ac.uk/chembl/assay_report_card/CHEMBL1837545/  target=_blank>CHEMBL1837545</a>";;;;;;;;;-3.5;;;;;;;;;;;;"Hwang JY, Kawasuji T, Lowes DJ, Clark JA, Connelly MC, Zhu F, Guiguemde WA, Sigal MS, Wilson EB, Derisi JL, Guy RK.: Synthesis and evaluation of 7-substituted 4-aminoquinoline analogues for antimalarial activity. J Med Chem, Volume 54 (20), 2011";ChEMBL
MM471612;MM471612;COc1ccc(F)cc1CNCCCNc1ccnc2cc(Oc3ccccc3)ccc12;AVJAAXINKHZLGT-UHFFFAOYSA-N;431.51;5.77;56595142;;;CHEMBL1834714;GENER;EPAM;25;0;"ph = 7.4, <a href=https://www.ebi.ac.uk/chembl/assay_report_card/CHEMBL1837545/  target=_blank>CHEMBL1837545</a>";;;;;;;;;-3.5;;;;;;;;;;;;"Hwang JY, Kawasuji T, Lowes DJ, Clark JA, Connelly MC, Zhu F, Guiguemde WA, Sigal MS, Wilson EB, Derisi JL, Guy RK.: Synthesis and evaluation of 7-substituted 4-aminoquinoline analogues for antimalarial activity. J Med Chem, Volume 54 (20), 2011";ChEMBL
MM471613;MM471613;COc1cccc(Oc2ccc3c(NCCCNCc4ccco4)ccnc3c2)c1;ZMRYSWOSFHVMQZ-UHFFFAOYSA-N;403.48;5.22;56595143;;;CHEMBL1834715;GENER;EPAM;25;0;"ph = 7.4, <a href=https://www.ebi.ac.uk/chembl/assay_report_card/CHEMBL1837545/  target=_blank>CHEMBL1837545</a>";;;;;;;;;-3.5;;;;;;;;;;;;"Hwang JY, Kawasuji T, Lowes DJ, Clark JA, Connelly MC, Zhu F, Guiguemde WA, Sigal MS, Wilson EB, Derisi JL, Guy RK.: Synthesis and evaluation of 7-substituted 4-aminoquinoline analogues for antimalarial activity. J Med Chem, Volume 54 (20), 2011";ChEMBL
MM471614;MM471614;CN(C)c1cccc(Oc2ccc3c(NCCCNCc4ccco4)ccnc3c2)c1;RCKMFSJLMAJGGG-UHFFFAOYSA-N;416.53;5.28;56595144;;;CHEMBL1834716;GENER;EPAM;25;0;"ph = 7.4, <a href=https://www.ebi.ac.uk/chembl/assay_report_card/CHEMBL1837545/  target=_blank>CHEMBL1837545</a>";;;;;;;;;-3.5;;;;;;;;;;;;"Hwang JY, Kawasuji T, Lowes DJ, Clark JA, Connelly MC, Zhu F, Guiguemde WA, Sigal MS, Wilson EB, Derisi JL, Guy RK.: Synthesis and evaluation of 7-substituted 4-aminoquinoline analogues for antimalarial activity. J Med Chem, Volume 54 (20), 2011";ChEMBL
MM471615;MM471615;COc1cccc(CNCCCNc2ccnc3cc(Oc4ccc(C(C)(C)C)cc4)ccc23)c1O;BXYAHDTWWYCEEF-UHFFFAOYSA-N;485.63;6.63;56595145;;;CHEMBL1834759;GENER;EPAM;25;0;"ph = 7.4, <a href=https://www.ebi.ac.uk/chembl/assay_report_card/CHEMBL1837545/  target=_blank>CHEMBL1837545</a>";;;;;;;;;-3.5;;;;;;;;;;;;"Hwang JY, Kawasuji T, Lowes DJ, Clark JA, Connelly MC, Zhu F, Guiguemde WA, Sigal MS, Wilson EB, Derisi JL, Guy RK.: Synthesis and evaluation of 7-substituted 4-aminoquinoline analogues for antimalarial activity. J Med Chem, Volume 54 (20), 2011";ChEMBL
MM471616;MM471616;COc1cccc(Oc2ccc3c(NCCCNCc4cc(F)ccc4OC)ccnc3c2)c1;VZAORDHRWQXOKK-UHFFFAOYSA-N;461.54;5.78;56595146;;;CHEMBL1834760;GENER;EPAM;25;0;"ph = 7.4, <a href=https://www.ebi.ac.uk/chembl/assay_report_card/CHEMBL1837545/  target=_blank>CHEMBL1837545</a>";;;;;;;;;-3.5;;;;;;;;;;;;"Hwang JY, Kawasuji T, Lowes DJ, Clark JA, Connelly MC, Zhu F, Guiguemde WA, Sigal MS, Wilson EB, Derisi JL, Guy RK.: Synthesis and evaluation of 7-substituted 4-aminoquinoline analogues for antimalarial activity. J Med Chem, Volume 54 (20), 2011";ChEMBL
MM471617;MM471617;Clc1ccc(Oc2ccc3c(NCCCNCc4ccc5c(c4)OCO5)ccnc3c2)cc1;KDIBZFAVIJOCTM-UHFFFAOYSA-N;461.95;6;56657926;;;CHEMBL1834761;GENER;EPAM;25;0;"ph = 7.4, <a href=https://www.ebi.ac.uk/chembl/assay_report_card/CHEMBL1837545/  target=_blank>CHEMBL1837545</a>";;;;;;;;;-3.5;;;;;;;;;;;;"Hwang JY, Kawasuji T, Lowes DJ, Clark JA, Connelly MC, Zhu F, Guiguemde WA, Sigal MS, Wilson EB, Derisi JL, Guy RK.: Synthesis and evaluation of 7-substituted 4-aminoquinoline analogues for antimalarial activity. J Med Chem, Volume 54 (20), 2011";ChEMBL
MM471618;MM471618;COc1ccc(Oc2ccc3c(NCCCNCc4cccc(OC)c4O)ccnc3c2)cc1;ZNPXRAIQHVQTFF-UHFFFAOYSA-N;459.55;5.34;56595282;;;CHEMBL1834762;GENER;EPAM;25;0;"ph = 7.4, <a href=https://www.ebi.ac.uk/chembl/assay_report_card/CHEMBL1837545/  target=_blank>CHEMBL1837545</a>";;;;;;;;;-3.5;;;;;;;;;;;;"Hwang JY, Kawasuji T, Lowes DJ, Clark JA, Connelly MC, Zhu F, Guiguemde WA, Sigal MS, Wilson EB, Derisi JL, Guy RK.: Synthesis and evaluation of 7-substituted 4-aminoquinoline analogues for antimalarial activity. J Med Chem, Volume 54 (20), 2011";ChEMBL
MM471619;MM471619;COc1ccccc1Oc1ccc2c(NCCCNCc3ccc4c(c3)OCO4)ccnc2c1;HNIIHQVJOZGRCP-UHFFFAOYSA-N;457.53;5.36;56668312;;;CHEMBL1834763;GENER;EPAM;25;0;"ph = 7.4, <a href=https://www.ebi.ac.uk/chembl/assay_report_card/CHEMBL1837545/  target=_blank>CHEMBL1837545</a>";;;;;;;;;-3.5;;;;;;;;;;;;"Hwang JY, Kawasuji T, Lowes DJ, Clark JA, Connelly MC, Zhu F, Guiguemde WA, Sigal MS, Wilson EB, Derisi JL, Guy RK.: Synthesis and evaluation of 7-substituted 4-aminoquinoline analogues for antimalarial activity. J Med Chem, Volume 54 (20), 2011";ChEMBL
MM471620;MM471620;COc1cccc(Oc2ccc3c(NCCCNCc4ccc5c(c4)OCO5)ccnc3c2)c1;PMLUMEIQOLGEAB-UHFFFAOYSA-N;457.53;5.36;56664893;;;CHEMBL1834764;GENER;EPAM;25;0;"ph = 7.4, <a href=https://www.ebi.ac.uk/chembl/assay_report_card/CHEMBL1837545/  target=_blank>CHEMBL1837545</a>";;;;;;;;;-3.5;;;;;;;;;;;;"Hwang JY, Kawasuji T, Lowes DJ, Clark JA, Connelly MC, Zhu F, Guiguemde WA, Sigal MS, Wilson EB, Derisi JL, Guy RK.: Synthesis and evaluation of 7-substituted 4-aminoquinoline analogues for antimalarial activity. J Med Chem, Volume 54 (20), 2011";ChEMBL
MM471621;MM471621;COc1ccc(Oc2ccc3c(NCCCNCc4cc(F)ccc4OC)ccnc3c2)cc1;ZXMXSYGRUYATLC-UHFFFAOYSA-N;461.54;5.78;56593658;;;CHEMBL1834765;GENER;EPAM;25;0;"ph = 7.4, <a href=https://www.ebi.ac.uk/chembl/assay_report_card/CHEMBL1837545/  target=_blank>CHEMBL1837545</a>";;;;;;;;;-3.5;;;;;;;;;;;;"Hwang JY, Kawasuji T, Lowes DJ, Clark JA, Connelly MC, Zhu F, Guiguemde WA, Sigal MS, Wilson EB, Derisi JL, Guy RK.: Synthesis and evaluation of 7-substituted 4-aminoquinoline analogues for antimalarial activity. J Med Chem, Volume 54 (20), 2011";ChEMBL
MM471622;MM471622;Fc1ccc(Oc2ccc3c(NCCCNCc4ccc5c(c4)OCO5)ccnc3c2)cc1;UEWQAJBUMUNJRZ-UHFFFAOYSA-N;445.49;5.49;56661450;;;CHEMBL1834766;GENER;EPAM;25;0;"ph = 7.4, <a href=https://www.ebi.ac.uk/chembl/assay_report_card/CHEMBL1837545/  target=_blank>CHEMBL1837545</a>";;;;;;;;;-3.5;;;;;;;;;;;;"Hwang JY, Kawasuji T, Lowes DJ, Clark JA, Connelly MC, Zhu F, Guiguemde WA, Sigal MS, Wilson EB, Derisi JL, Guy RK.: Synthesis and evaluation of 7-substituted 4-aminoquinoline analogues for antimalarial activity. J Med Chem, Volume 54 (20), 2011";ChEMBL
MM471623;MM471623;COc1cccc(CNCCCNc2ccnc3cc(Oc4ccc(Cl)cc4)ccc23)c1O;HEUQEMNEAFXENH-UHFFFAOYSA-N;463.97;5.99;56593662;;;CHEMBL1834767;GENER;EPAM;25;0;"ph = 7.4, <a href=https://www.ebi.ac.uk/chembl/assay_report_card/CHEMBL1837545/  target=_blank>CHEMBL1837545</a>";;;;;;;;;-3.5;;;;;;;;;;;;"Hwang JY, Kawasuji T, Lowes DJ, Clark JA, Connelly MC, Zhu F, Guiguemde WA, Sigal MS, Wilson EB, Derisi JL, Guy RK.: Synthesis and evaluation of 7-substituted 4-aminoquinoline analogues for antimalarial activity. J Med Chem, Volume 54 (20), 2011";ChEMBL
MM471624;MM471624;Clc1ccc(Oc2ccc3c(NCCCNCc4ccco4)ccnc3c2)cc1;IVHAGHYALPYDPQ-UHFFFAOYSA-N;407.9;5.87;56593664;;;CHEMBL1834768;GENER;EPAM;25;0;"ph = 7.4, <a href=https://www.ebi.ac.uk/chembl/assay_report_card/CHEMBL1837545/  target=_blank>CHEMBL1837545</a>";;;;;;;;;-3.5;;;;;;;;;;;;"Hwang JY, Kawasuji T, Lowes DJ, Clark JA, Connelly MC, Zhu F, Guiguemde WA, Sigal MS, Wilson EB, Derisi JL, Guy RK.: Synthesis and evaluation of 7-substituted 4-aminoquinoline analogues for antimalarial activity. J Med Chem, Volume 54 (20), 2011";ChEMBL
MM473191;MM473191;Cc1ccc(N2CC(COc3ccc(-c4noc(C)n4)cc3)C2)nn1;HCOIQQJHIUTQMB-UHFFFAOYSA-N;337.38;2.66;;;;;GENER;EPAM;25;0;"<a href=https://www.ebi.ac.uk/chembl/assay_report_card/CHEMBL1839693/  target=_blank>CHEMBL1839693</a>";;;;;;;;;-4.33;;;;;;;;;;;;"Morley A, Tomkinson N, Cook A, MacDonald C, Weaver R, King S, Jenkinson L, Unitt J, McCrae C, Phillips T.: Effect of lipophilicity modulation on inhibition of human rhinovirus capsid binders. Bioorg Med Chem Lett, Volume 21 (20), 2011";ChEMBL
MM471002;MM471002;CSc1nc(Nc2cccc(Cl)c2)c2cnn(CCc3ccccc3)c2n1;YQKKZNSKOPPFHY-UHFFFAOYSA-N;395.92;5.19;53484203;;;CHEMBL1836673;GENER;EPAM;25;0;"<a href=https://www.ebi.ac.uk/chembl/assay_report_card/CHEMBL4013498/  target=_blank>CHEMBL4013498</a>";;;;;;;;;-6.6;;;;;;;;;;;;"Vignaroli G, Iovenitti G, Zamperini C, Coniglio F, Calandro P, Molinari A, Fallacara AL, Sartucci A, Calgani A, Colecchia D, Mancini A, Festuccia C, Dreassi E, Valoti M, Musumeci F, Chiariello M, Angelucci A, Botta M, Schenone S.: Prodrugs of Pyrazolo[3,4-d]pyrimidines: From Library Synthesis to Evaluation as Potential Anticancer Agents in an Orthotopic Glioblastoma Model. J Med Chem, Volume 60 (14), 2017";ChEMBL
MM471003;MM471003;CSc1nc(Nc2cccc(Br)c2)c2cnn(CC(C)c3ccccc3)c2n1;JSXXDWHFXXQDDJ-UHFFFAOYSA-N;454.4;5.86;56682663;;;CHEMBL1836680;GENER;EPAM;25;0;"<a href=https://www.ebi.ac.uk/chembl/assay_report_card/CHEMBL4013498/  target=_blank>CHEMBL4013498</a>";;;;;;;;;-8;;;;;;;;;;;;"Vignaroli G, Iovenitti G, Zamperini C, Coniglio F, Calandro P, Molinari A, Fallacara AL, Sartucci A, Calgani A, Colecchia D, Mancini A, Festuccia C, Dreassi E, Valoti M, Musumeci F, Chiariello M, Angelucci A, Botta M, Schenone S.: Prodrugs of Pyrazolo[3,4-d]pyrimidines: From Library Synthesis to Evaluation as Potential Anticancer Agents in an Orthotopic Glioblastoma Model. J Med Chem, Volume 60 (14), 2017";ChEMBL
MM471003;MM471003;CSc1nc(Nc2cccc(Br)c2)c2cnn(CC(C)c3ccccc3)c2n1;JSXXDWHFXXQDDJ-UHFFFAOYSA-N;454.4;5.86;56682663;;;CHEMBL1836680;GENER;EPAM;25;0;"<a href=https://www.ebi.ac.uk/chembl/assay_report_card/CHEMBL2411066/  target=_blank>CHEMBL2411066</a>";;;;;;;;;-8;;;;;;;;;;;;"Vignaroli G, Zamperini C, Dreassi E, Radi M, Angelucci A, Sanità P, Crespan E, Kissova M, Maga G, Schenone S, Musumeci F, Botta M.: Pyrazolo[3,4-d]pyrimidine Prodrugs: Strategic Optimization of the Aqueous Solubility of Dual Src/Abl Inhibitors. ACS Med Chem Lett, Volume 4 (7), 2013";ChEMBL
MM473198;MM473198;CN(C)CCOc1ccc(Cn2c(=O)[nH]c3c(N)nc(C(F)(F)F)cc32)cn1;FCIITKQVFRCXQN-UHFFFAOYSA-N;396.37;1.71;56665641;;;CHEMBL1836882;GENER;EPAM;25;0;"<a href=https://www.ebi.ac.uk/chembl/assay_report_card/CHEMBL1837704/  target=_blank>CHEMBL1837704</a>";;;;;;;;;-5.89;;;;;;;;;;;;"Jones P, Pryde DC, Tran TD, Adam FM, Bish G, Calo F, Ciaramella G, Dixon R, Duckworth J, Fox DN, Hay DA, Hitchin J, Horscroft N, Howard M, Laxton C, Parkinson T, Parsons G, Proctor K, Smith MC, Smith N, Thomas A.: Discovery of a highly potent series of TLR7 agonists. Bioorg Med Chem Lett, Volume 21 (19), 2011";ChEMBL
MM473192;MM473192;CN(C)CCNc1ccc(Cn2c(=O)[nH]c3c(N)nc(C(F)(F)F)cc32)cn1;VJQJILGCYUBXMO-UHFFFAOYSA-N;395.39;1.74;56665642;;;CHEMBL1836883;GENER;EPAM;25;0;"<a href=https://www.ebi.ac.uk/chembl/assay_report_card/CHEMBL1837704/  target=_blank>CHEMBL1837704</a>";;;;;;;;;-7;;;;;;;;;;;;"Jones P, Pryde DC, Tran TD, Adam FM, Bish G, Calo F, Ciaramella G, Dixon R, Duckworth J, Fox DN, Hay DA, Hitchin J, Horscroft N, Howard M, Laxton C, Parkinson T, Parsons G, Proctor K, Smith MC, Smith N, Thomas A.: Discovery of a highly potent series of TLR7 agonists. Bioorg Med Chem Lett, Volume 21 (19), 2011";ChEMBL
MM473200;MM473200;Nc1nc(C(F)(F)F)cc2c1[nH]c(=O)n2Cc1ccc(OCCN2CCCC2)nc1;UBAJSVZYTYHQSD-UHFFFAOYSA-N;422.41;2.24;56679241;;;CHEMBL1836884;GENER;EPAM;25;0;"<a href=https://www.ebi.ac.uk/chembl/assay_report_card/CHEMBL1837704/  target=_blank>CHEMBL1837704</a>";;;;;;;;;-5.33;;;;;;;;;;;;"Jones P, Pryde DC, Tran TD, Adam FM, Bish G, Calo F, Ciaramella G, Dixon R, Duckworth J, Fox DN, Hay DA, Hitchin J, Horscroft N, Howard M, Laxton C, Parkinson T, Parsons G, Proctor K, Smith MC, Smith N, Thomas A.: Discovery of a highly potent series of TLR7 agonists. Bioorg Med Chem Lett, Volume 21 (19), 2011";ChEMBL
MM473193;MM473193;Nc1nc(C(F)(F)F)cc2c1[nH]c(=O)n2Cc1ccc(NCCN2CCCC2)nc1;PLQSVDRLCXPXQD-UHFFFAOYSA-N;421.43;2.28;;;;;GENER;EPAM;25;0;"<a href=https://www.ebi.ac.uk/chembl/assay_report_card/CHEMBL1837704/  target=_blank>CHEMBL1837704</a>";;;;;;;;;-7;;;;;;;;;;;;"Jones P, Pryde DC, Tran TD, Adam FM, Bish G, Calo F, Ciaramella G, Dixon R, Duckworth J, Fox DN, Hay DA, Hitchin J, Horscroft N, Howard M, Laxton C, Parkinson T, Parsons G, Proctor K, Smith MC, Smith N, Thomas A.: Discovery of a highly potent series of TLR7 agonists. Bioorg Med Chem Lett, Volume 21 (19), 2011";ChEMBL
MM473197;MM473197;CN(C)CCN(C)c1ccc(Cn2c(=O)[nH]c3c(N)nc(C(F)(F)F)cc32)cn1;AAOTVWDBODRGRV-UHFFFAOYSA-N;409.42;1.77;56672554;;;CHEMBL1836886;GENER;EPAM;25;0;"<a href=https://www.ebi.ac.uk/chembl/assay_report_card/CHEMBL1837704/  target=_blank>CHEMBL1837704</a>";;;;;;;;;-6.05;;;;;;;;;;;;"Jones P, Pryde DC, Tran TD, Adam FM, Bish G, Calo F, Ciaramella G, Dixon R, Duckworth J, Fox DN, Hay DA, Hitchin J, Horscroft N, Howard M, Laxton C, Parkinson T, Parsons G, Proctor K, Smith MC, Smith N, Thomas A.: Discovery of a highly potent series of TLR7 agonists. Bioorg Med Chem Lett, Volume 21 (19), 2011";ChEMBL
MM473203;MM473203;CN1CCN(c2ccc(Cn3c(=O)[nH]c4c(N)nc(C(F)(F)F)cc43)cn2)CC1;VUJWPECYEWDMSR-UHFFFAOYSA-N;407.4;1.52;53484134;;;CHEMBL1836887;GENER;EPAM;25;0;"<a href=https://www.ebi.ac.uk/chembl/assay_report_card/CHEMBL1837704/  target=_blank>CHEMBL1837704</a>";;;;;;;;;-4.92;;;;;;;;;;;;"Jones P, Pryde DC, Tran TD, Adam FM, Bish G, Calo F, Ciaramella G, Dixon R, Duckworth J, Fox DN, Hay DA, Hitchin J, Horscroft N, Howard M, Laxton C, Parkinson T, Parsons G, Proctor K, Smith MC, Smith N, Thomas A.: Discovery of a highly potent series of TLR7 agonists. Bioorg Med Chem Lett, Volume 21 (19), 2011";ChEMBL
MM473202;MM473202;COCCN1CCN(c2ccc(Cn3c(=O)[nH]c4c(N)nc(C(F)(F)F)cc43)cn2)CC1;WHYNFCSKHARUNG-UHFFFAOYSA-N;451.45;1.54;56672555;;;CHEMBL1836888;GENER;EPAM;25;0;"<a href=https://www.ebi.ac.uk/chembl/assay_report_card/CHEMBL1837704/  target=_blank>CHEMBL1837704</a>";;;;;;;;;-5;;;;;;;;;;;;"Jones P, Pryde DC, Tran TD, Adam FM, Bish G, Calo F, Ciaramella G, Dixon R, Duckworth J, Fox DN, Hay DA, Hitchin J, Horscroft N, Howard M, Laxton C, Parkinson T, Parsons G, Proctor K, Smith MC, Smith N, Thomas A.: Discovery of a highly potent series of TLR7 agonists. Bioorg Med Chem Lett, Volume 21 (19), 2011";ChEMBL
MM473194;MM473194;CN(C)CCN1CCN(c2ccc(Cn3c(=O)[nH]c4c(N)nc(C(F)(F)F)cc43)cn2)CC1;DCNQTKAVOYMOSG-UHFFFAOYSA-N;464.5;1.45;56665643;;;CHEMBL1836889;GENER;EPAM;25;0;"<a href=https://www.ebi.ac.uk/chembl/assay_report_card/CHEMBL1837704/  target=_blank>CHEMBL1837704</a>";;;;;;;;;-7;;;;;;;;;;;;"Jones P, Pryde DC, Tran TD, Adam FM, Bish G, Calo F, Ciaramella G, Dixon R, Duckworth J, Fox DN, Hay DA, Hitchin J, Horscroft N, Howard M, Laxton C, Parkinson T, Parsons G, Proctor K, Smith MC, Smith N, Thomas A.: Discovery of a highly potent series of TLR7 agonists. Bioorg Med Chem Lett, Volume 21 (19), 2011";ChEMBL
MM473201;MM473201;CN(CCN1CCCCC1)c1ccc(Cn2c(=O)[nH]c3c(N)nc(C(F)(F)F)cc32)cn1;FBIKDAGCINCIRM-UHFFFAOYSA-N;449.48;2.69;56665644;;;CHEMBL1836890;GENER;EPAM;25;0;"<a href=https://www.ebi.ac.uk/chembl/assay_report_card/CHEMBL1837704/  target=_blank>CHEMBL1837704</a>";;;;;;;;;-5.28;;;;;;;;;;;;"Jones P, Pryde DC, Tran TD, Adam FM, Bish G, Calo F, Ciaramella G, Dixon R, Duckworth J, Fox DN, Hay DA, Hitchin J, Horscroft N, Howard M, Laxton C, Parkinson T, Parsons G, Proctor K, Smith MC, Smith N, Thomas A.: Discovery of a highly potent series of TLR7 agonists. Bioorg Med Chem Lett, Volume 21 (19), 2011";ChEMBL
MM473199;MM473199;CCN(CC)CCN(C)c1ccc(Cn2c(=O)[nH]c3c(N)nc(C(F)(F)F)cc32)cn1;RMZPNWGHJKRMCJ-UHFFFAOYSA-N;437.47;2.55;56672556;;;CHEMBL1836891;GENER;EPAM;25;0;"<a href=https://www.ebi.ac.uk/chembl/assay_report_card/CHEMBL1837704/  target=_blank>CHEMBL1837704</a>";;;;;;;;;-5.6;;;;;;;;;;;;"Jones P, Pryde DC, Tran TD, Adam FM, Bish G, Calo F, Ciaramella G, Dixon R, Duckworth J, Fox DN, Hay DA, Hitchin J, Horscroft N, Howard M, Laxton C, Parkinson T, Parsons G, Proctor K, Smith MC, Smith N, Thomas A.: Discovery of a highly potent series of TLR7 agonists. Bioorg Med Chem Lett, Volume 21 (19), 2011";ChEMBL
MM473196;MM473196;CN1CCN(CCN(C)c2ccc(Cn3c(=O)[nH]c4c(N)nc(C(F)(F)F)cc43)cn2)CC1;MSKYZOPCECANKD-UHFFFAOYSA-N;464.5;1.45;;;;;GENER;EPAM;25;0;"<a href=https://www.ebi.ac.uk/chembl/assay_report_card/CHEMBL1837704/  target=_blank>CHEMBL1837704</a>";;;;;;;;;-6.15;;;;;;;;;;;;"Jones P, Pryde DC, Tran TD, Adam FM, Bish G, Calo F, Ciaramella G, Dixon R, Duckworth J, Fox DN, Hay DA, Hitchin J, Horscroft N, Howard M, Laxton C, Parkinson T, Parsons G, Proctor K, Smith MC, Smith N, Thomas A.: Discovery of a highly potent series of TLR7 agonists. Bioorg Med Chem Lett, Volume 21 (19), 2011";ChEMBL
MM473195;MM473195;Nc1nc(C(F)(F)F)cc2c1[nH]c(=O)n2Cc1ccc(NCCN2CCCCC2)nc1;QKUWZNZVQLRNKN-UHFFFAOYSA-N;435.45;2.67;56669090;;;CHEMBL1836893;GENER;EPAM;25;0;"<a href=https://www.ebi.ac.uk/chembl/assay_report_card/CHEMBL1837704/  target=_blank>CHEMBL1837704</a>";;;;;;;;;-6.52;;;;;;;;;;;;"Jones P, Pryde DC, Tran TD, Adam FM, Bish G, Calo F, Ciaramella G, Dixon R, Duckworth J, Fox DN, Hay DA, Hitchin J, Horscroft N, Howard M, Laxton C, Parkinson T, Parsons G, Proctor K, Smith MC, Smith N, Thomas A.: Discovery of a highly potent series of TLR7 agonists. Bioorg Med Chem Lett, Volume 21 (19), 2011";ChEMBL
9-hyroxyethoxymethylguanine;MM00074;Nc1nc(=O)c2ncn(COCCO)c2[nH]1;MKUXAQIIEYXACX-UHFFFAOYSA-N;225.21;-1.33;2022;DB00787;AC2;CHEMBL184;GENER;EPAM;25;0;"<a href=https://www.ebi.ac.uk/chembl/assay_report_card/CHEMBL902035/  target=_blank>CHEMBL902035</a>";;;;;;;;;-8;;;;;;;;;;;;"Chatterjee J, Ovadia O, Zahn G, Marinelli L, Hoffman A, Gilon C, Kessler H.: Multiple N-methylation by a designed approach enhances receptor selectivity. J Med Chem, Volume 50 (24), 2007";ChEMBL
9-hyroxyethoxymethylguanine;MM00074;Nc1nc(=O)c2ncn(COCCO)c2[nH]1;MKUXAQIIEYXACX-UHFFFAOYSA-N;225.21;-1.33;2022;DB00787;AC2;CHEMBL184;GENER;EPAM;25;0;"ph = 6.5, <a href=https://www.ebi.ac.uk/chembl/assay_report_card/CHEMBL1046150/  target=_blank>CHEMBL1046150</a>";;;;;;;;;-6.1;;;;;;;;;;;;"Tam KY, Avdeef A, Tsinman O, Sun N.: The permeation of amphoteric drugs through artificial membranes--an in combo absorption model based on paracellular and transmembrane permeability. J Med Chem, Volume 53 (1), 392-401, 2010";ChEMBL
MM473981;MM473981;Clc1cc(Cl)cc(CNc2ncncc2-c2ccc3c(c2)OCO3)c1;;374.23;4.79;46926514;;;CHEMBL1885748;GENER;EPAM;25;0;"<a href=https://www.ebi.ac.uk/chembl/assay_report_card/CHEMBL2395642/  target=_blank>CHEMBL2395642</a>";;;;;;;;;-2.94;;;;;;;;;;;;"Coombs TC, Tanega C, Shen M, Wang JL, Auld DS, Gerritz SW, Schoenen FJ, Thomas CJ, Aubé J.: Small-molecule pyrimidine inhibitors of the cdc2-like (Clk) and dual specificity tyrosine phosphorylation-regulated (Dyrk) kinases: development of chemical probe ML315. Bioorg Med Chem Lett, Volume 23 (12), 2013";ChEMBL
MM474392;MM474392;O=C1CC[C@@]2(O)[C@H]3Cc4ccc(O)c5c4[C@@]2(CCN3CC2CC2)[C@H]1O5;DQCKKXVULJGBQN-XFWGSAIBSA-N;341.41;1.53;;;;;GENER;EPAM;25;0;"<a href=https://www.ebi.ac.uk/chembl/assay_report_card/CHEMBL4323355/  target=_blank>CHEMBL4323355</a>";;;;;;;;;-4.82;;;;;;;;;;;;"Meyer MJ, Neumann VE, Friesacher HR, Zdrazil B, Brockmöller J, Tzvetkov MV.: Opioids as Substrates and Inhibitors of the Genetically Highly Variable Organic Cation Transporter OCT1. J Med Chem, Volume 62 (21), 2019";ChEMBL
MM473205;MM473205;CC(=O)Nc1cn2cc(C=C3SC(=O)NC3=O)ccc2n1;CCECKHDWHUIQQG-WTKPLQERSA-N;302.32;1.62;54754350;;;CHEMBL1914475;GENER;EPAM;25;0;"<a href=https://www.ebi.ac.uk/chembl/assay_report_card/CHEMBL1918901/  target=_blank>CHEMBL1918901</a>";;;;;;;;;-4.87;;;;;;;;;;;;"Hughes SJ, Millan DS, Kilty IC, Lewthwaite RA, Mathias JP, O'Reilly MA, Pannifer A, Phelan A, Stühmeier F, Baldock DA, Brown DG.: Fragment based discovery of a novel and selective PI3 kinase inhibitor. Bioorg Med Chem Lett, Volume 21 (21), 2011";ChEMBL
MM473204;MM473204;Cc1ncc(Cn2nc(-c3n[nH]c(C(F)(F)F)n3)c3cccnc32)cn1;QAXGZFQDGNOCEI-UHFFFAOYSA-N;360.3;2.38;57396346;;;CHEMBL1916040;GENER;EPAM;25;0;"<a href=https://www.ebi.ac.uk/chembl/assay_report_card/CHEMBL1918706/  target=_blank>CHEMBL1918706</a>";;;;;;;;;-4.57;;;;;;;;;;;;"Roberts LR, Bradley PA, Bunnage ME, England KS, Fairman D, Fobian YM, Fox DN, Gymer GE, Heasley SE, Molette J, Smith GL, Schmidt MA, Tones MA, Dack KN.: Acidic triazoles as soluble guanylate cyclase stimulators. Bioorg Med Chem Lett, Volume 21 (21), 2011";ChEMBL
MM472493;MM472493;OCC1OC(n2cc(COc3ccccc3)nn2)C(O)C(O)C1O;LONVUAYEINAMEC-MRLBHPIUSA-N;337.33;-1.17;57402640;;;CHEMBL1917302;GENER;EPAM;25;0;"at ph 5 to 7.4, <a href=https://www.ebi.ac.uk/chembl/assay_report_card/CHEMBL1919138/  target=_blank>CHEMBL1919138</a>";;;;;;;;;-9;;;;;;;;;;;;"Schwardt O, Rabbani S, Hartmann M, Abgottspon D, Wittwer M, Kleeb S, Zalewski A, Smieško M, Cutting B, Ernst B.: Design, synthesis and biological evaluation of mannosyl triazoles as FimH antagonists. Bioorg Med Chem, Volume 19 (21), 2011";ChEMBL
MM472506;MM472506;OCC1OC(OCc2cn(-c3ccncc3)nn2)C(O)C(O)C1O;ALHAGZVQGCJALR-DGTMBMJNSA-N;338.32;-2.02;56946890;;;CHEMBL1917312;GENER;EPAM;25;0;"at ph 5 to 7.4, <a href=https://www.ebi.ac.uk/chembl/assay_report_card/CHEMBL1919138/  target=_blank>CHEMBL1919138</a>";;;;;;;;;-8.7;;;;;;;;;;;;"Schwardt O, Rabbani S, Hartmann M, Abgottspon D, Wittwer M, Kleeb S, Zalewski A, Smieško M, Cutting B, Ernst B.: Design, synthesis and biological evaluation of mannosyl triazoles as FimH antagonists. Bioorg Med Chem, Volume 19 (21), 2011";ChEMBL
MM472505;MM472505;OCC1OC(OCc2cn(-c3ccc(F)cc3)nn2)C(O)C(O)C1O;FHWVWIGGLADQJG-MRLBHPIUSA-N;355.32;-1.28;57390342;;;CHEMBL1917469;GENER;EPAM;25;0;"at ph 5 to 7.4, <a href=https://www.ebi.ac.uk/chembl/assay_report_card/CHEMBL1919138/  target=_blank>CHEMBL1919138</a>";;;;;;;;;-10;;;;;;;;;;;;"Schwardt O, Rabbani S, Hartmann M, Abgottspon D, Wittwer M, Kleeb S, Zalewski A, Smieško M, Cutting B, Ernst B.: Design, synthesis and biological evaluation of mannosyl triazoles as FimH antagonists. Bioorg Med Chem, Volume 19 (21), 2011";ChEMBL
MM472504;MM472504;OCC1OC(OCc2cn(-c3cccc(F)c3)nn2)C(O)C(O)C1O;INZJAGSIEHLXIY-MRLBHPIUSA-N;355.32;-1.28;57395614;;;CHEMBL1917470;GENER;EPAM;25;0;"at ph 5 to 7.4, <a href=https://www.ebi.ac.uk/chembl/assay_report_card/CHEMBL1919138/  target=_blank>CHEMBL1919138</a>";;;;;;;;;-8.8;;;;;;;;;;;;"Schwardt O, Rabbani S, Hartmann M, Abgottspon D, Wittwer M, Kleeb S, Zalewski A, Smieško M, Cutting B, Ernst B.: Design, synthesis and biological evaluation of mannosyl triazoles as FimH antagonists. Bioorg Med Chem, Volume 19 (21), 2011";ChEMBL
MM472503;MM472503;COc1ccc(-n2cc(COC3OC(CO)C(O)C(O)C3O)nn2)cc1;OHZPDGBVPDKTGU-OWYFMNJBSA-N;367.36;-1.41;57397423;;;CHEMBL1917471;GENER;EPAM;25;0;"at ph 5 to 7.4, <a href=https://www.ebi.ac.uk/chembl/assay_report_card/CHEMBL1919138/  target=_blank>CHEMBL1919138</a>";;;;;;;;;-8.9;;;;;;;;;;;;"Schwardt O, Rabbani S, Hartmann M, Abgottspon D, Wittwer M, Kleeb S, Zalewski A, Smieško M, Cutting B, Ernst B.: Design, synthesis and biological evaluation of mannosyl triazoles as FimH antagonists. Bioorg Med Chem, Volume 19 (21), 2011";ChEMBL
MM472502;MM472502;COc1cccc(Cn2cc(CCOC3OC(CO)C(O)C(O)C3O)nn2)c1;RTACJBFLOGTBQU-ZBRFXRBCSA-N;395.41;-1.31;57397424;;;CHEMBL1917472;GENER;EPAM;25;0;"at ph 5 to 7.4, <a href=https://www.ebi.ac.uk/chembl/assay_report_card/CHEMBL1919138/  target=_blank>CHEMBL1919138</a>";;;;;;;;;-8.7;;;;;;;;;;;;"Schwardt O, Rabbani S, Hartmann M, Abgottspon D, Wittwer M, Kleeb S, Zalewski A, Smieško M, Cutting B, Ernst B.: Design, synthesis and biological evaluation of mannosyl triazoles as FimH antagonists. Bioorg Med Chem, Volume 19 (21), 2011";ChEMBL
MM472501;MM472501;O=[N+]([O-])c1ccc(-n2cc(CCO[C@H]3O[C@H](CO)[C@@H](O)[C@H](O)[C@@H]3O)nn2)cc1;DGNCIOKJDPOOAI-OWYFMNJBSA-N;396.36;-1.47;;;;;GENER;EPAM;25;+1,-1;"at ph 5 to 7.4, <a href=https://www.ebi.ac.uk/chembl/assay_report_card/CHEMBL1919138/  target=_blank>CHEMBL1919138</a>";;;;;;;;;-9.2;;;;;;;;;;;;"Schwardt O, Rabbani S, Hartmann M, Abgottspon D, Wittwer M, Kleeb S, Zalewski A, Smieško M, Cutting B, Ernst B.: Design, synthesis and biological evaluation of mannosyl triazoles as FimH antagonists. Bioorg Med Chem, Volume 19 (21), 2011";ChEMBL
MM472500;MM472500;OCC1OC(OCCc2cn(-c3ccncc3)nn2)C(O)C(O)C1O;ZGLKUQMVEMOSLT-MRLBHPIUSA-N;352.35;-1.98;57395615;;;CHEMBL1917474;GENER;EPAM;25;0;"at ph 5 to 7.4, <a href=https://www.ebi.ac.uk/chembl/assay_report_card/CHEMBL1919138/  target=_blank>CHEMBL1919138</a>";;;;;;;;;-9.1;;;;;;;;;;;;"Schwardt O, Rabbani S, Hartmann M, Abgottspon D, Wittwer M, Kleeb S, Zalewski A, Smieško M, Cutting B, Ernst B.: Design, synthesis and biological evaluation of mannosyl triazoles as FimH antagonists. Bioorg Med Chem, Volume 19 (21), 2011";ChEMBL
MM472499;MM472499;OCC1OC(OCCc2cn(-c3ccc(F)cc3)nn2)C(O)C(O)C1O;GCCNZCZFHXWVLN-OWYFMNJBSA-N;369.35;-1.23;57392120;;;CHEMBL1917475;GENER;EPAM;25;0;"at ph 5 to 7.4, <a href=https://www.ebi.ac.uk/chembl/assay_report_card/CHEMBL1919138/  target=_blank>CHEMBL1919138</a>";;;;;;;;;-10;;;;;;;;;;;;"Schwardt O, Rabbani S, Hartmann M, Abgottspon D, Wittwer M, Kleeb S, Zalewski A, Smieško M, Cutting B, Ernst B.: Design, synthesis and biological evaluation of mannosyl triazoles as FimH antagonists. Bioorg Med Chem, Volume 19 (21), 2011";ChEMBL
MM472498;MM472498;OCC1OC(n2cc(-c3ccccc3)nn2)C(O)C(O)C1O;SLCZDPXCZLKLKY-DGTMBMJNSA-N;307.31;-1.08;57397425;;;CHEMBL1917476;GENER;EPAM;25;0;"at ph 5 to 7.4, <a href=https://www.ebi.ac.uk/chembl/assay_report_card/CHEMBL1919138/  target=_blank>CHEMBL1919138</a>";;;;;;;;;-8.6;;;;;;;;;;;;"Schwardt O, Rabbani S, Hartmann M, Abgottspon D, Wittwer M, Kleeb S, Zalewski A, Smieško M, Cutting B, Ernst B.: Design, synthesis and biological evaluation of mannosyl triazoles as FimH antagonists. Bioorg Med Chem, Volume 19 (21), 2011";ChEMBL
MM472497;MM472497;Cc1ccc(-c2cn(C3OC(CO)C(O)C(O)C3O)nn2)cc1;GPKJBGDVSSJYIY-MRLBHPIUSA-N;321.33;-0.77;57397426;;;CHEMBL1917477;GENER;EPAM;25;0;"at ph 5 to 7.4, <a href=https://www.ebi.ac.uk/chembl/assay_report_card/CHEMBL1919138/  target=_blank>CHEMBL1919138</a>";;;;;;;;;-8.1;;;;;;;;;;;;"Schwardt O, Rabbani S, Hartmann M, Abgottspon D, Wittwer M, Kleeb S, Zalewski A, Smieško M, Cutting B, Ernst B.: Design, synthesis and biological evaluation of mannosyl triazoles as FimH antagonists. Bioorg Med Chem, Volume 19 (21), 2011";ChEMBL
MM472496;MM472496;OCC1OC(n2cc(-c3cccc(Cl)c3)nn2)C(O)C(O)C1O;WWUBHMLFHDHPMD-DGTMBMJNSA-N;341.75;-0.43;57402608;;;CHEMBL1917478;GENER;EPAM;25;0;"at ph 5 to 7.4, <a href=https://www.ebi.ac.uk/chembl/assay_report_card/CHEMBL1919138/  target=_blank>CHEMBL1919138</a>";;;;;;;;;-7.8;;;;;;;;;;;;"Schwardt O, Rabbani S, Hartmann M, Abgottspon D, Wittwer M, Kleeb S, Zalewski A, Smieško M, Cutting B, Ernst B.: Design, synthesis and biological evaluation of mannosyl triazoles as FimH antagonists. Bioorg Med Chem, Volume 19 (21), 2011";ChEMBL
MM472495;MM472495;OCC1OC(n2cc(-c3ccc(C(F)(F)F)cc3)nn2)C(O)C(O)C1O;FPLARQHVEGXNTM-DGTMBMJNSA-N;375.3;-0.06;46893411;;;CHEMBL1917479;GENER;EPAM;25;0;"at ph 5 to 7.4, <a href=https://www.ebi.ac.uk/chembl/assay_report_card/CHEMBL1919138/  target=_blank>CHEMBL1919138</a>";;;;;;;;;-7.7;;;;;;;;;;;;"Schwardt O, Rabbani S, Hartmann M, Abgottspon D, Wittwer M, Kleeb S, Zalewski A, Smieško M, Cutting B, Ernst B.: Design, synthesis and biological evaluation of mannosyl triazoles as FimH antagonists. Bioorg Med Chem, Volume 19 (21), 2011";ChEMBL
MM472494;MM472494;OCC1OC(n2cc(-c3cccnc3)nn2)C(O)C(O)C1O;PFQUNHCEXAFDEN-BNDIWNMDSA-N;308.29;-1.69;57393888;;;CHEMBL1917480;GENER;EPAM;25;0;"at ph 5 to 7.4, <a href=https://www.ebi.ac.uk/chembl/assay_report_card/CHEMBL1919138/  target=_blank>CHEMBL1919138</a>";;;;;;;;;-10;;;;;;;;;;;;"Schwardt O, Rabbani S, Hartmann M, Abgottspon D, Wittwer M, Kleeb S, Zalewski A, Smieško M, Cutting B, Ernst B.: Design, synthesis and biological evaluation of mannosyl triazoles as FimH antagonists. Bioorg Med Chem, Volume 19 (21), 2011";ChEMBL
MM472492;MM472492;OCC1OC(Cn2cc(-c3ccccc3)nn2)C(O)C(O)C1O;BMWACJTUWHVHNW-KJWHEZOQSA-N;321.33;-1.21;57397427;;;CHEMBL1917481;GENER;EPAM;25;0;"at ph 5 to 7.4, <a href=https://www.ebi.ac.uk/chembl/assay_report_card/CHEMBL1919138/  target=_blank>CHEMBL1919138</a>";;;;;;;;;-9.1;;;;;;;;;;;;"Schwardt O, Rabbani S, Hartmann M, Abgottspon D, Wittwer M, Kleeb S, Zalewski A, Smieško M, Cutting B, Ernst B.: Design, synthesis and biological evaluation of mannosyl triazoles as FimH antagonists. Bioorg Med Chem, Volume 19 (21), 2011";ChEMBL
MM472491;MM472491;Cc1ccc(-c2cn(CC3OC(CO)C(O)C(O)C3O)nn2)cc1;FCPIPOVWEMZULO-OXGONZEZSA-N;335.36;-0.9;57392121;;;CHEMBL1917482;GENER;EPAM;25;0;"at ph 5 to 7.4, <a href=https://www.ebi.ac.uk/chembl/assay_report_card/CHEMBL1919138/  target=_blank>CHEMBL1919138</a>";;;;;;;;;-9.3;;;;;;;;;;;;"Schwardt O, Rabbani S, Hartmann M, Abgottspon D, Wittwer M, Kleeb S, Zalewski A, Smieško M, Cutting B, Ernst B.: Design, synthesis and biological evaluation of mannosyl triazoles as FimH antagonists. Bioorg Med Chem, Volume 19 (21), 2011";ChEMBL
MM472490;MM472490;OCC1OC(Cn2cc(-c3cccc(Cl)c3)nn2)C(O)C(O)C1O;PRNLALZXUFVFSF-KJWHEZOQSA-N;355.78;-0.56;57399104;;;CHEMBL1917483;GENER;EPAM;25;0;"at ph 5 to 7.4, <a href=https://www.ebi.ac.uk/chembl/assay_report_card/CHEMBL1919138/  target=_blank>CHEMBL1919138</a>";;;;;;;;;-9.7;;;;;;;;;;;;"Schwardt O, Rabbani S, Hartmann M, Abgottspon D, Wittwer M, Kleeb S, Zalewski A, Smieško M, Cutting B, Ernst B.: Design, synthesis and biological evaluation of mannosyl triazoles as FimH antagonists. Bioorg Med Chem, Volume 19 (21), 2011";ChEMBL
MM472489;MM472489;OCC1OC(Cn2cc(-c3ccc(C(F)(F)F)cc3)nn2)C(O)C(O)C1O;KWBFSKLNZPGOPH-KJWHEZOQSA-N;389.33;-0.19;57397428;;;CHEMBL1917484;GENER;EPAM;25;0;"at ph 5 to 7.4, <a href=https://www.ebi.ac.uk/chembl/assay_report_card/CHEMBL1919138/  target=_blank>CHEMBL1919138</a>";;;;;;;;;-9.3;;;;;;;;;;;;"Schwardt O, Rabbani S, Hartmann M, Abgottspon D, Wittwer M, Kleeb S, Zalewski A, Smieško M, Cutting B, Ernst B.: Design, synthesis and biological evaluation of mannosyl triazoles as FimH antagonists. Bioorg Med Chem, Volume 19 (21), 2011";ChEMBL
MM472488;MM472488;OCC1OC(Cn2cc(-c3cccnc3)nn2)C(O)C(O)C1O;WFOUFLABRMYNEG-DHGKCCLASA-N;322.32;-1.82;57393889;;;CHEMBL1917485;GENER;EPAM;25;0;"at ph 5 to 7.4, <a href=https://www.ebi.ac.uk/chembl/assay_report_card/CHEMBL1919138/  target=_blank>CHEMBL1919138</a>";;;;;;;;;-10;;;;;;;;;;;;"Schwardt O, Rabbani S, Hartmann M, Abgottspon D, Wittwer M, Kleeb S, Zalewski A, Smieško M, Cutting B, Ernst B.: Design, synthesis and biological evaluation of mannosyl triazoles as FimH antagonists. Bioorg Med Chem, Volume 19 (21), 2011";ChEMBL
MM472487;MM472487;OCC1OC(Cn2cc(COc3ccccc3)nn2)C(O)C(O)C1O;QEALGGNWRGOGDN-OXGONZEZSA-N;351.36;-1.3;57393890;;;CHEMBL1917486;GENER;EPAM;25;0;"at ph 5 to 7.4, <a href=https://www.ebi.ac.uk/chembl/assay_report_card/CHEMBL1919138/  target=_blank>CHEMBL1919138</a>";;;;;;;;;-10;;;;;;;;;;;;"Schwardt O, Rabbani S, Hartmann M, Abgottspon D, Wittwer M, Kleeb S, Zalewski A, Smieško M, Cutting B, Ernst B.: Design, synthesis and biological evaluation of mannosyl triazoles as FimH antagonists. Bioorg Med Chem, Volume 19 (21), 2011";ChEMBL
MM472385;MM472385;COc1ccc(C(=O)Nc2ccccc2NC(=O)c2ccc(N3CCCN(C)CC3)cc2)cc1;TWOOCLLLACQULH-UHFFFAOYSA-N;458.56;4.34;56849975;;;CHEMBL1922226;GENER;EPAM;25;0;"ph = 6.5, <a href=https://www.ebi.ac.uk/chembl/assay_report_card/CHEMBL1926247/  target=_blank>CHEMBL1926247</a>";;;;;;;;;-4.38;;;;;;;;;;;;"Hirayama F, Koshio H, Ishihara T, Hachiya S, Sugasawa K, Koga Y, Seki N, Shiraki R, Shigenaga T, Iwatsuki Y, Moritani Y, Mori K, Kadokura T, Kawasaki T, Matsumoto Y, Sakamoto S, Tsukamoto S.: Discovery of N-[2-hydroxy-6-(4-methoxybenzamido)phenyl]-4- (4-methyl-1,4-diazepan-1-yl)benzamide (darexaban, YM150) as a potent and orally available factor Xa inhibitor. J Med Chem, Volume 54 (23), 2011";ChEMBL
MM472384;MM472384;COc1ccc(C(=O)Nc2cccc(OC)c2NC(=O)c2ccc(N3CCCN(C)CC3)cc2)cc1;KYQRTKYBRBAQFR-UHFFFAOYSA-N;488.59;4.35;12972261;;;CHEMBL1922229;GENER;EPAM;25;0;"ph = 6.5, <a href=https://www.ebi.ac.uk/chembl/assay_report_card/CHEMBL1926247/  target=_blank>CHEMBL1926247</a>";;;;;;;;;-4.32;;;;;;;;;;;;"Hirayama F, Koshio H, Ishihara T, Hachiya S, Sugasawa K, Koga Y, Seki N, Shiraki R, Shigenaga T, Iwatsuki Y, Moritani Y, Mori K, Kadokura T, Kawasaki T, Matsumoto Y, Sakamoto S, Tsukamoto S.: Discovery of N-[2-hydroxy-6-(4-methoxybenzamido)phenyl]-4- (4-methyl-1,4-diazepan-1-yl)benzamide (darexaban, YM150) as a potent and orally available factor Xa inhibitor. J Med Chem, Volume 54 (23), 2011";ChEMBL
MM472383;MM472383;COc1ccc(C(=O)Nc2cccc(O)c2NC(=O)c2ccc(N3CCCN(C)CC3)cc2)cc1;IJNIQYINMSGIPS-UHFFFAOYSA-N;474.56;4.05;9912771;;;CHEMBL1922235;GENER;EPAM;25;0;"ph = 6.5, <a href=https://www.ebi.ac.uk/chembl/assay_report_card/CHEMBL1926247/  target=_blank>CHEMBL1926247</a>";;;;;;;;;-4.52;;;;;;;;;;;;"Hirayama F, Koshio H, Ishihara T, Hachiya S, Sugasawa K, Koga Y, Seki N, Shiraki R, Shigenaga T, Iwatsuki Y, Moritani Y, Mori K, Kadokura T, Kawasaki T, Matsumoto Y, Sakamoto S, Tsukamoto S.: Discovery of N-[2-hydroxy-6-(4-methoxybenzamido)phenyl]-4- (4-methyl-1,4-diazepan-1-yl)benzamide (darexaban, YM150) as a potent and orally available factor Xa inhibitor. J Med Chem, Volume 54 (23), 2011";ChEMBL
MM474418;MM474418;O=C(Nc1cc(-c2cc3c([nH]2)C2(CCNCC2)CNC3=O)ccn1)c1cccc(F)c1;KNKFHJYKSHDVBU-UHFFFAOYSA-N;419.46;2.83;56835141;;;CHEMBL1933171;GENER;EPAM;25;0;"<a href=https://www.ebi.ac.uk/chembl/assay_report_card/CHEMBL1937265/  target=_blank>CHEMBL1937265</a>";;;;;;;;;-6.22;;;;;;;;;;;;"Oubrie A, Kaptein A, de Zwart E, Hoogenboom N, Goorden R, van de Kar B, van Hoek M, de Kimpe V, van der Heijden R, Borsboom J, Kazemier B, de Roos J, Scheffers M, Lommerse J, Schultz-Fademrecht C, Barf T.: Novel ATP competitive MK2 inhibitors with potent biochemical and cell-based activity throughout the series. Bioorg Med Chem Lett, Volume 22 (1), 2012";ChEMBL
MM474419;MM474419;Cc1ccc(C(=O)Nc2cc(-c3cc4c([nH]3)C3(CCCNC3)CNC4=O)ccn2)cc1C;BAYAFUAQZUNFQN-UHFFFAOYSA-N;429.52;3.31;;;;;GENER;EPAM;25;0;"<a href=https://www.ebi.ac.uk/chembl/assay_report_card/CHEMBL1937265/  target=_blank>CHEMBL1937265</a>";;;;;;;;;-6;;;;;;;;;;;;"Oubrie A, Kaptein A, de Zwart E, Hoogenboom N, Goorden R, van de Kar B, van Hoek M, de Kimpe V, van der Heijden R, Borsboom J, Kazemier B, de Roos J, Scheffers M, Lommerse J, Schultz-Fademrecht C, Barf T.: Novel ATP competitive MK2 inhibitors with potent biochemical and cell-based activity throughout the series. Bioorg Med Chem Lett, Volume 22 (1), 2012";ChEMBL
MM473208;MM473208;O=C(c1cc2cc(Cl)ccc2[nH]1)N1C[C@]2(CCN(C3CCNC3)C2)c2ccccc21;SGBSKNKMLNQHSJ-VCUSLETLSA-N;420.94;3.79;;;;;GENER;EPAM;25;0;"<a href=https://www.ebi.ac.uk/chembl/assay_report_card/CHEMBL1935926/  target=_blank>CHEMBL1935926</a>";;;;;;;;;-7.52;;;;;;;;;;;;"Powell NA, Kohrt JT, Filipski KJ, Kaufman M, Sheehan D, Edmunds JE, Delaney A, Wang Y, Bourbonais F, Lee DY, Schwende F, Sun F, McConnell P, Catana C, Chen H, Ohren J, Perrin LA.: Novel and selective spiroindoline-based inhibitors of Sky kinase. Bioorg Med Chem Lett, Volume 22 (1), 2012";ChEMBL
MM473207;MM473207;CN1CCN(c2ccc(OC(F)(F)F)c(Nc3nccc(-c4cc(C(N)=O)cn4C)n3)c2)CC1;HGBZKLOZYQAERY-UHFFFAOYSA-N;475.48;2.98;54759168;;;CHEMBL1933576;GENER;EPAM;25;0;"<a href=https://www.ebi.ac.uk/chembl/assay_report_card/CHEMBL1936745/  target=_blank>CHEMBL1936745</a>";;;;;;;;;-4.3;;;;;;;;;;;;"Caruso M, Valsasina B, Ballinari D, Bertrand J, Brasca MG, Caldarelli M, Cappella P, Cappella P, Fiorentini F, Gianellini LM, Scolaro A, Beria I.: 5-(2-amino-pyrimidin-4-yl)-1H-pyrrole and 2-(2-amino-pyrimidin-4-yl)-1,5,6,7-tetrahydro-pyrrolo[3,2-c]pyridin-4-one derivatives as new classes of selective and orally available Polo-like kinase 1 inhibitors. Bioorg Med Chem Lett, Volume 22 (1), 2012";ChEMBL
MM473206;MM473206;CN1CCN(c2ccc(OC(F)(F)F)c(Nc3nccc(-c4cc5c(n4C)CCNC5=O)n3)c2)CC1;CYXABCVHENZAID-UHFFFAOYSA-N;501.51;3.16;25210579;;;CHEMBL1933582;GENER;EPAM;25;0;"<a href=https://www.ebi.ac.uk/chembl/assay_report_card/CHEMBL1936745/  target=_blank>CHEMBL1936745</a>";;;;;;;;;-5.24;;;;;;;;;;;;"Caruso M, Valsasina B, Ballinari D, Bertrand J, Brasca MG, Caldarelli M, Cappella P, Cappella P, Fiorentini F, Gianellini LM, Scolaro A, Beria I.: 5-(2-amino-pyrimidin-4-yl)-1H-pyrrole and 2-(2-amino-pyrimidin-4-yl)-1,5,6,7-tetrahydro-pyrrolo[3,2-c]pyridin-4-one derivatives as new classes of selective and orally available Polo-like kinase 1 inhibitors. Bioorg Med Chem Lett, Volume 22 (1), 2012";ChEMBL
MM471890;MM471890;O=c1[nH]c2cc(Br)ccc2c2nc(-c3ccccc3Cl)[nH]c12;;374.63;4.49;56834936;;;CHEMBL1934810;GENER;EPAM;25;0;"ph = 7.4, <a href=https://www.ebi.ac.uk/chembl/assay_report_card/CHEMBL2389921/  target=_blank>CHEMBL2389921</a>";;;;;;;;;-4.59;;;;;;;;;;;;"Shiro T, Kakiguchi K, Takahashi H, Nagata H, Tobe M.: 7-Phenyl-imidazoquinolin-4(5H)-one derivatives as selective and orally available mPGES-1 inhibitors. Bioorg Med Chem, Volume 21 (11), 2013";ChEMBL
MM472508;MM472508;CCS(=O)(=O)CCN(C(=O)Cc1ccc(C(F)(F)F)c(F)c1)C(C)c1nc2ncccc2c(=O)n1-c1ccc(F)cc1;IDDXXAWEEOXTID-QGZVFWFLSA-N;608.59;4.64;57400628;;;CHEMBL1939556;GENER;EPAM;25;0;"at ph 5 to 7.4, <a href=https://www.ebi.ac.uk/chembl/assay_report_card/CHEMBL1941411/  target=_blank>CHEMBL1941411</a>";;;;;;;;;-6.1;;;;;;;;;;;;"Chen X, Mihalic J, Deignan J, Gustin DJ, Duquette J, Du X, Chan J, Fu Z, Johnson M, Li AR, Henne K, Sullivan T, Lemon B, Ma J, Miao S, Tonn G, Collins T, Medina JC.: Discovery of potent and specific CXCR3 antagonists. Bioorg Med Chem Lett, Volume 22 (1), 2012";ChEMBL
MM471956;MM471956;CC(C)=CC[C@@]12OC(C)(C)[C@@H]3C[C@@H](C=C4C(=O)c5c(O)cccc5O[C@]431)C2=O;;380.44;3.76;;;;CHEMBL1958320;GENER;EPAM;25;0;"ph = 5, <a href=https://www.ebi.ac.uk/chembl/assay_report_card/CHEMBL3428736/  target=_blank>CHEMBL3428736</a>";;;;;;;;;-4.63;;;;;;;;;;;;"Wu Y, Hu M, Yang L, Li X, Bian J, Jiang F, Sun H, You Q, Zhang X.: Novel natural-product-like caged xanthones with improved druglike properties and in vivo antitumor potency. Bioorg Med Chem Lett, Volume 25 (12), 2015";ChEMBL
MM471956;MM471956;CC(C)=CC[C@@]12OC(C)(C)[C@@H]3C[C@@H](C=C4C(=O)c5c(O)cccc5O[C@]431)C2=O;;380.44;3.76;;;;CHEMBL1958320;GENER;EPAM;25;0;"ph = 6.2, <a href=https://www.ebi.ac.uk/chembl/assay_report_card/CHEMBL3428917/  target=_blank>CHEMBL3428917</a>";;;;;;;;;-4.59;;;;;;;;;;;;"Wu Y, Hu M, Yang L, Li X, Bian J, Jiang F, Sun H, You Q, Zhang X.: Novel natural-product-like caged xanthones with improved druglike properties and in vivo antitumor potency. Bioorg Med Chem Lett, Volume 25 (12), 2015";ChEMBL
MM471956;MM471956;CC(C)=CC[C@@]12OC(C)(C)[C@@H]3C[C@@H](C=C4C(=O)c5c(O)cccc5O[C@]431)C2=O;;380.44;3.76;;;;CHEMBL1958320;GENER;EPAM;25;0;"ph = 7.4, <a href=https://www.ebi.ac.uk/chembl/assay_report_card/CHEMBL3428918/  target=_blank>CHEMBL3428918</a>";;;;;;;;;-4.74;;;;;;;;;;;;"Wu Y, Hu M, Yang L, Li X, Bian J, Jiang F, Sun H, You Q, Zhang X.: Novel natural-product-like caged xanthones with improved druglike properties and in vivo antitumor potency. Bioorg Med Chem Lett, Volume 25 (12), 2015";ChEMBL
MM471841;MM471841;O=C(CCc1ccccc1)c1ccccc1OCC(O)CN1CCN(C(c2ccccc2)c2ccccc2)CC1;YRDBYJNFZJBXNY-UHFFFAOYSA-N;534.7;5.65;19958773;;;CHEMBL1962378;GENER;EPAM;25;0;"ph = 7.4, <a href=https://www.ebi.ac.uk/chembl/assay_report_card/CHEMBL2160416/  target=_blank>CHEMBL2160416</a>";;;;;;;;;-5.64;;;;;;;;;;;;"Lowes D, Pradhan A, Iyer LV, Parman T, Gow J, Zhu F, Furimsky A, Lemoff A, Guiguemde WA, Sigal M, Clark JA, Wilson E, Tang L, Connelly MC, Derisi JL, Kyle DE, Mirsalis J, Guy RK.: Lead optimization of antimalarial propafenone analogues. J Med Chem, Volume 55 (13), 2012";ChEMBL
MM471843;MM471843;O=C(CCc1ccccc1)c1ccccc1OCC(O)CN1CCC(c2ccccc2)CC1;ZHUPKALTWVLYNU-UHFFFAOYSA-N;443.59;5.12;;;;;GENER;EPAM;25;0;"ph = 7.4, <a href=https://www.ebi.ac.uk/chembl/assay_report_card/CHEMBL2160416/  target=_blank>CHEMBL2160416</a>";;;;;;;;;-3.31;;;;;;;;;;;;"Lowes D, Pradhan A, Iyer LV, Parman T, Gow J, Zhu F, Furimsky A, Lemoff A, Guiguemde WA, Sigal M, Clark JA, Wilson E, Tang L, Connelly MC, Derisi JL, Kyle DE, Mirsalis J, Guy RK.: Lead optimization of antimalarial propafenone analogues. J Med Chem, Volume 55 (13), 2012";ChEMBL
MM471842;MM471842;O=C(CCc1ccccc1)c1cc(F)ccc1OCC(O)CN1CCN(C(c2ccccc2)c2ccccc2)CC1;KTGYQSLCEGJTLM-UHFFFAOYSA-N;552.69;5.79;;;;;GENER;EPAM;25;0;"ph = 7.4, <a href=https://www.ebi.ac.uk/chembl/assay_report_card/CHEMBL2160416/  target=_blank>CHEMBL2160416</a>";;;;;;;;;-6.1;;;;;;;;;;;;"Lowes D, Pradhan A, Iyer LV, Parman T, Gow J, Zhu F, Furimsky A, Lemoff A, Guiguemde WA, Sigal M, Clark JA, Wilson E, Tang L, Connelly MC, Derisi JL, Kyle DE, Mirsalis J, Guy RK.: Lead optimization of antimalarial propafenone analogues. J Med Chem, Volume 55 (13), 2012";ChEMBL
MM473653;MM473653;COc1cccc(CNC(=O)c2ccc(-c3ccncc3)cc2)c1;JBLPUDJLELBRHC-UHFFFAOYSA-N;318.38;3.69;11537005;;;CHEMBL2006299;GENER;EPAM;25;0;"<a href=https://www.ebi.ac.uk/chembl/assay_report_card/CHEMBL4328672/  target=_blank>CHEMBL4328672</a>";;;;;;;;;-4.69;;;;;;;;;;;;"Hobson AD, Judge RA, Aguirre AL, Brown BS, Cui Y, Ding P, Dominguez E, DiGiammarino E, Egan DA, Freiberg GM, Gopalakrishnan SM, Harris CM, Honore MP, Kage KL, Kapecki NJ, Ling C, Ma J, Mack H, Mamo M, Maurus S, McRae B, Moore NS, Mueller BK, Mueller R, Namovic MT, Patel K, Pratt SD, Putman CB, Queeney KL, Sarris KK, Schaffter LM, Stoll V, Vasudevan A, Wang L, Wang L, Wirthl W, Yach K.: Identification of Selective Dual ROCK1 and ROCK2 Inhibitors Using Structure-Based Drug Design. J Med Chem, Volume 61 (24), 2018";ChEMBL
MM472599;MM472599;O=C(c1ccncc1)N1CCc2nc(-c3cc4cc(F)ccc4[nH]c3=O)[nH]c2C1;ZPOKSLXILOTPCR-UHFFFAOYSA-N;389.39;2.65;135980544;;;CHEMBL2016903;GENER;EPAM;25;0;"<a href=https://www.ebi.ac.uk/chembl/assay_report_card/CHEMBL2020690/  target=_blank>CHEMBL2020690</a>";;;;;;;;;-6.2;;;;;;;;;;;;"Han SY, Choi JW, Yang J, Chae CH, Lee J, Jung H, Lee K, Ha JD, Kim HR, Cho SY.: Design and synthesis of 3-(4,5,6,7-tetrahydro-3H-imidazo[4,5-c]pyridin-2-yl)-1H-quinolin-2-ones as VEGFR-2 kinase inhibitors. Bioorg Med Chem Lett, Volume 22 (8), 2012";ChEMBL
MM472600;MM472600;O=C(c1ccc(CN2CCCCC2)cc1)N1CCc2nc(-c3cc4cc(F)ccc4[nH]c3=O)[nH]c2C1;VDTAJUONJQNBDK-UHFFFAOYSA-N;485.56;4.24;135980546;;;CHEMBL2016905;GENER;EPAM;25;0;"<a href=https://www.ebi.ac.uk/chembl/assay_report_card/CHEMBL2020690/  target=_blank>CHEMBL2020690</a>";;;;;;;;;-6.8;;;;;;;;;;;;"Han SY, Choi JW, Yang J, Chae CH, Lee J, Jung H, Lee K, Ha JD, Kim HR, Cho SY.: Design and synthesis of 3-(4,5,6,7-tetrahydro-3H-imidazo[4,5-c]pyridin-2-yl)-1H-quinolin-2-ones as VEGFR-2 kinase inhibitors. Bioorg Med Chem Lett, Volume 22 (8), 2012";ChEMBL
MM473887;MM473887;O=C(O)c1cc(-c2ccc(CC(C(=O)c3ccccc3)c3ccccc3)cc2)no1;HBYWCGDPKWGHBS-UHFFFAOYSA-N;397.43;5.25;70681225;;;CHEMBL2017836;GENER;EPAM;25;0;"<a href=https://www.ebi.ac.uk/chembl/assay_report_card/CHEMBL2019338/  target=_blank>CHEMBL2019338</a>";;;;;;;;;-3.99;;;;;;;;;;;;"Basu S, Prasad UV, Barawkar DA, De S, Palle VP, Menon S, Patel M, Thorat S, Singh UP, Das Sarma K, Waman Y, Niranjan S, Pathade V, Gaur A, Reddy S, Ansari S.: Discovery of novel and potent heterocyclic carboxylic acid derivatives as protein tyrosine phosphatase 1B inhibitors. Bioorg Med Chem Lett, Volume 22 (8), 2012";ChEMBL
MM473888;MM473888;O=C(O)c1csc(-c2ccc(CC(C(=O)c3ccccc3)c3ccccc3)cc2)n1;XERPIZMHGPHYJL-UHFFFAOYSA-N;413.5;5.72;70689620;;;CHEMBL2017840;GENER;EPAM;25;0;"<a href=https://www.ebi.ac.uk/chembl/assay_report_card/CHEMBL2019338/  target=_blank>CHEMBL2019338</a>";;;;;;;;;-4.07;;;;;;;;;;;;"Basu S, Prasad UV, Barawkar DA, De S, Palle VP, Menon S, Patel M, Thorat S, Singh UP, Das Sarma K, Waman Y, Niranjan S, Pathade V, Gaur A, Reddy S, Ansari S.: Discovery of novel and potent heterocyclic carboxylic acid derivatives as protein tyrosine phosphatase 1B inhibitors. Bioorg Med Chem Lett, Volume 22 (8), 2012";ChEMBL
MM473889;MM473889;O=C(O)c1cc(-c2ccc(CC(C(=O)c3ccc(F)cc3)c3ccc(F)cc3)cc2)no1;ULDAZGFTUBQQKY-UHFFFAOYSA-N;433.41;5.53;70683307;;;CHEMBL2017846;GENER;EPAM;25;0;"<a href=https://www.ebi.ac.uk/chembl/assay_report_card/CHEMBL2019338/  target=_blank>CHEMBL2019338</a>";;;;;;;;;-5.1;;;;;;;;;;;;"Basu S, Prasad UV, Barawkar DA, De S, Palle VP, Menon S, Patel M, Thorat S, Singh UP, Das Sarma K, Waman Y, Niranjan S, Pathade V, Gaur A, Reddy S, Ansari S.: Discovery of novel and potent heterocyclic carboxylic acid derivatives as protein tyrosine phosphatase 1B inhibitors. Bioorg Med Chem Lett, Volume 22 (8), 2012";ChEMBL
MM473890;MM473890;O=C(O)c1cc(-c2ccc(CC(C(=O)c3ccc(F)c(F)c3)c3ccc(F)cc3)cc2)no1;JCAKEZHXEJRHOP-UHFFFAOYSA-N;451.4;5.67;70687556;;;CHEMBL2017847;GENER;EPAM;25;0;"<a href=https://www.ebi.ac.uk/chembl/assay_report_card/CHEMBL2019338/  target=_blank>CHEMBL2019338</a>";;;;;;;;;-4.8;;;;;;;;;;;;"Basu S, Prasad UV, Barawkar DA, De S, Palle VP, Menon S, Patel M, Thorat S, Singh UP, Das Sarma K, Waman Y, Niranjan S, Pathade V, Gaur A, Reddy S, Ansari S.: Discovery of novel and potent heterocyclic carboxylic acid derivatives as protein tyrosine phosphatase 1B inhibitors. Bioorg Med Chem Lett, Volume 22 (8), 2012";ChEMBL
MM473891;MM473891;O=C(O)c1cc(-c2ccc(CC(C(=O)c3ccc(Cl)cc3)c3ccc(F)c(F)c3)cc2)no1;ZVRIUVSYCXUPJZ-UHFFFAOYSA-N;467.86;6.18;57404470;;;CHEMBL2017848;GENER;EPAM;25;0;"<a href=https://www.ebi.ac.uk/chembl/assay_report_card/CHEMBL2019338/  target=_blank>CHEMBL2019338</a>";;;;;;;;;-3.77;;;;;;;;;;;;"Basu S, Prasad UV, Barawkar DA, De S, Palle VP, Menon S, Patel M, Thorat S, Singh UP, Das Sarma K, Waman Y, Niranjan S, Pathade V, Gaur A, Reddy S, Ansari S.: Discovery of novel and potent heterocyclic carboxylic acid derivatives as protein tyrosine phosphatase 1B inhibitors. Bioorg Med Chem Lett, Volume 22 (8), 2012";ChEMBL
MM473892;MM473892;O=C(O)c1cc(-c2ccc(CC(c3ccccc3)c3nc(-c4ccccc4)no3)cc2)no1;HBPZAUGQOBPKTH-UHFFFAOYSA-N;437.46;5.46;70693815;;;CHEMBL2017851;GENER;EPAM;25;0;"<a href=https://www.ebi.ac.uk/chembl/assay_report_card/CHEMBL2019338/  target=_blank>CHEMBL2019338</a>";;;;;;;;;-4.35;;;;;;;;;;;;"Basu S, Prasad UV, Barawkar DA, De S, Palle VP, Menon S, Patel M, Thorat S, Singh UP, Das Sarma K, Waman Y, Niranjan S, Pathade V, Gaur A, Reddy S, Ansari S.: Discovery of novel and potent heterocyclic carboxylic acid derivatives as protein tyrosine phosphatase 1B inhibitors. Bioorg Med Chem Lett, Volume 22 (8), 2012";ChEMBL
MM473893;MM473893;COc1ccc(-c2noc(C(Cc3ccc(-c4cc(C(=O)O)on4)cc3)c3ccc(F)cc3)n2)cc1;BXLPZCGGTVRQBF-UHFFFAOYSA-N;485.47;5.61;57404473;;;CHEMBL2017852;GENER;EPAM;25;0;"<a href=https://www.ebi.ac.uk/chembl/assay_report_card/CHEMBL2019338/  target=_blank>CHEMBL2019338</a>";;;;;;;;;-5.4;;;;;;;;;;;;"Basu S, Prasad UV, Barawkar DA, De S, Palle VP, Menon S, Patel M, Thorat S, Singh UP, Das Sarma K, Waman Y, Niranjan S, Pathade V, Gaur A, Reddy S, Ansari S.: Discovery of novel and potent heterocyclic carboxylic acid derivatives as protein tyrosine phosphatase 1B inhibitors. Bioorg Med Chem Lett, Volume 22 (8), 2012";ChEMBL
MM473894;MM473894;COc1ccc(C(Cc2ccc(-c3cc(C(=O)O)on3)cc2)c2nc(-c3ccc(Cl)cc3)no2)cc1;MZRTXTPBAYMJCA-UHFFFAOYSA-N;501.93;6.13;57404472;;;CHEMBL2017853;GENER;EPAM;25;0;"<a href=https://www.ebi.ac.uk/chembl/assay_report_card/CHEMBL2019338/  target=_blank>CHEMBL2019338</a>";;;;;;;;;-4.32;;;;;;;;;;;;"Basu S, Prasad UV, Barawkar DA, De S, Palle VP, Menon S, Patel M, Thorat S, Singh UP, Das Sarma K, Waman Y, Niranjan S, Pathade V, Gaur A, Reddy S, Ansari S.: Discovery of novel and potent heterocyclic carboxylic acid derivatives as protein tyrosine phosphatase 1B inhibitors. Bioorg Med Chem Lett, Volume 22 (8), 2012";ChEMBL
MM473895;MM473895;O=C(O)c1csc(-c2ccc(CC(c3ccc(F)cc3)c3nc(-c4cccc(F)c4)no3)cc2)n1;JTAHWKOBPUKTHD-UHFFFAOYSA-N;489.5;6.21;57404494;;;CHEMBL2017854;GENER;EPAM;25;0;"<a href=https://www.ebi.ac.uk/chembl/assay_report_card/CHEMBL2019338/  target=_blank>CHEMBL2019338</a>";;;;;;;;;-5;;;;;;;;;;;;"Basu S, Prasad UV, Barawkar DA, De S, Palle VP, Menon S, Patel M, Thorat S, Singh UP, Das Sarma K, Waman Y, Niranjan S, Pathade V, Gaur A, Reddy S, Ansari S.: Discovery of novel and potent heterocyclic carboxylic acid derivatives as protein tyrosine phosphatase 1B inhibitors. Bioorg Med Chem Lett, Volume 22 (8), 2012";ChEMBL
MM473896;MM473896;COc1ccc(C(Cc2ccc(-c3nc(C(=O)O)cs3)cc2)c2nc(-c3cccc(F)c3)no2)cc1;BQGLHEJGIKPTFZ-UHFFFAOYSA-N;501.54;6.08;57404495;;;CHEMBL2017855;GENER;EPAM;25;0;"<a href=https://www.ebi.ac.uk/chembl/assay_report_card/CHEMBL2019338/  target=_blank>CHEMBL2019338</a>";;;;;;;;;-5.22;;;;;;;;;;;;"Basu S, Prasad UV, Barawkar DA, De S, Palle VP, Menon S, Patel M, Thorat S, Singh UP, Das Sarma K, Waman Y, Niranjan S, Pathade V, Gaur A, Reddy S, Ansari S.: Discovery of novel and potent heterocyclic carboxylic acid derivatives as protein tyrosine phosphatase 1B inhibitors. Bioorg Med Chem Lett, Volume 22 (8), 2012";ChEMBL
MM474420;MM474420;COc1ccc2c(OC3CC4C(=O)NC5(C(=O)NS(=O)(=O)C6CC6)CC5C=CCCCCCC(OC(=O)n5ccnc5)C(=O)N4C3)cc(-c3nc(C(C)C)cs3)nc2c1C;PLCLUJHFSXHMPZ-JKYZPAQWSA-N;860.03;5.4;54670903;;;CHEMBL2018154;GENER;EPAM;25;0;"<a href=https://www.ebi.ac.uk/chembl/assay_report_card/CHEMBL2020007/  target=_blank>CHEMBL2020007</a>";;;;;;;;;-5.92;;;;;;;;;;;;"Duan M, Kazmierski W, Crosby R, Gartland M, Ji J, Tallant M, Wang A, Hamatake R, Wright L, Wu M, Zhang YK, Ding CZ, Li X, Liu Y, Zhang S, Zhou Y, Plattner JJ, Baker SJ.: Discovery of novel P3-oxo inhibitor of hepatitis C virus NS3/4A serine protease. Bioorg Med Chem Lett, Volume 22 (8), 2012";ChEMBL
MM473885;MM473885;NS(=O)(=O)c1ccc(CNc2nc(NCC(F)(F)F)c3nc(-c4ccc(NC(=O)C5CC5)cc4)ccc3n2)cc1;DOCVYUGZJCOCGS-UHFFFAOYSA-N;571.59;4.27;70683345;;;CHEMBL2018288;GENER;EPAM;25;0;"<a href=https://www.ebi.ac.uk/chembl/assay_report_card/CHEMBL2020375/  target=_blank>CHEMBL2020375</a>";;;;;;;;;-8.4;;;;;;;;;;;;"Lazerwith SE, Bahador G, Canales E, Cheng G, Chong L, Clarke MO, Doerffler E, Eisenberg EJ, Hayes J, Lu B, Liu Q, Matles M, Mertzman M, Mitchell ML, Morganelli P, Murray BP, Robinson M, Strickley RG, Tessler M, Tirunagari N, Wang J, Wang Y, Zhang JR, Zheng X, Zhong W, Watkins WJ.: Optimization of Pharmacokinetics through Manipulation of Physicochemical Properties in a Series of HCV Inhibitors. ACS Med Chem Lett, Volume 2 (10), 2011";ChEMBL
MM473886;MM473886;NS(=O)(=O)c1cc(CNc2nc(NCC(F)(F)F)c3nc(-c4ccc(NC(=O)C5(C(F)(F)F)CC5)cc4)ccc3n2)cc(C(F)(F)F)c1;TZCPEYHVSDZCOR-UHFFFAOYSA-N;707.58;6.23;70685449;;;CHEMBL2018289;GENER;EPAM;25;0;"<a href=https://www.ebi.ac.uk/chembl/assay_report_card/CHEMBL2020375/  target=_blank>CHEMBL2020375</a>";;;;;;;;;-7.05;;;;;;;;;;;;"Lazerwith SE, Bahador G, Canales E, Cheng G, Chong L, Clarke MO, Doerffler E, Eisenberg EJ, Hayes J, Lu B, Liu Q, Matles M, Mertzman M, Mitchell ML, Morganelli P, Murray BP, Robinson M, Strickley RG, Tessler M, Tirunagari N, Wang J, Wang Y, Zhang JR, Zheng X, Zhong W, Watkins WJ.: Optimization of Pharmacokinetics through Manipulation of Physicochemical Properties in a Series of HCV Inhibitors. ACS Med Chem Lett, Volume 2 (10), 2011";ChEMBL
Chembl2021600;MM467820;CC(Oc1ccc(S(C)(=O)=O)cc1C(=O)N1CCN(c2ncc(C(F)(F)F)cc2F)CC1)C(C)(C)C;QENXTKAMWKICNF-HNNXBMFYSA-N;531.57;4.42;44184875;;;CHEMBL2021600;GENER;EPAM;25;0;"<a href=https://www.ebi.ac.uk/chembl/assay_report_card/CHEMBL1177045/  target=_blank>CHEMBL1177045</a>";;;;;;;;;-5.49;;;;;;;;;;;;"Pinard E, Alanine A, Alberati D, Bender M, Borroni E, Bourdeaux P, Brom V, Burner S, Fischer H, Hainzl D, Halm R, Hauser N, Jolidon S, Lengyel J, Marty HP, Meyer T, Moreau JL, Mory R, Narquizian R, Nettekoven M, Norcross RD, Puellmann B, Schmid P, Schmitt S, Stalder H, Wermuth R, Wettstein JG, Zimmerli D.: Selective GlyT1 inhibitors: discovery of [4-(3-fluoro-5-trifluoromethylpyridin-2-yl)piperazin-1-yl][5-methanesulfonyl-2-((S)-2,2,2-trifluoro-1-methylethoxy)phenyl]methanone (RG1678), a promising novel medicine to treat schizophrenia. J Med Chem, Volume 53 (12), 2010";ChEMBL
MM473897;MM473897;NCCSC(c1ccccc1)(c1ccccc1)c1cccc(O)c1;ADYMGXUUCQNFFP-UHFFFAOYSA-N;335.47;4.38;57326779;;;CHEMBL2023005;GENER;EPAM;25;0;"<a href=https://www.ebi.ac.uk/chembl/assay_report_card/CHEMBL2024746/  target=_blank>CHEMBL2024746</a>";;;;;;;;;-4.78;;;;;;;;;;;;"Wang F, Good JA, Rath O, Kaan HY, Sutcliffe OB, Mackay SP, Kozielski F.: Triphenylbutanamines: kinesin spindle protein inhibitors with in vivo antitumor activity. J Med Chem, Volume 55 (4), 2012";ChEMBL
MM472034;MM472034;COC(=O)NC(C(=O)N1CCCC1c1ncc(-c2ccc(-c3ccc(-c4cnc(C5CCCN5C(=O)C(NC(=O)OC)C(C)C)[nH]4)cc3)cc2)[nH]1)C(C)C;FKRSSPOQAMALKA-CUPIEXAXSA-N;738.89;6.22;25154714;;;CHEMBL2023898;GENER;EPAM;25;0;"ph = 7.4, <a href=https://www.ebi.ac.uk/chembl/assay_report_card/CHEMBL3123748/  target=_blank>CHEMBL3123748</a>";;;;;;;;;-4.3;;;;;;;;;;;;"Belema M, Nguyen VN, Bachand C, Deon DH, Goodrich JT, James CA, Lavoie R, Lopez OD, Martel A, Romine JL, Ruediger EH, Snyder LB, St Laurent DR, Yang F, Zhu J, Wong HS, Langley DR, Adams SP, Cantor GH, Chimalakonda A, Fura A, Johnson BM, Knipe JO, Parker DD, Santone KS, Fridell RA, Lemm JA, O'Boyle DR, Colonno RJ, Gao M, Meanwell NA, Hamann LG.: Hepatitis C virus NS5A replication complex inhibitors: the discovery of daclatasvir. J Med Chem, Volume 57 (5), 2014";ChEMBL
MM473898;MM473898;NCCSC(c1ccccc1)(c1ccccc1)c1cccc(C(N)=O)c1;ZEAMYFNKGIBVEF-UHFFFAOYSA-N;362.5;3.77;57326878;;;CHEMBL2024125;GENER;EPAM;25;0;"<a href=https://www.ebi.ac.uk/chembl/assay_report_card/CHEMBL2024746/  target=_blank>CHEMBL2024746</a>";;;;;;;;;-4.37;;;;;;;;;;;;"Wang F, Good JA, Rath O, Kaan HY, Sutcliffe OB, Mackay SP, Kozielski F.: Triphenylbutanamines: kinesin spindle protein inhibitors with in vivo antitumor activity. J Med Chem, Volume 55 (4), 2012";ChEMBL
MM473932;MM473932;C1=CCOCc2cc(ccc2OCCN2CCCC2)Nc2nccc(n2)-c2cccc(c2)COC1;HWXVIOGONBBTBY-ONEGZZNKSA-N;472.59;4.47;46216796;;;CHEMBL2035187;GENER;EPAM;25;0;"<a href=https://www.ebi.ac.uk/chembl/assay_report_card/CHEMBL2183760/  target=_blank>CHEMBL2183760</a>";;;;;;;;;-5.03;;;;;;;;;;;;"William AD, Lee AC, Blanchard S, Poulsen A, Teo EL, Nagaraj H, Tan E, Chen D, Williams M, Sun ET, Goh KC, Ong WC, Goh SK, Hart S, Jayaraman R, Pasha MK, Ethirajulu K, Wood JM, Dymock BW.: Discovery of the macrocycle 11-(2-pyrrolidin-1-yl-ethoxy)-14,19-dioxa-5,7,26-triaza-tetracyclo[19.3.1.1(2,6).1(8,12)]heptacosa-1(25),2(26),3,5,8,10,12(27),16,21,23-decaene (SB1518), a potent Janus kinase 2/fms-like tyrosine kinase-3 (JAK2/FLT3) inhibitor for the treatment of myelofibrosis and lymphoma. J Med Chem, Volume 54 (13), 2011";ChEMBL
MM472159;MM472159;CNCc1cc(-c2ccccc2)n(S(=O)(=O)c2ccc(OC)cc2)c1;;356.45;3.12;46866596;;;CHEMBL2035455;GENER;EPAM;25;0;"ph = 5, <a href=https://www.ebi.ac.uk/chembl/assay_report_card/CHEMBL4021477/  target=_blank>CHEMBL4021477</a>";;;;;;;;;-4.7;;;;;;;;;;;;"Nishida H, Arikawa Y, Hirase K, Imaeda T, Inatomi N, Hori Y, Matsukawa J, Fujioka Y, Hamada T, Iida M, Nishitani M, Imanishi A, Fukui H, Itoh F, Kajino M.: Identification of a novel fluoropyrrole derivative as a potassium-competitive acid blocker with long duration of action. Bioorg Med Chem, Volume 25 (13), 2017";ChEMBL
MM472159;MM472159;CNCc1cc(-c2ccccc2)n(S(=O)(=O)c2ccc(OC)cc2)c1;;356.45;3.12;46866596;;;CHEMBL2035455;GENER;EPAM;25;0;"ph = 7.4, <a href=https://www.ebi.ac.uk/chembl/assay_report_card/CHEMBL4021476/  target=_blank>CHEMBL4021476</a>";;;;;;;;;-4.61;;;;;;;;;;;;"Nishida H, Arikawa Y, Hirase K, Imaeda T, Inatomi N, Hori Y, Matsukawa J, Fujioka Y, Hamada T, Iida M, Nishitani M, Imanishi A, Fukui H, Itoh F, Kajino M.: Identification of a novel fluoropyrrole derivative as a potassium-competitive acid blocker with long duration of action. Bioorg Med Chem, Volume 25 (13), 2017";ChEMBL
MM471460;MM471460;CC(C)[C@@H]1CC[C@]2(C(=O)O)CC[C@]3(C)[C@H](CC[C@@H]4[C@@]5(C)Cc6sc(N)nc6C(C)(C)[C@@H]5CC[C@]43C)[C@@H]12;RASMIZWADITSSW-NXEQSAOGSA-N;512.8;7.56;;;;;GENER;EPAM;25;0;"ph = 7.4, <a href=https://www.ebi.ac.uk/chembl/assay_report_card/CHEMBL4315699/  target=_blank>CHEMBL4315699</a>";;;;;;;;;-5.34;;;;;;;;;;;;"Borková L, Frydrych I, Jakubcová N, Adámek R, Lišková B, Gurská S, Medvedíková M, Hajdúch M, Urban M.: Synthesis and biological evaluation of triterpenoid thiazoles derived from betulonic acid, dihydrobetulonic acid, and ursonic acid. Eur J Med Chem, Volume 185, 2020";ChEMBL
MM474577;MM474577;CCN(CC)CCN(Cc1ccc(-c2ccc(C(F)(F)F)cc2)cc1)C(=O)Cn1c(SCc2ccc(F)cc2)nc(=O)c2c1CCC2;;666.79;7.22;9939609;;;CHEMBL204021;GENER;EPAM;25;0;"<a href=https://www.ebi.ac.uk/chembl/assay_report_card/CHEMBL3861800/  target=_blank>CHEMBL3861800</a>";;;;;;;;;-4.64;;;;;;;;;;;;"Woolford AJ, Day PJ, Bénéton V, Berdini V, Coyle JE, Dudit Y, Grondin P, Huet P, Lee LY, Manas ES, McMenamin RL, Murray CW, Page LW, Patel VK, Potvain F, Rich SJ, Sang Y, Somers DO, Trottet L, Wan Z, Zhang X.: Fragment-Based Approach to the Development of an Orally Bioavailable Lactam Inhibitor of Lipoprotein-Associated Phospholipase A2 (Lp-PLA<sub>2</sub>). J Med Chem, Volume 59 (23), 2016";ChEMBL
MM474577;MM474577;CCN(CC)CCN(Cc1ccc(-c2ccc(C(F)(F)F)cc2)cc1)C(=O)Cn1c(SCc2ccc(F)cc2)nc(=O)c2c1CCC2;;666.79;7.22;9939609;;;CHEMBL204021;GENER;EPAM;25;0;"<a href=https://www.ebi.ac.uk/chembl/assay_report_card/CHEMBL3871133/  target=_blank>CHEMBL3871133</a>";;;;;;;;;-4.64;;;;;;;;;;;;"Measom ND, Down KD, Hirst DJ, Jamieson C, Manas ES, Patel VK, Somers DO.: Investigation of a Bicyclo[1.1.1]pentane as a Phenyl Replacement within an LpPLA<sub>2</sub> Inhibitor. ACS Med Chem Lett, Volume 8 (1), 2017";ChEMBL
MM473899;MM473899;CC(Oc1cc(-c2cc(-c3cc(CN(C)C)cs3)cnc2N)ccc1C(N)=O)c1ccccc1C(F)(F)F;DNZGEPPZYMAFLN-UHFFFAOYSA-N;540.61;6.38;57386802;;;CHEMBL2042040;GENER;EPAM;25;0;"<a href=https://www.ebi.ac.uk/chembl/assay_report_card/CHEMBL2044863/  target=_blank>CHEMBL2044863</a>";;;;;;;;;-4.82;;;;;;;;;;;;"Innocenti P, Cheung KM, Solanki S, Mas-Droux C, Rowan F, Yeoh S, Boxall K, Westlake M, Pickard L, Hardy T, Baxter JE, Aherne GW, Bayliss R, Fry AM, Hoelder S.: Design of potent and selective hybrid inhibitors of the mitotic kinase Nek2: structure-activity relationship, structural biology, and cellular activity. J Med Chem, Volume 55 (7), 2012";ChEMBL
MM473900;MM473900;CC(C=CC(F)(F)F)Oc1cc(-c2cc(-c3cc(CN(C)C)cs3)cnc2N)ccc1C(N)=O;LLEOOSLUHRQCHZ-SREVYHEPSA-N;490.55;5.11;57386035;;;CHEMBL2042041;GENER;EPAM;25;0;"<a href=https://www.ebi.ac.uk/chembl/assay_report_card/CHEMBL2044863/  target=_blank>CHEMBL2044863</a>";;;;;;;;;-4.56;;;;;;;;;;;;"Innocenti P, Cheung KM, Solanki S, Mas-Droux C, Rowan F, Yeoh S, Boxall K, Westlake M, Pickard L, Hardy T, Baxter JE, Aherne GW, Bayliss R, Fry AM, Hoelder S.: Design of potent and selective hybrid inhibitors of the mitotic kinase Nek2: structure-activity relationship, structural biology, and cellular activity. J Med Chem, Volume 55 (7), 2012";ChEMBL
MM473901;MM473901;Cc1cc(N2CCOCC2)ccc1Nc1nc(NC2CCCCC2)c2[nH]cnc2n1;OVJBNYKNHXJGSA-UHFFFAOYSA-N;407.52;3.99;46909588;;;CHEMBL2047943;GENER;EPAM;25;0;"<a href=https://www.ebi.ac.uk/chembl/assay_report_card/CHEMBL2049898/  target=_blank>CHEMBL2049898</a>";;;;;;;;;-3.4;;;;;;;;;;;;"Vijay Kumar D, Hoarau C, Bursavich M, Slattum P, Gerrish D, Yager K, Saunders M, Shenderovich M, Roth BL, McKinnon R, Chan A, Cimbora DM, Bradford C, Reeves L, Patton S, Papac DI, Williams BL, Carlson RO.: Lead optimization of purine based orally bioavailable Mps1 (TTK) inhibitors. Bioorg Med Chem Lett, Volume 22 (13), 2012";ChEMBL
MM473902;MM473902;COc1cc(N2CCN(S(C)(=O)=O)CC2)ccc1Nc1nc(NC2CCCCC2)c2[nH]cnc2n1;UTMJODBGZJGLMG-UHFFFAOYSA-N;500.63;2.93;69180122;;;CHEMBL2047959;GENER;EPAM;25;0;"<a href=https://www.ebi.ac.uk/chembl/assay_report_card/CHEMBL2049898/  target=_blank>CHEMBL2049898</a>";;;;;;;;;-3.07;;;;;;;;;;;;"Vijay Kumar D, Hoarau C, Bursavich M, Slattum P, Gerrish D, Yager K, Saunders M, Shenderovich M, Roth BL, McKinnon R, Chan A, Cimbora DM, Bradford C, Reeves L, Patton S, Papac DI, Williams BL, Carlson RO.: Lead optimization of purine based orally bioavailable Mps1 (TTK) inhibitors. Bioorg Med Chem Lett, Volume 22 (13), 2012";ChEMBL
MM473903;MM473903;COc1cc(N2CCN(S(=O)(=O)CCCN3CCOCC3)CC2)ccc1Nc1nc(NC2CCCCC2)c2[nH]cnc2n1;QAURCZMNSYPBDT-UHFFFAOYSA-N;613.79;3.02;69181135;;;CHEMBL2047960;GENER;EPAM;25;0;"<a href=https://www.ebi.ac.uk/chembl/assay_report_card/CHEMBL2049898/  target=_blank>CHEMBL2049898</a>";;;;;;;;;-3.14;;;;;;;;;;;;"Vijay Kumar D, Hoarau C, Bursavich M, Slattum P, Gerrish D, Yager K, Saunders M, Shenderovich M, Roth BL, McKinnon R, Chan A, Cimbora DM, Bradford C, Reeves L, Patton S, Papac DI, Williams BL, Carlson RO.: Lead optimization of purine based orally bioavailable Mps1 (TTK) inhibitors. Bioorg Med Chem Lett, Volume 22 (13), 2012";ChEMBL
MM473904;MM473904;COc1cc(N2CCN(C(=O)C3CCC(O)CC3)CC2)ccc1Nc1nc(NC2CCCCC2)c2[nH]cnc2n1;SPODPLINVVTZLH-UHFFFAOYSA-N;548.69;4.05;70684108;;;CHEMBL2047961;GENER;EPAM;25;0;"<a href=https://www.ebi.ac.uk/chembl/assay_report_card/CHEMBL2049898/  target=_blank>CHEMBL2049898</a>";;;;;;;;;-4.09;;;;;;;;;;;;"Vijay Kumar D, Hoarau C, Bursavich M, Slattum P, Gerrish D, Yager K, Saunders M, Shenderovich M, Roth BL, McKinnon R, Chan A, Cimbora DM, Bradford C, Reeves L, Patton S, Papac DI, Williams BL, Carlson RO.: Lead optimization of purine based orally bioavailable Mps1 (TTK) inhibitors. Bioorg Med Chem Lett, Volume 22 (13), 2012";ChEMBL
MM473905;MM473905;CNC(=O)C(=O)N1CCN(c2ccc(Nc3nc(NC4CCCCC4)c4[nH]cnc4n3)c(OC)c2)CC1;GGDQYCPLGJVXCA-UHFFFAOYSA-N;507.6;2.24;70696648;;;CHEMBL2047963;GENER;EPAM;25;0;"<a href=https://www.ebi.ac.uk/chembl/assay_report_card/CHEMBL2049898/  target=_blank>CHEMBL2049898</a>";;;;;;;;;-3.01;;;;;;;;;;;;"Vijay Kumar D, Hoarau C, Bursavich M, Slattum P, Gerrish D, Yager K, Saunders M, Shenderovich M, Roth BL, McKinnon R, Chan A, Cimbora DM, Bradford C, Reeves L, Patton S, Papac DI, Williams BL, Carlson RO.: Lead optimization of purine based orally bioavailable Mps1 (TTK) inhibitors. Bioorg Med Chem Lett, Volume 22 (13), 2012";ChEMBL
MM473906;MM473906;COc1cc(N2CCN(Cc3ccccn3)CC2)ccc1Nc1nc(NC2CCCCC2)c2[nH]cnc2n1;MMBOXQXVTMVCCQ-UHFFFAOYSA-N;513.65;4.57;68749727;;;CHEMBL2047965;GENER;EPAM;25;0;"<a href=https://www.ebi.ac.uk/chembl/assay_report_card/CHEMBL2049898/  target=_blank>CHEMBL2049898</a>";;;;;;;;;-3.01;;;;;;;;;;;;"Vijay Kumar D, Hoarau C, Bursavich M, Slattum P, Gerrish D, Yager K, Saunders M, Shenderovich M, Roth BL, McKinnon R, Chan A, Cimbora DM, Bradford C, Reeves L, Patton S, Papac DI, Williams BL, Carlson RO.: Lead optimization of purine based orally bioavailable Mps1 (TTK) inhibitors. Bioorg Med Chem Lett, Volume 22 (13), 2012";ChEMBL
MM473907;MM473907;COc1cc(N2CCN(CC3CCOC3)CC2)ccc1Nc1nc(NC2CCCCC2)c2[nH]cnc2n1;OOKFETVTUPUMHG-UHFFFAOYSA-N;506.66;4.01;68525981;;;CHEMBL2047967;GENER;EPAM;25;0;"<a href=https://www.ebi.ac.uk/chembl/assay_report_card/CHEMBL2049898/  target=_blank>CHEMBL2049898</a>";;;;;;;;;-2.73;;;;;;;;;;;;"Vijay Kumar D, Hoarau C, Bursavich M, Slattum P, Gerrish D, Yager K, Saunders M, Shenderovich M, Roth BL, McKinnon R, Chan A, Cimbora DM, Bradford C, Reeves L, Patton S, Papac DI, Williams BL, Carlson RO.: Lead optimization of purine based orally bioavailable Mps1 (TTK) inhibitors. Bioorg Med Chem Lett, Volume 22 (13), 2012";ChEMBL
MM473908;MM473908;COc1cc(N2CCC(N3CCOCC3)CC2)ccc1Nc1nc(NC2CCCCC2)c2[nH]cnc2n1;CYWJZNCONMFGQE-UHFFFAOYSA-N;506.66;4.15;68756546;;;CHEMBL2047968;GENER;EPAM;25;0;"<a href=https://www.ebi.ac.uk/chembl/assay_report_card/CHEMBL2049898/  target=_blank>CHEMBL2049898</a>";;;;;;;;;-3.15;;;;;;;;;;;;"Vijay Kumar D, Hoarau C, Bursavich M, Slattum P, Gerrish D, Yager K, Saunders M, Shenderovich M, Roth BL, McKinnon R, Chan A, Cimbora DM, Bradford C, Reeves L, Patton S, Papac DI, Williams BL, Carlson RO.: Lead optimization of purine based orally bioavailable Mps1 (TTK) inhibitors. Bioorg Med Chem Lett, Volume 22 (13), 2012";ChEMBL
MM473909;MM473909;COc1cc(N2CCC(C(=O)N3CCOCC3)CC2)ccc1Nc1nc(NC2CCCCC2)c2[nH]cnc2n1;ZUPXMFKTLSYZDB-UHFFFAOYSA-N;534.67;3.92;68456113;;;CHEMBL2047970;GENER;EPAM;25;0;"<a href=https://www.ebi.ac.uk/chembl/assay_report_card/CHEMBL2049898/  target=_blank>CHEMBL2049898</a>";;;;;;;;;-3.13;;;;;;;;;;;;"Vijay Kumar D, Hoarau C, Bursavich M, Slattum P, Gerrish D, Yager K, Saunders M, Shenderovich M, Roth BL, McKinnon R, Chan A, Cimbora DM, Bradford C, Reeves L, Patton S, Papac DI, Williams BL, Carlson RO.: Lead optimization of purine based orally bioavailable Mps1 (TTK) inhibitors. Bioorg Med Chem Lett, Volume 22 (13), 2012";ChEMBL
MM473910;MM473910;COc1cc(N2CCC(CN3CCOCC3)CC2)ccc1Nc1nc(NC2CCCCC2)c2[nH]cnc2n1;OLOBPNVGBFMVHS-UHFFFAOYSA-N;520.68;4.4;68750996;;;CHEMBL2047971;GENER;EPAM;25;0;"<a href=https://www.ebi.ac.uk/chembl/assay_report_card/CHEMBL2049898/  target=_blank>CHEMBL2049898</a>";;;;;;;;;-2.68;;;;;;;;;;;;"Vijay Kumar D, Hoarau C, Bursavich M, Slattum P, Gerrish D, Yager K, Saunders M, Shenderovich M, Roth BL, McKinnon R, Chan A, Cimbora DM, Bradford C, Reeves L, Patton S, Papac DI, Williams BL, Carlson RO.: Lead optimization of purine based orally bioavailable Mps1 (TTK) inhibitors. Bioorg Med Chem Lett, Volume 22 (13), 2012";ChEMBL
MM473911;MM473911;COc1cc(N2CCC(CC(=O)N3CCOCC3)CC2)ccc1Nc1nc(NC2CCCCC2)c2[nH]cnc2n1;YLVRGBXUNULPFD-UHFFFAOYSA-N;548.69;4.32;69181497;;;CHEMBL2047972;GENER;EPAM;25;0;"<a href=https://www.ebi.ac.uk/chembl/assay_report_card/CHEMBL2049898/  target=_blank>CHEMBL2049898</a>";;;;;;;;;-3.39;;;;;;;;;;;;"Vijay Kumar D, Hoarau C, Bursavich M, Slattum P, Gerrish D, Yager K, Saunders M, Shenderovich M, Roth BL, McKinnon R, Chan A, Cimbora DM, Bradford C, Reeves L, Patton S, Papac DI, Williams BL, Carlson RO.: Lead optimization of purine based orally bioavailable Mps1 (TTK) inhibitors. Bioorg Med Chem Lett, Volume 22 (13), 2012";ChEMBL
MM473912;MM473912;COc1cc(N2CCC(CC(=O)N3CCN(C)CC3)CC2)ccc1Nc1nc(NC2CCCCC2)c2[nH]cnc2n1;ZBPLIYROBQPFCH-UHFFFAOYSA-N;561.74;4.23;70688373;;;CHEMBL2048078;GENER;EPAM;25;0;"<a href=https://www.ebi.ac.uk/chembl/assay_report_card/CHEMBL2049898/  target=_blank>CHEMBL2049898</a>";;;;;;;;;-3.28;;;;;;;;;;;;"Vijay Kumar D, Hoarau C, Bursavich M, Slattum P, Gerrish D, Yager K, Saunders M, Shenderovich M, Roth BL, McKinnon R, Chan A, Cimbora DM, Bradford C, Reeves L, Patton S, Papac DI, Williams BL, Carlson RO.: Lead optimization of purine based orally bioavailable Mps1 (TTK) inhibitors. Bioorg Med Chem Lett, Volume 22 (13), 2012";ChEMBL
MM473913;MM473913;CCN(CC)CC1CCN(c2ccc(Nc3nc(NC4CCCCC4)c4[nH]cnc4n3)c(OC)c2)CC1;NBRIVFGOERIQOU-UHFFFAOYSA-N;506.7;5.41;70686252;;;CHEMBL2048079;GENER;EPAM;25;0;"<a href=https://www.ebi.ac.uk/chembl/assay_report_card/CHEMBL2049898/  target=_blank>CHEMBL2049898</a>";;;;;;;;;-3.32;;;;;;;;;;;;"Vijay Kumar D, Hoarau C, Bursavich M, Slattum P, Gerrish D, Yager K, Saunders M, Shenderovich M, Roth BL, McKinnon R, Chan A, Cimbora DM, Bradford C, Reeves L, Patton S, Papac DI, Williams BL, Carlson RO.: Lead optimization of purine based orally bioavailable Mps1 (TTK) inhibitors. Bioorg Med Chem Lett, Volume 22 (13), 2012";ChEMBL
MM473914;MM473914;COc1cc(N2CCC(CC(=O)N3CCCC3)CC2)ccc1Nc1nc(NC2CCCCC2)c2[nH]cnc2n1;VLNLMCUDDYHMLI-UHFFFAOYSA-N;532.69;5.08;69180323;;;CHEMBL2048081;GENER;EPAM;25;0;"<a href=https://www.ebi.ac.uk/chembl/assay_report_card/CHEMBL2049898/  target=_blank>CHEMBL2049898</a>";;;;;;;;;-2.77;;;;;;;;;;;;"Vijay Kumar D, Hoarau C, Bursavich M, Slattum P, Gerrish D, Yager K, Saunders M, Shenderovich M, Roth BL, McKinnon R, Chan A, Cimbora DM, Bradford C, Reeves L, Patton S, Papac DI, Williams BL, Carlson RO.: Lead optimization of purine based orally bioavailable Mps1 (TTK) inhibitors. Bioorg Med Chem Lett, Volume 22 (13), 2012";ChEMBL
MM473675;MM473675;CC(C)CC1NC(=O)C(C(C)C)NC(=O)C(Cc2ccc(O)cc2)N(C)C(=O)C(Cc2ccccc2)NC(=O)CN(C)C(=O)C2CCCN2C(=O)C(Cc2ccccc2)N(C)C1=O;OBPKNQFZNTVEGQ-AWTCUSSHSA-N;866.07;2.69;60155059;;;CHEMBL2063003;GENER;EPAM;25;0;"<a href=https://www.ebi.ac.uk/chembl/assay_report_card/CHEMBL4328889/  target=_blank>CHEMBL4328889</a>";;;;;;;;;-5.72;;;;;;;;;;;;"Naylor MR, Ly AM, Handford MJ, Ramos DP, Pye CR, Furukawa A, Klein VG, Noland RP, Edmondson Q, Turmon AC, Hewitt WM, Schwochert J, Townsend CE, Kelly CN, Blanco MJ, Lokey RS.: Lipophilic Permeability Efficiency Reconciles the Opposing Roles of Lipophilicity in Membrane Permeability and Aqueous Solubility. J Med Chem, Volume 61 (24), 2018";ChEMBL
MM472015;MM472015;O=C(OC1CCC(c2cccc(F)c2F)Cc2cccnc21)N1CCC(n2c(=O)[nH]c3ncccc32)CC1;;519.55;5.03;46174937;;;CHEMBL2063115;GENER;EPAM;25;0;"ph = 5.5, <a href=https://www.ebi.ac.uk/chembl/assay_report_card/CHEMBL2065552/  target=_blank>CHEMBL2065552</a>";;;;;;;;;-3.82;;;;;;;;;;;;"Luo G, Chen L, Conway CM, Denton R, Keavy D, Gulianello M, Huang Y, Kostich W, Lentz KA, Mercer SE, Schartman R, Signor L, Browning M, Macor JE, Dubowchik GM.: Discovery of BMS-846372, a Potent and Orally Active Human CGRP Receptor Antagonist for the Treatment of Migraine. ACS Med Chem Lett, Volume 3 (4), 2012";ChEMBL
MM472015;MM472015;O=C(OC1CCC(c2cccc(F)c2F)Cc2cccnc21)N1CCC(n2c(=O)[nH]c3ncccc32)CC1;;519.55;5.03;46174937;;;CHEMBL2063115;GENER;EPAM;25;0;"ph = 7.4, <a href=https://www.ebi.ac.uk/chembl/assay_report_card/CHEMBL2065553/  target=_blank>CHEMBL2065553</a>";;;;;;;;;-4.06;;;;;;;;;;;;"Luo G, Chen L, Conway CM, Denton R, Keavy D, Gulianello M, Huang Y, Kostich W, Lentz KA, Mercer SE, Schartman R, Signor L, Browning M, Macor JE, Dubowchik GM.: Discovery of BMS-846372, a Potent and Orally Active Human CGRP Receptor Antagonist for the Treatment of Migraine. ACS Med Chem Lett, Volume 3 (4), 2012";ChEMBL
MM472601;MM472601;OCC1OC(Oc2ccc(-n3ccc4ccccc43)cc2Cl)C(O)C(O)C1O;SKSGPURFSNZUCC-SLHNCBLASA-N;405.83;1.46;53251632;;;CHEMBL2064304;GENER;EPAM;25;0;"<a href=https://www.ebi.ac.uk/chembl/assay_report_card/CHEMBL2067382/  target=_blank>CHEMBL2067382</a>";;;;;;;;;-4.7;;;;;;;;;;;;"Jiang X, Abgottspon D, Kleeb S, Rabbani S, Scharenberg M, Wittwer M, Haug M, Schwardt O, Ernst B.: Antiadhesion therapy for urinary tract infections--a balanced PK/PD profile proved to be key for success. J Med Chem, Volume 55 (10), 2012";ChEMBL
MM472602;MM472602;O=[N+]([O-])c1ccc2c(ccn2-c2ccc(O[C@H]3O[C@H](CO)[C@@H](O)[C@H](O)[C@@H]3O)c(Cl)c2)c1;YNFVHIZGXLTKPH-SLHNCBLASA-N;450.83;1.37;;;;;GENER;EPAM;25;+1,-1;"<a href=https://www.ebi.ac.uk/chembl/assay_report_card/CHEMBL2067382/  target=_blank>CHEMBL2067382</a>";;;;;;;;;-4.9;;;;;;;;;;;;"Jiang X, Abgottspon D, Kleeb S, Rabbani S, Scharenberg M, Wittwer M, Haug M, Schwardt O, Ernst B.: Antiadhesion therapy for urinary tract infections--a balanced PK/PD profile proved to be key for success. J Med Chem, Volume 55 (10), 2012";ChEMBL
MM472603;MM472603;COc1ccc2c(ccn2-c2ccc(OC3OC(CO)C(O)C(O)C3O)c(Cl)c2)c1;QNLHXKRFGWUNLX-MJCUULBUSA-N;435.86;1.47;57523311;;;CHEMBL2064306;GENER;EPAM;25;0;"<a href=https://www.ebi.ac.uk/chembl/assay_report_card/CHEMBL2067382/  target=_blank>CHEMBL2067382</a>";;;;;;;;;-4.6;;;;;;;;;;;;"Jiang X, Abgottspon D, Kleeb S, Rabbani S, Scharenberg M, Wittwer M, Haug M, Schwardt O, Ernst B.: Antiadhesion therapy for urinary tract infections--a balanced PK/PD profile proved to be key for success. J Med Chem, Volume 55 (10), 2012";ChEMBL
MM472604;MM472604;OCC1OC(Oc2ccc(-n3ccc4cc(C(F)(F)F)ccc43)cc2Cl)C(O)C(O)C1O;KKQPGSKTYRQUAW-SLHNCBLASA-N;473.83;2.48;57523281;;;CHEMBL2064308;GENER;EPAM;25;0;"<a href=https://www.ebi.ac.uk/chembl/assay_report_card/CHEMBL2067382/  target=_blank>CHEMBL2067382</a>";;;;;;;;;-4.6;;;;;;;;;;;;"Jiang X, Abgottspon D, Kleeb S, Rabbani S, Scharenberg M, Wittwer M, Haug M, Schwardt O, Ernst B.: Antiadhesion therapy for urinary tract infections--a balanced PK/PD profile proved to be key for success. J Med Chem, Volume 55 (10), 2012";ChEMBL
MM472605;MM472605;OCC1OC(Oc2ccc(-n3ccc4ccccc43)cc2F)C(O)C(O)C1O;WHJGBKFQVQSSIE-SLHNCBLASA-N;389.38;0.95;53251628;;;CHEMBL2064309;GENER;EPAM;25;0;"<a href=https://www.ebi.ac.uk/chembl/assay_report_card/CHEMBL2067382/  target=_blank>CHEMBL2067382</a>";;;;;;;;;-4.7;;;;;;;;;;;;"Jiang X, Abgottspon D, Kleeb S, Rabbani S, Scharenberg M, Wittwer M, Haug M, Schwardt O, Ernst B.: Antiadhesion therapy for urinary tract infections--a balanced PK/PD profile proved to be key for success. J Med Chem, Volume 55 (10), 2012";ChEMBL
MM472606;MM472606;O=[N+]([O-])c1ccc2c(ccn2-c2ccc(O[C@H]3O[C@H](CO)[C@@H](O)[C@H](O)[C@@H]3O)c(F)c2)c1;BADAVYFNSYCZFA-SLHNCBLASA-N;434.38;0.86;;;;;GENER;EPAM;25;+1,-1;"<a href=https://www.ebi.ac.uk/chembl/assay_report_card/CHEMBL2067382/  target=_blank>CHEMBL2067382</a>";;;;;;;;;-5.4;;;;;;;;;;;;"Jiang X, Abgottspon D, Kleeb S, Rabbani S, Scharenberg M, Wittwer M, Haug M, Schwardt O, Ernst B.: Antiadhesion therapy for urinary tract infections--a balanced PK/PD profile proved to be key for success. J Med Chem, Volume 55 (10), 2012";ChEMBL
MM472607;MM472607;COC(=O)c1ccc2c(ccn2-c2ccc(OC3OC(CO)C(O)C(O)C3O)c(Cl)c2)c1;ZNKLGBURSBJNQW-KOVVAJLHSA-N;463.87;1.25;57523313;;;CHEMBL2064313;GENER;EPAM;25;0;"<a href=https://www.ebi.ac.uk/chembl/assay_report_card/CHEMBL2067382/  target=_blank>CHEMBL2067382</a>";;;;;;;;;-4.4;;;;;;;;;;;;"Jiang X, Abgottspon D, Kleeb S, Rabbani S, Scharenberg M, Wittwer M, Haug M, Schwardt O, Ernst B.: Antiadhesion therapy for urinary tract infections--a balanced PK/PD profile proved to be key for success. J Med Chem, Volume 55 (10), 2012";ChEMBL
MM472608;MM472608;O=C(Nc1ccc2c(ccn2-c2ccc(OC3OC(CO)C(O)C(O)C3O)c(Cl)c2)c1)c1ccc(Cl)cc1;HWJOBOGLYPEBPF-RYIFMDQWSA-N;559.4;3.37;57523342;;;CHEMBL2064315;GENER;EPAM;25;0;"<a href=https://www.ebi.ac.uk/chembl/assay_report_card/CHEMBL2067382/  target=_blank>CHEMBL2067382</a>";;;;;;;;;-6;;;;;;;;;;;;"Jiang X, Abgottspon D, Kleeb S, Rabbani S, Scharenberg M, Wittwer M, Haug M, Schwardt O, Ernst B.: Antiadhesion therapy for urinary tract infections--a balanced PK/PD profile proved to be key for success. J Med Chem, Volume 55 (10), 2012";ChEMBL
MM472609;MM472609;OCC1OC(Oc2ccc(-n3ccc4cc(Cl)cnc43)cc2Cl)C(O)C(O)C1O;BWQNLPNXSSURIV-GJGATLCTSA-N;441.27;1.51;57523372;;;CHEMBL2064317;GENER;EPAM;25;0;"<a href=https://www.ebi.ac.uk/chembl/assay_report_card/CHEMBL2067382/  target=_blank>CHEMBL2067382</a>";;;;;;;;;-5;;;;;;;;;;;;"Jiang X, Abgottspon D, Kleeb S, Rabbani S, Scharenberg M, Wittwer M, Haug M, Schwardt O, Ernst B.: Antiadhesion therapy for urinary tract infections--a balanced PK/PD profile proved to be key for success. J Med Chem, Volume 55 (10), 2012";ChEMBL
MM472610;MM472610;N#Cc1cnc2c(ccn2-c2ccc(OC3OC(CO)C(O)C(O)C3O)c(Cl)c2)c1;AKHFFJWFGLOXKJ-JGLNRKDHSA-N;431.83;0.73;53251476;;;CHEMBL2064318;GENER;EPAM;25;0;"<a href=https://www.ebi.ac.uk/chembl/assay_report_card/CHEMBL2067382/  target=_blank>CHEMBL2067382</a>";;;;;;;;;-6.3;;;;;;;;;;;;"Jiang X, Abgottspon D, Kleeb S, Rabbani S, Scharenberg M, Wittwer M, Haug M, Schwardt O, Ernst B.: Antiadhesion therapy for urinary tract infections--a balanced PK/PD profile proved to be key for success. J Med Chem, Volume 55 (10), 2012";ChEMBL
MM472611;MM472611;O=[N+]([O-])c1ccc2c(c1)CCN2c1ccc(O[C@H]2O[C@H](CO)[C@@H](O)[C@H](O)[C@@H]2O)cc1;MEIFDXGRVDAGAQ-SLHNCBLASA-N;418.4;0.47;;;;;GENER;EPAM;25;+1,-1;"<a href=https://www.ebi.ac.uk/chembl/assay_report_card/CHEMBL2067382/  target=_blank>CHEMBL2067382</a>";;;;;;;;;-5.5;;;;;;;;;;;;"Jiang X, Abgottspon D, Kleeb S, Rabbani S, Scharenberg M, Wittwer M, Haug M, Schwardt O, Ernst B.: Antiadhesion therapy for urinary tract infections--a balanced PK/PD profile proved to be key for success. J Med Chem, Volume 55 (10), 2012";ChEMBL
MM472612;MM472612;OCC1OC(Oc2ccc(N3CCc4ccccc43)cc2)C(O)C(O)C1O;IOBXHNSCPVURKM-SLHNCBLASA-N;373.41;0.56;57523404;;;CHEMBL2064320;GENER;EPAM;25;0;"<a href=https://www.ebi.ac.uk/chembl/assay_report_card/CHEMBL2067382/  target=_blank>CHEMBL2067382</a>";;;;;;;;;-4.7;;;;;;;;;;;;"Jiang X, Abgottspon D, Kleeb S, Rabbani S, Scharenberg M, Wittwer M, Haug M, Schwardt O, Ernst B.: Antiadhesion therapy for urinary tract infections--a balanced PK/PD profile proved to be key for success. J Med Chem, Volume 55 (10), 2012";ChEMBL
MM472613;MM472613;O=[N+]([O-])c1ccc2c(c1)CCN2c1ccc(O[C@H]2O[C@H](CO)[C@@H](O)[C@H](O)[C@@H]2O)c(Cl)c1;KHYNEPHVUCNPRU-SLHNCBLASA-N;452.85;1.12;;;;;GENER;EPAM;25;+1,-1;"<a href=https://www.ebi.ac.uk/chembl/assay_report_card/CHEMBL2067382/  target=_blank>CHEMBL2067382</a>";;;;;;;;;-5.7;;;;;;;;;;;;"Jiang X, Abgottspon D, Kleeb S, Rabbani S, Scharenberg M, Wittwer M, Haug M, Schwardt O, Ernst B.: Antiadhesion therapy for urinary tract infections--a balanced PK/PD profile proved to be key for success. J Med Chem, Volume 55 (10), 2012";ChEMBL
MM472614;MM472614;OCC1OC(Oc2ccc(N3CCc4ccccc43)cc2Cl)C(O)C(O)C1O;ANUJCWSZZGCCLL-SLHNCBLASA-N;407.85;1.21;57523406;;;CHEMBL2064322;GENER;EPAM;25;0;"<a href=https://www.ebi.ac.uk/chembl/assay_report_card/CHEMBL2067382/  target=_blank>CHEMBL2067382</a>";;;;;;;;;-4.6;;;;;;;;;;;;"Jiang X, Abgottspon D, Kleeb S, Rabbani S, Scharenberg M, Wittwer M, Haug M, Schwardt O, Ernst B.: Antiadhesion therapy for urinary tract infections--a balanced PK/PD profile proved to be key for success. J Med Chem, Volume 55 (10), 2012";ChEMBL
MM472615;MM472615;Cn1cnc2cc(-c3ccc(OC4OC(CO)C(O)C(O)C4O)c(Cl)c3)cnc21;NXBVNPBWHAXFHJ-GJGATLCTSA-N;421.84;0.47;57523434;;;CHEMBL2064325;GENER;EPAM;25;0;"<a href=https://www.ebi.ac.uk/chembl/assay_report_card/CHEMBL2067382/  target=_blank>CHEMBL2067382</a>";;;;;;;;;-8;;;;;;;;;;;;"Jiang X, Abgottspon D, Kleeb S, Rabbani S, Scharenberg M, Wittwer M, Haug M, Schwardt O, Ernst B.: Antiadhesion therapy for urinary tract infections--a balanced PK/PD profile proved to be key for success. J Med Chem, Volume 55 (10), 2012";ChEMBL
MM471823;MM471823;CCCN(C(=O)c1csc(-c2ccc(S(C)(=O)=O)c([N+](=O)[O-])c2)n1)c1ccccc1;ZBADBMWRFHNYLK-UHFFFAOYSA-N;445.52;4.18;;;;;GENER;EPAM;25;+1,-1;"ph = 7.4, <a href=https://www.ebi.ac.uk/chembl/assay_report_card/CHEMBL2072985/  target=_blank>CHEMBL2072985</a>";;;;;;;;;-2.79;;;;;;;;;;;;"Hwang JY, Attia RR, Zhu F, Yang L, Lemoff A, Jeffries C, Connelly MC, Guy RK.: Synthesis and evaluation of sulfonylnitrophenylthiazoles (SNPTs) as thyroid hormone receptor-coactivator interaction inhibitors. J Med Chem, Volume 55 (5), 2012";ChEMBL
MM471822;MM471822;Cc1nc(-c2ccc(S(C)(=O)=O)c([N+](=O)[O-])c2)sc1C(=O)N1CCC(C)CC1;AGTYNNFZJCDCDY-UHFFFAOYSA-N;423.52;3.3;;;;;GENER;EPAM;25;+1,-1;"ph = 7.4, <a href=https://www.ebi.ac.uk/chembl/assay_report_card/CHEMBL2072985/  target=_blank>CHEMBL2072985</a>";;;;;;;;;-3.04;;;;;;;;;;;;"Hwang JY, Attia RR, Zhu F, Yang L, Lemoff A, Jeffries C, Connelly MC, Guy RK.: Synthesis and evaluation of sulfonylnitrophenylthiazoles (SNPTs) as thyroid hormone receptor-coactivator interaction inhibitors. J Med Chem, Volume 55 (5), 2012";ChEMBL
MM471821;MM471821;Cc1nc(-c2ccc(S(C)(=O)=O)c([N+](=O)[O-])c2)sc1C(=O)N1CC2(C)CC1CC(C)(C)C2;YGULJBMUJUDJHX-UHFFFAOYSA-N;477.61;4.47;;;;;GENER;EPAM;25;+1,-1;"ph = 7.4, <a href=https://www.ebi.ac.uk/chembl/assay_report_card/CHEMBL2072985/  target=_blank>CHEMBL2072985</a>";;;;;;;;;-2.85;;;;;;;;;;;;"Hwang JY, Attia RR, Zhu F, Yang L, Lemoff A, Jeffries C, Connelly MC, Guy RK.: Synthesis and evaluation of sulfonylnitrophenylthiazoles (SNPTs) as thyroid hormone receptor-coactivator interaction inhibitors. J Med Chem, Volume 55 (5), 2012";ChEMBL
MM471820;MM471820;CC1Cc2ccccc2N1C(=O)c1sc(-c2ccc(S(C)(=O)=O)c([N+](=O)[O-])c2)nc1C(F)(F)F;MMLDRBOVCKDBGS-UHFFFAOYSA-N;511.5;4.73;;;;;GENER;EPAM;25;+1,-1;"ph = 7.4, <a href=https://www.ebi.ac.uk/chembl/assay_report_card/CHEMBL2072985/  target=_blank>CHEMBL2072985</a>";;;;;;;;;-4.37;;;;;;;;;;;;"Hwang JY, Attia RR, Zhu F, Yang L, Lemoff A, Jeffries C, Connelly MC, Guy RK.: Synthesis and evaluation of sulfonylnitrophenylthiazoles (SNPTs) as thyroid hormone receptor-coactivator interaction inhibitors. J Med Chem, Volume 55 (5), 2012";ChEMBL
MM471819;MM471819;CS(=O)(=O)c1ccc(-c2nc(C(F)(F)F)c(C(=O)N3CCc4ccccc4C3)s2)cc1[N+](=O)[O-];SWTPJUPXZUBXRV-UHFFFAOYSA-N;511.5;4.34;;;;;GENER;EPAM;25;+1,-1;"ph = 7.4, <a href=https://www.ebi.ac.uk/chembl/assay_report_card/CHEMBL2072985/  target=_blank>CHEMBL2072985</a>";;;;;;;;;-4.08;;;;;;;;;;;;"Hwang JY, Attia RR, Zhu F, Yang L, Lemoff A, Jeffries C, Connelly MC, Guy RK.: Synthesis and evaluation of sulfonylnitrophenylthiazoles (SNPTs) as thyroid hormone receptor-coactivator interaction inhibitors. J Med Chem, Volume 55 (5), 2012";ChEMBL
MM471818;MM471818;CN(Cc1ccccc1F)C(=O)c1sc(-c2ccc(S(C)(=O)=O)c([N+](=O)[O-])c2)nc1C(F)(F)F;IHFHAQSESDTDBV-UHFFFAOYSA-N;517.48;4.55;;;;;GENER;EPAM;25;+1,-1;"ph = 7.4, <a href=https://www.ebi.ac.uk/chembl/assay_report_card/CHEMBL2072985/  target=_blank>CHEMBL2072985</a>";;;;;;;;;-3.66;;;;;;;;;;;;"Hwang JY, Attia RR, Zhu F, Yang L, Lemoff A, Jeffries C, Connelly MC, Guy RK.: Synthesis and evaluation of sulfonylnitrophenylthiazoles (SNPTs) as thyroid hormone receptor-coactivator interaction inhibitors. J Med Chem, Volume 55 (5), 2012";ChEMBL
MM471817;MM471817;CN(Cc1ccccc1)C(=O)c1sc(-c2ccc(S(C)(=O)=O)c([N+](=O)[O-])c2)nc1C(F)(F)F;OAFVIBMMYOJKFW-UHFFFAOYSA-N;499.49;4.41;;;;;GENER;EPAM;25;+1,-1;"ph = 7.4, <a href=https://www.ebi.ac.uk/chembl/assay_report_card/CHEMBL2072985/  target=_blank>CHEMBL2072985</a>";;;;;;;;;-2.82;;;;;;;;;;;;"Hwang JY, Attia RR, Zhu F, Yang L, Lemoff A, Jeffries C, Connelly MC, Guy RK.: Synthesis and evaluation of sulfonylnitrophenylthiazoles (SNPTs) as thyroid hormone receptor-coactivator interaction inhibitors. J Med Chem, Volume 55 (5), 2012";ChEMBL
MM471807;MM471807;CC1CCN(C(=O)c2sc(-c3ccc(S(C)(=O)=O)c([N+](=O)[O-])c3)nc2C(F)(F)F)CC1;ADOIUCPAWXGJSR-UHFFFAOYSA-N;477.49;4.01;;;;;GENER;EPAM;25;+1,-1;"ph = 7.4, <a href=https://www.ebi.ac.uk/chembl/assay_report_card/CHEMBL2072985/  target=_blank>CHEMBL2072985</a>";;;;;;;;;-3.15;;;;;;;;;;;;"Hwang JY, Attia RR, Zhu F, Yang L, Lemoff A, Jeffries C, Connelly MC, Guy RK.: Synthesis and evaluation of sulfonylnitrophenylthiazoles (SNPTs) as thyroid hormone receptor-coactivator interaction inhibitors. J Med Chem, Volume 55 (5), 2012";ChEMBL
MM471808;MM471808;CS(=O)(=O)c1ccc(-c2nc(C(F)(F)F)c(C(=O)N3CCCCC3)s2)cc1[N+](=O)[O-];SUEICZCJKXGOAJ-UHFFFAOYSA-N;463.46;3.77;;;;;GENER;EPAM;25;+1,-1;"ph = 7.4, <a href=https://www.ebi.ac.uk/chembl/assay_report_card/CHEMBL2072985/  target=_blank>CHEMBL2072985</a>";;;;;;;;;-3.1;;;;;;;;;;;;"Hwang JY, Attia RR, Zhu F, Yang L, Lemoff A, Jeffries C, Connelly MC, Guy RK.: Synthesis and evaluation of sulfonylnitrophenylthiazoles (SNPTs) as thyroid hormone receptor-coactivator interaction inhibitors. J Med Chem, Volume 55 (5), 2012";ChEMBL
MM471809;MM471809;CS(=O)(=O)c1ccc(-c2ncc(C(=O)N3CCCCC3)s2)cc1[N+](=O)[O-];BOQKMRSJVMJBHK-UHFFFAOYSA-N;395.46;2.75;;;;;GENER;EPAM;25;+1,-1;"ph = 7.4, <a href=https://www.ebi.ac.uk/chembl/assay_report_card/CHEMBL2072985/  target=_blank>CHEMBL2072985</a>";;;;;;;;;-3.54;;;;;;;;;;;;"Hwang JY, Attia RR, Zhu F, Yang L, Lemoff A, Jeffries C, Connelly MC, Guy RK.: Synthesis and evaluation of sulfonylnitrophenylthiazoles (SNPTs) as thyroid hormone receptor-coactivator interaction inhibitors. J Med Chem, Volume 55 (5), 2012";ChEMBL
MM471810;MM471810;CS(=O)(=O)c1ccc(-c2nc(-c3ccccc3)c(C(=O)N3CCCCC3)s2)cc1[N+](=O)[O-];YEVSHPJPZMOPOG-UHFFFAOYSA-N;471.56;4.41;;;;;GENER;EPAM;25;+1,-1;"ph = 7.4, <a href=https://www.ebi.ac.uk/chembl/assay_report_card/CHEMBL2072985/  target=_blank>CHEMBL2072985</a>";;;;;;;;;-3.01;;;;;;;;;;;;"Hwang JY, Attia RR, Zhu F, Yang L, Lemoff A, Jeffries C, Connelly MC, Guy RK.: Synthesis and evaluation of sulfonylnitrophenylthiazoles (SNPTs) as thyroid hormone receptor-coactivator interaction inhibitors. J Med Chem, Volume 55 (5), 2012";ChEMBL
MM471811;MM471811;CCc1nc(-c2ccc(S(C)(=O)=O)c([N+](=O)[O-])c2)sc1C(=O)N1CCCCC1;RSFGEIMRRNTSHK-UHFFFAOYSA-N;423.52;3.31;;;;;GENER;EPAM;25;+1,-1;"ph = 7.4, <a href=https://www.ebi.ac.uk/chembl/assay_report_card/CHEMBL2072985/  target=_blank>CHEMBL2072985</a>";;;;;;;;;-3.18;;;;;;;;;;;;"Hwang JY, Attia RR, Zhu F, Yang L, Lemoff A, Jeffries C, Connelly MC, Guy RK.: Synthesis and evaluation of sulfonylnitrophenylthiazoles (SNPTs) as thyroid hormone receptor-coactivator interaction inhibitors. J Med Chem, Volume 55 (5), 2012";ChEMBL
MM471812;MM471812;CS(=O)(=O)c1ccc(-c2ncc(C(=O)NC34CC5CC(CC(C5)C3)C4)s2)cc1[N+](=O)[O-];RJBHRIIEYCYSRK-UHFFFAOYSA-N;461.57;3.82;;;;;GENER;EPAM;25;+1,-1;"ph = 7.4, <a href=https://www.ebi.ac.uk/chembl/assay_report_card/CHEMBL2072985/  target=_blank>CHEMBL2072985</a>";;;;;;;;;-3.42;;;;;;;;;;;;"Hwang JY, Attia RR, Zhu F, Yang L, Lemoff A, Jeffries C, Connelly MC, Guy RK.: Synthesis and evaluation of sulfonylnitrophenylthiazoles (SNPTs) as thyroid hormone receptor-coactivator interaction inhibitors. J Med Chem, Volume 55 (5), 2012";ChEMBL
MM471813;MM471813;Cc1nc(-c2ccc(S(C)(=O)=O)c([N+](=O)[O-])c2)sc1C(=O)N1CCCCC1;ZZBJVVMXMMDHEW-UHFFFAOYSA-N;409.49;3.06;;;;;GENER;EPAM;25;+1,-1;"ph = 7.4, <a href=https://www.ebi.ac.uk/chembl/assay_report_card/CHEMBL2072985/  target=_blank>CHEMBL2072985</a>";;;;;;;;;-3.55;;;;;;;;;;;;"Hwang JY, Attia RR, Zhu F, Yang L, Lemoff A, Jeffries C, Connelly MC, Guy RK.: Synthesis and evaluation of sulfonylnitrophenylthiazoles (SNPTs) as thyroid hormone receptor-coactivator interaction inhibitors. J Med Chem, Volume 55 (5), 2012";ChEMBL
MM471814;MM471814;CC1(C)CC2CC(C)(CN2C(=O)c2sc(-c3ccc(S(C)(=O)=O)c([N+](=O)[O-])c3)nc2C(F)(F)F)C1;JTUQQNGPPZILDJ-UHFFFAOYSA-N;531.58;5.18;;;;;GENER;EPAM;25;+1,-1;"ph = 7.4, <a href=https://www.ebi.ac.uk/chembl/assay_report_card/CHEMBL2072985/  target=_blank>CHEMBL2072985</a>";;;;;;;;;-5.1;;;;;;;;;;;;"Hwang JY, Attia RR, Zhu F, Yang L, Lemoff A, Jeffries C, Connelly MC, Guy RK.: Synthesis and evaluation of sulfonylnitrophenylthiazoles (SNPTs) as thyroid hormone receptor-coactivator interaction inhibitors. J Med Chem, Volume 55 (5), 2012";ChEMBL
MM471815;MM471815;CCc1nc(-c2ccc(S(C)(=O)=O)c([N+](=O)[O-])c2)sc1C(=O)N1CC2(C)CC1CC(C)(C)C2;GMITTXRKDVNPGH-UHFFFAOYSA-N;491.64;4.73;;;;;GENER;EPAM;25;+1,-1;"ph = 7.4, <a href=https://www.ebi.ac.uk/chembl/assay_report_card/CHEMBL2072985/  target=_blank>CHEMBL2072985</a>";;;;;;;;;-3.02;;;;;;;;;;;;"Hwang JY, Attia RR, Zhu F, Yang L, Lemoff A, Jeffries C, Connelly MC, Guy RK.: Synthesis and evaluation of sulfonylnitrophenylthiazoles (SNPTs) as thyroid hormone receptor-coactivator interaction inhibitors. J Med Chem, Volume 55 (5), 2012";ChEMBL
MM471816;MM471816;CN(Cc1cccc(F)c1)C(=O)c1sc(-c2ccc(S(C)(=O)=O)c([N+](=O)[O-])c2)nc1C(F)(F)F;VDRPYFBBLBGDEM-UHFFFAOYSA-N;517.48;4.55;;;;;GENER;EPAM;25;+1,-1;"ph = 7.4, <a href=https://www.ebi.ac.uk/chembl/assay_report_card/CHEMBL2072985/  target=_blank>CHEMBL2072985</a>";;;;;;;;;-3.57;;;;;;;;;;;;"Hwang JY, Attia RR, Zhu F, Yang L, Lemoff A, Jeffries C, Connelly MC, Guy RK.: Synthesis and evaluation of sulfonylnitrophenylthiazoles (SNPTs) as thyroid hormone receptor-coactivator interaction inhibitors. J Med Chem, Volume 55 (5), 2012";ChEMBL
MM471824;MM471824;CN(Cc1cccc(F)c1)C(=O)c1cnc(-c2ccc(S(C)(=O)=O)c([N+](=O)[O-])c2)s1;FQPVDBNCZQKCSP-UHFFFAOYSA-N;449.49;3.53;;;;;GENER;EPAM;25;+1,-1;"ph = 7.4, <a href=https://www.ebi.ac.uk/chembl/assay_report_card/CHEMBL2072985/  target=_blank>CHEMBL2072985</a>";;;;;;;;;-2.99;;;;;;;;;;;;"Hwang JY, Attia RR, Zhu F, Yang L, Lemoff A, Jeffries C, Connelly MC, Guy RK.: Synthesis and evaluation of sulfonylnitrophenylthiazoles (SNPTs) as thyroid hormone receptor-coactivator interaction inhibitors. J Med Chem, Volume 55 (5), 2012";ChEMBL
MM471333;MM471333;Cc1[nH]c2ccccc2c1C(Nc1ccccc1)c1ccccc1;GYRJMFJIIQWJSF-UHFFFAOYSA-N;312.42;5.68;20222540;;;CHEMBL2070860;GENER;EPAM;25;0;"ph = 7.4, <a href=https://www.ebi.ac.uk/chembl/assay_report_card/CHEMBL2073150/  target=_blank>CHEMBL2073150</a>";;;;;;;;;-6;;;;;;;;;;;;"Nandhikonda P, Lynt WZ, McCallum MM, Ara T, Baranowski AM, Yuan NY, Pearson D, Bikle DD, Guy RK, Arnold LA.: Discovery of the first irreversible small molecule inhibitors of the interaction between the vitamin D receptor and coactivators. J Med Chem, Volume 55 (10), 2012";ChEMBL
MM471334;MM471334;Cc1[nH]c2ccccc2c1C(Nc1ccccc1)c1ccc(Cl)cc1;XECLBYVJWQYBLT-UHFFFAOYSA-N;346.86;6.33;70690978;;;CHEMBL2070861;GENER;EPAM;25;0;"ph = 7.4, <a href=https://www.ebi.ac.uk/chembl/assay_report_card/CHEMBL2073150/  target=_blank>CHEMBL2073150</a>";;;;;;;;;-6.03;;;;;;;;;;;;"Nandhikonda P, Lynt WZ, McCallum MM, Ara T, Baranowski AM, Yuan NY, Pearson D, Bikle DD, Guy RK, Arnold LA.: Discovery of the first irreversible small molecule inhibitors of the interaction between the vitamin D receptor and coactivators. J Med Chem, Volume 55 (10), 2012";ChEMBL
MM471332;MM471332;COc1ccc(C(Nc2ccccc2)c2c(C)[nH]c3ccccc23)cc1;XUEXVGQESDMUCX-UHFFFAOYSA-N;342.44;5.69;70697216;;;CHEMBL2070862;GENER;EPAM;25;0;"ph = 7.4, <a href=https://www.ebi.ac.uk/chembl/assay_report_card/CHEMBL2073150/  target=_blank>CHEMBL2073150</a>";;;;;;;;;-6.1;;;;;;;;;;;;"Nandhikonda P, Lynt WZ, McCallum MM, Ara T, Baranowski AM, Yuan NY, Pearson D, Bikle DD, Guy RK, Arnold LA.: Discovery of the first irreversible small molecule inhibitors of the interaction between the vitamin D receptor and coactivators. J Med Chem, Volume 55 (10), 2012";ChEMBL
MM471331;MM471331;Cc1ccc(C(Nc2ccccc2)c2c(C)[nH]c3ccccc23)cc1;ZSRRDAVCCVHDTL-UHFFFAOYSA-N;326.44;5.99;70682577;;;CHEMBL2070863;GENER;EPAM;25;0;"ph = 7.4, <a href=https://www.ebi.ac.uk/chembl/assay_report_card/CHEMBL2073150/  target=_blank>CHEMBL2073150</a>";;;;;;;;;-6.34;;;;;;;;;;;;"Nandhikonda P, Lynt WZ, McCallum MM, Ara T, Baranowski AM, Yuan NY, Pearson D, Bikle DD, Guy RK, Arnold LA.: Discovery of the first irreversible small molecule inhibitors of the interaction between the vitamin D receptor and coactivators. J Med Chem, Volume 55 (10), 2012";ChEMBL
MM471329;MM471329;Cc1[nH]c2ccccc2c1C(Nc1ccccc1)c1ccc(N(C)C)cc1;ODVYIAMUSCZGRO-UHFFFAOYSA-N;355.49;5.74;;;;;GENER;EPAM;25;0;"ph = 7.4, <a href=https://www.ebi.ac.uk/chembl/assay_report_card/CHEMBL2073150/  target=_blank>CHEMBL2073150</a>";;;;;;;;;-6.88;;;;;;;;;;;;"Nandhikonda P, Lynt WZ, McCallum MM, Ara T, Baranowski AM, Yuan NY, Pearson D, Bikle DD, Guy RK, Arnold LA.: Discovery of the first irreversible small molecule inhibitors of the interaction between the vitamin D receptor and coactivators. J Med Chem, Volume 55 (10), 2012";ChEMBL
MM471330;MM471330;Cc1[nH]c2ccccc2c1C(Nc1ccccc1)c1ccc([N+](=O)[O-])cc1;SQOQCTLLQYSMCW-UHFFFAOYSA-N;357.41;5.59;;;;;GENER;EPAM;25;+1,-1;"ph = 7.4, <a href=https://www.ebi.ac.uk/chembl/assay_report_card/CHEMBL2073150/  target=_blank>CHEMBL2073150</a>";;;;;;;;;-6.08;;;;;;;;;;;;"Nandhikonda P, Lynt WZ, McCallum MM, Ara T, Baranowski AM, Yuan NY, Pearson D, Bikle DD, Guy RK, Arnold LA.: Discovery of the first irreversible small molecule inhibitors of the interaction between the vitamin D receptor and coactivators. J Med Chem, Volume 55 (10), 2012";ChEMBL
MM471328;MM471328;Cc1[nH]c2ccccc2c1C(C)Nc1ccccc1;DDGANMJHQGZTFA-UHFFFAOYSA-N;250.35;4.65;70690979;;;CHEMBL2070866;GENER;EPAM;25;0;"ph = 7.4, <a href=https://www.ebi.ac.uk/chembl/assay_report_card/CHEMBL2073150/  target=_blank>CHEMBL2073150</a>";;;;;;;;;-6.4;;;;;;;;;;;;"Nandhikonda P, Lynt WZ, McCallum MM, Ara T, Baranowski AM, Yuan NY, Pearson D, Bikle DD, Guy RK, Arnold LA.: Discovery of the first irreversible small molecule inhibitors of the interaction between the vitamin D receptor and coactivators. J Med Chem, Volume 55 (10), 2012";ChEMBL
MM471327;MM471327;Cc1[nH]c2ccccc2c1C(Nc1ccccc1)c1ccc2ccccc2c1;QOAYZHCBPQVSGD-UHFFFAOYSA-N;362.48;6.83;70690980;;;CHEMBL2070867;GENER;EPAM;25;0;"ph = 7.4, <a href=https://www.ebi.ac.uk/chembl/assay_report_card/CHEMBL2073150/  target=_blank>CHEMBL2073150</a>";;;;;;;;;-6.3;;;;;;;;;;;;"Nandhikonda P, Lynt WZ, McCallum MM, Ara T, Baranowski AM, Yuan NY, Pearson D, Bikle DD, Guy RK, Arnold LA.: Discovery of the first irreversible small molecule inhibitors of the interaction between the vitamin D receptor and coactivators. J Med Chem, Volume 55 (10), 2012";ChEMBL
MM471325;MM471325;Cc1[nH]c2ccccc2c1C(Nc1ccccc1)c1ccc(CCCO)cc1;KAOODWWVZHYMNZ-UHFFFAOYSA-N;370.5;5.6;70682579;;;CHEMBL2070868;GENER;EPAM;25;0;"ph = 7.4, <a href=https://www.ebi.ac.uk/chembl/assay_report_card/CHEMBL2073150/  target=_blank>CHEMBL2073150</a>";;;;;;;;;-6.83;;;;;;;;;;;;"Nandhikonda P, Lynt WZ, McCallum MM, Ara T, Baranowski AM, Yuan NY, Pearson D, Bikle DD, Guy RK, Arnold LA.: Discovery of the first irreversible small molecule inhibitors of the interaction between the vitamin D receptor and coactivators. J Med Chem, Volume 55 (10), 2012";ChEMBL
MM471326;MM471326;Cc1[nH]c2ccccc2c1C(Nc1ccccc1)c1ccccc1Cl;KKYPVDWXGFTXDX-UHFFFAOYSA-N;346.86;6.33;70688890;;;CHEMBL2070869;GENER;EPAM;25;0;"ph = 7.4, <a href=https://www.ebi.ac.uk/chembl/assay_report_card/CHEMBL2073150/  target=_blank>CHEMBL2073150</a>";;;;;;;;;-6.41;;;;;;;;;;;;"Nandhikonda P, Lynt WZ, McCallum MM, Ara T, Baranowski AM, Yuan NY, Pearson D, Bikle DD, Guy RK, Arnold LA.: Discovery of the first irreversible small molecule inhibitors of the interaction between the vitamin D receptor and coactivators. J Med Chem, Volume 55 (10), 2012";ChEMBL
MM471324;MM471324;Cc1[nH]c2ccccc2c1C(Nc1ccc(Cl)cc1)c1ccccc1Cl;FYALZEQZMVNQCR-UHFFFAOYSA-N;381.31;6.98;66550229;;;CHEMBL2070870;GENER;EPAM;25;0;"ph = 7.4, <a href=https://www.ebi.ac.uk/chembl/assay_report_card/CHEMBL2073150/  target=_blank>CHEMBL2073150</a>";;;;;;;;;-6.24;;;;;;;;;;;;"Nandhikonda P, Lynt WZ, McCallum MM, Ara T, Baranowski AM, Yuan NY, Pearson D, Bikle DD, Guy RK, Arnold LA.: Discovery of the first irreversible small molecule inhibitors of the interaction between the vitamin D receptor and coactivators. J Med Chem, Volume 55 (10), 2012";ChEMBL
MM471323;MM471323;COc1ccc(NC(c2ccccc2Cl)c2c(C)[nH]c3ccccc23)cc1;NMSSLXZRBIVVTN-UHFFFAOYSA-N;376.89;6.34;70684663;;;CHEMBL2070871;GENER;EPAM;25;0;"ph = 7.4, <a href=https://www.ebi.ac.uk/chembl/assay_report_card/CHEMBL2073150/  target=_blank>CHEMBL2073150</a>";;;;;;;;;-6.3;;;;;;;;;;;;"Nandhikonda P, Lynt WZ, McCallum MM, Ara T, Baranowski AM, Yuan NY, Pearson D, Bikle DD, Guy RK, Arnold LA.: Discovery of the first irreversible small molecule inhibitors of the interaction between the vitamin D receptor and coactivators. J Med Chem, Volume 55 (10), 2012";ChEMBL
MM471322;MM471322;Cc1ccc(NC(c2ccccc2Cl)c2c(C)[nH]c3ccccc23)cc1;WGMLMTFVAKEION-UHFFFAOYSA-N;360.89;6.64;70690981;;;CHEMBL2070872;GENER;EPAM;25;0;"ph = 7.4, <a href=https://www.ebi.ac.uk/chembl/assay_report_card/CHEMBL2073150/  target=_blank>CHEMBL2073150</a>";;;;;;;;;-6.45;;;;;;;;;;;;"Nandhikonda P, Lynt WZ, McCallum MM, Ara T, Baranowski AM, Yuan NY, Pearson D, Bikle DD, Guy RK, Arnold LA.: Discovery of the first irreversible small molecule inhibitors of the interaction between the vitamin D receptor and coactivators. J Med Chem, Volume 55 (10), 2012";ChEMBL
MM471320;MM471320;Cc1[nH]c2ccccc2c1C(Nc1ccc(N(C)C)cc1)c1ccccc1Cl;HIZIBVCJGAJFLN-UHFFFAOYSA-N;389.93;6.4;70684664;;;CHEMBL2070873;GENER;EPAM;25;0;"ph = 7.4, <a href=https://www.ebi.ac.uk/chembl/assay_report_card/CHEMBL2073150/  target=_blank>CHEMBL2073150</a>";;;;;;;;;-7.28;;;;;;;;;;;;"Nandhikonda P, Lynt WZ, McCallum MM, Ara T, Baranowski AM, Yuan NY, Pearson D, Bikle DD, Guy RK, Arnold LA.: Discovery of the first irreversible small molecule inhibitors of the interaction between the vitamin D receptor and coactivators. J Med Chem, Volume 55 (10), 2012";ChEMBL
MM471321;MM471321;Cc1[nH]c2ccccc2c1C(Nc1ccc([N+](=O)[O-])cc1)c1ccccc1Cl;ACNLXCIXYZWHOW-UHFFFAOYSA-N;391.86;6.24;;;;;GENER;EPAM;25;+1,-1;"ph = 7.4, <a href=https://www.ebi.ac.uk/chembl/assay_report_card/CHEMBL2073150/  target=_blank>CHEMBL2073150</a>";;;;;;;;;-7.6;;;;;;;;;;;;"Nandhikonda P, Lynt WZ, McCallum MM, Ara T, Baranowski AM, Yuan NY, Pearson D, Bikle DD, Guy RK, Arnold LA.: Discovery of the first irreversible small molecule inhibitors of the interaction between the vitamin D receptor and coactivators. J Med Chem, Volume 55 (10), 2012";ChEMBL
MM471318;MM471318;COc1ccccc1NC(c1ccccc1Cl)c1c(C)[nH]c2ccccc12;WYOHPJDZAQURHE-UHFFFAOYSA-N;376.89;6.34;;;;;GENER;EPAM;25;0;"ph = 7.4, <a href=https://www.ebi.ac.uk/chembl/assay_report_card/CHEMBL2073150/  target=_blank>CHEMBL2073150</a>";;;;;;;;;-6.22;;;;;;;;;;;;"Nandhikonda P, Lynt WZ, McCallum MM, Ara T, Baranowski AM, Yuan NY, Pearson D, Bikle DD, Guy RK, Arnold LA.: Discovery of the first irreversible small molecule inhibitors of the interaction between the vitamin D receptor and coactivators. J Med Chem, Volume 55 (10), 2012";ChEMBL
MM471319;MM471319;Cn1cc(C(Nc2ccccc2)c2ccccc2Cl)c2ccccc21;YRXMYKUYMUGZIR-UHFFFAOYSA-N;346.86;6.03;70688891;;;CHEMBL2070877;GENER;EPAM;25;0;"ph = 7.4, <a href=https://www.ebi.ac.uk/chembl/assay_report_card/CHEMBL2073150/  target=_blank>CHEMBL2073150</a>";;;;;;;;;-6.58;;;;;;;;;;;;"Nandhikonda P, Lynt WZ, McCallum MM, Ara T, Baranowski AM, Yuan NY, Pearson D, Bikle DD, Guy RK, Arnold LA.: Discovery of the first irreversible small molecule inhibitors of the interaction between the vitamin D receptor and coactivators. J Med Chem, Volume 55 (10), 2012";ChEMBL
MM471316;MM471316;Clc1ccccc1C(Nc1ccccc1)c1c[nH]c2ccccc12;QACDMNBMSITDOR-UHFFFAOYSA-N;332.83;6.02;70695167;;;CHEMBL2070878;GENER;EPAM;25;0;"ph = 7.4, <a href=https://www.ebi.ac.uk/chembl/assay_report_card/CHEMBL2073150/  target=_blank>CHEMBL2073150</a>";;;;;;;;;-6.51;;;;;;;;;;;;"Nandhikonda P, Lynt WZ, McCallum MM, Ara T, Baranowski AM, Yuan NY, Pearson D, Bikle DD, Guy RK, Arnold LA.: Discovery of the first irreversible small molecule inhibitors of the interaction between the vitamin D receptor and coactivators. J Med Chem, Volume 55 (10), 2012";ChEMBL
MM471317;MM471317;Cc1[nH]c2ccccc2c1C(Sc1ccccc1)c1ccccc1Cl;YUPCEFFCHQWZDR-UHFFFAOYSA-N;363.91;7.01;70682580;;;CHEMBL2070879;GENER;EPAM;25;0;"ph = 7.4, <a href=https://www.ebi.ac.uk/chembl/assay_report_card/CHEMBL2073150/  target=_blank>CHEMBL2073150</a>";;;;;;;;;-6.89;;;;;;;;;;;;"Nandhikonda P, Lynt WZ, McCallum MM, Ara T, Baranowski AM, Yuan NY, Pearson D, Bikle DD, Guy RK, Arnold LA.: Discovery of the first irreversible small molecule inhibitors of the interaction between the vitamin D receptor and coactivators. J Med Chem, Volume 55 (10), 2012";ChEMBL
MM473495;MM473495;CS(=O)(=O)N1CCN(Cc2cn3cc(-c4cnc(N)nc4)nc(N4CCOCC4)c3n2)CC1;OHKDVDMWRKFZRB-UHFFFAOYSA-N;473.56;-0.32;46927938;;;CHEMBL2087474;GENER;EPAM;25;0;"<a href=https://www.ebi.ac.uk/chembl/assay_report_card/CHEMBL4179671/  target=_blank>CHEMBL4179671</a>";;;;;;;;;-6.59;;;;;;;;;;;;"Martínez González S, Hernández AI, Álvarez RM, Rodríguez A, Ramos-Lima F, Bischoff JR, Albarrán MI, Cebriá A, Hernández-Encinas E, García-Arocha J, Cebrián D, Blanco-Aparicio C, Pastor J.: Identification of novel PI3K inhibitors through a scaffold hopping strategy. Bioorg Med Chem Lett, Volume 27 (21), 2017";ChEMBL
MM474586;MM474586;COc1ccc2nc(C)cc(OCC(=O)Nc3cc(C)cc(C)c3)c2c1;PMKVVDYFRVLSFD-UHFFFAOYSA-N;350.42;4.19;;;;;GENER;EPAM;25;0;"<a href=https://www.ebi.ac.uk/chembl/assay_report_card/CHEMBL4042140/  target=_blank>CHEMBL4042140</a>";;;;;;;;;-4.74;;;;;;;;;;;;"Pitta E, Balabon O, Rogacki MK, Gómez J, Cunningham F, Joosens J, Augustyns K, van der Veken P, Bates R.: Differential characterization using readily accessible NMR experiments of novel N- and O-alkylated quinolin-4-ol, 1,5-naphthyridin-4-ol and quinazolin-4-ol derivatives with antimycobacterial activity. Eur J Med Chem, Volume 125, 2017";ChEMBL
MM473823;MM473823;O=[N+]([O-])c1ccccc1-c1nc2ccccc2[nH]1;;239.23;3.14;;;;CHEMBL209918;GENER;EPAM;25;+1,-1;"<a href=https://www.ebi.ac.uk/chembl/assay_report_card/CHEMBL973528/  target=_blank>CHEMBL973528</a>";;;;;;;;;-5.1;;;;;;;;;;;;"Brain-Isasi S, Quezada C, Pessoa H, Morello A, Kogan MJ, Alvarez-Lueje A.: Determination and characterization of new benzimidazoles with activity against Trypanosoma cruzi by UV spectroscopy and HPLC. Bioorg Med Chem, Volume 16 (16), 2008";ChEMBL
MM473823;MM473823;O=[N+]([O-])c1ccccc1-c1nc2ccccc2[nH]1;;239.23;3.14;;;;CHEMBL209918;GENER;EPAM;25;+1,-1;"<a href=https://www.ebi.ac.uk/chembl/assay_report_card/CHEMBL973531/  target=_blank>CHEMBL973531</a>";;;;;;;;;-4.92;;;;;;;;;;;;"Brain-Isasi S, Quezada C, Pessoa H, Morello A, Kogan MJ, Alvarez-Lueje A.: Determination and characterization of new benzimidazoles with activity against Trypanosoma cruzi by UV spectroscopy and HPLC. Bioorg Med Chem, Volume 16 (16), 2008";ChEMBL
MM473578;MM473578;CCC(C)C(C(CC(=O)N1CCCC1C(OC)C(C)C(=O)NC(C)C(O)c1ccccc1)OC)N(C)C(=O)C(NC(=O)C(NC)C(C)C)C(C)C;DASWEROEPLKSEI-UIJRFTGLSA-N;717.99;3.53;11542188;;;CHEMBL2103835;GENER;EPAM;25;0;"<a href=https://www.ebi.ac.uk/chembl/assay_report_card/CHEMBL4220926/  target=_blank>CHEMBL4220926</a>";;;;;;;;;-7.1;;;;;;;;;;;;"Yokosaka S, Izawa A, Sakai C, Sakurada E, Morita Y, Nishio Y.: Synthesis and evaluation of novel dolastatin 10 derivatives for versatile conjugations. Bioorg Med Chem, Volume 26 (8), 2018";ChEMBL
MM471804;MM471804;O=C(O)C1CCCN1S(=O)(=O)c1cc(Cl)c(Cl)c(Cl)c1O;SMIZKRHOEQTUGE-LURJTMIESA-N;374.63;2.59;11660780;;;CHEMBL210597;GENER;EPAM;25;0;"ph = 7.4, <a href=https://www.ebi.ac.uk/chembl/assay_report_card/CHEMBL868184/  target=_blank>CHEMBL868184</a>";;;;;;;;;-7.7;;;;;;;;;;;;"Gopalsamy A, Chopra R, Lim K, Ciszewski G, Shi M, Curran KJ, Sukits SF, Svenson K, Bard J, Ellingboe JW, Agarwal A, Krishnamurthy G, Howe AY, Orlowski M, Feld B, O'Connell J, Mansour TS.: Discovery of proline sulfonamides as potent and selective hepatitis C virus NS5b polymerase inhibitors. Evidence for a new NS5b polymerase binding site. J Med Chem, Volume 49 (11), 2006";ChEMBL
MM474061;MM474061;COc1ccnc(NC(=S)N2CCN(c3ncc(C(F)(F)F)cc3Cl)CC2)c1;AIKZMHUYNNXENU-UHFFFAOYSA-N;431.87;3.68;53257126;;;CHEMBL2135885;GENER;EPAM;25;0;"<a href=https://www.ebi.ac.uk/chembl/assay_report_card/CHEMBL3132394/  target=_blank>CHEMBL3132394</a>";;;;;;;;;-2.95;;;;;;;;;;;;"Foley TL, Rai G, Yasgar A, Daniel T, Baker HL, Attene-Ramos M, Kosa NM, Leister W, Burkart MD, Jadhav A, Simeonov A, Maloney DJ.: 4-(3-Chloro-5-(trifluoromethyl)pyridin-2-yl)-N-(4-methoxypyridin-2-yl)piperazine-1-carbothioamide (ML267), a potent inhibitor of bacterial phosphopantetheinyl transferase that attenuates secondary metabolism and thwarts bacterial growth. J Med Chem, Volume 57 (3), 2014";ChEMBL
MM474223;MM474223;COc1cc2ncnc(-n3nc(-c4ccccn4)nc3N)c2cc1OC;ILBRKJBKDGCSCB-UHFFFAOYSA-N;349.35;1.87;44551660;;;CHEMBL2143829;GENER;EPAM;25;0;"<a href=https://www.ebi.ac.uk/chembl/assay_report_card/CHEMBL3768362/  target=_blank>CHEMBL3768362</a>";;;;;;;;;-4.02;;;;;;;;;;;;"Min J, Guo K, Suryadevara PK, Zhu F, Holbrook G, Chen Y, Feau C, Young BM, Lemoff A, Connelly MC, Kastan MB, Guy RK.: Optimization of a Novel Series of Ataxia-Telangiectasia Mutated Kinase Inhibitors as Potential Radiosensitizing Agents. J Med Chem, Volume 59 (2), 2016";ChEMBL
MM472617;MM472617;Cn1cc(C2=C(c3nc(N4CCNCC4)nc4ccccc34)C(=O)NC2=O)c2ccccc21;URLJNGHIJZMXTK-UHFFFAOYSA-N;438.49;2.1;53474009;;;CHEMBL2151415;GENER;EPAM;25;0;"<a href=https://www.ebi.ac.uk/chembl/assay_report_card/CHEMBL2156137/  target=_blank>CHEMBL2156137</a>";;;;;;;;;-5.2;;;;;;;;;;;;"Wagner J, von Matt P, Faller B, Cooke NG, Albert R, Sedrani R, Wiegand H, Jean C, Beerli C, Weckbecker G, Evenou JP, Zenke G, Cottens S.: Structure-activity relationship and pharmacokinetic studies of sotrastaurin (AEB071), a promising novel medicine for prevention of graft rejection and treatment of psoriasis. J Med Chem, Volume 54 (17), 2011";ChEMBL
MM472019;MM472019;c1cnc2c(c1)CC1(CN3CCC1CC3)O2;OCKIPDMKGPYYJS-ZDUSSCGKSA-N;216.28;1.48;9794392;;;CHEMBL2151437;GENER;EPAM;25;0;"ph = 7.4, <a href=https://www.ebi.ac.uk/chembl/assay_report_card/CHEMBL2340857/  target=_blank>CHEMBL2340857</a>";;;;;;;;;-4.29;;;;;;;;;;;;"McDonald IM, Mate RA, Zusi FC, Huang H, Post-Munson DJ, Ferrante MA, Gallagher L, Bertekap RL, Knox RJ, Robertson BJ, Harden DG, Morgan DG, Lodge NJ, Dworetzky SI, Olson RE, Macor JE.: Discovery of a novel series of quinolone α7 nicotinic acetylcholine receptor agonists. Bioorg Med Chem Lett, Volume 23 (6), 2013";ChEMBL
MM471840;MM471840;O=C(Oc1coc(CSc2ncccn2)cc1=O)c1ccc([N+](=O)[O-])cc1;UASIRTUMPRQVFY-UHFFFAOYSA-N;385.36;2.85;;;;;GENER;EPAM;25;+1,-1;"ph = 7.4, <a href=https://www.ebi.ac.uk/chembl/assay_report_card/CHEMBL2161526/  target=_blank>CHEMBL2161526</a>";;;;;;;;;-3.57;;;;;;;;;;;;"Maloney PR, Khan P, Hedrick M, Gosalia P, Milewski M, Li L, Roth GP, Sergienko E, Suyama E, Sugarman E, Nguyen K, Mehta A, Vasile S, Su Y, Stonich D, Nguyen H, Zeng FY, Novo AM, Vicchiarelli M, Diwan J, Chung TD, Smith LH, Pinkerton AB.: Discovery of 4-oxo-6-((pyrimidin-2-ylthio)methyl)-4H-pyran-3-yl 4-nitrobenzoate (ML221) as a functional antagonist of the apelin (APJ) receptor. Bioorg Med Chem Lett, Volume 22 (21), 2012";ChEMBL
MM473771;MM473771;CN1CCCCC1c1nc(C(=O)NCc2ccc(F)cc2)c(O)c(=O)n1C;HGPPRMHXEAZMCS-UHFFFAOYSA-N;374.42;1.71;54677580;;;CHEMBL216389;GENER;EPAM;25;0;"<a href=https://www.ebi.ac.uk/chembl/assay_report_card/CHEMBL1060104/  target=_blank>CHEMBL1060104</a>";;;;;;;;;-4.82;;;;;;;;;;;;"Nizi E, Orsale MV, Crescenzi B, Pescatore G, Muraglia E, Alfieri A, Gardelli C, Spieser SA, Summa V.: Dihydroxy-pyrimidine and N-methylpyrimidone HIV-integrase inhibitors: improving cell based activity by the quaternarization of a chiral center. Bioorg Med Chem Lett, Volume 19 (16), 2009";ChEMBL
MM472386;MM472386;CN(CCC1CCC(C(=O)N2CCC(O)CC2)CC1)C(=O)Oc1ccc(Cl)cc1;PAHWPIPXJDOVHD-QAQDUYKDSA-N;422.95;3.95;11475734;;;CHEMBL2164238;GENER;EPAM;25;0;"ph = 6.5, <a href=https://www.ebi.ac.uk/chembl/assay_report_card/CHEMBL2169414/  target=_blank>CHEMBL2169414</a>";;;;;;;;;-5.3;;;;;;;;;;;;"Staedler D, Chapuis-Bernasconi C, Dehmlow H, Fischer H, Juillerat-Jeanneret L, Aebi JD.: Cytotoxic effects of combination of oxidosqualene cyclase inhibitors with atorvastatin in human cancer cells. J Med Chem, Volume 55 (11), 2012";ChEMBL
MM472387;MM472387;Cc1ccccc1-n1nc(-c2c(-c3ccc(F)cc3)nn3c2NC(CO)CC3)ccc1=O;VBXYJTRDAAYDCJ-SFHVURJKSA-N;431.47;3.39;135523996;;;CHEMBL2170284;GENER;EPAM;25;0;"ph = 6.5, <a href=https://www.ebi.ac.uk/chembl/assay_report_card/CHEMBL2172916/  target=_blank>CHEMBL2172916</a>";;;;;;;;;-4.66;;;;;;;;;;;;"Asano T, Yamazaki H, Kasahara C, Kubota H, Kontani T, Harayama Y, Ohno K, Mizuhara H, Yokomoto M, Misumi K, Kinoshita T, Ohta M, Takeuchi M.: Identification, synthesis, and biological evaluation of 6-[(6R)-2-(4-fluorophenyl)-6-(hydroxymethyl)-4,5,6,7-tetrahydropyrazolo[1,5-a]pyrimidin-3-yl]-2-(2-methylphenyl)pyridazin-3(2H)-one (AS1940477), a potent p38 MAP kinase inhibitor. J Med Chem, Volume 55 (17), 2012";ChEMBL
MM472395;MM472395;CNc1c(-c2ccc(=O)n(-c3ccccc3C)n2)c(-c2ccc(F)cc2)nn1C;JBYPNPZCECMVOP-UHFFFAOYSA-N;389.43;3.79;69575038;;;CHEMBL2170287;GENER;EPAM;25;0;"ph = 6.5, <a href=https://www.ebi.ac.uk/chembl/assay_report_card/CHEMBL2172916/  target=_blank>CHEMBL2172916</a>";;;;;;;;;-4.52;;;;;;;;;;;;"Asano T, Yamazaki H, Kasahara C, Kubota H, Kontani T, Harayama Y, Ohno K, Mizuhara H, Yokomoto M, Misumi K, Kinoshita T, Ohta M, Takeuchi M.: Identification, synthesis, and biological evaluation of 6-[(6R)-2-(4-fluorophenyl)-6-(hydroxymethyl)-4,5,6,7-tetrahydropyrazolo[1,5-a]pyrimidin-3-yl]-2-(2-methylphenyl)pyridazin-3(2H)-one (AS1940477), a potent p38 MAP kinase inhibitor. J Med Chem, Volume 55 (17), 2012";ChEMBL
MM472394;MM472394;Cc1ccccc1-n1nc(-c2c(-c3ccc(F)cc3)nn(C)c2NCCCO)ccc1=O;XJVWGLLFVRSHPK-UHFFFAOYSA-N;433.49;3.54;51031046;;;CHEMBL2170288;GENER;EPAM;25;0;"ph = 6.5, <a href=https://www.ebi.ac.uk/chembl/assay_report_card/CHEMBL2172916/  target=_blank>CHEMBL2172916</a>";;;;;;;;;-4.77;;;;;;;;;;;;"Asano T, Yamazaki H, Kasahara C, Kubota H, Kontani T, Harayama Y, Ohno K, Mizuhara H, Yokomoto M, Misumi K, Kinoshita T, Ohta M, Takeuchi M.: Identification, synthesis, and biological evaluation of 6-[(6R)-2-(4-fluorophenyl)-6-(hydroxymethyl)-4,5,6,7-tetrahydropyrazolo[1,5-a]pyrimidin-3-yl]-2-(2-methylphenyl)pyridazin-3(2H)-one (AS1940477), a potent p38 MAP kinase inhibitor. J Med Chem, Volume 55 (17), 2012";ChEMBL
MM472393;MM472393;Cc1ccccc1-n1nc(-c2c(-c3ccc(F)cc3)nn3c2NCCC3)ccc1=O;JFORDIJYTZRGQE-UHFFFAOYSA-N;401.45;4.03;136226812;;;CHEMBL2170290;GENER;EPAM;25;0;"ph = 6.5, <a href=https://www.ebi.ac.uk/chembl/assay_report_card/CHEMBL2172916/  target=_blank>CHEMBL2172916</a>";;;;;;;;;-4.52;;;;;;;;;;;;"Asano T, Yamazaki H, Kasahara C, Kubota H, Kontani T, Harayama Y, Ohno K, Mizuhara H, Yokomoto M, Misumi K, Kinoshita T, Ohta M, Takeuchi M.: Identification, synthesis, and biological evaluation of 6-[(6R)-2-(4-fluorophenyl)-6-(hydroxymethyl)-4,5,6,7-tetrahydropyrazolo[1,5-a]pyrimidin-3-yl]-2-(2-methylphenyl)pyridazin-3(2H)-one (AS1940477), a potent p38 MAP kinase inhibitor. J Med Chem, Volume 55 (17), 2012";ChEMBL
MM472392;MM472392;Cc1ccccc1-n1nc(-c2c(-c3ccc(F)cc3)nn3c2NCC(O)C3)ccc1=O;QXYRMVUWXFWUKP-QGZVFWFLSA-N;417.44;3;135975103;;;CHEMBL2170292;GENER;EPAM;25;0;"ph = 6.5, <a href=https://www.ebi.ac.uk/chembl/assay_report_card/CHEMBL2172916/  target=_blank>CHEMBL2172916</a>";;;;;;;;;-4.8;;;;;;;;;;;;"Asano T, Yamazaki H, Kasahara C, Kubota H, Kontani T, Harayama Y, Ohno K, Mizuhara H, Yokomoto M, Misumi K, Kinoshita T, Ohta M, Takeuchi M.: Identification, synthesis, and biological evaluation of 6-[(6R)-2-(4-fluorophenyl)-6-(hydroxymethyl)-4,5,6,7-tetrahydropyrazolo[1,5-a]pyrimidin-3-yl]-2-(2-methylphenyl)pyridazin-3(2H)-one (AS1940477), a potent p38 MAP kinase inhibitor. J Med Chem, Volume 55 (17), 2012";ChEMBL
MM472391;MM472391;Cc1ccccc1-n1nc(-c2c(-c3ccc(F)cc3)nn3c2NC[C@H](O)C3)ccc1=O;QXYRMVUWXFWUKP-KRWDZBQOSA-N;417.44;3;;;;;GENER;EPAM;25;0;"ph = 6.5, <a href=https://www.ebi.ac.uk/chembl/assay_report_card/CHEMBL2172916/  target=_blank>CHEMBL2172916</a>";;;;;;;;;-4.77;;;;;;;;;;;;"Asano T, Yamazaki H, Kasahara C, Kubota H, Kontani T, Harayama Y, Ohno K, Mizuhara H, Yokomoto M, Misumi K, Kinoshita T, Ohta M, Takeuchi M.: Identification, synthesis, and biological evaluation of 6-[(6R)-2-(4-fluorophenyl)-6-(hydroxymethyl)-4,5,6,7-tetrahydropyrazolo[1,5-a]pyrimidin-3-yl]-2-(2-methylphenyl)pyridazin-3(2H)-one (AS1940477), a potent p38 MAP kinase inhibitor. J Med Chem, Volume 55 (17), 2012";ChEMBL
MM472390;MM472390;Cc1ccccc1-n1nc(-c2c(-c3ccc(F)cc3)nn3c2NCC(CO)C3)ccc1=O;LYHNSWOZRDSWLX-MRXNPFEDSA-N;431.47;3.24;136173253;;;CHEMBL2170294;GENER;EPAM;25;0;"ph = 6.5, <a href=https://www.ebi.ac.uk/chembl/assay_report_card/CHEMBL2172916/  target=_blank>CHEMBL2172916</a>";;;;;;;;;-4.71;;;;;;;;;;;;"Asano T, Yamazaki H, Kasahara C, Kubota H, Kontani T, Harayama Y, Ohno K, Mizuhara H, Yokomoto M, Misumi K, Kinoshita T, Ohta M, Takeuchi M.: Identification, synthesis, and biological evaluation of 6-[(6R)-2-(4-fluorophenyl)-6-(hydroxymethyl)-4,5,6,7-tetrahydropyrazolo[1,5-a]pyrimidin-3-yl]-2-(2-methylphenyl)pyridazin-3(2H)-one (AS1940477), a potent p38 MAP kinase inhibitor. J Med Chem, Volume 55 (17), 2012";ChEMBL
MM472389;MM472389;Cc1ccccc1-n1nc(-c2c(-c3ccc(F)cc3)nn3c2NCC(CN2CCN(C)CC2)C3)ccc1=O;NXGJJGDJORGQRV-UHFFFAOYSA-N;513.62;3.5;135523986;;;CHEMBL2170296;GENER;EPAM;25;0;"ph = 6.5, <a href=https://www.ebi.ac.uk/chembl/assay_report_card/CHEMBL2172916/  target=_blank>CHEMBL2172916</a>";;;;;;;;;-4.68;;;;;;;;;;;;"Asano T, Yamazaki H, Kasahara C, Kubota H, Kontani T, Harayama Y, Ohno K, Mizuhara H, Yokomoto M, Misumi K, Kinoshita T, Ohta M, Takeuchi M.: Identification, synthesis, and biological evaluation of 6-[(6R)-2-(4-fluorophenyl)-6-(hydroxymethyl)-4,5,6,7-tetrahydropyrazolo[1,5-a]pyrimidin-3-yl]-2-(2-methylphenyl)pyridazin-3(2H)-one (AS1940477), a potent p38 MAP kinase inhibitor. J Med Chem, Volume 55 (17), 2012";ChEMBL
MM472388;MM472388;Cc1ccccc1-n1nc(-c2c(-c3ccc(F)cc3)nn3c2N[C@@H](CO)CC3)ccc1=O;VBXYJTRDAAYDCJ-GOSISDBHSA-N;431.47;3.39;;;;;GENER;EPAM;25;0;"ph = 6.5, <a href=https://www.ebi.ac.uk/chembl/assay_report_card/CHEMBL2172916/  target=_blank>CHEMBL2172916</a>";;;;;;;;;-4.64;;;;;;;;;;;;"Asano T, Yamazaki H, Kasahara C, Kubota H, Kontani T, Harayama Y, Ohno K, Mizuhara H, Yokomoto M, Misumi K, Kinoshita T, Ohta M, Takeuchi M.: Identification, synthesis, and biological evaluation of 6-[(6R)-2-(4-fluorophenyl)-6-(hydroxymethyl)-4,5,6,7-tetrahydropyrazolo[1,5-a]pyrimidin-3-yl]-2-(2-methylphenyl)pyridazin-3(2H)-one (AS1940477), a potent p38 MAP kinase inhibitor. J Med Chem, Volume 55 (17), 2012";ChEMBL
MM471846;MM471846;COc1cc2[nH]c(-c3cccc(Oc4ccccc4)c3)c(C(=O)OCCCN3CCOCC3)c(=O)c2cc1F;;532.57;5.01;57522688;;;CHEMBL2170866;GENER;EPAM;25;0;"ph = 4, <a href=https://www.ebi.ac.uk/chembl/assay_report_card/CHEMBL2175312/  target=_blank>CHEMBL2175312</a>";;;;;;;;;-4.52;;;;;;;;;;;;"Zhang Y, Clark JA, Connelly MC, Zhu F, Min J, Guiguemde WA, Pradhan A, Iyer L, Furimsky A, Gow J, Parman T, El Mazouni F, Phillips MA, Kyle DE, Mirsalis J, Guy RK.: Lead optimization of 3-carboxyl-4(1H)-quinolones to deliver orally bioavailable antimalarials. J Med Chem, Volume 55 (9), 2012";ChEMBL
MM471846;MM471846;COc1cc2[nH]c(-c3cccc(Oc4ccccc4)c3)c(C(=O)OCCCN3CCOCC3)c(=O)c2cc1F;;532.57;5.01;57522688;;;CHEMBL2170866;GENER;EPAM;25;0;"ph = 7.4, <a href=https://www.ebi.ac.uk/chembl/assay_report_card/CHEMBL2175311/  target=_blank>CHEMBL2175311</a>";;;;;;;;;-3.06;;;;;;;;;;;;"Zhang Y, Clark JA, Connelly MC, Zhu F, Min J, Guiguemde WA, Pradhan A, Iyer L, Furimsky A, Gow J, Parman T, El Mazouni F, Phillips MA, Kyle DE, Mirsalis J, Guy RK.: Lead optimization of 3-carboxyl-4(1H)-quinolones to deliver orally bioavailable antimalarials. J Med Chem, Volume 55 (9), 2012";ChEMBL
MM471845;MM471845;COc1cc2[nH]c(-c3cccc(Oc4ccccc4)c3)c(C(=O)OCCO)c(=O)c2cc1F;ZNUGFQFCUNUYJO-UHFFFAOYSA-N;449.43;4.28;57522807;;;CHEMBL2170872;GENER;EPAM;25;0;"ph = 7.4, <a href=https://www.ebi.ac.uk/chembl/assay_report_card/CHEMBL2175311/  target=_blank>CHEMBL2175311</a>";;;;;;;;;-3.21;;;;;;;;;;;;"Zhang Y, Clark JA, Connelly MC, Zhu F, Min J, Guiguemde WA, Pradhan A, Iyer L, Furimsky A, Gow J, Parman T, El Mazouni F, Phillips MA, Kyle DE, Mirsalis J, Guy RK.: Lead optimization of 3-carboxyl-4(1H)-quinolones to deliver orally bioavailable antimalarials. J Med Chem, Volume 55 (9), 2012";ChEMBL
MM471850;MM471850;CCOC(=O)c1c(-c2cccc(Oc3ccccc3)c2)[nH]c2cc(OC)c(F)cc2c1=O;ZFKZCGYBLXYLJA-UHFFFAOYSA-N;433.44;5.31;71460675;;;CHEMBL2170884;GENER;EPAM;25;0;"ph = 7.4, <a href=https://www.ebi.ac.uk/chembl/assay_report_card/CHEMBL2175311/  target=_blank>CHEMBL2175311</a>";;;;;;;;;-3.25;;;;;;;;;;;;"Zhang Y, Clark JA, Connelly MC, Zhu F, Min J, Guiguemde WA, Pradhan A, Iyer L, Furimsky A, Gow J, Parman T, El Mazouni F, Phillips MA, Kyle DE, Mirsalis J, Guy RK.: Lead optimization of 3-carboxyl-4(1H)-quinolones to deliver orally bioavailable antimalarials. J Med Chem, Volume 55 (9), 2012";ChEMBL
MM471849;MM471849;CCOC(=O)c1c(-c2cccc(Cl)c2)[nH]c2cc(OC)c(F)cc2c1=O;ZIRLMVDCUSOULK-UHFFFAOYSA-N;375.78;4.17;60201275;;;CHEMBL2170887;GENER;EPAM;25;0;"ph = 7.4, <a href=https://www.ebi.ac.uk/chembl/assay_report_card/CHEMBL2175311/  target=_blank>CHEMBL2175311</a>";;;;;;;;;-3.39;;;;;;;;;;;;"Zhang Y, Clark JA, Connelly MC, Zhu F, Min J, Guiguemde WA, Pradhan A, Iyer L, Furimsky A, Gow J, Parman T, El Mazouni F, Phillips MA, Kyle DE, Mirsalis J, Guy RK.: Lead optimization of 3-carboxyl-4(1H)-quinolones to deliver orally bioavailable antimalarials. J Med Chem, Volume 55 (9), 2012";ChEMBL
MM471848;MM471848;CCOC(=O)c1c(-c2cccc(Br)c2)[nH]c2cc(OC)c(F)cc2c1=O;SUXJWGAAWOVYLH-UHFFFAOYSA-N;420.23;4.28;71458863;;;CHEMBL2170888;GENER;EPAM;25;0;"ph = 7.4, <a href=https://www.ebi.ac.uk/chembl/assay_report_card/CHEMBL2175311/  target=_blank>CHEMBL2175311</a>";;;;;;;;;-3.17;;;;;;;;;;;;"Zhang Y, Clark JA, Connelly MC, Zhu F, Min J, Guiguemde WA, Pradhan A, Iyer L, Furimsky A, Gow J, Parman T, El Mazouni F, Phillips MA, Kyle DE, Mirsalis J, Guy RK.: Lead optimization of 3-carboxyl-4(1H)-quinolones to deliver orally bioavailable antimalarials. J Med Chem, Volume 55 (9), 2012";ChEMBL
MM471847;MM471847;CCOC(=O)c1c(-c2cc(F)cc(OC)c2)[nH]c2cc(OC)c(F)cc2c1=O;WDRQAWOIGOJIIL-UHFFFAOYSA-N;389.35;3.67;71455209;;;CHEMBL2170889;GENER;EPAM;25;0;"ph = 7.4, <a href=https://www.ebi.ac.uk/chembl/assay_report_card/CHEMBL2175311/  target=_blank>CHEMBL2175311</a>";;;;;;;;;-3.64;;;;;;;;;;;;"Zhang Y, Clark JA, Connelly MC, Zhu F, Min J, Guiguemde WA, Pradhan A, Iyer L, Furimsky A, Gow J, Parman T, El Mazouni F, Phillips MA, Kyle DE, Mirsalis J, Guy RK.: Lead optimization of 3-carboxyl-4(1H)-quinolones to deliver orally bioavailable antimalarials. J Med Chem, Volume 55 (9), 2012";ChEMBL
MM471844;MM471844;CCN1CCCC1CNC(=O)c1ccc2c(c1)NC(=O)C(=Cc1ccccc1F)S2;;425.53;4.13;53362052;;;CHEMBL2170943;GENER;EPAM;25;0;"<a href=https://www.ebi.ac.uk/chembl/assay_report_card/CHEMBL2174110/  target=_blank>CHEMBL2174110</a>";;;;;;;;;-3.13;;;;;;;;;;;;"Preuss J, Maloney P, Peddibhotla S, Hedrick MP, Hershberger P, Gosalia P, Milewski M, Li YL, Sugarman E, Hood B, Suyama E, Nguyen K, Vasile S, Sergienko E, Mangravita-Novo A, Vicchiarelli M, McAnally D, Smith LH, Roth GP, Diwan J, Chung TD, Jortzik E, Rahlfs S, Becker K, Pinkerton AB, Bode L.: Discovery of a Plasmodium falciparum glucose-6-phosphate dehydrogenase 6-phosphogluconolactonase inhibitor (R,Z)-N-((1-ethylpyrrolidin-2-yl)methyl)-2-(2-fluorobenzylidene)-3-oxo-3,4-dihydro-2H-benzo[b][1,4]thiazine-6-carboxamide (ML276) that reduces parasite growth in vitro. J Med Chem, Volume 55 (16), 2012";ChEMBL
MM471844;MM471844;CCN1CCCC1CNC(=O)c1ccc2c(c1)NC(=O)C(=Cc1ccccc1F)S2;;425.53;4.13;53362052;;;CHEMBL2170943;GENER;EPAM;25;0;"<a href=https://www.ebi.ac.uk/chembl/assay_report_card/CHEMBL2174111/  target=_blank>CHEMBL2174111</a>";;;;;;;;;-3.09;;;;;;;;;;;;"Preuss J, Maloney P, Peddibhotla S, Hedrick MP, Hershberger P, Gosalia P, Milewski M, Li YL, Sugarman E, Hood B, Suyama E, Nguyen K, Vasile S, Sergienko E, Mangravita-Novo A, Vicchiarelli M, McAnally D, Smith LH, Roth GP, Diwan J, Chung TD, Jortzik E, Rahlfs S, Becker K, Pinkerton AB, Bode L.: Discovery of a Plasmodium falciparum glucose-6-phosphate dehydrogenase 6-phosphogluconolactonase inhibitor (R,Z)-N-((1-ethylpyrrolidin-2-yl)methyl)-2-(2-fluorobenzylidene)-3-oxo-3,4-dihydro-2H-benzo[b][1,4]thiazine-6-carboxamide (ML276) that reduces parasite growth in vitro. J Med Chem, Volume 55 (16), 2012";ChEMBL
MM471844;MM471844;CCN1CCCC1CNC(=O)c1ccc2c(c1)NC(=O)C(=Cc1ccccc1F)S2;;425.53;4.13;53362052;;;CHEMBL2170943;GENER;EPAM;25;0;"<a href=https://www.ebi.ac.uk/chembl/assay_report_card/CHEMBL2174112/  target=_blank>CHEMBL2174112</a>";;;;;;;;;-4.54;;;;;;;;;;;;"Preuss J, Maloney P, Peddibhotla S, Hedrick MP, Hershberger P, Gosalia P, Milewski M, Li YL, Sugarman E, Hood B, Suyama E, Nguyen K, Vasile S, Sergienko E, Mangravita-Novo A, Vicchiarelli M, McAnally D, Smith LH, Roth GP, Diwan J, Chung TD, Jortzik E, Rahlfs S, Becker K, Pinkerton AB, Bode L.: Discovery of a Plasmodium falciparum glucose-6-phosphate dehydrogenase 6-phosphogluconolactonase inhibitor (R,Z)-N-((1-ethylpyrrolidin-2-yl)methyl)-2-(2-fluorobenzylidene)-3-oxo-3,4-dihydro-2H-benzo[b][1,4]thiazine-6-carboxamide (ML276) that reduces parasite growth in vitro. J Med Chem, Volume 55 (16), 2012";ChEMBL
MM471844;MM471844;CCN1CCCC1CNC(=O)c1ccc2c(c1)NC(=O)C(=Cc1ccccc1F)S2;;425.53;4.13;53362052;;;CHEMBL2170943;GENER;EPAM;25;0;"ph = 7.4, <a href=https://www.ebi.ac.uk/chembl/assay_report_card/CHEMBL2174109/  target=_blank>CHEMBL2174109</a>";;;;;;;;;-3.63;;;;;;;;;;;;"Preuss J, Maloney P, Peddibhotla S, Hedrick MP, Hershberger P, Gosalia P, Milewski M, Li YL, Sugarman E, Hood B, Suyama E, Nguyen K, Vasile S, Sergienko E, Mangravita-Novo A, Vicchiarelli M, McAnally D, Smith LH, Roth GP, Diwan J, Chung TD, Jortzik E, Rahlfs S, Becker K, Pinkerton AB, Bode L.: Discovery of a Plasmodium falciparum glucose-6-phosphate dehydrogenase 6-phosphogluconolactonase inhibitor (R,Z)-N-((1-ethylpyrrolidin-2-yl)methyl)-2-(2-fluorobenzylidene)-3-oxo-3,4-dihydro-2H-benzo[b][1,4]thiazine-6-carboxamide (ML276) that reduces parasite growth in vitro. J Med Chem, Volume 55 (16), 2012";ChEMBL
MM471856;MM471856;CCOC(=O)c1c(-c2cccc(-c3ccccc3)c2)[nH]c2cc(OC)ccc2c1=O;OEVZQVIGGVNLLJ-UHFFFAOYSA-N;399.45;5.05;71462396;;;CHEMBL2171078;GENER;EPAM;25;0;"ph = 7.4, <a href=https://www.ebi.ac.uk/chembl/assay_report_card/CHEMBL2175311/  target=_blank>CHEMBL2175311</a>";;;;;;;;;-2.54;;;;;;;;;;;;"Zhang Y, Clark JA, Connelly MC, Zhu F, Min J, Guiguemde WA, Pradhan A, Iyer L, Furimsky A, Gow J, Parman T, El Mazouni F, Phillips MA, Kyle DE, Mirsalis J, Guy RK.: Lead optimization of 3-carboxyl-4(1H)-quinolones to deliver orally bioavailable antimalarials. J Med Chem, Volume 55 (9), 2012";ChEMBL
MM471855;MM471855;CCOC(=O)c1c(-c2cccc(OCC)c2)[nH]c2cc(OC)ccc2c1=O;OKRMQSDORUSWSS-UHFFFAOYSA-N;367.4;3.78;71460686;;;CHEMBL2171079;GENER;EPAM;25;0;"ph = 7.4, <a href=https://www.ebi.ac.uk/chembl/assay_report_card/CHEMBL2175311/  target=_blank>CHEMBL2175311</a>";;;;;;;;;-3.59;;;;;;;;;;;;"Zhang Y, Clark JA, Connelly MC, Zhu F, Min J, Guiguemde WA, Pradhan A, Iyer L, Furimsky A, Gow J, Parman T, El Mazouni F, Phillips MA, Kyle DE, Mirsalis J, Guy RK.: Lead optimization of 3-carboxyl-4(1H)-quinolones to deliver orally bioavailable antimalarials. J Med Chem, Volume 55 (9), 2012";ChEMBL
MM471853;MM471853;CCCOc1cccc(-c2[nH]c3cc(OC)ccc3c(=O)c2C(=O)OCC)c1;HLZLABVDBYMCKV-UHFFFAOYSA-N;381.43;4.17;71457014;;;CHEMBL2171080;GENER;EPAM;25;0;"ph = 7.4, <a href=https://www.ebi.ac.uk/chembl/assay_report_card/CHEMBL2175311/  target=_blank>CHEMBL2175311</a>";;;;;;;;;-3.47;;;;;;;;;;;;"Zhang Y, Clark JA, Connelly MC, Zhu F, Min J, Guiguemde WA, Pradhan A, Iyer L, Furimsky A, Gow J, Parman T, El Mazouni F, Phillips MA, Kyle DE, Mirsalis J, Guy RK.: Lead optimization of 3-carboxyl-4(1H)-quinolones to deliver orally bioavailable antimalarials. J Med Chem, Volume 55 (9), 2012";ChEMBL
MM471852;MM471852;CCOC(=O)c1c(-c2cccc(Oc3ccccc3)c2)[nH]c2cc(OC)ccc2c1=O;PZODNGYXJBSPAW-UHFFFAOYSA-N;415.45;5.17;71455224;;;CHEMBL2171085;GENER;EPAM;25;0;"ph = 7.4, <a href=https://www.ebi.ac.uk/chembl/assay_report_card/CHEMBL2175311/  target=_blank>CHEMBL2175311</a>";;;;;;;;;-3.12;;;;;;;;;;;;"Zhang Y, Clark JA, Connelly MC, Zhu F, Min J, Guiguemde WA, Pradhan A, Iyer L, Furimsky A, Gow J, Parman T, El Mazouni F, Phillips MA, Kyle DE, Mirsalis J, Guy RK.: Lead optimization of 3-carboxyl-4(1H)-quinolones to deliver orally bioavailable antimalarials. J Med Chem, Volume 55 (9), 2012";ChEMBL
MM472281;MM472281;COc1cccc(-c2nc(N3CCC(C(=O)O)CC3)cc3cccnc23)c1;LBZYVKXXXHZJAJ-UHFFFAOYSA-N;363.42;3.61;10090103;;;CHEMBL2172366;GENER;EPAM;25;0;"ph = 6.8, <a href=https://www.ebi.ac.uk/chembl/assay_report_card/CHEMBL2176454/  target=_blank>CHEMBL2176454</a>";;;;;;;;;-4;;;;;;;;;;;;"Press NJ, Taylor RJ, Fullerton JD, Tranter P, McCarthy C, Keller TH, Arnold N, Beer D, Brown L, Cheung R, Christie J, Denholm A, Haberthuer S, Hatto JD, Keenan M, Mercer MK, Oakman H, Sahri H, Tuffnell AR, Tweed M, Tyler JW, Wagner T, Fozard JR, Trifilieff A.: Solubility-driven optimization of phosphodiesterase-4 inhibitors leading to a clinical candidate. J Med Chem, Volume 55 (17), 2012";ChEMBL
MM472282;MM472282;O=C(O)C1CCN(c2cc3cccnc3c(-c3cccc(OC(F)(F)F)c3)n2)CC1;NWFVGBIXGVRSLW-UHFFFAOYSA-N;417.39;4.5;10432102;;;CHEMBL2172367;GENER;EPAM;25;0;"ph = 6.8, <a href=https://www.ebi.ac.uk/chembl/assay_report_card/CHEMBL2176454/  target=_blank>CHEMBL2176454</a>";;;;;;;;;-4.3;;;;;;;;;;;;"Press NJ, Taylor RJ, Fullerton JD, Tranter P, McCarthy C, Keller TH, Arnold N, Beer D, Brown L, Cheung R, Christie J, Denholm A, Haberthuer S, Hatto JD, Keenan M, Mercer MK, Oakman H, Sahri H, Tuffnell AR, Tweed M, Tyler JW, Wagner T, Fozard JR, Trifilieff A.: Solubility-driven optimization of phosphodiesterase-4 inhibitors leading to a clinical candidate. J Med Chem, Volume 55 (17), 2012";ChEMBL
MM472283;MM472283;O=C(O)C1CCN(c2cc3cccnc3c(-c3cccc(F)c3)n2)CC1;XCXUHQBEIHEAHQ-UHFFFAOYSA-N;351.38;3.74;9999401;;;CHEMBL2172368;GENER;EPAM;25;0;"ph = 6.8, <a href=https://www.ebi.ac.uk/chembl/assay_report_card/CHEMBL2176454/  target=_blank>CHEMBL2176454</a>";;;;;;;;;-4;;;;;;;;;;;;"Press NJ, Taylor RJ, Fullerton JD, Tranter P, McCarthy C, Keller TH, Arnold N, Beer D, Brown L, Cheung R, Christie J, Denholm A, Haberthuer S, Hatto JD, Keenan M, Mercer MK, Oakman H, Sahri H, Tuffnell AR, Tweed M, Tyler JW, Wagner T, Fozard JR, Trifilieff A.: Solubility-driven optimization of phosphodiesterase-4 inhibitors leading to a clinical candidate. J Med Chem, Volume 55 (17), 2012";ChEMBL
MM472284;MM472284;O=C(O)C1CCN(c2cc3cccnc3c(-c3cccc(Cl)c3)n2)CC1;RXBMPEMJBXRGAW-UHFFFAOYSA-N;367.84;4.25;10451631;;;CHEMBL2172369;GENER;EPAM;25;0;"ph = 6.8, <a href=https://www.ebi.ac.uk/chembl/assay_report_card/CHEMBL2176454/  target=_blank>CHEMBL2176454</a>";;;;;;;;;-4.2;;;;;;;;;;;;"Press NJ, Taylor RJ, Fullerton JD, Tranter P, McCarthy C, Keller TH, Arnold N, Beer D, Brown L, Cheung R, Christie J, Denholm A, Haberthuer S, Hatto JD, Keenan M, Mercer MK, Oakman H, Sahri H, Tuffnell AR, Tweed M, Tyler JW, Wagner T, Fozard JR, Trifilieff A.: Solubility-driven optimization of phosphodiesterase-4 inhibitors leading to a clinical candidate. J Med Chem, Volume 55 (17), 2012";ChEMBL
MM472285;MM472285;N#Cc1cccc(-c2nc(N3CCC(C(=O)O)CC3)cc3cccnc23)c1;IJALVDBOEUTVBN-UHFFFAOYSA-N;358.4;3.47;9998837;;;CHEMBL2172370;GENER;EPAM;25;0;"ph = 6.8, <a href=https://www.ebi.ac.uk/chembl/assay_report_card/CHEMBL2176454/  target=_blank>CHEMBL2176454</a>";;;;;;;;;-4.2;;;;;;;;;;;;"Press NJ, Taylor RJ, Fullerton JD, Tranter P, McCarthy C, Keller TH, Arnold N, Beer D, Brown L, Cheung R, Christie J, Denholm A, Haberthuer S, Hatto JD, Keenan M, Mercer MK, Oakman H, Sahri H, Tuffnell AR, Tweed M, Tyler JW, Wagner T, Fozard JR, Trifilieff A.: Solubility-driven optimization of phosphodiesterase-4 inhibitors leading to a clinical candidate. J Med Chem, Volume 55 (17), 2012";ChEMBL
MM472286;MM472286;COc1cccc(-c2nc(C3CCC(C(=O)O)CC3)cc3cccnc23)c1;LGRMMJXKINGJFV-SHTZXODSSA-N;362.43;4.66;10270013;;;CHEMBL2172372;GENER;EPAM;25;0;"ph = 6.8, <a href=https://www.ebi.ac.uk/chembl/assay_report_card/CHEMBL2176454/  target=_blank>CHEMBL2176454</a>";;;;;;;;;-3.8;;;;;;;;;;;;"Press NJ, Taylor RJ, Fullerton JD, Tranter P, McCarthy C, Keller TH, Arnold N, Beer D, Brown L, Cheung R, Christie J, Denholm A, Haberthuer S, Hatto JD, Keenan M, Mercer MK, Oakman H, Sahri H, Tuffnell AR, Tweed M, Tyler JW, Wagner T, Fozard JR, Trifilieff A.: Solubility-driven optimization of phosphodiesterase-4 inhibitors leading to a clinical candidate. J Med Chem, Volume 55 (17), 2012";ChEMBL
MM472287;MM472287;O=C(O)C1CCC(c2cc3cccnc3c(-c3cccc(OC(F)(F)F)c3)n2)CC1;KQTBOQXYPPPCCB-HDJSIYSDSA-N;416.4;5.55;10158829;;;CHEMBL2172373;GENER;EPAM;25;0;"ph = 6.8, <a href=https://www.ebi.ac.uk/chembl/assay_report_card/CHEMBL2176454/  target=_blank>CHEMBL2176454</a>";;;;;;;;;-3.9;;;;;;;;;;;;"Press NJ, Taylor RJ, Fullerton JD, Tranter P, McCarthy C, Keller TH, Arnold N, Beer D, Brown L, Cheung R, Christie J, Denholm A, Haberthuer S, Hatto JD, Keenan M, Mercer MK, Oakman H, Sahri H, Tuffnell AR, Tweed M, Tyler JW, Wagner T, Fozard JR, Trifilieff A.: Solubility-driven optimization of phosphodiesterase-4 inhibitors leading to a clinical candidate. J Med Chem, Volume 55 (17), 2012";ChEMBL
MM472288;MM472288;O=C(O)C1CCC(c2cc3cccnc3c(-c3cccc(F)c3)n2)CC1;XWVBOPKUSVZZPJ-HDJSIYSDSA-N;350.39;4.79;9924539;;;CHEMBL2172374;GENER;EPAM;25;0;"ph = 6.8, <a href=https://www.ebi.ac.uk/chembl/assay_report_card/CHEMBL2176454/  target=_blank>CHEMBL2176454</a>";;;;;;;;;-3.7;;;;;;;;;;;;"Press NJ, Taylor RJ, Fullerton JD, Tranter P, McCarthy C, Keller TH, Arnold N, Beer D, Brown L, Cheung R, Christie J, Denholm A, Haberthuer S, Hatto JD, Keenan M, Mercer MK, Oakman H, Sahri H, Tuffnell AR, Tweed M, Tyler JW, Wagner T, Fozard JR, Trifilieff A.: Solubility-driven optimization of phosphodiesterase-4 inhibitors leading to a clinical candidate. J Med Chem, Volume 55 (17), 2012";ChEMBL
MM472289;MM472289;N#Cc1cccc(-c2nc(C3CCC(C(=O)O)CC3)cc3cccnc23)c1;TWWNJXWEOLLKJT-WKILWMFISA-N;357.41;4.53;17989733;;;CHEMBL2172375;GENER;EPAM;25;0;"ph = 6.8, <a href=https://www.ebi.ac.uk/chembl/assay_report_card/CHEMBL2176454/  target=_blank>CHEMBL2176454</a>";;;;;;;;;-4;;;;;;;;;;;;"Press NJ, Taylor RJ, Fullerton JD, Tranter P, McCarthy C, Keller TH, Arnold N, Beer D, Brown L, Cheung R, Christie J, Denholm A, Haberthuer S, Hatto JD, Keenan M, Mercer MK, Oakman H, Sahri H, Tuffnell AR, Tweed M, Tyler JW, Wagner T, Fozard JR, Trifilieff A.: Solubility-driven optimization of phosphodiesterase-4 inhibitors leading to a clinical candidate. J Med Chem, Volume 55 (17), 2012";ChEMBL
MM472290;MM472290;CSc1cccc(-c2nc(C3CCC(C(=O)O)CC3)cc3cccnc23)c1;YUSMVVYYGMJNLB-SHTZXODSSA-N;378.5;5.38;10199681;;;CHEMBL2172376;GENER;EPAM;25;0;"ph = 6.8, <a href=https://www.ebi.ac.uk/chembl/assay_report_card/CHEMBL2176454/  target=_blank>CHEMBL2176454</a>";;;;;;;;;-3.9;;;;;;;;;;;;"Press NJ, Taylor RJ, Fullerton JD, Tranter P, McCarthy C, Keller TH, Arnold N, Beer D, Brown L, Cheung R, Christie J, Denholm A, Haberthuer S, Hatto JD, Keenan M, Mercer MK, Oakman H, Sahri H, Tuffnell AR, Tweed M, Tyler JW, Wagner T, Fozard JR, Trifilieff A.: Solubility-driven optimization of phosphodiesterase-4 inhibitors leading to a clinical candidate. J Med Chem, Volume 55 (17), 2012";ChEMBL
MM474481;MM474481;CC(=O)N1c2ccc(-c3ccc(C(=O)O)cc3)cc2C(Nc2ccc(Cl)cc2)CC1C;FAWSUKOIROHXAP-NPMXOYFQSA-N;434.92;6;52912222;;;CHEMBL2177300;GENER;EPAM;25;0;"<a href=https://www.ebi.ac.uk/chembl/assay_report_card/CHEMBL3383439/  target=_blank>CHEMBL3383439</a>";;;;;;;;;-5.02;;;;;;;;;;;;"Gosmini R, Nguyen VL, Toum J, Simon C, Brusq JM, Krysa G, Mirguet O, Riou-Eymard AM, Boursier EV, Trottet L, Bamborough P, Clark H, Chung CW, Cutler L, Demont EH, Kaur R, Lewis AJ, Schilling MB, Soden PE, Taylor S, Walker AL, Walker MD, Prinjha RK, Nicodème E.: The discovery of I-BET726 (GSK1324726A), a potent tetrahydroquinoline ApoA1 up-regulator and selective BET bromodomain inhibitor. J Med Chem, Volume 57 (19), 2014";ChEMBL
MM472016;MM472016;NC1c2cccnc2C(OC(=O)N2CCC(n3c(=O)[nH]c4ncccc43)CC2)CCC1c1cccc(F)c1F;;534.57;4.49;51049968;;;CHEMBL2178422;GENER;EPAM;25;0;"ph = 5.5, <a href=https://www.ebi.ac.uk/chembl/assay_report_card/CHEMBL2183294/  target=_blank>CHEMBL2183294</a>";;;;;;;;;-4.72;;;;;;;;;;;;"Luo G, Chen L, Conway CM, Denton R, Keavy D, Signor L, Kostich W, Lentz KA, Santone KS, Schartman R, Browning M, Tong G, Houston JG, Houston JG, Dubowchik GM, Macor JE.: Discovery of (5S,6S,9R)-5-amino-6-(2,3-difluorophenyl)-6,7,8,9-tetrahydro-5H-cyclohepta[b]pyridin-9-yl 4-(2-oxo-2,3-dihydro-1H-imidazo[4,5-b]pyridin-1-yl)piperidine-1-carboxylate (BMS-927711): an oral calcitonin gene-related peptide (CGRP) antagonist in clinical trials for treating migraine. J Med Chem, Volume 55 (23), 2012";ChEMBL
MM472016;MM472016;NC1c2cccnc2C(OC(=O)N2CCC(n3c(=O)[nH]c4ncccc43)CC2)CCC1c1cccc(F)c1F;;534.57;4.49;51049968;;;CHEMBL2178422;GENER;EPAM;25;0;"ph = 7.4, <a href=https://www.ebi.ac.uk/chembl/assay_report_card/CHEMBL2183293/  target=_blank>CHEMBL2183293</a>";;;;;;;;;-4.49;;;;;;;;;;;;"Luo G, Chen L, Conway CM, Denton R, Keavy D, Signor L, Kostich W, Lentz KA, Santone KS, Schartman R, Browning M, Tong G, Houston JG, Houston JG, Dubowchik GM, Macor JE.: Discovery of (5S,6S,9R)-5-amino-6-(2,3-difluorophenyl)-6,7,8,9-tetrahydro-5H-cyclohepta[b]pyridin-9-yl 4-(2-oxo-2,3-dihydro-1H-imidazo[4,5-b]pyridin-1-yl)piperidine-1-carboxylate (BMS-927711): an oral calcitonin gene-related peptide (CGRP) antagonist in clinical trials for treating migraine. J Med Chem, Volume 55 (23), 2012";ChEMBL
MM472291;MM472291;CCOC(=O)C(CCN(C)C)NC(=O)c1c(C)cc(-c2cccc(NS(=O)(=O)c3cc(C)c(Cl)cc3C)c2)cc1C;MUPBWYLCLLKSQE-MHZLTWQESA-N;600.18;5.65;71455441;;;CHEMBL2178808;GENER;EPAM;25;0;"ph = 6.8, <a href=https://www.ebi.ac.uk/chembl/assay_report_card/CHEMBL2186208/  target=_blank>CHEMBL2186208</a>";;;;;;;;;-5;;;;;;;;;;;;"Angst D, Janser P, Quancard J, Buehlmayer P, Berst F, Oberer L, Beerli C, Streiff M, Pally C, Hersperger R, Bruns C, Bassilana F, Bollbuck B.: An oral sphingosine 1-phosphate receptor 1 (S1P(1)) antagonist prodrug with efficacy in vivo: discovery, synthesis, and evaluation. J Med Chem, Volume 55 (22), 2012";ChEMBL
MM472297;MM472297;Cc1cc(S(=O)(=O)Nc2cccc(-c3cc(C)c(C(=O)NC(C)C(=O)O)c(C)c3)c2)c(C)cc1Cl;SQCOAXUEBSJCGO-SFHVURJKSA-N;515.03;5.24;59174265;;;CHEMBL2178809;GENER;EPAM;25;0;"ph = 6.8, <a href=https://www.ebi.ac.uk/chembl/assay_report_card/CHEMBL2186208/  target=_blank>CHEMBL2186208</a>";;;;;;;;;-8.3;;;;;;;;;;;;"Angst D, Janser P, Quancard J, Buehlmayer P, Berst F, Oberer L, Beerli C, Streiff M, Pally C, Hersperger R, Bruns C, Bassilana F, Bollbuck B.: An oral sphingosine 1-phosphate receptor 1 (S1P(1)) antagonist prodrug with efficacy in vivo: discovery, synthesis, and evaluation. J Med Chem, Volume 55 (22), 2012";ChEMBL
MM472296;MM472296;Cc1cc(S(=O)(=O)Nc2cccc(-c3cc(C)c(C(=O)N(C)C(C)C(=O)O)c(C)c3)c2)c(C)cc1Cl;ANOBKCGPGHZZIZ-IBGZPJMESA-N;529.06;5.59;59174152;;;CHEMBL2178810;GENER;EPAM;25;0;"ph = 6.8, <a href=https://www.ebi.ac.uk/chembl/assay_report_card/CHEMBL2186208/  target=_blank>CHEMBL2186208</a>";;;;;;;;;-7.7;;;;;;;;;;;;"Angst D, Janser P, Quancard J, Buehlmayer P, Berst F, Oberer L, Beerli C, Streiff M, Pally C, Hersperger R, Bruns C, Bassilana F, Bollbuck B.: An oral sphingosine 1-phosphate receptor 1 (S1P(1)) antagonist prodrug with efficacy in vivo: discovery, synthesis, and evaluation. J Med Chem, Volume 55 (22), 2012";ChEMBL
MM472295;MM472295;COC(=O)C(CN(C)C)N(C)C(=O)c1c(C)cc(-c2cccc(NS(=O)(=O)c3cc(C)c(Cl)cc3C)c2)cc1C;MGAPNBLQWMRDMU-SANMLTNESA-N;586.15;5.22;71462586;;;CHEMBL2178819;GENER;EPAM;25;0;"ph = 6.8, <a href=https://www.ebi.ac.uk/chembl/assay_report_card/CHEMBL2186208/  target=_blank>CHEMBL2186208</a>";;;;;;;;;-4.9;;;;;;;;;;;;"Angst D, Janser P, Quancard J, Buehlmayer P, Berst F, Oberer L, Beerli C, Streiff M, Pally C, Hersperger R, Bruns C, Bassilana F, Bollbuck B.: An oral sphingosine 1-phosphate receptor 1 (S1P(1)) antagonist prodrug with efficacy in vivo: discovery, synthesis, and evaluation. J Med Chem, Volume 55 (22), 2012";ChEMBL
MM472294;MM472294;COC(=O)C(CCN)NC(=O)c1c(C)cc(-c2cccc(NS(=O)(=O)c3cc(C)c(Cl)cc3C)c2)cc1C;NRVOGKIXBBQEHK-DEOSSOPVSA-N;558.1;4.66;71457220;;;CHEMBL2178820;GENER;EPAM;25;0;"ph = 6.8, <a href=https://www.ebi.ac.uk/chembl/assay_report_card/CHEMBL2186208/  target=_blank>CHEMBL2186208</a>";;;;;;;;;-6.8;;;;;;;;;;;;"Angst D, Janser P, Quancard J, Buehlmayer P, Berst F, Oberer L, Beerli C, Streiff M, Pally C, Hersperger R, Bruns C, Bassilana F, Bollbuck B.: An oral sphingosine 1-phosphate receptor 1 (S1P(1)) antagonist prodrug with efficacy in vivo: discovery, synthesis, and evaluation. J Med Chem, Volume 55 (22), 2012";ChEMBL
MM472293;MM472293;COC(=O)C(CCN(C)C)NC(=O)c1c(C)cc(-c2cccc(NS(=O)(=O)c3cc(C)c(Cl)cc3C)c2)cc1C;IPSUNCXYJFSPLS-SANMLTNESA-N;586.15;5.26;71450075;;;CHEMBL2178822;GENER;EPAM;25;0;"ph = 6.8, <a href=https://www.ebi.ac.uk/chembl/assay_report_card/CHEMBL2186208/  target=_blank>CHEMBL2186208</a>";;;;;;;;;-5.1;;;;;;;;;;;;"Angst D, Janser P, Quancard J, Buehlmayer P, Berst F, Oberer L, Beerli C, Streiff M, Pally C, Hersperger R, Bruns C, Bassilana F, Bollbuck B.: An oral sphingosine 1-phosphate receptor 1 (S1P(1)) antagonist prodrug with efficacy in vivo: discovery, synthesis, and evaluation. J Med Chem, Volume 55 (22), 2012";ChEMBL
MM472292;MM472292;COC(=O)C(CCN(C)C)N(C)C(=O)c1c(C)cc(-c2cccc(NS(=O)(=O)c3cc(C)c(Cl)cc3C)c2)cc1C;ONGHAXDNZOLURJ-MHZLTWQESA-N;600.18;5.61;71460884;;;CHEMBL2178823;GENER;EPAM;25;0;"ph = 6.8, <a href=https://www.ebi.ac.uk/chembl/assay_report_card/CHEMBL2186208/  target=_blank>CHEMBL2186208</a>";;;;;;;;;-4.6;;;;;;;;;;;;"Angst D, Janser P, Quancard J, Buehlmayer P, Berst F, Oberer L, Beerli C, Streiff M, Pally C, Hersperger R, Bruns C, Bassilana F, Bollbuck B.: An oral sphingosine 1-phosphate receptor 1 (S1P(1)) antagonist prodrug with efficacy in vivo: discovery, synthesis, and evaluation. J Med Chem, Volume 55 (22), 2012";ChEMBL
MM471352;MM471352;O=C(O)c1cc(-c2cccc(COc3ccc4c(=O)n(C5CCC5)sc4c3)c2)ccc1Cl;SKQGZCVEAKVCCM-UHFFFAOYSA-N;465.96;6.39;53390675;;;CHEMBL2179627;GENER;EPAM;25;0;"ph = 7.4, <a href=https://www.ebi.ac.uk/chembl/assay_report_card/CHEMBL2184420/  target=_blank>CHEMBL2184420</a>";;;;;;;;;-5.4;;;;;;;;;;;;"Sidique S, Dhanya RP, Sheffler DJ, Nickols HH, Yang L, Dahl R, Mangravita-Novo A, Smith LH, D'Souza MS, Semenova S, Conn PJ, Markou A, Cosford ND.: Orally active metabotropic glutamate subtype 2 receptor positive allosteric modulators: structure-activity relationships and assessment in a rat model of nicotine dependence. J Med Chem, Volume 55 (22), 2012";ChEMBL
MM471351;MM471351;CC(C)Cn1sc2cc(OCc3cccc(-c4ccc(Cl)c(C(=O)O)c4)c3)ccc2c1=O;FTYLVJNMIZIOOL-UHFFFAOYSA-N;467.97;6.32;53390605;;;CHEMBL2179628;GENER;EPAM;25;0;"ph = 7.4, <a href=https://www.ebi.ac.uk/chembl/assay_report_card/CHEMBL2184420/  target=_blank>CHEMBL2184420</a>";;;;;;;;;-5;;;;;;;;;;;;"Sidique S, Dhanya RP, Sheffler DJ, Nickols HH, Yang L, Dahl R, Mangravita-Novo A, Smith LH, D'Souza MS, Semenova S, Conn PJ, Markou A, Cosford ND.: Orally active metabotropic glutamate subtype 2 receptor positive allosteric modulators: structure-activity relationships and assessment in a rat model of nicotine dependence. J Med Chem, Volume 55 (22), 2012";ChEMBL
MM471350;MM471350;O=C(O)c1cc(-c2cccc(COc3ccc4c(=O)n(C5CC5)sc4c3)c2)ccc1Cl;RBQZSTHTHNKFHW-UHFFFAOYSA-N;451.93;6;53390677;;;CHEMBL2179629;GENER;EPAM;25;0;"ph = 7.4, <a href=https://www.ebi.ac.uk/chembl/assay_report_card/CHEMBL2184420/  target=_blank>CHEMBL2184420</a>";;;;;;;;;-5.5;;;;;;;;;;;;"Sidique S, Dhanya RP, Sheffler DJ, Nickols HH, Yang L, Dahl R, Mangravita-Novo A, Smith LH, D'Souza MS, Semenova S, Conn PJ, Markou A, Cosford ND.: Orally active metabotropic glutamate subtype 2 receptor positive allosteric modulators: structure-activity relationships and assessment in a rat model of nicotine dependence. J Med Chem, Volume 55 (22), 2012";ChEMBL
MM471349;MM471349;CC(C)CCn1sc2cc(OCc3cccc(-c4ccc(Cl)c(C(=O)O)c4)c3)ccc2c1=O;JUSYYLGFTXAHLX-UHFFFAOYSA-N;482;6.71;53390604;;;CHEMBL2179630;GENER;EPAM;25;0;"ph = 7.4, <a href=https://www.ebi.ac.uk/chembl/assay_report_card/CHEMBL2184420/  target=_blank>CHEMBL2184420</a>";;;;;;;;;-7.5;;;;;;;;;;;;"Sidique S, Dhanya RP, Sheffler DJ, Nickols HH, Yang L, Dahl R, Mangravita-Novo A, Smith LH, D'Souza MS, Semenova S, Conn PJ, Markou A, Cosford ND.: Orally active metabotropic glutamate subtype 2 receptor positive allosteric modulators: structure-activity relationships and assessment in a rat model of nicotine dependence. J Med Chem, Volume 55 (22), 2012";ChEMBL
MM471348;MM471348;COc1ccc(C(=O)O)cc1-c1cccc(COc2ccc3c(c2)CN(C2CCCC2)C3=O)c1;BUZSAAKSFZMGDU-UHFFFAOYSA-N;457.53;5.54;66799669;;;CHEMBL2179631;GENER;EPAM;25;0;"ph = 7.4, <a href=https://www.ebi.ac.uk/chembl/assay_report_card/CHEMBL2184420/  target=_blank>CHEMBL2184420</a>";;;;;;;;;-5.6;;;;;;;;;;;;"Sidique S, Dhanya RP, Sheffler DJ, Nickols HH, Yang L, Dahl R, Mangravita-Novo A, Smith LH, D'Souza MS, Semenova S, Conn PJ, Markou A, Cosford ND.: Orally active metabotropic glutamate subtype 2 receptor positive allosteric modulators: structure-activity relationships and assessment in a rat model of nicotine dependence. J Med Chem, Volume 55 (22), 2012";ChEMBL
MM471347;MM471347;O=C(O)c1cc(-c2cccc(COc3ccc4c(c3)CN(C3CCCC3)C4=O)c2)ccc1O;HLQQHKJXQSBRLN-UHFFFAOYSA-N;443.5;5.23;53390433;;;CHEMBL2179632;GENER;EPAM;25;0;"ph = 7.4, <a href=https://www.ebi.ac.uk/chembl/assay_report_card/CHEMBL2184420/  target=_blank>CHEMBL2184420</a>";;;;;;;;;-6.5;;;;;;;;;;;;"Sidique S, Dhanya RP, Sheffler DJ, Nickols HH, Yang L, Dahl R, Mangravita-Novo A, Smith LH, D'Souza MS, Semenova S, Conn PJ, Markou A, Cosford ND.: Orally active metabotropic glutamate subtype 2 receptor positive allosteric modulators: structure-activity relationships and assessment in a rat model of nicotine dependence. J Med Chem, Volume 55 (22), 2012";ChEMBL
MM471346;MM471346;COc1cc(C(=O)O)cc(OC)c1-c1cccc(COc2ccc3c(c2)CN(C2CCCC2)C3=O)c1;OIEJBPSIAOJISX-UHFFFAOYSA-N;487.55;5.55;53390432;;;CHEMBL2179633;GENER;EPAM;25;0;"ph = 7.4, <a href=https://www.ebi.ac.uk/chembl/assay_report_card/CHEMBL2184420/  target=_blank>CHEMBL2184420</a>";;;;;;;;;-5.5;;;;;;;;;;;;"Sidique S, Dhanya RP, Sheffler DJ, Nickols HH, Yang L, Dahl R, Mangravita-Novo A, Smith LH, D'Souza MS, Semenova S, Conn PJ, Markou A, Cosford ND.: Orally active metabotropic glutamate subtype 2 receptor positive allosteric modulators: structure-activity relationships and assessment in a rat model of nicotine dependence. J Med Chem, Volume 55 (22), 2012";ChEMBL
MM471345;MM471345;O=C(O)c1ccc(Cl)c(-c2cccc(COc3ccc4c(c3)CN(C3CCCC3)C4=O)c2)c1;WLNNHBHTIDYGLP-UHFFFAOYSA-N;461.95;6.18;53390517;;;CHEMBL2179634;GENER;EPAM;25;0;"ph = 7.4, <a href=https://www.ebi.ac.uk/chembl/assay_report_card/CHEMBL2184420/  target=_blank>CHEMBL2184420</a>";;;;;;;;;-5.9;;;;;;;;;;;;"Sidique S, Dhanya RP, Sheffler DJ, Nickols HH, Yang L, Dahl R, Mangravita-Novo A, Smith LH, D'Souza MS, Semenova S, Conn PJ, Markou A, Cosford ND.: Orally active metabotropic glutamate subtype 2 receptor positive allosteric modulators: structure-activity relationships and assessment in a rat model of nicotine dependence. J Med Chem, Volume 55 (22), 2012";ChEMBL
MM471344;MM471344;O=C(O)c1ccc(-c2cccc(COc3ccc4c(c3)CN(C3CCCC3)C4=O)c2)c(Cl)c1;PVRNAOFIVADFMO-UHFFFAOYSA-N;461.95;6.18;53390518;;;CHEMBL2179635;GENER;EPAM;25;0;"ph = 7.4, <a href=https://www.ebi.ac.uk/chembl/assay_report_card/CHEMBL2184420/  target=_blank>CHEMBL2184420</a>";;;;;;;;;-6.5;;;;;;;;;;;;"Sidique S, Dhanya RP, Sheffler DJ, Nickols HH, Yang L, Dahl R, Mangravita-Novo A, Smith LH, D'Souza MS, Semenova S, Conn PJ, Markou A, Cosford ND.: Orally active metabotropic glutamate subtype 2 receptor positive allosteric modulators: structure-activity relationships and assessment in a rat model of nicotine dependence. J Med Chem, Volume 55 (22), 2012";ChEMBL
MM471343;MM471343;Cc1ccc(C(=O)O)cc1-c1cccc(COc2ccc3c(c2)CN(C2CCCC2)C3=O)c1;WXJPZVBSFWJYDQ-UHFFFAOYSA-N;441.53;5.84;53390519;;;CHEMBL2179636;GENER;EPAM;25;0;"ph = 7.4, <a href=https://www.ebi.ac.uk/chembl/assay_report_card/CHEMBL2184420/  target=_blank>CHEMBL2184420</a>";;;;;;;;;-5.8;;;;;;;;;;;;"Sidique S, Dhanya RP, Sheffler DJ, Nickols HH, Yang L, Dahl R, Mangravita-Novo A, Smith LH, D'Souza MS, Semenova S, Conn PJ, Markou A, Cosford ND.: Orally active metabotropic glutamate subtype 2 receptor positive allosteric modulators: structure-activity relationships and assessment in a rat model of nicotine dependence. J Med Chem, Volume 55 (22), 2012";ChEMBL
MM471342;MM471342;O=C(O)c1cc(F)cc(-c2cccc(COc3ccc4c(c3)CN(C3CCCC3)C4=O)c2)c1;JHBVDFXAWLGDRG-UHFFFAOYSA-N;445.49;5.67;53390520;;;CHEMBL2179637;GENER;EPAM;25;0;"ph = 7.4, <a href=https://www.ebi.ac.uk/chembl/assay_report_card/CHEMBL2184420/  target=_blank>CHEMBL2184420</a>";;;;;;;;;-6;;;;;;;;;;;;"Sidique S, Dhanya RP, Sheffler DJ, Nickols HH, Yang L, Dahl R, Mangravita-Novo A, Smith LH, D'Souza MS, Semenova S, Conn PJ, Markou A, Cosford ND.: Orally active metabotropic glutamate subtype 2 receptor positive allosteric modulators: structure-activity relationships and assessment in a rat model of nicotine dependence. J Med Chem, Volume 55 (22), 2012";ChEMBL
MM471341;MM471341;COc1ccc(-c2cccc(COc3ccc4c(c3)CN(C3CCCC3)C4=O)c2)cc1C(=O)O;REJFICNMUKYPKE-UHFFFAOYSA-N;457.53;5.54;53390521;;;CHEMBL2179638;GENER;EPAM;25;0;"ph = 7.4, <a href=https://www.ebi.ac.uk/chembl/assay_report_card/CHEMBL2184420/  target=_blank>CHEMBL2184420</a>";;;;;;;;;-5.6;;;;;;;;;;;;"Sidique S, Dhanya RP, Sheffler DJ, Nickols HH, Yang L, Dahl R, Mangravita-Novo A, Smith LH, D'Souza MS, Semenova S, Conn PJ, Markou A, Cosford ND.: Orally active metabotropic glutamate subtype 2 receptor positive allosteric modulators: structure-activity relationships and assessment in a rat model of nicotine dependence. J Med Chem, Volume 55 (22), 2012";ChEMBL
MM471340;MM471340;O=C1c2ccc(OCc3cccc(-c4ccccc4)c3)cc2CN1C1CCCC1;POPKTGVNWBKZTD-UHFFFAOYSA-N;383.49;5.83;53390601;;;CHEMBL2179639;GENER;EPAM;25;0;"ph = 7.4, <a href=https://www.ebi.ac.uk/chembl/assay_report_card/CHEMBL2184420/  target=_blank>CHEMBL2184420</a>";;;;;;;;;-6.9;;;;;;;;;;;;"Sidique S, Dhanya RP, Sheffler DJ, Nickols HH, Yang L, Dahl R, Mangravita-Novo A, Smith LH, D'Souza MS, Semenova S, Conn PJ, Markou A, Cosford ND.: Orally active metabotropic glutamate subtype 2 receptor positive allosteric modulators: structure-activity relationships and assessment in a rat model of nicotine dependence. J Med Chem, Volume 55 (22), 2012";ChEMBL
MM471339;MM471339;Cc1ccc(C(=O)O)cc1-c1cccc(COc2ccc3c(=O)n(C4CCCC4)sc3c2)c1;VUMIBIDABVTRIS-UHFFFAOYSA-N;459.57;6.43;53390680;;;CHEMBL2179642;GENER;EPAM;25;0;"ph = 7.4, <a href=https://www.ebi.ac.uk/chembl/assay_report_card/CHEMBL2184420/  target=_blank>CHEMBL2184420</a>";;;;;;;;;-5.4;;;;;;;;;;;;"Sidique S, Dhanya RP, Sheffler DJ, Nickols HH, Yang L, Dahl R, Mangravita-Novo A, Smith LH, D'Souza MS, Semenova S, Conn PJ, Markou A, Cosford ND.: Orally active metabotropic glutamate subtype 2 receptor positive allosteric modulators: structure-activity relationships and assessment in a rat model of nicotine dependence. J Med Chem, Volume 55 (22), 2012";ChEMBL
MM471338;MM471338;O=C(O)c1cc(-c2cccc(COc3ccc4c(=O)n(C5CCCC5)sc4c3)c2)cc([N+](=O)[O-])c1;PZLYFIUJOKQBFD-UHFFFAOYSA-N;490.54;6.03;;;;;GENER;EPAM;25;+1,-1;"ph = 7.4, <a href=https://www.ebi.ac.uk/chembl/assay_report_card/CHEMBL2184420/  target=_blank>CHEMBL2184420</a>";;;;;;;;;-7.7;;;;;;;;;;;;"Sidique S, Dhanya RP, Sheffler DJ, Nickols HH, Yang L, Dahl R, Mangravita-Novo A, Smith LH, D'Souza MS, Semenova S, Conn PJ, Markou A, Cosford ND.: Orally active metabotropic glutamate subtype 2 receptor positive allosteric modulators: structure-activity relationships and assessment in a rat model of nicotine dependence. J Med Chem, Volume 55 (22), 2012";ChEMBL
MM471337;MM471337;O=C(O)c1cc(-c2cccc(COc3ccc4c(=O)n(C5CCCC5)sc4c3)c2)ccc1F;GVYAOWRIIRTALC-UHFFFAOYSA-N;463.53;6.26;53390753;;;CHEMBL2179644;GENER;EPAM;25;0;"ph = 7.4, <a href=https://www.ebi.ac.uk/chembl/assay_report_card/CHEMBL2184420/  target=_blank>CHEMBL2184420</a>";;;;;;;;;-5.4;;;;;;;;;;;;"Sidique S, Dhanya RP, Sheffler DJ, Nickols HH, Yang L, Dahl R, Mangravita-Novo A, Smith LH, D'Souza MS, Semenova S, Conn PJ, Markou A, Cosford ND.: Orally active metabotropic glutamate subtype 2 receptor positive allosteric modulators: structure-activity relationships and assessment in a rat model of nicotine dependence. J Med Chem, Volume 55 (22), 2012";ChEMBL
MM471336;MM471336;CN(C)C(=O)c1cc(-c2cccc(COc3ccc4c(=O)n(C5CCCC5)sc4c3)c2)ccc1Cl;UXFVICYNSDZOSR-UHFFFAOYSA-N;507.06;6.78;53390837;;;CHEMBL2179645;GENER;EPAM;25;0;"ph = 7.4, <a href=https://www.ebi.ac.uk/chembl/assay_report_card/CHEMBL2184420/  target=_blank>CHEMBL2184420</a>";;;;;;;;;-5.7;;;;;;;;;;;;"Sidique S, Dhanya RP, Sheffler DJ, Nickols HH, Yang L, Dahl R, Mangravita-Novo A, Smith LH, D'Souza MS, Semenova S, Conn PJ, Markou A, Cosford ND.: Orally active metabotropic glutamate subtype 2 receptor positive allosteric modulators: structure-activity relationships and assessment in a rat model of nicotine dependence. J Med Chem, Volume 55 (22), 2012";ChEMBL
MM471335;MM471335;O=C(O)c1cc(-c2cccc(-c3ccc4c(c3)CN(C3CCCC3)C4=O)c2)ccc1Cl;PPCUNFCLHSRGJB-UHFFFAOYSA-N;431.92;6.27;66799514;;;CHEMBL2179646;GENER;EPAM;25;0;"ph = 7.4, <a href=https://www.ebi.ac.uk/chembl/assay_report_card/CHEMBL2184420/  target=_blank>CHEMBL2184420</a>";;;;;;;;;-5.7;;;;;;;;;;;;"Sidique S, Dhanya RP, Sheffler DJ, Nickols HH, Yang L, Dahl R, Mangravita-Novo A, Smith LH, D'Souza MS, Semenova S, Conn PJ, Markou A, Cosford ND.: Orally active metabotropic glutamate subtype 2 receptor positive allosteric modulators: structure-activity relationships and assessment in a rat model of nicotine dependence. J Med Chem, Volume 55 (22), 2012";ChEMBL
MM474423;MM474423;CC(C)(C)c1ccc(CCN2CC=C(CCC(=O)NO)C2=O)cc1;WNAQYFYKELGZGO-UHFFFAOYSA-N;330.43;2.58;71450162;;;CHEMBL2179902;GENER;EPAM;25;0;"<a href=https://www.ebi.ac.uk/chembl/assay_report_card/CHEMBL2188660/  target=_blank>CHEMBL2188660</a>";;;;;;;;;-5.19;;;;;;;;;;;;"Choi E, Lee C, Cho M, Seo JJ, Yang JS, Oh SJ, Lee K, Park SK, Kim HM, Kwon HJ, Han G.: Property-based optimization of hydroxamate-based γ-lactam HDAC inhibitors to improve their metabolic stability and pharmacokinetic profiles. J Med Chem, Volume 55 (23), 2012";ChEMBL
MM474422;MM474422;CC(C)(C)c1ccc(CCCN2CC=C(CCC(=O)NO)C2=O)cc1;PZFGNWGVLQZJDE-UHFFFAOYSA-N;344.46;2.97;71452020;;;CHEMBL2180293;GENER;EPAM;25;0;"<a href=https://www.ebi.ac.uk/chembl/assay_report_card/CHEMBL2188660/  target=_blank>CHEMBL2188660</a>";;;;;;;;;-5.82;;;;;;;;;;;;"Choi E, Lee C, Cho M, Seo JJ, Yang JS, Oh SJ, Lee K, Park SK, Kim HM, Kwon HJ, Han G.: Property-based optimization of hydroxamate-based γ-lactam HDAC inhibitors to improve their metabolic stability and pharmacokinetic profiles. J Med Chem, Volume 55 (23), 2012";ChEMBL
MM474421;MM474421;O=C(CCC1=CCN(CCCCc2ccc(Cl)cc2)C1=O)NO;QDZALEPHZRZMHU-UHFFFAOYSA-N;336.82;2.72;71455557;;;CHEMBL2180295;GENER;EPAM;25;0;"<a href=https://www.ebi.ac.uk/chembl/assay_report_card/CHEMBL2188660/  target=_blank>CHEMBL2188660</a>";;;;;;;;;-6.31;;;;;;;;;;;;"Choi E, Lee C, Cho M, Seo JJ, Yang JS, Oh SJ, Lee K, Park SK, Kim HM, Kwon HJ, Han G.: Property-based optimization of hydroxamate-based γ-lactam HDAC inhibitors to improve their metabolic stability and pharmacokinetic profiles. J Med Chem, Volume 55 (23), 2012";ChEMBL
MM474427;MM474427;O=C(CCC1=CCN(Cc2ccc(F)cc2)C1=O)NO;OZIMHLQNMLFRMT-UHFFFAOYSA-N;278.28;1.38;71460987;;;CHEMBL2180299;GENER;EPAM;25;0;"<a href=https://www.ebi.ac.uk/chembl/assay_report_card/CHEMBL2188660/  target=_blank>CHEMBL2188660</a>";;;;;;;;;-5.71;;;;;;;;;;;;"Choi E, Lee C, Cho M, Seo JJ, Yang JS, Oh SJ, Lee K, Park SK, Kim HM, Kwon HJ, Han G.: Property-based optimization of hydroxamate-based γ-lactam HDAC inhibitors to improve their metabolic stability and pharmacokinetic profiles. J Med Chem, Volume 55 (23), 2012";ChEMBL
MM474426;MM474426;O=C(CCC1=CCN(Cc2ccc(Br)cc2)C1=O)NO;RBDTUYJXXZIFKA-UHFFFAOYSA-N;339.19;2;11772128;;;CHEMBL2180301;GENER;EPAM;25;0;"<a href=https://www.ebi.ac.uk/chembl/assay_report_card/CHEMBL2188660/  target=_blank>CHEMBL2188660</a>";;;;;;;;;-5.99;;;;;;;;;;;;"Choi E, Lee C, Cho M, Seo JJ, Yang JS, Oh SJ, Lee K, Park SK, Kim HM, Kwon HJ, Han G.: Property-based optimization of hydroxamate-based γ-lactam HDAC inhibitors to improve their metabolic stability and pharmacokinetic profiles. J Med Chem, Volume 55 (23), 2012";ChEMBL
MM474425;MM474425;CC(C)(C)c1ccc(CN2CC=C(CCC(=O)NO)C2=O)cc1;SUDCYFIXSQTCJQ-UHFFFAOYSA-N;316.4;2.54;71460988;;;CHEMBL2180304;GENER;EPAM;25;0;"<a href=https://www.ebi.ac.uk/chembl/assay_report_card/CHEMBL2188660/  target=_blank>CHEMBL2188660</a>";;;;;;;;;-5.66;;;;;;;;;;;;"Choi E, Lee C, Cho M, Seo JJ, Yang JS, Oh SJ, Lee K, Park SK, Kim HM, Kwon HJ, Han G.: Property-based optimization of hydroxamate-based γ-lactam HDAC inhibitors to improve their metabolic stability and pharmacokinetic profiles. J Med Chem, Volume 55 (23), 2012";ChEMBL
MM474424;MM474424;O=C(CCC1=CCN(Cc2cc(C(F)(F)F)cc(C(F)(F)F)c2)C1=O)NO;DVYWCDJOAHDFDQ-UHFFFAOYSA-N;396.29;3.28;71452022;;;CHEMBL2180306;GENER;EPAM;25;0;"<a href=https://www.ebi.ac.uk/chembl/assay_report_card/CHEMBL2188660/  target=_blank>CHEMBL2188660</a>";;;;;;;;;-5.55;;;;;;;;;;;;"Choi E, Lee C, Cho M, Seo JJ, Yang JS, Oh SJ, Lee K, Park SK, Kim HM, Kwon HJ, Han G.: Property-based optimization of hydroxamate-based γ-lactam HDAC inhibitors to improve their metabolic stability and pharmacokinetic profiles. J Med Chem, Volume 55 (23), 2012";ChEMBL
MM473930;MM473930;Cc1cnc2nc1-c1cccc(c1)COCC=CCOCc1cc(ccc1OCCN1CCCC1)N2;ZLRQBYKTDVAMPK-UHFFFAOYSA-N;486.62;5.27;73321266;;;CHEMBL2181088;GENER;EPAM;25;0;"<a href=https://www.ebi.ac.uk/chembl/assay_report_card/CHEMBL2183760/  target=_blank>CHEMBL2183760</a>";;;;;;;;;-4.77;;;;;;;;;;;;"William AD, Lee AC, Blanchard S, Poulsen A, Teo EL, Nagaraj H, Tan E, Chen D, Williams M, Sun ET, Goh KC, Ong WC, Goh SK, Hart S, Jayaraman R, Pasha MK, Ethirajulu K, Wood JM, Dymock BW.: Discovery of the macrocycle 11-(2-pyrrolidin-1-yl-ethoxy)-14,19-dioxa-5,7,26-triaza-tetracyclo[19.3.1.1(2,6).1(8,12)]heptacosa-1(25),2(26),3,5,8,10,12(27),16,21,23-decaene (SB1518), a potent Janus kinase 2/fms-like tyrosine kinase-3 (JAK2/FLT3) inhibitor for the treatment of myelofibrosis and lymphoma. J Med Chem, Volume 54 (13), 2011";ChEMBL
MM473929;MM473929;COc1ccc2cc1COCC=CCOCc1cc(ccc1OCCN1CCCC1)Nc1nccc-2n1;HLNMMXYNDBSAPI-UHFFFAOYSA-N;502.62;4.97;73351350;;;CHEMBL2181313;GENER;EPAM;25;0;"<a href=https://www.ebi.ac.uk/chembl/assay_report_card/CHEMBL2183760/  target=_blank>CHEMBL2183760</a>";;;;;;;;;-5;;;;;;;;;;;;"William AD, Lee AC, Blanchard S, Poulsen A, Teo EL, Nagaraj H, Tan E, Chen D, Williams M, Sun ET, Goh KC, Ong WC, Goh SK, Hart S, Jayaraman R, Pasha MK, Ethirajulu K, Wood JM, Dymock BW.: Discovery of the macrocycle 11-(2-pyrrolidin-1-yl-ethoxy)-14,19-dioxa-5,7,26-triaza-tetracyclo[19.3.1.1(2,6).1(8,12)]heptacosa-1(25),2(26),3,5,8,10,12(27),16,21,23-decaene (SB1518), a potent Janus kinase 2/fms-like tyrosine kinase-3 (JAK2/FLT3) inhibitor for the treatment of myelofibrosis and lymphoma. J Med Chem, Volume 54 (13), 2011";ChEMBL
MM473933;MM473933;CCN(CC)CCOc1ccc2cc1COCC=CCOCc1cccc(c1)-c1ccnc(n1)N2;MLIJDZYVRSRDJT-UHFFFAOYSA-N;474.61;5.21;73321238;;;CHEMBL2181329;GENER;EPAM;25;0;"<a href=https://www.ebi.ac.uk/chembl/assay_report_card/CHEMBL2183760/  target=_blank>CHEMBL2183760</a>";;;;;;;;;-4.8;;;;;;;;;;;;"William AD, Lee AC, Blanchard S, Poulsen A, Teo EL, Nagaraj H, Tan E, Chen D, Williams M, Sun ET, Goh KC, Ong WC, Goh SK, Hart S, Jayaraman R, Pasha MK, Ethirajulu K, Wood JM, Dymock BW.: Discovery of the macrocycle 11-(2-pyrrolidin-1-yl-ethoxy)-14,19-dioxa-5,7,26-triaza-tetracyclo[19.3.1.1(2,6).1(8,12)]heptacosa-1(25),2(26),3,5,8,10,12(27),16,21,23-decaene (SB1518), a potent Janus kinase 2/fms-like tyrosine kinase-3 (JAK2/FLT3) inhibitor for the treatment of myelofibrosis and lymphoma. J Med Chem, Volume 54 (13), 2011";ChEMBL
MM473931;MM473931;C1=CCOCc2cc(ccc2OCCN2CCCCC2)Nc2nccc(n2)-c2cccc(c2)COC1;VLNBTEQPYIXIMB-UHFFFAOYSA-N;486.62;5.35;73351352;;;CHEMBL2181331;GENER;EPAM;25;0;"<a href=https://www.ebi.ac.uk/chembl/assay_report_card/CHEMBL2183760/  target=_blank>CHEMBL2183760</a>";;;;;;;;;-5.41;;;;;;;;;;;;"William AD, Lee AC, Blanchard S, Poulsen A, Teo EL, Nagaraj H, Tan E, Chen D, Williams M, Sun ET, Goh KC, Ong WC, Goh SK, Hart S, Jayaraman R, Pasha MK, Ethirajulu K, Wood JM, Dymock BW.: Discovery of the macrocycle 11-(2-pyrrolidin-1-yl-ethoxy)-14,19-dioxa-5,7,26-triaza-tetracyclo[19.3.1.1(2,6).1(8,12)]heptacosa-1(25),2(26),3,5,8,10,12(27),16,21,23-decaene (SB1518), a potent Janus kinase 2/fms-like tyrosine kinase-3 (JAK2/FLT3) inhibitor for the treatment of myelofibrosis and lymphoma. J Med Chem, Volume 54 (13), 2011";ChEMBL
MM474130;MM474130;CCN(Cc1cc(C(F)(F)F)ccc1-c1cc(CC(=O)O)ccc1OC)C(=O)C1CC1;MPEHLMJOBXIHAL-UHFFFAOYSA-N;435.44;4.77;44159646;;;CHEMBL2181754;GENER;EPAM;25;0;"<a href=https://www.ebi.ac.uk/chembl/assay_report_card/CHEMBL3377767/  target=_blank>CHEMBL3377767</a>";;;;;;;;;-5.82;;;;;;;;;;;;"Alonso JA, Andrés M, Bravo M, Buil MA, Calbet M, Castro J, Eastwood PR, Eichhorn P, Esteve C, Gómez E, González J, Mir M, Petit S, Roberts RS, Vidal B, Vidal L, Vilaseca P, Zanuy M.: Structure-activity relationships (SAR) and structure-kinetic relationships (SKR) of bicyclic heteroaromatic acetic acids as potent CRTh2 antagonists I. Bioorg Med Chem Lett, Volume 24 (21), 2014";ChEMBL
MM473851;MM473851;COc1cc(Nc2c(C#N)cnc3cc(-c4coc(CN5CCN(C)CC5)c4)c(OC)cc23)c(Cl)cc1Cl;ANUHLKPVOXDYSK-UHFFFAOYSA-N;552.46;6.18;11341869;;;CHEMBL219557;GENER;EPAM;25;0;"<a href=https://www.ebi.ac.uk/chembl/assay_report_card/CHEMBL910457/  target=_blank>CHEMBL910457</a>";;;;;;;;;-5.7;;;;;;;;;;;;"Boschelli DH, Wu B, Ye F, Wang Y, Golas JM, Lucas J, Boschelli F.: Synthesis and Src kinase inhibitory activity of a series of 4-[(2,4-dichloro-5-methoxyphenyl)amino]-7-furyl-3-quinolinecarbonitriles. J Med Chem, Volume 49 (26), 2006";ChEMBL
MM474696;MM474696;C=CC(=O)NCCCCC(NC(=O)Cc1ccccc1)C(=O)N1CCN(c2cccc(C)n2)CC1;CLPJEHNKARSBTP-QHCPKHFHSA-N;477.61;2.24;71462877;;;CHEMBL2203451;GENER;EPAM;25;0;"<a href=https://www.ebi.ac.uk/chembl/assay_report_card/CHEMBL4223782/  target=_blank>CHEMBL4223782</a>";;;;;;;;;-5.06;;;;;;;;;;;;"Wodtke R, Hauser C, Ruiz-Gómez G, Jäckel E, Bauer D, Lohse M, Wong A, Pufe J, Ludwig FA, Fischer S, Hauser S, Greif D, Pisabarro MT, Pietzsch J, Pietsch M, Löser R.: N<sup>ε</sup>-Acryloyllysine Piperazides as Irreversible Inhibitors of Transglutaminase 2: Synthesis, Structure-Activity Relationships, and Pharmacokinetic Profiling. J Med Chem, Volume 61 (10), 2018";ChEMBL
MM472456;MM472456;CC(=O)Nc1nc(C)c(-c2cnc(C(C)(C)C)o2)s1;YPRWSTYMGINCCO-UHFFFAOYSA-N;279.37;3.36;;;;;GENER;EPAM;25;0;"ph = 6.2, <a href=https://www.ebi.ac.uk/chembl/assay_report_card/CHEMBL2216150/  target=_blank>CHEMBL2216150</a>";;;;;;;;;-4.05;;;;;;;;;;;;"Oka Y, Yabuuchi T, Fujii Y, Ohtake H, Wakahara S, Matsumoto K, Endo M, Tamura Y, Sekiguchi Y.: Discovery and optimization of a series of 2-aminothiazole-oxazoles as potent phosphoinositide 3-kinase γ inhibitors. Bioorg Med Chem Lett, Volume 22 (24), 2012";ChEMBL
MM472993;MM472993;CC1(C)O[C@@H]2[C@@H](CO[C@@]3(COS(N)(=O)=O)OC(C)(C)O[C@@H]23)O1;KJADKKWYZYXHBB-XBWDGYHZSA-N;339.37;-0.4;;;;;GENER;EPAM;25;0;"<a href=https://www.ebi.ac.uk/chembl/assay_report_card/CHEMBL1036963/  target=_blank>CHEMBL1036963</a>";;;;;;;;;-6.27;;;;;;;;;;;;"Lopez M, Paul B, Hofmann A, Morizzi J, Wu QK, Charman SA, Innocenti A, Vullo D, Supuran CT, Poulsen SA.: S-glycosyl primary sulfonamides--a new structural class for selective inhibition of cancer-associated carbonic anhydrases. J Med Chem, Volume 52 (20), 2009";ChEMBL
MM473934;MM473934;CC(C)N(Cc1cnc[nH]1)c1ccc(Cl)cc1;AOHLEOYTKMSKPD-UHFFFAOYSA-N;249.75;3.48;24947142;;;CHEMBL2206375;GENER;EPAM;25;0;"<a href=https://www.ebi.ac.uk/chembl/assay_report_card/CHEMBL2213511/  target=_blank>CHEMBL2213511</a>";;;;;;;;;-5.57;;;;;;;;;;;;"Galley G, Stalder H, Goergler A, Hoener MC, Norcross RD.: Optimisation of imidazole compounds as selective TAAR1 agonists: discovery of RO5073012. Bioorg Med Chem Lett, Volume 22 (16), 2012";ChEMBL
MM473938;MM473938;COc1ccc(C2c3ccc4ccccc4c3Oc3nc4c(c(N)c32)CCCC4)c(OC)c1;WVOGNNUVYUMTIT-UHFFFAOYSA-N;438.53;6;;;;;GENER;EPAM;25;0;"<a href=https://www.ebi.ac.uk/chembl/assay_report_card/CHEMBL2216413/  target=_blank>CHEMBL2216413</a>";;;;;;;;;-4.84;;;;;;;;;;;;"Maalej E, Chabchoub F, Oset-Gasque MJ, Esquivias-Pérez M, González MP, Monjas L, Pérez C, de los Ríos C, Rodríguez-Franco MI, Iriepa I, Moraleda I, Chioua M, Romero A, Marco-Contelles J, Samadi A.: Synthesis, biological assessment, and molecular modeling of racemic 7-aryl-9,10,11,12-tetrahydro-7H-benzo[7,8]chromeno[2,3-b]quinolin-8-amines as potential drugs for the treatment of Alzheimer's disease. Eur J Med Chem, Volume 54, 2012";ChEMBL
MM473937;MM473937;COc1cc(C2c3ccc4ccccc4c3Oc3nc4c(c(N)c32)CCCC4)cc(OC)c1OC;PTNYBRUJEDAMDK-UHFFFAOYSA-N;468.55;6.01;;;;;GENER;EPAM;25;0;"<a href=https://www.ebi.ac.uk/chembl/assay_report_card/CHEMBL2216413/  target=_blank>CHEMBL2216413</a>";;;;;;;;;-4.63;;;;;;;;;;;;"Maalej E, Chabchoub F, Oset-Gasque MJ, Esquivias-Pérez M, González MP, Monjas L, Pérez C, de los Ríos C, Rodríguez-Franco MI, Iriepa I, Moraleda I, Chioua M, Romero A, Marco-Contelles J, Samadi A.: Synthesis, biological assessment, and molecular modeling of racemic 7-aryl-9,10,11,12-tetrahydro-7H-benzo[7,8]chromeno[2,3-b]quinolin-8-amines as potential drugs for the treatment of Alzheimer's disease. Eur J Med Chem, Volume 54, 2012";ChEMBL
MM473936;MM473936;Nc1c2c(nc3c1C(c1ccc([N+](=O)[O-])cc1)c1ccc4ccccc4c1O3)CCCC2;SDDWKMVNUHSMAD-UHFFFAOYSA-N;423.47;5.89;;;;;GENER;EPAM;25;+1,-1;"<a href=https://www.ebi.ac.uk/chembl/assay_report_card/CHEMBL2216413/  target=_blank>CHEMBL2216413</a>";;;;;;;;;-4.79;;;;;;;;;;;;"Maalej E, Chabchoub F, Oset-Gasque MJ, Esquivias-Pérez M, González MP, Monjas L, Pérez C, de los Ríos C, Rodríguez-Franco MI, Iriepa I, Moraleda I, Chioua M, Romero A, Marco-Contelles J, Samadi A.: Synthesis, biological assessment, and molecular modeling of racemic 7-aryl-9,10,11,12-tetrahydro-7H-benzo[7,8]chromeno[2,3-b]quinolin-8-amines as potential drugs for the treatment of Alzheimer's disease. Eur J Med Chem, Volume 54, 2012";ChEMBL
MM473935;MM473935;Nc1c2c(nc3c1C(c1ccc(Cl)c(Cl)c1)c1ccc4ccccc4c1O3)CCCC2;IFYBUPQCUTZITP-UHFFFAOYSA-N;447.37;7.29;;;;;GENER;EPAM;25;0;"<a href=https://www.ebi.ac.uk/chembl/assay_report_card/CHEMBL2216413/  target=_blank>CHEMBL2216413</a>";;;;;;;;;-4.91;;;;;;;;;;;;"Maalej E, Chabchoub F, Oset-Gasque MJ, Esquivias-Pérez M, González MP, Monjas L, Pérez C, de los Ríos C, Rodríguez-Franco MI, Iriepa I, Moraleda I, Chioua M, Romero A, Marco-Contelles J, Samadi A.: Synthesis, biological assessment, and molecular modeling of racemic 7-aryl-9,10,11,12-tetrahydro-7H-benzo[7,8]chromeno[2,3-b]quinolin-8-amines as potential drugs for the treatment of Alzheimer's disease. Eur J Med Chem, Volume 54, 2012";ChEMBL
MM474523;MM474523;COc1ccc(Cl)cc1S(=O)(=O)N1CCc2ccc(C(=O)Nc3ccc(C(=O)O)cc3)cc21;SPZKHICEEDMLAD-UHFFFAOYSA-N;486.93;4.05;;;;;GENER;EPAM;25;0;"<a href=https://www.ebi.ac.uk/chembl/assay_report_card/CHEMBL3431937/  target=_blank>CHEMBL3431937</a>";;;;;;;;;-5.56;;;;;;;;;;;;"CHEMBL dataset: 10.6019/CHEMBL3431459";ChEMBL
MM472574;MM472574;C[C@@H]1CCN(C(=O)CC#N)C[C@@H]1N(C)c1ncnc2[nH]ccc12;UJLAWZDWDVHWOW-YPMHNXCESA-N;312.38;1.54;;;;;GENER;EPAM;25;0;"<a href=https://www.ebi.ac.uk/chembl/assay_report_card/CHEMBL1657319/  target=_blank>CHEMBL1657319</a>";;;;;;;;;-5.2;;;;;;;;;;;;"Thoma G, Nuninger F, Falchetto R, Hermes E, Tavares GA, Vangrevelinghe E, Zerwes HG.: Identification of a potent Janus kinase 3 inhibitor with high selectivity within the Janus kinase family. J Med Chem, Volume 54 (1), 2011";ChEMBL
MM474531;MM474531;NC(=O)c1nc(-c2cccs2)[nH]c(=O)c1O;SCXAUENZKSNKQP-UHFFFAOYSA-N;237.24;0.72;135446332;;;CHEMBL223338;GENER;EPAM;25;0;"<a href=https://www.ebi.ac.uk/chembl/assay_report_card/CHEMBL3619497/  target=_blank>CHEMBL3619497</a>";;;;;;;;;-6.15;;;;;;;;;;;;"Chapman TM, Wallace C, Gillen KJ, Bakrania P, Khurana P, Coombs PJ, Fox S, Bureau EA, Brownlees J, Melton DW, Saxty B.: N-Hydroxyimides and hydroxypyrimidinones as inhibitors of the DNA repair complex ERCC1-XPF. Bioorg Med Chem Lett, Volume 25 (19), 2015";ChEMBL
MM472620;MM472620;CCOP(=S)(NC(C)CC)Oc1cc(C)ccc1[N+](=O)[O-];OEYOMNZEMCPTKN-UHFFFAOYSA-N;332.36;3.93;;;;;GENER;EPAM;25;+1,-1;"<a href=https://www.ebi.ac.uk/chembl/assay_report_card/CHEMBL3066824/  target=_blank>CHEMBL3066824</a>";;;;;;;;;-6.4;;;;;;;;;;;;"Akamatsu M.: Importance of physicochemical properties for the design of new pesticides. J Agric Food Chem, Volume 59 (7), 2011";ChEMBL
MM472960;MM472960;O=C1NCCc2[nH]c(-c3ccncc3)cc21;DKXHSOUZPMHNIZ-UHFFFAOYSA-N;213.24;1.36;11715767;;;CHEMBL225519;GENER;EPAM;25;0;"<a href=https://www.ebi.ac.uk/chembl/assay_report_card/CHEMBL1019785/  target=_blank>CHEMBL1019785</a>";;;;;;;;;-5.74;;;;;;;;;;;;"Menichincheri M, Bargiotti A, Berthelsen J, Bertrand JA, Bossi R, Ciavolella A, Cirla A, Cristiani C, Croci V, D'Alessio R, Fasolini M, Fiorentini F, Forte B, Isacchi A, Martina K, Molinari A, Montagnoli A, Orsini P, Orzi F, Pesenti E, Pezzetta D, Pillan A, Poggesi I, Roletto F, Scolaro A, Tatò M, Tibolla M, Valsasina B, Varasi M, Volpi D, Santocanale C, Vanotti E.: First Cdc7 kinase inhibitors: pyrrolopyridinones as potent and orally active antitumor agents. 2. Lead discovery. J Med Chem, Volume 52 (2), 2009";ChEMBL
MM474417;MM474417;O=C1NCCc2[nH]c(-c3ccnc(-c4cnc5ccccc5c4)c3)cc21;OWFLADWRSCINST-UHFFFAOYSA-N;340.39;3.58;10389239;;;CHEMBL226403;GENER;EPAM;25;0;"<a href=https://www.ebi.ac.uk/chembl/assay_report_card/CHEMBL1780730/  target=_blank>CHEMBL1780730</a>";;;;;;;;;-6.22;;;;;;;;;;;;"Barf T, Kaptein A, de Wilde S, van der Heijden R, van Someren R, Demont D, Schultz-Fademrecht C, Versteegh J, van Zeeland M, Seegers N, Kazemier B, van de Kar B, van Hoek M, de Roos J, Klop H, Smeets R, Hofstra C, Hornberg J, Oubrie A.: Structure-based lead identification of ATP-competitive MK2 inhibitors. Bioorg Med Chem Lett, Volume 21 (12), 2011";ChEMBL
MM472532;MM472532;CCC(C)c1ccccc1OC(=O)NC;;207.27;2.92;;;;CHEMBL226650;GENER;EPAM;25;0;"<a href=https://www.ebi.ac.uk/chembl/assay_report_card/CHEMBL905612/  target=_blank>CHEMBL905612</a>";;;;;;;;;-4.91;;;;;;;;;;;;"Fujikawa M, Nakao K, Shimizu R, Akamatsu M.: QSAR study on permeability of hydrophobic compounds with artificial membranes. Bioorg Med Chem, Volume 15 (11), 3756-3767, 2007";ChEMBL
MM472532;MM472532;CCC(C)c1ccccc1OC(=O)NC;;207.27;2.92;;;;CHEMBL226650;GENER;EPAM;25;0;"<a href=https://www.ebi.ac.uk/chembl/assay_report_card/CHEMBL3066824/  target=_blank>CHEMBL3066824</a>";;;;;;;;;-4.91;;;;;;;;;;;;"Akamatsu M.: Importance of physicochemical properties for the design of new pesticides. J Agric Food Chem, Volume 59 (7), 2011";ChEMBL
MM472530;MM472530;COc1nn(CSP(=S)(OC)OC)c(=O)s1;;302.34;1.52;;;;CHEMBL226651;GENER;EPAM;25;0;"<a href=https://www.ebi.ac.uk/chembl/assay_report_card/CHEMBL905612/  target=_blank>CHEMBL905612</a>";;;;;;;;;-4.97;;;;;;;;;;;;"Fujikawa M, Nakao K, Shimizu R, Akamatsu M.: QSAR study on permeability of hydrophobic compounds with artificial membranes. Bioorg Med Chem, Volume 15 (11), 3756-3767, 2007";ChEMBL
MM472530;MM472530;COc1nn(CSP(=S)(OC)OC)c(=O)s1;;302.34;1.52;;;;CHEMBL226651;GENER;EPAM;25;0;"<a href=https://www.ebi.ac.uk/chembl/assay_report_card/CHEMBL3066824/  target=_blank>CHEMBL3066824</a>";;;;;;;;;-4.97;;;;;;;;;;;;"Akamatsu M.: Importance of physicochemical properties for the design of new pesticides. J Agric Food Chem, Volume 59 (7), 2011";ChEMBL
MM472526;MM472526;COP1(=S)OCc2ccccc2O1;;216.2;2.47;;;;CHEMBL226967;GENER;EPAM;25;0;"<a href=https://www.ebi.ac.uk/chembl/assay_report_card/CHEMBL905612/  target=_blank>CHEMBL905612</a>";;;;;;;;;-5.03;;;;;;;;;;;;"Fujikawa M, Nakao K, Shimizu R, Akamatsu M.: QSAR study on permeability of hydrophobic compounds with artificial membranes. Bioorg Med Chem, Volume 15 (11), 3756-3767, 2007";ChEMBL
MM472526;MM472526;COP1(=S)OCc2ccccc2O1;;216.2;2.47;;;;CHEMBL226967;GENER;EPAM;25;0;"<a href=https://www.ebi.ac.uk/chembl/assay_report_card/CHEMBL3066824/  target=_blank>CHEMBL3066824</a>";;;;;;;;;-5.03;;;;;;;;;;;;"Akamatsu M.: Importance of physicochemical properties for the design of new pesticides. J Agric Food Chem, Volume 59 (7), 2011";ChEMBL
MM472525;MM472525;CCc1ccc(C(=O)NN(C(=O)c2cc(C)cc(C)c2)C(C)(C)C)cc1;;352.48;4.45;;;;CHEMBL226968;GENER;EPAM;25;0;"<a href=https://www.ebi.ac.uk/chembl/assay_report_card/CHEMBL905612/  target=_blank>CHEMBL905612</a>";;;;;;;;;-4.8;;;;;;;;;;;;"Fujikawa M, Nakao K, Shimizu R, Akamatsu M.: QSAR study on permeability of hydrophobic compounds with artificial membranes. Bioorg Med Chem, Volume 15 (11), 3756-3767, 2007";ChEMBL
MM472525;MM472525;CCc1ccc(C(=O)NN(C(=O)c2cc(C)cc(C)c2)C(C)(C)C)cc1;;352.48;4.45;;;;CHEMBL226968;GENER;EPAM;25;0;"<a href=https://www.ebi.ac.uk/chembl/assay_report_card/CHEMBL3066824/  target=_blank>CHEMBL3066824</a>";;;;;;;;;-4.8;;;;;;;;;;;;"Akamatsu M.: Importance of physicochemical properties for the design of new pesticides. J Agric Food Chem, Volume 59 (7), 2011";ChEMBL
MM472523;MM472523;CC(C)(C)N(NC(=O)c1ccc(Cl)cc1)C(=O)c1ccccc1;;330.82;3.93;;;;CHEMBL226969;GENER;EPAM;25;0;"<a href=https://www.ebi.ac.uk/chembl/assay_report_card/CHEMBL905612/  target=_blank>CHEMBL905612</a>";;;;;;;;;-4.76;;;;;;;;;;;;"Fujikawa M, Nakao K, Shimizu R, Akamatsu M.: QSAR study on permeability of hydrophobic compounds with artificial membranes. Bioorg Med Chem, Volume 15 (11), 3756-3767, 2007";ChEMBL
MM472523;MM472523;CC(C)(C)N(NC(=O)c1ccc(Cl)cc1)C(=O)c1ccccc1;;330.82;3.93;;;;CHEMBL226969;GENER;EPAM;25;0;"<a href=https://www.ebi.ac.uk/chembl/assay_report_card/CHEMBL3066824/  target=_blank>CHEMBL3066824</a>";;;;;;;;;-4.76;;;;;;;;;;;;"Akamatsu M.: Importance of physicochemical properties for the design of new pesticides. J Agric Food Chem, Volume 59 (7), 2011";ChEMBL
MM472522;MM472522;Cc1cc(C)cc(C(=O)N(NC(=O)c2ccc3c(c2C)CCCO3)C(C)(C)C)c1;;394.52;4.52;;;;CHEMBL227020;GENER;EPAM;25;0;"<a href=https://www.ebi.ac.uk/chembl/assay_report_card/CHEMBL905612/  target=_blank>CHEMBL905612</a>";;;;;;;;;-4.78;;;;;;;;;;;;"Fujikawa M, Nakao K, Shimizu R, Akamatsu M.: QSAR study on permeability of hydrophobic compounds with artificial membranes. Bioorg Med Chem, Volume 15 (11), 3756-3767, 2007";ChEMBL
MM472522;MM472522;Cc1cc(C)cc(C(=O)N(NC(=O)c2ccc3c(c2C)CCCO3)C(C)(C)C)c1;;394.52;4.52;;;;CHEMBL227020;GENER;EPAM;25;0;"<a href=https://www.ebi.ac.uk/chembl/assay_report_card/CHEMBL3066824/  target=_blank>CHEMBL3066824</a>";;;;;;;;;-4.78;;;;;;;;;;;;"Akamatsu M.: Importance of physicochemical properties for the design of new pesticides. J Agric Food Chem, Volume 59 (7), 2011";ChEMBL
MM472527;MM472527;CCc1ccc(C)nc1;NTSLROIKFLNUIJ-UHFFFAOYSA-N;121.18;1.95;;;;;GENER;EPAM;25;0;"<a href=https://www.ebi.ac.uk/chembl/assay_report_card/CHEMBL905612/  target=_blank>CHEMBL905612</a>";;;;;;;;;-5.55;;;;;;;;;;;;"Fujikawa M, Nakao K, Shimizu R, Akamatsu M.: QSAR study on permeability of hydrophobic compounds with artificial membranes. Bioorg Med Chem, Volume 15 (11), 3756-3767, 2007";ChEMBL
MM473767;MM473767;O=C(NCc1ccc(F)cc1)c1nc(C2CCCCN2)[nH]c(=O)c1O;LQEBEYDXCBIMKY-UHFFFAOYSA-N;346.36;1.77;135446360;;;CHEMBL227497;GENER;EPAM;25;0;"<a href=https://www.ebi.ac.uk/chembl/assay_report_card/CHEMBL1060104/  target=_blank>CHEMBL1060104</a>";;;;;;;;;-7.15;;;;;;;;;;;;"Nizi E, Orsale MV, Crescenzi B, Pescatore G, Muraglia E, Alfieri A, Gardelli C, Spieser SA, Summa V.: Dihydroxy-pyrimidine and N-methylpyrimidone HIV-integrase inhibitors: improving cell based activity by the quaternarization of a chiral center. Bioorg Med Chem Lett, Volume 19 (16), 2009";ChEMBL
MM473945;MM473945;CCC(CO)Nc1nc(Nc2cc(Cl)cc(Cl)c2)ncc1C(=O)NC1CCN(C)CC1;DSXGDZUOCYHJFB-HNNXBMFYSA-N;467.4;3.53;71553151;;;CHEMBL2311550;GENER;EPAM;25;0;"<a href=https://www.ebi.ac.uk/chembl/assay_report_card/CHEMBL2317797/  target=_blank>CHEMBL2317797</a>";;;;;;;;;-5.7;;;;;;;;;;;;"Powell NA, Hoffman JK, Ciske FL, Kohrt JT, Baxi SM, Peng YW, Zhong M, Catana C, Ohren J, Perrin LA, Edmunds JJ.: Optimization of highly selective 2,4-diaminopyrimidine-5-carboxamide inhibitors of Sky kinase. Bioorg Med Chem Lett, Volume 23 (4), 2013";ChEMBL
MM473954;MM473954;O=C(NCCCN1CCCC1=O)c1cnc(NCc2cc(Cl)ccc2Cl)nc1NC1CCCC1;VDKBGBCLPKTOGS-UHFFFAOYSA-N;505.45;4.49;71552941;;;CHEMBL2312303;GENER;EPAM;25;0;"<a href=https://www.ebi.ac.uk/chembl/assay_report_card/CHEMBL2317797/  target=_blank>CHEMBL2317797</a>";;;;;;;;;-7;;;;;;;;;;;;"Powell NA, Hoffman JK, Ciske FL, Kohrt JT, Baxi SM, Peng YW, Zhong M, Catana C, Ohren J, Perrin LA, Edmunds JJ.: Optimization of highly selective 2,4-diaminopyrimidine-5-carboxamide inhibitors of Sky kinase. Bioorg Med Chem Lett, Volume 23 (4), 2013";ChEMBL
MM473952;MM473952;COc1ccccc1CNc1ncc(C(=O)NCCNC(C)=O)c(NC2CCCC2)n1;ORYKMIWQJHCMKB-UHFFFAOYSA-N;426.52;2.32;71553008;;;CHEMBL2312343;GENER;EPAM;25;0;"<a href=https://www.ebi.ac.uk/chembl/assay_report_card/CHEMBL2317797/  target=_blank>CHEMBL2317797</a>";;;;;;;;;-5.72;;;;;;;;;;;;"Powell NA, Hoffman JK, Ciske FL, Kohrt JT, Baxi SM, Peng YW, Zhong M, Catana C, Ohren J, Perrin LA, Edmunds JJ.: Optimization of highly selective 2,4-diaminopyrimidine-5-carboxamide inhibitors of Sky kinase. Bioorg Med Chem Lett, Volume 23 (4), 2013";ChEMBL
MM473951;MM473951;COc1ccccc1CNc1ncc(C(=O)NCCc2nn[nH]n2)c(NC2CCCC2)n1;PRVYCULSPLQIDK-UHFFFAOYSA-N;437.51;1.94;71553009;;;CHEMBL2312643;GENER;EPAM;25;0;"<a href=https://www.ebi.ac.uk/chembl/assay_report_card/CHEMBL2317797/  target=_blank>CHEMBL2317797</a>";;;;;;;;;-4.68;;;;;;;;;;;;"Powell NA, Hoffman JK, Ciske FL, Kohrt JT, Baxi SM, Peng YW, Zhong M, Catana C, Ohren J, Perrin LA, Edmunds JJ.: Optimization of highly selective 2,4-diaminopyrimidine-5-carboxamide inhibitors of Sky kinase. Bioorg Med Chem Lett, Volume 23 (4), 2013";ChEMBL
MM473950;MM473950;COc1ccccc1CNc1ncc(C(=O)NC2CCN(C)CC2)c(NC2CCCC2)n1;IHJZXCJKSRQJCM-UHFFFAOYSA-N;438.58;3.28;71553011;;;CHEMBL2312645;GENER;EPAM;25;0;"<a href=https://www.ebi.ac.uk/chembl/assay_report_card/CHEMBL2317797/  target=_blank>CHEMBL2317797</a>";;;;;;;;;-5.92;;;;;;;;;;;;"Powell NA, Hoffman JK, Ciske FL, Kohrt JT, Baxi SM, Peng YW, Zhong M, Catana C, Ohren J, Perrin LA, Edmunds JJ.: Optimization of highly selective 2,4-diaminopyrimidine-5-carboxamide inhibitors of Sky kinase. Bioorg Med Chem Lett, Volume 23 (4), 2013";ChEMBL
MM473949;MM473949;CN1CCC(NC(=O)c2cnc(NCc3cc(Cl)ccc3Cl)nc2NC2CCCC2)CC1;PRAFFLMXUBGHGX-UHFFFAOYSA-N;477.44;4.57;71553012;;;CHEMBL2312646;GENER;EPAM;25;0;"<a href=https://www.ebi.ac.uk/chembl/assay_report_card/CHEMBL2317797/  target=_blank>CHEMBL2317797</a>";;;;;;;;;-7.7;;;;;;;;;;;;"Powell NA, Hoffman JK, Ciske FL, Kohrt JT, Baxi SM, Peng YW, Zhong M, Catana C, Ohren J, Perrin LA, Edmunds JJ.: Optimization of highly selective 2,4-diaminopyrimidine-5-carboxamide inhibitors of Sky kinase. Bioorg Med Chem Lett, Volume 23 (4), 2013";ChEMBL
MM473948;MM473948;CN1CCC(NC(=O)c2cnc(NCc3cc(Cl)ccc3Cl)nc2NC2CCC(N(C)C)CC2)CC1;LQMDBOVNAUGROB-UHFFFAOYSA-N;534.54;4.5;71553084;;;CHEMBL2312648;GENER;EPAM;25;0;"<a href=https://www.ebi.ac.uk/chembl/assay_report_card/CHEMBL2317797/  target=_blank>CHEMBL2317797</a>";;;;;;;;;-5.7;;;;;;;;;;;;"Powell NA, Hoffman JK, Ciske FL, Kohrt JT, Baxi SM, Peng YW, Zhong M, Catana C, Ohren J, Perrin LA, Edmunds JJ.: Optimization of highly selective 2,4-diaminopyrimidine-5-carboxamide inhibitors of Sky kinase. Bioorg Med Chem Lett, Volume 23 (4), 2013";ChEMBL
MM473947;MM473947;CN1CCC(NC(=O)c2cnc(Nc3cc(Cl)cc(Cl)c3)nc2NC2CCC(N(C)C)CC2)CC1;SQKBBDOFPPNVCL-UHFFFAOYSA-N;520.51;4.64;71553085;;;CHEMBL2312649;GENER;EPAM;25;0;"<a href=https://www.ebi.ac.uk/chembl/assay_report_card/CHEMBL2317797/  target=_blank>CHEMBL2317797</a>";;;;;;;;;-6.52;;;;;;;;;;;;"Powell NA, Hoffman JK, Ciske FL, Kohrt JT, Baxi SM, Peng YW, Zhong M, Catana C, Ohren J, Perrin LA, Edmunds JJ.: Optimization of highly selective 2,4-diaminopyrimidine-5-carboxamide inhibitors of Sky kinase. Bioorg Med Chem Lett, Volume 23 (4), 2013";ChEMBL
MM473946;MM473946;CN1CCC(NC(=O)c2cnc(Nc3cc(Cl)cc(Cl)c3)nc2NC2CCCCNC2=O)CC1;XGMASFFIBAMSSU-IBGZPJMESA-N;506.44;3.43;71553087;;;CHEMBL2312651;GENER;EPAM;25;0;"<a href=https://www.ebi.ac.uk/chembl/assay_report_card/CHEMBL2317797/  target=_blank>CHEMBL2317797</a>";;;;;;;;;-6.7;;;;;;;;;;;;"Powell NA, Hoffman JK, Ciske FL, Kohrt JT, Baxi SM, Peng YW, Zhong M, Catana C, Ohren J, Perrin LA, Edmunds JJ.: Optimization of highly selective 2,4-diaminopyrimidine-5-carboxamide inhibitors of Sky kinase. Bioorg Med Chem Lett, Volume 23 (4), 2013";ChEMBL
MM473944;MM473944;CN1CCC(NC(=O)c2cnc(Nc3cc(Cl)cc(Cl)c3)nc2NC2COCC2O)CC1;PIKLKDCPFVVYDK-QZTJIDSGSA-N;481.38;2.52;71553152;;;CHEMBL2312652;GENER;EPAM;25;0;"<a href=https://www.ebi.ac.uk/chembl/assay_report_card/CHEMBL2317797/  target=_blank>CHEMBL2317797</a>";;;;;;;;;-5.85;;;;;;;;;;;;"Powell NA, Hoffman JK, Ciske FL, Kohrt JT, Baxi SM, Peng YW, Zhong M, Catana C, Ohren J, Perrin LA, Edmunds JJ.: Optimization of highly selective 2,4-diaminopyrimidine-5-carboxamide inhibitors of Sky kinase. Bioorg Med Chem Lett, Volume 23 (4), 2013";ChEMBL
MM473943;MM473943;Cc1cc(-c2cnc(Nc3cc(Cl)cc(Cl)c3)nc2NC2CCNCC2)on1;SFMKVXGJJGANQK-UHFFFAOYSA-N;419.32;4.65;71553153;;;CHEMBL2312653;GENER;EPAM;25;0;"<a href=https://www.ebi.ac.uk/chembl/assay_report_card/CHEMBL2317797/  target=_blank>CHEMBL2317797</a>";;;;;;;;;-6.7;;;;;;;;;;;;"Powell NA, Hoffman JK, Ciske FL, Kohrt JT, Baxi SM, Peng YW, Zhong M, Catana C, Ohren J, Perrin LA, Edmunds JJ.: Optimization of highly selective 2,4-diaminopyrimidine-5-carboxamide inhibitors of Sky kinase. Bioorg Med Chem Lett, Volume 23 (4), 2013";ChEMBL
MM473942;MM473942;Cc1cc(-c2cnc(Nc3cc(Cl)cc(Cl)c3)nc2NC2CCC(N(C)C)CC2)on1;ZTSOUDMNSOYCTG-UHFFFAOYSA-N;461.4;5.78;71553154;;;CHEMBL2312654;GENER;EPAM;25;0;"<a href=https://www.ebi.ac.uk/chembl/assay_report_card/CHEMBL2317797/  target=_blank>CHEMBL2317797</a>";;;;;;;;;-7.52;;;;;;;;;;;;"Powell NA, Hoffman JK, Ciske FL, Kohrt JT, Baxi SM, Peng YW, Zhong M, Catana C, Ohren J, Perrin LA, Edmunds JJ.: Optimization of highly selective 2,4-diaminopyrimidine-5-carboxamide inhibitors of Sky kinase. Bioorg Med Chem Lett, Volume 23 (4), 2013";ChEMBL
MM473941;MM473941;OC1COCC1Nc1nc(Nc2cc(Cl)cc(Cl)c2)ncc1-c1cccnc1;ALEHKALCLNFZHW-IAGOWNOFSA-N;418.28;3.76;71553155;;;CHEMBL2312655;GENER;EPAM;25;0;"<a href=https://www.ebi.ac.uk/chembl/assay_report_card/CHEMBL2317797/  target=_blank>CHEMBL2317797</a>";;;;;;;;;-6;;;;;;;;;;;;"Powell NA, Hoffman JK, Ciske FL, Kohrt JT, Baxi SM, Peng YW, Zhong M, Catana C, Ohren J, Perrin LA, Edmunds JJ.: Optimization of highly selective 2,4-diaminopyrimidine-5-carboxamide inhibitors of Sky kinase. Bioorg Med Chem Lett, Volume 23 (4), 2013";ChEMBL
MM473940;MM473940;OC1COCC1Nc1nc(Nc2cc(Cl)cc(Cl)c2)ncc1Br;CYYFQJUQUMBOSB-VXGBXAGGSA-N;420.09;3.46;71553236;;;CHEMBL2312657;GENER;EPAM;25;0;"<a href=https://www.ebi.ac.uk/chembl/assay_report_card/CHEMBL2317797/  target=_blank>CHEMBL2317797</a>";;;;;;;;;-6.52;;;;;;;;;;;;"Powell NA, Hoffman JK, Ciske FL, Kohrt JT, Baxi SM, Peng YW, Zhong M, Catana C, Ohren J, Perrin LA, Edmunds JJ.: Optimization of highly selective 2,4-diaminopyrimidine-5-carboxamide inhibitors of Sky kinase. Bioorg Med Chem Lett, Volume 23 (4), 2013";ChEMBL
MM473953;MM473953;COc1ccccc1CNc1ncc(C(=O)NCCCO)c(NC2CCCC2)n1;LXSBESSANKCKCG-UHFFFAOYSA-N;399.5;2.56;71553007;;;CHEMBL2312658;GENER;EPAM;25;0;"<a href=https://www.ebi.ac.uk/chembl/assay_report_card/CHEMBL2317797/  target=_blank>CHEMBL2317797</a>";;;;;;;;;-6.05;;;;;;;;;;;;"Powell NA, Hoffman JK, Ciske FL, Kohrt JT, Baxi SM, Peng YW, Zhong M, Catana C, Ohren J, Perrin LA, Edmunds JJ.: Optimization of highly selective 2,4-diaminopyrimidine-5-carboxamide inhibitors of Sky kinase. Bioorg Med Chem Lett, Volume 23 (4), 2013";ChEMBL
MM473939;MM473939;O=C(NC1CCCC1OCc1ccccc1)C1CCN(c2nc3cc(Cl)ccc3o2)CC1;ADUCABZHOQVMAT-UNMCSNQZSA-N;453.97;4.95;71720415;;;CHEMBL2315853;GENER;EPAM;25;0;"<a href=https://www.ebi.ac.uk/chembl/assay_report_card/CHEMBL2321394/  target=_blank>CHEMBL2321394</a>";;;;;;;;;-5.89;;;;;;;;;;;;"Kablaoui N, Patel S, Shao J, Demian D, Hoffmaster K, Berlioz F, Vazquez ML, Moore WM, Nugent RA.: Novel benzoxazole inhibitors of mPGES-1. Bioorg Med Chem Lett, Volume 23 (3), 2013";ChEMBL
MM474428;MM474428;CCOC1CC2CN(C(=O)C(NC(=O)C(C)NC)C3CCC(F)(F)CC3)C(C(=O)NC3CCOc4ccccc43)CN2C1;WQLHYSFOEZZZDD-QAPMSZJWSA-N;605.73;2.23;50913339;;;CHEMBL2316217;GENER;EPAM;25;0;"<a href=https://www.ebi.ac.uk/chembl/assay_report_card/CHEMBL2318317/  target=_blank>CHEMBL2318317</a>";;;;;;;;;-5.36;;;;;;;;;;;;"Hashimoto K, Saito B, Miyamoto N, Oguro Y, Tomita D, Shiokawa Z, Asano M, Kakei H, Taya N, Kawasaki M, Sumi H, Yabuki M, Iwai K, Yoshida S, Yoshimatsu M, Aoyama K, Kosugi Y, Kojima T, Morishita N, Dougan DR, Snell GP, Imamura S, Ishikawa T.: Design and synthesis of potent inhibitor of apoptosis (IAP) proteins antagonists bearing an octahydropyrrolo[1,2-a]pyrazine scaffold as a novel proline mimetic. J Med Chem, Volume 56 (3), 2013";ChEMBL
MM478483;MM478483;CN(C)CC[C@H](CSc1ccccc1)Nc1ccc(S(=O)(=O)NC2=NS(=O)(=O)c3cc(N4CCN(Cc5ccccc5-c5ccc(Cl)cc5)CC4)ccc32)cc1[N+](=O)[O-];;874.51;7.19;;;;CHEMBL2322027;GENER;EPAM;25;+1,-1;"<a href=https://www.ebi.ac.uk/chembl/assay_report_card/CHEMBL2328202/  target=_blank>CHEMBL2328202</a>";;;;;;;;;-6;;;;;;;;;;;;"Touré BB, Miller-Moslin K, Yusuff N, Perez L, Doré M, Joud C, Michael W, DiPietro L, van der Plas S, McEwan M, Lenoir F, Hoe M, Karki R, Springer C, Sullivan J, Levine K, Fiorilla C, Xie X, Kulathila R, Herlihy K, Porter D, Visser M.: The role of the acidity of N-heteroaryl sulfonamides as inhibitors of bcl-2 family protein-protein interactions. ACS Med Chem Lett, Volume 4 (2), 2013";ChEMBL
MM473956;MM473956;CCc1nc2c(C)cn(Cc3ccccc3C)c(=O)c2n1C1CCc2cc(-c3ccccc3-c3nn[nH]n3)ccc21;HMHFJSKWETWSSD-NDEPHWFRSA-N;541.66;5.81;71520500;;;CHEMBL2322175;GENER;EPAM;25;0;"<a href=https://www.ebi.ac.uk/chembl/assay_report_card/CHEMBL2327547/  target=_blank>CHEMBL2327547</a>";;;;;;;;;-5.15;;;;;;;;;;;;"Casimiro-Garcia A, Heemstra RJ, Bigge CF, Chen J, Ciske FA, Davis JA, Ellis T, Esmaeil N, Flynn D, Han S, Jalaie M, Ohren JF, Powell NA.: Design, synthesis, and evaluation of imidazo[4,5-c]pyridin-4-one derivatives with dual activity at angiotensin II type 1 receptor and peroxisome proliferator-activated receptor-γ. Bioorg Med Chem Lett, Volume 23 (3), 2013";ChEMBL
Lisinopril;MM00763;NCCCCC(NC(CCc1ccccc1)C(=O)O)C(=O)N1CCCC1C(=O)O;RLAWWYSOJDYHDC-UHFFFAOYSA-N;405.5;1.24;5362119;DB00722;LPR;CHEMBL1237;GENER;EPAM;25;0;"ph = 6.5, <a href=https://www.ebi.ac.uk/chembl/assay_report_card/CHEMBL1046150/  target=_blank>CHEMBL1046150</a>";;;;;;;;;-6.22;;;;;;;;;;;;"Tam KY, Avdeef A, Tsinman O, Sun N.: The permeation of amphoteric drugs through artificial membranes--an in combo absorption model based on paracellular and transmembrane permeability. J Med Chem, Volume 53 (1), 392-401, 2010";ChEMBL
MM473955;MM473955;CCc1nc2c(C)cn(Cc3ccccc3C#N)c(=O)c2n1C1CCc2cc(-c3ccccc3-c3nn[nH]n3)ccc21;RAUNYZMCEZPALE-NDEPHWFRSA-N;552.64;5.37;71520501;;;CHEMBL2322176;GENER;EPAM;25;0;"<a href=https://www.ebi.ac.uk/chembl/assay_report_card/CHEMBL2327547/  target=_blank>CHEMBL2327547</a>";;;;;;;;;-4.72;;;;;;;;;;;;"Casimiro-Garcia A, Heemstra RJ, Bigge CF, Chen J, Ciske FA, Davis JA, Ellis T, Esmaeil N, Flynn D, Han S, Jalaie M, Ohren JF, Powell NA.: Design, synthesis, and evaluation of imidazo[4,5-c]pyridin-4-one derivatives with dual activity at angiotensin II type 1 receptor and peroxisome proliferator-activated receptor-γ. Bioorg Med Chem Lett, Volume 23 (3), 2013";ChEMBL
MM473958;MM473958;CCc1nc2ccn(Cc3ccccc3C)c(=O)c2n1C1CCc2cc(-c3ccccc3-c3nn[nH]n3)ccc21;RTDOCGJRLLGHRA-NDEPHWFRSA-N;527.63;5.5;71521302;;;CHEMBL2322444;GENER;EPAM;25;0;"<a href=https://www.ebi.ac.uk/chembl/assay_report_card/CHEMBL2327547/  target=_blank>CHEMBL2327547</a>";;;;;;;;;-5.44;;;;;;;;;;;;"Casimiro-Garcia A, Heemstra RJ, Bigge CF, Chen J, Ciske FA, Davis JA, Ellis T, Esmaeil N, Flynn D, Han S, Jalaie M, Ohren JF, Powell NA.: Design, synthesis, and evaluation of imidazo[4,5-c]pyridin-4-one derivatives with dual activity at angiotensin II type 1 receptor and peroxisome proliferator-activated receptor-γ. Bioorg Med Chem Lett, Volume 23 (3), 2013";ChEMBL
MM473957;MM473957;CCc1nc2ccn(Cc3ccccc3C#N)c(=O)c2n1C1CCc2cc(-c3ccccc3-c3nn[nH]n3)ccc21;NBDDZFPMRAAKFW-NDEPHWFRSA-N;538.62;5.06;71521416;;;CHEMBL2322445;GENER;EPAM;25;0;"<a href=https://www.ebi.ac.uk/chembl/assay_report_card/CHEMBL2327547/  target=_blank>CHEMBL2327547</a>";;;;;;;;;-4.97;;;;;;;;;;;;"Casimiro-Garcia A, Heemstra RJ, Bigge CF, Chen J, Ciske FA, Davis JA, Ellis T, Esmaeil N, Flynn D, Han S, Jalaie M, Ohren JF, Powell NA.: Design, synthesis, and evaluation of imidazo[4,5-c]pyridin-4-one derivatives with dual activity at angiotensin II type 1 receptor and peroxisome proliferator-activated receptor-γ. Bioorg Med Chem Lett, Volume 23 (3), 2013";ChEMBL
MM471866;MM471866;O=C(Nc1ccc(F)c(-c2nc3ccccc3o2)c1)c1cc([N+](=O)[O-])ccc1Cl;GIQMATYCAIMWNC-UHFFFAOYSA-N;411.78;5.45;;;;;GENER;EPAM;25;+1,-1;"ph = 7.4, <a href=https://www.ebi.ac.uk/chembl/assay_report_card/CHEMBL2330999/  target=_blank>CHEMBL2330999</a>";;;;;;;;;-3.44;;;;;;;;;;;;"Hwang JY, Smithson D, Zhu F, Holbrook G, Connelly MC, Kaiser M, Brun R, Guy RK.: Optimization of chloronitrobenzamides (CNBs) as therapeutic leads for human African trypanosomiasis (HAT). J Med Chem, Volume 56 (7), 2013";ChEMBL
MM472472;MM472472;Cc1ccc(-c2nc3ccccc3s2)cc1NC(=O)c1cc([N+](=O)[O-])c(N2CCNCC2)cc1Cl;MTSCMBHUKFZIDO-UHFFFAOYSA-N;508;5.5;;;;;GENER;EPAM;25;+1,-1;"ph = 3, <a href=https://www.ebi.ac.uk/chembl/assay_report_card/CHEMBL2331000/  target=_blank>CHEMBL2331000</a>";;;;;;;;;-6.22;;;;;;;;;;;;"Hwang JY, Smithson D, Zhu F, Holbrook G, Connelly MC, Kaiser M, Brun R, Guy RK.: Optimization of chloronitrobenzamides (CNBs) as therapeutic leads for human African trypanosomiasis (HAT). J Med Chem, Volume 56 (7), 2013";ChEMBL
MM471865;MM471865;CN1CCN(c2cc(Cl)c(C(=O)Nc3cccc(-c4nc5ccccc5s4)c3)cc2[N+](=O)[O-])CC1;;508;5.53;;;;CHEMBL2324281;GENER;EPAM;25;+1,-1;"ph = 3, <a href=https://www.ebi.ac.uk/chembl/assay_report_card/CHEMBL2331000/  target=_blank>CHEMBL2331000</a>";;;;;;;;;-3.97;;;;;;;;;;;;"Hwang JY, Smithson D, Zhu F, Holbrook G, Connelly MC, Kaiser M, Brun R, Guy RK.: Optimization of chloronitrobenzamides (CNBs) as therapeutic leads for human African trypanosomiasis (HAT). J Med Chem, Volume 56 (7), 2013";ChEMBL
MM471865;MM471865;CN1CCN(c2cc(Cl)c(C(=O)Nc3cccc(-c4nc5ccccc5s4)c3)cc2[N+](=O)[O-])CC1;;508;5.53;;;;CHEMBL2324281;GENER;EPAM;25;+1,-1;"ph = 7.4, <a href=https://www.ebi.ac.uk/chembl/assay_report_card/CHEMBL2330999/  target=_blank>CHEMBL2330999</a>";;;;;;;;;-3.44;;;;;;;;;;;;"Hwang JY, Smithson D, Zhu F, Holbrook G, Connelly MC, Kaiser M, Brun R, Guy RK.: Optimization of chloronitrobenzamides (CNBs) as therapeutic leads for human African trypanosomiasis (HAT). J Med Chem, Volume 56 (7), 2013";ChEMBL
MM471864;MM471864;COc1ccc(-c2nc3ccccc3s2)cc1NC(=O)c1cc([N+](=O)[O-])c(N2CCN(C)CC2)cc1Cl;YUTCLQRXYAPUDF-UHFFFAOYSA-N;538.03;5.54;;;;;GENER;EPAM;25;+1,-1;"ph = 7.4, <a href=https://www.ebi.ac.uk/chembl/assay_report_card/CHEMBL2330999/  target=_blank>CHEMBL2330999</a>";;;;;;;;;-3.17;;;;;;;;;;;;"Hwang JY, Smithson D, Zhu F, Holbrook G, Connelly MC, Kaiser M, Brun R, Guy RK.: Optimization of chloronitrobenzamides (CNBs) as therapeutic leads for human African trypanosomiasis (HAT). J Med Chem, Volume 56 (7), 2013";ChEMBL
MM471869;MM471869;O=C(Nc1cccc(-c2nc3ccccc3s2)c1)c1cc([N+](=O)[O-])c(N2CCNCC2)cc1Cl;NDUWRXUTSVKPNT-UHFFFAOYSA-N;493.98;5.19;;;;;GENER;EPAM;25;+1,-1;"ph = 7.4, <a href=https://www.ebi.ac.uk/chembl/assay_report_card/CHEMBL2330999/  target=_blank>CHEMBL2330999</a>";;;;;;;;;-3.56;;;;;;;;;;;;"Hwang JY, Smithson D, Zhu F, Holbrook G, Connelly MC, Kaiser M, Brun R, Guy RK.: Optimization of chloronitrobenzamides (CNBs) as therapeutic leads for human African trypanosomiasis (HAT). J Med Chem, Volume 56 (7), 2013";ChEMBL
MM472469;MM472469;O=C(Nc1cccc(-c2nc3ccccc3s2)c1)c1cc([N+](=O)[O-])c(N2CCOCC2)cc1Cl;ZVSJDNXCWBAMPO-UHFFFAOYSA-N;494.96;5.61;;;;;GENER;EPAM;25;+1,-1;"ph = 3, <a href=https://www.ebi.ac.uk/chembl/assay_report_card/CHEMBL2331000/  target=_blank>CHEMBL2331000</a>";;;;;;;;;-3.97;;;;;;;;;;;;"Hwang JY, Smithson D, Zhu F, Holbrook G, Connelly MC, Kaiser M, Brun R, Guy RK.: Optimization of chloronitrobenzamides (CNBs) as therapeutic leads for human African trypanosomiasis (HAT). J Med Chem, Volume 56 (7), 2013";ChEMBL
MM471868;MM471868;O=C(Nc1cccc(-c2nc3ccccc3s2)c1)c1cc([N+](=O)[O-])c(O)cc1Cl;GLWDSTYVWPTHEW-UHFFFAOYSA-N;425.85;5.48;;;;;GENER;EPAM;25;+1,-1;"ph = 7.4, <a href=https://www.ebi.ac.uk/chembl/assay_report_card/CHEMBL2330999/  target=_blank>CHEMBL2330999</a>";;;;;;;;;-3.51;;;;;;;;;;;;"Hwang JY, Smithson D, Zhu F, Holbrook G, Connelly MC, Kaiser M, Brun R, Guy RK.: Optimization of chloronitrobenzamides (CNBs) as therapeutic leads for human African trypanosomiasis (HAT). J Med Chem, Volume 56 (7), 2013";ChEMBL
MM472470;MM472470;Cc1ccc(-c2nc3ccccc3s2)cc1NC(=O)c1cc([N+](=O)[O-])c(N2CCN(C)CC2)cc1Cl;VYORSAKQRKOOSR-UHFFFAOYSA-N;522.03;5.84;;;;;GENER;EPAM;25;+1,-1;"ph = 3, <a href=https://www.ebi.ac.uk/chembl/assay_report_card/CHEMBL2331000/  target=_blank>CHEMBL2331000</a>";;;;;;;;;-4.22;;;;;;;;;;;;"Hwang JY, Smithson D, Zhu F, Holbrook G, Connelly MC, Kaiser M, Brun R, Guy RK.: Optimization of chloronitrobenzamides (CNBs) as therapeutic leads for human African trypanosomiasis (HAT). J Med Chem, Volume 56 (7), 2013";ChEMBL
MM473705;MM473705;CS(=O)(=O)c1ccc(-c2nnc(C=Cc3nnc(-c4ccc(C#N)cc4)o3)n2-c2ccccc2Cl)nc1;HIWVLHPKZNBSBE-OUKQBFOZSA-N;529.97;4.48;67960134;;;CHEMBL2325503;GENER;EPAM;25;0;"<a href=https://www.ebi.ac.uk/chembl/assay_report_card/CHEMBL4345400/  target=_blank>CHEMBL4345400</a>";;;;;;;;;-4.94;;;;;;;;;;;;"Shirai F, Mizutani A, Yashiroda Y, Tsumura T, Kano Y, Muramatsu Y, Chikada T, Yuki H, Niwa H, Sato S, Washizuka K, Koda Y, Mazaki Y, Jang MK, Yoshida H, Nagamori A, Okue M, Watanabe T, Kitamura K, Shitara E, Honma T, Umehara T, Shirouzu M, Fukami T, Seimiya H, Yoshida M, Koyama H.: Design and Discovery of an Orally Efficacious Spiroindolinone-Based Tankyrase Inhibitor for the Treatment of Colon Cancer. J Med Chem, Volume 63 (8), 2020";ChEMBL
MM471863;MM471863;O=C(Nc1cccc(-c2nc3ccccc3o2)c1)c1cc([N+](=O)[O-])ccc1Cl;WVTJYJLSLTZNSB-UHFFFAOYSA-N;393.79;5.31;;;;;GENER;EPAM;25;+1,-1;"ph = 7.4, <a href=https://www.ebi.ac.uk/chembl/assay_report_card/CHEMBL2330999/  target=_blank>CHEMBL2330999</a>";;;;;;;;;-4.35;;;;;;;;;;;;"Hwang JY, Smithson D, Zhu F, Holbrook G, Connelly MC, Kaiser M, Brun R, Guy RK.: Optimization of chloronitrobenzamides (CNBs) as therapeutic leads for human African trypanosomiasis (HAT). J Med Chem, Volume 56 (7), 2013";ChEMBL
MM471871;MM471871;O=C(Nc1nc2c(Cl)cccc2s1)c1cc([N+](=O)[O-])ccc1Cl;KAPIDRIHHMLAKG-UHFFFAOYSA-N;368.2;4.76;;;;;GENER;EPAM;25;+1,-1;"ph = 7.4, <a href=https://www.ebi.ac.uk/chembl/assay_report_card/CHEMBL2330999/  target=_blank>CHEMBL2330999</a>";;;;;;;;;-3.62;;;;;;;;;;;;"Hwang JY, Smithson D, Zhu F, Holbrook G, Connelly MC, Kaiser M, Brun R, Guy RK.: Optimization of chloronitrobenzamides (CNBs) as therapeutic leads for human African trypanosomiasis (HAT). J Med Chem, Volume 56 (7), 2013";ChEMBL
MM472471;MM472471;O=C(Nc1cccc(-c2nc3ccccc3s2)c1)c1cc([N+](=O)[O-])ccc1Cl;OFKSEYZGJZFTDG-UHFFFAOYSA-N;409.85;5.78;;;;;GENER;EPAM;25;+1,-1;"ph = 3, <a href=https://www.ebi.ac.uk/chembl/assay_report_card/CHEMBL2331000/  target=_blank>CHEMBL2331000</a>";;;;;;;;;-4.29;;;;;;;;;;;;"Hwang JY, Smithson D, Zhu F, Holbrook G, Connelly MC, Kaiser M, Brun R, Guy RK.: Optimization of chloronitrobenzamides (CNBs) as therapeutic leads for human African trypanosomiasis (HAT). J Med Chem, Volume 56 (7), 2013";ChEMBL
MM471867;MM471867;O=C(Nc1cccc(-c2nc3ccccc3[nH]2)c1)c1cc([N+](=O)[O-])ccc1Cl;BMYZUOVLWJQDRY-UHFFFAOYSA-N;392.8;5.04;;;;;GENER;EPAM;25;+1,-1;"ph = 7.4, <a href=https://www.ebi.ac.uk/chembl/assay_report_card/CHEMBL2330999/  target=_blank>CHEMBL2330999</a>";;;;;;;;;-3.45;;;;;;;;;;;;"Hwang JY, Smithson D, Zhu F, Holbrook G, Connelly MC, Kaiser M, Brun R, Guy RK.: Optimization of chloronitrobenzamides (CNBs) as therapeutic leads for human African trypanosomiasis (HAT). J Med Chem, Volume 56 (7), 2013";ChEMBL
MM471870;MM471870;COc1ccc(-c2nc3ccccc3o2)cc1NC(=O)c1cc([N+](=O)[O-])ccc1Cl;RSDNDYPKGGRERR-UHFFFAOYSA-N;423.81;5.32;;;;;GENER;EPAM;25;+1,-1;"ph = 7.4, <a href=https://www.ebi.ac.uk/chembl/assay_report_card/CHEMBL2330999/  target=_blank>CHEMBL2330999</a>";;;;;;;;;-3.56;;;;;;;;;;;;"Hwang JY, Smithson D, Zhu F, Holbrook G, Connelly MC, Kaiser M, Brun R, Guy RK.: Optimization of chloronitrobenzamides (CNBs) as therapeutic leads for human African trypanosomiasis (HAT). J Med Chem, Volume 56 (7), 2013";ChEMBL
MM472625;MM472625;CN(C)CC[C@H](CSc1ccccc1)Nc1ccc(S(=O)(=O)Nc2ncnc3c2CCN(C2CCN(Cc4ccccc4-c4ccc(Cl)cc4)CC2)C3)cc1S(=O)(=O)C(F)(F)F;ZLPUERMAGNHUAF-UUWRZZSWSA-N;928.57;8.44;;;;;GENER;EPAM;25;0;"<a href=https://www.ebi.ac.uk/chembl/assay_report_card/CHEMBL2328202/  target=_blank>CHEMBL2328202</a>";;;;;;;;;-4.6;;;;;;;;;;;;"Touré BB, Miller-Moslin K, Yusuff N, Perez L, Doré M, Joud C, Michael W, DiPietro L, van der Plas S, McEwan M, Lenoir F, Hoe M, Karki R, Springer C, Sullivan J, Levine K, Fiorilla C, Xie X, Kulathila R, Herlihy K, Porter D, Visser M.: The role of the acidity of N-heteroaryl sulfonamides as inhibitors of bcl-2 family protein-protein interactions. ACS Med Chem Lett, Volume 4 (2), 2013";ChEMBL
MM471524;MM471524;CCc1c(C)[nH]c2cc(OC)c(Cl)cc2c1=O;;251.71;3.06;49781245;;;CHEMBL1255729;GENER;EPAM;25;0;"ph = 4, <a href=https://www.ebi.ac.uk/chembl/assay_report_card/CHEMBL1261031/  target=_blank>CHEMBL1261031</a>";;;;;;;;;-4.02;;;;;;;;;;;;"Cross RM, Monastyrskyi A, Mutka TS, Burrows JN, Kyle DE, Manetsch R.: Endochin optimization: structure-activity and structure-property relationship studies of 3-substituted 2-methyl-4(1H)-quinolones with antimalarial activity. J Med Chem, Volume 53 (19), 2010";ChEMBL
MM472624;MM472624;CC(c1ccccc1-c1ccc(Cl)cc1)N1CCC(N2CCc3c(ncnc3NS(=O)(=O)c3ccc(N[C@H](CCN(C)C)CSc4ccccc4)c(S(=O)(=O)C(F)(F)F)c3)C2)CC1;SFKFJKZVOGQGAY-MGCITJBXSA-N;942.6;9;;;;;GENER;EPAM;25;0;"<a href=https://www.ebi.ac.uk/chembl/assay_report_card/CHEMBL2328202/  target=_blank>CHEMBL2328202</a>";;;;;;;;;-4.8;;;;;;;;;;;;"Touré BB, Miller-Moslin K, Yusuff N, Perez L, Doré M, Joud C, Michael W, DiPietro L, van der Plas S, McEwan M, Lenoir F, Hoe M, Karki R, Springer C, Sullivan J, Levine K, Fiorilla C, Xie X, Kulathila R, Herlihy K, Porter D, Visser M.: The role of the acidity of N-heteroaryl sulfonamides as inhibitors of bcl-2 family protein-protein interactions. ACS Med Chem Lett, Volume 4 (2), 2013";ChEMBL
MM471524;MM471524;CCc1c(C)[nH]c2cc(OC)c(Cl)cc2c1=O;;251.71;3.06;49781245;;;CHEMBL1255729;GENER;EPAM;25;0;"ph = 7.4, <a href=https://www.ebi.ac.uk/chembl/assay_report_card/CHEMBL1261030/  target=_blank>CHEMBL1261030</a>";;;;;;;;;-4.24;;;;;;;;;;;;"Cross RM, Monastyrskyi A, Mutka TS, Burrows JN, Kyle DE, Manetsch R.: Endochin optimization: structure-activity and structure-property relationship studies of 3-substituted 2-methyl-4(1H)-quinolones with antimalarial activity. J Med Chem, Volume 53 (19), 2010";ChEMBL
MM472021;MM472021;O=c1cc(-c2ccccc2)c2ccccc2n1CC1CN2CCC1(F)CC2;WAKWRGXSRGAPEP-UHFFFAOYSA-N;362.45;4.1;71567118;;;CHEMBL2332467;GENER;EPAM;25;0;"ph = 7.4, <a href=https://www.ebi.ac.uk/chembl/assay_report_card/CHEMBL2340857/  target=_blank>CHEMBL2340857</a>";;;;;;;;;-4.42;;;;;;;;;;;;"McDonald IM, Mate RA, Zusi FC, Huang H, Post-Munson DJ, Ferrante MA, Gallagher L, Bertekap RL, Knox RJ, Robertson BJ, Harden DG, Morgan DG, Lodge NJ, Dworetzky SI, Olson RE, Macor JE.: Discovery of a novel series of quinolone α7 nicotinic acetylcholine receptor agonists. Bioorg Med Chem Lett, Volume 23 (6), 2013";ChEMBL
MM471525;MM471525;CCc1c(C)[nH]c2cc(OC)c(Br)cc2c1=O;;296.16;3.17;49781246;;;CHEMBL1255730;GENER;EPAM;25;0;"ph = 4, <a href=https://www.ebi.ac.uk/chembl/assay_report_card/CHEMBL1261031/  target=_blank>CHEMBL1261031</a>";;;;;;;;;-4.09;;;;;;;;;;;;"Cross RM, Monastyrskyi A, Mutka TS, Burrows JN, Kyle DE, Manetsch R.: Endochin optimization: structure-activity and structure-property relationship studies of 3-substituted 2-methyl-4(1H)-quinolones with antimalarial activity. J Med Chem, Volume 53 (19), 2010";ChEMBL
MM472022;MM472022;CC(=O)NCc1cccc(-c2cc(=O)n(CC3CN4CCC3CC4)c3ccccc23)c1;UJGOADHVWOJKPW-UHFFFAOYSA-N;415.54;3.65;71566983;;;CHEMBL2332468;GENER;EPAM;25;0;"ph = 7.4, <a href=https://www.ebi.ac.uk/chembl/assay_report_card/CHEMBL2340857/  target=_blank>CHEMBL2340857</a>";;;;;;;;;-7;;;;;;;;;;;;"McDonald IM, Mate RA, Zusi FC, Huang H, Post-Munson DJ, Ferrante MA, Gallagher L, Bertekap RL, Knox RJ, Robertson BJ, Harden DG, Morgan DG, Lodge NJ, Dworetzky SI, Olson RE, Macor JE.: Discovery of a novel series of quinolone α7 nicotinic acetylcholine receptor agonists. Bioorg Med Chem Lett, Volume 23 (6), 2013";ChEMBL
MM471525;MM471525;CCc1c(C)[nH]c2cc(OC)c(Br)cc2c1=O;;296.16;3.17;49781246;;;CHEMBL1255730;GENER;EPAM;25;0;"ph = 7.4, <a href=https://www.ebi.ac.uk/chembl/assay_report_card/CHEMBL1261030/  target=_blank>CHEMBL1261030</a>";;;;;;;;;-4.12;;;;;;;;;;;;"Cross RM, Monastyrskyi A, Mutka TS, Burrows JN, Kyle DE, Manetsch R.: Endochin optimization: structure-activity and structure-property relationship studies of 3-substituted 2-methyl-4(1H)-quinolones with antimalarial activity. J Med Chem, Volume 53 (19), 2010";ChEMBL
MM472020;MM472020;O=c1cc(-c2cccc3[nH]ccc23)c2ccccc2n1CC1CN2CCC1CC2;IOTQYEJCFAERLM-UHFFFAOYSA-N;383.5;4.49;71566981;;;CHEMBL2332470;GENER;EPAM;25;0;"ph = 7.4, <a href=https://www.ebi.ac.uk/chembl/assay_report_card/CHEMBL2340857/  target=_blank>CHEMBL2340857</a>";;;;;;;;;-4.4;;;;;;;;;;;;"McDonald IM, Mate RA, Zusi FC, Huang H, Post-Munson DJ, Ferrante MA, Gallagher L, Bertekap RL, Knox RJ, Robertson BJ, Harden DG, Morgan DG, Lodge NJ, Dworetzky SI, Olson RE, Macor JE.: Discovery of a novel series of quinolone α7 nicotinic acetylcholine receptor agonists. Bioorg Med Chem Lett, Volume 23 (6), 2013";ChEMBL
MM471528;MM471528;COc1cc2[nH]c(C)cc(=O)c2cc1Cl;;223.66;2.5;49781464;;;CHEMBL1255776;GENER;EPAM;25;0;"ph = 4, <a href=https://www.ebi.ac.uk/chembl/assay_report_card/CHEMBL1261031/  target=_blank>CHEMBL1261031</a>";;;;;;;;;-4.92;;;;;;;;;;;;"Cross RM, Monastyrskyi A, Mutka TS, Burrows JN, Kyle DE, Manetsch R.: Endochin optimization: structure-activity and structure-property relationship studies of 3-substituted 2-methyl-4(1H)-quinolones with antimalarial activity. J Med Chem, Volume 53 (19), 2010";ChEMBL
MM472017;MM472017;O=c1cc(-c2ccccc2)c2ccccc2n1CC1CN2CCC1CC2;GIVLVDCIMORORF-UHFFFAOYSA-N;344.46;4.01;71566844;;;CHEMBL2332476;GENER;EPAM;25;0;"ph = 7.4, <a href=https://www.ebi.ac.uk/chembl/assay_report_card/CHEMBL2340857/  target=_blank>CHEMBL2340857</a>";;;;;;;;;-4.05;;;;;;;;;;;;"McDonald IM, Mate RA, Zusi FC, Huang H, Post-Munson DJ, Ferrante MA, Gallagher L, Bertekap RL, Knox RJ, Robertson BJ, Harden DG, Morgan DG, Lodge NJ, Dworetzky SI, Olson RE, Macor JE.: Discovery of a novel series of quinolone α7 nicotinic acetylcholine receptor agonists. Bioorg Med Chem Lett, Volume 23 (6), 2013";ChEMBL
MM471528;MM471528;COc1cc2[nH]c(C)cc(=O)c2cc1Cl;;223.66;2.5;49781464;;;CHEMBL1255776;GENER;EPAM;25;0;"ph = 7.4, <a href=https://www.ebi.ac.uk/chembl/assay_report_card/CHEMBL1261030/  target=_blank>CHEMBL1261030</a>";;;;;;;;;-4.6;;;;;;;;;;;;"Cross RM, Monastyrskyi A, Mutka TS, Burrows JN, Kyle DE, Manetsch R.: Endochin optimization: structure-activity and structure-property relationship studies of 3-substituted 2-methyl-4(1H)-quinolones with antimalarial activity. J Med Chem, Volume 53 (19), 2010";ChEMBL
MM472018;MM472018;O=c1cc(-c2ccccc2)c2ccccc2n1CC1CNCCO1;NCANIKGDAMBPHY-UHFFFAOYSA-N;320.39;2.66;71566843;;;CHEMBL2332477;GENER;EPAM;25;0;"ph = 7.4, <a href=https://www.ebi.ac.uk/chembl/assay_report_card/CHEMBL2340857/  target=_blank>CHEMBL2340857</a>";;;;;;;;;-4.26;;;;;;;;;;;;"McDonald IM, Mate RA, Zusi FC, Huang H, Post-Munson DJ, Ferrante MA, Gallagher L, Bertekap RL, Knox RJ, Robertson BJ, Harden DG, Morgan DG, Lodge NJ, Dworetzky SI, Olson RE, Macor JE.: Discovery of a novel series of quinolone α7 nicotinic acetylcholine receptor agonists. Bioorg Med Chem Lett, Volume 23 (6), 2013";ChEMBL
MM473959;MM473959;COc1cc(N2Cc3ccc(Sc4ccc(F)cc4)nc3C2=O)ccc1OCCN1CCCC1;IOVNPTLMMFSPCO-UHFFFAOYSA-N;479.58;5.02;60169096;;;CHEMBL2337725;GENER;EPAM;25;0;"<a href=https://www.ebi.ac.uk/chembl/assay_report_card/CHEMBL2342862/  target=_blank>CHEMBL2342862</a>";;;;;;;;;-5.72;;;;;;;;;;;;"Lim CJ, Kim JY, Lee BH, Oh KS, Yi KY.: Synthesis and SAR study of pyrrolo[3,4-b]pyridin-7(6H)-one derivatives as melanin concentrating hormone receptor 1 (MCH-R1) antagonists. Bioorg Med Chem Lett, Volume 23 (6), 2013";ChEMBL
MM471727;MM471727;Cc1nc(C(=O)NCC(=O)O)c(O)c2ccc(Oc3ccccc3)cc12;YOZBGTLTNGAVFU-UHFFFAOYSA-N;352.35;2.86;11256664;;;CHEMBL2338329;GENER;EPAM;25;0;"ph = 7.4, <a href=https://www.ebi.ac.uk/chembl/assay_report_card/CHEMBL4124467/  target=_blank>CHEMBL4124467</a>";;;;;;;;;-4.9;;;;;;;;;;;;"Wu Y, Jiang Z, Li Z, Gu J, You Q, Zhang X.: Click Chemistry-Based Discovery of [3-Hydroxy-5-(1 H-1,2,3-triazol-4-yl)picolinoyl]glycines as Orally Active Hypoxia-Inducing Factor Prolyl Hydroxylase Inhibitors with Favorable Safety Profiles for the Treatment of Anemia. J Med Chem, Volume 61 (12), 2018";ChEMBL
MM472397;MM472397;O=c1[nH]cc(Cl)cc1O;AJGLCXBDYCEVIE-UHFFFAOYSA-N;145.55;0.73;97629;;;CHEMBL2338783;GENER;EPAM;25;0;"ph = 6.5, <a href=https://www.ebi.ac.uk/chembl/assay_report_card/CHEMBL2343134/  target=_blank>CHEMBL2343134</a>";;;;;;;;;-5.19;;;;;;;;;;;;"Hondo T, Warizaya M, Niimi T, Namatame I, Yamaguchi T, Nakanishi K, Hamajima T, Harada K, Sakashita H, Matsumoto Y, Orita M, Takeuchi M.: 4-Hydroxypyridazin-3(2H)-one derivatives as novel D-amino acid oxidase inhibitors. J Med Chem, Volume 56 (9), 2013";ChEMBL
MM472885;MM472885;CCCCC1CN2CCc3cc(OC)c(OC)cc3C2CC1N;IYTDSNSLAQHLJL-XIRDDKMYSA-N;318.46;3.14;44431744;;;CHEMBL234412;GENER;EPAM;25;0;"<a href=https://www.ebi.ac.uk/chembl/assay_report_card/CHEMBL893073/  target=_blank>CHEMBL893073</a>";;;;;;;;;-5.6;;;;;;;;;;;;"Lübbers T, Böhringer M, Gobbi L, Hennig M, Hunziker D, Kuhn B, Löffler B, Mattei P, Narquizian R, Peters JU, Ruff Y, Wessel HP, Wyss P.: 1,3-disubstituted 4-aminopiperidines as useful tools in the optimization of the 2-aminobenzo[a]quinolizine dipeptidyl peptidase IV inhibitors. Bioorg Med Chem Lett, Volume 17 (11), 2007";ChEMBL
MM472628;MM472628;CCNC(=O)Nc1nc2ccc(-c3ccccc3OC)cc2s1;LGPZTQXZPZVKSU-UHFFFAOYSA-N;327.41;4.11;71655597;;;CHEMBL2347710;GENER;EPAM;25;0;"<a href=https://www.ebi.ac.uk/chembl/assay_report_card/CHEMBL2351844/  target=_blank>CHEMBL2351844</a>";;;;;;;;;-4.11;;;;;;;;;;;;"Hong S, Kim J, Yun SM, Lee H, Park Y, Hong SS, Hong S.: Discovery of new benzothiazole-based inhibitors of breakpoint cluster region-Abelson kinase including the T315I mutant. J Med Chem, Volume 56 (9), 2013";ChEMBL
MM472627;MM472627;COc1ccccc1-c1ccc2nc(NC(=O)NCCO)sc2c1;LAAHHHDILCOULN-UHFFFAOYSA-N;343.41;3.09;71655728;;;CHEMBL2347723;GENER;EPAM;25;0;"<a href=https://www.ebi.ac.uk/chembl/assay_report_card/CHEMBL2351844/  target=_blank>CHEMBL2351844</a>";;;;;;;;;-4.29;;;;;;;;;;;;"Hong S, Kim J, Yun SM, Lee H, Park Y, Hong SS, Hong S.: Discovery of new benzothiazole-based inhibitors of breakpoint cluster region-Abelson kinase including the T315I mutant. J Med Chem, Volume 56 (9), 2013";ChEMBL
MM472626;MM472626;COc1ccccc1-c1ccc2nc(NC(=O)NCCN3CCN(C)CC3)sc2c1;AIZRLMRCMYABCS-UHFFFAOYSA-N;425.56;3.34;71655730;;;CHEMBL2347725;GENER;EPAM;25;0;"<a href=https://www.ebi.ac.uk/chembl/assay_report_card/CHEMBL2351844/  target=_blank>CHEMBL2351844</a>";;;;;;;;;-4.93;;;;;;;;;;;;"Hong S, Kim J, Yun SM, Lee H, Park Y, Hong SS, Hong S.: Discovery of new benzothiazole-based inhibitors of breakpoint cluster region-Abelson kinase including the T315I mutant. J Med Chem, Volume 56 (9), 2013";ChEMBL
MM471532;MM471532;Cc1cc(=O)c2ccccc2[nH]1;;159.19;1.84;69089;;;CHEMBL1256109;GENER;EPAM;25;0;"ph = 4, <a href=https://www.ebi.ac.uk/chembl/assay_report_card/CHEMBL1261031/  target=_blank>CHEMBL1261031</a>";;;;;;;;;-5.81;;;;;;;;;;;;"Cross RM, Monastyrskyi A, Mutka TS, Burrows JN, Kyle DE, Manetsch R.: Endochin optimization: structure-activity and structure-property relationship studies of 3-substituted 2-methyl-4(1H)-quinolones with antimalarial activity. J Med Chem, Volume 53 (19), 2010";ChEMBL
MM473818;MM473818;O=C(O)CCc1sc(C=C2NC(=O)CS2)nc1-c1ccccn1;FXCKSJPZDBQRLO-KPKJPENVSA-N;347.42;2.38;136219141;;;CHEMBL2348091;GENER;EPAM;25;0;"<a href=https://www.ebi.ac.uk/chembl/assay_report_card/CHEMBL3106895/  target=_blank>CHEMBL3106895</a>";;;;;;;;;-6.29;;;;;;;;;;;;"Sogame S, Suenaga Y, Atobe M, Kawanishi M, Tanaka E, Miyoshi S.: Discovery of a benzimidazole series of ADAMTS-5 (aggrecanase-2) inhibitors by scaffold hopping. Eur J Med Chem, Volume 71, 2014";ChEMBL
MM471532;MM471532;Cc1cc(=O)c2ccccc2[nH]1;;159.19;1.84;69089;;;CHEMBL1256109;GENER;EPAM;25;0;"ph = 7.4, <a href=https://www.ebi.ac.uk/chembl/assay_report_card/CHEMBL1261030/  target=_blank>CHEMBL1261030</a>";;;;;;;;;-5.81;;;;;;;;;;;;"Cross RM, Monastyrskyi A, Mutka TS, Burrows JN, Kyle DE, Manetsch R.: Endochin optimization: structure-activity and structure-property relationship studies of 3-substituted 2-methyl-4(1H)-quinolones with antimalarial activity. J Med Chem, Volume 53 (19), 2010";ChEMBL
MM471462;MM471462;CCCCCCc1ccc(C(=O)CCN(C)CCc2ccccc2)cc1;FGWKZYSXJPDHSP-UHFFFAOYSA-N;351.53;5.56;23635238;;;CHEMBL235252;GENER;EPAM;25;0;"ph = 7.4, <a href=https://www.ebi.ac.uk/chembl/assay_report_card/CHEMBL900775/  target=_blank>CHEMBL900775</a>";;;;;;;;;-4.24;;;;;;;;;;;;"Arnold LA, Kosinski A, Estébanez-Perpiñá E, Fletterick RJ, Guy RK.: Inhibitors of the interaction of a thyroid hormone receptor and coactivators: preliminary structure-activity relationships. J Med Chem, Volume 50 (22), 2007";ChEMBL
MM471533;MM471533;Cc1[nH]c2ccccc2c(=O)c1C1CCCCC1;;241.33;3.88;49780578;;;CHEMBL1256166;GENER;EPAM;25;0;"ph = 4, <a href=https://www.ebi.ac.uk/chembl/assay_report_card/CHEMBL1261031/  target=_blank>CHEMBL1261031</a>";;;;;;;;;-3.58;;;;;;;;;;;;"Cross RM, Monastyrskyi A, Mutka TS, Burrows JN, Kyle DE, Manetsch R.: Endochin optimization: structure-activity and structure-property relationship studies of 3-substituted 2-methyl-4(1H)-quinolones with antimalarial activity. J Med Chem, Volume 53 (19), 2010";ChEMBL
MM471477;MM471477;C=C(CC(=O)Nc1ccc(CCCCCC)cc1)C(=O)O;KDVFCGVJCOQNTK-UHFFFAOYSA-N;289.38;3.78;23635853;;;CHEMBL235489;GENER;EPAM;25;0;"ph = 7.4, <a href=https://www.ebi.ac.uk/chembl/assay_report_card/CHEMBL900775/  target=_blank>CHEMBL900775</a>";;;;;;;;;-4.24;;;;;;;;;;;;"Arnold LA, Kosinski A, Estébanez-Perpiñá E, Fletterick RJ, Guy RK.: Inhibitors of the interaction of a thyroid hormone receptor and coactivators: preliminary structure-activity relationships. J Med Chem, Volume 50 (22), 2007";ChEMBL
MM471533;MM471533;Cc1[nH]c2ccccc2c(=O)c1C1CCCCC1;;241.33;3.88;49780578;;;CHEMBL1256166;GENER;EPAM;25;0;"ph = 7.4, <a href=https://www.ebi.ac.uk/chembl/assay_report_card/CHEMBL1261030/  target=_blank>CHEMBL1261030</a>";;;;;;;;;-3.64;;;;;;;;;;;;"Cross RM, Monastyrskyi A, Mutka TS, Burrows JN, Kyle DE, Manetsch R.: Endochin optimization: structure-activity and structure-property relationship studies of 3-substituted 2-methyl-4(1H)-quinolones with antimalarial activity. J Med Chem, Volume 53 (19), 2010";ChEMBL
MM471801;MM471801;CSc1nc(NCCc2cccc(F)c2)c2cnn(CC(Cl)c3ccccc3)c2n1;MFMNTKJASBOAKJ-UHFFFAOYSA-N;441.96;5.32;;;;;GENER;EPAM;25;0;"ph = 7.4, <a href=https://www.ebi.ac.uk/chembl/assay_report_card/CHEMBL1056608/  target=_blank>CHEMBL1056608</a>";;;;;;;;;-6.06;;;;;;;;;;;;"Dreassi E, Zizzari AT, Falchi F, Schenone S, Santucci A, Maga G, Botta M.: Determination of permeability and lipophilicity of pyrazolo-pyrimidine tyrosine kinase inhibitors and correlation with biological data. Eur J Med Chem, Volume 44 (9), 2009";ChEMBL
MM471471;MM471471;CCCCCCc1ccc(C(=O)CCN(C)CCO)cc1;GWWLXQSKLVUJGE-UHFFFAOYSA-N;291.44;3.31;23635239;;;CHEMBL235922;GENER;EPAM;25;0;"ph = 7.4, <a href=https://www.ebi.ac.uk/chembl/assay_report_card/CHEMBL900775/  target=_blank>CHEMBL900775</a>";;;;;;;;;-3.02;;;;;;;;;;;;"Arnold LA, Kosinski A, Estébanez-Perpiñá E, Fletterick RJ, Guy RK.: Inhibitors of the interaction of a thyroid hormone receptor and coactivators: preliminary structure-activity relationships. J Med Chem, Volume 50 (22), 2007";ChEMBL
MM471534;MM471534;Cc1[nH]c2ccccc2c(=O)c1-c1ccccc1;;235.29;3.5;219141;;;CHEMBL1256167;GENER;EPAM;25;0;"ph = 4, <a href=https://www.ebi.ac.uk/chembl/assay_report_card/CHEMBL1261031/  target=_blank>CHEMBL1261031</a>";;;;;;;;;-4.78;;;;;;;;;;;;"Cross RM, Monastyrskyi A, Mutka TS, Burrows JN, Kyle DE, Manetsch R.: Endochin optimization: structure-activity and structure-property relationship studies of 3-substituted 2-methyl-4(1H)-quinolones with antimalarial activity. J Med Chem, Volume 53 (19), 2010";ChEMBL
MM471534;MM471534;Cc1[nH]c2ccccc2c(=O)c1-c1ccccc1;;235.29;3.5;219141;;;CHEMBL1256167;GENER;EPAM;25;0;"ph = 7.4, <a href=https://www.ebi.ac.uk/chembl/assay_report_card/CHEMBL1261030/  target=_blank>CHEMBL1261030</a>";;;;;;;;;-4.48;;;;;;;;;;;;"Cross RM, Monastyrskyi A, Mutka TS, Burrows JN, Kyle DE, Manetsch R.: Endochin optimization: structure-activity and structure-property relationship studies of 3-substituted 2-methyl-4(1H)-quinolones with antimalarial activity. J Med Chem, Volume 53 (19), 2010";ChEMBL
MM471466;MM471466;CCCCCCc1ccc(C(=O)CCN(C)C)cc1;KDBREDBLOZXWHK-UHFFFAOYSA-N;261.41;3.94;3092218;;;CHEMBL236033;GENER;EPAM;25;0;"ph = 7.4, <a href=https://www.ebi.ac.uk/chembl/assay_report_card/CHEMBL900775/  target=_blank>CHEMBL900775</a>";;;;;;;;;-2.63;;;;;;;;;;;;"Arnold LA, Kosinski A, Estébanez-Perpiñá E, Fletterick RJ, Guy RK.: Inhibitors of the interaction of a thyroid hormone receptor and coactivators: preliminary structure-activity relationships. J Med Chem, Volume 50 (22), 2007";ChEMBL
MM471535;MM471535;Cc1[nH]c2ccccc2c(=O)c1Cc1ccccc1;;249.31;3.43;14661520;;;CHEMBL1256168;GENER;EPAM;25;0;"ph = 4, <a href=https://www.ebi.ac.uk/chembl/assay_report_card/CHEMBL1261031/  target=_blank>CHEMBL1261031</a>";;;;;;;;;-3.96;;;;;;;;;;;;"Cross RM, Monastyrskyi A, Mutka TS, Burrows JN, Kyle DE, Manetsch R.: Endochin optimization: structure-activity and structure-property relationship studies of 3-substituted 2-methyl-4(1H)-quinolones with antimalarial activity. J Med Chem, Volume 53 (19), 2010";ChEMBL
MM471470;MM471470;CCCCCCc1ccc(C(=O)CCN(C(C)C)C(C)C)cc1;ZKWDUQIOLWFBHX-UHFFFAOYSA-N;317.52;5.5;23635240;;;CHEMBL236131;GENER;EPAM;25;0;"ph = 7.4, <a href=https://www.ebi.ac.uk/chembl/assay_report_card/CHEMBL900775/  target=_blank>CHEMBL900775</a>";;;;;;;;;-3.13;;;;;;;;;;;;"Arnold LA, Kosinski A, Estébanez-Perpiñá E, Fletterick RJ, Guy RK.: Inhibitors of the interaction of a thyroid hormone receptor and coactivators: preliminary structure-activity relationships. J Med Chem, Volume 50 (22), 2007";ChEMBL
MM471535;MM471535;Cc1[nH]c2ccccc2c(=O)c1Cc1ccccc1;;249.31;3.43;14661520;;;CHEMBL1256168;GENER;EPAM;25;0;"ph = 7.4, <a href=https://www.ebi.ac.uk/chembl/assay_report_card/CHEMBL1261030/  target=_blank>CHEMBL1261030</a>";;;;;;;;;-3.99;;;;;;;;;;;;"Cross RM, Monastyrskyi A, Mutka TS, Burrows JN, Kyle DE, Manetsch R.: Endochin optimization: structure-activity and structure-property relationship studies of 3-substituted 2-methyl-4(1H)-quinolones with antimalarial activity. J Med Chem, Volume 53 (19), 2010";ChEMBL
MM471469;MM471469;CCCCCCc1ccc(C(=O)CCN2CCOCC2)cc1;DRNLQHKMQJOYPM-UHFFFAOYSA-N;303.45;3.71;23635362;;;CHEMBL236132;GENER;EPAM;25;0;"ph = 7.4, <a href=https://www.ebi.ac.uk/chembl/assay_report_card/CHEMBL900775/  target=_blank>CHEMBL900775</a>";;;;;;;;;-2.92;;;;;;;;;;;;"Arnold LA, Kosinski A, Estébanez-Perpiñá E, Fletterick RJ, Guy RK.: Inhibitors of the interaction of a thyroid hormone receptor and coactivators: preliminary structure-activity relationships. J Med Chem, Volume 50 (22), 2007";ChEMBL
MM471468;MM471468;CCCCCCc1ccc(C(=O)CCN2CCC(C(=O)OC)CC2)cc1;QESMLDAGHLHSQF-UHFFFAOYSA-N;359.51;4.27;23635363;;;CHEMBL236133;GENER;EPAM;25;0;"ph = 7.4, <a href=https://www.ebi.ac.uk/chembl/assay_report_card/CHEMBL900775/  target=_blank>CHEMBL900775</a>";;;;;;;;;-3.84;;;;;;;;;;;;"Arnold LA, Kosinski A, Estébanez-Perpiñá E, Fletterick RJ, Guy RK.: Inhibitors of the interaction of a thyroid hormone receptor and coactivators: preliminary structure-activity relationships. J Med Chem, Volume 50 (22), 2007";ChEMBL
MM471465;MM471465;CCCCCCc1ccc(C(=O)CCN(C)Cc2ccco2)cc1;LSYGPUMMLSCEHD-UHFFFAOYSA-N;327.47;5.11;23635365;;;CHEMBL236134;GENER;EPAM;25;0;"ph = 7.4, <a href=https://www.ebi.ac.uk/chembl/assay_report_card/CHEMBL900775/  target=_blank>CHEMBL900775</a>";;;;;;;;;-3.17;;;;;;;;;;;;"Arnold LA, Kosinski A, Estébanez-Perpiñá E, Fletterick RJ, Guy RK.: Inhibitors of the interaction of a thyroid hormone receptor and coactivators: preliminary structure-activity relationships. J Med Chem, Volume 50 (22), 2007";ChEMBL
MM471797;MM471797;CSc1nc(NCc2ccccc2Cl)c2cnn(CC(Cl)c3ccccc3)c2n1;XNWHPCMDUYIUSL-UHFFFAOYSA-N;444.39;5.79;;;;;GENER;EPAM;25;0;"ph = 7.4, <a href=https://www.ebi.ac.uk/chembl/assay_report_card/CHEMBL1056608/  target=_blank>CHEMBL1056608</a>";;;;;;;;;-5.84;;;;;;;;;;;;"Dreassi E, Zizzari AT, Falchi F, Schenone S, Santucci A, Maga G, Botta M.: Determination of permeability and lipophilicity of pyrazolo-pyrimidine tyrosine kinase inhibitors and correlation with biological data. Eur J Med Chem, Volume 44 (9), 2009";ChEMBL
MM472878;MM472878;O=C(O)CC1CCC(c2ccc(-c3ccc(Nc4ccc(C(F)(F)F)nc4)cn3)cc2)CC1;GXALXAKNHIROPE-QAQDUYKDSA-N;455.48;6.65;53387035;;;CHEMBL2364624;GENER;EPAM;25;0;"<a href=https://www.ebi.ac.uk/chembl/assay_report_card/CHEMBL4307359/  target=_blank>CHEMBL4307359</a>";;;;;;;;;-5;;;;;;;;;;;;"Harrison TJ, Bauer D, Berdichevsky A, Chen X, Duvadie R, Hoogheem B, Hatsis P, Liu Q, Mao J, Miduturu V, Rocheford E, Zecri F, Zessis R, Zheng R, Zhu Q, Streeper R, Patel SJ.: Successful Strategies for Mitigation of a Preclinical Signal for Phototoxicity in a DGAT1 Inhibitor. ACS Med Chem Lett, Volume 10 (8), 2019";ChEMBL
MM472887;MM472887;CCOc1cc(CN2CCC(Nc3nc4ccccc4o3)CC2)ccc1OC;;381.48;4.31;11848624;;;CHEMBL236587;GENER;EPAM;25;0;"<a href=https://www.ebi.ac.uk/chembl/assay_report_card/CHEMBL1113042/  target=_blank>CHEMBL1113042</a>";;;;;;;;;-5.35;;;;;;;;;;;;"Martin RE, Mohr P, Maerki HP, Guba W, Kuratli C, Gavelle O, Binggeli A, Bendels S, Alvarez-Sánchez R, Alker A, Polonchuk L, Christ AD.: Benzoxazole piperidines as selective and potent somatostatin receptor subtype 5 antagonists. Bioorg Med Chem Lett, Volume 19 (21), 2009";ChEMBL
MM472887;MM472887;CCOc1cc(CN2CCC(Nc3nc4ccccc4o3)CC2)ccc1OC;;381.48;4.31;11848624;;;CHEMBL236587;GENER;EPAM;25;0;"<a href=https://www.ebi.ac.uk/chembl/assay_report_card/CHEMBL902572/  target=_blank>CHEMBL902572</a>";;;;;;;;;-5.35;;;;;;;;;;;;"Martin RE, Green LG, Guba W, Kratochwil N, Christ A.: Discovery of the first nonpeptidic, small-molecule, highly selective somatostatin receptor subtype 5 antagonists: a chemogenomics approach. J Med Chem, Volume 50 (25), 2007";ChEMBL
MM473046;MM473046;CCOc1cc(CN2CCC(Nc3nc4ccccc4o3)CC2)ccc1Cl;JVCJWEYSNNCGKX-UHFFFAOYSA-N;385.9;4.96;24740863;;;CHEMBL236610;GENER;EPAM;25;0;"<a href=https://www.ebi.ac.uk/chembl/assay_report_card/CHEMBL1113042/  target=_blank>CHEMBL1113042</a>";;;;;;;;;-6.31;;;;;;;;;;;;"Martin RE, Mohr P, Maerki HP, Guba W, Kuratli C, Gavelle O, Binggeli A, Bendels S, Alvarez-Sánchez R, Alker A, Polonchuk L, Christ AD.: Benzoxazole piperidines as selective and potent somatostatin receptor subtype 5 antagonists. Bioorg Med Chem Lett, Volume 19 (21), 2009";ChEMBL
MM472011;MM472011;OCc1cc(OCC(O)CNC2CCN(c3ncnc4scc(-c5ccccc5)c34)CC2)ccc1O;;506.63;3.55;24936626;;;CHEMBL1257555;GENER;EPAM;25;0;"ph = 5, <a href=https://www.ebi.ac.uk/chembl/assay_report_card/CHEMBL1261332/  target=_blank>CHEMBL1261332</a>";;;;;;;;;-6;;;;;;;;;;;;"Tasler S, Baumgartner R, Ammendola A, Schachtner J, Wieber T, Blisse M, Rath S, Zaja M, Klahn P, Quotschalla U, Ney P.: Thienopyrimidines as β3-adrenoceptor agonists: hit-to-lead optimization. Bioorg Med Chem Lett, Volume 20 (20), 2010";ChEMBL
MM471475;MM471475;C=CC(=O)c1ccc(CCCCCC)cc1;IINHTEWASPUCMH-UHFFFAOYSA-N;216.32;4.18;14899645;;;CHEMBL237600;GENER;EPAM;25;0;"ph = 7.4, <a href=https://www.ebi.ac.uk/chembl/assay_report_card/CHEMBL900775/  target=_blank>CHEMBL900775</a>";;;;;;;;;-4.42;;;;;;;;;;;;"Arnold LA, Kosinski A, Estébanez-Perpiñá E, Fletterick RJ, Guy RK.: Inhibitors of the interaction of a thyroid hormone receptor and coactivators: preliminary structure-activity relationships. J Med Chem, Volume 50 (22), 2007";ChEMBL
MM472011;MM472011;OCc1cc(OCC(O)CNC2CCN(c3ncnc4scc(-c5ccccc5)c34)CC2)ccc1O;;506.63;3.55;24936626;;;CHEMBL1257555;GENER;EPAM;25;0;"ph = 7.4, <a href=https://www.ebi.ac.uk/chembl/assay_report_card/CHEMBL1261333/  target=_blank>CHEMBL1261333</a>";;;;;;;;;-6;;;;;;;;;;;;"Tasler S, Baumgartner R, Ammendola A, Schachtner J, Wieber T, Blisse M, Rath S, Zaja M, Klahn P, Quotschalla U, Ney P.: Thienopyrimidines as β3-adrenoceptor agonists: hit-to-lead optimization. Bioorg Med Chem Lett, Volume 20 (20), 2010";ChEMBL
MM471474;MM471474;CCCCCCc1ccc(C(=O)C=CC(=O)O)cc1;HKEVTQICMJNUNY-QXMHVHEDSA-N;260.33;3.63;15219550;;;CHEMBL237601;GENER;EPAM;25;0;"ph = 7.4, <a href=https://www.ebi.ac.uk/chembl/assay_report_card/CHEMBL900775/  target=_blank>CHEMBL900775</a>";;;;;;;;;-4.18;;;;;;;;;;;;"Arnold LA, Kosinski A, Estébanez-Perpiñá E, Fletterick RJ, Guy RK.: Inhibitors of the interaction of a thyroid hormone receptor and coactivators: preliminary structure-activity relationships. J Med Chem, Volume 50 (22), 2007";ChEMBL
MM471472;MM471472;C=C(C)C(=O)c1ccc(CCCCCCC)cc1;LFTHMBBMKKTEDY-UHFFFAOYSA-N;244.38;4.96;23635477;;;CHEMBL237605;GENER;EPAM;25;0;"ph = 7.4, <a href=https://www.ebi.ac.uk/chembl/assay_report_card/CHEMBL900775/  target=_blank>CHEMBL900775</a>";;;;;;;;;-4.37;;;;;;;;;;;;"Arnold LA, Kosinski A, Estébanez-Perpiñá E, Fletterick RJ, Guy RK.: Inhibitors of the interaction of a thyroid hormone receptor and coactivators: preliminary structure-activity relationships. J Med Chem, Volume 50 (22), 2007";ChEMBL
MM474432;MM474432;CC(C)CCNc1ccc(-c2cnc3ccc(NC4CCN(C)CC4)nn23)cn1;KIVBSGFPJMMGJQ-UHFFFAOYSA-N;393.54;3.76;53357953;;;CHEMBL2380687;GENER;EPAM;25;0;"<a href=https://www.ebi.ac.uk/chembl/assay_report_card/CHEMBL2384453/  target=_blank>CHEMBL2384453</a>";;;;;;;;;-5.09;;;;;;;;;;;;"Chapman TM, Osborne SA, Bouloc N, Large JM, Wallace C, Birchall K, Ansell KH, Jones HM, Taylor D, Clough B, Green JL, Holder AA.: Substituted imidazopyridazines are potent and selective inhibitors of Plasmodium falciparum calcium-dependent protein kinase 1 (PfCDPK1). Bioorg Med Chem Lett, Volume 23 (10), 2013";ChEMBL
MM474431;MM474431;CC(C)CCNc1ccc(-c2cnc3ccc(NC4CCN(C)C4)nn23)cn1;RUDLWCBRULBWIA-UHFFFAOYSA-N;379.51;3.37;53358184;;;CHEMBL2380692;GENER;EPAM;25;0;"<a href=https://www.ebi.ac.uk/chembl/assay_report_card/CHEMBL2384453/  target=_blank>CHEMBL2384453</a>";;;;;;;;;-4.94;;;;;;;;;;;;"Chapman TM, Osborne SA, Bouloc N, Large JM, Wallace C, Birchall K, Ansell KH, Jones HM, Taylor D, Clough B, Green JL, Holder AA.: Substituted imidazopyridazines are potent and selective inhibitors of Plasmodium falciparum calcium-dependent protein kinase 1 (PfCDPK1). Bioorg Med Chem Lett, Volume 23 (10), 2013";ChEMBL
MM474430;MM474430;CC(C)CCNc1ccc(-c2cnc3ccc(N4CCC(N(C)C)CC4)nn23)cn1;CEUYRPFXZOTKQS-UHFFFAOYSA-N;407.57;3.78;71612718;;;CHEMBL2380695;GENER;EPAM;25;0;"<a href=https://www.ebi.ac.uk/chembl/assay_report_card/CHEMBL2384453/  target=_blank>CHEMBL2384453</a>";;;;;;;;;-4.86;;;;;;;;;;;;"Chapman TM, Osborne SA, Bouloc N, Large JM, Wallace C, Birchall K, Ansell KH, Jones HM, Taylor D, Clough B, Green JL, Holder AA.: Substituted imidazopyridazines are potent and selective inhibitors of Plasmodium falciparum calcium-dependent protein kinase 1 (PfCDPK1). Bioorg Med Chem Lett, Volume 23 (10), 2013";ChEMBL
MM474429;MM474429;CC(C)CCNc1ccc(-c2cnc3ccc(N4CCC(N)CC4)nn23)cn1;WRLSFIWLUITXLE-UHFFFAOYSA-N;379.51;3.18;;;;;GENER;EPAM;25;0;"<a href=https://www.ebi.ac.uk/chembl/assay_report_card/CHEMBL2384453/  target=_blank>CHEMBL2384453</a>";;;;;;;;;-5.26;;;;;;;;;;;;"Chapman TM, Osborne SA, Bouloc N, Large JM, Wallace C, Birchall K, Ansell KH, Jones HM, Taylor D, Clough B, Green JL, Holder AA.: Substituted imidazopyridazines are potent and selective inhibitors of Plasmodium falciparum calcium-dependent protein kinase 1 (PfCDPK1). Bioorg Med Chem Lett, Volume 23 (10), 2013";ChEMBL
MM472535;MM472535;O=C(O)c1ccccc1Nc1ccccc1;ZWJINEZUASEZBH-UHFFFAOYSA-N;213.24;3.13;;;;;GENER;EPAM;25;0;"<a href=https://www.ebi.ac.uk/chembl/assay_report_card/CHEMBL905612/  target=_blank>CHEMBL905612</a>";;;;;;;;;-4.86;;;;;;;;;;;;"Fujikawa M, Nakao K, Shimizu R, Akamatsu M.: QSAR study on permeability of hydrophobic compounds with artificial membranes. Bioorg Med Chem, Volume 15 (11), 3756-3767, 2007";ChEMBL
MM472891;MM472891;Cc1c(N2CC(=O)NS2(=O)=O)csc1-c1cccc(NC2CCN(S(=O)(=O)Cc3ccccc3)CC2)c1;MRPOOXOVLHKTGX-UHFFFAOYSA-N;560.72;3.31;44439101;;;CHEMBL238538;GENER;EPAM;25;0;"<a href=https://www.ebi.ac.uk/chembl/assay_report_card/CHEMBL886820/  target=_blank>CHEMBL886820</a>";;;;;;;;;-6.72;;;;;;;;;;;;"Wan ZK, Follows B, Kirincich S, Wilson D, Binnun E, Xu W, Joseph-McCarthy D, Wu J, Smith M, Zhang YL, Tam M, Erbe D, Tam S, Saiah E, Lee J.: Probing acid replacements of thiophene PTP1B inhibitors. Bioorg Med Chem Lett, Volume 17 (10), 2007";ChEMBL
MM471891;MM471891;O=C(O)Cc1ccc(Nc2nc(-c3ccccc3)nc3c2S(=O)(=O)CCC3)cc1;LKPAOLJJSTXDIZ-UHFFFAOYSA-N;409.47;3.23;71624964;;;CHEMBL2385749;GENER;EPAM;25;0;"ph = 7.4, <a href=https://www.ebi.ac.uk/chembl/assay_report_card/CHEMBL2389977/  target=_blank>CHEMBL2389977</a>";;;;;;;;;-5.24;;;;;;;;;;;;"Goto T, Shiina A, Yoshino T, Mizukami K, Hirahara K, Suzuki O, Sogawa Y, Takahashi T, Mikkaichi T, Nakao N, Takahashi M, Hasegawa M, Sasaki S.: Identification of the fused bicyclic 4-amino-2-phenylpyrimidine derivatives as novel and potent PDE4 inhibitors. Bioorg Med Chem Lett, Volume 23 (11), 2013";ChEMBL
MM471521;MM471521;COc1cc2[nH]c(C)c(-c3ccccc3)c(=O)c2cc1Cl;;299.76;4.17;49781242;;;CHEMBL1257903;GENER;EPAM;25;0;"ph = 4, <a href=https://www.ebi.ac.uk/chembl/assay_report_card/CHEMBL1261031/  target=_blank>CHEMBL1261031</a>";;;;;;;;;-3.98;;;;;;;;;;;;"Cross RM, Monastyrskyi A, Mutka TS, Burrows JN, Kyle DE, Manetsch R.: Endochin optimization: structure-activity and structure-property relationship studies of 3-substituted 2-methyl-4(1H)-quinolones with antimalarial activity. J Med Chem, Volume 53 (19), 2010";ChEMBL
MM472511;MM472511;O=c1[nH]c2cc(-c3ccccc3)ccc2c2nc(-c3c(F)cccc3Cl)[nH]c12;VTGCIWWYBFGGNJ-UHFFFAOYSA-N;389.82;5.53;56589615;;;CHEMBL2387503;GENER;EPAM;25;0;"ph = 5, <a href=https://www.ebi.ac.uk/chembl/assay_report_card/CHEMBL2389920/  target=_blank>CHEMBL2389920</a>";;;;;;;;;-4.52;;;;;;;;;;;;"Shiro T, Kakiguchi K, Takahashi H, Nagata H, Tobe M.: 7-Phenyl-imidazoquinolin-4(5H)-one derivatives as selective and orally available mPGES-1 inhibitors. Bioorg Med Chem, Volume 21 (11), 2013";ChEMBL
MM471521;MM471521;COc1cc2[nH]c(C)c(-c3ccccc3)c(=O)c2cc1Cl;;299.76;4.17;49781242;;;CHEMBL1257903;GENER;EPAM;25;0;"ph = 7.4, <a href=https://www.ebi.ac.uk/chembl/assay_report_card/CHEMBL1261030/  target=_blank>CHEMBL1261030</a>";;;;;;;;;-4.32;;;;;;;;;;;;"Cross RM, Monastyrskyi A, Mutka TS, Burrows JN, Kyle DE, Manetsch R.: Endochin optimization: structure-activity and structure-property relationship studies of 3-substituted 2-methyl-4(1H)-quinolones with antimalarial activity. J Med Chem, Volume 53 (19), 2010";ChEMBL
MM474433;MM474433;COc1ccccc1OC[C@@H](O)CO;HSRJKNPTNIJEKV-QMMMGPOBSA-N;198.22;0.43;;;;;GENER;EPAM;25;0;"<a href=https://www.ebi.ac.uk/chembl/assay_report_card/CHEMBL2396357/  target=_blank>CHEMBL2396357</a>";;;;;;;;;-5.09;;;;;;;;;;;;"Hadimani MB, Purohit MK, Vanampally C, Van der Ploeg R, Arballo V, Morrow D, Frizzi KE, Calcutt NA, Fernyhough P, Kotra LP.: Guaifenesin derivatives promote neurite outgrowth and protect diabetic mice from neuropathy. J Med Chem, Volume 56 (12), 2013";ChEMBL
MM471522;MM471522;COc1cc2[nH]c(C)c(-c3ccccc3)c(=O)c2cc1Br;;344.21;4.27;49781243;;;CHEMBL1258012;GENER;EPAM;25;0;"ph = 4, <a href=https://www.ebi.ac.uk/chembl/assay_report_card/CHEMBL1261031/  target=_blank>CHEMBL1261031</a>";;;;;;;;;-3.51;;;;;;;;;;;;"Cross RM, Monastyrskyi A, Mutka TS, Burrows JN, Kyle DE, Manetsch R.: Endochin optimization: structure-activity and structure-property relationship studies of 3-substituted 2-methyl-4(1H)-quinolones with antimalarial activity. J Med Chem, Volume 53 (19), 2010";ChEMBL
MM473975;MM473975;COc1c(-c2ccc3c(c2)CC=C3CNS(C)(=O)=O)cc(-n2ccc(=O)[nH]c2=O)cc1C(C)(C)C;NRKKCVNJJVPVTF-UHFFFAOYSA-N;495.6;2.99;25234686;;;CHEMBL2392412;GENER;EPAM;25;0;"<a href=https://www.ebi.ac.uk/chembl/assay_report_card/CHEMBL2393996/  target=_blank>CHEMBL2393996</a>";;;;;;;;;-5.27;;;;;;;;;;;;"Krueger AC, Randolph JT, DeGoey DA, Donner PL, Flentge CA, Hutchinson DK, Liu D, Motter CE, Rockway TW, Wagner R, Beno DW, Koev G, Lim HB, Beyer JM, Mondal R, Liu Y, Kati WM, Longenecker KL, Molla A, Stewart KD, Maring CJ.: Aryl uracil inhibitors of hepatitis C virus NS5B polymerase: synthesis and characterization of analogs with a fused 5,6-bicyclic ring motif. Bioorg Med Chem Lett, Volume 23 (12), 2013";ChEMBL
MM471522;MM471522;COc1cc2[nH]c(C)c(-c3ccccc3)c(=O)c2cc1Br;;344.21;4.27;49781243;;;CHEMBL1258012;GENER;EPAM;25;0;"ph = 7.4, <a href=https://www.ebi.ac.uk/chembl/assay_report_card/CHEMBL1261030/  target=_blank>CHEMBL1261030</a>";;;;;;;;;-3.48;;;;;;;;;;;;"Cross RM, Monastyrskyi A, Mutka TS, Burrows JN, Kyle DE, Manetsch R.: Endochin optimization: structure-activity and structure-property relationship studies of 3-substituted 2-methyl-4(1H)-quinolones with antimalarial activity. J Med Chem, Volume 53 (19), 2010";ChEMBL
MM473974;MM473974;COc1c(-c2ccc3c(c2)CC=C3C(C)(C)NS(C)(=O)=O)cc(-n2ccc(=O)[nH]c2=O)cc1C(C)(C)C;SZESPTRIDHGUMG-UHFFFAOYSA-N;523.66;3.77;25234688;;;CHEMBL2392414;GENER;EPAM;25;0;"<a href=https://www.ebi.ac.uk/chembl/assay_report_card/CHEMBL2393996/  target=_blank>CHEMBL2393996</a>";;;;;;;;;-5.39;;;;;;;;;;;;"Krueger AC, Randolph JT, DeGoey DA, Donner PL, Flentge CA, Hutchinson DK, Liu D, Motter CE, Rockway TW, Wagner R, Beno DW, Koev G, Lim HB, Beyer JM, Mondal R, Liu Y, Kati WM, Longenecker KL, Molla A, Stewart KD, Maring CJ.: Aryl uracil inhibitors of hepatitis C virus NS5B polymerase: synthesis and characterization of analogs with a fused 5,6-bicyclic ring motif. Bioorg Med Chem Lett, Volume 23 (12), 2013";ChEMBL
MM471526;MM471526;COc1cc2[nH]c(C)c(C3CCCCC3)c(=O)c2cc1Cl;;305.81;4.55;49781459;;;CHEMBL1258132;GENER;EPAM;25;0;"ph = 4, <a href=https://www.ebi.ac.uk/chembl/assay_report_card/CHEMBL1261031/  target=_blank>CHEMBL1261031</a>";;;;;;;;;-2.91;;;;;;;;;;;;"Cross RM, Monastyrskyi A, Mutka TS, Burrows JN, Kyle DE, Manetsch R.: Endochin optimization: structure-activity and structure-property relationship studies of 3-substituted 2-methyl-4(1H)-quinolones with antimalarial activity. J Med Chem, Volume 53 (19), 2010";ChEMBL
MM473973;MM473973;COc1c(-c2ccc3c(c2)CCC3=NNS(C)(=O)=O)cc(-n2ccc(=O)[nH]c2=O)cc1C(C)(C)C;BSGREXYSTRLYNX-SZXQPVLSSA-N;496.59;2.7;25234281;;;CHEMBL2392415;GENER;EPAM;25;0;"<a href=https://www.ebi.ac.uk/chembl/assay_report_card/CHEMBL2393996/  target=_blank>CHEMBL2393996</a>";;;;;;;;;-6.33;;;;;;;;;;;;"Krueger AC, Randolph JT, DeGoey DA, Donner PL, Flentge CA, Hutchinson DK, Liu D, Motter CE, Rockway TW, Wagner R, Beno DW, Koev G, Lim HB, Beyer JM, Mondal R, Liu Y, Kati WM, Longenecker KL, Molla A, Stewart KD, Maring CJ.: Aryl uracil inhibitors of hepatitis C virus NS5B polymerase: synthesis and characterization of analogs with a fused 5,6-bicyclic ring motif. Bioorg Med Chem Lett, Volume 23 (12), 2013";ChEMBL
MM471526;MM471526;COc1cc2[nH]c(C)c(C3CCCCC3)c(=O)c2cc1Cl;;305.81;4.55;49781459;;;CHEMBL1258132;GENER;EPAM;25;0;"ph = 7.4, <a href=https://www.ebi.ac.uk/chembl/assay_report_card/CHEMBL1261030/  target=_blank>CHEMBL1261030</a>";;;;;;;;;-3.2;;;;;;;;;;;;"Cross RM, Monastyrskyi A, Mutka TS, Burrows JN, Kyle DE, Manetsch R.: Endochin optimization: structure-activity and structure-property relationship studies of 3-substituted 2-methyl-4(1H)-quinolones with antimalarial activity. J Med Chem, Volume 53 (19), 2010";ChEMBL
MM473972;MM473972;COc1c(-c2ccc3c(c2)CCC3NNS(C)(=O)=O)cc(-n2ccc(=O)[nH]c2=O)cc1C(C)(C)C;LWUPFIBYTKEWJQ-UHFFFAOYSA-N;498.61;2.54;25234446;;;CHEMBL2392416;GENER;EPAM;25;0;"<a href=https://www.ebi.ac.uk/chembl/assay_report_card/CHEMBL2393996/  target=_blank>CHEMBL2393996</a>";;;;;;;;;-6.62;;;;;;;;;;;;"Krueger AC, Randolph JT, DeGoey DA, Donner PL, Flentge CA, Hutchinson DK, Liu D, Motter CE, Rockway TW, Wagner R, Beno DW, Koev G, Lim HB, Beyer JM, Mondal R, Liu Y, Kati WM, Longenecker KL, Molla A, Stewart KD, Maring CJ.: Aryl uracil inhibitors of hepatitis C virus NS5B polymerase: synthesis and characterization of analogs with a fused 5,6-bicyclic ring motif. Bioorg Med Chem Lett, Volume 23 (12), 2013";ChEMBL
MM471527;MM471527;COc1cc2[nH]c(C)c(Cc3ccccc3)c(=O)c2cc1Cl;;313.78;4.09;49781460;;;CHEMBL1258133;GENER;EPAM;25;0;"ph = 4, <a href=https://www.ebi.ac.uk/chembl/assay_report_card/CHEMBL1261031/  target=_blank>CHEMBL1261031</a>";;;;;;;;;-3.24;;;;;;;;;;;;"Cross RM, Monastyrskyi A, Mutka TS, Burrows JN, Kyle DE, Manetsch R.: Endochin optimization: structure-activity and structure-property relationship studies of 3-substituted 2-methyl-4(1H)-quinolones with antimalarial activity. J Med Chem, Volume 53 (19), 2010";ChEMBL
MM473980;MM473980;COc1c(C(=O)Nc2ccc(NS(C)(=O)=O)cc2)cc(N2CCC(=O)NC2=O)cc1C(C)(C)C;;488.57;3.06;58195056;;;CHEMBL2392417;GENER;EPAM;25;0;"<a href=https://www.ebi.ac.uk/chembl/assay_report_card/CHEMBL2393996/  target=_blank>CHEMBL2393996</a>";;;;;;;;;-6.66;;;;;;;;;;;;"Krueger AC, Randolph JT, DeGoey DA, Donner PL, Flentge CA, Hutchinson DK, Liu D, Motter CE, Rockway TW, Wagner R, Beno DW, Koev G, Lim HB, Beyer JM, Mondal R, Liu Y, Kati WM, Longenecker KL, Molla A, Stewart KD, Maring CJ.: Aryl uracil inhibitors of hepatitis C virus NS5B polymerase: synthesis and characterization of analogs with a fused 5,6-bicyclic ring motif. Bioorg Med Chem Lett, Volume 23 (12), 2013";ChEMBL
MM471527;MM471527;COc1cc2[nH]c(C)c(Cc3ccccc3)c(=O)c2cc1Cl;;313.78;4.09;49781460;;;CHEMBL1258133;GENER;EPAM;25;0;"ph = 7.4, <a href=https://www.ebi.ac.uk/chembl/assay_report_card/CHEMBL1261030/  target=_blank>CHEMBL1261030</a>";;;;;;;;;-3.25;;;;;;;;;;;;"Cross RM, Monastyrskyi A, Mutka TS, Burrows JN, Kyle DE, Manetsch R.: Endochin optimization: structure-activity and structure-property relationship studies of 3-substituted 2-methyl-4(1H)-quinolones with antimalarial activity. J Med Chem, Volume 53 (19), 2010";ChEMBL
MM473980;MM473980;COc1c(C(=O)Nc2ccc(NS(C)(=O)=O)cc2)cc(N2CCC(=O)NC2=O)cc1C(C)(C)C;;488.57;3.06;58195056;;;CHEMBL2392417;GENER;EPAM;25;0;"<a href=https://www.ebi.ac.uk/chembl/assay_report_card/CHEMBL4028508/  target=_blank>CHEMBL4028508</a>";;;;;;;;;-6.6;;;;;;;;;;;;"Randolph JT, Krueger AC, Donner PL, Pratt JK, Liu D, Motter CE, Rockway TW, Tufano MD, Wagner R, Lim HB, Beyer JM, Mondal R, Panchal NS, Colletti L, Liu Y, Koev G, Kati WM, Hernandez LE, Beno DWA, Longenecker KL, Stewart KD, Dumas EO, Molla A, Maring CJ.: Synthesis and Biological Characterization of Aryl Uracil Inhibitors of Hepatitis C Virus NS5B Polymerase: Discovery of ABT-072, a trans-Stilbene Analog with Good Oral Bioavailability. J Med Chem, Volume 61 (3), 2018";ChEMBL
MM471529;MM471529;C=C(CCCCC)c1c(C)[nH]c2cc(OC)c(Cl)cc2c1=O;;319.83;5.09;49781686;;;CHEMBL1258246;GENER;EPAM;25;0;"ph = 4, <a href=https://www.ebi.ac.uk/chembl/assay_report_card/CHEMBL1261031/  target=_blank>CHEMBL1261031</a>";;;;;;;;;-3.11;;;;;;;;;;;;"Cross RM, Monastyrskyi A, Mutka TS, Burrows JN, Kyle DE, Manetsch R.: Endochin optimization: structure-activity and structure-property relationship studies of 3-substituted 2-methyl-4(1H)-quinolones with antimalarial activity. J Med Chem, Volume 53 (19), 2010";ChEMBL
MM473979;MM473979;COc1c(-c2ccc3c(CNS(C)(=O)=O)csc3c2)cc(-n2ccc(=O)[nH]c2=O)cc1C(C)(C)C;CNFBZBKPLGSFTC-UHFFFAOYSA-N;513.64;3.76;25234613;;;CHEMBL2392419;GENER;EPAM;25;0;"<a href=https://www.ebi.ac.uk/chembl/assay_report_card/CHEMBL2393996/  target=_blank>CHEMBL2393996</a>";;;;;;;;;-6.09;;;;;;;;;;;;"Krueger AC, Randolph JT, DeGoey DA, Donner PL, Flentge CA, Hutchinson DK, Liu D, Motter CE, Rockway TW, Wagner R, Beno DW, Koev G, Lim HB, Beyer JM, Mondal R, Liu Y, Kati WM, Longenecker KL, Molla A, Stewart KD, Maring CJ.: Aryl uracil inhibitors of hepatitis C virus NS5B polymerase: synthesis and characterization of analogs with a fused 5,6-bicyclic ring motif. Bioorg Med Chem Lett, Volume 23 (12), 2013";ChEMBL
MM471529;MM471529;C=C(CCCCC)c1c(C)[nH]c2cc(OC)c(Cl)cc2c1=O;;319.83;5.09;49781686;;;CHEMBL1258246;GENER;EPAM;25;0;"ph = 7.4, <a href=https://www.ebi.ac.uk/chembl/assay_report_card/CHEMBL1261030/  target=_blank>CHEMBL1261030</a>";;;;;;;;;-3.12;;;;;;;;;;;;"Cross RM, Monastyrskyi A, Mutka TS, Burrows JN, Kyle DE, Manetsch R.: Endochin optimization: structure-activity and structure-property relationship studies of 3-substituted 2-methyl-4(1H)-quinolones with antimalarial activity. J Med Chem, Volume 53 (19), 2010";ChEMBL
MM473978;MM473978;COc1c(-c2ccc3nc(NS(C)(=O)=O)sc3c2)cc(-n2ccc(=O)[nH]c2=O)cc1C(C)(C)C;VQTJHVDHKTWBNP-UHFFFAOYSA-N;500.6;3.48;25234761;;;CHEMBL2392420;GENER;EPAM;25;0;"<a href=https://www.ebi.ac.uk/chembl/assay_report_card/CHEMBL2393996/  target=_blank>CHEMBL2393996</a>";;;;;;;;;-5.85;;;;;;;;;;;;"Krueger AC, Randolph JT, DeGoey DA, Donner PL, Flentge CA, Hutchinson DK, Liu D, Motter CE, Rockway TW, Wagner R, Beno DW, Koev G, Lim HB, Beyer JM, Mondal R, Liu Y, Kati WM, Longenecker KL, Molla A, Stewart KD, Maring CJ.: Aryl uracil inhibitors of hepatitis C virus NS5B polymerase: synthesis and characterization of analogs with a fused 5,6-bicyclic ring motif. Bioorg Med Chem Lett, Volume 23 (12), 2013";ChEMBL
MM471530;MM471530;COc1cc2[nH]c(C)c(C=CC(=O)OC(C)(C)C)c(=O)c2cc1Cl;;349.81;3.85;49781688;;;CHEMBL1258248;GENER;EPAM;25;0;"ph = 4, <a href=https://www.ebi.ac.uk/chembl/assay_report_card/CHEMBL1261031/  target=_blank>CHEMBL1261031</a>";;;;;;;;;-3.6;;;;;;;;;;;;"Cross RM, Monastyrskyi A, Mutka TS, Burrows JN, Kyle DE, Manetsch R.: Endochin optimization: structure-activity and structure-property relationship studies of 3-substituted 2-methyl-4(1H)-quinolones with antimalarial activity. J Med Chem, Volume 53 (19), 2010";ChEMBL
MM473977;MM473977;COc1c(-c2ccc3cc(CNS(C)(=O)=O)sc3c2)cc(-n2ccc(=O)[nH]c2=O)cc1C(C)(C)C;NWDQPWDUNFAXND-UHFFFAOYSA-N;513.64;3.76;25234914;;;CHEMBL2392421;GENER;EPAM;25;0;"<a href=https://www.ebi.ac.uk/chembl/assay_report_card/CHEMBL2393996/  target=_blank>CHEMBL2393996</a>";;;;;;;;;-6.09;;;;;;;;;;;;"Krueger AC, Randolph JT, DeGoey DA, Donner PL, Flentge CA, Hutchinson DK, Liu D, Motter CE, Rockway TW, Wagner R, Beno DW, Koev G, Lim HB, Beyer JM, Mondal R, Liu Y, Kati WM, Longenecker KL, Molla A, Stewart KD, Maring CJ.: Aryl uracil inhibitors of hepatitis C virus NS5B polymerase: synthesis and characterization of analogs with a fused 5,6-bicyclic ring motif. Bioorg Med Chem Lett, Volume 23 (12), 2013";ChEMBL
MM471530;MM471530;COc1cc2[nH]c(C)c(C=CC(=O)OC(C)(C)C)c(=O)c2cc1Cl;;349.81;3.85;49781688;;;CHEMBL1258248;GENER;EPAM;25;0;"ph = 7.4, <a href=https://www.ebi.ac.uk/chembl/assay_report_card/CHEMBL1261030/  target=_blank>CHEMBL1261030</a>";;;;;;;;;-3.58;;;;;;;;;;;;"Cross RM, Monastyrskyi A, Mutka TS, Burrows JN, Kyle DE, Manetsch R.: Endochin optimization: structure-activity and structure-property relationship studies of 3-substituted 2-methyl-4(1H)-quinolones with antimalarial activity. J Med Chem, Volume 53 (19), 2010";ChEMBL
MM473976;MM473976;COc1c(-c2ccc3c(c2)CCC3CNS(C)(=O)=O)cc(-n2ccc(=O)[nH]c2=O)cc1C(C)(C)C;IYTYOXLXXMKIMX-UHFFFAOYSA-N;497.62;3.08;25234361;;;CHEMBL2392422;GENER;EPAM;25;0;"<a href=https://www.ebi.ac.uk/chembl/assay_report_card/CHEMBL2393996/  target=_blank>CHEMBL2393996</a>";;;;;;;;;-5.05;;;;;;;;;;;;"Krueger AC, Randolph JT, DeGoey DA, Donner PL, Flentge CA, Hutchinson DK, Liu D, Motter CE, Rockway TW, Wagner R, Beno DW, Koev G, Lim HB, Beyer JM, Mondal R, Liu Y, Kati WM, Longenecker KL, Molla A, Stewart KD, Maring CJ.: Aryl uracil inhibitors of hepatitis C virus NS5B polymerase: synthesis and characterization of analogs with a fused 5,6-bicyclic ring motif. Bioorg Med Chem Lett, Volume 23 (12), 2013";ChEMBL
MM473970;MM473970;CCCn1nc(NC(=O)NC2C3CC4CC(C3)CC2C4)cc1C;MZSJMBUEKNPGKA-UHFFFAOYSA-N;316.45;3.55;71603119;;;CHEMBL2392718;GENER;EPAM;25;0;"<a href=https://www.ebi.ac.uk/chembl/assay_report_card/CHEMBL2394219/  target=_blank>CHEMBL2394219</a>";;;;;;;;;-3.4;;;;;;;;;;;;"North EJ, Scherman MS, Bruhn DF, Scarborough JS, Maddox MM, Jones V, Grzegorzewicz A, Yang L, Hess T, Morisseau C, Jackson M, McNeil MR, Lee RE.: Design, synthesis and anti-tuberculosis activity of 1-adamantyl-3-heteroaryl ureas with improved in vitro pharmacokinetic properties. Bioorg Med Chem, Volume 21 (9), 2013";ChEMBL
MM473969;MM473969;O=C(Nc1nccs1)NC12CC3CC(CC(C3)C1)C2;CEPVJDPYPKTWKB-UHFFFAOYSA-N;277.39;3.23;4686891;;;CHEMBL2392720;GENER;EPAM;25;0;"<a href=https://www.ebi.ac.uk/chembl/assay_report_card/CHEMBL2394219/  target=_blank>CHEMBL2394219</a>";;;;;;;;;-3.27;;;;;;;;;;;;"North EJ, Scherman MS, Bruhn DF, Scarborough JS, Maddox MM, Jones V, Grzegorzewicz A, Yang L, Hess T, Morisseau C, Jackson M, McNeil MR, Lee RE.: Design, synthesis and anti-tuberculosis activity of 1-adamantyl-3-heteroaryl ureas with improved in vitro pharmacokinetic properties. Bioorg Med Chem, Volume 21 (9), 2013";ChEMBL
MM473968;MM473968;Cc1csc(NC(=O)NC23CC4CC(CC(C4)C2)C3)n1;GZINVYLOJRBPTG-UHFFFAOYSA-N;291.42;3.54;;;;;GENER;EPAM;25;0;"<a href=https://www.ebi.ac.uk/chembl/assay_report_card/CHEMBL2394219/  target=_blank>CHEMBL2394219</a>";;;;;;;;;-3.12;;;;;;;;;;;;"North EJ, Scherman MS, Bruhn DF, Scarborough JS, Maddox MM, Jones V, Grzegorzewicz A, Yang L, Hess T, Morisseau C, Jackson M, McNeil MR, Lee RE.: Design, synthesis and anti-tuberculosis activity of 1-adamantyl-3-heteroaryl ureas with improved in vitro pharmacokinetic properties. Bioorg Med Chem, Volume 21 (9), 2013";ChEMBL
MM473967;MM473967;Cc1cnc(NC(=O)NC23CC4CC(CC(C4)C2)C3)s1;QDNCTWGSGILVRL-UHFFFAOYSA-N;291.42;3.54;47103132;;;CHEMBL2392722;GENER;EPAM;25;0;"<a href=https://www.ebi.ac.uk/chembl/assay_report_card/CHEMBL2394219/  target=_blank>CHEMBL2394219</a>";;;;;;;;;-4.52;;;;;;;;;;;;"North EJ, Scherman MS, Bruhn DF, Scarborough JS, Maddox MM, Jones V, Grzegorzewicz A, Yang L, Hess T, Morisseau C, Jackson M, McNeil MR, Lee RE.: Design, synthesis and anti-tuberculosis activity of 1-adamantyl-3-heteroaryl ureas with improved in vitro pharmacokinetic properties. Bioorg Med Chem, Volume 21 (9), 2013";ChEMBL
MM473966;MM473966;CC(C)c1nnc(NC(=O)NC23CC4CC(CC(C4)C2)C3)o1;OSDZNESIEIWHIO-UHFFFAOYSA-N;304.39;3.28;71602943;;;CHEMBL2392725;GENER;EPAM;25;0;"<a href=https://www.ebi.ac.uk/chembl/assay_report_card/CHEMBL2394219/  target=_blank>CHEMBL2394219</a>";;;;;;;;;-3.48;;;;;;;;;;;;"North EJ, Scherman MS, Bruhn DF, Scarborough JS, Maddox MM, Jones V, Grzegorzewicz A, Yang L, Hess T, Morisseau C, Jackson M, McNeil MR, Lee RE.: Design, synthesis and anti-tuberculosis activity of 1-adamantyl-3-heteroaryl ureas with improved in vitro pharmacokinetic properties. Bioorg Med Chem, Volume 21 (9), 2013";ChEMBL
MM473965;MM473965;CCCn1nc(NC(=O)NC23CC4CC(CC(C4)C2)C3)cc1C;BUYVCAFQTNKBIY-UHFFFAOYSA-N;316.45;3.69;71602998;;;CHEMBL2392731;GENER;EPAM;25;0;"<a href=https://www.ebi.ac.uk/chembl/assay_report_card/CHEMBL2394219/  target=_blank>CHEMBL2394219</a>";;;;;;;;;-3.09;;;;;;;;;;;;"North EJ, Scherman MS, Bruhn DF, Scarborough JS, Maddox MM, Jones V, Grzegorzewicz A, Yang L, Hess T, Morisseau C, Jackson M, McNeil MR, Lee RE.: Design, synthesis and anti-tuberculosis activity of 1-adamantyl-3-heteroaryl ureas with improved in vitro pharmacokinetic properties. Bioorg Med Chem, Volume 21 (9), 2013";ChEMBL
MM473964;MM473964;CC(C)(C)c1cc(NC(=O)NC2C3CC4CC(C3)CC2C4)no1;TWENLQAITOETCW-UHFFFAOYSA-N;317.43;3.92;71603056;;;CHEMBL2392734;GENER;EPAM;25;0;"<a href=https://www.ebi.ac.uk/chembl/assay_report_card/CHEMBL2394219/  target=_blank>CHEMBL2394219</a>";;;;;;;;;-2.94;;;;;;;;;;;;"North EJ, Scherman MS, Bruhn DF, Scarborough JS, Maddox MM, Jones V, Grzegorzewicz A, Yang L, Hess T, Morisseau C, Jackson M, McNeil MR, Lee RE.: Design, synthesis and anti-tuberculosis activity of 1-adamantyl-3-heteroaryl ureas with improved in vitro pharmacokinetic properties. Bioorg Med Chem, Volume 21 (9), 2013";ChEMBL
MM473963;MM473963;Cc1csc(NC(=O)NC2C3CC4CC(C3)CC2C4)n1;BZWAQJJUJUGDCR-UHFFFAOYSA-N;291.42;3.4;71603058;;;CHEMBL2392736;GENER;EPAM;25;0;"<a href=https://www.ebi.ac.uk/chembl/assay_report_card/CHEMBL2394219/  target=_blank>CHEMBL2394219</a>";;;;;;;;;-3.16;;;;;;;;;;;;"North EJ, Scherman MS, Bruhn DF, Scarborough JS, Maddox MM, Jones V, Grzegorzewicz A, Yang L, Hess T, Morisseau C, Jackson M, McNeil MR, Lee RE.: Design, synthesis and anti-tuberculosis activity of 1-adamantyl-3-heteroaryl ureas with improved in vitro pharmacokinetic properties. Bioorg Med Chem, Volume 21 (9), 2013";ChEMBL
MM473962;MM473962;CC(C)c1nnc(NC(=O)NC2C3CC4CC(C3)CC2C4)o1;GYRPEMAUAOASTR-UHFFFAOYSA-N;304.39;3.14;71603059;;;CHEMBL2392737;GENER;EPAM;25;0;"<a href=https://www.ebi.ac.uk/chembl/assay_report_card/CHEMBL2394219/  target=_blank>CHEMBL2394219</a>";;;;;;;;;-3.32;;;;;;;;;;;;"North EJ, Scherman MS, Bruhn DF, Scarborough JS, Maddox MM, Jones V, Grzegorzewicz A, Yang L, Hess T, Morisseau C, Jackson M, McNeil MR, Lee RE.: Design, synthesis and anti-tuberculosis activity of 1-adamantyl-3-heteroaryl ureas with improved in vitro pharmacokinetic properties. Bioorg Med Chem, Volume 21 (9), 2013";ChEMBL
MM473961;MM473961;O=C(Nc1nnc(C2CC2)o1)NC1C2CC3CC(C2)CC1C3;PABDFSBOTCYGMU-UHFFFAOYSA-N;302.38;2.89;71603060;;;CHEMBL2392738;GENER;EPAM;25;0;"<a href=https://www.ebi.ac.uk/chembl/assay_report_card/CHEMBL2394219/  target=_blank>CHEMBL2394219</a>";;;;;;;;;-3.07;;;;;;;;;;;;"North EJ, Scherman MS, Bruhn DF, Scarborough JS, Maddox MM, Jones V, Grzegorzewicz A, Yang L, Hess T, Morisseau C, Jackson M, McNeil MR, Lee RE.: Design, synthesis and anti-tuberculosis activity of 1-adamantyl-3-heteroaryl ureas with improved in vitro pharmacokinetic properties. Bioorg Med Chem, Volume 21 (9), 2013";ChEMBL
MM473960;MM473960;O=C(Nc1nnc(C2CCC2)o1)NC1C2CC3CC(C2)CC1C3;JWRUCAWPBUBNQH-UHFFFAOYSA-N;316.41;3.28;71603061;;;CHEMBL2392739;GENER;EPAM;25;0;"<a href=https://www.ebi.ac.uk/chembl/assay_report_card/CHEMBL2394219/  target=_blank>CHEMBL2394219</a>";;;;;;;;;-3.07;;;;;;;;;;;;"North EJ, Scherman MS, Bruhn DF, Scarborough JS, Maddox MM, Jones V, Grzegorzewicz A, Yang L, Hess T, Morisseau C, Jackson M, McNeil MR, Lee RE.: Design, synthesis and anti-tuberculosis activity of 1-adamantyl-3-heteroaryl ureas with improved in vitro pharmacokinetic properties. Bioorg Med Chem, Volume 21 (9), 2013";ChEMBL
MM473971;MM473971;CCn1nc(NC(=O)NC2C3CC4CC(C3)CC2C4)cc1C;DJRXZTPBXKMXJQ-UHFFFAOYSA-N;302.42;3.16;71603118;;;CHEMBL2392740;GENER;EPAM;25;0;"<a href=https://www.ebi.ac.uk/chembl/assay_report_card/CHEMBL2394219/  target=_blank>CHEMBL2394219</a>";;;;;;;;;-3;;;;;;;;;;;;"North EJ, Scherman MS, Bruhn DF, Scarborough JS, Maddox MM, Jones V, Grzegorzewicz A, Yang L, Hess T, Morisseau C, Jackson M, McNeil MR, Lee RE.: Design, synthesis and anti-tuberculosis activity of 1-adamantyl-3-heteroaryl ureas with improved in vitro pharmacokinetic properties. Bioorg Med Chem, Volume 21 (9), 2013";ChEMBL
MM472635;MM472635;CC(C)OC(=O)OCOc1cc(O)c2c(=O)c(O)c(-c3ccc(O)c(O)c3)oc2c1;;418.35;3.18;57382106;;;CHEMBL2396975;GENER;EPAM;25;0;"<a href=https://www.ebi.ac.uk/chembl/assay_report_card/CHEMBL2398996/  target=_blank>CHEMBL2398996</a>";;;;;;;;;-4.38;;;;;;;;;;;;"Cho SY, Kim MK, Park KS, Choo H, Chong Y.: Quercetin-POC conjugates: Differential stability and bioactivity profiles between breast cancer (MCF-7) and colorectal carcinoma (HCT116) cell lines. Bioorg Med Chem, Volume 21 (7), 2013";ChEMBL
MM472635;MM472635;CC(C)OC(=O)OCOc1cc(O)c2c(=O)c(O)c(-c3ccc(O)c(O)c3)oc2c1;;418.35;3.18;57382106;;;CHEMBL2396975;GENER;EPAM;25;0;"<a href=https://www.ebi.ac.uk/chembl/assay_report_card/CHEMBL2398998/  target=_blank>CHEMBL2398998</a>";;;;;;;;;-4.13;;;;;;;;;;;;"Cho SY, Kim MK, Park KS, Choo H, Chong Y.: Quercetin-POC conjugates: Differential stability and bioactivity profiles between breast cancer (MCF-7) and colorectal carcinoma (HCT116) cell lines. Bioorg Med Chem, Volume 21 (7), 2013";ChEMBL
MM472636;MM472636;CC(C)OC(=O)OCOc1c(-c2ccc(O)c(O)c2)oc2cc(O)cc(O)c2c1=O;;418.35;3.18;71583735;;;CHEMBL2396976;GENER;EPAM;25;0;"<a href=https://www.ebi.ac.uk/chembl/assay_report_card/CHEMBL2398996/  target=_blank>CHEMBL2398996</a>";;;;;;;;;-5.01;;;;;;;;;;;;"Cho SY, Kim MK, Park KS, Choo H, Chong Y.: Quercetin-POC conjugates: Differential stability and bioactivity profiles between breast cancer (MCF-7) and colorectal carcinoma (HCT116) cell lines. Bioorg Med Chem, Volume 21 (7), 2013";ChEMBL
MM472636;MM472636;CC(C)OC(=O)OCOc1c(-c2ccc(O)c(O)c2)oc2cc(O)cc(O)c2c1=O;;418.35;3.18;71583735;;;CHEMBL2396976;GENER;EPAM;25;0;"<a href=https://www.ebi.ac.uk/chembl/assay_report_card/CHEMBL2398998/  target=_blank>CHEMBL2398998</a>";;;;;;;;;-4.56;;;;;;;;;;;;"Cho SY, Kim MK, Park KS, Choo H, Chong Y.: Quercetin-POC conjugates: Differential stability and bioactivity profiles between breast cancer (MCF-7) and colorectal carcinoma (HCT116) cell lines. Bioorg Med Chem, Volume 21 (7), 2013";ChEMBL
MM473989;MM473989;ClC(Cn1ncc2c(Nc3cccc(Br)c3)ncnc21)c1ccccc1;DGUCATVGNKWMHQ-UHFFFAOYSA-N;428.72;5.31;71747830;;;CHEMBL2397799;GENER;EPAM;25;0;"<a href=https://www.ebi.ac.uk/chembl/assay_report_card/CHEMBL2399896/  target=_blank>CHEMBL2399896</a>";;;;;;;;;-5.49;;;;;;;;;;;;"Radi M, Tintori C, Musumeci F, Brullo C, Zamperini C, Dreassi E, Fallacara AL, Vignaroli G, Crespan E, Zanoli S, Laurenzana I, Filippi I, Maga G, Schenone S, Angelucci A, Botta M.: Design, synthesis, and biological evaluation of pyrazolo[3,4-d]pyrimidines active in vivo on the Bcr-Abl T315I mutant. J Med Chem, Volume 56 (13), 2013";ChEMBL
MM473988;MM473988;Fc1cccc(Nc2ncnc3c2cnn3CC(Cl)c2ccccc2)c1;GXIBVDBBEJEVPC-UHFFFAOYSA-N;367.82;4.69;71747831;;;CHEMBL2397800;GENER;EPAM;25;0;"<a href=https://www.ebi.ac.uk/chembl/assay_report_card/CHEMBL2399896/  target=_blank>CHEMBL2399896</a>";;;;;;;;;-5.12;;;;;;;;;;;;"Radi M, Tintori C, Musumeci F, Brullo C, Zamperini C, Dreassi E, Fallacara AL, Vignaroli G, Crespan E, Zanoli S, Laurenzana I, Filippi I, Maga G, Schenone S, Angelucci A, Botta M.: Design, synthesis, and biological evaluation of pyrazolo[3,4-d]pyrimidines active in vivo on the Bcr-Abl T315I mutant. J Med Chem, Volume 56 (13), 2013";ChEMBL
MM473987;MM473987;ClC(Cn1ncc2c(Nc3ccccc3)ncnc21)c1ccc(Br)cc1;;428.72;5.31;71747833;;;CHEMBL2397802;GENER;EPAM;25;0;"<a href=https://www.ebi.ac.uk/chembl/assay_report_card/CHEMBL4013498/  target=_blank>CHEMBL4013498</a>";;;;;;;;;-5.18;;;;;;;;;;;;"Vignaroli G, Iovenitti G, Zamperini C, Coniglio F, Calandro P, Molinari A, Fallacara AL, Sartucci A, Calgani A, Colecchia D, Mancini A, Festuccia C, Dreassi E, Valoti M, Musumeci F, Chiariello M, Angelucci A, Botta M, Schenone S.: Prodrugs of Pyrazolo[3,4-d]pyrimidines: From Library Synthesis to Evaluation as Potential Anticancer Agents in an Orthotopic Glioblastoma Model. J Med Chem, Volume 60 (14), 2017";ChEMBL
MM473987;MM473987;ClC(Cn1ncc2c(Nc3ccccc3)ncnc21)c1ccc(Br)cc1;;428.72;5.31;71747833;;;CHEMBL2397802;GENER;EPAM;25;0;"<a href=https://www.ebi.ac.uk/chembl/assay_report_card/CHEMBL2399896/  target=_blank>CHEMBL2399896</a>";;;;;;;;;-5.18;;;;;;;;;;;;"Radi M, Tintori C, Musumeci F, Brullo C, Zamperini C, Dreassi E, Fallacara AL, Vignaroli G, Crespan E, Zanoli S, Laurenzana I, Filippi I, Maga G, Schenone S, Angelucci A, Botta M.: Design, synthesis, and biological evaluation of pyrazolo[3,4-d]pyrimidines active in vivo on the Bcr-Abl T315I mutant. J Med Chem, Volume 56 (13), 2013";ChEMBL
MM473986;MM473986;Clc1cccc(CNc2ncnc3c2cnn3CC(Cl)c2ccc(Br)cc2)c1;QNKRFRCYRMDLLE-UHFFFAOYSA-N;477.19;5.83;;;;;GENER;EPAM;25;0;"<a href=https://www.ebi.ac.uk/chembl/assay_report_card/CHEMBL2399896/  target=_blank>CHEMBL2399896</a>";;;;;;;;;-5.04;;;;;;;;;;;;"Radi M, Tintori C, Musumeci F, Brullo C, Zamperini C, Dreassi E, Fallacara AL, Vignaroli G, Crespan E, Zanoli S, Laurenzana I, Filippi I, Maga G, Schenone S, Angelucci A, Botta M.: Design, synthesis, and biological evaluation of pyrazolo[3,4-d]pyrimidines active in vivo on the Bcr-Abl T315I mutant. J Med Chem, Volume 56 (13), 2013";ChEMBL
MM473985;MM473985;Clc1ccccc1CNc1ncnc2c1cnn2CC(Cl)c1ccc(Br)cc1;;477.19;5.83;71748014;;;CHEMBL2397805;GENER;EPAM;25;0;"<a href=https://www.ebi.ac.uk/chembl/assay_report_card/CHEMBL4013498/  target=_blank>CHEMBL4013498</a>";;;;;;;;;-5.06;;;;;;;;;;;;"Vignaroli G, Iovenitti G, Zamperini C, Coniglio F, Calandro P, Molinari A, Fallacara AL, Sartucci A, Calgani A, Colecchia D, Mancini A, Festuccia C, Dreassi E, Valoti M, Musumeci F, Chiariello M, Angelucci A, Botta M, Schenone S.: Prodrugs of Pyrazolo[3,4-d]pyrimidines: From Library Synthesis to Evaluation as Potential Anticancer Agents in an Orthotopic Glioblastoma Model. J Med Chem, Volume 60 (14), 2017";ChEMBL
MM473985;MM473985;Clc1ccccc1CNc1ncnc2c1cnn2CC(Cl)c1ccc(Br)cc1;;477.19;5.83;71748014;;;CHEMBL2397805;GENER;EPAM;25;0;"<a href=https://www.ebi.ac.uk/chembl/assay_report_card/CHEMBL2399896/  target=_blank>CHEMBL2399896</a>";;;;;;;;;-5.06;;;;;;;;;;;;"Radi M, Tintori C, Musumeci F, Brullo C, Zamperini C, Dreassi E, Fallacara AL, Vignaroli G, Crespan E, Zanoli S, Laurenzana I, Filippi I, Maga G, Schenone S, Angelucci A, Botta M.: Design, synthesis, and biological evaluation of pyrazolo[3,4-d]pyrimidines active in vivo on the Bcr-Abl T315I mutant. J Med Chem, Volume 56 (13), 2013";ChEMBL
MM473984;MM473984;Clc1ccc(CNc2ncnc3c2cnn3CC(Cl)c2ccc(Br)cc2)cc1;BDVXUKAIEGCZSB-UHFFFAOYSA-N;477.19;5.83;71748015;;;CHEMBL2397806;GENER;EPAM;25;0;"<a href=https://www.ebi.ac.uk/chembl/assay_report_card/CHEMBL2399896/  target=_blank>CHEMBL2399896</a>";;;;;;;;;-5.37;;;;;;;;;;;;"Radi M, Tintori C, Musumeci F, Brullo C, Zamperini C, Dreassi E, Fallacara AL, Vignaroli G, Crespan E, Zanoli S, Laurenzana I, Filippi I, Maga G, Schenone S, Angelucci A, Botta M.: Design, synthesis, and biological evaluation of pyrazolo[3,4-d]pyrimidines active in vivo on the Bcr-Abl T315I mutant. J Med Chem, Volume 56 (13), 2013";ChEMBL
MM473983;MM473983;Fc1ccc(CNc2ncnc3c2cnn3CC(Cl)c2ccc(Br)cc2)cc1;MEFXUBVFUNBNFN-UHFFFAOYSA-N;460.74;5.32;71748018;;;CHEMBL2397809;GENER;EPAM;25;0;"<a href=https://www.ebi.ac.uk/chembl/assay_report_card/CHEMBL2399896/  target=_blank>CHEMBL2399896</a>";;;;;;;;;-4.97;;;;;;;;;;;;"Radi M, Tintori C, Musumeci F, Brullo C, Zamperini C, Dreassi E, Fallacara AL, Vignaroli G, Crespan E, Zanoli S, Laurenzana I, Filippi I, Maga G, Schenone S, Angelucci A, Botta M.: Design, synthesis, and biological evaluation of pyrazolo[3,4-d]pyrimidines active in vivo on the Bcr-Abl T315I mutant. J Med Chem, Volume 56 (13), 2013";ChEMBL
MM473982;MM473982;ClC(Cn1ncc2c(NCc3ccc(Br)cc3)ncnc21)c1ccc(Br)cc1;FRNGTWDSALHYQF-UHFFFAOYSA-N;521.64;5.94;71745296;;;CHEMBL2397812;GENER;EPAM;25;0;"<a href=https://www.ebi.ac.uk/chembl/assay_report_card/CHEMBL2399896/  target=_blank>CHEMBL2399896</a>";;;;;;;;;-5.47;;;;;;;;;;;;"Radi M, Tintori C, Musumeci F, Brullo C, Zamperini C, Dreassi E, Fallacara AL, Vignaroli G, Crespan E, Zanoli S, Laurenzana I, Filippi I, Maga G, Schenone S, Angelucci A, Botta M.: Design, synthesis, and biological evaluation of pyrazolo[3,4-d]pyrimidines active in vivo on the Bcr-Abl T315I mutant. J Med Chem, Volume 56 (13), 2013";ChEMBL
MM472630;MM472630;O=C(Nc1ccc(Cl)cc1)C1CCCN(C(=O)c2cccc(-c3cccs3)c2)C1;WXBQPCKIPAMLGX-UHFFFAOYSA-N;424.95;5.56;73349029;;;CHEMBL2398669;GENER;EPAM;25;0;"<a href=https://www.ebi.ac.uk/chembl/assay_report_card/CHEMBL2398830/  target=_blank>CHEMBL2398830</a>";;;;;;;;;-10;;;;;;;;;;;;"Bell JL, Haak AJ, Wade SM, Kirchhoff PD, Neubig RR, Larsen SD.: Optimization of novel nipecotic bis(amide) inhibitors of the Rho/MKL1/SRF transcriptional pathway as potential anti-metastasis agents. Bioorg Med Chem Lett, Volume 23 (13), 2013";ChEMBL
MM472633;MM472633;O=C(Nc1ccc(Cl)cc1)C1CCCN(C(=O)c2cccc(-c3ccco3)c2)C1;HERLZBNILRVHQN-UHFFFAOYSA-N;408.89;5.09;71681561;;;CHEMBL2398678;GENER;EPAM;25;0;"<a href=https://www.ebi.ac.uk/chembl/assay_report_card/CHEMBL2398830/  target=_blank>CHEMBL2398830</a>";;;;;;;;;-8.3;;;;;;;;;;;;"Bell JL, Haak AJ, Wade SM, Kirchhoff PD, Neubig RR, Larsen SD.: Optimization of novel nipecotic bis(amide) inhibitors of the Rho/MKL1/SRF transcriptional pathway as potential anti-metastasis agents. Bioorg Med Chem Lett, Volume 23 (13), 2013";ChEMBL
MM472632;MM472632;O=C(Nc1cccc(Oc2ccccc2)c1)C1CCCN(C(=O)c2cc(C(F)(F)F)cc(C(F)(F)F)c2)C1;QETYFFHAWUQFJS-UHFFFAOYSA-N;536.47;7.01;71682046;;;CHEMBL2398697;GENER;EPAM;25;0;"<a href=https://www.ebi.ac.uk/chembl/assay_report_card/CHEMBL2398830/  target=_blank>CHEMBL2398830</a>";;;;;;;;;-5.1;;;;;;;;;;;;"Bell JL, Haak AJ, Wade SM, Kirchhoff PD, Neubig RR, Larsen SD.: Optimization of novel nipecotic bis(amide) inhibitors of the Rho/MKL1/SRF transcriptional pathway as potential anti-metastasis agents. Bioorg Med Chem Lett, Volume 23 (13), 2013";ChEMBL
MM472631;MM472631;O=C(Nc1cccc(Cc2ccccc2)c1)C1CCCN(C(=O)c2cc(C(F)(F)F)cc(C(F)(F)F)c2)C1;PIADYIGFSLLCTB-UHFFFAOYSA-N;534.5;6.81;71682047;;;CHEMBL2398698;GENER;EPAM;25;0;"<a href=https://www.ebi.ac.uk/chembl/assay_report_card/CHEMBL2398830/  target=_blank>CHEMBL2398830</a>";;;;;;;;;-4.7;;;;;;;;;;;;"Bell JL, Haak AJ, Wade SM, Kirchhoff PD, Neubig RR, Larsen SD.: Optimization of novel nipecotic bis(amide) inhibitors of the Rho/MKL1/SRF transcriptional pathway as potential anti-metastasis agents. Bioorg Med Chem Lett, Volume 23 (13), 2013";ChEMBL
Atenolol;MM00078;CC(C)NCC(O)COc1ccc(CC(N)=O)cc1;METKIMKYRPQLGS-GFCCVEGCSA-N;266.34;0.45;2249;DB00335;;CHEMBL24;GENER;EPAM;25;0;"<a href=https://www.ebi.ac.uk/chembl/assay_report_card/CHEMBL902035/  target=_blank>CHEMBL902035</a>";;;;;;;;;-8.7;;;;;;;;;;;;"Chatterjee J, Ovadia O, Zahn G, Marinelli L, Hoffman A, Gilon C, Kessler H.: Multiple N-methylation by a designed approach enhances receptor selectivity. J Med Chem, Volume 50 (24), 2007";ChEMBL
MM471895;MM471895;CC(=O)N1CCC(n2cc(-c3coc4c(OC(C)c5c(Cl)ccc(F)c5Cl)c(N)ncc34)cn2)CC1;MBGJDTXAMHYTKV-CYBMUJFWSA-N;532.4;6.04;57812563;;;CHEMBL2401819;GENER;EPAM;25;0;"ph = 7.4, <a href=https://www.ebi.ac.uk/chembl/assay_report_card/CHEMBL2406488/  target=_blank>CHEMBL2406488</a>";;;;;;;;;-3.5;;;;;;;;;;;;"Steinig AG, Li AH, Wang J, Chen X, Dong H, Ferraro C, Jin M, Kadalbajoo M, Kleinberg A, Stolz KM, Tavares-Greco PA, Wang T, Albertella MR, Peng Y, Crew L, Kahler J, Kan J, Schulz R, Cooke A, Bittner M, Turton RW, Franklin M, Gokhale P, Landfair D, Mantis C, Workman J, Wild R, Pachter J, Epstein D, Mulvihill MJ.: Novel 6-aminofuro[3,2-c]pyridines as potent, orally efficacious inhibitors of cMET and RON kinases. Bioorg Med Chem Lett, Volume 23 (15), 2013";ChEMBL
MM471896;MM471896;CC(=O)N1CC=C(c2coc3c(OC(C)c4c(Cl)ccc(F)c4Cl)c(N)ncc23)CC1;JHXOYBYPYLVIMP-LLVKDONJSA-N;464.32;5.63;57812755;;;CHEMBL2401828;GENER;EPAM;25;0;"ph = 7.4, <a href=https://www.ebi.ac.uk/chembl/assay_report_card/CHEMBL2406488/  target=_blank>CHEMBL2406488</a>";;;;;;;;;-3.7;;;;;;;;;;;;"Steinig AG, Li AH, Wang J, Chen X, Dong H, Ferraro C, Jin M, Kadalbajoo M, Kleinberg A, Stolz KM, Tavares-Greco PA, Wang T, Albertella MR, Peng Y, Crew L, Kahler J, Kan J, Schulz R, Cooke A, Bittner M, Turton RW, Franklin M, Gokhale P, Landfair D, Mantis C, Workman J, Wild R, Pachter J, Epstein D, Mulvihill MJ.: Novel 6-aminofuro[3,2-c]pyridines as potent, orally efficacious inhibitors of cMET and RON kinases. Bioorg Med Chem Lett, Volume 23 (15), 2013";ChEMBL
MM471894;MM471894;CC(Oc1c(N)ncc2c(C3=CCN(C(N)=O)CC3)coc12)c1c(Cl)ccc(F)c1Cl;LVYXERPKYAQGKM-SNVBAGLBSA-N;465.31;5.16;44181654;;;CHEMBL2401832;GENER;EPAM;25;0;"ph = 7.4, <a href=https://www.ebi.ac.uk/chembl/assay_report_card/CHEMBL2406488/  target=_blank>CHEMBL2406488</a>";;;;;;;;;-3.44;;;;;;;;;;;;"Steinig AG, Li AH, Wang J, Chen X, Dong H, Ferraro C, Jin M, Kadalbajoo M, Kleinberg A, Stolz KM, Tavares-Greco PA, Wang T, Albertella MR, Peng Y, Crew L, Kahler J, Kan J, Schulz R, Cooke A, Bittner M, Turton RW, Franklin M, Gokhale P, Landfair D, Mantis C, Workman J, Wild R, Pachter J, Epstein D, Mulvihill MJ.: Novel 6-aminofuro[3,2-c]pyridines as potent, orally efficacious inhibitors of cMET and RON kinases. Bioorg Med Chem Lett, Volume 23 (15), 2013";ChEMBL
MM473995;MM473995;Cc1ccc(-c2nc3ccccc3s2)cc1NC(=O)c1cnccc1Cl;URKTVJHBWZWGTM-UHFFFAOYSA-N;379.87;5.57;71712455;;;CHEMBL2401889;GENER;EPAM;25;0;"<a href=https://www.ebi.ac.uk/chembl/assay_report_card/CHEMBL2405174/  target=_blank>CHEMBL2405174</a>";;;;;;;;;-3.1;;;;;;;;;;;;"Hwang JY, Smithson DC, Holbrook G, Zhu F, Connelly MC, Kaiser M, Brun R, Kiplin Guy R.: Optimization of the electrophile of chloronitrobenzamide leads active against Trypanosoma brucei. Bioorg Med Chem Lett, Volume 23 (14), 2013";ChEMBL
MM474009;MM474009;COc1ccc(-c2nc3ccccc3s2)cc1NC(=O)c1cnccc1Cl;ASFFGFJRWLXSKV-UHFFFAOYSA-N;395.87;5.27;71712456;;;CHEMBL2401890;GENER;EPAM;25;0;"<a href=https://www.ebi.ac.uk/chembl/assay_report_card/CHEMBL2405174/  target=_blank>CHEMBL2405174</a>";;;;;;;;;-3.92;;;;;;;;;;;;"Hwang JY, Smithson DC, Holbrook G, Zhu F, Connelly MC, Kaiser M, Brun R, Kiplin Guy R.: Optimization of the electrophile of chloronitrobenzamide leads active against Trypanosoma brucei. Bioorg Med Chem Lett, Volume 23 (14), 2013";ChEMBL
MM474005;MM474005;O=C(Nc1cc(-c2nc3ccccc3s2)ccc1F)c1cnccc1Cl;UNRWXUXAORADNP-UHFFFAOYSA-N;383.84;5.4;71712457;;;CHEMBL2401891;GENER;EPAM;25;0;"<a href=https://www.ebi.ac.uk/chembl/assay_report_card/CHEMBL2405174/  target=_blank>CHEMBL2405174</a>";;;;;;;;;-3.51;;;;;;;;;;;;"Hwang JY, Smithson DC, Holbrook G, Zhu F, Connelly MC, Kaiser M, Brun R, Kiplin Guy R.: Optimization of the electrophile of chloronitrobenzamide leads active against Trypanosoma brucei. Bioorg Med Chem Lett, Volume 23 (14), 2013";ChEMBL
MM474000;MM474000;Cc1ccc(-c2nc3ccccc3o2)cc1NC(=O)c1cnccc1Cl;GJGRLDKXWFIFJV-UHFFFAOYSA-N;363.8;5.1;;;;;GENER;EPAM;25;0;"<a href=https://www.ebi.ac.uk/chembl/assay_report_card/CHEMBL2405174/  target=_blank>CHEMBL2405174</a>";;;;;;;;;-3.19;;;;;;;;;;;;"Hwang JY, Smithson DC, Holbrook G, Zhu F, Connelly MC, Kaiser M, Brun R, Kiplin Guy R.: Optimization of the electrophile of chloronitrobenzamide leads active against Trypanosoma brucei. Bioorg Med Chem Lett, Volume 23 (14), 2013";ChEMBL
MM474004;MM474004;COc1ccc(-c2nc3ccccc3o2)cc1NC(=O)c1cnccc1Cl;IVUJJROKDJKGFB-UHFFFAOYSA-N;379.8;4.8;71712600;;;CHEMBL2401894;GENER;EPAM;25;0;"<a href=https://www.ebi.ac.uk/chembl/assay_report_card/CHEMBL2405174/  target=_blank>CHEMBL2405174</a>";;;;;;;;;-3.41;;;;;;;;;;;;"Hwang JY, Smithson DC, Holbrook G, Zhu F, Connelly MC, Kaiser M, Brun R, Kiplin Guy R.: Optimization of the electrophile of chloronitrobenzamide leads active against Trypanosoma brucei. Bioorg Med Chem Lett, Volume 23 (14), 2013";ChEMBL
MM474007;MM474007;O=C(Nc1cc(-c2nc3ccccc3o2)ccc1F)c1cnccc1Cl;QBZMYHABXDMPGR-UHFFFAOYSA-N;367.77;4.93;71712601;;;CHEMBL2401895;GENER;EPAM;25;0;"<a href=https://www.ebi.ac.uk/chembl/assay_report_card/CHEMBL2405174/  target=_blank>CHEMBL2405174</a>";;;;;;;;;-3.59;;;;;;;;;;;;"Hwang JY, Smithson DC, Holbrook G, Zhu F, Connelly MC, Kaiser M, Brun R, Kiplin Guy R.: Optimization of the electrophile of chloronitrobenzamide leads active against Trypanosoma brucei. Bioorg Med Chem Lett, Volume 23 (14), 2013";ChEMBL
MM474006;MM474006;O=C(Nc1ccc(F)c(-c2nc3ccccc3o2)c1)c1cnccc1Cl;CWDJUFUNGLSJJE-UHFFFAOYSA-N;367.77;4.93;71712602;;;CHEMBL2401896;GENER;EPAM;25;0;"<a href=https://www.ebi.ac.uk/chembl/assay_report_card/CHEMBL2405174/  target=_blank>CHEMBL2405174</a>";;;;;;;;;-3.52;;;;;;;;;;;;"Hwang JY, Smithson DC, Holbrook G, Zhu F, Connelly MC, Kaiser M, Brun R, Kiplin Guy R.: Optimization of the electrophile of chloronitrobenzamide leads active against Trypanosoma brucei. Bioorg Med Chem Lett, Volume 23 (14), 2013";ChEMBL
MM473994;MM473994;C=CC(=O)Nc1cccc(-c2nc3ccccc3s2)c1;FOCYZIXAZWHKST-UHFFFAOYSA-N;280.35;4.09;71714534;;;CHEMBL2401897;GENER;EPAM;25;0;"<a href=https://www.ebi.ac.uk/chembl/assay_report_card/CHEMBL2405174/  target=_blank>CHEMBL2405174</a>";;;;;;;;;-3.1;;;;;;;;;;;;"Hwang JY, Smithson DC, Holbrook G, Zhu F, Connelly MC, Kaiser M, Brun R, Kiplin Guy R.: Optimization of the electrophile of chloronitrobenzamide leads active against Trypanosoma brucei. Bioorg Med Chem Lett, Volume 23 (14), 2013";ChEMBL
MM473991;MM473991;CC=CC(=O)Nc1cccc(-c2nc3ccccc3s2)c1;RLYNKGLWVUQIAM-QHHAFSJGSA-N;294.38;4.48;71714535;;;CHEMBL2401898;GENER;EPAM;25;0;"<a href=https://www.ebi.ac.uk/chembl/assay_report_card/CHEMBL2405174/  target=_blank>CHEMBL2405174</a>";;;;;;;;;-2.78;;;;;;;;;;;;"Hwang JY, Smithson DC, Holbrook G, Zhu F, Connelly MC, Kaiser M, Brun R, Kiplin Guy R.: Optimization of the electrophile of chloronitrobenzamide leads active against Trypanosoma brucei. Bioorg Med Chem Lett, Volume 23 (14), 2013";ChEMBL
MM473992;MM473992;C=C(C)C(=O)Nc1cccc(-c2nc3ccccc3s2)c1;LIFQWIGQWZGUEX-UHFFFAOYSA-N;294.38;4.48;17297295;;;CHEMBL2401899;GENER;EPAM;25;0;"<a href=https://www.ebi.ac.uk/chembl/assay_report_card/CHEMBL2405174/  target=_blank>CHEMBL2405174</a>";;;;;;;;;-3.01;;;;;;;;;;;;"Hwang JY, Smithson DC, Holbrook G, Zhu F, Connelly MC, Kaiser M, Brun R, Kiplin Guy R.: Optimization of the electrophile of chloronitrobenzamide leads active against Trypanosoma brucei. Bioorg Med Chem Lett, Volume 23 (14), 2013";ChEMBL
MM473990;MM473990;CN(C)CCC(=O)Nc1cccc(-c2nc3ccccc3s2)c1;QTGJSUSNSIJBAT-UHFFFAOYSA-N;325.44;3.85;71712317;;;CHEMBL2401901;GENER;EPAM;25;0;"<a href=https://www.ebi.ac.uk/chembl/assay_report_card/CHEMBL2405174/  target=_blank>CHEMBL2405174</a>";;;;;;;;;-2.68;;;;;;;;;;;;"Hwang JY, Smithson DC, Holbrook G, Zhu F, Connelly MC, Kaiser M, Brun R, Kiplin Guy R.: Optimization of the electrophile of chloronitrobenzamide leads active against Trypanosoma brucei. Bioorg Med Chem Lett, Volume 23 (14), 2013";ChEMBL
MM473999;MM473999;O=C(CCl)Nc1cccc(-c2nc3ccccc3s2)c1;IKKWOYOCXJIEKT-UHFFFAOYSA-N;302.79;4.14;17078686;;;CHEMBL2401902;GENER;EPAM;25;0;"<a href=https://www.ebi.ac.uk/chembl/assay_report_card/CHEMBL2405174/  target=_blank>CHEMBL2405174</a>";;;;;;;;;-3.18;;;;;;;;;;;;"Hwang JY, Smithson DC, Holbrook G, Zhu F, Connelly MC, Kaiser M, Brun R, Kiplin Guy R.: Optimization of the electrophile of chloronitrobenzamide leads active against Trypanosoma brucei. Bioorg Med Chem Lett, Volume 23 (14), 2013";ChEMBL
MM473996;MM473996;CC(Cl)C(=O)Nc1cccc(-c2nc3ccccc3s2)c1;HIHYFMPTWYSBAC-UHFFFAOYSA-N;316.81;4.53;;;;;GENER;EPAM;25;0;"<a href=https://www.ebi.ac.uk/chembl/assay_report_card/CHEMBL2405174/  target=_blank>CHEMBL2405174</a>";;;;;;;;;-3.11;;;;;;;;;;;;"Hwang JY, Smithson DC, Holbrook G, Zhu F, Connelly MC, Kaiser M, Brun R, Kiplin Guy R.: Optimization of the electrophile of chloronitrobenzamide leads active against Trypanosoma brucei. Bioorg Med Chem Lett, Volume 23 (14), 2013";ChEMBL
MM473993;MM473993;CC(C)(CCl)C(=O)Nc1cccc(-c2nc3ccccc3s2)c1;YBNVQKZJZOGCRE-UHFFFAOYSA-N;344.87;5.17;71712319;;;CHEMBL2401904;GENER;EPAM;25;0;"<a href=https://www.ebi.ac.uk/chembl/assay_report_card/CHEMBL2405174/  target=_blank>CHEMBL2405174</a>";;;;;;;;;-3.05;;;;;;;;;;;;"Hwang JY, Smithson DC, Holbrook G, Zhu F, Connelly MC, Kaiser M, Brun R, Kiplin Guy R.: Optimization of the electrophile of chloronitrobenzamide leads active against Trypanosoma brucei. Bioorg Med Chem Lett, Volume 23 (14), 2013";ChEMBL
MM473997;MM473997;O=C(Nc1cccc(-c2nc3ccccc3s2)c1)c1cnccc1Cl;NCXWAHCXIPNKIU-UHFFFAOYSA-N;365.85;5.26;71712320;;;CHEMBL2401905;GENER;EPAM;25;0;"<a href=https://www.ebi.ac.uk/chembl/assay_report_card/CHEMBL2405174/  target=_blank>CHEMBL2405174</a>";;;;;;;;;-3.14;;;;;;;;;;;;"Hwang JY, Smithson DC, Holbrook G, Zhu F, Connelly MC, Kaiser M, Brun R, Kiplin Guy R.: Optimization of the electrophile of chloronitrobenzamide leads active against Trypanosoma brucei. Bioorg Med Chem Lett, Volume 23 (14), 2013";ChEMBL
MM473998;MM473998;O=C(Nc1cccc(-c2nc3ccccc3s2)c1)c1cccnc1Cl;RVBRBPXTTKBUAD-UHFFFAOYSA-N;365.85;5.26;1086004;;;CHEMBL2401906;GENER;EPAM;25;0;"<a href=https://www.ebi.ac.uk/chembl/assay_report_card/CHEMBL2405174/  target=_blank>CHEMBL2405174</a>";;;;;;;;;-3.17;;;;;;;;;;;;"Hwang JY, Smithson DC, Holbrook G, Zhu F, Connelly MC, Kaiser M, Brun R, Kiplin Guy R.: Optimization of the electrophile of chloronitrobenzamide leads active against Trypanosoma brucei. Bioorg Med Chem Lett, Volume 23 (14), 2013";ChEMBL
MM474003;MM474003;O=C(Nc1cccc(-c2nc3ccccc3s2)c1)c1ccnc(Cl)c1;MIPMQEAPFPCULK-UHFFFAOYSA-N;365.85;5.26;46527388;;;CHEMBL2401908;GENER;EPAM;25;0;"<a href=https://www.ebi.ac.uk/chembl/assay_report_card/CHEMBL2405174/  target=_blank>CHEMBL2405174</a>";;;;;;;;;-3.32;;;;;;;;;;;;"Hwang JY, Smithson DC, Holbrook G, Zhu F, Connelly MC, Kaiser M, Brun R, Kiplin Guy R.: Optimization of the electrophile of chloronitrobenzamide leads active against Trypanosoma brucei. Bioorg Med Chem Lett, Volume 23 (14), 2013";ChEMBL
MM474001;MM474001;O=C(Nc1cccc(-c2nc3ccccc3s2)c1)c1ccncc1Cl;PJJHVUDEEHFXKO-UHFFFAOYSA-N;365.85;5.26;71712452;;;CHEMBL2401909;GENER;EPAM;25;0;"<a href=https://www.ebi.ac.uk/chembl/assay_report_card/CHEMBL2405174/  target=_blank>CHEMBL2405174</a>";;;;;;;;;-3.25;;;;;;;;;;;;"Hwang JY, Smithson DC, Holbrook G, Zhu F, Connelly MC, Kaiser M, Brun R, Kiplin Guy R.: Optimization of the electrophile of chloronitrobenzamide leads active against Trypanosoma brucei. Bioorg Med Chem Lett, Volume 23 (14), 2013";ChEMBL
MM474008;MM474008;O=C(Nc1cccc(-c2nc3ccccc3s2)c1)c1cnc(Cl)s1;BMEKANQMCVMOHD-UHFFFAOYSA-N;371.87;5.33;71712454;;;CHEMBL2401911;GENER;EPAM;25;0;"<a href=https://www.ebi.ac.uk/chembl/assay_report_card/CHEMBL2405174/  target=_blank>CHEMBL2405174</a>";;;;;;;;;-3.88;;;;;;;;;;;;"Hwang JY, Smithson DC, Holbrook G, Zhu F, Connelly MC, Kaiser M, Brun R, Kiplin Guy R.: Optimization of the electrophile of chloronitrobenzamide leads active against Trypanosoma brucei. Bioorg Med Chem Lett, Volume 23 (14), 2013";ChEMBL
MM473833;MM473833;"CC1=C2CC(C)(C)/C=C/C(=O)/C(C)=C\C3=C[C@H](C)C[C@]3(O2)C1=O";MJNNONLDVCCGCA-ZQHAHMAHSA-N;312.41;4.07;;;;;GENER;EPAM;25;0;"<a href=https://www.ebi.ac.uk/chembl/assay_report_card/CHEMBL2404840/  target=_blank>CHEMBL2404840</a>";;;;;;;;;-3.28;;;;;;;;;;;;"Hadi V, Hotard M, Ling T, Salinas YG, Palacios G, Connelly M, Rivas F.: Evaluation of Jatropha isabelli natural products and their synthetic analogs as potential antimalarial therapeutic agents. Eur J Med Chem, Volume 65, 2013";ChEMBL
MM473832;MM473832;"CC1=C2CC(C)(C)/C(c3ccc(C(F)(F)F)cc3)=C/C(=O)/C(C)=C\C3=C[C@H](C)C[C@]3(O2)C1=O";HOTXTAPRMCVGAU-NWBFCAHESA-N;456.5;6.61;;;;;GENER;EPAM;25;0;"<a href=https://www.ebi.ac.uk/chembl/assay_report_card/CHEMBL2404840/  target=_blank>CHEMBL2404840</a>";;;;;;;;;-3.97;;;;;;;;;;;;"Hadi V, Hotard M, Ling T, Salinas YG, Palacios G, Connelly M, Rivas F.: Evaluation of Jatropha isabelli natural products and their synthetic analogs as potential antimalarial therapeutic agents. Eur J Med Chem, Volume 65, 2013";ChEMBL
MM472119;MM472119;C=CC1CC1(NC(=O)C1CC(Oc2nccc3cc(OC)ccc23)CN1C(=O)C(NC(=O)OC(C)(C)C)C(C)(C)C)C(=O)NS(=O)(=O)C1CC1;;713.85;3.2;46862685;;;CHEMBL2403888;GENER;EPAM;25;0;"ph = 5.5, <a href=https://www.ebi.ac.uk/chembl/assay_report_card/CHEMBL4001455/  target=_blank>CHEMBL4001455</a>";;;;;;;;;-4.24;;;;;;;;;;;;"Wang AX, Chen J, Zhao Q, Sun LQ, Friborg J, Yu F, Hernandez D, Good AC, Klei HE, Rajamani R, Mosure K, Knipe JO, Li D, Zhu J, Levesque PC, McPhee F, Meanwell NA, Scola PM.: Structure-activity relationships of 4-hydroxy-4-biaryl-proline acylsulfonamide tripeptides: A series of potent NS3 protease inhibitors for the treatment of hepatitis C virus. Bioorg Med Chem Lett, Volume 27 (3), 2017";ChEMBL
MM472119;MM472119;C=CC1CC1(NC(=O)C1CC(Oc2nccc3cc(OC)ccc23)CN1C(=O)C(NC(=O)OC(C)(C)C)C(C)(C)C)C(=O)NS(=O)(=O)C1CC1;;713.85;3.2;46862685;;;CHEMBL2403888;GENER;EPAM;25;0;"ph = 7.4, <a href=https://www.ebi.ac.uk/chembl/assay_report_card/CHEMBL4001456/  target=_blank>CHEMBL4001456</a>";;;;;;;;;-4.75;;;;;;;;;;;;"Wang AX, Chen J, Zhao Q, Sun LQ, Friborg J, Yu F, Hernandez D, Good AC, Klei HE, Rajamani R, Mosure K, Knipe JO, Li D, Zhu J, Levesque PC, McPhee F, Meanwell NA, Scola PM.: Structure-activity relationships of 4-hydroxy-4-biaryl-proline acylsulfonamide tripeptides: A series of potent NS3 protease inhibitors for the treatment of hepatitis C virus. Bioorg Med Chem Lett, Volume 27 (3), 2017";ChEMBL
MM474011;MM474011;CSc1nc(N(C(=O)OCCN2CCN(C)CC2)c2cccc(Br)c2)c2cnn(CC(C)c3ccccc3)c2n1;;624.61;5.64;71762922;;;CHEMBL2407628;GENER;EPAM;25;0;"<a href=https://www.ebi.ac.uk/chembl/assay_report_card/CHEMBL4013498/  target=_blank>CHEMBL4013498</a>";;;;;;;;;-5.68;;;;;;;;;;;;"Vignaroli G, Iovenitti G, Zamperini C, Coniglio F, Calandro P, Molinari A, Fallacara AL, Sartucci A, Calgani A, Colecchia D, Mancini A, Festuccia C, Dreassi E, Valoti M, Musumeci F, Chiariello M, Angelucci A, Botta M, Schenone S.: Prodrugs of Pyrazolo[3,4-d]pyrimidines: From Library Synthesis to Evaluation as Potential Anticancer Agents in an Orthotopic Glioblastoma Model. J Med Chem, Volume 60 (14), 2017";ChEMBL
MM474011;MM474011;CSc1nc(N(C(=O)OCCN2CCN(C)CC2)c2cccc(Br)c2)c2cnn(CC(C)c3ccccc3)c2n1;;624.61;5.64;71762922;;;CHEMBL2407628;GENER;EPAM;25;0;"<a href=https://www.ebi.ac.uk/chembl/assay_report_card/CHEMBL2411066/  target=_blank>CHEMBL2411066</a>";;;;;;;;;-5.68;;;;;;;;;;;;"Vignaroli G, Zamperini C, Dreassi E, Radi M, Angelucci A, Sanità P, Crespan E, Kissova M, Maga G, Schenone S, Musumeci F, Botta M.: Pyrazolo[3,4-d]pyrimidine Prodrugs: Strategic Optimization of the Aqueous Solubility of Dual Src/Abl Inhibitors. ACS Med Chem Lett, Volume 4 (7), 2013";ChEMBL
MM474438;MM474438;Nc1ccccc1NC(=O)c1ccc(CN=C2NC(c3ccccc3)CS2)cc1;SMTXKVURUPJKNQ-OAQYLSRUSA-N;402.52;4.45;136239447;;;CHEMBL2407717;GENER;EPAM;25;0;"<a href=https://www.ebi.ac.uk/chembl/assay_report_card/CHEMBL2410090/  target=_blank>CHEMBL2410090</a>";;;;;;;;;-4.29;;;;;;;;;;;;"Marson CM, Matthews CJ, Yiannaki E, Atkinson SJ, Soden PE, Shukla L, Lamadema N, Thomas NS.: Discovery of potent, isoform-selective inhibitors of histone deacetylase containing chiral heterocyclic capping groups and a N-(2-aminophenyl)benzamide binding unit. J Med Chem, Volume 56 (15), 2013";ChEMBL
MM471904;MM471904;O=C(O)c1ccc(C=CC2=c3ccc(=Cc4c(O)[nH]c5ccccc45)cc3N=N2)cc1;FOMWYZMFUGYYLZ-ADFPNGHDSA-N;407.43;4.92;135988944;;;CHEMBL2407744;GENER;EPAM;25;0;"ph = 7.4, <a href=https://www.ebi.ac.uk/chembl/assay_report_card/CHEMBL2410116/  target=_blank>CHEMBL2410116</a>";;;;;;;;;-5.68;;;;;;;;;;;;"Laufer R, Forrest B, Li SW, Liu Y, Sampson P, Edwards L, Lang Y, Awrey DE, Mao G, Plotnikova O, Leung G, Hodgson R, Beletskaya I, Mason JM, Luo X, Wei X, Yao Y, Feher M, Ban F, Kiarash R, Green E, Mak TW, Pan G, Pauls HW.: The discovery of PLK4 inhibitors: (E)-3-((1H-Indazol-6-yl)methylene)indolin-2-ones as novel antiproliferative agents. J Med Chem, Volume 56 (15), 2013";ChEMBL
MM471909;MM471909;Oc1[nH]c2ccccc2c1C=c1ccc2c(c1)N=NC=2C=Cc1ccncc1;CZFUYZPXZGGWKC-SRQUHQSVSA-N;364.41;4.62;135932346;;;CHEMBL2407749;GENER;EPAM;25;0;"ph = 7.4, <a href=https://www.ebi.ac.uk/chembl/assay_report_card/CHEMBL2410116/  target=_blank>CHEMBL2410116</a>";;;;;;;;;-3.71;;;;;;;;;;;;"Laufer R, Forrest B, Li SW, Liu Y, Sampson P, Edwards L, Lang Y, Awrey DE, Mao G, Plotnikova O, Leung G, Hodgson R, Beletskaya I, Mason JM, Luo X, Wei X, Yao Y, Feher M, Ban F, Kiarash R, Green E, Mak TW, Pan G, Pauls HW.: The discovery of PLK4 inhibitors: (E)-3-((1H-Indazol-6-yl)methylene)indolin-2-ones as novel antiproliferative agents. J Med Chem, Volume 56 (15), 2013";ChEMBL
MM471908;MM471908;Oc1ccc2[nH]c(O)c(C=c3ccc4c(c3)N=NC=4C=Cc3ccncc3)c2c1;YKIVNICLNFURQO-NHSDSWEZSA-N;380.41;4.33;135988947;;;CHEMBL2407895;GENER;EPAM;25;0;"ph = 7.4, <a href=https://www.ebi.ac.uk/chembl/assay_report_card/CHEMBL2410116/  target=_blank>CHEMBL2410116</a>";;;;;;;;;-5.4;;;;;;;;;;;;"Laufer R, Forrest B, Li SW, Liu Y, Sampson P, Edwards L, Lang Y, Awrey DE, Mao G, Plotnikova O, Leung G, Hodgson R, Beletskaya I, Mason JM, Luo X, Wei X, Yao Y, Feher M, Ban F, Kiarash R, Green E, Mak TW, Pan G, Pauls HW.: The discovery of PLK4 inhibitors: (E)-3-((1H-Indazol-6-yl)methylene)indolin-2-ones as novel antiproliferative agents. J Med Chem, Volume 56 (15), 2013";ChEMBL
MM471907;MM471907;CN(C)Cc1ccc(C=CC2=c3ccc(=Cc4c(O)[nH]c5ccccc45)cc3N=N2)cc1;HCLJFCCORISDCX-NLUXTTPZSA-N;420.52;5.29;135988997;;;CHEMBL2407897;GENER;EPAM;25;0;"ph = 7.4, <a href=https://www.ebi.ac.uk/chembl/assay_report_card/CHEMBL2410116/  target=_blank>CHEMBL2410116</a>";;;;;;;;;-3.56;;;;;;;;;;;;"Laufer R, Forrest B, Li SW, Liu Y, Sampson P, Edwards L, Lang Y, Awrey DE, Mao G, Plotnikova O, Leung G, Hodgson R, Beletskaya I, Mason JM, Luo X, Wei X, Yao Y, Feher M, Ban F, Kiarash R, Green E, Mak TW, Pan G, Pauls HW.: The discovery of PLK4 inhibitors: (E)-3-((1H-Indazol-6-yl)methylene)indolin-2-ones as novel antiproliferative agents. J Med Chem, Volume 56 (15), 2013";ChEMBL
MM471906;MM471906;CN1CCN(c2ccc(C=CC3=c4ccc(=Cc5c(O)[nH]c6ccccc56)cc4N=N3)cn2)CC1;FQWPBCFJZAKNEQ-CBVNATGFSA-N;462.56;4.37;135988927;;;CHEMBL2407899;GENER;EPAM;25;0;"ph = 7.4, <a href=https://www.ebi.ac.uk/chembl/assay_report_card/CHEMBL2410116/  target=_blank>CHEMBL2410116</a>";;;;;;;;;-3.47;;;;;;;;;;;;"Laufer R, Forrest B, Li SW, Liu Y, Sampson P, Edwards L, Lang Y, Awrey DE, Mao G, Plotnikova O, Leung G, Hodgson R, Beletskaya I, Mason JM, Luo X, Wei X, Yao Y, Feher M, Ban F, Kiarash R, Green E, Mak TW, Pan G, Pauls HW.: The discovery of PLK4 inhibitors: (E)-3-((1H-Indazol-6-yl)methylene)indolin-2-ones as novel antiproliferative agents. J Med Chem, Volume 56 (15), 2013";ChEMBL
MM471905;MM471905;COc1ccc2[nH]c(O)c(C=c3ccc4c(c3)N=NC=4C=Cc3ccc(N4CCN(C)CC4)nc3)c2c1;GBUDRABUNBYJKG-WWAWLHJKSA-N;492.58;4.38;135985508;;;CHEMBL2407900;GENER;EPAM;25;0;"ph = 7.4, <a href=https://www.ebi.ac.uk/chembl/assay_report_card/CHEMBL2410116/  target=_blank>CHEMBL2410116</a>";;;;;;;;;-3.79;;;;;;;;;;;;"Laufer R, Forrest B, Li SW, Liu Y, Sampson P, Edwards L, Lang Y, Awrey DE, Mao G, Plotnikova O, Leung G, Hodgson R, Beletskaya I, Mason JM, Luo X, Wei X, Yao Y, Feher M, Ban F, Kiarash R, Green E, Mak TW, Pan G, Pauls HW.: The discovery of PLK4 inhibitors: (E)-3-((1H-Indazol-6-yl)methylene)indolin-2-ones as novel antiproliferative agents. J Med Chem, Volume 56 (15), 2013";ChEMBL
MM474437;MM474437;Cc1ccc(-c2ccc(-n3c(Cl)cc4[nH]c(=O)c(C#N)c(O)c43)cc2)cc1;CZDSKZBGMJONHZ-UHFFFAOYSA-N;375.82;4.52;67052881;;;CHEMBL2408232;GENER;EPAM;25;0;"<a href=https://www.ebi.ac.uk/chembl/assay_report_card/CHEMBL2410001/  target=_blank>CHEMBL2410001</a>";;;;;;;;;-6.32;;;;;;;;;;;;"Mirguet O, Sautet S, Clément CA, Toum J, Donche F, Marques C, Rondet E, Pizzonero M, Beaufils B, Dudit Y, Huet P, Trottet L, Grondin P, Brusq JM, Boursier E, Saintillan Y, Nicodeme E.: Discovery of Pyridones As Oral AMPK Direct Activators. ACS Med Chem Lett, Volume 4 (7), 2013";ChEMBL
MM474436;MM474436;CCc1ccc(-n2c(Cl)cc3[nH]c(=O)c(-c4ccccc4)c(O)c32)cc1;CNKANSZIAKIZPN-UHFFFAOYSA-N;364.83;4.91;54727513;;;CHEMBL2408234;GENER;EPAM;25;0;"<a href=https://www.ebi.ac.uk/chembl/assay_report_card/CHEMBL2410001/  target=_blank>CHEMBL2410001</a>";;;;;;;;;-4.82;;;;;;;;;;;;"Mirguet O, Sautet S, Clément CA, Toum J, Donche F, Marques C, Rondet E, Pizzonero M, Beaufils B, Dudit Y, Huet P, Trottet L, Grondin P, Brusq JM, Boursier E, Saintillan Y, Nicodeme E.: Discovery of Pyridones As Oral AMPK Direct Activators. ACS Med Chem Lett, Volume 4 (7), 2013";ChEMBL
MM474435;MM474435;COc1cccc(-c2ccc(-n3c(Cl)cc4[nH]c(=O)c(-c5ccccc5)c(O)c43)cc2)c1O;ZYDQKSGHSBJFMP-UHFFFAOYSA-N;458.9;5.73;54727473;;;CHEMBL2408235;GENER;EPAM;25;0;"<a href=https://www.ebi.ac.uk/chembl/assay_report_card/CHEMBL2410001/  target=_blank>CHEMBL2410001</a>";;;;;;;;;-4.96;;;;;;;;;;;;"Mirguet O, Sautet S, Clément CA, Toum J, Donche F, Marques C, Rondet E, Pizzonero M, Beaufils B, Dudit Y, Huet P, Trottet L, Grondin P, Brusq JM, Boursier E, Saintillan Y, Nicodeme E.: Discovery of Pyridones As Oral AMPK Direct Activators. ACS Med Chem Lett, Volume 4 (7), 2013";ChEMBL
MM471899;MM471899;CCOCc1c(C(=O)NCc2cncn2C)cnn1-c1ncc(C)c(N2CCCCC2)n1;;438.54;2.16;60207864;;;CHEMBL2409007;GENER;EPAM;25;0;"ph = 5, <a href=https://www.ebi.ac.uk/chembl/assay_report_card/CHEMBL2410791/  target=_blank>CHEMBL2410791</a>";;;;;;;;;-5.82;;;;;;;;;;;;"Toda N, Hao X, Ogawa Y, Oda K, Yu M, Fu Z, Chen Y, Kim Y, Lizarzaburu M, Lively S, Lawlis S, Murakoshi M, Nara F, Watanabe N, Reagan JD, Tian H, Fu A, Motani A, Liu Q, Lin YJ, Zhuang R, Xiong Y, Fan P, Medina J, Li L, Izumi M, Okuyama R, Shibuya S.: Potent and Orally Bioavailable GPR142 Agonists as Novel Insulin Secretagogues for the Treatment of Type 2 Diabetes. ACS Med Chem Lett, Volume 4 (8), 2013";ChEMBL
MM471899;MM471899;CCOCc1c(C(=O)NCc2cncn2C)cnn1-c1ncc(C)c(N2CCCCC2)n1;;438.54;2.16;60207864;;;CHEMBL2409007;GENER;EPAM;25;0;"ph = 7.4, <a href=https://www.ebi.ac.uk/chembl/assay_report_card/CHEMBL2410792/  target=_blank>CHEMBL2410792</a>";;;;;;;;;-5.46;;;;;;;;;;;;"Toda N, Hao X, Ogawa Y, Oda K, Yu M, Fu Z, Chen Y, Kim Y, Lizarzaburu M, Lively S, Lawlis S, Murakoshi M, Nara F, Watanabe N, Reagan JD, Tian H, Fu A, Motani A, Liu Q, Lin YJ, Zhuang R, Xiong Y, Fan P, Medina J, Li L, Izumi M, Okuyama R, Shibuya S.: Potent and Orally Bioavailable GPR142 Agonists as Novel Insulin Secretagogues for the Treatment of Type 2 Diabetes. ACS Med Chem Lett, Volume 4 (8), 2013";ChEMBL
MM471897;MM471897;CCCCc1c(C(=O)NCc2cncn2C)cnn1-c1ncc(C)c(-c2cccs2)n1;;435.56;3.71;72165163;;;CHEMBL2409009;GENER;EPAM;25;0;"ph = 5, <a href=https://www.ebi.ac.uk/chembl/assay_report_card/CHEMBL2410791/  target=_blank>CHEMBL2410791</a>";;;;;;;;;-5.44;;;;;;;;;;;;"Toda N, Hao X, Ogawa Y, Oda K, Yu M, Fu Z, Chen Y, Kim Y, Lizarzaburu M, Lively S, Lawlis S, Murakoshi M, Nara F, Watanabe N, Reagan JD, Tian H, Fu A, Motani A, Liu Q, Lin YJ, Zhuang R, Xiong Y, Fan P, Medina J, Li L, Izumi M, Okuyama R, Shibuya S.: Potent and Orally Bioavailable GPR142 Agonists as Novel Insulin Secretagogues for the Treatment of Type 2 Diabetes. ACS Med Chem Lett, Volume 4 (8), 2013";ChEMBL
MM471897;MM471897;CCCCc1c(C(=O)NCc2cncn2C)cnn1-c1ncc(C)c(-c2cccs2)n1;;435.56;3.71;72165163;;;CHEMBL2409009;GENER;EPAM;25;0;"ph = 7.4, <a href=https://www.ebi.ac.uk/chembl/assay_report_card/CHEMBL2410792/  target=_blank>CHEMBL2410792</a>";;;;;;;;;-5.1;;;;;;;;;;;;"Toda N, Hao X, Ogawa Y, Oda K, Yu M, Fu Z, Chen Y, Kim Y, Lizarzaburu M, Lively S, Lawlis S, Murakoshi M, Nara F, Watanabe N, Reagan JD, Tian H, Fu A, Motani A, Liu Q, Lin YJ, Zhuang R, Xiong Y, Fan P, Medina J, Li L, Izumi M, Okuyama R, Shibuya S.: Potent and Orally Bioavailable GPR142 Agonists as Novel Insulin Secretagogues for the Treatment of Type 2 Diabetes. ACS Med Chem Lett, Volume 4 (8), 2013";ChEMBL
MM471898;MM471898;CCOCc1c(C(=O)NCc2cncn2C)cnn1-c1ncc(C)c(-c2cccs2)n1;;437.53;2.9;67390737;;;CHEMBL2409019;GENER;EPAM;25;0;"ph = 5, <a href=https://www.ebi.ac.uk/chembl/assay_report_card/CHEMBL2410791/  target=_blank>CHEMBL2410791</a>";;;;;;;;;-5.7;;;;;;;;;;;;"Toda N, Hao X, Ogawa Y, Oda K, Yu M, Fu Z, Chen Y, Kim Y, Lizarzaburu M, Lively S, Lawlis S, Murakoshi M, Nara F, Watanabe N, Reagan JD, Tian H, Fu A, Motani A, Liu Q, Lin YJ, Zhuang R, Xiong Y, Fan P, Medina J, Li L, Izumi M, Okuyama R, Shibuya S.: Potent and Orally Bioavailable GPR142 Agonists as Novel Insulin Secretagogues for the Treatment of Type 2 Diabetes. ACS Med Chem Lett, Volume 4 (8), 2013";ChEMBL
MM471898;MM471898;CCOCc1c(C(=O)NCc2cncn2C)cnn1-c1ncc(C)c(-c2cccs2)n1;;437.53;2.9;67390737;;;CHEMBL2409019;GENER;EPAM;25;0;"ph = 7.4, <a href=https://www.ebi.ac.uk/chembl/assay_report_card/CHEMBL2410792/  target=_blank>CHEMBL2410792</a>";;;;;;;;;-5.4;;;;;;;;;;;;"Toda N, Hao X, Ogawa Y, Oda K, Yu M, Fu Z, Chen Y, Kim Y, Lizarzaburu M, Lively S, Lawlis S, Murakoshi M, Nara F, Watanabe N, Reagan JD, Tian H, Fu A, Motani A, Liu Q, Lin YJ, Zhuang R, Xiong Y, Fan P, Medina J, Li L, Izumi M, Okuyama R, Shibuya S.: Potent and Orally Bioavailable GPR142 Agonists as Novel Insulin Secretagogues for the Treatment of Type 2 Diabetes. ACS Med Chem Lett, Volume 4 (8), 2013";ChEMBL
MM471901;MM471901;CCOCc1c(C(=O)NCc2cncn2C)cnn1-c1ncc(C)c(OCC)n1;;399.46;1.57;72163268;;;CHEMBL2409020;GENER;EPAM;25;0;"ph = 5, <a href=https://www.ebi.ac.uk/chembl/assay_report_card/CHEMBL2410791/  target=_blank>CHEMBL2410791</a>";;;;;;;;;-5.92;;;;;;;;;;;;"Toda N, Hao X, Ogawa Y, Oda K, Yu M, Fu Z, Chen Y, Kim Y, Lizarzaburu M, Lively S, Lawlis S, Murakoshi M, Nara F, Watanabe N, Reagan JD, Tian H, Fu A, Motani A, Liu Q, Lin YJ, Zhuang R, Xiong Y, Fan P, Medina J, Li L, Izumi M, Okuyama R, Shibuya S.: Potent and Orally Bioavailable GPR142 Agonists as Novel Insulin Secretagogues for the Treatment of Type 2 Diabetes. ACS Med Chem Lett, Volume 4 (8), 2013";ChEMBL
MM471901;MM471901;CCOCc1c(C(=O)NCc2cncn2C)cnn1-c1ncc(C)c(OCC)n1;;399.46;1.57;72163268;;;CHEMBL2409020;GENER;EPAM;25;0;"ph = 7.4, <a href=https://www.ebi.ac.uk/chembl/assay_report_card/CHEMBL2410792/  target=_blank>CHEMBL2410792</a>";;;;;;;;;-5.54;;;;;;;;;;;;"Toda N, Hao X, Ogawa Y, Oda K, Yu M, Fu Z, Chen Y, Kim Y, Lizarzaburu M, Lively S, Lawlis S, Murakoshi M, Nara F, Watanabe N, Reagan JD, Tian H, Fu A, Motani A, Liu Q, Lin YJ, Zhuang R, Xiong Y, Fan P, Medina J, Li L, Izumi M, Okuyama R, Shibuya S.: Potent and Orally Bioavailable GPR142 Agonists as Novel Insulin Secretagogues for the Treatment of Type 2 Diabetes. ACS Med Chem Lett, Volume 4 (8), 2013";ChEMBL
MM471903;MM471903;CCOCc1c(C(=O)NCc2cncn2C)cnn1-c1ncc(C)c(NC2CCC2)n1;;424.51;2.14;72163406;;;CHEMBL2409021;GENER;EPAM;25;0;"ph = 5, <a href=https://www.ebi.ac.uk/chembl/assay_report_card/CHEMBL2410791/  target=_blank>CHEMBL2410791</a>";;;;;;;;;-6.7;;;;;;;;;;;;"Toda N, Hao X, Ogawa Y, Oda K, Yu M, Fu Z, Chen Y, Kim Y, Lizarzaburu M, Lively S, Lawlis S, Murakoshi M, Nara F, Watanabe N, Reagan JD, Tian H, Fu A, Motani A, Liu Q, Lin YJ, Zhuang R, Xiong Y, Fan P, Medina J, Li L, Izumi M, Okuyama R, Shibuya S.: Potent and Orally Bioavailable GPR142 Agonists as Novel Insulin Secretagogues for the Treatment of Type 2 Diabetes. ACS Med Chem Lett, Volume 4 (8), 2013";ChEMBL
MM471903;MM471903;CCOCc1c(C(=O)NCc2cncn2C)cnn1-c1ncc(C)c(NC2CCC2)n1;;424.51;2.14;72163406;;;CHEMBL2409021;GENER;EPAM;25;0;"ph = 7.4, <a href=https://www.ebi.ac.uk/chembl/assay_report_card/CHEMBL2410792/  target=_blank>CHEMBL2410792</a>";;;;;;;;;-5.8;;;;;;;;;;;;"Toda N, Hao X, Ogawa Y, Oda K, Yu M, Fu Z, Chen Y, Kim Y, Lizarzaburu M, Lively S, Lawlis S, Murakoshi M, Nara F, Watanabe N, Reagan JD, Tian H, Fu A, Motani A, Liu Q, Lin YJ, Zhuang R, Xiong Y, Fan P, Medina J, Li L, Izumi M, Okuyama R, Shibuya S.: Potent and Orally Bioavailable GPR142 Agonists as Novel Insulin Secretagogues for the Treatment of Type 2 Diabetes. ACS Med Chem Lett, Volume 4 (8), 2013";ChEMBL
MM471902;MM471902;CCOCc1c(C(=O)NCc2cncn2C)cnn1-c1ncc(C)c(N2CCC2)n1;;410.48;1.38;72163407;;;CHEMBL2409022;GENER;EPAM;25;0;"ph = 5, <a href=https://www.ebi.ac.uk/chembl/assay_report_card/CHEMBL2410791/  target=_blank>CHEMBL2410791</a>";;;;;;;;;-6.7;;;;;;;;;;;;"Toda N, Hao X, Ogawa Y, Oda K, Yu M, Fu Z, Chen Y, Kim Y, Lizarzaburu M, Lively S, Lawlis S, Murakoshi M, Nara F, Watanabe N, Reagan JD, Tian H, Fu A, Motani A, Liu Q, Lin YJ, Zhuang R, Xiong Y, Fan P, Medina J, Li L, Izumi M, Okuyama R, Shibuya S.: Potent and Orally Bioavailable GPR142 Agonists as Novel Insulin Secretagogues for the Treatment of Type 2 Diabetes. ACS Med Chem Lett, Volume 4 (8), 2013";ChEMBL
MM471902;MM471902;CCOCc1c(C(=O)NCc2cncn2C)cnn1-c1ncc(C)c(N2CCC2)n1;;410.48;1.38;72163407;;;CHEMBL2409022;GENER;EPAM;25;0;"ph = 7.4, <a href=https://www.ebi.ac.uk/chembl/assay_report_card/CHEMBL2410792/  target=_blank>CHEMBL2410792</a>";;;;;;;;;-5.8;;;;;;;;;;;;"Toda N, Hao X, Ogawa Y, Oda K, Yu M, Fu Z, Chen Y, Kim Y, Lizarzaburu M, Lively S, Lawlis S, Murakoshi M, Nara F, Watanabe N, Reagan JD, Tian H, Fu A, Motani A, Liu Q, Lin YJ, Zhuang R, Xiong Y, Fan P, Medina J, Li L, Izumi M, Okuyama R, Shibuya S.: Potent and Orally Bioavailable GPR142 Agonists as Novel Insulin Secretagogues for the Treatment of Type 2 Diabetes. ACS Med Chem Lett, Volume 4 (8), 2013";ChEMBL
MM471900;MM471900;CCOCc1c(C(=O)NCc2cncn2C)cnn1-c1ncc(C)c(N2CCCC2)n1;;424.51;1.77;67389603;;;CHEMBL2409023;GENER;EPAM;25;0;"ph = 5, <a href=https://www.ebi.ac.uk/chembl/assay_report_card/CHEMBL2410791/  target=_blank>CHEMBL2410791</a>";;;;;;;;;-6.1;;;;;;;;;;;;"Toda N, Hao X, Ogawa Y, Oda K, Yu M, Fu Z, Chen Y, Kim Y, Lizarzaburu M, Lively S, Lawlis S, Murakoshi M, Nara F, Watanabe N, Reagan JD, Tian H, Fu A, Motani A, Liu Q, Lin YJ, Zhuang R, Xiong Y, Fan P, Medina J, Li L, Izumi M, Okuyama R, Shibuya S.: Potent and Orally Bioavailable GPR142 Agonists as Novel Insulin Secretagogues for the Treatment of Type 2 Diabetes. ACS Med Chem Lett, Volume 4 (8), 2013";ChEMBL
MM471900;MM471900;CCOCc1c(C(=O)NCc2cncn2C)cnn1-c1ncc(C)c(N2CCCC2)n1;;424.51;1.77;67389603;;;CHEMBL2409023;GENER;EPAM;25;0;"ph = 7.4, <a href=https://www.ebi.ac.uk/chembl/assay_report_card/CHEMBL2410792/  target=_blank>CHEMBL2410792</a>";;;;;;;;;-5.51;;;;;;;;;;;;"Toda N, Hao X, Ogawa Y, Oda K, Yu M, Fu Z, Chen Y, Kim Y, Lizarzaburu M, Lively S, Lawlis S, Murakoshi M, Nara F, Watanabe N, Reagan JD, Tian H, Fu A, Motani A, Liu Q, Lin YJ, Zhuang R, Xiong Y, Fan P, Medina J, Li L, Izumi M, Okuyama R, Shibuya S.: Potent and Orally Bioavailable GPR142 Agonists as Novel Insulin Secretagogues for the Treatment of Type 2 Diabetes. ACS Med Chem Lett, Volume 4 (8), 2013";ChEMBL
MM472024;MM472024;CN(C)CCN(Cc1ccc(Cl)c(Cl)c1)C(=O)c1cc2scc(Br)c2n1-c1ccc(F)cc1;LLZQBQNEWUCTIB-UHFFFAOYSA-N;569.33;7.1;71769813;;;CHEMBL2413142;GENER;EPAM;25;0;"ph = 7.4, <a href=https://www.ebi.ac.uk/chembl/assay_report_card/CHEMBL2416481/  target=_blank>CHEMBL2416481</a>";;;;;;;;;-5.39;;;;;;;;;;;;"Hirayama T, Okaniwa M, Imada T, Ohashi A, Ohori M, Iwai K, Mori K, Kawamoto T, Yokota A, Tanaka T, Ishikawa T.: Synthetic studies of centromere-associated protein-E (CENP-E) inhibitors: 1.Exploration of fused bicyclic core scaffolds using electrostatic potential map. Bioorg Med Chem, Volume 21 (17), 2013";ChEMBL
MM472023;MM472023;CN(C)CCN(Cc1ccc(Cl)c(Cl)c1)C(=O)c1nc2cccc(Br)n2c1-c1ccc(F)cc1;ZATPRXWLTXOXAQ-UHFFFAOYSA-N;564.29;6.41;71769678;;;CHEMBL2413146;GENER;EPAM;25;0;"ph = 7.4, <a href=https://www.ebi.ac.uk/chembl/assay_report_card/CHEMBL2416481/  target=_blank>CHEMBL2416481</a>";;;;;;;;;-4.45;;;;;;;;;;;;"Hirayama T, Okaniwa M, Imada T, Ohashi A, Ohori M, Iwai K, Mori K, Kawamoto T, Yokota A, Tanaka T, Ishikawa T.: Synthetic studies of centromere-associated protein-E (CENP-E) inhibitors: 1.Exploration of fused bicyclic core scaffolds using electrostatic potential map. Bioorg Med Chem, Volume 21 (17), 2013";ChEMBL
MM473091;MM473091;CCOc1cc(CN2CCC(NC(=O)c3cncc(C)c3)CC2)ccc1Cl;DARWEDNPGILOPQ-UHFFFAOYSA-N;387.91;3.84;11963995;;;CHEMBL241329;GENER;EPAM;25;0;"<a href=https://www.ebi.ac.uk/chembl/assay_report_card/CHEMBL1212339/  target=_blank>CHEMBL1212339</a>";;;;;;;;;-5.71;;;;;;;;;;;;"Alker A, Binggeli A, Christ AD, Green L, Maerki HP, Martin RE, Mohr P.: Piperidinyl-nicotinamides as potent and selective somatostatin receptor subtype 5 antagonists. Bioorg Med Chem Lett, Volume 20 (15), 2010";ChEMBL
MM472399;MM472399;CC(C)(O)CC1CCN(C(=O)c2cc3ccccc3[nH]2)CC1;IINOFUOFXJJMDX-UHFFFAOYSA-N;300.4;3.18;25210766;;;CHEMBL2413850;GENER;EPAM;25;0;"ph = 6.5, <a href=https://www.ebi.ac.uk/chembl/assay_report_card/CHEMBL2415368/  target=_blank>CHEMBL2415368</a>";;;;;;;;;-4.59;;;;;;;;;;;;"Watanabe K, Kakefuda A, Yasuda M, Enjo K, Kikuchi A, Furutani T, Naritomi Y, Otsuka Y, Okada M, Ohta M.: Discovery of 2-methyl-1-{1-[(5-methyl-1H-indol-2-yl)carbonyl]piperidin-4-yl}propan-2-ol: a novel, potent and selective type 5 17β-hydroxysteroid dehydrogenase inhibitor. Bioorg Med Chem, Volume 21 (17), 2013";ChEMBL
MM471792;MM471792;CSc1nc(NCc2cccc(F)c2)c2cnn(CC(Cl)c3ccccc3)c2n1;JDCIDTFQSPPSQG-UHFFFAOYSA-N;427.94;5.28;;;;;GENER;EPAM;25;0;"ph = 7.4, <a href=https://www.ebi.ac.uk/chembl/assay_report_card/CHEMBL1056608/  target=_blank>CHEMBL1056608</a>";;;;;;;;;-5.51;;;;;;;;;;;;"Dreassi E, Zizzari AT, Falchi F, Schenone S, Santucci A, Maga G, Botta M.: Determination of permeability and lipophilicity of pyrazolo-pyrimidine tyrosine kinase inhibitors and correlation with biological data. Eur J Med Chem, Volume 44 (9), 2009";ChEMBL
MM471795;MM471795;CSc1nc(NCc2ccc(F)cc2)c2cnn(CC(Cl)c3ccccc3)c2n1;ZDVMCRNBPCIWEL-UHFFFAOYSA-N;427.94;5.28;;;;;GENER;EPAM;25;0;"ph = 7.4, <a href=https://www.ebi.ac.uk/chembl/assay_report_card/CHEMBL1056608/  target=_blank>CHEMBL1056608</a>";;;;;;;;;-5.7;;;;;;;;;;;;"Dreassi E, Zizzari AT, Falchi F, Schenone S, Santucci A, Maga G, Botta M.: Determination of permeability and lipophilicity of pyrazolo-pyrimidine tyrosine kinase inhibitors and correlation with biological data. Eur J Med Chem, Volume 44 (9), 2009";ChEMBL
MM471799;MM471799;CSc1nc(NCc2ccccc2)c2cnn(CC(Cl)c3ccc(Cl)cc3)c2n1;JUBQMCOOSJGKFM-UHFFFAOYSA-N;444.39;5.79;;;;;GENER;EPAM;25;0;"ph = 7.4, <a href=https://www.ebi.ac.uk/chembl/assay_report_card/CHEMBL1056608/  target=_blank>CHEMBL1056608</a>";;;;;;;;;-5.87;;;;;;;;;;;;"Dreassi E, Zizzari AT, Falchi F, Schenone S, Santucci A, Maga G, Botta M.: Determination of permeability and lipophilicity of pyrazolo-pyrimidine tyrosine kinase inhibitors and correlation with biological data. Eur J Med Chem, Volume 44 (9), 2009";ChEMBL
MM471796;MM471796;CSc1nc(NCc2ccccc2)c2cnn(CC(Cl)c3ccc(F)cc3)c2n1;GGEDDOAPJMUBJS-UHFFFAOYSA-N;427.94;5.28;;;;;GENER;EPAM;25;0;"ph = 7.4, <a href=https://www.ebi.ac.uk/chembl/assay_report_card/CHEMBL1056608/  target=_blank>CHEMBL1056608</a>";;;;;;;;;-5.62;;;;;;;;;;;;"Dreassi E, Zizzari AT, Falchi F, Schenone S, Santucci A, Maga G, Botta M.: Determination of permeability and lipophilicity of pyrazolo-pyrimidine tyrosine kinase inhibitors and correlation with biological data. Eur J Med Chem, Volume 44 (9), 2009";ChEMBL
MM474029;MM474029;N#Cc1c(Cl)nc(NCCCC2CCN(Cc3ccccc3)CC2)c(C#N)c1-c1ccccc1;PWFVTINZOVIFQP-UHFFFAOYSA-N;470.02;6.25;;;;;GENER;EPAM;25;0;"<a href=https://www.ebi.ac.uk/chembl/assay_report_card/CHEMBL2421447/  target=_blank>CHEMBL2421447</a>";;;;;;;;;-4.99;;;;;;;;;;;;"Samadi A, de la Fuente Revenga M, Pérez C, Iriepa I, Moraleda I, Rodríguez-Franco MI, Marco-Contelles J.: Synthesis, pharmacological assessment, and molecular modeling of 6-chloro-pyridonepezils: new dual AChE inhibitors as potential drugs for the treatment of Alzheimer's disease. Eur J Med Chem, Volume 67, 2013";ChEMBL
MM474028;MM474028;N#Cc1c(Cl)nc(NCCCCC2CCN(Cc3ccccc3)CC2)c(C#N)c1-c1ccccc1;NXFUAVRJMVGTEU-UHFFFAOYSA-N;484.05;6.64;;;;;GENER;EPAM;25;0;"<a href=https://www.ebi.ac.uk/chembl/assay_report_card/CHEMBL2421447/  target=_blank>CHEMBL2421447</a>";;;;;;;;;-4.99;;;;;;;;;;;;"Samadi A, de la Fuente Revenga M, Pérez C, Iriepa I, Moraleda I, Rodríguez-Franco MI, Marco-Contelles J.: Synthesis, pharmacological assessment, and molecular modeling of 6-chloro-pyridonepezils: new dual AChE inhibitors as potential drugs for the treatment of Alzheimer's disease. Eur J Med Chem, Volume 67, 2013";ChEMBL
MM474027;MM474027;N#Cc1cc(C#N)c(NC2CCN(Cc3ccccc3)CC2)nc1Cl;APUNUGFNNAECLO-UHFFFAOYSA-N;351.84;3.55;;;;;GENER;EPAM;25;0;"<a href=https://www.ebi.ac.uk/chembl/assay_report_card/CHEMBL2421447/  target=_blank>CHEMBL2421447</a>";;;;;;;;;-5.13;;;;;;;;;;;;"Samadi A, de la Fuente Revenga M, Pérez C, Iriepa I, Moraleda I, Rodríguez-Franco MI, Marco-Contelles J.: Synthesis, pharmacological assessment, and molecular modeling of 6-chloro-pyridonepezils: new dual AChE inhibitors as potential drugs for the treatment of Alzheimer's disease. Eur J Med Chem, Volume 67, 2013";ChEMBL
MM474026;MM474026;N#Cc1cc(C#N)c(NCCC2CCN(Cc3ccccc3)CC2)nc1Cl;KPKNMUAGNOEDIE-UHFFFAOYSA-N;379.9;4.19;;;;;GENER;EPAM;25;0;"<a href=https://www.ebi.ac.uk/chembl/assay_report_card/CHEMBL2421447/  target=_blank>CHEMBL2421447</a>";;;;;;;;;-5.07;;;;;;;;;;;;"Samadi A, de la Fuente Revenga M, Pérez C, Iriepa I, Moraleda I, Rodríguez-Franco MI, Marco-Contelles J.: Synthesis, pharmacological assessment, and molecular modeling of 6-chloro-pyridonepezils: new dual AChE inhibitors as potential drugs for the treatment of Alzheimer's disease. Eur J Med Chem, Volume 67, 2013";ChEMBL
MM474025;MM474025;N#Cc1cc(C#N)c(NCCCC2CCN(Cc3ccccc3)CC2)nc1Cl;CXJHSZNBWBHAQG-UHFFFAOYSA-N;393.92;4.58;;;;;GENER;EPAM;25;0;"<a href=https://www.ebi.ac.uk/chembl/assay_report_card/CHEMBL2421447/  target=_blank>CHEMBL2421447</a>";;;;;;;;;-5.22;;;;;;;;;;;;"Samadi A, de la Fuente Revenga M, Pérez C, Iriepa I, Moraleda I, Rodríguez-Franco MI, Marco-Contelles J.: Synthesis, pharmacological assessment, and molecular modeling of 6-chloro-pyridonepezils: new dual AChE inhibitors as potential drugs for the treatment of Alzheimer's disease. Eur J Med Chem, Volume 67, 2013";ChEMBL
MM474024;MM474024;N#Cc1cc(C#N)c(NCCCCC2CCN(Cc3ccccc3)CC2)nc1Cl;VPVULNNWJJSXOM-UHFFFAOYSA-N;407.95;4.97;;;;;GENER;EPAM;25;0;"<a href=https://www.ebi.ac.uk/chembl/assay_report_card/CHEMBL2421447/  target=_blank>CHEMBL2421447</a>";;;;;;;;;-5.16;;;;;;;;;;;;"Samadi A, de la Fuente Revenga M, Pérez C, Iriepa I, Moraleda I, Rodríguez-Franco MI, Marco-Contelles J.: Synthesis, pharmacological assessment, and molecular modeling of 6-chloro-pyridonepezils: new dual AChE inhibitors as potential drugs for the treatment of Alzheimer's disease. Eur J Med Chem, Volume 67, 2013";ChEMBL
MM474023;MM474023;N#Cc1cc(C#N)c(NC2CCN(Cc3ccccc3)CC2)nc1NC1CCN(Cc2ccccc2)CC1;OXQRMHHRDWXOPE-UHFFFAOYSA-N;505.67;4.98;;;;;GENER;EPAM;25;0;"<a href=https://www.ebi.ac.uk/chembl/assay_report_card/CHEMBL2421447/  target=_blank>CHEMBL2421447</a>";;;;;;;;;-5.3;;;;;;;;;;;;"Samadi A, de la Fuente Revenga M, Pérez C, Iriepa I, Moraleda I, Rodríguez-Franco MI, Marco-Contelles J.: Synthesis, pharmacological assessment, and molecular modeling of 6-chloro-pyridonepezils: new dual AChE inhibitors as potential drugs for the treatment of Alzheimer's disease. Eur J Med Chem, Volume 67, 2013";ChEMBL
MM472025;MM472025;Cc1cc(Cn2ccnc2C(Cc2cc(C)c3[nH]ncc3c2)NC(=O)N2CCC(N3Cc4ccccc4NC3=O)CC2)cc(Cl)n1;VPVMAWOPPJSTCZ-UHFFFAOYSA-N;638.18;5.98;11422298;;;CHEMBL2430167;GENER;EPAM;25;0;"ph = 7.4, <a href=https://www.ebi.ac.uk/chembl/assay_report_card/CHEMBL2433978/  target=_blank>CHEMBL2433978</a>";;;;;;;;;-5.42;;;;;;;;;;;;"Tora G, Degnan AP, Conway CM, Kostich WA, Davis CD, Pin SS, Schartman R, Xu C, Widmann KA, Macor JE, Dubowchik GM.: Preparation of imidazoles as potent calcitonin gene-related peptide (CGRP) antagonists. Bioorg Med Chem Lett, Volume 23 (20), 2013";ChEMBL
MM471257;MM471257;COc1cc2nc(C3CC3)nc(N3CCN(c4ccccc4OC)CC3)c2cc1OC;SWEOAXMICIJCQC-UHFFFAOYSA-N;420.51;3.86;53245590;;;CHEMBL2431120;GENER;EPAM;25;0;"<a href=https://www.ebi.ac.uk/chembl/assay_report_card/CHEMBL2433249/  target=_blank>CHEMBL2433249</a>";;;;;;;;;-2.68;;;;;;;;;;;;"Peddibhotla S, Hedrick MP, Hershberger P, Maloney PR, Li Y, Milewski M, Gosalia P, Gray W, Mehta A, Sugarman E, Hood B, Suyama E, Nguyen K, Heynen-Genel S, Vasile S, Salaniwal S, Stonich D, Su Y, Mangravita-Novo A, Vicchiarelli M, Roth GP, Smith LH, Chung TD, Hanson GR, Thomas JB, Caron MG, Barak LS, Pinkerton AB.: Discovery of ML314, a Brain Penetrant Non-Peptidic β-Arrestin Biased Agonist of the Neurotensin NTR1 Receptor. ACS Med Chem Lett, Volume 4 (9), 2013";ChEMBL
MM474032;MM474032;O=C(O)c1ccc(Sc2ccc(CN3CCC(N4C(=O)N(C5CCOCC5)CC4c4ccccc4)CC3)cn2)cc1;BZKHTWAGPLWPPO-LJAQVGFWSA-N;572.73;5.55;16041411;;;CHEMBL2434978;GENER;EPAM;25;0;"<a href=https://www.ebi.ac.uk/chembl/assay_report_card/CHEMBL2439730/  target=_blank>CHEMBL2439730</a>";;;;;;;;;-4.93;;;;;;;;;;;;"Skerlj R, Bridger G, Zhou Y, Bourque E, McEachern E, Metz M, Harwig C, Li TS, Yang W, Bogucki D, Zhu Y, Langille J, Veale D, Ba T, Bey M, Baird I, Kaller A, Krumpak M, Leitch D, Satori M, Vocadlo K, Guay D, Nan S, Yee H, Crawford J, Chen G, Wilson T, Carpenter B, Gauthier D, Macfarland R, Mosi R, Bodart V, Wong R, Fricker S, Schols D.: Design of substituted imidazolidinylpiperidinylbenzoic acids as chemokine receptor 5 antagonists: potent inhibitors of R5 HIV-1 replication. J Med Chem, Volume 56 (20), 2013";ChEMBL
MM474033;MM474033;Cc1nc(Oc2ccc(C(=O)O)cc2)ccc1CN1CCC(N2C(=O)N(C3CCOCC3)CC2c2ccccc2)CC1;NAYZSSQGIKJDGG-PMERELPUSA-N;570.69;5.5;58835024;;;CHEMBL2435852;GENER;EPAM;25;0;"<a href=https://www.ebi.ac.uk/chembl/assay_report_card/CHEMBL2439730/  target=_blank>CHEMBL2439730</a>";;;;;;;;;-5.11;;;;;;;;;;;;"Skerlj R, Bridger G, Zhou Y, Bourque E, McEachern E, Metz M, Harwig C, Li TS, Yang W, Bogucki D, Zhu Y, Langille J, Veale D, Ba T, Bey M, Baird I, Kaller A, Krumpak M, Leitch D, Satori M, Vocadlo K, Guay D, Nan S, Yee H, Crawford J, Chen G, Wilson T, Carpenter B, Gauthier D, Macfarland R, Mosi R, Bodart V, Wong R, Fricker S, Schols D.: Design of substituted imidazolidinylpiperidinylbenzoic acids as chemokine receptor 5 antagonists: potent inhibitors of R5 HIV-1 replication. J Med Chem, Volume 56 (20), 2013";ChEMBL
MM474030;MM474030;CCc1nc(Oc2ccc(C(=O)O)cc2)ccc1CN1CCC(N2C(=O)N(C3CCOCC3)CC2c2ccccc2)CC1;FJAGYOZYOQUDEQ-HKBQPEDESA-N;584.72;5.76;58835217;;;CHEMBL2435856;GENER;EPAM;25;0;"<a href=https://www.ebi.ac.uk/chembl/assay_report_card/CHEMBL2439730/  target=_blank>CHEMBL2439730</a>";;;;;;;;;-4.91;;;;;;;;;;;;"Skerlj R, Bridger G, Zhou Y, Bourque E, McEachern E, Metz M, Harwig C, Li TS, Yang W, Bogucki D, Zhu Y, Langille J, Veale D, Ba T, Bey M, Baird I, Kaller A, Krumpak M, Leitch D, Satori M, Vocadlo K, Guay D, Nan S, Yee H, Crawford J, Chen G, Wilson T, Carpenter B, Gauthier D, Macfarland R, Mosi R, Bodart V, Wong R, Fricker S, Schols D.: Design of substituted imidazolidinylpiperidinylbenzoic acids as chemokine receptor 5 antagonists: potent inhibitors of R5 HIV-1 replication. J Med Chem, Volume 56 (20), 2013";ChEMBL
MM474031;MM474031;Cc1nc(Oc2ccc(C(N)=O)cc2)ccc1CN1CCC(N2C(=O)N(C3CCOCC3)CC2c2ccccc2)CC1;OKRZBWWJVVVKHT-PMERELPUSA-N;569.71;4.9;58834953;;;CHEMBL2435858;GENER;EPAM;25;0;"<a href=https://www.ebi.ac.uk/chembl/assay_report_card/CHEMBL2439730/  target=_blank>CHEMBL2439730</a>";;;;;;;;;-4.92;;;;;;;;;;;;"Skerlj R, Bridger G, Zhou Y, Bourque E, McEachern E, Metz M, Harwig C, Li TS, Yang W, Bogucki D, Zhu Y, Langille J, Veale D, Ba T, Bey M, Baird I, Kaller A, Krumpak M, Leitch D, Satori M, Vocadlo K, Guay D, Nan S, Yee H, Crawford J, Chen G, Wilson T, Carpenter B, Gauthier D, Macfarland R, Mosi R, Bodart V, Wong R, Fricker S, Schols D.: Design of substituted imidazolidinylpiperidinylbenzoic acids as chemokine receptor 5 antagonists: potent inhibitors of R5 HIV-1 replication. J Med Chem, Volume 56 (20), 2013";ChEMBL
MM474443;MM474443;CN1CCC(Nc2ccc3ncc(-c4cnn(-c5cnccn5)c4)n3n2)CC1;TVZFZVLMJJPNJS-UHFFFAOYSA-N;375.44;1.88;66549112;;;CHEMBL2436440;GENER;EPAM;25;0;"<a href=https://www.ebi.ac.uk/chembl/assay_report_card/CHEMBL2439446/  target=_blank>CHEMBL2439446</a>";;;;;;;;;-7.3;;;;;;;;;;;;"Large JM, Osborne SA, Smiljanic-Hurley E, Ansell KH, Jones HM, Taylor DL, Clough B, Green JL, Holder AA.: Imidazopyridazines as potent inhibitors of Plasmodium falciparum calcium-dependent protein kinase 1 (PfCDPK1): Preparation and evaluation of pyrazole linked analogues. Bioorg Med Chem Lett, Volume 23 (21), 2013";ChEMBL
MM474442;MM474442;NC1CCC(Nc2ccc3ncc(-c4cnn(-c5ccc(F)cc5)c4)n3n2)CC1;QEVNEODRZSMEST-QAQDUYKDSA-N;391.45;3.4;72375441;;;CHEMBL2436441;GENER;EPAM;25;0;"<a href=https://www.ebi.ac.uk/chembl/assay_report_card/CHEMBL2439446/  target=_blank>CHEMBL2439446</a>";;;;;;;;;-5.37;;;;;;;;;;;;"Large JM, Osborne SA, Smiljanic-Hurley E, Ansell KH, Jones HM, Taylor DL, Clough B, Green JL, Holder AA.: Imidazopyridazines as potent inhibitors of Plasmodium falciparum calcium-dependent protein kinase 1 (PfCDPK1): Preparation and evaluation of pyrazole linked analogues. Bioorg Med Chem Lett, Volume 23 (21), 2013";ChEMBL
MM474441;MM474441;Fc1ccc(-n2cc(-c3cnc4ccc(NC5CCC(N6CCCC6)CC5)nn34)cn2)cc1;ZTJQMIAJXJTMNB-MEMLXQNLSA-N;445.55;4.54;72375442;;;CHEMBL2436442;GENER;EPAM;25;0;"<a href=https://www.ebi.ac.uk/chembl/assay_report_card/CHEMBL2439446/  target=_blank>CHEMBL2439446</a>";;;;;;;;;-4.98;;;;;;;;;;;;"Large JM, Osborne SA, Smiljanic-Hurley E, Ansell KH, Jones HM, Taylor DL, Clough B, Green JL, Holder AA.: Imidazopyridazines as potent inhibitors of Plasmodium falciparum calcium-dependent protein kinase 1 (PfCDPK1): Preparation and evaluation of pyrazole linked analogues. Bioorg Med Chem Lett, Volume 23 (21), 2013";ChEMBL
MM474440;MM474440;CN1CCC(Oc2ccc3ncc(-c4cnn(-c5ccc(F)cc5)c4)n3n2)CC1;JRSLWKGUIMBYLK-UHFFFAOYSA-N;392.44;3.19;72375443;;;CHEMBL2436443;GENER;EPAM;25;0;"<a href=https://www.ebi.ac.uk/chembl/assay_report_card/CHEMBL2439446/  target=_blank>CHEMBL2439446</a>";;;;;;;;;-4.67;;;;;;;;;;;;"Large JM, Osborne SA, Smiljanic-Hurley E, Ansell KH, Jones HM, Taylor DL, Clough B, Green JL, Holder AA.: Imidazopyridazines as potent inhibitors of Plasmodium falciparum calcium-dependent protein kinase 1 (PfCDPK1): Preparation and evaluation of pyrazole linked analogues. Bioorg Med Chem Lett, Volume 23 (21), 2013";ChEMBL
MM473116;MM473116;CN1CCN(c2ccc(OC(F)(F)F)c(Nc3ncc4c(n3)-c3c(c(C(N)=O)nn3C)CC4)c2)CC1;;502.5;2.47;24825755;;;CHEMBL1272140;GENER;EPAM;25;0;"<a href=https://www.ebi.ac.uk/chembl/assay_report_card/CHEMBL1272706/  target=_blank>CHEMBL1272706</a>";;;;;;;;;-4.3;;;;;;;;;;;;"Beria I, Valsasina B, Brasca MG, Ceccarelli W, Colombo M, Cribioli S, Fachin G, Ferguson RD, Fiorentini F, Gianellini LM, Giorgini ML, Moll JK, Posteri H, Pezzetta D, Roletto F, Sola F, Tesei D, Caruso M.: 4,5-Dihydro-1H-pyrazolo[4,3-h]quinazolines as potent and selective Polo-like kinase 1 (PLK1) inhibitors. Bioorg Med Chem Lett, Volume 20 (22), 2010";ChEMBL
MM474439;MM474439;Fc1ccc(-n2cc(-c3cnn4ccc(C5CCCNC5)nc34)cn2)cc1;FQRJKOPMEKMPIB-UHFFFAOYSA-N;362.41;3.19;72375444;;;CHEMBL2436444;GENER;EPAM;25;0;"<a href=https://www.ebi.ac.uk/chembl/assay_report_card/CHEMBL2439446/  target=_blank>CHEMBL2439446</a>";;;;;;;;;-4.66;;;;;;;;;;;;"Large JM, Osborne SA, Smiljanic-Hurley E, Ansell KH, Jones HM, Taylor DL, Clough B, Green JL, Holder AA.: Imidazopyridazines as potent inhibitors of Plasmodium falciparum calcium-dependent protein kinase 1 (PfCDPK1): Preparation and evaluation of pyrazole linked analogues. Bioorg Med Chem Lett, Volume 23 (21), 2013";ChEMBL
MM473116;MM473116;CN1CCN(c2ccc(OC(F)(F)F)c(Nc3ncc4c(n3)-c3c(c(C(N)=O)nn3C)CC4)c2)CC1;;502.5;2.47;24825755;;;CHEMBL1272140;GENER;EPAM;25;0;"<a href=https://www.ebi.ac.uk/chembl/assay_report_card/CHEMBL1777615/  target=_blank>CHEMBL1777615</a>";;;;;;;;;-4.3;;;;;;;;;;;;"Beria I, Bossi RT, Brasca MG, Caruso M, Ceccarelli W, Fachin G, Fasolini M, Forte B, Fiorentini F, Pesenti E, Pezzetta D, Posteri H, Scolaro A, Re Depaolini S, Valsasina B.: NMS-P937, a 4,5-dihydro-1H-pyrazolo[4,3-h]quinazoline derivative as potent and selective Polo-like kinase 1 inhibitor. Bioorg Med Chem Lett, Volume 21 (10), 2011";ChEMBL
MM474445;MM474445;c1ccc(-n2cc(-c3cnc4ccc(NC5CCNCC5)nn34)cn2)cc1;RUELNBPHROFCEJ-UHFFFAOYSA-N;359.44;2.75;73353994;;;CHEMBL2436454;GENER;EPAM;25;0;"<a href=https://www.ebi.ac.uk/chembl/assay_report_card/CHEMBL2439446/  target=_blank>CHEMBL2439446</a>";;;;;;;;;-5.64;;;;;;;;;;;;"Large JM, Osborne SA, Smiljanic-Hurley E, Ansell KH, Jones HM, Taylor DL, Clough B, Green JL, Holder AA.: Imidazopyridazines as potent inhibitors of Plasmodium falciparum calcium-dependent protein kinase 1 (PfCDPK1): Preparation and evaluation of pyrazole linked analogues. Bioorg Med Chem Lett, Volume 23 (21), 2013";ChEMBL
MM474444;MM474444;CN1CCC(Nc2ccc3ncc(-c4cnn(-c5cccc(F)c5)c4)n3n2)CC1;KAHXWCMLLCYZQC-UHFFFAOYSA-N;391.45;3.23;72375345;;;CHEMBL2436460;GENER;EPAM;25;0;"<a href=https://www.ebi.ac.uk/chembl/assay_report_card/CHEMBL2439446/  target=_blank>CHEMBL2439446</a>";;;;;;;;;-4.96;;;;;;;;;;;;"Large JM, Osborne SA, Smiljanic-Hurley E, Ansell KH, Jones HM, Taylor DL, Clough B, Green JL, Holder AA.: Imidazopyridazines as potent inhibitors of Plasmodium falciparum calcium-dependent protein kinase 1 (PfCDPK1): Preparation and evaluation of pyrazole linked analogues. Bioorg Med Chem Lett, Volume 23 (21), 2013";ChEMBL
MM474142;MM474142;O=c1n(Cc2nc3ccccc3n2CCCCO)c2cnccc2n1C1CC1;KSHJXDWYTZJUEI-UHFFFAOYSA-N;377.45;2.7;6478034;;;CHEMBL243876;GENER;EPAM;25;0;"<a href=https://www.ebi.ac.uk/chembl/assay_report_card/CHEMBL3428423/  target=_blank>CHEMBL3428423</a>";;;;;;;;;-5.66;;;;;;;;;;;;"Feng S, Hong D, Wang B, Zheng X, Miao K, Wang L, Yun H, Gao L, Zhao S, Shen HC.: Discovery of imidazopyridine derivatives as highly potent respiratory syncytial virus fusion inhibitors. ACS Med Chem Lett, Volume 6 (3), 2015";ChEMBL
MM472637;MM472637;CCCCC(NC(=O)C(CCCCN)NC(=O)C(CCCN=C(N)N)NC(=O)c1ccc(C=C2SC(=S)N(CCCC)C2=O)cc1)C(N)=O;IYNRFFXZCIBVIZ-OPIGBIQLSA-N;717.96;1.82;72713955;;;CHEMBL2440322;GENER;EPAM;25;0;"<a href=https://www.ebi.ac.uk/chembl/assay_report_card/CHEMBL2447436/  target=_blank>CHEMBL2447436</a>";;;;;;;;;-5.79;;;;;;;;;;;;"Nitsche C, Schreier VN, Behnam MA, Kumar A, Bartenschlager R, Klein CD.: Thiazolidinone-peptide hybrids as dengue virus protease inhibitors with antiviral activity in cell culture. J Med Chem, Volume 56 (21), 2013";ChEMBL
MM472298;MM472298;COc1cc(COc2cccc(NC(=O)C3CCN(c4ccncc4)CC3)c2)cc(OC)c1;KOBZCTBBLICOOC-UHFFFAOYSA-N;447.54;4.53;72712250;;;CHEMBL2441036;GENER;EPAM;25;0;"ph = 6.8, <a href=https://www.ebi.ac.uk/chembl/assay_report_card/CHEMBL2443896/  target=_blank>CHEMBL2443896</a>";;;;;;;;;-4.6;;;;;;;;;;;;"de Candia M, Fiorella F, Lopopolo G, Carotti A, Romano MR, Lograno MD, Martel S, Carrupt PA, Belviso BD, Caliandro R, Altomare C.: Synthesis and biological evaluation of direct thrombin inhibitors bearing 4-(piperidin-1-yl)pyridine at the P1 position with potent anticoagulant activity. J Med Chem, Volume 56 (21), 2013";ChEMBL
MM472299;MM472299;COc1ccc(COc2cccc(NC(=O)C3CCN(c4ccncc4)CC3)c2)cc1OC;REJHNYWZKUTBBF-UHFFFAOYSA-N;447.54;4.53;;;;;GENER;EPAM;25;0;"ph = 6.8, <a href=https://www.ebi.ac.uk/chembl/assay_report_card/CHEMBL2443896/  target=_blank>CHEMBL2443896</a>";;;;;;;;;-4.5;;;;;;;;;;;;"de Candia M, Fiorella F, Lopopolo G, Carotti A, Romano MR, Lograno MD, Martel S, Carrupt PA, Belviso BD, Caliandro R, Altomare C.: Synthesis and biological evaluation of direct thrombin inhibitors bearing 4-(piperidin-1-yl)pyridine at the P1 position with potent anticoagulant activity. J Med Chem, Volume 56 (21), 2013";ChEMBL
MM472300;MM472300;CS(=O)(=O)c1ccc(COc2cccc(NC(=O)C3CCN(c4ccncc4)CC3)c2)cc1;BPDDZCPQEDDEQM-UHFFFAOYSA-N;465.58;3.92;72712060;;;CHEMBL2441047;GENER;EPAM;25;0;"ph = 6.8, <a href=https://www.ebi.ac.uk/chembl/assay_report_card/CHEMBL2443896/  target=_blank>CHEMBL2443896</a>";;;;;;;;;-4.9;;;;;;;;;;;;"de Candia M, Fiorella F, Lopopolo G, Carotti A, Romano MR, Lograno MD, Martel S, Carrupt PA, Belviso BD, Caliandro R, Altomare C.: Synthesis and biological evaluation of direct thrombin inhibitors bearing 4-(piperidin-1-yl)pyridine at the P1 position with potent anticoagulant activity. J Med Chem, Volume 56 (21), 2013";ChEMBL
MM472301;MM472301;O=C(Nc1cccc(OCc2cc(F)cc(F)c2)c1)C1CCN(c2ccncc2)CC1;ZORXTJQDLSFBOA-UHFFFAOYSA-N;423.46;4.79;72712053;;;CHEMBL2441054;GENER;EPAM;25;0;"ph = 6.8, <a href=https://www.ebi.ac.uk/chembl/assay_report_card/CHEMBL2443896/  target=_blank>CHEMBL2443896</a>";;;;;;;;;-5;;;;;;;;;;;;"de Candia M, Fiorella F, Lopopolo G, Carotti A, Romano MR, Lograno MD, Martel S, Carrupt PA, Belviso BD, Caliandro R, Altomare C.: Synthesis and biological evaluation of direct thrombin inhibitors bearing 4-(piperidin-1-yl)pyridine at the P1 position with potent anticoagulant activity. J Med Chem, Volume 56 (21), 2013";ChEMBL
MM472302;MM472302;O=C(Nc1cccc(OCc2ccccc2F)c1)C1CCN(c2ccncc2)CC1;DXAPSOAHVMXRKS-UHFFFAOYSA-N;405.47;4.65;72712051;;;CHEMBL2441055;GENER;EPAM;25;0;"ph = 6.8, <a href=https://www.ebi.ac.uk/chembl/assay_report_card/CHEMBL2443896/  target=_blank>CHEMBL2443896</a>";;;;;;;;;-4.6;;;;;;;;;;;;"de Candia M, Fiorella F, Lopopolo G, Carotti A, Romano MR, Lograno MD, Martel S, Carrupt PA, Belviso BD, Caliandro R, Altomare C.: Synthesis and biological evaluation of direct thrombin inhibitors bearing 4-(piperidin-1-yl)pyridine at the P1 position with potent anticoagulant activity. J Med Chem, Volume 56 (21), 2013";ChEMBL
MM472303;MM472303;O=C(Nc1cccc(OCc2cccc(F)c2)c1)C1CCN(c2ccncc2)CC1;NTCCWWNRATWWLQ-UHFFFAOYSA-N;405.47;4.65;72712050;;;CHEMBL2441057;GENER;EPAM;25;0;"ph = 6.8, <a href=https://www.ebi.ac.uk/chembl/assay_report_card/CHEMBL2443896/  target=_blank>CHEMBL2443896</a>";;;;;;;;;-4.8;;;;;;;;;;;;"de Candia M, Fiorella F, Lopopolo G, Carotti A, Romano MR, Lograno MD, Martel S, Carrupt PA, Belviso BD, Caliandro R, Altomare C.: Synthesis and biological evaluation of direct thrombin inhibitors bearing 4-(piperidin-1-yl)pyridine at the P1 position with potent anticoagulant activity. J Med Chem, Volume 56 (21), 2013";ChEMBL
MM472304;MM472304;O=C(Nc1cccc(OCc2ccc(F)cc2)c1)C1CCN(c2ccncc2)CC1;;405.47;4.65;72712049;;;CHEMBL2441058;GENER;EPAM;25;0;"<a href=https://www.ebi.ac.uk/chembl/assay_report_card/CHEMBL2443894/  target=_blank>CHEMBL2443894</a>";;;;;;;;;-4.4;;;;;;;;;;;;"de Candia M, Fiorella F, Lopopolo G, Carotti A, Romano MR, Lograno MD, Martel S, Carrupt PA, Belviso BD, Caliandro R, Altomare C.: Synthesis and biological evaluation of direct thrombin inhibitors bearing 4-(piperidin-1-yl)pyridine at the P1 position with potent anticoagulant activity. J Med Chem, Volume 56 (21), 2013";ChEMBL
MM472304;MM472304;O=C(Nc1cccc(OCc2ccc(F)cc2)c1)C1CCN(c2ccncc2)CC1;;405.47;4.65;72712049;;;CHEMBL2441058;GENER;EPAM;25;0;"ph = 6.8, <a href=https://www.ebi.ac.uk/chembl/assay_report_card/CHEMBL2443896/  target=_blank>CHEMBL2443896</a>";;;;;;;;;-4.7;;;;;;;;;;;;"de Candia M, Fiorella F, Lopopolo G, Carotti A, Romano MR, Lograno MD, Martel S, Carrupt PA, Belviso BD, Caliandro R, Altomare C.: Synthesis and biological evaluation of direct thrombin inhibitors bearing 4-(piperidin-1-yl)pyridine at the P1 position with potent anticoagulant activity. J Med Chem, Volume 56 (21), 2013";ChEMBL
MM472305;MM472305;Nc1ccc(N2CCC(C(=O)Nc3cccc(OCc4ccc(F)cc4)c3)CC2)cc1;KRRDPEYXRXJAPC-UHFFFAOYSA-N;419.5;4.84;72711863;;;CHEMBL2441059;GENER;EPAM;25;0;"ph = 6.8, <a href=https://www.ebi.ac.uk/chembl/assay_report_card/CHEMBL2443896/  target=_blank>CHEMBL2443896</a>";;;;;;;;;-4;;;;;;;;;;;;"de Candia M, Fiorella F, Lopopolo G, Carotti A, Romano MR, Lograno MD, Martel S, Carrupt PA, Belviso BD, Caliandro R, Altomare C.: Synthesis and biological evaluation of direct thrombin inhibitors bearing 4-(piperidin-1-yl)pyridine at the P1 position with potent anticoagulant activity. J Med Chem, Volume 56 (21), 2013";ChEMBL
MM472028;MM472028;CNC(=O)CN1Cc2nc(C)c(CN)c(-c3ccc(Cl)cc3Cl)c2C1=O;CXZGZTKUARYIDS-UHFFFAOYSA-N;393.27;2.52;57641254;;;CHEMBL2441951;GENER;EPAM;25;0;"ph = 7.4, <a href=https://www.ebi.ac.uk/chembl/assay_report_card/CHEMBL2444172/  target=_blank>CHEMBL2444172</a>";;;;;;;;;-5.06;;;;;;;;;;;;"Devasthale P, Wang Y, Wang W, Fevig J, Feng J, Wang A, Harrity T, Egan D, Morgan N, Cap M, Fura A, Klei HE, Kish K, Weigelt C, Sun L, Levesque P, Moulin F, Li YX, Zahler R, Kirby MS, Hamann LG.: Optimization of activity, selectivity, and liability profiles in 5-oxopyrrolopyridine DPP4 inhibitors leading to clinical candidate (Sa)-2-(3-(aminomethyl)-4-(2,4-dichlorophenyl)-2-methyl-5-oxo-5H-pyrrolo[3,4-b]pyridin-6(7H)-yl)-N,N-dimethylacetamide (BMS-767778). J Med Chem, Volume 56 (18), 2013";ChEMBL
MM472027;MM472027;Cc1nc2c(c(-c3ccc(Cl)cc3Cl)c1CN)C(=O)N(CC(=O)N(C)C)C2;;407.3;2.87;15950755;;;CHEMBL2441952;GENER;EPAM;25;0;"ph = 5.5, <a href=https://www.ebi.ac.uk/chembl/assay_report_card/CHEMBL2444173/  target=_blank>CHEMBL2444173</a>";;;;;;;;;-5.71;;;;;;;;;;;;"Devasthale P, Wang Y, Wang W, Fevig J, Feng J, Wang A, Harrity T, Egan D, Morgan N, Cap M, Fura A, Klei HE, Kish K, Weigelt C, Sun L, Levesque P, Moulin F, Li YX, Zahler R, Kirby MS, Hamann LG.: Optimization of activity, selectivity, and liability profiles in 5-oxopyrrolopyridine DPP4 inhibitors leading to clinical candidate (Sa)-2-(3-(aminomethyl)-4-(2,4-dichlorophenyl)-2-methyl-5-oxo-5H-pyrrolo[3,4-b]pyridin-6(7H)-yl)-N,N-dimethylacetamide (BMS-767778). J Med Chem, Volume 56 (18), 2013";ChEMBL
MM472027;MM472027;Cc1nc2c(c(-c3ccc(Cl)cc3Cl)c1CN)C(=O)N(CC(=O)N(C)C)C2;;407.3;2.87;15950755;;;CHEMBL2441952;GENER;EPAM;25;0;"ph = 6.5, <a href=https://www.ebi.ac.uk/chembl/assay_report_card/CHEMBL2444174/  target=_blank>CHEMBL2444174</a>";;;;;;;;;-4.89;;;;;;;;;;;;"Devasthale P, Wang Y, Wang W, Fevig J, Feng J, Wang A, Harrity T, Egan D, Morgan N, Cap M, Fura A, Klei HE, Kish K, Weigelt C, Sun L, Levesque P, Moulin F, Li YX, Zahler R, Kirby MS, Hamann LG.: Optimization of activity, selectivity, and liability profiles in 5-oxopyrrolopyridine DPP4 inhibitors leading to clinical candidate (Sa)-2-(3-(aminomethyl)-4-(2,4-dichlorophenyl)-2-methyl-5-oxo-5H-pyrrolo[3,4-b]pyridin-6(7H)-yl)-N,N-dimethylacetamide (BMS-767778). J Med Chem, Volume 56 (18), 2013";ChEMBL
MM472027;MM472027;Cc1nc2c(c(-c3ccc(Cl)cc3Cl)c1CN)C(=O)N(CC(=O)N(C)C)C2;;407.3;2.87;15950755;;;CHEMBL2441952;GENER;EPAM;25;0;"ph = 7.4, <a href=https://www.ebi.ac.uk/chembl/assay_report_card/CHEMBL2444172/  target=_blank>CHEMBL2444172</a>";;;;;;;;;-4.48;;;;;;;;;;;;"Devasthale P, Wang Y, Wang W, Fevig J, Feng J, Wang A, Harrity T, Egan D, Morgan N, Cap M, Fura A, Klei HE, Kish K, Weigelt C, Sun L, Levesque P, Moulin F, Li YX, Zahler R, Kirby MS, Hamann LG.: Optimization of activity, selectivity, and liability profiles in 5-oxopyrrolopyridine DPP4 inhibitors leading to clinical candidate (Sa)-2-(3-(aminomethyl)-4-(2,4-dichlorophenyl)-2-methyl-5-oxo-5H-pyrrolo[3,4-b]pyridin-6(7H)-yl)-N,N-dimethylacetamide (BMS-767778). J Med Chem, Volume 56 (18), 2013";ChEMBL
MM474530;MM474530;O=c1[nH]cc(-c2ccc(F)cc2)cc1O;QERVZZFDZPKURK-UHFFFAOYSA-N;205.19;1.89;72204354;;;CHEMBL2443225;GENER;EPAM;25;0;"<a href=https://www.ebi.ac.uk/chembl/assay_report_card/CHEMBL3620434/  target=_blank>CHEMBL3620434</a>";;;;;;;;;-5.36;;;;;;;;;;;;"Chapman TM, Gillen KJ, Wallace C, Lee MT, Bakrania P, Khurana P, Coombs PJ, Stennett L, Fox S, Bureau EA, Brownlees J, Melton DW, Saxty B.: Catechols and 3-hydroxypyridones as inhibitors of the DNA repair complex ERCC1-XPF. Bioorg Med Chem Lett, Volume 25 (19), 2015";ChEMBL
MM472888;MM472888;CC1CCC(NC(=O)c2cnc(N3CCC(CO)CC3)cn2)CC1;DHLVUBGOMDKOGF-CTYIDZIISA-N;332.45;1.99;16216350;;;CHEMBL246252;GENER;EPAM;25;0;"<a href=https://www.ebi.ac.uk/chembl/assay_report_card/CHEMBL902343/  target=_blank>CHEMBL902343</a>";;;;;;;;;-4.59;;;;;;;;;;;;"Owen DR, Dodd PG, Gayton S, Greener BS, Harbottle GW, Mantell SJ, Maw GN, Osborne SA, Rees H, Ringer TJ, Rodriguez-Lens M, Smith GF.: Structure-activity relationships of novel non-competitive mGluR1 antagonists: a potential treatment for chronic pain. Bioorg Med Chem Lett, Volume 17 (2), 2007";ChEMBL
"Acetylsalicylic Acid";MM00080;CC(=O)Oc1ccccc1C(=O)O;BSYNRYMUTXBXSQ-UHFFFAOYSA-N;180.16;1.31;2244;DB00945;AIN;CHEMBL25;GENER;EPAM;25;0;"ph = 5, <a href=https://www.ebi.ac.uk/chembl/assay_report_card/CHEMBL3873505/  target=_blank>CHEMBL3873505</a>";;;;;;;;;-5.29;;;;;;;;;;;;"Shchegol'kov EV, Shchur IV, Burgart YV, Saloutin VI, Trefilova AN, Ljushina GA, Solodnikov SY, Markova LN, Maslova VV, Krasnykh OP, Borisevich SS, Khursan SL.: Polyfluorinated salicylic acid derivatives as analogs of known drugs: Synthesis, molecular docking and biological evaluation. Bioorg Med Chem, Volume 25 (1), 2017";ChEMBL
"Acetylsalicylic Acid";MM00080;CC(=O)Oc1ccccc1C(=O)O;BSYNRYMUTXBXSQ-UHFFFAOYSA-N;180.16;1.31;2244;DB00945;AIN;CHEMBL25;GENER;EPAM;25;0;"ph = 7.4, <a href=https://www.ebi.ac.uk/chembl/assay_report_card/CHEMBL3873507/  target=_blank>CHEMBL3873507</a>";;;;;;;;;-5.33;;;;;;;;;;;;"Shchegol'kov EV, Shchur IV, Burgart YV, Saloutin VI, Trefilova AN, Ljushina GA, Solodnikov SY, Markova LN, Maslova VV, Krasnykh OP, Borisevich SS, Khursan SL.: Polyfluorinated salicylic acid derivatives as analogs of known drugs: Synthesis, molecular docking and biological evaluation. Bioorg Med Chem, Volume 25 (1), 2017";ChEMBL
MM472896;MM472896;O=C(NCCN1CCCCC1)c1nc(NCC(c2ccccc2)c2ccccc2)c2ncn(C3OC(CO)C(O)C3O)c2n1;ZNUJAZSDJXSBIG-YVIFWTNJSA-N;601.71;1.9;9808834;;;CHEMBL256467;GENER;EPAM;25;0;"<a href=https://www.ebi.ac.uk/chembl/assay_report_card/CHEMBL932006/  target=_blank>CHEMBL932006</a>";;;;;;;;;-6.7;;;;;;;;;;;;"Mantell SJ, Stephenson PT, Monaghan SM, Maw GN, Trevethick MA, Yeadon M, Keir RF, Walker DK, Jones RM, Selby MD, Batchelor DV, Rozze S, Chavaroche H, Hobson TJ, Dodd PG, Lemaitre A, Wright KN, Stuart EF.: Inhaled adenosine A(2A) receptor agonists for the treatment of chronic obstructive pulmonary disease. Bioorg Med Chem Lett, Volume 18 (4), 2008";ChEMBL
Chembl257481;MM469689;CNCc1cc(C(=O)NC)ccc1Oc1ccc(Cl)cc1OC;FUFMKPBBSWMURG-UHFFFAOYSA-N;334.8;3.22;44455678;;;CHEMBL257481;GENER;EPAM;25;0;"<a href=https://www.ebi.ac.uk/chembl/assay_report_card/CHEMBL948901/  target=_blank>CHEMBL948901</a>";;;;;;;;;-4.85;;;;;;;;;;;;"Whitlock GA, Blagg J, Fish PV.: 1-(2-Phenoxyphenyl)methanamines: SAR for dual serotonin/noradrenaline reuptake inhibition, metabolic stability and hERG affinity. Bioorg Med Chem Lett, Volume 18 (2), 2008";ChEMBL
Chembl258060;MM469709;CNCc1cc(NS(C)(=O)=O)ccc1Oc1ccc(Cl)cc1C;NTOHKBIOUPYUFZ-UHFFFAOYSA-N;354.86;3.53;44455590;;;CHEMBL258060;GENER;EPAM;25;0;"<a href=https://www.ebi.ac.uk/chembl/assay_report_card/CHEMBL948901/  target=_blank>CHEMBL948901</a>";;;;;;;;;-5.66;;;;;;;;;;;;"Whitlock GA, Blagg J, Fish PV.: 1-(2-Phenoxyphenyl)methanamines: SAR for dual serotonin/noradrenaline reuptake inhibition, metabolic stability and hERG affinity. Bioorg Med Chem Lett, Volume 18 (2), 2008";ChEMBL
Chembl258062;MM469686;CNCc1cc(C(=O)N(C)C)ccc1Oc1ccc(Cl)cc1Cl;RFJRYJRDVNGNCX-UHFFFAOYSA-N;353.25;4.21;44455652;;;CHEMBL258062;GENER;EPAM;25;0;"<a href=https://www.ebi.ac.uk/chembl/assay_report_card/CHEMBL948901/  target=_blank>CHEMBL948901</a>";;;;;;;;;-4.85;;;;;;;;;;;;"Whitlock GA, Blagg J, Fish PV.: 1-(2-Phenoxyphenyl)methanamines: SAR for dual serotonin/noradrenaline reuptake inhibition, metabolic stability and hERG affinity. Bioorg Med Chem Lett, Volume 18 (2), 2008";ChEMBL
Chembl258271;MM469695;CNCc1cc(C(N)=O)ccc1Oc1ccc(Cl)cc1Cl;HEBFKAQNVHADTH-UHFFFAOYSA-N;325.2;3.6;44455654;;;CHEMBL258271;GENER;EPAM;25;0;"<a href=https://www.ebi.ac.uk/chembl/assay_report_card/CHEMBL948901/  target=_blank>CHEMBL948901</a>";;;;;;;;;-5;;;;;;;;;;;;"Whitlock GA, Blagg J, Fish PV.: 1-(2-Phenoxyphenyl)methanamines: SAR for dual serotonin/noradrenaline reuptake inhibition, metabolic stability and hERG affinity. Bioorg Med Chem Lett, Volume 18 (2), 2008";ChEMBL
MM473641;MM473641;COc1ccc(Cl)cc1Nc1nc(-c2sc(NC(=O)c3ccccc3)nc2C)cs1;RDOBOPJBMQURAT-UHFFFAOYSA-N;456.98;6.23;;;;;GENER;EPAM;25;0;"<a href=https://www.ebi.ac.uk/chembl/assay_report_card/CHEMBL4324521/  target=_blank>CHEMBL4324521</a>";;;;;;;;;-5.09;;;;;;;;;;;;"Tassini S, Langron E, Delang L, Mirabelli C, Lanko K, Crespan E, Kissova M, Tagliavini G, Fontò G, Bertoni S, Palese S, Giorgio C, Ravanetti F, Ragionieri L, Zamperini C, Mancini A, Dreassi E, Maga G, Vergani P, Neyts J, Radi M.: Multitarget CFTR Modulators Endowed with Multiple Beneficial Side Effects for Cystic Fibrosis Patients: Toward a Simplified Therapeutic Approach †. J Med Chem, Volume 62 (23), 2019";ChEMBL
MM472898;MM472898;COc1cc(Nc2c(C#N)cnc3cc(NCCCN(C)C)c(OC)cc23)c(Cl)cc1Cl;YVRWBKAQVNQTGO-UHFFFAOYSA-N;474.39;5.54;10322656;;;CHEMBL261531;GENER;EPAM;25;0;"<a href=https://www.ebi.ac.uk/chembl/assay_report_card/CHEMBL922057/  target=_blank>CHEMBL922057</a>";;;;;;;;;-5.14;;;;;;;;;;;;"Boschelli DH, Wu B, Ye F, Durutlic H, Golas JM, Lucas J, Boschelli F.: Facile preparation of new 4-phenylamino-3-quinolinecarbonitrile Src kinase inhibitors via 7-fluoro intermediates: identification of potent 7-amino analogs. Bioorg Med Chem, Volume 16 (1), 2008";ChEMBL
Propranolol;MM00085;CC(C)NCC(O)COc1cccc2ccccc12;AQHHHDLHHXJYJD-UHFFFAOYSA-N;259.35;2.58;4946;DB00571;;CHEMBL27;GENER;EPAM;25;0;"<a href=https://www.ebi.ac.uk/chembl/assay_report_card/CHEMBL3859791/  target=_blank>CHEMBL3859791</a>";;;;;;;;;-4.01;;;;;;;;;;;;"Li DD, Wang ZH, Chen WL, Xie YY, You QD, Guo XK.: Structure-based design of ester compounds to inhibit MLL complex catalytic activity by targeting mixed lineage leukemia 1 (MLL1)-WDR5 interaction. Bioorg Med Chem, Volume 24 (22), 2016";ChEMBL
Propranolol;MM00085;CC(C)NCC(O)COc1cccc2ccccc12;AQHHHDLHHXJYJD-UHFFFAOYSA-N;259.35;2.58;4946;DB00571;;CHEMBL27;GENER;EPAM;25;0;"ph = 7.4, <a href=https://www.ebi.ac.uk/chembl/assay_report_card/CHEMBL3374903/  target=_blank>CHEMBL3374903</a>";;;;;;;;;-5;;;;;;;;;;;;"Boland S, Alen J, Bourin A, Castermans K, Boumans N, Panitti L, Vanormelingen J, Leysen D, Defert O.: Novel Roflumilast analogs as soft PDE4 inhibitors. Bioorg Med Chem Lett, Volume 24 (18), 2014";ChEMBL
Propranolol;MM00085;CC(C)NCC(O)COc1cccc2ccccc12;AQHHHDLHHXJYJD-UHFFFAOYSA-N;259.35;2.58;4946;DB00571;;CHEMBL27;GENER;EPAM;25;0;"ph = 5, <a href=https://www.ebi.ac.uk/chembl/assay_report_card/CHEMBL3428736/  target=_blank>CHEMBL3428736</a>";;;;;;;;;-4.18;;;;;;;;;;;;"Wu Y, Hu M, Yang L, Li X, Bian J, Jiang F, Sun H, You Q, Zhang X.: Novel natural-product-like caged xanthones with improved druglike properties and in vivo antitumor potency. Bioorg Med Chem Lett, Volume 25 (12), 2015";ChEMBL
Propranolol;MM00085;CC(C)NCC(O)COc1cccc2ccccc12;AQHHHDLHHXJYJD-UHFFFAOYSA-N;259.35;2.58;4946;DB00571;;CHEMBL27;GENER;EPAM;25;0;"ph = 6.2, <a href=https://www.ebi.ac.uk/chembl/assay_report_card/CHEMBL3428917/  target=_blank>CHEMBL3428917</a>";;;;;;;;;-3.97;;;;;;;;;;;;"Wu Y, Hu M, Yang L, Li X, Bian J, Jiang F, Sun H, You Q, Zhang X.: Novel natural-product-like caged xanthones with improved druglike properties and in vivo antitumor potency. Bioorg Med Chem Lett, Volume 25 (12), 2015";ChEMBL
Propranolol;MM00085;CC(C)NCC(O)COc1cccc2ccccc12;AQHHHDLHHXJYJD-UHFFFAOYSA-N;259.35;2.58;4946;DB00571;;CHEMBL27;GENER;EPAM;25;0;"ph = 7.4, <a href=https://www.ebi.ac.uk/chembl/assay_report_card/CHEMBL3428918/  target=_blank>CHEMBL3428918</a>";;;;;;;;;-3.89;;;;;;;;;;;;"Wu Y, Hu M, Yang L, Li X, Bian J, Jiang F, Sun H, You Q, Zhang X.: Novel natural-product-like caged xanthones with improved druglike properties and in vivo antitumor potency. Bioorg Med Chem Lett, Volume 25 (12), 2015";ChEMBL
Propranolol;MM00085;CC(C)NCC(O)COc1cccc2ccccc12;AQHHHDLHHXJYJD-UHFFFAOYSA-N;259.35;2.58;4946;DB00571;;CHEMBL27;GENER;EPAM;25;0;"ph = 7.4, <a href=https://www.ebi.ac.uk/chembl/assay_report_card/CHEMBL4018083/  target=_blank>CHEMBL4018083</a>";;;;;;;;;-5.01;;;;;;;;;;;;"Botta L, Maccari G, Calandro P, Tiberi M, Brai A, Zamperini C, Canducci F, Chiariello M, Martí-Centelles R, Falomir E, Carda M.: One drug for two targets: Biological evaluation of antiretroviral agents endowed with antiproliferative activity. Bioorg Med Chem Lett, Volume 27 (11), 2017";ChEMBL
Propranolol;MM00085;CC(C)NCC(O)COc1cccc2ccccc12;AQHHHDLHHXJYJD-UHFFFAOYSA-N;259.35;2.58;4946;DB00571;;CHEMBL27;GENER;EPAM;25;0;"ph = 7.4, <a href=https://www.ebi.ac.uk/chembl/assay_report_card/CHEMBL1056608/  target=_blank>CHEMBL1056608</a>";;;;;;;;;-6.68;;;;;;;;;;;;"Dreassi E, Zizzari AT, Falchi F, Schenone S, Santucci A, Maga G, Botta M.: Determination of permeability and lipophilicity of pyrazolo-pyrimidine tyrosine kinase inhibitors and correlation with biological data. Eur J Med Chem, Volume 44 (9), 2009";ChEMBL
Propranolol;MM00085;CC(C)NCC(O)COc1cccc2ccccc12;AQHHHDLHHXJYJD-UHFFFAOYSA-N;259.35;2.58;4946;DB00571;;CHEMBL27;GENER;EPAM;25;0;"ph = 7.4, <a href=https://www.ebi.ac.uk/chembl/assay_report_card/CHEMBL3587134/  target=_blank>CHEMBL3587134</a>";;;;;;;;;-3.93;;;;;;;;;;;;"Xu LL, Zhu JF, Xu XL, Zhu J, Li L, Xi MY, Jiang ZY, Zhang MY, Liu F, Lu MC, Bao QC, Li Q, Zhang C, Wei JL, Zhang XJ, Zhang LS, You QD, Sun HP.: Discovery and Modification of in Vivo Active Nrf2 Activators with 1,2,4-Oxadiazole Core: Hits Identification and Structure-Activity Relationship Study. J Med Chem, Volume 58 (14), 2015";ChEMBL
Propranolol;MM00085;CC(C)NCC(O)COc1cccc2ccccc12;AQHHHDLHHXJYJD-UHFFFAOYSA-N;259.35;2.58;4946;DB00571;;CHEMBL27;GENER;EPAM;25;0;"ph = 6.5, <a href=https://www.ebi.ac.uk/chembl/assay_report_card/CHEMBL3996779/  target=_blank>CHEMBL3996779</a>";;;;;;;;;-4.4;;;;;;;;;;;;"Singh K, Okombo J, Brunschwig C, Ndubi F, Barnard L, Wilkinson C, Njogu PM, Njoroge M, Laing L, Machado M, Prudêncio M, Reader J, Botha M, Nondaba S, Birkholtz LM, Lauterbach S, Churchyard A, Coetzer TL, Burrows JN, Yeates C, Denti P, Wiesner L, Egan TJ, Wittlin S, Chibale K.: Antimalarial Pyrido[1,2-a]benzimidazoles: Lead Optimization, Parasite Life Cycle Stage Profile, Mechanistic Evaluation, Killing Kinetics, and in Vivo Oral Efficacy in a Mouse Model. J Med Chem, Volume 60 (4), 2017";ChEMBL
Propranolol;MM00085;CC(C)NCC(O)COc1cccc2ccccc12;AQHHHDLHHXJYJD-UHFFFAOYSA-N;259.35;2.58;4946;DB00571;;CHEMBL27;GENER;EPAM;25;0;"<a href=https://www.ebi.ac.uk/chembl/assay_report_card/CHEMBL4219886/  target=_blank>CHEMBL4219886</a>";;;;;;;;;-5.2;;;;;;;;;;;;"Soares P, Gadd MS, Frost J, Galdeano C, Ellis L, Epemolu O, Rocha S, Read KD, Ciulli A.: Group-Based Optimization of Potent and Cell-Active Inhibitors of the von Hippel-Lindau (VHL) E3 Ubiquitin Ligase: Structure-Activity Relationships Leading to the Chemical Probe (2S,4R)-1-((S)-2-(1-Cyanocyclopropanecarboxamido)-3,3-dimethylbutanoyl)-4-hydroxy-N-(4-(4-methylthiazol-5-yl)benzyl)pyrrolidine-2-carboxamide (VH298). J Med Chem, Volume 61 (2), 2018";ChEMBL
Propranolol;MM00085;CC(C)NCC(O)COc1cccc2ccccc12;AQHHHDLHHXJYJD-UHFFFAOYSA-N;259.35;2.58;4946;DB00571;;CHEMBL27;GENER;EPAM;25;0;"ph = 4, <a href=https://www.ebi.ac.uk/chembl/assay_report_card/CHEMBL4027134/  target=_blank>CHEMBL4027134</a>";;;;;;;;;-5.9;;;;;;;;;;;;"Joshi MC, Okombo J, Nsumiwa S, Ndove J, Taylor D, Wiesner L, Hunter R, Chibale K, Egan TJ.: 4-Aminoquinoline Antimalarials Containing a Benzylmethylpyridylmethylamine Group Are Active against Drug Resistant Plasmodium falciparum and Exhibit Oral Activity in Mice. J Med Chem, Volume 60 (24), 2017";ChEMBL
Propranolol;MM00085;CC(C)NCC(O)COc1cccc2ccccc12;AQHHHDLHHXJYJD-UHFFFAOYSA-N;259.35;2.58;4946;DB00571;;CHEMBL27;GENER;EPAM;25;0;"ph = 6.5, <a href=https://www.ebi.ac.uk/chembl/assay_report_card/CHEMBL4027135/  target=_blank>CHEMBL4027135</a>";;;;;;;;;-4.4;;;;;;;;;;;;"Joshi MC, Okombo J, Nsumiwa S, Ndove J, Taylor D, Wiesner L, Hunter R, Chibale K, Egan TJ.: 4-Aminoquinoline Antimalarials Containing a Benzylmethylpyridylmethylamine Group Are Active against Drug Resistant Plasmodium falciparum and Exhibit Oral Activity in Mice. J Med Chem, Volume 60 (24), 2017";ChEMBL
MM472365;MM472365;CC(C)Cc1cc(-c2ccc(CCNCC(O)c3ccccc3)cc2)ccc1C(=O)O;NCTDWZFQXDIUEY-SANMLTNESA-N;417.55;5.12;10002049;;;CHEMBL270026;GENER;EPAM;25;0;"ph = 6.5, <a href=https://www.ebi.ac.uk/chembl/assay_report_card/CHEMBL951213/  target=_blank>CHEMBL951213</a>";;;;;;;;;-4.59;;;;;;;;;;;;"Imanishi M, Tomishima Y, Itou S, Hamashima H, Nakajima Y, Washizuka K, Sakurai M, Matsui S, Imamura E, Ueshima K, Yamamoto T, Yamamoto N, Ishikawa H, Nakano K, Unami N, Hamada K, Matsumura Y, Takamura F, Hattori K.: Discovery of a novel series of biphenyl benzoic acid derivatives as potent and selective human beta3-adrenergic receptor agonists with good oral bioavailability. Part I. J Med Chem, Volume 51 (6), 2008";ChEMBL
MM471569;MM471569;Fc1ccc(CNc2ncnc3c2cnn3CC(Cl)c2ccc(F)cc2)cc1;VAORLJQUVFIABJ-UHFFFAOYSA-N;399.83;4.7;24807249;;;CHEMBL270286;GENER;EPAM;25;0;"ph = 7.4, <a href=https://www.ebi.ac.uk/chembl/assay_report_card/CHEMBL1775364/  target=_blank>CHEMBL1775364</a>";;;;;;;;;-4.96;;;;;;;;;;;;"Radi M, Dreassi E, Brullo C, Crespan E, Tintori C, Bernardo V, Valoti M, Zamperini C, Daigl H, Musumeci F, Carraro F, Naldini A, Filippi I, Maga G, Schenone S, Botta M.: Design, synthesis, biological activity, and ADME properties of pyrazolo[3,4-d]pyrimidines active in hypoxic human leukemia cells: a lead optimization study. J Med Chem, Volume 54 (8), 2011";ChEMBL
MM472894;MM472894;CCS(=O)(=O)CCN(C(=O)Cc1ccc(F)c(C(F)(F)F)c1)C(C)c1nc(C2CC2)cn1-c1ccc(C#N)cc1;DIIYNJJEHJXNPJ-GOSISDBHSA-N;576.62;5.35;44455565;;;CHEMBL270591;GENER;EPAM;25;0;"<a href=https://www.ebi.ac.uk/chembl/assay_report_card/CHEMBL932100/  target=_blank>CHEMBL932100</a>";;;;;;;;;-5.29;;;;;;;;;;;;"Du X, Chen X, Mihalic JT, Deignan J, Duquette J, Li AR, Lemon B, Ma J, Miao S, Ebsworth K, Sullivan TJ, Tonn G, Collins TL, Medina JC.: Design and optimization of imidazole derivatives as potent CXCR3 antagonists. Bioorg Med Chem Lett, Volume 18 (2), 2008";ChEMBL
MM472364;MM472364;CC(C)Sc1cc(-c2ccc(CCNCC(O)c3ccccc3)cc2)ccc1C(=O)O;FYONCJXSNAVJFY-DEOSSOPVSA-N;435.59;5.42;11453340;;;CHEMBL271574;GENER;EPAM;25;0;"ph = 6.5, <a href=https://www.ebi.ac.uk/chembl/assay_report_card/CHEMBL951213/  target=_blank>CHEMBL951213</a>";;;;;;;;;-5;;;;;;;;;;;;"Imanishi M, Tomishima Y, Itou S, Hamashima H, Nakajima Y, Washizuka K, Sakurai M, Matsui S, Imamura E, Ueshima K, Yamamoto T, Yamamoto N, Ishikawa H, Nakano K, Unami N, Hamada K, Matsumura Y, Takamura F, Hattori K.: Discovery of a novel series of biphenyl benzoic acid derivatives as potent and selective human beta3-adrenergic receptor agonists with good oral bioavailability. Part I. J Med Chem, Volume 51 (6), 2008";ChEMBL
MM472366;MM472366;CC(C)Oc1cc(-c2ccc(CCNCC(O)c3ccccc3)cc2)ccc1C(=O)O;PZOXHDZLMHAWOO-DEOSSOPVSA-N;419.52;4.7;24822974;;;CHEMBL271945;GENER;EPAM;25;0;"ph = 6.5, <a href=https://www.ebi.ac.uk/chembl/assay_report_card/CHEMBL951213/  target=_blank>CHEMBL951213</a>";;;;;;;;;-4.74;;;;;;;;;;;;"Imanishi M, Tomishima Y, Itou S, Hamashima H, Nakajima Y, Washizuka K, Sakurai M, Matsui S, Imamura E, Ueshima K, Yamamoto T, Yamamoto N, Ishikawa H, Nakano K, Unami N, Hamada K, Matsumura Y, Takamura F, Hattori K.: Discovery of a novel series of biphenyl benzoic acid derivatives as potent and selective human beta3-adrenergic receptor agonists with good oral bioavailability. Part I. J Med Chem, Volume 51 (6), 2008";ChEMBL
MM472363;MM472363;COc1cc(-c2ccc(CCNCC(O)c3cccc(Cl)c3)cc2)ccc1C(=O)O;IBPCNRNTIRZRJZ-QFIPXVFZSA-N;425.91;4.58;10048077;;;CHEMBL272383;GENER;EPAM;25;0;"ph = 6.5, <a href=https://www.ebi.ac.uk/chembl/assay_report_card/CHEMBL951213/  target=_blank>CHEMBL951213</a>";;;;;;;;;-5.48;;;;;;;;;;;;"Imanishi M, Tomishima Y, Itou S, Hamashima H, Nakajima Y, Washizuka K, Sakurai M, Matsui S, Imamura E, Ueshima K, Yamamoto T, Yamamoto N, Ishikawa H, Nakano K, Unami N, Hamada K, Matsumura Y, Takamura F, Hattori K.: Discovery of a novel series of biphenyl benzoic acid derivatives as potent and selective human beta3-adrenergic receptor agonists with good oral bioavailability. Part I. J Med Chem, Volume 51 (6), 2008";ChEMBL
Chembl272493;MM469685;CNCc1cc(C(=O)N(C)C)ccc1Oc1ccc(Cl)cc1C;PCZHCTVLCPQAAL-UHFFFAOYSA-N;332.83;3.86;44455620;;;CHEMBL272493;GENER;EPAM;25;0;"<a href=https://www.ebi.ac.uk/chembl/assay_report_card/CHEMBL948901/  target=_blank>CHEMBL948901</a>";;;;;;;;;-4.72;;;;;;;;;;;;"Whitlock GA, Blagg J, Fish PV.: 1-(2-Phenoxyphenyl)methanamines: SAR for dual serotonin/noradrenaline reuptake inhibition, metabolic stability and hERG affinity. Bioorg Med Chem Lett, Volume 18 (2), 2008";ChEMBL
MM471999;MM471999;CC(=O)N(O)CCc1ccccc1;HMPMPDUKHGMZEE-UHFFFAOYSA-N;179.22;1.47;44272174;;;CHEMBL275138;GENER;EPAM;25;0;"ph = 7.4, <a href=https://www.ebi.ac.uk/chembl/assay_report_card/CHEMBL3801192/  target=_blank>CHEMBL3801192</a>";;;;;;;;;-5.34;;;;;;;;;;;;"Lassalas P, Gay B, Lasfargeas C, James MJ, Tran V, Vijayendran KG, Brunden KR, Kozlowski MC, Thomas CJ, Smith AB, Huryn DM, Ballatore C.: Structure Property Relationships of Carboxylic Acid Isosteres. J Med Chem, Volume 59 (7), 2016";ChEMBL
Antipyrine;MM00333;Cc1cc(=O)n(-c2ccccc2)n1C;VEQOALNAAJBPNY-UHFFFAOYSA-N;188.23;1.48;2206;DB01435;;CHEMBL277474;GENER;EPAM;25;0;"<a href=https://www.ebi.ac.uk/chembl/assay_report_card/CHEMBL902035/  target=_blank>CHEMBL902035</a>";;;;;;;;;-5.93;;;;;;;;;;;;"Chatterjee J, Ovadia O, Zahn G, Marinelli L, Hoffman A, Gilon C, Kessler H.: Multiple N-methylation by a designed approach enhances receptor selectivity. J Med Chem, Volume 50 (24), 2007";ChEMBL
MM471790;MM471790;CSc1nc(NCc2ccccc2)c2cnn(CC(Cl)c3ccccc3)c2n1;VRYGLOHNGHJHFM-UHFFFAOYSA-N;409.95;5.14;;;;;GENER;EPAM;25;0;"ph = 7.4, <a href=https://www.ebi.ac.uk/chembl/assay_report_card/CHEMBL1056608/  target=_blank>CHEMBL1056608</a>";;;;;;;;;-5.4;;;;;;;;;;;;"Dreassi E, Zizzari AT, Falchi F, Schenone S, Santucci A, Maga G, Botta M.: Determination of permeability and lipophilicity of pyrazolo-pyrimidine tyrosine kinase inhibitors and correlation with biological data. Eur J Med Chem, Volume 44 (9), 2009";ChEMBL
MM471793;MM471793;CSc1nc(NCCc2ccccc2)c2cnn(CC(Cl)c3ccccc3)c2n1;;423.97;5.18;10320122;;;CHEMBL289125;GENER;EPAM;25;0;"ph = 7.4, <a href=https://www.ebi.ac.uk/chembl/assay_report_card/CHEMBL1056608/  target=_blank>CHEMBL1056608</a>";;;;;;;;;-5.59;;;;;;;;;;;;"Dreassi E, Zizzari AT, Falchi F, Schenone S, Santucci A, Maga G, Botta M.: Determination of permeability and lipophilicity of pyrazolo-pyrimidine tyrosine kinase inhibitors and correlation with biological data. Eur J Med Chem, Volume 44 (9), 2009";ChEMBL
MM471793;MM471793;CSc1nc(NCCc2ccccc2)c2cnn(CC(Cl)c3ccccc3)c2n1;;423.97;5.18;10320122;;;CHEMBL289125;GENER;EPAM;25;0;"<a href=https://www.ebi.ac.uk/chembl/assay_report_card/CHEMBL4013498/  target=_blank>CHEMBL4013498</a>";;;;;;;;;-5.13;;;;;;;;;;;;"Vignaroli G, Iovenitti G, Zamperini C, Coniglio F, Calandro P, Molinari A, Fallacara AL, Sartucci A, Calgani A, Colecchia D, Mancini A, Festuccia C, Dreassi E, Valoti M, Musumeci F, Chiariello M, Angelucci A, Botta M, Schenone S.: Prodrugs of Pyrazolo[3,4-d]pyrimidines: From Library Synthesis to Evaluation as Potential Anticancer Agents in an Orthotopic Glioblastoma Model. J Med Chem, Volume 60 (14), 2017";ChEMBL
MM471072;MM471072;CN1C(=O)C(c2ccccc2)(c2ccccc2)N=C1N;RNWLAFWLSSMCLN-UHFFFAOYSA-N;265.32;1.72;;;;;GENER;EPAM;25;0;"<a href=https://www.ebi.ac.uk/chembl/assay_report_card/CHEMBL1042919/  target=_blank>CHEMBL1042919</a>";;;;;;;;;-5.52;;;;;;;;;;;;"Nowak P, Cole DC, Aulabaugh A, Bard J, Chopra R, Cowling R, Fan KY, Hu B, Jacobsen S, Jani M, Jin G, Lo MC, Malamas MS, Manas ES, Narasimhan R, Reinhart P, Robichaud AJ, Stock JR, Subrath J, Svenson K, Turner J, Wagner E, Zhou P, Ellingboe JW.: Discovery and initial optimization of 5,5'-disubstituted aminohydantoins as potent beta-secretase (BACE1) inhibitors. Bioorg Med Chem Lett, Volume 20 (2), 2010";ChEMBL
MM471686;MM471686;CC1=C(O)C(=O)C=C2C1=CC=C1C2(C)CCC2(C)C3CC(C)(C(=O)O)CCC3(C)CCC12C;KQJSQWZMSAGSHN-JJWQIEBTSA-N;450.62;6.7;122724;;;CHEMBL301982;GENER;EPAM;25;0;"ph = 7.4, <a href=https://www.ebi.ac.uk/chembl/assay_report_card/CHEMBL3861292/  target=_blank>CHEMBL3861292</a>";;;;;;;;;-4.88;;;;;;;;;;;;"Jiang F, Wang HJ, Bao QC, Wang L, Jin YH, Zhang Q, Jiang D, You QD, Xu XL.: Optimization and biological evaluation of celastrol derivatives as Hsp90-Cdc37 interaction disruptors with improved druglike properties. Bioorg Med Chem, Volume 24 (21), 2016";ChEMBL
MM474034;MM474034;Cc1c(Cc2cccc(NS(=O)(=O)N3CCN(C)CC3)c2)c(=O)oc2cc(OC(=O)N(C)C)c(Cl)cc12;XRTVFJCRUVMBFK-UHFFFAOYSA-N;549.05;3.31;59139161;;;CHEMBL3086076;GENER;EPAM;25;0;"<a href=https://www.ebi.ac.uk/chembl/assay_report_card/CHEMBL3090632/  target=_blank>CHEMBL3090632</a>";;;;;;;;;-5.7;;;;;;;;;;;;"Aoki T, Hyohdoh I, Furuichi N, Ozawa S, Watanabe F, Matsushita M, Sakaitani M, Ori K, Takanashi K, Harada N, Tomii Y, Tabo M, Yoshinari K, Aoki Y, Shimma N, Iikura H.: The sulfamide moiety affords higher inhibitory activity and oral bioavailability to a series of coumarin dual selective RAF/MEK inhibitors. Bioorg Med Chem Lett, Volume 23 (23), 2013";ChEMBL
MM472195;MM472195;c1ccc(CNCCCCN(CC2Cc3ccccc3CN2)C2CCCc3cccnc32)nc1;;455.65;4.44;76324529;;;CHEMBL3091683;GENER;EPAM;25;0;"ph = 5.5, <a href=https://www.ebi.ac.uk/chembl/assay_report_card/CHEMBL4059169/  target=_blank>CHEMBL4059169</a>";;;;;;;;;-5.24;;;;;;;;;;;;"Miller EJ, Jecs E, Truax VM, Katzman BM, Tahirovic YA, Wilson RJ, Kuo KM, Kim MB, Nguyen HH, Saindane MT, Zhao H, Wang T, Sum CS, Cvijic ME, Schroeder GM, Wilson LJ, Liotta DC.: Discovery of Tetrahydroisoquinoline-Containing CXCR4 Antagonists with Improved in Vitro ADMET Properties. J Med Chem, Volume 61 (3), 2018";ChEMBL
MM472195;MM472195;c1ccc(CNCCCCN(CC2Cc3ccccc3CN2)C2CCCc3cccnc32)nc1;;455.65;4.44;76324529;;;CHEMBL3091683;GENER;EPAM;25;0;"ph = 7.4, <a href=https://www.ebi.ac.uk/chembl/assay_report_card/CHEMBL4059168/  target=_blank>CHEMBL4059168</a>";;;;;;;;;-4.96;;;;;;;;;;;;"Miller EJ, Jecs E, Truax VM, Katzman BM, Tahirovic YA, Wilson RJ, Kuo KM, Kim MB, Nguyen HH, Saindane MT, Zhao H, Wang T, Sum CS, Cvijic ME, Schroeder GM, Wilson LJ, Liotta DC.: Discovery of Tetrahydroisoquinoline-Containing CXCR4 Antagonists with Improved in Vitro ADMET Properties. J Med Chem, Volume 61 (3), 2018";ChEMBL
MM472478;MM472478;NCCCCN(CC1Cc2ccccc2CN1)C1CCCc2cccnc21;MYCKNKHATQGHEV-YADHBBJMSA-N;364.54;3.21;57345320;;;CHEMBL3091687;GENER;EPAM;25;0;"ph = 5.5, <a href=https://www.ebi.ac.uk/chembl/assay_report_card/CHEMBL4059169/  target=_blank>CHEMBL4059169</a>";;;;;;;;;-6.22;;;;;;;;;;;;"Miller EJ, Jecs E, Truax VM, Katzman BM, Tahirovic YA, Wilson RJ, Kuo KM, Kim MB, Nguyen HH, Saindane MT, Zhao H, Wang T, Sum CS, Cvijic ME, Schroeder GM, Wilson LJ, Liotta DC.: Discovery of Tetrahydroisoquinoline-Containing CXCR4 Antagonists with Improved in Vitro ADMET Properties. J Med Chem, Volume 61 (3), 2018";ChEMBL
MM472413;MM472413;CNS(=O)(=O)Nc1cccc(Cc2c(C)c3ccc(Oc4nccs4)cc3oc2=O)c1F;OBWSQVNHYDMKLU-UHFFFAOYSA-N;475.52;3.96;24753973;;;CHEMBL3092176;GENER;EPAM;25;0;"ph = 6.5, <a href=https://www.ebi.ac.uk/chembl/assay_report_card/CHEMBL3096353/  target=_blank>CHEMBL3096353</a>";;;;;;;;;-5.52;;;;;;;;;;;;"Hyohdoh I, Furuichi N, Aoki T, Itezono Y, Shirai H, Ozawa S, Watanabe F, Matsushita M, Sakaitani M, Ho PS, Takanashi K, Harada N, Tomii Y, Yoshinari K, Ori K, Tabo M, Aoki Y, Shimma N, Iikura H.: Fluorine Scanning by Nonselective Fluorination: Enhancing Raf/MEK Inhibition while Keeping Physicochemical Properties. ACS Med Chem Lett, Volume 4 (11), 2013";ChEMBL
MM472418;MM472418;CNS(=O)(=O)Nc1cccc(Cc2c(C)c3cc(C)c(OC(=O)N(C)C)cc3oc2=O)c1;RCDMARDJTWRNQN-UHFFFAOYSA-N;459.52;2.94;59139106;;;CHEMBL3092179;GENER;EPAM;25;0;"ph = 6.5, <a href=https://www.ebi.ac.uk/chembl/assay_report_card/CHEMBL3267835/  target=_blank>CHEMBL3267835</a>";;;;;;;;;-5.4;;;;;;;;;;;;"Aoki T, Hyohdoh I, Furuichi N, Ozawa S, Watanabe F, Matsushita M, Sakaitani M, Morikami K, Takanashi K, Harada N, Tomii Y, Shiraki K, Furumoto K, Tabo M, Yoshinari K, Ori K, Aoki Y, Shimma N, Iikura H.: Optimizing the Physicochemical Properties of Raf/MEK Inhibitors by Nitrogen Scanning. ACS Med Chem Lett, Volume 5 (4), 2014";ChEMBL
MM472405;MM472405;Cc1c(Cc2cccc(NS(N)(=O)=O)c2)c(=O)oc2cc(OC(=O)N(C)C)ccc12;RDHJQMGXZQRIBK-UHFFFAOYSA-N;431.47;2.37;24753410;;;CHEMBL3092182;GENER;EPAM;25;0;"ph = 6.5, <a href=https://www.ebi.ac.uk/chembl/assay_report_card/CHEMBL3096353/  target=_blank>CHEMBL3096353</a>";;;;;;;;;-5.22;;;;;;;;;;;;"Hyohdoh I, Furuichi N, Aoki T, Itezono Y, Shirai H, Ozawa S, Watanabe F, Matsushita M, Sakaitani M, Ho PS, Takanashi K, Harada N, Tomii Y, Yoshinari K, Ori K, Tabo M, Aoki Y, Shimma N, Iikura H.: Fluorine Scanning by Nonselective Fluorination: Enhancing Raf/MEK Inhibition while Keeping Physicochemical Properties. ACS Med Chem Lett, Volume 4 (11), 2013";ChEMBL
MM472410;MM472410;Cc1c(Cc2cc(NS(N)(=O)=O)ccc2F)c(=O)oc2cc(OC(=O)N(C)C)ccc12;REJHULCFUPQXSV-UHFFFAOYSA-N;449.46;2.51;59139388;;;CHEMBL3092183;GENER;EPAM;25;0;"ph = 6.5, <a href=https://www.ebi.ac.uk/chembl/assay_report_card/CHEMBL3096353/  target=_blank>CHEMBL3096353</a>";;;;;;;;;-5.3;;;;;;;;;;;;"Hyohdoh I, Furuichi N, Aoki T, Itezono Y, Shirai H, Ozawa S, Watanabe F, Matsushita M, Sakaitani M, Ho PS, Takanashi K, Harada N, Tomii Y, Yoshinari K, Ori K, Tabo M, Aoki Y, Shimma N, Iikura H.: Fluorine Scanning by Nonselective Fluorination: Enhancing Raf/MEK Inhibition while Keeping Physicochemical Properties. ACS Med Chem Lett, Volume 4 (11), 2013";ChEMBL
MM472404;MM472404;Cc1c(Cc2ccc(F)c(NS(N)(=O)=O)c2)c(=O)oc2cc(OC(=O)N(C)C)ccc12;TUPTVEGTTLLDFT-UHFFFAOYSA-N;449.46;2.51;59139228;;;CHEMBL3092184;GENER;EPAM;25;0;"ph = 6.5, <a href=https://www.ebi.ac.uk/chembl/assay_report_card/CHEMBL3096353/  target=_blank>CHEMBL3096353</a>";;;;;;;;;-5.22;;;;;;;;;;;;"Hyohdoh I, Furuichi N, Aoki T, Itezono Y, Shirai H, Ozawa S, Watanabe F, Matsushita M, Sakaitani M, Ho PS, Takanashi K, Harada N, Tomii Y, Yoshinari K, Ori K, Tabo M, Aoki Y, Shimma N, Iikura H.: Fluorine Scanning by Nonselective Fluorination: Enhancing Raf/MEK Inhibition while Keeping Physicochemical Properties. ACS Med Chem Lett, Volume 4 (11), 2013";ChEMBL
MM472403;MM472403;Cc1c(Cc2cccc(NS(N)(=O)=O)c2F)c(=O)oc2cc(OC(=O)N(C)C)ccc12;WECQTIGBRIQMEY-UHFFFAOYSA-N;449.46;2.51;24753409;;;CHEMBL3092185;GENER;EPAM;25;0;"ph = 6.5, <a href=https://www.ebi.ac.uk/chembl/assay_report_card/CHEMBL3096353/  target=_blank>CHEMBL3096353</a>";;;;;;;;;-5.22;;;;;;;;;;;;"Hyohdoh I, Furuichi N, Aoki T, Itezono Y, Shirai H, Ozawa S, Watanabe F, Matsushita M, Sakaitani M, Ho PS, Takanashi K, Harada N, Tomii Y, Yoshinari K, Ori K, Tabo M, Aoki Y, Shimma N, Iikura H.: Fluorine Scanning by Nonselective Fluorination: Enhancing Raf/MEK Inhibition while Keeping Physicochemical Properties. ACS Med Chem Lett, Volume 4 (11), 2013";ChEMBL
MM472409;MM472409;Cc1c(Cc2cccc(NS(N)(=O)=O)c2)c(=O)oc2cc(OC(=O)N(C)C)c(F)cc12;YHLSUBLOJXHKMY-UHFFFAOYSA-N;449.46;2.51;24753411;;;CHEMBL3092186;GENER;EPAM;25;0;"ph = 6.5, <a href=https://www.ebi.ac.uk/chembl/assay_report_card/CHEMBL3096353/  target=_blank>CHEMBL3096353</a>";;;;;;;;;-5.3;;;;;;;;;;;;"Hyohdoh I, Furuichi N, Aoki T, Itezono Y, Shirai H, Ozawa S, Watanabe F, Matsushita M, Sakaitani M, Ho PS, Takanashi K, Harada N, Tomii Y, Yoshinari K, Ori K, Tabo M, Aoki Y, Shimma N, Iikura H.: Fluorine Scanning by Nonselective Fluorination: Enhancing Raf/MEK Inhibition while Keeping Physicochemical Properties. ACS Med Chem Lett, Volume 4 (11), 2013";ChEMBL
Metoprolol;MM00275;COCCc1ccc(OCC(O)CNC(C)C)cc1;IUBSYMUCCVWXPE-UHFFFAOYSA-N;267.37;1.61;4171;DB00264;;CHEMBL13;GENER;EPAM;25;0;"<a href=https://www.ebi.ac.uk/chembl/assay_report_card/CHEMBL1769838/  target=_blank>CHEMBL1769838</a>";;;;;;;;;-5.49;;;;;;;;;;;;"Flaten GE, Kottra G, Stensen W, Isaksen G, Karstad R, Svendsen JS, Daniel H, Svenson J.: In vitro characterization of human peptide transporter hPEPT1 interactions and passive permeation studies of short cationic antimicrobial peptides. J Med Chem, Volume 54 (7), 2011";ChEMBL
MM472412;MM472412;CN(C)C(=O)Oc1ccc2c(CF)c(Cc3cccc(NS(N)(=O)=O)c3)c(=O)oc2c1;FXXREISGAMJGMI-UHFFFAOYSA-N;449.46;2.53;24753603;;;CHEMBL3092188;GENER;EPAM;25;0;"ph = 6.5, <a href=https://www.ebi.ac.uk/chembl/assay_report_card/CHEMBL3096353/  target=_blank>CHEMBL3096353</a>";;;;;;;;;-5.4;;;;;;;;;;;;"Hyohdoh I, Furuichi N, Aoki T, Itezono Y, Shirai H, Ozawa S, Watanabe F, Matsushita M, Sakaitani M, Ho PS, Takanashi K, Harada N, Tomii Y, Yoshinari K, Ori K, Tabo M, Aoki Y, Shimma N, Iikura H.: Fluorine Scanning by Nonselective Fluorination: Enhancing Raf/MEK Inhibition while Keeping Physicochemical Properties. ACS Med Chem Lett, Volume 4 (11), 2013";ChEMBL
Chloramphenicol;MM00342;O=C(NC(CO)C(O)c1ccc([N+](=O)[O-])cc1)C(Cl)Cl;WIIZWVCIJKGZOK-UHFFFAOYSA-N;323.13;0.91;5959;DB00446;CLM;CHEMBL130;GENER;EPAM;25;+1,-1;"ph = 10, <a href=https://www.ebi.ac.uk/chembl/assay_report_card/CHEMBL3386379/  target=_blank>CHEMBL3386379</a>";;;;;;;;;-7.24;;;;;;;;;;;;"Maccari G, Sanfilippo S, De Luca F, Deodato D, Casian A, Dasso Lang MC, Zamperini C, Dreassi E, Rossolini GM, Docquier JD, Botta M.: Synthesis of linear and cyclic guazatine derivatives endowed with antibacterial activity. Bioorg Med Chem Lett, Volume 24 (23), 2014";ChEMBL
MM472402;MM472402;CNS(=O)(=O)Nc1cccc(Cc2c(C)c3ccc(OC(=O)N(C)C)cc3oc2=O)c1;;445.5;2.63;24753607;;;CHEMBL3092189;GENER;EPAM;25;0;"ph = 6.5, <a href=https://www.ebi.ac.uk/chembl/assay_report_card/CHEMBL3096353/  target=_blank>CHEMBL3096353</a>";;;;;;;;;-5.22;;;;;;;;;;;;"Hyohdoh I, Furuichi N, Aoki T, Itezono Y, Shirai H, Ozawa S, Watanabe F, Matsushita M, Sakaitani M, Ho PS, Takanashi K, Harada N, Tomii Y, Yoshinari K, Ori K, Tabo M, Aoki Y, Shimma N, Iikura H.: Fluorine Scanning by Nonselective Fluorination: Enhancing Raf/MEK Inhibition while Keeping Physicochemical Properties. ACS Med Chem Lett, Volume 4 (11), 2013";ChEMBL
Chloramphenicol;MM00342;O=C(NC(CO)C(O)c1ccc([N+](=O)[O-])cc1)C(Cl)Cl;WIIZWVCIJKGZOK-UHFFFAOYSA-N;323.13;0.91;5959;DB00446;CLM;CHEMBL130;GENER;EPAM;25;+1,-1;"ph = 7.4, <a href=https://www.ebi.ac.uk/chembl/assay_report_card/CHEMBL3386378/  target=_blank>CHEMBL3386378</a>";;;;;;;;;-7.52;;;;;;;;;;;;"Maccari G, Sanfilippo S, De Luca F, Deodato D, Casian A, Dasso Lang MC, Zamperini C, Dreassi E, Rossolini GM, Docquier JD, Botta M.: Synthesis of linear and cyclic guazatine derivatives endowed with antibacterial activity. Bioorg Med Chem Lett, Volume 24 (23), 2014";ChEMBL
MM472402;MM472402;CNS(=O)(=O)Nc1cccc(Cc2c(C)c3ccc(OC(=O)N(C)C)cc3oc2=O)c1;;445.5;2.63;24753607;;;CHEMBL3092189;GENER;EPAM;25;0;"ph = 6.5, <a href=https://www.ebi.ac.uk/chembl/assay_report_card/CHEMBL3267835/  target=_blank>CHEMBL3267835</a>";;;;;;;;;-5.22;;;;;;;;;;;;"Aoki T, Hyohdoh I, Furuichi N, Ozawa S, Watanabe F, Matsushita M, Sakaitani M, Morikami K, Takanashi K, Harada N, Tomii Y, Shiraki K, Furumoto K, Tabo M, Yoshinari K, Ori K, Aoki Y, Shimma N, Iikura H.: Optimizing the Physicochemical Properties of Raf/MEK Inhibitors by Nitrogen Scanning. ACS Med Chem Lett, Volume 5 (4), 2014";ChEMBL
Chloramphenicol;MM00342;O=C(NC(CO)C(O)c1ccc([N+](=O)[O-])cc1)C(Cl)Cl;WIIZWVCIJKGZOK-UHFFFAOYSA-N;323.13;0.91;5959;DB00446;CLM;CHEMBL130;GENER;EPAM;25;+1,-1;"ph = 7.4, <a href=https://www.ebi.ac.uk/chembl/assay_report_card/CHEMBL1056608/  target=_blank>CHEMBL1056608</a>";;;;;;;;;-7.04;;;;;;;;;;;;"Dreassi E, Zizzari AT, Falchi F, Schenone S, Santucci A, Maga G, Botta M.: Determination of permeability and lipophilicity of pyrazolo-pyrimidine tyrosine kinase inhibitors and correlation with biological data. Eur J Med Chem, Volume 44 (9), 2009";ChEMBL
MM472408;MM472408;CNS(=O)(=O)Nc1ccc(F)c(Cc2c(C)c3ccc(OC(=O)N(C)C)cc3oc2=O)c1;ASVQDZPAQOXEJI-UHFFFAOYSA-N;463.49;2.77;59139202;;;CHEMBL3092190;GENER;EPAM;25;0;"ph = 6.5, <a href=https://www.ebi.ac.uk/chembl/assay_report_card/CHEMBL3096353/  target=_blank>CHEMBL3096353</a>";;;;;;;;;-5.3;;;;;;;;;;;;"Hyohdoh I, Furuichi N, Aoki T, Itezono Y, Shirai H, Ozawa S, Watanabe F, Matsushita M, Sakaitani M, Ho PS, Takanashi K, Harada N, Tomii Y, Yoshinari K, Ori K, Tabo M, Aoki Y, Shimma N, Iikura H.: Fluorine Scanning by Nonselective Fluorination: Enhancing Raf/MEK Inhibition while Keeping Physicochemical Properties. ACS Med Chem Lett, Volume 4 (11), 2013";ChEMBL
Chloramphenicol;MM00342;O=C(NC(CO)C(O)c1ccc([N+](=O)[O-])cc1)C(Cl)Cl;WIIZWVCIJKGZOK-UHFFFAOYSA-N;323.13;0.91;5959;DB00446;CLM;CHEMBL130;GENER;EPAM;25;+1,-1;"<a href=https://www.ebi.ac.uk/chembl/assay_report_card/CHEMBL4310211/  target=_blank>CHEMBL4310211</a>";;;;;;;;;-6.52;;;;;;;;;;;;"Pasero C, D'Agostino I, De Luca F, Zamperini C, Deodato D, Truglio GI, Sannio F, Del Prete R, Ferraro T, Visaggio D, Mancini A, Guglielmi MB, Visca P, Docquier JD, Botta M.: Alkyl-guanidine Compounds as Potent Broad-Spectrum Antibacterial Agents: Chemical Library Extension and Biological Characterization. J Med Chem, Volume 61 (20), 2018";ChEMBL
MM472407;MM472407;CNS(=O)(=O)Nc1cccc(Cc2c(C)c3ccc(OC(=O)N(C)C)cc3oc2=O)c1F;YNVNIRFMFCJWSQ-UHFFFAOYSA-N;463.49;2.77;24753784;;;CHEMBL3092191;GENER;EPAM;25;0;"ph = 6.5, <a href=https://www.ebi.ac.uk/chembl/assay_report_card/CHEMBL3096353/  target=_blank>CHEMBL3096353</a>";;;;;;;;;-5.3;;;;;;;;;;;;"Hyohdoh I, Furuichi N, Aoki T, Itezono Y, Shirai H, Ozawa S, Watanabe F, Matsushita M, Sakaitani M, Ho PS, Takanashi K, Harada N, Tomii Y, Yoshinari K, Ori K, Tabo M, Aoki Y, Shimma N, Iikura H.: Fluorine Scanning by Nonselective Fluorination: Enhancing Raf/MEK Inhibition while Keeping Physicochemical Properties. ACS Med Chem Lett, Volume 4 (11), 2013";ChEMBL
MM472406;MM472406;CNS(=O)(=O)Nc1cccc(Cc2c(C)c3cc(F)c(OC(=O)N(C)C)cc3oc2=O)c1;OSMXIWIVFANEIY-UHFFFAOYSA-N;463.49;2.77;24753694;;;CHEMBL3092192;GENER;EPAM;25;0;"ph = 6.5, <a href=https://www.ebi.ac.uk/chembl/assay_report_card/CHEMBL3096353/  target=_blank>CHEMBL3096353</a>";;;;;;;;;-5.3;;;;;;;;;;;;"Hyohdoh I, Furuichi N, Aoki T, Itezono Y, Shirai H, Ozawa S, Watanabe F, Matsushita M, Sakaitani M, Ho PS, Takanashi K, Harada N, Tomii Y, Yoshinari K, Ori K, Tabo M, Aoki Y, Shimma N, Iikura H.: Fluorine Scanning by Nonselective Fluorination: Enhancing Raf/MEK Inhibition while Keeping Physicochemical Properties. ACS Med Chem Lett, Volume 4 (11), 2013";ChEMBL
MM472411;MM472411;CNS(=O)(=O)Nc1cccc(Cc2c(CF)c3ccc(OC(=O)N(C)C)cc3oc2=O)c1;BVZSCIBPDJIGSJ-UHFFFAOYSA-N;463.49;2.79;24753877;;;CHEMBL3092193;GENER;EPAM;25;0;"ph = 6.5, <a href=https://www.ebi.ac.uk/chembl/assay_report_card/CHEMBL3096353/  target=_blank>CHEMBL3096353</a>";;;;;;;;;-5.4;;;;;;;;;;;;"Hyohdoh I, Furuichi N, Aoki T, Itezono Y, Shirai H, Ozawa S, Watanabe F, Matsushita M, Sakaitani M, Ho PS, Takanashi K, Harada N, Tomii Y, Yoshinari K, Ori K, Tabo M, Aoki Y, Shimma N, Iikura H.: Fluorine Scanning by Nonselective Fluorination: Enhancing Raf/MEK Inhibition while Keeping Physicochemical Properties. ACS Med Chem Lett, Volume 4 (11), 2013";ChEMBL
MM472401;MM472401;CNS(=O)(=O)Nc1cccc(Cc2c(C)c3ccc(Oc4ncccn4)cc3oc2=O)c1;COQNCPVGLFUJMF-UHFFFAOYSA-N;452.49;3.15;58102283;;;CHEMBL3092194;GENER;EPAM;25;0;"ph = 6.5, <a href=https://www.ebi.ac.uk/chembl/assay_report_card/CHEMBL3096353/  target=_blank>CHEMBL3096353</a>";;;;;;;;;-5.22;;;;;;;;;;;;"Hyohdoh I, Furuichi N, Aoki T, Itezono Y, Shirai H, Ozawa S, Watanabe F, Matsushita M, Sakaitani M, Ho PS, Takanashi K, Harada N, Tomii Y, Yoshinari K, Ori K, Tabo M, Aoki Y, Shimma N, Iikura H.: Fluorine Scanning by Nonselective Fluorination: Enhancing Raf/MEK Inhibition while Keeping Physicochemical Properties. ACS Med Chem Lett, Volume 4 (11), 2013";ChEMBL
MM472400;MM472400;CNS(=O)(=O)Nc1cccc(Cc2c(C)c3ccc(Oc4ncccn4)cc3oc2=O)c1F;XONVFTCAGXZIPY-UHFFFAOYSA-N;470.48;3.29;24753878;;;CHEMBL3092195;GENER;EPAM;25;0;"ph = 6.5, <a href=https://www.ebi.ac.uk/chembl/assay_report_card/CHEMBL3096353/  target=_blank>CHEMBL3096353</a>";;;;;;;;;-5.22;;;;;;;;;;;;"Hyohdoh I, Furuichi N, Aoki T, Itezono Y, Shirai H, Ozawa S, Watanabe F, Matsushita M, Sakaitani M, Ho PS, Takanashi K, Harada N, Tomii Y, Yoshinari K, Ori K, Tabo M, Aoki Y, Shimma N, Iikura H.: Fluorine Scanning by Nonselective Fluorination: Enhancing Raf/MEK Inhibition while Keeping Physicochemical Properties. ACS Med Chem Lett, Volume 4 (11), 2013";ChEMBL
MM472414;MM472414;CNS(=O)(=O)Nc1cccc(Cc2c(C)c3ccc(Oc4nccs4)cc3oc2=O)c1;JZFTVHHQZQBGHT-UHFFFAOYSA-N;457.53;3.82;24753971;;;CHEMBL3092196;GENER;EPAM;25;0;"ph = 6.5, <a href=https://www.ebi.ac.uk/chembl/assay_report_card/CHEMBL3096353/  target=_blank>CHEMBL3096353</a>";;;;;;;;;-5.7;;;;;;;;;;;;"Hyohdoh I, Furuichi N, Aoki T, Itezono Y, Shirai H, Ozawa S, Watanabe F, Matsushita M, Sakaitani M, Ho PS, Takanashi K, Harada N, Tomii Y, Yoshinari K, Ori K, Tabo M, Aoki Y, Shimma N, Iikura H.: Fluorine Scanning by Nonselective Fluorination: Enhancing Raf/MEK Inhibition while Keeping Physicochemical Properties. ACS Med Chem Lett, Volume 4 (11), 2013";ChEMBL
MM474446;MM474446;CN1Cc2cccc(Oc3ncccc3NC(=O)Nc3ccc(OC(F)(F)F)cc3)c2C1C(C)(C)C;GHKPMDDCMGRGGC-UHFFFAOYSA-N;500.52;6.95;73671602;;;CHEMBL3092629;GENER;EPAM;25;0;"<a href=https://www.ebi.ac.uk/chembl/assay_report_card/CHEMBL3096011/  target=_blank>CHEMBL3096011</a>";;;;;;;;;-4.11;;;;;;;;;;;;"Ruel R, L'Heureux A, Thibeault C, Lapointe P, Martel A, Qiao JX, Hua J, Price LA, Wu Q, Chang M, Zheng J, Huang CS, Wexler RR, Rehfuss R, Lam PY.: Potent P2Y1 urea antagonists bearing various cyclic amine scaffolds. Bioorg Med Chem Lett, Volume 23 (24), 2013";ChEMBL
MM474447;MM474447;CC(C)(C)CN1CCC(c2ccccc2Oc2ncccc2NC(=O)Nc2ccc(OC(F)(F)F)cc2)CC1;KNECEHLDOUTFJU-UHFFFAOYSA-N;542.6;7.64;68533570;;;CHEMBL3092631;GENER;EPAM;25;0;"<a href=https://www.ebi.ac.uk/chembl/assay_report_card/CHEMBL3096011/  target=_blank>CHEMBL3096011</a>";;;;;;;;;-4.54;;;;;;;;;;;;"Ruel R, L'Heureux A, Thibeault C, Lapointe P, Martel A, Qiao JX, Hua J, Price LA, Wu Q, Chang M, Zheng J, Huang CS, Wexler RR, Rehfuss R, Lam PY.: Potent P2Y1 urea antagonists bearing various cyclic amine scaffolds. Bioorg Med Chem Lett, Volume 23 (24), 2013";ChEMBL
MM474049;MM474049;CC1CCN(C(=O)C2CC(S(=O)(=O)c3ccccc3)CC2C(=O)NC2(C#N)CC2)CC1;YJZKURYVZRISEA-VAMGGRTRSA-N;443.57;2.29;49834971;;;CHEMBL3093826;GENER;EPAM;25;0;"<a href=https://www.ebi.ac.uk/chembl/assay_report_card/CHEMBL3096510/  target=_blank>CHEMBL3096510</a>";;;;;;;;;-5.34;;;;;;;;;;;;"Hilpert H, Mauser H, Humm R, Anselm L, Kuehne H, Hartmann G, Gruener S, Banner DW, Benz J, Gsell B, Kuglstatter A, Stihle M, Thoma R, Sanchez RA, Iding H, Wirz B, Haap W.: Identification of potent and selective cathepsin S inhibitors containing different central cyclic scaffolds. J Med Chem, Volume 56 (23), 2013";ChEMBL
MM474051;MM474051;N#CC1(NC(=O)C2CC(S(=O)(=O)c3ccccc3)CC2C(=O)N2CCC(O)CC2)CC1;URUISEODUFQHLN-GUDVDZBRSA-N;445.54;1.01;49834904;;;CHEMBL3093829;GENER;EPAM;25;0;"<a href=https://www.ebi.ac.uk/chembl/assay_report_card/CHEMBL3096510/  target=_blank>CHEMBL3096510</a>";;;;;;;;;-6.7;;;;;;;;;;;;"Hilpert H, Mauser H, Humm R, Anselm L, Kuehne H, Hartmann G, Gruener S, Banner DW, Benz J, Gsell B, Kuglstatter A, Stihle M, Thoma R, Sanchez RA, Iding H, Wirz B, Haap W.: Identification of potent and selective cathepsin S inhibitors containing different central cyclic scaffolds. J Med Chem, Volume 56 (23), 2013";ChEMBL
MM474050;MM474050;N#CC1(NC(=O)C2CC(S(=O)(=O)c3ccccc3)CC2C(=O)N2CCS(=O)(=O)CC2)CC1;SCMQTMLIWAARLW-KZNAEPCWSA-N;479.58;0.28;49834972;;;CHEMBL3093926;GENER;EPAM;25;0;"<a href=https://www.ebi.ac.uk/chembl/assay_report_card/CHEMBL3096510/  target=_blank>CHEMBL3096510</a>";;;;;;;;;-6.7;;;;;;;;;;;;"Hilpert H, Mauser H, Humm R, Anselm L, Kuehne H, Hartmann G, Gruener S, Banner DW, Benz J, Gsell B, Kuglstatter A, Stihle M, Thoma R, Sanchez RA, Iding H, Wirz B, Haap W.: Identification of potent and selective cathepsin S inhibitors containing different central cyclic scaffolds. J Med Chem, Volume 56 (23), 2013";ChEMBL
MM471910;MM471910;COc1cc(C(=O)N[C@H]2CCCN(Cc3ccc(Br)cc3)C2)ccc1-n1cnc(C)c1;WNAODUGGPXHAQZ-NRFANRHFSA-N;483.41;4.35;;;;;GENER;EPAM;25;0;"ph = 7.4, <a href=https://www.ebi.ac.uk/chembl/assay_report_card/CHEMBL3101590/  target=_blank>CHEMBL3101590</a>";;;;;;;;;-4.3;;;;;;;;;;;;"Kobayashi T, Iwama S, Fusano A, Kato Y, Ikeda A, Teranishi Y, Nishihara A, Tobe M.: Design and synthesis of an aminopiperidine series of γ-secretase modulators. Bioorg Med Chem Lett, Volume 24 (1), 2014";ChEMBL
MM474059;MM474059;COc1cccc(OC)c1-c1nc(C(=O)NC(CC(C)C)C(=O)O)cn1-c1cccc2ccccc12;;487.56;4.94;50919376;;;CHEMBL3099769;GENER;EPAM;25;0;"<a href=https://www.ebi.ac.uk/chembl/assay_report_card/CHEMBL3101938/  target=_blank>CHEMBL3101938</a>";;;;;;;;;-5.96;;;;;;;;;;;;"Hershberger PM, Hedrick MP, Peddibhotla S, Mangravita-Novo A, Gosalia P, Li Y, Gray W, Vicchiarelli M, Smith LH, Chung TD, Thomas JB, Caron MG, Pinkerton AB, Barak LS, Roth GP.: Imidazole-derived agonists for the neurotensin 1 receptor. Bioorg Med Chem Lett, Volume 24 (1), 2014";ChEMBL
MM474059;MM474059;COc1cccc(OC)c1-c1nc(C(=O)NC(CC(C)C)C(=O)O)cn1-c1cccc2ccccc12;;487.56;4.94;50919376;;;CHEMBL3099769;GENER;EPAM;25;0;"<a href=https://www.ebi.ac.uk/chembl/assay_report_card/CHEMBL3101942/  target=_blank>CHEMBL3101942</a>";;;;;;;;;-4.92;;;;;;;;;;;;"Hershberger PM, Hedrick MP, Peddibhotla S, Mangravita-Novo A, Gosalia P, Li Y, Gray W, Vicchiarelli M, Smith LH, Chung TD, Thomas JB, Caron MG, Pinkerton AB, Barak LS, Roth GP.: Imidazole-derived agonists for the neurotensin 1 receptor. Bioorg Med Chem Lett, Volume 24 (1), 2014";ChEMBL
MM474059;MM474059;COc1cccc(OC)c1-c1nc(C(=O)NC(CC(C)C)C(=O)O)cn1-c1cccc2ccccc12;;487.56;4.94;50919376;;;CHEMBL3099769;GENER;EPAM;25;0;"<a href=https://www.ebi.ac.uk/chembl/assay_report_card/CHEMBL3101943/  target=_blank>CHEMBL3101943</a>";;;;;;;;;-3.84;;;;;;;;;;;;"Hershberger PM, Hedrick MP, Peddibhotla S, Mangravita-Novo A, Gosalia P, Li Y, Gray W, Vicchiarelli M, Smith LH, Chung TD, Thomas JB, Caron MG, Pinkerton AB, Barak LS, Roth GP.: Imidazole-derived agonists for the neurotensin 1 receptor. Bioorg Med Chem Lett, Volume 24 (1), 2014";ChEMBL
MM474059;MM474059;COc1cccc(OC)c1-c1nc(C(=O)NC(CC(C)C)C(=O)O)cn1-c1cccc2ccccc12;;487.56;4.94;50919376;;;CHEMBL3099769;GENER;EPAM;25;0;"<a href=https://www.ebi.ac.uk/chembl/assay_report_card/CHEMBL3101944/  target=_blank>CHEMBL3101944</a>";;;;;;;;;-3.02;;;;;;;;;;;;"Hershberger PM, Hedrick MP, Peddibhotla S, Mangravita-Novo A, Gosalia P, Li Y, Gray W, Vicchiarelli M, Smith LH, Chung TD, Thomas JB, Caron MG, Pinkerton AB, Barak LS, Roth GP.: Imidazole-derived agonists for the neurotensin 1 receptor. Bioorg Med Chem Lett, Volume 24 (1), 2014";ChEMBL
MM474060;MM474060;COc1cccc(OC)c1-c1nc(C(=O)NC(CC(C)C)C(=O)O)cn1-c1ccnc2cc(Cl)ccc12;;522.99;4.99;49837912;;;CHEMBL3099773;GENER;EPAM;25;0;"<a href=https://www.ebi.ac.uk/chembl/assay_report_card/CHEMBL3101938/  target=_blank>CHEMBL3101938</a>";;;;;;;;;-5.92;;;;;;;;;;;;"Hershberger PM, Hedrick MP, Peddibhotla S, Mangravita-Novo A, Gosalia P, Li Y, Gray W, Vicchiarelli M, Smith LH, Chung TD, Thomas JB, Caron MG, Pinkerton AB, Barak LS, Roth GP.: Imidazole-derived agonists for the neurotensin 1 receptor. Bioorg Med Chem Lett, Volume 24 (1), 2014";ChEMBL
MM474060;MM474060;COc1cccc(OC)c1-c1nc(C(=O)NC(CC(C)C)C(=O)O)cn1-c1ccnc2cc(Cl)ccc12;;522.99;4.99;49837912;;;CHEMBL3099773;GENER;EPAM;25;0;"<a href=https://www.ebi.ac.uk/chembl/assay_report_card/CHEMBL3101942/  target=_blank>CHEMBL3101942</a>";;;;;;;;;-5.22;;;;;;;;;;;;"Hershberger PM, Hedrick MP, Peddibhotla S, Mangravita-Novo A, Gosalia P, Li Y, Gray W, Vicchiarelli M, Smith LH, Chung TD, Thomas JB, Caron MG, Pinkerton AB, Barak LS, Roth GP.: Imidazole-derived agonists for the neurotensin 1 receptor. Bioorg Med Chem Lett, Volume 24 (1), 2014";ChEMBL
MM474060;MM474060;COc1cccc(OC)c1-c1nc(C(=O)NC(CC(C)C)C(=O)O)cn1-c1ccnc2cc(Cl)ccc12;;522.99;4.99;49837912;;;CHEMBL3099773;GENER;EPAM;25;0;"<a href=https://www.ebi.ac.uk/chembl/assay_report_card/CHEMBL3101943/  target=_blank>CHEMBL3101943</a>";;;;;;;;;-4.77;;;;;;;;;;;;"Hershberger PM, Hedrick MP, Peddibhotla S, Mangravita-Novo A, Gosalia P, Li Y, Gray W, Vicchiarelli M, Smith LH, Chung TD, Thomas JB, Caron MG, Pinkerton AB, Barak LS, Roth GP.: Imidazole-derived agonists for the neurotensin 1 receptor. Bioorg Med Chem Lett, Volume 24 (1), 2014";ChEMBL
MM474060;MM474060;COc1cccc(OC)c1-c1nc(C(=O)NC(CC(C)C)C(=O)O)cn1-c1ccnc2cc(Cl)ccc12;;522.99;4.99;49837912;;;CHEMBL3099773;GENER;EPAM;25;0;"<a href=https://www.ebi.ac.uk/chembl/assay_report_card/CHEMBL3101944/  target=_blank>CHEMBL3101944</a>";;;;;;;;;-3.44;;;;;;;;;;;;"Hershberger PM, Hedrick MP, Peddibhotla S, Mangravita-Novo A, Gosalia P, Li Y, Gray W, Vicchiarelli M, Smith LH, Chung TD, Thomas JB, Caron MG, Pinkerton AB, Barak LS, Roth GP.: Imidazole-derived agonists for the neurotensin 1 receptor. Bioorg Med Chem Lett, Volume 24 (1), 2014";ChEMBL
Gatifloxacin;MM00738;COc1c(N2CCNC(C)C2)c(F)cc2c(=O)c(C(=O)O)cn(C3CC3)c12;XUBOMFCQGDBHNK-UHFFFAOYSA-N;375.4;1.98;5379;DB01044;;CHEMBL31;GENER;EPAM;25;0;"ph = 6.5, <a href=https://www.ebi.ac.uk/chembl/assay_report_card/CHEMBL1046150/  target=_blank>CHEMBL1046150</a>";;;;;;;;;-4.7;;;;;;;;;;;;"Tam KY, Avdeef A, Tsinman O, Sun N.: The permeation of amphoteric drugs through artificial membranes--an in combo absorption model based on paracellular and transmembrane permeability. J Med Chem, Volume 53 (1), 392-401, 2010";ChEMBL
MM471920;MM471920;Cc1cc(-c2nnc3n2CCCCC3)c(C)n1-c1ccc(Cl)c(Cl)c1;XPTYTHZOTIZQJV-UHFFFAOYSA-N;375.3;5.39;71307857;;;CHEMBL3102994;GENER;EPAM;25;0;"ph = 7.4, <a href=https://www.ebi.ac.uk/chembl/assay_report_card/CHEMBL3107149/  target=_blank>CHEMBL3107149</a>";;;;;;;;;-2.78;;;;;;;;;;;;"Duveau DY, Yasgar A, Wang Y, Hu X, Kouznetsova J, Brimacombe KR, Jadhav A, Simeonov A, Thomas CJ, Maloney DJ.: Structure-activity relationship studies and biological characterization of human NAD(+)-dependent 15-hydroxyprostaglandin dehydrogenase inhibitors. Bioorg Med Chem Lett, Volume 24 (2), 2014";ChEMBL
MM471919;MM471919;Cc1cc(-c2nnc3n2CCCCC3)c(C)n1-c1cccc(Cl)c1;UDWPNWGFSDYVPQ-UHFFFAOYSA-N;340.86;4.73;71307858;;;CHEMBL3102995;GENER;EPAM;25;0;"ph = 7.4, <a href=https://www.ebi.ac.uk/chembl/assay_report_card/CHEMBL3107149/  target=_blank>CHEMBL3107149</a>";;;;;;;;;-2.96;;;;;;;;;;;;"Duveau DY, Yasgar A, Wang Y, Hu X, Kouznetsova J, Brimacombe KR, Jadhav A, Simeonov A, Thomas CJ, Maloney DJ.: Structure-activity relationship studies and biological characterization of human NAD(+)-dependent 15-hydroxyprostaglandin dehydrogenase inhibitors. Bioorg Med Chem Lett, Volume 24 (2), 2014";ChEMBL
MM471918;MM471918;Cc1cc(-c2nnc3n2CCCCC3)c(C)n1-c1cccc(C(F)(F)F)c1;PPPSKWGJGYDJPC-UHFFFAOYSA-N;374.41;5.1;71307878;;;CHEMBL3102998;GENER;EPAM;25;0;"ph = 7.4, <a href=https://www.ebi.ac.uk/chembl/assay_report_card/CHEMBL3107149/  target=_blank>CHEMBL3107149</a>";;;;;;;;;-2.82;;;;;;;;;;;;"Duveau DY, Yasgar A, Wang Y, Hu X, Kouznetsova J, Brimacombe KR, Jadhav A, Simeonov A, Thomas CJ, Maloney DJ.: Structure-activity relationship studies and biological characterization of human NAD(+)-dependent 15-hydroxyprostaglandin dehydrogenase inhibitors. Bioorg Med Chem Lett, Volume 24 (2), 2014";ChEMBL
MM471917;MM471917;Cc1ccc(-n2c(C)cc(-c3nnc4n3CCCCC4)c2C)cc1;QKPPIMNVHFZLLI-UHFFFAOYSA-N;320.44;4.39;71307851;;;CHEMBL3103000;GENER;EPAM;25;0;"ph = 7.4, <a href=https://www.ebi.ac.uk/chembl/assay_report_card/CHEMBL3107149/  target=_blank>CHEMBL3107149</a>";;;;;;;;;-2.88;;;;;;;;;;;;"Duveau DY, Yasgar A, Wang Y, Hu X, Kouznetsova J, Brimacombe KR, Jadhav A, Simeonov A, Thomas CJ, Maloney DJ.: Structure-activity relationship studies and biological characterization of human NAD(+)-dependent 15-hydroxyprostaglandin dehydrogenase inhibitors. Bioorg Med Chem Lett, Volume 24 (2), 2014";ChEMBL
MM471916;MM471916;Cc1cc(-c2nnc3n2CCCCC3)c(C)n1-c1cccc(C#N)c1;UTEZZOAYXICASM-UHFFFAOYSA-N;331.42;3.95;71307843;;;CHEMBL3103001;GENER;EPAM;25;0;"ph = 7.4, <a href=https://www.ebi.ac.uk/chembl/assay_report_card/CHEMBL3107149/  target=_blank>CHEMBL3107149</a>";;;;;;;;;-3.64;;;;;;;;;;;;"Duveau DY, Yasgar A, Wang Y, Hu X, Kouznetsova J, Brimacombe KR, Jadhav A, Simeonov A, Thomas CJ, Maloney DJ.: Structure-activity relationship studies and biological characterization of human NAD(+)-dependent 15-hydroxyprostaglandin dehydrogenase inhibitors. Bioorg Med Chem Lett, Volume 24 (2), 2014";ChEMBL
MM471914;MM471914;Cc1cccc(-n2cnc3cc(C(=O)N4CCCC(C)(C)C4)ccc32)c1;LZKKTPSYBZSUGJ-UHFFFAOYSA-N;347.46;4.6;71307871;;;CHEMBL3103021;GENER;EPAM;25;0;"ph = 7.4, <a href=https://www.ebi.ac.uk/chembl/assay_report_card/CHEMBL3107149/  target=_blank>CHEMBL3107149</a>";;;;;;;;;-2.64;;;;;;;;;;;;"Duveau DY, Yasgar A, Wang Y, Hu X, Kouznetsova J, Brimacombe KR, Jadhav A, Simeonov A, Thomas CJ, Maloney DJ.: Structure-activity relationship studies and biological characterization of human NAD(+)-dependent 15-hydroxyprostaglandin dehydrogenase inhibitors. Bioorg Med Chem Lett, Volume 24 (2), 2014";ChEMBL
MM471913;MM471913;O=C(c1ccc2c(c1)ncn2-c1cccc(Cl)c1)N1CCCCC1;XODGBXPZOXYLFN-UHFFFAOYSA-N;339.83;4.31;71307865;;;CHEMBL3103033;GENER;EPAM;25;0;"ph = 7.4, <a href=https://www.ebi.ac.uk/chembl/assay_report_card/CHEMBL3107149/  target=_blank>CHEMBL3107149</a>";;;;;;;;;-3.05;;;;;;;;;;;;"Duveau DY, Yasgar A, Wang Y, Hu X, Kouznetsova J, Brimacombe KR, Jadhav A, Simeonov A, Thomas CJ, Maloney DJ.: Structure-activity relationship studies and biological characterization of human NAD(+)-dependent 15-hydroxyprostaglandin dehydrogenase inhibitors. Bioorg Med Chem Lett, Volume 24 (2), 2014";ChEMBL
MM471912;MM471912;O=C(c1ccc2c(c1)ncn2-c1cccc(C(F)(F)F)c1)N1CCCCC1;JKFSLVDEDNJILV-UHFFFAOYSA-N;373.38;4.67;71307863;;;CHEMBL3103035;GENER;EPAM;25;0;"ph = 7.4, <a href=https://www.ebi.ac.uk/chembl/assay_report_card/CHEMBL3107149/  target=_blank>CHEMBL3107149</a>";;;;;;;;;-2.87;;;;;;;;;;;;"Duveau DY, Yasgar A, Wang Y, Hu X, Kouznetsova J, Brimacombe KR, Jadhav A, Simeonov A, Thomas CJ, Maloney DJ.: Structure-activity relationship studies and biological characterization of human NAD(+)-dependent 15-hydroxyprostaglandin dehydrogenase inhibitors. Bioorg Med Chem Lett, Volume 24 (2), 2014";ChEMBL
MM471911;MM471911;COc1ccc(-n2cnc3cc(C(=O)N4CCCCC4)ccc32)cc1;FUCWZIFGSAFUAO-UHFFFAOYSA-N;335.41;3.66;3474778;;;CHEMBL3103040;GENER;EPAM;25;0;"ph = 7.4, <a href=https://www.ebi.ac.uk/chembl/assay_report_card/CHEMBL3107149/  target=_blank>CHEMBL3107149</a>";;;;;;;;;-3.2;;;;;;;;;;;;"Duveau DY, Yasgar A, Wang Y, Hu X, Kouznetsova J, Brimacombe KR, Jadhav A, Simeonov A, Thomas CJ, Maloney DJ.: Structure-activity relationship studies and biological characterization of human NAD(+)-dependent 15-hydroxyprostaglandin dehydrogenase inhibitors. Bioorg Med Chem Lett, Volume 24 (2), 2014";ChEMBL
MM473817;MM473817;CCCC1S/C(=C/c2nc3ccccc3[nH]2)NC1=O;VVXZPLQFCWCGBS-MDWZMJQESA-N;273.36;2.89;;;;;GENER;EPAM;25;0;"<a href=https://www.ebi.ac.uk/chembl/assay_report_card/CHEMBL3106895/  target=_blank>CHEMBL3106895</a>";;;;;;;;;-5.21;;;;;;;;;;;;"Sogame S, Suenaga Y, Atobe M, Kawanishi M, Tanaka E, Miyoshi S.: Discovery of a benzimidazole series of ADAMTS-5 (aggrecanase-2) inhibitors by scaffold hopping. Eur J Med Chem, Volume 71, 2014";ChEMBL
MM471387;MM471387;COc1ccc(C(Nc2ccc(C(F)(F)F)cc2)c2c(C)[nH]c3ccccc23)cc1;NNTQFFZNUZBJND-UHFFFAOYSA-N;410.44;6.71;73334809;;;CHEMBL3109604;GENER;EPAM;25;0;"ph = 7.4, <a href=https://www.ebi.ac.uk/chembl/assay_report_card/CHEMBL3111316/  target=_blank>CHEMBL3111316</a>";;;;;;;;;-6.36;;;;;;;;;;;;"Sidhu PS, Nassif N, McCallum MM, Teske K, Feleke B, Yuan NY, Nandhikonda P, Cook JM, Singh RK, Bikle DD, Arnold LA.: Development of novel Vitamin D Receptor-Coactivator Inhibitors. ACS Med Chem Lett, Volume 5 (2), 2014";ChEMBL
MM473215;MM473215;COC(=O)c1cccc(-n2sc3ccccc3c2=O)c1;;285.32;2.84;25067463;;;CHEMBL1369613;GENER;EPAM;25;0;"<a href=https://www.ebi.ac.uk/chembl/assay_report_card/CHEMBL3375691/  target=_blank>CHEMBL3375691</a>";;;;;;;;;-2.89;;;;;;;;;;;;"Bravo Y, Teriete P, Dhanya RP, Dahl R, Lee PS, Kiffer-Moreira T, Ganji SR, Sergienko E, Smith LH, Farquharson C, Millán JL, Cosford ND.: Design, synthesis and evaluation of benzoisothiazolones as selective inhibitors of PHOSPHO1. Bioorg Med Chem Lett, Volume 24 (17), 2014";ChEMBL
MM471386;MM471386;Cc1[nH]c2ccccc2c1C(NCc1ccccc1)c1ccccc1Cl;FCLRKOQXOJBTEP-UHFFFAOYSA-N;360.89;6.01;76321239;;;CHEMBL3109605;GENER;EPAM;25;0;"ph = 7.4, <a href=https://www.ebi.ac.uk/chembl/assay_report_card/CHEMBL3111316/  target=_blank>CHEMBL3111316</a>";;;;;;;;;-6.21;;;;;;;;;;;;"Sidhu PS, Nassif N, McCallum MM, Teske K, Feleke B, Yuan NY, Nandhikonda P, Cook JM, Singh RK, Bikle DD, Arnold LA.: Development of novel Vitamin D Receptor-Coactivator Inhibitors. ACS Med Chem Lett, Volume 5 (2), 2014";ChEMBL
MM471385;MM471385;Cc1ccc2c(C(NCc3ccccc3)c3ccccc3Cl)c(C)[nH]c2c1;AQLSREXSXCXYPP-UHFFFAOYSA-N;374.92;6.32;76310292;;;CHEMBL3109606;GENER;EPAM;25;0;"ph = 7.4, <a href=https://www.ebi.ac.uk/chembl/assay_report_card/CHEMBL3111316/  target=_blank>CHEMBL3111316</a>";;;;;;;;;-5.6;;;;;;;;;;;;"Sidhu PS, Nassif N, McCallum MM, Teske K, Feleke B, Yuan NY, Nandhikonda P, Cook JM, Singh RK, Bikle DD, Arnold LA.: Development of novel Vitamin D Receptor-Coactivator Inhibitors. ACS Med Chem Lett, Volume 5 (2), 2014";ChEMBL
MM473215;MM473215;COC(=O)c1cccc(-n2sc3ccccc3c2=O)c1;;285.32;2.84;25067463;;;CHEMBL1369613;GENER;EPAM;25;0;"<a href=https://www.ebi.ac.uk/chembl/assay_report_card/CHEMBL3375693/  target=_blank>CHEMBL3375693</a>";;;;;;;;;-2.89;;;;;;;;;;;;"Bravo Y, Teriete P, Dhanya RP, Dahl R, Lee PS, Kiffer-Moreira T, Ganji SR, Sergienko E, Smith LH, Farquharson C, Millán JL, Cosford ND.: Design, synthesis and evaluation of benzoisothiazolones as selective inhibitors of PHOSPHO1. Bioorg Med Chem Lett, Volume 24 (17), 2014";ChEMBL
MM471384;MM471384;Cc1ccc2c(C(NCc3ccc(C(F)(F)F)cc3)c3ccccc3Cl)c(C)[nH]c2c1;DOCFQDHUGXVTQU-UHFFFAOYSA-N;442.91;7.34;76321240;;;CHEMBL3109607;GENER;EPAM;25;0;"ph = 7.4, <a href=https://www.ebi.ac.uk/chembl/assay_report_card/CHEMBL3111316/  target=_blank>CHEMBL3111316</a>";;;;;;;;;-6.67;;;;;;;;;;;;"Sidhu PS, Nassif N, McCallum MM, Teske K, Feleke B, Yuan NY, Nandhikonda P, Cook JM, Singh RK, Bikle DD, Arnold LA.: Development of novel Vitamin D Receptor-Coactivator Inhibitors. ACS Med Chem Lett, Volume 5 (2), 2014";ChEMBL
MM471383;MM471383;Cc1ccc(CNC(c2ccccc2Cl)c2c(C)[nH]c3cc(C)ccc23)cc1;HKAUCVLSMSXIQN-UHFFFAOYSA-N;388.94;6.63;76324859;;;CHEMBL3109608;GENER;EPAM;25;0;"ph = 7.4, <a href=https://www.ebi.ac.uk/chembl/assay_report_card/CHEMBL3111316/  target=_blank>CHEMBL3111316</a>";;;;;;;;;-6.41;;;;;;;;;;;;"Sidhu PS, Nassif N, McCallum MM, Teske K, Feleke B, Yuan NY, Nandhikonda P, Cook JM, Singh RK, Bikle DD, Arnold LA.: Development of novel Vitamin D Receptor-Coactivator Inhibitors. ACS Med Chem Lett, Volume 5 (2), 2014";ChEMBL
MM471382;MM471382;Cc1[nH]c2ccccc2c1C(Nc1ccc(Cl)cc1)c1cccnc1;VUJJZSHDRCEVLA-UHFFFAOYSA-N;347.85;5.73;3943163;;;CHEMBL3109609;GENER;EPAM;25;0;"ph = 7.4, <a href=https://www.ebi.ac.uk/chembl/assay_report_card/CHEMBL3111316/  target=_blank>CHEMBL3111316</a>";;;;;;;;;-6.47;;;;;;;;;;;;"Sidhu PS, Nassif N, McCallum MM, Teske K, Feleke B, Yuan NY, Nandhikonda P, Cook JM, Singh RK, Bikle DD, Arnold LA.: Development of novel Vitamin D Receptor-Coactivator Inhibitors. ACS Med Chem Lett, Volume 5 (2), 2014";ChEMBL
MM471381;MM471381;Cc1[nH]c2ccccc2c1C(Nc1ccc(Cl)cc1)c1ccncc1;MRHUTOXNFGNPFA-UHFFFAOYSA-N;347.85;5.73;4124316;;;CHEMBL3109610;GENER;EPAM;25;0;"ph = 7.4, <a href=https://www.ebi.ac.uk/chembl/assay_report_card/CHEMBL3111316/  target=_blank>CHEMBL3111316</a>";;;;;;;;;-6.5;;;;;;;;;;;;"Sidhu PS, Nassif N, McCallum MM, Teske K, Feleke B, Yuan NY, Nandhikonda P, Cook JM, Singh RK, Bikle DD, Arnold LA.: Development of novel Vitamin D Receptor-Coactivator Inhibitors. ACS Med Chem Lett, Volume 5 (2), 2014";ChEMBL
MM471380;MM471380;COc1ncccc1C(Nc1ccc(Cl)cc1)c1c(C)[nH]c2ccccc12;HMKDBXFQTIAIEW-UHFFFAOYSA-N;377.88;5.73;76328417;;;CHEMBL3109611;GENER;EPAM;25;0;"ph = 7.4, <a href=https://www.ebi.ac.uk/chembl/assay_report_card/CHEMBL3111316/  target=_blank>CHEMBL3111316</a>";;;;;;;;;-7.57;;;;;;;;;;;;"Sidhu PS, Nassif N, McCallum MM, Teske K, Feleke B, Yuan NY, Nandhikonda P, Cook JM, Singh RK, Bikle DD, Arnold LA.: Development of novel Vitamin D Receptor-Coactivator Inhibitors. ACS Med Chem Lett, Volume 5 (2), 2014";ChEMBL
MM471379;MM471379;Cc1[nH]c2ccccc2c1C(Nc1ccc(Cl)cc1)c1ncc[nH]1;ZQJUNMKUHZNGTJ-UHFFFAOYSA-N;336.83;5.05;76332098;;;CHEMBL3109613;GENER;EPAM;25;0;"ph = 7.4, <a href=https://www.ebi.ac.uk/chembl/assay_report_card/CHEMBL3111316/  target=_blank>CHEMBL3111316</a>";;;;;;;;;-6.71;;;;;;;;;;;;"Sidhu PS, Nassif N, McCallum MM, Teske K, Feleke B, Yuan NY, Nandhikonda P, Cook JM, Singh RK, Bikle DD, Arnold LA.: Development of novel Vitamin D Receptor-Coactivator Inhibitors. ACS Med Chem Lett, Volume 5 (2), 2014";ChEMBL
MM471378;MM471378;Cc1[nH]c2ccccc2c1C(Nc1ccc(Cl)cc1)c1nccs1;CKYVDHZHFCZJBC-UHFFFAOYSA-N;353.88;5.79;76317516;;;CHEMBL3109614;GENER;EPAM;25;0;"ph = 7.4, <a href=https://www.ebi.ac.uk/chembl/assay_report_card/CHEMBL3111316/  target=_blank>CHEMBL3111316</a>";;;;;;;;;-6.14;;;;;;;;;;;;"Sidhu PS, Nassif N, McCallum MM, Teske K, Feleke B, Yuan NY, Nandhikonda P, Cook JM, Singh RK, Bikle DD, Arnold LA.: Development of novel Vitamin D Receptor-Coactivator Inhibitors. ACS Med Chem Lett, Volume 5 (2), 2014";ChEMBL
MM471377;MM471377;Cc1[nH]c2ccccc2c1C(O)c1ccccc1Cl;WJKAQKGFTKOYBL-UHFFFAOYSA-N;271.75;4.21;76324860;;;CHEMBL3109615;GENER;EPAM;25;0;"ph = 7.4, <a href=https://www.ebi.ac.uk/chembl/assay_report_card/CHEMBL3111316/  target=_blank>CHEMBL3111316</a>";;;;;;;;;-6.92;;;;;;;;;;;;"Sidhu PS, Nassif N, McCallum MM, Teske K, Feleke B, Yuan NY, Nandhikonda P, Cook JM, Singh RK, Bikle DD, Arnold LA.: Development of novel Vitamin D Receptor-Coactivator Inhibitors. ACS Med Chem Lett, Volume 5 (2), 2014";ChEMBL
MM471376;MM471376;Cc1nc2cc(NC(c3ccccc3Cl)c3c(C)[nH]c4ccccc34)ccc2s1;GCSKLLBVPVSKGW-UHFFFAOYSA-N;417.97;7.25;76310293;;;CHEMBL3109618;GENER;EPAM;25;0;"ph = 7.4, <a href=https://www.ebi.ac.uk/chembl/assay_report_card/CHEMBL3111316/  target=_blank>CHEMBL3111316</a>";;;;;;;;;-6.68;;;;;;;;;;;;"Sidhu PS, Nassif N, McCallum MM, Teske K, Feleke B, Yuan NY, Nandhikonda P, Cook JM, Singh RK, Bikle DD, Arnold LA.: Development of novel Vitamin D Receptor-Coactivator Inhibitors. ACS Med Chem Lett, Volume 5 (2), 2014";ChEMBL
MM471375;MM471375;COc1ncccc1NC(c1ccccc1Cl)c1c(C)[nH]c2cc(C)ccc12;ZNNPOFQTZBGADB-UHFFFAOYSA-N;391.9;6.04;76335719;;;CHEMBL3109619;GENER;EPAM;25;0;"ph = 7.4, <a href=https://www.ebi.ac.uk/chembl/assay_report_card/CHEMBL3111316/  target=_blank>CHEMBL3111316</a>";;;;;;;;;-5.87;;;;;;;;;;;;"Sidhu PS, Nassif N, McCallum MM, Teske K, Feleke B, Yuan NY, Nandhikonda P, Cook JM, Singh RK, Bikle DD, Arnold LA.: Development of novel Vitamin D Receptor-Coactivator Inhibitors. ACS Med Chem Lett, Volume 5 (2), 2014";ChEMBL
MM471374;MM471374;Cc1ccc2c(C(Nc3cccnc3)c3ccccc3Cl)c(C)[nH]c2c1;FPDIMVPBSSBDFS-UHFFFAOYSA-N;361.88;6.03;;;;;GENER;EPAM;25;0;"ph = 7.4, <a href=https://www.ebi.ac.uk/chembl/assay_report_card/CHEMBL3111316/  target=_blank>CHEMBL3111316</a>";;;;;;;;;-6.09;;;;;;;;;;;;"Sidhu PS, Nassif N, McCallum MM, Teske K, Feleke B, Yuan NY, Nandhikonda P, Cook JM, Singh RK, Bikle DD, Arnold LA.: Development of novel Vitamin D Receptor-Coactivator Inhibitors. ACS Med Chem Lett, Volume 5 (2), 2014";ChEMBL
MM471373;MM471373;COc1ccc(NC(c2nccs2)c2c(C)[nH]c3ccccc23)cc1OC;LLMRMIHLJLRSNK-UHFFFAOYSA-N;379.49;5.15;76310294;;;CHEMBL3109621;GENER;EPAM;25;0;"ph = 7.4, <a href=https://www.ebi.ac.uk/chembl/assay_report_card/CHEMBL3111316/  target=_blank>CHEMBL3111316</a>";;;;;;;;;-6.14;;;;;;;;;;;;"Sidhu PS, Nassif N, McCallum MM, Teske K, Feleke B, Yuan NY, Nandhikonda P, Cook JM, Singh RK, Bikle DD, Arnold LA.: Development of novel Vitamin D Receptor-Coactivator Inhibitors. ACS Med Chem Lett, Volume 5 (2), 2014";ChEMBL
MM471372;MM471372;COc1ncccc1NC(c1cccnc1)c1c(C)[nH]c2cc(C)ccc12;MWRFNJNGUSICNX-UHFFFAOYSA-N;358.45;4.78;76321241;;;CHEMBL3109622;GENER;EPAM;25;0;"ph = 7.4, <a href=https://www.ebi.ac.uk/chembl/assay_report_card/CHEMBL3111316/  target=_blank>CHEMBL3111316</a>";;;;;;;;;-5.78;;;;;;;;;;;;"Sidhu PS, Nassif N, McCallum MM, Teske K, Feleke B, Yuan NY, Nandhikonda P, Cook JM, Singh RK, Bikle DD, Arnold LA.: Development of novel Vitamin D Receptor-Coactivator Inhibitors. ACS Med Chem Lett, Volume 5 (2), 2014";ChEMBL
MM471371;MM471371;COc1ncccc1NC(c1cccnc1)c1c(C)[nH]c2ccccc12;PLDRFPAQBXALIC-UHFFFAOYSA-N;344.42;4.48;76332099;;;CHEMBL3109623;GENER;EPAM;25;0;"ph = 7.4, <a href=https://www.ebi.ac.uk/chembl/assay_report_card/CHEMBL3111316/  target=_blank>CHEMBL3111316</a>";;;;;;;;;-5.88;;;;;;;;;;;;"Sidhu PS, Nassif N, McCallum MM, Teske K, Feleke B, Yuan NY, Nandhikonda P, Cook JM, Singh RK, Bikle DD, Arnold LA.: Development of novel Vitamin D Receptor-Coactivator Inhibitors. ACS Med Chem Lett, Volume 5 (2), 2014";ChEMBL
MM471922;MM471922;Cn1cc(-c2cc3cnc(Nc4ccc(-c5cncn5C)cc4Cl)cc3n2C(=O)OC(C)(C)C)cn1;BXKNUXDLZJPPBO-UHFFFAOYSA-N;503.99;6.02;66547425;;;CHEMBL3109945;GENER;EPAM;25;0;"ph = 7.4, <a href=https://www.ebi.ac.uk/chembl/assay_report_card/CHEMBL3111612/  target=_blank>CHEMBL3111612</a>";;;;;;;;;-4.74;;;;;;;;;;;;"Naud S, Westwood IM, Faisal A, Sheldrake P, Bavetsias V, Atrash B, Cheung KM, Liu M, Hayes A, Schmitt J, Wood A, Choi V, Boxall K, Mak G, Gurden M, Valenti M, de Haven Brandon A, Henley A, Baker R, McAndrew C, Matijssen B, Burke R, Hoelder S, Eccles SA, Raynaud FI, Linardopoulos S, van Montfort RL, Blagg J.: Structure-based design of orally bioavailable 1H-pyrrolo[3,2-c]pyridine inhibitors of mitotic kinase monopolar spindle 1 (MPS1). J Med Chem, Volume 56 (24), 2013";ChEMBL
MM471927;MM471927;COc1cccc(CNc2ccc(S(=O)(=O)Nc3nc4ccccc4s3)cc2)c1O;OWHBVKBNNRYMIN-UHFFFAOYSA-N;441.53;4.42;70701426;;;CHEMBL3113165;GENER;EPAM;25;0;"ph = 7.4, <a href=https://www.ebi.ac.uk/chembl/assay_report_card/CHEMBL3119083/  target=_blank>CHEMBL3119083</a>";;;;;;;;;-3.4;;;;;;;;;;;;"Luci DK, Jameson JB, Yasgar A, Diaz G, Joshi N, Kantz A, Markham K, Perry S, Kuhn N, Yeung J, Kerns EH, Schultz L, Holinstat M, Nadler JL, Taylor-Fishwick DA, Jadhav A, Simeonov A, Holman TR, Maloney DJ.: Synthesis and structure-activity relationship studies of 4-((2-hydroxy-3-methoxybenzyl)amino)benzenesulfonamide derivatives as potent and selective inhibitors of 12-lipoxygenase. J Med Chem, Volume 57 (2), 2014";ChEMBL
MM471926;MM471926;COc1cccc(CNc2ccc(S(=O)(=O)Nc3nc4ccccc4o3)cc2)c1O;PLLGXMASDDMGST-UHFFFAOYSA-N;425.47;3.95;70701432;;;CHEMBL3113166;GENER;EPAM;25;0;"ph = 7.4, <a href=https://www.ebi.ac.uk/chembl/assay_report_card/CHEMBL3119083/  target=_blank>CHEMBL3119083</a>";;;;;;;;;-3.77;;;;;;;;;;;;"Luci DK, Jameson JB, Yasgar A, Diaz G, Joshi N, Kantz A, Markham K, Perry S, Kuhn N, Yeung J, Kerns EH, Schultz L, Holinstat M, Nadler JL, Taylor-Fishwick DA, Jadhav A, Simeonov A, Holman TR, Maloney DJ.: Synthesis and structure-activity relationship studies of 4-((2-hydroxy-3-methoxybenzyl)amino)benzenesulfonamide derivatives as potent and selective inhibitors of 12-lipoxygenase. J Med Chem, Volume 57 (2), 2014";ChEMBL
MM471925;MM471925;COc1cccc(CNc2ccc(S(=O)(=O)Nc3cccc(C(C)C)c3)cc2)c1O;SMFFPQDLUGWSOM-UHFFFAOYSA-N;426.54;4.94;76332191;;;CHEMBL3113197;GENER;EPAM;25;0;"ph = 7.4, <a href=https://www.ebi.ac.uk/chembl/assay_report_card/CHEMBL3119083/  target=_blank>CHEMBL3119083</a>";;;;;;;;;-4.41;;;;;;;;;;;;"Luci DK, Jameson JB, Yasgar A, Diaz G, Joshi N, Kantz A, Markham K, Perry S, Kuhn N, Yeung J, Kerns EH, Schultz L, Holinstat M, Nadler JL, Taylor-Fishwick DA, Jadhav A, Simeonov A, Holman TR, Maloney DJ.: Synthesis and structure-activity relationship studies of 4-((2-hydroxy-3-methoxybenzyl)amino)benzenesulfonamide derivatives as potent and selective inhibitors of 12-lipoxygenase. J Med Chem, Volume 57 (2), 2014";ChEMBL
MM471924;MM471924;COc1cccc(CNc2ccc(S(=O)(=O)Nc3nc4ccc(F)cc4s3)cc2)c1O;DCPQZFQYOJQYFZ-UHFFFAOYSA-N;459.52;4.56;76321349;;;CHEMBL3113198;GENER;EPAM;25;0;"ph = 7.4, <a href=https://www.ebi.ac.uk/chembl/assay_report_card/CHEMBL3119083/  target=_blank>CHEMBL3119083</a>";;;;;;;;;-4.19;;;;;;;;;;;;"Luci DK, Jameson JB, Yasgar A, Diaz G, Joshi N, Kantz A, Markham K, Perry S, Kuhn N, Yeung J, Kerns EH, Schultz L, Holinstat M, Nadler JL, Taylor-Fishwick DA, Jadhav A, Simeonov A, Holman TR, Maloney DJ.: Synthesis and structure-activity relationship studies of 4-((2-hydroxy-3-methoxybenzyl)amino)benzenesulfonamide derivatives as potent and selective inhibitors of 12-lipoxygenase. J Med Chem, Volume 57 (2), 2014";ChEMBL
MM474448;MM474448;COC(=O)Nc1ccc(S(=O)(=O)C(C)C)c(C2CCCN2C(=O)C(Nc2ccc3c(N)nccc3c2)c2ccc(Cl)c(OC)c2)c1;MKOCYGRBOOMZRC-POURPWNDSA-N;666.2;6.36;57942834;;;CHEMBL3114831;GENER;EPAM;25;0;"<a href=https://www.ebi.ac.uk/chembl/assay_report_card/CHEMBL3116757/  target=_blank>CHEMBL3116757</a>";;;;;;;;;-5.6;;;;;;;;;;;;"Zhang X, Jiang W, Jacutin-Porte S, Glunz PW, Zou Y, Cheng X, Nirschl AH, Wurtz NR, Luettgen JM, Rendina AR, Luo G, Harper TM, Wei A, Anumula R, Cheney DL, Knabb RM, Wong PC, Wexler RR, Priestley ES.: Design and Synthesis of Phenylpyrrolidine Phenylglycinamides As Highly Potent and Selective TF-FVIIa Inhibitors. ACS Med Chem Lett, Volume 5 (2), 2014";ChEMBL
MM474461;MM474461;CCOc1ccc(F)c(C(Nc2ccc3c(N)nccc3c2)C(=O)N2CCC(C(=O)O)C2c2cc(NC(=O)OC)ccc2S(=O)(=O)C(C)C)c1;ZROIOCGFCIZWFP-WXKJZWBCSA-N;707.78;5.54;57942854;;;CHEMBL3114837;GENER;EPAM;25;0;"<a href=https://www.ebi.ac.uk/chembl/assay_report_card/CHEMBL3116757/  target=_blank>CHEMBL3116757</a>";;;;;;;;;-7.1;;;;;;;;;;;;"Zhang X, Jiang W, Jacutin-Porte S, Glunz PW, Zou Y, Cheng X, Nirschl AH, Wurtz NR, Luettgen JM, Rendina AR, Luo G, Harper TM, Wei A, Anumula R, Cheney DL, Knabb RM, Wong PC, Wexler RR, Priestley ES.: Design and Synthesis of Phenylpyrrolidine Phenylglycinamides As Highly Potent and Selective TF-FVIIa Inhibitors. ACS Med Chem Lett, Volume 5 (2), 2014";ChEMBL
MM474460;MM474460;CCS(=O)(=O)c1ccccc1C1C(C(=O)O)CCN1C(=O)C(Nc1ccc2c(N)nccc2c1)c1ccc(F)c(OC)c1;IZSJEKWHRIABKB-LBNPDIFZSA-N;606.68;4.59;57942745;;;CHEMBL3114838;GENER;EPAM;25;0;"<a href=https://www.ebi.ac.uk/chembl/assay_report_card/CHEMBL3116757/  target=_blank>CHEMBL3116757</a>";;;;;;;;;-7.25;;;;;;;;;;;;"Zhang X, Jiang W, Jacutin-Porte S, Glunz PW, Zou Y, Cheng X, Nirschl AH, Wurtz NR, Luettgen JM, Rendina AR, Luo G, Harper TM, Wei A, Anumula R, Cheney DL, Knabb RM, Wong PC, Wexler RR, Priestley ES.: Design and Synthesis of Phenylpyrrolidine Phenylglycinamides As Highly Potent and Selective TF-FVIIa Inhibitors. ACS Med Chem Lett, Volume 5 (2), 2014";ChEMBL
MM474457;MM474457;CCOc1cc(C(Nc2ccc3c(N)nccc3c2)C(=O)NCc2ccccc2S(=O)(=O)C2CC2)ccc1OC(C)C;BHTMZVVHJAAYBC-UHFFFAOYSA-N;588.73;5.41;58789089;;;CHEMBL3114840;GENER;EPAM;25;0;"<a href=https://www.ebi.ac.uk/chembl/assay_report_card/CHEMBL3116757/  target=_blank>CHEMBL3116757</a>";;;;;;;;;-5.59;;;;;;;;;;;;"Zhang X, Jiang W, Jacutin-Porte S, Glunz PW, Zou Y, Cheng X, Nirschl AH, Wurtz NR, Luettgen JM, Rendina AR, Luo G, Harper TM, Wei A, Anumula R, Cheney DL, Knabb RM, Wong PC, Wexler RR, Priestley ES.: Design and Synthesis of Phenylpyrrolidine Phenylglycinamides As Highly Potent and Selective TF-FVIIa Inhibitors. ACS Med Chem Lett, Volume 5 (2), 2014";ChEMBL
MM474456;MM474456;CCOc1cc(C(Nc2ccc3c(N)nccc3c2)C(=O)NCc2ccccc2S(=O)(=O)C(C)C)ccc1OC(C)C;QHJUWQXHNUKLAP-UHFFFAOYSA-N;590.75;5.65;58789135;;;CHEMBL3114841;GENER;EPAM;25;0;"<a href=https://www.ebi.ac.uk/chembl/assay_report_card/CHEMBL3116757/  target=_blank>CHEMBL3116757</a>";;;;;;;;;-5.92;;;;;;;;;;;;"Zhang X, Jiang W, Jacutin-Porte S, Glunz PW, Zou Y, Cheng X, Nirschl AH, Wurtz NR, Luettgen JM, Rendina AR, Luo G, Harper TM, Wei A, Anumula R, Cheney DL, Knabb RM, Wong PC, Wexler RR, Priestley ES.: Design and Synthesis of Phenylpyrrolidine Phenylglycinamides As Highly Potent and Selective TF-FVIIa Inhibitors. ACS Med Chem Lett, Volume 5 (2), 2014";ChEMBL
MM474455;MM474455;CCOc1cc(C(Nc2ccc3c(N)nccc3c2)C(=O)NCc2ccccc2S(=O)(=O)CC)ccc1OC(C)C;ZTNZCYHAMGCHNM-UHFFFAOYSA-N;576.72;5.27;58789193;;;CHEMBL3114842;GENER;EPAM;25;0;"<a href=https://www.ebi.ac.uk/chembl/assay_report_card/CHEMBL3116757/  target=_blank>CHEMBL3116757</a>";;;;;;;;;-6.05;;;;;;;;;;;;"Zhang X, Jiang W, Jacutin-Porte S, Glunz PW, Zou Y, Cheng X, Nirschl AH, Wurtz NR, Luettgen JM, Rendina AR, Luo G, Harper TM, Wei A, Anumula R, Cheney DL, Knabb RM, Wong PC, Wexler RR, Priestley ES.: Design and Synthesis of Phenylpyrrolidine Phenylglycinamides As Highly Potent and Selective TF-FVIIa Inhibitors. ACS Med Chem Lett, Volume 5 (2), 2014";ChEMBL
MM474454;MM474454;CCOc1cc(C(Nc2ccc3c(N)nccc3c2)C(=O)N(C)Cc2ccccc2)ccc1OC(C)C;LQQXFGZYYQHUNT-UHFFFAOYSA-N;498.63;5.81;15948289;;;CHEMBL3114844;GENER;EPAM;25;0;"<a href=https://www.ebi.ac.uk/chembl/assay_report_card/CHEMBL3116757/  target=_blank>CHEMBL3116757</a>";;;;;;;;;-4.64;;;;;;;;;;;;"Zhang X, Jiang W, Jacutin-Porte S, Glunz PW, Zou Y, Cheng X, Nirschl AH, Wurtz NR, Luettgen JM, Rendina AR, Luo G, Harper TM, Wei A, Anumula R, Cheney DL, Knabb RM, Wong PC, Wexler RR, Priestley ES.: Design and Synthesis of Phenylpyrrolidine Phenylglycinamides As Highly Potent and Selective TF-FVIIa Inhibitors. ACS Med Chem Lett, Volume 5 (2), 2014";ChEMBL
MM474453;MM474453;CCOc1cc(C(Nc2ccc3c(N)nccc3c2)C(=O)N2CCCC2c2ccccc2)ccc1OC(C)C;ICHSQGVMXMADMI-UHFFFAOYSA-N;524.67;6.52;11562716;;;CHEMBL3114845;GENER;EPAM;25;0;"<a href=https://www.ebi.ac.uk/chembl/assay_report_card/CHEMBL3116757/  target=_blank>CHEMBL3116757</a>";;;;;;;;;-5.09;;;;;;;;;;;;"Zhang X, Jiang W, Jacutin-Porte S, Glunz PW, Zou Y, Cheng X, Nirschl AH, Wurtz NR, Luettgen JM, Rendina AR, Luo G, Harper TM, Wei A, Anumula R, Cheney DL, Knabb RM, Wong PC, Wexler RR, Priestley ES.: Design and Synthesis of Phenylpyrrolidine Phenylglycinamides As Highly Potent and Selective TF-FVIIa Inhibitors. ACS Med Chem Lett, Volume 5 (2), 2014";ChEMBL
MM474452;MM474452;CCOc1cc(C(Nc2ccc3c(N)nccc3c2)C(=O)N2CCCC2c2cc(NC(=O)OC)ccc2S(=O)(=O)C(C)C)ccc1OC(C)C;GSIPROWHYYPSSO-KAODMTDESA-N;703.86;6.88;57942727;;;CHEMBL3114846;GENER;EPAM;25;0;"<a href=https://www.ebi.ac.uk/chembl/assay_report_card/CHEMBL3116757/  target=_blank>CHEMBL3116757</a>";;;;;;;;;-6.15;;;;;;;;;;;;"Zhang X, Jiang W, Jacutin-Porte S, Glunz PW, Zou Y, Cheng X, Nirschl AH, Wurtz NR, Luettgen JM, Rendina AR, Luo G, Harper TM, Wei A, Anumula R, Cheney DL, Knabb RM, Wong PC, Wexler RR, Priestley ES.: Design and Synthesis of Phenylpyrrolidine Phenylglycinamides As Highly Potent and Selective TF-FVIIa Inhibitors. ACS Med Chem Lett, Volume 5 (2), 2014";ChEMBL
MM474451;MM474451;COC(=O)Nc1ccc(S(=O)(=O)C(C)C)c(C2CCCN2C(=O)C(Nc2ccc3c(N)nccc3c2)c2ccccc2)c1;AANRJYFZAKVMPG-XRKRLSELSA-N;601.73;5.69;57942687;;;CHEMBL3114847;GENER;EPAM;25;0;"<a href=https://www.ebi.ac.uk/chembl/assay_report_card/CHEMBL3116757/  target=_blank>CHEMBL3116757</a>";;;;;;;;;-5.24;;;;;;;;;;;;"Zhang X, Jiang W, Jacutin-Porte S, Glunz PW, Zou Y, Cheng X, Nirschl AH, Wurtz NR, Luettgen JM, Rendina AR, Luo G, Harper TM, Wei A, Anumula R, Cheney DL, Knabb RM, Wong PC, Wexler RR, Priestley ES.: Design and Synthesis of Phenylpyrrolidine Phenylglycinamides As Highly Potent and Selective TF-FVIIa Inhibitors. ACS Med Chem Lett, Volume 5 (2), 2014";ChEMBL
MM474450;MM474450;COC(=O)Nc1ccc(S(=O)(=O)C(C)C)c(C2CCCN2C(=O)C(Nc2ccc3c(N)nccc3c2)c2cccc(OC(F)F)c2)c1;LVKNSMJYNKDZKL-XRKRLSELSA-N;667.74;6.3;57942835;;;CHEMBL3114848;GENER;EPAM;25;0;"<a href=https://www.ebi.ac.uk/chembl/assay_report_card/CHEMBL3116757/  target=_blank>CHEMBL3116757</a>";;;;;;;;;-6.15;;;;;;;;;;;;"Zhang X, Jiang W, Jacutin-Porte S, Glunz PW, Zou Y, Cheng X, Nirschl AH, Wurtz NR, Luettgen JM, Rendina AR, Luo G, Harper TM, Wei A, Anumula R, Cheney DL, Knabb RM, Wong PC, Wexler RR, Priestley ES.: Design and Synthesis of Phenylpyrrolidine Phenylglycinamides As Highly Potent and Selective TF-FVIIa Inhibitors. ACS Med Chem Lett, Volume 5 (2), 2014";ChEMBL
MM471805;MM471805;Cc1ccc(S(=O)(=O)n2c(N)nc3ccccc32)cc1;;287.34;2.16;;;;CHEMBL1412853;GENER;EPAM;25;0;"ph = 5, <a href=https://www.ebi.ac.uk/chembl/assay_report_card/CHEMBL2020306/  target=_blank>CHEMBL2020306</a>";;;;;;;;;-5.3;;;;;;;;;;;;"Khan PM, Correa RG, Divlianska DB, Peddibhotla S, Sessions EH, Magnuson G, Brown B, Suyama E, Yuan H, Mangravita-Novo A, Vicchiarelli M, Su Y, Vasile S, Smith LH, Diaz PW, Reed JC, Roth GP.: Identification of Inhibitors of NOD1-Induced Nuclear Factor-κB Activation. ACS Med Chem Lett, Volume 2 (10), 2011";ChEMBL
MM474449;MM474449;COC(=O)Nc1ccc(S(=O)(=O)C(C)C)c([C@H]2CCCN2C(=O)[C@H](Nc2ccc3c(N)nccc3c2)c2ccc(OC)c(OC)c2)c1;JAXUEOKMIODUOS-DLFZDVPBSA-N;661.78;5.71;;;;;GENER;EPAM;25;0;"<a href=https://www.ebi.ac.uk/chembl/assay_report_card/CHEMBL3116757/  target=_blank>CHEMBL3116757</a>";;;;;;;;;-6.7;;;;;;;;;;;;"Zhang X, Jiang W, Jacutin-Porte S, Glunz PW, Zou Y, Cheng X, Nirschl AH, Wurtz NR, Luettgen JM, Rendina AR, Luo G, Harper TM, Wei A, Anumula R, Cheney DL, Knabb RM, Wong PC, Wexler RR, Priestley ES.: Design and Synthesis of Phenylpyrrolidine Phenylglycinamides As Highly Potent and Selective TF-FVIIa Inhibitors. ACS Med Chem Lett, Volume 5 (2), 2014";ChEMBL
MM471805;MM471805;Cc1ccc(S(=O)(=O)n2c(N)nc3ccccc32)cc1;;287.34;2.16;;;;CHEMBL1412853;GENER;EPAM;25;0;"ph = 6.2, <a href=https://www.ebi.ac.uk/chembl/assay_report_card/CHEMBL2020307/  target=_blank>CHEMBL2020307</a>";;;;;;;;;-5.21;;;;;;;;;;;;"Khan PM, Correa RG, Divlianska DB, Peddibhotla S, Sessions EH, Magnuson G, Brown B, Suyama E, Yuan H, Mangravita-Novo A, Vicchiarelli M, Su Y, Vasile S, Smith LH, Diaz PW, Reed JC, Roth GP.: Identification of Inhibitors of NOD1-Induced Nuclear Factor-κB Activation. ACS Med Chem Lett, Volume 2 (10), 2011";ChEMBL
MM474459;MM474459;CCOc1cc(C(Nc2ccc3c(N)nccc3c2)C(=O)NCc2ccccc2)ccc1OC(C)C;KOLZRJYVOYSZGO-UHFFFAOYSA-N;484.6;5.47;76310575;;;CHEMBL3114850;GENER;EPAM;25;0;"<a href=https://www.ebi.ac.uk/chembl/assay_report_card/CHEMBL3116757/  target=_blank>CHEMBL3116757</a>";;;;;;;;;-5.32;;;;;;;;;;;;"Zhang X, Jiang W, Jacutin-Porte S, Glunz PW, Zou Y, Cheng X, Nirschl AH, Wurtz NR, Luettgen JM, Rendina AR, Luo G, Harper TM, Wei A, Anumula R, Cheney DL, Knabb RM, Wong PC, Wexler RR, Priestley ES.: Design and Synthesis of Phenylpyrrolidine Phenylglycinamides As Highly Potent and Selective TF-FVIIa Inhibitors. ACS Med Chem Lett, Volume 5 (2), 2014";ChEMBL
MM471805;MM471805;Cc1ccc(S(=O)(=O)n2c(N)nc3ccccc32)cc1;;287.34;2.16;;;;CHEMBL1412853;GENER;EPAM;25;0;"ph = 7.4, <a href=https://www.ebi.ac.uk/chembl/assay_report_card/CHEMBL2020308/  target=_blank>CHEMBL2020308</a>";;;;;;;;;-5.13;;;;;;;;;;;;"Khan PM, Correa RG, Divlianska DB, Peddibhotla S, Sessions EH, Magnuson G, Brown B, Suyama E, Yuan H, Mangravita-Novo A, Vicchiarelli M, Su Y, Vasile S, Smith LH, Diaz PW, Reed JC, Roth GP.: Identification of Inhibitors of NOD1-Induced Nuclear Factor-κB Activation. ACS Med Chem Lett, Volume 2 (10), 2011";ChEMBL
MM474458;MM474458;CCOc1cc(C(Nc2ccc3c(N)nccc3c2)C(=O)NCc2cccc(NC(C)=O)c2)ccc1OC(C)C;UKRTUGXKHNJCBG-UHFFFAOYSA-N;541.65;5.43;11984565;;;CHEMBL3114852;GENER;EPAM;25;0;"<a href=https://www.ebi.ac.uk/chembl/assay_report_card/CHEMBL3116757/  target=_blank>CHEMBL3116757</a>";;;;;;;;;-7;;;;;;;;;;;;"Zhang X, Jiang W, Jacutin-Porte S, Glunz PW, Zou Y, Cheng X, Nirschl AH, Wurtz NR, Luettgen JM, Rendina AR, Luo G, Harper TM, Wei A, Anumula R, Cheney DL, Knabb RM, Wong PC, Wexler RR, Priestley ES.: Design and Synthesis of Phenylpyrrolidine Phenylglycinamides As Highly Potent and Selective TF-FVIIa Inhibitors. ACS Med Chem Lett, Volume 5 (2), 2014";ChEMBL
MM471923;MM471923;COc1ccc(-c2nc3c(c(Nc4ccc(CC(=O)O)c(F)c4)n2)S(=O)(=O)CCC3)cc1F;ONTYRRHLBFPVPK-UHFFFAOYSA-N;475.47;3.52;76325107;;;CHEMBL3114948;GENER;EPAM;25;0;"ph = 7.4, <a href=https://www.ebi.ac.uk/chembl/assay_report_card/CHEMBL3117332/  target=_blank>CHEMBL3117332</a>";;;;;;;;;-4.84;;;;;;;;;;;;"Goto T, Shiina A, Murata T, Tomii M, Yamazaki T, Yoshida K, Yoshino T, Suzuki O, Sogawa Y, Mizukami K, Takagi N, Yoshitomi T, Etori M, Tsuchida H, Mikkaichi T, Nakao N, Takahashi M, Takahashi H, Sasaki S.: Identification of the 5,5-dioxo-7,8-dihydro-6H-thiopyrano[3,2-d]pyrimidine derivatives as highly selective PDE4B inhibitors. Bioorg Med Chem Lett, Volume 24 (3), 2014";ChEMBL
MM472035;MM472035;CCC(NC(=O)OC)C(=O)N1CCCC1c1ncc(-c2ccc(-c3ccc(-c4cnc(C5CCCN5C(=O)C(CC)NC(=O)OC)[nH]4)cc3)cc2)[nH]1;YBVNONPLRJIVKN-KOUWNTBJSA-N;710.84;5.73;76328874;;;CHEMBL3121145;GENER;EPAM;25;0;"ph = 7.4, <a href=https://www.ebi.ac.uk/chembl/assay_report_card/CHEMBL3123748/  target=_blank>CHEMBL3123748</a>";;;;;;;;;-4.42;;;;;;;;;;;;"Belema M, Nguyen VN, Bachand C, Deon DH, Goodrich JT, James CA, Lavoie R, Lopez OD, Martel A, Romine JL, Ruediger EH, Snyder LB, St Laurent DR, Yang F, Zhu J, Wong HS, Langley DR, Adams SP, Cantor GH, Chimalakonda A, Fura A, Johnson BM, Knipe JO, Parker DD, Santone KS, Fridell RA, Lemm JA, O'Boyle DR, Colonno RJ, Gao M, Meanwell NA, Hamann LG.: Hepatitis C virus NS5A replication complex inhibitors: the discovery of daclatasvir. J Med Chem, Volume 57 (5), 2014";ChEMBL
Progesterone;MM00198;CC(=O)C1CCC2C3CCC4=CC(=O)CCC4(C)C3CCC12C;RJKFOVLPORLFTN-UHFFFAOYSA-N;314.47;4.72;5994;DB00396;STR;CHEMBL103;BBB;EPAM;25;0;"<a href=https://www.ebi.ac.uk/chembl/assay_report_card/CHEMBL3384483/  target=_blank>CHEMBL3384483</a>";;;;;;;;;-5.38;;;;;;;;;;;;"Lan JS, Xie SS, Li SY, Pan LF, Wang XB, Kong LY.: Design, synthesis and evaluation of novel tacrine-(β-carboline) hybrids as multifunctional agents for the treatment of Alzheimer's disease. Bioorg Med Chem, Volume 22 (21), 2014";ChEMBL
MM472033;MM472033;COC(=O)NC(C(=O)N1CCCC1c1ncc(-c2ccc(-c3ccc(-c4cnc(C5CCCN5C(=O)C(NC(=O)OC)C(C)OC)[nH]4)cc3)cc2)[nH]1)C(C)OC;PDXDRMNNOXHMKS-PVDPSSSFSA-N;770.89;4.98;76321714;;;CHEMBL3121146;GENER;EPAM;25;0;"ph = 7.4, <a href=https://www.ebi.ac.uk/chembl/assay_report_card/CHEMBL3123748/  target=_blank>CHEMBL3123748</a>";;;;;;;;;-4.56;;;;;;;;;;;;"Belema M, Nguyen VN, Bachand C, Deon DH, Goodrich JT, James CA, Lavoie R, Lopez OD, Martel A, Romine JL, Ruediger EH, Snyder LB, St Laurent DR, Yang F, Zhu J, Wong HS, Langley DR, Adams SP, Cantor GH, Chimalakonda A, Fura A, Johnson BM, Knipe JO, Parker DD, Santone KS, Fridell RA, Lemm JA, O'Boyle DR, Colonno RJ, Gao M, Meanwell NA, Hamann LG.: Hepatitis C virus NS5A replication complex inhibitors: the discovery of daclatasvir. J Med Chem, Volume 57 (5), 2014";ChEMBL
MM472032;MM472032;COC(=O)NC(C(=O)N1CCCC1c1ncc(-c2ccc(-c3ccc(-c4cnc(C5CCCN5C(=O)C(NC(=O)OC)C5CC5)[nH]4)cc3)cc2)[nH]1)C1CC1;HLIPLFQSNFGEBV-CUPIEXAXSA-N;734.86;5.73;76317987;;;CHEMBL3121147;GENER;EPAM;25;0;"ph = 7.4, <a href=https://www.ebi.ac.uk/chembl/assay_report_card/CHEMBL3123748/  target=_blank>CHEMBL3123748</a>";;;;;;;;;-4.3;;;;;;;;;;;;"Belema M, Nguyen VN, Bachand C, Deon DH, Goodrich JT, James CA, Lavoie R, Lopez OD, Martel A, Romine JL, Ruediger EH, Snyder LB, St Laurent DR, Yang F, Zhu J, Wong HS, Langley DR, Adams SP, Cantor GH, Chimalakonda A, Fura A, Johnson BM, Knipe JO, Parker DD, Santone KS, Fridell RA, Lemm JA, O'Boyle DR, Colonno RJ, Gao M, Meanwell NA, Hamann LG.: Hepatitis C virus NS5A replication complex inhibitors: the discovery of daclatasvir. J Med Chem, Volume 57 (5), 2014";ChEMBL
MM472031;MM472031;CCN(CC)C(C(=O)N1CCCC1c1ncc(-c2ccc(-c3ccc(-c4cnc(C5CCCN5C(=O)C(C)NC(=O)OC)[nH]4)cc3)cc2)[nH]1)c1ccccc1;XGOPQHNOBPMOHT-QQFMLMFISA-N;742.93;7.29;57611057;;;CHEMBL3121151;GENER;EPAM;25;0;"ph = 7.4, <a href=https://www.ebi.ac.uk/chembl/assay_report_card/CHEMBL3123748/  target=_blank>CHEMBL3123748</a>";;;;;;;;;-4.6;;;;;;;;;;;;"Belema M, Nguyen VN, Bachand C, Deon DH, Goodrich JT, James CA, Lavoie R, Lopez OD, Martel A, Romine JL, Ruediger EH, Snyder LB, St Laurent DR, Yang F, Zhu J, Wong HS, Langley DR, Adams SP, Cantor GH, Chimalakonda A, Fura A, Johnson BM, Knipe JO, Parker DD, Santone KS, Fridell RA, Lemm JA, O'Boyle DR, Colonno RJ, Gao M, Meanwell NA, Hamann LG.: Hepatitis C virus NS5A replication complex inhibitors: the discovery of daclatasvir. J Med Chem, Volume 57 (5), 2014";ChEMBL
MM472030;MM472030;CCC(NC(=O)OC)C(=O)N1CCCC1c1ncc(-c2ccc(-c3ccc(-c4cnc(C5CCCN5C(=O)C(c5ccccc5)N(CC)CC)[nH]4)cc3)cc2)[nH]1;XEOBFNKXGTZKAX-AECIOGPLSA-N;756.95;7.68;76325332;;;CHEMBL3121152;GENER;EPAM;25;0;"ph = 7.4, <a href=https://www.ebi.ac.uk/chembl/assay_report_card/CHEMBL3123748/  target=_blank>CHEMBL3123748</a>";;;;;;;;;-4.44;;;;;;;;;;;;"Belema M, Nguyen VN, Bachand C, Deon DH, Goodrich JT, James CA, Lavoie R, Lopez OD, Martel A, Romine JL, Ruediger EH, Snyder LB, St Laurent DR, Yang F, Zhu J, Wong HS, Langley DR, Adams SP, Cantor GH, Chimalakonda A, Fura A, Johnson BM, Knipe JO, Parker DD, Santone KS, Fridell RA, Lemm JA, O'Boyle DR, Colonno RJ, Gao M, Meanwell NA, Hamann LG.: Hepatitis C virus NS5A replication complex inhibitors: the discovery of daclatasvir. J Med Chem, Volume 57 (5), 2014";ChEMBL
Progesterone;MM00198;CC(=O)C1CCC2C3CCC4=CC(=O)CCC4(C)C3CCC12C;RJKFOVLPORLFTN-UHFFFAOYSA-N;314.47;4.72;5994;DB00396;STR;CHEMBL103;BBB;EPAM;25;0;"<a href=https://www.ebi.ac.uk/chembl/assay_report_card/CHEMBL3859151/  target=_blank>CHEMBL3859151</a>";;;;;;;;;-5.03;;;;;;;;;;;;"Sola I, Artigas A, Taylor MC, Pérez-Areales FJ, Viayna E, Clos MV, Pérez B, Wright CW, Kelly JM, Muñoz-Torrero D.: Synthesis and biological evaluation of N-cyanoalkyl-, N-aminoalkyl-, and N-guanidinoalkyl-substituted 4-aminoquinoline derivatives as potent, selective, brain permeable antitrypanosomal agents. Bioorg Med Chem, Volume 24 (21), 2016";ChEMBL
MM472029;MM472029;CCN(CC)C(C(=O)N1CCCC1c1ncc(-c2ccc(-c3ccc(-c4cnc(C5CCCN5C(=O)C(NC(=O)OC)C(C)C)[nH]4)cc3)cc2)[nH]1)c1ccccc1;XMAZSFZDDZFBNC-IJERZTCISA-N;770.98;7.92;76328876;;;CHEMBL3121153;GENER;EPAM;25;0;"ph = 7.4, <a href=https://www.ebi.ac.uk/chembl/assay_report_card/CHEMBL3123748/  target=_blank>CHEMBL3123748</a>";;;;;;;;;-4.15;;;;;;;;;;;;"Belema M, Nguyen VN, Bachand C, Deon DH, Goodrich JT, James CA, Lavoie R, Lopez OD, Martel A, Romine JL, Ruediger EH, Snyder LB, St Laurent DR, Yang F, Zhu J, Wong HS, Langley DR, Adams SP, Cantor GH, Chimalakonda A, Fura A, Johnson BM, Knipe JO, Parker DD, Santone KS, Fridell RA, Lemm JA, O'Boyle DR, Colonno RJ, Gao M, Meanwell NA, Hamann LG.: Hepatitis C virus NS5A replication complex inhibitors: the discovery of daclatasvir. J Med Chem, Volume 57 (5), 2014";ChEMBL
MM472046;MM472046;O=C(C(c1ccccc1)N1CCOCC1)N1CCCC1c1ncc(-c2ccc(-c3ccc(-c4cnc(C5CCCN5C(=O)C(c5ccccc5)N5CCOCC5)[nH]4)cc3)cc2)[nH]1;QFTOZIFOZMBEEH-LZCGGXSTSA-N;831.03;7.61;67146760;;;CHEMBL3121156;GENER;EPAM;25;0;"ph = 7.4, <a href=https://www.ebi.ac.uk/chembl/assay_report_card/CHEMBL3123748/  target=_blank>CHEMBL3123748</a>";;;;;;;;;-4.46;;;;;;;;;;;;"Belema M, Nguyen VN, Bachand C, Deon DH, Goodrich JT, James CA, Lavoie R, Lopez OD, Martel A, Romine JL, Ruediger EH, Snyder LB, St Laurent DR, Yang F, Zhu J, Wong HS, Langley DR, Adams SP, Cantor GH, Chimalakonda A, Fura A, Johnson BM, Knipe JO, Parker DD, Santone KS, Fridell RA, Lemm JA, O'Boyle DR, Colonno RJ, Gao M, Meanwell NA, Hamann LG.: Hepatitis C virus NS5A replication complex inhibitors: the discovery of daclatasvir. J Med Chem, Volume 57 (5), 2014";ChEMBL
MM472045;MM472045;CCN(CC)C(C(=O)N1CCCC1c1ncc(-c2ccc(-c3ccc(-c4cnc(C5CCCN5C(=O)C(c5ccccc5)N5CCCCC5)[nH]4)cc3)cc2)[nH]1)c1ccccc1;RMQJWLMQNJHBGN-YODRRRGSSA-N;815.08;9.77;76332556;;;CHEMBL3121158;GENER;EPAM;25;0;"ph = 7.4, <a href=https://www.ebi.ac.uk/chembl/assay_report_card/CHEMBL3123748/  target=_blank>CHEMBL3123748</a>";;;;;;;;;-4.47;;;;;;;;;;;;"Belema M, Nguyen VN, Bachand C, Deon DH, Goodrich JT, James CA, Lavoie R, Lopez OD, Martel A, Romine JL, Ruediger EH, Snyder LB, St Laurent DR, Yang F, Zhu J, Wong HS, Langley DR, Adams SP, Cantor GH, Chimalakonda A, Fura A, Johnson BM, Knipe JO, Parker DD, Santone KS, Fridell RA, Lemm JA, O'Boyle DR, Colonno RJ, Gao M, Meanwell NA, Hamann LG.: Hepatitis C virus NS5A replication complex inhibitors: the discovery of daclatasvir. J Med Chem, Volume 57 (5), 2014";ChEMBL
Progesterone;MM00198;CC(=O)C1CCC2C3CCC4=CC(=O)CCC4(C)C3CCC12C;RJKFOVLPORLFTN-UHFFFAOYSA-N;314.47;4.72;5994;DB00396;STR;CHEMBL103;BBB;EPAM;25;0;"<a href=https://www.ebi.ac.uk/chembl/assay_report_card/CHEMBL3383778/  target=_blank>CHEMBL3383778</a>";;;;;;;;;-4.77;;;;;;;;;;;;"Sola I, Artigas A, Taylor MC, Gbedema SY, Pérez B, Clos MV, Wright CW, Kelly JM, Muñoz-Torrero D.: Synthesis and antiprotozoal activity of oligomethylene- and  p-phenylene-bis(methylene)-linked bis(+)-huprines. Bioorg Med Chem Lett, Volume 24 (23), 2014";ChEMBL
MM472044;MM472044;COC(=O)NC(C(=O)N1CCCC1c1ncc(-c2ccc(-c3ccc(-c4cnc(C5CCCN5C(=O)CNC(C)=O)[nH]4)cc3)cc2)[nH]1)c1ccccc1;GFTWVAQPXPBIOS-IXQHYERASA-N;714.83;5.69;76317988;;;CHEMBL3121159;GENER;EPAM;25;0;"ph = 7.4, <a href=https://www.ebi.ac.uk/chembl/assay_report_card/CHEMBL3123748/  target=_blank>CHEMBL3123748</a>";;;;;;;;;-5.92;;;;;;;;;;;;"Belema M, Nguyen VN, Bachand C, Deon DH, Goodrich JT, James CA, Lavoie R, Lopez OD, Martel A, Romine JL, Ruediger EH, Snyder LB, St Laurent DR, Yang F, Zhu J, Wong HS, Langley DR, Adams SP, Cantor GH, Chimalakonda A, Fura A, Johnson BM, Knipe JO, Parker DD, Santone KS, Fridell RA, Lemm JA, O'Boyle DR, Colonno RJ, Gao M, Meanwell NA, Hamann LG.: Hepatitis C virus NS5A replication complex inhibitors: the discovery of daclatasvir. J Med Chem, Volume 57 (5), 2014";ChEMBL
Progesterone;MM00198;CC(=O)C1CCC2C3CCC4=CC(=O)CCC4(C)C3CCC12C;RJKFOVLPORLFTN-UHFFFAOYSA-N;314.47;4.72;5994;DB00396;STR;CHEMBL103;BBB;EPAM;25;0;"<a href=https://www.ebi.ac.uk/chembl/assay_report_card/CHEMBL3396583/  target=_blank>CHEMBL3396583</a>";;;;;;;;;-5.38;;;;;;;;;;;;"Huang M, Xie SS, Jiang N, Lan JS, Kong LY, Wang XB.: Multifunctional coumarin derivatives: monoamine oxidase B (MAO-B) inhibition, anti-β-amyloid (Aβ) aggregation and metal chelation properties against Alzheimer's disease. Bioorg Med Chem Lett, Volume 25 (3), 2015";ChEMBL
MM472043;MM472043;COC(=O)NC(C(=O)N1CCCC1c1ncc(-c2ccc(-c3ccc(-c4cnc(C5CCCN5C(=O)C(C)NC(C)=O)[nH]4)cc3)cc2)[nH]1)c1ccccc1;UUYKXFQVUGBWHR-RXDRZPENSA-N;728.85;6.08;76310796;;;CHEMBL3121160;GENER;EPAM;25;0;"ph = 7.4, <a href=https://www.ebi.ac.uk/chembl/assay_report_card/CHEMBL3123748/  target=_blank>CHEMBL3123748</a>";;;;;;;;;-5.55;;;;;;;;;;;;"Belema M, Nguyen VN, Bachand C, Deon DH, Goodrich JT, James CA, Lavoie R, Lopez OD, Martel A, Romine JL, Ruediger EH, Snyder LB, St Laurent DR, Yang F, Zhu J, Wong HS, Langley DR, Adams SP, Cantor GH, Chimalakonda A, Fura A, Johnson BM, Knipe JO, Parker DD, Santone KS, Fridell RA, Lemm JA, O'Boyle DR, Colonno RJ, Gao M, Meanwell NA, Hamann LG.: Hepatitis C virus NS5A replication complex inhibitors: the discovery of daclatasvir. J Med Chem, Volume 57 (5), 2014";ChEMBL
MM472042;MM472042;COC(=O)N[C@@H](C(=O)N1CCC[C@H]1c1ncc(-c2ccc(-c3ccc(-c4cnc([C@@H]5CCCN5C(=O)[C@H](C)NC(C)=O)[nH]4)cc3)cc2)[nH]1)c1ccccc1;UUYKXFQVUGBWHR-NIRYMDOFSA-N;728.85;6.08;;;;;GENER;EPAM;25;0;"ph = 7.4, <a href=https://www.ebi.ac.uk/chembl/assay_report_card/CHEMBL3123748/  target=_blank>CHEMBL3123748</a>";;;;;;;;;-5;;;;;;;;;;;;"Belema M, Nguyen VN, Bachand C, Deon DH, Goodrich JT, James CA, Lavoie R, Lopez OD, Martel A, Romine JL, Ruediger EH, Snyder LB, St Laurent DR, Yang F, Zhu J, Wong HS, Langley DR, Adams SP, Cantor GH, Chimalakonda A, Fura A, Johnson BM, Knipe JO, Parker DD, Santone KS, Fridell RA, Lemm JA, O'Boyle DR, Colonno RJ, Gao M, Meanwell NA, Hamann LG.: Hepatitis C virus NS5A replication complex inhibitors: the discovery of daclatasvir. J Med Chem, Volume 57 (5), 2014";ChEMBL
MM472041;MM472041;COC(=O)NC(C)C(=O)N1CCCC1c1ncc(-c2ccc(-c3ccc(-c4cnc(C5CCCN5C(=O)C(NC(=O)OC)c5ccccc5)[nH]4)cc3)cc2)[nH]1;FKXRJGFBBIQBKT-RTZKUTJSSA-N;744.85;6.3;76310797;;;CHEMBL3121162;GENER;EPAM;25;0;"ph = 7.4, <a href=https://www.ebi.ac.uk/chembl/assay_report_card/CHEMBL3123748/  target=_blank>CHEMBL3123748</a>";;;;;;;;;-4.44;;;;;;;;;;;;"Belema M, Nguyen VN, Bachand C, Deon DH, Goodrich JT, James CA, Lavoie R, Lopez OD, Martel A, Romine JL, Ruediger EH, Snyder LB, St Laurent DR, Yang F, Zhu J, Wong HS, Langley DR, Adams SP, Cantor GH, Chimalakonda A, Fura A, Johnson BM, Knipe JO, Parker DD, Santone KS, Fridell RA, Lemm JA, O'Boyle DR, Colonno RJ, Gao M, Meanwell NA, Hamann LG.: Hepatitis C virus NS5A replication complex inhibitors: the discovery of daclatasvir. J Med Chem, Volume 57 (5), 2014";ChEMBL
Progesterone;MM00198;CC(=O)C1CCC2C3CCC4=CC(=O)CCC4(C)C3CCC12C;RJKFOVLPORLFTN-UHFFFAOYSA-N;314.47;4.72;5994;DB00396;STR;CHEMBL103;BBB;EPAM;25;0;"<a href=https://www.ebi.ac.uk/chembl/assay_report_card/CHEMBL3364959/  target=_blank>CHEMBL3364959</a>";;;;;;;;;-4.77;;;;;;;;;;;;"Di Pietro O, Pérez-Areales FJ, Juárez-Jiménez J, Espargaró A, Clos MV, Pérez B, Lavilla R, Sabaté R, Luque FJ, Muñoz-Torrero D.: Tetrahydrobenzo[h][1,6]naphthyridine-6-chlorotacrine hybrids as a new family of anti-Alzheimer agents targeting β-amyloid, tau, and cholinesterase pathologies. Eur J Med Chem, Volume 84, 2014";ChEMBL
MM472040;MM472040;COC(=O)NC(C)C(=O)N1CCCC1c1ncc(-c2ccc(-c3ccc(-c4cnc(C5CCCN5C(=O)C(C)NC(=O)OC)[nH]4)cc3)cc2)[nH]1;QKVLNVCKLMSHBX-OBMDHMNCSA-N;682.78;4.95;76314424;;;CHEMBL3121163;GENER;EPAM;25;0;"ph = 7.4, <a href=https://www.ebi.ac.uk/chembl/assay_report_card/CHEMBL3123748/  target=_blank>CHEMBL3123748</a>";;;;;;;;;-4.68;;;;;;;;;;;;"Belema M, Nguyen VN, Bachand C, Deon DH, Goodrich JT, James CA, Lavoie R, Lopez OD, Martel A, Romine JL, Ruediger EH, Snyder LB, St Laurent DR, Yang F, Zhu J, Wong HS, Langley DR, Adams SP, Cantor GH, Chimalakonda A, Fura A, Johnson BM, Knipe JO, Parker DD, Santone KS, Fridell RA, Lemm JA, O'Boyle DR, Colonno RJ, Gao M, Meanwell NA, Hamann LG.: Hepatitis C virus NS5A replication complex inhibitors: the discovery of daclatasvir. J Med Chem, Volume 57 (5), 2014";ChEMBL
MM472039;MM472039;COC(=O)N[C@H](C)C(=O)N1CCC[C@H]1c1ncc(-c2ccc(-c3ccc(-c4cnc([C@@H]5CCCN5C(=O)[C@@H](C)NC(=O)OC)[nH]4)cc3)cc2)[nH]1;QKVLNVCKLMSHBX-UFDDTGEXSA-N;682.78;4.95;;;;;GENER;EPAM;25;0;"ph = 7.4, <a href=https://www.ebi.ac.uk/chembl/assay_report_card/CHEMBL3123748/  target=_blank>CHEMBL3123748</a>";;;;;;;;;-5.33;;;;;;;;;;;;"Belema M, Nguyen VN, Bachand C, Deon DH, Goodrich JT, James CA, Lavoie R, Lopez OD, Martel A, Romine JL, Ruediger EH, Snyder LB, St Laurent DR, Yang F, Zhu J, Wong HS, Langley DR, Adams SP, Cantor GH, Chimalakonda A, Fura A, Johnson BM, Knipe JO, Parker DD, Santone KS, Fridell RA, Lemm JA, O'Boyle DR, Colonno RJ, Gao M, Meanwell NA, Hamann LG.: Hepatitis C virus NS5A replication complex inhibitors: the discovery of daclatasvir. J Med Chem, Volume 57 (5), 2014";ChEMBL
MM471401;MM471401;CS(=O)(=O)NCCCc1ccccc1;;213.3;1.17;1744854;;;CHEMBL1431050;GENER;EPAM;25;0;"ph = 7.4, <a href=https://www.ebi.ac.uk/chembl/assay_report_card/CHEMBL3801192/  target=_blank>CHEMBL3801192</a>";;;;;;;;;-4.98;;;;;;;;;;;;"Lassalas P, Gay B, Lasfargeas C, James MJ, Tran V, Vijayendran KG, Brunden KR, Kozlowski MC, Thomas CJ, Smith AB, Huryn DM, Ballatore C.: Structure Property Relationships of Carboxylic Acid Isosteres. J Med Chem, Volume 59 (7), 2016";ChEMBL
MM472038;MM472038;CCOC(=O)NC(C)C(=O)N1CCCC1c1ncc(-c2ccc(-c3ccc(-c4cnc(C5CCCN5C(=O)C(C)NC(=O)OCC)[nH]4)cc3)cc2)[nH]1;CGRSHTWPPAJABY-UDRQUUIHSA-N;710.84;5.73;76332557;;;CHEMBL3121165;GENER;EPAM;25;0;"ph = 7.4, <a href=https://www.ebi.ac.uk/chembl/assay_report_card/CHEMBL3123748/  target=_blank>CHEMBL3123748</a>";;;;;;;;;-4.35;;;;;;;;;;;;"Belema M, Nguyen VN, Bachand C, Deon DH, Goodrich JT, James CA, Lavoie R, Lopez OD, Martel A, Romine JL, Ruediger EH, Snyder LB, St Laurent DR, Yang F, Zhu J, Wong HS, Langley DR, Adams SP, Cantor GH, Chimalakonda A, Fura A, Johnson BM, Knipe JO, Parker DD, Santone KS, Fridell RA, Lemm JA, O'Boyle DR, Colonno RJ, Gao M, Meanwell NA, Hamann LG.: Hepatitis C virus NS5A replication complex inhibitors: the discovery of daclatasvir. J Med Chem, Volume 57 (5), 2014";ChEMBL
Progesterone;MM00198;CC(=O)C1CCC2C3CCC4=CC(=O)CCC4(C)C3CCC12C;RJKFOVLPORLFTN-UHFFFAOYSA-N;314.47;4.72;5994;DB00396;STR;CHEMBL103;BBB;EPAM;25;0;"<a href=https://www.ebi.ac.uk/chembl/assay_report_card/CHEMBL3412995/  target=_blank>CHEMBL3412995</a>";;;;;;;;;-5.12;;;;;;;;;;;;"Xie SS, Lan JS, Wang XB, Jiang N, Dong G, Li ZR, Wang KD, Guo PP, Kong LY.: Multifunctional tacrine-trolox hybrids for the treatment of Alzheimer's disease with cholinergic, antioxidant, neuroprotective and hepatoprotective properties. Eur J Med Chem, Volume 93, 2015";ChEMBL
MM471401;MM471401;CS(=O)(=O)NCCCc1ccccc1;;213.3;1.17;1744854;;;CHEMBL1431050;GENER;EPAM;25;0;"ph = 7.4, <a href=https://www.ebi.ac.uk/chembl/assay_report_card/CHEMBL3801194/  target=_blank>CHEMBL3801194</a>";;;;;;;;;-4.98;;;;;;;;;;;;"Lassalas P, Gay B, Lasfargeas C, James MJ, Tran V, Vijayendran KG, Brunden KR, Kozlowski MC, Thomas CJ, Smith AB, Huryn DM, Ballatore C.: Structure Property Relationships of Carboxylic Acid Isosteres. J Med Chem, Volume 59 (7), 2016";ChEMBL
Progesterone;MM00198;CC(=O)C1CCC2C3CCC4=CC(=O)CCC4(C)C3CCC12C;RJKFOVLPORLFTN-UHFFFAOYSA-N;314.47;4.72;5994;DB00396;STR;CHEMBL103;BBB;EPAM;25;0;"<a href=https://www.ebi.ac.uk/chembl/assay_report_card/CHEMBL3418564/  target=_blank>CHEMBL3418564</a>";;;;;;;;;-5.03;;;;;;;;;;;;"Xie SS, Wang X, Jiang N, Yu W, Wang KD, Lan JS, Li ZR, Kong LY.: Multi-target tacrine-coumarin hybrids: cholinesterase and monoamine oxidase B inhibition properties against Alzheimer's disease. Eur J Med Chem, Volume 95, 2015";ChEMBL
MM472037;MM472037;COC(=O)NC(C)(C)C(=O)N1CCCC1c1ncc(-c2ccc(-c3ccc(-c4cnc(C5CCCN5C(=O)C(C)(C)NC(=O)OC)[nH]4)cc3)cc2)[nH]1;RMQAYIMLUPWQHX-KYJUHHDHSA-N;710.84;5.73;76328879;;;CHEMBL3121231;GENER;EPAM;25;0;"ph = 7.4, <a href=https://www.ebi.ac.uk/chembl/assay_report_card/CHEMBL3123748/  target=_blank>CHEMBL3123748</a>";;;;;;;;;-5.59;;;;;;;;;;;;"Belema M, Nguyen VN, Bachand C, Deon DH, Goodrich JT, James CA, Lavoie R, Lopez OD, Martel A, Romine JL, Ruediger EH, Snyder LB, St Laurent DR, Yang F, Zhu J, Wong HS, Langley DR, Adams SP, Cantor GH, Chimalakonda A, Fura A, Johnson BM, Knipe JO, Parker DD, Santone KS, Fridell RA, Lemm JA, O'Boyle DR, Colonno RJ, Gao M, Meanwell NA, Hamann LG.: Hepatitis C virus NS5A replication complex inhibitors: the discovery of daclatasvir. J Med Chem, Volume 57 (5), 2014";ChEMBL
Progesterone;MM00198;CC(=O)C1CCC2C3CCC4=CC(=O)CCC4(C)C3CCC12C;RJKFOVLPORLFTN-UHFFFAOYSA-N;314.47;4.72;5994;DB00396;STR;CHEMBL103;BBB;EPAM;25;0;"<a href=https://www.ebi.ac.uk/chembl/assay_report_card/CHEMBL3743403/  target=_blank>CHEMBL3743403</a>";;;;;;;;;-5.03;;;;;;;;;;;;"Di Pietro O, Vicente-García E, Taylor MC, Berenguer D, Viayna E, Lanzoni A, Sola I, Sayago H, Riera C, Fisa R, Clos MV, Pérez B, Kelly JM, Lavilla R, Muñoz-Torrero D.: Multicomponent reaction-based synthesis and biological evaluation of tricyclic heterofused quinolines with multi-trypanosomatid activity. Eur J Med Chem, Volume 105, 2015";ChEMBL
MM472036;MM472036;COC(=O)NC1(C(=O)N2CCCC2c2ncc(-c3ccc(-c4ccc(-c5cnc(C6CCCN6C(=O)C6(NC(=O)OC)CC6)[nH]5)cc4)cc3)[nH]2)CC1;AGKUGPSLMQAOEN-KYJUHHDHSA-N;706.8;5.24;76325336;;;CHEMBL3121232;GENER;EPAM;25;0;"ph = 7.4, <a href=https://www.ebi.ac.uk/chembl/assay_report_card/CHEMBL3123748/  target=_blank>CHEMBL3123748</a>";;;;;;;;;-6.7;;;;;;;;;;;;"Belema M, Nguyen VN, Bachand C, Deon DH, Goodrich JT, James CA, Lavoie R, Lopez OD, Martel A, Romine JL, Ruediger EH, Snyder LB, St Laurent DR, Yang F, Zhu J, Wong HS, Langley DR, Adams SP, Cantor GH, Chimalakonda A, Fura A, Johnson BM, Knipe JO, Parker DD, Santone KS, Fridell RA, Lemm JA, O'Boyle DR, Colonno RJ, Gao M, Meanwell NA, Hamann LG.: Hepatitis C virus NS5A replication complex inhibitors: the discovery of daclatasvir. J Med Chem, Volume 57 (5), 2014";ChEMBL
Progesterone;MM00198;CC(=O)C1CCC2C3CCC4=CC(=O)CCC4(C)C3CCC12C;RJKFOVLPORLFTN-UHFFFAOYSA-N;314.47;4.72;5994;DB00396;STR;CHEMBL103;BBB;EPAM;25;0;"<a href=https://www.ebi.ac.uk/chembl/assay_report_card/CHEMBL3870528/  target=_blank>CHEMBL3870528</a>";;;;;;;;;-5.14;;;;;;;;;;;;"Wang ZM, Cai P, Liu QH, Xu DQ, Yang XL, Wu JJ, Kong LY, Wang XB.: Rational modification of donepezil as multifunctional acetylcholinesterase inhibitors for the treatment of Alzheimer's disease. Eur J Med Chem, Volume 123, 2016";ChEMBL
MM472058;MM472058;COc1ccc2c(c1)C1CC1(C(=O)N1CCN(C(C)=O)CC1)Cn1c-2c(C2CCCCC2)c2ccc(C(=O)NS(=O)(=O)N(C)C)cc21;BBLJZPXJPLUHQR-UHFFFAOYSA-N;661.83;4.08;76314629;;;CHEMBL3126655;GENER;EPAM;25;0;"ph = 7.4, <a href=https://www.ebi.ac.uk/chembl/assay_report_card/CHEMBL3128697/  target=_blank>CHEMBL3128697</a>";;;;;;;;;-4.47;;;;;;;;;;;;"Gentles RG, Ding M, Bender JA, Bergstrom CP, Grant-Young K, Hewawasam P, Hudyma T, Martin S, Nickel A, Regueiro-Ren A, Tu Y, Yang Z, Yeung KS, Zheng X, Chao S, Sun JH, Beno BR, Camac DM, Chang CH, Gao M, Morin PE, Sheriff S, Tredup J, Wan J, Witmer MR, Xie D, Hanumegowda U, Knipe J, Mosure K, Santone KS, Parker DD, Zhuo X, Lemm J, Liu M, Pelosi L, Rigat K, Voss S, Wang Y, Wang YK, Colonno RJ, Gao M, Roberts SB, Gao Q, Ng A, Meanwell NA, Kadow JF.: Discovery and preclinical characterization of the cyclopropylindolobenzazepine BMS-791325, a potent allosteric inhibitor of the hepatitis C virus NS5B polymerase. J Med Chem, Volume 57 (5), 2014";ChEMBL
Progesterone;MM00198;CC(=O)C1CCC2C3CCC4=CC(=O)CCC4(C)C3CCC12C;RJKFOVLPORLFTN-UHFFFAOYSA-N;314.47;4.72;5994;DB00396;STR;CHEMBL103;BBB;EPAM;25;0;"<a href=https://www.ebi.ac.uk/chembl/assay_report_card/CHEMBL3870551/  target=_blank>CHEMBL3870551</a>";;;;;;;;;-5.03;;;;;;;;;;;;"Wang ZM, Cai P, Liu QH, Xu DQ, Yang XL, Wu JJ, Kong LY, Wang XB.: Rational modification of donepezil as multifunctional acetylcholinesterase inhibitors for the treatment of Alzheimer's disease. Eur J Med Chem, Volume 123, 2016";ChEMBL
MM472057;MM472057;COc1ccc2c(c1)C1CC1(C(=O)N1CCN(C(=O)N(C)C)CC1)Cn1c-2c(C2CCCCC2)c2ccc(C(=O)NS(=O)(=O)N(C)C)cc21;AQLUFAYJVJVBOX-UHFFFAOYSA-N;690.87;4.21;76310996;;;CHEMBL3126656;GENER;EPAM;25;0;"ph = 7.4, <a href=https://www.ebi.ac.uk/chembl/assay_report_card/CHEMBL3128697/  target=_blank>CHEMBL3128697</a>";;;;;;;;;-4.37;;;;;;;;;;;;"Gentles RG, Ding M, Bender JA, Bergstrom CP, Grant-Young K, Hewawasam P, Hudyma T, Martin S, Nickel A, Regueiro-Ren A, Tu Y, Yang Z, Yeung KS, Zheng X, Chao S, Sun JH, Beno BR, Camac DM, Chang CH, Gao M, Morin PE, Sheriff S, Tredup J, Wan J, Witmer MR, Xie D, Hanumegowda U, Knipe J, Mosure K, Santone KS, Parker DD, Zhuo X, Lemm J, Liu M, Pelosi L, Rigat K, Voss S, Wang Y, Wang YK, Colonno RJ, Gao M, Roberts SB, Gao Q, Ng A, Meanwell NA, Kadow JF.: Discovery and preclinical characterization of the cyclopropylindolobenzazepine BMS-791325, a potent allosteric inhibitor of the hepatitis C virus NS5B polymerase. J Med Chem, Volume 57 (5), 2014";ChEMBL
MM472056;MM472056;COc1ccc2c(c1)C1CC1(C(=O)N1C3CNCC1C3)Cn1c-2c(C2CCCCC2)c2ccc(C(=O)NS(=O)(=O)N(C)C)cc21;QQJQXOIBORDNRE-UHFFFAOYSA-N;631.8;3.96;76336366;;;CHEMBL3126657;GENER;EPAM;25;0;"ph = 7.4, <a href=https://www.ebi.ac.uk/chembl/assay_report_card/CHEMBL3128697/  target=_blank>CHEMBL3128697</a>";;;;;;;;;-5.22;;;;;;;;;;;;"Gentles RG, Ding M, Bender JA, Bergstrom CP, Grant-Young K, Hewawasam P, Hudyma T, Martin S, Nickel A, Regueiro-Ren A, Tu Y, Yang Z, Yeung KS, Zheng X, Chao S, Sun JH, Beno BR, Camac DM, Chang CH, Gao M, Morin PE, Sheriff S, Tredup J, Wan J, Witmer MR, Xie D, Hanumegowda U, Knipe J, Mosure K, Santone KS, Parker DD, Zhuo X, Lemm J, Liu M, Pelosi L, Rigat K, Voss S, Wang Y, Wang YK, Colonno RJ, Gao M, Roberts SB, Gao Q, Ng A, Meanwell NA, Kadow JF.: Discovery and preclinical characterization of the cyclopropylindolobenzazepine BMS-791325, a potent allosteric inhibitor of the hepatitis C virus NS5B polymerase. J Med Chem, Volume 57 (5), 2014";ChEMBL
Progesterone;MM00198;CC(=O)C1CCC2C3CCC4=CC(=O)CCC4(C)C3CCC12C;RJKFOVLPORLFTN-UHFFFAOYSA-N;314.47;4.72;5994;DB00396;STR;CHEMBL103;BBB;EPAM;25;0;"ph = 7.4, <a href=https://www.ebi.ac.uk/chembl/assay_report_card/CHEMBL4005804/  target=_blank>CHEMBL4005804</a>";;;;;;;;;-4.31;;;;;;;;;;;;"Elkamhawy A, Park JE, Hassan AHE, Ra H, Pae AN, Lee J, Park BG, Moon B, Park HM, Roh EJ.: Discovery of 1-(3-(benzyloxy)pyridin-2-yl)-3-(2-(piperazin-1-yl)ethyl)urea: A new modulator for amyloid beta-induced mitochondrial dysfunction. Eur J Med Chem, Volume 128, 2017";ChEMBL
MM472055;MM472055;COc1ccc2c(c1)[C@@H]1C[C@]1(C(=O)N1C3CC1CN(C)C3)Cn1c-2c(C2CCCCC2)c2ccc(C(=O)NS(=O)(=O)N(C)C)cc21;SSVBJRBZPBDWRB-FTOUIILSSA-N;645.83;4.3;;;;;GENER;EPAM;25;0;"ph = 7.4, <a href=https://www.ebi.ac.uk/chembl/assay_report_card/CHEMBL3128697/  target=_blank>CHEMBL3128697</a>";;;;;;;;;-4.37;;;;;;;;;;;;"Gentles RG, Ding M, Bender JA, Bergstrom CP, Grant-Young K, Hewawasam P, Hudyma T, Martin S, Nickel A, Regueiro-Ren A, Tu Y, Yang Z, Yeung KS, Zheng X, Chao S, Sun JH, Beno BR, Camac DM, Chang CH, Gao M, Morin PE, Sheriff S, Tredup J, Wan J, Witmer MR, Xie D, Hanumegowda U, Knipe J, Mosure K, Santone KS, Parker DD, Zhuo X, Lemm J, Liu M, Pelosi L, Rigat K, Voss S, Wang Y, Wang YK, Colonno RJ, Gao M, Roberts SB, Gao Q, Ng A, Meanwell NA, Kadow JF.: Discovery and preclinical characterization of the cyclopropylindolobenzazepine BMS-791325, a potent allosteric inhibitor of the hepatitis C virus NS5B polymerase. J Med Chem, Volume 57 (5), 2014";ChEMBL
MM472054;MM472054;CCN1CC2CC(C1)N2C(=O)[C@]12C[C@H]1c1cc(OC)ccc1-c1c(C3CCCCC3)c3ccc(C(=O)NS(=O)(=O)N(C)C)cc3n1C2;IUJMDPKKCAMEQP-VSBZUFFNSA-N;659.85;4.69;;;;;GENER;EPAM;25;0;"ph = 7.4, <a href=https://www.ebi.ac.uk/chembl/assay_report_card/CHEMBL3128697/  target=_blank>CHEMBL3128697</a>";;;;;;;;;-4.57;;;;;;;;;;;;"Gentles RG, Ding M, Bender JA, Bergstrom CP, Grant-Young K, Hewawasam P, Hudyma T, Martin S, Nickel A, Regueiro-Ren A, Tu Y, Yang Z, Yeung KS, Zheng X, Chao S, Sun JH, Beno BR, Camac DM, Chang CH, Gao M, Morin PE, Sheriff S, Tredup J, Wan J, Witmer MR, Xie D, Hanumegowda U, Knipe J, Mosure K, Santone KS, Parker DD, Zhuo X, Lemm J, Liu M, Pelosi L, Rigat K, Voss S, Wang Y, Wang YK, Colonno RJ, Gao M, Roberts SB, Gao Q, Ng A, Meanwell NA, Kadow JF.: Discovery and preclinical characterization of the cyclopropylindolobenzazepine BMS-791325, a potent allosteric inhibitor of the hepatitis C virus NS5B polymerase. J Med Chem, Volume 57 (5), 2014";ChEMBL
MM472053;MM472053;COc1ccc2c(c1)C1CC1(C(=O)N1C3CC1CN(Cc1ccccc1)C3)Cn1c-2c(C2CCCCC2)c2ccc(C(=O)NS(=O)(=O)N(C)C)cc21;OWKZVJNUMQYDCJ-UHFFFAOYSA-N;721.92;5.87;75276948;;;CHEMBL3126836;GENER;EPAM;25;0;"ph = 7.4, <a href=https://www.ebi.ac.uk/chembl/assay_report_card/CHEMBL3128697/  target=_blank>CHEMBL3128697</a>";;;;;;;;;-4.25;;;;;;;;;;;;"Gentles RG, Ding M, Bender JA, Bergstrom CP, Grant-Young K, Hewawasam P, Hudyma T, Martin S, Nickel A, Regueiro-Ren A, Tu Y, Yang Z, Yeung KS, Zheng X, Chao S, Sun JH, Beno BR, Camac DM, Chang CH, Gao M, Morin PE, Sheriff S, Tredup J, Wan J, Witmer MR, Xie D, Hanumegowda U, Knipe J, Mosure K, Santone KS, Parker DD, Zhuo X, Lemm J, Liu M, Pelosi L, Rigat K, Voss S, Wang Y, Wang YK, Colonno RJ, Gao M, Roberts SB, Gao Q, Ng A, Meanwell NA, Kadow JF.: Discovery and preclinical characterization of the cyclopropylindolobenzazepine BMS-791325, a potent allosteric inhibitor of the hepatitis C virus NS5B polymerase. J Med Chem, Volume 57 (5), 2014";ChEMBL
MM471512;MM471512;CCN(CC)CCCC(C)Nc1ccnc2cc(C(F)(F)F)ccc12;;353.43;5.18;224869;;;CHEMBL144539;GENER;EPAM;25;0;"ph = 5, <a href=https://www.ebi.ac.uk/chembl/assay_report_card/CHEMBL1103811/  target=_blank>CHEMBL1103811</a>";;;;;;;;;-5.7;;;;;;;;;;;;"Ray S, Madrid PB, Catz P, LeValley SE, Furniss MJ, Rausch LL, Guy RK, DeRisi JL, Iyer LV, Green CE, Mirsalis JC.: Development of a new generation of 4-aminoquinoline antimalarial compounds using predictive pharmacokinetic and toxicology models. J Med Chem, Volume 53 (9), 2010";ChEMBL
MM472052;MM472052;COc1ccc2c(c1)C1CC1(C(=O)N1C3CCC1CNC3)Cn1c-2c(C2CCCCC2)c2ccc(C(=O)NS(=O)(=O)N(C)C)cc21;UCNRDEOTNRRDSE-UHFFFAOYSA-N;645.83;4.35;25018323;;;CHEMBL3126837;GENER;EPAM;25;0;"ph = 7.4, <a href=https://www.ebi.ac.uk/chembl/assay_report_card/CHEMBL3128697/  target=_blank>CHEMBL3128697</a>";;;;;;;;;-5.4;;;;;;;;;;;;"Gentles RG, Ding M, Bender JA, Bergstrom CP, Grant-Young K, Hewawasam P, Hudyma T, Martin S, Nickel A, Regueiro-Ren A, Tu Y, Yang Z, Yeung KS, Zheng X, Chao S, Sun JH, Beno BR, Camac DM, Chang CH, Gao M, Morin PE, Sheriff S, Tredup J, Wan J, Witmer MR, Xie D, Hanumegowda U, Knipe J, Mosure K, Santone KS, Parker DD, Zhuo X, Lemm J, Liu M, Pelosi L, Rigat K, Voss S, Wang Y, Wang YK, Colonno RJ, Gao M, Roberts SB, Gao Q, Ng A, Meanwell NA, Kadow JF.: Discovery and preclinical characterization of the cyclopropylindolobenzazepine BMS-791325, a potent allosteric inhibitor of the hepatitis C virus NS5B polymerase. J Med Chem, Volume 57 (5), 2014";ChEMBL
MM471512;MM471512;CCN(CC)CCCC(C)Nc1ccnc2cc(C(F)(F)F)ccc12;;353.43;5.18;224869;;;CHEMBL144539;GENER;EPAM;25;0;"ph = 6.2, <a href=https://www.ebi.ac.uk/chembl/assay_report_card/CHEMBL1103810/  target=_blank>CHEMBL1103810</a>";;;;;;;;;-3.63;;;;;;;;;;;;"Ray S, Madrid PB, Catz P, LeValley SE, Furniss MJ, Rausch LL, Guy RK, DeRisi JL, Iyer LV, Green CE, Mirsalis JC.: Development of a new generation of 4-aminoquinoline antimalarial compounds using predictive pharmacokinetic and toxicology models. J Med Chem, Volume 53 (9), 2010";ChEMBL
MM472051;MM472051;COc1ccc2c(c1)C1CC1(C(=O)N1CC3CCC(C1)N3)Cn1c-2c(C2CCCCC2)c2ccc(C(=O)NS(=O)(=O)N(C)C)cc21;WVRQVQYNLHTOMY-UHFFFAOYSA-N;645.83;4.35;25019000;;;CHEMBL3126838;GENER;EPAM;25;0;"ph = 7.4, <a href=https://www.ebi.ac.uk/chembl/assay_report_card/CHEMBL3128697/  target=_blank>CHEMBL3128697</a>";;;;;;;;;-6.7;;;;;;;;;;;;"Gentles RG, Ding M, Bender JA, Bergstrom CP, Grant-Young K, Hewawasam P, Hudyma T, Martin S, Nickel A, Regueiro-Ren A, Tu Y, Yang Z, Yeung KS, Zheng X, Chao S, Sun JH, Beno BR, Camac DM, Chang CH, Gao M, Morin PE, Sheriff S, Tredup J, Wan J, Witmer MR, Xie D, Hanumegowda U, Knipe J, Mosure K, Santone KS, Parker DD, Zhuo X, Lemm J, Liu M, Pelosi L, Rigat K, Voss S, Wang Y, Wang YK, Colonno RJ, Gao M, Roberts SB, Gao Q, Ng A, Meanwell NA, Kadow JF.: Discovery and preclinical characterization of the cyclopropylindolobenzazepine BMS-791325, a potent allosteric inhibitor of the hepatitis C virus NS5B polymerase. J Med Chem, Volume 57 (5), 2014";ChEMBL
MM472050;MM472050;COc1ccc2c(c1)C1CC1(C(=O)N1C3CCC1CN(C)C3)Cn1c-2c(C2CCCCC2)c2ccc(C(=O)NS(=O)(=O)N(C)C)cc21;;659.85;4.69;25016295;;;CHEMBL3126839;GENER;EPAM;25;0;"ph = 7.4, <a href=https://www.ebi.ac.uk/chembl/assay_report_card/CHEMBL3762773/  target=_blank>CHEMBL3762773</a>";;;;;;;;;-4.15;;;;;;;;;;;;"Hewawasam P, Tu Y, Gao M, Hanumegowda U, Knipe J, Lemm JA, Parker DD, Rigat KL, Roberts SB, Meanwell NA, Kadow JF.: Discovery and preclinical evaluation of potent, orally bioavailable, metabolically stable cyclopropylindolobenzazepine acylsulfonamides as thumb site 1 inhibitors of the hepatitis c virus NS5B RNA-dependent, RNA polymerase. Bioorg Med Chem Lett, Volume 26 (3), 2016";ChEMBL
MM471512;MM471512;CCN(CC)CCCC(C)Nc1ccnc2cc(C(F)(F)F)ccc12;;353.43;5.18;224869;;;CHEMBL144539;GENER;EPAM;25;0;"ph = 7.4, <a href=https://www.ebi.ac.uk/chembl/assay_report_card/CHEMBL1103809/  target=_blank>CHEMBL1103809</a>";;;;;;;;;-2.57;;;;;;;;;;;;"Ray S, Madrid PB, Catz P, LeValley SE, Furniss MJ, Rausch LL, Guy RK, DeRisi JL, Iyer LV, Green CE, Mirsalis JC.: Development of a new generation of 4-aminoquinoline antimalarial compounds using predictive pharmacokinetic and toxicology models. J Med Chem, Volume 53 (9), 2010";ChEMBL
MM472050;MM472050;COc1ccc2c(c1)C1CC1(C(=O)N1C3CCC1CN(C)C3)Cn1c-2c(C2CCCCC2)c2ccc(C(=O)NS(=O)(=O)N(C)C)cc21;;659.85;4.69;25016295;;;CHEMBL3126839;GENER;EPAM;25;0;"ph = 7.4, <a href=https://www.ebi.ac.uk/chembl/assay_report_card/CHEMBL3128697/  target=_blank>CHEMBL3128697</a>";;;;;;;;;-4.11;;;;;;;;;;;;"Gentles RG, Ding M, Bender JA, Bergstrom CP, Grant-Young K, Hewawasam P, Hudyma T, Martin S, Nickel A, Regueiro-Ren A, Tu Y, Yang Z, Yeung KS, Zheng X, Chao S, Sun JH, Beno BR, Camac DM, Chang CH, Gao M, Morin PE, Sheriff S, Tredup J, Wan J, Witmer MR, Xie D, Hanumegowda U, Knipe J, Mosure K, Santone KS, Parker DD, Zhuo X, Lemm J, Liu M, Pelosi L, Rigat K, Voss S, Wang Y, Wang YK, Colonno RJ, Gao M, Roberts SB, Gao Q, Ng A, Meanwell NA, Kadow JF.: Discovery and preclinical characterization of the cyclopropylindolobenzazepine BMS-791325, a potent allosteric inhibitor of the hepatitis C virus NS5B polymerase. J Med Chem, Volume 57 (5), 2014";ChEMBL
MM472049;MM472049;COc1ccc2c(c1)C1CC1(C(=O)N1CC3CCC(C1)N3C)Cn1c-2c(C2CCCCC2)c2ccc(C(=O)NS(=O)(=O)N(C)C)cc21;NGOKHMMSOIFOKA-UHFFFAOYSA-N;659.85;4.69;25019002;;;CHEMBL3126840;GENER;EPAM;25;0;"ph = 7.4, <a href=https://www.ebi.ac.uk/chembl/assay_report_card/CHEMBL3128697/  target=_blank>CHEMBL3128697</a>";;;;;;;;;-4.68;;;;;;;;;;;;"Gentles RG, Ding M, Bender JA, Bergstrom CP, Grant-Young K, Hewawasam P, Hudyma T, Martin S, Nickel A, Regueiro-Ren A, Tu Y, Yang Z, Yeung KS, Zheng X, Chao S, Sun JH, Beno BR, Camac DM, Chang CH, Gao M, Morin PE, Sheriff S, Tredup J, Wan J, Witmer MR, Xie D, Hanumegowda U, Knipe J, Mosure K, Santone KS, Parker DD, Zhuo X, Lemm J, Liu M, Pelosi L, Rigat K, Voss S, Wang Y, Wang YK, Colonno RJ, Gao M, Roberts SB, Gao Q, Ng A, Meanwell NA, Kadow JF.: Discovery and preclinical characterization of the cyclopropylindolobenzazepine BMS-791325, a potent allosteric inhibitor of the hepatitis C virus NS5B polymerase. J Med Chem, Volume 57 (5), 2014";ChEMBL
Progesterone;MM00198;CC(=O)C1CCC2C3CCC4=CC(=O)CCC4(C)C3CCC12C;RJKFOVLPORLFTN-UHFFFAOYSA-N;314.47;4.72;5994;DB00396;STR;CHEMBL103;BBB;EPAM;25;0;"<a href=https://www.ebi.ac.uk/chembl/assay_report_card/CHEMBL4147571/  target=_blank>CHEMBL4147571</a>";;;;;;;;;-4.79;;;;;;;;;;;;"Jiang N, Huang Q, Liu J, Liang N, Li Q, Li Q, Xie SS.: Design, synthesis and biological evaluation of new coumarin-dithiocarbamate hybrids as multifunctional agents for the treatment of Alzheimer's disease. Eur J Med Chem, Volume 146, 2018";ChEMBL
MM472048;MM472048;CCN1CC2CCC(C1)N2C(=O)C12CC1c1cc(OC)ccc1-c1c(C3CCCCC3)c3ccc(C(=O)NS(=O)(=O)N(C)C)cc3n1C2;MTTZZZXOFXUQFU-UHFFFAOYSA-N;673.88;5.08;25018324;;;CHEMBL3126841;GENER;EPAM;25;0;"ph = 7.4, <a href=https://www.ebi.ac.uk/chembl/assay_report_card/CHEMBL3128697/  target=_blank>CHEMBL3128697</a>";;;;;;;;;-4.39;;;;;;;;;;;;"Gentles RG, Ding M, Bender JA, Bergstrom CP, Grant-Young K, Hewawasam P, Hudyma T, Martin S, Nickel A, Regueiro-Ren A, Tu Y, Yang Z, Yeung KS, Zheng X, Chao S, Sun JH, Beno BR, Camac DM, Chang CH, Gao M, Morin PE, Sheriff S, Tredup J, Wan J, Witmer MR, Xie D, Hanumegowda U, Knipe J, Mosure K, Santone KS, Parker DD, Zhuo X, Lemm J, Liu M, Pelosi L, Rigat K, Voss S, Wang Y, Wang YK, Colonno RJ, Gao M, Roberts SB, Gao Q, Ng A, Meanwell NA, Kadow JF.: Discovery and preclinical characterization of the cyclopropylindolobenzazepine BMS-791325, a potent allosteric inhibitor of the hepatitis C virus NS5B polymerase. J Med Chem, Volume 57 (5), 2014";ChEMBL
Progesterone;MM00198;CC(=O)C1CCC2C3CCC4=CC(=O)CCC4(C)C3CCC12C;RJKFOVLPORLFTN-UHFFFAOYSA-N;314.47;4.72;5994;DB00396;STR;CHEMBL103;BBB;EPAM;25;0;"<a href=https://www.ebi.ac.uk/chembl/assay_report_card/CHEMBL4147572/  target=_blank>CHEMBL4147572</a>";;;;;;;;;-5.03;;;;;;;;;;;;"Jiang N, Huang Q, Liu J, Liang N, Li Q, Li Q, Xie SS.: Design, synthesis and biological evaluation of new coumarin-dithiocarbamate hybrids as multifunctional agents for the treatment of Alzheimer's disease. Eur J Med Chem, Volume 146, 2018";ChEMBL
MM472047;MM472047;COc1ccc2c(c1)[C@@H]1C[C@]1(C(=O)N1C3CCC1CN(C)C3)Cn1c-2c(C2CCCCC2)c2ccc(C(=O)NS(=O)(=O)N(C)C)cc21;ZTTKEBYSXUCBSE-VSBZUFFNSA-N;659.85;4.69;;;;;GENER;EPAM;25;0;"ph = 7.4, <a href=https://www.ebi.ac.uk/chembl/assay_report_card/CHEMBL3128697/  target=_blank>CHEMBL3128697</a>";;;;;;;;;-4.19;;;;;;;;;;;;"Gentles RG, Ding M, Bender JA, Bergstrom CP, Grant-Young K, Hewawasam P, Hudyma T, Martin S, Nickel A, Regueiro-Ren A, Tu Y, Yang Z, Yeung KS, Zheng X, Chao S, Sun JH, Beno BR, Camac DM, Chang CH, Gao M, Morin PE, Sheriff S, Tredup J, Wan J, Witmer MR, Xie D, Hanumegowda U, Knipe J, Mosure K, Santone KS, Parker DD, Zhuo X, Lemm J, Liu M, Pelosi L, Rigat K, Voss S, Wang Y, Wang YK, Colonno RJ, Gao M, Roberts SB, Gao Q, Ng A, Meanwell NA, Kadow JF.: Discovery and preclinical characterization of the cyclopropylindolobenzazepine BMS-791325, a potent allosteric inhibitor of the hepatitis C virus NS5B polymerase. J Med Chem, Volume 57 (5), 2014";ChEMBL
Progesterone;MM00198;CC(=O)C1CCC2C3CCC4=CC(=O)CCC4(C)C3CCC12C;RJKFOVLPORLFTN-UHFFFAOYSA-N;314.47;4.72;5994;DB00396;STR;CHEMBL103;BBB;EPAM;25;0;"<a href=https://www.ebi.ac.uk/chembl/assay_report_card/CHEMBL4198703/  target=_blank>CHEMBL4198703</a>";;;;;;;;;-5.07;;;;;;;;;;;;"Hepnarova V, Korabecny J, Matouskova L, Jost P, Muckova L, Hrabinova M, Vykoukalova N, Kerhartova M, Kucera T, Dolezal R, Nepovimova E, Spilovska K, Mezeiova E, Pham NL, Jun D, Staud F, Kaping D, Kuca K, Soukup O.: The concept of hybrid molecules of tacrine and benzyl quinolone carboxylic acid (BQCA) as multifunctional agents for Alzheimer's disease. Eur J Med Chem, Volume 150, 2018";ChEMBL
MM472064;MM472064;COc1ccc2c(c1)C1CC1(C(=O)N1CC(O)(C(C)C)C1)Cn1c-2c(C2CCCCC2)c2ccc(C(=O)NS(=O)(=O)N(C)C)cc21;BEKAPBGCIVTEMM-UHFFFAOYSA-N;648.83;4.62;23652857;;;CHEMBL3126855;GENER;EPAM;25;0;"ph = 7.4, <a href=https://www.ebi.ac.uk/chembl/assay_report_card/CHEMBL3128697/  target=_blank>CHEMBL3128697</a>";;;;;;;;;-4.13;;;;;;;;;;;;"Gentles RG, Ding M, Bender JA, Bergstrom CP, Grant-Young K, Hewawasam P, Hudyma T, Martin S, Nickel A, Regueiro-Ren A, Tu Y, Yang Z, Yeung KS, Zheng X, Chao S, Sun JH, Beno BR, Camac DM, Chang CH, Gao M, Morin PE, Sheriff S, Tredup J, Wan J, Witmer MR, Xie D, Hanumegowda U, Knipe J, Mosure K, Santone KS, Parker DD, Zhuo X, Lemm J, Liu M, Pelosi L, Rigat K, Voss S, Wang Y, Wang YK, Colonno RJ, Gao M, Roberts SB, Gao Q, Ng A, Meanwell NA, Kadow JF.: Discovery and preclinical characterization of the cyclopropylindolobenzazepine BMS-791325, a potent allosteric inhibitor of the hepatitis C virus NS5B polymerase. J Med Chem, Volume 57 (5), 2014";ChEMBL
MM472063;MM472063;COc1ccc2c(c1)C1CC1(C(=O)N1CC(O)(C3CC3)C1)Cn1c-2c(C2CCCCC2)c2ccc(C(=O)NS(=O)(=O)N(C)C)cc21;KBOWNPDZDFUNKA-UHFFFAOYSA-N;646.81;4.37;23652855;;;CHEMBL3126856;GENER;EPAM;25;0;"ph = 7.4, <a href=https://www.ebi.ac.uk/chembl/assay_report_card/CHEMBL3128697/  target=_blank>CHEMBL3128697</a>";;;;;;;;;-4.72;;;;;;;;;;;;"Gentles RG, Ding M, Bender JA, Bergstrom CP, Grant-Young K, Hewawasam P, Hudyma T, Martin S, Nickel A, Regueiro-Ren A, Tu Y, Yang Z, Yeung KS, Zheng X, Chao S, Sun JH, Beno BR, Camac DM, Chang CH, Gao M, Morin PE, Sheriff S, Tredup J, Wan J, Witmer MR, Xie D, Hanumegowda U, Knipe J, Mosure K, Santone KS, Parker DD, Zhuo X, Lemm J, Liu M, Pelosi L, Rigat K, Voss S, Wang Y, Wang YK, Colonno RJ, Gao M, Roberts SB, Gao Q, Ng A, Meanwell NA, Kadow JF.: Discovery and preclinical characterization of the cyclopropylindolobenzazepine BMS-791325, a potent allosteric inhibitor of the hepatitis C virus NS5B polymerase. J Med Chem, Volume 57 (5), 2014";ChEMBL
Progesterone;MM00198;CC(=O)C1CCC2C3CCC4=CC(=O)CCC4(C)C3CCC12C;RJKFOVLPORLFTN-UHFFFAOYSA-N;314.47;4.72;5994;DB00396;STR;CHEMBL103;BBB;EPAM;25;0;"<a href=https://www.ebi.ac.uk/chembl/assay_report_card/CHEMBL4198704/  target=_blank>CHEMBL4198704</a>";;;;;;;;;-4.97;;;;;;;;;;;;"Hepnarova V, Korabecny J, Matouskova L, Jost P, Muckova L, Hrabinova M, Vykoukalova N, Kerhartova M, Kucera T, Dolezal R, Nepovimova E, Spilovska K, Mezeiova E, Pham NL, Jun D, Staud F, Kaping D, Kuca K, Soukup O.: The concept of hybrid molecules of tacrine and benzyl quinolone carboxylic acid (BQCA) as multifunctional agents for Alzheimer's disease. Eur J Med Chem, Volume 150, 2018";ChEMBL
MM472062;MM472062;COc1ccc2c(c1)C1CC1(C(=O)N1CC(O)(c3ccccc3)C1)Cn1c-2c(C2CCCCC2)c2ccc(C(=O)NS(=O)(=O)N(C)C)cc21;KOESFBTYPLWGFO-UHFFFAOYSA-N;682.84;5.12;23652916;;;CHEMBL3126857;GENER;EPAM;25;0;"ph = 7.4, <a href=https://www.ebi.ac.uk/chembl/assay_report_card/CHEMBL3128697/  target=_blank>CHEMBL3128697</a>";;;;;;;;;-4.41;;;;;;;;;;;;"Gentles RG, Ding M, Bender JA, Bergstrom CP, Grant-Young K, Hewawasam P, Hudyma T, Martin S, Nickel A, Regueiro-Ren A, Tu Y, Yang Z, Yeung KS, Zheng X, Chao S, Sun JH, Beno BR, Camac DM, Chang CH, Gao M, Morin PE, Sheriff S, Tredup J, Wan J, Witmer MR, Xie D, Hanumegowda U, Knipe J, Mosure K, Santone KS, Parker DD, Zhuo X, Lemm J, Liu M, Pelosi L, Rigat K, Voss S, Wang Y, Wang YK, Colonno RJ, Gao M, Roberts SB, Gao Q, Ng A, Meanwell NA, Kadow JF.: Discovery and preclinical characterization of the cyclopropylindolobenzazepine BMS-791325, a potent allosteric inhibitor of the hepatitis C virus NS5B polymerase. J Med Chem, Volume 57 (5), 2014";ChEMBL
MM472061;MM472061;COc1ccc2c(c1)C1CC1(C(=O)N1CC(C)NC(C)C1)Cn1c-2c(C2CCCCC2)c2ccc(C(=O)NS(=O)(=O)N(C)C)cc21;WNCJWMBZJAIJFT-IKUAJPQESA-N;647.84;4.6;16117661;;;CHEMBL3126859;GENER;EPAM;25;0;"ph = 7.4, <a href=https://www.ebi.ac.uk/chembl/assay_report_card/CHEMBL3128697/  target=_blank>CHEMBL3128697</a>";;;;;;;;;-4.85;;;;;;;;;;;;"Gentles RG, Ding M, Bender JA, Bergstrom CP, Grant-Young K, Hewawasam P, Hudyma T, Martin S, Nickel A, Regueiro-Ren A, Tu Y, Yang Z, Yeung KS, Zheng X, Chao S, Sun JH, Beno BR, Camac DM, Chang CH, Gao M, Morin PE, Sheriff S, Tredup J, Wan J, Witmer MR, Xie D, Hanumegowda U, Knipe J, Mosure K, Santone KS, Parker DD, Zhuo X, Lemm J, Liu M, Pelosi L, Rigat K, Voss S, Wang Y, Wang YK, Colonno RJ, Gao M, Roberts SB, Gao Q, Ng A, Meanwell NA, Kadow JF.: Discovery and preclinical characterization of the cyclopropylindolobenzazepine BMS-791325, a potent allosteric inhibitor of the hepatitis C virus NS5B polymerase. J Med Chem, Volume 57 (5), 2014";ChEMBL
Progesterone;MM00198;CC(=O)C1CCC2C3CCC4=CC(=O)CCC4(C)C3CCC12C;RJKFOVLPORLFTN-UHFFFAOYSA-N;314.47;4.72;5994;DB00396;STR;CHEMBL103;BBB;EPAM;25;0;"<a href=https://www.ebi.ac.uk/chembl/assay_report_card/CHEMBL4330470/  target=_blank>CHEMBL4330470</a>";;;;;;;;;-5.03;;;;;;;;;;;;"Srivastava P, Tripathi PN, Sharma P, Rai SN, Singh SP, Srivastava RK, Shankar S, Shrivastava SK.: Design and development of some phenyl benzoxazole derivatives as a potent acetylcholinesterase inhibitor with antioxidant property to enhance learning and memory. Eur J Med Chem, Volume 163, 2019";ChEMBL
MM472060;MM472060;COc1ccc2c(c1)C1CC1(C(=O)N1CC(C)N(C)C(C)C1)Cn1c-2c(C2CCCCC2)c2ccc(C(=O)NS(=O)(=O)N(C)C)cc21;BDIRYRDVYCQVOY-AVKWDMCDSA-N;661.87;4.94;23650702;;;CHEMBL3126860;GENER;EPAM;25;0;"ph = 7.4, <a href=https://www.ebi.ac.uk/chembl/assay_report_card/CHEMBL3128697/  target=_blank>CHEMBL3128697</a>";;;;;;;;;-4.32;;;;;;;;;;;;"Gentles RG, Ding M, Bender JA, Bergstrom CP, Grant-Young K, Hewawasam P, Hudyma T, Martin S, Nickel A, Regueiro-Ren A, Tu Y, Yang Z, Yeung KS, Zheng X, Chao S, Sun JH, Beno BR, Camac DM, Chang CH, Gao M, Morin PE, Sheriff S, Tredup J, Wan J, Witmer MR, Xie D, Hanumegowda U, Knipe J, Mosure K, Santone KS, Parker DD, Zhuo X, Lemm J, Liu M, Pelosi L, Rigat K, Voss S, Wang Y, Wang YK, Colonno RJ, Gao M, Roberts SB, Gao Q, Ng A, Meanwell NA, Kadow JF.: Discovery and preclinical characterization of the cyclopropylindolobenzazepine BMS-791325, a potent allosteric inhibitor of the hepatitis C virus NS5B polymerase. J Med Chem, Volume 57 (5), 2014";ChEMBL
MM472059;MM472059;COc1ccc2c(c1)C1CC1(C(=O)N1CC(C)N(C(C)=O)C(C)C1)Cn1c-2c(C2CCCCC2)c2ccc(C(=O)NS(=O)(=O)N(C)C)cc21;HTOYEVBOEUHJBV-GZERJIQXSA-N;689.88;4.86;17757343;;;CHEMBL3126861;GENER;EPAM;25;0;"ph = 7.4, <a href=https://www.ebi.ac.uk/chembl/assay_report_card/CHEMBL3128697/  target=_blank>CHEMBL3128697</a>";;;;;;;;;-4.32;;;;;;;;;;;;"Gentles RG, Ding M, Bender JA, Bergstrom CP, Grant-Young K, Hewawasam P, Hudyma T, Martin S, Nickel A, Regueiro-Ren A, Tu Y, Yang Z, Yeung KS, Zheng X, Chao S, Sun JH, Beno BR, Camac DM, Chang CH, Gao M, Morin PE, Sheriff S, Tredup J, Wan J, Witmer MR, Xie D, Hanumegowda U, Knipe J, Mosure K, Santone KS, Parker DD, Zhuo X, Lemm J, Liu M, Pelosi L, Rigat K, Voss S, Wang Y, Wang YK, Colonno RJ, Gao M, Roberts SB, Gao Q, Ng A, Meanwell NA, Kadow JF.: Discovery and preclinical characterization of the cyclopropylindolobenzazepine BMS-791325, a potent allosteric inhibitor of the hepatitis C virus NS5B polymerase. J Med Chem, Volume 57 (5), 2014";ChEMBL
MM472065;MM472065;CN(C)C(C(=O)N1CCCC1c1ncc(-c2ccc(-c3ccc(-c4cnc(C5CCCN5C(=O)C(c5ccccc5)N(C)C)[nH]4)cc3)cc2)[nH]1)c1ccccc1;IUKDDNWJLHYBGC-ATUXXYJQSA-N;746.96;8.07;24737672;;;CHEMBL3128076;GENER;EPAM;25;0;"ph = 7.4, <a href=https://www.ebi.ac.uk/chembl/assay_report_card/CHEMBL3128780/  target=_blank>CHEMBL3128780</a>";;;;;;;;;-6.15;;;;;;;;;;;;"Belema M, Nguyen VN, Romine JL, St Laurent DR, Lopez OD, Goodrich JT, Nower PT, O'Boyle DR, Lemm JA, Fridell RA, Gao M, Fang H, Krause RG, Wang YK, Oliver AJ, Good AC, Knipe JO, Meanwell NA, Snyder LB.: Hepatitis C virus NS5A replication complex inhibitors. Part 6: Discovery of a novel and highly potent biarylimidazole chemotype with inhibitory activity toward genotypes 1a and 1b replicons. J Med Chem, Volume 57 (5), 2014";ChEMBL
Progesterone;MM00198;CC(=O)C1CCC2C3CCC4=CC(=O)CCC4(C)C3CCC12C;RJKFOVLPORLFTN-UHFFFAOYSA-N;314.47;4.72;5994;DB00396;STR;CHEMBL103;BBB;EPAM;25;0;"<a href=https://www.ebi.ac.uk/chembl/assay_report_card/CHEMBL1105051/  target=_blank>CHEMBL1105051</a>";;;;;;;;;-4.75;;;;;;;;;;;;"Arce MP, Rodríguez-Franco MI, González-Muñoz GC, Pérez C, López B, Villarroya M, López MG, García AG, Conde S.: Neuroprotective and cholinergic properties of multifunctional glutamic acid derivatives for the treatment of Alzheimer's disease. J Med Chem, Volume 52 (22), 2009";ChEMBL
MM474384;MM474384;CCC1(c2cccc(O)c2)CCCCN(C)C1;JLICHNCFTLFZJN-UHFFFAOYSA-N;233.36;3.16;41049;;;CHEMBL314437;GENER;EPAM;25;0;"<a href=https://www.ebi.ac.uk/chembl/assay_report_card/CHEMBL4323355/  target=_blank>CHEMBL4323355</a>";;;;;;;;;-4.84;;;;;;;;;;;;"Meyer MJ, Neumann VE, Friesacher HR, Zdrazil B, Brockmöller J, Tzvetkov MV.: Opioids as Substrates and Inhibitors of the Genetically Highly Variable Organic Cation Transporter OCT1. J Med Chem, Volume 62 (21), 2019";ChEMBL
MM471407;MM471407;O=C1NC(=O)C(Cc2ccccc2)S1;;207.25;1.58;3157013;;;CHEMBL315822;GENER;EPAM;25;0;"ph = 7.4, <a href=https://www.ebi.ac.uk/chembl/assay_report_card/CHEMBL3801192/  target=_blank>CHEMBL3801192</a>";;;;;;;;;-5.06;;;;;;;;;;;;"Lassalas P, Gay B, Lasfargeas C, James MJ, Tran V, Vijayendran KG, Brunden KR, Kozlowski MC, Thomas CJ, Smith AB, Huryn DM, Ballatore C.: Structure Property Relationships of Carboxylic Acid Isosteres. J Med Chem, Volume 59 (7), 2016";ChEMBL
MM471407;MM471407;O=C1NC(=O)C(Cc2ccccc2)S1;;207.25;1.58;3157013;;;CHEMBL315822;GENER;EPAM;25;0;"ph = 7.4, <a href=https://www.ebi.ac.uk/chembl/assay_report_card/CHEMBL3801194/  target=_blank>CHEMBL3801194</a>";;;;;;;;;-5.06;;;;;;;;;;;;"Lassalas P, Gay B, Lasfargeas C, James MJ, Tran V, Vijayendran KG, Brunden KR, Kozlowski MC, Thomas CJ, Smith AB, Huryn DM, Ballatore C.: Structure Property Relationships of Carboxylic Acid Isosteres. J Med Chem, Volume 59 (7), 2016";ChEMBL
MM472261;MM472261;CC(C)N(C)C1CCC(N2CCC(NC(=O)c3cccc(C(F)(F)F)c3)C2=O)C(CS(C)(=O)=O)C1;KZYUPKXEHNEFIY-NRDMVMEKSA-N;517.61;2.96;42606792;;;CHEMBL3233178;GENER;EPAM;25;0;"ph = 7.4, <a href=https://www.ebi.ac.uk/chembl/assay_report_card/CHEMBL4339727/  target=_blank>CHEMBL4339727</a>";;;;;;;;;-5.03;;;;;;;;;;;;"Yang MG, Xiao Z, Cherney RJ, Tebben AJ, Batt DG, Brown GD, Chen J, Cvijic ME, Dabros M, Duncia JV, Galella M, Gardner DS, Khandelwal P, Ko SS, Malley MF, Mo R, Pang J, Rose AV, Santella JB, Shi H, Srivastava A, Traeger SC, Wang B, Xu S, Zhao R, Barrish JC, Mandlekar S, Zhao Q, Carter PH.: Use of a Conformational-Switching Mechanism to Modulate Exposed Polarity: Discovery of CCR2 Antagonist BMS-741672. ACS Med Chem Lett, Volume 10 (3), 2019";ChEMBL
Warfarin;MM00095;CC(=O)CC(c1ccccc1)c1c(O)c2ccccc2oc1=O;PJVWKTKQMONHTI-UHFFFAOYSA-N;308.33;3.61;54678486;DB00682;;CHEMBL1464;GENER;EPAM;25;0;"ph = 6.5, <a href=https://www.ebi.ac.uk/chembl/assay_report_card/CHEMBL3996779/  target=_blank>CHEMBL3996779</a>";;;;;;;;;-3.8;;;;;;;;;;;;"Singh K, Okombo J, Brunschwig C, Ndubi F, Barnard L, Wilkinson C, Njogu PM, Njoroge M, Laing L, Machado M, Prudêncio M, Reader J, Botha M, Nondaba S, Birkholtz LM, Lauterbach S, Churchyard A, Coetzer TL, Burrows JN, Yeates C, Denti P, Wiesner L, Egan TJ, Wittlin S, Chibale K.: Antimalarial Pyrido[1,2-a]benzimidazoles: Lead Optimization, Parasite Life Cycle Stage Profile, Mechanistic Evaluation, Killing Kinetics, and in Vivo Oral Efficacy in a Mouse Model. J Med Chem, Volume 60 (4), 2017";ChEMBL
MM472066;MM472066;CNC(=O)N1CC23COCC2(C1)CN(C(=O)C12CC1c1cc(OC)ccc1-c1c(C4CCCCC4)c4ccc(C(=O)NS(=O)(=O)C(C)C)cc4n1C2)C3;YEJJWLBSPTUOIO-MIWMFXFDSA-N;743.93;4.82;46896820;;;CHEMBL3233303;GENER;EPAM;25;0;"ph = 7.4, <a href=https://www.ebi.ac.uk/chembl/assay_report_card/CHEMBL3240496/  target=_blank>CHEMBL3240496</a>";;;;;;;;;-5.74;;;;;;;;;;;;"Eastman KJ, Yang Z, Bender JA, Mosure K, Lemm JA, Meanwell NA, Roberts SB, Knipe J, Kadow JF.: Identification of a novel series of potent HCV NS5B Site I inhibitors. Bioorg Med Chem Lett, Volume 24 (8), 2014";ChEMBL
Progesterone;MM00198;CC(=O)C1CCC2C3CCC4=CC(=O)CCC4(C)C3CCC12C;RJKFOVLPORLFTN-UHFFFAOYSA-N;314.47;4.72;5994;DB00396;STR;CHEMBL103;BBB;EPAM;25;0;"<a href=https://www.ebi.ac.uk/chembl/assay_report_card/CHEMBL4259691/  target=_blank>CHEMBL4259691</a>";;;;;;;;;-5.03;;;;;;;;;;;;"Nath C, Badavath VN, Thakur A, Ucar G, Acevedo O, Mohd Siddique MU, Jayaprakash V.: Curcumin-based pyrazoline analogues as selective inhibitors of human monoamine oxidase A. Medchemcomm, Volume 9 (7), 2018";ChEMBL
Warfarin;MM00095;CC(=O)CC(c1ccccc1)c1c(O)c2ccccc2oc1=O;PJVWKTKQMONHTI-UHFFFAOYSA-N;308.33;3.61;54678486;DB00682;;CHEMBL1464;GENER;EPAM;25;0;"ph = 4, <a href=https://www.ebi.ac.uk/chembl/assay_report_card/CHEMBL4027134/  target=_blank>CHEMBL4027134</a>";;;;;;;;;-3.7;;;;;;;;;;;;"Joshi MC, Okombo J, Nsumiwa S, Ndove J, Taylor D, Wiesner L, Hunter R, Chibale K, Egan TJ.: 4-Aminoquinoline Antimalarials Containing a Benzylmethylpyridylmethylamine Group Are Active against Drug Resistant Plasmodium falciparum and Exhibit Oral Activity in Mice. J Med Chem, Volume 60 (24), 2017";ChEMBL
MM472067;MM472067;CNC(=O)N1CC23COCC2(C1)CN(C(=O)C12CC1c1cc(OC)ccc1-c1c(C4CCCCC4)c4ccc(C(=O)NS(=O)(=O)N(C)C)cc4n1C2)C3;RTNZIQNUUDZXNK-LPPCMUASSA-N;744.92;3.89;46896821;;;CHEMBL3233304;GENER;EPAM;25;0;"ph = 7.4, <a href=https://www.ebi.ac.uk/chembl/assay_report_card/CHEMBL3240496/  target=_blank>CHEMBL3240496</a>";;;;;;;;;-5.43;;;;;;;;;;;;"Eastman KJ, Yang Z, Bender JA, Mosure K, Lemm JA, Meanwell NA, Roberts SB, Knipe J, Kadow JF.: Identification of a novel series of potent HCV NS5B Site I inhibitors. Bioorg Med Chem Lett, Volume 24 (8), 2014";ChEMBL
MM472068;MM472068;COc1ccc2c(c1)C1CC1(C(=O)N1CC34CCC3(CN(C(=O)N3CCOCC3)C4)C1)Cn1c-2c(C2CCCCC2)c2ccc(C(=O)NS(=O)(=O)N(C)C)cc21;;784.98;4.76;46897400;;;CHEMBL3233578;GENER;EPAM;25;0;"ph = 5.5, <a href=https://www.ebi.ac.uk/chembl/assay_report_card/CHEMBL3240497/  target=_blank>CHEMBL3240497</a>";;;;;;;;;-4.95;;;;;;;;;;;;"Eastman KJ, Yang Z, Bender JA, Mosure K, Lemm JA, Meanwell NA, Roberts SB, Knipe J, Kadow JF.: Identification of a novel series of potent HCV NS5B Site I inhibitors. Bioorg Med Chem Lett, Volume 24 (8), 2014";ChEMBL
Progesterone;MM00198;CC(=O)C1CCC2C3CCC4=CC(=O)CCC4(C)C3CCC12C;RJKFOVLPORLFTN-UHFFFAOYSA-N;314.47;4.72;5994;DB00396;STR;CHEMBL103;BBB;EPAM;25;0;"<a href=https://www.ebi.ac.uk/chembl/assay_report_card/CHEMBL4259692/  target=_blank>CHEMBL4259692</a>";;;;;;;;;-5.02;;;;;;;;;;;;"Nath C, Badavath VN, Thakur A, Ucar G, Acevedo O, Mohd Siddique MU, Jayaprakash V.: Curcumin-based pyrazoline analogues as selective inhibitors of human monoamine oxidase A. Medchemcomm, Volume 9 (7), 2018";ChEMBL
Warfarin;MM00095;CC(=O)CC(c1ccccc1)c1c(O)c2ccccc2oc1=O;PJVWKTKQMONHTI-UHFFFAOYSA-N;308.33;3.61;54678486;DB00682;;CHEMBL1464;GENER;EPAM;25;0;"ph = 6.5, <a href=https://www.ebi.ac.uk/chembl/assay_report_card/CHEMBL4027135/  target=_blank>CHEMBL4027135</a>";;;;;;;;;-3.8;;;;;;;;;;;;"Joshi MC, Okombo J, Nsumiwa S, Ndove J, Taylor D, Wiesner L, Hunter R, Chibale K, Egan TJ.: 4-Aminoquinoline Antimalarials Containing a Benzylmethylpyridylmethylamine Group Are Active against Drug Resistant Plasmodium falciparum and Exhibit Oral Activity in Mice. J Med Chem, Volume 60 (24), 2017";ChEMBL
MM472068;MM472068;COc1ccc2c(c1)C1CC1(C(=O)N1CC34CCC3(CN(C(=O)N3CCOCC3)C4)C1)Cn1c-2c(C2CCCCC2)c2ccc(C(=O)NS(=O)(=O)N(C)C)cc21;;784.98;4.76;46897400;;;CHEMBL3233578;GENER;EPAM;25;0;"ph = 7.4, <a href=https://www.ebi.ac.uk/chembl/assay_report_card/CHEMBL3240496/  target=_blank>CHEMBL3240496</a>";;;;;;;;;-4.59;;;;;;;;;;;;"Eastman KJ, Yang Z, Bender JA, Mosure K, Lemm JA, Meanwell NA, Roberts SB, Knipe J, Kadow JF.: Identification of a novel series of potent HCV NS5B Site I inhibitors. Bioorg Med Chem Lett, Volume 24 (8), 2014";ChEMBL
MM473040;MM473040;CCCCCCOC(=O)C(CCC(=O)NCCC1CCN(Cc2ccccc2)CC1)NC(=O)c1cc2ccccc2s1;SDWSXUZGRDKRFJ-LJAQVGFWSA-N;591.82;6.32;44550728;;;CHEMBL1076259;BBB;EPAM;25;0;"<a href=https://www.ebi.ac.uk/chembl/assay_report_card/CHEMBL1105051/  target=_blank>CHEMBL1105051</a>";;;;;;;;;-4.59;;;;;;;;;;;;"Arce MP, Rodríguez-Franco MI, González-Muñoz GC, Pérez C, López B, Villarroya M, López MG, García AG, Conde S.: Neuroprotective and cholinergic properties of multifunctional glutamic acid derivatives for the treatment of Alzheimer's disease. J Med Chem, Volume 52 (22), 2009";ChEMBL
MM474136;MM474136;CN(C)CCn1c(CC(C)(C)C)nc2cc(S(=O)(=O)C3CN(C(N)=O)C3)ccc21;XMJJERMECHLDOH-UHFFFAOYSA-N;421.57;1.72;58513615;;;CHEMBL3234675;GENER;EPAM;25;0;"<a href=https://www.ebi.ac.uk/chembl/assay_report_card/CHEMBL3373671/  target=_blank>CHEMBL3373671</a>";;;;;;;;;-6.22;;;;;;;;;;;;"Iwata Y, Ando K, Taniguchi K, Koba N, Sugiura A, Sudo M.: Identification of a highly potent and selective CB2 agonist, RQ-00202730, for the treatment of irritable bowel syndrome. Bioorg Med Chem Lett, Volume 25 (2), 2015";ChEMBL
MM473041;MM473041;CCCCCCOC(=O)C(CCC(=O)NCCC1CCN(Cc2ccccc2)CC1)NC(=O)c1cc2cccnc2s1;QRZGIZWNQIUSQZ-NDEPHWFRSA-N;592.81;5.72;44550729;;;CHEMBL1076260;BBB;EPAM;25;0;"<a href=https://www.ebi.ac.uk/chembl/assay_report_card/CHEMBL1105051/  target=_blank>CHEMBL1105051</a>";;;;;;;;;-4.73;;;;;;;;;;;;"Arce MP, Rodríguez-Franco MI, González-Muñoz GC, Pérez C, López B, Villarroya M, López MG, García AG, Conde S.: Neuroprotective and cholinergic properties of multifunctional glutamic acid derivatives for the treatment of Alzheimer's disease. J Med Chem, Volume 52 (22), 2009";ChEMBL
MM474076;MM474076;COCCOCn1ccc(NC(=O)c2cc(Oc3ccc(S(C)(=O)=O)cc3)cc(-c3ncccc3C)c2)n1;YREXUDMRKQYWKW-UHFFFAOYSA-N;536.61;4.32;77107273;;;CHEMBL3235164;GENER;EPAM;25;0;"<a href=https://www.ebi.ac.uk/chembl/assay_report_card/CHEMBL3243427/  target=_blank>CHEMBL3243427</a>";;;;;;;;;-5.58;;;;;;;;;;;;"Park K, Lee BM, Hyun KH, Lee DH, Choi HH, Kim H, Chong W, Kim KB, Nam SY.: Discovery of 3-(4-methanesulfonylphenoxy)-N-[1-(2-methoxy-ethoxymethyl)-1H-pyrazol-3-yl]-5-(3-methylpyridin-2-yl)-benzamide as a novel glucokinase activator (GKA) for the treatment of type 2 diabetes mellitus. Bioorg Med Chem, Volume 22 (7), 2014";ChEMBL
Chembl3259928;MM467837;COc1cc(C(F)(F)F)cc(SC)c1C(=O)N[C@@]1(c2ccccc2)CCCN(C)C1;SCEGQLOWLADTKA-NRFANRHFSA-N;438.52;4.79;;;;Chembl3259928;GENER;EPAM;25;0;"<a href=https://www.ebi.ac.uk/chembl/assay_report_card/CHEMBL3266590/  target=_blank>CHEMBL3266590</a>";;;;;;;;;-5.13;;;;;;;;;;;;"Pinard E, Alberati D, Alvarez-Sanchez R, Brom V, Burner S, Fischer H, Hauser N, Kolczewski S, Lengyel J, Mory R, Saladin C, Schulz-Gasch T, Stalder H.: 3-Amido-3-aryl-piperidines: A Novel Class of Potent, Selective, and Orally Active GlyT1 Inhibitors. ACS Med Chem Lett, Volume 5 (4), 2014";ChEMBL
MM471928;MM471928;CC(C)Nc1nc(NC2CCCCC2)c2ccccc2n1;;284.41;4.19;87056279;;;CHEMBL3262236;GENER;EPAM;25;0;"ph = 4, <a href=https://www.ebi.ac.uk/chembl/assay_report_card/CHEMBL3270246/  target=_blank>CHEMBL3270246</a>";;;;;;;;;-3.95;;;;;;;;;;;;"Van Horn KS, Burda WN, Fleeman R, Shaw LN, Manetsch R.: Antibacterial activity of a series of N2,N4-disubstituted quinazoline-2,4-diamines. J Med Chem, Volume 57 (7), 2014";ChEMBL
MM471928;MM471928;CC(C)Nc1nc(NC2CCCCC2)c2ccccc2n1;;284.41;4.19;87056279;;;CHEMBL3262236;GENER;EPAM;25;0;"ph = 7.4, <a href=https://www.ebi.ac.uk/chembl/assay_report_card/CHEMBL3270245/  target=_blank>CHEMBL3270245</a>";;;;;;;;;-3.11;;;;;;;;;;;;"Van Horn KS, Burda WN, Fleeman R, Shaw LN, Manetsch R.: Antibacterial activity of a series of N2,N4-disubstituted quinazoline-2,4-diamines. J Med Chem, Volume 57 (7), 2014";ChEMBL
Cerivastatin;MM00639;COCc1c(C(C)C)nc(C(C)C)c(C=CC(O)CC(O)CC(=O)O)c1-c1ccc(F)cc1;SEERZIQQUAZTOL-UHFFFAOYSA-N;459.56;4.88;446156;DB00439;116;CHEMBL1477;GENER;EPAM;25;0;"ph = 6.5, <a href=https://www.ebi.ac.uk/chembl/assay_report_card/CHEMBL1046150/  target=_blank>CHEMBL1046150</a>";;;;;;;;;-4.82;;;;;;;;;;;;"Tam KY, Avdeef A, Tsinman O, Sun N.: The permeation of amphoteric drugs through artificial membranes--an in combo absorption model based on paracellular and transmembrane permeability. J Med Chem, Volume 53 (1), 392-401, 2010";ChEMBL
MM473042;MM473042;CCCCCCOC(=O)C(CCC(=O)NCCC1CCN(Cc2ccccc2)CC1)NC(=O)c1cc2ccsc2s1;ONGQTEYIIKGJGV-MHZLTWQESA-N;597.85;6.38;44550849;;;CHEMBL1080274;BBB;EPAM;25;0;"<a href=https://www.ebi.ac.uk/chembl/assay_report_card/CHEMBL1105051/  target=_blank>CHEMBL1105051</a>";;;;;;;;;-4.55;;;;;;;;;;;;"Arce MP, Rodríguez-Franco MI, González-Muñoz GC, Pérez C, López B, Villarroya M, López MG, García AG, Conde S.: Neuroprotective and cholinergic properties of multifunctional glutamic acid derivatives for the treatment of Alzheimer's disease. J Med Chem, Volume 52 (22), 2009";ChEMBL
MM471007;MM471007;CCCCCCOC(=O)C(CCC(=O)NCCC1CCN(Cc2ccccc2)CC1)NC(=O)c1ccccc1;XFEJPTLRXOZZDA-LJAQVGFWSA-N;535.73;5.11;44550725;;;CHEMBL1080631;BBB;EPAM;25;0;"<a href=https://www.ebi.ac.uk/chembl/assay_report_card/CHEMBL1105051/  target=_blank>CHEMBL1105051</a>";;;;;;;;;-4.73;;;;;;;;;;;;"Arce MP, Rodríguez-Franco MI, González-Muñoz GC, Pérez C, López B, Villarroya M, López MG, García AG, Conde S.: Neuroprotective and cholinergic properties of multifunctional glutamic acid derivatives for the treatment of Alzheimer's disease. J Med Chem, Volume 52 (22), 2009";ChEMBL
MM473039;MM473039;CCCCCCOC(=O)C(CCC(=O)NCCC1CCN(Cc2ccccc2)CC1)NC(=O)c1cccs1;OCZMNYKUZZMGJF-SANMLTNESA-N;541.76;5.17;44550726;;;CHEMBL1080813;BBB;EPAM;25;0;"<a href=https://www.ebi.ac.uk/chembl/assay_report_card/CHEMBL1105051/  target=_blank>CHEMBL1105051</a>";;;;;;;;;-4.68;;;;;;;;;;;;"Arce MP, Rodríguez-Franco MI, González-Muñoz GC, Pérez C, López B, Villarroya M, López MG, García AG, Conde S.: Neuroprotective and cholinergic properties of multifunctional glutamic acid derivatives for the treatment of Alzheimer's disease. J Med Chem, Volume 52 (22), 2009";ChEMBL
MM473038;MM473038;CCCCCCOC(=O)C(CCC(=O)NCCC1CCN(Cc2ccccc2)CC1)NC(=O)OC(C)(C)C;MZBCWMLDVRAXQY-SANMLTNESA-N;531.74;5.2;44550606;;;CHEMBL1082081;BBB;EPAM;25;0;"<a href=https://www.ebi.ac.uk/chembl/assay_report_card/CHEMBL1105051/  target=_blank>CHEMBL1105051</a>";;;;;;;;;-4.94;;;;;;;;;;;;"Arce MP, Rodríguez-Franco MI, González-Muñoz GC, Pérez C, López B, Villarroya M, López MG, García AG, Conde S.: Neuroprotective and cholinergic properties of multifunctional glutamic acid derivatives for the treatment of Alzheimer's disease. J Med Chem, Volume 52 (22), 2009";ChEMBL
Imipramine;MM00504;CN(C)CCCN1c2ccccc2CCc2ccccc21;BCGWQEUPMDMJNV-UHFFFAOYSA-N;280.42;3.88;3696;DB00458;IXX;CHEMBL11;BBB;EPAM;25;0;"<a href=https://www.ebi.ac.uk/chembl/assay_report_card/CHEMBL3406060/  target=_blank>CHEMBL3406060</a>";;;;;;;;;-4.89;;;;;;;;;;;;"Sang Z, Li Y, Qiang X, Xiao G, Liu Q, Tan Z, Deng Y.: Multifunctional scutellarin-rivastigmine hybrids with cholinergic, antioxidant, biometal chelating and neuroprotective properties for the treatment of Alzheimer's disease. Bioorg Med Chem, Volume 23 (4), 2015";ChEMBL
Imipramine;MM00504;CN(C)CCCN1c2ccccc2CCc2ccccc21;BCGWQEUPMDMJNV-UHFFFAOYSA-N;280.42;3.88;3696;DB00458;IXX;CHEMBL11;BBB;EPAM;25;0;"<a href=https://www.ebi.ac.uk/chembl/assay_report_card/CHEMBL3406061/  target=_blank>CHEMBL3406061</a>";;;;;;;;;-5;;;;;;;;;;;;"Sang Z, Li Y, Qiang X, Xiao G, Liu Q, Tan Z, Deng Y.: Multifunctional scutellarin-rivastigmine hybrids with cholinergic, antioxidant, biometal chelating and neuroprotective properties for the treatment of Alzheimer's disease. Bioorg Med Chem, Volume 23 (4), 2015";ChEMBL
MM471929;MM471929;CCCCNc1nc(NCc2ccccc2)c2ccccc2n1;;306.41;4.45;52110748;;;CHEMBL3262253;GENER;EPAM;25;0;"ph = 4, <a href=https://www.ebi.ac.uk/chembl/assay_report_card/CHEMBL3270246/  target=_blank>CHEMBL3270246</a>";;;;;;;;;-3.79;;;;;;;;;;;;"Van Horn KS, Burda WN, Fleeman R, Shaw LN, Manetsch R.: Antibacterial activity of a series of N2,N4-disubstituted quinazoline-2,4-diamines. J Med Chem, Volume 57 (7), 2014";ChEMBL
MM471929;MM471929;CCCCNc1nc(NCc2ccccc2)c2ccccc2n1;;306.41;4.45;52110748;;;CHEMBL3262253;GENER;EPAM;25;0;"ph = 7.4, <a href=https://www.ebi.ac.uk/chembl/assay_report_card/CHEMBL3270245/  target=_blank>CHEMBL3270245</a>";;;;;;;;;-2.9;;;;;;;;;;;;"Van Horn KS, Burda WN, Fleeman R, Shaw LN, Manetsch R.: Antibacterial activity of a series of N2,N4-disubstituted quinazoline-2,4-diamines. J Med Chem, Volume 57 (7), 2014";ChEMBL
Imipramine;MM00504;CN(C)CCCN1c2ccccc2CCc2ccccc21;BCGWQEUPMDMJNV-UHFFFAOYSA-N;280.42;3.88;3696;DB00458;IXX;CHEMBL11;BBB;EPAM;25;0;"<a href=https://www.ebi.ac.uk/chembl/assay_report_card/CHEMBL3859151/  target=_blank>CHEMBL3859151</a>";;;;;;;;;-4.89;;;;;;;;;;;;"Sola I, Artigas A, Taylor MC, Pérez-Areales FJ, Viayna E, Clos MV, Pérez B, Wright CW, Kelly JM, Muñoz-Torrero D.: Synthesis and biological evaluation of N-cyanoalkyl-, N-aminoalkyl-, and N-guanidinoalkyl-substituted 4-aminoquinoline derivatives as potent, selective, brain permeable antitrypanosomal agents. Bioorg Med Chem, Volume 24 (21), 2016";ChEMBL
Imipramine;MM00504;CN(C)CCCN1c2ccccc2CCc2ccccc21;BCGWQEUPMDMJNV-UHFFFAOYSA-N;280.42;3.88;3696;DB00458;IXX;CHEMBL11;BBB;EPAM;25;0;"<a href=https://www.ebi.ac.uk/chembl/assay_report_card/CHEMBL3874684/  target=_blank>CHEMBL3874684</a>";;;;;;;;;-5;;;;;;;;;;;;"Li Y, Qiang X, Luo L, Yang X, Xiao G, Zheng Y, Cao Z, Sang Z, Su F, Deng Y.: Multitarget drug design strategy against Alzheimer's disease: Homoisoflavonoid Mannich base derivatives serve as acetylcholinesterase and monoamine oxidase B dual inhibitors with multifunctional properties. Bioorg Med Chem, Volume 25 (2), 2017";ChEMBL
MM472518;MM472518;CCNc1nc(Cl)nc(NC(C)C)n1;;215.69;1.78;;;;CHEMBL15063;GENER;EPAM;25;0;"<a href=https://www.ebi.ac.uk/chembl/assay_report_card/CHEMBL905612/  target=_blank>CHEMBL905612</a>";;;;;;;;;-4.53;;;;;;;;;;;;"Fujikawa M, Nakao K, Shimizu R, Akamatsu M.: QSAR study on permeability of hydrophobic compounds with artificial membranes. Bioorg Med Chem, Volume 15 (11), 3756-3767, 2007";ChEMBL
Imipramine;MM00504;CN(C)CCCN1c2ccccc2CCc2ccccc21;BCGWQEUPMDMJNV-UHFFFAOYSA-N;280.42;3.88;3696;DB00458;IXX;CHEMBL11;BBB;EPAM;25;0;"<a href=https://www.ebi.ac.uk/chembl/assay_report_card/CHEMBL3874685/  target=_blank>CHEMBL3874685</a>";;;;;;;;;-4.89;;;;;;;;;;;;"Li Y, Qiang X, Luo L, Yang X, Xiao G, Zheng Y, Cao Z, Sang Z, Su F, Deng Y.: Multitarget drug design strategy against Alzheimer's disease: Homoisoflavonoid Mannich base derivatives serve as acetylcholinesterase and monoamine oxidase B dual inhibitors with multifunctional properties. Bioorg Med Chem, Volume 25 (2), 2017";ChEMBL
MM472518;MM472518;CCNc1nc(Cl)nc(NC(C)C)n1;;215.69;1.78;;;;CHEMBL15063;GENER;EPAM;25;0;"<a href=https://www.ebi.ac.uk/chembl/assay_report_card/CHEMBL3066824/  target=_blank>CHEMBL3066824</a>";;;;;;;;;-4.53;;;;;;;;;;;;"Akamatsu M.: Importance of physicochemical properties for the design of new pesticides. J Agric Food Chem, Volume 59 (7), 2011";ChEMBL
Imipramine;MM00504;CN(C)CCCN1c2ccccc2CCc2ccccc21;BCGWQEUPMDMJNV-UHFFFAOYSA-N;280.42;3.88;3696;DB00458;IXX;CHEMBL11;BBB;EPAM;25;0;"<a href=https://www.ebi.ac.uk/chembl/assay_report_card/CHEMBL3876767/  target=_blank>CHEMBL3876767</a>";;;;;;;;;-4.95;;;;;;;;;;;;"Xiao G, Li Y, Qiang X, Xu R, Zheng Y, Cao Z, Luo L, Yang X, Sang Z, Su F, Deng Y.: Design, synthesis and biological evaluation of 4'-aminochalcone-rivastigmine hybrids as multifunctional agents for the treatment of Alzheimer's disease. Bioorg Med Chem, Volume 25 (3), 2017";ChEMBL
MM474462;MM474462;Cc1c(NC(=O)c2ccc(C(C)(C)C)cc2)cccc1-c1nc(Nc2ccc(C(=O)N3CCOCC3)cc2)c2[nH]cnc2n1;IGXJXMLDIIGDNE-UHFFFAOYSA-N;589.7;6.09;53356518;;;CHEMBL3263640;GENER;EPAM;25;0;"<a href=https://www.ebi.ac.uk/chembl/assay_report_card/CHEMBL3270546/  target=_blank>CHEMBL3270546</a>";;;;;;;;;-4.39;;;;;;;;;;;;"Shi Q, Tebben A, Dyckman AJ, Li H, Liu C, Lin J, Spergel S, Burke JR, McIntyre KW, Olini GC, Strnad J, Surti N, Muckelbauer JK, Chang C, An Y, Cheng L, Ruan Q, Leftheris K, Carter PH, Tino J, De Lucca GV.: Purine derivatives as potent Bruton's tyrosine kinase (BTK) inhibitors for autoimmune diseases. Bioorg Med Chem Lett, Volume 24 (9), 2014";ChEMBL
Imipramine;MM00504;CN(C)CCCN1c2ccccc2CCc2ccccc21;BCGWQEUPMDMJNV-UHFFFAOYSA-N;280.42;3.88;3696;DB00458;IXX;CHEMBL11;BBB;EPAM;25;0;"<a href=https://www.ebi.ac.uk/chembl/assay_report_card/CHEMBL3994367/  target=_blank>CHEMBL3994367</a>";;;;;;;;;-4.95;;;;;;;;;;;;"Luo L, Li Y, Qiang X, Cao Z, Xu R, Yang X, Xiao G, Song Q, Tan Z, Deng Y.: Multifunctional thioxanthone derivatives with acetylcholinesterase, monoamine oxidases and β-amyloid aggregation inhibitory activities as potential agents against Alzheimer's disease. Bioorg Med Chem, Volume 25 (6), 2017";ChEMBL
MM472415;MM472415;CNS(=O)(=O)Nc1cccc(Cc2c(C)c3ccc(OC(=O)N(C)C)nc3oc2=O)c1;FDHUCQKHMHMPAC-UHFFFAOYSA-N;446.49;2.02;59139139;;;CHEMBL3263994;GENER;EPAM;25;0;"ph = 6.5, <a href=https://www.ebi.ac.uk/chembl/assay_report_card/CHEMBL3267835/  target=_blank>CHEMBL3267835</a>";;;;;;;;;-5.52;;;;;;;;;;;;"Aoki T, Hyohdoh I, Furuichi N, Ozawa S, Watanabe F, Matsushita M, Sakaitani M, Morikami K, Takanashi K, Harada N, Tomii Y, Shiraki K, Furumoto K, Tabo M, Yoshinari K, Ori K, Aoki Y, Shimma N, Iikura H.: Optimizing the Physicochemical Properties of Raf/MEK Inhibitors by Nitrogen Scanning. ACS Med Chem Lett, Volume 5 (4), 2014";ChEMBL
Imipramine;MM00504;CN(C)CCCN1c2ccccc2CCc2ccccc21;BCGWQEUPMDMJNV-UHFFFAOYSA-N;280.42;3.88;3696;DB00458;IXX;CHEMBL11;BBB;EPAM;25;0;"ph = 7.4, <a href=https://www.ebi.ac.uk/chembl/assay_report_card/CHEMBL3994366/  target=_blank>CHEMBL3994366</a>";;;;;;;;;-4.89;;;;;;;;;;;;"Luo L, Li Y, Qiang X, Cao Z, Xu R, Yang X, Xiao G, Song Q, Tan Z, Deng Y.: Multifunctional thioxanthone derivatives with acetylcholinesterase, monoamine oxidases and β-amyloid aggregation inhibitory activities as potential agents against Alzheimer's disease. Bioorg Med Chem, Volume 25 (6), 2017";ChEMBL
MM472416;MM472416;CNS(=O)(=O)Nc1cccc(Cc2c(C)c3ccc(OC(=O)N(C)C)cc3oc2=O)n1;ZMROFNUQQNWVMM-UHFFFAOYSA-N;446.49;2.02;59139185;;;CHEMBL3263995;GENER;EPAM;25;0;"ph = 6.5, <a href=https://www.ebi.ac.uk/chembl/assay_report_card/CHEMBL3267835/  target=_blank>CHEMBL3267835</a>";;;;;;;;;-5.22;;;;;;;;;;;;"Aoki T, Hyohdoh I, Furuichi N, Ozawa S, Watanabe F, Matsushita M, Sakaitani M, Morikami K, Takanashi K, Harada N, Tomii Y, Shiraki K, Furumoto K, Tabo M, Yoshinari K, Ori K, Aoki Y, Shimma N, Iikura H.: Optimizing the Physicochemical Properties of Raf/MEK Inhibitors by Nitrogen Scanning. ACS Med Chem Lett, Volume 5 (4), 2014";ChEMBL
MM472417;MM472417;CNS(=O)(=O)Nc1cc(Cc2c(C)c3ccc(OC(=O)N(C)C)cc3oc2=O)ccn1;GLVLHQQZXXQWEI-UHFFFAOYSA-N;446.49;2.02;24753786;;;CHEMBL3263996;GENER;EPAM;25;0;"ph = 6.5, <a href=https://www.ebi.ac.uk/chembl/assay_report_card/CHEMBL3267835/  target=_blank>CHEMBL3267835</a>";;;;;;;;;-5.15;;;;;;;;;;;;"Aoki T, Hyohdoh I, Furuichi N, Ozawa S, Watanabe F, Matsushita M, Sakaitani M, Morikami K, Takanashi K, Harada N, Tomii Y, Shiraki K, Furumoto K, Tabo M, Yoshinari K, Ori K, Aoki Y, Shimma N, Iikura H.: Optimizing the Physicochemical Properties of Raf/MEK Inhibitors by Nitrogen Scanning. ACS Med Chem Lett, Volume 5 (4), 2014";ChEMBL
MM474463;MM474463;NC1CCC(Nc2ccc3ncc(-c4cnc(Nc5ccccc5)nc4)n3n2)CC1;KUNDZIQYLIUGDW-SAABIXHNSA-N;400.49;3.61;53357315;;;CHEMBL3264055;GENER;EPAM;25;0;"<a href=https://www.ebi.ac.uk/chembl/assay_report_card/CHEMBL3265830/  target=_blank>CHEMBL3265830</a>";;;;;;;;;-6.7;;;;;;;;;;;;"Chapman TM, Osborne SA, Wallace C, Birchall K, Bouloc N, Jones HM, Ansell KH, Taylor DL, Clough B, Green JL, Holder AA.: Optimization of an imidazopyridazine series of inhibitors of Plasmodium falciparum calcium-dependent protein kinase 1 (PfCDPK1). J Med Chem, Volume 57 (8), 2014";ChEMBL
MM474464;MM474464;NC1CCC(Nc2ccc3ncc(-c4cnc(Nc5ncccc5F)nc4)n3n2)CC1;BBQRBXPCOFYEMM-SHTZXODSSA-N;419.47;3.15;66550504;;;CHEMBL3264059;GENER;EPAM;25;0;"<a href=https://www.ebi.ac.uk/chembl/assay_report_card/CHEMBL3265830/  target=_blank>CHEMBL3265830</a>";;;;;;;;;-6.4;;;;;;;;;;;;"Chapman TM, Osborne SA, Wallace C, Birchall K, Bouloc N, Jones HM, Ansell KH, Taylor DL, Clough B, Green JL, Holder AA.: Optimization of an imidazopyridazine series of inhibitors of Plasmodium falciparum calcium-dependent protein kinase 1 (PfCDPK1). J Med Chem, Volume 57 (8), 2014";ChEMBL
MM474465;MM474465;CN1CCC(Nc2ccc3ncc(-c4cnc(Nc5ncccc5F)nc4)n3n2)CC1;NUSGNSWNFVVVGS-UHFFFAOYSA-N;419.47;2.97;66550907;;;CHEMBL3264065;GENER;EPAM;25;0;"<a href=https://www.ebi.ac.uk/chembl/assay_report_card/CHEMBL3265830/  target=_blank>CHEMBL3265830</a>";;;;;;;;;-7;;;;;;;;;;;;"Chapman TM, Osborne SA, Wallace C, Birchall K, Bouloc N, Jones HM, Ansell KH, Taylor DL, Clough B, Green JL, Holder AA.: Optimization of an imidazopyridazine series of inhibitors of Plasmodium falciparum calcium-dependent protein kinase 1 (PfCDPK1). J Med Chem, Volume 57 (8), 2014";ChEMBL
MM474466;MM474466;CN1CCC(Nc2ccc3ncc(-c4ccc(Nc5ncccc5F)nc4)n3n2)CC1;GJJVSRXRDRWYEN-UHFFFAOYSA-N;418.48;3.58;66551901;;;CHEMBL3264066;GENER;EPAM;25;0;"<a href=https://www.ebi.ac.uk/chembl/assay_report_card/CHEMBL3265830/  target=_blank>CHEMBL3265830</a>";;;;;;;;;-5.19;;;;;;;;;;;;"Chapman TM, Osborne SA, Wallace C, Birchall K, Bouloc N, Jones HM, Ansell KH, Taylor DL, Clough B, Green JL, Holder AA.: Optimization of an imidazopyridazine series of inhibitors of Plasmodium falciparum calcium-dependent protein kinase 1 (PfCDPK1). J Med Chem, Volume 57 (8), 2014";ChEMBL
MM474467;MM474467;Cc1ccc2ncc(-c3cnc(Nc4ncccc4F)nc3)n2n1;GIHCWBCPXWYSOY-UHFFFAOYSA-N;321.32;2.77;90677026;;;CHEMBL3264067;GENER;EPAM;25;0;"<a href=https://www.ebi.ac.uk/chembl/assay_report_card/CHEMBL3265830/  target=_blank>CHEMBL3265830</a>";;;;;;;;;-4.86;;;;;;;;;;;;"Chapman TM, Osborne SA, Wallace C, Birchall K, Bouloc N, Jones HM, Ansell KH, Taylor DL, Clough B, Green JL, Holder AA.: Optimization of an imidazopyridazine series of inhibitors of Plasmodium falciparum calcium-dependent protein kinase 1 (PfCDPK1). J Med Chem, Volume 57 (8), 2014";ChEMBL
Imipramine;MM00504;CN(C)CCCN1c2ccccc2CCc2ccccc21;BCGWQEUPMDMJNV-UHFFFAOYSA-N;280.42;3.88;3696;DB00458;IXX;CHEMBL11;BBB;EPAM;25;0;"<a href=https://www.ebi.ac.uk/chembl/assay_report_card/CHEMBL1960718/  target=_blank>CHEMBL1960718</a>";;;;;;;;;-4.94;;;;;;;;;;;;"Tang H, Zhao HT, Zhong SM, Wang ZY, Chen ZF, Liang H.: Novel oxoisoaporphine-based inhibitors of acetyl- and butyrylcholinesterase and acetylcholinesterase-induced beta-amyloid aggregation. Bioorg Med Chem Lett, Volume 22 (6), 2012";ChEMBL
Imipramine;MM00504;CN(C)CCCN1c2ccccc2CCc2ccccc21;BCGWQEUPMDMJNV-UHFFFAOYSA-N;280.42;3.88;3696;DB00458;IXX;CHEMBL11;BBB;EPAM;25;0;"<a href=https://www.ebi.ac.uk/chembl/assay_report_card/CHEMBL3383778/  target=_blank>CHEMBL3383778</a>";;;;;;;;;-4.91;;;;;;;;;;;;"Sola I, Artigas A, Taylor MC, Gbedema SY, Pérez B, Clos MV, Wright CW, Kelly JM, Muñoz-Torrero D.: Synthesis and antiprotozoal activity of oligomethylene- and  p-phenylene-bis(methylene)-linked bis(+)-huprines. Bioorg Med Chem Lett, Volume 24 (23), 2014";ChEMBL
MM474468;MM474468;Fc1cccnc1Nc1ncc(-c2cnc3ccc(N4CCNCC4)nn23)cn1;ZMGPVFCVEANUCP-UHFFFAOYSA-N;391.41;1.87;66551112;;;CHEMBL3264068;GENER;EPAM;25;0;"<a href=https://www.ebi.ac.uk/chembl/assay_report_card/CHEMBL3265830/  target=_blank>CHEMBL3265830</a>";;;;;;;;;-6.4;;;;;;;;;;;;"Chapman TM, Osborne SA, Wallace C, Birchall K, Bouloc N, Jones HM, Ansell KH, Taylor DL, Clough B, Green JL, Holder AA.: Optimization of an imidazopyridazine series of inhibitors of Plasmodium falciparum calcium-dependent protein kinase 1 (PfCDPK1). J Med Chem, Volume 57 (8), 2014";ChEMBL
Imipramine;MM00504;CN(C)CCCN1c2ccccc2CCc2ccccc21;BCGWQEUPMDMJNV-UHFFFAOYSA-N;280.42;3.88;3696;DB00458;IXX;CHEMBL11;BBB;EPAM;25;0;"<a href=https://www.ebi.ac.uk/chembl/assay_report_card/CHEMBL4004497/  target=_blank>CHEMBL4004497</a>";;;;;;;;;-5;;;;;;;;;;;;"Qiang X, Li Y, Yang X, Luo L, Xu R, Zheng Y, Cao Z, Tan Z, Deng Y.: DL-3-n-butylphthalide-Edaravone hybrids as novel dual inhibitors of amyloid-β aggregation and monoamine oxidases with high antioxidant potency for Alzheimer's therapy. Bioorg Med Chem Lett, Volume 27 (4), 2017";ChEMBL
MM474469;MM474469;CN1CCN(c2ccc3ncc(-c4cnc(Nc5ncccc5F)nc4)n3n2)CC1;RWLQLQUIWSECFE-UHFFFAOYSA-N;405.44;2.22;66551113;;;CHEMBL3264069;GENER;EPAM;25;0;"<a href=https://www.ebi.ac.uk/chembl/assay_report_card/CHEMBL3265830/  target=_blank>CHEMBL3265830</a>";;;;;;;;;-5.21;;;;;;;;;;;;"Chapman TM, Osborne SA, Wallace C, Birchall K, Bouloc N, Jones HM, Ansell KH, Taylor DL, Clough B, Green JL, Holder AA.: Optimization of an imidazopyridazine series of inhibitors of Plasmodium falciparum calcium-dependent protein kinase 1 (PfCDPK1). J Med Chem, Volume 57 (8), 2014";ChEMBL
MM474470;MM474470;CN1CCC(Nc2ccc3ncc(-c4cnc(Nc5ncccc5F)nc4)n3n2)C1;SHANUAHHWNWIQJ-AWEZNQCLSA-N;405.44;2.58;90677028;;;CHEMBL3264071;GENER;EPAM;25;0;"<a href=https://www.ebi.ac.uk/chembl/assay_report_card/CHEMBL3265830/  target=_blank>CHEMBL3265830</a>";;;;;;;;;-6.7;;;;;;;;;;;;"Chapman TM, Osborne SA, Wallace C, Birchall K, Bouloc N, Jones HM, Ansell KH, Taylor DL, Clough B, Green JL, Holder AA.: Optimization of an imidazopyridazine series of inhibitors of Plasmodium falciparum calcium-dependent protein kinase 1 (PfCDPK1). J Med Chem, Volume 57 (8), 2014";ChEMBL
MM474471;MM474471;Fc1cccnc1Nc1ncc(-c2cnc3ccc(NCCN4CCOCC4)nn23)cn1;AWBZWMFDDAZDBC-UHFFFAOYSA-N;435.47;2.21;66551704;;;CHEMBL3264072;GENER;EPAM;25;0;"<a href=https://www.ebi.ac.uk/chembl/assay_report_card/CHEMBL3265830/  target=_blank>CHEMBL3265830</a>";;;;;;;;;-5.57;;;;;;;;;;;;"Chapman TM, Osborne SA, Wallace C, Birchall K, Bouloc N, Jones HM, Ansell KH, Taylor DL, Clough B, Green JL, Holder AA.: Optimization of an imidazopyridazine series of inhibitors of Plasmodium falciparum calcium-dependent protein kinase 1 (PfCDPK1). J Med Chem, Volume 57 (8), 2014";ChEMBL
Imipramine;MM00504;CN(C)CCCN1c2ccccc2CCc2ccccc21;BCGWQEUPMDMJNV-UHFFFAOYSA-N;280.42;3.88;3696;DB00458;IXX;CHEMBL11;BBB;EPAM;25;0;"<a href=https://www.ebi.ac.uk/chembl/assay_report_card/CHEMBL4048115/  target=_blank>CHEMBL4048115</a>";;;;;;;;;-5;;;;;;;;;;;;"Sang Z, Wang K, Wang H, Wang H, Ma Q, Han X, Ye M, Yu L, Liu W.: Design, synthesis and biological evaluation of 2-acetyl-5-O-(amino-alkyl)phenol derivatives as multifunctional agents for the treatment of Alzheimer's disease. Bioorg Med Chem Lett, Volume 27 (22), 2017";ChEMBL
MM474472;MM474472;CN1CCN(CCNc2ccc3ncc(-c4cnc(Nc5ncccc5F)nc4)n3n2)CC1;FOKYQBPPTCMXFQ-UHFFFAOYSA-N;448.51;2.12;66551307;;;CHEMBL3264073;GENER;EPAM;25;0;"<a href=https://www.ebi.ac.uk/chembl/assay_report_card/CHEMBL3265830/  target=_blank>CHEMBL3265830</a>";;;;;;;;;-6.4;;;;;;;;;;;;"Chapman TM, Osborne SA, Wallace C, Birchall K, Bouloc N, Jones HM, Ansell KH, Taylor DL, Clough B, Green JL, Holder AA.: Optimization of an imidazopyridazine series of inhibitors of Plasmodium falciparum calcium-dependent protein kinase 1 (PfCDPK1). J Med Chem, Volume 57 (8), 2014";ChEMBL
MM474473;MM474473;Fc1cccnc1Nc1ncc(-c2cnc3ccc(NCCN4CCCC4)nn23)cn1;RGKNLFDRKCNISS-UHFFFAOYSA-N;419.47;2.97;66551513;;;CHEMBL3264074;GENER;EPAM;25;0;"<a href=https://www.ebi.ac.uk/chembl/assay_report_card/CHEMBL3265830/  target=_blank>CHEMBL3265830</a>";;;;;;;;;-6.22;;;;;;;;;;;;"Chapman TM, Osborne SA, Wallace C, Birchall K, Bouloc N, Jones HM, Ansell KH, Taylor DL, Clough B, Green JL, Holder AA.: Optimization of an imidazopyridazine series of inhibitors of Plasmodium falciparum calcium-dependent protein kinase 1 (PfCDPK1). J Med Chem, Volume 57 (8), 2014";ChEMBL
Naproxen;MM00672;COc1ccc2cc(C(C)C(=O)O)ccc2c1;CMWTZPSULFXXJA-UHFFFAOYSA-N;230.26;3.04;156391;DB00788;NPS;CHEMBL154;GENER;EPAM;25;0;"<a href=https://www.ebi.ac.uk/chembl/assay_report_card/CHEMBL3066824/  target=_blank>CHEMBL3066824</a>";;;;;;;;;-5.3;;;;;;;;;;;;"Akamatsu M.: Importance of physicochemical properties for the design of new pesticides. J Agric Food Chem, Volume 59 (7), 2011";ChEMBL
MM474474;MM474474;Fc1cccnc1Nc1ncc(-c2cnc3ccc(NC4CCC(N5CCOCC5)CC4)nn23)cn1;DUFJLIPMQNABSH-WGSAOQKQSA-N;489.56;3.52;66551705;;;CHEMBL3264075;GENER;EPAM;25;0;"<a href=https://www.ebi.ac.uk/chembl/assay_report_card/CHEMBL3265830/  target=_blank>CHEMBL3265830</a>";;;;;;;;;-5.77;;;;;;;;;;;;"Chapman TM, Osborne SA, Wallace C, Birchall K, Bouloc N, Jones HM, Ansell KH, Taylor DL, Clough B, Green JL, Holder AA.: Optimization of an imidazopyridazine series of inhibitors of Plasmodium falciparum calcium-dependent protein kinase 1 (PfCDPK1). J Med Chem, Volume 57 (8), 2014";ChEMBL
Naproxen;MM00672;COc1ccc2cc(C(C)C(=O)O)ccc2c1;CMWTZPSULFXXJA-UHFFFAOYSA-N;230.26;3.04;156391;DB00788;NPS;CHEMBL154;GENER;EPAM;25;0;"<a href=https://www.ebi.ac.uk/chembl/assay_report_card/CHEMBL3366337/  target=_blank>CHEMBL3366337</a>";;;;;;;;;-6.2;;;;;;;;;;;;"Skoda EM, Sacher JR, Kazancioglu MZ, Saha J, Wipf P.: An uncharged oxetanyl sulfoxide as a covalent modifier for improving aqueous solubility. ACS Med Chem Lett, Volume 5 (8), 2014";ChEMBL
MM474475;MM474475;Fc1cccnc1Nc1ncc(-c2cnc3ccc(NC4CCC(N5CCCC5)CC4)nn23)cn1;FWEXBPHIHWIZFZ-WGSAOQKQSA-N;473.56;4.28;66551707;;;CHEMBL3264076;GENER;EPAM;25;0;"<a href=https://www.ebi.ac.uk/chembl/assay_report_card/CHEMBL3265830/  target=_blank>CHEMBL3265830</a>";;;;;;;;;-6.52;;;;;;;;;;;;"Chapman TM, Osborne SA, Wallace C, Birchall K, Bouloc N, Jones HM, Ansell KH, Taylor DL, Clough B, Green JL, Holder AA.: Optimization of an imidazopyridazine series of inhibitors of Plasmodium falciparum calcium-dependent protein kinase 1 (PfCDPK1). J Med Chem, Volume 57 (8), 2014";ChEMBL
Imipramine;MM00504;CN(C)CCCN1c2ccccc2CCc2ccccc21;BCGWQEUPMDMJNV-UHFFFAOYSA-N;280.42;3.88;3696;DB00458;IXX;CHEMBL11;BBB;EPAM;25;0;"<a href=https://www.ebi.ac.uk/chembl/assay_report_card/CHEMBL1833719/  target=_blank>CHEMBL1833719</a>";;;;;;;;;-4.94;;;;;;;;;;;;"Tang H, Zhao LZ, Zhao HT, Huang SL, Zhong SM, Qin JK, Chen ZF, Huang ZS, Liang H.: Hybrids of oxoisoaporphine-tacrine congeners: novel acetylcholinesterase and acetylcholinesterase-induced β-amyloid aggregation inhibitors. Eur J Med Chem, Volume 46 (10), 2011";ChEMBL
MM474476;MM474476;CN1CCC(Oc2ccc3ncc(-c4cnc(Nc5ncccc5F)nc4)n3n2)CC1;JQHYJLKEPNQOSJ-UHFFFAOYSA-N;420.45;2.94;66551309;;;CHEMBL3264077;GENER;EPAM;25;0;"<a href=https://www.ebi.ac.uk/chembl/assay_report_card/CHEMBL3265830/  target=_blank>CHEMBL3265830</a>";;;;;;;;;-5.57;;;;;;;;;;;;"Chapman TM, Osborne SA, Wallace C, Birchall K, Bouloc N, Jones HM, Ansell KH, Taylor DL, Clough B, Green JL, Holder AA.: Optimization of an imidazopyridazine series of inhibitors of Plasmodium falciparum calcium-dependent protein kinase 1 (PfCDPK1). J Med Chem, Volume 57 (8), 2014";ChEMBL
MM474477;MM474477;CN1CCC(Oc2ccc3ncc(-c4cnc(Nc5ncccc5F)nc4)n3n2)C1;QJHLVRVUCGSGKG-AWEZNQCLSA-N;406.43;2.55;90677029;;;CHEMBL3264078;GENER;EPAM;25;0;"<a href=https://www.ebi.ac.uk/chembl/assay_report_card/CHEMBL3265830/  target=_blank>CHEMBL3265830</a>";;;;;;;;;-5.55;;;;;;;;;;;;"Chapman TM, Osborne SA, Wallace C, Birchall K, Bouloc N, Jones HM, Ansell KH, Taylor DL, Clough B, Green JL, Holder AA.: Optimization of an imidazopyridazine series of inhibitors of Plasmodium falciparum calcium-dependent protein kinase 1 (PfCDPK1). J Med Chem, Volume 57 (8), 2014";ChEMBL
Imipramine;MM00504;CN(C)CCCN1c2ccccc2CCc2ccccc21;BCGWQEUPMDMJNV-UHFFFAOYSA-N;280.42;3.88;3696;DB00458;IXX;CHEMBL11;BBB;EPAM;25;0;"<a href=https://www.ebi.ac.uk/chembl/assay_report_card/CHEMBL3364959/  target=_blank>CHEMBL3364959</a>";;;;;;;;;-4.91;;;;;;;;;;;;"Di Pietro O, Pérez-Areales FJ, Juárez-Jiménez J, Espargaró A, Clos MV, Pérez B, Lavilla R, Sabaté R, Luque FJ, Muñoz-Torrero D.: Tetrahydrobenzo[h][1,6]naphthyridine-6-chlorotacrine hybrids as a new family of anti-Alzheimer agents targeting β-amyloid, tau, and cholinesterase pathologies. Eur J Med Chem, Volume 84, 2014";ChEMBL
MM474478;MM474478;CN1CCC(Cc2ccc3ncc(-c4cnc(Nc5ncccc5F)nc4)n3n2)CC1;VQPBKJQXLCYOIZ-UHFFFAOYSA-N;418.48;3.35;66548925;;;CHEMBL3264079;GENER;EPAM;25;0;"<a href=https://www.ebi.ac.uk/chembl/assay_report_card/CHEMBL3265830/  target=_blank>CHEMBL3265830</a>";;;;;;;;;-6.4;;;;;;;;;;;;"Chapman TM, Osborne SA, Wallace C, Birchall K, Bouloc N, Jones HM, Ansell KH, Taylor DL, Clough B, Green JL, Holder AA.: Optimization of an imidazopyridazine series of inhibitors of Plasmodium falciparum calcium-dependent protein kinase 1 (PfCDPK1). J Med Chem, Volume 57 (8), 2014";ChEMBL
Imipramine;MM00504;CN(C)CCCN1c2ccccc2CCc2ccccc21;BCGWQEUPMDMJNV-UHFFFAOYSA-N;280.42;3.88;3696;DB00458;IXX;CHEMBL11;BBB;EPAM;25;0;"<a href=https://www.ebi.ac.uk/chembl/assay_report_card/CHEMBL3743403/  target=_blank>CHEMBL3743403</a>";;;;;;;;;-4.89;;;;;;;;;;;;"Di Pietro O, Vicente-García E, Taylor MC, Berenguer D, Viayna E, Lanzoni A, Sola I, Sayago H, Riera C, Fisa R, Clos MV, Pérez B, Kelly JM, Lavilla R, Muñoz-Torrero D.: Multicomponent reaction-based synthesis and biological evaluation of tricyclic heterofused quinolines with multi-trypanosomatid activity. Eur J Med Chem, Volume 105, 2015";ChEMBL
MM474479;MM474479;CN1CCC(Nc2ccc3ncc(-c4ccc(Nc5ncccc5F)cc4)n3n2)CC1;CMNZLOPMBPOKHY-UHFFFAOYSA-N;417.49;4.18;66551902;;;CHEMBL3264080;GENER;EPAM;25;0;"<a href=https://www.ebi.ac.uk/chembl/assay_report_card/CHEMBL3265830/  target=_blank>CHEMBL3265830</a>";;;;;;;;;-4.77;;;;;;;;;;;;"Chapman TM, Osborne SA, Wallace C, Birchall K, Bouloc N, Jones HM, Ansell KH, Taylor DL, Clough B, Green JL, Holder AA.: Optimization of an imidazopyridazine series of inhibitors of Plasmodium falciparum calcium-dependent protein kinase 1 (PfCDPK1). J Med Chem, Volume 57 (8), 2014";ChEMBL
MM474120;MM474120;CNc1nc(Cc2ccccc2)nc2c1CCNCC2C;IHHALLDEDARSAL-LBPRGKRZSA-N;282.39;2.36;90644511;;;CHEMBL3286556;GENER;EPAM;25;0;"<a href=https://www.ebi.ac.uk/chembl/assay_report_card/CHEMBL3292422/  target=_blank>CHEMBL3292422</a>";;;;;;;;;-4.96;;;;;;;;;;;;"Storer RI, Brennan PE, Brown AD, Bungay PJ, Conlon KM, Corbett MS, DePianta RP, Fish PV, Heifetz A, Ho DK, Jessiman AS, McMurray G, de Oliveira CA, Roberts LR, Root JA, Shanmugasundaram V, Shapiro MJ, Skerten M, Westbrook D, Wheeler S, Whitlock GA, Wright J.: Multiparameter optimization in CNS drug discovery: design of pyrimido[4,5-d]azepines as potent 5-hydroxytryptamine 2C (5-HT₂C) receptor agonists with exquisite functional selectivity over 5-HT₂A and 5-HT₂B receptors. J Med Chem, Volume 57 (12), 2014";ChEMBL
Imipramine;MM00504;CN(C)CCCN1c2ccccc2CCc2ccccc21;BCGWQEUPMDMJNV-UHFFFAOYSA-N;280.42;3.88;3696;DB00458;IXX;CHEMBL11;BBB;EPAM;25;0;"<a href=https://www.ebi.ac.uk/chembl/assay_report_card/CHEMBL4003401/  target=_blank>CHEMBL4003401</a>";;;;;;;;;-5;;;;;;;;;;;;"Li Y, Qiang X, Luo L, Yang X, Xiao G, Liu Q, Ai J, Tan Z, Deng Y.: Aurone Mannich base derivatives as promising multifunctional agents with acetylcholinesterase inhibition, anti-β-amyloid aggragation and neuroprotective properties for the treatment of Alzheimer's disease. Eur J Med Chem, Volume 126, 2017";ChEMBL
Imipramine;MM00504;CN(C)CCCN1c2ccccc2CCc2ccccc21;BCGWQEUPMDMJNV-UHFFFAOYSA-N;280.42;3.88;3696;DB00458;IXX;CHEMBL11;BBB;EPAM;25;0;"<a href=https://www.ebi.ac.uk/chembl/assay_report_card/CHEMBL4003402/  target=_blank>CHEMBL4003402</a>";;;;;;;;;-4.89;;;;;;;;;;;;"Li Y, Qiang X, Luo L, Yang X, Xiao G, Liu Q, Ai J, Tan Z, Deng Y.: Aurone Mannich base derivatives as promising multifunctional agents with acetylcholinesterase inhibition, anti-β-amyloid aggragation and neuroprotective properties for the treatment of Alzheimer's disease. Eur J Med Chem, Volume 126, 2017";ChEMBL
MM474121;MM474121;CNc1nc(C(F)(F)c2ccccc2)nc2c1CCNCC2;XYHWHDGNYCZFTQ-UHFFFAOYSA-N;304.34;2.35;25070577;;;CHEMBL3286557;GENER;EPAM;25;0;"<a href=https://www.ebi.ac.uk/chembl/assay_report_card/CHEMBL3292422/  target=_blank>CHEMBL3292422</a>";;;;;;;;;-4.96;;;;;;;;;;;;"Storer RI, Brennan PE, Brown AD, Bungay PJ, Conlon KM, Corbett MS, DePianta RP, Fish PV, Heifetz A, Ho DK, Jessiman AS, McMurray G, de Oliveira CA, Roberts LR, Root JA, Shanmugasundaram V, Shapiro MJ, Skerten M, Westbrook D, Wheeler S, Whitlock GA, Wright J.: Multiparameter optimization in CNS drug discovery: design of pyrimido[4,5-d]azepines as potent 5-hydroxytryptamine 2C (5-HT₂C) receptor agonists with exquisite functional selectivity over 5-HT₂A and 5-HT₂B receptors. J Med Chem, Volume 57 (12), 2014";ChEMBL
MM474119;MM474119;CNc1nc(Cc2ccccc2)nc2c1CCNCC2;VIARDDXFSMLNLG-UHFFFAOYSA-N;268.36;1.8;25070909;;;CHEMBL3286561;GENER;EPAM;25;0;"<a href=https://www.ebi.ac.uk/chembl/assay_report_card/CHEMBL3292422/  target=_blank>CHEMBL3292422</a>";;;;;;;;;-5;;;;;;;;;;;;"Storer RI, Brennan PE, Brown AD, Bungay PJ, Conlon KM, Corbett MS, DePianta RP, Fish PV, Heifetz A, Ho DK, Jessiman AS, McMurray G, de Oliveira CA, Roberts LR, Root JA, Shanmugasundaram V, Shapiro MJ, Skerten M, Westbrook D, Wheeler S, Whitlock GA, Wright J.: Multiparameter optimization in CNS drug discovery: design of pyrimido[4,5-d]azepines as potent 5-hydroxytryptamine 2C (5-HT₂C) receptor agonists with exquisite functional selectivity over 5-HT₂A and 5-HT₂B receptors. J Med Chem, Volume 57 (12), 2014";ChEMBL
MM472656;MM472656;Cc1c(OCCCCOc2ccc(C(=O)O)cc2)ccc(C(=O)CC(C)C)c1O;ULWCVJYRXWBACL-UHFFFAOYSA-N;400.47;4.87;56929215;;;CHEMBL3287671;GENER;EPAM;25;0;"<a href=https://www.ebi.ac.uk/chembl/assay_report_card/CHEMBL3293520/  target=_blank>CHEMBL3293520</a>";;;;;;;;;-5.17;;;;;;;;;;;;"Dhanya RP, Sheffler DJ, Dahl R, Davis M, Lee PS, Yang L, Nickols HH, Cho HP, Smith LH, D'Souza MS, Conn PJ, Der-Avakian A, Markou A, Cosford ND.: Design and synthesis of systemically active metabotropic glutamate subtype-2 and -3 (mGlu2/3) receptor positive allosteric modulators (PAMs): pharmacological characterization and assessment in a rat model of cocaine dependence. J Med Chem, Volume 57 (10), 2014";ChEMBL
MM472657;MM472657;Cc1c(OCCCCOc2cccc(C(=O)O)c2)ccc(C(=O)CC(C)C)c1C;NVFAFQYWWWEFLB-UHFFFAOYSA-N;398.5;5.47;90680952;;;CHEMBL3287673;GENER;EPAM;25;0;"<a href=https://www.ebi.ac.uk/chembl/assay_report_card/CHEMBL3293520/  target=_blank>CHEMBL3293520</a>";;;;;;;;;-5.47;;;;;;;;;;;;"Dhanya RP, Sheffler DJ, Dahl R, Davis M, Lee PS, Yang L, Nickols HH, Cho HP, Smith LH, D'Souza MS, Conn PJ, Der-Avakian A, Markou A, Cosford ND.: Design and synthesis of systemically active metabotropic glutamate subtype-2 and -3 (mGlu2/3) receptor positive allosteric modulators (PAMs): pharmacological characterization and assessment in a rat model of cocaine dependence. J Med Chem, Volume 57 (10), 2014";ChEMBL
MM472658;MM472658;Cc1c(OCCCCOc2cccc(C(=O)O)c2)ccc(C(=O)CC(C)C)c1O;BTAUFYWICSLREV-UHFFFAOYSA-N;400.47;4.87;90643860;;;CHEMBL3287675;GENER;EPAM;25;0;"<a href=https://www.ebi.ac.uk/chembl/assay_report_card/CHEMBL3293520/  target=_blank>CHEMBL3293520</a>";;;;;;;;;-5.19;;;;;;;;;;;;"Dhanya RP, Sheffler DJ, Dahl R, Davis M, Lee PS, Yang L, Nickols HH, Cho HP, Smith LH, D'Souza MS, Conn PJ, Der-Avakian A, Markou A, Cosford ND.: Design and synthesis of systemically active metabotropic glutamate subtype-2 and -3 (mGlu2/3) receptor positive allosteric modulators (PAMs): pharmacological characterization and assessment in a rat model of cocaine dependence. J Med Chem, Volume 57 (10), 2014";ChEMBL
MM473216;MM473216;CN(C)C(=O)c1cccc(-n2sc3ccccc3c2=O)c1;;298.37;2.75;16749996;;;CHEMBL1570441;GENER;EPAM;25;0;"<a href=https://www.ebi.ac.uk/chembl/assay_report_card/CHEMBL3375693/  target=_blank>CHEMBL3375693</a>";;;;;;;;;-4.01;;;;;;;;;;;;"Bravo Y, Teriete P, Dhanya RP, Dahl R, Lee PS, Kiffer-Moreira T, Ganji SR, Sergienko E, Smith LH, Farquharson C, Millán JL, Cosford ND.: Design, synthesis and evaluation of benzoisothiazolones as selective inhibitors of PHOSPHO1. Bioorg Med Chem Lett, Volume 24 (17), 2014";ChEMBL
MM472659;MM472659;Cc1c(OCCCCOc2cccc(C(=O)O)c2)ccc(C(=O)CC2CCCC2)c1O;UUGVIOPJBPICMU-UHFFFAOYSA-N;426.51;5.4;90643861;;;CHEMBL3287676;GENER;EPAM;25;0;"<a href=https://www.ebi.ac.uk/chembl/assay_report_card/CHEMBL3293520/  target=_blank>CHEMBL3293520</a>";;;;;;;;;-4.99;;;;;;;;;;;;"Dhanya RP, Sheffler DJ, Dahl R, Davis M, Lee PS, Yang L, Nickols HH, Cho HP, Smith LH, D'Souza MS, Conn PJ, Der-Avakian A, Markou A, Cosford ND.: Design and synthesis of systemically active metabotropic glutamate subtype-2 and -3 (mGlu2/3) receptor positive allosteric modulators (PAMs): pharmacological characterization and assessment in a rat model of cocaine dependence. J Med Chem, Volume 57 (10), 2014";ChEMBL
Imipramine;MM00504;CN(C)CCCN1c2ccccc2CCc2ccccc21;BCGWQEUPMDMJNV-UHFFFAOYSA-N;280.42;3.88;3696;DB00458;IXX;CHEMBL11;BBB;EPAM;25;0;"<a href=https://www.ebi.ac.uk/chembl/assay_report_card/CHEMBL4147571/  target=_blank>CHEMBL4147571</a>";;;;;;;;;-4.82;;;;;;;;;;;;"Jiang N, Huang Q, Liu J, Liang N, Li Q, Li Q, Xie SS.: Design, synthesis and biological evaluation of new coumarin-dithiocarbamate hybrids as multifunctional agents for the treatment of Alzheimer's disease. Eur J Med Chem, Volume 146, 2018";ChEMBL
Imipramine;MM00504;CN(C)CCCN1c2ccccc2CCc2ccccc21;BCGWQEUPMDMJNV-UHFFFAOYSA-N;280.42;3.88;3696;DB00458;IXX;CHEMBL11;BBB;EPAM;25;0;"<a href=https://www.ebi.ac.uk/chembl/assay_report_card/CHEMBL4147572/  target=_blank>CHEMBL4147572</a>";;;;;;;;;-4.89;;;;;;;;;;;;"Jiang N, Huang Q, Liu J, Liang N, Li Q, Li Q, Xie SS.: Design, synthesis and biological evaluation of new coumarin-dithiocarbamate hybrids as multifunctional agents for the treatment of Alzheimer's disease. Eur J Med Chem, Volume 146, 2018";ChEMBL
MM472660;MM472660;Cc1c(OCCCCOc2ccccc2C(=O)O)ccc(C(=O)CC(C)C)c1C;OPZYRVOATYJQKL-UHFFFAOYSA-N;398.5;5.47;90643890;;;CHEMBL3287677;GENER;EPAM;25;0;"<a href=https://www.ebi.ac.uk/chembl/assay_report_card/CHEMBL3293520/  target=_blank>CHEMBL3293520</a>";;;;;;;;;-4.69;;;;;;;;;;;;"Dhanya RP, Sheffler DJ, Dahl R, Davis M, Lee PS, Yang L, Nickols HH, Cho HP, Smith LH, D'Souza MS, Conn PJ, Der-Avakian A, Markou A, Cosford ND.: Design and synthesis of systemically active metabotropic glutamate subtype-2 and -3 (mGlu2/3) receptor positive allosteric modulators (PAMs): pharmacological characterization and assessment in a rat model of cocaine dependence. J Med Chem, Volume 57 (10), 2014";ChEMBL
MM472661;MM472661;Cc1c(OCCCCOc2ccc(C(=O)O)c(Cl)c2)ccc(C(=O)CC2CCCC2)c1O;ZNRWBONOBRNVRG-UHFFFAOYSA-N;460.95;6.05;90643864;;;CHEMBL3287684;GENER;EPAM;25;0;"<a href=https://www.ebi.ac.uk/chembl/assay_report_card/CHEMBL3293520/  target=_blank>CHEMBL3293520</a>";;;;;;;;;-5.33;;;;;;;;;;;;"Dhanya RP, Sheffler DJ, Dahl R, Davis M, Lee PS, Yang L, Nickols HH, Cho HP, Smith LH, D'Souza MS, Conn PJ, Der-Avakian A, Markou A, Cosford ND.: Design and synthesis of systemically active metabotropic glutamate subtype-2 and -3 (mGlu2/3) receptor positive allosteric modulators (PAMs): pharmacological characterization and assessment in a rat model of cocaine dependence. J Med Chem, Volume 57 (10), 2014";ChEMBL
Imipramine;MM00504;CN(C)CCCN1c2ccccc2CCc2ccccc21;BCGWQEUPMDMJNV-UHFFFAOYSA-N;280.42;3.88;3696;DB00458;IXX;CHEMBL11;BBB;EPAM;25;0;"<a href=https://www.ebi.ac.uk/chembl/assay_report_card/CHEMBL4198703/  target=_blank>CHEMBL4198703</a>";;;;;;;;;-5.15;;;;;;;;;;;;"Hepnarova V, Korabecny J, Matouskova L, Jost P, Muckova L, Hrabinova M, Vykoukalova N, Kerhartova M, Kucera T, Dolezal R, Nepovimova E, Spilovska K, Mezeiova E, Pham NL, Jun D, Staud F, Kaping D, Kuca K, Soukup O.: The concept of hybrid molecules of tacrine and benzyl quinolone carboxylic acid (BQCA) as multifunctional agents for Alzheimer's disease. Eur J Med Chem, Volume 150, 2018";ChEMBL
Imipramine;MM00504;CN(C)CCCN1c2ccccc2CCc2ccccc21;BCGWQEUPMDMJNV-UHFFFAOYSA-N;280.42;3.88;3696;DB00458;IXX;CHEMBL11;BBB;EPAM;25;0;"<a href=https://www.ebi.ac.uk/chembl/assay_report_card/CHEMBL4198704/  target=_blank>CHEMBL4198704</a>";;;;;;;;;-5.02;;;;;;;;;;;;"Hepnarova V, Korabecny J, Matouskova L, Jost P, Muckova L, Hrabinova M, Vykoukalova N, Kerhartova M, Kucera T, Dolezal R, Nepovimova E, Spilovska K, Mezeiova E, Pham NL, Jun D, Staud F, Kaping D, Kuca K, Soukup O.: The concept of hybrid molecules of tacrine and benzyl quinolone carboxylic acid (BQCA) as multifunctional agents for Alzheimer's disease. Eur J Med Chem, Volume 150, 2018";ChEMBL
MM472662;MM472662;Cc1c(OCCCCOc2ccc(F)c(C(=O)O)c2)ccc(C(=O)CC(C)C)c1O;VOAWHZVCPXGDSD-UHFFFAOYSA-N;418.46;5;90643865;;;CHEMBL3287687;GENER;EPAM;25;0;"<a href=https://www.ebi.ac.uk/chembl/assay_report_card/CHEMBL3293520/  target=_blank>CHEMBL3293520</a>";;;;;;;;;-5.43;;;;;;;;;;;;"Dhanya RP, Sheffler DJ, Dahl R, Davis M, Lee PS, Yang L, Nickols HH, Cho HP, Smith LH, D'Souza MS, Conn PJ, Der-Avakian A, Markou A, Cosford ND.: Design and synthesis of systemically active metabotropic glutamate subtype-2 and -3 (mGlu2/3) receptor positive allosteric modulators (PAMs): pharmacological characterization and assessment in a rat model of cocaine dependence. J Med Chem, Volume 57 (10), 2014";ChEMBL
MM472663;MM472663;Cc1ccc(C(=O)O)cc1OCCCCOc1ccc(C(=O)CC(C)C)c(O)c1C;IXQOSACEYQVKSU-UHFFFAOYSA-N;414.5;5.17;90643867;;;CHEMBL3287689;GENER;EPAM;25;0;"<a href=https://www.ebi.ac.uk/chembl/assay_report_card/CHEMBL3293520/  target=_blank>CHEMBL3293520</a>";;;;;;;;;-7.94;;;;;;;;;;;;"Dhanya RP, Sheffler DJ, Dahl R, Davis M, Lee PS, Yang L, Nickols HH, Cho HP, Smith LH, D'Souza MS, Conn PJ, Der-Avakian A, Markou A, Cosford ND.: Design and synthesis of systemically active metabotropic glutamate subtype-2 and -3 (mGlu2/3) receptor positive allosteric modulators (PAMs): pharmacological characterization and assessment in a rat model of cocaine dependence. J Med Chem, Volume 57 (10), 2014";ChEMBL
MM472664;MM472664;Cc1ccc(C(=O)O)cc1OCCCCOc1ccc(C(=O)CC2CCCC2)c(O)c1C;XCACYPAKNKDVCI-UHFFFAOYSA-N;440.54;5.71;90643868;;;CHEMBL3287690;GENER;EPAM;25;0;"<a href=https://www.ebi.ac.uk/chembl/assay_report_card/CHEMBL3293520/  target=_blank>CHEMBL3293520</a>";;;;;;;;;-6.73;;;;;;;;;;;;"Dhanya RP, Sheffler DJ, Dahl R, Davis M, Lee PS, Yang L, Nickols HH, Cho HP, Smith LH, D'Souza MS, Conn PJ, Der-Avakian A, Markou A, Cosford ND.: Design and synthesis of systemically active metabotropic glutamate subtype-2 and -3 (mGlu2/3) receptor positive allosteric modulators (PAMs): pharmacological characterization and assessment in a rat model of cocaine dependence. J Med Chem, Volume 57 (10), 2014";ChEMBL
MM472665;MM472665;Cc1cc(C(=O)O)ccc1OCCCCOc1ccc(C(=O)CC(C)C)c(O)c1C;OEWHGJIKBWWFSY-UHFFFAOYSA-N;414.5;5.17;90643869;;;CHEMBL3287691;GENER;EPAM;25;0;"<a href=https://www.ebi.ac.uk/chembl/assay_report_card/CHEMBL3293520/  target=_blank>CHEMBL3293520</a>";;;;;;;;;-4.92;;;;;;;;;;;;"Dhanya RP, Sheffler DJ, Dahl R, Davis M, Lee PS, Yang L, Nickols HH, Cho HP, Smith LH, D'Souza MS, Conn PJ, Der-Avakian A, Markou A, Cosford ND.: Design and synthesis of systemically active metabotropic glutamate subtype-2 and -3 (mGlu2/3) receptor positive allosteric modulators (PAMs): pharmacological characterization and assessment in a rat model of cocaine dependence. J Med Chem, Volume 57 (10), 2014";ChEMBL
"Cyclosporine A";MM00349;CC=CCC(C)C(O)C1C(=O)NC(CC)C(=O)N(C)CC(=O)N(C)C(CC(C)C)C(=O)NC(C(C)C)C(=O)N(C)C(CC(C)C)C(=O)NC(C)C(=O)NC(C)C(=O)N(C)C(CC(C)C)C(=O)N(C)C(CC(C)C)C(=O)N(C)C(C(C)C)C(=O)N1C;PMATZTZNYRCHOR-UHFFFAOYSA-N;1202.64;3.27;5284373;DB00091;;CHEMBL160;GENER;EPAM;25;0;"<a href=https://www.ebi.ac.uk/chembl/assay_report_card/CHEMBL1072428/  target=_blank>CHEMBL1072428</a>";;;;;;;;;-5.46;;;;;;;;;;;;"Ovadia O, Linde Y, Haskell-Luevano C, Dirain ML, Sheynis T, Jelinek R, Gilon C, Hoffman A.: The effect of backbone cyclization on PK/PD properties of bioactive peptide-peptoid hybrids: the melanocortin agonist paradigm. Bioorg Med Chem, Volume 18 (2), 2010";ChEMBL
MM472666;MM472666;Cc1cc(C(=O)O)ccc1OCCCCOc1ccc(C(=O)CC2CCCC2)c(O)c1C;CAJHCTPZQASQJH-UHFFFAOYSA-N;440.54;5.71;90643870;;;CHEMBL3287692;GENER;EPAM;25;0;"<a href=https://www.ebi.ac.uk/chembl/assay_report_card/CHEMBL3293520/  target=_blank>CHEMBL3293520</a>";;;;;;;;;-6.54;;;;;;;;;;;;"Dhanya RP, Sheffler DJ, Dahl R, Davis M, Lee PS, Yang L, Nickols HH, Cho HP, Smith LH, D'Souza MS, Conn PJ, Der-Avakian A, Markou A, Cosford ND.: Design and synthesis of systemically active metabotropic glutamate subtype-2 and -3 (mGlu2/3) receptor positive allosteric modulators (PAMs): pharmacological characterization and assessment in a rat model of cocaine dependence. J Med Chem, Volume 57 (10), 2014";ChEMBL
MM472667;MM472667;Cc1c(OCCCCOc2ccc(C(=O)O)cc2F)ccc(C(=O)CC(C)C)c1O;XGADSIWWVNFIKN-UHFFFAOYSA-N;418.46;5;90643871;;;CHEMBL3287693;GENER;EPAM;25;0;"<a href=https://www.ebi.ac.uk/chembl/assay_report_card/CHEMBL3293520/  target=_blank>CHEMBL3293520</a>";;;;;;;;;-7.18;;;;;;;;;;;;"Dhanya RP, Sheffler DJ, Dahl R, Davis M, Lee PS, Yang L, Nickols HH, Cho HP, Smith LH, D'Souza MS, Conn PJ, Der-Avakian A, Markou A, Cosford ND.: Design and synthesis of systemically active metabotropic glutamate subtype-2 and -3 (mGlu2/3) receptor positive allosteric modulators (PAMs): pharmacological characterization and assessment in a rat model of cocaine dependence. J Med Chem, Volume 57 (10), 2014";ChEMBL
MM472668;MM472668;Cc1c(OCCCCOc2ccc(C(=O)O)cc2F)ccc(C(=O)CC2CCCC2)c1O;AHUPDZVGRGKGHK-UHFFFAOYSA-N;444.5;5.54;90643872;;;CHEMBL3287694;GENER;EPAM;25;0;"<a href=https://www.ebi.ac.uk/chembl/assay_report_card/CHEMBL3293520/  target=_blank>CHEMBL3293520</a>";;;;;;;;;-5.93;;;;;;;;;;;;"Dhanya RP, Sheffler DJ, Dahl R, Davis M, Lee PS, Yang L, Nickols HH, Cho HP, Smith LH, D'Souza MS, Conn PJ, Der-Avakian A, Markou A, Cosford ND.: Design and synthesis of systemically active metabotropic glutamate subtype-2 and -3 (mGlu2/3) receptor positive allosteric modulators (PAMs): pharmacological characterization and assessment in a rat model of cocaine dependence. J Med Chem, Volume 57 (10), 2014";ChEMBL
Imipramine;MM00504;CN(C)CCCN1c2ccccc2CCc2ccccc21;BCGWQEUPMDMJNV-UHFFFAOYSA-N;280.42;3.88;3696;DB00458;IXX;CHEMBL11;BBB;EPAM;25;0;"<a href=https://www.ebi.ac.uk/chembl/assay_report_card/CHEMBL1105051/  target=_blank>CHEMBL1105051</a>";;;;;;;;;-4.84;;;;;;;;;;;;"Arce MP, Rodríguez-Franco MI, González-Muñoz GC, Pérez C, López B, Villarroya M, López MG, García AG, Conde S.: Neuroprotective and cholinergic properties of multifunctional glutamic acid derivatives for the treatment of Alzheimer's disease. J Med Chem, Volume 52 (22), 2009";ChEMBL
MM472669;MM472669;COc1cc(C(=O)O)ccc1OCCCCOc1ccc(C(=O)CC(C)C)c(O)c1C;XJICBRVIAXTUNH-UHFFFAOYSA-N;430.5;4.87;90643858;;;CHEMBL3287695;GENER;EPAM;25;0;"<a href=https://www.ebi.ac.uk/chembl/assay_report_card/CHEMBL3293520/  target=_blank>CHEMBL3293520</a>";;;;;;;;;-6.36;;;;;;;;;;;;"Dhanya RP, Sheffler DJ, Dahl R, Davis M, Lee PS, Yang L, Nickols HH, Cho HP, Smith LH, D'Souza MS, Conn PJ, Der-Avakian A, Markou A, Cosford ND.: Design and synthesis of systemically active metabotropic glutamate subtype-2 and -3 (mGlu2/3) receptor positive allosteric modulators (PAMs): pharmacological characterization and assessment in a rat model of cocaine dependence. J Med Chem, Volume 57 (10), 2014";ChEMBL
MM472670;MM472670;Cc1c(OCCCCOCOc2ccc(C(=O)O)cc2)ccc(C(=O)CC2CCCC2)c1O;WIKSLWGWAGNVMC-UHFFFAOYSA-N;456.54;5.37;90643873;;;CHEMBL3287696;GENER;EPAM;25;0;"<a href=https://www.ebi.ac.uk/chembl/assay_report_card/CHEMBL3293520/  target=_blank>CHEMBL3293520</a>";;;;;;;;;-6.54;;;;;;;;;;;;"Dhanya RP, Sheffler DJ, Dahl R, Davis M, Lee PS, Yang L, Nickols HH, Cho HP, Smith LH, D'Souza MS, Conn PJ, Der-Avakian A, Markou A, Cosford ND.: Design and synthesis of systemically active metabotropic glutamate subtype-2 and -3 (mGlu2/3) receptor positive allosteric modulators (PAMs): pharmacological characterization and assessment in a rat model of cocaine dependence. J Med Chem, Volume 57 (10), 2014";ChEMBL
MM472671;MM472671;Cc1c(OCCCCOc2ccc(C(=O)O)cc2Cl)ccc(C(=O)CC(C)C)c1O;DOUCTXYLBQZORZ-UHFFFAOYSA-N;434.92;5.52;90643874;;;CHEMBL3287697;GENER;EPAM;25;0;"<a href=https://www.ebi.ac.uk/chembl/assay_report_card/CHEMBL3293520/  target=_blank>CHEMBL3293520</a>";;;;;;;;;-7.94;;;;;;;;;;;;"Dhanya RP, Sheffler DJ, Dahl R, Davis M, Lee PS, Yang L, Nickols HH, Cho HP, Smith LH, D'Souza MS, Conn PJ, Der-Avakian A, Markou A, Cosford ND.: Design and synthesis of systemically active metabotropic glutamate subtype-2 and -3 (mGlu2/3) receptor positive allosteric modulators (PAMs): pharmacological characterization and assessment in a rat model of cocaine dependence. J Med Chem, Volume 57 (10), 2014";ChEMBL
MM472672;MM472672;Cc1c(OCCCCOc2ccc(C(=O)O)cc2Cl)ccc(C(=O)CC2CCCC2)c1O;XIWVJTYJVVEJHE-UHFFFAOYSA-N;460.95;6.05;90643875;;;CHEMBL3287698;GENER;EPAM;25;0;"<a href=https://www.ebi.ac.uk/chembl/assay_report_card/CHEMBL3293520/  target=_blank>CHEMBL3293520</a>";;;;;;;;;-8.54;;;;;;;;;;;;"Dhanya RP, Sheffler DJ, Dahl R, Davis M, Lee PS, Yang L, Nickols HH, Cho HP, Smith LH, D'Souza MS, Conn PJ, Der-Avakian A, Markou A, Cosford ND.: Design and synthesis of systemically active metabotropic glutamate subtype-2 and -3 (mGlu2/3) receptor positive allosteric modulators (PAMs): pharmacological characterization and assessment in a rat model of cocaine dependence. J Med Chem, Volume 57 (10), 2014";ChEMBL
MM472673;MM472673;Cc1cc(OCCCCOc2ccc(C(=O)CC(C)C)c(O)c2C)ccc1C(=O)O;SZENSIMCFJFUGR-UHFFFAOYSA-N;414.5;5.17;90643876;;;CHEMBL3287699;GENER;EPAM;25;0;"<a href=https://www.ebi.ac.uk/chembl/assay_report_card/CHEMBL3293520/  target=_blank>CHEMBL3293520</a>";;;;;;;;;-8.24;;;;;;;;;;;;"Dhanya RP, Sheffler DJ, Dahl R, Davis M, Lee PS, Yang L, Nickols HH, Cho HP, Smith LH, D'Souza MS, Conn PJ, Der-Avakian A, Markou A, Cosford ND.: Design and synthesis of systemically active metabotropic glutamate subtype-2 and -3 (mGlu2/3) receptor positive allosteric modulators (PAMs): pharmacological characterization and assessment in a rat model of cocaine dependence. J Med Chem, Volume 57 (10), 2014";ChEMBL
Corticosterone;MM00346;CC12CCC(=O)C=C1CCC1C2C(O)CC2(C)C(C(=O)CO)CCC12;OMFXVFTZEKFJBZ-UHFFFAOYSA-N;346.47;2.67;5753;DB04652;C0R;CHEMBL110739;BBB;EPAM;25;0;"<a href=https://www.ebi.ac.uk/chembl/assay_report_card/CHEMBL3384483/  target=_blank>CHEMBL3384483</a>";;;;;;;;;-5.32;;;;;;;;;;;;"Lan JS, Xie SS, Li SY, Pan LF, Wang XB, Kong LY.: Design, synthesis and evaluation of novel tacrine-(β-carboline) hybrids as multifunctional agents for the treatment of Alzheimer's disease. Bioorg Med Chem, Volume 22 (21), 2014";ChEMBL
MM472674;MM472674;Cc1cc(OCCCCOc2ccc(C(=O)CC3CCCC3)c(O)c2C)ccc1C(=O)O;MFELYFVXYIXMNP-UHFFFAOYSA-N;440.54;5.71;90643877;;;CHEMBL3287700;GENER;EPAM;25;0;"<a href=https://www.ebi.ac.uk/chembl/assay_report_card/CHEMBL3293520/  target=_blank>CHEMBL3293520</a>";;;;;;;;;-6.82;;;;;;;;;;;;"Dhanya RP, Sheffler DJ, Dahl R, Davis M, Lee PS, Yang L, Nickols HH, Cho HP, Smith LH, D'Souza MS, Conn PJ, Der-Avakian A, Markou A, Cosford ND.: Design and synthesis of systemically active metabotropic glutamate subtype-2 and -3 (mGlu2/3) receptor positive allosteric modulators (PAMs): pharmacological characterization and assessment in a rat model of cocaine dependence. J Med Chem, Volume 57 (10), 2014";ChEMBL
MM472675;MM472675;COc1ccc(C(=O)O)cc1OCCCCOc1ccc(C(=O)CC(C)C)c(O)c1C;TYYKQQMKUKSDJB-UHFFFAOYSA-N;430.5;4.87;90643878;;;CHEMBL3287701;GENER;EPAM;25;0;"<a href=https://www.ebi.ac.uk/chembl/assay_report_card/CHEMBL3293520/  target=_blank>CHEMBL3293520</a>";;;;;;;;;-6.12;;;;;;;;;;;;"Dhanya RP, Sheffler DJ, Dahl R, Davis M, Lee PS, Yang L, Nickols HH, Cho HP, Smith LH, D'Souza MS, Conn PJ, Der-Avakian A, Markou A, Cosford ND.: Design and synthesis of systemically active metabotropic glutamate subtype-2 and -3 (mGlu2/3) receptor positive allosteric modulators (PAMs): pharmacological characterization and assessment in a rat model of cocaine dependence. J Med Chem, Volume 57 (10), 2014";ChEMBL
Chembl3288755;MM468041;CCN1C(=O)CN(c2ccc(Cc3cc(C4OC(CO)C(O)C(O)C4O)ccc3Cl)cc2)C1=O;OKQVIDODFGYTAX-UHFFFAOYSA-N;490.94;1.23;53468206;;;CHEMBL3288755;GENER;EPAM;25;0;"<a href=https://www.ebi.ac.uk/chembl/assay_report_card/CHEMBL3292478/  target=_blank>CHEMBL3292478</a>";;;;;;;;;-6.2;;;;;;;;;;;;"Guo C, Hu M, DeOrazio RJ, Usyatinsky A, Fitzpatrick K, Zhang Z, Maeng JH, Kitchen DB, Tom S, Luche M, Khmelnitsky Y, Mhyre AJ, Guzzo PR, Liu S.: The design and synthesis of novel SGLT2 inhibitors: C-glycosides with benzyltriazolopyridinone and phenylhydantoin as the aglycone moieties. Bioorg Med Chem, Volume 22 (13), 2014";ChEMBL
Corticosterone;MM00346;CC12CCC(=O)C=C1CCC1C2C(O)CC2(C)C(C(=O)CO)CCC12;OMFXVFTZEKFJBZ-UHFFFAOYSA-N;346.47;2.67;5753;DB04652;C0R;CHEMBL110739;BBB;EPAM;25;0;"ph = 7.4, <a href=https://www.ebi.ac.uk/chembl/assay_report_card/CHEMBL3767515/  target=_blank>CHEMBL3767515</a>";;;;;;;;;-5.51;;;;;;;;;;;;"Xie SS, Lan JS, Wang X, Wang ZM, Jiang N, Li F, Wu JJ, Wang J, Kong LY.: Design, synthesis and biological evaluation of novel donepezil-coumarin hybrids as multi-target agents for the treatment of Alzheimer's disease. Bioorg Med Chem, Volume 24 (7), 2016";ChEMBL
MM472420;MM472420;Cn1c2c(c(=O)n1-c1ccccc1)C1CCC2(C)C1(C)C;JTCWAXISFRLVOA-ACJLOTCBSA-N;282.39;3.35;57941522;;;CHEMBL3291337;GENER;EPAM;25;0;"ph = 6.5, <a href=https://www.ebi.ac.uk/chembl/assay_report_card/CHEMBL3291635/  target=_blank>CHEMBL3291635</a>";;;;;;;;;-5.01;;;;;;;;;;;;"Gillespie P, Pietranico-Cole S, Myers M, Bilotta JA, Conde-Knape K, Fotouhi N, Goodnow RA, Guertin KR, Hamilton MM, Haynes NE, Liu B, Qi L, Ren Y, Scott NR, So SS, Spence C, Taub R, Thakkar K, Tilley JW, Zwingelstein C.: Discovery of camphor-derived pyrazolones as 11β-hydroxysteroid dehydrogenase type 1 inhibitors. Bioorg Med Chem Lett, Volume 24 (12), 2014";ChEMBL
Corticosterone;MM00346;CC12CCC(=O)C=C1CCC1C2C(O)CC2(C)C(C(=O)CO)CCC12;OMFXVFTZEKFJBZ-UHFFFAOYSA-N;346.47;2.67;5753;DB04652;C0R;CHEMBL110739;BBB;EPAM;25;0;"ph = 7.4, <a href=https://www.ebi.ac.uk/chembl/assay_report_card/CHEMBL3767688/  target=_blank>CHEMBL3767688</a>";;;;;;;;;-5.29;;;;;;;;;;;;"Xie SS, Lan JS, Wang X, Wang ZM, Jiang N, Li F, Wu JJ, Wang J, Kong LY.: Design, synthesis and biological evaluation of novel donepezil-coumarin hybrids as multi-target agents for the treatment of Alzheimer's disease. Bioorg Med Chem, Volume 24 (7), 2016";ChEMBL
MM472425;MM472425;CC12CCC(c3c1n(Cc1ccccc1)n(-c1ccccc1)c3=O)C2(C)C;CHVFRXVZTYHSFP-DVECYGJZSA-N;358.49;4.86;16118895;;;CHEMBL3291340;GENER;EPAM;25;0;"ph = 6.5, <a href=https://www.ebi.ac.uk/chembl/assay_report_card/CHEMBL3291635/  target=_blank>CHEMBL3291635</a>";;;;;;;;;-5.06;;;;;;;;;;;;"Gillespie P, Pietranico-Cole S, Myers M, Bilotta JA, Conde-Knape K, Fotouhi N, Goodnow RA, Guertin KR, Hamilton MM, Haynes NE, Liu B, Qi L, Ren Y, Scott NR, So SS, Spence C, Taub R, Thakkar K, Tilley JW, Zwingelstein C.: Discovery of camphor-derived pyrazolones as 11β-hydroxysteroid dehydrogenase type 1 inhibitors. Bioorg Med Chem Lett, Volume 24 (12), 2014";ChEMBL
MM472422;MM472422;Cn1c2c(c(=O)n1-c1ccccc1C(F)(F)F)C1CCC2(C)C1(C)C;OUANOAMFFAKLPS-XIKOKIGWSA-N;350.38;4.37;57941404;;;CHEMBL3291345;GENER;EPAM;25;0;"ph = 6.5, <a href=https://www.ebi.ac.uk/chembl/assay_report_card/CHEMBL3291635/  target=_blank>CHEMBL3291635</a>";;;;;;;;;-4.96;;;;;;;;;;;;"Gillespie P, Pietranico-Cole S, Myers M, Bilotta JA, Conde-Knape K, Fotouhi N, Goodnow RA, Guertin KR, Hamilton MM, Haynes NE, Liu B, Qi L, Ren Y, Scott NR, So SS, Spence C, Taub R, Thakkar K, Tilley JW, Zwingelstein C.: Discovery of camphor-derived pyrazolones as 11β-hydroxysteroid dehydrogenase type 1 inhibitors. Bioorg Med Chem Lett, Volume 24 (12), 2014";ChEMBL
Corticosterone;MM00346;CC12CCC(=O)C=C1CCC1C2C(O)CC2(C)C(C(=O)CO)CCC12;OMFXVFTZEKFJBZ-UHFFFAOYSA-N;346.47;2.67;5753;DB04652;C0R;CHEMBL110739;BBB;EPAM;25;0;"<a href=https://www.ebi.ac.uk/chembl/assay_report_card/CHEMBL3859151/  target=_blank>CHEMBL3859151</a>";;;;;;;;;-5.29;;;;;;;;;;;;"Sola I, Artigas A, Taylor MC, Pérez-Areales FJ, Viayna E, Clos MV, Pérez B, Wright CW, Kelly JM, Muñoz-Torrero D.: Synthesis and biological evaluation of N-cyanoalkyl-, N-aminoalkyl-, and N-guanidinoalkyl-substituted 4-aminoquinoline derivatives as potent, selective, brain permeable antitrypanosomal agents. Bioorg Med Chem, Volume 24 (21), 2016";ChEMBL
MM472423;MM472423;CC12CCC(c3c1n(Cc1ccccc1)n(-c1ccc(F)cc1F)c3=O)C2(C)C;PHUJLIRGKVQXJQ-OSPHWJPCSA-N;394.47;5.14;16118899;;;CHEMBL3291346;GENER;EPAM;25;0;"ph = 6.5, <a href=https://www.ebi.ac.uk/chembl/assay_report_card/CHEMBL3291635/  target=_blank>CHEMBL3291635</a>";;;;;;;;;-4.95;;;;;;;;;;;;"Gillespie P, Pietranico-Cole S, Myers M, Bilotta JA, Conde-Knape K, Fotouhi N, Goodnow RA, Guertin KR, Hamilton MM, Haynes NE, Liu B, Qi L, Ren Y, Scott NR, So SS, Spence C, Taub R, Thakkar K, Tilley JW, Zwingelstein C.: Discovery of camphor-derived pyrazolones as 11β-hydroxysteroid dehydrogenase type 1 inhibitors. Bioorg Med Chem Lett, Volume 24 (12), 2014";ChEMBL
MM472419;MM472419;Cn1c2c(c(=O)n1-c1cc(Cl)ccc1Cl)C1CCC2(C)C1(C)C;LDMFKWUZUDRFEG-ZMZPIMSZSA-N;351.28;4.66;16116998;;;CHEMBL3291348;GENER;EPAM;25;0;"ph = 6.5, <a href=https://www.ebi.ac.uk/chembl/assay_report_card/CHEMBL3291635/  target=_blank>CHEMBL3291635</a>";;;;;;;;;-5.17;;;;;;;;;;;;"Gillespie P, Pietranico-Cole S, Myers M, Bilotta JA, Conde-Knape K, Fotouhi N, Goodnow RA, Guertin KR, Hamilton MM, Haynes NE, Liu B, Qi L, Ren Y, Scott NR, So SS, Spence C, Taub R, Thakkar K, Tilley JW, Zwingelstein C.: Discovery of camphor-derived pyrazolones as 11β-hydroxysteroid dehydrogenase type 1 inhibitors. Bioorg Med Chem Lett, Volume 24 (12), 2014";ChEMBL
MM472421;MM472421;Cn1c2c(c(=O)n1-c1ccccc1Cl)C1CCC2(C)C1(C)C;LDOLONWICSGMOO-ZMZPIMSZSA-N;316.83;4;16118896;;;CHEMBL3291354;GENER;EPAM;25;0;"ph = 6.5, <a href=https://www.ebi.ac.uk/chembl/assay_report_card/CHEMBL3291635/  target=_blank>CHEMBL3291635</a>";;;;;;;;;-5;;;;;;;;;;;;"Gillespie P, Pietranico-Cole S, Myers M, Bilotta JA, Conde-Knape K, Fotouhi N, Goodnow RA, Guertin KR, Hamilton MM, Haynes NE, Liu B, Qi L, Ren Y, Scott NR, So SS, Spence C, Taub R, Thakkar K, Tilley JW, Zwingelstein C.: Discovery of camphor-derived pyrazolones as 11β-hydroxysteroid dehydrogenase type 1 inhibitors. Bioorg Med Chem Lett, Volume 24 (12), 2014";ChEMBL
MM472424;MM472424;Cn1c2c(c(=O)n1Cc1ccccc1C(F)(F)F)C1CCC2(C)C1(C)C;VYKHHRFZDHVGDQ-KUHUBIRLSA-N;364.41;4.43;16118900;;;CHEMBL3291357;GENER;EPAM;25;0;"ph = 6.5, <a href=https://www.ebi.ac.uk/chembl/assay_report_card/CHEMBL3291635/  target=_blank>CHEMBL3291635</a>";;;;;;;;;-5.09;;;;;;;;;;;;"Gillespie P, Pietranico-Cole S, Myers M, Bilotta JA, Conde-Knape K, Fotouhi N, Goodnow RA, Guertin KR, Hamilton MM, Haynes NE, Liu B, Qi L, Ren Y, Scott NR, So SS, Spence C, Taub R, Thakkar K, Tilley JW, Zwingelstein C.: Discovery of camphor-derived pyrazolones as 11β-hydroxysteroid dehydrogenase type 1 inhibitors. Bioorg Med Chem Lett, Volume 24 (12), 2014";ChEMBL
MM474488;MM474488;COc1cccc2[nH]c(=O)nc(NCC(C)(C)c3ccccc3)c12;WAYXJKGOWYBZSE-UHFFFAOYSA-N;323.4;3.73;16102139;;;CHEMBL3298228;GENER;EPAM;25;0;"<a href=https://www.ebi.ac.uk/chembl/assay_report_card/CHEMBL3364873/  target=_blank>CHEMBL3364873</a>";;;;;;;;;-4.09;;;;;;;;;;;;"Johnson JA, Xu N, Jeon Y, Finlay HJ, Kover A, Conder ML, Sun H, Li D, Levesque P, Hsueh MM, Harper TW, Wexler RR, Lloyd J.: Design, synthesis and evaluation of phenethylaminoheterocycles as K(v)1.5 inhibitors. Bioorg Med Chem Lett, Volume 24 (14), 2014";ChEMBL
MM474486;MM474486;COc1cccc2oc(=O)nc(NCC(C)(C)c3ccccc3)c12;XYJOKKCUWQUUGY-UHFFFAOYSA-N;324.38;3.59;16051053;;;CHEMBL3298229;GENER;EPAM;25;0;"<a href=https://www.ebi.ac.uk/chembl/assay_report_card/CHEMBL3364873/  target=_blank>CHEMBL3364873</a>";;;;;;;;;-4.16;;;;;;;;;;;;"Johnson JA, Xu N, Jeon Y, Finlay HJ, Kover A, Conder ML, Sun H, Li D, Levesque P, Hsueh MM, Harper TW, Wexler RR, Lloyd J.: Design, synthesis and evaluation of phenethylaminoheterocycles as K(v)1.5 inhibitors. Bioorg Med Chem Lett, Volume 24 (14), 2014";ChEMBL
Corticosterone;MM00346;CC12CCC(=O)C=C1CCC1C2C(O)CC2(C)C(C(=O)CO)CCC12;OMFXVFTZEKFJBZ-UHFFFAOYSA-N;346.47;2.67;5753;DB04652;C0R;CHEMBL110739;BBB;EPAM;25;0;"<a href=https://www.ebi.ac.uk/chembl/assay_report_card/CHEMBL4224295/  target=_blank>CHEMBL4224295</a>";;;;;;;;;-5.29;;;;;;;;;;;;"Yang X, Cai P, Liu Q, Wu J, Yin Y, Wang X, Kong L.: Novel 8-hydroxyquinoline derivatives targeting β-amyloid aggregation, metal chelation and oxidative stress against Alzheimer's disease. Bioorg Med Chem, Volume 26 (12), 2018";ChEMBL
MM474485;MM474485;CCNC(=O)OC1CCC(CNc2n[nH]c3cccc(OC)c23)(c2ccccc2)CC1;WZZPYWCRKLLOTM-XZMJRDFISA-N;422.53;4.61;90645436;;;CHEMBL3298232;GENER;EPAM;25;0;"<a href=https://www.ebi.ac.uk/chembl/assay_report_card/CHEMBL3364873/  target=_blank>CHEMBL3364873</a>";;;;;;;;;-4.17;;;;;;;;;;;;"Johnson JA, Xu N, Jeon Y, Finlay HJ, Kover A, Conder ML, Sun H, Li D, Levesque P, Hsueh MM, Harper TW, Wexler RR, Lloyd J.: Design, synthesis and evaluation of phenethylaminoheterocycles as K(v)1.5 inhibitors. Bioorg Med Chem Lett, Volume 24 (14), 2014";ChEMBL
Corticosterone;MM00346;CC12CCC(=O)C=C1CCC1C2C(O)CC2(C)C(C(=O)CO)CCC12;OMFXVFTZEKFJBZ-UHFFFAOYSA-N;346.47;2.67;5753;DB04652;C0R;CHEMBL110739;BBB;EPAM;25;0;"<a href=https://www.ebi.ac.uk/chembl/assay_report_card/CHEMBL4224296/  target=_blank>CHEMBL4224296</a>";;;;;;;;;-5.32;;;;;;;;;;;;"Yang X, Cai P, Liu Q, Wu J, Yin Y, Wang X, Kong L.: Novel 8-hydroxyquinoline derivatives targeting β-amyloid aggregation, metal chelation and oxidative stress against Alzheimer's disease. Bioorg Med Chem, Volume 26 (12), 2018";ChEMBL
MM474122;MM474122;CC(C)(C)CNC(=O)CC1CNC(=O)c2cc(-c3ccsc3)cn21;PNMQDIXULZYDDT-UHFFFAOYSA-N;345.47;3.05;90645194;;;CHEMBL3298400;GENER;EPAM;25;0;"<a href=https://www.ebi.ac.uk/chembl/assay_report_card/CHEMBL3300847/  target=_blank>CHEMBL3300847</a>";;;;;;;;;-4.32;;;;;;;;;;;;"Casuscelli F, Ardini E, Avanzi N, Casale E, Cervi G, D'Anello M, Donati D, Faiardi D, Ferguson RD, Fogliatto G, Galvani A, Marsiglio A, Mirizzi DG, Montemartini M, Orrenius C, Papeo G, Piutti C, Salom B, Felder ER.: Discovery and optimization of pyrrolo[1,2-a]pyrazinones leads to novel and selective inhibitors of PIM kinases. Bioorg Med Chem, Volume 21 (23), 2013";ChEMBL
MM472069;MM472069;COC1C=COC2(C)Oc3c(C)c(O)c4c(O)c(c5c(nc6cc(C)ccn65)c4c3C2=O)NC(=O)C(C)=CC=CC(C)C(O)C(C)C(O)C(C)C(OC(C)=O)C1C;;785.89;6.16;6436173;;;CHEMBL1617;GENER;EPAM;25;0;"ph = 10, <a href=https://www.ebi.ac.uk/chembl/assay_report_card/CHEMBL3386379/  target=_blank>CHEMBL3386379</a>";;;;;;;;;-7.92;;;;;;;;;;;;"Maccari G, Sanfilippo S, De Luca F, Deodato D, Casian A, Dasso Lang MC, Zamperini C, Dreassi E, Rossolini GM, Docquier JD, Botta M.: Synthesis of linear and cyclic guazatine derivatives endowed with antibacterial activity. Bioorg Med Chem Lett, Volume 24 (23), 2014";ChEMBL
Corticosterone;MM00346;CC12CCC(=O)C=C1CCC1C2C(O)CC2(C)C(C(=O)CO)CCC12;OMFXVFTZEKFJBZ-UHFFFAOYSA-N;346.47;2.67;5753;DB04652;C0R;CHEMBL110739;BBB;EPAM;25;0;"<a href=https://www.ebi.ac.uk/chembl/assay_report_card/CHEMBL3383778/  target=_blank>CHEMBL3383778</a>";;;;;;;;;-5.17;;;;;;;;;;;;"Sola I, Artigas A, Taylor MC, Gbedema SY, Pérez B, Clos MV, Wright CW, Kelly JM, Muñoz-Torrero D.: Synthesis and antiprotozoal activity of oligomethylene- and  p-phenylene-bis(methylene)-linked bis(+)-huprines. Bioorg Med Chem Lett, Volume 24 (23), 2014";ChEMBL
MM472695;MM472695;Cc1sc(-c2ncc(C#N)cc2O)nc1CC(=O)NCCc1ccccn1;WDYFUIZAAIQAPA-UHFFFAOYSA-N;379.45;2.39;136074313;;;CHEMBL3309273;GENER;EPAM;25;0;"<a href=https://www.ebi.ac.uk/chembl/assay_report_card/CHEMBL3362039/  target=_blank>CHEMBL3362039</a>";;;;;;;;;-5.8;;;;;;;;;;;;"Hong YR, Kim HT, Ro S, Cho JM, Lee SH, Kim IS, Jung YH.: Discovery of novel 2-[2-(3-hydroxy-pyridin-2-yl)-thiazol-4-yl]-acetamide derivatives as HIF prolyl 4-hydroxylase inhibitors; SAR, synthesis and modeling evaluation. Bioorg Med Chem Lett, Volume 24 (14), 2014";ChEMBL
MM472069;MM472069;COC1C=COC2(C)Oc3c(C)c(O)c4c(O)c(c5c(nc6cc(C)ccn65)c4c3C2=O)NC(=O)C(C)=CC=CC(C)C(O)C(C)C(O)C(C)C(OC(C)=O)C1C;;785.89;6.16;6436173;;;CHEMBL1617;GENER;EPAM;25;0;"ph = 7.4, <a href=https://www.ebi.ac.uk/chembl/assay_report_card/CHEMBL3386378/  target=_blank>CHEMBL3386378</a>";;;;;;;;;-8.22;;;;;;;;;;;;"Maccari G, Sanfilippo S, De Luca F, Deodato D, Casian A, Dasso Lang MC, Zamperini C, Dreassi E, Rossolini GM, Docquier JD, Botta M.: Synthesis of linear and cyclic guazatine derivatives endowed with antibacterial activity. Bioorg Med Chem Lett, Volume 24 (23), 2014";ChEMBL
Corticosterone;MM00346;CC12CCC(=O)C=C1CCC1C2C(O)CC2(C)C(C(=O)CO)CCC12;OMFXVFTZEKFJBZ-UHFFFAOYSA-N;346.47;2.67;5753;DB04652;C0R;CHEMBL110739;BBB;EPAM;25;0;"<a href=https://www.ebi.ac.uk/chembl/assay_report_card/CHEMBL3396583/  target=_blank>CHEMBL3396583</a>";;;;;;;;;-5.96;;;;;;;;;;;;"Huang M, Xie SS, Jiang N, Lan JS, Kong LY, Wang XB.: Multifunctional coumarin derivatives: monoamine oxidase B (MAO-B) inhibition, anti-β-amyloid (Aβ) aggregation and metal chelation properties against Alzheimer's disease. Bioorg Med Chem Lett, Volume 25 (3), 2015";ChEMBL
MM472704;MM472704;N#Cc1cnc(-c2nc(CC(=O)NCc3ccccc3)cs2)c(O)c1;FDUAZMVEJVFVCS-UHFFFAOYSA-N;350.4;2.64;136074318;;;CHEMBL3310392;GENER;EPAM;25;0;"<a href=https://www.ebi.ac.uk/chembl/assay_report_card/CHEMBL3362039/  target=_blank>CHEMBL3362039</a>";;;;;;;;;-5.6;;;;;;;;;;;;"Hong YR, Kim HT, Ro S, Cho JM, Lee SH, Kim IS, Jung YH.: Discovery of novel 2-[2-(3-hydroxy-pyridin-2-yl)-thiazol-4-yl]-acetamide derivatives as HIF prolyl 4-hydroxylase inhibitors; SAR, synthesis and modeling evaluation. Bioorg Med Chem Lett, Volume 24 (14), 2014";ChEMBL
MM472069;MM472069;COC1C=COC2(C)Oc3c(C)c(O)c4c(O)c(c5c(nc6cc(C)ccn65)c4c3C2=O)NC(=O)C(C)=CC=CC(C)C(O)C(C)C(O)C(C)C(OC(C)=O)C1C;;785.89;6.16;6436173;;;CHEMBL1617;GENER;EPAM;25;0;"<a href=https://www.ebi.ac.uk/chembl/assay_report_card/CHEMBL4310211/  target=_blank>CHEMBL4310211</a>";;;;;;;;;-7.22;;;;;;;;;;;;"Pasero C, D'Agostino I, De Luca F, Zamperini C, Deodato D, Truglio GI, Sannio F, Del Prete R, Ferraro T, Visaggio D, Mancini A, Guglielmi MB, Visca P, Docquier JD, Botta M.: Alkyl-guanidine Compounds as Potent Broad-Spectrum Antibacterial Agents: Chemical Library Extension and Biological Characterization. J Med Chem, Volume 61 (20), 2018";ChEMBL
MM472703;MM472703;N#Cc1cnc(-c2nc(CC(=O)NCC(=O)O)cs2)c(O)c1;DLXXPMPEDWANKC-UHFFFAOYSA-N;318.31;0.53;135871172;;;CHEMBL3310393;GENER;EPAM;25;0;"<a href=https://www.ebi.ac.uk/chembl/assay_report_card/CHEMBL3362039/  target=_blank>CHEMBL3362039</a>";;;;;;;;;-10;;;;;;;;;;;;"Hong YR, Kim HT, Ro S, Cho JM, Lee SH, Kim IS, Jung YH.: Discovery of novel 2-[2-(3-hydroxy-pyridin-2-yl)-thiazol-4-yl]-acetamide derivatives as HIF prolyl 4-hydroxylase inhibitors; SAR, synthesis and modeling evaluation. Bioorg Med Chem Lett, Volume 24 (14), 2014";ChEMBL
Corticosterone;MM00346;CC12CCC(=O)C=C1CCC1C2C(O)CC2(C)C(C(=O)CO)CCC12;OMFXVFTZEKFJBZ-UHFFFAOYSA-N;346.47;2.67;5753;DB04652;C0R;CHEMBL110739;BBB;EPAM;25;0;"<a href=https://www.ebi.ac.uk/chembl/assay_report_card/CHEMBL3364959/  target=_blank>CHEMBL3364959</a>";;;;;;;;;-5.17;;;;;;;;;;;;"Di Pietro O, Pérez-Areales FJ, Juárez-Jiménez J, Espargaró A, Clos MV, Pérez B, Lavilla R, Sabaté R, Luque FJ, Muñoz-Torrero D.: Tetrahydrobenzo[h][1,6]naphthyridine-6-chlorotacrine hybrids as a new family of anti-Alzheimer agents targeting β-amyloid, tau, and cholinesterase pathologies. Eur J Med Chem, Volume 84, 2014";ChEMBL
MM472702;MM472702;CC(C)(NC(=O)Cc1csc(-c2ncc(C#N)cc2O)n1)C(=O)O;BUUJRGRVHGEKRK-UHFFFAOYSA-N;346.37;1.3;136074317;;;CHEMBL3310394;GENER;EPAM;25;0;"<a href=https://www.ebi.ac.uk/chembl/assay_report_card/CHEMBL3362039/  target=_blank>CHEMBL3362039</a>";;;;;;;;;-5.7;;;;;;;;;;;;"Hong YR, Kim HT, Ro S, Cho JM, Lee SH, Kim IS, Jung YH.: Discovery of novel 2-[2-(3-hydroxy-pyridin-2-yl)-thiazol-4-yl]-acetamide derivatives as HIF prolyl 4-hydroxylase inhibitors; SAR, synthesis and modeling evaluation. Bioorg Med Chem Lett, Volume 24 (14), 2014";ChEMBL
MM472701;MM472701;N#Cc1cnc(-c2nc(CC(=O)N[C@H](C(=O)O)c3ccccc3)cs2)c(O)c1;KPGRSPXHOOAVBE-INIZCTEOSA-N;394.41;2.27;;;;;GENER;EPAM;25;0;"<a href=https://www.ebi.ac.uk/chembl/assay_report_card/CHEMBL3362039/  target=_blank>CHEMBL3362039</a>";;;;;;;;;-10;;;;;;;;;;;;"Hong YR, Kim HT, Ro S, Cho JM, Lee SH, Kim IS, Jung YH.: Discovery of novel 2-[2-(3-hydroxy-pyridin-2-yl)-thiazol-4-yl]-acetamide derivatives as HIF prolyl 4-hydroxylase inhibitors; SAR, synthesis and modeling evaluation. Bioorg Med Chem Lett, Volume 24 (14), 2014";ChEMBL
Corticosterone;MM00346;CC12CCC(=O)C=C1CCC1C2C(O)CC2(C)C(C(=O)CO)CCC12;OMFXVFTZEKFJBZ-UHFFFAOYSA-N;346.47;2.67;5753;DB04652;C0R;CHEMBL110739;BBB;EPAM;25;0;"<a href=https://www.ebi.ac.uk/chembl/assay_report_card/CHEMBL3418564/  target=_blank>CHEMBL3418564</a>";;;;;;;;;-5.29;;;;;;;;;;;;"Xie SS, Wang X, Jiang N, Yu W, Wang KD, Lan JS, Li ZR, Kong LY.: Multi-target tacrine-coumarin hybrids: cholinesterase and monoamine oxidase B inhibition properties against Alzheimer's disease. Eur J Med Chem, Volume 95, 2015";ChEMBL
Corticosterone;MM00346;CC12CCC(=O)C=C1CCC1C2C(O)CC2(C)C(C(=O)CO)CCC12;OMFXVFTZEKFJBZ-UHFFFAOYSA-N;346.47;2.67;5753;DB04652;C0R;CHEMBL110739;BBB;EPAM;25;0;"<a href=https://www.ebi.ac.uk/chembl/assay_report_card/CHEMBL3743403/  target=_blank>CHEMBL3743403</a>";;;;;;;;;-5.29;;;;;;;;;;;;"Di Pietro O, Vicente-García E, Taylor MC, Berenguer D, Viayna E, Lanzoni A, Sola I, Sayago H, Riera C, Fisa R, Clos MV, Pérez B, Kelly JM, Lavilla R, Muñoz-Torrero D.: Multicomponent reaction-based synthesis and biological evaluation of tricyclic heterofused quinolines with multi-trypanosomatid activity. Eur J Med Chem, Volume 105, 2015";ChEMBL
MM472700;MM472700;N#Cc1cnc(-c2nc(CC(=O)NC(C(=O)O)c3ccccc3)cs2)c(O)c1;KPGRSPXHOOAVBE-MRXNPFEDSA-N;394.41;2.27;136986966;;;CHEMBL3310396;GENER;EPAM;25;0;"<a href=https://www.ebi.ac.uk/chembl/assay_report_card/CHEMBL3362039/  target=_blank>CHEMBL3362039</a>";;;;;;;;;-10;;;;;;;;;;;;"Hong YR, Kim HT, Ro S, Cho JM, Lee SH, Kim IS, Jung YH.: Discovery of novel 2-[2-(3-hydroxy-pyridin-2-yl)-thiazol-4-yl]-acetamide derivatives as HIF prolyl 4-hydroxylase inhibitors; SAR, synthesis and modeling evaluation. Bioorg Med Chem Lett, Volume 24 (14), 2014";ChEMBL
MM472699;MM472699;N#Cc1cnc(-c2nc(CC(=O)NC(CO)c3ccccc3)cs2)c(O)c1;OPVZOSZOXQWVSN-HNNXBMFYSA-N;380.43;2.17;135871182;;;CHEMBL3310397;GENER;EPAM;25;0;"<a href=https://www.ebi.ac.uk/chembl/assay_report_card/CHEMBL3362039/  target=_blank>CHEMBL3362039</a>";;;;;;;;;-5.1;;;;;;;;;;;;"Hong YR, Kim HT, Ro S, Cho JM, Lee SH, Kim IS, Jung YH.: Discovery of novel 2-[2-(3-hydroxy-pyridin-2-yl)-thiazol-4-yl]-acetamide derivatives as HIF prolyl 4-hydroxylase inhibitors; SAR, synthesis and modeling evaluation. Bioorg Med Chem Lett, Volume 24 (14), 2014";ChEMBL
Corticosterone;MM00346;CC12CCC(=O)C=C1CCC1C2C(O)CC2(C)C(C(=O)CO)CCC12;OMFXVFTZEKFJBZ-UHFFFAOYSA-N;346.47;2.67;5753;DB04652;C0R;CHEMBL110739;BBB;EPAM;25;0;"<a href=https://www.ebi.ac.uk/chembl/assay_report_card/CHEMBL3870528/  target=_blank>CHEMBL3870528</a>";;;;;;;;;-5.31;;;;;;;;;;;;"Wang ZM, Cai P, Liu QH, Xu DQ, Yang XL, Wu JJ, Kong LY, Wang XB.: Rational modification of donepezil as multifunctional acetylcholinesterase inhibitors for the treatment of Alzheimer's disease. Eur J Med Chem, Volume 123, 2016";ChEMBL
MM472698;MM472698;N#Cc1cnc(-c2nc(CC(=O)N[C@H](CO)c3ccccc3)cs2)c(O)c1;OPVZOSZOXQWVSN-OAHLLOKOSA-N;380.43;2.17;;;;;GENER;EPAM;25;0;"<a href=https://www.ebi.ac.uk/chembl/assay_report_card/CHEMBL3362039/  target=_blank>CHEMBL3362039</a>";;;;;;;;;-5;;;;;;;;;;;;"Hong YR, Kim HT, Ro S, Cho JM, Lee SH, Kim IS, Jung YH.: Discovery of novel 2-[2-(3-hydroxy-pyridin-2-yl)-thiazol-4-yl]-acetamide derivatives as HIF prolyl 4-hydroxylase inhibitors; SAR, synthesis and modeling evaluation. Bioorg Med Chem Lett, Volume 24 (14), 2014";ChEMBL
Corticosterone;MM00346;CC12CCC(=O)C=C1CCC1C2C(O)CC2(C)C(C(=O)CO)CCC12;OMFXVFTZEKFJBZ-UHFFFAOYSA-N;346.47;2.67;5753;DB04652;C0R;CHEMBL110739;BBB;EPAM;25;0;"<a href=https://www.ebi.ac.uk/chembl/assay_report_card/CHEMBL3870551/  target=_blank>CHEMBL3870551</a>";;;;;;;;;-5.29;;;;;;;;;;;;"Wang ZM, Cai P, Liu QH, Xu DQ, Yang XL, Wu JJ, Kong LY, Wang XB.: Rational modification of donepezil as multifunctional acetylcholinesterase inhibitors for the treatment of Alzheimer's disease. Eur J Med Chem, Volume 123, 2016";ChEMBL
MM472697;MM472697;N#Cc1cnc(-c2nc(CC(=O)NCCc3ccccc3)cs2)c(O)c1;JFDMCXCLTIPJIW-UHFFFAOYSA-N;364.43;2.68;136074315;;;CHEMBL3310399;GENER;EPAM;25;0;"<a href=https://www.ebi.ac.uk/chembl/assay_report_card/CHEMBL3362039/  target=_blank>CHEMBL3362039</a>";;;;;;;;;-5.4;;;;;;;;;;;;"Hong YR, Kim HT, Ro S, Cho JM, Lee SH, Kim IS, Jung YH.: Discovery of novel 2-[2-(3-hydroxy-pyridin-2-yl)-thiazol-4-yl]-acetamide derivatives as HIF prolyl 4-hydroxylase inhibitors; SAR, synthesis and modeling evaluation. Bioorg Med Chem Lett, Volume 24 (14), 2014";ChEMBL
MM472696;MM472696;N#Cc1cnc(-c2nc(CC(=O)NCCc3ccccn3)cs2)c(O)c1;NPGMDIQJGIQEFW-UHFFFAOYSA-N;365.42;2.08;136074314;;;CHEMBL3310400;GENER;EPAM;25;0;"<a href=https://www.ebi.ac.uk/chembl/assay_report_card/CHEMBL3362039/  target=_blank>CHEMBL3362039</a>";;;;;;;;;-5.8;;;;;;;;;;;;"Hong YR, Kim HT, Ro S, Cho JM, Lee SH, Kim IS, Jung YH.: Discovery of novel 2-[2-(3-hydroxy-pyridin-2-yl)-thiazol-4-yl]-acetamide derivatives as HIF prolyl 4-hydroxylase inhibitors; SAR, synthesis and modeling evaluation. Bioorg Med Chem Lett, Volume 24 (14), 2014";ChEMBL
MM472694;MM472694;N#Cc1cnc(-c2nc(CC(=O)NCCc3ccccn3)c(-c3ccccc3)s2)c(O)c1;AZNDVNFEFCMGHP-UHFFFAOYSA-N;441.52;3.75;135871222;;;CHEMBL3310401;GENER;EPAM;25;0;"<a href=https://www.ebi.ac.uk/chembl/assay_report_card/CHEMBL3362039/  target=_blank>CHEMBL3362039</a>";;;;;;;;;-4.3;;;;;;;;;;;;"Hong YR, Kim HT, Ro S, Cho JM, Lee SH, Kim IS, Jung YH.: Discovery of novel 2-[2-(3-hydroxy-pyridin-2-yl)-thiazol-4-yl]-acetamide derivatives as HIF prolyl 4-hydroxylase inhibitors; SAR, synthesis and modeling evaluation. Bioorg Med Chem Lett, Volume 24 (14), 2014";ChEMBL
MM472693;MM472693;Cc1c(C#N)cnc(-c2nc(CC(=O)NCCc3ccccn3)cs2)c1O;MNKLNTMHRWFUOY-UHFFFAOYSA-N;379.45;2.39;;;;;GENER;EPAM;25;0;"<a href=https://www.ebi.ac.uk/chembl/assay_report_card/CHEMBL3362039/  target=_blank>CHEMBL3362039</a>";;;;;;;;;-10;;;;;;;;;;;;"Hong YR, Kim HT, Ro S, Cho JM, Lee SH, Kim IS, Jung YH.: Discovery of novel 2-[2-(3-hydroxy-pyridin-2-yl)-thiazol-4-yl]-acetamide derivatives as HIF prolyl 4-hydroxylase inhibitors; SAR, synthesis and modeling evaluation. Bioorg Med Chem Lett, Volume 24 (14), 2014";ChEMBL
MM472692;MM472692;Cc1sc(-c2ncc(C#N)c(C)c2O)nc1CC(=O)NCCc1ccccn1;CXHVPJXEVMGIEH-UHFFFAOYSA-N;393.47;2.7;135871221;;;CHEMBL3310403;GENER;EPAM;25;0;"<a href=https://www.ebi.ac.uk/chembl/assay_report_card/CHEMBL3362039/  target=_blank>CHEMBL3362039</a>";;;;;;;;;-3;;;;;;;;;;;;"Hong YR, Kim HT, Ro S, Cho JM, Lee SH, Kim IS, Jung YH.: Discovery of novel 2-[2-(3-hydroxy-pyridin-2-yl)-thiazol-4-yl]-acetamide derivatives as HIF prolyl 4-hydroxylase inhibitors; SAR, synthesis and modeling evaluation. Bioorg Med Chem Lett, Volume 24 (14), 2014";ChEMBL
MM472691;MM472691;Cc1c(C#N)cnc(-c2nc(CC(=O)NCCc3ccccn3)c(-c3ccccc3)s2)c1O;ICUKKSACAFOILF-UHFFFAOYSA-N;455.54;4.05;136074312;;;CHEMBL3310404;GENER;EPAM;25;0;"<a href=https://www.ebi.ac.uk/chembl/assay_report_card/CHEMBL3362039/  target=_blank>CHEMBL3362039</a>";;;;;;;;;-3;;;;;;;;;;;;"Hong YR, Kim HT, Ro S, Cho JM, Lee SH, Kim IS, Jung YH.: Discovery of novel 2-[2-(3-hydroxy-pyridin-2-yl)-thiazol-4-yl]-acetamide derivatives as HIF prolyl 4-hydroxylase inhibitors; SAR, synthesis and modeling evaluation. Bioorg Med Chem Lett, Volume 24 (14), 2014";ChEMBL
Corticosterone;MM00346;CC12CCC(=O)C=C1CCC1C2C(O)CC2(C)C(C(=O)CO)CCC12;OMFXVFTZEKFJBZ-UHFFFAOYSA-N;346.47;2.67;5753;DB04652;C0R;CHEMBL110739;BBB;EPAM;25;0;"<a href=https://www.ebi.ac.uk/chembl/assay_report_card/CHEMBL4192765/  target=_blank>CHEMBL4192765</a>";;;;;;;;;-5.31;;;;;;;;;;;;"Yang HL, Cai P, Liu QH, Yang XL, Li F, Wang J, Wu JJ, Wang XB, Kong LY.: Design, synthesis and evaluation of coumarin-pargyline hybrids as novel dual inhibitors of monoamine oxidases and amyloid-β aggregation for the treatment of Alzheimer's disease. Eur J Med Chem, Volume 138, 2017";ChEMBL
MM472690;MM472690;CCNC(=O)Cc1nc(-c2ncc(C#N)c(C)c2O)sc1C;FLQPXJWSHIMMJF-UHFFFAOYSA-N;316.39;2.08;135871238;;;CHEMBL3310405;GENER;EPAM;25;0;"<a href=https://www.ebi.ac.uk/chembl/assay_report_card/CHEMBL3362039/  target=_blank>CHEMBL3362039</a>";;;;;;;;;-4.5;;;;;;;;;;;;"Hong YR, Kim HT, Ro S, Cho JM, Lee SH, Kim IS, Jung YH.: Discovery of novel 2-[2-(3-hydroxy-pyridin-2-yl)-thiazol-4-yl]-acetamide derivatives as HIF prolyl 4-hydroxylase inhibitors; SAR, synthesis and modeling evaluation. Bioorg Med Chem Lett, Volume 24 (14), 2014";ChEMBL
Corticosterone;MM00346;CC12CCC(=O)C=C1CCC1C2C(O)CC2(C)C(C(=O)CO)CCC12;OMFXVFTZEKFJBZ-UHFFFAOYSA-N;346.47;2.67;5753;DB04652;C0R;CHEMBL110739;BBB;EPAM;25;0;"<a href=https://www.ebi.ac.uk/chembl/assay_report_card/CHEMBL4192766/  target=_blank>CHEMBL4192766</a>";;;;;;;;;-5.29;;;;;;;;;;;;"Yang HL, Cai P, Liu QH, Yang XL, Li F, Wang J, Wu JJ, Wang XB, Kong LY.: Design, synthesis and evaluation of coumarin-pargyline hybrids as novel dual inhibitors of monoamine oxidases and amyloid-β aggregation for the treatment of Alzheimer's disease. Eur J Med Chem, Volume 138, 2017";ChEMBL
MM472689;MM472689;N#Cc1cnc(-c2nc(CC(=O)N3CCCC3)cs2)c(O)c1;BYDZAAIFYAJBBM-UHFFFAOYSA-N;314.37;1.95;135871283;;;CHEMBL3310406;GENER;EPAM;25;0;"<a href=https://www.ebi.ac.uk/chembl/assay_report_card/CHEMBL3362039/  target=_blank>CHEMBL3362039</a>";;;;;;;;;-5.7;;;;;;;;;;;;"Hong YR, Kim HT, Ro S, Cho JM, Lee SH, Kim IS, Jung YH.: Discovery of novel 2-[2-(3-hydroxy-pyridin-2-yl)-thiazol-4-yl]-acetamide derivatives as HIF prolyl 4-hydroxylase inhibitors; SAR, synthesis and modeling evaluation. Bioorg Med Chem Lett, Volume 24 (14), 2014";ChEMBL
MM472688;MM472688;CCN(CC)CCNC(=O)Cc1csc(-c2ncc(C#N)c(C)c2O)n1;JCZWZYBECXGVDR-UHFFFAOYSA-N;373.48;2.09;135871220;;;CHEMBL3310407;GENER;EPAM;25;0;"<a href=https://www.ebi.ac.uk/chembl/assay_report_card/CHEMBL3362039/  target=_blank>CHEMBL3362039</a>";;;;;;;;;-10;;;;;;;;;;;;"Hong YR, Kim HT, Ro S, Cho JM, Lee SH, Kim IS, Jung YH.: Discovery of novel 2-[2-(3-hydroxy-pyridin-2-yl)-thiazol-4-yl]-acetamide derivatives as HIF prolyl 4-hydroxylase inhibitors; SAR, synthesis and modeling evaluation. Bioorg Med Chem Lett, Volume 24 (14), 2014";ChEMBL
MM472687;MM472687;CCN(CC)CCNC(=O)Cc1nc(-c2ncc(C#N)c(C)c2O)sc1C;WKXQBXVKTSSLJU-UHFFFAOYSA-N;387.51;2.4;135871235;;;CHEMBL3310408;GENER;EPAM;25;0;"<a href=https://www.ebi.ac.uk/chembl/assay_report_card/CHEMBL3362039/  target=_blank>CHEMBL3362039</a>";;;;;;;;;-10;;;;;;;;;;;;"Hong YR, Kim HT, Ro S, Cho JM, Lee SH, Kim IS, Jung YH.: Discovery of novel 2-[2-(3-hydroxy-pyridin-2-yl)-thiazol-4-yl]-acetamide derivatives as HIF prolyl 4-hydroxylase inhibitors; SAR, synthesis and modeling evaluation. Bioorg Med Chem Lett, Volume 24 (14), 2014";ChEMBL
MM471930;MM471930;c1ccc(CNc2nc(NCc3ccccc3)c3ccccc3n2)cc1;;340.43;4.85;676352;;;CHEMBL1624459;GENER;EPAM;25;0;"ph = 4, <a href=https://www.ebi.ac.uk/chembl/assay_report_card/CHEMBL3270246/  target=_blank>CHEMBL3270246</a>";;;;;;;;;-3.51;;;;;;;;;;;;"Van Horn KS, Burda WN, Fleeman R, Shaw LN, Manetsch R.: Antibacterial activity of a series of N2,N4-disubstituted quinazoline-2,4-diamines. J Med Chem, Volume 57 (7), 2014";ChEMBL
MM473218;MM473218;Cn1cc(-c2ccc(Oc3nccnc3-c3ccncc3)cc2)c2ncccc21;SWHQBIRUZBZCMN-UHFFFAOYSA-N;379.42;4.88;;;;;GENER;EPAM;25;0;"<a href=https://www.ebi.ac.uk/chembl/assay_report_card/CHEMBL3368997/  target=_blank>CHEMBL3368997</a>";;;;;;;;;-5.53;;;;;;;;;;;;"Das S, Shelke DE, Harde RL, Avhad VB, Khairatkar-Joshi N, Gullapalli S, Gupta PK, Gandhi MN, Bhateja DK, Bajpai M, Joshi AA, Marathe MY, Gudi GS, Jadhav SB, Mahat MY, Thomas A.: Design, synthesis and pharmacological evaluation of novel polycyclic heteroarene ethers as PDE10A inhibitors: part II. Bioorg Med Chem Lett, Volume 24 (15), 2014";ChEMBL
MM471930;MM471930;c1ccc(CNc2nc(NCc3ccccc3)c3ccccc3n2)cc1;;340.43;4.85;676352;;;CHEMBL1624459;GENER;EPAM;25;0;"ph = 7.4, <a href=https://www.ebi.ac.uk/chembl/assay_report_card/CHEMBL3270245/  target=_blank>CHEMBL3270245</a>";;;;;;;;;-3.42;;;;;;;;;;;;"Van Horn KS, Burda WN, Fleeman R, Shaw LN, Manetsch R.: Antibacterial activity of a series of N2,N4-disubstituted quinazoline-2,4-diamines. J Med Chem, Volume 57 (7), 2014";ChEMBL
MM472715;MM472715;CCC(C)C(NC(=O)C(c1cc(Cl)cc(Cl)c1)N(C)C)C(=O)NCc1ccnc(C#N)n1;RSGATHUEAGHBQV-NXAXYOPQSA-N;477.4;3.11;118711048;;;CHEMBL3325450;GENER;EPAM;25;0;"<a href=https://www.ebi.ac.uk/chembl/assay_report_card/CHEMBL3368150/  target=_blank>CHEMBL3368150</a>";;;;;;;;;-3.8;;;;;;;;;;;;"Mac Sweeney A, Grosche P, Ellis D, Combrink K, Erbel P, Hughes N, Sirockin F, Melkko S, Bernardi A, Ramage P, Jarousse N, Altmann E.: Discovery and structure-based optimization of adenain inhibitors. ACS Med Chem Lett, Volume 5 (8), 2014";ChEMBL
MM472714;MM472714;CCC(C(=O)NC(C(=O)NCC(=O)NCC#N)C(C)(C)C)c1cc(Cl)cc(Cl)c1;KMOFPYAFCUDHAI-DOTOQJQBSA-N;441.36;2.77;118711047;;;CHEMBL3325591;GENER;EPAM;25;0;"<a href=https://www.ebi.ac.uk/chembl/assay_report_card/CHEMBL3368150/  target=_blank>CHEMBL3368150</a>";;;;;;;;;-5.3;;;;;;;;;;;;"Mac Sweeney A, Grosche P, Ellis D, Combrink K, Erbel P, Hughes N, Sirockin F, Melkko S, Bernardi A, Ramage P, Jarousse N, Altmann E.: Discovery and structure-based optimization of adenain inhibitors. ACS Med Chem Lett, Volume 5 (8), 2014";ChEMBL
Corticosterone;MM00346;CC12CCC(=O)C=C1CCC1C2C(O)CC2(C)C(C(=O)CO)CCC12;OMFXVFTZEKFJBZ-UHFFFAOYSA-N;346.47;2.67;5753;DB04652;C0R;CHEMBL110739;BBB;EPAM;25;0;"<a href=https://www.ebi.ac.uk/chembl/assay_report_card/CHEMBL4147571/  target=_blank>CHEMBL4147571</a>";;;;;;;;;-5.2;;;;;;;;;;;;"Jiang N, Huang Q, Liu J, Liang N, Li Q, Li Q, Xie SS.: Design, synthesis and biological evaluation of new coumarin-dithiocarbamate hybrids as multifunctional agents for the treatment of Alzheimer's disease. Eur J Med Chem, Volume 146, 2018";ChEMBL
MM472716;MM472716;CCC(C)C(NC(=O)C(O)c1cc(Cl)cc(Cl)c1)C(=O)NCc1ccnc(C#N)n1;QNXJRXZVVAKZOO-NBHSMZAVSA-N;450.33;2.54;118711049;;;CHEMBL3325592;GENER;EPAM;25;0;"<a href=https://www.ebi.ac.uk/chembl/assay_report_card/CHEMBL3368150/  target=_blank>CHEMBL3368150</a>";;;;;;;;;-5.3;;;;;;;;;;;;"Mac Sweeney A, Grosche P, Ellis D, Combrink K, Erbel P, Hughes N, Sirockin F, Melkko S, Bernardi A, Ramage P, Jarousse N, Altmann E.: Discovery and structure-based optimization of adenain inhibitors. ACS Med Chem Lett, Volume 5 (8), 2014";ChEMBL
MM472717;MM472717;COCC(NC(=O)Cc1cc(Cl)cc(Cl)c1)C(=O)NCc1ccnc(C#N)n1;SEOPFNFBRKAXBL-HNNXBMFYSA-N;422.27;1.65;118711050;;;CHEMBL3325593;GENER;EPAM;25;0;"<a href=https://www.ebi.ac.uk/chembl/assay_report_card/CHEMBL3368150/  target=_blank>CHEMBL3368150</a>";;;;;;;;;-4.9;;;;;;;;;;;;"Mac Sweeney A, Grosche P, Ellis D, Combrink K, Erbel P, Hughes N, Sirockin F, Melkko S, Bernardi A, Ramage P, Jarousse N, Altmann E.: Discovery and structure-based optimization of adenain inhibitors. ACS Med Chem Lett, Volume 5 (8), 2014";ChEMBL
Corticosterone;MM00346;CC12CCC(=O)C=C1CCC1C2C(O)CC2(C)C(C(=O)CO)CCC12;OMFXVFTZEKFJBZ-UHFFFAOYSA-N;346.47;2.67;5753;DB04652;C0R;CHEMBL110739;BBB;EPAM;25;0;"<a href=https://www.ebi.ac.uk/chembl/assay_report_card/CHEMBL4147572/  target=_blank>CHEMBL4147572</a>";;;;;;;;;-5.29;;;;;;;;;;;;"Jiang N, Huang Q, Liu J, Liang N, Li Q, Li Q, Xie SS.: Design, synthesis and biological evaluation of new coumarin-dithiocarbamate hybrids as multifunctional agents for the treatment of Alzheimer's disease. Eur J Med Chem, Volume 146, 2018";ChEMBL
MM472718;MM472718;CC(O)C(NC(=O)Cc1cc(Cl)cc(Cl)c1)C(=O)NCc1ccnc(C#N)n1;HJVHLHRZTIEKNT-QGHHPUGFSA-N;422.27;1.38;118711051;;;CHEMBL3325594;GENER;EPAM;25;0;"<a href=https://www.ebi.ac.uk/chembl/assay_report_card/CHEMBL3368150/  target=_blank>CHEMBL3368150</a>";;;;;;;;;-5.4;;;;;;;;;;;;"Mac Sweeney A, Grosche P, Ellis D, Combrink K, Erbel P, Hughes N, Sirockin F, Melkko S, Bernardi A, Ramage P, Jarousse N, Altmann E.: Discovery and structure-based optimization of adenain inhibitors. ACS Med Chem Lett, Volume 5 (8), 2014";ChEMBL
MM472705;MM472705;COc1ccc2cc(C(C)C(=O)OCCS(=O)CC3(C)COC3)ccc2c1;QCRRGHKWWHMVSU-JCHGGWTISA-N;390.5;3.28;118711601;;;CHEMBL3326393;GENER;EPAM;25;+1,-1;"<a href=https://www.ebi.ac.uk/chembl/assay_report_card/CHEMBL3366337/  target=_blank>CHEMBL3366337</a>";;;;;;;;;-4.9;;;;;;;;;;;;"Skoda EM, Sacher JR, Kazancioglu MZ, Saha J, Wipf P.: An uncharged oxetanyl sulfoxide as a covalent modifier for improving aqueous solubility. ACS Med Chem Lett, Volume 5 (8), 2014";ChEMBL
MM472680;MM472680;CS(=O)(=O)NC(C(=O)NC(Cc1ccccc1)C(=O)NCC(=O)NCC#N)c1cccc(Cl)c1;;505.98;0.41;118711628;;;CHEMBL3326420;GENER;EPAM;25;0;"<a href=https://www.ebi.ac.uk/chembl/assay_report_card/CHEMBL3376636/  target=_blank>CHEMBL3376636</a>";;;;;;;;;-5.6;;;;;;;;;;;;"Grosche P, Sirockin F, Mac Sweeney A, Ramage P, Erbel P, Melkko S, Bernardi A, Hughes N, Ellis D, Combrink KD, Jarousse N, Altmann E.: Structure-based design and optimization of potent inhibitors of the adenoviral protease. Bioorg Med Chem Lett, Volume 25 (3), 2015";ChEMBL
MM472680;MM472680;CS(=O)(=O)NC(C(=O)NC(Cc1ccccc1)C(=O)NCC(=O)NCC#N)c1cccc(Cl)c1;;505.98;0.41;118711628;;;CHEMBL3326420;GENER;EPAM;25;0;"<a href=https://www.ebi.ac.uk/chembl/assay_report_card/CHEMBL3368150/  target=_blank>CHEMBL3368150</a>";;;;;;;;;-5.6;;;;;;;;;;;;"Mac Sweeney A, Grosche P, Ellis D, Combrink K, Erbel P, Hughes N, Sirockin F, Melkko S, Bernardi A, Ramage P, Jarousse N, Altmann E.: Discovery and structure-based optimization of adenain inhibitors. ACS Med Chem Lett, Volume 5 (8), 2014";ChEMBL
MM472706;MM472706;N#CCNC(=O)CNC(=O)C(Cc1ccccc1)NC(=O)Cc1cccc(Cl)c1;VEJLVHSRJODKDC-SFHVURJKSA-N;412.88;1.37;118711630;;;CHEMBL3326422;GENER;EPAM;25;0;"<a href=https://www.ebi.ac.uk/chembl/assay_report_card/CHEMBL3368150/  target=_blank>CHEMBL3368150</a>";;;;;;;;;-5.4;;;;;;;;;;;;"Mac Sweeney A, Grosche P, Ellis D, Combrink K, Erbel P, Hughes N, Sirockin F, Melkko S, Bernardi A, Ramage P, Jarousse N, Altmann E.: Discovery and structure-based optimization of adenain inhibitors. ACS Med Chem Lett, Volume 5 (8), 2014";ChEMBL
MM472707;MM472707;N#CCNC(=O)CNC(=O)C(Cc1ccccc1)NC(=O)Cc1cc(Cl)cc(Cl)c1;VGODPXCPYVWVSI-SFHVURJKSA-N;447.32;2.02;118711632;;;CHEMBL3326424;GENER;EPAM;25;0;"<a href=https://www.ebi.ac.uk/chembl/assay_report_card/CHEMBL3368150/  target=_blank>CHEMBL3368150</a>";;;;;;;;;-5.5;;;;;;;;;;;;"Mac Sweeney A, Grosche P, Ellis D, Combrink K, Erbel P, Hughes N, Sirockin F, Melkko S, Bernardi A, Ramage P, Jarousse N, Altmann E.: Discovery and structure-based optimization of adenain inhibitors. ACS Med Chem Lett, Volume 5 (8), 2014";ChEMBL
Corticosterone;MM00346;CC12CCC(=O)C=C1CCC1C2C(O)CC2(C)C(C(=O)CO)CCC12;OMFXVFTZEKFJBZ-UHFFFAOYSA-N;346.47;2.67;5753;DB04652;C0R;CHEMBL110739;BBB;EPAM;25;0;"ph = 5, <a href=https://www.ebi.ac.uk/chembl/assay_report_card/CHEMBL2185088/  target=_blank>CHEMBL2185088</a>";;;;;;;;;-4.8;;;;;;;;;;;;"Liu Y, Zhang W, Li L, Salvador LA, Chen T, Chen W, Felsenstein KM, Ladd TB, Price AR, Golde TE, He J, Xu Y, Li Y, Luesch H.: Cyanobacterial peptides as a prototype for the design of potent β-secretase inhibitors and the development of selective chemical probes for other aspartic proteases. J Med Chem, Volume 55 (23), 2012";ChEMBL
MM472708;MM472708;CC(C(=O)NC(Cc1ccccc1)C(=O)NCC(=O)NCC#N)c1cc(Cl)cc(Cl)c1;IJJBEOIATZKDDH-PKDNWHCCSA-N;461.35;2.58;118711633;;;CHEMBL3326425;GENER;EPAM;25;0;"<a href=https://www.ebi.ac.uk/chembl/assay_report_card/CHEMBL3368150/  target=_blank>CHEMBL3368150</a>";;;;;;;;;-5.3;;;;;;;;;;;;"Mac Sweeney A, Grosche P, Ellis D, Combrink K, Erbel P, Hughes N, Sirockin F, Melkko S, Bernardi A, Ramage P, Jarousse N, Altmann E.: Discovery and structure-based optimization of adenain inhibitors. ACS Med Chem Lett, Volume 5 (8), 2014";ChEMBL
Corticosterone;MM00346;CC12CCC(=O)C=C1CCC1C2C(O)CC2(C)C(C(=O)CO)CCC12;OMFXVFTZEKFJBZ-UHFFFAOYSA-N;346.47;2.67;5753;DB04652;C0R;CHEMBL110739;BBB;EPAM;25;0;"ph = 7.4, <a href=https://www.ebi.ac.uk/chembl/assay_report_card/CHEMBL2185087/  target=_blank>CHEMBL2185087</a>";;;;;;;;;-4.76;;;;;;;;;;;;"Liu Y, Zhang W, Li L, Salvador LA, Chen T, Chen W, Felsenstein KM, Ladd TB, Price AR, Golde TE, He J, Xu Y, Li Y, Luesch H.: Cyanobacterial peptides as a prototype for the design of potent β-secretase inhibitors and the development of selective chemical probes for other aspartic proteases. J Med Chem, Volume 55 (23), 2012";ChEMBL
MM472709;MM472709;N#CCNC(=O)CNC(=O)C(Cc1ccccn1)NC(=O)Cc1cc(Cl)cc(Cl)c1;BZTAVLPRISYGFX-UHFFFAOYSA-N;448.31;1.41;118711634;;;CHEMBL3326426;GENER;EPAM;25;0;"<a href=https://www.ebi.ac.uk/chembl/assay_report_card/CHEMBL3368150/  target=_blank>CHEMBL3368150</a>";;;;;;;;;-5.5;;;;;;;;;;;;"Mac Sweeney A, Grosche P, Ellis D, Combrink K, Erbel P, Hughes N, Sirockin F, Melkko S, Bernardi A, Ramage P, Jarousse N, Altmann E.: Discovery and structure-based optimization of adenain inhibitors. ACS Med Chem Lett, Volume 5 (8), 2014";ChEMBL
Corticosterone;MM00346;CC12CCC(=O)C=C1CCC1C2C(O)CC2(C)C(C(=O)CO)CCC12;OMFXVFTZEKFJBZ-UHFFFAOYSA-N;346.47;2.67;5753;DB04652;C0R;CHEMBL110739;BBB;EPAM;25;0;"ph = 7.4, <a href=https://www.ebi.ac.uk/chembl/assay_report_card/CHEMBL3389061/  target=_blank>CHEMBL3389061</a>";;;;;;;;;-4.85;;;;;;;;;;;;"Schroeder CE, Yao T, Sotsky J, Smith RA, Roy S, Chu YK, Guo H, Tower NA, Noah JW, McKellip S, Sosa M, Rasmussen L, Smith LH, White EL, Aubé J, Jonsson CB, Chung D, Golden JE.: Development of (E)-2-((1,4-dimethylpiperazin-2-ylidene)amino)-5-nitro-N-phenylbenzamide, ML336: Novel 2-amidinophenylbenzamides as potent inhibitors of venezuelan equine encephalitis virus. J Med Chem, Volume 57 (20), 2014";ChEMBL
MM472710;MM472710;N#CCNC(=O)CNC(=O)C(CN)NC(=O)Cc1cc(Cl)cc(Cl)c1;IDXJDHIREGWTEK-LBPRGKRZSA-N;386.24;-0.26;118711635;;;CHEMBL3326427;GENER;EPAM;25;0;"<a href=https://www.ebi.ac.uk/chembl/assay_report_card/CHEMBL3368150/  target=_blank>CHEMBL3368150</a>";;;;;;;;;-5.1;;;;;;;;;;;;"Mac Sweeney A, Grosche P, Ellis D, Combrink K, Erbel P, Hughes N, Sirockin F, Melkko S, Bernardi A, Ramage P, Jarousse N, Altmann E.: Discovery and structure-based optimization of adenain inhibitors. ACS Med Chem Lett, Volume 5 (8), 2014";ChEMBL
MM472711;MM472711;CC(O)C(NC(=O)Cc1cc(Cl)cc(Cl)c1)C(=O)NCC(=O)NCC#N;YPFUNVVIUAWVOX-PSLIRLAXSA-N;401.25;0.16;118711636;;;CHEMBL3326428;GENER;EPAM;25;0;"<a href=https://www.ebi.ac.uk/chembl/assay_report_card/CHEMBL3368150/  target=_blank>CHEMBL3368150</a>";;;;;;;;;-5.3;;;;;;;;;;;;"Mac Sweeney A, Grosche P, Ellis D, Combrink K, Erbel P, Hughes N, Sirockin F, Melkko S, Bernardi A, Ramage P, Jarousse N, Altmann E.: Discovery and structure-based optimization of adenain inhibitors. ACS Med Chem Lett, Volume 5 (8), 2014";ChEMBL
Corticosterone;MM00346;CC12CCC(=O)C=C1CCC1C2C(O)CC2(C)C(C(=O)CO)CCC12;OMFXVFTZEKFJBZ-UHFFFAOYSA-N;346.47;2.67;5753;DB04652;C0R;CHEMBL110739;BBB;EPAM;25;0;"<a href=https://www.ebi.ac.uk/chembl/assay_report_card/CHEMBL1105051/  target=_blank>CHEMBL1105051</a>";;;;;;;;;-5.19;;;;;;;;;;;;"Arce MP, Rodríguez-Franco MI, González-Muñoz GC, Pérez C, López B, Villarroya M, López MG, García AG, Conde S.: Neuroprotective and cholinergic properties of multifunctional glutamic acid derivatives for the treatment of Alzheimer's disease. J Med Chem, Volume 52 (22), 2009";ChEMBL
MM472712;MM472712;CC(C)(C)C(NC(=O)Cc1cc(Cl)cc(Cl)c1)C(=O)NCC(=O)NCC#N;QRGGIHKDVXJVNS-MRXNPFEDSA-N;413.31;1.82;118711945;;;CHEMBL3326858;GENER;EPAM;25;0;"<a href=https://www.ebi.ac.uk/chembl/assay_report_card/CHEMBL3368150/  target=_blank>CHEMBL3368150</a>";;;;;;;;;-5.4;;;;;;;;;;;;"Mac Sweeney A, Grosche P, Ellis D, Combrink K, Erbel P, Hughes N, Sirockin F, Melkko S, Bernardi A, Ramage P, Jarousse N, Altmann E.: Discovery and structure-based optimization of adenain inhibitors. ACS Med Chem Lett, Volume 5 (8), 2014";ChEMBL
MM472713;MM472713;CCC(C(=O)NC(C(=O)NCC(=O)NCC#N)C(C)O)c1cc(Cl)cc(Cl)c1;UZVFCWAZNMHIFH-OOVXXXAESA-N;429.3;1.11;118711947;;;CHEMBL3326860;GENER;EPAM;25;0;"<a href=https://www.ebi.ac.uk/chembl/assay_report_card/CHEMBL3368150/  target=_blank>CHEMBL3368150</a>";;;;;;;;;-5;;;;;;;;;;;;"Mac Sweeney A, Grosche P, Ellis D, Combrink K, Erbel P, Hughes N, Sirockin F, Melkko S, Bernardi A, Ramage P, Jarousse N, Altmann E.: Discovery and structure-based optimization of adenain inhibitors. ACS Med Chem Lett, Volume 5 (8), 2014";ChEMBL
MM471632;MM471632;O=C(Nc1c(Cl)cncc1Cl)c1ccc(OC(F)F)c(OCCCNC2CCOC2=O)c1;XZTGPNPNISFWHR-UHFFFAOYSA-N;490.29;3.92;71262641;;;CHEMBL3327315;GENER;EPAM;25;0;"ph = 7.4, <a href=https://www.ebi.ac.uk/chembl/assay_report_card/CHEMBL3374903/  target=_blank>CHEMBL3374903</a>";;;;;;;;;-5.14;;;;;;;;;;;;"Boland S, Alen J, Bourin A, Castermans K, Boumans N, Panitti L, Vanormelingen J, Leysen D, Defert O.: Novel Roflumilast analogs as soft PDE4 inhibitors. Bioorg Med Chem Lett, Volume 24 (18), 2014";ChEMBL
MM471633;MM471633;O=C(Nc1c(Cl)cncc1Cl)c1ccc(OC(F)F)c(OCCCNC(CCO)C(=O)O)c1;DTTYAFWXCJLSCM-UHFFFAOYSA-N;508.31;3.44;71262536;;;CHEMBL3327318;GENER;EPAM;25;0;"ph = 7.4, <a href=https://www.ebi.ac.uk/chembl/assay_report_card/CHEMBL3374903/  target=_blank>CHEMBL3374903</a>";;;;;;;;;-7.7;;;;;;;;;;;;"Boland S, Alen J, Bourin A, Castermans K, Boumans N, Panitti L, Vanormelingen J, Leysen D, Defert O.: Novel Roflumilast analogs as soft PDE4 inhibitors. Bioorg Med Chem Lett, Volume 24 (18), 2014";ChEMBL
MM471634;MM471634;O=C(Nc1c(Cl)cncc1Cl)c1ccc(OC(F)F)c(OCCCSC2CCOC2=O)c1;DHNXZPUYXNQSME-UHFFFAOYSA-N;507.34;5.06;71262640;;;CHEMBL3327321;GENER;EPAM;25;0;"ph = 7.4, <a href=https://www.ebi.ac.uk/chembl/assay_report_card/CHEMBL3374903/  target=_blank>CHEMBL3374903</a>";;;;;;;;;-5.18;;;;;;;;;;;;"Boland S, Alen J, Bourin A, Castermans K, Boumans N, Panitti L, Vanormelingen J, Leysen D, Defert O.: Novel Roflumilast analogs as soft PDE4 inhibitors. Bioorg Med Chem Lett, Volume 24 (18), 2014";ChEMBL
Corticosterone;MM00346;CC12CCC(=O)C=C1CCC1C2C(O)CC2(C)C(C(=O)CO)CCC12;OMFXVFTZEKFJBZ-UHFFFAOYSA-N;346.47;2.67;5753;DB04652;C0R;CHEMBL110739;BBB;EPAM;25;0;"<a href=https://www.ebi.ac.uk/chembl/assay_report_card/CHEMBL4259691/  target=_blank>CHEMBL4259691</a>";;;;;;;;;-5.29;;;;;;;;;;;;"Nath C, Badavath VN, Thakur A, Ucar G, Acevedo O, Mohd Siddique MU, Jayaprakash V.: Curcumin-based pyrazoline analogues as selective inhibitors of human monoamine oxidase A. Medchemcomm, Volume 9 (7), 2018";ChEMBL
MM471635;MM471635;O=C(Nc1c(Cl)cncc1Cl)c1ccc(OC(F)F)c(OCCCSC(CCO)C(=O)O)c1;HDZSCMIJCHVDIQ-UHFFFAOYSA-N;525.36;4.58;118712220;;;CHEMBL3327322;GENER;EPAM;25;0;"ph = 7.4, <a href=https://www.ebi.ac.uk/chembl/assay_report_card/CHEMBL3374903/  target=_blank>CHEMBL3374903</a>";;;;;;;;;-6.85;;;;;;;;;;;;"Boland S, Alen J, Bourin A, Castermans K, Boumans N, Panitti L, Vanormelingen J, Leysen D, Defert O.: Novel Roflumilast analogs as soft PDE4 inhibitors. Bioorg Med Chem Lett, Volume 24 (18), 2014";ChEMBL
Corticosterone;MM00346;CC12CCC(=O)C=C1CCC1C2C(O)CC2(C)C(C(=O)CO)CCC12;OMFXVFTZEKFJBZ-UHFFFAOYSA-N;346.47;2.67;5753;DB04652;C0R;CHEMBL110739;BBB;EPAM;25;0;"<a href=https://www.ebi.ac.uk/chembl/assay_report_card/CHEMBL4259692/  target=_blank>CHEMBL4259692</a>";;;;;;;;;-5.3;;;;;;;;;;;;"Nath C, Badavath VN, Thakur A, Ucar G, Acevedo O, Mohd Siddique MU, Jayaprakash V.: Curcumin-based pyrazoline analogues as selective inhibitors of human monoamine oxidase A. Medchemcomm, Volume 9 (7), 2018";ChEMBL
MM471636;MM471636;O=C(Nc1c(Cl)cncc1Cl)c1ccc(OC(F)F)c(OCCCCNC2CCOC2=O)c1;DXCZVUGSWTZEKE-UHFFFAOYSA-N;504.32;4.31;71254931;;;CHEMBL3327323;GENER;EPAM;25;0;"ph = 7.4, <a href=https://www.ebi.ac.uk/chembl/assay_report_card/CHEMBL3374903/  target=_blank>CHEMBL3374903</a>";;;;;;;;;-5.33;;;;;;;;;;;;"Boland S, Alen J, Bourin A, Castermans K, Boumans N, Panitti L, Vanormelingen J, Leysen D, Defert O.: Novel Roflumilast analogs as soft PDE4 inhibitors. Bioorg Med Chem Lett, Volume 24 (18), 2014";ChEMBL
MM471637;MM471637;O=C(Nc1c(Cl)cncc1Cl)c1ccc(OC(F)F)c(OCCCCNC(CCO)C(=O)O)c1;MRLBVOBMAVAAQH-UHFFFAOYSA-N;522.33;3.83;71262535;;;CHEMBL3327324;GENER;EPAM;25;0;"ph = 7.4, <a href=https://www.ebi.ac.uk/chembl/assay_report_card/CHEMBL3374903/  target=_blank>CHEMBL3374903</a>";;;;;;;;;-7.52;;;;;;;;;;;;"Boland S, Alen J, Bourin A, Castermans K, Boumans N, Panitti L, Vanormelingen J, Leysen D, Defert O.: Novel Roflumilast analogs as soft PDE4 inhibitors. Bioorg Med Chem Lett, Volume 24 (18), 2014";ChEMBL
MM471638;MM471638;O=C(Nc1c(Cl)cncc1Cl)c1ccc(OC(F)F)c(OCCCCSC2CCOC2=O)c1;FBVIQYXJLZDUSS-UHFFFAOYSA-N;521.37;5.45;71254628;;;CHEMBL3327325;GENER;EPAM;25;0;"ph = 7.4, <a href=https://www.ebi.ac.uk/chembl/assay_report_card/CHEMBL3374903/  target=_blank>CHEMBL3374903</a>";;;;;;;;;-5.6;;;;;;;;;;;;"Boland S, Alen J, Bourin A, Castermans K, Boumans N, Panitti L, Vanormelingen J, Leysen D, Defert O.: Novel Roflumilast analogs as soft PDE4 inhibitors. Bioorg Med Chem Lett, Volume 24 (18), 2014";ChEMBL
MM471639;MM471639;O=C(Nc1c(Cl)cncc1Cl)c1ccc(OC(F)F)c(OCCCCSC(CCO)C(=O)O)c1;HRFYVOPZMBRDKK-UHFFFAOYSA-N;539.38;4.97;118712221;;;CHEMBL3327326;GENER;EPAM;25;0;"ph = 7.4, <a href=https://www.ebi.ac.uk/chembl/assay_report_card/CHEMBL3374903/  target=_blank>CHEMBL3374903</a>";;;;;;;;;-7.3;;;;;;;;;;;;"Boland S, Alen J, Bourin A, Castermans K, Boumans N, Panitti L, Vanormelingen J, Leysen D, Defert O.: Novel Roflumilast analogs as soft PDE4 inhibitors. Bioorg Med Chem Lett, Volume 24 (18), 2014";ChEMBL
MM471640;MM471640;COC(=O)CNCCCOc1cc(C(=O)Nc2c(Cl)cncc2Cl)ccc1OC(F)F;WNYHKXSTAUQMNM-UHFFFAOYSA-N;478.28;3.77;71512292;;;CHEMBL3327328;GENER;EPAM;25;0;"ph = 7.4, <a href=https://www.ebi.ac.uk/chembl/assay_report_card/CHEMBL3374903/  target=_blank>CHEMBL3374903</a>";;;;;;;;;-5.05;;;;;;;;;;;;"Boland S, Alen J, Bourin A, Castermans K, Boumans N, Panitti L, Vanormelingen J, Leysen D, Defert O.: Novel Roflumilast analogs as soft PDE4 inhibitors. Bioorg Med Chem Lett, Volume 24 (18), 2014";ChEMBL
MM471643;MM471643;CCc1ccccc1C(C(=O)Nc1ccc2[nH]nc(-c3cccc(S(N)(=O)=O)c3)c2c1)N(C)C;JAHXQCZCZURPTI-UHFFFAOYSA-N;477.59;3.68;101903000;;;CHEMBL3330409;GENER;EPAM;25;0;"ph = 7.4, <a href=https://www.ebi.ac.uk/chembl/assay_report_card/CHEMBL3367716/  target=_blank>CHEMBL3367716</a>";;;;;;;;;-4.72;;;;;;;;;;;;"Laufer R, Ng G, Liu Y, Patel NK, Edwards LG, Lang Y, Li SW, Feher M, Awrey DE, Leung G, Beletskaya I, Plotnikova O, Mason JM, Hodgson R, Wei X, Mao G, Luo X, Huang P, Green E, Kiarash R, Lin DC, Harris-Brandts M, Ban F, Nadeem V, Mak TW, Pan GJ, Qiu W, Chirgadze NY, Pauls HW.: Discovery of inhibitors of the mitotic kinase TTK based on N-(3-(3-sulfamoylphenyl)-1H-indazol-5-yl)-acetamides and carboxamides. Bioorg Med Chem, Volume 22 (17), 2014";ChEMBL
MM471642;MM471642;NS(=O)(=O)c1cccc(-c2n[nH]c3ccc(NC(=O)C(c4ccsc4)N4CCCC4)cc23)c1;JBZRAEUHDPMQSF-UHFFFAOYSA-N;481.6;3.71;101902999;;;CHEMBL3330410;GENER;EPAM;25;0;"ph = 7.4, <a href=https://www.ebi.ac.uk/chembl/assay_report_card/CHEMBL3367716/  target=_blank>CHEMBL3367716</a>";;;;;;;;;-5.38;;;;;;;;;;;;"Laufer R, Ng G, Liu Y, Patel NK, Edwards LG, Lang Y, Li SW, Feher M, Awrey DE, Leung G, Beletskaya I, Plotnikova O, Mason JM, Hodgson R, Wei X, Mao G, Luo X, Huang P, Green E, Kiarash R, Lin DC, Harris-Brandts M, Ban F, Nadeem V, Mak TW, Pan GJ, Qiu W, Chirgadze NY, Pauls HW.: Discovery of inhibitors of the mitotic kinase TTK based on N-(3-(3-sulfamoylphenyl)-1H-indazol-5-yl)-acetamides and carboxamides. Bioorg Med Chem, Volume 22 (17), 2014";ChEMBL
MM474131;MM474131;CCN(Cc1cc(C(F)(F)F)ccc1-c1nn(CC(=O)O)c2ccccc12)C(=O)C1CC1;QSCQYNXQLOPYJJ-UHFFFAOYSA-N;445.44;4.57;71222598;;;CHEMBL3338144;GENER;EPAM;25;0;"<a href=https://www.ebi.ac.uk/chembl/assay_report_card/CHEMBL3377767/  target=_blank>CHEMBL3377767</a>";;;;;;;;;-6.74;;;;;;;;;;;;"Alonso JA, Andrés M, Bravo M, Buil MA, Calbet M, Castro J, Eastwood PR, Eichhorn P, Esteve C, Gómez E, González J, Mir M, Petit S, Roberts RS, Vidal B, Vidal L, Vilaseca P, Zanuy M.: Structure-activity relationships (SAR) and structure-kinetic relationships (SKR) of bicyclic heteroaromatic acetic acids as potent CRTh2 antagonists I. Bioorg Med Chem Lett, Volume 24 (21), 2014";ChEMBL
MM474132;MM474132;CCN(Cc1cc(C(F)(F)F)ccc1-c1cn(CC(=O)O)c2ccccc12)C(=O)C1CC1;XURSVQTVTFZLQW-UHFFFAOYSA-N;444.45;5.17;71223330;;;CHEMBL3338145;GENER;EPAM;25;0;"<a href=https://www.ebi.ac.uk/chembl/assay_report_card/CHEMBL3377767/  target=_blank>CHEMBL3377767</a>";;;;;;;;;-6.22;;;;;;;;;;;;"Alonso JA, Andrés M, Bravo M, Buil MA, Calbet M, Castro J, Eastwood PR, Eichhorn P, Esteve C, Gómez E, González J, Mir M, Petit S, Roberts RS, Vidal B, Vidal L, Vilaseca P, Zanuy M.: Structure-activity relationships (SAR) and structure-kinetic relationships (SKR) of bicyclic heteroaromatic acetic acids as potent CRTh2 antagonists I. Bioorg Med Chem Lett, Volume 24 (21), 2014";ChEMBL
MM474133;MM474133;CCN(Cc1cc(C(F)(F)F)ccc1-n1cc(CC(=O)O)c2cccnc21)C(=O)C1CC1;BUAAXOZBOZWLJY-UHFFFAOYSA-N;445.44;4.43;71222494;;;CHEMBL3338149;GENER;EPAM;25;0;"<a href=https://www.ebi.ac.uk/chembl/assay_report_card/CHEMBL3377767/  target=_blank>CHEMBL3377767</a>";;;;;;;;;-5.96;;;;;;;;;;;;"Alonso JA, Andrés M, Bravo M, Buil MA, Calbet M, Castro J, Eastwood PR, Eichhorn P, Esteve C, Gómez E, González J, Mir M, Petit S, Roberts RS, Vidal B, Vidal L, Vilaseca P, Zanuy M.: Structure-activity relationships (SAR) and structure-kinetic relationships (SKR) of bicyclic heteroaromatic acetic acids as potent CRTh2 antagonists I. Bioorg Med Chem Lett, Volume 24 (21), 2014";ChEMBL
MM474482;MM474482;CCCc1cnc(N2CCC(Oc3ccn(-c4ccc(S(C)(=O)=O)cc4F)c(=O)c3)CC2)nc1;HIJKGVNKHCXAKW-UHFFFAOYSA-N;486.57;3.17;57550042;;;CHEMBL3338181;GENER;EPAM;25;0;"<a href=https://www.ebi.ac.uk/chembl/assay_report_card/CHEMBL3382467/  target=_blank>CHEMBL3382467</a>";;;;;;;;;-4.49;;;;;;;;;;;;"Wacker DA, Wang Y, Broekema M, Rossi K, O'Connor S, Hong Z, Wu G, Malmstrom SE, Hung CP, LaMarre L, Chimalakonda A, Zhang L, Xin L, Cai H, Chu C, Boehm S, Zalaznick J, Ponticiello R, Sereda L, Han SP, Zebo R, Zinker B, Luk CE, Wong R, Everlof G, Li YX, Wu CK, Lee M, Griffen S, Miller KJ, Krupinski J, Robl JA.: Discovery of 5-chloro-4-((1-(5-chloropyrimidin-2-yl)piperidin-4-yl)oxy)-1-(2-fluoro-4-(methylsulfonyl)phenyl)pyridin-2(1H)-one (BMS-903452), an antidiabetic clinical candidate targeting GPR119. J Med Chem, Volume 57 (18), 2014";ChEMBL
MM472676;MM472676;c1cc2c(N3CCNCC3)nc(-c3ccc4[nH]ncc4c3)nc2cn1;GMLKJSOWCKBKLX-UHFFFAOYSA-N;331.38;1.98;91758287;;;CHEMBL3338839;GENER;EPAM;25;0;"<a href=https://www.ebi.ac.uk/chembl/assay_report_card/CHEMBL3387561/  target=_blank>CHEMBL3387561</a>";;;;;;;;;-7.1;;;;;;;;;;;;"Shaw D, Hollingworth G, Soldermann N, Sprague E, Schuler W, Vangrevelinghe E, Duggan N, Thomas M, Kosaka T, Waters N, van Eis MJ.: Novel ROCK inhibitors for the treatment of pulmonary arterial hypertension. Bioorg Med Chem Lett, Volume 24 (20), 2014";ChEMBL
MM472677;MM472677;c1ccc2c(N3CCNCC3)nc(-c3ccc4[nH]ncc4c3)nc2c1;RDSJJFGKRCBYRH-UHFFFAOYSA-N;330.4;2.58;118715600;;;CHEMBL3338840;GENER;EPAM;25;0;"<a href=https://www.ebi.ac.uk/chembl/assay_report_card/CHEMBL3387561/  target=_blank>CHEMBL3387561</a>";;;;;;;;;-5.6;;;;;;;;;;;;"Shaw D, Hollingworth G, Soldermann N, Sprague E, Schuler W, Vangrevelinghe E, Duggan N, Thomas M, Kosaka T, Waters N, van Eis MJ.: Novel ROCK inhibitors for the treatment of pulmonary arterial hypertension. Bioorg Med Chem Lett, Volume 24 (20), 2014";ChEMBL
MM474686;MM474686;CC(=O)NC(C(=O)N1CC(O)CC1C(=O)NCc1ccc(-c2scnc2C)cc1)C(C)(C)C;GFVIEZBZIUKYOG-SVFBPWRDSA-N;472.61;2.25;77232228;;;CHEMBL3344081;GENER;EPAM;25;0;"<a href=https://www.ebi.ac.uk/chembl/assay_report_card/CHEMBL4219886/  target=_blank>CHEMBL4219886</a>";;;;;;;;;-6.92;;;;;;;;;;;;"Soares P, Gadd MS, Frost J, Galdeano C, Ellis L, Epemolu O, Rocha S, Read KD, Ciulli A.: Group-Based Optimization of Potent and Cell-Active Inhibitors of the von Hippel-Lindau (VHL) E3 Ubiquitin Ligase: Structure-Activity Relationships Leading to the Chemical Probe (2S,4R)-1-((S)-2-(1-Cyanocyclopropanecarboxamido)-3,3-dimethylbutanoyl)-4-hydroxy-N-(4-(4-methylthiazol-5-yl)benzyl)pyrrolidine-2-carboxamide (VH298). J Med Chem, Volume 61 (2), 2018";ChEMBL
MM471780;MM471780;C=CC(=O)Nc1cc(Nc2nccc(-c3cn(C)c4ccccc34)n2)c(OC)cc1N(C)CCN(C)C;DUYJMQONPNNFPI-UHFFFAOYSA-N;499.62;4.51;71496458;;;CHEMBL3353410;GENER;EPAM;25;0;"ph = 7.4, <a href=https://www.ebi.ac.uk/chembl/assay_report_card/CHEMBL4324133/  target=_blank>CHEMBL4324133</a>";;;;;;;;;-5.57;;;;;;;;;;;;"Engelhardt H, Böse D, Petronczki M, Scharn D, Bader G, Baum A, Bergner A, Chong E, Döbel S, Egger G, Engelhardt C, Ettmayer P, Fuchs JE, Gerstberger T, Gonnella N, Grimm A, Grondal E, Haddad N, Hopfgartner B, Kousek R, Krawiec M, Kriz M, Lamarre L, Leung J, Mayer M, Patel ND, Simov BP, Reeves JT, Schnitzer R, Schrenk A, Sharps B, Solca F, Stadtmüller H, Tan Z, Wunberg T, Zoephel A, McConnell DB.: Start Selective and Rigidify: The Discovery Path toward a Next Generation of EGFR Tyrosine Kinase Inhibitors. J Med Chem, Volume 62 (22), 2019";ChEMBL
MM472686;MM472686;COc1ccc(C(=O)NCC(=O)NCC#N)cc1C(=O)C(C)(C)c1cc(Cl)cc(Cl)c1;MXZCYVQMFRKLKM-UHFFFAOYSA-N;462.33;3.53;;;;;GENER;EPAM;25;0;"<a href=https://www.ebi.ac.uk/chembl/assay_report_card/CHEMBL3376636/  target=_blank>CHEMBL3376636</a>";;;;;;;;;-5;;;;;;;;;;;;"Grosche P, Sirockin F, Mac Sweeney A, Ramage P, Erbel P, Melkko S, Bernardi A, Hughes N, Ellis D, Combrink KD, Jarousse N, Altmann E.: Structure-based design and optimization of potent inhibitors of the adenoviral protease. Bioorg Med Chem Lett, Volume 25 (3), 2015";ChEMBL
MM472685;MM472685;CN(C)CCOc1ccc(C(=O)NCC(=O)NCC#N)cc1C(=O)C(C)(C)c1cc(Cl)cc(Cl)c1;LUHJTZQBKQQNIT-UHFFFAOYSA-N;519.43;3.46;;;;;GENER;EPAM;25;0;"<a href=https://www.ebi.ac.uk/chembl/assay_report_card/CHEMBL3376636/  target=_blank>CHEMBL3376636</a>";;;;;;;;;-5.5;;;;;;;;;;;;"Grosche P, Sirockin F, Mac Sweeney A, Ramage P, Erbel P, Melkko S, Bernardi A, Hughes N, Ellis D, Combrink KD, Jarousse N, Altmann E.: Structure-based design and optimization of potent inhibitors of the adenoviral protease. Bioorg Med Chem Lett, Volume 25 (3), 2015";ChEMBL
MM472684;MM472684;CN(C)CCOc1ccc(C(=O)NCc2ccnc(C#N)n2)cc1C(=O)C(C)(C)c1cc(Cl)cc(Cl)c1;HNFUPLJEUVTDOT-UHFFFAOYSA-N;540.45;4.69;;;;;GENER;EPAM;25;0;"<a href=https://www.ebi.ac.uk/chembl/assay_report_card/CHEMBL3376636/  target=_blank>CHEMBL3376636</a>";;;;;;;;;-4.2;;;;;;;;;;;;"Grosche P, Sirockin F, Mac Sweeney A, Ramage P, Erbel P, Melkko S, Bernardi A, Hughes N, Ellis D, Combrink KD, Jarousse N, Altmann E.: Structure-based design and optimization of potent inhibitors of the adenoviral protease. Bioorg Med Chem Lett, Volume 25 (3), 2015";ChEMBL
MM472683;MM472683;COc1ccc(C(=O)NCC(=O)NC/C=C/S(C)(=O)=O)cc1C(=O)C(C)(C)c1cc(Cl)cc(Cl)c1;SSLOWHLLWHTKDK-WEVVVXLNSA-N;541.45;3.57;;;;;GENER;EPAM;25;0;"<a href=https://www.ebi.ac.uk/chembl/assay_report_card/CHEMBL3376636/  target=_blank>CHEMBL3376636</a>";;;;;;;;;-4.1;;;;;;;;;;;;"Grosche P, Sirockin F, Mac Sweeney A, Ramage P, Erbel P, Melkko S, Bernardi A, Hughes N, Ellis D, Combrink KD, Jarousse N, Altmann E.: Structure-based design and optimization of potent inhibitors of the adenoviral protease. Bioorg Med Chem Lett, Volume 25 (3), 2015";ChEMBL
MM472682;MM472682;CC(C)(C)[C@H](NC(=O)Cc1cc(Cl)cc(Cl)c1)C(=O)NCC(=O)NC/C=C/S(C)(=O)=O;CJPQKDCNIAERJN-SUQGKYDKSA-N;492.43;1.86;;;;;GENER;EPAM;25;0;"<a href=https://www.ebi.ac.uk/chembl/assay_report_card/CHEMBL3376636/  target=_blank>CHEMBL3376636</a>";;;;;;;;;-5.6;;;;;;;;;;;;"Grosche P, Sirockin F, Mac Sweeney A, Ramage P, Erbel P, Melkko S, Bernardi A, Hughes N, Ellis D, Combrink KD, Jarousse N, Altmann E.: Structure-based design and optimization of potent inhibitors of the adenoviral protease. Bioorg Med Chem Lett, Volume 25 (3), 2015";ChEMBL
MM472681;MM472681;CC[C@H](C(=O)N[C@H]1CCN(CC(=O)NC/C=C/S(C)(=O)=O)C1=O)c1cc(Cl)cc(Cl)c1;SRZWDJLAFGSPHH-ALOLOFKDSA-N;490.41;1.88;;;;;GENER;EPAM;25;0;"<a href=https://www.ebi.ac.uk/chembl/assay_report_card/CHEMBL3376636/  target=_blank>CHEMBL3376636</a>";;;;;;;;;-5.5;;;;;;;;;;;;"Grosche P, Sirockin F, Mac Sweeney A, Ramage P, Erbel P, Melkko S, Bernardi A, Hughes N, Ellis D, Combrink KD, Jarousse N, Altmann E.: Structure-based design and optimization of potent inhibitors of the adenoviral protease. Bioorg Med Chem Lett, Volume 25 (3), 2015";ChEMBL
MM472678;MM472678;CCOC(=O)[C@](C)(Cc1ccccc1)c1c(C)cnc2c(-c3ccc(C(F)(F)F)cc3)cnn12;KWIOPQKUZLWYEN-RUZDIDTESA-N;467.49;5.79;;;;;GENER;EPAM;25;0;"<a href=https://www.ebi.ac.uk/chembl/assay_report_card/CHEMBL3387658/  target=_blank>CHEMBL3387658</a>";;;;;;;;;-5.4;;;;;;;;;;;;"Azimioara M, Alper P, Cow C, Mutnick D, Nikulin V, Lelais G, Mecom J, McNeill M, Michellys PY, Wang Z, Reding E, Paliotti M, Li J, Bao D, Zoll J, Kim Y, Zimmerman M, Groessl T, Tuntland T, Joseph SB, McNamara P, Seidel HM, Epple R.: Novel tricyclic pyrazolopyrimidines as potent and selective GPR119 agonists. Bioorg Med Chem Lett, Volume 24 (23), 2014";ChEMBL
MM472679;MM472679;CCOC(=O)[C@@]1(Cc2ccccc2)CCc2cnc3c(-c4ccc(C(F)(F)F)cc4)cnn3c21;QGPDNTVBBFWXKO-RUZDIDTESA-N;465.48;5.4;;;;;GENER;EPAM;25;0;"<a href=https://www.ebi.ac.uk/chembl/assay_report_card/CHEMBL3387658/  target=_blank>CHEMBL3387658</a>";;;;;;;;;-5.5;;;;;;;;;;;;"Azimioara M, Alper P, Cow C, Mutnick D, Nikulin V, Lelais G, Mecom J, McNeill M, Michellys PY, Wang Z, Reding E, Paliotti M, Li J, Bao D, Zoll J, Kim Y, Zimmerman M, Groessl T, Tuntland T, Joseph SB, McNamara P, Seidel HM, Epple R.: Novel tricyclic pyrazolopyrimidines as potent and selective GPR119 agonists. Bioorg Med Chem Lett, Volume 24 (23), 2014";ChEMBL
MM474480;MM474480;CC(C)S(=O)(=O)c1c(Cl)ccc(Nc2nc(C(C)(C)C)cc(=O)[nH]2)c1O;RWAZVTQXGWHWFP-UHFFFAOYSA-N;399.9;3.35;136087081;;;CHEMBL3355235;GENER;EPAM;25;0;"<a href=https://www.ebi.ac.uk/chembl/assay_report_card/CHEMBL3388270/  target=_blank>CHEMBL3388270</a>";;;;;;;;;-4.43;;;;;;;;;;;;"Lu H, Yang T, Xu Z, Wren PB, Zhang Y, Cai X, Patel M, Dong K, Zhang Q, Zhang W, Guan X, Xiang J, Elliott JD, Lin X, Ren F.: 2-Aminopyrimidin-4(1H)-one as the novel bioisostere of urea: discovery of novel and potent CXCR2 antagonists. Bioorg Med Chem Lett, Volume 24 (23), 2014";ChEMBL
MM474487;MM474487;COc1cccc2c1C(=NCC(C)(C)c1ccccc1)NC2=O;WVNWIKASGFTXTN-UHFFFAOYSA-N;308.38;3.16;135402003;;;CHEMBL3356074;GENER;EPAM;25;0;"<a href=https://www.ebi.ac.uk/chembl/assay_report_card/CHEMBL3364873/  target=_blank>CHEMBL3364873</a>";;;;;;;;;-4.1;;;;;;;;;;;;"Johnson JA, Xu N, Jeon Y, Finlay HJ, Kover A, Conder ML, Sun H, Li D, Levesque P, Hsueh MM, Harper TW, Wexler RR, Lloyd J.: Design, synthesis and evaluation of phenethylaminoheterocycles as K(v)1.5 inhibitors. Bioorg Med Chem Lett, Volume 24 (14), 2014";ChEMBL
MM474135;MM474135;CN(C)CCn1c(CC(C)(C)C)nc2cc(S(=O)(=O)C3CN(C)C3)ccc21;KAYXDULUFFZBHW-UHFFFAOYSA-N;392.57;2.27;118722157;;;CHEMBL3357382;GENER;EPAM;25;0;"<a href=https://www.ebi.ac.uk/chembl/assay_report_card/CHEMBL3373671/  target=_blank>CHEMBL3373671</a>";;;;;;;;;-5.11;;;;;;;;;;;;"Iwata Y, Ando K, Taniguchi K, Koba N, Sugiura A, Sudo M.: Identification of a highly potent and selective CB2 agonist, RQ-00202730, for the treatment of irritable bowel syndrome. Bioorg Med Chem Lett, Volume 25 (2), 2015";ChEMBL
MM474137;MM474137;CCN1CC(S(=O)(=O)c2ccc3c(c2)nc(CC(C)(C)C)n3CCN(C)C)C1;GPTAFFHSWDOBMS-UHFFFAOYSA-N;406.6;2.66;46852211;;;CHEMBL3357389;GENER;EPAM;25;0;"<a href=https://www.ebi.ac.uk/chembl/assay_report_card/CHEMBL3373671/  target=_blank>CHEMBL3373671</a>";;;;;;;;;-5;;;;;;;;;;;;"Iwata Y, Ando K, Taniguchi K, Koba N, Sugiura A, Sudo M.: Identification of a highly potent and selective CB2 agonist, RQ-00202730, for the treatment of irritable bowel syndrome. Bioorg Med Chem Lett, Volume 25 (2), 2015";ChEMBL
MM474138;MM474138;CN(C)CCn1c(CC(C)(C)C)nc2cc(S(=O)(=O)C3CN(CC(F)(F)F)C3)ccc21;MSGJPCGXFLUMET-UHFFFAOYSA-N;460.57;3.21;118722161;;;CHEMBL3357390;GENER;EPAM;25;0;"<a href=https://www.ebi.ac.uk/chembl/assay_report_card/CHEMBL3373671/  target=_blank>CHEMBL3373671</a>";;;;;;;;;-4.74;;;;;;;;;;;;"Iwata Y, Ando K, Taniguchi K, Koba N, Sugiura A, Sudo M.: Identification of a highly potent and selective CB2 agonist, RQ-00202730, for the treatment of irritable bowel syndrome. Bioorg Med Chem Lett, Volume 25 (2), 2015";ChEMBL
MM474139;MM474139;CN(C)CCn1c(CC(C)(C)C)nc2cc(S(=O)(=O)C3CN(CCO)C3)ccc21;OAYGNQGEUIFBFA-UHFFFAOYSA-N;422.6;1.64;46852212;;;CHEMBL3357391;GENER;EPAM;25;0;"<a href=https://www.ebi.ac.uk/chembl/assay_report_card/CHEMBL3373671/  target=_blank>CHEMBL3373671</a>";;;;;;;;;-5.82;;;;;;;;;;;;"Iwata Y, Ando K, Taniguchi K, Koba N, Sugiura A, Sudo M.: Identification of a highly potent and selective CB2 agonist, RQ-00202730, for the treatment of irritable bowel syndrome. Bioorg Med Chem Lett, Volume 25 (2), 2015";ChEMBL
MM474140;MM474140;CN(C)CCn1c(CC(C)(C)C)nc2cc(S(=O)(=O)C3CN(S(C)(=O)=O)C3)ccc21;JHHIKRYOCNHROC-UHFFFAOYSA-N;456.63;1.6;46852366;;;CHEMBL3357393;GENER;EPAM;25;0;"<a href=https://www.ebi.ac.uk/chembl/assay_report_card/CHEMBL3373671/  target=_blank>CHEMBL3373671</a>";;;;;;;;;-5.23;;;;;;;;;;;;"Iwata Y, Ando K, Taniguchi K, Koba N, Sugiura A, Sudo M.: Identification of a highly potent and selective CB2 agonist, RQ-00202730, for the treatment of irritable bowel syndrome. Bioorg Med Chem Lett, Volume 25 (2), 2015";ChEMBL
MM474129;MM474129;Cc1cc(C)cc(S(=O)(=O)c2c(C(=O)NC(C)c3ccncc3)[nH]c3ccc(Cl)cc23)c1;WOULWISOHTZRJX-MRXNPFEDSA-N;467.98;5.16;74538732;;;CHEMBL3358176;GENER;EPAM;25;0;"<a href=https://www.ebi.ac.uk/chembl/assay_report_card/CHEMBL3390761/  target=_blank>CHEMBL3390761</a>";;;;;;;;;-4.91;;;;;;;;;;;;"Famiglini V, La Regina G, Coluccia A, Pelliccia S, Brancale A, Maga G, Crespan E, Badia R, Riveira-Muñoz E, Esté JA, Ferretti R, Cirilli R, Zamperini C, Botta M, Schols D, Limongelli V, Agostino B, Novellino E, Silvestri R.: Indolylarylsulfones carrying a heterocyclic tail as very potent and broad spectrum HIV-1 non-nucleoside reverse transcriptase inhibitors. J Med Chem, Volume 57 (23), 2014";ChEMBL
MM473831;MM473831;O=C(NCCN1CCC(O)(Cc2ccc(F)cc2)CC1)Nc1ccnc2ccsc12;KYWALWWZQPDFMG-UHFFFAOYSA-N;428.53;3.63;86292101;;;CHEMBL3358687;GENER;EPAM;25;0;"<a href=https://www.ebi.ac.uk/chembl/assay_report_card/CHEMBL3382940/  target=_blank>CHEMBL3382940</a>";;;;;;;;;-7.57;;;;;;;;;;;;"Lim CJ, Oh SA, Lee BH, Oh KS, Yi KY.: Synthesis and SAR of thieno[3,2-b]pyridinyl urea derivatives as urotensin-II receptor antagonists. Bioorg Med Chem Lett, Volume 24 (24), 2014";ChEMBL
MM474483;MM474483;CC(Nc1c(C(N)=O)cnn2cccc12)C(C)(C)C;PNFSAIKBTUBIOW-SECBINFHSA-N;260.34;2.28;118723914;;;CHEMBL3359907;GENER;EPAM;25;0;"<a href=https://www.ebi.ac.uk/chembl/assay_report_card/CHEMBL3377604/  target=_blank>CHEMBL3377604</a>";;;;;;;;;-4.06;;;;;;;;;;;;"Duan JJ, Lu Z, Jiang B, Yang BV, Doweyko LM, Nirschl DS, Haque LE, Lin S, Brown G, Hynes J, Tokarski JS, Sack JS, Khan J, Lippy JS, Zhang RF, Pitt S, Shen G, Pitts WJ, Carter PH, Barrish JC, Nadler SG, Salter-Cid LM, McKinnon M, Fura A, Schieven GL, Wrobleski ST.: Discovery of pyrrolo[1,2-b]pyridazine-3-carboxamides as Janus kinase (JAK) inhibitors. Bioorg Med Chem Lett, Volume 24 (24), 2014";ChEMBL
MM474484;MM474484;CC1(F)CCCC1Nc1c(C(N)=O)cnn2cccc12;UPBRYBJZTWHUQK-RISCZKNCSA-N;276.32;2.13;68291752;;;CHEMBL3359927;GENER;EPAM;25;0;"<a href=https://www.ebi.ac.uk/chembl/assay_report_card/CHEMBL3377604/  target=_blank>CHEMBL3377604</a>";;;;;;;;;-4.12;;;;;;;;;;;;"Duan JJ, Lu Z, Jiang B, Yang BV, Doweyko LM, Nirschl DS, Haque LE, Lin S, Brown G, Hynes J, Tokarski JS, Sack JS, Khan J, Lippy JS, Zhang RF, Pitt S, Shen G, Pitts WJ, Carter PH, Barrish JC, Nadler SG, Salter-Cid LM, McKinnon M, Fura A, Schieven GL, Wrobleski ST.: Discovery of pyrrolo[1,2-b]pyridazine-3-carboxamides as Janus kinase (JAK) inhibitors. Bioorg Med Chem Lett, Volume 24 (24), 2014";ChEMBL
MM474134;MM474134;Cc1ccc2oc(=O)c(-c3ccc([N+](=O)[O-])cc3)cc2c1;XGJDMHWEDXLYCE-UHFFFAOYSA-N;281.27;3.68;;;;;GENER;EPAM;25;+1,-1;"<a href=https://www.ebi.ac.uk/chembl/assay_report_card/CHEMBL3377811/  target=_blank>CHEMBL3377811</a>";;;;;;;;;-4.98;;;;;;;;;;;;"Matos MJ, Rodríguez-Enríquez F, Vilar S, Santana L, Uriarte E, Hripcsak G, Estrada M, Rodríguez-Franco MI, Viña D.: Potent and selective MAO-B inhibitory activity: amino- versus nitro-3-arylcoumarin derivatives. Bioorg Med Chem Lett, Volume 25 (3), 2015";ChEMBL
MM471644;MM471644;COc1cc2[nH]c(C)c(-c3ccc(Cl)cc3C)c(=O)c2cc1Cl;RVFXNHKTJITXMU-UHFFFAOYSA-N;348.23;5.13;118724957;;;CHEMBL3361387;GENER;EPAM;25;0;"ph = 7.4, <a href=https://www.ebi.ac.uk/chembl/assay_report_card/CHEMBL3370143/  target=_blank>CHEMBL3370143</a>";;;;;;;;;-3.43;;;;;;;;;;;;"Cross RM, Flanigan DL, Monastyrskyi A, LaCrue AN, Sáenz FE, Maignan JR, Mutka TS, White KL, Shackleford DM, Bathurst I, Fronczek FR, Wojtas L, Guida WC, Charman SA, Burrows JN, Kyle DE, Manetsch R.: Orally bioavailable 6-chloro-7-methoxy-4(1H)-quinolones efficacious against multiple stages of Plasmodium. J Med Chem, Volume 57 (21), 2014";ChEMBL
MM471645;MM471645;COc1cc2[nH]c(C)c(-c3ccc(-c4ccc(C(F)(F)F)cc4F)nc3)c(=O)c2cc1Cl;UVTSZEAYMDMKSO-UHFFFAOYSA-N;462.83;6.39;101882803;;;CHEMBL3361394;GENER;EPAM;25;0;"ph = 7.4, <a href=https://www.ebi.ac.uk/chembl/assay_report_card/CHEMBL3370143/  target=_blank>CHEMBL3370143</a>";;;;;;;;;-2.97;;;;;;;;;;;;"Cross RM, Flanigan DL, Monastyrskyi A, LaCrue AN, Sáenz FE, Maignan JR, Mutka TS, White KL, Shackleford DM, Bathurst I, Fronczek FR, Wojtas L, Guida WC, Charman SA, Burrows JN, Kyle DE, Manetsch R.: Orally bioavailable 6-chloro-7-methoxy-4(1H)-quinolones efficacious against multiple stages of Plasmodium. J Med Chem, Volume 57 (21), 2014";ChEMBL
MM474365;MM474365;CC(C)Sc1nc(Nc2cccc(O)c2)c2cnn(CC(Cl)c3ccccc3)c2n1;UUXGWAWTZHFHHC-UHFFFAOYSA-N;439.97;5.76;118725880;;;CHEMBL3393071;GENER;EPAM;25;0;"<a href=https://www.ebi.ac.uk/chembl/assay_report_card/CHEMBL4268759/  target=_blank>CHEMBL4268759</a>";;;;;;;;;-5.34;;;;;;;;;;;;"Molinari A, Fallacara AL, Di Maria S, Zamperini C, Poggialini F, Musumeci F, Schenone S, Angelucci A, Colapietro A, Crespan E, Kissova M, Maga G, Botta M.: Efficient optimization of pyrazolo[3,4-d]pyrimidines derivatives as c-Src kinase inhibitors in neuroblastoma treatment. Bioorg Med Chem Lett, Volume 28 (21), 2018";ChEMBL
MM473219;MM473219;CSc1nc(Nc2ccccc2)c2cnn(CCc3ccccc3)c2n1;TWYBMYYYUNHDLF-UHFFFAOYSA-N;361.47;4.53;118725829;;;CHEMBL3393981;GENER;EPAM;25;0;"<a href=https://www.ebi.ac.uk/chembl/assay_report_card/CHEMBL3395763/  target=_blank>CHEMBL3395763</a>";;;;;;;;;-5.12;;;;;;;;;;;;"Tintori C, Fallacara AL, Radi M, Zamperini C, Dreassi E, Crespan E, Maga G, Schenone S, Musumeci F, Brullo C, Richters A, Gasparrini F, Angelucci A, Festuccia C, Delle Monache S, Rauh D, Botta M.: Combining X-ray crystallography and molecular modeling toward the optimization of pyrazolo[3,4-d]pyrimidines as potent c-Src inhibitors active in vivo against neuroblastoma. J Med Chem, Volume 58 (1), 2015";ChEMBL
MM473220;MM473220;CSc1nc(Nc2cccc(F)c2)c2cnn(CCc3ccccc3)c2n1;RSZTXRLXERZWOZ-UHFFFAOYSA-N;379.46;4.67;118725830;;;CHEMBL3393982;GENER;EPAM;25;0;"<a href=https://www.ebi.ac.uk/chembl/assay_report_card/CHEMBL3395763/  target=_blank>CHEMBL3395763</a>";;;;;;;;;-5.03;;;;;;;;;;;;"Tintori C, Fallacara AL, Radi M, Zamperini C, Dreassi E, Crespan E, Maga G, Schenone S, Musumeci F, Brullo C, Richters A, Gasparrini F, Angelucci A, Festuccia C, Delle Monache S, Rauh D, Botta M.: Combining X-ray crystallography and molecular modeling toward the optimization of pyrazolo[3,4-d]pyrimidines as potent c-Src inhibitors active in vivo against neuroblastoma. J Med Chem, Volume 58 (1), 2015";ChEMBL
MM473221;MM473221;CSc1nc(Nc2cccc(Br)c2)c2cnn(CCc3ccccc3)c2n1;QQPMWDIPJYJOBC-UHFFFAOYSA-N;440.37;5.3;118725831;;;CHEMBL3393983;GENER;EPAM;25;0;"<a href=https://www.ebi.ac.uk/chembl/assay_report_card/CHEMBL3395763/  target=_blank>CHEMBL3395763</a>";;;;;;;;;-5.49;;;;;;;;;;;;"Tintori C, Fallacara AL, Radi M, Zamperini C, Dreassi E, Crespan E, Maga G, Schenone S, Musumeci F, Brullo C, Richters A, Gasparrini F, Angelucci A, Festuccia C, Delle Monache S, Rauh D, Botta M.: Combining X-ray crystallography and molecular modeling toward the optimization of pyrazolo[3,4-d]pyrimidines as potent c-Src inhibitors active in vivo against neuroblastoma. J Med Chem, Volume 58 (1), 2015";ChEMBL
MM473222;MM473222;CSc1nc(Nc2cccc(O)c2)c2cnn(CCc3ccccc3)c2n1;UVACNPSFJYZFME-UHFFFAOYSA-N;377.47;4.24;118725832;;;CHEMBL3393984;GENER;EPAM;25;0;"<a href=https://www.ebi.ac.uk/chembl/assay_report_card/CHEMBL3395763/  target=_blank>CHEMBL3395763</a>";;;;;;;;;-5.28;;;;;;;;;;;;"Tintori C, Fallacara AL, Radi M, Zamperini C, Dreassi E, Crespan E, Maga G, Schenone S, Musumeci F, Brullo C, Richters A, Gasparrini F, Angelucci A, Festuccia C, Delle Monache S, Rauh D, Botta M.: Combining X-ray crystallography and molecular modeling toward the optimization of pyrazolo[3,4-d]pyrimidines as potent c-Src inhibitors active in vivo against neuroblastoma. J Med Chem, Volume 58 (1), 2015";ChEMBL
MM473223;MM473223;Clc1cccc(Nc2nc(SCCN3CCOCC3)nc3c2cnn3CCc2ccccc2)c1;QPZDOYCDYKNTMC-UHFFFAOYSA-N;495.05;4.89;118725833;;;CHEMBL3393985;GENER;EPAM;25;0;"<a href=https://www.ebi.ac.uk/chembl/assay_report_card/CHEMBL3395763/  target=_blank>CHEMBL3395763</a>";;;;;;;;;-5.46;;;;;;;;;;;;"Tintori C, Fallacara AL, Radi M, Zamperini C, Dreassi E, Crespan E, Maga G, Schenone S, Musumeci F, Brullo C, Richters A, Gasparrini F, Angelucci A, Festuccia C, Delle Monache S, Rauh D, Botta M.: Combining X-ray crystallography and molecular modeling toward the optimization of pyrazolo[3,4-d]pyrimidines as potent c-Src inhibitors active in vivo against neuroblastoma. J Med Chem, Volume 58 (1), 2015";ChEMBL
MM473224;MM473224;CCSc1nc(Nc2cccc(F)c2)c2cnn(CC(C)c3ccccc3)c2n1;NIAVOXWSIGNJIM-UHFFFAOYSA-N;407.52;5.62;118725866;;;CHEMBL3394075;GENER;EPAM;25;0;"<a href=https://www.ebi.ac.uk/chembl/assay_report_card/CHEMBL3395763/  target=_blank>CHEMBL3395763</a>";;;;;;;;;-5.76;;;;;;;;;;;;"Tintori C, Fallacara AL, Radi M, Zamperini C, Dreassi E, Crespan E, Maga G, Schenone S, Musumeci F, Brullo C, Richters A, Gasparrini F, Angelucci A, Festuccia C, Delle Monache S, Rauh D, Botta M.: Combining X-ray crystallography and molecular modeling toward the optimization of pyrazolo[3,4-d]pyrimidines as potent c-Src inhibitors active in vivo against neuroblastoma. J Med Chem, Volume 58 (1), 2015";ChEMBL
MM473225;MM473225;CCSc1nc(Nc2cccc(Cl)c2)c2cnn(CC(C)c3ccccc3)c2n1;NARPAPOKJAZNIR-UHFFFAOYSA-N;423.97;6.14;118725867;;;CHEMBL3394076;GENER;EPAM;25;0;"<a href=https://www.ebi.ac.uk/chembl/assay_report_card/CHEMBL3395763/  target=_blank>CHEMBL3395763</a>";;;;;;;;;-5.42;;;;;;;;;;;;"Tintori C, Fallacara AL, Radi M, Zamperini C, Dreassi E, Crespan E, Maga G, Schenone S, Musumeci F, Brullo C, Richters A, Gasparrini F, Angelucci A, Festuccia C, Delle Monache S, Rauh D, Botta M.: Combining X-ray crystallography and molecular modeling toward the optimization of pyrazolo[3,4-d]pyrimidines as potent c-Src inhibitors active in vivo against neuroblastoma. J Med Chem, Volume 58 (1), 2015";ChEMBL
MM473226;MM473226;CCSc1nc(Nc2cccc(Br)c2)c2cnn(CC(C)c3ccccc3)c2n1;DEQGVIVXEPZJRW-UHFFFAOYSA-N;468.42;6.25;118725868;;;CHEMBL3394077;GENER;EPAM;25;0;"<a href=https://www.ebi.ac.uk/chembl/assay_report_card/CHEMBL3395763/  target=_blank>CHEMBL3395763</a>";;;;;;;;;-5.69;;;;;;;;;;;;"Tintori C, Fallacara AL, Radi M, Zamperini C, Dreassi E, Crespan E, Maga G, Schenone S, Musumeci F, Brullo C, Richters A, Gasparrini F, Angelucci A, Festuccia C, Delle Monache S, Rauh D, Botta M.: Combining X-ray crystallography and molecular modeling toward the optimization of pyrazolo[3,4-d]pyrimidines as potent c-Src inhibitors active in vivo against neuroblastoma. J Med Chem, Volume 58 (1), 2015";ChEMBL
MM473227;MM473227;CCSc1nc(Nc2cccc(O)c2)c2cnn(CC(C)c3ccccc3)c2n1;CCXWTKZSYDAQLZ-UHFFFAOYSA-N;405.53;5.19;118725869;;;CHEMBL3394078;GENER;EPAM;25;0;"<a href=https://www.ebi.ac.uk/chembl/assay_report_card/CHEMBL3395763/  target=_blank>CHEMBL3395763</a>";;;;;;;;;-5.31;;;;;;;;;;;;"Tintori C, Fallacara AL, Radi M, Zamperini C, Dreassi E, Crespan E, Maga G, Schenone S, Musumeci F, Brullo C, Richters A, Gasparrini F, Angelucci A, Festuccia C, Delle Monache S, Rauh D, Botta M.: Combining X-ray crystallography and molecular modeling toward the optimization of pyrazolo[3,4-d]pyrimidines as potent c-Src inhibitors active in vivo against neuroblastoma. J Med Chem, Volume 58 (1), 2015";ChEMBL
MM473228;MM473228;CC(Cn1ncc2c(Nc3ccccc3)nc(SCCN3CCOCC3)nc21)c1ccccc1;XJFSIKHNSJQSFU-UHFFFAOYSA-N;474.63;4.8;118725870;;;CHEMBL3394079;GENER;EPAM;25;0;"<a href=https://www.ebi.ac.uk/chembl/assay_report_card/CHEMBL3395763/  target=_blank>CHEMBL3395763</a>";;;;;;;;;-5.44;;;;;;;;;;;;"Tintori C, Fallacara AL, Radi M, Zamperini C, Dreassi E, Crespan E, Maga G, Schenone S, Musumeci F, Brullo C, Richters A, Gasparrini F, Angelucci A, Festuccia C, Delle Monache S, Rauh D, Botta M.: Combining X-ray crystallography and molecular modeling toward the optimization of pyrazolo[3,4-d]pyrimidines as potent c-Src inhibitors active in vivo against neuroblastoma. J Med Chem, Volume 58 (1), 2015";ChEMBL
MM473229;MM473229;CC(Cn1ncc2c(Nc3cccc(F)c3)nc(SCCN3CCOCC3)nc21)c1ccccc1;MNVBUUPWWVLFBQ-UHFFFAOYSA-N;492.62;4.94;118725871;;;CHEMBL3394080;GENER;EPAM;25;0;"<a href=https://www.ebi.ac.uk/chembl/assay_report_card/CHEMBL3395763/  target=_blank>CHEMBL3395763</a>";;;;;;;;;-5.19;;;;;;;;;;;;"Tintori C, Fallacara AL, Radi M, Zamperini C, Dreassi E, Crespan E, Maga G, Schenone S, Musumeci F, Brullo C, Richters A, Gasparrini F, Angelucci A, Festuccia C, Delle Monache S, Rauh D, Botta M.: Combining X-ray crystallography and molecular modeling toward the optimization of pyrazolo[3,4-d]pyrimidines as potent c-Src inhibitors active in vivo against neuroblastoma. J Med Chem, Volume 58 (1), 2015";ChEMBL
MM473230;MM473230;CC(Cn1ncc2c(Nc3cccc(Cl)c3)nc(SCCN3CCOCC3)nc21)c1ccccc1;ZVBOQDFXWNGDLX-UHFFFAOYSA-N;509.08;5.45;118725872;;;CHEMBL3394081;GENER;EPAM;25;0;"<a href=https://www.ebi.ac.uk/chembl/assay_report_card/CHEMBL3395763/  target=_blank>CHEMBL3395763</a>";;;;;;;;;-5.26;;;;;;;;;;;;"Tintori C, Fallacara AL, Radi M, Zamperini C, Dreassi E, Crespan E, Maga G, Schenone S, Musumeci F, Brullo C, Richters A, Gasparrini F, Angelucci A, Festuccia C, Delle Monache S, Rauh D, Botta M.: Combining X-ray crystallography and molecular modeling toward the optimization of pyrazolo[3,4-d]pyrimidines as potent c-Src inhibitors active in vivo against neuroblastoma. J Med Chem, Volume 58 (1), 2015";ChEMBL
MM473231;MM473231;CSc1nc(Nc2cccc(O)c2)c2cnn(CC(Cl)c3ccccc3)c2n1;VADPBYPWJLBNMX-UHFFFAOYSA-N;411.92;4.98;118725875;;;CHEMBL3394083;GENER;EPAM;25;0;"<a href=https://www.ebi.ac.uk/chembl/assay_report_card/CHEMBL3395763/  target=_blank>CHEMBL3395763</a>";;;;;;;;;-5.23;;;;;;;;;;;;"Tintori C, Fallacara AL, Radi M, Zamperini C, Dreassi E, Crespan E, Maga G, Schenone S, Musumeci F, Brullo C, Richters A, Gasparrini F, Angelucci A, Festuccia C, Delle Monache S, Rauh D, Botta M.: Combining X-ray crystallography and molecular modeling toward the optimization of pyrazolo[3,4-d]pyrimidines as potent c-Src inhibitors active in vivo against neuroblastoma. J Med Chem, Volume 58 (1), 2015";ChEMBL
MM473232;MM473232;CCCCSc1nc(Nc2cccc(O)c2)c2cnn(CC(Cl)c3ccccc3)c2n1;IHSVKLJWXGPPOW-UHFFFAOYSA-N;454;6.15;118725876;;;CHEMBL3394084;GENER;EPAM;25;0;"<a href=https://www.ebi.ac.uk/chembl/assay_report_card/CHEMBL3395763/  target=_blank>CHEMBL3395763</a>";;;;;;;;;-5.46;;;;;;;;;;;;"Tintori C, Fallacara AL, Radi M, Zamperini C, Dreassi E, Crespan E, Maga G, Schenone S, Musumeci F, Brullo C, Richters A, Gasparrini F, Angelucci A, Festuccia C, Delle Monache S, Rauh D, Botta M.: Combining X-ray crystallography and molecular modeling toward the optimization of pyrazolo[3,4-d]pyrimidines as potent c-Src inhibitors active in vivo against neuroblastoma. J Med Chem, Volume 58 (1), 2015";ChEMBL
MM474259;MM474259;ClC(Cn1ncc2c(Nc3cccc(Br)c3)nc(SCCN3CCOCC3)nc21)c1ccccc1;;573.95;5.74;101913643;;;CHEMBL3394092;GENER;EPAM;25;0;"<a href=https://www.ebi.ac.uk/chembl/assay_report_card/CHEMBL4013498/  target=_blank>CHEMBL4013498</a>";;;;;;;;;-5.28;;;;;;;;;;;;"Vignaroli G, Iovenitti G, Zamperini C, Coniglio F, Calandro P, Molinari A, Fallacara AL, Sartucci A, Calgani A, Colecchia D, Mancini A, Festuccia C, Dreassi E, Valoti M, Musumeci F, Chiariello M, Angelucci A, Botta M, Schenone S.: Prodrugs of Pyrazolo[3,4-d]pyrimidines: From Library Synthesis to Evaluation as Potential Anticancer Agents in an Orthotopic Glioblastoma Model. J Med Chem, Volume 60 (14), 2017";ChEMBL
MM472070;MM472070;NCC1CCC(C(=O)NC(Cc2ccccc2)c2nc(-c3ccc4c(N)n[nH]c4c3)c(Cl)[nH]2)CC1;IOLSRAXZCKDSPO-FIKGOQFSSA-N;492.03;4.35;11684611;;;CHEMBL3398612;GENER;EPAM;25;0;"ph = 7.4, <a href=https://www.ebi.ac.uk/chembl/assay_report_card/CHEMBL3399898/  target=_blank>CHEMBL3399898</a>";;;;;;;;;-7.52;;;;;;;;;;;;"Pinto DJ, Smallheer JM, Corte JR, Austin EJ, Wang C, Fang T, Smith LM, Rossi KA, Rendina AR, Bozarth JM, Zhang G, Wei A, Ramamurthy V, Sheriff S, Myers JE, Morin PE, Luettgen JM, Seiffert DA, Quan ML, Wexler RR.: Structure-based design of inhibitors of coagulation factor XIa with novel P1 moieties. Bioorg Med Chem Lett, Volume 25 (7), 2015";ChEMBL
MM472071;MM472071;Nc1nccc2c1CCC(C(=O)NC(Cc1ccccc1)c1nc(-c3ccc4c(N)n[nH]c4c3)c(Cl)[nH]1)C2;ICSJXVUUSDNFIJ-YSYXNDDBSA-N;527.03;4.37;11497386;;;CHEMBL3398616;GENER;EPAM;25;0;"ph = 7.4, <a href=https://www.ebi.ac.uk/chembl/assay_report_card/CHEMBL3399898/  target=_blank>CHEMBL3399898</a>";;;;;;;;;-6.82;;;;;;;;;;;;"Pinto DJ, Smallheer JM, Corte JR, Austin EJ, Wang C, Fang T, Smith LM, Rossi KA, Rendina AR, Bozarth JM, Zhang G, Wei A, Ramamurthy V, Sheriff S, Myers JE, Morin PE, Luettgen JM, Seiffert DA, Quan ML, Wexler RR.: Structure-based design of inhibitors of coagulation factor XIa with novel P1 moieties. Bioorg Med Chem Lett, Volume 25 (7), 2015";ChEMBL
MM472072;MM472072;Nc1nccc2cc(C(=O)NC(Cc3ccccc3)c3nc(-c4ccc5c(N)n[nH]c5c4)c(Cl)[nH]3)ccc12;KWHJKKRXFUNBAJ-QFIPXVFZSA-N;523;5.03;11562699;;;CHEMBL3398617;GENER;EPAM;25;0;"ph = 7.4, <a href=https://www.ebi.ac.uk/chembl/assay_report_card/CHEMBL3399898/  target=_blank>CHEMBL3399898</a>";;;;;;;;;-5.42;;;;;;;;;;;;"Pinto DJ, Smallheer JM, Corte JR, Austin EJ, Wang C, Fang T, Smith LM, Rossi KA, Rendina AR, Bozarth JM, Zhang G, Wei A, Ramamurthy V, Sheriff S, Myers JE, Morin PE, Luettgen JM, Seiffert DA, Quan ML, Wexler RR.: Structure-based design of inhibitors of coagulation factor XIa with novel P1 moieties. Bioorg Med Chem Lett, Volume 25 (7), 2015";ChEMBL
MM472073;MM472073;CC1CCC(C(=O)NC(Cc2ccccc2)c2nc(-c3ccc4c(N)n[nH]c4c3)c(Cl)[nH]2)CC1;ZTZYRDIKEKUGBU-WJPUGNRLSA-N;477.01;5.41;118727595;;;CHEMBL3398621;GENER;EPAM;25;0;"ph = 7.4, <a href=https://www.ebi.ac.uk/chembl/assay_report_card/CHEMBL3399898/  target=_blank>CHEMBL3399898</a>";;;;;;;;;-6.34;;;;;;;;;;;;"Pinto DJ, Smallheer JM, Corte JR, Austin EJ, Wang C, Fang T, Smith LM, Rossi KA, Rendina AR, Bozarth JM, Zhang G, Wei A, Ramamurthy V, Sheriff S, Myers JE, Morin PE, Luettgen JM, Seiffert DA, Quan ML, Wexler RR.: Structure-based design of inhibitors of coagulation factor XIa with novel P1 moieties. Bioorg Med Chem Lett, Volume 25 (7), 2015";ChEMBL
MM472074;MM472074;Cc1ccc(C(=O)NC(Cc2ccccc2)c2nc(-c3ccc4c(N)n[nH]c4c3)c(Cl)[nH]2)c(F)c1;NVCGCCVEGKNTRF-NRFANRHFSA-N;488.95;5.35;118727596;;;CHEMBL3398624;GENER;EPAM;25;0;"ph = 7.4, <a href=https://www.ebi.ac.uk/chembl/assay_report_card/CHEMBL3399898/  target=_blank>CHEMBL3399898</a>";;;;;;;;;-4.26;;;;;;;;;;;;"Pinto DJ, Smallheer JM, Corte JR, Austin EJ, Wang C, Fang T, Smith LM, Rossi KA, Rendina AR, Bozarth JM, Zhang G, Wei A, Ramamurthy V, Sheriff S, Myers JE, Morin PE, Luettgen JM, Seiffert DA, Quan ML, Wexler RR.: Structure-based design of inhibitors of coagulation factor XIa with novel P1 moieties. Bioorg Med Chem Lett, Volume 25 (7), 2015";ChEMBL
MM472075;MM472075;COc1cc(F)c(C(=O)NC(Cc2ccccc2)c2nc(-c3ccc4c(N)n[nH]c4c3)c(Cl)[nH]2)c(F)c1;HNWLIQJSOKYYOW-FQEVSTJZSA-N;522.94;5.19;118727598;;;CHEMBL3398626;GENER;EPAM;25;0;"ph = 7.4, <a href=https://www.ebi.ac.uk/chembl/assay_report_card/CHEMBL3399898/  target=_blank>CHEMBL3399898</a>";;;;;;;;;-4.63;;;;;;;;;;;;"Pinto DJ, Smallheer JM, Corte JR, Austin EJ, Wang C, Fang T, Smith LM, Rossi KA, Rendina AR, Bozarth JM, Zhang G, Wei A, Ramamurthy V, Sheriff S, Myers JE, Morin PE, Luettgen JM, Seiffert DA, Quan ML, Wexler RR.: Structure-based design of inhibitors of coagulation factor XIa with novel P1 moieties. Bioorg Med Chem Lett, Volume 25 (7), 2015";ChEMBL
MM474489;MM474489;CC(C)CC1NC(=O)C(CC(C)C)NC(=O)C(Cc2ccc(O)cc2)NC(=O)C2CCCN2C(=O)C(CC(C)C)NC(=O)C(CC(C)C)NC1=O;PHOFITCOMWKZPM-PAQPNXMXSA-N;712.93;2.55;118728122;;;CHEMBL3400918;GENER;EPAM;25;0;"<a href=https://www.ebi.ac.uk/chembl/assay_report_card/CHEMBL3404986/  target=_blank>CHEMBL3404986</a>";;;;;;;;;-4.95;;;;;;;;;;;;"Thansandote P, Harris RM, Dexter HL, Simpson GL, Pal S, Upton RJ, Valko K.: Improving the passive permeability of macrocyclic peptides: Balancing permeability with other physicochemical properties. Bioorg Med Chem, Volume 23 (2), 2015";ChEMBL
MM474490;MM474490;CC(C)C[C@@H]1NC(=O)[C@@H](CC(C)C)NC(=O)[C@@H](CC(C)C)NC(=O)[C@H](Cc2ccc(O)cc2)NC(=O)[C@H]2CCCN2C(=O)[C@@H](CC(C)C)NC1=O;PHOFITCOMWKZPM-NIEMXSESSA-N;712.93;2.55;;;;;GENER;EPAM;25;0;"<a href=https://www.ebi.ac.uk/chembl/assay_report_card/CHEMBL3404986/  target=_blank>CHEMBL3404986</a>";;;;;;;;;-4.38;;;;;;;;;;;;"Thansandote P, Harris RM, Dexter HL, Simpson GL, Pal S, Upton RJ, Valko K.: Improving the passive permeability of macrocyclic peptides: Balancing permeability with other physicochemical properties. Bioorg Med Chem, Volume 23 (2), 2015";ChEMBL
MM474491;MM474491;CC(C)CC1NC(=O)C(CC(C)C)N(C)C(=O)C(CC(C)C)NC(=O)C(Cc2ccc(O)cc2)NC(=O)C2CCCN2C(=O)C(CC(C)C)NC1=O;OIEGVPNKEVPVSM-YTTLQHOZSA-N;726.96;2.89;118728124;;;CHEMBL3400920;GENER;EPAM;25;0;"<a href=https://www.ebi.ac.uk/chembl/assay_report_card/CHEMBL3404986/  target=_blank>CHEMBL3404986</a>";;;;;;;;;-4.84;;;;;;;;;;;;"Thansandote P, Harris RM, Dexter HL, Simpson GL, Pal S, Upton RJ, Valko K.: Improving the passive permeability of macrocyclic peptides: Balancing permeability with other physicochemical properties. Bioorg Med Chem, Volume 23 (2), 2015";ChEMBL
MM474492;MM474492;CC(C)CC1NC(=O)C(Cc2ccc(O)cc2)NC(=O)C2CCCN2C(=O)C(CC(C)C)NC(=O)C(CC(C)C)N(C)C(=O)C(CC(C)C)N(C)C1=O;CVDUKFSEKHYCQK-SKYWUHBASA-N;740.99;3.23;118728125;;;CHEMBL3400921;GENER;EPAM;25;0;"<a href=https://www.ebi.ac.uk/chembl/assay_report_card/CHEMBL3404986/  target=_blank>CHEMBL3404986</a>";;;;;;;;;-4.46;;;;;;;;;;;;"Thansandote P, Harris RM, Dexter HL, Simpson GL, Pal S, Upton RJ, Valko K.: Improving the passive permeability of macrocyclic peptides: Balancing permeability with other physicochemical properties. Bioorg Med Chem, Volume 23 (2), 2015";ChEMBL
MM474493;MM474493;CC(C)C[C@@H]1NC(=O)[C@H](Cc2ccc(O)cc2)N(C)C(=O)[C@@H]2CCCN2C(=O)[C@H](CC(C)C)NC(=O)[C@H](CC(C)C)N(C)C(=O)[C@@H](CC(C)C)N(C)C1=O;JULHAFBSUUZGPO-ULWXFTFZSA-N;755.01;3.57;;;;;GENER;EPAM;25;0;"<a href=https://www.ebi.ac.uk/chembl/assay_report_card/CHEMBL3404986/  target=_blank>CHEMBL3404986</a>";;;;;;;;;-4.44;;;;;;;;;;;;"Thansandote P, Harris RM, Dexter HL, Simpson GL, Pal S, Upton RJ, Valko K.: Improving the passive permeability of macrocyclic peptides: Balancing permeability with other physicochemical properties. Bioorg Med Chem, Volume 23 (2), 2015";ChEMBL
MM474494;MM474494;CC(C)CC1NC(=O)C(Cc2ccc(O)cc2)NC(=O)C2CCCN2C(=O)C(CC(C)C)NC(=O)C(C)(CC(C)C)NC(=O)C(CC(C)C)NC1=O;HIRDAILKAXNCRR-PMWFVCDYSA-N;726.96;2.94;118728127;;;CHEMBL3400923;GENER;EPAM;25;0;"<a href=https://www.ebi.ac.uk/chembl/assay_report_card/CHEMBL3404986/  target=_blank>CHEMBL3404986</a>";;;;;;;;;-4.46;;;;;;;;;;;;"Thansandote P, Harris RM, Dexter HL, Simpson GL, Pal S, Upton RJ, Valko K.: Improving the passive permeability of macrocyclic peptides: Balancing permeability with other physicochemical properties. Bioorg Med Chem, Volume 23 (2), 2015";ChEMBL
MM474495;MM474495;CC(C)CC1NC(=O)C(CC(C)C)NC(=O)C(C)(CC(C)C)NC(=O)C(Cc2ccc(O)cc2)NC(=O)C2CCCN2C(=O)C(CC(C)C)NC1=O;MFCOFPVASGPGAP-PMWFVCDYSA-N;726.96;2.94;118728128;;;CHEMBL3400924;GENER;EPAM;25;0;"<a href=https://www.ebi.ac.uk/chembl/assay_report_card/CHEMBL3404986/  target=_blank>CHEMBL3404986</a>";;;;;;;;;-4.77;;;;;;;;;;;;"Thansandote P, Harris RM, Dexter HL, Simpson GL, Pal S, Upton RJ, Valko K.: Improving the passive permeability of macrocyclic peptides: Balancing permeability with other physicochemical properties. Bioorg Med Chem, Volume 23 (2), 2015";ChEMBL
MM474496;MM474496;CC(C)CC1NC(=O)C(CC(C)C)NC(=O)C(Cc2ccc(O)cc2)NC(=O)C2CCCN2C(=O)C(CC(C)C)NC(=O)C(CC(C)C)NC(=O)C(CC(C)C)NC1=O;CAGXOAKFLBQSKR-SSYIFFNYSA-N;826.09;3.08;118728129;;;CHEMBL3400925;GENER;EPAM;25;0;"<a href=https://www.ebi.ac.uk/chembl/assay_report_card/CHEMBL3404986/  target=_blank>CHEMBL3404986</a>";;;;;;;;;-4.89;;;;;;;;;;;;"Thansandote P, Harris RM, Dexter HL, Simpson GL, Pal S, Upton RJ, Valko K.: Improving the passive permeability of macrocyclic peptides: Balancing permeability with other physicochemical properties. Bioorg Med Chem, Volume 23 (2), 2015";ChEMBL
MM474497;MM474497;CC(C)C[C@@H]1NC(=O)[C@@H](CC(C)C)NC(=O)[C@H](CC(C)C)NC(=O)[C@@](C)(CC(C)C)NC(=O)[C@H](Cc2ccc(O)cc2)NC(=O)[C@@H]2CCCN2C(=O)[C@H](CC(C)C)NC1=O;RZINQVIYBZHIHD-YKYIOPEWSA-N;840.12;3.47;;;;;GENER;EPAM;25;0;"<a href=https://www.ebi.ac.uk/chembl/assay_report_card/CHEMBL3404986/  target=_blank>CHEMBL3404986</a>";;;;;;;;;-4.52;;;;;;;;;;;;"Thansandote P, Harris RM, Dexter HL, Simpson GL, Pal S, Upton RJ, Valko K.: Improving the passive permeability of macrocyclic peptides: Balancing permeability with other physicochemical properties. Bioorg Med Chem, Volume 23 (2), 2015";ChEMBL
MM474498;MM474498;CC(C)CC1NC(=O)C(CC(C)C)NC(=O)C(Cc2ccc(O)cc2)NC(=O)C2CCCN2C(=O)C(CC(C)C)NC(=O)C(C)(CC(C)C)NC(=O)C(CC(C)C)NC1=O;KUTSDJSTTIEXKA-FRRQBWOTSA-N;840.12;3.47;118728131;;;CHEMBL3400927;GENER;EPAM;25;0;"<a href=https://www.ebi.ac.uk/chembl/assay_report_card/CHEMBL3404986/  target=_blank>CHEMBL3404986</a>";;;;;;;;;-4.73;;;;;;;;;;;;"Thansandote P, Harris RM, Dexter HL, Simpson GL, Pal S, Upton RJ, Valko K.: Improving the passive permeability of macrocyclic peptides: Balancing permeability with other physicochemical properties. Bioorg Med Chem, Volume 23 (2), 2015";ChEMBL
MM474499;MM474499;CC(C)CC1NC(=O)C(CC(C)C)NC(=O)C(C)(CC(C)C)NC(=O)C(Cc2ccc(O)cc2)NC(=O)C2CCCN2C(=O)C(CC(C)C)NC(=O)C(CC(C)C)NC1=O;RZINQVIYBZHIHD-XIBXOALJSA-N;840.12;3.47;118728132;;;CHEMBL3400928;GENER;EPAM;25;0;"<a href=https://www.ebi.ac.uk/chembl/assay_report_card/CHEMBL3404986/  target=_blank>CHEMBL3404986</a>";;;;;;;;;-4.52;;;;;;;;;;;;"Thansandote P, Harris RM, Dexter HL, Simpson GL, Pal S, Upton RJ, Valko K.: Improving the passive permeability of macrocyclic peptides: Balancing permeability with other physicochemical properties. Bioorg Med Chem, Volume 23 (2), 2015";ChEMBL
MM474500;MM474500;CC(C)CC1NC(=O)C(Cc2ccc(O)cc2)NC(=O)C2CCCN2C(=O)C(CC(C)C)NC(=O)C(CC(C)C)NC(=O)C(Cc2ccccc2)NC1=O;FWXXOKDDMUNAKF-LBBUGJAGSA-N;746.95;2.74;118728133;;;CHEMBL3400929;GENER;EPAM;25;0;"<a href=https://www.ebi.ac.uk/chembl/assay_report_card/CHEMBL3404986/  target=_blank>CHEMBL3404986</a>";;;;;;;;;-4.7;;;;;;;;;;;;"Thansandote P, Harris RM, Dexter HL, Simpson GL, Pal S, Upton RJ, Valko K.: Improving the passive permeability of macrocyclic peptides: Balancing permeability with other physicochemical properties. Bioorg Med Chem, Volume 23 (2), 2015";ChEMBL
MM474501;MM474501;CC(C)CC1NC(=O)C(Cc2ccc(O)cc2)NC(=O)C2CCCN2C(=O)C(CC(C)C)NC(=O)C(CC(C)C)NC(=O)C(Cc2ccccn2)NC1=O;OBVLEQWNERSLTA-CVUOCSEZSA-N;747.94;2.14;118728134;;;CHEMBL3400930;GENER;EPAM;25;0;"<a href=https://www.ebi.ac.uk/chembl/assay_report_card/CHEMBL3404986/  target=_blank>CHEMBL3404986</a>";;;;;;;;;-5.87;;;;;;;;;;;;"Thansandote P, Harris RM, Dexter HL, Simpson GL, Pal S, Upton RJ, Valko K.: Improving the passive permeability of macrocyclic peptides: Balancing permeability with other physicochemical properties. Bioorg Med Chem, Volume 23 (2), 2015";ChEMBL
MM474502;MM474502;CC(C)CC1NC(=O)C(CC(C)C)NC(=O)C(C(C)O)NC(=O)C(Cc2ccc(O)cc2)NC(=O)C2CCCN2C(=O)C(CC(C)C)NC1=O;SRJFDDZKPOKANN-DWJGBPRYSA-N;700.88;0.88;118728137;;;CHEMBL3400933;GENER;EPAM;25;0;"<a href=https://www.ebi.ac.uk/chembl/assay_report_card/CHEMBL3404986/  target=_blank>CHEMBL3404986</a>";;;;;;;;;-5.98;;;;;;;;;;;;"Thansandote P, Harris RM, Dexter HL, Simpson GL, Pal S, Upton RJ, Valko K.: Improving the passive permeability of macrocyclic peptides: Balancing permeability with other physicochemical properties. Bioorg Med Chem, Volume 23 (2), 2015";ChEMBL
MM471646;MM471646;O=C(O)CCCN1CC(C(=O)O)Oc2c(C=Cc3ccc(OCCCCc4ccccc4)cc3)cccc21;;515.61;5.78;23124680;;;CHEMBL3401687;GENER;EPAM;25;0;"ph = 6.2, <a href=https://www.ebi.ac.uk/chembl/assay_report_card/CHEMBL3404761/  target=_blank>CHEMBL3404761</a>";;;;;;;;;-5.96;;;;;;;;;;;;"Itadani S, Takahashi S, Ima M, Sekiguchi T, Aratani Y, Egashira H, Matsumura N, Inoue A, Yonetomi Y, Fujita M, Nakayama Y, Takeuchi J.: Discovery of a potent, orally available dual CysLT₁ and CysLT₂ antagonist with dicarboxylic acid. Bioorg Med Chem, Volume 23 (9), 2015";ChEMBL
MM471646;MM471646;O=C(O)CCCN1CC(C(=O)O)Oc2c(C=Cc3ccc(OCCCCc4ccccc4)cc3)cccc21;;515.61;5.78;23124680;;;CHEMBL3401687;GENER;EPAM;25;0;"ph = 7.4, <a href=https://www.ebi.ac.uk/chembl/assay_report_card/CHEMBL3404762/  target=_blank>CHEMBL3404762</a>";;;;;;;;;-7;;;;;;;;;;;;"Itadani S, Takahashi S, Ima M, Sekiguchi T, Aratani Y, Egashira H, Matsumura N, Inoue A, Yonetomi Y, Fujita M, Nakayama Y, Takeuchi J.: Discovery of a potent, orally available dual CysLT₁ and CysLT₂ antagonist with dicarboxylic acid. Bioorg Med Chem, Volume 23 (9), 2015";ChEMBL
MM472452;MM472452;O=C(O)CCCN1CC(C(=O)O)Oc2c(C=Cc3ccc(OCCCCOc4ccccc4)cc3)cccc21;KQXMBUWEISAGDL-DTQAZKPQSA-N;531.61;5.61;11455387;;;CHEMBL3403187;GENER;EPAM;25;0;"ph = 6.2, <a href=https://www.ebi.ac.uk/chembl/assay_report_card/CHEMBL3404761/  target=_blank>CHEMBL3404761</a>";;;;;;;;;-5.11;;;;;;;;;;;;"Itadani S, Takahashi S, Ima M, Sekiguchi T, Aratani Y, Egashira H, Matsumura N, Inoue A, Yonetomi Y, Fujita M, Nakayama Y, Takeuchi J.: Discovery of a potent, orally available dual CysLT₁ and CysLT₂ antagonist with dicarboxylic acid. Bioorg Med Chem, Volume 23 (9), 2015";ChEMBL
MM471647;MM471647;O=C(O)CCCn1cc(C(=O)O)c(=O)c2c(C=Cc3ccc(OCCCCOc4ccccc4)cc3)cccc21;;541.6;5.97;118729614;;;CHEMBL3403188;GENER;EPAM;25;0;"ph = 6.2, <a href=https://www.ebi.ac.uk/chembl/assay_report_card/CHEMBL3404761/  target=_blank>CHEMBL3404761</a>";;;;;;;;;-4.89;;;;;;;;;;;;"Itadani S, Takahashi S, Ima M, Sekiguchi T, Aratani Y, Egashira H, Matsumura N, Inoue A, Yonetomi Y, Fujita M, Nakayama Y, Takeuchi J.: Discovery of a potent, orally available dual CysLT₁ and CysLT₂ antagonist with dicarboxylic acid. Bioorg Med Chem, Volume 23 (9), 2015";ChEMBL
MM471647;MM471647;O=C(O)CCCn1cc(C(=O)O)c(=O)c2c(C=Cc3ccc(OCCCCOc4ccccc4)cc3)cccc21;;541.6;5.97;118729614;;;CHEMBL3403188;GENER;EPAM;25;0;"ph = 7.4, <a href=https://www.ebi.ac.uk/chembl/assay_report_card/CHEMBL3404762/  target=_blank>CHEMBL3404762</a>";;;;;;;;;-4.92;;;;;;;;;;;;"Itadani S, Takahashi S, Ima M, Sekiguchi T, Aratani Y, Egashira H, Matsumura N, Inoue A, Yonetomi Y, Fujita M, Nakayama Y, Takeuchi J.: Discovery of a potent, orally available dual CysLT₁ and CysLT₂ antagonist with dicarboxylic acid. Bioorg Med Chem, Volume 23 (9), 2015";ChEMBL
MM472453;MM472453;O=C(O)CCCOc1nc2cccc(C=Cc3ccc(OCCCCOc4ccccc4)cc3)c2nc1C(=O)O;WNCBAUIHJHOYFZ-DTQAZKPQSA-N;542.59;5.98;118729615;;;CHEMBL3403189;GENER;EPAM;25;0;"ph = 6.2, <a href=https://www.ebi.ac.uk/chembl/assay_report_card/CHEMBL3404761/  target=_blank>CHEMBL3404761</a>";;;;;;;;;-4.96;;;;;;;;;;;;"Itadani S, Takahashi S, Ima M, Sekiguchi T, Aratani Y, Egashira H, Matsumura N, Inoue A, Yonetomi Y, Fujita M, Nakayama Y, Takeuchi J.: Discovery of a potent, orally available dual CysLT₁ and CysLT₂ antagonist with dicarboxylic acid. Bioorg Med Chem, Volume 23 (9), 2015";ChEMBL
MM471648;MM471648;O=C(O)CCCn1cc(CC(=O)O)c2c(C=Cc3ccc(OCCCCOc4ccccc4)cc3)cccc21;;527.62;6.54;11853184;;;CHEMBL3403190;GENER;EPAM;25;0;"ph = 6.2, <a href=https://www.ebi.ac.uk/chembl/assay_report_card/CHEMBL3404761/  target=_blank>CHEMBL3404761</a>";;;;;;;;;-5.16;;;;;;;;;;;;"Itadani S, Takahashi S, Ima M, Sekiguchi T, Aratani Y, Egashira H, Matsumura N, Inoue A, Yonetomi Y, Fujita M, Nakayama Y, Takeuchi J.: Discovery of a potent, orally available dual CysLT₁ and CysLT₂ antagonist with dicarboxylic acid. Bioorg Med Chem, Volume 23 (9), 2015";ChEMBL
MM471648;MM471648;O=C(O)CCCn1cc(CC(=O)O)c2c(C=Cc3ccc(OCCCCOc4ccccc4)cc3)cccc21;;527.62;6.54;11853184;;;CHEMBL3403190;GENER;EPAM;25;0;"ph = 7.4, <a href=https://www.ebi.ac.uk/chembl/assay_report_card/CHEMBL3404762/  target=_blank>CHEMBL3404762</a>";;;;;;;;;-6.1;;;;;;;;;;;;"Itadani S, Takahashi S, Ima M, Sekiguchi T, Aratani Y, Egashira H, Matsumura N, Inoue A, Yonetomi Y, Fujita M, Nakayama Y, Takeuchi J.: Discovery of a potent, orally available dual CysLT₁ and CysLT₂ antagonist with dicarboxylic acid. Bioorg Med Chem, Volume 23 (9), 2015";ChEMBL
MM471648;MM471648;O=C(O)CCCn1cc(CC(=O)O)c2c(C=Cc3ccc(OCCCCOc4ccccc4)cc3)cccc21;;527.62;6.54;11853184;;;CHEMBL3403190;GENER;EPAM;25;0;"ph = 6.2, <a href=https://www.ebi.ac.uk/chembl/assay_report_card/CHEMBL3599263/  target=_blank>CHEMBL3599263</a>";;;;;;;;;-5.16;;;;;;;;;;;;"Itadani S, Yashiro K, Aratani Y, Sekiguchi T, Kinoshita A, Moriguchi H, Ohta N, Takahashi S, Ishida A, Tajima Y, Hisaichi K, Ima M, Ueda J, Egashira H, Sekioka T, Kadode M, Yonetomi Y, Nakao T, Inoue A, Nomura H, Kitamine T, Fujita M, Nabe T, Yamaura Y, Matsumura N, Imagawa A, Nakayama Y, Takeuchi J, Ohmoto K.: Discovery of Gemilukast (ONO-6950), a Dual CysLT1 and CysLT2 Antagonist As a Therapeutic Agent for Asthma. J Med Chem, Volume 58 (15), 2015";ChEMBL
MM471648;MM471648;O=C(O)CCCn1cc(CC(=O)O)c2c(C=Cc3ccc(OCCCCOc4ccccc4)cc3)cccc21;;527.62;6.54;11853184;;;CHEMBL3403190;GENER;EPAM;25;0;"ph = 7.4, <a href=https://www.ebi.ac.uk/chembl/assay_report_card/CHEMBL3599264/  target=_blank>CHEMBL3599264</a>";;;;;;;;;-5.74;;;;;;;;;;;;"Itadani S, Yashiro K, Aratani Y, Sekiguchi T, Kinoshita A, Moriguchi H, Ohta N, Takahashi S, Ishida A, Tajima Y, Hisaichi K, Ima M, Ueda J, Egashira H, Sekioka T, Kadode M, Yonetomi Y, Nakao T, Inoue A, Nomura H, Kitamine T, Fujita M, Nabe T, Yamaura Y, Matsumura N, Imagawa A, Nakayama Y, Takeuchi J, Ohmoto K.: Discovery of Gemilukast (ONO-6950), a Dual CysLT1 and CysLT2 Antagonist As a Therapeutic Agent for Asthma. J Med Chem, Volume 58 (15), 2015";ChEMBL
MM472738;MM472738;CC(C)C[C@@H]1NC(=O)[C@H](CC(C)C)NC(=O)[C@@H](CC(C)C)NC(=O)[C@H](Cc2ccc(O)cc2)NC(=O)[C@@H]2CCCN2C(=O)[C@H](CC(C)C)NC1=O;;712.93;2.55;;;;CHEMBL3403637;GENER;EPAM;25;0;"<a href=https://www.ebi.ac.uk/chembl/assay_report_card/CHEMBL3404986/  target=_blank>CHEMBL3404986</a>";;;;;;;;;-5.39;;;;;;;;;;;;"Thansandote P, Harris RM, Dexter HL, Simpson GL, Pal S, Upton RJ, Valko K.: Improving the passive permeability of macrocyclic peptides: Balancing permeability with other physicochemical properties. Bioorg Med Chem, Volume 23 (2), 2015";ChEMBL
MM473238;MM473238;COc1cc(C)c(-c2cnc3[nH]c(-c4c(F)cccc4Cl)cc3c2)cn1;LKTNVFPJFKZIFM-UHFFFAOYSA-N;367.81;5.4;75202944;;;CHEMBL3403751;GENER;EPAM;25;0;"<a href=https://www.ebi.ac.uk/chembl/assay_report_card/CHEMBL3405054/  target=_blank>CHEMBL3405054</a>";;;;;;;;;-7;;;;;;;;;;;;"Esteve C, González J, Gual S, Vidal L, Alzina S, Sentellas S, Jover I, Horrillo R, De Alba J, Miralpeix M, Tarrasón G, Vidal B.: Discovery of 7-azaindole derivatives as potent Orai inhibitors showing efficacy in a preclinical model of asthma. Bioorg Med Chem Lett, Volume 25 (6), 2015";ChEMBL
MM473239;MM473239;COc1cc(OC)c(-c2cnc3[nH]c(-c4c(F)cccc4Cl)cc3c2)cn1;LGHQYQBHWZQKIB-UHFFFAOYSA-N;383.81;5.1;90184724;;;CHEMBL3403753;GENER;EPAM;25;0;"<a href=https://www.ebi.ac.uk/chembl/assay_report_card/CHEMBL3405054/  target=_blank>CHEMBL3405054</a>";;;;;;;;;-6.18;;;;;;;;;;;;"Esteve C, González J, Gual S, Vidal L, Alzina S, Sentellas S, Jover I, Horrillo R, De Alba J, Miralpeix M, Tarrasón G, Vidal B.: Discovery of 7-azaindole derivatives as potent Orai inhibitors showing efficacy in a preclinical model of asthma. Bioorg Med Chem Lett, Volume 25 (6), 2015";ChEMBL
MM474503;MM474503;COC(=O)Nc1ccc(S(=O)(=O)C(C)C)c(C2CCCN2C(=O)C(Nc2ccc3c(c2)C(=O)NCC3)c2cc(OC)c(OC)cc2F)c1;FWNNISODMWKWHU-DLFZDVPBSA-N;682.77;5.01;118733883;;;CHEMBL3416136;GENER;EPAM;25;0;"<a href=https://www.ebi.ac.uk/chembl/assay_report_card/CHEMBL3420604/  target=_blank>CHEMBL3420604</a>";;;;;;;;;-5.74;;;;;;;;;;;;"Cheney DL, Bozarth JM, Metzler WJ, Morin PE, Mueller L, Newitt JA, Nirschl AH, Rendina AR, Tamura JK, Wei A, Wen X, Wurtz NR, Seiffert DA, Wexler RR, Priestley ES.: Discovery of novel P1 groups for coagulation factor VIIa inhibition using fragment-based screening. J Med Chem, Volume 58 (6), 2015";ChEMBL
MM471396;MM471396;OCC1OC(Oc2ccc(-c3ccc(-c4nn[nH]n4)cc3)cc2)C(O)C(O)C1O;;400.39;-0.29;70895820;;;CHEMBL3417099;GENER;EPAM;25;0;"ph = 5, <a href=https://www.ebi.ac.uk/chembl/assay_report_card/CHEMBL3418233/  target=_blank>CHEMBL3418233</a>";;;;;;;;;-9.3;;;;;;;;;;;;"Kleeb S, Pang L, Mayer K, Eris D, Sigl A, Preston RC, Zihlmann P, Sharpe T, Jakob RP, Abgottspon D, Hutter AS, Scharenberg M, Jiang X, Navarra G, Rabbani S, Smiesko M, Lüdin N, Bezençon J, Schwardt O, Maier T, Ernst B.: FimH antagonists: bioisosteres to improve the in vitro and in vivo PK/PD profile. J Med Chem, Volume 58 (5), 2015";ChEMBL
MM471396;MM471396;OCC1OC(Oc2ccc(-c3ccc(-c4nn[nH]n4)cc3)cc2)C(O)C(O)C1O;;400.39;-0.29;70895820;;;CHEMBL3417099;GENER;EPAM;25;0;"ph = 7.4, <a href=https://www.ebi.ac.uk/chembl/assay_report_card/CHEMBL3419536/  target=_blank>CHEMBL3419536</a>";;;;;;;;;-8.8;;;;;;;;;;;;"Kleeb S, Pang L, Mayer K, Eris D, Sigl A, Preston RC, Zihlmann P, Sharpe T, Jakob RP, Abgottspon D, Hutter AS, Scharenberg M, Jiang X, Navarra G, Rabbani S, Smiesko M, Lüdin N, Bezençon J, Schwardt O, Maier T, Ernst B.: FimH antagonists: bioisosteres to improve the in vitro and in vivo PK/PD profile. J Med Chem, Volume 58 (5), 2015";ChEMBL
MM471397;MM471397;N#CNC(=O)c1ccc(-c2ccc(OC3OC(CO)C(O)C(O)C3O)cc2)cc1;;400.39;-0.26;118734567;;;CHEMBL3417100;GENER;EPAM;25;0;"ph = 5, <a href=https://www.ebi.ac.uk/chembl/assay_report_card/CHEMBL3418233/  target=_blank>CHEMBL3418233</a>";;;;;;;;;-6.8;;;;;;;;;;;;"Kleeb S, Pang L, Mayer K, Eris D, Sigl A, Preston RC, Zihlmann P, Sharpe T, Jakob RP, Abgottspon D, Hutter AS, Scharenberg M, Jiang X, Navarra G, Rabbani S, Smiesko M, Lüdin N, Bezençon J, Schwardt O, Maier T, Ernst B.: FimH antagonists: bioisosteres to improve the in vitro and in vivo PK/PD profile. J Med Chem, Volume 58 (5), 2015";ChEMBL
MM471397;MM471397;N#CNC(=O)c1ccc(-c2ccc(OC3OC(CO)C(O)C(O)C3O)cc2)cc1;;400.39;-0.26;118734567;;;CHEMBL3417100;GENER;EPAM;25;0;"ph = 7.4, <a href=https://www.ebi.ac.uk/chembl/assay_report_card/CHEMBL3419536/  target=_blank>CHEMBL3419536</a>";;;;;;;;;-7;;;;;;;;;;;;"Kleeb S, Pang L, Mayer K, Eris D, Sigl A, Preston RC, Zihlmann P, Sharpe T, Jakob RP, Abgottspon D, Hutter AS, Scharenberg M, Jiang X, Navarra G, Rabbani S, Smiesko M, Lüdin N, Bezençon J, Schwardt O, Maier T, Ernst B.: FimH antagonists: bioisosteres to improve the in vitro and in vivo PK/PD profile. J Med Chem, Volume 58 (5), 2015";ChEMBL
MM471398;MM471398;N#Cc1ccc(-c2ccc(OC3OC(CO)C(O)C(O)C3O)c(Cl)c2)cc1;;391.81;1.06;90642931;;;CHEMBL3417101;GENER;EPAM;25;0;"ph = 7.4, <a href=https://www.ebi.ac.uk/chembl/assay_report_card/CHEMBL4015741/  target=_blank>CHEMBL4015741</a>";;;;;;;;;-5.2;;;;;;;;;;;;"Mayer K, Eris D, Schwardt O, Sager CP, Rabbani S, Kleeb S, Ernst B.: Urinary Tract Infection: Which Conformation of the Bacterial Lectin FimH Is Therapeutically Relevant? J Med Chem, Volume 60 (13), 2017";ChEMBL
MM471398;MM471398;N#Cc1ccc(-c2ccc(OC3OC(CO)C(O)C(O)C3O)c(Cl)c2)cc1;;391.81;1.06;90642931;;;CHEMBL3417101;GENER;EPAM;25;0;"ph = 7.4, <a href=https://www.ebi.ac.uk/chembl/assay_report_card/CHEMBL3419536/  target=_blank>CHEMBL3419536</a>";;;;;;;;;-5.2;;;;;;;;;;;;"Kleeb S, Pang L, Mayer K, Eris D, Sigl A, Preston RC, Zihlmann P, Sharpe T, Jakob RP, Abgottspon D, Hutter AS, Scharenberg M, Jiang X, Navarra G, Rabbani S, Smiesko M, Lüdin N, Bezençon J, Schwardt O, Maier T, Ernst B.: FimH antagonists: bioisosteres to improve the in vitro and in vivo PK/PD profile. J Med Chem, Volume 58 (5), 2015";ChEMBL
MM471389;MM471389;NC(=O)c1ccc(-c2ccc(OC3OC(CO)C(O)C(O)C3O)cc2)cc1;IDLZIWXYDQEECE-GJGATLCTSA-N;375.38;-0.37;118734568;;;CHEMBL3417103;GENER;EPAM;25;0;"ph = 7.4, <a href=https://www.ebi.ac.uk/chembl/assay_report_card/CHEMBL3419536/  target=_blank>CHEMBL3419536</a>";;;;;;;;;-6.8;;;;;;;;;;;;"Kleeb S, Pang L, Mayer K, Eris D, Sigl A, Preston RC, Zihlmann P, Sharpe T, Jakob RP, Abgottspon D, Hutter AS, Scharenberg M, Jiang X, Navarra G, Rabbani S, Smiesko M, Lüdin N, Bezençon J, Schwardt O, Maier T, Ernst B.: FimH antagonists: bioisosteres to improve the in vitro and in vivo PK/PD profile. J Med Chem, Volume 58 (5), 2015";ChEMBL
MM471390;MM471390;CNC(=O)c1ccc(-c2ccc(OC3OC(CO)C(O)C(O)C3O)cc2)cc1;ZJRAHAOGKBGQKG-JGLNRKDHSA-N;389.4;-0.11;118734569;;;CHEMBL3417104;GENER;EPAM;25;0;"ph = 7.4, <a href=https://www.ebi.ac.uk/chembl/assay_report_card/CHEMBL3419536/  target=_blank>CHEMBL3419536</a>";;;;;;;;;-9.2;;;;;;;;;;;;"Kleeb S, Pang L, Mayer K, Eris D, Sigl A, Preston RC, Zihlmann P, Sharpe T, Jakob RP, Abgottspon D, Hutter AS, Scharenberg M, Jiang X, Navarra G, Rabbani S, Smiesko M, Lüdin N, Bezençon J, Schwardt O, Maier T, Ernst B.: FimH antagonists: bioisosteres to improve the in vitro and in vivo PK/PD profile. J Med Chem, Volume 58 (5), 2015";ChEMBL
MM471391;MM471391;O=C(c1ccc(-c2ccc(OC3OC(CO)C(O)C(O)C3O)cc2)cc1)N1CCOCC1;KXOHNGPGIAFVME-RBRWEJTLSA-N;445.47;;70895873;;;CHEMBL3417105;GENER;EPAM;25;0;"ph = 7.4, <a href=https://www.ebi.ac.uk/chembl/assay_report_card/CHEMBL3419536/  target=_blank>CHEMBL3419536</a>";;;;;;;;;-7.8;;;;;;;;;;;;"Kleeb S, Pang L, Mayer K, Eris D, Sigl A, Preston RC, Zihlmann P, Sharpe T, Jakob RP, Abgottspon D, Hutter AS, Scharenberg M, Jiang X, Navarra G, Rabbani S, Smiesko M, Lüdin N, Bezençon J, Schwardt O, Maier T, Ernst B.: FimH antagonists: bioisosteres to improve the in vitro and in vivo PK/PD profile. J Med Chem, Volume 58 (5), 2015";ChEMBL
MM471392;MM471392;CS(=O)(=O)c1ccc(-c2ccc(OC3OC(CO)C(O)C(O)C3O)cc2)cc1;LBNMSMJAVMIAAT-GFEQUFNTSA-N;410.44;-0.06;67258811;;;CHEMBL3417106;GENER;EPAM;25;0;"ph = 7.4, <a href=https://www.ebi.ac.uk/chembl/assay_report_card/CHEMBL3419536/  target=_blank>CHEMBL3419536</a>";;;;;;;;;-7.2;;;;;;;;;;;;"Kleeb S, Pang L, Mayer K, Eris D, Sigl A, Preston RC, Zihlmann P, Sharpe T, Jakob RP, Abgottspon D, Hutter AS, Scharenberg M, Jiang X, Navarra G, Rabbani S, Smiesko M, Lüdin N, Bezençon J, Schwardt O, Maier T, Ernst B.: FimH antagonists: bioisosteres to improve the in vitro and in vivo PK/PD profile. J Med Chem, Volume 58 (5), 2015";ChEMBL
MM471393;MM471393;CNS(=O)(=O)c1ccc(-c2ccc(OC3OC(CO)C(O)C(O)C3O)cc2)cc1;CVQPQNFDTNLHAE-GFEQUFNTSA-N;425.46;-0.56;67261671;;;CHEMBL3417107;GENER;EPAM;25;0;"ph = 7.4, <a href=https://www.ebi.ac.uk/chembl/assay_report_card/CHEMBL3419536/  target=_blank>CHEMBL3419536</a>";;;;;;;;;-8.6;;;;;;;;;;;;"Kleeb S, Pang L, Mayer K, Eris D, Sigl A, Preston RC, Zihlmann P, Sharpe T, Jakob RP, Abgottspon D, Hutter AS, Scharenberg M, Jiang X, Navarra G, Rabbani S, Smiesko M, Lüdin N, Bezençon J, Schwardt O, Maier T, Ernst B.: FimH antagonists: bioisosteres to improve the in vitro and in vivo PK/PD profile. J Med Chem, Volume 58 (5), 2015";ChEMBL
MM471394;MM471394;OCC1OC(Oc2ccc(-c3cc(F)c(O)c(F)c3)cc2)C(O)C(O)C1O;;384.33;0.52;67258443;;;CHEMBL3417108;GENER;EPAM;25;0;"ph = 5, <a href=https://www.ebi.ac.uk/chembl/assay_report_card/CHEMBL3418233/  target=_blank>CHEMBL3418233</a>";;;;;;;;;-7.7;;;;;;;;;;;;"Kleeb S, Pang L, Mayer K, Eris D, Sigl A, Preston RC, Zihlmann P, Sharpe T, Jakob RP, Abgottspon D, Hutter AS, Scharenberg M, Jiang X, Navarra G, Rabbani S, Smiesko M, Lüdin N, Bezençon J, Schwardt O, Maier T, Ernst B.: FimH antagonists: bioisosteres to improve the in vitro and in vivo PK/PD profile. J Med Chem, Volume 58 (5), 2015";ChEMBL
MM471394;MM471394;OCC1OC(Oc2ccc(-c3cc(F)c(O)c(F)c3)cc2)C(O)C(O)C1O;;384.33;0.52;67258443;;;CHEMBL3417108;GENER;EPAM;25;0;"ph = 7.4, <a href=https://www.ebi.ac.uk/chembl/assay_report_card/CHEMBL3419536/  target=_blank>CHEMBL3419536</a>";;;;;;;;;-8.8;;;;;;;;;;;;"Kleeb S, Pang L, Mayer K, Eris D, Sigl A, Preston RC, Zihlmann P, Sharpe T, Jakob RP, Abgottspon D, Hutter AS, Scharenberg M, Jiang X, Navarra G, Rabbani S, Smiesko M, Lüdin N, Bezençon J, Schwardt O, Maier T, Ernst B.: FimH antagonists: bioisosteres to improve the in vitro and in vivo PK/PD profile. J Med Chem, Volume 58 (5), 2015";ChEMBL
MM474504;MM474504;COc1ccc(Oc2ccc(S(=O)(=O)C3(C(=O)NO)CCC4(CCNCC4)C3)cc2)cc1;GHWPTWVNZOSEBR-UHFFFAOYSA-N;460.55;3.06;72948808;;;CHEMBL3417742;GENER;EPAM;25;0;"<a href=https://www.ebi.ac.uk/chembl/assay_report_card/CHEMBL3419063/  target=_blank>CHEMBL3419063</a>";;;;;;;;;-9.05;;;;;;;;;;;;"Orbe J, Sánchez-Arias JA, Rabal O, Rodríguez JA, Salicio A, Ugarte A, Belzunce M, Xu M, Wu W, Tan H, Ma H, Páramo JA, Oyarzabal J.: Design, synthesis, and biological evaluation of novel matrix metalloproteinase inhibitors as potent antihemorrhagic agents: from hit identification to an optimized lead. J Med Chem, Volume 58 (5), 2015";ChEMBL
MM474505;MM474505;O=C(NO)C1(S(=O)(=O)c2ccc(Oc3ccc(OC(F)(F)F)cc3)cc2)CCC2(CCNCC2)C1;PJTIDEQBVYCKIC-UHFFFAOYSA-N;514.52;3.95;118179819;;;CHEMBL3417745;GENER;EPAM;25;0;"<a href=https://www.ebi.ac.uk/chembl/assay_report_card/CHEMBL3419063/  target=_blank>CHEMBL3419063</a>";;;;;;;;;-9.15;;;;;;;;;;;;"Orbe J, Sánchez-Arias JA, Rabal O, Rodríguez JA, Salicio A, Ugarte A, Belzunce M, Xu M, Wu W, Tan H, Ma H, Páramo JA, Oyarzabal J.: Design, synthesis, and biological evaluation of novel matrix metalloproteinase inhibitors as potent antihemorrhagic agents: from hit identification to an optimized lead. J Med Chem, Volume 58 (5), 2015";ChEMBL
MM474506;MM474506;CNC(=O)c1ccc(Oc2ccc(S(=O)(=O)C3(C(=O)NO)CCC4(CCNCC4)C3)cc2)cc1;ZUZGJCNWNOCKEB-UHFFFAOYSA-N;487.58;2.41;72720906;;;CHEMBL3417751;GENER;EPAM;25;0;"<a href=https://www.ebi.ac.uk/chembl/assay_report_card/CHEMBL3419063/  target=_blank>CHEMBL3419063</a>";;;;;;;;;-9;;;;;;;;;;;;"Orbe J, Sánchez-Arias JA, Rabal O, Rodríguez JA, Salicio A, Ugarte A, Belzunce M, Xu M, Wu W, Tan H, Ma H, Páramo JA, Oyarzabal J.: Design, synthesis, and biological evaluation of novel matrix metalloproteinase inhibitors as potent antihemorrhagic agents: from hit identification to an optimized lead. J Med Chem, Volume 58 (5), 2015";ChEMBL
MM474507;MM474507;COc1ccc(C(=O)Oc2ccc(S(=O)(=O)C3(C(=O)NO)CCC4(CCNCC4)C3)cc2)cc1;AYPBWVMVAOAQCE-UHFFFAOYSA-N;488.56;2.49;72948995;;;CHEMBL3417767;GENER;EPAM;25;0;"<a href=https://www.ebi.ac.uk/chembl/assay_report_card/CHEMBL3419063/  target=_blank>CHEMBL3419063</a>";;;;;;;;;-9.7;;;;;;;;;;;;"Orbe J, Sánchez-Arias JA, Rabal O, Rodríguez JA, Salicio A, Ugarte A, Belzunce M, Xu M, Wu W, Tan H, Ma H, Páramo JA, Oyarzabal J.: Design, synthesis, and biological evaluation of novel matrix metalloproteinase inhibitors as potent antihemorrhagic agents: from hit identification to an optimized lead. J Med Chem, Volume 58 (5), 2015";ChEMBL
MM474143;MM474143;O=c1n(Cc2nc3cc(Cl)ccn3c2CCCCO)c2cnccc2n1C1CC1;HYWDRCNGDIQGND-UHFFFAOYSA-N;411.89;3.2;67975386;;;CHEMBL3427264;GENER;EPAM;25;0;"<a href=https://www.ebi.ac.uk/chembl/assay_report_card/CHEMBL3428423/  target=_blank>CHEMBL3428423</a>";;;;;;;;;-5.51;;;;;;;;;;;;"Feng S, Hong D, Wang B, Zheng X, Miao K, Wang L, Yun H, Gao L, Zhao S, Shen HC.: Discovery of imidazopyridine derivatives as highly potent respiratory syncytial virus fusion inhibitors. ACS Med Chem Lett, Volume 6 (3), 2015";ChEMBL
MM474144;MM474144;O=C(O)CCc1c(Cn2c(=O)n(C3CC3)c3ccncc32)nc2cc(Cl)ccn12;MDXDEVDOOLNVAH-UHFFFAOYSA-N;411.85;2.9;118737720;;;CHEMBL3427272;GENER;EPAM;25;0;"<a href=https://www.ebi.ac.uk/chembl/assay_report_card/CHEMBL3428423/  target=_blank>CHEMBL3428423</a>";;;;;;;;;-6.52;;;;;;;;;;;;"Feng S, Hong D, Wang B, Zheng X, Miao K, Wang L, Yun H, Gao L, Zhao S, Shen HC.: Discovery of imidazopyridine derivatives as highly potent respiratory syncytial virus fusion inhibitors. ACS Med Chem Lett, Volume 6 (3), 2015";ChEMBL
MM474145;MM474145;NC(=O)CCc1c(Cn2c(=O)n(C3CC3)c3ccncc32)nc2cc(Cl)ccn12;DTYYUVKDXPAJTQ-UHFFFAOYSA-N;410.87;2.3;118737721;;;CHEMBL3427273;GENER;EPAM;25;0;"<a href=https://www.ebi.ac.uk/chembl/assay_report_card/CHEMBL3428423/  target=_blank>CHEMBL3428423</a>";;;;;;;;;-5.6;;;;;;;;;;;;"Feng S, Hong D, Wang B, Zheng X, Miao K, Wang L, Yun H, Gao L, Zhao S, Shen HC.: Discovery of imidazopyridine derivatives as highly potent respiratory syncytial virus fusion inhibitors. ACS Med Chem Lett, Volume 6 (3), 2015";ChEMBL
MM474146;MM474146;O=C(CCc1c(Cn2c(=O)n(C3CC3)c3ccncc32)nc2cc(Cl)ccn12)NCCO;MRWRTTJLJMGCAE-UHFFFAOYSA-N;454.92;1.92;118737722;;;CHEMBL3427274;GENER;EPAM;25;0;"<a href=https://www.ebi.ac.uk/chembl/assay_report_card/CHEMBL3428423/  target=_blank>CHEMBL3428423</a>";;;;;;;;;-6.02;;;;;;;;;;;;"Feng S, Hong D, Wang B, Zheng X, Miao K, Wang L, Yun H, Gao L, Zhao S, Shen HC.: Discovery of imidazopyridine derivatives as highly potent respiratory syncytial virus fusion inhibitors. ACS Med Chem Lett, Volume 6 (3), 2015";ChEMBL
MM474147;MM474147;CS(=O)(=O)CCc1c(Cn2c(=O)n(C3CC3)c3ccncc32)nc2cc(Cl)ccn12;VBHUDCXGFXRLFM-UHFFFAOYSA-N;445.93;2.47;118737724;;;CHEMBL3427276;GENER;EPAM;25;0;"<a href=https://www.ebi.ac.uk/chembl/assay_report_card/CHEMBL3428423/  target=_blank>CHEMBL3428423</a>";;;;;;;;;-5.44;;;;;;;;;;;;"Feng S, Hong D, Wang B, Zheng X, Miao K, Wang L, Yun H, Gao L, Zhao S, Shen HC.: Discovery of imidazopyridine derivatives as highly potent respiratory syncytial virus fusion inhibitors. ACS Med Chem Lett, Volume 6 (3), 2015";ChEMBL
MM474148;MM474148;CCS(=O)(=O)CCc1c(Cn2c(=O)n(C3CC3)c3ccncc32)nc2cc(Cl)ccn12;SWWRPROUTDGFFV-UHFFFAOYSA-N;459.96;2.86;118737725;;;CHEMBL3427277;GENER;EPAM;25;0;"<a href=https://www.ebi.ac.uk/chembl/assay_report_card/CHEMBL3428423/  target=_blank>CHEMBL3428423</a>";;;;;;;;;-5.59;;;;;;;;;;;;"Feng S, Hong D, Wang B, Zheng X, Miao K, Wang L, Yun H, Gao L, Zhao S, Shen HC.: Discovery of imidazopyridine derivatives as highly potent respiratory syncytial virus fusion inhibitors. ACS Med Chem Lett, Volume 6 (3), 2015";ChEMBL
MM471958;MM471958;CC(=CCC12OC(C)(C)C3CC(C=C4C(=O)c5c(O)cccc5OC431)C2=O)COC(=O)Cn1ccnc1;;504.54;3.18;118737836;;;CHEMBL3427461;GENER;EPAM;25;0;"ph = 5, <a href=https://www.ebi.ac.uk/chembl/assay_report_card/CHEMBL3428736/  target=_blank>CHEMBL3428736</a>";;;;;;;;;-4.52;;;;;;;;;;;;"Wu Y, Hu M, Yang L, Li X, Bian J, Jiang F, Sun H, You Q, Zhang X.: Novel natural-product-like caged xanthones with improved druglike properties and in vivo antitumor potency. Bioorg Med Chem Lett, Volume 25 (12), 2015";ChEMBL
MM471958;MM471958;CC(=CCC12OC(C)(C)C3CC(C=C4C(=O)c5c(O)cccc5OC431)C2=O)COC(=O)Cn1ccnc1;;504.54;3.18;118737836;;;CHEMBL3427461;GENER;EPAM;25;0;"ph = 6.2, <a href=https://www.ebi.ac.uk/chembl/assay_report_card/CHEMBL3428917/  target=_blank>CHEMBL3428917</a>";;;;;;;;;-4.53;;;;;;;;;;;;"Wu Y, Hu M, Yang L, Li X, Bian J, Jiang F, Sun H, You Q, Zhang X.: Novel natural-product-like caged xanthones with improved druglike properties and in vivo antitumor potency. Bioorg Med Chem Lett, Volume 25 (12), 2015";ChEMBL
MM471958;MM471958;CC(=CCC12OC(C)(C)C3CC(C=C4C(=O)c5c(O)cccc5OC431)C2=O)COC(=O)Cn1ccnc1;;504.54;3.18;118737836;;;CHEMBL3427461;GENER;EPAM;25;0;"ph = 7.4, <a href=https://www.ebi.ac.uk/chembl/assay_report_card/CHEMBL3428918/  target=_blank>CHEMBL3428918</a>";;;;;;;;;-4.47;;;;;;;;;;;;"Wu Y, Hu M, Yang L, Li X, Bian J, Jiang F, Sun H, You Q, Zhang X.: Novel natural-product-like caged xanthones with improved druglike properties and in vivo antitumor potency. Bioorg Med Chem Lett, Volume 25 (12), 2015";ChEMBL
MM471959;MM471959;CC(=CCC12OC(C)(C)C3CC(C=C4C(=O)c5c(O)cccc5OC431)C2=O)COC(=O)CN1CCCC1;;507.58;3.37;118737837;;;CHEMBL3427462;GENER;EPAM;25;0;"ph = 5, <a href=https://www.ebi.ac.uk/chembl/assay_report_card/CHEMBL3428736/  target=_blank>CHEMBL3428736</a>";;;;;;;;;-4.57;;;;;;;;;;;;"Wu Y, Hu M, Yang L, Li X, Bian J, Jiang F, Sun H, You Q, Zhang X.: Novel natural-product-like caged xanthones with improved druglike properties and in vivo antitumor potency. Bioorg Med Chem Lett, Volume 25 (12), 2015";ChEMBL
MM471959;MM471959;CC(=CCC12OC(C)(C)C3CC(C=C4C(=O)c5c(O)cccc5OC431)C2=O)COC(=O)CN1CCCC1;;507.58;3.37;118737837;;;CHEMBL3427462;GENER;EPAM;25;0;"ph = 6.2, <a href=https://www.ebi.ac.uk/chembl/assay_report_card/CHEMBL3428917/  target=_blank>CHEMBL3428917</a>";;;;;;;;;-4.54;;;;;;;;;;;;"Wu Y, Hu M, Yang L, Li X, Bian J, Jiang F, Sun H, You Q, Zhang X.: Novel natural-product-like caged xanthones with improved druglike properties and in vivo antitumor potency. Bioorg Med Chem Lett, Volume 25 (12), 2015";ChEMBL
MM471959;MM471959;CC(=CCC12OC(C)(C)C3CC(C=C4C(=O)c5c(O)cccc5OC431)C2=O)COC(=O)CN1CCCC1;;507.58;3.37;118737837;;;CHEMBL3427462;GENER;EPAM;25;0;"ph = 7.4, <a href=https://www.ebi.ac.uk/chembl/assay_report_card/CHEMBL3428918/  target=_blank>CHEMBL3428918</a>";;;;;;;;;-4.55;;;;;;;;;;;;"Wu Y, Hu M, Yang L, Li X, Bian J, Jiang F, Sun H, You Q, Zhang X.: Novel natural-product-like caged xanthones with improved druglike properties and in vivo antitumor potency. Bioorg Med Chem Lett, Volume 25 (12), 2015";ChEMBL
MM471960;MM471960;CC(=CCC12OC(C)(C)C3CC(C=C4C(=O)c5c(O)cccc5OC431)C2=O)COC(=O)CN1CCCCC1;;521.61;3.76;118737838;;;CHEMBL3427463;GENER;EPAM;25;0;"ph = 5, <a href=https://www.ebi.ac.uk/chembl/assay_report_card/CHEMBL3428736/  target=_blank>CHEMBL3428736</a>";;;;;;;;;-4.39;;;;;;;;;;;;"Wu Y, Hu M, Yang L, Li X, Bian J, Jiang F, Sun H, You Q, Zhang X.: Novel natural-product-like caged xanthones with improved druglike properties and in vivo antitumor potency. Bioorg Med Chem Lett, Volume 25 (12), 2015";ChEMBL
MM471960;MM471960;CC(=CCC12OC(C)(C)C3CC(C=C4C(=O)c5c(O)cccc5OC431)C2=O)COC(=O)CN1CCCCC1;;521.61;3.76;118737838;;;CHEMBL3427463;GENER;EPAM;25;0;"ph = 6.2, <a href=https://www.ebi.ac.uk/chembl/assay_report_card/CHEMBL3428917/  target=_blank>CHEMBL3428917</a>";;;;;;;;;-4.37;;;;;;;;;;;;"Wu Y, Hu M, Yang L, Li X, Bian J, Jiang F, Sun H, You Q, Zhang X.: Novel natural-product-like caged xanthones with improved druglike properties and in vivo antitumor potency. Bioorg Med Chem Lett, Volume 25 (12), 2015";ChEMBL
MM471960;MM471960;CC(=CCC12OC(C)(C)C3CC(C=C4C(=O)c5c(O)cccc5OC431)C2=O)COC(=O)CN1CCCCC1;;521.61;3.76;118737838;;;CHEMBL3427463;GENER;EPAM;25;0;"ph = 7.4, <a href=https://www.ebi.ac.uk/chembl/assay_report_card/CHEMBL3428918/  target=_blank>CHEMBL3428918</a>";;;;;;;;;-4.36;;;;;;;;;;;;"Wu Y, Hu M, Yang L, Li X, Bian J, Jiang F, Sun H, You Q, Zhang X.: Novel natural-product-like caged xanthones with improved druglike properties and in vivo antitumor potency. Bioorg Med Chem Lett, Volume 25 (12), 2015";ChEMBL
MM471961;MM471961;CC(=CCC12OC(C)(C)C3CC(C=C4C(=O)c5c(O)cccc5OC431)C2=O)COC(=O)CN1CCOCC1;;523.58;2.61;118737839;;;CHEMBL3427464;GENER;EPAM;25;0;"ph = 5, <a href=https://www.ebi.ac.uk/chembl/assay_report_card/CHEMBL3428736/  target=_blank>CHEMBL3428736</a>";;;;;;;;;-4.43;;;;;;;;;;;;"Wu Y, Hu M, Yang L, Li X, Bian J, Jiang F, Sun H, You Q, Zhang X.: Novel natural-product-like caged xanthones with improved druglike properties and in vivo antitumor potency. Bioorg Med Chem Lett, Volume 25 (12), 2015";ChEMBL
MM471961;MM471961;CC(=CCC12OC(C)(C)C3CC(C=C4C(=O)c5c(O)cccc5OC431)C2=O)COC(=O)CN1CCOCC1;;523.58;2.61;118737839;;;CHEMBL3427464;GENER;EPAM;25;0;"ph = 6.2, <a href=https://www.ebi.ac.uk/chembl/assay_report_card/CHEMBL3428917/  target=_blank>CHEMBL3428917</a>";;;;;;;;;-4.41;;;;;;;;;;;;"Wu Y, Hu M, Yang L, Li X, Bian J, Jiang F, Sun H, You Q, Zhang X.: Novel natural-product-like caged xanthones with improved druglike properties and in vivo antitumor potency. Bioorg Med Chem Lett, Volume 25 (12), 2015";ChEMBL
MM471961;MM471961;CC(=CCC12OC(C)(C)C3CC(C=C4C(=O)c5c(O)cccc5OC431)C2=O)COC(=O)CN1CCOCC1;;523.58;2.61;118737839;;;CHEMBL3427464;GENER;EPAM;25;0;"ph = 7.4, <a href=https://www.ebi.ac.uk/chembl/assay_report_card/CHEMBL3428918/  target=_blank>CHEMBL3428918</a>";;;;;;;;;-4.3;;;;;;;;;;;;"Wu Y, Hu M, Yang L, Li X, Bian J, Jiang F, Sun H, You Q, Zhang X.: Novel natural-product-like caged xanthones with improved druglike properties and in vivo antitumor potency. Bioorg Med Chem Lett, Volume 25 (12), 2015";ChEMBL
MM471962;MM471962;CC(=CCC12OC(C)(C)C3CC(C=C4C(=O)c5c(O)cccc5OC431)C2=O)COC(=O)CN1CCN(C)CC1;;536.63;2.53;118737840;;;CHEMBL3427465;GENER;EPAM;25;0;"ph = 5, <a href=https://www.ebi.ac.uk/chembl/assay_report_card/CHEMBL3428736/  target=_blank>CHEMBL3428736</a>";;;;;;;;;-4.71;;;;;;;;;;;;"Wu Y, Hu M, Yang L, Li X, Bian J, Jiang F, Sun H, You Q, Zhang X.: Novel natural-product-like caged xanthones with improved druglike properties and in vivo antitumor potency. Bioorg Med Chem Lett, Volume 25 (12), 2015";ChEMBL
MM471962;MM471962;CC(=CCC12OC(C)(C)C3CC(C=C4C(=O)c5c(O)cccc5OC431)C2=O)COC(=O)CN1CCN(C)CC1;;536.63;2.53;118737840;;;CHEMBL3427465;GENER;EPAM;25;0;"ph = 6.2, <a href=https://www.ebi.ac.uk/chembl/assay_report_card/CHEMBL3428917/  target=_blank>CHEMBL3428917</a>";;;;;;;;;-4.74;;;;;;;;;;;;"Wu Y, Hu M, Yang L, Li X, Bian J, Jiang F, Sun H, You Q, Zhang X.: Novel natural-product-like caged xanthones with improved druglike properties and in vivo antitumor potency. Bioorg Med Chem Lett, Volume 25 (12), 2015";ChEMBL
MM471962;MM471962;CC(=CCC12OC(C)(C)C3CC(C=C4C(=O)c5c(O)cccc5OC431)C2=O)COC(=O)CN1CCN(C)CC1;;536.63;2.53;118737840;;;CHEMBL3427465;GENER;EPAM;25;0;"ph = 7.4, <a href=https://www.ebi.ac.uk/chembl/assay_report_card/CHEMBL3428918/  target=_blank>CHEMBL3428918</a>";;;;;;;;;-4.81;;;;;;;;;;;;"Wu Y, Hu M, Yang L, Li X, Bian J, Jiang F, Sun H, You Q, Zhang X.: Novel natural-product-like caged xanthones with improved druglike properties and in vivo antitumor potency. Bioorg Med Chem Lett, Volume 25 (12), 2015";ChEMBL
MM471963;MM471963;CC(=CCC12OC(C)(C)C3CC(C=C4C(=O)c5c(O)cccc5OC431)C2=O)COC(=O)CN(C)C;;481.55;2.84;118737841;;;CHEMBL3427466;GENER;EPAM;25;0;"ph = 5, <a href=https://www.ebi.ac.uk/chembl/assay_report_card/CHEMBL3428736/  target=_blank>CHEMBL3428736</a>";;;;;;;;;-4.14;;;;;;;;;;;;"Wu Y, Hu M, Yang L, Li X, Bian J, Jiang F, Sun H, You Q, Zhang X.: Novel natural-product-like caged xanthones with improved druglike properties and in vivo antitumor potency. Bioorg Med Chem Lett, Volume 25 (12), 2015";ChEMBL
MM471963;MM471963;CC(=CCC12OC(C)(C)C3CC(C=C4C(=O)c5c(O)cccc5OC431)C2=O)COC(=O)CN(C)C;;481.55;2.84;118737841;;;CHEMBL3427466;GENER;EPAM;25;0;"ph = 6.2, <a href=https://www.ebi.ac.uk/chembl/assay_report_card/CHEMBL3428917/  target=_blank>CHEMBL3428917</a>";;;;;;;;;-4.21;;;;;;;;;;;;"Wu Y, Hu M, Yang L, Li X, Bian J, Jiang F, Sun H, You Q, Zhang X.: Novel natural-product-like caged xanthones with improved druglike properties and in vivo antitumor potency. Bioorg Med Chem Lett, Volume 25 (12), 2015";ChEMBL
MM471963;MM471963;CC(=CCC12OC(C)(C)C3CC(C=C4C(=O)c5c(O)cccc5OC431)C2=O)COC(=O)CN(C)C;;481.55;2.84;118737841;;;CHEMBL3427466;GENER;EPAM;25;0;"ph = 7.4, <a href=https://www.ebi.ac.uk/chembl/assay_report_card/CHEMBL3428918/  target=_blank>CHEMBL3428918</a>";;;;;;;;;-4.24;;;;;;;;;;;;"Wu Y, Hu M, Yang L, Li X, Bian J, Jiang F, Sun H, You Q, Zhang X.: Novel natural-product-like caged xanthones with improved druglike properties and in vivo antitumor potency. Bioorg Med Chem Lett, Volume 25 (12), 2015";ChEMBL
MM471964;MM471964;CCN(CC)CC(=O)OCC(C)=CCC12OC(C)(C)C3CC(C=C4C(=O)c5c(O)cccc5OC431)C2=O;;509.6;3.62;118737842;;;CHEMBL3427467;GENER;EPAM;25;0;"ph = 5, <a href=https://www.ebi.ac.uk/chembl/assay_report_card/CHEMBL3428736/  target=_blank>CHEMBL3428736</a>";;;;;;;;;-4.1;;;;;;;;;;;;"Wu Y, Hu M, Yang L, Li X, Bian J, Jiang F, Sun H, You Q, Zhang X.: Novel natural-product-like caged xanthones with improved druglike properties and in vivo antitumor potency. Bioorg Med Chem Lett, Volume 25 (12), 2015";ChEMBL
MM471964;MM471964;CCN(CC)CC(=O)OCC(C)=CCC12OC(C)(C)C3CC(C=C4C(=O)c5c(O)cccc5OC431)C2=O;;509.6;3.62;118737842;;;CHEMBL3427467;GENER;EPAM;25;0;"ph = 6.2, <a href=https://www.ebi.ac.uk/chembl/assay_report_card/CHEMBL3428917/  target=_blank>CHEMBL3428917</a>";;;;;;;;;-4.16;;;;;;;;;;;;"Wu Y, Hu M, Yang L, Li X, Bian J, Jiang F, Sun H, You Q, Zhang X.: Novel natural-product-like caged xanthones with improved druglike properties and in vivo antitumor potency. Bioorg Med Chem Lett, Volume 25 (12), 2015";ChEMBL
MM471964;MM471964;CCN(CC)CC(=O)OCC(C)=CCC12OC(C)(C)C3CC(C=C4C(=O)c5c(O)cccc5OC431)C2=O;;509.6;3.62;118737842;;;CHEMBL3427467;GENER;EPAM;25;0;"ph = 7.4, <a href=https://www.ebi.ac.uk/chembl/assay_report_card/CHEMBL3428918/  target=_blank>CHEMBL3428918</a>";;;;;;;;;-4.2;;;;;;;;;;;;"Wu Y, Hu M, Yang L, Li X, Bian J, Jiang F, Sun H, You Q, Zhang X.: Novel natural-product-like caged xanthones with improved druglike properties and in vivo antitumor potency. Bioorg Med Chem Lett, Volume 25 (12), 2015";ChEMBL
MM472719;MM472719;CC(C)C[C@@H]1NC(=O)[C@H](Cc2ccc(O)cc2)NC(=O)[C@@H]2CCCN2C(=O)[C@@H](CC(C)C)NC(=O)[C@@H](CC(C)C)NC(=O)[C@@H](CC(C)C)NC1=O;;712.93;2.55;;;;CHEMBL3427784;GENER;EPAM;25;0;"<a href=https://www.ebi.ac.uk/chembl/assay_report_card/CHEMBL3430217/  target=_blank>CHEMBL3430217</a>";;;;;;;;;-6.68;;;;;;;;;;;;"Wang CK, Northfield SE, Swedberg JE, Colless B, Chaousis S, Price DA, Liras S, Craik DJ.: Exploring experimental and computational markers of cyclic peptides: Charting islands of permeability. Eur J Med Chem, Volume 97, 2015";ChEMBL
MM474508;MM474508;COc1ccc2[nH]cc(C(=O)COc3ccncc3)c2c1;HQZXFUGUFAFHSU-UHFFFAOYSA-N;282.3;2.83;;;;;GENER;EPAM;25;0;"<a href=https://www.ebi.ac.uk/chembl/assay_report_card/CHEMBL3431937/  target=_blank>CHEMBL3431937</a>";;;;;;;;;-7.7;;;;;;;;;;;;"CHEMBL dataset: 10.6019/CHEMBL3431459";ChEMBL
MM474511;MM474511;O=C(Nc1ccc(-c2nnn[nH]2)cc1)c1cccc(NS(=O)(=O)c2cccc(Cl)c2)c1;LYKJGYGOCYEOOB-UHFFFAOYSA-N;454.9;3.57;;;;;GENER;EPAM;25;0;"<a href=https://www.ebi.ac.uk/chembl/assay_report_card/CHEMBL3431937/  target=_blank>CHEMBL3431937</a>";;;;;;;;;-7.56;;;;;;;;;;;;"CHEMBL dataset: 10.6019/CHEMBL3431459";ChEMBL
MM474512;MM474512;NC(=O)c1ccc(-c2noc([C@H]3CCCCN3C(=O)COc3ccccc3)n2)cc1;UOXKYURYXQHCSW-GOSISDBHSA-N;406.44;2.97;;;;;GENER;EPAM;25;0;"<a href=https://www.ebi.ac.uk/chembl/assay_report_card/CHEMBL3431937/  target=_blank>CHEMBL3431937</a>";;;;;;;;;-5.29;;;;;;;;;;;;"CHEMBL dataset: 10.6019/CHEMBL3431459";ChEMBL
MM474513;MM474513;NS(=O)(=O)c1cccc(-c2noc([C@H]3CCCCN3C(=O)COc3ccccc3)n2)c1;GRLJBXCOLCXJPE-GOSISDBHSA-N;442.5;2.52;;;;;GENER;EPAM;25;0;"<a href=https://www.ebi.ac.uk/chembl/assay_report_card/CHEMBL3431937/  target=_blank>CHEMBL3431937</a>";;;;;;;;;-5.79;;;;;;;;;;;;"CHEMBL dataset: 10.6019/CHEMBL3431459";ChEMBL
MM474514;MM474514;O=C(O)c1cccc(-c2noc([C@H]3CCCCN3C(=O)COc3ccccc3)n2)c1;VYTGYKUFOSTDIK-GOSISDBHSA-N;407.43;3.57;;;;;GENER;EPAM;25;0;"<a href=https://www.ebi.ac.uk/chembl/assay_report_card/CHEMBL3431937/  target=_blank>CHEMBL3431937</a>";;;;;;;;;-5.72;;;;;;;;;;;;"CHEMBL dataset: 10.6019/CHEMBL3431459";ChEMBL
MM474515;MM474515;CCN(CC)C(=O)c1ccc(-c2noc([C@H]3CCCCN3C(=O)COc3ccccc3)n2)cc1;JGMILTWDZMXZOP-JOCHJYFZSA-N;462.55;4.35;;;;;GENER;EPAM;25;0;"<a href=https://www.ebi.ac.uk/chembl/assay_report_card/CHEMBL3431937/  target=_blank>CHEMBL3431937</a>";;;;;;;;;-5.83;;;;;;;;;;;;"CHEMBL dataset: 10.6019/CHEMBL3431459";ChEMBL
MM474516;MM474516;Cc1cc(C(=O)Nc2ccc(C(=O)O)cc2)cc(S(=O)(=O)Nc2cccc(C(F)(F)F)c2)c1C;YFWYSNNYPCLHSJ-UHFFFAOYSA-N;492.48;5.07;;;;;GENER;EPAM;25;0;"<a href=https://www.ebi.ac.uk/chembl/assay_report_card/CHEMBL3431937/  target=_blank>CHEMBL3431937</a>";;;;;;;;;-6.08;;;;;;;;;;;;"CHEMBL dataset: 10.6019/CHEMBL3431459";ChEMBL
MM474517;MM474517;O=C(O)c1ccc(NC(=O)c2ccc(Cl)c(NS(=O)(=O)c3cc(Cl)cc(Cl)c3)c2)cc1;ZXVNWQMGSFGEBN-UHFFFAOYSA-N;499.76;5.4;;;;;GENER;EPAM;25;0;"<a href=https://www.ebi.ac.uk/chembl/assay_report_card/CHEMBL3431937/  target=_blank>CHEMBL3431937</a>";;;;;;;;;-5.65;;;;;;;;;;;;"CHEMBL dataset: 10.6019/CHEMBL3431459";ChEMBL
MM474518;MM474518;COc1ccc(Cl)cc1S(=O)(=O)Nc1cc(C(=O)Nc2ccc(C(=O)O)cc2)cc(OC)c1OC;BJACXOCJPLSUML-UHFFFAOYSA-N;520.95;4.12;;;;;GENER;EPAM;25;0;"<a href=https://www.ebi.ac.uk/chembl/assay_report_card/CHEMBL3431937/  target=_blank>CHEMBL3431937</a>";;;;;;;;;-5.8;;;;;;;;;;;;"CHEMBL dataset: 10.6019/CHEMBL3431459";ChEMBL
MM474519;MM474519;O=C(COc1ccccc1)N1CCCC[C@@H]1c1nc(-c2ccc(Cl)cc2)no1;HZVQRAMACLKZKO-GOSISDBHSA-N;397.86;4.52;;;;;GENER;EPAM;25;0;"<a href=https://www.ebi.ac.uk/chembl/assay_report_card/CHEMBL3431937/  target=_blank>CHEMBL3431937</a>";;;;;;;;;-6.02;;;;;;;;;;;;"CHEMBL dataset: 10.6019/CHEMBL3431459";ChEMBL
MM474520;MM474520;NC(=O)c1cccc(-c2noc([C@H]3CCCCN3C(=O)COc3ccccc3)n2)c1;RSKRURYFYUMARZ-GOSISDBHSA-N;406.44;2.97;;;;;GENER;EPAM;25;0;"<a href=https://www.ebi.ac.uk/chembl/assay_report_card/CHEMBL3431937/  target=_blank>CHEMBL3431937</a>";;;;;;;;;-5.59;;;;;;;;;;;;"CHEMBL dataset: 10.6019/CHEMBL3431459";ChEMBL
MM474521;MM474521;O=C(COc1ccccc1)N1CCCC[C@@H]1c1nc(-c2ccc(S(=O)(=O)NCCO)cc2)no1;QGHNHABITPZLLZ-HXUWFJFHSA-N;486.55;2.14;;;;;GENER;EPAM;25;0;"<a href=https://www.ebi.ac.uk/chembl/assay_report_card/CHEMBL3431937/  target=_blank>CHEMBL3431937</a>";;;;;;;;;-5.64;;;;;;;;;;;;"CHEMBL dataset: 10.6019/CHEMBL3431459";ChEMBL
MM474522;MM474522;O=C(c1cc(-c2noc([C@H]3CCCCN3C(=O)COc3ccccc3)n2)ccn1)N1CCOCC1;KNINIBIMMPVUQN-OAQYLSRUSA-N;477.52;2.74;;;;;GENER;EPAM;25;0;"<a href=https://www.ebi.ac.uk/chembl/assay_report_card/CHEMBL3431937/  target=_blank>CHEMBL3431937</a>";;;;;;;;;-5.23;;;;;;;;;;;;"CHEMBL dataset: 10.6019/CHEMBL3431459";ChEMBL
MM474524;MM474524;O=C(COc1ccccc1)N1CCCC[C@@H]1c1nc(-c2ccc(-c3cnc[nH]3)cc2)no1;XNUIVPRDANKSRO-OAQYLSRUSA-N;429.48;4.26;;;;;GENER;EPAM;25;0;"<a href=https://www.ebi.ac.uk/chembl/assay_report_card/CHEMBL3431937/  target=_blank>CHEMBL3431937</a>";;;;;;;;;-6.58;;;;;;;;;;;;"CHEMBL dataset: 10.6019/CHEMBL3431459";ChEMBL
MM474525;MM474525;Nc1cccc(-c2n[nH]c([C@H]3CCCCN3C(=O)COc3ccccc3)n2)c1;VRJABBUTSONQCQ-GOSISDBHSA-N;377.45;3.19;;;;;GENER;EPAM;25;0;"<a href=https://www.ebi.ac.uk/chembl/assay_report_card/CHEMBL3431937/  target=_blank>CHEMBL3431937</a>";;;;;;;;;-5.27;;;;;;;;;;;;"CHEMBL dataset: 10.6019/CHEMBL3431459";ChEMBL
MM474526;MM474526;CC(=O)Nc1cccc(-c2n[nH]c([C@H]3CCCCN3C(=O)COc3ccccc3)n2)c1;KLCURDNWGRHKIP-HXUWFJFHSA-N;419.49;3.56;;;;;GENER;EPAM;25;0;"<a href=https://www.ebi.ac.uk/chembl/assay_report_card/CHEMBL3431937/  target=_blank>CHEMBL3431937</a>";;;;;;;;;-5.54;;;;;;;;;;;;"CHEMBL dataset: 10.6019/CHEMBL3431459";ChEMBL
MM472623;MM472623;COP(=S)(OC)Oc1ccc([N+](=O)[O-])c(C)c1;ZNOLGFHPUIJIMJ-UHFFFAOYSA-N;277.24;2.8;;;;;GENER;EPAM;25;+1,-1;"<a href=https://www.ebi.ac.uk/chembl/assay_report_card/CHEMBL3066824/  target=_blank>CHEMBL3066824</a>";;;;;;;;;-5.55;;;;;;;;;;;;"Akamatsu M.: Importance of physicochemical properties for the design of new pesticides. J Agric Food Chem, Volume 59 (7), 2011";ChEMBL
Furosemide;MM00083;NS(=O)(=O)c1cc(C(=O)O)c(NCc2ccco2)cc1Cl;ZZUFCTLCJUWOSV-UHFFFAOYSA-N;330.75;1.89;3440;DB00695;FUN;CHEMBL35;GENER;EPAM;25;0;"ph = 7.4, <a href=https://www.ebi.ac.uk/chembl/assay_report_card/CHEMBL1056608/  target=_blank>CHEMBL1056608</a>";;;;;;;;;-8.7;;;;;;;;;;;;"Dreassi E, Zizzari AT, Falchi F, Schenone S, Santucci A, Maga G, Botta M.: Determination of permeability and lipophilicity of pyrazolo-pyrimidine tyrosine kinase inhibitors and correlation with biological data. Eur J Med Chem, Volume 44 (9), 2009";ChEMBL
Furosemide;MM00083;NS(=O)(=O)c1cc(C(=O)O)c(NCc2ccco2)cc1Cl;ZZUFCTLCJUWOSV-UHFFFAOYSA-N;330.75;1.89;3440;DB00695;FUN;CHEMBL35;GENER;EPAM;25;0;"<a href=https://www.ebi.ac.uk/chembl/assay_report_card/CHEMBL3066824/  target=_blank>CHEMBL3066824</a>";;;;;;;;;-6.47;;;;;;;;;;;;"Akamatsu M.: Importance of physicochemical properties for the design of new pesticides. J Agric Food Chem, Volume 59 (7), 2011";ChEMBL
MM474383;MM474383;COc1ccc2c3c1OC1C(=O)CCC4(O)C(C2)NCCC314;RIKMCJUNPCRFMW-ISWURRPUSA-N;301.34;0.71;5489120;;;CHEMBL3527426;GENER;EPAM;25;0;"<a href=https://www.ebi.ac.uk/chembl/assay_report_card/CHEMBL4323355/  target=_blank>CHEMBL4323355</a>";;;;;;;;;-6.05;;;;;;;;;;;;"Meyer MJ, Neumann VE, Friesacher HR, Zdrazil B, Brockmöller J, Tzvetkov MV.: Opioids as Substrates and Inhibitors of the Genetically Highly Variable Organic Cation Transporter OCT1. J Med Chem, Volume 62 (21), 2019";ChEMBL
MM474534;MM474534;CCn1c(C(=O)N(C2CC2)C2CC2)cc2c3c(ncn3C)c(Nc3cc(C)n(C)n3)nc21;JCINBYQJBYJGDM-UHFFFAOYSA-N;432.53;3.5;50922691;;;CHEMBL3545215;GENER;EPAM;25;0;"<a href=https://www.ebi.ac.uk/chembl/assay_report_card/CHEMBL3624201/  target=_blank>CHEMBL3624201</a>";;;;;;;;;-4.16;;;;;;;;;;;;"Wan H, Schroeder GM, Hart AC, Inghrim J, Grebinski J, Tokarski JS, Lorenzi MV, You D, Mcdevitt T, Penhallow B, Vuppugalla R, Zhang Y, Gu X, Iyer R, Lombardo LJ, Trainor GL, Ruepp S, Lippy J, Blat Y, Sack JS, Khan JA, Stefanski K, Sleczka B, Mathur A, Sun JH, Wong MK, Wu DR, Li P, Gupta A, Arunachalam PN, Pragalathan B, Narayanan S, K C N, Kuppusamy P, Purandare AV.: Discovery of a Highly Selective JAK2 Inhibitor, BMS-911543, for the Treatment of Myeloproliferative Neoplasms. ACS Med Chem Lett, Volume 6 (8), 2015";ChEMBL
MM474364;MM474364;CC(Cn1ncc2c(Nc3cccc(O)c3)nc(SCCN3CCOCC3)nc21)c1ccccc1;ZUDSOOJFKCYWSR-UHFFFAOYSA-N;490.63;4.5;118725874;;;CHEMBL3547140;GENER;EPAM;25;0;"<a href=https://www.ebi.ac.uk/chembl/assay_report_card/CHEMBL4268759/  target=_blank>CHEMBL4268759</a>";;;;;;;;;-5.17;;;;;;;;;;;;"Molinari A, Fallacara AL, Di Maria S, Zamperini C, Poggialini F, Musumeci F, Schenone S, Angelucci A, Colapietro A, Crespan E, Kissova M, Maga G, Botta M.: Efficient optimization of pyrazolo[3,4-d]pyrimidines derivatives as c-Src kinase inhibitors in neuroblastoma treatment. Bioorg Med Chem Lett, Volume 28 (21), 2018";ChEMBL
MM474382;MM474382;CCC(=O)N(c1ccccc1)C1CCNCC1;PMCBDBWCQQBSRJ-UHFFFAOYSA-N;232.33;2.18;259381;;;CHEMBL3560524;GENER;EPAM;25;0;"<a href=https://www.ebi.ac.uk/chembl/assay_report_card/CHEMBL4323355/  target=_blank>CHEMBL4323355</a>";;;;;;;;;-5.59;;;;;;;;;;;;"Meyer MJ, Neumann VE, Friesacher HR, Zdrazil B, Brockmöller J, Tzvetkov MV.: Opioids as Substrates and Inhibitors of the Genetically Highly Variable Organic Cation Transporter OCT1. J Med Chem, Volume 62 (21), 2019";ChEMBL
MM474154;MM474154;COCC(C)Oc1cc(C#Cc2cccc(N)c2)cc(C(=O)Nc2ccn(C)n2)c1;JJZHLHHSBFBDFN-INIZCTEOSA-N;404.47;3.07;78319009;;;CHEMBL3577723;GENER;EPAM;25;0;"<a href=https://www.ebi.ac.uk/chembl/assay_report_card/CHEMBL3578787/  target=_blank>CHEMBL3578787</a>";;;;;;;;;-5.46;;;;;;;;;;;;"Park K, Lee BM, Hyun KH, Han T, Lee DH, Choi HH.: Design and Synthesis of Acetylenyl Benzamide Derivatives as Novel Glucokinase Activators for the Treatment of T2DM. ACS Med Chem Lett, Volume 6 (3), 2015";ChEMBL
MM473264;MM473264;COc1ccc(C(=O)Nc2nc3n(n2)C(c2ccccc2)C=C(C)N3)cc1;DEEROTSPEVGSRY-UHFFFAOYSA-N;361.41;3.46;2930723;;;CHEMBL3577796;GENER;EPAM;25;0;"<a href=https://www.ebi.ac.uk/chembl/assay_report_card/CHEMBL3578367/  target=_blank>CHEMBL3578367</a>";;;;;;;;;-5.45;;;;;;;;;;;;"Massari S, Nannetti G, Desantis J, Muratore G, Sabatini S, Manfroni G, Mercorelli B, Cecchetti V, Palù G, Cruciani G, Loregian A, Goracci L, Tabarrini O.: A Broad Anti-influenza Hybrid Small Molecule That Potently Disrupts the Interaction of Polymerase Acidic Protein-Basic Protein 1 (PA-PB1) Subunits. J Med Chem, Volume 58 (9), 2015";ChEMBL
MM473265;MM473265;CCCOc1ccc(C(=O)Nc2nc3n(n2)C(c2ccccc2)C=C(C)N3)cc1;JTZVIVSTNLFICQ-UHFFFAOYSA-N;389.46;4.24;137090895;;;CHEMBL3577802;GENER;EPAM;25;0;"<a href=https://www.ebi.ac.uk/chembl/assay_report_card/CHEMBL3578367/  target=_blank>CHEMBL3578367</a>";;;;;;;;;-5.53;;;;;;;;;;;;"Massari S, Nannetti G, Desantis J, Muratore G, Sabatini S, Manfroni G, Mercorelli B, Cecchetti V, Palù G, Cruciani G, Loregian A, Goracci L, Tabarrini O.: A Broad Anti-influenza Hybrid Small Molecule That Potently Disrupts the Interaction of Polymerase Acidic Protein-Basic Protein 1 (PA-PB1) Subunits. J Med Chem, Volume 58 (9), 2015";ChEMBL
MM473266;MM473266;Cc1cc(-c2ccccc2)nc2nc(NC(=O)c3ccccc3)nn12;TYAKSJXUMOOQQU-UHFFFAOYSA-N;329.36;3.35;122178063;;;CHEMBL3577817;GENER;EPAM;25;0;"<a href=https://www.ebi.ac.uk/chembl/assay_report_card/CHEMBL3578367/  target=_blank>CHEMBL3578367</a>";;;;;;;;;-5.26;;;;;;;;;;;;"Massari S, Nannetti G, Desantis J, Muratore G, Sabatini S, Manfroni G, Mercorelli B, Cecchetti V, Palù G, Cruciani G, Loregian A, Goracci L, Tabarrini O.: A Broad Anti-influenza Hybrid Small Molecule That Potently Disrupts the Interaction of Polymerase Acidic Protein-Basic Protein 1 (PA-PB1) Subunits. J Med Chem, Volume 58 (9), 2015";ChEMBL
MM473267;MM473267;Cc1cc(-c2ccccc2)n2nc(C(=O)Nc3sc4c(c3C(N)=O)CCCCC4)nc2n1;RZQVZONKHSOLHN-UHFFFAOYSA-N;446.54;3.78;91758318;;;CHEMBL3577821;GENER;EPAM;25;0;"<a href=https://www.ebi.ac.uk/chembl/assay_report_card/CHEMBL3578367/  target=_blank>CHEMBL3578367</a>";;;;;;;;;-6.21;;;;;;;;;;;;"Massari S, Nannetti G, Desantis J, Muratore G, Sabatini S, Manfroni G, Mercorelli B, Cecchetti V, Palù G, Cruciani G, Loregian A, Goracci L, Tabarrini O.: A Broad Anti-influenza Hybrid Small Molecule That Potently Disrupts the Interaction of Polymerase Acidic Protein-Basic Protein 1 (PA-PB1) Subunits. J Med Chem, Volume 58 (9), 2015";ChEMBL
MM474155;MM474155;COc1ncc(-c2cc3c(-c4ccncc4)ncnc3s2)cc1NS(=O)(=O)c1ccc(F)cc1F;IHWMYZQUTPMTII-UHFFFAOYSA-N;511.54;4.9;122178120;;;CHEMBL3577921;GENER;EPAM;25;0;"<a href=https://www.ebi.ac.uk/chembl/assay_report_card/CHEMBL3579767/  target=_blank>CHEMBL3579767</a>";;;;;;;;;-5.1;;;;;;;;;;;;"Han F, Lin S, Liu P, Liu X, Tao J, Deng X, Yi C, Xu H.: Discovery of a Novel Series of Thienopyrimidine as Highly Potent and Selective PI3K Inhibitors. ACS Med Chem Lett, Volume 6 (4), 2015";ChEMBL
MM474156;MM474156;O=S(=O)(Nc1cc(-c2cc3c(-c4ccncc4)ncnc3s2)cnc1Cl)c1ccc(F)cc1F;OGUIPHCQISNMKY-UHFFFAOYSA-N;515.95;5.55;122178124;;;CHEMBL3577925;GENER;EPAM;25;0;"<a href=https://www.ebi.ac.uk/chembl/assay_report_card/CHEMBL3579767/  target=_blank>CHEMBL3579767</a>";;;;;;;;;-5.15;;;;;;;;;;;;"Han F, Lin S, Liu P, Liu X, Tao J, Deng X, Yi C, Xu H.: Discovery of a Novel Series of Thienopyrimidine as Highly Potent and Selective PI3K Inhibitors. ACS Med Chem Lett, Volume 6 (4), 2015";ChEMBL
MM472264;MM472264;CCC[C@@H]1C[C@H](N(C)C(C)C)CC[C@@H]1N1CC[C@H](Nc2ncnc3ccc(C(F)(F)F)cc23)C1=O;NUJWKQSEJDYCDB-GNRVTEMESA-N;491.6;5.34;;;;;GENER;EPAM;25;0;"ph = 7.4, <a href=https://www.ebi.ac.uk/chembl/assay_report_card/CHEMBL4339727/  target=_blank>CHEMBL4339727</a>";;;;;;;;;-4.28;;;;;;;;;;;;"Yang MG, Xiao Z, Cherney RJ, Tebben AJ, Batt DG, Brown GD, Chen J, Cvijic ME, Dabros M, Duncia JV, Galella M, Gardner DS, Khandelwal P, Ko SS, Malley MF, Mo R, Pang J, Rose AV, Santella JB, Shi H, Srivastava A, Traeger SC, Wang B, Xu S, Zhao R, Barrish JC, Mandlekar S, Zhao Q, Carter PH.: Use of a Conformational-Switching Mechanism to Modulate Exposed Polarity: Discovery of CCR2 Antagonist BMS-741672. ACS Med Chem Lett, Volume 10 (3), 2019";ChEMBL
MM472077;MM472077;O=C1CCCN1c1cc(S(=O)(=O)Nc2ccc(F)cc2F)cc2c1N(C(=O)Nc1ccc(C(F)(F)F)cc1)CC2;RGDHGNPUKLLPLT-UHFFFAOYSA-N;580.54;5.51;91885577;;;CHEMBL3581734;GENER;EPAM;25;0;"ph = 7.4, <a href=https://www.ebi.ac.uk/chembl/assay_report_card/CHEMBL3583918/  target=_blank>CHEMBL3583918</a>";;;;;;;;;-4.4;;;;;;;;;;;;"Sato K, Takahagi H, Yoshikawa T, Morimoto S, Takai T, Hidaka K, Kamaura M, Kubo O, Adachi R, Ishii T, Maki T, Mochida T, Takekawa S, Nakakariya M, Amano N, Kitazaki T.: Discovery of a Novel Series of N-Phenylindoline-5-sulfonamide Derivatives as Potent, Selective, and Orally Bioavailable Acyl CoA:Monoacylglycerol Acyltransferase-2 Inhibitors. J Med Chem, Volume 58 (9), 2015";ChEMBL
MM471408;MM471408;O=C1NC(=O)C(Cc2ccccc2)O1;;191.19;0.86;9942360;;;CHEMBL164450;GENER;EPAM;25;0;"ph = 7.4, <a href=https://www.ebi.ac.uk/chembl/assay_report_card/CHEMBL3801192/  target=_blank>CHEMBL3801192</a>";;;;;;;;;-5.61;;;;;;;;;;;;"Lassalas P, Gay B, Lasfargeas C, James MJ, Tran V, Vijayendran KG, Brunden KR, Kozlowski MC, Thomas CJ, Smith AB, Huryn DM, Ballatore C.: Structure Property Relationships of Carboxylic Acid Isosteres. J Med Chem, Volume 59 (7), 2016";ChEMBL
MM472076;MM472076;O=C1NCCN1c1cc(S(=O)(=O)Nc2ccc(F)cc2F)cc2c1N(C(=O)Nc1ccc(C(F)(F)F)cc1)CC2;YVXDLDVRCSNFPF-UHFFFAOYSA-N;581.52;4.91;122179046;;;CHEMBL3581736;GENER;EPAM;25;0;"ph = 7.4, <a href=https://www.ebi.ac.uk/chembl/assay_report_card/CHEMBL3583918/  target=_blank>CHEMBL3583918</a>";;;;;;;;;-5.03;;;;;;;;;;;;"Sato K, Takahagi H, Yoshikawa T, Morimoto S, Takai T, Hidaka K, Kamaura M, Kubo O, Adachi R, Ishii T, Maki T, Mochida T, Takekawa S, Nakakariya M, Amano N, Kitazaki T.: Discovery of a Novel Series of N-Phenylindoline-5-sulfonamide Derivatives as Potent, Selective, and Orally Bioavailable Acyl CoA:Monoacylglycerol Acyltransferase-2 Inhibitors. J Med Chem, Volume 58 (9), 2015";ChEMBL
MM471408;MM471408;O=C1NC(=O)C(Cc2ccccc2)O1;;191.19;0.86;9942360;;;CHEMBL164450;GENER;EPAM;25;0;"ph = 7.4, <a href=https://www.ebi.ac.uk/chembl/assay_report_card/CHEMBL3801194/  target=_blank>CHEMBL3801194</a>";;;;;;;;;-5.61;;;;;;;;;;;;"Lassalas P, Gay B, Lasfargeas C, James MJ, Tran V, Vijayendran KG, Brunden KR, Kozlowski MC, Thomas CJ, Smith AB, Huryn DM, Ballatore C.: Structure Property Relationships of Carboxylic Acid Isosteres. J Med Chem, Volume 59 (7), 2016";ChEMBL
MM471966;MM471966;c1ccc(-c2nc(-c3ccc4nc[nH]c4c3)no2)cc1;XQYPDQDCEUEGEZ-UHFFFAOYSA-N;262.27;3.28;122180479;;;CHEMBL3586622;GENER;EPAM;25;0;"ph = 7.4, <a href=https://www.ebi.ac.uk/chembl/assay_report_card/CHEMBL3587134/  target=_blank>CHEMBL3587134</a>";;;;;;;;;-5.28;;;;;;;;;;;;"Xu LL, Zhu JF, Xu XL, Zhu J, Li L, Xi MY, Jiang ZY, Zhang MY, Liu F, Lu MC, Bao QC, Li Q, Zhang C, Wei JL, Zhang XJ, Zhang LS, You QD, Sun HP.: Discovery and Modification of in Vivo Active Nrf2 Activators with 1,2,4-Oxadiazole Core: Hits Identification and Structure-Activity Relationship Study. J Med Chem, Volume 58 (14), 2015";ChEMBL
MM471967;MM471967;FC(F)(F)c1ccccc1-c1nc(-c2ccc3nc[nH]c3c2)no1;WUCCIHPTYOFNDJ-UHFFFAOYSA-N;330.27;4.3;122180495;;;CHEMBL3586638;GENER;EPAM;25;0;"ph = 7.4, <a href=https://www.ebi.ac.uk/chembl/assay_report_card/CHEMBL3587134/  target=_blank>CHEMBL3587134</a>";;;;;;;;;-5.32;;;;;;;;;;;;"Xu LL, Zhu JF, Xu XL, Zhu J, Li L, Xi MY, Jiang ZY, Zhang MY, Liu F, Lu MC, Bao QC, Li Q, Zhang C, Wei JL, Zhang XJ, Zhang LS, You QD, Sun HP.: Discovery and Modification of in Vivo Active Nrf2 Activators with 1,2,4-Oxadiazole Core: Hits Identification and Structure-Activity Relationship Study. J Med Chem, Volume 58 (14), 2015";ChEMBL
MM471968;MM471968;Brc1ccc(-c2nc(-c3ccc4nc[nH]c4c3)no2)cc1;WDSQNMSWLYROHT-UHFFFAOYSA-N;341.17;4.04;122180501;;;CHEMBL3586644;GENER;EPAM;25;0;"ph = 7.4, <a href=https://www.ebi.ac.uk/chembl/assay_report_card/CHEMBL3587134/  target=_blank>CHEMBL3587134</a>";;;;;;;;;-4.95;;;;;;;;;;;;"Xu LL, Zhu JF, Xu XL, Zhu J, Li L, Xi MY, Jiang ZY, Zhang MY, Liu F, Lu MC, Bao QC, Li Q, Zhang C, Wei JL, Zhang XJ, Zhang LS, You QD, Sun HP.: Discovery and Modification of in Vivo Active Nrf2 Activators with 1,2,4-Oxadiazole Core: Hits Identification and Structure-Activity Relationship Study. J Med Chem, Volume 58 (14), 2015";ChEMBL
MM471969;MM471969;Clc1ccc(-c2nc(-c3ccc4nc[nH]c4c3)no2)cc1;KYGBWCBTIJLPCN-UHFFFAOYSA-N;296.72;3.93;122180502;;;CHEMBL3586645;GENER;EPAM;25;0;"ph = 7.4, <a href=https://www.ebi.ac.uk/chembl/assay_report_card/CHEMBL3587134/  target=_blank>CHEMBL3587134</a>";;;;;;;;;-4.99;;;;;;;;;;;;"Xu LL, Zhu JF, Xu XL, Zhu J, Li L, Xi MY, Jiang ZY, Zhang MY, Liu F, Lu MC, Bao QC, Li Q, Zhang C, Wei JL, Zhang XJ, Zhang LS, You QD, Sun HP.: Discovery and Modification of in Vivo Active Nrf2 Activators with 1,2,4-Oxadiazole Core: Hits Identification and Structure-Activity Relationship Study. J Med Chem, Volume 58 (14), 2015";ChEMBL
MM471970;MM471970;Fc1ccc(-c2nc(-c3ccc4nc[nH]c4c3)no2)cc1;LBOBFSYTLJJUGA-UHFFFAOYSA-N;280.26;3.42;122180503;;;CHEMBL3586646;GENER;EPAM;25;0;"ph = 7.4, <a href=https://www.ebi.ac.uk/chembl/assay_report_card/CHEMBL3587134/  target=_blank>CHEMBL3587134</a>";;;;;;;;;-4.71;;;;;;;;;;;;"Xu LL, Zhu JF, Xu XL, Zhu J, Li L, Xi MY, Jiang ZY, Zhang MY, Liu F, Lu MC, Bao QC, Li Q, Zhang C, Wei JL, Zhang XJ, Zhang LS, You QD, Sun HP.: Discovery and Modification of in Vivo Active Nrf2 Activators with 1,2,4-Oxadiazole Core: Hits Identification and Structure-Activity Relationship Study. J Med Chem, Volume 58 (14), 2015";ChEMBL
MM471971;MM471971;OCCCCCc1ccc(-c2nc(-c3ccc4nc[nH]c4c3)no2)cc1;RFJSAPHKUYDIBR-UHFFFAOYSA-N;348.41;3.99;122180507;;;CHEMBL3586650;GENER;EPAM;25;0;"ph = 7.4, <a href=https://www.ebi.ac.uk/chembl/assay_report_card/CHEMBL3587134/  target=_blank>CHEMBL3587134</a>";;;;;;;;;-5.11;;;;;;;;;;;;"Xu LL, Zhu JF, Xu XL, Zhu J, Li L, Xi MY, Jiang ZY, Zhang MY, Liu F, Lu MC, Bao QC, Li Q, Zhang C, Wei JL, Zhang XJ, Zhang LS, You QD, Sun HP.: Discovery and Modification of in Vivo Active Nrf2 Activators with 1,2,4-Oxadiazole Core: Hits Identification and Structure-Activity Relationship Study. J Med Chem, Volume 58 (14), 2015";ChEMBL
MM471972;MM471972;c1ccc2cc(-c3nc(-c4ccc5nc[nH]c5c4)no3)ccc2c1;VTPHOSVCGFGYKL-UHFFFAOYSA-N;312.33;4.43;122180509;;;CHEMBL3586652;GENER;EPAM;25;0;"ph = 7.4, <a href=https://www.ebi.ac.uk/chembl/assay_report_card/CHEMBL3587134/  target=_blank>CHEMBL3587134</a>";;;;;;;;;-5.06;;;;;;;;;;;;"Xu LL, Zhu JF, Xu XL, Zhu J, Li L, Xi MY, Jiang ZY, Zhang MY, Liu F, Lu MC, Bao QC, Li Q, Zhang C, Wei JL, Zhang XJ, Zhang LS, You QD, Sun HP.: Discovery and Modification of in Vivo Active Nrf2 Activators with 1,2,4-Oxadiazole Core: Hits Identification and Structure-Activity Relationship Study. J Med Chem, Volume 58 (14), 2015";ChEMBL
MM471973;MM471973;CNCCN(C)Cc1cn[nH]c1-c1ccc(OC2CC(OCCC3CCOCC3)C2)cc1;QMDKVNSQXPVCRD-RQNOJGIXSA-N;442.6;3.47;91668547;;;CHEMBL3589039;GENER;EPAM;25;0;"ph = 7.4, <a href=https://www.ebi.ac.uk/chembl/assay_report_card/CHEMBL3591662/  target=_blank>CHEMBL3591662</a>";;;;;;;;;-7;;;;;;;;;;;;"Mitchell LH, Drew AE, Ribich SA, Rioux N, Swinger KK, Jacques SL, Lingaraj T, Boriack-Sjodin PA, Waters NJ, Wigle TJ, Moradei O, Jin L, Riera T, Porter-Scott M, Moyer MP, Smith JJ, Chesworth R, Copeland RA.: Aryl Pyrazoles as Potent Inhibitors of Arginine Methyltransferases: Identification of the First PRMT6 Tool Compound. ACS Med Chem Lett, Volume 6 (6), 2015";ChEMBL
MM472379;MM472379;CNc1nnc(-c2ccc(-c3ccccc3)cc2)n1-c1ccccc1F;;344.39;4.78;50994605;;;CHEMBL1649969;GENER;EPAM;25;0;"ph = 5, <a href=https://www.ebi.ac.uk/chembl/assay_report_card/CHEMBL1657785/  target=_blank>CHEMBL1657785</a>";;;;;;;;;-4.36;;;;;;;;;;;;"Sugane T, Tobe T, Hamaguchi W, Shimada I, Maeno K, Miyata J, Suzuki T, Kimizuka T, Kohara A, Morita T, Doihara H, Saita K, Aota M, Furutani M, Shimada Y, Hamada N, Sakamoto S, Tsukamoto S.: Synthesis and biological evaluation of 3-biphenyl-4-yl-4-phenyl-4H-1,2,4-triazoles as novel glycine transporter 1 inhibitors. J Med Chem, Volume 54 (1), 2011";ChEMBL
MM474527;MM474527;COc1cccc(-c2cc(C(N)=O)c3[nH]c4cc(C(=O)N5CCC(N(C)C)C5)ccc4c3c2)c1;OMYRREZWXIXXHW-IBGZPJMESA-N;456.55;3.87;66605298;;;CHEMBL3589177;GENER;EPAM;25;0;"<a href=https://www.ebi.ac.uk/chembl/assay_report_card/CHEMBL3592860/  target=_blank>CHEMBL3592860</a>";;;;;;;;;-4.53;;;;;;;;;;;;"Zimmermann K, Sang X, Mastalerz HA, Johnson WL, Zhang G, Liu Q, Batt D, Lombardo LJ, Vyas D, Trainor GL, Tokarski JS, Lorenzi MV, You D, Gottardis MM, Lippy J, Khan J, Sack JS, Purandare AV.: 9H-Carbazole-1-carboxamides as potent and selective JAK2 inhibitors. Bioorg Med Chem Lett, Volume 25 (14), 2015";ChEMBL
MM472379;MM472379;CNc1nnc(-c2ccc(-c3ccccc3)cc2)n1-c1ccccc1F;;344.39;4.78;50994605;;;CHEMBL1649969;GENER;EPAM;25;0;"ph = 6.5, <a href=https://www.ebi.ac.uk/chembl/assay_report_card/CHEMBL1657786/  target=_blank>CHEMBL1657786</a>";;;;;;;;;-4.38;;;;;;;;;;;;"Sugane T, Tobe T, Hamaguchi W, Shimada I, Maeno K, Miyata J, Suzuki T, Kimizuka T, Kohara A, Morita T, Doihara H, Saita K, Aota M, Furutani M, Shimada Y, Hamada N, Sakamoto S, Tsukamoto S.: Synthesis and biological evaluation of 3-biphenyl-4-yl-4-phenyl-4H-1,2,4-triazoles as novel glycine transporter 1 inhibitors. J Med Chem, Volume 54 (1), 2011";ChEMBL
MM474528;MM474528;CN1CCN(c2ccc3c(c2)[nH]c2c(C(N)=O)cc(-c4ccc5c(cnn5C)c4)cc23)CC1;CVXWIJMWDFWQAT-UHFFFAOYSA-N;438.54;3.73;66604810;;;CHEMBL3589329;GENER;EPAM;25;0;"<a href=https://www.ebi.ac.uk/chembl/assay_report_card/CHEMBL3592860/  target=_blank>CHEMBL3592860</a>";;;;;;;;;-5.43;;;;;;;;;;;;"Zimmermann K, Sang X, Mastalerz HA, Johnson WL, Zhang G, Liu Q, Batt D, Lombardo LJ, Vyas D, Trainor GL, Tokarski JS, Lorenzi MV, You D, Gottardis MM, Lippy J, Khan J, Sack JS, Purandare AV.: 9H-Carbazole-1-carboxamides as potent and selective JAK2 inhibitors. Bioorg Med Chem Lett, Volume 25 (14), 2015";ChEMBL
MM472380;MM472380;COc1nnc(-c2ccc(-c3ccccc3)cc2)n1-c1ccccc1F;;345.38;4.75;50994689;;;CHEMBL1649970;GENER;EPAM;25;0;"ph = 5, <a href=https://www.ebi.ac.uk/chembl/assay_report_card/CHEMBL1657785/  target=_blank>CHEMBL1657785</a>";;;;;;;;;-4.41;;;;;;;;;;;;"Sugane T, Tobe T, Hamaguchi W, Shimada I, Maeno K, Miyata J, Suzuki T, Kimizuka T, Kohara A, Morita T, Doihara H, Saita K, Aota M, Furutani M, Shimada Y, Hamada N, Sakamoto S, Tsukamoto S.: Synthesis and biological evaluation of 3-biphenyl-4-yl-4-phenyl-4H-1,2,4-triazoles as novel glycine transporter 1 inhibitors. J Med Chem, Volume 54 (1), 2011";ChEMBL
MM471976;MM471976;N#Cc1ccc(N2CCC(Nc3c(C(N)=O)cnc4[nH]ccc34)CC2)nc1;XFSMWLHLZSVJAB-UHFFFAOYSA-N;361.41;2.01;15953526;;;CHEMBL3593771;GENER;EPAM;25;0;"ph = 7.4, <a href=https://www.ebi.ac.uk/chembl/assay_report_card/CHEMBL3594795/  target=_blank>CHEMBL3594795</a>";;;;;;;;;-4.59;;;;;;;;;;;;"Nakajima Y, Inoue T, Nakai K, Mukoyoshi K, Hamaguchi H, Hatanaka K, Sasaki H, Tanaka A, Takahashi F, Kunikawa S, Usuda H, Moritomo A, Higashi Y, Inami M, Shirakami S.: Synthesis and evaluation of novel 1H-pyrrolo[2,3-b]pyridine-5-carboxamide derivatives as potent and orally efficacious immunomodulators targeting JAK3. Bioorg Med Chem, Volume 23 (15), 2015";ChEMBL
MM472380;MM472380;COc1nnc(-c2ccc(-c3ccccc3)cc2)n1-c1ccccc1F;;345.38;4.75;50994689;;;CHEMBL1649970;GENER;EPAM;25;0;"ph = 6.5, <a href=https://www.ebi.ac.uk/chembl/assay_report_card/CHEMBL1657786/  target=_blank>CHEMBL1657786</a>";;;;;;;;;-4.37;;;;;;;;;;;;"Sugane T, Tobe T, Hamaguchi W, Shimada I, Maeno K, Miyata J, Suzuki T, Kimizuka T, Kohara A, Morita T, Doihara H, Saita K, Aota M, Furutani M, Shimada Y, Hamada N, Sakamoto S, Tsukamoto S.: Synthesis and biological evaluation of 3-biphenyl-4-yl-4-phenyl-4H-1,2,4-triazoles as novel glycine transporter 1 inhibitors. J Med Chem, Volume 54 (1), 2011";ChEMBL
MM471975;MM471975;N#Cc1ccc(N2CC[C@@H](Nc3c(C(N)=O)cnc4[nH]ccc34)[C@@H](F)C2)nc1;OHNNRNYUHNGDNO-LSDHHAIUSA-N;379.4;1.96;;;;;GENER;EPAM;25;0;"ph = 7.4, <a href=https://www.ebi.ac.uk/chembl/assay_report_card/CHEMBL3594795/  target=_blank>CHEMBL3594795</a>";;;;;;;;;-5.05;;;;;;;;;;;;"Nakajima Y, Inoue T, Nakai K, Mukoyoshi K, Hamaguchi H, Hatanaka K, Sasaki H, Tanaka A, Takahashi F, Kunikawa S, Usuda H, Moritomo A, Higashi Y, Inami M, Shirakami S.: Synthesis and evaluation of novel 1H-pyrrolo[2,3-b]pyridine-5-carboxamide derivatives as potent and orally efficacious immunomodulators targeting JAK3. Bioorg Med Chem, Volume 23 (15), 2015";ChEMBL
MM472381;MM472381;CCc1nnc(-c2ccc(-c3ccccc3)cc2)n1-c1ccccc1F;;343.41;5.3;50993656;;;CHEMBL1649974;GENER;EPAM;25;0;"ph = 5, <a href=https://www.ebi.ac.uk/chembl/assay_report_card/CHEMBL1657785/  target=_blank>CHEMBL1657785</a>";;;;;;;;;-4.43;;;;;;;;;;;;"Sugane T, Tobe T, Hamaguchi W, Shimada I, Maeno K, Miyata J, Suzuki T, Kimizuka T, Kohara A, Morita T, Doihara H, Saita K, Aota M, Furutani M, Shimada Y, Hamada N, Sakamoto S, Tsukamoto S.: Synthesis and biological evaluation of 3-biphenyl-4-yl-4-phenyl-4H-1,2,4-triazoles as novel glycine transporter 1 inhibitors. J Med Chem, Volume 54 (1), 2011";ChEMBL
MM471974;MM471974;N#Cc1ccc(N2CCC(Nc3c(C(N)=O)cnc4[nH]ccc34)C(F)C2)nc1;OHNNRNYUHNGDNO-CABCVRRESA-N;379.4;1.96;59291951;;;CHEMBL3593778;GENER;EPAM;25;0;"ph = 7.4, <a href=https://www.ebi.ac.uk/chembl/assay_report_card/CHEMBL3594795/  target=_blank>CHEMBL3594795</a>";;;;;;;;;-5.3;;;;;;;;;;;;"Nakajima Y, Inoue T, Nakai K, Mukoyoshi K, Hamaguchi H, Hatanaka K, Sasaki H, Tanaka A, Takahashi F, Kunikawa S, Usuda H, Moritomo A, Higashi Y, Inami M, Shirakami S.: Synthesis and evaluation of novel 1H-pyrrolo[2,3-b]pyridine-5-carboxamide derivatives as potent and orally efficacious immunomodulators targeting JAK3. Bioorg Med Chem, Volume 23 (15), 2015";ChEMBL
MM472381;MM472381;CCc1nnc(-c2ccc(-c3ccccc3)cc2)n1-c1ccccc1F;;343.41;5.3;50993656;;;CHEMBL1649974;GENER;EPAM;25;0;"ph = 6.5, <a href=https://www.ebi.ac.uk/chembl/assay_report_card/CHEMBL1657786/  target=_blank>CHEMBL1657786</a>";;;;;;;;;-4.46;;;;;;;;;;;;"Sugane T, Tobe T, Hamaguchi W, Shimada I, Maeno K, Miyata J, Suzuki T, Kimizuka T, Kohara A, Morita T, Doihara H, Saita K, Aota M, Furutani M, Shimada Y, Hamada N, Sakamoto S, Tsukamoto S.: Synthesis and biological evaluation of 3-biphenyl-4-yl-4-phenyl-4H-1,2,4-triazoles as novel glycine transporter 1 inhibitors. J Med Chem, Volume 54 (1), 2011";ChEMBL
MM472459;MM472459;O=C(O)CCCc1cn(CC(=O)O)c2c(C=Cc3ccc(OCCCCOc4ccccc4)cc3)cccc12;NTBXOFAJPMVAEU-SAPNQHFASA-N;527.62;6.54;11713438;;;CHEMBL3597522;GENER;EPAM;25;0;"ph = 6.2, <a href=https://www.ebi.ac.uk/chembl/assay_report_card/CHEMBL3599263/  target=_blank>CHEMBL3599263</a>";;;;;;;;;-5.8;;;;;;;;;;;;"Itadani S, Yashiro K, Aratani Y, Sekiguchi T, Kinoshita A, Moriguchi H, Ohta N, Takahashi S, Ishida A, Tajima Y, Hisaichi K, Ima M, Ueda J, Egashira H, Sekioka T, Kadode M, Yonetomi Y, Nakao T, Inoue A, Nomura H, Kitamine T, Fujita M, Nabe T, Yamaura Y, Matsumura N, Imagawa A, Nakayama Y, Takeuchi J, Ohmoto K.: Discovery of Gemilukast (ONO-6950), a Dual CysLT1 and CysLT2 Antagonist As a Therapeutic Agent for Asthma. J Med Chem, Volume 58 (15), 2015";ChEMBL
MM472382;MM472382;CC(C)c1nnc(-c2ccc(-c3ccccc3)cc2)n1-c1ccccc1F;;357.43;5.86;22019234;;;CHEMBL1649975;GENER;EPAM;25;0;"ph = 5, <a href=https://www.ebi.ac.uk/chembl/assay_report_card/CHEMBL1657785/  target=_blank>CHEMBL1657785</a>";;;;;;;;;-4.36;;;;;;;;;;;;"Sugane T, Tobe T, Hamaguchi W, Shimada I, Maeno K, Miyata J, Suzuki T, Kimizuka T, Kohara A, Morita T, Doihara H, Saita K, Aota M, Furutani M, Shimada Y, Hamada N, Sakamoto S, Tsukamoto S.: Synthesis and biological evaluation of 3-biphenyl-4-yl-4-phenyl-4H-1,2,4-triazoles as novel glycine transporter 1 inhibitors. J Med Chem, Volume 54 (1), 2011";ChEMBL
MM472460;MM472460;O=C(O)CCCc1cn(CC(=O)O)c2c(C=Cc3ccc(OCCCCc4ccccc4)cc3)cccc12;JITXEOCUBFNDSU-OBGWFSINSA-N;511.62;6.71;68695885;;;CHEMBL3597523;GENER;EPAM;25;0;"ph = 6.2, <a href=https://www.ebi.ac.uk/chembl/assay_report_card/CHEMBL3599263/  target=_blank>CHEMBL3599263</a>";;;;;;;;;-5.89;;;;;;;;;;;;"Itadani S, Yashiro K, Aratani Y, Sekiguchi T, Kinoshita A, Moriguchi H, Ohta N, Takahashi S, Ishida A, Tajima Y, Hisaichi K, Ima M, Ueda J, Egashira H, Sekioka T, Kadode M, Yonetomi Y, Nakao T, Inoue A, Nomura H, Kitamine T, Fujita M, Nabe T, Yamaura Y, Matsumura N, Imagawa A, Nakayama Y, Takeuchi J, Ohmoto K.: Discovery of Gemilukast (ONO-6950), a Dual CysLT1 and CysLT2 Antagonist As a Therapeutic Agent for Asthma. J Med Chem, Volume 58 (15), 2015";ChEMBL
MM472382;MM472382;CC(C)c1nnc(-c2ccc(-c3ccccc3)cc2)n1-c1ccccc1F;;357.43;5.86;22019234;;;CHEMBL1649975;GENER;EPAM;25;0;"ph = 6.5, <a href=https://www.ebi.ac.uk/chembl/assay_report_card/CHEMBL1657786/  target=_blank>CHEMBL1657786</a>";;;;;;;;;-4.28;;;;;;;;;;;;"Sugane T, Tobe T, Hamaguchi W, Shimada I, Maeno K, Miyata J, Suzuki T, Kimizuka T, Kohara A, Morita T, Doihara H, Saita K, Aota M, Furutani M, Shimada Y, Hamada N, Sakamoto S, Tsukamoto S.: Synthesis and biological evaluation of 3-biphenyl-4-yl-4-phenyl-4H-1,2,4-triazoles as novel glycine transporter 1 inhibitors. J Med Chem, Volume 54 (1), 2011";ChEMBL
MM472461;MM472461;O=C(O)CCCc1cn(CC(=O)O)c2c(C=Cc3ccc(OCCCCc4cccc(Cl)c4)cc3)cccc12;SVEIXTCDRMVORE-DTQAZKPQSA-N;546.06;7.36;122183681;;;CHEMBL3597524;GENER;EPAM;25;0;"ph = 6.2, <a href=https://www.ebi.ac.uk/chembl/assay_report_card/CHEMBL3599263/  target=_blank>CHEMBL3599263</a>";;;;;;;;;-5.6;;;;;;;;;;;;"Itadani S, Yashiro K, Aratani Y, Sekiguchi T, Kinoshita A, Moriguchi H, Ohta N, Takahashi S, Ishida A, Tajima Y, Hisaichi K, Ima M, Ueda J, Egashira H, Sekioka T, Kadode M, Yonetomi Y, Nakao T, Inoue A, Nomura H, Kitamine T, Fujita M, Nabe T, Yamaura Y, Matsumura N, Imagawa A, Nakayama Y, Takeuchi J, Ohmoto K.: Discovery of Gemilukast (ONO-6950), a Dual CysLT1 and CysLT2 Antagonist As a Therapeutic Agent for Asthma. J Med Chem, Volume 58 (15), 2015";ChEMBL
MM472462;MM472462;O=C(O)CCCc1cn(CC(=O)O)c2c(C=Cc3ccc(OCCCCc4c(F)ccc(F)c4F)cc3)cccc12;UKCJWCGWHOCIIK-JLHYYAGUSA-N;565.59;7.12;122183682;;;CHEMBL3597525;GENER;EPAM;25;0;"ph = 6.2, <a href=https://www.ebi.ac.uk/chembl/assay_report_card/CHEMBL3599263/  target=_blank>CHEMBL3599263</a>";;;;;;;;;-5.85;;;;;;;;;;;;"Itadani S, Yashiro K, Aratani Y, Sekiguchi T, Kinoshita A, Moriguchi H, Ohta N, Takahashi S, Ishida A, Tajima Y, Hisaichi K, Ima M, Ueda J, Egashira H, Sekioka T, Kadode M, Yonetomi Y, Nakao T, Inoue A, Nomura H, Kitamine T, Fujita M, Nabe T, Yamaura Y, Matsumura N, Imagawa A, Nakayama Y, Takeuchi J, Ohmoto K.: Discovery of Gemilukast (ONO-6950), a Dual CysLT1 and CysLT2 Antagonist As a Therapeutic Agent for Asthma. J Med Chem, Volume 58 (15), 2015";ChEMBL
MM472463;MM472463;Cc1c(F)cccc1CCCCOc1ccc(C=Cc2cccc3c(CCCC(=O)O)cn(CC(=O)O)c23)cc1;CTNCLMQKMHDOHK-SAPNQHFASA-N;543.64;7.15;122183683;;;CHEMBL3597526;GENER;EPAM;25;0;"ph = 6.2, <a href=https://www.ebi.ac.uk/chembl/assay_report_card/CHEMBL3599263/  target=_blank>CHEMBL3599263</a>";;;;;;;;;-5.46;;;;;;;;;;;;"Itadani S, Yashiro K, Aratani Y, Sekiguchi T, Kinoshita A, Moriguchi H, Ohta N, Takahashi S, Ishida A, Tajima Y, Hisaichi K, Ima M, Ueda J, Egashira H, Sekioka T, Kadode M, Yonetomi Y, Nakao T, Inoue A, Nomura H, Kitamine T, Fujita M, Nabe T, Yamaura Y, Matsumura N, Imagawa A, Nakayama Y, Takeuchi J, Ohmoto K.: Discovery of Gemilukast (ONO-6950), a Dual CysLT1 and CysLT2 Antagonist As a Therapeutic Agent for Asthma. J Med Chem, Volume 58 (15), 2015";ChEMBL
MM471977;MM471977;Cc1c(Cl)cccc1CCCCOc1ccc(C=Cc2cccc3c(CCCC(=O)O)cn(CC(=O)O)c23)cc1;;560.09;7.67;122183684;;;CHEMBL3597527;GENER;EPAM;25;0;"ph = 6.2, <a href=https://www.ebi.ac.uk/chembl/assay_report_card/CHEMBL3599263/  target=_blank>CHEMBL3599263</a>";;;;;;;;;-5.72;;;;;;;;;;;;"Itadani S, Yashiro K, Aratani Y, Sekiguchi T, Kinoshita A, Moriguchi H, Ohta N, Takahashi S, Ishida A, Tajima Y, Hisaichi K, Ima M, Ueda J, Egashira H, Sekioka T, Kadode M, Yonetomi Y, Nakao T, Inoue A, Nomura H, Kitamine T, Fujita M, Nabe T, Yamaura Y, Matsumura N, Imagawa A, Nakayama Y, Takeuchi J, Ohmoto K.: Discovery of Gemilukast (ONO-6950), a Dual CysLT1 and CysLT2 Antagonist As a Therapeutic Agent for Asthma. J Med Chem, Volume 58 (15), 2015";ChEMBL
MM471977;MM471977;Cc1c(Cl)cccc1CCCCOc1ccc(C=Cc2cccc3c(CCCC(=O)O)cn(CC(=O)O)c23)cc1;;560.09;7.67;122183684;;;CHEMBL3597527;GENER;EPAM;25;0;"ph = 7.4, <a href=https://www.ebi.ac.uk/chembl/assay_report_card/CHEMBL3599264/  target=_blank>CHEMBL3599264</a>";;;;;;;;;-5.85;;;;;;;;;;;;"Itadani S, Yashiro K, Aratani Y, Sekiguchi T, Kinoshita A, Moriguchi H, Ohta N, Takahashi S, Ishida A, Tajima Y, Hisaichi K, Ima M, Ueda J, Egashira H, Sekioka T, Kadode M, Yonetomi Y, Nakao T, Inoue A, Nomura H, Kitamine T, Fujita M, Nabe T, Yamaura Y, Matsumura N, Imagawa A, Nakayama Y, Takeuchi J, Ohmoto K.: Discovery of Gemilukast (ONO-6950), a Dual CysLT1 and CysLT2 Antagonist As a Therapeutic Agent for Asthma. J Med Chem, Volume 58 (15), 2015";ChEMBL
MM472464;MM472464;Cc1c(CCCC(=O)O)c2cccc(C=Cc3ccc(OCCCCc4ccccc4)cc3)c2n1CC(=O)O;OSDCTRXECXZIED-KNTRCKAVSA-N;525.65;7.01;122183685;;;CHEMBL3597528;GENER;EPAM;25;0;"ph = 6.2, <a href=https://www.ebi.ac.uk/chembl/assay_report_card/CHEMBL3599263/  target=_blank>CHEMBL3599263</a>";;;;;;;;;-5.89;;;;;;;;;;;;"Itadani S, Yashiro K, Aratani Y, Sekiguchi T, Kinoshita A, Moriguchi H, Ohta N, Takahashi S, Ishida A, Tajima Y, Hisaichi K, Ima M, Ueda J, Egashira H, Sekioka T, Kadode M, Yonetomi Y, Nakao T, Inoue A, Nomura H, Kitamine T, Fujita M, Nabe T, Yamaura Y, Matsumura N, Imagawa A, Nakayama Y, Takeuchi J, Ohmoto K.: Discovery of Gemilukast (ONO-6950), a Dual CysLT1 and CysLT2 Antagonist As a Therapeutic Agent for Asthma. J Med Chem, Volume 58 (15), 2015";ChEMBL
MM471978;MM471978;Cc1c(CCCC(=O)O)c2cccc(C=Cc3ccc(OCCCCc4c(F)ccc(F)c4F)cc3)c2n1CC(=O)O;;579.62;7.43;122183687;;;CHEMBL3597530;GENER;EPAM;25;0;"ph = 6.2, <a href=https://www.ebi.ac.uk/chembl/assay_report_card/CHEMBL3599263/  target=_blank>CHEMBL3599263</a>";;;;;;;;;-5.36;;;;;;;;;;;;"Itadani S, Yashiro K, Aratani Y, Sekiguchi T, Kinoshita A, Moriguchi H, Ohta N, Takahashi S, Ishida A, Tajima Y, Hisaichi K, Ima M, Ueda J, Egashira H, Sekioka T, Kadode M, Yonetomi Y, Nakao T, Inoue A, Nomura H, Kitamine T, Fujita M, Nabe T, Yamaura Y, Matsumura N, Imagawa A, Nakayama Y, Takeuchi J, Ohmoto K.: Discovery of Gemilukast (ONO-6950), a Dual CysLT1 and CysLT2 Antagonist As a Therapeutic Agent for Asthma. J Med Chem, Volume 58 (15), 2015";ChEMBL
MM471978;MM471978;Cc1c(CCCC(=O)O)c2cccc(C=Cc3ccc(OCCCCc4c(F)ccc(F)c4F)cc3)c2n1CC(=O)O;;579.62;7.43;122183687;;;CHEMBL3597530;GENER;EPAM;25;0;"ph = 7.4, <a href=https://www.ebi.ac.uk/chembl/assay_report_card/CHEMBL3599264/  target=_blank>CHEMBL3599264</a>";;;;;;;;;-5.59;;;;;;;;;;;;"Itadani S, Yashiro K, Aratani Y, Sekiguchi T, Kinoshita A, Moriguchi H, Ohta N, Takahashi S, Ishida A, Tajima Y, Hisaichi K, Ima M, Ueda J, Egashira H, Sekioka T, Kadode M, Yonetomi Y, Nakao T, Inoue A, Nomura H, Kitamine T, Fujita M, Nabe T, Yamaura Y, Matsumura N, Imagawa A, Nakayama Y, Takeuchi J, Ohmoto K.: Discovery of Gemilukast (ONO-6950), a Dual CysLT1 and CysLT2 Antagonist As a Therapeutic Agent for Asthma. J Med Chem, Volume 58 (15), 2015";ChEMBL
MM471979;MM471979;Cc1c(CCCC(=O)O)c2cccc(C=Cc3ccc(OCCCCc4c(F)c(F)cc(F)c4F)cc3)c2n1CC(=O)O;;597.61;7.57;122183688;;;CHEMBL3597531;GENER;EPAM;25;0;"ph = 6.2, <a href=https://www.ebi.ac.uk/chembl/assay_report_card/CHEMBL3599263/  target=_blank>CHEMBL3599263</a>";;;;;;;;;-5.03;;;;;;;;;;;;"Itadani S, Yashiro K, Aratani Y, Sekiguchi T, Kinoshita A, Moriguchi H, Ohta N, Takahashi S, Ishida A, Tajima Y, Hisaichi K, Ima M, Ueda J, Egashira H, Sekioka T, Kadode M, Yonetomi Y, Nakao T, Inoue A, Nomura H, Kitamine T, Fujita M, Nabe T, Yamaura Y, Matsumura N, Imagawa A, Nakayama Y, Takeuchi J, Ohmoto K.: Discovery of Gemilukast (ONO-6950), a Dual CysLT1 and CysLT2 Antagonist As a Therapeutic Agent for Asthma. J Med Chem, Volume 58 (15), 2015";ChEMBL
MM471979;MM471979;Cc1c(CCCC(=O)O)c2cccc(C=Cc3ccc(OCCCCc4c(F)c(F)cc(F)c4F)cc3)c2n1CC(=O)O;;597.61;7.57;122183688;;;CHEMBL3597531;GENER;EPAM;25;0;"ph = 7.4, <a href=https://www.ebi.ac.uk/chembl/assay_report_card/CHEMBL3599264/  target=_blank>CHEMBL3599264</a>";;;;;;;;;-6.3;;;;;;;;;;;;"Itadani S, Yashiro K, Aratani Y, Sekiguchi T, Kinoshita A, Moriguchi H, Ohta N, Takahashi S, Ishida A, Tajima Y, Hisaichi K, Ima M, Ueda J, Egashira H, Sekioka T, Kadode M, Yonetomi Y, Nakao T, Inoue A, Nomura H, Kitamine T, Fujita M, Nabe T, Yamaura Y, Matsumura N, Imagawa A, Nakayama Y, Takeuchi J, Ohmoto K.: Discovery of Gemilukast (ONO-6950), a Dual CysLT1 and CysLT2 Antagonist As a Therapeutic Agent for Asthma. J Med Chem, Volume 58 (15), 2015";ChEMBL
MM471980;MM471980;Cc1c(CCCC(=O)O)c2cccc(C=Cc3ccc(OCCCCc4cc(F)c(F)c(F)c4F)cc3)c2n1CC(=O)O;;597.61;7.57;122183689;;;CHEMBL3597532;GENER;EPAM;25;0;"ph = 6.2, <a href=https://www.ebi.ac.uk/chembl/assay_report_card/CHEMBL3599263/  target=_blank>CHEMBL3599263</a>";;;;;;;;;-5.74;;;;;;;;;;;;"Itadani S, Yashiro K, Aratani Y, Sekiguchi T, Kinoshita A, Moriguchi H, Ohta N, Takahashi S, Ishida A, Tajima Y, Hisaichi K, Ima M, Ueda J, Egashira H, Sekioka T, Kadode M, Yonetomi Y, Nakao T, Inoue A, Nomura H, Kitamine T, Fujita M, Nabe T, Yamaura Y, Matsumura N, Imagawa A, Nakayama Y, Takeuchi J, Ohmoto K.: Discovery of Gemilukast (ONO-6950), a Dual CysLT1 and CysLT2 Antagonist As a Therapeutic Agent for Asthma. J Med Chem, Volume 58 (15), 2015";ChEMBL
MM471980;MM471980;Cc1c(CCCC(=O)O)c2cccc(C=Cc3ccc(OCCCCc4cc(F)c(F)c(F)c4F)cc3)c2n1CC(=O)O;;597.61;7.57;122183689;;;CHEMBL3597532;GENER;EPAM;25;0;"ph = 7.4, <a href=https://www.ebi.ac.uk/chembl/assay_report_card/CHEMBL3599264/  target=_blank>CHEMBL3599264</a>";;;;;;;;;-6.52;;;;;;;;;;;;"Itadani S, Yashiro K, Aratani Y, Sekiguchi T, Kinoshita A, Moriguchi H, Ohta N, Takahashi S, Ishida A, Tajima Y, Hisaichi K, Ima M, Ueda J, Egashira H, Sekioka T, Kadode M, Yonetomi Y, Nakao T, Inoue A, Nomura H, Kitamine T, Fujita M, Nabe T, Yamaura Y, Matsumura N, Imagawa A, Nakayama Y, Takeuchi J, Ohmoto K.: Discovery of Gemilukast (ONO-6950), a Dual CysLT1 and CysLT2 Antagonist As a Therapeutic Agent for Asthma. J Med Chem, Volume 58 (15), 2015";ChEMBL
MM471981;MM471981;Cc1c(CCCC(=O)O)c2cccc(C=Cc3ccc(OCCCCc4c(F)cc(F)c(F)c4F)cc3)c2n1CC(=O)O;;597.61;7.57;87131159;;;CHEMBL3597533;GENER;EPAM;25;0;"ph = 6.2, <a href=https://www.ebi.ac.uk/chembl/assay_report_card/CHEMBL3599263/  target=_blank>CHEMBL3599263</a>";;;;;;;;;-5.54;;;;;;;;;;;;"Itadani S, Yashiro K, Aratani Y, Sekiguchi T, Kinoshita A, Moriguchi H, Ohta N, Takahashi S, Ishida A, Tajima Y, Hisaichi K, Ima M, Ueda J, Egashira H, Sekioka T, Kadode M, Yonetomi Y, Nakao T, Inoue A, Nomura H, Kitamine T, Fujita M, Nabe T, Yamaura Y, Matsumura N, Imagawa A, Nakayama Y, Takeuchi J, Ohmoto K.: Discovery of Gemilukast (ONO-6950), a Dual CysLT1 and CysLT2 Antagonist As a Therapeutic Agent for Asthma. J Med Chem, Volume 58 (15), 2015";ChEMBL
MM471981;MM471981;Cc1c(CCCC(=O)O)c2cccc(C=Cc3ccc(OCCCCc4c(F)cc(F)c(F)c4F)cc3)c2n1CC(=O)O;;597.61;7.57;87131159;;;CHEMBL3597533;GENER;EPAM;25;0;"ph = 7.4, <a href=https://www.ebi.ac.uk/chembl/assay_report_card/CHEMBL3599264/  target=_blank>CHEMBL3599264</a>";;;;;;;;;-6.52;;;;;;;;;;;;"Itadani S, Yashiro K, Aratani Y, Sekiguchi T, Kinoshita A, Moriguchi H, Ohta N, Takahashi S, Ishida A, Tajima Y, Hisaichi K, Ima M, Ueda J, Egashira H, Sekioka T, Kadode M, Yonetomi Y, Nakao T, Inoue A, Nomura H, Kitamine T, Fujita M, Nabe T, Yamaura Y, Matsumura N, Imagawa A, Nakayama Y, Takeuchi J, Ohmoto K.: Discovery of Gemilukast (ONO-6950), a Dual CysLT1 and CysLT2 Antagonist As a Therapeutic Agent for Asthma. J Med Chem, Volume 58 (15), 2015";ChEMBL
MM471982;MM471982;Cc1c(F)cccc1CCCCOc1ccc(C=Cc2cccc3c(CCCC(=O)O)c(C)n(CC(=O)O)c23)cc1;;557.66;7.46;122183690;;;CHEMBL3597534;GENER;EPAM;25;0;"ph = 6.2, <a href=https://www.ebi.ac.uk/chembl/assay_report_card/CHEMBL3599263/  target=_blank>CHEMBL3599263</a>";;;;;;;;;-5.4;;;;;;;;;;;;"Itadani S, Yashiro K, Aratani Y, Sekiguchi T, Kinoshita A, Moriguchi H, Ohta N, Takahashi S, Ishida A, Tajima Y, Hisaichi K, Ima M, Ueda J, Egashira H, Sekioka T, Kadode M, Yonetomi Y, Nakao T, Inoue A, Nomura H, Kitamine T, Fujita M, Nabe T, Yamaura Y, Matsumura N, Imagawa A, Nakayama Y, Takeuchi J, Ohmoto K.: Discovery of Gemilukast (ONO-6950), a Dual CysLT1 and CysLT2 Antagonist As a Therapeutic Agent for Asthma. J Med Chem, Volume 58 (15), 2015";ChEMBL
MM471982;MM471982;Cc1c(F)cccc1CCCCOc1ccc(C=Cc2cccc3c(CCCC(=O)O)c(C)n(CC(=O)O)c23)cc1;;557.66;7.46;122183690;;;CHEMBL3597534;GENER;EPAM;25;0;"ph = 7.4, <a href=https://www.ebi.ac.uk/chembl/assay_report_card/CHEMBL3599264/  target=_blank>CHEMBL3599264</a>";;;;;;;;;-5.82;;;;;;;;;;;;"Itadani S, Yashiro K, Aratani Y, Sekiguchi T, Kinoshita A, Moriguchi H, Ohta N, Takahashi S, Ishida A, Tajima Y, Hisaichi K, Ima M, Ueda J, Egashira H, Sekioka T, Kadode M, Yonetomi Y, Nakao T, Inoue A, Nomura H, Kitamine T, Fujita M, Nabe T, Yamaura Y, Matsumura N, Imagawa A, Nakayama Y, Takeuchi J, Ohmoto K.: Discovery of Gemilukast (ONO-6950), a Dual CysLT1 and CysLT2 Antagonist As a Therapeutic Agent for Asthma. J Med Chem, Volume 58 (15), 2015";ChEMBL
MM471983;MM471983;Cc1c(Cl)cccc1CCCCOc1ccc(C=Cc2cccc3c(CCCC(=O)O)c(C)n(CC(=O)O)c23)cc1;;574.12;7.98;66739117;;;CHEMBL3597535;GENER;EPAM;25;0;"ph = 6.2, <a href=https://www.ebi.ac.uk/chembl/assay_report_card/CHEMBL3599263/  target=_blank>CHEMBL3599263</a>";;;;;;;;;-5.34;;;;;;;;;;;;"Itadani S, Yashiro K, Aratani Y, Sekiguchi T, Kinoshita A, Moriguchi H, Ohta N, Takahashi S, Ishida A, Tajima Y, Hisaichi K, Ima M, Ueda J, Egashira H, Sekioka T, Kadode M, Yonetomi Y, Nakao T, Inoue A, Nomura H, Kitamine T, Fujita M, Nabe T, Yamaura Y, Matsumura N, Imagawa A, Nakayama Y, Takeuchi J, Ohmoto K.: Discovery of Gemilukast (ONO-6950), a Dual CysLT1 and CysLT2 Antagonist As a Therapeutic Agent for Asthma. J Med Chem, Volume 58 (15), 2015";ChEMBL
MM471983;MM471983;Cc1c(Cl)cccc1CCCCOc1ccc(C=Cc2cccc3c(CCCC(=O)O)c(C)n(CC(=O)O)c23)cc1;;574.12;7.98;66739117;;;CHEMBL3597535;GENER;EPAM;25;0;"ph = 7.4, <a href=https://www.ebi.ac.uk/chembl/assay_report_card/CHEMBL3599264/  target=_blank>CHEMBL3599264</a>";;;;;;;;;-5.82;;;;;;;;;;;;"Itadani S, Yashiro K, Aratani Y, Sekiguchi T, Kinoshita A, Moriguchi H, Ohta N, Takahashi S, Ishida A, Tajima Y, Hisaichi K, Ima M, Ueda J, Egashira H, Sekioka T, Kadode M, Yonetomi Y, Nakao T, Inoue A, Nomura H, Kitamine T, Fujita M, Nabe T, Yamaura Y, Matsumura N, Imagawa A, Nakayama Y, Takeuchi J, Ohmoto K.: Discovery of Gemilukast (ONO-6950), a Dual CysLT1 and CysLT2 Antagonist As a Therapeutic Agent for Asthma. J Med Chem, Volume 58 (15), 2015";ChEMBL
MM471984;MM471984;Cc1c(Cl)cccc1CCCCOc1ccc(C#Cc2cccc3c(CCC(=O)O)c(C)n(CC(=O)O)c23)cc1;XNFPKWJBSFIUNB-UHFFFAOYSA-N;558.07;6.81;122183752;;;CHEMBL3597617;GENER;EPAM;25;0;"ph = 7.4, <a href=https://www.ebi.ac.uk/chembl/assay_report_card/CHEMBL3599264/  target=_blank>CHEMBL3599264</a>";;;;;;;;;-6.15;;;;;;;;;;;;"Itadani S, Yashiro K, Aratani Y, Sekiguchi T, Kinoshita A, Moriguchi H, Ohta N, Takahashi S, Ishida A, Tajima Y, Hisaichi K, Ima M, Ueda J, Egashira H, Sekioka T, Kadode M, Yonetomi Y, Nakao T, Inoue A, Nomura H, Kitamine T, Fujita M, Nabe T, Yamaura Y, Matsumura N, Imagawa A, Nakayama Y, Takeuchi J, Ohmoto K.: Discovery of Gemilukast (ONO-6950), a Dual CysLT1 and CysLT2 Antagonist As a Therapeutic Agent for Asthma. J Med Chem, Volume 58 (15), 2015";ChEMBL
MM471985;MM471985;Cc1c(Cl)cccc1CCCCOc1ccc(C#Cc2cccc3c(CCCC(=O)O)c(C)n(CC(=O)O)c23)cc1;HMRYVKBVRIXMOC-UHFFFAOYSA-N;572.1;7.2;122183753;;;CHEMBL3597618;GENER;EPAM;25;0;"ph = 7.4, <a href=https://www.ebi.ac.uk/chembl/assay_report_card/CHEMBL3599264/  target=_blank>CHEMBL3599264</a>";;;;;;;;;-5.49;;;;;;;;;;;;"Itadani S, Yashiro K, Aratani Y, Sekiguchi T, Kinoshita A, Moriguchi H, Ohta N, Takahashi S, Ishida A, Tajima Y, Hisaichi K, Ima M, Ueda J, Egashira H, Sekioka T, Kadode M, Yonetomi Y, Nakao T, Inoue A, Nomura H, Kitamine T, Fujita M, Nabe T, Yamaura Y, Matsumura N, Imagawa A, Nakayama Y, Takeuchi J, Ohmoto K.: Discovery of Gemilukast (ONO-6950), a Dual CysLT1 and CysLT2 Antagonist As a Therapeutic Agent for Asthma. J Med Chem, Volume 58 (15), 2015";ChEMBL
MM471986;MM471986;Cc1c(Cl)cccc1CCCCOc1ccc(C#Cc2cccc3c(CC(=O)O)c(C)n(CCC(=O)O)c23)cc1;VWQZNSNDHXIKHH-UHFFFAOYSA-N;558.07;6.81;122183754;;;CHEMBL3597619;GENER;EPAM;25;0;"ph = 7.4, <a href=https://www.ebi.ac.uk/chembl/assay_report_card/CHEMBL3599264/  target=_blank>CHEMBL3599264</a>";;;;;;;;;-5.14;;;;;;;;;;;;"Itadani S, Yashiro K, Aratani Y, Sekiguchi T, Kinoshita A, Moriguchi H, Ohta N, Takahashi S, Ishida A, Tajima Y, Hisaichi K, Ima M, Ueda J, Egashira H, Sekioka T, Kadode M, Yonetomi Y, Nakao T, Inoue A, Nomura H, Kitamine T, Fujita M, Nabe T, Yamaura Y, Matsumura N, Imagawa A, Nakayama Y, Takeuchi J, Ohmoto K.: Discovery of Gemilukast (ONO-6950), a Dual CysLT1 and CysLT2 Antagonist As a Therapeutic Agent for Asthma. J Med Chem, Volume 58 (15), 2015";ChEMBL
MM471987;MM471987;Cc1c(Cl)cccc1CCCCOc1ccc(C#Cc2cccc3c(CCC(=O)O)c(C)n(CCC(=O)O)c23)cc1;YNAKCKVBIRBVSO-UHFFFAOYSA-N;572.1;7.2;122183755;;;CHEMBL3597620;GENER;EPAM;25;0;"ph = 7.4, <a href=https://www.ebi.ac.uk/chembl/assay_report_card/CHEMBL3599264/  target=_blank>CHEMBL3599264</a>";;;;;;;;;-5.44;;;;;;;;;;;;"Itadani S, Yashiro K, Aratani Y, Sekiguchi T, Kinoshita A, Moriguchi H, Ohta N, Takahashi S, Ishida A, Tajima Y, Hisaichi K, Ima M, Ueda J, Egashira H, Sekioka T, Kadode M, Yonetomi Y, Nakao T, Inoue A, Nomura H, Kitamine T, Fujita M, Nabe T, Yamaura Y, Matsumura N, Imagawa A, Nakayama Y, Takeuchi J, Ohmoto K.: Discovery of Gemilukast (ONO-6950), a Dual CysLT1 and CysLT2 Antagonist As a Therapeutic Agent for Asthma. J Med Chem, Volume 58 (15), 2015";ChEMBL
MM471988;MM471988;Cc1c(Cl)cccc1CCCCOc1ccc(C#Cc2cccc3c(CCCC(=O)O)c(C)n(CCC(=O)O)c23)cc1;FXHVWKSLLGLWNF-UHFFFAOYSA-N;586.13;7.6;122183756;;;CHEMBL3597621;GENER;EPAM;25;0;"ph = 7.4, <a href=https://www.ebi.ac.uk/chembl/assay_report_card/CHEMBL3599264/  target=_blank>CHEMBL3599264</a>";;;;;;;;;-5.52;;;;;;;;;;;;"Itadani S, Yashiro K, Aratani Y, Sekiguchi T, Kinoshita A, Moriguchi H, Ohta N, Takahashi S, Ishida A, Tajima Y, Hisaichi K, Ima M, Ueda J, Egashira H, Sekioka T, Kadode M, Yonetomi Y, Nakao T, Inoue A, Nomura H, Kitamine T, Fujita M, Nabe T, Yamaura Y, Matsumura N, Imagawa A, Nakayama Y, Takeuchi J, Ohmoto K.: Discovery of Gemilukast (ONO-6950), a Dual CysLT1 and CysLT2 Antagonist As a Therapeutic Agent for Asthma. J Med Chem, Volume 58 (15), 2015";ChEMBL
MM472748;MM472748;CCC(C)Oc1cc2c(cc1OC)CC(=O)N(c1ccc(N(C)CC3CCC(N(C)C)CC3)cc1)C2c1ccc(Cl)cc1;IXFIHZIZFSCBSU-UVAXCULCSA-N;604.24;7.76;58438322;;;CHEMBL3601322;GENER;EPAM;25;0;"<a href=https://www.ebi.ac.uk/chembl/assay_report_card/CHEMBL3602286/  target=_blank>CHEMBL3602286</a>";;;;;;;;;-4.4;;;;;;;;;;;;"Holzer P, Masuya K, Furet P, Kallen J, Valat-Stachyra T, Ferretti S, Berghausen J, Bouisset-Leonard M, Buschmann N, Pissot-Soldermann C, Rynn C, Ruetz S, Stutz S, Chène P, Jeay S, Gessier F.: Discovery of a Dihydroisoquinolinone Derivative (NVP-CGM097): A Highly Potent and Selective MDM2 Inhibitor Undergoing Phase 1 Clinical Trials in p53wt Tumors. J Med Chem, Volume 58 (16), 2015";ChEMBL
MM472747;MM472747;COc1cc2c(cc1OC(C)C)C(c1ccc(Cl)cc1)N(c1ccc(N(C)CC3CCC(N(C)C)CC3)cc1)C(=O)C2;USOMPACWXVKBTM-NYRHXDHDSA-N;590.21;7.37;58438199;;;CHEMBL3601323;GENER;EPAM;25;0;"<a href=https://www.ebi.ac.uk/chembl/assay_report_card/CHEMBL3602286/  target=_blank>CHEMBL3602286</a>";;;;;;;;;-4.4;;;;;;;;;;;;"Holzer P, Masuya K, Furet P, Kallen J, Valat-Stachyra T, Ferretti S, Berghausen J, Bouisset-Leonard M, Buschmann N, Pissot-Soldermann C, Rynn C, Ruetz S, Stutz S, Chène P, Jeay S, Gessier F.: Discovery of a Dihydroisoquinolinone Derivative (NVP-CGM097): A Highly Potent and Selective MDM2 Inhibitor Undergoing Phase 1 Clinical Trials in p53wt Tumors. J Med Chem, Volume 58 (16), 2015";ChEMBL
MM472746;MM472746;COc1cc2c(cc1OC(C)C)C(c1ccc(Cl)cc1)N(c1ccc(N(C)CC3CCC(N4CNC(=O)C4)CC3)cc1)C(=O)C2;WRRNCSBXYMOEJA-JZVKYIDCSA-N;631.22;6.2;67390297;;;CHEMBL3601396;GENER;EPAM;25;0;"<a href=https://www.ebi.ac.uk/chembl/assay_report_card/CHEMBL3602286/  target=_blank>CHEMBL3602286</a>";;;;;;;;;-5.5;;;;;;;;;;;;"Holzer P, Masuya K, Furet P, Kallen J, Valat-Stachyra T, Ferretti S, Berghausen J, Bouisset-Leonard M, Buschmann N, Pissot-Soldermann C, Rynn C, Ruetz S, Stutz S, Chène P, Jeay S, Gessier F.: Discovery of a Dihydroisoquinolinone Derivative (NVP-CGM097): A Highly Potent and Selective MDM2 Inhibitor Undergoing Phase 1 Clinical Trials in p53wt Tumors. J Med Chem, Volume 58 (16), 2015";ChEMBL
MM472745;MM472745;COc1cc2c(cc1OC(C)C)C(c1ccc(Cl)cc1)N(c1ccc(N(C)CC3CCC(N4CCNC(=O)C4)CC3)cc1)C(=O)C2;BZZYIHQWCXHSMZ-FMSKOOSDSA-N;645.24;6.24;67389741;;;CHEMBL3601397;GENER;EPAM;25;0;"<a href=https://www.ebi.ac.uk/chembl/assay_report_card/CHEMBL3602286/  target=_blank>CHEMBL3602286</a>";;;;;;;;;-5.2;;;;;;;;;;;;"Holzer P, Masuya K, Furet P, Kallen J, Valat-Stachyra T, Ferretti S, Berghausen J, Bouisset-Leonard M, Buschmann N, Pissot-Soldermann C, Rynn C, Ruetz S, Stutz S, Chène P, Jeay S, Gessier F.: Discovery of a Dihydroisoquinolinone Derivative (NVP-CGM097): A Highly Potent and Selective MDM2 Inhibitor Undergoing Phase 1 Clinical Trials in p53wt Tumors. J Med Chem, Volume 58 (16), 2015";ChEMBL
MM472740;MM472740;COc1cc2c(cc1OC(C)C)C(c1ccc(Cl)cc1)N(c1ccc(N(C)CC3CCC(N4CCN(C)C(=O)C4)CC3)cc1)C(=O)C2;CLRSLRWKONPSRQ-IIPSPAQQSA-N;659.27;6.58;53240420;;;CHEMBL3601398;GENER;EPAM;25;0;"<a href=https://www.ebi.ac.uk/chembl/assay_report_card/CHEMBL3602286/  target=_blank>CHEMBL3602286</a>";;;;;;;;;-4.6;;;;;;;;;;;;"Holzer P, Masuya K, Furet P, Kallen J, Valat-Stachyra T, Ferretti S, Berghausen J, Bouisset-Leonard M, Buschmann N, Pissot-Soldermann C, Rynn C, Ruetz S, Stutz S, Chène P, Jeay S, Gessier F.: Discovery of a Dihydroisoquinolinone Derivative (NVP-CGM097): A Highly Potent and Selective MDM2 Inhibitor Undergoing Phase 1 Clinical Trials in p53wt Tumors. J Med Chem, Volume 58 (16), 2015";ChEMBL
MM472744;MM472744;COc1cc2c(cc1OC(C)C)C(c1ccc(Cl)cc1)N(c1ccc(N(C)CC3CCC(N4CC(=O)N(C)C4)CC3)nc1)C(=O)C2;QHQFWUOURSTSOD-BXKNEMSHSA-N;646.23;5.94;58437683;;;CHEMBL3601400;GENER;EPAM;25;0;"<a href=https://www.ebi.ac.uk/chembl/assay_report_card/CHEMBL3602286/  target=_blank>CHEMBL3602286</a>";;;;;;;;;-4.6;;;;;;;;;;;;"Holzer P, Masuya K, Furet P, Kallen J, Valat-Stachyra T, Ferretti S, Berghausen J, Bouisset-Leonard M, Buschmann N, Pissot-Soldermann C, Rynn C, Ruetz S, Stutz S, Chène P, Jeay S, Gessier F.: Discovery of a Dihydroisoquinolinone Derivative (NVP-CGM097): A Highly Potent and Selective MDM2 Inhibitor Undergoing Phase 1 Clinical Trials in p53wt Tumors. J Med Chem, Volume 58 (16), 2015";ChEMBL
MM472743;MM472743;COc1cc2c(cc1OC(C)C)C(c1ccc(Cl)cc1)N(c1ccc(N(C)CC3CCC(N4CCN(C)C(=O)C4)CC3)nc1)C(=O)C2;VZDNISKFMYZWGF-YFMCWZQFSA-N;660.26;5.98;58437687;;;CHEMBL3601401;GENER;EPAM;25;0;"<a href=https://www.ebi.ac.uk/chembl/assay_report_card/CHEMBL3602286/  target=_blank>CHEMBL3602286</a>";;;;;;;;;-4.7;;;;;;;;;;;;"Holzer P, Masuya K, Furet P, Kallen J, Valat-Stachyra T, Ferretti S, Berghausen J, Bouisset-Leonard M, Buschmann N, Pissot-Soldermann C, Rynn C, Ruetz S, Stutz S, Chène P, Jeay S, Gessier F.: Discovery of a Dihydroisoquinolinone Derivative (NVP-CGM097): A Highly Potent and Selective MDM2 Inhibitor Undergoing Phase 1 Clinical Trials in p53wt Tumors. J Med Chem, Volume 58 (16), 2015";ChEMBL
MM472742;MM472742;COc1cc2c(cc1OC(C)C)C(c1ccc(Cl)cc1)N(c1ccc(N(C)CC3CCC(N4CCN(C)C(=O)C4)CC3)cn1)C(=O)C2;QCZBNRNLGNLUDF-YFMCWZQFSA-N;660.26;5.98;58437582;;;CHEMBL3601402;GENER;EPAM;25;0;"<a href=https://www.ebi.ac.uk/chembl/assay_report_card/CHEMBL3602286/  target=_blank>CHEMBL3602286</a>";;;;;;;;;-4.5;;;;;;;;;;;;"Holzer P, Masuya K, Furet P, Kallen J, Valat-Stachyra T, Ferretti S, Berghausen J, Bouisset-Leonard M, Buschmann N, Pissot-Soldermann C, Rynn C, Ruetz S, Stutz S, Chène P, Jeay S, Gessier F.: Discovery of a Dihydroisoquinolinone Derivative (NVP-CGM097): A Highly Potent and Selective MDM2 Inhibitor Undergoing Phase 1 Clinical Trials in p53wt Tumors. J Med Chem, Volume 58 (16), 2015";ChEMBL
MM472741;MM472741;COc1cc2c(cc1OC(C)C)C(c1ccc(Cl)cc1)N(c1cnc(N(C)CC3CCC(N4CCN(C)C(=O)C4)CC3)cn1)C(=O)C2;PNRKMBJQIFDKIH-BXKNEMSHSA-N;661.25;5.37;58438284;;;CHEMBL3601403;GENER;EPAM;25;0;"<a href=https://www.ebi.ac.uk/chembl/assay_report_card/CHEMBL3602286/  target=_blank>CHEMBL3602286</a>";;;;;;;;;-4.3;;;;;;;;;;;;"Holzer P, Masuya K, Furet P, Kallen J, Valat-Stachyra T, Ferretti S, Berghausen J, Bouisset-Leonard M, Buschmann N, Pissot-Soldermann C, Rynn C, Ruetz S, Stutz S, Chène P, Jeay S, Gessier F.: Discovery of a Dihydroisoquinolinone Derivative (NVP-CGM097): A Highly Potent and Selective MDM2 Inhibitor Undergoing Phase 1 Clinical Trials in p53wt Tumors. J Med Chem, Volume 58 (16), 2015";ChEMBL
MM473820;MM473820;CCNCCOP(=S)(S)c1ccc(OC)cc1;;291.38;2.19;122186089;;;CHEMBL3604860;GENER;EPAM;25;0;"<a href=https://www.ebi.ac.uk/chembl/assay_report_card/CHEMBL3606801/  target=_blank>CHEMBL3606801</a>";;;;;;;;;-7.89;;;;;;;;;;;;"Feng W, Teo XY, Novera W, Ramanujulu PM, Liang D, Huang D, Moore PK, Deng LW, Dymock BW.: Discovery of New H2S Releasing Phosphordithioates and 2,3-Dihydro-2-phenyl-2-sulfanylenebenzo[d][1,3,2]oxazaphospholes with Improved Antiproliferative Activity. J Med Chem, Volume 58 (16), 2015";ChEMBL
MM473820;MM473820;CCNCCOP(=S)(S)c1ccc(OC)cc1;;291.38;2.19;122186089;;;CHEMBL3604860;GENER;EPAM;25;0;"<a href=https://www.ebi.ac.uk/chembl/assay_report_card/CHEMBL3606802/  target=_blank>CHEMBL3606802</a>";;;;;;;;;-8.39;;;;;;;;;;;;"Feng W, Teo XY, Novera W, Ramanujulu PM, Liang D, Huang D, Moore PK, Deng LW, Dymock BW.: Discovery of New H2S Releasing Phosphordithioates and 2,3-Dihydro-2-phenyl-2-sulfanylenebenzo[d][1,3,2]oxazaphospholes with Improved Antiproliferative Activity. J Med Chem, Volume 58 (16), 2015";ChEMBL
MM473821;MM473821;COc1ccc(P(=S)(S)OCCCN)cc1;;277.35;1.93;122186091;;;CHEMBL3604861;GENER;EPAM;25;0;"<a href=https://www.ebi.ac.uk/chembl/assay_report_card/CHEMBL3606801/  target=_blank>CHEMBL3606801</a>";;;;;;;;;-8.15;;;;;;;;;;;;"Feng W, Teo XY, Novera W, Ramanujulu PM, Liang D, Huang D, Moore PK, Deng LW, Dymock BW.: Discovery of New H2S Releasing Phosphordithioates and 2,3-Dihydro-2-phenyl-2-sulfanylenebenzo[d][1,3,2]oxazaphospholes with Improved Antiproliferative Activity. J Med Chem, Volume 58 (16), 2015";ChEMBL
MM473821;MM473821;COc1ccc(P(=S)(S)OCCCN)cc1;;277.35;1.93;122186091;;;CHEMBL3604861;GENER;EPAM;25;0;"<a href=https://www.ebi.ac.uk/chembl/assay_report_card/CHEMBL3606802/  target=_blank>CHEMBL3606802</a>";;;;;;;;;-8.57;;;;;;;;;;;;"Feng W, Teo XY, Novera W, Ramanujulu PM, Liang D, Huang D, Moore PK, Deng LW, Dymock BW.: Discovery of New H2S Releasing Phosphordithioates and 2,3-Dihydro-2-phenyl-2-sulfanylenebenzo[d][1,3,2]oxazaphospholes with Improved Antiproliferative Activity. J Med Chem, Volume 58 (16), 2015";ChEMBL
MM474173;MM474173;Cc1ccc(CN2CCC(N3Cc4cccc(C(N)=O)c4C3=O)CC2)cc1;AHFNDPZJODGJTG-UHFFFAOYSA-N;363.46;2.71;50943321;;;CHEMBL3605998;GENER;EPAM;25;0;"<a href=https://www.ebi.ac.uk/chembl/assay_report_card/CHEMBL3607351/  target=_blank>CHEMBL3607351</a>";;;;;;;;;-4.3;;;;;;;;;;;;"Papeo G, Posteri H, Borghi D, Busel AA, Caprera F, Casale E, Ciomei M, Cirla A, Corti E, D'Anello M, Fasolini M, Forte B, Galvani A, Isacchi A, Khvat A, Krasavin MY, Lupi R, Orsini P, Perego R, Pesenti E, Pezzetta D, Rainoldi S, Riccardi-Sirtori F, Scolaro A, Sola F, Zuccotto F, Felder ER, Donati D, Montagnoli A.: Discovery of 2-[1-(4,4-Difluorocyclohexyl)piperidin-4-yl]-6-fluoro-3-oxo-2,3-dihydro-1H-isoindole-4-carboxamide (NMS-P118): A Potent, Orally Available, and Highly Selective PARP-1 Inhibitor for Cancer Therapy. J Med Chem, Volume 58 (17), 2015";ChEMBL
MM474171;MM474171;NC(=O)c1cccc2c1C(=O)N(C1CCN(Cc3ccc4[nH]ccc4c3)CC1)C2;WFMWDGUOCLWPNZ-UHFFFAOYSA-N;388.47;2.89;50943244;;;CHEMBL3606016;GENER;EPAM;25;0;"<a href=https://www.ebi.ac.uk/chembl/assay_report_card/CHEMBL3607351/  target=_blank>CHEMBL3607351</a>";;;;;;;;;-4.38;;;;;;;;;;;;"Papeo G, Posteri H, Borghi D, Busel AA, Caprera F, Casale E, Ciomei M, Cirla A, Corti E, D'Anello M, Fasolini M, Forte B, Galvani A, Isacchi A, Khvat A, Krasavin MY, Lupi R, Orsini P, Perego R, Pesenti E, Pezzetta D, Rainoldi S, Riccardi-Sirtori F, Scolaro A, Sola F, Zuccotto F, Felder ER, Donati D, Montagnoli A.: Discovery of 2-[1-(4,4-Difluorocyclohexyl)piperidin-4-yl]-6-fluoro-3-oxo-2,3-dihydro-1H-isoindole-4-carboxamide (NMS-P118): A Potent, Orally Available, and Highly Selective PARP-1 Inhibitor for Cancer Therapy. J Med Chem, Volume 58 (17), 2015";ChEMBL
MM474172;MM474172;NC(=O)c1cccc2c1C(=O)N(C1CCN(C3CCC(F)(F)CC3)CC1)C2;UYRWBJIRLVJAMX-UHFFFAOYSA-N;377.44;2.78;50943015;;;CHEMBL3606018;GENER;EPAM;25;0;"<a href=https://www.ebi.ac.uk/chembl/assay_report_card/CHEMBL3607351/  target=_blank>CHEMBL3607351</a>";;;;;;;;;-4.54;;;;;;;;;;;;"Papeo G, Posteri H, Borghi D, Busel AA, Caprera F, Casale E, Ciomei M, Cirla A, Corti E, D'Anello M, Fasolini M, Forte B, Galvani A, Isacchi A, Khvat A, Krasavin MY, Lupi R, Orsini P, Perego R, Pesenti E, Pezzetta D, Rainoldi S, Riccardi-Sirtori F, Scolaro A, Sola F, Zuccotto F, Felder ER, Donati D, Montagnoli A.: Discovery of 2-[1-(4,4-Difluorocyclohexyl)piperidin-4-yl]-6-fluoro-3-oxo-2,3-dihydro-1H-isoindole-4-carboxamide (NMS-P118): A Potent, Orally Available, and Highly Selective PARP-1 Inhibitor for Cancer Therapy. J Med Chem, Volume 58 (17), 2015";ChEMBL
MM474174;MM474174;NC(=O)c1cc(F)cc2c1C(=O)N(C1CCN(C3CCC(F)(F)CC3)CC1)C2;ARYVAQSYRLZVQD-UHFFFAOYSA-N;395.43;2.92;49843531;;;CHEMBL3606021;GENER;EPAM;25;0;"<a href=https://www.ebi.ac.uk/chembl/assay_report_card/CHEMBL3607351/  target=_blank>CHEMBL3607351</a>";;;;;;;;;-4.54;;;;;;;;;;;;"Papeo G, Posteri H, Borghi D, Busel AA, Caprera F, Casale E, Ciomei M, Cirla A, Corti E, D'Anello M, Fasolini M, Forte B, Galvani A, Isacchi A, Khvat A, Krasavin MY, Lupi R, Orsini P, Perego R, Pesenti E, Pezzetta D, Rainoldi S, Riccardi-Sirtori F, Scolaro A, Sola F, Zuccotto F, Felder ER, Donati D, Montagnoli A.: Discovery of 2-[1-(4,4-Difluorocyclohexyl)piperidin-4-yl]-6-fluoro-3-oxo-2,3-dihydro-1H-isoindole-4-carboxamide (NMS-P118): A Potent, Orally Available, and Highly Selective PARP-1 Inhibitor for Cancer Therapy. J Med Chem, Volume 58 (17), 2015";ChEMBL
MM473268;MM473268;CC(=O)N1CCC(c2nc(N3CCN(C)CC3)ncc2-c2cc(C)no2)CC1;HHFJUFNRCWNQJY-UHFFFAOYSA-N;384.48;1.92;122186918;;;CHEMBL3608503;GENER;EPAM;25;0;"<a href=https://www.ebi.ac.uk/chembl/assay_report_card/CHEMBL3610564/  target=_blank>CHEMBL3610564</a>";;;;;;;;;-5.7;;;;;;;;;;;;"Del Bello F, Farande A, Giannella M, Piergentili A, Quaglia W, Benicchi T, Cappelli F, Nencini A, Salerno M, Thomas RJ, Travagli M, Varrone M.: Identification of 2-aminopyrimidine derivatives as inhibitors of the canonical Wnt signaling pathway. Bioorg Med Chem, Volume 23 (17), 2015";ChEMBL
MM473269;MM473269;CC(=O)N1CCC(c2nc(NCc3cccnc3)ncc2-c2cc(C)no2)CC1;MCZNYNVUZUXTSN-UHFFFAOYSA-N;392.46;3.17;122186920;;;CHEMBL3608505;GENER;EPAM;25;0;"<a href=https://www.ebi.ac.uk/chembl/assay_report_card/CHEMBL3610564/  target=_blank>CHEMBL3610564</a>";;;;;;;;;-5.7;;;;;;;;;;;;"Del Bello F, Farande A, Giannella M, Piergentili A, Quaglia W, Benicchi T, Cappelli F, Nencini A, Salerno M, Thomas RJ, Travagli M, Varrone M.: Identification of 2-aminopyrimidine derivatives as inhibitors of the canonical Wnt signaling pathway. Bioorg Med Chem, Volume 23 (17), 2015";ChEMBL
MM473270;MM473270;CC(=O)N1CCC(c2nc(NCc3ccccn3)ncc2-c2cc(C)no2)CC1;LYFPYYHYWZMJNN-UHFFFAOYSA-N;392.46;3.17;122186921;;;CHEMBL3608506;GENER;EPAM;25;0;"<a href=https://www.ebi.ac.uk/chembl/assay_report_card/CHEMBL3610564/  target=_blank>CHEMBL3610564</a>";;;;;;;;;-5.7;;;;;;;;;;;;"Del Bello F, Farande A, Giannella M, Piergentili A, Quaglia W, Benicchi T, Cappelli F, Nencini A, Salerno M, Thomas RJ, Travagli M, Varrone M.: Identification of 2-aminopyrimidine derivatives as inhibitors of the canonical Wnt signaling pathway. Bioorg Med Chem, Volume 23 (17), 2015";ChEMBL
MM473271;MM473271;COCCNc1ncc(-c2cc(C)no2)c(C2CCN(C(C)=O)CC2)n1;BWNIJXMBJMRIIG-UHFFFAOYSA-N;359.43;2.22;122186924;;;CHEMBL3608509;GENER;EPAM;25;0;"<a href=https://www.ebi.ac.uk/chembl/assay_report_card/CHEMBL3610564/  target=_blank>CHEMBL3610564</a>";;;;;;;;;-5.7;;;;;;;;;;;;"Del Bello F, Farande A, Giannella M, Piergentili A, Quaglia W, Benicchi T, Cappelli F, Nencini A, Salerno M, Thomas RJ, Travagli M, Varrone M.: Identification of 2-aminopyrimidine derivatives as inhibitors of the canonical Wnt signaling pathway. Bioorg Med Chem, Volume 23 (17), 2015";ChEMBL
MM471665;MM471665;CCC(C)C1NC(=O)C2CCCN2C(=O)C(Cc2ccccc2)NC(=O)C(C)NC(=O)c2csc(n2)C(C(C)CC)NC(=O)C2CCCN2C1=O;WRYMAGLGOZIEQC-BBYXVEBWSA-N;721.93;2.72;42639974;;;CHEMBL3616775;GENER;EPAM;25;0;"ph = 7.4, <a href=https://www.ebi.ac.uk/chembl/assay_report_card/CHEMBL3620851/  target=_blank>CHEMBL3620851</a>";;;;;;;;;-5.28;;;;;;;;;;;;"Bockus AT, Schwochert JA, Pye CR, Townsend CE, Sok V, Bednarek MA, Lokey RS.: Going Out on a Limb: Delineating The Effects of β-Branching, N-Methylation, and Side Chain Size on the Passive Permeability, Solubility, and Flexibility of Sanguinamide A Analogues. J Med Chem, Volume 58 (18), 2015";ChEMBL
MM471664;MM471664;CCC(C)C1NC(=O)C2CCCN2C(=O)C(Cc2ccccc2)NC(=O)C(C)NC(=O)c2csc(n2)C(CC(C)C)NC(=O)C2CCCN2C1=O;VYYBCILESAYSSU-ABJITVNWSA-N;721.93;2.72;122189792;;;CHEMBL3616776;GENER;EPAM;25;0;"ph = 7.4, <a href=https://www.ebi.ac.uk/chembl/assay_report_card/CHEMBL3620851/  target=_blank>CHEMBL3620851</a>";;;;;;;;;-5.25;;;;;;;;;;;;"Bockus AT, Schwochert JA, Pye CR, Townsend CE, Sok V, Bednarek MA, Lokey RS.: Going Out on a Limb: Delineating The Effects of β-Branching, N-Methylation, and Side Chain Size on the Passive Permeability, Solubility, and Flexibility of Sanguinamide A Analogues. J Med Chem, Volume 58 (18), 2015";ChEMBL
MM471663;MM471663;CCC(C)C1NC(=O)C2CCCN2C(=O)C(CC(C)C)NC(=O)C2CCCN2C(=O)C(Cc2ccccc2)NC(=O)C(C)NC(=O)c2csc1n2;XRBJRRUDGYDQMD-ABJITVNWSA-N;721.93;2.72;122189793;;;CHEMBL3616777;GENER;EPAM;25;0;"ph = 7.4, <a href=https://www.ebi.ac.uk/chembl/assay_report_card/CHEMBL3620851/  target=_blank>CHEMBL3620851</a>";;;;;;;;;-5.28;;;;;;;;;;;;"Bockus AT, Schwochert JA, Pye CR, Townsend CE, Sok V, Bednarek MA, Lokey RS.: Going Out on a Limb: Delineating The Effects of β-Branching, N-Methylation, and Side Chain Size on the Passive Permeability, Solubility, and Flexibility of Sanguinamide A Analogues. J Med Chem, Volume 58 (18), 2015";ChEMBL
MM471662;MM471662;CCC(C)C1NC(=O)C2CCCN2C(=O)C(Cc2ccccc2)NC(=O)C(C)NC(=O)c2csc(n2)C(C(C)C)NC(=O)C2CCCN2C1=O;TVYRJMOFWNDDGD-HIFWOLGQSA-N;707.9;2.33;122189794;;;CHEMBL3616778;GENER;EPAM;25;0;"ph = 7.4, <a href=https://www.ebi.ac.uk/chembl/assay_report_card/CHEMBL3620851/  target=_blank>CHEMBL3620851</a>";;;;;;;;;-5.32;;;;;;;;;;;;"Bockus AT, Schwochert JA, Pye CR, Townsend CE, Sok V, Bednarek MA, Lokey RS.: Going Out on a Limb: Delineating The Effects of β-Branching, N-Methylation, and Side Chain Size on the Passive Permeability, Solubility, and Flexibility of Sanguinamide A Analogues. J Med Chem, Volume 58 (18), 2015";ChEMBL
MM471661;MM471661;CCC(C)C1NC(=O)C2CCCN2C(=O)C(C(C)C)NC(=O)C2CCCN2C(=O)C(Cc2ccccc2)NC(=O)C(C)NC(=O)c2csc1n2;HEXGUSGVAUKXFA-HIFWOLGQSA-N;707.9;2.33;122189795;;;CHEMBL3616779;GENER;EPAM;25;0;"ph = 7.4, <a href=https://www.ebi.ac.uk/chembl/assay_report_card/CHEMBL3620851/  target=_blank>CHEMBL3620851</a>";;;;;;;;;-5.31;;;;;;;;;;;;"Bockus AT, Schwochert JA, Pye CR, Townsend CE, Sok V, Bednarek MA, Lokey RS.: Going Out on a Limb: Delineating The Effects of β-Branching, N-Methylation, and Side Chain Size on the Passive Permeability, Solubility, and Flexibility of Sanguinamide A Analogues. J Med Chem, Volume 58 (18), 2015";ChEMBL
MM471660;MM471660;CC(C)C1NC(=O)c2csc(n2)C(C(C)C)NC(=O)C2CCCN2C(=O)C(C(C)C)NC(=O)C2CCCN2C(=O)C(Cc2ccccc2)NC1=O;ZJZYPFMFNGDOEQ-POPCVQDUSA-N;721.93;2.57;122189796;;;CHEMBL3616780;GENER;EPAM;25;0;"ph = 7.4, <a href=https://www.ebi.ac.uk/chembl/assay_report_card/CHEMBL3620851/  target=_blank>CHEMBL3620851</a>";;;;;;;;;-5.33;;;;;;;;;;;;"Bockus AT, Schwochert JA, Pye CR, Townsend CE, Sok V, Bednarek MA, Lokey RS.: Going Out on a Limb: Delineating The Effects of β-Branching, N-Methylation, and Side Chain Size on the Passive Permeability, Solubility, and Flexibility of Sanguinamide A Analogues. J Med Chem, Volume 58 (18), 2015";ChEMBL
MM471659;MM471659;CCC(C)C1NC(=O)C2CCCN2C(=O)C(C(C)O)NC(=O)C2CCCN2C(=O)C(Cc2ccccc2)NC(=O)C(C)NC(=O)c2csc1n2;BTAGUDKMHRNOJG-ANSWJGDTSA-N;709.87;1.05;122189797;;;CHEMBL3616781;GENER;EPAM;25;0;"ph = 7.4, <a href=https://www.ebi.ac.uk/chembl/assay_report_card/CHEMBL3620851/  target=_blank>CHEMBL3620851</a>";;;;;;;;;-6.7;;;;;;;;;;;;"Bockus AT, Schwochert JA, Pye CR, Townsend CE, Sok V, Bednarek MA, Lokey RS.: Going Out on a Limb: Delineating The Effects of β-Branching, N-Methylation, and Side Chain Size on the Passive Permeability, Solubility, and Flexibility of Sanguinamide A Analogues. J Med Chem, Volume 58 (18), 2015";ChEMBL
MM471658;MM471658;CCC(C)C1NC(=O)C2CCCN2C(=O)C(Cc2ccccc2)NC(=O)C(C)N(C)C(=O)c2csc(n2)C(C(C)CC)NC(=O)C2CCCN2C1=O;QPNBXLHLCGFWJX-KUXUZMBDSA-N;735.95;3.06;122189798;;;CHEMBL3616782;GENER;EPAM;25;0;"ph = 7.4, <a href=https://www.ebi.ac.uk/chembl/assay_report_card/CHEMBL3620851/  target=_blank>CHEMBL3620851</a>";;;;;;;;;-6.3;;;;;;;;;;;;"Bockus AT, Schwochert JA, Pye CR, Townsend CE, Sok V, Bednarek MA, Lokey RS.: Going Out on a Limb: Delineating The Effects of β-Branching, N-Methylation, and Side Chain Size on the Passive Permeability, Solubility, and Flexibility of Sanguinamide A Analogues. J Med Chem, Volume 58 (18), 2015";ChEMBL
MM471657;MM471657;CCC(C)C1NC(=O)C2CCCN2C(=O)C(C(C)CC)N(C)C(=O)C2CCCN2C(=O)C(Cc2ccccc2)NC(=O)C(C)NC(=O)c2csc1n2;LBPNFHXZFSPLPM-KUXUZMBDSA-N;735.95;3.06;122189799;;;CHEMBL3616783;GENER;EPAM;25;0;"ph = 7.4, <a href=https://www.ebi.ac.uk/chembl/assay_report_card/CHEMBL3620851/  target=_blank>CHEMBL3620851</a>";;;;;;;;;-5.89;;;;;;;;;;;;"Bockus AT, Schwochert JA, Pye CR, Townsend CE, Sok V, Bednarek MA, Lokey RS.: Going Out on a Limb: Delineating The Effects of β-Branching, N-Methylation, and Side Chain Size on the Passive Permeability, Solubility, and Flexibility of Sanguinamide A Analogues. J Med Chem, Volume 58 (18), 2015";ChEMBL
MM471656;MM471656;CCC(C)C1NC(=O)C2CCCN2C(=O)C(Cc2ccccc2)N(C)C(=O)C(C)NC(=O)c2csc(n2)C(C(C)CC)NC(=O)C2CCCN2C1=O;SBMUNCPYFGCZIQ-YQZNXJQNSA-N;735.95;3.06;122189800;;;CHEMBL3616784;GENER;EPAM;25;0;"ph = 7.4, <a href=https://www.ebi.ac.uk/chembl/assay_report_card/CHEMBL3620851/  target=_blank>CHEMBL3620851</a>";;;;;;;;;-4.96;;;;;;;;;;;;"Bockus AT, Schwochert JA, Pye CR, Townsend CE, Sok V, Bednarek MA, Lokey RS.: Going Out on a Limb: Delineating The Effects of β-Branching, N-Methylation, and Side Chain Size on the Passive Permeability, Solubility, and Flexibility of Sanguinamide A Analogues. J Med Chem, Volume 58 (18), 2015";ChEMBL
MM471655;MM471655;CCC(C)C1NC(=O)C2CCCN2C(=O)C(C(C)C)NC(=O)C2CCCN2C(=O)C(Cc2ccccc2)N(C)C(=O)C(C)NC(=O)c2csc1n2;BQTAMBWEFHWTBU-FOIAGIETSA-N;721.93;2.67;122189801;;;CHEMBL3616785;GENER;EPAM;25;0;"ph = 7.4, <a href=https://www.ebi.ac.uk/chembl/assay_report_card/CHEMBL3620851/  target=_blank>CHEMBL3620851</a>";;;;;;;;;-5.04;;;;;;;;;;;;"Bockus AT, Schwochert JA, Pye CR, Townsend CE, Sok V, Bednarek MA, Lokey RS.: Going Out on a Limb: Delineating The Effects of β-Branching, N-Methylation, and Side Chain Size on the Passive Permeability, Solubility, and Flexibility of Sanguinamide A Analogues. J Med Chem, Volume 58 (18), 2015";ChEMBL
MM471654;MM471654;CCC(C)C1NC(=O)C2CCCN2C(=O)C(Cc2ccccc2)NC(=O)C(C(C)(C)C)NC(=O)c2csc(n2)C(C(C)CC)NC(=O)C2CCCN2C1=O;QNILUMLOKSTVOM-XSOUIOSLSA-N;764.01;3.75;122189802;;;CHEMBL3616786;GENER;EPAM;25;0;"ph = 7.4, <a href=https://www.ebi.ac.uk/chembl/assay_report_card/CHEMBL3620851/  target=_blank>CHEMBL3620851</a>";;;;;;;;;-5.66;;;;;;;;;;;;"Bockus AT, Schwochert JA, Pye CR, Townsend CE, Sok V, Bednarek MA, Lokey RS.: Going Out on a Limb: Delineating The Effects of β-Branching, N-Methylation, and Side Chain Size on the Passive Permeability, Solubility, and Flexibility of Sanguinamide A Analogues. J Med Chem, Volume 58 (18), 2015";ChEMBL
MM471653;MM471653;CCC(C)C1NC(=O)c2csc(n2)C(C(C)CC)NC(=O)C2CCCN2C(=O)C(C(C)CC)NC(=O)C2CCCN2C(=O)C(Cc2ccccc2)NC1=O;MAVYAHYLEKLCNP-FQOMANLJSA-N;764.01;3.75;122189803;;;CHEMBL3616787;GENER;EPAM;25;0;"ph = 7.4, <a href=https://www.ebi.ac.uk/chembl/assay_report_card/CHEMBL3620851/  target=_blank>CHEMBL3620851</a>";;;;;;;;;-5.21;;;;;;;;;;;;"Bockus AT, Schwochert JA, Pye CR, Townsend CE, Sok V, Bednarek MA, Lokey RS.: Going Out on a Limb: Delineating The Effects of β-Branching, N-Methylation, and Side Chain Size on the Passive Permeability, Solubility, and Flexibility of Sanguinamide A Analogues. J Med Chem, Volume 58 (18), 2015";ChEMBL
MM471652;MM471652;CCC(C)C1NC(=O)C2CCCN2C(=O)C(Cc2ccccc2)NC(=O)C(CC(C)C)NC(=O)c2csc(n2)C(C(C)CC)NC(=O)C2CCCN2C1=O;NMJOBNXJXFKPSI-ICCDRXOOSA-N;764.01;3.75;122189804;;;CHEMBL3616788;GENER;EPAM;25;0;"ph = 7.4, <a href=https://www.ebi.ac.uk/chembl/assay_report_card/CHEMBL3620851/  target=_blank>CHEMBL3620851</a>";;;;;;;;;-5.33;;;;;;;;;;;;"Bockus AT, Schwochert JA, Pye CR, Townsend CE, Sok V, Bednarek MA, Lokey RS.: Going Out on a Limb: Delineating The Effects of β-Branching, N-Methylation, and Side Chain Size on the Passive Permeability, Solubility, and Flexibility of Sanguinamide A Analogues. J Med Chem, Volume 58 (18), 2015";ChEMBL
MM471651;MM471651;CCC(C)C1NC(=O)C2CCCN2C(=O)C(Cc2ccccc2)N(C)C(=O)C(C(C)(C)C)NC(=O)c2csc(n2)C(C(C)CC)NC(=O)C2CCCN2C1=O;HIVTXBSWOJIFPY-MZMJYJJTSA-N;778.03;4.09;122189805;;;CHEMBL3616789;GENER;EPAM;25;0;"ph = 7.4, <a href=https://www.ebi.ac.uk/chembl/assay_report_card/CHEMBL3620851/  target=_blank>CHEMBL3620851</a>";;;;;;;;;-5.68;;;;;;;;;;;;"Bockus AT, Schwochert JA, Pye CR, Townsend CE, Sok V, Bednarek MA, Lokey RS.: Going Out on a Limb: Delineating The Effects of β-Branching, N-Methylation, and Side Chain Size on the Passive Permeability, Solubility, and Flexibility of Sanguinamide A Analogues. J Med Chem, Volume 58 (18), 2015";ChEMBL
MM471650;MM471650;CCC(C)C1NC(=O)c2csc(n2)C(C(C)CC)NC(=O)C2CCCN2C(=O)C(C(C)CC)NC(=O)C2CCCN2C(=O)C(Cc2ccccc2)N(C)C1=O;SVQGJGIIXWJVFW-VNVWLANGSA-N;778.03;4.09;122189806;;;CHEMBL3616790;GENER;EPAM;25;0;"ph = 7.4, <a href=https://www.ebi.ac.uk/chembl/assay_report_card/CHEMBL3620851/  target=_blank>CHEMBL3620851</a>";;;;;;;;;-5.82;;;;;;;;;;;;"Bockus AT, Schwochert JA, Pye CR, Townsend CE, Sok V, Bednarek MA, Lokey RS.: Going Out on a Limb: Delineating The Effects of β-Branching, N-Methylation, and Side Chain Size on the Passive Permeability, Solubility, and Flexibility of Sanguinamide A Analogues. J Med Chem, Volume 58 (18), 2015";ChEMBL
MM471649;MM471649;CCC(C)C1NC(=O)C2CCCN2C(=O)C(Cc2ccccc2)N(C)C(=O)C(CC(C)C)NC(=O)c2csc(n2)C(C(C)CC)NC(=O)C2CCCN2C1=O;GZWPGOBWQGMSJI-RIRKSLKXSA-N;778.03;4.09;122189807;;;CHEMBL3616791;GENER;EPAM;25;0;"ph = 7.4, <a href=https://www.ebi.ac.uk/chembl/assay_report_card/CHEMBL3620851/  target=_blank>CHEMBL3620851</a>";;;;;;;;;-4.76;;;;;;;;;;;;"Bockus AT, Schwochert JA, Pye CR, Townsend CE, Sok V, Bednarek MA, Lokey RS.: Going Out on a Limb: Delineating The Effects of β-Branching, N-Methylation, and Side Chain Size on the Passive Permeability, Solubility, and Flexibility of Sanguinamide A Analogues. J Med Chem, Volume 58 (18), 2015";ChEMBL
MM474529;MM474529;O=C(Cc1ccc(Cl)cc1Cl)NCc1ccc(O)c(O)c1;BKPCQXGBKRAJDW-UHFFFAOYSA-N;326.18;3.26;122189958;;;CHEMBL3617002;GENER;EPAM;25;0;"<a href=https://www.ebi.ac.uk/chembl/assay_report_card/CHEMBL3620434/  target=_blank>CHEMBL3620434</a>";;;;;;;;;-5.41;;;;;;;;;;;;"Chapman TM, Gillen KJ, Wallace C, Lee MT, Bakrania P, Khurana P, Coombs PJ, Stennett L, Fox S, Bureau EA, Brownlees J, Melton DW, Saxty B.: Catechols and 3-hydroxypyridones as inhibitors of the DNA repair complex ERCC1-XPF. Bioorg Med Chem Lett, Volume 25 (19), 2015";ChEMBL
MM474532;MM474532;CNC(=O)c1nc(-c2cccs2)[nH]c(=O)c1O;MAOSMWFVKCTXKC-UHFFFAOYSA-N;251.27;0.56;136094876;;;CHEMBL3617205;GENER;EPAM;25;0;"<a href=https://www.ebi.ac.uk/chembl/assay_report_card/CHEMBL3619497/  target=_blank>CHEMBL3619497</a>";;;;;;;;;-5.51;;;;;;;;;;;;"Chapman TM, Wallace C, Gillen KJ, Bakrania P, Khurana P, Coombs PJ, Fox S, Bureau EA, Brownlees J, Melton DW, Saxty B.: N-Hydroxyimides and hydroxypyrimidinones as inhibitors of the DNA repair complex ERCC1-XPF. Bioorg Med Chem Lett, Volume 25 (19), 2015";ChEMBL
MM474533;MM474533;CCC(C)NC(=O)c1nc(-c2cccs2)[nH]c(=O)c1O;VHPLAPYKPDNJDR-UHFFFAOYSA-N;293.35;1.73;136094880;;;CHEMBL3617209;GENER;EPAM;25;0;"<a href=https://www.ebi.ac.uk/chembl/assay_report_card/CHEMBL3619497/  target=_blank>CHEMBL3619497</a>";;;;;;;;;-5.01;;;;;;;;;;;;"Chapman TM, Wallace C, Gillen KJ, Bakrania P, Khurana P, Coombs PJ, Fox S, Bureau EA, Brownlees J, Melton DW, Saxty B.: N-Hydroxyimides and hydroxypyrimidinones as inhibitors of the DNA repair complex ERCC1-XPF. Bioorg Med Chem Lett, Volume 25 (19), 2015";ChEMBL
MM471989;MM471989;CC(C)c1ccc2c(c1)CC[C@H]1[C@](C)(CNS(=O)(=O)c3c(F)c(F)c(F)c(F)c3F)CCC[C@]21C;JYSJXBUZXYKFST-LGIRGXTLSA-N;515.59;6.49;;;;;GENER;EPAM;25;0;"ph = 7.4, <a href=https://www.ebi.ac.uk/chembl/assay_report_card/CHEMBL3620239/  target=_blank>CHEMBL3620239</a>";;;;;;;;;-4.2;;;;;;;;;;;;"Ling T, Tran M, González MA, Gautam LN, Connelly M, Wood RK, Fatima I, Miranda-Carboni G, Rivas F.: (+)-Dehydroabietylamine derivatives target triple-negative breast cancer. Eur J Med Chem, Volume 102, 2015";ChEMBL
MM471990;MM471990;O=C(O)c1ccnc(-c2cn(C3CCCN(C(=O)c4ccccc4)C3)nn2)c1;;377.4;2.52;101882871;;;CHEMBL3621881;GENER;EPAM;25;0;"ph = 5, <a href=https://www.ebi.ac.uk/chembl/assay_report_card/CHEMBL3624708/  target=_blank>CHEMBL3624708</a>";;;;;;;;;-5.72;;;;;;;;;;;;"England KS, Tumber A, Krojer T, Scozzafava G, Ng SS, Daniel M, Szykowska A, Che K, von Delft F, Burgess-Brown NA, Kawamura A, Schofield CJ, Brennan PE.: Optimisation of a triazolopyridine based histone demethylase inhibitor yields a potent and selective KDM2A (FBXL11) inhibitor. Medchemcomm, Volume 5 (12), 2014";ChEMBL
MM471990;MM471990;O=C(O)c1ccnc(-c2cn(C3CCCN(C(=O)c4ccccc4)C3)nn2)c1;;377.4;2.52;101882871;;;CHEMBL3621881;GENER;EPAM;25;0;"ph = 6.2, <a href=https://www.ebi.ac.uk/chembl/assay_report_card/CHEMBL3624707/  target=_blank>CHEMBL3624707</a>";;;;;;;;;-6.39;;;;;;;;;;;;"England KS, Tumber A, Krojer T, Scozzafava G, Ng SS, Daniel M, Szykowska A, Che K, von Delft F, Burgess-Brown NA, Kawamura A, Schofield CJ, Brennan PE.: Optimisation of a triazolopyridine based histone demethylase inhibitor yields a potent and selective KDM2A (FBXL11) inhibitor. Medchemcomm, Volume 5 (12), 2014";ChEMBL
MM471990;MM471990;O=C(O)c1ccnc(-c2cn(C3CCCN(C(=O)c4ccccc4)C3)nn2)c1;;377.4;2.52;101882871;;;CHEMBL3621881;GENER;EPAM;25;0;"ph = 7.4, <a href=https://www.ebi.ac.uk/chembl/assay_report_card/CHEMBL3624706/  target=_blank>CHEMBL3624706</a>";;;;;;;;;-6.16;;;;;;;;;;;;"England KS, Tumber A, Krojer T, Scozzafava G, Ng SS, Daniel M, Szykowska A, Che K, von Delft F, Burgess-Brown NA, Kawamura A, Schofield CJ, Brennan PE.: Optimisation of a triazolopyridine based histone demethylase inhibitor yields a potent and selective KDM2A (FBXL11) inhibitor. Medchemcomm, Volume 5 (12), 2014";ChEMBL
MM471991;MM471991;COC(=O)c1ccnc(-c2cn(C3CCCN(C(=O)c4ccccc4)C3)nn2)c1;;391.43;2.6;122191483;;;CHEMBL3621883;GENER;EPAM;25;0;"ph = 5, <a href=https://www.ebi.ac.uk/chembl/assay_report_card/CHEMBL3624708/  target=_blank>CHEMBL3624708</a>";;;;;;;;;-4.25;;;;;;;;;;;;"England KS, Tumber A, Krojer T, Scozzafava G, Ng SS, Daniel M, Szykowska A, Che K, von Delft F, Burgess-Brown NA, Kawamura A, Schofield CJ, Brennan PE.: Optimisation of a triazolopyridine based histone demethylase inhibitor yields a potent and selective KDM2A (FBXL11) inhibitor. Medchemcomm, Volume 5 (12), 2014";ChEMBL
MM471991;MM471991;COC(=O)c1ccnc(-c2cn(C3CCCN(C(=O)c4ccccc4)C3)nn2)c1;;391.43;2.6;122191483;;;CHEMBL3621883;GENER;EPAM;25;0;"ph = 6.2, <a href=https://www.ebi.ac.uk/chembl/assay_report_card/CHEMBL3624707/  target=_blank>CHEMBL3624707</a>";;;;;;;;;-4.35;;;;;;;;;;;;"England KS, Tumber A, Krojer T, Scozzafava G, Ng SS, Daniel M, Szykowska A, Che K, von Delft F, Burgess-Brown NA, Kawamura A, Schofield CJ, Brennan PE.: Optimisation of a triazolopyridine based histone demethylase inhibitor yields a potent and selective KDM2A (FBXL11) inhibitor. Medchemcomm, Volume 5 (12), 2014";ChEMBL
MM471991;MM471991;COC(=O)c1ccnc(-c2cn(C3CCCN(C(=O)c4ccccc4)C3)nn2)c1;;391.43;2.6;122191483;;;CHEMBL3621883;GENER;EPAM;25;0;"ph = 7.4, <a href=https://www.ebi.ac.uk/chembl/assay_report_card/CHEMBL3624706/  target=_blank>CHEMBL3624706</a>";;;;;;;;;-4.28;;;;;;;;;;;;"England KS, Tumber A, Krojer T, Scozzafava G, Ng SS, Daniel M, Szykowska A, Che K, von Delft F, Burgess-Brown NA, Kawamura A, Schofield CJ, Brennan PE.: Optimisation of a triazolopyridine based histone demethylase inhibitor yields a potent and selective KDM2A (FBXL11) inhibitor. Medchemcomm, Volume 5 (12), 2014";ChEMBL
MM472078;MM472078;CCn1c(C(=O)N(C2CC2)C2CC2)cc2c3c(ncn3C)c(Nc3nc(C)c(C)s3)nc21;IHSTUTBJVPZZHZ-UHFFFAOYSA-N;449.58;4.53;58180596;;;CHEMBL3622137;GENER;EPAM;25;0;"ph = 7.4, <a href=https://www.ebi.ac.uk/chembl/assay_report_card/CHEMBL3625500/  target=_blank>CHEMBL3625500</a>";;;;;;;;;-4.27;;;;;;;;;;;;"Hart AC, Schroeder GM, Wan H, Grebinski J, Inghrim J, Kempson J, Guo J, Pitts WJ, Tokarski JS, Sack JS, Khan JA, Lippy J, Lorenzi MV, You D, McDevitt T, Vuppugalla R, Zhang Y, Lombardo LJ, Trainor GL, Purandare AV.: Structure-Based Design of Selective Janus Kinase 2 Imidazo[4,5-d]pyrrolo[2,3-b]pyridine Inhibitors. ACS Med Chem Lett, Volume 6 (8), 2015";ChEMBL
MM472749;MM472749;CC(Oc1cc(-c2cnn(C)c2)cc2ncsc12)C1CNC(=O)C1;MQEBEQHUWNEFHX-ZYHUDNBSSA-N;342.42;2.6;122191640;;;CHEMBL3622204;GENER;EPAM;25;0;"<a href=https://www.ebi.ac.uk/chembl/assay_report_card/CHEMBL3627502/  target=_blank>CHEMBL3627502</a>";;;;;;;;;-4.9;;;;;;;;;;;;"Thoma G, Veenstra S, Strang R, Blanz J, Vangrevelinghe E, Berghausen J, Lee CC, Zerwes HG.: Orally bioavailable Syk inhibitors with activity in a rat PK/PD model. Bioorg Med Chem Lett, Volume 25 (20), 2015";ChEMBL
MM472750;MM472750;CC(Oc1nc(-c2cnn(C)c2)cc2ncsc12)C1CNC(=O)C1;ARQUPPGWWWYWOI-NXEZZACHSA-N;343.41;2;122191641;;;CHEMBL3622205;GENER;EPAM;25;0;"<a href=https://www.ebi.ac.uk/chembl/assay_report_card/CHEMBL3627502/  target=_blank>CHEMBL3627502</a>";;;;;;;;;-4.9;;;;;;;;;;;;"Thoma G, Veenstra S, Strang R, Blanz J, Vangrevelinghe E, Berghausen J, Lee CC, Zerwes HG.: Orally bioavailable Syk inhibitors with activity in a rat PK/PD model. Bioorg Med Chem Lett, Volume 25 (20), 2015";ChEMBL
MM472751;MM472751;CC(Oc1cc(-c2cnn(C)c2)cc2nscc12)C1CNC(=O)C1;KTRYUWPHTHSFQT-ZYHUDNBSSA-N;342.42;2.6;122191642;;;CHEMBL3622206;GENER;EPAM;25;0;"<a href=https://www.ebi.ac.uk/chembl/assay_report_card/CHEMBL3627502/  target=_blank>CHEMBL3627502</a>";;;;;;;;;-4.9;;;;;;;;;;;;"Thoma G, Veenstra S, Strang R, Blanz J, Vangrevelinghe E, Berghausen J, Lee CC, Zerwes HG.: Orally bioavailable Syk inhibitors with activity in a rat PK/PD model. Bioorg Med Chem Lett, Volume 25 (20), 2015";ChEMBL
MM472752;MM472752;CC(Oc1nc(-c2cnn(C)c2)cc2nscc12)C1CNC(=O)C1;UVAKITWUHZQGNR-NXEZZACHSA-N;343.41;2;122191643;;;CHEMBL3622207;GENER;EPAM;25;0;"<a href=https://www.ebi.ac.uk/chembl/assay_report_card/CHEMBL3627502/  target=_blank>CHEMBL3627502</a>";;;;;;;;;-4.9;;;;;;;;;;;;"Thoma G, Veenstra S, Strang R, Blanz J, Vangrevelinghe E, Berghausen J, Lee CC, Zerwes HG.: Orally bioavailable Syk inhibitors with activity in a rat PK/PD model. Bioorg Med Chem Lett, Volume 25 (20), 2015";ChEMBL
MM472757;MM472757;NCCn1c(C2CCNCC2)nc2cc(C(N)=O)ccc21;;287.37;0.56;122192069;;;CHEMBL3622826;GENER;EPAM;25;0;"<a href=https://www.ebi.ac.uk/chembl/assay_report_card/CHEMBL3817419/  target=_blank>CHEMBL3817419</a>";;;;;;;;;-5.12;;;;;;;;;;;;"Kim H, Kim MK, Choo H, Chong Y.: Novel JAK1-selective benzimidazole inhibitors with enhanced membrane permeability. Bioorg Med Chem Lett, Volume 26 (14), 2016";ChEMBL
MM472757;MM472757;NCCn1c(C2CCNCC2)nc2cc(C(N)=O)ccc21;;287.37;0.56;122192069;;;CHEMBL3622826;GENER;EPAM;25;0;"<a href=https://www.ebi.ac.uk/chembl/assay_report_card/CHEMBL3624085/  target=_blank>CHEMBL3624085</a>";;;;;;;;;-7;;;;;;;;;;;;"Kim MK, Shin H, Park KS, Kim H, Park J, Kim K, Nam J, Choo H, Chong Y.: Benzimidazole Derivatives as Potent JAK1-Selective Inhibitors. J Med Chem, Volume 58 (18), 2015";ChEMBL
MM471666;MM471666;CNC(=O)C1=Cc2ccccc2S(=O)(=O)N1C;;252.3;0.41;46870654;;;CHEMBL3623482;GENER;EPAM;25;0;"ph = 5, <a href=https://www.ebi.ac.uk/chembl/assay_report_card/CHEMBL3625612/  target=_blank>CHEMBL3625612</a>";;;;;;;;;-5.23;;;;;;;;;;;;"Tanaka T, Yajima N, Tanitame A, Kiyoshi T, Miura Y.: Discovery of benzothiazine derivatives as novel, orally-active anti-epileptic drug candidates with broad anticonvulsant effect. Bioorg Med Chem Lett, Volume 25 (20), 2015";ChEMBL
MM471666;MM471666;CNC(=O)C1=Cc2ccccc2S(=O)(=O)N1C;;252.3;0.41;46870654;;;CHEMBL3623482;GENER;EPAM;25;0;"ph = 7.4, <a href=https://www.ebi.ac.uk/chembl/assay_report_card/CHEMBL3625611/  target=_blank>CHEMBL3625611</a>";;;;;;;;;-5.23;;;;;;;;;;;;"Tanaka T, Yajima N, Tanitame A, Kiyoshi T, Miura Y.: Discovery of benzothiazine derivatives as novel, orally-active anti-epileptic drug candidates with broad anticonvulsant effect. Bioorg Med Chem Lett, Volume 25 (20), 2015";ChEMBL
MM471667;MM471667;CCNC(=O)C1=Cc2ccccc2S(=O)(=O)N1C;;266.32;0.8;46870652;;;CHEMBL3623483;GENER;EPAM;25;0;"ph = 5, <a href=https://www.ebi.ac.uk/chembl/assay_report_card/CHEMBL3625612/  target=_blank>CHEMBL3625612</a>";;;;;;;;;-5.23;;;;;;;;;;;;"Tanaka T, Yajima N, Tanitame A, Kiyoshi T, Miura Y.: Discovery of benzothiazine derivatives as novel, orally-active anti-epileptic drug candidates with broad anticonvulsant effect. Bioorg Med Chem Lett, Volume 25 (20), 2015";ChEMBL
MM471667;MM471667;CCNC(=O)C1=Cc2ccccc2S(=O)(=O)N1C;;266.32;0.8;46870652;;;CHEMBL3623483;GENER;EPAM;25;0;"ph = 7.4, <a href=https://www.ebi.ac.uk/chembl/assay_report_card/CHEMBL3625611/  target=_blank>CHEMBL3625611</a>";;;;;;;;;-5.23;;;;;;;;;;;;"Tanaka T, Yajima N, Tanitame A, Kiyoshi T, Miura Y.: Discovery of benzothiazine derivatives as novel, orally-active anti-epileptic drug candidates with broad anticonvulsant effect. Bioorg Med Chem Lett, Volume 25 (20), 2015";ChEMBL
MM471668;MM471668;CN1C(C(=O)NC2CC2)=Cc2ccccc2S1(=O)=O;;278.33;0.94;46870657;;;CHEMBL3623484;GENER;EPAM;25;0;"ph = 5, <a href=https://www.ebi.ac.uk/chembl/assay_report_card/CHEMBL3625612/  target=_blank>CHEMBL3625612</a>";;;;;;;;;-5.23;;;;;;;;;;;;"Tanaka T, Yajima N, Tanitame A, Kiyoshi T, Miura Y.: Discovery of benzothiazine derivatives as novel, orally-active anti-epileptic drug candidates with broad anticonvulsant effect. Bioorg Med Chem Lett, Volume 25 (20), 2015";ChEMBL
MM471668;MM471668;CN1C(C(=O)NC2CC2)=Cc2ccccc2S1(=O)=O;;278.33;0.94;46870657;;;CHEMBL3623484;GENER;EPAM;25;0;"ph = 7.4, <a href=https://www.ebi.ac.uk/chembl/assay_report_card/CHEMBL3625611/  target=_blank>CHEMBL3625611</a>";;;;;;;;;-5.23;;;;;;;;;;;;"Tanaka T, Yajima N, Tanitame A, Kiyoshi T, Miura Y.: Discovery of benzothiazine derivatives as novel, orally-active anti-epileptic drug candidates with broad anticonvulsant effect. Bioorg Med Chem Lett, Volume 25 (20), 2015";ChEMBL
MM471669;MM471669;CCCNC(=O)C1=Cc2ccccc2S(=O)(=O)N1C;;280.35;1.19;46870656;;;CHEMBL3623485;GENER;EPAM;25;0;"ph = 5, <a href=https://www.ebi.ac.uk/chembl/assay_report_card/CHEMBL3625612/  target=_blank>CHEMBL3625612</a>";;;;;;;;;-5.23;;;;;;;;;;;;"Tanaka T, Yajima N, Tanitame A, Kiyoshi T, Miura Y.: Discovery of benzothiazine derivatives as novel, orally-active anti-epileptic drug candidates with broad anticonvulsant effect. Bioorg Med Chem Lett, Volume 25 (20), 2015";ChEMBL
MM471669;MM471669;CCCNC(=O)C1=Cc2ccccc2S(=O)(=O)N1C;;280.35;1.19;46870656;;;CHEMBL3623485;GENER;EPAM;25;0;"ph = 7.4, <a href=https://www.ebi.ac.uk/chembl/assay_report_card/CHEMBL3625611/  target=_blank>CHEMBL3625611</a>";;;;;;;;;-5.23;;;;;;;;;;;;"Tanaka T, Yajima N, Tanitame A, Kiyoshi T, Miura Y.: Discovery of benzothiazine derivatives as novel, orally-active anti-epileptic drug candidates with broad anticonvulsant effect. Bioorg Med Chem Lett, Volume 25 (20), 2015";ChEMBL
MM471670;MM471670;CN1C(C(=O)NC2CC2)=C(Cl)c2ccccc2S1(=O)=O;;312.78;1.51;46870465;;;CHEMBL3623486;GENER;EPAM;25;0;"ph = 5, <a href=https://www.ebi.ac.uk/chembl/assay_report_card/CHEMBL3625612/  target=_blank>CHEMBL3625612</a>";;;;;;;;;-4.92;;;;;;;;;;;;"Tanaka T, Yajima N, Tanitame A, Kiyoshi T, Miura Y.: Discovery of benzothiazine derivatives as novel, orally-active anti-epileptic drug candidates with broad anticonvulsant effect. Bioorg Med Chem Lett, Volume 25 (20), 2015";ChEMBL
MM471670;MM471670;CN1C(C(=O)NC2CC2)=C(Cl)c2ccccc2S1(=O)=O;;312.78;1.51;46870465;;;CHEMBL3623486;GENER;EPAM;25;0;"ph = 7.4, <a href=https://www.ebi.ac.uk/chembl/assay_report_card/CHEMBL3625611/  target=_blank>CHEMBL3625611</a>";;;;;;;;;-4.92;;;;;;;;;;;;"Tanaka T, Yajima N, Tanitame A, Kiyoshi T, Miura Y.: Discovery of benzothiazine derivatives as novel, orally-active anti-epileptic drug candidates with broad anticonvulsant effect. Bioorg Med Chem Lett, Volume 25 (20), 2015";ChEMBL
MM471671;MM471671;CC1=C(C(=O)NC2CC2)N(C)S(=O)(=O)c2ccccc21;;292.36;1.33;122192527;;;CHEMBL3623488;GENER;EPAM;25;0;"ph = 5, <a href=https://www.ebi.ac.uk/chembl/assay_report_card/CHEMBL3625612/  target=_blank>CHEMBL3625612</a>";;;;;;;;;-4.92;;;;;;;;;;;;"Tanaka T, Yajima N, Tanitame A, Kiyoshi T, Miura Y.: Discovery of benzothiazine derivatives as novel, orally-active anti-epileptic drug candidates with broad anticonvulsant effect. Bioorg Med Chem Lett, Volume 25 (20), 2015";ChEMBL
MM471671;MM471671;CC1=C(C(=O)NC2CC2)N(C)S(=O)(=O)c2ccccc21;;292.36;1.33;122192527;;;CHEMBL3623488;GENER;EPAM;25;0;"ph = 7.4, <a href=https://www.ebi.ac.uk/chembl/assay_report_card/CHEMBL3625611/  target=_blank>CHEMBL3625611</a>";;;;;;;;;-4.92;;;;;;;;;;;;"Tanaka T, Yajima N, Tanitame A, Kiyoshi T, Miura Y.: Discovery of benzothiazine derivatives as novel, orally-active anti-epileptic drug candidates with broad anticonvulsant effect. Bioorg Med Chem Lett, Volume 25 (20), 2015";ChEMBL
MM471672;MM471672;CN1C(C(=O)NC2CC2)=C(C2CC2)c2ccccc2S1(=O)=O;;318.4;1.72;122192528;;;CHEMBL3623489;GENER;EPAM;25;0;"ph = 5, <a href=https://www.ebi.ac.uk/chembl/assay_report_card/CHEMBL3625612/  target=_blank>CHEMBL3625612</a>";;;;;;;;;-4.92;;;;;;;;;;;;"Tanaka T, Yajima N, Tanitame A, Kiyoshi T, Miura Y.: Discovery of benzothiazine derivatives as novel, orally-active anti-epileptic drug candidates with broad anticonvulsant effect. Bioorg Med Chem Lett, Volume 25 (20), 2015";ChEMBL
MM471672;MM471672;CN1C(C(=O)NC2CC2)=C(C2CC2)c2ccccc2S1(=O)=O;;318.4;1.72;122192528;;;CHEMBL3623489;GENER;EPAM;25;0;"ph = 7.4, <a href=https://www.ebi.ac.uk/chembl/assay_report_card/CHEMBL3625611/  target=_blank>CHEMBL3625611</a>";;;;;;;;;-4.92;;;;;;;;;;;;"Tanaka T, Yajima N, Tanitame A, Kiyoshi T, Miura Y.: Discovery of benzothiazine derivatives as novel, orally-active anti-epileptic drug candidates with broad anticonvulsant effect. Bioorg Med Chem Lett, Volume 25 (20), 2015";ChEMBL
MM474179;MM474179;CCC(=O)NC1CCCc2c(-c3ccc(C#N)cc3)cncc21;ITXORCJLPUUDIY-UHFFFAOYSA-N;305.38;3.52;71811363;;;CHEMBL3623824;GENER;EPAM;25;0;"<a href=https://www.ebi.ac.uk/chembl/assay_report_card/CHEMBL3624658/  target=_blank>CHEMBL3624658</a>";;;;;;;;;-5.28;;;;;;;;;;;;"Martin RE, Aebi JD, Hornsperger B, Krebs HJ, Kuhn B, Kuglstatter A, Alker AM, Märki HP, Müller S, Burger D, Ottaviani G, Riboulet W, Verry P, Tan X, Amrein K, Mayweg AV.: Discovery of 4-Aryl-5,6,7,8-tetrahydroisoquinolines as Potent, Selective, and Orally Active Aldosterone Synthase (CYP11B2) Inhibitors: In Vivo Evaluation in Rodents and Cynomolgus Monkeys. J Med Chem, Volume 58 (20), 2015";ChEMBL
MM474180;MM474180;CCC(=O)N[C@@H]1CCCc2c(-c3ccc(C#N)cc3)cncc21;ITXORCJLPUUDIY-GOSISDBHSA-N;305.38;3.52;;;;;GENER;EPAM;25;0;"<a href=https://www.ebi.ac.uk/chembl/assay_report_card/CHEMBL3624658/  target=_blank>CHEMBL3624658</a>";;;;;;;;;-5.32;;;;;;;;;;;;"Martin RE, Aebi JD, Hornsperger B, Krebs HJ, Kuhn B, Kuglstatter A, Alker AM, Märki HP, Müller S, Burger D, Ottaviani G, Riboulet W, Verry P, Tan X, Amrein K, Mayweg AV.: Discovery of 4-Aryl-5,6,7,8-tetrahydroisoquinolines as Potent, Selective, and Orally Active Aldosterone Synthase (CYP11B2) Inhibitors: In Vivo Evaluation in Rodents and Cynomolgus Monkeys. J Med Chem, Volume 58 (20), 2015";ChEMBL
MM471673;MM471673;CCOC(=O)N1C2CCC1CC(CN1CCC(N3Cc4ccccc4NC3=O)C1)C2;BUYVTPGEWYQFCF-RSPOEFSDSA-N;412.53;3.51;122195090;;;CHEMBL3633184;GENER;EPAM;25;0;"ph = 7.4, <a href=https://www.ebi.ac.uk/chembl/assay_report_card/CHEMBL3635139/  target=_blank>CHEMBL3635139</a>";;;;;;;;;-4.27;;;;;;;;;;;;"Uruno Y, Konishi Y, Suwa A, Takai K, Tojo K, Nakako T, Sakai M, Enomoto T, Matsuda H, Kitamura A, Sumiyoshi T.: Discovery of dihydroquinazolinone derivatives as potent, selective, and CNS-penetrant M(1) and M(4) muscarinic acetylcholine receptors agonists. Bioorg Med Chem Lett, Volume 25 (22), 2015";ChEMBL
MM474192;MM474192;Cc1c(N2CC(N)C2)c(F)cc2c(=O)c(C(=O)O)cn(-c3nc(N)c(F)cc3F)c12;YJRFYAWJFKONJD-UHFFFAOYSA-N;419.36;1.54;;;;;GENER;EPAM;25;0;"<a href=https://www.ebi.ac.uk/chembl/assay_report_card/CHEMBL3635760/  target=_blank>CHEMBL3635760</a>";;;;;;;;;-6.92;;;;;;;;;;;;"Itoh K, Kuramoto Y, Amano H, Kazamori D, Yazaki A.: Discovery of WQ-3810: Design, synthesis, and evaluation of 7-(3-alkylaminoazetidin-1-yl)fluoro-quinolones as orally active antibacterial agents. Eur J Med Chem, Volume 103, 2015";ChEMBL
MM474193;MM474193;CNC1CN(c2c(F)cc3c(=O)c(C(=O)O)cn(-c4nc(N)c(F)cc4F)c3c2C)C1;UMIUJKXRGOKQSJ-UHFFFAOYSA-N;433.39;1.8;;;;;GENER;EPAM;25;0;"<a href=https://www.ebi.ac.uk/chembl/assay_report_card/CHEMBL3635760/  target=_blank>CHEMBL3635760</a>";;;;;;;;;-6.72;;;;;;;;;;;;"Itoh K, Kuramoto Y, Amano H, Kazamori D, Yazaki A.: Discovery of WQ-3810: Design, synthesis, and evaluation of 7-(3-alkylaminoazetidin-1-yl)fluoro-quinolones as orally active antibacterial agents. Eur J Med Chem, Volume 103, 2015";ChEMBL
MM474194;MM474194;CCNC1CN(c2c(F)cc3c(=O)c(C(=O)O)cn(-c4nc(N)c(F)cc4F)c3c2C)C1;XIQHTMHVFRRPKO-UHFFFAOYSA-N;447.42;2.19;;;;;GENER;EPAM;25;0;"<a href=https://www.ebi.ac.uk/chembl/assay_report_card/CHEMBL3635760/  target=_blank>CHEMBL3635760</a>";;;;;;;;;-6.54;;;;;;;;;;;;"Itoh K, Kuramoto Y, Amano H, Kazamori D, Yazaki A.: Discovery of WQ-3810: Design, synthesis, and evaluation of 7-(3-alkylaminoazetidin-1-yl)fluoro-quinolones as orally active antibacterial agents. Eur J Med Chem, Volume 103, 2015";ChEMBL
MM474195;MM474195;CCCNC1CN(c2c(F)cc3c(=O)c(C(=O)O)cn(-c4nc(N)c(F)cc4F)c3c2C)C1;QYWWAPQGCKJESQ-UHFFFAOYSA-N;461.44;2.58;;;;;GENER;EPAM;25;0;"<a href=https://www.ebi.ac.uk/chembl/assay_report_card/CHEMBL3635760/  target=_blank>CHEMBL3635760</a>";;;;;;;;;-5.96;;;;;;;;;;;;"Itoh K, Kuramoto Y, Amano H, Kazamori D, Yazaki A.: Discovery of WQ-3810: Design, synthesis, and evaluation of 7-(3-alkylaminoazetidin-1-yl)fluoro-quinolones as orally active antibacterial agents. Eur J Med Chem, Volume 103, 2015";ChEMBL
MM474196;MM474196;Cc1c(N2CC(NC(C)C)C2)c(F)cc2c(=O)c(C(=O)O)cn(-c3nc(N)c(F)cc3F)c12;MJMVUQNNSOBCGF-UHFFFAOYSA-N;461.44;2.58;;;;;GENER;EPAM;25;0;"<a href=https://www.ebi.ac.uk/chembl/assay_report_card/CHEMBL3635760/  target=_blank>CHEMBL3635760</a>";;;;;;;;;-5.92;;;;;;;;;;;;"Itoh K, Kuramoto Y, Amano H, Kazamori D, Yazaki A.: Discovery of WQ-3810: Design, synthesis, and evaluation of 7-(3-alkylaminoazetidin-1-yl)fluoro-quinolones as orally active antibacterial agents. Eur J Med Chem, Volume 103, 2015";ChEMBL
MM472753;MM472753;COc1ccc(C(C)NC(=O)COc2cc(C(F)(F)F)c3c(-c4ccccc4)nn(C)c3n2)cc1;GUDQJFKBBOAOIC-HNNXBMFYSA-N;484.48;4.92;70817382;;;CHEMBL3634013;GENER;EPAM;25;0;"<a href=https://www.ebi.ac.uk/chembl/assay_report_card/CHEMBL3635617/  target=_blank>CHEMBL3635617</a>";;;;;;;;;-4;;;;;;;;;;;;"Behnke D, Cotesta S, Hintermann S, Fendt M, Gee CE, Jacobson LH, Laue G, Meyer A, Wagner T, Badiger S, Chaudhari V, Chebrolu M, Pandit C, Hoyer D, Betschart C.: Discovery of 1H-pyrazolo[3,4-b]pyridines as potent dual orexin receptor antagonists (DORAs). Bioorg Med Chem Lett, Volume 25 (23), 2015";ChEMBL
MM472754;MM472754;Cc1n[nH]c(C)c1C(C)NC(=O)COc1cc(C(F)(F)F)c2c(-c3ccccc3)nn(C)c2n1;KNSSBXCHRPNPDS-LBPRGKRZSA-N;472.47;4.25;70817239;;;CHEMBL3634015;GENER;EPAM;25;0;"<a href=https://www.ebi.ac.uk/chembl/assay_report_card/CHEMBL3635617/  target=_blank>CHEMBL3635617</a>";;;;;;;;;-4.1;;;;;;;;;;;;"Behnke D, Cotesta S, Hintermann S, Fendt M, Gee CE, Jacobson LH, Laue G, Meyer A, Wagner T, Badiger S, Chaudhari V, Chebrolu M, Pandit C, Hoyer D, Betschart C.: Discovery of 1H-pyrazolo[3,4-b]pyridines as potent dual orexin receptor antagonists (DORAs). Bioorg Med Chem Lett, Volume 25 (23), 2015";ChEMBL
MM474181;MM474181;O=c1ccc(-c2ccc(OCc3ccc4ccccc4n3)cc2)c(-c2ccccc2)[nH]1;ZXSGFWVBKHFTBY-UHFFFAOYSA-N;404.47;5.84;122196340;;;CHEMBL3634744;GENER;EPAM;25;0;"<a href=https://www.ebi.ac.uk/chembl/assay_report_card/CHEMBL3636191/  target=_blank>CHEMBL3636191</a>";;;;;;;;;-5.54;;;;;;;;;;;;"Lingam VS, Dahale DH, Rathi VE, Shingote YB, Thakur RR, Mindhe AS, Kummari S, Khairatkar-Joshi N, Bajpai M, Shah DM, Sapalya RS, Gullapalli S, Gupta PK, Gudi GS, Jadhav SB, Pattem R, Thomas A.: Design, Synthesis, and Pharmacological Evaluation of 5,6-Disubstituted Pyridin-2(1H)-one Derivatives as Phosphodiesterase 10A (PDE10A) Antagonists. J Med Chem, Volume 58 (20), 2015";ChEMBL
MM474182;MM474182;O=c1ccc(-c2ccc(OCc3ccc4ccccc4n3)cc2)c(-c2ccc(F)cc2)[nH]1;OOOKPENMJKOYJM-UHFFFAOYSA-N;422.46;5.98;;;;;GENER;EPAM;25;0;"<a href=https://www.ebi.ac.uk/chembl/assay_report_card/CHEMBL3636191/  target=_blank>CHEMBL3636191</a>";;;;;;;;;-5.54;;;;;;;;;;;;"Lingam VS, Dahale DH, Rathi VE, Shingote YB, Thakur RR, Mindhe AS, Kummari S, Khairatkar-Joshi N, Bajpai M, Shah DM, Sapalya RS, Gullapalli S, Gupta PK, Gudi GS, Jadhav SB, Pattem R, Thomas A.: Design, Synthesis, and Pharmacological Evaluation of 5,6-Disubstituted Pyridin-2(1H)-one Derivatives as Phosphodiesterase 10A (PDE10A) Antagonists. J Med Chem, Volume 58 (20), 2015";ChEMBL
MM474183;MM474183;O=c1ccc(-c2ccc(OCc3ccc4ccccc4n3)cc2)c(-c2ccc(F)cc2F)[nH]1;NMRFPRMCGFXOEN-UHFFFAOYSA-N;440.45;6.11;122196345;;;CHEMBL3634749;GENER;EPAM;25;0;"<a href=https://www.ebi.ac.uk/chembl/assay_report_card/CHEMBL3636191/  target=_blank>CHEMBL3636191</a>";;;;;;;;;-5.54;;;;;;;;;;;;"Lingam VS, Dahale DH, Rathi VE, Shingote YB, Thakur RR, Mindhe AS, Kummari S, Khairatkar-Joshi N, Bajpai M, Shah DM, Sapalya RS, Gullapalli S, Gupta PK, Gudi GS, Jadhav SB, Pattem R, Thomas A.: Design, Synthesis, and Pharmacological Evaluation of 5,6-Disubstituted Pyridin-2(1H)-one Derivatives as Phosphodiesterase 10A (PDE10A) Antagonists. J Med Chem, Volume 58 (20), 2015";ChEMBL
MM473135;MM473135;COC(=O)C(CCCN=C(N)N)NC(=O)C(N)Cc1ccc(-c2ccccc2)cc1;YUQJDKXEZYUTNJ-OALUTQOASA-N;411.51;0.93;44396200;;;CHEMBL364106;GENER;EPAM;25;0;"<a href=https://www.ebi.ac.uk/chembl/assay_report_card/CHEMBL1769838/  target=_blank>CHEMBL1769838</a>";;;;;;;;;-5.97;;;;;;;;;;;;"Flaten GE, Kottra G, Stensen W, Isaksen G, Karstad R, Svendsen JS, Daniel H, Svenson J.: In vitro characterization of human peptide transporter hPEPT1 interactions and passive permeation studies of short cationic antimicrobial peptides. J Med Chem, Volume 54 (7), 2011";ChEMBL
MM472012;MM472012;CC1(O)CC(c2nc(-c3ccc4ccc(-c5ccccc5)nc4c3F)c3c(N)ncnn23)C1;;440.48;4.36;53319267;;;CHEMBL1667935;GENER;EPAM;25;0;"ph = 5, <a href=https://www.ebi.ac.uk/chembl/assay_report_card/CHEMBL1695283/  target=_blank>CHEMBL1695283</a>";;;;;;;;;-3.96;;;;;;;;;;;;"Jin M, Gokhale PC, Cooke A, Foreman K, Buck E, May EW, Feng L, Bittner MA, Kadalbajoo M, Landfair D, Siu KW, Stolz KM, Werner DS, Laufer RS, Li AH, Dong H, Steinig AG, Kleinberg A, Yao Y, Pachter JA, Wild R, Mulvihill MJ.: Discovery of an Orally Efficacious Imidazo[5,1-f][1,2,4]triazine Dual Inhibitor of IGF-1R and IR. ACS Med Chem Lett, Volume 1 (9), 2010";ChEMBL
MM473134;MM473134;CC(C)(C)c1cc(C(C)(C)C)c2[nH]c(C(C)(C)C)c(C[C@H](N)C(=O)N[C@@H](CCCNC(=N)N)C(N)=O)c2c1;UVDFAMGJNCXXNC-SFTDATJTSA-N;527.76;3.16;;;;;GENER;EPAM;25;0;"<a href=https://www.ebi.ac.uk/chembl/assay_report_card/CHEMBL1769838/  target=_blank>CHEMBL1769838</a>";;;;;;;;;-6.37;;;;;;;;;;;;"Flaten GE, Kottra G, Stensen W, Isaksen G, Karstad R, Svendsen JS, Daniel H, Svenson J.: In vitro characterization of human peptide transporter hPEPT1 interactions and passive permeation studies of short cationic antimicrobial peptides. J Med Chem, Volume 54 (7), 2011";ChEMBL
MM472012;MM472012;CC1(O)CC(c2nc(-c3ccc4ccc(-c5ccccc5)nc4c3F)c3c(N)ncnn23)C1;;440.48;4.36;53319267;;;CHEMBL1667935;GENER;EPAM;25;0;"ph = 7.4, <a href=https://www.ebi.ac.uk/chembl/assay_report_card/CHEMBL1695284/  target=_blank>CHEMBL1695284</a>";;;;;;;;;-3.96;;;;;;;;;;;;"Jin M, Gokhale PC, Cooke A, Foreman K, Buck E, May EW, Feng L, Bittner MA, Kadalbajoo M, Landfair D, Siu KW, Stolz KM, Werner DS, Laufer RS, Li AH, Dong H, Steinig AG, Kleinberg A, Yao Y, Pachter JA, Wild R, Mulvihill MJ.: Discovery of an Orally Efficacious Imidazo[5,1-f][1,2,4]triazine Dual Inhibitor of IGF-1R and IR. ACS Med Chem Lett, Volume 1 (9), 2010";ChEMBL
MM473306;MM473306;CCC(CC1COC(N)=N1)c1ccccc1;IXDKFUBXESWHSL-JQWIXIFHSA-N;218.3;2.28;24963286;;;CHEMBL3684869;GENER;EPAM;25;0;"<a href=https://www.ebi.ac.uk/chembl/assay_report_card/CHEMBL3783769/  target=_blank>CHEMBL3783769</a>";;;;;;;;;-4.97;;;;;;;;;;;;"Galley G, Beurier A, Décoret G, Goergler A, Hutter R, Mohr S, Pähler A, Schmid P, Türck D, Unger R, Zbinden KG, Hoener MC, Norcross RD.: Discovery and Characterization of 2-Aminooxazolines as Highly Potent, Selective, and Orally Active TAAR1 Agonists. ACS Med Chem Lett, Volume 7 (2), 2016";ChEMBL
MM474241;MM474241;CCCCCc1cc(O)cc2c1Oc1cc(O)cc(C(=O)CCCC)c1C(=O)O2;ZSMRNRJMUKTCNH-UHFFFAOYSA-N;398.46;5.53;233380;;;CHEMBL368810;GENER;EPAM;25;0;"<a href=https://www.ebi.ac.uk/chembl/assay_report_card/CHEMBL3860212/  target=_blank>CHEMBL3860212</a>";;;;;;;;;-4.49;;;;;;;;;;;;"Talapatra SK, Rath O, Clayton E, Tomasi S, Kozielski F.: Depsidones from Lichens as Natural Product Inhibitors of M-Phase Phosphoprotein 1, a Human Kinesin Required for Cytokinesis. J Nat Prod, Volume 79 (6), 2016";ChEMBL
MM473652;MM473652;O=C(O)CNc1cccc(CN(Cc2ccc(-n3cccn3)cc2)S(=O)(=O)c2cccnc2)n1;YHGSTSNEOJUIRN-UHFFFAOYSA-N;478.53;2.55;44230575;;;CHEMBL3707245;GENER;EPAM;25;0;"<a href=https://www.ebi.ac.uk/chembl/assay_report_card/CHEMBL4326157/  target=_blank>CHEMBL4326157</a>";;;;;;;;;-6.05;;;;;;;;;;;;"Iwamura R, Tanaka M, Okanari E, Kirihara T, Odani-Kawabata N, Shams N, Yoneda K.: Identification of a Selective, Non-Prostanoid EP2 Receptor Agonist for the Treatment of Glaucoma: Omidenepag and its Prodrug Omidenepag Isopropyl. J Med Chem, Volume 61 (15), 2018";ChEMBL
MM473293;MM473293;CN1CCN(C(=O)c2ccc(N3CCc4c(-c5cnc(N)nc5)nc(N5CCOCC5)nc43)cn2)CC1;QLHBERFTXVZIID-UHFFFAOYSA-N;502.58;0.83;59244941;;;CHEMBL3734954;GENER;EPAM;25;0;"<a href=https://www.ebi.ac.uk/chembl/assay_report_card/CHEMBL3736948/  target=_blank>CHEMBL3736948</a>";;;;;;;;;-5.79;;;;;;;;;;;;"Kawada H, Ebiike H, Tsukazaki M, Yamamoto S, Koyama K, Nakamura M, Morikami K, Yoshinari K, Yoshida M, Ogawa K, Shinma N, Tsukuda T, Ohwada J.: Modification of a dihydropyrrolopyrimidine phosphoinositide 3-kinase (PI3K) inhibitor to improve oral bioavailability. Bioorg Med Chem, Volume 23 (24), 2015";ChEMBL
MM473290;MM473290;CN1CCN(Cc2ccc(N3CCc4c(-c5cnc(N)nc5)nc(N5CCOCC5)nc43)cc2)CC1;BDNMMZKQDZZLBX-UHFFFAOYSA-N;487.61;1.79;59244213;;;CHEMBL3735088;GENER;EPAM;25;0;"<a href=https://www.ebi.ac.uk/chembl/assay_report_card/CHEMBL3736948/  target=_blank>CHEMBL3736948</a>";;;;;;;;;-6.04;;;;;;;;;;;;"Kawada H, Ebiike H, Tsukazaki M, Yamamoto S, Koyama K, Nakamura M, Morikami K, Yoshinari K, Yoshida M, Ogawa K, Shinma N, Tsukuda T, Ohwada J.: Modification of a dihydropyrrolopyrimidine phosphoinositide 3-kinase (PI3K) inhibitor to improve oral bioavailability. Bioorg Med Chem, Volume 23 (24), 2015";ChEMBL
MM472341;MM472341;Cc1noc(-c2nc(C)c3c(c2N)C(=O)N(Cc2cccc(OC(F)(F)F)c2)C3=O)n1;GPCYGOZRZYOAEV-UHFFFAOYSA-N;433.35;3.03;;;;;GENER;EPAM;25;0;"ph = 6.5, <a href=https://www.ebi.ac.uk/chembl/assay_report_card/CHEMBL3737532/  target=_blank>CHEMBL3737532</a>";;;;;;;;;-6.1;;;;;;;;;;;;"van der Westhuyzen R, Winks S, Wilson CR, Boyle GA, Gessner RK, Soares de Melo C, Taylor D, de Kock C, Njoroge M, Brunschwig C, Lawrence N, Rao SP, Sirgel F, van Helden P, Seldon R, Moosa A, Warner DF, Arista L, Manjunatha UH, Smith PW, Street LJ, Chibale K.: Pyrrolo[3,4-c]pyridine-1,3(2H)-diones: A Novel Antimycobacterial Class Targeting Mycobacterial Respiration. J Med Chem, Volume 58 (23), 2015";ChEMBL
MM473295;MM473295;CN1CCN(C(=O)c2cccc(N3CCc4c(-c5cnc(N)nc5)nc(N5CCOCC5)nc43)c2)CC1;WLFNJMGPVOWFPV-UHFFFAOYSA-N;501.6;1.43;59244527;;;CHEMBL3735567;GENER;EPAM;25;0;"<a href=https://www.ebi.ac.uk/chembl/assay_report_card/CHEMBL3736948/  target=_blank>CHEMBL3736948</a>";;;;;;;;;-5.75;;;;;;;;;;;;"Kawada H, Ebiike H, Tsukazaki M, Yamamoto S, Koyama K, Nakamura M, Morikami K, Yoshinari K, Yoshida M, Ogawa K, Shinma N, Tsukuda T, Ohwada J.: Modification of a dihydropyrrolopyrimidine phosphoinositide 3-kinase (PI3K) inhibitor to improve oral bioavailability. Bioorg Med Chem, Volume 23 (24), 2015";ChEMBL
MM473296;MM473296;CN1CCN(C(=O)c2ccc(N3CCc4c(-c5cnc(N)nc5)nc(N5CCOCC5)nc43)cc2)CC1;AXRPBWXWDKFKQI-UHFFFAOYSA-N;501.6;1.43;59244698;;;CHEMBL3735840;GENER;EPAM;25;0;"<a href=https://www.ebi.ac.uk/chembl/assay_report_card/CHEMBL3736948/  target=_blank>CHEMBL3736948</a>";;;;;;;;;-5.91;;;;;;;;;;;;"Kawada H, Ebiike H, Tsukazaki M, Yamamoto S, Koyama K, Nakamura M, Morikami K, Yoshinari K, Yoshida M, Ogawa K, Shinma N, Tsukuda T, Ohwada J.: Modification of a dihydropyrrolopyrimidine phosphoinositide 3-kinase (PI3K) inhibitor to improve oral bioavailability. Bioorg Med Chem, Volume 23 (24), 2015";ChEMBL
MM473298;MM473298;Nc1ncc(-c2nc(N3CCOCC3)nc3c2CCN3c2ccc(CN3CCOCC3)cc2F)cn1;SOQGJELWEBZPQE-UHFFFAOYSA-N;492.56;2.02;59244276;;;CHEMBL3736010;GENER;EPAM;25;0;"<a href=https://www.ebi.ac.uk/chembl/assay_report_card/CHEMBL3736948/  target=_blank>CHEMBL3736948</a>";;;;;;;;;-5.38;;;;;;;;;;;;"Kawada H, Ebiike H, Tsukazaki M, Yamamoto S, Koyama K, Nakamura M, Morikami K, Yoshinari K, Yoshida M, Ogawa K, Shinma N, Tsukuda T, Ohwada J.: Modification of a dihydropyrrolopyrimidine phosphoinositide 3-kinase (PI3K) inhibitor to improve oral bioavailability. Bioorg Med Chem, Volume 23 (24), 2015";ChEMBL
MM473297;MM473297;Nc1ncc(-c2nc(N3CCOCC3)nc3c2CCN3c2ccc(CN3CCOCC3)cc2)cn1;ONGPNQNAQCYDCY-UHFFFAOYSA-N;474.57;1.88;59244594;;;CHEMBL3736186;GENER;EPAM;25;0;"<a href=https://www.ebi.ac.uk/chembl/assay_report_card/CHEMBL3736948/  target=_blank>CHEMBL3736948</a>";;;;;;;;;-5.34;;;;;;;;;;;;"Kawada H, Ebiike H, Tsukazaki M, Yamamoto S, Koyama K, Nakamura M, Morikami K, Yoshinari K, Yoshida M, Ogawa K, Shinma N, Tsukuda T, Ohwada J.: Modification of a dihydropyrrolopyrimidine phosphoinositide 3-kinase (PI3K) inhibitor to improve oral bioavailability. Bioorg Med Chem, Volume 23 (24), 2015";ChEMBL
MM473294;MM473294;CN1CCN(C(=O)c2cncc(N3CCc4c(-c5cnc(N)nc5)nc(N5CCOCC5)nc43)c2)CC1;FSUCEMOGNYKIMJ-UHFFFAOYSA-N;502.58;0.83;59244568;;;CHEMBL3736189;GENER;EPAM;25;0;"<a href=https://www.ebi.ac.uk/chembl/assay_report_card/CHEMBL3736948/  target=_blank>CHEMBL3736948</a>";;;;;;;;;-6.14;;;;;;;;;;;;"Kawada H, Ebiike H, Tsukazaki M, Yamamoto S, Koyama K, Nakamura M, Morikami K, Yoshinari K, Yoshida M, Ogawa K, Shinma N, Tsukuda T, Ohwada J.: Modification of a dihydropyrrolopyrimidine phosphoinositide 3-kinase (PI3K) inhibitor to improve oral bioavailability. Bioorg Med Chem, Volume 23 (24), 2015";ChEMBL
MM473291;MM473291;Nc1ncc(-c2nc(N3CCOCC3)nc3c2CCN3c2ccc(C(=O)N3CCOCC3)cc2F)cn1;KQFMAOYLUCFTTP-UHFFFAOYSA-N;506.54;1.66;59244360;;;CHEMBL3736206;GENER;EPAM;25;0;"<a href=https://www.ebi.ac.uk/chembl/assay_report_card/CHEMBL3736948/  target=_blank>CHEMBL3736948</a>";;;;;;;;;-5.5;;;;;;;;;;;;"Kawada H, Ebiike H, Tsukazaki M, Yamamoto S, Koyama K, Nakamura M, Morikami K, Yoshinari K, Yoshida M, Ogawa K, Shinma N, Tsukuda T, Ohwada J.: Modification of a dihydropyrrolopyrimidine phosphoinositide 3-kinase (PI3K) inhibitor to improve oral bioavailability. Bioorg Med Chem, Volume 23 (24), 2015";ChEMBL
MM472340;MM472340;Cc1noc(-c2nc(C)c3c(c2N)C(=O)N(Cc2cccc(Cl)c2)C3=O)n1;XURRYTAPDZZBLI-UHFFFAOYSA-N;383.8;2.78;127035193;;;CHEMBL3736488;GENER;EPAM;25;0;"ph = 6.5, <a href=https://www.ebi.ac.uk/chembl/assay_report_card/CHEMBL3737532/  target=_blank>CHEMBL3737532</a>";;;;;;;;;-5;;;;;;;;;;;;"van der Westhuyzen R, Winks S, Wilson CR, Boyle GA, Gessner RK, Soares de Melo C, Taylor D, de Kock C, Njoroge M, Brunschwig C, Lawrence N, Rao SP, Sirgel F, van Helden P, Seldon R, Moosa A, Warner DF, Arista L, Manjunatha UH, Smith PW, Street LJ, Chibale K.: Pyrrolo[3,4-c]pyridine-1,3(2H)-diones: A Novel Antimycobacterial Class Targeting Mycobacterial Respiration. J Med Chem, Volume 58 (23), 2015";ChEMBL
MM473292;MM473292;CN1CCN(C(=O)c2cc(N3CCc4c(-c5cnc(N)nc5)nc(N5CCOCC5)nc43)ccn2)CC1;QYTYBJUOTNVWBP-UHFFFAOYSA-N;502.58;0.83;59244337;;;CHEMBL3736509;GENER;EPAM;25;0;"<a href=https://www.ebi.ac.uk/chembl/assay_report_card/CHEMBL3736948/  target=_blank>CHEMBL3736948</a>";;;;;;;;;-5.95;;;;;;;;;;;;"Kawada H, Ebiike H, Tsukazaki M, Yamamoto S, Koyama K, Nakamura M, Morikami K, Yoshinari K, Yoshida M, Ogawa K, Shinma N, Tsukuda T, Ohwada J.: Modification of a dihydropyrrolopyrimidine phosphoinositide 3-kinase (PI3K) inhibitor to improve oral bioavailability. Bioorg Med Chem, Volume 23 (24), 2015";ChEMBL
MM474219;MM474219;NCCCCC(NC(=O)C(CCCN=C(N)N)NC(=O)c1ccc(-c2cccs2)s1)C(=O)NC(C(N)=O)c1ccc(OCc2ccc(Cl)c(Cl)c2)cc1;GTTMZCPBPGZUQU-NCZODNFJSA-N;801.82;4.68;127040514;;;CHEMBL3739504;GENER;EPAM;25;0;"<a href=https://www.ebi.ac.uk/chembl/assay_report_card/CHEMBL3745074/  target=_blank>CHEMBL3745074</a>";;;;;;;;;-6.1;;;;;;;;;;;;"Behnam MA, Graf D, Bartenschlager R, Zlotos DP, Klein CD.: Discovery of Nanomolar Dengue and West Nile Virus Protease Inhibitors Containing a 4-Benzyloxyphenylglycine Residue. J Med Chem, Volume 58 (23), 2015";ChEMBL
MM474217;MM474217;CC(C)(C)c1ccc(COc2ccc(C(NC(=O)C(CCCCN)NC(=O)C(CCCN=C(N)N)NC(=O)c3ccc(Cl)s3)C(N)=O)cc2)cc1;GOVQQDUPSMZDLM-FEVNIDIWSA-N;741.36;3.6;127038866;;;CHEMBL3740519;GENER;EPAM;25;0;"<a href=https://www.ebi.ac.uk/chembl/assay_report_card/CHEMBL3745074/  target=_blank>CHEMBL3745074</a>";;;;;;;;;-6.48;;;;;;;;;;;;"Behnam MA, Graf D, Bartenschlager R, Zlotos DP, Klein CD.: Discovery of Nanomolar Dengue and West Nile Virus Protease Inhibitors Containing a 4-Benzyloxyphenylglycine Residue. J Med Chem, Volume 58 (23), 2015";ChEMBL
MM474218;MM474218;COc1cccc(COc2ccc(C(NC(=O)C(CCCCN)NC(=O)C(CCCN=C(N)N)NC(=O)c3ccc(-c4cccs4)s3)C(N)=O)cc2)c1;CRRMQORWVFJFIV-ALKXEMMNSA-N;762.96;3.38;127040513;;;CHEMBL3741713;GENER;EPAM;25;0;"<a href=https://www.ebi.ac.uk/chembl/assay_report_card/CHEMBL3745074/  target=_blank>CHEMBL3745074</a>";;;;;;;;;-6.19;;;;;;;;;;;;"Behnam MA, Graf D, Bartenschlager R, Zlotos DP, Klein CD.: Discovery of Nanomolar Dengue and West Nile Virus Protease Inhibitors Containing a 4-Benzyloxyphenylglycine Residue. J Med Chem, Volume 58 (23), 2015";ChEMBL
MM472755;MM472755;Cc1ccc(S(=O)(=O)N(C)C2(C(=O)NC3C4CC5CC3CC(C(N)=O)(C5)C4)CC2)cc1F;DBDHNPSFILBIEX-IDNYSXLCSA-N;463.58;2.08;127039139;;;CHEMBL3741915;GENER;EPAM;25;0;"<a href=https://www.ebi.ac.uk/chembl/assay_report_card/CHEMBL3744154/  target=_blank>CHEMBL3744154</a>";;;;;;;;;-4.19;;;;;;;;;;;;"Kim, Young Hoon;  Seung Kyu Kang,  Gwi Bin Lee,  Kyu Myung Lee,  Jaladi Ashok Kumar,  Ki Young Kim,  Sang Dal Rhee,  Jeongmin Joo,  Myung Ae Bae,  Won Koo Lee,  Jin Hee Ahn:Synthesis and biological evaluation of α-sulfonamido-N-adamantanecarboxamide derivatives as 11β-HSD1 inhibitors. Med. Chem. Commun., 2015,6, 1360-1369, 10.1039/C5MD00096C";ChEMBL
MM471516;MM471516;Cc1cc2nc(NCCCO)n(CC(=O)c3cc(C(C)(C)C)c(O)c(C(C)(C)C)c3)c2cc1C;;465.64;5.63;2858523;;;CHEMBL374350;GENER;EPAM;25;0;"ph = 5, <a href=https://www.ebi.ac.uk/chembl/assay_report_card/CHEMBL1176519/  target=_blank>CHEMBL1176519</a>";;;;;;;;;-3.52;;;;;;;;;;;;"Peddibhotla S, Shi R, Khan P, Smith LH, Mangravita-Novo A, Vicchiarelli M, Su Y, Okolotowicz KJ, Cashman JR, Reed JC, Roth GP.: Inhibition of protein kinase C-driven nuclear factor-kappaB activation: synthesis, structure-activity relationship, and pharmacological profiling of pathway specific benzimidazole probe molecules. J Med Chem, Volume 53 (12), 2010";ChEMBL
MM471516;MM471516;Cc1cc2nc(NCCCO)n(CC(=O)c3cc(C(C)(C)C)c(O)c(C(C)(C)C)c3)c2cc1C;;465.64;5.63;2858523;;;CHEMBL374350;GENER;EPAM;25;0;"ph = 6.2, <a href=https://www.ebi.ac.uk/chembl/assay_report_card/CHEMBL1176520/  target=_blank>CHEMBL1176520</a>";;;;;;;;;-3.15;;;;;;;;;;;;"Peddibhotla S, Shi R, Khan P, Smith LH, Mangravita-Novo A, Vicchiarelli M, Su Y, Okolotowicz KJ, Cashman JR, Reed JC, Roth GP.: Inhibition of protein kinase C-driven nuclear factor-kappaB activation: synthesis, structure-activity relationship, and pharmacological profiling of pathway specific benzimidazole probe molecules. J Med Chem, Volume 53 (12), 2010";ChEMBL
MM471516;MM471516;Cc1cc2nc(NCCCO)n(CC(=O)c3cc(C(C)(C)C)c(O)c(C(C)(C)C)c3)c2cc1C;;465.64;5.63;2858523;;;CHEMBL374350;GENER;EPAM;25;0;"ph = 7.4, <a href=https://www.ebi.ac.uk/chembl/assay_report_card/CHEMBL1176518/  target=_blank>CHEMBL1176518</a>";;;;;;;;;-3.36;;;;;;;;;;;;"Peddibhotla S, Shi R, Khan P, Smith LH, Mangravita-Novo A, Vicchiarelli M, Su Y, Okolotowicz KJ, Cashman JR, Reed JC, Roth GP.: Inhibition of protein kinase C-driven nuclear factor-kappaB activation: synthesis, structure-activity relationship, and pharmacological profiling of pathway specific benzimidazole probe molecules. J Med Chem, Volume 53 (12), 2010";ChEMBL
MM472473;MM472473;COc1cnc(-c2cc(C(=O)O)[nH]n2)c2[nH]cc(C(=O)C(=O)N3CCc4c(cccc4-c4ccccn4)C3)c12;VSABUOSQKAMULL-UHFFFAOYSA-N;522.52;3.49;44555661;;;CHEMBL3745982;GENER;EPAM;25;0;"ph = 5.5, <a href=https://www.ebi.ac.uk/chembl/assay_report_card/CHEMBL3749029/  target=_blank>CHEMBL3749029</a>";;;;;;;;;-5.49;;;;;;;;;;;;"Swidorski JJ, Liu Z, Yin Z, Wang T, Carini DJ, Rahematpura S, Zheng M, Johnson K, Zhang S, Lin PF, Parker DD, Li W, Meanwell NA, Hamann LG, Regueiro-Ren A.: Inhibitors of HIV-1 attachment: The discovery and structure-activity relationships of tetrahydroisoquinolines as replacements for the piperazine benzamide in the 3-glyoxylyl 6-azaindole pharmacophore. Bioorg Med Chem Lett, Volume 26 (1), 2016";ChEMBL
MM472079;MM472079;COc1cnc(-n2cnc(C)n2)c2[nH]cc(C(=O)C(=O)N3CCc4c(ncnc4-c4ccccn4)C3)c12;;495.5;2.08;44555664;;;CHEMBL3746511;GENER;EPAM;25;0;"ph = 7.4, <a href=https://www.ebi.ac.uk/chembl/assay_report_card/CHEMBL3749028/  target=_blank>CHEMBL3749028</a>";;;;;;;;;-4.53;;;;;;;;;;;;"Swidorski JJ, Liu Z, Yin Z, Wang T, Carini DJ, Rahematpura S, Zheng M, Johnson K, Zhang S, Lin PF, Parker DD, Li W, Meanwell NA, Hamann LG, Regueiro-Ren A.: Inhibitors of HIV-1 attachment: The discovery and structure-activity relationships of tetrahydroisoquinolines as replacements for the piperazine benzamide in the 3-glyoxylyl 6-azaindole pharmacophore. Bioorg Med Chem Lett, Volume 26 (1), 2016";ChEMBL
MM472080;MM472080;CCN(C)S(=O)(=O)NC(=O)c1ccc2c(C3CCCCC3)c3n(c2c1)CC1(C(=O)N2C4CCC2CN(C)C4)CC1c1cc(OC)ccc1-3;SCOZLIDMZQPYPL-UHFFFAOYSA-N;673.88;5.08;25151003;;;CHEMBL3759378;GENER;EPAM;25;0;"ph = 7.4, <a href=https://www.ebi.ac.uk/chembl/assay_report_card/CHEMBL3762773/  target=_blank>CHEMBL3762773</a>";;;;;;;;;-4.25;;;;;;;;;;;;"Hewawasam P, Tu Y, Gao M, Hanumegowda U, Knipe J, Lemm JA, Parker DD, Rigat KL, Roberts SB, Meanwell NA, Kadow JF.: Discovery and preclinical evaluation of potent, orally bioavailable, metabolically stable cyclopropylindolobenzazepine acylsulfonamides as thumb site 1 inhibitors of the hepatitis c virus NS5B RNA-dependent, RNA polymerase. Bioorg Med Chem Lett, Volume 26 (3), 2016";ChEMBL
MM472081;MM472081;COc1ccc2c(c1)C1CC1(C(=O)N1C3CCC1CN(C)C3)Cn1c-2c(C2CCCCC2)c2ccc(C(=O)NS(=O)(=O)N3CCC3)cc21;MGIQLBCZSZRNNJ-UHFFFAOYSA-N;671.86;4.84;42641492;;;CHEMBL3759774;GENER;EPAM;25;0;"ph = 7.4, <a href=https://www.ebi.ac.uk/chembl/assay_report_card/CHEMBL3762773/  target=_blank>CHEMBL3762773</a>";;;;;;;;;-4.18;;;;;;;;;;;;"Hewawasam P, Tu Y, Gao M, Hanumegowda U, Knipe J, Lemm JA, Parker DD, Rigat KL, Roberts SB, Meanwell NA, Kadow JF.: Discovery and preclinical evaluation of potent, orally bioavailable, metabolically stable cyclopropylindolobenzazepine acylsulfonamides as thumb site 1 inhibitors of the hepatitis c virus NS5B RNA-dependent, RNA polymerase. Bioorg Med Chem Lett, Volume 26 (3), 2016";ChEMBL
MM474221;MM474221;COCCOc1cc2c(-n3nc(-c4ccccn4)nc3N)ncnc2cc1OC;ZXNSGRMQSJUSGX-UHFFFAOYSA-N;393.41;1.89;127039548;;;CHEMBL3763358;GENER;EPAM;25;0;"<a href=https://www.ebi.ac.uk/chembl/assay_report_card/CHEMBL3768362/  target=_blank>CHEMBL3768362</a>";;;;;;;;;-3.71;;;;;;;;;;;;"Min J, Guo K, Suryadevara PK, Zhu F, Holbrook G, Chen Y, Feau C, Young BM, Lemoff A, Connelly MC, Kastan MB, Guy RK.: Optimization of a Novel Series of Ataxia-Telangiectasia Mutated Kinase Inhibitors as Potential Radiosensitizing Agents. J Med Chem, Volume 59 (2), 2016";ChEMBL
MM474222;MM474222;COCCOc1cc2ncnc(-n3nc(-c4ccccn4)nc3N)c2cc1OCCOC;PBIMPTFJHKSFEY-UHFFFAOYSA-N;437.46;1.91;127038233;;;CHEMBL3764300;GENER;EPAM;25;0;"<a href=https://www.ebi.ac.uk/chembl/assay_report_card/CHEMBL3768362/  target=_blank>CHEMBL3768362</a>";;;;;;;;;-4.78;;;;;;;;;;;;"Min J, Guo K, Suryadevara PK, Zhu F, Holbrook G, Chen Y, Feau C, Young BM, Lemoff A, Connelly MC, Kastan MB, Guy RK.: Optimization of a Novel Series of Ataxia-Telangiectasia Mutated Kinase Inhibitors as Potential Radiosensitizing Agents. J Med Chem, Volume 59 (2), 2016";ChEMBL
MM474220;MM474220;COc1cc2ncnc(-n3nc(-c4ccccn4)nc3N)c2cc1OCCCNC(=O)OC(C)C;IJHWUYUPCVHLDZ-UHFFFAOYSA-N;478.51;2.77;127025923;;;CHEMBL3764768;GENER;EPAM;25;0;"<a href=https://www.ebi.ac.uk/chembl/assay_report_card/CHEMBL3768362/  target=_blank>CHEMBL3768362</a>";;;;;;;;;-3.36;;;;;;;;;;;;"Min J, Guo K, Suryadevara PK, Zhu F, Holbrook G, Chen Y, Feau C, Young BM, Lemoff A, Connelly MC, Kastan MB, Guy RK.: Optimization of a Novel Series of Ataxia-Telangiectasia Mutated Kinase Inhibitors as Potential Radiosensitizing Agents. J Med Chem, Volume 59 (2), 2016";ChEMBL
MM474536;MM474536;Cc1cc(CC(NC(=O)N2CCN(c3cccc(Cl)c3)CC2)C(=O)N2CCC(N3CCCCC3)CC2)cc2cn[nH]c12;LZMJKALQYLMCAR-GDLZYMKVSA-N;592.19;4.44;127027479;;;CHEMBL3769428;GENER;EPAM;25;0;"<a href=https://www.ebi.ac.uk/chembl/assay_report_card/CHEMBL3773901/  target=_blank>CHEMBL3773901</a>";;;;;;;;;-5.28;;;;;;;;;;;;"Civiello RL, Han X, Beno BR, Chaturvedula PV, Herbst JJ, Xu C, Conway CM, Macor JE, Dubowchik GM.: Synthesis and SAR of calcitonin gene-related peptide (CGRP) antagonists containing substituted aryl-piperazines and piperidines. Bioorg Med Chem Lett, Volume 26 (4), 2016";ChEMBL
MM474540;MM474540;Cc1cc(CC(NC(=O)N2CCC(c3ccc(Cl)cc3Cl)CC2)C(=O)N2CCC(N3CCCCC3)CC2)cc2cn[nH]c12;VBQBLAJKPJTHLI-SSEXGKCCSA-N;625.65;6.16;127028771;;;CHEMBL3769439;GENER;EPAM;25;0;"<a href=https://www.ebi.ac.uk/chembl/assay_report_card/CHEMBL3773901/  target=_blank>CHEMBL3773901</a>";;;;;;;;;-5.62;;;;;;;;;;;;"Civiello RL, Han X, Beno BR, Chaturvedula PV, Herbst JJ, Xu C, Conway CM, Macor JE, Dubowchik GM.: Synthesis and SAR of calcitonin gene-related peptide (CGRP) antagonists containing substituted aryl-piperazines and piperidines. Bioorg Med Chem Lett, Volume 26 (4), 2016";ChEMBL
MM474535;MM474535;CCn1cc(-c2cccc(C(F)(F)F)c2)c2sc(C(=N)NC3CCS(=O)(=O)CC3)cc2c1=O;WRUWGLUCNBMGPS-UHFFFAOYSA-N;497.56;4.26;;;;;GENER;EPAM;25;0;"<a href=https://www.ebi.ac.uk/chembl/assay_report_card/CHEMBL3773672/  target=_blank>CHEMBL3773672</a>";;;;;;;;;-4.68;;;;;;;;;;;;"Theodoulou NH, Bamborough P, Bannister AJ, Becher I, Bit RA, Che KH, Chung CW, Dittmann A, Drewes G, Drewry DH, Gordon L, Grandi P, Leveridge M, Lindon M, Michon AM, Molnar J, Robson SC, Tomkinson NC, Kouzarides T, Prinjha RK, Humphreys PG.: Discovery of I-BRD9, a Selective Cell Active Chemical Probe for Bromodomain Containing Protein 9 Inhibition. J Med Chem, Volume 59 (4), 2016";ChEMBL
MM473302;MM473302;CCN1CCN(C(c2ccccc2)c2ccc(Cl)cc2)CC1;DNCBAXHUOSCWMJ-IBGZPJMESA-N;314.86;4.07;118119445;;;CHEMBL3769592;GENER;EPAM;25;0;"<a href=https://www.ebi.ac.uk/chembl/assay_report_card/CHEMBL3774145/  target=_blank>CHEMBL3774145</a>";;;;;;;;;-3.29;;;;;;;;;;;;"He S, Xiao J, Dulcey AE, Lin B, Rolt A, Hu Z, Hu X, Wang AQ, Xu X, Southall N, Ferrer M, Zheng W, Liang TJ, Marugan JJ.: Discovery, Optimization, and Characterization of Novel Chlorcyclizine Derivatives for the Treatment of Hepatitis C Virus Infection. J Med Chem, Volume 59 (3), 2016";ChEMBL
MM474538;MM474538;Cc1cc(CC(NC(=O)N2CCN(c3ccc(Br)cc3)CC2)C(=O)N2CCC(N3CCCCC3)CC2)cc2cn[nH]c12;ZTULCETYIBZDAH-GDLZYMKVSA-N;636.64;4.55;127027803;;;CHEMBL3769654;GENER;EPAM;25;0;"<a href=https://www.ebi.ac.uk/chembl/assay_report_card/CHEMBL3773901/  target=_blank>CHEMBL3773901</a>";;;;;;;;;-5.28;;;;;;;;;;;;"Civiello RL, Han X, Beno BR, Chaturvedula PV, Herbst JJ, Xu C, Conway CM, Macor JE, Dubowchik GM.: Synthesis and SAR of calcitonin gene-related peptide (CGRP) antagonists containing substituted aryl-piperazines and piperidines. Bioorg Med Chem Lett, Volume 26 (4), 2016";ChEMBL
MM474263;MM474263;Cc1cc(OCCCc2c3n(c4c(-c5c(C)nn(C)c5C)c(Cl)ccc24)CCCN(c2cccc(C(=O)O)c2)C3=O)cc(C)c1Cl;YYPNZNHOMXJSFW-UHFFFAOYSA-N;659.61;8.34;118394580;;;CHEMBL3769721;GENER;EPAM;25;0;"<a href=https://www.ebi.ac.uk/chembl/assay_report_card/CHEMBL4023197/  target=_blank>CHEMBL4023197</a>";;;;;;;;;-3.51;;;;;;;;;;;;"Shaw S, Bian Z, Zhao B, Tarr JC, Veerasamy N, Jeon KO, Belmar J, Arnold AL, Fogarty SA, Perry E, Sensintaffar JL, Camper DV, Rossanese OW, Lee T, Olejniczak ET, Fesik SW.: Optimization of Potent and Selective Tricyclic Indole Diazepinone Myeloid Cell Leukemia-1 Inhibitors Using Structure-Based Design. J Med Chem, Volume 61 (6), 2018";ChEMBL
MM474542;MM474542;Cc1cc(CC(NC(=O)N2CCC(c3ccc(C(F)(F)F)cc3C(F)(F)F)CC2)C(=O)N2CCC(N3CCCCC3)CC2)cc2cn[nH]c12;HJRDKTXYUSZIPU-SSEXGKCCSA-N;692.75;6.89;127028774;;;CHEMBL3769892;GENER;EPAM;25;0;"<a href=https://www.ebi.ac.uk/chembl/assay_report_card/CHEMBL3773901/  target=_blank>CHEMBL3773901</a>";;;;;;;;;-5.15;;;;;;;;;;;;"Civiello RL, Han X, Beno BR, Chaturvedula PV, Herbst JJ, Xu C, Conway CM, Macor JE, Dubowchik GM.: Synthesis and SAR of calcitonin gene-related peptide (CGRP) antagonists containing substituted aryl-piperazines and piperidines. Bioorg Med Chem Lett, Volume 26 (4), 2016";ChEMBL
MM474543;MM474543;Cc1cc(CC(NC(=O)N2CCC(c3ccc4ccccc4c3)CC2)C(=O)N2CCC(N3CCCCC3)CC2)cc2cn[nH]c12;PGUPJMQJNPDQPV-UUWRZZSWSA-N;606.82;6;127028128;;;CHEMBL3770364;GENER;EPAM;25;0;"<a href=https://www.ebi.ac.uk/chembl/assay_report_card/CHEMBL3773901/  target=_blank>CHEMBL3773901</a>";;;;;;;;;-5.21;;;;;;;;;;;;"Civiello RL, Han X, Beno BR, Chaturvedula PV, Herbst JJ, Xu C, Conway CM, Macor JE, Dubowchik GM.: Synthesis and SAR of calcitonin gene-related peptide (CGRP) antagonists containing substituted aryl-piperazines and piperidines. Bioorg Med Chem Lett, Volume 26 (4), 2016";ChEMBL
MM474541;MM474541;Cc1ccc(C2CCN(C(=O)NC(Cc3cc(C)c4[nH]ncc4c3)C(=O)N3CCC(N4CCCCC4)CC3)CC2)c(Cl)c1;UQLOLQPXCFNBCX-WJOKGBTCSA-N;605.23;5.81;127028773;;;CHEMBL3770407;GENER;EPAM;25;0;"<a href=https://www.ebi.ac.uk/chembl/assay_report_card/CHEMBL3773901/  target=_blank>CHEMBL3773901</a>";;;;;;;;;-4.92;;;;;;;;;;;;"Civiello RL, Han X, Beno BR, Chaturvedula PV, Herbst JJ, Xu C, Conway CM, Macor JE, Dubowchik GM.: Synthesis and SAR of calcitonin gene-related peptide (CGRP) antagonists containing substituted aryl-piperazines and piperidines. Bioorg Med Chem Lett, Volume 26 (4), 2016";ChEMBL
MM473303;MM473303;NCCOCCOCCOCCOCCN1CCN(C(c2ccccc2)c2ccc(Cl)cc2)CC1;UDJCGMDVNWTYJW-UHFFFAOYSA-N;506.09;3.07;118109114;;;CHEMBL3770586;GENER;EPAM;25;0;"<a href=https://www.ebi.ac.uk/chembl/assay_report_card/CHEMBL3774145/  target=_blank>CHEMBL3774145</a>";;;;;;;;;-3.17;;;;;;;;;;;;"He S, Xiao J, Dulcey AE, Lin B, Rolt A, Hu Z, Hu X, Wang AQ, Xu X, Southall N, Ferrer M, Zheng W, Liang TJ, Marugan JJ.: Discovery, Optimization, and Characterization of Novel Chlorcyclizine Derivatives for the Treatment of Hepatitis C Virus Infection. J Med Chem, Volume 59 (3), 2016";ChEMBL
MM473305;MM473305;CCN1CCN(C(c2ccc(Cl)cc2)c2ccc(Cl)cc2)CC1;DVVTUWFUPPBVLS-UHFFFAOYSA-N;349.31;4.72;91799670;;;CHEMBL3770919;GENER;EPAM;25;0;"<a href=https://www.ebi.ac.uk/chembl/assay_report_card/CHEMBL3774145/  target=_blank>CHEMBL3774145</a>";;;;;;;;;-3.05;;;;;;;;;;;;"He S, Xiao J, Dulcey AE, Lin B, Rolt A, Hu Z, Hu X, Wang AQ, Xu X, Southall N, Ferrer M, Zheng W, Liang TJ, Marugan JJ.: Discovery, Optimization, and Characterization of Novel Chlorcyclizine Derivatives for the Treatment of Hepatitis C Virus Infection. J Med Chem, Volume 59 (3), 2016";ChEMBL
MM474539;MM474539;Cc1cc(CC(NC(=O)N2CCN(c3ccc(Cl)cc3Cl)CC2)C(=O)N2CCC(N3CCCCC3)CC2)cc2cn[nH]c12;CTFYMOIQAUCHSA-MUUNZHRXSA-N;626.63;5.1;127027815;;;CHEMBL3770964;GENER;EPAM;25;0;"<a href=https://www.ebi.ac.uk/chembl/assay_report_card/CHEMBL3773901/  target=_blank>CHEMBL3773901</a>";;;;;;;;;-4.77;;;;;;;;;;;;"Civiello RL, Han X, Beno BR, Chaturvedula PV, Herbst JJ, Xu C, Conway CM, Macor JE, Dubowchik GM.: Synthesis and SAR of calcitonin gene-related peptide (CGRP) antagonists containing substituted aryl-piperazines and piperidines. Bioorg Med Chem Lett, Volume 26 (4), 2016";ChEMBL
MM474537;MM474537;Cc1cc(CC(NC(=O)N2CCN(c3ccccc3Br)CC2)C(=O)N2CCC(N3CCCCC3)CC2)cc2cn[nH]c12;RCJOARWJFBIRKK-MUUNZHRXSA-N;636.64;4.55;127027481;;;CHEMBL3771271;GENER;EPAM;25;0;"<a href=https://www.ebi.ac.uk/chembl/assay_report_card/CHEMBL3773901/  target=_blank>CHEMBL3773901</a>";;;;;;;;;-5.46;;;;;;;;;;;;"Civiello RL, Han X, Beno BR, Chaturvedula PV, Herbst JJ, Xu C, Conway CM, Macor JE, Dubowchik GM.: Synthesis and SAR of calcitonin gene-related peptide (CGRP) antagonists containing substituted aryl-piperazines and piperidines. Bioorg Med Chem Lett, Volume 26 (4), 2016";ChEMBL
MM474544;MM474544;Cc1cc(CC(NC(=O)N2CCC(c3cc4ccccc4cc3Cl)CC2)C(=O)N2CCC(N3CCCCC3)CC2)cc2cn[nH]c12;XIIDPSKSRFKLGE-UUWRZZSWSA-N;641.26;6.66;127028129;;;CHEMBL3771314;GENER;EPAM;25;0;"<a href=https://www.ebi.ac.uk/chembl/assay_report_card/CHEMBL3773901/  target=_blank>CHEMBL3773901</a>";;;;;;;;;-5.24;;;;;;;;;;;;"Civiello RL, Han X, Beno BR, Chaturvedula PV, Herbst JJ, Xu C, Conway CM, Macor JE, Dubowchik GM.: Synthesis and SAR of calcitonin gene-related peptide (CGRP) antagonists containing substituted aryl-piperazines and piperidines. Bioorg Med Chem Lett, Volume 26 (4), 2016";ChEMBL
MM473304;MM473304;CN1CCN(C(c2ccc(Cl)cc2)c2ccc(Cl)cc2)CC1;UVQVBDRHJUMBET-UHFFFAOYSA-N;335.28;4.33;3065515;;;CHEMBL3771316;GENER;EPAM;25;0;"<a href=https://www.ebi.ac.uk/chembl/assay_report_card/CHEMBL3774145/  target=_blank>CHEMBL3774145</a>";;;;;;;;;-2.99;;;;;;;;;;;;"He S, Xiao J, Dulcey AE, Lin B, Rolt A, Hu Z, Hu X, Wang AQ, Xu X, Southall N, Ferrer M, Zheng W, Liang TJ, Marugan JJ.: Discovery, Optimization, and Characterization of Novel Chlorcyclizine Derivatives for the Treatment of Hepatitis C Virus Infection. J Med Chem, Volume 59 (3), 2016";ChEMBL
MM472756;MM472756;CC1CN(CC2CCN(Cc3ccccc3)CC2)C(=O)N(c2cccc(C(=N)N)c2)C1;HGBLIBDRBSWLRN-UHFFFAOYSA-N;419.57;3.76;;;;;GENER;EPAM;25;0;"<a href=https://www.ebi.ac.uk/chembl/assay_report_card/CHEMBL3783744/  target=_blank>CHEMBL3783744</a>";;;;;;;;;-7.6;;;;;;;;;;;;"Venukadasula PK, Owusu BY, Bansal N, Ross LJ, Hobrath JV, Bao D, Truss JW, Stackhouse M, Messick TE, Klampfer L, Galemmo RA.: Design and Synthesis of Nonpeptide Inhibitors of Hepatocyte Growth Factor Activation. ACS Med Chem Lett, Volume 7 (2), 2016";ChEMBL
MM473307;MM473307;Cc1c(F)cccc1C1COC(N)=N1;IOHOUWIYOVWGHV-SECBINFHSA-N;194.21;1.52;56835991;;;CHEMBL3781694;GENER;EPAM;25;0;"<a href=https://www.ebi.ac.uk/chembl/assay_report_card/CHEMBL3783769/  target=_blank>CHEMBL3783769</a>";;;;;;;;;-4.84;;;;;;;;;;;;"Galley G, Beurier A, Décoret G, Goergler A, Hutter R, Mohr S, Pähler A, Schmid P, Türck D, Unger R, Zbinden KG, Hoener MC, Norcross RD.: Discovery and Characterization of 2-Aminooxazolines as Highly Potent, Selective, and Orally Active TAAR1 Agonists. ACS Med Chem Lett, Volume 7 (2), 2016";ChEMBL
MM471996;MM471996;Cc1c(Cc2c(Cl)cccc2Cl)nc(N(C)Cc2ccc([N+](=O)[O-])cc2)[nH]c1=O;;433.3;4.52;;;;CHEMBL3786368;GENER;EPAM;25;+1,-1;"ph = 4, <a href=https://www.ebi.ac.uk/chembl/assay_report_card/CHEMBL3791522/  target=_blank>CHEMBL3791522</a>";;;;;;;;;-5.72;;;;;;;;;;;;"Tintori C, Brai A, Dasso Lang MC, Deodato D, Greco AM, Bizzarri BM, Cascone L, Casian A, Zamperini C, Dreassi E, Crespan E, Maga G, Vanham G, Ceresola E, Canducci F, Ariën KK, Botta M.: Development and in Vitro Evaluation of a Microbicide Gel Formulation for a Novel Non-Nucleoside Reverse Transcriptase Inhibitor Belonging to the N-Dihydroalkyloxybenzyloxopyrimidines (N-DABOs) Family. J Med Chem, Volume 59 (6), 2016";ChEMBL
MM471996;MM471996;Cc1c(Cc2c(Cl)cccc2Cl)nc(N(C)Cc2ccc([N+](=O)[O-])cc2)[nH]c1=O;;433.3;4.52;;;;CHEMBL3786368;GENER;EPAM;25;+1,-1;"ph = 7.4, <a href=https://www.ebi.ac.uk/chembl/assay_report_card/CHEMBL3791521/  target=_blank>CHEMBL3791521</a>";;;;;;;;;-4.96;;;;;;;;;;;;"Tintori C, Brai A, Dasso Lang MC, Deodato D, Greco AM, Bizzarri BM, Cascone L, Casian A, Zamperini C, Dreassi E, Crespan E, Maga G, Vanham G, Ceresola E, Canducci F, Ariën KK, Botta M.: Development and in Vitro Evaluation of a Microbicide Gel Formulation for a Novel Non-Nucleoside Reverse Transcriptase Inhibitor Belonging to the N-Dihydroalkyloxybenzyloxopyrimidines (N-DABOs) Family. J Med Chem, Volume 59 (6), 2016";ChEMBL
MM471993;MM471993;Cc1c(Cc2c(Cl)cccc2Cl)nc(N(C)Cc2ccc(N3CCOCC3)cc2)[nH]c1=O;UBCUBPKNCZZRLM-UHFFFAOYSA-N;473.4;4.45;137175227;;;CHEMBL3787239;GENER;EPAM;25;0;"ph = 7.4, <a href=https://www.ebi.ac.uk/chembl/assay_report_card/CHEMBL3791521/  target=_blank>CHEMBL3791521</a>";;;;;;;;;-4.66;;;;;;;;;;;;"Tintori C, Brai A, Dasso Lang MC, Deodato D, Greco AM, Bizzarri BM, Cascone L, Casian A, Zamperini C, Dreassi E, Crespan E, Maga G, Vanham G, Ceresola E, Canducci F, Ariën KK, Botta M.: Development and in Vitro Evaluation of a Microbicide Gel Formulation for a Novel Non-Nucleoside Reverse Transcriptase Inhibitor Belonging to the N-Dihydroalkyloxybenzyloxopyrimidines (N-DABOs) Family. J Med Chem, Volume 59 (6), 2016";ChEMBL
MM471995;MM471995;Cc1c(C(C)c2c(Cl)cccc2Cl)nc(N(C)Cc2ccc(N3CCN(C)CC3)cc2)[nH]c1=O;HPEPSXQDXQIPLK-UHFFFAOYSA-N;500.47;4.93;137175143;;;CHEMBL3787451;GENER;EPAM;25;0;"ph = 7.4, <a href=https://www.ebi.ac.uk/chembl/assay_report_card/CHEMBL3791521/  target=_blank>CHEMBL3791521</a>";;;;;;;;;-6.04;;;;;;;;;;;;"Tintori C, Brai A, Dasso Lang MC, Deodato D, Greco AM, Bizzarri BM, Cascone L, Casian A, Zamperini C, Dreassi E, Crespan E, Maga G, Vanham G, Ceresola E, Canducci F, Ariën KK, Botta M.: Development and in Vitro Evaluation of a Microbicide Gel Formulation for a Novel Non-Nucleoside Reverse Transcriptase Inhibitor Belonging to the N-Dihydroalkyloxybenzyloxopyrimidines (N-DABOs) Family. J Med Chem, Volume 59 (6), 2016";ChEMBL
MM471997;MM471997;COc1ccc(CN(C)c2nc(C(C)c3c(F)cccc3F)c(C)c(=O)[nH]2)cc1;;399.44;4.15;137175147;;;CHEMBL3787597;GENER;EPAM;25;0;"ph = 4, <a href=https://www.ebi.ac.uk/chembl/assay_report_card/CHEMBL3791522/  target=_blank>CHEMBL3791522</a>";;;;;;;;;-5.42;;;;;;;;;;;;"Tintori C, Brai A, Dasso Lang MC, Deodato D, Greco AM, Bizzarri BM, Cascone L, Casian A, Zamperini C, Dreassi E, Crespan E, Maga G, Vanham G, Ceresola E, Canducci F, Ariën KK, Botta M.: Development and in Vitro Evaluation of a Microbicide Gel Formulation for a Novel Non-Nucleoside Reverse Transcriptase Inhibitor Belonging to the N-Dihydroalkyloxybenzyloxopyrimidines (N-DABOs) Family. J Med Chem, Volume 59 (6), 2016";ChEMBL
MM471997;MM471997;COc1ccc(CN(C)c2nc(C(C)c3c(F)cccc3F)c(C)c(=O)[nH]2)cc1;;399.44;4.15;137175147;;;CHEMBL3787597;GENER;EPAM;25;0;"ph = 7.4, <a href=https://www.ebi.ac.uk/chembl/assay_report_card/CHEMBL3791521/  target=_blank>CHEMBL3791521</a>";;;;;;;;;-5.26;;;;;;;;;;;;"Tintori C, Brai A, Dasso Lang MC, Deodato D, Greco AM, Bizzarri BM, Cascone L, Casian A, Zamperini C, Dreassi E, Crespan E, Maga G, Vanham G, Ceresola E, Canducci F, Ariën KK, Botta M.: Development and in Vitro Evaluation of a Microbicide Gel Formulation for a Novel Non-Nucleoside Reverse Transcriptase Inhibitor Belonging to the N-Dihydroalkyloxybenzyloxopyrimidines (N-DABOs) Family. J Med Chem, Volume 59 (6), 2016";ChEMBL
MM471994;MM471994;Cc1c(Cc2c(Cl)cccc2Cl)nc(N(C)Cc2ccc(N3CCN(C)CC3)cc2)[nH]c1=O;;486.45;4.36;137175228;;;CHEMBL3787620;GENER;EPAM;25;0;"ph = 4, <a href=https://www.ebi.ac.uk/chembl/assay_report_card/CHEMBL3791522/  target=_blank>CHEMBL3791522</a>";;;;;;;;;-6.24;;;;;;;;;;;;"Tintori C, Brai A, Dasso Lang MC, Deodato D, Greco AM, Bizzarri BM, Cascone L, Casian A, Zamperini C, Dreassi E, Crespan E, Maga G, Vanham G, Ceresola E, Canducci F, Ariën KK, Botta M.: Development and in Vitro Evaluation of a Microbicide Gel Formulation for a Novel Non-Nucleoside Reverse Transcriptase Inhibitor Belonging to the N-Dihydroalkyloxybenzyloxopyrimidines (N-DABOs) Family. J Med Chem, Volume 59 (6), 2016";ChEMBL
MM471994;MM471994;Cc1c(Cc2c(Cl)cccc2Cl)nc(N(C)Cc2ccc(N3CCN(C)CC3)cc2)[nH]c1=O;;486.45;4.36;137175228;;;CHEMBL3787620;GENER;EPAM;25;0;"ph = 7.4, <a href=https://www.ebi.ac.uk/chembl/assay_report_card/CHEMBL3791521/  target=_blank>CHEMBL3791521</a>";;;;;;;;;-5.86;;;;;;;;;;;;"Tintori C, Brai A, Dasso Lang MC, Deodato D, Greco AM, Bizzarri BM, Cascone L, Casian A, Zamperini C, Dreassi E, Crespan E, Maga G, Vanham G, Ceresola E, Canducci F, Ariën KK, Botta M.: Development and in Vitro Evaluation of a Microbicide Gel Formulation for a Novel Non-Nucleoside Reverse Transcriptase Inhibitor Belonging to the N-Dihydroalkyloxybenzyloxopyrimidines (N-DABOs) Family. J Med Chem, Volume 59 (6), 2016";ChEMBL
MM471687;MM471687;O=C(O)c1c(O)c(F)c(F)c(F)c1F;;210.08;1.65;11020133;;;CHEMBL3793496;GENER;EPAM;25;0;"ph = 5, <a href=https://www.ebi.ac.uk/chembl/assay_report_card/CHEMBL3873505/  target=_blank>CHEMBL3873505</a>";;;;;;;;;-4.73;;;;;;;;;;;;"Shchegol'kov EV, Shchur IV, Burgart YV, Saloutin VI, Trefilova AN, Ljushina GA, Solodnikov SY, Markova LN, Maslova VV, Krasnykh OP, Borisevich SS, Khursan SL.: Polyfluorinated salicylic acid derivatives as analogs of known drugs: Synthesis, molecular docking and biological evaluation. Bioorg Med Chem, Volume 25 (1), 2017";ChEMBL
MM471687;MM471687;O=C(O)c1c(O)c(F)c(F)c(F)c1F;;210.08;1.65;11020133;;;CHEMBL3793496;GENER;EPAM;25;0;"ph = 6.2, <a href=https://www.ebi.ac.uk/chembl/assay_report_card/CHEMBL3873506/  target=_blank>CHEMBL3873506</a>";;;;;;;;;-6.3;;;;;;;;;;;;"Shchegol'kov EV, Shchur IV, Burgart YV, Saloutin VI, Trefilova AN, Ljushina GA, Solodnikov SY, Markova LN, Maslova VV, Krasnykh OP, Borisevich SS, Khursan SL.: Polyfluorinated salicylic acid derivatives as analogs of known drugs: Synthesis, molecular docking and biological evaluation. Bioorg Med Chem, Volume 25 (1), 2017";ChEMBL
MM471687;MM471687;O=C(O)c1c(O)c(F)c(F)c(F)c1F;;210.08;1.65;11020133;;;CHEMBL3793496;GENER;EPAM;25;0;"ph = 7.4, <a href=https://www.ebi.ac.uk/chembl/assay_report_card/CHEMBL3873507/  target=_blank>CHEMBL3873507</a>";;;;;;;;;-7;;;;;;;;;;;;"Shchegol'kov EV, Shchur IV, Burgart YV, Saloutin VI, Trefilova AN, Ljushina GA, Solodnikov SY, Markova LN, Maslova VV, Krasnykh OP, Borisevich SS, Khursan SL.: Polyfluorinated salicylic acid derivatives as analogs of known drugs: Synthesis, molecular docking and biological evaluation. Bioorg Med Chem, Volume 25 (1), 2017";ChEMBL
MM472082;MM472082;O=C(O)C1CN(Cc2ccc(-c3noc(-c4onc(-c5ccccc5)c4C(F)(F)F)n3)cc2)C1;RRPYZEWVBYBTJC-UHFFFAOYSA-N;470.41;4.59;46835922;;;CHEMBL3794064;GENER;EPAM;25;0;"ph = 7.4, <a href=https://www.ebi.ac.uk/chembl/assay_report_card/CHEMBL3803548/  target=_blank>CHEMBL3803548</a>";;;;;;;;;-3.99;;;;;;;;;;;;"Watterson SH, Guo J, Spergel SH, Langevine CM, Moquin RV, Shen DR, Yarde M, Cvijic ME, Banas D, Liu R, Suchard SJ, Gillooly K, Taylor T, Rex-Rabe S, Shuster DJ, McIntyre KW, Cornelius G, D'Arienzo C, Marino A, Balimane P, Warrack B, Salter-Cid L, McKinnon M, Barrish JC, Carter PH, Pitts WJ, Xie J, Dyckman AJ.: Potent and Selective Agonists of Sphingosine 1-Phosphate 1 (S1P1): Discovery and SAR of a Novel Isoxazole Based Series. J Med Chem, Volume 59 (6), 2016";ChEMBL
MM472001;MM472001;CC(=O)NOCCc1ccccc1;RAQUZYWMEJZUFJ-UHFFFAOYSA-N;179.22;1.3;13352732;;;CHEMBL3797269;GENER;EPAM;25;0;"ph = 7.4, <a href=https://www.ebi.ac.uk/chembl/assay_report_card/CHEMBL3801192/  target=_blank>CHEMBL3801192</a>";;;;;;;;;-5.34;;;;;;;;;;;;"Lassalas P, Gay B, Lasfargeas C, James MJ, Tran V, Vijayendran KG, Brunden KR, Kozlowski MC, Thomas CJ, Smith AB, Huryn DM, Ballatore C.: Structure Property Relationships of Carboxylic Acid Isosteres. J Med Chem, Volume 59 (7), 2016";ChEMBL
MM471404;MM471404;CS(=O)(=O)NC(=O)NCc1ccccc1;;228.27;0.45;67748714;;;CHEMBL3797397;GENER;EPAM;25;0;"ph = 7.4, <a href=https://www.ebi.ac.uk/chembl/assay_report_card/CHEMBL3801192/  target=_blank>CHEMBL3801192</a>";;;;;;;;;-6.58;;;;;;;;;;;;"Lassalas P, Gay B, Lasfargeas C, James MJ, Tran V, Vijayendran KG, Brunden KR, Kozlowski MC, Thomas CJ, Smith AB, Huryn DM, Ballatore C.: Structure Property Relationships of Carboxylic Acid Isosteres. J Med Chem, Volume 59 (7), 2016";ChEMBL
MM471404;MM471404;CS(=O)(=O)NC(=O)NCc1ccccc1;;228.27;0.45;67748714;;;CHEMBL3797397;GENER;EPAM;25;0;"ph = 7.4, <a href=https://www.ebi.ac.uk/chembl/assay_report_card/CHEMBL3801194/  target=_blank>CHEMBL3801194</a>";;;;;;;;;-6.61;;;;;;;;;;;;"Lassalas P, Gay B, Lasfargeas C, James MJ, Tran V, Vijayendran KG, Brunden KR, Kozlowski MC, Thomas CJ, Smith AB, Huryn DM, Ballatore C.: Structure Property Relationships of Carboxylic Acid Isosteres. J Med Chem, Volume 59 (7), 2016";ChEMBL
MM471413;MM471413;O=c1cc(Cc2ccccc2)o[nH]1;SCVUKJARUFFBII-UHFFFAOYSA-N;175.19;1.97;13352927;;;CHEMBL3797502;GENER;EPAM;25;0;"ph = 7.4, <a href=https://www.ebi.ac.uk/chembl/assay_report_card/CHEMBL3801194/  target=_blank>CHEMBL3801194</a>";;;;;;;;;-5.33;;;;;;;;;;;;"Lassalas P, Gay B, Lasfargeas C, James MJ, Tran V, Vijayendran KG, Brunden KR, Kozlowski MC, Thomas CJ, Smith AB, Huryn DM, Ballatore C.: Structure Property Relationships of Carboxylic Acid Isosteres. J Med Chem, Volume 59 (7), 2016";ChEMBL
MM472000;MM472000;CONC(=O)CCc1ccccc1;HMXIQGDRQJPMQI-UHFFFAOYSA-N;179.22;1.3;13836226;;;CHEMBL3797641;GENER;EPAM;25;0;"ph = 7.4, <a href=https://www.ebi.ac.uk/chembl/assay_report_card/CHEMBL3801192/  target=_blank>CHEMBL3801192</a>";;;;;;;;;-5.14;;;;;;;;;;;;"Lassalas P, Gay B, Lasfargeas C, James MJ, Tran V, Vijayendran KG, Brunden KR, Kozlowski MC, Thomas CJ, Smith AB, Huryn DM, Ballatore C.: Structure Property Relationships of Carboxylic Acid Isosteres. J Med Chem, Volume 59 (7), 2016";ChEMBL
MM471416;MM471416;CC1=C(O)C(Cc2ccccc2)CC1=O;GWGQROXXNKCSLW-UHFFFAOYSA-N;202.25;2.65;127046601;;;CHEMBL3797648;GENER;EPAM;25;0;"ph = 7.4, <a href=https://www.ebi.ac.uk/chembl/assay_report_card/CHEMBL3801194/  target=_blank>CHEMBL3801194</a>";;;;;;;;;-6.58;;;;;;;;;;;;"Lassalas P, Gay B, Lasfargeas C, James MJ, Tran V, Vijayendran KG, Brunden KR, Kozlowski MC, Thomas CJ, Smith AB, Huryn DM, Ballatore C.: Structure Property Relationships of Carboxylic Acid Isosteres. J Med Chem, Volume 59 (7), 2016";ChEMBL
MM474545;MM474545;CC(C)CS(=O)(=O)n1ccc2c(-c3ccc(C(F)(F)F)cc3)cc(N3CCN(C)CC3)nc21;RYBRXOLQVVUVSC-UHFFFAOYSA-N;480.56;4.31;127046982;;;CHEMBL3797717;GENER;EPAM;25;0;"<a href=https://www.ebi.ac.uk/chembl/assay_report_card/CHEMBL3800745/  target=_blank>CHEMBL3800745</a>";;;;;;;;;-4.27;;;;;;;;;;;;"Fabritius CH, Pesonen U, Messinger J, Horvath R, Salo H, Gałęzowski M, Galek M, Stefańska K, Szeremeta-Spisak J, Olszak-Płachta M, Buda A, Adamczyk J, Król M, Prusis P, Sieprawska-Lupa M, Mikulski M, Kuokkanen K, Chapman H, Obuchowicz R, Korjamo T, Jalava N, Nowak M.: 1-Sulfonyl-6-Piperazinyl-7-Azaindoles as potent and pseudo-selective 5-HT6 receptor antagonists. Bioorg Med Chem Lett, Volume 26 (11), 2016";ChEMBL
MM471409;MM471409;O=c1[nH]c(CCc2ccccc2)no1;;190.2;1.15;136117028;;;CHEMBL3798285;GENER;EPAM;25;0;"ph = 7.4, <a href=https://www.ebi.ac.uk/chembl/assay_report_card/CHEMBL3801192/  target=_blank>CHEMBL3801192</a>";;;;;;;;;-5.91;;;;;;;;;;;;"Lassalas P, Gay B, Lasfargeas C, James MJ, Tran V, Vijayendran KG, Brunden KR, Kozlowski MC, Thomas CJ, Smith AB, Huryn DM, Ballatore C.: Structure Property Relationships of Carboxylic Acid Isosteres. J Med Chem, Volume 59 (7), 2016";ChEMBL
MM471409;MM471409;O=c1[nH]c(CCc2ccccc2)no1;;190.2;1.15;136117028;;;CHEMBL3798285;GENER;EPAM;25;0;"ph = 7.4, <a href=https://www.ebi.ac.uk/chembl/assay_report_card/CHEMBL3801194/  target=_blank>CHEMBL3801194</a>";;;;;;;;;-5.91;;;;;;;;;;;;"Lassalas P, Gay B, Lasfargeas C, James MJ, Tran V, Vijayendran KG, Brunden KR, Kozlowski MC, Thomas CJ, Smith AB, Huryn DM, Ballatore C.: Structure Property Relationships of Carboxylic Acid Isosteres. J Med Chem, Volume 59 (7), 2016";ChEMBL
MM471400;MM471400;NS(=O)(=O)CCc1ccccc1;;185.25;0.52;204808;;;CHEMBL3798695;GENER;EPAM;25;0;"ph = 7.4, <a href=https://www.ebi.ac.uk/chembl/assay_report_card/CHEMBL3801192/  target=_blank>CHEMBL3801192</a>";;;;;;;;;-5.67;;;;;;;;;;;;"Lassalas P, Gay B, Lasfargeas C, James MJ, Tran V, Vijayendran KG, Brunden KR, Kozlowski MC, Thomas CJ, Smith AB, Huryn DM, Ballatore C.: Structure Property Relationships of Carboxylic Acid Isosteres. J Med Chem, Volume 59 (7), 2016";ChEMBL
MM471400;MM471400;NS(=O)(=O)CCc1ccccc1;;185.25;0.52;204808;;;CHEMBL3798695;GENER;EPAM;25;0;"ph = 7.4, <a href=https://www.ebi.ac.uk/chembl/assay_report_card/CHEMBL3801194/  target=_blank>CHEMBL3801194</a>";;;;;;;;;-5.67;;;;;;;;;;;;"Lassalas P, Gay B, Lasfargeas C, James MJ, Tran V, Vijayendran KG, Brunden KR, Kozlowski MC, Thomas CJ, Smith AB, Huryn DM, Ballatore C.: Structure Property Relationships of Carboxylic Acid Isosteres. J Med Chem, Volume 59 (7), 2016";ChEMBL
MM471415;MM471415;O=C1C=C(O)C(Cc2ccccc2)C1;MUZSAHAQLBVTPM-UHFFFAOYSA-N;188.23;2.26;127048070;;;CHEMBL3798724;GENER;EPAM;25;0;"ph = 7.4, <a href=https://www.ebi.ac.uk/chembl/assay_report_card/CHEMBL3801194/  target=_blank>CHEMBL3801194</a>";;;;;;;;;-6.67;;;;;;;;;;;;"Lassalas P, Gay B, Lasfargeas C, James MJ, Tran V, Vijayendran KG, Brunden KR, Kozlowski MC, Thomas CJ, Smith AB, Huryn DM, Ballatore C.: Structure Property Relationships of Carboxylic Acid Isosteres. J Med Chem, Volume 59 (7), 2016";ChEMBL
MM471410;MM471410;O=c1[nH]c(CCc2ccccc2)ns1;;206.27;1.62;137224948;;;CHEMBL3798958;GENER;EPAM;25;0;"ph = 7.4, <a href=https://www.ebi.ac.uk/chembl/assay_report_card/CHEMBL3801192/  target=_blank>CHEMBL3801192</a>";;;;;;;;;-4.94;;;;;;;;;;;;"Lassalas P, Gay B, Lasfargeas C, James MJ, Tran V, Vijayendran KG, Brunden KR, Kozlowski MC, Thomas CJ, Smith AB, Huryn DM, Ballatore C.: Structure Property Relationships of Carboxylic Acid Isosteres. J Med Chem, Volume 59 (7), 2016";ChEMBL
MM471410;MM471410;O=c1[nH]c(CCc2ccccc2)ns1;;206.27;1.62;137224948;;;CHEMBL3798958;GENER;EPAM;25;0;"ph = 7.4, <a href=https://www.ebi.ac.uk/chembl/assay_report_card/CHEMBL3801194/  target=_blank>CHEMBL3801194</a>";;;;;;;;;-4.94;;;;;;;;;;;;"Lassalas P, Gay B, Lasfargeas C, James MJ, Tran V, Vijayendran KG, Brunden KR, Kozlowski MC, Thomas CJ, Smith AB, Huryn DM, Ballatore C.: Structure Property Relationships of Carboxylic Acid Isosteres. J Med Chem, Volume 59 (7), 2016";ChEMBL
MM471406;MM471406;c1ccc(CCc2nn[nH]n2)cc1;;174.21;0.98;223452;;;CHEMBL3799425;GENER;EPAM;25;0;"ph = 7.4, <a href=https://www.ebi.ac.uk/chembl/assay_report_card/CHEMBL3801192/  target=_blank>CHEMBL3801192</a>";;;;;;;;;-6.32;;;;;;;;;;;;"Lassalas P, Gay B, Lasfargeas C, James MJ, Tran V, Vijayendran KG, Brunden KR, Kozlowski MC, Thomas CJ, Smith AB, Huryn DM, Ballatore C.: Structure Property Relationships of Carboxylic Acid Isosteres. J Med Chem, Volume 59 (7), 2016";ChEMBL
MM471406;MM471406;c1ccc(CCc2nn[nH]n2)cc1;;174.21;0.98;223452;;;CHEMBL3799425;GENER;EPAM;25;0;"ph = 7.4, <a href=https://www.ebi.ac.uk/chembl/assay_report_card/CHEMBL3801194/  target=_blank>CHEMBL3801194</a>";;;;;;;;;-6.33;;;;;;;;;;;;"Lassalas P, Gay B, Lasfargeas C, James MJ, Tran V, Vijayendran KG, Brunden KR, Kozlowski MC, Thomas CJ, Smith AB, Huryn DM, Ballatore C.: Structure Property Relationships of Carboxylic Acid Isosteres. J Med Chem, Volume 59 (7), 2016";ChEMBL
MM474546;MM474546;CC(C)CS(=O)(=O)n1ccc2c(-c3ccc(C(F)(F)F)cc3)cc(N3CCNCC3)nc21;CRZWHAXESOORIJ-UHFFFAOYSA-N;466.53;3.97;127047680;;;CHEMBL3799529;GENER;EPAM;25;0;"<a href=https://www.ebi.ac.uk/chembl/assay_report_card/CHEMBL3800745/  target=_blank>CHEMBL3800745</a>";;;;;;;;;-4.04;;;;;;;;;;;;"Fabritius CH, Pesonen U, Messinger J, Horvath R, Salo H, Gałęzowski M, Galek M, Stefańska K, Szeremeta-Spisak J, Olszak-Płachta M, Buda A, Adamczyk J, Król M, Prusis P, Sieprawska-Lupa M, Mikulski M, Kuokkanen K, Chapman H, Obuchowicz R, Korjamo T, Jalava N, Nowak M.: 1-Sulfonyl-6-Piperazinyl-7-Azaindoles as potent and pseudo-selective 5-HT6 receptor antagonists. Bioorg Med Chem Lett, Volume 26 (11), 2016";ChEMBL
MM471402;MM471402;CS(=O)(=O)NC(=O)CCc1ccccc1;;227.29;0.7;47232700;;;CHEMBL3799709;GENER;EPAM;25;0;"ph = 7.4, <a href=https://www.ebi.ac.uk/chembl/assay_report_card/CHEMBL3801192/  target=_blank>CHEMBL3801192</a>";;;;;;;;;-6.46;;;;;;;;;;;;"Lassalas P, Gay B, Lasfargeas C, James MJ, Tran V, Vijayendran KG, Brunden KR, Kozlowski MC, Thomas CJ, Smith AB, Huryn DM, Ballatore C.: Structure Property Relationships of Carboxylic Acid Isosteres. J Med Chem, Volume 59 (7), 2016";ChEMBL
MM471402;MM471402;CS(=O)(=O)NC(=O)CCc1ccccc1;;227.29;0.7;47232700;;;CHEMBL3799709;GENER;EPAM;25;0;"ph = 7.4, <a href=https://www.ebi.ac.uk/chembl/assay_report_card/CHEMBL3801194/  target=_blank>CHEMBL3801194</a>";;;;;;;;;-6.46;;;;;;;;;;;;"Lassalas P, Gay B, Lasfargeas C, James MJ, Tran V, Vijayendran KG, Brunden KR, Kozlowski MC, Thomas CJ, Smith AB, Huryn DM, Ballatore C.: Structure Property Relationships of Carboxylic Acid Isosteres. J Med Chem, Volume 59 (7), 2016";ChEMBL
MM471403;MM471403;CN(C)S(=O)(=O)NC(=O)CCc1ccccc1;;256.33;0.54;47363067;;;CHEMBL3799731;GENER;EPAM;25;0;"ph = 7.4, <a href=https://www.ebi.ac.uk/chembl/assay_report_card/CHEMBL3801192/  target=_blank>CHEMBL3801192</a>";;;;;;;;;-5.82;;;;;;;;;;;;"Lassalas P, Gay B, Lasfargeas C, James MJ, Tran V, Vijayendran KG, Brunden KR, Kozlowski MC, Thomas CJ, Smith AB, Huryn DM, Ballatore C.: Structure Property Relationships of Carboxylic Acid Isosteres. J Med Chem, Volume 59 (7), 2016";ChEMBL
MM471403;MM471403;CN(C)S(=O)(=O)NC(=O)CCc1ccccc1;;256.33;0.54;47363067;;;CHEMBL3799731;GENER;EPAM;25;0;"ph = 7.4, <a href=https://www.ebi.ac.uk/chembl/assay_report_card/CHEMBL3801194/  target=_blank>CHEMBL3801194</a>";;;;;;;;;-5.81;;;;;;;;;;;;"Lassalas P, Gay B, Lasfargeas C, James MJ, Tran V, Vijayendran KG, Brunden KR, Kozlowski MC, Thomas CJ, Smith AB, Huryn DM, Ballatore C.: Structure Property Relationships of Carboxylic Acid Isosteres. J Med Chem, Volume 59 (7), 2016";ChEMBL
MM471411;MM471411;O=S1N=C(CCc2ccccc2)NO1;YBZGIOKQLBGMBC-UHFFFAOYSA-N;210.26;1.13;127047938;;;CHEMBL3799830;GENER;EPAM;25;0;"ph = 7.4, <a href=https://www.ebi.ac.uk/chembl/assay_report_card/CHEMBL3801194/  target=_blank>CHEMBL3801194</a>";;;;;;;;;-6.96;;;;;;;;;;;;"Lassalas P, Gay B, Lasfargeas C, James MJ, Tran V, Vijayendran KG, Brunden KR, Kozlowski MC, Thomas CJ, Smith AB, Huryn DM, Ballatore C.: Structure Property Relationships of Carboxylic Acid Isosteres. J Med Chem, Volume 59 (7), 2016";ChEMBL
MM471399;MM471399;O=[PH](O)CCc1ccccc1;;170.15;1.7;;;;CHEMBL3799900;GENER;EPAM;25;0;"ph = 7.4, <a href=https://www.ebi.ac.uk/chembl/assay_report_card/CHEMBL3801192/  target=_blank>CHEMBL3801192</a>";;;;;;;;;-7.77;;;;;;;;;;;;"Lassalas P, Gay B, Lasfargeas C, James MJ, Tran V, Vijayendran KG, Brunden KR, Kozlowski MC, Thomas CJ, Smith AB, Huryn DM, Ballatore C.: Structure Property Relationships of Carboxylic Acid Isosteres. J Med Chem, Volume 59 (7), 2016";ChEMBL
MM471399;MM471399;O=[PH](O)CCc1ccccc1;;170.15;1.7;;;;CHEMBL3799900;GENER;EPAM;25;0;"ph = 7.4, <a href=https://www.ebi.ac.uk/chembl/assay_report_card/CHEMBL3801194/  target=_blank>CHEMBL3801194</a>";;;;;;;;;-7.77;;;;;;;;;;;;"Lassalas P, Gay B, Lasfargeas C, James MJ, Tran V, Vijayendran KG, Brunden KR, Kozlowski MC, Thomas CJ, Smith AB, Huryn DM, Ballatore C.: Structure Property Relationships of Carboxylic Acid Isosteres. J Med Chem, Volume 59 (7), 2016";ChEMBL
MM471412;MM471412;S=c1nc(CCc2ccccc2)[nH]o1;ASNKYVLXSCWECJ-UHFFFAOYSA-N;206.27;2.52;62956691;;;CHEMBL3800111;GENER;EPAM;25;0;"ph = 7.4, <a href=https://www.ebi.ac.uk/chembl/assay_report_card/CHEMBL3801194/  target=_blank>CHEMBL3801194</a>";;;;;;;;;-6.49;;;;;;;;;;;;"Lassalas P, Gay B, Lasfargeas C, James MJ, Tran V, Vijayendran KG, Brunden KR, Kozlowski MC, Thomas CJ, Smith AB, Huryn DM, Ballatore C.: Structure Property Relationships of Carboxylic Acid Isosteres. J Med Chem, Volume 59 (7), 2016";ChEMBL
MM471414;MM471414;O=C1CC(=O)C(Cc2ccccc2)N1;KXJCIAXLTIETRA-UHFFFAOYSA-N;189.21;0.69;13197669;;;CHEMBL3800207;GENER;EPAM;25;0;"ph = 7.4, <a href=https://www.ebi.ac.uk/chembl/assay_report_card/CHEMBL3801194/  target=_blank>CHEMBL3801194</a>";;;;;;;;;-5.6;;;;;;;;;;;;"Lassalas P, Gay B, Lasfargeas C, James MJ, Tran V, Vijayendran KG, Brunden KR, Kozlowski MC, Thomas CJ, Smith AB, Huryn DM, Ballatore C.: Structure Property Relationships of Carboxylic Acid Isosteres. J Med Chem, Volume 59 (7), 2016";ChEMBL
MM474225;MM474225;CC(=O)Nc1ccc(-c2ccc(NCC(=O)Nc3ccc(CN4CCNCC4)c(C(F)(F)F)c3)cc2)cn1;ZJWPYYIRORJZPQ-UHFFFAOYSA-N;526.56;4.18;76071624;;;CHEMBL3804921;GENER;EPAM;25;0;"<a href=https://www.ebi.ac.uk/chembl/assay_report_card/CHEMBL3806830/  target=_blank>CHEMBL3806830</a>";;;;;;;;;-5.95;;;;;;;;;;;;"Cherian J, Nacro K, Poh ZY, Guo S, Jeyaraj DA, Wong YX, Ho M, Yang HY, Joy JK, Kwek ZP, Liu B, Wee JL, Ong EH, Choong ML, Poulsen A, Lee MA, Pendharkar V, Ding LJ, Manoharan V, Chew YS, Sangthongpitag K, Lim S, Ong ST, Hill J, Keller TH.: Structure-Activity Relationship Studies of Mitogen Activated Protein Kinase Interacting Kinase (MNK) 1 and 2 and BCR-ABL1 Inhibitors Targeting Chronic Myeloid Leukemic Cells. J Med Chem, Volume 59 (7), 2016";ChEMBL
MM474226;MM474226;O=C(CNc1ccc(-c2ccc(NC(=O)C3CC3)nc2)cc1)Nc1ccc(CN2CCNCC2)c(C(F)(F)F)c1;FCCJIRJUDAWXRO-UHFFFAOYSA-N;552.6;4.57;76071506;;;CHEMBL3805330;GENER;EPAM;25;0;"<a href=https://www.ebi.ac.uk/chembl/assay_report_card/CHEMBL3806830/  target=_blank>CHEMBL3806830</a>";;;;;;;;;-5.26;;;;;;;;;;;;"Cherian J, Nacro K, Poh ZY, Guo S, Jeyaraj DA, Wong YX, Ho M, Yang HY, Joy JK, Kwek ZP, Liu B, Wee JL, Ong EH, Choong ML, Poulsen A, Lee MA, Pendharkar V, Ding LJ, Manoharan V, Chew YS, Sangthongpitag K, Lim S, Ong ST, Hill J, Keller TH.: Structure-Activity Relationship Studies of Mitogen Activated Protein Kinase Interacting Kinase (MNK) 1 and 2 and BCR-ABL1 Inhibitors Targeting Chronic Myeloid Leukemic Cells. J Med Chem, Volume 59 (7), 2016";ChEMBL
MM474227;MM474227;CCN1CCN(Cc2ccc(NC(=O)CNc3ccc(-c4ccc(NC(=O)C5CC5)nc4)cc3)cc2C(F)(F)F)CC1;JONUUBFCZUAOFY-UHFFFAOYSA-N;580.66;5.3;76071144;;;CHEMBL3805771;GENER;EPAM;25;0;"<a href=https://www.ebi.ac.uk/chembl/assay_report_card/CHEMBL3806830/  target=_blank>CHEMBL3806830</a>";;;;;;;;;-4.46;;;;;;;;;;;;"Cherian J, Nacro K, Poh ZY, Guo S, Jeyaraj DA, Wong YX, Ho M, Yang HY, Joy JK, Kwek ZP, Liu B, Wee JL, Ong EH, Choong ML, Poulsen A, Lee MA, Pendharkar V, Ding LJ, Manoharan V, Chew YS, Sangthongpitag K, Lim S, Ong ST, Hill J, Keller TH.: Structure-Activity Relationship Studies of Mitogen Activated Protein Kinase Interacting Kinase (MNK) 1 and 2 and BCR-ABL1 Inhibitors Targeting Chronic Myeloid Leukemic Cells. J Med Chem, Volume 59 (7), 2016";ChEMBL
MM474224;MM474224;CCN1CCN(Cc2ccc(NC(=O)CNc3ccc(-c4ccc(NC(C)=O)nc4)cc3)cc2C(F)(F)F)CC1;RVMLNNCKNCFOFH-UHFFFAOYSA-N;554.62;4.91;76071142;;;CHEMBL3805891;GENER;EPAM;25;0;"<a href=https://www.ebi.ac.uk/chembl/assay_report_card/CHEMBL3806830/  target=_blank>CHEMBL3806830</a>";;;;;;;;;-4.58;;;;;;;;;;;;"Cherian J, Nacro K, Poh ZY, Guo S, Jeyaraj DA, Wong YX, Ho M, Yang HY, Joy JK, Kwek ZP, Liu B, Wee JL, Ong EH, Choong ML, Poulsen A, Lee MA, Pendharkar V, Ding LJ, Manoharan V, Chew YS, Sangthongpitag K, Lim S, Ong ST, Hill J, Keller TH.: Structure-Activity Relationship Studies of Mitogen Activated Protein Kinase Interacting Kinase (MNK) 1 and 2 and BCR-ABL1 Inhibitors Targeting Chronic Myeloid Leukemic Cells. J Med Chem, Volume 59 (7), 2016";ChEMBL
MM474228;MM474228;CN1CCN(Cc2ccc(NC(=O)CNc3ccc(-c4ccc(NC(=O)C5CC5)nc4)cc3F)cc2C(F)(F)F)CC1;CGMQSJXTBXHOTH-UHFFFAOYSA-N;584.62;5.05;73438493;;;CHEMBL3806189;GENER;EPAM;25;0;"<a href=https://www.ebi.ac.uk/chembl/assay_report_card/CHEMBL3806830/  target=_blank>CHEMBL3806830</a>";;;;;;;;;-4.51;;;;;;;;;;;;"Cherian J, Nacro K, Poh ZY, Guo S, Jeyaraj DA, Wong YX, Ho M, Yang HY, Joy JK, Kwek ZP, Liu B, Wee JL, Ong EH, Choong ML, Poulsen A, Lee MA, Pendharkar V, Ding LJ, Manoharan V, Chew YS, Sangthongpitag K, Lim S, Ong ST, Hill J, Keller TH.: Structure-Activity Relationship Studies of Mitogen Activated Protein Kinase Interacting Kinase (MNK) 1 and 2 and BCR-ABL1 Inhibitors Targeting Chronic Myeloid Leukemic Cells. J Med Chem, Volume 59 (7), 2016";ChEMBL
Diazepam;MM00094;CN1C(=O)CN=C(c2ccccc2)c2cc(Cl)ccc21;AAOVKJBEBIDNHE-UHFFFAOYSA-N;284.75;3.15;3016;DB00829;DZP;CHEMBL12;BBB;EPAM;25;0;"<a href=https://www.ebi.ac.uk/chembl/assay_report_card/CHEMBL3406060/  target=_blank>CHEMBL3406060</a>";;;;;;;;;-4.8;;;;;;;;;;;;"Sang Z, Li Y, Qiang X, Xiao G, Liu Q, Tan Z, Deng Y.: Multifunctional scutellarin-rivastigmine hybrids with cholinergic, antioxidant, biometal chelating and neuroprotective properties for the treatment of Alzheimer's disease. Bioorg Med Chem, Volume 23 (4), 2015";ChEMBL
Diazepam;MM00094;CN1C(=O)CN=C(c2ccccc2)c2cc(Cl)ccc21;AAOVKJBEBIDNHE-UHFFFAOYSA-N;284.75;3.15;3016;DB00829;DZP;CHEMBL12;BBB;EPAM;25;0;"<a href=https://www.ebi.ac.uk/chembl/assay_report_card/CHEMBL3406061/  target=_blank>CHEMBL3406061</a>";;;;;;;;;-4.93;;;;;;;;;;;;"Sang Z, Li Y, Qiang X, Xiao G, Liu Q, Tan Z, Deng Y.: Multifunctional scutellarin-rivastigmine hybrids with cholinergic, antioxidant, biometal chelating and neuroprotective properties for the treatment of Alzheimer's disease. Bioorg Med Chem, Volume 23 (4), 2015";ChEMBL
MM473308;MM473308;CCN1CCN(c2cc(F)c(NC(=O)N3CCc4c(-c5cnc(N)nc5)nc(N5CCOCC5)nc43)c(F)c2)CC1;BPFCAIMDJPJDIW-UHFFFAOYSA-N;566.62;2.37;;;;;GENER;EPAM;25;0;"<a href=https://www.ebi.ac.uk/chembl/assay_report_card/CHEMBL3811734/  target=_blank>CHEMBL3811734</a>";;;;;;;;;-5.96;;;;;;;;;;;;"Kawada H, Ebiike H, Tsukazaki M, Yamamoto S, Koyama K, Nakamura M, Morikami K, Yoshinari K, Yoshida M, Ogawa K, Shimma N, Tsukuda T, Ohwada J.: Optimization of the phenylurea moiety in a phosphoinositide 3-kinase (PI3K) inhibitor to improve water solubility and the PK profile by introducing a solubilizing group and ortho substituents. Bioorg Med Chem, Volume 24 (13), 2016";ChEMBL
MM472760;MM472760;NC(=O)c1ccc2c(c1)nc(C1CCC(O)CC1)n2CCO;SDTXZRMORPGVBY-UMSPYCQHSA-N;303.36;1.15;127050562;;;CHEMBL3814293;GENER;EPAM;25;0;"<a href=https://www.ebi.ac.uk/chembl/assay_report_card/CHEMBL3817419/  target=_blank>CHEMBL3817419</a>";;;;;;;;;-4.12;;;;;;;;;;;;"Kim H, Kim MK, Choo H, Chong Y.: Novel JAK1-selective benzimidazole inhibitors with enhanced membrane permeability. Bioorg Med Chem Lett, Volume 26 (14), 2016";ChEMBL
MM472758;MM472758;CNCCn1c(C2CCNCC2)nc2cc(C(N)=O)ccc21;QLSPDZMEKDDYAE-UHFFFAOYSA-N;301.39;0.82;127052080;;;CHEMBL3814934;GENER;EPAM;25;0;"<a href=https://www.ebi.ac.uk/chembl/assay_report_card/CHEMBL3817419/  target=_blank>CHEMBL3817419</a>";;;;;;;;;-4.32;;;;;;;;;;;;"Kim H, Kim MK, Choo H, Chong Y.: Novel JAK1-selective benzimidazole inhibitors with enhanced membrane permeability. Bioorg Med Chem Lett, Volume 26 (14), 2016";ChEMBL
Diazepam;MM00094;CN1C(=O)CN=C(c2ccccc2)c2cc(Cl)ccc21;AAOVKJBEBIDNHE-UHFFFAOYSA-N;284.75;3.15;3016;DB00829;DZP;CHEMBL12;BBB;EPAM;25;0;"<a href=https://www.ebi.ac.uk/chembl/assay_report_card/CHEMBL3874684/  target=_blank>CHEMBL3874684</a>";;;;;;;;;-4.93;;;;;;;;;;;;"Li Y, Qiang X, Luo L, Yang X, Xiao G, Zheng Y, Cao Z, Sang Z, Su F, Deng Y.: Multitarget drug design strategy against Alzheimer's disease: Homoisoflavonoid Mannich base derivatives serve as acetylcholinesterase and monoamine oxidase B dual inhibitors with multifunctional properties. Bioorg Med Chem, Volume 25 (2), 2017";ChEMBL
MM472759;MM472759;CNCCn1c(C2CCC(O)CC2)nc2cc(C(N)=O)ccc21;JJSWBDODYQEHNP-AULYBMBSSA-N;316.41;1.37;127050565;;;CHEMBL3815154;GENER;EPAM;25;0;"<a href=https://www.ebi.ac.uk/chembl/assay_report_card/CHEMBL3817419/  target=_blank>CHEMBL3817419</a>";;;;;;;;;-4.04;;;;;;;;;;;;"Kim H, Kim MK, Choo H, Chong Y.: Novel JAK1-selective benzimidazole inhibitors with enhanced membrane permeability. Bioorg Med Chem Lett, Volume 26 (14), 2016";ChEMBL
Diazepam;MM00094;CN1C(=O)CN=C(c2ccccc2)c2cc(Cl)ccc21;AAOVKJBEBIDNHE-UHFFFAOYSA-N;284.75;3.15;3016;DB00829;DZP;CHEMBL12;BBB;EPAM;25;0;"<a href=https://www.ebi.ac.uk/chembl/assay_report_card/CHEMBL3874685/  target=_blank>CHEMBL3874685</a>";;;;;;;;;-4.8;;;;;;;;;;;;"Li Y, Qiang X, Luo L, Yang X, Xiao G, Zheng Y, Cao Z, Sang Z, Su F, Deng Y.: Multitarget drug design strategy against Alzheimer's disease: Homoisoflavonoid Mannich base derivatives serve as acetylcholinesterase and monoamine oxidase B dual inhibitors with multifunctional properties. Bioorg Med Chem, Volume 25 (2), 2017";ChEMBL
MM473121;MM473121;CN(CC=CCN)CC1OC(n2cnc3c(N)ncnc32)C(O)C1O;YWJCZGDVJQLZET-GGHFOJMISA-N;349.4;-1.53;6436013;;;CHEMBL381751;GENER;EPAM;25;0;"<a href=https://www.ebi.ac.uk/chembl/assay_report_card/CHEMBL1653937/  target=_blank>CHEMBL1653937</a>";;;;;;;;;-6.89;;;;;;;;;;;;"Barker RH, Liu H, Hirth B, Celatka CA, Fitzpatrick R, Xiang Y, Willert EK, Phillips MA, Kaiser M, Bacchi CJ, Rodriguez A, Yarlett N, Klinger JD, Sybertz E.: Novel S-adenosylmethionine decarboxylase inhibitors for the treatment of human African trypanosomiasis. Antimicrob Agents Chemother, Volume 53 (5), 2009";ChEMBL
Diazepam;MM00094;CN1C(=O)CN=C(c2ccccc2)c2cc(Cl)ccc21;AAOVKJBEBIDNHE-UHFFFAOYSA-N;284.75;3.15;3016;DB00829;DZP;CHEMBL12;BBB;EPAM;25;0;"<a href=https://www.ebi.ac.uk/chembl/assay_report_card/CHEMBL3876767/  target=_blank>CHEMBL3876767</a>";;;;;;;;;-4.96;;;;;;;;;;;;"Xiao G, Li Y, Qiang X, Xu R, Zheng Y, Cao Z, Luo L, Yang X, Sang Z, Su F, Deng Y.: Design, synthesis and biological evaluation of 4'-aminochalcone-rivastigmine hybrids as multifunctional agents for the treatment of Alzheimer's disease. Bioorg Med Chem, Volume 25 (3), 2017";ChEMBL
MM472761;MM472761;CC(C)CC1C(=O)NC(Cc2ccc(O)cc2)C(=O)N(C)C(Cc2ccccc2)C(=O)NC(C)C(C(=O)NC(C)(C)C)N2CCCC2C(=O)NC(C(C)O)C(=O)N1C;KNXLYTVFLBCZEI-UTSIAXRKSA-N;806.02;1.49;127049373;;;CHEMBL3818638;GENER;EPAM;25;0;"<a href=https://www.ebi.ac.uk/chembl/assay_report_card/CHEMBL3821110/  target=_blank>CHEMBL3821110</a>";;;;;;;;;-5.4;;;;;;;;;;;;"Hickey JL, Zaretsky S, St Denis MA, Kumar Chakka S, Morshed MM, Scully CC, Roughton AL, Yudin AK.: Passive Membrane Permeability of Macrocycles Can Be Controlled by Exocyclic Amide Bonds. J Med Chem, Volume 59 (11), 2016";ChEMBL
Diazepam;MM00094;CN1C(=O)CN=C(c2ccccc2)c2cc(Cl)ccc21;AAOVKJBEBIDNHE-UHFFFAOYSA-N;284.75;3.15;3016;DB00829;DZP;CHEMBL12;BBB;EPAM;25;0;"<a href=https://www.ebi.ac.uk/chembl/assay_report_card/CHEMBL3994367/  target=_blank>CHEMBL3994367</a>";;;;;;;;;-4.96;;;;;;;;;;;;"Luo L, Li Y, Qiang X, Cao Z, Xu R, Yang X, Xiao G, Song Q, Tan Z, Deng Y.: Multifunctional thioxanthone derivatives with acetylcholinesterase, monoamine oxidases and β-amyloid aggregation inhibitory activities as potential agents against Alzheimer's disease. Bioorg Med Chem, Volume 25 (6), 2017";ChEMBL
MM472454;MM472454;CCc1cnc(N2CCC(n3ncc4cc(-c5ccc(S(C)(=O)=O)cc5F)ncc43)CC2)nc1;JRWQQVIJNHRANF-UHFFFAOYSA-N;480.57;3.83;;;;;GENER;EPAM;25;0;"ph = 6.2, <a href=https://www.ebi.ac.uk/chembl/assay_report_card/CHEMBL3825583/  target=_blank>CHEMBL3825583</a>";;;;;;;;;-3.95;;;;;;;;;;;;"Matsuda D, Kobashi Y, Mikami A, Kawamura M, Shiozawa F, Kawabe K, Hamada M, Oda K, Nishimoto S, Kimura K, Miyoshi M, Takayama N, Kakinuma H, Ohtake N.: Design and synthesis of 1H-pyrazolo[3,4-c]pyridine derivatives as a novel structural class of potent GPR119 agonists. Bioorg Med Chem Lett, Volume 26 (15), 2016";ChEMBL
Diazepam;MM00094;CN1C(=O)CN=C(c2ccccc2)c2cc(Cl)ccc21;AAOVKJBEBIDNHE-UHFFFAOYSA-N;284.75;3.15;3016;DB00829;DZP;CHEMBL12;BBB;EPAM;25;0;"ph = 7.4, <a href=https://www.ebi.ac.uk/chembl/assay_report_card/CHEMBL3994366/  target=_blank>CHEMBL3994366</a>";;;;;;;;;-4.8;;;;;;;;;;;;"Luo L, Li Y, Qiang X, Cao Z, Xu R, Yang X, Xiao G, Song Q, Tan Z, Deng Y.: Multifunctional thioxanthone derivatives with acetylcholinesterase, monoamine oxidases and β-amyloid aggregation inhibitory activities as potential agents against Alzheimer's disease. Bioorg Med Chem, Volume 25 (6), 2017";ChEMBL
MM473310;MM473310;CNCCNc1cc(N2CCN(C(=O)C(C)(C)c3ccccc3)CC2)nc2ccccc12;DQWMECMNABFOQZ-UHFFFAOYSA-N;431.58;3.49;127044021;;;CHEMBL3826999;GENER;EPAM;25;0;"<a href=https://www.ebi.ac.uk/chembl/assay_report_card/CHEMBL3828993/  target=_blank>CHEMBL3828993</a>";;;;;;;;;-5.86;;;;;;;;;;;;"Zheng X, Wang L, Wang B, Miao K, Xiang K, Feng S, Gao L, Shen HC, Yun H.: Discovery of Piperazinylquinoline Derivatives as Novel Respiratory Syncytial Virus Fusion Inhibitors. ACS Med Chem Lett, Volume 7 (6), 2016";ChEMBL
MM473309;MM473309;CC(C)(C(=O)N1CCN(c2cc(NCCN)c3ccccc3n2)CC1)c1ccccc1;TXTHMFXJZRLBKD-UHFFFAOYSA-N;417.56;3.23;;;;;GENER;EPAM;25;0;"<a href=https://www.ebi.ac.uk/chembl/assay_report_card/CHEMBL3828993/  target=_blank>CHEMBL3828993</a>";;;;;;;;;-6.13;;;;;;;;;;;;"Zheng X, Wang L, Wang B, Miao K, Xiang K, Feng S, Gao L, Shen HC, Yun H.: Discovery of Piperazinylquinoline Derivatives as Novel Respiratory Syncytial Virus Fusion Inhibitors. ACS Med Chem Lett, Volume 7 (6), 2016";ChEMBL
Testosterone;MM00423;CC12CCC(=O)C=C1CCC1C2CCC2(C)C(O)CCC12;MUMGGOZAMZWBJJ-UHFFFAOYSA-N;288.43;3.88;6013;DB00624;TES;CHEMBL386630;GENER;EPAM;25;0;"ph = 6.5, <a href=https://www.ebi.ac.uk/chembl/assay_report_card/CHEMBL3996779/  target=_blank>CHEMBL3996779</a>";;;;;;;;;-3.7;;;;;;;;;;;;"Singh K, Okombo J, Brunschwig C, Ndubi F, Barnard L, Wilkinson C, Njogu PM, Njoroge M, Laing L, Machado M, Prudêncio M, Reader J, Botha M, Nondaba S, Birkholtz LM, Lauterbach S, Churchyard A, Coetzer TL, Burrows JN, Yeates C, Denti P, Wiesner L, Egan TJ, Wittlin S, Chibale K.: Antimalarial Pyrido[1,2-a]benzimidazoles: Lead Optimization, Parasite Life Cycle Stage Profile, Mechanistic Evaluation, Killing Kinetics, and in Vivo Oral Efficacy in a Mouse Model. J Med Chem, Volume 60 (4), 2017";ChEMBL
Diazepam;MM00094;CN1C(=O)CN=C(c2ccccc2)c2cc(Cl)ccc21;AAOVKJBEBIDNHE-UHFFFAOYSA-N;284.75;3.15;3016;DB00829;DZP;CHEMBL12;BBB;EPAM;25;0;"<a href=https://www.ebi.ac.uk/chembl/assay_report_card/CHEMBL4004497/  target=_blank>CHEMBL4004497</a>";;;;;;;;;-4.93;;;;;;;;;;;;"Qiang X, Li Y, Yang X, Luo L, Xu R, Zheng Y, Cao Z, Tan Z, Deng Y.: DL-3-n-butylphthalide-Edaravone hybrids as novel dual inhibitors of amyloid-β aggregation and monoamine oxidases with high antioxidant potency for Alzheimer's therapy. Bioorg Med Chem Lett, Volume 27 (4), 2017";ChEMBL
Testosterone;MM00423;CC12CCC(=O)C=C1CCC1C2CCC2(C)C(O)CCC12;MUMGGOZAMZWBJJ-UHFFFAOYSA-N;288.43;3.88;6013;DB00624;TES;CHEMBL386630;GENER;EPAM;25;0;"ph = 6.8, <a href=https://www.ebi.ac.uk/chembl/assay_report_card/CHEMBL2443896/  target=_blank>CHEMBL2443896</a>";;;;;;;;;-3.4;;;;;;;;;;;;"de Candia M, Fiorella F, Lopopolo G, Carotti A, Romano MR, Lograno MD, Martel S, Carrupt PA, Belviso BD, Caliandro R, Altomare C.: Synthesis and biological evaluation of direct thrombin inhibitors bearing 4-(piperidin-1-yl)pyridine at the P1 position with potent anticoagulant activity. J Med Chem, Volume 56 (21), 2013";ChEMBL
Testosterone;MM00423;CC12CCC(=O)C=C1CCC1C2CCC2(C)C(O)CCC12;MUMGGOZAMZWBJJ-UHFFFAOYSA-N;288.43;3.88;6013;DB00624;TES;CHEMBL386630;GENER;EPAM;25;0;"<a href=https://www.ebi.ac.uk/chembl/assay_report_card/CHEMBL902035/  target=_blank>CHEMBL902035</a>";;;;;;;;;-5.06;;;;;;;;;;;;"Chatterjee J, Ovadia O, Zahn G, Marinelli L, Hoffman A, Gilon C, Kessler H.: Multiple N-methylation by a designed approach enhances receptor selectivity. J Med Chem, Volume 50 (24), 2007";ChEMBL
Diazepam;MM00094;CN1C(=O)CN=C(c2ccccc2)c2cc(Cl)ccc21;AAOVKJBEBIDNHE-UHFFFAOYSA-N;284.75;3.15;3016;DB00829;DZP;CHEMBL12;BBB;EPAM;25;0;"<a href=https://www.ebi.ac.uk/chembl/assay_report_card/CHEMBL4048115/  target=_blank>CHEMBL4048115</a>";;;;;;;;;-4.93;;;;;;;;;;;;"Sang Z, Wang K, Wang H, Wang H, Ma Q, Han X, Ye M, Yu L, Liu W.: Design, synthesis and biological evaluation of 2-acetyl-5-O-(amino-alkyl)phenol derivatives as multifunctional agents for the treatment of Alzheimer's disease. Bioorg Med Chem Lett, Volume 27 (22), 2017";ChEMBL
MM472519;MM472519;c1ccc(Nc2ccccc2)cc1;DMBHHRLKUKUOEG-UHFFFAOYSA-N;169.23;3.43;;;;;GENER;EPAM;25;0;"<a href=https://www.ebi.ac.uk/chembl/assay_report_card/CHEMBL905612/  target=_blank>CHEMBL905612</a>";;;;;;;;;-5.51;;;;;;;;;;;;"Fujikawa M, Nakao K, Shimizu R, Akamatsu M.: QSAR study on permeability of hydrophobic compounds with artificial membranes. Bioorg Med Chem, Volume 15 (11), 3756-3767, 2007";ChEMBL
MM473143;MM473143;NC(N)=NCCCC(N)C(=O)NC(Cc1ccc(-c2ccccc2)cc1)C(=O)NC(CCCN=C(N)N)C(=O)NCc1ccccc1;IIUQVWAODMBQQA-AWCRTANDSA-N;642.81;1.04;16735546;;;CHEMBL387573;GENER;EPAM;25;0;"<a href=https://www.ebi.ac.uk/chembl/assay_report_card/CHEMBL1769838/  target=_blank>CHEMBL1769838</a>";;;;;;;;;-8;;;;;;;;;;;;"Flaten GE, Kottra G, Stensen W, Isaksen G, Karstad R, Svendsen JS, Daniel H, Svenson J.: In vitro characterization of human peptide transporter hPEPT1 interactions and passive permeation studies of short cationic antimicrobial peptides. J Med Chem, Volume 54 (7), 2011";ChEMBL
MM472521;MM472521;CC(C)(C)N(NC(=O)c1ccccc1)C(=O)c1ccccc1;;296.37;3.27;;;;CHEMBL387744;GENER;EPAM;25;0;"<a href=https://www.ebi.ac.uk/chembl/assay_report_card/CHEMBL905612/  target=_blank>CHEMBL905612</a>";;;;;;;;;-4.78;;;;;;;;;;;;"Fujikawa M, Nakao K, Shimizu R, Akamatsu M.: QSAR study on permeability of hydrophobic compounds with artificial membranes. Bioorg Med Chem, Volume 15 (11), 3756-3767, 2007";ChEMBL
MM472521;MM472521;CC(C)(C)N(NC(=O)c1ccccc1)C(=O)c1ccccc1;;296.37;3.27;;;;CHEMBL387744;GENER;EPAM;25;0;"<a href=https://www.ebi.ac.uk/chembl/assay_report_card/CHEMBL3066824/  target=_blank>CHEMBL3066824</a>";;;;;;;;;-4.78;;;;;;;;;;;;"Akamatsu M.: Importance of physicochemical properties for the design of new pesticides. J Agric Food Chem, Volume 59 (7), 2011";ChEMBL
Diazepam;MM00094;CN1C(=O)CN=C(c2ccccc2)c2cc(Cl)ccc21;AAOVKJBEBIDNHE-UHFFFAOYSA-N;284.75;3.15;3016;DB00829;DZP;CHEMBL12;BBB;EPAM;25;0;"<a href=https://www.ebi.ac.uk/chembl/assay_report_card/CHEMBL4003401/  target=_blank>CHEMBL4003401</a>";;;;;;;;;-4.93;;;;;;;;;;;;"Li Y, Qiang X, Luo L, Yang X, Xiao G, Liu Q, Ai J, Tan Z, Deng Y.: Aurone Mannich base derivatives as promising multifunctional agents with acetylcholinesterase inhibition, anti-β-amyloid aggragation and neuroprotective properties for the treatment of Alzheimer's disease. Eur J Med Chem, Volume 126, 2017";ChEMBL
MM471418;MM471418;Cc1ccccc1-c1nc(CN2CCC(C(=O)NCCCN3CCCCC3)CC2)c(C)o1;;438.62;4.16;66553041;;;CHEMBL3883367;GENER;EPAM;25;0;"<a href=https://www.ebi.ac.uk/chembl/assay_report_card/CHEMBL4039805/  target=_blank>CHEMBL4039805</a>";;;;;;;;;-4.46;;;;;;;;;;;;"He S, Li K, Lin B, Hu Z, Xiao J, Hu X, Wang AQ, Xu X, Ferrer M, Southall N, Zheng W, Aubé J, Schoenen FJ, Marugan JJ, Liang TJ, Frankowski KJ.: Development of an Aryloxazole Class of Hepatitis C Virus Inhibitors Targeting the Entry Stage of the Viral Replication Cycle. J Med Chem, Volume 60 (14), 2017";ChEMBL
Diazepam;MM00094;CN1C(=O)CN=C(c2ccccc2)c2cc(Cl)ccc21;AAOVKJBEBIDNHE-UHFFFAOYSA-N;284.75;3.15;3016;DB00829;DZP;CHEMBL12;BBB;EPAM;25;0;"<a href=https://www.ebi.ac.uk/chembl/assay_report_card/CHEMBL4003402/  target=_blank>CHEMBL4003402</a>";;;;;;;;;-4.8;;;;;;;;;;;;"Li Y, Qiang X, Luo L, Yang X, Xiao G, Liu Q, Ai J, Tan Z, Deng Y.: Aurone Mannich base derivatives as promising multifunctional agents with acetylcholinesterase inhibition, anti-β-amyloid aggragation and neuroprotective properties for the treatment of Alzheimer's disease. Eur J Med Chem, Volume 126, 2017";ChEMBL
MM472529;MM472529;CC(C)OP(=O)(OC(C)C)SCc1ccccc1;FCOAHACKGGIURQ-UHFFFAOYSA-N;288.35;4.88;;;;;GENER;EPAM;25;0;"<a href=https://www.ebi.ac.uk/chembl/assay_report_card/CHEMBL905612/  target=_blank>CHEMBL905612</a>";;;;;;;;;-4.93;;;;;;;;;;;;"Fujikawa M, Nakao K, Shimizu R, Akamatsu M.: QSAR study on permeability of hydrophobic compounds with artificial membranes. Bioorg Med Chem, Volume 15 (11), 3756-3767, 2007";ChEMBL
Diazepam;MM00094;CN1C(=O)CN=C(c2ccccc2)c2cc(Cl)ccc21;AAOVKJBEBIDNHE-UHFFFAOYSA-N;284.75;3.15;3016;DB00829;DZP;CHEMBL12;BBB;EPAM;25;0;"<a href=https://www.ebi.ac.uk/chembl/assay_report_card/CHEMBL4330470/  target=_blank>CHEMBL4330470</a>";;;;;;;;;-4.8;;;;;;;;;;;;"Srivastava P, Tripathi PN, Sharma P, Rai SN, Singh SP, Srivastava RK, Shankar S, Shrivastava SK.: Design and development of some phenyl benzoxazole derivatives as a potent acetylcholinesterase inhibitor with antioxidant property to enhance learning and memory. Eur J Med Chem, Volume 163, 2019";ChEMBL
MM471426;MM471426;Cc1ccccc1-c1nc(CN2CCC(C(=O)NCCCN3CCCC(CC(C)C)C3)CC2)c(C)o1;;494.72;5.43;72193939;;;CHEMBL3885120;GENER;EPAM;25;0;"<a href=https://www.ebi.ac.uk/chembl/assay_report_card/CHEMBL4039805/  target=_blank>CHEMBL4039805</a>";;;;;;;;;-5.52;;;;;;;;;;;;"He S, Li K, Lin B, Hu Z, Xiao J, Hu X, Wang AQ, Xu X, Ferrer M, Southall N, Zheng W, Aubé J, Schoenen FJ, Marugan JJ, Liang TJ, Frankowski KJ.: Development of an Aryloxazole Class of Hepatitis C Virus Inhibitors Targeting the Entry Stage of the Viral Replication Cycle. J Med Chem, Volume 60 (14), 2017";ChEMBL
MM472534;MM472534;CCN(CC)C(=O)SCc1ccc(Cl)cc1;;257.79;4.04;;;;CHEMBL388559;GENER;EPAM;25;0;"<a href=https://www.ebi.ac.uk/chembl/assay_report_card/CHEMBL905612/  target=_blank>CHEMBL905612</a>";;;;;;;;;-4.69;;;;;;;;;;;;"Fujikawa M, Nakao K, Shimizu R, Akamatsu M.: QSAR study on permeability of hydrophobic compounds with artificial membranes. Bioorg Med Chem, Volume 15 (11), 3756-3767, 2007";ChEMBL
MM474184;MM474184;O=C(O)c1ccc(O)c2ncccc12;JGRPKOGHYBAVMW-UHFFFAOYSA-N;189.17;1.64;;;;;BBB;EPAM;25;0;"<a href=https://www.ebi.ac.uk/chembl/assay_report_card/CHEMBL3637355/  target=_blank>CHEMBL3637355</a>";;;;;;;;;-5.7;;;;;;;;;;;;"Feng T, Li D, Wang H, Zhuang J, Liu F, Bao Q, Lei Y, Chen W, Zhang X, Xu X, Sun H, You Q, Guo X.: Novel 5-carboxy-8-HQ based histone demethylase JMJD2A inhibitors: introduction of an additional carboxyl group at the C-2 position of quinoline. Eur J Med Chem, Volume 105, 2015";ChEMBL
MM472534;MM472534;CCN(CC)C(=O)SCc1ccc(Cl)cc1;;257.79;4.04;;;;CHEMBL388559;GENER;EPAM;25;0;"<a href=https://www.ebi.ac.uk/chembl/assay_report_card/CHEMBL3066824/  target=_blank>CHEMBL3066824</a>";;;;;;;;;-4.69;;;;;;;;;;;;"Akamatsu M.: Importance of physicochemical properties for the design of new pesticides. J Agric Food Chem, Volume 59 (7), 2011";ChEMBL
MM472531;MM472531;CCOP(=S)(OCC)Oc1cc(C)nc(C(C)C)n1;;304.35;3.58;;;;CHEMBL388560;GENER;EPAM;25;0;"<a href=https://www.ebi.ac.uk/chembl/assay_report_card/CHEMBL905612/  target=_blank>CHEMBL905612</a>";;;;;;;;;-5.28;;;;;;;;;;;;"Fujikawa M, Nakao K, Shimizu R, Akamatsu M.: QSAR study on permeability of hydrophobic compounds with artificial membranes. Bioorg Med Chem, Volume 15 (11), 3756-3767, 2007";ChEMBL
MM473533;MM473533;O=C1Nc2ccccc2C1=NN1CCOCC1;DWSQRZQONHIFPI-UHFFFAOYSA-N;231.26;0.68;;;;;BBB;EPAM;25;0;"<a href=https://www.ebi.ac.uk/chembl/assay_report_card/CHEMBL4192183/  target=_blank>CHEMBL4192183</a>";;;;;;;;;-5.24;;;;;;;;;;;;"Salado IG, Zaldivar-Diez J, Sebastián-Pérez V, Li L, Geiger L, González S, Campillo NE, Gil C, Morales AV, Perez DI, Martinez A.: Leucine rich repeat kinase 2 (LRRK2) inhibitors based on indolinone scaffold: Potential pro-neurogenic agents. Eur J Med Chem, Volume 138, 2017";ChEMBL
MM472531;MM472531;CCOP(=S)(OCC)Oc1cc(C)nc(C(C)C)n1;;304.35;3.58;;;;CHEMBL388560;GENER;EPAM;25;0;"<a href=https://www.ebi.ac.uk/chembl/assay_report_card/CHEMBL3066824/  target=_blank>CHEMBL3066824</a>";;;;;;;;;-5.28;;;;;;;;;;;;"Akamatsu M.: Importance of physicochemical properties for the design of new pesticides. J Agric Food Chem, Volume 59 (7), 2011";ChEMBL
MM472117;MM472117;COc1ccc2cc1CCC(=O)Nc1ccc(S(=O)(=O)C3CC3)c(c1)CN(C)C(=O)C2Nc1ccc2c(N)ncc(F)c2c1;;617.7;4.6;86343587;;;CHEMBL3889510;GENER;EPAM;25;0;"ph = 5.5, <a href=https://www.ebi.ac.uk/chembl/assay_report_card/CHEMBL3871154/  target=_blank>CHEMBL3871154</a>";;;;;;;;;-4.46;;;;;;;;;;;;"Richter JM, Cheney DL, Bates JA, Wei A, Luettgen JM, Rendina AR, Harper TM, Narayanan R, Wong PC, Seiffert D, Wexler RR, Priestley ES.: Design and Synthesis of Novel Meta-Linked Phenylglycine Macrocyclic FVIIa Inhibitors. ACS Med Chem Lett, Volume 8 (1), 2017";ChEMBL
MM472117;MM472117;COc1ccc2cc1CCC(=O)Nc1ccc(S(=O)(=O)C3CC3)c(c1)CN(C)C(=O)C2Nc1ccc2c(N)ncc(F)c2c1;;617.7;4.6;86343587;;;CHEMBL3889510;GENER;EPAM;25;0;"ph = 7.4, <a href=https://www.ebi.ac.uk/chembl/assay_report_card/CHEMBL3871152/  target=_blank>CHEMBL3871152</a>";;;;;;;;;-4.27;;;;;;;;;;;;"Richter JM, Cheney DL, Bates JA, Wei A, Luettgen JM, Rendina AR, Harper TM, Narayanan R, Wong PC, Seiffert D, Wexler RR, Priestley ES.: Design and Synthesis of Novel Meta-Linked Phenylglycine Macrocyclic FVIIa Inhibitors. ACS Med Chem Lett, Volume 8 (1), 2017";ChEMBL
Clonidine;MM00344;Clc1cccc(Cl)c1NC1=NCCN1;GJSURZIOUXUGAL-UHFFFAOYSA-N;230.1;2.17;2803;DB00575;CLU;CHEMBL134;BBB;EPAM;25;0;"<a href=https://www.ebi.ac.uk/chembl/assay_report_card/CHEMBL2415138/  target=_blank>CHEMBL2415138</a>";;;;;;;;;-5.28;;;;;;;;;;;;"Ning X, Guo Y, Ma X, Zhu R, Tian C, Zhang Z, Wang X, Ma Z, Liu J.: Design, synthesis and pharmacological evaluation of (E)-3,4-dihydroxy styryl sulfonamides derivatives as multifunctional neuroprotective agents against oxidative and inflammatory injury. Bioorg Med Chem, Volume 21 (17), 2013";ChEMBL
MM473340;MM473340;O=c1[nH]nc(-c2c(N3CCCCC3)nc3ccc(Cl)cc3c2-c2ccccc2)o1;KKPOBHHCNGNCLR-UHFFFAOYSA-N;406.87;4.89;71556883;;;CHEMBL3889982;GENER;EPAM;25;0;"<a href=https://www.ebi.ac.uk/chembl/assay_report_card/CHEMBL3861360/  target=_blank>CHEMBL3861360</a>";;;;;;;;;-7.22;;;;;;;;;;;;"Kühne H, Obst-Sander U, Kuhn B, Conte A, Ceccarelli SM, Neidhart W, Rudolph MG, Ottaviani G, Gasser R, So SS, Li S, Zhang X, Gao L, Myers M.: Design and synthesis of selective, dual fatty acid binding protein 4 and 5 inhibitors. Bioorg Med Chem Lett, Volume 26 (20), 2016";ChEMBL
Clonidine;MM00344;Clc1cccc(Cl)c1NC1=NCCN1;GJSURZIOUXUGAL-UHFFFAOYSA-N;230.1;2.17;2803;DB00575;CLU;CHEMBL134;BBB;EPAM;25;0;"<a href=https://www.ebi.ac.uk/chembl/assay_report_card/CHEMBL3384483/  target=_blank>CHEMBL3384483</a>";;;;;;;;;-5.42;;;;;;;;;;;;"Lan JS, Xie SS, Li SY, Pan LF, Wang XB, Kong LY.: Design, synthesis and evaluation of novel tacrine-(β-carboline) hybrids as multifunctional agents for the treatment of Alzheimer's disease. Bioorg Med Chem, Volume 22 (21), 2014";ChEMBL
MM474550;MM474550;Cc1cc2ccc1C(C)COC(=O)Nc1ccc(S(=O)(=O)C3CC3)c(c1)CN(C)C(=O)C2Nc1ccc2c(N)nccc2c1;DKEJQQLJGULWDZ-WENCNXQZSA-N;613.74;5.54;118098650;;;CHEMBL3891120;GENER;EPAM;25;0;"<a href=https://www.ebi.ac.uk/chembl/assay_report_card/CHEMBL3854661/  target=_blank>CHEMBL3854661</a>";;;;;;;;;-5.3;;;;;;;;;;;;"Zhang X, Glunz PW, Johnson JA, Jiang W, Jacutin-Porte S, Ladziata V, Zou Y, Phillips MS, Wurtz NR, Parkhurst B, Rendina AR, Harper TM, Cheney DL, Luettgen JM, Wong PC, Seiffert D, Wexler RR, Priestley ES.: Discovery of a Highly Potent, Selective, and Orally Bioavailable Macrocyclic Inhibitor of Blood Coagulation Factor VIIa-Tissue Factor Complex. J Med Chem, Volume 59 (15), 2016";ChEMBL
Clonidine;MM00344;Clc1cccc(Cl)c1NC1=NCCN1;GJSURZIOUXUGAL-UHFFFAOYSA-N;230.1;2.17;2803;DB00575;CLU;CHEMBL134;BBB;EPAM;25;0;"<a href=https://www.ebi.ac.uk/chembl/assay_report_card/CHEMBL3406060/  target=_blank>CHEMBL3406060</a>";;;;;;;;;-5.28;;;;;;;;;;;;"Sang Z, Li Y, Qiang X, Xiao G, Liu Q, Tan Z, Deng Y.: Multifunctional scutellarin-rivastigmine hybrids with cholinergic, antioxidant, biometal chelating and neuroprotective properties for the treatment of Alzheimer's disease. Bioorg Med Chem, Volume 23 (4), 2015";ChEMBL
MM474235;MM474235;CC(C)OC(=O)c1ccc(N2CCN(C)CC2)c(NC(=O)c2ccc(F)c([N+](=O)[O-])c2)c1;DNLIZFPSNXONRN-UHFFFAOYSA-N;444.46;3.3;;;;;GENER;EPAM;25;+1,-1;"<a href=https://www.ebi.ac.uk/chembl/assay_report_card/CHEMBL3859791/  target=_blank>CHEMBL3859791</a>";;;;;;;;;-4.21;;;;;;;;;;;;"Li DD, Wang ZH, Chen WL, Xie YY, You QD, Guo XK.: Structure-based design of ester compounds to inhibit MLL complex catalytic activity by targeting mixed lineage leukemia 1 (MLL1)-WDR5 interaction. Bioorg Med Chem, Volume 24 (22), 2016";ChEMBL
MM471685;MM471685;CC1=C(O)C(=O)C=C2C1=CC=C1C2(C)CCC2(C)C3CC(C)(C(=O)NCCCn4ccnc4)CCC3(C)CCC12C;JUJKMJAXAIXDRM-GTKRWHGSSA-N;557.78;7.02;134137508;;;CHEMBL3894339;GENER;EPAM;25;0;"ph = 7.4, <a href=https://www.ebi.ac.uk/chembl/assay_report_card/CHEMBL3861292/  target=_blank>CHEMBL3861292</a>";;;;;;;;;-6.22;;;;;;;;;;;;"Jiang F, Wang HJ, Bao QC, Wang L, Jin YH, Zhang Q, Jiang D, You QD, Xu XL.: Optimization and biological evaluation of celastrol derivatives as Hsp90-Cdc37 interaction disruptors with improved druglike properties. Bioorg Med Chem, Volume 24 (21), 2016";ChEMBL
Clonidine;MM00344;Clc1cccc(Cl)c1NC1=NCCN1;GJSURZIOUXUGAL-UHFFFAOYSA-N;230.1;2.17;2803;DB00575;CLU;CHEMBL134;BBB;EPAM;25;0;"<a href=https://www.ebi.ac.uk/chembl/assay_report_card/CHEMBL3406061/  target=_blank>CHEMBL3406061</a>";;;;;;;;;-5.29;;;;;;;;;;;;"Sang Z, Li Y, Qiang X, Xiao G, Liu Q, Tan Z, Deng Y.: Multifunctional scutellarin-rivastigmine hybrids with cholinergic, antioxidant, biometal chelating and neuroprotective properties for the treatment of Alzheimer's disease. Bioorg Med Chem, Volume 23 (4), 2015";ChEMBL
MM472087;MM472087;Cc1cc2ccc1C(C)COC(=O)Nc1ccc(C3(C(=O)O)CCOCC3)c(c1)CN(C)C(=O)C2Nc1ccc2c(N)ncc(F)c2c1;;655.73;5.87;134133660;;;CHEMBL3895930;GENER;EPAM;25;0;"ph = 5.5, <a href=https://www.ebi.ac.uk/chembl/assay_report_card/CHEMBL3855502/  target=_blank>CHEMBL3855502</a>";;;;;;;;;-5.59;;;;;;;;;;;;"Ladziata VU, Glunz PW, Zou Y, Zhang X, Jiang W, Jacutin-Porte S, Cheney DL, Wei A, Luettgen JM, Harper TM, Wong PC, Seiffert D, Wexler RR, Priestley ES.: Synthesis and P1' SAR exploration of potent macrocyclic tissue factor-factor VIIa inhibitors. Bioorg Med Chem Lett, Volume 26 (20), 2016";ChEMBL
Clonidine;MM00344;Clc1cccc(Cl)c1NC1=NCCN1;GJSURZIOUXUGAL-UHFFFAOYSA-N;230.1;2.17;2803;DB00575;CLU;CHEMBL134;BBB;EPAM;25;0;"ph = 7.4, <a href=https://www.ebi.ac.uk/chembl/assay_report_card/CHEMBL3767515/  target=_blank>CHEMBL3767515</a>";;;;;;;;;-5.09;;;;;;;;;;;;"Xie SS, Lan JS, Wang X, Wang ZM, Jiang N, Li F, Wu JJ, Wang J, Kong LY.: Design, synthesis and biological evaluation of novel donepezil-coumarin hybrids as multi-target agents for the treatment of Alzheimer's disease. Bioorg Med Chem, Volume 24 (7), 2016";ChEMBL
Clonidine;MM00344;Clc1cccc(Cl)c1NC1=NCCN1;GJSURZIOUXUGAL-UHFFFAOYSA-N;230.1;2.17;2803;DB00575;CLU;CHEMBL134;BBB;EPAM;25;0;"ph = 7.4, <a href=https://www.ebi.ac.uk/chembl/assay_report_card/CHEMBL3767688/  target=_blank>CHEMBL3767688</a>";;;;;;;;;-5.28;;;;;;;;;;;;"Xie SS, Lan JS, Wang X, Wang ZM, Jiang N, Li F, Wu JJ, Wang J, Kong LY.: Design, synthesis and biological evaluation of novel donepezil-coumarin hybrids as multi-target agents for the treatment of Alzheimer's disease. Bioorg Med Chem, Volume 24 (7), 2016";ChEMBL
MM472318;MM472318;CCC(=O)N1CCC(Oc2ncnc3ccc(-c4ccc(OC)nc4)cc23)C1;MFERHFDJHINZES-INIZCTEOSA-N;378.43;3.09;134134126;;;CHEMBL3896413;GENER;EPAM;25;0;"ph = 6.8, <a href=https://www.ebi.ac.uk/chembl/assay_report_card/CHEMBL3868303/  target=_blank>CHEMBL3868303</a>";;;;;;;;;-3.6;;;;;;;;;;;;"Hoegenauer K, Soldermann N, Hebach C, Hollingworth GJ, Lewis I, von Matt A, Smith AB, Wolf RM, Wilcken R, Haasen D, Burkhart C, Zécri F.: Discovery of novel pyrrolidineoxy-substituted heteroaromatics as potent and selective PI3K delta inhibitors with improved physicochemical properties. Bioorg Med Chem Lett, Volume 26 (23), 2016";ChEMBL
MM472090;MM472090;CN1CCC(C)(C2CC(=O)N(CCOc3ccc(F)c(C#N)c3)C2)CC1;BWWTUVDRVAUSCR-UHFFFAOYSA-N;359.45;2.66;134133758;;;CHEMBL3897162;GENER;EPAM;25;0;"ph = 7.4, <a href=https://www.ebi.ac.uk/chembl/assay_report_card/CHEMBL3861799/  target=_blank>CHEMBL3861799</a>";;;;;;;;;-4.68;;;;;;;;;;;;"Woolford AJ, Day PJ, Bénéton V, Berdini V, Coyle JE, Dudit Y, Grondin P, Huet P, Lee LY, Manas ES, McMenamin RL, Murray CW, Page LW, Patel VK, Potvain F, Rich SJ, Sang Y, Somers DO, Trottet L, Wan Z, Zhang X.: Fragment-Based Approach to the Development of an Orally Bioavailable Lactam Inhibitor of Lipoprotein-Associated Phospholipase A2 (Lp-PLA<sub>2</sub>). J Med Chem, Volume 59 (23), 2016";ChEMBL
Clonidine;MM00344;Clc1cccc(Cl)c1NC1=NCCN1;GJSURZIOUXUGAL-UHFFFAOYSA-N;230.1;2.17;2803;DB00575;CLU;CHEMBL134;BBB;EPAM;25;0;"<a href=https://www.ebi.ac.uk/chembl/assay_report_card/CHEMBL3859151/  target=_blank>CHEMBL3859151</a>";;;;;;;;;-5.28;;;;;;;;;;;;"Sola I, Artigas A, Taylor MC, Pérez-Areales FJ, Viayna E, Clos MV, Pérez B, Wright CW, Kelly JM, Muñoz-Torrero D.: Synthesis and biological evaluation of N-cyanoalkyl-, N-aminoalkyl-, and N-guanidinoalkyl-substituted 4-aminoquinoline derivatives as potent, selective, brain permeable antitrypanosomal agents. Bioorg Med Chem, Volume 24 (21), 2016";ChEMBL
MM472474;MM472474;CN1Cc2cc(ccc2S(=O)(=O)C2CC2)NC(=O)CCc2cc(ccc2OCC(F)F)C(Nc2ccc3c(N)ncc(F)c3c2)C1=O;DCIOQBFAYLXHBY-WJOKGBTCSA-N;667.71;5.23;86343959;;;CHEMBL3897886;GENER;EPAM;25;0;"ph = 5.5, <a href=https://www.ebi.ac.uk/chembl/assay_report_card/CHEMBL3871154/  target=_blank>CHEMBL3871154</a>";;;;;;;;;-5.06;;;;;;;;;;;;"Richter JM, Cheney DL, Bates JA, Wei A, Luettgen JM, Rendina AR, Harper TM, Narayanan R, Wong PC, Seiffert D, Wexler RR, Priestley ES.: Design and Synthesis of Novel Meta-Linked Phenylglycine Macrocyclic FVIIa Inhibitors. ACS Med Chem Lett, Volume 8 (1), 2017";ChEMBL
MM472083;MM472083;Cc1cc2ccc1C(C)COC(=O)Nc1ccc(C3(C(=O)O)CC3)c(c1)CN(C)C(=O)C2Nc1ccc2c(N)ncc(F)c2c1;;611.67;5.86;72550813;;;CHEMBL3898371;GENER;EPAM;25;0;"ph = 5.5, <a href=https://www.ebi.ac.uk/chembl/assay_report_card/CHEMBL3855502/  target=_blank>CHEMBL3855502</a>";;;;;;;;;-4.47;;;;;;;;;;;;"Ladziata VU, Glunz PW, Zou Y, Zhang X, Jiang W, Jacutin-Porte S, Cheney DL, Wei A, Luettgen JM, Harper TM, Wong PC, Seiffert D, Wexler RR, Priestley ES.: Synthesis and P1' SAR exploration of potent macrocyclic tissue factor-factor VIIa inhibitors. Bioorg Med Chem Lett, Volume 26 (20), 2016";ChEMBL
MM472083;MM472083;Cc1cc2ccc1C(C)COC(=O)Nc1ccc(C3(C(=O)O)CC3)c(c1)CN(C)C(=O)C2Nc1ccc2c(N)ncc(F)c2c1;;611.67;5.86;72550813;;;CHEMBL3898371;GENER;EPAM;25;0;"ph = 7.4, <a href=https://www.ebi.ac.uk/chembl/assay_report_card/CHEMBL3855503/  target=_blank>CHEMBL3855503</a>";;;;;;;;;-4.93;;;;;;;;;;;;"Ladziata VU, Glunz PW, Zou Y, Zhang X, Jiang W, Jacutin-Porte S, Cheney DL, Wei A, Luettgen JM, Harper TM, Wong PC, Seiffert D, Wexler RR, Priestley ES.: Synthesis and P1' SAR exploration of potent macrocyclic tissue factor-factor VIIa inhibitors. Bioorg Med Chem Lett, Volume 26 (20), 2016";ChEMBL
Clonidine;MM00344;Clc1cccc(Cl)c1NC1=NCCN1;GJSURZIOUXUGAL-UHFFFAOYSA-N;230.1;2.17;2803;DB00575;CLU;CHEMBL134;BBB;EPAM;25;0;"<a href=https://www.ebi.ac.uk/chembl/assay_report_card/CHEMBL3874684/  target=_blank>CHEMBL3874684</a>";;;;;;;;;-5.29;;;;;;;;;;;;"Li Y, Qiang X, Luo L, Yang X, Xiao G, Zheng Y, Cao Z, Sang Z, Su F, Deng Y.: Multitarget drug design strategy against Alzheimer's disease: Homoisoflavonoid Mannich base derivatives serve as acetylcholinesterase and monoamine oxidase B dual inhibitors with multifunctional properties. Bioorg Med Chem, Volume 25 (2), 2017";ChEMBL
MM472084;MM472084;Cc1cc2ccc1C(C)COC(=O)Nc1ccc(C3(C(=O)O)CCC3)c(c1)CN(C)C(=O)C2Nc1ccc2c(N)ncc(F)c2c1;;625.7;6.25;122164611;;;CHEMBL3900166;GENER;EPAM;25;0;"ph = 5.5, <a href=https://www.ebi.ac.uk/chembl/assay_report_card/CHEMBL3855502/  target=_blank>CHEMBL3855502</a>";;;;;;;;;-4.68;;;;;;;;;;;;"Ladziata VU, Glunz PW, Zou Y, Zhang X, Jiang W, Jacutin-Porte S, Cheney DL, Wei A, Luettgen JM, Harper TM, Wong PC, Seiffert D, Wexler RR, Priestley ES.: Synthesis and P1' SAR exploration of potent macrocyclic tissue factor-factor VIIa inhibitors. Bioorg Med Chem Lett, Volume 26 (20), 2016";ChEMBL
Clonidine;MM00344;Clc1cccc(Cl)c1NC1=NCCN1;GJSURZIOUXUGAL-UHFFFAOYSA-N;230.1;2.17;2803;DB00575;CLU;CHEMBL134;BBB;EPAM;25;0;"<a href=https://www.ebi.ac.uk/chembl/assay_report_card/CHEMBL3874685/  target=_blank>CHEMBL3874685</a>";;;;;;;;;-5.28;;;;;;;;;;;;"Li Y, Qiang X, Luo L, Yang X, Xiao G, Zheng Y, Cao Z, Sang Z, Su F, Deng Y.: Multitarget drug design strategy against Alzheimer's disease: Homoisoflavonoid Mannich base derivatives serve as acetylcholinesterase and monoamine oxidase B dual inhibitors with multifunctional properties. Bioorg Med Chem, Volume 25 (2), 2017";ChEMBL
MM472089;MM472089;Cc1c(-c2c(F)cc(C(N)=O)c3[nH]c4c(c23)CCC(C(C)(C)O)C4)cccc1-n1c(=O)c2cccc(F)c2n(C)c1=O;;572.61;4.4;86582336;;;CHEMBL3900554;GENER;EPAM;25;0;"ph = 5.5, <a href=https://www.ebi.ac.uk/chembl/assay_report_card/CHEMBL3858952/  target=_blank>CHEMBL3858952</a>";;;;;;;;;-4.17;;;;;;;;;;;;"Watterson SH, De Lucca GV, Shi Q, Langevine CM, Liu Q, Batt DG, Beaudoin Bertrand M, Gong H, Dai J, Yip S, Li P, Sun D, Wu DR, Wang C, Zhang Y, Traeger SC, Pattoli MA, Skala S, Cheng L, Obermeier MT, Vickery R, Discenza LN, D'Arienzo CJ, Zhang Y, Heimrich E, Gillooly KM, Taylor TL, Pulicicchio C, McIntyre KW, Galella MA, Tebben AJ, Muckelbauer JK, Chang C, Rampulla R, Mathur A, Salter-Cid L, Barrish JC, Carter PH, Fura A, Burke JR, Tino JA.: Discovery of 6-Fluoro-5-(R)-(3-(S)-(8-fluoro-1-methyl-2,4-dioxo-1,2-dihydroquinazolin-3(4H)-yl)-2-methylphenyl)-2-(S)-(2-hydroxypropan-2-yl)-2,3,4,9-tetrahydro-1H-carbazole-8-carboxamide (BMS-986142): A Reversible Inhibitor of Bruton's Tyrosine Kinase (BTK) Conformationally Constrained by Two Locked Atropisomers. J Med Chem, Volume 59 (19), 2016";ChEMBL
Clonidine;MM00344;Clc1cccc(Cl)c1NC1=NCCN1;GJSURZIOUXUGAL-UHFFFAOYSA-N;230.1;2.17;2803;DB00575;CLU;CHEMBL134;BBB;EPAM;25;0;"<a href=https://www.ebi.ac.uk/chembl/assay_report_card/CHEMBL3876767/  target=_blank>CHEMBL3876767</a>";;;;;;;;;-5.26;;;;;;;;;;;;"Xiao G, Li Y, Qiang X, Xu R, Zheng Y, Cao Z, Luo L, Yang X, Sang Z, Su F, Deng Y.: Design, synthesis and biological evaluation of 4'-aminochalcone-rivastigmine hybrids as multifunctional agents for the treatment of Alzheimer's disease. Bioorg Med Chem, Volume 25 (3), 2017";ChEMBL
MM472089;MM472089;Cc1c(-c2c(F)cc(C(N)=O)c3[nH]c4c(c23)CCC(C(C)(C)O)C4)cccc1-n1c(=O)c2cccc(F)c2n(C)c1=O;;572.61;4.4;86582336;;;CHEMBL3900554;GENER;EPAM;25;0;"ph = 7.4, <a href=https://www.ebi.ac.uk/chembl/assay_report_card/CHEMBL3858953/  target=_blank>CHEMBL3858953</a>";;;;;;;;;-4.14;;;;;;;;;;;;"Watterson SH, De Lucca GV, Shi Q, Langevine CM, Liu Q, Batt DG, Beaudoin Bertrand M, Gong H, Dai J, Yip S, Li P, Sun D, Wu DR, Wang C, Zhang Y, Traeger SC, Pattoli MA, Skala S, Cheng L, Obermeier MT, Vickery R, Discenza LN, D'Arienzo CJ, Zhang Y, Heimrich E, Gillooly KM, Taylor TL, Pulicicchio C, McIntyre KW, Galella MA, Tebben AJ, Muckelbauer JK, Chang C, Rampulla R, Mathur A, Salter-Cid L, Barrish JC, Carter PH, Fura A, Burke JR, Tino JA.: Discovery of 6-Fluoro-5-(R)-(3-(S)-(8-fluoro-1-methyl-2,4-dioxo-1,2-dihydroquinazolin-3(4H)-yl)-2-methylphenyl)-2-(S)-(2-hydroxypropan-2-yl)-2,3,4,9-tetrahydro-1H-carbazole-8-carboxamide (BMS-986142): A Reversible Inhibitor of Bruton's Tyrosine Kinase (BTK) Conformationally Constrained by Two Locked Atropisomers. J Med Chem, Volume 59 (19), 2016";ChEMBL
Clonidine;MM00344;Clc1cccc(Cl)c1NC1=NCCN1;GJSURZIOUXUGAL-UHFFFAOYSA-N;230.1;2.17;2803;DB00575;CLU;CHEMBL134;BBB;EPAM;25;0;"<a href=https://www.ebi.ac.uk/chembl/assay_report_card/CHEMBL3994367/  target=_blank>CHEMBL3994367</a>";;;;;;;;;-5.26;;;;;;;;;;;;"Luo L, Li Y, Qiang X, Cao Z, Xu R, Yang X, Xiao G, Song Q, Tan Z, Deng Y.: Multifunctional thioxanthone derivatives with acetylcholinesterase, monoamine oxidases and β-amyloid aggregation inhibitory activities as potential agents against Alzheimer's disease. Bioorg Med Chem, Volume 25 (6), 2017";ChEMBL
Clonidine;MM00344;Clc1cccc(Cl)c1NC1=NCCN1;GJSURZIOUXUGAL-UHFFFAOYSA-N;230.1;2.17;2803;DB00575;CLU;CHEMBL134;BBB;EPAM;25;0;"ph = 7.4, <a href=https://www.ebi.ac.uk/chembl/assay_report_card/CHEMBL3994366/  target=_blank>CHEMBL3994366</a>";;;;;;;;;-5.28;;;;;;;;;;;;"Luo L, Li Y, Qiang X, Cao Z, Xu R, Yang X, Xiao G, Song Q, Tan Z, Deng Y.: Multifunctional thioxanthone derivatives with acetylcholinesterase, monoamine oxidases and β-amyloid aggregation inhibitory activities as potential agents against Alzheimer's disease. Bioorg Med Chem, Volume 25 (6), 2017";ChEMBL
MM474548;MM474548;Cc1cc2ccc1C(C)COC(=O)Nc1ccc(S(=O)(=O)C3CC3)c(c1)CN(C)C(=O)C2Nc1cc2ccnc(N)c2cc1F;RYNFLMWBCAHKMX-WWOZWPLTSA-N;631.73;5.68;118098664;;;CHEMBL3901391;GENER;EPAM;25;0;"<a href=https://www.ebi.ac.uk/chembl/assay_report_card/CHEMBL3854661/  target=_blank>CHEMBL3854661</a>";;;;;;;;;-4.74;;;;;;;;;;;;"Zhang X, Glunz PW, Johnson JA, Jiang W, Jacutin-Porte S, Ladziata V, Zou Y, Phillips MS, Wurtz NR, Parkhurst B, Rendina AR, Harper TM, Cheney DL, Luettgen JM, Wong PC, Seiffert D, Wexler RR, Priestley ES.: Discovery of a Highly Potent, Selective, and Orally Bioavailable Macrocyclic Inhibitor of Blood Coagulation Factor VIIa-Tissue Factor Complex. J Med Chem, Volume 59 (15), 2016";ChEMBL
MM474547;MM474547;Cc1cc2ccc1C(C)COC(=O)Nc1ccc(S(=O)(=O)C3CC3)c(c1)CN(C)C(=O)C2Nc1ccc2c(N)ncc(F)c2c1;ZVYUEFHDJYEETD-WWOZWPLTSA-N;631.73;5.68;72551247;;;CHEMBL3902498;GENER;EPAM;25;0;"<a href=https://www.ebi.ac.uk/chembl/assay_report_card/CHEMBL3854661/  target=_blank>CHEMBL3854661</a>";;;;;;;;;-4.05;;;;;;;;;;;;"Zhang X, Glunz PW, Johnson JA, Jiang W, Jacutin-Porte S, Ladziata V, Zou Y, Phillips MS, Wurtz NR, Parkhurst B, Rendina AR, Harper TM, Cheney DL, Luettgen JM, Wong PC, Seiffert D, Wexler RR, Priestley ES.: Discovery of a Highly Potent, Selective, and Orally Bioavailable Macrocyclic Inhibitor of Blood Coagulation Factor VIIa-Tissue Factor Complex. J Med Chem, Volume 59 (15), 2016";ChEMBL
MM472104;MM472104;COC(=O)Nc1ccc(S(=O)(=O)C(C)C)c(C2CCCN2C(=O)C(Nc2ccc3c(C)c[nH]c(=O)c3c2)c2ccc(OC)c(OC)c2)c1;JSTISVSMTAUNFT-AKGWNBJDSA-N;676.79;5.73;25001819;;;CHEMBL3902535;GENER;EPAM;25;0;"ph = 7.4, <a href=https://www.ebi.ac.uk/chembl/assay_report_card/CHEMBL3865418/  target=_blank>CHEMBL3865418</a>";;;;;;;;;-4.77;;;;;;;;;;;;"Wurtz NR, Parkhurst BL, Jiang W, DeLucca I, Zhang X, Ladziata V, Cheney DL, Bozarth JR, Rendina AR, Wei A, Luettgen JM, Wu Y, Wong PC, Seiffert DA, Wexler RR, Priestley ES.: Discovery of Phenylglycine Lactams as Potent Neutral Factor VIIa Inhibitors. ACS Med Chem Lett, Volume 7 (12), 2016";ChEMBL
MM474234;MM474234;Cc1c(F)ccc(C(=O)Nc2cc(C(=O)OC(C)C)ccc2N2CCN(C)CC2)c1Cl;JUFBKCRECNYVRA-UHFFFAOYSA-N;447.94;4.36;134135702;;;CHEMBL3903051;GENER;EPAM;25;0;"<a href=https://www.ebi.ac.uk/chembl/assay_report_card/CHEMBL3859791/  target=_blank>CHEMBL3859791</a>";;;;;;;;;-4.3;;;;;;;;;;;;"Li DD, Wang ZH, Chen WL, Xie YY, You QD, Guo XK.: Structure-based design of ester compounds to inhibit MLL complex catalytic activity by targeting mixed lineage leukemia 1 (MLL1)-WDR5 interaction. Bioorg Med Chem, Volume 24 (22), 2016";ChEMBL
MM471683;MM471683;CC1=C(O)C(=O)C=C2C1=CC=C1C2(C)CCC2(C)C3CC(C)(C(=O)NCCN4CCOCC4)CCC3(C)CCC12C;AQUSDUJSHMMSQY-GTKRWHGSSA-N;562.8;6.06;134135604;;;CHEMBL3903308;GENER;EPAM;25;0;"ph = 7.4, <a href=https://www.ebi.ac.uk/chembl/assay_report_card/CHEMBL3861292/  target=_blank>CHEMBL3861292</a>";;;;;;;;;-4.94;;;;;;;;;;;;"Jiang F, Wang HJ, Bao QC, Wang L, Jin YH, Zhang Q, Jiang D, You QD, Xu XL.: Optimization and biological evaluation of celastrol derivatives as Hsp90-Cdc37 interaction disruptors with improved druglike properties. Bioorg Med Chem, Volume 24 (21), 2016";ChEMBL
MM474233;MM474233;CN1CCN(c2ccc(C(=O)Oc3ccccc3)cc2NC(=O)c2ccc(F)c([N+](=O)[O-])c2)CC1;UBBBAGFZVYRTEM-UHFFFAOYSA-N;478.48;3.96;;;;;GENER;EPAM;25;+1,-1;"<a href=https://www.ebi.ac.uk/chembl/assay_report_card/CHEMBL3859791/  target=_blank>CHEMBL3859791</a>";;;;;;;;;-4.22;;;;;;;;;;;;"Li DD, Wang ZH, Chen WL, Xie YY, You QD, Guo XK.: Structure-based design of ester compounds to inhibit MLL complex catalytic activity by targeting mixed lineage leukemia 1 (MLL1)-WDR5 interaction. Bioorg Med Chem, Volume 24 (22), 2016";ChEMBL
MM472317;MM472317;CCC(=O)N1CCC(Oc2ccnc3ccc(-c4ccc(OC)nc4)cc23)C1;GKVUBNGBTYQPGF-KRWDZBQOSA-N;377.44;3.7;134134680;;;CHEMBL3905342;GENER;EPAM;25;0;"ph = 6.8, <a href=https://www.ebi.ac.uk/chembl/assay_report_card/CHEMBL3868303/  target=_blank>CHEMBL3868303</a>";;;;;;;;;-3.7;;;;;;;;;;;;"Hoegenauer K, Soldermann N, Hebach C, Hollingworth GJ, Lewis I, von Matt A, Smith AB, Wolf RM, Wilcken R, Haasen D, Burkhart C, Zécri F.: Discovery of novel pyrrolidineoxy-substituted heteroaromatics as potent and selective PI3K delta inhibitors with improved physicochemical properties. Bioorg Med Chem Lett, Volume 26 (23), 2016";ChEMBL
MM472113;MM472113;CC(=O)N(O)C(CS(=O)(=O)c1ccc(-c2cccc(CNC(=O)c3nc4ccccc4c(=O)[nH]3)c2)cc1)C(C)C;YXPTXTBBPCLWPQ-UHFFFAOYSA-N;562.65;3.56;136054475;;;CHEMBL3907007;GENER;EPAM;25;0;"ph = 7.4, <a href=https://www.ebi.ac.uk/chembl/assay_report_card/CHEMBL3868409/  target=_blank>CHEMBL3868409</a>";;;;;;;;;-4.34;;;;;;;;;;;;"Nara H, Sato K, Kaieda A, Oki H, Kuno H, Santou T, Kanzaki N, Terauchi J, Uchikawa O, Kori M.: Design, synthesis, and biological activity of novel, potent, and highly selective fused pyrimidine-2-carboxamide-4-one-based matrix metalloproteinase (MMP)-13 zinc-binding inhibitors. Bioorg Med Chem, Volume 24 (23), 2016";ChEMBL
MM474237;MM474237;COC(=O)c1ccc(N2CCN(C)CC2)c(NC(=O)c2cc(N)c(F)c(C)c2Cl)c1;PLRPRYDOPJNKDZ-UHFFFAOYSA-N;434.9;3.16;132580838;;;CHEMBL3907289;GENER;EPAM;25;0;"<a href=https://www.ebi.ac.uk/chembl/assay_report_card/CHEMBL3859791/  target=_blank>CHEMBL3859791</a>";;;;;;;;;-4.28;;;;;;;;;;;;"Li DD, Wang ZH, Chen WL, Xie YY, You QD, Guo XK.: Structure-based design of ester compounds to inhibit MLL complex catalytic activity by targeting mixed lineage leukemia 1 (MLL1)-WDR5 interaction. Bioorg Med Chem, Volume 24 (22), 2016";ChEMBL
MM474558;MM474558;Cc1cc2ccc1C(C)COC(=O)Nc1cccc(c1)CN(C)C(=O)C2Nc1ccc2c(N)nccc2c1;WGWNPJIMCIPPBO-UZTOHYMASA-N;509.61;5.6;134132204;;;CHEMBL3907376;GENER;EPAM;25;0;"<a href=https://www.ebi.ac.uk/chembl/assay_report_card/CHEMBL3854661/  target=_blank>CHEMBL3854661</a>";;;;;;;;;-5.89;;;;;;;;;;;;"Zhang X, Glunz PW, Johnson JA, Jiang W, Jacutin-Porte S, Ladziata V, Zou Y, Phillips MS, Wurtz NR, Parkhurst B, Rendina AR, Harper TM, Cheney DL, Luettgen JM, Wong PC, Seiffert D, Wexler RR, Priestley ES.: Discovery of a Highly Potent, Selective, and Orally Bioavailable Macrocyclic Inhibitor of Blood Coagulation Factor VIIa-Tissue Factor Complex. J Med Chem, Volume 59 (15), 2016";ChEMBL
Clonidine;MM00344;Clc1cccc(Cl)c1NC1=NCCN1;GJSURZIOUXUGAL-UHFFFAOYSA-N;230.1;2.17;2803;DB00575;CLU;CHEMBL134;BBB;EPAM;25;0;"<a href=https://www.ebi.ac.uk/chembl/assay_report_card/CHEMBL4224295/  target=_blank>CHEMBL4224295</a>";;;;;;;;;-5.28;;;;;;;;;;;;"Yang X, Cai P, Liu Q, Wu J, Yin Y, Wang X, Kong L.: Novel 8-hydroxyquinoline derivatives targeting β-amyloid aggregation, metal chelation and oxidative stress against Alzheimer's disease. Bioorg Med Chem, Volume 26 (12), 2018";ChEMBL
MM474549;MM474549;Cc1cc2ccc1C(C)COC(=O)Nc1ccc(S(=O)(=O)C3CC3)c(c1)CN(C)C(=O)C2Nc1cc(F)c2c(N)nccc2c1;DVTJAXWYFLZLAI-WWOZWPLTSA-N;631.73;5.68;72550584;;;CHEMBL3909009;GENER;EPAM;25;0;"<a href=https://www.ebi.ac.uk/chembl/assay_report_card/CHEMBL3854661/  target=_blank>CHEMBL3854661</a>";;;;;;;;;-4.7;;;;;;;;;;;;"Zhang X, Glunz PW, Johnson JA, Jiang W, Jacutin-Porte S, Ladziata V, Zou Y, Phillips MS, Wurtz NR, Parkhurst B, Rendina AR, Harper TM, Cheney DL, Luettgen JM, Wong PC, Seiffert D, Wexler RR, Priestley ES.: Discovery of a Highly Potent, Selective, and Orally Bioavailable Macrocyclic Inhibitor of Blood Coagulation Factor VIIa-Tissue Factor Complex. J Med Chem, Volume 59 (15), 2016";ChEMBL
MM472311;MM472311;COc1ccc(-c2ccc3ncnc(OC4CCN(C(=O)OC(C)(C)C)C4)c3c2)cc1OC;IBITZDMARMUFQZ-GOSISDBHSA-N;451.52;4.7;134132909;;;CHEMBL3910692;GENER;EPAM;25;0;"ph = 6.8, <a href=https://www.ebi.ac.uk/chembl/assay_report_card/CHEMBL3868303/  target=_blank>CHEMBL3868303</a>";;;;;;;;;-4.4;;;;;;;;;;;;"Hoegenauer K, Soldermann N, Hebach C, Hollingworth GJ, Lewis I, von Matt A, Smith AB, Wolf RM, Wilcken R, Haasen D, Burkhart C, Zécri F.: Discovery of novel pyrrolidineoxy-substituted heteroaromatics as potent and selective PI3K delta inhibitors with improved physicochemical properties. Bioorg Med Chem Lett, Volume 26 (23), 2016";ChEMBL
Clonidine;MM00344;Clc1cccc(Cl)c1NC1=NCCN1;GJSURZIOUXUGAL-UHFFFAOYSA-N;230.1;2.17;2803;DB00575;CLU;CHEMBL134;BBB;EPAM;25;0;"<a href=https://www.ebi.ac.uk/chembl/assay_report_card/CHEMBL4224296/  target=_blank>CHEMBL4224296</a>";;;;;;;;;-5.3;;;;;;;;;;;;"Yang X, Cai P, Liu Q, Wu J, Yin Y, Wang X, Kong L.: Novel 8-hydroxyquinoline derivatives targeting β-amyloid aggregation, metal chelation and oxidative stress against Alzheimer's disease. Bioorg Med Chem, Volume 26 (12), 2018";ChEMBL
Clonidine;MM00344;Clc1cccc(Cl)c1NC1=NCCN1;GJSURZIOUXUGAL-UHFFFAOYSA-N;230.1;2.17;2803;DB00575;CLU;CHEMBL134;BBB;EPAM;25;0;"<a href=https://www.ebi.ac.uk/chembl/assay_report_card/CHEMBL1960718/  target=_blank>CHEMBL1960718</a>";;;;;;;;;-5.2;;;;;;;;;;;;"Tang H, Zhao HT, Zhong SM, Wang ZY, Chen ZF, Liang H.: Novel oxoisoaporphine-based inhibitors of acetyl- and butyrylcholinesterase and acetylcholinesterase-induced beta-amyloid aggregation. Bioorg Med Chem Lett, Volume 22 (6), 2012";ChEMBL
MM472886;MM472886;COc1cc2c(cc1OC)C1CC(N)C(c3cccc(C)c3)CN1CC2;RQVOZSFAHBOBFK-AABGKKOBSA-N;352.48;3.43;44431775;;;CHEMBL391070;GENER;EPAM;25;0;"<a href=https://www.ebi.ac.uk/chembl/assay_report_card/CHEMBL893073/  target=_blank>CHEMBL893073</a>";;;;;;;;;-5.47;;;;;;;;;;;;"Lübbers T, Böhringer M, Gobbi L, Hennig M, Hunziker D, Kuhn B, Löffler B, Mattei P, Narquizian R, Peters JU, Ruff Y, Wessel HP, Wyss P.: 1,3-disubstituted 4-aminopiperidines as useful tools in the optimization of the 2-aminobenzo[a]quinolizine dipeptidyl peptidase IV inhibitors. Bioorg Med Chem Lett, Volume 17 (11), 2007";ChEMBL
Clonidine;MM00344;Clc1cccc(Cl)c1NC1=NCCN1;GJSURZIOUXUGAL-UHFFFAOYSA-N;230.1;2.17;2803;DB00575;CLU;CHEMBL134;BBB;EPAM;25;0;"<a href=https://www.ebi.ac.uk/chembl/assay_report_card/CHEMBL3383778/  target=_blank>CHEMBL3383778</a>";;;;;;;;;-5.19;;;;;;;;;;;;"Sola I, Artigas A, Taylor MC, Gbedema SY, Pérez B, Clos MV, Wright CW, Kelly JM, Muñoz-Torrero D.: Synthesis and antiprotozoal activity of oligomethylene- and  p-phenylene-bis(methylene)-linked bis(+)-huprines. Bioorg Med Chem Lett, Volume 24 (23), 2014";ChEMBL
MM473353;MM473353;CC(Nc1ncnc(N)c1C#N)c1nn2ccc(C#N)c2c(=O)n1-c1ccccc1;QUMWKKVIZAIAHU-LBPRGKRZSA-N;397.4;1.77;70675172;;;CHEMBL3910904;GENER;EPAM;25;0;"<a href=https://www.ebi.ac.uk/chembl/assay_report_card/CHEMBL3875094/  target=_blank>CHEMBL3875094</a>";;;;;;;;;-5.55;;;;;;;;;;;;"Erra M, Taltavull J, Gréco A, Bernal FJ, Caturla JF, Gràcia J, Domínguez M, Sabaté M, Paris S, Soria S, Hernández B, Armengol C, Cabedo J, Bravo M, Calama E, Miralpeix M, Lehner MD.: Discovery of a Potent, Selective, and Orally Available PI3Kδ Inhibitor for the Treatment of Inflammatory Diseases. ACS Med Chem Lett, Volume 8 (1), 2017";ChEMBL
MM474232;MM474232;Cc1c(F)ccc(C(=O)Nc2cc(C(=O)Oc3ccccc3)ccc2N2CCN(C)CC2)c1Cl;FNEAREWNQVQFAL-UHFFFAOYSA-N;481.96;5.01;134143014;;;CHEMBL3913104;GENER;EPAM;25;0;"<a href=https://www.ebi.ac.uk/chembl/assay_report_card/CHEMBL3859791/  target=_blank>CHEMBL3859791</a>";;;;;;;;;-4.32;;;;;;;;;;;;"Li DD, Wang ZH, Chen WL, Xie YY, You QD, Guo XK.: Structure-based design of ester compounds to inhibit MLL complex catalytic activity by targeting mixed lineage leukemia 1 (MLL1)-WDR5 interaction. Bioorg Med Chem, Volume 24 (22), 2016";ChEMBL
Clonidine;MM00344;Clc1cccc(Cl)c1NC1=NCCN1;GJSURZIOUXUGAL-UHFFFAOYSA-N;230.1;2.17;2803;DB00575;CLU;CHEMBL134;BBB;EPAM;25;0;"<a href=https://www.ebi.ac.uk/chembl/assay_report_card/CHEMBL4004497/  target=_blank>CHEMBL4004497</a>";;;;;;;;;-5.29;;;;;;;;;;;;"Qiang X, Li Y, Yang X, Luo L, Xu R, Zheng Y, Cao Z, Tan Z, Deng Y.: DL-3-n-butylphthalide-Edaravone hybrids as novel dual inhibitors of amyloid-β aggregation and monoamine oxidases with high antioxidant potency for Alzheimer's therapy. Bioorg Med Chem Lett, Volume 27 (4), 2017";ChEMBL
MM472313;MM472313;COc1ccc(-c2ccc3ncnc(OC4CCN(C(C)=O)C4)c3c2)cc1OC;XMWNQYUMDITPFO-QGZVFWFLSA-N;393.44;3.31;134142931;;;CHEMBL3914282;GENER;EPAM;25;0;"ph = 6.8, <a href=https://www.ebi.ac.uk/chembl/assay_report_card/CHEMBL3868303/  target=_blank>CHEMBL3868303</a>";;;;;;;;;-3.9;;;;;;;;;;;;"Hoegenauer K, Soldermann N, Hebach C, Hollingworth GJ, Lewis I, von Matt A, Smith AB, Wolf RM, Wilcken R, Haasen D, Burkhart C, Zécri F.: Discovery of novel pyrrolidineoxy-substituted heteroaromatics as potent and selective PI3K delta inhibitors with improved physicochemical properties. Bioorg Med Chem Lett, Volume 26 (23), 2016";ChEMBL
MM473708;MM473708;CCNC(=O)c1cc2c(-c3cc(S(C)(=O)=O)ccc3Oc3ccc(F)cc3F)cn(C)c(=O)c2[nH]1;GLPRVXBSUHOVMP-UHFFFAOYSA-N;501.51;3.76;;;;;GENER;EPAM;25;0;"<a href=https://www.ebi.ac.uk/chembl/assay_report_card/CHEMBL4346341/  target=_blank>CHEMBL4346341</a>";;;;;;;;;-4.97;;;;;;;;;;;;"Sheppard GS, Wang L, Fidanze SD, Hasvold LA, Liu D, Pratt JK, Park CH, Longenecker K, Qiu W, Torrent M, Kovar PJ, Bui M, Faivre E, Huang X, Lin X, Wilcox D, Zhang L, Shen Y, Albert DH, Magoc TJ, Rajaraman G, Kati WM, McDaniel KF.: Discovery of <i>N</i>-Ethyl-4-[2-(4-fluoro-2,6-dimethyl-phenoxy)-5-(1-hydroxy-1-methyl-ethyl)phenyl]-6-methyl-7-oxo-1<i>H</i>-pyrrolo[2,3-<i>c</i>]pyridine-2-carboxamide (ABBV-744), a BET Bromodomain Inhibitor with Selectivity for the Second Bromodomain. J Med Chem, Volume 63 (10), 2020";ChEMBL
Clonidine;MM00344;Clc1cccc(Cl)c1NC1=NCCN1;GJSURZIOUXUGAL-UHFFFAOYSA-N;230.1;2.17;2803;DB00575;CLU;CHEMBL134;BBB;EPAM;25;0;"<a href=https://www.ebi.ac.uk/chembl/assay_report_card/CHEMBL4048115/  target=_blank>CHEMBL4048115</a>";;;;;;;;;-5.29;;;;;;;;;;;;"Sang Z, Wang K, Wang H, Wang H, Ma Q, Han X, Ye M, Yu L, Liu W.: Design, synthesis and biological evaluation of 2-acetyl-5-O-(amino-alkyl)phenol derivatives as multifunctional agents for the treatment of Alzheimer's disease. Bioorg Med Chem Lett, Volume 27 (22), 2017";ChEMBL
MM471681;MM471681;CC1=C(O)C(=O)C=C2C1=CC=C1C2(C)CCC2(C)C3CC(C)(C(=O)NCCN4CCCC4)CCC3(C)CCC12C;FYSKEGGIPNCCDV-GTKRWHGSSA-N;546.8;6.83;134143251;;;CHEMBL3916152;GENER;EPAM;25;0;"ph = 7.4, <a href=https://www.ebi.ac.uk/chembl/assay_report_card/CHEMBL3861292/  target=_blank>CHEMBL3861292</a>";;;;;;;;;-4.64;;;;;;;;;;;;"Jiang F, Wang HJ, Bao QC, Wang L, Jin YH, Zhang Q, Jiang D, You QD, Xu XL.: Optimization and biological evaluation of celastrol derivatives as Hsp90-Cdc37 interaction disruptors with improved druglike properties. Bioorg Med Chem, Volume 24 (21), 2016";ChEMBL
MM471794;MM471794;CSc1nc(NCc2ccccc2F)c2cnn(CC(Cl)c3ccccc3)c2n1;VFCMZLUYFAKLPR-UHFFFAOYSA-N;427.94;5.28;;;;;GENER;EPAM;25;0;"ph = 7.4, <a href=https://www.ebi.ac.uk/chembl/assay_report_card/CHEMBL1056608/  target=_blank>CHEMBL1056608</a>";;;;;;;;;-5.6;;;;;;;;;;;;"Dreassi E, Zizzari AT, Falchi F, Schenone S, Santucci A, Maga G, Botta M.: Determination of permeability and lipophilicity of pyrazolo-pyrimidine tyrosine kinase inhibitors and correlation with biological data. Eur J Med Chem, Volume 44 (9), 2009";ChEMBL
MM472889;MM472889;COc1cc(Nc2c(C#N)cnc3cc(C#CCCN4CCN(C)CC4)c(OC)cc23)c(Cl)cc1Cl;ZJDFSJYCAFMEGH-UHFFFAOYSA-N;524.45;5.16;11656591;;;CHEMBL391738;GENER;EPAM;25;0;"<a href=https://www.ebi.ac.uk/chembl/assay_report_card/CHEMBL885867/  target=_blank>CHEMBL885867</a>";;;;;;;;;-5.17;;;;;;;;;;;;"Boschelli DH, Barrios Sosa AC, Golas JM, Boschelli F.: Inhibition of Src kinase activity by 7-ethynyl-4-phenylamino-3-quinolinecarbonitriles: identification of SKS-927. Bioorg Med Chem Lett, Volume 17 (5), 2007";ChEMBL
MM474596;MM474596;N#CC1(NC(=O)C2Cc3ccc(c(Cl)c3)OCCCCOc3cc(C(F)(F)F)ccc3C(=O)N2)CC1;XAPRSGPLBWSEHV-IBGZPJMESA-N;521.92;4.42;71656574;;;CHEMBL3917415;GENER;EPAM;25;0;"<a href=https://www.ebi.ac.uk/chembl/assay_report_card/CHEMBL4049060/  target=_blank>CHEMBL4049060</a>";;;;;;;;;-6.4;;;;;;;;;;;;"Giroud M, Dietzel U, Anselm L, Banner D, Kuglstatter A, Benz J, Blanc JB, Gaufreteau D, Liu H, Lin X, Stich A, Kuhn B, Schuler F, Kaiser M, Brun R, Schirmeister T, Kisker C, Diederich F, Haap W.: Repurposing a Library of Human Cathepsin L Ligands: Identification of Macrocyclic Lactams as Potent Rhodesain and Trypanosoma brucei Inhibitors. J Med Chem, Volume 61 (8), 2018";ChEMBL
MM474554;MM474554;CCN(CC)C(=O)c1ccc2cc1CN(C)C(=O)C(Nc1ccc3c(N)nccc3c1)c1ccc(c(C)c1)C(C)COC(=O)N2;KHVYVAAEFVFJSL-WKRVVKTRSA-N;608.74;6.08;72550811;;;CHEMBL3917434;GENER;EPAM;25;0;"<a href=https://www.ebi.ac.uk/chembl/assay_report_card/CHEMBL3854661/  target=_blank>CHEMBL3854661</a>";;;;;;;;;-5.48;;;;;;;;;;;;"Zhang X, Glunz PW, Johnson JA, Jiang W, Jacutin-Porte S, Ladziata V, Zou Y, Phillips MS, Wurtz NR, Parkhurst B, Rendina AR, Harper TM, Cheney DL, Luettgen JM, Wong PC, Seiffert D, Wexler RR, Priestley ES.: Discovery of a Highly Potent, Selective, and Orally Bioavailable Macrocyclic Inhibitor of Blood Coagulation Factor VIIa-Tissue Factor Complex. J Med Chem, Volume 59 (15), 2016";ChEMBL
Clonidine;MM00344;Clc1cccc(Cl)c1NC1=NCCN1;GJSURZIOUXUGAL-UHFFFAOYSA-N;230.1;2.17;2803;DB00575;CLU;CHEMBL134;BBB;EPAM;25;0;"<a href=https://www.ebi.ac.uk/chembl/assay_report_card/CHEMBL1833719/  target=_blank>CHEMBL1833719</a>";;;;;;;;;-5.2;;;;;;;;;;;;"Tang H, Zhao LZ, Zhao HT, Huang SL, Zhong SM, Qin JK, Chen ZF, Huang ZS, Liang H.: Hybrids of oxoisoaporphine-tacrine congeners: novel acetylcholinesterase and acetylcholinesterase-induced β-amyloid aggregation inhibitors. Eur J Med Chem, Volume 46 (10), 2011";ChEMBL
MM472118;MM472118;COc1cc2cc(c1)C(Nc1ccc3c(N)ncc(F)c3c1)C(=O)N(C)Cc1cc(ccc1S(=O)(=O)C1CC1)NC(=O)CC2;;617.7;4.6;86343783;;;CHEMBL3917539;GENER;EPAM;25;0;"ph = 5.5, <a href=https://www.ebi.ac.uk/chembl/assay_report_card/CHEMBL3871154/  target=_blank>CHEMBL3871154</a>";;;;;;;;;-5.82;;;;;;;;;;;;"Richter JM, Cheney DL, Bates JA, Wei A, Luettgen JM, Rendina AR, Harper TM, Narayanan R, Wong PC, Seiffert D, Wexler RR, Priestley ES.: Design and Synthesis of Novel Meta-Linked Phenylglycine Macrocyclic FVIIa Inhibitors. ACS Med Chem Lett, Volume 8 (1), 2017";ChEMBL
MM472118;MM472118;COc1cc2cc(c1)C(Nc1ccc3c(N)ncc(F)c3c1)C(=O)N(C)Cc1cc(ccc1S(=O)(=O)C1CC1)NC(=O)CC2;;617.7;4.6;86343783;;;CHEMBL3917539;GENER;EPAM;25;0;"ph = 7.4, <a href=https://www.ebi.ac.uk/chembl/assay_report_card/CHEMBL3871152/  target=_blank>CHEMBL3871152</a>";;;;;;;;;-4.54;;;;;;;;;;;;"Richter JM, Cheney DL, Bates JA, Wei A, Luettgen JM, Rendina AR, Harper TM, Narayanan R, Wong PC, Seiffert D, Wexler RR, Priestley ES.: Design and Synthesis of Novel Meta-Linked Phenylglycine Macrocyclic FVIIa Inhibitors. ACS Med Chem Lett, Volume 8 (1), 2017";ChEMBL
Clonidine;MM00344;Clc1cccc(Cl)c1NC1=NCCN1;GJSURZIOUXUGAL-UHFFFAOYSA-N;230.1;2.17;2803;DB00575;CLU;CHEMBL134;BBB;EPAM;25;0;"<a href=https://www.ebi.ac.uk/chembl/assay_report_card/CHEMBL3364959/  target=_blank>CHEMBL3364959</a>";;;;;;;;;-5.19;;;;;;;;;;;;"Di Pietro O, Pérez-Areales FJ, Juárez-Jiménez J, Espargaró A, Clos MV, Pérez B, Lavilla R, Sabaté R, Luque FJ, Muñoz-Torrero D.: Tetrahydrobenzo[h][1,6]naphthyridine-6-chlorotacrine hybrids as a new family of anti-Alzheimer agents targeting β-amyloid, tau, and cholinesterase pathologies. Eur J Med Chem, Volume 84, 2014";ChEMBL
MM471476;MM471476;CCCCCCc1ccc(NC(=O)CCC(=O)O)cc1;SRDCUULDAZDTJU-UHFFFAOYSA-N;277.36;3.61;23635854;;;CHEMBL391785;GENER;EPAM;25;0;"ph = 7.4, <a href=https://www.ebi.ac.uk/chembl/assay_report_card/CHEMBL900775/  target=_blank>CHEMBL900775</a>";;;;;;;;;-4.32;;;;;;;;;;;;"Arnold LA, Kosinski A, Estébanez-Perpiñá E, Fletterick RJ, Guy RK.: Inhibitors of the interaction of a thyroid hormone receptor and coactivators: preliminary structure-activity relationships. J Med Chem, Volume 50 (22), 2007";ChEMBL
MM472094;MM472094;COC(=O)Nc1ccc(S(=O)(=O)C(C)C)c(C2CCCN2C(=O)C(Nc2ccc3c(N)nccc3c2)c2ccc(OC)c(OC)c2)c1;JAXUEOKMIODUOS-JTSJOTPCSA-N;661.78;5.71;134140132;;;CHEMBL3919296;GENER;EPAM;25;0;"ph = 7.4, <a href=https://www.ebi.ac.uk/chembl/assay_report_card/CHEMBL3865418/  target=_blank>CHEMBL3865418</a>";;;;;;;;;-6.7;;;;;;;;;;;;"Wurtz NR, Parkhurst BL, Jiang W, DeLucca I, Zhang X, Ladziata V, Cheney DL, Bozarth JR, Rendina AR, Wei A, Luettgen JM, Wu Y, Wong PC, Seiffert DA, Wexler RR, Priestley ES.: Discovery of Phenylglycine Lactams as Potent Neutral Factor VIIa Inhibitors. ACS Med Chem Lett, Volume 7 (12), 2016";ChEMBL
Clonidine;MM00344;Clc1cccc(Cl)c1NC1=NCCN1;GJSURZIOUXUGAL-UHFFFAOYSA-N;230.1;2.17;2803;DB00575;CLU;CHEMBL134;BBB;EPAM;25;0;"<a href=https://www.ebi.ac.uk/chembl/assay_report_card/CHEMBL3412995/  target=_blank>CHEMBL3412995</a>";;;;;;;;;-5.24;;;;;;;;;;;;"Xie SS, Lan JS, Wang XB, Jiang N, Dong G, Li ZR, Wang KD, Guo PP, Kong LY.: Multifunctional tacrine-trolox hybrids for the treatment of Alzheimer's disease with cholinergic, antioxidant, neuroprotective and hepatoprotective properties. Eur J Med Chem, Volume 93, 2015";ChEMBL
MM472319;MM472319;COc1ccc(-c2ccc3ncnc(OC4CCN(C)C4)c3c2)cc1OC;JBCVLFFNJOTCGR-INIZCTEOSA-N;365.43;3.4;134140420;;;CHEMBL3921081;GENER;EPAM;25;0;"ph = 6.8, <a href=https://www.ebi.ac.uk/chembl/assay_report_card/CHEMBL3868303/  target=_blank>CHEMBL3868303</a>";;;;;;;;;-3.5;;;;;;;;;;;;"Hoegenauer K, Soldermann N, Hebach C, Hollingworth GJ, Lewis I, von Matt A, Smith AB, Wolf RM, Wilcken R, Haasen D, Burkhart C, Zécri F.: Discovery of novel pyrrolidineoxy-substituted heteroaromatics as potent and selective PI3K delta inhibitors with improved physicochemical properties. Bioorg Med Chem Lett, Volume 26 (23), 2016";ChEMBL
Clonidine;MM00344;Clc1cccc(Cl)c1NC1=NCCN1;GJSURZIOUXUGAL-UHFFFAOYSA-N;230.1;2.17;2803;DB00575;CLU;CHEMBL134;BBB;EPAM;25;0;"<a href=https://www.ebi.ac.uk/chembl/assay_report_card/CHEMBL3418564/  target=_blank>CHEMBL3418564</a>";;;;;;;;;-5.28;;;;;;;;;;;;"Xie SS, Wang X, Jiang N, Yu W, Wang KD, Lan JS, Li ZR, Kong LY.: Multi-target tacrine-coumarin hybrids: cholinesterase and monoamine oxidase B inhibition properties against Alzheimer's disease. Eur J Med Chem, Volume 95, 2015";ChEMBL
MM472096;MM472096;CNC(=O)c1cccc(NC(C(=O)N2CCCC2c2cc(NC(=O)OC)ccc2S(=O)(=O)C(C)C)c2ccc(OC)c(OC)c2)c1;FVBPDJDCDXVVLW-PDDLMNHVSA-N;652.77;4.94;134139611;;;CHEMBL3921548;GENER;EPAM;25;0;"ph = 7.4, <a href=https://www.ebi.ac.uk/chembl/assay_report_card/CHEMBL3865418/  target=_blank>CHEMBL3865418</a>";;;;;;;;;-5;;;;;;;;;;;;"Wurtz NR, Parkhurst BL, Jiang W, DeLucca I, Zhang X, Ladziata V, Cheney DL, Bozarth JR, Rendina AR, Wei A, Luettgen JM, Wu Y, Wong PC, Seiffert DA, Wexler RR, Priestley ES.: Discovery of Phenylglycine Lactams as Potent Neutral Factor VIIa Inhibitors. ACS Med Chem Lett, Volume 7 (12), 2016";ChEMBL
Clonidine;MM00344;Clc1cccc(Cl)c1NC1=NCCN1;GJSURZIOUXUGAL-UHFFFAOYSA-N;230.1;2.17;2803;DB00575;CLU;CHEMBL134;BBB;EPAM;25;0;"<a href=https://www.ebi.ac.uk/chembl/assay_report_card/CHEMBL3744986/  target=_blank>CHEMBL3744986</a>";;;;;;;;;-5.28;;;;;;;;;;;;"Wang YY, Gao YX, Gao W, Xu Y, Xu YZ, Wang YJ, Chang S, Yu LG, Zhang LY, Liao H, Yang LF, Pang T, Qiu WW.: Design, synthesis and biological evaluation of tricyclic diterpene derivatives as novel neuroprotective agents against ischemic brain injury. Eur J Med Chem, Volume 103, 2015";ChEMBL
MM474236;MM474236;CCOC(=O)c1ccc(N2CCN(C)CC2)c(NC(=O)c2ccc(F)c(C)c2Cl)c1;SVLKQOVNUKFHLT-UHFFFAOYSA-N;433.91;3.97;134140087;;;CHEMBL3922104;GENER;EPAM;25;0;"<a href=https://www.ebi.ac.uk/chembl/assay_report_card/CHEMBL3859791/  target=_blank>CHEMBL3859791</a>";;;;;;;;;-4.35;;;;;;;;;;;;"Li DD, Wang ZH, Chen WL, Xie YY, You QD, Guo XK.: Structure-based design of ester compounds to inhibit MLL complex catalytic activity by targeting mixed lineage leukemia 1 (MLL1)-WDR5 interaction. Bioorg Med Chem, Volume 24 (22), 2016";ChEMBL
MM472091;MM472091;CC1(C2CC(=O)N(CCOc3ccc(F)c(C#N)c3)C2)CCS(=O)(=O)CC1;SYEMWCXBADSSGE-OAHLLOKOSA-N;394.47;2.14;122707120;;;CHEMBL3922315;GENER;EPAM;25;0;"ph = 7.4, <a href=https://www.ebi.ac.uk/chembl/assay_report_card/CHEMBL3861799/  target=_blank>CHEMBL3861799</a>";;;;;;;;;-5.44;;;;;;;;;;;;"Woolford AJ, Day PJ, Bénéton V, Berdini V, Coyle JE, Dudit Y, Grondin P, Huet P, Lee LY, Manas ES, McMenamin RL, Murray CW, Page LW, Patel VK, Potvain F, Rich SJ, Sang Y, Somers DO, Trottet L, Wan Z, Zhang X.: Fragment-Based Approach to the Development of an Orally Bioavailable Lactam Inhibitor of Lipoprotein-Associated Phospholipase A2 (Lp-PLA<sub>2</sub>). J Med Chem, Volume 59 (23), 2016";ChEMBL
Clonidine;MM00344;Clc1cccc(Cl)c1NC1=NCCN1;GJSURZIOUXUGAL-UHFFFAOYSA-N;230.1;2.17;2803;DB00575;CLU;CHEMBL134;BBB;EPAM;25;0;"<a href=https://www.ebi.ac.uk/chembl/assay_report_card/CHEMBL3743403/  target=_blank>CHEMBL3743403</a>";;;;;;;;;-5.28;;;;;;;;;;;;"Di Pietro O, Vicente-García E, Taylor MC, Berenguer D, Viayna E, Lanzoni A, Sola I, Sayago H, Riera C, Fisa R, Clos MV, Pérez B, Kelly JM, Lavilla R, Muñoz-Torrero D.: Multicomponent reaction-based synthesis and biological evaluation of tricyclic heterofused quinolines with multi-trypanosomatid activity. Eur J Med Chem, Volume 105, 2015";ChEMBL
Clonidine;MM00344;Clc1cccc(Cl)c1NC1=NCCN1;GJSURZIOUXUGAL-UHFFFAOYSA-N;230.1;2.17;2803;DB00575;CLU;CHEMBL134;BBB;EPAM;25;0;"<a href=https://www.ebi.ac.uk/chembl/assay_report_card/CHEMBL3870528/  target=_blank>CHEMBL3870528</a>";;;;;;;;;-5.33;;;;;;;;;;;;"Wang ZM, Cai P, Liu QH, Xu DQ, Yang XL, Wu JJ, Kong LY, Wang XB.: Rational modification of donepezil as multifunctional acetylcholinesterase inhibitors for the treatment of Alzheimer's disease. Eur J Med Chem, Volume 123, 2016";ChEMBL
MM471800;MM471800;CCSc1nc(NCCc2ccccc2)c2cnn(CC(Cl)c3ccccc3)c2n1;GWPZAFFIOBYFPC-UHFFFAOYSA-N;438;5.57;;;;;GENER;EPAM;25;0;"ph = 7.4, <a href=https://www.ebi.ac.uk/chembl/assay_report_card/CHEMBL1056608/  target=_blank>CHEMBL1056608</a>";;;;;;;;;-5.9;;;;;;;;;;;;"Dreassi E, Zizzari AT, Falchi F, Schenone S, Santucci A, Maga G, Botta M.: Determination of permeability and lipophilicity of pyrazolo-pyrimidine tyrosine kinase inhibitors and correlation with biological data. Eur J Med Chem, Volume 44 (9), 2009";ChEMBL
Clonidine;MM00344;Clc1cccc(Cl)c1NC1=NCCN1;GJSURZIOUXUGAL-UHFFFAOYSA-N;230.1;2.17;2803;DB00575;CLU;CHEMBL134;BBB;EPAM;25;0;"<a href=https://www.ebi.ac.uk/chembl/assay_report_card/CHEMBL3870551/  target=_blank>CHEMBL3870551</a>";;;;;;;;;-5.28;;;;;;;;;;;;"Wang ZM, Cai P, Liu QH, Xu DQ, Yang XL, Wu JJ, Kong LY, Wang XB.: Rational modification of donepezil as multifunctional acetylcholinesterase inhibitors for the treatment of Alzheimer's disease. Eur J Med Chem, Volume 123, 2016";ChEMBL
MM472890;MM472890;O=C1CN(c2c(Cl)sc(-c3ccccc3)c2Cl)S(=O)(=O)N1;WAMDTAMGZONJDY-UHFFFAOYSA-N;363.25;2.9;25057476;;;CHEMBL392396;GENER;EPAM;25;0;"<a href=https://www.ebi.ac.uk/chembl/assay_report_card/CHEMBL886820/  target=_blank>CHEMBL886820</a>";;;;;;;;;-5.45;;;;;;;;;;;;"Wan ZK, Follows B, Kirincich S, Wilson D, Binnun E, Xu W, Joseph-McCarthy D, Wu J, Smith M, Zhang YL, Tam M, Erbe D, Tam S, Saiah E, Lee J.: Probing acid replacements of thiophene PTP1B inhibitors. Bioorg Med Chem Lett, Volume 17 (10), 2007";ChEMBL
MM471679;MM471679;CCN(CC)CCNC(=O)C1(C)CCC2(C)CCC3(C)C4=CC=C5C(=CC(=O)C(O)=C5C)C4(C)CCC3(C)C2C1;ZIHPFKVTWNZDPH-GTKRWHGSSA-N;548.81;7.07;134140787;;;CHEMBL3925165;GENER;EPAM;25;0;"ph = 7.4, <a href=https://www.ebi.ac.uk/chembl/assay_report_card/CHEMBL3861292/  target=_blank>CHEMBL3861292</a>";;;;;;;;;-4.27;;;;;;;;;;;;"Jiang F, Wang HJ, Bao QC, Wang L, Jin YH, Zhang Q, Jiang D, You QD, Xu XL.: Optimization and biological evaluation of celastrol derivatives as Hsp90-Cdc37 interaction disruptors with improved druglike properties. Bioorg Med Chem, Volume 24 (21), 2016";ChEMBL
Clonidine;MM00344;Clc1cccc(Cl)c1NC1=NCCN1;GJSURZIOUXUGAL-UHFFFAOYSA-N;230.1;2.17;2803;DB00575;CLU;CHEMBL134;BBB;EPAM;25;0;"<a href=https://www.ebi.ac.uk/chembl/assay_report_card/CHEMBL4003401/  target=_blank>CHEMBL4003401</a>";;;;;;;;;-5.29;;;;;;;;;;;;"Li Y, Qiang X, Luo L, Yang X, Xiao G, Liu Q, Ai J, Tan Z, Deng Y.: Aurone Mannich base derivatives as promising multifunctional agents with acetylcholinesterase inhibition, anti-β-amyloid aggragation and neuroprotective properties for the treatment of Alzheimer's disease. Eur J Med Chem, Volume 126, 2017";ChEMBL
MM472112;MM472112;CCOCCC1(Oc2ccc(-c3cccc(CNC(=O)c4nc5ccccc5c(=O)[nH]4)c3)cc2)C(=O)NC(=O)NC1=O;UGWWPGUNBPZMDD-UHFFFAOYSA-N;569.57;2.43;136054495;;;CHEMBL3926071;GENER;EPAM;25;0;"ph = 7.4, <a href=https://www.ebi.ac.uk/chembl/assay_report_card/CHEMBL3868409/  target=_blank>CHEMBL3868409</a>";;;;;;;;;-5.02;;;;;;;;;;;;"Nara H, Sato K, Kaieda A, Oki H, Kuno H, Santou T, Kanzaki N, Terauchi J, Uchikawa O, Kori M.: Design, synthesis, and biological activity of novel, potent, and highly selective fused pyrimidine-2-carboxamide-4-one-based matrix metalloproteinase (MMP)-13 zinc-binding inhibitors. Bioorg Med Chem, Volume 24 (23), 2016";ChEMBL
Clonidine;MM00344;Clc1cccc(Cl)c1NC1=NCCN1;GJSURZIOUXUGAL-UHFFFAOYSA-N;230.1;2.17;2803;DB00575;CLU;CHEMBL134;BBB;EPAM;25;0;"<a href=https://www.ebi.ac.uk/chembl/assay_report_card/CHEMBL4003402/  target=_blank>CHEMBL4003402</a>";;;;;;;;;-5.28;;;;;;;;;;;;"Li Y, Qiang X, Luo L, Yang X, Xiao G, Liu Q, Ai J, Tan Z, Deng Y.: Aurone Mannich base derivatives as promising multifunctional agents with acetylcholinesterase inhibition, anti-β-amyloid aggragation and neuroprotective properties for the treatment of Alzheimer's disease. Eur J Med Chem, Volume 126, 2017";ChEMBL
MM474556;MM474556;Cc1cc2ccc1C(C)COC(=O)Nc1ccc(C(N)=O)c(c1)CN(C)C(=O)C2Nc1ccc2c(N)nccc2c1;LCAJLWIUDOBMSE-XRHLQHRESA-N;552.64;4.7;134141496;;;CHEMBL3926417;GENER;EPAM;25;0;"<a href=https://www.ebi.ac.uk/chembl/assay_report_card/CHEMBL3854661/  target=_blank>CHEMBL3854661</a>";;;;;;;;;-5.24;;;;;;;;;;;;"Zhang X, Glunz PW, Johnson JA, Jiang W, Jacutin-Porte S, Ladziata V, Zou Y, Phillips MS, Wurtz NR, Parkhurst B, Rendina AR, Harper TM, Cheney DL, Luettgen JM, Wong PC, Seiffert D, Wexler RR, Priestley ES.: Discovery of a Highly Potent, Selective, and Orally Bioavailable Macrocyclic Inhibitor of Blood Coagulation Factor VIIa-Tissue Factor Complex. J Med Chem, Volume 59 (15), 2016";ChEMBL
MM472110;MM472110;COC(=O)Nc1ccc(S(=O)(=O)C(C)C)c(C2CCCN2C(=O)C(Nc2ccc3c(c2F)C(=O)NC3)c2ccc(OC)c(OC)c2)c1;LDFNHHRVRPDDMT-AYWVHJORSA-N;668.74;4.96;134141032;;;CHEMBL3928051;GENER;EPAM;25;0;"ph = 7.4, <a href=https://www.ebi.ac.uk/chembl/assay_report_card/CHEMBL3865418/  target=_blank>CHEMBL3865418</a>";;;;;;;;;-4.8;;;;;;;;;;;;"Wurtz NR, Parkhurst BL, Jiang W, DeLucca I, Zhang X, Ladziata V, Cheney DL, Bozarth JR, Rendina AR, Wei A, Luettgen JM, Wu Y, Wong PC, Seiffert DA, Wexler RR, Priestley ES.: Discovery of Phenylglycine Lactams as Potent Neutral Factor VIIa Inhibitors. ACS Med Chem Lett, Volume 7 (12), 2016";ChEMBL
MM472309;MM472309;COc1ccc(-c2ccc3ncnc(O[C@H]4CCN(C(=O)OC(C)(C)C)C4)c3c2)cc1OC;IBITZDMARMUFQZ-SFHVURJKSA-N;451.52;4.7;;;;;GENER;EPAM;25;0;"ph = 6.8, <a href=https://www.ebi.ac.uk/chembl/assay_report_card/CHEMBL3868303/  target=_blank>CHEMBL3868303</a>";;;;;;;;;-4.8;;;;;;;;;;;;"Hoegenauer K, Soldermann N, Hebach C, Hollingworth GJ, Lewis I, von Matt A, Smith AB, Wolf RM, Wilcken R, Haasen D, Burkhart C, Zécri F.: Discovery of novel pyrrolidineoxy-substituted heteroaromatics as potent and selective PI3K delta inhibitors with improved physicochemical properties. Bioorg Med Chem Lett, Volume 26 (23), 2016";ChEMBL
MM472098;MM472098;COC(=O)Nc1ccc(S(=O)(=O)C(C)C)c(C2CCCN2C(=O)C(Nc2ccc3nc[nH]c(=O)c3c2)c2ccc(OC)c(OC)c2)c1;MKSPPMKQQXZJQN-PDDLMNHVSA-N;663.75;4.82;135910203;;;CHEMBL3930498;GENER;EPAM;25;0;"ph = 7.4, <a href=https://www.ebi.ac.uk/chembl/assay_report_card/CHEMBL3865418/  target=_blank>CHEMBL3865418</a>";;;;;;;;;-6.22;;;;;;;;;;;;"Wurtz NR, Parkhurst BL, Jiang W, DeLucca I, Zhang X, Ladziata V, Cheney DL, Bozarth JR, Rendina AR, Wei A, Luettgen JM, Wu Y, Wong PC, Seiffert DA, Wexler RR, Priestley ES.: Discovery of Phenylglycine Lactams as Potent Neutral Factor VIIa Inhibitors. ACS Med Chem Lett, Volume 7 (12), 2016";ChEMBL
Clonidine;MM00344;Clc1cccc(Cl)c1NC1=NCCN1;GJSURZIOUXUGAL-UHFFFAOYSA-N;230.1;2.17;2803;DB00575;CLU;CHEMBL134;BBB;EPAM;25;0;"<a href=https://www.ebi.ac.uk/chembl/assay_report_card/CHEMBL4119593/  target=_blank>CHEMBL4119593</a>";;;;;;;;;-5.23;;;;;;;;;;;;"Yan G, Hao L, Niu Y, Huang W, Wang W, Xu F, Liang L, Wang C, Jin H, Xu P.: 2-Substituted-thio-N-(4-substituted-thiazol/1H-imidazol-2-yl)acetamides as BACE1 inhibitors: Synthesis, biological evaluation and docking studies. Eur J Med Chem, Volume 137, 2017";ChEMBL
MM474555;MM474555;Cc1cc2ccc1C(C)COC(=O)Nc1ccc(C(=O)N(C)C)c(c1)CN(C)C(=O)C2Nc1ccc2c(N)nccc2c1;RAHPBFRSLVDBER-AFJIDDCJSA-N;580.69;5.3;72550138;;;CHEMBL3930523;GENER;EPAM;25;0;"<a href=https://www.ebi.ac.uk/chembl/assay_report_card/CHEMBL3854661/  target=_blank>CHEMBL3854661</a>";;;;;;;;;-5.72;;;;;;;;;;;;"Zhang X, Glunz PW, Johnson JA, Jiang W, Jacutin-Porte S, Ladziata V, Zou Y, Phillips MS, Wurtz NR, Parkhurst B, Rendina AR, Harper TM, Cheney DL, Luettgen JM, Wong PC, Seiffert D, Wexler RR, Priestley ES.: Discovery of a Highly Potent, Selective, and Orally Bioavailable Macrocyclic Inhibitor of Blood Coagulation Factor VIIa-Tissue Factor Complex. J Med Chem, Volume 59 (15), 2016";ChEMBL
Clonidine;MM00344;Clc1cccc(Cl)c1NC1=NCCN1;GJSURZIOUXUGAL-UHFFFAOYSA-N;230.1;2.17;2803;DB00575;CLU;CHEMBL134;BBB;EPAM;25;0;"<a href=https://www.ebi.ac.uk/chembl/assay_report_card/CHEMBL4192765/  target=_blank>CHEMBL4192765</a>";;;;;;;;;-5.32;;;;;;;;;;;;"Yang HL, Cai P, Liu QH, Yang XL, Li F, Wang J, Wu JJ, Wang XB, Kong LY.: Design, synthesis and evaluation of coumarin-pargyline hybrids as novel dual inhibitors of monoamine oxidases and amyloid-β aggregation for the treatment of Alzheimer's disease. Eur J Med Chem, Volume 138, 2017";ChEMBL
MM473501;MM473501;CC1(C)Cc2c(c(C(=O)Nc3ccc(C(F)(F)F)cc3)cc3[nH]c(Nc4c(F)cccc4Cl)nc23)O1;SMUHRFNGPGEYHA-UHFFFAOYSA-N;518.9;7.08;67502417;;;CHEMBL3931344;GENER;EPAM;25;0;"<a href=https://www.ebi.ac.uk/chembl/assay_report_card/CHEMBL4181317/  target=_blank>CHEMBL4181317</a>";;;;;;;;;-6.89;;;;;;;;;;;;"Muthukaman N, Tambe M, Deshmukh S, Pisal D, Tondlekar S, Shaikh M, Sarode N, Kattige VG, Pisat M, Sawant P, Honnegowda S, Karande V, Kulkarni A, Behera D, Jadhav SB, Sangana RR, Gudi GS, Khairatkar-Joshi N, Gharat LA.: Discovery of furan and dihydrofuran-fused tricyclic benzo[d]imidazole derivatives as potent and orally efficacious microsomal prostaglandin E synthase-1 (mPGES-1) inhibitors: Part-1. Bioorg Med Chem Lett, Volume 27 (23), 2017";ChEMBL
MM472116;MM472116;CN1Cc2cc(ccc2S(=O)(=O)C2CC2)NC(=O)CCc2cccc(c2)C(Nc2ccc3c(N)ncc(F)c3c2)C1=O;;587.68;4.59;86343785;;;CHEMBL3933476;GENER;EPAM;25;0;"ph = 5.5, <a href=https://www.ebi.ac.uk/chembl/assay_report_card/CHEMBL3871154/  target=_blank>CHEMBL3871154</a>";;;;;;;;;-5.17;;;;;;;;;;;;"Richter JM, Cheney DL, Bates JA, Wei A, Luettgen JM, Rendina AR, Harper TM, Narayanan R, Wong PC, Seiffert D, Wexler RR, Priestley ES.: Design and Synthesis of Novel Meta-Linked Phenylglycine Macrocyclic FVIIa Inhibitors. ACS Med Chem Lett, Volume 8 (1), 2017";ChEMBL
Clonidine;MM00344;Clc1cccc(Cl)c1NC1=NCCN1;GJSURZIOUXUGAL-UHFFFAOYSA-N;230.1;2.17;2803;DB00575;CLU;CHEMBL134;BBB;EPAM;25;0;"<a href=https://www.ebi.ac.uk/chembl/assay_report_card/CHEMBL4192766/  target=_blank>CHEMBL4192766</a>";;;;;;;;;-5.28;;;;;;;;;;;;"Yang HL, Cai P, Liu QH, Yang XL, Li F, Wang J, Wu JJ, Wang XB, Kong LY.: Design, synthesis and evaluation of coumarin-pargyline hybrids as novel dual inhibitors of monoamine oxidases and amyloid-β aggregation for the treatment of Alzheimer's disease. Eur J Med Chem, Volume 138, 2017";ChEMBL
MM472116;MM472116;CN1Cc2cc(ccc2S(=O)(=O)C2CC2)NC(=O)CCc2cccc(c2)C(Nc2ccc3c(N)ncc(F)c3c2)C1=O;;587.68;4.59;86343785;;;CHEMBL3933476;GENER;EPAM;25;0;"ph = 7.4, <a href=https://www.ebi.ac.uk/chembl/assay_report_card/CHEMBL3871152/  target=_blank>CHEMBL3871152</a>";;;;;;;;;-4.92;;;;;;;;;;;;"Richter JM, Cheney DL, Bates JA, Wei A, Luettgen JM, Rendina AR, Harper TM, Narayanan R, Wong PC, Seiffert D, Wexler RR, Priestley ES.: Design and Synthesis of Novel Meta-Linked Phenylglycine Macrocyclic FVIIa Inhibitors. ACS Med Chem Lett, Volume 8 (1), 2017";ChEMBL
MM473047;MM473047;CCOc1cc(CN2CCC(Nc3nc4ccccc4o3)CC2)ccc1F;NYAIYQKWZFWRCU-UHFFFAOYSA-N;369.44;4.44;24740862;;;CHEMBL393436;GENER;EPAM;25;0;"<a href=https://www.ebi.ac.uk/chembl/assay_report_card/CHEMBL1113042/  target=_blank>CHEMBL1113042</a>";;;;;;;;;-5.36;;;;;;;;;;;;"Martin RE, Mohr P, Maerki HP, Guba W, Kuratli C, Gavelle O, Binggeli A, Bendels S, Alvarez-Sánchez R, Alker A, Polonchuk L, Christ AD.: Benzoxazole piperidines as selective and potent somatostatin receptor subtype 5 antagonists. Bioorg Med Chem Lett, Volume 19 (21), 2009";ChEMBL
MM474557;MM474557;Cc1cc2ccc1[C@@H](C)COC(=O)Nc1ccc(OC(F)(F)F)c(c1)CN(C)C(=O)[C@@H]2Nc1ccc2c(N)nccc2c1;YLICDVIPJRKVDF-XRHLQHRESA-N;593.61;6.5;;;;;GENER;EPAM;25;0;"<a href=https://www.ebi.ac.uk/chembl/assay_report_card/CHEMBL3854661/  target=_blank>CHEMBL3854661</a>";;;;;;;;;-4.64;;;;;;;;;;;;"Zhang X, Glunz PW, Johnson JA, Jiang W, Jacutin-Porte S, Ladziata V, Zou Y, Phillips MS, Wurtz NR, Parkhurst B, Rendina AR, Harper TM, Cheney DL, Luettgen JM, Wong PC, Seiffert D, Wexler RR, Priestley ES.: Discovery of a Highly Potent, Selective, and Orally Bioavailable Macrocyclic Inhibitor of Blood Coagulation Factor VIIa-Tissue Factor Complex. J Med Chem, Volume 59 (15), 2016";ChEMBL
MM472103;MM472103;COC(=O)Nc1ccc(S(=O)(=O)C(C)C)c(C2CCCN2C(=O)C(Nc2ccc3c(Br)c[nH]c(=O)c3c2)c2ccc(OC)c(OC)c2)c1;FUCLSMCPJUEZKS-DLFZDVPBSA-N;741.66;6.19;25001821;;;CHEMBL3935938;GENER;EPAM;25;0;"ph = 7.4, <a href=https://www.ebi.ac.uk/chembl/assay_report_card/CHEMBL3865418/  target=_blank>CHEMBL3865418</a>";;;;;;;;;-4.16;;;;;;;;;;;;"Wurtz NR, Parkhurst BL, Jiang W, DeLucca I, Zhang X, Ladziata V, Cheney DL, Bozarth JR, Rendina AR, Wei A, Luettgen JM, Wu Y, Wong PC, Seiffert DA, Wexler RR, Priestley ES.: Discovery of Phenylglycine Lactams as Potent Neutral Factor VIIa Inhibitors. ACS Med Chem Lett, Volume 7 (12), 2016";ChEMBL
Clonidine;MM00344;Clc1cccc(Cl)c1NC1=NCCN1;GJSURZIOUXUGAL-UHFFFAOYSA-N;230.1;2.17;2803;DB00575;CLU;CHEMBL134;BBB;EPAM;25;0;"<a href=https://www.ebi.ac.uk/chembl/assay_report_card/CHEMBL4147571/  target=_blank>CHEMBL4147571</a>";;;;;;;;;-5.29;;;;;;;;;;;;"Jiang N, Huang Q, Liu J, Liang N, Li Q, Li Q, Xie SS.: Design, synthesis and biological evaluation of new coumarin-dithiocarbamate hybrids as multifunctional agents for the treatment of Alzheimer's disease. Eur J Med Chem, Volume 146, 2018";ChEMBL
MM473044;MM473044;CCOc1cc(CN2CCC(Nc3nc4cc(S(N)(=O)=O)ccc4o3)CC2)ccc1OC;SYNXMLXHBZIEOT-UHFFFAOYSA-N;460.56;2.96;11848677;;;CHEMBL393718;GENER;EPAM;25;0;"<a href=https://www.ebi.ac.uk/chembl/assay_report_card/CHEMBL1113042/  target=_blank>CHEMBL1113042</a>";;;;;;;;;-5.79;;;;;;;;;;;;"Martin RE, Mohr P, Maerki HP, Guba W, Kuratli C, Gavelle O, Binggeli A, Bendels S, Alvarez-Sánchez R, Alker A, Polonchuk L, Christ AD.: Benzoxazole piperidines as selective and potent somatostatin receptor subtype 5 antagonists. Bioorg Med Chem Lett, Volume 19 (21), 2009";ChEMBL
Clonidine;MM00344;Clc1cccc(Cl)c1NC1=NCCN1;GJSURZIOUXUGAL-UHFFFAOYSA-N;230.1;2.17;2803;DB00575;CLU;CHEMBL134;BBB;EPAM;25;0;"<a href=https://www.ebi.ac.uk/chembl/assay_report_card/CHEMBL4147572/  target=_blank>CHEMBL4147572</a>";;;;;;;;;-5.28;;;;;;;;;;;;"Jiang N, Huang Q, Liu J, Liang N, Li Q, Li Q, Xie SS.: Design, synthesis and biological evaluation of new coumarin-dithiocarbamate hybrids as multifunctional agents for the treatment of Alzheimer's disease. Eur J Med Chem, Volume 146, 2018";ChEMBL
MM472108;MM472108;COC(=O)Nc1ccc(S(=O)(=O)C(C)C)c([C@H]2CCCN2C(=O)[C@H](Nc2ccc3c(c2)C(=O)NC[C@@H]3C)c2ccc(OC)c(OC)c2)c1;QSGFPANUKSDPNC-ORPCDBMOSA-N;678.81;5.43;;;;;GENER;EPAM;25;0;"ph = 7.4, <a href=https://www.ebi.ac.uk/chembl/assay_report_card/CHEMBL3865418/  target=_blank>CHEMBL3865418</a>";;;;;;;;;-4.48;;;;;;;;;;;;"Wurtz NR, Parkhurst BL, Jiang W, DeLucca I, Zhang X, Ladziata V, Cheney DL, Bozarth JR, Rendina AR, Wei A, Luettgen JM, Wu Y, Wong PC, Seiffert DA, Wexler RR, Priestley ES.: Discovery of Phenylglycine Lactams as Potent Neutral Factor VIIa Inhibitors. ACS Med Chem Lett, Volume 7 (12), 2016";ChEMBL
MM472314;MM472314;CCC(=O)N1CCC(Oc2cnc3ccc(-c4ccc(OC)c(OC)c4)cc3n2)C1;SOOIWWIBFDIDEP-KRWDZBQOSA-N;407.47;3.7;134148445;;;CHEMBL3939028;GENER;EPAM;25;0;"ph = 6.8, <a href=https://www.ebi.ac.uk/chembl/assay_report_card/CHEMBL3868303/  target=_blank>CHEMBL3868303</a>";;;;;;;;;-3.8;;;;;;;;;;;;"Hoegenauer K, Soldermann N, Hebach C, Hollingworth GJ, Lewis I, von Matt A, Smith AB, Wolf RM, Wilcken R, Haasen D, Burkhart C, Zécri F.: Discovery of novel pyrrolidineoxy-substituted heteroaromatics as potent and selective PI3K delta inhibitors with improved physicochemical properties. Bioorg Med Chem Lett, Volume 26 (23), 2016";ChEMBL
MM472095;MM472095;COC(=O)Nc1ccc(S(=O)(=O)C(C)C)c(C2CCCN2C(=O)C(Nc2ccc3c(c2)C(=O)NCC3)c2ccc(OC)c(OC)c2)c1;XGQHTIIEXCNFSG-DLFZDVPBSA-N;664.78;4.87;24999866;;;CHEMBL3940570;GENER;EPAM;25;0;"ph = 7.4, <a href=https://www.ebi.ac.uk/chembl/assay_report_card/CHEMBL3865418/  target=_blank>CHEMBL3865418</a>";;;;;;;;;-4.8;;;;;;;;;;;;"Wurtz NR, Parkhurst BL, Jiang W, DeLucca I, Zhang X, Ladziata V, Cheney DL, Bozarth JR, Rendina AR, Wei A, Luettgen JM, Wu Y, Wong PC, Seiffert DA, Wexler RR, Priestley ES.: Discovery of Phenylglycine Lactams as Potent Neutral Factor VIIa Inhibitors. ACS Med Chem Lett, Volume 7 (12), 2016";ChEMBL
MM473335;MM473335;O=C(O)c1c(N2CCCCC2)nc2ccc(Cl)cc2c1-c1ccccc1;URBVMCHIBNRDKB-UHFFFAOYSA-N;366.85;5.24;71556223;;;CHEMBL3941588;GENER;EPAM;25;0;"<a href=https://www.ebi.ac.uk/chembl/assay_report_card/CHEMBL3861360/  target=_blank>CHEMBL3861360</a>";;;;;;;;;-5.16;;;;;;;;;;;;"Kühne H, Obst-Sander U, Kuhn B, Conte A, Ceccarelli SM, Neidhart W, Rudolph MG, Ottaviani G, Gasser R, So SS, Li S, Zhang X, Gao L, Myers M.: Design and synthesis of selective, dual fatty acid binding protein 4 and 5 inhibitors. Bioorg Med Chem Lett, Volume 26 (20), 2016";ChEMBL
MM474239;MM474239;COC(=O)c1ccc(N2CCN(C)CC2)c(NC(=O)c2ccc(F)c(C)c2Cl)c1;JFXRDCZYPFPWDU-UHFFFAOYSA-N;419.88;3.58;134145642;;;CHEMBL3942025;GENER;EPAM;25;0;"<a href=https://www.ebi.ac.uk/chembl/assay_report_card/CHEMBL3859791/  target=_blank>CHEMBL3859791</a>";;;;;;;;;-4.22;;;;;;;;;;;;"Li DD, Wang ZH, Chen WL, Xie YY, You QD, Guo XK.: Structure-based design of ester compounds to inhibit MLL complex catalytic activity by targeting mixed lineage leukemia 1 (MLL1)-WDR5 interaction. Bioorg Med Chem, Volume 24 (22), 2016";ChEMBL
MM473138;MM473138;NC(=O)C(CCCN=C(N)N)NC(=O)C(Cc1ccc(-c2ccccc2)cc1)NC(=O)C(N)CCCN=C(N)N;LBWZFNAGWGIVLH-FKBYEOEOSA-N;552.68;-0.8;44439060;;;CHEMBL394210;GENER;EPAM;25;0;"<a href=https://www.ebi.ac.uk/chembl/assay_report_card/CHEMBL1769838/  target=_blank>CHEMBL1769838</a>";;;;;;;;;-8;;;;;;;;;;;;"Flaten GE, Kottra G, Stensen W, Isaksen G, Karstad R, Svendsen JS, Daniel H, Svenson J.: In vitro characterization of human peptide transporter hPEPT1 interactions and passive permeation studies of short cationic antimicrobial peptides. J Med Chem, Volume 54 (7), 2011";ChEMBL
MM472307;MM472307;COc1ccc(-c2ccc3ncnc(-c4cccc(C(=O)N5CCN(C(C)=O)CC5)c4)c3c2)cc1OC;NADSMCCUYCEYHM-UHFFFAOYSA-N;496.57;4.29;134145670;;;CHEMBL3944013;GENER;EPAM;25;0;"ph = 6.8, <a href=https://www.ebi.ac.uk/chembl/assay_report_card/CHEMBL3868303/  target=_blank>CHEMBL3868303</a>";;;;;;;;;-5.3;;;;;;;;;;;;"Hoegenauer K, Soldermann N, Hebach C, Hollingworth GJ, Lewis I, von Matt A, Smith AB, Wolf RM, Wilcken R, Haasen D, Burkhart C, Zécri F.: Discovery of novel pyrrolidineoxy-substituted heteroaromatics as potent and selective PI3K delta inhibitors with improved physicochemical properties. Bioorg Med Chem Lett, Volume 26 (23), 2016";ChEMBL
Clonidine;MM00344;Clc1cccc(Cl)c1NC1=NCCN1;GJSURZIOUXUGAL-UHFFFAOYSA-N;230.1;2.17;2803;DB00575;CLU;CHEMBL134;BBB;EPAM;25;0;"<a href=https://www.ebi.ac.uk/chembl/assay_report_card/CHEMBL3266342/  target=_blank>CHEMBL3266342</a>";;;;;;;;;-5.28;;;;;;;;;;;;"Ning X, Guo Y, Wang X, Ma X, Tian C, Shi X, Zhu R, Cheng C, Du Y, Ma Z, Zhang Z, Liu J.: Design, synthesis, and biological evaluation of (e)-3,4-dihydroxystyryl aralkyl sulfones and sulfoxides as novel multifunctional neuroprotective agents. J Med Chem, Volume 57 (10), 2014";ChEMBL
MM471680;MM471680;CC1=C(O)C(=O)C=C2C1=CC=C1C2(C)CCC2(C)C3CC(C)(C(=O)NCCN(C(C)C)C(C)C)CCC3(C)CCC12C;DFOXDAIWMLZPLA-SUNMMQDUSA-N;576.87;7.85;134145764;;;CHEMBL3944111;GENER;EPAM;25;0;"ph = 7.4, <a href=https://www.ebi.ac.uk/chembl/assay_report_card/CHEMBL3861292/  target=_blank>CHEMBL3861292</a>";;;;;;;;;-4.45;;;;;;;;;;;;"Jiang F, Wang HJ, Bao QC, Wang L, Jin YH, Zhang Q, Jiang D, You QD, Xu XL.: Optimization and biological evaluation of celastrol derivatives as Hsp90-Cdc37 interaction disruptors with improved druglike properties. Bioorg Med Chem, Volume 24 (21), 2016";ChEMBL
Clonidine;MM00344;Clc1cccc(Cl)c1NC1=NCCN1;GJSURZIOUXUGAL-UHFFFAOYSA-N;230.1;2.17;2803;DB00575;CLU;CHEMBL134;BBB;EPAM;25;0;"<a href=https://www.ebi.ac.uk/chembl/assay_report_card/CHEMBL1105051/  target=_blank>CHEMBL1105051</a>";;;;;;;;;-5.02;;;;;;;;;;;;"Arce MP, Rodríguez-Franco MI, González-Muñoz GC, Pérez C, López B, Villarroya M, López MG, García AG, Conde S.: Neuroprotective and cholinergic properties of multifunctional glutamic acid derivatives for the treatment of Alzheimer's disease. J Med Chem, Volume 52 (22), 2009";ChEMBL
MM472105;MM472105;CCc1c[nH]c(=O)c2cc(NC(C(=O)N3CCCC3c3cc(NC(=O)OC)ccc3S(=O)(=O)C(C)C)c3ccc(OC)c(OC)c3)ccc12;DOGQKPSHNITKEI-CYTLCNBWSA-N;690.82;5.99;25002152;;;CHEMBL3944886;GENER;EPAM;25;0;"ph = 7.4, <a href=https://www.ebi.ac.uk/chembl/assay_report_card/CHEMBL3865418/  target=_blank>CHEMBL3865418</a>";;;;;;;;;-4.36;;;;;;;;;;;;"Wurtz NR, Parkhurst BL, Jiang W, DeLucca I, Zhang X, Ladziata V, Cheney DL, Bozarth JR, Rendina AR, Wei A, Luettgen JM, Wu Y, Wong PC, Seiffert DA, Wexler RR, Priestley ES.: Discovery of Phenylglycine Lactams as Potent Neutral Factor VIIa Inhibitors. ACS Med Chem Lett, Volume 7 (12), 2016";ChEMBL
MM472102;MM472102;COC(=O)Nc1ccc(S(=O)(=O)C(C)C)c(C2CCCN2C(=O)C(Nc2ccc3c(Cl)c[nH]c(=O)c3c2)c2ccc(OC)c(OC)c2)c1;FBEAGFCSACTTHE-DLFZDVPBSA-N;697.21;6.08;25001820;;;CHEMBL3946156;GENER;EPAM;25;0;"ph = 7.4, <a href=https://www.ebi.ac.uk/chembl/assay_report_card/CHEMBL3865418/  target=_blank>CHEMBL3865418</a>";;;;;;;;;-4.36;;;;;;;;;;;;"Wurtz NR, Parkhurst BL, Jiang W, DeLucca I, Zhang X, Ladziata V, Cheney DL, Bozarth JR, Rendina AR, Wei A, Luettgen JM, Wu Y, Wong PC, Seiffert DA, Wexler RR, Priestley ES.: Discovery of Phenylglycine Lactams as Potent Neutral Factor VIIa Inhibitors. ACS Med Chem Lett, Volume 7 (12), 2016";ChEMBL
MM472093;MM472093;COC(=O)Nc1ccc(S(=O)(=O)C(C)C)c(C2CCCN2C(=O)C(Nc2cccc(C(N)=O)c2)c2ccc(OC)c(OC)c2)c1;ZGFXBLAVLPKAMU-ABYGYWHVSA-N;638.74;4.68;134147357;;;CHEMBL3947087;GENER;EPAM;25;0;"ph = 7.4, <a href=https://www.ebi.ac.uk/chembl/assay_report_card/CHEMBL3865418/  target=_blank>CHEMBL3865418</a>";;;;;;;;;-5.62;;;;;;;;;;;;"Wurtz NR, Parkhurst BL, Jiang W, DeLucca I, Zhang X, Ladziata V, Cheney DL, Bozarth JR, Rendina AR, Wei A, Luettgen JM, Wu Y, Wong PC, Seiffert DA, Wexler RR, Priestley ES.: Discovery of Phenylglycine Lactams as Potent Neutral Factor VIIa Inhibitors. ACS Med Chem Lett, Volume 7 (12), 2016";ChEMBL
MM473334;MM473334;CC(C)c1nc2ccc(Cl)cc2c(-c2ccccc2)c1C(=O)O;CDYJYWKBTLRTHP-UHFFFAOYSA-N;325.8;5.38;71556166;;;CHEMBL3947458;GENER;EPAM;25;0;"<a href=https://www.ebi.ac.uk/chembl/assay_report_card/CHEMBL3861360/  target=_blank>CHEMBL3861360</a>";;;;;;;;;-5.71;;;;;;;;;;;;"Kühne H, Obst-Sander U, Kuhn B, Conte A, Ceccarelli SM, Neidhart W, Rudolph MG, Ottaviani G, Gasser R, So SS, Li S, Zhang X, Gao L, Myers M.: Design and synthesis of selective, dual fatty acid binding protein 4 and 5 inhibitors. Bioorg Med Chem Lett, Volume 26 (20), 2016";ChEMBL
MM472308;MM472308;COc1ccc(-c2ccc3ncnc(-c4cccc(C(=O)N5CCN(C(C)=O)CC5)c4)c3c2)cn1;;467.53;3.67;71548718;;;CHEMBL3947814;GENER;EPAM;25;0;"ph = 6.8, <a href=https://www.ebi.ac.uk/chembl/assay_report_card/CHEMBL3868303/  target=_blank>CHEMBL3868303</a>";;;;;;;;;-5.1;;;;;;;;;;;;"Hoegenauer K, Soldermann N, Hebach C, Hollingworth GJ, Lewis I, von Matt A, Smith AB, Wolf RM, Wilcken R, Haasen D, Burkhart C, Zécri F.: Discovery of novel pyrrolidineoxy-substituted heteroaromatics as potent and selective PI3K delta inhibitors with improved physicochemical properties. Bioorg Med Chem Lett, Volume 26 (23), 2016";ChEMBL
Estradiol;MM00197;CC12CCC3c4ccc(O)cc4CCC3C1CCC2O;VOXZDWNPVJITMN-UHFFFAOYSA-N;272.39;3.61;5757;DB00783;EST;CHEMBL135;BBB;EPAM;25;0;"<a href=https://www.ebi.ac.uk/chembl/assay_report_card/CHEMBL3384483/  target=_blank>CHEMBL3384483</a>";;;;;;;;;-4.94;;;;;;;;;;;;"Lan JS, Xie SS, Li SY, Pan LF, Wang XB, Kong LY.: Design, synthesis and evaluation of novel tacrine-(β-carboline) hybrids as multifunctional agents for the treatment of Alzheimer's disease. Bioorg Med Chem, Volume 22 (21), 2014";ChEMBL
MM472320;MM472320;COc1ccc(-c2ccc3ncnc(O[C@@H]4CCN(C)C4)c3c2)cc1OC;JBCVLFFNJOTCGR-MRXNPFEDSA-N;365.43;3.4;;;;;GENER;EPAM;25;0;"ph = 6.8, <a href=https://www.ebi.ac.uk/chembl/assay_report_card/CHEMBL3868303/  target=_blank>CHEMBL3868303</a>";;;;;;;;;-3.4;;;;;;;;;;;;"Hoegenauer K, Soldermann N, Hebach C, Hollingworth GJ, Lewis I, von Matt A, Smith AB, Wolf RM, Wilcken R, Haasen D, Burkhart C, Zécri F.: Discovery of novel pyrrolidineoxy-substituted heteroaromatics as potent and selective PI3K delta inhibitors with improved physicochemical properties. Bioorg Med Chem Lett, Volume 26 (23), 2016";ChEMBL
Estradiol;MM00197;CC12CCC3c4ccc(O)cc4CCC3C1CCC2O;VOXZDWNPVJITMN-UHFFFAOYSA-N;272.39;3.61;5757;DB00783;EST;CHEMBL135;BBB;EPAM;25;0;"ph = 7.4, <a href=https://www.ebi.ac.uk/chembl/assay_report_card/CHEMBL3767515/  target=_blank>CHEMBL3767515</a>";;;;;;;;;-4.77;;;;;;;;;;;;"Xie SS, Lan JS, Wang X, Wang ZM, Jiang N, Li F, Wu JJ, Wang J, Kong LY.: Design, synthesis and biological evaluation of novel donepezil-coumarin hybrids as multi-target agents for the treatment of Alzheimer's disease. Bioorg Med Chem, Volume 24 (7), 2016";ChEMBL
MM472097;MM472097;COC(=O)Nc1ccc(S(=O)(=O)C(C)C)c(C2CCCN2C(=O)C(Nc2ccc3cc[nH]c(=O)c3c2)c2ccc(OC)c(OC)c2)c1;QMDGBKOOYLXRQW-DLFZDVPBSA-N;662.77;5.42;24999867;;;CHEMBL3949343;GENER;EPAM;25;0;"ph = 7.4, <a href=https://www.ebi.ac.uk/chembl/assay_report_card/CHEMBL3865418/  target=_blank>CHEMBL3865418</a>";;;;;;;;;-5.06;;;;;;;;;;;;"Wurtz NR, Parkhurst BL, Jiang W, DeLucca I, Zhang X, Ladziata V, Cheney DL, Bozarth JR, Rendina AR, Wei A, Luettgen JM, Wu Y, Wong PC, Seiffert DA, Wexler RR, Priestley ES.: Discovery of Phenylglycine Lactams as Potent Neutral Factor VIIa Inhibitors. ACS Med Chem Lett, Volume 7 (12), 2016";ChEMBL
Estradiol;MM00197;CC12CCC3c4ccc(O)cc4CCC3C1CCC2O;VOXZDWNPVJITMN-UHFFFAOYSA-N;272.39;3.61;5757;DB00783;EST;CHEMBL135;BBB;EPAM;25;0;"ph = 7.4, <a href=https://www.ebi.ac.uk/chembl/assay_report_card/CHEMBL3767688/  target=_blank>CHEMBL3767688</a>";;;;;;;;;-4.92;;;;;;;;;;;;"Xie SS, Lan JS, Wang X, Wang ZM, Jiang N, Li F, Wu JJ, Wang J, Kong LY.: Design, synthesis and biological evaluation of novel donepezil-coumarin hybrids as multi-target agents for the treatment of Alzheimer's disease. Bioorg Med Chem, Volume 24 (7), 2016";ChEMBL
MM473337;MM473337;Cc1cc(Cl)cc2c(-c3ccccc3)c(C(=O)O)c(N3CCCCC3)nc12;GNZUTXQJDKZNGL-UHFFFAOYSA-N;380.88;5.55;71556493;;;CHEMBL3950316;GENER;EPAM;25;0;"<a href=https://www.ebi.ac.uk/chembl/assay_report_card/CHEMBL3861360/  target=_blank>CHEMBL3861360</a>";;;;;;;;;-5.75;;;;;;;;;;;;"Kühne H, Obst-Sander U, Kuhn B, Conte A, Ceccarelli SM, Neidhart W, Rudolph MG, Ottaviani G, Gasser R, So SS, Li S, Zhang X, Gao L, Myers M.: Design and synthesis of selective, dual fatty acid binding protein 4 and 5 inhibitors. Bioorg Med Chem Lett, Volume 26 (20), 2016";ChEMBL
MM474240;MM474240;COC(=O)c1ccc(N2CCN(C)CC2)c(NC(=O)c2ccc(F)c([N+](=O)[O-])c2)c1;KWVCATVDUJCDJM-UHFFFAOYSA-N;416.41;2.52;;;;;GENER;EPAM;25;+1,-1;"<a href=https://www.ebi.ac.uk/chembl/assay_report_card/CHEMBL3859791/  target=_blank>CHEMBL3859791</a>";;;;;;;;;-4.28;;;;;;;;;;;;"Li DD, Wang ZH, Chen WL, Xie YY, You QD, Guo XK.: Structure-based design of ester compounds to inhibit MLL complex catalytic activity by targeting mixed lineage leukemia 1 (MLL1)-WDR5 interaction. Bioorg Med Chem, Volume 24 (22), 2016";ChEMBL
MM472115;MM472115;CN1CCc2cccc(c2)[C@@H](Nc2ccc3c(N)ncc(F)c3c2)C(=O)N(C)Cc2cc(ccc2S(=O)(=O)C2CC2)NC1=O;BCCZSVOMVPSNRH-GDLZYMKVSA-N;616.72;4.72;;;;;GENER;EPAM;25;0;"ph = 7.4, <a href=https://www.ebi.ac.uk/chembl/assay_report_card/CHEMBL3871152/  target=_blank>CHEMBL3871152</a>";;;;;;;;;-4.66;;;;;;;;;;;;"Richter JM, Cheney DL, Bates JA, Wei A, Luettgen JM, Rendina AR, Harper TM, Narayanan R, Wong PC, Seiffert D, Wexler RR, Priestley ES.: Design and Synthesis of Novel Meta-Linked Phenylglycine Macrocyclic FVIIa Inhibitors. ACS Med Chem Lett, Volume 8 (1), 2017";ChEMBL
MM474553;MM474553;Cc1cc2ccc1C(C)COC(=O)Nc1ccc(-c3ccnn3C)c(c1)CN(C)C(=O)C2Nc1ccc2c(N)nccc2c1;RRNRMCAVLZYWDN-JCOAXYOVSA-N;589.7;6;134145163;;;CHEMBL3951940;GENER;EPAM;25;0;"<a href=https://www.ebi.ac.uk/chembl/assay_report_card/CHEMBL3854661/  target=_blank>CHEMBL3854661</a>";;;;;;;;;-5.23;;;;;;;;;;;;"Zhang X, Glunz PW, Johnson JA, Jiang W, Jacutin-Porte S, Ladziata V, Zou Y, Phillips MS, Wurtz NR, Parkhurst B, Rendina AR, Harper TM, Cheney DL, Luettgen JM, Wong PC, Seiffert D, Wexler RR, Priestley ES.: Discovery of a Highly Potent, Selective, and Orally Bioavailable Macrocyclic Inhibitor of Blood Coagulation Factor VIIa-Tissue Factor Complex. J Med Chem, Volume 59 (15), 2016";ChEMBL
MM471678;MM471678;CC1=C(O)C(=O)C=C2C1=CC=C1C2(C)CCC2(C)C3CC(C)(C(=O)NCCN(C)C)CCC3(C)CCC12C;DMDYLUPOMROPNN-CDKFMWKUSA-N;520.76;6.29;134144319;;;CHEMBL3952862;GENER;EPAM;25;0;"ph = 7.4, <a href=https://www.ebi.ac.uk/chembl/assay_report_card/CHEMBL3861292/  target=_blank>CHEMBL3861292</a>";;;;;;;;;-4.35;;;;;;;;;;;;"Jiang F, Wang HJ, Bao QC, Wang L, Jin YH, Zhang Q, Jiang D, You QD, Xu XL.: Optimization and biological evaluation of celastrol derivatives as Hsp90-Cdc37 interaction disruptors with improved druglike properties. Bioorg Med Chem, Volume 24 (21), 2016";ChEMBL
MM472107;MM472107;COC(=O)Nc1ccc(S(=O)(=O)C(C)C)c(C2CCCN2C(=O)C(Nc2ccc3c(c2)C(=O)NCC3C)c2ccc(OC)c(OC)c2)c1;QSGFPANUKSDPNC-NTYRGRDKSA-N;678.81;5.43;134145094;;;CHEMBL3953609;GENER;EPAM;25;0;"ph = 7.4, <a href=https://www.ebi.ac.uk/chembl/assay_report_card/CHEMBL3865418/  target=_blank>CHEMBL3865418</a>";;;;;;;;;-4.42;;;;;;;;;;;;"Wurtz NR, Parkhurst BL, Jiang W, DeLucca I, Zhang X, Ladziata V, Cheney DL, Bozarth JR, Rendina AR, Wei A, Luettgen JM, Wu Y, Wong PC, Seiffert DA, Wexler RR, Priestley ES.: Discovery of Phenylglycine Lactams as Potent Neutral Factor VIIa Inhibitors. ACS Med Chem Lett, Volume 7 (12), 2016";ChEMBL
MM472086;MM472086;Cc1cc2ccc1C(C)COC(=O)Nc1ccc(C3(C(=O)O)CCCCC3)c(c1)CN(C)C(=O)C2Nc1ccc2c(N)ncc(F)c2c1;;653.76;7.03;122164612;;;CHEMBL3956096;GENER;EPAM;25;0;"ph = 5.5, <a href=https://www.ebi.ac.uk/chembl/assay_report_card/CHEMBL3855502/  target=_blank>CHEMBL3855502</a>";;;;;;;;;-4.09;;;;;;;;;;;;"Ladziata VU, Glunz PW, Zou Y, Zhang X, Jiang W, Jacutin-Porte S, Cheney DL, Wei A, Luettgen JM, Harper TM, Wong PC, Seiffert D, Wexler RR, Priestley ES.: Synthesis and P1' SAR exploration of potent macrocyclic tissue factor-factor VIIa inhibitors. Bioorg Med Chem Lett, Volume 26 (20), 2016";ChEMBL
MM474230;MM474230;Cc1c(F)c(N)cc(C(=O)Nc2cc(C(=O)Oc3ccccc3)ccc2N2CCN(C)CC2)c1Cl;VKUIARDCYFJGLG-UHFFFAOYSA-N;496.97;4.59;;;;;GENER;EPAM;25;0;"<a href=https://www.ebi.ac.uk/chembl/assay_report_card/CHEMBL3859791/  target=_blank>CHEMBL3859791</a>";;;;;;;;;-4.42;;;;;;;;;;;;"Li DD, Wang ZH, Chen WL, Xie YY, You QD, Guo XK.: Structure-based design of ester compounds to inhibit MLL complex catalytic activity by targeting mixed lineage leukemia 1 (MLL1)-WDR5 interaction. Bioorg Med Chem, Volume 24 (22), 2016";ChEMBL
Estradiol;MM00197;CC12CCC3c4ccc(O)cc4CCC3C1CCC2O;VOXZDWNPVJITMN-UHFFFAOYSA-N;272.39;3.61;5757;DB00783;EST;CHEMBL135;BBB;EPAM;25;0;"<a href=https://www.ebi.ac.uk/chembl/assay_report_card/CHEMBL4224295/  target=_blank>CHEMBL4224295</a>";;;;;;;;;-4.92;;;;;;;;;;;;"Yang X, Cai P, Liu Q, Wu J, Yin Y, Wang X, Kong L.: Novel 8-hydroxyquinoline derivatives targeting β-amyloid aggregation, metal chelation and oxidative stress against Alzheimer's disease. Bioorg Med Chem, Volume 26 (12), 2018";ChEMBL
MM472092;MM472092;CC1(C2CC(=O)N(CCOc3ccc(F)c(F)c3)C2)CCS(=O)(=O)CC1;BTLIVXFEOFQGEG-CYBMUJFWSA-N;387.45;2.41;134155224;;;CHEMBL3957888;GENER;EPAM;25;0;"ph = 7.4, <a href=https://www.ebi.ac.uk/chembl/assay_report_card/CHEMBL3861799/  target=_blank>CHEMBL3861799</a>";;;;;;;;;-4.77;;;;;;;;;;;;"Woolford AJ, Day PJ, Bénéton V, Berdini V, Coyle JE, Dudit Y, Grondin P, Huet P, Lee LY, Manas ES, McMenamin RL, Murray CW, Page LW, Patel VK, Potvain F, Rich SJ, Sang Y, Somers DO, Trottet L, Wan Z, Zhang X.: Fragment-Based Approach to the Development of an Orally Bioavailable Lactam Inhibitor of Lipoprotein-Associated Phospholipase A2 (Lp-PLA<sub>2</sub>). J Med Chem, Volume 59 (23), 2016";ChEMBL
Estradiol;MM00197;CC12CCC3c4ccc(O)cc4CCC3C1CCC2O;VOXZDWNPVJITMN-UHFFFAOYSA-N;272.39;3.61;5757;DB00783;EST;CHEMBL135;BBB;EPAM;25;0;"<a href=https://www.ebi.ac.uk/chembl/assay_report_card/CHEMBL4224296/  target=_blank>CHEMBL4224296</a>";;;;;;;;;-5.04;;;;;;;;;;;;"Yang X, Cai P, Liu Q, Wu J, Yin Y, Wang X, Kong L.: Novel 8-hydroxyquinoline derivatives targeting β-amyloid aggregation, metal chelation and oxidative stress against Alzheimer's disease. Bioorg Med Chem, Volume 26 (12), 2018";ChEMBL
MM472099;MM472099;COC(=O)Nc1ccc(S(=O)(=O)C(C)C)c(C2CCCN2C(=O)C(Nc2ccc3cn[nH]c(=O)c3c2)c2ccc(OC)c(OC)c2)c1;MQUVSOWBUJPWKF-PDDLMNHVSA-N;663.75;4.82;24999869;;;CHEMBL3958001;GENER;EPAM;25;0;"ph = 7.4, <a href=https://www.ebi.ac.uk/chembl/assay_report_card/CHEMBL3865418/  target=_blank>CHEMBL3865418</a>";;;;;;;;;-5.12;;;;;;;;;;;;"Wurtz NR, Parkhurst BL, Jiang W, DeLucca I, Zhang X, Ladziata V, Cheney DL, Bozarth JR, Rendina AR, Wei A, Luettgen JM, Wu Y, Wong PC, Seiffert DA, Wexler RR, Priestley ES.: Discovery of Phenylglycine Lactams as Potent Neutral Factor VIIa Inhibitors. ACS Med Chem Lett, Volume 7 (12), 2016";ChEMBL
Estradiol;MM00197;CC12CCC3c4ccc(O)cc4CCC3C1CCC2O;VOXZDWNPVJITMN-UHFFFAOYSA-N;272.39;3.61;5757;DB00783;EST;CHEMBL135;BBB;EPAM;25;0;"<a href=https://www.ebi.ac.uk/chembl/assay_report_card/CHEMBL3396583/  target=_blank>CHEMBL3396583</a>";;;;;;;;;-5.08;;;;;;;;;;;;"Huang M, Xie SS, Jiang N, Lan JS, Kong LY, Wang XB.: Multifunctional coumarin derivatives: monoamine oxidase B (MAO-B) inhibition, anti-β-amyloid (Aβ) aggregation and metal chelation properties against Alzheimer's disease. Bioorg Med Chem Lett, Volume 25 (3), 2015";ChEMBL
MM473339;MM473339;Clc1ccc2nc(N3CCCCC3)c(-c3nn[nH]n3)c(-c3ccccc3)c2c1;FXEKONNOBJEKPB-UHFFFAOYSA-N;390.88;4.73;71556425;;;CHEMBL3959018;GENER;EPAM;25;0;"<a href=https://www.ebi.ac.uk/chembl/assay_report_card/CHEMBL3861360/  target=_blank>CHEMBL3861360</a>";;;;;;;;;-5.47;;;;;;;;;;;;"Kühne H, Obst-Sander U, Kuhn B, Conte A, Ceccarelli SM, Neidhart W, Rudolph MG, Ottaviani G, Gasser R, So SS, Li S, Zhang X, Gao L, Myers M.: Design and synthesis of selective, dual fatty acid binding protein 4 and 5 inhibitors. Bioorg Med Chem Lett, Volume 26 (20), 2016";ChEMBL
Estradiol;MM00197;CC12CCC3c4ccc(O)cc4CCC3C1CCC2O;VOXZDWNPVJITMN-UHFFFAOYSA-N;272.39;3.61;5757;DB00783;EST;CHEMBL135;BBB;EPAM;25;0;"<a href=https://www.ebi.ac.uk/chembl/assay_report_card/CHEMBL3412995/  target=_blank>CHEMBL3412995</a>";;;;;;;;;-4.94;;;;;;;;;;;;"Xie SS, Lan JS, Wang XB, Jiang N, Dong G, Li ZR, Wang KD, Guo PP, Kong LY.: Multifunctional tacrine-trolox hybrids for the treatment of Alzheimer's disease with cholinergic, antioxidant, neuroprotective and hepatoprotective properties. Eur J Med Chem, Volume 93, 2015";ChEMBL
MM472316;MM472316;CCC(=O)N1CCC(Oc2ncnc3ccc(-c4cnc(OC)c(C#N)c4)cc23)C1;FCRWAGMUQQHCJF-KRWDZBQOSA-N;403.44;2.96;134156160;;;CHEMBL3960012;GENER;EPAM;25;0;"ph = 6.8, <a href=https://www.ebi.ac.uk/chembl/assay_report_card/CHEMBL3868303/  target=_blank>CHEMBL3868303</a>";;;;;;;;;-3.8;;;;;;;;;;;;"Hoegenauer K, Soldermann N, Hebach C, Hollingworth GJ, Lewis I, von Matt A, Smith AB, Wolf RM, Wilcken R, Haasen D, Burkhart C, Zécri F.: Discovery of novel pyrrolidineoxy-substituted heteroaromatics as potent and selective PI3K delta inhibitors with improved physicochemical properties. Bioorg Med Chem Lett, Volume 26 (23), 2016";ChEMBL
Estradiol;MM00197;CC12CCC3c4ccc(O)cc4CCC3C1CCC2O;VOXZDWNPVJITMN-UHFFFAOYSA-N;272.39;3.61;5757;DB00783;EST;CHEMBL135;BBB;EPAM;25;0;"<a href=https://www.ebi.ac.uk/chembl/assay_report_card/CHEMBL3418564/  target=_blank>CHEMBL3418564</a>";;;;;;;;;-4.92;;;;;;;;;;;;"Xie SS, Wang X, Jiang N, Yu W, Wang KD, Lan JS, Li ZR, Kong LY.: Multi-target tacrine-coumarin hybrids: cholinesterase and monoamine oxidase B inhibition properties against Alzheimer's disease. Eur J Med Chem, Volume 95, 2015";ChEMBL
MM474324;MM474324;COC(=O)NC(C(=O)N1CCCC1c1nc2ccc(C3CCC(c4ccc5nc(C6CCCN6C(=O)C(NC(=O)OC)C(C)C)[nH]c5c4)N3c3ccc(C(C)(C)C)cc3)cc2[nH]1)C(C)C;NREDIDBJPFQPKQ-UEECLIOXSA-N;888.13;8.91;58032058;;;CHEMBL3960757;GENER;EPAM;25;0;"<a href=https://www.ebi.ac.uk/chembl/assay_report_card/CHEMBL4183590/  target=_blank>CHEMBL4183590</a>";;;;;;;;;-6.85;;;;;;;;;;;;"Wagner R, Randolph JT, Patel SV, Nelson L, Matulenko MA, Keddy R, Pratt JK, Liu D, Krueger AC, Donner PL, Hutchinson DK, Flentge C, Betebenner D, Rockway T, Maring CJ, Ng TI, Krishnan P, Pilot-Matias T, Collins C, Panchal N, Reisch T, Dekhtyar T, Mondal R, Stolarik DF, Gao Y, Gao W, Beno DA, Kati WM.: Highlights of the Structure-Activity Relationships of Benzimidazole Linked Pyrrolidines Leading to the Discovery of the Hepatitis C Virus NS5A Inhibitor Pibrentasvir (ABT-530). J Med Chem, Volume 61 (9), 2018";ChEMBL
Estradiol;MM00197;CC12CCC3c4ccc(O)cc4CCC3C1CCC2O;VOXZDWNPVJITMN-UHFFFAOYSA-N;272.39;3.61;5757;DB00783;EST;CHEMBL135;BBB;EPAM;25;0;"<a href=https://www.ebi.ac.uk/chembl/assay_report_card/CHEMBL3870528/  target=_blank>CHEMBL3870528</a>";;;;;;;;;-5.01;;;;;;;;;;;;"Wang ZM, Cai P, Liu QH, Xu DQ, Yang XL, Wu JJ, Kong LY, Wang XB.: Rational modification of donepezil as multifunctional acetylcholinesterase inhibitors for the treatment of Alzheimer's disease. Eur J Med Chem, Volume 123, 2016";ChEMBL
MM471467;MM471467;CCCCCCc1ccc(C(=O)CCN(CCCC)CCCC)cc1;UMFRWWULZNWTFF-UHFFFAOYSA-N;345.57;6.28;23635364;;;CHEMBL396086;GENER;EPAM;25;0;"ph = 7.4, <a href=https://www.ebi.ac.uk/chembl/assay_report_card/CHEMBL900775/  target=_blank>CHEMBL900775</a>";;;;;;;;;-2.71;;;;;;;;;;;;"Arnold LA, Kosinski A, Estébanez-Perpiñá E, Fletterick RJ, Guy RK.: Inhibitors of the interaction of a thyroid hormone receptor and coactivators: preliminary structure-activity relationships. J Med Chem, Volume 50 (22), 2007";ChEMBL
MM471473;MM471473;CC=CC(=O)c1ccc(CCCCCCC)cc1;LCSOCUYXJADQCV-RUDMXATFSA-N;244.38;4.96;23635476;;;CHEMBL396089;GENER;EPAM;25;0;"ph = 7.4, <a href=https://www.ebi.ac.uk/chembl/assay_report_card/CHEMBL900775/  target=_blank>CHEMBL900775</a>";;;;;;;;;-5.15;;;;;;;;;;;;"Arnold LA, Kosinski A, Estébanez-Perpiñá E, Fletterick RJ, Guy RK.: Inhibitors of the interaction of a thyroid hormone receptor and coactivators: preliminary structure-activity relationships. J Med Chem, Volume 50 (22), 2007";ChEMBL
Estradiol;MM00197;CC12CCC3c4ccc(O)cc4CCC3C1CCC2O;VOXZDWNPVJITMN-UHFFFAOYSA-N;272.39;3.61;5757;DB00783;EST;CHEMBL135;BBB;EPAM;25;0;"<a href=https://www.ebi.ac.uk/chembl/assay_report_card/CHEMBL3870551/  target=_blank>CHEMBL3870551</a>";;;;;;;;;-4.92;;;;;;;;;;;;"Wang ZM, Cai P, Liu QH, Xu DQ, Yang XL, Wu JJ, Kong LY, Wang XB.: Rational modification of donepezil as multifunctional acetylcholinesterase inhibitors for the treatment of Alzheimer's disease. Eur J Med Chem, Volume 123, 2016";ChEMBL
MM472109;MM472109;COC(=O)Nc1ccc(S(=O)(=O)C(C)C)c(C2CCCN2C(=O)C(Nc2cc3c(cc2F)CNC3=O)c2ccc(OC)c(OC)c2)c1;BPIJQVAKJCDFPD-PDDLMNHVSA-N;668.74;4.96;25001205;;;CHEMBL3962367;GENER;EPAM;25;0;"ph = 7.4, <a href=https://www.ebi.ac.uk/chembl/assay_report_card/CHEMBL3865418/  target=_blank>CHEMBL3865418</a>";;;;;;;;;-4.8;;;;;;;;;;;;"Wurtz NR, Parkhurst BL, Jiang W, DeLucca I, Zhang X, Ladziata V, Cheney DL, Bozarth JR, Rendina AR, Wei A, Luettgen JM, Wu Y, Wong PC, Seiffert DA, Wexler RR, Priestley ES.: Discovery of Phenylglycine Lactams as Potent Neutral Factor VIIa Inhibitors. ACS Med Chem Lett, Volume 7 (12), 2016";ChEMBL
MM474229;MM474229;Cc1c(F)c(N)cc(C(=O)Nc2cc(C(=O)OC3CCCCC3)ccc2N2CCN(C)CC2)c1Cl;SNWJZGNROVHLJC-UHFFFAOYSA-N;503.02;4.86;;;;;GENER;EPAM;25;0;"<a href=https://www.ebi.ac.uk/chembl/assay_report_card/CHEMBL3859791/  target=_blank>CHEMBL3859791</a>";;;;;;;;;-5.25;;;;;;;;;;;;"Li DD, Wang ZH, Chen WL, Xie YY, You QD, Guo XK.: Structure-based design of ester compounds to inhibit MLL complex catalytic activity by targeting mixed lineage leukemia 1 (MLL1)-WDR5 interaction. Bioorg Med Chem, Volume 24 (22), 2016";ChEMBL
MM473707;MM473707;Cn1cc(-c2cc(S(C)(=O)=O)ccc2Oc2ccc(F)cc2F)c2cc(C(N)=O)[nH]c2c1=O;PMFAAQHHEWEOPY-UHFFFAOYSA-N;473.46;3.11;;;;;GENER;EPAM;25;0;"<a href=https://www.ebi.ac.uk/chembl/assay_report_card/CHEMBL4346341/  target=_blank>CHEMBL4346341</a>";;;;;;;;;-5.62;;;;;;;;;;;;"Sheppard GS, Wang L, Fidanze SD, Hasvold LA, Liu D, Pratt JK, Park CH, Longenecker K, Qiu W, Torrent M, Kovar PJ, Bui M, Faivre E, Huang X, Lin X, Wilcox D, Zhang L, Shen Y, Albert DH, Magoc TJ, Rajaraman G, Kati WM, McDaniel KF.: Discovery of <i>N</i>-Ethyl-4-[2-(4-fluoro-2,6-dimethyl-phenoxy)-5-(1-hydroxy-1-methyl-ethyl)phenyl]-6-methyl-7-oxo-1<i>H</i>-pyrrolo[2,3-<i>c</i>]pyridine-2-carboxamide (ABBV-744), a BET Bromodomain Inhibitor with Selectivity for the Second Bromodomain. J Med Chem, Volume 63 (10), 2020";ChEMBL
Estradiol;MM00197;CC12CCC3c4ccc(O)cc4CCC3C1CCC2O;VOXZDWNPVJITMN-UHFFFAOYSA-N;272.39;3.61;5757;DB00783;EST;CHEMBL135;BBB;EPAM;25;0;"<a href=https://www.ebi.ac.uk/chembl/assay_report_card/CHEMBL4192765/  target=_blank>CHEMBL4192765</a>";;;;;;;;;-5.1;;;;;;;;;;;;"Yang HL, Cai P, Liu QH, Yang XL, Li F, Wang J, Wu JJ, Wang XB, Kong LY.: Design, synthesis and evaluation of coumarin-pargyline hybrids as novel dual inhibitors of monoamine oxidases and amyloid-β aggregation for the treatment of Alzheimer's disease. Eur J Med Chem, Volume 138, 2017";ChEMBL
Estradiol;MM00197;CC12CCC3c4ccc(O)cc4CCC3C1CCC2O;VOXZDWNPVJITMN-UHFFFAOYSA-N;272.39;3.61;5757;DB00783;EST;CHEMBL135;BBB;EPAM;25;0;"<a href=https://www.ebi.ac.uk/chembl/assay_report_card/CHEMBL4192766/  target=_blank>CHEMBL4192766</a>";;;;;;;;;-4.92;;;;;;;;;;;;"Yang HL, Cai P, Liu QH, Yang XL, Li F, Wang J, Wu JJ, Wang XB, Kong LY.: Design, synthesis and evaluation of coumarin-pargyline hybrids as novel dual inhibitors of monoamine oxidases and amyloid-β aggregation for the treatment of Alzheimer's disease. Eur J Med Chem, Volume 138, 2017";ChEMBL
MM471684;MM471684;CC1=C(O)C(=O)C=C2C1=CC=C1C2(C)CCC2(C)C3CC(C)(C(=O)NCCN4CCN(C)CC4)CCC3(C)CCC12C;AUHBBPFFPHASLO-WFVGHVPHSA-N;575.84;5.98;134150289;;;CHEMBL3965777;GENER;EPAM;25;0;"ph = 7.4, <a href=https://www.ebi.ac.uk/chembl/assay_report_card/CHEMBL3861292/  target=_blank>CHEMBL3861292</a>";;;;;;;;;-4.54;;;;;;;;;;;;"Jiang F, Wang HJ, Bao QC, Wang L, Jin YH, Zhang Q, Jiang D, You QD, Xu XL.: Optimization and biological evaluation of celastrol derivatives as Hsp90-Cdc37 interaction disruptors with improved druglike properties. Bioorg Med Chem, Volume 24 (21), 2016";ChEMBL
MM472315;MM472315;CCC(=O)N1CC[C@@H](Oc2cnc3ccc(-c4ccc(OC)c(OC)c4)cc3n2)C1;SOOIWWIBFDIDEP-QGZVFWFLSA-N;407.47;3.7;;;;;GENER;EPAM;25;0;"ph = 6.8, <a href=https://www.ebi.ac.uk/chembl/assay_report_card/CHEMBL3868303/  target=_blank>CHEMBL3868303</a>";;;;;;;;;-3.8;;;;;;;;;;;;"Hoegenauer K, Soldermann N, Hebach C, Hollingworth GJ, Lewis I, von Matt A, Smith AB, Wolf RM, Wilcken R, Haasen D, Burkhart C, Zécri F.: Discovery of novel pyrrolidineoxy-substituted heteroaromatics as potent and selective PI3K delta inhibitors with improved physicochemical properties. Bioorg Med Chem Lett, Volume 26 (23), 2016";ChEMBL
MM472114;MM472114;CCN(CC)CCN(CC12CC(c3ccc(C(F)(F)F)cc3)(C1)C2)C(=O)Cn1c(SCc2ccc(F)cc2)nc(=O)c2c1CCC2;DPBVEZITSOYBHD-UHFFFAOYSA-N;656.79;6.47;134150004;;;CHEMBL3967156;GENER;EPAM;25;0;"ph = 7.4, <a href=https://www.ebi.ac.uk/chembl/assay_report_card/CHEMBL3871134/  target=_blank>CHEMBL3871134</a>";;;;;;;;;-4.15;;;;;;;;;;;;"Measom ND, Down KD, Hirst DJ, Jamieson C, Manas ES, Patel VK, Somers DO.: Investigation of a Bicyclo[1.1.1]pentane as a Phenyl Replacement within an LpPLA<sub>2</sub> Inhibitor. ACS Med Chem Lett, Volume 8 (1), 2017";ChEMBL
MM472088;MM472088;Cc1cc2ccc1C(C)COC(=O)Nc1ccc(C3(c4nn[nH]n4)CC3)c(c1)CN(C)C(=O)C2Nc1ccc2c(N)ncc(F)c2c1;;635.7;5.33;134150310;;;CHEMBL3967204;GENER;EPAM;25;0;"ph = 5.5, <a href=https://www.ebi.ac.uk/chembl/assay_report_card/CHEMBL3855502/  target=_blank>CHEMBL3855502</a>";;;;;;;;;-4.92;;;;;;;;;;;;"Ladziata VU, Glunz PW, Zou Y, Zhang X, Jiang W, Jacutin-Porte S, Cheney DL, Wei A, Luettgen JM, Harper TM, Wong PC, Seiffert D, Wexler RR, Priestley ES.: Synthesis and P1' SAR exploration of potent macrocyclic tissue factor-factor VIIa inhibitors. Bioorg Med Chem Lett, Volume 26 (20), 2016";ChEMBL
MM471463;MM471463;CCCCCCc1ccc(C(=O)CCNCCC)cc1;IHAKHGFZWJHPER-UHFFFAOYSA-N;275.44;4.38;23635367;;;CHEMBL396873;GENER;EPAM;25;0;"ph = 7.4, <a href=https://www.ebi.ac.uk/chembl/assay_report_card/CHEMBL900775/  target=_blank>CHEMBL900775</a>";;;;;;;;;-3.6;;;;;;;;;;;;"Arnold LA, Kosinski A, Estébanez-Perpiñá E, Fletterick RJ, Guy RK.: Inhibitors of the interaction of a thyroid hormone receptor and coactivators: preliminary structure-activity relationships. J Med Chem, Volume 50 (22), 2007";ChEMBL
MM472100;MM472100;COC(=O)Nc1ccc(S(=O)(=O)C(C)C)c(C2CCCN2C(=O)C(Nc2ccc3c(c2)C(=O)NC3)c2ccc(OC)c(OC)c2)c1;BLILEDRECUJVDZ-PDDLMNHVSA-N;650.75;4.82;24999557;;;CHEMBL3969050;GENER;EPAM;25;0;"ph = 7.4, <a href=https://www.ebi.ac.uk/chembl/assay_report_card/CHEMBL3865418/  target=_blank>CHEMBL3865418</a>";;;;;;;;;-5.74;;;;;;;;;;;;"Wurtz NR, Parkhurst BL, Jiang W, DeLucca I, Zhang X, Ladziata V, Cheney DL, Bozarth JR, Rendina AR, Wei A, Luettgen JM, Wu Y, Wong PC, Seiffert DA, Wexler RR, Priestley ES.: Discovery of Phenylglycine Lactams as Potent Neutral Factor VIIa Inhibitors. ACS Med Chem Lett, Volume 7 (12), 2016";ChEMBL
Estradiol;MM00197;CC12CCC3c4ccc(O)cc4CCC3C1CCC2O;VOXZDWNPVJITMN-UHFFFAOYSA-N;272.39;3.61;5757;DB00783;EST;CHEMBL135;BBB;EPAM;25;0;"<a href=https://www.ebi.ac.uk/chembl/assay_report_card/CHEMBL4198703/  target=_blank>CHEMBL4198703</a>";;;;;;;;;-4.99;;;;;;;;;;;;"Hepnarova V, Korabecny J, Matouskova L, Jost P, Muckova L, Hrabinova M, Vykoukalova N, Kerhartova M, Kucera T, Dolezal R, Nepovimova E, Spilovska K, Mezeiova E, Pham NL, Jun D, Staud F, Kaping D, Kuca K, Soukup O.: The concept of hybrid molecules of tacrine and benzyl quinolone carboxylic acid (BQCA) as multifunctional agents for Alzheimer's disease. Eur J Med Chem, Volume 150, 2018";ChEMBL
MM472312;MM472312;COc1ccc(-c2ccc3ncnc(O[C@H]4CCN(C(C)=O)C4)c3c2)cc1OC;XMWNQYUMDITPFO-KRWDZBQOSA-N;393.44;3.31;;;;;GENER;EPAM;25;0;"ph = 6.8, <a href=https://www.ebi.ac.uk/chembl/assay_report_card/CHEMBL3868303/  target=_blank>CHEMBL3868303</a>";;;;;;;;;-3.9;;;;;;;;;;;;"Hoegenauer K, Soldermann N, Hebach C, Hollingworth GJ, Lewis I, von Matt A, Smith AB, Wolf RM, Wilcken R, Haasen D, Burkhart C, Zécri F.: Discovery of novel pyrrolidineoxy-substituted heteroaromatics as potent and selective PI3K delta inhibitors with improved physicochemical properties. Bioorg Med Chem Lett, Volume 26 (23), 2016";ChEMBL
Estradiol;MM00197;CC12CCC3c4ccc(O)cc4CCC3C1CCC2O;VOXZDWNPVJITMN-UHFFFAOYSA-N;272.39;3.61;5757;DB00783;EST;CHEMBL135;BBB;EPAM;25;0;"<a href=https://www.ebi.ac.uk/chembl/assay_report_card/CHEMBL4198704/  target=_blank>CHEMBL4198704</a>";;;;;;;;;-4.84;;;;;;;;;;;;"Hepnarova V, Korabecny J, Matouskova L, Jost P, Muckova L, Hrabinova M, Vykoukalova N, Kerhartova M, Kucera T, Dolezal R, Nepovimova E, Spilovska K, Mezeiova E, Pham NL, Jun D, Staud F, Kaping D, Kuca K, Soukup O.: The concept of hybrid molecules of tacrine and benzyl quinolone carboxylic acid (BQCA) as multifunctional agents for Alzheimer's disease. Eur J Med Chem, Volume 150, 2018";ChEMBL
MM473341;MM473341;S=c1[nH]nc(-c2c(N3CCCCC3)nc3ccc(Cl)cc3c2-c2ccccc2)o1;QNSIEZUINFOQFH-UHFFFAOYSA-N;422.94;6.26;71555922;;;CHEMBL3970105;GENER;EPAM;25;0;"<a href=https://www.ebi.ac.uk/chembl/assay_report_card/CHEMBL3861360/  target=_blank>CHEMBL3861360</a>";;;;;;;;;-5.84;;;;;;;;;;;;"Kühne H, Obst-Sander U, Kuhn B, Conte A, Ceccarelli SM, Neidhart W, Rudolph MG, Ottaviani G, Gasser R, So SS, Li S, Zhang X, Gao L, Myers M.: Design and synthesis of selective, dual fatty acid binding protein 4 and 5 inhibitors. Bioorg Med Chem Lett, Volume 26 (20), 2016";ChEMBL
MM473336;MM473336;O=C(O)c1c(N2CCCCC2)nc2c(Cl)cc(Cl)cc2c1-c1ccccc1;CXDOFNPXCPTGNV-UHFFFAOYSA-N;401.29;5.9;71556353;;;CHEMBL3971182;GENER;EPAM;25;0;"<a href=https://www.ebi.ac.uk/chembl/assay_report_card/CHEMBL3861360/  target=_blank>CHEMBL3861360</a>";;;;;;;;;-5.53;;;;;;;;;;;;"Kühne H, Obst-Sander U, Kuhn B, Conte A, Ceccarelli SM, Neidhart W, Rudolph MG, Ottaviani G, Gasser R, So SS, Li S, Zhang X, Gao L, Myers M.: Design and synthesis of selective, dual fatty acid binding protein 4 and 5 inhibitors. Bioorg Med Chem Lett, Volume 26 (20), 2016";ChEMBL
MM474238;MM474238;COC(=O)c1ccc(N2CCN(C)CC2)c(NC(=O)c2cc([N+](=O)[O-])c(F)c(C)c2Cl)c1;WFIKFJIEAAJWSY-UHFFFAOYSA-N;464.88;3.49;;;;;GENER;EPAM;25;+1,-1;"<a href=https://www.ebi.ac.uk/chembl/assay_report_card/CHEMBL3859791/  target=_blank>CHEMBL3859791</a>";;;;;;;;;-4.13;;;;;;;;;;;;"Li DD, Wang ZH, Chen WL, Xie YY, You QD, Guo XK.: Structure-based design of ester compounds to inhibit MLL complex catalytic activity by targeting mixed lineage leukemia 1 (MLL1)-WDR5 interaction. Bioorg Med Chem, Volume 24 (22), 2016";ChEMBL
MM471682;MM471682;CC1=C(O)C(=O)C=C2C1=CC=C1C2(C)CCC2(C)C3CC(C)(C(=O)NCCN4CCCCC4)CCC3(C)CCC12C;AMLLISBRXNRLSF-WFVGHVPHSA-N;560.82;7.22;134154032;;;CHEMBL3974252;GENER;EPAM;25;0;"ph = 7.4, <a href=https://www.ebi.ac.uk/chembl/assay_report_card/CHEMBL3861292/  target=_blank>CHEMBL3861292</a>";;;;;;;;;-4.74;;;;;;;;;;;;"Jiang F, Wang HJ, Bao QC, Wang L, Jin YH, Zhang Q, Jiang D, You QD, Xu XL.: Optimization and biological evaluation of celastrol derivatives as Hsp90-Cdc37 interaction disruptors with improved druglike properties. Bioorg Med Chem, Volume 24 (21), 2016";ChEMBL
MM472306;MM472306;COc1ncc(-c2ccc3ncnc(-c4cccc(C(=O)N5CCN(C(C)=O)CC5)c4)c3c2)cc1C#N;;492.54;3.54;86732669;;;CHEMBL3977066;GENER;EPAM;25;0;"ph = 6.8, <a href=https://www.ebi.ac.uk/chembl/assay_report_card/CHEMBL3868303/  target=_blank>CHEMBL3868303</a>";;;;;;;;;-5.5;;;;;;;;;;;;"Hoegenauer K, Soldermann N, Hebach C, Hollingworth GJ, Lewis I, von Matt A, Smith AB, Wolf RM, Wilcken R, Haasen D, Burkhart C, Zécri F.: Discovery of novel pyrrolidineoxy-substituted heteroaromatics as potent and selective PI3K delta inhibitors with improved physicochemical properties. Bioorg Med Chem Lett, Volume 26 (23), 2016";ChEMBL
MM472306;MM472306;COc1ncc(-c2ccc3ncnc(-c4cccc(C(=O)N5CCN(C(C)=O)CC5)c4)c3c2)cc1C#N;;492.54;3.54;86732669;;;CHEMBL3977066;GENER;EPAM;25;0;"<a href=https://www.ebi.ac.uk/chembl/assay_report_card/CHEMBL4134287/  target=_blank>CHEMBL4134287</a>";;;;;;;;;-5.5;;;;;;;;;;;;"Hoegenauer K, Soldermann N, Zécri F, Strang RS, Graveleau N, Wolf RM, Cooke NG, Smith AB, Hollingworth GJ, Blanz J, Gutmann S, Rummel G, Littlewood-Evans A, Burkhart C.: Discovery of CDZ173 (Leniolisib), Representing a Structurally Novel Class of PI3K Delta-Selective Inhibitors. ACS Med Chem Lett, Volume 8 (9), 2017";ChEMBL
Estradiol;MM00197;CC12CCC3c4ccc(O)cc4CCC3C1CCC2O;VOXZDWNPVJITMN-UHFFFAOYSA-N;272.39;3.61;5757;DB00783;EST;CHEMBL135;BBB;EPAM;25;0;"<a href=https://www.ebi.ac.uk/chembl/assay_report_card/CHEMBL4259691/  target=_blank>CHEMBL4259691</a>";;;;;;;;;-4.92;;;;;;;;;;;;"Nath C, Badavath VN, Thakur A, Ucar G, Acevedo O, Mohd Siddique MU, Jayaprakash V.: Curcumin-based pyrazoline analogues as selective inhibitors of human monoamine oxidase A. Medchemcomm, Volume 9 (7), 2018";ChEMBL
Estradiol;MM00197;CC12CCC3c4ccc(O)cc4CCC3C1CCC2O;VOXZDWNPVJITMN-UHFFFAOYSA-N;272.39;3.61;5757;DB00783;EST;CHEMBL135;BBB;EPAM;25;0;"<a href=https://www.ebi.ac.uk/chembl/assay_report_card/CHEMBL4259692/  target=_blank>CHEMBL4259692</a>";;;;;;;;;-4.93;;;;;;;;;;;;"Nath C, Badavath VN, Thakur A, Ucar G, Acevedo O, Mohd Siddique MU, Jayaprakash V.: Curcumin-based pyrazoline analogues as selective inhibitors of human monoamine oxidase A. Medchemcomm, Volume 9 (7), 2018";ChEMBL
MM472310;MM472310;CCC(=O)N1CCC(Oc2ccnc3ccc(-c4ccc(OC)nc4)nc23)C1;BXJYFFUVJNTZJH-HNNXBMFYSA-N;378.43;3.09;134152988;;;CHEMBL3977135;GENER;EPAM;25;0;"ph = 6.8, <a href=https://www.ebi.ac.uk/chembl/assay_report_card/CHEMBL3868303/  target=_blank>CHEMBL3868303</a>";;;;;;;;;-4.5;;;;;;;;;;;;"Hoegenauer K, Soldermann N, Hebach C, Hollingworth GJ, Lewis I, von Matt A, Smith AB, Wolf RM, Wilcken R, Haasen D, Burkhart C, Zécri F.: Discovery of novel pyrrolidineoxy-substituted heteroaromatics as potent and selective PI3K delta inhibitors with improved physicochemical properties. Bioorg Med Chem Lett, Volume 26 (23), 2016";ChEMBL
MM472101;MM472101;COC(=O)Nc1ccc(S(=O)(=O)C(C)C)c(C2CCCN2C(=O)C(Nc2ccc3c(F)c[nH]c(=O)c3c2)c2ccc(OC)c(OC)c2)c1;OWZJHFYKSGTIJZ-DLFZDVPBSA-N;680.76;5.56;25002153;;;CHEMBL3977497;GENER;EPAM;25;0;"ph = 7.4, <a href=https://www.ebi.ac.uk/chembl/assay_report_card/CHEMBL3865418/  target=_blank>CHEMBL3865418</a>";;;;;;;;;-5;;;;;;;;;;;;"Wurtz NR, Parkhurst BL, Jiang W, DeLucca I, Zhang X, Ladziata V, Cheney DL, Bozarth JR, Rendina AR, Wei A, Luettgen JM, Wu Y, Wong PC, Seiffert DA, Wexler RR, Priestley ES.: Discovery of Phenylglycine Lactams as Potent Neutral Factor VIIa Inhibitors. ACS Med Chem Lett, Volume 7 (12), 2016";ChEMBL
MM472111;MM472111;O=C(NCc1cccc(-c2ccc(CS(=O)(=O)Cc3n[nH]c(=O)[nH]3)cc2)c1)c1nc2ccccc2c(=O)[nH]1;GTZKIGXVCZWIAR-UHFFFAOYSA-N;530.57;2.05;136054487;;;CHEMBL3978380;GENER;EPAM;25;0;"ph = 7.4, <a href=https://www.ebi.ac.uk/chembl/assay_report_card/CHEMBL3868409/  target=_blank>CHEMBL3868409</a>";;;;;;;;;-6.15;;;;;;;;;;;;"Nara H, Sato K, Kaieda A, Oki H, Kuno H, Santou T, Kanzaki N, Terauchi J, Uchikawa O, Kori M.: Design, synthesis, and biological activity of novel, potent, and highly selective fused pyrimidine-2-carboxamide-4-one-based matrix metalloproteinase (MMP)-13 zinc-binding inhibitors. Bioorg Med Chem, Volume 24 (23), 2016";ChEMBL
MM474551;MM474551;CCOP(=O)(O)c1ccc2cc1CN(C)C(=O)C(Nc1ccc3c(N)nccc3c1)c1ccc(c(C)c1)C(C)COC(=O)N2;RCTSRSYRSFZKIR-AFJIDDCJSA-N;617.64;5.45;134151811;;;CHEMBL3978562;GENER;EPAM;25;0;"<a href=https://www.ebi.ac.uk/chembl/assay_report_card/CHEMBL3854661/  target=_blank>CHEMBL3854661</a>";;;;;;;;;-6.52;;;;;;;;;;;;"Zhang X, Glunz PW, Johnson JA, Jiang W, Jacutin-Porte S, Ladziata V, Zou Y, Phillips MS, Wurtz NR, Parkhurst B, Rendina AR, Harper TM, Cheney DL, Luettgen JM, Wong PC, Seiffert D, Wexler RR, Priestley ES.: Discovery of a Highly Potent, Selective, and Orally Bioavailable Macrocyclic Inhibitor of Blood Coagulation Factor VIIa-Tissue Factor Complex. J Med Chem, Volume 59 (15), 2016";ChEMBL
MM471088;MM471088;CC1=CC2Cc3nc4cc(Cl)ccc4c(N)c3C(C1)C2;UKCBMHDZLYYTMI-UHFFFAOYSA-N;284.79;4.47;10107976;;;CHEMBL140476;BBB;EPAM;25;0;"<a href=https://www.ebi.ac.uk/chembl/assay_report_card/CHEMBL3383778/  target=_blank>CHEMBL3383778</a>";;;;;;;;;-4.62;;;;;;;;;;;;"Sola I, Artigas A, Taylor MC, Gbedema SY, Pérez B, Clos MV, Wright CW, Kelly JM, Muñoz-Torrero D.: Synthesis and antiprotozoal activity of oligomethylene- and  p-phenylene-bis(methylene)-linked bis(+)-huprines. Bioorg Med Chem Lett, Volume 24 (23), 2014";ChEMBL
MM473338;MM473338;CC(C)c1cccc(-c2c(C(=O)O)c(N(C)C)nc3ccc(Cl)cc23)c1;CKMUEMURCFDTSJ-UHFFFAOYSA-N;368.86;5.44;71556887;;;CHEMBL3979347;GENER;EPAM;25;0;"<a href=https://www.ebi.ac.uk/chembl/assay_report_card/CHEMBL3861360/  target=_blank>CHEMBL3861360</a>";;;;;;;;;-5.19;;;;;;;;;;;;"Kühne H, Obst-Sander U, Kuhn B, Conte A, Ceccarelli SM, Neidhart W, Rudolph MG, Ottaviani G, Gasser R, So SS, Li S, Zhang X, Gao L, Myers M.: Design and synthesis of selective, dual fatty acid binding protein 4 and 5 inhibitors. Bioorg Med Chem Lett, Volume 26 (20), 2016";ChEMBL
MM473643;MM473643;Cc1cc(C2CCCCC2)n(O)c(=O)c1;SCKYRAXSEDYPSA-UHFFFAOYSA-N;207.27;2.44;;;;;BBB;EPAM;25;0;"<a href=https://www.ebi.ac.uk/chembl/assay_report_card/CHEMBL4325487/  target=_blank>CHEMBL4325487</a>";;;;;;;;;-5.09;;;;;;;;;;;;"Hu L, Feng H, Zhang H, Yu S, Zhao Q, Wang W, Bao F, Ding X, Hu J, Wang M, Xu Y, Wu Z, Li X, Tang Y, Mao F, Chen X, Zhang H, Li J.: Development of Novel N-hydroxypyridone Derivatives as Potential Anti-Ischemic Stroke Agents. J Med Chem, Volume 63 (3), 2020";ChEMBL
MM474552;MM474552;CCOP(=O)(OCC)c1ccc2cc1CN(C)C(=O)C(Nc1ccc3c(N)nccc3c1)c1ccc(c(C)c1)C(C)COC(=O)N2;YIXUXJDCYJOAHT-WKRVVKTRSA-N;645.7;6.49;72550807;;;CHEMBL3980787;GENER;EPAM;25;0;"<a href=https://www.ebi.ac.uk/chembl/assay_report_card/CHEMBL3854661/  target=_blank>CHEMBL3854661</a>";;;;;;;;;-5.35;;;;;;;;;;;;"Zhang X, Glunz PW, Johnson JA, Jiang W, Jacutin-Porte S, Ladziata V, Zou Y, Phillips MS, Wurtz NR, Parkhurst B, Rendina AR, Harper TM, Cheney DL, Luettgen JM, Wong PC, Seiffert D, Wexler RR, Priestley ES.: Discovery of a Highly Potent, Selective, and Orally Bioavailable Macrocyclic Inhibitor of Blood Coagulation Factor VIIa-Tissue Factor Complex. J Med Chem, Volume 59 (15), 2016";ChEMBL
MM473529;MM473529;O=C1Nc2ccccc2C1=Nc1ccc(F)cc1;NXPXTHPLHCNMOJ-UHFFFAOYSA-N;240.24;2.9;;;;;BBB;EPAM;25;0;"<a href=https://www.ebi.ac.uk/chembl/assay_report_card/CHEMBL4192183/  target=_blank>CHEMBL4192183</a>";;;;;;;;;-5.06;;;;;;;;;;;;"Salado IG, Zaldivar-Diez J, Sebastián-Pérez V, Li L, Geiger L, González S, Campillo NE, Gil C, Morales AV, Perez DI, Martinez A.: Leucine rich repeat kinase 2 (LRRK2) inhibitors based on indolinone scaffold: Potential pro-neurogenic agents. Eur J Med Chem, Volume 138, 2017";ChEMBL
MM472106;MM472106;COC(=O)Nc1ccc(S(=O)(=O)C(C)C)c(C2CCCN2C(=O)C(Nc2ccc3c(C4CC4)c[nH]c(=O)c3c2)c2ccc(OC)c(OC)c2)c1;CRBTZBQJUBHGJG-KAODMTDESA-N;702.83;6.3;25002154;;;CHEMBL3982319;GENER;EPAM;25;0;"ph = 7.4, <a href=https://www.ebi.ac.uk/chembl/assay_report_card/CHEMBL3865418/  target=_blank>CHEMBL3865418</a>";;;;;;;;;-4.05;;;;;;;;;;;;"Wurtz NR, Parkhurst BL, Jiang W, DeLucca I, Zhang X, Ladziata V, Cheney DL, Bozarth JR, Rendina AR, Wei A, Luettgen JM, Wu Y, Wong PC, Seiffert DA, Wexler RR, Priestley ES.: Discovery of Phenylglycine Lactams as Potent Neutral Factor VIIa Inhibitors. ACS Med Chem Lett, Volume 7 (12), 2016";ChEMBL
MM473481;MM473481;O=C(/C=C/c1cccc(O)c1)c1cccnc1;YWQFCRRNTSUDQK-VOTSOKGWSA-N;225.25;2.68;;;;;BBB;EPAM;25;0;"<a href=https://www.ebi.ac.uk/chembl/assay_report_card/CHEMBL4132647/  target=_blank>CHEMBL4132647</a>";;;;;;;;;-5.19;;;;;;;;;;;;"De Simone A, Bartolini M, Baschieri A, Apperley KYP, Chen HH, Guardigni M, Montanari S, Kobrlova T, Soukup O, Valgimigli L, Andrisano V, Keillor JW, Basso M, Milelli A.: Hydroxy-substituted trans-cinnamoyl derivatives as multifunctional tools in the context of Alzheimer's disease. Eur J Med Chem, Volume 139, 2017";ChEMBL
MM474231;MM474231;Cc1c(F)c([N+](=O)[O-])cc(C(=O)Nc2cc(C(=O)Oc3ccccc3)ccc2N2CCN(C)CC2)c1Cl;PWJBUQPIXZCODS-UHFFFAOYSA-N;526.95;4.92;;;;;GENER;EPAM;25;+1,-1;"<a href=https://www.ebi.ac.uk/chembl/assay_report_card/CHEMBL3859791/  target=_blank>CHEMBL3859791</a>";;;;;;;;;-4.25;;;;;;;;;;;;"Li DD, Wang ZH, Chen WL, Xie YY, You QD, Guo XK.: Structure-based design of ester compounds to inhibit MLL complex catalytic activity by targeting mixed lineage leukemia 1 (MLL1)-WDR5 interaction. Bioorg Med Chem, Volume 24 (22), 2016";ChEMBL
MM472013;MM472013;Nc1ncnn2c(C3CC(N4CCN(C=O)CC4)C3)nc(-c3ccc4ccc(-c5ccccc5)nc4c3F)c12;;522.59;3.75;53319892;;;CHEMBL1688361;GENER;EPAM;25;0;"ph = 7.4, <a href=https://www.ebi.ac.uk/chembl/assay_report_card/CHEMBL1695284/  target=_blank>CHEMBL1695284</a>";;;;;;;;;-3.98;;;;;;;;;;;;"Jin M, Gokhale PC, Cooke A, Foreman K, Buck E, May EW, Feng L, Bittner MA, Kadalbajoo M, Landfair D, Siu KW, Stolz KM, Werner DS, Laufer RS, Li AH, Dong H, Steinig AG, Kleinberg A, Yao Y, Pachter JA, Wild R, Mulvihill MJ.: Discovery of an Orally Efficacious Imidazo[5,1-f][1,2,4]triazine Dual Inhibitor of IGF-1R and IR. ACS Med Chem Lett, Volume 1 (9), 2010";ChEMBL
MM472085;MM472085;Cc1cc2ccc1C(C)COC(=O)Nc1ccc(C3(C(=O)O)CCCC3)c(c1)CN(C)C(=O)C2Nc1ccc2c(N)ncc(F)c2c1;;639.73;6.64;134156593;;;CHEMBL3984725;GENER;EPAM;25;0;"ph = 5.5, <a href=https://www.ebi.ac.uk/chembl/assay_report_card/CHEMBL3855502/  target=_blank>CHEMBL3855502</a>";;;;;;;;;-4.68;;;;;;;;;;;;"Ladziata VU, Glunz PW, Zou Y, Zhang X, Jiang W, Jacutin-Porte S, Cheney DL, Wei A, Luettgen JM, Harper TM, Wong PC, Seiffert D, Wexler RR, Priestley ES.: Synthesis and P1' SAR exploration of potent macrocyclic tissue factor-factor VIIa inhibitors. Bioorg Med Chem Lett, Volume 26 (20), 2016";ChEMBL
MM474674;MM474674;CCCc1nc(C)c2c(=O)[nH]c(-c3cc(S(=O)(=O)N4CCN(CC)CC4)ccc3OCC)nn12;SECKRCOLJRRGGV-UHFFFAOYSA-N;488.61;2.07;135400189;;;CHEMBL1520;BBB;EPAM;25;0;"<a href=https://www.ebi.ac.uk/chembl/assay_report_card/CHEMBL4198925/  target=_blank>CHEMBL4198925</a>";;;;;;;;;-5.67;;;;;;;;;;;;"Rabal O, Sánchez-Arias JA, Cuadrado-Tejedor M, de Miguel I, Pérez-González M, García-Barroso C, Ugarte A, Estella-Hermoso de Mendoza A, Sáez E, Espelosin M, Ursua S, Haizhong T, Wei W, Musheng X, Garcia-Osta A, Oyarzabal J.: Design, synthesis, biological evaluation and in vivo testing of dual phosphodiesterase 5 (PDE5) and histone deacetylase 6 (HDAC6)-selective inhibitors for the treatment of Alzheimer's disease. Eur J Med Chem, Volume 150, 2018";ChEMBL
MM472014;MM472014;CN1CCN(C2CC(c3nc(-c4ccc5ccc(-c6ccccc6)nc5c4F)c4c(N)ncnn34)C2)CC1;;508.61;4.22;11649146;;;CHEMBL1688363;GENER;EPAM;25;0;"ph = 7.4, <a href=https://www.ebi.ac.uk/chembl/assay_report_card/CHEMBL1695284/  target=_blank>CHEMBL1695284</a>";;;;;;;;;-4.17;;;;;;;;;;;;"Jin M, Gokhale PC, Cooke A, Foreman K, Buck E, May EW, Feng L, Bittner MA, Kadalbajoo M, Landfair D, Siu KW, Stolz KM, Werner DS, Laufer RS, Li AH, Dong H, Steinig AG, Kleinberg A, Yao Y, Pachter JA, Wild R, Mulvihill MJ.: Discovery of an Orally Efficacious Imidazo[5,1-f][1,2,4]triazine Dual Inhibitor of IGF-1R and IR. ACS Med Chem Lett, Volume 1 (9), 2010";ChEMBL
Hydromorphone;MM00879;CN1CCC23c4c5ccc(O)c4OC2C(=O)CCC3C1C5;WVLOADHCBXTIJK-YNHQPCIGSA-N;285.34;1.63;5284570;DB00327;;CHEMBL398707;GENER;EPAM;25;0;"<a href=https://www.ebi.ac.uk/chembl/assay_report_card/CHEMBL4323355/  target=_blank>CHEMBL4323355</a>";;;;;;;;;-5.77;;;;;;;;;;;;"Meyer MJ, Neumann VE, Friesacher HR, Zdrazil B, Brockmöller J, Tzvetkov MV.: Opioids as Substrates and Inhibitors of the Genetically Highly Variable Organic Cation Transporter OCT1. J Med Chem, Volume 62 (21), 2019";ChEMBL
MM471537;MM471537;CN(C)CCC(=O)NN1c2ccccc2Sc2cc(Cl)ccc21;OGSIAWJVXJZZOI-UHFFFAOYSA-N;347.87;3.93;44555764;;;CHEMBL1629795;BBB;EPAM;25;0;"ph = 7.4, <a href=https://www.ebi.ac.uk/chembl/assay_report_card/CHEMBL1639398/  target=_blank>CHEMBL1639398</a>";;;;;;;;;-5.06;;;;;;;;;;;;"González-Muñoz GC, Arce MP, López B, Pérez C, Villarroya M, López MG, García AG, Conde S, Rodríguez-Franco MI.: Old phenothiazine and dibenzothiadiazepine derivatives for tomorrow's neuroprotective therapies against neurodegenerative diseases. Eur J Med Chem, Volume 45 (12), 2010";ChEMBL
MM474381;MM474381;Oc1ccc2c(c1)C13CCCCC1C(C2)NCC3;IYNWSQDZXMGGGI-NUEKZKHPSA-N;243.35;2.74;5463854;;;CHEMBL3989483;GENER;EPAM;25;0;"<a href=https://www.ebi.ac.uk/chembl/assay_report_card/CHEMBL4323355/  target=_blank>CHEMBL4323355</a>";;;;;;;;;-6.15;;;;;;;;;;;;"Meyer MJ, Neumann VE, Friesacher HR, Zdrazil B, Brockmöller J, Tzvetkov MV.: Opioids as Substrates and Inhibitors of the Genetically Highly Variable Organic Cation Transporter OCT1. J Med Chem, Volume 62 (21), 2019";ChEMBL
MM471538;MM471538;CC(=O)n1c2ccccc2sc2cccc(Cl)c2n1C(C)=O;WXINTIBNCAQMMV-UHFFFAOYSA-N;332.81;4.76;12946015;;;CHEMBL1629799;BBB;EPAM;25;0;"ph = 7.4, <a href=https://www.ebi.ac.uk/chembl/assay_report_card/CHEMBL1639398/  target=_blank>CHEMBL1639398</a>";;;;;;;;;-5.11;;;;;;;;;;;;"González-Muñoz GC, Arce MP, López B, Pérez C, Villarroya M, López MG, García AG, Conde S, Rodríguez-Franco MI.: Old phenothiazine and dibenzothiadiazepine derivatives for tomorrow's neuroprotective therapies against neurodegenerative diseases. Eur J Med Chem, Volume 45 (12), 2010";ChEMBL
Hesperetin;MM00371;COc1ccc(C2CC(=O)c3c(O)cc(O)cc3O2)cc1O;AIONOLUJZLIMTK-AWEZNQCLSA-N;302.28;2.52;72281;DB01094;6JP;CHEMBL399121;GENER;EPAM;25;0;"<a href=https://www.ebi.ac.uk/chembl/assay_report_card/CHEMBL988140/  target=_blank>CHEMBL988140</a>";;;;;;;;;-4.45;;;;;;;;;;;;"Serra H, Mendes T, Bronze MR, Simplício AL.: Prediction of intestinal absorption and metabolism of pharmacologically active flavones and flavanones. Bioorg Med Chem, Volume 16 (7), 2008";ChEMBL
MM473342;MM473342;COc1cc2c(cc1OC)C(=O)C(CC1CCN(Cc3cccc(C)c3)CC1)C2;QBOHSSFTEGRUFM-UHFFFAOYSA-N;393.53;4.67;;;;;BBB;EPAM;25;0;"<a href=https://www.ebi.ac.uk/chembl/assay_report_card/CHEMBL3870528/  target=_blank>CHEMBL3870528</a>";;;;;;;;;-4.9;;;;;;;;;;;;"Wang ZM, Cai P, Liu QH, Xu DQ, Yang XL, Wu JJ, Kong LY, Wang XB.: Rational modification of donepezil as multifunctional acetylcholinesterase inhibitors for the treatment of Alzheimer's disease. Eur J Med Chem, Volume 123, 2016";ChEMBL
MM471001;MM471001;CSc1nc(Nc2cccc(Cl)c2)c2cnn(CC(Cl)c3ccccc3)c2n1;ZSKSRKTYCCBGOO-UHFFFAOYSA-N;430.36;5.93;23655682;;;CHEMBL400211;GENER;EPAM;25;0;"<a href=https://www.ebi.ac.uk/chembl/assay_report_card/CHEMBL4013498/  target=_blank>CHEMBL4013498</a>";;;;;;;;;-6.59;;;;;;;;;;;;"Vignaroli G, Iovenitti G, Zamperini C, Coniglio F, Calandro P, Molinari A, Fallacara AL, Sartucci A, Calgani A, Colecchia D, Mancini A, Festuccia C, Dreassi E, Valoti M, Musumeci F, Chiariello M, Angelucci A, Botta M, Schenone S.: Prodrugs of Pyrazolo[3,4-d]pyrimidines: From Library Synthesis to Evaluation as Potential Anticancer Agents in an Orthotopic Glioblastoma Model. J Med Chem, Volume 60 (14), 2017";ChEMBL
Digoxin;MM00357;CC1OC(OC2C(O)CC(OC3C(O)CC(OC4CCC5(C)C(CCC6C5CC(O)C5(C)C(C7=CC(=O)OC7)CCC65O)C4)OC3C)OC2C)CC(O)C1O;LTMHDMANZUZIPE-UHFFFAOYSA-N;780.95;2.22;2724385;DB00390;DGX;CHEMBL1751;BBB;EPAM;25;0;"ph = 7.4, <a href=https://www.ebi.ac.uk/chembl/assay_report_card/CHEMBL2342435/  target=_blank>CHEMBL2342435</a>";;;;;;;;;-4.52;;;;;;;;;;;;"Zhang X, Li X, Sun H, Wang X, Zhao L, Gao Y, Liu X, Zhang S, Wang Y, Yang Y, Zeng S, Guo Q, You Q.: Garcinia  xanthones as orally active antitumor agents. J Med Chem, Volume 56 (1), 2013";ChEMBL
MM471791;MM471791;CSc1nc(Nc2ccccc2)c2cnn(CC(Cl)c3ccccc3)c2n1;JYRWBVRMNWJXEK-UHFFFAOYSA-N;395.92;5.27;;;;;GENER;EPAM;25;0;"ph = 7.4, <a href=https://www.ebi.ac.uk/chembl/assay_report_card/CHEMBL1056608/  target=_blank>CHEMBL1056608</a>";;;;;;;;;-5.48;;;;;;;;;;;;"Dreassi E, Zizzari AT, Falchi F, Schenone S, Santucci A, Maga G, Botta M.: Determination of permeability and lipophilicity of pyrazolo-pyrimidine tyrosine kinase inhibitors and correlation with biological data. Eur J Med Chem, Volume 44 (9), 2009";ChEMBL
MM472892;MM472892;Cc1c(-c2cccc(OC3CCN(S(=O)(=O)Cc4ccccc4)CC3)c2)sc(-c2nn[nH]n2)c1OCC(=O)O;NWDNWXYXMBQAPB-UHFFFAOYSA-N;569.67;3.74;44439136;;;CHEMBL401240;GENER;EPAM;25;0;"<a href=https://www.ebi.ac.uk/chembl/assay_report_card/CHEMBL886820/  target=_blank>CHEMBL886820</a>";;;;;;;;;-6.66;;;;;;;;;;;;"Wan ZK, Follows B, Kirincich S, Wilson D, Binnun E, Xu W, Joseph-McCarthy D, Wu J, Smith M, Zhang YL, Tam M, Erbe D, Tam S, Saiah E, Lee J.: Probing acid replacements of thiophene PTP1B inhibitors. Bioorg Med Chem Lett, Volume 17 (10), 2007";ChEMBL
MM473190;MM473190;O=C(CNCCNc1c2c(nc3ccccc13)CCC2)Nc1ccc2c(c1)C(=O)c1cccc3ccnc-2c13;HCQYXICOBMKIRR-UHFFFAOYSA-N;513.6;5.12;56640972;;;CHEMBL1830622;BBB;EPAM;25;0;"<a href=https://www.ebi.ac.uk/chembl/assay_report_card/CHEMBL1833719/  target=_blank>CHEMBL1833719</a>";;;;;;;;;-5.34;;;;;;;;;;;;"Tang H, Zhao LZ, Zhao HT, Huang SL, Zhong SM, Qin JK, Chen ZF, Huang ZS, Liang H.: Hybrids of oxoisoaporphine-tacrine congeners: novel acetylcholinesterase and acetylcholinesterase-induced β-amyloid aggregation inhibitors. Eur J Med Chem, Volume 46 (10), 2011";ChEMBL
Chembl401877;MM469696;CNCc1cc(C(N)=O)ccc1Oc1ccc(Cl)cc1OC;VXYNDBOWMKXSIO-UHFFFAOYSA-N;320.78;2.96;44455677;;;CHEMBL401877;GENER;EPAM;25;0;"<a href=https://www.ebi.ac.uk/chembl/assay_report_card/CHEMBL948901/  target=_blank>CHEMBL948901</a>";;;;;;;;;-4.96;;;;;;;;;;;;"Whitlock GA, Blagg J, Fish PV.: 1-(2-Phenoxyphenyl)methanamines: SAR for dual serotonin/noradrenaline reuptake inhibition, metabolic stability and hERG affinity. Bioorg Med Chem Lett, Volume 18 (2), 2008";ChEMBL
MM473189;MM473189;O=C(CCNCCNc1c2c(nc3ccccc13)CCC2)Nc1ccc2c(c1)C(=O)c1cccc3ccnc-2c13;UKYNTSAWGXWBFQ-UHFFFAOYSA-N;527.63;5.51;56640973;;;CHEMBL1830623;BBB;EPAM;25;0;"<a href=https://www.ebi.ac.uk/chembl/assay_report_card/CHEMBL1833719/  target=_blank>CHEMBL1833719</a>";;;;;;;;;-5.72;;;;;;;;;;;;"Tang H, Zhao LZ, Zhao HT, Huang SL, Zhong SM, Qin JK, Chen ZF, Huang ZS, Liang H.: Hybrids of oxoisoaporphine-tacrine congeners: novel acetylcholinesterase and acetylcholinesterase-induced β-amyloid aggregation inhibitors. Eur J Med Chem, Volume 46 (10), 2011";ChEMBL
MM472895;MM472895;CNCc1cc(C(=O)N(C)C)ccc1Oc1ccc(Cl)cc1OC;YJNSSHGTSILZGM-UHFFFAOYSA-N;348.83;3.56;44449333;;;CHEMBL402345;GENER;EPAM;25;0;"<a href=https://www.ebi.ac.uk/chembl/assay_report_card/CHEMBL948901/  target=_blank>CHEMBL948901</a>";;;;;;;;;-4.82;;;;;;;;;;;;"Whitlock GA, Blagg J, Fish PV.: 1-(2-Phenoxyphenyl)methanamines: SAR for dual serotonin/noradrenaline reuptake inhibition, metabolic stability and hERG affinity. Bioorg Med Chem Lett, Volume 18 (2), 2008";ChEMBL
MM473188;MM473188;O=C(CCNCCCNc1c2c(nc3ccccc13)CCC2)Nc1ccc2c(c1)C(=O)c1cccc3ccnc-2c13;AWJGEENOHURINO-UHFFFAOYSA-N;541.66;5.9;56640974;;;CHEMBL1830624;BBB;EPAM;25;0;"<a href=https://www.ebi.ac.uk/chembl/assay_report_card/CHEMBL1833719/  target=_blank>CHEMBL1833719</a>";;;;;;;;;-5.31;;;;;;;;;;;;"Tang H, Zhao LZ, Zhao HT, Huang SL, Zhong SM, Qin JK, Chen ZF, Huang ZS, Liang H.: Hybrids of oxoisoaporphine-tacrine congeners: novel acetylcholinesterase and acetylcholinesterase-induced β-amyloid aggregation inhibitors. Eur J Med Chem, Volume 46 (10), 2011";ChEMBL
MM473187;MM473187;O=C(CCNCCCCNc1c2c(nc3ccccc13)CCC2)Nc1ccc2c(c1)C(=O)c1cccc3ccnc-2c13;KTMTUPHTVNDPJJ-UHFFFAOYSA-N;555.68;6.29;56640975;;;CHEMBL1830625;BBB;EPAM;25;0;"<a href=https://www.ebi.ac.uk/chembl/assay_report_card/CHEMBL1833719/  target=_blank>CHEMBL1833719</a>";;;;;;;;;-5.62;;;;;;;;;;;;"Tang H, Zhao LZ, Zhao HT, Huang SL, Zhong SM, Qin JK, Chen ZF, Huang ZS, Liang H.: Hybrids of oxoisoaporphine-tacrine congeners: novel acetylcholinesterase and acetylcholinesterase-induced β-amyloid aggregation inhibitors. Eur J Med Chem, Volume 46 (10), 2011";ChEMBL
MM473729;MM473729;Cc1c(Nc2c(C#N)cnc3sc(-c4cccc(CN(C)C)c4)cc23)ccc2[nH]ccc12;CSCOHEYTBLBQMG-UHFFFAOYSA-N;437.57;6.43;25066843;;;CHEMBL402818;GENER;EPAM;25;0;"<a href=https://www.ebi.ac.uk/chembl/assay_report_card/CHEMBL927991/  target=_blank>CHEMBL927991</a>";;;;;;;;;-5.34;;;;;;;;;;;;"Boschelli DH, Wu B, Barrios Sosa AC, Chen J, Asselin M, Cole DC, Lee J, Yang X, Chaudhary D.: Synthesis and PKCtheta inhibitory activity of a series of 4-(indol-5-ylamino)thieno[2,3-b]pyridine-5-carbonitriles. Bioorg Med Chem Lett, Volume 18 (9), 2008";ChEMBL
MM472893;MM472893;CCS(=O)(=O)CCN(C(=O)Cc1ccc(F)c(C(F)(F)F)c1)C(C)c1nc(-c2ccccc2)cn1-c1ccc(C#N)cc1;YCEWYVGKSIYEOE-OAQYLSRUSA-N;612.65;6.14;44455604;;;CHEMBL403036;GENER;EPAM;25;0;"<a href=https://www.ebi.ac.uk/chembl/assay_report_card/CHEMBL932100/  target=_blank>CHEMBL932100</a>";;;;;;;;;-6.05;;;;;;;;;;;;"Du X, Chen X, Mihalic JT, Deignan J, Duquette J, Li AR, Lemon B, Ma J, Miao S, Ebsworth K, Sullivan TJ, Tonn G, Collins TL, Medina JC.: Design and optimization of imidazole derivatives as potent CXCR3 antagonists. Bioorg Med Chem Lett, Volume 18 (2), 2008";ChEMBL
MM473186;MM473186;O=C(CNCCNc1c2c(nc3ccccc13)CCCC2)Nc1ccc2c(c1)C(=O)c1cccc3ccnc-2c13;DIWGQLKDVUAWID-UHFFFAOYSA-N;527.63;5.51;54753804;;;CHEMBL1830626;BBB;EPAM;25;0;"<a href=https://www.ebi.ac.uk/chembl/assay_report_card/CHEMBL1833719/  target=_blank>CHEMBL1833719</a>";;;;;;;;;-5.32;;;;;;;;;;;;"Tang H, Zhao LZ, Zhao HT, Huang SL, Zhong SM, Qin JK, Chen ZF, Huang ZS, Liang H.: Hybrids of oxoisoaporphine-tacrine congeners: novel acetylcholinesterase and acetylcholinesterase-induced β-amyloid aggregation inhibitors. Eur J Med Chem, Volume 46 (10), 2011";ChEMBL
Chembl403090;MM469707;CNCc1cc(N2CCCS2(=O)=O)ccc1Oc1ccc(Cl)cc1C;IDPUQOWVIAMLNB-UHFFFAOYSA-N;380.9;3.7;44455589;;;CHEMBL403090;GENER;EPAM;25;0;"<a href=https://www.ebi.ac.uk/chembl/assay_report_card/CHEMBL948901/  target=_blank>CHEMBL948901</a>";;;;;;;;;-5.57;;;;;;;;;;;;"Whitlock GA, Blagg J, Fish PV.: 1-(2-Phenoxyphenyl)methanamines: SAR for dual serotonin/noradrenaline reuptake inhibition, metabolic stability and hERG affinity. Bioorg Med Chem Lett, Volume 18 (2), 2008";ChEMBL
MM473185;MM473185;O=C(CCNCCNc1c2c(nc3ccccc13)CCCC2)Nc1ccc2c(c1)C(=O)c1cccc3ccnc-2c13;ULABGWUYZRTDHX-UHFFFAOYSA-N;541.66;5.9;54753805;;;CHEMBL1830627;BBB;EPAM;25;0;"<a href=https://www.ebi.ac.uk/chembl/assay_report_card/CHEMBL1833719/  target=_blank>CHEMBL1833719</a>";;;;;;;;;-5.59;;;;;;;;;;;;"Tang H, Zhao LZ, Zhao HT, Huang SL, Zhong SM, Qin JK, Chen ZF, Huang ZS, Liang H.: Hybrids of oxoisoaporphine-tacrine congeners: novel acetylcholinesterase and acetylcholinesterase-induced β-amyloid aggregation inhibitors. Eur J Med Chem, Volume 46 (10), 2011";ChEMBL
MM473184;MM473184;O=C(CCNCCCNc1c2c(nc3ccccc13)CCCC2)Nc1ccc2c(c1)C(=O)c1cccc3ccnc-2c13;DJFVILMGABHEQT-UHFFFAOYSA-N;555.68;6.29;54754172;;;CHEMBL1830628;BBB;EPAM;25;0;"<a href=https://www.ebi.ac.uk/chembl/assay_report_card/CHEMBL1833719/  target=_blank>CHEMBL1833719</a>";;;;;;;;;-5.48;;;;;;;;;;;;"Tang H, Zhao LZ, Zhao HT, Huang SL, Zhong SM, Qin JK, Chen ZF, Huang ZS, Liang H.: Hybrids of oxoisoaporphine-tacrine congeners: novel acetylcholinesterase and acetylcholinesterase-induced β-amyloid aggregation inhibitors. Eur J Med Chem, Volume 46 (10), 2011";ChEMBL
Chlortetracycline;MM00725;CN(C)C1C(=O)C(C(N)=O)=C(O)C2(O)C(=O)C3=C(O)c4c(O)ccc(Cl)c4C(C)(O)C3CC12;DHPRQBPJLMKORJ-XRNKAMNCSA-N;478.89;0.28;54675777;DB09093;CTC;CHEMBL404520;GENER;EPAM;25;0;"ph = 6.5, <a href=https://www.ebi.ac.uk/chembl/assay_report_card/CHEMBL1046150/  target=_blank>CHEMBL1046150</a>";;;;;;;;;-5.43;;;;;;;;;;;;"Tam KY, Avdeef A, Tsinman O, Sun N.: The permeation of amphoteric drugs through artificial membranes--an in combo absorption model based on paracellular and transmembrane permeability. J Med Chem, Volume 53 (1), 392-401, 2010";ChEMBL
MM472186;MM472186;CNC(=O)c1cnc(Nc2ccc(C#N)cc2)cc1NC(c1ccccc1)C(O)CO;ATEXGOLHETZNBF-IRLDBZIGSA-N;417.47;2.56;137634466;;;CHEMBL4059465;GENER;EPAM;25;0;"ph = 7.4, <a href=https://www.ebi.ac.uk/chembl/assay_report_card/CHEMBL4047626/  target=_blank>CHEMBL4047626</a>";;;;;;;;;-5.29;;;;;;;;;;;;"Bhide RS, Keon A, Weigelt C, Sack JS, Schmidt RJ, Lin S, Xiao HY, Spergel SH, Kempson J, Pitts WJ, Carman J, Poss MA.: Discovery and structure-based design of 4,6-diaminonicotinamides as potent and selective IRAK4 inhibitors. Bioorg Med Chem Lett, Volume 27 (21), 2017";ChEMBL
MM473183;MM473183;O=C(CCNCCCCNc1c2c(nc3ccccc13)CCCC2)Nc1ccc2c(c1)C(=O)c1cccc3ccnc-2c13;YBIZIAOYICQADS-UHFFFAOYSA-N;569.71;6.68;56640976;;;CHEMBL1830629;BBB;EPAM;25;0;"<a href=https://www.ebi.ac.uk/chembl/assay_report_card/CHEMBL1833719/  target=_blank>CHEMBL1833719</a>";;;;;;;;;-5.68;;;;;;;;;;;;"Tang H, Zhao LZ, Zhao HT, Huang SL, Zhong SM, Qin JK, Chen ZF, Huang ZS, Liang H.: Hybrids of oxoisoaporphine-tacrine congeners: novel acetylcholinesterase and acetylcholinesterase-induced β-amyloid aggregation inhibitors. Eur J Med Chem, Volume 46 (10), 2011";ChEMBL
MM473182;MM473182;O=C(CNCCNc1c2c(nc3ccccc13)CCCCC2)Nc1ccc2c(c1)C(=O)c1cccc3ccnc-2c13;LOHRAGBTUWVJJT-UHFFFAOYSA-N;541.66;5.9;54753990;;;CHEMBL1830630;BBB;EPAM;25;0;"<a href=https://www.ebi.ac.uk/chembl/assay_report_card/CHEMBL1833719/  target=_blank>CHEMBL1833719</a>";;;;;;;;;-5.4;;;;;;;;;;;;"Tang H, Zhao LZ, Zhao HT, Huang SL, Zhong SM, Qin JK, Chen ZF, Huang ZS, Liang H.: Hybrids of oxoisoaporphine-tacrine congeners: novel acetylcholinesterase and acetylcholinesterase-induced β-amyloid aggregation inhibitors. Eur J Med Chem, Volume 46 (10), 2011";ChEMBL
MM471704;MM471704;O=S1(=Nc2ccc(C(F)(F)F)cc2)CCOCC1;DKKLBNHVTGZEQO-UHFFFAOYSA-N;279.28;2.84;;;;;GENER;EPAM;25;0;"ph = 7.4, <a href=https://www.ebi.ac.uk/chembl/assay_report_card/CHEMBL3992821/  target=_blank>CHEMBL3992821</a>";;;;;;;;;-5.1;;;;;;;;;;;;"Frings M, Bolm C, Blum A, Gnamm C.: Sulfoximines from a Medicinal Chemist's Perspective: Physicochemical and in vitro Parameters Relevant for Drug Discovery. Eur J Med Chem, Volume 126, 2017";ChEMBL
MM471427;MM471427;O=[N+]([O-])c1ccc(-c2ccc(O[C@H]3O[C@H](CO)[C@@H](O)[C@H](O)[C@@H]3O)c(Cl)c2)cc1;SYWUNSNUUBZPLO-ZBRFXRBCSA-N;411.79;1.09;;;;;GENER;EPAM;25;+1,-1;"ph = 7.4, <a href=https://www.ebi.ac.uk/chembl/assay_report_card/CHEMBL4015741/  target=_blank>CHEMBL4015741</a>";;;;;;;;;-5;;;;;;;;;;;;"Mayer K, Eris D, Schwardt O, Sager CP, Rabbani S, Kleeb S, Ernst B.: Urinary Tract Infection: Which Conformation of the Bacterial Lectin FimH Is Therapeutically Relevant? J Med Chem, Volume 60 (13), 2017";ChEMBL
MM473181;MM473181;O=C(CCNCCNc1c2c(nc3ccccc13)CCCCC2)Nc1ccc2c(c1)C(=O)c1cccc3ccnc-2c13;JIGGUHFOHWJPOA-UHFFFAOYSA-N;555.68;6.29;54753991;;;CHEMBL1830631;BBB;EPAM;25;0;"<a href=https://www.ebi.ac.uk/chembl/assay_report_card/CHEMBL1833719/  target=_blank>CHEMBL1833719</a>";;;;;;;;;-5.1;;;;;;;;;;;;"Tang H, Zhao LZ, Zhao HT, Huang SL, Zhong SM, Qin JK, Chen ZF, Huang ZS, Liang H.: Hybrids of oxoisoaporphine-tacrine congeners: novel acetylcholinesterase and acetylcholinesterase-induced β-amyloid aggregation inhibitors. Eur J Med Chem, Volume 46 (10), 2011";ChEMBL
MM474251;MM474251;CSc1nc(N(C(=O)OCCN2CCN(C)CC2)c2cccc(Cl)c2)c2cnn(CCc3ccccc3)c2n1;;566.13;4.97;135202861;;;CHEMBL4059566;GENER;EPAM;25;0;"<a href=https://www.ebi.ac.uk/chembl/assay_report_card/CHEMBL4013498/  target=_blank>CHEMBL4013498</a>";;;;;;;;;-5.33;;;;;;;;;;;;"Vignaroli G, Iovenitti G, Zamperini C, Coniglio F, Calandro P, Molinari A, Fallacara AL, Sartucci A, Calgani A, Colecchia D, Mancini A, Festuccia C, Dreassi E, Valoti M, Musumeci F, Chiariello M, Angelucci A, Botta M, Schenone S.: Prodrugs of Pyrazolo[3,4-d]pyrimidines: From Library Synthesis to Evaluation as Potential Anticancer Agents in an Orthotopic Glioblastoma Model. J Med Chem, Volume 60 (14), 2017";ChEMBL
MM473180;MM473180;O=C(CCNCCCNc1c2c(nc3ccccc13)CCCCC2)Nc1ccc2c(c1)C(=O)c1cccc3ccnc-2c13;USRMGDJTJJOPSG-UHFFFAOYSA-N;569.71;6.68;56641100;;;CHEMBL1830632;BBB;EPAM;25;0;"<a href=https://www.ebi.ac.uk/chembl/assay_report_card/CHEMBL1833719/  target=_blank>CHEMBL1833719</a>";;;;;;;;;-5.05;;;;;;;;;;;;"Tang H, Zhao LZ, Zhao HT, Huang SL, Zhong SM, Qin JK, Chen ZF, Huang ZS, Liang H.: Hybrids of oxoisoaporphine-tacrine congeners: novel acetylcholinesterase and acetylcholinesterase-induced β-amyloid aggregation inhibitors. Eur J Med Chem, Volume 46 (10), 2011";ChEMBL
MM473399;MM473399;Cc1ccccc1-c1nc(CN2CCC(C(=O)NCCCN3CCC(C)CC3)CC2)c(C)o1;VWRQNPQHOUWYTL-UHFFFAOYSA-N;452.64;4.41;66553035;;;CHEMBL4059683;GENER;EPAM;25;0;"<a href=https://www.ebi.ac.uk/chembl/assay_report_card/CHEMBL4039805/  target=_blank>CHEMBL4039805</a>";;;;;;;;;-3.37;;;;;;;;;;;;"He S, Li K, Lin B, Hu Z, Xiao J, Hu X, Wang AQ, Xu X, Ferrer M, Southall N, Zheng W, Aubé J, Schoenen FJ, Marugan JJ, Liang TJ, Frankowski KJ.: Development of an Aryloxazole Class of Hepatitis C Virus Inhibitors Targeting the Entry Stage of the Viral Replication Cycle. J Med Chem, Volume 60 (14), 2017";ChEMBL
MM473179;MM473179;O=C(CCNCCCCNc1c2c(nc3ccccc13)CCCCC2)Nc1ccc2c(c1)C(=O)c1cccc3ccnc-2c13;AZJSQHOYALXJEK-UHFFFAOYSA-N;583.74;7.07;56641101;;;CHEMBL1830633;BBB;EPAM;25;0;"<a href=https://www.ebi.ac.uk/chembl/assay_report_card/CHEMBL1833719/  target=_blank>CHEMBL1833719</a>";;;;;;;;;-5.96;;;;;;;;;;;;"Tang H, Zhao LZ, Zhao HT, Huang SL, Zhong SM, Qin JK, Chen ZF, Huang ZS, Liang H.: Hybrids of oxoisoaporphine-tacrine congeners: novel acetylcholinesterase and acetylcholinesterase-induced β-amyloid aggregation inhibitors. Eur J Med Chem, Volume 46 (10), 2011";ChEMBL
MM473406;MM473406;Cc1ccccc1-c1nc(CN2CCC(C(=O)N3CCN(CCN(C)C)CC3)CC2)c(C)o1;XAENSFXNYCCTGS-UHFFFAOYSA-N;453.63;2.88;66553044;;;CHEMBL4059735;GENER;EPAM;25;0;"<a href=https://www.ebi.ac.uk/chembl/assay_report_card/CHEMBL4039805/  target=_blank>CHEMBL4039805</a>";;;;;;;;;-4.85;;;;;;;;;;;;"He S, Li K, Lin B, Hu Z, Xiao J, Hu X, Wang AQ, Xu X, Ferrer M, Southall N, Zheng W, Aubé J, Schoenen FJ, Marugan JJ, Liang TJ, Frankowski KJ.: Development of an Aryloxazole Class of Hepatitis C Virus Inhibitors Targeting the Entry Stage of the Viral Replication Cycle. J Med Chem, Volume 60 (14), 2017";ChEMBL
MM474588;MM474588;COc1ccc2nccc(OCC(=O)Nc3cc(C)cc(C)c3)c2c1;NJUREIWZHFTTGS-UHFFFAOYSA-N;336.39;3.88;;;;;GENER;EPAM;25;0;"<a href=https://www.ebi.ac.uk/chembl/assay_report_card/CHEMBL4042140/  target=_blank>CHEMBL4042140</a>";;;;;;;;;-4.55;;;;;;;;;;;;"Pitta E, Balabon O, Rogacki MK, Gómez J, Cunningham F, Joosens J, Augustyns K, van der Veken P, Bates R.: Differential characterization using readily accessible NMR experiments of novel N- and O-alkylated quinolin-4-ol, 1,5-naphthyridin-4-ol and quinazolin-4-ol derivatives with antimycobacterial activity. Eur J Med Chem, Volume 125, 2017";ChEMBL
MM471428;MM471428;OCC1OC(Oc2ccc(-c3ccccc3Cl)cc2Cl)C(O)C(O)C1O;DHBPREVJLKDYBG-ZBRFXRBCSA-N;401.24;1.84;137637461;;;CHEMBL4060163;GENER;EPAM;25;0;"ph = 7.4, <a href=https://www.ebi.ac.uk/chembl/assay_report_card/CHEMBL4015741/  target=_blank>CHEMBL4015741</a>";;;;;;;;;-4.4;;;;;;;;;;;;"Mayer K, Eris D, Schwardt O, Sager CP, Rabbani S, Kleeb S, Ernst B.: Urinary Tract Infection: Which Conformation of the Bacterial Lectin FimH Is Therapeutically Relevant? J Med Chem, Volume 60 (13), 2017";ChEMBL
MM472435;MM472435;COc1ccc(C2NC(=O)NC(C)=C2c2nc(-c3ccc(C#N)cc3)cs2)cn1;WBEBINCDHKIBOJ-UHFFFAOYSA-N;403.47;3.87;71504236;;;CHEMBL4060172;GENER;EPAM;25;0;"ph = 7.2, <a href=https://www.ebi.ac.uk/chembl/assay_report_card/CHEMBL4043725/  target=_blank>CHEMBL4043725</a>";;;;;;;;;-7.25;;;;;;;;;;;;"Pagano N, Teriete P, Mattmann ME, Yang L, Snyder BA, Cai Z, Heil ML, Cosford NDP.: An integrated chemical biology approach reveals the mechanism of action of HIV replication inhibitors. Bioorg Med Chem, Volume 25 (23), 2017";ChEMBL
MM471722;MM471722;O=C(c1ccccc1)N1CCc2oc(-c3ccc(F)cn3)nc2C1;FOPJMYBQTFPHTL-UHFFFAOYSA-N;323.33;3.07;74221949;;;CHEMBL4060556;GENER;EPAM;25;0;"ph = 7.4, <a href=https://www.ebi.ac.uk/chembl/assay_report_card/CHEMBL4046794/  target=_blank>CHEMBL4046794</a>";;;;;;;;;-4.46;;;;;;;;;;;;"Hirose W, Kato Y, Natsutani I, Takata M, Kitaichi M, Imai S, Hayashi S, Arai Y, Hoshino K, Yoshida K.: Synthesis and optimization of 4,5,6,7-tetrahydrooxazolo[4,5-c]pyridines as potent and orally-active metabotropic glutamate receptor 5 negative allosteric modulators. Bioorg Med Chem Lett, Volume 27 (18), 2017";ChEMBL
Cephalexin;MM00721;CC1=C(C(=O)O)N2C(=O)C(NC(=O)C(N)c3ccccc3)C2SC1;ZAIPMKNFIOOWCQ-UHFFFAOYSA-N;347.4;0.44;27447;DB00567;;CHEMBL1727;GENER;EPAM;25;0;"ph = 7.4, <a href=https://www.ebi.ac.uk/chembl/assay_report_card/CHEMBL1056608/  target=_blank>CHEMBL1056608</a>";;;;;;;;;-7.82;;;;;;;;;;;;"Dreassi E, Zizzari AT, Falchi F, Schenone S, Santucci A, Maga G, Botta M.: Determination of permeability and lipophilicity of pyrazolo-pyrimidine tyrosine kinase inhibitors and correlation with biological data. Eur J Med Chem, Volume 44 (9), 2009";ChEMBL
MM474597;MM474597;N#CC1(NC(=O)C(Cc2ccc(OC(F)(F)F)c(Cl)c2)NC(=O)c2cnn(-c3ccc(F)nc3)n2)CC1;BOVUCBVHLWEVEP-HNNXBMFYSA-N;537.86;2.87;129164665;;;CHEMBL4060895;GENER;EPAM;25;0;"<a href=https://www.ebi.ac.uk/chembl/assay_report_card/CHEMBL4049106/  target=_blank>CHEMBL4049106</a>";;;;;;;;;-6.54;;;;;;;;;;;;"Giroud M, Kuhn B, Saint-Auret S, Kuratli C, Martin RE, Schuler F, Diederich F, Kaiser M, Brun R, Schirmeister T, Haap W.: 2 H-1,2,3-Triazole-Based Dipeptidyl Nitriles: Potent, Selective, and Trypanocidal Rhodesain Inhibitors by Structure-Based Design. J Med Chem, Volume 61 (8), 2018";ChEMBL
MM474258;MM474258;CSc1nc(N(C(=O)OC(Cc2ccccc2)CN2CCN(C)CC2)c2cccc(Br)c2)c2cnn(CC(C)c3ccccc3)c2n1;;714.73;7.25;137636138;;;CHEMBL4060917;GENER;EPAM;25;0;"<a href=https://www.ebi.ac.uk/chembl/assay_report_card/CHEMBL4013498/  target=_blank>CHEMBL4013498</a>";;;;;;;;;-5.63;;;;;;;;;;;;"Vignaroli G, Iovenitti G, Zamperini C, Coniglio F, Calandro P, Molinari A, Fallacara AL, Sartucci A, Calgani A, Colecchia D, Mancini A, Festuccia C, Dreassi E, Valoti M, Musumeci F, Chiariello M, Angelucci A, Botta M, Schenone S.: Prodrugs of Pyrazolo[3,4-d]pyrimidines: From Library Synthesis to Evaluation as Potential Anticancer Agents in an Orthotopic Glioblastoma Model. J Med Chem, Volume 60 (14), 2017";ChEMBL
MM472359;MM472359;CN(Cc1ccc(CNc2ccnc3cc(Cl)ccc23)cc1)Cc1ccccn1;;402.93;5.53;70920425;;;CHEMBL4061066;GENER;EPAM;25;0;"ph = 4, <a href=https://www.ebi.ac.uk/chembl/assay_report_card/CHEMBL4027134/  target=_blank>CHEMBL4027134</a>";;;;;;;;;-3.85;;;;;;;;;;;;"Joshi MC, Okombo J, Nsumiwa S, Ndove J, Taylor D, Wiesner L, Hunter R, Chibale K, Egan TJ.: 4-Aminoquinoline Antimalarials Containing a Benzylmethylpyridylmethylamine Group Are Active against Drug Resistant Plasmodium falciparum and Exhibit Oral Activity in Mice. J Med Chem, Volume 60 (24), 2017";ChEMBL
MM472359;MM472359;CN(Cc1ccc(CNc2ccnc3cc(Cl)ccc23)cc1)Cc1ccccn1;;402.93;5.53;70920425;;;CHEMBL4061066;GENER;EPAM;25;0;"ph = 6.5, <a href=https://www.ebi.ac.uk/chembl/assay_report_card/CHEMBL4027135/  target=_blank>CHEMBL4027135</a>";;;;;;;;;-4.56;;;;;;;;;;;;"Joshi MC, Okombo J, Nsumiwa S, Ndove J, Taylor D, Wiesner L, Hunter R, Chibale K, Egan TJ.: 4-Aminoquinoline Antimalarials Containing a Benzylmethylpyridylmethylamine Group Are Active against Drug Resistant Plasmodium falciparum and Exhibit Oral Activity in Mice. J Med Chem, Volume 60 (24), 2017";ChEMBL
MM471690;MM471690;O=S1(=Nc2ccc(F)cc2)CCCCC1;TVHRDRBTXXQTFZ-UHFFFAOYSA-N;227.3;3.11;;;;;GENER;EPAM;25;0;"ph = 7.4, <a href=https://www.ebi.ac.uk/chembl/assay_report_card/CHEMBL3992821/  target=_blank>CHEMBL3992821</a>";;;;;;;;;-5.02;;;;;;;;;;;;"Frings M, Bolm C, Blum A, Gnamm C.: Sulfoximines from a Medicinal Chemist's Perspective: Physicochemical and in vitro Parameters Relevant for Drug Discovery. Eur J Med Chem, Volume 126, 2017";ChEMBL
MM472143;MM472143;CNC(=O)NCCS(=O)(=O)NC(=O)c1ccc(Nc2nc(NC3(c4ccc(Cl)cc4)CC3)nc(OCC(F)(F)F)n2)cc1;APPXSAORNVHTLE-UHFFFAOYSA-N;643.05;3.3;68033098;;;CHEMBL4061319;GENER;EPAM;25;0;"ph = 7.4, <a href=https://www.ebi.ac.uk/chembl/assay_report_card/CHEMBL4004073/  target=_blank>CHEMBL4004073</a>";;;;;;;;;-5.4;;;;;;;;;;;;"Mull ES, Sun LQ, Zhao Q, Eggers B, Pokornowski K, Zhai G, Rajamani R, Jenkins S, Kramer M, Wang YK, Fang H, Tenney D, Baldick CJ, Cockett MI, Meanwell NA, Scola PM.: Functionalized triazines as potent HCV entry inhibitors. Bioorg Med Chem Lett, Volume 27 (4), 2017";ChEMBL
MM472146;MM472146;O=S(=O)(Nc1nccs1)c1cc(Cl)c(NCC23CCCN2CCC3)cc1F;;430.96;3.78;;;;CHEMBL4061793;GENER;EPAM;25;0;"ph = 5.5, <a href=https://www.ebi.ac.uk/chembl/assay_report_card/CHEMBL4046489/  target=_blank>CHEMBL4046489</a>";;;;;;;;;-6.1;;;;;;;;;;;;"Wu YJ, Guernon J, McClure A, Luo G, Rajamani R, Ng A, Easton A, Newton A, Bourin C, Parker D, Mosure K, Barnaby O, Soars MG, Knox RJ, Matchett M, Pieschl R, Herrington J, Chen P, Sivarao DV, Bristow LJ, Meanwell NA, Bronson J, Olson R, Thompson LA, Dzierba C.: Discovery of non-zwitterionic aryl sulfonamides as Na<sub>v</sub>1.7 inhibitors with efficacy in preclinical behavioral models and translational measures of nociceptive neuron activation. Bioorg Med Chem, Volume 25 (20), 2017";ChEMBL
MM472146;MM472146;O=S(=O)(Nc1nccs1)c1cc(Cl)c(NCC23CCCN2CCC3)cc1F;;430.96;3.78;;;;CHEMBL4061793;GENER;EPAM;25;0;"ph = 7.4, <a href=https://www.ebi.ac.uk/chembl/assay_report_card/CHEMBL4046490/  target=_blank>CHEMBL4046490</a>";;;;;;;;;-4.85;;;;;;;;;;;;"Wu YJ, Guernon J, McClure A, Luo G, Rajamani R, Ng A, Easton A, Newton A, Bourin C, Parker D, Mosure K, Barnaby O, Soars MG, Knox RJ, Matchett M, Pieschl R, Herrington J, Chen P, Sivarao DV, Bristow LJ, Meanwell NA, Bronson J, Olson R, Thompson LA, Dzierba C.: Discovery of non-zwitterionic aryl sulfonamides as Na<sub>v</sub>1.7 inhibitors with efficacy in preclinical behavioral models and translational measures of nociceptive neuron activation. Bioorg Med Chem, Volume 25 (20), 2017";ChEMBL
MM472146;MM472146;O=S(=O)(Nc1nccs1)c1cc(Cl)c(NCC23CCCN2CCC3)cc1F;;430.96;3.78;;;;CHEMBL4061793;GENER;EPAM;25;0;"ph = 5.5, <a href=https://www.ebi.ac.uk/chembl/assay_report_card/CHEMBL4009761/  target=_blank>CHEMBL4009761</a>";;;;;;;;;-6.1;;;;;;;;;;;;"Wu YJ, Guernon J, Shi J, Ditta J, Robbins KJ, Rajamani R, Easton A, Newton A, Bourin C, Mosure K, Soars MG, Knox RJ, Matchett M, Pieschl RL, Post-Munson DJ, Wang S, Herrington J, Graef J, Newberry K, Bristow LJ, Meanwell NA, Olson R, Thompson LA, Dzierba C.: Development of New Benzenesulfonamides As Potent and Selective Na<sub>v</sub>1.7 Inhibitors for the Treatment of Pain. J Med Chem, Volume 60 (6), 2017";ChEMBL
MM472146;MM472146;O=S(=O)(Nc1nccs1)c1cc(Cl)c(NCC23CCCN2CCC3)cc1F;;430.96;3.78;;;;CHEMBL4061793;GENER;EPAM;25;0;"ph = 7.4, <a href=https://www.ebi.ac.uk/chembl/assay_report_card/CHEMBL4009762/  target=_blank>CHEMBL4009762</a>";;;;;;;;;-4.85;;;;;;;;;;;;"Wu YJ, Guernon J, Shi J, Ditta J, Robbins KJ, Rajamani R, Easton A, Newton A, Bourin C, Mosure K, Soars MG, Knox RJ, Matchett M, Pieschl RL, Post-Munson DJ, Wang S, Herrington J, Graef J, Newberry K, Bristow LJ, Meanwell NA, Olson R, Thompson LA, Dzierba C.: Development of New Benzenesulfonamides As Potent and Selective Na<sub>v</sub>1.7 Inhibitors for the Treatment of Pain. J Med Chem, Volume 60 (6), 2017";ChEMBL
MM472348;MM472348;CCNCCNc1cc(-c2ccc(S(C)(=O)=O)cc2)c(C#N)c2nc3ccccc3n12;;433.54;3.45;137635943;;;CHEMBL4061812;GENER;EPAM;25;0;"ph = 6.5, <a href=https://www.ebi.ac.uk/chembl/assay_report_card/CHEMBL3996779/  target=_blank>CHEMBL3996779</a>";;;;;;;;;-6.7;;;;;;;;;;;;"Singh K, Okombo J, Brunschwig C, Ndubi F, Barnard L, Wilkinson C, Njogu PM, Njoroge M, Laing L, Machado M, Prudêncio M, Reader J, Botha M, Nondaba S, Birkholtz LM, Lauterbach S, Churchyard A, Coetzer TL, Burrows JN, Yeates C, Denti P, Wiesner L, Egan TJ, Wittlin S, Chibale K.: Antimalarial Pyrido[1,2-a]benzimidazoles: Lead Optimization, Parasite Life Cycle Stage Profile, Mechanistic Evaluation, Killing Kinetics, and in Vivo Oral Efficacy in a Mouse Model. J Med Chem, Volume 60 (4), 2017";ChEMBL
MM472432;MM472432;CC1=C(c2nc(-c3ccc(C#N)cc3)cs2)C(c2cc3ccccc3n2C)NC(=O)N1;RHHZFQYMTNDKMQ-UHFFFAOYSA-N;425.52;4.96;71292576;;;CHEMBL4061932;GENER;EPAM;25;0;"ph = 7.2, <a href=https://www.ebi.ac.uk/chembl/assay_report_card/CHEMBL4043725/  target=_blank>CHEMBL4043725</a>";;;;;;;;;-7.05;;;;;;;;;;;;"Pagano N, Teriete P, Mattmann ME, Yang L, Snyder BA, Cai Z, Heil ML, Cosford NDP.: An integrated chemical biology approach reveals the mechanism of action of HIV replication inhibitors. Bioorg Med Chem, Volume 25 (23), 2017";ChEMBL
MM472191;MM472191;CN1CC2CCC(C1)N2C(=O)C12CC1c1cc(F)ccc1-c1c(C3CCCCC3)c3ccc(C(=O)NS(=O)(=O)C(C)(C)C)cc3n1C2;;660.86;6.15;137637546;;;CHEMBL4061940;GENER;EPAM;25;0;"ph = 5.5, <a href=https://www.ebi.ac.uk/chembl/assay_report_card/CHEMBL4056147/  target=_blank>CHEMBL4056147</a>";;;;;;;;;-4.87;;;;;;;;;;;;"Zheng BZ, D'Andrea SV, Hanumegowda U, Knipe JO, Mosure K, Zhuo X, Lemm JA, Liu M, Rigat KL, Wang YK, Fang H, Poronsky C, Cutrone J, Wu DR, Arunachalam PN, Balapragalathan TJ, Arumugam A, Mathur A, Meanwell NA, Gao M, Roberts SB, Kadow JF.: Discovery of BMS-961955, an allosteric inhibitor of the hepatitis C virus NS5B polymerase. Bioorg Med Chem Lett, Volume 27 (15), 2017";ChEMBL
MM472191;MM472191;CN1CC2CCC(C1)N2C(=O)C12CC1c1cc(F)ccc1-c1c(C3CCCCC3)c3ccc(C(=O)NS(=O)(=O)C(C)(C)C)cc3n1C2;;660.86;6.15;137637546;;;CHEMBL4061940;GENER;EPAM;25;0;"ph = 7.4, <a href=https://www.ebi.ac.uk/chembl/assay_report_card/CHEMBL4056148/  target=_blank>CHEMBL4056148</a>";;;;;;;;;-4.62;;;;;;;;;;;;"Zheng BZ, D'Andrea SV, Hanumegowda U, Knipe JO, Mosure K, Zhuo X, Lemm JA, Liu M, Rigat KL, Wang YK, Fang H, Poronsky C, Cutrone J, Wu DR, Arunachalam PN, Balapragalathan TJ, Arumugam A, Mathur A, Meanwell NA, Gao M, Roberts SB, Kadow JF.: Discovery of BMS-961955, an allosteric inhibitor of the hepatitis C virus NS5B polymerase. Bioorg Med Chem Lett, Volume 27 (15), 2017";ChEMBL
5-[2-(tert-butylamino)-1-hydroxyethyl]benzene-1,3-diol;MM00306;CC(C)(C)NCC(O)c1cc(O)cc(O)c1;XWTYSIMOBUGWOL-UHFFFAOYSA-N;225.29;1.52;5403;DB00871;;CHEMBL1760;GENER;EPAM;25;0;"<a href=https://www.ebi.ac.uk/chembl/assay_report_card/CHEMBL1769838/  target=_blank>CHEMBL1769838</a>";;;;;;;;;-6.4;;;;;;;;;;;;"Flaten GE, Kottra G, Stensen W, Isaksen G, Karstad R, Svendsen JS, Daniel H, Svenson J.: In vitro characterization of human peptide transporter hPEPT1 interactions and passive permeation studies of short cationic antimicrobial peptides. J Med Chem, Volume 54 (7), 2011";ChEMBL
MM472197;MM472197;FC1(F)CCC(NCCCCN(CC2Cc3ccccc3CN2)C2CCCc3cccnc32)CC1;;482.66;5.42;137635041;;;CHEMBL4062223;GENER;EPAM;25;0;"ph = 5.5, <a href=https://www.ebi.ac.uk/chembl/assay_report_card/CHEMBL4059169/  target=_blank>CHEMBL4059169</a>";;;;;;;;;-5.77;;;;;;;;;;;;"Miller EJ, Jecs E, Truax VM, Katzman BM, Tahirovic YA, Wilson RJ, Kuo KM, Kim MB, Nguyen HH, Saindane MT, Zhao H, Wang T, Sum CS, Cvijic ME, Schroeder GM, Wilson LJ, Liotta DC.: Discovery of Tetrahydroisoquinoline-Containing CXCR4 Antagonists with Improved in Vitro ADMET Properties. J Med Chem, Volume 61 (3), 2018";ChEMBL
MM472197;MM472197;FC1(F)CCC(NCCCCN(CC2Cc3ccccc3CN2)C2CCCc3cccnc32)CC1;;482.66;5.42;137635041;;;CHEMBL4062223;GENER;EPAM;25;0;"ph = 7.4, <a href=https://www.ebi.ac.uk/chembl/assay_report_card/CHEMBL4059168/  target=_blank>CHEMBL4059168</a>";;;;;;;;;-5.49;;;;;;;;;;;;"Miller EJ, Jecs E, Truax VM, Katzman BM, Tahirovic YA, Wilson RJ, Kuo KM, Kim MB, Nguyen HH, Saindane MT, Zhao H, Wang T, Sum CS, Cvijic ME, Schroeder GM, Wilson LJ, Liotta DC.: Discovery of Tetrahydroisoquinoline-Containing CXCR4 Antagonists with Improved in Vitro ADMET Properties. J Med Chem, Volume 61 (3), 2018";ChEMBL
MM472144;MM472144;CC(C)NC(=O)NCCS(=O)(=O)NC(=O)c1ccc(Nc2nc(NC3(c4ccc(Cl)cc4)CC3)nc(OCC(F)(F)F)n2)cc1;CIYZRNRZDDZVOE-UHFFFAOYSA-N;671.1;4.08;68190641;;;CHEMBL4062404;GENER;EPAM;25;0;"ph = 7.4, <a href=https://www.ebi.ac.uk/chembl/assay_report_card/CHEMBL4004073/  target=_blank>CHEMBL4004073</a>";;;;;;;;;-5.35;;;;;;;;;;;;"Mull ES, Sun LQ, Zhao Q, Eggers B, Pokornowski K, Zhai G, Rajamani R, Jenkins S, Kramer M, Wang YK, Fang H, Tenney D, Baldick CJ, Cockett MI, Meanwell NA, Scola PM.: Functionalized triazines as potent HCV entry inhibitors. Bioorg Med Chem Lett, Volume 27 (4), 2017";ChEMBL
MM474591;MM474591;Cc1cc(C)cc(NC(=O)Cn2ccc(=O)c3ccccc32)c1;INQNUABJHYLRFJ-UHFFFAOYSA-N;306.37;3.26;;;;;GENER;EPAM;25;0;"<a href=https://www.ebi.ac.uk/chembl/assay_report_card/CHEMBL4042140/  target=_blank>CHEMBL4042140</a>";;;;;;;;;-4.35;;;;;;;;;;;;"Pitta E, Balabon O, Rogacki MK, Gómez J, Cunningham F, Joosens J, Augustyns K, van der Veken P, Bates R.: Differential characterization using readily accessible NMR experiments of novel N- and O-alkylated quinolin-4-ol, 1,5-naphthyridin-4-ol and quinazolin-4-ol derivatives with antimycobacterial activity. Eur J Med Chem, Volume 125, 2017";ChEMBL
MM472773;MM472773;CC1(c2ccc(C=CC(=O)O)cc2)c2ccc(O)cc2CCN1c1ccc(F)cc1;NZVCGXAIFBXHCL-YIXHJXPBSA-N;403.45;4.96;118166678;;;CHEMBL4063001;GENER;EPAM;25;0;"<a href=https://www.ebi.ac.uk/chembl/assay_report_card/CHEMBL4011153/  target=_blank>CHEMBL4011153</a>";;;;;;;;;-4.1;;;;;;;;;;;;"Burks HE, Abrams T, Kirby CA, Baird J, Fekete A, Hamann LG, Kim S, Lombardo F, Loo A, Lubicka D, Macchi K, McDonnell DP, Mishina Y, Norris JD, Nunez J, Saran C, Sun Y, Thomsen NM, Wang C, Wang J, Peukert S.: Discovery of an Acrylic Acid Based Tetrahydroisoquinoline as an Orally Bioavailable Selective Estrogen Receptor Degrader for ERα+ Breast Cancer. J Med Chem, Volume 60 (7), 2017";ChEMBL
MM472783;MM472783;CC1(c2ccc(C=CC(=O)O)cc2)c2ccc(O)cc2CCN1c1ccccc1;DWSIEQFRDKUDIW-NTEUORMPSA-N;385.46;4.82;118166813;;;CHEMBL4063616;GENER;EPAM;25;0;"<a href=https://www.ebi.ac.uk/chembl/assay_report_card/CHEMBL4011153/  target=_blank>CHEMBL4011153</a>";;;;;;;;;-4.1;;;;;;;;;;;;"Burks HE, Abrams T, Kirby CA, Baird J, Fekete A, Hamann LG, Kim S, Lombardo F, Loo A, Lubicka D, Macchi K, McDonnell DP, Mishina Y, Norris JD, Nunez J, Saran C, Sun Y, Thomsen NM, Wang C, Wang J, Peukert S.: Discovery of an Acrylic Acid Based Tetrahydroisoquinoline as an Orally Bioavailable Selective Estrogen Receptor Degrader for ERα+ Breast Cancer. J Med Chem, Volume 60 (7), 2017";ChEMBL
MM474266;MM474266;Cc1cc(OCCCc2c3n(c4c(-c5c(C)nn(C)c5C)c(Cl)ccc24)CCCN(c2cc(C(=O)O)cc4c2OCO4)C3=O)cc(C)c1Cl;IPYGEWCBSZWZNU-UHFFFAOYSA-N;703.62;8.07;118406840;;;CHEMBL4063862;GENER;EPAM;25;0;"<a href=https://www.ebi.ac.uk/chembl/assay_report_card/CHEMBL4023197/  target=_blank>CHEMBL4023197</a>";;;;;;;;;-4.2;;;;;;;;;;;;"Shaw S, Bian Z, Zhao B, Tarr JC, Veerasamy N, Jeon KO, Belmar J, Arnold AL, Fogarty SA, Perry E, Sensintaffar JL, Camper DV, Rossanese OW, Lee T, Olejniczak ET, Fesik SW.: Optimization of Potent and Selective Tricyclic Indole Diazepinone Myeloid Cell Leukemia-1 Inhibitors Using Structure-Based Design. J Med Chem, Volume 61 (6), 2018";ChEMBL
Chembl4064193;MM469101;CN1C(C)(C)CC(Nc2cc(F)c(S(=O)(=O)Nc3nccs3)cc2Cl)CC1(C)C;KOZQVDNHYNYMCA-UHFFFAOYSA-N;461.03;4.8;134477143;;;CHEMBL4064193;GENER;EPAM;25;0;"ph = 5.5, <a href=https://www.ebi.ac.uk/chembl/assay_report_card/CHEMBL4009761/  target=_blank>CHEMBL4009761</a>";;;;;;;;;-5.64;;;;;;;;;;;;"Wu YJ, Guernon J, Shi J, Ditta J, Robbins KJ, Rajamani R, Easton A, Newton A, Bourin C, Mosure K, Soars MG, Knox RJ, Matchett M, Pieschl RL, Post-Munson DJ, Wang S, Herrington J, Graef J, Newberry K, Bristow LJ, Meanwell NA, Olson R, Thompson LA, Dzierba C.: Development of New Benzenesulfonamides As Potent and Selective Na<sub>v</sub>1.7 Inhibitors for the Treatment of Pain. J Med Chem, Volume 60 (6), 2017";ChEMBL
Chembl4064193;MM469101;CN1C(C)(C)CC(Nc2cc(F)c(S(=O)(=O)Nc3nccs3)cc2Cl)CC1(C)C;KOZQVDNHYNYMCA-UHFFFAOYSA-N;461.03;4.8;134477143;;;CHEMBL4064193;GENER;EPAM;25;0;"ph = 7.4, <a href=https://www.ebi.ac.uk/chembl/assay_report_card/CHEMBL4009762/  target=_blank>CHEMBL4009762</a>";;;;;;;;;-4.62;;;;;;;;;;;;"Wu YJ, Guernon J, Shi J, Ditta J, Robbins KJ, Rajamani R, Easton A, Newton A, Bourin C, Mosure K, Soars MG, Knox RJ, Matchett M, Pieschl RL, Post-Munson DJ, Wang S, Herrington J, Graef J, Newberry K, Bristow LJ, Meanwell NA, Olson R, Thompson LA, Dzierba C.: Development of New Benzenesulfonamides As Potent and Selective Na<sub>v</sub>1.7 Inhibitors for the Treatment of Pain. J Med Chem, Volume 60 (6), 2017";ChEMBL
MM473391;MM473391;COc1cccc(Nc2cc(-c3ccccc3)nc3c2C(=O)NCC3)c1;PBJZBHKLXZKPND-UHFFFAOYSA-N;345.4;3.79;;;;;GENER;EPAM;25;0;"<a href=https://www.ebi.ac.uk/chembl/assay_report_card/CHEMBL4038065/  target=_blank>CHEMBL4038065</a>";;;;;;;;;-5.7;;;;;;;;;;;;"Roberts RS, Sevilla S, Ferrer M, Taltavull J, Hernández B, Segarra V, Gràcia J, Lehner MD, Gavaldà A, Andrés M, Cabedo J, Vilella D, Eichhorn P, Calama E, Carcasona C, Miralpeix M.: 4-Amino-7,8-dihydro-1,6-naphthyridin-5(6 H)-ones as Inhaled Phosphodiesterase Type 4 (PDE4) Inhibitors: Structural Biology and Structure-Activity Relationships. J Med Chem, Volume 61 (6), 2018";ChEMBL
MM474595;MM474595;COc1ccc2nc(C)n(CC(=O)Nc3cc(C)cc(C)c3)c(=O)c2c1;GFJIKFMUSKDBHH-UHFFFAOYSA-N;351.41;2.97;;;;;GENER;EPAM;25;0;"<a href=https://www.ebi.ac.uk/chembl/assay_report_card/CHEMBL4042140/  target=_blank>CHEMBL4042140</a>";;;;;;;;;-4.24;;;;;;;;;;;;"Pitta E, Balabon O, Rogacki MK, Gómez J, Cunningham F, Joosens J, Augustyns K, van der Veken P, Bates R.: Differential characterization using readily accessible NMR experiments of novel N- and O-alkylated quinolin-4-ol, 1,5-naphthyridin-4-ol and quinazolin-4-ol derivatives with antimycobacterial activity. Eur J Med Chem, Volume 125, 2017";ChEMBL
MM472154;MM472154;CC(=O)N1CCN(c2cc(-c3cc(C(F)(F)F)c4c(N)ncnn34)ccc2C#N)C(=O)C1(C)C;ZDXIDBRGTYDHBQ-UHFFFAOYSA-N;471.44;2.84;132220479;;;CHEMBL4064666;GENER;EPAM;25;0;"ph = 7.4, <a href=https://www.ebi.ac.uk/chembl/assay_report_card/CHEMBL4016649/  target=_blank>CHEMBL4016649</a>";;;;;;;;;-4.23;;;;;;;;;;;;"Liu Q, Shi Q, Marcoux D, Batt DG, Cornelius L, Qin LY, Ruan Z, Neels J, Beaudoin-Bertrand M, Srivastava AS, Li L, Cherney RJ, Gong H, Watterson SH, Weigelt C, Gillooly KM, McIntyre KW, Xie JH, Obermeier MT, Fura A, Sleczka B, Stefanski K, Fancher RM, Padmanabhan S, Rp T, Kundu I, Rajareddy K, Smith R, Hennan JK, Xing D, Fan J, Levesque PC, Ruan Q, Pitt S, Zhang R, Pedicord D, Pan J, Yarde M, Lu H, Lippy J, Goldstine C, Skala S, Rampulla RA, Mathur A, Gupta A, Arunachalam PN, Sack JS, Muckelbauer JK, Cvijic ME, Salter-Cid LM, Bhide RS, Poss MA, Hynes J, Carter PH, Macor JE, Ruepp S, Schieven GL, Tino JA.: Identification of a Potent, Selective, and Efficacious Phosphatidylinositol 3-Kinase δ (PI3Kδ) Inhibitor for the Treatment of Immunological Disorders. J Med Chem, Volume 60 (12), 2017";ChEMBL
MM473370;MM473370;COC(=O)C1=C(CN2CCOCC2C(=O)O)NC(c2nccs2)=NC1c1ccc(F)cc1Cl;QJLRUAVQNXTCMO-RDJZCZTQSA-N;494.93;2.24;89996234;;;CHEMBL4064672;GENER;EPAM;25;0;"<a href=https://www.ebi.ac.uk/chembl/assay_report_card/CHEMBL4011436/  target=_blank>CHEMBL4011436</a>";;;;;;;;;-5.85;;;;;;;;;;;;"Qiu Z, Lin X, Zhang W, Zhou M, Guo L, Kocer B, Wu G, Zhang Z, Liu H, Shi H, Kou B, Hu T, Hu Y, Huang M, Yan SF, Xu Z, Zhou Z, Qin N, Wang YF, Ren S, Qiu H, Zhang Y, Zhang Y, Wu X, Sun K, Zhong S, Xie J, Ottaviani G, Zhou Y, Zhu L, Tian X, Shi L, Shen F, Mao Y, Zhou X, Gao L, Young JAT, Wu JZ, Yang G, Mayweg AV, Shen HC, Tang G, Zhu W.: Discovery and Pre-Clinical Characterization of Third-Generation 4-H Heteroaryldihydropyrimidine (HAP) Analogues as Hepatitis B Virus (HBV) Capsid Inhibitors. J Med Chem, Volume 60 (8), 2017";ChEMBL
MM472780;MM472780;Cc1nnc(C=Cc2ccc(C3(C)c4ccc(O)cc4CCN3c3ccc(F)cc3)cc2)o1;BIYDFHJZBMADSS-LHHJGKSTSA-N;441.51;5.72;118166720;;;CHEMBL4064677;GENER;EPAM;25;0;"<a href=https://www.ebi.ac.uk/chembl/assay_report_card/CHEMBL4011153/  target=_blank>CHEMBL4011153</a>";;;;;;;;;-4;;;;;;;;;;;;"Burks HE, Abrams T, Kirby CA, Baird J, Fekete A, Hamann LG, Kim S, Lombardo F, Loo A, Lubicka D, Macchi K, McDonnell DP, Mishina Y, Norris JD, Nunez J, Saran C, Sun Y, Thomsen NM, Wang C, Wang J, Peukert S.: Discovery of an Acrylic Acid Based Tetrahydroisoquinoline as an Orally Bioavailable Selective Estrogen Receptor Degrader for ERα+ Breast Cancer. J Med Chem, Volume 60 (7), 2017";ChEMBL
MM472130;MM472130;Cc1ccccc1S(=O)(=O)NC(=O)c1ccc(Nc2nc(NC3(c4ccc(Cl)cc4)CC3)nc(OCC(F)(F)F)n2)cc1;BVPUQVHCWSINBC-UHFFFAOYSA-N;633.05;5.74;68189929;;;CHEMBL4064679;GENER;EPAM;25;0;"ph = 7.4, <a href=https://www.ebi.ac.uk/chembl/assay_report_card/CHEMBL4004073/  target=_blank>CHEMBL4004073</a>";;;;;;;;;-4.58;;;;;;;;;;;;"Mull ES, Sun LQ, Zhao Q, Eggers B, Pokornowski K, Zhai G, Rajamani R, Jenkins S, Kramer M, Wang YK, Fang H, Tenney D, Baldick CJ, Cockett MI, Meanwell NA, Scola PM.: Functionalized triazines as potent HCV entry inhibitors. Bioorg Med Chem Lett, Volume 27 (4), 2017";ChEMBL
MM472178;MM472178;O=S(=O)(Nc1nccs1)c1cc(Cl)c(NCCC2CCOCC2)cc1F;;419.93;3.97;;;;CHEMBL4064762;GENER;EPAM;25;0;"ph = 5.5, <a href=https://www.ebi.ac.uk/chembl/assay_report_card/CHEMBL4046489/  target=_blank>CHEMBL4046489</a>";;;;;;;;;-3.95;;;;;;;;;;;;"Wu YJ, Guernon J, McClure A, Luo G, Rajamani R, Ng A, Easton A, Newton A, Bourin C, Parker D, Mosure K, Barnaby O, Soars MG, Knox RJ, Matchett M, Pieschl R, Herrington J, Chen P, Sivarao DV, Bristow LJ, Meanwell NA, Bronson J, Olson R, Thompson LA, Dzierba C.: Discovery of non-zwitterionic aryl sulfonamides as Na<sub>v</sub>1.7 inhibitors with efficacy in preclinical behavioral models and translational measures of nociceptive neuron activation. Bioorg Med Chem, Volume 25 (20), 2017";ChEMBL
MM472178;MM472178;O=S(=O)(Nc1nccs1)c1cc(Cl)c(NCCC2CCOCC2)cc1F;;419.93;3.97;;;;CHEMBL4064762;GENER;EPAM;25;0;"ph = 7.4, <a href=https://www.ebi.ac.uk/chembl/assay_report_card/CHEMBL4046490/  target=_blank>CHEMBL4046490</a>";;;;;;;;;-4.13;;;;;;;;;;;;"Wu YJ, Guernon J, McClure A, Luo G, Rajamani R, Ng A, Easton A, Newton A, Bourin C, Parker D, Mosure K, Barnaby O, Soars MG, Knox RJ, Matchett M, Pieschl R, Herrington J, Chen P, Sivarao DV, Bristow LJ, Meanwell NA, Bronson J, Olson R, Thompson LA, Dzierba C.: Discovery of non-zwitterionic aryl sulfonamides as Na<sub>v</sub>1.7 inhibitors with efficacy in preclinical behavioral models and translational measures of nociceptive neuron activation. Bioorg Med Chem, Volume 25 (20), 2017";ChEMBL
MM471698;MM471698;CS(C)(=O)=Nc1ccc(C(F)(F)F)cc1;ACQYNKOCIXEMKJ-UHFFFAOYSA-N;237.25;3.06;;;;;GENER;EPAM;25;0;"ph = 7.4, <a href=https://www.ebi.ac.uk/chembl/assay_report_card/CHEMBL3992821/  target=_blank>CHEMBL3992821</a>";;;;;;;;;-5.09;;;;;;;;;;;;"Frings M, Bolm C, Blum A, Gnamm C.: Sulfoximines from a Medicinal Chemist's Perspective: Physicochemical and in vitro Parameters Relevant for Drug Discovery. Eur J Med Chem, Volume 126, 2017";ChEMBL
MM474273;MM474273;COc1c(CCc2ccc(NS(C)(=O)=O)cc2)cc(N2CCC(=O)NC2=O)cc1C(C)(C)C;FNCXOQVFRIJGCX-UHFFFAOYSA-N;473.6;3.6;25234729;;;CHEMBL4064902;GENER;EPAM;25;0;"<a href=https://www.ebi.ac.uk/chembl/assay_report_card/CHEMBL4028508/  target=_blank>CHEMBL4028508</a>";;;;;;;;;-5.39;;;;;;;;;;;;"Randolph JT, Krueger AC, Donner PL, Pratt JK, Liu D, Motter CE, Rockway TW, Tufano MD, Wagner R, Lim HB, Beyer JM, Mondal R, Panchal NS, Colletti L, Liu Y, Koev G, Kati WM, Hernandez LE, Beno DWA, Longenecker KL, Stewart KD, Dumas EO, Molla A, Maring CJ.: Synthesis and Biological Characterization of Aryl Uracil Inhibitors of Hepatitis C Virus NS5B Polymerase: Discovery of ABT-072, a trans-Stilbene Analog with Good Oral Bioavailability. J Med Chem, Volume 61 (3), 2018";ChEMBL
MM472155;MM472155;O=C1Nc2cc(=O)n(Cc3ccccc3)cc2CN1c1cccc(OCc2ccccc2)c1;BHMKGMWMMMZMJN-UHFFFAOYSA-N;437.5;5.03;137348721;;;CHEMBL4065018;GENER;EPAM;25;0;"ph = 7.4, <a href=https://www.ebi.ac.uk/chembl/assay_report_card/CHEMBL4017295/  target=_blank>CHEMBL4017295</a>";;;;;;;;;-4.51;;;;;;;;;;;;"Iwatani-Yoshihara M, Ito M, Klein MG, Yamamoto T, Yonemori K, Tanaka T, Miwa M, Morishita D, Endo S, Tjhen R, Qin L, Nakanishi A, Maezaki H, Kawamoto T.: Discovery of Allosteric Inhibitors Targeting the Spliceosomal RNA Helicase Brr2. J Med Chem, Volume 60 (13), 2017";ChEMBL
MM474272;MM474272;"COc1c(/C=C(\C)c2ccc([N+](=O)[O-])cc2)cc(N2CCC(=O)NC2=O)cc1C(C)(C)C";WOCXMPVSZIXTTL-NTCAYCPXSA-N;437.5;4.91;;;;;GENER;EPAM;25;+1,-1;"<a href=https://www.ebi.ac.uk/chembl/assay_report_card/CHEMBL4028508/  target=_blank>CHEMBL4028508</a>";;;;;;;;;-6.24;;;;;;;;;;;;"Randolph JT, Krueger AC, Donner PL, Pratt JK, Liu D, Motter CE, Rockway TW, Tufano MD, Wagner R, Lim HB, Beyer JM, Mondal R, Panchal NS, Colletti L, Liu Y, Koev G, Kati WM, Hernandez LE, Beno DWA, Longenecker KL, Stewart KD, Dumas EO, Molla A, Maring CJ.: Synthesis and Biological Characterization of Aryl Uracil Inhibitors of Hepatitis C Virus NS5B Polymerase: Discovery of ABT-072, a trans-Stilbene Analog with Good Oral Bioavailability. J Med Chem, Volume 61 (3), 2018";ChEMBL
MM473383;MM473383;Cc1ncn(-c2ccc(C(=O)NC3CCN(c4ncc(Cl)c5c(N)noc45)C3)c(Cl)c2)n1;UHUFYIGHVDRSKL-LLVKDONJSA-N;473.32;3.01;118456950;;;CHEMBL4065316;GENER;EPAM;25;0;"<a href=https://www.ebi.ac.uk/chembl/assay_report_card/CHEMBL4018087/  target=_blank>CHEMBL4018087</a>";;;;;;;;;-4.94;;;;;;;;;;;;"Sakurada I, Endo T, Hikita K, Hirabayashi T, Hosaka Y, Kato Y, Maeda Y, Matsumoto S, Mizuno T, Nagasue H, Nishimura T, Shimada S, Shinozaki M, Taguchi K, Takeuchi K, Yokoyama T, Hruza A, Reichert P, Zhang T, Wood HB, Nakao K, Furusako S.: Discovery of novel aminobenzisoxazole derivatives as orally available factor IXa inhibitors. Bioorg Med Chem Lett, Volume 27 (11), 2017";ChEMBL
MM474601;MM474601;CC(C)(C)n1ncc(C(=O)NC(Cc2ccc(OC(F)(F)F)c(Cl)c2)C(=O)NC2(C#N)CC2)n1;BTDDMUHPSLOMLQ-AWEZNQCLSA-N;498.89;3.1;129178830;;;CHEMBL4065483;GENER;EPAM;25;0;"<a href=https://www.ebi.ac.uk/chembl/assay_report_card/CHEMBL4049106/  target=_blank>CHEMBL4049106</a>";;;;;;;;;-5.54;;;;;;;;;;;;"Giroud M, Kuhn B, Saint-Auret S, Kuratli C, Martin RE, Schuler F, Diederich F, Kaiser M, Brun R, Schirmeister T, Haap W.: 2 H-1,2,3-Triazole-Based Dipeptidyl Nitriles: Potent, Selective, and Trypanocidal Rhodesain Inhibitors by Structure-Based Design. J Med Chem, Volume 61 (8), 2018";ChEMBL
MM474279;MM474279;CC(=O)c1cc(-c2cc(C(=O)NC3CC3)ccc2C)c2ncccn12;RPBMXJHQYJLPDN-UHFFFAOYSA-N;333.39;3.4;123773279;;;CHEMBL4065619;GENER;EPAM;25;0;"<a href=https://www.ebi.ac.uk/chembl/assay_report_card/CHEMBL4052887/  target=_blank>CHEMBL4052887</a>";;;;;;;;;-4.84;;;;;;;;;;;;"Teuscher KB, Zhang M, Ji H.: A Versatile Method to Determine the Cellular Bioavailability of Small-Molecule Inhibitors. J Med Chem, Volume 60 (1), 2017";ChEMBL
MM472182;MM472182;CNC(=O)c1cnc(Nc2ccc3c(c2)CC(=O)N3)cc1NC(c1ccccc1)C(O)CO;BDBIZNXKVNHNGQ-OFNKIYASSA-N;447.5;2.19;137634304;;;CHEMBL4065667;GENER;EPAM;25;0;"ph = 7.4, <a href=https://www.ebi.ac.uk/chembl/assay_report_card/CHEMBL4047626/  target=_blank>CHEMBL4047626</a>";;;;;;;;;-6.22;;;;;;;;;;;;"Bhide RS, Keon A, Weigelt C, Sack JS, Schmidt RJ, Lin S, Xiao HY, Spergel SH, Kempson J, Pitts WJ, Carman J, Poss MA.: Discovery and structure-based design of 4,6-diaminonicotinamides as potent and selective IRAK4 inhibitors. Bioorg Med Chem Lett, Volume 27 (21), 2017";ChEMBL
MM472137;MM472137;CC(C)NCCS(=O)(=O)NC(=O)c1ccc(Nc2nc(NC3(c4ccc(Cl)cc4)CC3)nc(OCC(F)(F)F)n2)cc1;JPINTVTXHZKUCM-UHFFFAOYSA-N;628.08;4.37;68190669;;;CHEMBL4065715;GENER;EPAM;25;0;"ph = 7.4, <a href=https://www.ebi.ac.uk/chembl/assay_report_card/CHEMBL4004073/  target=_blank>CHEMBL4004073</a>";;;;;;;;;-5.35;;;;;;;;;;;;"Mull ES, Sun LQ, Zhao Q, Eggers B, Pokornowski K, Zhai G, Rajamani R, Jenkins S, Kramer M, Wang YK, Fang H, Tenney D, Baldick CJ, Cockett MI, Meanwell NA, Scola PM.: Functionalized triazines as potent HCV entry inhibitors. Bioorg Med Chem Lett, Volume 27 (4), 2017";ChEMBL
MM472776;MM472776;CC1(c2ccc(C=CC(=O)NCC(F)F)cc2)c2ccc(O)cc2CCN1c1ccc(F)cc1;VGURYIFDOXQWCN-YIXHJXPBSA-N;466.5;5.25;118184700;;;CHEMBL4065761;GENER;EPAM;25;0;"<a href=https://www.ebi.ac.uk/chembl/assay_report_card/CHEMBL4011153/  target=_blank>CHEMBL4011153</a>";;;;;;;;;-4.2;;;;;;;;;;;;"Burks HE, Abrams T, Kirby CA, Baird J, Fekete A, Hamann LG, Kim S, Lombardo F, Loo A, Lubicka D, Macchi K, McDonnell DP, Mishina Y, Norris JD, Nunez J, Saran C, Sun Y, Thomsen NM, Wang C, Wang J, Peukert S.: Discovery of an Acrylic Acid Based Tetrahydroisoquinoline as an Orally Bioavailable Selective Estrogen Receptor Degrader for ERα+ Breast Cancer. J Med Chem, Volume 60 (7), 2017";ChEMBL
MM474600;MM474600;CC(C)n1ncc(C(=O)NC(Cc2ccc(OC(F)(F)F)c(Cl)c2)C(=O)NC2(C#N)CC2)n1;NFWSPCREWNOVLH-AWEZNQCLSA-N;484.87;2.92;129164699;;;CHEMBL4065829;GENER;EPAM;25;0;"<a href=https://www.ebi.ac.uk/chembl/assay_report_card/CHEMBL4049106/  target=_blank>CHEMBL4049106</a>";;;;;;;;;-6.86;;;;;;;;;;;;"Giroud M, Kuhn B, Saint-Auret S, Kuratli C, Martin RE, Schuler F, Diederich F, Kaiser M, Brun R, Schirmeister T, Haap W.: 2 H-1,2,3-Triazole-Based Dipeptidyl Nitriles: Potent, Selective, and Trypanocidal Rhodesain Inhibitors by Structure-Based Design. J Med Chem, Volume 61 (8), 2018";ChEMBL
MM472171;MM472171;CCOC(=O)CCNc1cc(Nc2ccc3[nH]c(=O)[nH]c3c2)c(Cl)cc1[N+](=O)[O-];YWQQQESBZWBLHQ-UHFFFAOYSA-N;419.83;3.53;;;;;GENER;EPAM;25;+1,-1;"ph = 7.4, <a href=https://www.ebi.ac.uk/chembl/assay_report_card/CHEMBL4044892/  target=_blank>CHEMBL4044892</a>";;;;;;;;;-4.82;;;;;;;;;;;;"Yasui T, Yamamoto T, Sakai N, Asano K, Takai T, Yoshitomi Y, Davis M, Takagi T, Sakamoto K, Sogabe S, Kamada Y, Lane W, Snell G, Iwata M, Goto M, Inooka H, Sakamoto JI, Nakada Y, Imaeda Y.: Discovery of a novel B-cell lymphoma 6 (BCL6)-corepressor interaction inhibitor by utilizing structure-based drug design. Bioorg Med Chem, Volume 25 (17), 2017";ChEMBL
MM473387;MM473387;COc1ccc2c(c1)O[C@H](c1ccc(OC)c(OC)c1)C[C@@H]2NC(=O)C1(c2ccc3c(c2)OC(F)(F)O3)CC1;KDOQEEMQPHIANX-REWPJTCUSA-N;539.53;5.45;;;;;GENER;EPAM;25;0;"<a href=https://www.ebi.ac.uk/chembl/assay_report_card/CHEMBL4022900/  target=_blank>CHEMBL4022900</a>";;;;;;;;;-6.52;;;;;;;;;;;;"Wang X, Liu B, Searle X, Yeung C, Bogdan A, Greszler S, Singh A, Fan Y, Swensen AM, Vortherms T, Balut C, Jia Y, Desino K, Gao W, Yong H, Tse C, Kym P.: Discovery of 4-[(2R,4R)-4-({[1-(2,2-Difluoro-1,3-benzodioxol-5-yl)cyclopropyl]carbonyl}amino)-7-(difluoromethoxy)-3,4-dihydro-2H-chromen-2-yl]benzoic Acid (ABBV/GLPG-2222), a Potent Cystic Fibrosis Transmembrane Conductance Regulator (CFTR) Corrector for the Treatment of Cystic Fibrosis. J Med Chem, Volume 61 (4), 2018";ChEMBL
MM474260;MM474260;Cc1cc(OCCCc2c(C(=O)Nc3ccc(C(=O)O)o3)[nH]c3c(-c4c(C)nn(C)c4C)c(Cl)ccc23)cc(C)c1Cl;HKIVCPFWGABZSS-UHFFFAOYSA-N;609.51;7.66;118394929;;;CHEMBL4066379;GENER;EPAM;25;0;"<a href=https://www.ebi.ac.uk/chembl/assay_report_card/CHEMBL4023197/  target=_blank>CHEMBL4023197</a>";;;;;;;;;-5.64;;;;;;;;;;;;"Shaw S, Bian Z, Zhao B, Tarr JC, Veerasamy N, Jeon KO, Belmar J, Arnold AL, Fogarty SA, Perry E, Sensintaffar JL, Camper DV, Rossanese OW, Lee T, Olejniczak ET, Fesik SW.: Optimization of Potent and Selective Tricyclic Indole Diazepinone Myeloid Cell Leukemia-1 Inhibitors Using Structure-Based Design. J Med Chem, Volume 61 (6), 2018";ChEMBL
MM473377;MM473377;Nc1noc2c(N3CCC(NC(=O)c4ccc(-n5cnc6ncccc65)cc4Cl)C3)ncc(Cl)c12;RPLIFPNYAMSMJY-GFCCVEGCSA-N;509.36;3.85;118456931;;;CHEMBL4066380;GENER;EPAM;25;0;"<a href=https://www.ebi.ac.uk/chembl/assay_report_card/CHEMBL4018087/  target=_blank>CHEMBL4018087</a>";;;;;;;;;-5.51;;;;;;;;;;;;"Sakurada I, Endo T, Hikita K, Hirabayashi T, Hosaka Y, Kato Y, Maeda Y, Matsumoto S, Mizuno T, Nagasue H, Nishimura T, Shimada S, Shinozaki M, Taguchi K, Takeuchi K, Yokoyama T, Hruza A, Reichert P, Zhang T, Wood HB, Nakao K, Furusako S.: Discovery of novel aminobenzisoxazole derivatives as orally available factor IXa inhibitors. Bioorg Med Chem Lett, Volume 27 (11), 2017";ChEMBL
MM471566;MM471566;Fc1ccc(CNc2ncnc3c2cnn3CC(Cl)c2ccc(Cl)cc2)cc1;QNYNFUREPOMYSY-UHFFFAOYSA-N;416.29;5.21;24802574;;;CHEMBL406658;GENER;EPAM;25;0;"ph = 7.4, <a href=https://www.ebi.ac.uk/chembl/assay_report_card/CHEMBL1775364/  target=_blank>CHEMBL1775364</a>";;;;;;;;;-4.78;;;;;;;;;;;;"Radi M, Dreassi E, Brullo C, Crespan E, Tintori C, Bernardo V, Valoti M, Zamperini C, Daigl H, Musumeci F, Carraro F, Naldini A, Filippi I, Maga G, Schenone S, Botta M.: Design, synthesis, biological activity, and ADME properties of pyrazolo[3,4-d]pyrimidines active in hypoxic human leukemia cells: a lead optimization study. J Med Chem, Volume 54 (8), 2011";ChEMBL
MM472128;MM472128;CC(C)S(=O)(=O)NC(=O)c1ccc(Nc2nc(NC3(c4ccc(Cl)cc4)CC3)nc(OCC(F)(F)F)n2)cc1;ULPBFZOWIQBKGB-UHFFFAOYSA-N;585.01;4.78;68033152;;;CHEMBL4066727;GENER;EPAM;25;0;"ph = 7.4, <a href=https://www.ebi.ac.uk/chembl/assay_report_card/CHEMBL4004073/  target=_blank>CHEMBL4004073</a>";;;;;;;;;-5.51;;;;;;;;;;;;"Mull ES, Sun LQ, Zhao Q, Eggers B, Pokornowski K, Zhai G, Rajamani R, Jenkins S, Kramer M, Wang YK, Fang H, Tenney D, Baldick CJ, Cockett MI, Meanwell NA, Scola PM.: Functionalized triazines as potent HCV entry inhibitors. Bioorg Med Chem Lett, Volume 27 (4), 2017";ChEMBL
MM471691;MM471691;N#Cc1ccc(N=S2(=O)CCCCC2)cc1;FSRPJVGBTFHEMC-UHFFFAOYSA-N;234.32;2.84;;;;;GENER;EPAM;25;0;"ph = 7.4, <a href=https://www.ebi.ac.uk/chembl/assay_report_card/CHEMBL3992821/  target=_blank>CHEMBL3992821</a>";;;;;;;;;-5.1;;;;;;;;;;;;"Frings M, Bolm C, Blum A, Gnamm C.: Sulfoximines from a Medicinal Chemist's Perspective: Physicochemical and in vitro Parameters Relevant for Drug Discovery. Eur J Med Chem, Volume 126, 2017";ChEMBL
MM472190;MM472190;CN1CC2CCC(C1)N2C(=O)C12CC1c1cc(F)ccc1-c1c(C3CCCCC3)c3ccc(C(=O)NS(=O)(=O)C4(C)CC4)cc3n1C2;;658.84;5.9;71548918;;;CHEMBL4067852;GENER;EPAM;25;0;"ph = 5.5, <a href=https://www.ebi.ac.uk/chembl/assay_report_card/CHEMBL4056147/  target=_blank>CHEMBL4056147</a>";;;;;;;;;-4.28;;;;;;;;;;;;"Zheng BZ, D'Andrea SV, Hanumegowda U, Knipe JO, Mosure K, Zhuo X, Lemm JA, Liu M, Rigat KL, Wang YK, Fang H, Poronsky C, Cutrone J, Wu DR, Arunachalam PN, Balapragalathan TJ, Arumugam A, Mathur A, Meanwell NA, Gao M, Roberts SB, Kadow JF.: Discovery of BMS-961955, an allosteric inhibitor of the hepatitis C virus NS5B polymerase. Bioorg Med Chem Lett, Volume 27 (15), 2017";ChEMBL
MM472190;MM472190;CN1CC2CCC(C1)N2C(=O)C12CC1c1cc(F)ccc1-c1c(C3CCCCC3)c3ccc(C(=O)NS(=O)(=O)C4(C)CC4)cc3n1C2;;658.84;5.9;71548918;;;CHEMBL4067852;GENER;EPAM;25;0;"ph = 7.4, <a href=https://www.ebi.ac.uk/chembl/assay_report_card/CHEMBL4056148/  target=_blank>CHEMBL4056148</a>";;;;;;;;;-4.23;;;;;;;;;;;;"Zheng BZ, D'Andrea SV, Hanumegowda U, Knipe JO, Mosure K, Zhuo X, Lemm JA, Liu M, Rigat KL, Wang YK, Fang H, Poronsky C, Cutrone J, Wu DR, Arunachalam PN, Balapragalathan TJ, Arumugam A, Mathur A, Meanwell NA, Gao M, Roberts SB, Kadow JF.: Discovery of BMS-961955, an allosteric inhibitor of the hepatitis C virus NS5B polymerase. Bioorg Med Chem Lett, Volume 27 (15), 2017";ChEMBL
MM473401;MM473401;Cc1ccccc1-c1nc(CN2CCC(C(=O)NCCCN3CC4CCCC(C4)C3)CC2)c(C)o1;FWSMURFWIPUJLE-UHFFFAOYSA-N;478.68;4.8;72193940;;;CHEMBL4067984;GENER;EPAM;25;0;"<a href=https://www.ebi.ac.uk/chembl/assay_report_card/CHEMBL4039805/  target=_blank>CHEMBL4039805</a>";;;;;;;;;-3.48;;;;;;;;;;;;"He S, Li K, Lin B, Hu Z, Xiao J, Hu X, Wang AQ, Xu X, Ferrer M, Southall N, Zheng W, Aubé J, Schoenen FJ, Marugan JJ, Liang TJ, Frankowski KJ.: Development of an Aryloxazole Class of Hepatitis C Virus Inhibitors Targeting the Entry Stage of the Viral Replication Cycle. J Med Chem, Volume 60 (14), 2017";ChEMBL
MM472198;MM472198;c1ccc2c(c1)CNC(CN(CCCCNC1CCSCC1)C1CCCc3cccnc31)C2;;464.72;4.74;137633431;;;CHEMBL4068122;GENER;EPAM;25;0;"ph = 5.5, <a href=https://www.ebi.ac.uk/chembl/assay_report_card/CHEMBL4059169/  target=_blank>CHEMBL4059169</a>";;;;;;;;;-5.34;;;;;;;;;;;;"Miller EJ, Jecs E, Truax VM, Katzman BM, Tahirovic YA, Wilson RJ, Kuo KM, Kim MB, Nguyen HH, Saindane MT, Zhao H, Wang T, Sum CS, Cvijic ME, Schroeder GM, Wilson LJ, Liotta DC.: Discovery of Tetrahydroisoquinoline-Containing CXCR4 Antagonists with Improved in Vitro ADMET Properties. J Med Chem, Volume 61 (3), 2018";ChEMBL
MM472198;MM472198;c1ccc2c(c1)CNC(CN(CCCCNC1CCSCC1)C1CCCc3cccnc31)C2;;464.72;4.74;137633431;;;CHEMBL4068122;GENER;EPAM;25;0;"ph = 7.4, <a href=https://www.ebi.ac.uk/chembl/assay_report_card/CHEMBL4059168/  target=_blank>CHEMBL4059168</a>";;;;;;;;;-6.7;;;;;;;;;;;;"Miller EJ, Jecs E, Truax VM, Katzman BM, Tahirovic YA, Wilson RJ, Kuo KM, Kim MB, Nguyen HH, Saindane MT, Zhao H, Wang T, Sum CS, Cvijic ME, Schroeder GM, Wilson LJ, Liotta DC.: Discovery of Tetrahydroisoquinoline-Containing CXCR4 Antagonists with Improved in Vitro ADMET Properties. J Med Chem, Volume 61 (3), 2018";ChEMBL
MM472188;MM472188;CNC(=O)c1cnc(Nc2ccc(OC)cc2)cc1NC(c1ccccc1)C(O)CO;TWSNMEUSGKKUHC-IRLDBZIGSA-N;422.49;2.7;137631449;;;CHEMBL4068127;GENER;EPAM;25;0;"ph = 7.4, <a href=https://www.ebi.ac.uk/chembl/assay_report_card/CHEMBL4047626/  target=_blank>CHEMBL4047626</a>";;;;;;;;;-5.15;;;;;;;;;;;;"Bhide RS, Keon A, Weigelt C, Sack JS, Schmidt RJ, Lin S, Xiao HY, Spergel SH, Kempson J, Pitts WJ, Carman J, Poss MA.: Discovery and structure-based design of 4,6-diaminonicotinamides as potent and selective IRAK4 inhibitors. Bioorg Med Chem Lett, Volume 27 (21), 2017";ChEMBL
MM472528;MM472528;"O=[N+]([O-])/N=C1\NCCN1Cc1ccc(Cl)nc1";YWTYJOPNNQFBPC-UHFFFAOYSA-N;255.67;0.69;;;;;GENER;EPAM;25;+1,-1;"<a href=https://www.ebi.ac.uk/chembl/assay_report_card/CHEMBL905612/  target=_blank>CHEMBL905612</a>";;;;;;;;;-5.34;;;;;;;;;;;;"Fujikawa M, Nakao K, Shimizu R, Akamatsu M.: QSAR study on permeability of hydrophobic compounds with artificial membranes. Bioorg Med Chem, Volume 15 (11), 3756-3767, 2007";ChEMBL
MM474249;MM474249;CN1CCN(CCOC(=O)N(Cc2ccccc2)c2ncnc3c2cnn3CC(Cl)c2ccccc2)CC1;;534.06;4.2;135184698;;;CHEMBL4068211;GENER;EPAM;25;0;"<a href=https://www.ebi.ac.uk/chembl/assay_report_card/CHEMBL4013498/  target=_blank>CHEMBL4013498</a>";;;;;;;;;-5.17;;;;;;;;;;;;"Vignaroli G, Iovenitti G, Zamperini C, Coniglio F, Calandro P, Molinari A, Fallacara AL, Sartucci A, Calgani A, Colecchia D, Mancini A, Festuccia C, Dreassi E, Valoti M, Musumeci F, Chiariello M, Angelucci A, Botta M, Schenone S.: Prodrugs of Pyrazolo[3,4-d]pyrimidines: From Library Synthesis to Evaluation as Potential Anticancer Agents in an Orthotopic Glioblastoma Model. J Med Chem, Volume 60 (14), 2017";ChEMBL
MM473400;MM473400;Cc1ccccc1-c1nc(CN2CCC(C(=O)NCCCN3C(C)CCCC3C)CC2)c(C)o1;UFPFVIAHDVNPIL-SZPZYZBQSA-N;466.67;4.94;71563367;;;CHEMBL4068339;GENER;EPAM;25;0;"<a href=https://www.ebi.ac.uk/chembl/assay_report_card/CHEMBL4039805/  target=_blank>CHEMBL4039805</a>";;;;;;;;;-4.26;;;;;;;;;;;;"He S, Li K, Lin B, Hu Z, Xiao J, Hu X, Wang AQ, Xu X, Ferrer M, Southall N, Zheng W, Aubé J, Schoenen FJ, Marugan JJ, Liang TJ, Frankowski KJ.: Development of an Aryloxazole Class of Hepatitis C Virus Inhibitors Targeting the Entry Stage of the Viral Replication Cycle. J Med Chem, Volume 60 (14), 2017";ChEMBL
MM473415;MM473415;CCS(=O)(=O)Nc1cnc2c(c1)-c1cn(C)c(=O)cc1OCCCCc1cc(F)cc(F)c1O2;ZZSDIMNEAFZMHM-UHFFFAOYSA-N;491.52;3.99;118138005;;;CHEMBL4068431;GENER;EPAM;25;0;"<a href=https://www.ebi.ac.uk/chembl/assay_report_card/CHEMBL4051120/  target=_blank>CHEMBL4051120</a>";;;;;;;;;-5.05;;;;;;;;;;;;"Wang L, Pratt JK, Soltwedel T, Sheppard GS, Fidanze SD, Liu D, Hasvold LA, Mantei RA, Holms JH, McClellan WJ, Wendt MD, Wada C, Frey R, Hansen TM, Hubbard R, Park CH, Li L, Magoc TJ, Albert DH, Lin X, Warder SE, Kovar P, Huang X, Wilcox D, Wang R, Rajaraman G, Petros AM, Hutchins CW, Panchal SC, Sun C, Elmore SW, Shen Y, Kati WM, McDaniel KF.: Fragment-Based, Structure-Enabled Discovery of Novel Pyridones and Pyridone Macrocycles as Potent Bromodomain and Extra-Terminal Domain (BET) Family Bromodomain Inhibitors. J Med Chem, Volume 60 (9), 2017";ChEMBL
MM471430;MM471430;COc1ccccc1-c1ccc(OC2OC(CO)C(O)C(O)C2O)c(Cl)c1;ADBZGKPOLZHLKI-GFEQUFNTSA-N;396.82;1.19;137633658;;;CHEMBL4068816;GENER;EPAM;25;0;"ph = 7.4, <a href=https://www.ebi.ac.uk/chembl/assay_report_card/CHEMBL4015741/  target=_blank>CHEMBL4015741</a>";;;;;;;;;-4.6;;;;;;;;;;;;"Mayer K, Eris D, Schwardt O, Sager CP, Rabbani S, Kleeb S, Ernst B.: Urinary Tract Infection: Which Conformation of the Bacterial Lectin FimH Is Therapeutically Relevant? J Med Chem, Volume 60 (13), 2017";ChEMBL
MM472351;MM472351;CCNCCNc1cc(-c2ccc(C(F)(F)F)cc2)c(C#N)c2nc3cc(Cl)cc(Cl)c3n12;MJJGTTBJKLVONU-UHFFFAOYSA-N;492.33;6.37;137633840;;;CHEMBL4068923;GENER;EPAM;25;0;"ph = 6.5, <a href=https://www.ebi.ac.uk/chembl/assay_report_card/CHEMBL3996779/  target=_blank>CHEMBL3996779</a>";;;;;;;;;-4.9;;;;;;;;;;;;"Singh K, Okombo J, Brunschwig C, Ndubi F, Barnard L, Wilkinson C, Njogu PM, Njoroge M, Laing L, Machado M, Prudêncio M, Reader J, Botha M, Nondaba S, Birkholtz LM, Lauterbach S, Churchyard A, Coetzer TL, Burrows JN, Yeates C, Denti P, Wiesner L, Egan TJ, Wittlin S, Chibale K.: Antimalarial Pyrido[1,2-a]benzimidazoles: Lead Optimization, Parasite Life Cycle Stage Profile, Mechanistic Evaluation, Killing Kinetics, and in Vivo Oral Efficacy in a Mouse Model. J Med Chem, Volume 60 (4), 2017";ChEMBL
MM473382;MM473382;Cn1ncn(-c2ccc(C(=O)NC3CCN(c4ncc(Cl)c5c(N)noc45)C3)c(Cl)c2)c1=O;XRSYEDBIHQMIFZ-SNVBAGLBSA-N;489.32;2;118456920;;;CHEMBL4069082;GENER;EPAM;25;0;"<a href=https://www.ebi.ac.uk/chembl/assay_report_card/CHEMBL4018087/  target=_blank>CHEMBL4018087</a>";;;;;;;;;-4.99;;;;;;;;;;;;"Sakurada I, Endo T, Hikita K, Hirabayashi T, Hosaka Y, Kato Y, Maeda Y, Matsumoto S, Mizuno T, Nagasue H, Nishimura T, Shimada S, Shinozaki M, Taguchi K, Takeuchi K, Yokoyama T, Hruza A, Reichert P, Zhang T, Wood HB, Nakao K, Furusako S.: Discovery of novel aminobenzisoxazole derivatives as orally available factor IXa inhibitors. Bioorg Med Chem Lett, Volume 27 (11), 2017";ChEMBL
MM471437;MM471437;CCOC(=O)C1=CC(O)C(NC(C)=O)C(C(O)C(O)Cn2cc(-c3ccc(-c4ccccc4)cc3)nn2)O1;UTLBOMGJMHHNJJ-OQMPRARUSA-N;522.56;1.05;137634016;;;CHEMBL4069168;GENER;EPAM;25;0;"ph = 7.4, <a href=https://www.ebi.ac.uk/chembl/assay_report_card/CHEMBL4059390/  target=_blank>CHEMBL4059390</a>";;;;;;;;;-8.3;;;;;;;;;;;;"Guo T, Dätwyler P, Demina E, Richards MR, Ge P, Zou C, Zheng R, Fougerat A, Pshezhetsky AV, Ernst B, Cairo CW.: Selective Inhibitors of Human Neuraminidase 3. J Med Chem, Volume 61 (5), 2018";ChEMBL
MM474271;MM474271;COc1c(C#Cc2ccc(NS(C)(=O)=O)cc2)cc(N2CCC(=O)NC2=O)cc1C(C)(C)C;SNFDKUMADRJBAK-UHFFFAOYSA-N;469.56;3.21;67066462;;;CHEMBL4069243;GENER;EPAM;25;0;"<a href=https://www.ebi.ac.uk/chembl/assay_report_card/CHEMBL4028508/  target=_blank>CHEMBL4028508</a>";;;;;;;;;-6.08;;;;;;;;;;;;"Randolph JT, Krueger AC, Donner PL, Pratt JK, Liu D, Motter CE, Rockway TW, Tufano MD, Wagner R, Lim HB, Beyer JM, Mondal R, Panchal NS, Colletti L, Liu Y, Koev G, Kati WM, Hernandez LE, Beno DWA, Longenecker KL, Stewart KD, Dumas EO, Molla A, Maring CJ.: Synthesis and Biological Characterization of Aryl Uracil Inhibitors of Hepatitis C Virus NS5B Polymerase: Discovery of ABT-072, a trans-Stilbene Analog with Good Oral Bioavailability. J Med Chem, Volume 61 (3), 2018";ChEMBL
MM472122;MM472122;CN1C[C@H](Nc2cnn(C)c(=O)c2Br)C[C@H](c2ccccc2)C1;VZAFGXCWAWRULT-UONOGXRCSA-N;377.29;2.44;;;;;GENER;EPAM;25;0;"ph = 7.4, <a href=https://www.ebi.ac.uk/chembl/assay_report_card/CHEMBL4003558/  target=_blank>CHEMBL4003558</a>";;;;;;;;;-4.3;;;;;;;;;;;;"Humphreys PG, Bamborough P, Chung CW, Craggs PD, Gordon L, Grandi P, Hayhow TG, Hussain J, Jones KL, Lindon M, Michon AM, Renaux JF, Suckling CJ, Tough DF, Prinjha RK.: Discovery of a Potent, Cell Penetrant, and Selective p300/CBP-Associated Factor (PCAF)/General Control Nonderepressible 5 (GCN5) Bromodomain Chemical Probe. J Med Chem, Volume 60 (2), 2017";ChEMBL
MM474257;MM474257;CCC(CN1CCN(C)CC1)OC(=O)N(c1cccc(Br)c1)c1nc(SC)nc2c1cnn2CC(C)c1ccccc1;;652.66;6.42;135202931;;;CHEMBL4069584;GENER;EPAM;25;0;"<a href=https://www.ebi.ac.uk/chembl/assay_report_card/CHEMBL4013498/  target=_blank>CHEMBL4013498</a>";;;;;;;;;-5.84;;;;;;;;;;;;"Vignaroli G, Iovenitti G, Zamperini C, Coniglio F, Calandro P, Molinari A, Fallacara AL, Sartucci A, Calgani A, Colecchia D, Mancini A, Festuccia C, Dreassi E, Valoti M, Musumeci F, Chiariello M, Angelucci A, Botta M, Schenone S.: Prodrugs of Pyrazolo[3,4-d]pyrimidines: From Library Synthesis to Evaluation as Potential Anticancer Agents in an Orthotopic Glioblastoma Model. J Med Chem, Volume 60 (14), 2017";ChEMBL
MM472168;MM472168;O=c1[nH]c2ccc(Nc3cc(OC4CCOCC4)c([N+](=O)[O-])cc3Cl)cc2[nH]1;PLNHZWDKSADKGN-UHFFFAOYSA-N;404.81;3.72;;;;;GENER;EPAM;25;+1,-1;"ph = 7.4, <a href=https://www.ebi.ac.uk/chembl/assay_report_card/CHEMBL4044892/  target=_blank>CHEMBL4044892</a>";;;;;;;;;-5.35;;;;;;;;;;;;"Yasui T, Yamamoto T, Sakai N, Asano K, Takai T, Yoshitomi Y, Davis M, Takagi T, Sakamoto K, Sogabe S, Kamada Y, Lane W, Snell G, Iwata M, Goto M, Inooka H, Sakamoto JI, Nakada Y, Imaeda Y.: Discovery of a novel B-cell lymphoma 6 (BCL6)-corepressor interaction inhibitor by utilizing structure-based drug design. Bioorg Med Chem, Volume 25 (17), 2017";ChEMBL
MM474578;MM474578;CS(=O)(=O)N1CCCC(c2csc(-c3ccccc3NC(=O)c3ncc[nH]3)n2)C1;WSTBNDDBNXWHQU-ZDUSSCGKSA-N;431.54;2.92;137639535;;;CHEMBL4069884;GENER;EPAM;25;0;"<a href=https://www.ebi.ac.uk/chembl/assay_report_card/CHEMBL4001913/  target=_blank>CHEMBL4001913</a>";;;;;;;;;-4.8;;;;;;;;;;;;"Keung W, Boloor A, Brown J, Kiryanov A, Gangloff A, Lawson JD, Skene R, Hoffman I, Atienza J, Kahana J, De Jong R, Farrell P, Balakrishna D, Halkowycz P.: Structure-based optimization of 1H-imidazole-2-carboxamides as Axl kinase inhibitors utilizing a Mer mutant surrogate. Bioorg Med Chem Lett, Volume 27 (4), 2017";ChEMBL
MM471688;MM471688;O=S1(=Nc2ccccc2)CCCCC1;IDGITZGQHADGQO-UHFFFAOYSA-N;209.31;2.97;;;;;GENER;EPAM;25;0;"ph = 7.4, <a href=https://www.ebi.ac.uk/chembl/assay_report_card/CHEMBL3992821/  target=_blank>CHEMBL3992821</a>";;;;;;;;;-5.02;;;;;;;;;;;;"Frings M, Bolm C, Blum A, Gnamm C.: Sulfoximines from a Medicinal Chemist's Perspective: Physicochemical and in vitro Parameters Relevant for Drug Discovery. Eur J Med Chem, Volume 126, 2017";ChEMBL
MM471431;MM471431;N#Cc1cccc(-c2ccc(OC3OC(CO)C(O)C(O)C3O)c(Cl)c2)c1;ANHVGVWJTDOPPN-GFEQUFNTSA-N;391.81;1.06;137640134;;;CHEMBL4070168;GENER;EPAM;25;0;"ph = 7.4, <a href=https://www.ebi.ac.uk/chembl/assay_report_card/CHEMBL4015741/  target=_blank>CHEMBL4015741</a>";;;;;;;;;-5.1;;;;;;;;;;;;"Mayer K, Eris D, Schwardt O, Sager CP, Rabbani S, Kleeb S, Ernst B.: Urinary Tract Infection: Which Conformation of the Bacterial Lectin FimH Is Therapeutically Relevant? J Med Chem, Volume 60 (13), 2017";ChEMBL
MM472156;MM472156;O=C1Nc2cc(=O)n(Cc3ccccc3)cc2CN1c1cccc(OCc2ccccn2)c1;NZYWZQVSAMCCCA-UHFFFAOYSA-N;438.49;4.42;137638168;;;CHEMBL4070179;GENER;EPAM;25;0;"ph = 7.4, <a href=https://www.ebi.ac.uk/chembl/assay_report_card/CHEMBL4017295/  target=_blank>CHEMBL4017295</a>";;;;;;;;;-4.56;;;;;;;;;;;;"Iwatani-Yoshihara M, Ito M, Klein MG, Yamamoto T, Yonemori K, Tanaka T, Miwa M, Morishita D, Endo S, Tjhen R, Qin L, Nakanishi A, Maezaki H, Kawamoto T.: Discovery of Allosteric Inhibitors Targeting the Spliceosomal RNA Helicase Brr2. J Med Chem, Volume 60 (13), 2017";ChEMBL
MM472516;MM472516;CN1CCN(c2ccc(NC(=O)c3cc(N(C)Cc4ccc(C(F)(F)F)cc4)ncn3)cc2)CC1;SNIHPFWHOVWJTR-UHFFFAOYSA-N;484.53;4.14;137638473;;;CHEMBL4070191;GENER;EPAM;25;0;"at ph 4 to 8, <a href=https://www.ebi.ac.uk/chembl/assay_report_card/CHEMBL4032615/  target=_blank>CHEMBL4032615</a>";;;;;;;;;-4.5;;;;;;;;;;;;"Wilson CR, Gessner RK, Moosa A, Seldon R, Warner DF, Mizrahi V, Soares de Melo C, Simelane SB, Nchinda A, Abay E, Taylor D, Njoroge M, Brunschwig C, Lawrence N, Boshoff HIM, Barry CE, Sirgel FA, van Helden P, Harris CJ, Gordon R, Ghidelli-Disse S, Pflaumer H, Boesche M, Drewes G, Sanz O, Santos G, Rebollo-Lopez MJ, Urones B, Selenski C, Lafuente-Monasterio MJ, Axtman M, Lelièvre J, Ballell L, Mueller R, Street LJ, Ghorpade SR, Chibale K.: Novel Antitubercular 6-Dialkylaminopyrimidine Carboxamides from Phenotypic Whole-Cell High Throughput Screening of a SoftFocus Library: Structure-Activity Relationship and Target Identification Studies. J Med Chem, Volume 60 (24), 2017";ChEMBL
MM472345;MM472345;CN1CCC(Nc2cc(-c3ccc(C(F)(F)F)cc3)c(C#N)c3nc4ccccc4n23)CC1;;449.48;5.55;137638171;;;CHEMBL4070265;GENER;EPAM;25;0;"ph = 6.5, <a href=https://www.ebi.ac.uk/chembl/assay_report_card/CHEMBL3996779/  target=_blank>CHEMBL3996779</a>";;;;;;;;;-3.8;;;;;;;;;;;;"Singh K, Okombo J, Brunschwig C, Ndubi F, Barnard L, Wilkinson C, Njogu PM, Njoroge M, Laing L, Machado M, Prudêncio M, Reader J, Botha M, Nondaba S, Birkholtz LM, Lauterbach S, Churchyard A, Coetzer TL, Burrows JN, Yeates C, Denti P, Wiesner L, Egan TJ, Wittlin S, Chibale K.: Antimalarial Pyrido[1,2-a]benzimidazoles: Lead Optimization, Parasite Life Cycle Stage Profile, Mechanistic Evaluation, Killing Kinetics, and in Vivo Oral Efficacy in a Mouse Model. J Med Chem, Volume 60 (4), 2017";ChEMBL
MM473395;MM473395;Cc1ccccc1-c1nc(CN2CCC(C(=O)NCCCN3CC(C)CC(C)C3)CC2)c(C)o1;MRHJNIMUABLZHR-NHCUHLMSSA-N;466.67;4.65;71307912;;;CHEMBL4070307;GENER;EPAM;25;0;"<a href=https://www.ebi.ac.uk/chembl/assay_report_card/CHEMBL4039805/  target=_blank>CHEMBL4039805</a>";;;;;;;;;-3.26;;;;;;;;;;;;"He S, Li K, Lin B, Hu Z, Xiao J, Hu X, Wang AQ, Xu X, Ferrer M, Southall N, Zheng W, Aubé J, Schoenen FJ, Marugan JJ, Liang TJ, Frankowski KJ.: Development of an Aryloxazole Class of Hepatitis C Virus Inhibitors Targeting the Entry Stage of the Viral Replication Cycle. J Med Chem, Volume 60 (14), 2017";ChEMBL
MM472430;MM472430;COc1ccc(C2NC(=O)NC(C)=C2c2nc(-c3ccc(C#N)cc3)cs2)cc1;FULOVOPQENLVDA-UHFFFAOYSA-N;402.48;4.48;71292660;;;CHEMBL4070412;GENER;EPAM;25;0;"ph = 7.2, <a href=https://www.ebi.ac.uk/chembl/assay_report_card/CHEMBL4043725/  target=_blank>CHEMBL4043725</a>";;;;;;;;;-7.11;;;;;;;;;;;;"Pagano N, Teriete P, Mattmann ME, Yang L, Snyder BA, Cai Z, Heil ML, Cosford NDP.: An integrated chemical biology approach reveals the mechanism of action of HIV replication inhibitors. Bioorg Med Chem, Volume 25 (23), 2017";ChEMBL
MM473372;MM473372;COC(=O)C1=C(CN2CCOCC2C(=O)O)NC(c2nccs2)=NC1c1ccc(F)c(F)c1C;VXUGWYDIMOVOBL-YJBOKZPZSA-N;492.5;2.03;137638485;;;CHEMBL4070544;GENER;EPAM;25;0;"<a href=https://www.ebi.ac.uk/chembl/assay_report_card/CHEMBL4011436/  target=_blank>CHEMBL4011436</a>";;;;;;;;;-5.57;;;;;;;;;;;;"Qiu Z, Lin X, Zhang W, Zhou M, Guo L, Kocer B, Wu G, Zhang Z, Liu H, Shi H, Kou B, Hu T, Hu Y, Huang M, Yan SF, Xu Z, Zhou Z, Qin N, Wang YF, Ren S, Qiu H, Zhang Y, Zhang Y, Wu X, Sun K, Zhong S, Xie J, Ottaviani G, Zhou Y, Zhu L, Tian X, Shi L, Shen F, Mao Y, Zhou X, Gao L, Young JAT, Wu JZ, Yang G, Mayweg AV, Shen HC, Tang G, Zhu W.: Discovery and Pre-Clinical Characterization of Third-Generation 4-H Heteroaryldihydropyrimidine (HAP) Analogues as Hepatitis B Virus (HBV) Capsid Inhibitors. J Med Chem, Volume 60 (8), 2017";ChEMBL
MM472779;MM472779;Cn1cncc1C=Cc1ccc(C2(C)c3ccc(O)cc3CCN2c2ccc(F)cc2)cc1;GHMAAMUCRPDVSB-BJMVGYQFSA-N;439.53;5.76;118184749;;;CHEMBL4070586;GENER;EPAM;25;0;"<a href=https://www.ebi.ac.uk/chembl/assay_report_card/CHEMBL4011153/  target=_blank>CHEMBL4011153</a>";;;;;;;;;-4.8;;;;;;;;;;;;"Burks HE, Abrams T, Kirby CA, Baird J, Fekete A, Hamann LG, Kim S, Lombardo F, Loo A, Lubicka D, Macchi K, McDonnell DP, Mishina Y, Norris JD, Nunez J, Saran C, Sun Y, Thomsen NM, Wang C, Wang J, Peukert S.: Discovery of an Acrylic Acid Based Tetrahydroisoquinoline as an Orally Bioavailable Selective Estrogen Receptor Degrader for ERα+ Breast Cancer. J Med Chem, Volume 60 (7), 2017";ChEMBL
MM472162;MM472162;CC(C)CC1CC(C)C2(C(=O)Nc3ccc(F)cc32)N1C(=O)c1cn(C)cn1;WAFNVKVWBPXGHK-CGSMKXTHSA-N;384.46;3.3;132609317;;;CHEMBL4070683;GENER;EPAM;25;0;"ph = 7.4, <a href=https://www.ebi.ac.uk/chembl/assay_report_card/CHEMBL4044710/  target=_blank>CHEMBL4044710</a>";;;;;;;;;-4.74;;;;;;;;;;;;"Ito M, Iwatani M, Yamamoto T, Tanaka T, Kawamoto T, Morishita D, Nakanishi A, Maezaki H.: Discovery of spiro[indole-3,2'-pyrrolidin]-2(1H)-one based inhibitors targeting Brr2, a core component of the U5 snRNP. Bioorg Med Chem, Volume 25 (17), 2017";ChEMBL
MM474276;MM474276;COc1c(C(=O)N(C)c2ccc(NS(C)(=O)=O)cc2)cc(N2CCC(=O)NC2=O)cc1C(C)(C)C;FMCZNSNFBLYZOX-UHFFFAOYSA-N;502.59;3.09;42599815;;;CHEMBL4070770;GENER;EPAM;25;0;"<a href=https://www.ebi.ac.uk/chembl/assay_report_card/CHEMBL4028508/  target=_blank>CHEMBL4028508</a>";;;;;;;;;-6.6;;;;;;;;;;;;"Randolph JT, Krueger AC, Donner PL, Pratt JK, Liu D, Motter CE, Rockway TW, Tufano MD, Wagner R, Lim HB, Beyer JM, Mondal R, Panchal NS, Colletti L, Liu Y, Koev G, Kati WM, Hernandez LE, Beno DWA, Longenecker KL, Stewart KD, Dumas EO, Molla A, Maring CJ.: Synthesis and Biological Characterization of Aryl Uracil Inhibitors of Hepatitis C Virus NS5B Polymerase: Discovery of ABT-072, a trans-Stilbene Analog with Good Oral Bioavailability. J Med Chem, Volume 61 (3), 2018";ChEMBL
MM474589;MM474589;COc1ccc2nc(C)cc(OCC(=O)Nc3cc(C)cc(C)c3)c2n1;HBJVPIPPULFYOI-UHFFFAOYSA-N;351.41;3.58;;;;;GENER;EPAM;25;0;"<a href=https://www.ebi.ac.uk/chembl/assay_report_card/CHEMBL4042140/  target=_blank>CHEMBL4042140</a>";;;;;;;;;-4.29;;;;;;;;;;;;"Pitta E, Balabon O, Rogacki MK, Gómez J, Cunningham F, Joosens J, Augustyns K, van der Veken P, Bates R.: Differential characterization using readily accessible NMR experiments of novel N- and O-alkylated quinolin-4-ol, 1,5-naphthyridin-4-ol and quinazolin-4-ol derivatives with antimycobacterial activity. Eur J Med Chem, Volume 125, 2017";ChEMBL
MM472344;MM472344;CCN(CC)CCCC(C)Nc1cc(-c2ccc(C(F)(F)F)cc2)c(C#N)c2nc3ccccc3n12;;493.58;6.97;137638358;;;CHEMBL4071316;GENER;EPAM;25;0;"ph = 6.5, <a href=https://www.ebi.ac.uk/chembl/assay_report_card/CHEMBL3996779/  target=_blank>CHEMBL3996779</a>";;;;;;;;;-3.5;;;;;;;;;;;;"Singh K, Okombo J, Brunschwig C, Ndubi F, Barnard L, Wilkinson C, Njogu PM, Njoroge M, Laing L, Machado M, Prudêncio M, Reader J, Botha M, Nondaba S, Birkholtz LM, Lauterbach S, Churchyard A, Coetzer TL, Burrows JN, Yeates C, Denti P, Wiesner L, Egan TJ, Wittlin S, Chibale K.: Antimalarial Pyrido[1,2-a]benzimidazoles: Lead Optimization, Parasite Life Cycle Stage Profile, Mechanistic Evaluation, Killing Kinetics, and in Vivo Oral Efficacy in a Mouse Model. J Med Chem, Volume 60 (4), 2017";ChEMBL
MM472433;MM472433;CC1=C(c2nc(-c3ccc(C#N)cc3)cs2)C(c2ccc(Cl)nc2)NC(=O)N1;URZXRDLIESBEPT-UHFFFAOYSA-N;407.89;4.52;71506429;;;CHEMBL4071598;GENER;EPAM;25;0;"ph = 7.2, <a href=https://www.ebi.ac.uk/chembl/assay_report_card/CHEMBL4043725/  target=_blank>CHEMBL4043725</a>";;;;;;;;;-7.4;;;;;;;;;;;;"Pagano N, Teriete P, Mattmann ME, Yang L, Snyder BA, Cai Z, Heil ML, Cosford NDP.: An integrated chemical biology approach reveals the mechanism of action of HIV replication inhibitors. Bioorg Med Chem, Volume 25 (23), 2017";ChEMBL
MM472173;MM472173;O=S(=O)(Nc1nccs1)c1cc(Cl)c(NC[C@]23CCC[C@@]2(O)CCC3)cc1F;;445.97;4.23;;;;CHEMBL4071736;GENER;EPAM;25;0;"ph = 5.5, <a href=https://www.ebi.ac.uk/chembl/assay_report_card/CHEMBL4046489/  target=_blank>CHEMBL4046489</a>";;;;;;;;;-4.16;;;;;;;;;;;;"Wu YJ, Guernon J, McClure A, Luo G, Rajamani R, Ng A, Easton A, Newton A, Bourin C, Parker D, Mosure K, Barnaby O, Soars MG, Knox RJ, Matchett M, Pieschl R, Herrington J, Chen P, Sivarao DV, Bristow LJ, Meanwell NA, Bronson J, Olson R, Thompson LA, Dzierba C.: Discovery of non-zwitterionic aryl sulfonamides as Na<sub>v</sub>1.7 inhibitors with efficacy in preclinical behavioral models and translational measures of nociceptive neuron activation. Bioorg Med Chem, Volume 25 (20), 2017";ChEMBL
MM472173;MM472173;O=S(=O)(Nc1nccs1)c1cc(Cl)c(NC[C@]23CCC[C@@]2(O)CCC3)cc1F;;445.97;4.23;;;;CHEMBL4071736;GENER;EPAM;25;0;"ph = 7.4, <a href=https://www.ebi.ac.uk/chembl/assay_report_card/CHEMBL4046490/  target=_blank>CHEMBL4046490</a>";;;;;;;;;-4.23;;;;;;;;;;;;"Wu YJ, Guernon J, McClure A, Luo G, Rajamani R, Ng A, Easton A, Newton A, Bourin C, Parker D, Mosure K, Barnaby O, Soars MG, Knox RJ, Matchett M, Pieschl R, Herrington J, Chen P, Sivarao DV, Bristow LJ, Meanwell NA, Bronson J, Olson R, Thompson LA, Dzierba C.: Discovery of non-zwitterionic aryl sulfonamides as Na<sub>v</sub>1.7 inhibitors with efficacy in preclinical behavioral models and translational measures of nociceptive neuron activation. Bioorg Med Chem, Volume 25 (20), 2017";ChEMBL
MM474602;MM474602;N#CC1(NC(=O)C(Cc2ccc(Cl)c(Cl)c2)NC(=O)c2cnn(-c3ccc(F)cc3)n2)CC1;MRUBACKMRWNERJ-SFHVURJKSA-N;487.32;3.23;135285657;;;CHEMBL4073014;GENER;EPAM;25;0;"<a href=https://www.ebi.ac.uk/chembl/assay_report_card/CHEMBL4049106/  target=_blank>CHEMBL4049106</a>";;;;;;;;;-5.97;;;;;;;;;;;;"Giroud M, Kuhn B, Saint-Auret S, Kuratli C, Martin RE, Schuler F, Diederich F, Kaiser M, Brun R, Schirmeister T, Haap W.: 2 H-1,2,3-Triazole-Based Dipeptidyl Nitriles: Potent, Selective, and Trypanocidal Rhodesain Inhibitors by Structure-Based Design. J Med Chem, Volume 61 (8), 2018";ChEMBL
MM472161;MM472161;CC(COc1cnc(-c2ccc(Oc3cccc(OCC4CC4)c3)cc2)o1)NC(N)=O;;423.47;4.36;134226787;;;CHEMBL4073202;GENER;EPAM;25;0;"ph = 5, <a href=https://www.ebi.ac.uk/chembl/assay_report_card/CHEMBL4027532/  target=_blank>CHEMBL4027532</a>";;;;;;;;;-4.61;;;;;;;;;;;;"Mizojiri R, Asano M, Tomita D, Banno H, Nii N, Sasaki M, Sumi H, Satoh Y, Yamamoto Y, Moriya T, Satomi Y, Maezaki H.: Discovery of Novel Selective Acetyl-CoA Carboxylase (ACC) 1 Inhibitors. J Med Chem, Volume 61 (3), 2018";ChEMBL
MM472161;MM472161;CC(COc1cnc(-c2ccc(Oc3cccc(OCC4CC4)c3)cc2)o1)NC(N)=O;;423.47;4.36;134226787;;;CHEMBL4073202;GENER;EPAM;25;0;"ph = 7.4, <a href=https://www.ebi.ac.uk/chembl/assay_report_card/CHEMBL4027533/  target=_blank>CHEMBL4027533</a>";;;;;;;;;-4.6;;;;;;;;;;;;"Mizojiri R, Asano M, Tomita D, Banno H, Nii N, Sasaki M, Sumi H, Satoh Y, Yamamoto Y, Moriya T, Satomi Y, Maezaki H.: Discovery of Novel Selective Acetyl-CoA Carboxylase (ACC) 1 Inhibitors. J Med Chem, Volume 61 (3), 2018";ChEMBL
MM473409;MM473409;CCS(=O)(=O)Nc1ccc2c(c1)-c1cn(C)c(=O)cc1OCCCCc1cc(Cl)ccc1O2;ZZIGYCDFBKLWSO-UHFFFAOYSA-N;488.99;4.97;118137759;;;CHEMBL4073279;GENER;EPAM;25;0;"<a href=https://www.ebi.ac.uk/chembl/assay_report_card/CHEMBL4051120/  target=_blank>CHEMBL4051120</a>";;;;;;;;;-5.66;;;;;;;;;;;;"Wang L, Pratt JK, Soltwedel T, Sheppard GS, Fidanze SD, Liu D, Hasvold LA, Mantei RA, Holms JH, McClellan WJ, Wendt MD, Wada C, Frey R, Hansen TM, Hubbard R, Park CH, Li L, Magoc TJ, Albert DH, Lin X, Warder SE, Kovar P, Huang X, Wilcox D, Wang R, Rajaraman G, Petros AM, Hutchins CW, Panchal SC, Sun C, Elmore SW, Shen Y, Kati WM, McDaniel KF.: Fragment-Based, Structure-Enabled Discovery of Novel Pyridones and Pyridone Macrocycles as Potent Bromodomain and Extra-Terminal Domain (BET) Family Bromodomain Inhibitors. J Med Chem, Volume 60 (9), 2017";ChEMBL
MM472175;MM472175;O=S(=O)(Nc1nccs1)c1cc(Cl)c(NCCCC2CCOC2)cc1F;;419.93;3.97;;;;CHEMBL4073353;GENER;EPAM;25;0;"ph = 5.5, <a href=https://www.ebi.ac.uk/chembl/assay_report_card/CHEMBL4046489/  target=_blank>CHEMBL4046489</a>";;;;;;;;;-4.49;;;;;;;;;;;;"Wu YJ, Guernon J, McClure A, Luo G, Rajamani R, Ng A, Easton A, Newton A, Bourin C, Parker D, Mosure K, Barnaby O, Soars MG, Knox RJ, Matchett M, Pieschl R, Herrington J, Chen P, Sivarao DV, Bristow LJ, Meanwell NA, Bronson J, Olson R, Thompson LA, Dzierba C.: Discovery of non-zwitterionic aryl sulfonamides as Na<sub>v</sub>1.7 inhibitors with efficacy in preclinical behavioral models and translational measures of nociceptive neuron activation. Bioorg Med Chem, Volume 25 (20), 2017";ChEMBL
MM472175;MM472175;O=S(=O)(Nc1nccs1)c1cc(Cl)c(NCCCC2CCOC2)cc1F;;419.93;3.97;;;;CHEMBL4073353;GENER;EPAM;25;0;"ph = 7.4, <a href=https://www.ebi.ac.uk/chembl/assay_report_card/CHEMBL4046490/  target=_blank>CHEMBL4046490</a>";;;;;;;;;-4.22;;;;;;;;;;;;"Wu YJ, Guernon J, McClure A, Luo G, Rajamani R, Ng A, Easton A, Newton A, Bourin C, Parker D, Mosure K, Barnaby O, Soars MG, Knox RJ, Matchett M, Pieschl R, Herrington J, Chen P, Sivarao DV, Bristow LJ, Meanwell NA, Bronson J, Olson R, Thompson LA, Dzierba C.: Discovery of non-zwitterionic aryl sulfonamides as Na<sub>v</sub>1.7 inhibitors with efficacy in preclinical behavioral models and translational measures of nociceptive neuron activation. Bioorg Med Chem, Volume 25 (20), 2017";ChEMBL
MM472165;MM472165;CC(C)C[C@@H]1C[C@H](C)[C@@]2(C(=O)Nc3ccc(F)cc32)N1C(=O)c1cn(Cc2ccccc2)cn1;CFOBSDBTRZXUQZ-CLQOQPCJSA-N;460.55;4.81;;;;;GENER;EPAM;25;0;"ph = 7.4, <a href=https://www.ebi.ac.uk/chembl/assay_report_card/CHEMBL4044710/  target=_blank>CHEMBL4044710</a>";;;;;;;;;-4.71;;;;;;;;;;;;"Ito M, Iwatani M, Yamamoto T, Tanaka T, Kawamoto T, Morishita D, Nakanishi A, Maezaki H.: Discovery of spiro[indole-3,2'-pyrrolidin]-2(1H)-one based inhibitors targeting Brr2, a core component of the U5 snRNP. Bioorg Med Chem, Volume 25 (17), 2017";ChEMBL
MM474582;MM474582;Cc1cc(C#N)ccc1-c1cc(N)cc2ncnn12;DAEJAOGCSBFGTO-UHFFFAOYSA-N;249.28;2.16;;;;;GENER;EPAM;25;0;"<a href=https://www.ebi.ac.uk/chembl/assay_report_card/CHEMBL4017311/  target=_blank>CHEMBL4017311</a>";;;;;;;;;-5.23;;;;;;;;;;;;"Ahmed S, Ayscough A, Barker GR, Canning HE, Davenport R, Downham R, Harrison D, Jenkins K, Kinsella N, Livermore DG, Wright S, Ivetac AD, Skene R, Wilkens SJ, Webster NA, Hendrick AG.: 1,2,4-Triazolo-[1,5-a]pyridine HIF Prolylhydroxylase Domain-1 (PHD-1) Inhibitors With a Novel Monodentate Binding Interaction. J Med Chem, Volume 60 (13), 2017";ChEMBL
MM474264;MM474264;Cc1cc(OCCCc2c3n(c4c(-c5c(C)nn(C)c5C)c(Cl)ccc24)CCCN(c2cc(C(=O)O)c4ccn(C)c4c2)C3=O)cc(C)c1Cl;OTFAIFQJDQCNJT-UHFFFAOYSA-N;712.68;8.83;118406955;;;CHEMBL4073496;GENER;EPAM;25;0;"<a href=https://www.ebi.ac.uk/chembl/assay_report_card/CHEMBL4023197/  target=_blank>CHEMBL4023197</a>";;;;;;;;;-4.68;;;;;;;;;;;;"Shaw S, Bian Z, Zhao B, Tarr JC, Veerasamy N, Jeon KO, Belmar J, Arnold AL, Fogarty SA, Perry E, Sensintaffar JL, Camper DV, Rossanese OW, Lee T, Olejniczak ET, Fesik SW.: Optimization of Potent and Selective Tricyclic Indole Diazepinone Myeloid Cell Leukemia-1 Inhibitors Using Structure-Based Design. J Med Chem, Volume 61 (6), 2018";ChEMBL
MM472353;MM472353;CCNCCNc1c(C)c(-c2ccc(C(F)(F)F)cc2)c(C#N)c2nc3ccccc3n12;XQSAWXOSGMNFQL-UHFFFAOYSA-N;437.47;5.37;;;;;GENER;EPAM;25;0;"ph = 6.5, <a href=https://www.ebi.ac.uk/chembl/assay_report_card/CHEMBL3996779/  target=_blank>CHEMBL3996779</a>";;;;;;;;;-5.4;;;;;;;;;;;;"Singh K, Okombo J, Brunschwig C, Ndubi F, Barnard L, Wilkinson C, Njogu PM, Njoroge M, Laing L, Machado M, Prudêncio M, Reader J, Botha M, Nondaba S, Birkholtz LM, Lauterbach S, Churchyard A, Coetzer TL, Burrows JN, Yeates C, Denti P, Wiesner L, Egan TJ, Wittlin S, Chibale K.: Antimalarial Pyrido[1,2-a]benzimidazoles: Lead Optimization, Parasite Life Cycle Stage Profile, Mechanistic Evaluation, Killing Kinetics, and in Vivo Oral Efficacy in a Mouse Model. J Med Chem, Volume 60 (4), 2017";ChEMBL
MM472135;MM472135;O=C(NS(=O)(=O)CCN1CCCC1)c1ccc(Nc2nc(NC3(c4ccc(Cl)cc4)CC3)nc(OCC(F)(F)F)n2)cc1;WRPGXWJQJFHLJV-UHFFFAOYSA-N;640.09;4.47;68033148;;;CHEMBL4074332;GENER;EPAM;25;0;"ph = 7.4, <a href=https://www.ebi.ac.uk/chembl/assay_report_card/CHEMBL4004073/  target=_blank>CHEMBL4004073</a>";;;;;;;;;-4.91;;;;;;;;;;;;"Mull ES, Sun LQ, Zhao Q, Eggers B, Pokornowski K, Zhai G, Rajamani R, Jenkins S, Kramer M, Wang YK, Fang H, Tenney D, Baldick CJ, Cockett MI, Meanwell NA, Scola PM.: Functionalized triazines as potent HCV entry inhibitors. Bioorg Med Chem Lett, Volume 27 (4), 2017";ChEMBL
MM472481;MM472481;c1ccc2c(c1)CNC(CN(CCCCNCC1CCOCC1)C1CCCc3cccnc31)C2;UWRHBQJVXGUUAS-IZLXSDGUSA-N;462.68;4.27;137640474;;;CHEMBL4074366;GENER;EPAM;25;0;"ph = 5.5, <a href=https://www.ebi.ac.uk/chembl/assay_report_card/CHEMBL4059169/  target=_blank>CHEMBL4059169</a>";;;;;;;;;-6.22;;;;;;;;;;;;"Miller EJ, Jecs E, Truax VM, Katzman BM, Tahirovic YA, Wilson RJ, Kuo KM, Kim MB, Nguyen HH, Saindane MT, Zhao H, Wang T, Sum CS, Cvijic ME, Schroeder GM, Wilson LJ, Liotta DC.: Discovery of Tetrahydroisoquinoline-Containing CXCR4 Antagonists with Improved in Vitro ADMET Properties. J Med Chem, Volume 61 (3), 2018";ChEMBL
MM472774;MM472774;CC1(c2ccc(CCC(=O)O)cc2)c2ccc(O)cc2CCN1c1ccc(F)cc1;OUDAHHPZBOGICF-UHFFFAOYSA-N;405.47;4.87;118166788;;;CHEMBL4074375;GENER;EPAM;25;0;"<a href=https://www.ebi.ac.uk/chembl/assay_report_card/CHEMBL4011153/  target=_blank>CHEMBL4011153</a>";;;;;;;;;-4.4;;;;;;;;;;;;"Burks HE, Abrams T, Kirby CA, Baird J, Fekete A, Hamann LG, Kim S, Lombardo F, Loo A, Lubicka D, Macchi K, McDonnell DP, Mishina Y, Norris JD, Nunez J, Saran C, Sun Y, Thomsen NM, Wang C, Wang J, Peukert S.: Discovery of an Acrylic Acid Based Tetrahydroisoquinoline as an Orally Bioavailable Selective Estrogen Receptor Degrader for ERα+ Breast Cancer. J Med Chem, Volume 60 (7), 2017";ChEMBL
MM473768;MM473768;CN1CCCCC1c1nc(C(=O)NCc2ccc(F)cc2)c(O)c(=O)[nH]1;KPXYCCGYCRCUCJ-UHFFFAOYSA-N;360.39;2.11;135446290;;;CHEMBL407451;GENER;EPAM;25;0;"<a href=https://www.ebi.ac.uk/chembl/assay_report_card/CHEMBL1060104/  target=_blank>CHEMBL1060104</a>";;;;;;;;;-6.15;;;;;;;;;;;;"Nizi E, Orsale MV, Crescenzi B, Pescatore G, Muraglia E, Alfieri A, Gardelli C, Spieser SA, Summa V.: Dihydroxy-pyrimidine and N-methylpyrimidone HIV-integrase inhibitors: improving cell based activity by the quaternarization of a chiral center. Bioorg Med Chem Lett, Volume 19 (16), 2009";ChEMBL
MM472160;MM472160;CNCc1cn(S(=O)(=O)c2cccnc2)c(-c2cccnc2F)c1F;;364.38;2.18;25002633;;;CHEMBL4074720;GENER;EPAM;25;0;"ph = 7.4, <a href=https://www.ebi.ac.uk/chembl/assay_report_card/CHEMBL4021476/  target=_blank>CHEMBL4021476</a>";;;;;;;;;-4.59;;;;;;;;;;;;"Nishida H, Arikawa Y, Hirase K, Imaeda T, Inatomi N, Hori Y, Matsukawa J, Fujioka Y, Hamada T, Iida M, Nishitani M, Imanishi A, Fukui H, Itoh F, Kajino M.: Identification of a novel fluoropyrrole derivative as a potassium-competitive acid blocker with long duration of action. Bioorg Med Chem, Volume 25 (13), 2017";ChEMBL
MM473393;MM473393;O=C(NC1CC1)c1cccc(-c2cccc(-c3cc(Nc4cccc5ncccc45)c4c(n3)CCNC4=O)c2)c1;XSVZLSNCQIYEGH-UHFFFAOYSA-N;525.61;5.89;53492818;;;CHEMBL4074883;GENER;EPAM;25;0;"<a href=https://www.ebi.ac.uk/chembl/assay_report_card/CHEMBL4038065/  target=_blank>CHEMBL4038065</a>";;;;;;;;;-6.82;;;;;;;;;;;;"Roberts RS, Sevilla S, Ferrer M, Taltavull J, Hernández B, Segarra V, Gràcia J, Lehner MD, Gavaldà A, Andrés M, Cabedo J, Vilella D, Eichhorn P, Calama E, Carcasona C, Miralpeix M.: 4-Amino-7,8-dihydro-1,6-naphthyridin-5(6 H)-ones as Inhaled Phosphodiesterase Type 4 (PDE4) Inhibitors: Structural Biology and Structure-Activity Relationships. J Med Chem, Volume 61 (6), 2018";ChEMBL
MM473374;MM473374;Cn1cc(-c2ccc(C(=O)NC3CCN(c4ncc(Cl)c5c(N)noc45)C3)c(Cl)c2)cnc1=O;CCIDOUGFKDXCLD-CYBMUJFWSA-N;500.35;2.88;118457044;;;CHEMBL4074983;GENER;EPAM;25;0;"<a href=https://www.ebi.ac.uk/chembl/assay_report_card/CHEMBL4018087/  target=_blank>CHEMBL4018087</a>";;;;;;;;;-6.15;;;;;;;;;;;;"Sakurada I, Endo T, Hikita K, Hirabayashi T, Hosaka Y, Kato Y, Maeda Y, Matsumoto S, Mizuno T, Nagasue H, Nishimura T, Shimada S, Shinozaki M, Taguchi K, Takeuchi K, Yokoyama T, Hruza A, Reichert P, Zhang T, Wood HB, Nakao K, Furusako S.: Discovery of novel aminobenzisoxazole derivatives as orally available factor IXa inhibitors. Bioorg Med Chem Lett, Volume 27 (11), 2017";ChEMBL
MM472515;MM472515;CN(Cc1ccc(C(F)(F)F)nc1)c1cc(C(=O)Nc2ccccc2)ncn1;RIQGHCAMGIQILJ-UHFFFAOYSA-N;387.37;3.78;137652032;;;CHEMBL4075071;GENER;EPAM;25;0;"at ph 4 to 8, <a href=https://www.ebi.ac.uk/chembl/assay_report_card/CHEMBL4032615/  target=_blank>CHEMBL4032615</a>";;;;;;;;;-3.8;;;;;;;;;;;;"Wilson CR, Gessner RK, Moosa A, Seldon R, Warner DF, Mizrahi V, Soares de Melo C, Simelane SB, Nchinda A, Abay E, Taylor D, Njoroge M, Brunschwig C, Lawrence N, Boshoff HIM, Barry CE, Sirgel FA, van Helden P, Harris CJ, Gordon R, Ghidelli-Disse S, Pflaumer H, Boesche M, Drewes G, Sanz O, Santos G, Rebollo-Lopez MJ, Urones B, Selenski C, Lafuente-Monasterio MJ, Axtman M, Lelièvre J, Ballell L, Mueller R, Street LJ, Ghorpade SR, Chibale K.: Novel Antitubercular 6-Dialkylaminopyrimidine Carboxamides from Phenotypic Whole-Cell High Throughput Screening of a SoftFocus Library: Structure-Activity Relationship and Target Identification Studies. J Med Chem, Volume 60 (24), 2017";ChEMBL
MM473366;MM473366;CN(C)C1CN(Cc2c(F)cccc2Br)CC1c1cn(C)c2ccccc12;ZNFRUVZPVKADAA-VGSWGCGISA-N;430.37;4.61;124220776;;;CHEMBL4075197;GENER;EPAM;25;0;"<a href=https://www.ebi.ac.uk/chembl/assay_report_card/CHEMBL4007113/  target=_blank>CHEMBL4007113</a>";;;;;;;;;-6;;;;;;;;;;;;"Curtin ML, Pliushchev MA, Li HQ, Torrent M, Dietrich JD, Jakob CG, Zhu H, Zhao H, Wang Y, Ji Z, Clark RF, Sarris KA, Selvaraju S, Shaw B, Algire MA, He Y, Richardson PL, Sweis RF, Sun C, Chiang GG, Michaelides MR.: SAR of amino pyrrolidines as potent and novel protein-protein interaction inhibitors of the PRC2 complex through EED binding. Bioorg Med Chem Lett, Volume 27 (7), 2017";ChEMBL
MM472149;MM472149;Cn1nc(-c2cccc3ccccc23)cc1C(=O)N1CCC(CO)CC1;;349.43;3.08;137652480;;;CHEMBL4075267;GENER;EPAM;25;0;"ph = 5.5, <a href=https://www.ebi.ac.uk/chembl/assay_report_card/CHEMBL4013341/  target=_blank>CHEMBL4013341</a>";;;;;;;;;-4.23;;;;;;;;;;;;"Carpenter J, Wang Y, Wu G, Feng J, Ye XY, Morales CL, Broekema M, Rossi KA, Miller KJ, Murphy BJ, Wu G, Malmstrom SE, Azzara AV, Sher PM, Fevig JM, Alt A, Bertekap RL, Cullen MJ, Harper TM, Foster K, Luk E, Xiang Q, Grubb MF, Robl JA, Wacker DA.: Utilization of an Active Site Mutant Receptor for the Identification of Potent and Selective Atypical 5-HT<sub>2C</sub> Receptor Agonists. J Med Chem, Volume 60 (14), 2017";ChEMBL
MM472149;MM472149;Cn1nc(-c2cccc3ccccc23)cc1C(=O)N1CCC(CO)CC1;;349.43;3.08;137652480;;;CHEMBL4075267;GENER;EPAM;25;0;"ph = 7.4, <a href=https://www.ebi.ac.uk/chembl/assay_report_card/CHEMBL4013342/  target=_blank>CHEMBL4013342</a>";;;;;;;;;-4.21;;;;;;;;;;;;"Carpenter J, Wang Y, Wu G, Feng J, Ye XY, Morales CL, Broekema M, Rossi KA, Miller KJ, Murphy BJ, Wu G, Malmstrom SE, Azzara AV, Sher PM, Fevig JM, Alt A, Bertekap RL, Cullen MJ, Harper TM, Foster K, Luk E, Xiang Q, Grubb MF, Robl JA, Wacker DA.: Utilization of an Active Site Mutant Receptor for the Identification of Potent and Selective Atypical 5-HT<sub>2C</sub> Receptor Agonists. J Med Chem, Volume 60 (14), 2017";ChEMBL
MM472166;MM472166;O=C1CCc2cc(Nc3cc(OC4CCOCC4)c([N+](=O)[O-])cc3Cl)ccc2N1;RRELDGDKULRRDM-UHFFFAOYSA-N;417.85;4.43;;;;;GENER;EPAM;25;+1,-1;"ph = 7.4, <a href=https://www.ebi.ac.uk/chembl/assay_report_card/CHEMBL4044892/  target=_blank>CHEMBL4044892</a>";;;;;;;;;-4.69;;;;;;;;;;;;"Yasui T, Yamamoto T, Sakai N, Asano K, Takai T, Yoshitomi Y, Davis M, Takagi T, Sakamoto K, Sogabe S, Kamada Y, Lane W, Snell G, Iwata M, Goto M, Inooka H, Sakamoto JI, Nakada Y, Imaeda Y.: Discovery of a novel B-cell lymphoma 6 (BCL6)-corepressor interaction inhibitor by utilizing structure-based drug design. Bioorg Med Chem, Volume 25 (17), 2017";ChEMBL
MM473411;MM473411;CCS(=O)(=O)c1ccc2c(c1)-c1cn(C)c(=O)cc1OCCCCc1cc(Cl)ccc1O2;RTAFIPPKROYDAD-UHFFFAOYSA-N;473.98;5.01;118137913;;;CHEMBL4075567;GENER;EPAM;25;0;"<a href=https://www.ebi.ac.uk/chembl/assay_report_card/CHEMBL4051120/  target=_blank>CHEMBL4051120</a>";;;;;;;;;-5.12;;;;;;;;;;;;"Wang L, Pratt JK, Soltwedel T, Sheppard GS, Fidanze SD, Liu D, Hasvold LA, Mantei RA, Holms JH, McClellan WJ, Wendt MD, Wada C, Frey R, Hansen TM, Hubbard R, Park CH, Li L, Magoc TJ, Albert DH, Lin X, Warder SE, Kovar P, Huang X, Wilcox D, Wang R, Rajaraman G, Petros AM, Hutchins CW, Panchal SC, Sun C, Elmore SW, Shen Y, Kati WM, McDaniel KF.: Fragment-Based, Structure-Enabled Discovery of Novel Pyridones and Pyridone Macrocycles as Potent Bromodomain and Extra-Terminal Domain (BET) Family Bromodomain Inhibitors. J Med Chem, Volume 60 (9), 2017";ChEMBL
MM473413;MM473413;CCS(=O)(=O)c1cnc2c(c1)-c1cn(C)c(=O)cc1OCCCCc1cc(Cl)ccc1O2;DWSPVJWMVBWDOF-UHFFFAOYSA-N;474.97;4.4;;;;;GENER;EPAM;25;0;"<a href=https://www.ebi.ac.uk/chembl/assay_report_card/CHEMBL4051120/  target=_blank>CHEMBL4051120</a>";;;;;;;;;-4.82;;;;;;;;;;;;"Wang L, Pratt JK, Soltwedel T, Sheppard GS, Fidanze SD, Liu D, Hasvold LA, Mantei RA, Holms JH, McClellan WJ, Wendt MD, Wada C, Frey R, Hansen TM, Hubbard R, Park CH, Li L, Magoc TJ, Albert DH, Lin X, Warder SE, Kovar P, Huang X, Wilcox D, Wang R, Rajaraman G, Petros AM, Hutchins CW, Panchal SC, Sun C, Elmore SW, Shen Y, Kati WM, McDaniel KF.: Fragment-Based, Structure-Enabled Discovery of Novel Pyridones and Pyridone Macrocycles as Potent Bromodomain and Extra-Terminal Domain (BET) Family Bromodomain Inhibitors. J Med Chem, Volume 60 (9), 2017";ChEMBL
MM472183;MM472183;CNC(=O)c1cnc(Nc2ccc3c(c2)CC(=O)N3C)cc1NC(c1ccccc1)C(O)CO;GSQGOUWOHGQEKS-QPPBQGQZSA-N;461.52;2.21;137651621;;;CHEMBL4075758;GENER;EPAM;25;0;"ph = 7.4, <a href=https://www.ebi.ac.uk/chembl/assay_report_card/CHEMBL4047626/  target=_blank>CHEMBL4047626</a>";;;;;;;;;-6.22;;;;;;;;;;;;"Bhide RS, Keon A, Weigelt C, Sack JS, Schmidt RJ, Lin S, Xiao HY, Spergel SH, Kempson J, Pitts WJ, Carman J, Poss MA.: Discovery and structure-based design of 4,6-diaminonicotinamides as potent and selective IRAK4 inhibitors. Bioorg Med Chem Lett, Volume 27 (21), 2017";ChEMBL
MM473414;MM473414;CCS(=O)(=O)Nc1cnc2c(c1)-c1cn(C)c(=O)cc1OCCCCc1cc(Cl)ccc1O2;KDSKWYPIXDDXEG-UHFFFAOYSA-N;489.98;4.37;118137846;;;CHEMBL4075776;GENER;EPAM;25;0;"<a href=https://www.ebi.ac.uk/chembl/assay_report_card/CHEMBL4051120/  target=_blank>CHEMBL4051120</a>";;;;;;;;;-5.14;;;;;;;;;;;;"Wang L, Pratt JK, Soltwedel T, Sheppard GS, Fidanze SD, Liu D, Hasvold LA, Mantei RA, Holms JH, McClellan WJ, Wendt MD, Wada C, Frey R, Hansen TM, Hubbard R, Park CH, Li L, Magoc TJ, Albert DH, Lin X, Warder SE, Kovar P, Huang X, Wilcox D, Wang R, Rajaraman G, Petros AM, Hutchins CW, Panchal SC, Sun C, Elmore SW, Shen Y, Kati WM, McDaniel KF.: Fragment-Based, Structure-Enabled Discovery of Novel Pyridones and Pyridone Macrocycles as Potent Bromodomain and Extra-Terminal Domain (BET) Family Bromodomain Inhibitors. J Med Chem, Volume 60 (9), 2017";ChEMBL
MM474278;MM474278;COc1c(COc2ccc(NS(C)(=O)=O)cc2)cc(N2CCC(=O)NC2=O)cc1C(C)(C)C;RBCHYRIESDBGCR-UHFFFAOYSA-N;475.57;3.39;58195094;;;CHEMBL4075912;GENER;EPAM;25;0;"<a href=https://www.ebi.ac.uk/chembl/assay_report_card/CHEMBL4028508/  target=_blank>CHEMBL4028508</a>";;;;;;;;;-5.13;;;;;;;;;;;;"Randolph JT, Krueger AC, Donner PL, Pratt JK, Liu D, Motter CE, Rockway TW, Tufano MD, Wagner R, Lim HB, Beyer JM, Mondal R, Panchal NS, Colletti L, Liu Y, Koev G, Kati WM, Hernandez LE, Beno DWA, Longenecker KL, Stewart KD, Dumas EO, Molla A, Maring CJ.: Synthesis and Biological Characterization of Aryl Uracil Inhibitors of Hepatitis C Virus NS5B Polymerase: Discovery of ABT-072, a trans-Stilbene Analog with Good Oral Bioavailability. J Med Chem, Volume 61 (3), 2018";ChEMBL
MM472181;MM472181;CNC(=O)c1cnc(Nc2ccc3ncsc3c2)cc1NC(c1ccccc1)C(O)CO;SQGHWOMLSGMJQF-KNQAVFIVSA-N;449.54;3.3;90155577;;;CHEMBL4075955;GENER;EPAM;25;0;"ph = 7.4, <a href=https://www.ebi.ac.uk/chembl/assay_report_card/CHEMBL4047626/  target=_blank>CHEMBL4047626</a>";;;;;;;;;-5.72;;;;;;;;;;;;"Bhide RS, Keon A, Weigelt C, Sack JS, Schmidt RJ, Lin S, Xiao HY, Spergel SH, Kempson J, Pitts WJ, Carman J, Poss MA.: Discovery and structure-based design of 4,6-diaminonicotinamides as potent and selective IRAK4 inhibitors. Bioorg Med Chem Lett, Volume 27 (21), 2017";ChEMBL
MM474261;MM474261;Cc1cc(OCCCc2c(C(=O)Nc3ccc(C(=O)O)cc3)[nH]c3c(-c4c(C)nn(C)c4C)c(Cl)ccc23)cc(C)c1Cl;SWKNMXYCUSMXEK-UHFFFAOYSA-N;619.55;8.07;118394938;;;CHEMBL4076107;GENER;EPAM;25;0;"<a href=https://www.ebi.ac.uk/chembl/assay_report_card/CHEMBL4023197/  target=_blank>CHEMBL4023197</a>";;;;;;;;;-5.92;;;;;;;;;;;;"Shaw S, Bian Z, Zhao B, Tarr JC, Veerasamy N, Jeon KO, Belmar J, Arnold AL, Fogarty SA, Perry E, Sensintaffar JL, Camper DV, Rossanese OW, Lee T, Olejniczak ET, Fesik SW.: Optimization of Potent and Selective Tricyclic Indole Diazepinone Myeloid Cell Leukemia-1 Inhibitors Using Structure-Based Design. J Med Chem, Volume 61 (6), 2018";ChEMBL
MM471694;MM471694;O=S1(=Nc2ccccc2Cl)CCCCC1;OVLAOVWXZWWYPO-UHFFFAOYSA-N;243.76;3.62;;;;;GENER;EPAM;25;0;"ph = 7.4, <a href=https://www.ebi.ac.uk/chembl/assay_report_card/CHEMBL3992821/  target=_blank>CHEMBL3992821</a>";;;;;;;;;-4.92;;;;;;;;;;;;"Frings M, Bolm C, Blum A, Gnamm C.: Sulfoximines from a Medicinal Chemist's Perspective: Physicochemical and in vitro Parameters Relevant for Drug Discovery. Eur J Med Chem, Volume 126, 2017";ChEMBL
MM471572;MM471572;ClC(Cn1ncc2c(Nc3ccccc3)nc(SCCN3CCOCC3)nc21)c1ccccc1;;495.05;4.97;52951665;;;CHEMBL1775035;GENER;EPAM;25;0;"ph = 7.4, <a href=https://www.ebi.ac.uk/chembl/assay_report_card/CHEMBL1775364/  target=_blank>CHEMBL1775364</a>";;;;;;;;;-5;;;;;;;;;;;;"Radi M, Dreassi E, Brullo C, Crespan E, Tintori C, Bernardo V, Valoti M, Zamperini C, Daigl H, Musumeci F, Carraro F, Naldini A, Filippi I, Maga G, Schenone S, Botta M.: Design, synthesis, biological activity, and ADME properties of pyrazolo[3,4-d]pyrimidines active in hypoxic human leukemia cells: a lead optimization study. J Med Chem, Volume 54 (8), 2011";ChEMBL
MM471572;MM471572;ClC(Cn1ncc2c(Nc3ccccc3)nc(SCCN3CCOCC3)nc21)c1ccccc1;;495.05;4.97;52951665;;;CHEMBL1775035;GENER;EPAM;25;0;"<a href=https://www.ebi.ac.uk/chembl/assay_report_card/CHEMBL3395763/  target=_blank>CHEMBL3395763</a>";;;;;;;;;-5;;;;;;;;;;;;"Tintori C, Fallacara AL, Radi M, Zamperini C, Dreassi E, Crespan E, Maga G, Schenone S, Musumeci F, Brullo C, Richters A, Gasparrini F, Angelucci A, Festuccia C, Delle Monache S, Rauh D, Botta M.: Combining X-ray crystallography and molecular modeling toward the optimization of pyrazolo[3,4-d]pyrimidines as potent c-Src inhibitors active in vivo against neuroblastoma. J Med Chem, Volume 58 (1), 2015";ChEMBL
MM472167;MM472167;O=C1Cc2cc(Nc3cc(OC4CCOCC4)c([N+](=O)[O-])cc3Cl)ccc2N1;HYVGIYUMYNDTLT-UHFFFAOYSA-N;403.82;4.04;;;;;GENER;EPAM;25;+1,-1;"ph = 7.4, <a href=https://www.ebi.ac.uk/chembl/assay_report_card/CHEMBL4044892/  target=_blank>CHEMBL4044892</a>";;;;;;;;;-4.54;;;;;;;;;;;;"Yasui T, Yamamoto T, Sakai N, Asano K, Takai T, Yoshitomi Y, Davis M, Takagi T, Sakamoto K, Sogabe S, Kamada Y, Lane W, Snell G, Iwata M, Goto M, Inooka H, Sakamoto JI, Nakada Y, Imaeda Y.: Discovery of a novel B-cell lymphoma 6 (BCL6)-corepressor interaction inhibitor by utilizing structure-based drug design. Bioorg Med Chem, Volume 25 (17), 2017";ChEMBL
MM471433;MM471433;CCCCC(=O)NCC(O)C(O)C1OC(C(=O)O)=CC(O)C1NC(C)=O;XVGFMAMZJCDOSQ-HFTJKPBSSA-N;374.39;-1.75;71559107;;;CHEMBL4076483;GENER;EPAM;25;0;"ph = 7.4, <a href=https://www.ebi.ac.uk/chembl/assay_report_card/CHEMBL4059390/  target=_blank>CHEMBL4059390</a>";;;;;;;;;-8.3;;;;;;;;;;;;"Guo T, Dätwyler P, Demina E, Richards MR, Ge P, Zou C, Zheng R, Fougerat A, Pshezhetsky AV, Ernst B, Cairo CW.: Selective Inhibitors of Human Neuraminidase 3. J Med Chem, Volume 61 (5), 2018";ChEMBL
MM471571;MM471571;Clc1cccc(Nc2nc(SCCN3CCOCC3)nc3c2cnn3CC(Cl)c2ccccc2)c1;;529.5;5.63;52951664;;;CHEMBL1775036;GENER;EPAM;25;0;"<a href=https://www.ebi.ac.uk/chembl/assay_report_card/CHEMBL2073061/  target=_blank>CHEMBL2073061</a>";;;;;;;;;-5.52;;;;;;;;;;;;"Radi M, Evensen L, Dreassi E, Zamperini C, Caporicci M, Falchi F, Musumeci F, Schenone S, Lorens JB, Botta M.: A combined targeted/phenotypic approach for the identification of new antiangiogenics agents active on a zebrafish model: from in silico screening to cyclodextrin formulation. Bioorg Med Chem Lett, Volume 22 (17), 2012";ChEMBL
MM471571;MM471571;Clc1cccc(Nc2nc(SCCN3CCOCC3)nc3c2cnn3CC(Cl)c2ccccc2)c1;;529.5;5.63;52951664;;;CHEMBL1775036;GENER;EPAM;25;0;"ph = 7.4, <a href=https://www.ebi.ac.uk/chembl/assay_report_card/CHEMBL1775364/  target=_blank>CHEMBL1775364</a>";;;;;;;;;-5.02;;;;;;;;;;;;"Radi M, Dreassi E, Brullo C, Crespan E, Tintori C, Bernardo V, Valoti M, Zamperini C, Daigl H, Musumeci F, Carraro F, Naldini A, Filippi I, Maga G, Schenone S, Botta M.: Design, synthesis, biological activity, and ADME properties of pyrazolo[3,4-d]pyrimidines active in hypoxic human leukemia cells: a lead optimization study. J Med Chem, Volume 54 (8), 2011";ChEMBL
MM474583;MM474583;Cc1cc(C#N)ccc1-c1cccc2ncnn12;URBXKEHMAICHMQ-UHFFFAOYSA-N;234.26;2.58;;;;;GENER;EPAM;25;0;"<a href=https://www.ebi.ac.uk/chembl/assay_report_card/CHEMBL4017311/  target=_blank>CHEMBL4017311</a>";;;;;;;;;-4.39;;;;;;;;;;;;"Ahmed S, Ayscough A, Barker GR, Canning HE, Davenport R, Downham R, Harrison D, Jenkins K, Kinsella N, Livermore DG, Wright S, Ivetac AD, Skene R, Wilkens SJ, Webster NA, Hendrick AG.: 1,2,4-Triazolo-[1,5-a]pyridine HIF Prolylhydroxylase Domain-1 (PHD-1) Inhibitors With a Novel Monodentate Binding Interaction. J Med Chem, Volume 60 (13), 2017";ChEMBL
MM471571;MM471571;Clc1cccc(Nc2nc(SCCN3CCOCC3)nc3c2cnn3CC(Cl)c2ccccc2)c1;;529.5;5.63;52951664;;;CHEMBL1775036;GENER;EPAM;25;0;"<a href=https://www.ebi.ac.uk/chembl/assay_report_card/CHEMBL3395763/  target=_blank>CHEMBL3395763</a>";;;;;;;;;-5.02;;;;;;;;;;;;"Tintori C, Fallacara AL, Radi M, Zamperini C, Dreassi E, Crespan E, Maga G, Schenone S, Musumeci F, Brullo C, Richters A, Gasparrini F, Angelucci A, Festuccia C, Delle Monache S, Rauh D, Botta M.: Combining X-ray crystallography and molecular modeling toward the optimization of pyrazolo[3,4-d]pyrimidines as potent c-Src inhibitors active in vivo against neuroblastoma. J Med Chem, Volume 58 (1), 2015";ChEMBL
MM471706;MM471706;C[S@](=O)(=Nc1ccc(C(F)(F)F)cc1)c1ccccc1;GKHOMOKIJWOGMS-HXUWFJFHSA-N;299.32;4.49;;;;;GENER;EPAM;25;0;"ph = 7.4, <a href=https://www.ebi.ac.uk/chembl/assay_report_card/CHEMBL3992821/  target=_blank>CHEMBL3992821</a>";;;;;;;;;-5.6;;;;;;;;;;;;"Frings M, Bolm C, Blum A, Gnamm C.: Sulfoximines from a Medicinal Chemist's Perspective: Physicochemical and in vitro Parameters Relevant for Drug Discovery. Eur J Med Chem, Volume 126, 2017";ChEMBL
MM473371;MM473371;CCOC(=O)C1=C(CN2CCOC[C@H]2C(=O)O)NC(c2nccs2)=N[C@H]1c1cccc(F)c1Cl;KSGFNWUBFOZLKL-YJBOKZPZSA-N;508.96;2.63;;;;;GENER;EPAM;25;0;"<a href=https://www.ebi.ac.uk/chembl/assay_report_card/CHEMBL4011436/  target=_blank>CHEMBL4011436</a>";;;;;;;;;-5.48;;;;;;;;;;;;"Qiu Z, Lin X, Zhang W, Zhou M, Guo L, Kocer B, Wu G, Zhang Z, Liu H, Shi H, Kou B, Hu T, Hu Y, Huang M, Yan SF, Xu Z, Zhou Z, Qin N, Wang YF, Ren S, Qiu H, Zhang Y, Zhang Y, Wu X, Sun K, Zhong S, Xie J, Ottaviani G, Zhou Y, Zhu L, Tian X, Shi L, Shen F, Mao Y, Zhou X, Gao L, Young JAT, Wu JZ, Yang G, Mayweg AV, Shen HC, Tang G, Zhu W.: Discovery and Pre-Clinical Characterization of Third-Generation 4-H Heteroaryldihydropyrimidine (HAP) Analogues as Hepatitis B Virus (HBV) Capsid Inhibitors. J Med Chem, Volume 60 (8), 2017";ChEMBL
MM472169;MM472169;O=c1[nH]c2ccc(Nc3cc(NC4CCOCC4)c([N+](=O)[O-])cc3Cl)cc2[nH]1;ZKYCDDDSQVOERN-UHFFFAOYSA-N;403.83;3.75;;;;;GENER;EPAM;25;+1,-1;"ph = 7.4, <a href=https://www.ebi.ac.uk/chembl/assay_report_card/CHEMBL4044892/  target=_blank>CHEMBL4044892</a>";;;;;;;;;-5;;;;;;;;;;;;"Yasui T, Yamamoto T, Sakai N, Asano K, Takai T, Yoshitomi Y, Davis M, Takagi T, Sakamoto K, Sogabe S, Kamada Y, Lane W, Snell G, Iwata M, Goto M, Inooka H, Sakamoto JI, Nakada Y, Imaeda Y.: Discovery of a novel B-cell lymphoma 6 (BCL6)-corepressor interaction inhibitor by utilizing structure-based drug design. Bioorg Med Chem, Volume 25 (17), 2017";ChEMBL
MM472786;MM472786;Cc1ccc(N2CCc3cc(O)ccc3C2(C)c2ccc(C=CC(=O)O)cc2)cc1;VNCUOVJKXRLLAU-VGOFMYFVSA-N;399.49;5.12;118184807;;;CHEMBL4076649;GENER;EPAM;25;0;"<a href=https://www.ebi.ac.uk/chembl/assay_report_card/CHEMBL4011153/  target=_blank>CHEMBL4011153</a>";;;;;;;;;-4;;;;;;;;;;;;"Burks HE, Abrams T, Kirby CA, Baird J, Fekete A, Hamann LG, Kim S, Lombardo F, Loo A, Lubicka D, Macchi K, McDonnell DP, Mishina Y, Norris JD, Nunez J, Saran C, Sun Y, Thomsen NM, Wang C, Wang J, Peukert S.: Discovery of an Acrylic Acid Based Tetrahydroisoquinoline as an Orally Bioavailable Selective Estrogen Receptor Degrader for ERα+ Breast Cancer. J Med Chem, Volume 60 (7), 2017";ChEMBL
MM471703;MM471703;O=S1(=Nc2ccc(C(F)(F)F)cc2)CCCC1;UREBGVVUNJWDAC-UHFFFAOYSA-N;263.28;3.6;;;;;GENER;EPAM;25;0;"ph = 7.4, <a href=https://www.ebi.ac.uk/chembl/assay_report_card/CHEMBL3992821/  target=_blank>CHEMBL3992821</a>";;;;;;;;;-5.06;;;;;;;;;;;;"Frings M, Bolm C, Blum A, Gnamm C.: Sulfoximines from a Medicinal Chemist's Perspective: Physicochemical and in vitro Parameters Relevant for Drug Discovery. Eur J Med Chem, Volume 126, 2017";ChEMBL
MM473416;MM473416;Cn1cc2c(cc1=O)OCCCCc1cc(Cl)ccc1Oc1ncc(CS(C)(=O)=O)cc1-2;UOKIJOMSTWVTHP-UHFFFAOYSA-N;474.97;4.15;118137765;;;CHEMBL4077124;GENER;EPAM;25;0;"<a href=https://www.ebi.ac.uk/chembl/assay_report_card/CHEMBL4051120/  target=_blank>CHEMBL4051120</a>";;;;;;;;;-4.92;;;;;;;;;;;;"Wang L, Pratt JK, Soltwedel T, Sheppard GS, Fidanze SD, Liu D, Hasvold LA, Mantei RA, Holms JH, McClellan WJ, Wendt MD, Wada C, Frey R, Hansen TM, Hubbard R, Park CH, Li L, Magoc TJ, Albert DH, Lin X, Warder SE, Kovar P, Huang X, Wilcox D, Wang R, Rajaraman G, Petros AM, Hutchins CW, Panchal SC, Sun C, Elmore SW, Shen Y, Kati WM, McDaniel KF.: Fragment-Based, Structure-Enabled Discovery of Novel Pyridones and Pyridone Macrocycles as Potent Bromodomain and Extra-Terminal Domain (BET) Family Bromodomain Inhibitors. J Med Chem, Volume 60 (9), 2017";ChEMBL
MM472185;MM472185;CNC(=O)c1cnc(Nc2ccc3c(cnn3C)c2)cc1NC(c1ccccc1)C(O)CO;XMLVFEZOONZFRD-GGAORHGYSA-N;446.51;2.58;137650526;;;CHEMBL4077863;GENER;EPAM;25;0;"ph = 7.4, <a href=https://www.ebi.ac.uk/chembl/assay_report_card/CHEMBL4047626/  target=_blank>CHEMBL4047626</a>";;;;;;;;;-5.96;;;;;;;;;;;;"Bhide RS, Keon A, Weigelt C, Sack JS, Schmidt RJ, Lin S, Xiao HY, Spergel SH, Kempson J, Pitts WJ, Carman J, Poss MA.: Discovery and structure-based design of 4,6-diaminonicotinamides as potent and selective IRAK4 inhibitors. Bioorg Med Chem Lett, Volume 27 (21), 2017";ChEMBL
MM474580;MM474580;S=P(S)(NCc1ccccc1)c1ccc(Oc2ccccc2)cc1;YZVIVAKGKDJJOP-UHFFFAOYSA-N;371.47;5.13;122186098;;;CHEMBL4078385;GENER;EPAM;25;0;"<a href=https://www.ebi.ac.uk/chembl/assay_report_card/CHEMBL4003984/  target=_blank>CHEMBL4003984</a>";;;;;;;;;-5.72;;;;;;;;;;;;"Feng W, Novera W, Peh K, Neo D, Ramanujulu PM, Moore PK, Deng LW, Dymock BW.: Discovery of medium ring thiophosphorus based heterocycles as antiproliferative agents. Bioorg Med Chem Lett, Volume 27 (4), 2017";ChEMBL
MM473361;MM473361;COc1ccc2nc(C)cc(OCC(=O)Nc3ccc(C)cc3)c2c1;YBPDZWHPUWTGQL-UHFFFAOYSA-N;336.39;3.88;;;;;GENER;EPAM;25;0;"<a href=https://www.ebi.ac.uk/chembl/assay_report_card/CHEMBL4003192/  target=_blank>CHEMBL4003192</a>";;;;;;;;;-4.94;;;;;;;;;;;;"Giacobbo BC, Pissinate K, Rodrigues-Junior V, Villela AD, Grams ES, Abbadi BL, Subtil FT, Sperotto N, Trindade RV, Back DF, Campos MM, Basso LA, Machado P, Santos DS.: New insights into the SAR and drug combination synergy of 2-(quinolin-4-yloxy)acetamides against Mycobacterium tuberculosis. Eur J Med Chem, Volume 126, 2017";ChEMBL
MM473403;MM473403;Cc1ccccc1-c1nc(CN2CCC(C(=O)NCCCCN3CC(C)CC(C)C3)CC2)c(C)o1;HRRLWWREWRTQPR-SZPZYZBQSA-N;480.7;5.04;137650838;;;CHEMBL4079236;GENER;EPAM;25;0;"<a href=https://www.ebi.ac.uk/chembl/assay_report_card/CHEMBL4039805/  target=_blank>CHEMBL4039805</a>";;;;;;;;;-3.54;;;;;;;;;;;;"He S, Li K, Lin B, Hu Z, Xiao J, Hu X, Wang AQ, Xu X, Ferrer M, Southall N, Zheng W, Aubé J, Schoenen FJ, Marugan JJ, Liang TJ, Frankowski KJ.: Development of an Aryloxazole Class of Hepatitis C Virus Inhibitors Targeting the Entry Stage of the Viral Replication Cycle. J Med Chem, Volume 60 (14), 2017";ChEMBL
MM474254;MM474254;CN1CCN(CCOC(=O)N(c2ccccc2)c2ncnc3c2cnn3CC(Cl)c2ccc(Br)cc2)CC1;;598.93;5.09;121316139;;;CHEMBL4080000;GENER;EPAM;25;0;"<a href=https://www.ebi.ac.uk/chembl/assay_report_card/CHEMBL4013498/  target=_blank>CHEMBL4013498</a>";;;;;;;;;-5;;;;;;;;;;;;"Vignaroli G, Iovenitti G, Zamperini C, Coniglio F, Calandro P, Molinari A, Fallacara AL, Sartucci A, Calgani A, Colecchia D, Mancini A, Festuccia C, Dreassi E, Valoti M, Musumeci F, Chiariello M, Angelucci A, Botta M, Schenone S.: Prodrugs of Pyrazolo[3,4-d]pyrimidines: From Library Synthesis to Evaluation as Potential Anticancer Agents in an Orthotopic Glioblastoma Model. J Med Chem, Volume 60 (14), 2017";ChEMBL
MM473369;MM473369;CN(C)C1CN(C2CCc3cccc(F)c32)CC1c1cn(C)c2ccccc12;XAWMNFFOVCNWGF-OIBXWCBGSA-N;377.51;4.33;123132216;;;CHEMBL4080018;GENER;EPAM;25;0;"<a href=https://www.ebi.ac.uk/chembl/assay_report_card/CHEMBL4007113/  target=_blank>CHEMBL4007113</a>";;;;;;;;;-6;;;;;;;;;;;;"Curtin ML, Pliushchev MA, Li HQ, Torrent M, Dietrich JD, Jakob CG, Zhu H, Zhao H, Wang Y, Ji Z, Clark RF, Sarris KA, Selvaraju S, Shaw B, Algire MA, He Y, Richardson PL, Sweis RF, Sun C, Chiang GG, Michaelides MR.: SAR of amino pyrrolidines as potent and novel protein-protein interaction inhibitors of the PRC2 complex through EED binding. Bioorg Med Chem Lett, Volume 27 (7), 2017";ChEMBL
MM471695;MM471695;O=S1(=Nc2cccnc2)CCCCC1;AMUFLKJMKKCEFN-UHFFFAOYSA-N;210.3;2.37;;;;;GENER;EPAM;25;0;"ph = 7.4, <a href=https://www.ebi.ac.uk/chembl/assay_report_card/CHEMBL3992821/  target=_blank>CHEMBL3992821</a>";;;;;;;;;-5.24;;;;;;;;;;;;"Frings M, Bolm C, Blum A, Gnamm C.: Sulfoximines from a Medicinal Chemist's Perspective: Physicochemical and in vitro Parameters Relevant for Drug Discovery. Eur J Med Chem, Volume 126, 2017";ChEMBL
MM472126;MM472126;CS(=O)(=O)NC(=O)c1ccc(Nc2nc(NC3(c4ccc(Cl)cc4)CC3)nc(OCC(F)(F)F)n2)cc1;FTIQFVGYJQEBJD-UHFFFAOYSA-N;556.95;4;56838456;;;CHEMBL4080148;GENER;EPAM;25;0;"ph = 7.4, <a href=https://www.ebi.ac.uk/chembl/assay_report_card/CHEMBL4004073/  target=_blank>CHEMBL4004073</a>";;;;;;;;;-5.96;;;;;;;;;;;;"Mull ES, Sun LQ, Zhao Q, Eggers B, Pokornowski K, Zhai G, Rajamani R, Jenkins S, Kramer M, Wang YK, Fang H, Tenney D, Baldick CJ, Cockett MI, Meanwell NA, Scola PM.: Functionalized triazines as potent HCV entry inhibitors. Bioorg Med Chem Lett, Volume 27 (4), 2017";ChEMBL
MM473407;MM473407;Cc1cccc(-c2nc(CN3CCC(C(=O)NCCCN4CC(C)CC(C)C4)CC3)c(C)o2)c1;ITXSUUKLEMBCQO-SZPZYZBQSA-N;466.67;4.65;70789637;;;CHEMBL4080149;GENER;EPAM;25;0;"<a href=https://www.ebi.ac.uk/chembl/assay_report_card/CHEMBL4039805/  target=_blank>CHEMBL4039805</a>";;;;;;;;;-3.55;;;;;;;;;;;;"He S, Li K, Lin B, Hu Z, Xiao J, Hu X, Wang AQ, Xu X, Ferrer M, Southall N, Zheng W, Aubé J, Schoenen FJ, Marugan JJ, Liang TJ, Frankowski KJ.: Development of an Aryloxazole Class of Hepatitis C Virus Inhibitors Targeting the Entry Stage of the Viral Replication Cycle. J Med Chem, Volume 60 (14), 2017";ChEMBL
MM474318;MM474318;CNC(=O)C(NC(=O)c1ccc(-c2ccc(CSc3nc4c(c(=O)[nH]3)CCC4)c(F)c2)o1)C(C)C;NWCGLZSPRJCLHZ-NRFANRHFSA-N;498.58;3.45;137646865;;;CHEMBL4080520;GENER;EPAM;25;0;"<a href=https://www.ebi.ac.uk/chembl/assay_report_card/CHEMBL4158210/  target=_blank>CHEMBL4158210</a>";;;;;;;;;-5.62;;;;;;;;;;;;"Fuerst R, Yong Choi J, Knapinska AM, Smith L, Cameron MD, Ruiz C, Fields GB, Roush WR.: Development of matrix metalloproteinase-13 inhibitors - A structure-activity/structure-property relationship study. Bioorg Med Chem, Volume 26 (18), 2018";ChEMBL
MM472004;MM472004;CC(Nc1ccc(-c2ccnn2C)nc1)C(=O)Nc1ccc(-c2ccccc2)cn1;XZJWCJMLDPTODI-INIZCTEOSA-N;398.47;3.98;122234475;;;CHEMBL4080842;GENER;EPAM;25;0;"ph = 7.4, <a href=https://www.ebi.ac.uk/chembl/assay_report_card/CHEMBL4000300/  target=_blank>CHEMBL4000300</a>";;;;;;;;;-3.95;;;;;;;;;;;;"Duraiswamy AJ, Lee MA, Madan B, Ang SH, Tan ES, Cheong WW, Ke Z, Pendharkar V, Ding LJ, Chew YS, Manoharan V, Sangthongpitag K, Alam J, Poulsen A, Ho SY, Virshup DM, Keller TH.: Discovery and Optimization of a Porcupine Inhibitor. J Med Chem, Volume 58 (15), 2015";ChEMBL
MM474274;MM474274;COc1c(C2CC2c2ccc(NS(C)(=O)=O)cc2)cc(N2CCC(=O)NC2=O)cc1C(C)(C)C;HEKAVWSAFBOGOD-UHFFFAOYSA-N;485.61;4.08;25234772;;;CHEMBL4080903;GENER;EPAM;25;0;"<a href=https://www.ebi.ac.uk/chembl/assay_report_card/CHEMBL4028508/  target=_blank>CHEMBL4028508</a>";;;;;;;;;-5.55;;;;;;;;;;;;"Randolph JT, Krueger AC, Donner PL, Pratt JK, Liu D, Motter CE, Rockway TW, Tufano MD, Wagner R, Lim HB, Beyer JM, Mondal R, Panchal NS, Colletti L, Liu Y, Koev G, Kati WM, Hernandez LE, Beno DWA, Longenecker KL, Stewart KD, Dumas EO, Molla A, Maring CJ.: Synthesis and Biological Characterization of Aryl Uracil Inhibitors of Hepatitis C Virus NS5B Polymerase: Discovery of ABT-072, a trans-Stilbene Analog with Good Oral Bioavailability. J Med Chem, Volume 61 (3), 2018";ChEMBL
MM471701;MM471701;CS(=O)(=Nc1ccc(C(F)(F)F)cc1)C1CCOCC1;PDAAXDQLFGHKQJ-UHFFFAOYSA-N;307.34;3.61;;;;;GENER;EPAM;25;0;"ph = 7.4, <a href=https://www.ebi.ac.uk/chembl/assay_report_card/CHEMBL3992821/  target=_blank>CHEMBL3992821</a>";;;;;;;;;-5.02;;;;;;;;;;;;"Frings M, Bolm C, Blum A, Gnamm C.: Sulfoximines from a Medicinal Chemist's Perspective: Physicochemical and in vitro Parameters Relevant for Drug Discovery. Eur J Med Chem, Volume 126, 2017";ChEMBL
MM472139;MM472139;O=C(NS(=O)(=O)CCNCc1ccccc1)c1ccc(Nc2nc(NC3(c4ccc(Cl)cc4)CC3)nc(OCC(F)(F)F)n2)cc1;BBXJNQUTWAPTJR-UHFFFAOYSA-N;676.12;5.16;;;;;GENER;EPAM;25;0;"ph = 7.4, <a href=https://www.ebi.ac.uk/chembl/assay_report_card/CHEMBL4004073/  target=_blank>CHEMBL4004073</a>";;;;;;;;;-5.31;;;;;;;;;;;;"Mull ES, Sun LQ, Zhao Q, Eggers B, Pokornowski K, Zhai G, Rajamani R, Jenkins S, Kramer M, Wang YK, Fang H, Tenney D, Baldick CJ, Cockett MI, Meanwell NA, Scola PM.: Functionalized triazines as potent HCV entry inhibitors. Bioorg Med Chem Lett, Volume 27 (4), 2017";ChEMBL
MM474598;MM474598;N#CC1(NC(=O)C(Cc2ccc(OC(F)(F)F)c(Cl)c2)NC(=O)c2cnn(-c3cccnc3)n2)CC1;LWKXXMIGWXDPTM-INIZCTEOSA-N;519.87;2.73;129164701;;;CHEMBL4081213;GENER;EPAM;25;0;"<a href=https://www.ebi.ac.uk/chembl/assay_report_card/CHEMBL4049106/  target=_blank>CHEMBL4049106</a>";;;;;;;;;-6.35;;;;;;;;;;;;"Giroud M, Kuhn B, Saint-Auret S, Kuratli C, Martin RE, Schuler F, Diederich F, Kaiser M, Brun R, Schirmeister T, Haap W.: 2 H-1,2,3-Triazole-Based Dipeptidyl Nitriles: Potent, Selective, and Trypanocidal Rhodesain Inhibitors by Structure-Based Design. J Med Chem, Volume 61 (8), 2018";ChEMBL
MM472150;MM472150;CCn1nc(-c2cccc3cccnc23)cc1-c1ccc(N)nn1;;316.37;3.16;137647635;;;CHEMBL4081247;GENER;EPAM;25;0;"ph = 5.5, <a href=https://www.ebi.ac.uk/chembl/assay_report_card/CHEMBL4013341/  target=_blank>CHEMBL4013341</a>";;;;;;;;;-4.14;;;;;;;;;;;;"Carpenter J, Wang Y, Wu G, Feng J, Ye XY, Morales CL, Broekema M, Rossi KA, Miller KJ, Murphy BJ, Wu G, Malmstrom SE, Azzara AV, Sher PM, Fevig JM, Alt A, Bertekap RL, Cullen MJ, Harper TM, Foster K, Luk E, Xiang Q, Grubb MF, Robl JA, Wacker DA.: Utilization of an Active Site Mutant Receptor for the Identification of Potent and Selective Atypical 5-HT<sub>2C</sub> Receptor Agonists. J Med Chem, Volume 60 (14), 2017";ChEMBL
MM472150;MM472150;CCn1nc(-c2cccc3cccnc23)cc1-c1ccc(N)nn1;;316.37;3.16;137647635;;;CHEMBL4081247;GENER;EPAM;25;0;"ph = 7.4, <a href=https://www.ebi.ac.uk/chembl/assay_report_card/CHEMBL4013342/  target=_blank>CHEMBL4013342</a>";;;;;;;;;-4.05;;;;;;;;;;;;"Carpenter J, Wang Y, Wu G, Feng J, Ye XY, Morales CL, Broekema M, Rossi KA, Miller KJ, Murphy BJ, Wu G, Malmstrom SE, Azzara AV, Sher PM, Fevig JM, Alt A, Bertekap RL, Cullen MJ, Harper TM, Foster K, Luk E, Xiang Q, Grubb MF, Robl JA, Wacker DA.: Utilization of an Active Site Mutant Receptor for the Identification of Potent and Selective Atypical 5-HT<sub>2C</sub> Receptor Agonists. J Med Chem, Volume 60 (14), 2017";ChEMBL
MM472193;MM472193;c1cncc(CN(CCCCN(CC2Cc3ccccc3CN2)C2CCCc3cccnc32)Cc2cccnc2)c1;;546.76;5.75;137647643;;;CHEMBL4081338;GENER;EPAM;25;0;"ph = 5.5, <a href=https://www.ebi.ac.uk/chembl/assay_report_card/CHEMBL4059169/  target=_blank>CHEMBL4059169</a>";;;;;;;;;-5.04;;;;;;;;;;;;"Miller EJ, Jecs E, Truax VM, Katzman BM, Tahirovic YA, Wilson RJ, Kuo KM, Kim MB, Nguyen HH, Saindane MT, Zhao H, Wang T, Sum CS, Cvijic ME, Schroeder GM, Wilson LJ, Liotta DC.: Discovery of Tetrahydroisoquinoline-Containing CXCR4 Antagonists with Improved in Vitro ADMET Properties. J Med Chem, Volume 61 (3), 2018";ChEMBL
MM472193;MM472193;c1cncc(CN(CCCCN(CC2Cc3ccccc3CN2)C2CCCc3cccnc32)Cc2cccnc2)c1;;546.76;5.75;137647643;;;CHEMBL4081338;GENER;EPAM;25;0;"ph = 7.4, <a href=https://www.ebi.ac.uk/chembl/assay_report_card/CHEMBL4059168/  target=_blank>CHEMBL4059168</a>";;;;;;;;;-4.36;;;;;;;;;;;;"Miller EJ, Jecs E, Truax VM, Katzman BM, Tahirovic YA, Wilson RJ, Kuo KM, Kim MB, Nguyen HH, Saindane MT, Zhao H, Wang T, Sum CS, Cvijic ME, Schroeder GM, Wilson LJ, Liotta DC.: Discovery of Tetrahydroisoquinoline-Containing CXCR4 Antagonists with Improved in Vitro ADMET Properties. J Med Chem, Volume 61 (3), 2018";ChEMBL
MM472358;MM472358;CN(Cc1cccc(CNc2ccnc3cc(Cl)ccc23)c1)Cc1ccccn1;;402.93;5.53;70920436;;;CHEMBL4081368;GENER;EPAM;25;0;"ph = 4, <a href=https://www.ebi.ac.uk/chembl/assay_report_card/CHEMBL4027134/  target=_blank>CHEMBL4027134</a>";;;;;;;;;-3.81;;;;;;;;;;;;"Joshi MC, Okombo J, Nsumiwa S, Ndove J, Taylor D, Wiesner L, Hunter R, Chibale K, Egan TJ.: 4-Aminoquinoline Antimalarials Containing a Benzylmethylpyridylmethylamine Group Are Active against Drug Resistant Plasmodium falciparum and Exhibit Oral Activity in Mice. J Med Chem, Volume 60 (24), 2017";ChEMBL
MM472358;MM472358;CN(Cc1cccc(CNc2ccnc3cc(Cl)ccc23)c1)Cc1ccccn1;;402.93;5.53;70920436;;;CHEMBL4081368;GENER;EPAM;25;0;"ph = 6.5, <a href=https://www.ebi.ac.uk/chembl/assay_report_card/CHEMBL4027135/  target=_blank>CHEMBL4027135</a>";;;;;;;;;-4.1;;;;;;;;;;;;"Joshi MC, Okombo J, Nsumiwa S, Ndove J, Taylor D, Wiesner L, Hunter R, Chibale K, Egan TJ.: 4-Aminoquinoline Antimalarials Containing a Benzylmethylpyridylmethylamine Group Are Active against Drug Resistant Plasmodium falciparum and Exhibit Oral Activity in Mice. J Med Chem, Volume 60 (24), 2017";ChEMBL
MM471705;MM471705;O=S1(=Nc2ccc(C(F)(F)F)cc2)CCNCC1;VDENYWYNQZVVRI-UHFFFAOYSA-N;278.3;2.41;;;;;GENER;EPAM;25;0;"ph = 7.4, <a href=https://www.ebi.ac.uk/chembl/assay_report_card/CHEMBL3992821/  target=_blank>CHEMBL3992821</a>";;;;;;;;;-5.08;;;;;;;;;;;;"Frings M, Bolm C, Blum A, Gnamm C.: Sulfoximines from a Medicinal Chemist's Perspective: Physicochemical and in vitro Parameters Relevant for Drug Discovery. Eur J Med Chem, Volume 126, 2017";ChEMBL
MM472356;MM472356;N#Cc1c(-c2ccc(C(F)(F)F)cc2)c(F)c(NCCN2CCC(O)C2)n2c1nc1ccccc12;OGZCJGDPIPHRNU-UHFFFAOYSA-N;483.47;4.66;137648569;;;CHEMBL4081540;GENER;EPAM;25;0;"ph = 6.5, <a href=https://www.ebi.ac.uk/chembl/assay_report_card/CHEMBL3996779/  target=_blank>CHEMBL3996779</a>";;;;;;;;;-5.3;;;;;;;;;;;;"Singh K, Okombo J, Brunschwig C, Ndubi F, Barnard L, Wilkinson C, Njogu PM, Njoroge M, Laing L, Machado M, Prudêncio M, Reader J, Botha M, Nondaba S, Birkholtz LM, Lauterbach S, Churchyard A, Coetzer TL, Burrows JN, Yeates C, Denti P, Wiesner L, Egan TJ, Wittlin S, Chibale K.: Antimalarial Pyrido[1,2-a]benzimidazoles: Lead Optimization, Parasite Life Cycle Stage Profile, Mechanistic Evaluation, Killing Kinetics, and in Vivo Oral Efficacy in a Mouse Model. J Med Chem, Volume 60 (4), 2017";ChEMBL
Daunorubicin;MM00473;COc1cccc2c1C(=O)c1c(O)c3c(c(O)c1C2=O)CC(O)(C(C)=O)CC3OC1CC(N)C(O)C(C)O1;STQGQHZAVUOBTE-UHFFFAOYSA-N;527.53;1.03;30323;DB00694;DM1;CHEMBL178;GENER;EPAM;25;0;"ph = 6.5, <a href=https://www.ebi.ac.uk/chembl/assay_report_card/CHEMBL1046150/  target=_blank>CHEMBL1046150</a>";;;;;;;;;-6.52;;;;;;;;;;;;"Tam KY, Avdeef A, Tsinman O, Sun N.: The permeation of amphoteric drugs through artificial membranes--an in combo absorption model based on paracellular and transmembrane permeability. J Med Chem, Volume 53 (1), 392-401, 2010";ChEMBL
MM472140;MM472140;CC(=O)NCCS(=O)(=O)NC(=O)c1ccc(Nc2nc(NC3(c4ccc(Cl)cc4)CC3)nc(OCC(F)(F)F)n2)cc1;IVWCRTMADRUUFH-UHFFFAOYSA-N;628.03;3.51;68033116;;;CHEMBL4081611;GENER;EPAM;25;0;"ph = 7.4, <a href=https://www.ebi.ac.uk/chembl/assay_report_card/CHEMBL4004073/  target=_blank>CHEMBL4004073</a>";;;;;;;;;-6.15;;;;;;;;;;;;"Mull ES, Sun LQ, Zhao Q, Eggers B, Pokornowski K, Zhai G, Rajamani R, Jenkins S, Kramer M, Wang YK, Fang H, Tenney D, Baldick CJ, Cockett MI, Meanwell NA, Scola PM.: Functionalized triazines as potent HCV entry inhibitors. Bioorg Med Chem Lett, Volume 27 (4), 2017";ChEMBL
MM471641;MM471641;CNC(=C[N+](=O)[O-])NCCSCc1ccc(CN(C)C)o1;;314.41;1.46;;;;CHEMBL1790041;GENER;EPAM;25;+1,-1;"<a href=https://www.ebi.ac.uk/chembl/assay_report_card/CHEMBL1176651/  target=_blank>CHEMBL1176651</a>";;;;;;;;;-5.26;;;;;;;;;;;;"Mahindroo N, Connelly MC, Punchihewa C, Yang L, Yan B, Fujii N.: Amide conjugates of ketoprofen and indole as inhibitors of Gli1-mediated transcription in the Hedgehog pathway. Bioorg Med Chem, Volume 18 (13), 2010";ChEMBL
MM473398;MM473398;Cc1ccccc1-c1nc(CN2CCC(C(=O)NCCCN3CCC(C)(C)CC3)CC2)c(C)o1;KKACEYZSTCDBIG-UHFFFAOYSA-N;466.67;4.8;71563365;;;CHEMBL4081629;GENER;EPAM;25;0;"<a href=https://www.ebi.ac.uk/chembl/assay_report_card/CHEMBL4039805/  target=_blank>CHEMBL4039805</a>";;;;;;;;;-3.62;;;;;;;;;;;;"He S, Li K, Lin B, Hu Z, Xiao J, Hu X, Wang AQ, Xu X, Ferrer M, Southall N, Zheng W, Aubé J, Schoenen FJ, Marugan JJ, Liang TJ, Frankowski KJ.: Development of an Aryloxazole Class of Hepatitis C Virus Inhibitors Targeting the Entry Stage of the Viral Replication Cycle. J Med Chem, Volume 60 (14), 2017";ChEMBL
MM471641;MM471641;CNC(=C[N+](=O)[O-])NCCSCc1ccc(CN(C)C)o1;;314.41;1.46;;;;CHEMBL1790041;GENER;EPAM;25;+1,-1;"ph = 7.4, <a href=https://www.ebi.ac.uk/chembl/assay_report_card/CHEMBL3374903/  target=_blank>CHEMBL3374903</a>";;;;;;;;;-6.85;;;;;;;;;;;;"Boland S, Alen J, Bourin A, Castermans K, Boumans N, Panitti L, Vanormelingen J, Leysen D, Defert O.: Novel Roflumilast analogs as soft PDE4 inhibitors. Bioorg Med Chem Lett, Volume 24 (18), 2014";ChEMBL
MM473418;MM473418;Cc1cn2cc(NC(=O)c3ccc(N4CCN(C)CC4)cc3)nc2c(C)n1;TVJPLGCKQZRBMI-UHFFFAOYSA-N;364.45;2.35;137647660;;;CHEMBL4081789;GENER;EPAM;25;0;"<a href=https://www.ebi.ac.uk/chembl/assay_report_card/CHEMBL4052074/  target=_blank>CHEMBL4052074</a>";;;;;;;;;-5.62;;;;;;;;;;;;"Pinard E, Green L, Reutlinger M, Weetall M, Naryshkin NA, Baird J, Chen KS, Paushkin SV, Metzger F, Ratni H.: Discovery of a Novel Class of Survival Motor Neuron 2 Splicing Modifiers for the Treatment of Spinal Muscular Atrophy. J Med Chem, Volume 60 (10), 2017";ChEMBL
MM474587;MM474587;Cc1cc(C)cc(NC(=O)COc2ccnc3ccccc23)c1;BKECZPGIXQEFOG-UHFFFAOYSA-N;306.37;3.87;;;;;GENER;EPAM;25;0;"<a href=https://www.ebi.ac.uk/chembl/assay_report_card/CHEMBL4042140/  target=_blank>CHEMBL4042140</a>";;;;;;;;;-4.34;;;;;;;;;;;;"Pitta E, Balabon O, Rogacki MK, Gómez J, Cunningham F, Joosens J, Augustyns K, van der Veken P, Bates R.: Differential characterization using readily accessible NMR experiments of novel N- and O-alkylated quinolin-4-ol, 1,5-naphthyridin-4-ol and quinazolin-4-ol derivatives with antimycobacterial activity. Eur J Med Chem, Volume 125, 2017";ChEMBL
MM474581;MM474581;CC(=O)Nc1cc(-c2ccc(C#N)cc2C)n2ncnc2c1;SOADHZFGKVPPAW-UHFFFAOYSA-N;291.31;2.53;;;;;GENER;EPAM;25;0;"<a href=https://www.ebi.ac.uk/chembl/assay_report_card/CHEMBL4017311/  target=_blank>CHEMBL4017311</a>";;;;;;;;;-5.54;;;;;;;;;;;;"Ahmed S, Ayscough A, Barker GR, Canning HE, Davenport R, Downham R, Harrison D, Jenkins K, Kinsella N, Livermore DG, Wright S, Ivetac AD, Skene R, Wilkens SJ, Webster NA, Hendrick AG.: 1,2,4-Triazolo-[1,5-a]pyridine HIF Prolylhydroxylase Domain-1 (PHD-1) Inhibitors With a Novel Monodentate Binding Interaction. J Med Chem, Volume 60 (13), 2017";ChEMBL
MM472147;MM472147;Cc1nc(-c2cccc3ccccc23)sc1C(=O)N1CCC(CO)CC1;;366.49;4.12;137646921;;;CHEMBL4081863;GENER;EPAM;25;0;"ph = 5.5, <a href=https://www.ebi.ac.uk/chembl/assay_report_card/CHEMBL4013341/  target=_blank>CHEMBL4013341</a>";;;;;;;;;-4.22;;;;;;;;;;;;"Carpenter J, Wang Y, Wu G, Feng J, Ye XY, Morales CL, Broekema M, Rossi KA, Miller KJ, Murphy BJ, Wu G, Malmstrom SE, Azzara AV, Sher PM, Fevig JM, Alt A, Bertekap RL, Cullen MJ, Harper TM, Foster K, Luk E, Xiang Q, Grubb MF, Robl JA, Wacker DA.: Utilization of an Active Site Mutant Receptor for the Identification of Potent and Selective Atypical 5-HT<sub>2C</sub> Receptor Agonists. J Med Chem, Volume 60 (14), 2017";ChEMBL
MM472147;MM472147;Cc1nc(-c2cccc3ccccc23)sc1C(=O)N1CCC(CO)CC1;;366.49;4.12;137646921;;;CHEMBL4081863;GENER;EPAM;25;0;"ph = 7.4, <a href=https://www.ebi.ac.uk/chembl/assay_report_card/CHEMBL4013342/  target=_blank>CHEMBL4013342</a>";;;;;;;;;-4.13;;;;;;;;;;;;"Carpenter J, Wang Y, Wu G, Feng J, Ye XY, Morales CL, Broekema M, Rossi KA, Miller KJ, Murphy BJ, Wu G, Malmstrom SE, Azzara AV, Sher PM, Fevig JM, Alt A, Bertekap RL, Cullen MJ, Harper TM, Foster K, Luk E, Xiang Q, Grubb MF, Robl JA, Wacker DA.: Utilization of an Active Site Mutant Receptor for the Identification of Potent and Selective Atypical 5-HT<sub>2C</sub> Receptor Agonists. J Med Chem, Volume 60 (14), 2017";ChEMBL
MM472007;MM472007;NS(=O)(=O)c1ccc(Cc2c(-c3cccc(-c4ccccc4)c3)nn(-c3nc(C(=O)O)cs3)c2CC2CC2)cc1;ALJORCZKMBZYCR-UHFFFAOYSA-N;570.7;5.55;131955127;;;CHEMBL4081890;GENER;EPAM;25;0;"ph = 7.4, <a href=https://www.ebi.ac.uk/chembl/assay_report_card/CHEMBL4032350/  target=_blank>CHEMBL4032350</a>";;;;;;;;;-5.1;;;;;;;;;;;;"Rai G, Brimacombe KR, Mott BT, Urban DJ, Hu X, Yang SM, Lee TD, Cheff DM, Kouznetsova J, Benavides GA, Pohida K, Kuenstner EJ, Luci DK, Lukacs CM, Davies DR, Dranow DM, Zhu H, Sulikowski G, Moore WJ, Stott GM, Flint AJ, Hall MD, Darley-Usmar VM, Neckers LM, Dang CV, Waterson AG, Simeonov A, Jadhav A, Maloney DJ.: Discovery and Optimization of Potent, Cell-Active Pyrazole-Based Inhibitors of Lactate Dehydrogenase (LDH). J Med Chem, Volume 60 (22), 2017";ChEMBL
MM472479;MM472479;c1ccc(CN(CCCCN(CC2Cc3ccccc3CN2)C2CCCc3cccnc32)Cc2ccccc2)cc1;PCNVYDZQYJVYOG-XDSPJLLDSA-N;544.79;6.96;137647184;;;CHEMBL4082134;GENER;EPAM;25;0;"ph = 5.5, <a href=https://www.ebi.ac.uk/chembl/assay_report_card/CHEMBL4059169/  target=_blank>CHEMBL4059169</a>";;;;;;;;;-5.41;;;;;;;;;;;;"Miller EJ, Jecs E, Truax VM, Katzman BM, Tahirovic YA, Wilson RJ, Kuo KM, Kim MB, Nguyen HH, Saindane MT, Zhao H, Wang T, Sum CS, Cvijic ME, Schroeder GM, Wilson LJ, Liotta DC.: Discovery of Tetrahydroisoquinoline-Containing CXCR4 Antagonists with Improved in Vitro ADMET Properties. J Med Chem, Volume 61 (3), 2018";ChEMBL
MM473373;MM473373;Nc1noc2c(N3CCC(NC(=O)c4ccc(-n5cnnc5)cc4Cl)C3)ncc(Cl)c12;ICXQHMRMBVPXKN-SNVBAGLBSA-N;459.3;2.7;137647928;;;CHEMBL4082857;GENER;EPAM;25;0;"<a href=https://www.ebi.ac.uk/chembl/assay_report_card/CHEMBL4018087/  target=_blank>CHEMBL4018087</a>";;;;;;;;;-6.15;;;;;;;;;;;;"Sakurada I, Endo T, Hikita K, Hirabayashi T, Hosaka Y, Kato Y, Maeda Y, Matsumoto S, Mizuno T, Nagasue H, Nishimura T, Shimada S, Shinozaki M, Taguchi K, Takeuchi K, Yokoyama T, Hruza A, Reichert P, Zhang T, Wood HB, Nakao K, Furusako S.: Discovery of novel aminobenzisoxazole derivatives as orally available factor IXa inhibitors. Bioorg Med Chem Lett, Volume 27 (11), 2017";ChEMBL
MM474269;MM474269;Cc1cc(OCCCc2c3n(c4c(-c5c(C)nn(C)c5C)c(Cl)ccc24)CCCN(c2cccc4c(C(=O)O)cccc24)C3=O)cc(C)c1Cl;HHCOJLNHWQAODR-UHFFFAOYSA-N;709.67;9.5;118406932;;;CHEMBL4082941;GENER;EPAM;25;0;"<a href=https://www.ebi.ac.uk/chembl/assay_report_card/CHEMBL4023197/  target=_blank>CHEMBL4023197</a>";;;;;;;;;-5.36;;;;;;;;;;;;"Shaw S, Bian Z, Zhao B, Tarr JC, Veerasamy N, Jeon KO, Belmar J, Arnold AL, Fogarty SA, Perry E, Sensintaffar JL, Camper DV, Rossanese OW, Lee T, Olejniczak ET, Fesik SW.: Optimization of Potent and Selective Tricyclic Indole Diazepinone Myeloid Cell Leukemia-1 Inhibitors Using Structure-Based Design. J Med Chem, Volume 61 (6), 2018";ChEMBL
MM471693;MM471693;O=S1(=Nc2cc(C(F)(F)F)cc(C(F)(F)F)c2)CCCCC1;OXMFSTCFDKSEMA-UHFFFAOYSA-N;345.31;5.01;;;;;GENER;EPAM;25;0;"ph = 7.4, <a href=https://www.ebi.ac.uk/chembl/assay_report_card/CHEMBL3992821/  target=_blank>CHEMBL3992821</a>";;;;;;;;;-5.48;;;;;;;;;;;;"Frings M, Bolm C, Blum A, Gnamm C.: Sulfoximines from a Medicinal Chemist's Perspective: Physicochemical and in vitro Parameters Relevant for Drug Discovery. Eur J Med Chem, Volume 126, 2017";ChEMBL
MM471432;MM471432;O=[N+]([O-])c1cccc(-c2ccc(O[C@H]3O[C@H](CO)[C@@H](O)[C@H](O)[C@@H]3O)c(Cl)c2)c1;QHNWRCBDBAXYGR-ZBRFXRBCSA-N;411.79;1.09;;;;;GENER;EPAM;25;+1,-1;"ph = 7.4, <a href=https://www.ebi.ac.uk/chembl/assay_report_card/CHEMBL4015741/  target=_blank>CHEMBL4015741</a>";;;;;;;;;-4.9;;;;;;;;;;;;"Mayer K, Eris D, Schwardt O, Sager CP, Rabbani S, Kleeb S, Ernst B.: Urinary Tract Infection: Which Conformation of the Bacterial Lectin FimH Is Therapeutically Relevant? J Med Chem, Volume 60 (13), 2017";ChEMBL
MM472517;MM472517;CN(Cc1ccc(C(F)(F)F)nc1)c1cc(C(=O)Nc2nncs2)ncn1;HUHMVOCYAWWFKL-UHFFFAOYSA-N;395.37;2.63;137645590;;;CHEMBL4083549;GENER;EPAM;25;0;"at ph 4 to 8, <a href=https://www.ebi.ac.uk/chembl/assay_report_card/CHEMBL4032615/  target=_blank>CHEMBL4032615</a>";;;;;;;;;-3.9;;;;;;;;;;;;"Wilson CR, Gessner RK, Moosa A, Seldon R, Warner DF, Mizrahi V, Soares de Melo C, Simelane SB, Nchinda A, Abay E, Taylor D, Njoroge M, Brunschwig C, Lawrence N, Boshoff HIM, Barry CE, Sirgel FA, van Helden P, Harris CJ, Gordon R, Ghidelli-Disse S, Pflaumer H, Boesche M, Drewes G, Sanz O, Santos G, Rebollo-Lopez MJ, Urones B, Selenski C, Lafuente-Monasterio MJ, Axtman M, Lelièvre J, Ballell L, Mueller R, Street LJ, Ghorpade SR, Chibale K.: Novel Antitubercular 6-Dialkylaminopyrimidine Carboxamides from Phenotypic Whole-Cell High Throughput Screening of a SoftFocus Library: Structure-Activity Relationship and Target Identification Studies. J Med Chem, Volume 60 (24), 2017";ChEMBL
MM472475;MM472475;Cc1cc2cc(C)c1CCOC(=O)Nc1ccc(S(=O)(=O)C3CC3)c(c1)CN(C)C(=O)C2Nc1ccc2cc[nH]c(=O)c2c1;YJTFTQFUZXRAGN-SSEXGKCCSA-N;614.72;5;59315536;;;CHEMBL4083729;GENER;EPAM;25;0;"ph = 5.5, <a href=https://www.ebi.ac.uk/chembl/assay_report_card/CHEMBL4021600/  target=_blank>CHEMBL4021600</a>";;;;;;;;;-5;;;;;;;;;;;;"Wurtz NR, Parkhurst BL, DeLucca I, Glunz PW, Jiang W, Zhang X, Cheney DL, Bozarth JM, Rendina AR, Wei A, Harper T, Luettgen JM, Wu Y, Wong PC, Seiffert DA, Wexler RR, Priestley ES.: Neutral macrocyclic factor VIIa inhibitors. Bioorg Med Chem Lett, Volume 27 (12), 2017";ChEMBL
MM472176;MM472176;O=S(=O)(Nc1nccs1)c1cc(Cl)c(NCC2OCCO2)cc1F;;393.85;2.52;;;;CHEMBL4083744;GENER;EPAM;25;0;"ph = 5.5, <a href=https://www.ebi.ac.uk/chembl/assay_report_card/CHEMBL4046489/  target=_blank>CHEMBL4046489</a>";;;;;;;;;-4.57;;;;;;;;;;;;"Wu YJ, Guernon J, McClure A, Luo G, Rajamani R, Ng A, Easton A, Newton A, Bourin C, Parker D, Mosure K, Barnaby O, Soars MG, Knox RJ, Matchett M, Pieschl R, Herrington J, Chen P, Sivarao DV, Bristow LJ, Meanwell NA, Bronson J, Olson R, Thompson LA, Dzierba C.: Discovery of non-zwitterionic aryl sulfonamides as Na<sub>v</sub>1.7 inhibitors with efficacy in preclinical behavioral models and translational measures of nociceptive neuron activation. Bioorg Med Chem, Volume 25 (20), 2017";ChEMBL
MM472342;MM472342;CCNCCNc1cc(-c2ccc(C(F)(F)F)cc2)c(C#N)c2nc3ccccc3n12;;423.44;5.07;53361220;;;CHEMBL1800559;GENER;EPAM;25;0;"ph = 4, <a href=https://www.ebi.ac.uk/chembl/assay_report_card/CHEMBL3996778/  target=_blank>CHEMBL3996778</a>";;;;;;;;;-6.9;;;;;;;;;;;;"Singh K, Okombo J, Brunschwig C, Ndubi F, Barnard L, Wilkinson C, Njogu PM, Njoroge M, Laing L, Machado M, Prudêncio M, Reader J, Botha M, Nondaba S, Birkholtz LM, Lauterbach S, Churchyard A, Coetzer TL, Burrows JN, Yeates C, Denti P, Wiesner L, Egan TJ, Wittlin S, Chibale K.: Antimalarial Pyrido[1,2-a]benzimidazoles: Lead Optimization, Parasite Life Cycle Stage Profile, Mechanistic Evaluation, Killing Kinetics, and in Vivo Oral Efficacy in a Mouse Model. J Med Chem, Volume 60 (4), 2017";ChEMBL
MM472176;MM472176;O=S(=O)(Nc1nccs1)c1cc(Cl)c(NCC2OCCO2)cc1F;;393.85;2.52;;;;CHEMBL4083744;GENER;EPAM;25;0;"ph = 7.4, <a href=https://www.ebi.ac.uk/chembl/assay_report_card/CHEMBL4046490/  target=_blank>CHEMBL4046490</a>";;;;;;;;;-4.65;;;;;;;;;;;;"Wu YJ, Guernon J, McClure A, Luo G, Rajamani R, Ng A, Easton A, Newton A, Bourin C, Parker D, Mosure K, Barnaby O, Soars MG, Knox RJ, Matchett M, Pieschl R, Herrington J, Chen P, Sivarao DV, Bristow LJ, Meanwell NA, Bronson J, Olson R, Thompson LA, Dzierba C.: Discovery of non-zwitterionic aryl sulfonamides as Na<sub>v</sub>1.7 inhibitors with efficacy in preclinical behavioral models and translational measures of nociceptive neuron activation. Bioorg Med Chem, Volume 25 (20), 2017";ChEMBL
MM472342;MM472342;CCNCCNc1cc(-c2ccc(C(F)(F)F)cc2)c(C#N)c2nc3ccccc3n12;;423.44;5.07;53361220;;;CHEMBL1800559;GENER;EPAM;25;0;"ph = 6.5, <a href=https://www.ebi.ac.uk/chembl/assay_report_card/CHEMBL3996779/  target=_blank>CHEMBL3996779</a>";;;;;;;;;-4.3;;;;;;;;;;;;"Singh K, Okombo J, Brunschwig C, Ndubi F, Barnard L, Wilkinson C, Njogu PM, Njoroge M, Laing L, Machado M, Prudêncio M, Reader J, Botha M, Nondaba S, Birkholtz LM, Lauterbach S, Churchyard A, Coetzer TL, Burrows JN, Yeates C, Denti P, Wiesner L, Egan TJ, Wittlin S, Chibale K.: Antimalarial Pyrido[1,2-a]benzimidazoles: Lead Optimization, Parasite Life Cycle Stage Profile, Mechanistic Evaluation, Killing Kinetics, and in Vivo Oral Efficacy in a Mouse Model. J Med Chem, Volume 60 (4), 2017";ChEMBL
MM474584;MM474584;N#Cc1ccc(-c2cccc3ncnn23)cc1;DEYMFBHALUHGST-UHFFFAOYSA-N;220.24;2.27;;;;;GENER;EPAM;25;0;"<a href=https://www.ebi.ac.uk/chembl/assay_report_card/CHEMBL4017311/  target=_blank>CHEMBL4017311</a>";;;;;;;;;-4.61;;;;;;;;;;;;"Ahmed S, Ayscough A, Barker GR, Canning HE, Davenport R, Downham R, Harrison D, Jenkins K, Kinsella N, Livermore DG, Wright S, Ivetac AD, Skene R, Wilkens SJ, Webster NA, Hendrick AG.: 1,2,4-Triazolo-[1,5-a]pyridine HIF Prolylhydroxylase Domain-1 (PHD-1) Inhibitors With a Novel Monodentate Binding Interaction. J Med Chem, Volume 60 (13), 2017";ChEMBL
MM472352;MM472352;CCNCCNc1cc(-c2ccc(C(F)(F)F)cc2)c(C#N)c2nc3ncccc3n12;GQFYKPNOBBNCNZ-UHFFFAOYSA-N;424.43;4.46;137648442;;;CHEMBL4084045;GENER;EPAM;25;0;"ph = 6.5, <a href=https://www.ebi.ac.uk/chembl/assay_report_card/CHEMBL3996779/  target=_blank>CHEMBL3996779</a>";;;;;;;;;-4.2;;;;;;;;;;;;"Singh K, Okombo J, Brunschwig C, Ndubi F, Barnard L, Wilkinson C, Njogu PM, Njoroge M, Laing L, Machado M, Prudêncio M, Reader J, Botha M, Nondaba S, Birkholtz LM, Lauterbach S, Churchyard A, Coetzer TL, Burrows JN, Yeates C, Denti P, Wiesner L, Egan TJ, Wittlin S, Chibale K.: Antimalarial Pyrido[1,2-a]benzimidazoles: Lead Optimization, Parasite Life Cycle Stage Profile, Mechanistic Evaluation, Killing Kinetics, and in Vivo Oral Efficacy in a Mouse Model. J Med Chem, Volume 60 (4), 2017";ChEMBL
MM472120;MM472120;C=CC1CC1(NC(=O)C1CC(O)(c2ccc(-c3ccccc3)cc2)CN1C(=O)C(NC(=O)OC(C)(C)C)C(C)(C)C)C(=O)NS(=O)(=O)C1CC1;;708.88;3.75;11954395;;;CHEMBL4084287;GENER;EPAM;25;0;"ph = 5.5, <a href=https://www.ebi.ac.uk/chembl/assay_report_card/CHEMBL4001455/  target=_blank>CHEMBL4001455</a>";;;;;;;;;-5.1;;;;;;;;;;;;"Wang AX, Chen J, Zhao Q, Sun LQ, Friborg J, Yu F, Hernandez D, Good AC, Klei HE, Rajamani R, Mosure K, Knipe JO, Li D, Zhu J, Levesque PC, McPhee F, Meanwell NA, Scola PM.: Structure-activity relationships of 4-hydroxy-4-biaryl-proline acylsulfonamide tripeptides: A series of potent NS3 protease inhibitors for the treatment of hepatitis C virus. Bioorg Med Chem Lett, Volume 27 (3), 2017";ChEMBL
MM472120;MM472120;C=CC1CC1(NC(=O)C1CC(O)(c2ccc(-c3ccccc3)cc2)CN1C(=O)C(NC(=O)OC(C)(C)C)C(C)(C)C)C(=O)NS(=O)(=O)C1CC1;;708.88;3.75;11954395;;;CHEMBL4084287;GENER;EPAM;25;0;"ph = 7.4, <a href=https://www.ebi.ac.uk/chembl/assay_report_card/CHEMBL4001456/  target=_blank>CHEMBL4001456</a>";;;;;;;;;-4.68;;;;;;;;;;;;"Wang AX, Chen J, Zhao Q, Sun LQ, Friborg J, Yu F, Hernandez D, Good AC, Klei HE, Rajamani R, Mosure K, Knipe JO, Li D, Zhu J, Levesque PC, McPhee F, Meanwell NA, Scola PM.: Structure-activity relationships of 4-hydroxy-4-biaryl-proline acylsulfonamide tripeptides: A series of potent NS3 protease inhibitors for the treatment of hepatitis C virus. Bioorg Med Chem Lett, Volume 27 (3), 2017";ChEMBL
MM474256;MM474256;CSc1nc(N(C(=O)OC(C)CN2CCN(C)CC2)c2cccc(Br)c2)c2cnn(CC(C)c3ccccc3)c2n1;;638.64;6.03;121305843;;;CHEMBL4084427;GENER;EPAM;25;0;"<a href=https://www.ebi.ac.uk/chembl/assay_report_card/CHEMBL4013498/  target=_blank>CHEMBL4013498</a>";;;;;;;;;-5.67;;;;;;;;;;;;"Vignaroli G, Iovenitti G, Zamperini C, Coniglio F, Calandro P, Molinari A, Fallacara AL, Sartucci A, Calgani A, Colecchia D, Mancini A, Festuccia C, Dreassi E, Valoti M, Musumeci F, Chiariello M, Angelucci A, Botta M, Schenone S.: Prodrugs of Pyrazolo[3,4-d]pyrimidines: From Library Synthesis to Evaluation as Potential Anticancer Agents in an Orthotopic Glioblastoma Model. J Med Chem, Volume 60 (14), 2017";ChEMBL
MM472347;MM472347;CCNCCNc1cc(-c2cccc(F)c2)c(C#N)c2nc3ccccc3n12;;373.44;4.19;137647751;;;CHEMBL4084534;GENER;EPAM;25;0;"ph = 6.5, <a href=https://www.ebi.ac.uk/chembl/assay_report_card/CHEMBL3996779/  target=_blank>CHEMBL3996779</a>";;;;;;;;;-5;;;;;;;;;;;;"Singh K, Okombo J, Brunschwig C, Ndubi F, Barnard L, Wilkinson C, Njogu PM, Njoroge M, Laing L, Machado M, Prudêncio M, Reader J, Botha M, Nondaba S, Birkholtz LM, Lauterbach S, Churchyard A, Coetzer TL, Burrows JN, Yeates C, Denti P, Wiesner L, Egan TJ, Wittlin S, Chibale K.: Antimalarial Pyrido[1,2-a]benzimidazoles: Lead Optimization, Parasite Life Cycle Stage Profile, Mechanistic Evaluation, Killing Kinetics, and in Vivo Oral Efficacy in a Mouse Model. J Med Chem, Volume 60 (4), 2017";ChEMBL
MM474593;MM474593;Cc1cc(C)cc(NC(=O)Cn2ccc(=O)c3ccc(Cl)cc32)c1;QTFOFDPOIUPESS-UHFFFAOYSA-N;340.81;3.91;;;;;GENER;EPAM;25;0;"<a href=https://www.ebi.ac.uk/chembl/assay_report_card/CHEMBL4042140/  target=_blank>CHEMBL4042140</a>";;;;;;;;;-4.59;;;;;;;;;;;;"Pitta E, Balabon O, Rogacki MK, Gómez J, Cunningham F, Joosens J, Augustyns K, van der Veken P, Bates R.: Differential characterization using readily accessible NMR experiments of novel N- and O-alkylated quinolin-4-ol, 1,5-naphthyridin-4-ol and quinazolin-4-ol derivatives with antimycobacterial activity. Eur J Med Chem, Volume 125, 2017";ChEMBL
MM472346;MM472346;N#Cc1c(-c2ccc(C(F)(F)F)cc2)cc(N2CCC(N)CC2)n2c1nc1ccccc12;GPCFMFRXWLMYQD-UHFFFAOYSA-N;435.45;4.97;137645187;;;CHEMBL4084546;GENER;EPAM;25;0;"ph = 6.5, <a href=https://www.ebi.ac.uk/chembl/assay_report_card/CHEMBL3996779/  target=_blank>CHEMBL3996779</a>";;;;;;;;;-5.7;;;;;;;;;;;;"Singh K, Okombo J, Brunschwig C, Ndubi F, Barnard L, Wilkinson C, Njogu PM, Njoroge M, Laing L, Machado M, Prudêncio M, Reader J, Botha M, Nondaba S, Birkholtz LM, Lauterbach S, Churchyard A, Coetzer TL, Burrows JN, Yeates C, Denti P, Wiesner L, Egan TJ, Wittlin S, Chibale K.: Antimalarial Pyrido[1,2-a]benzimidazoles: Lead Optimization, Parasite Life Cycle Stage Profile, Mechanistic Evaluation, Killing Kinetics, and in Vivo Oral Efficacy in a Mouse Model. J Med Chem, Volume 60 (4), 2017";ChEMBL
MM472133;MM472133;CN(C)CCS(=O)(=O)NC(=O)c1ccc(Nc2nc(NC3(c4ccc(Cl)cc4)CC3)nc(OCC(F)(F)F)n2)cc1;XAJIRGSNSNONDO-UHFFFAOYSA-N;614.05;3.93;56838677;;;CHEMBL4084618;GENER;EPAM;25;0;"ph = 7.4, <a href=https://www.ebi.ac.uk/chembl/assay_report_card/CHEMBL4004073/  target=_blank>CHEMBL4004073</a>";;;;;;;;;-5.35;;;;;;;;;;;;"Mull ES, Sun LQ, Zhao Q, Eggers B, Pokornowski K, Zhai G, Rajamani R, Jenkins S, Kramer M, Wang YK, Fang H, Tenney D, Baldick CJ, Cockett MI, Meanwell NA, Scola PM.: Functionalized triazines as potent HCV entry inhibitors. Bioorg Med Chem Lett, Volume 27 (4), 2017";ChEMBL
MM472196;MM472196;c1ccc2c(c1)CNC(CN(CCCCNCC1CCCCC1)C1CCCc3cccnc31)C2;;460.71;5.43;137646125;;;CHEMBL4084652;GENER;EPAM;25;0;"ph = 5.5, <a href=https://www.ebi.ac.uk/chembl/assay_report_card/CHEMBL4059169/  target=_blank>CHEMBL4059169</a>";;;;;;;;;-5.68;;;;;;;;;;;;"Miller EJ, Jecs E, Truax VM, Katzman BM, Tahirovic YA, Wilson RJ, Kuo KM, Kim MB, Nguyen HH, Saindane MT, Zhao H, Wang T, Sum CS, Cvijic ME, Schroeder GM, Wilson LJ, Liotta DC.: Discovery of Tetrahydroisoquinoline-Containing CXCR4 Antagonists with Improved in Vitro ADMET Properties. J Med Chem, Volume 61 (3), 2018";ChEMBL
MM472196;MM472196;c1ccc2c(c1)CNC(CN(CCCCNCC1CCCCC1)C1CCCc3cccnc31)C2;;460.71;5.43;137646125;;;CHEMBL4084652;GENER;EPAM;25;0;"ph = 7.4, <a href=https://www.ebi.ac.uk/chembl/assay_report_card/CHEMBL4059168/  target=_blank>CHEMBL4059168</a>";;;;;;;;;-6.05;;;;;;;;;;;;"Miller EJ, Jecs E, Truax VM, Katzman BM, Tahirovic YA, Wilson RJ, Kuo KM, Kim MB, Nguyen HH, Saindane MT, Zhao H, Wang T, Sum CS, Cvijic ME, Schroeder GM, Wilson LJ, Liotta DC.: Discovery of Tetrahydroisoquinoline-Containing CXCR4 Antagonists with Improved in Vitro ADMET Properties. J Med Chem, Volume 61 (3), 2018";ChEMBL
MM472158;MM472158;O=C1Nc2cc(=O)n(Cc3ccccc3)cc2CN1c1cccc(OCc2cncs2)c1;GAWVULNDIBAUHU-UHFFFAOYSA-N;444.52;4.48;132585219;;;CHEMBL4084949;GENER;EPAM;25;0;"ph = 7.4, <a href=https://www.ebi.ac.uk/chembl/assay_report_card/CHEMBL4017295/  target=_blank>CHEMBL4017295</a>";;;;;;;;;-4.88;;;;;;;;;;;;"Iwatani-Yoshihara M, Ito M, Klein MG, Yamamoto T, Yonemori K, Tanaka T, Miwa M, Morishita D, Endo S, Tjhen R, Qin L, Nakanishi A, Maezaki H, Kawamoto T.: Discovery of Allosteric Inhibitors Targeting the Spliceosomal RNA Helicase Brr2. J Med Chem, Volume 60 (13), 2017";ChEMBL
MM473376;MM473376;Nc1noc2c(N3CCC(NC(=O)c4ccc(-n5cnnc5C(F)F)cc4Cl)C3)ncc(Cl)c12;NIYMWAUKEZOKLD-SECBINFHSA-N;509.3;3.64;118456915;;;CHEMBL4085239;GENER;EPAM;25;0;"<a href=https://www.ebi.ac.uk/chembl/assay_report_card/CHEMBL4018087/  target=_blank>CHEMBL4018087</a>";;;;;;;;;-5.57;;;;;;;;;;;;"Sakurada I, Endo T, Hikita K, Hirabayashi T, Hosaka Y, Kato Y, Maeda Y, Matsumoto S, Mizuno T, Nagasue H, Nishimura T, Shimada S, Shinozaki M, Taguchi K, Takeuchi K, Yokoyama T, Hruza A, Reichert P, Zhang T, Wood HB, Nakao K, Furusako S.: Discovery of novel aminobenzisoxazole derivatives as orally available factor IXa inhibitors. Bioorg Med Chem Lett, Volume 27 (11), 2017";ChEMBL
MM473368;MM473368;Cc1cccc(F)c1CN1CC(c2cn(C)c3ccccc23)C(N(C)C)C1;MJNFUMWCOKCILM-OFNKIYASSA-N;365.5;4.16;126962003;;;CHEMBL4085428;GENER;EPAM;25;0;"<a href=https://www.ebi.ac.uk/chembl/assay_report_card/CHEMBL4007113/  target=_blank>CHEMBL4007113</a>";;;;;;;;;-6;;;;;;;;;;;;"Curtin ML, Pliushchev MA, Li HQ, Torrent M, Dietrich JD, Jakob CG, Zhu H, Zhao H, Wang Y, Ji Z, Clark RF, Sarris KA, Selvaraju S, Shaw B, Algire MA, He Y, Richardson PL, Sweis RF, Sun C, Chiang GG, Michaelides MR.: SAR of amino pyrrolidines as potent and novel protein-protein interaction inhibitors of the PRC2 complex through EED binding. Bioorg Med Chem Lett, Volume 27 (7), 2017";ChEMBL
MM472148;MM472148;Cc1[nH]c(-c2cccc3ccccc23)cc1C(=O)N1CCC(CO)CC1;;348.45;3.99;137645674;;;CHEMBL4085497;GENER;EPAM;25;0;"ph = 5.5, <a href=https://www.ebi.ac.uk/chembl/assay_report_card/CHEMBL4013341/  target=_blank>CHEMBL4013341</a>";;;;;;;;;-4.2;;;;;;;;;;;;"Carpenter J, Wang Y, Wu G, Feng J, Ye XY, Morales CL, Broekema M, Rossi KA, Miller KJ, Murphy BJ, Wu G, Malmstrom SE, Azzara AV, Sher PM, Fevig JM, Alt A, Bertekap RL, Cullen MJ, Harper TM, Foster K, Luk E, Xiang Q, Grubb MF, Robl JA, Wacker DA.: Utilization of an Active Site Mutant Receptor for the Identification of Potent and Selective Atypical 5-HT<sub>2C</sub> Receptor Agonists. J Med Chem, Volume 60 (14), 2017";ChEMBL
MM472148;MM472148;Cc1[nH]c(-c2cccc3ccccc23)cc1C(=O)N1CCC(CO)CC1;;348.45;3.99;137645674;;;CHEMBL4085497;GENER;EPAM;25;0;"ph = 7.4, <a href=https://www.ebi.ac.uk/chembl/assay_report_card/CHEMBL4013342/  target=_blank>CHEMBL4013342</a>";;;;;;;;;-4.31;;;;;;;;;;;;"Carpenter J, Wang Y, Wu G, Feng J, Ye XY, Morales CL, Broekema M, Rossi KA, Miller KJ, Murphy BJ, Wu G, Malmstrom SE, Azzara AV, Sher PM, Fevig JM, Alt A, Bertekap RL, Cullen MJ, Harper TM, Foster K, Luk E, Xiang Q, Grubb MF, Robl JA, Wacker DA.: Utilization of an Active Site Mutant Receptor for the Identification of Potent and Selective Atypical 5-HT<sub>2C</sub> Receptor Agonists. J Med Chem, Volume 60 (14), 2017";ChEMBL
MM472362;MM472362;CN(Cc1ccc(CNc2ccnc3cc(C#N)ccc23)cc1)Cc1ccccn1;;393.49;4.75;137643824;;;CHEMBL4085853;GENER;EPAM;25;0;"ph = 4, <a href=https://www.ebi.ac.uk/chembl/assay_report_card/CHEMBL4027134/  target=_blank>CHEMBL4027134</a>";;;;;;;;;-4.51;;;;;;;;;;;;"Joshi MC, Okombo J, Nsumiwa S, Ndove J, Taylor D, Wiesner L, Hunter R, Chibale K, Egan TJ.: 4-Aminoquinoline Antimalarials Containing a Benzylmethylpyridylmethylamine Group Are Active against Drug Resistant Plasmodium falciparum and Exhibit Oral Activity in Mice. J Med Chem, Volume 60 (24), 2017";ChEMBL
MM472362;MM472362;CN(Cc1ccc(CNc2ccnc3cc(C#N)ccc23)cc1)Cc1ccccn1;;393.49;4.75;137643824;;;CHEMBL4085853;GENER;EPAM;25;0;"ph = 6.5, <a href=https://www.ebi.ac.uk/chembl/assay_report_card/CHEMBL4027135/  target=_blank>CHEMBL4027135</a>";;;;;;;;;-4.6;;;;;;;;;;;;"Joshi MC, Okombo J, Nsumiwa S, Ndove J, Taylor D, Wiesner L, Hunter R, Chibale K, Egan TJ.: 4-Aminoquinoline Antimalarials Containing a Benzylmethylpyridylmethylamine Group Are Active against Drug Resistant Plasmodium falciparum and Exhibit Oral Activity in Mice. J Med Chem, Volume 60 (24), 2017";ChEMBL
MM473390;MM473390;COc1ccc2c(c1)OC(c1cccc(C(=O)O)c1)CC2NC(=O)C1(c2ccc3c(c2)OC(F)(F)O3)CC1;LSBRKYXIZOVMPC-IFMALSPDSA-N;523.49;5.13;121301099;;;CHEMBL4085871;GENER;EPAM;25;0;"<a href=https://www.ebi.ac.uk/chembl/assay_report_card/CHEMBL4022900/  target=_blank>CHEMBL4022900</a>";;;;;;;;;-4.84;;;;;;;;;;;;"Wang X, Liu B, Searle X, Yeung C, Bogdan A, Greszler S, Singh A, Fan Y, Swensen AM, Vortherms T, Balut C, Jia Y, Desino K, Gao W, Yong H, Tse C, Kym P.: Discovery of 4-[(2R,4R)-4-({[1-(2,2-Difluoro-1,3-benzodioxol-5-yl)cyclopropyl]carbonyl}amino)-7-(difluoromethoxy)-3,4-dihydro-2H-chromen-2-yl]benzoic Acid (ABBV/GLPG-2222), a Potent Cystic Fibrosis Transmembrane Conductance Regulator (CFTR) Corrector for the Treatment of Cystic Fibrosis. J Med Chem, Volume 61 (4), 2018";ChEMBL
MM474623;MM474623;NCC=CCN(CC1Cc2ccccc2CN1)C1CCCc2cccnc21;;362.52;2.99;137641749;;;CHEMBL4086147;GENER;EPAM;25;0;"<a href=https://www.ebi.ac.uk/chembl/assay_report_card/CHEMBL4144849/  target=_blank>CHEMBL4144849</a>";;;;;;;;;-4.08;;;;;;;;;;;;"Jecs E, Miller EJ, Wilson RJ, Nguyen HH, Tahirovic YA, Katzman BM, Truax VM, Kim MB, Kuo KM, Wang T, Sum CS, Cvijic ME, Schroeder GM, Wilson LJ, Liotta DC.: Synthesis of Novel Tetrahydroisoquinoline CXCR4 Antagonists with Rigidified Side-Chains. ACS Med Chem Lett, Volume 9 (2), 2018";ChEMBL
MM474623;MM474623;NCC=CCN(CC1Cc2ccccc2CN1)C1CCCc2cccnc21;;362.52;2.99;137641749;;;CHEMBL4086147;GENER;EPAM;25;0;"<a href=https://www.ebi.ac.uk/chembl/assay_report_card/CHEMBL4144850/  target=_blank>CHEMBL4144850</a>";;;;;;;;;-4.59;;;;;;;;;;;;"Jecs E, Miller EJ, Wilson RJ, Nguyen HH, Tahirovic YA, Katzman BM, Truax VM, Kim MB, Kuo KM, Wang T, Sum CS, Cvijic ME, Schroeder GM, Wilson LJ, Liotta DC.: Synthesis of Novel Tetrahydroisoquinoline CXCR4 Antagonists with Rigidified Side-Chains. ACS Med Chem Lett, Volume 9 (2), 2018";ChEMBL
MM472781;MM472781;CCCc1nnc(C=Cc2ccc(C3(C)c4ccc(O)cc4CCN3c3ccc(F)cc3)cc2)o1;DEVIXBKKIXIWRM-FRKPEAEDSA-N;469.56;6.36;118166693;;;CHEMBL4086181;GENER;EPAM;25;0;"<a href=https://www.ebi.ac.uk/chembl/assay_report_card/CHEMBL4011153/  target=_blank>CHEMBL4011153</a>";;;;;;;;;-4.6;;;;;;;;;;;;"Burks HE, Abrams T, Kirby CA, Baird J, Fekete A, Hamann LG, Kim S, Lombardo F, Loo A, Lubicka D, Macchi K, McDonnell DP, Mishina Y, Norris JD, Nunez J, Saran C, Sun Y, Thomsen NM, Wang C, Wang J, Peukert S.: Discovery of an Acrylic Acid Based Tetrahydroisoquinoline as an Orally Bioavailable Selective Estrogen Receptor Degrader for ERα+ Breast Cancer. J Med Chem, Volume 60 (7), 2017";ChEMBL
MM474280;MM474280;Cc1cc2c(cc1N1C(=O)c3cccc4c(CCCO)ccc(c34)C1=O)n(C)c(=O)n2C;OFWWWKWUCDUISA-UHFFFAOYSA-N;429.48;3.06;122705990;;;CHEMBL4086276;GENER;EPAM;25;0;"<a href=https://www.ebi.ac.uk/chembl/assay_report_card/CHEMBL4052887/  target=_blank>CHEMBL4052887</a>";;;;;;;;;-7.1;;;;;;;;;;;;"Teuscher KB, Zhang M, Ji H.: A Versatile Method to Determine the Cellular Bioavailability of Small-Molecule Inhibitors. J Med Chem, Volume 60 (1), 2017";ChEMBL
MM471715;MM471715;O=C1N=C(N2CCOCC2)SC1=Cc1ccc(-c2ccc(C(=O)O)c(O)c2)o1;GFVODCJPYDHGDZ-YBEGLDIGSA-N;400.41;2.65;129909745;;;CHEMBL4086297;GENER;EPAM;25;0;"ph = 7.4, <a href=https://www.ebi.ac.uk/chembl/assay_report_card/CHEMBL4018083/  target=_blank>CHEMBL4018083</a>";;;;;;;;;-5.89;;;;;;;;;;;;"Botta L, Maccari G, Calandro P, Tiberi M, Brai A, Zamperini C, Canducci F, Chiariello M, Martí-Centelles R, Falomir E, Carda M.: One drug for two targets: Biological evaluation of antiretroviral agents endowed with antiproliferative activity. Bioorg Med Chem Lett, Volume 27 (11), 2017";ChEMBL
MM474265;MM474265;Cc1cc(OCCCc2c3n(c4c(-c5c(C)nn(C)c5C)c(Cl)ccc24)CCCN(c2cc(C(=O)O)cc4c2ccn4C)C3=O)cc(C)c1Cl;BDINUPBROUJUMH-UHFFFAOYSA-N;712.68;8.83;;;;;GENER;EPAM;25;0;"<a href=https://www.ebi.ac.uk/chembl/assay_report_card/CHEMBL4023197/  target=_blank>CHEMBL4023197</a>";;;;;;;;;-4.89;;;;;;;;;;;;"Shaw S, Bian Z, Zhao B, Tarr JC, Veerasamy N, Jeon KO, Belmar J, Arnold AL, Fogarty SA, Perry E, Sensintaffar JL, Camper DV, Rossanese OW, Lee T, Olejniczak ET, Fesik SW.: Optimization of Potent and Selective Tricyclic Indole Diazepinone Myeloid Cell Leukemia-1 Inhibitors Using Structure-Based Design. J Med Chem, Volume 61 (6), 2018";ChEMBL
MM473599;MM473599;O=C(Nc1cccc(C(F)(F)F)c1)NC1CCN(Cc2ccccc2)CC1;MXZRHPHRSQJCML-UHFFFAOYSA-N;377.41;4.49;3848011;;;CHEMBL4086524;GENER;EPAM;25;0;"<a href=https://www.ebi.ac.uk/chembl/assay_report_card/CHEMBL4222546/  target=_blank>CHEMBL4222546</a>";;;;;;;;;-3.17;;;;;;;;;;;;"Hammill JT, Scott DC, Min J, Connelly MC, Holbrook G, Zhu F, Matheny A, Yang L, Singh B, Schulman BA, Guy RK.: Piperidinyl Ureas Chemically Control Defective in Cullin Neddylation 1 (DCN1)-Mediated Cullin Neddylation. J Med Chem, Volume 61 (7), 2018";ChEMBL
MM473362;MM473362;CCCc1ccc(NC(=O)COc2cc(C)nc3ccc(OC)cc23)cc1;LGSYHXLETJBVDD-UHFFFAOYSA-N;364.45;4.52;;;;;GENER;EPAM;25;0;"<a href=https://www.ebi.ac.uk/chembl/assay_report_card/CHEMBL4003192/  target=_blank>CHEMBL4003192</a>";;;;;;;;;-5.89;;;;;;;;;;;;"Giacobbo BC, Pissinate K, Rodrigues-Junior V, Villela AD, Grams ES, Abbadi BL, Subtil FT, Sperotto N, Trindade RV, Back DF, Campos MM, Basso LA, Machado P, Santos DS.: New insights into the SAR and drug combination synergy of 2-(quinolin-4-yloxy)acetamides against Mycobacterium tuberculosis. Eur J Med Chem, Volume 126, 2017";ChEMBL
MM472192;MM472192;c1ccc(CN(CCCCN(CC2Cc3ccccc3CN2)C2CCCc3cccnc32)Cc2ccccn2)nc1;;546.76;5.75;137644335;;;CHEMBL4086739;GENER;EPAM;25;0;"ph = 5.5, <a href=https://www.ebi.ac.uk/chembl/assay_report_card/CHEMBL4059169/  target=_blank>CHEMBL4059169</a>";;;;;;;;;-5.32;;;;;;;;;;;;"Miller EJ, Jecs E, Truax VM, Katzman BM, Tahirovic YA, Wilson RJ, Kuo KM, Kim MB, Nguyen HH, Saindane MT, Zhao H, Wang T, Sum CS, Cvijic ME, Schroeder GM, Wilson LJ, Liotta DC.: Discovery of Tetrahydroisoquinoline-Containing CXCR4 Antagonists with Improved in Vitro ADMET Properties. J Med Chem, Volume 61 (3), 2018";ChEMBL
MM472192;MM472192;c1ccc(CN(CCCCN(CC2Cc3ccccc3CN2)C2CCCc3cccnc32)Cc2ccccn2)nc1;;546.76;5.75;137644335;;;CHEMBL4086739;GENER;EPAM;25;0;"ph = 7.4, <a href=https://www.ebi.ac.uk/chembl/assay_report_card/CHEMBL4059168/  target=_blank>CHEMBL4059168</a>";;;;;;;;;-4.53;;;;;;;;;;;;"Miller EJ, Jecs E, Truax VM, Katzman BM, Tahirovic YA, Wilson RJ, Kuo KM, Kim MB, Nguyen HH, Saindane MT, Zhao H, Wang T, Sum CS, Cvijic ME, Schroeder GM, Wilson LJ, Liotta DC.: Discovery of Tetrahydroisoquinoline-Containing CXCR4 Antagonists with Improved in Vitro ADMET Properties. J Med Chem, Volume 61 (3), 2018";ChEMBL
MM472136;MM472136;O=C(NS(=O)(=O)CCN1CCOCC1)c1ccc(Nc2nc(NC3(c4ccc(Cl)cc4)CC3)nc(OCC(F)(F)F)n2)cc1;HAPYRRCWQVAEGZ-UHFFFAOYSA-N;656.09;3.7;56838676;;;CHEMBL4087136;GENER;EPAM;25;0;"ph = 7.4, <a href=https://www.ebi.ac.uk/chembl/assay_report_card/CHEMBL4004073/  target=_blank>CHEMBL4004073</a>";;;;;;;;;-5.46;;;;;;;;;;;;"Mull ES, Sun LQ, Zhao Q, Eggers B, Pokornowski K, Zhai G, Rajamani R, Jenkins S, Kramer M, Wang YK, Fang H, Tenney D, Baldick CJ, Cockett MI, Meanwell NA, Scola PM.: Functionalized triazines as potent HCV entry inhibitors. Bioorg Med Chem Lett, Volume 27 (4), 2017";ChEMBL
MM472180;MM472180;O=S(=O)(Nc1nccs1)c1cc(Cl)c(NCC2COCCO2)cc1F;;407.88;2.56;;;;CHEMBL4087220;GENER;EPAM;25;0;"ph = 5.5, <a href=https://www.ebi.ac.uk/chembl/assay_report_card/CHEMBL4046489/  target=_blank>CHEMBL4046489</a>";;;;;;;;;-4.68;;;;;;;;;;;;"Wu YJ, Guernon J, McClure A, Luo G, Rajamani R, Ng A, Easton A, Newton A, Bourin C, Parker D, Mosure K, Barnaby O, Soars MG, Knox RJ, Matchett M, Pieschl R, Herrington J, Chen P, Sivarao DV, Bristow LJ, Meanwell NA, Bronson J, Olson R, Thompson LA, Dzierba C.: Discovery of non-zwitterionic aryl sulfonamides as Na<sub>v</sub>1.7 inhibitors with efficacy in preclinical behavioral models and translational measures of nociceptive neuron activation. Bioorg Med Chem, Volume 25 (20), 2017";ChEMBL
MM472180;MM472180;O=S(=O)(Nc1nccs1)c1cc(Cl)c(NCC2COCCO2)cc1F;;407.88;2.56;;;;CHEMBL4087220;GENER;EPAM;25;0;"ph = 7.4, <a href=https://www.ebi.ac.uk/chembl/assay_report_card/CHEMBL4046490/  target=_blank>CHEMBL4046490</a>";;;;;;;;;-4.28;;;;;;;;;;;;"Wu YJ, Guernon J, McClure A, Luo G, Rajamani R, Ng A, Easton A, Newton A, Bourin C, Parker D, Mosure K, Barnaby O, Soars MG, Knox RJ, Matchett M, Pieschl R, Herrington J, Chen P, Sivarao DV, Bristow LJ, Meanwell NA, Bronson J, Olson R, Thompson LA, Dzierba C.: Discovery of non-zwitterionic aryl sulfonamides as Na<sub>v</sub>1.7 inhibitors with efficacy in preclinical behavioral models and translational measures of nociceptive neuron activation. Bioorg Med Chem, Volume 25 (20), 2017";ChEMBL
MM471724;MM471724;O=C(c1cc(F)cc(Cl)c1)N1CCc2oc(-c3ccc(F)cn3)nc2C1;CHAFCAFCZBTARK-UHFFFAOYSA-N;375.76;3.87;74221950;;;CHEMBL4087545;GENER;EPAM;25;0;"ph = 7.4, <a href=https://www.ebi.ac.uk/chembl/assay_report_card/CHEMBL4046794/  target=_blank>CHEMBL4046794</a>";;;;;;;;;-4.43;;;;;;;;;;;;"Hirose W, Kato Y, Natsutani I, Takata M, Kitaichi M, Imai S, Hayashi S, Arai Y, Hoshino K, Yoshida K.: Synthesis and optimization of 4,5,6,7-tetrahydrooxazolo[4,5-c]pyridines as potent and orally-active metabotropic glutamate receptor 5 negative allosteric modulators. Bioorg Med Chem Lett, Volume 27 (18), 2017";ChEMBL
MM473378;MM473378;Nc1noc2c(N3CCC(NC(=O)c4ccc(-n5cnc6ccccc65)cc4Cl)C3)ncc(Cl)c12;ABEOONNPOGQYDK-CYBMUJFWSA-N;508.37;4.46;118456946;;;CHEMBL4087720;GENER;EPAM;25;0;"<a href=https://www.ebi.ac.uk/chembl/assay_report_card/CHEMBL4018087/  target=_blank>CHEMBL4018087</a>";;;;;;;;;-5.48;;;;;;;;;;;;"Sakurada I, Endo T, Hikita K, Hirabayashi T, Hosaka Y, Kato Y, Maeda Y, Matsumoto S, Mizuno T, Nagasue H, Nishimura T, Shimada S, Shinozaki M, Taguchi K, Takeuchi K, Yokoyama T, Hruza A, Reichert P, Zhang T, Wood HB, Nakao K, Furusako S.: Discovery of novel aminobenzisoxazole derivatives as orally available factor IXa inhibitors. Bioorg Med Chem Lett, Volume 27 (11), 2017";ChEMBL
MM472187;MM472187;CNC(=O)c1cnc(Nc2ccc(F)cc2)cc1NC(c1ccccc1)C(O)CO;GVBOPEDUJHEBNN-CTNGQTDRSA-N;410.45;2.83;137644862;;;CHEMBL4087806;GENER;EPAM;25;0;"ph = 7.4, <a href=https://www.ebi.ac.uk/chembl/assay_report_card/CHEMBL4047626/  target=_blank>CHEMBL4047626</a>";;;;;;;;;-4.95;;;;;;;;;;;;"Bhide RS, Keon A, Weigelt C, Sack JS, Schmidt RJ, Lin S, Xiao HY, Spergel SH, Kempson J, Pitts WJ, Carman J, Poss MA.: Discovery and structure-based design of 4,6-diaminonicotinamides as potent and selective IRAK4 inhibitors. Bioorg Med Chem Lett, Volume 27 (21), 2017";ChEMBL
MM474252;MM474252;CN1CCN(CCOC(=O)N(c2cccc(Br)c2)c2nc(SCCN3CCOCC3)nc3c2cnn3CC(Cl)c2ccccc2)CC1;;744.16;5.52;121316022;;;CHEMBL4087882;GENER;EPAM;25;0;"<a href=https://www.ebi.ac.uk/chembl/assay_report_card/CHEMBL4013498/  target=_blank>CHEMBL4013498</a>";;;;;;;;;-5.67;;;;;;;;;;;;"Vignaroli G, Iovenitti G, Zamperini C, Coniglio F, Calandro P, Molinari A, Fallacara AL, Sartucci A, Calgani A, Colecchia D, Mancini A, Festuccia C, Dreassi E, Valoti M, Musumeci F, Chiariello M, Angelucci A, Botta M, Schenone S.: Prodrugs of Pyrazolo[3,4-d]pyrimidines: From Library Synthesis to Evaluation as Potential Anticancer Agents in an Orthotopic Glioblastoma Model. J Med Chem, Volume 60 (14), 2017";ChEMBL
MM471692;MM471692;O=S1(=Nc2ccc(C(F)(F)F)cc2)CCCCC1;WKVVOLKLPQHMSV-UHFFFAOYSA-N;277.31;3.99;;;;;GENER;EPAM;25;0;"ph = 7.4, <a href=https://www.ebi.ac.uk/chembl/assay_report_card/CHEMBL3992821/  target=_blank>CHEMBL3992821</a>";;;;;;;;;-5.11;;;;;;;;;;;;"Frings M, Bolm C, Blum A, Gnamm C.: Sulfoximines from a Medicinal Chemist's Perspective: Physicochemical and in vitro Parameters Relevant for Drug Discovery. Eur J Med Chem, Volume 126, 2017";ChEMBL
MM471436;MM471436;COC(=O)C1=CC(O)C(NC(C)=O)C(C(O)C(O)Cn2cc(-c3ccc(-c4ccccc4)cc3)nn2)O1;JRAYIHBGTTZJGI-YMXDKZJPSA-N;508.53;0.66;137643696;;;CHEMBL4088714;GENER;EPAM;25;0;"ph = 7.4, <a href=https://www.ebi.ac.uk/chembl/assay_report_card/CHEMBL4059390/  target=_blank>CHEMBL4059390</a>";;;;;;;;;-7.8;;;;;;;;;;;;"Guo T, Dätwyler P, Demina E, Richards MR, Ge P, Zou C, Zheng R, Fougerat A, Pshezhetsky AV, Ernst B, Cairo CW.: Selective Inhibitors of Human Neuraminidase 3. J Med Chem, Volume 61 (5), 2018";ChEMBL
MM472005;MM472005;CC(Nc1ccc(-c2ccnn2C)nc1)C(=O)Nc1ccc(-c2cccnc2)cn1;YBVCMIZESQAPMG-HNNXBMFYSA-N;399.46;3.38;86303027;;;CHEMBL4088716;GENER;EPAM;25;0;"ph = 7.4, <a href=https://www.ebi.ac.uk/chembl/assay_report_card/CHEMBL4000300/  target=_blank>CHEMBL4000300</a>";;;;;;;;;-4.3;;;;;;;;;;;;"Duraiswamy AJ, Lee MA, Madan B, Ang SH, Tan ES, Cheong WW, Ke Z, Pendharkar V, Ding LJ, Chew YS, Manoharan V, Sangthongpitag K, Alam J, Poulsen A, Ho SY, Virshup DM, Keller TH.: Discovery and Optimization of a Porcupine Inhibitor. J Med Chem, Volume 58 (15), 2015";ChEMBL
MM472514;MM472514;CN(Cc1ccc(C(F)(F)F)cc1)c1cc(C(=O)Nc2ccccc2)ncn1;KKXLQDGJOLYPFW-UHFFFAOYSA-N;386.38;4.38;137644182;;;CHEMBL4088721;GENER;EPAM;25;0;"at ph 4 to 8, <a href=https://www.ebi.ac.uk/chembl/assay_report_card/CHEMBL4032615/  target=_blank>CHEMBL4032615</a>";;;;;;;;;-4.9;;;;;;;;;;;;"Wilson CR, Gessner RK, Moosa A, Seldon R, Warner DF, Mizrahi V, Soares de Melo C, Simelane SB, Nchinda A, Abay E, Taylor D, Njoroge M, Brunschwig C, Lawrence N, Boshoff HIM, Barry CE, Sirgel FA, van Helden P, Harris CJ, Gordon R, Ghidelli-Disse S, Pflaumer H, Boesche M, Drewes G, Sanz O, Santos G, Rebollo-Lopez MJ, Urones B, Selenski C, Lafuente-Monasterio MJ, Axtman M, Lelièvre J, Ballell L, Mueller R, Street LJ, Ghorpade SR, Chibale K.: Novel Antitubercular 6-Dialkylaminopyrimidine Carboxamides from Phenotypic Whole-Cell High Throughput Screening of a SoftFocus Library: Structure-Activity Relationship and Target Identification Studies. J Med Chem, Volume 60 (24), 2017";ChEMBL
MM472360;MM472360;CN(Cc1ccccn1)Cc1ccccc1CNc1ccnc2cc(C#N)ccc12;;393.49;4.75;137644683;;;CHEMBL4089235;GENER;EPAM;25;0;"ph = 4, <a href=https://www.ebi.ac.uk/chembl/assay_report_card/CHEMBL4027134/  target=_blank>CHEMBL4027134</a>";;;;;;;;;-6.03;;;;;;;;;;;;"Joshi MC, Okombo J, Nsumiwa S, Ndove J, Taylor D, Wiesner L, Hunter R, Chibale K, Egan TJ.: 4-Aminoquinoline Antimalarials Containing a Benzylmethylpyridylmethylamine Group Are Active against Drug Resistant Plasmodium falciparum and Exhibit Oral Activity in Mice. J Med Chem, Volume 60 (24), 2017";ChEMBL
MM472360;MM472360;CN(Cc1ccccn1)Cc1ccccc1CNc1ccnc2cc(C#N)ccc12;;393.49;4.75;137644683;;;CHEMBL4089235;GENER;EPAM;25;0;"ph = 6.5, <a href=https://www.ebi.ac.uk/chembl/assay_report_card/CHEMBL4027135/  target=_blank>CHEMBL4027135</a>";;;;;;;;;-4.01;;;;;;;;;;;;"Joshi MC, Okombo J, Nsumiwa S, Ndove J, Taylor D, Wiesner L, Hunter R, Chibale K, Egan TJ.: 4-Aminoquinoline Antimalarials Containing a Benzylmethylpyridylmethylamine Group Are Active against Drug Resistant Plasmodium falciparum and Exhibit Oral Activity in Mice. J Med Chem, Volume 60 (24), 2017";ChEMBL
MM472483;MM472483;c1ccc2c(c1)CNC(CN(CCCCNC1CCNCC1)C1CCCc3cccnc31)C2;BLOHFKPUNFANKF-SXOMAYOGSA-N;447.67;3.6;137641652;;;CHEMBL4089307;GENER;EPAM;25;0;"ph = 5.5, <a href=https://www.ebi.ac.uk/chembl/assay_report_card/CHEMBL4059169/  target=_blank>CHEMBL4059169</a>";;;;;;;;;-5.72;;;;;;;;;;;;"Miller EJ, Jecs E, Truax VM, Katzman BM, Tahirovic YA, Wilson RJ, Kuo KM, Kim MB, Nguyen HH, Saindane MT, Zhao H, Wang T, Sum CS, Cvijic ME, Schroeder GM, Wilson LJ, Liotta DC.: Discovery of Tetrahydroisoquinoline-Containing CXCR4 Antagonists with Improved in Vitro ADMET Properties. J Med Chem, Volume 61 (3), 2018";ChEMBL
MM471689;MM471689;COc1ccc(N=S2(=O)CCCCC2)cc1;QFJDWAWVUWTKFX-UHFFFAOYSA-N;239.34;2.98;;;;;GENER;EPAM;25;0;"ph = 7.4, <a href=https://www.ebi.ac.uk/chembl/assay_report_card/CHEMBL3992821/  target=_blank>CHEMBL3992821</a>";;;;;;;;;-5.04;;;;;;;;;;;;"Frings M, Bolm C, Blum A, Gnamm C.: Sulfoximines from a Medicinal Chemist's Perspective: Physicochemical and in vitro Parameters Relevant for Drug Discovery. Eur J Med Chem, Volume 126, 2017";ChEMBL
MM472142;MM472142;O=C(NS(=O)(=O)CCNC(=O)C1CC1)c1ccc(Nc2nc(NC3(c4ccc(Cl)cc4)CC3)nc(OCC(F)(F)F)n2)cc1;RUNNQPIAHYEXMY-UHFFFAOYSA-N;654.07;3.9;90261162;;;CHEMBL4089487;GENER;EPAM;25;0;"ph = 7.4, <a href=https://www.ebi.ac.uk/chembl/assay_report_card/CHEMBL4004073/  target=_blank>CHEMBL4004073</a>";;;;;;;;;-7;;;;;;;;;;;;"Mull ES, Sun LQ, Zhao Q, Eggers B, Pokornowski K, Zhai G, Rajamani R, Jenkins S, Kramer M, Wang YK, Fang H, Tenney D, Baldick CJ, Cockett MI, Meanwell NA, Scola PM.: Functionalized triazines as potent HCV entry inhibitors. Bioorg Med Chem Lett, Volume 27 (4), 2017";ChEMBL
MM472455;MM472455;CC(C)OC(=O)N1CCC(n2nnc3cc(-c4cc(F)c(C(=O)N5CCCC5)cc4F)ncc32)CC1;RPSQVUOAZMEKNE-UHFFFAOYSA-N;498.53;4.19;132486941;;;CHEMBL4089628;GENER;EPAM;25;0;"ph = 6.2, <a href=https://www.ebi.ac.uk/chembl/assay_report_card/CHEMBL4056665/  target=_blank>CHEMBL4056665</a>";;;;;;;;;-4.01;;;;;;;;;;;;"Matsuda D, Kobashi Y, Mikami A, Kawamura M, Shiozawa F, Kawabe K, Hamada M, Nishimoto S, Kimura K, Miyoshi M, Takayama N, Kakinuma H, Ohtake N.: Novel 3H-[1,2,3]triazolo[4,5-c]pyridine derivatives as GPR119 agonists: Synthesis and structure-activity/solubility relationships. Bioorg Med Chem, Volume 25 (16), 2017";ChEMBL
MM473417;MM473417;Cn1cc2c(cc1=O)OCCCCc1cc(Cl)ccc1Oc1ccc(CS(C)(=O)=O)cc1-2;VQUNBKUXJFPQGY-UHFFFAOYSA-N;473.98;4.76;118137892;;;CHEMBL4089651;GENER;EPAM;25;0;"<a href=https://www.ebi.ac.uk/chembl/assay_report_card/CHEMBL4051120/  target=_blank>CHEMBL4051120</a>";;;;;;;;;-5.04;;;;;;;;;;;;"Wang L, Pratt JK, Soltwedel T, Sheppard GS, Fidanze SD, Liu D, Hasvold LA, Mantei RA, Holms JH, McClellan WJ, Wendt MD, Wada C, Frey R, Hansen TM, Hubbard R, Park CH, Li L, Magoc TJ, Albert DH, Lin X, Warder SE, Kovar P, Huang X, Wilcox D, Wang R, Rajaraman G, Petros AM, Hutchins CW, Panchal SC, Sun C, Elmore SW, Shen Y, Kati WM, McDaniel KF.: Fragment-Based, Structure-Enabled Discovery of Novel Pyridones and Pyridone Macrocycles as Potent Bromodomain and Extra-Terminal Domain (BET) Family Bromodomain Inhibitors. J Med Chem, Volume 60 (9), 2017";ChEMBL
MM472434;MM472434;CC1=C(c2nc(-c3ccc(C#N)cc3)cs2)C(c2ccc(F)nc2)NC(=O)N1;CLPACMYWDODQTI-UHFFFAOYSA-N;391.43;4;71504048;;;CHEMBL4089986;GENER;EPAM;25;0;"ph = 7.2, <a href=https://www.ebi.ac.uk/chembl/assay_report_card/CHEMBL4043725/  target=_blank>CHEMBL4043725</a>";;;;;;;;;-6.24;;;;;;;;;;;;"Pagano N, Teriete P, Mattmann ME, Yang L, Snyder BA, Cai Z, Heil ML, Cosford NDP.: An integrated chemical biology approach reveals the mechanism of action of HIV replication inhibitors. Bioorg Med Chem, Volume 25 (23), 2017";ChEMBL
MM473824;MM473824;CC(O)(CS(=O)(=O)c1ccc(F)cc1)C(=O)Nc1ccc(C#N)c(C(F)(F)F)c1;LKJPYSCBVHEWIU-UHFFFAOYSA-N;430.38;2.88;;;;;GENER;EPAM;25;0;"<a href=https://www.ebi.ac.uk/chembl/assay_report_card/CHEMBL1291553/  target=_blank>CHEMBL1291553</a>";;;;;;;;;-4.6;;;;;;;;;;;;"Yoshino H, Sato H, Shiraishi T, Tachibana K, Emura T, Honma A, Ishikura N, Tsunenari T, Watanabe M, Nishimoto A, Nakamura R, Nakagawa T, Ohta M, Takata N, Furumoto K, Kimura K, Kawata H.: Design and synthesis of an androgen receptor pure antagonist (CH5137291) for the treatment of castration-resistant prostate cancer. Bioorg Med Chem, Volume 18 (23), 2010";ChEMBL
MM474255;MM474255;CSc1nc(N(C(=O)OCCN2CCN(C)CC2)c2cccc(Cl)c2)c2cnn(CC(Cl)c3ccccc3)c2n1;;600.58;5.7;121316023;;;CHEMBL4090317;GENER;EPAM;25;0;"<a href=https://www.ebi.ac.uk/chembl/assay_report_card/CHEMBL4013498/  target=_blank>CHEMBL4013498</a>";;;;;;;;;-5.31;;;;;;;;;;;;"Vignaroli G, Iovenitti G, Zamperini C, Coniglio F, Calandro P, Molinari A, Fallacara AL, Sartucci A, Calgani A, Colecchia D, Mancini A, Festuccia C, Dreassi E, Valoti M, Musumeci F, Chiariello M, Angelucci A, Botta M, Schenone S.: Prodrugs of Pyrazolo[3,4-d]pyrimidines: From Library Synthesis to Evaluation as Potential Anticancer Agents in an Orthotopic Glioblastoma Model. J Med Chem, Volume 60 (14), 2017";ChEMBL
MM474592;MM474592;COc1ccc2c(c1)c(=O)ccn2CC(=O)Nc1cc(C)cc(C)c1;YTRZPZCTRHJQQJ-UHFFFAOYSA-N;336.39;3.27;;;;;GENER;EPAM;25;0;"<a href=https://www.ebi.ac.uk/chembl/assay_report_card/CHEMBL4042140/  target=_blank>CHEMBL4042140</a>";;;;;;;;;-4.72;;;;;;;;;;;;"Pitta E, Balabon O, Rogacki MK, Gómez J, Cunningham F, Joosens J, Augustyns K, van der Veken P, Bates R.: Differential characterization using readily accessible NMR experiments of novel N- and O-alkylated quinolin-4-ol, 1,5-naphthyridin-4-ol and quinazolin-4-ol derivatives with antimycobacterial activity. Eur J Med Chem, Volume 125, 2017";ChEMBL
MM471714;MM471714;O=C(NC1CCCCCC1)c1cc2c(Cl)cc(Cl)cc2[nH]1;;325.24;4.93;;;;CHEMBL4090593;GENER;EPAM;25;0;"ph = 5, <a href=https://www.ebi.ac.uk/chembl/assay_report_card/CHEMBL4017001/  target=_blank>CHEMBL4017001</a>";;;;;;;;;-6.52;;;;;;;;;;;;"Kozikowski AP, Onajole OK, Stec J, Dupont C, Viljoen A, Richard M, Chaira T, Lun S, Bishai W, Raj VS, Ordway D, Kremer L.: Targeting Mycolic Acid Transport by Indole-2-carboxamides for the Treatment of Mycobacterium abscessus Infections. J Med Chem, Volume 60 (13), 2017";ChEMBL
MM471714;MM471714;O=C(NC1CCCCCC1)c1cc2c(Cl)cc(Cl)cc2[nH]1;;325.24;4.93;;;;CHEMBL4090593;GENER;EPAM;25;0;"ph = 7.4, <a href=https://www.ebi.ac.uk/chembl/assay_report_card/CHEMBL4017002/  target=_blank>CHEMBL4017002</a>";;;;;;;;;-6.7;;;;;;;;;;;;"Kozikowski AP, Onajole OK, Stec J, Dupont C, Viljoen A, Richard M, Chaira T, Lun S, Bishai W, Raj VS, Ordway D, Kremer L.: Targeting Mycolic Acid Transport by Indole-2-carboxamides for the Treatment of Mycobacterium abscessus Infections. J Med Chem, Volume 60 (13), 2017";ChEMBL
MM473396;MM473396;CCC1CC(CC)CN(CCCNC(=O)C2CCN(Cc3nc(-c4ccccc4C)oc3C)CC2)C1;PLQAAWLLFZWOAD-PLQXJYEYSA-N;494.72;5.43;71768513;;;CHEMBL4091236;GENER;EPAM;25;0;"<a href=https://www.ebi.ac.uk/chembl/assay_report_card/CHEMBL4039805/  target=_blank>CHEMBL4039805</a>";;;;;;;;;-2.9;;;;;;;;;;;;"He S, Li K, Lin B, Hu Z, Xiao J, Hu X, Wang AQ, Xu X, Ferrer M, Southall N, Zheng W, Aubé J, Schoenen FJ, Marugan JJ, Liang TJ, Frankowski KJ.: Development of an Aryloxazole Class of Hepatitis C Virus Inhibitors Targeting the Entry Stage of the Viral Replication Cycle. J Med Chem, Volume 60 (14), 2017";ChEMBL
MM472429;MM472429;CC1=C(c2nc(-c3ccc(C#N)cc3)cs2)C(c2ccc(O)cc2)NC(=O)N1;BENQYSGJOKEREW-UHFFFAOYSA-N;388.45;4.17;71292658;;;CHEMBL4091347;GENER;EPAM;25;0;"ph = 7.2, <a href=https://www.ebi.ac.uk/chembl/assay_report_card/CHEMBL4043725/  target=_blank>CHEMBL4043725</a>";;;;;;;;;-7.82;;;;;;;;;;;;"Pagano N, Teriete P, Mattmann ME, Yang L, Snyder BA, Cai Z, Heil ML, Cosford NDP.: An integrated chemical biology approach reveals the mechanism of action of HIV replication inhibitors. Bioorg Med Chem, Volume 25 (23), 2017";ChEMBL
MM472164;MM472164;CC(C)CC1CC(C)C2(C(=O)Nc3ccc(F)cc32)N1C(=O)c1cn(Cc2ccccc2)cn1;CFOBSDBTRZXUQZ-AIFCEMJISA-N;460.55;4.81;132609318;;;CHEMBL4091579;GENER;EPAM;25;0;"ph = 7.4, <a href=https://www.ebi.ac.uk/chembl/assay_report_card/CHEMBL4044710/  target=_blank>CHEMBL4044710</a>";;;;;;;;;-4.74;;;;;;;;;;;;"Ito M, Iwatani M, Yamamoto T, Tanaka T, Kawamoto T, Morishita D, Nakanishi A, Maezaki H.: Discovery of spiro[indole-3,2'-pyrrolidin]-2(1H)-one based inhibitors targeting Brr2, a core component of the U5 snRNP. Bioorg Med Chem, Volume 25 (17), 2017";ChEMBL
MM474267;MM474267;Cc1cc(OCCCc2c3n(c4c(-c5c(C)nn(C)c5C)c(Cl)ccc24)CCCN(c2ccc(C(=O)O)c4ccn(C)c24)C3=O)cc(C)c1Cl;BEMIPHFYAIZMHC-UHFFFAOYSA-N;712.68;8.83;137654155;;;CHEMBL4091647;GENER;EPAM;25;0;"<a href=https://www.ebi.ac.uk/chembl/assay_report_card/CHEMBL4023197/  target=_blank>CHEMBL4023197</a>";;;;;;;;;-5.32;;;;;;;;;;;;"Shaw S, Bian Z, Zhao B, Tarr JC, Veerasamy N, Jeon KO, Belmar J, Arnold AL, Fogarty SA, Perry E, Sensintaffar JL, Camper DV, Rossanese OW, Lee T, Olejniczak ET, Fesik SW.: Optimization of Potent and Selective Tricyclic Indole Diazepinone Myeloid Cell Leukemia-1 Inhibitors Using Structure-Based Design. J Med Chem, Volume 61 (6), 2018";ChEMBL
MM471707;MM471707;C[S@@](=O)(=Nc1ccc(C(F)(F)F)cc1)c1ccccc1;GKHOMOKIJWOGMS-FQEVSTJZSA-N;299.32;4.49;;;;;GENER;EPAM;25;0;"ph = 7.4, <a href=https://www.ebi.ac.uk/chembl/assay_report_card/CHEMBL3992821/  target=_blank>CHEMBL3992821</a>";;;;;;;;;-5.46;;;;;;;;;;;;"Frings M, Bolm C, Blum A, Gnamm C.: Sulfoximines from a Medicinal Chemist's Perspective: Physicochemical and in vitro Parameters Relevant for Drug Discovery. Eur J Med Chem, Volume 126, 2017";ChEMBL
MM474585;MM474585;CC1OC(C)(C)C(=O)N(c2cc(-c3cc(C(F)(F)F)c4c(N)ncnn34)ccc2C#N)C1C;HNKLUXSZXIDIAN-NWDGAFQWSA-N;458.44;3.79;137653443;;;CHEMBL4091875;GENER;EPAM;25;0;"<a href=https://www.ebi.ac.uk/chembl/assay_report_card/CHEMBL4024927/  target=_blank>CHEMBL4024927</a>";;;;;;;;;-4.18;;;;;;;;;;;;"Marcoux D, Qin LY, Ruan Z, Shi Q, Ruan Q, Weigelt C, Qiu H, Schieven G, Hynes J, Bhide R, Poss M, Tino J.: Identification of highly potent and selective PI3Kδ inhibitors. Bioorg Med Chem Lett, Volume 27 (13), 2017";ChEMBL
MM472145;MM472145;O=S(=O)(Nc1nccs1)c1cc(Cl)c(NCC2(CN3CCCC3)CC2)cc1F;;444.99;4.02;;;;CHEMBL4092078;GENER;EPAM;25;0;"ph = 5.5, <a href=https://www.ebi.ac.uk/chembl/assay_report_card/CHEMBL4009761/  target=_blank>CHEMBL4009761</a>";;;;;;;;;-5.33;;;;;;;;;;;;"Wu YJ, Guernon J, Shi J, Ditta J, Robbins KJ, Rajamani R, Easton A, Newton A, Bourin C, Mosure K, Soars MG, Knox RJ, Matchett M, Pieschl RL, Post-Munson DJ, Wang S, Herrington J, Graef J, Newberry K, Bristow LJ, Meanwell NA, Olson R, Thompson LA, Dzierba C.: Development of New Benzenesulfonamides As Potent and Selective Na<sub>v</sub>1.7 Inhibitors for the Treatment of Pain. J Med Chem, Volume 60 (6), 2017";ChEMBL
MM472145;MM472145;O=S(=O)(Nc1nccs1)c1cc(Cl)c(NCC2(CN3CCCC3)CC2)cc1F;;444.99;4.02;;;;CHEMBL4092078;GENER;EPAM;25;0;"ph = 7.4, <a href=https://www.ebi.ac.uk/chembl/assay_report_card/CHEMBL4009762/  target=_blank>CHEMBL4009762</a>";;;;;;;;;-4.02;;;;;;;;;;;;"Wu YJ, Guernon J, Shi J, Ditta J, Robbins KJ, Rajamani R, Easton A, Newton A, Bourin C, Mosure K, Soars MG, Knox RJ, Matchett M, Pieschl RL, Post-Munson DJ, Wang S, Herrington J, Graef J, Newberry K, Bristow LJ, Meanwell NA, Olson R, Thompson LA, Dzierba C.: Development of New Benzenesulfonamides As Potent and Selective Na<sub>v</sub>1.7 Inhibitors for the Treatment of Pain. J Med Chem, Volume 60 (6), 2017";ChEMBL
MM473392;MM473392;COc1cccc(Nc2cc(-c3cccc(-c4ccc(C(=O)O)cc4)c3)nc3c2C(=O)NCC3)c1;CCHBMYVOWFLKLD-UHFFFAOYSA-N;465.51;5.15;53493994;;;CHEMBL4092158;GENER;EPAM;25;0;"<a href=https://www.ebi.ac.uk/chembl/assay_report_card/CHEMBL4038065/  target=_blank>CHEMBL4038065</a>";;;;;;;;;-5.46;;;;;;;;;;;;"Roberts RS, Sevilla S, Ferrer M, Taltavull J, Hernández B, Segarra V, Gràcia J, Lehner MD, Gavaldà A, Andrés M, Cabedo J, Vilella D, Eichhorn P, Calama E, Carcasona C, Miralpeix M.: 4-Amino-7,8-dihydro-1,6-naphthyridin-5(6 H)-ones as Inhaled Phosphodiesterase Type 4 (PDE4) Inhibitors: Structural Biology and Structure-Activity Relationships. J Med Chem, Volume 61 (6), 2018";ChEMBL
MM472131;MM472131;O=C(NS(=O)(=O)c1ccc(F)cc1)c1ccc(Nc2nc(NC3(c4ccc(Cl)cc4)CC3)nc(OCC(F)(F)F)n2)cc1;NNDKAXWMLYQJIG-UHFFFAOYSA-N;637.02;5.57;68189925;;;CHEMBL4092359;GENER;EPAM;25;0;"ph = 7.4, <a href=https://www.ebi.ac.uk/chembl/assay_report_card/CHEMBL4004073/  target=_blank>CHEMBL4004073</a>";;;;;;;;;-4.71;;;;;;;;;;;;"Mull ES, Sun LQ, Zhao Q, Eggers B, Pokornowski K, Zhai G, Rajamani R, Jenkins S, Kramer M, Wang YK, Fang H, Tenney D, Baldick CJ, Cockett MI, Meanwell NA, Scola PM.: Functionalized triazines as potent HCV entry inhibitors. Bioorg Med Chem Lett, Volume 27 (4), 2017";ChEMBL
MM472480;MM472480;c1ccc2c(c1)CNC(CN(CCCCNCc1ccncc1)C1CCCc3cccnc31)C2;ALNLTEGQXKHFSE-IZLXSDGUSA-N;455.65;4.44;137652982;;;CHEMBL4092405;GENER;EPAM;25;0;"ph = 5.5, <a href=https://www.ebi.ac.uk/chembl/assay_report_card/CHEMBL4059169/  target=_blank>CHEMBL4059169</a>";;;;;;;;;-6.19;;;;;;;;;;;;"Miller EJ, Jecs E, Truax VM, Katzman BM, Tahirovic YA, Wilson RJ, Kuo KM, Kim MB, Nguyen HH, Saindane MT, Zhao H, Wang T, Sum CS, Cvijic ME, Schroeder GM, Wilson LJ, Liotta DC.: Discovery of Tetrahydroisoquinoline-Containing CXCR4 Antagonists with Improved in Vitro ADMET Properties. J Med Chem, Volume 61 (3), 2018";ChEMBL
MM472179;MM472179;O=S(=O)(Nc1nccs1)c1cc(Cl)c(NCC2CCCCO2)cc1F;;405.9;3.72;;;;CHEMBL4092463;GENER;EPAM;25;0;"ph = 5.5, <a href=https://www.ebi.ac.uk/chembl/assay_report_card/CHEMBL4046489/  target=_blank>CHEMBL4046489</a>";;;;;;;;;-4.21;;;;;;;;;;;;"Wu YJ, Guernon J, McClure A, Luo G, Rajamani R, Ng A, Easton A, Newton A, Bourin C, Parker D, Mosure K, Barnaby O, Soars MG, Knox RJ, Matchett M, Pieschl R, Herrington J, Chen P, Sivarao DV, Bristow LJ, Meanwell NA, Bronson J, Olson R, Thompson LA, Dzierba C.: Discovery of non-zwitterionic aryl sulfonamides as Na<sub>v</sub>1.7 inhibitors with efficacy in preclinical behavioral models and translational measures of nociceptive neuron activation. Bioorg Med Chem, Volume 25 (20), 2017";ChEMBL
MM472179;MM472179;O=S(=O)(Nc1nccs1)c1cc(Cl)c(NCC2CCCCO2)cc1F;;405.9;3.72;;;;CHEMBL4092463;GENER;EPAM;25;0;"ph = 7.4, <a href=https://www.ebi.ac.uk/chembl/assay_report_card/CHEMBL4046490/  target=_blank>CHEMBL4046490</a>";;;;;;;;;-4.21;;;;;;;;;;;;"Wu YJ, Guernon J, McClure A, Luo G, Rajamani R, Ng A, Easton A, Newton A, Bourin C, Parker D, Mosure K, Barnaby O, Soars MG, Knox RJ, Matchett M, Pieschl R, Herrington J, Chen P, Sivarao DV, Bristow LJ, Meanwell NA, Bronson J, Olson R, Thompson LA, Dzierba C.: Discovery of non-zwitterionic aryl sulfonamides as Na<sub>v</sub>1.7 inhibitors with efficacy in preclinical behavioral models and translational measures of nociceptive neuron activation. Bioorg Med Chem, Volume 25 (20), 2017";ChEMBL
MM474270;MM474270;COc1c(C=Cc2ccc(NS(C)(=O)=O)cc2)cc(N2CCC(=O)NC2=O)cc1C(C)(C)C;OQFYZQSEUGUAKQ-RMKNXTFCSA-N;471.58;3.98;25234639;;;CHEMBL4092609;GENER;EPAM;25;0;"<a href=https://www.ebi.ac.uk/chembl/assay_report_card/CHEMBL4028508/  target=_blank>CHEMBL4028508</a>";;;;;;;;;-6.04;;;;;;;;;;;;"Randolph JT, Krueger AC, Donner PL, Pratt JK, Liu D, Motter CE, Rockway TW, Tufano MD, Wagner R, Lim HB, Beyer JM, Mondal R, Panchal NS, Colletti L, Liu Y, Koev G, Kati WM, Hernandez LE, Beno DWA, Longenecker KL, Stewart KD, Dumas EO, Molla A, Maring CJ.: Synthesis and Biological Characterization of Aryl Uracil Inhibitors of Hepatitis C Virus NS5B Polymerase: Discovery of ABT-072, a trans-Stilbene Analog with Good Oral Bioavailability. J Med Chem, Volume 61 (3), 2018";ChEMBL
MM474277;MM474277;COc1c(CNc2ccc(NS(C)(=O)=O)cc2)cc(N2CCC(=O)NC2=O)cc1C(C)(C)C;WATVRHVGYOGMIX-UHFFFAOYSA-N;474.58;3.42;67066610;;;CHEMBL4092727;GENER;EPAM;25;0;"<a href=https://www.ebi.ac.uk/chembl/assay_report_card/CHEMBL4028508/  target=_blank>CHEMBL4028508</a>";;;;;;;;;-6.39;;;;;;;;;;;;"Randolph JT, Krueger AC, Donner PL, Pratt JK, Liu D, Motter CE, Rockway TW, Tufano MD, Wagner R, Lim HB, Beyer JM, Mondal R, Panchal NS, Colletti L, Liu Y, Koev G, Kati WM, Hernandez LE, Beno DWA, Longenecker KL, Stewart KD, Dumas EO, Molla A, Maring CJ.: Synthesis and Biological Characterization of Aryl Uracil Inhibitors of Hepatitis C Virus NS5B Polymerase: Discovery of ABT-072, a trans-Stilbene Analog with Good Oral Bioavailability. J Med Chem, Volume 61 (3), 2018";ChEMBL
MM473375;MM473375;Nc1noc2c(N3CCC(NC(=O)c4ccc(-n5cnc(CCO)c5)cc4Cl)C3)ncc(Cl)c12;BGGBGEFMFFHNBU-CYBMUJFWSA-N;502.36;2.84;118457019;;;CHEMBL4092982;GENER;EPAM;25;0;"<a href=https://www.ebi.ac.uk/chembl/assay_report_card/CHEMBL4018087/  target=_blank>CHEMBL4018087</a>";;;;;;;;;-5.8;;;;;;;;;;;;"Sakurada I, Endo T, Hikita K, Hirabayashi T, Hosaka Y, Kato Y, Maeda Y, Matsumoto S, Mizuno T, Nagasue H, Nishimura T, Shimada S, Shinozaki M, Taguchi K, Takeuchi K, Yokoyama T, Hruza A, Reichert P, Zhang T, Wood HB, Nakao K, Furusako S.: Discovery of novel aminobenzisoxazole derivatives as orally available factor IXa inhibitors. Bioorg Med Chem Lett, Volume 27 (11), 2017";ChEMBL
MM472431;MM472431;CC1=C(c2nc(-c3ccc(C#N)cc3)cs2)C(c2cccnc2)NC(=O)N1C;NHZFWUYOYJCAKK-UHFFFAOYSA-N;387.47;4.2;137653496;;;CHEMBL4093135;GENER;EPAM;25;0;"ph = 7.2, <a href=https://www.ebi.ac.uk/chembl/assay_report_card/CHEMBL4043725/  target=_blank>CHEMBL4043725</a>";;;;;;;;;-7.5;;;;;;;;;;;;"Pagano N, Teriete P, Mattmann ME, Yang L, Snyder BA, Cai Z, Heil ML, Cosford NDP.: An integrated chemical biology approach reveals the mechanism of action of HIV replication inhibitors. Bioorg Med Chem, Volume 25 (23), 2017";ChEMBL
MM472777;MM472777;CC1(c2ccc(C=CC(=O)NCCC(F)(F)F)cc2)c2ccc(O)cc2CCN1c1ccc(F)cc1;IIMNFQHZEPVMPJ-YIXHJXPBSA-N;498.52;5.94;118184699;;;CHEMBL4093373;GENER;EPAM;25;0;"<a href=https://www.ebi.ac.uk/chembl/assay_report_card/CHEMBL4011153/  target=_blank>CHEMBL4011153</a>";;;;;;;;;-4.1;;;;;;;;;;;;"Burks HE, Abrams T, Kirby CA, Baird J, Fekete A, Hamann LG, Kim S, Lombardo F, Loo A, Lubicka D, Macchi K, McDonnell DP, Mishina Y, Norris JD, Nunez J, Saran C, Sun Y, Thomsen NM, Wang C, Wang J, Peukert S.: Discovery of an Acrylic Acid Based Tetrahydroisoquinoline as an Orally Bioavailable Selective Estrogen Receptor Degrader for ERα+ Breast Cancer. J Med Chem, Volume 60 (7), 2017";ChEMBL
MM474599;MM474599;Cn1ncc(C(=O)N[C@@H](Cc2ccc(OC(F)(F)F)c(Cl)c2)C(=O)NC2(C#N)CC2)n1;MRUMLWFTDYVUFL-LBPRGKRZSA-N;456.81;1.88;;;;;GENER;EPAM;25;0;"<a href=https://www.ebi.ac.uk/chembl/assay_report_card/CHEMBL4049106/  target=_blank>CHEMBL4049106</a>";;;;;;;;;-6.92;;;;;;;;;;;;"Giroud M, Kuhn B, Saint-Auret S, Kuratli C, Martin RE, Schuler F, Diederich F, Kaiser M, Brun R, Schirmeister T, Haap W.: 2 H-1,2,3-Triazole-Based Dipeptidyl Nitriles: Potent, Selective, and Trypanocidal Rhodesain Inhibitors by Structure-Based Design. J Med Chem, Volume 61 (8), 2018";ChEMBL
MM471716;MM471716;O=C1NC(=Nc2ccc(F)c(Cl)c2)SC1=Cc1ccc(-c2ccc(C(=O)O)c(O)c2)o1;YDFRXDRMHDKLMX-NVMNQCDNSA-N;458.85;5.23;136354478;;;CHEMBL4093485;GENER;EPAM;25;0;"ph = 7.4, <a href=https://www.ebi.ac.uk/chembl/assay_report_card/CHEMBL4018083/  target=_blank>CHEMBL4018083</a>";;;;;;;;;-5.8;;;;;;;;;;;;"Botta L, Maccari G, Calandro P, Tiberi M, Brai A, Zamperini C, Canducci F, Chiariello M, Martí-Centelles R, Falomir E, Carda M.: One drug for two targets: Biological evaluation of antiretroviral agents endowed with antiproliferative activity. Bioorg Med Chem Lett, Volume 27 (11), 2017";ChEMBL
MM471435;MM471435;CCCCOC(=O)C1=CC(O)C(NC(C)=O)C(C(O)C(O)Cn2cc(-c3ccc(-c4ccccc4)cc3)nn2)O1;UKLTUTWUHSKLAY-GMQNGPPWSA-N;550.61;1.83;137654940;;;CHEMBL4093596;GENER;EPAM;25;0;"ph = 7.4, <a href=https://www.ebi.ac.uk/chembl/assay_report_card/CHEMBL4059390/  target=_blank>CHEMBL4059390</a>";;;;;;;;;-6.5;;;;;;;;;;;;"Guo T, Dätwyler P, Demina E, Richards MR, Ge P, Zou C, Zheng R, Fougerat A, Pshezhetsky AV, Ernst B, Cairo CW.: Selective Inhibitors of Human Neuraminidase 3. J Med Chem, Volume 61 (5), 2018";ChEMBL
MM473388;MM473388;COc1ccc2c(c1)OC(c1ccc(OC)c(OC)c1)CC2NC(=O)C1(c2ccc3c(c2)OC(F)(F)O3)CC1;KDOQEEMQPHIANX-NFBKMPQASA-N;539.53;5.45;121301295;;;CHEMBL4093612;GENER;EPAM;25;0;"<a href=https://www.ebi.ac.uk/chembl/assay_report_card/CHEMBL4022900/  target=_blank>CHEMBL4022900</a>";;;;;;;;;-6.25;;;;;;;;;;;;"Wang X, Liu B, Searle X, Yeung C, Bogdan A, Greszler S, Singh A, Fan Y, Swensen AM, Vortherms T, Balut C, Jia Y, Desino K, Gao W, Yong H, Tse C, Kym P.: Discovery of 4-[(2R,4R)-4-({[1-(2,2-Difluoro-1,3-benzodioxol-5-yl)cyclopropyl]carbonyl}amino)-7-(difluoromethoxy)-3,4-dihydro-2H-chromen-2-yl]benzoic Acid (ABBV/GLPG-2222), a Potent Cystic Fibrosis Transmembrane Conductance Regulator (CFTR) Corrector for the Treatment of Cystic Fibrosis. J Med Chem, Volume 61 (4), 2018";ChEMBL
MM472343;MM472343;N#Cc1c(-c2ccc(C(F)(F)F)cc2)cc(NCCN2CCC(O)C2)n2c1nc1ccccc12;;465.48;4.52;137652807;;;CHEMBL4093636;GENER;EPAM;25;0;"ph = 6.5, <a href=https://www.ebi.ac.uk/chembl/assay_report_card/CHEMBL3996779/  target=_blank>CHEMBL3996779</a>";;;;;;;;;-4.9;;;;;;;;;;;;"Singh K, Okombo J, Brunschwig C, Ndubi F, Barnard L, Wilkinson C, Njogu PM, Njoroge M, Laing L, Machado M, Prudêncio M, Reader J, Botha M, Nondaba S, Birkholtz LM, Lauterbach S, Churchyard A, Coetzer TL, Burrows JN, Yeates C, Denti P, Wiesner L, Egan TJ, Wittlin S, Chibale K.: Antimalarial Pyrido[1,2-a]benzimidazoles: Lead Optimization, Parasite Life Cycle Stage Profile, Mechanistic Evaluation, Killing Kinetics, and in Vivo Oral Efficacy in a Mouse Model. J Med Chem, Volume 60 (4), 2017";ChEMBL
MM474579;MM474579;CS(=O)(=O)N1CCOC(c2csc(-c3cc(N4CCOCC4)ccc3NC(=O)c3ncc[nH]3)n2)C1;WWTNLDQWEKRXNB-IBGZPJMESA-N;518.62;1.96;124037112;;;CHEMBL4094158;GENER;EPAM;25;0;"<a href=https://www.ebi.ac.uk/chembl/assay_report_card/CHEMBL4001913/  target=_blank>CHEMBL4001913</a>";;;;;;;;;-4.74;;;;;;;;;;;;"Keung W, Boloor A, Brown J, Kiryanov A, Gangloff A, Lawson JD, Skene R, Hoffman I, Atienza J, Kahana J, De Jong R, Farrell P, Balakrishna D, Halkowycz P.: Structure-based optimization of 1H-imidazole-2-carboxamides as Axl kinase inhibitors utilizing a Mer mutant surrogate. Bioorg Med Chem Lett, Volume 27 (4), 2017";ChEMBL
MM473389;MM473389;O=C(NC1CC(c2cccc(CO)c2)Oc2ccccc21)C1(c2ccc3c(c2)OC(F)(F)O3)CC1;DGNDJPPKJOAWAC-GWQXNCQPSA-N;479.48;4.91;121301194;;;CHEMBL4094248;GENER;EPAM;25;0;"<a href=https://www.ebi.ac.uk/chembl/assay_report_card/CHEMBL4022900/  target=_blank>CHEMBL4022900</a>";;;;;;;;;-5.94;;;;;;;;;;;;"Wang X, Liu B, Searle X, Yeung C, Bogdan A, Greszler S, Singh A, Fan Y, Swensen AM, Vortherms T, Balut C, Jia Y, Desino K, Gao W, Yong H, Tse C, Kym P.: Discovery of 4-[(2R,4R)-4-({[1-(2,2-Difluoro-1,3-benzodioxol-5-yl)cyclopropyl]carbonyl}amino)-7-(difluoromethoxy)-3,4-dihydro-2H-chromen-2-yl]benzoic Acid (ABBV/GLPG-2222), a Potent Cystic Fibrosis Transmembrane Conductance Regulator (CFTR) Corrector for the Treatment of Cystic Fibrosis. J Med Chem, Volume 61 (4), 2018";ChEMBL
MM473363;MM473363;CCCCCc1ccc(NC(=O)COc2cc(C)nc3ccc(OC)cc23)cc1;CIKXYXJJBOWGQD-UHFFFAOYSA-N;392.5;5.3;;;;;GENER;EPAM;25;0;"<a href=https://www.ebi.ac.uk/chembl/assay_report_card/CHEMBL4003192/  target=_blank>CHEMBL4003192</a>";;;;;;;;;-5.77;;;;;;;;;;;;"Giacobbo BC, Pissinate K, Rodrigues-Junior V, Villela AD, Grams ES, Abbadi BL, Subtil FT, Sperotto N, Trindade RV, Back DF, Campos MM, Basso LA, Machado P, Santos DS.: New insights into the SAR and drug combination synergy of 2-(quinolin-4-yloxy)acetamides against Mycobacterium tuberculosis. Eur J Med Chem, Volume 126, 2017";ChEMBL
MM473410;MM473410;CCS(=O)(=O)Nc1ccc2c(c1)-c1cn(C)c(=O)cc1OCCCCCc1cc(Cl)ccc1O2;OXEPSQPFKZWCSV-UHFFFAOYSA-N;503.02;5.36;118137820;;;CHEMBL4094644;GENER;EPAM;25;0;"<a href=https://www.ebi.ac.uk/chembl/assay_report_card/CHEMBL4051120/  target=_blank>CHEMBL4051120</a>";;;;;;;;;-6.05;;;;;;;;;;;;"Wang L, Pratt JK, Soltwedel T, Sheppard GS, Fidanze SD, Liu D, Hasvold LA, Mantei RA, Holms JH, McClellan WJ, Wendt MD, Wada C, Frey R, Hansen TM, Hubbard R, Park CH, Li L, Magoc TJ, Albert DH, Lin X, Warder SE, Kovar P, Huang X, Wilcox D, Wang R, Rajaraman G, Petros AM, Hutchins CW, Panchal SC, Sun C, Elmore SW, Shen Y, Kati WM, McDaniel KF.: Fragment-Based, Structure-Enabled Discovery of Novel Pyridones and Pyridone Macrocycles as Potent Bromodomain and Extra-Terminal Domain (BET) Family Bromodomain Inhibitors. J Med Chem, Volume 60 (9), 2017";ChEMBL
MM474262;MM474262;Cc1cc(OCCCc2c3n(c4c(-c5c(C)nn(C)c5C)c(Cl)ccc24)CCCN(Cc2cccc(C(=O)O)c2)C3=O)cc(C)c1Cl;OUZJAEBUIMKQNH-UHFFFAOYSA-N;673.64;8.34;118406879;;;CHEMBL4094779;GENER;EPAM;25;0;"<a href=https://www.ebi.ac.uk/chembl/assay_report_card/CHEMBL4023197/  target=_blank>CHEMBL4023197</a>";;;;;;;;;-3.84;;;;;;;;;;;;"Shaw S, Bian Z, Zhao B, Tarr JC, Veerasamy N, Jeon KO, Belmar J, Arnold AL, Fogarty SA, Perry E, Sensintaffar JL, Camper DV, Rossanese OW, Lee T, Olejniczak ET, Fesik SW.: Optimization of Potent and Selective Tricyclic Indole Diazepinone Myeloid Cell Leukemia-1 Inhibitors Using Structure-Based Design. J Med Chem, Volume 61 (6), 2018";ChEMBL
MM472134;MM472134;CCN(CC)CCS(=O)(=O)NC(=O)c1ccc(Nc2nc(NC3(c4ccc(Cl)cc4)CC3)nc(OCC(F)(F)F)n2)cc1;MSTXAZGGZDLYJV-UHFFFAOYSA-N;642.1;4.71;68033105;;;CHEMBL4094830;GENER;EPAM;25;0;"ph = 7.4, <a href=https://www.ebi.ac.uk/chembl/assay_report_card/CHEMBL4004073/  target=_blank>CHEMBL4004073</a>";;;;;;;;;-5.14;;;;;;;;;;;;"Mull ES, Sun LQ, Zhao Q, Eggers B, Pokornowski K, Zhai G, Rajamani R, Jenkins S, Kramer M, Wang YK, Fang H, Tenney D, Baldick CJ, Cockett MI, Meanwell NA, Scola PM.: Functionalized triazines as potent HCV entry inhibitors. Bioorg Med Chem Lett, Volume 27 (4), 2017";ChEMBL
MM472121;MM472121;C=CC1CC1(NC(=O)C1CC(OC)(c2ccc(-c3ccccc3)cc2)CN1C(=O)C(NC(=O)OC(C)(C)C)C(C)(C)C)C(=O)NS(=O)(=O)C1CC1;;722.91;4.4;24801851;;;CHEMBL4095239;GENER;EPAM;25;0;"ph = 5.5, <a href=https://www.ebi.ac.uk/chembl/assay_report_card/CHEMBL4001455/  target=_blank>CHEMBL4001455</a>";;;;;;;;;-4.42;;;;;;;;;;;;"Wang AX, Chen J, Zhao Q, Sun LQ, Friborg J, Yu F, Hernandez D, Good AC, Klei HE, Rajamani R, Mosure K, Knipe JO, Li D, Zhu J, Levesque PC, McPhee F, Meanwell NA, Scola PM.: Structure-activity relationships of 4-hydroxy-4-biaryl-proline acylsulfonamide tripeptides: A series of potent NS3 protease inhibitors for the treatment of hepatitis C virus. Bioorg Med Chem Lett, Volume 27 (3), 2017";ChEMBL
MM472121;MM472121;C=CC1CC1(NC(=O)C1CC(OC)(c2ccc(-c3ccccc3)cc2)CN1C(=O)C(NC(=O)OC(C)(C)C)C(C)(C)C)C(=O)NS(=O)(=O)C1CC1;;722.91;4.4;24801851;;;CHEMBL4095239;GENER;EPAM;25;0;"ph = 7.4, <a href=https://www.ebi.ac.uk/chembl/assay_report_card/CHEMBL4001456/  target=_blank>CHEMBL4001456</a>";;;;;;;;;-4.36;;;;;;;;;;;;"Wang AX, Chen J, Zhao Q, Sun LQ, Friborg J, Yu F, Hernandez D, Good AC, Klei HE, Rajamani R, Mosure K, Knipe JO, Li D, Zhu J, Levesque PC, McPhee F, Meanwell NA, Scola PM.: Structure-activity relationships of 4-hydroxy-4-biaryl-proline acylsulfonamide tripeptides: A series of potent NS3 protease inhibitors for the treatment of hepatitis C virus. Bioorg Med Chem Lett, Volume 27 (3), 2017";ChEMBL
MM473360;MM473360;COc1ccc2nc(C)cc(OCC(=O)Nc3ccc(C)c(C)c3)c2c1;JOCYDTIBUFTHTA-UHFFFAOYSA-N;350.42;4.19;;;;;GENER;EPAM;25;0;"<a href=https://www.ebi.ac.uk/chembl/assay_report_card/CHEMBL4003192/  target=_blank>CHEMBL4003192</a>";;;;;;;;;-5.23;;;;;;;;;;;;"Giacobbo BC, Pissinate K, Rodrigues-Junior V, Villela AD, Grams ES, Abbadi BL, Subtil FT, Sperotto N, Trindade RV, Back DF, Campos MM, Basso LA, Machado P, Santos DS.: New insights into the SAR and drug combination synergy of 2-(quinolin-4-yloxy)acetamides against Mycobacterium tuberculosis. Eur J Med Chem, Volume 126, 2017";ChEMBL
MM473379;MM473379;Cn1cc(-c2ccc(C(=O)NC3CCN(c4ncc(Cl)c5c(N)noc45)C3)c(Cl)c2)ccc1=O;JQBSDZXMCJAJKM-CQSZACIVSA-N;499.36;3.49;137653817;;;CHEMBL4095415;GENER;EPAM;25;0;"<a href=https://www.ebi.ac.uk/chembl/assay_report_card/CHEMBL4018087/  target=_blank>CHEMBL4018087</a>";;;;;;;;;-5.19;;;;;;;;;;;;"Sakurada I, Endo T, Hikita K, Hirabayashi T, Hosaka Y, Kato Y, Maeda Y, Matsumoto S, Mizuno T, Nagasue H, Nishimura T, Shimada S, Shinozaki M, Taguchi K, Takeuchi K, Yokoyama T, Hruza A, Reichert P, Zhang T, Wood HB, Nakao K, Furusako S.: Discovery of novel aminobenzisoxazole derivatives as orally available factor IXa inhibitors. Bioorg Med Chem Lett, Volume 27 (11), 2017";ChEMBL
MM472189;MM472189;CNC(=O)c1cnc(Nc2ccc(OC)c(F)c2)cc1NC(c1ccccc1)C(O)CO;JCKCNGWRVGOVOL-KNQAVFIVSA-N;440.48;2.84;137653599;;;CHEMBL4095514;GENER;EPAM;25;0;"ph = 7.4, <a href=https://www.ebi.ac.uk/chembl/assay_report_card/CHEMBL4047626/  target=_blank>CHEMBL4047626</a>";;;;;;;;;-5.2;;;;;;;;;;;;"Bhide RS, Keon A, Weigelt C, Sack JS, Schmidt RJ, Lin S, Xiao HY, Spergel SH, Kempson J, Pitts WJ, Carman J, Poss MA.: Discovery and structure-based design of 4,6-diaminonicotinamides as potent and selective IRAK4 inhibitors. Bioorg Med Chem Lett, Volume 27 (21), 2017";ChEMBL
MM474250;MM474250;CN1CCN(CCOC(=O)N(Cc2ccccc2Cl)c2ncnc3c2cnn3CC(Cl)c2ccc(Br)cc2)CC1;;647.41;5.61;121316101;;;CHEMBL4095582;GENER;EPAM;25;0;"<a href=https://www.ebi.ac.uk/chembl/assay_report_card/CHEMBL4013498/  target=_blank>CHEMBL4013498</a>";;;;;;;;;-5.62;;;;;;;;;;;;"Vignaroli G, Iovenitti G, Zamperini C, Coniglio F, Calandro P, Molinari A, Fallacara AL, Sartucci A, Calgani A, Colecchia D, Mancini A, Festuccia C, Dreassi E, Valoti M, Musumeci F, Chiariello M, Angelucci A, Botta M, Schenone S.: Prodrugs of Pyrazolo[3,4-d]pyrimidines: From Library Synthesis to Evaluation as Potential Anticancer Agents in an Orthotopic Glioblastoma Model. J Med Chem, Volume 60 (14), 2017";ChEMBL
MM473367;MM473367;CN(C)C1CN(Cc2c(F)cccc2Cl)CC1c1cn(C)c2ccccc12;SGJDIPHHTWORQM-VGSWGCGISA-N;385.91;4.5;137655015;;;CHEMBL4095605;GENER;EPAM;25;0;"<a href=https://www.ebi.ac.uk/chembl/assay_report_card/CHEMBL4007113/  target=_blank>CHEMBL4007113</a>";;;;;;;;;-6;;;;;;;;;;;;"Curtin ML, Pliushchev MA, Li HQ, Torrent M, Dietrich JD, Jakob CG, Zhu H, Zhao H, Wang Y, Ji Z, Clark RF, Sarris KA, Selvaraju S, Shaw B, Algire MA, He Y, Richardson PL, Sweis RF, Sun C, Chiang GG, Michaelides MR.: SAR of amino pyrrolidines as potent and novel protein-protein interaction inhibitors of the PRC2 complex through EED binding. Bioorg Med Chem Lett, Volume 27 (7), 2017";ChEMBL
MM471699;MM471699;CCS(C)(=O)=Nc1ccc(C(F)(F)F)cc1;PURSEKFOEZFVTI-UHFFFAOYSA-N;251.27;3.45;;;;;GENER;EPAM;25;0;"ph = 7.4, <a href=https://www.ebi.ac.uk/chembl/assay_report_card/CHEMBL3992821/  target=_blank>CHEMBL3992821</a>";;;;;;;;;-5.11;;;;;;;;;;;;"Frings M, Bolm C, Blum A, Gnamm C.: Sulfoximines from a Medicinal Chemist's Perspective: Physicochemical and in vitro Parameters Relevant for Drug Discovery. Eur J Med Chem, Volume 126, 2017";ChEMBL
MM473404;MM473404;CCCN(CCC)CCNC(=O)C1CCN(Cc2nc(-c3ccccc3C)oc2C)CC1;DKIVYPAUNSOQKJ-UHFFFAOYSA-N;440.63;4.41;60182361;;;CHEMBL4095739;GENER;EPAM;25;0;"<a href=https://www.ebi.ac.uk/chembl/assay_report_card/CHEMBL4039805/  target=_blank>CHEMBL4039805</a>";;;;;;;;;-3.04;;;;;;;;;;;;"He S, Li K, Lin B, Hu Z, Xiao J, Hu X, Wang AQ, Xu X, Ferrer M, Southall N, Zheng W, Aubé J, Schoenen FJ, Marugan JJ, Liang TJ, Frankowski KJ.: Development of an Aryloxazole Class of Hepatitis C Virus Inhibitors Targeting the Entry Stage of the Viral Replication Cycle. J Med Chem, Volume 60 (14), 2017";ChEMBL
MM471429;MM471429;Cc1ccccc1-c1ccc(OC2OC(CO)C(O)C(O)C2O)c(Cl)c1;WBAVSMMWQAGAGW-GFEQUFNTSA-N;380.82;1.49;137655057;;;CHEMBL4096116;GENER;EPAM;25;0;"ph = 7.4, <a href=https://www.ebi.ac.uk/chembl/assay_report_card/CHEMBL4015741/  target=_blank>CHEMBL4015741</a>";;;;;;;;;-4.6;;;;;;;;;;;;"Mayer K, Eris D, Schwardt O, Sager CP, Rabbani S, Kleeb S, Ernst B.: Urinary Tract Infection: Which Conformation of the Bacterial Lectin FimH Is Therapeutically Relevant? J Med Chem, Volume 60 (13), 2017";ChEMBL
MM474622;MM474622;"NC/C=C\CN(C[C@H]1Cc2ccccc2CN1)[C@H]1CCCc2cccnc21";;362.52;2.99;;;;CHEMBL4096305;GENER;EPAM;25;0;"<a href=https://www.ebi.ac.uk/chembl/assay_report_card/CHEMBL4144849/  target=_blank>CHEMBL4144849</a>";;;;;;;;;-4.24;;;;;;;;;;;;"Jecs E, Miller EJ, Wilson RJ, Nguyen HH, Tahirovic YA, Katzman BM, Truax VM, Kim MB, Kuo KM, Wang T, Sum CS, Cvijic ME, Schroeder GM, Wilson LJ, Liotta DC.: Synthesis of Novel Tetrahydroisoquinoline CXCR4 Antagonists with Rigidified Side-Chains. ACS Med Chem Lett, Volume 9 (2), 2018";ChEMBL
MM474622;MM474622;"NC/C=C\CN(C[C@H]1Cc2ccccc2CN1)[C@H]1CCCc2cccnc21";;362.52;2.99;;;;CHEMBL4096305;GENER;EPAM;25;0;"<a href=https://www.ebi.ac.uk/chembl/assay_report_card/CHEMBL4144850/  target=_blank>CHEMBL4144850</a>";;;;;;;;;-5.41;;;;;;;;;;;;"Jecs E, Miller EJ, Wilson RJ, Nguyen HH, Tahirovic YA, Katzman BM, Truax VM, Kim MB, Kuo KM, Wang T, Sum CS, Cvijic ME, Schroeder GM, Wilson LJ, Liotta DC.: Synthesis of Novel Tetrahydroisoquinoline CXCR4 Antagonists with Rigidified Side-Chains. ACS Med Chem Lett, Volume 9 (2), 2018";ChEMBL
MM473380;MM473380;Cc1ncn(-c2ccc(C(=O)NC3C4CCC3N(c3ncc(Cl)c5cnoc35)C4)c(Cl)c2)n1;PQCRELQHENQSGP-RQUSPXKASA-N;484.35;3.82;137655944;;;CHEMBL4096341;GENER;EPAM;25;0;"<a href=https://www.ebi.ac.uk/chembl/assay_report_card/CHEMBL4018087/  target=_blank>CHEMBL4018087</a>";;;;;;;;;-5.19;;;;;;;;;;;;"Sakurada I, Endo T, Hikita K, Hirabayashi T, Hosaka Y, Kato Y, Maeda Y, Matsumoto S, Mizuno T, Nagasue H, Nishimura T, Shimada S, Shinozaki M, Taguchi K, Takeuchi K, Yokoyama T, Hruza A, Reichert P, Zhang T, Wood HB, Nakao K, Furusako S.: Discovery of novel aminobenzisoxazole derivatives as orally available factor IXa inhibitors. Bioorg Med Chem Lett, Volume 27 (11), 2017";ChEMBL
MM471438;MM471438;CCCOC(=O)C1=CC(O)C(NC(C)=O)C(C(O)C(O)Cn2cc(-c3ccc(-c4ccccc4)cc3)nn2)O1;SXZXOENDBNGESL-LIOLAYKBSA-N;536.59;1.44;137655749;;;CHEMBL4096420;GENER;EPAM;25;0;"ph = 7.4, <a href=https://www.ebi.ac.uk/chembl/assay_report_card/CHEMBL4059390/  target=_blank>CHEMBL4059390</a>";;;;;;;;;-8.2;;;;;;;;;;;;"Guo T, Dätwyler P, Demina E, Richards MR, Ge P, Zou C, Zheng R, Fougerat A, Pshezhetsky AV, Ernst B, Cairo CW.: Selective Inhibitors of Human Neuraminidase 3. J Med Chem, Volume 61 (5), 2018";ChEMBL
MM472123;MM472123;CN1CC(Nc2cnn(C)c(=O)c2Br)CC(c2ccccc2)C1;VZAFGXCWAWRULT-KGLIPLIRSA-N;377.29;2.44;132941768;;;CHEMBL4096641;GENER;EPAM;25;0;"ph = 7.4, <a href=https://www.ebi.ac.uk/chembl/assay_report_card/CHEMBL4003558/  target=_blank>CHEMBL4003558</a>";;;;;;;;;-4.33;;;;;;;;;;;;"Humphreys PG, Bamborough P, Chung CW, Craggs PD, Gordon L, Grandi P, Hayhow TG, Hussain J, Jones KL, Lindon M, Michon AM, Renaux JF, Suckling CJ, Tough DF, Prinjha RK.: Discovery of a Potent, Cell Penetrant, and Selective p300/CBP-Associated Factor (PCAF)/General Control Nonderepressible 5 (GCN5) Bromodomain Chemical Probe. J Med Chem, Volume 60 (2), 2017";ChEMBL
MM472125;MM472125;O=C(O)c1ccc(Nc2nc(NC3(c4ccc(Cl)cc4)CC3)nc(OCC(F)(F)F)n2)cc1;FKYJDMDPNVUPKB-UHFFFAOYSA-N;479.85;5.01;66765416;;;CHEMBL4096660;GENER;EPAM;25;0;"ph = 7.4, <a href=https://www.ebi.ac.uk/chembl/assay_report_card/CHEMBL4004073/  target=_blank>CHEMBL4004073</a>";;;;;;;;;-5.23;;;;;;;;;;;;"Mull ES, Sun LQ, Zhao Q, Eggers B, Pokornowski K, Zhai G, Rajamani R, Jenkins S, Kramer M, Wang YK, Fang H, Tenney D, Baldick CJ, Cockett MI, Meanwell NA, Scola PM.: Functionalized triazines as potent HCV entry inhibitors. Bioorg Med Chem Lett, Volume 27 (4), 2017";ChEMBL
MM472787;MM472787;CCN(Cc1cccs1)C(=O)COc1ccc(C)cc1;AUKQNHDSDFEBNH-UHFFFAOYSA-N;289.4;3.48;67512098;;;CHEMBL4096839;GENER;EPAM;25;0;"<a href=https://www.ebi.ac.uk/chembl/assay_report_card/CHEMBL4056651/  target=_blank>CHEMBL4056651</a>";;;;;;;;;-5.12;;;;;;;;;;;;"Noncovich A, Priest C, Ung J, Patron AP, Servant G, Brust P, Servant N, Faber N, Liu H, Gonsalves NS, Ditschun TL.: Discovery and development of a novel class of phenoxyacetyl amides as highly potent TRPM8 agonists for use as cooling agents. Bioorg Med Chem Lett, Volume 27 (16), 2017";ChEMBL
MM471696;MM471696;O=S1(=Nc2ccncc2)CCCCC1;FZBJUNSDDHHTBV-UHFFFAOYSA-N;210.3;2.37;;;;;GENER;EPAM;25;0;"ph = 7.4, <a href=https://www.ebi.ac.uk/chembl/assay_report_card/CHEMBL3992821/  target=_blank>CHEMBL3992821</a>";;;;;;;;;-5.24;;;;;;;;;;;;"Frings M, Bolm C, Blum A, Gnamm C.: Sulfoximines from a Medicinal Chemist's Perspective: Physicochemical and in vitro Parameters Relevant for Drug Discovery. Eur J Med Chem, Volume 126, 2017";ChEMBL
MM472350;MM472350;CCNCCNc1cc(-c2ccc(C(F)(F)F)cc2)c(C#N)c2nc3cc(Cl)c(Cl)cc3n12;HKPBHLMDSRZZLF-UHFFFAOYSA-N;492.33;6.37;132606865;;;CHEMBL4097733;GENER;EPAM;25;0;"ph = 6.5, <a href=https://www.ebi.ac.uk/chembl/assay_report_card/CHEMBL3996779/  target=_blank>CHEMBL3996779</a>";;;;;;;;;-6.5;;;;;;;;;;;;"Singh K, Okombo J, Brunschwig C, Ndubi F, Barnard L, Wilkinson C, Njogu PM, Njoroge M, Laing L, Machado M, Prudêncio M, Reader J, Botha M, Nondaba S, Birkholtz LM, Lauterbach S, Churchyard A, Coetzer TL, Burrows JN, Yeates C, Denti P, Wiesner L, Egan TJ, Wittlin S, Chibale K.: Antimalarial Pyrido[1,2-a]benzimidazoles: Lead Optimization, Parasite Life Cycle Stage Profile, Mechanistic Evaluation, Killing Kinetics, and in Vivo Oral Efficacy in a Mouse Model. J Med Chem, Volume 60 (4), 2017";ChEMBL
MM472157;MM472157;O=C1Nc2cc(=O)n(Cc3ccccc3)cc2CN1c1cccc(OCc2cccnc2)c1;PSWMJOPGLAUUCC-UHFFFAOYSA-N;438.49;4.42;137661341;;;CHEMBL4097764;GENER;EPAM;25;0;"ph = 7.4, <a href=https://www.ebi.ac.uk/chembl/assay_report_card/CHEMBL4017295/  target=_blank>CHEMBL4017295</a>";;;;;;;;;-4.85;;;;;;;;;;;;"Iwatani-Yoshihara M, Ito M, Klein MG, Yamamoto T, Yonemori K, Tanaka T, Miwa M, Morishita D, Endo S, Tjhen R, Qin L, Nakanishi A, Maezaki H, Kawamoto T.: Discovery of Allosteric Inhibitors Targeting the Spliceosomal RNA Helicase Brr2. J Med Chem, Volume 60 (13), 2017";ChEMBL
MM472482;MM472482;c1ccc2c(c1)CNC(CN(CCCCNC1CCCCC1)C1CCCc3cccnc31)C2;AEOPBRLVLXDVLL-IZLXSDGUSA-N;446.68;5.18;137662026;;;CHEMBL4097946;GENER;EPAM;25;0;"ph = 5.5, <a href=https://www.ebi.ac.uk/chembl/assay_report_card/CHEMBL4059169/  target=_blank>CHEMBL4059169</a>";;;;;;;;;-5.84;;;;;;;;;;;;"Miller EJ, Jecs E, Truax VM, Katzman BM, Tahirovic YA, Wilson RJ, Kuo KM, Kim MB, Nguyen HH, Saindane MT, Zhao H, Wang T, Sum CS, Cvijic ME, Schroeder GM, Wilson LJ, Liotta DC.: Discovery of Tetrahydroisoquinoline-Containing CXCR4 Antagonists with Improved in Vitro ADMET Properties. J Med Chem, Volume 61 (3), 2018";ChEMBL
MM471702;MM471702;O=S1(=Nc2ccc(C(F)(F)F)cc2)CCC1;JIBPWRMMGHQEQJ-UHFFFAOYSA-N;249.26;3.21;;;;;GENER;EPAM;25;0;"ph = 7.4, <a href=https://www.ebi.ac.uk/chembl/assay_report_card/CHEMBL3992821/  target=_blank>CHEMBL3992821</a>";;;;;;;;;-5.02;;;;;;;;;;;;"Frings M, Bolm C, Blum A, Gnamm C.: Sulfoximines from a Medicinal Chemist's Perspective: Physicochemical and in vitro Parameters Relevant for Drug Discovery. Eur J Med Chem, Volume 126, 2017";ChEMBL
MM474253;MM474253;CSc1nc(N(CCc2ccccc2)C(=O)OCCN2CCN(C)CC2)c2cnn(CC(Cl)c3ccccc3)c2n1;;594.19;4.96;121316091;;;CHEMBL4098025;GENER;EPAM;25;0;"<a href=https://www.ebi.ac.uk/chembl/assay_report_card/CHEMBL4013498/  target=_blank>CHEMBL4013498</a>";;;;;;;;;-6.07;;;;;;;;;;;;"Vignaroli G, Iovenitti G, Zamperini C, Coniglio F, Calandro P, Molinari A, Fallacara AL, Sartucci A, Calgani A, Colecchia D, Mancini A, Festuccia C, Dreassi E, Valoti M, Musumeci F, Chiariello M, Angelucci A, Botta M, Schenone S.: Prodrugs of Pyrazolo[3,4-d]pyrimidines: From Library Synthesis to Evaluation as Potential Anticancer Agents in an Orthotopic Glioblastoma Model. J Med Chem, Volume 60 (14), 2017";ChEMBL
MM473397;MM473397;Cc1ccccc1-c1nc(CN2CCC(C(=O)NCCCN3CCC(C(C)C)CC3)CC2)c(C)o1;HWFAQTCAZQTURK-UHFFFAOYSA-N;480.7;5.04;71307911;;;CHEMBL4098131;GENER;EPAM;25;0;"<a href=https://www.ebi.ac.uk/chembl/assay_report_card/CHEMBL4039805/  target=_blank>CHEMBL4039805</a>";;;;;;;;;-3.4;;;;;;;;;;;;"He S, Li K, Lin B, Hu Z, Xiao J, Hu X, Wang AQ, Xu X, Ferrer M, Southall N, Zheng W, Aubé J, Schoenen FJ, Marugan JJ, Liang TJ, Frankowski KJ.: Development of an Aryloxazole Class of Hepatitis C Virus Inhibitors Targeting the Entry Stage of the Viral Replication Cycle. J Med Chem, Volume 60 (14), 2017";ChEMBL
MM474590;MM474590;COc1ccc2nc(C)nc(OCC(=O)Nc3cc(C)cc(C)c3)c2c1;WMNNLXLWKSYDQY-UHFFFAOYSA-N;351.41;3.58;;;;;GENER;EPAM;25;0;"<a href=https://www.ebi.ac.uk/chembl/assay_report_card/CHEMBL4042140/  target=_blank>CHEMBL4042140</a>";;;;;;;;;-4.43;;;;;;;;;;;;"Pitta E, Balabon O, Rogacki MK, Gómez J, Cunningham F, Joosens J, Augustyns K, van der Veken P, Bates R.: Differential characterization using readily accessible NMR experiments of novel N- and O-alkylated quinolin-4-ol, 1,5-naphthyridin-4-ol and quinazolin-4-ol derivatives with antimycobacterial activity. Eur J Med Chem, Volume 125, 2017";ChEMBL
MM471725;MM471725;O=C(c1cc(F)cc(Cl)c1)N1CCn2nc(-c3ccc(F)cn3)cc2C1;PAVOURBCAONWKJ-UHFFFAOYSA-N;374.78;3.53;137662068;;;CHEMBL4098822;GENER;EPAM;25;0;"ph = 7.4, <a href=https://www.ebi.ac.uk/chembl/assay_report_card/CHEMBL4046794/  target=_blank>CHEMBL4046794</a>";;;;;;;;;-4.43;;;;;;;;;;;;"Hirose W, Kato Y, Natsutani I, Takata M, Kitaichi M, Imai S, Hayashi S, Arai Y, Hoshino K, Yoshida K.: Synthesis and optimization of 4,5,6,7-tetrahydrooxazolo[4,5-c]pyridines as potent and orally-active metabotropic glutamate receptor 5 negative allosteric modulators. Bioorg Med Chem Lett, Volume 27 (18), 2017";ChEMBL
MM472003;MM472003;CC(Nc1ccc(-c2ccnn2C)nc1)C(=O)Nc1ccc(-c2cccnc2)nc1;UTBGFYWFGKMYNX-HNNXBMFYSA-N;399.46;3.38;117671078;;;CHEMBL4098880;GENER;EPAM;25;0;"ph = 7.4, <a href=https://www.ebi.ac.uk/chembl/assay_report_card/CHEMBL4000300/  target=_blank>CHEMBL4000300</a>";;;;;;;;;-4.57;;;;;;;;;;;;"Duraiswamy AJ, Lee MA, Madan B, Ang SH, Tan ES, Cheong WW, Ke Z, Pendharkar V, Ding LJ, Chew YS, Manoharan V, Sangthongpitag K, Alam J, Poulsen A, Ho SY, Virshup DM, Keller TH.: Discovery and Optimization of a Porcupine Inhibitor. J Med Chem, Volume 58 (15), 2015";ChEMBL
MM474275;MM474275;COc1c(NC(=O)c2ccc(NS(C)(=O)=O)cc2)cc(N2CCC(=O)NC2=O)cc1C(C)(C)C;TWBYUOROLUMUTB-UHFFFAOYSA-N;488.57;3.06;42600062;;;CHEMBL4098935;GENER;EPAM;25;0;"<a href=https://www.ebi.ac.uk/chembl/assay_report_card/CHEMBL4028508/  target=_blank>CHEMBL4028508</a>";;;;;;;;;-6.66;;;;;;;;;;;;"Randolph JT, Krueger AC, Donner PL, Pratt JK, Liu D, Motter CE, Rockway TW, Tufano MD, Wagner R, Lim HB, Beyer JM, Mondal R, Panchal NS, Colletti L, Liu Y, Koev G, Kati WM, Hernandez LE, Beno DWA, Longenecker KL, Stewart KD, Dumas EO, Molla A, Maring CJ.: Synthesis and Biological Characterization of Aryl Uracil Inhibitors of Hepatitis C Virus NS5B Polymerase: Discovery of ABT-072, a trans-Stilbene Analog with Good Oral Bioavailability. J Med Chem, Volume 61 (3), 2018";ChEMBL
MM471700;MM471700;CS(=O)(=Nc1ccc(C(F)(F)F)cc1)C1CC1;MTQSILGEXGPHBV-UHFFFAOYSA-N;263.28;3.6;;;;;GENER;EPAM;25;0;"ph = 7.4, <a href=https://www.ebi.ac.uk/chembl/assay_report_card/CHEMBL3992821/  target=_blank>CHEMBL3992821</a>";;;;;;;;;-5.11;;;;;;;;;;;;"Frings M, Bolm C, Blum A, Gnamm C.: Sulfoximines from a Medicinal Chemist's Perspective: Physicochemical and in vitro Parameters Relevant for Drug Discovery. Eur J Med Chem, Volume 126, 2017";ChEMBL
MM473412;MM473412;CCS(=O)(=O)Nc1ccc2c(c1)-c1cn(C)c(=O)cc1OCCCCc1cc(F)cc(F)c1O2;BYFSQAHWOPJWRA-UHFFFAOYSA-N;490.53;4.6;118137789;;;CHEMBL4099010;GENER;EPAM;25;0;"<a href=https://www.ebi.ac.uk/chembl/assay_report_card/CHEMBL4051120/  target=_blank>CHEMBL4051120</a>";;;;;;;;;-5.17;;;;;;;;;;;;"Wang L, Pratt JK, Soltwedel T, Sheppard GS, Fidanze SD, Liu D, Hasvold LA, Mantei RA, Holms JH, McClellan WJ, Wendt MD, Wada C, Frey R, Hansen TM, Hubbard R, Park CH, Li L, Magoc TJ, Albert DH, Lin X, Warder SE, Kovar P, Huang X, Wilcox D, Wang R, Rajaraman G, Petros AM, Hutchins CW, Panchal SC, Sun C, Elmore SW, Shen Y, Kati WM, McDaniel KF.: Fragment-Based, Structure-Enabled Discovery of Novel Pyridones and Pyridone Macrocycles as Potent Bromodomain and Extra-Terminal Domain (BET) Family Bromodomain Inhibitors. J Med Chem, Volume 60 (9), 2017";ChEMBL
MM472138;MM472138;CC(C)(C)CNCCS(=O)(=O)NC(=O)c1ccc(Nc2nc(NC3(c4ccc(Cl)cc4)CC3)nc(OCC(F)(F)F)n2)cc1;WXGOVQCXASWGBF-UHFFFAOYSA-N;656.13;5.01;90261136;;;CHEMBL4099182;GENER;EPAM;25;0;"ph = 7.4, <a href=https://www.ebi.ac.uk/chembl/assay_report_card/CHEMBL4004073/  target=_blank>CHEMBL4004073</a>";;;;;;;;;-4.19;;;;;;;;;;;;"Mull ES, Sun LQ, Zhao Q, Eggers B, Pokornowski K, Zhai G, Rajamani R, Jenkins S, Kramer M, Wang YK, Fang H, Tenney D, Baldick CJ, Cockett MI, Meanwell NA, Scola PM.: Functionalized triazines as potent HCV entry inhibitors. Bioorg Med Chem Lett, Volume 27 (4), 2017";ChEMBL
MM472163;MM472163;CC(C)C[C@@H]1C[C@H](C)[C@@]2(C(=O)Nc3ccc(F)cc32)N1C(=O)c1cn(C)cn1;WAFNVKVWBPXGHK-QDUSTFBWSA-N;384.46;3.3;;;;;GENER;EPAM;25;0;"ph = 7.4, <a href=https://www.ebi.ac.uk/chembl/assay_report_card/CHEMBL4044710/  target=_blank>CHEMBL4044710</a>";;;;;;;;;-4.77;;;;;;;;;;;;"Ito M, Iwatani M, Yamamoto T, Tanaka T, Kawamoto T, Morishita D, Nakanishi A, Maezaki H.: Discovery of spiro[indole-3,2'-pyrrolidin]-2(1H)-one based inhibitors targeting Brr2, a core component of the U5 snRNP. Bioorg Med Chem, Volume 25 (17), 2017";ChEMBL
MM472357;MM472357;CN(Cc1ccccn1)Cc1ccccc1CNc1ccnc2cc(Cl)ccc12;;402.93;5.53;137660460;;;CHEMBL4099387;GENER;EPAM;25;0;"ph = 4, <a href=https://www.ebi.ac.uk/chembl/assay_report_card/CHEMBL4027134/  target=_blank>CHEMBL4027134</a>";;;;;;;;;-6.14;;;;;;;;;;;;"Joshi MC, Okombo J, Nsumiwa S, Ndove J, Taylor D, Wiesner L, Hunter R, Chibale K, Egan TJ.: 4-Aminoquinoline Antimalarials Containing a Benzylmethylpyridylmethylamine Group Are Active against Drug Resistant Plasmodium falciparum and Exhibit Oral Activity in Mice. J Med Chem, Volume 60 (24), 2017";ChEMBL
MM472357;MM472357;CN(Cc1ccccn1)Cc1ccccc1CNc1ccnc2cc(Cl)ccc12;;402.93;5.53;137660460;;;CHEMBL4099387;GENER;EPAM;25;0;"ph = 6.5, <a href=https://www.ebi.ac.uk/chembl/assay_report_card/CHEMBL4027135/  target=_blank>CHEMBL4027135</a>";;;;;;;;;-4.56;;;;;;;;;;;;"Joshi MC, Okombo J, Nsumiwa S, Ndove J, Taylor D, Wiesner L, Hunter R, Chibale K, Egan TJ.: 4-Aminoquinoline Antimalarials Containing a Benzylmethylpyridylmethylamine Group Are Active against Drug Resistant Plasmodium falciparum and Exhibit Oral Activity in Mice. J Med Chem, Volume 60 (24), 2017";ChEMBL
MM472355;MM472355;Cc1c(-c2ccc(C(F)(F)F)cc2)c(C#N)c2nc3ccccc3n2c1NCCN1CCC(O)C1;GXAXZNGISYYUHT-UHFFFAOYSA-N;479.51;4.83;137659534;;;CHEMBL4099549;GENER;EPAM;25;0;"ph = 6.5, <a href=https://www.ebi.ac.uk/chembl/assay_report_card/CHEMBL3996779/  target=_blank>CHEMBL3996779</a>";;;;;;;;;-3.9;;;;;;;;;;;;"Singh K, Okombo J, Brunschwig C, Ndubi F, Barnard L, Wilkinson C, Njogu PM, Njoroge M, Laing L, Machado M, Prudêncio M, Reader J, Botha M, Nondaba S, Birkholtz LM, Lauterbach S, Churchyard A, Coetzer TL, Burrows JN, Yeates C, Denti P, Wiesner L, Egan TJ, Wittlin S, Chibale K.: Antimalarial Pyrido[1,2-a]benzimidazoles: Lead Optimization, Parasite Life Cycle Stage Profile, Mechanistic Evaluation, Killing Kinetics, and in Vivo Oral Efficacy in a Mouse Model. J Med Chem, Volume 60 (4), 2017";ChEMBL
MM472141;MM472141;CC(C)C(=O)NCCS(=O)(=O)NC(=O)c1ccc(Nc2nc(NC3(c4ccc(Cl)cc4)CC3)nc(OCC(F)(F)F)n2)cc1;COCQMSWPGXJBIP-UHFFFAOYSA-N;656.09;4.14;90261149;;;CHEMBL4099607;GENER;EPAM;25;0;"ph = 7.4, <a href=https://www.ebi.ac.uk/chembl/assay_report_card/CHEMBL4004073/  target=_blank>CHEMBL4004073</a>";;;;;;;;;-5.89;;;;;;;;;;;;"Mull ES, Sun LQ, Zhao Q, Eggers B, Pokornowski K, Zhai G, Rajamani R, Jenkins S, Kramer M, Wang YK, Fang H, Tenney D, Baldick CJ, Cockett MI, Meanwell NA, Scola PM.: Functionalized triazines as potent HCV entry inhibitors. Bioorg Med Chem Lett, Volume 27 (4), 2017";ChEMBL
MM471434;MM471434;CC(=O)NC1C(N=C(N)N)C=C(C(=O)O)OC1C(O)C(O)Cn1cc(-c2ccc(-c3ccccc3)cc2)nn1;GGROOSBUFJNXJU-LBQOOEJDSA-N;535.56;0.06;137660481;;;CHEMBL4099818;GENER;EPAM;25;0;"ph = 7.4, <a href=https://www.ebi.ac.uk/chembl/assay_report_card/CHEMBL4059390/  target=_blank>CHEMBL4059390</a>";;;;;;;;;-7.4;;;;;;;;;;;;"Guo T, Dätwyler P, Demina E, Richards MR, Ge P, Zou C, Zheng R, Fougerat A, Pshezhetsky AV, Ernst B, Cairo CW.: Selective Inhibitors of Human Neuraminidase 3. J Med Chem, Volume 61 (5), 2018";ChEMBL
MM472129;MM472129;O=C(NS(=O)(=O)c1ccccc1)c1ccc(Nc2nc(NC3(c4ccc(Cl)cc4)CC3)nc(OCC(F)(F)F)n2)cc1;QDAHXJOCDHKYCA-UHFFFAOYSA-N;619.03;5.43;68189926;;;CHEMBL4100032;GENER;EPAM;25;0;"ph = 7.4, <a href=https://www.ebi.ac.uk/chembl/assay_report_card/CHEMBL4004073/  target=_blank>CHEMBL4004073</a>";;;;;;;;;-4.74;;;;;;;;;;;;"Mull ES, Sun LQ, Zhao Q, Eggers B, Pokornowski K, Zhai G, Rajamani R, Jenkins S, Kramer M, Wang YK, Fang H, Tenney D, Baldick CJ, Cockett MI, Meanwell NA, Scola PM.: Functionalized triazines as potent HCV entry inhibitors. Bioorg Med Chem Lett, Volume 27 (4), 2017";ChEMBL
MM472784;MM472784;CC1(c2ccc(C=CC(=O)O)cc2)c2ccc(O)cc2CCN1c1cccc(F)c1;UMFRQAXNRHZJGG-KPKJPENVSA-N;403.45;4.96;118184849;;;CHEMBL4100053;GENER;EPAM;25;0;"<a href=https://www.ebi.ac.uk/chembl/assay_report_card/CHEMBL4011153/  target=_blank>CHEMBL4011153</a>";;;;;;;;;-4.3;;;;;;;;;;;;"Burks HE, Abrams T, Kirby CA, Baird J, Fekete A, Hamann LG, Kim S, Lombardo F, Loo A, Lubicka D, Macchi K, McDonnell DP, Mishina Y, Norris JD, Nunez J, Saran C, Sun Y, Thomsen NM, Wang C, Wang J, Peukert S.: Discovery of an Acrylic Acid Based Tetrahydroisoquinoline as an Orally Bioavailable Selective Estrogen Receptor Degrader for ERα+ Breast Cancer. J Med Chem, Volume 60 (7), 2017";ChEMBL
MM472354;MM472354;CCNCCNc1c(F)c(-c2ccc(C(F)(F)F)cc2)c(C#N)c2nc3ccccc3n12;DBXUKLLNUJVPIN-UHFFFAOYSA-N;441.43;5.21;137661908;;;CHEMBL4100503;GENER;EPAM;25;0;"ph = 6.5, <a href=https://www.ebi.ac.uk/chembl/assay_report_card/CHEMBL3996779/  target=_blank>CHEMBL3996779</a>";;;;;;;;;-5.2;;;;;;;;;;;;"Singh K, Okombo J, Brunschwig C, Ndubi F, Barnard L, Wilkinson C, Njogu PM, Njoroge M, Laing L, Machado M, Prudêncio M, Reader J, Botha M, Nondaba S, Birkholtz LM, Lauterbach S, Churchyard A, Coetzer TL, Burrows JN, Yeates C, Denti P, Wiesner L, Egan TJ, Wittlin S, Chibale K.: Antimalarial Pyrido[1,2-a]benzimidazoles: Lead Optimization, Parasite Life Cycle Stage Profile, Mechanistic Evaluation, Killing Kinetics, and in Vivo Oral Efficacy in a Mouse Model. J Med Chem, Volume 60 (4), 2017";ChEMBL
MM472006;MM472006;NS(=O)(=O)c1ccc(Cc2c(-c3cccc(-c4ccccc4)c3)nn(-c3nc(C(=O)O)cs3)c2C2CC2)cc1;JXSFBKRZYZNXNV-UHFFFAOYSA-N;556.67;5.48;;;;;GENER;EPAM;25;0;"ph = 7.4, <a href=https://www.ebi.ac.uk/chembl/assay_report_card/CHEMBL4032350/  target=_blank>CHEMBL4032350</a>";;;;;;;;;-6;;;;;;;;;;;;"Rai G, Brimacombe KR, Mott BT, Urban DJ, Hu X, Yang SM, Lee TD, Cheff DM, Kouznetsova J, Benavides GA, Pohida K, Kuenstner EJ, Luci DK, Lukacs CM, Davies DR, Dranow DM, Zhu H, Sulikowski G, Moore WJ, Stott GM, Flint AJ, Hall MD, Darley-Usmar VM, Neckers LM, Dang CV, Waterson AG, Simeonov A, Jadhav A, Maloney DJ.: Discovery and Optimization of Potent, Cell-Active Pyrazole-Based Inhibitors of Lactate Dehydrogenase (LDH). J Med Chem, Volume 60 (22), 2017";ChEMBL
MM472436;MM472436;CC1=C(c2nc(-c3ccc(C#N)cc3)cs2)C(c2ccc(Br)nc2)NC(=O)N1;ZUBNLRDUMJNJHH-UHFFFAOYSA-N;452.34;4.62;71506054;;;CHEMBL4101094;GENER;EPAM;25;0;"ph = 7.2, <a href=https://www.ebi.ac.uk/chembl/assay_report_card/CHEMBL4043725/  target=_blank>CHEMBL4043725</a>";;;;;;;;;-7.82;;;;;;;;;;;;"Pagano N, Teriete P, Mattmann ME, Yang L, Snyder BA, Cai Z, Heil ML, Cosford NDP.: An integrated chemical biology approach reveals the mechanism of action of HIV replication inhibitors. Bioorg Med Chem, Volume 25 (23), 2017";ChEMBL
MM472775;MM472775;CNC(=O)C=Cc1ccc(C2(C)c3ccc(O)cc3CCN2c2ccc(F)cc2)cc1;OKYJZTJSOYPGON-LHHJGKSTSA-N;416.5;4.62;118166740;;;CHEMBL4101120;GENER;EPAM;25;0;"<a href=https://www.ebi.ac.uk/chembl/assay_report_card/CHEMBL4011153/  target=_blank>CHEMBL4011153</a>";;;;;;;;;-4.3;;;;;;;;;;;;"Burks HE, Abrams T, Kirby CA, Baird J, Fekete A, Hamann LG, Kim S, Lombardo F, Loo A, Lubicka D, Macchi K, McDonnell DP, Mishina Y, Norris JD, Nunez J, Saran C, Sun Y, Thomsen NM, Wang C, Wang J, Peukert S.: Discovery of an Acrylic Acid Based Tetrahydroisoquinoline as an Orally Bioavailable Selective Estrogen Receptor Degrader for ERα+ Breast Cancer. J Med Chem, Volume 60 (7), 2017";ChEMBL
MM472428;MM472428;CC1=C(c2nc(-c3ccc(C#N)cc3)cs2)C(c2cccc(O)c2)NC(=O)N1;AUPBYLRPPIUNRA-UHFFFAOYSA-N;388.45;4.17;71608044;;;CHEMBL4101364;GENER;EPAM;25;0;"ph = 7.2, <a href=https://www.ebi.ac.uk/chembl/assay_report_card/CHEMBL4043725/  target=_blank>CHEMBL4043725</a>";;;;;;;;;-7.84;;;;;;;;;;;;"Pagano N, Teriete P, Mattmann ME, Yang L, Snyder BA, Cai Z, Heil ML, Cosford NDP.: An integrated chemical biology approach reveals the mechanism of action of HIV replication inhibitors. Bioorg Med Chem, Volume 25 (23), 2017";ChEMBL
MM472184;MM472184;CNC(=O)c1cnc(Nc2ccc3[nH]ncc3c2)cc1NC(c1ccccc1)C(O)CO;HYRYSASVBDNXAO-IRLDBZIGSA-N;432.48;2.57;137659870;;;CHEMBL4101382;GENER;EPAM;25;0;"ph = 7.4, <a href=https://www.ebi.ac.uk/chembl/assay_report_card/CHEMBL4047626/  target=_blank>CHEMBL4047626</a>";;;;;;;;;-6.19;;;;;;;;;;;;"Bhide RS, Keon A, Weigelt C, Sack JS, Schmidt RJ, Lin S, Xiao HY, Spergel SH, Kempson J, Pitts WJ, Carman J, Poss MA.: Discovery and structure-based design of 4,6-diaminonicotinamides as potent and selective IRAK4 inhibitors. Bioorg Med Chem Lett, Volume 27 (21), 2017";ChEMBL
MM472174;MM472174;O=S(=O)(Nc1nccs1)c1cc(Cl)c(NCC2CCOC2)cc1F;;391.88;3.18;;;;CHEMBL4101414;GENER;EPAM;25;0;"ph = 5.5, <a href=https://www.ebi.ac.uk/chembl/assay_report_card/CHEMBL4046489/  target=_blank>CHEMBL4046489</a>";;;;;;;;;-4.4;;;;;;;;;;;;"Wu YJ, Guernon J, McClure A, Luo G, Rajamani R, Ng A, Easton A, Newton A, Bourin C, Parker D, Mosure K, Barnaby O, Soars MG, Knox RJ, Matchett M, Pieschl R, Herrington J, Chen P, Sivarao DV, Bristow LJ, Meanwell NA, Bronson J, Olson R, Thompson LA, Dzierba C.: Discovery of non-zwitterionic aryl sulfonamides as Na<sub>v</sub>1.7 inhibitors with efficacy in preclinical behavioral models and translational measures of nociceptive neuron activation. Bioorg Med Chem, Volume 25 (20), 2017";ChEMBL
MM472174;MM472174;O=S(=O)(Nc1nccs1)c1cc(Cl)c(NCC2CCOC2)cc1F;;391.88;3.18;;;;CHEMBL4101414;GENER;EPAM;25;0;"ph = 7.4, <a href=https://www.ebi.ac.uk/chembl/assay_report_card/CHEMBL4046490/  target=_blank>CHEMBL4046490</a>";;;;;;;;;-4.57;;;;;;;;;;;;"Wu YJ, Guernon J, McClure A, Luo G, Rajamani R, Ng A, Easton A, Newton A, Bourin C, Parker D, Mosure K, Barnaby O, Soars MG, Knox RJ, Matchett M, Pieschl R, Herrington J, Chen P, Sivarao DV, Bristow LJ, Meanwell NA, Bronson J, Olson R, Thompson LA, Dzierba C.: Discovery of non-zwitterionic aryl sulfonamides as Na<sub>v</sub>1.7 inhibitors with efficacy in preclinical behavioral models and translational measures of nociceptive neuron activation. Bioorg Med Chem, Volume 25 (20), 2017";ChEMBL
MM472785;MM472785;CC(C)c1ccc(N2CCc3cc(O)ccc3C2(C)c2ccc(C=CC(=O)O)cc2)cc1;HKXVKUOGCLJVEZ-GIDUJCDVSA-N;427.54;5.94;118166622;;;CHEMBL4101697;GENER;EPAM;25;0;"<a href=https://www.ebi.ac.uk/chembl/assay_report_card/CHEMBL4011153/  target=_blank>CHEMBL4011153</a>";;;;;;;;;-4.1;;;;;;;;;;;;"Burks HE, Abrams T, Kirby CA, Baird J, Fekete A, Hamann LG, Kim S, Lombardo F, Loo A, Lubicka D, Macchi K, McDonnell DP, Mishina Y, Norris JD, Nunez J, Saran C, Sun Y, Thomsen NM, Wang C, Wang J, Peukert S.: Discovery of an Acrylic Acid Based Tetrahydroisoquinoline as an Orally Bioavailable Selective Estrogen Receptor Degrader for ERα+ Breast Cancer. J Med Chem, Volume 60 (7), 2017";ChEMBL
MM473381;MM473381;Nc1noc2c(N3CCC(NC(=O)c4ccc(-c5cncnc5)cc4Cl)C3)ncc(Cl)c12;TUNLMVOWHTWZFQ-CYBMUJFWSA-N;470.32;3.58;118457021;;;CHEMBL4101793;GENER;EPAM;25;0;"<a href=https://www.ebi.ac.uk/chembl/assay_report_card/CHEMBL4018087/  target=_blank>CHEMBL4018087</a>";;;;;;;;;-5.03;;;;;;;;;;;;"Sakurada I, Endo T, Hikita K, Hirabayashi T, Hosaka Y, Kato Y, Maeda Y, Matsumoto S, Mizuno T, Nagasue H, Nishimura T, Shimada S, Shinozaki M, Taguchi K, Takeuchi K, Yokoyama T, Hruza A, Reichert P, Zhang T, Wood HB, Nakao K, Furusako S.: Discovery of novel aminobenzisoxazole derivatives as orally available factor IXa inhibitors. Bioorg Med Chem Lett, Volume 27 (11), 2017";ChEMBL
MM474268;MM474268;Cc1cc(OCCCc2c3n(c4c(-c5c(C)nn(C)c5C)c(Cl)ccc24)CCCN(c2ccc(C(=O)O)c4cccnc24)C3=O)cc(C)c1Cl;QEACFIZDFCDWRW-UHFFFAOYSA-N;710.66;8.89;118406985;;;CHEMBL4101866;GENER;EPAM;25;0;"<a href=https://www.ebi.ac.uk/chembl/assay_report_card/CHEMBL4023197/  target=_blank>CHEMBL4023197</a>";;;;;;;;;-3.91;;;;;;;;;;;;"Shaw S, Bian Z, Zhao B, Tarr JC, Veerasamy N, Jeon KO, Belmar J, Arnold AL, Fogarty SA, Perry E, Sensintaffar JL, Camper DV, Rossanese OW, Lee T, Olejniczak ET, Fesik SW.: Optimization of Potent and Selective Tricyclic Indole Diazepinone Myeloid Cell Leukemia-1 Inhibitors Using Structure-Based Design. J Med Chem, Volume 61 (6), 2018";ChEMBL
MM472124;MM472124;CN1CCc2c(cccc2Nc2cnn(C)c(=O)c2Cl)C1;YJJYUKCKKSVTAG-UHFFFAOYSA-N;304.78;2.17;131953422;;;CHEMBL4101945;GENER;EPAM;25;0;"ph = 7.4, <a href=https://www.ebi.ac.uk/chembl/assay_report_card/CHEMBL4003558/  target=_blank>CHEMBL4003558</a>";;;;;;;;;-4.42;;;;;;;;;;;;"Humphreys PG, Bamborough P, Chung CW, Craggs PD, Gordon L, Grandi P, Hayhow TG, Hussain J, Jones KL, Lindon M, Michon AM, Renaux JF, Suckling CJ, Tough DF, Prinjha RK.: Discovery of a Potent, Cell Penetrant, and Selective p300/CBP-Associated Factor (PCAF)/General Control Nonderepressible 5 (GCN5) Bromodomain Chemical Probe. J Med Chem, Volume 60 (2), 2017";ChEMBL
MM471723;MM471723;O=C(c1cccc(F)c1)N1CCc2oc(-c3ccc(F)cn3)nc2C1;GNTAXZMHSFRNIX-UHFFFAOYSA-N;341.32;3.21;74222036;;;CHEMBL4102181;GENER;EPAM;25;0;"ph = 7.4, <a href=https://www.ebi.ac.uk/chembl/assay_report_card/CHEMBL4046794/  target=_blank>CHEMBL4046794</a>";;;;;;;;;-4.5;;;;;;;;;;;;"Hirose W, Kato Y, Natsutani I, Takata M, Kitaichi M, Imai S, Hayashi S, Arai Y, Hoshino K, Yoshida K.: Synthesis and optimization of 4,5,6,7-tetrahydrooxazolo[4,5-c]pyridines as potent and orally-active metabotropic glutamate receptor 5 negative allosteric modulators. Bioorg Med Chem Lett, Volume 27 (18), 2017";ChEMBL
MM471733;MM471733;Cc1cc2c(cc1C)-c1occ(C)c1C(=O)C2=O;VCBCAXHKNPCVCB-UHFFFAOYSA-N;240.26;3.25;;;;;GENER;EPAM;25;0;"ph = 7.4, <a href=https://www.ebi.ac.uk/chembl/assay_report_card/CHEMBL4131170/  target=_blank>CHEMBL4131170</a>";;;;;;;;;-4.37;;;;;;;;;;;;"Zhang X, Bian J, Li X, Wu X, Dong Y, You Q.: 2-Substituted 3,7,8-trimethylnaphtho[1,2-b]furan-4,5-diones as specific L-shaped NQO1-mediated redox modulators for the treatment of non-small cell lung cancer. Eur J Med Chem, Volume 138, 2017";ChEMBL
MM474594;MM474594;Cc1cc(C)cc(NC(=O)Cn2cnc3ccccc3c2=O)c1;YZMIDTZJJQYTOU-UHFFFAOYSA-N;307.35;2.65;;;;;GENER;EPAM;25;0;"<a href=https://www.ebi.ac.uk/chembl/assay_report_card/CHEMBL4042140/  target=_blank>CHEMBL4042140</a>";;;;;;;;;-4.22;;;;;;;;;;;;"Pitta E, Balabon O, Rogacki MK, Gómez J, Cunningham F, Joosens J, Augustyns K, van der Veken P, Bates R.: Differential characterization using readily accessible NMR experiments of novel N- and O-alkylated quinolin-4-ol, 1,5-naphthyridin-4-ol and quinazolin-4-ol derivatives with antimycobacterial activity. Eur J Med Chem, Volume 125, 2017";ChEMBL
MM472132;MM472132;NCCS(=O)(=O)NC(=O)c1ccc(Nc2nc(NC3(c4ccc(Cl)cc4)CC3)nc(OCC(F)(F)F)n2)cc1;ZEDIZPBRVQFMQS-UHFFFAOYSA-N;586;3.33;68182868;;;CHEMBL4102564;GENER;EPAM;25;0;"ph = 7.4, <a href=https://www.ebi.ac.uk/chembl/assay_report_card/CHEMBL4004073/  target=_blank>CHEMBL4004073</a>";;;;;;;;;-4.82;;;;;;;;;;;;"Mull ES, Sun LQ, Zhao Q, Eggers B, Pokornowski K, Zhai G, Rajamani R, Jenkins S, Kramer M, Wang YK, Fang H, Tenney D, Baldick CJ, Cockett MI, Meanwell NA, Scola PM.: Functionalized triazines as potent HCV entry inhibitors. Bioorg Med Chem Lett, Volume 27 (4), 2017";ChEMBL
MM472177;MM472177;O=S(=O)(Nc1nccs1)c1cc(Cl)c(NCC2CCOCC2)cc1F;;405.9;3.57;;;;CHEMBL4102647;GENER;EPAM;25;0;"ph = 5.5, <a href=https://www.ebi.ac.uk/chembl/assay_report_card/CHEMBL4046489/  target=_blank>CHEMBL4046489</a>";;;;;;;;;-4.37;;;;;;;;;;;;"Wu YJ, Guernon J, McClure A, Luo G, Rajamani R, Ng A, Easton A, Newton A, Bourin C, Parker D, Mosure K, Barnaby O, Soars MG, Knox RJ, Matchett M, Pieschl R, Herrington J, Chen P, Sivarao DV, Bristow LJ, Meanwell NA, Bronson J, Olson R, Thompson LA, Dzierba C.: Discovery of non-zwitterionic aryl sulfonamides as Na<sub>v</sub>1.7 inhibitors with efficacy in preclinical behavioral models and translational measures of nociceptive neuron activation. Bioorg Med Chem, Volume 25 (20), 2017";ChEMBL
MM472177;MM472177;O=S(=O)(Nc1nccs1)c1cc(Cl)c(NCC2CCOCC2)cc1F;;405.9;3.57;;;;CHEMBL4102647;GENER;EPAM;25;0;"ph = 7.4, <a href=https://www.ebi.ac.uk/chembl/assay_report_card/CHEMBL4046490/  target=_blank>CHEMBL4046490</a>";;;;;;;;;-4.57;;;;;;;;;;;;"Wu YJ, Guernon J, McClure A, Luo G, Rajamani R, Ng A, Easton A, Newton A, Bourin C, Parker D, Mosure K, Barnaby O, Soars MG, Knox RJ, Matchett M, Pieschl R, Herrington J, Chen P, Sivarao DV, Bristow LJ, Meanwell NA, Bronson J, Olson R, Thompson LA, Dzierba C.: Discovery of non-zwitterionic aryl sulfonamides as Na<sub>v</sub>1.7 inhibitors with efficacy in preclinical behavioral models and translational measures of nociceptive neuron activation. Bioorg Med Chem, Volume 25 (20), 2017";ChEMBL
MM473394;MM473394;Cc1ccccc1-c1nc(CN2CCC(C(=O)NCCCN3C[C@H](C)C[C@H](C)C3)CC2)c(C)o1;MRHJNIMUABLZHR-OYRHEFFESA-N;466.67;4.65;;;;;GENER;EPAM;25;0;"<a href=https://www.ebi.ac.uk/chembl/assay_report_card/CHEMBL4039805/  target=_blank>CHEMBL4039805</a>";;;;;;;;;-3.31;;;;;;;;;;;;"He S, Li K, Lin B, Hu Z, Xiao J, Hu X, Wang AQ, Xu X, Ferrer M, Southall N, Zheng W, Aubé J, Schoenen FJ, Marugan JJ, Liang TJ, Frankowski KJ.: Development of an Aryloxazole Class of Hepatitis C Virus Inhibitors Targeting the Entry Stage of the Viral Replication Cycle. J Med Chem, Volume 60 (14), 2017";ChEMBL
MM471697;MM471697;Cn1cc(N=S2(=O)CCCCC2)cn1;KZDYIEXGNVLONA-UHFFFAOYSA-N;213.31;1.7;;;;;GENER;EPAM;25;0;"ph = 7.4, <a href=https://www.ebi.ac.uk/chembl/assay_report_card/CHEMBL3992821/  target=_blank>CHEMBL3992821</a>";;;;;;;;;-5.49;;;;;;;;;;;;"Frings M, Bolm C, Blum A, Gnamm C.: Sulfoximines from a Medicinal Chemist's Perspective: Physicochemical and in vitro Parameters Relevant for Drug Discovery. Eur J Med Chem, Volume 126, 2017";ChEMBL
MM473402;MM473402;Cc1ccccc1-c1nc(CN2CCC(C(=O)NCCN3CC(C)CC(C)C3)CC2)c(C)o1;ZHMMOUICWIIUEV-BGYRXZFFSA-N;452.64;4.26;70789918;;;CHEMBL4103491;GENER;EPAM;25;0;"<a href=https://www.ebi.ac.uk/chembl/assay_report_card/CHEMBL4039805/  target=_blank>CHEMBL4039805</a>";;;;;;;;;-3.15;;;;;;;;;;;;"He S, Li K, Lin B, Hu Z, Xiao J, Hu X, Wang AQ, Xu X, Ferrer M, Southall N, Zheng W, Aubé J, Schoenen FJ, Marugan JJ, Liang TJ, Frankowski KJ.: Development of an Aryloxazole Class of Hepatitis C Virus Inhibitors Targeting the Entry Stage of the Viral Replication Cycle. J Med Chem, Volume 60 (14), 2017";ChEMBL
MM472778;MM472778;CC1(c2ccc(C=Cc3cnc[nH]3)cc2)c2ccc(O)cc2CCN1c1ccc(F)cc1;UQIDNBSEVKFIRB-RUDMXATFSA-N;425.51;5.75;118184751;;;CHEMBL4103564;GENER;EPAM;25;0;"<a href=https://www.ebi.ac.uk/chembl/assay_report_card/CHEMBL4011153/  target=_blank>CHEMBL4011153</a>";;;;;;;;;-4.8;;;;;;;;;;;;"Burks HE, Abrams T, Kirby CA, Baird J, Fekete A, Hamann LG, Kim S, Lombardo F, Loo A, Lubicka D, Macchi K, McDonnell DP, Mishina Y, Norris JD, Nunez J, Saran C, Sun Y, Thomsen NM, Wang C, Wang J, Peukert S.: Discovery of an Acrylic Acid Based Tetrahydroisoquinoline as an Orally Bioavailable Selective Estrogen Receptor Degrader for ERα+ Breast Cancer. J Med Chem, Volume 60 (7), 2017";ChEMBL
MM472170;MM472170;O=c1[nH]c2ccc(Nc3cc(NCc4cccnc4)c([N+](=O)[O-])cc3Cl)cc2[nH]1;GCCSRVBRMNLGCT-UHFFFAOYSA-N;410.82;4.17;;;;;GENER;EPAM;25;+1,-1;"ph = 7.4, <a href=https://www.ebi.ac.uk/chembl/assay_report_card/CHEMBL4044892/  target=_blank>CHEMBL4044892</a>";;;;;;;;;-4.83;;;;;;;;;;;;"Yasui T, Yamamoto T, Sakai N, Asano K, Takai T, Yoshitomi Y, Davis M, Takagi T, Sakamoto K, Sogabe S, Kamada Y, Lane W, Snell G, Iwata M, Goto M, Inooka H, Sakamoto JI, Nakada Y, Imaeda Y.: Discovery of a novel B-cell lymphoma 6 (BCL6)-corepressor interaction inhibitor by utilizing structure-based drug design. Bioorg Med Chem, Volume 25 (17), 2017";ChEMBL
MM472361;MM472361;N#Cc1ccc2c(NCc3cccc(CNCc4ccccn4)c3)ccnc2c1;YIOOLNBRLCHUCG-UHFFFAOYSA-N;379.47;4.4;137658524;;;CHEMBL4103778;GENER;EPAM;25;0;"ph = 6.5, <a href=https://www.ebi.ac.uk/chembl/assay_report_card/CHEMBL4027135/  target=_blank>CHEMBL4027135</a>";;;;;;;;;-3.6;;;;;;;;;;;;"Joshi MC, Okombo J, Nsumiwa S, Ndove J, Taylor D, Wiesner L, Hunter R, Chibale K, Egan TJ.: 4-Aminoquinoline Antimalarials Containing a Benzylmethylpyridylmethylamine Group Are Active against Drug Resistant Plasmodium falciparum and Exhibit Oral Activity in Mice. J Med Chem, Volume 60 (24), 2017";ChEMBL
MM472127;MM472127;CCS(=O)(=O)NC(=O)c1ccc(Nc2nc(NC3(c4ccc(Cl)cc4)CC3)nc(OCC(F)(F)F)n2)cc1;VXXMBJGZZLTGHZ-UHFFFAOYSA-N;570.98;4.39;56838452;;;CHEMBL4104386;GENER;EPAM;25;0;"ph = 7.4, <a href=https://www.ebi.ac.uk/chembl/assay_report_card/CHEMBL4004073/  target=_blank>CHEMBL4004073</a>";;;;;;;;;-5.55;;;;;;;;;;;;"Mull ES, Sun LQ, Zhao Q, Eggers B, Pokornowski K, Zhai G, Rajamani R, Jenkins S, Kramer M, Wang YK, Fang H, Tenney D, Baldick CJ, Cockett MI, Meanwell NA, Scola PM.: Functionalized triazines as potent HCV entry inhibitors. Bioorg Med Chem Lett, Volume 27 (4), 2017";ChEMBL
MM472782;MM472782;CC1(c2ccc(C=Cc3nnc(CO)o3)cc2)c2ccc(O)cc2CCN1c1ccc(F)cc1;JAWIDLAPCJNQSQ-YIXHJXPBSA-N;457.51;4.9;118184720;;;CHEMBL4104400;GENER;EPAM;25;0;"<a href=https://www.ebi.ac.uk/chembl/assay_report_card/CHEMBL4011153/  target=_blank>CHEMBL4011153</a>";;;;;;;;;-4.6;;;;;;;;;;;;"Burks HE, Abrams T, Kirby CA, Baird J, Fekete A, Hamann LG, Kim S, Lombardo F, Loo A, Lubicka D, Macchi K, McDonnell DP, Mishina Y, Norris JD, Nunez J, Saran C, Sun Y, Thomsen NM, Wang C, Wang J, Peukert S.: Discovery of an Acrylic Acid Based Tetrahydroisoquinoline as an Orally Bioavailable Selective Estrogen Receptor Degrader for ERα+ Breast Cancer. J Med Chem, Volume 60 (7), 2017";ChEMBL
MM473359;MM473359;COc1ccc2nc(C)cc(OCC(=O)Nc3ccc4c(c3)CCC4)c2c1;CKUSRNPVQNVNBP-UHFFFAOYSA-N;362.43;4.06;;;;;GENER;EPAM;25;0;"<a href=https://www.ebi.ac.uk/chembl/assay_report_card/CHEMBL4003192/  target=_blank>CHEMBL4003192</a>";;;;;;;;;-4.88;;;;;;;;;;;;"Giacobbo BC, Pissinate K, Rodrigues-Junior V, Villela AD, Grams ES, Abbadi BL, Subtil FT, Sperotto N, Trindade RV, Back DF, Campos MM, Basso LA, Machado P, Santos DS.: New insights into the SAR and drug combination synergy of 2-(quinolin-4-yloxy)acetamides against Mycobacterium tuberculosis. Eur J Med Chem, Volume 126, 2017";ChEMBL
MM472172;MM472172;O=S(=O)(Nc1nccs1)c1cc(Cl)c(NC[C@]23CCO[C@H]2OCC3)cc1F;;433.91;3.3;;;;CHEMBL4104727;GENER;EPAM;25;0;"ph = 5.5, <a href=https://www.ebi.ac.uk/chembl/assay_report_card/CHEMBL4046489/  target=_blank>CHEMBL4046489</a>";;;;;;;;;-4.57;;;;;;;;;;;;"Wu YJ, Guernon J, McClure A, Luo G, Rajamani R, Ng A, Easton A, Newton A, Bourin C, Parker D, Mosure K, Barnaby O, Soars MG, Knox RJ, Matchett M, Pieschl R, Herrington J, Chen P, Sivarao DV, Bristow LJ, Meanwell NA, Bronson J, Olson R, Thompson LA, Dzierba C.: Discovery of non-zwitterionic aryl sulfonamides as Na<sub>v</sub>1.7 inhibitors with efficacy in preclinical behavioral models and translational measures of nociceptive neuron activation. Bioorg Med Chem, Volume 25 (20), 2017";ChEMBL
MM472172;MM472172;O=S(=O)(Nc1nccs1)c1cc(Cl)c(NC[C@]23CCO[C@H]2OCC3)cc1F;;433.91;3.3;;;;CHEMBL4104727;GENER;EPAM;25;0;"ph = 7.4, <a href=https://www.ebi.ac.uk/chembl/assay_report_card/CHEMBL4046490/  target=_blank>CHEMBL4046490</a>";;;;;;;;;-5.15;;;;;;;;;;;;"Wu YJ, Guernon J, McClure A, Luo G, Rajamani R, Ng A, Easton A, Newton A, Bourin C, Parker D, Mosure K, Barnaby O, Soars MG, Knox RJ, Matchett M, Pieschl R, Herrington J, Chen P, Sivarao DV, Bristow LJ, Meanwell NA, Bronson J, Olson R, Thompson LA, Dzierba C.: Discovery of non-zwitterionic aryl sulfonamides as Na<sub>v</sub>1.7 inhibitors with efficacy in preclinical behavioral models and translational measures of nociceptive neuron activation. Bioorg Med Chem, Volume 25 (20), 2017";ChEMBL
MM472349;MM472349;CCNCCNc1cc(-c2ccc(C(F)(F)F)cc2)c(C#N)c2nc3cccc(Cl)c3n12;;457.89;5.72;137656394;;;CHEMBL4105454;GENER;EPAM;25;0;"ph = 6.5, <a href=https://www.ebi.ac.uk/chembl/assay_report_card/CHEMBL3996779/  target=_blank>CHEMBL3996779</a>";;;;;;;;;-4;;;;;;;;;;;;"Singh K, Okombo J, Brunschwig C, Ndubi F, Barnard L, Wilkinson C, Njogu PM, Njoroge M, Laing L, Machado M, Prudêncio M, Reader J, Botha M, Nondaba S, Birkholtz LM, Lauterbach S, Churchyard A, Coetzer TL, Burrows JN, Yeates C, Denti P, Wiesner L, Egan TJ, Wittlin S, Chibale K.: Antimalarial Pyrido[1,2-a]benzimidazoles: Lead Optimization, Parasite Life Cycle Stage Profile, Mechanistic Evaluation, Killing Kinetics, and in Vivo Oral Efficacy in a Mouse Model. J Med Chem, Volume 60 (4), 2017";ChEMBL
MM472194;MM472194;c1ccc2c(c1)CNC(CN(CCCCN(Cc1ccncc1)Cc1ccncc1)C1CCCc3cccnc31)C2;;546.76;5.75;137657547;;;CHEMBL4105591;GENER;EPAM;25;0;"ph = 5.5, <a href=https://www.ebi.ac.uk/chembl/assay_report_card/CHEMBL4059169/  target=_blank>CHEMBL4059169</a>";;;;;;;;;-4.74;;;;;;;;;;;;"Miller EJ, Jecs E, Truax VM, Katzman BM, Tahirovic YA, Wilson RJ, Kuo KM, Kim MB, Nguyen HH, Saindane MT, Zhao H, Wang T, Sum CS, Cvijic ME, Schroeder GM, Wilson LJ, Liotta DC.: Discovery of Tetrahydroisoquinoline-Containing CXCR4 Antagonists with Improved in Vitro ADMET Properties. J Med Chem, Volume 61 (3), 2018";ChEMBL
MM472194;MM472194;c1ccc2c(c1)CNC(CN(CCCCN(Cc1ccncc1)Cc1ccncc1)C1CCCc3cccnc31)C2;;546.76;5.75;137657547;;;CHEMBL4105591;GENER;EPAM;25;0;"ph = 7.4, <a href=https://www.ebi.ac.uk/chembl/assay_report_card/CHEMBL4059168/  target=_blank>CHEMBL4059168</a>";;;;;;;;;-4.11;;;;;;;;;;;;"Miller EJ, Jecs E, Truax VM, Katzman BM, Tahirovic YA, Wilson RJ, Kuo KM, Kim MB, Nguyen HH, Saindane MT, Zhao H, Wang T, Sum CS, Cvijic ME, Schroeder GM, Wilson LJ, Liotta DC.: Discovery of Tetrahydroisoquinoline-Containing CXCR4 Antagonists with Improved in Vitro ADMET Properties. J Med Chem, Volume 61 (3), 2018";ChEMBL
MM473915;MM473915;ClC(Cn1ncc2c(NCc3ccccc3)ncnc21)c1ccccc1;;363.85;4.42;11222252;;;CHEMBL411043;GENER;EPAM;25;0;"<a href=https://www.ebi.ac.uk/chembl/assay_report_card/CHEMBL2073061/  target=_blank>CHEMBL2073061</a>";;;;;;;;;-4.95;;;;;;;;;;;;"Radi M, Evensen L, Dreassi E, Zamperini C, Caporicci M, Falchi F, Musumeci F, Schenone S, Lorens JB, Botta M.: A combined targeted/phenotypic approach for the identification of new antiangiogenics agents active on a zebrafish model: from in silico screening to cyclodextrin formulation. Bioorg Med Chem Lett, Volume 22 (17), 2012";ChEMBL
MM473915;MM473915;ClC(Cn1ncc2c(NCc3ccccc3)ncnc21)c1ccccc1;;363.85;4.42;11222252;;;CHEMBL411043;GENER;EPAM;25;0;"<a href=https://www.ebi.ac.uk/chembl/assay_report_card/CHEMBL4013498/  target=_blank>CHEMBL4013498</a>";;;;;;;;;-4.96;;;;;;;;;;;;"Vignaroli G, Iovenitti G, Zamperini C, Coniglio F, Calandro P, Molinari A, Fallacara AL, Sartucci A, Calgani A, Colecchia D, Mancini A, Festuccia C, Dreassi E, Valoti M, Musumeci F, Chiariello M, Angelucci A, Botta M, Schenone S.: Prodrugs of Pyrazolo[3,4-d]pyrimidines: From Library Synthesis to Evaluation as Potential Anticancer Agents in an Orthotopic Glioblastoma Model. J Med Chem, Volume 60 (14), 2017";ChEMBL
MM473822;MM473822;CC12CC34C=CC(=O)C(C)(CCC(=O)Nc5c(O)ccc(C(=O)O)c5O)C3C(CC1C4)O2;CSOMAHTTWTVBFL-OFBLZTNGSA-N;441.48;3.23;6857724;;;CHEMBL411278;GENER;EPAM;25;0;"<a href=https://www.ebi.ac.uk/chembl/assay_report_card/CHEMBL3997472/  target=_blank>CHEMBL3997472</a>";;;;;;;;;-6.89;;;;;;;;;;;;"Dong LB, Rudolf JD, Lin L, Ruiz C, Cameron MD, Shen B.: In vivo instability of platensimycin and platencin: Synthesis and biological evaluation of urea- and carbamate-platensimycin. Bioorg Med Chem, Volume 25 (6), 2017";ChEMBL
MM471726;MM471726;O=C(O)CNC(=O)c1ncc(-c2cn(CCCc3ccc(Cl)cc3)nn2)cc1O;RODNKCMKPZCZKG-UHFFFAOYSA-N;415.84;2.15;138319689;;;CHEMBL4126434;GENER;EPAM;25;0;"ph = 7.4, <a href=https://www.ebi.ac.uk/chembl/assay_report_card/CHEMBL4124467/  target=_blank>CHEMBL4124467</a>";;;;;;;;;-4.94;;;;;;;;;;;;"Wu Y, Jiang Z, Li Z, Gu J, You Q, Zhang X.: Click Chemistry-Based Discovery of [3-Hydroxy-5-(1 H-1,2,3-triazol-4-yl)picolinoyl]glycines as Orally Active Hypoxia-Inducing Factor Prolyl Hydroxylase Inhibitors with Favorable Safety Profiles for the Treatment of Anemia. J Med Chem, Volume 61 (12), 2018";ChEMBL
MM473463;MM473463;CC1(C)c2cccc(C(=O)NO)c2CN1c1cnc(C(F)(F)F)cn1;XCLPBILTRRWOIL-UHFFFAOYSA-N;352.32;2.87;134492522;;;CHEMBL4126661;GENER;EPAM;25;0;"<a href=https://www.ebi.ac.uk/chembl/assay_report_card/CHEMBL4123083/  target=_blank>CHEMBL4123083</a>";;;;;;;;;-4.89;;;;;;;;;;;;"Martin MW, Lee JY, Lancia DR, Ng PY, Han B, Thomason JR, Lynes MS, Marshall CG, Conti C, Collis A, Morales MA, Doshi K, Rudnitskaya A, Yao L, Zheng X.: Discovery of novel N-hydroxy-2-arylisoindoline-4-carboxamides as potent and selective inhibitors of HDAC11. Bioorg Med Chem Lett, Volume 28 (12), 2018";ChEMBL
MM473456;MM473456;CC1(C)c2cccc(C(=O)NO)c2CN1c1nc2ccc(C(F)(F)F)cc2[nH]1;ASSXNRYAUYXUGB-UHFFFAOYSA-N;390.37;3.96;134492521;;;CHEMBL4127020;GENER;EPAM;25;0;"<a href=https://www.ebi.ac.uk/chembl/assay_report_card/CHEMBL4123083/  target=_blank>CHEMBL4123083</a>";;;;;;;;;-7;;;;;;;;;;;;"Martin MW, Lee JY, Lancia DR, Ng PY, Han B, Thomason JR, Lynes MS, Marshall CG, Conti C, Collis A, Morales MA, Doshi K, Rudnitskaya A, Yao L, Zheng X.: Discovery of novel N-hydroxy-2-arylisoindoline-4-carboxamides as potent and selective inhibitors of HDAC11. Bioorg Med Chem Lett, Volume 28 (12), 2018";ChEMBL
MM471511;MM471511;CCN(CC)CCCC(C)Nc1ccnc2cc(Oc3ccccc3)ccc12;;377.53;5.95;224742;;;CHEMBL180671;GENER;EPAM;25;0;"ph = 5, <a href=https://www.ebi.ac.uk/chembl/assay_report_card/CHEMBL1103811/  target=_blank>CHEMBL1103811</a>";;;;;;;;;-5.4;;;;;;;;;;;;"Ray S, Madrid PB, Catz P, LeValley SE, Furniss MJ, Rausch LL, Guy RK, DeRisi JL, Iyer LV, Green CE, Mirsalis JC.: Development of a new generation of 4-aminoquinoline antimalarial compounds using predictive pharmacokinetic and toxicology models. J Med Chem, Volume 53 (9), 2010";ChEMBL
MM471511;MM471511;CCN(CC)CCCC(C)Nc1ccnc2cc(Oc3ccccc3)ccc12;;377.53;5.95;224742;;;CHEMBL180671;GENER;EPAM;25;0;"ph = 6.2, <a href=https://www.ebi.ac.uk/chembl/assay_report_card/CHEMBL1103810/  target=_blank>CHEMBL1103810</a>";;;;;;;;;-3.9;;;;;;;;;;;;"Ray S, Madrid PB, Catz P, LeValley SE, Furniss MJ, Rausch LL, Guy RK, DeRisi JL, Iyer LV, Green CE, Mirsalis JC.: Development of a new generation of 4-aminoquinoline antimalarial compounds using predictive pharmacokinetic and toxicology models. J Med Chem, Volume 53 (9), 2010";ChEMBL
MM472199;MM472199;COCCCOc1nc(C(C)(C)C)ncc1C(=O)N(CC(C)C)C1CNCC(C(=O)N2CCOCC2)C1;YIIUYJDPMKOTIL-RTWAWAEBSA-N;519.69;2.12;145963621;;;CHEMBL4127516;GENER;EPAM;25;0;"ph = 7.4, <a href=https://www.ebi.ac.uk/chembl/assay_report_card/CHEMBL4122886/  target=_blank>CHEMBL4122886</a>";;;;;;;;;-4.57;;;;;;;;;;;;"Tokuhara H, Imaeda Y, Fukase Y, Iwanaga K, Taya N, Watanabe K, Kanagawa R, Matsuda K, Kajimoto Y, Kusumoto K, Kondo M, Snell G, Behnke CA, Kuroita T.: Discovery of benzimidazole derivatives as orally active renin inhibitors: Optimization of 3,5-disubstituted piperidine to improve pharmacokinetic profile. Bioorg Med Chem, Volume 26 (12), 2018";ChEMBL
MM471511;MM471511;CCN(CC)CCCC(C)Nc1ccnc2cc(Oc3ccccc3)ccc12;;377.53;5.95;224742;;;CHEMBL180671;GENER;EPAM;25;0;"ph = 7.4, <a href=https://www.ebi.ac.uk/chembl/assay_report_card/CHEMBL1103809/  target=_blank>CHEMBL1103809</a>";;;;;;;;;-2.73;;;;;;;;;;;;"Ray S, Madrid PB, Catz P, LeValley SE, Furniss MJ, Rausch LL, Guy RK, DeRisi JL, Iyer LV, Green CE, Mirsalis JC.: Development of a new generation of 4-aminoquinoline antimalarial compounds using predictive pharmacokinetic and toxicology models. J Med Chem, Volume 53 (9), 2010";ChEMBL
MM473460;MM473460;CC1(C)c2cccc(C(=O)NO)c2CN1c1ccc(C(F)(F)F)nc1;IAFXYBQUVZBTAG-UHFFFAOYSA-N;351.33;3.47;145961289;;;CHEMBL4127735;GENER;EPAM;25;0;"<a href=https://www.ebi.ac.uk/chembl/assay_report_card/CHEMBL4123083/  target=_blank>CHEMBL4123083</a>";;;;;;;;;-5.1;;;;;;;;;;;;"Martin MW, Lee JY, Lancia DR, Ng PY, Han B, Thomason JR, Lynes MS, Marshall CG, Conti C, Collis A, Morales MA, Doshi K, Rudnitskaya A, Yao L, Zheng X.: Discovery of novel N-hydroxy-2-arylisoindoline-4-carboxamides as potent and selective inhibitors of HDAC11. Bioorg Med Chem Lett, Volume 28 (12), 2018";ChEMBL
MM473461;MM473461;CC1(C)c2cccc(C(=O)NO)c2CN1c1ncc(C(F)(F)F)cn1;BDILQALLYCHDBI-UHFFFAOYSA-N;352.32;2.87;145960671;;;CHEMBL4127894;GENER;EPAM;25;0;"<a href=https://www.ebi.ac.uk/chembl/assay_report_card/CHEMBL4123083/  target=_blank>CHEMBL4123083</a>";;;;;;;;;-4.74;;;;;;;;;;;;"Martin MW, Lee JY, Lancia DR, Ng PY, Han B, Thomason JR, Lynes MS, Marshall CG, Conti C, Collis A, Morales MA, Doshi K, Rudnitskaya A, Yao L, Zheng X.: Discovery of novel N-hydroxy-2-arylisoindoline-4-carboxamides as potent and selective inhibitors of HDAC11. Bioorg Med Chem Lett, Volume 28 (12), 2018";ChEMBL
MM473458;MM473458;CC1(C)c2cccc(C(=O)NO)c2CN1c1nc2ncccc2o1;PLKUOGQAYYNHLT-UHFFFAOYSA-N;324.34;2.6;145962427;;;CHEMBL4128972;GENER;EPAM;25;0;"<a href=https://www.ebi.ac.uk/chembl/assay_report_card/CHEMBL4123083/  target=_blank>CHEMBL4123083</a>";;;;;;;;;-6.15;;;;;;;;;;;;"Martin MW, Lee JY, Lancia DR, Ng PY, Han B, Thomason JR, Lynes MS, Marshall CG, Conti C, Collis A, Morales MA, Doshi K, Rudnitskaya A, Yao L, Zheng X.: Discovery of novel N-hydroxy-2-arylisoindoline-4-carboxamides as potent and selective inhibitors of HDAC11. Bioorg Med Chem Lett, Volume 28 (12), 2018";ChEMBL
MM473459;MM473459;CC1(C)c2cccc(C(=O)NO)c2CN1c1ccc(C(F)(F)F)cn1;LKTXDGRWJDTGPL-UHFFFAOYSA-N;351.33;3.47;145962011;;;CHEMBL4129134;GENER;EPAM;25;0;"<a href=https://www.ebi.ac.uk/chembl/assay_report_card/CHEMBL4123083/  target=_blank>CHEMBL4123083</a>";;;;;;;;;-4.92;;;;;;;;;;;;"Martin MW, Lee JY, Lancia DR, Ng PY, Han B, Thomason JR, Lynes MS, Marshall CG, Conti C, Collis A, Morales MA, Doshi K, Rudnitskaya A, Yao L, Zheng X.: Discovery of novel N-hydroxy-2-arylisoindoline-4-carboxamides as potent and selective inhibitors of HDAC11. Bioorg Med Chem Lett, Volume 28 (12), 2018";ChEMBL
MM473462;MM473462;CC1(C)c2cccc(C(N)=O)c2CN1c1cnc(C(F)(F)F)cn1;WTZJBEDUYUCGGN-UHFFFAOYSA-N;336.32;2.85;145960971;;;CHEMBL4129930;GENER;EPAM;25;0;"<a href=https://www.ebi.ac.uk/chembl/assay_report_card/CHEMBL4123083/  target=_blank>CHEMBL4123083</a>";;;;;;;;;-4.77;;;;;;;;;;;;"Martin MW, Lee JY, Lancia DR, Ng PY, Han B, Thomason JR, Lynes MS, Marshall CG, Conti C, Collis A, Morales MA, Doshi K, Rudnitskaya A, Yao L, Zheng X.: Discovery of novel N-hydroxy-2-arylisoindoline-4-carboxamides as potent and selective inhibitors of HDAC11. Bioorg Med Chem Lett, Volume 28 (12), 2018";ChEMBL
MM472803;MM472803;Nc1cccnc1N1CCC(C(=O)Nc2ccc(-n3nccn3)c(Cl)c2)CC1;DECWMEUVVFELTP-UHFFFAOYSA-N;397.87;2.75;145963310;;;CHEMBL4130251;GENER;EPAM;25;0;"<a href=https://www.ebi.ac.uk/chembl/assay_report_card/CHEMBL4122933/  target=_blank>CHEMBL4122933</a>";;;;;;;;;-4.4;;;;;;;;;;;;"Schlapbach A, Revesz L, Pissot Soldermann C, Zoller T, Régnier CH, Bornancin F, Radimerski T, Blank J, Schuffenhauer A, Renatus M, Erbel P, Melkko S, Heng R, Simic O, Endres R, Wartmann M, Quancard J.: N-aryl-piperidine-4-carboxamides as a novel class of potent inhibitors of MALT1 proteolytic activity. Bioorg Med Chem Lett, Volume 28 (12), 2018";ChEMBL
MM473457;MM473457;CC1(C)c2cccc(C(=O)NO)c2CN1c1nc2cc(C(F)(F)F)ccc2o1;ONXUVVDDBCZNTM-UHFFFAOYSA-N;391.35;4.22;145961194;;;CHEMBL4130288;GENER;EPAM;25;0;"<a href=https://www.ebi.ac.uk/chembl/assay_report_card/CHEMBL4123083/  target=_blank>CHEMBL4123083</a>";;;;;;;;;-5.15;;;;;;;;;;;;"Martin MW, Lee JY, Lancia DR, Ng PY, Han B, Thomason JR, Lynes MS, Marshall CG, Conti C, Collis A, Morales MA, Doshi K, Rudnitskaya A, Yao L, Zheng X.: Discovery of novel N-hydroxy-2-arylisoindoline-4-carboxamides as potent and selective inhibitors of HDAC11. Bioorg Med Chem Lett, Volume 28 (12), 2018";ChEMBL
MM473468;MM473468;CS(=O)(=O)CCCn1c(Cn2nc(S(C)(=O)=O)c3ccccc32)nc2cc(Cl)ccc21;JVMZBPJCKHAIMJ-UHFFFAOYSA-N;481;2.93;;;;;GENER;EPAM;25;0;"<a href=https://www.ebi.ac.uk/chembl/assay_report_card/CHEMBL4132438/  target=_blank>CHEMBL4132438</a>";;;;;;;;;-5.56;;;;;;;;;;;;"Feng S, Li C, Chen D, Zheng X, Yun H, Gao L, Shen HC.: Discovery of methylsulfonyl indazoles as potent and orally active respiratory syncytial Virus(RSV) fusion inhibitors. Eur J Med Chem, Volume 138, 2017";ChEMBL
MM472486;MM472486;CN(CC1Cc2c(cccc2N2CCN(Cc3ccccn3)CC2)CN1)C1CCCc2cccnc21;LBZXHERSMUUNEG-UHSQPCAPSA-N;482.68;3.82;145957599;;;CHEMBL4159234;GENER;EPAM;25;0;"ph = 5.5, <a href=https://www.ebi.ac.uk/chembl/assay_report_card/CHEMBL4156819/  target=_blank>CHEMBL4156819</a>";;;;;;;;;-5.09;;;;;;;;;;;;"Nguyen HH, Kim MB, Wilson RJ, Butch CJ, Kuo KM, Miller EJ, Tahirovic YA, Jecs E, Truax VM, Wang T, Sum CS, Cvijic ME, Schroeder GM, Wilson LJ, Liotta DC.: Design, Synthesis, and Pharmacological Evaluation of Second-Generation Tetrahydroisoquinoline-Based CXCR4 Antagonists with Favorable ADME Properties. J Med Chem, Volume 61 (16), 2018";ChEMBL
MM471736;MM471736;Cc1cc(NCCN(C)C)nc2ccc(NC(=O)c3ccc(Cl)c(Cl)c3)cc12;IJOZBPDREPMYIP-UHFFFAOYSA-N;417.34;5.08;;;;;GENER;EPAM;25;0;"ph = 7.4, <a href=https://www.ebi.ac.uk/chembl/assay_report_card/CHEMBL4134985/  target=_blank>CHEMBL4134985</a>";;;;;;;;;-5.5;;;;;;;;;;;;"Jiang F, Guo AP, Xu JC, Wang HJ, Mo XF, You QD, Xu XL.: Identification and optimization of novel 6-acylamino-2-aminoquinolines as potent Hsp90 C-terminal inhibitors. Eur J Med Chem, Volume 141, 2017";ChEMBL
MM474624;MM474624;CC(=CCN(CC1Cc2ccccc2CN1)C1CCCc2cccnc21)CN;;376.55;3.38;145958111;;;CHEMBL4159607;GENER;EPAM;25;0;"<a href=https://www.ebi.ac.uk/chembl/assay_report_card/CHEMBL4144849/  target=_blank>CHEMBL4144849</a>";;;;;;;;;-5.96;;;;;;;;;;;;"Jecs E, Miller EJ, Wilson RJ, Nguyen HH, Tahirovic YA, Katzman BM, Truax VM, Kim MB, Kuo KM, Wang T, Sum CS, Cvijic ME, Schroeder GM, Wilson LJ, Liotta DC.: Synthesis of Novel Tetrahydroisoquinoline CXCR4 Antagonists with Rigidified Side-Chains. ACS Med Chem Lett, Volume 9 (2), 2018";ChEMBL
MM474624;MM474624;CC(=CCN(CC1Cc2ccccc2CN1)C1CCCc2cccnc21)CN;;376.55;3.38;145958111;;;CHEMBL4159607;GENER;EPAM;25;0;"<a href=https://www.ebi.ac.uk/chembl/assay_report_card/CHEMBL4144850/  target=_blank>CHEMBL4144850</a>";;;;;;;;;-6.4;;;;;;;;;;;;"Jecs E, Miller EJ, Wilson RJ, Nguyen HH, Tahirovic YA, Katzman BM, Truax VM, Kim MB, Kuo KM, Wang T, Sum CS, Cvijic ME, Schroeder GM, Wilson LJ, Liotta DC.: Synthesis of Novel Tetrahydroisoquinoline CXCR4 Antagonists with Rigidified Side-Chains. ACS Med Chem Lett, Volume 9 (2), 2018";ChEMBL
MM474314;MM474314;Cn1c(COc2cccc(C(=O)O)c2)nc2ccc(Oc3ccccn3)cc21;FEKVOIYCAPBRPC-UHFFFAOYSA-N;375.38;4.04;145959379;;;CHEMBL4159720;GENER;EPAM;25;0;"<a href=https://www.ebi.ac.uk/chembl/assay_report_card/CHEMBL4157977/  target=_blank>CHEMBL4157977</a>";;;;;;;;;-5.66;;;;;;;;;;;;"Shinozuka T, Tsukada T, Fujii K, Tokumaru E, Shimada K, Onishi Y, Matsui Y, Wakimoto S, Kuroha M, Ogata T, Araki K, Ohsumi J, Sawamura R, Watanabe N, Yamamoto H, Fujimoto K, Tani Y, Mori M, Tanaka J.: Discovery of DS-6930, a potent selective PPARγ modulator. Part II: Lead optimization. Bioorg Med Chem, Volume 26 (18), 2018";ChEMBL
MM474306;MM474306;Cc1cc(C)cc(Oc2ccc3nc(COc4cccc(C(=O)O)c4)n(C)c3n2)c1;CUMFGWIRHJJSSZ-UHFFFAOYSA-N;403.44;4.65;68661986;;;CHEMBL4159849;GENER;EPAM;25;0;"<a href=https://www.ebi.ac.uk/chembl/assay_report_card/CHEMBL4157977/  target=_blank>CHEMBL4157977</a>";;;;;;;;;-4.76;;;;;;;;;;;;"Shinozuka T, Tsukada T, Fujii K, Tokumaru E, Shimada K, Onishi Y, Matsui Y, Wakimoto S, Kuroha M, Ogata T, Araki K, Ohsumi J, Sawamura R, Watanabe N, Yamamoto H, Fujimoto K, Tani Y, Mori M, Tanaka J.: Discovery of DS-6930, a potent selective PPARγ modulator. Part II: Lead optimization. Bioorg Med Chem, Volume 26 (18), 2018";ChEMBL
MM474614;MM474614;CCc1ccc(-c2cc(NC3CCN(C)CC3)c3cc(OC)c(OCCCN4CCCC4)cc3n2)o1;;492.66;5.44;118613646;;;CHEMBL4160008;GENER;EPAM;25;0;"<a href=https://www.ebi.ac.uk/chembl/assay_report_card/CHEMBL4195577/  target=_blank>CHEMBL4195577</a>";;;;;;;;;-5.62;;;;;;;;;;;;"Rabal O, Sánchez-Arias JA, San José-Enériz E, Agirre X, de Miguel I, Garate L, Miranda E, Sáez E, Roa S, Martínez-Climent JA, Liu Y, Wu W, Xu M, Prosper F, Oyarzabal J.: Detailed Exploration around 4-Aminoquinolines Chemical Space to Navigate the Lysine Methyltransferase G9a and DNA Methyltransferase Biological Spaces. J Med Chem, Volume 61 (15), 2018";ChEMBL
MM474321;MM474321;Cc1ccc2nc(N3CCCc4ccc(F)cc4C3)cc(NCCO)c2c1;GVLXAEVMZNYKHZ-UHFFFAOYSA-N;365.45;4.04;145956387;;;CHEMBL4160231;GENER;EPAM;25;0;"<a href=https://www.ebi.ac.uk/chembl/assay_report_card/CHEMBL4158586/  target=_blank>CHEMBL4158586</a>";;;;;;;;;-5.82;;;;;;;;;;;;"Zheng X, Liang C, Wang L, Wang B, Liu Y, Feng S, Wu JZ, Gao L, Feng L, Chen L, Guo T, Shen HC, Yun H.: Discovery of Benzoazepinequinoline (BAQ) Derivatives as Novel, Potent, Orally Bioavailable Respiratory Syncytial Virus Fusion Inhibitors. J Med Chem, Volume 61 (22), 2018";ChEMBL
MM474631;MM474631;NC(=O)NCC=CCN(CC1Cc2ccccc2CN1)C1CCCc2cccnc21;;405.55;2.7;145959135;;;CHEMBL4160401;GENER;EPAM;25;0;"<a href=https://www.ebi.ac.uk/chembl/assay_report_card/CHEMBL4144849/  target=_blank>CHEMBL4144849</a>";;;;;;;;;-4.96;;;;;;;;;;;;"Jecs E, Miller EJ, Wilson RJ, Nguyen HH, Tahirovic YA, Katzman BM, Truax VM, Kim MB, Kuo KM, Wang T, Sum CS, Cvijic ME, Schroeder GM, Wilson LJ, Liotta DC.: Synthesis of Novel Tetrahydroisoquinoline CXCR4 Antagonists with Rigidified Side-Chains. ACS Med Chem Lett, Volume 9 (2), 2018";ChEMBL
MM474631;MM474631;NC(=O)NCC=CCN(CC1Cc2ccccc2CN1)C1CCCc2cccnc21;;405.55;2.7;145959135;;;CHEMBL4160401;GENER;EPAM;25;0;"<a href=https://www.ebi.ac.uk/chembl/assay_report_card/CHEMBL4144850/  target=_blank>CHEMBL4144850</a>";;;;;;;;;-5.89;;;;;;;;;;;;"Jecs E, Miller EJ, Wilson RJ, Nguyen HH, Tahirovic YA, Katzman BM, Truax VM, Kim MB, Kuo KM, Wang T, Sum CS, Cvijic ME, Schroeder GM, Wilson LJ, Liotta DC.: Synthesis of Novel Tetrahydroisoquinoline CXCR4 Antagonists with Rigidified Side-Chains. ACS Med Chem Lett, Volume 9 (2), 2018";ChEMBL
MM472244;MM472244;CC1CN(c2cccc3c2CC(CN(C)C2CCCc4cccnc42)NC3)CC(C)N1;JHHVTZUPBAYGDQ-ZHJWVTAZSA-N;419.62;3.29;145959142;;;CHEMBL4160496;GENER;EPAM;25;0;"ph = 7.4, <a href=https://www.ebi.ac.uk/chembl/assay_report_card/CHEMBL4156818/  target=_blank>CHEMBL4156818</a>";;;;;;;;;-5.41;;;;;;;;;;;;"Nguyen HH, Kim MB, Wilson RJ, Butch CJ, Kuo KM, Miller EJ, Tahirovic YA, Jecs E, Truax VM, Wang T, Sum CS, Cvijic ME, Schroeder GM, Wilson LJ, Liotta DC.: Design, Synthesis, and Pharmacological Evaluation of Second-Generation Tetrahydroisoquinoline-Based CXCR4 Antagonists with Favorable ADME Properties. J Med Chem, Volume 61 (16), 2018";ChEMBL
MM474637;MM474637;Cn1cc(-c2ccc(N(C(=O)NCc3ccccc3)C3CCC(Nc4ccc(C#N)cn4)CC3)cc2)ccc1=O;HDJBGURZVALLMD-KWQFAZJVSA-N;532.65;5.46;134813906;;;CHEMBL4160662;GENER;EPAM;25;0;"<a href=https://www.ebi.ac.uk/chembl/assay_report_card/CHEMBL4151503/  target=_blank>CHEMBL4151503</a>";;;;;;;;;-4.56;;;;;;;;;;;;"Ito M, Tanaka T, Toita A, Uchiyama N, Kokubo H, Morishita N, Klein MG, Zou H, Murakami M, Kondo M, Sameshima T, Araki S, Endo S, Kawamoto T, Morin GB, Aparicio SA, Nakanishi A, Maezaki H, Imaeda Y.: Discovery of 3-Benzyl-1-( trans-4-((5-cyanopyridin-2-yl)amino)cyclohexyl)-1-arylurea Derivatives as Novel and Selective Cyclin-Dependent Kinase 12 (CDK12) Inhibitors. J Med Chem, Volume 61 (17), 2018";ChEMBL
MM473466;MM473466;CS(=O)(=O)CCCn1c(Cn2cc(S(C)(=O)=O)c3ccccc32)nc2cc(Cl)ccc21;PXXRWCSUEXLSQD-UHFFFAOYSA-N;480.01;3.53;;;;;GENER;EPAM;25;0;"<a href=https://www.ebi.ac.uk/chembl/assay_report_card/CHEMBL4132438/  target=_blank>CHEMBL4132438</a>";;;;;;;;;-5.81;;;;;;;;;;;;"Feng S, Li C, Chen D, Zheng X, Yun H, Gao L, Shen HC.: Discovery of methylsulfonyl indazoles as potent and orally active respiratory syncytial Virus(RSV) fusion inhibitors. Eur J Med Chem, Volume 138, 2017";ChEMBL
MM471730;MM471730;Cc1cc2c(cc1C)-c1oc(CN3CCN(c4ccc(F)cc4)CC3)c(C)c1C(=O)C2=O;PXYCJEPIYXOULK-UHFFFAOYSA-N;432.5;4.71;;;;;GENER;EPAM;25;0;"ph = 7.4, <a href=https://www.ebi.ac.uk/chembl/assay_report_card/CHEMBL4131170/  target=_blank>CHEMBL4131170</a>";;;;;;;;;-4.55;;;;;;;;;;;;"Zhang X, Bian J, Li X, Wu X, Dong Y, You Q.: 2-Substituted 3,7,8-trimethylnaphtho[1,2-b]furan-4,5-diones as specific L-shaped NQO1-mediated redox modulators for the treatment of non-small cell lung cancer. Eur J Med Chem, Volume 138, 2017";ChEMBL
MM474301;MM474301;Cn1c(COc2cccc(C(=O)O)c2)nc2ccc(Oc3ccc(Cl)c(F)c3)nc21;SVZOKVCQNVFKPF-UHFFFAOYSA-N;427.82;4.83;145960168;;;CHEMBL4161332;GENER;EPAM;25;0;"<a href=https://www.ebi.ac.uk/chembl/assay_report_card/CHEMBL4157977/  target=_blank>CHEMBL4157977</a>";;;;;;;;;-4.59;;;;;;;;;;;;"Shinozuka T, Tsukada T, Fujii K, Tokumaru E, Shimada K, Onishi Y, Matsui Y, Wakimoto S, Kuroha M, Ogata T, Araki K, Ohsumi J, Sawamura R, Watanabe N, Yamamoto H, Fujimoto K, Tani Y, Mori M, Tanaka J.: Discovery of DS-6930, a potent selective PPARγ modulator. Part II: Lead optimization. Bioorg Med Chem, Volume 26 (18), 2018";ChEMBL
MM474628;MM474628;"C/C(CN)=C(\F)CN(C[C@H]1Cc2ccccc2CN1)[C@H]1CCCc2cccnc21";;394.54;3.68;;;;CHEMBL4161528;GENER;EPAM;25;0;"<a href=https://www.ebi.ac.uk/chembl/assay_report_card/CHEMBL4144849/  target=_blank>CHEMBL4144849</a>";;;;;;;;;-4.31;;;;;;;;;;;;"Jecs E, Miller EJ, Wilson RJ, Nguyen HH, Tahirovic YA, Katzman BM, Truax VM, Kim MB, Kuo KM, Wang T, Sum CS, Cvijic ME, Schroeder GM, Wilson LJ, Liotta DC.: Synthesis of Novel Tetrahydroisoquinoline CXCR4 Antagonists with Rigidified Side-Chains. ACS Med Chem Lett, Volume 9 (2), 2018";ChEMBL
MM474628;MM474628;"C/C(CN)=C(\F)CN(C[C@H]1Cc2ccccc2CN1)[C@H]1CCCc2cccnc21";;394.54;3.68;;;;CHEMBL4161528;GENER;EPAM;25;0;"<a href=https://www.ebi.ac.uk/chembl/assay_report_card/CHEMBL4144850/  target=_blank>CHEMBL4144850</a>";;;;;;;;;-5.3;;;;;;;;;;;;"Jecs E, Miller EJ, Wilson RJ, Nguyen HH, Tahirovic YA, Katzman BM, Truax VM, Kim MB, Kuo KM, Wang T, Sum CS, Cvijic ME, Schroeder GM, Wilson LJ, Liotta DC.: Synthesis of Novel Tetrahydroisoquinoline CXCR4 Antagonists with Rigidified Side-Chains. ACS Med Chem Lett, Volume 9 (2), 2018";ChEMBL
MM473471;MM473471;CS(=O)(=O)c1nn(Cc2nc3cc(Cl)ccc3n2CCCCO)c2cnccc12;CCEVTLUASIOTJJ-UHFFFAOYSA-N;433.92;2.66;;;;;GENER;EPAM;25;0;"<a href=https://www.ebi.ac.uk/chembl/assay_report_card/CHEMBL4132438/  target=_blank>CHEMBL4132438</a>";;;;;;;;;-5.62;;;;;;;;;;;;"Feng S, Li C, Chen D, Zheng X, Yun H, Gao L, Shen HC.: Discovery of methylsulfonyl indazoles as potent and orally active respiratory syncytial Virus(RSV) fusion inhibitors. Eur J Med Chem, Volume 138, 2017";ChEMBL
MM474636;MM474636;N[C@H]1CC[C@@H](N(C[C@H]2Cc3ccccc3CN2)[C@H]2CCCc3cccnc32)CC1;HMEWDDRNEULPCX-LWSSLDFYSA-N;390.58;3.75;;;;;GENER;EPAM;25;0;"<a href=https://www.ebi.ac.uk/chembl/assay_report_card/CHEMBL4144850/  target=_blank>CHEMBL4144850</a>";;;;;;;;;-6;;;;;;;;;;;;"Jecs E, Miller EJ, Wilson RJ, Nguyen HH, Tahirovic YA, Katzman BM, Truax VM, Kim MB, Kuo KM, Wang T, Sum CS, Cvijic ME, Schroeder GM, Wilson LJ, Liotta DC.: Synthesis of Novel Tetrahydroisoquinoline CXCR4 Antagonists with Rigidified Side-Chains. ACS Med Chem Lett, Volume 9 (2), 2018";ChEMBL
MM472232;MM472232;CN(CC1Cc2c(cccc2N2CCNCC2)CN1)C1CCCc2cccnc21;HVYXYPWZDRWKCC-REWPJTCUSA-N;391.56;2.51;145957239;;;CHEMBL4162011;GENER;EPAM;25;0;"ph = 7.4, <a href=https://www.ebi.ac.uk/chembl/assay_report_card/CHEMBL4156818/  target=_blank>CHEMBL4156818</a>";;;;;;;;;-6.4;;;;;;;;;;;;"Nguyen HH, Kim MB, Wilson RJ, Butch CJ, Kuo KM, Miller EJ, Tahirovic YA, Jecs E, Truax VM, Wang T, Sum CS, Cvijic ME, Schroeder GM, Wilson LJ, Liotta DC.: Design, Synthesis, and Pharmacological Evaluation of Second-Generation Tetrahydroisoquinoline-Based CXCR4 Antagonists with Favorable ADME Properties. J Med Chem, Volume 61 (16), 2018";ChEMBL
MM471738;MM471738;Cc1cc(NCCN2CCCC2)nc2ccc(NC(=O)c3ccc(Cl)c(Cl)c3)cc12;BNOKIEQEVADACR-UHFFFAOYSA-N;443.38;5.61;;;;;GENER;EPAM;25;0;"ph = 7.4, <a href=https://www.ebi.ac.uk/chembl/assay_report_card/CHEMBL4134985/  target=_blank>CHEMBL4134985</a>";;;;;;;;;-4.68;;;;;;;;;;;;"Jiang F, Guo AP, Xu JC, Wang HJ, Mo XF, You QD, Xu XL.: Identification and optimization of novel 6-acylamino-2-aminoquinolines as potent Hsp90 C-terminal inhibitors. Eur J Med Chem, Volume 141, 2017";ChEMBL
MM474305;MM474305;Cc1ccc(Oc2ccc3nc(COc4cccc(C(=O)O)c4)n(C)c3n2)c(C)c1;ATVMATMJVBIANN-UHFFFAOYSA-N;403.44;4.65;145960211;;;CHEMBL4162387;GENER;EPAM;25;0;"<a href=https://www.ebi.ac.uk/chembl/assay_report_card/CHEMBL4157977/  target=_blank>CHEMBL4157977</a>";;;;;;;;;-4.54;;;;;;;;;;;;"Shinozuka T, Tsukada T, Fujii K, Tokumaru E, Shimada K, Onishi Y, Matsui Y, Wakimoto S, Kuroha M, Ogata T, Araki K, Ohsumi J, Sawamura R, Watanabe N, Yamamoto H, Fujimoto K, Tani Y, Mori M, Tanaka J.: Discovery of DS-6930, a potent selective PPARγ modulator. Part II: Lead optimization. Bioorg Med Chem, Volume 26 (18), 2018";ChEMBL
MM474319;MM474319;NCCNc1cc(N2CCCc3ccccc3C2)nc2ccccc12;JUWZQBRMSFXSPH-UHFFFAOYSA-N;332.45;3.56;71255335;;;CHEMBL4162598;GENER;EPAM;25;0;"<a href=https://www.ebi.ac.uk/chembl/assay_report_card/CHEMBL4158586/  target=_blank>CHEMBL4158586</a>";;;;;;;;;-6;;;;;;;;;;;;"Zheng X, Liang C, Wang L, Wang B, Liu Y, Feng S, Wu JZ, Gao L, Feng L, Chen L, Guo T, Shen HC, Yun H.: Discovery of Benzoazepinequinoline (BAQ) Derivatives as Novel, Potent, Orally Bioavailable Respiratory Syncytial Virus Fusion Inhibitors. J Med Chem, Volume 61 (22), 2018";ChEMBL
MM471732;MM471732;Cc1cc2c(cc1C)-c1oc(C(=O)N3CCN(Cc4ccccc4)CC3)c(C)c1C(=O)C2=O;LUCVOLYBWQUGEI-UHFFFAOYSA-N;442.52;4.21;;;;;GENER;EPAM;25;0;"ph = 7.4, <a href=https://www.ebi.ac.uk/chembl/assay_report_card/CHEMBL4131170/  target=_blank>CHEMBL4131170</a>";;;;;;;;;-4.92;;;;;;;;;;;;"Zhang X, Bian J, Li X, Wu X, Dong Y, You Q.: 2-Substituted 3,7,8-trimethylnaphtho[1,2-b]furan-4,5-diones as specific L-shaped NQO1-mediated redox modulators for the treatment of non-small cell lung cancer. Eur J Med Chem, Volume 138, 2017";ChEMBL
MM474308;MM474308;Cn1c(COc2cccc(C(=O)O)c2)nc2ccc(Oc3ccc4c(c3)CCC4)nc21;ZNQAYBXPYCPXSY-UHFFFAOYSA-N;415.45;4.53;145957036;;;CHEMBL4163093;GENER;EPAM;25;0;"<a href=https://www.ebi.ac.uk/chembl/assay_report_card/CHEMBL4157977/  target=_blank>CHEMBL4157977</a>";;;;;;;;;-4.5;;;;;;;;;;;;"Shinozuka T, Tsukada T, Fujii K, Tokumaru E, Shimada K, Onishi Y, Matsui Y, Wakimoto S, Kuroha M, Ogata T, Araki K, Ohsumi J, Sawamura R, Watanabe N, Yamamoto H, Fujimoto K, Tani Y, Mori M, Tanaka J.: Discovery of DS-6930, a potent selective PPARγ modulator. Part II: Lead optimization. Bioorg Med Chem, Volume 26 (18), 2018";ChEMBL
MM474574;MM474574;CCCc1nn(C)c2c(=O)[nH]c(-c3cc(S(=O)(=O)N4CCN(C)CC4)ccc3OCC)nc12;;474.59;1.61;;;;CHEMBL192;BBB;EPAM;25;0;"<a href=https://www.ebi.ac.uk/chembl/assay_report_card/CHEMBL4198925/  target=_blank>CHEMBL4198925</a>";;;;;;;;;-5.56;;;;;;;;;;;;"Rabal O, Sánchez-Arias JA, Cuadrado-Tejedor M, de Miguel I, Pérez-González M, García-Barroso C, Ugarte A, Estella-Hermoso de Mendoza A, Sáez E, Espelosin M, Ursua S, Haizhong T, Wei W, Musheng X, Garcia-Osta A, Oyarzabal J.: Design, synthesis, biological evaluation and in vivo testing of dual phosphodiesterase 5 (PDE5) and histone deacetylase 6 (HDAC6)-selective inhibitors for the treatment of Alzheimer's disease. Eur J Med Chem, Volume 150, 2018";ChEMBL
MM473490;MM473490;CNC(=O)Nc1ccc2c(c1)CC[C@]21NC(=O)N(CC(=O)N(Cc2ccccc2)[C@@H](C)C2CC2)C1=O;LVVCZEJBVPEPGJ-SOKVYYICSA-N;489.58;2.96;;;;;GENER;EPAM;25;0;"<a href=https://www.ebi.ac.uk/chembl/assay_report_card/CHEMBL4144320/  target=_blank>CHEMBL4144320</a>";;;;;;;;;-6.33;;;;;;;;;;;;"Michaelides MR, Kluge A, Patane M, Van Drie JH, Wang C, Hansen TM, Risi RM, Mantei R, Hertel C, Karukurichi K, Nesterov A, McElligott D, de Vries P, Langston JW, Cole PA, Marmorstein R, Liu H, Lasko L, Bromberg KD, Lai A, Kesicki EA.: Discovery of Spiro Oxazolidinediones as Selective, Orally Bioavailable Inhibitors of p300/CBP Histone Acetyltransferases. ACS Med Chem Lett, Volume 9 (1), 2018";ChEMBL
MM474574;MM474574;CCCc1nn(C)c2c(=O)[nH]c(-c3cc(S(=O)(=O)N4CCN(C)CC4)ccc3OCC)nc12;;474.59;1.61;;;;CHEMBL192;BBB;EPAM;25;0;"<a href=https://www.ebi.ac.uk/chembl/assay_report_card/CHEMBL3861001/  target=_blank>CHEMBL3861001</a>";;;;;;;;;-5.56;;;;;;;;;;;;"Rabal O, Sánchez-Arias JA, Cuadrado-Tejedor M, de Miguel I, Pérez-González M, García-Barroso C, Ugarte A, Estella-Hermoso de Mendoza A, Sáez E, Espelosin M, Ursua S, Haizhong T, Wei W, Musheng X, Garcia-Osta A, Oyarzabal J.: Design, Synthesis, and Biological Evaluation of First-in-Class Dual Acting Histone Deacetylases (HDACs) and Phosphodiesterase 5 (PDE5) Inhibitors for the Treatment of Alzheimer's Disease. J Med Chem, Volume 59 (19), 2016";ChEMBL
MM472818;MM472818;CC(Oc1ncc(NC(=O)Cc2ccncc2)cc1Cl)c1ccccc1;IQFACHIXVNTGSA-AWEZNQCLSA-N;367.84;4.45;145960248;;;CHEMBL4163551;GENER;EPAM;25;0;"<a href=https://www.ebi.ac.uk/chembl/assay_report_card/CHEMBL4137938/  target=_blank>CHEMBL4137938</a>";;;;;;;;;-3.7;;;;;;;;;;;;"Carcache DA, Vulpetti A, Kallen J, Mattes H, Orain D, Stringer R, Vangrevelinghe E, Wolf RM, Kaupmann K, Ottl J, Dawson J, Cooke NG, Hoegenauer K, Billich A, Wagner J, Guntermann C, Hintermann S.: Optimizing a Weakly Binding Fragment into a Potent RORγt Inverse Agonist with Efficacy in an in Vivo Inflammation Model. J Med Chem, Volume 61 (15), 2018";ChEMBL
MM474632;MM474632;NCC1CC1CN(CC1Cc2ccccc2CN1)C1CCCc2cccnc21;;376.55;3.07;145956824;;;CHEMBL4163770;GENER;EPAM;25;0;"<a href=https://www.ebi.ac.uk/chembl/assay_report_card/CHEMBL4144849/  target=_blank>CHEMBL4144849</a>";;;;;;;;;-4.89;;;;;;;;;;;;"Jecs E, Miller EJ, Wilson RJ, Nguyen HH, Tahirovic YA, Katzman BM, Truax VM, Kim MB, Kuo KM, Wang T, Sum CS, Cvijic ME, Schroeder GM, Wilson LJ, Liotta DC.: Synthesis of Novel Tetrahydroisoquinoline CXCR4 Antagonists with Rigidified Side-Chains. ACS Med Chem Lett, Volume 9 (2), 2018";ChEMBL
MM473470;MM473470;CS(=O)(=O)c1nn(Cc2nc3cc(Cl)ccc3n2CCCO)c2cnccc12;ZHBRVCZEHASCGY-UHFFFAOYSA-N;419.89;2.27;;;;;GENER;EPAM;25;0;"<a href=https://www.ebi.ac.uk/chembl/assay_report_card/CHEMBL4132438/  target=_blank>CHEMBL4132438</a>";;;;;;;;;-5.46;;;;;;;;;;;;"Feng S, Li C, Chen D, Zheng X, Yun H, Gao L, Shen HC.: Discovery of methylsulfonyl indazoles as potent and orally active respiratory syncytial Virus(RSV) fusion inhibitors. Eur J Med Chem, Volume 138, 2017";ChEMBL
MM474625;MM474625;CC(=CCN)CN(CC1Cc2ccccc2CN1)C1CCCc2cccnc21;;376.55;3.38;145958296;;;CHEMBL4164075;GENER;EPAM;25;0;"<a href=https://www.ebi.ac.uk/chembl/assay_report_card/CHEMBL4144849/  target=_blank>CHEMBL4144849</a>";;;;;;;;;-4.6;;;;;;;;;;;;"Jecs E, Miller EJ, Wilson RJ, Nguyen HH, Tahirovic YA, Katzman BM, Truax VM, Kim MB, Kuo KM, Wang T, Sum CS, Cvijic ME, Schroeder GM, Wilson LJ, Liotta DC.: Synthesis of Novel Tetrahydroisoquinoline CXCR4 Antagonists with Rigidified Side-Chains. ACS Med Chem Lett, Volume 9 (2), 2018";ChEMBL
MM473854;MM473854;COc1cc(OC)cc(-c2ccc(Cc3cn(Cc4ccc(F)cc4)c(N)n3)cc2)c1;JBPCZABGSAXGTF-UHFFFAOYSA-N;417.48;4.93;;;;;BBB;EPAM;25;0;"<a href=https://www.ebi.ac.uk/chembl/assay_report_card/CHEMBL1936479/  target=_blank>CHEMBL1936479</a>";;;;;;;;;-5.4;;;;;;;;;;;;"Chiriano G, De Simone A, Mancini F, Perez DI, Cavalli A, Bolognesi ML, Legname G, Martinez A, Andrisano V, Carloni P, Roberti M.: A small chemical library of 2-aminoimidazole derivatives as BACE-1 inhibitors: Structure-based design, synthesis, and biological evaluation. Eur J Med Chem, Volume 48, 2012";ChEMBL
MM474625;MM474625;CC(=CCN)CN(CC1Cc2ccccc2CN1)C1CCCc2cccnc21;;376.55;3.38;145958296;;;CHEMBL4164075;GENER;EPAM;25;0;"<a href=https://www.ebi.ac.uk/chembl/assay_report_card/CHEMBL4144850/  target=_blank>CHEMBL4144850</a>";;;;;;;;;-5.08;;;;;;;;;;;;"Jecs E, Miller EJ, Wilson RJ, Nguyen HH, Tahirovic YA, Katzman BM, Truax VM, Kim MB, Kuo KM, Wang T, Sum CS, Cvijic ME, Schroeder GM, Wilson LJ, Liotta DC.: Synthesis of Novel Tetrahydroisoquinoline CXCR4 Antagonists with Rigidified Side-Chains. ACS Med Chem Lett, Volume 9 (2), 2018";ChEMBL
MM473853;MM473853;COc1cc(OC)cc(-c2ccc(Cc3cn(Cc4cc(F)cc(F)c4)c(N)n3)cc2)c1;ORBISPNVMHCAMB-UHFFFAOYSA-N;435.47;5.07;;;;;BBB;EPAM;25;0;"<a href=https://www.ebi.ac.uk/chembl/assay_report_card/CHEMBL1936479/  target=_blank>CHEMBL1936479</a>";;;;;;;;;-5.49;;;;;;;;;;;;"Chiriano G, De Simone A, Mancini F, Perez DI, Cavalli A, Bolognesi ML, Legname G, Martinez A, Andrisano V, Carloni P, Roberti M.: A small chemical library of 2-aminoimidazole derivatives as BACE-1 inhibitors: Structure-based design, synthesis, and biological evaluation. Eur J Med Chem, Volume 48, 2012";ChEMBL
MM473852;MM473852;Nc1nc(Cc2ccc(-c3cccc4oc5ccccc5c34)cc2)cn1Cc1ccccc1Cl;QCDSOJKTGGQUQP-UHFFFAOYSA-N;463.97;7.32;;;;;BBB;EPAM;25;0;"<a href=https://www.ebi.ac.uk/chembl/assay_report_card/CHEMBL1936479/  target=_blank>CHEMBL1936479</a>";;;;;;;;;-5.4;;;;;;;;;;;;"Chiriano G, De Simone A, Mancini F, Perez DI, Cavalli A, Bolognesi ML, Legname G, Martinez A, Andrisano V, Carloni P, Roberti M.: A small chemical library of 2-aminoimidazole derivatives as BACE-1 inhibitors: Structure-based design, synthesis, and biological evaluation. Eur J Med Chem, Volume 48, 2012";ChEMBL
MM473137;MM473137;NC(=O)[C@H](CCCN=C(N)N)NC(=O)[C@H](Cc1c[nH]c2ccccc12)NC(=O)[C@@H](N)CCCN=C(N)N;CJPRHIHRLZZAPV-SZMVWBNQSA-N;515.62;-2.4;;;;;GENER;EPAM;25;0;"<a href=https://www.ebi.ac.uk/chembl/assay_report_card/CHEMBL1769838/  target=_blank>CHEMBL1769838</a>";;;;;;;;;-5.63;;;;;;;;;;;;"Flaten GE, Kottra G, Stensen W, Isaksen G, Karstad R, Svendsen JS, Daniel H, Svenson J.: In vitro characterization of human peptide transporter hPEPT1 interactions and passive permeation studies of short cationic antimicrobial peptides. J Med Chem, Volume 54 (7), 2011";ChEMBL
MM473857;MM473857;CN1CCN(CCC(=O)NN2c3ccccc3Sc3cc(Cl)ccc32)CC1;LDTUHBBEUPFGII-UHFFFAOYSA-N;402.95;3.61;53306059;;;CHEMBL1938397;BBB;EPAM;25;0;"<a href=https://www.ebi.ac.uk/chembl/assay_report_card/CHEMBL1943846/  target=_blank>CHEMBL1943846</a>";;;;;;;;;-4.86;;;;;;;;;;;;"González-Muñoz GC, Arce MP, López B, Pérez C, Romero A, del Barrio L, Martín-de-Saavedra MD, Egea J, León R, Villarroya M, López MG, García AG, Conde S, Rodríguez-Franco MI.: N-acylaminophenothiazines: neuroprotective agents displaying multifunctional activities for a potential treatment of Alzheimer's disease. Eur J Med Chem, Volume 46 (6), 2011";ChEMBL
MM474299;MM474299;Cc1cnc(Oc2ccc3nc(COc4cccc(C(=O)O)c4)n(C)c3c2)c(C)c1;GEGLFSVXCSGSOB-UHFFFAOYSA-N;403.44;4.65;;;;;GENER;EPAM;25;0;"<a href=https://www.ebi.ac.uk/chembl/assay_report_card/CHEMBL4157977/  target=_blank>CHEMBL4157977</a>";;;;;;;;;-4.89;;;;;;;;;;;;"Shinozuka T, Tsukada T, Fujii K, Tokumaru E, Shimada K, Onishi Y, Matsui Y, Wakimoto S, Kuroha M, Ogata T, Araki K, Ohsumi J, Sawamura R, Watanabe N, Yamamoto H, Fujimoto K, Tani Y, Mori M, Tanaka J.: Discovery of DS-6930, a potent selective PPARγ modulator. Part II: Lead optimization. Bioorg Med Chem, Volume 26 (18), 2018";ChEMBL
MM472218;MM472218;c1ccc2c(c1)CNC(CN(CCC1CCNCC1)C1CCCc3cccnc31)C2;HRURMUJQOQRMOO-RPBOFIJWSA-N;404.6;3.87;145959814;;;CHEMBL4164702;GENER;EPAM;25;0;"ph = 7.4, <a href=https://www.ebi.ac.uk/chembl/assay_report_card/CHEMBL4149805/  target=_blank>CHEMBL4149805</a>";;;;;;;;;-5.72;;;;;;;;;;;;"Tahirovic YA, Truax VM, Wilson RJ, Jecs E, Nguyen HH, Miller EJ, Kim MB, Kuo KM, Wang T, Sum CS, Cvijic ME, Schroeder GM, Wilson LJ, Liotta DC.: Discovery of N-Alkyl Piperazine Side Chain Based CXCR4 Antagonists with Improved Drug-like Properties. ACS Med Chem Lett, Volume 9 (5), 2018";ChEMBL
MM473872;MM473872;CN(C)CC(=O)NN1c2ccccc2Sc2ccccc21;GEHFMOURDWWNQT-UHFFFAOYSA-N;299.4;2.88;12445964;;;CHEMBL1938451;BBB;EPAM;25;0;"<a href=https://www.ebi.ac.uk/chembl/assay_report_card/CHEMBL1943846/  target=_blank>CHEMBL1943846</a>";;;;;;;;;-4.74;;;;;;;;;;;;"González-Muñoz GC, Arce MP, López B, Pérez C, Romero A, del Barrio L, Martín-de-Saavedra MD, Egea J, León R, Villarroya M, López MG, García AG, Conde S, Rodríguez-Franco MI.: N-acylaminophenothiazines: neuroprotective agents displaying multifunctional activities for a potential treatment of Alzheimer's disease. Eur J Med Chem, Volume 46 (6), 2011";ChEMBL
MM473871;MM473871;CN(C)CC(=O)NN1c2ccccc2Sc2ccc(Cl)cc21;QZEILJFOMBSNNN-UHFFFAOYSA-N;333.84;3.54;12445972;;;CHEMBL1938452;BBB;EPAM;25;0;"<a href=https://www.ebi.ac.uk/chembl/assay_report_card/CHEMBL1943846/  target=_blank>CHEMBL1943846</a>";;;;;;;;;-4.87;;;;;;;;;;;;"González-Muñoz GC, Arce MP, López B, Pérez C, Romero A, del Barrio L, Martín-de-Saavedra MD, Egea J, León R, Villarroya M, López MG, García AG, Conde S, Rodríguez-Franco MI.: N-acylaminophenothiazines: neuroprotective agents displaying multifunctional activities for a potential treatment of Alzheimer's disease. Eur J Med Chem, Volume 46 (6), 2011";ChEMBL
MM474300;MM474300;Cn1c(COc2cccc(C(=O)O)c2)nc2ccc(Oc3ccc(Cl)c(F)c3)cc21;QCDBYUFGXWPSLV-UHFFFAOYSA-N;426.83;5.44;25115504;;;CHEMBL4164753;GENER;EPAM;25;0;"<a href=https://www.ebi.ac.uk/chembl/assay_report_card/CHEMBL4157977/  target=_blank>CHEMBL4157977</a>";;;;;;;;;-4.41;;;;;;;;;;;;"Shinozuka T, Tsukada T, Fujii K, Tokumaru E, Shimada K, Onishi Y, Matsui Y, Wakimoto S, Kuroha M, Ogata T, Araki K, Ohsumi J, Sawamura R, Watanabe N, Yamamoto H, Fujimoto K, Tani Y, Mori M, Tanaka J.: Discovery of DS-6930, a potent selective PPARγ modulator. Part II: Lead optimization. Bioorg Med Chem, Volume 26 (18), 2018";ChEMBL
MM471729;MM471729;Cc1cc2c(cc1C)-c1oc(CNc3cccc(F)c3)c(C)c1C(=O)C2=O;MAUDQUPICUORQZ-UHFFFAOYSA-N;363.39;5;;;;;GENER;EPAM;25;0;"ph = 7.4, <a href=https://www.ebi.ac.uk/chembl/assay_report_card/CHEMBL4131170/  target=_blank>CHEMBL4131170</a>";;;;;;;;;-4.18;;;;;;;;;;;;"Zhang X, Bian J, Li X, Wu X, Dong Y, You Q.: 2-Substituted 3,7,8-trimethylnaphtho[1,2-b]furan-4,5-diones as specific L-shaped NQO1-mediated redox modulators for the treatment of non-small cell lung cancer. Eur J Med Chem, Volume 138, 2017";ChEMBL
MM473870;MM473870;CN(C)CC(=O)NN1c2ccccc2Sc2cc(Cl)ccc21;BZPJQAGUAPIWBK-UHFFFAOYSA-N;333.84;3.54;12445968;;;CHEMBL1938453;BBB;EPAM;25;0;"<a href=https://www.ebi.ac.uk/chembl/assay_report_card/CHEMBL1943846/  target=_blank>CHEMBL1943846</a>";;;;;;;;;-4.81;;;;;;;;;;;;"González-Muñoz GC, Arce MP, López B, Pérez C, Romero A, del Barrio L, Martín-de-Saavedra MD, Egea J, León R, Villarroya M, López MG, García AG, Conde S, Rodríguez-Franco MI.: N-acylaminophenothiazines: neuroprotective agents displaying multifunctional activities for a potential treatment of Alzheimer's disease. Eur J Med Chem, Volume 46 (6), 2011";ChEMBL
MM474630;MM474630;FC1(F)CCC(NCC=CCN(CC2Cc3ccccc3CN2)C2CCCc3cccnc32)CC1;UOJYAHYPXYXUMQ-DKGWXTDUSA-N;480.65;5.2;135313963;;;CHEMBL4094123;GENER;EPAM;25;0;"<a href=https://www.ebi.ac.uk/chembl/assay_report_card/CHEMBL4144849/  target=_blank>CHEMBL4144849</a>";;;;;;;;;-5.89;;;;;;;;;;;;"Jecs E, Miller EJ, Wilson RJ, Nguyen HH, Tahirovic YA, Katzman BM, Truax VM, Kim MB, Kuo KM, Wang T, Sum CS, Cvijic ME, Schroeder GM, Wilson LJ, Liotta DC.: Synthesis of Novel Tetrahydroisoquinoline CXCR4 Antagonists with Rigidified Side-Chains. ACS Med Chem Lett, Volume 9 (2), 2018";ChEMBL
MM473869;MM473869;O=C(CN1CCCCC1)NN1c2ccccc2Sc2ccccc21;ALVVXSSFOOYRDP-UHFFFAOYSA-N;339.46;3.81;12445967;;;CHEMBL1938454;BBB;EPAM;25;0;"<a href=https://www.ebi.ac.uk/chembl/assay_report_card/CHEMBL1943846/  target=_blank>CHEMBL1943846</a>";;;;;;;;;-4.79;;;;;;;;;;;;"González-Muñoz GC, Arce MP, López B, Pérez C, Romero A, del Barrio L, Martín-de-Saavedra MD, Egea J, León R, Villarroya M, López MG, García AG, Conde S, Rodríguez-Franco MI.: N-acylaminophenothiazines: neuroprotective agents displaying multifunctional activities for a potential treatment of Alzheimer's disease. Eur J Med Chem, Volume 46 (6), 2011";ChEMBL
MM474320;MM474320;Cc1ccc2nc(N3CCS(=O)(=O)c4ccccc4C3)cc(NCCN)c2c1;MAEZLZJVRSSWHN-UHFFFAOYSA-N;396.52;2.71;71255164;;;CHEMBL4165392;GENER;EPAM;25;0;"<a href=https://www.ebi.ac.uk/chembl/assay_report_card/CHEMBL4158586/  target=_blank>CHEMBL4158586</a>";;;;;;;;;-6.92;;;;;;;;;;;;"Zheng X, Liang C, Wang L, Wang B, Liu Y, Feng S, Wu JZ, Gao L, Feng L, Chen L, Guo T, Shen HC, Yun H.: Discovery of Benzoazepinequinoline (BAQ) Derivatives as Novel, Potent, Orally Bioavailable Respiratory Syncytial Virus Fusion Inhibitors. J Med Chem, Volume 61 (22), 2018";ChEMBL
MM473868;MM473868;O=C(CN1CCCCC1)NN1c2ccccc2Sc2cccc(Cl)c21;KBZSFWLURQFJSH-UHFFFAOYSA-N;373.91;4.46;44555640;;;CHEMBL1938455;BBB;EPAM;25;0;"<a href=https://www.ebi.ac.uk/chembl/assay_report_card/CHEMBL1943846/  target=_blank>CHEMBL1943846</a>";;;;;;;;;-4.86;;;;;;;;;;;;"González-Muñoz GC, Arce MP, López B, Pérez C, Romero A, del Barrio L, Martín-de-Saavedra MD, Egea J, León R, Villarroya M, López MG, García AG, Conde S, Rodríguez-Franco MI.: N-acylaminophenothiazines: neuroprotective agents displaying multifunctional activities for a potential treatment of Alzheimer's disease. Eur J Med Chem, Volume 46 (6), 2011";ChEMBL
MM471740;MM471740;Cc1cc(NCCN2CCOCC2)nc2ccc(NC(=O)c3ccc(Cl)c(Cl)c3)cc12;JDCFMUZIDMPOGY-UHFFFAOYSA-N;459.38;4.85;;;;;GENER;EPAM;25;0;"ph = 7.4, <a href=https://www.ebi.ac.uk/chembl/assay_report_card/CHEMBL4134985/  target=_blank>CHEMBL4134985</a>";;;;;;;;;-4.3;;;;;;;;;;;;"Jiang F, Guo AP, Xu JC, Wang HJ, Mo XF, You QD, Xu XL.: Identification and optimization of novel 6-acylamino-2-aminoquinolines as potent Hsp90 C-terminal inhibitors. Eur J Med Chem, Volume 141, 2017";ChEMBL
MM473867;MM473867;O=C(CN1CCCCC1)NN1c2ccccc2Sc2ccc(Cl)cc21;JQQPIOIJGXIPLF-UHFFFAOYSA-N;373.91;4.46;12445975;;;CHEMBL1938456;BBB;EPAM;25;0;"<a href=https://www.ebi.ac.uk/chembl/assay_report_card/CHEMBL1943846/  target=_blank>CHEMBL1943846</a>";;;;;;;;;-5.04;;;;;;;;;;;;"González-Muñoz GC, Arce MP, López B, Pérez C, Romero A, del Barrio L, Martín-de-Saavedra MD, Egea J, León R, Villarroya M, López MG, García AG, Conde S, Rodríguez-Franco MI.: N-acylaminophenothiazines: neuroprotective agents displaying multifunctional activities for a potential treatment of Alzheimer's disease. Eur J Med Chem, Volume 46 (6), 2011";ChEMBL
MM473866;MM473866;O=C(CN1CCCCC1)NN1c2ccccc2Sc2cc(Cl)ccc21;WKYMGPHLAUGKGR-UHFFFAOYSA-N;373.91;4.46;12445971;;;CHEMBL1938457;BBB;EPAM;25;0;"<a href=https://www.ebi.ac.uk/chembl/assay_report_card/CHEMBL1943846/  target=_blank>CHEMBL1943846</a>";;;;;;;;;-4.83;;;;;;;;;;;;"González-Muñoz GC, Arce MP, López B, Pérez C, Romero A, del Barrio L, Martín-de-Saavedra MD, Egea J, León R, Villarroya M, López MG, García AG, Conde S, Rodríguez-Franco MI.: N-acylaminophenothiazines: neuroprotective agents displaying multifunctional activities for a potential treatment of Alzheimer's disease. Eur J Med Chem, Volume 46 (6), 2011";ChEMBL
MM473476;MM473476;CS(=O)(=O)c1nn(Cc2nc3cc(Cl)ccc3n2CCC(F)(F)F)c2cnccc12;FRIWQLZYNOSZMX-UHFFFAOYSA-N;457.87;3.84;;;;;GENER;EPAM;25;0;"<a href=https://www.ebi.ac.uk/chembl/assay_report_card/CHEMBL4132438/  target=_blank>CHEMBL4132438</a>";;;;;;;;;-5.55;;;;;;;;;;;;"Feng S, Li C, Chen D, Zheng X, Yun H, Gao L, Shen HC.: Discovery of methylsulfonyl indazoles as potent and orally active respiratory syncytial Virus(RSV) fusion inhibitors. Eur J Med Chem, Volume 138, 2017";ChEMBL
MM473865;MM473865;O=C(CN1CCCC1)NN1c2ccccc2Sc2ccccc21;NUEOXSIDDNCRSA-UHFFFAOYSA-N;325.44;3.42;12445966;;;CHEMBL1938458;BBB;EPAM;25;0;"<a href=https://www.ebi.ac.uk/chembl/assay_report_card/CHEMBL1943846/  target=_blank>CHEMBL1943846</a>";;;;;;;;;-4.98;;;;;;;;;;;;"González-Muñoz GC, Arce MP, López B, Pérez C, Romero A, del Barrio L, Martín-de-Saavedra MD, Egea J, León R, Villarroya M, López MG, García AG, Conde S, Rodríguez-Franco MI.: N-acylaminophenothiazines: neuroprotective agents displaying multifunctional activities for a potential treatment of Alzheimer's disease. Eur J Med Chem, Volume 46 (6), 2011";ChEMBL
MM474303;MM474303;Cc1ccc(Oc2ccc3nc(COc4cccc(C(=O)O)c4)n(C)c3n2)cc1;ADEWPQIVNWFIED-UHFFFAOYSA-N;389.41;4.35;68661514;;;CHEMBL4165832;GENER;EPAM;25;0;"<a href=https://www.ebi.ac.uk/chembl/assay_report_card/CHEMBL4157977/  target=_blank>CHEMBL4157977</a>";;;;;;;;;-4.9;;;;;;;;;;;;"Shinozuka T, Tsukada T, Fujii K, Tokumaru E, Shimada K, Onishi Y, Matsui Y, Wakimoto S, Kuroha M, Ogata T, Araki K, Ohsumi J, Sawamura R, Watanabe N, Yamamoto H, Fujimoto K, Tani Y, Mori M, Tanaka J.: Discovery of DS-6930, a potent selective PPARγ modulator. Part II: Lead optimization. Bioorg Med Chem, Volume 26 (18), 2018";ChEMBL
MM473864;MM473864;O=C(CN1CCCC1)NN1c2ccccc2Sc2ccc(Cl)cc21;WAIVAUWOHYEOFD-UHFFFAOYSA-N;359.88;4.07;12445974;;;CHEMBL1938459;BBB;EPAM;25;0;"<a href=https://www.ebi.ac.uk/chembl/assay_report_card/CHEMBL1943846/  target=_blank>CHEMBL1943846</a>";;;;;;;;;-4.95;;;;;;;;;;;;"González-Muñoz GC, Arce MP, López B, Pérez C, Romero A, del Barrio L, Martín-de-Saavedra MD, Egea J, León R, Villarroya M, López MG, García AG, Conde S, Rodríguez-Franco MI.: N-acylaminophenothiazines: neuroprotective agents displaying multifunctional activities for a potential treatment of Alzheimer's disease. Eur J Med Chem, Volume 46 (6), 2011";ChEMBL
MM473863;MM473863;O=C(CN1CCCC1)NN1c2ccccc2Sc2cc(Cl)ccc21;LLYYMSFSWPNTPP-UHFFFAOYSA-N;359.88;4.07;12445970;;;CHEMBL1938460;BBB;EPAM;25;0;"<a href=https://www.ebi.ac.uk/chembl/assay_report_card/CHEMBL1943846/  target=_blank>CHEMBL1943846</a>";;;;;;;;;-4.83;;;;;;;;;;;;"González-Muñoz GC, Arce MP, López B, Pérez C, Romero A, del Barrio L, Martín-de-Saavedra MD, Egea J, León R, Villarroya M, López MG, García AG, Conde S, Rodríguez-Franco MI.: N-acylaminophenothiazines: neuroprotective agents displaying multifunctional activities for a potential treatment of Alzheimer's disease. Eur J Med Chem, Volume 46 (6), 2011";ChEMBL
MM472235;MM472235;c1cnc2c(c1)CCCC2N(CC1CC1)CC1Cc2c(cccc2N2CCNCC2)CN1;LVRJXLFKEYVIDK-BVAGGSTKSA-N;431.63;3.3;145955884;;;CHEMBL4165854;GENER;EPAM;25;0;"ph = 7.4, <a href=https://www.ebi.ac.uk/chembl/assay_report_card/CHEMBL4156818/  target=_blank>CHEMBL4156818</a>";;;;;;;;;-5.06;;;;;;;;;;;;"Nguyen HH, Kim MB, Wilson RJ, Butch CJ, Kuo KM, Miller EJ, Tahirovic YA, Jecs E, Truax VM, Wang T, Sum CS, Cvijic ME, Schroeder GM, Wilson LJ, Liotta DC.: Design, Synthesis, and Pharmacological Evaluation of Second-Generation Tetrahydroisoquinoline-Based CXCR4 Antagonists with Favorable ADME Properties. J Med Chem, Volume 61 (16), 2018";ChEMBL
MM472241;MM472241;Cc1ccc(CN(C)CC2Cc3c(cccc3N3CCNCC3)CN2)nc1;RULCBINUQVNOQP-HXUWFJFHSA-N;365.53;1.95;135314362;;;CHEMBL4166081;GENER;EPAM;25;0;"ph = 7.4, <a href=https://www.ebi.ac.uk/chembl/assay_report_card/CHEMBL4156818/  target=_blank>CHEMBL4156818</a>";;;;;;;;;-4.65;;;;;;;;;;;;"Nguyen HH, Kim MB, Wilson RJ, Butch CJ, Kuo KM, Miller EJ, Tahirovic YA, Jecs E, Truax VM, Wang T, Sum CS, Cvijic ME, Schroeder GM, Wilson LJ, Liotta DC.: Design, Synthesis, and Pharmacological Evaluation of Second-Generation Tetrahydroisoquinoline-Based CXCR4 Antagonists with Favorable ADME Properties. J Med Chem, Volume 61 (16), 2018";ChEMBL
MM473862;MM473862;CC(=O)NN1c2ccccc2Sc2cc(Cl)ccc21;JSGWOFUTVMOIQZ-UHFFFAOYSA-N;290.78;3.99;12466699;;;CHEMBL1938461;BBB;EPAM;25;0;"<a href=https://www.ebi.ac.uk/chembl/assay_report_card/CHEMBL1943846/  target=_blank>CHEMBL1943846</a>";;;;;;;;;-5.01;;;;;;;;;;;;"González-Muñoz GC, Arce MP, López B, Pérez C, Romero A, del Barrio L, Martín-de-Saavedra MD, Egea J, León R, Villarroya M, López MG, García AG, Conde S, Rodríguez-Franco MI.: N-acylaminophenothiazines: neuroprotective agents displaying multifunctional activities for a potential treatment of Alzheimer's disease. Eur J Med Chem, Volume 46 (6), 2011";ChEMBL
MM473489;MM473489;CNC(=O)Nc1ccc2c(c1)CCC21OC(=O)N(CC(=O)N(Cc2ccccc2)C(C)C2CC2)C1=O;DREXABSQFKJHIP-CBZJRKILSA-N;490.56;3.39;118958021;;;CHEMBL4166626;GENER;EPAM;25;0;"<a href=https://www.ebi.ac.uk/chembl/assay_report_card/CHEMBL4144320/  target=_blank>CHEMBL4144320</a>";;;;;;;;;-5.63;;;;;;;;;;;;"Michaelides MR, Kluge A, Patane M, Van Drie JH, Wang C, Hansen TM, Risi RM, Mantei R, Hertel C, Karukurichi K, Nesterov A, McElligott D, de Vries P, Langston JW, Cole PA, Marmorstein R, Liu H, Lasko L, Bromberg KD, Lai A, Kesicki EA.: Discovery of Spiro Oxazolidinediones as Selective, Orally Bioavailable Inhibitors of p300/CBP Histone Acetyltransferases. ACS Med Chem Lett, Volume 9 (1), 2018";ChEMBL
MM473861;MM473861;O=C(CCN1CCCC1)NN1c2ccccc2Sc2ccccc21;WNKODICAVUIHQQ-UHFFFAOYSA-N;339.46;3.81;44555767;;;CHEMBL1938462;BBB;EPAM;25;0;"<a href=https://www.ebi.ac.uk/chembl/assay_report_card/CHEMBL1943846/  target=_blank>CHEMBL1943846</a>";;;;;;;;;-4.76;;;;;;;;;;;;"González-Muñoz GC, Arce MP, López B, Pérez C, Romero A, del Barrio L, Martín-de-Saavedra MD, Egea J, León R, Villarroya M, López MG, García AG, Conde S, Rodríguez-Franco MI.: N-acylaminophenothiazines: neuroprotective agents displaying multifunctional activities for a potential treatment of Alzheimer's disease. Eur J Med Chem, Volume 46 (6), 2011";ChEMBL
MM473860;MM473860;O=C(CCN1CCCC1)NN1c2ccccc2Sc2cc(Cl)ccc21;KRKONNGCDXPUEO-UHFFFAOYSA-N;373.91;4.46;44555768;;;CHEMBL1938463;BBB;EPAM;25;0;"<a href=https://www.ebi.ac.uk/chembl/assay_report_card/CHEMBL1943846/  target=_blank>CHEMBL1943846</a>";;;;;;;;;-4.79;;;;;;;;;;;;"González-Muñoz GC, Arce MP, López B, Pérez C, Romero A, del Barrio L, Martín-de-Saavedra MD, Egea J, León R, Villarroya M, López MG, García AG, Conde S, Rodríguez-Franco MI.: N-acylaminophenothiazines: neuroprotective agents displaying multifunctional activities for a potential treatment of Alzheimer's disease. Eur J Med Chem, Volume 46 (6), 2011";ChEMBL
MM474313;MM474313;Cn1c(COc2cccc(C(=O)O)c2)nc2cnc(Oc3ccc4c(c3)CCC4)cc21;ZMUIWKSDUAMTTO-UHFFFAOYSA-N;415.45;4.53;145955210;;;CHEMBL4166946;GENER;EPAM;25;0;"<a href=https://www.ebi.ac.uk/chembl/assay_report_card/CHEMBL4157977/  target=_blank>CHEMBL4157977</a>";;;;;;;;;-4.78;;;;;;;;;;;;"Shinozuka T, Tsukada T, Fujii K, Tokumaru E, Shimada K, Onishi Y, Matsui Y, Wakimoto S, Kuroha M, Ogata T, Araki K, Ohsumi J, Sawamura R, Watanabe N, Yamamoto H, Fujimoto K, Tani Y, Mori M, Tanaka J.: Discovery of DS-6930, a potent selective PPARγ modulator. Part II: Lead optimization. Bioorg Med Chem, Volume 26 (18), 2018";ChEMBL
MM472485;MM472485;CN(CC1Cc2c(cccc2N2CCN(c3ncccn3)CC2)CN1)C1CCCc2cccnc21;SBWDNXAOTCMVAA-BVAGGSTKSA-N;469.64;3.22;145952723;;;CHEMBL4167145;GENER;EPAM;25;0;"ph = 5.5, <a href=https://www.ebi.ac.uk/chembl/assay_report_card/CHEMBL4156819/  target=_blank>CHEMBL4156819</a>";;;;;;;;;-4.44;;;;;;;;;;;;"Nguyen HH, Kim MB, Wilson RJ, Butch CJ, Kuo KM, Miller EJ, Tahirovic YA, Jecs E, Truax VM, Wang T, Sum CS, Cvijic ME, Schroeder GM, Wilson LJ, Liotta DC.: Design, Synthesis, and Pharmacological Evaluation of Second-Generation Tetrahydroisoquinoline-Based CXCR4 Antagonists with Favorable ADME Properties. J Med Chem, Volume 61 (16), 2018";ChEMBL
MM473859;MM473859;COc1ccc2c(c1)Sc1ccccc1N2NC(=O)CCN1CCCC1;QWXWNGLHZBXGGK-UHFFFAOYSA-N;369.49;3.82;44555769;;;CHEMBL1938464;BBB;EPAM;25;0;"<a href=https://www.ebi.ac.uk/chembl/assay_report_card/CHEMBL1943846/  target=_blank>CHEMBL1943846</a>";;;;;;;;;-5.06;;;;;;;;;;;;"González-Muñoz GC, Arce MP, López B, Pérez C, Romero A, del Barrio L, Martín-de-Saavedra MD, Egea J, León R, Villarroya M, López MG, García AG, Conde S, Rodríguez-Franco MI.: N-acylaminophenothiazines: neuroprotective agents displaying multifunctional activities for a potential treatment of Alzheimer's disease. Eur J Med Chem, Volume 46 (6), 2011";ChEMBL
MM473858;MM473858;CN1CCN(CCC(=O)NN2c3ccccc3Sc3ccccc32)CC1;CIVPMIGRKOYJCI-UHFFFAOYSA-N;368.51;2.96;53306058;;;CHEMBL1938465;BBB;EPAM;25;0;"<a href=https://www.ebi.ac.uk/chembl/assay_report_card/CHEMBL1943846/  target=_blank>CHEMBL1943846</a>";;;;;;;;;-4.77;;;;;;;;;;;;"González-Muñoz GC, Arce MP, López B, Pérez C, Romero A, del Barrio L, Martín-de-Saavedra MD, Egea J, León R, Villarroya M, López MG, García AG, Conde S, Rodríguez-Franco MI.: N-acylaminophenothiazines: neuroprotective agents displaying multifunctional activities for a potential treatment of Alzheimer's disease. Eur J Med Chem, Volume 46 (6), 2011";ChEMBL
MM471737;MM471737;CCN(CC)CCNc1cc(C)c2cc(NC(=O)c3ccc(Cl)c(Cl)c3)ccc2n1;YQVDHEBZAZJTPX-UHFFFAOYSA-N;445.39;5.86;;;;;GENER;EPAM;25;0;"ph = 7.4, <a href=https://www.ebi.ac.uk/chembl/assay_report_card/CHEMBL4134985/  target=_blank>CHEMBL4134985</a>";;;;;;;;;-4.55;;;;;;;;;;;;"Jiang F, Guo AP, Xu JC, Wang HJ, Mo XF, You QD, Xu XL.: Identification and optimization of novel 6-acylamino-2-aminoquinolines as potent Hsp90 C-terminal inhibitors. Eur J Med Chem, Volume 141, 2017";ChEMBL
MM474310;MM474310;Cn1c(COc2cccc(C(=O)O)c2)nc2cnc(Oc3ccc(Cl)c(F)c3)cc21;BHXRPIJAPPYOTD-UHFFFAOYSA-N;427.82;4.83;145954306;;;CHEMBL4167180;GENER;EPAM;25;0;"<a href=https://www.ebi.ac.uk/chembl/assay_report_card/CHEMBL4157977/  target=_blank>CHEMBL4157977</a>";;;;;;;;;-4.95;;;;;;;;;;;;"Shinozuka T, Tsukada T, Fujii K, Tokumaru E, Shimada K, Onishi Y, Matsui Y, Wakimoto S, Kuroha M, Ogata T, Araki K, Ohsumi J, Sawamura R, Watanabe N, Yamamoto H, Fujimoto K, Tani Y, Mori M, Tanaka J.: Discovery of DS-6930, a potent selective PPARγ modulator. Part II: Lead optimization. Bioorg Med Chem, Volume 26 (18), 2018";ChEMBL
MM473856;MM473856;COc1ccc2c(c1)Sc1ccccc1N2NC(=O)CCN1CCN(C)CC1;NKDXKDSKOXRNRM-UHFFFAOYSA-N;398.53;2.97;53306060;;;CHEMBL1938466;BBB;EPAM;25;0;"<a href=https://www.ebi.ac.uk/chembl/assay_report_card/CHEMBL1943846/  target=_blank>CHEMBL1943846</a>";;;;;;;;;-4.77;;;;;;;;;;;;"González-Muñoz GC, Arce MP, López B, Pérez C, Romero A, del Barrio L, Martín-de-Saavedra MD, Egea J, León R, Villarroya M, López MG, García AG, Conde S, Rodríguez-Franco MI.: N-acylaminophenothiazines: neuroprotective agents displaying multifunctional activities for a potential treatment of Alzheimer's disease. Eur J Med Chem, Volume 46 (6), 2011";ChEMBL
MM473855;MM473855;CN1CCN(CCC(=O)NN2c3ccccc3Sc3cc([N+](=O)[O-])ccc32)CC1;RWHFFGWWHGLRHL-UHFFFAOYSA-N;413.5;2.87;;;;;BBB;EPAM;25;+1,-1;"<a href=https://www.ebi.ac.uk/chembl/assay_report_card/CHEMBL1943846/  target=_blank>CHEMBL1943846</a>";;;;;;;;;-4.84;;;;;;;;;;;;"González-Muñoz GC, Arce MP, López B, Pérez C, Romero A, del Barrio L, Martín-de-Saavedra MD, Egea J, León R, Villarroya M, López MG, García AG, Conde S, Rodríguez-Franco MI.: N-acylaminophenothiazines: neuroprotective agents displaying multifunctional activities for a potential treatment of Alzheimer's disease. Eur J Med Chem, Volume 46 (6), 2011";ChEMBL
MM473492;MM473492;CCCC(C)C(OC)C(C)C1CC=C(C)C(=O)OC(C(C)CC)C(=O)NC(C)C(=O)N(C)C(Cc2ccccc2)C(=O)N(C)CC(=O)NC(C(C)CC)C(=O)NC(C)C(=O)O1;XGDTXJSPMVJEIK-LVAZOHBQSA-N;856.12;4.36;145954778;;;CHEMBL4167369;GENER;EPAM;25;0;"<a href=https://www.ebi.ac.uk/chembl/assay_report_card/CHEMBL4149335/  target=_blank>CHEMBL4149335</a>";;;;;;;;;-6.09;;;;;;;;;;;;"Kaneda M, Kawaguchi S, Fujii N, Ohno H, Oishi S.: Structure-Activity Relationship Study on Odoamide: Insights into the Bioactivities of Aurilide-Family Hybrid Peptide-Polyketides. ACS Med Chem Lett, Volume 9 (4), 2018";ChEMBL
MM474635;MM474635;NCC1=C(CN(CC2Cc3ccccc3CN2)C2CCCc3cccnc32)CCCC1;HCZHUJUTBCLSTK-FTJBHMTQSA-N;416.61;4.3;145954567;;;CHEMBL4167521;GENER;EPAM;25;0;"<a href=https://www.ebi.ac.uk/chembl/assay_report_card/CHEMBL4144850/  target=_blank>CHEMBL4144850</a>";;;;;;;;;-4.77;;;;;;;;;;;;"Jecs E, Miller EJ, Wilson RJ, Nguyen HH, Tahirovic YA, Katzman BM, Truax VM, Kim MB, Kuo KM, Wang T, Sum CS, Cvijic ME, Schroeder GM, Wilson LJ, Liotta DC.: Synthesis of Novel Tetrahydroisoquinoline CXCR4 Antagonists with Rigidified Side-Chains. ACS Med Chem Lett, Volume 9 (2), 2018";ChEMBL
MM473494;MM473494;Cc1ccn2nc(C(C)Nc3ncnc4[nH]cc(-c5cc(NS(C)(=O)=O)cc6[nH]ccc56)c34)n(-c3ccccc3)c(=O)c12;KHJNCYCXAKBENU-SFHVURJKSA-N;593.67;4.76;118433737;;;CHEMBL4167561;GENER;EPAM;25;0;"<a href=https://www.ebi.ac.uk/chembl/assay_report_card/CHEMBL4158785/  target=_blank>CHEMBL4158785</a>";;;;;;;;;-6.7;;;;;;;;;;;;"Erra M, Taltavull J, Bernal FJ, Caturla JF, Carrascal M, Pagès L, Mir M, Espinosa S, Gràcia J, Domínguez M, Sabaté M, Paris S, Maldonado M, Hernández B, Bravo M, Calama E, Miralpeix M, Lehner MD, Calbet M.: Discovery of a Novel Inhaled PI3Kδ Inhibitor for the Treatment of Respiratory Diseases. J Med Chem, Volume 61 (21), 2018";ChEMBL
9-(1,3-dihydroxy-propoxymethane)guanine;MM00367;Nc1nc(O)c2ncn(COC(CO)CO)c2n1;IRSCQMHQWWYFCW-UHFFFAOYSA-N;255.23;-1.56;3454;DB01004;GA2;CHEMBL182;GENER;EPAM;25;0;"ph = 6.5, <a href=https://www.ebi.ac.uk/chembl/assay_report_card/CHEMBL1046150/  target=_blank>CHEMBL1046150</a>";;;;;;;;;-6.15;;;;;;;;;;;;"Tam KY, Avdeef A, Tsinman O, Sun N.: The permeation of amphoteric drugs through artificial membranes--an in combo absorption model based on paracellular and transmembrane permeability. J Med Chem, Volume 53 (1), 392-401, 2010";ChEMBL
MM474307;MM474307;Cc1ccc(Oc2ccc3nc(COc4cccc(C(=O)O)c4)n(C)c3n2)cc1C;IXIHCRICOXHXQT-UHFFFAOYSA-N;403.44;4.65;68661980;;;CHEMBL4167767;GENER;EPAM;25;0;"<a href=https://www.ebi.ac.uk/chembl/assay_report_card/CHEMBL4157977/  target=_blank>CHEMBL4157977</a>";;;;;;;;;-4.91;;;;;;;;;;;;"Shinozuka T, Tsukada T, Fujii K, Tokumaru E, Shimada K, Onishi Y, Matsui Y, Wakimoto S, Kuroha M, Ogata T, Araki K, Ohsumi J, Sawamura R, Watanabe N, Yamamoto H, Fujimoto K, Tani Y, Mori M, Tanaka J.: Discovery of DS-6930, a potent selective PPARγ modulator. Part II: Lead optimization. Bioorg Med Chem, Volume 26 (18), 2018";ChEMBL
MM473873;MM473873;CN(C)CCNc1ccc2c(c1)-c1nccc3cccc(c13)C2=O;VIWITDOAELVDJV-UHFFFAOYSA-N;317.39;3.42;57390455;;;CHEMBL1956549;BBB;EPAM;25;0;"<a href=https://www.ebi.ac.uk/chembl/assay_report_card/CHEMBL1960718/  target=_blank>CHEMBL1960718</a>";;;;;;;;;-5.77;;;;;;;;;;;;"Tang H, Zhao HT, Zhong SM, Wang ZY, Chen ZF, Liang H.: Novel oxoisoaporphine-based inhibitors of acetyl- and butyrylcholinesterase and acetylcholinesterase-induced beta-amyloid aggregation. Bioorg Med Chem Lett, Volume 22 (6), 2012";ChEMBL
MM473464;MM473464;CS(=O)(=O)CCn1c(Cn2cc(S(C)(=O)=O)c3ccccc32)nc2cc(Cl)ccc21;RVWSPSOEJVDDPF-UHFFFAOYSA-N;465.98;3.14;;;;;GENER;EPAM;25;0;"<a href=https://www.ebi.ac.uk/chembl/assay_report_card/CHEMBL4132438/  target=_blank>CHEMBL4132438</a>";;;;;;;;;-5.64;;;;;;;;;;;;"Feng S, Li C, Chen D, Zheng X, Yun H, Gao L, Shen HC.: Discovery of methylsulfonyl indazoles as potent and orally active respiratory syncytial Virus(RSV) fusion inhibitors. Eur J Med Chem, Volume 138, 2017";ChEMBL
MM473874;MM473874;CN(C)CCCNc1ccc2c(c1)-c1nccc3cccc(c13)C2=O;TWUSFVAUFFQXIK-UHFFFAOYSA-N;331.42;3.81;57345522;;;CHEMBL1956550;BBB;EPAM;25;0;"<a href=https://www.ebi.ac.uk/chembl/assay_report_card/CHEMBL1960718/  target=_blank>CHEMBL1960718</a>";;;;;;;;;-6.05;;;;;;;;;;;;"Tang H, Zhao HT, Zhong SM, Wang ZY, Chen ZF, Liang H.: Novel oxoisoaporphine-based inhibitors of acetyl- and butyrylcholinesterase and acetylcholinesterase-induced beta-amyloid aggregation. Bioorg Med Chem Lett, Volume 22 (6), 2012";ChEMBL
MM474317;MM474317;Cn1c(COc2cccc(C(=O)O)c2)nc2ccc(Oc3cc(Cl)ccn3)cc21;QTICEWFECZQHII-UHFFFAOYSA-N;409.83;4.69;145954620;;;CHEMBL4168900;GENER;EPAM;25;0;"<a href=https://www.ebi.ac.uk/chembl/assay_report_card/CHEMBL4157977/  target=_blank>CHEMBL4157977</a>";;;;;;;;;-4.99;;;;;;;;;;;;"Shinozuka T, Tsukada T, Fujii K, Tokumaru E, Shimada K, Onishi Y, Matsui Y, Wakimoto S, Kuroha M, Ogata T, Araki K, Ohsumi J, Sawamura R, Watanabe N, Yamamoto H, Fujimoto K, Tani Y, Mori M, Tanaka J.: Discovery of DS-6930, a potent selective PPARγ modulator. Part II: Lead optimization. Bioorg Med Chem, Volume 26 (18), 2018";ChEMBL
MM473875;MM473875;CCN(CC)CCNc1ccc2c(c1)-c1nccc3cccc(c13)C2=O;LMQYQUSRKVTVDW-UHFFFAOYSA-N;345.45;4.2;57345523;;;CHEMBL1956551;BBB;EPAM;25;0;"<a href=https://www.ebi.ac.uk/chembl/assay_report_card/CHEMBL1960718/  target=_blank>CHEMBL1960718</a>";;;;;;;;;-5.36;;;;;;;;;;;;"Tang H, Zhao HT, Zhong SM, Wang ZY, Chen ZF, Liang H.: Novel oxoisoaporphine-based inhibitors of acetyl- and butyrylcholinesterase and acetylcholinesterase-induced beta-amyloid aggregation. Bioorg Med Chem Lett, Volume 22 (6), 2012";ChEMBL
MM473475;MM473475;CS(=O)(=O)c1nn(Cc2nc3cc(Cl)ccc3n2CCC(O)C(F)(F)F)c2cnccc12;IBCACDUJLGHIGJ-UHFFFAOYSA-N;487.89;3.2;;;;;GENER;EPAM;25;0;"<a href=https://www.ebi.ac.uk/chembl/assay_report_card/CHEMBL4132438/  target=_blank>CHEMBL4132438</a>";;;;;;;;;-5.37;;;;;;;;;;;;"Feng S, Li C, Chen D, Zheng X, Yun H, Gao L, Shen HC.: Discovery of methylsulfonyl indazoles as potent and orally active respiratory syncytial Virus(RSV) fusion inhibitors. Eur J Med Chem, Volume 138, 2017";ChEMBL
MM473876;MM473876;CCN(CC)CCCNc1ccc2c(c1)-c1nccc3cccc(c13)C2=O;XNETYORDRXPMRM-UHFFFAOYSA-N;359.47;4.59;57345524;;;CHEMBL1956552;BBB;EPAM;25;0;"<a href=https://www.ebi.ac.uk/chembl/assay_report_card/CHEMBL1960718/  target=_blank>CHEMBL1960718</a>";;;;;;;;;-5.96;;;;;;;;;;;;"Tang H, Zhao HT, Zhong SM, Wang ZY, Chen ZF, Liang H.: Novel oxoisoaporphine-based inhibitors of acetyl- and butyrylcholinesterase and acetylcholinesterase-induced beta-amyloid aggregation. Bioorg Med Chem Lett, Volume 22 (6), 2012";ChEMBL
MM472233;MM472233;CCN(CC1Cc2c(cccc2N2CCNCC2)CN1)C1CCCc2cccnc21;SIXBBSBNDNEWTQ-QPPBQGQZSA-N;405.59;2.91;145953040;;;CHEMBL4169280;GENER;EPAM;25;0;"ph = 7.4, <a href=https://www.ebi.ac.uk/chembl/assay_report_card/CHEMBL4156818/  target=_blank>CHEMBL4156818</a>";;;;;;;;;-5.12;;;;;;;;;;;;"Nguyen HH, Kim MB, Wilson RJ, Butch CJ, Kuo KM, Miller EJ, Tahirovic YA, Jecs E, Truax VM, Wang T, Sum CS, Cvijic ME, Schroeder GM, Wilson LJ, Liotta DC.: Design, Synthesis, and Pharmacological Evaluation of Second-Generation Tetrahydroisoquinoline-Based CXCR4 Antagonists with Favorable ADME Properties. J Med Chem, Volume 61 (16), 2018";ChEMBL
MM473877;MM473877;O=C1c2ccc(NCCN3CCOCC3)cc2-c2nccc3cccc1c23;TXVNKMVOZYSYBG-UHFFFAOYSA-N;359.43;3.19;57402733;;;CHEMBL1956553;BBB;EPAM;25;0;"<a href=https://www.ebi.ac.uk/chembl/assay_report_card/CHEMBL1960718/  target=_blank>CHEMBL1960718</a>";;;;;;;;;-4.95;;;;;;;;;;;;"Tang H, Zhao HT, Zhong SM, Wang ZY, Chen ZF, Liang H.: Novel oxoisoaporphine-based inhibitors of acetyl- and butyrylcholinesterase and acetylcholinesterase-induced beta-amyloid aggregation. Bioorg Med Chem Lett, Volume 22 (6), 2012";ChEMBL
MM473878;MM473878;O=C1c2ccc(NCCCN3CCOCC3)cc2-c2nccc3cccc1c23;INKMUDWQXKENFA-UHFFFAOYSA-N;373.46;3.58;57345525;;;CHEMBL1956554;BBB;EPAM;25;0;"<a href=https://www.ebi.ac.uk/chembl/assay_report_card/CHEMBL1960718/  target=_blank>CHEMBL1960718</a>";;;;;;;;;-5.12;;;;;;;;;;;;"Tang H, Zhao HT, Zhong SM, Wang ZY, Chen ZF, Liang H.: Novel oxoisoaporphine-based inhibitors of acetyl- and butyrylcholinesterase and acetylcholinesterase-induced beta-amyloid aggregation. Bioorg Med Chem Lett, Volume 22 (6), 2012";ChEMBL
MM471741;MM471741;Cc1cc(NCCN2CCN(C)CC2)nc2ccc(NC(=O)c3ccc(Cl)c(Cl)c3)cc12;AGCIIRILODTNNC-UHFFFAOYSA-N;472.42;4.76;;;;;GENER;EPAM;25;0;"ph = 7.4, <a href=https://www.ebi.ac.uk/chembl/assay_report_card/CHEMBL4134985/  target=_blank>CHEMBL4134985</a>";;;;;;;;;-5.11;;;;;;;;;;;;"Jiang F, Guo AP, Xu JC, Wang HJ, Mo XF, You QD, Xu XL.: Identification and optimization of novel 6-acylamino-2-aminoquinolines as potent Hsp90 C-terminal inhibitors. Eur J Med Chem, Volume 141, 2017";ChEMBL
MM473879;MM473879;O=C1c2ccc(NCCO)cc2-c2nccc3cccc1c23;RTMFWOSACWVCPW-UHFFFAOYSA-N;290.32;2.85;;;;;BBB;EPAM;25;0;"<a href=https://www.ebi.ac.uk/chembl/assay_report_card/CHEMBL1960718/  target=_blank>CHEMBL1960718</a>";;;;;;;;;-5.55;;;;;;;;;;;;"Tang H, Zhao HT, Zhong SM, Wang ZY, Chen ZF, Liang H.: Novel oxoisoaporphine-based inhibitors of acetyl- and butyrylcholinesterase and acetylcholinesterase-induced beta-amyloid aggregation. Bioorg Med Chem Lett, Volume 22 (6), 2012";ChEMBL
MM474627;MM474627;CC(CN(CC1Cc2ccccc2CN1)C1CCCc2cccnc21)=C(F)CN;MLQQKXMYXPIYTH-XXGJDRSASA-N;394.54;3.68;142416914;;;CHEMBL4169450;GENER;EPAM;25;0;"<a href=https://www.ebi.ac.uk/chembl/assay_report_card/CHEMBL4144849/  target=_blank>CHEMBL4144849</a>";;;;;;;;;-4.15;;;;;;;;;;;;"Jecs E, Miller EJ, Wilson RJ, Nguyen HH, Tahirovic YA, Katzman BM, Truax VM, Kim MB, Kuo KM, Wang T, Sum CS, Cvijic ME, Schroeder GM, Wilson LJ, Liotta DC.: Synthesis of Novel Tetrahydroisoquinoline CXCR4 Antagonists with Rigidified Side-Chains. ACS Med Chem Lett, Volume 9 (2), 2018";ChEMBL
MM472240;MM472240;Cc1cccnc1CN(C)CC1Cc2c(cccc2N2CCNCC2)CN1;PVNIDCOYVLXXDG-LJQANCHMSA-N;365.53;1.95;135314107;;;CHEMBL4169504;GENER;EPAM;25;0;"ph = 7.4, <a href=https://www.ebi.ac.uk/chembl/assay_report_card/CHEMBL4156818/  target=_blank>CHEMBL4156818</a>";;;;;;;;;-4.71;;;;;;;;;;;;"Nguyen HH, Kim MB, Wilson RJ, Butch CJ, Kuo KM, Miller EJ, Tahirovic YA, Jecs E, Truax VM, Wang T, Sum CS, Cvijic ME, Schroeder GM, Wilson LJ, Liotta DC.: Design, Synthesis, and Pharmacological Evaluation of Second-Generation Tetrahydroisoquinoline-Based CXCR4 Antagonists with Favorable ADME Properties. J Med Chem, Volume 61 (16), 2018";ChEMBL
MM473880;MM473880;O=C1c2ccc(NCCCO)cc2-c2nccc3cccc1c23;NTMYINMRVGBDLC-UHFFFAOYSA-N;304.35;3.24;57392241;;;CHEMBL1956556;BBB;EPAM;25;0;"<a href=https://www.ebi.ac.uk/chembl/assay_report_card/CHEMBL1960718/  target=_blank>CHEMBL1960718</a>";;;;;;;;;-5.43;;;;;;;;;;;;"Tang H, Zhao HT, Zhong SM, Wang ZY, Chen ZF, Liang H.: Novel oxoisoaporphine-based inhibitors of acetyl- and butyrylcholinesterase and acetylcholinesterase-induced beta-amyloid aggregation. Bioorg Med Chem Lett, Volume 22 (6), 2012";ChEMBL
MM473881;MM473881;O=C1c2ccc(NCCN3CCCC3)cc2-c2nccc3cccc1c23;JRWKFHNYNRFFOO-UHFFFAOYSA-N;343.43;3.95;57397534;;;CHEMBL1956557;BBB;EPAM;25;0;"<a href=https://www.ebi.ac.uk/chembl/assay_report_card/CHEMBL1960718/  target=_blank>CHEMBL1960718</a>";;;;;;;;;-5.15;;;;;;;;;;;;"Tang H, Zhao HT, Zhong SM, Wang ZY, Chen ZF, Liang H.: Novel oxoisoaporphine-based inhibitors of acetyl- and butyrylcholinesterase and acetylcholinesterase-induced beta-amyloid aggregation. Bioorg Med Chem Lett, Volume 22 (6), 2012";ChEMBL
MM473477;MM473477;CS(=O)(=O)c1nn(Cc2nc3cc(Cl)ccc3n2CCCCC(F)(F)F)c2cnccc12;WCMRGMBGNDBJFG-UHFFFAOYSA-N;485.92;4.62;;;;;GENER;EPAM;25;0;"<a href=https://www.ebi.ac.uk/chembl/assay_report_card/CHEMBL4132438/  target=_blank>CHEMBL4132438</a>";;;;;;;;;-6.02;;;;;;;;;;;;"Feng S, Li C, Chen D, Zheng X, Yun H, Gao L, Shen HC.: Discovery of methylsulfonyl indazoles as potent and orally active respiratory syncytial Virus(RSV) fusion inhibitors. Eur J Med Chem, Volume 138, 2017";ChEMBL
MM473882;MM473882;O=C1c2ccc(NCCCN3CCCC3)cc2-c2nccc3cccc1c23;AROJOJHHBFSORT-UHFFFAOYSA-N;357.46;4.34;57345526;;;CHEMBL1956558;BBB;EPAM;25;0;"<a href=https://www.ebi.ac.uk/chembl/assay_report_card/CHEMBL1960718/  target=_blank>CHEMBL1960718</a>";;;;;;;;;-5.55;;;;;;;;;;;;"Tang H, Zhao HT, Zhong SM, Wang ZY, Chen ZF, Liang H.: Novel oxoisoaporphine-based inhibitors of acetyl- and butyrylcholinesterase and acetylcholinesterase-induced beta-amyloid aggregation. Bioorg Med Chem Lett, Volume 22 (6), 2012";ChEMBL
MM472484;MM472484;CN(CC1Cc2c(cccc2N2CCN(c3ccccn3)CC2)CN1)C1CCCc2cccnc21;BYRBAVZUSYTLIS-SQHAQQRYSA-N;468.65;3.83;145954878;;;CHEMBL4169875;GENER;EPAM;25;0;"ph = 5.5, <a href=https://www.ebi.ac.uk/chembl/assay_report_card/CHEMBL4156819/  target=_blank>CHEMBL4156819</a>";;;;;;;;;-4.89;;;;;;;;;;;;"Nguyen HH, Kim MB, Wilson RJ, Butch CJ, Kuo KM, Miller EJ, Tahirovic YA, Jecs E, Truax VM, Wang T, Sum CS, Cvijic ME, Schroeder GM, Wilson LJ, Liotta DC.: Design, Synthesis, and Pharmacological Evaluation of Second-Generation Tetrahydroisoquinoline-Based CXCR4 Antagonists with Favorable ADME Properties. J Med Chem, Volume 61 (16), 2018";ChEMBL
MM473883;MM473883;O=C1c2ccc(NCCN3CCCCC3)cc2-c2nccc3cccc1c23;WWEVQCRCBCKZQS-UHFFFAOYSA-N;357.46;4.34;;;;;BBB;EPAM;25;0;"<a href=https://www.ebi.ac.uk/chembl/assay_report_card/CHEMBL1960718/  target=_blank>CHEMBL1960718</a>";;;;;;;;;-5;;;;;;;;;;;;"Tang H, Zhao HT, Zhong SM, Wang ZY, Chen ZF, Liang H.: Novel oxoisoaporphine-based inhibitors of acetyl- and butyrylcholinesterase and acetylcholinesterase-induced beta-amyloid aggregation. Bioorg Med Chem Lett, Volume 22 (6), 2012";ChEMBL
MM474604;MM474604;COc1cc2c(NC3CCN(C)CC3)cc(-c3ccc(C)o3)nc2cc1OCCCN1CCCC1;;478.64;5.18;118607432;;;CHEMBL4170114;GENER;EPAM;25;0;"<a href=https://www.ebi.ac.uk/chembl/assay_report_card/CHEMBL4195577/  target=_blank>CHEMBL4195577</a>";;;;;;;;;-5.89;;;;;;;;;;;;"Rabal O, Sánchez-Arias JA, San José-Enériz E, Agirre X, de Miguel I, Garate L, Miranda E, Sáez E, Roa S, Martínez-Climent JA, Liu Y, Wu W, Xu M, Prosper F, Oyarzabal J.: Detailed Exploration around 4-Aminoquinolines Chemical Space to Navigate the Lysine Methyltransferase G9a and DNA Methyltransferase Biological Spaces. J Med Chem, Volume 61 (15), 2018";ChEMBL
MM474604;MM474604;COc1cc2c(NC3CCN(C)CC3)cc(-c3ccc(C)o3)nc2cc1OCCCN1CCCC1;;478.64;5.18;118607432;;;CHEMBL4170114;GENER;EPAM;25;0;"<a href=https://www.ebi.ac.uk/chembl/assay_report_card/CHEMBL4137468/  target=_blank>CHEMBL4137468</a>";;;;;;;;;-5.89;;;;;;;;;;;;"Rabal O, San José-Enériz E, Agirre X, Sánchez-Arias JA, Vilas-Zornoza A, Ugarte A, de Miguel I, Miranda E, Garate L, Fraga M, Santamarina P, Fernandez Perez R, Ordoñez R, Sáez E, Roa S, García-Barchino MJ, Martínez-Climent JA, Liu Y, Wu W, Xu M, Prosper F, Oyarzabal J.: Discovery of Reversible DNA Methyltransferase and Lysine Methyltransferase G9a Inhibitors with Antitumoral in Vivo Efficacy. J Med Chem, Volume 61 (15), 2018";ChEMBL
MM473884;MM473884;O=C1c2ccc(NCCCN3CCCCC3)cc2-c2nccc3cccc1c23;CSINCOBQFMDGAE-UHFFFAOYSA-N;371.48;4.73;57345528;;;CHEMBL1956560;BBB;EPAM;25;0;"<a href=https://www.ebi.ac.uk/chembl/assay_report_card/CHEMBL1960718/  target=_blank>CHEMBL1960718</a>";;;;;;;;;-5.07;;;;;;;;;;;;"Tang H, Zhao HT, Zhong SM, Wang ZY, Chen ZF, Liang H.: Novel oxoisoaporphine-based inhibitors of acetyl- and butyrylcholinesterase and acetylcholinesterase-induced beta-amyloid aggregation. Bioorg Med Chem Lett, Volume 22 (6), 2012";ChEMBL
MM473849;MM473849;O=C(O)C1CN(Cc2ccc(CCc3cccc(C(F)(F)F)c3)cc2)C1;VETBKPDTHQZBKH-UHFFFAOYSA-N;363.38;4.01;;;;;BBB;EPAM;25;0;"<a href=https://www.ebi.ac.uk/chembl/assay_report_card/CHEMBL3744421/  target=_blank>CHEMBL3744421</a>";;;;;;;;;0.72;;;;;;;;;;;;"Hobson AD, Harris CM, van der Kam EL, Turner SC, Abibi A, Aguirre AL, Bousquet P, Kebede T, Konopacki DB, Gintant G, Kim Y, Larson K, Maull JW, Moore NS, Shi D, Shrestha A, Tang X, Zhang P, Sarris KK.: Discovery of A-971432, An Orally Bioavailable Selective Sphingosine-1-Phosphate Receptor 5 (S1P5) Agonist for the Potential Treatment of Neurodegenerative Disorders. J Med Chem, Volume 58 (23), 2015";ChEMBL
MM474315;MM474315;Cn1c(COc2cccc(C(=O)O)c2)nc2ccc(Oc3cccc(Cl)n3)cc21;YWSJFUQEEQUFAT-UHFFFAOYSA-N;409.83;4.69;145955603;;;CHEMBL4170351;GENER;EPAM;25;0;"<a href=https://www.ebi.ac.uk/chembl/assay_report_card/CHEMBL4157977/  target=_blank>CHEMBL4157977</a>";;;;;;;;;-5.12;;;;;;;;;;;;"Shinozuka T, Tsukada T, Fujii K, Tokumaru E, Shimada K, Onishi Y, Matsui Y, Wakimoto S, Kuroha M, Ogata T, Araki K, Ohsumi J, Sawamura R, Watanabe N, Yamamoto H, Fujimoto K, Tani Y, Mori M, Tanaka J.: Discovery of DS-6930, a potent selective PPARγ modulator. Part II: Lead optimization. Bioorg Med Chem, Volume 26 (18), 2018";ChEMBL
MM473848;MM473848;O=C(O)C1CN(Cc2ccc(OCc3ccccc3)cc2Cl)C1;QKQYCTJIQVLCOH-UHFFFAOYSA-N;331.8;3.44;;;;;BBB;EPAM;25;0;"<a href=https://www.ebi.ac.uk/chembl/assay_report_card/CHEMBL3744421/  target=_blank>CHEMBL3744421</a>";;;;;;;;;0.62;;;;;;;;;;;;"Hobson AD, Harris CM, van der Kam EL, Turner SC, Abibi A, Aguirre AL, Bousquet P, Kebede T, Konopacki DB, Gintant G, Kim Y, Larson K, Maull JW, Moore NS, Shi D, Shrestha A, Tang X, Zhang P, Sarris KK.: Discovery of A-971432, An Orally Bioavailable Selective Sphingosine-1-Phosphate Receptor 5 (S1P5) Agonist for the Potential Treatment of Neurodegenerative Disorders. J Med Chem, Volume 58 (23), 2015";ChEMBL
MM472243;MM472243;CN1CCN(c2cccc3c2CC(CN2CCCC4CCc5cccnc5C42)NC3)CC1;XIFOVNBYXGVAQJ-AIUHUKMKSA-N;431.63;3.25;135313730;;;CHEMBL4171365;GENER;EPAM;25;0;"ph = 7.4, <a href=https://www.ebi.ac.uk/chembl/assay_report_card/CHEMBL4156818/  target=_blank>CHEMBL4156818</a>";;;;;;;;;-4.49;;;;;;;;;;;;"Nguyen HH, Kim MB, Wilson RJ, Butch CJ, Kuo KM, Miller EJ, Tahirovic YA, Jecs E, Truax VM, Wang T, Sum CS, Cvijic ME, Schroeder GM, Wilson LJ, Liotta DC.: Design, Synthesis, and Pharmacological Evaluation of Second-Generation Tetrahydroisoquinoline-Based CXCR4 Antagonists with Favorable ADME Properties. J Med Chem, Volume 61 (16), 2018";ChEMBL
MM474633;MM474633;NC1CCC(CN(CC2Cc3ccccc3CN2)C2CCCc3cccnc32)CC1;GSKIEMCFCQSCTJ-KXMWUTRISA-N;404.6;3.99;142416967;;;CHEMBL4171643;GENER;EPAM;25;0;"<a href=https://www.ebi.ac.uk/chembl/assay_report_card/CHEMBL4144849/  target=_blank>CHEMBL4144849</a>";;;;;;;;;-5.92;;;;;;;;;;;;"Jecs E, Miller EJ, Wilson RJ, Nguyen HH, Tahirovic YA, Katzman BM, Truax VM, Kim MB, Kuo KM, Wang T, Sum CS, Cvijic ME, Schroeder GM, Wilson LJ, Liotta DC.: Synthesis of Novel Tetrahydroisoquinoline CXCR4 Antagonists with Rigidified Side-Chains. ACS Med Chem Lett, Volume 9 (2), 2018";ChEMBL
MM471731;MM471731;Cc1cc2c(cc1C)-c1oc(CNc3ccc(CN4CCOCC4)cc3)c(C)c1C(=O)C2=O;RUEULZNGJZLPLJ-UHFFFAOYSA-N;444.53;4.7;;;;;GENER;EPAM;25;0;"ph = 7.4, <a href=https://www.ebi.ac.uk/chembl/assay_report_card/CHEMBL4131170/  target=_blank>CHEMBL4131170</a>";;;;;;;;;-4.33;;;;;;;;;;;;"Zhang X, Bian J, Li X, Wu X, Dong Y, You Q.: 2-Substituted 3,7,8-trimethylnaphtho[1,2-b]furan-4,5-diones as specific L-shaped NQO1-mediated redox modulators for the treatment of non-small cell lung cancer. Eur J Med Chem, Volume 138, 2017";ChEMBL
MM473465;MM473465;CS(=O)(=O)CCn1c(Cn2cc(S(C)(=O)=O)c3ccccc32)nc2ccccc21;BTQIICSIWXXENL-UHFFFAOYSA-N;431.54;2.49;;;;;GENER;EPAM;25;0;"<a href=https://www.ebi.ac.uk/chembl/assay_report_card/CHEMBL4132438/  target=_blank>CHEMBL4132438</a>";;;;;;;;;-5.31;;;;;;;;;;;;"Feng S, Li C, Chen D, Zheng X, Yun H, Gao L, Shen HC.: Discovery of methylsulfonyl indazoles as potent and orally active respiratory syncytial Virus(RSV) fusion inhibitors. Eur J Med Chem, Volume 138, 2017";ChEMBL
MM471604;MM471604;CN1CC(c2c[nH]c3cc(-n4ccc(OCc5ccccc5)cc4=O)ccc23)C1;;385.47;3.93;46869326;;;CHEMBL1830042;GENER;EPAM;25;0;"<a href=https://www.ebi.ac.uk/chembl/assay_report_card/CHEMBL1833199/  target=_blank>CHEMBL1833199</a>";;;;;;;;;-4.79;;;;;;;;;;;;"Lu K, Jiang Y, Chen B, Eldemenky EM, Ma G, Packiarajan M, Chandrasena G, White AD, Jones KA, Li B, Hong SP.: Strategies to lower the Pgp efflux liability in a series of potent indole azetidine MCHR1 antagonists. Bioorg Med Chem Lett, Volume 21 (18), 2011";ChEMBL
MM473472;MM473472;CC(C)(O)CCn1c(Cn2nc(S(C)(=O)=O)c3ccncc32)nc2cc(Cl)ccc21;ONOKYKSBUJAQHT-UHFFFAOYSA-N;447.95;3.05;;;;;GENER;EPAM;25;0;"<a href=https://www.ebi.ac.uk/chembl/assay_report_card/CHEMBL4132438/  target=_blank>CHEMBL4132438</a>";;;;;;;;;-5.62;;;;;;;;;;;;"Feng S, Li C, Chen D, Zheng X, Yun H, Gao L, Shen HC.: Discovery of methylsulfonyl indazoles as potent and orally active respiratory syncytial Virus(RSV) fusion inhibitors. Eur J Med Chem, Volume 138, 2017";ChEMBL
MM471604;MM471604;CN1CC(c2c[nH]c3cc(-n4ccc(OCc5ccccc5)cc4=O)ccc23)C1;;385.47;3.93;46869326;;;CHEMBL1830042;GENER;EPAM;25;0;"ph = 7.4, <a href=https://www.ebi.ac.uk/chembl/assay_report_card/CHEMBL1833198/  target=_blank>CHEMBL1833198</a>";;;;;;;;;-5.31;;;;;;;;;;;;"Lu K, Jiang Y, Chen B, Eldemenky EM, Ma G, Packiarajan M, Chandrasena G, White AD, Jones KA, Li B, Hong SP.: Strategies to lower the Pgp efflux liability in a series of potent indole azetidine MCHR1 antagonists. Bioorg Med Chem Lett, Volume 21 (18), 2011";ChEMBL
MM473850;MM473850;O=C(O)C1CN(Cc2ccc(OCc3cccc(C(F)(F)F)c3)cc2F)C1;NKQKSPQAKIHFMF-UHFFFAOYSA-N;383.34;3.94;;;;;BBB;EPAM;25;0;"<a href=https://www.ebi.ac.uk/chembl/assay_report_card/CHEMBL3744421/  target=_blank>CHEMBL3744421</a>";;;;;;;;;0.97;;;;;;;;;;;;"Hobson AD, Harris CM, van der Kam EL, Turner SC, Abibi A, Aguirre AL, Bousquet P, Kebede T, Konopacki DB, Gintant G, Kim Y, Larson K, Maull JW, Moore NS, Shi D, Shrestha A, Tang X, Zhang P, Sarris KK.: Discovery of A-971432, An Orally Bioavailable Selective Sphingosine-1-Phosphate Receptor 5 (S1P5) Agonist for the Potential Treatment of Neurodegenerative Disorders. J Med Chem, Volume 58 (23), 2015";ChEMBL
MM474639;MM474639;N#Cc1ccc(NC2CCC(N(C(=O)NCc3ccccc3)c3ccc(-c4cccnc4)cc3)CC2)nc1;QQIVUNFCAOZJSD-KWQFAZJVSA-N;502.62;6.15;145952248;;;CHEMBL4172363;GENER;EPAM;25;0;"<a href=https://www.ebi.ac.uk/chembl/assay_report_card/CHEMBL4151503/  target=_blank>CHEMBL4151503</a>";;;;;;;;;-4.55;;;;;;;;;;;;"Ito M, Tanaka T, Toita A, Uchiyama N, Kokubo H, Morishita N, Klein MG, Zou H, Murakami M, Kondo M, Sameshima T, Araki S, Endo S, Kawamoto T, Morin GB, Aparicio SA, Nakanishi A, Maezaki H, Imaeda Y.: Discovery of 3-Benzyl-1-( trans-4-((5-cyanopyridin-2-yl)amino)cyclohexyl)-1-arylurea Derivatives as Novel and Selective Cyclin-Dependent Kinase 12 (CDK12) Inhibitors. J Med Chem, Volume 61 (17), 2018";ChEMBL
MM471728;MM471728;Cc1cc2c(cc1C)-c1oc(CNc3ccc(F)cc3)c(C)c1C(=O)C2=O;PAAJBITWSCFYNS-UHFFFAOYSA-N;363.39;5;;;;;GENER;EPAM;25;0;"ph = 7.4, <a href=https://www.ebi.ac.uk/chembl/assay_report_card/CHEMBL4131170/  target=_blank>CHEMBL4131170</a>";;;;;;;;;-4.38;;;;;;;;;;;;"Zhang X, Bian J, Li X, Wu X, Dong Y, You Q.: 2-Substituted 3,7,8-trimethylnaphtho[1,2-b]furan-4,5-diones as specific L-shaped NQO1-mediated redox modulators for the treatment of non-small cell lung cancer. Eur J Med Chem, Volume 138, 2017";ChEMBL
MM471739;MM471739;Cc1cc(NCCN2CCCCC2)nc2ccc(NC(=O)c3ccc(Cl)c(Cl)c3)cc12;SIOPPTKDMIHEDM-UHFFFAOYSA-N;457.41;6;;;;;GENER;EPAM;25;0;"ph = 7.4, <a href=https://www.ebi.ac.uk/chembl/assay_report_card/CHEMBL4134985/  target=_blank>CHEMBL4134985</a>";;;;;;;;;-4.33;;;;;;;;;;;;"Jiang F, Guo AP, Xu JC, Wang HJ, Mo XF, You QD, Xu XL.: Identification and optimization of novel 6-acylamino-2-aminoquinolines as potent Hsp90 C-terminal inhibitors. Eur J Med Chem, Volume 141, 2017";ChEMBL
MM472238;MM472238;OCCN(CC1Cc2c(cccc2N2CCNCC2)CN1)C1CCCc2cccnc21;SIHICXDUEJZQEF-QPPBQGQZSA-N;421.59;1.88;145949907;;;CHEMBL4172898;GENER;EPAM;25;0;"ph = 7.4, <a href=https://www.ebi.ac.uk/chembl/assay_report_card/CHEMBL4156818/  target=_blank>CHEMBL4156818</a>";;;;;;;;;-5.96;;;;;;;;;;;;"Nguyen HH, Kim MB, Wilson RJ, Butch CJ, Kuo KM, Miller EJ, Tahirovic YA, Jecs E, Truax VM, Wang T, Sum CS, Cvijic ME, Schroeder GM, Wilson LJ, Liotta DC.: Design, Synthesis, and Pharmacological Evaluation of Second-Generation Tetrahydroisoquinoline-Based CXCR4 Antagonists with Favorable ADME Properties. J Med Chem, Volume 61 (16), 2018";ChEMBL
MM474074;MM474074;CC1=C[C@@H]2Cc3nc4cc(Cl)ccc4c(N)c3[C@H](C1)C2;UKCBMHDZLYYTMI-WDEREUQCSA-N;284.79;4.47;;;;;BBB;EPAM;25;0;"<a href=https://www.ebi.ac.uk/chembl/assay_report_card/CHEMBL3238633/  target=_blank>CHEMBL3238633</a>";;;;;;;;;-4.63;;;;;;;;;;;;"Viayna E, Sola I, Bartolini M, De Simone A, Tapia-Rojas C, Serrano FG, Sabaté R, Juárez-Jiménez J, Pérez B, Luque FJ, Andrisano V, Clos MV, Inestrosa NC, Muñoz-Torrero D.: Synthesis and multitarget biological profiling of a novel family of rhein derivatives as disease-modifying anti-Alzheimer agents. J Med Chem, Volume 57 (6), 2014";ChEMBL
MM474304;MM474304;Cc1ccc(Oc2ccc3nc(COc4cccc(C(=O)O)c4)n(C)c3n2)cc1F;JQXZOYWNDOHYKA-UHFFFAOYSA-N;407.4;4.49;68661925;;;CHEMBL4173064;GENER;EPAM;25;0;"<a href=https://www.ebi.ac.uk/chembl/assay_report_card/CHEMBL4157977/  target=_blank>CHEMBL4157977</a>";;;;;;;;;-4.83;;;;;;;;;;;;"Shinozuka T, Tsukada T, Fujii K, Tokumaru E, Shimada K, Onishi Y, Matsui Y, Wakimoto S, Kuroha M, Ogata T, Araki K, Ohsumi J, Sawamura R, Watanabe N, Yamamoto H, Fujimoto K, Tani Y, Mori M, Tanaka J.: Discovery of DS-6930, a potent selective PPARγ modulator. Part II: Lead optimization. Bioorg Med Chem, Volume 26 (18), 2018";ChEMBL
MM474638;MM474638;Cn1cc(-c2ccc(N(C(=O)NCc3ccccc3)C3CCC(Nc4ccc(C#N)cn4)CC3)cc2)cn1;KHMZQQYEYPDOBI-FBSWEULCSA-N;505.63;5.49;145950134;;;CHEMBL4173254;GENER;EPAM;25;0;"<a href=https://www.ebi.ac.uk/chembl/assay_report_card/CHEMBL4151503/  target=_blank>CHEMBL4151503</a>";;;;;;;;;-4.54;;;;;;;;;;;;"Ito M, Tanaka T, Toita A, Uchiyama N, Kokubo H, Morishita N, Klein MG, Zou H, Murakami M, Kondo M, Sameshima T, Araki S, Endo S, Kawamoto T, Morin GB, Aparicio SA, Nakanishi A, Maezaki H, Imaeda Y.: Discovery of 3-Benzyl-1-( trans-4-((5-cyanopyridin-2-yl)amino)cyclohexyl)-1-arylurea Derivatives as Novel and Selective Cyclin-Dependent Kinase 12 (CDK12) Inhibitors. J Med Chem, Volume 61 (17), 2018";ChEMBL
MM471004;MM471004;CN1CCc2c(c3ccccc3n2Cc2ccc(C(=O)NO)cc2)C1;GOVYBPLHWIEHEJ-UHFFFAOYSA-N;335.41;2.8;49850262;;;CHEMBL2018302;BBB;EPAM;25;0;"<a href=https://www.ebi.ac.uk/chembl/assay_report_card/CHEMBL4198925/  target=_blank>CHEMBL4198925</a>";;;;;;;;;-5.75;;;;;;;;;;;;"Rabal O, Sánchez-Arias JA, Cuadrado-Tejedor M, de Miguel I, Pérez-González M, García-Barroso C, Ugarte A, Estella-Hermoso de Mendoza A, Sáez E, Espelosin M, Ursua S, Haizhong T, Wei W, Musheng X, Garcia-Osta A, Oyarzabal J.: Design, synthesis, biological evaluation and in vivo testing of dual phosphodiesterase 5 (PDE5) and histone deacetylase 6 (HDAC6)-selective inhibitors for the treatment of Alzheimer's disease. Eur J Med Chem, Volume 150, 2018";ChEMBL
MM473474;MM473474;CS(=O)(=O)c1nn(Cc2nc3cc(Cl)ccc3n2CCOCCO)c2cnccc12;LQPNESYHCCMBLU-UHFFFAOYSA-N;449.92;1.9;;;;;GENER;EPAM;25;0;"<a href=https://www.ebi.ac.uk/chembl/assay_report_card/CHEMBL4132438/  target=_blank>CHEMBL4132438</a>";;;;;;;;;-5.51;;;;;;;;;;;;"Feng S, Li C, Chen D, Zheng X, Yun H, Gao L, Shen HC.: Discovery of methylsulfonyl indazoles as potent and orally active respiratory syncytial Virus(RSV) fusion inhibitors. Eur J Med Chem, Volume 138, 2017";ChEMBL
MM473928;MM473928;"CC(C)(C)c1cc(/C=[N+](\[O-])C(C)(C)C)cc(C(C)(C)C)c1O";LGQJYECHAHZBBE-NDENLUEZSA-N;305.46;4.71;;;;;BBB;EPAM;25;+1,-1;"<a href=https://www.ebi.ac.uk/chembl/assay_report_card/CHEMBL2162575/  target=_blank>CHEMBL2162575</a>";;;;;;;;;-4.99;;;;;;;;;;;;"Chavarría C, Perez DI, Pérez C, Morales Garcia JA, Alonso-Gil S, Pérez-Castillo A, Gil C, Souza JM, Porcal W.: Microwave-assisted synthesis of hydroxyphenyl nitrones with protective action against oxidative stress. Eur J Med Chem, Volume 58, 2012";ChEMBL
MM472236;MM472236;CC(C)N(CC1Cc2c(cccc2N2CCNCC2)CN1)C1CCCc2cccnc21;MOEVWTMNJQTKGX-RDGATRHJSA-N;419.62;3.29;145949949;;;CHEMBL4173777;GENER;EPAM;25;0;"ph = 7.4, <a href=https://www.ebi.ac.uk/chembl/assay_report_card/CHEMBL4156818/  target=_blank>CHEMBL4156818</a>";;;;;;;;;-5.8;;;;;;;;;;;;"Nguyen HH, Kim MB, Wilson RJ, Butch CJ, Kuo KM, Miller EJ, Tahirovic YA, Jecs E, Truax VM, Wang T, Sum CS, Cvijic ME, Schroeder GM, Wilson LJ, Liotta DC.: Design, Synthesis, and Pharmacological Evaluation of Second-Generation Tetrahydroisoquinoline-Based CXCR4 Antagonists with Favorable ADME Properties. J Med Chem, Volume 61 (16), 2018";ChEMBL
MM474309;MM474309;Cn1c(COc2cccc(C(=O)O)c2)nc2ccc(Oc3ccc4c(c3)OCC4)nc21;ZECLUEQHECZEQQ-UHFFFAOYSA-N;417.42;3.97;145951025;;;CHEMBL4173802;GENER;EPAM;25;0;"<a href=https://www.ebi.ac.uk/chembl/assay_report_card/CHEMBL4157977/  target=_blank>CHEMBL4157977</a>";;;;;;;;;-5.04;;;;;;;;;;;;"Shinozuka T, Tsukada T, Fujii K, Tokumaru E, Shimada K, Onishi Y, Matsui Y, Wakimoto S, Kuroha M, Ogata T, Araki K, Ohsumi J, Sawamura R, Watanabe N, Yamamoto H, Fujimoto K, Tani Y, Mori M, Tanaka J.: Discovery of DS-6930, a potent selective PPARγ modulator. Part II: Lead optimization. Bioorg Med Chem, Volume 26 (18), 2018";ChEMBL
MM471825;MM471825;"O=[N+]([O-])OCCOc1ccc(/C=[N+](\[O-])Cc2ccccc2)cc1";ILUCBKSXBIRUOR-LGMDPLHJSA-N;316.31;2.4;;;;;BBB;EPAM;25;+2,-2;"ph = 7.4, <a href=https://www.ebi.ac.uk/chembl/assay_report_card/CHEMBL2091153/  target=_blank>CHEMBL2091153</a>";;;;;;;;;-4.77;;;;;;;;;;;;"Chioua M, Sucunza D, Soriano E, Hadjipavlou-Litina D, Alcázar A, Ayuso I, Oset-Gasque MJ, González MP, Monjas L, Rodríguez-Franco MI, Marco-Contelles J, Samadi A.: Α-aryl-N-alkyl nitrones, as potential agents for stroke treatment: synthesis, theoretical calculations, antioxidant, anti-inflammatory, neuroprotective, and brain-blood barrier permeability properties. J Med Chem, Volume 55 (1), 2012";ChEMBL
MM473924;MM473924;COc1ccc(-c2cc(NC(=O)CCCCN3CCCN(C(C)=O)CC3)n[nH]2)cc1;LKMWIEHGNOUIAH-UHFFFAOYSA-N;413.52;2.75;24860582;;;CHEMBL2086582;BBB;EPAM;25;0;"<a href=https://www.ebi.ac.uk/chembl/assay_report_card/CHEMBL2091625/  target=_blank>CHEMBL2091625</a>";;;;;;;;;-5.7;;;;;;;;;;;;"Zanaletti R, Bettinetti L, Castaldo C, Cocconcelli G, Comery T, Dunlop J, Gaviraghi G, Ghiron C, Haydar SN, Jow F, Maccari L, Micco I, Nencini A, Scali C, Turlizzi E, Valacchi M.: Discovery of a novel alpha-7 nicotinic acetylcholine receptor agonist series and characterization of the potent, selective, and orally efficacious agonist 5-(4-acetyl[1,4]diazepan-1-yl)pentanoic acid [5-(4-methoxyphenyl)-1H-pyrazol-3-yl] amide (SEN15924, WAY-361789). J Med Chem, Volume 55 (10), 2012";ChEMBL
MM473469;MM473469;CS(=O)(=O)CCCn1c(Cn2nc(S(C)(=O)=O)c3ccncc32)nc2cc(Cl)ccc21;CKZJUYRQRNRQHH-UHFFFAOYSA-N;481.99;2.32;;;;;GENER;EPAM;25;0;"<a href=https://www.ebi.ac.uk/chembl/assay_report_card/CHEMBL4132438/  target=_blank>CHEMBL4132438</a>";;;;;;;;;-5.81;;;;;;;;;;;;"Feng S, Li C, Chen D, Zheng X, Yun H, Gao L, Shen HC.: Discovery of methylsulfonyl indazoles as potent and orally active respiratory syncytial Virus(RSV) fusion inhibitors. Eur J Med Chem, Volume 138, 2017";ChEMBL
MM473925;MM473925;COc1ccc(-c2[nH]nc(NC(=O)CCCCN3CCCN(C(C)=O)CC3)c2C)cc1;AWJOXQPKTMMFHH-UHFFFAOYSA-N;427.55;3.06;57523417;;;CHEMBL2086583;BBB;EPAM;25;0;"<a href=https://www.ebi.ac.uk/chembl/assay_report_card/CHEMBL2091625/  target=_blank>CHEMBL2091625</a>";;;;;;;;;-5.7;;;;;;;;;;;;"Zanaletti R, Bettinetti L, Castaldo C, Cocconcelli G, Comery T, Dunlop J, Gaviraghi G, Ghiron C, Haydar SN, Jow F, Maccari L, Micco I, Nencini A, Scali C, Turlizzi E, Valacchi M.: Discovery of a novel alpha-7 nicotinic acetylcholine receptor agonist series and characterization of the potent, selective, and orally efficacious agonist 5-(4-acetyl[1,4]diazepan-1-yl)pentanoic acid [5-(4-methoxyphenyl)-1H-pyrazol-3-yl] amide (SEN15924, WAY-361789). J Med Chem, Volume 55 (10), 2012";ChEMBL
MM471735;MM471735;CCN1CCN(c2cc(C)c3cc(NC(=O)c4ccc(Cl)c(Cl)c4)ccc3n2)CC1;RUVCLSMODYLUHW-UHFFFAOYSA-N;443.38;5.24;;;;;GENER;EPAM;25;0;"ph = 7.4, <a href=https://www.ebi.ac.uk/chembl/assay_report_card/CHEMBL4134985/  target=_blank>CHEMBL4134985</a>";;;;;;;;;-4.59;;;;;;;;;;;;"Jiang F, Guo AP, Xu JC, Wang HJ, Mo XF, You QD, Xu XL.: Identification and optimization of novel 6-acylamino-2-aminoquinolines as potent Hsp90 C-terminal inhibitors. Eur J Med Chem, Volume 141, 2017";ChEMBL
MM474323;MM474323;Cc1ccc2nc(N3CCCc4ccc(F)cc4C3)cc(NCC3(N)COC3)c2c1;BNHKKAWGNKMZHC-UHFFFAOYSA-N;406.51;3.77;145952123;;;CHEMBL4174690;GENER;EPAM;25;0;"<a href=https://www.ebi.ac.uk/chembl/assay_report_card/CHEMBL4158586/  target=_blank>CHEMBL4158586</a>";;;;;;;;;-6.14;;;;;;;;;;;;"Zheng X, Liang C, Wang L, Wang B, Liu Y, Feng S, Wu JZ, Gao L, Feng L, Chen L, Guo T, Shen HC, Yun H.: Discovery of Benzoazepinequinoline (BAQ) Derivatives as Novel, Potent, Orally Bioavailable Respiratory Syncytial Virus Fusion Inhibitors. J Med Chem, Volume 61 (22), 2018";ChEMBL
MM473923;MM473923;O=C(CCCCN1CCCCC1)Nc1cc(-c2ccncc2)[nH]n1;DWJPLBZSCNLIAR-UHFFFAOYSA-N;327.43;3.07;57523384;;;CHEMBL2087449;BBB;EPAM;25;0;"<a href=https://www.ebi.ac.uk/chembl/assay_report_card/CHEMBL2091625/  target=_blank>CHEMBL2091625</a>";;;;;;;;;-5.7;;;;;;;;;;;;"Zanaletti R, Bettinetti L, Castaldo C, Cocconcelli G, Comery T, Dunlop J, Gaviraghi G, Ghiron C, Haydar SN, Jow F, Maccari L, Micco I, Nencini A, Scali C, Turlizzi E, Valacchi M.: Discovery of a novel alpha-7 nicotinic acetylcholine receptor agonist series and characterization of the potent, selective, and orally efficacious agonist 5-(4-acetyl[1,4]diazepan-1-yl)pentanoic acid [5-(4-methoxyphenyl)-1H-pyrazol-3-yl] amide (SEN15924, WAY-361789). J Med Chem, Volume 55 (10), 2012";ChEMBL
MM474640;MM474640;Cn1ccc(-c2ccc(N(C(=O)NCc3ccccc3)C3CCC(Nc4ccc(C#N)cn4)CC3)cc2)cc1=O;GXGRNWVRDQTYLG-KWQFAZJVSA-N;532.65;5.46;145949983;;;CHEMBL4174715;GENER;EPAM;25;0;"<a href=https://www.ebi.ac.uk/chembl/assay_report_card/CHEMBL4151503/  target=_blank>CHEMBL4151503</a>";;;;;;;;;-4.61;;;;;;;;;;;;"Ito M, Tanaka T, Toita A, Uchiyama N, Kokubo H, Morishita N, Klein MG, Zou H, Murakami M, Kondo M, Sameshima T, Araki S, Endo S, Kawamoto T, Morin GB, Aparicio SA, Nakanishi A, Maezaki H, Imaeda Y.: Discovery of 3-Benzyl-1-( trans-4-((5-cyanopyridin-2-yl)amino)cyclohexyl)-1-arylurea Derivatives as Novel and Selective Cyclin-Dependent Kinase 12 (CDK12) Inhibitors. J Med Chem, Volume 61 (17), 2018";ChEMBL
MM474626;MM474626;"C/C(CN(C[C@H]1Cc2ccccc2CN1)[C@H]1CCCc2cccnc21)=C(\F)CN";;394.54;3.68;;;;CHEMBL4174727;GENER;EPAM;25;0;"<a href=https://www.ebi.ac.uk/chembl/assay_report_card/CHEMBL4144849/  target=_blank>CHEMBL4144849</a>";;;;;;;;;-4.26;;;;;;;;;;;;"Jecs E, Miller EJ, Wilson RJ, Nguyen HH, Tahirovic YA, Katzman BM, Truax VM, Kim MB, Kuo KM, Wang T, Sum CS, Cvijic ME, Schroeder GM, Wilson LJ, Liotta DC.: Synthesis of Novel Tetrahydroisoquinoline CXCR4 Antagonists with Rigidified Side-Chains. ACS Med Chem Lett, Volume 9 (2), 2018";ChEMBL
MM473916;MM473916;N#Cc1c(N)nc(NCCC2CCN(Cc3ccccc3)CC2)c(C#N)c1-c1ccccc1;XDYVKYBTRLGBBU-UHFFFAOYSA-N;436.56;4.79;;;;;BBB;EPAM;25;0;"<a href=https://www.ebi.ac.uk/chembl/assay_report_card/CHEMBL2090225/  target=_blank>CHEMBL2090225</a>";;;;;;;;;-4.47;;;;;;;;;;;;"Samadi A, Estrada M, Pérez C, Rodríguez-Franco MI, Iriepa I, Moraleda I, Chioua M, Marco-Contelles J.: Pyridonepezils, new dual AChE inhibitors as potential drugs for the treatment of Alzheimer's disease: synthesis, biological assessment, and molecular modeling. Eur J Med Chem, Volume 57, 2012";ChEMBL
MM474626;MM474626;"C/C(CN(C[C@H]1Cc2ccccc2CN1)[C@H]1CCCc2cccnc21)=C(\F)CN";;394.54;3.68;;;;CHEMBL4174727;GENER;EPAM;25;0;"<a href=https://www.ebi.ac.uk/chembl/assay_report_card/CHEMBL4144850/  target=_blank>CHEMBL4144850</a>";;;;;;;;;-4.55;;;;;;;;;;;;"Jecs E, Miller EJ, Wilson RJ, Nguyen HH, Tahirovic YA, Katzman BM, Truax VM, Kim MB, Kuo KM, Wang T, Sum CS, Cvijic ME, Schroeder GM, Wilson LJ, Liotta DC.: Synthesis of Novel Tetrahydroisoquinoline CXCR4 Antagonists with Rigidified Side-Chains. ACS Med Chem Lett, Volume 9 (2), 2018";ChEMBL
MM473917;MM473917;N#Cc1c(N)nc(NCCCC2CCN(Cc3ccccc3)CC2)c(C#N)c1-c1ccccc1;RPCOLXBXNDZKDX-UHFFFAOYSA-N;450.59;5.18;;;;;BBB;EPAM;25;0;"<a href=https://www.ebi.ac.uk/chembl/assay_report_card/CHEMBL2090225/  target=_blank>CHEMBL2090225</a>";;;;;;;;;-4.5;;;;;;;;;;;;"Samadi A, Estrada M, Pérez C, Rodríguez-Franco MI, Iriepa I, Moraleda I, Chioua M, Marco-Contelles J.: Pyridonepezils, new dual AChE inhibitors as potential drugs for the treatment of Alzheimer's disease: synthesis, biological assessment, and molecular modeling. Eur J Med Chem, Volume 57, 2012";ChEMBL
MM474312;MM474312;Cn1c(COc2cccc(C(=O)O)c2)nc2cnc(Oc3ccc4c(c3)OCC4)cc21;HGLUSLQAEOTCFZ-UHFFFAOYSA-N;417.42;3.97;145951689;;;CHEMBL4174837;GENER;EPAM;25;0;"<a href=https://www.ebi.ac.uk/chembl/assay_report_card/CHEMBL4157977/  target=_blank>CHEMBL4157977</a>";;;;;;;;;-5.44;;;;;;;;;;;;"Shinozuka T, Tsukada T, Fujii K, Tokumaru E, Shimada K, Onishi Y, Matsui Y, Wakimoto S, Kuroha M, Ogata T, Araki K, Ohsumi J, Sawamura R, Watanabe N, Yamamoto H, Fujimoto K, Tani Y, Mori M, Tanaka J.: Discovery of DS-6930, a potent selective PPARγ modulator. Part II: Lead optimization. Bioorg Med Chem, Volume 26 (18), 2018";ChEMBL
MM473918;MM473918;N#Cc1c(N)nc(NCCCCC2CCN(Cc3ccccc3)CC2)c(C#N)c1-c1ccccc1;DVFDTYFATLFXHU-UHFFFAOYSA-N;464.62;5.57;;;;;BBB;EPAM;25;0;"<a href=https://www.ebi.ac.uk/chembl/assay_report_card/CHEMBL2090225/  target=_blank>CHEMBL2090225</a>";;;;;;;;;-4.59;;;;;;;;;;;;"Samadi A, Estrada M, Pérez C, Rodríguez-Franco MI, Iriepa I, Moraleda I, Chioua M, Marco-Contelles J.: Pyridonepezils, new dual AChE inhibitors as potential drugs for the treatment of Alzheimer's disease: synthesis, biological assessment, and molecular modeling. Eur J Med Chem, Volume 57, 2012";ChEMBL
MM473919;MM473919;N#Cc1cc(C#N)c(NC2CCN(Cc3ccccc3)CC2)nc1N;CUQAAIMMMVTGCT-UHFFFAOYSA-N;332.41;2.48;;;;;BBB;EPAM;25;0;"<a href=https://www.ebi.ac.uk/chembl/assay_report_card/CHEMBL2090225/  target=_blank>CHEMBL2090225</a>";;;;;;;;;-4.77;;;;;;;;;;;;"Samadi A, Estrada M, Pérez C, Rodríguez-Franco MI, Iriepa I, Moraleda I, Chioua M, Marco-Contelles J.: Pyridonepezils, new dual AChE inhibitors as potential drugs for the treatment of Alzheimer's disease: synthesis, biological assessment, and molecular modeling. Eur J Med Chem, Volume 57, 2012";ChEMBL
MM474634;MM474634;NC1CCC(N(CC2Cc3ccccc3CN2)C2CCCc3cccnc32)CC1;;390.58;3.75;142416884;;;CHEMBL4175088;GENER;EPAM;25;0;"<a href=https://www.ebi.ac.uk/chembl/assay_report_card/CHEMBL4144849/  target=_blank>CHEMBL4144849</a>";;;;;;;;;-5.43;;;;;;;;;;;;"Jecs E, Miller EJ, Wilson RJ, Nguyen HH, Tahirovic YA, Katzman BM, Truax VM, Kim MB, Kuo KM, Wang T, Sum CS, Cvijic ME, Schroeder GM, Wilson LJ, Liotta DC.: Synthesis of Novel Tetrahydroisoquinoline CXCR4 Antagonists with Rigidified Side-Chains. ACS Med Chem Lett, Volume 9 (2), 2018";ChEMBL
MM473920;MM473920;N#Cc1cc(C#N)c(NCCC2CCN(Cc3ccccc3)CC2)nc1N;PNZGBLIDSQOOGI-UHFFFAOYSA-N;360.47;3.12;;;;;BBB;EPAM;25;0;"<a href=https://www.ebi.ac.uk/chembl/assay_report_card/CHEMBL2090225/  target=_blank>CHEMBL2090225</a>";;;;;;;;;-4.84;;;;;;;;;;;;"Samadi A, Estrada M, Pérez C, Rodríguez-Franco MI, Iriepa I, Moraleda I, Chioua M, Marco-Contelles J.: Pyridonepezils, new dual AChE inhibitors as potential drugs for the treatment of Alzheimer's disease: synthesis, biological assessment, and molecular modeling. Eur J Med Chem, Volume 57, 2012";ChEMBL
MM474634;MM474634;NC1CCC(N(CC2Cc3ccccc3CN2)C2CCCc3cccnc32)CC1;;390.58;3.75;142416884;;;CHEMBL4175088;GENER;EPAM;25;0;"<a href=https://www.ebi.ac.uk/chembl/assay_report_card/CHEMBL4144850/  target=_blank>CHEMBL4144850</a>";;;;;;;;;-6.22;;;;;;;;;;;;"Jecs E, Miller EJ, Wilson RJ, Nguyen HH, Tahirovic YA, Katzman BM, Truax VM, Kim MB, Kuo KM, Wang T, Sum CS, Cvijic ME, Schroeder GM, Wilson LJ, Liotta DC.: Synthesis of Novel Tetrahydroisoquinoline CXCR4 Antagonists with Rigidified Side-Chains. ACS Med Chem Lett, Volume 9 (2), 2018";ChEMBL
MM473921;MM473921;N#Cc1cc(C#N)c(NCCCC2CCN(Cc3ccccc3)CC2)nc1N;LQXBMNZBJKBXIZ-UHFFFAOYSA-N;374.49;3.51;;;;;BBB;EPAM;25;0;"<a href=https://www.ebi.ac.uk/chembl/assay_report_card/CHEMBL2090225/  target=_blank>CHEMBL2090225</a>";;;;;;;;;-4.68;;;;;;;;;;;;"Samadi A, Estrada M, Pérez C, Rodríguez-Franco MI, Iriepa I, Moraleda I, Chioua M, Marco-Contelles J.: Pyridonepezils, new dual AChE inhibitors as potential drugs for the treatment of Alzheimer's disease: synthesis, biological assessment, and molecular modeling. Eur J Med Chem, Volume 57, 2012";ChEMBL
MM472819;MM472819;CCS(=O)(=O)c1ccc(CC(=O)Nc2cnc(OC(C)c3ccccc3)c(Cl)c2)cc1;VMHNMQCWPLURSW-INIZCTEOSA-N;458.97;4.85;134693870;;;CHEMBL4175305;GENER;EPAM;25;0;"<a href=https://www.ebi.ac.uk/chembl/assay_report_card/CHEMBL4137938/  target=_blank>CHEMBL4137938</a>";;;;;;;;;-4.2;;;;;;;;;;;;"Carcache DA, Vulpetti A, Kallen J, Mattes H, Orain D, Stringer R, Vangrevelinghe E, Wolf RM, Kaupmann K, Ottl J, Dawson J, Cooke NG, Hoegenauer K, Billich A, Wagner J, Guntermann C, Hintermann S.: Optimizing a Weakly Binding Fragment into a Potent RORγt Inverse Agonist with Efficacy in an in Vivo Inflammation Model. J Med Chem, Volume 61 (15), 2018";ChEMBL
MM473922;MM473922;N#Cc1cc(C#N)c(NCCCCC2CCN(Cc3ccccc3)CC2)nc1N;LZUQODKACLHUIP-UHFFFAOYSA-N;388.52;3.9;;;;;BBB;EPAM;25;0;"<a href=https://www.ebi.ac.uk/chembl/assay_report_card/CHEMBL2090225/  target=_blank>CHEMBL2090225</a>";;;;;;;;;-4.67;;;;;;;;;;;;"Samadi A, Estrada M, Pérez C, Rodríguez-Franco MI, Iriepa I, Moraleda I, Chioua M, Marco-Contelles J.: Pyridonepezils, new dual AChE inhibitors as potential drugs for the treatment of Alzheimer's disease: synthesis, biological assessment, and molecular modeling. Eur J Med Chem, Volume 57, 2012";ChEMBL
MM473467;MM473467;CN(C)S(=O)(=O)c1cn(Cc2nc3cc(Cl)ccc3n2CCCS(C)(=O)=O)c2ccccc12;KXEBAHZXFYBNHJ-UHFFFAOYSA-N;509.05;3.38;;;;;GENER;EPAM;25;0;"<a href=https://www.ebi.ac.uk/chembl/assay_report_card/CHEMBL4132438/  target=_blank>CHEMBL4132438</a>";;;;;;;;;-5.81;;;;;;;;;;;;"Feng S, Li C, Chen D, Zheng X, Yun H, Gao L, Shen HC.: Discovery of methylsulfonyl indazoles as potent and orally active respiratory syncytial Virus(RSV) fusion inhibitors. Eur J Med Chem, Volume 138, 2017";ChEMBL
MM472002;MM472002;CC1NCc2cc(-c3ccc4c(=O)c(C(=O)O)cn(C5CC5)c4c3OC(F)F)ccc21;;426.42;4.47;124093;;;CHEMBL215303;BBB;EPAM;25;0;"<a href=https://www.ebi.ac.uk/chembl/assay_report_card/CHEMBL3994367/  target=_blank>CHEMBL3994367</a>";;;;;;;;;-6.26;;;;;;;;;;;;"Luo L, Li Y, Qiang X, Cao Z, Xu R, Yang X, Xiao G, Song Q, Tan Z, Deng Y.: Multifunctional thioxanthone derivatives with acetylcholinesterase, monoamine oxidases and β-amyloid aggregation inhibitory activities as potential agents against Alzheimer's disease. Bioorg Med Chem, Volume 25 (6), 2017";ChEMBL
MM474629;MM474629;CC(CN)=C(F)CN(CC1Cc2ccccc2CN1)C1CCCc2cccnc21;VUKMAAVKUIIBCS-XXGJDRSASA-N;394.54;3.68;145951963;;;CHEMBL4175500;GENER;EPAM;25;0;"<a href=https://www.ebi.ac.uk/chembl/assay_report_card/CHEMBL4144849/  target=_blank>CHEMBL4144849</a>";;;;;;;;;-4.66;;;;;;;;;;;;"Jecs E, Miller EJ, Wilson RJ, Nguyen HH, Tahirovic YA, Katzman BM, Truax VM, Kim MB, Kuo KM, Wang T, Sum CS, Cvijic ME, Schroeder GM, Wilson LJ, Liotta DC.: Synthesis of Novel Tetrahydroisoquinoline CXCR4 Antagonists with Rigidified Side-Chains. ACS Med Chem Lett, Volume 9 (2), 2018";ChEMBL
MM472002;MM472002;CC1NCc2cc(-c3ccc4c(=O)c(C(=O)O)cn(C5CC5)c4c3OC(F)F)ccc21;;426.42;4.47;124093;;;CHEMBL215303;BBB;EPAM;25;0;"ph = 7.4, <a href=https://www.ebi.ac.uk/chembl/assay_report_card/CHEMBL3994366/  target=_blank>CHEMBL3994366</a>";;;;;;;;;-6.05;;;;;;;;;;;;"Luo L, Li Y, Qiang X, Cao Z, Xu R, Yang X, Xiao G, Song Q, Tan Z, Deng Y.: Multifunctional thioxanthone derivatives with acetylcholinesterase, monoamine oxidases and β-amyloid aggregation inhibitory activities as potential agents against Alzheimer's disease. Bioorg Med Chem, Volume 25 (6), 2017";ChEMBL
MM473473;MM473473;CC(C)(O)CCCn1c(Cn2nc(S(C)(=O)=O)c3ccncc32)nc2cc(Cl)ccc21;XPHPTPUAKPYADB-UHFFFAOYSA-N;461.98;3.44;;;;;GENER;EPAM;25;0;"<a href=https://www.ebi.ac.uk/chembl/assay_report_card/CHEMBL4132438/  target=_blank>CHEMBL4132438</a>";;;;;;;;;-5.59;;;;;;;;;;;;"Feng S, Li C, Chen D, Zheng X, Yun H, Gao L, Shen HC.: Discovery of methylsulfonyl indazoles as potent and orally active respiratory syncytial Virus(RSV) fusion inhibitors. Eur J Med Chem, Volume 138, 2017";ChEMBL
MM472237;MM472237;c1cnc2c(c1)CCCC2N(CC1CCCCC1)CC1Cc2c(cccc2N2CCNCC2)CN1;RNLVYINGLBPILI-UHSQPCAPSA-N;473.71;4.47;145973146;;;CHEMBL4176285;GENER;EPAM;25;0;"ph = 7.4, <a href=https://www.ebi.ac.uk/chembl/assay_report_card/CHEMBL4156818/  target=_blank>CHEMBL4156818</a>";;;;;;;;;-6.05;;;;;;;;;;;;"Nguyen HH, Kim MB, Wilson RJ, Butch CJ, Kuo KM, Miller EJ, Tahirovic YA, Jecs E, Truax VM, Wang T, Sum CS, Cvijic ME, Schroeder GM, Wilson LJ, Liotta DC.: Design, Synthesis, and Pharmacological Evaluation of Second-Generation Tetrahydroisoquinoline-Based CXCR4 Antagonists with Favorable ADME Properties. J Med Chem, Volume 61 (16), 2018";ChEMBL
MM471830;MM471830;CCN1CCN(c2ccc(Nc3c4ccc(Cl)cc4nc4ccc(OC)cc34)cc2)CC1;MNYIOGRNTCTHGP-UHFFFAOYSA-N;446.98;5.94;53330477;;;CHEMBL2153288;BBB;EPAM;25;0;"ph = 7.4, <a href=https://www.ebi.ac.uk/chembl/assay_report_card/CHEMBL2155231/  target=_blank>CHEMBL2155231</a>";;;;;;;;;-5.21;;;;;;;;;;;;"Nguyen T, Sakasegawa Y, Doh-Ura K, Go ML.: Anti-prion activities and drug-like potential of functionalized quinacrine analogs with basic phenyl residues at the 9-amino position. Eur J Med Chem, Volume 46 (7), 2011";ChEMBL
MM471831;MM471831;COc1ccc2nc3cc(Cl)ccc3c(Nc3ccc(N4CCN(C(C)=O)CC4)cc3)c2c1;AGAZBBSBRZRTAP-UHFFFAOYSA-N;460.97;5.46;53330478;;;CHEMBL2153289;BBB;EPAM;25;0;"ph = 7.4, <a href=https://www.ebi.ac.uk/chembl/assay_report_card/CHEMBL2155231/  target=_blank>CHEMBL2155231</a>";;;;;;;;;-5.06;;;;;;;;;;;;"Nguyen T, Sakasegawa Y, Doh-Ura K, Go ML.: Anti-prion activities and drug-like potential of functionalized quinacrine analogs with basic phenyl residues at the 9-amino position. Eur J Med Chem, Volume 46 (7), 2011";ChEMBL
MM472239;MM472239;COCCN(CC1Cc2c(cccc2N2CCNCC2)CN1)C1CCCc2cccnc21;BCNCPSDKLRPTET-RDGATRHJSA-N;435.62;2.53;145974080;;;CHEMBL4176403;GENER;EPAM;25;0;"ph = 7.4, <a href=https://www.ebi.ac.uk/chembl/assay_report_card/CHEMBL4156818/  target=_blank>CHEMBL4156818</a>";;;;;;;;;-7;;;;;;;;;;;;"Nguyen HH, Kim MB, Wilson RJ, Butch CJ, Kuo KM, Miller EJ, Tahirovic YA, Jecs E, Truax VM, Wang T, Sum CS, Cvijic ME, Schroeder GM, Wilson LJ, Liotta DC.: Design, Synthesis, and Pharmacological Evaluation of Second-Generation Tetrahydroisoquinoline-Based CXCR4 Antagonists with Favorable ADME Properties. J Med Chem, Volume 61 (16), 2018";ChEMBL
MM474302;MM474302;Cn1c(COc2cccc(C(=O)O)c2)nc2ccc(Oc3ccc(F)cc3)nc21;QDNCSUMDZIPGHG-UHFFFAOYSA-N;393.37;4.18;145971719;;;CHEMBL4176443;GENER;EPAM;25;0;"<a href=https://www.ebi.ac.uk/chembl/assay_report_card/CHEMBL4157977/  target=_blank>CHEMBL4157977</a>";;;;;;;;;-5.07;;;;;;;;;;;;"Shinozuka T, Tsukada T, Fujii K, Tokumaru E, Shimada K, Onishi Y, Matsui Y, Wakimoto S, Kuroha M, Ogata T, Araki K, Ohsumi J, Sawamura R, Watanabe N, Yamamoto H, Fujimoto K, Tani Y, Mori M, Tanaka J.: Discovery of DS-6930, a potent selective PPARγ modulator. Part II: Lead optimization. Bioorg Med Chem, Volume 26 (18), 2018";ChEMBL
MM471832;MM471832;COc1ccc2nc3cc(Cl)ccc3c(NCC#CCN3CCN(C)CC3)c2c1;HVWRBIKLNFSLPW-UHFFFAOYSA-N;408.93;3.71;53330639;;;CHEMBL2153292;BBB;EPAM;25;0;"ph = 7.4, <a href=https://www.ebi.ac.uk/chembl/assay_report_card/CHEMBL2155231/  target=_blank>CHEMBL2155231</a>";;;;;;;;;-4.94;;;;;;;;;;;;"Nguyen T, Sakasegawa Y, Doh-Ura K, Go ML.: Anti-prion activities and drug-like potential of functionalized quinacrine analogs with basic phenyl residues at the 9-amino position. Eur J Med Chem, Volume 46 (7), 2011";ChEMBL
MM474322;MM474322;Cc1ccc2nc(N3CCCc4ccc(F)cc4C3)cc(NC3(CN)COC3)c2c1;LDHDNVRPASCZTE-UHFFFAOYSA-N;406.51;3.77;145974331;;;CHEMBL4176594;GENER;EPAM;25;0;"<a href=https://www.ebi.ac.uk/chembl/assay_report_card/CHEMBL4158586/  target=_blank>CHEMBL4158586</a>";;;;;;;;;-6.23;;;;;;;;;;;;"Zheng X, Liang C, Wang L, Wang B, Liu Y, Feng S, Wu JZ, Gao L, Feng L, Chen L, Guo T, Shen HC, Yun H.: Discovery of Benzoazepinequinoline (BAQ) Derivatives as Novel, Potent, Orally Bioavailable Respiratory Syncytial Virus Fusion Inhibitors. J Med Chem, Volume 61 (22), 2018";ChEMBL
MM471833;MM471833;COc1ccc2nc3cc(Cl)ccc3c(NC3CCN(Cc4ccc(Cl)cc4)CC3)c2c1;YKAJLXRYKWQSTL-UHFFFAOYSA-N;466.41;6.78;53330644;;;CHEMBL2153297;BBB;EPAM;25;0;"ph = 7.4, <a href=https://www.ebi.ac.uk/chembl/assay_report_card/CHEMBL2155231/  target=_blank>CHEMBL2155231</a>";;;;;;;;;-4.81;;;;;;;;;;;;"Nguyen T, Sakasegawa Y, Doh-Ura K, Go ML.: Anti-prion activities and drug-like potential of functionalized quinacrine analogs with basic phenyl residues at the 9-amino position. Eur J Med Chem, Volume 46 (7), 2011";ChEMBL
MM471834;MM471834;COc1ccc(CN2CCC(Nc3c4ccc(Cl)cc4nc4ccc(OC)cc34)CC2)cc1;OTJFSVYHGVSDOU-UHFFFAOYSA-N;461.99;6.14;53330814;;;CHEMBL2153298;BBB;EPAM;25;0;"ph = 7.4, <a href=https://www.ebi.ac.uk/chembl/assay_report_card/CHEMBL2155231/  target=_blank>CHEMBL2155231</a>";;;;;;;;;-5.12;;;;;;;;;;;;"Nguyen T, Sakasegawa Y, Doh-Ura K, Go ML.: Anti-prion activities and drug-like potential of functionalized quinacrine analogs with basic phenyl residues at the 9-amino position. Eur J Med Chem, Volume 46 (7), 2011";ChEMBL
MM472242;MM472242;Cc1cnc2c(c1)CCCC2N(C)CC1Cc2c(cccc2N2CCNCC2)CN1;RSENRXMUUIGFKE-QPPBQGQZSA-N;405.59;2.82;135314048;;;CHEMBL4176701;GENER;EPAM;25;0;"ph = 7.4, <a href=https://www.ebi.ac.uk/chembl/assay_report_card/CHEMBL4156818/  target=_blank>CHEMBL4156818</a>";;;;;;;;;-6.05;;;;;;;;;;;;"Nguyen HH, Kim MB, Wilson RJ, Butch CJ, Kuo KM, Miller EJ, Tahirovic YA, Jecs E, Truax VM, Wang T, Sum CS, Cvijic ME, Schroeder GM, Wilson LJ, Liotta DC.: Design, Synthesis, and Pharmacological Evaluation of Second-Generation Tetrahydroisoquinoline-Based CXCR4 Antagonists with Favorable ADME Properties. J Med Chem, Volume 61 (16), 2018";ChEMBL
MM474316;MM474316;Cn1c(COc2cccc(C(=O)O)c2)nc2ccc(Oc3ccc(Cl)cn3)cc21;WNNQSUDKRDMZHR-UHFFFAOYSA-N;409.83;4.69;145973168;;;CHEMBL4176762;GENER;EPAM;25;0;"<a href=https://www.ebi.ac.uk/chembl/assay_report_card/CHEMBL4157977/  target=_blank>CHEMBL4157977</a>";;;;;;;;;-4.79;;;;;;;;;;;;"Shinozuka T, Tsukada T, Fujii K, Tokumaru E, Shimada K, Onishi Y, Matsui Y, Wakimoto S, Kuroha M, Ogata T, Araki K, Ohsumi J, Sawamura R, Watanabe N, Yamamoto H, Fujimoto K, Tani Y, Mori M, Tanaka J.: Discovery of DS-6930, a potent selective PPARγ modulator. Part II: Lead optimization. Bioorg Med Chem, Volume 26 (18), 2018";ChEMBL
MM471835;MM471835;COc1ccc2nc3cc(Cl)ccc3c(NC3CCN(Cc4ccc(C#N)cc4)CC3)c2c1;DOUFIIRVXZJOII-UHFFFAOYSA-N;456.98;6;53330815;;;CHEMBL2153299;BBB;EPAM;25;0;"ph = 7.4, <a href=https://www.ebi.ac.uk/chembl/assay_report_card/CHEMBL2155231/  target=_blank>CHEMBL2155231</a>";;;;;;;;;-5.04;;;;;;;;;;;;"Nguyen T, Sakasegawa Y, Doh-Ura K, Go ML.: Anti-prion activities and drug-like potential of functionalized quinacrine analogs with basic phenyl residues at the 9-amino position. Eur J Med Chem, Volume 46 (7), 2011";ChEMBL
MM471836;MM471836;COc1ccc2nc3cc(Cl)ccc3c(NC3CCN(CCc4ccccc4)CC3)c2c1;WEFNRRYQRFBEGB-UHFFFAOYSA-N;445.99;6.17;53330816;;;CHEMBL2153300;BBB;EPAM;25;0;"ph = 7.4, <a href=https://www.ebi.ac.uk/chembl/assay_report_card/CHEMBL2155231/  target=_blank>CHEMBL2155231</a>";;;;;;;;;-5.11;;;;;;;;;;;;"Nguyen T, Sakasegawa Y, Doh-Ura K, Go ML.: Anti-prion activities and drug-like potential of functionalized quinacrine analogs with basic phenyl residues at the 9-amino position. Eur J Med Chem, Volume 46 (7), 2011";ChEMBL
MM473493;MM473493;Cc1ccn2nc(C(C)Nc3ncnc(N)c3-c3ccc(O)c(F)c3)n(-c3ccccc3)c(=O)c12;IZHWRLKLKIUFPI-HNNXBMFYSA-N;471.5;3.85;73774946;;;CHEMBL4176794;GENER;EPAM;25;0;"<a href=https://www.ebi.ac.uk/chembl/assay_report_card/CHEMBL4158785/  target=_blank>CHEMBL4158785</a>";;;;;;;;;-5.77;;;;;;;;;;;;"Erra M, Taltavull J, Bernal FJ, Caturla JF, Carrascal M, Pagès L, Mir M, Espinosa S, Gràcia J, Domínguez M, Sabaté M, Paris S, Maldonado M, Hernández B, Bravo M, Calama E, Miralpeix M, Lehner MD, Calbet M.: Discovery of a Novel Inhaled PI3Kδ Inhibitor for the Treatment of Respiratory Diseases. J Med Chem, Volume 61 (21), 2018";ChEMBL
MM471837;MM471837;COc1ccc2nc3cc(Cl)ccc3c(NC3CCN(CCc4ccc(C)cc4)CC3)c2c1;IYCGDICJNVCGOW-UHFFFAOYSA-N;460.02;6.48;53330817;;;CHEMBL2153301;BBB;EPAM;25;0;"ph = 7.4, <a href=https://www.ebi.ac.uk/chembl/assay_report_card/CHEMBL2155231/  target=_blank>CHEMBL2155231</a>";;;;;;;;;-5.13;;;;;;;;;;;;"Nguyen T, Sakasegawa Y, Doh-Ura K, Go ML.: Anti-prion activities and drug-like potential of functionalized quinacrine analogs with basic phenyl residues at the 9-amino position. Eur J Med Chem, Volume 46 (7), 2011";ChEMBL
MM472234;MM472234;CCCN(CC1Cc2c(cccc2N2CCNCC2)CN1)C1CCCc2cccnc21;JUIWDKRJPDGUPN-RDGATRHJSA-N;419.62;3.3;145971507;;;CHEMBL4177130;GENER;EPAM;25;0;"ph = 7.4, <a href=https://www.ebi.ac.uk/chembl/assay_report_card/CHEMBL4156818/  target=_blank>CHEMBL4156818</a>";;;;;;;;;-5.58;;;;;;;;;;;;"Nguyen HH, Kim MB, Wilson RJ, Butch CJ, Kuo KM, Miller EJ, Tahirovic YA, Jecs E, Truax VM, Wang T, Sum CS, Cvijic ME, Schroeder GM, Wilson LJ, Liotta DC.: Design, Synthesis, and Pharmacological Evaluation of Second-Generation Tetrahydroisoquinoline-Based CXCR4 Antagonists with Favorable ADME Properties. J Med Chem, Volume 61 (16), 2018";ChEMBL
MM471838;MM471838;COc1ccc2nc3cc(Cl)ccc3c(NC3CC4CCC(C3)N4Cc3ccccc3)c2c1;NSFCBCZYZVXFBW-UHFFFAOYSA-N;458.01;6.66;71456621;;;CHEMBL2153413;BBB;EPAM;25;0;"ph = 7.4, <a href=https://www.ebi.ac.uk/chembl/assay_report_card/CHEMBL2155231/  target=_blank>CHEMBL2155231</a>";;;;;;;;;-5.08;;;;;;;;;;;;"Nguyen T, Sakasegawa Y, Doh-Ura K, Go ML.: Anti-prion activities and drug-like potential of functionalized quinacrine analogs with basic phenyl residues at the 9-amino position. Eur J Med Chem, Volume 46 (7), 2011";ChEMBL
MM474311;MM474311;Cc1ccc(Oc2cc3c(cn2)nc(COc2cccc(C(=O)O)c2)n3C)cc1;QMSODTPQJKTFTH-UHFFFAOYSA-N;389.41;4.35;145971273;;;CHEMBL4177154;GENER;EPAM;25;0;"<a href=https://www.ebi.ac.uk/chembl/assay_report_card/CHEMBL4157977/  target=_blank>CHEMBL4157977</a>";;;;;;;;;-5.17;;;;;;;;;;;;"Shinozuka T, Tsukada T, Fujii K, Tokumaru E, Shimada K, Onishi Y, Matsui Y, Wakimoto S, Kuroha M, Ogata T, Araki K, Ohsumi J, Sawamura R, Watanabe N, Yamamoto H, Fujimoto K, Tani Y, Mori M, Tanaka J.: Discovery of DS-6930, a potent selective PPARγ modulator. Part II: Lead optimization. Bioorg Med Chem, Volume 26 (18), 2018";ChEMBL
MM471839;MM471839;COc1ccc2nc3cc(Cl)ccc3c(Nc3ccc(CN4CCCCC4)cc3)c2c1;NIVNKMPXQVXFGP-UHFFFAOYSA-N;431.97;6.78;53328136;;;CHEMBL2153414;BBB;EPAM;25;0;"ph = 7.4, <a href=https://www.ebi.ac.uk/chembl/assay_report_card/CHEMBL2155231/  target=_blank>CHEMBL2155231</a>";;;;;;;;;-5.28;;;;;;;;;;;;"Nguyen T, Sakasegawa Y, Doh-Ura K, Go ML.: Anti-prion activities and drug-like potential of functionalized quinacrine analogs with basic phenyl residues at the 9-amino position. Eur J Med Chem, Volume 46 (7), 2011";ChEMBL
MM473478;MM473478;CS(=O)(=O)c1nn(Cc2nc3cc(Cl)ccc3n2CC2COC2)c2cnccc12;JCRHWUFAMLOIEZ-UHFFFAOYSA-N;431.91;2.53;;;;;GENER;EPAM;25;0;"<a href=https://www.ebi.ac.uk/chembl/assay_report_card/CHEMBL4132438/  target=_blank>CHEMBL4132438</a>";;;;;;;;;-5.49;;;;;;;;;;;;"Feng S, Li C, Chen D, Zheng X, Yun H, Gao L, Shen HC.: Discovery of methylsulfonyl indazoles as potent and orally active respiratory syncytial Virus(RSV) fusion inhibitors. Eur J Med Chem, Volume 138, 2017";ChEMBL
MM473926;MM473926;CC(C)(C)/[N+]([O-])=C/c1ccccc1O;HGLLGCIZHHMQDE-WQLSENKSSA-N;193.25;2.12;;;;;BBB;EPAM;25;+1,-1;"<a href=https://www.ebi.ac.uk/chembl/assay_report_card/CHEMBL2162575/  target=_blank>CHEMBL2162575</a>";;;;;;;;;-4.43;;;;;;;;;;;;"Chavarría C, Perez DI, Pérez C, Morales Garcia JA, Alonso-Gil S, Pérez-Castillo A, Gil C, Souza JM, Porcal W.: Microwave-assisted synthesis of hydroxyphenyl nitrones with protective action against oxidative stress. Eur J Med Chem, Volume 58, 2012";ChEMBL
MM474010;MM474010;CCCCNc1nc(SCC)nc2c1cnn2CC(Cl)c1ccccc1;;389.96;5.13;11741081;;;CHEMBL41910;GENER;EPAM;25;0;"<a href=https://www.ebi.ac.uk/chembl/assay_report_card/CHEMBL4013498/  target=_blank>CHEMBL4013498</a>";;;;;;;;;-5.22;;;;;;;;;;;;"Vignaroli G, Iovenitti G, Zamperini C, Coniglio F, Calandro P, Molinari A, Fallacara AL, Sartucci A, Calgani A, Colecchia D, Mancini A, Festuccia C, Dreassi E, Valoti M, Musumeci F, Chiariello M, Angelucci A, Botta M, Schenone S.: Prodrugs of Pyrazolo[3,4-d]pyrimidines: From Library Synthesis to Evaluation as Potential Anticancer Agents in an Orthotopic Glioblastoma Model. J Med Chem, Volume 60 (14), 2017";ChEMBL
MM474010;MM474010;CCCCNc1nc(SCC)nc2c1cnn2CC(Cl)c1ccccc1;;389.96;5.13;11741081;;;CHEMBL41910;GENER;EPAM;25;0;"<a href=https://www.ebi.ac.uk/chembl/assay_report_card/CHEMBL2411066/  target=_blank>CHEMBL2411066</a>";;;;;;;;;-5.22;;;;;;;;;;;;"Vignaroli G, Zamperini C, Dreassi E, Radi M, Angelucci A, Sanità P, Crespan E, Kissova M, Maga G, Schenone S, Musumeci F, Botta M.: Pyrazolo[3,4-d]pyrimidine Prodrugs: Strategic Optimization of the Aqueous Solubility of Dual Src/Abl Inhibitors. ACS Med Chem Lett, Volume 4 (7), 2013";ChEMBL
MM473927;MM473927;CC(C)(C)/[N+]([O-])=C/c1ccc(O)cc1;PSYHRZCRICXGJJ-WQLSENKSSA-N;193.25;2.12;;;;;BBB;EPAM;25;+1,-1;"<a href=https://www.ebi.ac.uk/chembl/assay_report_card/CHEMBL2162575/  target=_blank>CHEMBL2162575</a>";;;;;;;;;-6.7;;;;;;;;;;;;"Chavarría C, Perez DI, Pérez C, Morales Garcia JA, Alonso-Gil S, Pérez-Castillo A, Gil C, Souza JM, Porcal W.: Microwave-assisted synthesis of hydroxyphenyl nitrones with protective action against oxidative stress. Eur J Med Chem, Volume 58, 2012";ChEMBL
MM472822;MM472822;Nc1ncnc2c1ncn2CCOC(=O)c1ccc(S(=O)(=O)F)cc1;AIKXDIFYOJHYOB-UHFFFAOYSA-N;365.35;0.92;145975991;;;CHEMBL4202426;GENER;EPAM;25;0;"<a href=https://www.ebi.ac.uk/chembl/assay_report_card/CHEMBL4182564/  target=_blank>CHEMBL4182564</a>";;;;;;;;;-5.47;;;;;;;;;;;;"Jiao GS, Kim S, Moayeri M, Thai A, Cregar-Hernandez L, McKasson L, O'Malley S, Leppla SH, Johnson AT.: Small molecule inhibitors of anthrax edema factor. Bioorg Med Chem Lett, Volume 28 (2), 2018";ChEMBL
MM471858;MM471858;COC(=O)C1CCCN1C(=O)C(Cc1ccccc1)N(C)C(=O)C(C)NC(=O)C(CC(C)C)NC(=O)CC(O)C(Cc1ccccc1)NC(=O)c1cc(NS(C)(=O)=O)cc(C(=O)NC(C)c2ccccc2)c1;;1010.22;3.91;70680447;;;CHEMBL2181010;BBB;EPAM;25;0;"ph = 5, <a href=https://www.ebi.ac.uk/chembl/assay_report_card/CHEMBL2185088/  target=_blank>CHEMBL2185088</a>";;;;;;;;;-4.97;;;;;;;;;;;;"Liu Y, Zhang W, Li L, Salvador LA, Chen T, Chen W, Felsenstein KM, Ladd TB, Price AR, Golde TE, He J, Xu Y, Li Y, Luesch H.: Cyanobacterial peptides as a prototype for the design of potent β-secretase inhibitors and the development of selective chemical probes for other aspartic proteases. J Med Chem, Volume 55 (23), 2012";ChEMBL
MM472854;MM472854;COC(=O)c1cccc(OCc2oc(-c3ccccc3OC)nc2C)c1;BCWHVDGZTARFIJ-UHFFFAOYSA-N;353.37;4.02;145977976;;;CHEMBL4202476;GENER;EPAM;25;0;"<a href=https://www.ebi.ac.uk/chembl/assay_report_card/CHEMBL4184929/  target=_blank>CHEMBL4184929</a>";;;;;;;;;-3.42;;;;;;;;;;;;"Teske KA, Bogart JW, Arnold LA.: Novel VDR antagonists based on the GW0742 scaffold. Bioorg Med Chem Lett, Volume 28 (3), 2018";ChEMBL
MM471858;MM471858;COC(=O)C1CCCN1C(=O)C(Cc1ccccc1)N(C)C(=O)C(C)NC(=O)C(CC(C)C)NC(=O)CC(O)C(Cc1ccccc1)NC(=O)c1cc(NS(C)(=O)=O)cc(C(=O)NC(C)c2ccccc2)c1;;1010.22;3.91;70680447;;;CHEMBL2181010;BBB;EPAM;25;0;"ph = 7.4, <a href=https://www.ebi.ac.uk/chembl/assay_report_card/CHEMBL2185087/  target=_blank>CHEMBL2185087</a>";;;;;;;;;-5.07;;;;;;;;;;;;"Liu Y, Zhang W, Li L, Salvador LA, Chen T, Chen W, Felsenstein KM, Ladd TB, Price AR, Golde TE, He J, Xu Y, Li Y, Luesch H.: Cyanobacterial peptides as a prototype for the design of potent β-secretase inhibitors and the development of selective chemical probes for other aspartic proteases. J Med Chem, Volume 55 (23), 2012";ChEMBL
MM473512;MM473512;CN1CCN(C(=O)c2ccc(-c3cn4c(-c5ccc(C(F)F)cc5)cnc4cn3)cc2)CC1;ZLXQWGHPSCNGQC-UHFFFAOYSA-N;447.49;4.39;89826764;;;CHEMBL4202593;GENER;EPAM;25;0;"<a href=https://www.ebi.ac.uk/chembl/assay_report_card/CHEMBL4189500/  target=_blank>CHEMBL4189500</a>";;;;;;;;;-4.12;;;;;;;;;;;;"Yang H, Chennamaneni LR, Ho MWT, Ang SH, Tan ESW, Jeyaraj DA, Yeap YS, Liu B, Ong EH, Joy JK, Wee JLK, Kwek P, Retna P, Dinie N, Nguyen TTH, Tai SJ, Manoharan V, Pendharkar V, Low CB, Chew YS, Vuddagiri S, Sangthongpitag K, Choong ML, Lee MA, Kannan S, Verma CS, Poulsen A, Lim S, Chuah C, Ong TS, Hill J, Matter A, Nacro K.: Optimization of Selective Mitogen-Activated Protein Kinase Interacting Kinases 1 and 2 Inhibitors for the Treatment of Blast Crisis Leukemia. J Med Chem, Volume 61 (10), 2018";ChEMBL
MM472838;MM472838;COc1cccc(-c2nc(C)c(COc3ccc(C(=O)O)cc3)o2)c1;WLLPOQTXQFZNGT-UHFFFAOYSA-N;339.35;3.94;145975539;;;CHEMBL4203307;GENER;EPAM;25;0;"<a href=https://www.ebi.ac.uk/chembl/assay_report_card/CHEMBL4184929/  target=_blank>CHEMBL4184929</a>";;;;;;;;;-3.77;;;;;;;;;;;;"Teske KA, Bogart JW, Arnold LA.: Novel VDR antagonists based on the GW0742 scaffold. Bioorg Med Chem Lett, Volume 28 (3), 2018";ChEMBL
MM472917;MM472917;CCOC(=O)C1=C(C)Nc2nc3c(c(N)c2C1c1ccccc1)CCCC3;POYFPBLOVRVCKS-UHFFFAOYSA-N;363.46;3.94;16098494;;;CHEMBL218939;BBB;EPAM;25;0;"<a href=https://www.ebi.ac.uk/chembl/assay_report_card/CHEMBL1004514/  target=_blank>CHEMBL1004514</a>";;;;;;;;;-4.9;;;;;;;;;;;;"Marco-Contelles J, León R, de los Ríos C, Samadi A, Bartolini M, Andrisano V, Huertas O, Barril X, Luque FJ, Rodríguez-Franco MI, López B, López MG, García AG, Carreiras Mdo C, Villarroya M.: Tacripyrines, the first tacrine-dihydropyridine hybrids, as multitarget-directed ligands for the treatment of Alzheimer's disease. J Med Chem, Volume 52 (9), 2009";ChEMBL
MM473502;MM473502;CN1CCN(c2ccc(CNc3nc(N4CCOCC4)nc4c3ncn4-c3cccc(F)c3)cc2)CC1;SWBOENCRQCSBMY-UHFFFAOYSA-N;502.6;3.16;145977030;;;CHEMBL4203539;GENER;EPAM;25;0;"<a href=https://www.ebi.ac.uk/chembl/assay_report_card/CHEMBL4187220/  target=_blank>CHEMBL4187220</a>";;;;;;;;;-6.52;;;;;;;;;;;;"Monastyrskyi A, Nilchan N, Quereda V, Noguchi Y, Ruiz C, Grant W, Cameron M, Duckett D, Roush W.: Development of dual casein kinase 1δ/1ε (CK1δ/ε) inhibitors for treatment of breast cancer. Bioorg Med Chem, Volume 26 (3), 2018";ChEMBL
MM472909;MM472909;CCOC(=O)C1=C(C)Nc2nc3c(c(N)c2C1c1cccc(OC)c1)CCCC3;SCKWNQRIZNNYFA-UHFFFAOYSA-N;393.49;3.95;16098505;;;CHEMBL218940;BBB;EPAM;25;0;"<a href=https://www.ebi.ac.uk/chembl/assay_report_card/CHEMBL1004514/  target=_blank>CHEMBL1004514</a>";;;;;;;;;-5.26;;;;;;;;;;;;"Marco-Contelles J, León R, de los Ríos C, Samadi A, Bartolini M, Andrisano V, Huertas O, Barril X, Luque FJ, Rodríguez-Franco MI, López B, López MG, García AG, Carreiras Mdo C, Villarroya M.: Tacripyrines, the first tacrine-dihydropyridine hybrids, as multitarget-directed ligands for the treatment of Alzheimer's disease. J Med Chem, Volume 52 (9), 2009";ChEMBL
MM474657;MM474657;COc1cc2c(NCC3CCN(C(C)C)CC3)cc(-c3ccc(C)o3)nc2cc1OCCCN1CCCC1;ZAWYCUBKBPHGBY-UHFFFAOYSA-N;520.72;6.21;145977537;;;CHEMBL4203647;GENER;EPAM;25;0;"<a href=https://www.ebi.ac.uk/chembl/assay_report_card/CHEMBL4195577/  target=_blank>CHEMBL4195577</a>";;;;;;;;;-5.72;;;;;;;;;;;;"Rabal O, Sánchez-Arias JA, San José-Enériz E, Agirre X, de Miguel I, Garate L, Miranda E, Sáez E, Roa S, Martínez-Climent JA, Liu Y, Wu W, Xu M, Prosper F, Oyarzabal J.: Detailed Exploration around 4-Aminoquinolines Chemical Space to Navigate the Lysine Methyltransferase G9a and DNA Methyltransferase Biological Spaces. J Med Chem, Volume 61 (15), 2018";ChEMBL
MM472916;MM472916;CCOC(=O)C1=C(C)Nc2nc3c(c(N)c2C1c1ccc(F)cc1)CCCC3;RDDFBAPIHCKOCC-UHFFFAOYSA-N;381.45;4.08;16098502;;;CHEMBL219172;BBB;EPAM;25;0;"<a href=https://www.ebi.ac.uk/chembl/assay_report_card/CHEMBL1004514/  target=_blank>CHEMBL1004514</a>";;;;;;;;;-5.02;;;;;;;;;;;;"Marco-Contelles J, León R, de los Ríos C, Samadi A, Bartolini M, Andrisano V, Huertas O, Barril X, Luque FJ, Rodríguez-Franco MI, López B, López MG, García AG, Carreiras Mdo C, Villarroya M.: Tacripyrines, the first tacrine-dihydropyridine hybrids, as multitarget-directed ligands for the treatment of Alzheimer's disease. J Med Chem, Volume 52 (9), 2009";ChEMBL
MM474327;MM474327;COC(=O)NC(C(=O)N1CCCC1c1nc2ccc(C3CCC(c4ccc5nc(C6CCCN6C(=O)C(NC(=O)OC)C(C)C)[nH]c5c4)N3c3cc(Cl)c(N4CCCCC4)c(Cl)c3)cc2[nH]1)C(C)C;UIMRZZAFRLNDGH-CNGYLHDYSA-N;984.04;9.91;58226642;;;CHEMBL4203712;GENER;EPAM;25;0;"<a href=https://www.ebi.ac.uk/chembl/assay_report_card/CHEMBL4183590/  target=_blank>CHEMBL4183590</a>";;;;;;;;;-7.52;;;;;;;;;;;;"Wagner R, Randolph JT, Patel SV, Nelson L, Matulenko MA, Keddy R, Pratt JK, Liu D, Krueger AC, Donner PL, Hutchinson DK, Flentge C, Betebenner D, Rockway T, Maring CJ, Ng TI, Krishnan P, Pilot-Matias T, Collins C, Panchal N, Reisch T, Dekhtyar T, Mondal R, Stolarik DF, Gao Y, Gao W, Beno DA, Kati WM.: Highlights of the Structure-Activity Relationships of Benzimidazole Linked Pyrrolidines Leading to the Discovery of the Hepatitis C Virus NS5A Inhibitor Pibrentasvir (ABT-530). J Med Chem, Volume 61 (9), 2018";ChEMBL
MM472914;MM472914;CCOC(=O)C1=C(C)Nc2nc3c(c(N)c2C1c1ccccc1[N+](=O)[O-])CCCC3;OWDDOOZVDQHYQH-UHFFFAOYSA-N;408.46;3.85;;;;;BBB;EPAM;25;+1,-1;"<a href=https://www.ebi.ac.uk/chembl/assay_report_card/CHEMBL1004514/  target=_blank>CHEMBL1004514</a>";;;;;;;;;-5.07;;;;;;;;;;;;"Marco-Contelles J, León R, de los Ríos C, Samadi A, Bartolini M, Andrisano V, Huertas O, Barril X, Luque FJ, Rodríguez-Franco MI, López B, López MG, García AG, Carreiras Mdo C, Villarroya M.: Tacripyrines, the first tacrine-dihydropyridine hybrids, as multitarget-directed ligands for the treatment of Alzheimer's disease. J Med Chem, Volume 52 (9), 2009";ChEMBL
MM473524;MM473524;N#Cc1ccc(-c2cnc3ccc(-c4ccc(C(=O)N5CCOCC5)cc4)nn23)cc1;CARBAQLLNJEQRM-UHFFFAOYSA-N;409.45;3.41;71744719;;;CHEMBL4203889;GENER;EPAM;25;0;"<a href=https://www.ebi.ac.uk/chembl/assay_report_card/CHEMBL4189500/  target=_blank>CHEMBL4189500</a>";;;;;;;;;-4.52;;;;;;;;;;;;"Yang H, Chennamaneni LR, Ho MWT, Ang SH, Tan ESW, Jeyaraj DA, Yeap YS, Liu B, Ong EH, Joy JK, Wee JLK, Kwek P, Retna P, Dinie N, Nguyen TTH, Tai SJ, Manoharan V, Pendharkar V, Low CB, Chew YS, Vuddagiri S, Sangthongpitag K, Choong ML, Lee MA, Kannan S, Verma CS, Poulsen A, Lim S, Chuah C, Ong TS, Hill J, Matter A, Nacro K.: Optimization of Selective Mitogen-Activated Protein Kinase Interacting Kinases 1 and 2 Inhibitors for the Treatment of Blast Crisis Leukemia. J Med Chem, Volume 61 (10), 2018";ChEMBL
MM472912;MM472912;CCOC(=O)C1=C(C)Nc2nc3c(c(N)c2C1c1ccc([N+](=O)[O-])cc1)CCCC3;QTWUJCCPMWZOOB-UHFFFAOYSA-N;408.46;3.85;;;;;BBB;EPAM;25;+1,-1;"<a href=https://www.ebi.ac.uk/chembl/assay_report_card/CHEMBL1004514/  target=_blank>CHEMBL1004514</a>";;;;;;;;;-5.24;;;;;;;;;;;;"Marco-Contelles J, León R, de los Ríos C, Samadi A, Bartolini M, Andrisano V, Huertas O, Barril X, Luque FJ, Rodríguez-Franco MI, López B, López MG, García AG, Carreiras Mdo C, Villarroya M.: Tacripyrines, the first tacrine-dihydropyridine hybrids, as multitarget-directed ligands for the treatment of Alzheimer's disease. J Med Chem, Volume 52 (9), 2009";ChEMBL
MM472911;MM472911;CCOC(=O)C1=C(C)Nc2nc3c(c(N)c2C1c1ccc(C)cc1)CCCC3;QTVIWMLMXFVZIY-UHFFFAOYSA-N;377.49;4.25;16098504;;;CHEMBL219406;BBB;EPAM;25;0;"<a href=https://www.ebi.ac.uk/chembl/assay_report_card/CHEMBL1004514/  target=_blank>CHEMBL1004514</a>";;;;;;;;;-5.74;;;;;;;;;;;;"Marco-Contelles J, León R, de los Ríos C, Samadi A, Bartolini M, Andrisano V, Huertas O, Barril X, Luque FJ, Rodríguez-Franco MI, López B, López MG, García AG, Carreiras Mdo C, Villarroya M.: Tacripyrines, the first tacrine-dihydropyridine hybrids, as multitarget-directed ligands for the treatment of Alzheimer's disease. J Med Chem, Volume 52 (9), 2009";ChEMBL
MM474662;MM474662;CCc1ccc(-c2cc(NC3CCC34CCN(C)CC4)c3cc(OC)c(OCCCN4CCCC4)cc3n2)o1;KJOYGBHVQOPLES-UHFFFAOYSA-N;532.73;6.22;118613691;;;CHEMBL4203933;GENER;EPAM;25;0;"<a href=https://www.ebi.ac.uk/chembl/assay_report_card/CHEMBL4195577/  target=_blank>CHEMBL4195577</a>";;;;;;;;;-5.42;;;;;;;;;;;;"Rabal O, Sánchez-Arias JA, San José-Enériz E, Agirre X, de Miguel I, Garate L, Miranda E, Sáez E, Roa S, Martínez-Climent JA, Liu Y, Wu W, Xu M, Prosper F, Oyarzabal J.: Detailed Exploration around 4-Aminoquinolines Chemical Space to Navigate the Lysine Methyltransferase G9a and DNA Methyltransferase Biological Spaces. J Med Chem, Volume 61 (15), 2018";ChEMBL
MM472245;MM472245;CCN1CC(C(=O)NC(C)CCc2ccc(Cl)c(Cl)c2)=C(O)C1=O;;371.26;3.1;86728184;;;CHEMBL4203934;GENER;EPAM;25;0;"ph = 5.5, <a href=https://www.ebi.ac.uk/chembl/assay_report_card/CHEMBL4327021/  target=_blank>CHEMBL4327021</a>";;;;;;;;;-4.29;;;;;;;;;;;;"Hu CH, Wang TC, Qiao JX, Haque L, Chen AYA, Taylor DS, Ying X, Onorato JM, Galella M, Shen H, Huang CS, Toussaint N, Li YX, Abell L, Adam LP, Gordon D, Wexler RR, Finlay HJ.: Discovery and synthesis of tetrahydropyrimidinedione-4-carboxamides as endothelial lipase inhibitors. Bioorg Med Chem Lett, Volume 28 (23-24), 2018";ChEMBL
MM472913;MM472913;CCOC(=O)C1=C(C)Nc2nc3c(c(N)c2C1c1cccc([N+](=O)[O-])c1)CCCC3;CWDRVGKNJWGVJS-UHFFFAOYSA-N;408.46;3.85;;;;;BBB;EPAM;25;+1,-1;"<a href=https://www.ebi.ac.uk/chembl/assay_report_card/CHEMBL1004514/  target=_blank>CHEMBL1004514</a>";;;;;;;;;-5.15;;;;;;;;;;;;"Marco-Contelles J, León R, de los Ríos C, Samadi A, Bartolini M, Andrisano V, Huertas O, Barril X, Luque FJ, Rodríguez-Franco MI, López B, López MG, García AG, Carreiras Mdo C, Villarroya M.: Tacripyrines, the first tacrine-dihydropyridine hybrids, as multitarget-directed ligands for the treatment of Alzheimer's disease. J Med Chem, Volume 52 (9), 2009";ChEMBL
MM472245;MM472245;CCN1CC(C(=O)NC(C)CCc2ccc(Cl)c(Cl)c2)=C(O)C1=O;;371.26;3.1;86728184;;;CHEMBL4203934;GENER;EPAM;25;0;"ph = 7.4, <a href=https://www.ebi.ac.uk/chembl/assay_report_card/CHEMBL4327022/  target=_blank>CHEMBL4327022</a>";;;;;;;;;-5.46;;;;;;;;;;;;"Hu CH, Wang TC, Qiao JX, Haque L, Chen AYA, Taylor DS, Ying X, Onorato JM, Galella M, Shen H, Huang CS, Toussaint N, Li YX, Abell L, Adam LP, Gordon D, Wexler RR, Finlay HJ.: Discovery and synthesis of tetrahydropyrimidinedione-4-carboxamides as endothelial lipase inhibitors. Bioorg Med Chem Lett, Volume 28 (23-24), 2018";ChEMBL
MM472619;MM472619;CC1CCN(C(=O)C=Cc2ccc3c(c2)OCO3)CC1;BIXTXZXWPUQSJC-HWKANZROSA-N;273.33;2.69;680623;;;CHEMBL2203919;BBB;EPAM;25;0;"<a href=https://www.ebi.ac.uk/chembl/assay_report_card/CHEMBL2215740/  target=_blank>CHEMBL2215740</a>";;;;;;;;;-3.77;;;;;;;;;;;;"Al-Baghdadi OB, Prater NI, Van der Schyf CJ, Geldenhuys WJ.: Inhibition of monoamine oxidase by derivatives of piperine, an alkaloid from the pepper plant Piper nigrum, for possible use in Parkinson's disease. Bioorg Med Chem Lett, Volume 22 (23), 2012";ChEMBL
MM472825;MM472825;Cc1nc(N)c2cnn(CCCNC(=O)c3ccc(S(=O)(=O)F)cc3)c2n1;CFIJILHCAGJIIH-UHFFFAOYSA-N;392.42;1.2;145978254;;;CHEMBL4203961;GENER;EPAM;25;0;"<a href=https://www.ebi.ac.uk/chembl/assay_report_card/CHEMBL4182564/  target=_blank>CHEMBL4182564</a>";;;;;;;;;-5.74;;;;;;;;;;;;"Jiao GS, Kim S, Moayeri M, Thai A, Cregar-Hernandez L, McKasson L, O'Malley S, Leppla SH, Johnson AT.: Small molecule inhibitors of anthrax edema factor. Bioorg Med Chem Lett, Volume 28 (2), 2018";ChEMBL
MM473527;MM473527;O=C1Nc2ccccc2/C1=N/c1ccccc1;XHQFUPTZQYGGHC-UHFFFAOYSA-N;222.25;2.76;;;;;BBB;EPAM;25;0;"<a href=https://www.ebi.ac.uk/chembl/assay_report_card/CHEMBL4192183/  target=_blank>CHEMBL4192183</a>";;;;;;;;;-4.97;;;;;;;;;;;;"Salado IG, Zaldivar-Diez J, Sebastián-Pérez V, Li L, Geiger L, González S, Campillo NE, Gil C, Morales AV, Perez DI, Martinez A.: Leucine rich repeat kinase 2 (LRRK2) inhibitors based on indolinone scaffold: Potential pro-neurogenic agents. Eur J Med Chem, Volume 138, 2017";ChEMBL
MM472859;MM472859;O=S1(=O)CC(O)(CCc2ccccc2)C1;;226.3;0.78;145975086;;;CHEMBL4203980;GENER;EPAM;25;0;"<a href=https://www.ebi.ac.uk/chembl/assay_report_card/CHEMBL4193832/  target=_blank>CHEMBL4193832</a>";;;;;;;;;-4.91;;;;;;;;;;;;"Lassalas P, Oukoloff K, Makani V, James M, Tran V, Yao Y, Huang L, Vijayendran K, Monti L, Trojanowski JQ, Lee VM, Kozlowski MC, Smith AB, Brunden KR, Ballatore C.: Evaluation of Oxetan-3-ol, Thietan-3-ol, and Derivatives Thereof as Bioisosteres of the Carboxylic Acid Functional Group. ACS Med Chem Lett, Volume 8 (8), 2017";ChEMBL
MM471859;MM471859;Cc1ccc2nc(C=Cc3ccc(N)cc3)ccc2c1;XMNQMBCFAIDSPX-WEVVVXLNSA-N;260.34;4.3;71527480;;;CHEMBL2323024;BBB;EPAM;25;0;"ph = 7.4, <a href=https://www.ebi.ac.uk/chembl/assay_report_card/CHEMBL2328054/  target=_blank>CHEMBL2328054</a>";;;;;;;;;-4.64;;;;;;;;;;;;"Staderini M, Aulić S, Bartolini M, Tran HN, González-Ruiz V, Pérez DI, Cabezas N, Martínez A, Martín MA, Andrisano V, Legname G, Menéndez JC, Bolognesi ML.: A Fluorescent Styrylquinoline with Combined Therapeutic and Diagnostic Activities against Alzheimer's and Prion Diseases. ACS Med Chem Lett, Volume 4 (2), 2013";ChEMBL
MM472859;MM472859;O=S1(=O)CC(O)(CCc2ccccc2)C1;;226.3;0.78;145975086;;;CHEMBL4203980;GENER;EPAM;25;0;"<a href=https://www.ebi.ac.uk/chembl/assay_report_card/CHEMBL4193834/  target=_blank>CHEMBL4193834</a>";;;;;;;;;-4.91;;;;;;;;;;;;"Lassalas P, Oukoloff K, Makani V, James M, Tran V, Yao Y, Huang L, Vijayendran K, Monti L, Trojanowski JQ, Lee VM, Kozlowski MC, Smith AB, Brunden KR, Ballatore C.: Evaluation of Oxetan-3-ol, Thietan-3-ol, and Derivatives Thereof as Bioisosteres of the Carboxylic Acid Functional Group. ACS Med Chem Lett, Volume 8 (8), 2017";ChEMBL
MM471860;MM471860;COc1ccc2nc(C=Cc3ccccc3)ccc2c1;GGNDOAUDXSABFB-VQHVLOKHSA-N;261.32;4.41;71716208;;;CHEMBL2323026;BBB;EPAM;25;0;"ph = 7.4, <a href=https://www.ebi.ac.uk/chembl/assay_report_card/CHEMBL2328054/  target=_blank>CHEMBL2328054</a>";;;;;;;;;-5.07;;;;;;;;;;;;"Staderini M, Aulić S, Bartolini M, Tran HN, González-Ruiz V, Pérez DI, Cabezas N, Martínez A, Martín MA, Andrisano V, Legname G, Menéndez JC, Bolognesi ML.: A Fluorescent Styrylquinoline with Combined Therapeutic and Diagnostic Activities against Alzheimer's and Prion Diseases. ACS Med Chem Lett, Volume 4 (2), 2013";ChEMBL
MM473521;MM473521;CN1CCN(C(=O)c2ccc(-c3ccc4ncc(-c5ccc(C#N)cc5)n4c3)cc2)CC1;SRVMCTQCWVQBNL-UHFFFAOYSA-N;421.5;3.93;89825760;;;CHEMBL4204438;GENER;EPAM;25;0;"<a href=https://www.ebi.ac.uk/chembl/assay_report_card/CHEMBL4189500/  target=_blank>CHEMBL4189500</a>";;;;;;;;;-4.09;;;;;;;;;;;;"Yang H, Chennamaneni LR, Ho MWT, Ang SH, Tan ESW, Jeyaraj DA, Yeap YS, Liu B, Ong EH, Joy JK, Wee JLK, Kwek P, Retna P, Dinie N, Nguyen TTH, Tai SJ, Manoharan V, Pendharkar V, Low CB, Chew YS, Vuddagiri S, Sangthongpitag K, Choong ML, Lee MA, Kannan S, Verma CS, Poulsen A, Lim S, Chuah C, Ong TS, Hill J, Matter A, Nacro K.: Optimization of Selective Mitogen-Activated Protein Kinase Interacting Kinases 1 and 2 Inhibitors for the Treatment of Blast Crisis Leukemia. J Med Chem, Volume 61 (10), 2018";ChEMBL
MM471861;MM471861;Cc1ccc2nc(C=Cc3ccccc3)ccc2c1;BRPDMIKQCQDAFG-CSKARUKUSA-N;245.33;4.71;21824923;;;CHEMBL2323027;BBB;EPAM;25;0;"ph = 7.4, <a href=https://www.ebi.ac.uk/chembl/assay_report_card/CHEMBL2328054/  target=_blank>CHEMBL2328054</a>";;;;;;;;;-5.52;;;;;;;;;;;;"Staderini M, Aulić S, Bartolini M, Tran HN, González-Ruiz V, Pérez DI, Cabezas N, Martínez A, Martín MA, Andrisano V, Legname G, Menéndez JC, Bolognesi ML.: A Fluorescent Styrylquinoline with Combined Therapeutic and Diagnostic Activities against Alzheimer's and Prion Diseases. ACS Med Chem Lett, Volume 4 (2), 2013";ChEMBL
MM474659;MM474659;COc1cc2c(NC3CC4(CCN(C(C)C)CC4)C3)cc(-c3ccc(C)o3)nc2cc1OCCCN1CCCC1;PCZXRYSXMPNRDU-UHFFFAOYSA-N;546.76;6.74;145976082;;;CHEMBL4204482;GENER;EPAM;25;0;"<a href=https://www.ebi.ac.uk/chembl/assay_report_card/CHEMBL4195577/  target=_blank>CHEMBL4195577</a>";;;;;;;;;-5.71;;;;;;;;;;;;"Rabal O, Sánchez-Arias JA, San José-Enériz E, Agirre X, de Miguel I, Garate L, Miranda E, Sáez E, Roa S, Martínez-Climent JA, Liu Y, Wu W, Xu M, Prosper F, Oyarzabal J.: Detailed Exploration around 4-Aminoquinolines Chemical Space to Navigate the Lysine Methyltransferase G9a and DNA Methyltransferase Biological Spaces. J Med Chem, Volume 61 (15), 2018";ChEMBL
MM473511;MM473511;CN1CCN(C(=O)c2ccc(-c3cn4c(-c5ccc(C(N)=O)cc5)cnc4cn3)cc2)CC1;TWYKNRDHNFNBDF-UHFFFAOYSA-N;440.51;2.55;;;;;GENER;EPAM;25;0;"<a href=https://www.ebi.ac.uk/chembl/assay_report_card/CHEMBL4189500/  target=_blank>CHEMBL4189500</a>";;;;;;;;;-5.75;;;;;;;;;;;;"Yang H, Chennamaneni LR, Ho MWT, Ang SH, Tan ESW, Jeyaraj DA, Yeap YS, Liu B, Ong EH, Joy JK, Wee JLK, Kwek P, Retna P, Dinie N, Nguyen TTH, Tai SJ, Manoharan V, Pendharkar V, Low CB, Chew YS, Vuddagiri S, Sangthongpitag K, Choong ML, Lee MA, Kannan S, Verma CS, Poulsen A, Lim S, Chuah C, Ong TS, Hill J, Matter A, Nacro K.: Optimization of Selective Mitogen-Activated Protein Kinase Interacting Kinases 1 and 2 Inhibitors for the Treatment of Blast Crisis Leukemia. J Med Chem, Volume 61 (10), 2018";ChEMBL
MM474669;MM474669;CCc1ccc(-c2cc(NC3CCN(C)CC3)c3cc(OC)c(OCCCN4CCC5(CC5)C4)cc3n2)o1;BBJDFTWFOONSLK-UHFFFAOYSA-N;518.7;5.83;129085367;;;CHEMBL4205136;GENER;EPAM;25;0;"<a href=https://www.ebi.ac.uk/chembl/assay_report_card/CHEMBL4195577/  target=_blank>CHEMBL4195577</a>";;;;;;;;;-5.44;;;;;;;;;;;;"Rabal O, Sánchez-Arias JA, San José-Enériz E, Agirre X, de Miguel I, Garate L, Miranda E, Sáez E, Roa S, Martínez-Climent JA, Liu Y, Wu W, Xu M, Prosper F, Oyarzabal J.: Detailed Exploration around 4-Aminoquinolines Chemical Space to Navigate the Lysine Methyltransferase G9a and DNA Methyltransferase Biological Spaces. J Med Chem, Volume 61 (15), 2018";ChEMBL
MM471873;MM471873;CC(C)=CCC12OCC3C(CN(C)C)C(C=C4C(=O)c5c(O)cccc5OC431)C2=O;DGSALVZLMXELPV-LPIQBNQASA-N;409.48;2.76;71720706;;;CHEMBL2335649;BBB;EPAM;25;0;"ph = 7.4, <a href=https://www.ebi.ac.uk/chembl/assay_report_card/CHEMBL2342435/  target=_blank>CHEMBL2342435</a>";;;;;;;;;-3.72;;;;;;;;;;;;"Zhang X, Li X, Sun H, Wang X, Zhao L, Gao Y, Liu X, Zhang S, Wang Y, Yang Y, Zeng S, Guo Q, You Q.: Garcinia  xanthones as orally active antitumor agents. J Med Chem, Volume 56 (1), 2013";ChEMBL
MM472841;MM472841;COc1ccccc1-c1nc(C)c(COc2ccc(CCC(=O)O)cc2)o1;YRLKLZDJOAVSSF-UHFFFAOYSA-N;367.4;4.25;145977098;;;CHEMBL4205247;GENER;EPAM;25;0;"<a href=https://www.ebi.ac.uk/chembl/assay_report_card/CHEMBL4184929/  target=_blank>CHEMBL4184929</a>";;;;;;;;;-3.59;;;;;;;;;;;;"Teske KA, Bogart JW, Arnold LA.: Novel VDR antagonists based on the GW0742 scaffold. Bioorg Med Chem Lett, Volume 28 (3), 2018";ChEMBL
MM474666;MM474666;COc1cc2c(NC3CC4CCC(C3)N4C)cc(-c3ccc(C)o3)nc2cc1OCCCN1CCCC1;UNRCZHRRDXQTEH-UHFFFAOYSA-N;504.68;5.71;145978072;;;CHEMBL4205373;GENER;EPAM;25;0;"<a href=https://www.ebi.ac.uk/chembl/assay_report_card/CHEMBL4195577/  target=_blank>CHEMBL4195577</a>";;;;;;;;;-6.44;;;;;;;;;;;;"Rabal O, Sánchez-Arias JA, San José-Enériz E, Agirre X, de Miguel I, Garate L, Miranda E, Sáez E, Roa S, Martínez-Climent JA, Liu Y, Wu W, Xu M, Prosper F, Oyarzabal J.: Detailed Exploration around 4-Aminoquinolines Chemical Space to Navigate the Lysine Methyltransferase G9a and DNA Methyltransferase Biological Spaces. J Med Chem, Volume 61 (15), 2018";ChEMBL
MM471883;MM471883;CCCCN(CCCC)CC1C2C=C3C(=O)c4c(O)cccc4OC34C1COC4(CC=C(C)C)C2=O;AKMLVNWGCVAXDQ-HQCJEUBQSA-N;493.64;5.1;71717024;;;CHEMBL2335653;BBB;EPAM;25;0;"ph = 7.4, <a href=https://www.ebi.ac.uk/chembl/assay_report_card/CHEMBL2342435/  target=_blank>CHEMBL2342435</a>";;;;;;;;;-4.3;;;;;;;;;;;;"Zhang X, Li X, Sun H, Wang X, Zhao L, Gao Y, Liu X, Zhang S, Wang Y, Yang Y, Zeng S, Guo Q, You Q.: Garcinia  xanthones as orally active antitumor agents. J Med Chem, Volume 56 (1), 2013";ChEMBL
MM473500;MM473500;CS(=O)(=O)N1CCN(Cc2nc3c(N4CCOCC4)nc(-c4cnc(N)nc4)c(Cl)n3n2)CC1;IZSUSVHQPBIXPL-UHFFFAOYSA-N;509;-0.27;53302364;;;CHEMBL4205584;GENER;EPAM;25;0;"<a href=https://www.ebi.ac.uk/chembl/assay_report_card/CHEMBL4179671/  target=_blank>CHEMBL4179671</a>";;;;;;;;;-5.82;;;;;;;;;;;;"Martínez González S, Hernández AI, Álvarez RM, Rodríguez A, Ramos-Lima F, Bischoff JR, Albarrán MI, Cebriá A, Hernández-Encinas E, García-Arocha J, Cebrián D, Blanco-Aparicio C, Pastor J.: Identification of novel PI3K inhibitors through a scaffold hopping strategy. Bioorg Med Chem Lett, Volume 27 (21), 2017";ChEMBL
MM471872;MM471872;CC(C)=CCC12OC[C@@H]3[C@@H](CN(CCO)CCO)[C@@H](C=C4C(=O)c5c(O)cccc5O[C@]431)C2=O;SQCQXQYVRPHUJV-RRADVTQGSA-N;469.53;1.49;;;;;BBB;EPAM;25;0;"ph = 7.4, <a href=https://www.ebi.ac.uk/chembl/assay_report_card/CHEMBL2342435/  target=_blank>CHEMBL2342435</a>";;;;;;;;;-3.71;;;;;;;;;;;;"Zhang X, Li X, Sun H, Wang X, Zhao L, Gao Y, Liu X, Zhang S, Wang Y, Yang Y, Zeng S, Guo Q, You Q.: Garcinia  xanthones as orally active antitumor agents. J Med Chem, Volume 56 (1), 2013";ChEMBL
MM471877;MM471877;CC(C)=CCC12OCC3C(COC(C)C)C(C=C4C(=O)c5c(O)cccc5OC431)C2=O;YGVBIDJABJLVOL-DGTITLQCSA-N;424.49;3.63;71720708;;;CHEMBL2335656;BBB;EPAM;25;0;"ph = 7.4, <a href=https://www.ebi.ac.uk/chembl/assay_report_card/CHEMBL2342435/  target=_blank>CHEMBL2342435</a>";;;;;;;;;-3.91;;;;;;;;;;;;"Zhang X, Li X, Sun H, Wang X, Zhao L, Gao Y, Liu X, Zhang S, Wang Y, Yang Y, Zeng S, Guo Q, You Q.: Garcinia  xanthones as orally active antitumor agents. J Med Chem, Volume 56 (1), 2013";ChEMBL
MM472845;MM472845;COc1ccccc1-c1nc(C)c(COc2ccccc2C(=O)O)o1;BQNCBDJCTMMQQF-UHFFFAOYSA-N;339.35;3.94;145978087;;;CHEMBL4205749;GENER;EPAM;25;0;"<a href=https://www.ebi.ac.uk/chembl/assay_report_card/CHEMBL4184929/  target=_blank>CHEMBL4184929</a>";;;;;;;;;-3.63;;;;;;;;;;;;"Teske KA, Bogart JW, Arnold LA.: Novel VDR antagonists based on the GW0742 scaffold. Bioorg Med Chem Lett, Volume 28 (3), 2018";ChEMBL
MM471879;MM471879;CC(C)=CCC12OCC3C(COCc4ccccc4)C(C=C4C(=O)c5c(O)cccc5OC431)C2=O;XTBWCIYKONYIDG-AQOIPSNVSA-N;472.54;4.42;71720068;;;CHEMBL2335657;BBB;EPAM;25;0;"ph = 7.4, <a href=https://www.ebi.ac.uk/chembl/assay_report_card/CHEMBL2342435/  target=_blank>CHEMBL2342435</a>";;;;;;;;;-4.08;;;;;;;;;;;;"Zhang X, Li X, Sun H, Wang X, Zhao L, Gao Y, Liu X, Zhang S, Wang Y, Yang Y, Zeng S, Guo Q, You Q.: Garcinia  xanthones as orally active antitumor agents. J Med Chem, Volume 56 (1), 2013";ChEMBL
MM472840;MM472840;COc1cccc(-c2nc(C)c(COc3ccccc3C(=O)O)o2)c1;NGLARNTYMMPJOU-UHFFFAOYSA-N;339.35;3.94;145975878;;;CHEMBL4205784;GENER;EPAM;25;0;"<a href=https://www.ebi.ac.uk/chembl/assay_report_card/CHEMBL4184929/  target=_blank>CHEMBL4184929</a>";;;;;;;;;-3.63;;;;;;;;;;;;"Teske KA, Bogart JW, Arnold LA.: Novel VDR antagonists based on the GW0742 scaffold. Bioorg Med Chem Lett, Volume 28 (3), 2018";ChEMBL
MM474658;MM474658;COc1cc2c(NC3CC4(CCN(C)CC4)C3)cc(-c3ccc(C)o3)nc2cc1OCCCN1CCCC1;UDDYBHJZHUMVFR-UHFFFAOYSA-N;518.7;5.96;118613653;;;CHEMBL4206035;GENER;EPAM;25;0;"<a href=https://www.ebi.ac.uk/chembl/assay_report_card/CHEMBL4195577/  target=_blank>CHEMBL4195577</a>";;;;;;;;;-5.98;;;;;;;;;;;;"Rabal O, Sánchez-Arias JA, San José-Enériz E, Agirre X, de Miguel I, Garate L, Miranda E, Sáez E, Roa S, Martínez-Climent JA, Liu Y, Wu W, Xu M, Prosper F, Oyarzabal J.: Detailed Exploration around 4-Aminoquinolines Chemical Space to Navigate the Lysine Methyltransferase G9a and DNA Methyltransferase Biological Spaces. J Med Chem, Volume 61 (15), 2018";ChEMBL
MM471876;MM471876;CC(=O)OCC1C2C=C3C(=O)c4c(O)cccc4OC34C1COC4(CC=C(C)C)C2=O;PJRSCTLUXRMVLG-LPIQBNQASA-N;424.45;2.77;71717025;;;CHEMBL2335659;BBB;EPAM;25;0;"ph = 7.4, <a href=https://www.ebi.ac.uk/chembl/assay_report_card/CHEMBL2342435/  target=_blank>CHEMBL2342435</a>";;;;;;;;;-3.84;;;;;;;;;;;;"Zhang X, Li X, Sun H, Wang X, Zhao L, Gao Y, Liu X, Zhang S, Wang Y, Yang Y, Zeng S, Guo Q, You Q.: Garcinia  xanthones as orally active antitumor agents. J Med Chem, Volume 56 (1), 2013";ChEMBL
MM471882;MM471882;CC(C)=CCC12OCC3C(COC(=O)Cc4ccccc4)C(C=C4C(=O)c5c(O)cccc5OC431)C2=O;VZIUOBFNNRUPAK-QBELJZEMSA-N;500.55;3.99;71717656;;;CHEMBL2335661;BBB;EPAM;25;0;"ph = 7.4, <a href=https://www.ebi.ac.uk/chembl/assay_report_card/CHEMBL2342435/  target=_blank>CHEMBL2342435</a>";;;;;;;;;-4.17;;;;;;;;;;;;"Zhang X, Li X, Sun H, Wang X, Zhao L, Gao Y, Liu X, Zhang S, Wang Y, Yang Y, Zeng S, Guo Q, You Q.: Garcinia  xanthones as orally active antitumor agents. J Med Chem, Volume 56 (1), 2013";ChEMBL
MM474330;MM474330;CS(=O)(=O)N1CCN(C(=O)c2cnc3ccc(F)cc3c2-c2ccc(C3(C#N)CC3)cc2)CC1;WIXZFNIBMHEUJH-UHFFFAOYSA-N;478.55;3.31;137628670;;;CHEMBL4206272;GENER;EPAM;25;0;"<a href=https://www.ebi.ac.uk/chembl/assay_report_card/CHEMBL4190043/  target=_blank>CHEMBL4190043</a>";;;;;;;;;-3.41;;;;;;;;;;;;"Yang SM, Martinez NJ, Yasgar A, Danchik C, Johansson C, Wang Y, Baljinnyam B, Wang AQ, Xu X, Shah P, Cheff D, Wang XS, Roth J, Lal-Nag M, Dunford JE, Oppermann U, Vasiliou V, Simeonov A, Jadhav A, Maloney DJ.: Discovery of Orally Bioavailable, Quinoline-Based Aldehyde Dehydrogenase 1A1 (ALDH1A1) Inhibitors with Potent Cellular Activity. J Med Chem, Volume 61 (11), 2018";ChEMBL
MM471881;MM471881;CC(C)=CCC12OCC3C(CN4CCN(c5ccccc5)CC4)C(C=C4C(=O)c5c(O)cccc5OC431)C2=O;FDQCMNZJDZSNSO-AKVKRZPISA-N;526.63;4.02;71718260;;;CHEMBL2335663;BBB;EPAM;25;0;"ph = 7.4, <a href=https://www.ebi.ac.uk/chembl/assay_report_card/CHEMBL2342435/  target=_blank>CHEMBL2342435</a>";;;;;;;;;-4.11;;;;;;;;;;;;"Zhang X, Li X, Sun H, Wang X, Zhao L, Gao Y, Liu X, Zhang S, Wang Y, Yang Y, Zeng S, Guo Q, You Q.: Garcinia  xanthones as orally active antitumor agents. J Med Chem, Volume 56 (1), 2013";ChEMBL
MM472830;MM472830;Cc1nc(N)c2ccn(C3CCN(C(=O)c4ccc(S(=O)(=O)F)cc4)CC3)c2n1;BSMZMGQPZSLAMT-UHFFFAOYSA-N;417.47;2.46;145977396;;;CHEMBL4206295;GENER;EPAM;25;0;"<a href=https://www.ebi.ac.uk/chembl/assay_report_card/CHEMBL4182564/  target=_blank>CHEMBL4182564</a>";;;;;;;;;-4.99;;;;;;;;;;;;"Jiao GS, Kim S, Moayeri M, Thai A, Cregar-Hernandez L, McKasson L, O'Malley S, Leppla SH, Johnson AT.: Small molecule inhibitors of anthrax edema factor. Bioorg Med Chem Lett, Volume 28 (2), 2018";ChEMBL
MM472465;MM472465;CCCCCC(C)(O)CC=CC1CCC(=O)C1CCSc1nc(C(=O)O)cs1;XSQHRDAGSMEMIV-OOCGPYGYSA-N;425.62;5.2;15979081;;;CHEMBL4206444;GENER;EPAM;25;0;"ph = 6.2, <a href=https://www.ebi.ac.uk/chembl/assay_report_card/CHEMBL4186527/  target=_blank>CHEMBL4186527</a>";;;;;;;;;-4.4;;;;;;;;;;;;"Kinoshita A, Higashino M, Yoshida K, Aratani Y, Kakuuchi A, Hanada K, Takeda H, Naganawa A, Matsuya H, Ohmoto K.: Synthesis and evaluation of a potent, well-balanced EP2/EP3 dual agonist. Bioorg Med Chem, Volume 26 (1), 2018";ChEMBL
MM471884;MM471884;CC(C)=CCc1c(O)cc(O)c2c1OC13C(=CC4C(=O)C1(CC=C(C)C)OCC3C4CN(C)C)C2=O;BFWOATMLPBMAGZ-RGAUDQMMSA-N;493.6;3.98;71718870;;;CHEMBL2335676;BBB;EPAM;25;0;"ph = 7.4, <a href=https://www.ebi.ac.uk/chembl/assay_report_card/CHEMBL2342435/  target=_blank>CHEMBL2342435</a>";;;;;;;;;-4.38;;;;;;;;;;;;"Zhang X, Li X, Sun H, Wang X, Zhao L, Gao Y, Liu X, Zhang S, Wang Y, Yang Y, Zeng S, Guo Q, You Q.: Garcinia  xanthones as orally active antitumor agents. J Med Chem, Volume 56 (1), 2013";ChEMBL
MM472858;MM472858;O=S1CC(O)(CCc2ccccc2)C1;;210.3;1.11;145975656;;;CHEMBL4206452;GENER;EPAM;25;+1,-1;"<a href=https://www.ebi.ac.uk/chembl/assay_report_card/CHEMBL4193832/  target=_blank>CHEMBL4193832</a>";;;;;;;;;-5.21;;;;;;;;;;;;"Lassalas P, Oukoloff K, Makani V, James M, Tran V, Yao Y, Huang L, Vijayendran K, Monti L, Trojanowski JQ, Lee VM, Kozlowski MC, Smith AB, Brunden KR, Ballatore C.: Evaluation of Oxetan-3-ol, Thietan-3-ol, and Derivatives Thereof as Bioisosteres of the Carboxylic Acid Functional Group. ACS Med Chem Lett, Volume 8 (8), 2017";ChEMBL
MM471887;MM471887;CC(=O)OCC1C2C=C3C(=O)c4c(O)cc(O)c(CC=C(C)C)c4OC34C1COC4(CC=C(C)C)C2=O;XAUUFNQHVHEWRB-RGAUDQMMSA-N;508.57;3.98;71720718;;;CHEMBL2336095;BBB;EPAM;25;0;"ph = 7.4, <a href=https://www.ebi.ac.uk/chembl/assay_report_card/CHEMBL2342435/  target=_blank>CHEMBL2342435</a>";;;;;;;;;-4.47;;;;;;;;;;;;"Zhang X, Li X, Sun H, Wang X, Zhao L, Gao Y, Liu X, Zhang S, Wang Y, Yang Y, Zeng S, Guo Q, You Q.: Garcinia  xanthones as orally active antitumor agents. J Med Chem, Volume 56 (1), 2013";ChEMBL
MM471878;MM471878;CC(C)=CCC12OCC3C(CN4CCCC4)C(C=C4C(=O)c5c(O)cccc5OC431)C2=O;WHJWIMGVRAXDAG-RRADVTQGSA-N;435.52;3.3;71719478;;;CHEMBL2336103;BBB;EPAM;25;0;"ph = 7.4, <a href=https://www.ebi.ac.uk/chembl/assay_report_card/CHEMBL2342435/  target=_blank>CHEMBL2342435</a>";;;;;;;;;-3.97;;;;;;;;;;;;"Zhang X, Li X, Sun H, Wang X, Zhao L, Gao Y, Liu X, Zhang S, Wang Y, Yang Y, Zeng S, Guo Q, You Q.: Garcinia  xanthones as orally active antitumor agents. J Med Chem, Volume 56 (1), 2013";ChEMBL
MM472858;MM472858;O=S1CC(O)(CCc2ccccc2)C1;;210.3;1.11;145975656;;;CHEMBL4206452;GENER;EPAM;25;+1,-1;"<a href=https://www.ebi.ac.uk/chembl/assay_report_card/CHEMBL4193834/  target=_blank>CHEMBL4193834</a>";;;;;;;;;-5.21;;;;;;;;;;;;"Lassalas P, Oukoloff K, Makani V, James M, Tran V, Yao Y, Huang L, Vijayendran K, Monti L, Trojanowski JQ, Lee VM, Kozlowski MC, Smith AB, Brunden KR, Ballatore C.: Evaluation of Oxetan-3-ol, Thietan-3-ol, and Derivatives Thereof as Bioisosteres of the Carboxylic Acid Functional Group. ACS Med Chem Lett, Volume 8 (8), 2017";ChEMBL
MM474325;MM474325;COC(=O)NC(C(=O)N1CCCC1c1nc2ccc(C3CCC(c4ccc5nc(C6CCCN6C(=O)C(NC(=O)OC)C(C)C)[nH]c5c4)N3c3ccc(N4CCOCC4)cc3)cc2[nH]1)C(C)C;NLTMESNPGKZGSV-CNGYLHDYSA-N;917.13;7.45;59616879;;;CHEMBL4206465;GENER;EPAM;25;0;"<a href=https://www.ebi.ac.uk/chembl/assay_report_card/CHEMBL4183590/  target=_blank>CHEMBL4183590</a>";;;;;;;;;-6.14;;;;;;;;;;;;"Wagner R, Randolph JT, Patel SV, Nelson L, Matulenko MA, Keddy R, Pratt JK, Liu D, Krueger AC, Donner PL, Hutchinson DK, Flentge C, Betebenner D, Rockway T, Maring CJ, Ng TI, Krishnan P, Pilot-Matias T, Collins C, Panchal N, Reisch T, Dekhtyar T, Mondal R, Stolarik DF, Gao Y, Gao W, Beno DA, Kati WM.: Highlights of the Structure-Activity Relationships of Benzimidazole Linked Pyrrolidines Leading to the Discovery of the Hepatitis C Virus NS5A Inhibitor Pibrentasvir (ABT-530). J Med Chem, Volume 61 (9), 2018";ChEMBL
MM471875;MM471875;CC(C)=CCC12OCC3C(CN4CCOCC4)C(C=C4C(=O)c5c(O)cccc5OC431)C2=O;OKZLQEMFGUVIIO-RRADVTQGSA-N;451.52;2.53;71719479;;;CHEMBL2336105;BBB;EPAM;25;0;"ph = 7.4, <a href=https://www.ebi.ac.uk/chembl/assay_report_card/CHEMBL2342435/  target=_blank>CHEMBL2342435</a>";;;;;;;;;-3.81;;;;;;;;;;;;"Zhang X, Li X, Sun H, Wang X, Zhao L, Gao Y, Liu X, Zhang S, Wang Y, Yang Y, Zeng S, Guo Q, You Q.: Garcinia  xanthones as orally active antitumor agents. J Med Chem, Volume 56 (1), 2013";ChEMBL
MM471885;MM471885;CC(C)=CCC12OCC3C(CN4CCNCC4)C(C=C4C(=O)c5c(O)cccc5OC431)C2=O;ZWUIYHCRZFZHSZ-RRADVTQGSA-N;450.54;2.11;71718274;;;CHEMBL2336106;BBB;EPAM;25;0;"ph = 7.4, <a href=https://www.ebi.ac.uk/chembl/assay_report_card/CHEMBL2342435/  target=_blank>CHEMBL2342435</a>";;;;;;;;;-4.43;;;;;;;;;;;;"Zhang X, Li X, Sun H, Wang X, Zhao L, Gao Y, Liu X, Zhang S, Wang Y, Yang Y, Zeng S, Guo Q, You Q.: Garcinia  xanthones as orally active antitumor agents. J Med Chem, Volume 56 (1), 2013";ChEMBL
MM474329;MM474329;CS(=O)(=O)N1CCN(C(=O)c2cnc3ccc(F)cc3c2N2CCC(C#N)(c3ccccc3)CC2)CC1;XMNLWOQHMQRHDV-UHFFFAOYSA-N;521.62;3.15;134821685;;;CHEMBL4206892;GENER;EPAM;25;0;"<a href=https://www.ebi.ac.uk/chembl/assay_report_card/CHEMBL4190043/  target=_blank>CHEMBL4190043</a>";;;;;;;;;-3.14;;;;;;;;;;;;"Yang SM, Martinez NJ, Yasgar A, Danchik C, Johansson C, Wang Y, Baljinnyam B, Wang AQ, Xu X, Shah P, Cheff D, Wang XS, Roth J, Lal-Nag M, Dunford JE, Oppermann U, Vasiliou V, Simeonov A, Jadhav A, Maloney DJ.: Discovery of Orally Bioavailable, Quinoline-Based Aldehyde Dehydrogenase 1A1 (ALDH1A1) Inhibitors with Potent Cellular Activity. J Med Chem, Volume 61 (11), 2018";ChEMBL
MM472466;MM472466;CC1OC(=O)N(CCSc2nc(C(=O)O)cs2)C1C=CCC(C)(O)CC1CCCCC1;VDUNEFVYKGXIEE-MOAPDNCFSA-N;468.64;4.81;66858036;;;CHEMBL4207054;GENER;EPAM;25;0;"ph = 6.2, <a href=https://www.ebi.ac.uk/chembl/assay_report_card/CHEMBL4186527/  target=_blank>CHEMBL4186527</a>";;;;;;;;;-4.72;;;;;;;;;;;;"Kinoshita A, Higashino M, Yoshida K, Aratani Y, Kakuuchi A, Hanada K, Takeda H, Naganawa A, Matsuya H, Ohmoto K.: Synthesis and evaluation of a potent, well-balanced EP2/EP3 dual agonist. Bioorg Med Chem, Volume 26 (1), 2018";ChEMBL
MM471874;MM471874;CC(C)=CCC12OCC3C(CN4CCN(C)CC4)C(C=C4C(=O)c5c(O)cccc5OC431)C2=O;ZHNYTCAVYDPJHL-FAJRVWBFSA-N;464.56;2.45;71717670;;;CHEMBL2336107;BBB;EPAM;25;0;"ph = 7.4, <a href=https://www.ebi.ac.uk/chembl/assay_report_card/CHEMBL2342435/  target=_blank>CHEMBL2342435</a>";;;;;;;;;-3.81;;;;;;;;;;;;"Zhang X, Li X, Sun H, Wang X, Zhao L, Gao Y, Liu X, Zhang S, Wang Y, Yang Y, Zeng S, Guo Q, You Q.: Garcinia  xanthones as orally active antitumor agents. J Med Chem, Volume 56 (1), 2013";ChEMBL
MM471886;MM471886;CC(C)=CCC12OCC3C(CN4CCOCC4)C(C=C4C(=O)c5c(O)cc6c(c5OC431)C=CC(C)(C)O6)C2=O;CNZPDAQEGUHBIG-GPLVRGGGSA-N;533.62;3.72;71716437;;;CHEMBL2336111;BBB;EPAM;25;0;"ph = 7.4, <a href=https://www.ebi.ac.uk/chembl/assay_report_card/CHEMBL2342435/  target=_blank>CHEMBL2342435</a>";;;;;;;;;-4.44;;;;;;;;;;;;"Zhang X, Li X, Sun H, Wang X, Zhao L, Gao Y, Liu X, Zhang S, Wang Y, Yang Y, Zeng S, Guo Q, You Q.: Garcinia  xanthones as orally active antitumor agents. J Med Chem, Volume 56 (1), 2013";ChEMBL
MM474652;MM474652;O=C(O)c1ccncc1NCC1CCCc2cc(Oc3ccccc3)ccc21;RUIDTLFWDJICDV-KRWDZBQOSA-N;374.44;5.1;145976182;;;CHEMBL4207071;GENER;EPAM;25;0;"<a href=https://www.ebi.ac.uk/chembl/assay_report_card/CHEMBL4193849/  target=_blank>CHEMBL4193849</a>";;;;;;;;;-5.49;;;;;;;;;;;;"Chen YK, Bonaldi T, Cuomo A, Del Rosario JR, Hosfield DJ, Kanouni T, Kao SC, Lai C, Lobo NA, Matuszkiewicz J, McGeehan A, O'Connell SM, Shi L, Stafford JA, Stansfield RK, Veal JM, Weiss MS, Yuen NY, Wallace MB.: Design of KDM4 Inhibitors with Antiproliferative Effects in Cancer Models. ACS Med Chem Lett, Volume 8 (8), 2017";ChEMBL
MM472834;MM472834;Nc1cc(OCCCNCc2ccc(S(=O)(=O)F)cc2)ccn1;ACXPNANZFJLCTM-UHFFFAOYSA-N;339.39;1.88;145978141;;;CHEMBL4207125;GENER;EPAM;25;0;"<a href=https://www.ebi.ac.uk/chembl/assay_report_card/CHEMBL4182564/  target=_blank>CHEMBL4182564</a>";;;;;;;;;-8;;;;;;;;;;;;"Jiao GS, Kim S, Moayeri M, Thai A, Cregar-Hernandez L, McKasson L, O'Malley S, Leppla SH, Johnson AT.: Small molecule inhibitors of anthrax edema factor. Bioorg Med Chem Lett, Volume 28 (2), 2018";ChEMBL
MM471889;MM471889;CC(C)=CCc1c(O)cc2c(c1O)C(=O)C1=CC3C(=O)C4(CC=C(C)C)OCC(C3CN3CCOCC3)C14O2;XWMXKRFKQNHZRZ-BSIBGSSKSA-N;535.64;3.75;71720721;;;CHEMBL2336118;BBB;EPAM;25;0;"ph = 7.4, <a href=https://www.ebi.ac.uk/chembl/assay_report_card/CHEMBL2342435/  target=_blank>CHEMBL2342435</a>";;;;;;;;;-4.55;;;;;;;;;;;;"Zhang X, Li X, Sun H, Wang X, Zhao L, Gao Y, Liu X, Zhang S, Wang Y, Yang Y, Zeng S, Guo Q, You Q.: Garcinia  xanthones as orally active antitumor agents. J Med Chem, Volume 56 (1), 2013";ChEMBL
MM471880;MM471880;CC(C)=CCC12OC(C)(C)C3CC(C=C4C(=O)c5c(O)cccc5OC431)C2=O;XZPYBDPGHSLINX-OHTINKFRSA-N;380.44;3.76;71720741;;;CHEMBL2336600;BBB;EPAM;25;0;"ph = 7.4, <a href=https://www.ebi.ac.uk/chembl/assay_report_card/CHEMBL2342435/  target=_blank>CHEMBL2342435</a>";;;;;;;;;-4.11;;;;;;;;;;;;"Zhang X, Li X, Sun H, Wang X, Zhao L, Gao Y, Liu X, Zhang S, Wang Y, Yang Y, Zeng S, Guo Q, You Q.: Garcinia  xanthones as orally active antitumor agents. J Med Chem, Volume 56 (1), 2013";ChEMBL
MM474664;MM474664;COc1cc2c(NC3C4CCC3CN(C)C4)cc(-c3ccc(C)o3)nc2cc1OCCCN1CCCC1;KXENQCUVSMIIGA-UHFFFAOYSA-N;504.68;5.43;145975217;;;CHEMBL4207331;GENER;EPAM;25;0;"<a href=https://www.ebi.ac.uk/chembl/assay_report_card/CHEMBL4195577/  target=_blank>CHEMBL4195577</a>";;;;;;;;;-5.47;;;;;;;;;;;;"Rabal O, Sánchez-Arias JA, San José-Enériz E, Agirre X, de Miguel I, Garate L, Miranda E, Sáez E, Roa S, Martínez-Climent JA, Liu Y, Wu W, Xu M, Prosper F, Oyarzabal J.: Detailed Exploration around 4-Aminoquinolines Chemical Space to Navigate the Lysine Methyltransferase G9a and DNA Methyltransferase Biological Spaces. J Med Chem, Volume 61 (15), 2018";ChEMBL
MM471888;MM471888;CC(C)=CCC12OC(C)(C)C3CC(C=C4C(=O)c5ccccc5OC431)C2=O;ZWXWLIRGVCGFJK-PUVDAUEISA-N;364.44;4.05;71719494;;;CHEMBL2336601;BBB;EPAM;25;0;"ph = 7.4, <a href=https://www.ebi.ac.uk/chembl/assay_report_card/CHEMBL2342435/  target=_blank>CHEMBL2342435</a>";;;;;;;;;-4.53;;;;;;;;;;;;"Zhang X, Li X, Sun H, Wang X, Zhao L, Gao Y, Liu X, Zhang S, Wang Y, Yang Y, Zeng S, Guo Q, You Q.: Garcinia  xanthones as orally active antitumor agents. J Med Chem, Volume 56 (1), 2013";ChEMBL
MM472853;MM472853;COC(=O)c1ccc(OCc2oc(-c3ccccc3OC)nc2C)cc1;SRSMLFMLORSOQO-UHFFFAOYSA-N;353.37;4.02;145976191;;;CHEMBL4207360;GENER;EPAM;25;0;"<a href=https://www.ebi.ac.uk/chembl/assay_report_card/CHEMBL4184929/  target=_blank>CHEMBL4184929</a>";;;;;;;;;-3.35;;;;;;;;;;;;"Teske KA, Bogart JW, Arnold LA.: Novel VDR antagonists based on the GW0742 scaffold. Bioorg Med Chem Lett, Volume 28 (3), 2018";ChEMBL
MM474668;MM474668;CCc1ccc(-c2cc(NC3CCN(C)CC3)c3cc(OC)c(OCCCN(C)C)cc3n2)o1;AJHIQURHJXOCCP-UHFFFAOYSA-N;466.63;4.9;129085366;;;CHEMBL4207526;GENER;EPAM;25;0;"<a href=https://www.ebi.ac.uk/chembl/assay_report_card/CHEMBL4195577/  target=_blank>CHEMBL4195577</a>";;;;;;;;;-5.83;;;;;;;;;;;;"Rabal O, Sánchez-Arias JA, San José-Enériz E, Agirre X, de Miguel I, Garate L, Miranda E, Sáez E, Roa S, Martínez-Climent JA, Liu Y, Wu W, Xu M, Prosper F, Oyarzabal J.: Detailed Exploration around 4-Aminoquinolines Chemical Space to Navigate the Lysine Methyltransferase G9a and DNA Methyltransferase Biological Spaces. J Med Chem, Volume 61 (15), 2018";ChEMBL
MM474655;MM474655;COc1cc2c(NCC3CCN(C)CC3)cc(-c3ccc(C)o3)nc2cc1OCCCN1CCCC1;VMMRDFLDWHFNOX-UHFFFAOYSA-N;492.66;5.43;118613729;;;CHEMBL4208004;GENER;EPAM;25;0;"<a href=https://www.ebi.ac.uk/chembl/assay_report_card/CHEMBL4195577/  target=_blank>CHEMBL4195577</a>";;;;;;;;;-5.96;;;;;;;;;;;;"Rabal O, Sánchez-Arias JA, San José-Enériz E, Agirre X, de Miguel I, Garate L, Miranda E, Sáez E, Roa S, Martínez-Climent JA, Liu Y, Wu W, Xu M, Prosper F, Oyarzabal J.: Detailed Exploration around 4-Aminoquinolines Chemical Space to Navigate the Lysine Methyltransferase G9a and DNA Methyltransferase Biological Spaces. J Med Chem, Volume 61 (15), 2018";ChEMBL
MM474671;MM474671;COc1cc2c(NC3CCN(C)CC3)cc(-c3ccc(C)o3)nc2cc1OCC1CCNCC1;RUPLHSKMNNTYKA-UHFFFAOYSA-N;464.61;4.7;118607373;;;CHEMBL4208010;GENER;EPAM;25;0;"<a href=https://www.ebi.ac.uk/chembl/assay_report_card/CHEMBL4195577/  target=_blank>CHEMBL4195577</a>";;;;;;;;;-6.54;;;;;;;;;;;;"Rabal O, Sánchez-Arias JA, San José-Enériz E, Agirre X, de Miguel I, Garate L, Miranda E, Sáez E, Roa S, Martínez-Climent JA, Liu Y, Wu W, Xu M, Prosper F, Oyarzabal J.: Detailed Exploration around 4-Aminoquinolines Chemical Space to Navigate the Lysine Methyltransferase G9a and DNA Methyltransferase Biological Spaces. J Med Chem, Volume 61 (15), 2018";ChEMBL
MM473498;MM473498;CS(=O)(=O)N1CCN(Cc2cn3nc(-c4cnc(N)nc4)nc(N4CCOCC4)c3n2)CC1;MZDVYDDLVZYLGV-UHFFFAOYSA-N;474.55;-0.92;71273460;;;CHEMBL4208064;GENER;EPAM;25;0;"<a href=https://www.ebi.ac.uk/chembl/assay_report_card/CHEMBL4179671/  target=_blank>CHEMBL4179671</a>";;;;;;;;;-5.45;;;;;;;;;;;;"Martínez González S, Hernández AI, Álvarez RM, Rodríguez A, Ramos-Lima F, Bischoff JR, Albarrán MI, Cebriá A, Hernández-Encinas E, García-Arocha J, Cebrián D, Blanco-Aparicio C, Pastor J.: Identification of novel PI3K inhibitors through a scaffold hopping strategy. Bioorg Med Chem Lett, Volume 27 (21), 2017";ChEMBL
MM474326;MM474326;COC(=O)NC(C(=O)N1CCCC1c1nc2ccc(C3CCC(c4ccc5nc(C6CCCN6C(=O)C(NC(=O)OC)C(C)C)[nH]c5c4)N3c3ccc(N4CCCCC4)c(F)c3)cc2[nH]1)C(C)C;LAOZJXLKWOJSFL-PSVUFWHMSA-N;933.14;8.74;58031918;;;CHEMBL4208073;GENER;EPAM;25;0;"<a href=https://www.ebi.ac.uk/chembl/assay_report_card/CHEMBL4183590/  target=_blank>CHEMBL4183590</a>";;;;;;;;;-8;;;;;;;;;;;;"Wagner R, Randolph JT, Patel SV, Nelson L, Matulenko MA, Keddy R, Pratt JK, Liu D, Krueger AC, Donner PL, Hutchinson DK, Flentge C, Betebenner D, Rockway T, Maring CJ, Ng TI, Krishnan P, Pilot-Matias T, Collins C, Panchal N, Reisch T, Dekhtyar T, Mondal R, Stolarik DF, Gao Y, Gao W, Beno DA, Kati WM.: Highlights of the Structure-Activity Relationships of Benzimidazole Linked Pyrrolidines Leading to the Discovery of the Hepatitis C Virus NS5A Inhibitor Pibrentasvir (ABT-530). J Med Chem, Volume 61 (9), 2018";ChEMBL
MM473548;MM473548;Cn1cc2c3c(c[nH]c3c1=O)CN(c1ccccn1)c1ccc(CS(C)(=O)=O)cc1-2;LJLJARSDBHJRGG-UHFFFAOYSA-N;420.49;3.12;78425807;;;CHEMBL4208129;GENER;EPAM;25;0;"<a href=https://www.ebi.ac.uk/chembl/assay_report_card/CHEMBL4194889/  target=_blank>CHEMBL4194889</a>";;;;;;;;;-5.22;;;;;;;;;;;;"Fidanze SD, Liu D, Mantei RA, Hasvold LA, Pratt JK, Sheppard GS, Wang L, Holms JH, Dai Y, Aguirre A, Bogdan A, Dietrich JD, Marjanovic J, Park CH, Hutchins CW, Lin X, Bui MH, Huang X, Wilcox D, Li L, Wang R, Kovar P, Magoc TJ, Rajaraman G, Albert DH, Shen Y, Kati WM, McDaniel KF.: Discovery and optimization of novel constrained pyrrolopyridone BET family inhibitors. Bioorg Med Chem Lett, Volume 28 (10), 2018";ChEMBL
MM473545;MM473545;Cn1cc2c3c(c[nH]c3c1=O)CN(C1CCC(F)(F)CC1)c1ccc(CS(C)(=O)=O)cc1-2;UBDHSLJGTMISPN-UHFFFAOYSA-N;461.53;3.98;86271129;;;CHEMBL4208136;GENER;EPAM;25;0;"<a href=https://www.ebi.ac.uk/chembl/assay_report_card/CHEMBL4194889/  target=_blank>CHEMBL4194889</a>";;;;;;;;;-5.14;;;;;;;;;;;;"Fidanze SD, Liu D, Mantei RA, Hasvold LA, Pratt JK, Sheppard GS, Wang L, Holms JH, Dai Y, Aguirre A, Bogdan A, Dietrich JD, Marjanovic J, Park CH, Hutchins CW, Lin X, Bui MH, Huang X, Wilcox D, Li L, Wang R, Kovar P, Magoc TJ, Rajaraman G, Albert DH, Shen Y, Kati WM, McDaniel KF.: Discovery and optimization of novel constrained pyrrolopyridone BET family inhibitors. Bioorg Med Chem Lett, Volume 28 (10), 2018";ChEMBL
MM473507;MM473507;CN(C)C1CCN(C(=O)c2ccc(-c3cn4c(-c5ccc(C#N)cc5)cnc4cn3)cc2)CC1;HIPFDFQYWKJHND-UHFFFAOYSA-N;450.55;4.1;89826796;;;CHEMBL4208246;GENER;EPAM;25;0;"<a href=https://www.ebi.ac.uk/chembl/assay_report_card/CHEMBL4189500/  target=_blank>CHEMBL4189500</a>";;;;;;;;;-4.19;;;;;;;;;;;;"Yang H, Chennamaneni LR, Ho MWT, Ang SH, Tan ESW, Jeyaraj DA, Yeap YS, Liu B, Ong EH, Joy JK, Wee JLK, Kwek P, Retna P, Dinie N, Nguyen TTH, Tai SJ, Manoharan V, Pendharkar V, Low CB, Chew YS, Vuddagiri S, Sangthongpitag K, Choong ML, Lee MA, Kannan S, Verma CS, Poulsen A, Lim S, Chuah C, Ong TS, Hill J, Matter A, Nacro K.: Optimization of Selective Mitogen-Activated Protein Kinase Interacting Kinases 1 and 2 Inhibitors for the Treatment of Blast Crisis Leukemia. J Med Chem, Volume 61 (10), 2018";ChEMBL
MM473523;MM473523;N#Cc1ccc(-c2cnc3ccc(-c4ccc(C(=O)N5CCNCC5)cc4)nn23)cc1;TVBANCDFRJJEKJ-UHFFFAOYSA-N;408.47;2.98;89835558;;;CHEMBL4208772;GENER;EPAM;25;0;"<a href=https://www.ebi.ac.uk/chembl/assay_report_card/CHEMBL4189500/  target=_blank>CHEMBL4189500</a>";;;;;;;;;-4.34;;;;;;;;;;;;"Yang H, Chennamaneni LR, Ho MWT, Ang SH, Tan ESW, Jeyaraj DA, Yeap YS, Liu B, Ong EH, Joy JK, Wee JLK, Kwek P, Retna P, Dinie N, Nguyen TTH, Tai SJ, Manoharan V, Pendharkar V, Low CB, Chew YS, Vuddagiri S, Sangthongpitag K, Choong ML, Lee MA, Kannan S, Verma CS, Poulsen A, Lim S, Chuah C, Ong TS, Hill J, Matter A, Nacro K.: Optimization of Selective Mitogen-Activated Protein Kinase Interacting Kinases 1 and 2 Inhibitors for the Treatment of Blast Crisis Leukemia. J Med Chem, Volume 61 (10), 2018";ChEMBL
MM474661;MM474661;COc1cc2c(NC3CCC34CCN(C)CC4)cc(-c3ccc(C)o3)nc2cc1OCCCN1CCCC1;FWEMDGGXZBEQDX-UHFFFAOYSA-N;518.7;5.96;118613658;;;CHEMBL4208812;GENER;EPAM;25;0;"<a href=https://www.ebi.ac.uk/chembl/assay_report_card/CHEMBL4195577/  target=_blank>CHEMBL4195577</a>";;;;;;;;;-5.8;;;;;;;;;;;;"Rabal O, Sánchez-Arias JA, San José-Enériz E, Agirre X, de Miguel I, Garate L, Miranda E, Sáez E, Roa S, Martínez-Climent JA, Liu Y, Wu W, Xu M, Prosper F, Oyarzabal J.: Detailed Exploration around 4-Aminoquinolines Chemical Space to Navigate the Lysine Methyltransferase G9a and DNA Methyltransferase Biological Spaces. J Med Chem, Volume 61 (15), 2018";ChEMBL
MM473508;MM473508;CC(=O)N1CCN(C(=O)c2ccc(-c3cn4c(-c5ccc(O)cc5)cnc4cn3)cc2)CC1;KJZWOUQMPQCYIK-UHFFFAOYSA-N;441.49;3.07;145964697;;;CHEMBL4208890;GENER;EPAM;25;0;"<a href=https://www.ebi.ac.uk/chembl/assay_report_card/CHEMBL4189500/  target=_blank>CHEMBL4189500</a>";;;;;;;;;-5.55;;;;;;;;;;;;"Yang H, Chennamaneni LR, Ho MWT, Ang SH, Tan ESW, Jeyaraj DA, Yeap YS, Liu B, Ong EH, Joy JK, Wee JLK, Kwek P, Retna P, Dinie N, Nguyen TTH, Tai SJ, Manoharan V, Pendharkar V, Low CB, Chew YS, Vuddagiri S, Sangthongpitag K, Choong ML, Lee MA, Kannan S, Verma CS, Poulsen A, Lim S, Chuah C, Ong TS, Hill J, Matter A, Nacro K.: Optimization of Selective Mitogen-Activated Protein Kinase Interacting Kinases 1 and 2 Inhibitors for the Treatment of Blast Crisis Leukemia. J Med Chem, Volume 61 (10), 2018";ChEMBL
MM472835;MM472835;Nc1cc(OCCCNC(=O)c2ccc(S(=O)(=O)F)cc2)ccn1;OUEDRONOCICJBQ-UHFFFAOYSA-N;353.38;1.52;145967052;;;CHEMBL4208943;GENER;EPAM;25;0;"<a href=https://www.ebi.ac.uk/chembl/assay_report_card/CHEMBL4182564/  target=_blank>CHEMBL4182564</a>";;;;;;;;;-6.44;;;;;;;;;;;;"Jiao GS, Kim S, Moayeri M, Thai A, Cregar-Hernandez L, McKasson L, O'Malley S, Leppla SH, Johnson AT.: Small molecule inhibitors of anthrax edema factor. Bioorg Med Chem Lett, Volume 28 (2), 2018";ChEMBL
MM472847;MM472847;COC(=O)Cc1ccc(OCc2oc(-c3cccc(OC)c3)nc2C)cc1;GFUKCIXVOZBJQK-UHFFFAOYSA-N;367.4;3.95;145965425;;;CHEMBL4209440;GENER;EPAM;25;0;"<a href=https://www.ebi.ac.uk/chembl/assay_report_card/CHEMBL4184929/  target=_blank>CHEMBL4184929</a>";;;;;;;;;-3.32;;;;;;;;;;;;"Teske KA, Bogart JW, Arnold LA.: Novel VDR antagonists based on the GW0742 scaffold. Bioorg Med Chem Lett, Volume 28 (3), 2018";ChEMBL
MM473518;MM473518;CN1CCN(C(=O)c2ccc(-c3cn4c(-c5ccc(O)cc5)cnc4cn3)cc2)CC1;ZROBKNPXIOQRBD-UHFFFAOYSA-N;413.48;3.16;136623815;;;CHEMBL4209496;GENER;EPAM;25;0;"<a href=https://www.ebi.ac.uk/chembl/assay_report_card/CHEMBL4189500/  target=_blank>CHEMBL4189500</a>";;;;;;;;;-4.46;;;;;;;;;;;;"Yang H, Chennamaneni LR, Ho MWT, Ang SH, Tan ESW, Jeyaraj DA, Yeap YS, Liu B, Ong EH, Joy JK, Wee JLK, Kwek P, Retna P, Dinie N, Nguyen TTH, Tai SJ, Manoharan V, Pendharkar V, Low CB, Chew YS, Vuddagiri S, Sangthongpitag K, Choong ML, Lee MA, Kannan S, Verma CS, Poulsen A, Lim S, Chuah C, Ong TS, Hill J, Matter A, Nacro K.: Optimization of Selective Mitogen-Activated Protein Kinase Interacting Kinases 1 and 2 Inhibitors for the Treatment of Blast Crisis Leukemia. J Med Chem, Volume 61 (10), 2018";ChEMBL
MM472843;MM472843;COc1ccccc1-c1nc(C)c(COc2ccc(C(=O)O)cc2)o1;MFBJHAACEMGJFK-UHFFFAOYSA-N;339.35;3.94;145965895;;;CHEMBL4209627;GENER;EPAM;25;0;"<a href=https://www.ebi.ac.uk/chembl/assay_report_card/CHEMBL4184929/  target=_blank>CHEMBL4184929</a>";;;;;;;;;-3.67;;;;;;;;;;;;"Teske KA, Bogart JW, Arnold LA.: Novel VDR antagonists based on the GW0742 scaffold. Bioorg Med Chem Lett, Volume 28 (3), 2018";ChEMBL
MM472833;MM472833;Nc1cc(OC2CCN(C(=O)c3ccc(S(=O)(=O)F)cc3)CC2)ccn1;JZCRDRWTEAZDJD-UHFFFAOYSA-N;379.41;2.01;145964280;;;CHEMBL4209678;GENER;EPAM;25;0;"<a href=https://www.ebi.ac.uk/chembl/assay_report_card/CHEMBL4182564/  target=_blank>CHEMBL4182564</a>";;;;;;;;;-5.11;;;;;;;;;;;;"Jiao GS, Kim S, Moayeri M, Thai A, Cregar-Hernandez L, McKasson L, O'Malley S, Leppla SH, Johnson AT.: Small molecule inhibitors of anthrax edema factor. Bioorg Med Chem Lett, Volume 28 (2), 2018";ChEMBL
MM472823;MM472823;Nc1ncnc2c1ncn2C1CCN(C(=O)c2ccc(S(=O)(=O)F)cc2)CC1;NVKCMEFGMGNTPO-UHFFFAOYSA-N;404.43;1.54;145964953;;;CHEMBL4209693;GENER;EPAM;25;0;"<a href=https://www.ebi.ac.uk/chembl/assay_report_card/CHEMBL4182564/  target=_blank>CHEMBL4182564</a>";;;;;;;;;-8;;;;;;;;;;;;"Jiao GS, Kim S, Moayeri M, Thai A, Cregar-Hernandez L, McKasson L, O'Malley S, Leppla SH, Johnson AT.: Small molecule inhibitors of anthrax edema factor. Bioorg Med Chem Lett, Volume 28 (2), 2018";ChEMBL
MM473510;MM473510;O=C(c1ccc(-c2cn3c(-c4ccc(O)cc4)cnc3cn2)cc1)N1CCOCC1;FXUCGEVPOQUSIH-UHFFFAOYSA-N;400.44;3.24;136273088;;;CHEMBL4209905;GENER;EPAM;25;0;"<a href=https://www.ebi.ac.uk/chembl/assay_report_card/CHEMBL4189500/  target=_blank>CHEMBL4189500</a>";;;;;;;;;-4.3;;;;;;;;;;;;"Yang H, Chennamaneni LR, Ho MWT, Ang SH, Tan ESW, Jeyaraj DA, Yeap YS, Liu B, Ong EH, Joy JK, Wee JLK, Kwek P, Retna P, Dinie N, Nguyen TTH, Tai SJ, Manoharan V, Pendharkar V, Low CB, Chew YS, Vuddagiri S, Sangthongpitag K, Choong ML, Lee MA, Kannan S, Verma CS, Poulsen A, Lim S, Chuah C, Ong TS, Hill J, Matter A, Nacro K.: Optimization of Selective Mitogen-Activated Protein Kinase Interacting Kinases 1 and 2 Inhibitors for the Treatment of Blast Crisis Leukemia. J Med Chem, Volume 61 (10), 2018";ChEMBL
MM472468;MM472468;CCCCCC(C)(O)CC=CC1COC(=O)N1CCSc1nc(C(=O)O)cs1;WSOCKOXJPAJUMP-UXKPEMIOSA-N;428.58;4.03;66857988;;;CHEMBL4209929;GENER;EPAM;25;0;"ph = 6.2, <a href=https://www.ebi.ac.uk/chembl/assay_report_card/CHEMBL4186527/  target=_blank>CHEMBL4186527</a>";;;;;;;;;-5.54;;;;;;;;;;;;"Kinoshita A, Higashino M, Yoshida K, Aratani Y, Kakuuchi A, Hanada K, Takeda H, Naganawa A, Matsuya H, Ohmoto K.: Synthesis and evaluation of a potent, well-balanced EP2/EP3 dual agonist. Bioorg Med Chem, Volume 26 (1), 2018";ChEMBL
MM474670;MM474670;CCc1ccc(-c2cc(NC3CCN(C)CC3)c3cc(OC)c(OCCCN4CCCCC4)cc3n2)o1;HXTSAISPABOHHN-UHFFFAOYSA-N;506.69;5.83;129085365;;;CHEMBL4210033;GENER;EPAM;25;0;"<a href=https://www.ebi.ac.uk/chembl/assay_report_card/CHEMBL4195577/  target=_blank>CHEMBL4195577</a>";;;;;;;;;-6.08;;;;;;;;;;;;"Rabal O, Sánchez-Arias JA, San José-Enériz E, Agirre X, de Miguel I, Garate L, Miranda E, Sáez E, Roa S, Martínez-Climent JA, Liu Y, Wu W, Xu M, Prosper F, Oyarzabal J.: Detailed Exploration around 4-Aminoquinolines Chemical Space to Navigate the Lysine Methyltransferase G9a and DNA Methyltransferase Biological Spaces. J Med Chem, Volume 61 (15), 2018";ChEMBL
MM473544;MM473544;Cn1cc2c3c(c[nH]c(=O)c31)CN(CC1CC1)c1ccc(CS(C)(=O)=O)cc1-2;PIHQGPVOVWMLAH-UHFFFAOYSA-N;397.5;2.81;78320817;;;CHEMBL4210131;GENER;EPAM;25;0;"<a href=https://www.ebi.ac.uk/chembl/assay_report_card/CHEMBL4194889/  target=_blank>CHEMBL4194889</a>";;;;;;;;;-5.6;;;;;;;;;;;;"Fidanze SD, Liu D, Mantei RA, Hasvold LA, Pratt JK, Sheppard GS, Wang L, Holms JH, Dai Y, Aguirre A, Bogdan A, Dietrich JD, Marjanovic J, Park CH, Hutchins CW, Lin X, Bui MH, Huang X, Wilcox D, Li L, Wang R, Kovar P, Magoc TJ, Rajaraman G, Albert DH, Shen Y, Kati WM, McDaniel KF.: Discovery and optimization of novel constrained pyrrolopyridone BET family inhibitors. Bioorg Med Chem Lett, Volume 28 (10), 2018";ChEMBL
MM472842;MM472842;COc1ccccc1-c1nc(C)c(COc2ccc(CC(=O)O)cc2)o1;RFDFZQHRBRPMGD-UHFFFAOYSA-N;353.37;3.86;145965684;;;CHEMBL4210149;GENER;EPAM;25;0;"<a href=https://www.ebi.ac.uk/chembl/assay_report_card/CHEMBL4184929/  target=_blank>CHEMBL4184929</a>";;;;;;;;;-3.72;;;;;;;;;;;;"Teske KA, Bogart JW, Arnold LA.: Novel VDR antagonists based on the GW0742 scaffold. Bioorg Med Chem Lett, Volume 28 (3), 2018";ChEMBL
MM472852;MM472852;COC(=O)Cc1ccc(OCc2oc(-c3ccccc3OC)nc2C)cc1;GWVLKHYLZIYXAO-UHFFFAOYSA-N;367.4;3.95;145964530;;;CHEMBL4210210;GENER;EPAM;25;0;"<a href=https://www.ebi.ac.uk/chembl/assay_report_card/CHEMBL4184929/  target=_blank>CHEMBL4184929</a>";;;;;;;;;-3.56;;;;;;;;;;;;"Teske KA, Bogart JW, Arnold LA.: Novel VDR antagonists based on the GW0742 scaffold. Bioorg Med Chem Lett, Volume 28 (3), 2018";ChEMBL
MM472824;MM472824;Cc1nc(N)c2ncn(C3CCN(Cc4ccc(S(=O)(=O)F)cc4)CC3)c2n1;NCBOVQFRUVFWEM-UHFFFAOYSA-N;404.47;2.21;145965950;;;CHEMBL4210973;GENER;EPAM;25;0;"<a href=https://www.ebi.ac.uk/chembl/assay_report_card/CHEMBL4182564/  target=_blank>CHEMBL4182564</a>";;;;;;;;;-4.05;;;;;;;;;;;;"Jiao GS, Kim S, Moayeri M, Thai A, Cregar-Hernandez L, McKasson L, O'Malley S, Leppla SH, Johnson AT.: Small molecule inhibitors of anthrax edema factor. Bioorg Med Chem Lett, Volume 28 (2), 2018";ChEMBL
MM472850;MM472850;COC(=O)c1ccccc1OCc1oc(-c2cccc(OC)c2)nc1C;WCDXOQLDSYHFNS-UHFFFAOYSA-N;353.37;4.02;145964785;;;CHEMBL4211209;GENER;EPAM;25;0;"<a href=https://www.ebi.ac.uk/chembl/assay_report_card/CHEMBL4184929/  target=_blank>CHEMBL4184929</a>";;;;;;;;;-3.29;;;;;;;;;;;;"Teske KA, Bogart JW, Arnold LA.: Novel VDR antagonists based on the GW0742 scaffold. Bioorg Med Chem Lett, Volume 28 (3), 2018";ChEMBL
MM473503;MM473503;CN1CCN(c2ccc(CNc3nc(N4CCOCC4)nc4c3ncn4-c3cccc(F)c3)nc2)CC1;DUDGJCLIJOMHFB-UHFFFAOYSA-N;503.59;2.55;145965254;;;CHEMBL4211222;GENER;EPAM;25;0;"<a href=https://www.ebi.ac.uk/chembl/assay_report_card/CHEMBL4187220/  target=_blank>CHEMBL4187220</a>";;;;;;;;;-5.15;;;;;;;;;;;;"Monastyrskyi A, Nilchan N, Quereda V, Noguchi Y, Ruiz C, Grant W, Cameron M, Duckett D, Roush W.: Development of dual casein kinase 1δ/1ε (CK1δ/ε) inhibitors for treatment of breast cancer. Bioorg Med Chem, Volume 26 (3), 2018";ChEMBL
MM473506;MM473506;Fc1cccc(-n2cnc3c(NCc4nc5c(F)c(F)ccc5[nH]4)nc(N4CCOCC4)nc32)c1;CEBMEQPREMCWOL-UHFFFAOYSA-N;480.45;3.56;60196195;;;CHEMBL4211454;GENER;EPAM;25;0;"<a href=https://www.ebi.ac.uk/chembl/assay_report_card/CHEMBL4187220/  target=_blank>CHEMBL4187220</a>";;;;;;;;;-6.4;;;;;;;;;;;;"Monastyrskyi A, Nilchan N, Quereda V, Noguchi Y, Ruiz C, Grant W, Cameron M, Duckett D, Roush W.: Development of dual casein kinase 1δ/1ε (CK1δ/ε) inhibitors for treatment of breast cancer. Bioorg Med Chem, Volume 26 (3), 2018";ChEMBL
MM473520;MM473520;N#Cc1ccc(-c2cnc3ccc(-c4ccc(C(=O)N5CCOCC5)cc4)cn23)cc1;FWRFPHJSGLYXTD-UHFFFAOYSA-N;408.46;4.01;71766360;;;CHEMBL4211649;GENER;EPAM;25;0;"<a href=https://www.ebi.ac.uk/chembl/assay_report_card/CHEMBL4189500/  target=_blank>CHEMBL4189500</a>";;;;;;;;;-4.13;;;;;;;;;;;;"Yang H, Chennamaneni LR, Ho MWT, Ang SH, Tan ESW, Jeyaraj DA, Yeap YS, Liu B, Ong EH, Joy JK, Wee JLK, Kwek P, Retna P, Dinie N, Nguyen TTH, Tai SJ, Manoharan V, Pendharkar V, Low CB, Chew YS, Vuddagiri S, Sangthongpitag K, Choong ML, Lee MA, Kannan S, Verma CS, Poulsen A, Lim S, Chuah C, Ong TS, Hill J, Matter A, Nacro K.: Optimization of Selective Mitogen-Activated Protein Kinase Interacting Kinases 1 and 2 Inhibitors for the Treatment of Blast Crisis Leukemia. J Med Chem, Volume 61 (10), 2018";ChEMBL
MM474665;MM474665;CCc1ccc(-c2cc(NCC3C4CCC3CN(C)C4)c3cc(OC)c(OCCCN4CCCC4)cc3n2)o1;JWHZKAWJXRZCOW-UHFFFAOYSA-N;532.73;5.93;145967174;;;CHEMBL4211688;GENER;EPAM;25;0;"<a href=https://www.ebi.ac.uk/chembl/assay_report_card/CHEMBL4195577/  target=_blank>CHEMBL4195577</a>";;;;;;;;;-5.44;;;;;;;;;;;;"Rabal O, Sánchez-Arias JA, San José-Enériz E, Agirre X, de Miguel I, Garate L, Miranda E, Sáez E, Roa S, Martínez-Climent JA, Liu Y, Wu W, Xu M, Prosper F, Oyarzabal J.: Detailed Exploration around 4-Aminoquinolines Chemical Space to Navigate the Lysine Methyltransferase G9a and DNA Methyltransferase Biological Spaces. J Med Chem, Volume 61 (15), 2018";ChEMBL
MM472827;MM472827;Cc1nc(N)c2cnn(C3CCN(Cc4ccc(S(=O)(=O)F)cc4)CC3)c2n1;OLUFQLZXUKQCST-UHFFFAOYSA-N;404.47;2.21;145964588;;;CHEMBL4211713;GENER;EPAM;25;0;"<a href=https://www.ebi.ac.uk/chembl/assay_report_card/CHEMBL4182564/  target=_blank>CHEMBL4182564</a>";;;;;;;;;-5.15;;;;;;;;;;;;"Jiao GS, Kim S, Moayeri M, Thai A, Cregar-Hernandez L, McKasson L, O'Malley S, Leppla SH, Johnson AT.: Small molecule inhibitors of anthrax edema factor. Bioorg Med Chem Lett, Volume 28 (2), 2018";ChEMBL
MM473514;MM473514;CN1CCN(C(=O)c2ccc(-c3cn4c(-c5ccc(Cl)cc5)cnc4cn3)cc2)CC1;KKUMLZFCIPKXAO-UHFFFAOYSA-N;431.93;4.1;117737365;;;CHEMBL4211757;GENER;EPAM;25;0;"<a href=https://www.ebi.ac.uk/chembl/assay_report_card/CHEMBL4189500/  target=_blank>CHEMBL4189500</a>";;;;;;;;;-4.15;;;;;;;;;;;;"Yang H, Chennamaneni LR, Ho MWT, Ang SH, Tan ESW, Jeyaraj DA, Yeap YS, Liu B, Ong EH, Joy JK, Wee JLK, Kwek P, Retna P, Dinie N, Nguyen TTH, Tai SJ, Manoharan V, Pendharkar V, Low CB, Chew YS, Vuddagiri S, Sangthongpitag K, Choong ML, Lee MA, Kannan S, Verma CS, Poulsen A, Lim S, Chuah C, Ong TS, Hill J, Matter A, Nacro K.: Optimization of Selective Mitogen-Activated Protein Kinase Interacting Kinases 1 and 2 Inhibitors for the Treatment of Blast Crisis Leukemia. J Med Chem, Volume 61 (10), 2018";ChEMBL
MM472836;MM472836;COc1cccc(-c2nc(C)c(COc3ccc(CCC(=O)O)cc3)o2)c1;VALUMKQQQXLNRL-UHFFFAOYSA-N;367.4;4.25;145965984;;;CHEMBL4211920;GENER;EPAM;25;0;"<a href=https://www.ebi.ac.uk/chembl/assay_report_card/CHEMBL4184929/  target=_blank>CHEMBL4184929</a>";;;;;;;;;-3.92;;;;;;;;;;;;"Teske KA, Bogart JW, Arnold LA.: Novel VDR antagonists based on the GW0742 scaffold. Bioorg Med Chem Lett, Volume 28 (3), 2018";ChEMBL
MM474651;MM474651;COc1ccc2c(c1)CCCC2CNc1cnccc1C(=O)O;NXQKMWGCRMQRSS-ZDUSSCGKSA-N;312.37;3.32;90253505;;;CHEMBL4211946;GENER;EPAM;25;0;"<a href=https://www.ebi.ac.uk/chembl/assay_report_card/CHEMBL4193849/  target=_blank>CHEMBL4193849</a>";;;;;;;;;-5.73;;;;;;;;;;;;"Chen YK, Bonaldi T, Cuomo A, Del Rosario JR, Hosfield DJ, Kanouni T, Kao SC, Lai C, Lobo NA, Matuszkiewicz J, McGeehan A, O'Connell SM, Shi L, Stafford JA, Stansfield RK, Veal JM, Weiss MS, Yuen NY, Wallace MB.: Design of KDM4 Inhibitors with Antiproliferative Effects in Cancer Models. ACS Med Chem Lett, Volume 8 (8), 2017";ChEMBL
MM472848;MM472848;COC(=O)c1ccc(OCc2oc(-c3cccc(OC)c3)nc2C)cc1;SYFIGKNOBXITNY-UHFFFAOYSA-N;353.37;4.02;145964597;;;CHEMBL4211975;GENER;EPAM;25;0;"<a href=https://www.ebi.ac.uk/chembl/assay_report_card/CHEMBL4184929/  target=_blank>CHEMBL4184929</a>";;;;;;;;;-3.43;;;;;;;;;;;;"Teske KA, Bogart JW, Arnold LA.: Novel VDR antagonists based on the GW0742 scaffold. Bioorg Med Chem Lett, Volume 28 (3), 2018";ChEMBL
MM473543;MM473543;Cn1cc2c3c(c[nH]c3c1=O)CN(CC1CC1)c1ccc(CS(C)(=O)=O)cc1-2;AGRVPCMMHQFJTH-UHFFFAOYSA-N;397.5;2.81;118863314;;;CHEMBL4212062;GENER;EPAM;25;0;"<a href=https://www.ebi.ac.uk/chembl/assay_report_card/CHEMBL4194889/  target=_blank>CHEMBL4194889</a>";;;;;;;;;-5.37;;;;;;;;;;;;"Fidanze SD, Liu D, Mantei RA, Hasvold LA, Pratt JK, Sheppard GS, Wang L, Holms JH, Dai Y, Aguirre A, Bogdan A, Dietrich JD, Marjanovic J, Park CH, Hutchins CW, Lin X, Bui MH, Huang X, Wilcox D, Li L, Wang R, Kovar P, Magoc TJ, Rajaraman G, Albert DH, Shen Y, Kati WM, McDaniel KF.: Discovery and optimization of novel constrained pyrrolopyridone BET family inhibitors. Bioorg Med Chem Lett, Volume 28 (10), 2018";ChEMBL
MM473513;MM473513;CN1CCN(C(=O)c2ccc(-c3cn4c(-c5ccc(C(F)(F)F)cc5)cnc4cn3)cc2)CC1;PFHIDQUYVRCLAG-UHFFFAOYSA-N;465.48;4.47;117737362;;;CHEMBL4212200;GENER;EPAM;25;0;"<a href=https://www.ebi.ac.uk/chembl/assay_report_card/CHEMBL4189500/  target=_blank>CHEMBL4189500</a>";;;;;;;;;-4.06;;;;;;;;;;;;"Yang H, Chennamaneni LR, Ho MWT, Ang SH, Tan ESW, Jeyaraj DA, Yeap YS, Liu B, Ong EH, Joy JK, Wee JLK, Kwek P, Retna P, Dinie N, Nguyen TTH, Tai SJ, Manoharan V, Pendharkar V, Low CB, Chew YS, Vuddagiri S, Sangthongpitag K, Choong ML, Lee MA, Kannan S, Verma CS, Poulsen A, Lim S, Chuah C, Ong TS, Hill J, Matter A, Nacro K.: Optimization of Selective Mitogen-Activated Protein Kinase Interacting Kinases 1 and 2 Inhibitors for the Treatment of Blast Crisis Leukemia. J Med Chem, Volume 61 (10), 2018";ChEMBL
MM474663;MM474663;COc1cc2c(NC3CCC34CCN(C)C4)cc(-c3ccc(C)o3)nc2cc1OCCCN1CCCC1;MJGRJTGEKSYWOA-UHFFFAOYSA-N;504.68;5.57;118613651;;;CHEMBL4212218;GENER;EPAM;25;0;"<a href=https://www.ebi.ac.uk/chembl/assay_report_card/CHEMBL4195577/  target=_blank>CHEMBL4195577</a>";;;;;;;;;-6.12;;;;;;;;;;;;"Rabal O, Sánchez-Arias JA, San José-Enériz E, Agirre X, de Miguel I, Garate L, Miranda E, Sáez E, Roa S, Martínez-Climent JA, Liu Y, Wu W, Xu M, Prosper F, Oyarzabal J.: Detailed Exploration around 4-Aminoquinolines Chemical Space to Navigate the Lysine Methyltransferase G9a and DNA Methyltransferase Biological Spaces. J Med Chem, Volume 61 (15), 2018";ChEMBL
MM473496;MM473496;CS(=O)(=O)N1CCN(Cc2cc3c(N4CCOCC4)nc(-c4cnc(N)nc4)cn3n2)CC1;XEBRAMSBPJUGET-UHFFFAOYSA-N;473.56;-0.32;67294297;;;CHEMBL4212439;GENER;EPAM;25;0;"<a href=https://www.ebi.ac.uk/chembl/assay_report_card/CHEMBL4179671/  target=_blank>CHEMBL4179671</a>";;;;;;;;;-6.03;;;;;;;;;;;;"Martínez González S, Hernández AI, Álvarez RM, Rodríguez A, Ramos-Lima F, Bischoff JR, Albarrán MI, Cebriá A, Hernández-Encinas E, García-Arocha J, Cebrián D, Blanco-Aparicio C, Pastor J.: Identification of novel PI3K inhibitors through a scaffold hopping strategy. Bioorg Med Chem Lett, Volume 27 (21), 2017";ChEMBL
MM473519;MM473519;NC(=O)c1ccc(-c2cn3c(-c4ccc(O)cc4)cnc3cn2)cc1;LKFLRBIQIXBCCO-UHFFFAOYSA-N;330.35;2.87;145966011;;;CHEMBL4212480;GENER;EPAM;25;0;"<a href=https://www.ebi.ac.uk/chembl/assay_report_card/CHEMBL4189500/  target=_blank>CHEMBL4189500</a>";;;;;;;;;-4.64;;;;;;;;;;;;"Yang H, Chennamaneni LR, Ho MWT, Ang SH, Tan ESW, Jeyaraj DA, Yeap YS, Liu B, Ong EH, Joy JK, Wee JLK, Kwek P, Retna P, Dinie N, Nguyen TTH, Tai SJ, Manoharan V, Pendharkar V, Low CB, Chew YS, Vuddagiri S, Sangthongpitag K, Choong ML, Lee MA, Kannan S, Verma CS, Poulsen A, Lim S, Chuah C, Ong TS, Hill J, Matter A, Nacro K.: Optimization of Selective Mitogen-Activated Protein Kinase Interacting Kinases 1 and 2 Inhibitors for the Treatment of Blast Crisis Leukemia. J Med Chem, Volume 61 (10), 2018";ChEMBL
MM473546;MM473546;Cn1cc2c3c(c[nH]c3c1=O)CN(c1ccc(F)cc1)c1ccc(CS(C)(=O)=O)cc1-2;XGXZJWFQBZMXON-UHFFFAOYSA-N;437.5;3.87;;;;;GENER;EPAM;25;0;"<a href=https://www.ebi.ac.uk/chembl/assay_report_card/CHEMBL4194889/  target=_blank>CHEMBL4194889</a>";;;;;;;;;-5.18;;;;;;;;;;;;"Fidanze SD, Liu D, Mantei RA, Hasvold LA, Pratt JK, Sheppard GS, Wang L, Holms JH, Dai Y, Aguirre A, Bogdan A, Dietrich JD, Marjanovic J, Park CH, Hutchins CW, Lin X, Bui MH, Huang X, Wilcox D, Li L, Wang R, Kovar P, Magoc TJ, Rajaraman G, Albert DH, Shen Y, Kati WM, McDaniel KF.: Discovery and optimization of novel constrained pyrrolopyridone BET family inhibitors. Bioorg Med Chem Lett, Volume 28 (10), 2018";ChEMBL
MM472849;MM472849;COC(=O)c1cccc(OCc2oc(-c3cccc(OC)c3)nc2C)c1;GIRBBNOMYMMYEM-UHFFFAOYSA-N;353.37;4.02;145963928;;;CHEMBL4212524;GENER;EPAM;25;0;"<a href=https://www.ebi.ac.uk/chembl/assay_report_card/CHEMBL4184929/  target=_blank>CHEMBL4184929</a>";;;;;;;;;-3.37;;;;;;;;;;;;"Teske KA, Bogart JW, Arnold LA.: Novel VDR antagonists based on the GW0742 scaffold. Bioorg Med Chem Lett, Volume 28 (3), 2018";ChEMBL
MM474656;MM474656;CCc1ccc(-c2cc(NCC3CCN(C)CC3)c3cc(OC)c(OCCCN4CCCC4)cc3n2)o1;PQJVPCANHLGIOZ-UHFFFAOYSA-N;506.69;5.68;129085358;;;CHEMBL4212905;GENER;EPAM;25;0;"<a href=https://www.ebi.ac.uk/chembl/assay_report_card/CHEMBL4195577/  target=_blank>CHEMBL4195577</a>";;;;;;;;;-5.79;;;;;;;;;;;;"Rabal O, Sánchez-Arias JA, San José-Enériz E, Agirre X, de Miguel I, Garate L, Miranda E, Sáez E, Roa S, Martínez-Climent JA, Liu Y, Wu W, Xu M, Prosper F, Oyarzabal J.: Detailed Exploration around 4-Aminoquinolines Chemical Space to Navigate the Lysine Methyltransferase G9a and DNA Methyltransferase Biological Spaces. J Med Chem, Volume 61 (15), 2018";ChEMBL
MM473499;MM473499;CS(=O)(=O)N1CCN(Cc2cc3c(N4CCOCC4)nc(-c4cnc(N)nc4)c(Cl)n3n2)CC1;NOCRVEDBMWCMTR-UHFFFAOYSA-N;508.01;0.34;87343636;;;CHEMBL4212973;GENER;EPAM;25;0;"<a href=https://www.ebi.ac.uk/chembl/assay_report_card/CHEMBL4179671/  target=_blank>CHEMBL4179671</a>";;;;;;;;;-6.16;;;;;;;;;;;;"Martínez González S, Hernández AI, Álvarez RM, Rodríguez A, Ramos-Lima F, Bischoff JR, Albarrán MI, Cebriá A, Hernández-Encinas E, García-Arocha J, Cebrián D, Blanco-Aparicio C, Pastor J.: Identification of novel PI3K inhibitors through a scaffold hopping strategy. Bioorg Med Chem Lett, Volume 27 (21), 2017";ChEMBL
MM473525;MM473525;CN1CCN(C(=O)c2ccc(-c3ccc4ncc(-c5ccc(C#N)cc5)n4n3)cc2)CC1;PEHQJHHHTXOGJK-UHFFFAOYSA-N;422.49;3.32;89826982;;;CHEMBL4213168;GENER;EPAM;25;0;"<a href=https://www.ebi.ac.uk/chembl/assay_report_card/CHEMBL4189500/  target=_blank>CHEMBL4189500</a>";;;;;;;;;-4.6;;;;;;;;;;;;"Yang H, Chennamaneni LR, Ho MWT, Ang SH, Tan ESW, Jeyaraj DA, Yeap YS, Liu B, Ong EH, Joy JK, Wee JLK, Kwek P, Retna P, Dinie N, Nguyen TTH, Tai SJ, Manoharan V, Pendharkar V, Low CB, Chew YS, Vuddagiri S, Sangthongpitag K, Choong ML, Lee MA, Kannan S, Verma CS, Poulsen A, Lim S, Chuah C, Ong TS, Hill J, Matter A, Nacro K.: Optimization of Selective Mitogen-Activated Protein Kinase Interacting Kinases 1 and 2 Inhibitors for the Treatment of Blast Crisis Leukemia. J Med Chem, Volume 61 (10), 2018";ChEMBL
MM473550;MM473550;Cn1cc2c3c(c[nH]c(=O)c31)-c1cc(CS(C)(=O)=O)ccc1N(c1ccccn1)C2;AUJSICQRNVBQDS-UHFFFAOYSA-N;420.49;3.12;145966522;;;CHEMBL4213481;GENER;EPAM;25;0;"<a href=https://www.ebi.ac.uk/chembl/assay_report_card/CHEMBL4194889/  target=_blank>CHEMBL4194889</a>";;;;;;;;;-5.23;;;;;;;;;;;;"Fidanze SD, Liu D, Mantei RA, Hasvold LA, Pratt JK, Sheppard GS, Wang L, Holms JH, Dai Y, Aguirre A, Bogdan A, Dietrich JD, Marjanovic J, Park CH, Hutchins CW, Lin X, Bui MH, Huang X, Wilcox D, Li L, Wang R, Kovar P, Magoc TJ, Rajaraman G, Albert DH, Shen Y, Kati WM, McDaniel KF.: Discovery and optimization of novel constrained pyrrolopyridone BET family inhibitors. Bioorg Med Chem Lett, Volume 28 (10), 2018";ChEMBL
MM474648;MM474648;CC(=O)N1c2ccc(-c3cnc(C(N)=O)nc3)cc2N(Cc2ccccc2CO)CC1C1CC1;JVAKWUYUZCOCKR-XMMPIXPASA-N;457.53;2.89;137321203;;;CHEMBL4213809;GENER;EPAM;25;0;"<a href=https://www.ebi.ac.uk/chembl/assay_report_card/CHEMBL4189297/  target=_blank>CHEMBL4189297</a>";;;;;;;;;-4.87;;;;;;;;;;;;"Law RP, Atkinson SJ, Bamborough P, Chung CW, Demont EH, Gordon LJ, Lindon M, Prinjha RK, Watson AJB, Hirst DJ.: Discovery of Tetrahydroquinoxalines as Bromodomain and Extra-Terminal Domain (BET) Inhibitors with Selectivity for the Second Bromodomain. J Med Chem, Volume 61 (10), 2018";ChEMBL
MM473509;MM473509;N#Cc1ccc(-c2cnc3cnc(-c4ccc(C(=O)N5CCOCC5)cc4)cn23)cc1;DKRBCZRLAIEHLG-UHFFFAOYSA-N;409.45;3.41;71766212;;;CHEMBL4213819;GENER;EPAM;25;0;"<a href=https://www.ebi.ac.uk/chembl/assay_report_card/CHEMBL4189500/  target=_blank>CHEMBL4189500</a>";;;;;;;;;-4.37;;;;;;;;;;;;"Yang H, Chennamaneni LR, Ho MWT, Ang SH, Tan ESW, Jeyaraj DA, Yeap YS, Liu B, Ong EH, Joy JK, Wee JLK, Kwek P, Retna P, Dinie N, Nguyen TTH, Tai SJ, Manoharan V, Pendharkar V, Low CB, Chew YS, Vuddagiri S, Sangthongpitag K, Choong ML, Lee MA, Kannan S, Verma CS, Poulsen A, Lim S, Chuah C, Ong TS, Hill J, Matter A, Nacro K.: Optimization of Selective Mitogen-Activated Protein Kinase Interacting Kinases 1 and 2 Inhibitors for the Treatment of Blast Crisis Leukemia. J Med Chem, Volume 61 (10), 2018";ChEMBL
MM472851;MM472851;COC(=O)CCc1ccc(OCc2oc(-c3ccccc3OC)nc2C)cc1;DZHLDLVIMLRUBO-UHFFFAOYSA-N;381.43;4.34;145964669;;;CHEMBL4213939;GENER;EPAM;25;0;"<a href=https://www.ebi.ac.uk/chembl/assay_report_card/CHEMBL4184929/  target=_blank>CHEMBL4184929</a>";;;;;;;;;-3.34;;;;;;;;;;;;"Teske KA, Bogart JW, Arnold LA.: Novel VDR antagonists based on the GW0742 scaffold. Bioorg Med Chem Lett, Volume 28 (3), 2018";ChEMBL
MM474685;MM474685;Cc1onc(C(=O)O)c1-c1cccc(-c2cc(Cl)c(O)c(Cl)c2)c1;RHLHXHOGVCAPFR-UHFFFAOYSA-N;364.18;5.03;138393064;;;CHEMBL4214022;GENER;EPAM;25;0;"<a href=https://www.ebi.ac.uk/chembl/assay_report_card/CHEMBL4201138/  target=_blank>CHEMBL4201138</a>";;;;;;;;;-5.11;;;;;;;;;;;;"Vickers CF, Silva APG, Chakraborty A, Fernandez P, Kurepina N, Saville C, Naranjo Y, Pons M, Schnettger LS, Gutierrez MG, Park S, Kreiswith BN, Perlin DS, Thomas EJ, Cavet JS, Tabernero L.: Structure-Based Design of MptpB Inhibitors That Reduce Multidrug-Resistant Mycobacterium tuberculosis Survival and Infection Burden in Vivo. J Med Chem, Volume 61 (18), 2018";ChEMBL
MM472832;MM472832;Nc1cc(OCCNC(=O)c2ccc(S(=O)(=O)F)cc2)ccn1;NACBDQGNOSECCI-UHFFFAOYSA-N;339.35;1.13;145972971;;;CHEMBL4214316;GENER;EPAM;25;0;"<a href=https://www.ebi.ac.uk/chembl/assay_report_card/CHEMBL4182564/  target=_blank>CHEMBL4182564</a>";;;;;;;;;-8;;;;;;;;;;;;"Jiao GS, Kim S, Moayeri M, Thai A, Cregar-Hernandez L, McKasson L, O'Malley S, Leppla SH, Johnson AT.: Small molecule inhibitors of anthrax edema factor. Bioorg Med Chem Lett, Volume 28 (2), 2018";ChEMBL
MM472467;MM472467;CC(O)(CC=CC1COC(=O)N1CCSc1nc(C(=O)O)cs1)CC1CCCCC1;ZJPPBOPPXGYNJO-PCEFODJASA-N;454.61;4.42;66857975;;;CHEMBL4214346;GENER;EPAM;25;0;"ph = 6.2, <a href=https://www.ebi.ac.uk/chembl/assay_report_card/CHEMBL4186527/  target=_blank>CHEMBL4186527</a>";;;;;;;;;-5.02;;;;;;;;;;;;"Kinoshita A, Higashino M, Yoshida K, Aratani Y, Kakuuchi A, Hanada K, Takeda H, Naganawa A, Matsuya H, Ohmoto K.: Synthesis and evaluation of a potent, well-balanced EP2/EP3 dual agonist. Bioorg Med Chem, Volume 26 (1), 2018";ChEMBL
MM472844;MM472844;COc1ccccc1-c1nc(C)c(COc2cccc(C(=O)O)c2)o1;XSCVRDILABREMU-UHFFFAOYSA-N;339.35;3.94;145972041;;;CHEMBL4214540;GENER;EPAM;25;0;"<a href=https://www.ebi.ac.uk/chembl/assay_report_card/CHEMBL4184929/  target=_blank>CHEMBL4184929</a>";;;;;;;;;-3.58;;;;;;;;;;;;"Teske KA, Bogart JW, Arnold LA.: Novel VDR antagonists based on the GW0742 scaffold. Bioorg Med Chem Lett, Volume 28 (3), 2018";ChEMBL
MM472837;MM472837;COc1cccc(-c2nc(C)c(COc3ccc(CC(=O)O)cc3)o2)c1;BTEJSQVRGFHBMU-UHFFFAOYSA-N;353.37;3.86;145974139;;;CHEMBL4214964;GENER;EPAM;25;0;"<a href=https://www.ebi.ac.uk/chembl/assay_report_card/CHEMBL4184929/  target=_blank>CHEMBL4184929</a>";;;;;;;;;-3.88;;;;;;;;;;;;"Teske KA, Bogart JW, Arnold LA.: Novel VDR antagonists based on the GW0742 scaffold. Bioorg Med Chem Lett, Volume 28 (3), 2018";ChEMBL
MM474667;MM474667;Cc1ccc(-c2cc(NC3CCN(C)CC3)c3cc(Cl)c(OCCCN4CCCC4)cc3n2)o1;FKRRYTPCUFOKGU-UHFFFAOYSA-N;483.06;5.83;129085361;;;CHEMBL4215377;GENER;EPAM;25;0;"<a href=https://www.ebi.ac.uk/chembl/assay_report_card/CHEMBL4195577/  target=_blank>CHEMBL4195577</a>";;;;;;;;;-5.61;;;;;;;;;;;;"Rabal O, Sánchez-Arias JA, San José-Enériz E, Agirre X, de Miguel I, Garate L, Miranda E, Sáez E, Roa S, Martínez-Climent JA, Liu Y, Wu W, Xu M, Prosper F, Oyarzabal J.: Detailed Exploration around 4-Aminoquinolines Chemical Space to Navigate the Lysine Methyltransferase G9a and DNA Methyltransferase Biological Spaces. J Med Chem, Volume 61 (15), 2018";ChEMBL
MM472826;MM472826;Cc1nc(N)c2ncn(C3CCN(C(=O)c4ccc(S(=O)(=O)F)cc4)CC3)c2n1;XZQDVLFMAUJPRB-UHFFFAOYSA-N;418.45;1.85;;;;;GENER;EPAM;25;0;"<a href=https://www.ebi.ac.uk/chembl/assay_report_card/CHEMBL4182564/  target=_blank>CHEMBL4182564</a>";;;;;;;;;-5.59;;;;;;;;;;;;"Jiao GS, Kim S, Moayeri M, Thai A, Cregar-Hernandez L, McKasson L, O'Malley S, Leppla SH, Johnson AT.: Small molecule inhibitors of anthrax edema factor. Bioorg Med Chem Lett, Volume 28 (2), 2018";ChEMBL
MM473504;MM473504;Fc1cccc(-n2cnc3c(NCc4ncc[nH]4)nc(N4CCOCC4)nc32)c1;BAKZCLXZBMYRGA-UHFFFAOYSA-N;394.41;2.13;145973036;;;CHEMBL4215749;GENER;EPAM;25;0;"<a href=https://www.ebi.ac.uk/chembl/assay_report_card/CHEMBL4187220/  target=_blank>CHEMBL4187220</a>";;;;;;;;;-7;;;;;;;;;;;;"Monastyrskyi A, Nilchan N, Quereda V, Noguchi Y, Ruiz C, Grant W, Cameron M, Duckett D, Roush W.: Development of dual casein kinase 1δ/1ε (CK1δ/ε) inhibitors for treatment of breast cancer. Bioorg Med Chem, Volume 26 (3), 2018";ChEMBL
MM473549;MM473549;Cn1cc2c3c(c[nH]c(=O)c31)-c1cc(CS(C)(=O)=O)ccc1N(c1ccc(F)cc1)C2;QGTJNNMFLDHNQH-UHFFFAOYSA-N;437.5;3.87;145972103;;;CHEMBL4215988;GENER;EPAM;25;0;"<a href=https://www.ebi.ac.uk/chembl/assay_report_card/CHEMBL4194889/  target=_blank>CHEMBL4194889</a>";;;;;;;;;-5.29;;;;;;;;;;;;"Fidanze SD, Liu D, Mantei RA, Hasvold LA, Pratt JK, Sheppard GS, Wang L, Holms JH, Dai Y, Aguirre A, Bogdan A, Dietrich JD, Marjanovic J, Park CH, Hutchins CW, Lin X, Bui MH, Huang X, Wilcox D, Li L, Wang R, Kovar P, Magoc TJ, Rajaraman G, Albert DH, Shen Y, Kati WM, McDaniel KF.: Discovery and optimization of novel constrained pyrrolopyridone BET family inhibitors. Bioorg Med Chem Lett, Volume 28 (10), 2018";ChEMBL
MM474650;MM474650;CN(c1ccccc1)c1ccc2c(c1)CCCC2CNc1cnccc1C(=O)O;XSMABFRQESMONQ-SFHVURJKSA-N;387.48;5.08;118598059;;;CHEMBL4216044;GENER;EPAM;25;0;"<a href=https://www.ebi.ac.uk/chembl/assay_report_card/CHEMBL4193849/  target=_blank>CHEMBL4193849</a>";;;;;;;;;-5.29;;;;;;;;;;;;"Chen YK, Bonaldi T, Cuomo A, Del Rosario JR, Hosfield DJ, Kanouni T, Kao SC, Lai C, Lobo NA, Matuszkiewicz J, McGeehan A, O'Connell SM, Shi L, Stafford JA, Stansfield RK, Veal JM, Weiss MS, Yuen NY, Wallace MB.: Design of KDM4 Inhibitors with Antiproliferative Effects in Cancer Models. ACS Med Chem Lett, Volume 8 (8), 2017";ChEMBL
MM473517;MM473517;CN1CCN(C(=O)c2ccc(-c3cn4c(-c5cccc(O)c5)cnc4cn3)cc2)CC1;NTKMBZXHYFBSOK-UHFFFAOYSA-N;413.48;3.16;145972578;;;CHEMBL4216093;GENER;EPAM;25;0;"<a href=https://www.ebi.ac.uk/chembl/assay_report_card/CHEMBL4189500/  target=_blank>CHEMBL4189500</a>";;;;;;;;;-4.48;;;;;;;;;;;;"Yang H, Chennamaneni LR, Ho MWT, Ang SH, Tan ESW, Jeyaraj DA, Yeap YS, Liu B, Ong EH, Joy JK, Wee JLK, Kwek P, Retna P, Dinie N, Nguyen TTH, Tai SJ, Manoharan V, Pendharkar V, Low CB, Chew YS, Vuddagiri S, Sangthongpitag K, Choong ML, Lee MA, Kannan S, Verma CS, Poulsen A, Lim S, Chuah C, Ong TS, Hill J, Matter A, Nacro K.: Optimization of Selective Mitogen-Activated Protein Kinase Interacting Kinases 1 and 2 Inhibitors for the Treatment of Blast Crisis Leukemia. J Med Chem, Volume 61 (10), 2018";ChEMBL
MM473522;MM473522;CN(C)C1CCN(C(=O)c2ccc(-c3ccc4ncc(-c5ccc(C#N)cc5)n4n3)cc2)CC1;KTBKRHUBYKAUFQ-UHFFFAOYSA-N;450.55;4.1;71766208;;;CHEMBL4216109;GENER;EPAM;25;0;"<a href=https://www.ebi.ac.uk/chembl/assay_report_card/CHEMBL4189500/  target=_blank>CHEMBL4189500</a>";;;;;;;;;-4.12;;;;;;;;;;;;"Yang H, Chennamaneni LR, Ho MWT, Ang SH, Tan ESW, Jeyaraj DA, Yeap YS, Liu B, Ong EH, Joy JK, Wee JLK, Kwek P, Retna P, Dinie N, Nguyen TTH, Tai SJ, Manoharan V, Pendharkar V, Low CB, Chew YS, Vuddagiri S, Sangthongpitag K, Choong ML, Lee MA, Kannan S, Verma CS, Poulsen A, Lim S, Chuah C, Ong TS, Hill J, Matter A, Nacro K.: Optimization of Selective Mitogen-Activated Protein Kinase Interacting Kinases 1 and 2 Inhibitors for the Treatment of Blast Crisis Leukemia. J Med Chem, Volume 61 (10), 2018";ChEMBL
MM474660;MM474660;COc1cc2c(NC3CC4(CCN(C)C4)C3)cc(-c3ccc(C)o3)nc2cc1OCCCN1CCCC1;RDPYODVIYQQQFZ-UHFFFAOYSA-N;504.68;5.57;118613647;;;CHEMBL4216144;GENER;EPAM;25;0;"<a href=https://www.ebi.ac.uk/chembl/assay_report_card/CHEMBL4195577/  target=_blank>CHEMBL4195577</a>";;;;;;;;;-6.48;;;;;;;;;;;;"Rabal O, Sánchez-Arias JA, San José-Enériz E, Agirre X, de Miguel I, Garate L, Miranda E, Sáez E, Roa S, Martínez-Climent JA, Liu Y, Wu W, Xu M, Prosper F, Oyarzabal J.: Detailed Exploration around 4-Aminoquinolines Chemical Space to Navigate the Lysine Methyltransferase G9a and DNA Methyltransferase Biological Spaces. J Med Chem, Volume 61 (15), 2018";ChEMBL
MM474653;MM474653;O=C(O)c1ccncc1NCC1CCCc2cc(Sc3ccccc3)ccc21;DZVIPXUKOHSZJK-KRWDZBQOSA-N;390.51;5.46;145974200;;;CHEMBL4216399;GENER;EPAM;25;0;"<a href=https://www.ebi.ac.uk/chembl/assay_report_card/CHEMBL4193849/  target=_blank>CHEMBL4193849</a>";;;;;;;;;-5.29;;;;;;;;;;;;"Chen YK, Bonaldi T, Cuomo A, Del Rosario JR, Hosfield DJ, Kanouni T, Kao SC, Lai C, Lobo NA, Matuszkiewicz J, McGeehan A, O'Connell SM, Shi L, Stafford JA, Stansfield RK, Veal JM, Weiss MS, Yuen NY, Wallace MB.: Design of KDM4 Inhibitors with Antiproliferative Effects in Cancer Models. ACS Med Chem Lett, Volume 8 (8), 2017";ChEMBL
MM472855;MM472855;COC(=O)c1ccccc1OCc1oc(-c2ccccc2OC)nc1C;PJVJIKFRSSTPHA-UHFFFAOYSA-N;353.37;4.02;145973067;;;CHEMBL4216710;GENER;EPAM;25;0;"<a href=https://www.ebi.ac.uk/chembl/assay_report_card/CHEMBL4184929/  target=_blank>CHEMBL4184929</a>";;;;;;;;;-3.33;;;;;;;;;;;;"Teske KA, Bogart JW, Arnold LA.: Novel VDR antagonists based on the GW0742 scaffold. Bioorg Med Chem Lett, Volume 28 (3), 2018";ChEMBL
MM473515;MM473515;CN1CCN(C(=O)c2ccc(-c3cn4c(-c5ccc(C#N)cc5)cnc4cn3)cc2)CC1;LXZQZRCDEXIVBU-UHFFFAOYSA-N;422.49;3.32;89827041;;;CHEMBL4216991;GENER;EPAM;25;0;"<a href=https://www.ebi.ac.uk/chembl/assay_report_card/CHEMBL4189500/  target=_blank>CHEMBL4189500</a>";;;;;;;;;-3.99;;;;;;;;;;;;"Yang H, Chennamaneni LR, Ho MWT, Ang SH, Tan ESW, Jeyaraj DA, Yeap YS, Liu B, Ong EH, Joy JK, Wee JLK, Kwek P, Retna P, Dinie N, Nguyen TTH, Tai SJ, Manoharan V, Pendharkar V, Low CB, Chew YS, Vuddagiri S, Sangthongpitag K, Choong ML, Lee MA, Kannan S, Verma CS, Poulsen A, Lim S, Chuah C, Ong TS, Hill J, Matter A, Nacro K.: Optimization of Selective Mitogen-Activated Protein Kinase Interacting Kinases 1 and 2 Inhibitors for the Treatment of Blast Crisis Leukemia. J Med Chem, Volume 61 (10), 2018";ChEMBL
MM472821;MM472821;Nc1ncnc2c1ncn2CCCNC(=O)c1ccc(S(=O)(=O)F)cc1;JZXYQYYFJXLMJZ-UHFFFAOYSA-N;378.39;0.89;145972851;;;CHEMBL4217046;GENER;EPAM;25;0;"<a href=https://www.ebi.ac.uk/chembl/assay_report_card/CHEMBL4182564/  target=_blank>CHEMBL4182564</a>";;;;;;;;;-5.18;;;;;;;;;;;;"Jiao GS, Kim S, Moayeri M, Thai A, Cregar-Hernandez L, McKasson L, O'Malley S, Leppla SH, Johnson AT.: Small molecule inhibitors of anthrax edema factor. Bioorg Med Chem Lett, Volume 28 (2), 2018";ChEMBL
MM473505;MM473505;Fc1cccc(-n2cnc3c(NCc4ccccn4)nc(N4CCOCC4)nc32)c1;BKTDJFYZVSLYHT-UHFFFAOYSA-N;405.44;2.8;57411943;;;CHEMBL4217233;GENER;EPAM;25;0;"<a href=https://www.ebi.ac.uk/chembl/assay_report_card/CHEMBL4187220/  target=_blank>CHEMBL4187220</a>";;;;;;;;;-5.17;;;;;;;;;;;;"Monastyrskyi A, Nilchan N, Quereda V, Noguchi Y, Ruiz C, Grant W, Cameron M, Duckett D, Roush W.: Development of dual casein kinase 1δ/1ε (CK1δ/ε) inhibitors for treatment of breast cancer. Bioorg Med Chem, Volume 26 (3), 2018";ChEMBL
MM474654;MM474654;COc1cc2c(NC3CCN(C)C(=O)C3)cc(-c3ccc(C)o3)nc2cc1OCCCN1CCCC1;FDUSNRNFGPEONK-UHFFFAOYSA-N;492.62;4.71;118613626;;;CHEMBL4217332;GENER;EPAM;25;0;"<a href=https://www.ebi.ac.uk/chembl/assay_report_card/CHEMBL4195577/  target=_blank>CHEMBL4195577</a>";;;;;;;;;-6.47;;;;;;;;;;;;"Rabal O, Sánchez-Arias JA, San José-Enériz E, Agirre X, de Miguel I, Garate L, Miranda E, Sáez E, Roa S, Martínez-Climent JA, Liu Y, Wu W, Xu M, Prosper F, Oyarzabal J.: Detailed Exploration around 4-Aminoquinolines Chemical Space to Navigate the Lysine Methyltransferase G9a and DNA Methyltransferase Biological Spaces. J Med Chem, Volume 61 (15), 2018";ChEMBL
MM473516;MM473516;CN1CCN(C(=O)c2ccc(-c3cn4c(-c5ccc(C(=O)O)cc5)cnc4cn3)cc2)CC1;PZNMULIOTSQSJK-UHFFFAOYSA-N;441.49;3.15;145972396;;;CHEMBL4217366;GENER;EPAM;25;0;"<a href=https://www.ebi.ac.uk/chembl/assay_report_card/CHEMBL4189500/  target=_blank>CHEMBL4189500</a>";;;;;;;;;-7;;;;;;;;;;;;"Yang H, Chennamaneni LR, Ho MWT, Ang SH, Tan ESW, Jeyaraj DA, Yeap YS, Liu B, Ong EH, Joy JK, Wee JLK, Kwek P, Retna P, Dinie N, Nguyen TTH, Tai SJ, Manoharan V, Pendharkar V, Low CB, Chew YS, Vuddagiri S, Sangthongpitag K, Choong ML, Lee MA, Kannan S, Verma CS, Poulsen A, Lim S, Chuah C, Ong TS, Hill J, Matter A, Nacro K.: Optimization of Selective Mitogen-Activated Protein Kinase Interacting Kinases 1 and 2 Inhibitors for the Treatment of Blast Crisis Leukemia. J Med Chem, Volume 61 (10), 2018";ChEMBL
MM472829;MM472829;Nc1ncnc2c1cnn2C1CCN(C(=O)c2ccc(S(=O)(=O)F)cc2)CC1;AKZZVXRTBVBUTI-UHFFFAOYSA-N;404.43;1.54;145973096;;;CHEMBL4217380;GENER;EPAM;25;0;"<a href=https://www.ebi.ac.uk/chembl/assay_report_card/CHEMBL4182564/  target=_blank>CHEMBL4182564</a>";;;;;;;;;-6.1;;;;;;;;;;;;"Jiao GS, Kim S, Moayeri M, Thai A, Cregar-Hernandez L, McKasson L, O'Malley S, Leppla SH, Johnson AT.: Small molecule inhibitors of anthrax edema factor. Bioorg Med Chem Lett, Volume 28 (2), 2018";ChEMBL
MM473497;MM473497;CS(=O)(=O)N1CCN(Cc2nc3c(N4CCOCC4)nc(-c4cnc(N)nc4)cn3n2)CC1;LFNUJWZBIXHQJT-UHFFFAOYSA-N;474.55;-0.92;53353847;;;CHEMBL4217392;GENER;EPAM;25;0;"<a href=https://www.ebi.ac.uk/chembl/assay_report_card/CHEMBL4179671/  target=_blank>CHEMBL4179671</a>";;;;;;;;;-5.72;;;;;;;;;;;;"Martínez González S, Hernández AI, Álvarez RM, Rodríguez A, Ramos-Lima F, Bischoff JR, Albarrán MI, Cebriá A, Hernández-Encinas E, García-Arocha J, Cebrián D, Blanco-Aparicio C, Pastor J.: Identification of novel PI3K inhibitors through a scaffold hopping strategy. Bioorg Med Chem Lett, Volume 27 (21), 2017";ChEMBL
MM473547;MM473547;Cn1cc2c3c(c[nH]c3c1=O)CN(c1ccc(F)cc1F)c1ccc(CS(C)(=O)=O)cc1-2;UNODBAFOZVBZBF-UHFFFAOYSA-N;455.49;4.01;86270928;;;CHEMBL4217457;GENER;EPAM;25;0;"<a href=https://www.ebi.ac.uk/chembl/assay_report_card/CHEMBL4194889/  target=_blank>CHEMBL4194889</a>";;;;;;;;;-4.89;;;;;;;;;;;;"Fidanze SD, Liu D, Mantei RA, Hasvold LA, Pratt JK, Sheppard GS, Wang L, Holms JH, Dai Y, Aguirre A, Bogdan A, Dietrich JD, Marjanovic J, Park CH, Hutchins CW, Lin X, Bui MH, Huang X, Wilcox D, Li L, Wang R, Kovar P, Magoc TJ, Rajaraman G, Albert DH, Shen Y, Kati WM, McDaniel KF.: Discovery and optimization of novel constrained pyrrolopyridone BET family inhibitors. Bioorg Med Chem Lett, Volume 28 (10), 2018";ChEMBL
MM472839;MM472839;COc1cccc(-c2nc(C)c(COc3cccc(C(=O)O)c3)o2)c1;KBDJKXRBZJTLTC-UHFFFAOYSA-N;339.35;3.94;145974732;;;CHEMBL4217487;GENER;EPAM;25;0;"<a href=https://www.ebi.ac.uk/chembl/assay_report_card/CHEMBL4184929/  target=_blank>CHEMBL4184929</a>";;;;;;;;;-3.88;;;;;;;;;;;;"Teske KA, Bogart JW, Arnold LA.: Novel VDR antagonists based on the GW0742 scaffold. Bioorg Med Chem Lett, Volume 28 (3), 2018";ChEMBL
MM472828;MM472828;Cc1nc(N)c2cnn(C3CCN(C(=O)c4ccc(S(=O)(=O)F)cc4)CC3)c2n1;LOCKTYLDSLKJBO-UHFFFAOYSA-N;418.45;1.85;145968929;;;CHEMBL4218072;GENER;EPAM;25;0;"<a href=https://www.ebi.ac.uk/chembl/assay_report_card/CHEMBL4182564/  target=_blank>CHEMBL4182564</a>";;;;;;;;;-5.79;;;;;;;;;;;;"Jiao GS, Kim S, Moayeri M, Thai A, Cregar-Hernandez L, McKasson L, O'Malley S, Leppla SH, Johnson AT.: Small molecule inhibitors of anthrax edema factor. Bioorg Med Chem Lett, Volume 28 (2), 2018";ChEMBL
MM472831;MM472831;Nc1ncnc2c1ccn2C1CCN(C(=O)c2ccc(S(=O)(=O)F)cc2)CC1;STSQSRRMLHZFPL-UHFFFAOYSA-N;403.44;2.15;145968930;;;CHEMBL4218073;GENER;EPAM;25;0;"<a href=https://www.ebi.ac.uk/chembl/assay_report_card/CHEMBL4182564/  target=_blank>CHEMBL4182564</a>";;;;;;;;;-5.26;;;;;;;;;;;;"Jiao GS, Kim S, Moayeri M, Thai A, Cregar-Hernandez L, McKasson L, O'Malley S, Leppla SH, Johnson AT.: Small molecule inhibitors of anthrax edema factor. Bioorg Med Chem Lett, Volume 28 (2), 2018";ChEMBL
MM472857;MM472857;OC1(CCc2ccccc2)CSC1;;194.3;2.1;83685594;;;CHEMBL4218181;GENER;EPAM;25;0;"<a href=https://www.ebi.ac.uk/chembl/assay_report_card/CHEMBL4193832/  target=_blank>CHEMBL4193832</a>";;;;;;;;;-4.88;;;;;;;;;;;;"Lassalas P, Oukoloff K, Makani V, James M, Tran V, Yao Y, Huang L, Vijayendran K, Monti L, Trojanowski JQ, Lee VM, Kozlowski MC, Smith AB, Brunden KR, Ballatore C.: Evaluation of Oxetan-3-ol, Thietan-3-ol, and Derivatives Thereof as Bioisosteres of the Carboxylic Acid Functional Group. ACS Med Chem Lett, Volume 8 (8), 2017";ChEMBL
MM472857;MM472857;OC1(CCc2ccccc2)CSC1;;194.3;2.1;83685594;;;CHEMBL4218181;GENER;EPAM;25;0;"<a href=https://www.ebi.ac.uk/chembl/assay_report_card/CHEMBL4193834/  target=_blank>CHEMBL4193834</a>";;;;;;;;;-4.88;;;;;;;;;;;;"Lassalas P, Oukoloff K, Makani V, James M, Tran V, Yao Y, Huang L, Vijayendran K, Monti L, Trojanowski JQ, Lee VM, Kozlowski MC, Smith AB, Brunden KR, Ballatore C.: Evaluation of Oxetan-3-ol, Thietan-3-ol, and Derivatives Thereof as Bioisosteres of the Carboxylic Acid Functional Group. ACS Med Chem Lett, Volume 8 (8), 2017";ChEMBL
MM472846;MM472846;COC(=O)CCc1ccc(OCc2oc(-c3cccc(OC)c3)nc2C)cc1;JYYKAPLKPNEVIM-UHFFFAOYSA-N;381.43;4.34;145970080;;;CHEMBL4218638;GENER;EPAM;25;0;"<a href=https://www.ebi.ac.uk/chembl/assay_report_card/CHEMBL4184929/  target=_blank>CHEMBL4184929</a>";;;;;;;;;-3.34;;;;;;;;;;;;"Teske KA, Bogart JW, Arnold LA.: Novel VDR antagonists based on the GW0742 scaffold. Bioorg Med Chem Lett, Volume 28 (3), 2018";ChEMBL
MM472856;MM472856;OC1(CCc2ccccc2)COC1;;178.23;1.38;83683318;;;CHEMBL4218714;GENER;EPAM;25;0;"<a href=https://www.ebi.ac.uk/chembl/assay_report_card/CHEMBL4193832/  target=_blank>CHEMBL4193832</a>";;;;;;;;;-5.08;;;;;;;;;;;;"Lassalas P, Oukoloff K, Makani V, James M, Tran V, Yao Y, Huang L, Vijayendran K, Monti L, Trojanowski JQ, Lee VM, Kozlowski MC, Smith AB, Brunden KR, Ballatore C.: Evaluation of Oxetan-3-ol, Thietan-3-ol, and Derivatives Thereof as Bioisosteres of the Carboxylic Acid Functional Group. ACS Med Chem Lett, Volume 8 (8), 2017";ChEMBL
MM472856;MM472856;OC1(CCc2ccccc2)COC1;;178.23;1.38;83683318;;;CHEMBL4218714;GENER;EPAM;25;0;"<a href=https://www.ebi.ac.uk/chembl/assay_report_card/CHEMBL4193834/  target=_blank>CHEMBL4193834</a>";;;;;;;;;-5.08;;;;;;;;;;;;"Lassalas P, Oukoloff K, Makani V, James M, Tran V, Yao Y, Huang L, Vijayendran K, Monti L, Trojanowski JQ, Lee VM, Kozlowski MC, Smith AB, Brunden KR, Ballatore C.: Evaluation of Oxetan-3-ol, Thietan-3-ol, and Derivatives Thereof as Bioisosteres of the Carboxylic Acid Functional Group. ACS Med Chem Lett, Volume 8 (8), 2017";ChEMBL
MM474649;MM474649;CC(=O)N1c2ccc(C3=CCNCC3)cc2N(Cc2ccccc2CO)CC1C1CC1;ARWMKZDWGIOCEU-AREMUKBSSA-N;417.55;3.71;137321204;;;CHEMBL4218735;GENER;EPAM;25;0;"<a href=https://www.ebi.ac.uk/chembl/assay_report_card/CHEMBL4189297/  target=_blank>CHEMBL4189297</a>";;;;;;;;;-4.96;;;;;;;;;;;;"Law RP, Atkinson SJ, Bamborough P, Chung CW, Demont EH, Gordon LJ, Lindon M, Prinjha RK, Watson AJB, Hirst DJ.: Discovery of Tetrahydroquinoxalines as Bromodomain and Extra-Terminal Domain (BET) Inhibitors with Selectivity for the Second Bromodomain. J Med Chem, Volume 61 (10), 2018";ChEMBL
MM473593;MM473593;CC1(C)Cc2c(c(C(=O)Nc3ccccc3C(F)(F)F)cc3[nH]c(Nc4c(F)cccc4Cl)nc23)O1;DYVRXKKGZCZAFB-UHFFFAOYSA-N;518.9;7.08;67504030;;;CHEMBL4224733;GENER;EPAM;25;0;"<a href=https://www.ebi.ac.uk/chembl/assay_report_card/CHEMBL4221873/  target=_blank>CHEMBL4221873</a>";;;;;;;;;-6.92;;;;;;;;;;;;"Muthukaman N, Deshmukh S, Tambe M, Pisal D, Tondlekar S, Shaikh M, Sarode N, Kattige VG, Sawant P, Pisat M, Karande V, Honnegowda S, Kulkarni A, Behera D, Jadhav SB, Sangana RR, Gudi GS, Khairatkar-Joshi N, Gharat LA.: Alleviating CYP and hERG liabilities by structure optimization of dihydrofuran-fused tricyclic benzo[d]imidazole series - Potent, selective and orally efficacious microsomal prostaglandin E synthase-1 (mPGES-1) inhibitors: Part-2. Bioorg Med Chem Lett, Volume 28 (7), 2018";ChEMBL
MM473600;MM473600;Cc1ccccc1CN1CCC(NC(=O)Nc2cccc(C(F)(F)F)c2)CC1;NTVLCEYGKMDMPJ-UHFFFAOYSA-N;391.44;4.8;126696273;;;CHEMBL4224741;GENER;EPAM;25;0;"<a href=https://www.ebi.ac.uk/chembl/assay_report_card/CHEMBL4222546/  target=_blank>CHEMBL4222546</a>";;;;;;;;;-2.92;;;;;;;;;;;;"Hammill JT, Scott DC, Min J, Connelly MC, Holbrook G, Zhu F, Matheny A, Yang L, Singh B, Schulman BA, Guy RK.: Piperidinyl Ureas Chemically Control Defective in Cullin Neddylation 1 (DCN1)-Mediated Cullin Neddylation. J Med Chem, Volume 61 (7), 2018";ChEMBL
MM471750;MM471750;O=c1[nH][nH]c2cc(Cl)ccc12;;168.58;1.92;15219883;;;CHEMBL4224785;GENER;EPAM;25;0;"<a href=https://www.ebi.ac.uk/chembl/assay_report_card/CHEMBL4221099/  target=_blank>CHEMBL4221099</a>";;;;;;;;;-5.02;;;;;;;;;;;;"Szilágyi B, Kovács P, Ferenczy GG, Rácz A, Németh K, Visy J, Szabó P, Ilas J, Balogh GT, Monostory K, Vincze I, Tábi T, Szökő É, Keserű GM.: Discovery of isatin and 1H-indazol-3-ol derivatives as d-amino acid oxidase (DAAO) inhibitors. Bioorg Med Chem, Volume 26 (8), 2018";ChEMBL
MM471750;MM471750;O=c1[nH][nH]c2cc(Cl)ccc12;;168.58;1.92;15219883;;;CHEMBL4224785;GENER;EPAM;25;0;"ph = 6.5, <a href=https://www.ebi.ac.uk/chembl/assay_report_card/CHEMBL4221101/  target=_blank>CHEMBL4221101</a>";;;;;;;;;-5.13;;;;;;;;;;;;"Szilágyi B, Kovács P, Ferenczy GG, Rácz A, Németh K, Visy J, Szabó P, Ilas J, Balogh GT, Monostory K, Vincze I, Tábi T, Szökő É, Keserű GM.: Discovery of isatin and 1H-indazol-3-ol derivatives as d-amino acid oxidase (DAAO) inhibitors. Bioorg Med Chem, Volume 26 (8), 2018";ChEMBL
MM471750;MM471750;O=c1[nH][nH]c2cc(Cl)ccc12;;168.58;1.92;15219883;;;CHEMBL4224785;GENER;EPAM;25;0;"ph = 7.4, <a href=https://www.ebi.ac.uk/chembl/assay_report_card/CHEMBL4221103/  target=_blank>CHEMBL4221103</a>";;;;;;;;;-5.35;;;;;;;;;;;;"Szilágyi B, Kovács P, Ferenczy GG, Rácz A, Németh K, Visy J, Szabó P, Ilas J, Balogh GT, Monostory K, Vincze I, Tábi T, Szökő É, Keserű GM.: Discovery of isatin and 1H-indazol-3-ol derivatives as d-amino acid oxidase (DAAO) inhibitors. Bioorg Med Chem, Volume 26 (8), 2018";ChEMBL
MM472860;MM472860;CCc1c(C)nn(CCNC(=O)C2C(c3ccc(F)cc3)C2(C)C)c1C;GQZOLOMMBPRALU-UHFFFAOYSA-N;357.47;3.76;145968977;;;CHEMBL4224897;GENER;EPAM;25;0;"<a href=https://www.ebi.ac.uk/chembl/assay_report_card/CHEMBL4223597/  target=_blank>CHEMBL4223597</a>";;;;;;;;;-4.4;;;;;;;;;;;;"Nair RR, Geldenhuys WJ, Piktel D, Sadana P, Gibson LF.: Novel compounds that target lipoprotein lipase and mediate growth arrest in acute lymphoblastic leukemia. Bioorg Med Chem Lett, Volume 28 (10), 2018";ChEMBL
MM473596;MM473596;CC1(C)Cc2c(c(C(=O)Nc3ccc(F)c(C(F)(F)F)c3)cc3[nH]c(Nc4c(F)cccc4Cl)nc23)O1;RNSBVQNXRDUTET-UHFFFAOYSA-N;536.89;7.22;56970444;;;CHEMBL4224969;GENER;EPAM;25;0;"<a href=https://www.ebi.ac.uk/chembl/assay_report_card/CHEMBL4221873/  target=_blank>CHEMBL4221873</a>";;;;;;;;;-6.48;;;;;;;;;;;;"Muthukaman N, Deshmukh S, Tambe M, Pisal D, Tondlekar S, Shaikh M, Sarode N, Kattige VG, Sawant P, Pisat M, Karande V, Honnegowda S, Kulkarni A, Behera D, Jadhav SB, Sangana RR, Gudi GS, Khairatkar-Joshi N, Gharat LA.: Alleviating CYP and hERG liabilities by structure optimization of dihydrofuran-fused tricyclic benzo[d]imidazole series - Potent, selective and orally efficacious microsomal prostaglandin E synthase-1 (mPGES-1) inhibitors: Part-2. Bioorg Med Chem Lett, Volume 28 (7), 2018";ChEMBL
MM474343;MM474343;Cc1cc(C(=O)NC2CCCCCC=CC3CC3(C(=O)NS(=O)(=O)C3(C)CC3)NC(=O)C3CC(Oc4nc5cc(F)ccc5nc4C(F)(F)F)CN3C2=O)no1;SQCYOJAPKHVYBY-ZNEDVOBGSA-N;805.81;3.62;67287819;;;CHEMBL4224975;GENER;EPAM;25;0;"<a href=https://www.ebi.ac.uk/chembl/assay_report_card/CHEMBL4219998/  target=_blank>CHEMBL4219998</a>";;;;;;;;;-4.92;;;;;;;;;;;;"DeGoey DA, Chen HJ, Cox PB, Wendt MD.: Beyond the Rule of 5: Lessons Learned from AbbVie's Drugs and Compound Collection. J Med Chem, Volume 61 (7), 2018";ChEMBL
MM473592;MM473592;CCC(C)C(C(CC(=O)N1CCCC1C(OC)C(C)C(=O)NC(Cc1ccccc1)c1nc(C(=O)OCCS)cs1)OC)N(C)C(=O)C(NC(=O)C(C(C)C)N(C)C)C(C)C;GWJFAEYFSZRRFF-YZFYAKCFSA-N;889.24;5.28;131978891;;;CHEMBL4225187;GENER;EPAM;25;0;"<a href=https://www.ebi.ac.uk/chembl/assay_report_card/CHEMBL4220926/  target=_blank>CHEMBL4220926</a>";;;;;;;;;-8.3;;;;;;;;;;;;"Yokosaka S, Izawa A, Sakai C, Sakurada E, Morita Y, Nishio Y.: Synthesis and evaluation of novel dolastatin 10 derivatives for versatile conjugations. Bioorg Med Chem, Volume 26 (8), 2018";ChEMBL
MM473603;MM473603;O=C(Nc1cccc(C(F)(F)F)c1)NC1CCN(Cc2cccc(Cl)c2)CC1;VKWPMMIKZVOWQM-UHFFFAOYSA-N;411.86;5.14;126696352;;;CHEMBL4225274;GENER;EPAM;25;0;"<a href=https://www.ebi.ac.uk/chembl/assay_report_card/CHEMBL4222546/  target=_blank>CHEMBL4222546</a>";;;;;;;;;-2.77;;;;;;;;;;;;"Hammill JT, Scott DC, Min J, Connelly MC, Holbrook G, Zhu F, Matheny A, Yang L, Singh B, Schulman BA, Guy RK.: Piperidinyl Ureas Chemically Control Defective in Cullin Neddylation 1 (DCN1)-Mediated Cullin Neddylation. J Med Chem, Volume 61 (7), 2018";ChEMBL
MM474702;MM474702;C=CC(=O)NCCCCC(NC(=O)Cc1ccccc1)C(=O)N1CCN(c2ccc(C(F)(F)F)nc2)CC1;JDLXDLRUJFWBQX-QFIPXVFZSA-N;531.58;2.95;145967599;;;CHEMBL4225325;GENER;EPAM;25;0;"<a href=https://www.ebi.ac.uk/chembl/assay_report_card/CHEMBL4223782/  target=_blank>CHEMBL4223782</a>";;;;;;;;;-5.05;;;;;;;;;;;;"Wodtke R, Hauser C, Ruiz-Gómez G, Jäckel E, Bauer D, Lohse M, Wong A, Pufe J, Ludwig FA, Fischer S, Hauser S, Greif D, Pisabarro MT, Pietzsch J, Pietsch M, Löser R.: N<sup>ε</sup>-Acryloyllysine Piperazides as Irreversible Inhibitors of Transglutaminase 2: Synthesis, Structure-Activity Relationships, and Pharmacokinetic Profiling. J Med Chem, Volume 61 (10), 2018";ChEMBL
MM473601;MM473601;O=C(Nc1cccc(C(F)(F)F)c1)NC1CCN(Cc2ccccc2Cl)CC1;WSXXWFWKCZIWBN-UHFFFAOYSA-N;411.86;5.14;126696265;;;CHEMBL4225341;GENER;EPAM;25;0;"<a href=https://www.ebi.ac.uk/chembl/assay_report_card/CHEMBL4222546/  target=_blank>CHEMBL4222546</a>";;;;;;;;;-3.08;;;;;;;;;;;;"Hammill JT, Scott DC, Min J, Connelly MC, Holbrook G, Zhu F, Matheny A, Yang L, Singh B, Schulman BA, Guy RK.: Piperidinyl Ureas Chemically Control Defective in Cullin Neddylation 1 (DCN1)-Mediated Cullin Neddylation. J Med Chem, Volume 61 (7), 2018";ChEMBL
MM473589;MM473589;CCC(C)C(C(CC(=O)N1CCCC1C(OC)C(C)C(=O)NC(Cc1ccccc1)c1nc(C(=O)N(C)CCS)cs1)OC)N(C)C(=O)C(NC(=O)C(C(C)C)N(C)C)C(C)C;SVVWOTLVRNRXSQ-FKGFFCKPSA-N;902.28;5.19;131978925;;;CHEMBL4225348;GENER;EPAM;25;0;"<a href=https://www.ebi.ac.uk/chembl/assay_report_card/CHEMBL4220926/  target=_blank>CHEMBL4220926</a>";;;;;;;;;-5.96;;;;;;;;;;;;"Yokosaka S, Izawa A, Sakai C, Sakurada E, Morita Y, Nishio Y.: Synthesis and evaluation of novel dolastatin 10 derivatives for versatile conjugations. Bioorg Med Chem, Volume 26 (8), 2018";ChEMBL
MM474689;MM474689;Cc1ncsc1-c1ccc(CNC(=O)C2CC(O)CN2C(=O)C(NC(=O)C2(F)CC2)C(C)(C)C)cc1;GFNCBUDQFXZVNN-SVFBPWRDSA-N;516.64;2.73;129900323;;;CHEMBL4225470;GENER;EPAM;25;0;"<a href=https://www.ebi.ac.uk/chembl/assay_report_card/CHEMBL4219886/  target=_blank>CHEMBL4219886</a>";;;;;;;;;-5.57;;;;;;;;;;;;"Soares P, Gadd MS, Frost J, Galdeano C, Ellis L, Epemolu O, Rocha S, Read KD, Ciulli A.: Group-Based Optimization of Potent and Cell-Active Inhibitors of the von Hippel-Lindau (VHL) E3 Ubiquitin Ligase: Structure-Activity Relationships Leading to the Chemical Probe (2S,4R)-1-((S)-2-(1-Cyanocyclopropanecarboxamido)-3,3-dimethylbutanoyl)-4-hydroxy-N-(4-(4-methylthiazol-5-yl)benzyl)pyrrolidine-2-carboxamide (VH298). J Med Chem, Volume 61 (2), 2018";ChEMBL
MM472338;MM472338;COc1cc(C(=O)N2CCC(NC(=O)c3ccccc3OC(F)(F)F)c3c2cnn3C(C)C)cnc1OC;MOKGQUKWOUYHHS-KRWDZBQOSA-N;533.51;4.3;134278122;;;CHEMBL4225519;GENER;EPAM;25;0;"ph = 6.8, <a href=https://www.ebi.ac.uk/chembl/assay_report_card/CHEMBL4223808/  target=_blank>CHEMBL4223808</a>";;;;;;;;;-4.78;;;;;;;;;;;;"Kojima T, Asano Y, Kurasawa O, Hirata Y, Iwamura N, Wong TT, Saito B, Tanaka Y, Arai R, Yonemori K, Miyamoto Y, Sagiya Y, Yaguchi M, Shibata S, Mizutani A, Sano O, Adachi R, Satomi Y, Hirayama M, Aoyama K, Hiura Y, Kiba A, Kitamura S, Imamura S.: Discovery of novel serine palmitoyltransferase inhibitors as cancer therapeutic agents. Bioorg Med Chem, Volume 26 (9), 2018";ChEMBL
MM474342;MM474342;Cc1cc(C(=O)NC2CCCCCC=CC3CC3(C(=O)NS(=O)(=O)C3CC3)NC(=O)C3CC(Oc4nc5cc(F)ccc5nc4C(F)(F)F)CN3C2=O)no1;MXUVYGOUNHBREQ-NIDJOPNUSA-N;791.78;3.23;67290636;;;CHEMBL4225524;GENER;EPAM;25;0;"<a href=https://www.ebi.ac.uk/chembl/assay_report_card/CHEMBL4219998/  target=_blank>CHEMBL4219998</a>";;;;;;;;;-5.29;;;;;;;;;;;;"DeGoey DA, Chen HJ, Cox PB, Wendt MD.: Beyond the Rule of 5: Lessons Learned from AbbVie's Drugs and Compound Collection. J Med Chem, Volume 61 (7), 2018";ChEMBL
MM474690;MM474690;Cc1ncsc1-c1ccc(CNC(=O)C2CC(O)CN2C(=O)C(NC(=O)C2(C#N)CC2)C(C)(C)C)cc1;NDVQUNZCNAMROD-RZUBCFFCSA-N;523.66;2.53;122199236;;;CHEMBL4225537;GENER;EPAM;25;0;"<a href=https://www.ebi.ac.uk/chembl/assay_report_card/CHEMBL4219886/  target=_blank>CHEMBL4219886</a>";;;;;;;;;-5.71;;;;;;;;;;;;"Soares P, Gadd MS, Frost J, Galdeano C, Ellis L, Epemolu O, Rocha S, Read KD, Ciulli A.: Group-Based Optimization of Potent and Cell-Active Inhibitors of the von Hippel-Lindau (VHL) E3 Ubiquitin Ligase: Structure-Activity Relationships Leading to the Chemical Probe (2S,4R)-1-((S)-2-(1-Cyanocyclopropanecarboxamido)-3,3-dimethylbutanoyl)-4-hydroxy-N-(4-(4-methylthiazol-5-yl)benzyl)pyrrolidine-2-carboxamide (VH298). J Med Chem, Volume 61 (2), 2018";ChEMBL
MM474704;MM474704;C=CC(=O)NCCCCC(NC(=O)Cc1ccccc1)C(=O)N1CCN(C(=O)c2ccc(F)cc2)CC1;FHPSMRJHTSYURF-DEOSSOPVSA-N;508.59;2.31;145970586;;;CHEMBL4225580;GENER;EPAM;25;0;"<a href=https://www.ebi.ac.uk/chembl/assay_report_card/CHEMBL4223782/  target=_blank>CHEMBL4223782</a>";;;;;;;;;-5.52;;;;;;;;;;;;"Wodtke R, Hauser C, Ruiz-Gómez G, Jäckel E, Bauer D, Lohse M, Wong A, Pufe J, Ludwig FA, Fischer S, Hauser S, Greif D, Pisabarro MT, Pietzsch J, Pietsch M, Löser R.: N<sup>ε</sup>-Acryloyllysine Piperazides as Irreversible Inhibitors of Transglutaminase 2: Synthesis, Structure-Activity Relationships, and Pharmacokinetic Profiling. J Med Chem, Volume 61 (10), 2018";ChEMBL
MM473586;MM473586;CCC(C)C(C(CC(=O)N1CCCC1C(OC)C(C)C(=O)NC(Cc1ccccc1)c1nc(C(=O)NCCc2ccc(O)cc2)cs1)OC)N(C)C(=O)C(NC(=O)C(C(C)C)N(C)C)C(C)C;REVGRFUOLGEPFT-JEXQOLMDSA-N;948.29;5.87;137456260;;;CHEMBL4225638;GENER;EPAM;25;0;"<a href=https://www.ebi.ac.uk/chembl/assay_report_card/CHEMBL4220926/  target=_blank>CHEMBL4220926</a>";;;;;;;;;-6.44;;;;;;;;;;;;"Yokosaka S, Izawa A, Sakai C, Sakurada E, Morita Y, Nishio Y.: Synthesis and evaluation of novel dolastatin 10 derivatives for versatile conjugations. Bioorg Med Chem, Volume 26 (8), 2018";ChEMBL
MM474694;MM474694;Cc1ncsc1-c1ccc(CNC(=O)C2CC(O)CN2C(=O)C(NC(=O)C2COC2)C(C)(C)C)cc1;NKBZEWGYKXYCGU-RZUBCFFCSA-N;514.65;1.87;117719894;;;CHEMBL4225714;GENER;EPAM;25;0;"<a href=https://www.ebi.ac.uk/chembl/assay_report_card/CHEMBL4219886/  target=_blank>CHEMBL4219886</a>";;;;;;;;;-7.52;;;;;;;;;;;;"Soares P, Gadd MS, Frost J, Galdeano C, Ellis L, Epemolu O, Rocha S, Read KD, Ciulli A.: Group-Based Optimization of Potent and Cell-Active Inhibitors of the von Hippel-Lindau (VHL) E3 Ubiquitin Ligase: Structure-Activity Relationships Leading to the Chemical Probe (2S,4R)-1-((S)-2-(1-Cyanocyclopropanecarboxamido)-3,3-dimethylbutanoyl)-4-hydroxy-N-(4-(4-methylthiazol-5-yl)benzyl)pyrrolidine-2-carboxamide (VH298). J Med Chem, Volume 61 (2), 2018";ChEMBL
MM473602;MM473602;O=C(Nc1cccc(C(F)(F)F)c1)NC1CCN(Cc2ccccc2F)CC1;AXQWAOFRIRMEQQ-UHFFFAOYSA-N;395.4;4.63;126696323;;;CHEMBL4225720;GENER;EPAM;25;0;"<a href=https://www.ebi.ac.uk/chembl/assay_report_card/CHEMBL4222546/  target=_blank>CHEMBL4222546</a>";;;;;;;;;-2.82;;;;;;;;;;;;"Hammill JT, Scott DC, Min J, Connelly MC, Holbrook G, Zhu F, Matheny A, Yang L, Singh B, Schulman BA, Guy RK.: Piperidinyl Ureas Chemically Control Defective in Cullin Neddylation 1 (DCN1)-Mediated Cullin Neddylation. J Med Chem, Volume 61 (7), 2018";ChEMBL
MM474687;MM474687;Cc1ncsc1-c1ccc(CNC(=O)C2CC(O)CN2C(=O)C(NC(=O)CO)C(C)(C)C)cc1;OFCMFZVSIVJIET-LVCYWYKZSA-N;488.61;1.22;129900321;;;CHEMBL4225856;GENER;EPAM;25;0;"<a href=https://www.ebi.ac.uk/chembl/assay_report_card/CHEMBL4219886/  target=_blank>CHEMBL4219886</a>";;;;;;;;;-8;;;;;;;;;;;;"Soares P, Gadd MS, Frost J, Galdeano C, Ellis L, Epemolu O, Rocha S, Read KD, Ciulli A.: Group-Based Optimization of Potent and Cell-Active Inhibitors of the von Hippel-Lindau (VHL) E3 Ubiquitin Ligase: Structure-Activity Relationships Leading to the Chemical Probe (2S,4R)-1-((S)-2-(1-Cyanocyclopropanecarboxamido)-3,3-dimethylbutanoyl)-4-hydroxy-N-(4-(4-methylthiazol-5-yl)benzyl)pyrrolidine-2-carboxamide (VH298). J Med Chem, Volume 61 (2), 2018";ChEMBL
MM471751;MM471751;O=c1[nH][nH]c2cc(F)ccc12;;152.13;1.41;24728218;;;CHEMBL4225929;GENER;EPAM;25;0;"<a href=https://www.ebi.ac.uk/chembl/assay_report_card/CHEMBL4221099/  target=_blank>CHEMBL4221099</a>";;;;;;;;;-5.92;;;;;;;;;;;;"Szilágyi B, Kovács P, Ferenczy GG, Rácz A, Németh K, Visy J, Szabó P, Ilas J, Balogh GT, Monostory K, Vincze I, Tábi T, Szökő É, Keserű GM.: Discovery of isatin and 1H-indazol-3-ol derivatives as d-amino acid oxidase (DAAO) inhibitors. Bioorg Med Chem, Volume 26 (8), 2018";ChEMBL
MM471751;MM471751;O=c1[nH][nH]c2cc(F)ccc12;;152.13;1.41;24728218;;;CHEMBL4225929;GENER;EPAM;25;0;"ph = 7.4, <a href=https://www.ebi.ac.uk/chembl/assay_report_card/CHEMBL4221103/  target=_blank>CHEMBL4221103</a>";;;;;;;;;-6.14;;;;;;;;;;;;"Szilágyi B, Kovács P, Ferenczy GG, Rácz A, Németh K, Visy J, Szabó P, Ilas J, Balogh GT, Monostory K, Vincze I, Tábi T, Szökő É, Keserű GM.: Discovery of isatin and 1H-indazol-3-ol derivatives as d-amino acid oxidase (DAAO) inhibitors. Bioorg Med Chem, Volume 26 (8), 2018";ChEMBL
MM473591;MM473591;CCC(C)C(C(CC(=O)N1CCCC1C(OC)C(C)C(=O)NC(Cc1ccccc1)c1nc(C(=O)OCCO)cs1)OC)N(C)C(=O)C(NC(=O)C(C(C)C)N(C)C)C(C)C;HPFICFHCGYJROU-YZFYAKCFSA-N;873.17;4.34;131978915;;;CHEMBL4226041;GENER;EPAM;25;0;"<a href=https://www.ebi.ac.uk/chembl/assay_report_card/CHEMBL4220926/  target=_blank>CHEMBL4220926</a>";;;;;;;;;-7.4;;;;;;;;;;;;"Yokosaka S, Izawa A, Sakai C, Sakurada E, Morita Y, Nishio Y.: Synthesis and evaluation of novel dolastatin 10 derivatives for versatile conjugations. Bioorg Med Chem, Volume 26 (8), 2018";ChEMBL
MM473576;MM473576;COc1ncc(-c2cc3c(C)nc(N)nc3s2)cc1NS(=O)(=O)c1ccc(F)cc1F;VAWUMMRNRUYZAS-UHFFFAOYSA-N;463.49;3.73;141471200;;;CHEMBL4226082;GENER;EPAM;25;0;"<a href=https://www.ebi.ac.uk/chembl/assay_report_card/CHEMBL4220372/  target=_blank>CHEMBL4220372</a>";;;;;;;;;-5.32;;;;;;;;;;;;"Lin S, Wang C, Ji M, Wu D, Lv Y, Sheng L, Han F, Dong Y, Zhang K, Yang Y, Li Y, Chen X, Xu H.: Discovery of new thienopyrimidine derivatives as potent and orally efficacious phosphoinositide 3-kinase inhibitors. Bioorg Med Chem, Volume 26 (3), 2018";ChEMBL
MM473585;MM473585;CCC(C)C(C(CC(=O)N1CCCC1C(OC)C(C)C(=O)NC(Cc1ccccc1)c1nc(C(=O)NCCc2ccc(N)cc2)cs1)OC)N(C)C(=O)C(NC(=O)C(C(C)C)N(C)C)C(C)C;HQTOWTYNDOWOLW-JEXQOLMDSA-N;947.3;5.75;131978664;;;CHEMBL4226240;GENER;EPAM;25;0;"<a href=https://www.ebi.ac.uk/chembl/assay_report_card/CHEMBL4220926/  target=_blank>CHEMBL4220926</a>";;;;;;;;;-6.52;;;;;;;;;;;;"Yokosaka S, Izawa A, Sakai C, Sakurada E, Morita Y, Nishio Y.: Synthesis and evaluation of novel dolastatin 10 derivatives for versatile conjugations. Bioorg Med Chem, Volume 26 (8), 2018";ChEMBL
MM473587;MM473587;CCC(C)C(C(CC(=O)N1CCCC1C(OC)C(C)C(=O)NC(Cc1ccccc1)c1nc(C(=O)N(C)CCN)cs1)OC)N(C)C(=O)C(NC(=O)C(C(C)C)N(C)C)C(C)C;XQEJGGSNLRLNIY-FKGFFCKPSA-N;885.23;4.22;131978928;;;CHEMBL4226337;GENER;EPAM;25;0;"<a href=https://www.ebi.ac.uk/chembl/assay_report_card/CHEMBL4220926/  target=_blank>CHEMBL4220926</a>";;;;;;;;;-7.14;;;;;;;;;;;;"Yokosaka S, Izawa A, Sakai C, Sakurada E, Morita Y, Nishio Y.: Synthesis and evaluation of novel dolastatin 10 derivatives for versatile conjugations. Bioorg Med Chem, Volume 26 (8), 2018";ChEMBL
MM474706;MM474706;C=CC(=O)NCCCCC(NC(=O)Cc1ccccc1)C(=O)N1CCN(S(=O)(=O)c2cccc3c(N(C)C)cccc23)CC1;ITOAEXJJBTZGFZ-NDEPHWFRSA-N;619.79;2.94;145970177;;;CHEMBL4226532;GENER;EPAM;25;0;"<a href=https://www.ebi.ac.uk/chembl/assay_report_card/CHEMBL4223782/  target=_blank>CHEMBL4223782</a>";;;;;;;;;-5.11;;;;;;;;;;;;"Wodtke R, Hauser C, Ruiz-Gómez G, Jäckel E, Bauer D, Lohse M, Wong A, Pufe J, Ludwig FA, Fischer S, Hauser S, Greif D, Pisabarro MT, Pietzsch J, Pietsch M, Löser R.: N<sup>ε</sup>-Acryloyllysine Piperazides as Irreversible Inhibitors of Transglutaminase 2: Synthesis, Structure-Activity Relationships, and Pharmacokinetic Profiling. J Med Chem, Volume 61 (10), 2018";ChEMBL
MM473597;MM473597;Cc1cccc(Cl)c1Nc1nc2c3c(c(C(=O)Nc4cc(C(F)(F)F)ccc4F)cc2[nH]1)OC(C)(C)C3;NEDYVEZMEJJRFC-UHFFFAOYSA-N;532.93;7.39;56970445;;;CHEMBL4226545;GENER;EPAM;25;0;"<a href=https://www.ebi.ac.uk/chembl/assay_report_card/CHEMBL4221873/  target=_blank>CHEMBL4221873</a>";;;;;;;;;-5.87;;;;;;;;;;;;"Muthukaman N, Deshmukh S, Tambe M, Pisal D, Tondlekar S, Shaikh M, Sarode N, Kattige VG, Sawant P, Pisat M, Karande V, Honnegowda S, Kulkarni A, Behera D, Jadhav SB, Sangana RR, Gudi GS, Khairatkar-Joshi N, Gharat LA.: Alleviating CYP and hERG liabilities by structure optimization of dihydrofuran-fused tricyclic benzo[d]imidazole series - Potent, selective and orally efficacious microsomal prostaglandin E synthase-1 (mPGES-1) inhibitors: Part-2. Bioorg Med Chem Lett, Volume 28 (7), 2018";ChEMBL
MM473607;MM473607;O=C(Nc1cccc(-n2cccc2)c1)NC1CCN(Cc2ccccc2)CC1;XGNKUIUINUHCLE-UHFFFAOYSA-N;374.49;4.26;56505401;;;CHEMBL4226732;GENER;EPAM;25;0;"<a href=https://www.ebi.ac.uk/chembl/assay_report_card/CHEMBL4222546/  target=_blank>CHEMBL4222546</a>";;;;;;;;;-3.03;;;;;;;;;;;;"Hammill JT, Scott DC, Min J, Connelly MC, Holbrook G, Zhu F, Matheny A, Yang L, Singh B, Schulman BA, Guy RK.: Piperidinyl Ureas Chemically Control Defective in Cullin Neddylation 1 (DCN1)-Mediated Cullin Neddylation. J Med Chem, Volume 61 (7), 2018";ChEMBL
MM473588;MM473588;CCC(C)C(C(CC(=O)N1CCCC1C(OC)C(C)C(=O)NC(Cc1ccccc1)c1nc(C(=O)N(C)CCO)cs1)OC)N(C)C(=O)C(NC(=O)C(C(C)C)N(C)C)C(C)C;GNKJMHTUSCDJPY-FKGFFCKPSA-N;886.21;4.25;131978666;;;CHEMBL4226764;GENER;EPAM;25;0;"<a href=https://www.ebi.ac.uk/chembl/assay_report_card/CHEMBL4220926/  target=_blank>CHEMBL4220926</a>";;;;;;;;;-7.11;;;;;;;;;;;;"Yokosaka S, Izawa A, Sakai C, Sakurada E, Morita Y, Nishio Y.: Synthesis and evaluation of novel dolastatin 10 derivatives for versatile conjugations. Bioorg Med Chem, Volume 26 (8), 2018";ChEMBL
MM474345;MM474345;Cn1ccc(C(=O)NC2CCCCCC=CC3CC3(C(=O)NS(=O)(=O)C3(C)CC3)NC(=O)C3CC(Oc4nc5cc(OC(F)(F)F)ccc5c5ccc(F)cc45)CN3C2=O)n1;QPBWLPBIWMIJKU-AUJSSBBKSA-N;869.9;4.7;117860572;;;CHEMBL4226782;GENER;EPAM;25;0;"<a href=https://www.ebi.ac.uk/chembl/assay_report_card/CHEMBL4219998/  target=_blank>CHEMBL4219998</a>";;;;;;;;;-7.22;;;;;;;;;;;;"DeGoey DA, Chen HJ, Cox PB, Wendt MD.: Beyond the Rule of 5: Lessons Learned from AbbVie's Drugs and Compound Collection. J Med Chem, Volume 61 (7), 2018";ChEMBL
MM474699;MM474699;C=CC(=O)NCCCCC(NC(=O)Cc1ccccc1)C(=O)N1CCN(c2cccc(-c3ccccc3)n2)CC1;FRCGVDAQVWFVTG-NDEPHWFRSA-N;539.68;3.6;145969956;;;CHEMBL4226785;GENER;EPAM;25;0;"<a href=https://www.ebi.ac.uk/chembl/assay_report_card/CHEMBL4223782/  target=_blank>CHEMBL4223782</a>";;;;;;;;;-4.66;;;;;;;;;;;;"Wodtke R, Hauser C, Ruiz-Gómez G, Jäckel E, Bauer D, Lohse M, Wong A, Pufe J, Ludwig FA, Fischer S, Hauser S, Greif D, Pisabarro MT, Pietzsch J, Pietsch M, Löser R.: N<sup>ε</sup>-Acryloyllysine Piperazides as Irreversible Inhibitors of Transglutaminase 2: Synthesis, Structure-Activity Relationships, and Pharmacokinetic Profiling. J Med Chem, Volume 61 (10), 2018";ChEMBL
MM474710;MM474710;C=CC(=O)NCCCCC(NC(=O)Cc1ccccc1F)C(=O)N1CCN(c2cccc(C)n2)CC1;ARHYUUNSDCDOJQ-QHCPKHFHSA-N;495.6;2.38;145969733;;;CHEMBL4226871;GENER;EPAM;25;0;"<a href=https://www.ebi.ac.uk/chembl/assay_report_card/CHEMBL4223782/  target=_blank>CHEMBL4223782</a>";;;;;;;;;-4.94;;;;;;;;;;;;"Wodtke R, Hauser C, Ruiz-Gómez G, Jäckel E, Bauer D, Lohse M, Wong A, Pufe J, Ludwig FA, Fischer S, Hauser S, Greif D, Pisabarro MT, Pietzsch J, Pietsch M, Löser R.: N<sup>ε</sup>-Acryloyllysine Piperazides as Irreversible Inhibitors of Transglutaminase 2: Synthesis, Structure-Activity Relationships, and Pharmacokinetic Profiling. J Med Chem, Volume 61 (10), 2018";ChEMBL
MM473590;MM473590;CCC(C)C(C(CC(=O)N1CCCC1C(OC)C(C)C(=O)NC(Cc1ccccc1)c1nc(C(=O)OCCN)cs1)OC)N(C)C(=O)C(NC(=O)C(C(C)C)N(C)C)C(C)C;JOYXTWWWQMGBCU-YZFYAKCFSA-N;872.19;4.31;131978926;;;CHEMBL4227034;GENER;EPAM;25;0;"<a href=https://www.ebi.ac.uk/chembl/assay_report_card/CHEMBL4220926/  target=_blank>CHEMBL4220926</a>";;;;;;;;;-8.15;;;;;;;;;;;;"Yokosaka S, Izawa A, Sakai C, Sakurada E, Morita Y, Nishio Y.: Synthesis and evaluation of novel dolastatin 10 derivatives for versatile conjugations. Bioorg Med Chem, Volume 26 (8), 2018";ChEMBL
MM474701;MM474701;C=CC(=O)NCCCCC(NC(=O)Cc1ccccc1)C(=O)N1CCN(c2ccc(F)nc2)CC1;VBBPTJBIXWFFTD-QFIPXVFZSA-N;481.57;2.07;145969060;;;CHEMBL4227042;GENER;EPAM;25;0;"<a href=https://www.ebi.ac.uk/chembl/assay_report_card/CHEMBL4223782/  target=_blank>CHEMBL4223782</a>";;;;;;;;;-5.45;;;;;;;;;;;;"Wodtke R, Hauser C, Ruiz-Gómez G, Jäckel E, Bauer D, Lohse M, Wong A, Pufe J, Ludwig FA, Fischer S, Hauser S, Greif D, Pisabarro MT, Pietzsch J, Pietsch M, Löser R.: N<sup>ε</sup>-Acryloyllysine Piperazides as Irreversible Inhibitors of Transglutaminase 2: Synthesis, Structure-Activity Relationships, and Pharmacokinetic Profiling. J Med Chem, Volume 61 (10), 2018";ChEMBL
MM474700;MM474700;C=CC(=O)NCCCC[C@H](NC(=O)Cc1ccccc1)C(=O)N1CCN(c2cccc([N+](=O)[O-])n2)CC1;NIVSSMKVJURCCV-NRFANRHFSA-N;508.58;1.84;;;;;GENER;EPAM;25;+1,-1;"<a href=https://www.ebi.ac.uk/chembl/assay_report_card/CHEMBL4223782/  target=_blank>CHEMBL4223782</a>";;;;;;;;;-5.04;;;;;;;;;;;;"Wodtke R, Hauser C, Ruiz-Gómez G, Jäckel E, Bauer D, Lohse M, Wong A, Pufe J, Ludwig FA, Fischer S, Hauser S, Greif D, Pisabarro MT, Pietzsch J, Pietsch M, Löser R.: N<sup>ε</sup>-Acryloyllysine Piperazides as Irreversible Inhibitors of Transglutaminase 2: Synthesis, Structure-Activity Relationships, and Pharmacokinetic Profiling. J Med Chem, Volume 61 (10), 2018";ChEMBL
MM473583;MM473583;CCC(C)C(C(CC(=O)N1CCCC1C(OC)C(C)C(=O)NC(Cc1ccccc1)c1nc(C(=O)NCCO)cs1)OC)N(C)C(=O)C(NC(=O)C(C(C)C)N(C)C)C(C)C;SUMMXQHUMUUIJC-YZFYAKCFSA-N;872.19;3.91;131978931;;;CHEMBL4227476;GENER;EPAM;25;0;"<a href=https://www.ebi.ac.uk/chembl/assay_report_card/CHEMBL4220926/  target=_blank>CHEMBL4220926</a>";;;;;;;;;-7.7;;;;;;;;;;;;"Yokosaka S, Izawa A, Sakai C, Sakurada E, Morita Y, Nishio Y.: Synthesis and evaluation of novel dolastatin 10 derivatives for versatile conjugations. Bioorg Med Chem, Volume 26 (8), 2018";ChEMBL
MM474346;MM474346;CC(=O)N(C)C(CC(C)(C)C)C(=O)NC1CCCCCC=CC2CC2(C(=O)NS(=O)(=O)C2(C)CC2)NC(=O)C2CC(Oc3nc4cc(F)ccc4c4ccccc34)CN2C1=O;ZHICRMLHJFDSBN-MKPWOLKHSA-N;861.05;5.04;145968626;;;CHEMBL4227567;GENER;EPAM;25;0;"<a href=https://www.ebi.ac.uk/chembl/assay_report_card/CHEMBL4219998/  target=_blank>CHEMBL4219998</a>";;;;;;;;;-6.55;;;;;;;;;;;;"DeGoey DA, Chen HJ, Cox PB, Wendt MD.: Beyond the Rule of 5: Lessons Learned from AbbVie's Drugs and Compound Collection. J Med Chem, Volume 61 (7), 2018";ChEMBL
MM474708;MM474708;C=CC(=O)NCCCCC(NC(=O)c1ccc(F)cc1)C(=O)N1CCN(c2cccc(C)n2)CC1;HWCPOPURFYACDJ-QFIPXVFZSA-N;481.57;2.45;145969753;;;CHEMBL4227587;GENER;EPAM;25;0;"<a href=https://www.ebi.ac.uk/chembl/assay_report_card/CHEMBL4223782/  target=_blank>CHEMBL4223782</a>";;;;;;;;;-4.9;;;;;;;;;;;;"Wodtke R, Hauser C, Ruiz-Gómez G, Jäckel E, Bauer D, Lohse M, Wong A, Pufe J, Ludwig FA, Fischer S, Hauser S, Greif D, Pisabarro MT, Pietzsch J, Pietsch M, Löser R.: N<sup>ε</sup>-Acryloyllysine Piperazides as Irreversible Inhibitors of Transglutaminase 2: Synthesis, Structure-Activity Relationships, and Pharmacokinetic Profiling. J Med Chem, Volume 61 (10), 2018";ChEMBL
MM474707;MM474707;C=CC(=O)NCCCCC(NC(=O)Nc1ccc(F)cc1)C(=O)N1CCN(c2cccc(C)n2)CC1;WFNSMSYRZSTVOQ-QFIPXVFZSA-N;496.59;2.84;145970218;;;CHEMBL4227594;GENER;EPAM;25;0;"<a href=https://www.ebi.ac.uk/chembl/assay_report_card/CHEMBL4223782/  target=_blank>CHEMBL4223782</a>";;;;;;;;;-4.9;;;;;;;;;;;;"Wodtke R, Hauser C, Ruiz-Gómez G, Jäckel E, Bauer D, Lohse M, Wong A, Pufe J, Ludwig FA, Fischer S, Hauser S, Greif D, Pisabarro MT, Pietzsch J, Pietsch M, Löser R.: N<sup>ε</sup>-Acryloyllysine Piperazides as Irreversible Inhibitors of Transglutaminase 2: Synthesis, Structure-Activity Relationships, and Pharmacokinetic Profiling. J Med Chem, Volume 61 (10), 2018";ChEMBL
MM473595;MM473595;Cc1cc(C(F)(F)F)ccc1NC(=O)c1cc2[nH]c(Nc3c(F)cccc3Cl)nc2c2c1OC(C)(C)C2;IGHAUGKWUXJQHG-UHFFFAOYSA-N;532.93;7.39;56970656;;;CHEMBL4227610;GENER;EPAM;25;0;"<a href=https://www.ebi.ac.uk/chembl/assay_report_card/CHEMBL4221873/  target=_blank>CHEMBL4221873</a>";;;;;;;;;-6.51;;;;;;;;;;;;"Muthukaman N, Deshmukh S, Tambe M, Pisal D, Tondlekar S, Shaikh M, Sarode N, Kattige VG, Sawant P, Pisat M, Karande V, Honnegowda S, Kulkarni A, Behera D, Jadhav SB, Sangana RR, Gudi GS, Khairatkar-Joshi N, Gharat LA.: Alleviating CYP and hERG liabilities by structure optimization of dihydrofuran-fused tricyclic benzo[d]imidazole series - Potent, selective and orally efficacious microsomal prostaglandin E synthase-1 (mPGES-1) inhibitors: Part-2. Bioorg Med Chem Lett, Volume 28 (7), 2018";ChEMBL
MM474344;MM474344;Cc1cc(C(=O)NC2CCCCCC=CC3CC3(C(=O)NS(=O)(=O)C3(C)CC3)NC(=O)C3CC(Oc4nc5ccccc5c5ccc(F)cc45)CN3C2=O)no1;SIFYZFMJVHIGMJ-MPWCDZDGSA-N;786.88;4.36;71041888;;;CHEMBL4227650;GENER;EPAM;25;0;"<a href=https://www.ebi.ac.uk/chembl/assay_report_card/CHEMBL4219998/  target=_blank>CHEMBL4219998</a>";;;;;;;;;-6.72;;;;;;;;;;;;"DeGoey DA, Chen HJ, Cox PB, Wendt MD.: Beyond the Rule of 5: Lessons Learned from AbbVie's Drugs and Compound Collection. J Med Chem, Volume 61 (7), 2018";ChEMBL
MM472861;MM472861;Cc1ccnn1CCCCNC(=O)C1(C)CC1(Br)Br;OJCRHIAVGZRPPR-UHFFFAOYSA-N;393.12;2.98;145967930;;;CHEMBL4227726;GENER;EPAM;25;0;"<a href=https://www.ebi.ac.uk/chembl/assay_report_card/CHEMBL4223597/  target=_blank>CHEMBL4223597</a>";;;;;;;;;-4.53;;;;;;;;;;;;"Nair RR, Geldenhuys WJ, Piktel D, Sadana P, Gibson LF.: Novel compounds that target lipoprotein lipase and mediate growth arrest in acute lymphoblastic leukemia. Bioorg Med Chem Lett, Volume 28 (10), 2018";ChEMBL
MM473604;MM473604;O=C(Nc1cccc(C(F)(F)F)c1)NC1CCN(Cc2ccc(Cl)cc2)CC1;XBFANBVJNPHYGC-UHFFFAOYSA-N;411.86;5.14;126696376;;;CHEMBL4227811;GENER;EPAM;25;0;"<a href=https://www.ebi.ac.uk/chembl/assay_report_card/CHEMBL4222546/  target=_blank>CHEMBL4222546</a>";;;;;;;;;-2.89;;;;;;;;;;;;"Hammill JT, Scott DC, Min J, Connelly MC, Holbrook G, Zhu F, Matheny A, Yang L, Singh B, Schulman BA, Guy RK.: Piperidinyl Ureas Chemically Control Defective in Cullin Neddylation 1 (DCN1)-Mediated Cullin Neddylation. J Med Chem, Volume 61 (7), 2018";ChEMBL
MM474695;MM474695;CC1c2[nH]ncc2CN1C1=NC(NCc2c(F)cccc2C(F)(F)F)c2cccc(C(N)=O)c2N1;RLIXQSWDLDFNLY-ZIFPNCEFSA-N;487.46;3.81;145969326;;;CHEMBL4227839;GENER;EPAM;25;0;"<a href=https://www.ebi.ac.uk/chembl/assay_report_card/CHEMBL4222831/  target=_blank>CHEMBL4222831</a>";;;;;;;;;-4.83;;;;;;;;;;;;"Deaton DN, Haffner CD, Henke BR, Jeune MR, Shearer BG, Stewart EL, Stuart JD, Ulrich JC.: 2,4-Diamino-8-quinazoline carboxamides as novel, potent inhibitors of the NAD hydrolyzing enzyme CD38: Exploration of the 2-position structure-activity relationships. Bioorg Med Chem, Volume 26 (8), 2018";ChEMBL
MM474711;MM474711;C=CC(=O)NCCCCC(NC(=O)Cc1cccc(F)c1)C(=O)N1CCN(c2cccc(C)n2)CC1;FDKHGRMWEAUKFJ-QHCPKHFHSA-N;495.6;2.38;145967705;;;CHEMBL4227882;GENER;EPAM;25;0;"<a href=https://www.ebi.ac.uk/chembl/assay_report_card/CHEMBL4223782/  target=_blank>CHEMBL4223782</a>";;;;;;;;;-4.9;;;;;;;;;;;;"Wodtke R, Hauser C, Ruiz-Gómez G, Jäckel E, Bauer D, Lohse M, Wong A, Pufe J, Ludwig FA, Fischer S, Hauser S, Greif D, Pisabarro MT, Pietzsch J, Pietsch M, Löser R.: N<sup>ε</sup>-Acryloyllysine Piperazides as Irreversible Inhibitors of Transglutaminase 2: Synthesis, Structure-Activity Relationships, and Pharmacokinetic Profiling. J Med Chem, Volume 61 (10), 2018";ChEMBL
MM474688;MM474688;Cc1ncsc1-c1ccc(CNC(=O)C2CC(O)CN2C(=O)C(NC(=O)C2CC2)C(C)(C)C)cc1;TXHVAXXHWXOMKR-RZUBCFFCSA-N;498.65;2.64;129900322;;;CHEMBL4227893;GENER;EPAM;25;0;"<a href=https://www.ebi.ac.uk/chembl/assay_report_card/CHEMBL4219886/  target=_blank>CHEMBL4219886</a>";;;;;;;;;-6.21;;;;;;;;;;;;"Soares P, Gadd MS, Frost J, Galdeano C, Ellis L, Epemolu O, Rocha S, Read KD, Ciulli A.: Group-Based Optimization of Potent and Cell-Active Inhibitors of the von Hippel-Lindau (VHL) E3 Ubiquitin Ligase: Structure-Activity Relationships Leading to the Chemical Probe (2S,4R)-1-((S)-2-(1-Cyanocyclopropanecarboxamido)-3,3-dimethylbutanoyl)-4-hydroxy-N-(4-(4-methylthiazol-5-yl)benzyl)pyrrolidine-2-carboxamide (VH298). J Med Chem, Volume 61 (2), 2018";ChEMBL
MM473579;MM473579;CCNC(=O)c1csc(C(Cc2ccccc2)NC(=O)C(C)C(OC)C2CCCN2C(=O)CC(OC)C(C(C)CC)N(C)C(=O)C(NC(=O)C(C(C)C)N(C)C)C(C)C)n1;WIPZCWHJRZFDAX-YZFYAKCFSA-N;856.19;4.94;145968886;;;CHEMBL4228005;GENER;EPAM;25;0;"<a href=https://www.ebi.ac.uk/chembl/assay_report_card/CHEMBL4220926/  target=_blank>CHEMBL4220926</a>";;;;;;;;;-5.77;;;;;;;;;;;;"Yokosaka S, Izawa A, Sakai C, Sakurada E, Morita Y, Nishio Y.: Synthesis and evaluation of novel dolastatin 10 derivatives for versatile conjugations. Bioorg Med Chem, Volume 26 (8), 2018";ChEMBL
MM474709;MM474709;C=CC(=O)NCCCCC(NC(=O)Cc1ccc(F)cc1)C(=O)N1CCN(c2cccc(C)n2)CC1;ILNDCUSHOUWBMI-QHCPKHFHSA-N;495.6;2.38;145970013;;;CHEMBL4228110;GENER;EPAM;25;0;"<a href=https://www.ebi.ac.uk/chembl/assay_report_card/CHEMBL4223782/  target=_blank>CHEMBL4223782</a>";;;;;;;;;-4.94;;;;;;;;;;;;"Wodtke R, Hauser C, Ruiz-Gómez G, Jäckel E, Bauer D, Lohse M, Wong A, Pufe J, Ludwig FA, Fischer S, Hauser S, Greif D, Pisabarro MT, Pietzsch J, Pietsch M, Löser R.: N<sup>ε</sup>-Acryloyllysine Piperazides as Irreversible Inhibitors of Transglutaminase 2: Synthesis, Structure-Activity Relationships, and Pharmacokinetic Profiling. J Med Chem, Volume 61 (10), 2018";ChEMBL
MM474341;MM474341;Cc1cc(C(=O)NC2CCCCCC=CC3CC3(C(=O)NS(=O)(=O)C3CC3)NC(=O)C3CC(Oc4nc5ccccc5nc4C)CN3C2=O)no1;ROLLVSISWGPMTH-GRIPIFRISA-N;719.82;2.39;145970944;;;CHEMBL4228137;GENER;EPAM;25;0;"<a href=https://www.ebi.ac.uk/chembl/assay_report_card/CHEMBL4219998/  target=_blank>CHEMBL4219998</a>";;;;;;;;;-5.46;;;;;;;;;;;;"DeGoey DA, Chen HJ, Cox PB, Wendt MD.: Beyond the Rule of 5: Lessons Learned from AbbVie's Drugs and Compound Collection. J Med Chem, Volume 61 (7), 2018";ChEMBL
MM474697;MM474697;C=CC(=O)NCCCCC(NC(=O)Cc1ccccc1)C(=O)N1CCN(c2cccc(F)n2)CC1;JPCKSGYJCGBAGG-NRFANRHFSA-N;481.57;2.07;145968648;;;CHEMBL4228168;GENER;EPAM;25;0;"<a href=https://www.ebi.ac.uk/chembl/assay_report_card/CHEMBL4223782/  target=_blank>CHEMBL4223782</a>";;;;;;;;;-4.88;;;;;;;;;;;;"Wodtke R, Hauser C, Ruiz-Gómez G, Jäckel E, Bauer D, Lohse M, Wong A, Pufe J, Ludwig FA, Fischer S, Hauser S, Greif D, Pisabarro MT, Pietzsch J, Pietsch M, Löser R.: N<sup>ε</sup>-Acryloyllysine Piperazides as Irreversible Inhibitors of Transglutaminase 2: Synthesis, Structure-Activity Relationships, and Pharmacokinetic Profiling. J Med Chem, Volume 61 (10), 2018";ChEMBL
MM473581;MM473581;CCC(C)C(C(CC(=O)N1CCCC1C(OC)C(C)C(=O)NC(Cc1ccccc1)c1nc(C(=O)NCCN)cs1)OC)N(C)C(=O)C(NC(=O)C(C(C)C)N(C)C)C(C)C;WYNHYALGRYKQBP-YZFYAKCFSA-N;871.2;3.88;131978896;;;CHEMBL4228268;GENER;EPAM;25;0;"<a href=https://www.ebi.ac.uk/chembl/assay_report_card/CHEMBL4220926/  target=_blank>CHEMBL4220926</a>";;;;;;;;;-7.25;;;;;;;;;;;;"Yokosaka S, Izawa A, Sakai C, Sakurada E, Morita Y, Nishio Y.: Synthesis and evaluation of novel dolastatin 10 derivatives for versatile conjugations. Bioorg Med Chem, Volume 26 (8), 2018";ChEMBL
MM474705;MM474705;C=CC(=O)NCCCCC(NC(=O)Cc1ccccc1)C(=O)N1CCN(Cc2ccc(F)cc2)CC1;RRXFUAUMMDCRBT-VWLOTQADSA-N;494.61;2.67;145968416;;;CHEMBL4228357;GENER;EPAM;25;0;"<a href=https://www.ebi.ac.uk/chembl/assay_report_card/CHEMBL4223782/  target=_blank>CHEMBL4223782</a>";;;;;;;;;-4.99;;;;;;;;;;;;"Wodtke R, Hauser C, Ruiz-Gómez G, Jäckel E, Bauer D, Lohse M, Wong A, Pufe J, Ludwig FA, Fischer S, Hauser S, Greif D, Pisabarro MT, Pietzsch J, Pietsch M, Löser R.: N<sup>ε</sup>-Acryloyllysine Piperazides as Irreversible Inhibitors of Transglutaminase 2: Synthesis, Structure-Activity Relationships, and Pharmacokinetic Profiling. J Med Chem, Volume 61 (10), 2018";ChEMBL
MM472339;MM472339;Cn1nc(C(F)(F)F)cc1C(=O)NC1CCN(C(=O)c2cc(Cl)c3nccnc3c2)CC1c1ccccc1;RULGWHWQJLRHOQ-IEBWSBKVSA-N;542.95;4.46;134278371;;;CHEMBL4228472;GENER;EPAM;25;0;"ph = 6.8, <a href=https://www.ebi.ac.uk/chembl/assay_report_card/CHEMBL4223808/  target=_blank>CHEMBL4223808</a>";;;;;;;;;-4.69;;;;;;;;;;;;"Kojima T, Asano Y, Kurasawa O, Hirata Y, Iwamura N, Wong TT, Saito B, Tanaka Y, Arai R, Yonemori K, Miyamoto Y, Sagiya Y, Yaguchi M, Shibata S, Mizutani A, Sano O, Adachi R, Satomi Y, Hirayama M, Aoyama K, Hiura Y, Kiba A, Kitamura S, Imamura S.: Discovery of novel serine palmitoyltransferase inhibitors as cancer therapeutic agents. Bioorg Med Chem, Volume 26 (9), 2018";ChEMBL
MM474698;MM474698;C=CC(=O)NCCCCC(NC(=O)Cc1ccccc1)C(=O)N1CCN(c2cccc(C(C)(C)C)n2)CC1;ALAZHWIZHNQBFD-DEOSSOPVSA-N;519.69;3.23;145968666;;;CHEMBL4228542;GENER;EPAM;25;0;"<a href=https://www.ebi.ac.uk/chembl/assay_report_card/CHEMBL4223782/  target=_blank>CHEMBL4223782</a>";;;;;;;;;-4.66;;;;;;;;;;;;"Wodtke R, Hauser C, Ruiz-Gómez G, Jäckel E, Bauer D, Lohse M, Wong A, Pufe J, Ludwig FA, Fischer S, Hauser S, Greif D, Pisabarro MT, Pietzsch J, Pietsch M, Löser R.: N<sup>ε</sup>-Acryloyllysine Piperazides as Irreversible Inhibitors of Transglutaminase 2: Synthesis, Structure-Activity Relationships, and Pharmacokinetic Profiling. J Med Chem, Volume 61 (10), 2018";ChEMBL
MM474692;MM474692;CC(=O)NC1(C(=O)NC(C(=O)N2CC(O)CC2C(=O)NCc2ccc(-c3scnc3C)cc2)C(C)(C)C)CC1;SFLOLDSFURSREE-FUPPJEDESA-N;555.7;1.9;129900325;;;CHEMBL4228624;GENER;EPAM;25;0;"<a href=https://www.ebi.ac.uk/chembl/assay_report_card/CHEMBL4219886/  target=_blank>CHEMBL4219886</a>";;;;;;;;;-8;;;;;;;;;;;;"Soares P, Gadd MS, Frost J, Galdeano C, Ellis L, Epemolu O, Rocha S, Read KD, Ciulli A.: Group-Based Optimization of Potent and Cell-Active Inhibitors of the von Hippel-Lindau (VHL) E3 Ubiquitin Ligase: Structure-Activity Relationships Leading to the Chemical Probe (2S,4R)-1-((S)-2-(1-Cyanocyclopropanecarboxamido)-3,3-dimethylbutanoyl)-4-hydroxy-N-(4-(4-methylthiazol-5-yl)benzyl)pyrrolidine-2-carboxamide (VH298). J Med Chem, Volume 61 (2), 2018";ChEMBL
MM473605;MM473605;O=C(Nc1cccc(C(F)(F)F)c1)NC1CCN(C(=O)c2ccccc2)CC1;ASGWCWZMRINVOL-UHFFFAOYSA-N;391.39;4.13;126696386;;;CHEMBL4228632;GENER;EPAM;25;0;"<a href=https://www.ebi.ac.uk/chembl/assay_report_card/CHEMBL4222546/  target=_blank>CHEMBL4222546</a>";;;;;;;;;-3.04;;;;;;;;;;;;"Hammill JT, Scott DC, Min J, Connelly MC, Holbrook G, Zhu F, Matheny A, Yang L, Singh B, Schulman BA, Guy RK.: Piperidinyl Ureas Chemically Control Defective in Cullin Neddylation 1 (DCN1)-Mediated Cullin Neddylation. J Med Chem, Volume 61 (7), 2018";ChEMBL
MM474713;MM474713;C=CC(=O)NCCCC[C@H](NC(=O)c1ccc(F)cc1)C(=O)N1CCN(c2ccc([N+](=O)[O-])nc2)CC1;PTRJUWADDMNXOB-NRFANRHFSA-N;512.54;2.05;;;;;GENER;EPAM;25;+1,-1;"<a href=https://www.ebi.ac.uk/chembl/assay_report_card/CHEMBL4223782/  target=_blank>CHEMBL4223782</a>";;;;;;;;;-5.39;;;;;;;;;;;;"Wodtke R, Hauser C, Ruiz-Gómez G, Jäckel E, Bauer D, Lohse M, Wong A, Pufe J, Ludwig FA, Fischer S, Hauser S, Greif D, Pisabarro MT, Pietzsch J, Pietsch M, Löser R.: N<sup>ε</sup>-Acryloyllysine Piperazides as Irreversible Inhibitors of Transglutaminase 2: Synthesis, Structure-Activity Relationships, and Pharmacokinetic Profiling. J Med Chem, Volume 61 (10), 2018";ChEMBL
MM474712;MM474712;C=CC(=O)NCCCC[C@H](NC(=O)Cc1ccc(F)cc1)C(=O)N1CCN(c2ccc([N+](=O)[O-])nc2)CC1;AXXUUANVZPYKGC-QFIPXVFZSA-N;526.57;1.98;;;;;GENER;EPAM;25;+1,-1;"<a href=https://www.ebi.ac.uk/chembl/assay_report_card/CHEMBL4223782/  target=_blank>CHEMBL4223782</a>";;;;;;;;;-5.71;;;;;;;;;;;;"Wodtke R, Hauser C, Ruiz-Gómez G, Jäckel E, Bauer D, Lohse M, Wong A, Pufe J, Ludwig FA, Fischer S, Hauser S, Greif D, Pisabarro MT, Pietzsch J, Pietsch M, Löser R.: N<sup>ε</sup>-Acryloyllysine Piperazides as Irreversible Inhibitors of Transglutaminase 2: Synthesis, Structure-Activity Relationships, and Pharmacokinetic Profiling. J Med Chem, Volume 61 (10), 2018";ChEMBL
MM473594;MM473594;CC1(C)Cc2c(c(C(=O)Nc3cc(C(F)(F)F)ccc3F)cc3[nH]c(Nc4c(F)cccc4Cl)nc23)O1;DNVUWMRRGUVVRF-UHFFFAOYSA-N;536.89;7.22;86664693;;;CHEMBL4228804;GENER;EPAM;25;0;"<a href=https://www.ebi.ac.uk/chembl/assay_report_card/CHEMBL4221873/  target=_blank>CHEMBL4221873</a>";;;;;;;;;-6.21;;;;;;;;;;;;"Muthukaman N, Deshmukh S, Tambe M, Pisal D, Tondlekar S, Shaikh M, Sarode N, Kattige VG, Sawant P, Pisat M, Karande V, Honnegowda S, Kulkarni A, Behera D, Jadhav SB, Sangana RR, Gudi GS, Khairatkar-Joshi N, Gharat LA.: Alleviating CYP and hERG liabilities by structure optimization of dihydrofuran-fused tricyclic benzo[d]imidazole series - Potent, selective and orally efficacious microsomal prostaglandin E synthase-1 (mPGES-1) inhibitors: Part-2. Bioorg Med Chem Lett, Volume 28 (7), 2018";ChEMBL
MM473580;MM473580;CCOC(=O)c1csc(C(Cc2ccccc2)NC(=O)C(C)C(OC)C2CCCN2C(=O)CC(OC)C(C(C)CC)N(C)C(=O)C(NC(=O)C(C(C)C)N(C)C)C(C)C)n1;NJHDBPREXVBAOP-YZFYAKCFSA-N;857.17;5.37;137456235;;;CHEMBL4228836;GENER;EPAM;25;0;"<a href=https://www.ebi.ac.uk/chembl/assay_report_card/CHEMBL4220926/  target=_blank>CHEMBL4220926</a>";;;;;;;;;-5.49;;;;;;;;;;;;"Yokosaka S, Izawa A, Sakai C, Sakurada E, Morita Y, Nishio Y.: Synthesis and evaluation of novel dolastatin 10 derivatives for versatile conjugations. Bioorg Med Chem, Volume 26 (8), 2018";ChEMBL
MM474714;MM474714;C=CC(=O)NCCCC[C@H](NC(=O)Cc1ccccc1F)C(=O)N1CCN(c2cccc([N+](=O)[O-])n2)CC1;FXSXVAKXKYNKNV-NRFANRHFSA-N;526.57;1.98;;;;;GENER;EPAM;25;+1,-1;"<a href=https://www.ebi.ac.uk/chembl/assay_report_card/CHEMBL4223782/  target=_blank>CHEMBL4223782</a>";;;;;;;;;-5.06;;;;;;;;;;;;"Wodtke R, Hauser C, Ruiz-Gómez G, Jäckel E, Bauer D, Lohse M, Wong A, Pufe J, Ludwig FA, Fischer S, Hauser S, Greif D, Pisabarro MT, Pietzsch J, Pietsch M, Löser R.: N<sup>ε</sup>-Acryloyllysine Piperazides as Irreversible Inhibitors of Transglutaminase 2: Synthesis, Structure-Activity Relationships, and Pharmacokinetic Profiling. J Med Chem, Volume 61 (10), 2018";ChEMBL
MM473577;MM473577;COc1ncc(-c2cc3c(C)nc(NC(C)=O)nc3s2)cc1NS(=O)(=O)c1ccc(F)cc1F;RGNZNWVPZKJPFW-UHFFFAOYSA-N;505.53;4.11;141471198;;;CHEMBL4228946;GENER;EPAM;25;0;"<a href=https://www.ebi.ac.uk/chembl/assay_report_card/CHEMBL4220372/  target=_blank>CHEMBL4220372</a>";;;;;;;;;-5.02;;;;;;;;;;;;"Lin S, Wang C, Ji M, Wu D, Lv Y, Sheng L, Han F, Dong Y, Zhang K, Yang Y, Li Y, Chen X, Xu H.: Discovery of new thienopyrimidine derivatives as potent and orally efficacious phosphoinositide 3-kinase inhibitors. Bioorg Med Chem, Volume 26 (3), 2018";ChEMBL
MM474691;MM474691;CC(=O)C1(C(=O)NC(C(=O)N2CC(O)CC2C(=O)NCc2ccc(-c3scnc3C)cc2)C(C)(C)C)CC1;JNBFSDQPUBSKFV-FUPPJEDESA-N;540.69;2.6;129900324;;;CHEMBL4228950;GENER;EPAM;25;0;"<a href=https://www.ebi.ac.uk/chembl/assay_report_card/CHEMBL4219886/  target=_blank>CHEMBL4219886</a>";;;;;;;;;-5.82;;;;;;;;;;;;"Soares P, Gadd MS, Frost J, Galdeano C, Ellis L, Epemolu O, Rocha S, Read KD, Ciulli A.: Group-Based Optimization of Potent and Cell-Active Inhibitors of the von Hippel-Lindau (VHL) E3 Ubiquitin Ligase: Structure-Activity Relationships Leading to the Chemical Probe (2S,4R)-1-((S)-2-(1-Cyanocyclopropanecarboxamido)-3,3-dimethylbutanoyl)-4-hydroxy-N-(4-(4-methylthiazol-5-yl)benzyl)pyrrolidine-2-carboxamide (VH298). J Med Chem, Volume 61 (2), 2018";ChEMBL
MM473584;MM473584;CCC(C)C(C(CC(=O)N1CCCC1C(OC)C(C)C(=O)NC(Cc1ccccc1)c1nc(C(=O)NCCS)cs1)OC)N(C)C(=O)C(NC(=O)C(C(C)C)N(C)C)C(C)C;VPEWQSXWMMTJAB-YZFYAKCFSA-N;888.26;4.85;131978890;;;CHEMBL4228955;GENER;EPAM;25;0;"<a href=https://www.ebi.ac.uk/chembl/assay_report_card/CHEMBL4220926/  target=_blank>CHEMBL4220926</a>";;;;;;;;;-5.96;;;;;;;;;;;;"Yokosaka S, Izawa A, Sakai C, Sakurada E, Morita Y, Nishio Y.: Synthesis and evaluation of novel dolastatin 10 derivatives for versatile conjugations. Bioorg Med Chem, Volume 26 (8), 2018";ChEMBL
MM473598;MM473598;CC1(C)Cc2c(c(C(=O)Nc3ccc(C(F)(F)F)cn3)cc3[nH]c(Nc4c(Cl)cccc4Cl)nc23)O1;QEIIWOFOFSQYRJ-UHFFFAOYSA-N;536.34;6.99;56970442;;;CHEMBL4229061;GENER;EPAM;25;0;"<a href=https://www.ebi.ac.uk/chembl/assay_report_card/CHEMBL4221873/  target=_blank>CHEMBL4221873</a>";;;;;;;;;-6.2;;;;;;;;;;;;"Muthukaman N, Deshmukh S, Tambe M, Pisal D, Tondlekar S, Shaikh M, Sarode N, Kattige VG, Sawant P, Pisat M, Karande V, Honnegowda S, Kulkarni A, Behera D, Jadhav SB, Sangana RR, Gudi GS, Khairatkar-Joshi N, Gharat LA.: Alleviating CYP and hERG liabilities by structure optimization of dihydrofuran-fused tricyclic benzo[d]imidazole series - Potent, selective and orally efficacious microsomal prostaglandin E synthase-1 (mPGES-1) inhibitors: Part-2. Bioorg Med Chem Lett, Volume 28 (7), 2018";ChEMBL
MM474703;MM474703;C=CC(=O)NCCCCC(NC(=O)Cc1ccccc1)C(=O)N1CCN(c2ccncc2)CC1;NMCYQGLOFWXBDX-QHCPKHFHSA-N;463.58;1.93;145987736;;;CHEMBL4229073;GENER;EPAM;25;0;"<a href=https://www.ebi.ac.uk/chembl/assay_report_card/CHEMBL4223782/  target=_blank>CHEMBL4223782</a>";;;;;;;;;-6.29;;;;;;;;;;;;"Wodtke R, Hauser C, Ruiz-Gómez G, Jäckel E, Bauer D, Lohse M, Wong A, Pufe J, Ludwig FA, Fischer S, Hauser S, Greif D, Pisabarro MT, Pietzsch J, Pietsch M, Löser R.: N<sup>ε</sup>-Acryloyllysine Piperazides as Irreversible Inhibitors of Transglutaminase 2: Synthesis, Structure-Activity Relationships, and Pharmacokinetic Profiling. J Med Chem, Volume 61 (10), 2018";ChEMBL
MM473582;MM473582;CCC(C)C(C(CC(=O)N1CCCC1C(OC)C(C)C(=O)NC(Cc1ccccc1)c1nc(C(=O)NCCNC)cs1)OC)N(C)C(=O)C(NC(=O)C(C(C)C)N(C)C)C(C)C;FONMVICTUGVQMR-FKGFFCKPSA-N;885.23;4.14;131978752;;;CHEMBL4229098;GENER;EPAM;25;0;"<a href=https://www.ebi.ac.uk/chembl/assay_report_card/CHEMBL4220926/  target=_blank>CHEMBL4220926</a>";;;;;;;;;-8.4;;;;;;;;;;;;"Yokosaka S, Izawa A, Sakai C, Sakurada E, Morita Y, Nishio Y.: Synthesis and evaluation of novel dolastatin 10 derivatives for versatile conjugations. Bioorg Med Chem, Volume 26 (8), 2018";ChEMBL
MM474693;MM474693;Cc1ncsc1-c1ccc(CNC(=O)C2CC(O)CN2C(=O)C(NC(=O)C2CCC2)C(C)(C)C)cc1;DKNMIOWXDLCWDG-FUPPJEDESA-N;512.68;3.03;129900326;;;CHEMBL4229211;GENER;EPAM;25;0;"<a href=https://www.ebi.ac.uk/chembl/assay_report_card/CHEMBL4219886/  target=_blank>CHEMBL4219886</a>";;;;;;;;;-5.94;;;;;;;;;;;;"Soares P, Gadd MS, Frost J, Galdeano C, Ellis L, Epemolu O, Rocha S, Read KD, Ciulli A.: Group-Based Optimization of Potent and Cell-Active Inhibitors of the von Hippel-Lindau (VHL) E3 Ubiquitin Ligase: Structure-Activity Relationships Leading to the Chemical Probe (2S,4R)-1-((S)-2-(1-Cyanocyclopropanecarboxamido)-3,3-dimethylbutanoyl)-4-hydroxy-N-(4-(4-methylthiazol-5-yl)benzyl)pyrrolidine-2-carboxamide (VH298). J Med Chem, Volume 61 (2), 2018";ChEMBL
"Salicylic Acid";MM00093;O=C(O)c1ccccc1O;YGSDEFSMJLZEOE-UHFFFAOYSA-N;138.12;1.09;338;DB00936;SAL;CHEMBL424;GENER;EPAM;25;0;"<a href=https://www.ebi.ac.uk/chembl/assay_report_card/CHEMBL3066824/  target=_blank>CHEMBL3066824</a>";;;;;;;;;-5.92;;;;;;;;;;;;"Akamatsu M.: Importance of physicochemical properties for the design of new pesticides. J Agric Food Chem, Volume 59 (7), 2011";ChEMBL
MM474348;MM474348;COc1ccc(-c2ccc(SC3OC(CO)C(O)C(O)C3O)c(C)c2)cn1;KLVGDKOONMJQQH-RBPQIDMKSA-N;393.46;0.96;145985706;;;CHEMBL4240199;GENER;EPAM;25;0;"<a href=https://www.ebi.ac.uk/chembl/assay_report_card/CHEMBL4233910/  target=_blank>CHEMBL4233910</a>";;;;;;;;;-4.92;;;;;;;;;;;;"Sattigeri JA, Garg M, Bhateja P, Soni A, Rauf ARA, Gupta M, Deshmukh MS, Jain T, Alekar N, Barman TK, Jha P, Chaira T, Bambal RB, Upadhyay DJ, Nishi T.: Synthesis and evaluation of thiomannosides, potent and orally active FimH inhibitors. Bioorg Med Chem Lett, Volume 28 (17), 2018";ChEMBL
MM471752;MM471752;Cc1cc(SC(Cc2ccccc2)c2ccc(-c3ccc(C(F)(F)F)cc3)cc2)ccc1OCC(=O)O;NDMVMGJRCVLXQH-UHFFFAOYSA-N;522.59;8.22;;;;;GENER;EPAM;25;0;"ph = 7.4, <a href=https://www.ebi.ac.uk/chembl/assay_report_card/CHEMBL4234953/  target=_blank>CHEMBL4234953</a>";;;;;;;;;-5.02;;;;;;;;;;;;"Kim DS, Lee J, Londhe AM, Kadayat TM, Joo J, Hwang H, Kim KH, Pae AN, Chin J, Cho SJ, Kang H.: Synthesis and evaluation of an orally available ""Y""-shaped biaryl peroxisome proliferator-activated receptor δ agonist. Bioorg Med Chem, Volume 26 (15), 2018";ChEMBL
MM472862;MM472862;CCCc1cc(C(=O)OC)c(NC(=O)C2CCN(C(C)=O)CC2)s1;IHQFYSBFEDCARV-UHFFFAOYSA-N;352.46;2.68;6470019;;;CHEMBL4245882;GENER;EPAM;25;0;"<a href=https://www.ebi.ac.uk/chembl/assay_report_card/CHEMBL4234721/  target=_blank>CHEMBL4234721</a>";;;;;;;;;-4.5;;;;;;;;;;;;"Ozen Z, Dash RC, McCarthy KR, Chow SA, Rizzo AA, Korzhnev DM, Hadden MK.: Small molecule scaffolds that disrupt the Rev1-CT/RIR protein-protein interaction. Bioorg Med Chem, Volume 26 (14), 2018";ChEMBL
MM474715;MM474715;CC(C)CC1NC(=O)C(Cc2c[nH]c3ccccc23)NC(=O)C(CCCN)NC(=O)C(CC(=O)N2CCC(Oc3ccc(OC(F)(F)F)cc3)CC2)NC(=O)C(C(C)C)NC(=O)C(CC(C)C)NC1=O;LWJKUYAPVRJMHJ-VYOQBSBPSA-N;984.13;3.48;145984340;;;CHEMBL4249796;GENER;EPAM;25;0;"<a href=https://www.ebi.ac.uk/chembl/assay_report_card/CHEMBL4234487/  target=_blank>CHEMBL4234487</a>";;;;;;;;;-5.06;;;;;;;;;;;;"Asfaw H, Wetzlar T, Martinez-Martinez MS, Imming P.: An efficient synthetic route for preparation of antimycobacterial wollamides and evaluation of their in vitro and in vivo efficacy. Bioorg Med Chem Lett, Volume 28 (17), 2018";ChEMBL
MM474347;MM474347;COc1ncc(-c2cc(OCC3CCCN(CCC4CCOCC4)C3)c3cnn(C)c3n2)cc1NS(C)(=O)=O;IHEZCWZVYIBFRC-HXUWFJFHSA-N;558.71;3.32;138319687;;;CHEMBL4250271;GENER;EPAM;25;0;"<a href=https://www.ebi.ac.uk/chembl/assay_report_card/CHEMBL4232717/  target=_blank>CHEMBL4232717</a>";;;;;;;;;-4.66;;;;;;;;;;;;"Hamajima T, Takahashi F, Kato K, Sugano Y, Yamaki S, Moritomo A, Kubo S, Nakamura K, Yamagami K, Hamakawa N, Yokoo K, Fukahori H.: Optimization and in vivo evaluation of pyrazolopyridines as a potent and selective PI3Kδ inhibitor. Bioorg Med Chem, Volume 26 (14), 2018";ChEMBL
MM474380;MM474380;COc1ccc(-c2ccc(Sc3cc(=O)n(O)c(=O)[nH]3)cc2)cc1OC;VFQDFESUBBNARZ-UHFFFAOYSA-N;372.4;2.61;;;;;GENER;EPAM;25;0;"<a href=https://www.ebi.ac.uk/chembl/assay_report_card/CHEMBL4273396/  target=_blank>CHEMBL4273396</a>";;;;;;;;;-6.05;;;;;;;;;;;;"Wang L, Tang J, Huber AD, Casey MC, Kirby KA, Wilson DJ, Kankanala J, Xie J, Parniak MA, Sarafianos SG, Wang Z.: 6-Arylthio-3-hydroxypyrimidine-2,4-diones potently inhibited HIV reverse transcriptase-associated RNase H with antiviral activity. Eur J Med Chem, Volume 156, 2018";ChEMBL
MM471759;MM471759;Nc1cccc(C(OCCN2CCCCC2)c2cc3nccc(C(=O)O)c3s2)c1;FTKYSFLMVOPKTH-UHFFFAOYSA-N;411.53;4.17;145985174;;;CHEMBL4276959;GENER;EPAM;25;0;"ph = 7.4, <a href=https://www.ebi.ac.uk/chembl/assay_report_card/CHEMBL4270063/  target=_blank>CHEMBL4270063</a>";;;;;;;;;-4.28;;;;;;;;;;;;"Horton JR, Woodcock CB, Chen Q, Liu X, Zhang X, Shanks J, Rai G, Mott BT, Jansen DJ, Kales SC, Henderson MJ, Cyr M, Pohida K, Hu X, Shah P, Xu X, Jadhav A, Maloney DJ, Hall MD, Simeonov A, Fu H, Vertino PM, Cheng X.: Structure-Based Engineering of Irreversible Inhibitors against Histone Lysine Demethylase KDM5A. J Med Chem, Volume 61 (23), 2018";ChEMBL
MM472869;MM472869;CN(c1ccc(-c2cc3cccnc3cc2O)nn1)C1CC(C)(C)NC(C)(C)C1;NBDLBNPFPBBYKY-UHFFFAOYSA-N;391.52;4.14;136607508;;;CHEMBL4277023;GENER;EPAM;25;0;"<a href=https://www.ebi.ac.uk/chembl/assay_report_card/CHEMBL4260939/  target=_blank>CHEMBL4260939</a>";;;;;;;;;-4.5;;;;;;;;;;;;"Cheung AK, Hurley B, Kerrigan R, Shu L, Chin DN, Shen Y, O'Brien G, Sung MJ, Hou Y, Axford J, Cody E, Sun R, Fazal A, Fridrich C, Sanchez CC, Tomlinson RC, Jain M, Deng L, Hoffmaster K, Song C, Van Hoosear M, Shin Y, Servais R, Towler C, Hild M, Curtis D, Dietrich WF, Hamann LG, Briner K, Chen KS, Kobayashi D, Sivasankaran R, Dales NA.: Discovery of Small Molecule Splicing Modulators of Survival Motor Neuron-2 (SMN2) for the Treatment of Spinal Muscular Atrophy (SMA). J Med Chem, Volume 61 (24), 2018";ChEMBL
MM473617;MM473617;NS(=O)(=O)c1ccc(-c2cnn3cc(-c4ccc(C5CCNCC5)cc4)cnc23)c2ccccc12;MIPSILMPJSYIFB-UHFFFAOYSA-N;483.6;4.33;;;;;GENER;EPAM;25;0;"<a href=https://www.ebi.ac.uk/chembl/assay_report_card/CHEMBL4263980/  target=_blank>CHEMBL4263980</a>";;;;;;;;;-4.1;;;;;;;;;;;;"Jiang JK, Huang X, Shamim K, Patel PR, Lee A, Wang AQ, Nguyen K, Tawa G, Cuny GD, Yu PB, Zheng W, Xu X, Sanderson P, Huang W.: Discovery of 3-(4-sulfamoylnaphthyl)pyrazolo[1,5-a]pyrimidines as potent and selective ALK2 inhibitors. Bioorg Med Chem Lett, Volume 28 (20), 2018";ChEMBL
MM472863;MM472863;CN1CC2(CNC(=O)c3c2[nH]c2c3CCc3cnc(-c4cccc(F)c4)c(F)c3-2)C1;HZYGUYMZIQSDQB-UHFFFAOYSA-N;406.44;3.05;138978963;;;CHEMBL4277929;GENER;EPAM;25;0;"<a href=https://www.ebi.ac.uk/chembl/assay_report_card/CHEMBL4256512/  target=_blank>CHEMBL4256512</a>";;;;;;;;;-4.1;;;;;;;;;;;;"Velcicky J, Schlapbach A, Heng R, Revesz L, Pflieger D, Blum E, Hawtin S, Huppertz C, Feifel R, Hersperger R.: Modulating ADME Properties by Fluorination: MK2 Inhibitors with Improved Oral Exposure. ACS Med Chem Lett, Volume 9 (4), 2018";ChEMBL
MM474368;MM474368;CSc1nc(Nc2cc(O)ccc2Cl)c2cnn(CC(Cl)c3ccccc3)c2n1;OPDQSMNCCLSERS-UHFFFAOYSA-N;446.36;5.63;145982279;;;CHEMBL4277981;GENER;EPAM;25;0;"<a href=https://www.ebi.ac.uk/chembl/assay_report_card/CHEMBL4268759/  target=_blank>CHEMBL4268759</a>";;;;;;;;;-5.49;;;;;;;;;;;;"Molinari A, Fallacara AL, Di Maria S, Zamperini C, Poggialini F, Musumeci F, Schenone S, Angelucci A, Colapietro A, Crespan E, Kissova M, Maga G, Botta M.: Efficient optimization of pyrazolo[3,4-d]pyrimidines derivatives as c-Src kinase inhibitors in neuroblastoma treatment. Bioorg Med Chem Lett, Volume 28 (21), 2018";ChEMBL
MM473619;MM473619;CC(C)(CN1CCCCC1)Oc1ccc(-c2cnc3c(-c4ccc(S(N)(=O)=O)c5ccccc45)cnn3c2)cc1;DAFARWVYCHDMTM-UHFFFAOYSA-N;555.7;5.51;118664795;;;CHEMBL4278219;GENER;EPAM;25;0;"<a href=https://www.ebi.ac.uk/chembl/assay_report_card/CHEMBL4263980/  target=_blank>CHEMBL4263980</a>";;;;;;;;;-2.72;;;;;;;;;;;;"Jiang JK, Huang X, Shamim K, Patel PR, Lee A, Wang AQ, Nguyen K, Tawa G, Cuny GD, Yu PB, Zheng W, Xu X, Sanderson P, Huang W.: Discovery of 3-(4-sulfamoylnaphthyl)pyrazolo[1,5-a]pyrimidines as potent and selective ALK2 inhibitors. Bioorg Med Chem Lett, Volume 28 (20), 2018";ChEMBL
MM474022;MM474022;Cc1ccc(CNS(=O)(=O)C=Cc2ccc(O)c(O)c2)cc1;BVKYTSLAWRDWJO-CMDGGOBGSA-N;319.38;2.5;71769685;;;CHEMBL2414570;BBB;EPAM;25;0;"<a href=https://www.ebi.ac.uk/chembl/assay_report_card/CHEMBL2415138/  target=_blank>CHEMBL2415138</a>";;;;;;;;;-5.17;;;;;;;;;;;;"Ning X, Guo Y, Ma X, Zhu R, Tian C, Zhang Z, Wang X, Ma Z, Liu J.: Design, synthesis and pharmacological evaluation of (E)-3,4-dihydroxy styryl sulfonamides derivatives as multifunctional neuroprotective agents against oxidative and inflammatory injury. Bioorg Med Chem, Volume 21 (17), 2013";ChEMBL
MM474367;MM474367;CSc1nc(Nc2cc(O)ccc2Cl)c2cnn(CC(C)c3ccccc3)c2n1;WMAZRAKOIJGGJC-UHFFFAOYSA-N;425.95;5.45;145981153;;;CHEMBL4278410;GENER;EPAM;25;0;"<a href=https://www.ebi.ac.uk/chembl/assay_report_card/CHEMBL4268759/  target=_blank>CHEMBL4268759</a>";;;;;;;;;-5.08;;;;;;;;;;;;"Molinari A, Fallacara AL, Di Maria S, Zamperini C, Poggialini F, Musumeci F, Schenone S, Angelucci A, Colapietro A, Crespan E, Kissova M, Maga G, Botta M.: Efficient optimization of pyrazolo[3,4-d]pyrimidines derivatives as c-Src kinase inhibitors in neuroblastoma treatment. Bioorg Med Chem Lett, Volume 28 (21), 2018";ChEMBL
MM474021;MM474021;COc1ccc(CNS(=O)(=O)C=Cc2ccc(O)c(O)c2)cc1;BKXNNBSQSVMOLR-CMDGGOBGSA-N;335.38;2.2;71769686;;;CHEMBL2414571;BBB;EPAM;25;0;"<a href=https://www.ebi.ac.uk/chembl/assay_report_card/CHEMBL2415138/  target=_blank>CHEMBL2415138</a>";;;;;;;;;-5.33;;;;;;;;;;;;"Ning X, Guo Y, Ma X, Zhu R, Tian C, Zhang Z, Wang X, Ma Z, Liu J.: Design, synthesis and pharmacological evaluation of (E)-3,4-dihydroxy styryl sulfonamides derivatives as multifunctional neuroprotective agents against oxidative and inflammatory injury. Bioorg Med Chem, Volume 21 (17), 2013";ChEMBL
MM471753;MM471753;O=C(O)C(Cc1c[nH]c2ccccc12)N(Cc1ccccc1)Cc1ccccc1;KWVIYTNTSHGWBK-DEOSSOPVSA-N;384.48;4.87;57130011;;;CHEMBL4279001;GENER;EPAM;25;0;"ph = 7.4, <a href=https://www.ebi.ac.uk/chembl/assay_report_card/CHEMBL4256799/  target=_blank>CHEMBL4256799</a>";;;;;;;;;-5.5;;;;;;;;;;;;"Bertamino A, Iraci N, Ostacolo C, Ambrosino P, Musella S, Di Sarno V, Ciaglia T, Pepe G, Sala M, Soldovieri MV, Mosca I, Gonzalez-Rodriguez S, Fernandez-Carvajal A, Ferrer-Montiel A, Novellino E, Taglialatela M, Campiglia P, Gomez-Monterrey I.: Identification of a Potent Tryptophan-Based TRPM8 Antagonist With in Vivo Analgesic Activity. J Med Chem, Volume 61 (14), 2018";ChEMBL
MM472870;MM472870;CN(c1ccc(-c2cc3cnccc3cc2O)nn1)C1CC(C)(C)NC(C)(C)C1;UISGQKNCYSNSMB-UHFFFAOYSA-N;391.52;4.14;136607554;;;CHEMBL4279018;GENER;EPAM;25;0;"<a href=https://www.ebi.ac.uk/chembl/assay_report_card/CHEMBL4260939/  target=_blank>CHEMBL4260939</a>";;;;;;;;;-4.3;;;;;;;;;;;;"Cheung AK, Hurley B, Kerrigan R, Shu L, Chin DN, Shen Y, O'Brien G, Sung MJ, Hou Y, Axford J, Cody E, Sun R, Fazal A, Fridrich C, Sanchez CC, Tomlinson RC, Jain M, Deng L, Hoffmaster K, Song C, Van Hoosear M, Shin Y, Servais R, Towler C, Hild M, Curtis D, Dietrich WF, Hamann LG, Briner K, Chen KS, Kobayashi D, Sivasankaran R, Dales NA.: Discovery of Small Molecule Splicing Modulators of Survival Motor Neuron-2 (SMN2) for the Treatment of Spinal Muscular Atrophy (SMA). J Med Chem, Volume 61 (24), 2018";ChEMBL
MM474020;MM474020;O=S(=O)(C=Cc1ccc(O)c(O)c1)NCCc1ccc(Cl)cc1;FZOOOCJWEHZXKQ-CSKARUKUSA-N;353.83;2.88;71769687;;;CHEMBL2414572;BBB;EPAM;25;0;"<a href=https://www.ebi.ac.uk/chembl/assay_report_card/CHEMBL2415138/  target=_blank>CHEMBL2415138</a>";;;;;;;;;-5.47;;;;;;;;;;;;"Ning X, Guo Y, Ma X, Zhu R, Tian C, Zhang Z, Wang X, Ma Z, Liu J.: Design, synthesis and pharmacological evaluation of (E)-3,4-dihydroxy styryl sulfonamides derivatives as multifunctional neuroprotective agents against oxidative and inflammatory injury. Bioorg Med Chem, Volume 21 (17), 2013";ChEMBL
MM474019;MM474019;CN(CCc1ccccc1)S(=O)(=O)C=Cc1ccc(O)c(O)c1;SWKRFPNPRZJQAP-ZRDIBKRKSA-N;333.41;2.57;71769688;;;CHEMBL2414573;BBB;EPAM;25;0;"<a href=https://www.ebi.ac.uk/chembl/assay_report_card/CHEMBL2415138/  target=_blank>CHEMBL2415138</a>";;;;;;;;;-5.32;;;;;;;;;;;;"Ning X, Guo Y, Ma X, Zhu R, Tian C, Zhang Z, Wang X, Ma Z, Liu J.: Design, synthesis and pharmacological evaluation of (E)-3,4-dihydroxy styryl sulfonamides derivatives as multifunctional neuroprotective agents against oxidative and inflammatory injury. Bioorg Med Chem, Volume 21 (17), 2013";ChEMBL
MM473615;MM473615;CN(C)CCOc1ccc(-c2cnc3c(-c4ccc(S(N)(=O)=O)c5ccccc45)cnn3c2)cn1;NEWWJMLDJTYMCU-UHFFFAOYSA-N;488.57;3.2;118664997;;;CHEMBL4279135;GENER;EPAM;25;0;"<a href=https://www.ebi.ac.uk/chembl/assay_report_card/CHEMBL4263980/  target=_blank>CHEMBL4263980</a>";;;;;;;;;-5.06;;;;;;;;;;;;"Jiang JK, Huang X, Shamim K, Patel PR, Lee A, Wang AQ, Nguyen K, Tawa G, Cuny GD, Yu PB, Zheng W, Xu X, Sanderson P, Huang W.: Discovery of 3-(4-sulfamoylnaphthyl)pyrazolo[1,5-a]pyrimidines as potent and selective ALK2 inhibitors. Bioorg Med Chem Lett, Volume 28 (20), 2018";ChEMBL
MM472874;MM472874;CC1(C)CC(Cc2ccc(-c3ccc(-c4cn[nH]c4)cc3O)nn2)CC(C)(C)N1;SJIRMWMHWILMPD-UHFFFAOYSA-N;391.52;4.34;136598251;;;CHEMBL4279463;GENER;EPAM;25;0;"<a href=https://www.ebi.ac.uk/chembl/assay_report_card/CHEMBL4260939/  target=_blank>CHEMBL4260939</a>";;;;;;;;;-5.3;;;;;;;;;;;;"Cheung AK, Hurley B, Kerrigan R, Shu L, Chin DN, Shen Y, O'Brien G, Sung MJ, Hou Y, Axford J, Cody E, Sun R, Fazal A, Fridrich C, Sanchez CC, Tomlinson RC, Jain M, Deng L, Hoffmaster K, Song C, Van Hoosear M, Shin Y, Servais R, Towler C, Hild M, Curtis D, Dietrich WF, Hamann LG, Briner K, Chen KS, Kobayashi D, Sivasankaran R, Dales NA.: Discovery of Small Molecule Splicing Modulators of Survival Motor Neuron-2 (SMN2) for the Treatment of Spinal Muscular Atrophy (SMA). J Med Chem, Volume 61 (24), 2018";ChEMBL
MM474017;MM474017;CC(=O)Oc1ccc(C=CS(=O)(=O)NCc2ccccc2)cc1OC(C)=O;KGQIYLMKIDIKIJ-ZHACJKMWSA-N;389.43;2.63;71769689;;;CHEMBL2414574;BBB;EPAM;25;0;"<a href=https://www.ebi.ac.uk/chembl/assay_report_card/CHEMBL2415138/  target=_blank>CHEMBL2415138</a>";;;;;;;;;-4.82;;;;;;;;;;;;"Ning X, Guo Y, Ma X, Zhu R, Tian C, Zhang Z, Wang X, Ma Z, Liu J.: Design, synthesis and pharmacological evaluation of (E)-3,4-dihydroxy styryl sulfonamides derivatives as multifunctional neuroprotective agents against oxidative and inflammatory injury. Bioorg Med Chem, Volume 21 (17), 2013";ChEMBL
MM471757;MM471757;COc1cc2c(N3CCNCC3)nc(N(C)C)nc2cc1OCCCN1CCCC1;UNBYGYCNSFZBGG-UHFFFAOYSA-N;414.55;1.98;;;;;GENER;EPAM;25;0;"ph = 7.4, <a href=https://www.ebi.ac.uk/chembl/assay_report_card/CHEMBL4269092/  target=_blank>CHEMBL4269092</a>";;;;;;;;;-5.37;;;;;;;;;;;;"Paul B, Rahaman O, Roy S, Pal S, Satish S, Mukherjee A, Ghosh AR, Raychaudhuri D, Bhattacharya R, Goon S, Ganguly D, Talukdar A.: Activity-guided development of potent and selective toll-like receptor 9 antagonists. Eur J Med Chem, Volume 159, 2018";ChEMBL
MM474016;MM474016;CC(=O)Oc1ccc(C=CS(=O)(=O)NCCc2ccccc2)cc1OC(C)=O;KTOMLOVLHBKWDK-ACCUITESSA-N;403.46;2.67;71769818;;;CHEMBL2414575;BBB;EPAM;25;0;"<a href=https://www.ebi.ac.uk/chembl/assay_report_card/CHEMBL2415138/  target=_blank>CHEMBL2415138</a>";;;;;;;;;-5;;;;;;;;;;;;"Ning X, Guo Y, Ma X, Zhu R, Tian C, Zhang Z, Wang X, Ma Z, Liu J.: Design, synthesis and pharmacological evaluation of (E)-3,4-dihydroxy styryl sulfonamides derivatives as multifunctional neuroprotective agents against oxidative and inflammatory injury. Bioorg Med Chem, Volume 21 (17), 2013";ChEMBL
MM474015;MM474015;CC(=O)Oc1ccc(C=CS(=O)(=O)NCc2ccc(Cl)cc2)cc1OC(C)=O;QKNVKOBUWXTTDX-MDZDMXLPSA-N;423.87;3.28;71769821;;;CHEMBL2414578;BBB;EPAM;25;0;"<a href=https://www.ebi.ac.uk/chembl/assay_report_card/CHEMBL2415138/  target=_blank>CHEMBL2415138</a>";;;;;;;;;-5.29;;;;;;;;;;;;"Ning X, Guo Y, Ma X, Zhu R, Tian C, Zhang Z, Wang X, Ma Z, Liu J.: Design, synthesis and pharmacological evaluation of (E)-3,4-dihydroxy styryl sulfonamides derivatives as multifunctional neuroprotective agents against oxidative and inflammatory injury. Bioorg Med Chem, Volume 21 (17), 2013";ChEMBL
MM474378;MM474378;O=c1cc(Sc2ccc([N+](=O)[O-])cc2)[nH]c(=O)n1O;NSSZWPLGRDZACV-UHFFFAOYSA-N;281.25;0.83;;;;;GENER;EPAM;25;+1,-1;"<a href=https://www.ebi.ac.uk/chembl/assay_report_card/CHEMBL4273396/  target=_blank>CHEMBL4273396</a>";;;;;;;;;-7.49;;;;;;;;;;;;"Wang L, Tang J, Huber AD, Casey MC, Kirby KA, Wilson DJ, Kankanala J, Xie J, Parniak MA, Sarafianos SG, Wang Z.: 6-Arylthio-3-hydroxypyrimidine-2,4-diones potently inhibited HIV reverse transcriptase-associated RNase H with antiviral activity. Eur J Med Chem, Volume 156, 2018";ChEMBL
MM474014;MM474014;CC(=O)Oc1ccc(C=CS(=O)(=O)NCc2ccc(F)cc2)cc1OC(C)=O;OVDJTOIUQDSWCZ-MDZDMXLPSA-N;407.42;2.77;71769823;;;CHEMBL2414580;BBB;EPAM;25;0;"<a href=https://www.ebi.ac.uk/chembl/assay_report_card/CHEMBL2415138/  target=_blank>CHEMBL2415138</a>";;;;;;;;;-5.12;;;;;;;;;;;;"Ning X, Guo Y, Ma X, Zhu R, Tian C, Zhang Z, Wang X, Ma Z, Liu J.: Design, synthesis and pharmacological evaluation of (E)-3,4-dihydroxy styryl sulfonamides derivatives as multifunctional neuroprotective agents against oxidative and inflammatory injury. Bioorg Med Chem, Volume 21 (17), 2013";ChEMBL
MM473614;MM473614;NS(=O)(=O)c1ccc(-c2cnn3cc(-c4ccc(N5CCNCC5)nc4)cnc23)c2ccccc12;XFJVPVBSVAEFDT-UHFFFAOYSA-N;485.57;2.67;118664846;;;CHEMBL4280585;GENER;EPAM;25;0;"<a href=https://www.ebi.ac.uk/chembl/assay_report_card/CHEMBL4263980/  target=_blank>CHEMBL4263980</a>";;;;;;;;;-5.08;;;;;;;;;;;;"Jiang JK, Huang X, Shamim K, Patel PR, Lee A, Wang AQ, Nguyen K, Tawa G, Cuny GD, Yu PB, Zheng W, Xu X, Sanderson P, Huang W.: Discovery of 3-(4-sulfamoylnaphthyl)pyrazolo[1,5-a]pyrimidines as potent and selective ALK2 inhibitors. Bioorg Med Chem Lett, Volume 28 (20), 2018";ChEMBL
MM471755;MM471755;COc1cc2c(N3CCN(C)CC3)nc(N(C)C)nc2cc1OC1CCCC1;;385.51;2.78;;;;CHEMBL4280997;GENER;EPAM;25;0;"ph = 5.5, <a href=https://www.ebi.ac.uk/chembl/assay_report_card/CHEMBL4269093/  target=_blank>CHEMBL4269093</a>";;;;;;;;;-4.17;;;;;;;;;;;;"Paul B, Rahaman O, Roy S, Pal S, Satish S, Mukherjee A, Ghosh AR, Raychaudhuri D, Bhattacharya R, Goon S, Ganguly D, Talukdar A.: Activity-guided development of potent and selective toll-like receptor 9 antagonists. Eur J Med Chem, Volume 159, 2018";ChEMBL
MM474013;MM474013;CC(=O)Oc1ccc(C=CS(=O)(=O)NCc2ccc(C)cc2)cc1OC(C)=O;CEUPBNKNAUORIP-ZHACJKMWSA-N;403.46;2.94;71769940;;;CHEMBL2414581;BBB;EPAM;25;0;"<a href=https://www.ebi.ac.uk/chembl/assay_report_card/CHEMBL2415138/  target=_blank>CHEMBL2415138</a>";;;;;;;;;-5.07;;;;;;;;;;;;"Ning X, Guo Y, Ma X, Zhu R, Tian C, Zhang Z, Wang X, Ma Z, Liu J.: Design, synthesis and pharmacological evaluation of (E)-3,4-dihydroxy styryl sulfonamides derivatives as multifunctional neuroprotective agents against oxidative and inflammatory injury. Bioorg Med Chem, Volume 21 (17), 2013";ChEMBL
MM471755;MM471755;COc1cc2c(N3CCN(C)CC3)nc(N(C)C)nc2cc1OC1CCCC1;;385.51;2.78;;;;CHEMBL4280997;GENER;EPAM;25;0;"ph = 7.4, <a href=https://www.ebi.ac.uk/chembl/assay_report_card/CHEMBL4269092/  target=_blank>CHEMBL4269092</a>";;;;;;;;;-4.75;;;;;;;;;;;;"Paul B, Rahaman O, Roy S, Pal S, Satish S, Mukherjee A, Ghosh AR, Raychaudhuri D, Bhattacharya R, Goon S, Ganguly D, Talukdar A.: Activity-guided development of potent and selective toll-like receptor 9 antagonists. Eur J Med Chem, Volume 159, 2018";ChEMBL
MM474012;MM474012;COc1ccc(CNS(=O)(=O)C=Cc2ccc(OC(C)=O)c(OC(C)=O)c2)cc1;JWZOXWFAANGWOY-ZHACJKMWSA-N;419.46;2.64;71769941;;;CHEMBL2414582;BBB;EPAM;25;0;"<a href=https://www.ebi.ac.uk/chembl/assay_report_card/CHEMBL2415138/  target=_blank>CHEMBL2415138</a>";;;;;;;;;-4.94;;;;;;;;;;;;"Ning X, Guo Y, Ma X, Zhu R, Tian C, Zhang Z, Wang X, Ma Z, Liu J.: Design, synthesis and pharmacological evaluation of (E)-3,4-dihydroxy styryl sulfonamides derivatives as multifunctional neuroprotective agents against oxidative and inflammatory injury. Bioorg Med Chem, Volume 21 (17), 2013";ChEMBL
MM473623;MM473623;NS(=O)(=O)c1ccc(-c2cnn3cc(-c4ccc(CN5CCCC5)cc4)cnc23)c2ccccc12;XWGDXVQVFWLJTN-UHFFFAOYSA-N;483.6;4.46;118664891;;;CHEMBL4281166;GENER;EPAM;25;0;"<a href=https://www.ebi.ac.uk/chembl/assay_report_card/CHEMBL4263980/  target=_blank>CHEMBL4263980</a>";;;;;;;;;-3.33;;;;;;;;;;;;"Jiang JK, Huang X, Shamim K, Patel PR, Lee A, Wang AQ, Nguyen K, Tawa G, Cuny GD, Yu PB, Zheng W, Xu X, Sanderson P, Huang W.: Discovery of 3-(4-sulfamoylnaphthyl)pyrazolo[1,5-a]pyrimidines as potent and selective ALK2 inhibitors. Bioorg Med Chem Lett, Volume 28 (20), 2018";ChEMBL
MM474718;MM474718;COc1ccc(-c2nc(C)ccc2OCc2cc(C)ccn2)cc1;FMOCTBWTIGZFKK-UHFFFAOYSA-N;320.39;4.35;145981987;;;CHEMBL4281815;GENER;EPAM;25;0;"<a href=https://www.ebi.ac.uk/chembl/assay_report_card/CHEMBL4268687/  target=_blank>CHEMBL4268687</a>";;;;;;;;;-4.48;;;;;;;;;;;;"Barker MD, Liddle J, Atkinson FL, Wilson DM, Dickson MC, Ramirez-Molina C, Lewis H, Davis RP, Somers DO, Neu M, Jones E, Watson R.: Discovery of potent and selective Spleen Tyrosine Kinase inhibitors for the topical treatment of inflammatory skin disease. Bioorg Med Chem Lett, Volume 28 (21), 2018";ChEMBL
MM474374;MM474374;Oc1cccc(Nc2nc(SCCN3CCOCC3)nc3c2cnn3CC(Cl)c2ccccc2)c1;IEYDYHPFPKSECG-UHFFFAOYSA-N;511.05;4.68;145980898;;;CHEMBL4283149;GENER;EPAM;25;0;"<a href=https://www.ebi.ac.uk/chembl/assay_report_card/CHEMBL4268759/  target=_blank>CHEMBL4268759</a>";;;;;;;;;-5.35;;;;;;;;;;;;"Molinari A, Fallacara AL, Di Maria S, Zamperini C, Poggialini F, Musumeci F, Schenone S, Angelucci A, Colapietro A, Crespan E, Kissova M, Maga G, Botta M.: Efficient optimization of pyrazolo[3,4-d]pyrimidines derivatives as c-Src kinase inhibitors in neuroblastoma treatment. Bioorg Med Chem Lett, Volume 28 (21), 2018";ChEMBL
MM473622;MM473622;CC(C)(N)c1ccc(-c2cnc3c(-c4ccc(S(N)(=O)=O)c5ccccc45)cnn3c2)cc1;AUMUDSIJXFAGAL-UHFFFAOYSA-N;457.56;4.06;118664858;;;CHEMBL4283315;GENER;EPAM;25;0;"<a href=https://www.ebi.ac.uk/chembl/assay_report_card/CHEMBL4263980/  target=_blank>CHEMBL4263980</a>";;;;;;;;;-5.03;;;;;;;;;;;;"Jiang JK, Huang X, Shamim K, Patel PR, Lee A, Wang AQ, Nguyen K, Tawa G, Cuny GD, Yu PB, Zheng W, Xu X, Sanderson P, Huang W.: Discovery of 3-(4-sulfamoylnaphthyl)pyrazolo[1,5-a]pyrimidines as potent and selective ALK2 inhibitors. Bioorg Med Chem Lett, Volume 28 (20), 2018";ChEMBL
MM472873;MM472873;CN(c1ccc(-c2ccc(-c3cn[nH]c3)cc2O)nn1)C1CC(C)(C)NC(C)(C)C1;XSBJQWNBBMWICJ-UHFFFAOYSA-N;406.53;3.98;136598218;;;CHEMBL4283367;GENER;EPAM;25;0;"<a href=https://www.ebi.ac.uk/chembl/assay_report_card/CHEMBL4260939/  target=_blank>CHEMBL4260939</a>";;;;;;;;;-5.4;;;;;;;;;;;;"Cheung AK, Hurley B, Kerrigan R, Shu L, Chin DN, Shen Y, O'Brien G, Sung MJ, Hou Y, Axford J, Cody E, Sun R, Fazal A, Fridrich C, Sanchez CC, Tomlinson RC, Jain M, Deng L, Hoffmaster K, Song C, Van Hoosear M, Shin Y, Servais R, Towler C, Hild M, Curtis D, Dietrich WF, Hamann LG, Briner K, Chen KS, Kobayashi D, Sivasankaran R, Dales NA.: Discovery of Small Molecule Splicing Modulators of Survival Motor Neuron-2 (SMN2) for the Treatment of Spinal Muscular Atrophy (SMA). J Med Chem, Volume 61 (24), 2018";ChEMBL
MM474372;MM474372;OCCNc1nc(Nc2cc(O)ccc2Cl)c2cnn(CC(Cl)c3ccccc3)c2n1;BSXZBINSNZUPHA-UHFFFAOYSA-N;459.34;4.31;145990977;;;CHEMBL4283564;GENER;EPAM;25;0;"<a href=https://www.ebi.ac.uk/chembl/assay_report_card/CHEMBL4268759/  target=_blank>CHEMBL4268759</a>";;;;;;;;;-5.57;;;;;;;;;;;;"Molinari A, Fallacara AL, Di Maria S, Zamperini C, Poggialini F, Musumeci F, Schenone S, Angelucci A, Colapietro A, Crespan E, Kissova M, Maga G, Botta M.: Efficient optimization of pyrazolo[3,4-d]pyrimidines derivatives as c-Src kinase inhibitors in neuroblastoma treatment. Bioorg Med Chem Lett, Volume 28 (21), 2018";ChEMBL
MM473624;MM473624;CC(c1ccc(-c2cnc3c(-c4ccc(S(N)(=O)=O)c5ccccc45)cnn3c2)cc1)N1CCCC1;IPESYYFOXATSFJ-UHFFFAOYSA-N;497.62;5.02;138454752;;;CHEMBL4283638;GENER;EPAM;25;0;"<a href=https://www.ebi.ac.uk/chembl/assay_report_card/CHEMBL4263980/  target=_blank>CHEMBL4263980</a>";;;;;;;;;-2.95;;;;;;;;;;;;"Jiang JK, Huang X, Shamim K, Patel PR, Lee A, Wang AQ, Nguyen K, Tawa G, Cuny GD, Yu PB, Zheng W, Xu X, Sanderson P, Huang W.: Discovery of 3-(4-sulfamoylnaphthyl)pyrazolo[1,5-a]pyrimidines as potent and selective ALK2 inhibitors. Bioorg Med Chem Lett, Volume 28 (20), 2018";ChEMBL
MM473242;MM473242;C[C@]12CCC(=O)C=C1CC[C@@H]1[C@@H]2CC[C@@]2(C)[C@H]1CC[C@]2(O)C(=O)CO;WHBHBVVOGNECLV-OBQKJFGGSA-N;346.47;2.81;;;;;BBB;EPAM;25;0;"<a href=https://www.ebi.ac.uk/chembl/assay_report_card/CHEMBL3412995/  target=_blank>CHEMBL3412995</a>";;;;;;;;;-5.6;;;;;;;;;;;;"Xie SS, Lan JS, Wang XB, Jiang N, Dong G, Li ZR, Wang KD, Guo PP, Kong LY.: Multifunctional tacrine-trolox hybrids for the treatment of Alzheimer's disease with cholinergic, antioxidant, neuroprotective and hepatoprotective properties. Eur J Med Chem, Volume 93, 2015";ChEMBL
MM471464;MM471464;CCCCCCc1ccc(C(=O)CCN(C2CCCCC2)C2CCCCC2)cc1;FHPXVWCDHBUVJE-UHFFFAOYSA-N;397.65;7.35;23635366;;;CHEMBL428375;GENER;EPAM;25;0;"ph = 7.4, <a href=https://www.ebi.ac.uk/chembl/assay_report_card/CHEMBL900775/  target=_blank>CHEMBL900775</a>";;;;;;;;;-3.98;;;;;;;;;;;;"Arnold LA, Kosinski A, Estébanez-Perpiñá E, Fletterick RJ, Guy RK.: Inhibitors of the interaction of a thyroid hormone receptor and coactivators: preliminary structure-activity relationships. J Med Chem, Volume 50 (22), 2007";ChEMBL
MM471758;MM471758;COc1cc2c(N3CCN(C)CC3)nc(N(C)C)nc2cc1OCCCN1CCCC1;FJZXZNPHKBHVRG-UHFFFAOYSA-N;428.58;2.32;;;;;GENER;EPAM;25;0;"ph = 7.4, <a href=https://www.ebi.ac.uk/chembl/assay_report_card/CHEMBL4269092/  target=_blank>CHEMBL4269092</a>";;;;;;;;;-4.82;;;;;;;;;;;;"Paul B, Rahaman O, Roy S, Pal S, Satish S, Mukherjee A, Ghosh AR, Raychaudhuri D, Bhattacharya R, Goon S, Ganguly D, Talukdar A.: Activity-guided development of potent and selective toll-like receptor 9 antagonists. Eur J Med Chem, Volume 159, 2018";ChEMBL
MM473618;MM473618;NS(=O)(=O)c1ccc(-c2cnn3cc(-c4ccc(OCCN5CCCCC5)cc4)cnc23)c2ccccc12;ZFWFUCVUVAVKEL-UHFFFAOYSA-N;527.65;4.73;118664628;;;CHEMBL4285523;GENER;EPAM;25;0;"<a href=https://www.ebi.ac.uk/chembl/assay_report_card/CHEMBL4263980/  target=_blank>CHEMBL4263980</a>";;;;;;;;;-3.32;;;;;;;;;;;;"Jiang JK, Huang X, Shamim K, Patel PR, Lee A, Wang AQ, Nguyen K, Tawa G, Cuny GD, Yu PB, Zheng W, Xu X, Sanderson P, Huang W.: Discovery of 3-(4-sulfamoylnaphthyl)pyrazolo[1,5-a]pyrimidines as potent and selective ALK2 inhibitors. Bioorg Med Chem Lett, Volume 28 (20), 2018";ChEMBL
MM474366;MM474366;Oc1ccc(Cl)c(Nc2ncnc3c2cnn3CC(Cl)c2ccccc2)c1;VVZUXGYMJIQUBC-UHFFFAOYSA-N;400.27;4.91;145991326;;;CHEMBL4286320;GENER;EPAM;25;0;"<a href=https://www.ebi.ac.uk/chembl/assay_report_card/CHEMBL4268759/  target=_blank>CHEMBL4268759</a>";;;;;;;;;-5.36;;;;;;;;;;;;"Molinari A, Fallacara AL, Di Maria S, Zamperini C, Poggialini F, Musumeci F, Schenone S, Angelucci A, Colapietro A, Crespan E, Kissova M, Maga G, Botta M.: Efficient optimization of pyrazolo[3,4-d]pyrimidines derivatives as c-Src kinase inhibitors in neuroblastoma treatment. Bioorg Med Chem Lett, Volume 28 (21), 2018";ChEMBL
MM474722;MM474722;Nc1cc(C(F)F)c(-c2nc(N3C4CCC3COC4)nc(N3C4CCC3COC4)n2)cn1;UGDKPWVVBKHRDK-UHFFFAOYSA-N;445.47;2.19;121334520;;;CHEMBL4286698;GENER;EPAM;25;0;"<a href=https://www.ebi.ac.uk/chembl/assay_report_card/CHEMBL4276466/  target=_blank>CHEMBL4276466</a>";;;;;;;;;-5.28;;;;;;;;;;;;"Rageot D, Bohnacker T, Melone A, Langlois JB, Borsari C, Hillmann P, Sele AM, Beaufils F, Zvelebil M, Hebeisen P, Löscher W, Burke J, Fabbro D, Wymann MP.: Discovery and Preclinical Characterization of 5-[4,6-Bis({3-oxa-8-azabicyclo[3.2.1]octan-8-yl})-1,3,5-triazin-2-yl]-4-(difluoromethyl)pyridin-2-amine (PQR620), a Highly Potent and Selective mTORC1/2 Inhibitor for Cancer and Neurological Disorders. J Med Chem, Volume 61 (22), 2018";ChEMBL
MM474716;MM474716;CN1CCC(c2nc(-c3ccc(F)c(NS(C)(=O)=O)c3)c(-c3ccnc(NCC4CC4)n3)s2)CC1;LIGMPEYLZKWWSR-UHFFFAOYSA-N;516.67;4.41;145991807;;;CHEMBL4286841;GENER;EPAM;25;0;"<a href=https://www.ebi.ac.uk/chembl/assay_report_card/CHEMBL4267046/  target=_blank>CHEMBL4267046</a>";;;;;;;;;-5.24;;;;;;;;;;;;"Tsagris DJ, Birchall K, Bouloc N, Large JM, Merritt A, Smiljanic-Hurley E, Wheldon M, Ansell KH, Kettleborough C, Whalley D, Stewart LB, Bowyer PW, Baker DA, Osborne SA.: Trisubstituted thiazoles as potent and selective inhibitors of Plasmodium falciparum protein kinase G (PfPKG). Bioorg Med Chem Lett, Volume 28 (19), 2018";ChEMBL
MM474370;MM474370;Oc1ccc(Cl)c(Nc2nc(SCCN3CCOCC3)nc3c2cnn3CC(Cl)c2ccccc2)c1;UIJQBIDJNBKOKC-UHFFFAOYSA-N;545.5;5.33;145992041;;;CHEMBL4286927;GENER;EPAM;25;0;"<a href=https://www.ebi.ac.uk/chembl/assay_report_card/CHEMBL4268759/  target=_blank>CHEMBL4268759</a>";;;;;;;;;-5.01;;;;;;;;;;;;"Molinari A, Fallacara AL, Di Maria S, Zamperini C, Poggialini F, Musumeci F, Schenone S, Angelucci A, Colapietro A, Crespan E, Kissova M, Maga G, Botta M.: Efficient optimization of pyrazolo[3,4-d]pyrimidines derivatives as c-Src kinase inhibitors in neuroblastoma treatment. Bioorg Med Chem Lett, Volume 28 (21), 2018";ChEMBL
MM472871;MM472871;CN(c1ccc(-c2ccc(-n3ccc(N)n3)cc2O)nn1)C1CC(C)(C)NC(C)(C)C1;IUQMBINWIGHFMS-UHFFFAOYSA-N;421.55;3.36;136377142;;;CHEMBL4286948;GENER;EPAM;25;0;"<a href=https://www.ebi.ac.uk/chembl/assay_report_card/CHEMBL4260939/  target=_blank>CHEMBL4260939</a>";;;;;;;;;-5.2;;;;;;;;;;;;"Cheung AK, Hurley B, Kerrigan R, Shu L, Chin DN, Shen Y, O'Brien G, Sung MJ, Hou Y, Axford J, Cody E, Sun R, Fazal A, Fridrich C, Sanchez CC, Tomlinson RC, Jain M, Deng L, Hoffmaster K, Song C, Van Hoosear M, Shin Y, Servais R, Towler C, Hild M, Curtis D, Dietrich WF, Hamann LG, Briner K, Chen KS, Kobayashi D, Sivasankaran R, Dales NA.: Discovery of Small Molecule Splicing Modulators of Survival Motor Neuron-2 (SMN2) for the Treatment of Spinal Muscular Atrophy (SMA). J Med Chem, Volume 61 (24), 2018";ChEMBL
MM472010;MM472010;Cc1cc(O)c([C@@H]2O[C@H](CO)[C@@H](O)[C@H](O)[C@H]2O)cc1Cc1ccc(CCNC(=O)NC(CO)(CO)CO)cc1;CSTNPWDBBVIJSR-RXFVIIJJSA-N;550.61;-1.64;;;;;GENER;EPAM;25;0;"ph = 7.4, <a href=https://www.ebi.ac.uk/chembl/assay_report_card/CHEMBL4269257/  target=_blank>CHEMBL4269257</a>";;;;;;;;;-6.52;;;;;;;;;;;;"Kuroda S, Kobashi Y, Oi T, Amada H, Okumura-Kitajima L, Io F, Yamamto K, Kakinuma H.: Discovery of a potent, low-absorbable sodium-dependent glucose cotransporter 1 (SGLT1) inhibitor (TP0438836) for the treatment of type 2 diabetes. Bioorg Med Chem Lett, Volume 28 (22), 2018";ChEMBL
MM474717;MM474717;CN1CCC(c2nc(-c3ccc(F)cc3)c(-c3ccnc(Nc4ccc(N5CCNCC5)cc4)n3)s2)CC1;GJHIMWIYQKRLGZ-UHFFFAOYSA-N;529.69;5.37;145991173;;;CHEMBL4288103;GENER;EPAM;25;0;"<a href=https://www.ebi.ac.uk/chembl/assay_report_card/CHEMBL4267046/  target=_blank>CHEMBL4267046</a>";;;;;;;;;-5.12;;;;;;;;;;;;"Tsagris DJ, Birchall K, Bouloc N, Large JM, Merritt A, Smiljanic-Hurley E, Wheldon M, Ansell KH, Kettleborough C, Whalley D, Stewart LB, Bowyer PW, Baker DA, Osborne SA.: Trisubstituted thiazoles as potent and selective inhibitors of Plasmodium falciparum protein kinase G (PfPKG). Bioorg Med Chem Lett, Volume 28 (19), 2018";ChEMBL
MM471760;MM471760;CC(C)OC(=O)c1ccnc2cc(C(OCCN3CCCCC3)c3cccc(NC(=O)C=CCN(C)C)c3)sc12;PVYGAXMMEOUGEL-FMIVXFBMSA-N;564.75;5.51;137796285;;;CHEMBL4288182;GENER;EPAM;25;0;"ph = 7.4, <a href=https://www.ebi.ac.uk/chembl/assay_report_card/CHEMBL4270063/  target=_blank>CHEMBL4270063</a>";;;;;;;;;-4.15;;;;;;;;;;;;"Horton JR, Woodcock CB, Chen Q, Liu X, Zhang X, Shanks J, Rai G, Mott BT, Jansen DJ, Kales SC, Henderson MJ, Cyr M, Pohida K, Hu X, Shah P, Xu X, Jadhav A, Maloney DJ, Hall MD, Simeonov A, Fu H, Vertino PM, Cheng X.: Structure-Based Engineering of Irreversible Inhibitors against Histone Lysine Demethylase KDM5A. J Med Chem, Volume 61 (23), 2018";ChEMBL
MM474721;MM474721;OC12CC3CC(C1)CC(NCc1ccc(Br)s1)(C3)C2;RMQRQXUFKDZJEU-UHFFFAOYSA-N;342.3;3.68;89613143;;;CHEMBL4288555;GENER;EPAM;25;0;"<a href=https://www.ebi.ac.uk/chembl/assay_report_card/CHEMBL4270391/  target=_blank>CHEMBL4270391</a>";;;;;;;;;-4.6;;;;;;;;;;;;"Hu Y, Hau RK, Wang Y, Tuohy P, Zhang Y, Xu S, Ma C, Wang J.: Structure-Property Relationship Studies of Influenza A Virus AM2-S31N Proton Channel Blockers. ACS Med Chem Lett, Volume 9 (11), 2018";ChEMBL
MM474369;MM474369;CC(Cn1ncc2c(Nc3cc(O)ccc3Cl)nc(SCCN3CCOCC3)nc21)c1ccccc1;SKWOKWBIUUHOLJ-UHFFFAOYSA-N;525.08;5.16;145991889;;;CHEMBL4288646;GENER;EPAM;25;0;"<a href=https://www.ebi.ac.uk/chembl/assay_report_card/CHEMBL4268759/  target=_blank>CHEMBL4268759</a>";;;;;;;;;-4.95;;;;;;;;;;;;"Molinari A, Fallacara AL, Di Maria S, Zamperini C, Poggialini F, Musumeci F, Schenone S, Angelucci A, Colapietro A, Crespan E, Kissova M, Maga G, Botta M.: Efficient optimization of pyrazolo[3,4-d]pyrimidines derivatives as c-Src kinase inhibitors in neuroblastoma treatment. Bioorg Med Chem Lett, Volume 28 (21), 2018";ChEMBL
MM473620;MM473620;NS(=O)(=O)c1ccc(-c2cnn3cc(-c4ccc(OCCN5CCCC5)cc4)cnc23)c2ccccc12;QBEIGPCAOHBNPR-UHFFFAOYSA-N;513.62;4.34;118664894;;;CHEMBL4288905;GENER;EPAM;25;0;"<a href=https://www.ebi.ac.uk/chembl/assay_report_card/CHEMBL4263980/  target=_blank>CHEMBL4263980</a>";;;;;;;;;-3.5;;;;;;;;;;;;"Jiang JK, Huang X, Shamim K, Patel PR, Lee A, Wang AQ, Nguyen K, Tawa G, Cuny GD, Yu PB, Zheng W, Xu X, Sanderson P, Huang W.: Discovery of 3-(4-sulfamoylnaphthyl)pyrazolo[1,5-a]pyrimidines as potent and selective ALK2 inhibitors. Bioorg Med Chem Lett, Volume 28 (20), 2018";ChEMBL
MM473613;MM473613;CC1CNCC(C)N1c1ccc(-c2cnc3c(-c4ccc(S(N)(=O)=O)c5ccccc45)cnn3c2)cc1;WFQFEVBCBPDEQQ-KDURUIRLSA-N;512.64;4.05;118664623;;;CHEMBL4288921;GENER;EPAM;25;0;"<a href=https://www.ebi.ac.uk/chembl/assay_report_card/CHEMBL4263980/  target=_blank>CHEMBL4263980</a>";;;;;;;;;-5.26;;;;;;;;;;;;"Jiang JK, Huang X, Shamim K, Patel PR, Lee A, Wang AQ, Nguyen K, Tawa G, Cuny GD, Yu PB, Zheng W, Xu X, Sanderson P, Huang W.: Discovery of 3-(4-sulfamoylnaphthyl)pyrazolo[1,5-a]pyrimidines as potent and selective ALK2 inhibitors. Bioorg Med Chem Lett, Volume 28 (20), 2018";ChEMBL
MM474377;MM474377;O=c1cc(Sc2ccc(Cl)cc2)[nH]c(=O)n1O;KQVCAKJYDIYLPP-UHFFFAOYSA-N;270.7;1.58;;;;;GENER;EPAM;25;0;"<a href=https://www.ebi.ac.uk/chembl/assay_report_card/CHEMBL4273396/  target=_blank>CHEMBL4273396</a>";;;;;;;;;-6.46;;;;;;;;;;;;"Wang L, Tang J, Huber AD, Casey MC, Kirby KA, Wilson DJ, Kankanala J, Xie J, Parniak MA, Sarafianos SG, Wang Z.: 6-Arylthio-3-hydroxypyrimidine-2,4-diones potently inhibited HIV reverse transcriptase-associated RNase H with antiviral activity. Eur J Med Chem, Volume 156, 2018";ChEMBL
MM473625;MM473625;Cc1noc(C)c1-c1ccc2nc(-c3cnn(CCO)c3)nc(N3CCOCC3c3ccccc3)c2c1;XGGMHAKFCUIDSF-UHFFFAOYSA-N;496.57;4.34;129182231;;;CHEMBL4289556;GENER;EPAM;25;0;"<a href=https://www.ebi.ac.uk/chembl/assay_report_card/CHEMBL4264649/  target=_blank>CHEMBL4264649</a>";;;;;;;;;-2.66;;;;;;;;;;;;"Yang SM, Urban DJ, Yoshioka M, Strovel JW, Fletcher S, Wang AQ, Xu X, Shah P, Hu X, Hall MD, Jadhav A, Maloney DJ.: Discovery and lead identification of quinazoline-based BRD4 inhibitors. Bioorg Med Chem Lett, Volume 28 (21), 2018";ChEMBL
MM472875;MM472875;CC1(C)CC(Oc2ccc(-c3ccc(-c4cn[nH]c4)cc3O)nn2)CC(C)(C)N1;STWTUEAWRAIWJG-UHFFFAOYSA-N;393.49;3.93;135565042;;;CHEMBL4290141;GENER;EPAM;25;0;"<a href=https://www.ebi.ac.uk/chembl/assay_report_card/CHEMBL4260939/  target=_blank>CHEMBL4260939</a>";;;;;;;;;-4.9;;;;;;;;;;;;"Cheung AK, Hurley B, Kerrigan R, Shu L, Chin DN, Shen Y, O'Brien G, Sung MJ, Hou Y, Axford J, Cody E, Sun R, Fazal A, Fridrich C, Sanchez CC, Tomlinson RC, Jain M, Deng L, Hoffmaster K, Song C, Van Hoosear M, Shin Y, Servais R, Towler C, Hild M, Curtis D, Dietrich WF, Hamann LG, Briner K, Chen KS, Kobayashi D, Sivasankaran R, Dales NA.: Discovery of Small Molecule Splicing Modulators of Survival Motor Neuron-2 (SMN2) for the Treatment of Spinal Muscular Atrophy (SMA). J Med Chem, Volume 61 (24), 2018";ChEMBL
MM471756;MM471756;COc1cc2c(N3CCCCC3)nc(N(C)C)nc2cc1OC1CCCC1;;370.5;4.02;;;;CHEMBL4290144;GENER;EPAM;25;0;"ph = 5.5, <a href=https://www.ebi.ac.uk/chembl/assay_report_card/CHEMBL4269093/  target=_blank>CHEMBL4269093</a>";;;;;;;;;-4.15;;;;;;;;;;;;"Paul B, Rahaman O, Roy S, Pal S, Satish S, Mukherjee A, Ghosh AR, Raychaudhuri D, Bhattacharya R, Goon S, Ganguly D, Talukdar A.: Activity-guided development of potent and selective toll-like receptor 9 antagonists. Eur J Med Chem, Volume 159, 2018";ChEMBL
MM471002;MM471002;CSc1nc(Nc2cccc(Cl)c2)c2cnn(CCc3ccccc3)c2n1;YQKKZNSKOPPFHY-UHFFFAOYSA-N;395.92;5.19;53484203;;;CHEMBL1836673;GENER;EPAM;25;0;"<a href=https://www.ebi.ac.uk/chembl/assay_report_card/CHEMBL4013498/  target=_blank>CHEMBL4013498</a>";;;;;;;;;-6.6;;;;;;;;;;;;"Vignaroli G, Iovenitti G, Zamperini C, Coniglio F, Calandro P, Molinari A, Fallacara AL, Sartucci A, Calgani A, Colecchia D, Mancini A, Festuccia C, Dreassi E, Valoti M, Musumeci F, Chiariello M, Angelucci A, Botta M, Schenone S.: Prodrugs of Pyrazolo[3,4-d]pyrimidines: From Library Synthesis to Evaluation as Potential Anticancer Agents in an Orthotopic Glioblastoma Model. J Med Chem, Volume 60 (14), 2017";ChEMBL
MM471756;MM471756;COc1cc2c(N3CCCCC3)nc(N(C)C)nc2cc1OC1CCCC1;;370.5;4.02;;;;CHEMBL4290144;GENER;EPAM;25;0;"ph = 7.4, <a href=https://www.ebi.ac.uk/chembl/assay_report_card/CHEMBL4269092/  target=_blank>CHEMBL4269092</a>";;;;;;;;;-4.43;;;;;;;;;;;;"Paul B, Rahaman O, Roy S, Pal S, Satish S, Mukherjee A, Ghosh AR, Raychaudhuri D, Bhattacharya R, Goon S, Ganguly D, Talukdar A.: Activity-guided development of potent and selective toll-like receptor 9 antagonists. Eur J Med Chem, Volume 159, 2018";ChEMBL
MM471003;MM471003;CSc1nc(Nc2cccc(Br)c2)c2cnn(CC(C)c3ccccc3)c2n1;JSXXDWHFXXQDDJ-UHFFFAOYSA-N;454.4;5.86;56682663;;;CHEMBL1836680;GENER;EPAM;25;0;"<a href=https://www.ebi.ac.uk/chembl/assay_report_card/CHEMBL4013498/  target=_blank>CHEMBL4013498</a>";;;;;;;;;-8;;;;;;;;;;;;"Vignaroli G, Iovenitti G, Zamperini C, Coniglio F, Calandro P, Molinari A, Fallacara AL, Sartucci A, Calgani A, Colecchia D, Mancini A, Festuccia C, Dreassi E, Valoti M, Musumeci F, Chiariello M, Angelucci A, Botta M, Schenone S.: Prodrugs of Pyrazolo[3,4-d]pyrimidines: From Library Synthesis to Evaluation as Potential Anticancer Agents in an Orthotopic Glioblastoma Model. J Med Chem, Volume 60 (14), 2017";ChEMBL
MM474375;MM474375;CC(Cn1ncc2c(Nc3cccc(O)c3)nc(NCCO)nc21)c1ccccc1;AHATUIZODRKCIG-UHFFFAOYSA-N;404.47;3.48;145989101;;;CHEMBL4290337;GENER;EPAM;25;0;"<a href=https://www.ebi.ac.uk/chembl/assay_report_card/CHEMBL4268759/  target=_blank>CHEMBL4268759</a>";;;;;;;;;-6.7;;;;;;;;;;;;"Molinari A, Fallacara AL, Di Maria S, Zamperini C, Poggialini F, Musumeci F, Schenone S, Angelucci A, Colapietro A, Crespan E, Kissova M, Maga G, Botta M.: Efficient optimization of pyrazolo[3,4-d]pyrimidines derivatives as c-Src kinase inhibitors in neuroblastoma treatment. Bioorg Med Chem Lett, Volume 28 (21), 2018";ChEMBL
MM471003;MM471003;CSc1nc(Nc2cccc(Br)c2)c2cnn(CC(C)c3ccccc3)c2n1;JSXXDWHFXXQDDJ-UHFFFAOYSA-N;454.4;5.86;56682663;;;CHEMBL1836680;GENER;EPAM;25;0;"<a href=https://www.ebi.ac.uk/chembl/assay_report_card/CHEMBL2411066/  target=_blank>CHEMBL2411066</a>";;;;;;;;;-8;;;;;;;;;;;;"Vignaroli G, Zamperini C, Dreassi E, Radi M, Angelucci A, Sanità P, Crespan E, Kissova M, Maga G, Schenone S, Musumeci F, Botta M.: Pyrazolo[3,4-d]pyrimidine Prodrugs: Strategic Optimization of the Aqueous Solubility of Dual Src/Abl Inhibitors. ACS Med Chem Lett, Volume 4 (7), 2013";ChEMBL
MM470959;MM470959;Clc1cc(-c2nn[nH]n2)ccc1-c1ccc(-n2ccnc2)cc1;BQLUXQRYHTVVRM-UHFFFAOYSA-N;322.76;3.37;118978782;;;CHEMBL4290485;GENER;EPAM;25;0;"<a href=https://www.ebi.ac.uk/chembl/assay_report_card/CHEMBL4260561/  target=_blank>CHEMBL4260561</a>";;;;;;;;;-6.92;;;;;;;;;;;;"Muthukaman N, Deshmukh S, Tondlekar S, Tambe M, Pisal D, Sarode N, Mhatre S, Chakraborti S, Shah D, Bhosale VM, Kulkarni A, Mahat MYA, Jadhav SB, Gudi GS, Khairatkar-Joshi N, Gharat LA.: Discovery of 5-(2-chloro-4'-(1H-imidazol-1-yl)-[1,1'-biphenyl]-4-yl)-1H-tetrazole as potent and orally efficacious S-nitrosoglutathione reductase (GSNOR) inhibitors for the potential treatment of COPD. Bioorg Med Chem Lett, Volume 28 (23-24), 2018";ChEMBL
MM473616;MM473616;NS(=O)(=O)c1ccc(-c2cnn3cc(-c4ccc(OCCN5CCCCC5)nc4)cnc23)c2ccccc12;FXLGFEGZMVWCIO-UHFFFAOYSA-N;528.64;4.12;118664876;;;CHEMBL4290804;GENER;EPAM;25;0;"<a href=https://www.ebi.ac.uk/chembl/assay_report_card/CHEMBL4263980/  target=_blank>CHEMBL4263980</a>";;;;;;;;;-3.44;;;;;;;;;;;;"Jiang JK, Huang X, Shamim K, Patel PR, Lee A, Wang AQ, Nguyen K, Tawa G, Cuny GD, Yu PB, Zheng W, Xu X, Sanderson P, Huang W.: Discovery of 3-(4-sulfamoylnaphthyl)pyrazolo[1,5-a]pyrimidines as potent and selective ALK2 inhibitors. Bioorg Med Chem Lett, Volume 28 (20), 2018";ChEMBL
MM472872;MM472872;CN(c1ccc(-c2ccc(-n3cc(CO)cn3)cc2O)nn1)C1CC(C)(C)NC(C)(C)C1;HVYYWJDRZBFWQO-UHFFFAOYSA-N;436.56;3.27;136598247;;;CHEMBL4291213;GENER;EPAM;25;0;"<a href=https://www.ebi.ac.uk/chembl/assay_report_card/CHEMBL4260939/  target=_blank>CHEMBL4260939</a>";;;;;;;;;-5.5;;;;;;;;;;;;"Cheung AK, Hurley B, Kerrigan R, Shu L, Chin DN, Shen Y, O'Brien G, Sung MJ, Hou Y, Axford J, Cody E, Sun R, Fazal A, Fridrich C, Sanchez CC, Tomlinson RC, Jain M, Deng L, Hoffmaster K, Song C, Van Hoosear M, Shin Y, Servais R, Towler C, Hild M, Curtis D, Dietrich WF, Hamann LG, Briner K, Chen KS, Kobayashi D, Sivasankaran R, Dales NA.: Discovery of Small Molecule Splicing Modulators of Survival Motor Neuron-2 (SMN2) for the Treatment of Spinal Muscular Atrophy (SMA). J Med Chem, Volume 61 (24), 2018";ChEMBL
MM471761;MM471761;CC(C)OC(=O)c1ccnc2cc(C(OCCN3CCCCC3)c3cccc(N)c3)sc12;CTRINUKXZJSOSR-UHFFFAOYSA-N;453.61;5.04;145987595;;;CHEMBL4291285;GENER;EPAM;25;0;"ph = 7.4, <a href=https://www.ebi.ac.uk/chembl/assay_report_card/CHEMBL4270063/  target=_blank>CHEMBL4270063</a>";;;;;;;;;-2.99;;;;;;;;;;;;"Horton JR, Woodcock CB, Chen Q, Liu X, Zhang X, Shanks J, Rai G, Mott BT, Jansen DJ, Kales SC, Henderson MJ, Cyr M, Pohida K, Hu X, Shah P, Xu X, Jadhav A, Maloney DJ, Hall MD, Simeonov A, Fu H, Vertino PM, Cheng X.: Structure-Based Engineering of Irreversible Inhibitors against Histone Lysine Demethylase KDM5A. J Med Chem, Volume 61 (23), 2018";ChEMBL
MM474373;MM474373;CC(Cn1ncc2c(Nc3cc(O)ccc3Cl)nc(NCCN)nc21)c1ccccc1;YPVYLNANXKPTGX-UHFFFAOYSA-N;437.94;4.1;145989362;;;CHEMBL4291408;GENER;EPAM;25;0;"<a href=https://www.ebi.ac.uk/chembl/assay_report_card/CHEMBL4268759/  target=_blank>CHEMBL4268759</a>";;;;;;;;;-5.66;;;;;;;;;;;;"Molinari A, Fallacara AL, Di Maria S, Zamperini C, Poggialini F, Musumeci F, Schenone S, Angelucci A, Colapietro A, Crespan E, Kissova M, Maga G, Botta M.: Efficient optimization of pyrazolo[3,4-d]pyrimidines derivatives as c-Src kinase inhibitors in neuroblastoma treatment. Bioorg Med Chem Lett, Volume 28 (21), 2018";ChEMBL
MM474719;MM474719;Cc1ccnc(COc2ccc(C)nc2-c2ccc3c(c2)CCNCC3)c1;KUVJIFPAOJEBMN-UHFFFAOYSA-N;359.47;4.03;70665321;;;CHEMBL4291945;GENER;EPAM;25;0;"<a href=https://www.ebi.ac.uk/chembl/assay_report_card/CHEMBL4268687/  target=_blank>CHEMBL4268687</a>";;;;;;;;;-4.36;;;;;;;;;;;;"Barker MD, Liddle J, Atkinson FL, Wilson DM, Dickson MC, Ramirez-Molina C, Lewis H, Davis RP, Somers DO, Neu M, Jones E, Watson R.: Discovery of potent and selective Spleen Tyrosine Kinase inhibitors for the topical treatment of inflammatory skin disease. Bioorg Med Chem Lett, Volume 28 (21), 2018";ChEMBL
MM474376;MM474376;Cc1ccc(Sc2cc(=O)n(O)c(=O)[nH]2)cc1;ADEKHVBAFHNWSI-UHFFFAOYSA-N;250.28;1.23;;;;;GENER;EPAM;25;0;"<a href=https://www.ebi.ac.uk/chembl/assay_report_card/CHEMBL4273396/  target=_blank>CHEMBL4273396</a>";;;;;;;;;-6.04;;;;;;;;;;;;"Wang L, Tang J, Huber AD, Casey MC, Kirby KA, Wilson DJ, Kankanala J, Xie J, Parniak MA, Sarafianos SG, Wang Z.: 6-Arylthio-3-hydroxypyrimidine-2,4-diones potently inhibited HIV reverse transcriptase-associated RNase H with antiviral activity. Eur J Med Chem, Volume 156, 2018";ChEMBL
MM474379;MM474379;O=c1cc(Sc2ccc(-c3ccc(O)cc3)cc2)[nH]c(=O)n1O;MBXVAZICFZAFMX-UHFFFAOYSA-N;328.35;2.3;;;;;GENER;EPAM;25;0;"<a href=https://www.ebi.ac.uk/chembl/assay_report_card/CHEMBL4273396/  target=_blank>CHEMBL4273396</a>";;;;;;;;;-7.41;;;;;;;;;;;;"Wang L, Tang J, Huber AD, Casey MC, Kirby KA, Wilson DJ, Kankanala J, Xie J, Parniak MA, Sarafianos SG, Wang Z.: 6-Arylthio-3-hydroxypyrimidine-2,4-diones potently inhibited HIV reverse transcriptase-associated RNase H with antiviral activity. Eur J Med Chem, Volume 156, 2018";ChEMBL
MM474720;MM474720;OC12CC3CC(C1)CC(NCc1ccc(I)s1)(C3)C2;YYXVKXPXGNYCLX-UHFFFAOYSA-N;389.3;3.53;145986518;;;CHEMBL4293041;GENER;EPAM;25;0;"<a href=https://www.ebi.ac.uk/chembl/assay_report_card/CHEMBL4270391/  target=_blank>CHEMBL4270391</a>";;;;;;;;;-4.69;;;;;;;;;;;;"Hu Y, Hau RK, Wang Y, Tuohy P, Zhang Y, Xu S, Ma C, Wang J.: Structure-Property Relationship Studies of Influenza A Virus AM2-S31N Proton Channel Blockers. ACS Med Chem Lett, Volume 9 (11), 2018";ChEMBL
MM473621;MM473621;CC(N)c1ccc(-c2cnc3c(-c4ccc(S(N)(=O)=O)c5ccccc45)cnn3c2)cc1;NEDLDPMBQCLFFX-UHFFFAOYSA-N;443.53;3.88;118665087;;;CHEMBL4293917;GENER;EPAM;25;0;"<a href=https://www.ebi.ac.uk/chembl/assay_report_card/CHEMBL4263980/  target=_blank>CHEMBL4263980</a>";;;;;;;;;-4.85;;;;;;;;;;;;"Jiang JK, Huang X, Shamim K, Patel PR, Lee A, Wang AQ, Nguyen K, Tawa G, Cuny GD, Yu PB, Zheng W, Xu X, Sanderson P, Huang W.: Discovery of 3-(4-sulfamoylnaphthyl)pyrazolo[1,5-a]pyrimidines as potent and selective ALK2 inhibitors. Bioorg Med Chem Lett, Volume 28 (20), 2018";ChEMBL
MM474371;MM474371;CC(Cn1ncc2c(Nc3cc(O)ccc3Cl)nc(NCCO)nc21)c1ccccc1;ZAZXISVLNYMWGS-UHFFFAOYSA-N;438.92;4.14;145993898;;;CHEMBL4294817;GENER;EPAM;25;0;"<a href=https://www.ebi.ac.uk/chembl/assay_report_card/CHEMBL4268759/  target=_blank>CHEMBL4268759</a>";;;;;;;;;-7;;;;;;;;;;;;"Molinari A, Fallacara AL, Di Maria S, Zamperini C, Poggialini F, Musumeci F, Schenone S, Angelucci A, Colapietro A, Crespan E, Kissova M, Maga G, Botta M.: Efficient optimization of pyrazolo[3,4-d]pyrimidines derivatives as c-Src kinase inhibitors in neuroblastoma treatment. Bioorg Med Chem Lett, Volume 28 (21), 2018";ChEMBL
MM471754;MM471754;COC(=O)C(Cc1c[nH]c2ccccc12)N(Cc1ccccc1)Cc1ccccc1;HHVOOJDLCVOLKI-VWLOTQADSA-N;398.51;4.95;57055437;;;CHEMBL4295040;GENER;EPAM;25;0;"ph = 7.4, <a href=https://www.ebi.ac.uk/chembl/assay_report_card/CHEMBL4256799/  target=_blank>CHEMBL4256799</a>";;;;;;;;;-6.01;;;;;;;;;;;;"Bertamino A, Iraci N, Ostacolo C, Ambrosino P, Musella S, Di Sarno V, Ciaglia T, Pepe G, Sala M, Soldovieri MV, Mosca I, Gonzalez-Rodriguez S, Fernandez-Carvajal A, Ferrer-Montiel A, Novellino E, Taglialatela M, Campiglia P, Gomez-Monterrey I.: Identification of a Potent Tryptophan-Based TRPM8 Antagonist With in Vivo Analgesic Activity. J Med Chem, Volume 61 (14), 2018";ChEMBL
MM472897;MM472897;COc1cc(Nc2c(C#N)cnc3cc(NCCCN4CCN(C)CC4)c(OC)cc23)c(Cl)cc1Cl;PUEYQRUPNCJAHW-UHFFFAOYSA-N;529.47;5.22;10075657;;;CHEMBL429712;GENER;EPAM;25;0;"<a href=https://www.ebi.ac.uk/chembl/assay_report_card/CHEMBL922057/  target=_blank>CHEMBL922057</a>";;;;;;;;;-4.97;;;;;;;;;;;;"Boschelli DH, Wu B, Ye F, Durutlic H, Golas JM, Lucas J, Boschelli F.: Facile preparation of new 4-phenylamino-3-quinolinecarbonitrile Src kinase inhibitors via 7-fluoro intermediates: identification of potent 7-amino analogs. Bioorg Med Chem, Volume 16 (1), 2008";ChEMBL
MM473651;MM473651;CC(Nc1ccc(C#N)n(C)c1=O)c1cc2cc(Cl)ccc2[nH]c1=O;NEQYWYXGTJDAKR-JTQLQIEISA-N;354.8;2.92;118955396;;;CHEMBL4297610;GENER;EPAM;25;0;"<a href=https://www.ebi.ac.uk/chembl/assay_report_card/CHEMBL4325730/  target=_blank>CHEMBL4325730</a>";;;;;;;;;-4.7;;;;;;;;;;;;"Caravella JA, Lin J, Diebold RB, Campbell AM, Ericsson A, Gustafson G, Wang Z, Castro J, Clarke A, Gotur D, Josephine HR, Katz M, Kershaw M, Yao L, Toms AV, Barr KJ, Dinsmore CJ, Walker D, Ashwell S, Lu W.: Structure-Based Design and Identification of FT-2102 (Olutasidenib), a Potent Mutant-Selective IDH1 Inhibitor. J Med Chem, Volume 63 (4), 2020";ChEMBL
MM473830;MM473830;CC(C)OC(=O)CNc1cccc(CN(Cc2ccc(-n3cccn3)cc2)S(=O)(=O)c2cccnc2)n1;VIQCWEGEHRBLAC-UHFFFAOYSA-N;520.62;3.42;44230999;;;CHEMBL4297666;GENER;EPAM;25;0;"<a href=https://www.ebi.ac.uk/chembl/assay_report_card/CHEMBL4326157/  target=_blank>CHEMBL4326157</a>";;;;;;;;;-4.55;;;;;;;;;;;;"Iwamura R, Tanaka M, Okanari E, Kirihara T, Odani-Kawabata N, Shams N, Yoneda K.: Identification of a Selective, Non-Prostanoid EP2 Receptor Agonist for the Treatment of Glaucoma: Omidenepag and its Prodrug Omidenepag Isopropyl. J Med Chem, Volume 61 (15), 2018";ChEMBL
Hydrochlorothiazide;MM00373;NS(=O)(=O)c1cc2c(cc1Cl)NCNS2(=O)=O;JZUFKLXOESDKRF-UHFFFAOYSA-N;297.75;-0.35;3639;DB00999;HCZ;CHEMBL435;GENER;EPAM;25;0;"<a href=https://www.ebi.ac.uk/chembl/assay_report_card/CHEMBL4223782/  target=_blank>CHEMBL4223782</a>";;;;;;;;;-7.22;;;;;;;;;;;;"Wodtke R, Hauser C, Ruiz-Gómez G, Jäckel E, Bauer D, Lohse M, Wong A, Pufe J, Ludwig FA, Fischer S, Hauser S, Greif D, Pisabarro MT, Pietzsch J, Pietsch M, Löser R.: N<sup>ε</sup>-Acryloyllysine Piperazides as Irreversible Inhibitors of Transglutaminase 2: Synthesis, Structure-Activity Relationships, and Pharmacokinetic Profiling. J Med Chem, Volume 61 (10), 2018";ChEMBL
MM471549;MM471549;COc1ccc(Cl)cc1NC(=O)Nc1cc(C)nc2ccccc12;YBLWOZUPHDKFOT-UHFFFAOYSA-N;341.8;4.85;9549305;;;CHEMBL439259;GENER;EPAM;25;0;"ph = 7.4, <a href=https://www.ebi.ac.uk/chembl/assay_report_card/CHEMBL1696258/  target=_blank>CHEMBL1696258</a>";;;;;;;;;-3.47;;;;;;;;;;;;"Zhang Y, Anderson M, Weisman JL, Lu M, Choy CJ, Boyd VA, Price J, Sigal M, Clark J, Connelly M, Zhu F, Guiguemde WA, Jeffries C, Yang L, Lemoff A, Liou AP, Webb TR, Derisi JL, Guy RK.: Evaluation of Diarylureas for Activity Against Plasmodium falciparum. ACS Med Chem Lett, Volume 1 (9), 2010";ChEMBL
MM473716;MM473716;CCNC(=O)c1cc2c(-c3cc(S(=O)(=O)CC)ccc3Oc3c(C)cccc3Br)cn(C)c(=O)c2[nH]1;ZOAMPPWASMABDR-UHFFFAOYSA-N;572.48;4.94;;;;;GENER;EPAM;25;0;"<a href=https://www.ebi.ac.uk/chembl/assay_report_card/CHEMBL4346341/  target=_blank>CHEMBL4346341</a>";;;;;;;;;-4.98;;;;;;;;;;;;"Sheppard GS, Wang L, Fidanze SD, Hasvold LA, Liu D, Pratt JK, Park CH, Longenecker K, Qiu W, Torrent M, Kovar PJ, Bui M, Faivre E, Huang X, Lin X, Wilcox D, Zhang L, Shen Y, Albert DH, Magoc TJ, Rajaraman G, Kati WM, McDaniel KF.: Discovery of <i>N</i>-Ethyl-4-[2-(4-fluoro-2,6-dimethyl-phenoxy)-5-(1-hydroxy-1-methyl-ethyl)phenyl]-6-methyl-7-oxo-1<i>H</i>-pyrrolo[2,3-<i>c</i>]pyridine-2-carboxamide (ABBV-744), a BET Bromodomain Inhibitor with Selectivity for the Second Bromodomain. J Med Chem, Volume 63 (10), 2020";ChEMBL
MM472879;MM472879;O=C(O)CC1CCC(c2ccc(-c3ccc(Nc4nnc(C5CCC5)o4)cn3)cc2)CC1;MPSPDEXLSVLZRT-QAQDUYKDSA-N;432.52;5.89;155511086;;;CHEMBL4434994;GENER;EPAM;25;0;"<a href=https://www.ebi.ac.uk/chembl/assay_report_card/CHEMBL4307359/  target=_blank>CHEMBL4307359</a>";;;;;;;;;-5.8;;;;;;;;;;;;"Harrison TJ, Bauer D, Berdichevsky A, Chen X, Duvadie R, Hoogheem B, Hatsis P, Liu Q, Mao J, Miduturu V, Rocheford E, Zecri F, Zessis R, Zheng R, Zhu Q, Streeper R, Patel SJ.: Successful Strategies for Mitigation of a Preclinical Signal for Phototoxicity in a DGAT1 Inhibitor. ACS Med Chem Lett, Volume 10 (8), 2019";ChEMBL
MM472368;MM472368;"CC(C)(O/N=C(\C(=O)N[C@@H]1C(=O)N2C(C(=O)[O-])=C(C[n+]3ccccc3)CS[C@H]12)c1csc(N)n1)C(=O)O";ORFOPKXBNMVMKC-DWVKKRMSSA-N;546.59;-1.3;;;;;GENER;EPAM;25;+1,-1;"ph = 6.5, <a href=https://www.ebi.ac.uk/chembl/assay_report_card/CHEMBL1046150/  target=_blank>CHEMBL1046150</a>";;;;;;;;;-6.7;;;;;;;;;;;;"Tam KY, Avdeef A, Tsinman O, Sun N.: The permeation of amphoteric drugs through artificial membranes--an in combo absorption model based on paracellular and transmembrane permeability. J Med Chem, Volume 53 (1), 392-401, 2010";ChEMBL
MM473657;MM473657;CN(C)CCCOc1cccc(CNC(=O)c2ccc(-c3ccncc3)cc2)c1;OTJCUPAITLBALS-UHFFFAOYSA-N;389.5;4.01;155511547;;;CHEMBL4436040;GENER;EPAM;25;0;"<a href=https://www.ebi.ac.uk/chembl/assay_report_card/CHEMBL4328672/  target=_blank>CHEMBL4328672</a>";;;;;;;;;-5.61;;;;;;;;;;;;"Hobson AD, Judge RA, Aguirre AL, Brown BS, Cui Y, Ding P, Dominguez E, DiGiammarino E, Egan DA, Freiberg GM, Gopalakrishnan SM, Harris CM, Honore MP, Kage KL, Kapecki NJ, Ling C, Ma J, Mack H, Mamo M, Maurus S, McRae B, Moore NS, Mueller BK, Mueller R, Namovic MT, Patel K, Pratt SD, Putman CB, Queeney KL, Sarris KK, Schaffter LM, Stoll V, Vasudevan A, Wang L, Wang L, Wirthl W, Yach K.: Identification of Selective Dual ROCK1 and ROCK2 Inhibitors Using Structure-Based Drug Design. J Med Chem, Volume 61 (24), 2018";ChEMBL
MM473682;MM473682;O=C(c1ccccn1)N1CCCC(c2cc3ncccc3[nH]2)C1;BWWDNXKYAUAMIX-UHFFFAOYSA-N;306.37;2.98;155511843;;;CHEMBL4436506;GENER;EPAM;25;0;"<a href=https://www.ebi.ac.uk/chembl/assay_report_card/CHEMBL4343676/  target=_blank>CHEMBL4343676</a>";;;;;;;;;-5.63;;;;;;;;;;;;"Koovits PJ, Dessoy MA, Matheeussen A, Maes L, Caljon G, Mowbray CE, Kratz JM, Dias LC.: Structure-activity relationship of 4-azaindole-2-piperidine derivatives as agents against Trypanosoma cruzi. Bioorg Med Chem Lett, Volume 30 (1), 2020";ChEMBL
MM474726;MM474726;NC(=O)c1cc(-c2ccccc2)cc2c(C3CCN(S(=O)(=O)CCCN4CCCC4)CC3)c[nH]c12;ROHVMXPLAXOWHS-UHFFFAOYSA-N;494.66;3.93;11705934;;;CHEMBL4436805;GENER;EPAM;25;0;"<a href=https://www.ebi.ac.uk/chembl/assay_report_card/CHEMBL4329666/  target=_blank>CHEMBL4329666</a>";;;;;;;;;-4.8;;;;;;;;;;;;"Kerns JK, Busch-Petersen J, Fu W, Boehm JC, Nie H, Muratore M, Bullion A, Lin G, Li H, Davis R, Lin X, Lakdawala AS, Cousins R, Field R, Payne J, Miller DD, Bamborough P, Christopher JA, Baldwin I, Osborn RR, Yonchuk J, Webb E, Rumsey WL.: 3,5-Disubstituted-indole-7-carboxamides as IKKβ Inhibitors: Optimization of Oral Activity via the C3 Substituent. ACS Med Chem Lett, Volume 9 (12), 2018";ChEMBL
MM471765;MM471765;Cc1cc(C=CC(C)(C)C(=O)NC(C)(C)CO)ccc1Cc1cc(C2OC(CO)C(O)C(O)C2O)c(O)cc1C(C)C;MWKPZSAYDCWXQK-MNTZPKNGSA-N;585.74;2.86;155512672;;;CHEMBL4437509;GENER;EPAM;25;0;"ph = 7.4, <a href=https://www.ebi.ac.uk/chembl/assay_report_card/CHEMBL4311711/  target=_blank>CHEMBL4311711</a>";;;;;;;;;-6.3;;;;;;;;;;;;"Kuroda S, Kobashi Y, Oi T, Kawabe K, Shiozawa F, Okumura-Kitajima L, Sugisaki-Kitano M, Io F, Yamamoto K, Kakinuma H.: Discovery of potent, low-absorbable sodium-dependent glucose cotransporter 1 (SGLT1) inhibitor SGL5213 for type 2 diabetes treatment. Bioorg Med Chem, Volume 27 (2), 2019";ChEMBL
MM473626;MM473626;NC(N)=NCCCCCCCCN(CCCCCCCCNC(N)=NCC1CC1)C(=O)N(CCCCCCCCN=C(N)N)CCCCCCCCNC(N)=NCC1CC1;VMIMWAHXYZOQRS-UHFFFAOYSA-N;845.33;7.09;132015240;;;CHEMBL4438023;GENER;EPAM;25;0;"<a href=https://www.ebi.ac.uk/chembl/assay_report_card/CHEMBL4310211/  target=_blank>CHEMBL4310211</a>";;;;;;;;;-5.8;;;;;;;;;;;;"Pasero C, D'Agostino I, De Luca F, Zamperini C, Deodato D, Truglio GI, Sannio F, Del Prete R, Ferraro T, Visaggio D, Mancini A, Guglielmi MB, Visca P, Docquier JD, Botta M.: Alkyl-guanidine Compounds as Potent Broad-Spectrum Antibacterial Agents: Chemical Library Extension and Biological Characterization. J Med Chem, Volume 61 (20), 2018";ChEMBL
MM471785;MM471785;COc1cc(C(=O)N2CCc3c(c(=O)oc4c(C)c(N5CCN(C)CC5)ccc34)C2)ccc1NS(C)(=O)=O;JYXFPWJRSZGEBC-UHFFFAOYSA-N;540.64;2.43;155513436;;;CHEMBL4438430;GENER;EPAM;25;0;"ph = 7.4, <a href=https://www.ebi.ac.uk/chembl/assay_report_card/CHEMBL4338138/  target=_blank>CHEMBL4338138</a>";;;;;;;;;-4.35;;;;;;;;;;;;"Kawai J, Toki T, Ota M, Inoue H, Takata Y, Asahi T, Suzuki M, Shimada T, Ono K, Suzuki K, Takaishi S, Ohki H, Matsui S, Tsutsumi S, Hirota Y, Nakayama K.: Discovery of a Potent, Selective, and Orally Available MTHFD2 Inhibitor (DS18561882) with in Vivo Antitumor Activity. J Med Chem, Volume 62 (22), 2019";ChEMBL
MM473633;MM473633;Cc1nc(Nc2ncc(C(=O)Nc3c(C)cccc3Cl)s2)cc(N2CCN(CCOCCOCCNC(=O)CS(=O)(=O)O)CC2)n1;JCNVRKBMXOPADG-UHFFFAOYSA-N;697.24;2.36;155513533;;;CHEMBL4439020;GENER;EPAM;25;0;"<a href=https://www.ebi.ac.uk/chembl/assay_report_card/CHEMBL4312050/  target=_blank>CHEMBL4312050</a>";;;;;;;;;-7.56;;;;;;;;;;;;"Richardson PL, Marin VL, Koeniger SL, Baranczak A, Wilsbacher JL, Kovar PJ, Bacon-Trusk PE, Cheng M, Hopkins TA, Haman ST, Vasudevan A.: Controlling cellular distribution of drugs with permeability modifying moieties. Medchemcomm, Volume 10 (6), 2019";ChEMBL
MM472249;MM472249;O=C(NC1CCC(c2ccccc2)CC1)c1[nH]c(=O)[nH]c(=O)c1O;;329.36;1.23;89862354;;;CHEMBL4439500;GENER;EPAM;25;0;"ph = 5.5, <a href=https://www.ebi.ac.uk/chembl/assay_report_card/CHEMBL4327021/  target=_blank>CHEMBL4327021</a>";;;;;;;;;-4.37;;;;;;;;;;;;"Hu CH, Wang TC, Qiao JX, Haque L, Chen AYA, Taylor DS, Ying X, Onorato JM, Galella M, Shen H, Huang CS, Toussaint N, Li YX, Abell L, Adam LP, Gordon D, Wexler RR, Finlay HJ.: Discovery and synthesis of tetrahydropyrimidinedione-4-carboxamides as endothelial lipase inhibitors. Bioorg Med Chem Lett, Volume 28 (23-24), 2018";ChEMBL
MM472249;MM472249;O=C(NC1CCC(c2ccccc2)CC1)c1[nH]c(=O)[nH]c(=O)c1O;;329.36;1.23;89862354;;;CHEMBL4439500;GENER;EPAM;25;0;"ph = 7.4, <a href=https://www.ebi.ac.uk/chembl/assay_report_card/CHEMBL4327022/  target=_blank>CHEMBL4327022</a>";;;;;;;;;-5.92;;;;;;;;;;;;"Hu CH, Wang TC, Qiao JX, Haque L, Chen AYA, Taylor DS, Ying X, Onorato JM, Galella M, Shen H, Huang CS, Toussaint N, Li YX, Abell L, Adam LP, Gordon D, Wexler RR, Finlay HJ.: Discovery and synthesis of tetrahydropyrimidinedione-4-carboxamides as endothelial lipase inhibitors. Bioorg Med Chem Lett, Volume 28 (23-24), 2018";ChEMBL
MM472336;MM472336;C=CC(=O)N(CC)CCOc1c(N)ncnc1-c1cc(F)cc(NC(=O)c2ccc(C3CC3)cc2F)c1C;VZROXOWFGUBXPC-UHFFFAOYSA-N;521.57;4.86;118107436;;;CHEMBL4439622;GENER;EPAM;25;0;"ph = 6.8, <a href=https://www.ebi.ac.uk/chembl/assay_report_card/CHEMBL4358497/  target=_blank>CHEMBL4358497</a>";;;;;;;;;-4.2;;;;;;;;;;;;"Angst D, Gessier F, Janser P, Vulpetti A, Wälchli R, Beerli C, Littlewood-Evans A, Dawson J, Nuesslein-Hildesheim B, Wieczorek G, Gutmann S, Scheufler C, Hinniger A, Zimmerlin A, Funhoff EG, Pulz R, Cenni B.: Discovery of LOU064 (Remibrutinib), a Potent and Highly Selective Covalent Inhibitor of Bruton's Tyrosine Kinase. J Med Chem, Volume 63 (10), 2020";ChEMBL
MM472252;MM472252;CCN(C(=O)OC)c1cc2oc(-c3ccc(F)cc3)c(C(=O)NC)c2cc1-c1ccc(OC)c(C(=O)NC2(c3ncccn3)CC2)c1;GTXYAGIZFYSRDP-UHFFFAOYSA-N;637.67;6.08;155514266;;;CHEMBL4439859;GENER;EPAM;25;0;"ph = 7.4, <a href=https://www.ebi.ac.uk/chembl/assay_report_card/CHEMBL4329907/  target=_blank>CHEMBL4329907</a>";;;;;;;;;-4.18;;;;;;;;;;;;"Yeung KS, Beno BR, Mosure K, Zhu J, Grant-Young KA, Parcella K, Anjanappa P, Bora RO, Selvakumar K, Wang YK, Fang H, Krause R, Rigat K, Liu M, Lemm J, Sheriff S, Witmer M, Tredup J, Jardel A, Kish K, Parker D, Haskell R, Santone K, Meanwell NA, Soars MG, Roberts SB, Kadow JF.: Structure-Property Basis for Solving Transporter-Mediated Efflux and Pan-Genotypic Inhibition in HCV NS5B Inhibitors. ACS Med Chem Lett, Volume 9 (12), 2018";ChEMBL
MM473718;MM473718;CCNC(=O)c1cc2c(-c3cc(S(=O)(=O)CC)ccc3Oc3c(C)cccc3C#N)cn(C)c(=O)c2[nH]1;GDGJQPSTAOPEFI-UHFFFAOYSA-N;518.6;4.05;;;;;GENER;EPAM;25;0;"<a href=https://www.ebi.ac.uk/chembl/assay_report_card/CHEMBL4346341/  target=_blank>CHEMBL4346341</a>";;;;;;;;;-4.82;;;;;;;;;;;;"Sheppard GS, Wang L, Fidanze SD, Hasvold LA, Liu D, Pratt JK, Park CH, Longenecker K, Qiu W, Torrent M, Kovar PJ, Bui M, Faivre E, Huang X, Lin X, Wilcox D, Zhang L, Shen Y, Albert DH, Magoc TJ, Rajaraman G, Kati WM, McDaniel KF.: Discovery of <i>N</i>-Ethyl-4-[2-(4-fluoro-2,6-dimethyl-phenoxy)-5-(1-hydroxy-1-methyl-ethyl)phenyl]-6-methyl-7-oxo-1<i>H</i>-pyrrolo[2,3-<i>c</i>]pyridine-2-carboxamide (ABBV-744), a BET Bromodomain Inhibitor with Selectivity for the Second Bromodomain. J Med Chem, Volume 63 (10), 2020";ChEMBL
MM473681;MM473681;N#Cc1ccc(C(=O)N2CCCC(c3cc4ncccc4[nH]3)C2)cc1;JCACGVWVECBJKF-UHFFFAOYSA-N;330.39;3.45;155515502;;;CHEMBL4442071;GENER;EPAM;25;0;"<a href=https://www.ebi.ac.uk/chembl/assay_report_card/CHEMBL4343676/  target=_blank>CHEMBL4343676</a>";;;;;;;;;-6.42;;;;;;;;;;;;"Koovits PJ, Dessoy MA, Matheeussen A, Maes L, Caljon G, Mowbray CE, Kratz JM, Dias LC.: Structure-activity relationship of 4-azaindole-2-piperidine derivatives as agents against Trypanosoma cruzi. Bioorg Med Chem Lett, Volume 30 (1), 2020";ChEMBL
MM473687;MM473687;Cn1nccc1C(=O)N1CCCC(c2cc3ncccc3[nH]2)C1;DJGUBJNSDYCHOS-UHFFFAOYSA-N;309.37;2.32;110236411;;;CHEMBL4442402;GENER;EPAM;25;0;"<a href=https://www.ebi.ac.uk/chembl/assay_report_card/CHEMBL4343676/  target=_blank>CHEMBL4343676</a>";;;;;;;;;-5.99;;;;;;;;;;;;"Koovits PJ, Dessoy MA, Matheeussen A, Maes L, Caljon G, Mowbray CE, Kratz JM, Dias LC.: Structure-activity relationship of 4-azaindole-2-piperidine derivatives as agents against Trypanosoma cruzi. Bioorg Med Chem Lett, Volume 30 (1), 2020";ChEMBL
MM473728;MM473728;COc1cc2[nH]c(=O)c(C(C)Nc3ncc(C#N)c(OC)n3)cc2cc1Cl;DIDCUOGCZYTDKE-VIFPVBQESA-N;385.81;3.03;118953591;;;CHEMBL4442678;GENER;EPAM;25;0;"<a href=https://www.ebi.ac.uk/chembl/assay_report_card/CHEMBL4360263/  target=_blank>CHEMBL4360263</a>";;;;;;;;;-4.9;;;;;;;;;;;;"Lin J, Lu W, Caravella JA, Campbell AM, Diebold RB, Ericsson A, Fritzen E, Gustafson GR, Lancia DR, Shelekhin T, Wang Z, Castro J, Clarke A, Gotur D, Josephine HR, Katz M, Diep H, Kershaw M, Yao L, Kauffman G, Hubbs SE, Luke GP, Toms AV, Wang L, Bair KW, Barr KJ, Dinsmore C, Walker D, Ashwell S.: Discovery and Optimization of Quinolinone Derivatives as Potent, Selective, and Orally Bioavailable Mutant Isocitrate Dehydrogenase 1 (mIDH1) Inhibitors. J Med Chem, Volume 62 (14), 2019";ChEMBL
MM472267;MM472267;CC(=O)NC1CC(N(C)C(C)C)CCC1N1CCC(Nc2ncnc3ccc(C(F)(F)F)cc23)C1=O;GVOISEJVFFIGQE-YCZSINBZSA-N;506.57;3.43;23725177;;;CHEMBL4442783;GENER;EPAM;25;0;"ph = 7.4, <a href=https://www.ebi.ac.uk/chembl/assay_report_card/CHEMBL4339727/  target=_blank>CHEMBL4339727</a>";;;;;;;;;-4.35;;;;;;;;;;;;"Yang MG, Xiao Z, Cherney RJ, Tebben AJ, Batt DG, Brown GD, Chen J, Cvijic ME, Dabros M, Duncia JV, Galella M, Gardner DS, Khandelwal P, Ko SS, Malley MF, Mo R, Pang J, Rose AV, Santella JB, Shi H, Srivastava A, Traeger SC, Wang B, Xu S, Zhao R, Barrish JC, Mandlekar S, Zhao Q, Carter PH.: Use of a Conformational-Switching Mechanism to Modulate Exposed Polarity: Discovery of CCR2 Antagonist BMS-741672. ACS Med Chem Lett, Volume 10 (3), 2019";ChEMBL
MM472272;MM472272;Cn1c(C(=O)NC2(c3ccc(CO)cc3)COC2)cc2c(Cl)c(Cl)ccc21;SOTJPDGLCOSZOR-UHFFFAOYSA-N;405.28;3.63;155516063;;;CHEMBL4442828;GENER;EPAM;25;0;"ph = 7.4, <a href=https://www.ebi.ac.uk/chembl/assay_report_card/CHEMBL4350236/  target=_blank>CHEMBL4350236</a>";;;;;;;;;-4.81;;;;;;;;;;;;"Mullarky E, Xu J, Robin AD, Huggins DJ, Jennings A, Noguchi N, Olland A, Lakshminarasimhan D, Miller M, Tomita D, Michino M, Su T, Zhang G, Stamford AW, Meinke PT, Kargman S, Cantley LC.: Inhibition of 3-phosphoglycerate dehydrogenase (PHGDH) by indole amides abrogates de novo serine synthesis in cancer cells. Bioorg Med Chem Lett, Volume 29 (17), 2019";ChEMBL
MM473697;MM473697;COc1ccc2[nH]c(C3CCCN(C(=O)c4ccc(F)cc4)C3)cc2n1;QWKVPQREGQLXFO-UHFFFAOYSA-N;353.4;3.73;155516518;;;CHEMBL4443863;GENER;EPAM;25;0;"<a href=https://www.ebi.ac.uk/chembl/assay_report_card/CHEMBL4343676/  target=_blank>CHEMBL4343676</a>";;;;;;;;;-4.84;;;;;;;;;;;;"Koovits PJ, Dessoy MA, Matheeussen A, Maes L, Caljon G, Mowbray CE, Kratz JM, Dias LC.: Structure-activity relationship of 4-azaindole-2-piperidine derivatives as agents against Trypanosoma cruzi. Bioorg Med Chem Lett, Volume 30 (1), 2020";ChEMBL
MM473690;MM473690;O=C(c1cc(C(F)(F)F)no1)N1CCCC(c2cc3ncccc3[nH]2)C1;MNKDWPQWYVYQPR-UHFFFAOYSA-N;364.33;3.59;155516917;;;CHEMBL4444033;GENER;EPAM;25;0;"<a href=https://www.ebi.ac.uk/chembl/assay_report_card/CHEMBL4343676/  target=_blank>CHEMBL4343676</a>";;;;;;;;;-5.46;;;;;;;;;;;;"Koovits PJ, Dessoy MA, Matheeussen A, Maes L, Caljon G, Mowbray CE, Kratz JM, Dias LC.: Structure-activity relationship of 4-azaindole-2-piperidine derivatives as agents against Trypanosoma cruzi. Bioorg Med Chem Lett, Volume 30 (1), 2020";ChEMBL
MM471461;MM471461;C[C@H]1[C@H](C)CC[C@]2(C(=O)O)CC[C@]3(C)C(=CC[C@@H]4[C@@]5(C)CC(Br)C(=O)C(C)(C)[C@@H]5CC[C@]43C)[C@H]12;QPQPGYRSRSALDI-ZFHJGTQRSA-N;533.59;7.67;;;;;GENER;EPAM;25;0;"ph = 7.4, <a href=https://www.ebi.ac.uk/chembl/assay_report_card/CHEMBL4315699/  target=_blank>CHEMBL4315699</a>";;;;;;;;;-4.93;;;;;;;;;;;;"Borková L, Frydrych I, Jakubcová N, Adámek R, Lišková B, Gurská S, Medvedíková M, Hajdúch M, Urban M.: Synthesis and biological evaluation of triterpenoid thiazoles derived from betulonic acid, dihydrobetulonic acid, and ursonic acid. Eur J Med Chem, Volume 185, 2020";ChEMBL
MM472270;MM472270;CONC(=O)Cc1ccc(C2(NC(=O)c3cc4c(Cl)c(Cl)ccc4n3C)COC2)cc1;PLXFEKXUZHVCCT-UHFFFAOYSA-N;462.33;3.36;155517974;;;CHEMBL4445276;GENER;EPAM;25;0;"ph = 7.4, <a href=https://www.ebi.ac.uk/chembl/assay_report_card/CHEMBL4350236/  target=_blank>CHEMBL4350236</a>";;;;;;;;;-4.56;;;;;;;;;;;;"Mullarky E, Xu J, Robin AD, Huggins DJ, Jennings A, Noguchi N, Olland A, Lakshminarasimhan D, Miller M, Tomita D, Michino M, Su T, Zhang G, Stamford AW, Meinke PT, Kargman S, Cantley LC.: Inhibition of 3-phosphoglycerate dehydrogenase (PHGDH) by indole amides abrogates de novo serine synthesis in cancer cells. Bioorg Med Chem Lett, Volume 29 (17), 2019";ChEMBL
MM473702;MM473702;CN1CCCc2c1nc(N1CCC3(CC1)C(=O)N(CCO)c1cc(F)cc(F)c13)[nH]c2=O;AONMVAKCMAYUDD-UHFFFAOYSA-N;445.47;1.31;138594242;;;CHEMBL4445363;GENER;EPAM;25;0;"<a href=https://www.ebi.ac.uk/chembl/assay_report_card/CHEMBL4345400/  target=_blank>CHEMBL4345400</a>";;;;;;;;;-5.52;;;;;;;;;;;;"Shirai F, Mizutani A, Yashiroda Y, Tsumura T, Kano Y, Muramatsu Y, Chikada T, Yuki H, Niwa H, Sato S, Washizuka K, Koda Y, Mazaki Y, Jang MK, Yoshida H, Nagamori A, Okue M, Watanabe T, Kitamura K, Shitara E, Honma T, Umehara T, Shirouzu M, Fukami T, Seimiya H, Yoshida M, Koyama H.: Design and Discovery of an Orally Efficacious Spiroindolinone-Based Tankyrase Inhibitor for the Treatment of Colon Cancer. J Med Chem, Volume 63 (8), 2020";ChEMBL
MM472329;MM472329;C=CC(=O)N1CCC(Oc2c(N)ncnc2-c2cc(F)cc(NC(=O)c3ccc(C4CC4)cc3F)c2C)CC1;SQPBHMYMFCISEC-UHFFFAOYSA-N;533.58;5;118107478;;;CHEMBL4445790;GENER;EPAM;25;0;"ph = 6.8, <a href=https://www.ebi.ac.uk/chembl/assay_report_card/CHEMBL4358497/  target=_blank>CHEMBL4358497</a>";;;;;;;;;-4.5;;;;;;;;;;;;"Angst D, Gessier F, Janser P, Vulpetti A, Wälchli R, Beerli C, Littlewood-Evans A, Dawson J, Nuesslein-Hildesheim B, Wieczorek G, Gutmann S, Scheufler C, Hinniger A, Zimmerlin A, Funhoff EG, Pulz R, Cenni B.: Discovery of LOU064 (Remibrutinib), a Potent and Highly Selective Covalent Inhibitor of Bruton's Tyrosine Kinase. J Med Chem, Volume 63 (10), 2020";ChEMBL
MM472251;MM472251;CCN(c1cc2oc(-c3ccc(F)cc3)c(C(=O)NC)c2cc1-c1ccc(OC)c(C(=O)NC2(c3ncccn3)CC2)c1)S(C)(=O)=O;OHUDQFHGSHRNJY-UHFFFAOYSA-N;657.72;5.27;155518249;;;CHEMBL4445911;GENER;EPAM;25;0;"ph = 7.4, <a href=https://www.ebi.ac.uk/chembl/assay_report_card/CHEMBL4329907/  target=_blank>CHEMBL4329907</a>";;;;;;;;;-4.31;;;;;;;;;;;;"Yeung KS, Beno BR, Mosure K, Zhu J, Grant-Young KA, Parcella K, Anjanappa P, Bora RO, Selvakumar K, Wang YK, Fang H, Krause R, Rigat K, Liu M, Lemm J, Sheriff S, Witmer M, Tredup J, Jardel A, Kish K, Parker D, Haskell R, Santone K, Meanwell NA, Soars MG, Roberts SB, Kadow JF.: Structure-Property Basis for Solving Transporter-Mediated Efflux and Pan-Genotypic Inhibition in HCV NS5B Inhibitors. ACS Med Chem Lett, Volume 9 (12), 2018";ChEMBL
MM473678;MM473678;O=C(c1ccccc1)N1CCCC(c2cc3ncccc3[nH]2)C1;PFNLTZRVHPTCMC-UHFFFAOYSA-N;305.38;3.58;155518206;;;CHEMBL4446224;GENER;EPAM;25;0;"<a href=https://www.ebi.ac.uk/chembl/assay_report_card/CHEMBL4343676/  target=_blank>CHEMBL4343676</a>";;;;;;;;;-5.54;;;;;;;;;;;;"Koovits PJ, Dessoy MA, Matheeussen A, Maes L, Caljon G, Mowbray CE, Kratz JM, Dias LC.: Structure-activity relationship of 4-azaindole-2-piperidine derivatives as agents against Trypanosoma cruzi. Bioorg Med Chem Lett, Volume 30 (1), 2020";ChEMBL
MM474738;MM474738;COc1ccccc1S(=O)(=O)Nc1ccc2c3c(cc(-n4cnc(C)c4)nc13)C(=O)N2C;FSMTUHGXWGJNKK-UHFFFAOYSA-N;449.49;3.13;145925666;;;CHEMBL4446421;GENER;EPAM;25;0;"<a href=https://www.ebi.ac.uk/chembl/assay_report_card/CHEMBL4357144/  target=_blank>CHEMBL4357144</a>";;;;;;;;;-6.93;;;;;;;;;;;;"Jiang F, Hu Q, Zhang Z, Li H, Li H, Zhang D, Li H, Ma Y, Xu J, Chen H, Cui Y, Zhi Y, Zhang Y, Xu J, Zhu J, Lu T, Chen Y.: Discovery of Benzo[<i>cd</i>]indol-2(1<i>H</i>)-ones and Pyrrolo[4,3,2-<i>de</i>]quinolin-2(1<i>H</i>)-ones as Bromodomain and Extra-Terminal Domain (BET) Inhibitors with Selectivity for the First Bromodomain with Potential High Efficiency against Acute Gouty Arthritis. J Med Chem, Volume 62 (24), 2019";ChEMBL
MM473683;MM473683;O=C(c1cccc(C(F)(F)F)n1)N1CCCC(c2cc3ncccc3[nH]2)C1;IQZZJWFSJULHCV-UHFFFAOYSA-N;374.37;4;155518648;;;CHEMBL4446610;GENER;EPAM;25;0;"<a href=https://www.ebi.ac.uk/chembl/assay_report_card/CHEMBL4343676/  target=_blank>CHEMBL4343676</a>";;;;;;;;;-6.23;;;;;;;;;;;;"Koovits PJ, Dessoy MA, Matheeussen A, Maes L, Caljon G, Mowbray CE, Kratz JM, Dias LC.: Structure-activity relationship of 4-azaindole-2-piperidine derivatives as agents against Trypanosoma cruzi. Bioorg Med Chem Lett, Volume 30 (1), 2020";ChEMBL
MM472250;MM472250;O=C(NC1CCC(c2ccccc2)CC1)c1[nH]c(=O)n(Cc2ccccc2)c(=O)c1O;;419.48;2.75;117926681;;;CHEMBL4448686;GENER;EPAM;25;0;"ph = 5.5, <a href=https://www.ebi.ac.uk/chembl/assay_report_card/CHEMBL4327021/  target=_blank>CHEMBL4327021</a>";;;;;;;;;-4.56;;;;;;;;;;;;"Hu CH, Wang TC, Qiao JX, Haque L, Chen AYA, Taylor DS, Ying X, Onorato JM, Galella M, Shen H, Huang CS, Toussaint N, Li YX, Abell L, Adam LP, Gordon D, Wexler RR, Finlay HJ.: Discovery and synthesis of tetrahydropyrimidinedione-4-carboxamides as endothelial lipase inhibitors. Bioorg Med Chem Lett, Volume 28 (23-24), 2018";ChEMBL
MM472250;MM472250;O=C(NC1CCC(c2ccccc2)CC1)c1[nH]c(=O)n(Cc2ccccc2)c(=O)c1O;;419.48;2.75;117926681;;;CHEMBL4448686;GENER;EPAM;25;0;"ph = 7.4, <a href=https://www.ebi.ac.uk/chembl/assay_report_card/CHEMBL4327022/  target=_blank>CHEMBL4327022</a>";;;;;;;;;-4.8;;;;;;;;;;;;"Hu CH, Wang TC, Qiao JX, Haque L, Chen AYA, Taylor DS, Ying X, Onorato JM, Galella M, Shen H, Huang CS, Toussaint N, Li YX, Abell L, Adam LP, Gordon D, Wexler RR, Finlay HJ.: Discovery and synthesis of tetrahydropyrimidinedione-4-carboxamides as endothelial lipase inhibitors. Bioorg Med Chem Lett, Volume 28 (23-24), 2018";ChEMBL
MM473658;MM473658;COc1cccc(C(C)NC(=O)c2ccc(-c3ccncc3)cc2)c1;JRVSFZKYQCETAH-OAHLLOKOSA-N;332.4;4.25;51003130;;;CHEMBL4448806;GENER;EPAM;25;0;"<a href=https://www.ebi.ac.uk/chembl/assay_report_card/CHEMBL4328672/  target=_blank>CHEMBL4328672</a>";;;;;;;;;-4.71;;;;;;;;;;;;"Hobson AD, Judge RA, Aguirre AL, Brown BS, Cui Y, Ding P, Dominguez E, DiGiammarino E, Egan DA, Freiberg GM, Gopalakrishnan SM, Harris CM, Honore MP, Kage KL, Kapecki NJ, Ling C, Ma J, Mack H, Mamo M, Maurus S, McRae B, Moore NS, Mueller BK, Mueller R, Namovic MT, Patel K, Pratt SD, Putman CB, Queeney KL, Sarris KK, Schaffter LM, Stoll V, Vasudevan A, Wang L, Wang L, Wirthl W, Yach K.: Identification of Selective Dual ROCK1 and ROCK2 Inhibitors Using Structure-Based Drug Design. J Med Chem, Volume 61 (24), 2018";ChEMBL
MM473700;MM473700;O=c1[nH]c(N2CCC3(CC2)CN(CCO)c2cc(F)cc(F)c23)nc2c1CCCC2;FZQYCOUBRJEYBC-UHFFFAOYSA-N;416.47;2.28;137701512;;;CHEMBL4448872;GENER;EPAM;25;0;"<a href=https://www.ebi.ac.uk/chembl/assay_report_card/CHEMBL4345400/  target=_blank>CHEMBL4345400</a>";;;;;;;;;-5.7;;;;;;;;;;;;"Shirai F, Mizutani A, Yashiroda Y, Tsumura T, Kano Y, Muramatsu Y, Chikada T, Yuki H, Niwa H, Sato S, Washizuka K, Koda Y, Mazaki Y, Jang MK, Yoshida H, Nagamori A, Okue M, Watanabe T, Kitamura K, Shitara E, Honma T, Umehara T, Shirouzu M, Fukami T, Seimiya H, Yoshida M, Koyama H.: Design and Discovery of an Orally Efficacious Spiroindolinone-Based Tankyrase Inhibitor for the Treatment of Colon Cancer. J Med Chem, Volume 63 (8), 2020";ChEMBL
MM473704;MM473704;CC1CN(c2cc(F)c3c(c2)N(C)C(=O)C32CCN(c3nc4c(c(=O)[nH]3)CCCN4C)CC2)CC(C)O1;KZUPFZKALLNBBV-CALCHBBNSA-N;510.61;2.42;138594194;;;CHEMBL4449082;GENER;EPAM;25;0;"<a href=https://www.ebi.ac.uk/chembl/assay_report_card/CHEMBL4345400/  target=_blank>CHEMBL4345400</a>";;;;;;;;;-4.91;;;;;;;;;;;;"Shirai F, Mizutani A, Yashiroda Y, Tsumura T, Kano Y, Muramatsu Y, Chikada T, Yuki H, Niwa H, Sato S, Washizuka K, Koda Y, Mazaki Y, Jang MK, Yoshida H, Nagamori A, Okue M, Watanabe T, Kitamura K, Shitara E, Honma T, Umehara T, Shirouzu M, Fukami T, Seimiya H, Yoshida M, Koyama H.: Design and Discovery of an Orally Efficacious Spiroindolinone-Based Tankyrase Inhibitor for the Treatment of Colon Cancer. J Med Chem, Volume 63 (8), 2020";ChEMBL
MM472322;MM472322;C=CC(=O)N(C)CCC=Cc1c(N)ncnc1-c1cc(F)cc(NC(=O)c2ccc(C3CC3)cc2)c1C;NHUDINRYRMHHLR-FNORWQNLSA-N;499.59;5.35;155521132;;;CHEMBL4450082;GENER;EPAM;25;0;"ph = 6.8, <a href=https://www.ebi.ac.uk/chembl/assay_report_card/CHEMBL4358497/  target=_blank>CHEMBL4358497</a>";;;;;;;;;-4.6;;;;;;;;;;;;"Angst D, Gessier F, Janser P, Vulpetti A, Wälchli R, Beerli C, Littlewood-Evans A, Dawson J, Nuesslein-Hildesheim B, Wieczorek G, Gutmann S, Scheufler C, Hinniger A, Zimmerlin A, Funhoff EG, Pulz R, Cenni B.: Discovery of LOU064 (Remibrutinib), a Potent and Highly Selective Covalent Inhibitor of Bruton's Tyrosine Kinase. J Med Chem, Volume 63 (10), 2020";ChEMBL
MM473636;MM473636;Cc1nc(Nc2ncc(C(=O)Nc3c(C)cccc3Cl)s2)cc(N2CCN(CCOCCOCCNC(=O)C3C(C(=O)O)C(C(=O)O)C3C(=O)O)CC2)n1;CZCGARLOFSDTBA-UHFFFAOYSA-N;789.27;2.2;155522217;;;CHEMBL4451230;GENER;EPAM;25;0;"<a href=https://www.ebi.ac.uk/chembl/assay_report_card/CHEMBL4312050/  target=_blank>CHEMBL4312050</a>";;;;;;;;;-7.91;;;;;;;;;;;;"Richardson PL, Marin VL, Koeniger SL, Baranczak A, Wilsbacher JL, Kovar PJ, Bacon-Trusk PE, Cheng M, Hopkins TA, Haman ST, Vasudevan A.: Controlling cellular distribution of drugs with permeability modifying moieties. Medchemcomm, Volume 10 (6), 2019";ChEMBL
MM471783;MM471783;Cc1c(N2CCN(C)CC2)ccc2c3c(c(=O)oc12)CN(C(=O)c1ccc(NS(C)(=O)=O)cc1)CC3;GMSDHGSEWWVTBL-UHFFFAOYSA-N;510.62;2.42;155521994;;;CHEMBL4451401;GENER;EPAM;25;0;"ph = 7.4, <a href=https://www.ebi.ac.uk/chembl/assay_report_card/CHEMBL4338138/  target=_blank>CHEMBL4338138</a>";;;;;;;;;-5.27;;;;;;;;;;;;"Kawai J, Toki T, Ota M, Inoue H, Takata Y, Asahi T, Suzuki M, Shimada T, Ono K, Suzuki K, Takaishi S, Ohki H, Matsui S, Tsutsumi S, Hirota Y, Nakayama K.: Discovery of a Potent, Selective, and Orally Available MTHFD2 Inhibitor (DS18561882) with in Vivo Antitumor Activity. J Med Chem, Volume 62 (22), 2019";ChEMBL
MM473727;MM473727;COc1nc(NC(C)c2cc3cc(Cl)ccc3[nH]c2=O)ncc1C#N;QAFWVLDKBWIXLX-VIFPVBQESA-N;355.79;3.02;118953858;;;CHEMBL4451408;GENER;EPAM;25;0;"<a href=https://www.ebi.ac.uk/chembl/assay_report_card/CHEMBL4360263/  target=_blank>CHEMBL4360263</a>";;;;;;;;;-4.74;;;;;;;;;;;;"Lin J, Lu W, Caravella JA, Campbell AM, Diebold RB, Ericsson A, Fritzen E, Gustafson GR, Lancia DR, Shelekhin T, Wang Z, Castro J, Clarke A, Gotur D, Josephine HR, Katz M, Diep H, Kershaw M, Yao L, Kauffman G, Hubbs SE, Luke GP, Toms AV, Wang L, Bair KW, Barr KJ, Dinsmore C, Walker D, Ashwell S.: Discovery and Optimization of Quinolinone Derivatives as Potent, Selective, and Orally Bioavailable Mutant Isocitrate Dehydrogenase 1 (mIDH1) Inhibitors. J Med Chem, Volume 62 (14), 2019";ChEMBL
MM473695;MM473695;O=C(c1ccccc1)N1CCCC(c2cc3ncccn3n2)C1;GXMLCAAABYAZAI-UHFFFAOYSA-N;306.37;2.75;155522320;;;CHEMBL4451502;GENER;EPAM;25;0;"<a href=https://www.ebi.ac.uk/chembl/assay_report_card/CHEMBL4343676/  target=_blank>CHEMBL4343676</a>";;;;;;;;;-4.78;;;;;;;;;;;;"Koovits PJ, Dessoy MA, Matheeussen A, Maes L, Caljon G, Mowbray CE, Kratz JM, Dias LC.: Structure-activity relationship of 4-azaindole-2-piperidine derivatives as agents against Trypanosoma cruzi. Bioorg Med Chem Lett, Volume 30 (1), 2020";ChEMBL
MM472271;MM472271;Cn1c(C(=O)NC2(c3ccc(CC(=O)O)c(F)c3)COC2)cc2c(Cl)c(Cl)ccc21;QGOMLLSXYOTEPC-UHFFFAOYSA-N;451.28;3.91;155523199;;;CHEMBL4452531;GENER;EPAM;25;0;"ph = 7.4, <a href=https://www.ebi.ac.uk/chembl/assay_report_card/CHEMBL4350236/  target=_blank>CHEMBL4350236</a>";;;;;;;;;-5.35;;;;;;;;;;;;"Mullarky E, Xu J, Robin AD, Huggins DJ, Jennings A, Noguchi N, Olland A, Lakshminarasimhan D, Miller M, Tomita D, Michino M, Su T, Zhang G, Stamford AW, Meinke PT, Kargman S, Cantley LC.: Inhibition of 3-phosphoglycerate dehydrogenase (PHGDH) by indole amides abrogates de novo serine synthesis in cancer cells. Bioorg Med Chem Lett, Volume 29 (17), 2019";ChEMBL
MM473724;MM473724;CCNC(=O)c1cc2c(-c3ccccc3Cc3c(C)cccc3C)cn(C)c(=O)c2[nH]1;CESAFSCPFRQYED-UHFFFAOYSA-N;413.52;4.49;;;;;GENER;EPAM;25;0;"<a href=https://www.ebi.ac.uk/chembl/assay_report_card/CHEMBL4346341/  target=_blank>CHEMBL4346341</a>";;;;;;;;;-5.42;;;;;;;;;;;;"Sheppard GS, Wang L, Fidanze SD, Hasvold LA, Liu D, Pratt JK, Park CH, Longenecker K, Qiu W, Torrent M, Kovar PJ, Bui M, Faivre E, Huang X, Lin X, Wilcox D, Zhang L, Shen Y, Albert DH, Magoc TJ, Rajaraman G, Kati WM, McDaniel KF.: Discovery of <i>N</i>-Ethyl-4-[2-(4-fluoro-2,6-dimethyl-phenoxy)-5-(1-hydroxy-1-methyl-ethyl)phenyl]-6-methyl-7-oxo-1<i>H</i>-pyrrolo[2,3-<i>c</i>]pyridine-2-carboxamide (ABBV-744), a BET Bromodomain Inhibitor with Selectivity for the Second Bromodomain. J Med Chem, Volume 63 (10), 2020";ChEMBL
MM473654;MM473654;CCOc1cccc(CNC(=O)c2ccc(-c3ccncc3)cc2)c1;GMIZJSJFNDLUOV-UHFFFAOYSA-N;332.4;4.08;155523817;;;CHEMBL4454552;GENER;EPAM;25;0;"<a href=https://www.ebi.ac.uk/chembl/assay_report_card/CHEMBL4328672/  target=_blank>CHEMBL4328672</a>";;;;;;;;;-4.74;;;;;;;;;;;;"Hobson AD, Judge RA, Aguirre AL, Brown BS, Cui Y, Ding P, Dominguez E, DiGiammarino E, Egan DA, Freiberg GM, Gopalakrishnan SM, Harris CM, Honore MP, Kage KL, Kapecki NJ, Ling C, Ma J, Mack H, Mamo M, Maurus S, McRae B, Moore NS, Mueller BK, Mueller R, Namovic MT, Patel K, Pratt SD, Putman CB, Queeney KL, Sarris KK, Schaffter LM, Stoll V, Vasudevan A, Wang L, Wang L, Wirthl W, Yach K.: Identification of Selective Dual ROCK1 and ROCK2 Inhibitors Using Structure-Based Drug Design. J Med Chem, Volume 61 (24), 2018";ChEMBL
MM473710;MM473710;CCNC(=O)c1cc2c(-c3cc(S(=O)(=O)CC)ccc3Oc3ccc(F)cc3F)cn(C)c(=O)c2[nH]1;PAKGLIDSBPIWCA-UHFFFAOYSA-N;515.54;4.15;;;;;GENER;EPAM;25;0;"<a href=https://www.ebi.ac.uk/chembl/assay_report_card/CHEMBL4346341/  target=_blank>CHEMBL4346341</a>";;;;;;;;;-5.5;;;;;;;;;;;;"Sheppard GS, Wang L, Fidanze SD, Hasvold LA, Liu D, Pratt JK, Park CH, Longenecker K, Qiu W, Torrent M, Kovar PJ, Bui M, Faivre E, Huang X, Lin X, Wilcox D, Zhang L, Shen Y, Albert DH, Magoc TJ, Rajaraman G, Kati WM, McDaniel KF.: Discovery of <i>N</i>-Ethyl-4-[2-(4-fluoro-2,6-dimethyl-phenoxy)-5-(1-hydroxy-1-methyl-ethyl)phenyl]-6-methyl-7-oxo-1<i>H</i>-pyrrolo[2,3-<i>c</i>]pyridine-2-carboxamide (ABBV-744), a BET Bromodomain Inhibitor with Selectivity for the Second Bromodomain. J Med Chem, Volume 63 (10), 2020";ChEMBL
MM473714;MM473714;CCNC(=O)c1cc2c(-c3cc(S(=O)(=O)CC)ccc3Oc3c(C)cccc3F)cn(C)c(=O)c2[nH]1;CMCPHDRIQLBEGG-UHFFFAOYSA-N;511.58;4.32;;;;;GENER;EPAM;25;0;"<a href=https://www.ebi.ac.uk/chembl/assay_report_card/CHEMBL4346341/  target=_blank>CHEMBL4346341</a>";;;;;;;;;-4.81;;;;;;;;;;;;"Sheppard GS, Wang L, Fidanze SD, Hasvold LA, Liu D, Pratt JK, Park CH, Longenecker K, Qiu W, Torrent M, Kovar PJ, Bui M, Faivre E, Huang X, Lin X, Wilcox D, Zhang L, Shen Y, Albert DH, Magoc TJ, Rajaraman G, Kati WM, McDaniel KF.: Discovery of <i>N</i>-Ethyl-4-[2-(4-fluoro-2,6-dimethyl-phenoxy)-5-(1-hydroxy-1-methyl-ethyl)phenyl]-6-methyl-7-oxo-1<i>H</i>-pyrrolo[2,3-<i>c</i>]pyridine-2-carboxamide (ABBV-744), a BET Bromodomain Inhibitor with Selectivity for the Second Bromodomain. J Med Chem, Volume 63 (10), 2020";ChEMBL
MM472936;MM472936;CCCCc1ccc(C(=O)NC2(C(=O)NC(Cc3ccccc3)C(=O)NCC3CCN(CC4CCOCC4)CC3)CCCC2)nc1;NUEAGESSSAENGD-MGBGTMOVSA-N;631.86;4.45;44577896;;;CHEMBL445493;GENER;EPAM;25;0;"<a href=https://www.ebi.ac.uk/chembl/assay_report_card/CHEMBL967980/  target=_blank>CHEMBL967980</a>";;;;;;;;;-5.14;;;;;;;;;;;;"Porcelloni M, D'Andrea P, Altamura M, Catalioto RM, Giuliani S, Meini S, Fattori D.: Cinnamic acids and mono-substituted benzoic acids as useful capping groups for the preparation of hNK2 receptor antagonists. Bioorg Med Chem Lett, Volume 18 (16), 2008";ChEMBL
Aldosterone;MM00327;CC12CCC(=O)C=C1CCC1C2C(O)CC2(C=O)C(C(=O)CO)CCC12;PQSUYGKTWSAVDQ-ZVIOFETBSA-N;360.45;1.85;5839;DB04630;AS4;CHEMBL273453;BBB;EPAM;25;0;"<a href=https://www.ebi.ac.uk/chembl/assay_report_card/CHEMBL1004514/  target=_blank>CHEMBL1004514</a>";;;;;;;;;-6.22;;;;;;;;;;;;"Marco-Contelles J, León R, de los Ríos C, Samadi A, Bartolini M, Andrisano V, Huertas O, Barril X, Luque FJ, Rodríguez-Franco MI, López B, López MG, García AG, Carreiras Mdo C, Villarroya M.: Tacripyrines, the first tacrine-dihydropyridine hybrids, as multitarget-directed ligands for the treatment of Alzheimer's disease. J Med Chem, Volume 52 (9), 2009";ChEMBL
MM472513;MM472513;Cn1c(C(=O)NC2(c3ccc(C(=O)O)c(F)c3)COC2)cc2c(Cl)c(Cl)ccc21;XLDBOXXVXATLAQ-UHFFFAOYSA-N;437.25;3.98;155525342;;;CHEMBL4455598;GENER;EPAM;25;0;"ph = 5, <a href=https://www.ebi.ac.uk/chembl/assay_report_card/CHEMBL4350239/  target=_blank>CHEMBL4350239</a>";;;;;;;;;-4.82;;;;;;;;;;;;"Mullarky E, Xu J, Robin AD, Huggins DJ, Jennings A, Noguchi N, Olland A, Lakshminarasimhan D, Miller M, Tomita D, Michino M, Su T, Zhang G, Stamford AW, Meinke PT, Kargman S, Cantley LC.: Inhibition of 3-phosphoglycerate dehydrogenase (PHGDH) by indole amides abrogates de novo serine synthesis in cancer cells. Bioorg Med Chem Lett, Volume 29 (17), 2019";ChEMBL
MM471803;MM471803;CCCC1(C(=O)O)CCc2c1[nH]c1c(Cl)ccc(Cl)c21;ZEBPOFKSMDBBIP-UHFFFAOYSA-N;312.2;4.54;;;;;GENER;EPAM;25;0;"ph = 7.4, <a href=https://www.ebi.ac.uk/chembl/assay_report_card/CHEMBL869586/  target=_blank>CHEMBL869586</a>";;;;;;;;;-5.19;;;;;;;;;;;;"Gopalsamy A, Shi M, Ciszewski G, Park K, Ellingboe JW, Orlowski M, Feld B, Howe AY.: Design and synthesis of 2,3,4,9-tetrahydro-1H-carbazole and 1,2,3,4-tetrahydro-cyclopenta[b]indole derivatives as non-nucleoside inhibitors of hepatitis C virus NS5B RNA-dependent RNA polymerase. Bioorg Med Chem Lett, Volume 16 (9), 2006";ChEMBL
MM471762;MM471762;Cc1cccc(Nc2nc(NC3CCCCC3N)c(C#N)cc2C(N)=O)c1;XAMCCSYNPOEISO-DLBZAZTESA-N;364.45;2.79;69284028;;;CHEMBL4457164;GENER;EPAM;25;0;"ph = 7.4, <a href=https://www.ebi.ac.uk/chembl/assay_report_card/CHEMBL4305540/  target=_blank>CHEMBL4305540</a>";;;;;;;;;-4.8;;;;;;;;;;;;"Taniguchi T, Inagaki H, Baba D, Yasumatsu I, Toyota A, Kaneta Y, Kiga M, Iimura S, Odagiri T, Shibata Y, Ueda K, Seo M, Shimizu H, Imaoka T, Nakayama K.: Discovery of Novel Pyrido-pyridazinone Derivatives as FER Tyrosine Kinase Inhibitors with Antitumor Activity. ACS Med Chem Lett, Volume 10 (5), 2019";ChEMBL
MM472266;MM472266;CC(C)N(C)C1CCC(N2CCC(Nc3ncnc4ccc(C(F)(F)F)cc34)C2=O)C(NS(C)(=O)=O)C1;PJTGSIKANITYOO-RCOXNQKVSA-N;542.63;2.84;154572822;;;CHEMBL4457723;GENER;EPAM;25;0;"ph = 7.4, <a href=https://www.ebi.ac.uk/chembl/assay_report_card/CHEMBL4339727/  target=_blank>CHEMBL4339727</a>";;;;;;;;;-4.4;;;;;;;;;;;;"Yang MG, Xiao Z, Cherney RJ, Tebben AJ, Batt DG, Brown GD, Chen J, Cvijic ME, Dabros M, Duncia JV, Galella M, Gardner DS, Khandelwal P, Ko SS, Malley MF, Mo R, Pang J, Rose AV, Santella JB, Shi H, Srivastava A, Traeger SC, Wang B, Xu S, Zhao R, Barrish JC, Mandlekar S, Zhao Q, Carter PH.: Use of a Conformational-Switching Mechanism to Modulate Exposed Polarity: Discovery of CCR2 Antagonist BMS-741672. ACS Med Chem Lett, Volume 10 (3), 2019";ChEMBL
MM473725;MM473725;CCNC(=O)c1cc2c(-c3cc(S(=O)(=O)CC)ccc3-c3c(C)cccc3C)cn(C)c(=O)c2[nH]1;FSBNPJYGIOIOPL-UHFFFAOYSA-N;491.61;4.36;;;;;GENER;EPAM;25;0;"<a href=https://www.ebi.ac.uk/chembl/assay_report_card/CHEMBL4346341/  target=_blank>CHEMBL4346341</a>";;;;;;;;;-5.05;;;;;;;;;;;;"Sheppard GS, Wang L, Fidanze SD, Hasvold LA, Liu D, Pratt JK, Park CH, Longenecker K, Qiu W, Torrent M, Kovar PJ, Bui M, Faivre E, Huang X, Lin X, Wilcox D, Zhang L, Shen Y, Albert DH, Magoc TJ, Rajaraman G, Kati WM, McDaniel KF.: Discovery of <i>N</i>-Ethyl-4-[2-(4-fluoro-2,6-dimethyl-phenoxy)-5-(1-hydroxy-1-methyl-ethyl)phenyl]-6-methyl-7-oxo-1<i>H</i>-pyrrolo[2,3-<i>c</i>]pyridine-2-carboxamide (ABBV-744), a BET Bromodomain Inhibitor with Selectivity for the Second Bromodomain. J Med Chem, Volume 63 (10), 2020";ChEMBL
MM474731;MM474731;NCCS(=O)(=O)N1CCC(c2c[nH]c3c(C(N)=O)cc(-c4ccccc4)cc23)CC1;AWEOCCDQVPBWPZ-UHFFFAOYSA-N;426.54;2.4;11611619;;;CHEMBL4457925;GENER;EPAM;25;0;"<a href=https://www.ebi.ac.uk/chembl/assay_report_card/CHEMBL4329666/  target=_blank>CHEMBL4329666</a>";;;;;;;;;-6.52;;;;;;;;;;;;"Kerns JK, Busch-Petersen J, Fu W, Boehm JC, Nie H, Muratore M, Bullion A, Lin G, Li H, Davis R, Lin X, Lakdawala AS, Cousins R, Field R, Payne J, Miller DD, Bamborough P, Christopher JA, Baldwin I, Osborn RR, Yonchuk J, Webb E, Rumsey WL.: 3,5-Disubstituted-indole-7-carboxamides as IKKβ Inhibitors: Optimization of Oral Activity via the C3 Substituent. ACS Med Chem Lett, Volume 9 (12), 2018";ChEMBL
MM473699;MM473699;NCc1cccc(C2CCN(C(=O)C=Cc3ccc(O)c(O)c3)CC2)c1;VOAAOCWLJBGRLO-FNORWQNLSA-N;352.43;2.98;52933710;;;CHEMBL4459083;GENER;EPAM;25;0;"<a href=https://www.ebi.ac.uk/chembl/assay_report_card/CHEMBL4344458/  target=_blank>CHEMBL4344458</a>";;;;;;;;;-8;;;;;;;;;;;;"Giardina SF, Werner DS, Pingle M, Feinberg PB, Foreman KW, Bergstrom DE, Arnold LD, Barany F.: Novel, Self-Assembling Dimeric Inhibitors of Human β Tryptase. J Med Chem, Volume 63 (6), 2020";ChEMBL
MM473659;MM473659;COc1cccc(C(C)NC(=O)c2ccc(-c3ccnc(F)c3)cc2)c1;JEFRBITWIOXMNQ-CQSZACIVSA-N;350.39;4.39;68515257;;;CHEMBL4459800;GENER;EPAM;25;0;"<a href=https://www.ebi.ac.uk/chembl/assay_report_card/CHEMBL4328672/  target=_blank>CHEMBL4328672</a>";;;;;;;;;-4.83;;;;;;;;;;;;"Hobson AD, Judge RA, Aguirre AL, Brown BS, Cui Y, Ding P, Dominguez E, DiGiammarino E, Egan DA, Freiberg GM, Gopalakrishnan SM, Harris CM, Honore MP, Kage KL, Kapecki NJ, Ling C, Ma J, Mack H, Mamo M, Maurus S, McRae B, Moore NS, Mueller BK, Mueller R, Namovic MT, Patel K, Pratt SD, Putman CB, Queeney KL, Sarris KK, Schaffter LM, Stoll V, Vasudevan A, Wang L, Wang L, Wirthl W, Yach K.: Identification of Selective Dual ROCK1 and ROCK2 Inhibitors Using Structure-Based Drug Design. J Med Chem, Volume 61 (24), 2018";ChEMBL
MM473689;MM473689;CC(C)(C)c1cc(C(=O)N2CCCC(c3cc4ncccc4[nH]3)C2)on1;SEEMNNCNSOUAFK-UHFFFAOYSA-N;352.44;3.87;155527689;;;CHEMBL4460126;GENER;EPAM;25;0;"<a href=https://www.ebi.ac.uk/chembl/assay_report_card/CHEMBL4343676/  target=_blank>CHEMBL4343676</a>";;;;;;;;;-5.53;;;;;;;;;;;;"Koovits PJ, Dessoy MA, Matheeussen A, Maes L, Caljon G, Mowbray CE, Kratz JM, Dias LC.: Structure-activity relationship of 4-azaindole-2-piperidine derivatives as agents against Trypanosoma cruzi. Bioorg Med Chem Lett, Volume 30 (1), 2020";ChEMBL
MM473661;MM473661;COc1cccc(C(C)NC(=O)c2ccc(-c3ccncn3)cc2)c1;MBRVCJRFWYHVHE-CQSZACIVSA-N;333.39;3.64;155527821;;;CHEMBL4460511;GENER;EPAM;25;0;"<a href=https://www.ebi.ac.uk/chembl/assay_report_card/CHEMBL4328672/  target=_blank>CHEMBL4328672</a>";;;;;;;;;-4.71;;;;;;;;;;;;"Hobson AD, Judge RA, Aguirre AL, Brown BS, Cui Y, Ding P, Dominguez E, DiGiammarino E, Egan DA, Freiberg GM, Gopalakrishnan SM, Harris CM, Honore MP, Kage KL, Kapecki NJ, Ling C, Ma J, Mack H, Mamo M, Maurus S, McRae B, Moore NS, Mueller BK, Mueller R, Namovic MT, Patel K, Pratt SD, Putman CB, Queeney KL, Sarris KK, Schaffter LM, Stoll V, Vasudevan A, Wang L, Wang L, Wirthl W, Yach K.: Identification of Selective Dual ROCK1 and ROCK2 Inhibitors Using Structure-Based Drug Design. J Med Chem, Volume 61 (24), 2018";ChEMBL
9-hyroxyethoxymethylguanine;MM00074;Nc1nc(=O)c2ncn(COCCO)c2[nH]1;MKUXAQIIEYXACX-UHFFFAOYSA-N;225.21;-1.33;2022;DB00787;AC2;CHEMBL184;GENER;EPAM;25;0;"<a href=https://www.ebi.ac.uk/chembl/assay_report_card/CHEMBL902035/  target=_blank>CHEMBL902035</a>";;;;;;;;;-8;;;;;;;;;;;;"Chatterjee J, Ovadia O, Zahn G, Marinelli L, Hoffman A, Gilon C, Kessler H.: Multiple N-methylation by a designed approach enhances receptor selectivity. J Med Chem, Volume 50 (24), 2007";ChEMBL
MM474723;MM474723;c1ccc(CCc2nc3ncc(-c4ccco4)cc3[nH]2)cc1;ZZFHGBAWBUYRGR-UHFFFAOYSA-N;289.34;4;23025554;;;CHEMBL4461223;GENER;EPAM;25;0;"<a href=https://www.ebi.ac.uk/chembl/assay_report_card/CHEMBL4323082/  target=_blank>CHEMBL4323082</a>";;;;;;;;;-4.48;;;;;;;;;;;;"Takada H, Kaieda A, Tawada M, Nagino T, Sasa K, Oikawa T, Oki A, Sameshima T, Miyamoto K, Miyamoto M, Kokubu Y, Tozawa R, Sakurai H, Saito B.: Identification of 2,6-Disubstituted 3H-Imidazo[4,5-b]pyridines as Therapeutic Agents for Dysferlinopathies through Phenotypic Screening on Patient-Derived Induced Pluripotent Stem Cells. J Med Chem, Volume 62 (20), 2019";ChEMBL
9-hyroxyethoxymethylguanine;MM00074;Nc1nc(=O)c2ncn(COCCO)c2[nH]1;MKUXAQIIEYXACX-UHFFFAOYSA-N;225.21;-1.33;2022;DB00787;AC2;CHEMBL184;GENER;EPAM;25;0;"ph = 6.5, <a href=https://www.ebi.ac.uk/chembl/assay_report_card/CHEMBL1046150/  target=_blank>CHEMBL1046150</a>";;;;;;;;;-6.1;;;;;;;;;;;;"Tam KY, Avdeef A, Tsinman O, Sun N.: The permeation of amphoteric drugs through artificial membranes--an in combo absorption model based on paracellular and transmembrane permeability. J Med Chem, Volume 53 (1), 392-401, 2010";ChEMBL
MM473720;MM473720;CCNC(=O)c1cc2c(-c3cc(S(=O)(=O)CC)ccc3Oc3cc(C)cc(C)c3)cn(C)c(=O)c2[nH]1;TXUGGVDAFKSHBC-UHFFFAOYSA-N;507.61;4.49;;;;;GENER;EPAM;25;0;"<a href=https://www.ebi.ac.uk/chembl/assay_report_card/CHEMBL4346341/  target=_blank>CHEMBL4346341</a>";;;;;;;;;-5.51;;;;;;;;;;;;"Sheppard GS, Wang L, Fidanze SD, Hasvold LA, Liu D, Pratt JK, Park CH, Longenecker K, Qiu W, Torrent M, Kovar PJ, Bui M, Faivre E, Huang X, Lin X, Wilcox D, Zhang L, Shen Y, Albert DH, Magoc TJ, Rajaraman G, Kati WM, McDaniel KF.: Discovery of <i>N</i>-Ethyl-4-[2-(4-fluoro-2,6-dimethyl-phenoxy)-5-(1-hydroxy-1-methyl-ethyl)phenyl]-6-methyl-7-oxo-1<i>H</i>-pyrrolo[2,3-<i>c</i>]pyridine-2-carboxamide (ABBV-744), a BET Bromodomain Inhibitor with Selectivity for the Second Bromodomain. J Med Chem, Volume 63 (10), 2020";ChEMBL
MM472328;MM472328;C=CC(=O)NCCNc1c(N)ncnc1-c1cc(F)cc(NC(=O)c2ccc(C3CC3)cc2F)c1C;FVQUOEZXDHJLST-UHFFFAOYSA-N;492.53;4.16;155528210;;;CHEMBL4461398;GENER;EPAM;25;0;"ph = 6.8, <a href=https://www.ebi.ac.uk/chembl/assay_report_card/CHEMBL4358497/  target=_blank>CHEMBL4358497</a>";;;;;;;;;-5.8;;;;;;;;;;;;"Angst D, Gessier F, Janser P, Vulpetti A, Wälchli R, Beerli C, Littlewood-Evans A, Dawson J, Nuesslein-Hildesheim B, Wieczorek G, Gutmann S, Scheufler C, Hinniger A, Zimmerlin A, Funhoff EG, Pulz R, Cenni B.: Discovery of LOU064 (Remibrutinib), a Potent and Highly Selective Covalent Inhibitor of Bruton's Tyrosine Kinase. J Med Chem, Volume 63 (10), 2020";ChEMBL
MM474727;MM474727;NC(=O)c1cc(-c2ccccc2)cc2c(C3CCN(S(=O)(=O)CCCN4CCCCC4)CC3)c[nH]c12;VPANJYSDPHFHOO-UHFFFAOYSA-N;508.69;4.32;11555269;;;CHEMBL4462412;GENER;EPAM;25;0;"<a href=https://www.ebi.ac.uk/chembl/assay_report_card/CHEMBL4329666/  target=_blank>CHEMBL4329666</a>";;;;;;;;;-4.62;;;;;;;;;;;;"Kerns JK, Busch-Petersen J, Fu W, Boehm JC, Nie H, Muratore M, Bullion A, Lin G, Li H, Davis R, Lin X, Lakdawala AS, Cousins R, Field R, Payne J, Miller DD, Bamborough P, Christopher JA, Baldwin I, Osborn RR, Yonchuk J, Webb E, Rumsey WL.: 3,5-Disubstituted-indole-7-carboxamides as IKKβ Inhibitors: Optimization of Oral Activity via the C3 Substituent. ACS Med Chem Lett, Volume 9 (12), 2018";ChEMBL
MM474394;MM474394;COc1ccc2cc3[n+](cc2c1OC)CCc1cc2c(cc1-3)OCO2;YBHILYKTIRIUTE-UHFFFAOYSA-N;336.37;3.1;;;;;BBB;EPAM;25;+1,-0;"<a href=https://www.ebi.ac.uk/chembl/assay_report_card/CHEMBL4334136/  target=_blank>CHEMBL4334136</a>";;;;;;;;;-7;;;;;;;;;;;;"Hostalkova A, Marikova J, Opletal L, Korabecny J, Hulcova D, Kunes J, Novakova L, Perez DI, Jun D, Kucera T, Andrisano V, Siatka T, Cahlikova L.: Isoquinoline Alkaloids from Berberis vulgaris as Potential Lead Compounds for the Treatment of Alzheimer's Disease. J Nat Prod, Volume 82 (2), 2019";ChEMBL
MM473717;MM473717;CCNC(=O)c1cc2c(-c3cc(S(=O)(=O)CC)ccc3Oc3c(C)cccc3C)cn(C)c(=O)c2[nH]1;OPEBMJVHBSSVLY-UHFFFAOYSA-N;507.61;4.49;;;;;GENER;EPAM;25;0;"<a href=https://www.ebi.ac.uk/chembl/assay_report_card/CHEMBL4346341/  target=_blank>CHEMBL4346341</a>";;;;;;;;;-5.11;;;;;;;;;;;;"Sheppard GS, Wang L, Fidanze SD, Hasvold LA, Liu D, Pratt JK, Park CH, Longenecker K, Qiu W, Torrent M, Kovar PJ, Bui M, Faivre E, Huang X, Lin X, Wilcox D, Zhang L, Shen Y, Albert DH, Magoc TJ, Rajaraman G, Kati WM, McDaniel KF.: Discovery of <i>N</i>-Ethyl-4-[2-(4-fluoro-2,6-dimethyl-phenoxy)-5-(1-hydroxy-1-methyl-ethyl)phenyl]-6-methyl-7-oxo-1<i>H</i>-pyrrolo[2,3-<i>c</i>]pyridine-2-carboxamide (ABBV-744), a BET Bromodomain Inhibitor with Selectivity for the Second Bromodomain. J Med Chem, Volume 63 (10), 2020";ChEMBL
MM473691;MM473691;CC(C)(O)c1cc(C(=O)N2CCCC(c3cc4ncccc4[nH]3)C2)on1;ALQNTWYDXLVNEG-UHFFFAOYSA-N;354.41;2.8;155529693;;;CHEMBL4463006;GENER;EPAM;25;0;"<a href=https://www.ebi.ac.uk/chembl/assay_report_card/CHEMBL4343676/  target=_blank>CHEMBL4343676</a>";;;;;;;;;-6.35;;;;;;;;;;;;"Koovits PJ, Dessoy MA, Matheeussen A, Maes L, Caljon G, Mowbray CE, Kratz JM, Dias LC.: Structure-activity relationship of 4-azaindole-2-piperidine derivatives as agents against Trypanosoma cruzi. Bioorg Med Chem Lett, Volume 30 (1), 2020";ChEMBL
MM472262;MM472262;CC(C)N(C)C1CCC(N2CCC(NC(=O)c3cccc(C(F)(F)F)c3)C2=O)C(NS(C)(=O)=O)C1;KCGHNEUWTNNXMF-WCIQWLHISA-N;518.6;2.22;155529593;;;CHEMBL4463290;GENER;EPAM;25;0;"ph = 7.4, <a href=https://www.ebi.ac.uk/chembl/assay_report_card/CHEMBL4339727/  target=_blank>CHEMBL4339727</a>";;;;;;;;;-4.23;;;;;;;;;;;;"Yang MG, Xiao Z, Cherney RJ, Tebben AJ, Batt DG, Brown GD, Chen J, Cvijic ME, Dabros M, Duncia JV, Galella M, Gardner DS, Khandelwal P, Ko SS, Malley MF, Mo R, Pang J, Rose AV, Santella JB, Shi H, Srivastava A, Traeger SC, Wang B, Xu S, Zhao R, Barrish JC, Mandlekar S, Zhao Q, Carter PH.: Use of a Conformational-Switching Mechanism to Modulate Exposed Polarity: Discovery of CCR2 Antagonist BMS-741672. ACS Med Chem Lett, Volume 10 (3), 2019";ChEMBL
Cimetidine;MM00463;CN=C(NC#N)NCCSCc1nc[nH]c1C;AQIXAKUUQRKLND-UHFFFAOYSA-N;252.35;0.6;2756;DB00501;;CHEMBL30;BBB;EPAM;25;0;"<a href=https://www.ebi.ac.uk/chembl/assay_report_card/CHEMBL3383778/  target=_blank>CHEMBL3383778</a>";;;;;;;;;-6.15;;;;;;;;;;;;"Sola I, Artigas A, Taylor MC, Gbedema SY, Pérez B, Clos MV, Wright CW, Kelly JM, Muñoz-Torrero D.: Synthesis and antiprotozoal activity of oligomethylene- and  p-phenylene-bis(methylene)-linked bis(+)-huprines. Bioorg Med Chem Lett, Volume 24 (23), 2014";ChEMBL
MM473639;MM473639;Cc1nn(CCOCCOCCN)cc1-c1ccc2cc(CCN3CCCC3C)ccc2n1;NJNBEEGJKOFJCB-HXUWFJFHSA-N;451.62;3.43;155529825;;;CHEMBL4463918;GENER;EPAM;25;0;"<a href=https://www.ebi.ac.uk/chembl/assay_report_card/CHEMBL4312050/  target=_blank>CHEMBL4312050</a>";;;;;;;;;-7.61;;;;;;;;;;;;"Richardson PL, Marin VL, Koeniger SL, Baranczak A, Wilsbacher JL, Kovar PJ, Bacon-Trusk PE, Cheng M, Hopkins TA, Haman ST, Vasudevan A.: Controlling cellular distribution of drugs with permeability modifying moieties. Medchemcomm, Volume 10 (6), 2019";ChEMBL
Cimetidine;MM00463;CN=C(NC#N)NCCSCc1nc[nH]c1C;AQIXAKUUQRKLND-UHFFFAOYSA-N;252.35;0.6;2756;DB00501;;CHEMBL30;BBB;EPAM;25;0;"<a href=https://www.ebi.ac.uk/chembl/assay_report_card/CHEMBL1833719/  target=_blank>CHEMBL1833719</a>";;;;;;;;;-6.4;;;;;;;;;;;;"Tang H, Zhao LZ, Zhao HT, Huang SL, Zhong SM, Qin JK, Chen ZF, Huang ZS, Liang H.: Hybrids of oxoisoaporphine-tacrine congeners: novel acetylcholinesterase and acetylcholinesterase-induced β-amyloid aggregation inhibitors. Eur J Med Chem, Volume 46 (10), 2011";ChEMBL
MM472510;MM472510;Cc1c(N2CCN(C)C(C)C2)ccc2c3c(c(=O)oc12)CN(C(=O)c1ccc(NS(C)(=O)=O)c(OC(F)(F)F)c1)CC3;OQKAKSSZSQPTDZ-INIZCTEOSA-N;608.64;3.71;139486677;;;CHEMBL4463968;GENER;EPAM;25;0;"ph = 5, <a href=https://www.ebi.ac.uk/chembl/assay_report_card/CHEMBL4338155/  target=_blank>CHEMBL4338155</a>";;;;;;;;;-4.76;;;;;;;;;;;;"Kawai J, Toki T, Ota M, Inoue H, Takata Y, Asahi T, Suzuki M, Shimada T, Ono K, Suzuki K, Takaishi S, Ohki H, Matsui S, Tsutsumi S, Hirota Y, Nakayama K.: Discovery of a Potent, Selective, and Orally Available MTHFD2 Inhibitor (DS18561882) with in Vivo Antitumor Activity. J Med Chem, Volume 62 (22), 2019";ChEMBL
Cimetidine;MM00463;CN=C(NC#N)NCCSCc1nc[nH]c1C;AQIXAKUUQRKLND-UHFFFAOYSA-N;252.35;0.6;2756;DB00501;;CHEMBL30;BBB;EPAM;25;0;"<a href=https://www.ebi.ac.uk/chembl/assay_report_card/CHEMBL3364959/  target=_blank>CHEMBL3364959</a>";;;;;;;;;-6.15;;;;;;;;;;;;"Di Pietro O, Pérez-Areales FJ, Juárez-Jiménez J, Espargaró A, Clos MV, Pérez B, Lavilla R, Sabaté R, Luque FJ, Muñoz-Torrero D.: Tetrahydrobenzo[h][1,6]naphthyridine-6-chlorotacrine hybrids as a new family of anti-Alzheimer agents targeting β-amyloid, tau, and cholinesterase pathologies. Eur J Med Chem, Volume 84, 2014";ChEMBL
MM472263;MM472263;CC(C)N(C)C1CCC(N2CCC(NC(=O)c3cccc(C(F)(F)F)c3)C2=O)C(N(C)S(C)(=O)=O)C1;QOMDNJVIZCGTRR-IVAOSVALSA-N;532.63;2.56;155531379;;;CHEMBL4465351;GENER;EPAM;25;0;"ph = 7.4, <a href=https://www.ebi.ac.uk/chembl/assay_report_card/CHEMBL4339727/  target=_blank>CHEMBL4339727</a>";;;;;;;;;-5.19;;;;;;;;;;;;"Yang MG, Xiao Z, Cherney RJ, Tebben AJ, Batt DG, Brown GD, Chen J, Cvijic ME, Dabros M, Duncia JV, Galella M, Gardner DS, Khandelwal P, Ko SS, Malley MF, Mo R, Pang J, Rose AV, Santella JB, Shi H, Srivastava A, Traeger SC, Wang B, Xu S, Zhao R, Barrish JC, Mandlekar S, Zhao Q, Carter PH.: Use of a Conformational-Switching Mechanism to Modulate Exposed Polarity: Discovery of CCR2 Antagonist BMS-741672. ACS Med Chem Lett, Volume 10 (3), 2019";ChEMBL
MM473665;MM473665;COc1cccc(C(C)NC(=O)c2ccc(-c3ccncn3)cc2N2CCCC(CN)C2)c1;GVEIJKANJLOMJH-MOPGFXCFSA-N;445.57;3.82;155531372;;;CHEMBL4465725;GENER;EPAM;25;0;"<a href=https://www.ebi.ac.uk/chembl/assay_report_card/CHEMBL4328672/  target=_blank>CHEMBL4328672</a>";;;;;;;;;-5.6;;;;;;;;;;;;"Hobson AD, Judge RA, Aguirre AL, Brown BS, Cui Y, Ding P, Dominguez E, DiGiammarino E, Egan DA, Freiberg GM, Gopalakrishnan SM, Harris CM, Honore MP, Kage KL, Kapecki NJ, Ling C, Ma J, Mack H, Mamo M, Maurus S, McRae B, Moore NS, Mueller BK, Mueller R, Namovic MT, Patel K, Pratt SD, Putman CB, Queeney KL, Sarris KK, Schaffter LM, Stoll V, Vasudevan A, Wang L, Wang L, Wirthl W, Yach K.: Identification of Selective Dual ROCK1 and ROCK2 Inhibitors Using Structure-Based Drug Design. J Med Chem, Volume 61 (24), 2018";ChEMBL
MM474728;MM474728;NC(=O)c1cc(-c2ccccc2)cc2c(C3CCN(S(=O)(=O)CCCN4CCOCC4)CC3)c[nH]c12;GMIQJWKIKIPZJZ-UHFFFAOYSA-N;510.66;3.17;11598695;;;CHEMBL4465957;GENER;EPAM;25;0;"<a href=https://www.ebi.ac.uk/chembl/assay_report_card/CHEMBL4329666/  target=_blank>CHEMBL4329666</a>";;;;;;;;;-4.5;;;;;;;;;;;;"Kerns JK, Busch-Petersen J, Fu W, Boehm JC, Nie H, Muratore M, Bullion A, Lin G, Li H, Davis R, Lin X, Lakdawala AS, Cousins R, Field R, Payne J, Miller DD, Bamborough P, Christopher JA, Baldwin I, Osborn RR, Yonchuk J, Webb E, Rumsey WL.: 3,5-Disubstituted-indole-7-carboxamides as IKKβ Inhibitors: Optimization of Oral Activity via the C3 Substituent. ACS Med Chem Lett, Volume 9 (12), 2018";ChEMBL
MM471369;MM471369;O=C(NCc1ccncc1)C1CCN(C(=O)c2cc3ccccc3n2Cc2ccc(Cl)cc2)CC1;BRQPUXDVOBPOFK-UHFFFAOYSA-N;487;4.91;57386067;;;CHEMBL3085779;BBB;EPAM;25;0;"ph = 7.4, <a href=https://www.ebi.ac.uk/chembl/assay_report_card/CHEMBL3090143/  target=_blank>CHEMBL3090143</a>";;;;;;;;;-4.16;;;;;;;;;;;;"Sindac JA, Barraza SJ, Dobry CJ, Xiang J, Blakely PK, Irani DN, Keep RF, Miller DJ, Larsen SD.: Optimization of novel indole-2-carboxamide inhibitors of neurotropic alphavirus replication. J Med Chem, Volume 56 (22), 2013";ChEMBL
MM472881;MM472881;Cc1ncnc2c1c1c(ccn1C)n2C1OC(CO)C(O)C1O;FFIKXEFPABQZHN-QGMIFYJMSA-N;318.33;-0.16;134229912;;;CHEMBL4467186;GENER;EPAM;25;0;"<a href=https://www.ebi.ac.uk/chembl/assay_report_card/CHEMBL4330289/  target=_blank>CHEMBL4330289</a>";;;;;;;;;-6.87;;;;;;;;;;;;"Tokarenko A, Lišková B, Smoleń S, Táborská N, Tichý M, Gurská S, Perlíková P, Frydrych I, Tloušt'ová E, Znojek P, Mertlíková-Kaiserová H, Poštová Slavětínská L, Pohl R, Klepetářová B, Khalid NU, Wenren Y, Laposa RR, Džubák P, Hajdúch M, Hocek M.: Synthesis and Cytotoxic and Antiviral Profiling of Pyrrolo- and Furo-Fused 7-Deazapurine Ribonucleosides. J Med Chem, Volume 61 (20), 2018";ChEMBL
MM471356;MM471356;O=C(NCCc1ccncc1)C1CCN(C(=O)NCCc2ccc(Cl)cc2)CC1;LSKKUAKLDGHLNU-UHFFFAOYSA-N;414.94;3.06;72737226;;;CHEMBL3085910;BBB;EPAM;25;0;"ph = 7.4, <a href=https://www.ebi.ac.uk/chembl/assay_report_card/CHEMBL3090143/  target=_blank>CHEMBL3090143</a>";;;;;;;;;-4.85;;;;;;;;;;;;"Sindac JA, Barraza SJ, Dobry CJ, Xiang J, Blakely PK, Irani DN, Keep RF, Miller DJ, Larsen SD.: Optimization of novel indole-2-carboxamide inhibitors of neurotropic alphavirus replication. J Med Chem, Volume 56 (22), 2013";ChEMBL
MM472330;MM472330;C=CC(=O)N1CCCC1COc1c(N)ncnc1-c1cc(F)cc(NC(=O)c2ccc(C3CC3)cc2F)c1C;ZJMZNFQDSWTHLP-HXUWFJFHSA-N;533.58;5;155533061;;;CHEMBL4468095;GENER;EPAM;25;0;"ph = 6.8, <a href=https://www.ebi.ac.uk/chembl/assay_report_card/CHEMBL4358497/  target=_blank>CHEMBL4358497</a>";;;;;;;;;-3.9;;;;;;;;;;;;"Angst D, Gessier F, Janser P, Vulpetti A, Wälchli R, Beerli C, Littlewood-Evans A, Dawson J, Nuesslein-Hildesheim B, Wieczorek G, Gutmann S, Scheufler C, Hinniger A, Zimmerlin A, Funhoff EG, Pulz R, Cenni B.: Discovery of LOU064 (Remibrutinib), a Potent and Highly Selective Covalent Inhibitor of Bruton's Tyrosine Kinase. J Med Chem, Volume 63 (10), 2020";ChEMBL
MM471355;MM471355;O=C(NCCc1ccncc1)C1CCN(C(=O)c2cc3cc(F)ccc3n2Cc2ccc(Cl)cc2)CC1;AKJJKODNPYAKOH-UHFFFAOYSA-N;519.02;5.09;72737423;;;CHEMBL3085915;BBB;EPAM;25;0;"ph = 7.4, <a href=https://www.ebi.ac.uk/chembl/assay_report_card/CHEMBL3090143/  target=_blank>CHEMBL3090143</a>";;;;;;;;;-4.11;;;;;;;;;;;;"Sindac JA, Barraza SJ, Dobry CJ, Xiang J, Blakely PK, Irani DN, Keep RF, Miller DJ, Larsen SD.: Optimization of novel indole-2-carboxamide inhibitors of neurotropic alphavirus replication. J Med Chem, Volume 56 (22), 2013";ChEMBL
MM471354;MM471354;O=C(NCCc1ccncc1)C1CCN(C(=O)c2cc3ccncc3n2Cc2ccc(Cl)cc2)CC1;AUYNKDSJDYLQDD-UHFFFAOYSA-N;502.02;4.34;72737424;;;CHEMBL3085916;BBB;EPAM;25;0;"ph = 7.4, <a href=https://www.ebi.ac.uk/chembl/assay_report_card/CHEMBL3090143/  target=_blank>CHEMBL3090143</a>";;;;;;;;;-5.52;;;;;;;;;;;;"Sindac JA, Barraza SJ, Dobry CJ, Xiang J, Blakely PK, Irani DN, Keep RF, Miller DJ, Larsen SD.: Optimization of novel indole-2-carboxamide inhibitors of neurotropic alphavirus replication. J Med Chem, Volume 56 (22), 2013";ChEMBL
MM471353;MM471353;O=C(NCCc1ccncc1)C1CCN(C(=O)c2cc(F)cn2Cc2ccc(Cl)cc2)CC1;CKPIZHBIHKMYHG-UHFFFAOYSA-N;468.96;3.94;72737425;;;CHEMBL3085917;BBB;EPAM;25;0;"ph = 7.4, <a href=https://www.ebi.ac.uk/chembl/assay_report_card/CHEMBL3090143/  target=_blank>CHEMBL3090143</a>";;;;;;;;;-4.9;;;;;;;;;;;;"Sindac JA, Barraza SJ, Dobry CJ, Xiang J, Blakely PK, Irani DN, Keep RF, Miller DJ, Larsen SD.: Optimization of novel indole-2-carboxamide inhibitors of neurotropic alphavirus replication. J Med Chem, Volume 56 (22), 2013";ChEMBL
MM473668;MM473668;CCCOc1cccc(C(C)NC(=O)c2ccc(-c3ccncc3)cc2)c1;VAMDLIMJLAPZGX-QGZVFWFLSA-N;360.46;5.03;155533862;;;CHEMBL4469434;GENER;EPAM;25;0;"<a href=https://www.ebi.ac.uk/chembl/assay_report_card/CHEMBL4328672/  target=_blank>CHEMBL4328672</a>";;;;;;;;;-4.73;;;;;;;;;;;;"Hobson AD, Judge RA, Aguirre AL, Brown BS, Cui Y, Ding P, Dominguez E, DiGiammarino E, Egan DA, Freiberg GM, Gopalakrishnan SM, Harris CM, Honore MP, Kage KL, Kapecki NJ, Ling C, Ma J, Mack H, Mamo M, Maurus S, McRae B, Moore NS, Mueller BK, Mueller R, Namovic MT, Patel K, Pratt SD, Putman CB, Queeney KL, Sarris KK, Schaffter LM, Stoll V, Vasudevan A, Wang L, Wang L, Wirthl W, Yach K.: Identification of Selective Dual ROCK1 and ROCK2 Inhibitors Using Structure-Based Drug Design. J Med Chem, Volume 61 (24), 2018";ChEMBL
MM473715;MM473715;CCNC(=O)c1cc2c(-c3cc(S(=O)(=O)CC)ccc3Oc3c(C)cccc3Cl)cn(C)c(=O)c2[nH]1;OCYNKQMSOZDDMV-UHFFFAOYSA-N;528.03;4.83;;;;;GENER;EPAM;25;0;"<a href=https://www.ebi.ac.uk/chembl/assay_report_card/CHEMBL4346341/  target=_blank>CHEMBL4346341</a>";;;;;;;;;-5.56;;;;;;;;;;;;"Sheppard GS, Wang L, Fidanze SD, Hasvold LA, Liu D, Pratt JK, Park CH, Longenecker K, Qiu W, Torrent M, Kovar PJ, Bui M, Faivre E, Huang X, Lin X, Wilcox D, Zhang L, Shen Y, Albert DH, Magoc TJ, Rajaraman G, Kati WM, McDaniel KF.: Discovery of <i>N</i>-Ethyl-4-[2-(4-fluoro-2,6-dimethyl-phenoxy)-5-(1-hydroxy-1-methyl-ethyl)phenyl]-6-methyl-7-oxo-1<i>H</i>-pyrrolo[2,3-<i>c</i>]pyridine-2-carboxamide (ABBV-744), a BET Bromodomain Inhibitor with Selectivity for the Second Bromodomain. J Med Chem, Volume 63 (10), 2020";ChEMBL
MM471362;MM471362;CN(C)C(=O)C1CCN(C(=O)c2cc3ccccc3n2Cc2ccc(Cl)cc2)CC1;JOSFLJYYKHVIGN-UHFFFAOYSA-N;423.94;4.28;66571155;;;CHEMBL3085920;BBB;EPAM;25;0;"ph = 7.4, <a href=https://www.ebi.ac.uk/chembl/assay_report_card/CHEMBL3090143/  target=_blank>CHEMBL3090143</a>";;;;;;;;;-4.19;;;;;;;;;;;;"Sindac JA, Barraza SJ, Dobry CJ, Xiang J, Blakely PK, Irani DN, Keep RF, Miller DJ, Larsen SD.: Optimization of novel indole-2-carboxamide inhibitors of neurotropic alphavirus replication. J Med Chem, Volume 56 (22), 2013";ChEMBL
MM471361;MM471361;CN(Cc1ccccc1)C(=O)C1CCN(C(=O)c2cc3ccccc3n2Cc2ccc(C#N)cc2)CC1;ATQKJRVTNVFCFU-UHFFFAOYSA-N;490.61;5.07;66571518;;;CHEMBL3085925;BBB;EPAM;25;0;"ph = 7.4, <a href=https://www.ebi.ac.uk/chembl/assay_report_card/CHEMBL3090143/  target=_blank>CHEMBL3090143</a>";;;;;;;;;-4.27;;;;;;;;;;;;"Sindac JA, Barraza SJ, Dobry CJ, Xiang J, Blakely PK, Irani DN, Keep RF, Miller DJ, Larsen SD.: Optimization of novel indole-2-carboxamide inhibitors of neurotropic alphavirus replication. J Med Chem, Volume 56 (22), 2013";ChEMBL
MM472259;MM472259;CCN(c1cc2oc(-c3ccc(F)cc3)c(C(=O)NC)c2cc1-c1cc(C)c(OC)c(C(=O)NC2(c3ncccn3)CC2)c1)S(C)(=O)=O;ZAPGMDYFSUZKCG-UHFFFAOYSA-N;671.75;5.58;155533768;;;CHEMBL4469782;GENER;EPAM;25;0;"ph = 7.4, <a href=https://www.ebi.ac.uk/chembl/assay_report_card/CHEMBL4329907/  target=_blank>CHEMBL4329907</a>";;;;;;;;;-4.39;;;;;;;;;;;;"Yeung KS, Beno BR, Mosure K, Zhu J, Grant-Young KA, Parcella K, Anjanappa P, Bora RO, Selvakumar K, Wang YK, Fang H, Krause R, Rigat K, Liu M, Lemm J, Sheriff S, Witmer M, Tredup J, Jardel A, Kish K, Parker D, Haskell R, Santone K, Meanwell NA, Soars MG, Roberts SB, Kadow JF.: Structure-Property Basis for Solving Transporter-Mediated Efflux and Pan-Genotypic Inhibition in HCV NS5B Inhibitors. ACS Med Chem Lett, Volume 9 (12), 2018";ChEMBL
MM471360;MM471360;CC(=O)n1c(C(=O)N2CCC(C(=O)N(C)Cc3ccccc3)CC2)cc2ccccc21;BPOXOMAMPFPMOX-UHFFFAOYSA-N;417.51;3.81;66571464;;;CHEMBL3085927;BBB;EPAM;25;0;"ph = 7.4, <a href=https://www.ebi.ac.uk/chembl/assay_report_card/CHEMBL3090143/  target=_blank>CHEMBL3090143</a>";;;;;;;;;-5.01;;;;;;;;;;;;"Sindac JA, Barraza SJ, Dobry CJ, Xiang J, Blakely PK, Irani DN, Keep RF, Miller DJ, Larsen SD.: Optimization of novel indole-2-carboxamide inhibitors of neurotropic alphavirus replication. J Med Chem, Volume 56 (22), 2013";ChEMBL
MM473631;MM473631;Cc1nc(Nc2ncc(C(=O)Nc3c(C)cccc3Cl)s2)cc(N2CCN(CCOCCOCCNC(=O)OC(C)(C)C)CC2)n1;ZKQTVBGLURSDIR-UHFFFAOYSA-N;675.26;4.88;155534423;;;CHEMBL4469856;GENER;EPAM;25;0;"<a href=https://www.ebi.ac.uk/chembl/assay_report_card/CHEMBL4312050/  target=_blank>CHEMBL4312050</a>";;;;;;;;;-8.19;;;;;;;;;;;;"Richardson PL, Marin VL, Koeniger SL, Baranczak A, Wilsbacher JL, Kovar PJ, Bacon-Trusk PE, Cheng M, Hopkins TA, Haman ST, Vasudevan A.: Controlling cellular distribution of drugs with permeability modifying moieties. Medchemcomm, Volume 10 (6), 2019";ChEMBL
MM471359;MM471359;COCCn1c(C(=O)N2CCC(C(=O)N(C)Cc3ccccc3)CC2)cc2ccccc21;JAUSZDYZAWCRHD-UHFFFAOYSA-N;433.55;3.8;66571463;;;CHEMBL3085928;BBB;EPAM;25;0;"ph = 7.4, <a href=https://www.ebi.ac.uk/chembl/assay_report_card/CHEMBL3090143/  target=_blank>CHEMBL3090143</a>";;;;;;;;;-4.39;;;;;;;;;;;;"Sindac JA, Barraza SJ, Dobry CJ, Xiang J, Blakely PK, Irani DN, Keep RF, Miller DJ, Larsen SD.: Optimization of novel indole-2-carboxamide inhibitors of neurotropic alphavirus replication. J Med Chem, Volume 56 (22), 2013";ChEMBL
MM472265;MM472265;CC(C)N(C)C1CCC(N2CCC(Nc3ncnc4ccc(C(F)(F)F)cc34)C2=O)C(CS(C)(=O)=O)C1;CJGHKRWUTQLMOP-REIYTJMXSA-N;541.64;3.58;68772423;;;CHEMBL4470701;GENER;EPAM;25;0;"ph = 7.4, <a href=https://www.ebi.ac.uk/chembl/assay_report_card/CHEMBL4339727/  target=_blank>CHEMBL4339727</a>";;;;;;;;;-5.85;;;;;;;;;;;;"Yang MG, Xiao Z, Cherney RJ, Tebben AJ, Batt DG, Brown GD, Chen J, Cvijic ME, Dabros M, Duncia JV, Galella M, Gardner DS, Khandelwal P, Ko SS, Malley MF, Mo R, Pang J, Rose AV, Santella JB, Shi H, Srivastava A, Traeger SC, Wang B, Xu S, Zhao R, Barrish JC, Mandlekar S, Zhao Q, Carter PH.: Use of a Conformational-Switching Mechanism to Modulate Exposed Polarity: Discovery of CCR2 Antagonist BMS-741672. ACS Med Chem Lett, Volume 10 (3), 2019";ChEMBL
MM473638;MM473638;Cc1nn(CCOCCOCCNC(=O)CCCCCC2(C)C(/C=C/C=C/C=C3/N(CCCS(=O)(=O)O)c4ccc(S(=O)(=O)O)cc4C3(C)C)=[N+](CCCS(=O)(=O)[O-])c3ccc(S(=O)(=O)O)cc32)cc1-c1ccc2cc(CCN3CCC[C@H]3C)ccc2n1;NMZPBNMJPWEQGW-NZVNFOOKSA-N;1292.63;8.09;;;;;GENER;EPAM;25;+1,-1;"<a href=https://www.ebi.ac.uk/chembl/assay_report_card/CHEMBL4312050/  target=_blank>CHEMBL4312050</a>";;;;;;;;;-6.55;;;;;;;;;;;;"Richardson PL, Marin VL, Koeniger SL, Baranczak A, Wilsbacher JL, Kovar PJ, Bacon-Trusk PE, Cheng M, Hopkins TA, Haman ST, Vasudevan A.: Controlling cellular distribution of drugs with permeability modifying moieties. Medchemcomm, Volume 10 (6), 2019";ChEMBL
MM473711;MM473711;CCNC(=O)c1cc2c(-c3cc(S(=O)(=O)CC)ccc3Oc3ccccc3C)cn(C)c(=O)c2[nH]1;YHGHNENRTHFHIW-UHFFFAOYSA-N;493.59;4.18;;;;;GENER;EPAM;25;0;"<a href=https://www.ebi.ac.uk/chembl/assay_report_card/CHEMBL4346341/  target=_blank>CHEMBL4346341</a>";;;;;;;;;-5.43;;;;;;;;;;;;"Sheppard GS, Wang L, Fidanze SD, Hasvold LA, Liu D, Pratt JK, Park CH, Longenecker K, Qiu W, Torrent M, Kovar PJ, Bui M, Faivre E, Huang X, Lin X, Wilcox D, Zhang L, Shen Y, Albert DH, Magoc TJ, Rajaraman G, Kati WM, McDaniel KF.: Discovery of <i>N</i>-Ethyl-4-[2-(4-fluoro-2,6-dimethyl-phenoxy)-5-(1-hydroxy-1-methyl-ethyl)phenyl]-6-methyl-7-oxo-1<i>H</i>-pyrrolo[2,3-<i>c</i>]pyridine-2-carboxamide (ABBV-744), a BET Bromodomain Inhibitor with Selectivity for the Second Bromodomain. J Med Chem, Volume 63 (10), 2020";ChEMBL
MM470962;MM470962;O=C(NCCc1ccncc1)C1CCN(C(=O)c2cccn2Cc2ccc(Cl)cc2)CC1;JFEPDCPCLWYRAD-UHFFFAOYSA-N;450.97;3.8;66571568;;;CHEMBL3085933;BBB;EPAM;25;0;"ph = 7.4, <a href=https://www.ebi.ac.uk/chembl/assay_report_card/CHEMBL3090143/  target=_blank>CHEMBL3090143</a>";;;;;;;;;-5.01;;;;;;;;;;;;"Sindac JA, Barraza SJ, Dobry CJ, Xiang J, Blakely PK, Irani DN, Keep RF, Miller DJ, Larsen SD.: Optimization of novel indole-2-carboxamide inhibitors of neurotropic alphavirus replication. J Med Chem, Volume 56 (22), 2013";ChEMBL
MM473685;MM473685;Cc1nc(C)c(C(=O)N2CCCC(c3cc4ncccc4[nH]3)C2)o1;HAZWCBBZPXYGHA-UHFFFAOYSA-N;324.38;3.19;155534937;;;CHEMBL4471120;GENER;EPAM;25;0;"<a href=https://www.ebi.ac.uk/chembl/assay_report_card/CHEMBL4343676/  target=_blank>CHEMBL4343676</a>";;;;;;;;;-5.81;;;;;;;;;;;;"Koovits PJ, Dessoy MA, Matheeussen A, Maes L, Caljon G, Mowbray CE, Kratz JM, Dias LC.: Structure-activity relationship of 4-azaindole-2-piperidine derivatives as agents against Trypanosoma cruzi. Bioorg Med Chem Lett, Volume 30 (1), 2020";ChEMBL
MM471358;MM471358;O=C(NCCc1ccncc1)C1CCN(C(=O)c2nccn2Cc2ccc(Cl)cc2)CC1;CEHHTOMVMJIHBM-UHFFFAOYSA-N;451.96;3.19;72737057;;;CHEMBL3085934;BBB;EPAM;25;0;"ph = 7.4, <a href=https://www.ebi.ac.uk/chembl/assay_report_card/CHEMBL3090143/  target=_blank>CHEMBL3090143</a>";;;;;;;;;-5.06;;;;;;;;;;;;"Sindac JA, Barraza SJ, Dobry CJ, Xiang J, Blakely PK, Irani DN, Keep RF, Miller DJ, Larsen SD.: Optimization of novel indole-2-carboxamide inhibitors of neurotropic alphavirus replication. J Med Chem, Volume 56 (22), 2013";ChEMBL
MM471357;MM471357;O=C(NCCc1ccncc1)C1CCN(C(=O)c2nc3ccccc3n2Cc2ccc(Cl)cc2)CC1;VILORXHTQVWMSG-UHFFFAOYSA-N;502.02;4.34;66571519;;;CHEMBL3085935;BBB;EPAM;25;0;"ph = 7.4, <a href=https://www.ebi.ac.uk/chembl/assay_report_card/CHEMBL3090143/  target=_blank>CHEMBL3090143</a>";;;;;;;;;-4.5;;;;;;;;;;;;"Sindac JA, Barraza SJ, Dobry CJ, Xiang J, Blakely PK, Irani DN, Keep RF, Miller DJ, Larsen SD.: Optimization of novel indole-2-carboxamide inhibitors of neurotropic alphavirus replication. J Med Chem, Volume 56 (22), 2013";ChEMBL
MM473634;MM473634;NCc1cccc(C(=O)N2CCC(CCCCNC(=O)C=Cc3cccnc3)CC2)c1;WEPGGNXWWVQUNN-MDZDMXLPSA-N;420.56;3.39;155534963;;;CHEMBL4471163;GENER;EPAM;25;0;"<a href=https://www.ebi.ac.uk/chembl/assay_report_card/CHEMBL4312050/  target=_blank>CHEMBL4312050</a>";;;;;;;;;-7.04;;;;;;;;;;;;"Richardson PL, Marin VL, Koeniger SL, Baranczak A, Wilsbacher JL, Kovar PJ, Bacon-Trusk PE, Cheng M, Hopkins TA, Haman ST, Vasudevan A.: Controlling cellular distribution of drugs with permeability modifying moieties. Medchemcomm, Volume 10 (6), 2019";ChEMBL
MM471370;MM471370;CC(NC(=O)C1CCN(C(=O)c2cc3ccccc3n2Cc2ccc(Cl)cc2)CC1)c1ccccc1;ODJADYPQMHIQPP-OAQYLSRUSA-N;500.04;6.07;56929805;;;CHEMBL3085937;BBB;EPAM;25;0;"ph = 7.4, <a href=https://www.ebi.ac.uk/chembl/assay_report_card/CHEMBL3090143/  target=_blank>CHEMBL3090143</a>";;;;;;;;;-6.52;;;;;;;;;;;;"Sindac JA, Barraza SJ, Dobry CJ, Xiang J, Blakely PK, Irani DN, Keep RF, Miller DJ, Larsen SD.: Optimization of novel indole-2-carboxamide inhibitors of neurotropic alphavirus replication. J Med Chem, Volume 56 (22), 2013";ChEMBL
MM471763;MM471763;Cc1cc(C=CC(C)(C)C(=O)NC(C)(C)CO)ccc1Cc1cc(C2OC(CO)C(O)C(O)C2O)c(C)cc1C;IQQXSBWTAXVZMJ-NQANJDNISA-N;555.71;2.64;155534804;;;CHEMBL4471283;GENER;EPAM;25;0;"ph = 7.4, <a href=https://www.ebi.ac.uk/chembl/assay_report_card/CHEMBL4311711/  target=_blank>CHEMBL4311711</a>";;;;;;;;;-5.12;;;;;;;;;;;;"Kuroda S, Kobashi Y, Oi T, Kawabe K, Shiozawa F, Okumura-Kitajima L, Sugisaki-Kitano M, Io F, Yamamoto K, Kakinuma H.: Discovery of potent, low-absorbable sodium-dependent glucose cotransporter 1 (SGLT1) inhibitor SGL5213 for type 2 diabetes treatment. Bioorg Med Chem, Volume 27 (2), 2019";ChEMBL
MM471368;MM471368;CC(NC(=O)C1CCN(C(=O)c2cc3ccccc3n2Cc2ccc(Cl)cc2)CC1)c1ccncc1;OGFVCCAIESXVCG-UHFFFAOYSA-N;501.03;5.47;66571218;;;CHEMBL3085938;BBB;EPAM;25;0;"ph = 7.4, <a href=https://www.ebi.ac.uk/chembl/assay_report_card/CHEMBL3090143/  target=_blank>CHEMBL3090143</a>";;;;;;;;;-3.99;;;;;;;;;;;;"Sindac JA, Barraza SJ, Dobry CJ, Xiang J, Blakely PK, Irani DN, Keep RF, Miller DJ, Larsen SD.: Optimization of novel indole-2-carboxamide inhibitors of neurotropic alphavirus replication. J Med Chem, Volume 56 (22), 2013";ChEMBL
MM472268;MM472268;Cn1c(C(=O)NC2(c3ccc(C(=O)O)cc3)COC2)cc2c(Cl)c(Cl)ccc21;VTCQBZIYGBVVGY-UHFFFAOYSA-N;419.26;3.84;130418263;;;CHEMBL4471410;GENER;EPAM;25;0;"ph = 7.4, <a href=https://www.ebi.ac.uk/chembl/assay_report_card/CHEMBL4350236/  target=_blank>CHEMBL4350236</a>";;;;;;;;;-5.28;;;;;;;;;;;;"Mullarky E, Xu J, Robin AD, Huggins DJ, Jennings A, Noguchi N, Olland A, Lakshminarasimhan D, Miller M, Tomita D, Michino M, Su T, Zhang G, Stamford AW, Meinke PT, Kargman S, Cantley LC.: Inhibition of 3-phosphoglycerate dehydrogenase (PHGDH) by indole amides abrogates de novo serine synthesis in cancer cells. Bioorg Med Chem Lett, Volume 29 (17), 2019";ChEMBL
MM471367;MM471367;C[C@@H](NC(=O)C1CCN(C(=O)c2cc3ccccc3n2Cc2ccc(Cl)cc2)CC1)c1ccncc1;OGFVCCAIESXVCG-HXUWFJFHSA-N;501.03;5.47;;;;;BBB;EPAM;25;0;"ph = 7.4, <a href=https://www.ebi.ac.uk/chembl/assay_report_card/CHEMBL3090143/  target=_blank>CHEMBL3090143</a>";;;;;;;;;-4.02;;;;;;;;;;;;"Sindac JA, Barraza SJ, Dobry CJ, Xiang J, Blakely PK, Irani DN, Keep RF, Miller DJ, Larsen SD.: Optimization of novel indole-2-carboxamide inhibitors of neurotropic alphavirus replication. J Med Chem, Volume 56 (22), 2013";ChEMBL
MM473660;MM473660;COc1cccc(C(C)NC(=O)c2ccc(-c3ccncc3F)cc2)c1;HSMAACWXVBSPJQ-CQSZACIVSA-N;350.39;4.39;68513301;;;CHEMBL4472858;GENER;EPAM;25;0;"<a href=https://www.ebi.ac.uk/chembl/assay_report_card/CHEMBL4328672/  target=_blank>CHEMBL4328672</a>";;;;;;;;;-4.67;;;;;;;;;;;;"Hobson AD, Judge RA, Aguirre AL, Brown BS, Cui Y, Ding P, Dominguez E, DiGiammarino E, Egan DA, Freiberg GM, Gopalakrishnan SM, Harris CM, Honore MP, Kage KL, Kapecki NJ, Ling C, Ma J, Mack H, Mamo M, Maurus S, McRae B, Moore NS, Mueller BK, Mueller R, Namovic MT, Patel K, Pratt SD, Putman CB, Queeney KL, Sarris KK, Schaffter LM, Stoll V, Vasudevan A, Wang L, Wang L, Wirthl W, Yach K.: Identification of Selective Dual ROCK1 and ROCK2 Inhibitors Using Structure-Based Drug Design. J Med Chem, Volume 61 (24), 2018";ChEMBL
MM473679;MM473679;O=C(c1ccc(F)cc1)N1CCCC(c2cc3ncccc3[nH]2)C1;YDVZODJEUINLGA-UHFFFAOYSA-N;323.37;3.72;155536318;;;CHEMBL4473162;GENER;EPAM;25;0;"<a href=https://www.ebi.ac.uk/chembl/assay_report_card/CHEMBL4343676/  target=_blank>CHEMBL4343676</a>";;;;;;;;;-6.2;;;;;;;;;;;;"Koovits PJ, Dessoy MA, Matheeussen A, Maes L, Caljon G, Mowbray CE, Kratz JM, Dias LC.: Structure-activity relationship of 4-azaindole-2-piperidine derivatives as agents against Trypanosoma cruzi. Bioorg Med Chem Lett, Volume 30 (1), 2020";ChEMBL
MM470972;MM470972;O=C(NCCc1ccncc1)C1CCN(C(=O)c2cc3ccccc3n2Cc2ccc(Cl)cc2)CC1;ZCSWCGKOEUTHLD-UHFFFAOYSA-N;501.03;4.95;66571217;;;CHEMBL3085944;BBB;EPAM;25;0;"ph = 7.4, <a href=https://www.ebi.ac.uk/chembl/assay_report_card/CHEMBL3090143/  target=_blank>CHEMBL3090143</a>";;;;;;;;;-4.18;;;;;;;;;;;;"Sindac JA, Barraza SJ, Dobry CJ, Xiang J, Blakely PK, Irani DN, Keep RF, Miller DJ, Larsen SD.: Optimization of novel indole-2-carboxamide inhibitors of neurotropic alphavirus replication. J Med Chem, Volume 56 (22), 2013";ChEMBL
MM471366;MM471366;O=C(NCCCc1ccncc1)C1CCN(C(=O)c2cc3ccccc3n2Cc2ccc(Cl)cc2)CC1;UUEUBXPKYDXYQY-UHFFFAOYSA-N;515.06;5.34;72736888;;;CHEMBL3085947;BBB;EPAM;25;0;"ph = 7.4, <a href=https://www.ebi.ac.uk/chembl/assay_report_card/CHEMBL3090143/  target=_blank>CHEMBL3090143</a>";;;;;;;;;-4.11;;;;;;;;;;;;"Sindac JA, Barraza SJ, Dobry CJ, Xiang J, Blakely PK, Irani DN, Keep RF, Miller DJ, Larsen SD.: Optimization of novel indole-2-carboxamide inhibitors of neurotropic alphavirus replication. J Med Chem, Volume 56 (22), 2013";ChEMBL
MM474739;MM474739;COc1ccccc1S(=O)(=O)Nc1ccc2c3c(cc(-c4ccc(C)o4)cc13)C(=O)N2C;LXMRIQOUXRGUQR-UHFFFAOYSA-N;448.5;4.81;155536305;;;CHEMBL4473458;GENER;EPAM;25;0;"<a href=https://www.ebi.ac.uk/chembl/assay_report_card/CHEMBL4357144/  target=_blank>CHEMBL4357144</a>";;;;;;;;;-8.22;;;;;;;;;;;;"Jiang F, Hu Q, Zhang Z, Li H, Li H, Zhang D, Li H, Ma Y, Xu J, Chen H, Cui Y, Zhi Y, Zhang Y, Xu J, Zhu J, Lu T, Chen Y.: Discovery of Benzo[<i>cd</i>]indol-2(1<i>H</i>)-ones and Pyrrolo[4,3,2-<i>de</i>]quinolin-2(1<i>H</i>)-ones as Bromodomain and Extra-Terminal Domain (BET) Inhibitors with Selectivity for the First Bromodomain with Potential High Efficiency against Acute Gouty Arthritis. J Med Chem, Volume 62 (24), 2019";ChEMBL
MM471365;MM471365;CC(C)(Cc1ccncc1)NC(=O)C1CCN(C(=O)c2cc3ccccc3n2Cc2ccc(Cl)cc2)CC1;ARWKNJZXKQKIAL-UHFFFAOYSA-N;529.08;5.73;72736889;;;CHEMBL3085949;BBB;EPAM;25;0;"ph = 7.4, <a href=https://www.ebi.ac.uk/chembl/assay_report_card/CHEMBL3090143/  target=_blank>CHEMBL3090143</a>";;;;;;;;;-4.19;;;;;;;;;;;;"Sindac JA, Barraza SJ, Dobry CJ, Xiang J, Blakely PK, Irani DN, Keep RF, Miller DJ, Larsen SD.: Optimization of novel indole-2-carboxamide inhibitors of neurotropic alphavirus replication. J Med Chem, Volume 56 (22), 2013";ChEMBL
MM474733;MM474733;NC(=O)c1cc(-c2ccccc2)cc2c(C3CCN(S(=O)(=O)CCN4CCOCC4)CC3)c[nH]c12;IBHBSLBQSHEYEW-UHFFFAOYSA-N;496.63;2.78;11641780;;;CHEMBL4473469;GENER;EPAM;25;0;"<a href=https://www.ebi.ac.uk/chembl/assay_report_card/CHEMBL4329666/  target=_blank>CHEMBL4329666</a>";;;;;;;;;-4.51;;;;;;;;;;;;"Kerns JK, Busch-Petersen J, Fu W, Boehm JC, Nie H, Muratore M, Bullion A, Lin G, Li H, Davis R, Lin X, Lakdawala AS, Cousins R, Field R, Payne J, Miller DD, Bamborough P, Christopher JA, Baldwin I, Osborn RR, Yonchuk J, Webb E, Rumsey WL.: 3,5-Disubstituted-indole-7-carboxamides as IKKβ Inhibitors: Optimization of Oral Activity via the C3 Substituent. ACS Med Chem Lett, Volume 9 (12), 2018";ChEMBL
MM473632;MM473632;Cc1nc(Nc2ncc(C(=O)Nc3c(C)cccc3Cl)s2)cc(N2CCN(CCOCCOCCN)CC2)n1;VYEYNLSRVXXGPW-UHFFFAOYSA-N;575.14;3.31;118226293;;;CHEMBL4474070;GENER;EPAM;25;0;"<a href=https://www.ebi.ac.uk/chembl/assay_report_card/CHEMBL4312050/  target=_blank>CHEMBL4312050</a>";;;;;;;;;-7.25;;;;;;;;;;;;"Richardson PL, Marin VL, Koeniger SL, Baranczak A, Wilsbacher JL, Kovar PJ, Bacon-Trusk PE, Cheng M, Hopkins TA, Haman ST, Vasudevan A.: Controlling cellular distribution of drugs with permeability modifying moieties. Medchemcomm, Volume 10 (6), 2019";ChEMBL
MM471364;MM471364;CN(CCc1ccncc1)C(=O)C1CCN(C(=O)c2cc3ccccc3n2Cc2ccc(Cl)cc2)CC1;NBJSFGVKVAGGRD-UHFFFAOYSA-N;515.06;5.29;72736890;;;CHEMBL3085950;BBB;EPAM;25;0;"ph = 7.4, <a href=https://www.ebi.ac.uk/chembl/assay_report_card/CHEMBL3090143/  target=_blank>CHEMBL3090143</a>";;;;;;;;;-4.21;;;;;;;;;;;;"Sindac JA, Barraza SJ, Dobry CJ, Xiang J, Blakely PK, Irani DN, Keep RF, Miller DJ, Larsen SD.: Optimization of novel indole-2-carboxamide inhibitors of neurotropic alphavirus replication. J Med Chem, Volume 56 (22), 2013";ChEMBL
MM471363;MM471363;O=C(NCCn1ccnc1)C1CCN(C(=O)c2cc3ccccc3n2Cc2ccc(Cl)cc2)CC1;PODKUUDKGOYGIP-UHFFFAOYSA-N;490.01;4.21;72737054;;;CHEMBL3085952;BBB;EPAM;25;0;"ph = 7.4, <a href=https://www.ebi.ac.uk/chembl/assay_report_card/CHEMBL3090143/  target=_blank>CHEMBL3090143</a>";;;;;;;;;-5.76;;;;;;;;;;;;"Sindac JA, Barraza SJ, Dobry CJ, Xiang J, Blakely PK, Irani DN, Keep RF, Miller DJ, Larsen SD.: Optimization of novel indole-2-carboxamide inhibitors of neurotropic alphavirus replication. J Med Chem, Volume 56 (22), 2013";ChEMBL
MM472260;MM472260;CCN(c1cc2oc(-c3ccc(F)cc3)c(C(=O)NC)c2cc1-c1cc(F)c(F)c(C(=O)NC2(c3ncccn3)CC2)c1)S(C)(=O)=O;HWHRKUXLDXFZKY-UHFFFAOYSA-N;663.68;5.54;155537239;;;CHEMBL4474552;GENER;EPAM;25;0;"ph = 7.4, <a href=https://www.ebi.ac.uk/chembl/assay_report_card/CHEMBL4329907/  target=_blank>CHEMBL4329907</a>";;;;;;;;;-4.14;;;;;;;;;;;;"Yeung KS, Beno BR, Mosure K, Zhu J, Grant-Young KA, Parcella K, Anjanappa P, Bora RO, Selvakumar K, Wang YK, Fang H, Krause R, Rigat K, Liu M, Lemm J, Sheriff S, Witmer M, Tredup J, Jardel A, Kish K, Parker D, Haskell R, Santone K, Meanwell NA, Soars MG, Roberts SB, Kadow JF.: Structure-Property Basis for Solving Transporter-Mediated Efflux and Pan-Genotypic Inhibition in HCV NS5B Inhibitors. ACS Med Chem Lett, Volume 9 (12), 2018";ChEMBL
MM474048;MM474048;COc1cc2[se]n(CCC3CCN(Cc4ccccc4)CC3)c(=O)c2cc1OC;PGBBHNPZVCTISZ-UHFFFAOYSA-N;459.45;3.38;72736878;;;CHEMBL3086276;BBB;EPAM;25;0;"<a href=https://www.ebi.ac.uk/chembl/assay_report_card/CHEMBL3089055/  target=_blank>CHEMBL3089055</a>";;;;;;;;;-5.07;;;;;;;;;;;;"Luo Z, Sheng J, Sun Y, Lu C, Yan J, Liu A, Luo HB, Huang L, Li X.: Synthesis and evaluation of multi-target-directed ligands against Alzheimer's disease based on the fusion of donepezil and ebselen. J Med Chem, Volume 56 (22), 2013";ChEMBL
MM473671;MM473671;CCC(C)C1NC(=O)C(Cc2ccc(O)cc2)N(C)C(=O)C(Cc2ccccc2)NC(=O)CN(C)C(=O)C2CCCN2C(=O)C(C)N(C)C(=O)C(CC(C)C)NC1=O;VMTIHJPQWSYJRY-ZYUUNLBFSA-N;804;1.86;155537895;;;CHEMBL4475745;GENER;EPAM;25;0;"<a href=https://www.ebi.ac.uk/chembl/assay_report_card/CHEMBL4328889/  target=_blank>CHEMBL4328889</a>";;;;;;;;;-5.89;;;;;;;;;;;;"Naylor MR, Ly AM, Handford MJ, Ramos DP, Pye CR, Furukawa A, Klein VG, Noland RP, Edmondson Q, Turmon AC, Hewitt WM, Schwochert J, Townsend CE, Kelly CN, Blanco MJ, Lokey RS.: Lipophilic Permeability Efficiency Reconciles the Opposing Roles of Lipophilicity in Membrane Permeability and Aqueous Solubility. J Med Chem, Volume 61 (24), 2018";ChEMBL
MM474047;MM474047;COc1cc2[se]n(CCCC3CCN(Cc4ccccc4)CC3)c(=O)c2cc1OC;SPTPBOSWJWYELM-UHFFFAOYSA-N;473.48;3.77;72736377;;;CHEMBL3086277;BBB;EPAM;25;0;"<a href=https://www.ebi.ac.uk/chembl/assay_report_card/CHEMBL3089055/  target=_blank>CHEMBL3089055</a>";;;;;;;;;-4.99;;;;;;;;;;;;"Luo Z, Sheng J, Sun Y, Lu C, Yan J, Liu A, Luo HB, Huang L, Li X.: Synthesis and evaluation of multi-target-directed ligands against Alzheimer's disease based on the fusion of donepezil and ebselen. J Med Chem, Volume 56 (22), 2013";ChEMBL
MM472275;MM472275;Cn1c(C(=O)NC2(c3ccc(C(CC(=O)O)c4cccnc4)cc3)COC2)cc2c(Cl)c(Cl)ccc21;GAVIPRBFFNZNSO-UHFFFAOYSA-N;524.4;5.14;155538643;;;CHEMBL4476654;GENER;EPAM;25;0;"ph = 7.4, <a href=https://www.ebi.ac.uk/chembl/assay_report_card/CHEMBL4350236/  target=_blank>CHEMBL4350236</a>";;;;;;;;;-5.8;;;;;;;;;;;;"Mullarky E, Xu J, Robin AD, Huggins DJ, Jennings A, Noguchi N, Olland A, Lakshminarasimhan D, Miller M, Tomita D, Michino M, Su T, Zhang G, Stamford AW, Meinke PT, Kargman S, Cantley LC.: Inhibition of 3-phosphoglycerate dehydrogenase (PHGDH) by indole amides abrogates de novo serine synthesis in cancer cells. Bioorg Med Chem Lett, Volume 29 (17), 2019";ChEMBL
MM474046;MM474046;COc1cc2[se]n(CCCCC3CCN(Cc4ccccc4)CC3)c(=O)c2cc1OC;XATRWWMRLDBURC-UHFFFAOYSA-N;487.5;4.16;72736548;;;CHEMBL3086278;BBB;EPAM;25;0;"<a href=https://www.ebi.ac.uk/chembl/assay_report_card/CHEMBL3089055/  target=_blank>CHEMBL3089055</a>";;;;;;;;;-4.8;;;;;;;;;;;;"Luo Z, Sheng J, Sun Y, Lu C, Yan J, Liu A, Luo HB, Huang L, Li X.: Synthesis and evaluation of multi-target-directed ligands against Alzheimer's disease based on the fusion of donepezil and ebselen. J Med Chem, Volume 56 (22), 2013";ChEMBL
MM473655;MM473655;CCCOc1cccc(CNC(=O)c2ccc(-c3ccncc3)cc2)c1;LFGRESLGCGHUEH-UHFFFAOYSA-N;346.43;4.47;155538567;;;CHEMBL4476761;GENER;EPAM;25;0;"<a href=https://www.ebi.ac.uk/chembl/assay_report_card/CHEMBL4328672/  target=_blank>CHEMBL4328672</a>";;;;;;;;;-4.79;;;;;;;;;;;;"Hobson AD, Judge RA, Aguirre AL, Brown BS, Cui Y, Ding P, Dominguez E, DiGiammarino E, Egan DA, Freiberg GM, Gopalakrishnan SM, Harris CM, Honore MP, Kage KL, Kapecki NJ, Ling C, Ma J, Mack H, Mamo M, Maurus S, McRae B, Moore NS, Mueller BK, Mueller R, Namovic MT, Patel K, Pratt SD, Putman CB, Queeney KL, Sarris KK, Schaffter LM, Stoll V, Vasudevan A, Wang L, Wang L, Wirthl W, Yach K.: Identification of Selective Dual ROCK1 and ROCK2 Inhibitors Using Structure-Based Drug Design. J Med Chem, Volume 61 (24), 2018";ChEMBL
MM471788;MM471788;Cc1c(N2CCN(C)CC2)ccc2c3c(c(=O)oc12)CN(C(=O)c1ccc(NS(C)(=O)=O)c(OC(F)(F)F)c1)CC3;KLPAPRYWQRQOED-UHFFFAOYSA-N;594.61;3.32;134560277;;;CHEMBL4483030;GENER;EPAM;25;0;"ph = 7.4, <a href=https://www.ebi.ac.uk/chembl/assay_report_card/CHEMBL4338138/  target=_blank>CHEMBL4338138</a>";;;;;;;;;-4.36;;;;;;;;;;;;"Kawai J, Toki T, Ota M, Inoue H, Takata Y, Asahi T, Suzuki M, Shimada T, Ono K, Suzuki K, Takaishi S, Ohki H, Matsui S, Tsutsumi S, Hirota Y, Nakayama K.: Discovery of a Potent, Selective, and Orally Available MTHFD2 Inhibitor (DS18561882) with in Vivo Antitumor Activity. J Med Chem, Volume 62 (22), 2019";ChEMBL
MM473721;MM473721;CCNC(=O)c1cc2c(-c3cc(S(C)(=O)=O)ccc3Oc3c(C)cccc3C)cn(C)c(=O)c2[nH]1;MYOFYUNIPWRAOL-UHFFFAOYSA-N;493.59;4.1;;;;;GENER;EPAM;25;0;"<a href=https://www.ebi.ac.uk/chembl/assay_report_card/CHEMBL4346341/  target=_blank>CHEMBL4346341</a>";;;;;;;;;-4.97;;;;;;;;;;;;"Sheppard GS, Wang L, Fidanze SD, Hasvold LA, Liu D, Pratt JK, Park CH, Longenecker K, Qiu W, Torrent M, Kovar PJ, Bui M, Faivre E, Huang X, Lin X, Wilcox D, Zhang L, Shen Y, Albert DH, Magoc TJ, Rajaraman G, Kati WM, McDaniel KF.: Discovery of <i>N</i>-Ethyl-4-[2-(4-fluoro-2,6-dimethyl-phenoxy)-5-(1-hydroxy-1-methyl-ethyl)phenyl]-6-methyl-7-oxo-1<i>H</i>-pyrrolo[2,3-<i>c</i>]pyridine-2-carboxamide (ABBV-744), a BET Bromodomain Inhibitor with Selectivity for the Second Bromodomain. J Med Chem, Volume 63 (10), 2020";ChEMBL
MM472334;MM472334;C=CC(=O)N(C)CCOc1c(N)ncnc1-c1cc(F)cc(NC(=O)c2ccc(C3CC3)cc2F)c1C;CUABMPOJOBCXJI-UHFFFAOYSA-N;507.54;4.47;118107483;;;CHEMBL4483575;GENER;EPAM;25;0;"ph = 6.8, <a href=https://www.ebi.ac.uk/chembl/assay_report_card/CHEMBL4358497/  target=_blank>CHEMBL4358497</a>";;;;;;;;;-4.3;;;;;;;;;;;;"Angst D, Gessier F, Janser P, Vulpetti A, Wälchli R, Beerli C, Littlewood-Evans A, Dawson J, Nuesslein-Hildesheim B, Wieczorek G, Gutmann S, Scheufler C, Hinniger A, Zimmerlin A, Funhoff EG, Pulz R, Cenni B.: Discovery of LOU064 (Remibrutinib), a Potent and Highly Selective Covalent Inhibitor of Bruton's Tyrosine Kinase. J Med Chem, Volume 63 (10), 2020";ChEMBL
MM472923;MM472923;Clc1ccccc1C1Cc2nccn2C1;SPZWSHWMHHYVPO-UHFFFAOYSA-N;218.69;2.88;44574935;;;CHEMBL449284;GENER;EPAM;25;0;"<a href=https://www.ebi.ac.uk/chembl/assay_report_card/CHEMBL1015850/  target=_blank>CHEMBL1015850</a>";;;;;;;;;-4.29;;;;;;;;;;;;"Whitlock GA, Brennan PE, Roberts LR, Stobie A.: Potent and selective alpha1A adrenoceptor partial agonists--novel imidazole frameworks. Bioorg Med Chem Lett, Volume 19 (11), 2009";ChEMBL
MM472931;MM472931;CC(C)CNc1nc(C#N)nc(N2CCOCC2)c1N;LADNPCFYVROVIW-UHFFFAOYSA-N;276.34;0.83;25256832;;;CHEMBL450061;GENER;EPAM;25;0;"<a href=https://www.ebi.ac.uk/chembl/assay_report_card/CHEMBL1021996/  target=_blank>CHEMBL1021996</a>";;;;;;;;;-4.57;;;;;;;;;;;;"Morley AD, Kenny PW, Burton B, Heald RA, Macfaul PA, Mullett J, Page K, Porres SS, Ribeiro LR, Smith P, Ward S, Wilkinson TJ.: 5-Aminopyrimidin-2-ylnitriles as cathepsin K inhibitors. Bioorg Med Chem Lett, Volume 19 (6), 2009";ChEMBL
MM472026;MM472026;Cc1cc(CC(NC(=O)N2CCC(N3Cc4cccc(F)c4NC3=O)CC2)C(=O)N2CCC(N3CCCCC3)CC2)cc2cn[nH]c12;;644.8;4.62;44593666;;;CHEMBL450668;GENER;EPAM;25;0;"ph = 7.4, <a href=https://www.ebi.ac.uk/chembl/assay_report_card/CHEMBL2433978/  target=_blank>CHEMBL2433978</a>";;;;;;;;;-5.96;;;;;;;;;;;;"Tora G, Degnan AP, Conway CM, Kostich WA, Davis CD, Pin SS, Schartman R, Xu C, Widmann KA, Macor JE, Dubowchik GM.: Preparation of imidazoles as potent calcitonin gene-related peptide (CGRP) antagonists. Bioorg Med Chem Lett, Volume 23 (20), 2013";ChEMBL
MM472026;MM472026;Cc1cc(CC(NC(=O)N2CCC(N3Cc4cccc(F)c4NC3=O)CC2)C(=O)N2CCC(N3CCCCC3)CC2)cc2cn[nH]c12;;644.8;4.62;44593666;;;CHEMBL450668;GENER;EPAM;25;0;"<a href=https://www.ebi.ac.uk/chembl/assay_report_card/CHEMBL3773901/  target=_blank>CHEMBL3773901</a>";;;;;;;;;-5.96;;;;;;;;;;;;"Civiello RL, Han X, Beno BR, Chaturvedula PV, Herbst JJ, Xu C, Conway CM, Macor JE, Dubowchik GM.: Synthesis and SAR of calcitonin gene-related peptide (CGRP) antagonists containing substituted aryl-piperazines and piperidines. Bioorg Med Chem Lett, Volume 26 (4), 2016";ChEMBL
MM471947;MM471947;CN1CCN(C)/C(=N/c2ccc([N+](=O)[O-])cc2C(=O)Nc2ccccc2)C1;DCAMTBFFNOHDAW-DYTRJAOYSA-N;367.41;2.75;;;;;BBB;EPAM;25;+1,-1;"ph = 7.4, <a href=https://www.ebi.ac.uk/chembl/assay_report_card/CHEMBL3389061/  target=_blank>CHEMBL3389061</a>";;;;;;;;;-4.89;;;;;;;;;;;;"Schroeder CE, Yao T, Sotsky J, Smith RA, Roy S, Chu YK, Guo H, Tower NA, Noah JW, McKellip S, Sosa M, Rasmussen L, Smith LH, White EL, Aubé J, Jonsson CB, Chung D, Golden JE.: Development of (E)-2-((1,4-dimethylpiperazin-2-ylidene)amino)-5-nitro-N-phenylbenzamide, ML336: Novel 2-amidinophenylbenzamides as potent inhibitors of venezuelan equine encephalitis virus. J Med Chem, Volume 57 (20), 2014";ChEMBL
MM474018;MM474018;O=C(C=Cc1ccc(O)c(O)c1)OCCc1ccccc1;;284.31;2.9;5281787;;;CHEMBL319244;BBB;EPAM;25;0;"<a href=https://www.ebi.ac.uk/chembl/assay_report_card/CHEMBL2415138/  target=_blank>CHEMBL2415138</a>";;;;;;;;;-5.74;;;;;;;;;;;;"Ning X, Guo Y, Ma X, Zhu R, Tian C, Zhang Z, Wang X, Ma Z, Liu J.: Design, synthesis and pharmacological evaluation of (E)-3,4-dihydroxy styryl sulfonamides derivatives as multifunctional neuroprotective agents against oxidative and inflammatory injury. Bioorg Med Chem, Volume 21 (17), 2013";ChEMBL
MM472325;MM472325;C=CC(=O)N1CC(Oc2c(N)ncnc2-c2cc(F)cc(NC(=O)c3ccc(C(C)(C)O)cc3F)c2C)C1;LTGWTXPFFDPZEI-UHFFFAOYSA-N;523.54;3.57;155538856;;;CHEMBL4513614;GENER;EPAM;25;0;"ph = 6.8, <a href=https://www.ebi.ac.uk/chembl/assay_report_card/CHEMBL4358497/  target=_blank>CHEMBL4358497</a>";;;;;;;;;-6.6;;;;;;;;;;;;"Angst D, Gessier F, Janser P, Vulpetti A, Wälchli R, Beerli C, Littlewood-Evans A, Dawson J, Nuesslein-Hildesheim B, Wieczorek G, Gutmann S, Scheufler C, Hinniger A, Zimmerlin A, Funhoff EG, Pulz R, Cenni B.: Discovery of LOU064 (Remibrutinib), a Potent and Highly Selective Covalent Inhibitor of Bruton's Tyrosine Kinase. J Med Chem, Volume 63 (10), 2020";ChEMBL
MM474018;MM474018;O=C(C=Cc1ccc(O)c(O)c1)OCCc1ccccc1;;284.31;2.9;5281787;;;CHEMBL319244;BBB;EPAM;25;0;"<a href=https://www.ebi.ac.uk/chembl/assay_report_card/CHEMBL3266342/  target=_blank>CHEMBL3266342</a>";;;;;;;;;-5.74;;;;;;;;;;;;"Ning X, Guo Y, Wang X, Ma X, Tian C, Shi X, Zhu R, Cheng C, Du Y, Ma Z, Zhang Z, Liu J.: Design, synthesis, and biological evaluation of (e)-3,4-dihydroxystyryl aralkyl sulfones and sulfoxides as novel multifunctional neuroprotective agents. J Med Chem, Volume 57 (10), 2014";ChEMBL
MM472248;MM472248;Nc1c(C(=O)NC2CCc3cc(OCc4ccccc4)ccc32)[nH]c(=O)[nH]c1=O;LZSVSZJDLSTBAJ-MRXNPFEDSA-N;392.42;1.64;117926300;;;CHEMBL4513722;GENER;EPAM;25;0;"ph = 7.4, <a href=https://www.ebi.ac.uk/chembl/assay_report_card/CHEMBL4327022/  target=_blank>CHEMBL4327022</a>";;;;;;;;;-4.11;;;;;;;;;;;;"Hu CH, Wang TC, Qiao JX, Haque L, Chen AYA, Taylor DS, Ying X, Onorato JM, Galella M, Shen H, Huang CS, Toussaint N, Li YX, Abell L, Adam LP, Gordon D, Wexler RR, Finlay HJ.: Discovery and synthesis of tetrahydropyrimidinedione-4-carboxamides as endothelial lipase inhibitors. Bioorg Med Chem Lett, Volume 28 (23-24), 2018";ChEMBL
MM474062;MM474062;Cc1ccc2nc(NC(=O)Cc3cccc(Cl)c3)sc2c1;SADMGZAEISPPFX-UHFFFAOYSA-N;316.81;4.44;53352108;;;CHEMBL3235535;BBB;EPAM;25;0;"<a href=https://www.ebi.ac.uk/chembl/assay_report_card/CHEMBL3239333/  target=_blank>CHEMBL3239333</a>";;;;;;;;;-5.25;;;;;;;;;;;;"Salado IG, Redondo M, Bello ML, Perez C, Liachko NF, Kraemer BC, Miguel L, Lecourtois M, Gil C, Martinez A, Perez DI.: Protein kinase CK-1 inhibitors as new potential drugs for amyotrophic lateral sclerosis. J Med Chem, Volume 57 (6), 2014";ChEMBL
MM473701;MM473701;CN1CCCc2c1nc(N1CCC3(CC1)CN(CCO)c1cc(F)cc(F)c13)[nH]c2=O;VXRWQCMYTRYKQD-UHFFFAOYSA-N;431.49;1.78;138594235;;;CHEMBL4518341;GENER;EPAM;25;0;"<a href=https://www.ebi.ac.uk/chembl/assay_report_card/CHEMBL4345400/  target=_blank>CHEMBL4345400</a>";;;;;;;;;-5.48;;;;;;;;;;;;"Shirai F, Mizutani A, Yashiroda Y, Tsumura T, Kano Y, Muramatsu Y, Chikada T, Yuki H, Niwa H, Sato S, Washizuka K, Koda Y, Mazaki Y, Jang MK, Yoshida H, Nagamori A, Okue M, Watanabe T, Kitamura K, Shitara E, Honma T, Umehara T, Shirouzu M, Fukami T, Seimiya H, Yoshida M, Koyama H.: Design and Discovery of an Orally Efficacious Spiroindolinone-Based Tankyrase Inhibitor for the Treatment of Colon Cancer. J Med Chem, Volume 63 (8), 2020";ChEMBL
MM474063;MM474063;O=C(Cc1cccc(Cl)c1)Nc1nc2ccc(C(F)(F)F)cc2s1;OFFILALBDDWJHK-UHFFFAOYSA-N;370.78;5.15;77106258;;;CHEMBL3235538;BBB;EPAM;25;0;"<a href=https://www.ebi.ac.uk/chembl/assay_report_card/CHEMBL3239333/  target=_blank>CHEMBL3239333</a>";;;;;;;;;-4.95;;;;;;;;;;;;"Salado IG, Redondo M, Bello ML, Perez C, Liachko NF, Kraemer BC, Miguel L, Lecourtois M, Gil C, Martinez A, Perez DI.: Protein kinase CK-1 inhibitors as new potential drugs for amyotrophic lateral sclerosis. J Med Chem, Volume 57 (6), 2014";ChEMBL
MM473656;MM473656;O=C(NCc1cccc2c1OCCO2)c1ccc(-c2ccncc2)cc1;FWFHXPGGGOSSPF-UHFFFAOYSA-N;346.39;3.45;134823958;;;CHEMBL4522042;GENER;EPAM;25;0;"<a href=https://www.ebi.ac.uk/chembl/assay_report_card/CHEMBL4328672/  target=_blank>CHEMBL4328672</a>";;;;;;;;;-4.83;;;;;;;;;;;;"Hobson AD, Judge RA, Aguirre AL, Brown BS, Cui Y, Ding P, Dominguez E, DiGiammarino E, Egan DA, Freiberg GM, Gopalakrishnan SM, Harris CM, Honore MP, Kage KL, Kapecki NJ, Ling C, Ma J, Mack H, Mamo M, Maurus S, McRae B, Moore NS, Mueller BK, Mueller R, Namovic MT, Patel K, Pratt SD, Putman CB, Queeney KL, Sarris KK, Schaffter LM, Stoll V, Vasudevan A, Wang L, Wang L, Wirthl W, Yach K.: Identification of Selective Dual ROCK1 and ROCK2 Inhibitors Using Structure-Based Drug Design. J Med Chem, Volume 61 (24), 2018";ChEMBL
MM474730;MM474730;NC(=O)c1cc(-c2ccccc2)cc2c(C3CCN(S(=O)(=O)CCCNC4CCCC4)CC3)c[nH]c12;XQIGPOYHURHPMV-UHFFFAOYSA-N;508.69;4.37;68790681;;;CHEMBL4522110;GENER;EPAM;25;0;"<a href=https://www.ebi.ac.uk/chembl/assay_report_card/CHEMBL4329666/  target=_blank>CHEMBL4329666</a>";;;;;;;;;-4.85;;;;;;;;;;;;"Kerns JK, Busch-Petersen J, Fu W, Boehm JC, Nie H, Muratore M, Bullion A, Lin G, Li H, Davis R, Lin X, Lakdawala AS, Cousins R, Field R, Payne J, Miller DD, Bamborough P, Christopher JA, Baldwin I, Osborn RR, Yonchuk J, Webb E, Rumsey WL.: 3,5-Disubstituted-indole-7-carboxamides as IKKβ Inhibitors: Optimization of Oral Activity via the C3 Substituent. ACS Med Chem Lett, Volume 9 (12), 2018";ChEMBL
MM474064;MM474064;O=C(Cc1ccc(Cl)cc1)Nc1nc2ccc(C(F)(F)F)cc2s1;FFCHXVZAEOJLBQ-UHFFFAOYSA-N;370.78;5.15;77106256;;;CHEMBL3235545;BBB;EPAM;25;0;"<a href=https://www.ebi.ac.uk/chembl/assay_report_card/CHEMBL3239333/  target=_blank>CHEMBL3239333</a>";;;;;;;;;-5.02;;;;;;;;;;;;"Salado IG, Redondo M, Bello ML, Perez C, Liachko NF, Kraemer BC, Miguel L, Lecourtois M, Gil C, Martinez A, Perez DI.: Protein kinase CK-1 inhibitors as new potential drugs for amyotrophic lateral sclerosis. J Med Chem, Volume 57 (6), 2014";ChEMBL
MM473672;MM473672;CCC(C)C1NC(=O)C(Cc2ccc(O)cc2)N(C)C(=O)C(C)NC(=O)CN(C)C(=O)C2CCCN2C(=O)C(Cc2ccccc2)N(C)C(=O)C(CC(C)C)NC1=O;UJPLBRUBHDNNPT-MIOOMGNISA-N;804;1.86;155543086;;;CHEMBL4522372;GENER;EPAM;25;0;"<a href=https://www.ebi.ac.uk/chembl/assay_report_card/CHEMBL4328889/  target=_blank>CHEMBL4328889</a>";;;;;;;;;-5.92;;;;;;;;;;;;"Naylor MR, Ly AM, Handford MJ, Ramos DP, Pye CR, Furukawa A, Klein VG, Noland RP, Edmondson Q, Turmon AC, Hewitt WM, Schwochert J, Townsend CE, Kelly CN, Blanco MJ, Lokey RS.: Lipophilic Permeability Efficiency Reconciles the Opposing Roles of Lipophilicity in Membrane Permeability and Aqueous Solubility. J Med Chem, Volume 61 (24), 2018";ChEMBL
MM474065;MM474065;COc1ccccc1CC(=O)Nc1nc2ccc(C(F)(F)F)cc2s1;LNDJSDMEFMMOSK-UHFFFAOYSA-N;366.36;4.5;77106468;;;CHEMBL3235552;BBB;EPAM;25;0;"<a href=https://www.ebi.ac.uk/chembl/assay_report_card/CHEMBL3239333/  target=_blank>CHEMBL3239333</a>";;;;;;;;;-4.95;;;;;;;;;;;;"Salado IG, Redondo M, Bello ML, Perez C, Liachko NF, Kraemer BC, Miguel L, Lecourtois M, Gil C, Martinez A, Perez DI.: Protein kinase CK-1 inhibitors as new potential drugs for amyotrophic lateral sclerosis. J Med Chem, Volume 57 (6), 2014";ChEMBL
MM474066;MM474066;COc1cccc(CC(=O)Nc2nc3ccc(C(F)(F)F)cc3s2)c1;BSYSLYHIEAROBS-UHFFFAOYSA-N;366.36;4.5;77106466;;;CHEMBL3235556;BBB;EPAM;25;0;"<a href=https://www.ebi.ac.uk/chembl/assay_report_card/CHEMBL3239333/  target=_blank>CHEMBL3239333</a>";;;;;;;;;-4.95;;;;;;;;;;;;"Salado IG, Redondo M, Bello ML, Perez C, Liachko NF, Kraemer BC, Miguel L, Lecourtois M, Gil C, Martinez A, Perez DI.: Protein kinase CK-1 inhibitors as new potential drugs for amyotrophic lateral sclerosis. J Med Chem, Volume 57 (6), 2014";ChEMBL
MM474729;MM474729;NC(=O)c1cc(-c2ccccc2)cc2c(C3CCN(S(=O)(=O)CCCN4CCCCCC4)CC3)c[nH]c12;RZYUQVVDRRDXNT-UHFFFAOYSA-N;522.72;4.71;68794144;;;CHEMBL4522601;GENER;EPAM;25;0;"<a href=https://www.ebi.ac.uk/chembl/assay_report_card/CHEMBL4329666/  target=_blank>CHEMBL4329666</a>";;;;;;;;;-4.54;;;;;;;;;;;;"Kerns JK, Busch-Petersen J, Fu W, Boehm JC, Nie H, Muratore M, Bullion A, Lin G, Li H, Davis R, Lin X, Lakdawala AS, Cousins R, Field R, Payne J, Miller DD, Bamborough P, Christopher JA, Baldwin I, Osborn RR, Yonchuk J, Webb E, Rumsey WL.: 3,5-Disubstituted-indole-7-carboxamides as IKKβ Inhibitors: Optimization of Oral Activity via the C3 Substituent. ACS Med Chem Lett, Volume 9 (12), 2018";ChEMBL
MM474067;MM474067;O=C(Cc1cccc(C(F)(F)F)c1)Nc1nc2ccc(C(F)(F)F)cc2s1;CBWVOWROPNQRTF-UHFFFAOYSA-N;404.34;5.52;;;;;BBB;EPAM;25;0;"<a href=https://www.ebi.ac.uk/chembl/assay_report_card/CHEMBL3239333/  target=_blank>CHEMBL3239333</a>";;;;;;;;;-5.19;;;;;;;;;;;;"Salado IG, Redondo M, Bello ML, Perez C, Liachko NF, Kraemer BC, Miguel L, Lecourtois M, Gil C, Martinez A, Perez DI.: Protein kinase CK-1 inhibitors as new potential drugs for amyotrophic lateral sclerosis. J Med Chem, Volume 57 (6), 2014";ChEMBL
MM474732;MM474732;CN(C)CCS(=O)(=O)N1CCC(c2c[nH]c3c(C(N)=O)cc(-c4ccccc4)cc23)CC1;MJWPHYZQZROWPH-UHFFFAOYSA-N;454.6;3;11496203;;;CHEMBL4529539;GENER;EPAM;25;0;"<a href=https://www.ebi.ac.uk/chembl/assay_report_card/CHEMBL4329666/  target=_blank>CHEMBL4329666</a>";;;;;;;;;-4.57;;;;;;;;;;;;"Kerns JK, Busch-Petersen J, Fu W, Boehm JC, Nie H, Muratore M, Bullion A, Lin G, Li H, Davis R, Lin X, Lakdawala AS, Cousins R, Field R, Payne J, Miller DD, Bamborough P, Christopher JA, Baldwin I, Osborn RR, Yonchuk J, Webb E, Rumsey WL.: 3,5-Disubstituted-indole-7-carboxamides as IKKβ Inhibitors: Optimization of Oral Activity via the C3 Substituent. ACS Med Chem Lett, Volume 9 (12), 2018";ChEMBL
MM474068;MM474068;COc1ccc(CC(=O)Nc2nc3ccc(C(F)(F)F)cc3s2)cc1;HNMDQVLCDNBURA-UHFFFAOYSA-N;366.36;4.5;77106257;;;CHEMBL3235560;BBB;EPAM;25;0;"<a href=https://www.ebi.ac.uk/chembl/assay_report_card/CHEMBL3239333/  target=_blank>CHEMBL3239333</a>";;;;;;;;;-4.84;;;;;;;;;;;;"Salado IG, Redondo M, Bello ML, Perez C, Liachko NF, Kraemer BC, Miguel L, Lecourtois M, Gil C, Martinez A, Perez DI.: Protein kinase CK-1 inhibitors as new potential drugs for amyotrophic lateral sclerosis. J Med Chem, Volume 57 (6), 2014";ChEMBL
MM472278;MM472278;CN(C(=O)CCSc1nc2cc(Cl)ccc2o1)C1CCS(=O)(=O)CC1;MGTOZWPIBUSAKO-UHFFFAOYSA-N;402.93;3;155546243;;;CHEMBL4530613;GENER;EPAM;25;0;"ph = 7.4, <a href=https://www.ebi.ac.uk/chembl/assay_report_card/CHEMBL4359384/  target=_blank>CHEMBL4359384</a>";;;;;;;;;-4.36;;;;;;;;;;;;"Moure AL, Narula G, Sorrentino F, Bojang A, Tsui CKM, Sao Emani C, Porras-De Francisco E, Díaz B, Rebollo-López MJ, Torres-Gómez PA, López-Román EM, Camino I, Casado Castro P, Guijarro López L, Ortega F, Ballell L, Barros-Aguirre D, Remuiñán Blanco M, Av-Gay Y.: MymA Bioactivated Thioalkylbenzoxazole Prodrug Family Active against Mycobacterium tuberculosis. J Med Chem, Volume 63 (9), 2020";ChEMBL
MM474069;MM474069;O=C(Cc1ccccc1)Nc1nc2ccc(C(F)(F)F)cc2s1;WYPGOAOLLLOOOT-UHFFFAOYSA-N;336.34;4.5;77106470;;;CHEMBL3235563;BBB;EPAM;25;0;"<a href=https://www.ebi.ac.uk/chembl/assay_report_card/CHEMBL3239333/  target=_blank>CHEMBL3239333</a>";;;;;;;;;-5.36;;;;;;;;;;;;"Salado IG, Redondo M, Bello ML, Perez C, Liachko NF, Kraemer BC, Miguel L, Lecourtois M, Gil C, Martinez A, Perez DI.: Protein kinase CK-1 inhibitors as new potential drugs for amyotrophic lateral sclerosis. J Med Chem, Volume 57 (6), 2014";ChEMBL
MM473674;MM473674;CC(C)CC1NC(=O)C(C)NC(=O)C(Cc2ccc(O)cc2)N(C)C(=O)C(Cc2ccccc2)NC(=O)CN(C)C(=O)C2CCCN2C(=O)C(Cc2ccccc2)N(C)C1=O;JVHOHVFBQNZHPH-DVEPYYBOSA-N;838.02;2.06;155546348;;;CHEMBL4531855;GENER;EPAM;25;0;"<a href=https://www.ebi.ac.uk/chembl/assay_report_card/CHEMBL4328889/  target=_blank>CHEMBL4328889</a>";;;;;;;;;-6.7;;;;;;;;;;;;"Naylor MR, Ly AM, Handford MJ, Ramos DP, Pye CR, Furukawa A, Klein VG, Noland RP, Edmondson Q, Turmon AC, Hewitt WM, Schwochert J, Townsend CE, Kelly CN, Blanco MJ, Lokey RS.: Lipophilic Permeability Efficiency Reconciles the Opposing Roles of Lipophilicity in Membrane Permeability and Aqueous Solubility. J Med Chem, Volume 61 (24), 2018";ChEMBL
MM474070;MM474070;O=C(Cc1ccc(Cl)c(Cl)c1)Nc1nc2ccc(C(F)(F)F)cc2s1;DQDNGISSIMQYGZ-UHFFFAOYSA-N;405.23;5.8;77106469;;;CHEMBL3235564;BBB;EPAM;25;0;"<a href=https://www.ebi.ac.uk/chembl/assay_report_card/CHEMBL3239333/  target=_blank>CHEMBL3239333</a>";;;;;;;;;-5.85;;;;;;;;;;;;"Salado IG, Redondo M, Bello ML, Perez C, Liachko NF, Kraemer BC, Miguel L, Lecourtois M, Gil C, Martinez A, Perez DI.: Protein kinase CK-1 inhibitors as new potential drugs for amyotrophic lateral sclerosis. J Med Chem, Volume 57 (6), 2014";ChEMBL
MM474071;MM474071;COc1cc(CC(=O)Nc2nc3ccc(OC(F)(F)F)cc3s2)cc(OC)c1OC;XFMGNNWDEWESGX-UHFFFAOYSA-N;442.42;4.4;27899321;;;CHEMBL3235569;BBB;EPAM;25;0;"<a href=https://www.ebi.ac.uk/chembl/assay_report_card/CHEMBL3239333/  target=_blank>CHEMBL3239333</a>";;;;;;;;;-5.59;;;;;;;;;;;;"Salado IG, Redondo M, Bello ML, Perez C, Liachko NF, Kraemer BC, Miguel L, Lecourtois M, Gil C, Martinez A, Perez DI.: Protein kinase CK-1 inhibitors as new potential drugs for amyotrophic lateral sclerosis. J Med Chem, Volume 57 (6), 2014";ChEMBL
MM473669;MM473669;CCC(C)C1NC(=O)C(Cc2ccc(O)cc2)N(C)C(=O)C(Cc2ccccc2)NC(=O)CN(C)C(=O)C(C)N(C)C(=O)C(Cc2ccccc2)N(C)C(=O)C(CC(C)C)NC1=O;JKMZYVDMWFVTOG-UHBHIHBYSA-N;868.09;2.94;155546736;;;CHEMBL4532493;GENER;EPAM;25;0;"<a href=https://www.ebi.ac.uk/chembl/assay_report_card/CHEMBL4328889/  target=_blank>CHEMBL4328889</a>";;;;;;;;;-5.11;;;;;;;;;;;;"Naylor MR, Ly AM, Handford MJ, Ramos DP, Pye CR, Furukawa A, Klein VG, Noland RP, Edmondson Q, Turmon AC, Hewitt WM, Schwochert J, Townsend CE, Kelly CN, Blanco MJ, Lokey RS.: Lipophilic Permeability Efficiency Reconciles the Opposing Roles of Lipophilicity in Membrane Permeability and Aqueous Solubility. J Med Chem, Volume 61 (24), 2018";ChEMBL
MM474072;MM474072;COc1cc(CC(=O)Nc2nc3ccc(C(F)(F)F)cc3s2)cc(OC)c1OC;WASKXAYAHHDTQA-UHFFFAOYSA-N;426.42;4.52;76853170;;;CHEMBL3235572;BBB;EPAM;25;0;"<a href=https://www.ebi.ac.uk/chembl/assay_report_card/CHEMBL3239333/  target=_blank>CHEMBL3239333</a>";;;;;;;;;-5.14;;;;;;;;;;;;"Salado IG, Redondo M, Bello ML, Perez C, Liachko NF, Kraemer BC, Miguel L, Lecourtois M, Gil C, Martinez A, Perez DI.: Protein kinase CK-1 inhibitors as new potential drugs for amyotrophic lateral sclerosis. J Med Chem, Volume 57 (6), 2014";ChEMBL
MM473692;MM473692;COc1cc(C(=O)N2CCCC(c3cc4ncccc4[nH]3)C2)on1;SOOXOFOIQRSLHO-UHFFFAOYSA-N;326.36;2.58;155547470;;;CHEMBL4532870;GENER;EPAM;25;0;"<a href=https://www.ebi.ac.uk/chembl/assay_report_card/CHEMBL4343676/  target=_blank>CHEMBL4343676</a>";;;;;;;;;-5.2;;;;;;;;;;;;"Koovits PJ, Dessoy MA, Matheeussen A, Maes L, Caljon G, Mowbray CE, Kratz JM, Dias LC.: Structure-activity relationship of 4-azaindole-2-piperidine derivatives as agents against Trypanosoma cruzi. Bioorg Med Chem Lett, Volume 30 (1), 2020";ChEMBL
MM474086;MM474086;O=C(CCN1CCCCC1)n1c2ccccc2sc2ccc(Cl)cc2n1C(=O)CCN1CCCCC1;SXNRIIWYGZDKOQ-UHFFFAOYSA-N;527.13;6.47;;;;;BBB;EPAM;25;0;"<a href=https://www.ebi.ac.uk/chembl/assay_report_card/CHEMBL3265475/  target=_blank>CHEMBL3265475</a>";;;;;;;;;-5.28;;;;;;;;;;;;"González-Muñoz GC, Arce MP, Pérez C, Romero A, Villarroya M, López MG, Conde S, Rodríguez-Franco MI.: Dibenzo[1,4,5]thiadiazepine: a hardly-known heterocyclic system with neuroprotective properties of potential usefulness in the treatment of neurodegenerative diseases. Eur J Med Chem, Volume 81, 2014";ChEMBL
MM473670;MM473670;CCC(C)C1NC(=O)C(Cc2ccc(O)cc2)N(C)C(=O)C(Cc2ccccc2)NC(=O)CN(C)C(=O)C2CCCN2C(=O)C(Cc2ccccc2)N(C)C(=O)C(C)NC1=O;KPQGGRZHBCOCEF-MEEIFQKNSA-N;838.02;2.06;155547272;;;CHEMBL4533249;GENER;EPAM;25;0;"<a href=https://www.ebi.ac.uk/chembl/assay_report_card/CHEMBL4328889/  target=_blank>CHEMBL4328889</a>";;;;;;;;;-5.66;;;;;;;;;;;;"Naylor MR, Ly AM, Handford MJ, Ramos DP, Pye CR, Furukawa A, Klein VG, Noland RP, Edmondson Q, Turmon AC, Hewitt WM, Schwochert J, Townsend CE, Kelly CN, Blanco MJ, Lokey RS.: Lipophilic Permeability Efficiency Reconciles the Opposing Roles of Lipophilicity in Membrane Permeability and Aqueous Solubility. J Med Chem, Volume 61 (24), 2018";ChEMBL
MM474103;MM474103;O=S(=O)(C=Cc1ccc(O)c(O)c1)Cc1ccccc1;ACKIBSNQJXTTPE-CMDGGOBGSA-N;290.34;2.68;90675391;;;CHEMBL3259964;BBB;EPAM;25;0;"<a href=https://www.ebi.ac.uk/chembl/assay_report_card/CHEMBL3266342/  target=_blank>CHEMBL3266342</a>";;;;;;;;;-5;;;;;;;;;;;;"Ning X, Guo Y, Wang X, Ma X, Tian C, Shi X, Zhu R, Cheng C, Du Y, Ma Z, Zhang Z, Liu J.: Design, synthesis, and biological evaluation of (e)-3,4-dihydroxystyryl aralkyl sulfones and sulfoxides as novel multifunctional neuroprotective agents. J Med Chem, Volume 57 (10), 2014";ChEMBL
MM472256;MM472256;CCNc1cc2oc(-c3ccc(F)cc3)c(C(=O)NC)c2cc1-c1ccc(OC)c(C(=O)NC2(c3ncccn3)CC2)c1;RDPCCBKYRUVARX-UHFFFAOYSA-N;579.63;5.92;155546880;;;CHEMBL4534277;GENER;EPAM;25;0;"ph = 7.4, <a href=https://www.ebi.ac.uk/chembl/assay_report_card/CHEMBL4329907/  target=_blank>CHEMBL4329907</a>";;;;;;;;;-4.14;;;;;;;;;;;;"Yeung KS, Beno BR, Mosure K, Zhu J, Grant-Young KA, Parcella K, Anjanappa P, Bora RO, Selvakumar K, Wang YK, Fang H, Krause R, Rigat K, Liu M, Lemm J, Sheriff S, Witmer M, Tredup J, Jardel A, Kish K, Parker D, Haskell R, Santone K, Meanwell NA, Soars MG, Roberts SB, Kadow JF.: Structure-Property Basis for Solving Transporter-Mediated Efflux and Pan-Genotypic Inhibition in HCV NS5B Inhibitors. ACS Med Chem Lett, Volume 9 (12), 2018";ChEMBL
MM474725;MM474725;CCN(CC)CCCS(=O)(=O)N1CCC(c2c[nH]c3c(C(N)=O)cc(-c4ccccc4)cc23)CC1;VQIIDCSRXUTGCN-UHFFFAOYSA-N;496.68;4.17;68792332;;;CHEMBL4536493;GENER;EPAM;25;0;"<a href=https://www.ebi.ac.uk/chembl/assay_report_card/CHEMBL4329666/  target=_blank>CHEMBL4329666</a>";;;;;;;;;-4.7;;;;;;;;;;;;"Kerns JK, Busch-Petersen J, Fu W, Boehm JC, Nie H, Muratore M, Bullion A, Lin G, Li H, Davis R, Lin X, Lakdawala AS, Cousins R, Field R, Payne J, Miller DD, Bamborough P, Christopher JA, Baldwin I, Osborn RR, Yonchuk J, Webb E, Rumsey WL.: 3,5-Disubstituted-indole-7-carboxamides as IKKβ Inhibitors: Optimization of Oral Activity via the C3 Substituent. ACS Med Chem Lett, Volume 9 (12), 2018";ChEMBL
MM474104;MM474104;O=S(=O)(C=Cc1ccc(O)c(O)c1)CCc1ccccc1;FDORRDQRBHRNIT-PKNBQFBNSA-N;304.37;2.73;90675392;;;CHEMBL3259965;BBB;EPAM;25;0;"<a href=https://www.ebi.ac.uk/chembl/assay_report_card/CHEMBL3266342/  target=_blank>CHEMBL3266342</a>";;;;;;;;;-5.24;;;;;;;;;;;;"Ning X, Guo Y, Wang X, Ma X, Tian C, Shi X, Zhu R, Cheng C, Du Y, Ma Z, Zhang Z, Liu J.: Design, synthesis, and biological evaluation of (e)-3,4-dihydroxystyryl aralkyl sulfones and sulfoxides as novel multifunctional neuroprotective agents. J Med Chem, Volume 57 (10), 2014";ChEMBL
MM474105;MM474105;O=S(=O)(C=Cc1ccc(O)c(O)c1)CCCc1ccccc1;HOFPAXCTYSZKBT-ZRDIBKRKSA-N;318.39;3.12;86765177;;;CHEMBL3259966;BBB;EPAM;25;0;"<a href=https://www.ebi.ac.uk/chembl/assay_report_card/CHEMBL3266342/  target=_blank>CHEMBL3266342</a>";;;;;;;;;-5.39;;;;;;;;;;;;"Ning X, Guo Y, Wang X, Ma X, Tian C, Shi X, Zhu R, Cheng C, Du Y, Ma Z, Zhang Z, Liu J.: Design, synthesis, and biological evaluation of (e)-3,4-dihydroxystyryl aralkyl sulfones and sulfoxides as novel multifunctional neuroprotective agents. J Med Chem, Volume 57 (10), 2014";ChEMBL
MM472331;MM472331;C=CC(=O)N1CCC[C@H]1COc1c(N)ncnc1-c1cc(F)cc(NC(=O)c2ccc(C3CC3)cc2F)c1C;ZJMZNFQDSWTHLP-FQEVSTJZSA-N;533.58;5;;;;;GENER;EPAM;25;0;"ph = 6.8, <a href=https://www.ebi.ac.uk/chembl/assay_report_card/CHEMBL4358497/  target=_blank>CHEMBL4358497</a>";;;;;;;;;-4.1;;;;;;;;;;;;"Angst D, Gessier F, Janser P, Vulpetti A, Wälchli R, Beerli C, Littlewood-Evans A, Dawson J, Nuesslein-Hildesheim B, Wieczorek G, Gutmann S, Scheufler C, Hinniger A, Zimmerlin A, Funhoff EG, Pulz R, Cenni B.: Discovery of LOU064 (Remibrutinib), a Potent and Highly Selective Covalent Inhibitor of Bruton's Tyrosine Kinase. J Med Chem, Volume 63 (10), 2020";ChEMBL
MM474106;MM474106;O=S(=O)(C=Cc1ccc(O)c(O)c1)CCCCc1ccccc1;QJDUGOIULSJWST-ACCUITESSA-N;332.42;3.51;90675393;;;CHEMBL3259967;BBB;EPAM;25;0;"<a href=https://www.ebi.ac.uk/chembl/assay_report_card/CHEMBL3266342/  target=_blank>CHEMBL3266342</a>";;;;;;;;;-5.39;;;;;;;;;;;;"Ning X, Guo Y, Wang X, Ma X, Tian C, Shi X, Zhu R, Cheng C, Du Y, Ma Z, Zhang Z, Liu J.: Design, synthesis, and biological evaluation of (e)-3,4-dihydroxystyryl aralkyl sulfones and sulfoxides as novel multifunctional neuroprotective agents. J Med Chem, Volume 57 (10), 2014";ChEMBL
MM474107;MM474107;O=S(=O)(C=Cc1ccc(O)c(O)c1)Cc1ccc(Cl)cc1;MEQQWYFEAJGXQV-BQYQJAHWSA-N;324.79;3.34;86765180;;;CHEMBL3259968;BBB;EPAM;25;0;"<a href=https://www.ebi.ac.uk/chembl/assay_report_card/CHEMBL3266342/  target=_blank>CHEMBL3266342</a>";;;;;;;;;-5.48;;;;;;;;;;;;"Ning X, Guo Y, Wang X, Ma X, Tian C, Shi X, Zhu R, Cheng C, Du Y, Ma Z, Zhang Z, Liu J.: Design, synthesis, and biological evaluation of (e)-3,4-dihydroxystyryl aralkyl sulfones and sulfoxides as novel multifunctional neuroprotective agents. J Med Chem, Volume 57 (10), 2014";ChEMBL
MM473673;MM473673;CCC(C)C1NC(=O)C(C)N(C)C(=O)C(Cc2ccccc2)NC(=O)CN(C)C(=O)C2CCCN2C(=O)C(Cc2ccccc2)N(C)C(=O)C(CC(C)C)NC1=O;XAYYGPXTFXAIPJ-DCUUSGBQSA-N;788;2.16;155548136;;;CHEMBL4537565;GENER;EPAM;25;0;"<a href=https://www.ebi.ac.uk/chembl/assay_report_card/CHEMBL4328889/  target=_blank>CHEMBL4328889</a>";;;;;;;;;-5.23;;;;;;;;;;;;"Naylor MR, Ly AM, Handford MJ, Ramos DP, Pye CR, Furukawa A, Klein VG, Noland RP, Edmondson Q, Turmon AC, Hewitt WM, Schwochert J, Townsend CE, Kelly CN, Blanco MJ, Lokey RS.: Lipophilic Permeability Efficiency Reconciles the Opposing Roles of Lipophilicity in Membrane Permeability and Aqueous Solubility. J Med Chem, Volume 61 (24), 2018";ChEMBL
MM474108;MM474108;CC(C)(C)c1ccc(CS(=O)(=O)C=Cc2ccc(O)c(O)c2)cc1;MRRQWXOIIXEPBR-ZHACJKMWSA-N;346.45;3.98;86765178;;;CHEMBL3259969;BBB;EPAM;25;0;"<a href=https://www.ebi.ac.uk/chembl/assay_report_card/CHEMBL3266342/  target=_blank>CHEMBL3266342</a>";;;;;;;;;-5.33;;;;;;;;;;;;"Ning X, Guo Y, Wang X, Ma X, Tian C, Shi X, Zhu R, Cheng C, Du Y, Ma Z, Zhang Z, Liu J.: Design, synthesis, and biological evaluation of (e)-3,4-dihydroxystyryl aralkyl sulfones and sulfoxides as novel multifunctional neuroprotective agents. J Med Chem, Volume 57 (10), 2014";ChEMBL
MM471781;MM471781;Cc1cc2cc(n1)-c1cnn(C)c1OCCCC(C)Cn1c(nc3ccc(CN4CCN(C)CC4)cc31)NC2=O;AIQBYZOTCIQTGW-HXUWFJFHSA-N;542.69;3.77;139600318;;;CHEMBL4537790;GENER;EPAM;25;0;"ph = 7.4, <a href=https://www.ebi.ac.uk/chembl/assay_report_card/CHEMBL4324133/  target=_blank>CHEMBL4324133</a>";;;;;;;;;-5.28;;;;;;;;;;;;"Engelhardt H, Böse D, Petronczki M, Scharn D, Bader G, Baum A, Bergner A, Chong E, Döbel S, Egger G, Engelhardt C, Ettmayer P, Fuchs JE, Gerstberger T, Gonnella N, Grimm A, Grondal E, Haddad N, Hopfgartner B, Kousek R, Krawiec M, Kriz M, Lamarre L, Leung J, Mayer M, Patel ND, Simov BP, Reeves JT, Schnitzer R, Schrenk A, Sharps B, Solca F, Stadtmüller H, Tan Z, Wunberg T, Zoephel A, McConnell DB.: Start Selective and Rigidify: The Discovery Path toward a Next Generation of EGFR Tyrosine Kinase Inhibitors. J Med Chem, Volume 62 (22), 2019";ChEMBL
MM473630;MM473630;Cc1nc(Nc2ncc(C(=O)Nc3c(C)cccc3Cl)s2)cc(N2CCNCC2)n1;DOBZFFWLHXORTB-UHFFFAOYSA-N;443.96;3.61;11669430;;;CHEMBL4538000;GENER;EPAM;25;0;"<a href=https://www.ebi.ac.uk/chembl/assay_report_card/CHEMBL4312050/  target=_blank>CHEMBL4312050</a>";;;;;;;;;-7.43;;;;;;;;;;;;"Richardson PL, Marin VL, Koeniger SL, Baranczak A, Wilsbacher JL, Kovar PJ, Bacon-Trusk PE, Cheng M, Hopkins TA, Haman ST, Vasudevan A.: Controlling cellular distribution of drugs with permeability modifying moieties. Medchemcomm, Volume 10 (6), 2019";ChEMBL
MM474109;MM474109;O=S(=O)(C=Cc1ccc(O)c(O)c1)Cc1ccc(C(F)(F)F)cc1;BNKVWMMTKPSBBO-BQYQJAHWSA-N;358.34;3.7;86765179;;;CHEMBL3259970;BBB;EPAM;25;0;"<a href=https://www.ebi.ac.uk/chembl/assay_report_card/CHEMBL3266342/  target=_blank>CHEMBL3266342</a>";;;;;;;;;-5.37;;;;;;;;;;;;"Ning X, Guo Y, Wang X, Ma X, Tian C, Shi X, Zhu R, Cheng C, Du Y, Ma Z, Zhang Z, Liu J.: Design, synthesis, and biological evaluation of (e)-3,4-dihydroxystyryl aralkyl sulfones and sulfoxides as novel multifunctional neuroprotective agents. J Med Chem, Volume 57 (10), 2014";ChEMBL
MM471786;MM471786;Cc1c(N2CCN(C)CC2)ccc2c3c(c(=O)oc12)CN(C(=O)c1ccc(NS(C)(=O)=O)c(F)c1)CC3;YIENLOQGUANJTL-UHFFFAOYSA-N;528.61;2.56;155549421;;;CHEMBL4538356;GENER;EPAM;25;0;"ph = 7.4, <a href=https://www.ebi.ac.uk/chembl/assay_report_card/CHEMBL4338138/  target=_blank>CHEMBL4338138</a>";;;;;;;;;-4.77;;;;;;;;;;;;"Kawai J, Toki T, Ota M, Inoue H, Takata Y, Asahi T, Suzuki M, Shimada T, Ono K, Suzuki K, Takaishi S, Ohki H, Matsui S, Tsutsumi S, Hirota Y, Nakayama K.: Discovery of a Potent, Selective, and Orally Available MTHFD2 Inhibitor (DS18561882) with in Vivo Antitumor Activity. J Med Chem, Volume 62 (22), 2019";ChEMBL
MM474110;MM474110;COc1ccc(CS(=O)(=O)C=Cc2ccc(O)c(O)c2)cc1;MHJXZBKJBVGXFH-CMDGGOBGSA-N;320.37;2.69;90675394;;;CHEMBL3259971;BBB;EPAM;25;0;"<a href=https://www.ebi.ac.uk/chembl/assay_report_card/CHEMBL3266342/  target=_blank>CHEMBL3266342</a>";;;;;;;;;-5.19;;;;;;;;;;;;"Ning X, Guo Y, Wang X, Ma X, Tian C, Shi X, Zhu R, Cheng C, Du Y, Ma Z, Zhang Z, Liu J.: Design, synthesis, and biological evaluation of (e)-3,4-dihydroxystyryl aralkyl sulfones and sulfoxides as novel multifunctional neuroprotective agents. J Med Chem, Volume 57 (10), 2014";ChEMBL
MM474111;MM474111;O=S(C=Cc1ccc(O)c(O)c1)Cc1ccccc1;OMRSMXKKEUZTSL-CMDGGOBGSA-N;274.34;3.02;90675395;;;CHEMBL3259972;BBB;EPAM;25;+1,-1;"<a href=https://www.ebi.ac.uk/chembl/assay_report_card/CHEMBL3266342/  target=_blank>CHEMBL3266342</a>";;;;;;;;;-5.31;;;;;;;;;;;;"Ning X, Guo Y, Wang X, Ma X, Tian C, Shi X, Zhu R, Cheng C, Du Y, Ma Z, Zhang Z, Liu J.: Design, synthesis, and biological evaluation of (e)-3,4-dihydroxystyryl aralkyl sulfones and sulfoxides as novel multifunctional neuroprotective agents. J Med Chem, Volume 57 (10), 2014";ChEMBL
MM473726;MM473726;CCNC(=O)c1cc2c(-c3cc(S(=O)(=O)CC)ccc3-c3ccccc3C)cn(C)c(=O)c2[nH]1;OANIEISAWKUQBJ-UHFFFAOYSA-N;477.59;4.05;;;;;GENER;EPAM;25;0;"<a href=https://www.ebi.ac.uk/chembl/assay_report_card/CHEMBL4346341/  target=_blank>CHEMBL4346341</a>";;;;;;;;;-4.99;;;;;;;;;;;;"Sheppard GS, Wang L, Fidanze SD, Hasvold LA, Liu D, Pratt JK, Park CH, Longenecker K, Qiu W, Torrent M, Kovar PJ, Bui M, Faivre E, Huang X, Lin X, Wilcox D, Zhang L, Shen Y, Albert DH, Magoc TJ, Rajaraman G, Kati WM, McDaniel KF.: Discovery of <i>N</i>-Ethyl-4-[2-(4-fluoro-2,6-dimethyl-phenoxy)-5-(1-hydroxy-1-methyl-ethyl)phenyl]-6-methyl-7-oxo-1<i>H</i>-pyrrolo[2,3-<i>c</i>]pyridine-2-carboxamide (ABBV-744), a BET Bromodomain Inhibitor with Selectivity for the Second Bromodomain. J Med Chem, Volume 63 (10), 2020";ChEMBL
MM472326;MM472326;C=CC(=O)N(C)CC=Cc1c(N)ncnc1-c1cc(F)cc(NC(=O)c2ccc(C3CC3)cc2F)c1C;CIPOFISKLHXNAY-AATRIKPKSA-N;503.55;5.1;155552417;;;CHEMBL4546324;GENER;EPAM;25;0;"ph = 6.8, <a href=https://www.ebi.ac.uk/chembl/assay_report_card/CHEMBL4358497/  target=_blank>CHEMBL4358497</a>";;;;;;;;;-4.5;;;;;;;;;;;;"Angst D, Gessier F, Janser P, Vulpetti A, Wälchli R, Beerli C, Littlewood-Evans A, Dawson J, Nuesslein-Hildesheim B, Wieczorek G, Gutmann S, Scheufler C, Hinniger A, Zimmerlin A, Funhoff EG, Pulz R, Cenni B.: Discovery of LOU064 (Remibrutinib), a Potent and Highly Selective Covalent Inhibitor of Bruton's Tyrosine Kinase. J Med Chem, Volume 63 (10), 2020";ChEMBL
MM474112;MM474112;O=S(C=Cc1ccc(O)c(O)c1)CCc1ccccc1;FBAYELUQECYPAN-PKNBQFBNSA-N;288.37;3.06;86765181;;;CHEMBL3259973;BBB;EPAM;25;+1,-1;"<a href=https://www.ebi.ac.uk/chembl/assay_report_card/CHEMBL3266342/  target=_blank>CHEMBL3266342</a>";;;;;;;;;-5.3;;;;;;;;;;;;"Ning X, Guo Y, Wang X, Ma X, Tian C, Shi X, Zhu R, Cheng C, Du Y, Ma Z, Zhang Z, Liu J.: Design, synthesis, and biological evaluation of (e)-3,4-dihydroxystyryl aralkyl sulfones and sulfoxides as novel multifunctional neuroprotective agents. J Med Chem, Volume 57 (10), 2014";ChEMBL
MM471787;MM471787;Cc1c(N2CCN(C)CC2)ccc2c3c(c(=O)oc12)CN(C(=O)c1ccc(NS(C)(=O)=O)c(Cl)c1)CC3;;545.06;3.08;134559895;;;CHEMBL4546647;GENER;EPAM;25;0;"ph = 5, <a href=https://www.ebi.ac.uk/chembl/assay_report_card/CHEMBL4338155/  target=_blank>CHEMBL4338155</a>";;;;;;;;;-5.14;;;;;;;;;;;;"Kawai J, Toki T, Ota M, Inoue H, Takata Y, Asahi T, Suzuki M, Shimada T, Ono K, Suzuki K, Takaishi S, Ohki H, Matsui S, Tsutsumi S, Hirota Y, Nakayama K.: Discovery of a Potent, Selective, and Orally Available MTHFD2 Inhibitor (DS18561882) with in Vivo Antitumor Activity. J Med Chem, Volume 62 (22), 2019";ChEMBL
MM474113;MM474113;O=S(C=Cc1ccc(O)c(O)c1)CCCc1ccccc1;RSGRALUGUPVZEX-ZRDIBKRKSA-N;302.4;3.45;90675396;;;CHEMBL3259974;BBB;EPAM;25;+1,-1;"<a href=https://www.ebi.ac.uk/chembl/assay_report_card/CHEMBL3266342/  target=_blank>CHEMBL3266342</a>";;;;;;;;;-5.04;;;;;;;;;;;;"Ning X, Guo Y, Wang X, Ma X, Tian C, Shi X, Zhu R, Cheng C, Du Y, Ma Z, Zhang Z, Liu J.: Design, synthesis, and biological evaluation of (e)-3,4-dihydroxystyryl aralkyl sulfones and sulfoxides as novel multifunctional neuroprotective agents. J Med Chem, Volume 57 (10), 2014";ChEMBL
MM471787;MM471787;Cc1c(N2CCN(C)CC2)ccc2c3c(c(=O)oc12)CN(C(=O)c1ccc(NS(C)(=O)=O)c(Cl)c1)CC3;;545.06;3.08;134559895;;;CHEMBL4546647;GENER;EPAM;25;0;"ph = 7.4, <a href=https://www.ebi.ac.uk/chembl/assay_report_card/CHEMBL4338138/  target=_blank>CHEMBL4338138</a>";;;;;;;;;-4.51;;;;;;;;;;;;"Kawai J, Toki T, Ota M, Inoue H, Takata Y, Asahi T, Suzuki M, Shimada T, Ono K, Suzuki K, Takaishi S, Ohki H, Matsui S, Tsutsumi S, Hirota Y, Nakayama K.: Discovery of a Potent, Selective, and Orally Available MTHFD2 Inhibitor (DS18561882) with in Vivo Antitumor Activity. J Med Chem, Volume 62 (22), 2019";ChEMBL
MM474114;MM474114;O=S(C=Cc1ccc(O)c(O)c1)CCCCc1ccccc1;FLMAEIMNFOVVIL-ACCUITESSA-N;316.42;3.84;90675397;;;CHEMBL3259975;BBB;EPAM;25;+1,-1;"<a href=https://www.ebi.ac.uk/chembl/assay_report_card/CHEMBL3266342/  target=_blank>CHEMBL3266342</a>";;;;;;;;;-5.35;;;;;;;;;;;;"Ning X, Guo Y, Wang X, Ma X, Tian C, Shi X, Zhu R, Cheng C, Du Y, Ma Z, Zhang Z, Liu J.: Design, synthesis, and biological evaluation of (e)-3,4-dihydroxystyryl aralkyl sulfones and sulfoxides as novel multifunctional neuroprotective agents. J Med Chem, Volume 57 (10), 2014";ChEMBL
MM474115;MM474115;O=S(C=Cc1ccc(O)c(O)c1)Cc1ccc(Cl)cc1;MCURAGAWMOVGIJ-BQYQJAHWSA-N;308.79;3.67;90675398;;;CHEMBL3259976;BBB;EPAM;25;+1,-1;"<a href=https://www.ebi.ac.uk/chembl/assay_report_card/CHEMBL3266342/  target=_blank>CHEMBL3266342</a>";;;;;;;;;-5.39;;;;;;;;;;;;"Ning X, Guo Y, Wang X, Ma X, Tian C, Shi X, Zhu R, Cheng C, Du Y, Ma Z, Zhang Z, Liu J.: Design, synthesis, and biological evaluation of (e)-3,4-dihydroxystyryl aralkyl sulfones and sulfoxides as novel multifunctional neuroprotective agents. J Med Chem, Volume 57 (10), 2014";ChEMBL
MM473696;MM473696;O=C(c1ccccc1)N1CCCC(c2cn3cccnc3n2)C1;FKGXERUHEQMSPS-UHFFFAOYSA-N;306.37;2.75;155552164;;;CHEMBL4546859;GENER;EPAM;25;0;"<a href=https://www.ebi.ac.uk/chembl/assay_report_card/CHEMBL4343676/  target=_blank>CHEMBL4343676</a>";;;;;;;;;-5.56;;;;;;;;;;;;"Koovits PJ, Dessoy MA, Matheeussen A, Maes L, Caljon G, Mowbray CE, Kratz JM, Dias LC.: Structure-activity relationship of 4-azaindole-2-piperidine derivatives as agents against Trypanosoma cruzi. Bioorg Med Chem Lett, Volume 30 (1), 2020";ChEMBL
MM474116;MM474116;CC(C)(C)c1ccc(CS(=O)C=Cc2ccc(O)c(O)c2)cc1;TXRTVIJENMZEJY-ZHACJKMWSA-N;330.45;4.31;90675399;;;CHEMBL3259977;BBB;EPAM;25;+1,-1;"<a href=https://www.ebi.ac.uk/chembl/assay_report_card/CHEMBL3266342/  target=_blank>CHEMBL3266342</a>";;;;;;;;;-5.24;;;;;;;;;;;;"Ning X, Guo Y, Wang X, Ma X, Tian C, Shi X, Zhu R, Cheng C, Du Y, Ma Z, Zhang Z, Liu J.: Design, synthesis, and biological evaluation of (e)-3,4-dihydroxystyryl aralkyl sulfones and sulfoxides as novel multifunctional neuroprotective agents. J Med Chem, Volume 57 (10), 2014";ChEMBL
MM472254;MM472254;CCN(C(C)=O)c1cc2oc(-c3ccc(F)cc3)c(C(=O)NC)c2cc1-c1ccc(OC)c(C(=O)NC2(c3ncccn3)CC2)c1;JLTMTIKOPCSSMO-UHFFFAOYSA-N;621.67;5.86;155552218;;;CHEMBL4546966;GENER;EPAM;25;0;"ph = 7.4, <a href=https://www.ebi.ac.uk/chembl/assay_report_card/CHEMBL4329907/  target=_blank>CHEMBL4329907</a>";;;;;;;;;-4.33;;;;;;;;;;;;"Yeung KS, Beno BR, Mosure K, Zhu J, Grant-Young KA, Parcella K, Anjanappa P, Bora RO, Selvakumar K, Wang YK, Fang H, Krause R, Rigat K, Liu M, Lemm J, Sheriff S, Witmer M, Tredup J, Jardel A, Kish K, Parker D, Haskell R, Santone K, Meanwell NA, Soars MG, Roberts SB, Kadow JF.: Structure-Property Basis for Solving Transporter-Mediated Efflux and Pan-Genotypic Inhibition in HCV NS5B Inhibitors. ACS Med Chem Lett, Volume 9 (12), 2018";ChEMBL
MM473684;MM473684;O=C(c1ccc(C(F)(F)F)nc1)N1CCCC(c2cc3ncccc3[nH]2)C1;OUPIDEAYKWCYML-UHFFFAOYSA-N;374.37;4;155552690;;;CHEMBL4547057;GENER;EPAM;25;0;"<a href=https://www.ebi.ac.uk/chembl/assay_report_card/CHEMBL4343676/  target=_blank>CHEMBL4343676</a>";;;;;;;;;-6.05;;;;;;;;;;;;"Koovits PJ, Dessoy MA, Matheeussen A, Maes L, Caljon G, Mowbray CE, Kratz JM, Dias LC.: Structure-activity relationship of 4-azaindole-2-piperidine derivatives as agents against Trypanosoma cruzi. Bioorg Med Chem Lett, Volume 30 (1), 2020";ChEMBL
MM474117;MM474117;O=S(C=Cc1ccc(O)c(O)c1)Cc1ccc(C(F)(F)F)cc1;DBUVUORMXHCMTJ-BQYQJAHWSA-N;342.34;4.04;90675400;;;CHEMBL3259978;BBB;EPAM;25;+1,-1;"<a href=https://www.ebi.ac.uk/chembl/assay_report_card/CHEMBL3266342/  target=_blank>CHEMBL3266342</a>";;;;;;;;;-5.38;;;;;;;;;;;;"Ning X, Guo Y, Wang X, Ma X, Tian C, Shi X, Zhu R, Cheng C, Du Y, Ma Z, Zhang Z, Liu J.: Design, synthesis, and biological evaluation of (e)-3,4-dihydroxystyryl aralkyl sulfones and sulfoxides as novel multifunctional neuroprotective agents. J Med Chem, Volume 57 (10), 2014";ChEMBL
MM474118;MM474118;COc1ccc(CS(=O)C=Cc2ccc(O)c(O)c2)cc1;UGCGKVSOQWVLEM-CMDGGOBGSA-N;304.37;3.03;90675401;;;CHEMBL3259979;BBB;EPAM;25;+1,-1;"<a href=https://www.ebi.ac.uk/chembl/assay_report_card/CHEMBL3266342/  target=_blank>CHEMBL3266342</a>";;;;;;;;;-5.37;;;;;;;;;;;;"Ning X, Guo Y, Wang X, Ma X, Tian C, Shi X, Zhu R, Cheng C, Du Y, Ma Z, Zhang Z, Liu J.: Design, synthesis, and biological evaluation of (e)-3,4-dihydroxystyryl aralkyl sulfones and sulfoxides as novel multifunctional neuroprotective agents. J Med Chem, Volume 57 (10), 2014";ChEMBL
MM472269;MM472269;Cn1c(C(=O)NC2(c3ccc(C(=O)O)nc3)COC2)cc2c(Cl)c(Cl)ccc21;FISMMKWCBDFTBO-UHFFFAOYSA-N;420.25;3.23;155552547;;;CHEMBL4547127;GENER;EPAM;25;0;"ph = 7.4, <a href=https://www.ebi.ac.uk/chembl/assay_report_card/CHEMBL4350236/  target=_blank>CHEMBL4350236</a>";;;;;;;;;-5.89;;;;;;;;;;;;"Mullarky E, Xu J, Robin AD, Huggins DJ, Jennings A, Noguchi N, Olland A, Lakshminarasimhan D, Miller M, Tomita D, Michino M, Su T, Zhang G, Stamford AW, Meinke PT, Kargman S, Cantley LC.: Inhibition of 3-phosphoglycerate dehydrogenase (PHGDH) by indole amides abrogates de novo serine synthesis in cancer cells. Bioorg Med Chem Lett, Volume 29 (17), 2019";ChEMBL
MM473706;MM473706;CC1CC(C)CN(c2ncc(Cl)c(Nc3ccc4c(c3)n(CCC(C)(C)O)c(=O)n4C)n2)C1;SZOQWJDRAIBTQM-IYBDPMFKSA-N;473.02;4.17;151934891;;;CHEMBL4547183;GENER;EPAM;25;0;"<a href=https://www.ebi.ac.uk/chembl/assay_report_card/CHEMBL4345702/  target=_blank>CHEMBL4345702</a>";;;;;;;;;-4.44;;;;;;;;;;;;"Bellenie BR, Cheung KJ, Varela A, Pierrat OA, Collie GW, Box GM, Bright MD, Gowan S, Hayes A, Rodrigues MJ, Shetty KN, Carter M, Davis OA, Henley AT, Innocenti P, Johnson LD, Liu M, de Klerk S, Le Bihan YV, Lloyd MG, McAndrew PC, Shehu E, Talbot R, Woodward HL, Burke R, Kirkin V, van Montfort RLM, Raynaud FI, Rossanese OW, Hoelder S.: Achieving In Vivo Target Depletion through the Discovery and Optimization of Benzimidazolone BCL6 Degraders. J Med Chem, Volume 63 (8), 2020";ChEMBL
MM474088;MM474088;CN(Cc1ccccc1)Cc1ccc(C(=O)NCCc2c[nH]c3ccccc23)cc1;CQIUTYRNRVTWNA-UHFFFAOYSA-N;397.52;4.77;57405784;;;CHEMBL3263724;BBB;EPAM;25;0;"<a href=https://www.ebi.ac.uk/chembl/assay_report_card/CHEMBL3265627/  target=_blank>CHEMBL3265627</a>";;;;;;;;;-5.13;;;;;;;;;;;;"López-Iglesias B, Pérez C, Morales-García JA, Alonso-Gil S, Pérez-Castillo A, Romero A, López MG, Villarroya M, Conde S, Rodríguez-Franco MI.: New melatonin-N,N-dibenzyl(N-methyl)amine hybrids: potent neurogenic agents with antioxidant, cholinergic, and neuroprotective properties as innovative drugs for Alzheimer's disease. J Med Chem, Volume 57 (9), 2014";ChEMBL
MM473694;MM473694;O=C(c1ccccc1)N1CCCC(c2cn3ncccc3n2)C1;MCFCCBZLJGOXFC-UHFFFAOYSA-N;306.37;2.75;155553281;;;CHEMBL4547396;GENER;EPAM;25;0;"<a href=https://www.ebi.ac.uk/chembl/assay_report_card/CHEMBL4343676/  target=_blank>CHEMBL4343676</a>";;;;;;;;;-4.86;;;;;;;;;;;;"Koovits PJ, Dessoy MA, Matheeussen A, Maes L, Caljon G, Mowbray CE, Kratz JM, Dias LC.: Structure-activity relationship of 4-azaindole-2-piperidine derivatives as agents against Trypanosoma cruzi. Bioorg Med Chem Lett, Volume 30 (1), 2020";ChEMBL
MM473719;MM473719;CCNC(=O)c1cc2c(-c3cc(S(=O)(=O)CC)ccc3Oc3c(C)cccc3C(F)(F)F)cn(C)c(=O)c2[nH]1;RNNIEDANKZEVPX-UHFFFAOYSA-N;561.58;5.2;;;;;GENER;EPAM;25;0;"<a href=https://www.ebi.ac.uk/chembl/assay_report_card/CHEMBL4346341/  target=_blank>CHEMBL4346341</a>";;;;;;;;;-4.82;;;;;;;;;;;;"Sheppard GS, Wang L, Fidanze SD, Hasvold LA, Liu D, Pratt JK, Park CH, Longenecker K, Qiu W, Torrent M, Kovar PJ, Bui M, Faivre E, Huang X, Lin X, Wilcox D, Zhang L, Shen Y, Albert DH, Magoc TJ, Rajaraman G, Kati WM, McDaniel KF.: Discovery of <i>N</i>-Ethyl-4-[2-(4-fluoro-2,6-dimethyl-phenoxy)-5-(1-hydroxy-1-methyl-ethyl)phenyl]-6-methyl-7-oxo-1<i>H</i>-pyrrolo[2,3-<i>c</i>]pyridine-2-carboxamide (ABBV-744), a BET Bromodomain Inhibitor with Selectivity for the Second Bromodomain. J Med Chem, Volume 63 (10), 2020";ChEMBL
MM474089;MM474089;CN(Cc1ccccc1)Cc1ccc(C(=O)NCCc2c[nH]c3ccc(O)cc23)cc1;OUYDBKLRMLMLMJ-UHFFFAOYSA-N;413.52;4.48;57405785;;;CHEMBL3263725;BBB;EPAM;25;0;"<a href=https://www.ebi.ac.uk/chembl/assay_report_card/CHEMBL3265627/  target=_blank>CHEMBL3265627</a>";;;;;;;;;-5.3;;;;;;;;;;;;"López-Iglesias B, Pérez C, Morales-García JA, Alonso-Gil S, Pérez-Castillo A, Romero A, López MG, Villarroya M, Conde S, Rodríguez-Franco MI.: New melatonin-N,N-dibenzyl(N-methyl)amine hybrids: potent neurogenic agents with antioxidant, cholinergic, and neuroprotective properties as innovative drugs for Alzheimer's disease. J Med Chem, Volume 57 (9), 2014";ChEMBL
MM472258;MM472258;CCN(c1cc2oc(-c3ccc(F)cc3)c(C(=O)NC)c2cc1-c1cc(Cl)c(OC)c(C(=O)NC2(c3ncccn3)CC2)c1)S(C)(=O)=O;KATMITIMPSRCKL-UHFFFAOYSA-N;692.17;5.92;155553685;;;CHEMBL4547789;GENER;EPAM;25;0;"ph = 7.4, <a href=https://www.ebi.ac.uk/chembl/assay_report_card/CHEMBL4329907/  target=_blank>CHEMBL4329907</a>";;;;;;;;;-4.09;;;;;;;;;;;;"Yeung KS, Beno BR, Mosure K, Zhu J, Grant-Young KA, Parcella K, Anjanappa P, Bora RO, Selvakumar K, Wang YK, Fang H, Krause R, Rigat K, Liu M, Lemm J, Sheriff S, Witmer M, Tredup J, Jardel A, Kish K, Parker D, Haskell R, Santone K, Meanwell NA, Soars MG, Roberts SB, Kadow JF.: Structure-Property Basis for Solving Transporter-Mediated Efflux and Pan-Genotypic Inhibition in HCV NS5B Inhibitors. ACS Med Chem Lett, Volume 9 (12), 2018";ChEMBL
MM474090;MM474090;COc1ccc2[nH]cc(CCNC(=O)c3ccc(CN(C)Cc4ccccc4)cc3)c2c1;QBQISILWXDSYAB-UHFFFAOYSA-N;427.55;4.78;57405786;;;CHEMBL3263726;BBB;EPAM;25;0;"<a href=https://www.ebi.ac.uk/chembl/assay_report_card/CHEMBL3265627/  target=_blank>CHEMBL3265627</a>";;;;;;;;;-5.15;;;;;;;;;;;;"López-Iglesias B, Pérez C, Morales-García JA, Alonso-Gil S, Pérez-Castillo A, Romero A, López MG, Villarroya M, Conde S, Rodríguez-Franco MI.: New melatonin-N,N-dibenzyl(N-methyl)amine hybrids: potent neurogenic agents with antioxidant, cholinergic, and neuroprotective properties as innovative drugs for Alzheimer's disease. J Med Chem, Volume 57 (9), 2014";ChEMBL
MM474091;MM474091;COc1ccc2c(CCNC(=O)c3ccc(CN(C)Cc4ccccc4)cc3)c[nH]c2c1;SZYWAKLFZGGZFL-UHFFFAOYSA-N;427.55;4.78;57405787;;;CHEMBL3263727;BBB;EPAM;25;0;"<a href=https://www.ebi.ac.uk/chembl/assay_report_card/CHEMBL3265627/  target=_blank>CHEMBL3265627</a>";;;;;;;;;-5.14;;;;;;;;;;;;"López-Iglesias B, Pérez C, Morales-García JA, Alonso-Gil S, Pérez-Castillo A, Romero A, López MG, Villarroya M, Conde S, Rodríguez-Franco MI.: New melatonin-N,N-dibenzyl(N-methyl)amine hybrids: potent neurogenic agents with antioxidant, cholinergic, and neuroprotective properties as innovative drugs for Alzheimer's disease. J Med Chem, Volume 57 (9), 2014";ChEMBL
MM473712;MM473712;CCNC(=O)c1cc2c(-c3cc(S(=O)(=O)CC)ccc3Oc3ccccc3Cl)cn(C)c(=O)c2[nH]1;CVLVVVZJWFPMCQ-UHFFFAOYSA-N;514;4.52;;;;;GENER;EPAM;25;0;"<a href=https://www.ebi.ac.uk/chembl/assay_report_card/CHEMBL4346341/  target=_blank>CHEMBL4346341</a>";;;;;;;;;-4.86;;;;;;;;;;;;"Sheppard GS, Wang L, Fidanze SD, Hasvold LA, Liu D, Pratt JK, Park CH, Longenecker K, Qiu W, Torrent M, Kovar PJ, Bui M, Faivre E, Huang X, Lin X, Wilcox D, Zhang L, Shen Y, Albert DH, Magoc TJ, Rajaraman G, Kati WM, McDaniel KF.: Discovery of <i>N</i>-Ethyl-4-[2-(4-fluoro-2,6-dimethyl-phenoxy)-5-(1-hydroxy-1-methyl-ethyl)phenyl]-6-methyl-7-oxo-1<i>H</i>-pyrrolo[2,3-<i>c</i>]pyridine-2-carboxamide (ABBV-744), a BET Bromodomain Inhibitor with Selectivity for the Second Bromodomain. J Med Chem, Volume 63 (10), 2020";ChEMBL
MM474092;MM474092;CN(Cc1ccccc1)Cc1ccc(C(=O)NCCc2c[nH]c3cc(F)ccc23)cc1;GVTZWCGCQTUNKK-UHFFFAOYSA-N;415.51;4.91;;;;;BBB;EPAM;25;0;"<a href=https://www.ebi.ac.uk/chembl/assay_report_card/CHEMBL3265627/  target=_blank>CHEMBL3265627</a>";;;;;;;;;-5.18;;;;;;;;;;;;"López-Iglesias B, Pérez C, Morales-García JA, Alonso-Gil S, Pérez-Castillo A, Romero A, López MG, Villarroya M, Conde S, Rodríguez-Franco MI.: New melatonin-N,N-dibenzyl(N-methyl)amine hybrids: potent neurogenic agents with antioxidant, cholinergic, and neuroprotective properties as innovative drugs for Alzheimer's disease. J Med Chem, Volume 57 (9), 2014";ChEMBL
MM473663;MM473663;COc1cccc(C(C)NC(=O)c2ccc(-c3ccncn3)cc2N2CCC(CN)C2)c1;PKLARINHGWEPSR-MSOLQXFVSA-N;431.54;3.43;155550541;;;CHEMBL4550282;GENER;EPAM;25;0;"<a href=https://www.ebi.ac.uk/chembl/assay_report_card/CHEMBL4328672/  target=_blank>CHEMBL4328672</a>";;;;;;;;;-5.85;;;;;;;;;;;;"Hobson AD, Judge RA, Aguirre AL, Brown BS, Cui Y, Ding P, Dominguez E, DiGiammarino E, Egan DA, Freiberg GM, Gopalakrishnan SM, Harris CM, Honore MP, Kage KL, Kapecki NJ, Ling C, Ma J, Mack H, Mamo M, Maurus S, McRae B, Moore NS, Mueller BK, Mueller R, Namovic MT, Patel K, Pratt SD, Putman CB, Queeney KL, Sarris KK, Schaffter LM, Stoll V, Vasudevan A, Wang L, Wang L, Wirthl W, Yach K.: Identification of Selective Dual ROCK1 and ROCK2 Inhibitors Using Structure-Based Drug Design. J Med Chem, Volume 61 (24), 2018";ChEMBL
MM474093;MM474093;CN(Cc1ccc(C(=O)NCCc2c[nH]c3ccccc23)cc1)Cc1ccccc1Cl;XFZNYYDTDGEXBS-UHFFFAOYSA-N;431.97;5.43;57405951;;;CHEMBL3263729;BBB;EPAM;25;0;"<a href=https://www.ebi.ac.uk/chembl/assay_report_card/CHEMBL3265627/  target=_blank>CHEMBL3265627</a>";;;;;;;;;-5.24;;;;;;;;;;;;"López-Iglesias B, Pérez C, Morales-García JA, Alonso-Gil S, Pérez-Castillo A, Romero A, López MG, Villarroya M, Conde S, Rodríguez-Franco MI.: New melatonin-N,N-dibenzyl(N-methyl)amine hybrids: potent neurogenic agents with antioxidant, cholinergic, and neuroprotective properties as innovative drugs for Alzheimer's disease. J Med Chem, Volume 57 (9), 2014";ChEMBL
MM472335;MM472335;C=CC(=O)N(C)CCCOc1c(N)ncnc1-c1cc(F)cc(NC(=O)c2ccc(C3CC3)cc2F)c1C;CASKTHAUDPFPEI-UHFFFAOYSA-N;521.57;4.86;118107490;;;CHEMBL4550284;GENER;EPAM;25;0;"ph = 6.8, <a href=https://www.ebi.ac.uk/chembl/assay_report_card/CHEMBL4358497/  target=_blank>CHEMBL4358497</a>";;;;;;;;;-4;;;;;;;;;;;;"Angst D, Gessier F, Janser P, Vulpetti A, Wälchli R, Beerli C, Littlewood-Evans A, Dawson J, Nuesslein-Hildesheim B, Wieczorek G, Gutmann S, Scheufler C, Hinniger A, Zimmerlin A, Funhoff EG, Pulz R, Cenni B.: Discovery of LOU064 (Remibrutinib), a Potent and Highly Selective Covalent Inhibitor of Bruton's Tyrosine Kinase. J Med Chem, Volume 63 (10), 2020";ChEMBL
MM474094;MM474094;COc1ccc2[nH]cc(CCNC(=O)c3ccc(CN(C)Cc4ccccc4Cl)cc3)c2c1;MXVVFXUVCSFCCH-UHFFFAOYSA-N;461.99;5.43;57405952;;;CHEMBL3263730;BBB;EPAM;25;0;"<a href=https://www.ebi.ac.uk/chembl/assay_report_card/CHEMBL3265627/  target=_blank>CHEMBL3265627</a>";;;;;;;;;-5.23;;;;;;;;;;;;"López-Iglesias B, Pérez C, Morales-García JA, Alonso-Gil S, Pérez-Castillo A, Romero A, López MG, Villarroya M, Conde S, Rodríguez-Franco MI.: New melatonin-N,N-dibenzyl(N-methyl)amine hybrids: potent neurogenic agents with antioxidant, cholinergic, and neuroprotective properties as innovative drugs for Alzheimer's disease. J Med Chem, Volume 57 (9), 2014";ChEMBL
MM474391;MM474391;CCOC(=O)C1(c2ccccc2)CCC=CC1N(C)C;WDEFBBTXULIOBB-DOTOQJQBSA-N;273.38;2.77;12546498;;;CHEMBL4550731;GENER;EPAM;25;0;"<a href=https://www.ebi.ac.uk/chembl/assay_report_card/CHEMBL4323355/  target=_blank>CHEMBL4323355</a>";;;;;;;;;-4.5;;;;;;;;;;;;"Meyer MJ, Neumann VE, Friesacher HR, Zdrazil B, Brockmöller J, Tzvetkov MV.: Opioids as Substrates and Inhibitors of the Genetically Highly Variable Organic Cation Transporter OCT1. J Med Chem, Volume 62 (21), 2019";ChEMBL
MM474095;MM474095;CN(Cc1ccc(C(=O)NCCc2c[nH]c3ccccc23)cc1)Cc1cccc(Cl)c1;HIOSHKZZXRGRSS-UHFFFAOYSA-N;431.97;5.43;57405953;;;CHEMBL3263731;BBB;EPAM;25;0;"<a href=https://www.ebi.ac.uk/chembl/assay_report_card/CHEMBL3265627/  target=_blank>CHEMBL3265627</a>";;;;;;;;;-5.15;;;;;;;;;;;;"López-Iglesias B, Pérez C, Morales-García JA, Alonso-Gil S, Pérez-Castillo A, Romero A, López MG, Villarroya M, Conde S, Rodríguez-Franco MI.: New melatonin-N,N-dibenzyl(N-methyl)amine hybrids: potent neurogenic agents with antioxidant, cholinergic, and neuroprotective properties as innovative drugs for Alzheimer's disease. J Med Chem, Volume 57 (9), 2014";ChEMBL
MM473709;MM473709;CCN(C)C(=O)c1cc2c(-c3cc(S(C)(=O)=O)ccc3Oc3ccc(F)cc3F)cn(C)c(=O)c2[nH]1;NVEKHYPVMGLKLG-UHFFFAOYSA-N;515.54;4.1;;;;;GENER;EPAM;25;0;"<a href=https://www.ebi.ac.uk/chembl/assay_report_card/CHEMBL4346341/  target=_blank>CHEMBL4346341</a>";;;;;;;;;-4.8;;;;;;;;;;;;"Sheppard GS, Wang L, Fidanze SD, Hasvold LA, Liu D, Pratt JK, Park CH, Longenecker K, Qiu W, Torrent M, Kovar PJ, Bui M, Faivre E, Huang X, Lin X, Wilcox D, Zhang L, Shen Y, Albert DH, Magoc TJ, Rajaraman G, Kati WM, McDaniel KF.: Discovery of <i>N</i>-Ethyl-4-[2-(4-fluoro-2,6-dimethyl-phenoxy)-5-(1-hydroxy-1-methyl-ethyl)phenyl]-6-methyl-7-oxo-1<i>H</i>-pyrrolo[2,3-<i>c</i>]pyridine-2-carboxamide (ABBV-744), a BET Bromodomain Inhibitor with Selectivity for the Second Bromodomain. J Med Chem, Volume 63 (10), 2020";ChEMBL
MM473680;MM473680;COc1ccc(C(=O)N2CCCC(c3cc4ncccc4[nH]3)C2)cc1OC;XDKXEEXTLWFEGQ-UHFFFAOYSA-N;365.43;3.6;155555590;;;CHEMBL4551602;GENER;EPAM;25;0;"<a href=https://www.ebi.ac.uk/chembl/assay_report_card/CHEMBL4343676/  target=_blank>CHEMBL4343676</a>";;;;;;;;;-5.8;;;;;;;;;;;;"Koovits PJ, Dessoy MA, Matheeussen A, Maes L, Caljon G, Mowbray CE, Kratz JM, Dias LC.: Structure-activity relationship of 4-azaindole-2-piperidine derivatives as agents against Trypanosoma cruzi. Bioorg Med Chem Lett, Volume 30 (1), 2020";ChEMBL
MM474096;MM474096;COc1ccc2[nH]cc(CCNC(=O)c3ccc(CN(C)Cc4cccc(Cl)c4)cc3)c2c1;VKUFSDYOVDNWPJ-UHFFFAOYSA-N;461.99;5.43;57405954;;;CHEMBL3263732;BBB;EPAM;25;0;"<a href=https://www.ebi.ac.uk/chembl/assay_report_card/CHEMBL3265627/  target=_blank>CHEMBL3265627</a>";;;;;;;;;-5.1;;;;;;;;;;;;"López-Iglesias B, Pérez C, Morales-García JA, Alonso-Gil S, Pérez-Castillo A, Romero A, López MG, Villarroya M, Conde S, Rodríguez-Franco MI.: New melatonin-N,N-dibenzyl(N-methyl)amine hybrids: potent neurogenic agents with antioxidant, cholinergic, and neuroprotective properties as innovative drugs for Alzheimer's disease. J Med Chem, Volume 57 (9), 2014";ChEMBL
MM471789;MM471789;Cc1c(N2CCN(C)CC2)ccc2c3c(c(=O)oc12)CN(C(=O)c1cc(Cl)cc(NS(C)(=O)=O)c1)CC3;GGHDEWXYOLNPNC-UHFFFAOYSA-N;545.06;3.08;155555841;;;CHEMBL4551634;GENER;EPAM;25;0;"ph = 7.4, <a href=https://www.ebi.ac.uk/chembl/assay_report_card/CHEMBL4338138/  target=_blank>CHEMBL4338138</a>";;;;;;;;;-5.18;;;;;;;;;;;;"Kawai J, Toki T, Ota M, Inoue H, Takata Y, Asahi T, Suzuki M, Shimada T, Ono K, Suzuki K, Takaishi S, Ohki H, Matsui S, Tsutsumi S, Hirota Y, Nakayama K.: Discovery of a Potent, Selective, and Orally Available MTHFD2 Inhibitor (DS18561882) with in Vivo Antitumor Activity. J Med Chem, Volume 62 (22), 2019";ChEMBL
MM474097;MM474097;COc1ccc2c(CCNC(=O)c3ccc(CN(C)Cc4cccc(Cl)c4)cc3)c[nH]c2c1;QUNVPYVAGHACJZ-UHFFFAOYSA-N;461.99;5.43;57405955;;;CHEMBL3263733;BBB;EPAM;25;0;"<a href=https://www.ebi.ac.uk/chembl/assay_report_card/CHEMBL3265627/  target=_blank>CHEMBL3265627</a>";;;;;;;;;-5.1;;;;;;;;;;;;"López-Iglesias B, Pérez C, Morales-García JA, Alonso-Gil S, Pérez-Castillo A, Romero A, López MG, Villarroya M, Conde S, Rodríguez-Franco MI.: New melatonin-N,N-dibenzyl(N-methyl)amine hybrids: potent neurogenic agents with antioxidant, cholinergic, and neuroprotective properties as innovative drugs for Alzheimer's disease. J Med Chem, Volume 57 (9), 2014";ChEMBL
MM471764;MM471764;COc1cc(C(C)C)c(Cc2ccc(C=CC(C)(C)C(=O)NC(C)(C)CO)cc2)cc1C1OC(CO)C(O)C(O)C1O;AJBAXXZLRODFMW-YIIQLIBHSA-N;585.74;2.85;155555849;;;CHEMBL4551742;GENER;EPAM;25;0;"ph = 7.4, <a href=https://www.ebi.ac.uk/chembl/assay_report_card/CHEMBL4311711/  target=_blank>CHEMBL4311711</a>";;;;;;;;;-5.74;;;;;;;;;;;;"Kuroda S, Kobashi Y, Oi T, Kawabe K, Shiozawa F, Okumura-Kitajima L, Sugisaki-Kitano M, Io F, Yamamoto K, Kakinuma H.: Discovery of potent, low-absorbable sodium-dependent glucose cotransporter 1 (SGLT1) inhibitor SGL5213 for type 2 diabetes treatment. Bioorg Med Chem, Volume 27 (2), 2019";ChEMBL
MM474098;MM474098;COc1ccccc1CN(C)Cc1ccc(C(=O)NCCc2c[nH]c3ccccc23)cc1;UPXTYLFOWZJASC-UHFFFAOYSA-N;427.55;4.78;57405956;;;CHEMBL3263734;BBB;EPAM;25;0;"<a href=https://www.ebi.ac.uk/chembl/assay_report_card/CHEMBL3265627/  target=_blank>CHEMBL3265627</a>";;;;;;;;;-5.06;;;;;;;;;;;;"López-Iglesias B, Pérez C, Morales-García JA, Alonso-Gil S, Pérez-Castillo A, Romero A, López MG, Villarroya M, Conde S, Rodríguez-Franco MI.: New melatonin-N,N-dibenzyl(N-methyl)amine hybrids: potent neurogenic agents with antioxidant, cholinergic, and neuroprotective properties as innovative drugs for Alzheimer's disease. J Med Chem, Volume 57 (9), 2014";ChEMBL
MM471779;MM471779;COc1ccc(CN2CCC(Nc3nc(Nc4ccc(NC(=O)CCCCCCC(=O)NO)cc4)nc4cc(OC)c(OC)cc34)CC2)cc1;;685.83;6.26;;;;CHEMBL4554522;GENER;EPAM;25;0;"ph = 7.4, <a href=https://www.ebi.ac.uk/chembl/assay_report_card/CHEMBL4315219/  target=_blank>CHEMBL4315219</a>";;;;;;;;;-4.66;;;;;;;;;;;;"Soumyanarayanan U, Ramanujulu PM, Mustafa N, Haider S, Fang Nee AH, Tong JX, Tan KSW, Chng WJ, Dymock BW.: Discovery of a potent histone deacetylase (HDAC) 3/6 selective dual inhibitor. Eur J Med Chem, Volume 184, 2019";ChEMBL
MM474099;MM474099;COc1ccc2[nH]cc(CCNC(=O)c3ccc(CN(C)Cc4ccccc4OC)cc3)c2c1;HWOGJSPZNZIPLI-UHFFFAOYSA-N;457.57;4.79;57406127;;;CHEMBL3263735;BBB;EPAM;25;0;"<a href=https://www.ebi.ac.uk/chembl/assay_report_card/CHEMBL3265627/  target=_blank>CHEMBL3265627</a>";;;;;;;;;-5;;;;;;;;;;;;"López-Iglesias B, Pérez C, Morales-García JA, Alonso-Gil S, Pérez-Castillo A, Romero A, López MG, Villarroya M, Conde S, Rodríguez-Franco MI.: New melatonin-N,N-dibenzyl(N-methyl)amine hybrids: potent neurogenic agents with antioxidant, cholinergic, and neuroprotective properties as innovative drugs for Alzheimer's disease. J Med Chem, Volume 57 (9), 2014";ChEMBL
MM471779;MM471779;COc1ccc(CN2CCC(Nc3nc(Nc4ccc(NC(=O)CCCCCCC(=O)NO)cc4)nc4cc(OC)c(OC)cc34)CC2)cc1;;685.83;6.26;;;;CHEMBL4554522;GENER;EPAM;25;0;"ph = 7.4, <a href=https://www.ebi.ac.uk/chembl/assay_report_card/CHEMBL4315220/  target=_blank>CHEMBL4315220</a>";;;;;;;;;-5.1;;;;;;;;;;;;"Soumyanarayanan U, Ramanujulu PM, Mustafa N, Haider S, Fang Nee AH, Tong JX, Tan KSW, Chng WJ, Dymock BW.: Discovery of a potent histone deacetylase (HDAC) 3/6 selective dual inhibitor. Eur J Med Chem, Volume 184, 2019";ChEMBL
MM474100;MM474100;COc1cccc(CN(C)Cc2ccc(C(=O)NCCc3c[nH]c4ccccc34)cc2)c1;INDXJGDAAIPEQX-UHFFFAOYSA-N;427.55;4.78;57406128;;;CHEMBL3263736;BBB;EPAM;25;0;"<a href=https://www.ebi.ac.uk/chembl/assay_report_card/CHEMBL3265627/  target=_blank>CHEMBL3265627</a>";;;;;;;;;-5.06;;;;;;;;;;;;"López-Iglesias B, Pérez C, Morales-García JA, Alonso-Gil S, Pérez-Castillo A, Romero A, López MG, Villarroya M, Conde S, Rodríguez-Franco MI.: New melatonin-N,N-dibenzyl(N-methyl)amine hybrids: potent neurogenic agents with antioxidant, cholinergic, and neuroprotective properties as innovative drugs for Alzheimer's disease. J Med Chem, Volume 57 (9), 2014";ChEMBL
MM474101;MM474101;COc1cccc(CN(C)Cc2ccc(C(=O)NCCc3c[nH]c4ccc(OC)cc34)cc2)c1;DKPILSQFGUMQIS-UHFFFAOYSA-N;457.57;4.79;57406129;;;CHEMBL3263737;BBB;EPAM;25;0;"<a href=https://www.ebi.ac.uk/chembl/assay_report_card/CHEMBL3265627/  target=_blank>CHEMBL3265627</a>";;;;;;;;;-5.06;;;;;;;;;;;;"López-Iglesias B, Pérez C, Morales-García JA, Alonso-Gil S, Pérez-Castillo A, Romero A, López MG, Villarroya M, Conde S, Rodríguez-Franco MI.: New melatonin-N,N-dibenzyl(N-methyl)amine hybrids: potent neurogenic agents with antioxidant, cholinergic, and neuroprotective properties as innovative drugs for Alzheimer's disease. J Med Chem, Volume 57 (9), 2014";ChEMBL
MM473713;MM473713;CCNC(=O)c1cc2c(-c3cc(S(=O)(=O)CC)ccc3Oc3ccccc3C(C)(C)C)cn(C)c(=O)c2[nH]1;JXZVUCMTCJJHJS-UHFFFAOYSA-N;535.67;5.17;;;;;GENER;EPAM;25;0;"<a href=https://www.ebi.ac.uk/chembl/assay_report_card/CHEMBL4346341/  target=_blank>CHEMBL4346341</a>";;;;;;;;;-5.25;;;;;;;;;;;;"Sheppard GS, Wang L, Fidanze SD, Hasvold LA, Liu D, Pratt JK, Park CH, Longenecker K, Qiu W, Torrent M, Kovar PJ, Bui M, Faivre E, Huang X, Lin X, Wilcox D, Zhang L, Shen Y, Albert DH, Magoc TJ, Rajaraman G, Kati WM, McDaniel KF.: Discovery of <i>N</i>-Ethyl-4-[2-(4-fluoro-2,6-dimethyl-phenoxy)-5-(1-hydroxy-1-methyl-ethyl)phenyl]-6-methyl-7-oxo-1<i>H</i>-pyrrolo[2,3-<i>c</i>]pyridine-2-carboxamide (ABBV-744), a BET Bromodomain Inhibitor with Selectivity for the Second Bromodomain. J Med Chem, Volume 63 (10), 2020";ChEMBL
MM473666;MM473666;COc1cccc(C(C)NC(=O)c2ccc(-c3ccnc(NCC4CC4)c3)cc2)c1;SCOXTVBTPMVBKV-QGZVFWFLSA-N;401.51;5.07;155556732;;;CHEMBL4556370;GENER;EPAM;25;0;"<a href=https://www.ebi.ac.uk/chembl/assay_report_card/CHEMBL4328672/  target=_blank>CHEMBL4328672</a>";;;;;;;;;-5.29;;;;;;;;;;;;"Hobson AD, Judge RA, Aguirre AL, Brown BS, Cui Y, Ding P, Dominguez E, DiGiammarino E, Egan DA, Freiberg GM, Gopalakrishnan SM, Harris CM, Honore MP, Kage KL, Kapecki NJ, Ling C, Ma J, Mack H, Mamo M, Maurus S, McRae B, Moore NS, Mueller BK, Mueller R, Namovic MT, Patel K, Pratt SD, Putman CB, Queeney KL, Sarris KK, Schaffter LM, Stoll V, Vasudevan A, Wang L, Wang L, Wirthl W, Yach K.: Identification of Selective Dual ROCK1 and ROCK2 Inhibitors Using Structure-Based Drug Design. J Med Chem, Volume 61 (24), 2018";ChEMBL
MM474077;MM474077;CC(=O)n1c2ccccc2sc2cc(Cl)ccc2n1C(C)=O;BQCYNBXNJHMKMI-UHFFFAOYSA-N;332.81;4.76;;;;;BBB;EPAM;25;0;"<a href=https://www.ebi.ac.uk/chembl/assay_report_card/CHEMBL3265475/  target=_blank>CHEMBL3265475</a>";;;;;;;;;-5;;;;;;;;;;;;"González-Muñoz GC, Arce MP, Pérez C, Romero A, Villarroya M, López MG, Conde S, Rodríguez-Franco MI.: Dibenzo[1,4,5]thiadiazepine: a hardly-known heterocyclic system with neuroprotective properties of potential usefulness in the treatment of neurodegenerative diseases. Eur J Med Chem, Volume 81, 2014";ChEMBL
MM472274;MM472274;Cn1c(C(=O)NC2(c3ccc(C(O)c4cccnc4)cc3)COC2)cc2c(Cl)c(Cl)ccc21;YBVGWRRPMBSVHG-QHCPKHFHSA-N;482.37;4.62;155556782;;;CHEMBL4556384;GENER;EPAM;25;0;"ph = 7.4, <a href=https://www.ebi.ac.uk/chembl/assay_report_card/CHEMBL4350236/  target=_blank>CHEMBL4350236</a>";;;;;;;;;-4.6;;;;;;;;;;;;"Mullarky E, Xu J, Robin AD, Huggins DJ, Jennings A, Noguchi N, Olland A, Lakshminarasimhan D, Miller M, Tomita D, Michino M, Su T, Zhang G, Stamford AW, Meinke PT, Kargman S, Cantley LC.: Inhibition of 3-phosphoglycerate dehydrogenase (PHGDH) by indole amides abrogates de novo serine synthesis in cancer cells. Bioorg Med Chem Lett, Volume 29 (17), 2019";ChEMBL
MM474078;MM474078;CC(=O)n1c2ccccc2sc2ccc(Cl)cc2n1C(C)=O;YQVALXQWMBNSMA-UHFFFAOYSA-N;332.81;4.76;;;;;BBB;EPAM;25;0;"<a href=https://www.ebi.ac.uk/chembl/assay_report_card/CHEMBL3265475/  target=_blank>CHEMBL3265475</a>";;;;;;;;;-4.91;;;;;;;;;;;;"González-Muñoz GC, Arce MP, Pérez C, Romero A, Villarroya M, López MG, Conde S, Rodríguez-Franco MI.: Dibenzo[1,4,5]thiadiazepine: a hardly-known heterocyclic system with neuroprotective properties of potential usefulness in the treatment of neurodegenerative diseases. Eur J Med Chem, Volume 81, 2014";ChEMBL
MM473664;MM473664;COc1cccc([C@@H](C)NC(=O)c2ccc(-c3ccncn3)cc2N2CCC[C@H](CN)C2)c1;GVEIJKANJLOMJH-RTBURBONSA-N;445.57;3.82;;;;;GENER;EPAM;25;0;"<a href=https://www.ebi.ac.uk/chembl/assay_report_card/CHEMBL4328672/  target=_blank>CHEMBL4328672</a>";;;;;;;;;-5.59;;;;;;;;;;;;"Hobson AD, Judge RA, Aguirre AL, Brown BS, Cui Y, Ding P, Dominguez E, DiGiammarino E, Egan DA, Freiberg GM, Gopalakrishnan SM, Harris CM, Honore MP, Kage KL, Kapecki NJ, Ling C, Ma J, Mack H, Mamo M, Maurus S, McRae B, Moore NS, Mueller BK, Mueller R, Namovic MT, Patel K, Pratt SD, Putman CB, Queeney KL, Sarris KK, Schaffter LM, Stoll V, Vasudevan A, Wang L, Wang L, Wirthl W, Yach K.: Identification of Selective Dual ROCK1 and ROCK2 Inhibitors Using Structure-Based Drug Design. J Med Chem, Volume 61 (24), 2018";ChEMBL
MM474079;MM474079;Clc1ccc2c(c1)Sc1ccccc1N=N2;CMSKBSYSOYCPBG-UHFFFAOYSA-N;246.72;5.22;;;;;BBB;EPAM;25;0;"<a href=https://www.ebi.ac.uk/chembl/assay_report_card/CHEMBL3265475/  target=_blank>CHEMBL3265475</a>";;;;;;;;;-4.91;;;;;;;;;;;;"González-Muñoz GC, Arce MP, Pérez C, Romero A, Villarroya M, López MG, Conde S, Rodríguez-Franco MI.: Dibenzo[1,4,5]thiadiazepine: a hardly-known heterocyclic system with neuroprotective properties of potential usefulness in the treatment of neurodegenerative diseases. Eur J Med Chem, Volume 81, 2014";ChEMBL
MM472327;MM472327;C=CC(=O)NCCOc1c(N)ncnc1-c1cc(F)cc(NC(=O)c2ccc(C3CC3)cc2F)c1C;QYSHAEHPLLSZKX-UHFFFAOYSA-N;493.51;4.12;118107429;;;CHEMBL4557061;GENER;EPAM;25;0;"ph = 6.8, <a href=https://www.ebi.ac.uk/chembl/assay_report_card/CHEMBL4358497/  target=_blank>CHEMBL4358497</a>";;;;;;;;;-5.4;;;;;;;;;;;;"Angst D, Gessier F, Janser P, Vulpetti A, Wälchli R, Beerli C, Littlewood-Evans A, Dawson J, Nuesslein-Hildesheim B, Wieczorek G, Gutmann S, Scheufler C, Hinniger A, Zimmerlin A, Funhoff EG, Pulz R, Cenni B.: Discovery of LOU064 (Remibrutinib), a Potent and Highly Selective Covalent Inhibitor of Bruton's Tyrosine Kinase. J Med Chem, Volume 63 (10), 2020";ChEMBL
MM474080;MM474080;COc1ccc2c(c1)sc1ccccc1n(C(C)=O)n2C(C)=O;WBEHFGPYRISDGZ-UHFFFAOYSA-N;328.39;4.11;;;;;BBB;EPAM;25;0;"<a href=https://www.ebi.ac.uk/chembl/assay_report_card/CHEMBL3265475/  target=_blank>CHEMBL3265475</a>";;;;;;;;;-4.9;;;;;;;;;;;;"González-Muñoz GC, Arce MP, Pérez C, Romero A, Villarroya M, López MG, Conde S, Rodríguez-Franco MI.: Dibenzo[1,4,5]thiadiazepine: a hardly-known heterocyclic system with neuroprotective properties of potential usefulness in the treatment of neurodegenerative diseases. Eur J Med Chem, Volume 81, 2014";ChEMBL
MM474081;MM474081;CC(=O)n1c2ccccc2sc2cc(C(F)(F)F)ccc2n1C(C)=O;YPRAIJVRPSGJBP-UHFFFAOYSA-N;366.36;5.12;;;;;BBB;EPAM;25;0;"<a href=https://www.ebi.ac.uk/chembl/assay_report_card/CHEMBL3265475/  target=_blank>CHEMBL3265475</a>";;;;;;;;;-5.4;;;;;;;;;;;;"González-Muñoz GC, Arce MP, Pérez C, Romero A, Villarroya M, López MG, Conde S, Rodríguez-Franco MI.: Dibenzo[1,4,5]thiadiazepine: a hardly-known heterocyclic system with neuroprotective properties of potential usefulness in the treatment of neurodegenerative diseases. Eur J Med Chem, Volume 81, 2014";ChEMBL
MM472321;MM472321;C=CC(=O)N(C)CC=Cc1c(N)ncnc1-c1cc(F)cc(NC(=O)c2ccc(C3CC3)cc2)c1C;QGWYFFMAGYSPLU-AATRIKPKSA-N;485.56;4.96;155558056;;;CHEMBL4559123;GENER;EPAM;25;0;"ph = 6.8, <a href=https://www.ebi.ac.uk/chembl/assay_report_card/CHEMBL4358497/  target=_blank>CHEMBL4358497</a>";;;;;;;;;-5;;;;;;;;;;;;"Angst D, Gessier F, Janser P, Vulpetti A, Wälchli R, Beerli C, Littlewood-Evans A, Dawson J, Nuesslein-Hildesheim B, Wieczorek G, Gutmann S, Scheufler C, Hinniger A, Zimmerlin A, Funhoff EG, Pulz R, Cenni B.: Discovery of LOU064 (Remibrutinib), a Potent and Highly Selective Covalent Inhibitor of Bruton's Tyrosine Kinase. J Med Chem, Volume 63 (10), 2020";ChEMBL
MM471782;MM471782;Cc1cc2cc(n1)-c1cnn(C)c1OCCCC(C)Cn1c(nc3ccccc31)NC2=O;KHVDGZRHSTVJLQ-OAHLLOKOSA-N;430.51;4.03;155444797;;;CHEMBL4562138;GENER;EPAM;25;0;"ph = 7.4, <a href=https://www.ebi.ac.uk/chembl/assay_report_card/CHEMBL4324133/  target=_blank>CHEMBL4324133</a>";;;;;;;;;-6.7;;;;;;;;;;;;"Engelhardt H, Böse D, Petronczki M, Scharn D, Bader G, Baum A, Bergner A, Chong E, Döbel S, Egger G, Engelhardt C, Ettmayer P, Fuchs JE, Gerstberger T, Gonnella N, Grimm A, Grondal E, Haddad N, Hopfgartner B, Kousek R, Krawiec M, Kriz M, Lamarre L, Leung J, Mayer M, Patel ND, Simov BP, Reeves JT, Schnitzer R, Schrenk A, Sharps B, Solca F, Stadtmüller H, Tan Z, Wunberg T, Zoephel A, McConnell DB.: Start Selective and Rigidify: The Discovery Path toward a Next Generation of EGFR Tyrosine Kinase Inhibitors. J Med Chem, Volume 62 (22), 2019";ChEMBL
MM474082;MM474082;CC(=O)n1[nH]c2ccc([N+](=O)[O-])cc2sc2ccccc21;VFIREGNJWDIGNT-UHFFFAOYSA-N;301.33;3.88;;;;;BBB;EPAM;25;+1,-1;"<a href=https://www.ebi.ac.uk/chembl/assay_report_card/CHEMBL3265475/  target=_blank>CHEMBL3265475</a>";;;;;;;;;-5.41;;;;;;;;;;;;"González-Muñoz GC, Arce MP, Pérez C, Romero A, Villarroya M, López MG, Conde S, Rodríguez-Franco MI.: Dibenzo[1,4,5]thiadiazepine: a hardly-known heterocyclic system with neuroprotective properties of potential usefulness in the treatment of neurodegenerative diseases. Eur J Med Chem, Volume 81, 2014";ChEMBL
MM473677;MM473677;CC[C@H](C)[C@@H]1NC(=O)[C@H](Cc2ccccc2)N(C)C(=O)[C@H](Cc2ccccc2)NC(=O)CN(C)C(=O)[C@@H]2CCCN2C(=O)[C@@H](Cc2ccccc2)N(C)C(=O)[C@H](CC(C)C)NC1=O;UVPLWQIDJSLMEL-JXSFLUKESA-N;864.1;3.38;;;;;GENER;EPAM;25;0;"<a href=https://www.ebi.ac.uk/chembl/assay_report_card/CHEMBL4328889/  target=_blank>CHEMBL4328889</a>";;;;;;;;;-5.64;;;;;;;;;;;;"Naylor MR, Ly AM, Handford MJ, Ramos DP, Pye CR, Furukawa A, Klein VG, Noland RP, Edmondson Q, Turmon AC, Hewitt WM, Schwochert J, Townsend CE, Kelly CN, Blanco MJ, Lokey RS.: Lipophilic Permeability Efficiency Reconciles the Opposing Roles of Lipophilicity in Membrane Permeability and Aqueous Solubility. J Med Chem, Volume 61 (24), 2018";ChEMBL
MM474083;MM474083;CN1CCN(CC(=O)n2c3ccccc3sc3ccc(Cl)cc3n2C(=O)CN2CCN(C)CC2)CC1;REWZTZJXZHDSQK-UHFFFAOYSA-N;529.11;3.21;;;;;BBB;EPAM;25;0;"<a href=https://www.ebi.ac.uk/chembl/assay_report_card/CHEMBL3265475/  target=_blank>CHEMBL3265475</a>";;;;;;;;;-5.23;;;;;;;;;;;;"González-Muñoz GC, Arce MP, Pérez C, Romero A, Villarroya M, López MG, Conde S, Rodríguez-Franco MI.: Dibenzo[1,4,5]thiadiazepine: a hardly-known heterocyclic system with neuroprotective properties of potential usefulness in the treatment of neurodegenerative diseases. Eur J Med Chem, Volume 81, 2014";ChEMBL
MM474084;MM474084;O=C(CN1CCCCC1)n1c2ccccc2sc2cccc(Cl)c2n1C(=O)CN1CCCCC1;BQXXYMRLOQZJAJ-UHFFFAOYSA-N;499.08;5.69;;;;;BBB;EPAM;25;0;"<a href=https://www.ebi.ac.uk/chembl/assay_report_card/CHEMBL3265475/  target=_blank>CHEMBL3265475</a>";;;;;;;;;-5.14;;;;;;;;;;;;"González-Muñoz GC, Arce MP, Pérez C, Romero A, Villarroya M, López MG, Conde S, Rodríguez-Franco MI.: Dibenzo[1,4,5]thiadiazepine: a hardly-known heterocyclic system with neuroprotective properties of potential usefulness in the treatment of neurodegenerative diseases. Eur J Med Chem, Volume 81, 2014";ChEMBL
MM472880;MM472880;O=C(O)CC12CCC(c3ccc(-c4ccc(Nc5nnc(C6CCC6)o5)cn4)cc3)(CC1)CO2;CQDYBKWJJPPSNB-UHFFFAOYSA-N;460.53;5.2;72188386;;;CHEMBL4563171;GENER;EPAM;25;0;"<a href=https://www.ebi.ac.uk/chembl/assay_report_card/CHEMBL4307359/  target=_blank>CHEMBL4307359</a>";;;;;;;;;-7.1;;;;;;;;;;;;"Harrison TJ, Bauer D, Berdichevsky A, Chen X, Duvadie R, Hoogheem B, Hatsis P, Liu Q, Mao J, Miduturu V, Rocheford E, Zecri F, Zessis R, Zheng R, Zhu Q, Streeper R, Patel SJ.: Successful Strategies for Mitigation of a Preclinical Signal for Phototoxicity in a DGAT1 Inhibitor. ACS Med Chem Lett, Volume 10 (8), 2019";ChEMBL
MM474085;MM474085;CN(C)CCC(=O)n1c2ccccc2sc2ccc(Cl)cc2n1C(=O)CCN(C)C;POZAFCASJJUQGZ-UHFFFAOYSA-N;447;4.62;;;;;BBB;EPAM;25;0;"<a href=https://www.ebi.ac.uk/chembl/assay_report_card/CHEMBL3265475/  target=_blank>CHEMBL3265475</a>";;;;;;;;;-4.85;;;;;;;;;;;;"González-Muñoz GC, Arce MP, Pérez C, Romero A, Villarroya M, López MG, Conde S, Rodríguez-Franco MI.: Dibenzo[1,4,5]thiadiazepine: a hardly-known heterocyclic system with neuroprotective properties of potential usefulness in the treatment of neurodegenerative diseases. Eur J Med Chem, Volume 81, 2014";ChEMBL
MM474735;MM474735;NC(=O)c1cc(-c2ccc(F)cc2)cc2c(C3CCS(=O)(=O)CC3)c[nH]c12;CKNZVFDNPYSVSS-UHFFFAOYSA-N;386.45;3.37;25071914;;;CHEMBL4564744;GENER;EPAM;25;0;"<a href=https://www.ebi.ac.uk/chembl/assay_report_card/CHEMBL4329666/  target=_blank>CHEMBL4329666</a>";;;;;;;;;-4.55;;;;;;;;;;;;"Kerns JK, Busch-Petersen J, Fu W, Boehm JC, Nie H, Muratore M, Bullion A, Lin G, Li H, Davis R, Lin X, Lakdawala AS, Cousins R, Field R, Payne J, Miller DD, Bamborough P, Christopher JA, Baldwin I, Osborn RR, Yonchuk J, Webb E, Rumsey WL.: 3,5-Disubstituted-indole-7-carboxamides as IKKβ Inhibitors: Optimization of Oral Activity via the C3 Substituent. ACS Med Chem Lett, Volume 9 (12), 2018";ChEMBL
MM473722;MM473722;CCNC(=O)c1cc2c(-c3cc(S(=O)(=O)C4CC4)ccc3Oc3c(C)cccc3C)cn(C)c(=O)c2[nH]1;OVBFFNLXWQHEOI-UHFFFAOYSA-N;519.62;4.63;;;;;GENER;EPAM;25;0;"<a href=https://www.ebi.ac.uk/chembl/assay_report_card/CHEMBL4346341/  target=_blank>CHEMBL4346341</a>";;;;;;;;;-5.08;;;;;;;;;;;;"Sheppard GS, Wang L, Fidanze SD, Hasvold LA, Liu D, Pratt JK, Park CH, Longenecker K, Qiu W, Torrent M, Kovar PJ, Bui M, Faivre E, Huang X, Lin X, Wilcox D, Zhang L, Shen Y, Albert DH, Magoc TJ, Rajaraman G, Kati WM, McDaniel KF.: Discovery of <i>N</i>-Ethyl-4-[2-(4-fluoro-2,6-dimethyl-phenoxy)-5-(1-hydroxy-1-methyl-ethyl)phenyl]-6-methyl-7-oxo-1<i>H</i>-pyrrolo[2,3-<i>c</i>]pyridine-2-carboxamide (ABBV-744), a BET Bromodomain Inhibitor with Selectivity for the Second Bromodomain. J Med Chem, Volume 63 (10), 2020";ChEMBL
MM474087;MM474087;O=C(CCN1CCCC1)n1c2ccccc2sc2ccc(Cl)cc2n1C(=O)CCN1CCCC1;DKPFRQLUAHHRGY-UHFFFAOYSA-N;499.08;5.69;;;;;BBB;EPAM;25;0;"<a href=https://www.ebi.ac.uk/chembl/assay_report_card/CHEMBL3265475/  target=_blank>CHEMBL3265475</a>";;;;;;;;;-5.43;;;;;;;;;;;;"González-Muñoz GC, Arce MP, Pérez C, Romero A, Villarroya M, López MG, Conde S, Rodríguez-Franco MI.: Dibenzo[1,4,5]thiadiazepine: a hardly-known heterocyclic system with neuroprotective properties of potential usefulness in the treatment of neurodegenerative diseases. Eur J Med Chem, Volume 81, 2014";ChEMBL
MM473628;MM473628;NCCOCCOCC(=O)N1CCN(C(=O)c2cc(Cc3n[nH]c(=O)c4ccccc34)ccc2F)CC1;BXZXQGJRHFJBKR-UHFFFAOYSA-N;511.55;0.93;155559886;;;CHEMBL4564916;GENER;EPAM;25;0;"<a href=https://www.ebi.ac.uk/chembl/assay_report_card/CHEMBL4312050/  target=_blank>CHEMBL4312050</a>";;;;;;;;;-8.92;;;;;;;;;;;;"Richardson PL, Marin VL, Koeniger SL, Baranczak A, Wilsbacher JL, Kovar PJ, Bacon-Trusk PE, Cheng M, Hopkins TA, Haman ST, Vasudevan A.: Controlling cellular distribution of drugs with permeability modifying moieties. Medchemcomm, Volume 10 (6), 2019";ChEMBL
MM474328;MM474328;COc1ccccc1N1CCN(CC(O)CN2C(=O)NC(C)(c3ccc(F)cc3)C2=O)CC1;SVRPCXIKUIQHAL-UHFFFAOYSA-N;456.52;1.78;86288948;;;CHEMBL3302600;BBB;EPAM;25;0;"<a href=https://www.ebi.ac.uk/chembl/assay_report_card/CHEMBL4188678/  target=_blank>CHEMBL4188678</a>";;;;;;;;;-5.64;;;;;;;;;;;;"Latacz G, Lubelska A, Jastrzębska-Więsek M, Partyka A, Kucwaj-Brysz K, Wesołowska A, Kieć-Kononowicz K, Handzlik J.: MF-8, a novel promising arylpiperazine-hydantoin based 5-HT7 receptor antagonist: In vitro drug-likeness studies and in vivo pharmacological evaluation. Bioorg Med Chem Lett, Volume 28 (5), 2018";ChEMBL
MM474737;MM474737;CC1(C)CC(c2c[nH]c3c(C(N)=O)cc(-c4ccc(F)cc4)cc23)CCS1(=O)=O;YGYGASJNJTYNOL-CQSZACIVSA-N;414.5;4.14;59332591;;;CHEMBL4565091;GENER;EPAM;25;0;"<a href=https://www.ebi.ac.uk/chembl/assay_report_card/CHEMBL4329666/  target=_blank>CHEMBL4329666</a>";;;;;;;;;-4.55;;;;;;;;;;;;"Kerns JK, Busch-Petersen J, Fu W, Boehm JC, Nie H, Muratore M, Bullion A, Lin G, Li H, Davis R, Lin X, Lakdawala AS, Cousins R, Field R, Payne J, Miller DD, Bamborough P, Christopher JA, Baldwin I, Osborn RR, Yonchuk J, Webb E, Rumsey WL.: 3,5-Disubstituted-indole-7-carboxamides as IKKβ Inhibitors: Optimization of Oral Activity via the C3 Substituent. ACS Med Chem Lett, Volume 9 (12), 2018";ChEMBL
MM472255;MM472255;CCN(C(=O)C(F)(F)F)c1cc2oc(-c3ccc(F)cc3)c(C(=O)NC)c2cc1-c1ccc(OC)c(C(=O)NC2(c3ncccn3)CC2)c1;KTLDBFJVHFKOIM-UHFFFAOYSA-N;675.64;6.4;155550449;;;CHEMBL4566001;GENER;EPAM;25;0;"ph = 7.4, <a href=https://www.ebi.ac.uk/chembl/assay_report_card/CHEMBL4329907/  target=_blank>CHEMBL4329907</a>";;;;;;;;;-4.08;;;;;;;;;;;;"Yeung KS, Beno BR, Mosure K, Zhu J, Grant-Young KA, Parcella K, Anjanappa P, Bora RO, Selvakumar K, Wang YK, Fang H, Krause R, Rigat K, Liu M, Lemm J, Sheriff S, Witmer M, Tredup J, Jardel A, Kish K, Parker D, Haskell R, Santone K, Meanwell NA, Soars MG, Roberts SB, Kadow JF.: Structure-Property Basis for Solving Transporter-Mediated Efflux and Pan-Genotypic Inhibition in HCV NS5B Inhibitors. ACS Med Chem Lett, Volume 9 (12), 2018";ChEMBL
MM472277;MM472277;O=C(CCSc1nc2cc(Cl)ccc2o1)N1CCCC1;ZEVBOEDJZZOGNS-UHFFFAOYSA-N;310.81;3.59;851298;;;CHEMBL4566791;GENER;EPAM;25;0;"ph = 7.4, <a href=https://www.ebi.ac.uk/chembl/assay_report_card/CHEMBL4359384/  target=_blank>CHEMBL4359384</a>";;;;;;;;;-4.11;;;;;;;;;;;;"Moure AL, Narula G, Sorrentino F, Bojang A, Tsui CKM, Sao Emani C, Porras-De Francisco E, Díaz B, Rebollo-López MJ, Torres-Gómez PA, López-Román EM, Camino I, Casado Castro P, Guijarro López L, Ortega F, Ballell L, Barros-Aguirre D, Remuiñán Blanco M, Av-Gay Y.: MymA Bioactivated Thioalkylbenzoxazole Prodrug Family Active against Mycobacterium tuberculosis. J Med Chem, Volume 63 (9), 2020";ChEMBL
MM472324;MM472324;C=CC(=O)N1CC(Oc2c(N)ncnc2-c2cc(F)cc(NC(=O)c3ccc(C4CC4)cc3F)c2C)C1;OSLWRSOLKHYZCC-UHFFFAOYSA-N;505.53;4.22;118107484;;;CHEMBL4567040;GENER;EPAM;25;0;"ph = 6.8, <a href=https://www.ebi.ac.uk/chembl/assay_report_card/CHEMBL4358497/  target=_blank>CHEMBL4358497</a>";;;;;;;;;-5.2;;;;;;;;;;;;"Angst D, Gessier F, Janser P, Vulpetti A, Wälchli R, Beerli C, Littlewood-Evans A, Dawson J, Nuesslein-Hildesheim B, Wieczorek G, Gutmann S, Scheufler C, Hinniger A, Zimmerlin A, Funhoff EG, Pulz R, Cenni B.: Discovery of LOU064 (Remibrutinib), a Potent and Highly Selective Covalent Inhibitor of Bruton's Tyrosine Kinase. J Med Chem, Volume 63 (10), 2020";ChEMBL
MM472882;MM472882;CSc1ncnc2c1c1c(ccn1C)n2C1OC(CO)C(O)C1O;UZNOKGGVHLKRMJ-PMXXHBEXSA-N;350.4;0.26;134229903;;;CHEMBL4567695;GENER;EPAM;25;0;"<a href=https://www.ebi.ac.uk/chembl/assay_report_card/CHEMBL4330289/  target=_blank>CHEMBL4330289</a>";;;;;;;;;-5.69;;;;;;;;;;;;"Tokarenko A, Lišková B, Smoleń S, Táborská N, Tichý M, Gurská S, Perlíková P, Frydrych I, Tloušt'ová E, Znojek P, Mertlíková-Kaiserová H, Poštová Slavětínská L, Pohl R, Klepetářová B, Khalid NU, Wenren Y, Laposa RR, Džubák P, Hajdúch M, Hocek M.: Synthesis and Cytotoxic and Antiviral Profiling of Pyrrolo- and Furo-Fused 7-Deazapurine Ribonucleosides. J Med Chem, Volume 61 (20), 2018";ChEMBL
MM474124;MM474124;CCc1nc(C(=O)NCCCCCCNc2c3c(nc4ccccc24)CCCC3)cc2c1[nH]c1ccccc12;WUZJRHKAIFSDMM-UHFFFAOYSA-N;519.69;7.11;118717405;;;CHEMBL3343882;BBB;EPAM;25;0;"<a href=https://www.ebi.ac.uk/chembl/assay_report_card/CHEMBL3384483/  target=_blank>CHEMBL3384483</a>";;;;;;;;;-5.3;;;;;;;;;;;;"Lan JS, Xie SS, Li SY, Pan LF, Wang XB, Kong LY.: Design, synthesis and evaluation of novel tacrine-(β-carboline) hybrids as multifunctional agents for the treatment of Alzheimer's disease. Bioorg Med Chem, Volume 22 (21), 2014";ChEMBL
MM473723;MM473723;CCNC(=O)c1cc2c(-c3cc(S(C)(=O)=O)ccc3Nc3c(C)cccc3C)cn(C)c(=O)c2[nH]1;SYQXWMGRKFNROA-UHFFFAOYSA-N;492.6;4.05;;;;;GENER;EPAM;25;0;"<a href=https://www.ebi.ac.uk/chembl/assay_report_card/CHEMBL4346341/  target=_blank>CHEMBL4346341</a>";;;;;;;;;-5.44;;;;;;;;;;;;"Sheppard GS, Wang L, Fidanze SD, Hasvold LA, Liu D, Pratt JK, Park CH, Longenecker K, Qiu W, Torrent M, Kovar PJ, Bui M, Faivre E, Huang X, Lin X, Wilcox D, Zhang L, Shen Y, Albert DH, Magoc TJ, Rajaraman G, Kati WM, McDaniel KF.: Discovery of <i>N</i>-Ethyl-4-[2-(4-fluoro-2,6-dimethyl-phenoxy)-5-(1-hydroxy-1-methyl-ethyl)phenyl]-6-methyl-7-oxo-1<i>H</i>-pyrrolo[2,3-<i>c</i>]pyridine-2-carboxamide (ABBV-744), a BET Bromodomain Inhibitor with Selectivity for the Second Bromodomain. J Med Chem, Volume 63 (10), 2020";ChEMBL
MM474123;MM474123;O=C(NCCCCCCNc1c2c(nc3ccccc13)CCCC2)c1cc2c(cn1)[nH]c1ccccc12;OLKLOVAJULLISR-UHFFFAOYSA-N;491.64;6.55;118717425;;;CHEMBL3343922;BBB;EPAM;25;0;"<a href=https://www.ebi.ac.uk/chembl/assay_report_card/CHEMBL3384483/  target=_blank>CHEMBL3384483</a>";;;;;;;;;-5.27;;;;;;;;;;;;"Lan JS, Xie SS, Li SY, Pan LF, Wang XB, Kong LY.: Design, synthesis and evaluation of novel tacrine-(β-carboline) hybrids as multifunctional agents for the treatment of Alzheimer's disease. Bioorg Med Chem, Volume 22 (21), 2014";ChEMBL
MM474125;MM474125;CC(C)(C)OC(=O)N1Cc2[nH]c3ccccc3c2CC1C(=O)NCCCCCCNc1c2c(nc3ccccc13)CCCC2;UTSQNVLOMVPCIW-YTTGMZPUSA-N;595.79;7.05;118717429;;;CHEMBL3343926;BBB;EPAM;25;0;"<a href=https://www.ebi.ac.uk/chembl/assay_report_card/CHEMBL3384483/  target=_blank>CHEMBL3384483</a>";;;;;;;;;-5.24;;;;;;;;;;;;"Lan JS, Xie SS, Li SY, Pan LF, Wang XB, Kong LY.: Design, synthesis and evaluation of novel tacrine-(β-carboline) hybrids as multifunctional agents for the treatment of Alzheimer's disease. Bioorg Med Chem, Volume 22 (21), 2014";ChEMBL
MM472253;MM472253;CCN(C(=O)N(C)C)c1cc2oc(-c3ccc(F)cc3)c(C(=O)NC)c2cc1-c1ccc(OC)c(C(=O)NC2(c3ncccn3)CC2)c1;OYGULRZSBOLZIQ-UHFFFAOYSA-N;650.71;5.99;155562565;;;CHEMBL4571040;GENER;EPAM;25;0;"ph = 7.4, <a href=https://www.ebi.ac.uk/chembl/assay_report_card/CHEMBL4329907/  target=_blank>CHEMBL4329907</a>";;;;;;;;;-4.24;;;;;;;;;;;;"Yeung KS, Beno BR, Mosure K, Zhu J, Grant-Young KA, Parcella K, Anjanappa P, Bora RO, Selvakumar K, Wang YK, Fang H, Krause R, Rigat K, Liu M, Lemm J, Sheriff S, Witmer M, Tredup J, Jardel A, Kish K, Parker D, Haskell R, Santone K, Meanwell NA, Soars MG, Roberts SB, Kadow JF.: Structure-Property Basis for Solving Transporter-Mediated Efflux and Pan-Genotypic Inhibition in HCV NS5B Inhibitors. ACS Med Chem Lett, Volume 9 (12), 2018";ChEMBL
MM474126;MM474126;O=C(NCCCCCCNc1c2c(nc3ccccc13)CCCC2)C1Cc2c([nH]c3ccccc23)CN1;LBOYVYBBAFDIGX-NDEPHWFRSA-N;495.67;5.4;87056148;;;CHEMBL3343927;BBB;EPAM;25;0;"<a href=https://www.ebi.ac.uk/chembl/assay_report_card/CHEMBL3384483/  target=_blank>CHEMBL3384483</a>";;;;;;;;;-5.25;;;;;;;;;;;;"Lan JS, Xie SS, Li SY, Pan LF, Wang XB, Kong LY.: Design, synthesis and evaluation of novel tacrine-(β-carboline) hybrids as multifunctional agents for the treatment of Alzheimer's disease. Bioorg Med Chem, Volume 22 (21), 2014";ChEMBL
MM474298;MM474298;O=C(NC1CCC(O)CC1)c1[nH]ncc1NC(=O)c1c(F)cccc1F;IZIPWCFRXVNDNX-MGCOHNPYSA-N;364.35;1.97;24971320;;;CHEMBL457177;GENER;EPAM;25;0;"<a href=https://www.ebi.ac.uk/chembl/assay_report_card/CHEMBL4151788/  target=_blank>CHEMBL4151788</a>";;;;;;;;;-4.51;;;;;;;;;;;;"Hazlitt RA, Teitz T, Bonga JD, Fang J, Diao S, Iconaru L, Yang L, Goktug AN, Currier DG, Chen T, Rankovic Z, Min J, Zuo J.: Development of Second-Generation CDK2 Inhibitors for the Prevention of Cisplatin-Induced Hearing Loss. J Med Chem, Volume 61 (17), 2018";ChEMBL
MM474127;MM474127;CC(C)(C)OC(=O)NC(Cc1c[nH]c2ccccc12)C(=O)NCCCCCCNc1c2c(nc3ccccc13)CCCC2;SPJCDWMOZIAYNB-HKBQPEDESA-N;583.78;6.82;118717432;;;CHEMBL3343930;BBB;EPAM;25;0;"<a href=https://www.ebi.ac.uk/chembl/assay_report_card/CHEMBL3384483/  target=_blank>CHEMBL3384483</a>";;;;;;;;;-5.26;;;;;;;;;;;;"Lan JS, Xie SS, Li SY, Pan LF, Wang XB, Kong LY.: Design, synthesis and evaluation of novel tacrine-(β-carboline) hybrids as multifunctional agents for the treatment of Alzheimer's disease. Bioorg Med Chem, Volume 22 (21), 2014";ChEMBL
MM473693;MM473693;O=C(c1ccccc1)N1CCCC(c2nc3ncccc3[nH]2)C1;JZHLZZNVUDHUFP-UHFFFAOYSA-N;306.37;2.98;155563662;;;CHEMBL4574040;GENER;EPAM;25;0;"<a href=https://www.ebi.ac.uk/chembl/assay_report_card/CHEMBL4343676/  target=_blank>CHEMBL4343676</a>";;;;;;;;;-5.61;;;;;;;;;;;;"Koovits PJ, Dessoy MA, Matheeussen A, Maes L, Caljon G, Mowbray CE, Kratz JM, Dias LC.: Structure-activity relationship of 4-azaindole-2-piperidine derivatives as agents against Trypanosoma cruzi. Bioorg Med Chem Lett, Volume 30 (1), 2020";ChEMBL
MM474128;MM474128;NC(Cc1c[nH]c2ccccc12)C(=O)NCCCCCCNc1c2c(nc3ccccc13)CCCC2;KADKUQSSIRPDHT-VWLOTQADSA-N;483.66;5.25;118717433;;;CHEMBL3343931;BBB;EPAM;25;0;"<a href=https://www.ebi.ac.uk/chembl/assay_report_card/CHEMBL3384483/  target=_blank>CHEMBL3384483</a>";;;;;;;;;-5.35;;;;;;;;;;;;"Lan JS, Xie SS, Li SY, Pan LF, Wang XB, Kong LY.: Design, synthesis and evaluation of novel tacrine-(β-carboline) hybrids as multifunctional agents for the treatment of Alzheimer's disease. Bioorg Med Chem, Volume 22 (21), 2014";ChEMBL
MM473642;MM473642;CC(=O)c1cccc(N(CCO)c2nc(-c3sc(NC(=O)C(C)(C)C)nc3C)cs2)c1;KHNUPLUQJFLSLN-UHFFFAOYSA-N;458.61;4.89;155560887;;;CHEMBL4574818;GENER;EPAM;25;0;"<a href=https://www.ebi.ac.uk/chembl/assay_report_card/CHEMBL4324521/  target=_blank>CHEMBL4324521</a>";;;;;;;;;-5.96;;;;;;;;;;;;"Tassini S, Langron E, Delang L, Mirabelli C, Lanko K, Crespan E, Kissova M, Tagliavini G, Fontò G, Bertoni S, Palese S, Giorgio C, Ravanetti F, Ragionieri L, Zamperini C, Mancini A, Dreassi E, Maga G, Vergani P, Neyts J, Radi M.: Multitarget CFTR Modulators Endowed with Multiple Beneficial Side Effects for Cystic Fibrosis Patients: Toward a Simplified Therapeutic Approach †. J Med Chem, Volume 62 (23), 2019";ChEMBL
MM473209;MM473209;CC1=CC2Cc3nc4cc(Cl)ccc4c(NCCCCCCNc4c5c(nc6cc(Cl)ccc46)CC4C=C(C)CC5C4)c3C(C1)C2;QGHFTRPRTMZIAB-VIJSPRBVSA-N;651.73;11.17;118719405;;;CHEMBL3353039;BBB;EPAM;25;0;"<a href=https://www.ebi.ac.uk/chembl/assay_report_card/CHEMBL3383778/  target=_blank>CHEMBL3383778</a>";;;;;;;;;-4.95;;;;;;;;;;;;"Sola I, Artigas A, Taylor MC, Gbedema SY, Pérez B, Clos MV, Wright CW, Kelly JM, Muñoz-Torrero D.: Synthesis and antiprotozoal activity of oligomethylene- and  p-phenylene-bis(methylene)-linked bis(+)-huprines. Bioorg Med Chem Lett, Volume 24 (23), 2014";ChEMBL
MM473210;MM473210;CC1=CC2Cc3nc4cc(Cl)ccc4c(NCCCCCCCCNc4c5c(nc6cc(Cl)ccc46)CC4C=C(C)CC5C4)c3C(C1)C2;NPZPAMQSTILFKK-XAZDILKDSA-N;679.78;11.95;118719406;;;CHEMBL3353040;BBB;EPAM;25;0;"<a href=https://www.ebi.ac.uk/chembl/assay_report_card/CHEMBL3383778/  target=_blank>CHEMBL3383778</a>";;;;;;;;;-4.86;;;;;;;;;;;;"Sola I, Artigas A, Taylor MC, Gbedema SY, Pérez B, Clos MV, Wright CW, Kelly JM, Muñoz-Torrero D.: Synthesis and antiprotozoal activity of oligomethylene- and  p-phenylene-bis(methylene)-linked bis(+)-huprines. Bioorg Med Chem Lett, Volume 24 (23), 2014";ChEMBL
MM472332;MM472332;C=CC(=O)N1CC[C@H]1COc1c(N)ncnc1-c1cc(F)cc(NC(=O)c2ccc(C3CC3)cc2F)c1C;VNHKOUCVWYOOAC-IBGZPJMESA-N;519.55;4.61;;;;;GENER;EPAM;25;0;"ph = 6.8, <a href=https://www.ebi.ac.uk/chembl/assay_report_card/CHEMBL4358497/  target=_blank>CHEMBL4358497</a>";;;;;;;;;-3.9;;;;;;;;;;;;"Angst D, Gessier F, Janser P, Vulpetti A, Wälchli R, Beerli C, Littlewood-Evans A, Dawson J, Nuesslein-Hildesheim B, Wieczorek G, Gutmann S, Scheufler C, Hinniger A, Zimmerlin A, Funhoff EG, Pulz R, Cenni B.: Discovery of LOU064 (Remibrutinib), a Potent and Highly Selective Covalent Inhibitor of Bruton's Tyrosine Kinase. J Med Chem, Volume 63 (10), 2020";ChEMBL
MM473211;MM473211;CC1=CC2Cc3nc4cc(Cl)ccc4c(NCCCCCCCCCCNc4c5c(nc6cc(Cl)ccc46)CC4C=C(C)CC5C4)c3C(C1)C2;IUFKKNRHNJARAQ-ZRTHHSRSSA-N;707.83;12.73;118719407;;;CHEMBL3353041;BBB;EPAM;25;0;"<a href=https://www.ebi.ac.uk/chembl/assay_report_card/CHEMBL3383778/  target=_blank>CHEMBL3383778</a>";;;;;;;;;-5.06;;;;;;;;;;;;"Sola I, Artigas A, Taylor MC, Gbedema SY, Pérez B, Clos MV, Wright CW, Kelly JM, Muñoz-Torrero D.: Synthesis and antiprotozoal activity of oligomethylene- and  p-phenylene-bis(methylene)-linked bis(+)-huprines. Bioorg Med Chem Lett, Volume 24 (23), 2014";ChEMBL
MM474736;MM474736;CC1(C)CC(c2c[nH]c3c(C(N)=O)cc(-c4ccccc4)cc23)CCS1(=O)=O;PZNOTHUZGPKYEZ-UHFFFAOYSA-N;396.51;4;59332600;;;CHEMBL4577079;GENER;EPAM;25;0;"<a href=https://www.ebi.ac.uk/chembl/assay_report_card/CHEMBL4329666/  target=_blank>CHEMBL4329666</a>";;;;;;;;;-4.48;;;;;;;;;;;;"Kerns JK, Busch-Petersen J, Fu W, Boehm JC, Nie H, Muratore M, Bullion A, Lin G, Li H, Davis R, Lin X, Lakdawala AS, Cousins R, Field R, Payne J, Miller DD, Bamborough P, Christopher JA, Baldwin I, Osborn RR, Yonchuk J, Webb E, Rumsey WL.: 3,5-Disubstituted-indole-7-carboxamides as IKKβ Inhibitors: Optimization of Oral Activity via the C3 Substituent. ACS Med Chem Lett, Volume 9 (12), 2018";ChEMBL
MM473212;MM473212;CC1=CC2Cc3nc4cc(Cl)ccc4c(NCCCCCCCCCCCCNc4c5c(nc6cc(Cl)ccc46)CC4C=C(C)CC5C4)c3C(C1)C2;BLPZCYRNZOROBR-WZJLIZBTSA-N;735.89;13.51;118719408;;;CHEMBL3353042;BBB;EPAM;25;0;"<a href=https://www.ebi.ac.uk/chembl/assay_report_card/CHEMBL3383778/  target=_blank>CHEMBL3383778</a>";;;;;;;;;-4.76;;;;;;;;;;;;"Sola I, Artigas A, Taylor MC, Gbedema SY, Pérez B, Clos MV, Wright CW, Kelly JM, Muñoz-Torrero D.: Synthesis and antiprotozoal activity of oligomethylene- and  p-phenylene-bis(methylene)-linked bis(+)-huprines. Bioorg Med Chem Lett, Volume 24 (23), 2014";ChEMBL
MM473640;MM473640;Cc1nn(CCOCCOCCNC(=O)OC(C)(C)C)cc1-c1ccc2cc(CCN3CCCC3C)ccc2n1;AFOHSYLABSAJBV-HSZRJFAPSA-N;551.73;4.99;155565722;;;CHEMBL4579195;GENER;EPAM;25;0;"<a href=https://www.ebi.ac.uk/chembl/assay_report_card/CHEMBL4312050/  target=_blank>CHEMBL4312050</a>";;;;;;;;;-6.06;;;;;;;;;;;;"Richardson PL, Marin VL, Koeniger SL, Baranczak A, Wilsbacher JL, Kovar PJ, Bacon-Trusk PE, Cheng M, Hopkins TA, Haman ST, Vasudevan A.: Controlling cellular distribution of drugs with permeability modifying moieties. Medchemcomm, Volume 10 (6), 2019";ChEMBL
MM473213;MM473213;CC1=CC2Cc3nc4cc(Cl)ccc4c(NCc4ccc(CNc5c6c(nc7cc(Cl)ccc57)CC5C=C(C)CC6C5)cc4)c3C(C1)C2;ASENLOWIVRYAAI-XAZDILKDSA-N;671.72;11.31;118719409;;;CHEMBL3353043;BBB;EPAM;25;0;"<a href=https://www.ebi.ac.uk/chembl/assay_report_card/CHEMBL3383778/  target=_blank>CHEMBL3383778</a>";;;;;;;;;-5.08;;;;;;;;;;;;"Sola I, Artigas A, Taylor MC, Gbedema SY, Pérez B, Clos MV, Wright CW, Kelly JM, Muñoz-Torrero D.: Synthesis and antiprotozoal activity of oligomethylene- and  p-phenylene-bis(methylene)-linked bis(+)-huprines. Bioorg Med Chem Lett, Volume 24 (23), 2014";ChEMBL
MM473686;MM473686;O=C(c1cc(C(F)(F)F)[nH]n1)N1CCCC(c2cc3ncccc3[nH]2)C1;UCYDPBRUQDHQIG-UHFFFAOYSA-N;363.34;3.32;155561248;;;CHEMBL4581455;GENER;EPAM;25;0;"<a href=https://www.ebi.ac.uk/chembl/assay_report_card/CHEMBL4343676/  target=_blank>CHEMBL4343676</a>";;;;;;;;;-6.06;;;;;;;;;;;;"Koovits PJ, Dessoy MA, Matheeussen A, Maes L, Caljon G, Mowbray CE, Kratz JM, Dias LC.: Structure-activity relationship of 4-azaindole-2-piperidine derivatives as agents against Trypanosoma cruzi. Bioorg Med Chem Lett, Volume 30 (1), 2020";ChEMBL
MM473703;MM473703;CN1CCN(c2cc(F)c3c(c2)N(C)C(=O)C32CCN(c3nc4c(c(=O)[nH]3)CCCN4C)CC2)CC1;PAMGRUFJDHRZSY-UHFFFAOYSA-N;495.6;1.56;138594570;;;CHEMBL4582280;GENER;EPAM;25;0;"<a href=https://www.ebi.ac.uk/chembl/assay_report_card/CHEMBL4345400/  target=_blank>CHEMBL4345400</a>";;;;;;;;;-4.89;;;;;;;;;;;;"Shirai F, Mizutani A, Yashiroda Y, Tsumura T, Kano Y, Muramatsu Y, Chikada T, Yuki H, Niwa H, Sato S, Washizuka K, Koda Y, Mazaki Y, Jang MK, Yoshida H, Nagamori A, Okue M, Watanabe T, Kitamura K, Shitara E, Honma T, Umehara T, Shirouzu M, Fukami T, Seimiya H, Yoshida M, Koyama H.: Design and Discovery of an Orally Efficacious Spiroindolinone-Based Tankyrase Inhibitor for the Treatment of Colon Cancer. J Med Chem, Volume 63 (8), 2020";ChEMBL
MM472247;MM472247;Nc1c(C(=O)NC2CCCc3c(OCc4ccccc4)cccc32)[nH]c(=O)[nH]c1=O;;406.44;2.03;117926774;;;CHEMBL4583457;GENER;EPAM;25;0;"ph = 5.5, <a href=https://www.ebi.ac.uk/chembl/assay_report_card/CHEMBL4327021/  target=_blank>CHEMBL4327021</a>";;;;;;;;;-4.02;;;;;;;;;;;;"Hu CH, Wang TC, Qiao JX, Haque L, Chen AYA, Taylor DS, Ying X, Onorato JM, Galella M, Shen H, Huang CS, Toussaint N, Li YX, Abell L, Adam LP, Gordon D, Wexler RR, Finlay HJ.: Discovery and synthesis of tetrahydropyrimidinedione-4-carboxamides as endothelial lipase inhibitors. Bioorg Med Chem Lett, Volume 28 (23-24), 2018";ChEMBL
MM472247;MM472247;Nc1c(C(=O)NC2CCCc3c(OCc4ccccc4)cccc32)[nH]c(=O)[nH]c1=O;;406.44;2.03;117926774;;;CHEMBL4583457;GENER;EPAM;25;0;"ph = 7.4, <a href=https://www.ebi.ac.uk/chembl/assay_report_card/CHEMBL4327022/  target=_blank>CHEMBL4327022</a>";;;;;;;;;-4.15;;;;;;;;;;;;"Hu CH, Wang TC, Qiao JX, Haque L, Chen AYA, Taylor DS, Ying X, Onorato JM, Galella M, Shen H, Huang CS, Toussaint N, Li YX, Abell L, Adam LP, Gordon D, Wexler RR, Finlay HJ.: Discovery and synthesis of tetrahydropyrimidinedione-4-carboxamides as endothelial lipase inhibitors. Bioorg Med Chem Lett, Volume 28 (23-24), 2018";ChEMBL
MM471625;MM471625;Nc1ccc(Sc2ccc([N+](=O)[O-])c(Cl)c2)cc1;AARSJNGVCQWNOS-UHFFFAOYSA-N;280.74;3.98;;;;;BBB;EPAM;25;+1,-1;"ph = 7.4, <a href=https://www.ebi.ac.uk/chembl/assay_report_card/CHEMBL3383883/  target=_blank>CHEMBL3383883</a>";;;;;;;;;-5.72;;;;;;;;;;;;"García AM, Brea J, Morales-García JA, Perez DI, González A, Alonso-Gil S, Gracia-Rubio I, Ros-Simó C, Conde S, Cadavid MI, Loza MI, Perez-Castillo A, Valverde O, Martinez A, Gil C.: Modulation of cAMP-specific PDE without emetogenic activity: new sulfide-like PDE7 inhibitors. J Med Chem, Volume 57 (20), 2014";ChEMBL
MM472257;MM472257;CCN(c1cc2oc(-c3ccc(F)cc3)c(C(=O)NC)c2cc1-c1cc(F)c(OC)c(C(=O)NC2(c3ncccn3)CC2)c1)S(C)(=O)=O;GNVCMYILVHMRRT-UHFFFAOYSA-N;675.71;5.41;155561940;;;CHEMBL4583513;GENER;EPAM;25;0;"ph = 7.4, <a href=https://www.ebi.ac.uk/chembl/assay_report_card/CHEMBL4329907/  target=_blank>CHEMBL4329907</a>";;;;;;;;;-4.18;;;;;;;;;;;;"Yeung KS, Beno BR, Mosure K, Zhu J, Grant-Young KA, Parcella K, Anjanappa P, Bora RO, Selvakumar K, Wang YK, Fang H, Krause R, Rigat K, Liu M, Lemm J, Sheriff S, Witmer M, Tredup J, Jardel A, Kish K, Parker D, Haskell R, Santone K, Meanwell NA, Soars MG, Roberts SB, Kadow JF.: Structure-Property Basis for Solving Transporter-Mediated Efflux and Pan-Genotypic Inhibition in HCV NS5B Inhibitors. ACS Med Chem Lett, Volume 9 (12), 2018";ChEMBL
MM471626;MM471626;O=[N+]([O-])c1ccc(Cl)cc1Sc1ccccc1Br;GOTDDBOSUNDDOL-UHFFFAOYSA-N;344.62;5.16;;;;;BBB;EPAM;25;+1,-1;"ph = 7.4, <a href=https://www.ebi.ac.uk/chembl/assay_report_card/CHEMBL3383883/  target=_blank>CHEMBL3383883</a>";;;;;;;;;-5.72;;;;;;;;;;;;"García AM, Brea J, Morales-García JA, Perez DI, González A, Alonso-Gil S, Gracia-Rubio I, Ros-Simó C, Conde S, Cadavid MI, Loza MI, Perez-Castillo A, Valverde O, Martinez A, Gil C.: Modulation of cAMP-specific PDE without emetogenic activity: new sulfide-like PDE7 inhibitors. J Med Chem, Volume 57 (20), 2014";ChEMBL
MM473698;MM473698;NCc1cccc(C2CCN(C(=O)c3cccc4ccc(B(O)O)cc34)CC2)c1;GNVCVDWHRVFTIC-UHFFFAOYSA-N;388.28;2;52933216;;;CHEMBL4584645;GENER;EPAM;25;0;"<a href=https://www.ebi.ac.uk/chembl/assay_report_card/CHEMBL4344458/  target=_blank>CHEMBL4344458</a>";;;;;;;;;-5.69;;;;;;;;;;;;"Giardina SF, Werner DS, Pingle M, Feinberg PB, Foreman KW, Bergstrom DE, Arnold LD, Barany F.: Novel, Self-Assembling Dimeric Inhibitors of Human β Tryptase. J Med Chem, Volume 63 (6), 2020";ChEMBL
MM471627;MM471627;O=[N+]([O-])c1cc(Cl)ccc1Sc1ccccc1Br;UFVJFFJOHXFYJP-UHFFFAOYSA-N;344.62;5.16;;;;;BBB;EPAM;25;+1,-1;"ph = 7.4, <a href=https://www.ebi.ac.uk/chembl/assay_report_card/CHEMBL3383883/  target=_blank>CHEMBL3383883</a>";;;;;;;;;-5.72;;;;;;;;;;;;"García AM, Brea J, Morales-García JA, Perez DI, González A, Alonso-Gil S, Gracia-Rubio I, Ros-Simó C, Conde S, Cadavid MI, Loza MI, Perez-Castillo A, Valverde O, Martinez A, Gil C.: Modulation of cAMP-specific PDE without emetogenic activity: new sulfide-like PDE7 inhibitors. J Med Chem, Volume 57 (20), 2014";ChEMBL
MM473662;MM473662;COc1cccc(C(C)NC(=O)c2ccc(-c3ccnnc3)cc2)c1;FCHCWQPKXAUAEQ-CQSZACIVSA-N;333.39;3.64;155557555;;;CHEMBL4584824;GENER;EPAM;25;0;"<a href=https://www.ebi.ac.uk/chembl/assay_report_card/CHEMBL4328672/  target=_blank>CHEMBL4328672</a>";;;;;;;;;-4.9;;;;;;;;;;;;"Hobson AD, Judge RA, Aguirre AL, Brown BS, Cui Y, Ding P, Dominguez E, DiGiammarino E, Egan DA, Freiberg GM, Gopalakrishnan SM, Harris CM, Honore MP, Kage KL, Kapecki NJ, Ling C, Ma J, Mack H, Mamo M, Maurus S, McRae B, Moore NS, Mueller BK, Mueller R, Namovic MT, Patel K, Pratt SD, Putman CB, Queeney KL, Sarris KK, Schaffter LM, Stoll V, Vasudevan A, Wang L, Wang L, Wirthl W, Yach K.: Identification of Selective Dual ROCK1 and ROCK2 Inhibitors Using Structure-Based Drug Design. J Med Chem, Volume 61 (24), 2018";ChEMBL
MM471628;MM471628;Nc1ccc(Sc2ccc(Cl)cc2[N+](=O)[O-])cc1;HZBYBPWTEQRTGG-UHFFFAOYSA-N;280.74;3.98;;;;;BBB;EPAM;25;+1,-1;"ph = 7.4, <a href=https://www.ebi.ac.uk/chembl/assay_report_card/CHEMBL3383883/  target=_blank>CHEMBL3383883</a>";;;;;;;;;-5.72;;;;;;;;;;;;"García AM, Brea J, Morales-García JA, Perez DI, González A, Alonso-Gil S, Gracia-Rubio I, Ros-Simó C, Conde S, Cadavid MI, Loza MI, Perez-Castillo A, Valverde O, Martinez A, Gil C.: Modulation of cAMP-specific PDE without emetogenic activity: new sulfide-like PDE7 inhibitors. J Med Chem, Volume 57 (20), 2014";ChEMBL
MM472273;MM472273;Cn1c(C(=O)NC2(c3ccc([C@@H](O)c4cccnc4)cc3)COC2)cc2c(Cl)c(Cl)ccc21;YBVGWRRPMBSVHG-HSZRJFAPSA-N;482.37;4.62;;;;;GENER;EPAM;25;0;"ph = 7.4, <a href=https://www.ebi.ac.uk/chembl/assay_report_card/CHEMBL4350236/  target=_blank>CHEMBL4350236</a>";;;;;;;;;-4.68;;;;;;;;;;;;"Mullarky E, Xu J, Robin AD, Huggins DJ, Jennings A, Noguchi N, Olland A, Lakshminarasimhan D, Miller M, Tomita D, Michino M, Su T, Zhang G, Stamford AW, Meinke PT, Kargman S, Cantley LC.: Inhibition of 3-phosphoglycerate dehydrogenase (PHGDH) by indole amides abrogates de novo serine synthesis in cancer cells. Bioorg Med Chem Lett, Volume 29 (17), 2019";ChEMBL
MM471629;MM471629;O=[N+]([O-])c1ccc(Sc2ccccn2)c(Cl)c1;XLOWLZLIGWLAPQ-UHFFFAOYSA-N;266.71;3.79;;;;;BBB;EPAM;25;+1,-1;"ph = 7.4, <a href=https://www.ebi.ac.uk/chembl/assay_report_card/CHEMBL3383883/  target=_blank>CHEMBL3383883</a>";;;;;;;;;-5.72;;;;;;;;;;;;"García AM, Brea J, Morales-García JA, Perez DI, González A, Alonso-Gil S, Gracia-Rubio I, Ros-Simó C, Conde S, Cadavid MI, Loza MI, Perez-Castillo A, Valverde O, Martinez A, Gil C.: Modulation of cAMP-specific PDE without emetogenic activity: new sulfide-like PDE7 inhibitors. J Med Chem, Volume 57 (20), 2014";ChEMBL
MM472883;MM472883;Cc1ncnc2c1c1occc1n2C1OC(CO)C(O)C1O;FFRYCGOSSQOBHH-IDTAVKCVSA-N;305.29;0.1;134229890;;;CHEMBL4585910;GENER;EPAM;25;0;"<a href=https://www.ebi.ac.uk/chembl/assay_report_card/CHEMBL4330289/  target=_blank>CHEMBL4330289</a>";;;;;;;;;-6.88;;;;;;;;;;;;"Tokarenko A, Lišková B, Smoleń S, Táborská N, Tichý M, Gurská S, Perlíková P, Frydrych I, Tloušt'ová E, Znojek P, Mertlíková-Kaiserová H, Poštová Slavětínská L, Pohl R, Klepetářová B, Khalid NU, Wenren Y, Laposa RR, Džubák P, Hajdúch M, Hocek M.: Synthesis and Cytotoxic and Antiviral Profiling of Pyrrolo- and Furo-Fused 7-Deazapurine Ribonucleosides. J Med Chem, Volume 61 (20), 2018";ChEMBL
MM471630;MM471630;O=[N+]([O-])c1ccc(Sc2ccncc2)c(Cl)c1;WQQNYFFWISBZNB-UHFFFAOYSA-N;266.71;3.79;;;;;BBB;EPAM;25;+1,-1;"ph = 7.4, <a href=https://www.ebi.ac.uk/chembl/assay_report_card/CHEMBL3383883/  target=_blank>CHEMBL3383883</a>";;;;;;;;;-5.72;;;;;;;;;;;;"García AM, Brea J, Morales-García JA, Perez DI, González A, Alonso-Gil S, Gracia-Rubio I, Ros-Simó C, Conde S, Cadavid MI, Loza MI, Perez-Castillo A, Valverde O, Martinez A, Gil C.: Modulation of cAMP-specific PDE without emetogenic activity: new sulfide-like PDE7 inhibitors. J Med Chem, Volume 57 (20), 2014";ChEMBL
MM472246;MM472246;Nc1c(C(=O)NC2CCC(c3ccccc3)c3ccccc32)[nH]c(=O)[nH]c1=O;;376.42;2.04;117926750;;;CHEMBL4586520;GENER;EPAM;25;0;"ph = 5.5, <a href=https://www.ebi.ac.uk/chembl/assay_report_card/CHEMBL4327021/  target=_blank>CHEMBL4327021</a>";;;;;;;;;-4.54;;;;;;;;;;;;"Hu CH, Wang TC, Qiao JX, Haque L, Chen AYA, Taylor DS, Ying X, Onorato JM, Galella M, Shen H, Huang CS, Toussaint N, Li YX, Abell L, Adam LP, Gordon D, Wexler RR, Finlay HJ.: Discovery and synthesis of tetrahydropyrimidinedione-4-carboxamides as endothelial lipase inhibitors. Bioorg Med Chem Lett, Volume 28 (23-24), 2018";ChEMBL
MM471631;MM471631;O=[N+]([O-])c1cc(Cl)ccc1Sc1ccncc1;VGQCOWWMSJJMKU-UHFFFAOYSA-N;266.71;3.79;;;;;BBB;EPAM;25;+1,-1;"ph = 7.4, <a href=https://www.ebi.ac.uk/chembl/assay_report_card/CHEMBL3383883/  target=_blank>CHEMBL3383883</a>";;;;;;;;;-5.72;;;;;;;;;;;;"García AM, Brea J, Morales-García JA, Perez DI, González A, Alonso-Gil S, Gracia-Rubio I, Ros-Simó C, Conde S, Cadavid MI, Loza MI, Perez-Castillo A, Valverde O, Martinez A, Gil C.: Modulation of cAMP-specific PDE without emetogenic activity: new sulfide-like PDE7 inhibitors. J Med Chem, Volume 57 (20), 2014";ChEMBL
MM472246;MM472246;Nc1c(C(=O)NC2CCC(c3ccccc3)c3ccccc32)[nH]c(=O)[nH]c1=O;;376.42;2.04;117926750;;;CHEMBL4586520;GENER;EPAM;25;0;"ph = 7.4, <a href=https://www.ebi.ac.uk/chembl/assay_report_card/CHEMBL4327022/  target=_blank>CHEMBL4327022</a>";;;;;;;;;-4.49;;;;;;;;;;;;"Hu CH, Wang TC, Qiao JX, Haque L, Chen AYA, Taylor DS, Ying X, Onorato JM, Galella M, Shen H, Huang CS, Toussaint N, Li YX, Abell L, Adam LP, Gordon D, Wexler RR, Finlay HJ.: Discovery and synthesis of tetrahydropyrimidinedione-4-carboxamides as endothelial lipase inhibitors. Bioorg Med Chem Lett, Volume 28 (23-24), 2018";ChEMBL
MM473667;MM473667;COc1cccc(C(C)NC(=O)c2ccc(-c3ccnc(NCCCO)c3)cc2)c1;JITJVUCWRMTDAV-QGZVFWFLSA-N;405.5;4.04;155567304;;;CHEMBL4588929;GENER;EPAM;25;0;"<a href=https://www.ebi.ac.uk/chembl/assay_report_card/CHEMBL4328672/  target=_blank>CHEMBL4328672</a>";;;;;;;;;-5.04;;;;;;;;;;;;"Hobson AD, Judge RA, Aguirre AL, Brown BS, Cui Y, Ding P, Dominguez E, DiGiammarino E, Egan DA, Freiberg GM, Gopalakrishnan SM, Harris CM, Honore MP, Kage KL, Kapecki NJ, Ling C, Ma J, Mack H, Mamo M, Maurus S, McRae B, Moore NS, Mueller BK, Mueller R, Namovic MT, Patel K, Pratt SD, Putman CB, Queeney KL, Sarris KK, Schaffter LM, Stoll V, Vasudevan A, Wang L, Wang L, Wirthl W, Yach K.: Identification of Selective Dual ROCK1 and ROCK2 Inhibitors Using Structure-Based Drug Design. J Med Chem, Volume 61 (24), 2018";ChEMBL
MM472323;MM472323;C=CC(=O)N1CCC(Oc2c(N)ncnc2-c2cc(F)cc(NC(=O)c3ccc(C4CC4)cc3)c2C)C1;WFYFIDGMBPHQRF-UHFFFAOYSA-N;501.56;4.47;155567699;;;CHEMBL4589396;GENER;EPAM;25;0;"ph = 6.8, <a href=https://www.ebi.ac.uk/chembl/assay_report_card/CHEMBL4358497/  target=_blank>CHEMBL4358497</a>";;;;;;;;;-6.2;;;;;;;;;;;;"Angst D, Gessier F, Janser P, Vulpetti A, Wälchli R, Beerli C, Littlewood-Evans A, Dawson J, Nuesslein-Hildesheim B, Wieczorek G, Gutmann S, Scheufler C, Hinniger A, Zimmerlin A, Funhoff EG, Pulz R, Cenni B.: Discovery of LOU064 (Remibrutinib), a Potent and Highly Selective Covalent Inhibitor of Bruton's Tyrosine Kinase. J Med Chem, Volume 63 (10), 2020";ChEMBL
MM472276;MM472276;CC(=O)OC(C)OC(=O)C(c1ccc(C2(NC(=O)c3cc4c(Cl)c(Cl)ccc4n3C)COC2)cc1)c1cccnc1;DMTXRTLDBZBPQQ-UHFFFAOYSA-N;596.47;5.12;155569162;;;CHEMBL4589459;GENER;EPAM;25;0;"ph = 7.4, <a href=https://www.ebi.ac.uk/chembl/assay_report_card/CHEMBL4350236/  target=_blank>CHEMBL4350236</a>";;;;;;;;;-4.93;;;;;;;;;;;;"Mullarky E, Xu J, Robin AD, Huggins DJ, Jennings A, Noguchi N, Olland A, Lakshminarasimhan D, Miller M, Tomita D, Michino M, Su T, Zhang G, Stamford AW, Meinke PT, Kargman S, Cantley LC.: Inhibition of 3-phosphoglycerate dehydrogenase (PHGDH) by indole amides abrogates de novo serine synthesis in cancer cells. Bioorg Med Chem Lett, Volume 29 (17), 2019";ChEMBL
MM473637;MM473637;Cc1nn(CCOCCOCCNC(=O)C2C(C(=O)O)C(C(=O)O)C2C(=O)O)cc1-c1ccc2cc(CCN3CCCC3C)ccc2n1;UPIRPVAFRMKUTD-QNYSQSKBSA-N;665.74;2.32;155567862;;;CHEMBL4590119;GENER;EPAM;25;0;"<a href=https://www.ebi.ac.uk/chembl/assay_report_card/CHEMBL4312050/  target=_blank>CHEMBL4312050</a>";;;;;;;;;-7.88;;;;;;;;;;;;"Richardson PL, Marin VL, Koeniger SL, Baranczak A, Wilsbacher JL, Kovar PJ, Bacon-Trusk PE, Cheng M, Hopkins TA, Haman ST, Vasudevan A.: Controlling cellular distribution of drugs with permeability modifying moieties. Medchemcomm, Volume 10 (6), 2019";ChEMBL
MM474734;MM474734;NC(=O)c1cc(-c2ccccc2)cc2c(C3CCS(=O)(=O)CC3)c[nH]c12;XNXQMKGGFGDFEC-UHFFFAOYSA-N;368.46;3.23;24944518;;;CHEMBL4590548;GENER;EPAM;25;0;"<a href=https://www.ebi.ac.uk/chembl/assay_report_card/CHEMBL4329666/  target=_blank>CHEMBL4329666</a>";;;;;;;;;-4.56;;;;;;;;;;;;"Kerns JK, Busch-Petersen J, Fu W, Boehm JC, Nie H, Muratore M, Bullion A, Lin G, Li H, Davis R, Lin X, Lakdawala AS, Cousins R, Field R, Payne J, Miller DD, Bamborough P, Christopher JA, Baldwin I, Osborn RR, Yonchuk J, Webb E, Rumsey WL.: 3,5-Disubstituted-indole-7-carboxamides as IKKβ Inhibitors: Optimization of Oral Activity via the C3 Substituent. ACS Med Chem Lett, Volume 9 (12), 2018";ChEMBL
MM472333;MM472333;C=CC(=O)N1CCC1COc1c(N)ncnc1-c1cc(F)cc(NC(=O)c2ccc(C3CC3)cc2F)c1C;VNHKOUCVWYOOAC-LJQANCHMSA-N;519.55;4.61;118107408;;;CHEMBL4591291;GENER;EPAM;25;0;"ph = 6.8, <a href=https://www.ebi.ac.uk/chembl/assay_report_card/CHEMBL4358497/  target=_blank>CHEMBL4358497</a>";;;;;;;;;-4.1;;;;;;;;;;;;"Angst D, Gessier F, Janser P, Vulpetti A, Wälchli R, Beerli C, Littlewood-Evans A, Dawson J, Nuesslein-Hildesheim B, Wieczorek G, Gutmann S, Scheufler C, Hinniger A, Zimmerlin A, Funhoff EG, Pulz R, Cenni B.: Discovery of LOU064 (Remibrutinib), a Potent and Highly Selective Covalent Inhibitor of Bruton's Tyrosine Kinase. J Med Chem, Volume 63 (10), 2020";ChEMBL
MM473688;MM473688;O=C(c1cc(C2CC2)no1)N1CCCC(c2cc3ncccc3[nH]2)C1;GEMRJPCLJHHBIJ-UHFFFAOYSA-N;336.4;3.45;155568600;;;CHEMBL4591379;GENER;EPAM;25;0;"<a href=https://www.ebi.ac.uk/chembl/assay_report_card/CHEMBL4343676/  target=_blank>CHEMBL4343676</a>";;;;;;;;;-5.5;;;;;;;;;;;;"Koovits PJ, Dessoy MA, Matheeussen A, Maes L, Caljon G, Mowbray CE, Kratz JM, Dias LC.: Structure-activity relationship of 4-azaindole-2-piperidine derivatives as agents against Trypanosoma cruzi. Bioorg Med Chem Lett, Volume 30 (1), 2020";ChEMBL
MM473237;MM473237;Cc1c(C)c2ccc(N=Cc3ccccc3O)cc2oc1=O;OCEGQDAYHXMRMT-VXLYETTFSA-N;293.32;3.87;136966269;;;CHEMBL3394530;BBB;EPAM;25;0;"<a href=https://www.ebi.ac.uk/chembl/assay_report_card/CHEMBL3396583/  target=_blank>CHEMBL3396583</a>";;;;;;;;;-4.97;;;;;;;;;;;;"Huang M, Xie SS, Jiang N, Lan JS, Kong LY, Wang XB.: Multifunctional coumarin derivatives: monoamine oxidase B (MAO-B) inhibition, anti-β-amyloid (Aβ) aggregation and metal chelation properties against Alzheimer's disease. Bioorg Med Chem Lett, Volume 25 (3), 2015";ChEMBL
MM472884;MM472884;CSc1ncnc2c1c1occc1n2C1OC(CO)C(O)C1O;SWQLIPCORWXTQV-AKAIJSEGSA-N;337.36;0.51;134229926;;;CHEMBL4591383;GENER;EPAM;25;0;"<a href=https://www.ebi.ac.uk/chembl/assay_report_card/CHEMBL4330289/  target=_blank>CHEMBL4330289</a>";;;;;;;;;-5.99;;;;;;;;;;;;"Tokarenko A, Lišková B, Smoleń S, Táborská N, Tichý M, Gurská S, Perlíková P, Frydrych I, Tloušt'ová E, Znojek P, Mertlíková-Kaiserová H, Poštová Slavětínská L, Pohl R, Klepetářová B, Khalid NU, Wenren Y, Laposa RR, Džubák P, Hajdúch M, Hocek M.: Synthesis and Cytotoxic and Antiviral Profiling of Pyrrolo- and Furo-Fused 7-Deazapurine Ribonucleosides. J Med Chem, Volume 61 (20), 2018";ChEMBL
MM473236;MM473236;O=c1oc2cc(N=Cc3ccccc3O)ccc2c2c1CCC2;QTRIOHGFYUMXEM-RGVLZGJSSA-N;305.33;3.74;136035755;;;CHEMBL3394533;BBB;EPAM;25;0;"<a href=https://www.ebi.ac.uk/chembl/assay_report_card/CHEMBL3396583/  target=_blank>CHEMBL3396583</a>";;;;;;;;;-5.05;;;;;;;;;;;;"Huang M, Xie SS, Jiang N, Lan JS, Kong LY, Wang XB.: Multifunctional coumarin derivatives: monoamine oxidase B (MAO-B) inhibition, anti-β-amyloid (Aβ) aggregation and metal chelation properties against Alzheimer's disease. Bioorg Med Chem Lett, Volume 25 (3), 2015";ChEMBL
MM471459;MM471459;C=C(C)[C@@H]1CC[C@]2(C(=O)O)CC[C@]3(C)[C@H](CC[C@@H]4[C@@]5(C)Cc6sc(N)nc6C(C)(C)[C@@H]5CC[C@]43C)[C@@H]12;ODIHQYMUHPRVPR-NXEQSAOGSA-N;510.79;7.48;;;;;GENER;EPAM;25;0;"ph = 7.4, <a href=https://www.ebi.ac.uk/chembl/assay_report_card/CHEMBL4315699/  target=_blank>CHEMBL4315699</a>";;;;;;;;;-5.34;;;;;;;;;;;;"Borková L, Frydrych I, Jakubcová N, Adámek R, Lišková B, Gurská S, Medvedíková M, Hajdúch M, Urban M.: Synthesis and biological evaluation of triterpenoid thiazoles derived from betulonic acid, dihydrobetulonic acid, and ursonic acid. Eur J Med Chem, Volume 185, 2020";ChEMBL
MM473235;MM473235;Cc1c(C)c2ccc(N=Cc3ccc(O)cc3O)cc2oc1=O;NPWWMJDEQZUQBN-DJKKODMXSA-N;309.32;3.57;136035754;;;CHEMBL3394534;BBB;EPAM;25;0;"<a href=https://www.ebi.ac.uk/chembl/assay_report_card/CHEMBL3396583/  target=_blank>CHEMBL3396583</a>";;;;;;;;;-5.17;;;;;;;;;;;;"Huang M, Xie SS, Jiang N, Lan JS, Kong LY, Wang XB.: Multifunctional coumarin derivatives: monoamine oxidase B (MAO-B) inhibition, anti-β-amyloid (Aβ) aggregation and metal chelation properties against Alzheimer's disease. Bioorg Med Chem Lett, Volume 25 (3), 2015";ChEMBL
MM471784;MM471784;Cc1cc(C(=O)N2CCc3c(c(=O)oc4c(C)c(N5CCN(C)CC5)ccc34)C2)ccc1NS(C)(=O)=O;KKBRRNNDFZASCJ-UHFFFAOYSA-N;524.64;2.73;155554333;;;CHEMBL4592118;GENER;EPAM;25;0;"ph = 7.4, <a href=https://www.ebi.ac.uk/chembl/assay_report_card/CHEMBL4338138/  target=_blank>CHEMBL4338138</a>";;;;;;;;;-4.64;;;;;;;;;;;;"Kawai J, Toki T, Ota M, Inoue H, Takata Y, Asahi T, Suzuki M, Shimada T, Ono K, Suzuki K, Takaishi S, Ohki H, Matsui S, Tsutsumi S, Hirota Y, Nakayama K.: Discovery of a Potent, Selective, and Orally Available MTHFD2 Inhibitor (DS18561882) with in Vivo Antitumor Activity. J Med Chem, Volume 62 (22), 2019";ChEMBL
MM473234;MM473234;O=c1oc2cc(N=Cc3ccc(O)cc3O)ccc2c2c1CCC2;CDVYYTNUPRMDNC-KEBDBYFISA-N;321.33;3.44;136966266;;;CHEMBL3394537;BBB;EPAM;25;0;"<a href=https://www.ebi.ac.uk/chembl/assay_report_card/CHEMBL3396583/  target=_blank>CHEMBL3396583</a>";;;;;;;;;-5.33;;;;;;;;;;;;"Huang M, Xie SS, Jiang N, Lan JS, Kong LY, Wang XB.: Multifunctional coumarin derivatives: monoamine oxidase B (MAO-B) inhibition, anti-β-amyloid (Aβ) aggregation and metal chelation properties against Alzheimer's disease. Bioorg Med Chem Lett, Volume 25 (3), 2015";ChEMBL
MM472965;MM472965;Cc1ccc(C)c(CNC(=O)C(=O)NC(C)C(=O)NC(CC(=O)O)C(=O)COc2c(F)c(F)cc(F)c2F)c1;WQCDXFCLSJKPFB-GUYCJALGSA-N;555.48;1.59;44570509;;;CHEMBL464037;GENER;EPAM;25;0;"<a href=https://www.ebi.ac.uk/chembl/assay_report_card/CHEMBL1021345/  target=_blank>CHEMBL1021345</a>";;;;;;;;;-5.38;;;;;;;;;;;;"Ueno H, Kawai M, Shimokawa H, Hirota M, Ohmi M, Sudo R, Ohta A, Arano Y, Hattori K, Ohmi T, Kato N, Kojima M, Ueno Y, Yamamoto M, Moriguchi Y, Eda H, Masubuchi K.: Synthesis and structure-activity relationships of oxamyl dipeptide caspase inhibitors developed for the treatment of liver disease. Bioorg Med Chem Lett, Volume 19 (1), 2009";ChEMBL
MM473233;MM473233;Cc1c(C)c2ccc(NCc3ccccc3O)cc2oc1=O;VNSDMWAFZUOXBD-UHFFFAOYSA-N;295.34;3.73;118726187;;;CHEMBL3394541;BBB;EPAM;25;0;"<a href=https://www.ebi.ac.uk/chembl/assay_report_card/CHEMBL3396583/  target=_blank>CHEMBL3396583</a>";;;;;;;;;-4.91;;;;;;;;;;;;"Huang M, Xie SS, Jiang N, Lan JS, Kong LY, Wang XB.: Multifunctional coumarin derivatives: monoamine oxidase B (MAO-B) inhibition, anti-β-amyloid (Aβ) aggregation and metal chelation properties against Alzheimer's disease. Bioorg Med Chem Lett, Volume 25 (3), 2015";ChEMBL
MM472964;MM472964;Cc1ccc(CNC(=O)C(=O)NC(C)C(=O)NC(CC(=O)O)C(=O)COc2c(F)c(F)cc(F)c2F)cc1C;PDYZTSBNHZTQRX-GUYCJALGSA-N;555.48;1.59;44570510;;;CHEMBL464038;GENER;EPAM;25;0;"<a href=https://www.ebi.ac.uk/chembl/assay_report_card/CHEMBL1021345/  target=_blank>CHEMBL1021345</a>";;;;;;;;;-5.43;;;;;;;;;;;;"Ueno H, Kawai M, Shimokawa H, Hirota M, Ohmi M, Sudo R, Ohta A, Arano Y, Hattori K, Ohmi T, Kato N, Kojima M, Ueno Y, Yamamoto M, Moriguchi Y, Eda H, Masubuchi K.: Synthesis and structure-activity relationships of oxamyl dipeptide caspase inhibitors developed for the treatment of liver disease. Bioorg Med Chem Lett, Volume 19 (1), 2009";ChEMBL
MM472962;MM472962;CC(NC(=O)C(=O)NCc1ccc(Cl)cc1Cl)C(=O)NC(CC(=O)O)C(=O)COc1c(F)c(F)cc(F)c1F;KQRRQQVJYJAUOH-VFZGTOFNSA-N;596.32;2.28;44570542;;;CHEMBL465092;GENER;EPAM;25;0;"<a href=https://www.ebi.ac.uk/chembl/assay_report_card/CHEMBL1021345/  target=_blank>CHEMBL1021345</a>";;;;;;;;;-5.57;;;;;;;;;;;;"Ueno H, Kawai M, Shimokawa H, Hirota M, Ohmi M, Sudo R, Ohta A, Arano Y, Hattori K, Ohmi T, Kato N, Kojima M, Ueno Y, Yamamoto M, Moriguchi Y, Eda H, Masubuchi K.: Synthesis and structure-activity relationships of oxamyl dipeptide caspase inhibitors developed for the treatment of liver disease. Bioorg Med Chem Lett, Volume 19 (1), 2009";ChEMBL
MM472974;MM472974;CC(NC(=O)C(=O)NCc1c(Cl)cccc1Cl)C(=O)NC(CC(=O)O)C(=O)COc1c(F)c(F)cc(F)c1F;OXXVIIFSOFDDMQ-VFZGTOFNSA-N;596.32;2.28;44570589;;;CHEMBL465449;GENER;EPAM;25;0;"<a href=https://www.ebi.ac.uk/chembl/assay_report_card/CHEMBL1021345/  target=_blank>CHEMBL1021345</a>";;;;;;;;;-5.34;;;;;;;;;;;;"Ueno H, Kawai M, Shimokawa H, Hirota M, Ohmi M, Sudo R, Ohta A, Arano Y, Hattori K, Ohmi T, Kato N, Kojima M, Ueno Y, Yamamoto M, Moriguchi Y, Eda H, Masubuchi K.: Synthesis and structure-activity relationships of oxamyl dipeptide caspase inhibitors developed for the treatment of liver disease. Bioorg Med Chem Lett, Volume 19 (1), 2009";ChEMBL
MM472975;MM472975;CC(NC(=O)C(=O)NCc1cc(Cl)cc(Cl)c1)C(=O)NC(CC(=O)O)C(=O)COc1c(F)c(F)cc(F)c1F;HOUYHRJRNPINGW-VFZGTOFNSA-N;596.32;2.28;44570590;;;CHEMBL465450;GENER;EPAM;25;0;"<a href=https://www.ebi.ac.uk/chembl/assay_report_card/CHEMBL1021345/  target=_blank>CHEMBL1021345</a>";;;;;;;;;-5.59;;;;;;;;;;;;"Ueno H, Kawai M, Shimokawa H, Hirota M, Ohmi M, Sudo R, Ohta A, Arano Y, Hattori K, Ohmi T, Kato N, Kojima M, Ueno Y, Yamamoto M, Moriguchi Y, Eda H, Masubuchi K.: Synthesis and structure-activity relationships of oxamyl dipeptide caspase inhibitors developed for the treatment of liver disease. Bioorg Med Chem Lett, Volume 19 (1), 2009";ChEMBL
MM472920;MM472920;Clc1ccccc1C1CCc2nc[nH]c2C1;QJISVABLQCOWQF-UHFFFAOYSA-N;232.71;3.34;44574874;;;CHEMBL465599;GENER;EPAM;25;0;"<a href=https://www.ebi.ac.uk/chembl/assay_report_card/CHEMBL1015850/  target=_blank>CHEMBL1015850</a>";;;;;;;;;-4.47;;;;;;;;;;;;"Whitlock GA, Brennan PE, Roberts LR, Stobie A.: Potent and selective alpha1A adrenoceptor partial agonists--novel imidazole frameworks. Bioorg Med Chem Lett, Volume 19 (11), 2009";ChEMBL
MM472963;MM472963;CC(NC(=O)C(=O)NCc1cccc(Cl)c1Cl)C(=O)NC(CC(=O)O)C(=O)COc1c(F)c(F)cc(F)c1F;TZXQGLNSFUEYKD-XPTSAGLGSA-N;596.32;2.28;44570541;;;CHEMBL465933;GENER;EPAM;25;0;"<a href=https://www.ebi.ac.uk/chembl/assay_report_card/CHEMBL1021345/  target=_blank>CHEMBL1021345</a>";;;;;;;;;-5.51;;;;;;;;;;;;"Ueno H, Kawai M, Shimokawa H, Hirota M, Ohmi M, Sudo R, Ohta A, Arano Y, Hattori K, Ohmi T, Kato N, Kojima M, Ueno Y, Yamamoto M, Moriguchi Y, Eda H, Masubuchi K.: Synthesis and structure-activity relationships of oxamyl dipeptide caspase inhibitors developed for the treatment of liver disease. Bioorg Med Chem Lett, Volume 19 (1), 2009";ChEMBL
MM472918;MM472918;c1ccc(C2CCc3nc[nH]c3C2)cc1;FNAMNTIDTBOHMV-UHFFFAOYSA-N;198.27;2.68;44593577;;;CHEMBL466296;GENER;EPAM;25;0;"<a href=https://www.ebi.ac.uk/chembl/assay_report_card/CHEMBL1015850/  target=_blank>CHEMBL1015850</a>";;;;;;;;;-4.33;;;;;;;;;;;;"Whitlock GA, Brennan PE, Roberts LR, Stobie A.: Potent and selective alpha1A adrenoceptor partial agonists--novel imidazole frameworks. Bioorg Med Chem Lett, Volume 19 (11), 2009";ChEMBL
MM472933;MM472933;Cc1cc(OCc2c(-c3c(Cl)cncc3Cl)noc2C(C)C)ccc1-c1ccc2c(C(=O)O)cn(C)c2c1;JTRRVYQZHXAOGI-UHFFFAOYSA-N;550.44;7.91;25220917;;;CHEMBL466323;GENER;EPAM;25;0;"<a href=https://www.ebi.ac.uk/chembl/assay_report_card/CHEMBL980678/  target=_blank>CHEMBL980678</a>";;;;;;;;;-6.72;;;;;;;;;;;;"Feng S, Yang M, Zhang Z, Wang Z, Hong D, Richter H, Benson GM, Bleicher K, Grether U, Martin RE, Plancher JM, Kuhn B, Rudolph MG, Chen L.: Identification of an N-oxide pyridine GW4064 analog as a potent FXR agonist. Bioorg Med Chem Lett, Volume 19 (9), 2009";ChEMBL
MM472979;MM472979;Cc1ccc(C)c(CCNC(=O)C(=O)NC(C)C(=O)NC(CC(=O)O)C(=O)COc2c(F)c(F)cc(F)c2F)c1;IRXSNMCFWBVFSF-KSSFIOAISA-N;569.51;1.63;44569932;;;CHEMBL466408;GENER;EPAM;25;0;"<a href=https://www.ebi.ac.uk/chembl/assay_report_card/CHEMBL1021345/  target=_blank>CHEMBL1021345</a>";;;;;;;;;-5.37;;;;;;;;;;;;"Ueno H, Kawai M, Shimokawa H, Hirota M, Ohmi M, Sudo R, Ohta A, Arano Y, Hattori K, Ohmi T, Kato N, Kojima M, Ueno Y, Yamamoto M, Moriguchi Y, Eda H, Masubuchi K.: Synthesis and structure-activity relationships of oxamyl dipeptide caspase inhibitors developed for the treatment of liver disease. Bioorg Med Chem Lett, Volume 19 (1), 2009";ChEMBL
MM472934;MM472934;Cc1cc(OCc2c(-c3c(Cl)c[n+]([O-])cc3Cl)noc2C(C)C)ccc1-c1ccc2c(C(=O)O)cn(C)c2c1;VRMXGSVXDWHDBL-UHFFFAOYSA-N;566.44;7.15;;;;;GENER;EPAM;25;+1,-1;"<a href=https://www.ebi.ac.uk/chembl/assay_report_card/CHEMBL980678/  target=_blank>CHEMBL980678</a>";;;;;;;;;-3.23;;;;;;;;;;;;"Feng S, Yang M, Zhang Z, Wang Z, Hong D, Richter H, Benson GM, Bleicher K, Grether U, Martin RE, Plancher JM, Kuhn B, Rudolph MG, Chen L.: Identification of an N-oxide pyridine GW4064 analog as a potent FXR agonist. Bioorg Med Chem Lett, Volume 19 (9), 2009";ChEMBL
MM472935;MM472935;COc1ccc(Cl)c(-c2noc(C(C)C)c2COc2ccc(-c3ccc4c(C(=O)O)cn(C)c4c3)c(C)c2)n1;LOUFJUUIECUECD-UHFFFAOYSA-N;546.02;7.27;44143580;;;CHEMBL466887;GENER;EPAM;25;0;"<a href=https://www.ebi.ac.uk/chembl/assay_report_card/CHEMBL980678/  target=_blank>CHEMBL980678</a>";;;;;;;;;-6.15;;;;;;;;;;;;"Feng S, Yang M, Zhang Z, Wang Z, Hong D, Richter H, Benson GM, Bleicher K, Grether U, Martin RE, Plancher JM, Kuhn B, Rudolph MG, Chen L.: Identification of an N-oxide pyridine GW4064 analog as a potent FXR agonist. Bioorg Med Chem Lett, Volume 19 (9), 2009";ChEMBL
MM473122;MM473122;Cc1nc(N)c2ncn(C3OC(CN(C)CC=CCN)C(O)C3O)c2n1;MTDBNJKMVASAKC-LNNUBQDUSA-N;363.42;-1.22;44574108;;;CHEMBL467047;GENER;EPAM;25;0;"<a href=https://www.ebi.ac.uk/chembl/assay_report_card/CHEMBL1653937/  target=_blank>CHEMBL1653937</a>";;;;;;;;;-6.66;;;;;;;;;;;;"Barker RH, Liu H, Hirth B, Celatka CA, Fitzpatrick R, Xiang Y, Willert EK, Phillips MA, Kaiser M, Bacchi CJ, Rodriguez A, Yarlett N, Klinger JD, Sybertz E.: Novel S-adenosylmethionine decarboxylase inhibitors for the treatment of human African trypanosomiasis. Antimicrob Agents Chemother, Volume 53 (5), 2009";ChEMBL
MM472939;MM472939;Cc1c(Nc2c(C#N)cncc2-c2ccc(OCCN3CCN(C)CC3)cc2)ccc2[nH]ccc12;LTGPAFCQBMWTBC-UHFFFAOYSA-N;466.59;4.78;24825721;;;CHEMBL467069;GENER;EPAM;25;0;"<a href=https://www.ebi.ac.uk/chembl/assay_report_card/CHEMBL1007491/  target=_blank>CHEMBL1007491</a>";;;;;;;;;-6.55;;;;;;;;;;;;"Boschelli DH, Wang D, Prashad AS, Subrath J, Wu B, Niu C, Lee J, Yang X, Brennan A, Chaudhary D.: Optimization of 5-phenyl-3-pyridinecarbonitriles as PKCtheta inhibitors. Bioorg Med Chem Lett, Volume 19 (13), 2009";ChEMBL
MM472924;MM472924;Clc1ccc(C2Cc3nccn3C2)cc1;NMYFTUWMFYFIEY-UHFFFAOYSA-N;218.69;2.88;44574936;;;CHEMBL467495;GENER;EPAM;25;0;"<a href=https://www.ebi.ac.uk/chembl/assay_report_card/CHEMBL1015850/  target=_blank>CHEMBL1015850</a>";;;;;;;;;-4.47;;;;;;;;;;;;"Whitlock GA, Brennan PE, Roberts LR, Stobie A.: Potent and selective alpha1A adrenoceptor partial agonists--novel imidazole frameworks. Bioorg Med Chem Lett, Volume 19 (11), 2009";ChEMBL
MM472925;MM472925;COc1ccccc1C1Cc2nccn2C1;JOZLKCRZSXEYJL-UHFFFAOYSA-N;214.27;2.23;44574937;;;CHEMBL467688;GENER;EPAM;25;0;"<a href=https://www.ebi.ac.uk/chembl/assay_report_card/CHEMBL1015850/  target=_blank>CHEMBL1015850</a>";;;;;;;;;-4.24;;;;;;;;;;;;"Whitlock GA, Brennan PE, Roberts LR, Stobie A.: Potent and selective alpha1A adrenoceptor partial agonists--novel imidazole frameworks. Bioorg Med Chem Lett, Volume 19 (11), 2009";ChEMBL
MM472928;MM472928;FC(F)Oc1ccccc1C1Cc2nccn2C1;DCZFXJLVCNQIPP-UHFFFAOYSA-N;250.25;2.82;44574987;;;CHEMBL467915;GENER;EPAM;25;0;"<a href=https://www.ebi.ac.uk/chembl/assay_report_card/CHEMBL1015850/  target=_blank>CHEMBL1015850</a>";;;;;;;;;-4.46;;;;;;;;;;;;"Whitlock GA, Brennan PE, Roberts LR, Stobie A.: Potent and selective alpha1A adrenoceptor partial agonists--novel imidazole frameworks. Bioorg Med Chem Lett, Volume 19 (11), 2009";ChEMBL
MM472929;MM472929;N#Cc1ccccc1C1Cc2nccn2C1;KMOFNRDXTFJLAO-UHFFFAOYSA-N;209.25;2.09;44219719;;;CHEMBL467916;GENER;EPAM;25;0;"<a href=https://www.ebi.ac.uk/chembl/assay_report_card/CHEMBL1015850/  target=_blank>CHEMBL1015850</a>";;;;;;;;;-4.64;;;;;;;;;;;;"Whitlock GA, Brennan PE, Roberts LR, Stobie A.: Potent and selective alpha1A adrenoceptor partial agonists--novel imidazole frameworks. Bioorg Med Chem Lett, Volume 19 (11), 2009";ChEMBL
MM473240;MM473240;COc1cc2oc(-c3ccc(OCC(=O)NCCCCCNc4c5c(nc6cc(Cl)ccc46)CCCC5)cc3)cc(=O)c2c(OC)c1OC;JMBDUGUBNUJHAR-UHFFFAOYSA-N;686.21;7.34;118730042;;;CHEMBL3403874;BBB;EPAM;25;0;"<a href=https://www.ebi.ac.uk/chembl/assay_report_card/CHEMBL3405472/  target=_blank>CHEMBL3405472</a>";;;;;;;;;-5.1;;;;;;;;;;;;"Liao S, Deng H, Huang S, Yang J, Wang S, Yin B, Zheng T, Zhang D, Liu J, Gao G, Ma J, Deng Z.: Design, synthesis and evaluation of novel 5,6,7-trimethoxyflavone-6-chlorotacrine hybrids as potential multifunctional agents for the treatment of Alzheimer's disease. Bioorg Med Chem Lett, Volume 25 (7), 2015";ChEMBL
MM473123;MM473123;CN(CC=CCN)CC1OC(n2cnc3c(N)nc(Cl)nc32)C(O)C1O;DVPZNDPOWUEVAP-UKSTWOGXSA-N;383.84;-0.87;25141896;;;CHEMBL468092;GENER;EPAM;25;0;"<a href=https://www.ebi.ac.uk/chembl/assay_report_card/CHEMBL1653937/  target=_blank>CHEMBL1653937</a>";;;;;;;;;-6.44;;;;;;;;;;;;"Barker RH, Liu H, Hirth B, Celatka CA, Fitzpatrick R, Xiang Y, Willert EK, Phillips MA, Kaiser M, Bacchi CJ, Rodriguez A, Yarlett N, Klinger JD, Sybertz E.: Novel S-adenosylmethionine decarboxylase inhibitors for the treatment of human African trypanosomiasis. Antimicrob Agents Chemother, Volume 53 (5), 2009";ChEMBL
MM474396;MM474396;CC(N)C(=O)NCc1cccc(-n2nc(C(F)(F)F)cc2-c2nnc(-c3cccc4ncsc34)o2)c1;KODBDIFHMBDFOH-LBPRGKRZSA-N;513.51;4.18;44219611;;;CHEMBL468927;GENER;EPAM;25;0;"<a href=https://www.ebi.ac.uk/chembl/assay_report_card/CHEMBL971421/  target=_blank>CHEMBL971421</a>";;;;;;;;;-4.57;;;;;;;;;;;;"Huynh T, Chen Z, Pang S, Geng J, Bandiera T, Bindi S, Vianello P, Roletto F, Thieffine S, Galvani A, Vaccaro W, Poss MA, Trainor GL, Lorenzi MV, Gottardis M, Jayaraman L, Purandare AV.: Optimization of pyrazole inhibitors of Coactivator Associated Arginine Methyltransferase 1 (CARM1). Bioorg Med Chem Lett, Volume 19 (11), 2009";ChEMBL
MM472932;MM472932;CC(C)c1onc(-c2c(Cl)cncc2Cl)c1COc1ccc(C=Cc2cccc(C(=O)O)c2)c(Cl)c1;CCOJMMHFLKMSGW-VOTSOKGWSA-N;543.83;8.27;44143575;;;CHEMBL469135;GENER;EPAM;25;0;"<a href=https://www.ebi.ac.uk/chembl/assay_report_card/CHEMBL980678/  target=_blank>CHEMBL980678</a>";;;;;;;;;-7.05;;;;;;;;;;;;"Feng S, Yang M, Zhang Z, Wang Z, Hong D, Richter H, Benson GM, Bleicher K, Grether U, Martin RE, Plancher JM, Kuhn B, Rudolph MG, Chen L.: Identification of an N-oxide pyridine GW4064 analog as a potent FXR agonist. Bioorg Med Chem Lett, Volume 19 (9), 2009";ChEMBL
MM474197;MM474197;Cc1c(C)c2c(c(C)c1O)CCC(C)(C(=O)NCCNc1c3c(nc4ccccc14)CCCC3)O2;GYSSCMBLUIEVHL-UHFFFAOYSA-N;473.62;5.06;;;;;BBB;EPAM;25;0;"<a href=https://www.ebi.ac.uk/chembl/assay_report_card/CHEMBL3635774/  target=_blank>CHEMBL3635774</a>";;;;;;;;;-5.36;;;;;;;;;;;;"Nepovimova E, Korabecny J, Dolezal R, Babkova K, Ondrejicek A, Jun D, Sepsova V, Horova A, Hrabinova M, Soukup O, Bukum N, Jost P, Muckova L, Kassa J, Malinak D, Andrs M, Kuca K.: Tacrine-Trolox Hybrids: A Novel Class of Centrally Active, Nonhepatotoxic Multi-Target-Directed Ligands Exerting Anticholinesterase and Antioxidant Activities with Low In Vivo Toxicity. J Med Chem, Volume 58 (22), 2015";ChEMBL
MM472976;MM472976;Cc1ccccc1CCNC(=O)C(=O)NC(C)C(=O)NC(CC(=O)O)C(=O)COc1c(F)c(F)cc(F)c1F;RNKVSYPRGAILIK-GUYCJALGSA-N;555.48;1.32;44570622;;;CHEMBL472828;GENER;EPAM;25;0;"<a href=https://www.ebi.ac.uk/chembl/assay_report_card/CHEMBL1021345/  target=_blank>CHEMBL1021345</a>";;;;;;;;;-5.8;;;;;;;;;;;;"Ueno H, Kawai M, Shimokawa H, Hirota M, Ohmi M, Sudo R, Ohta A, Arano Y, Hattori K, Ohmi T, Kato N, Kojima M, Ueno Y, Yamamoto M, Moriguchi Y, Eda H, Masubuchi K.: Synthesis and structure-activity relationships of oxamyl dipeptide caspase inhibitors developed for the treatment of liver disease. Bioorg Med Chem Lett, Volume 19 (1), 2009";ChEMBL
MM473241;MM473241;Cc1c(C)c2c(c(C)c1O)CCC(C)(C(=O)NCCCCCCNc1c3c(nc4ccccc14)CCCC3)O2;ATFSKIZVJOMGAR-UHFFFAOYSA-N;529.73;6.62;;;;;BBB;EPAM;25;0;"<a href=https://www.ebi.ac.uk/chembl/assay_report_card/CHEMBL3412995/  target=_blank>CHEMBL3412995</a>";;;;;;;;;-5.05;;;;;;;;;;;;"Xie SS, Lan JS, Wang XB, Jiang N, Dong G, Li ZR, Wang KD, Guo PP, Kong LY.: Multifunctional tacrine-trolox hybrids for the treatment of Alzheimer's disease with cholinergic, antioxidant, neuroprotective and hepatoprotective properties. Eur J Med Chem, Volume 93, 2015";ChEMBL
MM472977;MM472977;Cc1cccc(CCNC(=O)C(=O)NC(C)C(=O)NC(CC(=O)O)C(=O)COc2c(F)c(F)cc(F)c2F)c1;XVZQSTFHSSMRCP-GUYCJALGSA-N;555.48;1.32;44570623;;;CHEMBL473032;GENER;EPAM;25;0;"<a href=https://www.ebi.ac.uk/chembl/assay_report_card/CHEMBL1021345/  target=_blank>CHEMBL1021345</a>";;;;;;;;;-5.77;;;;;;;;;;;;"Ueno H, Kawai M, Shimokawa H, Hirota M, Ohmi M, Sudo R, Ohta A, Arano Y, Hattori K, Ohmi T, Kato N, Kojima M, Ueno Y, Yamamoto M, Moriguchi Y, Eda H, Masubuchi K.: Synthesis and structure-activity relationships of oxamyl dipeptide caspase inhibitors developed for the treatment of liver disease. Bioorg Med Chem Lett, Volume 19 (1), 2009";ChEMBL
MM471948;MM471948;O=C1/C(=C/c2ccc(OCCN3CCCCC3)cc2)Oc2cc(O)ccc21;JFLDOESXEQQPLB-STZFKDTASA-N;365.43;3.87;;;;;BBB;EPAM;25;0;"ph = 7.4, <a href=https://www.ebi.ac.uk/chembl/assay_report_card/CHEMBL3418416/  target=_blank>CHEMBL3418416</a>";;;;;;;;;-5;;;;;;;;;;;;"Liew KF, Chan KL, Lee CY.: Blood-brain barrier permeable anticholinesterase aurones: synthesis, structure-activity relationship, and drug-like properties. Eur J Med Chem, Volume 94, 2015";ChEMBL
MM471949;MM471949;"COc1ccc2c(c1)O/C(=C\c1ccc(OCCN3CCCC3)cc1)C2=O";FLVZBUFTVBOTPA-STZFKDTASA-N;365.43;3.79;;;;;BBB;EPAM;25;0;"ph = 7.4, <a href=https://www.ebi.ac.uk/chembl/assay_report_card/CHEMBL3418416/  target=_blank>CHEMBL3418416</a>";;;;;;;;;-4.61;;;;;;;;;;;;"Liew KF, Chan KL, Lee CY.: Blood-brain barrier permeable anticholinesterase aurones: synthesis, structure-activity relationship, and drug-like properties. Eur J Med Chem, Volume 94, 2015";ChEMBL
MM472978;MM472978;Cc1ccc(CCNC(=O)C(=O)NC(C)C(=O)NC(CC(=O)O)C(=O)COc2c(F)c(F)cc(F)c2F)c(C)c1;FIWUHSLZKDSRRX-KSSFIOAISA-N;569.51;1.63;44570624;;;CHEMBL473033;GENER;EPAM;25;0;"<a href=https://www.ebi.ac.uk/chembl/assay_report_card/CHEMBL1021345/  target=_blank>CHEMBL1021345</a>";;;;;;;;;-5.13;;;;;;;;;;;;"Ueno H, Kawai M, Shimokawa H, Hirota M, Ohmi M, Sudo R, Ohta A, Arano Y, Hattori K, Ohmi T, Kato N, Kojima M, Ueno Y, Yamamoto M, Moriguchi Y, Eda H, Masubuchi K.: Synthesis and structure-activity relationships of oxamyl dipeptide caspase inhibitors developed for the treatment of liver disease. Bioorg Med Chem Lett, Volume 19 (1), 2009";ChEMBL
MM472966;MM472966;Cc1ccc(CNC(=O)C(=O)NC(C)C(=O)NC(CC(=O)O)C(=O)COc2c(F)c(F)cc(F)c2F)c(C)c1;ZQBGZBYBWNWBDJ-GUYCJALGSA-N;555.48;1.59;44570508;;;CHEMBL474056;GENER;EPAM;25;0;"<a href=https://www.ebi.ac.uk/chembl/assay_report_card/CHEMBL1021345/  target=_blank>CHEMBL1021345</a>";;;;;;;;;-5.4;;;;;;;;;;;;"Ueno H, Kawai M, Shimokawa H, Hirota M, Ohmi M, Sudo R, Ohta A, Arano Y, Hattori K, Ohmi T, Kato N, Kojima M, Ueno Y, Yamamoto M, Moriguchi Y, Eda H, Masubuchi K.: Synthesis and structure-activity relationships of oxamyl dipeptide caspase inhibitors developed for the treatment of liver disease. Bioorg Med Chem Lett, Volume 19 (1), 2009";ChEMBL
MM471950;MM471950;"COc1ccc2c(c1)O/C(=C\c1ccc(OCCN3CCCCC3)cc1)C2=O";FTUBSYAHZIJVKZ-JCMHNJIXSA-N;379.46;4.18;;;;;BBB;EPAM;25;0;"ph = 7.4, <a href=https://www.ebi.ac.uk/chembl/assay_report_card/CHEMBL3418416/  target=_blank>CHEMBL3418416</a>";;;;;;;;;-4.7;;;;;;;;;;;;"Liew KF, Chan KL, Lee CY.: Blood-brain barrier permeable anticholinesterase aurones: synthesis, structure-activity relationship, and drug-like properties. Eur J Med Chem, Volume 94, 2015";ChEMBL
MM471951;MM471951;"COc1ccc(/C=C2\Oc3cc(OC)ccc3C2=O)cc1";LNLRZAXYLVIPKL-SXGWCWSVSA-N;282.3;3.32;;;;;BBB;EPAM;25;0;"ph = 7.4, <a href=https://www.ebi.ac.uk/chembl/assay_report_card/CHEMBL3418416/  target=_blank>CHEMBL3418416</a>";;;;;;;;;-5.01;;;;;;;;;;;;"Liew KF, Chan KL, Lee CY.: Blood-brain barrier permeable anticholinesterase aurones: synthesis, structure-activity relationship, and drug-like properties. Eur J Med Chem, Volume 94, 2015";ChEMBL
MM472930;MM472930;CC(C)CNc1nc(C#N)nc(N2CCNCC2)c1N;PCCGUZVUPBIHJH-UHFFFAOYSA-N;275.36;0.41;25256833;;;CHEMBL474484;GENER;EPAM;25;0;"<a href=https://www.ebi.ac.uk/chembl/assay_report_card/CHEMBL1021996/  target=_blank>CHEMBL1021996</a>";;;;;;;;;-5.7;;;;;;;;;;;;"Morley AD, Kenny PW, Burton B, Heald RA, Macfaul PA, Mullett J, Page K, Porres SS, Ribeiro LR, Smith P, Ward S, Wilkinson TJ.: 5-Aminopyrimidin-2-ylnitriles as cathepsin K inhibitors. Bioorg Med Chem Lett, Volume 19 (6), 2009";ChEMBL
MM471952;MM471952;"COc1ccc(/C=C2\Oc3cc(OCCN4CCCCC4)ccc3C2=O)cc1";YWHGWLVJNDHIIG-JCMHNJIXSA-N;379.46;4.18;;;;;BBB;EPAM;25;0;"ph = 7.4, <a href=https://www.ebi.ac.uk/chembl/assay_report_card/CHEMBL3418416/  target=_blank>CHEMBL3418416</a>";;;;;;;;;-4.7;;;;;;;;;;;;"Liew KF, Chan KL, Lee CY.: Blood-brain barrier permeable anticholinesterase aurones: synthesis, structure-activity relationship, and drug-like properties. Eur J Med Chem, Volume 94, 2015";ChEMBL
MM472970;MM472970;CC(NC(=O)C(=O)NCc1ccccc1F)C(=O)NC(CC(=O)O)C(=O)COc1c(F)c(F)cc(F)c1F;PTMBHNACBLDOOT-BONVTDFDSA-N;545.42;1.11;44570427;;;CHEMBL479621;GENER;EPAM;25;0;"<a href=https://www.ebi.ac.uk/chembl/assay_report_card/CHEMBL1021345/  target=_blank>CHEMBL1021345</a>";;;;;;;;;-6.52;;;;;;;;;;;;"Ueno H, Kawai M, Shimokawa H, Hirota M, Ohmi M, Sudo R, Ohta A, Arano Y, Hattori K, Ohmi T, Kato N, Kojima M, Ueno Y, Yamamoto M, Moriguchi Y, Eda H, Masubuchi K.: Synthesis and structure-activity relationships of oxamyl dipeptide caspase inhibitors developed for the treatment of liver disease. Bioorg Med Chem Lett, Volume 19 (1), 2009";ChEMBL
MM471953;MM471953;"COc1cc(/C=C2\Oc3cc(OCCN4CCCCC4)ccc3C2=O)cc(OC)c1OC";QMBDDIDQNMQRSU-BKUYFWCQSA-N;439.51;4.19;;;;;BBB;EPAM;25;0;"ph = 7.4, <a href=https://www.ebi.ac.uk/chembl/assay_report_card/CHEMBL3418416/  target=_blank>CHEMBL3418416</a>";;;;;;;;;-4.67;;;;;;;;;;;;"Liew KF, Chan KL, Lee CY.: Blood-brain barrier permeable anticholinesterase aurones: synthesis, structure-activity relationship, and drug-like properties. Eur J Med Chem, Volume 94, 2015";ChEMBL
MM472938;MM472938;COc1ccc(CN(C)C)c(-c2cc3c(Nc4ccc5[nH]ccc5c4C)c(C#N)cnc3s2)c1;ZZARJEJPLRJJQO-UHFFFAOYSA-N;467.6;6.44;44570884;;;CHEMBL479835;GENER;EPAM;25;0;"<a href=https://www.ebi.ac.uk/chembl/assay_report_card/CHEMBL991262/  target=_blank>CHEMBL991262</a>";;;;;;;;;-5.98;;;;;;;;;;;;"Wu B, Boschelli DH, Lee J, Yang X, Chaudhary D.: Second generation 4-(4-methyl-1H-indol-5-ylamino)-2-phenylthieno[2,3-b]pyridine-5-carbonitrile PKCtheta inhibitors. Bioorg Med Chem Lett, Volume 19 (3), 2009";ChEMBL
MM471954;MM471954;"CCN(CC)C(=O)Oc1ccc2c(c1)O/C(=C\c1ccc(OCCN3CCCCC3)cc1)C2=O";UZWFCWJJWBZPHJ-BWAHOGKJSA-N;464.56;5.01;;;;;BBB;EPAM;25;0;"ph = 7.4, <a href=https://www.ebi.ac.uk/chembl/assay_report_card/CHEMBL3418416/  target=_blank>CHEMBL3418416</a>";;;;;;;;;-4.79;;;;;;;;;;;;"Liew KF, Chan KL, Lee CY.: Blood-brain barrier permeable anticholinesterase aurones: synthesis, structure-activity relationship, and drug-like properties. Eur J Med Chem, Volume 94, 2015";ChEMBL
MM472972;MM472972;Cc1cccc(CNC(=O)C(=O)NC(C)C(=O)NC(CC(=O)O)C(=O)COc2c(F)c(F)cc(F)c2F)c1;QLZYBGAPTZHWPU-LRDDRELGSA-N;541.45;1.28;44570425;;;CHEMBL480401;GENER;EPAM;25;0;"<a href=https://www.ebi.ac.uk/chembl/assay_report_card/CHEMBL1021345/  target=_blank>CHEMBL1021345</a>";;;;;;;;;-5.92;;;;;;;;;;;;"Ueno H, Kawai M, Shimokawa H, Hirota M, Ohmi M, Sudo R, Ohta A, Arano Y, Hattori K, Ohmi T, Kato N, Kojima M, Ueno Y, Yamamoto M, Moriguchi Y, Eda H, Masubuchi K.: Synthesis and structure-activity relationships of oxamyl dipeptide caspase inhibitors developed for the treatment of liver disease. Bioorg Med Chem Lett, Volume 19 (1), 2009";ChEMBL
MM472971;MM472971;Cc1ccc(CNC(=O)C(=O)NC(C)C(=O)NC(CC(=O)O)C(=O)COc2c(F)c(F)cc(F)c2F)cc1;YWIHNJYCSCLNBC-LRDDRELGSA-N;541.45;1.28;44570426;;;CHEMBL480402;GENER;EPAM;25;0;"<a href=https://www.ebi.ac.uk/chembl/assay_report_card/CHEMBL1021345/  target=_blank>CHEMBL1021345</a>";;;;;;;;;-5.96;;;;;;;;;;;;"Ueno H, Kawai M, Shimokawa H, Hirota M, Ohmi M, Sudo R, Ohta A, Arano Y, Hattori K, Ohmi T, Kato N, Kojima M, Ueno Y, Yamamoto M, Moriguchi Y, Eda H, Masubuchi K.: Synthesis and structure-activity relationships of oxamyl dipeptide caspase inhibitors developed for the treatment of liver disease. Bioorg Med Chem Lett, Volume 19 (1), 2009";ChEMBL
MM471955;MM471955;"COc1ccc2c(c1)O/C(=C\c1ccc(OCCN3CCCCC3)c(Cl)c1)C2=O";HQJYIGWZKZCCJR-HMAPJEAMSA-N;413.9;4.83;;;;;BBB;EPAM;25;0;"ph = 7.4, <a href=https://www.ebi.ac.uk/chembl/assay_report_card/CHEMBL3418416/  target=_blank>CHEMBL3418416</a>";;;;;;;;;-4.91;;;;;;;;;;;;"Liew KF, Chan KL, Lee CY.: Blood-brain barrier permeable anticholinesterase aurones: synthesis, structure-activity relationship, and drug-like properties. Eur J Med Chem, Volume 94, 2015";ChEMBL
MM473262;MM473262;O=c1oc2cc(OCCN3CCN(CCCNc4c5c(nc6ccccc46)CCCC5)CC3)ccc2c2c1CCCC2;OSIQHLHPEJAMTO-UHFFFAOYSA-N;566.75;5.6;;;;;BBB;EPAM;25;0;"<a href=https://www.ebi.ac.uk/chembl/assay_report_card/CHEMBL3418563/  target=_blank>CHEMBL3418563</a>";;;;;;;;;-5.52;;;;;;;;;;;;"Xie SS, Wang X, Jiang N, Yu W, Wang KD, Lan JS, Li ZR, Kong LY.: Multi-target tacrine-coumarin hybrids: cholinesterase and monoamine oxidase B inhibition properties against Alzheimer's disease. Eur J Med Chem, Volume 95, 2015";ChEMBL
MM472973;MM472973;Cc1ccccc1CNC(=O)C(=O)NC(C)C(=O)NC(CC(=O)O)C(=O)COc1c(F)c(F)cc(F)c1F;TZZWQKUMLBKMAW-LRDDRELGSA-N;541.45;1.28;44570380;;;CHEMBL480989;GENER;EPAM;25;0;"<a href=https://www.ebi.ac.uk/chembl/assay_report_card/CHEMBL1021345/  target=_blank>CHEMBL1021345</a>";;;;;;;;;-5.89;;;;;;;;;;;;"Ueno H, Kawai M, Shimokawa H, Hirota M, Ohmi M, Sudo R, Ohta A, Arano Y, Hattori K, Ohmi T, Kato N, Kojima M, Ueno Y, Yamamoto M, Moriguchi Y, Eda H, Masubuchi K.: Synthesis and structure-activity relationships of oxamyl dipeptide caspase inhibitors developed for the treatment of liver disease. Bioorg Med Chem Lett, Volume 19 (1), 2009";ChEMBL
MM472969;MM472969;CC(NC(=O)C(=O)NCc1cccc(F)c1)C(=O)NC(CC(=O)O)C(=O)COc1c(F)c(F)cc(F)c1F;SEDSCLRDBPXFSO-BONVTDFDSA-N;545.42;1.11;44570465;;;CHEMBL481975;GENER;EPAM;25;0;"<a href=https://www.ebi.ac.uk/chembl/assay_report_card/CHEMBL1021345/  target=_blank>CHEMBL1021345</a>";;;;;;;;;-6.52;;;;;;;;;;;;"Ueno H, Kawai M, Shimokawa H, Hirota M, Ohmi M, Sudo R, Ohta A, Arano Y, Hattori K, Ohmi T, Kato N, Kojima M, Ueno Y, Yamamoto M, Moriguchi Y, Eda H, Masubuchi K.: Synthesis and structure-activity relationships of oxamyl dipeptide caspase inhibitors developed for the treatment of liver disease. Bioorg Med Chem Lett, Volume 19 (1), 2009";ChEMBL
MM473261;MM473261;Nc1cc(=O)oc2cc(OCCN3CCN(CCCNc4c5c(nc6ccccc46)CCCC5)CC3)ccc12;SDXXOBJFUGAGFS-UHFFFAOYSA-N;527.67;4.3;;;;;BBB;EPAM;25;0;"<a href=https://www.ebi.ac.uk/chembl/assay_report_card/CHEMBL3418563/  target=_blank>CHEMBL3418563</a>";;;;;;;;;-6.11;;;;;;;;;;;;"Xie SS, Wang X, Jiang N, Yu W, Wang KD, Lan JS, Li ZR, Kong LY.: Multi-target tacrine-coumarin hybrids: cholinesterase and monoamine oxidase B inhibition properties against Alzheimer's disease. Eur J Med Chem, Volume 95, 2015";ChEMBL
MM472968;MM472968;CC(NC(=O)C(=O)NCc1ccc(F)cc1)C(=O)NC(CC(=O)O)C(=O)COc1c(F)c(F)cc(F)c1F;CUUQUNCVQNLLLW-BONVTDFDSA-N;545.42;1.11;44570466;;;CHEMBL481976;GENER;EPAM;25;0;"<a href=https://www.ebi.ac.uk/chembl/assay_report_card/CHEMBL1021345/  target=_blank>CHEMBL1021345</a>";;;;;;;;;-6.4;;;;;;;;;;;;"Ueno H, Kawai M, Shimokawa H, Hirota M, Ohmi M, Sudo R, Ohta A, Arano Y, Hattori K, Ohmi T, Kato N, Kojima M, Ueno Y, Yamamoto M, Moriguchi Y, Eda H, Masubuchi K.: Synthesis and structure-activity relationships of oxamyl dipeptide caspase inhibitors developed for the treatment of liver disease. Bioorg Med Chem Lett, Volume 19 (1), 2009";ChEMBL
MM473260;MM473260;O=c1cc(-c2ccccc2)c2ccc(OCCN3CCN(CCCNc4c5c(nc6ccccc46)CCCC5)CC3)cc2o1;JEVDJCMWVBWXEC-UHFFFAOYSA-N;588.75;6.39;;;;;BBB;EPAM;25;0;"<a href=https://www.ebi.ac.uk/chembl/assay_report_card/CHEMBL3418563/  target=_blank>CHEMBL3418563</a>";;;;;;;;;-5.12;;;;;;;;;;;;"Xie SS, Wang X, Jiang N, Yu W, Wang KD, Lan JS, Li ZR, Kong LY.: Multi-target tacrine-coumarin hybrids: cholinesterase and monoamine oxidase B inhibition properties against Alzheimer's disease. Eur J Med Chem, Volume 95, 2015";ChEMBL
MM473259;MM473259;O=c1cc(C(F)(F)F)c2ccc(OCCN3CCN(CCCNc4c5c(nc6ccccc46)CCCC5)CC3)cc2o1;KSBYNLFEJIVFPB-UHFFFAOYSA-N;580.65;5.74;;;;;BBB;EPAM;25;0;"<a href=https://www.ebi.ac.uk/chembl/assay_report_card/CHEMBL3418563/  target=_blank>CHEMBL3418563</a>";;;;;;;;;-5.25;;;;;;;;;;;;"Xie SS, Wang X, Jiang N, Yu W, Wang KD, Lan JS, Li ZR, Kong LY.: Multi-target tacrine-coumarin hybrids: cholinesterase and monoamine oxidase B inhibition properties against Alzheimer's disease. Eur J Med Chem, Volume 95, 2015";ChEMBL
Codeine;MM00470;COc1ccc2c3c1O[C@H]1[C@@H](O)C=C[C@H]4[C@@H](C2)N(C)CC[C@]314;OROGSEYTTFOCAN-DNJOTXNNSA-N;299.37;1.5;5284371;DB00318;;CHEMBL485;GENER;EPAM;25;0;"<a href=https://www.ebi.ac.uk/chembl/assay_report_card/CHEMBL4323355/  target=_blank>CHEMBL4323355</a>";;;;;;;;;-5.1;;;;;;;;;;;;"Meyer MJ, Neumann VE, Friesacher HR, Zdrazil B, Brockmöller J, Tzvetkov MV.: Opioids as Substrates and Inhibitors of the Genetically Highly Variable Organic Cation Transporter OCT1. J Med Chem, Volume 62 (21), 2019";ChEMBL
MM474297;MM474297;Cc1ncc(-c2ccnc(Nc3ccc(S(C)(=O)=O)cc3)n2)n1C(C)C;WJRRGYBTGDJBFX-UHFFFAOYSA-N;371.47;3.38;16747683;;;CHEMBL488436;GENER;EPAM;25;0;"<a href=https://www.ebi.ac.uk/chembl/assay_report_card/CHEMBL4151788/  target=_blank>CHEMBL4151788</a>";;;;;;;;;-3.52;;;;;;;;;;;;"Hazlitt RA, Teitz T, Bonga JD, Fang J, Diao S, Iconaru L, Yang L, Goktug AN, Currier DG, Chen T, Rankovic Z, Min J, Zuo J.: Development of Second-Generation CDK2 Inhibitors for the Prevention of Cisplatin-Induced Hearing Loss. J Med Chem, Volume 61 (17), 2018";ChEMBL
MM473258;MM473258;CCOc1cc(=O)oc2cc(OCCN3CCN(CCCNc4c5c(nc6ccccc46)CCCC5)CC3)ccc12;FZVNQFHQTVISSR-UHFFFAOYSA-N;556.71;5.12;;;;;BBB;EPAM;25;0;"<a href=https://www.ebi.ac.uk/chembl/assay_report_card/CHEMBL3418563/  target=_blank>CHEMBL3418563</a>";;;;;;;;;-5.56;;;;;;;;;;;;"Xie SS, Wang X, Jiang N, Yu W, Wang KD, Lan JS, Li ZR, Kong LY.: Multi-target tacrine-coumarin hybrids: cholinesterase and monoamine oxidase B inhibition properties against Alzheimer's disease. Eur J Med Chem, Volume 95, 2015";ChEMBL
MM472954;MM472954;CCN1CCN(CCC=Cc2ccc3c(Nc4ccc(Sc5nccn5C)c(Cl)c4)c(C#N)cnc3c2)CC1;OYAMULIHRWEUAR-GQCTYLIASA-N;558.16;6.43;25211064;;;CHEMBL489058;GENER;EPAM;25;0;"<a href=https://www.ebi.ac.uk/chembl/assay_report_card/CHEMBL991687/  target=_blank>CHEMBL991687</a>";;;;;;;;;-6.35;;;;;;;;;;;;"Berger DM, Dutia M, Powell D, Floyd MB, Torres N, Mallon R, Wojciechowicz D, Kim S, Feldberg L, Collins K, Chaudhary I.: 4-Anilino-7-alkenylquinoline-3-carbonitriles as potent MEK1 kinase inhibitors. Bioorg Med Chem, Volume 16 (20), 2008";ChEMBL
MM473257;MM473257;COc1cc(=O)oc2cc(OCCN3CCN(CCCNc4c5c(nc6ccccc46)CCCC5)CC3)ccc12;BCVGDFVUHQSRKG-UHFFFAOYSA-N;542.68;4.73;;;;;BBB;EPAM;25;0;"<a href=https://www.ebi.ac.uk/chembl/assay_report_card/CHEMBL3418563/  target=_blank>CHEMBL3418563</a>";;;;;;;;;-5.71;;;;;;;;;;;;"Xie SS, Wang X, Jiang N, Yu W, Wang KD, Lan JS, Li ZR, Kong LY.: Multi-target tacrine-coumarin hybrids: cholinesterase and monoamine oxidase B inhibition properties against Alzheimer's disease. Eur J Med Chem, Volume 95, 2015";ChEMBL
MM473256;MM473256;Cc1c(Cl)c(=O)oc2cc(OCCN3CCN(CCCNc4c5c(nc6ccccc46)CCCC5)CC3)ccc12;GDFJHAWHVPWSSH-UHFFFAOYSA-N;561.13;5.68;;;;;BBB;EPAM;25;0;"<a href=https://www.ebi.ac.uk/chembl/assay_report_card/CHEMBL3418563/  target=_blank>CHEMBL3418563</a>";;;;;;;;;-5.27;;;;;;;;;;;;"Xie SS, Wang X, Jiang N, Yu W, Wang KD, Lan JS, Li ZR, Kong LY.: Multi-target tacrine-coumarin hybrids: cholinesterase and monoamine oxidase B inhibition properties against Alzheimer's disease. Eur J Med Chem, Volume 95, 2015";ChEMBL
MM472820;MM472820;Nc1ncnc2c1ncn2C1OC(COC(=O)c2ccc(S(=O)(=O)F)cc2)C(O)C1O;AQZGKOBMIMVGMG-XNIJJKJLSA-N;453.41;-0.46;133129;;;CHEMBL490985;GENER;EPAM;25;0;"<a href=https://www.ebi.ac.uk/chembl/assay_report_card/CHEMBL4182564/  target=_blank>CHEMBL4182564</a>";;;;;;;;;-7.2;;;;;;;;;;;;"Jiao GS, Kim S, Moayeri M, Thai A, Cregar-Hernandez L, McKasson L, O'Malley S, Leppla SH, Johnson AT.: Small molecule inhibitors of anthrax edema factor. Bioorg Med Chem Lett, Volume 28 (2), 2018";ChEMBL
MM473627;MM473627;O=C(c1cc(Cc2n[nH]c(=O)c3ccccc23)ccc1F)N1CCNCC1;MFFUYEOGICAKCK-UHFFFAOYSA-N;366.4;1.7;11726399;;;CHEMBL493045;GENER;EPAM;25;0;"<a href=https://www.ebi.ac.uk/chembl/assay_report_card/CHEMBL4312050/  target=_blank>CHEMBL4312050</a>";;;;;;;;;-7.09;;;;;;;;;;;;"Richardson PL, Marin VL, Koeniger SL, Baranczak A, Wilsbacher JL, Kovar PJ, Bacon-Trusk PE, Cheng M, Hopkins TA, Haman ST, Vasudevan A.: Controlling cellular distribution of drugs with permeability modifying moieties. Medchemcomm, Volume 10 (6), 2019";ChEMBL
MM473255;MM473255;Cc1c(C)c2ccc(OCCN3CCN(CCCNc4c5c(nc6ccccc46)CCCC5)CC3)cc2oc1=O;QXXGDBDNPIPTRF-UHFFFAOYSA-N;540.71;5.34;;;;;BBB;EPAM;25;0;"<a href=https://www.ebi.ac.uk/chembl/assay_report_card/CHEMBL3418563/  target=_blank>CHEMBL3418563</a>";;;;;;;;;-5.32;;;;;;;;;;;;"Xie SS, Wang X, Jiang N, Yu W, Wang KD, Lan JS, Li ZR, Kong LY.: Multi-target tacrine-coumarin hybrids: cholinesterase and monoamine oxidase B inhibition properties against Alzheimer's disease. Eur J Med Chem, Volume 95, 2015";ChEMBL
MM472951;MM472951;N#Cc1cnc2c(Cl)cc(NCc3cn(CC(=O)O)nn3)cc2c1Nc1ccc(F)c(Cl)c1;BFAVZGMITXUKBS-UHFFFAOYSA-N;486.29;4.58;44143349;;;CHEMBL495584;GENER;EPAM;25;0;"<a href=https://www.ebi.ac.uk/chembl/assay_report_card/CHEMBL1000660/  target=_blank>CHEMBL1000660</a>";;;;;;;;;-7.4;;;;;;;;;;;;"Wu J, Green N, Hotchandani R, Hu Y, Condon J, Huang A, Kaila N, Li HQ, Guler S, Li W, Tam SY, Wang Q, Pelker J, Marusic S, Hsu S, Perry Hall J, Telliez JB, Cui J, Lin LL.: Selective inhibitors of tumor progression loci-2 (Tpl2) kinase with potent inhibition of TNF-alpha production in human whole blood. Bioorg Med Chem Lett, Volume 19 (13), 2009";ChEMBL
MM473254;MM473254;Cc1cc2ccc(OCCN3CCN(CCCNc4c5c(nc6ccccc46)CCCC5)CC3)cc2oc1=O;LSWKLICEAUQVMA-UHFFFAOYSA-N;526.68;5.03;;;;;BBB;EPAM;25;0;"<a href=https://www.ebi.ac.uk/chembl/assay_report_card/CHEMBL3418563/  target=_blank>CHEMBL3418563</a>";;;;;;;;;-5.53;;;;;;;;;;;;"Xie SS, Wang X, Jiang N, Yu W, Wang KD, Lan JS, Li ZR, Kong LY.: Multi-target tacrine-coumarin hybrids: cholinesterase and monoamine oxidase B inhibition properties against Alzheimer's disease. Eur J Med Chem, Volume 95, 2015";ChEMBL
MM473253;MM473253;Cc1cc(=O)oc2cc(OCCN3CCN(CCCNc4c5c(nc6ccccc46)CCCC5)CC3)ccc12;SMGUTCNZXGIUCJ-UHFFFAOYSA-N;526.68;5.03;;;;;BBB;EPAM;25;0;"<a href=https://www.ebi.ac.uk/chembl/assay_report_card/CHEMBL3418563/  target=_blank>CHEMBL3418563</a>";;;;;;;;;-5.72;;;;;;;;;;;;"Xie SS, Wang X, Jiang N, Yu W, Wang KD, Lan JS, Li ZR, Kong LY.: Multi-target tacrine-coumarin hybrids: cholinesterase and monoamine oxidase B inhibition properties against Alzheimer's disease. Eur J Med Chem, Volume 95, 2015";ChEMBL
MM472943;MM472943;N#Cc1cnc2c(Cl)cc(NCc3cn(CCC4CCCN4)nn3)cc2c1Nc1ccc(F)c(Cl)c1;MNOSVXZMVQUZQR-UHFFFAOYSA-N;525.42;5.64;44143350;;;CHEMBL495585;GENER;EPAM;25;0;"<a href=https://www.ebi.ac.uk/chembl/assay_report_card/CHEMBL1000660/  target=_blank>CHEMBL1000660</a>";;;;;;;;;-6.24;;;;;;;;;;;;"Wu J, Green N, Hotchandani R, Hu Y, Condon J, Huang A, Kaila N, Li HQ, Guler S, Li W, Tam SY, Wang Q, Pelker J, Marusic S, Hsu S, Perry Hall J, Telliez JB, Cui J, Lin LL.: Selective inhibitors of tumor progression loci-2 (Tpl2) kinase with potent inhibition of TNF-alpha production in human whole blood. Bioorg Med Chem Lett, Volume 19 (13), 2009";ChEMBL
MM473252;MM473252;O=c1ccc2ccc(OCCCCCCN3CCN(CCCNc4c5c(nc6ccccc46)CCCC5)CC3)cc2o1;ORSILIXUUUCZAS-UHFFFAOYSA-N;568.76;6.28;;;;;BBB;EPAM;25;0;"<a href=https://www.ebi.ac.uk/chembl/assay_report_card/CHEMBL3418563/  target=_blank>CHEMBL3418563</a>";;;;;;;;;-5.47;;;;;;;;;;;;"Xie SS, Wang X, Jiang N, Yu W, Wang KD, Lan JS, Li ZR, Kong LY.: Multi-target tacrine-coumarin hybrids: cholinesterase and monoamine oxidase B inhibition properties against Alzheimer's disease. Eur J Med Chem, Volume 95, 2015";ChEMBL
MM472944;MM472944;CCCN1CCC(n2cc(CNc3cc(Cl)c4ncc(C#N)c(Nc5ccc(F)c(Cl)c5)c4c3)nn2)CC1;DATRTCJGCFQUHH-UHFFFAOYSA-N;553.47;6.55;44143371;;;CHEMBL495617;GENER;EPAM;25;0;"<a href=https://www.ebi.ac.uk/chembl/assay_report_card/CHEMBL1000660/  target=_blank>CHEMBL1000660</a>";;;;;;;;;-6.32;;;;;;;;;;;;"Wu J, Green N, Hotchandani R, Hu Y, Condon J, Huang A, Kaila N, Li HQ, Guler S, Li W, Tam SY, Wang Q, Pelker J, Marusic S, Hsu S, Perry Hall J, Telliez JB, Cui J, Lin LL.: Selective inhibitors of tumor progression loci-2 (Tpl2) kinase with potent inhibition of TNF-alpha production in human whole blood. Bioorg Med Chem Lett, Volume 19 (13), 2009";ChEMBL
MM473251;MM473251;O=c1ccc2ccc(OCCCCCN3CCN(CCCNc4c5c(nc6ccccc46)CCCC5)CC3)cc2o1;TWJIVHLWRFWASS-UHFFFAOYSA-N;554.74;5.89;;;;;BBB;EPAM;25;0;"<a href=https://www.ebi.ac.uk/chembl/assay_report_card/CHEMBL3418563/  target=_blank>CHEMBL3418563</a>";;;;;;;;;-5.63;;;;;;;;;;;;"Xie SS, Wang X, Jiang N, Yu W, Wang KD, Lan JS, Li ZR, Kong LY.: Multi-target tacrine-coumarin hybrids: cholinesterase and monoamine oxidase B inhibition properties against Alzheimer's disease. Eur J Med Chem, Volume 95, 2015";ChEMBL
MM472940;MM472940;N#Cc1cnc2c(Br)cc(NCc3cn(CC(=O)O)nn3)cc2c1Nc1ccc(F)c(Cl)c1;SHTIVTKXVWFHIV-UHFFFAOYSA-N;530.75;4.69;44143354;;;CHEMBL495867;GENER;EPAM;25;0;"<a href=https://www.ebi.ac.uk/chembl/assay_report_card/CHEMBL1000660/  target=_blank>CHEMBL1000660</a>";;;;;;;;;-5.74;;;;;;;;;;;;"Wu J, Green N, Hotchandani R, Hu Y, Condon J, Huang A, Kaila N, Li HQ, Guler S, Li W, Tam SY, Wang Q, Pelker J, Marusic S, Hsu S, Perry Hall J, Telliez JB, Cui J, Lin LL.: Selective inhibitors of tumor progression loci-2 (Tpl2) kinase with potent inhibition of TNF-alpha production in human whole blood. Bioorg Med Chem Lett, Volume 19 (13), 2009";ChEMBL
MM473250;MM473250;O=c1ccc2ccc(OCCCCN3CCN(CCCNc4c5c(nc6ccccc46)CCCC5)CC3)cc2o1;IWYTZZGVDJBXMG-UHFFFAOYSA-N;540.71;5.5;;;;;BBB;EPAM;25;0;"<a href=https://www.ebi.ac.uk/chembl/assay_report_card/CHEMBL3418563/  target=_blank>CHEMBL3418563</a>";;;;;;;;;-5.69;;;;;;;;;;;;"Xie SS, Wang X, Jiang N, Yu W, Wang KD, Lan JS, Li ZR, Kong LY.: Multi-target tacrine-coumarin hybrids: cholinesterase and monoamine oxidase B inhibition properties against Alzheimer's disease. Eur J Med Chem, Volume 95, 2015";ChEMBL
MM472900;MM472900;CC(=O)c1ccc(N2CCN(C(=O)c3cc(S(N)(=O)=O)ccc3N3CCOCC3)CC2)c(F)c1;RBFGIFBKMSGFGJ-UHFFFAOYSA-N;490.56;1.47;;;;;GENER;EPAM;25;0;"<a href=https://www.ebi.ac.uk/chembl/assay_report_card/CHEMBL1007116/  target=_blank>CHEMBL1007116</a>";;;;;;;;;-5.48;;;;;;;;;;;;"Pinard E, Alberati D, Borroni E, Fischer H, Hainzl D, Jolidon S, Moreau JL, Narquizian R, Nettekoven M, Norcross RD, Stalder H, Thomas AW.: Discovery of benzoylpiperazines as a novel class of potent and selective GlyT1 inhibitors. Bioorg Med Chem Lett, Volume 18 (18), 2008";ChEMBL
MM473249;MM473249;O=c1ccc2ccc(OCCCN3CCN(CCCNc4c5c(nc6ccccc46)CCCC5)CC3)cc2o1;OXKYZMPZZYQADV-UHFFFAOYSA-N;526.68;5.11;;;;;BBB;EPAM;25;0;"<a href=https://www.ebi.ac.uk/chembl/assay_report_card/CHEMBL3418563/  target=_blank>CHEMBL3418563</a>";;;;;;;;;-5.84;;;;;;;;;;;;"Xie SS, Wang X, Jiang N, Yu W, Wang KD, Lan JS, Li ZR, Kong LY.: Multi-target tacrine-coumarin hybrids: cholinesterase and monoamine oxidase B inhibition properties against Alzheimer's disease. Eur J Med Chem, Volume 95, 2015";ChEMBL
MM472950;MM472950;CC(C)(C)n1cc(CNc2cc(Cl)c3ncc(C#N)c(Nc4ccc(F)c(Cl)c4)c3c2)nn1;SRNSJXJGQHZBMC-UHFFFAOYSA-N;484.37;6.25;44143346;;;CHEMBL496590;GENER;EPAM;25;0;"<a href=https://www.ebi.ac.uk/chembl/assay_report_card/CHEMBL1000660/  target=_blank>CHEMBL1000660</a>";;;;;;;;;-7;;;;;;;;;;;;"Wu J, Green N, Hotchandani R, Hu Y, Condon J, Huang A, Kaila N, Li HQ, Guler S, Li W, Tam SY, Wang Q, Pelker J, Marusic S, Hsu S, Perry Hall J, Telliez JB, Cui J, Lin LL.: Selective inhibitors of tumor progression loci-2 (Tpl2) kinase with potent inhibition of TNF-alpha production in human whole blood. Bioorg Med Chem Lett, Volume 19 (13), 2009";ChEMBL
MM473248;MM473248;O=c1ccc2ccc(OCCN3CCN(CCCNc4c5c(nc6ccccc46)CCCC5)CC3)cc2o1;PIWUWOLYFQAYGB-UHFFFAOYSA-N;512.65;4.72;;;;;BBB;EPAM;25;0;"<a href=https://www.ebi.ac.uk/chembl/assay_report_card/CHEMBL3418563/  target=_blank>CHEMBL3418563</a>";;;;;;;;;-5.92;;;;;;;;;;;;"Xie SS, Wang X, Jiang N, Yu W, Wang KD, Lan JS, Li ZR, Kong LY.: Multi-target tacrine-coumarin hybrids: cholinesterase and monoamine oxidase B inhibition properties against Alzheimer's disease. Eur J Med Chem, Volume 95, 2015";ChEMBL
MM472903;MM472903;CC(=O)c1ccc(N2CCN(C(=O)c3cc(C#N)ccc3N3CCOCC3)CC2)c(F)c1;UIOCFWCJDKQTSI-UHFFFAOYSA-N;436.49;2.7;;;;;GENER;EPAM;25;0;"<a href=https://www.ebi.ac.uk/chembl/assay_report_card/CHEMBL1007116/  target=_blank>CHEMBL1007116</a>";;;;;;;;;-5.21;;;;;;;;;;;;"Pinard E, Alberati D, Borroni E, Fischer H, Hainzl D, Jolidon S, Moreau JL, Narquizian R, Nettekoven M, Norcross RD, Stalder H, Thomas AW.: Discovery of benzoylpiperazines as a novel class of potent and selective GlyT1 inhibitors. Bioorg Med Chem Lett, Volume 18 (18), 2008";ChEMBL
MM473247;MM473247;O=c1ccc2ccc(OCCCCCCN3CCN(CCNc4c5c(nc6ccccc46)CCCC5)CC3)cc2o1;HZLYSFRTSCJXAA-UHFFFAOYSA-N;554.74;5.89;;;;;BBB;EPAM;25;0;"<a href=https://www.ebi.ac.uk/chembl/assay_report_card/CHEMBL3418563/  target=_blank>CHEMBL3418563</a>";;;;;;;;;-5.16;;;;;;;;;;;;"Xie SS, Wang X, Jiang N, Yu W, Wang KD, Lan JS, Li ZR, Kong LY.: Multi-target tacrine-coumarin hybrids: cholinesterase and monoamine oxidase B inhibition properties against Alzheimer's disease. Eur J Med Chem, Volume 95, 2015";ChEMBL
MM472942;MM472942;N#Cc1cnc2c(Br)cc(NCc3cn(CCC4CCCN4)nn3)cc2c1Nc1ccc(F)c(Cl)c1;FIMFYDKNWOUFLC-UHFFFAOYSA-N;569.87;5.75;44143355;;;CHEMBL497883;GENER;EPAM;25;0;"<a href=https://www.ebi.ac.uk/chembl/assay_report_card/CHEMBL1000660/  target=_blank>CHEMBL1000660</a>";;;;;;;;;-6.14;;;;;;;;;;;;"Wu J, Green N, Hotchandani R, Hu Y, Condon J, Huang A, Kaila N, Li HQ, Guler S, Li W, Tam SY, Wang Q, Pelker J, Marusic S, Hsu S, Perry Hall J, Telliez JB, Cui J, Lin LL.: Selective inhibitors of tumor progression loci-2 (Tpl2) kinase with potent inhibition of TNF-alpha production in human whole blood. Bioorg Med Chem Lett, Volume 19 (13), 2009";ChEMBL
MM472902;MM472902;CNS(=O)(=O)c1ccc(N2CCOCC2)c(C(=O)N2CCN(c3ccc(C(C)=O)cc3F)CC2)c1;WIGSBOSBGAGALY-UHFFFAOYSA-N;504.58;1.74;;;;;GENER;EPAM;25;0;"<a href=https://www.ebi.ac.uk/chembl/assay_report_card/CHEMBL1007116/  target=_blank>CHEMBL1007116</a>";;;;;;;;;-5.28;;;;;;;;;;;;"Pinard E, Alberati D, Borroni E, Fischer H, Hainzl D, Jolidon S, Moreau JL, Narquizian R, Nettekoven M, Norcross RD, Stalder H, Thomas AW.: Discovery of benzoylpiperazines as a novel class of potent and selective GlyT1 inhibitors. Bioorg Med Chem Lett, Volume 18 (18), 2008";ChEMBL
MM473246;MM473246;O=c1ccc2ccc(OCCCCCN3CCN(CCNc4c5c(nc6ccccc46)CCCC5)CC3)cc2o1;CDBHIFNESFKIAT-UHFFFAOYSA-N;540.71;5.5;;;;;BBB;EPAM;25;0;"<a href=https://www.ebi.ac.uk/chembl/assay_report_card/CHEMBL3418563/  target=_blank>CHEMBL3418563</a>";;;;;;;;;-5.19;;;;;;;;;;;;"Xie SS, Wang X, Jiang N, Yu W, Wang KD, Lan JS, Li ZR, Kong LY.: Multi-target tacrine-coumarin hybrids: cholinesterase and monoamine oxidase B inhibition properties against Alzheimer's disease. Eur J Med Chem, Volume 95, 2015";ChEMBL
MM472904;MM472904;CS(=O)(=O)c1ccc(OCC2CC2)c(C(=O)N2CCN(c3ccc(C#N)cc3F)CC2)c1;IOSCQMWDOQVSFE-UHFFFAOYSA-N;457.53;2.85;;;;;GENER;EPAM;25;0;"<a href=https://www.ebi.ac.uk/chembl/assay_report_card/CHEMBL1007116/  target=_blank>CHEMBL1007116</a>";;;;;;;;;-5.49;;;;;;;;;;;;"Pinard E, Alberati D, Borroni E, Fischer H, Hainzl D, Jolidon S, Moreau JL, Narquizian R, Nettekoven M, Norcross RD, Stalder H, Thomas AW.: Discovery of benzoylpiperazines as a novel class of potent and selective GlyT1 inhibitors. Bioorg Med Chem Lett, Volume 18 (18), 2008";ChEMBL
MM473245;MM473245;O=c1ccc2ccc(OCCCCN3CCN(CCNc4c5c(nc6ccccc46)CCCC5)CC3)cc2o1;CSMTZEMMWNIZNM-UHFFFAOYSA-N;526.68;5.11;;;;;BBB;EPAM;25;0;"<a href=https://www.ebi.ac.uk/chembl/assay_report_card/CHEMBL3418563/  target=_blank>CHEMBL3418563</a>";;;;;;;;;-5.28;;;;;;;;;;;;"Xie SS, Wang X, Jiang N, Yu W, Wang KD, Lan JS, Li ZR, Kong LY.: Multi-target tacrine-coumarin hybrids: cholinesterase and monoamine oxidase B inhibition properties against Alzheimer's disease. Eur J Med Chem, Volume 95, 2015";ChEMBL
MM473244;MM473244;O=c1ccc2ccc(OCCCN3CCN(CCNc4c5c(nc6ccccc46)CCCC5)CC3)cc2o1;RUDSZRKFTPRYSM-UHFFFAOYSA-N;512.65;4.72;;;;;BBB;EPAM;25;0;"<a href=https://www.ebi.ac.uk/chembl/assay_report_card/CHEMBL3418563/  target=_blank>CHEMBL3418563</a>";;;;;;;;;-5.46;;;;;;;;;;;;"Xie SS, Wang X, Jiang N, Yu W, Wang KD, Lan JS, Li ZR, Kong LY.: Multi-target tacrine-coumarin hybrids: cholinesterase and monoamine oxidase B inhibition properties against Alzheimer's disease. Eur J Med Chem, Volume 95, 2015";ChEMBL
MM472952;MM472952;N#Cc1cnc2c(Cl)cc(NCc3cn(C4CCNCC4)nn3)cc2c1Nc1ccc(F)c(Cl)c1;YIFLRNURKJVDHB-UHFFFAOYSA-N;511.39;5.42;44143368;;;CHEMBL498028;GENER;EPAM;25;0;"<a href=https://www.ebi.ac.uk/chembl/assay_report_card/CHEMBL1000660/  target=_blank>CHEMBL1000660</a>";;;;;;;;;-7.52;;;;;;;;;;;;"Wu J, Green N, Hotchandani R, Hu Y, Condon J, Huang A, Kaila N, Li HQ, Guler S, Li W, Tam SY, Wang Q, Pelker J, Marusic S, Hsu S, Perry Hall J, Telliez JB, Cui J, Lin LL.: Selective inhibitors of tumor progression loci-2 (Tpl2) kinase with potent inhibition of TNF-alpha production in human whole blood. Bioorg Med Chem Lett, Volume 19 (13), 2009";ChEMBL
MM473243;MM473243;O=c1ccc2ccc(OCCN3CCN(CCNc4c5c(nc6ccccc46)CCCC5)CC3)cc2o1;UAPFPZISLYDWMP-UHFFFAOYSA-N;498.63;4.33;;;;;BBB;EPAM;25;0;"<a href=https://www.ebi.ac.uk/chembl/assay_report_card/CHEMBL3418563/  target=_blank>CHEMBL3418563</a>";;;;;;;;;-5.67;;;;;;;;;;;;"Xie SS, Wang X, Jiang N, Yu W, Wang KD, Lan JS, Li ZR, Kong LY.: Multi-target tacrine-coumarin hybrids: cholinesterase and monoamine oxidase B inhibition properties against Alzheimer's disease. Eur J Med Chem, Volume 95, 2015";ChEMBL
MM472946;MM472946;CN1CCC(n2cc(CNc3cc(Cl)c4ncc(C#N)c(Nc5ccc(F)c(Cl)c5)c4c3)nn2)CC1;ZLCJQOQCUYDZNR-UHFFFAOYSA-N;525.42;5.77;44143369;;;CHEMBL498029;GENER;EPAM;25;0;"<a href=https://www.ebi.ac.uk/chembl/assay_report_card/CHEMBL1000660/  target=_blank>CHEMBL1000660</a>";;;;;;;;;-6.41;;;;;;;;;;;;"Wu J, Green N, Hotchandani R, Hu Y, Condon J, Huang A, Kaila N, Li HQ, Guler S, Li W, Tam SY, Wang Q, Pelker J, Marusic S, Hsu S, Perry Hall J, Telliez JB, Cui J, Lin LL.: Selective inhibitors of tumor progression loci-2 (Tpl2) kinase with potent inhibition of TNF-alpha production in human whole blood. Bioorg Med Chem Lett, Volume 19 (13), 2009";ChEMBL
MM472948;MM472948;N#Cc1cnc2c(Cl)cc(NCc3cn(Cc4cccnc4)nn3)cc2c1Nc1ccc(F)c(Cl)c1;XWHXNBMNAZBIQQ-UHFFFAOYSA-N;519.37;5.94;44143351;;;CHEMBL498222;GENER;EPAM;25;0;"<a href=https://www.ebi.ac.uk/chembl/assay_report_card/CHEMBL1000660/  target=_blank>CHEMBL1000660</a>";;;;;;;;;-6.74;;;;;;;;;;;;"Wu J, Green N, Hotchandani R, Hu Y, Condon J, Huang A, Kaila N, Li HQ, Guler S, Li W, Tam SY, Wang Q, Pelker J, Marusic S, Hsu S, Perry Hall J, Telliez JB, Cui J, Lin LL.: Selective inhibitors of tumor progression loci-2 (Tpl2) kinase with potent inhibition of TNF-alpha production in human whole blood. Bioorg Med Chem Lett, Volume 19 (13), 2009";ChEMBL
Quercetin;MM00047;O=c1c(O)c(-c2ccc(O)c(O)c2)oc2cc(O)cc(O)c12;REFJWTPEDVJJIY-UHFFFAOYSA-N;302.24;1.99;5280343;DB04216;QUE;CHEMBL50;GENER;EPAM;25;0;"<a href=https://www.ebi.ac.uk/chembl/assay_report_card/CHEMBL2398996/  target=_blank>CHEMBL2398996</a>";;;;;;;;;-4.44;;;;;;;;;;;;"Cho SY, Kim MK, Park KS, Choo H, Chong Y.: Quercetin-POC conjugates: Differential stability and bioactivity profiles between breast cancer (MCF-7) and colorectal carcinoma (HCT116) cell lines. Bioorg Med Chem, Volume 21 (7), 2013";ChEMBL
Quercetin;MM00047;O=c1c(O)c(-c2ccc(O)c(O)c2)oc2cc(O)cc(O)c12;REFJWTPEDVJJIY-UHFFFAOYSA-N;302.24;1.99;5280343;DB04216;QUE;CHEMBL50;GENER;EPAM;25;0;"<a href=https://www.ebi.ac.uk/chembl/assay_report_card/CHEMBL2398998/  target=_blank>CHEMBL2398998</a>";;;;;;;;;-4.14;;;;;;;;;;;;"Cho SY, Kim MK, Park KS, Choo H, Chong Y.: Quercetin-POC conjugates: Differential stability and bioactivity profiles between breast cancer (MCF-7) and colorectal carcinoma (HCT116) cell lines. Bioorg Med Chem, Volume 21 (7), 2013";ChEMBL
MM472945;MM472945;N#Cc1cnc2c(Cl)cc(NCc3cn(C4CCN(C5CCC5)CC4)nn3)cc2c1Nc1ccc(F)c(Cl)c1;YGHNIYXOYMJYDH-UHFFFAOYSA-N;565.48;6.69;44143373;;;CHEMBL501709;GENER;EPAM;25;0;"<a href=https://www.ebi.ac.uk/chembl/assay_report_card/CHEMBL1000660/  target=_blank>CHEMBL1000660</a>";;;;;;;;;-6.37;;;;;;;;;;;;"Wu J, Green N, Hotchandani R, Hu Y, Condon J, Huang A, Kaila N, Li HQ, Guler S, Li W, Tam SY, Wang Q, Pelker J, Marusic S, Hsu S, Perry Hall J, Telliez JB, Cui J, Lin LL.: Selective inhibitors of tumor progression loci-2 (Tpl2) kinase with potent inhibition of TNF-alpha production in human whole blood. Bioorg Med Chem Lett, Volume 19 (13), 2009";ChEMBL
MM472927;MM472927;COc1ccc(C2Cc3nccn3C2)cc1;CQPRHMLRHXLMEL-UHFFFAOYSA-N;214.27;2.23;44574985;;;CHEMBL501920;GENER;EPAM;25;0;"<a href=https://www.ebi.ac.uk/chembl/assay_report_card/CHEMBL1015850/  target=_blank>CHEMBL1015850</a>";;;;;;;;;-4.24;;;;;;;;;;;;"Whitlock GA, Brennan PE, Roberts LR, Stobie A.: Potent and selective alpha1A adrenoceptor partial agonists--novel imidazole frameworks. Bioorg Med Chem Lett, Volume 19 (11), 2009";ChEMBL
MM472921;MM472921;Clc1cccc(C2CCc3nc[nH]c3C2)c1;SNFFBYPCULSUGT-UHFFFAOYSA-N;232.71;3.34;44574875;;;CHEMBL503269;GENER;EPAM;25;0;"<a href=https://www.ebi.ac.uk/chembl/assay_report_card/CHEMBL1015850/  target=_blank>CHEMBL1015850</a>";;;;;;;;;-4.41;;;;;;;;;;;;"Whitlock GA, Brennan PE, Roberts LR, Stobie A.: Potent and selective alpha1A adrenoceptor partial agonists--novel imidazole frameworks. Bioorg Med Chem Lett, Volume 19 (11), 2009";ChEMBL
MM472337;MM472337;O=C1CC2(CCN(C(=O)c3cc(-c4ccccc4)nc(-c4ccccc4)c3)CC2)Oc2ccc(N3CCCC3=O)cc21;JIJDLUKRJBEYMN-UHFFFAOYSA-N;557.65;6.18;25194951;;;CHEMBL503960;GENER;EPAM;25;0;"ph = 6.8, <a href=https://www.ebi.ac.uk/chembl/assay_report_card/CHEMBL942563/  target=_blank>CHEMBL942563</a>";;;;;;;;;-4.57;;;;;;;;;;;;"Shinde P, Srivastava SK, Odedara R, Tuli D, Munshi S, Patel J, Zambad SP, Sonawane R, Gupta RC, Chauthaiwale V, Dutt C.: Synthesis of spiro[chroman-2,4'-piperidin]-4-one derivatives as acetyl-CoA carboxylase inhibitors. Bioorg Med Chem Lett, Volume 19 (3), 2009";ChEMBL
MM472959;MM472959;COc1cc2c(c(OC)c1OC)-c1ccc(OC)c(=O)cc1[C@@H](NC(=O)CCC1=[N+]3C(=Cc4cccn4[B-]3(F)F)C=C1)CC2;XHCORESRDYROQN-VWLOTQADSA-N;603.43;4.73;;;;;GENER;EPAM;25;+1,-1;"<a href=https://www.ebi.ac.uk/chembl/assay_report_card/CHEMBL963000/  target=_blank>CHEMBL963000</a>";;;;;;;;;-3.97;;;;;;;;;;;;"Arnold LA, Ranaivo P, Guy RK.: Synthesis and characterization of BODIPY-labeled colchicine. Bioorg Med Chem Lett, Volume 18 (22), 2008";ChEMBL
MM473676;MM473676;CCC(C)C1NC(=O)C(Cc2ccc(O)cc2)N(C)C(=O)C(Cc2ccccc2)NC(=O)CN(C)C(=O)C2CCCN2C(=O)C(Cc2ccccc2)N(C)C(=O)C(CC(C)C)NC1=O;ZXPWAGZHBVVLJM-PPLXTMPISA-N;880.1;3.08;11542476;;;CHEMBL505624;GENER;EPAM;25;0;"<a href=https://www.ebi.ac.uk/chembl/assay_report_card/CHEMBL4328889/  target=_blank>CHEMBL4328889</a>";;;;;;;;;-5.92;;;;;;;;;;;;"Naylor MR, Ly AM, Handford MJ, Ramos DP, Pye CR, Furukawa A, Klein VG, Noland RP, Edmondson Q, Turmon AC, Hewitt WM, Schwochert J, Townsend CE, Kelly CN, Blanco MJ, Lokey RS.: Lipophilic Permeability Efficiency Reconciles the Opposing Roles of Lipophilicity in Membrane Permeability and Aqueous Solubility. J Med Chem, Volume 61 (24), 2018";ChEMBL
MM472937;MM472937;CCCCc1ccc(C(=O)NC2(C(=O)NC(Cc3ccccc3)C(=O)NCC3CCN(CC4CCOCC4)CC3)CCCC2)cc1;FNWMFLJWSOZBPX-UUWRZZSWSA-N;630.87;5.05;44577895;;;CHEMBL507077;GENER;EPAM;25;0;"<a href=https://www.ebi.ac.uk/chembl/assay_report_card/CHEMBL967980/  target=_blank>CHEMBL967980</a>";;;;;;;;;-5.8;;;;;;;;;;;;"Porcelloni M, D'Andrea P, Altamura M, Catalioto RM, Giuliani S, Meini S, Fattori D.: Cinnamic acids and mono-substituted benzoic acids as useful capping groups for the preparation of hNK2 receptor antagonists. Bioorg Med Chem Lett, Volume 18 (16), 2008";ChEMBL
MM471095;MM471095;Nc1ncnc2c1c(-c1ccccc1)nn2CC(Cl)c1ccccc1;CYWDPEUCBCKEAM-UHFFFAOYSA-N;349.83;4.06;121316014;;;CHEMBL3578212;BBB;EPAM;25;0;"<a href=https://www.ebi.ac.uk/chembl/assay_report_card/CHEMBL3580216/  target=_blank>CHEMBL3580216</a>";;;;;;;;;-4.89;;;;;;;;;;;;"Tintori C, La Sala G, Vignaroli G, Botta L, Fallacara AL, Falchi F, Radi M, Zamperini C, Dreassi E, Dello Iacono L, Orioli D, Biamonti G, Garbelli M, Lossani A, Gasparrini F, Tuccinardi T, Laurenzana I, Angelucci A, Maga G, Schenone S, Brullo C, Musumeci F, Desogus A, Crespan E, Botta M.: Studies on the ATP Binding Site of Fyn Kinase for the Identification of New Inhibitors and Their Evaluation as Potential Agents against Tauopathies and Tumors. J Med Chem, Volume 58 (11), 2015";ChEMBL
MM472398;MM472398;O=C(O)c1cc2sccc2[nH]1;PMHDSACGRKBACK-UHFFFAOYSA-N;167.19;1.93;4961254;;;CHEMBL507614;GENER;EPAM;25;0;"ph = 6.5, <a href=https://www.ebi.ac.uk/chembl/assay_report_card/CHEMBL2343134/  target=_blank>CHEMBL2343134</a>";;;;;;;;;-6.1;;;;;;;;;;;;"Hondo T, Warizaya M, Niimi T, Namatame I, Yamaguchi T, Nakanishi K, Hamajima T, Harada K, Sakashita H, Matsumoto Y, Orita M, Takeuchi M.: 4-Hydroxypyridazin-3(2H)-one derivatives as novel D-amino acid oxidase inhibitors. J Med Chem, Volume 56 (9), 2013";ChEMBL
MM472926;MM472926;COc1cccc(C2Cc3nccn3C2)c1;OZJCKBRXCUUNCT-UHFFFAOYSA-N;214.27;2.23;44574938;;;CHEMBL507755;GENER;EPAM;25;0;"<a href=https://www.ebi.ac.uk/chembl/assay_report_card/CHEMBL1015850/  target=_blank>CHEMBL1015850</a>";;;;;;;;;-4.33;;;;;;;;;;;;"Whitlock GA, Brennan PE, Roberts LR, Stobie A.: Potent and selective alpha1A adrenoceptor partial agonists--novel imidazole frameworks. Bioorg Med Chem Lett, Volume 19 (11), 2009";ChEMBL
MM471094;MM471094;Nc1ncnc2c1c(-c1ccc(F)cc1)nn2CC(Cl)c1ccccc1;DMATXWLHUWDWHH-UHFFFAOYSA-N;367.82;4.19;121316084;;;CHEMBL3578213;BBB;EPAM;25;0;"<a href=https://www.ebi.ac.uk/chembl/assay_report_card/CHEMBL3580216/  target=_blank>CHEMBL3580216</a>";;;;;;;;;-4.78;;;;;;;;;;;;"Tintori C, La Sala G, Vignaroli G, Botta L, Fallacara AL, Falchi F, Radi M, Zamperini C, Dreassi E, Dello Iacono L, Orioli D, Biamonti G, Garbelli M, Lossani A, Gasparrini F, Tuccinardi T, Laurenzana I, Angelucci A, Maga G, Schenone S, Brullo C, Musumeci F, Desogus A, Crespan E, Botta M.: Studies on the ATP Binding Site of Fyn Kinase for the Identification of New Inhibitors and Their Evaluation as Potential Agents against Tauopathies and Tumors. J Med Chem, Volume 58 (11), 2015";ChEMBL
MM474058;MM474058;COc1cccc(OC)c1-c1cc(C(=O)NC(CC(C)C)C(=O)O)nn1-c1ccnc2cc(Cl)ccc12;;522.99;4.99;44157038;;;CHEMBL508044;GENER;EPAM;25;0;"<a href=https://www.ebi.ac.uk/chembl/assay_report_card/CHEMBL3101938/  target=_blank>CHEMBL3101938</a>";;;;;;;;;-5.32;;;;;;;;;;;;"Hershberger PM, Hedrick MP, Peddibhotla S, Mangravita-Novo A, Gosalia P, Li Y, Gray W, Vicchiarelli M, Smith LH, Chung TD, Thomas JB, Caron MG, Pinkerton AB, Barak LS, Roth GP.: Imidazole-derived agonists for the neurotensin 1 receptor. Bioorg Med Chem Lett, Volume 24 (1), 2014";ChEMBL
MM474058;MM474058;COc1cccc(OC)c1-c1cc(C(=O)NC(CC(C)C)C(=O)O)nn1-c1ccnc2cc(Cl)ccc12;;522.99;4.99;44157038;;;CHEMBL508044;GENER;EPAM;25;0;"<a href=https://www.ebi.ac.uk/chembl/assay_report_card/CHEMBL3101942/  target=_blank>CHEMBL3101942</a>";;;;;;;;;-4.15;;;;;;;;;;;;"Hershberger PM, Hedrick MP, Peddibhotla S, Mangravita-Novo A, Gosalia P, Li Y, Gray W, Vicchiarelli M, Smith LH, Chung TD, Thomas JB, Caron MG, Pinkerton AB, Barak LS, Roth GP.: Imidazole-derived agonists for the neurotensin 1 receptor. Bioorg Med Chem Lett, Volume 24 (1), 2014";ChEMBL
MM471093;MM471093;Nc1ncnc2c1c(-c1ccc(Cl)cc1)nn2CC(Cl)c1ccccc1;VMTZCKPMAFGPEN-UHFFFAOYSA-N;384.27;4.71;121316062;;;CHEMBL3578214;BBB;EPAM;25;0;"<a href=https://www.ebi.ac.uk/chembl/assay_report_card/CHEMBL3580216/  target=_blank>CHEMBL3580216</a>";;;;;;;;;-5;;;;;;;;;;;;"Tintori C, La Sala G, Vignaroli G, Botta L, Fallacara AL, Falchi F, Radi M, Zamperini C, Dreassi E, Dello Iacono L, Orioli D, Biamonti G, Garbelli M, Lossani A, Gasparrini F, Tuccinardi T, Laurenzana I, Angelucci A, Maga G, Schenone S, Brullo C, Musumeci F, Desogus A, Crespan E, Botta M.: Studies on the ATP Binding Site of Fyn Kinase for the Identification of New Inhibitors and Their Evaluation as Potential Agents against Tauopathies and Tumors. J Med Chem, Volume 58 (11), 2015";ChEMBL
MM474058;MM474058;COc1cccc(OC)c1-c1cc(C(=O)NC(CC(C)C)C(=O)O)nn1-c1ccnc2cc(Cl)ccc12;;522.99;4.99;44157038;;;CHEMBL508044;GENER;EPAM;25;0;"<a href=https://www.ebi.ac.uk/chembl/assay_report_card/CHEMBL3101943/  target=_blank>CHEMBL3101943</a>";;;;;;;;;-3.14;;;;;;;;;;;;"Hershberger PM, Hedrick MP, Peddibhotla S, Mangravita-Novo A, Gosalia P, Li Y, Gray W, Vicchiarelli M, Smith LH, Chung TD, Thomas JB, Caron MG, Pinkerton AB, Barak LS, Roth GP.: Imidazole-derived agonists for the neurotensin 1 receptor. Bioorg Med Chem Lett, Volume 24 (1), 2014";ChEMBL
MM474058;MM474058;COc1cccc(OC)c1-c1cc(C(=O)NC(CC(C)C)C(=O)O)nn1-c1ccnc2cc(Cl)ccc12;;522.99;4.99;44157038;;;CHEMBL508044;GENER;EPAM;25;0;"<a href=https://www.ebi.ac.uk/chembl/assay_report_card/CHEMBL3101944/  target=_blank>CHEMBL3101944</a>";;;;;;;;;-2.9;;;;;;;;;;;;"Hershberger PM, Hedrick MP, Peddibhotla S, Mangravita-Novo A, Gosalia P, Li Y, Gray W, Vicchiarelli M, Smith LH, Chung TD, Thomas JB, Caron MG, Pinkerton AB, Barak LS, Roth GP.: Imidazole-derived agonists for the neurotensin 1 receptor. Bioorg Med Chem Lett, Volume 24 (1), 2014";ChEMBL
MM471092;MM471092;Cc1ccc(-c2nn(CC(Cl)c3ccccc3)c3ncnc(N)c23)cc1;QQYAHZXECNNZDC-UHFFFAOYSA-N;363.85;4.36;121316011;;;CHEMBL3578215;BBB;EPAM;25;0;"<a href=https://www.ebi.ac.uk/chembl/assay_report_card/CHEMBL3580216/  target=_blank>CHEMBL3580216</a>";;;;;;;;;-4.96;;;;;;;;;;;;"Tintori C, La Sala G, Vignaroli G, Botta L, Fallacara AL, Falchi F, Radi M, Zamperini C, Dreassi E, Dello Iacono L, Orioli D, Biamonti G, Garbelli M, Lossani A, Gasparrini F, Tuccinardi T, Laurenzana I, Angelucci A, Maga G, Schenone S, Brullo C, Musumeci F, Desogus A, Crespan E, Botta M.: Studies on the ATP Binding Site of Fyn Kinase for the Identification of New Inhibitors and Their Evaluation as Potential Agents against Tauopathies and Tumors. J Med Chem, Volume 58 (11), 2015";ChEMBL
MM474395;MM474395;CC(N)C(=O)NCc1cccc(-n2nc(C(F)(F)F)cc2-c2nnc(-c3ccccc3)o2)c1;KRZYPYCEMGWWDP-ZDUSSCGKSA-N;456.43;3.57;44574239;;;CHEMBL511550;GENER;EPAM;25;0;"<a href=https://www.ebi.ac.uk/chembl/assay_report_card/CHEMBL971421/  target=_blank>CHEMBL971421</a>";;;;;;;;;-4.97;;;;;;;;;;;;"Huynh T, Chen Z, Pang S, Geng J, Bandiera T, Bindi S, Vianello P, Roletto F, Thieffine S, Galvani A, Vaccaro W, Poss MA, Trainor GL, Lorenzi MV, Gottardis M, Jayaraman L, Purandare AV.: Optimization of pyrazole inhibitors of Coactivator Associated Arginine Methyltransferase 1 (CARM1). Bioorg Med Chem Lett, Volume 19 (11), 2009";ChEMBL
MM471029;MM471029;"CN/C(=C\[N+](=O)[O-])NCCSCc1ccc(CN(C)C)o1";VMXUWOKSQNHOCA-UKTHLTGXSA-N;314.41;1.46;;;;;GENER;EPAM;25;+1,-1;"ph = 5, <a href=https://www.ebi.ac.uk/chembl/assay_report_card/CHEMBL3873505/  target=_blank>CHEMBL3873505</a>";;;;;;;;;-7;;;;;;;;;;;;"Shchegol'kov EV, Shchur IV, Burgart YV, Saloutin VI, Trefilova AN, Ljushina GA, Solodnikov SY, Markova LN, Maslova VV, Krasnykh OP, Borisevich SS, Khursan SL.: Polyfluorinated salicylic acid derivatives as analogs of known drugs: Synthesis, molecular docking and biological evaluation. Bioorg Med Chem, Volume 25 (1), 2017";ChEMBL
MM471091;MM471091;COc1ccc(-c2nn(CC(Cl)c3ccccc3)c3ncnc(N)c23)cc1;LZFMMPRNKIQRAF-UHFFFAOYSA-N;379.85;4.06;121316093;;;CHEMBL3578216;BBB;EPAM;25;0;"<a href=https://www.ebi.ac.uk/chembl/assay_report_card/CHEMBL3580216/  target=_blank>CHEMBL3580216</a>";;;;;;;;;-4.76;;;;;;;;;;;;"Tintori C, La Sala G, Vignaroli G, Botta L, Fallacara AL, Falchi F, Radi M, Zamperini C, Dreassi E, Dello Iacono L, Orioli D, Biamonti G, Garbelli M, Lossani A, Gasparrini F, Tuccinardi T, Laurenzana I, Angelucci A, Maga G, Schenone S, Brullo C, Musumeci F, Desogus A, Crespan E, Botta M.: Studies on the ATP Binding Site of Fyn Kinase for the Identification of New Inhibitors and Their Evaluation as Potential Agents against Tauopathies and Tumors. J Med Chem, Volume 58 (11), 2015";ChEMBL
MM471029;MM471029;"CN/C(=C\[N+](=O)[O-])NCCSCc1ccc(CN(C)C)o1";VMXUWOKSQNHOCA-UKTHLTGXSA-N;314.41;1.46;;;;;GENER;EPAM;25;+1,-1;"ph = 6.2, <a href=https://www.ebi.ac.uk/chembl/assay_report_card/CHEMBL3873506/  target=_blank>CHEMBL3873506</a>";;;;;;;;;-6.7;;;;;;;;;;;;"Shchegol'kov EV, Shchur IV, Burgart YV, Saloutin VI, Trefilova AN, Ljushina GA, Solodnikov SY, Markova LN, Maslova VV, Krasnykh OP, Borisevich SS, Khursan SL.: Polyfluorinated salicylic acid derivatives as analogs of known drugs: Synthesis, molecular docking and biological evaluation. Bioorg Med Chem, Volume 25 (1), 2017";ChEMBL
MM471029;MM471029;"CN/C(=C\[N+](=O)[O-])NCCSCc1ccc(CN(C)C)o1";VMXUWOKSQNHOCA-UKTHLTGXSA-N;314.41;1.46;;;;;GENER;EPAM;25;+1,-1;"ph = 7.4, <a href=https://www.ebi.ac.uk/chembl/assay_report_card/CHEMBL3873507/  target=_blank>CHEMBL3873507</a>";;;;;;;;;-7;;;;;;;;;;;;"Shchegol'kov EV, Shchur IV, Burgart YV, Saloutin VI, Trefilova AN, Ljushina GA, Solodnikov SY, Markova LN, Maslova VV, Krasnykh OP, Borisevich SS, Khursan SL.: Polyfluorinated salicylic acid derivatives as analogs of known drugs: Synthesis, molecular docking and biological evaluation. Bioorg Med Chem, Volume 25 (1), 2017";ChEMBL
MM472967;MM472967;Cc1cccc(CNC(=O)C(=O)NC(C)C(=O)NC(CC(=O)O)C(=O)COc2c(F)c(F)cc(F)c2F)c1C;ULKKTMITCULOQW-GUYCJALGSA-N;555.48;1.59;44570467;;;CHEMBL515568;GENER;EPAM;25;0;"<a href=https://www.ebi.ac.uk/chembl/assay_report_card/CHEMBL1021345/  target=_blank>CHEMBL1021345</a>";;;;;;;;;-5.52;;;;;;;;;;;;"Ueno H, Kawai M, Shimokawa H, Hirota M, Ohmi M, Sudo R, Ohta A, Arano Y, Hattori K, Ohmi T, Kato N, Kojima M, Ueno Y, Yamamoto M, Moriguchi Y, Eda H, Masubuchi K.: Synthesis and structure-activity relationships of oxamyl dipeptide caspase inhibitors developed for the treatment of liver disease. Bioorg Med Chem Lett, Volume 19 (1), 2009";ChEMBL
MM472957;MM472957;CC(C)(C)c1ccc(-c2nc3c(N4CCN(Cc5c[nH]c(=O)[nH]c5=O)CC4)cccc3[nH]2)cc1;GCTTXJNUVGNBBQ-UHFFFAOYSA-N;458.57;3.23;44561397;;;CHEMBL516479;GENER;EPAM;25;0;"<a href=https://www.ebi.ac.uk/chembl/assay_report_card/CHEMBL963648/  target=_blank>CHEMBL963648</a>";;;;;;;;;-6.22;;;;;;;;;;;;"Pelletier JC, Chengalvala M, Cottom J, Feingold I, Garrick L, Green D, Hauze D, Huselton C, Jetter J, Kao W, Kopf GS, Lundquist JT, Mann C, Mehlmann J, Rogers J, Shanno L, Wrobel J.: 2-phenyl-4-piperazinylbenzimidazoles: orally active inhibitors of the gonadotropin releasing hormone (GnRH) receptor. Bioorg Med Chem, Volume 16 (13), 2008";ChEMBL
MM472961;MM472961;CC(NC(=O)C(=O)NCc1cc(Cl)ccc1Cl)C(=O)NC(CC(=O)O)C(=O)COc1c(F)c(F)cc(F)c1F;ZZSAMDYIJUUGQK-VFZGTOFNSA-N;596.32;2.28;44570543;;;CHEMBL518096;GENER;EPAM;25;0;"<a href=https://www.ebi.ac.uk/chembl/assay_report_card/CHEMBL1021345/  target=_blank>CHEMBL1021345</a>";;;;;;;;;-5.49;;;;;;;;;;;;"Ueno H, Kawai M, Shimokawa H, Hirota M, Ohmi M, Sudo R, Ohta A, Arano Y, Hattori K, Ohmi T, Kato N, Kojima M, Ueno Y, Yamamoto M, Moriguchi Y, Eda H, Masubuchi K.: Synthesis and structure-activity relationships of oxamyl dipeptide caspase inhibitors developed for the treatment of liver disease. Bioorg Med Chem Lett, Volume 19 (1), 2009";ChEMBL
MM473067;MM473067;CCn1cnc(CN2CCN(c3cccc4[nH]c(-c5ccc(C(C)(C)C)cc5)nc34)CC2)c1C;IDBJLYFVNIELJW-UHFFFAOYSA-N;456.64;5.37;24825725;;;CHEMBL521674;GENER;EPAM;25;0;"<a href=https://www.ebi.ac.uk/chembl/assay_report_card/CHEMBL1115141/  target=_blank>CHEMBL1115141</a>";;;;;;;;;-5.57;;;;;;;;;;;;"Vera MD, Lundquist JT, Chengalvala MV, Cottom JE, Feingold IB, Garrick LM, Green DM, Hauze DB, Mann CW, Mehlmann JF, Rogers JF, Shanno L, Wrobel JE, Pelletier JC.: Synthesis and biological evaluation of piperazinyl heterocyclic antagonists of the gonadotropin releasing hormone (GnRH) receptor. Bioorg Med Chem Lett, Volume 20 (8), 2010";ChEMBL
MM472739;MM472739;CC(=O)N1C2C=C(c3cnc(NCc4ccc5c(c4)OCC5)c(C(=O)NCC4COc5ccccc5O4)c3)CC1CC2;UZJCBPUZLIMFRR-VJGNERBWSA-N;566.66;4.37;122180026;;;CHEMBL3586032;BBB;EPAM;25;0;"<a href=https://www.ebi.ac.uk/chembl/assay_report_card/CHEMBL3588622/  target=_blank>CHEMBL3588622</a>";;;;;;;;;-7;;;;;;;;;;;;"Takahashi B, Funami H, Iwaki T, Maruoka H, Nagahira A, Koyama M, Kamiide Y, Matsuo T, Muto T, Annoura H.: 2-Aminoalkyl nicotinamide derivatives as pure inverse agonists of the ghrelin receptor. Bioorg Med Chem Lett, Volume 25 (13), 2015";ChEMBL
MM472941;MM472941;N#Cc1cnc2c(Br)cc(NCc3cn(-c4ccccc4)nn3)cc2c1Nc1ccc(F)c(Cl)c1;KWNJYWRZSXRMEA-UHFFFAOYSA-N;548.81;6.6;44143353;;;CHEMBL522217;GENER;EPAM;25;0;"<a href=https://www.ebi.ac.uk/chembl/assay_report_card/CHEMBL1000660/  target=_blank>CHEMBL1000660</a>";;;;;;;;;-5.92;;;;;;;;;;;;"Wu J, Green N, Hotchandani R, Hu Y, Condon J, Huang A, Kaila N, Li HQ, Guler S, Li W, Tam SY, Wang Q, Pelker J, Marusic S, Hsu S, Perry Hall J, Telliez JB, Cui J, Lin LL.: Selective inhibitors of tumor progression loci-2 (Tpl2) kinase with potent inhibition of TNF-alpha production in human whole blood. Bioorg Med Chem Lett, Volume 19 (13), 2009";ChEMBL
Dextromethorphan;MM00475;COc1ccc2c(c1)C13CCCCC1C(C2)N(C)CC3;MKXZASYAUGDDCJ-UHFFFAOYSA-N;271.4;3.38;5360696;DB00514;;CHEMBL52440;GENER;EPAM;25;0;"<a href=https://www.ebi.ac.uk/chembl/assay_report_card/CHEMBL4323355/  target=_blank>CHEMBL4323355</a>";;;;;;;;;-4.2;;;;;;;;;;;;"Meyer MJ, Neumann VE, Friesacher HR, Zdrazil B, Brockmöller J, Tzvetkov MV.: Opioids as Substrates and Inhibitors of the Genetically Highly Variable Organic Cation Transporter OCT1. J Med Chem, Volume 62 (21), 2019";ChEMBL
MM472949;MM472949;N#Cc1cnc2c(Br)cc(NCc3cn(Cc4cccnc4)nn3)cc2c1Nc1ccc(F)c(Cl)c1;NDZILMRCELWAKE-UHFFFAOYSA-N;563.82;6.05;44143356;;;CHEMBL524638;GENER;EPAM;25;0;"<a href=https://www.ebi.ac.uk/chembl/assay_report_card/CHEMBL1000660/  target=_blank>CHEMBL1000660</a>";;;;;;;;;-6.89;;;;;;;;;;;;"Wu J, Green N, Hotchandani R, Hu Y, Condon J, Huang A, Kaila N, Li HQ, Guler S, Li W, Tam SY, Wang Q, Pelker J, Marusic S, Hsu S, Perry Hall J, Telliez JB, Cui J, Lin LL.: Selective inhibitors of tumor progression loci-2 (Tpl2) kinase with potent inhibition of TNF-alpha production in human whole blood. Bioorg Med Chem Lett, Volume 19 (13), 2009";ChEMBL
MM472901;MM472901;CC(=O)c1ccc(N2CCN(C(=O)c3cc([N+](=O)[O-])ccc3N3CCOCC3)CC2)c(F)c1;NEFFMZJKQNSKMQ-UHFFFAOYSA-N;456.47;2.74;;;;;GENER;EPAM;25;+1,-1;"<a href=https://www.ebi.ac.uk/chembl/assay_report_card/CHEMBL1007116/  target=_blank>CHEMBL1007116</a>";;;;;;;;;-5.33;;;;;;;;;;;;"Pinard E, Alberati D, Borroni E, Fischer H, Hainzl D, Jolidon S, Moreau JL, Narquizian R, Nettekoven M, Norcross RD, Stalder H, Thomas AW.: Discovery of benzoylpiperazines as a novel class of potent and selective GlyT1 inhibitors. Bioorg Med Chem Lett, Volume 18 (18), 2008";ChEMBL
MM472899;MM472899;CC(=O)c1ccc(N2CCN(C(=O)c3cc(S(C)(=O)=O)ccc3N3CCOCC3)CC2)c(F)c1;TUPJMQWUSDJIDL-UHFFFAOYSA-N;489.57;2.23;;;;;GENER;EPAM;25;0;"<a href=https://www.ebi.ac.uk/chembl/assay_report_card/CHEMBL1007116/  target=_blank>CHEMBL1007116</a>";;;;;;;;;-5.51;;;;;;;;;;;;"Pinard E, Alberati D, Borroni E, Fischer H, Hainzl D, Jolidon S, Moreau JL, Narquizian R, Nettekoven M, Norcross RD, Stalder H, Thomas AW.: Discovery of benzoylpiperazines as a novel class of potent and selective GlyT1 inhibitors. Bioorg Med Chem Lett, Volume 18 (18), 2008";ChEMBL
MM472947;MM472947;CCN1CCC(n2cc(CNc3cc(Cl)c4ncc(C#N)c(Nc5ccc(F)c(Cl)c5)c4c3)nn2)CC1;PHNZIIMWDVXPGG-UHFFFAOYSA-N;539.45;6.16;44143370;;;CHEMBL527026;GENER;EPAM;25;0;"<a href=https://www.ebi.ac.uk/chembl/assay_report_card/CHEMBL1000660/  target=_blank>CHEMBL1000660</a>";;;;;;;;;-6.44;;;;;;;;;;;;"Wu J, Green N, Hotchandani R, Hu Y, Condon J, Huang A, Kaila N, Li HQ, Guler S, Li W, Tam SY, Wang Q, Pelker J, Marusic S, Hsu S, Perry Hall J, Telliez JB, Cui J, Lin LL.: Selective inhibitors of tumor progression loci-2 (Tpl2) kinase with potent inhibition of TNF-alpha production in human whole blood. Bioorg Med Chem Lett, Volume 19 (13), 2009";ChEMBL
MM471520;MM471520;CCCCCCCc1c(C)[nH]c2cc(OC)ccc2c1=O;;287.4;4.77;100474;;;CHEMBL527822;GENER;EPAM;25;0;"ph = 4, <a href=https://www.ebi.ac.uk/chembl/assay_report_card/CHEMBL1261031/  target=_blank>CHEMBL1261031</a>";;;;;;;;;-2.99;;;;;;;;;;;;"Cross RM, Monastyrskyi A, Mutka TS, Burrows JN, Kyle DE, Manetsch R.: Endochin optimization: structure-activity and structure-property relationship studies of 3-substituted 2-methyl-4(1H)-quinolones with antimalarial activity. J Med Chem, Volume 53 (19), 2010";ChEMBL
MM474177;MM474177;Cc1ccnc(Nc2nc(-c3cn[nH]c3)c(C)s2)n1;MIQNXKWDQRNHAU-UHFFFAOYSA-N;272.34;2.68;46836872;;;CHEMBL3609729;BBB;EPAM;25;0;"<a href=https://www.ebi.ac.uk/chembl/assay_report_card/CHEMBL3610664/  target=_blank>CHEMBL3610664</a>";;;;;;;;;-3.59;;;;;;;;;;;;"Zhang Z, Kil KE, Poutiainen P, Choi JK, Kang HJ, Huang XP, Roth BL, Brownell AL.: Re-exploring the N-phenylpicolinamide derivatives to develop mGlu4 ligands with improved affinity and in vitro microsomal stability. Bioorg Med Chem Lett, Volume 25 (18), 2015";ChEMBL
MM471520;MM471520;CCCCCCCc1c(C)[nH]c2cc(OC)ccc2c1=O;;287.4;4.77;100474;;;CHEMBL527822;GENER;EPAM;25;0;"ph = 7.4, <a href=https://www.ebi.ac.uk/chembl/assay_report_card/CHEMBL1261030/  target=_blank>CHEMBL1261030</a>";;;;;;;;;-3.17;;;;;;;;;;;;"Cross RM, Monastyrskyi A, Mutka TS, Burrows JN, Kyle DE, Manetsch R.: Endochin optimization: structure-activity and structure-property relationship studies of 3-substituted 2-methyl-4(1H)-quinolones with antimalarial activity. J Med Chem, Volume 53 (19), 2010";ChEMBL
MM474178;MM474178;O=C(Nc1ccc(Cl)c(OCF)c1)c1ccccn1;SRGKMBLOTCYGBS-UHFFFAOYSA-N;280.69;3.29;;;;;BBB;EPAM;25;0;"<a href=https://www.ebi.ac.uk/chembl/assay_report_card/CHEMBL3610664/  target=_blank>CHEMBL3610664</a>";;;;;;;;;-3.57;;;;;;;;;;;;"Zhang Z, Kil KE, Poutiainen P, Choi JK, Kang HJ, Huang XP, Roth BL, Brownell AL.: Re-exploring the N-phenylpicolinamide derivatives to develop mGlu4 ligands with improved affinity and in vitro microsomal stability. Bioorg Med Chem Lett, Volume 25 (18), 2015";ChEMBL
MM471890;MM471890;O=c1[nH]c2cc(Br)ccc2c2nc(-c3ccccc3Cl)[nH]c12;;374.63;4.49;56834936;;;CHEMBL1934810;GENER;EPAM;25;0;"ph = 7.4, <a href=https://www.ebi.ac.uk/chembl/assay_report_card/CHEMBL2389921/  target=_blank>CHEMBL2389921</a>";;;;;;;;;-4.59;;;;;;;;;;;;"Shiro T, Kakiguchi K, Takahashi H, Nagata H, Tobe M.: 7-Phenyl-imidazoquinolin-4(5H)-one derivatives as selective and orally available mPGES-1 inhibitors. Bioorg Med Chem, Volume 21 (11), 2013";ChEMBL
MM472367;MM472367;CC1(C)S[C@@H]2[C@H](/N=C/N3CCCCCC3)C(=O)N2[C@H]1C(=O)O;BWWVAEOLVKTZFQ-ISVUSNJMSA-N;325.43;1.41;;;;;GENER;EPAM;25;0;"ph = 6.5, <a href=https://www.ebi.ac.uk/chembl/assay_report_card/CHEMBL1046150/  target=_blank>CHEMBL1046150</a>";;;;;;;;;-6.05;;;;;;;;;;;;"Tam KY, Avdeef A, Tsinman O, Sun N.: The permeation of amphoteric drugs through artificial membranes--an in combo absorption model based on paracellular and transmembrane permeability. J Med Chem, Volume 53 (1), 392-401, 2010";ChEMBL
MM474185;MM474185;O=C(Nc1ccccn1)c1ccc2c(C(=O)O)ccc(O)c2n1;KWECDLRNPWIXNI-UHFFFAOYSA-N;309.28;2.29;;;;;BBB;EPAM;25;0;"<a href=https://www.ebi.ac.uk/chembl/assay_report_card/CHEMBL3637355/  target=_blank>CHEMBL3637355</a>";;;;;;;;;-5.54;;;;;;;;;;;;"Feng T, Li D, Wang H, Zhuang J, Liu F, Bao Q, Lei Y, Chen W, Zhang X, Xu X, Sun H, You Q, Guo X.: Novel 5-carboxy-8-HQ based histone demethylase JMJD2A inhibitors: introduction of an additional carboxyl group at the C-2 position of quinoline. Eur J Med Chem, Volume 105, 2015";ChEMBL
Benzene-1,4-diol;MM00951;Oc1ccc(O)cc1;QIGBRXMKCJKVMJ-UHFFFAOYSA-N;110.11;1.1;785;DB09526;HQE;CHEMBL537;GENER;EPAM;25;0;"<a href=https://www.ebi.ac.uk/chembl/assay_report_card/CHEMBL905612/  target=_blank>CHEMBL905612</a>";;;;;;;;;-5.14;;;;;;;;;;;;"Fujikawa M, Nakao K, Shimizu R, Akamatsu M.: QSAR study on permeability of hydrophobic compounds with artificial membranes. Bioorg Med Chem, Volume 15 (11), 3756-3767, 2007";ChEMBL
MM474186;MM474186;CN(C)C(=O)c1ccc2c(C(=O)O)ccc(O)c2n1;RTCKZHLVNQLLSJ-UHFFFAOYSA-N;260.25;1.34;;;;;BBB;EPAM;25;0;"<a href=https://www.ebi.ac.uk/chembl/assay_report_card/CHEMBL3637355/  target=_blank>CHEMBL3637355</a>";;;;;;;;;-5.52;;;;;;;;;;;;"Feng T, Li D, Wang H, Zhuang J, Liu F, Bao Q, Lei Y, Chen W, Zhang X, Xu X, Sun H, You Q, Guo X.: Novel 5-carboxy-8-HQ based histone demethylase JMJD2A inhibitors: introduction of an additional carboxyl group at the C-2 position of quinoline. Eur J Med Chem, Volume 105, 2015";ChEMBL
MM474187;MM474187;Cc1ccccc1NC(=O)c1ccc2c(C(=O)O)ccc(O)c2n1;QXFOWWOUEVOISF-UHFFFAOYSA-N;322.32;3.2;;;;;BBB;EPAM;25;0;"<a href=https://www.ebi.ac.uk/chembl/assay_report_card/CHEMBL3637355/  target=_blank>CHEMBL3637355</a>";;;;;;;;;-5.41;;;;;;;;;;;;"Feng T, Li D, Wang H, Zhuang J, Liu F, Bao Q, Lei Y, Chen W, Zhang X, Xu X, Sun H, You Q, Guo X.: Novel 5-carboxy-8-HQ based histone demethylase JMJD2A inhibitors: introduction of an additional carboxyl group at the C-2 position of quinoline. Eur J Med Chem, Volume 105, 2015";ChEMBL
MM472991;MM472991;CSc1ccc2c(=O)n(C(c3ccccc3)c3ccccc3)c(=O)n(CC=CCOc3ccc(C(=O)O)cc3)c2c1;PEDRGXMPMZOSLJ-CMDGGOBGSA-N;564.66;5.86;45271743;;;CHEMBL538432;GENER;EPAM;25;0;"<a href=https://www.ebi.ac.uk/chembl/assay_report_card/CHEMBL1059836/  target=_blank>CHEMBL1059836</a>";;;;;;;;;-5.35;;;;;;;;;;;;"Kirincich SJ, Xiang J, Green N, Tam S, Yang HY, Shim J, Shen MW, Clark JD, McKew JC.: Benzhydrylquinazolinediones: novel cytosolic phospholipase A2alpha inhibitors with improved physicochemical properties. Bioorg Med Chem, Volume 17 (13), 2009";ChEMBL
MM471493;MM471493;CCOCCOc1ccc(C(=O)CCN(C)C)cc1;YVMIKURCTBEMCU-UHFFFAOYSA-N;265.35;2.24;44186301;;;CHEMBL539139;GENER;EPAM;25;0;"ph = 7.4, <a href=https://www.ebi.ac.uk/chembl/assay_report_card/CHEMBL1034536/  target=_blank>CHEMBL1034536</a>";;;;;;;;;-3.8;;;;;;;;;;;;"Hwang JY, Arnold LA, Zhu F, Kosinski A, Mangano TJ, Setola V, Roth BL, Guy RK.: Improvement of pharmacological properties of irreversible thyroid receptor coactivator binding inhibitors. J Med Chem, Volume 52 (13), 2009";ChEMBL
MM474188;MM474188;O=C(Nc1nc2ccccc2[nH]1)c1ccc2c(C(=O)O)ccc(O)c2n1;RKWHBQTUWVMODN-UHFFFAOYSA-N;348.32;2.77;;;;;BBB;EPAM;25;0;"<a href=https://www.ebi.ac.uk/chembl/assay_report_card/CHEMBL3637355/  target=_blank>CHEMBL3637355</a>";;;;;;;;;-5.17;;;;;;;;;;;;"Feng T, Li D, Wang H, Zhuang J, Liu F, Bao Q, Lei Y, Chen W, Zhang X, Xu X, Sun H, You Q, Guo X.: Novel 5-carboxy-8-HQ based histone demethylase JMJD2A inhibitors: introduction of an additional carboxyl group at the C-2 position of quinoline. Eur J Med Chem, Volume 105, 2015";ChEMBL
Haloperidol;MM00499;O=C(CCCN1CCC(O)(c2ccc(Cl)cc2)CC1)c1ccc(F)cc1;LNEPOXFFQSENCJ-UHFFFAOYSA-N;375.87;4.43;3559;DB00502;;CHEMBL54;GENER;EPAM;25;0;"ph = 7.4, <a href=https://www.ebi.ac.uk/chembl/assay_report_card/CHEMBL3532288/  target=_blank>CHEMBL3532288</a>";;;;;;;;;-4.47;;;;;;;;;;;;"Nishimuta H, Nakagawa T, Nomura N, Yabuki M.: Significance of reductive metabolism in human intestine and quantitative prediction of intestinal first-pass metabolism by cytosolic reductive enzymes. Drug Metab Dispos, Volume 41 (5), 2013";ChEMBL
MM474189;MM474189;O=C(NCCc1c[nH]c2ccccc12)c1ccc2c(C(=O)O)ccc(O)c2n1;DDWKDMPRLULLKO-UHFFFAOYSA-N;375.38;3.09;;;;;BBB;EPAM;25;0;"<a href=https://www.ebi.ac.uk/chembl/assay_report_card/CHEMBL3637355/  target=_blank>CHEMBL3637355</a>";;;;;;;;;-5.44;;;;;;;;;;;;"Feng T, Li D, Wang H, Zhuang J, Liu F, Bao Q, Lei Y, Chen W, Zhang X, Xu X, Sun H, You Q, Guo X.: Novel 5-carboxy-8-HQ based histone demethylase JMJD2A inhibitors: introduction of an additional carboxyl group at the C-2 position of quinoline. Eur J Med Chem, Volume 105, 2015";ChEMBL
MM471479;MM471479;CCCCCCOc1ccc(C(=O)CCNc2cccc(Cl)c2)cc1;KNPWKYPFGSHIOM-UHFFFAOYSA-N;359.9;5.98;44186299;;;CHEMBL540227;GENER;EPAM;25;0;"ph = 7.4, <a href=https://www.ebi.ac.uk/chembl/assay_report_card/CHEMBL1034536/  target=_blank>CHEMBL1034536</a>";;;;;;;;;-5.7;;;;;;;;;;;;"Hwang JY, Arnold LA, Zhu F, Kosinski A, Mangano TJ, Setola V, Roth BL, Guy RK.: Improvement of pharmacological properties of irreversible thyroid receptor coactivator binding inhibitors. J Med Chem, Volume 52 (13), 2009";ChEMBL
MM474190;MM474190;CCN(CC)C(=O)c1ccc2c(C(=O)O)ccc(O)c2n1;PCFYPROHAZLTDW-UHFFFAOYSA-N;288.3;2.12;;;;;BBB;EPAM;25;0;"<a href=https://www.ebi.ac.uk/chembl/assay_report_card/CHEMBL3637355/  target=_blank>CHEMBL3637355</a>";;;;;;;;;-5.64;;;;;;;;;;;;"Feng T, Li D, Wang H, Zhuang J, Liu F, Bao Q, Lei Y, Chen W, Zhang X, Xu X, Sun H, You Q, Guo X.: Novel 5-carboxy-8-HQ based histone demethylase JMJD2A inhibitors: introduction of an additional carboxyl group at the C-2 position of quinoline. Eur J Med Chem, Volume 105, 2015";ChEMBL
MM474191;MM474191;CN1CCN(C(=O)c2ccc3c(C(=O)O)ccc(O)c3n2)CC1;ZBSRPBAAJNLOAH-UHFFFAOYSA-N;315.33;1.03;;;;;BBB;EPAM;25;0;"<a href=https://www.ebi.ac.uk/chembl/assay_report_card/CHEMBL3637355/  target=_blank>CHEMBL3637355</a>";;;;;;;;;-5.48;;;;;;;;;;;;"Feng T, Li D, Wang H, Zhuang J, Liu F, Bao Q, Lei Y, Chen W, Zhang X, Xu X, Sun H, You Q, Guo X.: Novel 5-carboxy-8-HQ based histone demethylase JMJD2A inhibitors: introduction of an additional carboxyl group at the C-2 position of quinoline. Eur J Med Chem, Volume 105, 2015";ChEMBL
MM472988;MM472988;O=C(O)c1ccc(OCC=CCn2c(=O)n(C(c3ccccc3)c3ccccc3)c(=O)c3ccc(N4CCOCC4)cc32)cc1;ZQPKBYQQGAQUAK-BQYQJAHWSA-N;603.68;4.97;45268336;;;CHEMBL541436;GENER;EPAM;25;0;"<a href=https://www.ebi.ac.uk/chembl/assay_report_card/CHEMBL1059836/  target=_blank>CHEMBL1059836</a>";;;;;;;;;-6;;;;;;;;;;;;"Kirincich SJ, Xiang J, Green N, Tam S, Yang HY, Shim J, Shen MW, Clark JD, McKew JC.: Benzhydrylquinazolinediones: novel cytosolic phospholipase A2alpha inhibitors with improved physicochemical properties. Bioorg Med Chem, Volume 17 (13), 2009";ChEMBL
MM473752;MM473752;CC(C)N1CCC(Oc2ccc3cc(C(=O)N4CCOCC4)ccc3c2)CC1;WPBLHQJDLOPHGT-UHFFFAOYSA-N;382.5;3.56;;;;;GENER;EPAM;25;0;"<a href=https://www.ebi.ac.uk/chembl/assay_report_card/CHEMBL1055927/  target=_blank>CHEMBL1055927</a>";;;;;;;;;-5.6;;;;;;;;;;;;"Rodríguez Sarmiento RM, Nettekoven MH, Taylor S, Plancher JM, Richter H, Roche O.: Selective naphthalene H(3) receptor inverse agonists with reduced potential to induce phospholipidosis and their quinoline analogs. Bioorg Med Chem Lett, Volume 19 (15), 2009";ChEMBL
MM473279;MM473279;Oc1ccc2cc(-c3ccc4cccc(O)c4n3)oc2c1;ORGSOAXTXRBJKL-UHFFFAOYSA-N;277.28;4.06;137175273;;;CHEMBL3734795;BBB;EPAM;25;0;"<a href=https://www.ebi.ac.uk/chembl/assay_report_card/CHEMBL3739242/  target=_blank>CHEMBL3739242</a>";;;;;;;;;-4.8;;;;;;;;;;;;"Wang Z, Wang Y, Wang B, Li W, Huang L, Li X.: Design, Synthesis, and Evaluation of Orally Available Clioquinol-Moracin M Hybrids as Multitarget-Directed Ligands for Cognitive Improvement in a Rat Model of Neurodegeneration in Alzheimer's Disease. J Med Chem, Volume 58 (21), 2015";ChEMBL
MM471551;MM471551;COc1ccc(NC(=O)Nc2cc(C)nc3ccccc23)cc1Cl;XHNLBHIDLMMRFX-UHFFFAOYSA-N;341.8;4.85;16085873;;;CHEMBL548963;GENER;EPAM;25;0;"ph = 7.4, <a href=https://www.ebi.ac.uk/chembl/assay_report_card/CHEMBL1696258/  target=_blank>CHEMBL1696258</a>";;;;;;;;;-3.47;;;;;;;;;;;;"Zhang Y, Anderson M, Weisman JL, Lu M, Choy CJ, Boyd VA, Price J, Sigal M, Clark J, Connelly M, Zhu F, Guiguemde WA, Jeffries C, Yang L, Lemoff A, Liou AP, Webb TR, Derisi JL, Guy RK.: Evaluation of Diarylureas for Activity Against Plasmodium falciparum. ACS Med Chem Lett, Volume 1 (9), 2010";ChEMBL
MM471956;MM471956;CC(C)=CC[C@@]12OC(C)(C)[C@@H]3C[C@@H](C=C4C(=O)c5c(O)cccc5O[C@]431)C2=O;;380.44;3.76;;;;CHEMBL1958320;GENER;EPAM;25;0;"ph = 5, <a href=https://www.ebi.ac.uk/chembl/assay_report_card/CHEMBL3428736/  target=_blank>CHEMBL3428736</a>";;;;;;;;;-4.63;;;;;;;;;;;;"Wu Y, Hu M, Yang L, Li X, Bian J, Jiang F, Sun H, You Q, Zhang X.: Novel natural-product-like caged xanthones with improved druglike properties and in vivo antitumor potency. Bioorg Med Chem Lett, Volume 25 (12), 2015";ChEMBL
MM473287;MM473287;Oc1ccc2oc(-c3cc(I)c(O)c4ncccc34)cc2c1;GMKKSNLKPITLIM-UHFFFAOYSA-N;403.18;4.66;;;;;BBB;EPAM;25;0;"<a href=https://www.ebi.ac.uk/chembl/assay_report_card/CHEMBL3739242/  target=_blank>CHEMBL3739242</a>";;;;;;;;;-4.72;;;;;;;;;;;;"Wang Z, Wang Y, Wang B, Li W, Huang L, Li X.: Design, Synthesis, and Evaluation of Orally Available Clioquinol-Moracin M Hybrids as Multitarget-Directed Ligands for Cognitive Improvement in a Rat Model of Neurodegeneration in Alzheimer's Disease. J Med Chem, Volume 58 (21), 2015";ChEMBL
MM473756;MM473756;CN1CCCCC1(C)c1nc(C(=O)NCc2ccc(F)cc2)c(O)c(=O)[nH]1;DWCBYHSUKCYVPJ-UHFFFAOYSA-N;374.42;1.88;135598606;;;CHEMBL549309;GENER;EPAM;25;0;"<a href=https://www.ebi.ac.uk/chembl/assay_report_card/CHEMBL1060104/  target=_blank>CHEMBL1060104</a>";;;;;;;;;-5.66;;;;;;;;;;;;"Nizi E, Orsale MV, Crescenzi B, Pescatore G, Muraglia E, Alfieri A, Gardelli C, Spieser SA, Summa V.: Dihydroxy-pyrimidine and N-methylpyrimidone HIV-integrase inhibitors: improving cell based activity by the quaternarization of a chiral center. Bioorg Med Chem Lett, Volume 19 (16), 2009";ChEMBL
MM471956;MM471956;CC(C)=CC[C@@]12OC(C)(C)[C@@H]3C[C@@H](C=C4C(=O)c5c(O)cccc5O[C@]431)C2=O;;380.44;3.76;;;;CHEMBL1958320;GENER;EPAM;25;0;"ph = 6.2, <a href=https://www.ebi.ac.uk/chembl/assay_report_card/CHEMBL3428917/  target=_blank>CHEMBL3428917</a>";;;;;;;;;-4.59;;;;;;;;;;;;"Wu Y, Hu M, Yang L, Li X, Bian J, Jiang F, Sun H, You Q, Zhang X.: Novel natural-product-like caged xanthones with improved druglike properties and in vivo antitumor potency. Bioorg Med Chem Lett, Volume 25 (12), 2015";ChEMBL
MM473273;MM473273;Oc1ccc(-c2cc3cccc(O)c3o2)c2cccnc12;XDDANCPGMCWEBK-UHFFFAOYSA-N;277.28;4.06;127035574;;;CHEMBL3735005;BBB;EPAM;25;0;"<a href=https://www.ebi.ac.uk/chembl/assay_report_card/CHEMBL3739242/  target=_blank>CHEMBL3739242</a>";;;;;;;;;-4.84;;;;;;;;;;;;"Wang Z, Wang Y, Wang B, Li W, Huang L, Li X.: Design, Synthesis, and Evaluation of Orally Available Clioquinol-Moracin M Hybrids as Multitarget-Directed Ligands for Cognitive Improvement in a Rat Model of Neurodegeneration in Alzheimer's Disease. J Med Chem, Volume 58 (21), 2015";ChEMBL
MM473762;MM473762;CC(=O)N1CCN(C)C(C)(c2nc(C(=O)NCc3ccc(F)cc3)c(O)c(=O)n2C)C1;NFEPQYVYHPMREC-UHFFFAOYSA-N;431.47;0.56;54712038;;;CHEMBL549592;GENER;EPAM;25;0;"<a href=https://www.ebi.ac.uk/chembl/assay_report_card/CHEMBL1060104/  target=_blank>CHEMBL1060104</a>";;;;;;;;;-5.24;;;;;;;;;;;;"Nizi E, Orsale MV, Crescenzi B, Pescatore G, Muraglia E, Alfieri A, Gardelli C, Spieser SA, Summa V.: Dihydroxy-pyrimidine and N-methylpyrimidone HIV-integrase inhibitors: improving cell based activity by the quaternarization of a chiral center. Bioorg Med Chem Lett, Volume 19 (16), 2009";ChEMBL
MM472984;MM472984;Nc1ccc2c(=O)n(C(c3ccccc3)c3ccccc3)c(=O)n(CC=CCOc3ccc(C(=O)O)cc3)c2c1;HOZIQVZNFYBTSZ-BQYQJAHWSA-N;533.58;4.72;45270074;;;CHEMBL550187;GENER;EPAM;25;0;"<a href=https://www.ebi.ac.uk/chembl/assay_report_card/CHEMBL1059836/  target=_blank>CHEMBL1059836</a>";;;;;;;;;-6.4;;;;;;;;;;;;"Kirincich SJ, Xiang J, Green N, Tam S, Yang HY, Shim J, Shen MW, Clark JD, McKew JC.: Benzhydrylquinazolinediones: novel cytosolic phospholipase A2alpha inhibitors with improved physicochemical properties. Bioorg Med Chem, Volume 17 (13), 2009";ChEMBL
MM473283;MM473283;Oc1ccc2cc(-c3cc(Cl)c(O)c4ncccc34)oc2c1;HMWXOZDGBHHCKY-UHFFFAOYSA-N;311.72;4.71;137175275;;;CHEMBL3735104;BBB;EPAM;25;0;"<a href=https://www.ebi.ac.uk/chembl/assay_report_card/CHEMBL3739242/  target=_blank>CHEMBL3739242</a>";;;;;;;;;-4.75;;;;;;;;;;;;"Wang Z, Wang Y, Wang B, Li W, Huang L, Li X.: Design, Synthesis, and Evaluation of Orally Available Clioquinol-Moracin M Hybrids as Multitarget-Directed Ligands for Cognitive Improvement in a Rat Model of Neurodegeneration in Alzheimer's Disease. J Med Chem, Volume 58 (21), 2015";ChEMBL
MM471956;MM471956;CC(C)=CC[C@@]12OC(C)(C)[C@@H]3C[C@@H](C=C4C(=O)c5c(O)cccc5O[C@]431)C2=O;;380.44;3.76;;;;CHEMBL1958320;GENER;EPAM;25;0;"ph = 7.4, <a href=https://www.ebi.ac.uk/chembl/assay_report_card/CHEMBL3428918/  target=_blank>CHEMBL3428918</a>";;;;;;;;;-4.74;;;;;;;;;;;;"Wu Y, Hu M, Yang L, Li X, Bian J, Jiang F, Sun H, You Q, Zhang X.: Novel natural-product-like caged xanthones with improved druglike properties and in vivo antitumor potency. Bioorg Med Chem Lett, Volume 25 (12), 2015";ChEMBL
MM473758;MM473758;Cc1nc(C)c(C(=O)N2CCCCC2(C)c2nc(C(=O)NCc3ccc(F)cc3)c(O)c(=O)[nH]2)s1;ICPPCODEZYGZTO-UHFFFAOYSA-N;499.57;3.16;135598604;;;CHEMBL550202;GENER;EPAM;25;0;"<a href=https://www.ebi.ac.uk/chembl/assay_report_card/CHEMBL1060104/  target=_blank>CHEMBL1060104</a>";;;;;;;;;-4.39;;;;;;;;;;;;"Nizi E, Orsale MV, Crescenzi B, Pescatore G, Muraglia E, Alfieri A, Gardelli C, Spieser SA, Summa V.: Dihydroxy-pyrimidine and N-methylpyrimidone HIV-integrase inhibitors: improving cell based activity by the quaternarization of a chiral center. Bioorg Med Chem Lett, Volume 19 (16), 2009";ChEMBL
MM473285;MM473285;Cc1c(-c2cc(Cl)c(O)c3ncccc23)oc2ccc(O)cc12;OXESIVYQPBCCEC-UHFFFAOYSA-N;325.75;5.02;127034954;;;CHEMBL3735108;BBB;EPAM;25;0;"<a href=https://www.ebi.ac.uk/chembl/assay_report_card/CHEMBL3739242/  target=_blank>CHEMBL3739242</a>";;;;;;;;;-5.46;;;;;;;;;;;;"Wang Z, Wang Y, Wang B, Li W, Huang L, Li X.: Design, Synthesis, and Evaluation of Orally Available Clioquinol-Moracin M Hybrids as Multitarget-Directed Ligands for Cognitive Improvement in a Rat Model of Neurodegeneration in Alzheimer's Disease. J Med Chem, Volume 58 (21), 2015";ChEMBL
MM473754;MM473754;CC(=O)N1CCCC1(C)c1nc(C(=O)NCc2ccc(F)cc2)c(O)c(=O)[nH]1;VSANFJNPTKNGGX-IBGZPJMESA-N;388.4;1.4;135598650;;;CHEMBL550674;GENER;EPAM;25;0;"<a href=https://www.ebi.ac.uk/chembl/assay_report_card/CHEMBL1060104/  target=_blank>CHEMBL1060104</a>";;;;;;;;;-4.91;;;;;;;;;;;;"Nizi E, Orsale MV, Crescenzi B, Pescatore G, Muraglia E, Alfieri A, Gardelli C, Spieser SA, Summa V.: Dihydroxy-pyrimidine and N-methylpyrimidone HIV-integrase inhibitors: improving cell based activity by the quaternarization of a chiral center. Bioorg Med Chem Lett, Volume 19 (16), 2009";ChEMBL
MM473278;MM473278;Oc1ccc(-c2cc3cc(I)cc(I)c3o2)c2cccnc12;PDJHSJJCGZVYGQ-UHFFFAOYSA-N;513.07;5.56;127035761;;;CHEMBL3735115;BBB;EPAM;25;0;"<a href=https://www.ebi.ac.uk/chembl/assay_report_card/CHEMBL3739242/  target=_blank>CHEMBL3739242</a>";;;;;;;;;-5.44;;;;;;;;;;;;"Wang Z, Wang Y, Wang B, Li W, Huang L, Li X.: Design, Synthesis, and Evaluation of Orally Available Clioquinol-Moracin M Hybrids as Multitarget-Directed Ligands for Cognitive Improvement in a Rat Model of Neurodegeneration in Alzheimer's Disease. J Med Chem, Volume 58 (21), 2015";ChEMBL
MM471494;MM471494;CCCCCCSc1cc(C)c(C(=O)CCN2CCN(S(=O)(=O)CC)CC2)c(C)c1;JCPLAMNBZJOBSS-UHFFFAOYSA-N;454.7;4.52;44185860;;;CHEMBL550760;GENER;EPAM;25;0;"ph = 7.4, <a href=https://www.ebi.ac.uk/chembl/assay_report_card/CHEMBL1034536/  target=_blank>CHEMBL1034536</a>";;;;;;;;;-3.8;;;;;;;;;;;;"Hwang JY, Arnold LA, Zhu F, Kosinski A, Mangano TJ, Setola V, Roth BL, Guy RK.: Improvement of pharmacological properties of irreversible thyroid receptor coactivator binding inhibitors. J Med Chem, Volume 52 (13), 2009";ChEMBL
MM473280;MM473280;Oc1cc(O)c2cc(-c3ccc4cccc(O)c4n3)oc2c1;SCPPIEOAZANCCO-UHFFFAOYSA-N;293.28;3.76;137175274;;;CHEMBL3735525;BBB;EPAM;25;0;"<a href=https://www.ebi.ac.uk/chembl/assay_report_card/CHEMBL3739242/  target=_blank>CHEMBL3739242</a>";;;;;;;;;-4.88;;;;;;;;;;;;"Wang Z, Wang Y, Wang B, Li W, Huang L, Li X.: Design, Synthesis, and Evaluation of Orally Available Clioquinol-Moracin M Hybrids as Multitarget-Directed Ligands for Cognitive Improvement in a Rat Model of Neurodegeneration in Alzheimer's Disease. J Med Chem, Volume 58 (21), 2015";ChEMBL
MM471478;MM471478;CCCCCCOc1ccc(C(=O)CCNc2ccccc2)cc1;FDHFMTGLJWTADB-UHFFFAOYSA-N;325.45;5.33;44186520;;;CHEMBL550841;GENER;EPAM;25;0;"ph = 7.4, <a href=https://www.ebi.ac.uk/chembl/assay_report_card/CHEMBL1034536/  target=_blank>CHEMBL1034536</a>";;;;;;;;;-6.7;;;;;;;;;;;;"Hwang JY, Arnold LA, Zhu F, Kosinski A, Mangano TJ, Setola V, Roth BL, Guy RK.: Improvement of pharmacological properties of irreversible thyroid receptor coactivator binding inhibitors. J Med Chem, Volume 52 (13), 2009";ChEMBL
MM473288;MM473288;Oc1cc(O)c2cc(-c3cc(I)c(O)c4ncccc34)oc2c1;DSAFDYWSTXNLSD-UHFFFAOYSA-N;419.17;4.37;137189803;;;CHEMBL3735540;BBB;EPAM;25;0;"<a href=https://www.ebi.ac.uk/chembl/assay_report_card/CHEMBL3739242/  target=_blank>CHEMBL3739242</a>";;;;;;;;;-6.1;;;;;;;;;;;;"Wang Z, Wang Y, Wang B, Li W, Huang L, Li X.: Design, Synthesis, and Evaluation of Orally Available Clioquinol-Moracin M Hybrids as Multitarget-Directed Ligands for Cognitive Improvement in a Rat Model of Neurodegeneration in Alzheimer's Disease. J Med Chem, Volume 58 (21), 2015";ChEMBL
MM471489;MM471489;CCN1CCC(Cc2ccc(C(=O)CCN(C)C)cc2)CC1;MJKBOVKEXYJGBQ-UHFFFAOYSA-N;302.46;3.1;45270610;;;CHEMBL551244;GENER;EPAM;25;0;"ph = 7.4, <a href=https://www.ebi.ac.uk/chembl/assay_report_card/CHEMBL1034536/  target=_blank>CHEMBL1034536</a>";;;;;;;;;-3.85;;;;;;;;;;;;"Hwang JY, Arnold LA, Zhu F, Kosinski A, Mangano TJ, Setola V, Roth BL, Guy RK.: Improvement of pharmacological properties of irreversible thyroid receptor coactivator binding inhibitors. J Med Chem, Volume 52 (13), 2009";ChEMBL
MM473286;MM473286;Oc1ccc2cc(-c3cc(I)c(O)c4ncccc34)oc2c1;JZYWKPIRHMXZAH-UHFFFAOYSA-N;403.18;4.66;137189790;;;CHEMBL3735548;BBB;EPAM;25;0;"<a href=https://www.ebi.ac.uk/chembl/assay_report_card/CHEMBL3739242/  target=_blank>CHEMBL3739242</a>";;;;;;;;;-4.78;;;;;;;;;;;;"Wang Z, Wang Y, Wang B, Li W, Huang L, Li X.: Design, Synthesis, and Evaluation of Orally Available Clioquinol-Moracin M Hybrids as Multitarget-Directed Ligands for Cognitive Improvement in a Rat Model of Neurodegeneration in Alzheimer's Disease. J Med Chem, Volume 58 (21), 2015";ChEMBL
MM473276;MM473276;Oc1cc(O)c2cc(-c3ccc(O)c4ncccc34)oc2c1;JZVBDCRISWDLNE-UHFFFAOYSA-N;293.28;3.76;137189823;;;CHEMBL3735557;BBB;EPAM;25;0;"<a href=https://www.ebi.ac.uk/chembl/assay_report_card/CHEMBL3739242/  target=_blank>CHEMBL3739242</a>";;;;;;;;;-5.59;;;;;;;;;;;;"Wang Z, Wang Y, Wang B, Li W, Huang L, Li X.: Design, Synthesis, and Evaluation of Orally Available Clioquinol-Moracin M Hybrids as Multitarget-Directed Ligands for Cognitive Improvement in a Rat Model of Neurodegeneration in Alzheimer's Disease. J Med Chem, Volume 58 (21), 2015";ChEMBL
MM471483;MM471483;CCCCCCSc1ccc(C(=O)CCN2CCN(S(=O)(=O)CC)CC2)c(Cl)c1Cl;MMZLNKJLYDEBGH-UHFFFAOYSA-N;495.54;5.21;;;;;GENER;EPAM;25;0;"ph = 7.4, <a href=https://www.ebi.ac.uk/chembl/assay_report_card/CHEMBL1034536/  target=_blank>CHEMBL1034536</a>";;;;;;;;;-4.52;;;;;;;;;;;;"Hwang JY, Arnold LA, Zhu F, Kosinski A, Mangano TJ, Setola V, Roth BL, Guy RK.: Improvement of pharmacological properties of irreversible thyroid receptor coactivator binding inhibitors. J Med Chem, Volume 52 (13), 2009";ChEMBL
MM471798;MM471798;COc1ccc(CNc2nc(SC)nc3c2cnn3CC(Cl)c2ccccc2)cc1;MDRRJZBAXQKICB-UHFFFAOYSA-N;439.97;5.15;;;;;GENER;EPAM;25;0;"ph = 7.4, <a href=https://www.ebi.ac.uk/chembl/assay_report_card/CHEMBL1056608/  target=_blank>CHEMBL1056608</a>";;;;;;;;;-5.82;;;;;;;;;;;;"Dreassi E, Zizzari AT, Falchi F, Schenone S, Santucci A, Maga G, Botta M.: Determination of permeability and lipophilicity of pyrazolo-pyrimidine tyrosine kinase inhibitors and correlation with biological data. Eur J Med Chem, Volume 44 (9), 2009";ChEMBL
MM473282;MM473282;Oc1c(Cl)cc(-c2cc3cccc(O)c3o2)c2cccnc12;VLMNAUSADIVTQT-UHFFFAOYSA-N;311.72;4.71;127034776;;;CHEMBL3736003;BBB;EPAM;25;0;"<a href=https://www.ebi.ac.uk/chembl/assay_report_card/CHEMBL3739242/  target=_blank>CHEMBL3739242</a>";;;;;;;;;-4.79;;;;;;;;;;;;"Wang Z, Wang Y, Wang B, Li W, Huang L, Li X.: Design, Synthesis, and Evaluation of Orally Available Clioquinol-Moracin M Hybrids as Multitarget-Directed Ligands for Cognitive Improvement in a Rat Model of Neurodegeneration in Alzheimer's Disease. J Med Chem, Volume 58 (21), 2015";ChEMBL
MM471487;MM471487;CCCCCCOc1ccc(C(=O)CCN(C)C)c(Br)c1;LZOVXMFTOXYNNG-UHFFFAOYSA-N;356.3;4.54;44186424;;;CHEMBL551791;GENER;EPAM;25;0;"ph = 7.4, <a href=https://www.ebi.ac.uk/chembl/assay_report_card/CHEMBL1034536/  target=_blank>CHEMBL1034536</a>";;;;;;;;;-4.1;;;;;;;;;;;;"Hwang JY, Arnold LA, Zhu F, Kosinski A, Mangano TJ, Setola V, Roth BL, Guy RK.: Improvement of pharmacological properties of irreversible thyroid receptor coactivator binding inhibitors. J Med Chem, Volume 52 (13), 2009";ChEMBL
MM473281;MM473281;Oc1c(Cl)cc(-c2cc3ccccc3o2)c2cccnc12;DUZLZVGSEUWPLI-UHFFFAOYSA-N;295.73;5.01;;;;;BBB;EPAM;25;0;"<a href=https://www.ebi.ac.uk/chembl/assay_report_card/CHEMBL3739242/  target=_blank>CHEMBL3739242</a>";;;;;;;;;-5.59;;;;;;;;;;;;"Wang Z, Wang Y, Wang B, Li W, Huang L, Li X.: Design, Synthesis, and Evaluation of Orally Available Clioquinol-Moracin M Hybrids as Multitarget-Directed Ligands for Cognitive Improvement in a Rat Model of Neurodegeneration in Alzheimer's Disease. J Med Chem, Volume 58 (21), 2015";ChEMBL
MM473761;MM473761;CN1CCN(C(=O)c2cnccn2)C(C)(c2nc(C(=O)NCc3ccc(F)cc3)c(O)c(=O)[nH]2)C1;HJVVPRFMGAXBBU-UHFFFAOYSA-N;481.49;0.64;135601608;;;CHEMBL551942;GENER;EPAM;25;0;"<a href=https://www.ebi.ac.uk/chembl/assay_report_card/CHEMBL1060104/  target=_blank>CHEMBL1060104</a>";;;;;;;;;-5.27;;;;;;;;;;;;"Nizi E, Orsale MV, Crescenzi B, Pescatore G, Muraglia E, Alfieri A, Gardelli C, Spieser SA, Summa V.: Dihydroxy-pyrimidine and N-methylpyrimidone HIV-integrase inhibitors: improving cell based activity by the quaternarization of a chiral center. Bioorg Med Chem Lett, Volume 19 (16), 2009";ChEMBL
MM473272;MM473272;Oc1ccc(-c2cc3ccccc3o2)c2cccnc12;CRLIXXNKXQZKMN-UHFFFAOYSA-N;261.28;4.35;68957324;;;CHEMBL3736076;BBB;EPAM;25;0;"<a href=https://www.ebi.ac.uk/chembl/assay_report_card/CHEMBL3739242/  target=_blank>CHEMBL3739242</a>";;;;;;;;;-5.37;;;;;;;;;;;;"Wang Z, Wang Y, Wang B, Li W, Huang L, Li X.: Design, Synthesis, and Evaluation of Orally Available Clioquinol-Moracin M Hybrids as Multitarget-Directed Ligands for Cognitive Improvement in a Rat Model of Neurodegeneration in Alzheimer's Disease. J Med Chem, Volume 58 (21), 2015";ChEMBL
MM473275;MM473275;Oc1ccc2oc(-c3ccc(O)c4ncccc34)cc2c1;KMKCENJRAJLIDT-UHFFFAOYSA-N;277.28;4.06;127037266;;;CHEMBL3736120;BBB;EPAM;25;0;"<a href=https://www.ebi.ac.uk/chembl/assay_report_card/CHEMBL3739242/  target=_blank>CHEMBL3739242</a>";;;;;;;;;-4.81;;;;;;;;;;;;"Wang Z, Wang Y, Wang B, Li W, Huang L, Li X.: Design, Synthesis, and Evaluation of Orally Available Clioquinol-Moracin M Hybrids as Multitarget-Directed Ligands for Cognitive Improvement in a Rat Model of Neurodegeneration in Alzheimer's Disease. J Med Chem, Volume 58 (21), 2015";ChEMBL
MM471491;MM471491;CCCCCCSc1cc(Cl)c(C(=O)CCN2CC2C)cc1Cl;BOTHSWILLQNCAB-UHFFFAOYSA-N;374.38;5.94;44185914;;;CHEMBL552517;GENER;EPAM;25;0;"ph = 7.4, <a href=https://www.ebi.ac.uk/chembl/assay_report_card/CHEMBL1034536/  target=_blank>CHEMBL1034536</a>";;;;;;;;;-3.85;;;;;;;;;;;;"Hwang JY, Arnold LA, Zhu F, Kosinski A, Mangano TJ, Setola V, Roth BL, Guy RK.: Improvement of pharmacological properties of irreversible thyroid receptor coactivator binding inhibitors. J Med Chem, Volume 52 (13), 2009";ChEMBL
MM472986;MM472986;O=C(O)c1ccc(OCC=CCn2c(=O)n(C(c3ccccc3)c3ccccc3)c(=O)c3ccc(-n4cncn4)cc32)cc1;VEJRGNIFKIKVEQ-BQYQJAHWSA-N;585.62;4.72;45267478;;;CHEMBL552704;GENER;EPAM;25;0;"<a href=https://www.ebi.ac.uk/chembl/assay_report_card/CHEMBL1059836/  target=_blank>CHEMBL1059836</a>";;;;;;;;;-5.8;;;;;;;;;;;;"Kirincich SJ, Xiang J, Green N, Tam S, Yang HY, Shim J, Shen MW, Clark JD, McKew JC.: Benzhydrylquinazolinediones: novel cytosolic phospholipase A2alpha inhibitors with improved physicochemical properties. Bioorg Med Chem, Volume 17 (13), 2009";ChEMBL
MM473284;MM473284;Oc1ccc2oc(-c3cc(Cl)c(O)c4ncccc34)cc2c1;JGXYRMHZQJZSQI-UHFFFAOYSA-N;311.72;4.71;127037472;;;CHEMBL3736201;BBB;EPAM;25;0;"<a href=https://www.ebi.ac.uk/chembl/assay_report_card/CHEMBL3739242/  target=_blank>CHEMBL3739242</a>";;;;;;;;;-4.67;;;;;;;;;;;;"Wang Z, Wang Y, Wang B, Li W, Huang L, Li X.: Design, Synthesis, and Evaluation of Orally Available Clioquinol-Moracin M Hybrids as Multitarget-Directed Ligands for Cognitive Improvement in a Rat Model of Neurodegeneration in Alzheimer's Disease. J Med Chem, Volume 58 (21), 2015";ChEMBL
MM473274;MM473274;Oc1ccc2cc(-c3ccc(O)c4ncccc34)oc2c1;ZGBUNVZCWNGWGO-UHFFFAOYSA-N;277.28;4.06;137189822;;;CHEMBL3736261;BBB;EPAM;25;0;"<a href=https://www.ebi.ac.uk/chembl/assay_report_card/CHEMBL3739242/  target=_blank>CHEMBL3739242</a>";;;;;;;;;-4.8;;;;;;;;;;;;"Wang Z, Wang Y, Wang B, Li W, Huang L, Li X.: Design, Synthesis, and Evaluation of Orally Available Clioquinol-Moracin M Hybrids as Multitarget-Directed Ligands for Cognitive Improvement in a Rat Model of Neurodegeneration in Alzheimer's Disease. J Med Chem, Volume 58 (21), 2015";ChEMBL
MM471496;MM471496;CCCCCCOc1ccc(C(=O)CCN(C)C)c(N(C)C)c1;YJUFQRISAJWTSK-UHFFFAOYSA-N;320.48;3.85;44186100;;;CHEMBL552742;GENER;EPAM;25;0;"ph = 7.4, <a href=https://www.ebi.ac.uk/chembl/assay_report_card/CHEMBL1034536/  target=_blank>CHEMBL1034536</a>";;;;;;;;;-3.77;;;;;;;;;;;;"Hwang JY, Arnold LA, Zhu F, Kosinski A, Mangano TJ, Setola V, Roth BL, Guy RK.: Improvement of pharmacological properties of irreversible thyroid receptor coactivator binding inhibitors. J Med Chem, Volume 52 (13), 2009";ChEMBL
MM472989;MM472989;COc1ccc2c(=O)n(C(c3ccccc3)c3ccccc3)c(=O)n(CC=CCOc3ccc(C(=O)O)cc3)c2c1;FUNJNMYYSNZGQH-CMDGGOBGSA-N;548.6;5.14;45268335;;;CHEMBL553702;GENER;EPAM;25;0;"<a href=https://www.ebi.ac.uk/chembl/assay_report_card/CHEMBL1059836/  target=_blank>CHEMBL1059836</a>";;;;;;;;;-5.74;;;;;;;;;;;;"Kirincich SJ, Xiang J, Green N, Tam S, Yang HY, Shim J, Shen MW, Clark JD, McKew JC.: Benzhydrylquinazolinediones: novel cytosolic phospholipase A2alpha inhibitors with improved physicochemical properties. Bioorg Med Chem, Volume 17 (13), 2009";ChEMBL
MM473277;MM473277;Cc1c(-c2ccc(O)c3ncccc23)oc2ccc(O)cc12;IMNTVUUWCDEKTE-UHFFFAOYSA-N;291.31;4.37;127035760;;;CHEMBL3736439;BBB;EPAM;25;0;"<a href=https://www.ebi.ac.uk/chembl/assay_report_card/CHEMBL3739242/  target=_blank>CHEMBL3739242</a>";;;;;;;;;-4.77;;;;;;;;;;;;"Wang Z, Wang Y, Wang B, Li W, Huang L, Li X.: Design, Synthesis, and Evaluation of Orally Available Clioquinol-Moracin M Hybrids as Multitarget-Directed Ligands for Cognitive Improvement in a Rat Model of Neurodegeneration in Alzheimer's Disease. J Med Chem, Volume 58 (21), 2015";ChEMBL
MM474200;MM474200;N#Cc1ccc(-c2nc3ccc(Cl)cc3c3c2CCN3)cc1;MARKQEIVXJHMSE-UHFFFAOYSA-N;305.77;4.39;;;;;BBB;EPAM;25;0;"<a href=https://www.ebi.ac.uk/chembl/assay_report_card/CHEMBL3743395/  target=_blank>CHEMBL3743395</a>";;;;;;;;;-5.17;;;;;;;;;;;;"Di Pietro O, Vicente-García E, Taylor MC, Berenguer D, Viayna E, Lanzoni A, Sola I, Sayago H, Riera C, Fisa R, Clos MV, Pérez B, Kelly JM, Lavilla R, Muñoz-Torrero D.: Multicomponent reaction-based synthesis and biological evaluation of tricyclic heterofused quinolines with multi-trypanosomatid activity. Eur J Med Chem, Volume 105, 2015";ChEMBL
MM472990;MM472990;CS(=O)(=O)c1ccc2c(=O)n(C(c3ccccc3)c3ccccc3)c(=O)n(CC=CCOc3ccc(C(=O)O)cc3)c2c1;HSWBYAFNAMYGMZ-CMDGGOBGSA-N;596.66;4.54;45269210;;;CHEMBL554365;GENER;EPAM;25;0;"<a href=https://www.ebi.ac.uk/chembl/assay_report_card/CHEMBL1059836/  target=_blank>CHEMBL1059836</a>";;;;;;;;;-6.52;;;;;;;;;;;;"Kirincich SJ, Xiang J, Green N, Tam S, Yang HY, Shim J, Shen MW, Clark JD, McKew JC.: Benzhydrylquinazolinediones: novel cytosolic phospholipase A2alpha inhibitors with improved physicochemical properties. Bioorg Med Chem, Volume 17 (13), 2009";ChEMBL
MM474215;MM474215;OCCCc1cc2cc(Cl)ccc2nc1-c1cccs1;QNQWTNLIDGLDJL-UHFFFAOYSA-N;303.81;4.54;;;;;BBB;EPAM;25;0;"<a href=https://www.ebi.ac.uk/chembl/assay_report_card/CHEMBL3743395/  target=_blank>CHEMBL3743395</a>";;;;;;;;;-4.55;;;;;;;;;;;;"Di Pietro O, Vicente-García E, Taylor MC, Berenguer D, Viayna E, Lanzoni A, Sola I, Sayago H, Riera C, Fisa R, Clos MV, Pérez B, Kelly JM, Lavilla R, Muñoz-Torrero D.: Multicomponent reaction-based synthesis and biological evaluation of tricyclic heterofused quinolines with multi-trypanosomatid activity. Eur J Med Chem, Volume 105, 2015";ChEMBL
MM473753;MM473753;CC1(c2nc(C(=O)NCc3ccc(F)cc3)c(O)c(=O)[nH]2)CCCN1;UBSNJOHDWFHFOY-KRWDZBQOSA-N;346.36;1.14;135966015;;;CHEMBL554522;GENER;EPAM;25;0;"<a href=https://www.ebi.ac.uk/chembl/assay_report_card/CHEMBL1060104/  target=_blank>CHEMBL1060104</a>";;;;;;;;;-5.19;;;;;;;;;;;;"Nizi E, Orsale MV, Crescenzi B, Pescatore G, Muraglia E, Alfieri A, Gardelli C, Spieser SA, Summa V.: Dihydroxy-pyrimidine and N-methylpyrimidone HIV-integrase inhibitors: improving cell based activity by the quaternarization of a chiral center. Bioorg Med Chem Lett, Volume 19 (16), 2009";ChEMBL
MM471957;MM471957;CC(C)=CCCC1(C)C=Cc2c(O)c3c(c(CC=C(C)C)c2O1)OC12C(=CC4CC1C(C)(C)OC2(CC=C(C)C(=O)O)C4=O)C3=O;;628.76;7.24;9852185;;;CHEMBL555017;GENER;EPAM;25;0;"ph = 5, <a href=https://www.ebi.ac.uk/chembl/assay_report_card/CHEMBL3428736/  target=_blank>CHEMBL3428736</a>";;;;;;;;;-6.05;;;;;;;;;;;;"Wu Y, Hu M, Yang L, Li X, Bian J, Jiang F, Sun H, You Q, Zhang X.: Novel natural-product-like caged xanthones with improved druglike properties and in vivo antitumor potency. Bioorg Med Chem Lett, Volume 25 (12), 2015";ChEMBL
MM474202;MM474202;N#Cc1ccc(-c2nc3ccc(Cl)cc3c3c2CCCCN3)cc1;KMKWCJNKYGPIFE-UHFFFAOYSA-N;333.82;5.18;;;;;BBB;EPAM;25;0;"<a href=https://www.ebi.ac.uk/chembl/assay_report_card/CHEMBL3743395/  target=_blank>CHEMBL3743395</a>";;;;;;;;;-4.7;;;;;;;;;;;;"Di Pietro O, Vicente-García E, Taylor MC, Berenguer D, Viayna E, Lanzoni A, Sola I, Sayago H, Riera C, Fisa R, Clos MV, Pérez B, Kelly JM, Lavilla R, Muñoz-Torrero D.: Multicomponent reaction-based synthesis and biological evaluation of tricyclic heterofused quinolines with multi-trypanosomatid activity. Eur J Med Chem, Volume 105, 2015";ChEMBL
MM471957;MM471957;CC(C)=CCCC1(C)C=Cc2c(O)c3c(c(CC=C(C)C)c2O1)OC12C(=CC4CC1C(C)(C)OC2(CC=C(C)C(=O)O)C4=O)C3=O;;628.76;7.24;9852185;;;CHEMBL555017;GENER;EPAM;25;0;"ph = 6.2, <a href=https://www.ebi.ac.uk/chembl/assay_report_card/CHEMBL3428917/  target=_blank>CHEMBL3428917</a>";;;;;;;;;-5.74;;;;;;;;;;;;"Wu Y, Hu M, Yang L, Li X, Bian J, Jiang F, Sun H, You Q, Zhang X.: Novel natural-product-like caged xanthones with improved druglike properties and in vivo antitumor potency. Bioorg Med Chem Lett, Volume 25 (12), 2015";ChEMBL
MM474211;MM474211;NCc1ccc(-c2nc3ccc(Cl)cc3c3c2CCCO3)cc1;WLAWACJGWRQAIR-UHFFFAOYSA-N;324.81;4.34;;;;;BBB;EPAM;25;0;"<a href=https://www.ebi.ac.uk/chembl/assay_report_card/CHEMBL3743395/  target=_blank>CHEMBL3743395</a>";;;;;;;;;-4.81;;;;;;;;;;;;"Di Pietro O, Vicente-García E, Taylor MC, Berenguer D, Viayna E, Lanzoni A, Sola I, Sayago H, Riera C, Fisa R, Clos MV, Pérez B, Kelly JM, Lavilla R, Muñoz-Torrero D.: Multicomponent reaction-based synthesis and biological evaluation of tricyclic heterofused quinolines with multi-trypanosomatid activity. Eur J Med Chem, Volume 105, 2015";ChEMBL
MM471957;MM471957;CC(C)=CCCC1(C)C=Cc2c(O)c3c(c(CC=C(C)C)c2O1)OC12C(=CC4CC1C(C)(C)OC2(CC=C(C)C(=O)O)C4=O)C3=O;;628.76;7.24;9852185;;;CHEMBL555017;GENER;EPAM;25;0;"ph = 7.4, <a href=https://www.ebi.ac.uk/chembl/assay_report_card/CHEMBL3428918/  target=_blank>CHEMBL3428918</a>";;;;;;;;;-5.64;;;;;;;;;;;;"Wu Y, Hu M, Yang L, Li X, Bian J, Jiang F, Sun H, You Q, Zhang X.: Novel natural-product-like caged xanthones with improved druglike properties and in vivo antitumor potency. Bioorg Med Chem Lett, Volume 25 (12), 2015";ChEMBL
MM473846;MM473846;CC(C)CCOc1ccc(CN2CC(C(=O)O)C2)cc1;DYYJMZJVDUIBGB-UHFFFAOYSA-N;277.36;2.63;;;;;BBB;EPAM;25;0;"<a href=https://www.ebi.ac.uk/chembl/assay_report_card/CHEMBL3744421/  target=_blank>CHEMBL3744421</a>";;;;;;;;;0.51;;;;;;;;;;;;"Hobson AD, Harris CM, van der Kam EL, Turner SC, Abibi A, Aguirre AL, Bousquet P, Kebede T, Konopacki DB, Gintant G, Kim Y, Larson K, Maull JW, Moore NS, Shi D, Shrestha A, Tang X, Zhang P, Sarris KK.: Discovery of A-971432, An Orally Bioavailable Selective Sphingosine-1-Phosphate Receptor 5 (S1P5) Agonist for the Potential Treatment of Neurodegenerative Disorders. J Med Chem, Volume 58 (23), 2015";ChEMBL
MM471484;MM471484;CCCCCS(=O)(=O)Nc1ccc(C(=O)CCN(C)C)cc1;JMSFRMCZMZKUOB-UHFFFAOYSA-N;326.46;2.75;44186305;;;CHEMBL555726;GENER;EPAM;25;0;"ph = 7.4, <a href=https://www.ebi.ac.uk/chembl/assay_report_card/CHEMBL1034536/  target=_blank>CHEMBL1034536</a>";;;;;;;;;-4.3;;;;;;;;;;;;"Hwang JY, Arnold LA, Zhu F, Kosinski A, Mangano TJ, Setola V, Roth BL, Guy RK.: Improvement of pharmacological properties of irreversible thyroid receptor coactivator binding inhibitors. J Med Chem, Volume 52 (13), 2009";ChEMBL
MM474209;MM474209;N#Cc1ccc([C@H]2Nc3ccc(Cl)cc3[C@@H]3OCCC[C@H]23)cc1;XBJHXMGMJRRLMI-ATZDWAIDSA-N;324.81;4.85;;;;;BBB;EPAM;25;0;"<a href=https://www.ebi.ac.uk/chembl/assay_report_card/CHEMBL3743395/  target=_blank>CHEMBL3743395</a>";;;;;;;;;-5.15;;;;;;;;;;;;"Di Pietro O, Vicente-García E, Taylor MC, Berenguer D, Viayna E, Lanzoni A, Sola I, Sayago H, Riera C, Fisa R, Clos MV, Pérez B, Kelly JM, Lavilla R, Muñoz-Torrero D.: Multicomponent reaction-based synthesis and biological evaluation of tricyclic heterofused quinolines with multi-trypanosomatid activity. Eur J Med Chem, Volume 105, 2015";ChEMBL
MM472985;MM472985;O=C(O)c1ccc(OC/C=C/Cn2c(=O)n(C(c3ccccc3)c3ccccc3)c(=O)c3ccc([N+](=O)[O-])cc32)cc1;XWZCMMXNWINUFL-BQYQJAHWSA-N;563.57;5.04;;;;;GENER;EPAM;25;+1,-1;"<a href=https://www.ebi.ac.uk/chembl/assay_report_card/CHEMBL1059836/  target=_blank>CHEMBL1059836</a>";;;;;;;;;-5.59;;;;;;;;;;;;"Kirincich SJ, Xiang J, Green N, Tam S, Yang HY, Shim J, Shen MW, Clark JD, McKew JC.: Benzhydrylquinazolinediones: novel cytosolic phospholipase A2alpha inhibitors with improved physicochemical properties. Bioorg Med Chem, Volume 17 (13), 2009";ChEMBL
MM473300;MM473300;CCCCNC(=O)c1cc2c(cc1OC)[C@@]1(C)CC[C@H](O)C(C)(C)[C@@H]1CC2;IXPDXQZGPNEIRS-SXWKCWPCSA-N;373.54;4.23;;;;;BBB;EPAM;25;0;"<a href=https://www.ebi.ac.uk/chembl/assay_report_card/CHEMBL3744986/  target=_blank>CHEMBL3744986</a>";;;;;;;;;-4.95;;;;;;;;;;;;"Wang YY, Gao YX, Gao W, Xu Y, Xu YZ, Wang YJ, Chang S, Yu LG, Zhang LY, Liao H, Yang LF, Pang T, Qiu WW.: Design, synthesis and biological evaluation of tricyclic diterpene derivatives as novel neuroprotective agents against ischemic brain injury. Eur J Med Chem, Volume 103, 2015";ChEMBL
MM474213;MM474213;Clc1ccc2nc(-c3cccs3)c3c(c2c1)OCCC3;WAOUWXOFWOYILO-UHFFFAOYSA-N;301.8;4.94;;;;;BBB;EPAM;25;0;"<a href=https://www.ebi.ac.uk/chembl/assay_report_card/CHEMBL3743395/  target=_blank>CHEMBL3743395</a>";;;;;;;;;-4.84;;;;;;;;;;;;"Di Pietro O, Vicente-García E, Taylor MC, Berenguer D, Viayna E, Lanzoni A, Sola I, Sayago H, Riera C, Fisa R, Clos MV, Pérez B, Kelly JM, Lavilla R, Muñoz-Torrero D.: Multicomponent reaction-based synthesis and biological evaluation of tricyclic heterofused quinolines with multi-trypanosomatid activity. Eur J Med Chem, Volume 105, 2015";ChEMBL
MM472992;MM472992;CC1CCN(C(=O)c2ccc3cc(OCCCN4CCCCC4)ccc3c2)CC1;PXUAIMJAHKAYPP-UHFFFAOYSA-N;394.56;4.97;;;;;GENER;EPAM;25;0;"<a href=https://www.ebi.ac.uk/chembl/assay_report_card/CHEMBL1055927/  target=_blank>CHEMBL1055927</a>";;;;;;;;;-5.59;;;;;;;;;;;;"Rodríguez Sarmiento RM, Nettekoven MH, Taylor S, Plancher JM, Richter H, Roche O.: Selective naphthalene H(3) receptor inverse agonists with reduced potential to induce phospholipidosis and their quinoline analogs. Bioorg Med Chem Lett, Volume 19 (15), 2009";ChEMBL
MM472524;MM472524;COc1cccc(C(=O)NN(C(=O)c2cc(C)cc(C)c2)C(C)(C)C)c1C;;368.48;4.21;;;;CHEMBL55772;GENER;EPAM;25;0;"<a href=https://www.ebi.ac.uk/chembl/assay_report_card/CHEMBL905612/  target=_blank>CHEMBL905612</a>";;;;;;;;;-4.72;;;;;;;;;;;;"Fujikawa M, Nakao K, Shimizu R, Akamatsu M.: QSAR study on permeability of hydrophobic compounds with artificial membranes. Bioorg Med Chem, Volume 15 (11), 3756-3767, 2007";ChEMBL
MM474206;MM474206;NCc1ccc(-c2nc3ccc(Cl)cc3c3c2CCCCN3)cc1;PYNYUAVRLFUISX-UHFFFAOYSA-N;337.85;4.76;;;;;BBB;EPAM;25;0;"<a href=https://www.ebi.ac.uk/chembl/assay_report_card/CHEMBL3743395/  target=_blank>CHEMBL3743395</a>";;;;;;;;;-4.94;;;;;;;;;;;;"Di Pietro O, Vicente-García E, Taylor MC, Berenguer D, Viayna E, Lanzoni A, Sola I, Sayago H, Riera C, Fisa R, Clos MV, Pérez B, Kelly JM, Lavilla R, Muñoz-Torrero D.: Multicomponent reaction-based synthesis and biological evaluation of tricyclic heterofused quinolines with multi-trypanosomatid activity. Eur J Med Chem, Volume 105, 2015";ChEMBL
MM472524;MM472524;COc1cccc(C(=O)NN(C(=O)c2cc(C)cc(C)c2)C(C)(C)C)c1C;;368.48;4.21;;;;CHEMBL55772;GENER;EPAM;25;0;"<a href=https://www.ebi.ac.uk/chembl/assay_report_card/CHEMBL3066824/  target=_blank>CHEMBL3066824</a>";;;;;;;;;-4.72;;;;;;;;;;;;"Akamatsu M.: Importance of physicochemical properties for the design of new pesticides. J Agric Food Chem, Volume 59 (7), 2011";ChEMBL
MM474204;MM474204;NCc1ccc(-c2nc3ccc(Cl)cc3c3c2CCN3)cc1;WYWTTYYXMZXPHD-UHFFFAOYSA-N;309.8;3.98;;;;;BBB;EPAM;25;0;"<a href=https://www.ebi.ac.uk/chembl/assay_report_card/CHEMBL3743395/  target=_blank>CHEMBL3743395</a>";;;;;;;;;-5.13;;;;;;;;;;;;"Di Pietro O, Vicente-García E, Taylor MC, Berenguer D, Viayna E, Lanzoni A, Sola I, Sayago H, Riera C, Fisa R, Clos MV, Pérez B, Kelly JM, Lavilla R, Muñoz-Torrero D.: Multicomponent reaction-based synthesis and biological evaluation of tricyclic heterofused quinolines with multi-trypanosomatid activity. Eur J Med Chem, Volume 105, 2015";ChEMBL
MM471481;MM471481;CCCCCCSc1cc(Cl)c(C(=O)CCN2CCOCC2)c(Cl)c1;QEIBGAYGXNALFP-UHFFFAOYSA-N;404.4;5.57;44185856;;;CHEMBL557906;GENER;EPAM;25;0;"ph = 7.4, <a href=https://www.ebi.ac.uk/chembl/assay_report_card/CHEMBL1034536/  target=_blank>CHEMBL1034536</a>";;;;;;;;;-5;;;;;;;;;;;;"Hwang JY, Arnold LA, Zhu F, Kosinski A, Mangano TJ, Setola V, Roth BL, Guy RK.: Improvement of pharmacological properties of irreversible thyroid receptor coactivator binding inhibitors. J Med Chem, Volume 52 (13), 2009";ChEMBL
MM474201;MM474201;N#Cc1ccc(-c2nc3ccc(Cl)cc3c3c2CCCN3)cc1;OJNCFYUXZFZWPX-UHFFFAOYSA-N;319.8;4.78;;;;;BBB;EPAM;25;0;"<a href=https://www.ebi.ac.uk/chembl/assay_report_card/CHEMBL3743395/  target=_blank>CHEMBL3743395</a>";;;;;;;;;-4.84;;;;;;;;;;;;"Di Pietro O, Vicente-García E, Taylor MC, Berenguer D, Viayna E, Lanzoni A, Sola I, Sayago H, Riera C, Fisa R, Clos MV, Pérez B, Kelly JM, Lavilla R, Muñoz-Torrero D.: Multicomponent reaction-based synthesis and biological evaluation of tricyclic heterofused quinolines with multi-trypanosomatid activity. Eur J Med Chem, Volume 105, 2015";ChEMBL
MM471485;MM471485;CCCCCCSc1cc(Cl)c(C(=O)CCN2CCN(S(=O)(=O)CC)CC2)c(Cl)c1;HCWMJBYRQCDHLK-UHFFFAOYSA-N;495.54;5.21;44186561;;;CHEMBL558298;GENER;EPAM;25;0;"ph = 7.4, <a href=https://www.ebi.ac.uk/chembl/assay_report_card/CHEMBL1034536/  target=_blank>CHEMBL1034536</a>";;;;;;;;;-4.3;;;;;;;;;;;;"Hwang JY, Arnold LA, Zhu F, Kosinski A, Mangano TJ, Setola V, Roth BL, Guy RK.: Improvement of pharmacological properties of irreversible thyroid receptor coactivator binding inhibitors. J Med Chem, Volume 52 (13), 2009";ChEMBL
MM474208;MM474208;N#Cc1ccc(-c2nc3cc(Cl)ccc3cc2CCCN)cc1;OAJYBGDVSDOBFV-UHFFFAOYSA-N;321.81;4.32;;;;;BBB;EPAM;25;0;"<a href=https://www.ebi.ac.uk/chembl/assay_report_card/CHEMBL3743395/  target=_blank>CHEMBL3743395</a>";;;;;;;;;-4.74;;;;;;;;;;;;"Di Pietro O, Vicente-García E, Taylor MC, Berenguer D, Viayna E, Lanzoni A, Sola I, Sayago H, Riera C, Fisa R, Clos MV, Pérez B, Kelly JM, Lavilla R, Muñoz-Torrero D.: Multicomponent reaction-based synthesis and biological evaluation of tricyclic heterofused quinolines with multi-trypanosomatid activity. Eur J Med Chem, Volume 105, 2015";ChEMBL
MM474400;MM474400;CC(C(=O)NCCc1ccc(O)cc1)c1cccc(C(=O)c2ccccc2)c1;COWWJJYAVDPTMJ-UHFFFAOYSA-N;373.45;4.09;44191206;;;CHEMBL558753;GENER;EPAM;25;0;"<a href=https://www.ebi.ac.uk/chembl/assay_report_card/CHEMBL1176651/  target=_blank>CHEMBL1176651</a>";;;;;;;;;-4.22;;;;;;;;;;;;"Mahindroo N, Connelly MC, Punchihewa C, Yang L, Yan B, Fujii N.: Amide conjugates of ketoprofen and indole as inhibitors of Gli1-mediated transcription in the Hedgehog pathway. Bioorg Med Chem, Volume 18 (13), 2010";ChEMBL
MM474212;MM474212;Clc1ccc2nc(-c3ccco3)c3c(c2c1)OCCC3;BFMQSUPGWMPWDQ-UHFFFAOYSA-N;285.73;4.47;;;;;BBB;EPAM;25;0;"<a href=https://www.ebi.ac.uk/chembl/assay_report_card/CHEMBL3743395/  target=_blank>CHEMBL3743395</a>";;;;;;;;;-5.46;;;;;;;;;;;;"Di Pietro O, Vicente-García E, Taylor MC, Berenguer D, Viayna E, Lanzoni A, Sola I, Sayago H, Riera C, Fisa R, Clos MV, Pérez B, Kelly JM, Lavilla R, Muñoz-Torrero D.: Multicomponent reaction-based synthesis and biological evaluation of tricyclic heterofused quinolines with multi-trypanosomatid activity. Eur J Med Chem, Volume 105, 2015";ChEMBL
MM473299;MM473299;COc1cc2c(cc1C(C)=O)CC[C@H]1C(C)(C)[C@@H](OC(=O)C(F)(F)F)CC[C@]21C;YZBQCSHZYQACQN-BBTUJRGHSA-N;412.45;5.01;;;;;BBB;EPAM;25;0;"<a href=https://www.ebi.ac.uk/chembl/assay_report_card/CHEMBL3744986/  target=_blank>CHEMBL3744986</a>";;;;;;;;;-5.14;;;;;;;;;;;;"Wang YY, Gao YX, Gao W, Xu Y, Xu YZ, Wang YJ, Chang S, Yu LG, Zhang LY, Liao H, Yang LF, Pang T, Qiu WW.: Design, synthesis and biological evaluation of tricyclic diterpene derivatives as novel neuroprotective agents against ischemic brain injury. Eur J Med Chem, Volume 103, 2015";ChEMBL
MM473747;MM473747;O=C(NCC(NS(=O)(=O)c1cccc(Cl)c1Cl)C(=O)O)c1ccsc1;VKUPUJBOOYACFB-SNVBAGLBSA-N;423.3;2.22;45273612;;;CHEMBL558917;GENER;EPAM;25;0;"<a href=https://www.ebi.ac.uk/chembl/assay_report_card/CHEMBL1053406/  target=_blank>CHEMBL1053406</a>";;;;;;;;;-7.34;;;;;;;;;;;;"Elliot D, Henshaw E, MacFaul PA, Morley AD, Newham P, Oldham K, Page K, Rankine N, Sharpe P, Ting A, Wood CM.: Novel inhibitors of the alphavbeta3 integrin--lead identification strategy. Bioorg Med Chem Lett, Volume 19 (16), 2009";ChEMBL
MM472987;MM472987;COC(=O)C1CCN(c2ccc3c(=O)n(C(c4ccccc4)c4ccccc4)c(=O)n(CC=CCOc4ccc(C(=O)O)cc4)c3c2)CC1;IQFLLOYPBGABOZ-CMDGGOBGSA-N;659.74;5.52;45269211;;;CHEMBL559347;GENER;EPAM;25;0;"<a href=https://www.ebi.ac.uk/chembl/assay_report_card/CHEMBL1059836/  target=_blank>CHEMBL1059836</a>";;;;;;;;;-6;;;;;;;;;;;;"Kirincich SJ, Xiang J, Green N, Tam S, Yang HY, Shim J, Shen MW, Clark JD, McKew JC.: Benzhydrylquinazolinediones: novel cytosolic phospholipase A2alpha inhibitors with improved physicochemical properties. Bioorg Med Chem, Volume 17 (13), 2009";ChEMBL
MM473760;MM473760;CC(=O)N1CCN(C)CC1(C)c1nc(C(=O)NCc2ccc(F)cc2)c(O)c(=O)[nH]1;ZJNVQCQCAACIOY-UHFFFAOYSA-N;417.44;0.55;135598609;;;CHEMBL559492;GENER;EPAM;25;0;"<a href=https://www.ebi.ac.uk/chembl/assay_report_card/CHEMBL1060104/  target=_blank>CHEMBL1060104</a>";;;;;;;;;-4.67;;;;;;;;;;;;"Nizi E, Orsale MV, Crescenzi B, Pescatore G, Muraglia E, Alfieri A, Gardelli C, Spieser SA, Summa V.: Dihydroxy-pyrimidine and N-methylpyrimidone HIV-integrase inhibitors: improving cell based activity by the quaternarization of a chiral center. Bioorg Med Chem Lett, Volume 19 (16), 2009";ChEMBL
MM474210;MM474210;N#Cc1ccc(-c2nc3ccc(Cl)cc3c3c2CCCO3)cc1;HTYRCONGVMKUQO-UHFFFAOYSA-N;320.78;4.75;;;;;BBB;EPAM;25;0;"<a href=https://www.ebi.ac.uk/chembl/assay_report_card/CHEMBL3743395/  target=_blank>CHEMBL3743395</a>";;;;;;;;;-4.53;;;;;;;;;;;;"Di Pietro O, Vicente-García E, Taylor MC, Berenguer D, Viayna E, Lanzoni A, Sola I, Sayago H, Riera C, Fisa R, Clos MV, Pérez B, Kelly JM, Lavilla R, Muñoz-Torrero D.: Multicomponent reaction-based synthesis and biological evaluation of tricyclic heterofused quinolines with multi-trypanosomatid activity. Eur J Med Chem, Volume 105, 2015";ChEMBL
MM474207;MM474207;NCc1ccc(-c2nc3cc(Cl)ccc3c3c2CCCN3)cc1;HFKRVZVGYAAJNR-UHFFFAOYSA-N;323.83;4.37;;;;;BBB;EPAM;25;0;"<a href=https://www.ebi.ac.uk/chembl/assay_report_card/CHEMBL3743395/  target=_blank>CHEMBL3743395</a>";;;;;;;;;-5.4;;;;;;;;;;;;"Di Pietro O, Vicente-García E, Taylor MC, Berenguer D, Viayna E, Lanzoni A, Sola I, Sayago H, Riera C, Fisa R, Clos MV, Pérez B, Kelly JM, Lavilla R, Muñoz-Torrero D.: Multicomponent reaction-based synthesis and biological evaluation of tricyclic heterofused quinolines with multi-trypanosomatid activity. Eur J Med Chem, Volume 105, 2015";ChEMBL
MM473770;MM473770;Cc1nc(C)c(C(=O)N2CCCCC2c2nc(C(=O)NCc3ccc(F)cc3)c(O)c(=O)[nH]2)s1;PRWHXEBMSODDSY-UHFFFAOYSA-N;485.54;2.99;135598605;;;CHEMBL559493;GENER;EPAM;25;0;"<a href=https://www.ebi.ac.uk/chembl/assay_report_card/CHEMBL1060104/  target=_blank>CHEMBL1060104</a>";;;;;;;;;-5.24;;;;;;;;;;;;"Nizi E, Orsale MV, Crescenzi B, Pescatore G, Muraglia E, Alfieri A, Gardelli C, Spieser SA, Summa V.: Dihydroxy-pyrimidine and N-methylpyrimidone HIV-integrase inhibitors: improving cell based activity by the quaternarization of a chiral center. Bioorg Med Chem Lett, Volume 19 (16), 2009";ChEMBL
MM473847;MM473847;O=C(O)C1CN(Cc2ccc(OCc3ccc(Cl)c(Cl)c3)cc2)C1;WAAWETUDFSIYSD-UHFFFAOYSA-N;366.24;4.09;;;;;BBB;EPAM;25;0;"<a href=https://www.ebi.ac.uk/chembl/assay_report_card/CHEMBL3744421/  target=_blank>CHEMBL3744421</a>";;;;;;;;;0.43;;;;;;;;;;;;"Hobson AD, Harris CM, van der Kam EL, Turner SC, Abibi A, Aguirre AL, Bousquet P, Kebede T, Konopacki DB, Gintant G, Kim Y, Larson K, Maull JW, Moore NS, Shi D, Shrestha A, Tang X, Zhang P, Sarris KK.: Discovery of A-971432, An Orally Bioavailable Selective Sphingosine-1-Phosphate Receptor 5 (S1P5) Agonist for the Potential Treatment of Neurodegenerative Disorders. J Med Chem, Volume 58 (23), 2015";ChEMBL
MM471486;MM471486;CCCCCCSc1ccc(C(=O)CCN2CC2C)c(Cl)c1Cl;APGLOJXHKLCBCF-UHFFFAOYSA-N;374.38;5.94;44186652;;;CHEMBL559521;GENER;EPAM;25;0;"ph = 7.4, <a href=https://www.ebi.ac.uk/chembl/assay_report_card/CHEMBL1034536/  target=_blank>CHEMBL1034536</a>";;;;;;;;;-4.15;;;;;;;;;;;;"Hwang JY, Arnold LA, Zhu F, Kosinski A, Mangano TJ, Setola V, Roth BL, Guy RK.: Improvement of pharmacological properties of irreversible thyroid receptor coactivator binding inhibitors. J Med Chem, Volume 52 (13), 2009";ChEMBL
MM471497;MM471497;CCCCCCSc1ccc(C(=O)CCN2CCOCC2)c(Cl)c1Cl;ITQVSIWATSZQNW-UHFFFAOYSA-N;404.4;5.57;44186514;;;CHEMBL559522;GENER;EPAM;25;0;"ph = 7.4, <a href=https://www.ebi.ac.uk/chembl/assay_report_card/CHEMBL1034536/  target=_blank>CHEMBL1034536</a>";;;;;;;;;-3.77;;;;;;;;;;;;"Hwang JY, Arnold LA, Zhu F, Kosinski A, Mangano TJ, Setola V, Roth BL, Guy RK.: Improvement of pharmacological properties of irreversible thyroid receptor coactivator binding inhibitors. J Med Chem, Volume 52 (13), 2009";ChEMBL
MM474216;MM474216;N#CCCc1cc2cc(Cl)ccc2nc1-c1cccs1;WNOTZTPYZAXBLY-UHFFFAOYSA-N;298.8;5.07;;;;;BBB;EPAM;25;0;"<a href=https://www.ebi.ac.uk/chembl/assay_report_card/CHEMBL3743395/  target=_blank>CHEMBL3743395</a>";;;;;;;;;-4.75;;;;;;;;;;;;"Di Pietro O, Vicente-García E, Taylor MC, Berenguer D, Viayna E, Lanzoni A, Sola I, Sayago H, Riera C, Fisa R, Clos MV, Pérez B, Kelly JM, Lavilla R, Muñoz-Torrero D.: Multicomponent reaction-based synthesis and biological evaluation of tricyclic heterofused quinolines with multi-trypanosomatid activity. Eur J Med Chem, Volume 105, 2015";ChEMBL
MM474416;MM474416;COC(=O)C(C)NP(=O)(OCC1OC(n2ccc(=O)[nH]c2=O)C(C)(F)C1O)Oc1ccccc1;SASYBZIIPQSWBV-HJDNSYGMSA-N;501.4;0.88;45268391;;;CHEMBL560329;GENER;EPAM;25;0;"<a href=https://www.ebi.ac.uk/chembl/assay_report_card/CHEMBL1261497/  target=_blank>CHEMBL1261497</a>";;;;;;;;;-8.15;;;;;;;;;;;;"Sofia MJ, Bao D, Chang W, Du J, Nagarathnam D, Rachakonda S, Reddy PG, Ross BS, Wang P, Zhang HR, Bansal S, Espiritu C, Keilman M, Lam AM, Steuer HM, Niu C, Otto MJ, Furman PA.: Discovery of a β-d-2'-deoxy-2'-α-fluoro-2'-β-C-methyluridine nucleotide prodrug (PSI-7977) for the treatment of hepatitis C virus. J Med Chem, Volume 53 (19), 2010";ChEMBL
MM472908;MM472908;CCOC(=O)C1=C(C)Nc2nc3c(c(N)c2C1c1ccc(OC)cc1)CCCC3;ZNRGREFWBCWZAU-UHFFFAOYSA-N;393.49;3.95;16098498;;;CHEMBL374184;BBB;EPAM;25;0;"<a href=https://www.ebi.ac.uk/chembl/assay_report_card/CHEMBL1004514/  target=_blank>CHEMBL1004514</a>";;;;;;;;;-4.89;;;;;;;;;;;;"Marco-Contelles J, León R, de los Ríos C, Samadi A, Bartolini M, Andrisano V, Huertas O, Barril X, Luque FJ, Rodríguez-Franco MI, López B, López MG, García AG, Carreiras Mdo C, Villarroya M.: Tacripyrines, the first tacrine-dihydropyridine hybrids, as multitarget-directed ligands for the treatment of Alzheimer's disease. J Med Chem, Volume 52 (9), 2009";ChEMBL
MM474199;MM474199;NCc1ccc(-c2nc3ccc(Cl)cc3c3c2CCCN3Cc2ccccc2)cc1;HXLMJVCDXJRRBY-UHFFFAOYSA-N;413.95;5.97;;;;;BBB;EPAM;25;0;"<a href=https://www.ebi.ac.uk/chembl/assay_report_card/CHEMBL3743395/  target=_blank>CHEMBL3743395</a>";;;;;;;;;-5.13;;;;;;;;;;;;"Di Pietro O, Vicente-García E, Taylor MC, Berenguer D, Viayna E, Lanzoni A, Sola I, Sayago H, Riera C, Fisa R, Clos MV, Pérez B, Kelly JM, Lavilla R, Muñoz-Torrero D.: Multicomponent reaction-based synthesis and biological evaluation of tricyclic heterofused quinolines with multi-trypanosomatid activity. Eur J Med Chem, Volume 105, 2015";ChEMBL
MM471490;MM471490;CCCCCCSc1ccc(C(=O)CCN(C)C)c(Cl)c1Cl;DGPOADAMPHAWGG-UHFFFAOYSA-N;362.37;5.8;44186513;;;CHEMBL560568;GENER;EPAM;25;0;"ph = 7.4, <a href=https://www.ebi.ac.uk/chembl/assay_report_card/CHEMBL1034536/  target=_blank>CHEMBL1034536</a>";;;;;;;;;-3.85;;;;;;;;;;;;"Hwang JY, Arnold LA, Zhu F, Kosinski A, Mangano TJ, Setola V, Roth BL, Guy RK.: Improvement of pharmacological properties of irreversible thyroid receptor coactivator binding inhibitors. J Med Chem, Volume 52 (13), 2009";ChEMBL
MM471480;MM471480;CCCCNC(=O)Nc1ccc(C(=O)CCN(C)C)cc1;QNUZULQSJOIIBQ-UHFFFAOYSA-N;291.4;2.74;44186563;;;CHEMBL560675;GENER;EPAM;25;0;"ph = 7.4, <a href=https://www.ebi.ac.uk/chembl/assay_report_card/CHEMBL1034536/  target=_blank>CHEMBL1034536</a>";;;;;;;;;-5;;;;;;;;;;;;"Hwang JY, Arnold LA, Zhu F, Kosinski A, Mangano TJ, Setola V, Roth BL, Guy RK.: Improvement of pharmacological properties of irreversible thyroid receptor coactivator binding inhibitors. J Med Chem, Volume 52 (13), 2009";ChEMBL
MM474203;MM474203;N#Cc1ccc(-c2nc3cc(Cl)ccc3c3c2CCCN3)cc1;UEQQSUPEYPUIBA-UHFFFAOYSA-N;319.8;4.78;;;;;BBB;EPAM;25;0;"<a href=https://www.ebi.ac.uk/chembl/assay_report_card/CHEMBL3743395/  target=_blank>CHEMBL3743395</a>";;;;;;;;;-4.79;;;;;;;;;;;;"Di Pietro O, Vicente-García E, Taylor MC, Berenguer D, Viayna E, Lanzoni A, Sola I, Sayago H, Riera C, Fisa R, Clos MV, Pérez B, Kelly JM, Lavilla R, Muñoz-Torrero D.: Multicomponent reaction-based synthesis and biological evaluation of tricyclic heterofused quinolines with multi-trypanosomatid activity. Eur J Med Chem, Volume 105, 2015";ChEMBL
MM473772;MM473772;CC(=O)N1CCN(C)CC1c1nc(C(=O)NCc2ccc(F)cc2)c(O)c(=O)[nH]1;NPQLJDQNIHSLCI-UHFFFAOYSA-N;403.41;0.38;135965939;;;CHEMBL560944;GENER;EPAM;25;0;"<a href=https://www.ebi.ac.uk/chembl/assay_report_card/CHEMBL1060104/  target=_blank>CHEMBL1060104</a>";;;;;;;;;-6.4;;;;;;;;;;;;"Nizi E, Orsale MV, Crescenzi B, Pescatore G, Muraglia E, Alfieri A, Gardelli C, Spieser SA, Summa V.: Dihydroxy-pyrimidine and N-methylpyrimidone HIV-integrase inhibitors: improving cell based activity by the quaternarization of a chiral center. Bioorg Med Chem Lett, Volume 19 (16), 2009";ChEMBL
MM474214;MM474214;OCCCc1cc2cc(Cl)ccc2nc1-c1ccco1;DLAMLJADWCYVLL-UHFFFAOYSA-N;287.75;4.07;;;;;BBB;EPAM;25;0;"<a href=https://www.ebi.ac.uk/chembl/assay_report_card/CHEMBL3743395/  target=_blank>CHEMBL3743395</a>";;;;;;;;;-4.99;;;;;;;;;;;;"Di Pietro O, Vicente-García E, Taylor MC, Berenguer D, Viayna E, Lanzoni A, Sola I, Sayago H, Riera C, Fisa R, Clos MV, Pérez B, Kelly JM, Lavilla R, Muñoz-Torrero D.: Multicomponent reaction-based synthesis and biological evaluation of tricyclic heterofused quinolines with multi-trypanosomatid activity. Eur J Med Chem, Volume 105, 2015";ChEMBL
Lomefloxacin;MM00764;CCn1cc(C(=O)O)c(=O)c2cc(F)c(N3CCNC(C)C3)c(F)c21;ZEKZLJVOYLTDKK-UHFFFAOYSA-N;351.35;1.8;3948;DB00978;;CHEMBL561;GENER;EPAM;25;0;"ph = 6.5, <a href=https://www.ebi.ac.uk/chembl/assay_report_card/CHEMBL1046150/  target=_blank>CHEMBL1046150</a>";;;;;;;;;-4.82;;;;;;;;;;;;"Tam KY, Avdeef A, Tsinman O, Sun N.: The permeation of amphoteric drugs through artificial membranes--an in combo absorption model based on paracellular and transmembrane permeability. J Med Chem, Volume 53 (1), 392-401, 2010";ChEMBL
MM474205;MM474205;NCc1ccc(-c2nc3ccc(Cl)cc3c3c2CCCN3)cc1;DYVNZBSKMJYRIE-UHFFFAOYSA-N;323.83;4.37;;;;;BBB;EPAM;25;0;"<a href=https://www.ebi.ac.uk/chembl/assay_report_card/CHEMBL3743395/  target=_blank>CHEMBL3743395</a>";;;;;;;;;-5.34;;;;;;;;;;;;"Di Pietro O, Vicente-García E, Taylor MC, Berenguer D, Viayna E, Lanzoni A, Sola I, Sayago H, Riera C, Fisa R, Clos MV, Pérez B, Kelly JM, Lavilla R, Muñoz-Torrero D.: Multicomponent reaction-based synthesis and biological evaluation of tricyclic heterofused quinolines with multi-trypanosomatid activity. Eur J Med Chem, Volume 105, 2015";ChEMBL
MM471482;MM471482;CCCCCCSc1cc(Cl)c(C(=O)CCN2CCN(S(=O)(=O)CC)CC2)cc1Cl;OJASFOKEQJZOBK-UHFFFAOYSA-N;495.54;5.21;;;;;GENER;EPAM;25;0;"ph = 7.4, <a href=https://www.ebi.ac.uk/chembl/assay_report_card/CHEMBL1034536/  target=_blank>CHEMBL1034536</a>";;;;;;;;;-4.7;;;;;;;;;;;;"Hwang JY, Arnold LA, Zhu F, Kosinski A, Mangano TJ, Setola V, Roth BL, Guy RK.: Improvement of pharmacological properties of irreversible thyroid receptor coactivator binding inhibitors. J Med Chem, Volume 52 (13), 2009";ChEMBL
MM471992;MM471992;O=c1oc2cc(OCCNC3CCN(Cc4ccccc4)CC3)ccc2c2c1CCCC2;QZRBOLHGJBENEV-UHFFFAOYSA-N;432.56;4.3;127026192;;;CHEMBL3763535;BBB;EPAM;25;0;"ph = 7.4, <a href=https://www.ebi.ac.uk/chembl/assay_report_card/CHEMBL3767515/  target=_blank>CHEMBL3767515</a>";;;;;;;;;-4.79;;;;;;;;;;;;"Xie SS, Lan JS, Wang X, Wang ZM, Jiang N, Li F, Wu JJ, Wang J, Kong LY.: Design, synthesis and biological evaluation of novel donepezil-coumarin hybrids as multi-target agents for the treatment of Alzheimer's disease. Bioorg Med Chem, Volume 24 (7), 2016";ChEMBL
MM471488;MM471488;CCCCCCS(=O)(=O)c1cc(Cl)c(C(=O)CCN(C)C)cc1Cl;HHHRTHAUTLVXEZ-UHFFFAOYSA-N;394.36;4.48;44186656;;;CHEMBL561569;GENER;EPAM;25;0;"ph = 7.4, <a href=https://www.ebi.ac.uk/chembl/assay_report_card/CHEMBL1034536/  target=_blank>CHEMBL1034536</a>";;;;;;;;;-4.05;;;;;;;;;;;;"Hwang JY, Arnold LA, Zhu F, Kosinski A, Mangano TJ, Setola V, Roth BL, Guy RK.: Improvement of pharmacological properties of irreversible thyroid receptor coactivator binding inhibitors. J Med Chem, Volume 52 (13), 2009";ChEMBL
MM471495;MM471495;CCCCCCS(=O)(=O)c1ccc(C(=O)CCN2CC2C)c(Cl)c1;HXLHSQSKXGQBDL-UHFFFAOYSA-N;371.93;3.97;44186603;;;CHEMBL561573;GENER;EPAM;25;0;"ph = 7.4, <a href=https://www.ebi.ac.uk/chembl/assay_report_card/CHEMBL1034536/  target=_blank>CHEMBL1034536</a>";;;;;;;;;-3.8;;;;;;;;;;;;"Hwang JY, Arnold LA, Zhu F, Kosinski A, Mangano TJ, Setola V, Roth BL, Guy RK.: Improvement of pharmacological properties of irreversible thyroid receptor coactivator binding inhibitors. J Med Chem, Volume 52 (13), 2009";ChEMBL
MM471492;MM471492;CCCCCCOc1ccc(-c2ccc(C(=O)CCN(C)C)cc2)cc1;MNCVIWUMQIDQDU-UHFFFAOYSA-N;353.51;5.45;44186232;;;CHEMBL561653;GENER;EPAM;25;0;"ph = 7.4, <a href=https://www.ebi.ac.uk/chembl/assay_report_card/CHEMBL1034536/  target=_blank>CHEMBL1034536</a>";;;;;;;;;-3.82;;;;;;;;;;;;"Hwang JY, Arnold LA, Zhu F, Kosinski A, Mangano TJ, Setola V, Roth BL, Guy RK.: Improvement of pharmacological properties of irreversible thyroid receptor coactivator binding inhibitors. J Med Chem, Volume 52 (13), 2009";ChEMBL
MM472983;MM472983;Cc1ccc2c(=O)n(C(c3ccccc3)c3ccccc3)c(=O)n(CC=CCOc3ccc(C(=O)O)cc3)c2c1;FFTITOILIQABQD-CMDGGOBGSA-N;532.6;5.44;45269217;;;CHEMBL561993;GENER;EPAM;25;0;"<a href=https://www.ebi.ac.uk/chembl/assay_report_card/CHEMBL1059836/  target=_blank>CHEMBL1059836</a>";;;;;;;;;-5.7;;;;;;;;;;;;"Kirincich SJ, Xiang J, Green N, Tam S, Yang HY, Shim J, Shen MW, Clark JD, McKew JC.: Benzhydrylquinazolinediones: novel cytosolic phospholipase A2alpha inhibitors with improved physicochemical properties. Bioorg Med Chem, Volume 17 (13), 2009";ChEMBL
Chembl562476;MM469505;CNC[C@@H](O)[C@H](c1ccccc1)n1ccc2ccccc21;ANOKEIWYHCYLAM-MSOLQXFVSA-N;280.37;2.81;;;;Chembl562476;GENER;EPAM;25;0;"<a href=https://www.ebi.ac.uk/chembl/assay_report_card/CHEMBL1038305/  target=_blank>CHEMBL1038305</a>";;;;;;;;;-5.34;;;;;;;;;;;;"Kim CY, Mahaney PE, McConnell O, Zhang Y, Manas E, Ho DM, Deecher DC, Trybulski EJ.: Discovery of a new series of monoamine reuptake inhibitors, the 1-amino-3-(1H-indol-1-yl)-3-phenylpropan-2-ols. Bioorg Med Chem Lett, Volume 19 (17), 2009";ChEMBL
MM473526;MM473526;"COc1ccc(/N=C2\C(=O)Nc3ccccc32)cc1";PXSATUQXASGWQE-UHFFFAOYSA-N;252.27;2.77;;;;;BBB;EPAM;25;0;"<a href=https://www.ebi.ac.uk/chembl/assay_report_card/CHEMBL4192183/  target=_blank>CHEMBL4192183</a>";;;;;;;;;-5.23;;;;;;;;;;;;"Salado IG, Zaldivar-Diez J, Sebastián-Pérez V, Li L, Geiger L, González S, Campillo NE, Gil C, Morales AV, Perez DI, Martinez A.: Leucine rich repeat kinase 2 (LRRK2) inhibitors based on indolinone scaffold: Potential pro-neurogenic agents. Eur J Med Chem, Volume 138, 2017";ChEMBL
MM473759;MM473759;CN1CCCCC1(C)c1nc(C(=O)NCc2ccc(F)cc2)c(O)c(=O)n1C;JIVXNDNOKBOVOD-UHFFFAOYSA-N;388.44;1.89;54735570;;;CHEMBL562482;GENER;EPAM;25;0;"<a href=https://www.ebi.ac.uk/chembl/assay_report_card/CHEMBL1060104/  target=_blank>CHEMBL1060104</a>";;;;;;;;;-4.82;;;;;;;;;;;;"Nizi E, Orsale MV, Crescenzi B, Pescatore G, Muraglia E, Alfieri A, Gardelli C, Spieser SA, Summa V.: Dihydroxy-pyrimidine and N-methylpyrimidone HIV-integrase inhibitors: improving cell based activity by the quaternarization of a chiral center. Bioorg Med Chem Lett, Volume 19 (16), 2009";ChEMBL
MM473763;MM473763;CN1CCN(S(=O)(=O)N(C)C)CC1(C)c1nc(C(=O)NCc2ccc(F)cc2)c(O)c(=O)n1C;JDWXOQZIHBLXRS-UHFFFAOYSA-N;496.57;-0.18;54736248;;;CHEMBL562595;GENER;EPAM;25;0;"<a href=https://www.ebi.ac.uk/chembl/assay_report_card/CHEMBL1060104/  target=_blank>CHEMBL1060104</a>";;;;;;;;;-4.24;;;;;;;;;;;;"Nizi E, Orsale MV, Crescenzi B, Pescatore G, Muraglia E, Alfieri A, Gardelli C, Spieser SA, Summa V.: Dihydroxy-pyrimidine and N-methylpyrimidone HIV-integrase inhibitors: improving cell based activity by the quaternarization of a chiral center. Bioorg Med Chem Lett, Volume 19 (16), 2009";ChEMBL
MM472980;MM472980;O=C(NC1CC2CCC(C1)N2Cc1ccc2cc(F)ccc2c1)c1cc[n+]([O-])cc1C(=O)N1CCCCC1;SBJLPUIBYIEHFY-UHFFFAOYSA-N;516.62;4.16;;;;;GENER;EPAM;25;+1,-1;"<a href=https://www.ebi.ac.uk/chembl/assay_report_card/CHEMBL1055681/  target=_blank>CHEMBL1055681</a>";;;;;;;;;-5.33;;;;;;;;;;;;"Sato I, Morihira K, Inami H, Kubota H, Morokata T, Suzuki K, Ohno K, Iura Y, Nitta A, Imaoka T, Takahashi T, Takeuchi M, Ohta M, Tsukamoto S.: Synthesis, biological evaluation, and metabolic stability of acrylamide derivatives as novel CCR3 antagonists. Bioorg Med Chem, Volume 17 (16), 2009";ChEMBL
MM473766;MM473766;CC(=O)N1CCCC1c1nc(C(=O)NCc2ccc(F)cc2)c(O)c(=O)[nH]1;UTWNIOAXAGJMTO-UHFFFAOYSA-N;374.37;1.23;135965909;;;CHEMBL563628;GENER;EPAM;25;0;"<a href=https://www.ebi.ac.uk/chembl/assay_report_card/CHEMBL1060104/  target=_blank>CHEMBL1060104</a>";;;;;;;;;-5.46;;;;;;;;;;;;"Nizi E, Orsale MV, Crescenzi B, Pescatore G, Muraglia E, Alfieri A, Gardelli C, Spieser SA, Summa V.: Dihydroxy-pyrimidine and N-methylpyrimidone HIV-integrase inhibitors: improving cell based activity by the quaternarization of a chiral center. Bioorg Med Chem Lett, Volume 19 (16), 2009";ChEMBL
MM473757;MM473757;CC(=O)N1CCCCC1(C)c1nc(C(=O)NCc2ccc(F)cc2)c(O)c(=O)[nH]1;OZQLTBGFEMVVPY-UHFFFAOYSA-N;402.43;1.79;135598610;;;CHEMBL563757;GENER;EPAM;25;0;"<a href=https://www.ebi.ac.uk/chembl/assay_report_card/CHEMBL1060104/  target=_blank>CHEMBL1060104</a>";;;;;;;;;-5.2;;;;;;;;;;;;"Nizi E, Orsale MV, Crescenzi B, Pescatore G, Muraglia E, Alfieri A, Gardelli C, Spieser SA, Summa V.: Dihydroxy-pyrimidine and N-methylpyrimidone HIV-integrase inhibitors: improving cell based activity by the quaternarization of a chiral center. Bioorg Med Chem Lett, Volume 19 (16), 2009";ChEMBL
MM473769;MM473769;CC(=O)N1CCCCC1c1nc(C(=O)NCc2ccc(F)cc2)c(O)c(=O)[nH]1;OSTKSXZFVKVFBY-UHFFFAOYSA-N;388.4;1.62;135601584;;;CHEMBL563898;GENER;EPAM;25;0;"<a href=https://www.ebi.ac.uk/chembl/assay_report_card/CHEMBL1060104/  target=_blank>CHEMBL1060104</a>";;;;;;;;;-5.43;;;;;;;;;;;;"Nizi E, Orsale MV, Crescenzi B, Pescatore G, Muraglia E, Alfieri A, Gardelli C, Spieser SA, Summa V.: Dihydroxy-pyrimidine and N-methylpyrimidone HIV-integrase inhibitors: improving cell based activity by the quaternarization of a chiral center. Bioorg Med Chem Lett, Volume 19 (16), 2009";ChEMBL
MM473764;MM473764;CN1CCN(S(C)(=O)=O)CC1(C)c1nc(C(=O)NCc2ccc(F)cc2)c(O)c(=O)n1C;ZUEYJJHLMMKJSS-UHFFFAOYSA-N;467.52;-0.02;54712030;;;CHEMBL564267;GENER;EPAM;25;0;"<a href=https://www.ebi.ac.uk/chembl/assay_report_card/CHEMBL1060104/  target=_blank>CHEMBL1060104</a>";;;;;;;;;-4.46;;;;;;;;;;;;"Nizi E, Orsale MV, Crescenzi B, Pescatore G, Muraglia E, Alfieri A, Gardelli C, Spieser SA, Summa V.: Dihydroxy-pyrimidine and N-methylpyrimidone HIV-integrase inhibitors: improving cell based activity by the quaternarization of a chiral center. Bioorg Med Chem Lett, Volume 19 (16), 2009";ChEMBL
MM473765;MM473765;O=C(NCc1ccc(F)cc1)c1nc(C2CCCN2)[nH]c(=O)c1O;ZLOFMAVYNFGKRE-UHFFFAOYSA-N;332.34;0.97;135446320;;;CHEMBL564984;GENER;EPAM;25;0;"<a href=https://www.ebi.ac.uk/chembl/assay_report_card/CHEMBL1060104/  target=_blank>CHEMBL1060104</a>";;;;;;;;;-6.15;;;;;;;;;;;;"Nizi E, Orsale MV, Crescenzi B, Pescatore G, Muraglia E, Alfieri A, Gardelli C, Spieser SA, Summa V.: Dihydroxy-pyrimidine and N-methylpyrimidone HIV-integrase inhibitors: improving cell based activity by the quaternarization of a chiral center. Bioorg Med Chem Lett, Volume 19 (16), 2009";ChEMBL
MM473755;MM473755;CC1(c2nc(C(=O)NCc3ccc(F)cc3)c(O)c(=O)[nH]2)CCCCN1;AWXUJSKCZCJLCA-UHFFFAOYSA-N;360.39;1.53;135966017;;;CHEMBL565220;GENER;EPAM;25;0;"<a href=https://www.ebi.ac.uk/chembl/assay_report_card/CHEMBL1060104/  target=_blank>CHEMBL1060104</a>";;;;;;;;;-5.72;;;;;;;;;;;;"Nizi E, Orsale MV, Crescenzi B, Pescatore G, Muraglia E, Alfieri A, Gardelli C, Spieser SA, Summa V.: Dihydroxy-pyrimidine and N-methylpyrimidone HIV-integrase inhibitors: improving cell based activity by the quaternarization of a chiral center. Bioorg Med Chem Lett, Volume 19 (16), 2009";ChEMBL
MM472373;MM472373;COc1cccc(CNC(=O)CC2(C)CC3(CCCCC3)OO2)c1;ONWYPTYCJIAWIY-UHFFFAOYSA-N;333.43;3.52;45484949;;;CHEMBL565361;GENER;EPAM;25;0;"ph = 6.5, <a href=https://www.ebi.ac.uk/chembl/assay_report_card/CHEMBL1045195/  target=_blank>CHEMBL1045195</a>";;;;;;;;;-4.19;;;;;;;;;;;;"Martyn DC, Beletsky G, Cortese JF, Tyndall E, Liu H, Fitzgerald MM, O'Shea TJ, Liang B, Clardy J.: Synthesis and in vitro DMPK profiling of a 1,2-dioxolane-based library with activity against Plasmodium falciparum. Bioorg Med Chem Lett, Volume 19 (19), 2009";ChEMBL
MM472616;MM472616;CN1CCN(c2nc(C3=C(c4c[nH]c5ccccc45)C(=O)NC3=O)c3ccccc3n2)CC1;OAVGBZOFDPFGPJ-UHFFFAOYSA-N;438.49;2.43;10296883;;;CHEMBL565612;GENER;EPAM;25;0;"<a href=https://www.ebi.ac.uk/chembl/assay_report_card/CHEMBL2156137/  target=_blank>CHEMBL2156137</a>";;;;;;;;;-5.3;;;;;;;;;;;;"Wagner J, von Matt P, Faller B, Cooke NG, Albert R, Sedrani R, Wiegand H, Jean C, Beerli C, Weckbecker G, Evenou JP, Zenke G, Cottens S.: Structure-activity relationship and pharmacokinetic studies of sotrastaurin (AEB071), a promising novel medicine for prevention of graft rejection and treatment of psoriasis. J Med Chem, Volume 54 (17), 2011";ChEMBL
MM473635;MM473635;O=C(C=Cc1cccnc1)NCCCCC1CCN(C(=O)c2ccccc2)CC1;KPBNHDGDUADAGP-VAWYXSNFSA-N;391.52;3.93;6914657;;;CHEMBL566757;GENER;EPAM;25;0;"<a href=https://www.ebi.ac.uk/chembl/assay_report_card/CHEMBL4312050/  target=_blank>CHEMBL4312050</a>";;;;;;;;;-4.4;;;;;;;;;;;;"Richardson PL, Marin VL, Koeniger SL, Baranczak A, Wilsbacher JL, Kovar PJ, Bacon-Trusk PE, Cheng M, Hopkins TA, Haman ST, Vasudevan A.: Controlling cellular distribution of drugs with permeability modifying moieties. Medchemcomm, Volume 10 (6), 2019";ChEMBL
MM473009;MM473009;Cc1c(Nc2c(C#N)cncc2C=Cc2cccc(OCCN3CCN(C)CC3)c2)ccc2[nH]ccc12;TUKOILYAIRACKC-VOTSOKGWSA-N;492.63;5.28;45485083;;;CHEMBL567124;GENER;EPAM;25;0;"<a href=https://www.ebi.ac.uk/chembl/assay_report_card/CHEMBL1039951/  target=_blank>CHEMBL1039951</a>";;;;;;;;;-5.48;;;;;;;;;;;;"Niu C, Boschelli DH, Tumey LN, Bhagirath N, Subrath J, Shim J, Wang Y, Wu B, Eid C, Lee J, Yang X, Brennan A, Chaudhary D.: First generation 5-vinyl-3-pyridinecarbonitrile PKCtheta inhibitors. Bioorg Med Chem Lett, Volume 19 (20), 2009";ChEMBL
MM473003;MM473003;CNc1nc(NCc2ccc(NC(=O)c3ccc(F)cc3)cc2)c2cc(C)ccc2n1;UFDQFCNUXSHUFA-UHFFFAOYSA-N;415.47;4.98;44818310;;;CHEMBL568799;GENER;EPAM;25;0;"<a href=https://www.ebi.ac.uk/chembl/assay_report_card/CHEMBL1047017/  target=_blank>CHEMBL1047017</a>";;;;;;;;;-5.89;;;;;;;;;;;;"Dehnhardt CM, Venkatesan AM, Chen Z, Ayral-Kaloustian S, Dos Santos O, Delos Santos E, Curran K, Follettie MT, Diesl V, Lucas J, Geng Y, Dejoy SQ, Petersen R, Chaudhary I, Brooijmans N, Mansour TS, Arndt K, Chen L.: Design and synthesis of novel diaminoquinazolines with in vivo efficacy for beta-catenin/T-cell transcriptional factor 4 pathway inhibition. J Med Chem, Volume 53 (2), 2010";ChEMBL
MM473001;MM473001;CNc1nc(NCc2ccc(NC(=O)c3ccc(C)cc3)cc2)c2ccccc2n1;YAZBQMNCOQXTIS-UHFFFAOYSA-N;397.48;4.84;25025912;;;CHEMBL568823;GENER;EPAM;25;0;"<a href=https://www.ebi.ac.uk/chembl/assay_report_card/CHEMBL1047017/  target=_blank>CHEMBL1047017</a>";;;;;;;;;-5.24;;;;;;;;;;;;"Dehnhardt CM, Venkatesan AM, Chen Z, Ayral-Kaloustian S, Dos Santos O, Delos Santos E, Curran K, Follettie MT, Diesl V, Lucas J, Geng Y, Dejoy SQ, Petersen R, Chaudhary I, Brooijmans N, Mansour TS, Arndt K, Chen L.: Design and synthesis of novel diaminoquinazolines with in vivo efficacy for beta-catenin/T-cell transcriptional factor 4 pathway inhibition. J Med Chem, Volume 53 (2), 2010";ChEMBL
MM473005;MM473005;CNc1nc(NCc2ccc(NC(=O)c3ccc(Cl)cc3)cc2)c2cc(C)ccc2n1;RGPXAJSDCKQSRK-UHFFFAOYSA-N;431.93;5.5;25025710;;;CHEMBL568853;GENER;EPAM;25;0;"<a href=https://www.ebi.ac.uk/chembl/assay_report_card/CHEMBL1047017/  target=_blank>CHEMBL1047017</a>";;;;;;;;;-5.62;;;;;;;;;;;;"Dehnhardt CM, Venkatesan AM, Chen Z, Ayral-Kaloustian S, Dos Santos O, Delos Santos E, Curran K, Follettie MT, Diesl V, Lucas J, Geng Y, Dejoy SQ, Petersen R, Chaudhary I, Brooijmans N, Mansour TS, Arndt K, Chen L.: Design and synthesis of novel diaminoquinazolines with in vivo efficacy for beta-catenin/T-cell transcriptional factor 4 pathway inhibition. J Med Chem, Volume 53 (2), 2010";ChEMBL
MM473011;MM473011;CC(C)(C)C1C(O)=C(C2=CS(=O)(=O)c3cc(NS(C)(=O)=O)ccc3N2)C(=O)N1Cc1ccc(F)cc1;RGXRFMDVMGSEIH-JOCHJYFZSA-N;535.62;3.51;54728372;;;CHEMBL568894;GENER;EPAM;25;0;"<a href=https://www.ebi.ac.uk/chembl/assay_report_card/CHEMBL1048128/  target=_blank>CHEMBL1048128</a>";;;;;;;;;-5.85;;;;;;;;;;;;"de Vicente J, Hendricks RT, Smith DB, Fell JB, Fischer J, Spencer SR, Stengel PJ, Mohr P, Robinson JE, Blake JF, Hilgenkamp RK, Yee C, Zhao J, Elworthy TR, Tracy J, Chin E, Li J, Lui A, Wang B, Oshiro C, Harris SF, Ghate M, Leveque VJ, Najera I, Le Pogam S, Rajyaguru S, Ao-Ieong G, Alexandrova L, Fitch B, Brandl M, Masjedizadeh M, Wu SY, de Keczer S, Voronin T.: Non-nucleoside inhibitors of HCV polymerase NS5B. Part 3: synthesis and optimization studies of benzothiazine-substituted tetramic acids. Bioorg Med Chem Lett, Volume 19 (19), 2009";ChEMBL
MM472995;MM472995;CNc1nc(NCc2ccc(NC(=O)c3ccc(F)cc3)cc2)c2ccccc2n1;WWBNWNFPDKAYDJ-UHFFFAOYSA-N;401.45;4.68;44818131;;;CHEMBL569102;GENER;EPAM;25;0;"<a href=https://www.ebi.ac.uk/chembl/assay_report_card/CHEMBL1047017/  target=_blank>CHEMBL1047017</a>";;;;;;;;;-5.38;;;;;;;;;;;;"Dehnhardt CM, Venkatesan AM, Chen Z, Ayral-Kaloustian S, Dos Santos O, Delos Santos E, Curran K, Follettie MT, Diesl V, Lucas J, Geng Y, Dejoy SQ, Petersen R, Chaudhary I, Brooijmans N, Mansour TS, Arndt K, Chen L.: Design and synthesis of novel diaminoquinazolines with in vivo efficacy for beta-catenin/T-cell transcriptional factor 4 pathway inhibition. J Med Chem, Volume 53 (2), 2010";ChEMBL
MM473016;MM473016;CCOC(=O)c1ncn2c1Cc1cnc(C)nc1-c1cc(Br)ccc1-2;GOISDWFECBXUAU-UHFFFAOYSA-N;399.25;3.48;10222545;;;CHEMBL569477;GENER;EPAM;25;0;"<a href=https://www.ebi.ac.uk/chembl/assay_report_card/CHEMBL1040221/  target=_blank>CHEMBL1040221</a>";;;;;;;;;-5.44;;;;;;;;;;;;"Achermann G, Ballard TM, Blasco F, Broutin PE, Büttelmann B, Fischer H, Graf M, Hernandez MC, Hilty P, Knoflach F, Koblet A, Knust H, Kurt A, Martin JR, Masciadri R, Porter RH, Stadler H, Thomas AW, Trube G, Wichmann J.: Discovery of the imidazo[1,5-a][1,2,4]-triazolo[1,5-d][1,4]benzodiazepine scaffold as a novel, potent and selective GABA(A) alpha5 inverse agonist series. Bioorg Med Chem Lett, Volume 19 (19), 2009";ChEMBL
MM473006;MM473006;CNc1nc(NCc2ccc(NC(=O)c3ccc(Cl)cc3)cc2)c2c(C)cccc2n1;GSIFXTHXPURSBY-UHFFFAOYSA-N;431.93;5.5;44818314;;;CHEMBL569532;GENER;EPAM;25;0;"<a href=https://www.ebi.ac.uk/chembl/assay_report_card/CHEMBL1047017/  target=_blank>CHEMBL1047017</a>";;;;;;;;;-6.05;;;;;;;;;;;;"Dehnhardt CM, Venkatesan AM, Chen Z, Ayral-Kaloustian S, Dos Santos O, Delos Santos E, Curran K, Follettie MT, Diesl V, Lucas J, Geng Y, Dejoy SQ, Petersen R, Chaudhary I, Brooijmans N, Mansour TS, Arndt K, Chen L.: Design and synthesis of novel diaminoquinazolines with in vivo efficacy for beta-catenin/T-cell transcriptional factor 4 pathway inhibition. J Med Chem, Volume 53 (2), 2010";ChEMBL
MM473007;MM473007;CNc1nc(NCc2ccc(NC(=O)c3ccc(Cl)nc3)cc2)c2c(C)cccc2n1;LLKZNBPLCIOFFO-UHFFFAOYSA-N;432.92;4.89;44818495;;;CHEMBL569533;GENER;EPAM;25;0;"<a href=https://www.ebi.ac.uk/chembl/assay_report_card/CHEMBL1047017/  target=_blank>CHEMBL1047017</a>";;;;;;;;;-6.7;;;;;;;;;;;;"Dehnhardt CM, Venkatesan AM, Chen Z, Ayral-Kaloustian S, Dos Santos O, Delos Santos E, Curran K, Follettie MT, Diesl V, Lucas J, Geng Y, Dejoy SQ, Petersen R, Chaudhary I, Brooijmans N, Mansour TS, Arndt K, Chen L.: Design and synthesis of novel diaminoquinazolines with in vivo efficacy for beta-catenin/T-cell transcriptional factor 4 pathway inhibition. J Med Chem, Volume 53 (2), 2010";ChEMBL
MM472998;MM472998;CNc1nc(NCc2ccc(NC(=O)c3ccc(C(F)(F)F)cc3)cc2)c2ccccc2n1;ISTRBVPLLRSCKS-UHFFFAOYSA-N;451.45;5.55;25025909;;;CHEMBL570417;GENER;EPAM;25;0;"<a href=https://www.ebi.ac.uk/chembl/assay_report_card/CHEMBL1047017/  target=_blank>CHEMBL1047017</a>";;;;;;;;;-5.28;;;;;;;;;;;;"Dehnhardt CM, Venkatesan AM, Chen Z, Ayral-Kaloustian S, Dos Santos O, Delos Santos E, Curran K, Follettie MT, Diesl V, Lucas J, Geng Y, Dejoy SQ, Petersen R, Chaudhary I, Brooijmans N, Mansour TS, Arndt K, Chen L.: Design and synthesis of novel diaminoquinazolines with in vivo efficacy for beta-catenin/T-cell transcriptional factor 4 pathway inhibition. J Med Chem, Volume 53 (2), 2010";ChEMBL
MM472999;MM472999;CNc1nc(NCc2ccc(NC(=O)c3cccc(Cl)c3)cc2)c2ccccc2n1;ITHDRVHVMMIWSS-UHFFFAOYSA-N;417.9;5.19;25026107;;;CHEMBL570418;GENER;EPAM;25;0;"<a href=https://www.ebi.ac.uk/chembl/assay_report_card/CHEMBL1047017/  target=_blank>CHEMBL1047017</a>";;;;;;;;;-5.52;;;;;;;;;;;;"Dehnhardt CM, Venkatesan AM, Chen Z, Ayral-Kaloustian S, Dos Santos O, Delos Santos E, Curran K, Follettie MT, Diesl V, Lucas J, Geng Y, Dejoy SQ, Petersen R, Chaudhary I, Brooijmans N, Mansour TS, Arndt K, Chen L.: Design and synthesis of novel diaminoquinazolines with in vivo efficacy for beta-catenin/T-cell transcriptional factor 4 pathway inhibition. J Med Chem, Volume 53 (2), 2010";ChEMBL
MM473002;MM473002;CNc1nc(NCc2ccc(NC(=O)c3ccc(F)cc3)cc2)c2cccc(C)c2n1;SOZJMQJCCKPSJW-UHFFFAOYSA-N;415.47;4.98;44818132;;;CHEMBL570656;GENER;EPAM;25;0;"<a href=https://www.ebi.ac.uk/chembl/assay_report_card/CHEMBL1047017/  target=_blank>CHEMBL1047017</a>";;;;;;;;;-5.38;;;;;;;;;;;;"Dehnhardt CM, Venkatesan AM, Chen Z, Ayral-Kaloustian S, Dos Santos O, Delos Santos E, Curran K, Follettie MT, Diesl V, Lucas J, Geng Y, Dejoy SQ, Petersen R, Chaudhary I, Brooijmans N, Mansour TS, Arndt K, Chen L.: Design and synthesis of novel diaminoquinazolines with in vivo efficacy for beta-catenin/T-cell transcriptional factor 4 pathway inhibition. J Med Chem, Volume 53 (2), 2010";ChEMBL
MM471675;MM471675;O=C(Nc1cccc(O)c1)Nc1nc2ccc(F)cc2s1;CCZBZTQJBZLSOM-UHFFFAOYSA-N;303.32;3.79;127053123;;;CHEMBL3822632;BBB;EPAM;25;0;"ph = 7.4, <a href=https://www.ebi.ac.uk/chembl/assay_report_card/CHEMBL3826274/  target=_blank>CHEMBL3826274</a>";;;;;;;;;-5.15;;;;;;;;;;;;"Hroch L, Benek O, Guest P, Aitken L, Soukup O, Janockova J, Musil K, Dohnal V, Dolezal R, Kuca K, Smith TK, Gunn-Moore F, Musilek K.: Design, synthesis and in vitro evaluation of benzothiazole-based ureas as potential ABAD/17β-HSD10 modulators for Alzheimer's disease treatment. Bioorg Med Chem Lett, Volume 26 (15), 2016";ChEMBL
MM472994;MM472994;NCC1CCN(c2nccc(-c3ccc4ccccc4c3)n2)CC1;QHLITPHIARVDJI-UHFFFAOYSA-N;318.42;3.47;25199517;;;CHEMBL570667;GENER;EPAM;25;0;"<a href=https://www.ebi.ac.uk/chembl/assay_report_card/CHEMBL1043430/  target=_blank>CHEMBL1043430</a>";;;;;;;;;-5.23;;;;;;;;;;;;"Pelletier JC, Lundquist JT, Gilbert AM, Alon N, Bex FJ, Bhat BM, Bursavich MG, Coleburn VE, Felix LA, Green DM, Green P, Hauze DB, Kharode YP, Lam HS, Lockhead SR, Magolda RL, Matteo JJ, Mehlmann JF, Milligan C, Murrills RJ, Pirrello J, Selim S, Sharp MC, Unwalla RJ, Vera MD, Wrobel JE, Yaworsky P, Bodine PV.: (1-(4-(Naphthalen-2-yl)pyrimidin-2-yl)piperidin-4-yl)methanamine: a wingless beta-catenin agonist that increases bone formation rate. J Med Chem, Volume 52 (22), 2009";ChEMBL
MM473012;MM473012;CC(C)(C)C1C(O)=C(C2=CS(=O)(=O)c3cc(NS(C)(=O)=O)ccc3N2)C(=O)N1Cc1ccc(F)c(Cl)c1;LRWXMBVWGHQXJC-JOCHJYFZSA-N;570.06;4.16;54728373;;;CHEMBL570934;GENER;EPAM;25;0;"<a href=https://www.ebi.ac.uk/chembl/assay_report_card/CHEMBL1048128/  target=_blank>CHEMBL1048128</a>";;;;;;;;;-6.01;;;;;;;;;;;;"de Vicente J, Hendricks RT, Smith DB, Fell JB, Fischer J, Spencer SR, Stengel PJ, Mohr P, Robinson JE, Blake JF, Hilgenkamp RK, Yee C, Zhao J, Elworthy TR, Tracy J, Chin E, Li J, Lui A, Wang B, Oshiro C, Harris SF, Ghate M, Leveque VJ, Najera I, Le Pogam S, Rajyaguru S, Ao-Ieong G, Alexandrova L, Fitch B, Brandl M, Masjedizadeh M, Wu SY, de Keczer S, Voronin T.: Non-nucleoside inhibitors of HCV polymerase NS5B. Part 3: synthesis and optimization studies of benzothiazine-substituted tetramic acids. Bioorg Med Chem Lett, Volume 19 (19), 2009";ChEMBL
MM471677;MM471677;O=C(Nc1cc(Cl)c(O)c(Cl)c1)Nc1nc2ccc(OC(F)(F)F)cc2s1;KICYWJOEAGPGIQ-UHFFFAOYSA-N;438.21;5.85;127053136;;;CHEMBL3823436;BBB;EPAM;25;0;"ph = 7.4, <a href=https://www.ebi.ac.uk/chembl/assay_report_card/CHEMBL3826274/  target=_blank>CHEMBL3826274</a>";;;;;;;;;-5.15;;;;;;;;;;;;"Hroch L, Benek O, Guest P, Aitken L, Soukup O, Janockova J, Musil K, Dohnal V, Dolezal R, Kuca K, Smith TK, Gunn-Moore F, Musilek K.: Design, synthesis and in vitro evaluation of benzothiazole-based ureas as potential ABAD/17β-HSD10 modulators for Alzheimer's disease treatment. Bioorg Med Chem Lett, Volume 26 (15), 2016";ChEMBL
Ketoprofen;MM00662;CC(C(=O)O)c1cccc(C(=O)c2ccccc2)c1;DKYWVDODHFEZIM-UHFFFAOYSA-N;254.29;3.11;3825;DB01009;;CHEMBL571;GENER;EPAM;25;0;"<a href=https://www.ebi.ac.uk/chembl/assay_report_card/CHEMBL3859791/  target=_blank>CHEMBL3859791</a>";;;;;;;;;-5.66;;;;;;;;;;;;"Li DD, Wang ZH, Chen WL, Xie YY, You QD, Guo XK.: Structure-based design of ester compounds to inhibit MLL complex catalytic activity by targeting mixed lineage leukemia 1 (MLL1)-WDR5 interaction. Bioorg Med Chem, Volume 24 (22), 2016";ChEMBL
Ketoprofen;MM00662;CC(C(=O)O)c1cccc(C(=O)c2ccccc2)c1;DKYWVDODHFEZIM-UHFFFAOYSA-N;254.29;3.11;3825;DB01009;;CHEMBL571;GENER;EPAM;25;0;"ph = 5, <a href=https://www.ebi.ac.uk/chembl/assay_report_card/CHEMBL3873505/  target=_blank>CHEMBL3873505</a>";;;;;;;;;-4.06;;;;;;;;;;;;"Shchegol'kov EV, Shchur IV, Burgart YV, Saloutin VI, Trefilova AN, Ljushina GA, Solodnikov SY, Markova LN, Maslova VV, Krasnykh OP, Borisevich SS, Khursan SL.: Polyfluorinated salicylic acid derivatives as analogs of known drugs: Synthesis, molecular docking and biological evaluation. Bioorg Med Chem, Volume 25 (1), 2017";ChEMBL
MM471674;MM471674;O=C(Nc1ccc(O)cc1)Nc1nc2ccc(F)cc2s1;ZYZJRPQLAJRFIW-UHFFFAOYSA-N;303.32;3.79;;;;;BBB;EPAM;25;0;"ph = 7.4, <a href=https://www.ebi.ac.uk/chembl/assay_report_card/CHEMBL3826274/  target=_blank>CHEMBL3826274</a>";;;;;;;;;-5.66;;;;;;;;;;;;"Hroch L, Benek O, Guest P, Aitken L, Soukup O, Janockova J, Musil K, Dohnal V, Dolezal R, Kuca K, Smith TK, Gunn-Moore F, Musilek K.: Design, synthesis and in vitro evaluation of benzothiazole-based ureas as potential ABAD/17β-HSD10 modulators for Alzheimer's disease treatment. Bioorg Med Chem Lett, Volume 26 (15), 2016";ChEMBL
Ketoprofen;MM00662;CC(C(=O)O)c1cccc(C(=O)c2ccccc2)c1;DKYWVDODHFEZIM-UHFFFAOYSA-N;254.29;3.11;3825;DB01009;;CHEMBL571;GENER;EPAM;25;0;"ph = 6.2, <a href=https://www.ebi.ac.uk/chembl/assay_report_card/CHEMBL3873506/  target=_blank>CHEMBL3873506</a>";;;;;;;;;-4.79;;;;;;;;;;;;"Shchegol'kov EV, Shchur IV, Burgart YV, Saloutin VI, Trefilova AN, Ljushina GA, Solodnikov SY, Markova LN, Maslova VV, Krasnykh OP, Borisevich SS, Khursan SL.: Polyfluorinated salicylic acid derivatives as analogs of known drugs: Synthesis, molecular docking and biological evaluation. Bioorg Med Chem, Volume 25 (1), 2017";ChEMBL
MM471676;MM471676;O=C(Nc1ccc(O)c(Cl)c1)Nc1nc2ccc(OC(F)(F)F)cc2s1;INVIWZBFJSKZLF-UHFFFAOYSA-N;403.77;5.2;127053135;;;CHEMBL3823940;BBB;EPAM;25;0;"ph = 7.4, <a href=https://www.ebi.ac.uk/chembl/assay_report_card/CHEMBL3826274/  target=_blank>CHEMBL3826274</a>";;;;;;;;;-5.66;;;;;;;;;;;;"Hroch L, Benek O, Guest P, Aitken L, Soukup O, Janockova J, Musil K, Dohnal V, Dolezal R, Kuca K, Smith TK, Gunn-Moore F, Musilek K.: Design, synthesis and in vitro evaluation of benzothiazole-based ureas as potential ABAD/17β-HSD10 modulators for Alzheimer's disease treatment. Bioorg Med Chem Lett, Volume 26 (15), 2016";ChEMBL
Ketoprofen;MM00662;CC(C(=O)O)c1cccc(C(=O)c2ccccc2)c1;DKYWVDODHFEZIM-UHFFFAOYSA-N;254.29;3.11;3825;DB01009;;CHEMBL571;GENER;EPAM;25;0;"ph = 7.4, <a href=https://www.ebi.ac.uk/chembl/assay_report_card/CHEMBL3873507/  target=_blank>CHEMBL3873507</a>";;;;;;;;;-5.52;;;;;;;;;;;;"Shchegol'kov EV, Shchur IV, Burgart YV, Saloutin VI, Trefilova AN, Ljushina GA, Solodnikov SY, Markova LN, Maslova VV, Krasnykh OP, Borisevich SS, Khursan SL.: Polyfluorinated salicylic acid derivatives as analogs of known drugs: Synthesis, molecular docking and biological evaluation. Bioorg Med Chem, Volume 25 (1), 2017";ChEMBL
Ketoprofen;MM00662;CC(C(=O)O)c1cccc(C(=O)c2ccccc2)c1;DKYWVDODHFEZIM-UHFFFAOYSA-N;254.29;3.11;3825;DB01009;;CHEMBL571;GENER;EPAM;25;0;"ph = 5, <a href=https://www.ebi.ac.uk/chembl/assay_report_card/CHEMBL3428736/  target=_blank>CHEMBL3428736</a>";;;;;;;;;-4.06;;;;;;;;;;;;"Wu Y, Hu M, Yang L, Li X, Bian J, Jiang F, Sun H, You Q, Zhang X.: Novel natural-product-like caged xanthones with improved druglike properties and in vivo antitumor potency. Bioorg Med Chem Lett, Volume 25 (12), 2015";ChEMBL
Ketoprofen;MM00662;CC(C(=O)O)c1cccc(C(=O)c2ccccc2)c1;DKYWVDODHFEZIM-UHFFFAOYSA-N;254.29;3.11;3825;DB01009;;CHEMBL571;GENER;EPAM;25;0;"ph = 6.2, <a href=https://www.ebi.ac.uk/chembl/assay_report_card/CHEMBL3428917/  target=_blank>CHEMBL3428917</a>";;;;;;;;;-4.74;;;;;;;;;;;;"Wu Y, Hu M, Yang L, Li X, Bian J, Jiang F, Sun H, You Q, Zhang X.: Novel natural-product-like caged xanthones with improved druglike properties and in vivo antitumor potency. Bioorg Med Chem Lett, Volume 25 (12), 2015";ChEMBL
Ketoprofen;MM00662;CC(C(=O)O)c1cccc(C(=O)c2ccccc2)c1;DKYWVDODHFEZIM-UHFFFAOYSA-N;254.29;3.11;3825;DB01009;;CHEMBL571;GENER;EPAM;25;0;"ph = 7.4, <a href=https://www.ebi.ac.uk/chembl/assay_report_card/CHEMBL3428918/  target=_blank>CHEMBL3428918</a>";;;;;;;;;-5.74;;;;;;;;;;;;"Wu Y, Hu M, Yang L, Li X, Bian J, Jiang F, Sun H, You Q, Zhang X.: Novel natural-product-like caged xanthones with improved druglike properties and in vivo antitumor potency. Bioorg Med Chem Lett, Volume 25 (12), 2015";ChEMBL
Ketoprofen;MM00662;CC(C(=O)O)c1cccc(C(=O)c2ccccc2)c1;DKYWVDODHFEZIM-UHFFFAOYSA-N;254.29;3.11;3825;DB01009;;CHEMBL571;GENER;EPAM;25;0;"ph = 7.4, <a href=https://www.ebi.ac.uk/chembl/assay_report_card/CHEMBL1056608/  target=_blank>CHEMBL1056608</a>";;;;;;;;;-6.39;;;;;;;;;;;;"Dreassi E, Zizzari AT, Falchi F, Schenone S, Santucci A, Maga G, Botta M.: Determination of permeability and lipophilicity of pyrazolo-pyrimidine tyrosine kinase inhibitors and correlation with biological data. Eur J Med Chem, Volume 44 (9), 2009";ChEMBL
Ketoprofen;MM00662;CC(C(=O)O)c1cccc(C(=O)c2ccccc2)c1;DKYWVDODHFEZIM-UHFFFAOYSA-N;254.29;3.11;3825;DB01009;;CHEMBL571;GENER;EPAM;25;0;"ph = 7.4, <a href=https://www.ebi.ac.uk/chembl/assay_report_card/CHEMBL4131170/  target=_blank>CHEMBL4131170</a>";;;;;;;;;-5.71;;;;;;;;;;;;"Zhang X, Bian J, Li X, Wu X, Dong Y, You Q.: 2-Substituted 3,7,8-trimethylnaphtho[1,2-b]furan-4,5-diones as specific L-shaped NQO1-mediated redox modulators for the treatment of non-small cell lung cancer. Eur J Med Chem, Volume 138, 2017";ChEMBL
Ketoprofen;MM00662;CC(C(=O)O)c1cccc(C(=O)c2ccccc2)c1;DKYWVDODHFEZIM-UHFFFAOYSA-N;254.29;3.11;3825;DB01009;;CHEMBL571;GENER;EPAM;25;0;"ph = 7.4, <a href=https://www.ebi.ac.uk/chembl/assay_report_card/CHEMBL3587134/  target=_blank>CHEMBL3587134</a>";;;;;;;;;-5.71;;;;;;;;;;;;"Xu LL, Zhu JF, Xu XL, Zhu J, Li L, Xi MY, Jiang ZY, Zhang MY, Liu F, Lu MC, Bao QC, Li Q, Zhang C, Wei JL, Zhang XJ, Zhang LS, You QD, Sun HP.: Discovery and Modification of in Vivo Active Nrf2 Activators with 1,2,4-Oxadiazole Core: Hits Identification and Structure-Activity Relationship Study. J Med Chem, Volume 58 (14), 2015";ChEMBL
Ketoprofen;MM00662;CC(C(=O)O)c1cccc(C(=O)c2ccccc2)c1;DKYWVDODHFEZIM-UHFFFAOYSA-N;254.29;3.11;3825;DB01009;;CHEMBL571;GENER;EPAM;25;0;"<a href=https://www.ebi.ac.uk/chembl/assay_report_card/CHEMBL3066824/  target=_blank>CHEMBL3066824</a>";;;;;;;;;-5.55;;;;;;;;;;;;"Akamatsu M.: Importance of physicochemical properties for the design of new pesticides. J Agric Food Chem, Volume 59 (7), 2011";ChEMBL
MM473015;MM473015;Cc1c(Nc2c(C#N)cncc2-c2cc3cc(CN4CCN(C)CC4)ccc3o2)ccc2[nH]ccc12;DZIUPOCVDSYPSY-UHFFFAOYSA-N;476.58;5.65;23627212;;;CHEMBL571581;GENER;EPAM;25;0;"<a href=https://www.ebi.ac.uk/chembl/assay_report_card/CHEMBL1047202/  target=_blank>CHEMBL1047202</a>";;;;;;;;;-5.4;;;;;;;;;;;;"Prashad AS, Wang D, Subrath J, Wu B, Lin M, Zhang MY, Kagan N, Lee J, Yang X, Brennan A, Chaudhary D, Xu X, Leung L, Wang J, Boschelli DH.: C-5 substituted heteroaryl-3-pyridinecarbonitriles as PKCtheta inhibitors: part II. Bioorg Med Chem Lett, Volume 19 (19), 2009";ChEMBL
MM473013;MM473013;Cc1cc(CN2C(=O)C(C3=CS(=O)(=O)c4cc(NS(C)(=O)=O)ccc4N3)=C(O)C2C(C)(C)C)ccc1F;XXQOBDSNGHCQOE-HSZRJFAPSA-N;549.65;3.82;54728374;;;CHEMBL571825;GENER;EPAM;25;0;"<a href=https://www.ebi.ac.uk/chembl/assay_report_card/CHEMBL1048128/  target=_blank>CHEMBL1048128</a>";;;;;;;;;-5.79;;;;;;;;;;;;"de Vicente J, Hendricks RT, Smith DB, Fell JB, Fischer J, Spencer SR, Stengel PJ, Mohr P, Robinson JE, Blake JF, Hilgenkamp RK, Yee C, Zhao J, Elworthy TR, Tracy J, Chin E, Li J, Lui A, Wang B, Oshiro C, Harris SF, Ghate M, Leveque VJ, Najera I, Le Pogam S, Rajyaguru S, Ao-Ieong G, Alexandrova L, Fitch B, Brandl M, Masjedizadeh M, Wu SY, de Keczer S, Voronin T.: Non-nucleoside inhibitors of HCV polymerase NS5B. Part 3: synthesis and optimization studies of benzothiazine-substituted tetramic acids. Bioorg Med Chem Lett, Volume 19 (19), 2009";ChEMBL
MM472996;MM472996;CNc1nc(NCc2ccc(NC(=O)c3ccc(Cl)cc3)cc2)c2ccccc2n1;KAMBUPZZPWFSKM-UHFFFAOYSA-N;417.9;5.19;25025707;;;CHEMBL571994;GENER;EPAM;25;0;"<a href=https://www.ebi.ac.uk/chembl/assay_report_card/CHEMBL1047017/  target=_blank>CHEMBL1047017</a>";;;;;;;;;-5.85;;;;;;;;;;;;"Dehnhardt CM, Venkatesan AM, Chen Z, Ayral-Kaloustian S, Dos Santos O, Delos Santos E, Curran K, Follettie MT, Diesl V, Lucas J, Geng Y, Dejoy SQ, Petersen R, Chaudhary I, Brooijmans N, Mansour TS, Arndt K, Chen L.: Design and synthesis of novel diaminoquinazolines with in vivo efficacy for beta-catenin/T-cell transcriptional factor 4 pathway inhibition. J Med Chem, Volume 53 (2), 2010";ChEMBL
MM473014;MM473014;CC(C)(C)CCN1C(=O)C(C2=CS(=O)(=O)c3cc(NS(C)(=O)=O)ccc3N2)=C(O)C1C(C)(C)C;GXOQIGPYISLRPV-HXUWFJFHSA-N;511.67;3.6;54728379;;;CHEMBL572246;GENER;EPAM;25;0;"<a href=https://www.ebi.ac.uk/chembl/assay_report_card/CHEMBL1048128/  target=_blank>CHEMBL1048128</a>";;;;;;;;;-5.74;;;;;;;;;;;;"de Vicente J, Hendricks RT, Smith DB, Fell JB, Fischer J, Spencer SR, Stengel PJ, Mohr P, Robinson JE, Blake JF, Hilgenkamp RK, Yee C, Zhao J, Elworthy TR, Tracy J, Chin E, Li J, Lui A, Wang B, Oshiro C, Harris SF, Ghate M, Leveque VJ, Najera I, Le Pogam S, Rajyaguru S, Ao-Ieong G, Alexandrova L, Fitch B, Brandl M, Masjedizadeh M, Wu SY, de Keczer S, Voronin T.: Non-nucleoside inhibitors of HCV polymerase NS5B. Part 3: synthesis and optimization studies of benzothiazine-substituted tetramic acids. Bioorg Med Chem Lett, Volume 19 (19), 2009";ChEMBL
MM472549;MM472549;CCN(CC)S(=O)(=O)c1ccc(C(CC2CCCC2)C(=O)Nc2nc3ccc(OC)nc3s2)cc1;SLAIZTDQGUFKDC-UHFFFAOYSA-N;516.69;5.03;;;;;GENER;EPAM;25;0;"<a href=https://www.ebi.ac.uk/chembl/assay_report_card/CHEMBL1053633/  target=_blank>CHEMBL1053633</a>";;;;;;;;;-5.9;;;;;;;;;;;;"Bebernitz GR, Beaulieu V, Dale BA, Deacon R, Duttaroy A, Gao J, Grondine MS, Gupta RC, Kakmak M, Kavana M, Kirman LC, Liang J, Maniara WM, Munshi S, Nadkarni SS, Schuster HF, Stams T, St Denny I, Taslimi PM, Vash B, Caplan SL.: Investigation of functionally liver selective glucokinase activators for the treatment of type 2 diabetes. J Med Chem, Volume 52 (19), 2009";ChEMBL
MM472557;MM472557;COc1ccc2nc(NC(=O)C(CC3CCCC3)c3ccc(S(=O)(=O)NCc4cccs4)cc3)sc2n1;GVPVGDNTJTUVOY-UHFFFAOYSA-N;556.74;5.54;;;;;GENER;EPAM;25;0;"<a href=https://www.ebi.ac.uk/chembl/assay_report_card/CHEMBL1053633/  target=_blank>CHEMBL1053633</a>";;;;;;;;;-5.1;;;;;;;;;;;;"Bebernitz GR, Beaulieu V, Dale BA, Deacon R, Duttaroy A, Gao J, Grondine MS, Gupta RC, Kakmak M, Kavana M, Kirman LC, Liang J, Maniara WM, Munshi S, Nadkarni SS, Schuster HF, Stams T, St Denny I, Taslimi PM, Vash B, Caplan SL.: Investigation of functionally liver selective glucokinase activators for the treatment of type 2 diabetes. J Med Chem, Volume 52 (19), 2009";ChEMBL
MM472564;MM472564;COc1ccc2nc(NC(=O)C(CC3CCCC3)c3ccc(S(=O)(=O)N(C)CCO)cc3)sc2n1;ZUWZPKWHGCQWQZ-UHFFFAOYSA-N;518.66;3.62;;;;;GENER;EPAM;25;0;"<a href=https://www.ebi.ac.uk/chembl/assay_report_card/CHEMBL1053633/  target=_blank>CHEMBL1053633</a>";;;;;;;;;-4.4;;;;;;;;;;;;"Bebernitz GR, Beaulieu V, Dale BA, Deacon R, Duttaroy A, Gao J, Grondine MS, Gupta RC, Kakmak M, Kavana M, Kirman LC, Liang J, Maniara WM, Munshi S, Nadkarni SS, Schuster HF, Stams T, St Denny I, Taslimi PM, Vash B, Caplan SL.: Investigation of functionally liver selective glucokinase activators for the treatment of type 2 diabetes. J Med Chem, Volume 52 (19), 2009";ChEMBL
MM472545;MM472545;COc1ccc2nc(NC(=O)C(CC3CCCC3)c3ccc(S(N)(=O)=O)cc3)sc2n1;MBGKLTPGMKMMBY-UHFFFAOYSA-N;460.58;3.65;;;;;GENER;EPAM;25;0;"<a href=https://www.ebi.ac.uk/chembl/assay_report_card/CHEMBL1053633/  target=_blank>CHEMBL1053633</a>";;;;;;;;;-4.4;;;;;;;;;;;;"Bebernitz GR, Beaulieu V, Dale BA, Deacon R, Duttaroy A, Gao J, Grondine MS, Gupta RC, Kakmak M, Kavana M, Kirman LC, Liang J, Maniara WM, Munshi S, Nadkarni SS, Schuster HF, Stams T, St Denny I, Taslimi PM, Vash B, Caplan SL.: Investigation of functionally liver selective glucokinase activators for the treatment of type 2 diabetes. J Med Chem, Volume 52 (19), 2009";ChEMBL
MM472550;MM472550;COc1ccc2nc(NC(=O)C(CC3CCCC3)c3ccc(S(=O)(=O)Nc4ccccc4)cc3)sc2n1;JBPRBDOCDYFVCJ-UHFFFAOYSA-N;536.68;5.8;;;;;GENER;EPAM;25;0;"<a href=https://www.ebi.ac.uk/chembl/assay_report_card/CHEMBL1053633/  target=_blank>CHEMBL1053633</a>";;;;;;;;;-3.8;;;;;;;;;;;;"Bebernitz GR, Beaulieu V, Dale BA, Deacon R, Duttaroy A, Gao J, Grondine MS, Gupta RC, Kakmak M, Kavana M, Kirman LC, Liang J, Maniara WM, Munshi S, Nadkarni SS, Schuster HF, Stams T, St Denny I, Taslimi PM, Vash B, Caplan SL.: Investigation of functionally liver selective glucokinase activators for the treatment of type 2 diabetes. J Med Chem, Volume 52 (19), 2009";ChEMBL
MM472558;MM472558;COCCNS(=O)(=O)c1ccc(C(CC2CCCC2)C(=O)Nc2nc3ccc(OC)nc3s2)cc1;PMCDFNOKUMRKOJ-UHFFFAOYSA-N;518.66;3.93;;;;;GENER;EPAM;25;0;"<a href=https://www.ebi.ac.uk/chembl/assay_report_card/CHEMBL1053633/  target=_blank>CHEMBL1053633</a>";;;;;;;;;-5;;;;;;;;;;;;"Bebernitz GR, Beaulieu V, Dale BA, Deacon R, Duttaroy A, Gao J, Grondine MS, Gupta RC, Kakmak M, Kavana M, Kirman LC, Liang J, Maniara WM, Munshi S, Nadkarni SS, Schuster HF, Stams T, St Denny I, Taslimi PM, Vash B, Caplan SL.: Investigation of functionally liver selective glucokinase activators for the treatment of type 2 diabetes. J Med Chem, Volume 52 (19), 2009";ChEMBL
MM472555;MM472555;COc1ccc2nc(NC(=O)C(CC3CCCC3)c3ccc(S(=O)(=O)NCc4ccncc4)cc3)sc2n1;XINJOXSXDSZPPN-UHFFFAOYSA-N;551.69;4.88;;;;;GENER;EPAM;25;0;"<a href=https://www.ebi.ac.uk/chembl/assay_report_card/CHEMBL1053633/  target=_blank>CHEMBL1053633</a>";;;;;;;;;-4.3;;;;;;;;;;;;"Bebernitz GR, Beaulieu V, Dale BA, Deacon R, Duttaroy A, Gao J, Grondine MS, Gupta RC, Kakmak M, Kavana M, Kirman LC, Liang J, Maniara WM, Munshi S, Nadkarni SS, Schuster HF, Stams T, St Denny I, Taslimi PM, Vash B, Caplan SL.: Investigation of functionally liver selective glucokinase activators for the treatment of type 2 diabetes. J Med Chem, Volume 52 (19), 2009";ChEMBL
MM472563;MM472563;COc1ccc2nc(NC(=O)C(CC3CCCC3)c3ccc(S(=O)(=O)N(C)Cc4ccco4)cc3)sc2n1;HYJRDIDWEFMXIE-UHFFFAOYSA-N;554.69;5.42;;;;;GENER;EPAM;25;0;"<a href=https://www.ebi.ac.uk/chembl/assay_report_card/CHEMBL1053633/  target=_blank>CHEMBL1053633</a>";;;;;;;;;-5.1;;;;;;;;;;;;"Bebernitz GR, Beaulieu V, Dale BA, Deacon R, Duttaroy A, Gao J, Grondine MS, Gupta RC, Kakmak M, Kavana M, Kirman LC, Liang J, Maniara WM, Munshi S, Nadkarni SS, Schuster HF, Stams T, St Denny I, Taslimi PM, Vash B, Caplan SL.: Investigation of functionally liver selective glucokinase activators for the treatment of type 2 diabetes. J Med Chem, Volume 52 (19), 2009";ChEMBL
MM472561;MM472561;COc1ccc2nc(NC(=O)C(CC3CCCC3)c3ccc(S(=O)(=O)NCCC(=O)O)cc3)sc2n1;ZVHJDDHGLAAUHM-UHFFFAOYSA-N;532.64;3.76;;;;;GENER;EPAM;25;0;"<a href=https://www.ebi.ac.uk/chembl/assay_report_card/CHEMBL1053633/  target=_blank>CHEMBL1053633</a>";;;;;;;;;-4.3;;;;;;;;;;;;"Bebernitz GR, Beaulieu V, Dale BA, Deacon R, Duttaroy A, Gao J, Grondine MS, Gupta RC, Kakmak M, Kavana M, Kirman LC, Liang J, Maniara WM, Munshi S, Nadkarni SS, Schuster HF, Stams T, St Denny I, Taslimi PM, Vash B, Caplan SL.: Investigation of functionally liver selective glucokinase activators for the treatment of type 2 diabetes. J Med Chem, Volume 52 (19), 2009";ChEMBL
MM472547;MM472547;CCCC(=O)NS(=O)(=O)c1ccc(C(CC2CCCC2)C(=O)Nc2nc3ccc(OC)nc3s2)cc1;PNEQOGFCKMWIML-UHFFFAOYSA-N;530.67;4.61;;;;;GENER;EPAM;25;0;"<a href=https://www.ebi.ac.uk/chembl/assay_report_card/CHEMBL1053633/  target=_blank>CHEMBL1053633</a>";;;;;;;;;-4.4;;;;;;;;;;;;"Bebernitz GR, Beaulieu V, Dale BA, Deacon R, Duttaroy A, Gao J, Grondine MS, Gupta RC, Kakmak M, Kavana M, Kirman LC, Liang J, Maniara WM, Munshi S, Nadkarni SS, Schuster HF, Stams T, St Denny I, Taslimi PM, Vash B, Caplan SL.: Investigation of functionally liver selective glucokinase activators for the treatment of type 2 diabetes. J Med Chem, Volume 52 (19), 2009";ChEMBL
MM472562;MM472562;COc1ccc2nc(NC(=O)C(CC3CCCC3)c3ccc(S(=O)(=O)N(C)Cc4ccccc4)cc3)sc2n1;WMAFUOVYGLDQIV-UHFFFAOYSA-N;564.73;5.82;;;;;GENER;EPAM;25;0;"<a href=https://www.ebi.ac.uk/chembl/assay_report_card/CHEMBL1053633/  target=_blank>CHEMBL1053633</a>";;;;;;;;;-5.4;;;;;;;;;;;;"Bebernitz GR, Beaulieu V, Dale BA, Deacon R, Duttaroy A, Gao J, Grondine MS, Gupta RC, Kakmak M, Kavana M, Kirman LC, Liang J, Maniara WM, Munshi S, Nadkarni SS, Schuster HF, Stams T, St Denny I, Taslimi PM, Vash B, Caplan SL.: Investigation of functionally liver selective glucokinase activators for the treatment of type 2 diabetes. J Med Chem, Volume 52 (19), 2009";ChEMBL
MM472548;MM472548;COc1ccc2nc(NC(=O)C(CC3CCCC3)c3ccc(S(=O)(=O)N(C)C)cc3)sc2n1;PQQWGZZSLXLGEQ-UHFFFAOYSA-N;488.64;4.25;;;;;GENER;EPAM;25;0;"<a href=https://www.ebi.ac.uk/chembl/assay_report_card/CHEMBL1053633/  target=_blank>CHEMBL1053633</a>";;;;;;;;;-3.3;;;;;;;;;;;;"Bebernitz GR, Beaulieu V, Dale BA, Deacon R, Duttaroy A, Gao J, Grondine MS, Gupta RC, Kakmak M, Kavana M, Kirman LC, Liang J, Maniara WM, Munshi S, Nadkarni SS, Schuster HF, Stams T, St Denny I, Taslimi PM, Vash B, Caplan SL.: Investigation of functionally liver selective glucokinase activators for the treatment of type 2 diabetes. J Med Chem, Volume 52 (19), 2009";ChEMBL
MM472553;MM472553;COc1ccc2nc(NC(=O)C(CC3CCCC3)c3ccc(S(=O)(=O)NC4CC4)cc3)sc2n1;BFVMMROZEZLKNK-UHFFFAOYSA-N;500.65;4.44;;;;;GENER;EPAM;25;0;"<a href=https://www.ebi.ac.uk/chembl/assay_report_card/CHEMBL1053633/  target=_blank>CHEMBL1053633</a>";;;;;;;;;-5.2;;;;;;;;;;;;"Bebernitz GR, Beaulieu V, Dale BA, Deacon R, Duttaroy A, Gao J, Grondine MS, Gupta RC, Kakmak M, Kavana M, Kirman LC, Liang J, Maniara WM, Munshi S, Nadkarni SS, Schuster HF, Stams T, St Denny I, Taslimi PM, Vash B, Caplan SL.: Investigation of functionally liver selective glucokinase activators for the treatment of type 2 diabetes. J Med Chem, Volume 52 (19), 2009";ChEMBL
MM472560;MM472560;COc1ccc2nc(NC(=O)C(CC3CCCC3)c3ccc(S(=O)(=O)NCC(=O)O)cc3)sc2n1;YKLGWSWDUMWHGE-UHFFFAOYSA-N;518.62;3.37;;;;;GENER;EPAM;25;0;"<a href=https://www.ebi.ac.uk/chembl/assay_report_card/CHEMBL1053633/  target=_blank>CHEMBL1053633</a>";;;;;;;;;-4.4;;;;;;;;;;;;"Bebernitz GR, Beaulieu V, Dale BA, Deacon R, Duttaroy A, Gao J, Grondine MS, Gupta RC, Kakmak M, Kavana M, Kirman LC, Liang J, Maniara WM, Munshi S, Nadkarni SS, Schuster HF, Stams T, St Denny I, Taslimi PM, Vash B, Caplan SL.: Investigation of functionally liver selective glucokinase activators for the treatment of type 2 diabetes. J Med Chem, Volume 52 (19), 2009";ChEMBL
MM474397;MM474397;CC1(C(=O)Nc2ccc(F)nc2)CCCN1c1nc(Nc2cc(C3CC3)[nH]n2)c2cccn2n1;;461.51;3.61;24785538;;;CHEMBL575448;GENER;EPAM;25;0;"<a href=https://www.ebi.ac.uk/chembl/assay_report_card/CHEMBL1228262/  target=_blank>CHEMBL1228262</a>";;;;;;;;;-4.2;;;;;;;;;;;;"Sampognaro AJ, Wittman MD, Carboni JM, Chang C, Greer AF, Hurlburt WW, Sack JS, Vyas DM.: Proline isosteres in a series of 2,4-disubstituted pyrrolo[1,2-f][1,2,4]triazine inhibitors of IGF-1R kinase and IR kinase. Bioorg Med Chem Lett, Volume 20 (17), 2010";ChEMBL
MM474397;MM474397;CC1(C(=O)Nc2ccc(F)nc2)CCCN1c1nc(Nc2cc(C3CC3)[nH]n2)c2cccn2n1;;461.51;3.61;24785538;;;CHEMBL575448;GENER;EPAM;25;0;"<a href=https://www.ebi.ac.uk/chembl/assay_report_card/CHEMBL1050154/  target=_blank>CHEMBL1050154</a>";;;;;;;;;-4.41;;;;;;;;;;;;"Wittman MD, Carboni JM, Yang Z, Lee FY, Antman M, Attar R, Balimane P, Chang C, Chen C, Discenza L, Frennesson D, Gottardis MM, Greer A, Hurlburt W, Johnson W, Langley DR, Li A, Li J, Liu P, Mastalerz H, Mathur A, Menard K, Patel K, Sack J, Sang X, Saulnier M, Smith D, Stefanski K, Trainor G, Velaparthi U, Zhang G, Zimmermann K, Vyas DM.: Discovery of a 2,4-disubstituted pyrrolo[1,2-f][1,2,4]triazine inhibitor (BMS-754807) of insulin-like growth factor receptor (IGF-1R) kinase in clinical development. J Med Chem, Volume 52 (23), 2009";ChEMBL
MM472556;MM472556;COc1ccc2nc(NC(=O)C(CC3CCCC3)c3ccc(S(=O)(=O)NCc4ccco4)cc3)sc2n1;VYCOWOUFZJFBOD-UHFFFAOYSA-N;540.67;5.07;;;;;GENER;EPAM;25;0;"<a href=https://www.ebi.ac.uk/chembl/assay_report_card/CHEMBL1053633/  target=_blank>CHEMBL1053633</a>";;;;;;;;;-4.9;;;;;;;;;;;;"Bebernitz GR, Beaulieu V, Dale BA, Deacon R, Duttaroy A, Gao J, Grondine MS, Gupta RC, Kakmak M, Kavana M, Kirman LC, Liang J, Maniara WM, Munshi S, Nadkarni SS, Schuster HF, Stams T, St Denny I, Taslimi PM, Vash B, Caplan SL.: Investigation of functionally liver selective glucokinase activators for the treatment of type 2 diabetes. J Med Chem, Volume 52 (19), 2009";ChEMBL
MM472551;MM472551;COc1ccc2nc(NC(=O)C(CC3CCCC3)c3ccc(S(=O)(=O)NC4CCCCC4)cc3)sc2n1;COHVEEIHPAJPAS-UHFFFAOYSA-N;542.73;5.61;;;;;GENER;EPAM;25;0;"<a href=https://www.ebi.ac.uk/chembl/assay_report_card/CHEMBL1053633/  target=_blank>CHEMBL1053633</a>";;;;;;;;;-7;;;;;;;;;;;;"Bebernitz GR, Beaulieu V, Dale BA, Deacon R, Duttaroy A, Gao J, Grondine MS, Gupta RC, Kakmak M, Kavana M, Kirman LC, Liang J, Maniara WM, Munshi S, Nadkarni SS, Schuster HF, Stams T, St Denny I, Taslimi PM, Vash B, Caplan SL.: Investigation of functionally liver selective glucokinase activators for the treatment of type 2 diabetes. J Med Chem, Volume 52 (19), 2009";ChEMBL
MM472552;MM472552;COc1ccc2nc(NC(=O)C(CC3CCCC3)c3ccc(S(=O)(=O)NC4CCOCC4)cc3)sc2n1;LPTWSMUFAICRJY-UHFFFAOYSA-N;544.7;4.46;;;;;GENER;EPAM;25;0;"<a href=https://www.ebi.ac.uk/chembl/assay_report_card/CHEMBL1053633/  target=_blank>CHEMBL1053633</a>";;;;;;;;;-4.5;;;;;;;;;;;;"Bebernitz GR, Beaulieu V, Dale BA, Deacon R, Duttaroy A, Gao J, Grondine MS, Gupta RC, Kakmak M, Kavana M, Kirman LC, Liang J, Maniara WM, Munshi S, Nadkarni SS, Schuster HF, Stams T, St Denny I, Taslimi PM, Vash B, Caplan SL.: Investigation of functionally liver selective glucokinase activators for the treatment of type 2 diabetes. J Med Chem, Volume 52 (19), 2009";ChEMBL
MM473000;MM473000;CNc1nc(NCc2ccc(NC(=O)c3ccc(C#N)cc3)cc2)c2ccccc2n1;BUCKBHOWKWDMMK-UHFFFAOYSA-N;408.47;4.41;25026108;;;CHEMBL576864;GENER;EPAM;25;0;"<a href=https://www.ebi.ac.uk/chembl/assay_report_card/CHEMBL1047017/  target=_blank>CHEMBL1047017</a>";;;;;;;;;-6.7;;;;;;;;;;;;"Dehnhardt CM, Venkatesan AM, Chen Z, Ayral-Kaloustian S, Dos Santos O, Delos Santos E, Curran K, Follettie MT, Diesl V, Lucas J, Geng Y, Dejoy SQ, Petersen R, Chaudhary I, Brooijmans N, Mansour TS, Arndt K, Chen L.: Design and synthesis of novel diaminoquinazolines with in vivo efficacy for beta-catenin/T-cell transcriptional factor 4 pathway inhibition. J Med Chem, Volume 53 (2), 2010";ChEMBL
MM472559;MM472559;COc1ccc2nc(NC(=O)C(CC3CCCC3)c3ccc(S(=O)(=O)NCCN(C)C)cc3)sc2n1;SNNHMOIYFKPOKT-UHFFFAOYSA-N;531.7;3.84;;;;;GENER;EPAM;25;0;"<a href=https://www.ebi.ac.uk/chembl/assay_report_card/CHEMBL1053633/  target=_blank>CHEMBL1053633</a>";;;;;;;;;-4.8;;;;;;;;;;;;"Bebernitz GR, Beaulieu V, Dale BA, Deacon R, Duttaroy A, Gao J, Grondine MS, Gupta RC, Kakmak M, Kavana M, Kirman LC, Liang J, Maniara WM, Munshi S, Nadkarni SS, Schuster HF, Stams T, St Denny I, Taslimi PM, Vash B, Caplan SL.: Investigation of functionally liver selective glucokinase activators for the treatment of type 2 diabetes. J Med Chem, Volume 52 (19), 2009";ChEMBL
MM472546;MM472546;CCC(=O)NS(=O)(=O)c1ccc(C(CC2CCCC2)C(=O)Nc2nc3ccc(OC)nc3s2)cc1;DEWIUZLCJUAFLD-UHFFFAOYSA-N;516.65;4.22;;;;;GENER;EPAM;25;0;"<a href=https://www.ebi.ac.uk/chembl/assay_report_card/CHEMBL1053633/  target=_blank>CHEMBL1053633</a>";;;;;;;;;-4.1;;;;;;;;;;;;"Bebernitz GR, Beaulieu V, Dale BA, Deacon R, Duttaroy A, Gao J, Grondine MS, Gupta RC, Kakmak M, Kavana M, Kirman LC, Liang J, Maniara WM, Munshi S, Nadkarni SS, Schuster HF, Stams T, St Denny I, Taslimi PM, Vash B, Caplan SL.: Investigation of functionally liver selective glucokinase activators for the treatment of type 2 diabetes. J Med Chem, Volume 52 (19), 2009";ChEMBL
MM472554;MM472554;COc1ccc2nc(NC(=O)C(CC3CCCC3)c3ccc(S(=O)(=O)NCc4cccnc4)cc3)sc2n1;VPAHKACDRIEKRM-UHFFFAOYSA-N;551.69;4.88;;;;;GENER;EPAM;25;0;"<a href=https://www.ebi.ac.uk/chembl/assay_report_card/CHEMBL1053633/  target=_blank>CHEMBL1053633</a>";;;;;;;;;-4.6;;;;;;;;;;;;"Bebernitz GR, Beaulieu V, Dale BA, Deacon R, Duttaroy A, Gao J, Grondine MS, Gupta RC, Kakmak M, Kavana M, Kirman LC, Liang J, Maniara WM, Munshi S, Nadkarni SS, Schuster HF, Stams T, St Denny I, Taslimi PM, Vash B, Caplan SL.: Investigation of functionally liver selective glucokinase activators for the treatment of type 2 diabetes. J Med Chem, Volume 52 (19), 2009";ChEMBL
MM471458;MM471458;CC1(C)CC[C@]2(C(=O)O)CC[C@]3(C)C(=CC[C@@H]4[C@@]5(C)Cc6sc(N)nc6C(C)(C)[C@@H]5CC[C@]43C)[C@@H]2C1;KRVCHLIPXSYGHJ-KNVGJEHWSA-N;510.79;7.63;;;;;GENER;EPAM;25;0;"ph = 7.4, <a href=https://www.ebi.ac.uk/chembl/assay_report_card/CHEMBL4315699/  target=_blank>CHEMBL4315699</a>";;;;;;;;;-7.16;;;;;;;;;;;;"Borková L, Frydrych I, Jakubcová N, Adámek R, Lišková B, Gurská S, Medvedíková M, Hajdúch M, Urban M.: Synthesis and biological evaluation of triterpenoid thiazoles derived from betulonic acid, dihydrobetulonic acid, and ursonic acid. Eur J Med Chem, Volume 185, 2020";ChEMBL
MM472377;MM472377;COC(=O)c1ccc(CNC(=O)CC2(C)CC3(CCCCC3)OO2)cc1;LBMSLUDBQYSBBQ-UHFFFAOYSA-N;361.44;3.29;45484900;;;CHEMBL578547;GENER;EPAM;25;0;"ph = 6.5, <a href=https://www.ebi.ac.uk/chembl/assay_report_card/CHEMBL1045195/  target=_blank>CHEMBL1045195</a>";;;;;;;;;-4.24;;;;;;;;;;;;"Martyn DC, Beletsky G, Cortese JF, Tyndall E, Liu H, Fitzgerald MM, O'Shea TJ, Liang B, Clardy J.: Synthesis and in vitro DMPK profiling of a 1,2-dioxolane-based library with activity against Plasmodium falciparum. Bioorg Med Chem Lett, Volume 19 (19), 2009";ChEMBL
MM472374;MM472374;CCOc1ccccc1CNC(=O)CC1(C)CC2(CCCCC2)OO1;YYQFCQMYJKFEBT-UHFFFAOYSA-N;347.46;3.91;45484961;;;CHEMBL578968;GENER;EPAM;25;0;"ph = 6.5, <a href=https://www.ebi.ac.uk/chembl/assay_report_card/CHEMBL1045195/  target=_blank>CHEMBL1045195</a>";;;;;;;;;-4.13;;;;;;;;;;;;"Martyn DC, Beletsky G, Cortese JF, Tyndall E, Liu H, Fitzgerald MM, O'Shea TJ, Liang B, Clardy J.: Synthesis and in vitro DMPK profiling of a 1,2-dioxolane-based library with activity against Plasmodium falciparum. Bioorg Med Chem Lett, Volume 19 (19), 2009";ChEMBL
MM472375;MM472375;COc1cc(CNC(=O)CC2(C)CC3(CCCCC3)OO2)cc(OC)c1;IBCNGCWXJWSCOQ-UHFFFAOYSA-N;363.45;3.52;45484966;;;CHEMBL579199;GENER;EPAM;25;0;"ph = 6.5, <a href=https://www.ebi.ac.uk/chembl/assay_report_card/CHEMBL1045195/  target=_blank>CHEMBL1045195</a>";;;;;;;;;-4.26;;;;;;;;;;;;"Martyn DC, Beletsky G, Cortese JF, Tyndall E, Liu H, Fitzgerald MM, O'Shea TJ, Liang B, Clardy J.: Synthesis and in vitro DMPK profiling of a 1,2-dioxolane-based library with activity against Plasmodium falciparum. Bioorg Med Chem Lett, Volume 19 (19), 2009";ChEMBL
MM472376;MM472376;COc1cc(CNC(=O)CC2(C)CC3(CCCCC3)OO2)cc(OC)c1OC;OBMNRUUTVNRXAU-UHFFFAOYSA-N;393.48;3.53;45484967;;;CHEMBL579200;GENER;EPAM;25;0;"ph = 6.5, <a href=https://www.ebi.ac.uk/chembl/assay_report_card/CHEMBL1045195/  target=_blank>CHEMBL1045195</a>";;;;;;;;;-4.27;;;;;;;;;;;;"Martyn DC, Beletsky G, Cortese JF, Tyndall E, Liu H, Fitzgerald MM, O'Shea TJ, Liang B, Clardy J.: Synthesis and in vitro DMPK profiling of a 1,2-dioxolane-based library with activity against Plasmodium falciparum. Bioorg Med Chem Lett, Volume 19 (19), 2009";ChEMBL
MM471071;MM471071;NC1=NC(c2ccccc2)(c2ccccc2)C2=NCCCN12;UFWSJOVQEPTPNE-UHFFFAOYSA-N;290.37;2.36;11543843;;;CHEMBL582044;GENER;EPAM;25;0;"<a href=https://www.ebi.ac.uk/chembl/assay_report_card/CHEMBL1042919/  target=_blank>CHEMBL1042919</a>";;;;;;;;;-6;;;;;;;;;;;;"Nowak P, Cole DC, Aulabaugh A, Bard J, Chopra R, Cowling R, Fan KY, Hu B, Jacobsen S, Jani M, Jin G, Lo MC, Malamas MS, Manas ES, Narasimhan R, Reinhart P, Robichaud AJ, Stock JR, Subrath J, Svenson K, Turner J, Wagner E, Zhou P, Ellingboe JW.: Discovery and initial optimization of 5,5'-disubstituted aminohydantoins as potent beta-secretase (BACE1) inhibitors. Bioorg Med Chem Lett, Volume 20 (2), 2010";ChEMBL
MM471857;MM471857;CCOC(=O)c1c(-c2ccc3c(c2)OCO3)[nH]c2cc(OC)ccc2c1=O;WPUKTSSXIZKTLM-UHFFFAOYSA-N;367.36;3.11;4295881;;;CHEMBL582392;GENER;EPAM;25;0;"ph = 7.4, <a href=https://www.ebi.ac.uk/chembl/assay_report_card/CHEMBL2175311/  target=_blank>CHEMBL2175311</a>";;;;;;;;;-4;;;;;;;;;;;;"Zhang Y, Clark JA, Connelly MC, Zhu F, Min J, Guiguemde WA, Pradhan A, Iyer L, Furimsky A, Gow J, Parman T, El Mazouni F, Phillips MA, Kyle DE, Mirsalis J, Guy RK.: Lead optimization of 3-carboxyl-4(1H)-quinolones to deliver orally bioavailable antimalarials. J Med Chem, Volume 55 (9), 2012";ChEMBL
MM471536;MM471536;Cc1[nH]c2ccccc2c(=O)c1Br;RPUCDXLAFUWPHF-UHFFFAOYSA-N;238.08;2.6;886844;;;CHEMBL582429;GENER;EPAM;25;0;"ph = 7.4, <a href=https://www.ebi.ac.uk/chembl/assay_report_card/CHEMBL1261030/  target=_blank>CHEMBL1261030</a>";;;;;;;;;-4.87;;;;;;;;;;;;"Cross RM, Monastyrskyi A, Mutka TS, Burrows JN, Kyle DE, Manetsch R.: Endochin optimization: structure-activity and structure-property relationship studies of 3-substituted 2-methyl-4(1H)-quinolones with antimalarial activity. J Med Chem, Volume 53 (19), 2010";ChEMBL
MM472997;MM472997;CNc1nc(NCc2ccc(NC(=O)c3ccc(-c4ccccc4)cc3)cc2)c2ccccc2n1;CICSICZXJDAQLA-UHFFFAOYSA-N;459.55;6.2;25025911;;;CHEMBL582809;GENER;EPAM;25;0;"<a href=https://www.ebi.ac.uk/chembl/assay_report_card/CHEMBL1047017/  target=_blank>CHEMBL1047017</a>";;;;;;;;;-5.92;;;;;;;;;;;;"Dehnhardt CM, Venkatesan AM, Chen Z, Ayral-Kaloustian S, Dos Santos O, Delos Santos E, Curran K, Follettie MT, Diesl V, Lucas J, Geng Y, Dejoy SQ, Petersen R, Chaudhary I, Brooijmans N, Mansour TS, Arndt K, Chen L.: Design and synthesis of novel diaminoquinazolines with in vivo efficacy for beta-catenin/T-cell transcriptional factor 4 pathway inhibition. J Med Chem, Volume 53 (2), 2010";ChEMBL
MM473008;MM473008;CNc1nc(NCc2ccc(NC(=O)c3ccc(Cl)nc3)cc2)c2ccc(C)cc2n1;GXJWTRQQFNHPOC-UHFFFAOYSA-N;432.92;4.89;44818493;;;CHEMBL583242;GENER;EPAM;25;0;"<a href=https://www.ebi.ac.uk/chembl/assay_report_card/CHEMBL1047017/  target=_blank>CHEMBL1047017</a>";;;;;;;;;-6.52;;;;;;;;;;;;"Dehnhardt CM, Venkatesan AM, Chen Z, Ayral-Kaloustian S, Dos Santos O, Delos Santos E, Curran K, Follettie MT, Diesl V, Lucas J, Geng Y, Dejoy SQ, Petersen R, Chaudhary I, Brooijmans N, Mansour TS, Arndt K, Chen L.: Design and synthesis of novel diaminoquinazolines with in vivo efficacy for beta-catenin/T-cell transcriptional factor 4 pathway inhibition. J Med Chem, Volume 53 (2), 2010";ChEMBL
MM472565;MM472565;CCN(CC)C(=O)C1C=C2c3cccc4[nH]cc(c34)CC2N(C(=O)Nc2ccccc2)C1;QIPWTYSOANVUKJ-WZONZLPQSA-N;428.54;4.51;45482789;;;CHEMBL584554;GENER;EPAM;25;0;"<a href=https://www.ebi.ac.uk/chembl/assay_report_card/CHEMBL1046698/  target=_blank>CHEMBL1046698</a>";;;;;;;;;-4;;;;;;;;;;;;"Thoma G, Baenteli R, Lewis I, Wagner T, Oberer L, Blum W, Glickman F, Streiff MB, Zerwes HG.: Special ergolines are highly selective, potent antagonists of the chemokine receptor CXCR3: discovery, characterization and preliminary SAR of a promising lead. Bioorg Med Chem Lett, Volume 19 (21), 2009";ChEMBL
MM473004;MM473004;CNc1nc(NCc2ccc(NC(=O)c3ccc(F)cc3)cc2)c2c(C)cccc2n1;JSCRFRPIEAQXHA-UHFFFAOYSA-N;415.47;4.98;44818311;;;CHEMBL584735;GENER;EPAM;25;0;"<a href=https://www.ebi.ac.uk/chembl/assay_report_card/CHEMBL1047017/  target=_blank>CHEMBL1047017</a>";;;;;;;;;-5.59;;;;;;;;;;;;"Dehnhardt CM, Venkatesan AM, Chen Z, Ayral-Kaloustian S, Dos Santos O, Delos Santos E, Curran K, Follettie MT, Diesl V, Lucas J, Geng Y, Dejoy SQ, Petersen R, Chaudhary I, Brooijmans N, Mansour TS, Arndt K, Chen L.: Design and synthesis of novel diaminoquinazolines with in vivo efficacy for beta-catenin/T-cell transcriptional factor 4 pathway inhibition. J Med Chem, Volume 53 (2), 2010";ChEMBL
MM473010;MM473010;CC(C)(C)C1C(O)=C(C2=CS(=O)(=O)c3cc(NS(C)(=O)=O)ccc3N2)C(=O)N1Cc1ccccc1;ALABQWJNSWBAKG-JOCHJYFZSA-N;517.63;3.37;54728371;;;CHEMBL585384;GENER;EPAM;25;0;"<a href=https://www.ebi.ac.uk/chembl/assay_report_card/CHEMBL1048128/  target=_blank>CHEMBL1048128</a>";;;;;;;;;-5.74;;;;;;;;;;;;"de Vicente J, Hendricks RT, Smith DB, Fell JB, Fischer J, Spencer SR, Stengel PJ, Mohr P, Robinson JE, Blake JF, Hilgenkamp RK, Yee C, Zhao J, Elworthy TR, Tracy J, Chin E, Li J, Lui A, Wang B, Oshiro C, Harris SF, Ghate M, Leveque VJ, Najera I, Le Pogam S, Rajyaguru S, Ao-Ieong G, Alexandrova L, Fitch B, Brandl M, Masjedizadeh M, Wu SY, de Keczer S, Voronin T.: Non-nucleoside inhibitors of HCV polymerase NS5B. Part 3: synthesis and optimization studies of benzothiazine-substituted tetramic acids. Bioorg Med Chem Lett, Volume 19 (19), 2009";ChEMBL
MM471593;MM471593;O=c1c2c([nH]c3cc(Cl)ccc13)CCCC2;HIIMAULBOMFTFN-UHFFFAOYSA-N;233.7;3.06;2870225;;;CHEMBL586279;GENER;EPAM;25;0;"ph = 7.4, <a href=https://www.ebi.ac.uk/chembl/assay_report_card/CHEMBL1804799/  target=_blank>CHEMBL1804799</a>";;;;;;;;;-4.12;;;;;;;;;;;;"Cross RM, Maignan JR, Mutka TS, Luong L, Sargent J, Kyle DE, Manetsch R.: Optimization of 1,2,3,4-tetrahydroacridin-9(10H)-ones as antimalarials utilizing structure-activity and structure-property relationships. J Med Chem, Volume 54 (13), 2011";ChEMBL
MM471074;MM471074;CN1C(=O)C(C2CCCCC2)(C2CCCCC2)N=C1N;IAMIFCZOYVOTFD-UHFFFAOYSA-N;277.41;2.67;;;;;GENER;EPAM;25;0;"<a href=https://www.ebi.ac.uk/chembl/assay_report_card/CHEMBL1042919/  target=_blank>CHEMBL1042919</a>";;;;;;;;;-5.54;;;;;;;;;;;;"Nowak P, Cole DC, Aulabaugh A, Bard J, Chopra R, Cowling R, Fan KY, Hu B, Jacobsen S, Jani M, Jin G, Lo MC, Malamas MS, Manas ES, Narasimhan R, Reinhart P, Robichaud AJ, Stock JR, Subrath J, Svenson K, Turner J, Wagner E, Zhou P, Ellingboe JW.: Discovery and initial optimization of 5,5'-disubstituted aminohydantoins as potent beta-secretase (BACE1) inhibitors. Bioorg Med Chem Lett, Volume 20 (2), 2010";ChEMBL
MM471080;MM471080;O=C(c1ccc(Cn2ccc3cccc(Cl)c32)cc1)N1CCC(N2CCCC2)C1;QRZWUPXCLYWBIP-NRFANRHFSA-N;407.95;4.65;24825718;;;CHEMBL589908;GENER;EPAM;25;0;"<a href=https://www.ebi.ac.uk/chembl/assay_report_card/CHEMBL1069493/  target=_blank>CHEMBL1069493</a>";;;;;;;;;-5.19;;;;;;;;;;;;"Cole DC, Gross JL, Comery TA, Aschmies S, Hirst WD, Kelley C, Kim JI, Kubek K, Ning X, Platt BJ, Robichaud AJ, Solvibile WR, Stock JR, Tawa G, Williams MJ, Ellingboe JW.: Benzimidazole- and indole-substituted 1,3'-bipyrrolidine benzamides as histamine H3 receptor antagonists. Bioorg Med Chem Lett, Volume 20 (3), 2010";ChEMBL
MM471081;MM471081;O=C(c1ccc(Cn2ccc3ccc(Cl)cc32)cc1)N1CCC(N2CCCC2)C1;HHPYIWPWLUUFOK-QFIPXVFZSA-N;407.95;4.65;46230692;;;CHEMBL590625;GENER;EPAM;25;0;"<a href=https://www.ebi.ac.uk/chembl/assay_report_card/CHEMBL1069493/  target=_blank>CHEMBL1069493</a>";;;;;;;;;-5.14;;;;;;;;;;;;"Cole DC, Gross JL, Comery TA, Aschmies S, Hirst WD, Kelley C, Kim JI, Kubek K, Ning X, Platt BJ, Robichaud AJ, Solvibile WR, Stock JR, Tawa G, Williams MJ, Ellingboe JW.: Benzimidazole- and indole-substituted 1,3'-bipyrrolidine benzamides as histamine H3 receptor antagonists. Bioorg Med Chem Lett, Volume 20 (3), 2010";ChEMBL
MM471075;MM471075;Cc1ccoc1C(=O)Nc1cccc(C2(C3CCCCC3)N=C(N)N(C)C2=O)c1;CZSNUKITORTJBZ-UHFFFAOYSA-N;394.48;3.4;16051586;;;CHEMBL590830;GENER;EPAM;25;0;"<a href=https://www.ebi.ac.uk/chembl/assay_report_card/CHEMBL1042919/  target=_blank>CHEMBL1042919</a>";;;;;;;;;-5.85;;;;;;;;;;;;"Nowak P, Cole DC, Aulabaugh A, Bard J, Chopra R, Cowling R, Fan KY, Hu B, Jacobsen S, Jani M, Jin G, Lo MC, Malamas MS, Manas ES, Narasimhan R, Reinhart P, Robichaud AJ, Stock JR, Subrath J, Svenson K, Turner J, Wagner E, Zhou P, Ellingboe JW.: Discovery and initial optimization of 5,5'-disubstituted aminohydantoins as potent beta-secretase (BACE1) inhibitors. Bioorg Med Chem Lett, Volume 20 (2), 2010";ChEMBL
MM474002;MM474002;O=C(Nc1ccc(Cl)cc1)c1cc([N+](=O)[O-])ccc1Cl;YLRYDYDEPZYJCA-UHFFFAOYSA-N;311.12;4.15;;;;;GENER;EPAM;25;+1,-1;"<a href=https://www.ebi.ac.uk/chembl/assay_report_card/CHEMBL2405174/  target=_blank>CHEMBL2405174</a>";;;;;;;;;-3.27;;;;;;;;;;;;"Hwang JY, Smithson DC, Holbrook G, Zhu F, Connelly MC, Kaiser M, Brun R, Kiplin Guy R.: Optimization of the electrophile of chloronitrobenzamide leads active against Trypanosoma brucei. Bioorg Med Chem Lett, Volume 23 (14), 2013";ChEMBL
MM474388;MM474388;CN1CC[C@]23CCCC[C@H]2[C@H]1Cc1ccc(O)cc13;JAQUASYNZVUNQP-USXIJHARSA-N;257.38;3.08;;;;;GENER;EPAM;25;0;"<a href=https://www.ebi.ac.uk/chembl/assay_report_card/CHEMBL4323355/  target=_blank>CHEMBL4323355</a>";;;;;;;;;-5.04;;;;;;;;;;;;"Meyer MJ, Neumann VE, Friesacher HR, Zdrazil B, Brockmöller J, Tzvetkov MV.: Opioids as Substrates and Inhibitors of the Genetically Highly Variable Organic Cation Transporter OCT1. J Med Chem, Volume 62 (21), 2019";ChEMBL
MM471509;MM471509;CN(C)C1CCN(C(=O)c2ccc(NC(=O)Nc3ccc(-c4nc(N5CCOCC5)nc(N5CCOCC5)n4)cc3)cc2)CC1;DWZAEMINVBZMHQ-UHFFFAOYSA-N;615.74;3.02;44516953;;;CHEMBL592445;GENER;EPAM;25;0;"ph = 7.4, <a href=https://www.ebi.ac.uk/chembl/assay_report_card/CHEMBL1065054/  target=_blank>CHEMBL1065054</a>";;;;;;;;;-7;;;;;;;;;;;;"Venkatesan AM, Dehnhardt CM, Delos Santos E, Chen Z, Dos Santos O, Ayral-Kaloustian S, Khafizova G, Brooijmans N, Mallon R, Hollander I, Feldberg L, Lucas J, Yu K, Gibbons J, Abraham RT, Chaudhary I, Mansour TS.: Bis(morpholino-1,3,5-triazine) derivatives: potent adenosine 5'-triphosphate competitive phosphatidylinositol-3-kinase/mammalian target of rapamycin inhibitors: discovery of compound 26 (PKI-587), a highly efficacious dual inhibitor. J Med Chem, Volume 53 (6), 2010";ChEMBL
MM471508;MM471508;CN(C)CCNC(=O)c1ccc(NC(=O)Nc2ccc(-c3nc(N4CCOCC4)nc(N4CCOCC4)n3)cc2)cc1;QDYDLDKGDBEEOL-UHFFFAOYSA-N;575.67;2.15;44473371;;;CHEMBL592615;GENER;EPAM;25;0;"ph = 7.4, <a href=https://www.ebi.ac.uk/chembl/assay_report_card/CHEMBL1065054/  target=_blank>CHEMBL1065054</a>";;;;;;;;;-7;;;;;;;;;;;;"Venkatesan AM, Dehnhardt CM, Delos Santos E, Chen Z, Dos Santos O, Ayral-Kaloustian S, Khafizova G, Brooijmans N, Mallon R, Hollander I, Feldberg L, Lucas J, Yu K, Gibbons J, Abraham RT, Chaudhary I, Mansour TS.: Bis(morpholino-1,3,5-triazine) derivatives: potent adenosine 5'-triphosphate competitive phosphatidylinositol-3-kinase/mammalian target of rapamycin inhibitors: discovery of compound 26 (PKI-587), a highly efficacious dual inhibitor. J Med Chem, Volume 53 (6), 2010";ChEMBL
MM473023;MM473023;COc1ccc(C(=O)NCc2cccc(C(=O)Nc3ccc(CN(C)C)cc3)c2)cc1Cl;VYLVEERKOLDJOU-UHFFFAOYSA-N;451.95;4.59;25054307;;;CHEMBL592709;GENER;EPAM;25;0;"<a href=https://www.ebi.ac.uk/chembl/assay_report_card/CHEMBL1066165/  target=_blank>CHEMBL1066165</a>";;;;;;;;;-4.62;;;;;;;;;;;;"Morwick T, Büttner FH, Cywin CL, Dahmann G, Hickey E, Jakes S, Kaplita P, Kashem MA, Kerr S, Kugler S, Mao W, Marshall D, Paw Z, Shih CK, Wu F, Young E.: Hit to lead account of the discovery of bisbenzamide and related ureidobenzamide inhibitors of Rho kinase. J Med Chem, Volume 53 (2), 2010";ChEMBL
MM472590;MM472590;Cc1c(OCc2cccc(-c3ccc(C(=O)O)cc3)c2)cc2c(c1C)C(=O)C(C1CCCC1)C2;KMKBEESNZAPKMP-UHFFFAOYSA-N;454.57;6.79;9868580;;;CHEMBL593013;GENER;EPAM;25;0;"<a href=https://www.ebi.ac.uk/chembl/assay_report_card/CHEMBL1655207/  target=_blank>CHEMBL1655207</a>";;;;;;;;;-6.2;;;;;;;;;;;;"Dhanya RP, Sidique S, Sheffler DJ, Nickols HH, Herath A, Yang L, Dahl R, Ardecky R, Semenova S, Markou A, Conn PJ, Cosford ND.: Design and synthesis of an orally active metabotropic glutamate receptor subtype-2 (mGluR2) positive allosteric modulator (PAM) that decreases cocaine self-administration in rats. J Med Chem, Volume 54 (1), 2011";ChEMBL
MM473774;MM473774;Cc1c(Nc2c(C#N)cncc2C=CCCCN2CCNCC2)ccc2[nH]ccc12;IFLKFPIAJMOXTG-HWKANZROSA-N;400.53;4.19;44473010;;;CHEMBL593162;GENER;EPAM;25;0;"<a href=https://www.ebi.ac.uk/chembl/assay_report_card/CHEMBL1067370/  target=_blank>CHEMBL1067370</a>";;;;;;;;;-6.8;;;;;;;;;;;;"Tumey LN, Bhagirath N, Brennan A, Brooijmans N, Lee J, Yang X, Boschelli DH.: 5-Vinyl-3-pyridinecarbonitrile inhibitors of PKCtheta: optimization of enzymatic and functional activity. Bioorg Med Chem, Volume 17 (23), 2009";ChEMBL
MM473783;MM473783;Cc1c(Nc2c(C#N)cncc2C=CCN2CCC(N)CC2)ccc2[nH]ccc12;XUDDPIKSCLCQKJ-NSCUHMNNSA-N;386.5;3.92;44253797;;;CHEMBL593163;GENER;EPAM;25;0;"<a href=https://www.ebi.ac.uk/chembl/assay_report_card/CHEMBL1067370/  target=_blank>CHEMBL1067370</a>";;;;;;;;;-7.52;;;;;;;;;;;;"Tumey LN, Bhagirath N, Brennan A, Brooijmans N, Lee J, Yang X, Boschelli DH.: 5-Vinyl-3-pyridinecarbonitrile inhibitors of PKCtheta: optimization of enzymatic and functional activity. Bioorg Med Chem, Volume 17 (23), 2009";ChEMBL
Chembl2021600;MM467820;CC(Oc1ccc(S(C)(=O)=O)cc1C(=O)N1CCN(c2ncc(C(F)(F)F)cc2F)CC1)C(C)(C)C;QENXTKAMWKICNF-HNNXBMFYSA-N;531.57;4.42;44184875;;;CHEMBL2021600;GENER;EPAM;25;0;"<a href=https://www.ebi.ac.uk/chembl/assay_report_card/CHEMBL1177045/  target=_blank>CHEMBL1177045</a>";;;;;;;;;-5.49;;;;;;;;;;;;"Pinard E, Alanine A, Alberati D, Bender M, Borroni E, Bourdeaux P, Brom V, Burner S, Fischer H, Hainzl D, Halm R, Hauser N, Jolidon S, Lengyel J, Marty HP, Meyer T, Moreau JL, Mory R, Narquizian R, Nettekoven M, Norcross RD, Puellmann B, Schmid P, Schmitt S, Stalder H, Wermuth R, Wettstein JG, Zimmerli D.: Selective GlyT1 inhibitors: discovery of [4-(3-fluoro-5-trifluoromethylpyridin-2-yl)piperazin-1-yl][5-methanesulfonyl-2-((S)-2,2,2-trifluoro-1-methylethoxy)phenyl]methanone (RG1678), a promising novel medicine to treat schizophrenia. J Med Chem, Volume 53 (12), 2010";ChEMBL
MM473786;MM473786;Cc1c(Nc2c(C#N)cncc2C=CCN2CCNCC2)ccc2[nH]ccc12;MODWLWDUUDGOEB-NSCUHMNNSA-N;372.48;3.41;44251637;;;CHEMBL593619;GENER;EPAM;25;0;"<a href=https://www.ebi.ac.uk/chembl/assay_report_card/CHEMBL1067370/  target=_blank>CHEMBL1067370</a>";;;;;;;;;-7.7;;;;;;;;;;;;"Tumey LN, Bhagirath N, Brennan A, Brooijmans N, Lee J, Yang X, Boschelli DH.: 5-Vinyl-3-pyridinecarbonitrile inhibitors of PKCtheta: optimization of enzymatic and functional activity. Bioorg Med Chem, Volume 17 (23), 2009";ChEMBL
MM473782;MM473782;Cc1c(Nc2c(C#N)cncc2C=CCCN2CCC(N)CC2)ccc2[nH]ccc12;SZJIXBKHTOPEKG-DUXPYHPUSA-N;400.53;4.31;44473011;;;CHEMBL593883;GENER;EPAM;25;0;"<a href=https://www.ebi.ac.uk/chembl/assay_report_card/CHEMBL1067370/  target=_blank>CHEMBL1067370</a>";;;;;;;;;-7.4;;;;;;;;;;;;"Tumey LN, Bhagirath N, Brennan A, Brooijmans N, Lee J, Yang X, Boschelli DH.: 5-Vinyl-3-pyridinecarbonitrile inhibitors of PKCtheta: optimization of enzymatic and functional activity. Bioorg Med Chem, Volume 17 (23), 2009";ChEMBL
MM473785;MM473785;Cc1c(Nc2c(C#N)cncc2C=CCCN2CCC(O)CC2)ccc2[nH]ccc12;KRSQMQFKFCQXKG-DUXPYHPUSA-N;401.51;4.35;44252054;;;CHEMBL593890;GENER;EPAM;25;0;"<a href=https://www.ebi.ac.uk/chembl/assay_report_card/CHEMBL1067370/  target=_blank>CHEMBL1067370</a>";;;;;;;;;-7.7;;;;;;;;;;;;"Tumey LN, Bhagirath N, Brennan A, Brooijmans N, Lee J, Yang X, Boschelli DH.: 5-Vinyl-3-pyridinecarbonitrile inhibitors of PKCtheta: optimization of enzymatic and functional activity. Bioorg Med Chem, Volume 17 (23), 2009";ChEMBL
MM474510;MM474510;CCc1ccc(CCOc2ccc(CC3SC(=O)NC3=O)cc2)nc1;HYAFETHFCAUJAY-UHFFFAOYSA-N;356.45;3.16;;;;;GENER;EPAM;25;0;"<a href=https://www.ebi.ac.uk/chembl/assay_report_card/CHEMBL3431937/  target=_blank>CHEMBL3431937</a>";;;;;;;;;-5.13;;;;;;;;;;;;"CHEMBL dataset: 10.6019/CHEMBL3431459";ChEMBL
MM473773;MM473773;Cc1c(Nc2c(C#N)cncc2C=CCCN2CCN(C)CC2)ccc2[nH]ccc12;COOZRRUJSWPFHC-HWKANZROSA-N;400.53;4.14;44253666;;;CHEMBL595521;GENER;EPAM;25;0;"<a href=https://www.ebi.ac.uk/chembl/assay_report_card/CHEMBL1067370/  target=_blank>CHEMBL1067370</a>";;;;;;;;;-6.07;;;;;;;;;;;;"Tumey LN, Bhagirath N, Brennan A, Brooijmans N, Lee J, Yang X, Boschelli DH.: 5-Vinyl-3-pyridinecarbonitrile inhibitors of PKCtheta: optimization of enzymatic and functional activity. Bioorg Med Chem, Volume 17 (23), 2009";ChEMBL
MM473777;MM473777;Cc1c(Nc2c(C#N)cncc2C=CCCN2CCC(O)C2)ccc2[nH]ccc12;KEUYDWVTHJQHIH-NLJSWGTCSA-N;387.49;3.96;44473021;;;CHEMBL595724;GENER;EPAM;25;0;"<a href=https://www.ebi.ac.uk/chembl/assay_report_card/CHEMBL1067370/  target=_blank>CHEMBL1067370</a>";;;;;;;;;-7.15;;;;;;;;;;;;"Tumey LN, Bhagirath N, Brennan A, Brooijmans N, Lee J, Yang X, Boschelli DH.: 5-Vinyl-3-pyridinecarbonitrile inhibitors of PKCtheta: optimization of enzymatic and functional activity. Bioorg Med Chem, Volume 17 (23), 2009";ChEMBL
MM473784;MM473784;Cc1c(Nc2c(C#N)cncc2C=CCCN2CCN(S(C)(=O)=O)CC2)ccc2[nH]ccc12;SUMGTNPLBQXBDN-HWKANZROSA-N;464.6;3.47;44251776;;;CHEMBL595734;GENER;EPAM;25;0;"<a href=https://www.ebi.ac.uk/chembl/assay_report_card/CHEMBL1067370/  target=_blank>CHEMBL1067370</a>";;;;;;;;;-7.7;;;;;;;;;;;;"Tumey LN, Bhagirath N, Brennan A, Brooijmans N, Lee J, Yang X, Boschelli DH.: 5-Vinyl-3-pyridinecarbonitrile inhibitors of PKCtheta: optimization of enzymatic and functional activity. Bioorg Med Chem, Volume 17 (23), 2009";ChEMBL
MM473022;MM473022;OCC(Cc1cnc[nH]1)Nc1nccc(-c2ccc3ccccc3c2)n1;DHVJXBQMTJFSTJ-SFHVURJKSA-N;345.41;3.04;25121149;;;CHEMBL595986;GENER;EPAM;25;0;"<a href=https://www.ebi.ac.uk/chembl/assay_report_card/CHEMBL1067308/  target=_blank>CHEMBL1067308</a>";;;;;;;;;-6.89;;;;;;;;;;;;"Gilbert AM, Bursavich MG, Alon N, Bhat BM, Bex FJ, Cain M, Coleburn V, Gironda V, Green P, Hauze DB, Kharode Y, Krishnamurthy G, Kirisits M, Lam HS, Liu YB, Lombardi S, Matteo J, Murrills R, Robinson JA, Selim S, Sharp M, Unwalla R, Varadarajan U, Zhao W, Yaworsky PJ.: Hit to lead studies on (hetero)arylpyrimidines--agonists of the canonical Wnt-beta-catenin cellular messaging system. Bioorg Med Chem Lett, Volume 20 (1), 2010";ChEMBL
Fentanyl;MM00493;CCC(=O)N(c1ccccc1)C1CCN(CCc2ccccc2)CC1;PJMPHNIQZUBGLI-UHFFFAOYSA-N;336.48;4.14;3345;DB00813;7V7;CHEMBL596;GENER;EPAM;25;0;"<a href=https://www.ebi.ac.uk/chembl/assay_report_card/CHEMBL4323355/  target=_blank>CHEMBL4323355</a>";;;;;;;;;-4.24;;;;;;;;;;;;"Meyer MJ, Neumann VE, Friesacher HR, Zdrazil B, Brockmöller J, Tzvetkov MV.: Opioids as Substrates and Inhibitors of the Genetically Highly Variable Organic Cation Transporter OCT1. J Med Chem, Volume 62 (21), 2019";ChEMBL
MM473780;MM473780;Cc1c(Nc2c(C#N)cncc2C=CCCN2CC(N)C2)ccc2[nH]ccc12;NDPCMXFATSKLHE-DUXPYHPUSA-N;372.48;3.53;44251906;;;CHEMBL596172;GENER;EPAM;25;0;"<a href=https://www.ebi.ac.uk/chembl/assay_report_card/CHEMBL1067370/  target=_blank>CHEMBL1067370</a>";;;;;;;;;-7.22;;;;;;;;;;;;"Tumey LN, Bhagirath N, Brennan A, Brooijmans N, Lee J, Yang X, Boschelli DH.: 5-Vinyl-3-pyridinecarbonitrile inhibitors of PKCtheta: optimization of enzymatic and functional activity. Bioorg Med Chem, Volume 17 (23), 2009";ChEMBL
MM473781;MM473781;Cc1c(Nc2c(C#N)cncc2C=CCCN2CCC(NS(=O)(=O)C(C)C)CC2)ccc2[nH]ccc12;NEBLJCMPKZILIG-GQCTYLIASA-N;506.68;4.68;44251772;;;CHEMBL596173;GENER;EPAM;25;0;"<a href=https://www.ebi.ac.uk/chembl/assay_report_card/CHEMBL1067370/  target=_blank>CHEMBL1067370</a>";;;;;;;;;-7.3;;;;;;;;;;;;"Tumey LN, Bhagirath N, Brennan A, Brooijmans N, Lee J, Yang X, Boschelli DH.: 5-Vinyl-3-pyridinecarbonitrile inhibitors of PKCtheta: optimization of enzymatic and functional activity. Bioorg Med Chem, Volume 17 (23), 2009";ChEMBL
MM473776;MM473776;Cc1c(Nc2c(C#N)cncc2C=CCCN2CCC(N(C)C)CC2)ccc2[nH]ccc12;CLAXUCQFRATVEQ-GQCTYLIASA-N;428.58;4.92;44252053;;;CHEMBL596397;GENER;EPAM;25;0;"<a href=https://www.ebi.ac.uk/chembl/assay_report_card/CHEMBL1067370/  target=_blank>CHEMBL1067370</a>";;;;;;;;;-7.1;;;;;;;;;;;;"Tumey LN, Bhagirath N, Brennan A, Brooijmans N, Lee J, Yang X, Boschelli DH.: 5-Vinyl-3-pyridinecarbonitrile inhibitors of PKCtheta: optimization of enzymatic and functional activity. Bioorg Med Chem, Volume 17 (23), 2009";ChEMBL
MM471506;MM471506;O=C(Nc1ccncc1)Nc1ccc(-c2nc(N3CCOCC3)nc(N3CCOCC3)n2)cc1;FVOXAVYMKTXHTN-UHFFFAOYSA-N;462.51;2.25;44513884;;;CHEMBL596597;GENER;EPAM;25;0;"ph = 7.4, <a href=https://www.ebi.ac.uk/chembl/assay_report_card/CHEMBL1065054/  target=_blank>CHEMBL1065054</a>";;;;;;;;;-5.85;;;;;;;;;;;;"Venkatesan AM, Dehnhardt CM, Delos Santos E, Chen Z, Dos Santos O, Ayral-Kaloustian S, Khafizova G, Brooijmans N, Mallon R, Hollander I, Feldberg L, Lucas J, Yu K, Gibbons J, Abraham RT, Chaudhary I, Mansour TS.: Bis(morpholino-1,3,5-triazine) derivatives: potent adenosine 5'-triphosphate competitive phosphatidylinositol-3-kinase/mammalian target of rapamycin inhibitors: discovery of compound 26 (PKI-587), a highly efficacious dual inhibitor. J Med Chem, Volume 53 (6), 2010";ChEMBL
MM471500;MM471500;CCNC(=O)Nc1ccc(-c2nc(N3CCOCC3)nc(N3CCOCC3)n2)cc1;AGNQWSRFQIXLBD-UHFFFAOYSA-N;413.48;1.35;44514481;;;CHEMBL596790;GENER;EPAM;25;0;"ph = 7.4, <a href=https://www.ebi.ac.uk/chembl/assay_report_card/CHEMBL1065054/  target=_blank>CHEMBL1065054</a>";;;;;;;;;-6.15;;;;;;;;;;;;"Venkatesan AM, Dehnhardt CM, Delos Santos E, Chen Z, Dos Santos O, Ayral-Kaloustian S, Khafizova G, Brooijmans N, Mallon R, Hollander I, Feldberg L, Lucas J, Yu K, Gibbons J, Abraham RT, Chaudhary I, Mansour TS.: Bis(morpholino-1,3,5-triazine) derivatives: potent adenosine 5'-triphosphate competitive phosphatidylinositol-3-kinase/mammalian target of rapamycin inhibitors: discovery of compound 26 (PKI-587), a highly efficacious dual inhibitor. J Med Chem, Volume 53 (6), 2010";ChEMBL
MM471503;MM471503;O=C(Nc1ccc(CO)cc1)Nc1ccc(-c2nc(N3CCOCC3)nc(N3CCOCC3)n2)cc1;MIPSHXJPVYIDDC-UHFFFAOYSA-N;491.55;2.35;;;;;GENER;EPAM;25;0;"ph = 7.4, <a href=https://www.ebi.ac.uk/chembl/assay_report_card/CHEMBL1065054/  target=_blank>CHEMBL1065054</a>";;;;;;;;;-6.7;;;;;;;;;;;;"Venkatesan AM, Dehnhardt CM, Delos Santos E, Chen Z, Dos Santos O, Ayral-Kaloustian S, Khafizova G, Brooijmans N, Mallon R, Hollander I, Feldberg L, Lucas J, Yu K, Gibbons J, Abraham RT, Chaudhary I, Mansour TS.: Bis(morpholino-1,3,5-triazine) derivatives: potent adenosine 5'-triphosphate competitive phosphatidylinositol-3-kinase/mammalian target of rapamycin inhibitors: discovery of compound 26 (PKI-587), a highly efficacious dual inhibitor. J Med Chem, Volume 53 (6), 2010";ChEMBL
MM473030;MM473030;CNC(=O)c1nn(C)c2c1CCc1cnc(NC3CCN(C(=O)C4CCN(S(C)(=O)=O)CC4)CC3)nc1-2;KOLSEKSFVMGHDV-UHFFFAOYSA-N;530.66;0.41;46233287;;;CHEMBL597754;GENER;EPAM;25;0;"<a href=https://www.ebi.ac.uk/chembl/assay_report_card/CHEMBL1072889/  target=_blank>CHEMBL1072889</a>";;;;;;;;;-4.92;;;;;;;;;;;;"Traquandi G, Ciomei M, Ballinari D, Casale E, Colombo N, Croci V, Fiorentini F, Isacchi A, Longo A, Mercurio C, Panzeri A, Pastori W, Pevarello P, Volpi D, Roussel P, Vulpetti A, Brasca MG.: Identification of potent pyrazolo[4,3-h]quinazoline-3-carboxamides as multi-cyclin-dependent kinase inhibitors. J Med Chem, Volume 53 (5), 2010";ChEMBL
MM471502;MM471502;Cc1ccc(NC(=O)Nc2ccc(-c3nc(N4CCOCC4)nc(N4CCOCC4)n3)cc2)cc1;RAOFVTJVOVNPMR-UHFFFAOYSA-N;475.55;3.16;44513888;;;CHEMBL597814;GENER;EPAM;25;0;"ph = 7.4, <a href=https://www.ebi.ac.uk/chembl/assay_report_card/CHEMBL1065054/  target=_blank>CHEMBL1065054</a>";;;;;;;;;-5.25;;;;;;;;;;;;"Venkatesan AM, Dehnhardt CM, Delos Santos E, Chen Z, Dos Santos O, Ayral-Kaloustian S, Khafizova G, Brooijmans N, Mallon R, Hollander I, Feldberg L, Lucas J, Yu K, Gibbons J, Abraham RT, Chaudhary I, Mansour TS.: Bis(morpholino-1,3,5-triazine) derivatives: potent adenosine 5'-triphosphate competitive phosphatidylinositol-3-kinase/mammalian target of rapamycin inhibitors: discovery of compound 26 (PKI-587), a highly efficacious dual inhibitor. J Med Chem, Volume 53 (6), 2010";ChEMBL
MM471076;MM471076;CN(C)C1CCN(C(=O)c2ccc(Cn3c(-c4ccccc4)nc4ccccc43)cc2)C1;UYKJSYAQDGARFD-UHFFFAOYSA-N;424.55;4.53;25032264;;;CHEMBL597879;GENER;EPAM;25;0;"<a href=https://www.ebi.ac.uk/chembl/assay_report_card/CHEMBL1069493/  target=_blank>CHEMBL1069493</a>";;;;;;;;;-5.36;;;;;;;;;;;;"Cole DC, Gross JL, Comery TA, Aschmies S, Hirst WD, Kelley C, Kim JI, Kubek K, Ning X, Platt BJ, Robichaud AJ, Solvibile WR, Stock JR, Tawa G, Williams MJ, Ellingboe JW.: Benzimidazole- and indole-substituted 1,3'-bipyrrolidine benzamides as histamine H3 receptor antagonists. Bioorg Med Chem Lett, Volume 20 (3), 2010";ChEMBL
MM471078;MM471078;Cc1nc2ccccc2n1Cc1ccc(C(=O)N2CCC(N3CCCC3)C2)cc1;KUCJGGHJCKSUBY-NRFANRHFSA-N;388.52;3.7;25031073;;;CHEMBL598979;GENER;EPAM;25;0;"<a href=https://www.ebi.ac.uk/chembl/assay_report_card/CHEMBL1069493/  target=_blank>CHEMBL1069493</a>";;;;;;;;;-6.52;;;;;;;;;;;;"Cole DC, Gross JL, Comery TA, Aschmies S, Hirst WD, Kelley C, Kim JI, Kubek K, Ning X, Platt BJ, Robichaud AJ, Solvibile WR, Stock JR, Tawa G, Williams MJ, Ellingboe JW.: Benzimidazole- and indole-substituted 1,3'-bipyrrolidine benzamides as histamine H3 receptor antagonists. Bioorg Med Chem Lett, Volume 20 (3), 2010";ChEMBL
Meloxicam;MM00668;Cc1cnc(NC(=O)C2=C(O)c3ccccc3S(=O)(=O)N2C)s1;ZRVUJXDFFKFLMG-UHFFFAOYSA-N;351.41;1.95;54677470;DB00814;MXM;CHEMBL599;GENER;EPAM;25;0;"ph = 6.5, <a href=https://www.ebi.ac.uk/chembl/assay_report_card/CHEMBL1046150/  target=_blank>CHEMBL1046150</a>";;;;;;;;;-4.89;;;;;;;;;;;;"Tam KY, Avdeef A, Tsinman O, Sun N.: The permeation of amphoteric drugs through artificial membranes--an in combo absorption model based on paracellular and transmembrane permeability. J Med Chem, Volume 53 (1), 392-401, 2010";ChEMBL
MM471501;MM471501;O=C(Nc1ccc(F)cc1)Nc1ccc(-c2nc(N3CCOCC3)nc(N3CCOCC3)n2)cc1;WTWXJMUDRHOZFG-UHFFFAOYSA-N;479.52;2.99;44514201;;;CHEMBL599246;GENER;EPAM;25;0;"ph = 7.4, <a href=https://www.ebi.ac.uk/chembl/assay_report_card/CHEMBL1065054/  target=_blank>CHEMBL1065054</a>";;;;;;;;;-6;;;;;;;;;;;;"Venkatesan AM, Dehnhardt CM, Delos Santos E, Chen Z, Dos Santos O, Ayral-Kaloustian S, Khafizova G, Brooijmans N, Mallon R, Hollander I, Feldberg L, Lucas J, Yu K, Gibbons J, Abraham RT, Chaudhary I, Mansour TS.: Bis(morpholino-1,3,5-triazine) derivatives: potent adenosine 5'-triphosphate competitive phosphatidylinositol-3-kinase/mammalian target of rapamycin inhibitors: discovery of compound 26 (PKI-587), a highly efficacious dual inhibitor. J Med Chem, Volume 53 (6), 2010";ChEMBL
MM471507;MM471507;COC(=O)c1ccc(NC(=O)Nc2ccc(-c3nc(N4CCOCC4)nc(N4CCOCC4)n3)cc2)cc1;HRRNDHFMTPCCMO-UHFFFAOYSA-N;519.56;2.64;44515696;;;CHEMBL599259;GENER;EPAM;25;0;"ph = 7.4, <a href=https://www.ebi.ac.uk/chembl/assay_report_card/CHEMBL1065054/  target=_blank>CHEMBL1065054</a>";;;;;;;;;-6.22;;;;;;;;;;;;"Venkatesan AM, Dehnhardt CM, Delos Santos E, Chen Z, Dos Santos O, Ayral-Kaloustian S, Khafizova G, Brooijmans N, Mallon R, Hollander I, Feldberg L, Lucas J, Yu K, Gibbons J, Abraham RT, Chaudhary I, Mansour TS.: Bis(morpholino-1,3,5-triazine) derivatives: potent adenosine 5'-triphosphate competitive phosphatidylinositol-3-kinase/mammalian target of rapamycin inhibitors: discovery of compound 26 (PKI-587), a highly efficacious dual inhibitor. J Med Chem, Volume 53 (6), 2010";ChEMBL
MM471077;MM471077;O=C(c1ccc(Cn2cnc3ccccc32)cc1)N1CCC(N2CCCC2)C1;NUVVLNOBNYNPKB-FQEVSTJZSA-N;374.49;3.39;46230602;;;CHEMBL599589;GENER;EPAM;25;0;"<a href=https://www.ebi.ac.uk/chembl/assay_report_card/CHEMBL1069493/  target=_blank>CHEMBL1069493</a>";;;;;;;;;-6.52;;;;;;;;;;;;"Cole DC, Gross JL, Comery TA, Aschmies S, Hirst WD, Kelley C, Kim JI, Kubek K, Ning X, Platt BJ, Robichaud AJ, Solvibile WR, Stock JR, Tawa G, Williams MJ, Ellingboe JW.: Benzimidazole- and indole-substituted 1,3'-bipyrrolidine benzamides as histamine H3 receptor antagonists. Bioorg Med Chem Lett, Volume 20 (3), 2010";ChEMBL
MM471504;MM471504;O=C(Nc1ccc(-c2nc(N3CCOCC3)nc(N3CCOCC3)n2)cc1)Nc1cccs1;IJAVTPLMQUWYCR-UHFFFAOYSA-N;467.56;2.92;44513887;;;CHEMBL599667;GENER;EPAM;25;0;"ph = 7.4, <a href=https://www.ebi.ac.uk/chembl/assay_report_card/CHEMBL1065054/  target=_blank>CHEMBL1065054</a>";;;;;;;;;-5.62;;;;;;;;;;;;"Venkatesan AM, Dehnhardt CM, Delos Santos E, Chen Z, Dos Santos O, Ayral-Kaloustian S, Khafizova G, Brooijmans N, Mallon R, Hollander I, Feldberg L, Lucas J, Yu K, Gibbons J, Abraham RT, Chaudhary I, Mansour TS.: Bis(morpholino-1,3,5-triazine) derivatives: potent adenosine 5'-triphosphate competitive phosphatidylinositol-3-kinase/mammalian target of rapamycin inhibitors: discovery of compound 26 (PKI-587), a highly efficacious dual inhibitor. J Med Chem, Volume 53 (6), 2010";ChEMBL
MM471505;MM471505;O=C(Nc1ccc(-c2nc(N3CCOCC3)nc(N3CCOCC3)n2)cc1)Nc1cccnc1;LWSJQJQMKYBWTR-UHFFFAOYSA-N;462.51;2.25;44513885;;;CHEMBL599668;GENER;EPAM;25;0;"ph = 7.4, <a href=https://www.ebi.ac.uk/chembl/assay_report_card/CHEMBL1065054/  target=_blank>CHEMBL1065054</a>";;;;;;;;;-6.3;;;;;;;;;;;;"Venkatesan AM, Dehnhardt CM, Delos Santos E, Chen Z, Dos Santos O, Ayral-Kaloustian S, Khafizova G, Brooijmans N, Mallon R, Hollander I, Feldberg L, Lucas J, Yu K, Gibbons J, Abraham RT, Chaudhary I, Mansour TS.: Bis(morpholino-1,3,5-triazine) derivatives: potent adenosine 5'-triphosphate competitive phosphatidylinositol-3-kinase/mammalian target of rapamycin inhibitors: discovery of compound 26 (PKI-587), a highly efficacious dual inhibitor. J Med Chem, Volume 53 (6), 2010";ChEMBL
MM473025;MM473025;COc1ccc(C(=O)NCc2cccc(C(=O)Nc3ccc4c(c3)CN(C)CC4)c2)cc1OC;RUVNTEGYLMYXCF-UHFFFAOYSA-N;459.55;3.87;25057933;;;CHEMBL599791;GENER;EPAM;25;0;"<a href=https://www.ebi.ac.uk/chembl/assay_report_card/CHEMBL1066165/  target=_blank>CHEMBL1066165</a>";;;;;;;;;-4.8;;;;;;;;;;;;"Morwick T, Büttner FH, Cywin CL, Dahmann G, Hickey E, Jakes S, Kaplita P, Kashem MA, Kerr S, Kugler S, Mao W, Marshall D, Paw Z, Shih CK, Wu F, Young E.: Hit to lead account of the discovery of bisbenzamide and related ureidobenzamide inhibitors of Rho kinase. J Med Chem, Volume 53 (2), 2010";ChEMBL
MM472159;MM472159;CNCc1cc(-c2ccccc2)n(S(=O)(=O)c2ccc(OC)cc2)c1;;356.45;3.12;46866596;;;CHEMBL2035455;GENER;EPAM;25;0;"ph = 5, <a href=https://www.ebi.ac.uk/chembl/assay_report_card/CHEMBL4021477/  target=_blank>CHEMBL4021477</a>";;;;;;;;;-4.7;;;;;;;;;;;;"Nishida H, Arikawa Y, Hirase K, Imaeda T, Inatomi N, Hori Y, Matsukawa J, Fujioka Y, Hamada T, Iida M, Nishitani M, Imanishi A, Fukui H, Itoh F, Kajino M.: Identification of a novel fluoropyrrole derivative as a potassium-competitive acid blocker with long duration of action. Bioorg Med Chem, Volume 25 (13), 2017";ChEMBL
MM473027;MM473027;COc1ccc(C(=O)NCc2cccc(C(=O)Nc3ccc(CN(C)C)cc3)c2)cc1OC;MMRPIWYTUYGTFQ-UHFFFAOYSA-N;447.54;3.95;25054032;;;CHEMBL599792;GENER;EPAM;25;0;"<a href=https://www.ebi.ac.uk/chembl/assay_report_card/CHEMBL1066165/  target=_blank>CHEMBL1066165</a>";;;;;;;;;-5;;;;;;;;;;;;"Morwick T, Büttner FH, Cywin CL, Dahmann G, Hickey E, Jakes S, Kaplita P, Kashem MA, Kerr S, Kugler S, Mao W, Marshall D, Paw Z, Shih CK, Wu F, Young E.: Hit to lead account of the discovery of bisbenzamide and related ureidobenzamide inhibitors of Rho kinase. J Med Chem, Volume 53 (2), 2010";ChEMBL
MM472159;MM472159;CNCc1cc(-c2ccccc2)n(S(=O)(=O)c2ccc(OC)cc2)c1;;356.45;3.12;46866596;;;CHEMBL2035455;GENER;EPAM;25;0;"ph = 7.4, <a href=https://www.ebi.ac.uk/chembl/assay_report_card/CHEMBL4021476/  target=_blank>CHEMBL4021476</a>";;;;;;;;;-4.61;;;;;;;;;;;;"Nishida H, Arikawa Y, Hirase K, Imaeda T, Inatomi N, Hori Y, Matsukawa J, Fujioka Y, Hamada T, Iida M, Nishitani M, Imanishi A, Fukui H, Itoh F, Kajino M.: Identification of a novel fluoropyrrole derivative as a potassium-competitive acid blocker with long duration of action. Bioorg Med Chem, Volume 25 (13), 2017";ChEMBL
MM471073;MM471073;CN1C(=O)C(c2ccccc2)(C2CCCCC2)N=C1N;FEZQZQTWDYTJPE-UHFFFAOYSA-N;271.36;2.25;;;;;GENER;EPAM;25;0;"<a href=https://www.ebi.ac.uk/chembl/assay_report_card/CHEMBL1042919/  target=_blank>CHEMBL1042919</a>";;;;;;;;;-5.14;;;;;;;;;;;;"Nowak P, Cole DC, Aulabaugh A, Bard J, Chopra R, Cowling R, Fan KY, Hu B, Jacobsen S, Jani M, Jin G, Lo MC, Malamas MS, Manas ES, Narasimhan R, Reinhart P, Robichaud AJ, Stock JR, Subrath J, Svenson K, Turner J, Wagner E, Zhou P, Ellingboe JW.: Discovery and initial optimization of 5,5'-disubstituted aminohydantoins as potent beta-secretase (BACE1) inhibitors. Bioorg Med Chem Lett, Volume 20 (2), 2010";ChEMBL
MM471082;MM471082;O=C(c1ccc(Cn2ccc3cc(Cl)ccc32)cc1)N1CCC(N2CCCC2)C1;CFVRXCVXEIVWEA-QFIPXVFZSA-N;407.95;4.65;46230693;;;CHEMBL600250;GENER;EPAM;25;0;"<a href=https://www.ebi.ac.uk/chembl/assay_report_card/CHEMBL1069493/  target=_blank>CHEMBL1069493</a>";;;;;;;;;-5.11;;;;;;;;;;;;"Cole DC, Gross JL, Comery TA, Aschmies S, Hirst WD, Kelley C, Kim JI, Kubek K, Ning X, Platt BJ, Robichaud AJ, Solvibile WR, Stock JR, Tawa G, Williams MJ, Ellingboe JW.: Benzimidazole- and indole-substituted 1,3'-bipyrrolidine benzamides as histamine H3 receptor antagonists. Bioorg Med Chem Lett, Volume 20 (3), 2010";ChEMBL
MM471584;MM471584;O=c1c2c([nH]c3ccccc13)CCCC2;CVEXTAUZJWYDJX-UHFFFAOYSA-N;199.25;2.41;95996;;;CHEMBL602366;GENER;EPAM;25;0;"ph = 7.4, <a href=https://www.ebi.ac.uk/chembl/assay_report_card/CHEMBL1804799/  target=_blank>CHEMBL1804799</a>";;;;;;;;;-5;;;;;;;;;;;;"Cross RM, Maignan JR, Mutka TS, Luong L, Sargent J, Kyle DE, Manetsch R.: Optimization of 1,2,3,4-tetrahydroacridin-9(10H)-ones as antimalarials utilizing structure-activity and structure-property relationships. J Med Chem, Volume 54 (13), 2011";ChEMBL
MM471079;MM471079;O=C(c1ccc(Cn2ccc3ccccc32)cc1)N1CCC(N2CCCC2)C1;LRYZIKHXEUKDPW-QFIPXVFZSA-N;373.5;4;46230691;;;CHEMBL602515;GENER;EPAM;25;0;"<a href=https://www.ebi.ac.uk/chembl/assay_report_card/CHEMBL1069493/  target=_blank>CHEMBL1069493</a>";;;;;;;;;-5.08;;;;;;;;;;;;"Cole DC, Gross JL, Comery TA, Aschmies S, Hirst WD, Kelley C, Kim JI, Kubek K, Ning X, Platt BJ, Robichaud AJ, Solvibile WR, Stock JR, Tawa G, Williams MJ, Ellingboe JW.: Benzimidazole- and indole-substituted 1,3'-bipyrrolidine benzamides as histamine H3 receptor antagonists. Bioorg Med Chem Lett, Volume 20 (3), 2010";ChEMBL
MM472634;MM472634;O=C(Nc1ccc(Cl)cc1)C1CCCN(C(=O)c2cc(C(F)(F)F)cc(C(F)(F)F)c2)C1;MOQCFMZWVKQBAP-UHFFFAOYSA-N;478.82;5.87;46190808;;;CHEMBL603141;GENER;EPAM;25;0;"<a href=https://www.ebi.ac.uk/chembl/assay_report_card/CHEMBL2398830/  target=_blank>CHEMBL2398830</a>";;;;;;;;;-10;;;;;;;;;;;;"Bell JL, Haak AJ, Wade SM, Kirchhoff PD, Neubig RR, Larsen SD.: Optimization of novel nipecotic bis(amide) inhibitors of the Rho/MKL1/SRF transcriptional pathway as potential anti-metastasis agents. Bioorg Med Chem Lett, Volume 23 (13), 2013";ChEMBL
MM473778;MM473778;Cc1c(Nc2c(C#N)cncc2C=CCCCN2CCN(C)CC2)ccc2[nH]ccc12;LBDMJMNVJZNONC-GQCTYLIASA-N;414.56;4.53;44251778;;;CHEMBL603217;GENER;EPAM;25;0;"<a href=https://www.ebi.ac.uk/chembl/assay_report_card/CHEMBL1067370/  target=_blank>CHEMBL1067370</a>";;;;;;;;;-7.15;;;;;;;;;;;;"Tumey LN, Bhagirath N, Brennan A, Brooijmans N, Lee J, Yang X, Boschelli DH.: 5-Vinyl-3-pyridinecarbonitrile inhibitors of PKCtheta: optimization of enzymatic and functional activity. Bioorg Med Chem, Volume 17 (23), 2009";ChEMBL
MM473775;MM473775;Cc1c(Nc2c(C#N)cncc2C=CCCN2CCNCC2)ccc2[nH]ccc12;BUCGAQTZOOCIRW-DUXPYHPUSA-N;386.5;3.8;44473009;;;CHEMBL603418;GENER;EPAM;25;0;"<a href=https://www.ebi.ac.uk/chembl/assay_report_card/CHEMBL1067370/  target=_blank>CHEMBL1067370</a>";;;;;;;;;-6.96;;;;;;;;;;;;"Tumey LN, Bhagirath N, Brennan A, Brooijmans N, Lee J, Yang X, Boschelli DH.: 5-Vinyl-3-pyridinecarbonitrile inhibitors of PKCtheta: optimization of enzymatic and functional activity. Bioorg Med Chem, Volume 17 (23), 2009";ChEMBL
MM473028;MM473028;COc1ccc(C(=O)NCc2cccc(C(=O)NCCc3ccncc3)c2)cc1OC;ULXYUIOTBNWJFH-UHFFFAOYSA-N;425.53;2.75;44819015;;;CHEMBL598336;GENER;EPAM;25;0;"<a href=https://www.ebi.ac.uk/chembl/assay_report_card/CHEMBL1066165/  target=_blank>CHEMBL1066165</a>";;;;;;;;;-6.22;;;;;;;;;;;;"Morwick T, Büttner FH, Cywin CL, Dahmann G, Hickey E, Jakes S, Kaplita P, Kashem MA, Kerr S, Kugler S, Mao W, Marshall D, Paw Z, Shih CK, Wu F, Young E.: Hit to lead account of the discovery of bisbenzamide and related ureidobenzamide inhibitors of Rho kinase. J Med Chem, Volume 53 (2), 2010";ChEMBL
MM474577;MM474577;CCN(CC)CCN(Cc1ccc(-c2ccc(C(F)(F)F)cc2)cc1)C(=O)Cn1c(SCc2ccc(F)cc2)nc(=O)c2c1CCC2;;666.79;7.22;9939609;;;CHEMBL204021;GENER;EPAM;25;0;"<a href=https://www.ebi.ac.uk/chembl/assay_report_card/CHEMBL3861800/  target=_blank>CHEMBL3861800</a>";;;;;;;;;-4.64;;;;;;;;;;;;"Woolford AJ, Day PJ, Bénéton V, Berdini V, Coyle JE, Dudit Y, Grondin P, Huet P, Lee LY, Manas ES, McMenamin RL, Murray CW, Page LW, Patel VK, Potvain F, Rich SJ, Sang Y, Somers DO, Trottet L, Wan Z, Zhang X.: Fragment-Based Approach to the Development of an Orally Bioavailable Lactam Inhibitor of Lipoprotein-Associated Phospholipase A2 (Lp-PLA<sub>2</sub>). J Med Chem, Volume 59 (23), 2016";ChEMBL
MM473029;MM473029;COc1ccc(C(=O)NCc2cccc(C(=O)Nc3ccc4c(c3)CNCC4)c2)cc1OC;AOTJVGQNGQYEAY-UHFFFAOYSA-N;445.52;3.53;25057409;;;CHEMBL604087;GENER;EPAM;25;0;"<a href=https://www.ebi.ac.uk/chembl/assay_report_card/CHEMBL1066165/  target=_blank>CHEMBL1066165</a>";;;;;;;;;-5.44;;;;;;;;;;;;"Morwick T, Büttner FH, Cywin CL, Dahmann G, Hickey E, Jakes S, Kaplita P, Kashem MA, Kerr S, Kugler S, Mao W, Marshall D, Paw Z, Shih CK, Wu F, Young E.: Hit to lead account of the discovery of bisbenzamide and related ureidobenzamide inhibitors of Rho kinase. J Med Chem, Volume 53 (2), 2010";ChEMBL
MM474577;MM474577;CCN(CC)CCN(Cc1ccc(-c2ccc(C(F)(F)F)cc2)cc1)C(=O)Cn1c(SCc2ccc(F)cc2)nc(=O)c2c1CCC2;;666.79;7.22;9939609;;;CHEMBL204021;GENER;EPAM;25;0;"<a href=https://www.ebi.ac.uk/chembl/assay_report_card/CHEMBL3871133/  target=_blank>CHEMBL3871133</a>";;;;;;;;;-4.64;;;;;;;;;;;;"Measom ND, Down KD, Hirst DJ, Jamieson C, Manas ES, Patel VK, Somers DO.: Investigation of a Bicyclo[1.1.1]pentane as a Phenyl Replacement within an LpPLA<sub>2</sub> Inhibitor. ACS Med Chem Lett, Volume 8 (1), 2017";ChEMBL
MM471498;MM471498;NC1CCN(c2ccc3n[nH]c(S(=O)(=O)c4cccc5ccccc45)c3c2)C1;OPTAOWZLDMSBKX-OAHLLOKOSA-N;392.48;3.09;25067564;;;CHEMBL604102;GENER;EPAM;25;0;"ph = 7.4, <a href=https://www.ebi.ac.uk/chembl/assay_report_card/CHEMBL1073467/  target=_blank>CHEMBL1073467</a>";;;;;;;;;-6.72;;;;;;;;;;;;"Haydar SN, Yun H, Andrae PM, Mattes J, Zhang J, Kramer A, Smith DL, Huselton C, Graf R, Aschmies S, Schechter LE, Comery TA, Robichaud AJ.: 5-Cyclic amine-3-arylsulfonylindazoles as novel 5-HT6 receptor antagonists. J Med Chem, Volume 53 (6), 2010";ChEMBL
MM473024;MM473024;COc1ccc(C(=O)NCc2cccc(C(=O)Nc3ccc(CN(C)C)cc3)c2)cc1C;ZHYPMHNQQRIWRP-UHFFFAOYSA-N;431.54;4.25;25054568;;;CHEMBL604249;GENER;EPAM;25;0;"<a href=https://www.ebi.ac.uk/chembl/assay_report_card/CHEMBL1066165/  target=_blank>CHEMBL1066165</a>";;;;;;;;;-4.68;;;;;;;;;;;;"Morwick T, Büttner FH, Cywin CL, Dahmann G, Hickey E, Jakes S, Kaplita P, Kashem MA, Kerr S, Kugler S, Mao W, Marshall D, Paw Z, Shih CK, Wu F, Young E.: Hit to lead account of the discovery of bisbenzamide and related ureidobenzamide inhibitors of Rho kinase. J Med Chem, Volume 53 (2), 2010";ChEMBL
MM471499;MM471499;O=C(Nc1ccccc1)Nc1ccc(-c2nc(N3CCOCC3)nc(N3CCOCC3)n2)cc1;HRNGMKXGIBFNBE-UHFFFAOYSA-N;461.53;2.86;44513886;;;CHEMBL604908;GENER;EPAM;25;0;"ph = 7.4, <a href=https://www.ebi.ac.uk/chembl/assay_report_card/CHEMBL1065054/  target=_blank>CHEMBL1065054</a>";;;;;;;;;-6.7;;;;;;;;;;;;"Venkatesan AM, Dehnhardt CM, Delos Santos E, Chen Z, Dos Santos O, Ayral-Kaloustian S, Khafizova G, Brooijmans N, Mallon R, Hollander I, Feldberg L, Lucas J, Yu K, Gibbons J, Abraham RT, Chaudhary I, Mansour TS.: Bis(morpholino-1,3,5-triazine) derivatives: potent adenosine 5'-triphosphate competitive phosphatidylinositol-3-kinase/mammalian target of rapamycin inhibitors: discovery of compound 26 (PKI-587), a highly efficacious dual inhibitor. J Med Chem, Volume 53 (6), 2010";ChEMBL
MM473026;MM473026;COc1ccc(C(=O)NCc2cccc(C(=O)Nc3ccc(CO)cc3)c2)cc1OC;OKHVXBABEFQOCR-UHFFFAOYSA-N;420.47;3.38;44819193;;;CHEMBL605360;GENER;EPAM;25;0;"<a href=https://www.ebi.ac.uk/chembl/assay_report_card/CHEMBL1066165/  target=_blank>CHEMBL1066165</a>";;;;;;;;;-5;;;;;;;;;;;;"Morwick T, Büttner FH, Cywin CL, Dahmann G, Hickey E, Jakes S, Kaplita P, Kashem MA, Kerr S, Kugler S, Mao W, Marshall D, Paw Z, Shih CK, Wu F, Young E.: Hit to lead account of the discovery of bisbenzamide and related ureidobenzamide inhibitors of Rho kinase. J Med Chem, Volume 53 (2), 2010";ChEMBL
MM473787;MM473787;Cc1c(Nc2c(C#N)cncc2C=CCCN2CCCNCC2)ccc2[nH]ccc12;HFSXGAKDODZJBV-GORDUTHDSA-N;400.53;4.19;44251907;;;CHEMBL606133;GENER;EPAM;25;0;"<a href=https://www.ebi.ac.uk/chembl/assay_report_card/CHEMBL1067370/  target=_blank>CHEMBL1067370</a>";;;;;;;;;-8;;;;;;;;;;;;"Tumey LN, Bhagirath N, Brennan A, Brooijmans N, Lee J, Yang X, Boschelli DH.: 5-Vinyl-3-pyridinecarbonitrile inhibitors of PKCtheta: optimization of enzymatic and functional activity. Bioorg Med Chem, Volume 17 (23), 2009";ChEMBL
MM473779;MM473779;Cc1c(Nc2c(C#N)cncc2C=CCCN2CCC(N)C2)ccc2[nH]ccc12;DNZGKSANTHABGF-GVTIMSHASA-N;386.5;3.92;44473015;;;CHEMBL606148;GENER;EPAM;25;0;"<a href=https://www.ebi.ac.uk/chembl/assay_report_card/CHEMBL1067370/  target=_blank>CHEMBL1067370</a>";;;;;;;;;-7.22;;;;;;;;;;;;"Tumey LN, Bhagirath N, Brennan A, Brooijmans N, Lee J, Yang X, Boschelli DH.: 5-Vinyl-3-pyridinecarbonitrile inhibitors of PKCtheta: optimization of enzymatic and functional activity. Bioorg Med Chem, Volume 17 (23), 2009";ChEMBL
"Ethyl 1-methyl-4-phenylpiperidine-4-carboxylate";MM00511;CCOC(=O)C1(c2ccccc2)CCN(C)CC1;XADCESSVHJOZHK-UHFFFAOYSA-N;247.34;2.21;4058;DB00454;;CHEMBL607;GENER;EPAM;25;0;"<a href=https://www.ebi.ac.uk/chembl/assay_report_card/CHEMBL4323355/  target=_blank>CHEMBL4323355</a>";;;;;;;;;-4.4;;;;;;;;;;;;"Meyer MJ, Neumann VE, Friesacher HR, Zdrazil B, Brockmöller J, Tzvetkov MV.: Opioids as Substrates and Inhibitors of the Genetically Highly Variable Organic Cation Transporter OCT1. J Med Chem, Volume 62 (21), 2019";ChEMBL
MM472629;MM472629;O=C(CCNC(=O)c1cc(C(F)(F)F)cc(C(F)(F)F)c1)Nc1ccc(Cl)cc1;OOAQCUJVRKPEEO-UHFFFAOYSA-N;438.76;5.14;46225304;;;CHEMBL608266;GENER;EPAM;25;0;"<a href=https://www.ebi.ac.uk/chembl/assay_report_card/CHEMBL2398830/  target=_blank>CHEMBL2398830</a>";;;;;;;;;-10;;;;;;;;;;;;"Bell JL, Haak AJ, Wade SM, Kirchhoff PD, Neubig RR, Larsen SD.: Optimization of novel nipecotic bis(amide) inhibitors of the Rho/MKL1/SRF transcriptional pathway as potential anti-metastasis agents. Bioorg Med Chem Lett, Volume 23 (13), 2013";ChEMBL
MM472279;MM472279;COc1ccc(-n2cc(-c3ccc4c(c3)C(=O)NCC4)c(N)n2)cc1;ZBIFKWQZJMJWRU-UHFFFAOYSA-N;334.38;2.42;46231477;;;CHEMBL610780;GENER;EPAM;25;0;"ph = 6.8, <a href=https://www.ebi.ac.uk/chembl/assay_report_card/CHEMBL1071094/  target=_blank>CHEMBL1071094</a>";;;;;;;;;-4.4;;;;;;;;;;;;"Velcicky J, Feifel R, Hawtin S, Heng R, Huppertz C, Koch G, Kroemer M, Moebitz H, Revesz L, Scheufler C, Schlapbach A.: Novel 3-aminopyrazole inhibitors of MK-2 discovered by scaffold hopping strategy. Bioorg Med Chem Lett, Volume 20 (3), 2010";ChEMBL
MM473021;MM473021;Cc1cc(S(=O)(=O)NC(=O)Nc2ncc(Br)s2)ccc1-c1ccc(F)nc1;MGILTQRFNXGDIM-UHFFFAOYSA-N;471.33;3.93;24752505;;;CHEMBL611631;GENER;EPAM;25;0;"<a href=https://www.ebi.ac.uk/chembl/assay_report_card/CHEMBL1074697/  target=_blank>CHEMBL1074697</a>";;;;;;;;;-5.44;;;;;;;;;;;;"Kitas E, Mohr P, Kuhn B, Hebeisen P, Wessel HP, Haap W, Ruf A, Benz J, Joseph C, Huber W, Sanchez RA, Paehler A, Benardeau A, Gubler M, Schott B, Tozzo E.: Sulfonylureido thiazoles as fructose-1,6-bisphosphatase inhibitors for the treatment of type-2 diabetes. Bioorg Med Chem Lett, Volume 20 (2), 2010";ChEMBL
1-[2-[2-hydroxy-3-(propylamino)propoxy]phenyl]-3-phenylpropan-1-one;MM00551;CCCNCC(O)COc1ccccc1C(=O)CCc1ccccc1;JWHAUXFOSRPERK-UHFFFAOYSA-N;341.45;3.24;4932;DB01182;;CHEMBL631;GENER;EPAM;25;0;"ph = 7.4, <a href=https://www.ebi.ac.uk/chembl/assay_report_card/CHEMBL2160416/  target=_blank>CHEMBL2160416</a>";;;;;;;;;-2.82;;;;;;;;;;;;"Lowes D, Pradhan A, Iyer LV, Parman T, Gow J, Zhu F, Furimsky A, Lemoff A, Guiguemde WA, Sigal M, Clark JA, Wilson E, Tang L, Connelly MC, Derisi JL, Kyle DE, Mirsalis J, Guy RK.: Lead optimization of antimalarial propafenone analogues. J Med Chem, Volume 55 (13), 2012";ChEMBL
Sufentanil;MM00304;CCC(=O)N(c1ccccc1)C1(COC)CCN(CCc2cccs2)CC1;GGCSSNBKKAUURC-UHFFFAOYSA-N;386.56;4.21;41693;DB00708;;CHEMBL658;GENER;EPAM;25;0;"<a href=https://www.ebi.ac.uk/chembl/assay_report_card/CHEMBL4323355/  target=_blank>CHEMBL4323355</a>";;;;;;;;;-4.42;;;;;;;;;;;;"Meyer MJ, Neumann VE, Friesacher HR, Zdrazil B, Brockmöller J, Tzvetkov MV.: Opioids as Substrates and Inhibitors of the Genetically Highly Variable Organic Cation Transporter OCT1. J Med Chem, Volume 62 (21), 2019";ChEMBL
MM471965;MM471965;COC(=O)Nc1nc2cc(C(=O)c3ccccc3)ccc2[nH]1;OPXLLQIJSORQAM-UHFFFAOYSA-N;295.3;2.97;;;;;GENER;EPAM;25;0;"ph = 7.4, <a href=https://www.ebi.ac.uk/chembl/assay_report_card/CHEMBL3532288/  target=_blank>CHEMBL3532288</a>";;;;;;;;;-4.31;;;;;;;;;;;;"Nishimuta H, Nakagawa T, Nomura N, Yabuki M.: Significance of reductive metabolism in human intestine and quantitative prediction of intestinal first-pass metabolism by cytosolic reductive enzymes. Drug Metab Dispos, Volume 41 (5), 2013";ChEMBL
Morphine;MM00524;CN1CCC23c4c5ccc(O)c4OC2C(O)C=CC3C1C5;BQJCRHHNABKAKU-UHFFFAOYSA-N;285.34;1.2;5288826;DB00295;MOI;CHEMBL70;GENER;EPAM;25;0;"<a href=https://www.ebi.ac.uk/chembl/assay_report_card/CHEMBL4323355/  target=_blank>CHEMBL4323355</a>";;;;;;;;;-6.7;;;;;;;;;;;;"Meyer MJ, Neumann VE, Friesacher HR, Zdrazil B, Brockmöller J, Tzvetkov MV.: Opioids as Substrates and Inhibitors of the Genetically Highly Variable Organic Cation Transporter OCT1. J Med Chem, Volume 62 (21), 2019";ChEMBL
5-[2-[4-(1,2-benzothiazol-3-yl)piperazin-1-yl]ethyl]-6-chloro-1,3-dihydroindol-2-one;MM00589;O=C1Cc2cc(CCN3CCN(c4nsc5ccccc45)CC3)c(Cl)cc2N1;MVWVFYHBGMAFLY-UHFFFAOYSA-N;412.95;3.81;60854;DB00246;;CHEMBL708;GENER;EPAM;25;0;"ph = 7.4, <a href=https://www.ebi.ac.uk/chembl/assay_report_card/CHEMBL3532288/  target=_blank>CHEMBL3532288</a>";;;;;;;;;-4.17;;;;;;;;;;;;"Nishimuta H, Nakagawa T, Nomura N, Yabuki M.: Significance of reductive metabolism in human intestine and quantitative prediction of intestinal first-pass metabolism by cytosolic reductive enzymes. Drug Metab Dispos, Volume 41 (5), 2013";ChEMBL
Desipramine;MM00474;CNCCCN1c2ccccc2CCc2ccccc21;HCYAFALTSJYZDH-UHFFFAOYSA-N;266.39;3.53;2995;DB01151;DSM;CHEMBL72;GENER;EPAM;25;0;"<a href=https://www.ebi.ac.uk/chembl/assay_report_card/CHEMBL3066824/  target=_blank>CHEMBL3066824</a>";;;;;;;;;-4.77;;;;;;;;;;;;"Akamatsu M.: Importance of physicochemical properties for the design of new pesticides. J Agric Food Chem, Volume 59 (7), 2011";ChEMBL
N4-(7-chloro-quinolin-4-yl)-n1,n1-diethyl-pentane-1,4-diamine;MM00459;CCN(CC)CCCC(C)Nc1ccnc2cc(Cl)ccc12;WHTVZRBIWZFKQO-UHFFFAOYSA-N;319.88;4.81;2719;DB00608;CLQ;CHEMBL76;GENER;EPAM;25;0;"ph = 5, <a href=https://www.ebi.ac.uk/chembl/assay_report_card/CHEMBL1103811/  target=_blank>CHEMBL1103811</a>";;;;;;;;;-6.3;;;;;;;;;;;;"Ray S, Madrid PB, Catz P, LeValley SE, Furniss MJ, Rausch LL, Guy RK, DeRisi JL, Iyer LV, Green CE, Mirsalis JC.: Development of a new generation of 4-aminoquinoline antimalarial compounds using predictive pharmacokinetic and toxicology models. J Med Chem, Volume 53 (9), 2010";ChEMBL
N4-(7-chloro-quinolin-4-yl)-n1,n1-diethyl-pentane-1,4-diamine;MM00459;CCN(CC)CCCC(C)Nc1ccnc2cc(Cl)ccc12;WHTVZRBIWZFKQO-UHFFFAOYSA-N;319.88;4.81;2719;DB00608;CLQ;CHEMBL76;GENER;EPAM;25;0;"ph = 6.2, <a href=https://www.ebi.ac.uk/chembl/assay_report_card/CHEMBL1103810/  target=_blank>CHEMBL1103810</a>";;;;;;;;;-4.29;;;;;;;;;;;;"Ray S, Madrid PB, Catz P, LeValley SE, Furniss MJ, Rausch LL, Guy RK, DeRisi JL, Iyer LV, Green CE, Mirsalis JC.: Development of a new generation of 4-aminoquinoline antimalarial compounds using predictive pharmacokinetic and toxicology models. J Med Chem, Volume 53 (9), 2010";ChEMBL
N4-(7-chloro-quinolin-4-yl)-n1,n1-diethyl-pentane-1,4-diamine;MM00459;CCN(CC)CCCC(C)Nc1ccnc2cc(Cl)ccc12;WHTVZRBIWZFKQO-UHFFFAOYSA-N;319.88;4.81;2719;DB00608;CLQ;CHEMBL76;GENER;EPAM;25;0;"ph = 7.4, <a href=https://www.ebi.ac.uk/chembl/assay_report_card/CHEMBL1103809/  target=_blank>CHEMBL1103809</a>";;;;;;;;;-3.11;;;;;;;;;;;;"Ray S, Madrid PB, Catz P, LeValley SE, Furniss MJ, Rausch LL, Guy RK, DeRisi JL, Iyer LV, Green CE, Mirsalis JC.: Development of a new generation of 4-aminoquinoline antimalarial compounds using predictive pharmacokinetic and toxicology models. J Med Chem, Volume 53 (9), 2010";ChEMBL
MM472280;MM472280;O=C(O)c1ccc(-c2cc3cccnc3c(-c3ccc4nonc4c3)n2)cc1;IALXIRPKVRUJQO-UHFFFAOYSA-N;368.35;4.2;9799389;;;CHEMBL77826;GENER;EPAM;25;0;"ph = 6.8, <a href=https://www.ebi.ac.uk/chembl/assay_report_card/CHEMBL2176454/  target=_blank>CHEMBL2176454</a>";;;;;;;;;-4.7;;;;;;;;;;;;"Press NJ, Taylor RJ, Fullerton JD, Tranter P, McCarthy C, Keller TH, Arnold N, Beer D, Brown L, Cheung R, Christie J, Denholm A, Haberthuer S, Hatto JD, Keenan M, Mercer MK, Oakman H, Sahri H, Tuffnell AR, Tweed M, Tyler JW, Wagner T, Fozard JR, Trifilieff A.: Solubility-driven optimization of phosphodiesterase-4 inhibitors leading to a clinical candidate. J Med Chem, Volume 55 (17), 2012";ChEMBL
Ciprofloxacin;MM00726;O=C(O)c1cn(C2CC2)c2cc(N3CCNCC3)c(F)cc2c1=O;MYSWGUAQZAJSOK-UHFFFAOYSA-N;331.35;1.58;2764;DB00537;CPF;CHEMBL8;GENER;EPAM;25;0;"ph = 6.5, <a href=https://www.ebi.ac.uk/chembl/assay_report_card/CHEMBL1046150/  target=_blank>CHEMBL1046150</a>";;;;;;;;;-5.55;;;;;;;;;;;;"Tam KY, Avdeef A, Tsinman O, Sun N.: The permeation of amphoteric drugs through artificial membranes--an in combo absorption model based on paracellular and transmembrane permeability. J Med Chem, Volume 53 (1), 392-401, 2010";ChEMBL
MM474149;MM474149;O=C(c1ccc(OCCN2CCCCC2)cc1)c1c(-c2ccc(O)cc2)sc2cc(O)ccc12;GZUITABIAKMVPG-UHFFFAOYSA-N;473.59;6.08;5035;;;CHEMBL81;GENER;EPAM;25;0;"<a href=https://www.ebi.ac.uk/chembl/assay_report_card/CHEMBL3536106/  target=_blank>CHEMBL3536106</a>";;;;;;;;;-5.52;;;;;;;;;;;;"Nakamori F, Naritomi Y, Hosoya K, Moriguchi H, Tetsuka K, Furukawa T, Kadono K, Yamano K, Terashita S, Teramura T.: Quantitative prediction of human intestinal glucuronidation effects on intestinal availability of UDP-glucuronosyltransferase substrates using in vitro data. Drug Metab Dispos, Volume 40 (9), 2012";ChEMBL
Enoxacin;MM00733;CCn1cc(C(=O)O)c(=O)c2cc(F)c(N3CCNCC3)nc21;IDYZIJYBMGIQMJ-UHFFFAOYSA-N;320.32;0.66;3229;DB00467;;CHEMBL826;GENER;EPAM;25;0;"ph = 6.5, <a href=https://www.ebi.ac.uk/chembl/assay_report_card/CHEMBL1046150/  target=_blank>CHEMBL1046150</a>";;;;;;;;;-5.11;;;;;;;;;;;;"Tam KY, Avdeef A, Tsinman O, Sun N.: The permeation of amphoteric drugs through artificial membranes--an in combo absorption model based on paracellular and transmembrane permeability. J Med Chem, Volume 53 (1), 392-401, 2010";ChEMBL
Benazepril;MM00629;CCOC(=O)[C@H](CCc1ccccc1)N[C@H]1CCc2ccccc2N(CC(=O)O)C1=O;XPCFTKFZXHTYIP-PMACEKPBSA-N;424.5;2.57;5362124;DB00542;;CHEMBL838;GENER;EPAM;25;0;"ph = 6.5, <a href=https://www.ebi.ac.uk/chembl/assay_report_card/CHEMBL1046150/  target=_blank>CHEMBL1046150</a>";;;;;;;;;-4.77;;;;;;;;;;;;"Tam KY, Avdeef A, Tsinman O, Sun N.: The permeation of amphoteric drugs through artificial membranes--an in combo absorption model based on paracellular and transmembrane permeability. J Med Chem, Volume 53 (1), 392-401, 2010";ChEMBL
Chlorothiazide;MM00641;NS(=O)(=O)c1cc2c(cc1Cl)NC=NS2(=O)=O;JBMKAUGHUNFTOL-UHFFFAOYSA-N;295.73;0.13;2720;DB00880;;CHEMBL842;GENER;EPAM;25;0;"<a href=https://www.ebi.ac.uk/chembl/assay_report_card/CHEMBL1769838/  target=_blank>CHEMBL1769838</a>";;;;;;;;;-7.52;;;;;;;;;;;;"Flaten GE, Kottra G, Stensen W, Isaksen G, Karstad R, Svendsen JS, Daniel H, Svenson J.: In vitro characterization of human peptide transporter hPEPT1 interactions and passive permeation studies of short cationic antimicrobial peptides. J Med Chem, Volume 54 (7), 2011";ChEMBL
"3-Phenylpropionic Acid";MM00605;O=C(O)CCc1ccccc1;XMIIGOLPHOKFCH-UHFFFAOYSA-N;150.18;1.7;107;DB02024;HCI;CHEMBL851;GENER;EPAM;25;0;"ph = 7.4, <a href=https://www.ebi.ac.uk/chembl/assay_report_card/CHEMBL3801192/  target=_blank>CHEMBL3801192</a>";;;;;;;;;-5.78;;;;;;;;;;;;"Lassalas P, Gay B, Lasfargeas C, James MJ, Tran V, Vijayendran KG, Brunden KR, Kozlowski MC, Thomas CJ, Smith AB, Huryn DM, Ballatore C.: Structure Property Relationships of Carboxylic Acid Isosteres. J Med Chem, Volume 59 (7), 2016";ChEMBL
MM472378;MM472378;COc1ccccc1-n1c(C)nnc1-c1ccc(-c2ccccc2)cc1;;341.41;4.92;5034737;;;CHEMBL87351;GENER;EPAM;25;0;"ph = 5, <a href=https://www.ebi.ac.uk/chembl/assay_report_card/CHEMBL1657785/  target=_blank>CHEMBL1657785</a>";;;;;;;;;-4.41;;;;;;;;;;;;"Sugane T, Tobe T, Hamaguchi W, Shimada I, Maeno K, Miyata J, Suzuki T, Kimizuka T, Kohara A, Morita T, Doihara H, Saita K, Aota M, Furutani M, Shimada Y, Hamada N, Sakamoto S, Tsukamoto S.: Synthesis and biological evaluation of 3-biphenyl-4-yl-4-phenyl-4H-1,2,4-triazoles as novel glycine transporter 1 inhibitors. J Med Chem, Volume 54 (1), 2011";ChEMBL
MM472378;MM472378;COc1ccccc1-n1c(C)nnc1-c1ccc(-c2ccccc2)cc1;;341.41;4.92;5034737;;;CHEMBL87351;GENER;EPAM;25;0;"ph = 6.5, <a href=https://www.ebi.ac.uk/chembl/assay_report_card/CHEMBL1657786/  target=_blank>CHEMBL1657786</a>";;;;;;;;;-4.47;;;;;;;;;;;;"Sugane T, Tobe T, Hamaguchi W, Shimada I, Maeno K, Miyata J, Suzuki T, Kimizuka T, Kohara A, Morita T, Doihara H, Saita K, Aota M, Furutani M, Shimada Y, Hamada N, Sakamoto S, Tsukamoto S.: Synthesis and biological evaluation of 3-biphenyl-4-yl-4-phenyl-4H-1,2,4-triazoles as novel glycine transporter 1 inhibitors. J Med Chem, Volume 54 (1), 2011";ChEMBL
Famotidine;MM00079;NC(N)=Nc1nc(CSCCC(N)=NS(N)(=O)=O)cs1;XUFQPHANEAPEMJ-UHFFFAOYSA-N;337.46;-0.77;5702160;DB00927;;CHEMBL902;GENER;EPAM;25;0;"ph = 6.5, <a href=https://www.ebi.ac.uk/chembl/assay_report_card/CHEMBL1046150/  target=_blank>CHEMBL1046150</a>";;;;;;;;;-6.22;;;;;;;;;;;;"Tam KY, Avdeef A, Tsinman O, Sun N.: The permeation of amphoteric drugs through artificial membranes--an in combo absorption model based on paracellular and transmembrane permeability. J Med Chem, Volume 53 (1), 392-401, 2010";ChEMBL
MM472953;MM472953;COc1ccc(-c2cc(=O)c3c(O)cc(O)cc3o2)cc1O;MBNGWHIJMBWFHU-UHFFFAOYSA-N;300.27;2.59;;;;;GENER;EPAM;25;0;"<a href=https://www.ebi.ac.uk/chembl/assay_report_card/CHEMBL988140/  target=_blank>CHEMBL988140</a>";;;;;;;;;-4.12;;;;;;;;;;;;"Serra H, Mendes T, Bronze MR, Simplício AL.: Prediction of intestinal absorption and metabolism of pharmacologically active flavones and flavanones. Bioorg Med Chem, Volume 16 (7), 2008";ChEMBL
Fexofenadine;MM00735;CC(C)(C(=O)O)c1ccc(C(O)CCCN2CCC(C(O)(c3ccccc3)c3ccccc3)CC2)cc1;RWTNPBWLLIMQHL-UHFFFAOYSA-N;501.67;5.51;3348;DB00950;;CHEMBL914;GENER;EPAM;25;0;"ph = 6.5, <a href=https://www.ebi.ac.uk/chembl/assay_report_card/CHEMBL1046150/  target=_blank>CHEMBL1046150</a>";;;;;;;;;-5.55;;;;;;;;;;;;"Tam KY, Avdeef A, Tsinman O, Sun N.: The permeation of amphoteric drugs through artificial membranes--an in combo absorption model based on paracellular and transmembrane permeability. J Med Chem, Volume 53 (1), 392-401, 2010";ChEMBL
MM473606;MM473606;O=C(Nc1ccccc1)NC1CCN(Cc2ccccc2)CC1;FBRUCPZAISLOOV-UHFFFAOYSA-N;309.41;3.47;4064342;;;CHEMBL91621;GENER;EPAM;25;0;"<a href=https://www.ebi.ac.uk/chembl/assay_report_card/CHEMBL4222546/  target=_blank>CHEMBL4222546</a>";;;;;;;;;-2.85;;;;;;;;;;;;"Hammill JT, Scott DC, Min J, Connelly MC, Holbrook G, Zhu F, Matheny A, Yang L, Singh B, Schulman BA, Guy RK.: Piperidinyl Ureas Chemically Control Defective in Cullin Neddylation 1 (DCN1)-Mediated Cullin Neddylation. J Med Chem, Volume 61 (7), 2018";ChEMBL
Naringenin;MM00673;O=C1CC(c2ccc(O)cc2)Oc2cc(O)cc(O)c21;FTVWIRXFELQLPI-UHFFFAOYSA-N;272.26;2.51;439246;DB03467;NAR;CHEMBL9352;GENER;EPAM;25;0;"<a href=https://www.ebi.ac.uk/chembl/assay_report_card/CHEMBL988140/  target=_blank>CHEMBL988140</a>";;;;;;;;;-4.59;;;;;;;;;;;;"Serra H, Mendes T, Bronze MR, Simplício AL.: Prediction of intestinal absorption and metabolism of pharmacologically active flavones and flavanones. Bioorg Med Chem, Volume 16 (7), 2008";ChEMBL
MM471405;MM471405;CC(=O)NC(=O)NCc1ccccc1;;192.22;1.03;571734;;;CHEMBL96134;GENER;EPAM;25;0;"ph = 7.4, <a href=https://www.ebi.ac.uk/chembl/assay_report_card/CHEMBL3801192/  target=_blank>CHEMBL3801192</a>";;;;;;;;;-4.79;;;;;;;;;;;;"Lassalas P, Gay B, Lasfargeas C, James MJ, Tran V, Vijayendran KG, Brunden KR, Kozlowski MC, Thomas CJ, Smith AB, Huryn DM, Ballatore C.: Structure Property Relationships of Carboxylic Acid Isosteres. J Med Chem, Volume 59 (7), 2016";ChEMBL
MM471405;MM471405;CC(=O)NC(=O)NCc1ccccc1;;192.22;1.03;571734;;;CHEMBL96134;GENER;EPAM;25;0;"ph = 7.4, <a href=https://www.ebi.ac.uk/chembl/assay_report_card/CHEMBL3801194/  target=_blank>CHEMBL3801194</a>";;;;;;;;;-4.79;;;;;;;;;;;;"Lassalas P, Gay B, Lasfargeas C, James MJ, Tran V, Vijayendran KG, Brunden KR, Kozlowski MC, Thomas CJ, Smith AB, Huryn DM, Ballatore C.: Structure Property Relationships of Carboxylic Acid Isosteres. J Med Chem, Volume 59 (7), 2016";ChEMBL
MM474386;MM474386;CN1CC[C@]23c4c5ccc(O)c4O[C@H]2C(=O)CC[C@@]3(O)[C@H]1C5;UQCNKQCJZOAFTQ-ISWURRPUSA-N;301.34;0.75;;;;;GENER;EPAM;25;0;"<a href=https://www.ebi.ac.uk/chembl/assay_report_card/CHEMBL4323355/  target=_blank>CHEMBL4323355</a>";;;;;;;;;-5.49;;;;;;;;;;;;"Meyer MJ, Neumann VE, Friesacher HR, Zdrazil B, Brockmöller J, Tzvetkov MV.: Opioids as Substrates and Inhibitors of the Genetically Highly Variable Organic Cation Transporter OCT1. J Med Chem, Volume 62 (21), 2019";ChEMBL
MM472427;MM472427;Cc1cc2c(C(=O)NC[C@H](C)c3ccccc3)c(O)c(O)cc2c(O)c1-c1c(C)cc2c(C(=O)NC[C@H](C)c3ccccc3)c(O)c(O)cc2c1O;;700.79;7.58;;;;CHEMBL1094250;GENER;EPAM;25;0;"ph = 7.2, <a href=https://www.ebi.ac.uk/chembl/assay_report_card/CHEMBL1106546/  target=_blank>CHEMBL1106546</a>, mean logPerm value";;;;;;;;;-7.2;;;;;;;;;;;;"Wei J, Stebbins JL, Kitada S, Dash R, Placzek W, Rega MF, Wu B, Cellitti J, Zhai D, Yang L, Dahl R, Fisher PB, Reed JC, Pellecchia M.: BI-97C1, an optically pure Apogossypol derivative as pan-active inhibitor of antiapoptotic B-cell lymphoma/leukemia-2 (Bcl-2) family proteins. J Med Chem, Volume 53 (10), 2010";ChEMBL
MM472426;MM472426;Cc1cc2c(C(=O)NC[C@@H](C)c3ccccc3)c(O)c(O)cc2c(O)c1-c1c(C)cc2c(C(=O)NC[C@@H](C)c3ccccc3)c(O)c(O)cc2c1O;;700.79;7.58;;;;CHEMBL1094366;GENER;EPAM;25;0;"ph = 7.2, <a href=https://www.ebi.ac.uk/chembl/assay_report_card/CHEMBL1106546/  target=_blank>CHEMBL1106546</a>, mean logPerm value";;;;;;;;;-7.82;;;;;;;;;;;;"Wei J, Stebbins JL, Kitada S, Dash R, Placzek W, Rega MF, Wu B, Cellitti J, Zhai D, Yang L, Dahl R, Fisher PB, Reed JC, Pellecchia M.: BI-97C1, an optically pure Apogossypol derivative as pan-active inhibitor of antiapoptotic B-cell lymphoma/leukemia-2 (Bcl-2) family proteins. J Med Chem, Volume 53 (10), 2010";ChEMBL
MM474411;MM474411;O=C(Nc1ccc(F)nc1)[C@@H]1CCC[C@H]1c1nc(Nc2cc(C3CC3)[nH]n2)c2cccn2n1;;446.49;4.13;;;;CHEMBL1222791;GENER;EPAM;25;0;"<a href=https://www.ebi.ac.uk/chembl/assay_report_card/CHEMBL1228262/  target=_blank>CHEMBL1228262</a>, mean logPerm value";;;;;;;;;-4.18;;;;;;;;;;;;"Sampognaro AJ, Wittman MD, Carboni JM, Chang C, Greer AF, Hurlburt WW, Sack JS, Vyas DM.: Proline isosteres in a series of 2,4-disubstituted pyrrolo[1,2-f][1,2,4]triazine inhibitors of IGF-1R kinase and IR kinase. Bioorg Med Chem Lett, Volume 20 (17), 2010";ChEMBL
MM474632;MM474632;NCC1CC1CN(CC1Cc2ccccc2CN1)C1CCCc2cccnc21;;376.55;3.07;145956824;;;CHEMBL4163770;GENER;EPAM;25;0;"<a href=https://www.ebi.ac.uk/chembl/assay_report_card/CHEMBL4144850/  target=_blank>CHEMBL4144850</a>, mean logPerm value";;;;;;;;;-5.58;;;;;;;;;;;;"Jecs E, Miller EJ, Wilson RJ, Nguyen HH, Tahirovic YA, Katzman BM, Truax VM, Kim MB, Kuo KM, Wang T, Sum CS, Cvijic ME, Schroeder GM, Wilson LJ, Liotta DC.: Synthesis of Novel Tetrahydroisoquinoline CXCR4 Antagonists with Rigidified Side-Chains. ACS Med Chem Lett, Volume 9 (2), 2018";ChEMBL
MM473906;MM473906;COc1cc(N2CCN(Cc3ccccn3)CC2)ccc1Nc1nc(NC2CCCCC2)c2[nH]cnc2n1;MMBOXQXVTMVCCQ-UHFFFAOYSA-N;513.65;4.57;68749727;;;CHEMBL2047965;GENER;EPAM;25;0;"<a href=https://www.ebi.ac.uk/chembl/assay_report_card/CHEMBL2049898/  target=_blank>CHEMBL2049898</a>";;;;;;;;;-3.01;;;;;;;;;;;;"Vijay Kumar D, Hoarau C, Bursavich M, Slattum P, Gerrish D, Yager K, Saunders M, Shenderovich M, Roth BL, McKinnon R, Chan A, Cimbora DM, Bradford C, Reeves L, Patton S, Papac DI, Williams BL, Carlson RO.: Lead optimization of purine based orally bioavailable Mps1 (TTK) inhibitors. Bioorg Med Chem Lett, Volume 22 (13), 2012";ChEMBL
MM472919;MM472919;c1ccc(C2Cc3nccn3C2)cc1;;184.24;2.22;12764879;;;CHEMBL465963;GENER;EPAM;25;0;"<a href=https://www.ebi.ac.uk/chembl/assay_report_card/CHEMBL1015850/  target=_blank>CHEMBL1015850</a>, mean logPerm value";;;;;;;;;-4.43;;;;;;;;;;;;"Whitlock GA, Brennan PE, Roberts LR, Stobie A.: Potent and selective alpha1A adrenoceptor partial agonists--novel imidazole frameworks. Bioorg Med Chem Lett, Volume 19 (11), 2009";ChEMBL
MM472922;MM472922;COCc1ccccc1C1CCc2nc[nH]c2C1;;242.32;2.83;44593580;;;CHEMBL466876;GENER;EPAM;25;0;"<a href=https://www.ebi.ac.uk/chembl/assay_report_card/CHEMBL1015850/  target=_blank>CHEMBL1015850</a>, mean logPerm value";;;;;;;;;-4.46;;;;;;;;;;;;"Whitlock GA, Brennan PE, Roberts LR, Stobie A.: Potent and selective alpha1A adrenoceptor partial agonists--novel imidazole frameworks. Bioorg Med Chem Lett, Volume 19 (11), 2009";ChEMBL
Testosterone;MM00423;CC12CCC(=O)C=C1CCC1C2CCC2(C)C(O)CCC12;MUMGGOZAMZWBJJ-UHFFFAOYSA-N;288.43;3.88;6013;DB00624;TES;CHEMBL386630;BBB;EPAM;25;0;"<a href=https://www.ebi.ac.uk/chembl/assay_report_card/CHEMBL4224295/  target=_blank>CHEMBL4224295</a>";;;;;;;;;-4.77;;;;;;;;;;;;"Yang X, Cai P, Liu Q, Wu J, Yin Y, Wang X, Kong L.: Novel 8-hydroxyquinoline derivatives targeting β-amyloid aggregation, metal chelation and oxidative stress against Alzheimer's disease. Bioorg Med Chem, Volume 26 (12), 2018";ChEMBL
Testosterone;MM00423;CC12CCC(=O)C=C1CCC1C2CCC2(C)C(O)CCC12;MUMGGOZAMZWBJJ-UHFFFAOYSA-N;288.43;3.88;6013;DB00624;TES;CHEMBL386630;BBB;EPAM;25;0;"<a href=https://www.ebi.ac.uk/chembl/assay_report_card/CHEMBL4224296/  target=_blank>CHEMBL4224296</a>";;;;;;;;;-4.8;;;;;;;;;;;;"Yang X, Cai P, Liu Q, Wu J, Yin Y, Wang X, Kong L.: Novel 8-hydroxyquinoline derivatives targeting β-amyloid aggregation, metal chelation and oxidative stress against Alzheimer's disease. Bioorg Med Chem, Volume 26 (12), 2018";ChEMBL
Testosterone;MM00423;CC12CCC(=O)C=C1CCC1C2CCC2(C)C(O)CCC12;MUMGGOZAMZWBJJ-UHFFFAOYSA-N;288.43;3.88;6013;DB00624;TES;CHEMBL386630;BBB;EPAM;25;0;"<a href=https://www.ebi.ac.uk/chembl/assay_report_card/CHEMBL3383778/  target=_blank>CHEMBL3383778</a>";;;;;;;;;-4.62;;;;;;;;;;;;"Sola I, Artigas A, Taylor MC, Gbedema SY, Pérez B, Clos MV, Wright CW, Kelly JM, Muñoz-Torrero D.: Synthesis and antiprotozoal activity of oligomethylene- and  p-phenylene-bis(methylene)-linked bis(+)-huprines. Bioorg Med Chem Lett, Volume 24 (23), 2014";ChEMBL
Testosterone;MM00423;CC12CCC(=O)C=C1CCC1C2CCC2(C)C(O)CCC12;MUMGGOZAMZWBJJ-UHFFFAOYSA-N;288.43;3.88;6013;DB00624;TES;CHEMBL386630;BBB;EPAM;25;0;"<a href=https://www.ebi.ac.uk/chembl/assay_report_card/CHEMBL3396583/  target=_blank>CHEMBL3396583</a>";;;;;;;;;-4.98;;;;;;;;;;;;"Huang M, Xie SS, Jiang N, Lan JS, Kong LY, Wang XB.: Multifunctional coumarin derivatives: monoamine oxidase B (MAO-B) inhibition, anti-β-amyloid (Aβ) aggregation and metal chelation properties against Alzheimer's disease. Bioorg Med Chem Lett, Volume 25 (3), 2015";ChEMBL
Testosterone;MM00423;CC12CCC(=O)C=C1CCC1C2CCC2(C)C(O)CCC12;MUMGGOZAMZWBJJ-UHFFFAOYSA-N;288.43;3.88;6013;DB00624;TES;CHEMBL386630;BBB;EPAM;25;0;"ph = 7.4, <a href=https://www.ebi.ac.uk/chembl/assay_report_card/CHEMBL3826274/  target=_blank>CHEMBL3826274</a>";;;;;;;;;-4.95;;;;;;;;;;;;"Hroch L, Benek O, Guest P, Aitken L, Soukup O, Janockova J, Musil K, Dohnal V, Dolezal R, Kuca K, Smith TK, Gunn-Moore F, Musilek K.: Design, synthesis and in vitro evaluation of benzothiazole-based ureas as potential ABAD/17β-HSD10 modulators for Alzheimer's disease treatment. Bioorg Med Chem Lett, Volume 26 (15), 2016";ChEMBL
Testosterone;MM00423;CC12CCC(=O)C=C1CCC1C2CCC2(C)C(O)CCC12;MUMGGOZAMZWBJJ-UHFFFAOYSA-N;288.43;3.88;6013;DB00624;TES;CHEMBL386630;BBB;EPAM;25;0;"<a href=https://www.ebi.ac.uk/chembl/assay_report_card/CHEMBL4004497/  target=_blank>CHEMBL4004497</a>";;;;;;;;;-4.79;;;;;;;;;;;;"Qiang X, Li Y, Yang X, Luo L, Xu R, Zheng Y, Cao Z, Tan Z, Deng Y.: DL-3-n-butylphthalide-Edaravone hybrids as novel dual inhibitors of amyloid-β aggregation and monoamine oxidases with high antioxidant potency for Alzheimer's therapy. Bioorg Med Chem Lett, Volume 27 (4), 2017";ChEMBL
Testosterone;MM00423;CC12CCC(=O)C=C1CCC1C2CCC2(C)C(O)CCC12;MUMGGOZAMZWBJJ-UHFFFAOYSA-N;288.43;3.88;6013;DB00624;TES;CHEMBL386630;BBB;EPAM;25;0;"<a href=https://www.ebi.ac.uk/chembl/assay_report_card/CHEMBL4048115/  target=_blank>CHEMBL4048115</a>";;;;;;;;;-4.79;;;;;;;;;;;;"Sang Z, Wang K, Wang H, Wang H, Ma Q, Han X, Ye M, Yu L, Liu W.: Design, synthesis and biological evaluation of 2-acetyl-5-O-(amino-alkyl)phenol derivatives as multifunctional agents for the treatment of Alzheimer's disease. Bioorg Med Chem Lett, Volume 27 (22), 2017";ChEMBL
Testosterone;MM00423;CC12CCC(=O)C=C1CCC1C2CCC2(C)C(O)CCC12;MUMGGOZAMZWBJJ-UHFFFAOYSA-N;288.43;3.88;6013;DB00624;TES;CHEMBL386630;BBB;EPAM;25;0;"<a href=https://www.ebi.ac.uk/chembl/assay_report_card/CHEMBL1943846/  target=_blank>CHEMBL1943846</a>";;;;;;;;;-4.61;;;;;;;;;;;;"González-Muñoz GC, Arce MP, López B, Pérez C, Romero A, del Barrio L, Martín-de-Saavedra MD, Egea J, León R, Villarroya M, López MG, García AG, Conde S, Rodríguez-Franco MI.: N-acylaminophenothiazines: neuroprotective agents displaying multifunctional activities for a potential treatment of Alzheimer's disease. Eur J Med Chem, Volume 46 (6), 2011";ChEMBL
Testosterone;MM00423;CC12CCC(=O)C=C1CCC1C2CCC2(C)C(O)CCC12;MUMGGOZAMZWBJJ-UHFFFAOYSA-N;288.43;3.88;6013;DB00624;TES;CHEMBL386630;BBB;EPAM;25;0;"<a href=https://www.ebi.ac.uk/chembl/assay_report_card/CHEMBL1936479/  target=_blank>CHEMBL1936479</a>";;;;;;;;;-4.8;;;;;;;;;;;;"Chiriano G, De Simone A, Mancini F, Perez DI, Cavalli A, Bolognesi ML, Legname G, Martinez A, Andrisano V, Carloni P, Roberti M.: A small chemical library of 2-aminoimidazole derivatives as BACE-1 inhibitors: Structure-based design, synthesis, and biological evaluation. Eur J Med Chem, Volume 48, 2012";ChEMBL
Testosterone;MM00423;CC12CCC(=O)C=C1CCC1C2CCC2(C)C(O)CCC12;MUMGGOZAMZWBJJ-UHFFFAOYSA-N;288.43;3.88;6013;DB00624;TES;CHEMBL386630;BBB;EPAM;25;0;"<a href=https://www.ebi.ac.uk/chembl/assay_report_card/CHEMBL2162575/  target=_blank>CHEMBL2162575</a>";;;;;;;;;-4.79;;;;;;;;;;;;"Chavarría C, Perez DI, Pérez C, Morales Garcia JA, Alonso-Gil S, Pérez-Castillo A, Gil C, Souza JM, Porcal W.: Microwave-assisted synthesis of hydroxyphenyl nitrones with protective action against oxidative stress. Eur J Med Chem, Volume 58, 2012";ChEMBL
Testosterone;MM00423;CC12CCC(=O)C=C1CCC1C2CCC2(C)C(O)CCC12;MUMGGOZAMZWBJJ-UHFFFAOYSA-N;288.43;3.88;6013;DB00624;TES;CHEMBL386630;BBB;EPAM;25;0;"<a href=https://www.ebi.ac.uk/chembl/assay_report_card/CHEMBL3364959/  target=_blank>CHEMBL3364959</a>";;;;;;;;;-4.61;;;;;;;;;;;;"Di Pietro O, Pérez-Areales FJ, Juárez-Jiménez J, Espargaró A, Clos MV, Pérez B, Lavilla R, Sabaté R, Luque FJ, Muñoz-Torrero D.: Tetrahydrobenzo[h][1,6]naphthyridine-6-chlorotacrine hybrids as a new family of anti-Alzheimer agents targeting β-amyloid, tau, and cholinesterase pathologies. Eur J Med Chem, Volume 84, 2014";ChEMBL
Testosterone;MM00423;CC12CCC(=O)C=C1CCC1C2CCC2(C)C(O)CCC12;MUMGGOZAMZWBJJ-UHFFFAOYSA-N;288.43;3.88;6013;DB00624;TES;CHEMBL386630;BBB;EPAM;25;0;"<a href=https://www.ebi.ac.uk/chembl/assay_report_card/CHEMBL3412995/  target=_blank>CHEMBL3412995</a>";;;;;;;;;-4.85;;;;;;;;;;;;"Xie SS, Lan JS, Wang XB, Jiang N, Dong G, Li ZR, Wang KD, Guo PP, Kong LY.: Multifunctional tacrine-trolox hybrids for the treatment of Alzheimer's disease with cholinergic, antioxidant, neuroprotective and hepatoprotective properties. Eur J Med Chem, Volume 93, 2015";ChEMBL
Testosterone;MM00423;CC12CCC(=O)C=C1CCC1C2CCC2(C)C(O)CCC12;MUMGGOZAMZWBJJ-UHFFFAOYSA-N;288.43;3.88;6013;DB00624;TES;CHEMBL386630;BBB;EPAM;25;0;"<a href=https://www.ebi.ac.uk/chembl/assay_report_card/CHEMBL3418564/  target=_blank>CHEMBL3418564</a>";;;;;;;;;-4.77;;;;;;;;;;;;"Xie SS, Wang X, Jiang N, Yu W, Wang KD, Lan JS, Li ZR, Kong LY.: Multi-target tacrine-coumarin hybrids: cholinesterase and monoamine oxidase B inhibition properties against Alzheimer's disease. Eur J Med Chem, Volume 95, 2015";ChEMBL
Testosterone;MM00423;CC12CCC(=O)C=C1CCC1C2CCC2(C)C(O)CCC12;MUMGGOZAMZWBJJ-UHFFFAOYSA-N;288.43;3.88;6013;DB00624;TES;CHEMBL386630;BBB;EPAM;25;0;"<a href=https://www.ebi.ac.uk/chembl/assay_report_card/CHEMBL3743403/  target=_blank>CHEMBL3743403</a>";;;;;;;;;-4.77;;;;;;;;;;;;"Di Pietro O, Vicente-García E, Taylor MC, Berenguer D, Viayna E, Lanzoni A, Sola I, Sayago H, Riera C, Fisa R, Clos MV, Pérez B, Kelly JM, Lavilla R, Muñoz-Torrero D.: Multicomponent reaction-based synthesis and biological evaluation of tricyclic heterofused quinolines with multi-trypanosomatid activity. Eur J Med Chem, Volume 105, 2015";ChEMBL
Testosterone;MM00423;CC12CCC(=O)C=C1CCC1C2CCC2(C)C(O)CCC12;MUMGGOZAMZWBJJ-UHFFFAOYSA-N;288.43;3.88;6013;DB00624;TES;CHEMBL386630;BBB;EPAM;25;0;"<a href=https://www.ebi.ac.uk/chembl/assay_report_card/CHEMBL3870528/  target=_blank>CHEMBL3870528</a>";;;;;;;;;-4.8;;;;;;;;;;;;"Wang ZM, Cai P, Liu QH, Xu DQ, Yang XL, Wu JJ, Kong LY, Wang XB.: Rational modification of donepezil as multifunctional acetylcholinesterase inhibitors for the treatment of Alzheimer's disease. Eur J Med Chem, Volume 123, 2016";ChEMBL
Testosterone;MM00423;CC12CCC(=O)C=C1CCC1C2CCC2(C)C(O)CCC12;MUMGGOZAMZWBJJ-UHFFFAOYSA-N;288.43;3.88;6013;DB00624;TES;CHEMBL386630;BBB;EPAM;25;0;"<a href=https://www.ebi.ac.uk/chembl/assay_report_card/CHEMBL3870551/  target=_blank>CHEMBL3870551</a>";;;;;;;;;-4.77;;;;;;;;;;;;"Wang ZM, Cai P, Liu QH, Xu DQ, Yang XL, Wu JJ, Kong LY, Wang XB.: Rational modification of donepezil as multifunctional acetylcholinesterase inhibitors for the treatment of Alzheimer's disease. Eur J Med Chem, Volume 123, 2016";ChEMBL
Testosterone;MM00423;CC12CCC(=O)C=C1CCC1C2CCC2(C)C(O)CCC12;MUMGGOZAMZWBJJ-UHFFFAOYSA-N;288.43;3.88;6013;DB00624;TES;CHEMBL386630;BBB;EPAM;25;0;"<a href=https://www.ebi.ac.uk/chembl/assay_report_card/CHEMBL3878269/  target=_blank>CHEMBL3878269</a>";;;;;;;;;-4.95;;;;;;;;;;;;"Panek D, Więckowska A, Wichur T, Bajda M, Godyń J, Jończyk J, Mika K, Janockova J, Soukup O, Knez D, Korabecny J, Gobec S, Malawska B.: Design, synthesis and biological evaluation of new phthalimide and saccharin derivatives with alicyclic amines targeting cholinesterases, beta-secretase and amyloid beta aggregation. Eur J Med Chem, Volume 125, 2017";ChEMBL
Testosterone;MM00423;CC12CCC(=O)C=C1CCC1C2CCC2(C)C(O)CCC12;MUMGGOZAMZWBJJ-UHFFFAOYSA-N;288.43;3.88;6013;DB00624;TES;CHEMBL386630;BBB;EPAM;25;0;"<a href=https://www.ebi.ac.uk/chembl/assay_report_card/CHEMBL4003401/  target=_blank>CHEMBL4003401</a>";;;;;;;;;-4.79;;;;;;;;;;;;"Li Y, Qiang X, Luo L, Yang X, Xiao G, Liu Q, Ai J, Tan Z, Deng Y.: Aurone Mannich base derivatives as promising multifunctional agents with acetylcholinesterase inhibition, anti-β-amyloid aggragation and neuroprotective properties for the treatment of Alzheimer's disease. Eur J Med Chem, Volume 126, 2017";ChEMBL
Testosterone;MM00423;CC12CCC(=O)C=C1CCC1C2CCC2(C)C(O)CCC12;MUMGGOZAMZWBJJ-UHFFFAOYSA-N;288.43;3.88;6013;DB00624;TES;CHEMBL386630;BBB;EPAM;25;0;"<a href=https://www.ebi.ac.uk/chembl/assay_report_card/CHEMBL4003402/  target=_blank>CHEMBL4003402</a>";;;;;;;;;-4.77;;;;;;;;;;;;"Li Y, Qiang X, Luo L, Yang X, Xiao G, Liu Q, Ai J, Tan Z, Deng Y.: Aurone Mannich base derivatives as promising multifunctional agents with acetylcholinesterase inhibition, anti-β-amyloid aggragation and neuroprotective properties for the treatment of Alzheimer's disease. Eur J Med Chem, Volume 126, 2017";ChEMBL
Testosterone;MM00423;CC12CCC(=O)C=C1CCC1C2CCC2(C)C(O)CCC12;MUMGGOZAMZWBJJ-UHFFFAOYSA-N;288.43;3.88;6013;DB00624;TES;CHEMBL386630;BBB;EPAM;25;0;"<a href=https://www.ebi.ac.uk/chembl/assay_report_card/CHEMBL4192184/  target=_blank>CHEMBL4192184</a>";;;;;;;;;-4.77;;;;;;;;;;;;"Salado IG, Zaldivar-Diez J, Sebastián-Pérez V, Li L, Geiger L, González S, Campillo NE, Gil C, Morales AV, Perez DI, Martinez A.: Leucine rich repeat kinase 2 (LRRK2) inhibitors based on indolinone scaffold: Potential pro-neurogenic agents. Eur J Med Chem, Volume 138, 2017";ChEMBL
Testosterone;MM00423;CC12CCC(=O)C=C1CCC1C2CCC2(C)C(O)CCC12;MUMGGOZAMZWBJJ-UHFFFAOYSA-N;288.43;3.88;6013;DB00624;TES;CHEMBL386630;BBB;EPAM;25;0;"<a href=https://www.ebi.ac.uk/chembl/assay_report_card/CHEMBL4192765/  target=_blank>CHEMBL4192765</a>";;;;;;;;;-4.96;;;;;;;;;;;;"Yang HL, Cai P, Liu QH, Yang XL, Li F, Wang J, Wu JJ, Wang XB, Kong LY.: Design, synthesis and evaluation of coumarin-pargyline hybrids as novel dual inhibitors of monoamine oxidases and amyloid-β aggregation for the treatment of Alzheimer's disease. Eur J Med Chem, Volume 138, 2017";ChEMBL
Testosterone;MM00423;CC12CCC(=O)C=C1CCC1C2CCC2(C)C(O)CCC12;MUMGGOZAMZWBJJ-UHFFFAOYSA-N;288.43;3.88;6013;DB00624;TES;CHEMBL386630;BBB;EPAM;25;0;"<a href=https://www.ebi.ac.uk/chembl/assay_report_card/CHEMBL4192766/  target=_blank>CHEMBL4192766</a>";;;;;;;;;-4.77;;;;;;;;;;;;"Yang HL, Cai P, Liu QH, Yang XL, Li F, Wang J, Wu JJ, Wang XB, Kong LY.: Design, synthesis and evaluation of coumarin-pargyline hybrids as novel dual inhibitors of monoamine oxidases and amyloid-β aggregation for the treatment of Alzheimer's disease. Eur J Med Chem, Volume 138, 2017";ChEMBL
Testosterone;MM00423;CC12CCC(=O)C=C1CCC1C2CCC2(C)C(O)CCC12;MUMGGOZAMZWBJJ-UHFFFAOYSA-N;288.43;3.88;6013;DB00624;TES;CHEMBL386630;BBB;EPAM;25;0;"<a href=https://www.ebi.ac.uk/chembl/assay_report_card/CHEMBL4132647/  target=_blank>CHEMBL4132647</a>";;;;;;;;;-4.95;;;;;;;;;;;;"De Simone A, Bartolini M, Baschieri A, Apperley KYP, Chen HH, Guardigni M, Montanari S, Kobrlova T, Soukup O, Valgimigli L, Andrisano V, Keillor JW, Basso M, Milelli A.: Hydroxy-substituted trans-cinnamoyl derivatives as multifunctional tools in the context of Alzheimer's disease. Eur J Med Chem, Volume 139, 2017";ChEMBL
Testosterone;MM00423;CC12CCC(=O)C=C1CCC1C2CCC2(C)C(O)CCC12;MUMGGOZAMZWBJJ-UHFFFAOYSA-N;288.43;3.88;6013;DB00624;TES;CHEMBL386630;BBB;EPAM;25;0;"<a href=https://www.ebi.ac.uk/chembl/assay_report_card/CHEMBL4147571/  target=_blank>CHEMBL4147571</a>";;;;;;;;;-4.62;;;;;;;;;;;;"Jiang N, Huang Q, Liu J, Liang N, Li Q, Li Q, Xie SS.: Design, synthesis and biological evaluation of new coumarin-dithiocarbamate hybrids as multifunctional agents for the treatment of Alzheimer's disease. Eur J Med Chem, Volume 146, 2018";ChEMBL
Testosterone;MM00423;CC12CCC(=O)C=C1CCC1C2CCC2(C)C(O)CCC12;MUMGGOZAMZWBJJ-UHFFFAOYSA-N;288.43;3.88;6013;DB00624;TES;CHEMBL386630;BBB;EPAM;25;0;"<a href=https://www.ebi.ac.uk/chembl/assay_report_card/CHEMBL4147572/  target=_blank>CHEMBL4147572</a>";;;;;;;;;-4.77;;;;;;;;;;;;"Jiang N, Huang Q, Liu J, Liang N, Li Q, Li Q, Xie SS.: Design, synthesis and biological evaluation of new coumarin-dithiocarbamate hybrids as multifunctional agents for the treatment of Alzheimer's disease. Eur J Med Chem, Volume 146, 2018";ChEMBL
Testosterone;MM00423;CC12CCC(=O)C=C1CCC1C2CCC2(C)C(O)CCC12;MUMGGOZAMZWBJJ-UHFFFAOYSA-N;288.43;3.88;6013;DB00624;TES;CHEMBL386630;BBB;EPAM;25;0;"<a href=https://www.ebi.ac.uk/chembl/assay_report_card/CHEMBL4198703/  target=_blank>CHEMBL4198703</a>";;;;;;;;;-5.07;;;;;;;;;;;;"Hepnarova V, Korabecny J, Matouskova L, Jost P, Muckova L, Hrabinova M, Vykoukalova N, Kerhartova M, Kucera T, Dolezal R, Nepovimova E, Spilovska K, Mezeiova E, Pham NL, Jun D, Staud F, Kaping D, Kuca K, Soukup O.: The concept of hybrid molecules of tacrine and benzyl quinolone carboxylic acid (BQCA) as multifunctional agents for Alzheimer's disease. Eur J Med Chem, Volume 150, 2018";ChEMBL
Testosterone;MM00423;CC12CCC(=O)C=C1CCC1C2CCC2(C)C(O)CCC12;MUMGGOZAMZWBJJ-UHFFFAOYSA-N;288.43;3.88;6013;DB00624;TES;CHEMBL386630;BBB;EPAM;25;0;"<a href=https://www.ebi.ac.uk/chembl/assay_report_card/CHEMBL4198704/  target=_blank>CHEMBL4198704</a>";;;;;;;;;-4.94;;;;;;;;;;;;"Hepnarova V, Korabecny J, Matouskova L, Jost P, Muckova L, Hrabinova M, Vykoukalova N, Kerhartova M, Kucera T, Dolezal R, Nepovimova E, Spilovska K, Mezeiova E, Pham NL, Jun D, Staud F, Kaping D, Kuca K, Soukup O.: The concept of hybrid molecules of tacrine and benzyl quinolone carboxylic acid (BQCA) as multifunctional agents for Alzheimer's disease. Eur J Med Chem, Volume 150, 2018";ChEMBL
Testosterone;MM00423;CC12CCC(=O)C=C1CCC1C2CCC2(C)C(O)CCC12;MUMGGOZAMZWBJJ-UHFFFAOYSA-N;288.43;3.88;6013;DB00624;TES;CHEMBL386630;BBB;EPAM;25;0;"<a href=https://www.ebi.ac.uk/chembl/assay_report_card/CHEMBL3239333/  target=_blank>CHEMBL3239333</a>";;;;;;;;;-4.66;;;;;;;;;;;;"Salado IG, Redondo M, Bello ML, Perez C, Liachko NF, Kraemer BC, Miguel L, Lecourtois M, Gil C, Martinez A, Perez DI.: Protein kinase CK-1 inhibitors as new potential drugs for amyotrophic lateral sclerosis. J Med Chem, Volume 57 (6), 2014";ChEMBL
Testosterone;MM00423;CC12CCC(=O)C=C1CCC1C2CCC2(C)C(O)CCC12;MUMGGOZAMZWBJJ-UHFFFAOYSA-N;288.43;3.88;6013;DB00624;TES;CHEMBL386630;BBB;EPAM;25;0;"<a href=https://www.ebi.ac.uk/chembl/assay_report_card/CHEMBL1105051/  target=_blank>CHEMBL1105051</a>";;;;;;;;;-4.61;;;;;;;;;;;;"Arce MP, Rodríguez-Franco MI, González-Muñoz GC, Pérez C, López B, Villarroya M, López MG, García AG, Conde S.: Neuroprotective and cholinergic properties of multifunctional glutamic acid derivatives for the treatment of Alzheimer's disease. J Med Chem, Volume 52 (22), 2009";ChEMBL
Testosterone;MM00423;CC12CCC(=O)C=C1CCC1C2CCC2(C)C(O)CCC12;MUMGGOZAMZWBJJ-UHFFFAOYSA-N;288.43;3.88;6013;DB00624;TES;CHEMBL386630;BBB;EPAM;25;0;"<a href=https://www.ebi.ac.uk/chembl/assay_report_card/CHEMBL4259691/  target=_blank>CHEMBL4259691</a>";;;;;;;;;-4.77;;;;;;;;;;;;"Nath C, Badavath VN, Thakur A, Ucar G, Acevedo O, Mohd Siddique MU, Jayaprakash V.: Curcumin-based pyrazoline analogues as selective inhibitors of human monoamine oxidase A. Medchemcomm, Volume 9 (7), 2018";ChEMBL
Testosterone;MM00423;CC12CCC(=O)C=C1CCC1C2CCC2(C)C(O)CCC12;MUMGGOZAMZWBJJ-UHFFFAOYSA-N;288.43;3.88;6013;DB00624;TES;CHEMBL386630;BBB;EPAM;25;0;"<a href=https://www.ebi.ac.uk/chembl/assay_report_card/CHEMBL4259692/  target=_blank>CHEMBL4259692</a>";;;;;;;;;-4.79;;;;;;;;;;;;"Nath C, Badavath VN, Thakur A, Ucar G, Acevedo O, Mohd Siddique MU, Jayaprakash V.: Curcumin-based pyrazoline analogues as selective inhibitors of human monoamine oxidase A. Medchemcomm, Volume 9 (7), 2018";ChEMBL
MM474242;MM474242;CN(C)c1ccc(C=CC(=O)c2ccc(OC(=O)N3CCCC3)cc2O)cc1;DYYGMZIYOXBTFZ-KPKJPENVSA-N;380.44;3.95;132819950;;;CHEMBL3884602;BBB;EPAM;25;0;"<a href=https://www.ebi.ac.uk/chembl/assay_report_card/CHEMBL3876767/  target=_blank>CHEMBL3876767</a>";;;;;;;;;-5.15;;;;;;;;;;;;"Xiao G, Li Y, Qiang X, Xu R, Zheng Y, Cao Z, Luo L, Yang X, Sang Z, Su F, Deng Y.: Design, synthesis and biological evaluation of 4'-aminochalcone-rivastigmine hybrids as multifunctional agents for the treatment of Alzheimer's disease. Bioorg Med Chem, Volume 25 (3), 2017";ChEMBL
MM473313;MM473313;CCCN(CCC)Cc1cn(-c2cc(NC(=S)NCC)ncn2)cn1;OLKNAMLUPSCWCC-UHFFFAOYSA-N;361.52;2.59;132520941;;;CHEMBL3890610;BBB;EPAM;25;0;"<a href=https://www.ebi.ac.uk/chembl/assay_report_card/CHEMBL3858482/  target=_blank>CHEMBL3858482</a>";;;;;;;;;-5.12;;;;;;;;;;;;"Li X, Wang H, Lu Z, Zheng X, Ni W, Zhu J, Fu Y, Lian F, Zhang N, Li J, Zhang H, Mao F.: Development of Multifunctional Pyrimidinylthiourea Derivatives as Potential Anti-Alzheimer Agents. J Med Chem, Volume 59 (18), 2016";ChEMBL
MM473330;MM473330;CC1=CC2Cc3nc4cc(Cl)ccc4c(NCCCCCCN=C(N)N)c3C(C1)C2;IAZSQKSRZRNGSU-DLBZAZTESA-N;426.01;5.34;134136924;;;CHEMBL3890983;BBB;EPAM;25;0;"<a href=https://www.ebi.ac.uk/chembl/assay_report_card/CHEMBL3859148/  target=_blank>CHEMBL3859148</a>";;;;;;;;;-5.54;;;;;;;;;;;;"Sola I, Artigas A, Taylor MC, Pérez-Areales FJ, Viayna E, Clos MV, Pérez B, Wright CW, Kelly JM, Muñoz-Torrero D.: Synthesis and biological evaluation of N-cyanoalkyl-, N-aminoalkyl-, and N-guanidinoalkyl-substituted 4-aminoquinoline derivatives as potent, selective, brain permeable antitrypanosomal agents. Bioorg Med Chem, Volume 24 (21), 2016";ChEMBL
MM473345;MM473345;COc1cc2c(cc1OC)C(=O)C(CC1CCN(Cc3ncccc3C)CC1)C2;GMORXUFYAMIBNR-UHFFFAOYSA-N;394.52;4.06;;;;;BBB;EPAM;25;0;"<a href=https://www.ebi.ac.uk/chembl/assay_report_card/CHEMBL3870528/  target=_blank>CHEMBL3870528</a>";;;;;;;;;-5.08;;;;;;;;;;;;"Wang ZM, Cai P, Liu QH, Xu DQ, Yang XL, Wu JJ, Kong LY, Wang XB.: Rational modification of donepezil as multifunctional acetylcholinesterase inhibitors for the treatment of Alzheimer's disease. Eur J Med Chem, Volume 123, 2016";ChEMBL
MM473358;MM473358;O=C1c2ccccc2S(=O)(=O)N1CCCCCN1CCN(Cc2ccccc2F)CC1;ZKXDQVLLTMSLKX-UHFFFAOYSA-N;445.56;2.96;;;;;BBB;EPAM;25;0;"<a href=https://www.ebi.ac.uk/chembl/assay_report_card/CHEMBL3878269/  target=_blank>CHEMBL3878269</a>";;;;;;;;;-5.02;;;;;;;;;;;;"Panek D, Więckowska A, Wichur T, Bajda M, Godyń J, Jończyk J, Mika K, Janockova J, Soukup O, Knez D, Korabecny J, Gobec S, Malawska B.: Design, synthesis and biological evaluation of new phthalimide and saccharin derivatives with alicyclic amines targeting cholinesterases, beta-secretase and amyloid beta aggregation. Eur J Med Chem, Volume 125, 2017";ChEMBL
MM474567;MM474567;CCOc1ccc(CC2CCN(c3ncc(C(=O)NO)cn3)CC2)cc1-c1nc2c(CC)nn(C)c2c(=O)[nH]1;VLMYLGPYYNFPET-UHFFFAOYSA-N;532.61;2.65;137289866;;;CHEMBL3895838;BBB;EPAM;25;0;"<a href=https://www.ebi.ac.uk/chembl/assay_report_card/CHEMBL3861001/  target=_blank>CHEMBL3861001</a>";;;;;;;;;-6.39;;;;;;;;;;;;"Rabal O, Sánchez-Arias JA, Cuadrado-Tejedor M, de Miguel I, Pérez-González M, García-Barroso C, Ugarte A, Estella-Hermoso de Mendoza A, Sáez E, Espelosin M, Ursua S, Haizhong T, Wei W, Musheng X, Garcia-Osta A, Oyarzabal J.: Design, Synthesis, and Biological Evaluation of First-in-Class Dual Acting Histone Deacetylases (HDACs) and Phosphodiesterase 5 (PDE5) Inhibitors for the Treatment of Alzheimer's Disease. J Med Chem, Volume 59 (19), 2016";ChEMBL
Hydrocortisone;MM00044;CC12CCC(=O)C=C1CCC1C2C(O)CC2(C)C1CCC2(O)C(=O)CO;JYGXADMDTFJGBT-UHFFFAOYSA-N;362.47;1.78;5754;DB00741;HCY;CHEMBL389621;BBB;EPAM;25;0;"<a href=https://www.ebi.ac.uk/chembl/assay_report_card/CHEMBL2415138/  target=_blank>CHEMBL2415138</a>";;;;;;;;;-5.74;;;;;;;;;;;;"Ning X, Guo Y, Ma X, Zhu R, Tian C, Zhang Z, Wang X, Ma Z, Liu J.: Design, synthesis and pharmacological evaluation of (E)-3,4-dihydroxy styryl sulfonamides derivatives as multifunctional neuroprotective agents against oxidative and inflammatory injury. Bioorg Med Chem, Volume 21 (17), 2013";ChEMBL
Hydrocortisone;MM00044;CC12CCC(=O)C=C1CCC1C2C(O)CC2(C)C1CCC2(O)C(=O)CO;JYGXADMDTFJGBT-UHFFFAOYSA-N;362.47;1.78;5754;DB00741;HCY;CHEMBL389621;BBB;EPAM;25;0;"<a href=https://www.ebi.ac.uk/chembl/assay_report_card/CHEMBL3384483/  target=_blank>CHEMBL3384483</a>";;;;;;;;;-5.76;;;;;;;;;;;;"Lan JS, Xie SS, Li SY, Pan LF, Wang XB, Kong LY.: Design, synthesis and evaluation of novel tacrine-(β-carboline) hybrids as multifunctional agents for the treatment of Alzheimer's disease. Bioorg Med Chem, Volume 22 (21), 2014";ChEMBL
Hydrocortisone;MM00044;CC12CCC(=O)C=C1CCC1C2C(O)CC2(C)C1CCC2(O)C(=O)CO;JYGXADMDTFJGBT-UHFFFAOYSA-N;362.47;1.78;5754;DB00741;HCY;CHEMBL389621;BBB;EPAM;25;0;"ph = 7.4, <a href=https://www.ebi.ac.uk/chembl/assay_report_card/CHEMBL3767515/  target=_blank>CHEMBL3767515</a>";;;;;;;;;-5.85;;;;;;;;;;;;"Xie SS, Lan JS, Wang X, Wang ZM, Jiang N, Li F, Wu JJ, Wang J, Kong LY.: Design, synthesis and biological evaluation of novel donepezil-coumarin hybrids as multi-target agents for the treatment of Alzheimer's disease. Bioorg Med Chem, Volume 24 (7), 2016";ChEMBL
Hydrocortisone;MM00044;CC12CCC(=O)C=C1CCC1C2C(O)CC2(C)C1CCC2(O)C(=O)CO;JYGXADMDTFJGBT-UHFFFAOYSA-N;362.47;1.78;5754;DB00741;HCY;CHEMBL389621;BBB;EPAM;25;0;"ph = 7.4, <a href=https://www.ebi.ac.uk/chembl/assay_report_card/CHEMBL3767688/  target=_blank>CHEMBL3767688</a>";;;;;;;;;-5.72;;;;;;;;;;;;"Xie SS, Lan JS, Wang X, Wang ZM, Jiang N, Li F, Wu JJ, Wang J, Kong LY.: Design, synthesis and biological evaluation of novel donepezil-coumarin hybrids as multi-target agents for the treatment of Alzheimer's disease. Bioorg Med Chem, Volume 24 (7), 2016";ChEMBL
Hydrocortisone;MM00044;CC12CCC(=O)C=C1CCC1C2C(O)CC2(C)C1CCC2(O)C(=O)CO;JYGXADMDTFJGBT-UHFFFAOYSA-N;362.47;1.78;5754;DB00741;HCY;CHEMBL389621;BBB;EPAM;25;0;"<a href=https://www.ebi.ac.uk/chembl/assay_report_card/CHEMBL3859151/  target=_blank>CHEMBL3859151</a>";;;;;;;;;-5.72;;;;;;;;;;;;"Sola I, Artigas A, Taylor MC, Pérez-Areales FJ, Viayna E, Clos MV, Pérez B, Wright CW, Kelly JM, Muñoz-Torrero D.: Synthesis and biological evaluation of N-cyanoalkyl-, N-aminoalkyl-, and N-guanidinoalkyl-substituted 4-aminoquinoline derivatives as potent, selective, brain permeable antitrypanosomal agents. Bioorg Med Chem, Volume 24 (21), 2016";ChEMBL
Hydrocortisone;MM00044;CC12CCC(=O)C=C1CCC1C2C(O)CC2(C)C1CCC2(O)C(=O)CO;JYGXADMDTFJGBT-UHFFFAOYSA-N;362.47;1.78;5754;DB00741;HCY;CHEMBL389621;BBB;EPAM;25;0;"<a href=https://www.ebi.ac.uk/chembl/assay_report_card/CHEMBL4224295/  target=_blank>CHEMBL4224295</a>";;;;;;;;;-5.72;;;;;;;;;;;;"Yang X, Cai P, Liu Q, Wu J, Yin Y, Wang X, Kong L.: Novel 8-hydroxyquinoline derivatives targeting β-amyloid aggregation, metal chelation and oxidative stress against Alzheimer's disease. Bioorg Med Chem, Volume 26 (12), 2018";ChEMBL
Hydrocortisone;MM00044;CC12CCC(=O)C=C1CCC1C2C(O)CC2(C)C1CCC2(O)C(=O)CO;JYGXADMDTFJGBT-UHFFFAOYSA-N;362.47;1.78;5754;DB00741;HCY;CHEMBL389621;BBB;EPAM;25;0;"<a href=https://www.ebi.ac.uk/chembl/assay_report_card/CHEMBL4224296/  target=_blank>CHEMBL4224296</a>";;;;;;;;;-5.71;;;;;;;;;;;;"Yang X, Cai P, Liu Q, Wu J, Yin Y, Wang X, Kong L.: Novel 8-hydroxyquinoline derivatives targeting β-amyloid aggregation, metal chelation and oxidative stress against Alzheimer's disease. Bioorg Med Chem, Volume 26 (12), 2018";ChEMBL
Hydrocortisone;MM00044;CC12CCC(=O)C=C1CCC1C2C(O)CC2(C)C1CCC2(O)C(=O)CO;JYGXADMDTFJGBT-UHFFFAOYSA-N;362.47;1.78;5754;DB00741;HCY;CHEMBL389621;BBB;EPAM;25;0;"<a href=https://www.ebi.ac.uk/chembl/assay_report_card/CHEMBL1960718/  target=_blank>CHEMBL1960718</a>";;;;;;;;;-5.64;;;;;;;;;;;;"Tang H, Zhao HT, Zhong SM, Wang ZY, Chen ZF, Liang H.: Novel oxoisoaporphine-based inhibitors of acetyl- and butyrylcholinesterase and acetylcholinesterase-induced beta-amyloid aggregation. Bioorg Med Chem Lett, Volume 22 (6), 2012";ChEMBL
Hydrocortisone;MM00044;CC12CCC(=O)C=C1CCC1C2C(O)CC2(C)C1CCC2(O)C(=O)CO;JYGXADMDTFJGBT-UHFFFAOYSA-N;362.47;1.78;5754;DB00741;HCY;CHEMBL389621;BBB;EPAM;25;0;"<a href=https://www.ebi.ac.uk/chembl/assay_report_card/CHEMBL3383778/  target=_blank>CHEMBL3383778</a>";;;;;;;;;-5.85;;;;;;;;;;;;"Sola I, Artigas A, Taylor MC, Gbedema SY, Pérez B, Clos MV, Wright CW, Kelly JM, Muñoz-Torrero D.: Synthesis and antiprotozoal activity of oligomethylene- and  p-phenylene-bis(methylene)-linked bis(+)-huprines. Bioorg Med Chem Lett, Volume 24 (23), 2014";ChEMBL
Hydrocortisone;MM00044;CC12CCC(=O)C=C1CCC1C2C(O)CC2(C)C1CCC2(O)C(=O)CO;JYGXADMDTFJGBT-UHFFFAOYSA-N;362.47;1.78;5754;DB00741;HCY;CHEMBL389621;BBB;EPAM;25;0;"<a href=https://www.ebi.ac.uk/chembl/assay_report_card/CHEMBL3396583/  target=_blank>CHEMBL3396583</a>";;;;;;;;;-5.94;;;;;;;;;;;;"Huang M, Xie SS, Jiang N, Lan JS, Kong LY, Wang XB.: Multifunctional coumarin derivatives: monoamine oxidase B (MAO-B) inhibition, anti-β-amyloid (Aβ) aggregation and metal chelation properties against Alzheimer's disease. Bioorg Med Chem Lett, Volume 25 (3), 2015";ChEMBL
Hydrocortisone;MM00044;CC12CCC(=O)C=C1CCC1C2C(O)CC2(C)C1CCC2(O)C(=O)CO;JYGXADMDTFJGBT-UHFFFAOYSA-N;362.47;1.78;5754;DB00741;HCY;CHEMBL389621;BBB;EPAM;25;0;"ph = 7.4, <a href=https://www.ebi.ac.uk/chembl/assay_report_card/CHEMBL3826274/  target=_blank>CHEMBL3826274</a>";;;;;;;;;-5.54;;;;;;;;;;;;"Hroch L, Benek O, Guest P, Aitken L, Soukup O, Janockova J, Musil K, Dohnal V, Dolezal R, Kuca K, Smith TK, Gunn-Moore F, Musilek K.: Design, synthesis and in vitro evaluation of benzothiazole-based ureas as potential ABAD/17β-HSD10 modulators for Alzheimer's disease treatment. Bioorg Med Chem Lett, Volume 26 (15), 2016";ChEMBL
Hydrocortisone;MM00044;CC12CCC(=O)C=C1CCC1C2C(O)CC2(C)C1CCC2(O)C(=O)CO;JYGXADMDTFJGBT-UHFFFAOYSA-N;362.47;1.78;5754;DB00741;HCY;CHEMBL389621;BBB;EPAM;25;0;"<a href=https://www.ebi.ac.uk/chembl/assay_report_card/CHEMBL1833719/  target=_blank>CHEMBL1833719</a>";;;;;;;;;-5.64;;;;;;;;;;;;"Tang H, Zhao LZ, Zhao HT, Huang SL, Zhong SM, Qin JK, Chen ZF, Huang ZS, Liang H.: Hybrids of oxoisoaporphine-tacrine congeners: novel acetylcholinesterase and acetylcholinesterase-induced β-amyloid aggregation inhibitors. Eur J Med Chem, Volume 46 (10), 2011";ChEMBL
Hydrocortisone;MM00044;CC12CCC(=O)C=C1CCC1C2C(O)CC2(C)C1CCC2(O)C(=O)CO;JYGXADMDTFJGBT-UHFFFAOYSA-N;362.47;1.78;5754;DB00741;HCY;CHEMBL389621;BBB;EPAM;25;0;"<a href=https://www.ebi.ac.uk/chembl/assay_report_card/CHEMBL1936479/  target=_blank>CHEMBL1936479</a>";;;;;;;;;-6.22;;;;;;;;;;;;"Chiriano G, De Simone A, Mancini F, Perez DI, Cavalli A, Bolognesi ML, Legname G, Martinez A, Andrisano V, Carloni P, Roberti M.: A small chemical library of 2-aminoimidazole derivatives as BACE-1 inhibitors: Structure-based design, synthesis, and biological evaluation. Eur J Med Chem, Volume 48, 2012";ChEMBL
Hydrocortisone;MM00044;CC12CCC(=O)C=C1CCC1C2C(O)CC2(C)C1CCC2(O)C(=O)CO;JYGXADMDTFJGBT-UHFFFAOYSA-N;362.47;1.78;5754;DB00741;HCY;CHEMBL389621;BBB;EPAM;25;0;"<a href=https://www.ebi.ac.uk/chembl/assay_report_card/CHEMBL2162575/  target=_blank>CHEMBL2162575</a>";;;;;;;;;-5.64;;;;;;;;;;;;"Chavarría C, Perez DI, Pérez C, Morales Garcia JA, Alonso-Gil S, Pérez-Castillo A, Gil C, Souza JM, Porcal W.: Microwave-assisted synthesis of hydroxyphenyl nitrones with protective action against oxidative stress. Eur J Med Chem, Volume 58, 2012";ChEMBL
Hydrocortisone;MM00044;CC12CCC(=O)C=C1CCC1C2C(O)CC2(C)C1CCC2(O)C(=O)CO;JYGXADMDTFJGBT-UHFFFAOYSA-N;362.47;1.78;5754;DB00741;HCY;CHEMBL389621;BBB;EPAM;25;0;"<a href=https://www.ebi.ac.uk/chembl/assay_report_card/CHEMBL3364959/  target=_blank>CHEMBL3364959</a>";;;;;;;;;-5.85;;;;;;;;;;;;"Di Pietro O, Pérez-Areales FJ, Juárez-Jiménez J, Espargaró A, Clos MV, Pérez B, Lavilla R, Sabaté R, Luque FJ, Muñoz-Torrero D.: Tetrahydrobenzo[h][1,6]naphthyridine-6-chlorotacrine hybrids as a new family of anti-Alzheimer agents targeting β-amyloid, tau, and cholinesterase pathologies. Eur J Med Chem, Volume 84, 2014";ChEMBL
Hydrocortisone;MM00044;CC12CCC(=O)C=C1CCC1C2C(O)CC2(C)C1CCC2(O)C(=O)CO;JYGXADMDTFJGBT-UHFFFAOYSA-N;362.47;1.78;5754;DB00741;HCY;CHEMBL389621;BBB;EPAM;25;0;"<a href=https://www.ebi.ac.uk/chembl/assay_report_card/CHEMBL3412995/  target=_blank>CHEMBL3412995</a>";;;;;;;;;-5.92;;;;;;;;;;;;"Xie SS, Lan JS, Wang XB, Jiang N, Dong G, Li ZR, Wang KD, Guo PP, Kong LY.: Multifunctional tacrine-trolox hybrids for the treatment of Alzheimer's disease with cholinergic, antioxidant, neuroprotective and hepatoprotective properties. Eur J Med Chem, Volume 93, 2015";ChEMBL
Hydrocortisone;MM00044;CC12CCC(=O)C=C1CCC1C2C(O)CC2(C)C1CCC2(O)C(=O)CO;JYGXADMDTFJGBT-UHFFFAOYSA-N;362.47;1.78;5754;DB00741;HCY;CHEMBL389621;BBB;EPAM;25;0;"<a href=https://www.ebi.ac.uk/chembl/assay_report_card/CHEMBL3418564/  target=_blank>CHEMBL3418564</a>";;;;;;;;;-5.72;;;;;;;;;;;;"Xie SS, Wang X, Jiang N, Yu W, Wang KD, Lan JS, Li ZR, Kong LY.: Multi-target tacrine-coumarin hybrids: cholinesterase and monoamine oxidase B inhibition properties against Alzheimer's disease. Eur J Med Chem, Volume 95, 2015";ChEMBL
Hydrocortisone;MM00044;CC12CCC(=O)C=C1CCC1C2C(O)CC2(C)C1CCC2(O)C(=O)CO;JYGXADMDTFJGBT-UHFFFAOYSA-N;362.47;1.78;5754;DB00741;HCY;CHEMBL389621;BBB;EPAM;25;0;"<a href=https://www.ebi.ac.uk/chembl/assay_report_card/CHEMBL3743403/  target=_blank>CHEMBL3743403</a>";;;;;;;;;-5.72;;;;;;;;;;;;"Di Pietro O, Vicente-García E, Taylor MC, Berenguer D, Viayna E, Lanzoni A, Sola I, Sayago H, Riera C, Fisa R, Clos MV, Pérez B, Kelly JM, Lavilla R, Muñoz-Torrero D.: Multicomponent reaction-based synthesis and biological evaluation of tricyclic heterofused quinolines with multi-trypanosomatid activity. Eur J Med Chem, Volume 105, 2015";ChEMBL
Hydrocortisone;MM00044;CC12CCC(=O)C=C1CCC1C2C(O)CC2(C)C1CCC2(O)C(=O)CO;JYGXADMDTFJGBT-UHFFFAOYSA-N;362.47;1.78;5754;DB00741;HCY;CHEMBL389621;BBB;EPAM;25;0;"<a href=https://www.ebi.ac.uk/chembl/assay_report_card/CHEMBL3870528/  target=_blank>CHEMBL3870528</a>";;;;;;;;;-5.82;;;;;;;;;;;;"Wang ZM, Cai P, Liu QH, Xu DQ, Yang XL, Wu JJ, Kong LY, Wang XB.: Rational modification of donepezil as multifunctional acetylcholinesterase inhibitors for the treatment of Alzheimer's disease. Eur J Med Chem, Volume 123, 2016";ChEMBL
Hydrocortisone;MM00044;CC12CCC(=O)C=C1CCC1C2C(O)CC2(C)C1CCC2(O)C(=O)CO;JYGXADMDTFJGBT-UHFFFAOYSA-N;362.47;1.78;5754;DB00741;HCY;CHEMBL389621;BBB;EPAM;25;0;"<a href=https://www.ebi.ac.uk/chembl/assay_report_card/CHEMBL3870551/  target=_blank>CHEMBL3870551</a>";;;;;;;;;-5.72;;;;;;;;;;;;"Wang ZM, Cai P, Liu QH, Xu DQ, Yang XL, Wu JJ, Kong LY, Wang XB.: Rational modification of donepezil as multifunctional acetylcholinesterase inhibitors for the treatment of Alzheimer's disease. Eur J Med Chem, Volume 123, 2016";ChEMBL
Hydrocortisone;MM00044;CC12CCC(=O)C=C1CCC1C2C(O)CC2(C)C1CCC2(O)C(=O)CO;JYGXADMDTFJGBT-UHFFFAOYSA-N;362.47;1.78;5754;DB00741;HCY;CHEMBL389621;BBB;EPAM;25;0;"<a href=https://www.ebi.ac.uk/chembl/assay_report_card/CHEMBL3878269/  target=_blank>CHEMBL3878269</a>";;;;;;;;;-5.55;;;;;;;;;;;;"Panek D, Więckowska A, Wichur T, Bajda M, Godyń J, Jończyk J, Mika K, Janockova J, Soukup O, Knez D, Korabecny J, Gobec S, Malawska B.: Design, synthesis and biological evaluation of new phthalimide and saccharin derivatives with alicyclic amines targeting cholinesterases, beta-secretase and amyloid beta aggregation. Eur J Med Chem, Volume 125, 2017";ChEMBL
Hydrocortisone;MM00044;CC12CCC(=O)C=C1CCC1C2C(O)CC2(C)C1CCC2(O)C(=O)CO;JYGXADMDTFJGBT-UHFFFAOYSA-N;362.47;1.78;5754;DB00741;HCY;CHEMBL389621;BBB;EPAM;25;0;"<a href=https://www.ebi.ac.uk/chembl/assay_report_card/CHEMBL4119593/  target=_blank>CHEMBL4119593</a>";;;;;;;;;-5.55;;;;;;;;;;;;"Yan G, Hao L, Niu Y, Huang W, Wang W, Xu F, Liang L, Wang C, Jin H, Xu P.: 2-Substituted-thio-N-(4-substituted-thiazol/1H-imidazol-2-yl)acetamides as BACE1 inhibitors: Synthesis, biological evaluation and docking studies. Eur J Med Chem, Volume 137, 2017";ChEMBL
Hydrocortisone;MM00044;CC12CCC(=O)C=C1CCC1C2C(O)CC2(C)C1CCC2(O)C(=O)CO;JYGXADMDTFJGBT-UHFFFAOYSA-N;362.47;1.78;5754;DB00741;HCY;CHEMBL389621;BBB;EPAM;25;0;"<a href=https://www.ebi.ac.uk/chembl/assay_report_card/CHEMBL4192184/  target=_blank>CHEMBL4192184</a>";;;;;;;;;-5.72;;;;;;;;;;;;"Salado IG, Zaldivar-Diez J, Sebastián-Pérez V, Li L, Geiger L, González S, Campillo NE, Gil C, Morales AV, Perez DI, Martinez A.: Leucine rich repeat kinase 2 (LRRK2) inhibitors based on indolinone scaffold: Potential pro-neurogenic agents. Eur J Med Chem, Volume 138, 2017";ChEMBL
Hydrocortisone;MM00044;CC12CCC(=O)C=C1CCC1C2C(O)CC2(C)C1CCC2(O)C(=O)CO;JYGXADMDTFJGBT-UHFFFAOYSA-N;362.47;1.78;5754;DB00741;HCY;CHEMBL389621;BBB;EPAM;25;0;"<a href=https://www.ebi.ac.uk/chembl/assay_report_card/CHEMBL4192765/  target=_blank>CHEMBL4192765</a>";;;;;;;;;-5.75;;;;;;;;;;;;"Yang HL, Cai P, Liu QH, Yang XL, Li F, Wang J, Wu JJ, Wang XB, Kong LY.: Design, synthesis and evaluation of coumarin-pargyline hybrids as novel dual inhibitors of monoamine oxidases and amyloid-β aggregation for the treatment of Alzheimer's disease. Eur J Med Chem, Volume 138, 2017";ChEMBL
Hydrocortisone;MM00044;CC12CCC(=O)C=C1CCC1C2C(O)CC2(C)C1CCC2(O)C(=O)CO;JYGXADMDTFJGBT-UHFFFAOYSA-N;362.47;1.78;5754;DB00741;HCY;CHEMBL389621;BBB;EPAM;25;0;"<a href=https://www.ebi.ac.uk/chembl/assay_report_card/CHEMBL4192766/  target=_blank>CHEMBL4192766</a>";;;;;;;;;-5.72;;;;;;;;;;;;"Yang HL, Cai P, Liu QH, Yang XL, Li F, Wang J, Wu JJ, Wang XB, Kong LY.: Design, synthesis and evaluation of coumarin-pargyline hybrids as novel dual inhibitors of monoamine oxidases and amyloid-β aggregation for the treatment of Alzheimer's disease. Eur J Med Chem, Volume 138, 2017";ChEMBL
Hydrocortisone;MM00044;CC12CCC(=O)C=C1CCC1C2C(O)CC2(C)C1CCC2(O)C(=O)CO;JYGXADMDTFJGBT-UHFFFAOYSA-N;362.47;1.78;5754;DB00741;HCY;CHEMBL389621;BBB;EPAM;25;0;"<a href=https://www.ebi.ac.uk/chembl/assay_report_card/CHEMBL4132647/  target=_blank>CHEMBL4132647</a>";;;;;;;;;-5.54;;;;;;;;;;;;"De Simone A, Bartolini M, Baschieri A, Apperley KYP, Chen HH, Guardigni M, Montanari S, Kobrlova T, Soukup O, Valgimigli L, Andrisano V, Keillor JW, Basso M, Milelli A.: Hydroxy-substituted trans-cinnamoyl derivatives as multifunctional tools in the context of Alzheimer's disease. Eur J Med Chem, Volume 139, 2017";ChEMBL
Hydrocortisone;MM00044;CC12CCC(=O)C=C1CCC1C2C(O)CC2(C)C1CCC2(O)C(=O)CO;JYGXADMDTFJGBT-UHFFFAOYSA-N;362.47;1.78;5754;DB00741;HCY;CHEMBL389621;BBB;EPAM;25;0;"<a href=https://www.ebi.ac.uk/chembl/assay_report_card/CHEMBL4198703/  target=_blank>CHEMBL4198703</a>";;;;;;;;;-5.7;;;;;;;;;;;;"Hepnarova V, Korabecny J, Matouskova L, Jost P, Muckova L, Hrabinova M, Vykoukalova N, Kerhartova M, Kucera T, Dolezal R, Nepovimova E, Spilovska K, Mezeiova E, Pham NL, Jun D, Staud F, Kaping D, Kuca K, Soukup O.: The concept of hybrid molecules of tacrine and benzyl quinolone carboxylic acid (BQCA) as multifunctional agents for Alzheimer's disease. Eur J Med Chem, Volume 150, 2018";ChEMBL
Hydrocortisone;MM00044;CC12CCC(=O)C=C1CCC1C2C(O)CC2(C)C1CCC2(O)C(=O)CO;JYGXADMDTFJGBT-UHFFFAOYSA-N;362.47;1.78;5754;DB00741;HCY;CHEMBL389621;BBB;EPAM;25;0;"<a href=https://www.ebi.ac.uk/chembl/assay_report_card/CHEMBL4198704/  target=_blank>CHEMBL4198704</a>";;;;;;;;;-5.59;;;;;;;;;;;;"Hepnarova V, Korabecny J, Matouskova L, Jost P, Muckova L, Hrabinova M, Vykoukalova N, Kerhartova M, Kucera T, Dolezal R, Nepovimova E, Spilovska K, Mezeiova E, Pham NL, Jun D, Staud F, Kaping D, Kuca K, Soukup O.: The concept of hybrid molecules of tacrine and benzyl quinolone carboxylic acid (BQCA) as multifunctional agents for Alzheimer's disease. Eur J Med Chem, Volume 150, 2018";ChEMBL
Hydrocortisone;MM00044;CC12CCC(=O)C=C1CCC1C2C(O)CC2(C)C1CCC2(O)C(=O)CO;JYGXADMDTFJGBT-UHFFFAOYSA-N;362.47;1.78;5754;DB00741;HCY;CHEMBL389621;BBB;EPAM;25;0;"<a href=https://www.ebi.ac.uk/chembl/assay_report_card/CHEMBL3239333/  target=_blank>CHEMBL3239333</a>";;;;;;;;;-5.96;;;;;;;;;;;;"Salado IG, Redondo M, Bello ML, Perez C, Liachko NF, Kraemer BC, Miguel L, Lecourtois M, Gil C, Martinez A, Perez DI.: Protein kinase CK-1 inhibitors as new potential drugs for amyotrophic lateral sclerosis. J Med Chem, Volume 57 (6), 2014";ChEMBL
Hydrocortisone;MM00044;CC12CCC(=O)C=C1CCC1C2C(O)CC2(C)C1CCC2(O)C(=O)CO;JYGXADMDTFJGBT-UHFFFAOYSA-N;362.47;1.78;5754;DB00741;HCY;CHEMBL389621;BBB;EPAM;25;0;"<a href=https://www.ebi.ac.uk/chembl/assay_report_card/CHEMBL3266342/  target=_blank>CHEMBL3266342</a>";;;;;;;;;-5.74;;;;;;;;;;;;"Ning X, Guo Y, Wang X, Ma X, Tian C, Shi X, Zhu R, Cheng C, Du Y, Ma Z, Zhang Z, Liu J.: Design, synthesis, and biological evaluation of (e)-3,4-dihydroxystyryl aralkyl sulfones and sulfoxides as novel multifunctional neuroprotective agents. J Med Chem, Volume 57 (10), 2014";ChEMBL
Hydrocortisone;MM00044;CC12CCC(=O)C=C1CCC1C2C(O)CC2(C)C1CCC2(O)C(=O)CO;JYGXADMDTFJGBT-UHFFFAOYSA-N;362.47;1.78;5754;DB00741;HCY;CHEMBL389621;BBB;EPAM;25;0;"<a href=https://www.ebi.ac.uk/chembl/assay_report_card/CHEMBL1105051/  target=_blank>CHEMBL1105051</a>";;;;;;;;;-5.3;;;;;;;;;;;;"Arce MP, Rodríguez-Franco MI, González-Muñoz GC, Pérez C, López B, Villarroya M, López MG, García AG, Conde S.: Neuroprotective and cholinergic properties of multifunctional glutamic acid derivatives for the treatment of Alzheimer's disease. J Med Chem, Volume 52 (22), 2009";ChEMBL
Hydrocortisone;MM00044;CC12CCC(=O)C=C1CCC1C2C(O)CC2(C)C1CCC2(O)C(=O)CO;JYGXADMDTFJGBT-UHFFFAOYSA-N;362.47;1.78;5754;DB00741;HCY;CHEMBL389621;BBB;EPAM;25;0;"<a href=https://www.ebi.ac.uk/chembl/assay_report_card/CHEMBL4259691/  target=_blank>CHEMBL4259691</a>";;;;;;;;;-5.74;;;;;;;;;;;;"Nath C, Badavath VN, Thakur A, Ucar G, Acevedo O, Mohd Siddique MU, Jayaprakash V.: Curcumin-based pyrazoline analogues as selective inhibitors of human monoamine oxidase A. Medchemcomm, Volume 9 (7), 2018";ChEMBL
Hydrocortisone;MM00044;CC12CCC(=O)C=C1CCC1C2C(O)CC2(C)C1CCC2(O)C(=O)CO;JYGXADMDTFJGBT-UHFFFAOYSA-N;362.47;1.78;5754;DB00741;HCY;CHEMBL389621;BBB;EPAM;25;0;"<a href=https://www.ebi.ac.uk/chembl/assay_report_card/CHEMBL4259692/  target=_blank>CHEMBL4259692</a>";;;;;;;;;-5.74;;;;;;;;;;;;"Nath C, Badavath VN, Thakur A, Ucar G, Acevedo O, Mohd Siddique MU, Jayaprakash V.: Curcumin-based pyrazoline analogues as selective inhibitors of human monoamine oxidase A. Medchemcomm, Volume 9 (7), 2018";ChEMBL
MM474570;MM474570;CCOc1ccc(CC2CC(C(=O)NO)C2)cc1-c1nc2c(CC)nn(C)c2c(=O)[nH]1;WFSWUBOROARLDR-UHFFFAOYSA-N;425.49;2.36;137290273;;;CHEMBL3900593;BBB;EPAM;25;0;"<a href=https://www.ebi.ac.uk/chembl/assay_report_card/CHEMBL3861001/  target=_blank>CHEMBL3861001</a>";;;;;;;;;-5.8;;;;;;;;;;;;"Rabal O, Sánchez-Arias JA, Cuadrado-Tejedor M, de Miguel I, Pérez-González M, García-Barroso C, Ugarte A, Estella-Hermoso de Mendoza A, Sáez E, Espelosin M, Ursua S, Haizhong T, Wei W, Musheng X, Garcia-Osta A, Oyarzabal J.: Design, Synthesis, and Biological Evaluation of First-in-Class Dual Acting Histone Deacetylases (HDACs) and Phosphodiesterase 5 (PDE5) Inhibitors for the Treatment of Alzheimer's Disease. J Med Chem, Volume 59 (19), 2016";ChEMBL
MM473326;MM473326;CC1=CC2Cc3nc4cc(Cl)ccc4c(NCCCCCCCCCN)c3C(C1)C2;SOXBPZOGANISRK-VQTJNVASSA-N;426.05;6.99;117992856;;;CHEMBL3901071;BBB;EPAM;25;0;"<a href=https://www.ebi.ac.uk/chembl/assay_report_card/CHEMBL3859148/  target=_blank>CHEMBL3859148</a>";;;;;;;;;-5.15;;;;;;;;;;;;"Sola I, Artigas A, Taylor MC, Pérez-Areales FJ, Viayna E, Clos MV, Pérez B, Wright CW, Kelly JM, Muñoz-Torrero D.: Synthesis and biological evaluation of N-cyanoalkyl-, N-aminoalkyl-, and N-guanidinoalkyl-substituted 4-aminoquinoline derivatives as potent, selective, brain permeable antitrypanosomal agents. Bioorg Med Chem, Volume 24 (21), 2016";ChEMBL
MM474571;MM474571;CCOc1ccc(C2CC(C(=O)NO)C2)cc1-c1nc2c(CC)nn(C)c2c(=O)[nH]1;XHOQZHUIEYFPGU-UHFFFAOYSA-N;411.46;2.28;137289788;;;CHEMBL3901988;BBB;EPAM;25;0;"<a href=https://www.ebi.ac.uk/chembl/assay_report_card/CHEMBL3861001/  target=_blank>CHEMBL3861001</a>";;;;;;;;;-5.86;;;;;;;;;;;;"Rabal O, Sánchez-Arias JA, Cuadrado-Tejedor M, de Miguel I, Pérez-González M, García-Barroso C, Ugarte A, Estella-Hermoso de Mendoza A, Sáez E, Espelosin M, Ursua S, Haizhong T, Wei W, Musheng X, Garcia-Osta A, Oyarzabal J.: Design, Synthesis, and Biological Evaluation of First-in-Class Dual Acting Histone Deacetylases (HDACs) and Phosphodiesterase 5 (PDE5) Inhibitors for the Treatment of Alzheimer's Disease. J Med Chem, Volume 59 (19), 2016";ChEMBL
MM473314;MM473314;CCNC(=S)Nc1cc(-n2cnc(CN(C)Cc3ccccc3)c2)ncn1;PBQSTOKEPYJKSJ-UHFFFAOYSA-N;381.51;2.6;132520943;;;CHEMBL3902947;BBB;EPAM;25;0;"<a href=https://www.ebi.ac.uk/chembl/assay_report_card/CHEMBL3858482/  target=_blank>CHEMBL3858482</a>";;;;;;;;;-5.06;;;;;;;;;;;;"Li X, Wang H, Lu Z, Zheng X, Ni W, Zhu J, Fu Y, Lian F, Zhang N, Li J, Zhang H, Mao F.: Development of Multifunctional Pyrimidinylthiourea Derivatives as Potential Anti-Alzheimer Agents. J Med Chem, Volume 59 (18), 2016";ChEMBL
MM473328;MM473328;CC1=CC2Cc3nc4cc(Cl)ccc4c(NCCCCCCCCCCCN)c3C(C1)C2;XPLFBCRUPSAFDM-FCHUYYIVSA-N;454.1;7.77;134135640;;;CHEMBL3905154;BBB;EPAM;25;0;"<a href=https://www.ebi.ac.uk/chembl/assay_report_card/CHEMBL3859148/  target=_blank>CHEMBL3859148</a>";;;;;;;;;-5.4;;;;;;;;;;;;"Sola I, Artigas A, Taylor MC, Pérez-Areales FJ, Viayna E, Clos MV, Pérez B, Wright CW, Kelly JM, Muñoz-Torrero D.: Synthesis and biological evaluation of N-cyanoalkyl-, N-aminoalkyl-, and N-guanidinoalkyl-substituted 4-aminoquinoline derivatives as potent, selective, brain permeable antitrypanosomal agents. Bioorg Med Chem, Volume 24 (21), 2016";ChEMBL
MM474562;MM474562;CCCc1nn(C)c2c(=O)[nH]c(-c3cc(NC4CCN(c5ncc(C(=O)NO)cn5)CC4)ccc3OCC)nc12;HHVZIHMMVKGUNH-UHFFFAOYSA-N;547.62;2.66;136959550;;;CHEMBL3907730;BBB;EPAM;25;0;"<a href=https://www.ebi.ac.uk/chembl/assay_report_card/CHEMBL3861001/  target=_blank>CHEMBL3861001</a>";;;;;;;;;-5.87;;;;;;;;;;;;"Rabal O, Sánchez-Arias JA, Cuadrado-Tejedor M, de Miguel I, Pérez-González M, García-Barroso C, Ugarte A, Estella-Hermoso de Mendoza A, Sáez E, Espelosin M, Ursua S, Haizhong T, Wei W, Musheng X, Garcia-Osta A, Oyarzabal J.: Design, Synthesis, and Biological Evaluation of First-in-Class Dual Acting Histone Deacetylases (HDACs) and Phosphodiesterase 5 (PDE5) Inhibitors for the Treatment of Alzheimer's Disease. J Med Chem, Volume 59 (19), 2016";ChEMBL
MM473356;MM473356;O=C1c2ccccc2S(=O)(=O)N1CCCCN1CCN(Cc2ccccc2)CC1;GVBDSPHWJXJGMQ-UHFFFAOYSA-N;413.54;2.43;;;;;BBB;EPAM;25;0;"<a href=https://www.ebi.ac.uk/chembl/assay_report_card/CHEMBL3878269/  target=_blank>CHEMBL3878269</a>";;;;;;;;;-4.97;;;;;;;;;;;;"Panek D, Więckowska A, Wichur T, Bajda M, Godyń J, Jończyk J, Mika K, Janockova J, Soukup O, Knez D, Korabecny J, Gobec S, Malawska B.: Design, synthesis and biological evaluation of new phthalimide and saccharin derivatives with alicyclic amines targeting cholinesterases, beta-secretase and amyloid beta aggregation. Eur J Med Chem, Volume 125, 2017";ChEMBL
MM473317;MM473317;CCNC(=S)Nc1cc(-n2cnc(CN3CCCCCC3)c2)ncn1;DKSKAYOHKYFDKB-UHFFFAOYSA-N;359.5;2.34;132520946;;;CHEMBL3907861;BBB;EPAM;25;0;"<a href=https://www.ebi.ac.uk/chembl/assay_report_card/CHEMBL3858482/  target=_blank>CHEMBL3858482</a>";;;;;;;;;-5.28;;;;;;;;;;;;"Li X, Wang H, Lu Z, Zheng X, Ni W, Zhu J, Fu Y, Lian F, Zhang N, Li J, Zhang H, Mao F.: Development of Multifunctional Pyrimidinylthiourea Derivatives as Potential Anti-Alzheimer Agents. J Med Chem, Volume 59 (18), 2016";ChEMBL
MM473332;MM473332;CC1=CC2Cc3nc4cc(Cl)ccc4c(NCCCN4CCCCC4)c3C(C1)C2;HDVIECZKQIHGOZ-RBUKOAKNSA-N;410.01;6.17;134132763;;;CHEMBL3908171;BBB;EPAM;25;0;"<a href=https://www.ebi.ac.uk/chembl/assay_report_card/CHEMBL3859148/  target=_blank>CHEMBL3859148</a>";;;;;;;;;-5.23;;;;;;;;;;;;"Sola I, Artigas A, Taylor MC, Pérez-Areales FJ, Viayna E, Clos MV, Pérez B, Wright CW, Kelly JM, Muñoz-Torrero D.: Synthesis and biological evaluation of N-cyanoalkyl-, N-aminoalkyl-, and N-guanidinoalkyl-substituted 4-aminoquinoline derivatives as potent, selective, brain permeable antitrypanosomal agents. Bioorg Med Chem, Volume 24 (21), 2016";ChEMBL
MM473331;MM473331;CC1=CC2Cc3nc4cc(Cl)ccc4c(NCCCCCCCCCN=C(N)N)c3C(C1)C2;VJVLYWNUWBASDB-VQTJNVASSA-N;468.09;6.51;134131877;;;CHEMBL3910120;BBB;EPAM;25;0;"<a href=https://www.ebi.ac.uk/chembl/assay_report_card/CHEMBL3859148/  target=_blank>CHEMBL3859148</a>";;;;;;;;;-5.27;;;;;;;;;;;;"Sola I, Artigas A, Taylor MC, Pérez-Areales FJ, Viayna E, Clos MV, Pérez B, Wright CW, Kelly JM, Muñoz-Torrero D.: Synthesis and biological evaluation of N-cyanoalkyl-, N-aminoalkyl-, and N-guanidinoalkyl-substituted 4-aminoquinoline derivatives as potent, selective, brain permeable antitrypanosomal agents. Bioorg Med Chem, Volume 24 (21), 2016";ChEMBL
MM473321;MM473321;CC1=CC2Cc3nc4cc(Cl)ccc4c(NCCCCCCCCCC#N)c3C(C1)C2;KSRXVOOCGNCYOD-LEWJYISDSA-N;436.04;7.94;134132460;;;CHEMBL3910753;BBB;EPAM;25;0;"<a href=https://www.ebi.ac.uk/chembl/assay_report_card/CHEMBL3859148/  target=_blank>CHEMBL3859148</a>";;;;;;;;;-4.95;;;;;;;;;;;;"Sola I, Artigas A, Taylor MC, Pérez-Areales FJ, Viayna E, Clos MV, Pérez B, Wright CW, Kelly JM, Muñoz-Torrero D.: Synthesis and biological evaluation of N-cyanoalkyl-, N-aminoalkyl-, and N-guanidinoalkyl-substituted 4-aminoquinoline derivatives as potent, selective, brain permeable antitrypanosomal agents. Bioorg Med Chem, Volume 24 (21), 2016";ChEMBL
MM473349;MM473349;COc1cc2c(cc1OC)C(=O)C(=Cc1ccc(CN3CCCC3)c(O)c1)CO2;ZOLAVCFKEZZDKT-RQZCQDPDSA-N;395.46;3.66;134142584;;;CHEMBL3915922;BBB;EPAM;25;0;"<a href=https://www.ebi.ac.uk/chembl/assay_report_card/CHEMBL3874684/  target=_blank>CHEMBL3874684</a>";;;;;;;;;-4.95;;;;;;;;;;;;"Li Y, Qiang X, Luo L, Yang X, Xiao G, Zheng Y, Cao Z, Sang Z, Su F, Deng Y.: Multitarget drug design strategy against Alzheimer's disease: Homoisoflavonoid Mannich base derivatives serve as acetylcholinesterase and monoamine oxidase B dual inhibitors with multifunctional properties. Bioorg Med Chem, Volume 25 (2), 2017";ChEMBL
MM473312;MM473312;CCNC(=S)Nc1cc(-n2cnc(CN(CC)CC)c2)ncn1;FUJGSQXLYLSUCE-UHFFFAOYSA-N;333.47;1.81;132520939;;;CHEMBL3918667;BBB;EPAM;25;0;"<a href=https://www.ebi.ac.uk/chembl/assay_report_card/CHEMBL3858482/  target=_blank>CHEMBL3858482</a>";;;;;;;;;-6;;;;;;;;;;;;"Li X, Wang H, Lu Z, Zheng X, Ni W, Zhu J, Fu Y, Lian F, Zhang N, Li J, Zhang H, Mao F.: Development of Multifunctional Pyrimidinylthiourea Derivatives as Potential Anti-Alzheimer Agents. J Med Chem, Volume 59 (18), 2016";ChEMBL
MM473346;MM473346;COc1cc2c(cc1OC)C(=O)C(CC1CCN(Cc3cccc(C)n3)CC1)C2;ZBPKNQIMVQSMLB-UHFFFAOYSA-N;394.52;4.06;;;;;BBB;EPAM;25;0;"<a href=https://www.ebi.ac.uk/chembl/assay_report_card/CHEMBL3870528/  target=_blank>CHEMBL3870528</a>";;;;;;;;;-5.01;;;;;;;;;;;;"Wang ZM, Cai P, Liu QH, Xu DQ, Yang XL, Wu JJ, Kong LY, Wang XB.: Rational modification of donepezil as multifunctional acetylcholinesterase inhibitors for the treatment of Alzheimer's disease. Eur J Med Chem, Volume 123, 2016";ChEMBL
MM473318;MM473318;CCNC(=S)Nc1cc(-n2cnc(CN3CCOCC3)c2)ncn1;CJWUACYBVOGQPM-UHFFFAOYSA-N;347.45;0.8;132520947;;;CHEMBL3922318;BBB;EPAM;25;0;"<a href=https://www.ebi.ac.uk/chembl/assay_report_card/CHEMBL3858482/  target=_blank>CHEMBL3858482</a>";;;;;;;;;-6.46;;;;;;;;;;;;"Li X, Wang H, Lu Z, Zheng X, Ni W, Zhu J, Fu Y, Lian F, Zhang N, Li J, Zhang H, Mao F.: Development of Multifunctional Pyrimidinylthiourea Derivatives as Potential Anti-Alzheimer Agents. J Med Chem, Volume 59 (18), 2016";ChEMBL
MM474566;MM474566;CCOc1ccc(CN2CCN(c3ncc(C(=O)NO)cn3)CC2)cc1-c1nc2c(CC)nn(C)c2c(=O)[nH]1;AUCLUKFMBLSKNX-UHFFFAOYSA-N;533.59;1.52;137292402;;;CHEMBL3923840;BBB;EPAM;25;0;"<a href=https://www.ebi.ac.uk/chembl/assay_report_card/CHEMBL3861001/  target=_blank>CHEMBL3861001</a>";;;;;;;;;-6.05;;;;;;;;;;;;"Rabal O, Sánchez-Arias JA, Cuadrado-Tejedor M, de Miguel I, Pérez-González M, García-Barroso C, Ugarte A, Estella-Hermoso de Mendoza A, Sáez E, Espelosin M, Ursua S, Haizhong T, Wei W, Musheng X, Garcia-Osta A, Oyarzabal J.: Design, Synthesis, and Biological Evaluation of First-in-Class Dual Acting Histone Deacetylases (HDACs) and Phosphodiesterase 5 (PDE5) Inhibitors for the Treatment of Alzheimer's Disease. J Med Chem, Volume 59 (19), 2016";ChEMBL
MM474561;MM474561;CCCc1nn(C)c2c(=O)[nH]c(-c3cc(S(=O)(=O)Nc4ccc(C=CC(=O)NO)cc4)ccc3OCC)nc12;NHHCQXZWEHHKKQ-NTEUORMPSA-N;552.61;2.99;136645457;;;CHEMBL3925737;BBB;EPAM;25;0;"<a href=https://www.ebi.ac.uk/chembl/assay_report_card/CHEMBL3861001/  target=_blank>CHEMBL3861001</a>";;;;;;;;;-6.64;;;;;;;;;;;;"Rabal O, Sánchez-Arias JA, Cuadrado-Tejedor M, de Miguel I, Pérez-González M, García-Barroso C, Ugarte A, Estella-Hermoso de Mendoza A, Sáez E, Espelosin M, Ursua S, Haizhong T, Wei W, Musheng X, Garcia-Osta A, Oyarzabal J.: Design, Synthesis, and Biological Evaluation of First-in-Class Dual Acting Histone Deacetylases (HDACs) and Phosphodiesterase 5 (PDE5) Inhibitors for the Treatment of Alzheimer's Disease. J Med Chem, Volume 59 (19), 2016";ChEMBL
MM473357;MM473357;O=C1c2ccccc2S(=O)(=O)N1CCCCN1CCN(Cc2ccccc2F)CC1;YEEFBUYVZCMDBH-UHFFFAOYSA-N;431.53;2.57;;;;;BBB;EPAM;25;0;"<a href=https://www.ebi.ac.uk/chembl/assay_report_card/CHEMBL3878269/  target=_blank>CHEMBL3878269</a>";;;;;;;;;-4.96;;;;;;;;;;;;"Panek D, Więckowska A, Wichur T, Bajda M, Godyń J, Jończyk J, Mika K, Janockova J, Soukup O, Knez D, Korabecny J, Gobec S, Malawska B.: Design, synthesis and biological evaluation of new phthalimide and saccharin derivatives with alicyclic amines targeting cholinesterases, beta-secretase and amyloid beta aggregation. Eur J Med Chem, Volume 125, 2017";ChEMBL
MM473355;MM473355;O=C1c2ccccc2S(=O)(=O)N1CCN1CCN(Cc2ccc(F)cc2)CC1;HHGFXSRURRKPJG-UHFFFAOYSA-N;403.48;1.79;;;;;BBB;EPAM;25;0;"<a href=https://www.ebi.ac.uk/chembl/assay_report_card/CHEMBL3878269/  target=_blank>CHEMBL3878269</a>";;;;;;;;;-5.44;;;;;;;;;;;;"Panek D, Więckowska A, Wichur T, Bajda M, Godyń J, Jończyk J, Mika K, Janockova J, Soukup O, Knez D, Korabecny J, Gobec S, Malawska B.: Design, synthesis and biological evaluation of new phthalimide and saccharin derivatives with alicyclic amines targeting cholinesterases, beta-secretase and amyloid beta aggregation. Eur J Med Chem, Volume 125, 2017";ChEMBL
MM473354;MM473354;O=C1c2ccccc2S(=O)(=O)N1CCN1CCN(Cc2ccccc2)CC1;WEQPEFFNYGRQOJ-UHFFFAOYSA-N;385.49;1.65;;;;;BBB;EPAM;25;0;"<a href=https://www.ebi.ac.uk/chembl/assay_report_card/CHEMBL3878269/  target=_blank>CHEMBL3878269</a>";;;;;;;;;-5.43;;;;;;;;;;;;"Panek D, Więckowska A, Wichur T, Bajda M, Godyń J, Jończyk J, Mika K, Janockova J, Soukup O, Knez D, Korabecny J, Gobec S, Malawska B.: Design, synthesis and biological evaluation of new phthalimide and saccharin derivatives with alicyclic amines targeting cholinesterases, beta-secretase and amyloid beta aggregation. Eur J Med Chem, Volume 125, 2017";ChEMBL
MM473344;MM473344;COc1cc2c(cc1OC)C(=O)C(CC1CCN(Cc3cccc(F)c3)CC1)C2;WIBAQCAJLVMGFE-UHFFFAOYSA-N;397.49;4.5;;;;;BBB;EPAM;25;0;"<a href=https://www.ebi.ac.uk/chembl/assay_report_card/CHEMBL3870528/  target=_blank>CHEMBL3870528</a>";;;;;;;;;-4.94;;;;;;;;;;;;"Wang ZM, Cai P, Liu QH, Xu DQ, Yang XL, Wu JJ, Kong LY, Wang XB.: Rational modification of donepezil as multifunctional acetylcholinesterase inhibitors for the treatment of Alzheimer's disease. Eur J Med Chem, Volume 123, 2016";ChEMBL
MM473352;MM473352;CCN(Cc1ccc(C=C2COc3cc(OC)c(OC)cc3C2=O)cc1O)Cc1ccccc1N(C)C;SJPFCSRKSHMYMB-YDZHTSKRSA-N;502.61;5.16;134142101;;;CHEMBL3928434;BBB;EPAM;25;0;"<a href=https://www.ebi.ac.uk/chembl/assay_report_card/CHEMBL3874684/  target=_blank>CHEMBL3874684</a>";;;;;;;;;-4.98;;;;;;;;;;;;"Li Y, Qiang X, Luo L, Yang X, Xiao G, Zheng Y, Cao Z, Sang Z, Su F, Deng Y.: Multitarget drug design strategy against Alzheimer's disease: Homoisoflavonoid Mannich base derivatives serve as acetylcholinesterase and monoamine oxidase B dual inhibitors with multifunctional properties. Bioorg Med Chem, Volume 25 (2), 2017";ChEMBL
MM473347;MM473347;COc1cc2c(cc1OC)C(=O)C(CC1CCN(Cc3ccc4cccc(O)c4n3)CC1)C2;DIRWKSCWOCKTCI-UHFFFAOYSA-N;446.55;4.61;;;;;BBB;EPAM;25;0;"<a href=https://www.ebi.ac.uk/chembl/assay_report_card/CHEMBL3870528/  target=_blank>CHEMBL3870528</a>";;;;;;;;;-5.21;;;;;;;;;;;;"Wang ZM, Cai P, Liu QH, Xu DQ, Yang XL, Wu JJ, Kong LY, Wang XB.: Rational modification of donepezil as multifunctional acetylcholinesterase inhibitors for the treatment of Alzheimer's disease. Eur J Med Chem, Volume 123, 2016";ChEMBL
MM473316;MM473316;CCNC(=S)Nc1cc(-n2cnc(CN3CCCCC3)c2)ncn1;GZZAZSXRJGDOHK-UHFFFAOYSA-N;345.48;1.95;132520945;;;CHEMBL3934946;BBB;EPAM;25;0;"<a href=https://www.ebi.ac.uk/chembl/assay_report_card/CHEMBL3858482/  target=_blank>CHEMBL3858482</a>";;;;;;;;;-5.3;;;;;;;;;;;;"Li X, Wang H, Lu Z, Zheng X, Ni W, Zhu J, Fu Y, Lian F, Zhang N, Li J, Zhang H, Mao F.: Development of Multifunctional Pyrimidinylthiourea Derivatives as Potential Anti-Alzheimer Agents. J Med Chem, Volume 59 (18), 2016";ChEMBL
MM474565;MM474565;CCOc1ccc(OC2CCN(c3ncc(C(=O)NO)cn3)CC2)cc1-c1nc2c(CC)nn(C)c2c(=O)[nH]1;GDXUQGMYOAPPJF-UHFFFAOYSA-N;534.58;2.24;137300710;;;CHEMBL3936651;BBB;EPAM;25;0;"<a href=https://www.ebi.ac.uk/chembl/assay_report_card/CHEMBL3861001/  target=_blank>CHEMBL3861001</a>";;;;;;;;;-5.52;;;;;;;;;;;;"Rabal O, Sánchez-Arias JA, Cuadrado-Tejedor M, de Miguel I, Pérez-González M, García-Barroso C, Ugarte A, Estella-Hermoso de Mendoza A, Sáez E, Espelosin M, Ursua S, Haizhong T, Wei W, Musheng X, Garcia-Osta A, Oyarzabal J.: Design, Synthesis, and Biological Evaluation of First-in-Class Dual Acting Histone Deacetylases (HDACs) and Phosphodiesterase 5 (PDE5) Inhibitors for the Treatment of Alzheimer's Disease. J Med Chem, Volume 59 (19), 2016";ChEMBL
MM473325;MM473325;CC1=CC2Cc3nc4cc(Cl)ccc4c(NCCCCCCCCN)c3C(C1)C2;XNJOICNXXFHKKE-RBUKOAKNSA-N;412.02;6.6;134148510;;;CHEMBL3937637;BBB;EPAM;25;0;"<a href=https://www.ebi.ac.uk/chembl/assay_report_card/CHEMBL3859148/  target=_blank>CHEMBL3859148</a>";;;;;;;;;-5.01;;;;;;;;;;;;"Sola I, Artigas A, Taylor MC, Pérez-Areales FJ, Viayna E, Clos MV, Pérez B, Wright CW, Kelly JM, Muñoz-Torrero D.: Synthesis and biological evaluation of N-cyanoalkyl-, N-aminoalkyl-, and N-guanidinoalkyl-substituted 4-aminoquinoline derivatives as potent, selective, brain permeable antitrypanosomal agents. Bioorg Med Chem, Volume 24 (21), 2016";ChEMBL
MM473324;MM473324;CC1=CC2Cc3nc4cc(Cl)ccc4c(NCCCCCCCN)c3C(C1)C2;FFAUOXPPEAMOFH-ZWKOTPCHSA-N;397.99;6.21;117770730;;;CHEMBL3939732;BBB;EPAM;25;0;"<a href=https://www.ebi.ac.uk/chembl/assay_report_card/CHEMBL3859148/  target=_blank>CHEMBL3859148</a>";;;;;;;;;-5.12;;;;;;;;;;;;"Sola I, Artigas A, Taylor MC, Pérez-Areales FJ, Viayna E, Clos MV, Pérez B, Wright CW, Kelly JM, Muñoz-Torrero D.: Synthesis and biological evaluation of N-cyanoalkyl-, N-aminoalkyl-, and N-guanidinoalkyl-substituted 4-aminoquinoline derivatives as potent, selective, brain permeable antitrypanosomal agents. Bioorg Med Chem, Volume 24 (21), 2016";ChEMBL
MM473343;MM473343;COc1cc2c(cc1OC)C(=O)C(CC1CCN(Cc3ccccc3F)CC1)C2;WJIWWKMTCQJEPQ-UHFFFAOYSA-N;397.49;4.5;;;;;BBB;EPAM;25;0;"<a href=https://www.ebi.ac.uk/chembl/assay_report_card/CHEMBL3870528/  target=_blank>CHEMBL3870528</a>";;;;;;;;;-4.86;;;;;;;;;;;;"Wang ZM, Cai P, Liu QH, Xu DQ, Yang XL, Wu JJ, Kong LY, Wang XB.: Rational modification of donepezil as multifunctional acetylcholinesterase inhibitors for the treatment of Alzheimer's disease. Eur J Med Chem, Volume 123, 2016";ChEMBL
MM473350;MM473350;COc1cc2c(cc1OC)C(=O)C(=Cc1ccc(CN3CCCCC3)c(O)c1)CO2;DMOICLPGGHCPJM-VCHYOVAHSA-N;409.48;4.05;132495367;;;CHEMBL3943883;BBB;EPAM;25;0;"<a href=https://www.ebi.ac.uk/chembl/assay_report_card/CHEMBL3874684/  target=_blank>CHEMBL3874684</a>";;;;;;;;;-4.98;;;;;;;;;;;;"Li Y, Qiang X, Luo L, Yang X, Xiao G, Zheng Y, Cao Z, Sang Z, Su F, Deng Y.: Multitarget drug design strategy against Alzheimer's disease: Homoisoflavonoid Mannich base derivatives serve as acetylcholinesterase and monoamine oxidase B dual inhibitors with multifunctional properties. Bioorg Med Chem, Volume 25 (2), 2017";ChEMBL
MM473329;MM473329;CC1=C[C@@H]2Cc3nc4cc(Cl)ccc4c(NCc4ccc(CN)cc4)c3[C@H](C1)C2;HMUIFKGWZQCMHX-RBUKOAKNSA-N;403.96;5.96;;;;;BBB;EPAM;25;0;"<a href=https://www.ebi.ac.uk/chembl/assay_report_card/CHEMBL3859148/  target=_blank>CHEMBL3859148</a>";;;;;;;;;-4.93;;;;;;;;;;;;"Sola I, Artigas A, Taylor MC, Pérez-Areales FJ, Viayna E, Clos MV, Pérez B, Wright CW, Kelly JM, Muñoz-Torrero D.: Synthesis and biological evaluation of N-cyanoalkyl-, N-aminoalkyl-, and N-guanidinoalkyl-substituted 4-aminoquinoline derivatives as potent, selective, brain permeable antitrypanosomal agents. Bioorg Med Chem, Volume 24 (21), 2016";ChEMBL
MM473319;MM473319;CCNC(=S)Nc1cc(-n2cnc(CN3CCN(C)CC3)c2)ncn1;HKYGYTXRCBZVKF-UHFFFAOYSA-N;360.49;0.72;132520942;;;CHEMBL3950058;BBB;EPAM;25;0;"<a href=https://www.ebi.ac.uk/chembl/assay_report_card/CHEMBL3858482/  target=_blank>CHEMBL3858482</a>";;;;;;;;;-5.71;;;;;;;;;;;;"Li X, Wang H, Lu Z, Zheng X, Ni W, Zhu J, Fu Y, Lian F, Zhang N, Li J, Zhang H, Mao F.: Development of Multifunctional Pyrimidinylthiourea Derivatives as Potential Anti-Alzheimer Agents. J Med Chem, Volume 59 (18), 2016";ChEMBL
MM473348;MM473348;COc1cc2c(cc1OC)C(=O)C(CC1CCN(Cc3ccc(O)c4ncccc34)CC1)C2;BJXKNPYYQJEEKX-UHFFFAOYSA-N;446.55;4.61;;;;;BBB;EPAM;25;0;"<a href=https://www.ebi.ac.uk/chembl/assay_report_card/CHEMBL3870528/  target=_blank>CHEMBL3870528</a>";;;;;;;;;-5.06;;;;;;;;;;;;"Wang ZM, Cai P, Liu QH, Xu DQ, Yang XL, Wu JJ, Kong LY, Wang XB.: Rational modification of donepezil as multifunctional acetylcholinesterase inhibitors for the treatment of Alzheimer's disease. Eur J Med Chem, Volume 123, 2016";ChEMBL
MM474563;MM474563;CCCc1nn(C)c2c(=O)[nH]c(-c3cc(N4CCC(CC(=O)NO)CC4)ccc3OCC)nc12;MNXOYOBTYVVLNG-UHFFFAOYSA-N;468.56;2.79;136645392;;;CHEMBL3950140;BBB;EPAM;25;0;"<a href=https://www.ebi.ac.uk/chembl/assay_report_card/CHEMBL3861001/  target=_blank>CHEMBL3861001</a>";;;;;;;;;-6.31;;;;;;;;;;;;"Rabal O, Sánchez-Arias JA, Cuadrado-Tejedor M, de Miguel I, Pérez-González M, García-Barroso C, Ugarte A, Estella-Hermoso de Mendoza A, Sáez E, Espelosin M, Ursua S, Haizhong T, Wei W, Musheng X, Garcia-Osta A, Oyarzabal J.: Design, Synthesis, and Biological Evaluation of First-in-Class Dual Acting Histone Deacetylases (HDACs) and Phosphodiesterase 5 (PDE5) Inhibitors for the Treatment of Alzheimer's Disease. J Med Chem, Volume 59 (19), 2016";ChEMBL
MM473322;MM473322;CC1=CC2Cc3nc4cc(Cl)ccc4c(NCCCCCCCCCCC#N)c3C(C1)C2;UXLPIHWNUHXKOL-FCHUYYIVSA-N;450.07;8.33;134144605;;;CHEMBL3953051;BBB;EPAM;25;0;"<a href=https://www.ebi.ac.uk/chembl/assay_report_card/CHEMBL3859148/  target=_blank>CHEMBL3859148</a>";;;;;;;;;-4.79;;;;;;;;;;;;"Sola I, Artigas A, Taylor MC, Pérez-Areales FJ, Viayna E, Clos MV, Pérez B, Wright CW, Kelly JM, Muñoz-Torrero D.: Synthesis and biological evaluation of N-cyanoalkyl-, N-aminoalkyl-, and N-guanidinoalkyl-substituted 4-aminoquinoline derivatives as potent, selective, brain permeable antitrypanosomal agents. Bioorg Med Chem, Volume 24 (21), 2016";ChEMBL
MM474573;MM474573;CCOc1ccc(-c2ccc(C(=O)NO)nc2)cc1-c1nc2c(CC)nn(C)c2c(=O)[nH]1;PLORDXSOTXFDIZ-UHFFFAOYSA-N;434.46;2.47;137290234;;;CHEMBL3956031;BBB;EPAM;25;0;"<a href=https://www.ebi.ac.uk/chembl/assay_report_card/CHEMBL3861001/  target=_blank>CHEMBL3861001</a>";;;;;;;;;-5.82;;;;;;;;;;;;"Rabal O, Sánchez-Arias JA, Cuadrado-Tejedor M, de Miguel I, Pérez-González M, García-Barroso C, Ugarte A, Estella-Hermoso de Mendoza A, Sáez E, Espelosin M, Ursua S, Haizhong T, Wei W, Musheng X, Garcia-Osta A, Oyarzabal J.: Design, Synthesis, and Biological Evaluation of First-in-Class Dual Acting Histone Deacetylases (HDACs) and Phosphodiesterase 5 (PDE5) Inhibitors for the Treatment of Alzheimer's Disease. J Med Chem, Volume 59 (19), 2016";ChEMBL
MM473351;MM473351;CCN(Cc1ccc(C=C2COc3cc(OC)c(OC)cc3C2=O)cc1O)Cc1ccccc1OC;JVCDOBFRHKQFQV-WSDLNYQXSA-N;489.57;5.1;134144163;;;CHEMBL3956126;BBB;EPAM;25;0;"<a href=https://www.ebi.ac.uk/chembl/assay_report_card/CHEMBL3874684/  target=_blank>CHEMBL3874684</a>";;;;;;;;;-5.22;;;;;;;;;;;;"Li Y, Qiang X, Luo L, Yang X, Xiao G, Zheng Y, Cao Z, Sang Z, Su F, Deng Y.: Multitarget drug design strategy against Alzheimer's disease: Homoisoflavonoid Mannich base derivatives serve as acetylcholinesterase and monoamine oxidase B dual inhibitors with multifunctional properties. Bioorg Med Chem, Volume 25 (2), 2017";ChEMBL
MM473315;MM473315;CCNC(=S)Nc1cc(-n2cnc(CN3CCCC3)c2)ncn1;JRXSQBSSCZWZLM-UHFFFAOYSA-N;331.45;1.56;132520944;;;CHEMBL3960702;BBB;EPAM;25;0;"<a href=https://www.ebi.ac.uk/chembl/assay_report_card/CHEMBL3858482/  target=_blank>CHEMBL3858482</a>";;;;;;;;;-5.94;;;;;;;;;;;;"Li X, Wang H, Lu Z, Zheng X, Ni W, Zhu J, Fu Y, Lian F, Zhang N, Li J, Zhang H, Mao F.: Development of Multifunctional Pyrimidinylthiourea Derivatives as Potential Anti-Alzheimer Agents. J Med Chem, Volume 59 (18), 2016";ChEMBL
MM474569;MM474569;CCOc1ccc(CC2CCC(C(=O)NO)CC2)cc1-c1nc2c(CC)nn(C)c2c(=O)[nH]1;AONVKJLKWPTTHS-KOMQPUFPSA-N;453.54;3.14;137290344;;;CHEMBL3970271;BBB;EPAM;25;0;"<a href=https://www.ebi.ac.uk/chembl/assay_report_card/CHEMBL3861001/  target=_blank>CHEMBL3861001</a>";;;;;;;;;-5.45;;;;;;;;;;;;"Rabal O, Sánchez-Arias JA, Cuadrado-Tejedor M, de Miguel I, Pérez-González M, García-Barroso C, Ugarte A, Estella-Hermoso de Mendoza A, Sáez E, Espelosin M, Ursua S, Haizhong T, Wei W, Musheng X, Garcia-Osta A, Oyarzabal J.: Design, Synthesis, and Biological Evaluation of First-in-Class Dual Acting Histone Deacetylases (HDACs) and Phosphodiesterase 5 (PDE5) Inhibitors for the Treatment of Alzheimer's Disease. J Med Chem, Volume 59 (19), 2016";ChEMBL
MM473320;MM473320;CC1=CC2Cc3nc4cc(Cl)ccc4c(NCCCCCC#N)c3C(C1)C2;WHDFLXFNFFLCAC-DLBZAZTESA-N;379.94;6.38;134153622;;;CHEMBL3970941;BBB;EPAM;25;0;"<a href=https://www.ebi.ac.uk/chembl/assay_report_card/CHEMBL3859148/  target=_blank>CHEMBL3859148</a>";;;;;;;;;-4.91;;;;;;;;;;;;"Sola I, Artigas A, Taylor MC, Pérez-Areales FJ, Viayna E, Clos MV, Pérez B, Wright CW, Kelly JM, Muñoz-Torrero D.: Synthesis and biological evaluation of N-cyanoalkyl-, N-aminoalkyl-, and N-guanidinoalkyl-substituted 4-aminoquinoline derivatives as potent, selective, brain permeable antitrypanosomal agents. Bioorg Med Chem, Volume 24 (21), 2016";ChEMBL
MM474559;MM474559;CCCc1nn(C)c2c(=O)[nH]c(-c3cc(S(=O)(=O)N4CCN(c5ncc(C(=O)NO)cn5)CC4)ccc3OCC)nc12;WNMRXNCXRGFIHO-UHFFFAOYSA-N;597.66;1.09;136286746;;;CHEMBL3970984;BBB;EPAM;25;0;"<a href=https://www.ebi.ac.uk/chembl/assay_report_card/CHEMBL3861001/  target=_blank>CHEMBL3861001</a>";;;;;;;;;-6.14;;;;;;;;;;;;"Rabal O, Sánchez-Arias JA, Cuadrado-Tejedor M, de Miguel I, Pérez-González M, García-Barroso C, Ugarte A, Estella-Hermoso de Mendoza A, Sáez E, Espelosin M, Ursua S, Haizhong T, Wei W, Musheng X, Garcia-Osta A, Oyarzabal J.: Design, Synthesis, and Biological Evaluation of First-in-Class Dual Acting Histone Deacetylases (HDACs) and Phosphodiesterase 5 (PDE5) Inhibitors for the Treatment of Alzheimer's Disease. J Med Chem, Volume 59 (19), 2016";ChEMBL
MM473327;MM473327;CC1=CC2Cc3nc4cc(Cl)ccc4c(NCCCCCCCCCCN)c3C(C1)C2;UCARJJOJVHYGLW-LEWJYISDSA-N;440.08;7.38;134153008;;;CHEMBL3972196;BBB;EPAM;25;0;"<a href=https://www.ebi.ac.uk/chembl/assay_report_card/CHEMBL3859148/  target=_blank>CHEMBL3859148</a>";;;;;;;;;-5.15;;;;;;;;;;;;"Sola I, Artigas A, Taylor MC, Pérez-Areales FJ, Viayna E, Clos MV, Pérez B, Wright CW, Kelly JM, Muñoz-Torrero D.: Synthesis and biological evaluation of N-cyanoalkyl-, N-aminoalkyl-, and N-guanidinoalkyl-substituted 4-aminoquinoline derivatives as potent, selective, brain permeable antitrypanosomal agents. Bioorg Med Chem, Volume 24 (21), 2016";ChEMBL
MM474564;MM474564;CCOc1ccc(Oc2ccc(C(=O)NO)cc2)cc1-c1nc2c(CC)nn(C)c2c(=O)[nH]1;WSGMHEHWZCPQNM-UHFFFAOYSA-N;449.47;3.2;137300708;;;CHEMBL3974954;BBB;EPAM;25;0;"<a href=https://www.ebi.ac.uk/chembl/assay_report_card/CHEMBL3861001/  target=_blank>CHEMBL3861001</a>";;;;;;;;;-5.43;;;;;;;;;;;;"Rabal O, Sánchez-Arias JA, Cuadrado-Tejedor M, de Miguel I, Pérez-González M, García-Barroso C, Ugarte A, Estella-Hermoso de Mendoza A, Sáez E, Espelosin M, Ursua S, Haizhong T, Wei W, Musheng X, Garcia-Osta A, Oyarzabal J.: Design, Synthesis, and Biological Evaluation of First-in-Class Dual Acting Histone Deacetylases (HDACs) and Phosphodiesterase 5 (PDE5) Inhibitors for the Treatment of Alzheimer's Disease. J Med Chem, Volume 59 (19), 2016";ChEMBL
MM474568;MM474568;CCOc1ccc(CC2CCC(CC(=O)NO)CC2)cc1-c1nc2c(CC)nn(C)c2c(=O)[nH]1;UHKNEXVMKSLWAS-UHFFFAOYSA-N;467.57;3.53;137300712;;;CHEMBL3976546;BBB;EPAM;25;0;"<a href=https://www.ebi.ac.uk/chembl/assay_report_card/CHEMBL3861001/  target=_blank>CHEMBL3861001</a>";;;;;;;;;-5.51;;;;;;;;;;;;"Rabal O, Sánchez-Arias JA, Cuadrado-Tejedor M, de Miguel I, Pérez-González M, García-Barroso C, Ugarte A, Estella-Hermoso de Mendoza A, Sáez E, Espelosin M, Ursua S, Haizhong T, Wei W, Musheng X, Garcia-Osta A, Oyarzabal J.: Design, Synthesis, and Biological Evaluation of First-in-Class Dual Acting Histone Deacetylases (HDACs) and Phosphodiesterase 5 (PDE5) Inhibitors for the Treatment of Alzheimer's Disease. J Med Chem, Volume 59 (19), 2016";ChEMBL
MM473311;MM473311;CCNC(=S)Nc1cc(-n2cnc(CN(C)C)c2)ncn1;ZYRHWSXULGFCCS-UHFFFAOYSA-N;305.41;1.03;132520938;;;CHEMBL3979903;BBB;EPAM;25;0;"<a href=https://www.ebi.ac.uk/chembl/assay_report_card/CHEMBL3858482/  target=_blank>CHEMBL3858482</a>";;;;;;;;;-5.52;;;;;;;;;;;;"Li X, Wang H, Lu Z, Zheng X, Ni W, Zhu J, Fu Y, Lian F, Zhang N, Li J, Zhang H, Mao F.: Development of Multifunctional Pyrimidinylthiourea Derivatives as Potential Anti-Alzheimer Agents. J Med Chem, Volume 59 (18), 2016";ChEMBL
MM473323;MM473323;CC1=CC2Cc3nc4cc(Cl)ccc4c(NCc4ccc(C#N)cc4)c3C(C1)C2;LLXSXGQJPHJSJR-RBUKOAKNSA-N;399.93;6.37;134157924;;;CHEMBL3981794;BBB;EPAM;25;0;"<a href=https://www.ebi.ac.uk/chembl/assay_report_card/CHEMBL3859148/  target=_blank>CHEMBL3859148</a>";;;;;;;;;-4.71;;;;;;;;;;;;"Sola I, Artigas A, Taylor MC, Pérez-Areales FJ, Viayna E, Clos MV, Pérez B, Wright CW, Kelly JM, Muñoz-Torrero D.: Synthesis and biological evaluation of N-cyanoalkyl-, N-aminoalkyl-, and N-guanidinoalkyl-substituted 4-aminoquinoline derivatives as potent, selective, brain permeable antitrypanosomal agents. Bioorg Med Chem, Volume 24 (21), 2016";ChEMBL
MM474572;MM474572;CCOc1ccc(-c2ccc(C(=O)NO)cn2)cc1-c1nc2c(CC)nn(C)c2c(=O)[nH]1;DOAYIESEJIQPCD-UHFFFAOYSA-N;434.46;2.47;137300702;;;CHEMBL3984639;BBB;EPAM;25;0;"<a href=https://www.ebi.ac.uk/chembl/assay_report_card/CHEMBL3861001/  target=_blank>CHEMBL3861001</a>";;;;;;;;;-6.04;;;;;;;;;;;;"Rabal O, Sánchez-Arias JA, Cuadrado-Tejedor M, de Miguel I, Pérez-González M, García-Barroso C, Ugarte A, Estella-Hermoso de Mendoza A, Sáez E, Espelosin M, Ursua S, Haizhong T, Wei W, Musheng X, Garcia-Osta A, Oyarzabal J.: Design, Synthesis, and Biological Evaluation of First-in-Class Dual Acting Histone Deacetylases (HDACs) and Phosphodiesterase 5 (PDE5) Inhibitors for the Treatment of Alzheimer's Disease. J Med Chem, Volume 59 (19), 2016";ChEMBL
MM474560;MM474560;CCCc1nn(C)c2c(=O)[nH]c(-c3cc(S(=O)(=O)NC4CCN(c5ncc(C(=O)NO)cn5)CC4)ccc3OCC)nc12;RYUAYVJJTOJXBO-UHFFFAOYSA-N;611.69;1.53;136985292;;;CHEMBL3986487;BBB;EPAM;25;0;"<a href=https://www.ebi.ac.uk/chembl/assay_report_card/CHEMBL3861001/  target=_blank>CHEMBL3861001</a>";;;;;;;;;-7;;;;;;;;;;;;"Rabal O, Sánchez-Arias JA, Cuadrado-Tejedor M, de Miguel I, Pérez-González M, García-Barroso C, Ugarte A, Estella-Hermoso de Mendoza A, Sáez E, Espelosin M, Ursua S, Haizhong T, Wei W, Musheng X, Garcia-Osta A, Oyarzabal J.: Design, Synthesis, and Biological Evaluation of First-in-Class Dual Acting Histone Deacetylases (HDACs) and Phosphodiesterase 5 (PDE5) Inhibitors for the Treatment of Alzheimer's Disease. J Med Chem, Volume 59 (19), 2016";ChEMBL
Ofloxacin;MM00769;CC1COc2c(N3CCN(C)CC3)c(F)cc3c(=O)c(C(=O)O)cn1c23;GSDSWSVVBLHKDQ-UHFFFAOYSA-N;361.37;1.54;4583;DB01165;;CHEMBL4;BBB;EPAM;25;0;"ph = 7.4, <a href=https://www.ebi.ac.uk/chembl/assay_report_card/CHEMBL3767515/  target=_blank>CHEMBL3767515</a>";;;;;;;;;-5.88;;;;;;;;;;;;"Xie SS, Lan JS, Wang X, Wang ZM, Jiang N, Li F, Wu JJ, Wang J, Kong LY.: Design, synthesis and biological evaluation of novel donepezil-coumarin hybrids as multi-target agents for the treatment of Alzheimer's disease. Bioorg Med Chem, Volume 24 (7), 2016";ChEMBL
Ofloxacin;MM00769;CC1COc2c(N3CCN(C)CC3)c(F)cc3c(=O)c(C(=O)O)cn1c23;GSDSWSVVBLHKDQ-UHFFFAOYSA-N;361.37;1.54;4583;DB01165;;CHEMBL4;BBB;EPAM;25;0;"ph = 7.4, <a href=https://www.ebi.ac.uk/chembl/assay_report_card/CHEMBL3767688/  target=_blank>CHEMBL3767688</a>";;;;;;;;;-6.1;;;;;;;;;;;;"Xie SS, Lan JS, Wang X, Wang ZM, Jiang N, Li F, Wu JJ, Wang J, Kong LY.: Design, synthesis and biological evaluation of novel donepezil-coumarin hybrids as multi-target agents for the treatment of Alzheimer's disease. Bioorg Med Chem, Volume 24 (7), 2016";ChEMBL
Ofloxacin;MM00769;CC1COc2c(N3CCN(C)CC3)c(F)cc3c(=O)c(C(=O)O)cn1c23;GSDSWSVVBLHKDQ-UHFFFAOYSA-N;361.37;1.54;4583;DB01165;;CHEMBL4;BBB;EPAM;25;0;"<a href=https://www.ebi.ac.uk/chembl/assay_report_card/CHEMBL3859151/  target=_blank>CHEMBL3859151</a>";;;;;;;;;-6.1;;;;;;;;;;;;"Sola I, Artigas A, Taylor MC, Pérez-Areales FJ, Viayna E, Clos MV, Pérez B, Wright CW, Kelly JM, Muñoz-Torrero D.: Synthesis and biological evaluation of N-cyanoalkyl-, N-aminoalkyl-, and N-guanidinoalkyl-substituted 4-aminoquinoline derivatives as potent, selective, brain permeable antitrypanosomal agents. Bioorg Med Chem, Volume 24 (21), 2016";ChEMBL
Ofloxacin;MM00769;CC1COc2c(N3CCN(C)CC3)c(F)cc3c(=O)c(C(=O)O)cn1c23;GSDSWSVVBLHKDQ-UHFFFAOYSA-N;361.37;1.54;4583;DB01165;;CHEMBL4;BBB;EPAM;25;0;"<a href=https://www.ebi.ac.uk/chembl/assay_report_card/CHEMBL3383778/  target=_blank>CHEMBL3383778</a>";;;;;;;;;-6.01;;;;;;;;;;;;"Sola I, Artigas A, Taylor MC, Gbedema SY, Pérez B, Clos MV, Wright CW, Kelly JM, Muñoz-Torrero D.: Synthesis and antiprotozoal activity of oligomethylene- and  p-phenylene-bis(methylene)-linked bis(+)-huprines. Bioorg Med Chem Lett, Volume 24 (23), 2014";ChEMBL
Ofloxacin;MM00769;CC1COc2c(N3CCN(C)CC3)c(F)cc3c(=O)c(C(=O)O)cn1c23;GSDSWSVVBLHKDQ-UHFFFAOYSA-N;361.37;1.54;4583;DB01165;;CHEMBL4;BBB;EPAM;25;0;"<a href=https://www.ebi.ac.uk/chembl/assay_report_card/CHEMBL1936479/  target=_blank>CHEMBL1936479</a>";;;;;;;;;-6.15;;;;;;;;;;;;"Chiriano G, De Simone A, Mancini F, Perez DI, Cavalli A, Bolognesi ML, Legname G, Martinez A, Andrisano V, Carloni P, Roberti M.: A small chemical library of 2-aminoimidazole derivatives as BACE-1 inhibitors: Structure-based design, synthesis, and biological evaluation. Eur J Med Chem, Volume 48, 2012";ChEMBL
Ofloxacin;MM00769;CC1COc2c(N3CCN(C)CC3)c(F)cc3c(=O)c(C(=O)O)cn1c23;GSDSWSVVBLHKDQ-UHFFFAOYSA-N;361.37;1.54;4583;DB01165;;CHEMBL4;BBB;EPAM;25;0;"<a href=https://www.ebi.ac.uk/chembl/assay_report_card/CHEMBL2162575/  target=_blank>CHEMBL2162575</a>";;;;;;;;;-5.96;;;;;;;;;;;;"Chavarría C, Perez DI, Pérez C, Morales Garcia JA, Alonso-Gil S, Pérez-Castillo A, Gil C, Souza JM, Porcal W.: Microwave-assisted synthesis of hydroxyphenyl nitrones with protective action against oxidative stress. Eur J Med Chem, Volume 58, 2012";ChEMBL
Ofloxacin;MM00769;CC1COc2c(N3CCN(C)CC3)c(F)cc3c(=O)c(C(=O)O)cn1c23;GSDSWSVVBLHKDQ-UHFFFAOYSA-N;361.37;1.54;4583;DB01165;;CHEMBL4;BBB;EPAM;25;0;"<a href=https://www.ebi.ac.uk/chembl/assay_report_card/CHEMBL3364959/  target=_blank>CHEMBL3364959</a>";;;;;;;;;-6.01;;;;;;;;;;;;"Di Pietro O, Pérez-Areales FJ, Juárez-Jiménez J, Espargaró A, Clos MV, Pérez B, Lavilla R, Sabaté R, Luque FJ, Muñoz-Torrero D.: Tetrahydrobenzo[h][1,6]naphthyridine-6-chlorotacrine hybrids as a new family of anti-Alzheimer agents targeting β-amyloid, tau, and cholinesterase pathologies. Eur J Med Chem, Volume 84, 2014";ChEMBL
Ofloxacin;MM00769;CC1COc2c(N3CCN(C)CC3)c(F)cc3c(=O)c(C(=O)O)cn1c23;GSDSWSVVBLHKDQ-UHFFFAOYSA-N;361.37;1.54;4583;DB01165;;CHEMBL4;BBB;EPAM;25;0;"<a href=https://www.ebi.ac.uk/chembl/assay_report_card/CHEMBL3418564/  target=_blank>CHEMBL3418564</a>";;;;;;;;;-6.1;;;;;;;;;;;;"Xie SS, Wang X, Jiang N, Yu W, Wang KD, Lan JS, Li ZR, Kong LY.: Multi-target tacrine-coumarin hybrids: cholinesterase and monoamine oxidase B inhibition properties against Alzheimer's disease. Eur J Med Chem, Volume 95, 2015";ChEMBL
Ofloxacin;MM00769;CC1COc2c(N3CCN(C)CC3)c(F)cc3c(=O)c(C(=O)O)cn1c23;GSDSWSVVBLHKDQ-UHFFFAOYSA-N;361.37;1.54;4583;DB01165;;CHEMBL4;BBB;EPAM;25;0;"<a href=https://www.ebi.ac.uk/chembl/assay_report_card/CHEMBL3743403/  target=_blank>CHEMBL3743403</a>";;;;;;;;;-6.1;;;;;;;;;;;;"Di Pietro O, Vicente-García E, Taylor MC, Berenguer D, Viayna E, Lanzoni A, Sola I, Sayago H, Riera C, Fisa R, Clos MV, Pérez B, Kelly JM, Lavilla R, Muñoz-Torrero D.: Multicomponent reaction-based synthesis and biological evaluation of tricyclic heterofused quinolines with multi-trypanosomatid activity. Eur J Med Chem, Volume 105, 2015";ChEMBL
Ofloxacin;MM00769;CC1COc2c(N3CCN(C)CC3)c(F)cc3c(=O)c(C(=O)O)cn1c23;GSDSWSVVBLHKDQ-UHFFFAOYSA-N;361.37;1.54;4583;DB01165;;CHEMBL4;BBB;EPAM;25;0;"<a href=https://www.ebi.ac.uk/chembl/assay_report_card/CHEMBL4192184/  target=_blank>CHEMBL4192184</a>";;;;;;;;;-6.1;;;;;;;;;;;;"Salado IG, Zaldivar-Diez J, Sebastián-Pérez V, Li L, Geiger L, González S, Campillo NE, Gil C, Morales AV, Perez DI, Martinez A.: Leucine rich repeat kinase 2 (LRRK2) inhibitors based on indolinone scaffold: Potential pro-neurogenic agents. Eur J Med Chem, Volume 138, 2017";ChEMBL
Ofloxacin;MM00769;CC1COc2c(N3CCN(C)CC3)c(F)cc3c(=O)c(C(=O)O)cn1c23;GSDSWSVVBLHKDQ-UHFFFAOYSA-N;361.37;1.54;4583;DB01165;;CHEMBL4;BBB;EPAM;25;0;"<a href=https://www.ebi.ac.uk/chembl/assay_report_card/CHEMBL4147571/  target=_blank>CHEMBL4147571</a>";;;;;;;;;-5.96;;;;;;;;;;;;"Jiang N, Huang Q, Liu J, Liang N, Li Q, Li Q, Xie SS.: Design, synthesis and biological evaluation of new coumarin-dithiocarbamate hybrids as multifunctional agents for the treatment of Alzheimer's disease. Eur J Med Chem, Volume 146, 2018";ChEMBL
Ofloxacin;MM00769;CC1COc2c(N3CCN(C)CC3)c(F)cc3c(=O)c(C(=O)O)cn1c23;GSDSWSVVBLHKDQ-UHFFFAOYSA-N;361.37;1.54;4583;DB01165;;CHEMBL4;BBB;EPAM;25;0;"<a href=https://www.ebi.ac.uk/chembl/assay_report_card/CHEMBL4147572/  target=_blank>CHEMBL4147572</a>";;;;;;;;;-6.1;;;;;;;;;;;;"Jiang N, Huang Q, Liu J, Liang N, Li Q, Li Q, Xie SS.: Design, synthesis and biological evaluation of new coumarin-dithiocarbamate hybrids as multifunctional agents for the treatment of Alzheimer's disease. Eur J Med Chem, Volume 146, 2018";ChEMBL
Ofloxacin;MM00769;CC1COc2c(N3CCN(C)CC3)c(F)cc3c(=O)c(C(=O)O)cn1c23;GSDSWSVVBLHKDQ-UHFFFAOYSA-N;361.37;1.54;4583;DB01165;;CHEMBL4;BBB;EPAM;25;0;"<a href=https://www.ebi.ac.uk/chembl/assay_report_card/CHEMBL3239333/  target=_blank>CHEMBL3239333</a>";;;;;;;;;-6.4;;;;;;;;;;;;"Salado IG, Redondo M, Bello ML, Perez C, Liachko NF, Kraemer BC, Miguel L, Lecourtois M, Gil C, Martinez A, Perez DI.: Protein kinase CK-1 inhibitors as new potential drugs for amyotrophic lateral sclerosis. J Med Chem, Volume 57 (6), 2014";ChEMBL
Ofloxacin;MM00769;CC1COc2c(N3CCN(C)CC3)c(F)cc3c(=O)c(C(=O)O)cn1c23;GSDSWSVVBLHKDQ-UHFFFAOYSA-N;361.37;1.54;4583;DB01165;;CHEMBL4;BBB;EPAM;25;0;"<a href=https://www.ebi.ac.uk/chembl/assay_report_card/CHEMBL1004514/  target=_blank>CHEMBL1004514</a>";;;;;;;;;-6.52;;;;;;;;;;;;"Marco-Contelles J, León R, de los Ríos C, Samadi A, Bartolini M, Andrisano V, Huertas O, Barril X, Luque FJ, Rodríguez-Franco MI, López B, López MG, García AG, Carreiras Mdo C, Villarroya M.: Tacripyrines, the first tacrine-dihydropyridine hybrids, as multitarget-directed ligands for the treatment of Alzheimer's disease. J Med Chem, Volume 52 (9), 2009";ChEMBL
MM471001;MM471001;CSc1nc(Nc2cccc(Cl)c2)c2cnn(CC(Cl)c3ccccc3)c2n1;ZSKSRKTYCCBGOO-UHFFFAOYSA-N;430.36;5.93;23655682;;;CHEMBL400211;BBB;EPAM;25;0;"<a href=https://www.ebi.ac.uk/chembl/assay_report_card/CHEMBL4013499/  target=_blank>CHEMBL4013499</a>";;;;;;;;;-5.5;;;;;;;;;;;;"Vignaroli G, Iovenitti G, Zamperini C, Coniglio F, Calandro P, Molinari A, Fallacara AL, Sartucci A, Calgani A, Colecchia D, Mancini A, Festuccia C, Dreassi E, Valoti M, Musumeci F, Chiariello M, Angelucci A, Botta M, Schenone S.: Prodrugs of Pyrazolo[3,4-d]pyrimidines: From Library Synthesis to Evaluation as Potential Anticancer Agents in an Orthotopic Glioblastoma Model. J Med Chem, Volume 60 (14), 2017";ChEMBL
MM474251;MM474251;CSc1nc(N(C(=O)OCCN2CCN(C)CC2)c2cccc(Cl)c2)c2cnn(CCc3ccccc3)c2n1;;566.13;4.97;135202861;;;CHEMBL4059566;BBB;EPAM;25;0;"<a href=https://www.ebi.ac.uk/chembl/assay_report_card/CHEMBL4013499/  target=_blank>CHEMBL4013499</a>";;;;;;;;;-5.37;;;;;;;;;;;;"Vignaroli G, Iovenitti G, Zamperini C, Coniglio F, Calandro P, Molinari A, Fallacara AL, Sartucci A, Calgani A, Colecchia D, Mancini A, Festuccia C, Dreassi E, Valoti M, Musumeci F, Chiariello M, Angelucci A, Botta M, Schenone S.: Prodrugs of Pyrazolo[3,4-d]pyrimidines: From Library Synthesis to Evaluation as Potential Anticancer Agents in an Orthotopic Glioblastoma Model. J Med Chem, Volume 60 (14), 2017";ChEMBL
MM474258;MM474258;CSc1nc(N(C(=O)OC(Cc2ccccc2)CN2CCN(C)CC2)c2cccc(Br)c2)c2cnn(CC(C)c3ccccc3)c2n1;;714.73;7.25;137636138;;;CHEMBL4060917;BBB;EPAM;25;0;"<a href=https://www.ebi.ac.uk/chembl/assay_report_card/CHEMBL4013499/  target=_blank>CHEMBL4013499</a>";;;;;;;;;-6;;;;;;;;;;;;"Vignaroli G, Iovenitti G, Zamperini C, Coniglio F, Calandro P, Molinari A, Fallacara AL, Sartucci A, Calgani A, Colecchia D, Mancini A, Festuccia C, Dreassi E, Valoti M, Musumeci F, Chiariello M, Angelucci A, Botta M, Schenone S.: Prodrugs of Pyrazolo[3,4-d]pyrimidines: From Library Synthesis to Evaluation as Potential Anticancer Agents in an Orthotopic Glioblastoma Model. J Med Chem, Volume 60 (14), 2017";ChEMBL
MM474247;MM474247;CCCCC1OC(=O)c2cc(-n3nc(C(F)(F)F)cc3O)ccc21;FOVGNCPUPALUNV-UHFFFAOYSA-N;340.3;4;;;;;BBB;EPAM;25;0;"<a href=https://www.ebi.ac.uk/chembl/assay_report_card/CHEMBL4004497/  target=_blank>CHEMBL4004497</a>";;;;;;;;;-6.17;;;;;;;;;;;;"Qiang X, Li Y, Yang X, Luo L, Xu R, Zheng Y, Cao Z, Tan Z, Deng Y.: DL-3-n-butylphthalide-Edaravone hybrids as novel dual inhibitors of amyloid-β aggregation and monoamine oxidases with high antioxidant potency for Alzheimer's therapy. Bioorg Med Chem Lett, Volume 27 (4), 2017";ChEMBL
MM473386;MM473386;COc1ccc(C(=O)CC(=O)CC2CCN(Cc3ccccc3)CC2)cc1OC;WGILVPQBGLECSK-UHFFFAOYSA-N;395.5;4.15;137634633;;;CHEMBL4063499;BBB;EPAM;25;0;"<a href=https://www.ebi.ac.uk/chembl/assay_report_card/CHEMBL4021498/  target=_blank>CHEMBL4021498</a>";;;;;;;;;-4.92;;;;;;;;;;;;"Yan J, Hu J, Liu A, He L, Li X, Wei H.: Design, synthesis, and evaluation of multitarget-directed ligands against Alzheimer's disease based on the fusion of donepezil and curcumin. Bioorg Med Chem, Volume 25 (12), 2017";ChEMBL
MM474249;MM474249;CN1CCN(CCOC(=O)N(Cc2ccccc2)c2ncnc3c2cnn3CC(Cl)c2ccccc2)CC1;;534.06;4.2;135184698;;;CHEMBL4068211;BBB;EPAM;25;0;"<a href=https://www.ebi.ac.uk/chembl/assay_report_card/CHEMBL4013499/  target=_blank>CHEMBL4013499</a>";;;;;;;;;-5.3;;;;;;;;;;;;"Vignaroli G, Iovenitti G, Zamperini C, Coniglio F, Calandro P, Molinari A, Fallacara AL, Sartucci A, Calgani A, Colecchia D, Mancini A, Festuccia C, Dreassi E, Valoti M, Musumeci F, Chiariello M, Angelucci A, Botta M, Schenone S.: Prodrugs of Pyrazolo[3,4-d]pyrimidines: From Library Synthesis to Evaluation as Potential Anticancer Agents in an Orthotopic Glioblastoma Model. J Med Chem, Volume 60 (14), 2017";ChEMBL
MM474257;MM474257;CCC(CN1CCN(C)CC1)OC(=O)N(c1cccc(Br)c1)c1nc(SC)nc2c1cnn2CC(C)c1ccccc1;;652.66;6.42;135202931;;;CHEMBL4069584;BBB;EPAM;25;0;"<a href=https://www.ebi.ac.uk/chembl/assay_report_card/CHEMBL4013499/  target=_blank>CHEMBL4013499</a>";;;;;;;;;-6.03;;;;;;;;;;;;"Vignaroli G, Iovenitti G, Zamperini C, Coniglio F, Calandro P, Molinari A, Fallacara AL, Sartucci A, Calgani A, Colecchia D, Mancini A, Festuccia C, Dreassi E, Valoti M, Musumeci F, Chiariello M, Angelucci A, Botta M, Schenone S.: Prodrugs of Pyrazolo[3,4-d]pyrimidines: From Library Synthesis to Evaluation as Potential Anticancer Agents in an Orthotopic Glioblastoma Model. J Med Chem, Volume 60 (14), 2017";ChEMBL
MM473365;MM473365;"CCN(Cc1ccc(/C=C2\Oc3cc(OC)c(OC)cc3C2=O)cc1O)Cc1ccccc1N(C)C";CIXOQJMFWVATNE-MUXKCCDJSA-N;488.58;5.11;;;;;BBB;EPAM;25;0;"<a href=https://www.ebi.ac.uk/chembl/assay_report_card/CHEMBL4003401/  target=_blank>CHEMBL4003401</a>";;;;;;;;;-4.91;;;;;;;;;;;;"Li Y, Qiang X, Luo L, Yang X, Xiao G, Liu Q, Ai J, Tan Z, Deng Y.: Aurone Mannich base derivatives as promising multifunctional agents with acetylcholinesterase inhibition, anti-β-amyloid aggragation and neuroprotective properties for the treatment of Alzheimer's disease. Eur J Med Chem, Volume 126, 2017";ChEMBL
MM474246;MM474246;CCCCCCCC1OC(=O)c2cc(N3N=C(C)CC3=O)ccc21;CBLDBELOHKLSHL-UHFFFAOYSA-N;328.41;4.37;;;;;BBB;EPAM;25;0;"<a href=https://www.ebi.ac.uk/chembl/assay_report_card/CHEMBL4004497/  target=_blank>CHEMBL4004497</a>";;;;;;;;;-5.37;;;;;;;;;;;;"Qiang X, Li Y, Yang X, Luo L, Xu R, Zheng Y, Cao Z, Tan Z, Deng Y.: DL-3-n-butylphthalide-Edaravone hybrids as novel dual inhibitors of amyloid-β aggregation and monoamine oxidases with high antioxidant potency for Alzheimer's therapy. Bioorg Med Chem Lett, Volume 27 (4), 2017";ChEMBL
MM472769;MM472769;COc1cc(NC(=S)NCCCn2cncc2C)ccc1OCCN1CCNCC1;OENUKUUHPGYBMB-UHFFFAOYSA-N;432.59;1.86;137650020;;;CHEMBL4077433;BBB;EPAM;25;0;"<a href=https://www.ebi.ac.uk/chembl/assay_report_card/CHEMBL4009734/  target=_blank>CHEMBL4009734</a>";;;;;;;;;-6.1;;;;;;;;;;;;"Hoang VH, Tran PT, Cui M, Ngo VT, Ann J, Park J, Lee J, Choi K, Cho H, Kim H, Ha HJ, Hong HS, Choi S, Kim YH, Lee J.: Discovery of Potent Human Glutaminyl Cyclase Inhibitors as Anti-Alzheimer's Agents Based on Rational Design. J Med Chem, Volume 60 (6), 2017";ChEMBL
MM471709;MM471709;CC(C)(C)NC(=O)Nc1ncccc1OCc1ccccc1;AQZADHLLCRISGP-UHFFFAOYSA-N;299.37;3.58;;;;;BBB;EPAM;25;0;"ph = 7.4, <a href=https://www.ebi.ac.uk/chembl/assay_report_card/CHEMBL4005804/  target=_blank>CHEMBL4005804</a>";;;;;;;;;-4.35;;;;;;;;;;;;"Elkamhawy A, Park JE, Hassan AHE, Ra H, Pae AN, Lee J, Park BG, Moon B, Park HM, Roh EJ.: Discovery of 1-(3-(benzyloxy)pyridin-2-yl)-3-(2-(piperazin-1-yl)ethyl)urea: A new modulator for amyloid beta-induced mitochondrial dysfunction. Eur J Med Chem, Volume 128, 2017";ChEMBL
MM474254;MM474254;CN1CCN(CCOC(=O)N(c2ccccc2)c2ncnc3c2cnn3CC(Cl)c2ccc(Br)cc2)CC1;;598.93;5.09;121316139;;;CHEMBL4080000;BBB;EPAM;25;0;"<a href=https://www.ebi.ac.uk/chembl/assay_report_card/CHEMBL4013499/  target=_blank>CHEMBL4013499</a>";;;;;;;;;-5.16;;;;;;;;;;;;"Vignaroli G, Iovenitti G, Zamperini C, Coniglio F, Calandro P, Molinari A, Fallacara AL, Sartucci A, Calgani A, Colecchia D, Mancini A, Festuccia C, Dreassi E, Valoti M, Musumeci F, Chiariello M, Angelucci A, Botta M, Schenone S.: Prodrugs of Pyrazolo[3,4-d]pyrimidines: From Library Synthesis to Evaluation as Potential Anticancer Agents in an Orthotopic Glioblastoma Model. J Med Chem, Volume 60 (14), 2017";ChEMBL
MM471711;MM471711;CC(=O)C1=CN(Cc2ccccc2C)C=CC1CC1Cc2cc3c(cc2C1=O)OCO3;HGNCFUVNDTUKIL-UHFFFAOYSA-N;415.49;4.59;118557917;;;CHEMBL4081776;BBB;EPAM;25;0;"ph = 7.4, <a href=https://www.ebi.ac.uk/chembl/assay_report_card/CHEMBL4013237/  target=_blank>CHEMBL4013237</a>";;;;;;;;;-4.84;;;;;;;;;;;;"Peauger L, Azzouz R, Gembus V, Ţînţaş ML, Sopková-de Oliveira Santos J, Bohn P, Papamicaël C, Levacher V.: Donepezil-Based Central Acetylcholinesterase Inhibitors by Means of a ""Bio-Oxidizable"" Prodrug Strategy: Design, Synthesis, and in Vitro Biological Evaluation. J Med Chem, Volume 60 (13), 2017";ChEMBL
MM474245;MM474245;CCCCC1OC(=O)c2cc(N3N=C(C)CC3=O)ccc21;HILOOKDXFHSXIA-UHFFFAOYSA-N;286.33;3.2;137645994;;;CHEMBL4081930;BBB;EPAM;25;0;"<a href=https://www.ebi.ac.uk/chembl/assay_report_card/CHEMBL4004497/  target=_blank>CHEMBL4004497</a>";;;;;;;;;-5.4;;;;;;;;;;;;"Qiang X, Li Y, Yang X, Luo L, Xu R, Zheng Y, Cao Z, Tan Z, Deng Y.: DL-3-n-butylphthalide-Edaravone hybrids as novel dual inhibitors of amyloid-β aggregation and monoamine oxidases with high antioxidant potency for Alzheimer's therapy. Bioorg Med Chem Lett, Volume 27 (4), 2017";ChEMBL
MM472771;MM472771;COc1cc(NC(=S)NCCCn2cncc2C)ccc1OCCCN;KJYIYOZUICFNIU-UHFFFAOYSA-N;377.51;2.3;137646722;;;CHEMBL4082916;BBB;EPAM;25;0;"<a href=https://www.ebi.ac.uk/chembl/assay_report_card/CHEMBL4009734/  target=_blank>CHEMBL4009734</a>";;;;;;;;;-6.2;;;;;;;;;;;;"Hoang VH, Tran PT, Cui M, Ngo VT, Ann J, Park J, Lee J, Choi K, Cho H, Kim H, Ha HJ, Hong HS, Choi S, Kim YH, Lee J.: Discovery of Potent Human Glutaminyl Cyclase Inhibitors as Anti-Alzheimer's Agents Based on Rational Design. J Med Chem, Volume 60 (6), 2017";ChEMBL
MM473384;MM473384;COc1ccc(C(=O)CC(=O)CC2CCN(Cc3ccccc3)CC2)cc1O;XBOLDYRDLNIPBU-UHFFFAOYSA-N;381.47;3.85;132569667;;;CHEMBL4083028;BBB;EPAM;25;0;"<a href=https://www.ebi.ac.uk/chembl/assay_report_card/CHEMBL4021498/  target=_blank>CHEMBL4021498</a>";;;;;;;;;-4.93;;;;;;;;;;;;"Yan J, Hu J, Liu A, He L, Li X, Wei H.: Design, synthesis, and evaluation of multitarget-directed ligands against Alzheimer's disease based on the fusion of donepezil and curcumin. Bioorg Med Chem, Volume 25 (12), 2017";ChEMBL
MM474248;MM474248;CCCCCCCC1OC(=O)c2cc(-n3[nH]c(C(F)(F)F)cc3=O)ccc21;PEZDRRPKRJBNNY-UHFFFAOYSA-N;382.38;5.17;137646552;;;CHEMBL4084286;BBB;EPAM;25;0;"<a href=https://www.ebi.ac.uk/chembl/assay_report_card/CHEMBL4004497/  target=_blank>CHEMBL4004497</a>";;;;;;;;;-6.14;;;;;;;;;;;;"Qiang X, Li Y, Yang X, Luo L, Xu R, Zheng Y, Cao Z, Tan Z, Deng Y.: DL-3-n-butylphthalide-Edaravone hybrids as novel dual inhibitors of amyloid-β aggregation and monoamine oxidases with high antioxidant potency for Alzheimer's therapy. Bioorg Med Chem Lett, Volume 27 (4), 2017";ChEMBL
MM474256;MM474256;CSc1nc(N(C(=O)OC(C)CN2CCN(C)CC2)c2cccc(Br)c2)c2cnn(CC(C)c3ccccc3)c2n1;;638.64;6.03;121305843;;;CHEMBL4084427;BBB;EPAM;25;0;"<a href=https://www.ebi.ac.uk/chembl/assay_report_card/CHEMBL4013499/  target=_blank>CHEMBL4013499</a>";;;;;;;;;-5.62;;;;;;;;;;;;"Vignaroli G, Iovenitti G, Zamperini C, Coniglio F, Calandro P, Molinari A, Fallacara AL, Sartucci A, Calgani A, Colecchia D, Mancini A, Festuccia C, Dreassi E, Valoti M, Musumeci F, Chiariello M, Angelucci A, Botta M, Schenone S.: Prodrugs of Pyrazolo[3,4-d]pyrimidines: From Library Synthesis to Evaluation as Potential Anticancer Agents in an Orthotopic Glioblastoma Model. J Med Chem, Volume 60 (14), 2017";ChEMBL
MM473385;MM473385;COc1ccc(C(=O)CC(=O)CC2CCN(Cc3cccc(C)c3)CC2)cc1O;FNJZKCFCIULQJC-UHFFFAOYSA-N;395.5;4.15;137648247;;;CHEMBL4085122;BBB;EPAM;25;0;"<a href=https://www.ebi.ac.uk/chembl/assay_report_card/CHEMBL4021498/  target=_blank>CHEMBL4021498</a>";;;;;;;;;-4.95;;;;;;;;;;;;"Yan J, Hu J, Liu A, He L, Li X, Wei H.: Design, synthesis, and evaluation of multitarget-directed ligands against Alzheimer's disease based on the fusion of donepezil and curcumin. Bioorg Med Chem, Volume 25 (12), 2017";ChEMBL
MM474243;MM474243;CCN(CCCCCCOc1cc(O)c2c(=O)c3ccccc3sc2c1)Cc1ccccc1;SRHAVXMMGYCXPD-UHFFFAOYSA-N;461.63;6.58;137642409;;;CHEMBL4085819;BBB;EPAM;25;0;"<a href=https://www.ebi.ac.uk/chembl/assay_report_card/CHEMBL3994367/  target=_blank>CHEMBL3994367</a>";;;;;;;;;-5.39;;;;;;;;;;;;"Luo L, Li Y, Qiang X, Cao Z, Xu R, Yang X, Xiao G, Song Q, Tan Z, Deng Y.: Multifunctional thioxanthone derivatives with acetylcholinesterase, monoamine oxidases and β-amyloid aggregation inhibitory activities as potential agents against Alzheimer's disease. Bioorg Med Chem, Volume 25 (6), 2017";ChEMBL
MM474252;MM474252;CN1CCN(CCOC(=O)N(c2cccc(Br)c2)c2nc(SCCN3CCOCC3)nc3c2cnn3CC(Cl)c2ccccc2)CC1;;744.16;5.52;121316022;;;CHEMBL4087882;BBB;EPAM;25;0;"<a href=https://www.ebi.ac.uk/chembl/assay_report_card/CHEMBL4013499/  target=_blank>CHEMBL4013499</a>";;;;;;;;;-5.54;;;;;;;;;;;;"Vignaroli G, Iovenitti G, Zamperini C, Coniglio F, Calandro P, Molinari A, Fallacara AL, Sartucci A, Calgani A, Colecchia D, Mancini A, Festuccia C, Dreassi E, Valoti M, Musumeci F, Chiariello M, Angelucci A, Botta M, Schenone S.: Prodrugs of Pyrazolo[3,4-d]pyrimidines: From Library Synthesis to Evaluation as Potential Anticancer Agents in an Orthotopic Glioblastoma Model. J Med Chem, Volume 60 (14), 2017";ChEMBL
MM474255;MM474255;CSc1nc(N(C(=O)OCCN2CCN(C)CC2)c2cccc(Cl)c2)c2cnn(CC(Cl)c3ccccc3)c2n1;;600.58;5.7;121316023;;;CHEMBL4090317;BBB;EPAM;25;0;"<a href=https://www.ebi.ac.uk/chembl/assay_report_card/CHEMBL4013499/  target=_blank>CHEMBL4013499</a>";;;;;;;;;-5.38;;;;;;;;;;;;"Vignaroli G, Iovenitti G, Zamperini C, Coniglio F, Calandro P, Molinari A, Fallacara AL, Sartucci A, Calgani A, Colecchia D, Mancini A, Festuccia C, Dreassi E, Valoti M, Musumeci F, Chiariello M, Angelucci A, Botta M, Schenone S.: Prodrugs of Pyrazolo[3,4-d]pyrimidines: From Library Synthesis to Evaluation as Potential Anticancer Agents in an Orthotopic Glioblastoma Model. J Med Chem, Volume 60 (14), 2017";ChEMBL
MM474603;MM474603;O=C(O)CCn1c(=O)oc2cc(Cl)c(Cl)cc21;MIGAKMWKMLYGJX-UHFFFAOYSA-N;276.08;2.38;105539874;;;CHEMBL4092205;BBB;EPAM;25;0;"<a href=https://www.ebi.ac.uk/chembl/assay_report_card/CHEMBL4051435/  target=_blank>CHEMBL4051435</a>";;;;;;;;;-5.62;;;;;;;;;;;;"Walker AL, Ancellin N, Beaufils B, Bergeal M, Binnie M, Bouillot A, Clapham D, Denis A, Haslam CP, Holmes DS, Hutchinson JP, Liddle J, McBride A, Mirguet O, Mowat CG, Rowland P, Tiberghien N, Trottet L, Uings I, Webster SP, Zheng X, Mole DJ.: Development of a Series of Kynurenine 3-Monooxygenase Inhibitors Leading to a Clinical Candidate for the Treatment of Acute Pancreatitis. J Med Chem, Volume 60 (8), 2017";ChEMBL
MM473408;MM473408;CC(=O)c1ccc(OCCCN2CCN(Cc3ccccc3)CC2)cc1O;DMVXLCOFFLHXJS-UHFFFAOYSA-N;368.48;3.18;137656084;;;CHEMBL4093622;BBB;EPAM;25;0;"<a href=https://www.ebi.ac.uk/chembl/assay_report_card/CHEMBL4048115/  target=_blank>CHEMBL4048115</a>";;;;;;;;;-4.88;;;;;;;;;;;;"Sang Z, Wang K, Wang H, Wang H, Ma Q, Han X, Ye M, Yu L, Liu W.: Design, synthesis and biological evaluation of 2-acetyl-5-O-(amino-alkyl)phenol derivatives as multifunctional agents for the treatment of Alzheimer's disease. Bioorg Med Chem Lett, Volume 27 (22), 2017";ChEMBL
MM474250;MM474250;CN1CCN(CCOC(=O)N(Cc2ccccc2Cl)c2ncnc3c2cnn3CC(Cl)c2ccc(Br)cc2)CC1;;647.41;5.61;121316101;;;CHEMBL4095582;BBB;EPAM;25;0;"<a href=https://www.ebi.ac.uk/chembl/assay_report_card/CHEMBL4013499/  target=_blank>CHEMBL4013499</a>";;;;;;;;;-5.72;;;;;;;;;;;;"Vignaroli G, Iovenitti G, Zamperini C, Coniglio F, Calandro P, Molinari A, Fallacara AL, Sartucci A, Calgani A, Colecchia D, Mancini A, Festuccia C, Dreassi E, Valoti M, Musumeci F, Chiariello M, Angelucci A, Botta M, Schenone S.: Prodrugs of Pyrazolo[3,4-d]pyrimidines: From Library Synthesis to Evaluation as Potential Anticancer Agents in an Orthotopic Glioblastoma Model. J Med Chem, Volume 60 (14), 2017";ChEMBL
MM471708;MM471708;COc1cccc(C2c3ccc4cccnc4c3Oc3nc4c(c(N)c32)CCCC4)c1;VQICOKOVXNVBBA-UHFFFAOYSA-N;409.49;5.39;;;;;BBB;EPAM;25;0;"ph = 7.4, <a href=https://www.ebi.ac.uk/chembl/assay_report_card/CHEMBL4003227/  target=_blank>CHEMBL4003227</a>";;;;;;;;;-5.27;;;;;;;;;;;;"Dgachi Y, Sokolov O, Luzet V, Godyń J, Panek D, Bonet A, Martin H, Iriepa I, Moraleda I, García-Iriepa C, Janockova J, Richert L, Soukup O, Malawska B, Chabchoub F, Marco-Contelles J, Ismaili L.: Tetrahydropyranodiquinolin-8-amines as new, non hepatotoxic, antioxidant, and acetylcholinesterase inhibitors for Alzheimer's disease therapy. Eur J Med Chem, Volume 126, 2017";ChEMBL
MM472772;MM472772;COc1cc(NC(=S)NCCCn2cncc2C)ccc1OCCCCc1ccnc(N)c1;MXAZSKBTKUGBLI-UHFFFAOYSA-N;468.63;3.96;92045043;;;CHEMBL4097599;BBB;EPAM;25;0;"<a href=https://www.ebi.ac.uk/chembl/assay_report_card/CHEMBL4009734/  target=_blank>CHEMBL4009734</a>";;;;;;;;;-4.5;;;;;;;;;;;;"Hoang VH, Tran PT, Cui M, Ngo VT, Ann J, Park J, Lee J, Choi K, Cho H, Kim H, Ha HJ, Hong HS, Choi S, Kim YH, Lee J.: Discovery of Potent Human Glutaminyl Cyclase Inhibitors as Anti-Alzheimer's Agents Based on Rational Design. J Med Chem, Volume 60 (6), 2017";ChEMBL
MM474253;MM474253;CSc1nc(N(CCc2ccccc2)C(=O)OCCN2CCN(C)CC2)c2cnn(CC(Cl)c3ccccc3)c2n1;;594.19;4.96;121316091;;;CHEMBL4098025;BBB;EPAM;25;0;"<a href=https://www.ebi.ac.uk/chembl/assay_report_card/CHEMBL4013499/  target=_blank>CHEMBL4013499</a>";;;;;;;;;-8;;;;;;;;;;;;"Vignaroli G, Iovenitti G, Zamperini C, Coniglio F, Calandro P, Molinari A, Fallacara AL, Sartucci A, Calgani A, Colecchia D, Mancini A, Festuccia C, Dreassi E, Valoti M, Musumeci F, Chiariello M, Angelucci A, Botta M, Schenone S.: Prodrugs of Pyrazolo[3,4-d]pyrimidines: From Library Synthesis to Evaluation as Potential Anticancer Agents in an Orthotopic Glioblastoma Model. J Med Chem, Volume 60 (14), 2017";ChEMBL
MM471712;MM471712;COc1ccc2c(c1)CC(CC1C=CN(Cc3ccccc3C)C=C1C(C)=O)C2=O;DNSZEYFLEJCSEL-UHFFFAOYSA-N;401.51;4.87;118557966;;;CHEMBL4099794;BBB;EPAM;25;0;"ph = 7.4, <a href=https://www.ebi.ac.uk/chembl/assay_report_card/CHEMBL4013237/  target=_blank>CHEMBL4013237</a>";;;;;;;;;-4.83;;;;;;;;;;;;"Peauger L, Azzouz R, Gembus V, Ţînţaş ML, Sopková-de Oliveira Santos J, Bohn P, Papamicaël C, Levacher V.: Donepezil-Based Central Acetylcholinesterase Inhibitors by Means of a ""Bio-Oxidizable"" Prodrug Strategy: Design, Synthesis, and in Vitro Biological Evaluation. J Med Chem, Volume 60 (13), 2017";ChEMBL
MM473364;MM473364;COc1cc2c(cc1OC)C(=O)/C(=C/c1ccc(CN3CCCCC3)c(O)c1)O2;GUEFWBGMYQHYFE-JJFYIABZSA-N;395.46;4.01;;;;;BBB;EPAM;25;0;"<a href=https://www.ebi.ac.uk/chembl/assay_report_card/CHEMBL4003401/  target=_blank>CHEMBL4003401</a>";;;;;;;;;-4.87;;;;;;;;;;;;"Li Y, Qiang X, Luo L, Yang X, Xiao G, Liu Q, Ai J, Tan Z, Deng Y.: Aurone Mannich base derivatives as promising multifunctional agents with acetylcholinesterase inhibition, anti-β-amyloid aggragation and neuroprotective properties for the treatment of Alzheimer's disease. Eur J Med Chem, Volume 126, 2017";ChEMBL
MM471710;MM471710;O=C(NCCN1CCNCC1)Nc1ncccc1OCc1ccccc1;PEZDASZYCADKJP-UHFFFAOYSA-N;355.44;1.69;;;;;BBB;EPAM;25;0;"ph = 7.4, <a href=https://www.ebi.ac.uk/chembl/assay_report_card/CHEMBL4005804/  target=_blank>CHEMBL4005804</a>";;;;;;;;;-4.69;;;;;;;;;;;;"Elkamhawy A, Park JE, Hassan AHE, Ra H, Pae AN, Lee J, Park BG, Moon B, Park HM, Roh EJ.: Discovery of 1-(3-(benzyloxy)pyridin-2-yl)-3-(2-(piperazin-1-yl)ethyl)urea: A new modulator for amyloid beta-induced mitochondrial dysfunction. Eur J Med Chem, Volume 128, 2017";ChEMBL
MM471713;MM471713;COc1cc2c(cc1OC)C(=O)C(CC1C=CN(Cc3cccc(Cl)c3)C=C1C(N)=O)C2;JEGKSGQGZBQTIZ-UHFFFAOYSA-N;452.94;4.12;137659864;;;CHEMBL4101303;BBB;EPAM;25;0;"ph = 7.4, <a href=https://www.ebi.ac.uk/chembl/assay_report_card/CHEMBL4013237/  target=_blank>CHEMBL4013237</a>";;;;;;;;;-4.59;;;;;;;;;;;;"Peauger L, Azzouz R, Gembus V, Ţînţaş ML, Sopková-de Oliveira Santos J, Bohn P, Papamicaël C, Levacher V.: Donepezil-Based Central Acetylcholinesterase Inhibitors by Means of a ""Bio-Oxidizable"" Prodrug Strategy: Design, Synthesis, and in Vitro Biological Evaluation. J Med Chem, Volume 60 (13), 2017";ChEMBL
MM474244;MM474244;CCN(CCCCCCOc1cc(O)c2c(=O)c3ccccc3sc2c1)Cc1ccccc1N(C)C;PCWGFTJRFDORDP-UHFFFAOYSA-N;504.7;6.65;132961376;;;CHEMBL4102209;BBB;EPAM;25;0;"<a href=https://www.ebi.ac.uk/chembl/assay_report_card/CHEMBL3994367/  target=_blank>CHEMBL3994367</a>";;;;;;;;;-5.46;;;;;;;;;;;;"Luo L, Li Y, Qiang X, Cao Z, Xu R, Yang X, Xiao G, Song Q, Tan Z, Deng Y.: Multifunctional thioxanthone derivatives with acetylcholinesterase, monoamine oxidases and β-amyloid aggregation inhibitory activities as potential agents against Alzheimer's disease. Bioorg Med Chem, Volume 25 (6), 2017";ChEMBL
MM473915;MM473915;ClC(Cn1ncc2c(NCc3ccccc3)ncnc21)c1ccccc1;;363.85;4.42;11222252;;;CHEMBL411043;BBB;EPAM;25;0;"<a href=https://www.ebi.ac.uk/chembl/assay_report_card/CHEMBL4013499/  target=_blank>CHEMBL4013499</a>";;;;;;;;;-4.78;;;;;;;;;;;;"Vignaroli G, Iovenitti G, Zamperini C, Coniglio F, Calandro P, Molinari A, Fallacara AL, Sartucci A, Calgani A, Colecchia D, Mancini A, Festuccia C, Dreassi E, Valoti M, Musumeci F, Chiariello M, Angelucci A, Botta M, Schenone S.: Prodrugs of Pyrazolo[3,4-d]pyrimidines: From Library Synthesis to Evaluation as Potential Anticancer Agents in an Orthotopic Glioblastoma Model. J Med Chem, Volume 60 (14), 2017";ChEMBL
MM473448;MM473448;N#Cc1ccc2[nH]cc(CCCN3CCN(c4cccc5nc6c(c(N)c45)CCCC6)CC3)c2c1;YYCCHHGOVWCLSK-UHFFFAOYSA-N;464.62;4.8;145962091;;;CHEMBL4125732;BBB;EPAM;25;0;"<a href=https://www.ebi.ac.uk/chembl/assay_report_card/CHEMBL4122692/  target=_blank>CHEMBL4122692</a>";;;;;;;;;-5.26;;;;;;;;;;;;"Liu W, Wang H, Li X, Xu Y, Zhang J, Wang W, Gong Q, Qiu X, Zhu J, Mao F, Zhang H, Li J.: Design, synthesis and evaluation of vilazodone-tacrine hybrids as multitarget-directed ligands against depression with cognitive impairment. Bioorg Med Chem, Volume 26 (12), 2018";ChEMBL
MM473436;MM473436;N#Cc1ccc2[nH]cc(CCCCN3CCN(c4cccc5c(N)c6c(nc45)CCCC6)CC3)c2c1;UWEDVKZCUZONLF-UHFFFAOYSA-N;478.64;5.19;145963146;;;CHEMBL4125762;BBB;EPAM;25;0;"<a href=https://www.ebi.ac.uk/chembl/assay_report_card/CHEMBL4122692/  target=_blank>CHEMBL4122692</a>";;;;;;;;;-5.35;;;;;;;;;;;;"Liu W, Wang H, Li X, Xu Y, Zhang J, Wang W, Gong Q, Qiu X, Zhu J, Mao F, Zhang H, Li J.: Design, synthesis and evaluation of vilazodone-tacrine hybrids as multitarget-directed ligands against depression with cognitive impairment. Bioorg Med Chem, Volume 26 (12), 2018";ChEMBL
MM473429;MM473429;Oc1ccc2[nH]c(-c3ccc4c(Cl)cc(Cl)c(O)c4n3)cc2c1;BUZJBPZCWKLESY-UHFFFAOYSA-N;345.19;5.1;145960371;;;CHEMBL4126151;BBB;EPAM;25;0;"<a href=https://www.ebi.ac.uk/chembl/assay_report_card/CHEMBL4121024/  target=_blank>CHEMBL4121024</a>";;;;;;;;;-4.99;;;;;;;;;;;;"Wang Z, Hu J, Yang X, Feng X, Li X, Huang L, Chan ASC.: Design, Synthesis, and Evaluation of Orally Bioavailable Quinoline-Indole Derivatives as Innovative Multitarget-Directed Ligands: Promotion of Cell Proliferation in the Adult Murine Hippocampus for the Treatment of Alzheimer's Disease. J Med Chem, Volume 61 (5), 2018";ChEMBL
MM473420;MM473420;Oc1cccc2ccc(-c3cc4cc(F)ccc4[nH]3)nc12;PZNPHZBHTRQTDN-UHFFFAOYSA-N;278.29;4.23;145960599;;;CHEMBL4126287;BBB;EPAM;25;0;"<a href=https://www.ebi.ac.uk/chembl/assay_report_card/CHEMBL4121024/  target=_blank>CHEMBL4121024</a>";;;;;;;;;-4.97;;;;;;;;;;;;"Wang Z, Hu J, Yang X, Feng X, Li X, Huang L, Chan ASC.: Design, Synthesis, and Evaluation of Orally Bioavailable Quinoline-Indole Derivatives as Innovative Multitarget-Directed Ligands: Promotion of Cell Proliferation in the Adult Murine Hippocampus for the Treatment of Alzheimer's Disease. J Med Chem, Volume 61 (5), 2018";ChEMBL
MM473430;MM473430;COc1cc2cc(-c3ccc4c(Cl)cc(Cl)c(O)c4n3)[nH]c2cc1OC;FAWMHFDOHNQPSH-UHFFFAOYSA-N;389.24;5.41;145961451;;;CHEMBL4126306;BBB;EPAM;25;0;"<a href=https://www.ebi.ac.uk/chembl/assay_report_card/CHEMBL4121024/  target=_blank>CHEMBL4121024</a>";;;;;;;;;-5.41;;;;;;;;;;;;"Wang Z, Hu J, Yang X, Feng X, Li X, Huang L, Chan ASC.: Design, Synthesis, and Evaluation of Orally Bioavailable Quinoline-Indole Derivatives as Innovative Multitarget-Directed Ligands: Promotion of Cell Proliferation in the Adult Murine Hippocampus for the Treatment of Alzheimer's Disease. J Med Chem, Volume 61 (5), 2018";ChEMBL
MM473440;MM473440;N#Cc1ccc2[nH]cc(C(=O)CCCN3CCN(c4cccc5c(N)c6c(nc45)CCCC6)CC3)c2c1;FJIUWEQDXUFHQP-UHFFFAOYSA-N;492.63;4.83;145961458;;;CHEMBL4126486;BBB;EPAM;25;0;"<a href=https://www.ebi.ac.uk/chembl/assay_report_card/CHEMBL4122692/  target=_blank>CHEMBL4122692</a>";;;;;;;;;-5.79;;;;;;;;;;;;"Liu W, Wang H, Li X, Xu Y, Zhang J, Wang W, Gong Q, Qiu X, Zhu J, Mao F, Zhang H, Li J.: Design, synthesis and evaluation of vilazodone-tacrine hybrids as multitarget-directed ligands against depression with cognitive impairment. Bioorg Med Chem, Volume 26 (12), 2018";ChEMBL
MM474292;MM474292;COc1cccc(-c2nc(SCC(=O)Nc3nc(-c4cccc(Br)c4)cs3)[nH]c(=O)c2C#N)c1;MLLMZZCJKVTZGE-UHFFFAOYSA-N;554.45;4.93;;;;;BBB;EPAM;25;0;"<a href=https://www.ebi.ac.uk/chembl/assay_report_card/CHEMBL4119593/  target=_blank>CHEMBL4119593</a>";;;;;;;;;-6.03;;;;;;;;;;;;"Yan G, Hao L, Niu Y, Huang W, Wang W, Xu F, Liang L, Wang C, Jin H, Xu P.: 2-Substituted-thio-N-(4-substituted-thiazol/1H-imidazol-2-yl)acetamides as BACE1 inhibitors: Synthesis, biological evaluation and docking studies. Eur J Med Chem, Volume 137, 2017";ChEMBL
MM473439;MM473439;N#Cc1ccc2[nH]cc(CCCCN3CCN(c4cccc5nc6c(c(N)c45)CCCC6)CC3)c2c1;LAMAZEAPYUFTOT-UHFFFAOYSA-N;478.64;5.19;145960843;;;CHEMBL4126644;BBB;EPAM;25;0;"<a href=https://www.ebi.ac.uk/chembl/assay_report_card/CHEMBL4122692/  target=_blank>CHEMBL4122692</a>";;;;;;;;;-5.29;;;;;;;;;;;;"Liu W, Wang H, Li X, Xu Y, Zhang J, Wang W, Gong Q, Qiu X, Zhu J, Mao F, Zhang H, Li J.: Design, synthesis and evaluation of vilazodone-tacrine hybrids as multitarget-directed ligands against depression with cognitive impairment. Bioorg Med Chem, Volume 26 (12), 2018";ChEMBL
MM474283;MM474283;COc1cccc(-c2nc(SC(C(N)=O)c3nc(-c4ccc([N+](=O)[O-])cc4)cs3)[nH]c(=O)c2C#N)c1;AXKUMVZYDHUJPW-UHFFFAOYSA-N;520.55;3.67;;;;;BBB;EPAM;25;+1,-1;"<a href=https://www.ebi.ac.uk/chembl/assay_report_card/CHEMBL4119593/  target=_blank>CHEMBL4119593</a>";;;;;;;;;-6.38;;;;;;;;;;;;"Yan G, Hao L, Niu Y, Huang W, Wang W, Xu F, Liang L, Wang C, Jin H, Xu P.: 2-Substituted-thio-N-(4-substituted-thiazol/1H-imidazol-2-yl)acetamides as BACE1 inhibitors: Synthesis, biological evaluation and docking studies. Eur J Med Chem, Volume 137, 2017";ChEMBL
MM473453;MM473453;Nc1c2c(nc3cccc(N4CCN(CCCCc5c[nH]c6ccccc56)CC4)c13)CCCC2;QJVGHNGLGSOMNC-UHFFFAOYSA-N;453.63;5.32;145952639;;;CHEMBL4126818;BBB;EPAM;25;0;"<a href=https://www.ebi.ac.uk/chembl/assay_report_card/CHEMBL4122692/  target=_blank>CHEMBL4122692</a>";;;;;;;;;-5.45;;;;;;;;;;;;"Liu W, Wang H, Li X, Xu Y, Zhang J, Wang W, Gong Q, Qiu X, Zhu J, Mao F, Zhang H, Li J.: Design, synthesis and evaluation of vilazodone-tacrine hybrids as multitarget-directed ligands against depression with cognitive impairment. Bioorg Med Chem, Volume 26 (12), 2018";ChEMBL
MM473447;MM473447;N#Cc1ccc2[nH]cc(CCN3CCN(c4cccc5nc6c(c(N)c45)CCCC6)CC3)c2c1;KLYMURSGAZXARA-UHFFFAOYSA-N;450.59;4.41;145952866;;;CHEMBL4126912;BBB;EPAM;25;0;"<a href=https://www.ebi.ac.uk/chembl/assay_report_card/CHEMBL4122692/  target=_blank>CHEMBL4122692</a>";;;;;;;;;-5.35;;;;;;;;;;;;"Liu W, Wang H, Li X, Xu Y, Zhang J, Wang W, Gong Q, Qiu X, Zhu J, Mao F, Zhang H, Li J.: Design, synthesis and evaluation of vilazodone-tacrine hybrids as multitarget-directed ligands against depression with cognitive impairment. Bioorg Med Chem, Volume 26 (12), 2018";ChEMBL
MM473454;MM473454;COc1ccc2[nH]cc(CCCCN3CCN(c4cccc5nc6c(c(N)c45)CCCC6)CC3)c2c1;PLBJUXNUAHLGTD-UHFFFAOYSA-N;483.66;5.33;145962768;;;CHEMBL4126958;BBB;EPAM;25;0;"<a href=https://www.ebi.ac.uk/chembl/assay_report_card/CHEMBL4122692/  target=_blank>CHEMBL4122692</a>";;;;;;;;;-5.34;;;;;;;;;;;;"Liu W, Wang H, Li X, Xu Y, Zhang J, Wang W, Gong Q, Qiu X, Zhu J, Mao F, Zhang H, Li J.: Design, synthesis and evaluation of vilazodone-tacrine hybrids as multitarget-directed ligands against depression with cognitive impairment. Bioorg Med Chem, Volume 26 (12), 2018";ChEMBL
MM472802;MM472802;COc1ccc(NC(=S)NCCCn2cncc2C)cc1OCCN;LABZRNAZBRFANW-UHFFFAOYSA-N;363.49;1.91;145962559;;;CHEMBL4127037;BBB;EPAM;25;0;"<a href=https://www.ebi.ac.uk/chembl/assay_report_card/CHEMBL4122311/  target=_blank>CHEMBL4122311</a>";;;;;;;;;-5.7;;;;;;;;;;;;"Ngo VTH, Hoang VH, Tran PT, Van Manh N, Ann J, Kim E, Cui M, Choi S, Lee J, Kim H, Ha HJ, Choi K, Kim YH, Lee J.: Structure-activity relationship investigation of Phe-Arg mimetic region of human glutaminyl cyclase inhibitors. Bioorg Med Chem, Volume 26 (12), 2018";ChEMBL
MM474295;MM474295;CCOc1cccc(-c2nc(SC(C(N)=O)c3nc(-c4ccccc4)c[nH]3)[nH]c(=O)c2C#N)c1;CUMQBYMMIVMGLK-UHFFFAOYSA-N;472.53;3.42;;;;;BBB;EPAM;25;0;"<a href=https://www.ebi.ac.uk/chembl/assay_report_card/CHEMBL4119593/  target=_blank>CHEMBL4119593</a>";;;;;;;;;-5.15;;;;;;;;;;;;"Yan G, Hao L, Niu Y, Huang W, Wang W, Xu F, Liang L, Wang C, Jin H, Xu P.: 2-Substituted-thio-N-(4-substituted-thiazol/1H-imidazol-2-yl)acetamides as BACE1 inhibitors: Synthesis, biological evaluation and docking studies. Eur J Med Chem, Volume 137, 2017";ChEMBL
MM474285;MM474285;COc1cccc(-c2nc(SC(C(N)=O)c3nc(-c4cccc([N+](=O)[O-])c4)cs3)[nH]c(=O)c2C#N)c1;TYVOJIBSOUPZJX-UHFFFAOYSA-N;520.55;3.67;;;;;BBB;EPAM;25;+1,-1;"<a href=https://www.ebi.ac.uk/chembl/assay_report_card/CHEMBL4119593/  target=_blank>CHEMBL4119593</a>";;;;;;;;;-6.34;;;;;;;;;;;;"Yan G, Hao L, Niu Y, Huang W, Wang W, Xu F, Liang L, Wang C, Jin H, Xu P.: 2-Substituted-thio-N-(4-substituted-thiazol/1H-imidazol-2-yl)acetamides as BACE1 inhibitors: Synthesis, biological evaluation and docking studies. Eur J Med Chem, Volume 137, 2017";ChEMBL
MM473434;MM473434;Oc1ccc2[nH]c(-c3ccc(O)c4ncccc34)cc2c1;XHKFOXANHYINGL-UHFFFAOYSA-N;276.3;3.79;145963007;;;CHEMBL4127320;BBB;EPAM;25;0;"<a href=https://www.ebi.ac.uk/chembl/assay_report_card/CHEMBL4121024/  target=_blank>CHEMBL4121024</a>";;;;;;;;;-5.04;;;;;;;;;;;;"Wang Z, Hu J, Yang X, Feng X, Li X, Huang L, Chan ASC.: Design, Synthesis, and Evaluation of Orally Bioavailable Quinoline-Indole Derivatives as Innovative Multitarget-Directed Ligands: Promotion of Cell Proliferation in the Adult Murine Hippocampus for the Treatment of Alzheimer's Disease. J Med Chem, Volume 61 (5), 2018";ChEMBL
MM473427;MM473427;Oc1c(Cl)cc(Cl)c2ccc(-c3cc4cc(F)ccc4[nH]3)nc12;GSKDEMARVBJVNU-UHFFFAOYSA-N;347.18;5.53;145961934;;;CHEMBL4127387;BBB;EPAM;25;0;"<a href=https://www.ebi.ac.uk/chembl/assay_report_card/CHEMBL4121024/  target=_blank>CHEMBL4121024</a>";;;;;;;;;-5.28;;;;;;;;;;;;"Wang Z, Hu J, Yang X, Feng X, Li X, Huang L, Chan ASC.: Design, Synthesis, and Evaluation of Orally Bioavailable Quinoline-Indole Derivatives as Innovative Multitarget-Directed Ligands: Promotion of Cell Proliferation in the Adult Murine Hippocampus for the Treatment of Alzheimer's Disease. J Med Chem, Volume 61 (5), 2018";ChEMBL
MM474290;MM474290;N#Cc1c(-c2cccc(C(F)(F)F)c2)nc(SCC(=O)Nc2nc(-c3cc(Cl)c(N)c(Cl)c3)cs2)[nH]c1=O;XYEUYJBZFFRPIN-UHFFFAOYSA-N;597.43;6.07;;;;;BBB;EPAM;25;0;"<a href=https://www.ebi.ac.uk/chembl/assay_report_card/CHEMBL4119593/  target=_blank>CHEMBL4119593</a>";;;;;;;;;-6.06;;;;;;;;;;;;"Yan G, Hao L, Niu Y, Huang W, Wang W, Xu F, Liang L, Wang C, Jin H, Xu P.: 2-Substituted-thio-N-(4-substituted-thiazol/1H-imidazol-2-yl)acetamides as BACE1 inhibitors: Synthesis, biological evaluation and docking studies. Eur J Med Chem, Volume 137, 2017";ChEMBL
MM473442;MM473442;N#Cc1ccc2[nH]cc(C(=O)CCCN3CCN(c4ccc5nc6c(c(N)c5c4)CCCC6)CC3)c2c1;DVSJIESAFIHOIG-UHFFFAOYSA-N;492.63;4.83;145960879;;;CHEMBL4127445;BBB;EPAM;25;0;"<a href=https://www.ebi.ac.uk/chembl/assay_report_card/CHEMBL4122692/  target=_blank>CHEMBL4122692</a>";;;;;;;;;-5.98;;;;;;;;;;;;"Liu W, Wang H, Li X, Xu Y, Zhang J, Wang W, Gong Q, Qiu X, Zhu J, Mao F, Zhang H, Li J.: Design, synthesis and evaluation of vilazodone-tacrine hybrids as multitarget-directed ligands against depression with cognitive impairment. Bioorg Med Chem, Volume 26 (12), 2018";ChEMBL
MM474288;MM474288;CCOc1cccc(-c2nc(SCC(=O)Nc3nc(-c4cc(Cl)c(N)c(Cl)c4)cs3)[nH]c(=O)c2C#N)c1;RIMCGTVMTSKNSJ-UHFFFAOYSA-N;573.49;5.45;;;;;BBB;EPAM;25;0;"<a href=https://www.ebi.ac.uk/chembl/assay_report_card/CHEMBL4119593/  target=_blank>CHEMBL4119593</a>";;;;;;;;;-7.15;;;;;;;;;;;;"Yan G, Hao L, Niu Y, Huang W, Wang W, Xu F, Liang L, Wang C, Jin H, Xu P.: 2-Substituted-thio-N-(4-substituted-thiazol/1H-imidazol-2-yl)acetamides as BACE1 inhibitors: Synthesis, biological evaluation and docking studies. Eur J Med Chem, Volume 137, 2017";ChEMBL
MM473428;MM473428;Oc1c(Cl)cc(Cl)c2ccc(-c3cc4cc(Cl)ccc4[nH]3)nc12;YYLOTRPETJQHRT-UHFFFAOYSA-N;363.63;6.05;145960435;;;CHEMBL4127527;BBB;EPAM;25;0;"<a href=https://www.ebi.ac.uk/chembl/assay_report_card/CHEMBL4121024/  target=_blank>CHEMBL4121024</a>";;;;;;;;;-5.25;;;;;;;;;;;;"Wang Z, Hu J, Yang X, Feng X, Li X, Huang L, Chan ASC.: Design, Synthesis, and Evaluation of Orally Bioavailable Quinoline-Indole Derivatives as Innovative Multitarget-Directed Ligands: Promotion of Cell Proliferation in the Adult Murine Hippocampus for the Treatment of Alzheimer's Disease. J Med Chem, Volume 61 (5), 2018";ChEMBL
MM474291;MM474291;N#Cc1c(-c2cccc(OC(F)(F)F)c2)nc(SC(C(N)=O)c2nc(-c3ccccc3)cs2)[nH]c1=O;RSEMEVAKLMUFHR-UHFFFAOYSA-N;529.53;4.65;;;;;BBB;EPAM;25;0;"<a href=https://www.ebi.ac.uk/chembl/assay_report_card/CHEMBL4119593/  target=_blank>CHEMBL4119593</a>";;;;;;;;;-5.49;;;;;;;;;;;;"Yan G, Hao L, Niu Y, Huang W, Wang W, Xu F, Liang L, Wang C, Jin H, Xu P.: 2-Substituted-thio-N-(4-substituted-thiazol/1H-imidazol-2-yl)acetamides as BACE1 inhibitors: Synthesis, biological evaluation and docking studies. Eur J Med Chem, Volume 137, 2017";ChEMBL
MM473421;MM473421;Oc1cccc2ccc(-c3cc4cc(Cl)ccc4[nH]3)nc12;BSGSQCCXWYTBBJ-UHFFFAOYSA-N;294.74;4.74;145961946;;;CHEMBL4127662;BBB;EPAM;25;0;"<a href=https://www.ebi.ac.uk/chembl/assay_report_card/CHEMBL4121024/  target=_blank>CHEMBL4121024</a>";;;;;;;;;-5.01;;;;;;;;;;;;"Wang Z, Hu J, Yang X, Feng X, Li X, Huang L, Chan ASC.: Design, Synthesis, and Evaluation of Orally Bioavailable Quinoline-Indole Derivatives as Innovative Multitarget-Directed Ligands: Promotion of Cell Proliferation in the Adult Murine Hippocampus for the Treatment of Alzheimer's Disease. J Med Chem, Volume 61 (5), 2018";ChEMBL
MM474294;MM474294;COc1cccc(-c2nc(SC(C(N)=O)c3nc(-c4ccccc4)c[nH]3)[nH]c(=O)c2C#N)c1;NXJIMQSWXIKUCS-UHFFFAOYSA-N;458.5;3.03;;;;;BBB;EPAM;25;0;"<a href=https://www.ebi.ac.uk/chembl/assay_report_card/CHEMBL4119593/  target=_blank>CHEMBL4119593</a>";;;;;;;;;-5.55;;;;;;;;;;;;"Yan G, Hao L, Niu Y, Huang W, Wang W, Xu F, Liang L, Wang C, Jin H, Xu P.: 2-Substituted-thio-N-(4-substituted-thiazol/1H-imidazol-2-yl)acetamides as BACE1 inhibitors: Synthesis, biological evaluation and docking studies. Eur J Med Chem, Volume 137, 2017";ChEMBL
MM472795;MM472795;Cc1cncn1CCCNC(=S)Nc1ccc(C=CC(=O)N2CCN(CCN)CC2)cc1;QYXRXTFVXOBQAQ-VMPITWQZSA-N;455.63;1.68;145962379;;;CHEMBL4127764;BBB;EPAM;25;0;"<a href=https://www.ebi.ac.uk/chembl/assay_report_card/CHEMBL4122311/  target=_blank>CHEMBL4122311</a>";;;;;;;;;-9;;;;;;;;;;;;"Ngo VTH, Hoang VH, Tran PT, Van Manh N, Ann J, Kim E, Cui M, Choi S, Lee J, Kim H, Ha HJ, Choi K, Kim YH, Lee J.: Structure-activity relationship investigation of Phe-Arg mimetic region of human glutaminyl cyclase inhibitors. Bioorg Med Chem, Volume 26 (12), 2018";ChEMBL
MM473451;MM473451;Nc1c2c(nc3cccc(N4CCN(CCCCc5c[nH]c6ccc(Cl)cc56)CC4)c13)CCCC2;HZBICZZSJMLONN-UHFFFAOYSA-N;488.08;5.98;145962581;;;CHEMBL4127774;BBB;EPAM;25;0;"<a href=https://www.ebi.ac.uk/chembl/assay_report_card/CHEMBL4122692/  target=_blank>CHEMBL4122692</a>";;;;;;;;;-5.56;;;;;;;;;;;;"Liu W, Wang H, Li X, Xu Y, Zhang J, Wang W, Gong Q, Qiu X, Zhu J, Mao F, Zhang H, Li J.: Design, synthesis and evaluation of vilazodone-tacrine hybrids as multitarget-directed ligands against depression with cognitive impairment. Bioorg Med Chem, Volume 26 (12), 2018";ChEMBL
MM473441;MM473441;N#Cc1ccc2[nH]cc(C(=O)CCCN3CCN(c4ccc5c(N)c6c(nc5c4)CCCC6)CC3)c2c1;VSOMMGVYTLABPP-UHFFFAOYSA-N;492.63;4.83;145963420;;;CHEMBL4127877;BBB;EPAM;25;0;"<a href=https://www.ebi.ac.uk/chembl/assay_report_card/CHEMBL4122692/  target=_blank>CHEMBL4122692</a>";;;;;;;;;-5.77;;;;;;;;;;;;"Liu W, Wang H, Li X, Xu Y, Zhang J, Wang W, Gong Q, Qiu X, Zhu J, Mao F, Zhang H, Li J.: Design, synthesis and evaluation of vilazodone-tacrine hybrids as multitarget-directed ligands against depression with cognitive impairment. Bioorg Med Chem, Volume 26 (12), 2018";ChEMBL
MM474284;MM474284;COc1ccccc1-c1nc(SC(C(N)=O)c2nc(-c3cccc([N+](=O)[O-])c3)cs2)[nH]c(=O)c1C#N;IAPXUEFUMWXOGE-UHFFFAOYSA-N;520.55;3.67;;;;;BBB;EPAM;25;+1,-1;"<a href=https://www.ebi.ac.uk/chembl/assay_report_card/CHEMBL4119593/  target=_blank>CHEMBL4119593</a>";;;;;;;;;-5.51;;;;;;;;;;;;"Yan G, Hao L, Niu Y, Huang W, Wang W, Xu F, Liang L, Wang C, Jin H, Xu P.: 2-Substituted-thio-N-(4-substituted-thiazol/1H-imidazol-2-yl)acetamides as BACE1 inhibitors: Synthesis, biological evaluation and docking studies. Eur J Med Chem, Volume 137, 2017";ChEMBL
MM473452;MM473452;Nc1c2c(nc3cccc(N4CCN(CCCCc5c[nH]c6ccc(Br)cc56)CC4)c13)CCCC2;CWWVKFWPXXEKPV-UHFFFAOYSA-N;532.53;6.08;145961968;;;CHEMBL4128200;BBB;EPAM;25;0;"<a href=https://www.ebi.ac.uk/chembl/assay_report_card/CHEMBL4122692/  target=_blank>CHEMBL4122692</a>";;;;;;;;;-5.52;;;;;;;;;;;;"Liu W, Wang H, Li X, Xu Y, Zhang J, Wang W, Gong Q, Qiu X, Zhu J, Mao F, Zhang H, Li J.: Design, synthesis and evaluation of vilazodone-tacrine hybrids as multitarget-directed ligands against depression with cognitive impairment. Bioorg Med Chem, Volume 26 (12), 2018";ChEMBL
MM473433;MM473433;Oc1ccc(-c2cc3ccccc3[nH]2)c2cccnc12;JSVZIJJFLYAIKD-UHFFFAOYSA-N;260.3;4.09;145960912;;;CHEMBL4128354;BBB;EPAM;25;0;"<a href=https://www.ebi.ac.uk/chembl/assay_report_card/CHEMBL4121024/  target=_blank>CHEMBL4121024</a>";;;;;;;;;-4.89;;;;;;;;;;;;"Wang Z, Hu J, Yang X, Feng X, Li X, Huang L, Chan ASC.: Design, Synthesis, and Evaluation of Orally Bioavailable Quinoline-Indole Derivatives as Innovative Multitarget-Directed Ligands: Promotion of Cell Proliferation in the Adult Murine Hippocampus for the Treatment of Alzheimer's Disease. J Med Chem, Volume 61 (5), 2018";ChEMBL
MM474296;MM474296;COc1cccc(-c2nc(SCC(=O)Nc3nc(-c4cc(Cl)c(N)c(Cl)c4)c[nH]3)[nH]c(=O)c2C#N)c1;WHILOTGURJHMPD-UHFFFAOYSA-N;542.41;4.33;;;;;BBB;EPAM;25;0;"<a href=https://www.ebi.ac.uk/chembl/assay_report_card/CHEMBL4119593/  target=_blank>CHEMBL4119593</a>";;;;;;;;;-6.47;;;;;;;;;;;;"Yan G, Hao L, Niu Y, Huang W, Wang W, Xu F, Liang L, Wang C, Jin H, Xu P.: 2-Substituted-thio-N-(4-substituted-thiazol/1H-imidazol-2-yl)acetamides as BACE1 inhibitors: Synthesis, biological evaluation and docking studies. Eur J Med Chem, Volume 137, 2017";ChEMBL
MM472800;MM472800;COc1ccc(NC(=S)NCCCn2cncc2C)cc1OCCCCN;AGSXIKYOBJBOSE-UHFFFAOYSA-N;391.54;2.69;145963052;;;CHEMBL4128529;BBB;EPAM;25;0;"<a href=https://www.ebi.ac.uk/chembl/assay_report_card/CHEMBL4122311/  target=_blank>CHEMBL4122311</a>";;;;;;;;;-5.9;;;;;;;;;;;;"Ngo VTH, Hoang VH, Tran PT, Van Manh N, Ann J, Kim E, Cui M, Choi S, Lee J, Kim H, Ha HJ, Choi K, Kim YH, Lee J.: Structure-activity relationship investigation of Phe-Arg mimetic region of human glutaminyl cyclase inhibitors. Bioorg Med Chem, Volume 26 (12), 2018";ChEMBL
MM474287;MM474287;COc1cccc(-c2nc(SCC(=O)Nc3nc(-c4cc(Cl)c(N)c(Cl)c4)cs3)[nH]c(=O)c2C#N)c1;YHNGFDKAUKAQMK-UHFFFAOYSA-N;559.46;5.06;;;;;BBB;EPAM;25;0;"<a href=https://www.ebi.ac.uk/chembl/assay_report_card/CHEMBL4119593/  target=_blank>CHEMBL4119593</a>";;;;;;;;;-6.96;;;;;;;;;;;;"Yan G, Hao L, Niu Y, Huang W, Wang W, Xu F, Liang L, Wang C, Jin H, Xu P.: 2-Substituted-thio-N-(4-substituted-thiazol/1H-imidazol-2-yl)acetamides as BACE1 inhibitors: Synthesis, biological evaluation and docking studies. Eur J Med Chem, Volume 137, 2017";ChEMBL
MM473425;MM473425;Oc1cccc2ccc(-c3cc4ccc5c(c4[nH]3)OCO5)nc12;MWGZTLOGJNJEQN-UHFFFAOYSA-N;304.31;3.82;145962431;;;CHEMBL4128631;BBB;EPAM;25;0;"<a href=https://www.ebi.ac.uk/chembl/assay_report_card/CHEMBL4121024/  target=_blank>CHEMBL4121024</a>";;;;;;;;;-5.23;;;;;;;;;;;;"Wang Z, Hu J, Yang X, Feng X, Li X, Huang L, Chan ASC.: Design, Synthesis, and Evaluation of Orally Bioavailable Quinoline-Indole Derivatives as Innovative Multitarget-Directed Ligands: Promotion of Cell Proliferation in the Adult Murine Hippocampus for the Treatment of Alzheimer's Disease. J Med Chem, Volume 61 (5), 2018";ChEMBL
MM473444;MM473444;N#Cc1ccc2[nH]cc(CCCCN3CCN(c4cccc5nc6c(c(N)c45)CCC6)CC3)c2c1;CCBFOQGVIFFPHI-UHFFFAOYSA-N;464.62;4.8;145961773;;;CHEMBL4128689;BBB;EPAM;25;0;"<a href=https://www.ebi.ac.uk/chembl/assay_report_card/CHEMBL4122692/  target=_blank>CHEMBL4122692</a>";;;;;;;;;-5.36;;;;;;;;;;;;"Liu W, Wang H, Li X, Xu Y, Zhang J, Wang W, Gong Q, Qiu X, Zhu J, Mao F, Zhang H, Li J.: Design, synthesis and evaluation of vilazodone-tacrine hybrids as multitarget-directed ligands against depression with cognitive impairment. Bioorg Med Chem, Volume 26 (12), 2018";ChEMBL
MM473435;MM473435;Oc1ccc2[nH]c(-c3cc(Cl)c(O)c4ncccc34)cc2c1;SSGINBSHIQWPLB-UHFFFAOYSA-N;310.74;4.45;145962618;;;CHEMBL4128709;BBB;EPAM;25;0;"<a href=https://www.ebi.ac.uk/chembl/assay_report_card/CHEMBL4121024/  target=_blank>CHEMBL4121024</a>";;;;;;;;;-5.17;;;;;;;;;;;;"Wang Z, Hu J, Yang X, Feng X, Li X, Huang L, Chan ASC.: Design, Synthesis, and Evaluation of Orally Bioavailable Quinoline-Indole Derivatives as Innovative Multitarget-Directed Ligands: Promotion of Cell Proliferation in the Adult Murine Hippocampus for the Treatment of Alzheimer's Disease. J Med Chem, Volume 61 (5), 2018";ChEMBL
MM474286;MM474286;CCOc1cccc(-c2nc(SC(C(N)=O)c3nc(-c4ccc([N+](=O)[O-])cc4)cs3)[nH]c(=O)c2C#N)c1;NVNIUTYVWHJVQJ-UHFFFAOYSA-N;534.58;4.06;;;;;BBB;EPAM;25;+1,-1;"<a href=https://www.ebi.ac.uk/chembl/assay_report_card/CHEMBL4119593/  target=_blank>CHEMBL4119593</a>";;;;;;;;;-6.14;;;;;;;;;;;;"Yan G, Hao L, Niu Y, Huang W, Wang W, Xu F, Liang L, Wang C, Jin H, Xu P.: 2-Substituted-thio-N-(4-substituted-thiazol/1H-imidazol-2-yl)acetamides as BACE1 inhibitors: Synthesis, biological evaluation and docking studies. Eur J Med Chem, Volume 137, 2017";ChEMBL
MM473423;MM473423;COc1cc2cc(-c3ccc4cccc(O)c4n3)[nH]c2cc1OC;PZCAXXLGTOZJTM-UHFFFAOYSA-N;320.35;4.11;145961333;;;CHEMBL4128772;BBB;EPAM;25;0;"<a href=https://www.ebi.ac.uk/chembl/assay_report_card/CHEMBL4121024/  target=_blank>CHEMBL4121024</a>";;;;;;;;;-5.28;;;;;;;;;;;;"Wang Z, Hu J, Yang X, Feng X, Li X, Huang L, Chan ASC.: Design, Synthesis, and Evaluation of Orally Bioavailable Quinoline-Indole Derivatives as Innovative Multitarget-Directed Ligands: Promotion of Cell Proliferation in the Adult Murine Hippocampus for the Treatment of Alzheimer's Disease. J Med Chem, Volume 61 (5), 2018";ChEMBL
MM473426;MM473426;Oc1c(Cl)cc(Cl)c2ccc(-c3cc4ccccc4[nH]3)nc12;SNXJSBVFXOATAK-UHFFFAOYSA-N;329.19;5.4;145961775;;;CHEMBL4128779;BBB;EPAM;25;0;"<a href=https://www.ebi.ac.uk/chembl/assay_report_card/CHEMBL4121024/  target=_blank>CHEMBL4121024</a>";;;;;;;;;-5.18;;;;;;;;;;;;"Wang Z, Hu J, Yang X, Feng X, Li X, Huang L, Chan ASC.: Design, Synthesis, and Evaluation of Orally Bioavailable Quinoline-Indole Derivatives as Innovative Multitarget-Directed Ligands: Promotion of Cell Proliferation in the Adult Murine Hippocampus for the Treatment of Alzheimer's Disease. J Med Chem, Volume 61 (5), 2018";ChEMBL
MM472798;MM472798;COc1ccc(NC(=S)NCCCn2cncc2C)cc1OCCCC1CCNCC1;IDDHMCIGVNIEHD-UHFFFAOYSA-N;445.63;3.74;145962621;;;CHEMBL4128801;BBB;EPAM;25;0;"<a href=https://www.ebi.ac.uk/chembl/assay_report_card/CHEMBL4122311/  target=_blank>CHEMBL4122311</a>";;;;;;;;;-5;;;;;;;;;;;;"Ngo VTH, Hoang VH, Tran PT, Van Manh N, Ann J, Kim E, Cui M, Choi S, Lee J, Kim H, Ha HJ, Choi K, Kim YH, Lee J.: Structure-activity relationship investigation of Phe-Arg mimetic region of human glutaminyl cyclase inhibitors. Bioorg Med Chem, Volume 26 (12), 2018";ChEMBL
MM474289;MM474289;N#Cc1c(-c2cccc(C(F)(F)F)c2)nc(SC(C(N)=O)c2nc(-c3ccccc3)cs2)[nH]c1=O;CNHGBJBJMTXFDT-UHFFFAOYSA-N;513.53;4.77;;;;;BBB;EPAM;25;0;"<a href=https://www.ebi.ac.uk/chembl/assay_report_card/CHEMBL4119593/  target=_blank>CHEMBL4119593</a>";;;;;;;;;-5.34;;;;;;;;;;;;"Yan G, Hao L, Niu Y, Huang W, Wang W, Xu F, Liang L, Wang C, Jin H, Xu P.: 2-Substituted-thio-N-(4-substituted-thiazol/1H-imidazol-2-yl)acetamides as BACE1 inhibitors: Synthesis, biological evaluation and docking studies. Eur J Med Chem, Volume 137, 2017";ChEMBL
MM473443;MM473443;N#Cc1ccc2[nH]cc(C(=O)CCCN3CCN(c4cccc5nc6c(c(N)c45)CCCC6)CC3)c2c1;LEYMEDHZFBBEFS-UHFFFAOYSA-N;492.63;4.83;145960493;;;CHEMBL4128838;BBB;EPAM;25;0;"<a href=https://www.ebi.ac.uk/chembl/assay_report_card/CHEMBL4122692/  target=_blank>CHEMBL4122692</a>";;;;;;;;;-5.88;;;;;;;;;;;;"Liu W, Wang H, Li X, Xu Y, Zhang J, Wang W, Gong Q, Qiu X, Zhu J, Mao F, Zhang H, Li J.: Design, synthesis and evaluation of vilazodone-tacrine hybrids as multitarget-directed ligands against depression with cognitive impairment. Bioorg Med Chem, Volume 26 (12), 2018";ChEMBL
MM474281;MM474281;COc1cccc(-c2nc(SC(C(N)=O)c3nc(-c4ccccc4)cs3)[nH]c(=O)c2C#N)c1;XTJARMHLYHDUJP-UHFFFAOYSA-N;475.56;3.76;;;;;BBB;EPAM;25;0;"<a href=https://www.ebi.ac.uk/chembl/assay_report_card/CHEMBL4119593/  target=_blank>CHEMBL4119593</a>";;;;;;;;;-5.04;;;;;;;;;;;;"Yan G, Hao L, Niu Y, Huang W, Wang W, Xu F, Liang L, Wang C, Jin H, Xu P.: 2-Substituted-thio-N-(4-substituted-thiazol/1H-imidazol-2-yl)acetamides as BACE1 inhibitors: Synthesis, biological evaluation and docking studies. Eur J Med Chem, Volume 137, 2017";ChEMBL
MM473449;MM473449;COC(=O)c1ccc2[nH]cc(CCCCN3CCN(c4cccc5nc6c(c(N)c45)CCCC6)CC3)c2c1;UDFDEEOQQQUXBN-UHFFFAOYSA-N;511.67;5.11;145960719;;;CHEMBL4129019;BBB;EPAM;25;0;"<a href=https://www.ebi.ac.uk/chembl/assay_report_card/CHEMBL4122692/  target=_blank>CHEMBL4122692</a>";;;;;;;;;-5.21;;;;;;;;;;;;"Liu W, Wang H, Li X, Xu Y, Zhang J, Wang W, Gong Q, Qiu X, Zhu J, Mao F, Zhang H, Li J.: Design, synthesis and evaluation of vilazodone-tacrine hybrids as multitarget-directed ligands against depression with cognitive impairment. Bioorg Med Chem, Volume 26 (12), 2018";ChEMBL
MM473437;MM473437;N#Cc1ccc2[nH]cc(CCCCN3CCN(c4ccc5c(N)c6c(nc5c4)CCCC6)CC3)c2c1;HWDQXPMNXUIVDI-UHFFFAOYSA-N;478.64;5.19;145961788;;;CHEMBL4129051;BBB;EPAM;25;0;"<a href=https://www.ebi.ac.uk/chembl/assay_report_card/CHEMBL4122692/  target=_blank>CHEMBL4122692</a>";;;;;;;;;-5.52;;;;;;;;;;;;"Liu W, Wang H, Li X, Xu Y, Zhang J, Wang W, Gong Q, Qiu X, Zhu J, Mao F, Zhang H, Li J.: Design, synthesis and evaluation of vilazodone-tacrine hybrids as multitarget-directed ligands against depression with cognitive impairment. Bioorg Med Chem, Volume 26 (12), 2018";ChEMBL
MM473450;MM473450;Nc1c2c(nc3cccc(N4CCN(CCCCc5c[nH]c6ccc(F)cc56)CC4)c13)CCCC2;CTJRIZVMYPEJOU-UHFFFAOYSA-N;471.62;5.46;145963079;;;CHEMBL4129170;BBB;EPAM;25;0;"<a href=https://www.ebi.ac.uk/chembl/assay_report_card/CHEMBL4122692/  target=_blank>CHEMBL4122692</a>";;;;;;;;;-5.42;;;;;;;;;;;;"Liu W, Wang H, Li X, Xu Y, Zhang J, Wang W, Gong Q, Qiu X, Zhu J, Mao F, Zhang H, Li J.: Design, synthesis and evaluation of vilazodone-tacrine hybrids as multitarget-directed ligands against depression with cognitive impairment. Bioorg Med Chem, Volume 26 (12), 2018";ChEMBL
MM473419;MM473419;Oc1cccc2ccc(-c3cc4ccccc4[nH]3)nc12;IUVSGEGUDCONPJ-UHFFFAOYSA-N;260.3;4.09;145962652;;;CHEMBL4129430;BBB;EPAM;25;0;"<a href=https://www.ebi.ac.uk/chembl/assay_report_card/CHEMBL4121024/  target=_blank>CHEMBL4121024</a>";;;;;;;;;-5.1;;;;;;;;;;;;"Wang Z, Hu J, Yang X, Feng X, Li X, Huang L, Chan ASC.: Design, Synthesis, and Evaluation of Orally Bioavailable Quinoline-Indole Derivatives as Innovative Multitarget-Directed Ligands: Promotion of Cell Proliferation in the Adult Murine Hippocampus for the Treatment of Alzheimer's Disease. J Med Chem, Volume 61 (5), 2018";ChEMBL
MM473431;MM473431;COc1cc2[nH]c(-c3ccc4c(Cl)cc(Cl)c(O)c4n3)cc2cc1O;JSWLEPOVPJYPAQ-UHFFFAOYSA-N;375.21;5.11;145961586;;;CHEMBL4129594;BBB;EPAM;25;0;"<a href=https://www.ebi.ac.uk/chembl/assay_report_card/CHEMBL4121024/  target=_blank>CHEMBL4121024</a>";;;;;;;;;-5.08;;;;;;;;;;;;"Wang Z, Hu J, Yang X, Feng X, Li X, Huang L, Chan ASC.: Design, Synthesis, and Evaluation of Orally Bioavailable Quinoline-Indole Derivatives as Innovative Multitarget-Directed Ligands: Promotion of Cell Proliferation in the Adult Murine Hippocampus for the Treatment of Alzheimer's Disease. J Med Chem, Volume 61 (5), 2018";ChEMBL
MM473432;MM473432;Oc1c(Cl)cc(Cl)c2ccc(-c3cc4cc5c(cc4[nH]3)OCO5)nc12;NQMGMBSLQZPBRY-UHFFFAOYSA-N;373.2;5.12;145961246;;;CHEMBL4129735;BBB;EPAM;25;0;"<a href=https://www.ebi.ac.uk/chembl/assay_report_card/CHEMBL4121024/  target=_blank>CHEMBL4121024</a>";;;;;;;;;-5.31;;;;;;;;;;;;"Wang Z, Hu J, Yang X, Feng X, Li X, Huang L, Chan ASC.: Design, Synthesis, and Evaluation of Orally Bioavailable Quinoline-Indole Derivatives as Innovative Multitarget-Directed Ligands: Promotion of Cell Proliferation in the Adult Murine Hippocampus for the Treatment of Alzheimer's Disease. J Med Chem, Volume 61 (5), 2018";ChEMBL
MM473422;MM473422;Oc1ccc2[nH]c(-c3ccc4cccc(O)c4n3)cc2c1;OAOKWJCRUUFKBC-UHFFFAOYSA-N;276.3;3.79;145962890;;;CHEMBL4129804;BBB;EPAM;25;0;"<a href=https://www.ebi.ac.uk/chembl/assay_report_card/CHEMBL4121024/  target=_blank>CHEMBL4121024</a>";;;;;;;;;-4.83;;;;;;;;;;;;"Wang Z, Hu J, Yang X, Feng X, Li X, Huang L, Chan ASC.: Design, Synthesis, and Evaluation of Orally Bioavailable Quinoline-Indole Derivatives as Innovative Multitarget-Directed Ligands: Promotion of Cell Proliferation in the Adult Murine Hippocampus for the Treatment of Alzheimer's Disease. J Med Chem, Volume 61 (5), 2018";ChEMBL
MM474293;MM474293;COc1cccc(-c2nc(SC(C(N)=O)c3nc(-c4cccc(-c5cccnc5F)c4)cs3)[nH]c(=O)c2C#N)c1;SEURRLSXVNULSW-UHFFFAOYSA-N;570.63;4.96;;;;;BBB;EPAM;25;0;"<a href=https://www.ebi.ac.uk/chembl/assay_report_card/CHEMBL4119593/  target=_blank>CHEMBL4119593</a>";;;;;;;;;-7.4;;;;;;;;;;;;"Yan G, Hao L, Niu Y, Huang W, Wang W, Xu F, Liang L, Wang C, Jin H, Xu P.: 2-Substituted-thio-N-(4-substituted-thiazol/1H-imidazol-2-yl)acetamides as BACE1 inhibitors: Synthesis, biological evaluation and docking studies. Eur J Med Chem, Volume 137, 2017";ChEMBL
MM472801;MM472801;COc1ccc(NC(=S)NCCCn2cncc2C)cc1OCCCN;AEVBKHYZLRNEBV-UHFFFAOYSA-N;377.51;2.3;145963296;;;CHEMBL4129900;BBB;EPAM;25;0;"<a href=https://www.ebi.ac.uk/chembl/assay_report_card/CHEMBL4122311/  target=_blank>CHEMBL4122311</a>";;;;;;;;;-5.6;;;;;;;;;;;;"Ngo VTH, Hoang VH, Tran PT, Van Manh N, Ann J, Kim E, Cui M, Choi S, Lee J, Kim H, Ha HJ, Choi K, Kim YH, Lee J.: Structure-activity relationship investigation of Phe-Arg mimetic region of human glutaminyl cyclase inhibitors. Bioorg Med Chem, Volume 26 (12), 2018";ChEMBL
MM473438;MM473438;N#Cc1ccc2[nH]cc(CCCCN3CCN(c4ccc5nc6c(c(N)c5c4)CCCC6)CC3)c2c1;LKUAJBFIWYFDNP-UHFFFAOYSA-N;478.64;5.19;145963710;;;CHEMBL4129917;BBB;EPAM;25;0;"<a href=https://www.ebi.ac.uk/chembl/assay_report_card/CHEMBL4122692/  target=_blank>CHEMBL4122692</a>";;;;;;;;;-5.45;;;;;;;;;;;;"Liu W, Wang H, Li X, Xu Y, Zhang J, Wang W, Gong Q, Qiu X, Zhu J, Mao F, Zhang H, Li J.: Design, synthesis and evaluation of vilazodone-tacrine hybrids as multitarget-directed ligands against depression with cognitive impairment. Bioorg Med Chem, Volume 26 (12), 2018";ChEMBL
MM473424;MM473424;COc1cc2[nH]c(-c3ccc4cccc(O)c4n3)cc2cc1O;UYGZUJMGEGJKTB-UHFFFAOYSA-N;306.32;3.8;145963505;;;CHEMBL4129996;BBB;EPAM;25;0;"<a href=https://www.ebi.ac.uk/chembl/assay_report_card/CHEMBL4121024/  target=_blank>CHEMBL4121024</a>";;;;;;;;;-4.92;;;;;;;;;;;;"Wang Z, Hu J, Yang X, Feng X, Li X, Huang L, Chan ASC.: Design, Synthesis, and Evaluation of Orally Bioavailable Quinoline-Indole Derivatives as Innovative Multitarget-Directed Ligands: Promotion of Cell Proliferation in the Adult Murine Hippocampus for the Treatment of Alzheimer's Disease. J Med Chem, Volume 61 (5), 2018";ChEMBL
MM472797;MM472797;COc1ccc(NC(=S)NCCCn2cncc2C)cc1OCCCCC1CCNCC1;YGADFSWLKJGIKM-UHFFFAOYSA-N;459.66;4.13;145960977;;;CHEMBL4130012;BBB;EPAM;25;0;"<a href=https://www.ebi.ac.uk/chembl/assay_report_card/CHEMBL4122311/  target=_blank>CHEMBL4122311</a>";;;;;;;;;-5.7;;;;;;;;;;;;"Ngo VTH, Hoang VH, Tran PT, Van Manh N, Ann J, Kim E, Cui M, Choi S, Lee J, Kim H, Ha HJ, Choi K, Kim YH, Lee J.: Structure-activity relationship investigation of Phe-Arg mimetic region of human glutaminyl cyclase inhibitors. Bioorg Med Chem, Volume 26 (12), 2018";ChEMBL
MM474282;MM474282;COc1ccccc1-c1nc(SC(C(N)=O)c2nc(-c3ccc([N+](=O)[O-])cc3)cs2)[nH]c(=O)c1C#N;GEXDJUQAYSQHIB-UHFFFAOYSA-N;520.55;3.67;;;;;BBB;EPAM;25;+1,-1;"<a href=https://www.ebi.ac.uk/chembl/assay_report_card/CHEMBL4119593/  target=_blank>CHEMBL4119593</a>";;;;;;;;;-5.77;;;;;;;;;;;;"Yan G, Hao L, Niu Y, Huang W, Wang W, Xu F, Liang L, Wang C, Jin H, Xu P.: 2-Substituted-thio-N-(4-substituted-thiazol/1H-imidazol-2-yl)acetamides as BACE1 inhibitors: Synthesis, biological evaluation and docking studies. Eur J Med Chem, Volume 137, 2017";ChEMBL
MM473445;MM473445;N#Cc1ccc2[nH]cc(CCCCN3CCN(c4cccc5nc6c(c(N)c45)CCCCC6)CC3)c2c1;YOZKDYTZTOXPRA-UHFFFAOYSA-N;492.67;5.58;145962678;;;CHEMBL4130059;BBB;EPAM;25;0;"<a href=https://www.ebi.ac.uk/chembl/assay_report_card/CHEMBL4122692/  target=_blank>CHEMBL4122692</a>";;;;;;;;;-5.4;;;;;;;;;;;;"Liu W, Wang H, Li X, Xu Y, Zhang J, Wang W, Gong Q, Qiu X, Zhu J, Mao F, Zhang H, Li J.: Design, synthesis and evaluation of vilazodone-tacrine hybrids as multitarget-directed ligands against depression with cognitive impairment. Bioorg Med Chem, Volume 26 (12), 2018";ChEMBL
MM472799;MM472799;COc1ccc(NC(=S)NCCCn2cncc2C)cc1OCCC1CCNCC1;BVPYMBDFKWACIV-UHFFFAOYSA-N;431.61;3.35;145963306;;;CHEMBL4130158;BBB;EPAM;25;0;"<a href=https://www.ebi.ac.uk/chembl/assay_report_card/CHEMBL4122311/  target=_blank>CHEMBL4122311</a>";;;;;;;;;-5.3;;;;;;;;;;;;"Ngo VTH, Hoang VH, Tran PT, Van Manh N, Ann J, Kim E, Cui M, Choi S, Lee J, Kim H, Ha HJ, Choi K, Kim YH, Lee J.: Structure-activity relationship investigation of Phe-Arg mimetic region of human glutaminyl cyclase inhibitors. Bioorg Med Chem, Volume 26 (12), 2018";ChEMBL
MM473446;MM473446;CC(=O)Nc1c2c(nc3cccc(N4CCN(CCCCc5c[nH]c6ccc(C#N)cc56)CC4)c13)CCCC2;KZAZYFSRRHJPAS-UHFFFAOYSA-N;520.68;5.57;145960544;;;CHEMBL4130176;BBB;EPAM;25;0;"<a href=https://www.ebi.ac.uk/chembl/assay_report_card/CHEMBL4122692/  target=_blank>CHEMBL4122692</a>";;;;;;;;;-5.72;;;;;;;;;;;;"Liu W, Wang H, Li X, Xu Y, Zhang J, Wang W, Gong Q, Qiu X, Zhu J, Mao F, Zhang H, Li J.: Design, synthesis and evaluation of vilazodone-tacrine hybrids as multitarget-directed ligands against depression with cognitive impairment. Bioorg Med Chem, Volume 26 (12), 2018";ChEMBL
MM472796;MM472796;Cc1cncn1CCCNC(=S)Nc1ccc(OCC(=O)NC2CCN(CCN)CC2)cc1;QNNSRJUSOTYXFV-UHFFFAOYSA-N;473.65;1.49;145962056;;;CHEMBL4130218;BBB;EPAM;25;0;"<a href=https://www.ebi.ac.uk/chembl/assay_report_card/CHEMBL4122311/  target=_blank>CHEMBL4122311</a>";;;;;;;;;-10;;;;;;;;;;;;"Ngo VTH, Hoang VH, Tran PT, Van Manh N, Ann J, Kim E, Cui M, Choi S, Lee J, Kim H, Ha HJ, Choi K, Kim YH, Lee J.: Structure-activity relationship investigation of Phe-Arg mimetic region of human glutaminyl cyclase inhibitors. Bioorg Med Chem, Volume 26 (12), 2018";ChEMBL
MM473455;MM473455;Cc1ccc2[nH]cc(CCCCN3CCN(c4cccc5nc6c(c(N)c45)CCCC6)CC3)c2c1;QMHBAHUWFWDGDO-UHFFFAOYSA-N;467.66;5.63;145962474;;;CHEMBL4130230;BBB;EPAM;25;0;"<a href=https://www.ebi.ac.uk/chembl/assay_report_card/CHEMBL4122692/  target=_blank>CHEMBL4122692</a>";;;;;;;;;-5.44;;;;;;;;;;;;"Liu W, Wang H, Li X, Xu Y, Zhang J, Wang W, Gong Q, Qiu X, Zhu J, Mao F, Zhang H, Li J.: Design, synthesis and evaluation of vilazodone-tacrine hybrids as multitarget-directed ligands against depression with cognitive impairment. Bioorg Med Chem, Volume 26 (12), 2018";ChEMBL
MM472009;MM472009;Cc1c(C(=O)NC2CCN(C)CC2)oc2ccc(N(Cc3ccc(Br)cc3)S(=O)(=O)c3ccc(Br)cc3)cc12;SHUUTVAUPGSLJQ-UHFFFAOYSA-N;675.44;6.49;;;;;BBB;EPAM;25;0;"ph = 7.4, <a href=https://www.ebi.ac.uk/chembl/assay_report_card/CHEMBL4130770/  target=_blank>CHEMBL4130770</a>";;;;;;;;;-5.18;;;;;;;;;;;;"Xu XL, Yang YR, Mo XF, Wei JL, Zhang XJ, You QD.: Design, synthesis, and evaluation of benzofuran derivatives as novel anti-pancreatic carcinoma agents via interfering the hypoxia environment by targeting HIF-1α pathway. Eur J Med Chem, Volume 137, 2017";ChEMBL
MM473484;MM473484;CCN(C)C(=O)Oc1cccc(CNC(=O)c2cc(O)c(O)c(O)c2)c1;FCHJCSKWWCMXDH-UHFFFAOYSA-N;360.37;2.18;;;;;BBB;EPAM;25;0;"<a href=https://www.ebi.ac.uk/chembl/assay_report_card/CHEMBL4135322/  target=_blank>CHEMBL4135322</a>";;;;;;;;;-5.31;;;;;;;;;;;;"Nesi G, Chen Q, Sestito S, Digiacomo M, Yang X, Wang S, Pi R, Rapposelli S.: Nature-based molecules combined with rivastigmine: A symbiotic approach for the synthesis of new agents against Alzheimer's disease. Eur J Med Chem, Volume 141, 2017";ChEMBL
MM473480;MM473480;O=C(/C=C/c1ccc(O)c(O)c1)c1cccnc1;FGVWMVPACIUGMM-HWKANZROSA-N;241.25;2.39;;;;;BBB;EPAM;25;0;"<a href=https://www.ebi.ac.uk/chembl/assay_report_card/CHEMBL4132647/  target=_blank>CHEMBL4132647</a>";;;;;;;;;-5.26;;;;;;;;;;;;"De Simone A, Bartolini M, Baschieri A, Apperley KYP, Chen HH, Guardigni M, Montanari S, Kobrlova T, Soukup O, Valgimigli L, Andrisano V, Keillor JW, Basso M, Milelli A.: Hydroxy-substituted trans-cinnamoyl derivatives as multifunctional tools in the context of Alzheimer's disease. Eur J Med Chem, Volume 139, 2017";ChEMBL
MM473488;MM473488;CCN(C)C(=O)Oc1cccc(CCNC(=O)CCCCC2CCSS2)c1;AQVRXHXIMMRAKE-UHFFFAOYSA-N;410.61;4.51;;;;;BBB;EPAM;25;0;"<a href=https://www.ebi.ac.uk/chembl/assay_report_card/CHEMBL4135322/  target=_blank>CHEMBL4135322</a>";;;;;;;;;-4.92;;;;;;;;;;;;"Nesi G, Chen Q, Sestito S, Digiacomo M, Yang X, Wang S, Pi R, Rapposelli S.: Nature-based molecules combined with rivastigmine: A symbiotic approach for the synthesis of new agents against Alzheimer's disease. Eur J Med Chem, Volume 141, 2017";ChEMBL
MM473487;MM473487;CCN(C)C(=O)Oc1cccc(CNC(=O)CCCCC2CCSS2)c1;JUAVIZNHBLORJY-UHFFFAOYSA-N;396.58;4.47;;;;;BBB;EPAM;25;0;"<a href=https://www.ebi.ac.uk/chembl/assay_report_card/CHEMBL4135322/  target=_blank>CHEMBL4135322</a>";;;;;;;;;-4.56;;;;;;;;;;;;"Nesi G, Chen Q, Sestito S, Digiacomo M, Yang X, Wang S, Pi R, Rapposelli S.: Nature-based molecules combined with rivastigmine: A symbiotic approach for the synthesis of new agents against Alzheimer's disease. Eur J Med Chem, Volume 141, 2017";ChEMBL
MM473491;MM473491;Cc1cc(=O)oc2cc(OCCCCSC(=S)N3CCCCC3)ccc12;ZOCBBCHDTYVHNA-UHFFFAOYSA-N;391.56;4.76;;;;;BBB;EPAM;25;0;"<a href=https://www.ebi.ac.uk/chembl/assay_report_card/CHEMBL4147571/  target=_blank>CHEMBL4147571</a>";;;;;;;;;-5.04;;;;;;;;;;;;"Jiang N, Huang Q, Liu J, Liang N, Li Q, Li Q, Xie SS.: Design, synthesis and biological evaluation of new coumarin-dithiocarbamate hybrids as multifunctional agents for the treatment of Alzheimer's disease. Eur J Med Chem, Volume 146, 2018";ChEMBL
MM473479;MM473479;COc1cc(/C=C/C(=O)c2cccnc2)ccc1O;WBEAOYAIOBBKHR-GQCTYLIASA-N;255.27;2.69;;;;;BBB;EPAM;25;0;"<a href=https://www.ebi.ac.uk/chembl/assay_report_card/CHEMBL4132647/  target=_blank>CHEMBL4132647</a>";;;;;;;;;-5;;;;;;;;;;;;"De Simone A, Bartolini M, Baschieri A, Apperley KYP, Chen HH, Guardigni M, Montanari S, Kobrlova T, Soukup O, Valgimigli L, Andrisano V, Keillor JW, Basso M, Milelli A.: Hydroxy-substituted trans-cinnamoyl derivatives as multifunctional tools in the context of Alzheimer's disease. Eur J Med Chem, Volume 139, 2017";ChEMBL
MM473483;MM473483;CCN(C)C(=O)Oc1cccc(NC(=O)c2cc(O)c(O)c(O)c2)c1;MZYUZOUXEPSPMU-UHFFFAOYSA-N;346.34;2.51;;;;;BBB;EPAM;25;0;"<a href=https://www.ebi.ac.uk/chembl/assay_report_card/CHEMBL4135322/  target=_blank>CHEMBL4135322</a>";;;;;;;;;-5.51;;;;;;;;;;;;"Nesi G, Chen Q, Sestito S, Digiacomo M, Yang X, Wang S, Pi R, Rapposelli S.: Nature-based molecules combined with rivastigmine: A symbiotic approach for the synthesis of new agents against Alzheimer's disease. Eur J Med Chem, Volume 141, 2017";ChEMBL
MM473485;MM473485;CCN(C)C(=O)Oc1cccc(CCNC(=O)c2cc(O)c(O)c(O)c2)c1;BABCYRKFETVCKL-UHFFFAOYSA-N;374.39;2.23;;;;;BBB;EPAM;25;0;"<a href=https://www.ebi.ac.uk/chembl/assay_report_card/CHEMBL4135322/  target=_blank>CHEMBL4135322</a>";;;;;;;;;-5.29;;;;;;;;;;;;"Nesi G, Chen Q, Sestito S, Digiacomo M, Yang X, Wang S, Pi R, Rapposelli S.: Nature-based molecules combined with rivastigmine: A symbiotic approach for the synthesis of new agents against Alzheimer's disease. Eur J Med Chem, Volume 141, 2017";ChEMBL
MM472008;MM472008;CCN(CC)CCNC(=O)c1oc2ccc(N(Cc3ccc(Br)cc3)S(=O)(=O)c3ccc(Br)cc3)cc2c1C;MKSIQLOFEKFGAN-UHFFFAOYSA-N;677.46;6.73;;;;;BBB;EPAM;25;0;"ph = 7.4, <a href=https://www.ebi.ac.uk/chembl/assay_report_card/CHEMBL4130770/  target=_blank>CHEMBL4130770</a>";;;;;;;;;-5.6;;;;;;;;;;;;"Xu XL, Yang YR, Mo XF, Wei JL, Zhang XJ, You QD.: Design, synthesis, and evaluation of benzofuran derivatives as novel anti-pancreatic carcinoma agents via interfering the hypoxia environment by targeting HIF-1α pathway. Eur J Med Chem, Volume 137, 2017";ChEMBL
MM473482;MM473482;O=C(C1CCCCC1)N1CC2C3CCC(C3)C2C1;VJMSNBQMSAFRGS-UHFFFAOYSA-N;247.38;3.07;;;;;BBB;EPAM;25;0;"<a href=https://www.ebi.ac.uk/chembl/assay_report_card/CHEMBL4132703/  target=_blank>CHEMBL4132703</a>";;;;;;;;;-5.28;;;;;;;;;;;;"Leiva R, Griñan-Ferré C, Seira C, Valverde E, McBride A, Binnie M, Pérez B, Luque FJ, Pallàs M, Bidon-Chanal A, Webster SP, Vázquez S.: Design, synthesis and in vivo study of novel pyrrolidine-based 11β-HSD1 inhibitors for age-related cognitive dysfunction. Eur J Med Chem, Volume 139, 2017";ChEMBL
MM473486;MM473486;CCN(C)C(=O)Oc1cccc(NC(=O)CCCCC2CCSS2)c1;IJIZELZKMWGYRB-UHFFFAOYSA-N;382.55;4.79;;;;;BBB;EPAM;25;0;"<a href=https://www.ebi.ac.uk/chembl/assay_report_card/CHEMBL4135322/  target=_blank>CHEMBL4135322</a>";;;;;;;;;-4.99;;;;;;;;;;;;"Nesi G, Chen Q, Sestito S, Digiacomo M, Yang X, Wang S, Pi R, Rapposelli S.: Nature-based molecules combined with rivastigmine: A symbiotic approach for the synthesis of new agents against Alzheimer's disease. Eur J Med Chem, Volume 141, 2017";ChEMBL
MM474073;MM474073;O=C(O)c1cc(O)c2c(c1)C(=O)c1cccc(O)c1C2=O;FCDLCPWAQCPTKC-UHFFFAOYSA-N;284.22;1.57;10168;;;CHEMBL418068;BBB;EPAM;25;0;"<a href=https://www.ebi.ac.uk/chembl/assay_report_card/CHEMBL3238633/  target=_blank>CHEMBL3238633</a>";;;;;;;;;-5.57;;;;;;;;;;;;"Viayna E, Sola I, Bartolini M, De Simone A, Tapia-Rojas C, Serrano FG, Sabaté R, Juárez-Jiménez J, Pérez B, Luque FJ, Andrisano V, Clos MV, Inestrosa NC, Muñoz-Torrero D.: Synthesis and multitarget biological profiling of a novel family of rhein derivatives as disease-modifying anti-Alzheimer agents. J Med Chem, Volume 57 (6), 2014";ChEMBL
MM474010;MM474010;CCCCNc1nc(SCC)nc2c1cnn2CC(Cl)c1ccccc1;;389.96;5.13;11741081;;;CHEMBL41910;BBB;EPAM;25;0;"<a href=https://www.ebi.ac.uk/chembl/assay_report_card/CHEMBL4013499/  target=_blank>CHEMBL4013499</a>";;;;;;;;;-5;;;;;;;;;;;;"Vignaroli G, Iovenitti G, Zamperini C, Coniglio F, Calandro P, Molinari A, Fallacara AL, Sartucci A, Calgani A, Colecchia D, Mancini A, Festuccia C, Dreassi E, Valoti M, Musumeci F, Chiariello M, Angelucci A, Botta M, Schenone S.: Prodrugs of Pyrazolo[3,4-d]pyrimidines: From Library Synthesis to Evaluation as Potential Anticancer Agents in an Orthotopic Glioblastoma Model. J Med Chem, Volume 60 (14), 2017";ChEMBL
MM474680;MM474680;CCCc1nn(C)c2c(=O)[nH]c(-c3cc(-c4ccc(C(=O)NO)s4)ccc3OCC)nc12;FCFLWZALCRYDOY-UHFFFAOYSA-N;453.52;3.52;;;;;BBB;EPAM;25;0;"<a href=https://www.ebi.ac.uk/chembl/assay_report_card/CHEMBL4198925/  target=_blank>CHEMBL4198925</a>";;;;;;;;;-5.55;;;;;;;;;;;;"Rabal O, Sánchez-Arias JA, Cuadrado-Tejedor M, de Miguel I, Pérez-González M, García-Barroso C, Ugarte A, Estella-Hermoso de Mendoza A, Sáez E, Espelosin M, Ursua S, Haizhong T, Wei W, Musheng X, Garcia-Osta A, Oyarzabal J.: Design, synthesis, biological evaluation and in vivo testing of dual phosphodiesterase 5 (PDE5) and histone deacetylase 6 (HDAC6)-selective inhibitors for the treatment of Alzheimer's disease. Eur J Med Chem, Volume 150, 2018";ChEMBL
MM471439;MM471439;COc1cc(NC(=S)NCCCn2cncc2C)ccc1OCCN1CCNCC1C;UWPZYKOVHNLVSD-UHFFFAOYSA-N;446.62;2.25;145978674;;;CHEMBL4202790;BBB;EPAM;25;0;"ph = 7.4, <a href=https://www.ebi.ac.uk/chembl/assay_report_card/CHEMBL4188044/  target=_blank>CHEMBL4188044</a>";;;;;;;;;-5.8;;;;;;;;;;;;"Ngo VTH, Hoang VH, Tran PT, Ann J, Cui M, Park G, Choi S, Lee J, Kim H, Ha HJ, Choi K, Kim YH, Lee J.: Potent human glutaminyl cyclase inhibitors as potential anti-Alzheimer's agents: Structure-activity relationship study of Arg-mimetic region. Bioorg Med Chem, Volume 26 (5), 2018";ChEMBL
MM473528;MM473528;O=C1Nc2ccccc2C1=Nc1ccccc1F;IOYBXOWARYWTAJ-UHFFFAOYSA-N;240.24;2.9;;;;;BBB;EPAM;25;0;"<a href=https://www.ebi.ac.uk/chembl/assay_report_card/CHEMBL4192183/  target=_blank>CHEMBL4192183</a>";;;;;;;;;-4.97;;;;;;;;;;;;"Salado IG, Zaldivar-Diez J, Sebastián-Pérez V, Li L, Geiger L, González S, Campillo NE, Gil C, Morales AV, Perez DI, Martinez A.: Leucine rich repeat kinase 2 (LRRK2) inhibitors based on indolinone scaffold: Potential pro-neurogenic agents. Eur J Med Chem, Volume 138, 2017";ChEMBL
MM473538;MM473538;O=C1Nc2ccc(Br)cc2C1=NN1CCCCC1;VWSJKLQTNLBCHR-UHFFFAOYSA-N;308.18;2.59;;;;;BBB;EPAM;25;0;"<a href=https://www.ebi.ac.uk/chembl/assay_report_card/CHEMBL4192183/  target=_blank>CHEMBL4192183</a>";;;;;;;;;-5.03;;;;;;;;;;;;"Salado IG, Zaldivar-Diez J, Sebastián-Pérez V, Li L, Geiger L, González S, Campillo NE, Gil C, Morales AV, Perez DI, Martinez A.: Leucine rich repeat kinase 2 (LRRK2) inhibitors based on indolinone scaffold: Potential pro-neurogenic agents. Eur J Med Chem, Volume 138, 2017";ChEMBL
MM471456;MM471456;COc1cc(NC(=S)NCCCn2cncc2C)ccc1OCCCCc1ccnc(NCCO)c1;KGDHTKIAJMLGDU-UHFFFAOYSA-N;512.68;3.78;145977529;;;CHEMBL4203546;BBB;EPAM;25;0;"ph = 7.4, <a href=https://www.ebi.ac.uk/chembl/assay_report_card/CHEMBL4188044/  target=_blank>CHEMBL4188044</a>";;;;;;;;;-10;;;;;;;;;;;;"Ngo VTH, Hoang VH, Tran PT, Ann J, Cui M, Park G, Choi S, Lee J, Kim H, Ha HJ, Choi K, Kim YH, Lee J.: Potent human glutaminyl cyclase inhibitors as potential anti-Alzheimer's agents: Structure-activity relationship study of Arg-mimetic region. Bioorg Med Chem, Volume 26 (5), 2018";ChEMBL
MM473551;MM473551;O=C(/C(=C/c1ccccc1)c1ccccc1)N1CCN(c2ncccn2)CC1;JGNYMLOLJAGITA-DYTRJAOYSA-N;370.46;3.37;;;;;BBB;EPAM;25;0;"<a href=https://www.ebi.ac.uk/chembl/assay_report_card/CHEMBL4197900/  target=_blank>CHEMBL4197900</a>";;;;;;;;;-4.84;;;;;;;;;;;;"Fang Y, Xia W, Cheng B, Hua P, Zhou H, Gu Q, Xu J.: Design, synthesis, and biological evaluation of compounds with a new scaffold as anti-neuroinflammatory agents for the treatment of Alzheimer's disease. Eur J Med Chem, Volume 149, 2018";ChEMBL
MM471457;MM471457;COc1cc(NC(=S)NCCCn2cncc2C)ccc1OCCCCc1ccnc(NCCN)c1;JELMYIYAEJJBDJ-UHFFFAOYSA-N;511.7;3.74;145976064;;;CHEMBL4204093;BBB;EPAM;25;0;"ph = 7.4, <a href=https://www.ebi.ac.uk/chembl/assay_report_card/CHEMBL4188044/  target=_blank>CHEMBL4188044</a>";;;;;;;;;-10;;;;;;;;;;;;"Ngo VTH, Hoang VH, Tran PT, Ann J, Cui M, Park G, Choi S, Lee J, Kim H, Ha HJ, Choi K, Kim YH, Lee J.: Potent human glutaminyl cyclase inhibitors as potential anti-Alzheimer's agents: Structure-activity relationship study of Arg-mimetic region. Bioorg Med Chem, Volume 26 (5), 2018";ChEMBL
MM473566;MM473566;O=C(/C(=C/c1ccc(C(F)(F)F)cc1)c1cccc(C(F)(F)F)c1)N1CCN(c2ncccn2)CC1;NTIXPWPINOAFGN-RCCKNPSSSA-N;506.45;5.4;;;;;BBB;EPAM;25;0;"<a href=https://www.ebi.ac.uk/chembl/assay_report_card/CHEMBL4197900/  target=_blank>CHEMBL4197900</a>";;;;;;;;;-5.03;;;;;;;;;;;;"Fang Y, Xia W, Cheng B, Hua P, Zhou H, Gu Q, Xu J.: Design, synthesis, and biological evaluation of compounds with a new scaffold as anti-neuroinflammatory agents for the treatment of Alzheimer's disease. Eur J Med Chem, Volume 149, 2018";ChEMBL
MM474673;MM474673;CCCc1nn(C)c2c(=O)[nH]c(-c3cc(Cc4ccc(C(=O)NO)cc4F)ccc3OCC)nc12;GQTBRXQKYSJCQL-UHFFFAOYSA-N;479.51;3.52;;;;;BBB;EPAM;25;0;"<a href=https://www.ebi.ac.uk/chembl/assay_report_card/CHEMBL4198925/  target=_blank>CHEMBL4198925</a>";;;;;;;;;-5.43;;;;;;;;;;;;"Rabal O, Sánchez-Arias JA, Cuadrado-Tejedor M, de Miguel I, Pérez-González M, García-Barroso C, Ugarte A, Estella-Hermoso de Mendoza A, Sáez E, Espelosin M, Ursua S, Haizhong T, Wei W, Musheng X, Garcia-Osta A, Oyarzabal J.: Design, synthesis, biological evaluation and in vivo testing of dual phosphodiesterase 5 (PDE5) and histone deacetylase 6 (HDAC6)-selective inhibitors for the treatment of Alzheimer's disease. Eur J Med Chem, Volume 150, 2018";ChEMBL
MM471441;MM471441;COc1cc(NC(=S)NCCCn2cncc2C)ccc1OCCN1CCN(CCO)CC1;CTLVUSZWCBBVES-UHFFFAOYSA-N;476.65;1.57;145977317;;;CHEMBL4204419;BBB;EPAM;25;0;"ph = 7.4, <a href=https://www.ebi.ac.uk/chembl/assay_report_card/CHEMBL4188044/  target=_blank>CHEMBL4188044</a>";;;;;;;;;-6;;;;;;;;;;;;"Ngo VTH, Hoang VH, Tran PT, Ann J, Cui M, Park G, Choi S, Lee J, Kim H, Ha HJ, Choi K, Kim YH, Lee J.: Potent human glutaminyl cyclase inhibitors as potential anti-Alzheimer's agents: Structure-activity relationship study of Arg-mimetic region. Bioorg Med Chem, Volume 26 (5), 2018";ChEMBL
MM474679;MM474679;CCCc1nn(C)c2c(=O)[nH]c(-c3cc(-c4ccc(CC(=O)NO)cc4)ccc3OCC)nc12;DJXOHGHNFUBOFM-UHFFFAOYSA-N;461.52;3.39;;;;;BBB;EPAM;25;0;"<a href=https://www.ebi.ac.uk/chembl/assay_report_card/CHEMBL4198925/  target=_blank>CHEMBL4198925</a>";;;;;;;;;-5.71;;;;;;;;;;;;"Rabal O, Sánchez-Arias JA, Cuadrado-Tejedor M, de Miguel I, Pérez-González M, García-Barroso C, Ugarte A, Estella-Hermoso de Mendoza A, Sáez E, Espelosin M, Ursua S, Haizhong T, Wei W, Musheng X, Garcia-Osta A, Oyarzabal J.: Design, synthesis, biological evaluation and in vivo testing of dual phosphodiesterase 5 (PDE5) and histone deacetylase 6 (HDAC6)-selective inhibitors for the treatment of Alzheimer's disease. Eur J Med Chem, Volume 150, 2018";ChEMBL
MM474335;MM474335;COc1ccc(Cn2cc(C(=O)NCCNc3c4c(nc5ccccc35)CCCC4)c(=O)c3ccccc32)cc1;ARPJWCQYPTWXJZ-UHFFFAOYSA-N;532.64;5.33;;;;;BBB;EPAM;25;0;"<a href=https://www.ebi.ac.uk/chembl/assay_report_card/CHEMBL4198703/  target=_blank>CHEMBL4198703</a>";;;;;;;;;-5.74;;;;;;;;;;;;"Hepnarova V, Korabecny J, Matouskova L, Jost P, Muckova L, Hrabinova M, Vykoukalova N, Kerhartova M, Kucera T, Dolezal R, Nepovimova E, Spilovska K, Mezeiova E, Pham NL, Jun D, Staud F, Kaping D, Kuca K, Soukup O.: The concept of hybrid molecules of tacrine and benzyl quinolone carboxylic acid (BQCA) as multifunctional agents for Alzheimer's disease. Eur J Med Chem, Volume 150, 2018";ChEMBL
MM473534;MM473534;O=C1Nc2ccccc2C1=NN(Cc1ccccc1)c1ccccc1;FWTZAACCGUZJJE-UHFFFAOYSA-N;327.39;4.05;;;;;BBB;EPAM;25;0;"<a href=https://www.ebi.ac.uk/chembl/assay_report_card/CHEMBL4192183/  target=_blank>CHEMBL4192183</a>";;;;;;;;;-5.05;;;;;;;;;;;;"Salado IG, Zaldivar-Diez J, Sebastián-Pérez V, Li L, Geiger L, González S, Campillo NE, Gil C, Morales AV, Perez DI, Martinez A.: Leucine rich repeat kinase 2 (LRRK2) inhibitors based on indolinone scaffold: Potential pro-neurogenic agents. Eur J Med Chem, Volume 138, 2017";ChEMBL
MM473563;MM473563;O=C(/C(=C/c1cccc(Cl)c1)c1cccc(C(F)(F)F)c1)N1CCN(c2ncccn2)CC1;HZJIUZGZNZNBDK-RCCKNPSSSA-N;472.9;5.04;;;;;BBB;EPAM;25;0;"<a href=https://www.ebi.ac.uk/chembl/assay_report_card/CHEMBL4197900/  target=_blank>CHEMBL4197900</a>";;;;;;;;;-4.97;;;;;;;;;;;;"Fang Y, Xia W, Cheng B, Hua P, Zhou H, Gu Q, Xu J.: Design, synthesis, and biological evaluation of compounds with a new scaffold as anti-neuroinflammatory agents for the treatment of Alzheimer's disease. Eur J Med Chem, Volume 149, 2018";ChEMBL
MM471451;MM471451;COc1cc(NC(=S)NCCCn2cncc2C)ccc1OCC(=O)NC1CCN(CCN)CC1;FIKBZEIKIMRORH-UHFFFAOYSA-N;503.67;1.49;145970274;;;CHEMBL4205777;BBB;EPAM;25;0;"ph = 7.4, <a href=https://www.ebi.ac.uk/chembl/assay_report_card/CHEMBL4188044/  target=_blank>CHEMBL4188044</a>";;;;;;;;;-6.4;;;;;;;;;;;;"Ngo VTH, Hoang VH, Tran PT, Ann J, Cui M, Park G, Choi S, Lee J, Kim H, Ha HJ, Choi K, Kim YH, Lee J.: Potent human glutaminyl cyclase inhibitors as potential anti-Alzheimer's agents: Structure-activity relationship study of Arg-mimetic region. Bioorg Med Chem, Volume 26 (5), 2018";ChEMBL
MM471450;MM471450;COc1cc(NC(=S)NCCCn2cncc2C)ccc1OCCC(=O)NC1CCNCC1;ATGZTYZIJLPEPP-UHFFFAOYSA-N;474.63;2.21;145975884;;;CHEMBL4205893;BBB;EPAM;25;0;"ph = 7.4, <a href=https://www.ebi.ac.uk/chembl/assay_report_card/CHEMBL4188044/  target=_blank>CHEMBL4188044</a>";;;;;;;;;-5.6;;;;;;;;;;;;"Ngo VTH, Hoang VH, Tran PT, Ann J, Cui M, Park G, Choi S, Lee J, Kim H, Ha HJ, Choi K, Kim YH, Lee J.: Potent human glutaminyl cyclase inhibitors as potential anti-Alzheimer's agents: Structure-activity relationship study of Arg-mimetic region. Bioorg Med Chem, Volume 26 (5), 2018";ChEMBL
MM473560;MM473560;COc1ccc(/C=C(/C(=O)N2CCN(c3ncccn3)CC2)c2cccc(C(F)(F)F)c2)cc1;QCTVNRPBENNUPE-CJLVFECKSA-N;468.48;4.39;;;;;BBB;EPAM;25;0;"<a href=https://www.ebi.ac.uk/chembl/assay_report_card/CHEMBL4197900/  target=_blank>CHEMBL4197900</a>";;;;;;;;;-4.83;;;;;;;;;;;;"Fang Y, Xia W, Cheng B, Hua P, Zhou H, Gu Q, Xu J.: Design, synthesis, and biological evaluation of compounds with a new scaffold as anti-neuroinflammatory agents for the treatment of Alzheimer's disease. Eur J Med Chem, Volume 149, 2018";ChEMBL
MM473536;MM473536;O=C1Nc2ccc(Cl)cc2C1=NN1CCCCC1;DUXWOSJPHSUAGR-UHFFFAOYSA-N;263.73;2.48;;;;;BBB;EPAM;25;0;"<a href=https://www.ebi.ac.uk/chembl/assay_report_card/CHEMBL4192183/  target=_blank>CHEMBL4192183</a>";;;;;;;;;-4.53;;;;;;;;;;;;"Salado IG, Zaldivar-Diez J, Sebastián-Pérez V, Li L, Geiger L, González S, Campillo NE, Gil C, Morales AV, Perez DI, Martinez A.: Leucine rich repeat kinase 2 (LRRK2) inhibitors based on indolinone scaffold: Potential pro-neurogenic agents. Eur J Med Chem, Volume 138, 2017";ChEMBL
MM474681;MM474681;CCCc1nn(C)c2c(=O)[nH]c(-c3cc([C@H]4CC[C@@H](C(=O)NO)CC4)ccc3OCC)nc12;OLKDVNRJRHYWKX-GASCZTMLSA-N;453.54;3.45;;;;;BBB;EPAM;25;0;"<a href=https://www.ebi.ac.uk/chembl/assay_report_card/CHEMBL4198925/  target=_blank>CHEMBL4198925</a>";;;;;;;;;-5.77;;;;;;;;;;;;"Rabal O, Sánchez-Arias JA, Cuadrado-Tejedor M, de Miguel I, Pérez-González M, García-Barroso C, Ugarte A, Estella-Hermoso de Mendoza A, Sáez E, Espelosin M, Ursua S, Haizhong T, Wei W, Musheng X, Garcia-Osta A, Oyarzabal J.: Design, synthesis, biological evaluation and in vivo testing of dual phosphodiesterase 5 (PDE5) and histone deacetylase 6 (HDAC6)-selective inhibitors for the treatment of Alzheimer's disease. Eur J Med Chem, Volume 150, 2018";ChEMBL
MM473572;MM473572;COc1ccc(Nc2c(N/N=C/c3c(CO)cnc(C)c3O)c(=O)c2=O)cc1;NKTQTKLKPKYTJW-ODCIPOBUSA-N;382.38;1.38;;;;;BBB;EPAM;25;0;"<a href=https://www.ebi.ac.uk/chembl/assay_report_card/CHEMBL4198452/  target=_blank>CHEMBL4198452</a>";;;;;;;;;-5.8;;;;;;;;;;;;"D'Acunto CW, Kaplánek R, Gbelcová H, Kejík Z, Bříza T, Vasina L, Havlík M, Ruml T, Král V.: Metallomics for Alzheimer's disease treatment: Use of new generation of chelators combining metal-cation binding and transport properties. Eur J Med Chem, Volume 150, 2018";ChEMBL
MM474337;MM474337;COc1ccc(Cn2cc(C(=O)NCCCCCCNc3c4c(nc5ccccc35)CCCC4)c(=O)c3ccccc32)cc1;JXQZTEXAQLHFFG-UHFFFAOYSA-N;588.75;6.89;;;;;BBB;EPAM;25;0;"<a href=https://www.ebi.ac.uk/chembl/assay_report_card/CHEMBL4198703/  target=_blank>CHEMBL4198703</a>";;;;;;;;;-5.64;;;;;;;;;;;;"Hepnarova V, Korabecny J, Matouskova L, Jost P, Muckova L, Hrabinova M, Vykoukalova N, Kerhartova M, Kucera T, Dolezal R, Nepovimova E, Spilovska K, Mezeiova E, Pham NL, Jun D, Staud F, Kaping D, Kuca K, Soukup O.: The concept of hybrid molecules of tacrine and benzyl quinolone carboxylic acid (BQCA) as multifunctional agents for Alzheimer's disease. Eur J Med Chem, Volume 150, 2018";ChEMBL
MM473537;MM473537;O=C1Nc2ccc(F)cc2C1=NN1CCCCC1;RCCHQLIHHROELR-UHFFFAOYSA-N;247.27;1.97;;;;;BBB;EPAM;25;0;"<a href=https://www.ebi.ac.uk/chembl/assay_report_card/CHEMBL4192183/  target=_blank>CHEMBL4192183</a>";;;;;;;;;-4.78;;;;;;;;;;;;"Salado IG, Zaldivar-Diez J, Sebastián-Pérez V, Li L, Geiger L, González S, Campillo NE, Gil C, Morales AV, Perez DI, Martinez A.: Leucine rich repeat kinase 2 (LRRK2) inhibitors based on indolinone scaffold: Potential pro-neurogenic agents. Eur J Med Chem, Volume 138, 2017";ChEMBL
MM471448;MM471448;COc1cc(NC(=S)NCCCn2cncc2C)ccc1OCCCC(=O)N1CCNCC1;TVXJFXJTVMKCIR-UHFFFAOYSA-N;474.63;2.17;145978124;;;CHEMBL4206718;BBB;EPAM;25;0;"ph = 7.4, <a href=https://www.ebi.ac.uk/chembl/assay_report_card/CHEMBL4188044/  target=_blank>CHEMBL4188044</a>";;;;;;;;;-5.7;;;;;;;;;;;;"Ngo VTH, Hoang VH, Tran PT, Ann J, Cui M, Park G, Choi S, Lee J, Kim H, Ha HJ, Choi K, Kim YH, Lee J.: Potent human glutaminyl cyclase inhibitors as potential anti-Alzheimer's agents: Structure-activity relationship study of Arg-mimetic region. Bioorg Med Chem, Volume 26 (5), 2018";ChEMBL
MM471447;MM471447;COc1cc(NC(=S)NCCCn2cncc2C)ccc1OCCC(=O)N1CCNCC1;OSQHCPSMWCVJJV-UHFFFAOYSA-N;460.6;1.78;145976667;;;CHEMBL4206893;BBB;EPAM;25;0;"ph = 7.4, <a href=https://www.ebi.ac.uk/chembl/assay_report_card/CHEMBL4188044/  target=_blank>CHEMBL4188044</a>";;;;;;;;;-5.7;;;;;;;;;;;;"Ngo VTH, Hoang VH, Tran PT, Ann J, Cui M, Park G, Choi S, Lee J, Kim H, Ha HJ, Choi K, Kim YH, Lee J.: Potent human glutaminyl cyclase inhibitors as potential anti-Alzheimer's agents: Structure-activity relationship study of Arg-mimetic region. Bioorg Med Chem, Volume 26 (5), 2018";ChEMBL
MM473530;MM473530;CN(C)c1ccc(N=C2C(=O)Nc3ccccc32)cc1;DFWZUSLCIXGPOP-UHFFFAOYSA-N;265.32;2.83;;;;;BBB;EPAM;25;0;"<a href=https://www.ebi.ac.uk/chembl/assay_report_card/CHEMBL4192183/  target=_blank>CHEMBL4192183</a>";;;;;;;;;-5.08;;;;;;;;;;;;"Salado IG, Zaldivar-Diez J, Sebastián-Pérez V, Li L, Geiger L, González S, Campillo NE, Gil C, Morales AV, Perez DI, Martinez A.: Leucine rich repeat kinase 2 (LRRK2) inhibitors based on indolinone scaffold: Potential pro-neurogenic agents. Eur J Med Chem, Volume 138, 2017";ChEMBL
MM473542;MM473542;O=C1Nc2ccc(Br)cc2C1=NN1CCOCC1;XMRMKZJUXWCTSX-UHFFFAOYSA-N;310.15;1.44;;;;;BBB;EPAM;25;0;"<a href=https://www.ebi.ac.uk/chembl/assay_report_card/CHEMBL4192183/  target=_blank>CHEMBL4192183</a>";;;;;;;;;-4.96;;;;;;;;;;;;"Salado IG, Zaldivar-Diez J, Sebastián-Pérez V, Li L, Geiger L, González S, Campillo NE, Gil C, Morales AV, Perez DI, Martinez A.: Leucine rich repeat kinase 2 (LRRK2) inhibitors based on indolinone scaffold: Potential pro-neurogenic agents. Eur J Med Chem, Volume 138, 2017";ChEMBL
MM473554;MM473554;O=C(/C(=C/c1ccc(Cl)cc1)c1ccccc1)N1CCN(c2ncccn2)CC1;KFFIEYGSFWVIOF-HEHNFIMWSA-N;404.9;4.02;;;;;BBB;EPAM;25;0;"<a href=https://www.ebi.ac.uk/chembl/assay_report_card/CHEMBL4197900/  target=_blank>CHEMBL4197900</a>";;;;;;;;;-5.13;;;;;;;;;;;;"Fang Y, Xia W, Cheng B, Hua P, Zhou H, Gu Q, Xu J.: Design, synthesis, and biological evaluation of compounds with a new scaffold as anti-neuroinflammatory agents for the treatment of Alzheimer's disease. Eur J Med Chem, Volume 149, 2018";ChEMBL
MM473568;MM473568;O=C(/C(=C/c1ccccc1)c1ccc(F)cc1)N1CCN(c2ncccn2)CC1;FCJWGBBZFMWILI-HEHNFIMWSA-N;388.45;3.51;;;;;BBB;EPAM;25;0;"<a href=https://www.ebi.ac.uk/chembl/assay_report_card/CHEMBL4197900/  target=_blank>CHEMBL4197900</a>";;;;;;;;;-4.95;;;;;;;;;;;;"Fang Y, Xia W, Cheng B, Hua P, Zhou H, Gu Q, Xu J.: Design, synthesis, and biological evaluation of compounds with a new scaffold as anti-neuroinflammatory agents for the treatment of Alzheimer's disease. Eur J Med Chem, Volume 149, 2018";ChEMBL
MM473567;MM473567;COc1ccc(O)c(/C=C(/C(=O)N2CCN(c3ncccn3)CC2)c2cccc(C(F)(F)F)c2)c1;SSGDVKBYZBVADC-LTGZKZEYSA-N;484.48;4.1;;;;;BBB;EPAM;25;0;"<a href=https://www.ebi.ac.uk/chembl/assay_report_card/CHEMBL4197900/  target=_blank>CHEMBL4197900</a>";;;;;;;;;-4.9;;;;;;;;;;;;"Fang Y, Xia W, Cheng B, Hua P, Zhou H, Gu Q, Xu J.: Design, synthesis, and biological evaluation of compounds with a new scaffold as anti-neuroinflammatory agents for the treatment of Alzheimer's disease. Eur J Med Chem, Volume 149, 2018";ChEMBL
MM473557;MM473557;O=C(/C(=C/c1ccc(C(F)(F)F)cc1)c1ccccc1)N1CCN(c2ncccn2)CC1;IJVSSSQDNTUXND-HEHNFIMWSA-N;438.45;4.38;;;;;BBB;EPAM;25;0;"<a href=https://www.ebi.ac.uk/chembl/assay_report_card/CHEMBL4197900/  target=_blank>CHEMBL4197900</a>";;;;;;;;;-5.09;;;;;;;;;;;;"Fang Y, Xia W, Cheng B, Hua P, Zhou H, Gu Q, Xu J.: Design, synthesis, and biological evaluation of compounds with a new scaffold as anti-neuroinflammatory agents for the treatment of Alzheimer's disease. Eur J Med Chem, Volume 149, 2018";ChEMBL
MM474676;MM474676;CCCc1nn(C)c2c(=O)[nH]c(-c3cc(Cc4ccc(C(=O)NO)c(F)c4)ccc3OCC)nc12;AFSIULIFJJDVHG-UHFFFAOYSA-N;479.51;3.52;;;;;BBB;EPAM;25;0;"<a href=https://www.ebi.ac.uk/chembl/assay_report_card/CHEMBL4198925/  target=_blank>CHEMBL4198925</a>";;;;;;;;;-5.55;;;;;;;;;;;;"Rabal O, Sánchez-Arias JA, Cuadrado-Tejedor M, de Miguel I, Pérez-González M, García-Barroso C, Ugarte A, Estella-Hermoso de Mendoza A, Sáez E, Espelosin M, Ursua S, Haizhong T, Wei W, Musheng X, Garcia-Osta A, Oyarzabal J.: Design, synthesis, biological evaluation and in vivo testing of dual phosphodiesterase 5 (PDE5) and histone deacetylase 6 (HDAC6)-selective inhibitors for the treatment of Alzheimer's disease. Eur J Med Chem, Volume 150, 2018";ChEMBL
MM474684;MM474684;CCCc1nc(C)c2c(=O)[nH]c(-c3cc(-c4ccc(C(=O)NO)cc4)ccc3OCC)nn12;OQSYENMWQGYXMW-UHFFFAOYSA-N;447.5;3.53;;;;;BBB;EPAM;25;0;"<a href=https://www.ebi.ac.uk/chembl/assay_report_card/CHEMBL4198926/  target=_blank>CHEMBL4198926</a>";;;;;;;;;-5.57;;;;;;;;;;;;"Rabal O, Sánchez-Arias JA, Cuadrado-Tejedor M, de Miguel I, Pérez-González M, García-Barroso C, Ugarte A, Estella-Hermoso de Mendoza A, Sáez E, Espelosin M, Ursua S, Haizhong T, Wei W, Musheng X, Garcia-Osta A, Oyarzabal J.: Design, synthesis, biological evaluation and in vivo testing of dual phosphodiesterase 5 (PDE5) and histone deacetylase 6 (HDAC6)-selective inhibitors for the treatment of Alzheimer's disease. Eur J Med Chem, Volume 150, 2018";ChEMBL
MM473565;MM473565;O=C(/C(=C/c1ccc(F)cc1)c1cccc(C(F)(F)F)c1)N1CCN(c2ncccn2)CC1;YKSQTGVJHIRYTN-RCCKNPSSSA-N;456.44;4.52;;;;;BBB;EPAM;25;0;"<a href=https://www.ebi.ac.uk/chembl/assay_report_card/CHEMBL4197900/  target=_blank>CHEMBL4197900</a>";;;;;;;;;-4.91;;;;;;;;;;;;"Fang Y, Xia W, Cheng B, Hua P, Zhou H, Gu Q, Xu J.: Design, synthesis, and biological evaluation of compounds with a new scaffold as anti-neuroinflammatory agents for the treatment of Alzheimer's disease. Eur J Med Chem, Volume 149, 2018";ChEMBL
MM473562;MM473562;O=C(/C(=C/c1ccc(Cl)cc1)c1cccc(C(F)(F)F)c1)N1CCN(c2ncccn2)CC1;HSEOQWLDICCHFK-RCCKNPSSSA-N;472.9;5.04;;;;;BBB;EPAM;25;0;"<a href=https://www.ebi.ac.uk/chembl/assay_report_card/CHEMBL4197900/  target=_blank>CHEMBL4197900</a>";;;;;;;;;-5.29;;;;;;;;;;;;"Fang Y, Xia W, Cheng B, Hua P, Zhou H, Gu Q, Xu J.: Design, synthesis, and biological evaluation of compounds with a new scaffold as anti-neuroinflammatory agents for the treatment of Alzheimer's disease. Eur J Med Chem, Volume 149, 2018";ChEMBL
MM473574;MM473574;Cc1ncc(CO)c(/C=N/NC(=O)CC[C@@H](C)[C@H]2CC[C@H]3[C@@H]4[C@H](O)C[C@@H]5C[C@H](O)CC[C@]5(C)[C@H]4C[C@H](O)[C@]23C)c1O;ZFTUAPDGWDYOLA-XJHUWSDUSA-N;571.76;3.42;;;;;BBB;EPAM;25;0;"<a href=https://www.ebi.ac.uk/chembl/assay_report_card/CHEMBL4198452/  target=_blank>CHEMBL4198452</a>";;;;;;;;;-5.12;;;;;;;;;;;;"D'Acunto CW, Kaplánek R, Gbelcová H, Kejík Z, Bříza T, Vasina L, Havlík M, Ruml T, Král V.: Metallomics for Alzheimer's disease treatment: Use of new generation of chelators combining metal-cation binding and transport properties. Eur J Med Chem, Volume 150, 2018";ChEMBL
MM473541;MM473541;O=C1Nc2ccc(F)cc2C1=NN1CCOCC1;VTWBVNZLNQXFIV-UHFFFAOYSA-N;249.25;0.81;;;;;BBB;EPAM;25;0;"<a href=https://www.ebi.ac.uk/chembl/assay_report_card/CHEMBL4192183/  target=_blank>CHEMBL4192183</a>";;;;;;;;;-5.08;;;;;;;;;;;;"Salado IG, Zaldivar-Diez J, Sebastián-Pérez V, Li L, Geiger L, González S, Campillo NE, Gil C, Morales AV, Perez DI, Martinez A.: Leucine rich repeat kinase 2 (LRRK2) inhibitors based on indolinone scaffold: Potential pro-neurogenic agents. Eur J Med Chem, Volume 138, 2017";ChEMBL
MM474339;MM474339;COc1ccc(Cn2cc(C(=O)NCCCNc3c4c(nc5cc(Cl)ccc35)CCCC4)c(=O)c3ccccc32)cc1;MXLDMFKZOSQDCE-UHFFFAOYSA-N;581.12;6.37;;;;;BBB;EPAM;25;0;"<a href=https://www.ebi.ac.uk/chembl/assay_report_card/CHEMBL4198703/  target=_blank>CHEMBL4198703</a>";;;;;;;;;-5.51;;;;;;;;;;;;"Hepnarova V, Korabecny J, Matouskova L, Jost P, Muckova L, Hrabinova M, Vykoukalova N, Kerhartova M, Kucera T, Dolezal R, Nepovimova E, Spilovska K, Mezeiova E, Pham NL, Jun D, Staud F, Kaping D, Kuca K, Soukup O.: The concept of hybrid molecules of tacrine and benzyl quinolone carboxylic acid (BQCA) as multifunctional agents for Alzheimer's disease. Eur J Med Chem, Volume 150, 2018";ChEMBL
MM473535;MM473535;"COc1ccc2c(c1)/C(=N\N(c1ccccc1)c1ccccc1)C(=O)N2";YCJSBWBTBOZPHG-UHFFFAOYSA-N;343.39;4.19;;;;;BBB;EPAM;25;0;"<a href=https://www.ebi.ac.uk/chembl/assay_report_card/CHEMBL4192183/  target=_blank>CHEMBL4192183</a>";;;;;;;;;-4.79;;;;;;;;;;;;"Salado IG, Zaldivar-Diez J, Sebastián-Pérez V, Li L, Geiger L, González S, Campillo NE, Gil C, Morales AV, Perez DI, Martinez A.: Leucine rich repeat kinase 2 (LRRK2) inhibitors based on indolinone scaffold: Potential pro-neurogenic agents. Eur J Med Chem, Volume 138, 2017";ChEMBL
MM473552;MM473552;COc1ccc(/C=C(/C(=O)N2CCN(c3ncccn3)CC2)c2ccccc2)cc1;WNOXEOLEQKHUER-RELWKKBWSA-N;400.48;3.37;;;;;BBB;EPAM;25;0;"<a href=https://www.ebi.ac.uk/chembl/assay_report_card/CHEMBL4197900/  target=_blank>CHEMBL4197900</a>";;;;;;;;;-4.99;;;;;;;;;;;;"Fang Y, Xia W, Cheng B, Hua P, Zhou H, Gu Q, Xu J.: Design, synthesis, and biological evaluation of compounds with a new scaffold as anti-neuroinflammatory agents for the treatment of Alzheimer's disease. Eur J Med Chem, Volume 149, 2018";ChEMBL
MM473571;MM473571;CCN1/C(=C/c2c(N/N=C/c3c(CO)cnc(C)c3O)c(=O)c2=O)Sc2ccccc21;OTRZJWCRPIVISU-OELHCZOQSA-N;436.49;2.56;;;;;BBB;EPAM;25;0;"<a href=https://www.ebi.ac.uk/chembl/assay_report_card/CHEMBL4198452/  target=_blank>CHEMBL4198452</a>";;;;;;;;;-5.55;;;;;;;;;;;;"D'Acunto CW, Kaplánek R, Gbelcová H, Kejík Z, Bříza T, Vasina L, Havlík M, Ruml T, Král V.: Metallomics for Alzheimer's disease treatment: Use of new generation of chelators combining metal-cation binding and transport properties. Eur J Med Chem, Volume 150, 2018";ChEMBL
MM473570;MM473570;COc1ccccc1/C=C(/C(=O)N1CCN(c2ncccn2)CC1)c1ccc(F)cc1;PRPKKCPVTJUMJU-HEHNFIMWSA-N;418.47;3.51;;;;;BBB;EPAM;25;0;"<a href=https://www.ebi.ac.uk/chembl/assay_report_card/CHEMBL4197900/  target=_blank>CHEMBL4197900</a>";;;;;;;;;-4.86;;;;;;;;;;;;"Fang Y, Xia W, Cheng B, Hua P, Zhou H, Gu Q, Xu J.: Design, synthesis, and biological evaluation of compounds with a new scaffold as anti-neuroinflammatory agents for the treatment of Alzheimer's disease. Eur J Med Chem, Volume 149, 2018";ChEMBL
MM474332;MM474332;COc1ccc(Cn2cc(C(=O)NCCNc3c4c(nc5ccc(OC)cc35)CCCC4)c(=O)c3ccccc32)cc1;DUIQBBIIFBGGSF-UHFFFAOYSA-N;562.67;5.34;;;;;BBB;EPAM;25;0;"<a href=https://www.ebi.ac.uk/chembl/assay_report_card/CHEMBL4198703/  target=_blank>CHEMBL4198703</a>";;;;;;;;;-5.78;;;;;;;;;;;;"Hepnarova V, Korabecny J, Matouskova L, Jost P, Muckova L, Hrabinova M, Vykoukalova N, Kerhartova M, Kucera T, Dolezal R, Nepovimova E, Spilovska K, Mezeiova E, Pham NL, Jun D, Staud F, Kaping D, Kuca K, Soukup O.: The concept of hybrid molecules of tacrine and benzyl quinolone carboxylic acid (BQCA) as multifunctional agents for Alzheimer's disease. Eur J Med Chem, Volume 150, 2018";ChEMBL
MM471444;MM471444;COc1cc(NC(=S)NCCCn2cncc2C)ccc1OCCCN1CCN(CCN)CC1;LJMYJXCKLGLAOK-UHFFFAOYSA-N;489.69;1.92;145964604;;;CHEMBL4212160;BBB;EPAM;25;0;"ph = 7.4, <a href=https://www.ebi.ac.uk/chembl/assay_report_card/CHEMBL4188044/  target=_blank>CHEMBL4188044</a>";;;;;;;;;-10;;;;;;;;;;;;"Ngo VTH, Hoang VH, Tran PT, Ann J, Cui M, Park G, Choi S, Lee J, Kim H, Ha HJ, Choi K, Kim YH, Lee J.: Potent human glutaminyl cyclase inhibitors as potential anti-Alzheimer's agents: Structure-activity relationship study of Arg-mimetic region. Bioorg Med Chem, Volume 26 (5), 2018";ChEMBL
MM474677;MM474677;CCCc1nn(C)c2c(=O)[nH]c(-c3cc(Cc4ccc(C(=O)NO)s4)ccc3OCC)nc12;NGFDENLSEDFSFN-UHFFFAOYSA-N;467.55;3.45;;;;;BBB;EPAM;25;0;"<a href=https://www.ebi.ac.uk/chembl/assay_report_card/CHEMBL4198925/  target=_blank>CHEMBL4198925</a>";;;;;;;;;-5.54;;;;;;;;;;;;"Rabal O, Sánchez-Arias JA, Cuadrado-Tejedor M, de Miguel I, Pérez-González M, García-Barroso C, Ugarte A, Estella-Hermoso de Mendoza A, Sáez E, Espelosin M, Ursua S, Haizhong T, Wei W, Musheng X, Garcia-Osta A, Oyarzabal J.: Design, synthesis, biological evaluation and in vivo testing of dual phosphodiesterase 5 (PDE5) and histone deacetylase 6 (HDAC6)-selective inhibitors for the treatment of Alzheimer's disease. Eur J Med Chem, Volume 150, 2018";ChEMBL
MM473555;MM473555;O=C(/C(=C/c1cccc(Cl)c1)c1ccccc1)N1CCN(c2ncccn2)CC1;IWMSAPQAQWVIOX-HEHNFIMWSA-N;404.9;4.02;;;;;BBB;EPAM;25;0;"<a href=https://www.ebi.ac.uk/chembl/assay_report_card/CHEMBL4197900/  target=_blank>CHEMBL4197900</a>";;;;;;;;;-4.95;;;;;;;;;;;;"Fang Y, Xia W, Cheng B, Hua P, Zhou H, Gu Q, Xu J.: Design, synthesis, and biological evaluation of compounds with a new scaffold as anti-neuroinflammatory agents for the treatment of Alzheimer's disease. Eur J Med Chem, Volume 149, 2018";ChEMBL
MM474672;MM474672;CCCc1nn(C)c2c(=O)[nH]c(-c3cc(Cc4ccc(CC(=O)NO)cc4)ccc3OCC)nc12;AFVWNFJXGSIJSF-UHFFFAOYSA-N;475.55;3.31;;;;;BBB;EPAM;25;0;"<a href=https://www.ebi.ac.uk/chembl/assay_report_card/CHEMBL4198925/  target=_blank>CHEMBL4198925</a>";;;;;;;;;-5.53;;;;;;;;;;;;"Rabal O, Sánchez-Arias JA, Cuadrado-Tejedor M, de Miguel I, Pérez-González M, García-Barroso C, Ugarte A, Estella-Hermoso de Mendoza A, Sáez E, Espelosin M, Ursua S, Haizhong T, Wei W, Musheng X, Garcia-Osta A, Oyarzabal J.: Design, synthesis, biological evaluation and in vivo testing of dual phosphodiesterase 5 (PDE5) and histone deacetylase 6 (HDAC6)-selective inhibitors for the treatment of Alzheimer's disease. Eur J Med Chem, Volume 150, 2018";ChEMBL
MM473569;MM473569;COc1ccc(/C=C(/C(=O)N2CCN(c3ncccn3)CC2)c2ccc(F)cc2)cc1;KLBKAACQFIENRI-OQKWZONESA-N;418.47;3.51;;;;;BBB;EPAM;25;0;"<a href=https://www.ebi.ac.uk/chembl/assay_report_card/CHEMBL4197900/  target=_blank>CHEMBL4197900</a>";;;;;;;;;-4.98;;;;;;;;;;;;"Fang Y, Xia W, Cheng B, Hua P, Zhou H, Gu Q, Xu J.: Design, synthesis, and biological evaluation of compounds with a new scaffold as anti-neuroinflammatory agents for the treatment of Alzheimer's disease. Eur J Med Chem, Volume 149, 2018";ChEMBL
MM473559;MM473559;O=C(/C(=C/c1ccccc1)c1cccc(C(F)(F)F)c1)N1CCN(c2ncccn2)CC1;GPITYIFKJAXIOM-LTGZKZEYSA-N;438.45;4.38;;;;;BBB;EPAM;25;0;"<a href=https://www.ebi.ac.uk/chembl/assay_report_card/CHEMBL4197900/  target=_blank>CHEMBL4197900</a>";;;;;;;;;-5.14;;;;;;;;;;;;"Fang Y, Xia W, Cheng B, Hua P, Zhou H, Gu Q, Xu J.: Design, synthesis, and biological evaluation of compounds with a new scaffold as anti-neuroinflammatory agents for the treatment of Alzheimer's disease. Eur J Med Chem, Volume 149, 2018";ChEMBL
MM471440;MM471440;COc1cc(NC(=S)NCCCn2cncc2C)ccc1OCCN1CC(C)NC(C)C1;STSMHQIARYIWIK-UHFFFAOYSA-N;460.65;2.64;145966279;;;CHEMBL4213555;BBB;EPAM;25;0;"ph = 7.4, <a href=https://www.ebi.ac.uk/chembl/assay_report_card/CHEMBL4188044/  target=_blank>CHEMBL4188044</a>";;;;;;;;;-5.3;;;;;;;;;;;;"Ngo VTH, Hoang VH, Tran PT, Ann J, Cui M, Park G, Choi S, Lee J, Kim H, Ha HJ, Choi K, Kim YH, Lee J.: Potent human glutaminyl cyclase inhibitors as potential anti-Alzheimer's agents: Structure-activity relationship study of Arg-mimetic region. Bioorg Med Chem, Volume 26 (5), 2018";ChEMBL
MM474340;MM474340;COc1ccc(Cn2cc(C(=O)NCCCCCCCNc3c4c(nc5cc(Cl)ccc35)CCCC4)c(=O)c3ccccc32)cc1;ZGACJRITTJMLJD-UHFFFAOYSA-N;637.22;7.93;;;;;BBB;EPAM;25;0;"<a href=https://www.ebi.ac.uk/chembl/assay_report_card/CHEMBL4198703/  target=_blank>CHEMBL4198703</a>";;;;;;;;;-5.63;;;;;;;;;;;;"Hepnarova V, Korabecny J, Matouskova L, Jost P, Muckova L, Hrabinova M, Vykoukalova N, Kerhartova M, Kucera T, Dolezal R, Nepovimova E, Spilovska K, Mezeiova E, Pham NL, Jun D, Staud F, Kaping D, Kuca K, Soukup O.: The concept of hybrid molecules of tacrine and benzyl quinolone carboxylic acid (BQCA) as multifunctional agents for Alzheimer's disease. Eur J Med Chem, Volume 150, 2018";ChEMBL
MM474682;MM474682;CCCc1nc(C)c2c(=O)[nH]c(-c3cc(Cc4ccc(C(=O)NO)cc4)ccc3OCC)nn12;OHUQSMQMNUAQHM-UHFFFAOYSA-N;461.52;3.45;;;;;BBB;EPAM;25;0;"<a href=https://www.ebi.ac.uk/chembl/assay_report_card/CHEMBL4198925/  target=_blank>CHEMBL4198925</a>";;;;;;;;;-5.73;;;;;;;;;;;;"Rabal O, Sánchez-Arias JA, Cuadrado-Tejedor M, de Miguel I, Pérez-González M, García-Barroso C, Ugarte A, Estella-Hermoso de Mendoza A, Sáez E, Espelosin M, Ursua S, Haizhong T, Wei W, Musheng X, Garcia-Osta A, Oyarzabal J.: Design, synthesis, biological evaluation and in vivo testing of dual phosphodiesterase 5 (PDE5) and histone deacetylase 6 (HDAC6)-selective inhibitors for the treatment of Alzheimer's disease. Eur J Med Chem, Volume 150, 2018";ChEMBL
MM471443;MM471443;COc1cc(NC(=S)NCCCn2cncc2C)ccc1OCCN1CCN(CCN)CC1;ACWOWTRNWOHCCC-UHFFFAOYSA-N;475.66;1.53;145963982;;;CHEMBL4213750;BBB;EPAM;25;0;"ph = 7.4, <a href=https://www.ebi.ac.uk/chembl/assay_report_card/CHEMBL4188044/  target=_blank>CHEMBL4188044</a>";;;;;;;;;-5.7;;;;;;;;;;;;"Ngo VTH, Hoang VH, Tran PT, Ann J, Cui M, Park G, Choi S, Lee J, Kim H, Ha HJ, Choi K, Kim YH, Lee J.: Potent human glutaminyl cyclase inhibitors as potential anti-Alzheimer's agents: Structure-activity relationship study of Arg-mimetic region. Bioorg Med Chem, Volume 26 (5), 2018";ChEMBL
MM471455;MM471455;COc1cc(NC(=S)NCCCn2cncc2C)ccc1OCc1ccc(C2CCNCC2)cc1;LCWWYEHVPHUMNY-UHFFFAOYSA-N;493.68;4.62;145966290;;;CHEMBL4213886;BBB;EPAM;25;0;"ph = 7.4, <a href=https://www.ebi.ac.uk/chembl/assay_report_card/CHEMBL4188044/  target=_blank>CHEMBL4188044</a>";;;;;;;;;-5.8;;;;;;;;;;;;"Ngo VTH, Hoang VH, Tran PT, Ann J, Cui M, Park G, Choi S, Lee J, Kim H, Ha HJ, Choi K, Kim YH, Lee J.: Potent human glutaminyl cyclase inhibitors as potential anti-Alzheimer's agents: Structure-activity relationship study of Arg-mimetic region. Bioorg Med Chem, Volume 26 (5), 2018";ChEMBL
MM473556;MM473556;O=C(/C(=C/c1ccccc1Cl)c1ccccc1)N1CCN(c2ncccn2)CC1;XZVJMNBWWSFFHL-LVZFUZTISA-N;404.9;4.02;;;;;BBB;EPAM;25;0;"<a href=https://www.ebi.ac.uk/chembl/assay_report_card/CHEMBL4197900/  target=_blank>CHEMBL4197900</a>";;;;;;;;;-5.03;;;;;;;;;;;;"Fang Y, Xia W, Cheng B, Hua P, Zhou H, Gu Q, Xu J.: Design, synthesis, and biological evaluation of compounds with a new scaffold as anti-neuroinflammatory agents for the treatment of Alzheimer's disease. Eur J Med Chem, Volume 149, 2018";ChEMBL
MM474683;MM474683;CCCc1nc(C)c2c(=O)[nH]c(-c3cc(Cc4ccc(C(=O)NO)s4)ccc3OCC)nn12;UVAOACDYKCHCQN-UHFFFAOYSA-N;467.55;3.52;;;;;BBB;EPAM;25;0;"<a href=https://www.ebi.ac.uk/chembl/assay_report_card/CHEMBL4198925/  target=_blank>CHEMBL4198925</a>";;;;;;;;;-5.8;;;;;;;;;;;;"Rabal O, Sánchez-Arias JA, Cuadrado-Tejedor M, de Miguel I, Pérez-González M, García-Barroso C, Ugarte A, Estella-Hermoso de Mendoza A, Sáez E, Espelosin M, Ursua S, Haizhong T, Wei W, Musheng X, Garcia-Osta A, Oyarzabal J.: Design, synthesis, biological evaluation and in vivo testing of dual phosphodiesterase 5 (PDE5) and histone deacetylase 6 (HDAC6)-selective inhibitors for the treatment of Alzheimer's disease. Eur J Med Chem, Volume 150, 2018";ChEMBL
MM471454;MM471454;COc1cc(NC(=S)NCCCn2cncc2C)ccc1Oc1ccc(C2CCNCC2)cc1;MKFWBDSYFWTXNX-UHFFFAOYSA-N;479.65;4.84;145973429;;;CHEMBL4214577;BBB;EPAM;25;0;"ph = 7.4, <a href=https://www.ebi.ac.uk/chembl/assay_report_card/CHEMBL4188044/  target=_blank>CHEMBL4188044</a>";;;;;;;;;-5.6;;;;;;;;;;;;"Ngo VTH, Hoang VH, Tran PT, Ann J, Cui M, Park G, Choi S, Lee J, Kim H, Ha HJ, Choi K, Kim YH, Lee J.: Potent human glutaminyl cyclase inhibitors as potential anti-Alzheimer's agents: Structure-activity relationship study of Arg-mimetic region. Bioorg Med Chem, Volume 26 (5), 2018";ChEMBL
MM474336;MM474336;COc1ccc(Cn2cc(C(=O)NCCCNc3c4c(nc5ccccc35)CCCC4)c(=O)c3ccccc32)cc1;KVDGLEHCVWVBQY-UHFFFAOYSA-N;546.67;5.72;;;;;BBB;EPAM;25;0;"<a href=https://www.ebi.ac.uk/chembl/assay_report_card/CHEMBL4198703/  target=_blank>CHEMBL4198703</a>";;;;;;;;;-5.59;;;;;;;;;;;;"Hepnarova V, Korabecny J, Matouskova L, Jost P, Muckova L, Hrabinova M, Vykoukalova N, Kerhartova M, Kucera T, Dolezal R, Nepovimova E, Spilovska K, Mezeiova E, Pham NL, Jun D, Staud F, Kaping D, Kuca K, Soukup O.: The concept of hybrid molecules of tacrine and benzyl quinolone carboxylic acid (BQCA) as multifunctional agents for Alzheimer's disease. Eur J Med Chem, Volume 150, 2018";ChEMBL
MM473558;MM473558;COc1ccc(O)c(/C=C(/C(=O)N2CCN(c3ncccn3)CC2)c2ccccc2)c1;UABNKRCGWUFTCG-HEHNFIMWSA-N;416.48;3.08;;;;;BBB;EPAM;25;0;"<a href=https://www.ebi.ac.uk/chembl/assay_report_card/CHEMBL4197900/  target=_blank>CHEMBL4197900</a>";;;;;;;;;-4.85;;;;;;;;;;;;"Fang Y, Xia W, Cheng B, Hua P, Zhou H, Gu Q, Xu J.: Design, synthesis, and biological evaluation of compounds with a new scaffold as anti-neuroinflammatory agents for the treatment of Alzheimer's disease. Eur J Med Chem, Volume 149, 2018";ChEMBL
MM473564;MM473564;O=C(/C(=C/c1ccccc1Cl)c1cccc(C(F)(F)F)c1)N1CCN(c2ncccn2)CC1;XHSWFGBMBABMRB-CAPFRKAQSA-N;472.9;5.04;;;;;BBB;EPAM;25;0;"<a href=https://www.ebi.ac.uk/chembl/assay_report_card/CHEMBL4197900/  target=_blank>CHEMBL4197900</a>";;;;;;;;;-4.82;;;;;;;;;;;;"Fang Y, Xia W, Cheng B, Hua P, Zhou H, Gu Q, Xu J.: Design, synthesis, and biological evaluation of compounds with a new scaffold as anti-neuroinflammatory agents for the treatment of Alzheimer's disease. Eur J Med Chem, Volume 149, 2018";ChEMBL
MM473539;MM473539;COc1ccc2c(c1)C(=NN1CCCCC1)C(=O)N2;OVELLXROARQHJT-UHFFFAOYSA-N;259.31;1.84;;;;;BBB;EPAM;25;0;"<a href=https://www.ebi.ac.uk/chembl/assay_report_card/CHEMBL4192183/  target=_blank>CHEMBL4192183</a>";;;;;;;;;-4.97;;;;;;;;;;;;"Salado IG, Zaldivar-Diez J, Sebastián-Pérez V, Li L, Geiger L, González S, Campillo NE, Gil C, Morales AV, Perez DI, Martinez A.: Leucine rich repeat kinase 2 (LRRK2) inhibitors based on indolinone scaffold: Potential pro-neurogenic agents. Eur J Med Chem, Volume 138, 2017";ChEMBL
MM474338;MM474338;COc1ccc(Cn2cc(C(=O)NCCNc3c4c(nc5cc(Cl)ccc35)CCCC4)c(=O)c3ccccc32)cc1;DTAVPFOKFGJGTE-UHFFFAOYSA-N;567.09;5.98;;;;;BBB;EPAM;25;0;"<a href=https://www.ebi.ac.uk/chembl/assay_report_card/CHEMBL4198703/  target=_blank>CHEMBL4198703</a>";;;;;;;;;-5.63;;;;;;;;;;;;"Hepnarova V, Korabecny J, Matouskova L, Jost P, Muckova L, Hrabinova M, Vykoukalova N, Kerhartova M, Kucera T, Dolezal R, Nepovimova E, Spilovska K, Mezeiova E, Pham NL, Jun D, Staud F, Kaping D, Kuca K, Soukup O.: The concept of hybrid molecules of tacrine and benzyl quinolone carboxylic acid (BQCA) as multifunctional agents for Alzheimer's disease. Eur J Med Chem, Volume 150, 2018";ChEMBL
MM474331;MM474331;C#CCN(C)CCCCOc1ccc2ccc(=O)oc2c1;QYIDTLNEEJCIJR-UHFFFAOYSA-N;285.34;2.52;;;;;BBB;EPAM;25;0;"<a href=https://www.ebi.ac.uk/chembl/assay_report_card/CHEMBL4192765/  target=_blank>CHEMBL4192765</a>";;;;;;;;;-5.05;;;;;;;;;;;;"Yang HL, Cai P, Liu QH, Yang XL, Li F, Wang J, Wu JJ, Wang XB, Kong LY.: Design, synthesis and evaluation of coumarin-pargyline hybrids as novel dual inhibitors of monoamine oxidases and amyloid-β aggregation for the treatment of Alzheimer's disease. Eur J Med Chem, Volume 138, 2017";ChEMBL
MM473573;MM473573;Cc1ncc(CO)c(/C=N/NC(=O)c2ccc(NC(=O)CC[C@@H](C)[C@H]3CC[C@H]4[C@@H]5[C@H](O)C[C@@H]6C[C@H](O)CC[C@]6(C)[C@H]5C[C@H](O)[C@]34C)cc2)c1O;MSCFUEIDOUGRSP-GFOQSLNHSA-N;690.88;4.67;;;;;BBB;EPAM;25;0;"<a href=https://www.ebi.ac.uk/chembl/assay_report_card/CHEMBL4198452/  target=_blank>CHEMBL4198452</a>";;;;;;;;;-5.66;;;;;;;;;;;;"D'Acunto CW, Kaplánek R, Gbelcová H, Kejík Z, Bříza T, Vasina L, Havlík M, Ruml T, Král V.: Metallomics for Alzheimer's disease treatment: Use of new generation of chelators combining metal-cation binding and transport properties. Eur J Med Chem, Volume 150, 2018";ChEMBL
MM473540;MM473540;O=C1Nc2ccc(Cl)cc2C1=NN1CCOCC1;YNRWWXIQNOMIBW-UHFFFAOYSA-N;265.7;1.33;;;;;BBB;EPAM;25;0;"<a href=https://www.ebi.ac.uk/chembl/assay_report_card/CHEMBL4192183/  target=_blank>CHEMBL4192183</a>";;;;;;;;;-4.91;;;;;;;;;;;;"Salado IG, Zaldivar-Diez J, Sebastián-Pérez V, Li L, Geiger L, González S, Campillo NE, Gil C, Morales AV, Perez DI, Martinez A.: Leucine rich repeat kinase 2 (LRRK2) inhibitors based on indolinone scaffold: Potential pro-neurogenic agents. Eur J Med Chem, Volume 138, 2017";ChEMBL
MM471452;MM471452;COc1cc(NC(=S)NCCCn2cncc2C)ccc1Oc1ccc(N2CCNCC2)cc1;YNZRXVLLUXSZGB-UHFFFAOYSA-N;480.64;3.78;145973024;;;CHEMBL4215483;BBB;EPAM;25;0;"ph = 7.4, <a href=https://www.ebi.ac.uk/chembl/assay_report_card/CHEMBL4188044/  target=_blank>CHEMBL4188044</a>";;;;;;;;;-5.6;;;;;;;;;;;;"Ngo VTH, Hoang VH, Tran PT, Ann J, Cui M, Park G, Choi S, Lee J, Kim H, Ha HJ, Choi K, Kim YH, Lee J.: Potent human glutaminyl cyclase inhibitors as potential anti-Alzheimer's agents: Structure-activity relationship study of Arg-mimetic region. Bioorg Med Chem, Volume 26 (5), 2018";ChEMBL
MM473575;MM473575;Cc1ncc(CO)c(/C=N/Nc2nncc3ccccc23)c1O;CPPSCNDSPRUBFP-UFWORHAWSA-N;309.33;1.98;;;;;BBB;EPAM;25;0;"<a href=https://www.ebi.ac.uk/chembl/assay_report_card/CHEMBL4198452/  target=_blank>CHEMBL4198452</a>";;;;;;;;;-5.11;;;;;;;;;;;;"D'Acunto CW, Kaplánek R, Gbelcová H, Kejík Z, Bříza T, Vasina L, Havlík M, Ruml T, Král V.: Metallomics for Alzheimer's disease treatment: Use of new generation of chelators combining metal-cation binding and transport properties. Eur J Med Chem, Volume 150, 2018";ChEMBL
MM471446;MM471446;COc1cc(NC(=S)NCCCn2cncc2C)ccc1OCCC1CCN(CCO)CC1;DBZBUYYDHCFRPY-UHFFFAOYSA-N;475.66;3.05;145974886;;;CHEMBL4215626;BBB;EPAM;25;0;"ph = 7.4, <a href=https://www.ebi.ac.uk/chembl/assay_report_card/CHEMBL4188044/  target=_blank>CHEMBL4188044</a>";;;;;;;;;-6.7;;;;;;;;;;;;"Ngo VTH, Hoang VH, Tran PT, Ann J, Cui M, Park G, Choi S, Lee J, Kim H, Ha HJ, Choi K, Kim YH, Lee J.: Potent human glutaminyl cyclase inhibitors as potential anti-Alzheimer's agents: Structure-activity relationship study of Arg-mimetic region. Bioorg Med Chem, Volume 26 (5), 2018";ChEMBL
MM473553;MM473553;COc1ccccc1/C=C(/C(=O)N1CCN(c2ncccn2)CC1)c1ccccc1;GCWXVEVWQIYJRK-DYTRJAOYSA-N;400.48;3.37;;;;;BBB;EPAM;25;0;"<a href=https://www.ebi.ac.uk/chembl/assay_report_card/CHEMBL4197900/  target=_blank>CHEMBL4197900</a>";;;;;;;;;-4.91;;;;;;;;;;;;"Fang Y, Xia W, Cheng B, Hua P, Zhou H, Gu Q, Xu J.: Design, synthesis, and biological evaluation of compounds with a new scaffold as anti-neuroinflammatory agents for the treatment of Alzheimer's disease. Eur J Med Chem, Volume 149, 2018";ChEMBL
MM471449;MM471449;COc1cc(NC(=S)NCCCn2cncc2C)ccc1OCC(=O)N1CCN(CCN)CC1;HBQOJJRCAHBRHE-UHFFFAOYSA-N;489.65;1.06;145973969;;;CHEMBL4216476;BBB;EPAM;25;0;"ph = 7.4, <a href=https://www.ebi.ac.uk/chembl/assay_report_card/CHEMBL4188044/  target=_blank>CHEMBL4188044</a>";;;;;;;;;-10;;;;;;;;;;;;"Ngo VTH, Hoang VH, Tran PT, Ann J, Cui M, Park G, Choi S, Lee J, Kim H, Ha HJ, Choi K, Kim YH, Lee J.: Potent human glutaminyl cyclase inhibitors as potential anti-Alzheimer's agents: Structure-activity relationship study of Arg-mimetic region. Bioorg Med Chem, Volume 26 (5), 2018";ChEMBL
MM471442;MM471442;COc1cc(NC(=S)NCCCn2cncc2C)ccc1OCCCCN1CCN(CCO)CC1;SJXMYBSNYGXPAD-UHFFFAOYSA-N;504.7;2.35;145972129;;;CHEMBL4216611;BBB;EPAM;25;0;"ph = 7.4, <a href=https://www.ebi.ac.uk/chembl/assay_report_card/CHEMBL4188044/  target=_blank>CHEMBL4188044</a>";;;;;;;;;-8.7;;;;;;;;;;;;"Ngo VTH, Hoang VH, Tran PT, Ann J, Cui M, Park G, Choi S, Lee J, Kim H, Ha HJ, Choi K, Kim YH, Lee J.: Potent human glutaminyl cyclase inhibitors as potential anti-Alzheimer's agents: Structure-activity relationship study of Arg-mimetic region. Bioorg Med Chem, Volume 26 (5), 2018";ChEMBL
MM474678;MM474678;CCCc1nn(C)c2c(=O)[nH]c(-c3cc(-c4ccc(C(=O)NO)cc4)ccc3OCC)nc12;CZQXXVREHYMCRZ-UHFFFAOYSA-N;447.5;3.46;;;;;BBB;EPAM;25;0;"<a href=https://www.ebi.ac.uk/chembl/assay_report_card/CHEMBL4198925/  target=_blank>CHEMBL4198925</a>";;;;;;;;;-5.57;;;;;;;;;;;;"Rabal O, Sánchez-Arias JA, Cuadrado-Tejedor M, de Miguel I, Pérez-González M, García-Barroso C, Ugarte A, Estella-Hermoso de Mendoza A, Sáez E, Espelosin M, Ursua S, Haizhong T, Wei W, Musheng X, Garcia-Osta A, Oyarzabal J.: Design, synthesis, biological evaluation and in vivo testing of dual phosphodiesterase 5 (PDE5) and histone deacetylase 6 (HDAC6)-selective inhibitors for the treatment of Alzheimer's disease. Eur J Med Chem, Volume 150, 2018";ChEMBL
MM474333;MM474333;COc1ccc(Cn2cc(C(=O)NCCCNc3c4c(nc5ccc(OC)cc35)CCCC4)c(=O)c3ccccc32)cc1;NAVQOCQBNUXPCV-UHFFFAOYSA-N;576.7;5.73;;;;;BBB;EPAM;25;0;"<a href=https://www.ebi.ac.uk/chembl/assay_report_card/CHEMBL4198703/  target=_blank>CHEMBL4198703</a>";;;;;;;;;-5.31;;;;;;;;;;;;"Hepnarova V, Korabecny J, Matouskova L, Jost P, Muckova L, Hrabinova M, Vykoukalova N, Kerhartova M, Kucera T, Dolezal R, Nepovimova E, Spilovska K, Mezeiova E, Pham NL, Jun D, Staud F, Kaping D, Kuca K, Soukup O.: The concept of hybrid molecules of tacrine and benzyl quinolone carboxylic acid (BQCA) as multifunctional agents for Alzheimer's disease. Eur J Med Chem, Volume 150, 2018";ChEMBL
MM471445;MM471445;COc1cc(NC(=S)NCCCn2cncc2C)ccc1OCCCCN1CCN(CCN)CC1;JIPDKNZYSVBKGQ-UHFFFAOYSA-N;503.72;2.31;145973082;;;CHEMBL4217140;BBB;EPAM;25;0;"ph = 7.4, <a href=https://www.ebi.ac.uk/chembl/assay_report_card/CHEMBL4188044/  target=_blank>CHEMBL4188044</a>";;;;;;;;;-10;;;;;;;;;;;;"Ngo VTH, Hoang VH, Tran PT, Ann J, Cui M, Park G, Choi S, Lee J, Kim H, Ha HJ, Choi K, Kim YH, Lee J.: Potent human glutaminyl cyclase inhibitors as potential anti-Alzheimer's agents: Structure-activity relationship study of Arg-mimetic region. Bioorg Med Chem, Volume 26 (5), 2018";ChEMBL
MM474334;MM474334;COc1ccc(Cn2cc(C(=O)NCCCCCCCNc3c4c(nc5ccc(OC)cc35)CCCC4)c(=O)c3ccccc32)cc1;SGRUENDUBYUMQG-UHFFFAOYSA-N;632.81;7.29;;;;;BBB;EPAM;25;0;"<a href=https://www.ebi.ac.uk/chembl/assay_report_card/CHEMBL4198703/  target=_blank>CHEMBL4198703</a>";;;;;;;;;-5.03;;;;;;;;;;;;"Hepnarova V, Korabecny J, Matouskova L, Jost P, Muckova L, Hrabinova M, Vykoukalova N, Kerhartova M, Kucera T, Dolezal R, Nepovimova E, Spilovska K, Mezeiova E, Pham NL, Jun D, Staud F, Kaping D, Kuca K, Soukup O.: The concept of hybrid molecules of tacrine and benzyl quinolone carboxylic acid (BQCA) as multifunctional agents for Alzheimer's disease. Eur J Med Chem, Volume 150, 2018";ChEMBL
MM473532;MM473532;O=C1Nc2ccccc2C1=NN1CCCCC1;CUDIZJJXEKJQAE-UHFFFAOYSA-N;229.28;1.83;;;;;BBB;EPAM;25;0;"<a href=https://www.ebi.ac.uk/chembl/assay_report_card/CHEMBL4192183/  target=_blank>CHEMBL4192183</a>";;;;;;;;;-4.82;;;;;;;;;;;;"Salado IG, Zaldivar-Diez J, Sebastián-Pérez V, Li L, Geiger L, González S, Campillo NE, Gil C, Morales AV, Perez DI, Martinez A.: Leucine rich repeat kinase 2 (LRRK2) inhibitors based on indolinone scaffold: Potential pro-neurogenic agents. Eur J Med Chem, Volume 138, 2017";ChEMBL
MM473561;MM473561;COc1ccccc1/C=C(/C(=O)N1CCN(c2ncccn2)CC1)c1cccc(C(F)(F)F)c1;NCSGZKMIYWLDEU-HEHNFIMWSA-N;468.48;4.39;;;;;BBB;EPAM;25;0;"<a href=https://www.ebi.ac.uk/chembl/assay_report_card/CHEMBL4197900/  target=_blank>CHEMBL4197900</a>";;;;;;;;;-5.01;;;;;;;;;;;;"Fang Y, Xia W, Cheng B, Hua P, Zhou H, Gu Q, Xu J.: Design, synthesis, and biological evaluation of compounds with a new scaffold as anti-neuroinflammatory agents for the treatment of Alzheimer's disease. Eur J Med Chem, Volume 149, 2018";ChEMBL
MM474675;MM474675;CCCc1nn(C)c2c(=O)[nH]c(-c3cc(Cc4ccc(C(=O)NO)cc4)ccc3OCC)nc12;GDHOIVFWRJJWNR-UHFFFAOYSA-N;461.52;3.38;;;;;BBB;EPAM;25;0;"<a href=https://www.ebi.ac.uk/chembl/assay_report_card/CHEMBL4198925/  target=_blank>CHEMBL4198925</a>";;;;;;;;;-5.67;;;;;;;;;;;;"Rabal O, Sánchez-Arias JA, Cuadrado-Tejedor M, de Miguel I, Pérez-González M, García-Barroso C, Ugarte A, Estella-Hermoso de Mendoza A, Sáez E, Espelosin M, Ursua S, Haizhong T, Wei W, Musheng X, Garcia-Osta A, Oyarzabal J.: Design, synthesis, biological evaluation and in vivo testing of dual phosphodiesterase 5 (PDE5) and histone deacetylase 6 (HDAC6)-selective inhibitors for the treatment of Alzheimer's disease. Eur J Med Chem, Volume 150, 2018";ChEMBL
MM471453;MM471453;COc1cc(NC(=S)NCCCn2cncc2C)ccc1Oc1ccc(C2=CCNCC2)cc1;NVFFMKJRLRCNIU-UHFFFAOYSA-N;477.63;4.75;145968705;;;CHEMBL4218344;BBB;EPAM;25;0;"ph = 7.4, <a href=https://www.ebi.ac.uk/chembl/assay_report_card/CHEMBL4188044/  target=_blank>CHEMBL4188044</a>";;;;;;;;;-4.9;;;;;;;;;;;;"Ngo VTH, Hoang VH, Tran PT, Ann J, Cui M, Park G, Choi S, Lee J, Kim H, Ha HJ, Choi K, Kim YH, Lee J.: Potent human glutaminyl cyclase inhibitors as potential anti-Alzheimer's agents: Structure-activity relationship study of Arg-mimetic region. Bioorg Med Chem, Volume 26 (5), 2018";ChEMBL
MM473531;MM473531;O=C1Nc2ccccc2C1=NN(c1ccccc1)c1ccccc1;YTIARQDLTLPRGG-UHFFFAOYSA-N;313.36;4.18;;;;;BBB;EPAM;25;0;"<a href=https://www.ebi.ac.uk/chembl/assay_report_card/CHEMBL4192183/  target=_blank>CHEMBL4192183</a>";;;;;;;;;-5.01;;;;;;;;;;;;"Salado IG, Zaldivar-Diez J, Sebastián-Pérez V, Li L, Geiger L, González S, Campillo NE, Gil C, Morales AV, Perez DI, Martinez A.: Leucine rich repeat kinase 2 (LRRK2) inhibitors based on indolinone scaffold: Potential pro-neurogenic agents. Eur J Med Chem, Volume 138, 2017";ChEMBL
MM473612;MM473612;COc1ccc(CCC(=O)N2CCN(Cc3ccc(O)c4ncccc34)CC2)cc1OC;KWLCSVLKPHEPJX-UHFFFAOYSA-N;435.52;3.23;145969687;;;CHEMBL4225721;BBB;EPAM;25;0;"<a href=https://www.ebi.ac.uk/chembl/assay_report_card/CHEMBL4224296/  target=_blank>CHEMBL4224296</a>";;;;;;;;;-5.01;;;;;;;;;;;;"Yang X, Cai P, Liu Q, Wu J, Yin Y, Wang X, Kong L.: Novel 8-hydroxyquinoline derivatives targeting β-amyloid aggregation, metal chelation and oxidative stress against Alzheimer's disease. Bioorg Med Chem, Volume 26 (12), 2018";ChEMBL
MM473608;MM473608;COc1ccc(C=CC(=O)N2CCN(Cc3ccc(O)c4ncccc34)CC2)cc1OC;WHHZHUYKZLAZHU-UXBLZVDNSA-N;433.51;3.32;145969243;;;CHEMBL4226059;BBB;EPAM;25;0;"<a href=https://www.ebi.ac.uk/chembl/assay_report_card/CHEMBL4224296/  target=_blank>CHEMBL4224296</a>";;;;;;;;;-5.05;;;;;;;;;;;;"Yang X, Cai P, Liu Q, Wu J, Yin Y, Wang X, Kong L.: Novel 8-hydroxyquinoline derivatives targeting β-amyloid aggregation, metal chelation and oxidative stress against Alzheimer's disease. Bioorg Med Chem, Volume 26 (12), 2018";ChEMBL
MM473611;MM473611;O=C(CCc1ccccc1Cl)N1CCN(Cc2ccc(O)c3ncccc23)CC1;KVWCKPHSPHBDCS-UHFFFAOYSA-N;409.92;3.87;145967886;;;CHEMBL4226827;BBB;EPAM;25;0;"<a href=https://www.ebi.ac.uk/chembl/assay_report_card/CHEMBL4224296/  target=_blank>CHEMBL4224296</a>";;;;;;;;;-4.96;;;;;;;;;;;;"Yang X, Cai P, Liu Q, Wu J, Yin Y, Wang X, Kong L.: Novel 8-hydroxyquinoline derivatives targeting β-amyloid aggregation, metal chelation and oxidative stress against Alzheimer's disease. Bioorg Med Chem, Volume 26 (12), 2018";ChEMBL
MM473610;MM473610;O=C(C=Cc1ccccc1Cl)N1CCN(Cc2ccc(O)c3ncccc23)CC1;FQHUSEWLRSMGOD-CSKARUKUSA-N;407.9;3.95;145970910;;;CHEMBL4227357;BBB;EPAM;25;0;"<a href=https://www.ebi.ac.uk/chembl/assay_report_card/CHEMBL4224296/  target=_blank>CHEMBL4224296</a>";;;;;;;;;-5.17;;;;;;;;;;;;"Yang X, Cai P, Liu Q, Wu J, Yin Y, Wang X, Kong L.: Novel 8-hydroxyquinoline derivatives targeting β-amyloid aggregation, metal chelation and oxidative stress against Alzheimer's disease. Bioorg Med Chem, Volume 26 (12), 2018";ChEMBL
MM473609;MM473609;O=C(C=Cc1ccc(F)cc1F)N1CCN(Cc2ccc(O)c3ncccc23)CC1;JHUCDPSMCXJYRI-VMPITWQZSA-N;409.44;3.58;145970677;;;CHEMBL4227615;BBB;EPAM;25;0;"<a href=https://www.ebi.ac.uk/chembl/assay_report_card/CHEMBL4224296/  target=_blank>CHEMBL4224296</a>";;;;;;;;;-4.73;;;;;;;;;;;;"Yang X, Cai P, Liu Q, Wu J, Yin Y, Wang X, Kong L.: Novel 8-hydroxyquinoline derivatives targeting β-amyloid aggregation, metal chelation and oxidative stress against Alzheimer's disease. Bioorg Med Chem, Volume 26 (12), 2018";ChEMBL
MM474352;MM474352;COc1ccc2c(c1)CC(=Cc1ccccc1-c1ccc3nc(N)ccc3c1)C2=O;JRVMVHDNABIRIF-MOSHPQCFSA-N;392.46;5.32;145982543;;;CHEMBL4240861;BBB;EPAM;25;0;"<a href=https://www.ebi.ac.uk/chembl/assay_report_card/CHEMBL4233927/  target=_blank>CHEMBL4233927</a>";;;;;;;;;-4.61;;;;;;;;;;;;"Gabr MT, Abdel-Raziq MS.: Structure-based design, synthesis, and evaluation of structurally rigid donepezil analogues as dual AChE and BACE-1 inhibitors. Bioorg Med Chem Lett, Volume 28 (17), 2018";ChEMBL
MM474351;MM474351;COc1ccc2c(c1)CC(=Cc1ccccc1-c1ccc3ccccc3c1)C2=O;YPSKYNKEQAAUJV-HAHDFKILSA-N;376.46;6.34;145984734;;;CHEMBL4242359;BBB;EPAM;25;0;"<a href=https://www.ebi.ac.uk/chembl/assay_report_card/CHEMBL4233927/  target=_blank>CHEMBL4233927</a>";;;;;;;;;-4.54;;;;;;;;;;;;"Gabr MT, Abdel-Raziq MS.: Structure-based design, synthesis, and evaluation of structurally rigid donepezil analogues as dual AChE and BACE-1 inhibitors. Bioorg Med Chem Lett, Volume 28 (17), 2018";ChEMBL
MM474349;MM474349;COc1ccc2c(c1)CC(=Cc1ccccc1-c1ccccc1)C2=O;YKOCNDOHGCGTRO-UYRXBGFRSA-N;326.4;5.18;145984259;;;CHEMBL4243474;BBB;EPAM;25;0;"<a href=https://www.ebi.ac.uk/chembl/assay_report_card/CHEMBL4233927/  target=_blank>CHEMBL4233927</a>";;;;;;;;;-4.57;;;;;;;;;;;;"Gabr MT, Abdel-Raziq MS.: Structure-based design, synthesis, and evaluation of structurally rigid donepezil analogues as dual AChE and BACE-1 inhibitors. Bioorg Med Chem Lett, Volume 28 (17), 2018";ChEMBL
MM474350;MM474350;COc1ccc(-c2ccccc2C=C2Cc3cc(OC)ccc3C2=O)cc1;XRCNYIUXDHNUNU-UYRXBGFRSA-N;356.42;5.19;145982814;;;CHEMBL4244803;BBB;EPAM;25;0;"<a href=https://www.ebi.ac.uk/chembl/assay_report_card/CHEMBL4233927/  target=_blank>CHEMBL4233927</a>";;;;;;;;;-4.58;;;;;;;;;;;;"Gabr MT, Abdel-Raziq MS.: Structure-based design, synthesis, and evaluation of structurally rigid donepezil analogues as dual AChE and BACE-1 inhibitors. Bioorg Med Chem Lett, Volume 28 (17), 2018";ChEMBL
MM474361;MM474361;COc1cc(C2=NN(S(=O)(=O)c3ccc(C)cc3)C(c3ccc(Cl)cc3)C2)ccc1O;MSDYDIURUKFAKP-UHFFFAOYSA-N;456.95;4.9;145979173;;;CHEMBL4279206;BBB;EPAM;25;0;"<a href=https://www.ebi.ac.uk/chembl/assay_report_card/CHEMBL4259692/  target=_blank>CHEMBL4259692</a>";;;;;;;;;-4.92;;;;;;;;;;;;"Nath C, Badavath VN, Thakur A, Ucar G, Acevedo O, Mohd Siddique MU, Jayaprakash V.: Curcumin-based pyrazoline analogues as selective inhibitors of human monoamine oxidase A. Medchemcomm, Volume 9 (7), 2018";ChEMBL
MM472876;MM472876;CN(C)CCN(CC1CCCN(C2Cc3ccccc3C2)C1)C(=O)c1ccc2cccnc2c1O;LAZSBIFVGZNGPN-UHFFFAOYSA-N;472.63;3.82;;;;;BBB;EPAM;25;0;"<a href=https://www.ebi.ac.uk/chembl/assay_report_card/CHEMBL4273376/  target=_blank>CHEMBL4273376</a>";;;;;;;;;-4.93;;;;;;;;;;;;"Knez D, Coquelle N, Pišlar A, Žakelj S, Jukič M, Sova M, Mravljak J, Nachon F, Brazzolotto X, Kos J, Colletier JP, Gobec S.: Multi-target-directed ligands for treating Alzheimer's disease: Butyrylcholinesterase inhibitors displaying antioxidant and neuroprotective activities. Eur J Med Chem, Volume 156, 2018";ChEMBL
MM474363;MM474363;CN(C)CCOc1ccc(C=C2COc3ccccc3C2=O)cc1;PEOGEDONFNSDPX-DTQAZKPQSA-N;323.39;3.29;145992136;;;CHEMBL4283770;BBB;EPAM;25;0;"<a href=https://www.ebi.ac.uk/chembl/assay_report_card/CHEMBL4262797/  target=_blank>CHEMBL4262797</a>";;;;;;;;;-4.98;;;;;;;;;;;;"Liu QH, Wu JJ, Li F, Cai P, Yang XL, Kong LY, Wang XB.: Synthesis and pharmacological evaluation of multi-functional homoisoflavonoid derivatives as potent inhibitors of monoamine oxidase B and cholinesterase for the treatment of Alzheimer's disease. Medchemcomm, Volume 8 (7), 2017";ChEMBL
MM474360;MM474360;COc1cc(C2=NNC(c3ccc(Cl)cc3)C2)ccc1O;FRZPQRYOEZFLIS-UHFFFAOYSA-N;302.76;3.49;145986363;;;CHEMBL4289477;BBB;EPAM;25;0;"<a href=https://www.ebi.ac.uk/chembl/assay_report_card/CHEMBL4259692/  target=_blank>CHEMBL4259692</a>";;;;;;;;;-4.86;;;;;;;;;;;;"Nath C, Badavath VN, Thakur A, Ucar G, Acevedo O, Mohd Siddique MU, Jayaprakash V.: Curcumin-based pyrazoline analogues as selective inhibitors of human monoamine oxidase A. Medchemcomm, Volume 9 (7), 2018";ChEMBL
MM474362;MM474362;COc1cc(C2=NN(C(=S)Nc3ccccc3)C(c3ccc(Cl)cc3)C2)ccc1O;PTMJODMVNSKPHJ-UHFFFAOYSA-N;437.95;5.6;145987332;;;CHEMBL4290556;BBB;EPAM;25;0;"<a href=https://www.ebi.ac.uk/chembl/assay_report_card/CHEMBL4259692/  target=_blank>CHEMBL4259692</a>";;;;;;;;;-5.02;;;;;;;;;;;;"Nath C, Badavath VN, Thakur A, Ucar G, Acevedo O, Mohd Siddique MU, Jayaprakash V.: Curcumin-based pyrazoline analogues as selective inhibitors of human monoamine oxidase A. Medchemcomm, Volume 9 (7), 2018";ChEMBL
MM472877;MM472877;CN(C)CCN(CC1CCCN(C2Cc3ccccc3C2)C1)C(=O)c1ccc2cccc(O)c2n1;JJYUCJIZTWRMMC-UHFFFAOYSA-N;472.63;3.82;;;;;BBB;EPAM;25;0;"<a href=https://www.ebi.ac.uk/chembl/assay_report_card/CHEMBL4273376/  target=_blank>CHEMBL4273376</a>";;;;;;;;;-4.97;;;;;;;;;;;;"Knez D, Coquelle N, Pišlar A, Žakelj S, Jukič M, Sova M, Mravljak J, Nachon F, Brazzolotto X, Kos J, Colletier JP, Gobec S.: Multi-target-directed ligands for treating Alzheimer's disease: Butyrylcholinesterase inhibitors displaying antioxidant and neuroprotective activities. Eur J Med Chem, Volume 156, 2018";ChEMBL
MM472618;MM472618;O=C(C=CC=Cc1ccc2c(c1)OCO2)N1CCCCC1;MXXWOMGUGJBKIW-YPCIICBESA-N;285.34;3;638024;;;CHEMBL43185;BBB;EPAM;25;0;"<a href=https://www.ebi.ac.uk/chembl/assay_report_card/CHEMBL2215740/  target=_blank>CHEMBL2215740</a>";;;;;;;;;-3.87;;;;;;;;;;;;"Al-Baghdadi OB, Prater NI, Van der Schyf CJ, Geldenhuys WJ.: Inhibition of monoamine oxidase by derivatives of piperine, an alkaloid from the pepper plant Piper nigrum, for possible use in Parkinson's disease. Bioorg Med Chem Lett, Volume 22 (23), 2012";ChEMBL
MM472910;MM472910;CCOC(=O)C1=C(C)Nc2nc3c(c(N)c2C1c1ccccc1OC)CCCC3;RYUHYOLRLQUVHQ-UHFFFAOYSA-N;393.49;3.95;16098497;;;CHEMBL436302;BBB;EPAM;25;0;"<a href=https://www.ebi.ac.uk/chembl/assay_report_card/CHEMBL1004514/  target=_blank>CHEMBL1004514</a>";;;;;;;;;-5.21;;;;;;;;;;;;"Marco-Contelles J, León R, de los Ríos C, Samadi A, Bartolini M, Andrisano V, Huertas O, Barril X, Luque FJ, Rodríguez-Franco MI, López B, López MG, García AG, Carreiras Mdo C, Villarroya M.: Tacripyrines, the first tacrine-dihydropyridine hybrids, as multitarget-directed ligands for the treatment of Alzheimer's disease. J Med Chem, Volume 52 (9), 2009";ChEMBL
MM473734;MM473734;CC(=O)NC(Cc1ccc(O)cc1)C(=O)N(C)C(Cc1ccccc1)C(=O)N(C)C(Cc1ccccc1)C(=O)N(C)C(Cc1ccccc1)C(N)=O;NAIFREYAABPJGJ-BQYLNSIHSA-N;705.86;3.13;44587596;;;CHEMBL444763;BBB;EPAM;25;0;"<a href=https://www.ebi.ac.uk/chembl/assay_report_card/CHEMBL1008143/  target=_blank>CHEMBL1008143</a>";;;;;;;;;-5.96;;;;;;;;;;;;"Malakoutikhah M, Teixidó M, Giralt E.: Toward an optimal blood-brain barrier shuttle by synthesis and evaluation of peptide libraries. J Med Chem, Volume 51 (16), 2008";ChEMBL
MM473650;MM473650;Cc1cc(C2CCCCC2)n(O)c(=O)c1CNC1CCCC1;IDCOEROKAMDSSY-UHFFFAOYSA-N;304.43;3.47;139553819;;;CHEMBL4448013;BBB;EPAM;25;0;"<a href=https://www.ebi.ac.uk/chembl/assay_report_card/CHEMBL4325487/  target=_blank>CHEMBL4325487</a>";;;;;;;;;-5.41;;;;;;;;;;;;"Hu L, Feng H, Zhang H, Yu S, Zhao Q, Wang W, Bao F, Ding X, Hu J, Wang M, Xu Y, Wu Z, Li X, Tang Y, Mao F, Chen X, Zhang H, Li J.: Development of Novel N-hydroxypyridone Derivatives as Potential Anti-Ischemic Stroke Agents. J Med Chem, Volume 63 (3), 2020";ChEMBL
MM473646;MM473646;Cc1cc(C2CCCCCC2)n(O)c(=O)c1;TZLFIUDATAQTCP-UHFFFAOYSA-N;221.3;2.83;155523702;;;CHEMBL4454397;BBB;EPAM;25;0;"<a href=https://www.ebi.ac.uk/chembl/assay_report_card/CHEMBL4325487/  target=_blank>CHEMBL4325487</a>";;;;;;;;;-5.35;;;;;;;;;;;;"Hu L, Feng H, Zhang H, Yu S, Zhao Q, Wang W, Bao F, Ding X, Hu J, Wang M, Xu Y, Wu Z, Li X, Tang Y, Mao F, Chen X, Zhang H, Li J.: Development of Novel N-hydroxypyridone Derivatives as Potential Anti-Ischemic Stroke Agents. J Med Chem, Volume 63 (3), 2020";ChEMBL
MM473745;MM473745;CC(=O)N(C)C(C(=O)N(C)C(Cc1ccccc1)C(=O)N(C)C(Cc1ccccc1)C(=O)N(C)C(Cc1ccccc1)C(N)=O)c1ccccc1;VINOTPQCOSNRIJ-BQYLNSIHSA-N;689.86;3.9;25034639;;;CHEMBL446765;BBB;EPAM;25;0;"<a href=https://www.ebi.ac.uk/chembl/assay_report_card/CHEMBL1008143/  target=_blank>CHEMBL1008143</a>";;;;;;;;;-6.15;;;;;;;;;;;;"Malakoutikhah M, Teixidó M, Giralt E.: Toward an optimal blood-brain barrier shuttle by synthesis and evaluation of peptide libraries. J Med Chem, Volume 51 (16), 2008";ChEMBL
MM473644;MM473644;O=c1c2ccccc2cc(C2CCCCC2)n1O;XGLJROYWAVOKFK-UHFFFAOYSA-N;243.31;3.29;139553792;;;CHEMBL4470949;BBB;EPAM;25;0;"<a href=https://www.ebi.ac.uk/chembl/assay_report_card/CHEMBL4325487/  target=_blank>CHEMBL4325487</a>";;;;;;;;;-5.35;;;;;;;;;;;;"Hu L, Feng H, Zhang H, Yu S, Zhao Q, Wang W, Bao F, Ding X, Hu J, Wang M, Xu Y, Wu Z, Li X, Tang Y, Mao F, Chen X, Zhang H, Li J.: Development of Novel N-hydroxypyridone Derivatives as Potential Anti-Ischemic Stroke Agents. J Med Chem, Volume 63 (3), 2020";ChEMBL
MM473746;MM473746;CC(=O)N(C)CC(=O)N(C)C(Cc1ccccc1)C(=O)N(C)C(Cc1ccccc1)C(=O)N(C)C(Cc1ccccc1)C(N)=O;YSZJNMVZDQHPFB-CHQNGUEUSA-N;613.76;2.16;25033929;;;CHEMBL447452;BBB;EPAM;25;0;"<a href=https://www.ebi.ac.uk/chembl/assay_report_card/CHEMBL1008143/  target=_blank>CHEMBL1008143</a>";;;;;;;;;-6.15;;;;;;;;;;;;"Malakoutikhah M, Teixidó M, Giralt E.: Toward an optimal blood-brain barrier shuttle by synthesis and evaluation of peptide libraries. J Med Chem, Volume 51 (16), 2008";ChEMBL
MM473649;MM473649;Cc1cc(C2CCCCC2)n(O)c(=O)c1I;VKCOLTGQNBYFLP-UHFFFAOYSA-N;333.17;3.05;139553636;;;CHEMBL4475444;BBB;EPAM;25;0;"<a href=https://www.ebi.ac.uk/chembl/assay_report_card/CHEMBL4325487/  target=_blank>CHEMBL4325487</a>";;;;;;;;;-5.12;;;;;;;;;;;;"Hu L, Feng H, Zhang H, Yu S, Zhao Q, Wang W, Bao F, Ding X, Hu J, Wang M, Xu Y, Wu Z, Li X, Tang Y, Mao F, Chen X, Zhang H, Li J.: Development of Novel N-hydroxypyridone Derivatives as Potential Anti-Ischemic Stroke Agents. J Med Chem, Volume 63 (3), 2020";ChEMBL
MM473740;MM473740;CC(=O)NC(Cc1ccc2ccccc2c1)C(=O)N(C)C(Cc1ccccc1)C(=O)N(C)C(Cc1ccccc1)C(=O)N(C)C(Cc1ccccc1)C(N)=O;LOVPMHIHFWTOMF-MFDNGWNGSA-N;739.92;4.58;25033636;;;CHEMBL448262;BBB;EPAM;25;0;"<a href=https://www.ebi.ac.uk/chembl/assay_report_card/CHEMBL1008143/  target=_blank>CHEMBL1008143</a>";;;;;;;;;-5.51;;;;;;;;;;;;"Malakoutikhah M, Teixidó M, Giralt E.: Toward an optimal blood-brain barrier shuttle by synthesis and evaluation of peptide libraries. J Med Chem, Volume 51 (16), 2008";ChEMBL
MM473742;MM473742;CC(=O)NC(CCc1ccccc1)C(=O)N(C)C(Cc1ccccc1)C(=O)N(C)C(Cc1ccccc1)C(=O)N(C)C(Cc1ccccc1)C(N)=O;SHMIQRLHAFSACT-ZQWQDMLBSA-N;703.88;3.82;25034642;;;CHEMBL449911;BBB;EPAM;25;0;"<a href=https://www.ebi.ac.uk/chembl/assay_report_card/CHEMBL1008143/  target=_blank>CHEMBL1008143</a>";;;;;;;;;-5.7;;;;;;;;;;;;"Malakoutikhah M, Teixidó M, Giralt E.: Toward an optimal blood-brain barrier shuttle by synthesis and evaluation of peptide libraries. J Med Chem, Volume 51 (16), 2008";ChEMBL
MM473732;MM473732;CC(=O)N1Cc2[nH]c3ccccc3c2CC1C(=O)N(C)C(Cc1ccccc1)C(=O)N(C)C(Cc1ccccc1)C(=O)N(C)C(Cc1ccccc1)C(N)=O;YYAOMEVBAPBTNQ-YKKXUYLKSA-N;740.91;4.14;25033708;;;CHEMBL451533;BBB;EPAM;25;0;"<a href=https://www.ebi.ac.uk/chembl/assay_report_card/CHEMBL1008143/  target=_blank>CHEMBL1008143</a>";;;;;;;;;-5.82;;;;;;;;;;;;"Malakoutikhah M, Teixidó M, Giralt E.: Toward an optimal blood-brain barrier shuttle by synthesis and evaluation of peptide libraries. J Med Chem, Volume 51 (16), 2008";ChEMBL
MM473645;MM473645;CCc1cc(C2CCCCC2)n(O)c(=O)c1;PRMDLTWICDZNJC-UHFFFAOYSA-N;221.3;2.7;155539656;;;CHEMBL4515882;BBB;EPAM;25;0;"<a href=https://www.ebi.ac.uk/chembl/assay_report_card/CHEMBL4325487/  target=_blank>CHEMBL4325487</a>";;;;;;;;;-5.34;;;;;;;;;;;;"Hu L, Feng H, Zhang H, Yu S, Zhao Q, Wang W, Bao F, Ding X, Hu J, Wang M, Xu Y, Wu Z, Li X, Tang Y, Mao F, Chen X, Zhang H, Li J.: Development of Novel N-hydroxypyridone Derivatives as Potential Anti-Ischemic Stroke Agents. J Med Chem, Volume 63 (3), 2020";ChEMBL
MM473731;MM473731;CC(=O)NC(Cc1cccnc1)C(=O)N(C)C(Cc1ccccc1)C(=O)N(C)C(Cc1ccccc1)C(=O)N(C)C(Cc1ccccc1)C(N)=O;YGUMHSKXMZROEM-ZYADHFCISA-N;690.85;2.82;44587597;;;CHEMBL451917;BBB;EPAM;25;0;"<a href=https://www.ebi.ac.uk/chembl/assay_report_card/CHEMBL1008143/  target=_blank>CHEMBL1008143</a>";;;;;;;;;-5.92;;;;;;;;;;;;"Malakoutikhah M, Teixidó M, Giralt E.: Toward an optimal blood-brain barrier shuttle by synthesis and evaluation of peptide libraries. J Med Chem, Volume 51 (16), 2008";ChEMBL
MM473737;MM473737;CC(=O)N1Cc2ccccc2CC1C(=O)N(C)C(Cc1ccccc1)C(=O)N(C)C(Cc1ccccc1)C(=O)N(C)C(Cc1ccccc1)C(N)=O;OYQDPZGJVJWUAT-ZQWQDMLBSA-N;701.87;3.65;25033992;;;CHEMBL452624;BBB;EPAM;25;0;"<a href=https://www.ebi.ac.uk/chembl/assay_report_card/CHEMBL1008143/  target=_blank>CHEMBL1008143</a>";;;;;;;;;-5.7;;;;;;;;;;;;"Malakoutikhah M, Teixidó M, Giralt E.: Toward an optimal blood-brain barrier shuttle by synthesis and evaluation of peptide libraries. J Med Chem, Volume 51 (16), 2008";ChEMBL
MM473647;MM473647;Cc1cc(C2CC3CCC2C3)n(O)c(=O)c1;WBXDEEFCGDIKFC-AXFHLTTASA-N;219.28;2.3;155547964;;;CHEMBL4535908;BBB;EPAM;25;0;"<a href=https://www.ebi.ac.uk/chembl/assay_report_card/CHEMBL4325487/  target=_blank>CHEMBL4325487</a>";;;;;;;;;-5.12;;;;;;;;;;;;"Hu L, Feng H, Zhang H, Yu S, Zhao Q, Wang W, Bao F, Ding X, Hu J, Wang M, Xu Y, Wu Z, Li X, Tang Y, Mao F, Chen X, Zhang H, Li J.: Development of Novel N-hydroxypyridone Derivatives as Potential Anti-Ischemic Stroke Agents. J Med Chem, Volume 63 (3), 2020";ChEMBL
MM473744;MM473744;CC(=O)N[C@@H](CC1CCCCC1)C(=O)N(C)[C@@H](Cc1ccccc1)C(=O)N(C)[C@@H](Cc1ccccc1)C(=O)N(C)[C@@H](Cc1ccccc1)C(N)=O;BRAKPYKRZBNVCF-BQYLNSIHSA-N;695.91;4.16;;;;;BBB;EPAM;25;0;"<a href=https://www.ebi.ac.uk/chembl/assay_report_card/CHEMBL1008143/  target=_blank>CHEMBL1008143</a>";;;;;;;;;-5.59;;;;;;;;;;;;"Malakoutikhah M, Teixidó M, Giralt E.: Toward an optimal blood-brain barrier shuttle by synthesis and evaluation of peptide libraries. J Med Chem, Volume 51 (16), 2008";ChEMBL
MM473648;MM473648;Cc1cc(=O)n(O)c(C2CCCCC2)c1Br;PENHHERGECTRFZ-UHFFFAOYSA-N;286.17;3.2;139553750;;;CHEMBL4552859;BBB;EPAM;25;0;"<a href=https://www.ebi.ac.uk/chembl/assay_report_card/CHEMBL4325487/  target=_blank>CHEMBL4325487</a>";;;;;;;;;-5.4;;;;;;;;;;;;"Hu L, Feng H, Zhang H, Yu S, Zhao Q, Wang W, Bao F, Ding X, Hu J, Wang M, Xu Y, Wu Z, Li X, Tang Y, Mao F, Chen X, Zhang H, Li J.: Development of Novel N-hydroxypyridone Derivatives as Potential Anti-Ischemic Stroke Agents. J Med Chem, Volume 63 (3), 2020";ChEMBL
MM471238;MM471238;O=S(=O)(/C=C/c1ccc(O)c(O)c1)CC1CCCCC1;RVRWKFIJSPCNFK-CMDGGOBGSA-N;296.39;3.06;;;;;BBB;EPAM;25;0;"<a href=https://www.ebi.ac.uk/chembl/assay_report_card/CHEMBL4348551/  target=_blank>CHEMBL4348551</a>";;;;;;;;;-5.24;;;;;;;;;;;;"Chen Y, Wu B, Hao Y, Liu Y, Zhang Z, Tian C, Ning X, Guo Y, Liu J, Wang X.: Structure-activity relationship studies of (E)-3,4-dihydroxystyryl alkyl sulfones as novel neuroprotective agents based on improved antioxidant, anti-inflammatory activities and BBB permeability. Eur J Med Chem, Volume 171, 2019";ChEMBL
MM473736;MM473736;CC(=O)NC(Cc1c[nH]c2ccccc12)C(=O)N(C)C(Cc1ccccc1)C(=O)N(C)C(Cc1ccccc1)C(=O)N(C)C(Cc1ccccc1)C(N)=O;JFUZPLBBMQMJPQ-GTKRZRNESA-N;728.89;3.91;44587595;;;CHEMBL467840;BBB;EPAM;25;0;"<a href=https://www.ebi.ac.uk/chembl/assay_report_card/CHEMBL1008143/  target=_blank>CHEMBL1008143</a>";;;;;;;;;-5.74;;;;;;;;;;;;"Malakoutikhah M, Teixidó M, Giralt E.: Toward an optimal blood-brain barrier shuttle by synthesis and evaluation of peptide libraries. J Med Chem, Volume 51 (16), 2008";ChEMBL
MM473730;MM473730;CCC(CC)C(CO)NS(=O)(=O)c1ccc(Cl)s1;PYZFRRVBPNGCBX-SECBINFHSA-N;311.86;2.48;11358855;;;CHEMBL480558;BBB;EPAM;25;0;"<a href=https://www.ebi.ac.uk/chembl/assay_report_card/CHEMBL999314/  target=_blank>CHEMBL999314</a>";;;;;;;;;-4.9;;;;;;;;;;;;"Mayer SC, Kreft AF, Harrison B, Abou-Gharbia M, Antane M, Aschmies S, Atchison K, Chlenov M, Cole DC, Comery T, Diamantidis G, Ellingboe J, Fan K, Galante R, Gonzales C, Ho DM, Hoke ME, Hu Y, Huryn D, Jain U, Jin M, Kremer K, Kubrak D, Lin M, Lu P, Magolda R, Martone R, Moore W, Oganesian A, Pangalos MN, Porte A, Reinhart P, Resnick L, Riddell DR, Sonnenberg-Reines J, Stock JR, Sun SC, Wagner E, Wang T, Woller K, Xu Z, Zaleska MM, Zeldis J, Zhang M, Zhou H, Jacobsen JS.: Discovery of begacestat, a Notch-1-sparing gamma-secretase inhibitor for the treatment of Alzheimer's disease. J Med Chem, Volume 51 (23), 2008";ChEMBL
MM472907;MM472907;CCOC(=O)C1=C(C)Nc2nc3c(c(N)c2C1c1ccc(OC)c(OC)c1)CCCC3;AAEYHJGXSUBKQJ-UHFFFAOYSA-N;423.51;3.95;42618136;;;CHEMBL491358;BBB;EPAM;25;0;"<a href=https://www.ebi.ac.uk/chembl/assay_report_card/CHEMBL1004514/  target=_blank>CHEMBL1004514</a>";;;;;;;;;-5.03;;;;;;;;;;;;"Marco-Contelles J, León R, de los Ríos C, Samadi A, Bartolini M, Andrisano V, Huertas O, Barril X, Luque FJ, Rodríguez-Franco MI, López B, López MG, García AG, Carreiras Mdo C, Villarroya M.: Tacripyrines, the first tacrine-dihydropyridine hybrids, as multitarget-directed ligands for the treatment of Alzheimer's disease. J Med Chem, Volume 52 (9), 2009";ChEMBL
MM472906;MM472906;CCOC(=O)C1=C(C)Nc2nc3c(c(N)c2C1c1cccnc1)CCCC3;ONYCNUPACZTCCG-UHFFFAOYSA-N;364.45;3.33;42618137;;;CHEMBL491359;BBB;EPAM;25;0;"<a href=https://www.ebi.ac.uk/chembl/assay_report_card/CHEMBL1004514/  target=_blank>CHEMBL1004514</a>";;;;;;;;;-5.14;;;;;;;;;;;;"Marco-Contelles J, León R, de los Ríos C, Samadi A, Bartolini M, Andrisano V, Huertas O, Barril X, Luque FJ, Rodríguez-Franco MI, López B, López MG, García AG, Carreiras Mdo C, Villarroya M.: Tacripyrines, the first tacrine-dihydropyridine hybrids, as multitarget-directed ligands for the treatment of Alzheimer's disease. J Med Chem, Volume 52 (9), 2009";ChEMBL
MM472905;MM472905;CCOC(=O)C1=C(C)Nc2nc3c(c(N)c2C1c1ccncc1)CCCC3;JYCNMGJHVNKCCF-UHFFFAOYSA-N;364.45;3.33;42618138;;;CHEMBL491360;BBB;EPAM;25;0;"<a href=https://www.ebi.ac.uk/chembl/assay_report_card/CHEMBL1004514/  target=_blank>CHEMBL1004514</a>";;;;;;;;;-5.21;;;;;;;;;;;;"Marco-Contelles J, León R, de los Ríos C, Samadi A, Bartolini M, Andrisano V, Huertas O, Barril X, Luque FJ, Rodríguez-Franco MI, López B, López MG, García AG, Carreiras Mdo C, Villarroya M.: Tacripyrines, the first tacrine-dihydropyridine hybrids, as multitarget-directed ligands for the treatment of Alzheimer's disease. J Med Chem, Volume 52 (9), 2009";ChEMBL
MM472915;MM472915;CCOC(=O)C1=C(C)Nc2nc3c(c(N)c2C1c1ccccc1C(F)(F)F)CCCC3;YPJRDGRZUYIHEH-UHFFFAOYSA-N;431.46;4.96;42618134;;;CHEMBL491561;BBB;EPAM;25;0;"<a href=https://www.ebi.ac.uk/chembl/assay_report_card/CHEMBL1004514/  target=_blank>CHEMBL1004514</a>";;;;;;;;;-5.85;;;;;;;;;;;;"Marco-Contelles J, León R, de los Ríos C, Samadi A, Bartolini M, Andrisano V, Huertas O, Barril X, Luque FJ, Rodríguez-Franco MI, López B, López MG, García AG, Carreiras Mdo C, Villarroya M.: Tacripyrines, the first tacrine-dihydropyridine hybrids, as multitarget-directed ligands for the treatment of Alzheimer's disease. J Med Chem, Volume 52 (9), 2009";ChEMBL
MM472955;MM472955;"COc1ccc(-c2nsc(/C=[N+](\[O-])C(C)(C)C)n2)cc1";VKLITGIHKAEKDZ-MFOYZWKCSA-N;291.38;2.94;;;;;BBB;EPAM;25;+1,-1;"<a href=https://www.ebi.ac.uk/chembl/assay_report_card/CHEMBL1024860/  target=_blank>CHEMBL1024860</a>";;;;;;;;;-4.9;;;;;;;;;;;;"Porcal W, Hernández P, González M, Ferreira A, Olea-Azar C, Cerecetto H, Castro A.: Heteroarylnitrones as drugs for neurodegenerative diseases: synthesis, neuroprotective properties, and free radical scavenger properties. J Med Chem, Volume 51 (19), 2008";ChEMBL
MM472956;MM472956;"CC(C)(C)c1cc(-c2nsc(/C=[N+](\[O-])C(C)(C)C)n2)cc(C(C)(C)C)c1O";GOPCJWZPWQAJQU-MSXFZWOLSA-N;389.57;5.23;;;;;BBB;EPAM;25;+1,-1;"<a href=https://www.ebi.ac.uk/chembl/assay_report_card/CHEMBL1024860/  target=_blank>CHEMBL1024860</a>";;;;;;;;;-5.35;;;;;;;;;;;;"Porcal W, Hernández P, González M, Ferreira A, Olea-Azar C, Cerecetto H, Castro A.: Heteroarylnitrones as drugs for neurodegenerative diseases: synthesis, neuroprotective properties, and free radical scavenger properties. J Med Chem, Volume 51 (19), 2008";ChEMBL
MM473735;MM473735;CC(=O)N(C)C(Cc1c[nH]c2ccccc12)C(=O)N(C)C(Cc1ccccc1)C(=O)N(C)C(Cc1ccccc1)C(=O)N(C)C(Cc1ccccc1)C(N)=O;UBLOIFUMFFKYDL-YKKXUYLKSA-N;742.92;4.25;25033993;;;CHEMBL500204;BBB;EPAM;25;0;"<a href=https://www.ebi.ac.uk/chembl/assay_report_card/CHEMBL1008143/  target=_blank>CHEMBL1008143</a>";;;;;;;;;-5.85;;;;;;;;;;;;"Malakoutikhah M, Teixidó M, Giralt E.: Toward an optimal blood-brain barrier shuttle by synthesis and evaluation of peptide libraries. J Med Chem, Volume 51 (16), 2008";ChEMBL
MM473733;MM473733;CN(C(=O)C1Cc2c([nH]c3ccccc23)CN1)C(Cc1ccccc1)C(=O)N(C)C(Cc1ccccc1)C(=O)N(C)C(Cc1ccccc1)C(N)=O;NJSDUDHRRNJCAQ-KYAVEVODSA-N;698.87;3.88;25033638;;;CHEMBL501030;BBB;EPAM;25;0;"<a href=https://www.ebi.ac.uk/chembl/assay_report_card/CHEMBL1008143/  target=_blank>CHEMBL1008143</a>";;;;;;;;;-6.22;;;;;;;;;;;;"Malakoutikhah M, Teixidó M, Giralt E.: Toward an optimal blood-brain barrier shuttle by synthesis and evaluation of peptide libraries. J Med Chem, Volume 51 (16), 2008";ChEMBL
Donepezil;MM00482;COc1cc2c(cc1OC)C(=O)C(CC1CCN(Cc3ccccc3)CC1)C2;ADEBPBSSDYVVLD-UHFFFAOYSA-N;379.5;4.36;3152;DB00843;;CHEMBL502;BBB;EPAM;25;0;"ph = 7.4, <a href=https://www.ebi.ac.uk/chembl/assay_report_card/CHEMBL3826274/  target=_blank>CHEMBL3826274</a>";;;;;;;;;-5.14;;;;;;;;;;;;"Hroch L, Benek O, Guest P, Aitken L, Soukup O, Janockova J, Musil K, Dohnal V, Dolezal R, Kuca K, Smith TK, Gunn-Moore F, Musilek K.: Design, synthesis and in vitro evaluation of benzothiazole-based ureas as potential ABAD/17β-HSD10 modulators for Alzheimer's disease treatment. Bioorg Med Chem Lett, Volume 26 (15), 2016";ChEMBL
Donepezil;MM00482;COc1cc2c(cc1OC)C(=O)C(CC1CCN(Cc3ccccc3)CC1)C2;ADEBPBSSDYVVLD-UHFFFAOYSA-N;379.5;4.36;3152;DB00843;;CHEMBL502;BBB;EPAM;25;0;"<a href=https://www.ebi.ac.uk/chembl/assay_report_card/CHEMBL4233927/  target=_blank>CHEMBL4233927</a>";;;;;;;;;-4.64;;;;;;;;;;;;"Gabr MT, Abdel-Raziq MS.: Structure-based design, synthesis, and evaluation of structurally rigid donepezil analogues as dual AChE and BACE-1 inhibitors. Bioorg Med Chem Lett, Volume 28 (17), 2018";ChEMBL
Donepezil;MM00482;COc1cc2c(cc1OC)C(=O)C(CC1CCN(Cc3ccccc3)CC1)C2;ADEBPBSSDYVVLD-UHFFFAOYSA-N;379.5;4.36;3152;DB00843;;CHEMBL502;BBB;EPAM;25;0;"<a href=https://www.ebi.ac.uk/chembl/assay_report_card/CHEMBL3418417/  target=_blank>CHEMBL3418417</a>";;;;;;;;;-4.92;;;;;;;;;;;;"Liew KF, Chan KL, Lee CY.: Blood-brain barrier permeable anticholinesterase aurones: synthesis, structure-activity relationship, and drug-like properties. Eur J Med Chem, Volume 94, 2015";ChEMBL
Donepezil;MM00482;COc1cc2c(cc1OC)C(=O)C(CC1CCN(Cc3ccccc3)CC1)C2;ADEBPBSSDYVVLD-UHFFFAOYSA-N;379.5;4.36;3152;DB00843;;CHEMBL502;BBB;EPAM;25;0;"ph = 7.4, <a href=https://www.ebi.ac.uk/chembl/assay_report_card/CHEMBL3418416/  target=_blank>CHEMBL3418416</a>";;;;;;;;;-4.55;;;;;;;;;;;;"Liew KF, Chan KL, Lee CY.: Blood-brain barrier permeable anticholinesterase aurones: synthesis, structure-activity relationship, and drug-like properties. Eur J Med Chem, Volume 94, 2015";ChEMBL
Donepezil;MM00482;COc1cc2c(cc1OC)C(=O)C(CC1CCN(Cc3ccccc3)CC1)C2;ADEBPBSSDYVVLD-UHFFFAOYSA-N;379.5;4.36;3152;DB00843;;CHEMBL502;BBB;EPAM;25;0;"<a href=https://www.ebi.ac.uk/chembl/assay_report_card/CHEMBL3878269/  target=_blank>CHEMBL3878269</a>";;;;;;;;;-5.14;;;;;;;;;;;;"Panek D, Więckowska A, Wichur T, Bajda M, Godyń J, Jończyk J, Mika K, Janockova J, Soukup O, Knez D, Korabecny J, Gobec S, Malawska B.: Design, synthesis and biological evaluation of new phthalimide and saccharin derivatives with alicyclic amines targeting cholinesterases, beta-secretase and amyloid beta aggregation. Eur J Med Chem, Volume 125, 2017";ChEMBL
Donepezil;MM00482;COc1cc2c(cc1OC)C(=O)C(CC1CCN(Cc3ccccc3)CC1)C2;ADEBPBSSDYVVLD-UHFFFAOYSA-N;379.5;4.36;3152;DB00843;;CHEMBL502;BBB;EPAM;25;0;"<a href=https://www.ebi.ac.uk/chembl/assay_report_card/CHEMBL4132647/  target=_blank>CHEMBL4132647</a>";;;;;;;;;-5.14;;;;;;;;;;;;"De Simone A, Bartolini M, Baschieri A, Apperley KYP, Chen HH, Guardigni M, Montanari S, Kobrlova T, Soukup O, Valgimigli L, Andrisano V, Keillor JW, Basso M, Milelli A.: Hydroxy-substituted trans-cinnamoyl derivatives as multifunctional tools in the context of Alzheimer's disease. Eur J Med Chem, Volume 139, 2017";ChEMBL
Donepezil;MM00482;COc1cc2c(cc1OC)C(=O)C(CC1CCN(Cc3ccccc3)CC1)C2;ADEBPBSSDYVVLD-UHFFFAOYSA-N;379.5;4.36;3152;DB00843;;CHEMBL502;BBB;EPAM;25;0;"<a href=https://www.ebi.ac.uk/chembl/assay_report_card/CHEMBL4198703/  target=_blank>CHEMBL4198703</a>";;;;;;;;;-5.17;;;;;;;;;;;;"Hepnarova V, Korabecny J, Matouskova L, Jost P, Muckova L, Hrabinova M, Vykoukalova N, Kerhartova M, Kucera T, Dolezal R, Nepovimova E, Spilovska K, Mezeiova E, Pham NL, Jun D, Staud F, Kaping D, Kuca K, Soukup O.: The concept of hybrid molecules of tacrine and benzyl quinolone carboxylic acid (BQCA) as multifunctional agents for Alzheimer's disease. Eur J Med Chem, Volume 150, 2018";ChEMBL
Donepezil;MM00482;COc1cc2c(cc1OC)C(=O)C(CC1CCN(Cc3ccccc3)CC1)C2;ADEBPBSSDYVVLD-UHFFFAOYSA-N;379.5;4.36;3152;DB00843;;CHEMBL502;BBB;EPAM;25;0;"<a href=https://www.ebi.ac.uk/chembl/assay_report_card/CHEMBL4198704/  target=_blank>CHEMBL4198704</a>";;;;;;;;;-5.05;;;;;;;;;;;;"Hepnarova V, Korabecny J, Matouskova L, Jost P, Muckova L, Hrabinova M, Vykoukalova N, Kerhartova M, Kucera T, Dolezal R, Nepovimova E, Spilovska K, Mezeiova E, Pham NL, Jun D, Staud F, Kaping D, Kuca K, Soukup O.: The concept of hybrid molecules of tacrine and benzyl quinolone carboxylic acid (BQCA) as multifunctional agents for Alzheimer's disease. Eur J Med Chem, Volume 150, 2018";ChEMBL
MM473743;MM473743;CC(=O)N(C)[C@@H](CC1CCCCC1)C(=O)N(C)[C@@H](Cc1ccccc1)C(=O)N(C)[C@@H](Cc1ccccc1)C(=O)N(C)[C@@H](Cc1ccccc1)C(N)=O;DUCBOEVJYHUVRG-ZQWQDMLBSA-N;709.93;4.5;;;;;BBB;EPAM;25;0;"<a href=https://www.ebi.ac.uk/chembl/assay_report_card/CHEMBL1008143/  target=_blank>CHEMBL1008143</a>";;;;;;;;;-5.72;;;;;;;;;;;;"Malakoutikhah M, Teixidó M, Giralt E.: Toward an optimal blood-brain barrier shuttle by synthesis and evaluation of peptide libraries. J Med Chem, Volume 51 (16), 2008";ChEMBL
MM473741;MM473741;CC(=O)N(C)C(CCc1ccccc1)C(=O)N(C)C(Cc1ccccc1)C(=O)N(C)C(Cc1ccccc1)C(=O)N(C)C(Cc1ccccc1)C(N)=O;JQRQETGICQPCPN-GTKRZRNESA-N;717.91;4.16;25033635;;;CHEMBL508502;BBB;EPAM;25;0;"<a href=https://www.ebi.ac.uk/chembl/assay_report_card/CHEMBL1008143/  target=_blank>CHEMBL1008143</a>";;;;;;;;;-5.74;;;;;;;;;;;;"Malakoutikhah M, Teixidó M, Giralt E.: Toward an optimal blood-brain barrier shuttle by synthesis and evaluation of peptide libraries. J Med Chem, Volume 51 (16), 2008";ChEMBL
MM474393;MM474393;COc1cc2c3cc1Oc1c(O)c(OC)cc4c1C(Cc1ccc(cc1)Oc1cc(ccc1O)CC3N(C)CC2)N(C)CC4;LFFQVHXIFJLJSP-IZLXSDGUSA-N;594.71;6.56;362574;;;CHEMBL508781;BBB;EPAM;25;0;"<a href=https://www.ebi.ac.uk/chembl/assay_report_card/CHEMBL4334136/  target=_blank>CHEMBL4334136</a>";;;;;;;;;-5.74;;;;;;;;;;;;"Hostalkova A, Marikova J, Opletal L, Korabecny J, Hulcova D, Kunes J, Novakova L, Perez DI, Jun D, Kucera T, Andrisano V, Siatka T, Cahlikova L.: Isoquinoline Alkaloids from Berberis vulgaris as Potential Lead Compounds for the Treatment of Alzheimer's Disease. J Nat Prod, Volume 82 (2), 2019";ChEMBL
MM473738;MM473738;CN(C(=O)C1Cc2ccccc2CN1)C(Cc1ccccc1)C(=O)N(C)C(Cc1ccccc1)C(=O)N(C)C(Cc1ccccc1)C(N)=O;SNDUVPZVUFMQRH-ZYADHFCISA-N;659.83;3.4;25033637;;;CHEMBL510802;BBB;EPAM;25;0;"<a href=https://www.ebi.ac.uk/chembl/assay_report_card/CHEMBL1008143/  target=_blank>CHEMBL1008143</a>";;;;;;;;;-5.66;;;;;;;;;;;;"Malakoutikhah M, Teixidó M, Giralt E.: Toward an optimal blood-brain barrier shuttle by synthesis and evaluation of peptide libraries. J Med Chem, Volume 51 (16), 2008";ChEMBL
MM473739;MM473739;CC(=O)N(C)C(Cc1ccc2ccccc2c1)C(=O)N(C)C(Cc1ccccc1)C(=O)N(C)C(Cc1ccccc1)C(=O)N(C)C(Cc1ccccc1)C(N)=O;PCDKMQDOJIYVAJ-IWWWZYECSA-N;753.94;4.92;25033991;;;CHEMBL511002;BBB;EPAM;25;0;"<a href=https://www.ebi.ac.uk/chembl/assay_report_card/CHEMBL1008143/  target=_blank>CHEMBL1008143</a>";;;;;;;;;-5.89;;;;;;;;;;;;"Malakoutikhah M, Teixidó M, Giralt E.: Toward an optimal blood-brain barrier shuttle by synthesis and evaluation of peptide libraries. J Med Chem, Volume 51 (16), 2008";ChEMBL
MM471829;MM471829;COc1ccc2nc3cc(Cl)ccc3c(Nc3ccc(N4CCN(C)CC4)cc3)c2c1;NMDDEXFRYBASBH-UHFFFAOYSA-N;432.96;5.55;25141277;;;CHEMBL512898;BBB;EPAM;25;0;"ph = 7.4, <a href=https://www.ebi.ac.uk/chembl/assay_report_card/CHEMBL2155231/  target=_blank>CHEMBL2155231</a>";;;;;;;;;-5.09;;;;;;;;;;;;"Nguyen T, Sakasegawa Y, Doh-Ura K, Go ML.: Anti-prion activities and drug-like potential of functionalized quinacrine analogs with basic phenyl residues at the 9-amino position. Eur J Med Chem, Volume 46 (7), 2011";ChEMBL
Piroxicam;MM00682;CN1C(C(=O)Nc2ccccn2)=C(O)c2ccccc2S1(=O)=O;QYSPLQLAKJAUJT-UHFFFAOYSA-N;331.35;1.58;54676228;DB00554;;CHEMBL527;BBB;EPAM;25;0;"<a href=https://www.ebi.ac.uk/chembl/assay_report_card/CHEMBL3384483/  target=_blank>CHEMBL3384483</a>";;;;;;;;;-5.92;;;;;;;;;;;;"Lan JS, Xie SS, Li SY, Pan LF, Wang XB, Kong LY.: Design, synthesis and evaluation of novel tacrine-(β-carboline) hybrids as multifunctional agents for the treatment of Alzheimer's disease. Bioorg Med Chem, Volume 22 (21), 2014";ChEMBL
Piroxicam;MM00682;CN1C(C(=O)Nc2ccccn2)=C(O)c2ccccc2S1(=O)=O;QYSPLQLAKJAUJT-UHFFFAOYSA-N;331.35;1.58;54676228;DB00554;;CHEMBL527;BBB;EPAM;25;0;"<a href=https://www.ebi.ac.uk/chembl/assay_report_card/CHEMBL3406060/  target=_blank>CHEMBL3406060</a>";;;;;;;;;-5.6;;;;;;;;;;;;"Sang Z, Li Y, Qiang X, Xiao G, Liu Q, Tan Z, Deng Y.: Multifunctional scutellarin-rivastigmine hybrids with cholinergic, antioxidant, biometal chelating and neuroprotective properties for the treatment of Alzheimer's disease. Bioorg Med Chem, Volume 23 (4), 2015";ChEMBL
Piroxicam;MM00682;CN1C(C(=O)Nc2ccccn2)=C(O)c2ccccc2S1(=O)=O;QYSPLQLAKJAUJT-UHFFFAOYSA-N;331.35;1.58;54676228;DB00554;;CHEMBL527;BBB;EPAM;25;0;"<a href=https://www.ebi.ac.uk/chembl/assay_report_card/CHEMBL3406061/  target=_blank>CHEMBL3406061</a>";;;;;;;;;-6.14;;;;;;;;;;;;"Sang Z, Li Y, Qiang X, Xiao G, Liu Q, Tan Z, Deng Y.: Multifunctional scutellarin-rivastigmine hybrids with cholinergic, antioxidant, biometal chelating and neuroprotective properties for the treatment of Alzheimer's disease. Bioorg Med Chem, Volume 23 (4), 2015";ChEMBL
Piroxicam;MM00682;CN1C(C(=O)Nc2ccccn2)=C(O)c2ccccc2S1(=O)=O;QYSPLQLAKJAUJT-UHFFFAOYSA-N;331.35;1.58;54676228;DB00554;;CHEMBL527;BBB;EPAM;25;0;"ph = 7.4, <a href=https://www.ebi.ac.uk/chembl/assay_report_card/CHEMBL3767515/  target=_blank>CHEMBL3767515</a>";;;;;;;;;-5.88;;;;;;;;;;;;"Xie SS, Lan JS, Wang X, Wang ZM, Jiang N, Li F, Wu JJ, Wang J, Kong LY.: Design, synthesis and biological evaluation of novel donepezil-coumarin hybrids as multi-target agents for the treatment of Alzheimer's disease. Bioorg Med Chem, Volume 24 (7), 2016";ChEMBL
Piroxicam;MM00682;CN1C(C(=O)Nc2ccccn2)=C(O)c2ccccc2S1(=O)=O;QYSPLQLAKJAUJT-UHFFFAOYSA-N;331.35;1.58;54676228;DB00554;;CHEMBL527;BBB;EPAM;25;0;"ph = 7.4, <a href=https://www.ebi.ac.uk/chembl/assay_report_card/CHEMBL3767688/  target=_blank>CHEMBL3767688</a>";;;;;;;;;-5.6;;;;;;;;;;;;"Xie SS, Lan JS, Wang X, Wang ZM, Jiang N, Li F, Wu JJ, Wang J, Kong LY.: Design, synthesis and biological evaluation of novel donepezil-coumarin hybrids as multi-target agents for the treatment of Alzheimer's disease. Bioorg Med Chem, Volume 24 (7), 2016";ChEMBL
Piroxicam;MM00682;CN1C(C(=O)Nc2ccccn2)=C(O)c2ccccc2S1(=O)=O;QYSPLQLAKJAUJT-UHFFFAOYSA-N;331.35;1.58;54676228;DB00554;;CHEMBL527;BBB;EPAM;25;0;"<a href=https://www.ebi.ac.uk/chembl/assay_report_card/CHEMBL3859151/  target=_blank>CHEMBL3859151</a>";;;;;;;;;-5.6;;;;;;;;;;;;"Sola I, Artigas A, Taylor MC, Pérez-Areales FJ, Viayna E, Clos MV, Pérez B, Wright CW, Kelly JM, Muñoz-Torrero D.: Synthesis and biological evaluation of N-cyanoalkyl-, N-aminoalkyl-, and N-guanidinoalkyl-substituted 4-aminoquinoline derivatives as potent, selective, brain permeable antitrypanosomal agents. Bioorg Med Chem, Volume 24 (21), 2016";ChEMBL
Piroxicam;MM00682;CN1C(C(=O)Nc2ccccn2)=C(O)c2ccccc2S1(=O)=O;QYSPLQLAKJAUJT-UHFFFAOYSA-N;331.35;1.58;54676228;DB00554;;CHEMBL527;BBB;EPAM;25;0;"<a href=https://www.ebi.ac.uk/chembl/assay_report_card/CHEMBL3874684/  target=_blank>CHEMBL3874684</a>";;;;;;;;;-6.14;;;;;;;;;;;;"Li Y, Qiang X, Luo L, Yang X, Xiao G, Zheng Y, Cao Z, Sang Z, Su F, Deng Y.: Multitarget drug design strategy against Alzheimer's disease: Homoisoflavonoid Mannich base derivatives serve as acetylcholinesterase and monoamine oxidase B dual inhibitors with multifunctional properties. Bioorg Med Chem, Volume 25 (2), 2017";ChEMBL
Piroxicam;MM00682;CN1C(C(=O)Nc2ccccn2)=C(O)c2ccccc2S1(=O)=O;QYSPLQLAKJAUJT-UHFFFAOYSA-N;331.35;1.58;54676228;DB00554;;CHEMBL527;BBB;EPAM;25;0;"<a href=https://www.ebi.ac.uk/chembl/assay_report_card/CHEMBL3874685/  target=_blank>CHEMBL3874685</a>";;;;;;;;;-5.6;;;;;;;;;;;;"Li Y, Qiang X, Luo L, Yang X, Xiao G, Zheng Y, Cao Z, Sang Z, Su F, Deng Y.: Multitarget drug design strategy against Alzheimer's disease: Homoisoflavonoid Mannich base derivatives serve as acetylcholinesterase and monoamine oxidase B dual inhibitors with multifunctional properties. Bioorg Med Chem, Volume 25 (2), 2017";ChEMBL
Piroxicam;MM00682;CN1C(C(=O)Nc2ccccn2)=C(O)c2ccccc2S1(=O)=O;QYSPLQLAKJAUJT-UHFFFAOYSA-N;331.35;1.58;54676228;DB00554;;CHEMBL527;BBB;EPAM;25;0;"<a href=https://www.ebi.ac.uk/chembl/assay_report_card/CHEMBL3876767/  target=_blank>CHEMBL3876767</a>";;;;;;;;;-6.08;;;;;;;;;;;;"Xiao G, Li Y, Qiang X, Xu R, Zheng Y, Cao Z, Luo L, Yang X, Sang Z, Su F, Deng Y.: Design, synthesis and biological evaluation of 4'-aminochalcone-rivastigmine hybrids as multifunctional agents for the treatment of Alzheimer's disease. Bioorg Med Chem, Volume 25 (3), 2017";ChEMBL
Piroxicam;MM00682;CN1C(C(=O)Nc2ccccn2)=C(O)c2ccccc2S1(=O)=O;QYSPLQLAKJAUJT-UHFFFAOYSA-N;331.35;1.58;54676228;DB00554;;CHEMBL527;BBB;EPAM;25;0;"<a href=https://www.ebi.ac.uk/chembl/assay_report_card/CHEMBL3994367/  target=_blank>CHEMBL3994367</a>";;;;;;;;;-6.08;;;;;;;;;;;;"Luo L, Li Y, Qiang X, Cao Z, Xu R, Yang X, Xiao G, Song Q, Tan Z, Deng Y.: Multifunctional thioxanthone derivatives with acetylcholinesterase, monoamine oxidases and β-amyloid aggregation inhibitory activities as potential agents against Alzheimer's disease. Bioorg Med Chem, Volume 25 (6), 2017";ChEMBL
Piroxicam;MM00682;CN1C(C(=O)Nc2ccccn2)=C(O)c2ccccc2S1(=O)=O;QYSPLQLAKJAUJT-UHFFFAOYSA-N;331.35;1.58;54676228;DB00554;;CHEMBL527;BBB;EPAM;25;0;"ph = 7.4, <a href=https://www.ebi.ac.uk/chembl/assay_report_card/CHEMBL3994366/  target=_blank>CHEMBL3994366</a>";;;;;;;;;-5.6;;;;;;;;;;;;"Luo L, Li Y, Qiang X, Cao Z, Xu R, Yang X, Xiao G, Song Q, Tan Z, Deng Y.: Multifunctional thioxanthone derivatives with acetylcholinesterase, monoamine oxidases and β-amyloid aggregation inhibitory activities as potential agents against Alzheimer's disease. Bioorg Med Chem, Volume 25 (6), 2017";ChEMBL
Piroxicam;MM00682;CN1C(C(=O)Nc2ccccn2)=C(O)c2ccccc2S1(=O)=O;QYSPLQLAKJAUJT-UHFFFAOYSA-N;331.35;1.58;54676228;DB00554;;CHEMBL527;BBB;EPAM;25;0;"<a href=https://www.ebi.ac.uk/chembl/assay_report_card/CHEMBL4224295/  target=_blank>CHEMBL4224295</a>";;;;;;;;;-5.6;;;;;;;;;;;;"Yang X, Cai P, Liu Q, Wu J, Yin Y, Wang X, Kong L.: Novel 8-hydroxyquinoline derivatives targeting β-amyloid aggregation, metal chelation and oxidative stress against Alzheimer's disease. Bioorg Med Chem, Volume 26 (12), 2018";ChEMBL
Piroxicam;MM00682;CN1C(C(=O)Nc2ccccn2)=C(O)c2ccccc2S1(=O)=O;QYSPLQLAKJAUJT-UHFFFAOYSA-N;331.35;1.58;54676228;DB00554;;CHEMBL527;BBB;EPAM;25;0;"<a href=https://www.ebi.ac.uk/chembl/assay_report_card/CHEMBL4224296/  target=_blank>CHEMBL4224296</a>";;;;;;;;;-5.74;;;;;;;;;;;;"Yang X, Cai P, Liu Q, Wu J, Yin Y, Wang X, Kong L.: Novel 8-hydroxyquinoline derivatives targeting β-amyloid aggregation, metal chelation and oxidative stress against Alzheimer's disease. Bioorg Med Chem, Volume 26 (12), 2018";ChEMBL
Piroxicam;MM00682;CN1C(C(=O)Nc2ccccn2)=C(O)c2ccccc2S1(=O)=O;QYSPLQLAKJAUJT-UHFFFAOYSA-N;331.35;1.58;54676228;DB00554;;CHEMBL527;BBB;EPAM;25;0;"<a href=https://www.ebi.ac.uk/chembl/assay_report_card/CHEMBL3383778/  target=_blank>CHEMBL3383778</a>";;;;;;;;;-5.77;;;;;;;;;;;;"Sola I, Artigas A, Taylor MC, Gbedema SY, Pérez B, Clos MV, Wright CW, Kelly JM, Muñoz-Torrero D.: Synthesis and antiprotozoal activity of oligomethylene- and  p-phenylene-bis(methylene)-linked bis(+)-huprines. Bioorg Med Chem Lett, Volume 24 (23), 2014";ChEMBL
Piroxicam;MM00682;CN1C(C(=O)Nc2ccccn2)=C(O)c2ccccc2S1(=O)=O;QYSPLQLAKJAUJT-UHFFFAOYSA-N;331.35;1.58;54676228;DB00554;;CHEMBL527;BBB;EPAM;25;0;"<a href=https://www.ebi.ac.uk/chembl/assay_report_card/CHEMBL3396583/  target=_blank>CHEMBL3396583</a>";;;;;;;;;-5.76;;;;;;;;;;;;"Huang M, Xie SS, Jiang N, Lan JS, Kong LY, Wang XB.: Multifunctional coumarin derivatives: monoamine oxidase B (MAO-B) inhibition, anti-β-amyloid (Aβ) aggregation and metal chelation properties against Alzheimer's disease. Bioorg Med Chem Lett, Volume 25 (3), 2015";ChEMBL
Piroxicam;MM00682;CN1C(C(=O)Nc2ccccn2)=C(O)c2ccccc2S1(=O)=O;QYSPLQLAKJAUJT-UHFFFAOYSA-N;331.35;1.58;54676228;DB00554;;CHEMBL527;BBB;EPAM;25;0;"ph = 7.4, <a href=https://www.ebi.ac.uk/chembl/assay_report_card/CHEMBL3826274/  target=_blank>CHEMBL3826274</a>";;;;;;;;;-5.66;;;;;;;;;;;;"Hroch L, Benek O, Guest P, Aitken L, Soukup O, Janockova J, Musil K, Dohnal V, Dolezal R, Kuca K, Smith TK, Gunn-Moore F, Musilek K.: Design, synthesis and in vitro evaluation of benzothiazole-based ureas as potential ABAD/17β-HSD10 modulators for Alzheimer's disease treatment. Bioorg Med Chem Lett, Volume 26 (15), 2016";ChEMBL
Piroxicam;MM00682;CN1C(C(=O)Nc2ccccn2)=C(O)c2ccccc2S1(=O)=O;QYSPLQLAKJAUJT-UHFFFAOYSA-N;331.35;1.58;54676228;DB00554;;CHEMBL527;BBB;EPAM;25;0;"<a href=https://www.ebi.ac.uk/chembl/assay_report_card/CHEMBL4004497/  target=_blank>CHEMBL4004497</a>";;;;;;;;;-6.14;;;;;;;;;;;;"Qiang X, Li Y, Yang X, Luo L, Xu R, Zheng Y, Cao Z, Tan Z, Deng Y.: DL-3-n-butylphthalide-Edaravone hybrids as novel dual inhibitors of amyloid-β aggregation and monoamine oxidases with high antioxidant potency for Alzheimer's therapy. Bioorg Med Chem Lett, Volume 27 (4), 2017";ChEMBL
Piroxicam;MM00682;CN1C(C(=O)Nc2ccccn2)=C(O)c2ccccc2S1(=O)=O;QYSPLQLAKJAUJT-UHFFFAOYSA-N;331.35;1.58;54676228;DB00554;;CHEMBL527;BBB;EPAM;25;0;"<a href=https://www.ebi.ac.uk/chembl/assay_report_card/CHEMBL4048115/  target=_blank>CHEMBL4048115</a>";;;;;;;;;-6.14;;;;;;;;;;;;"Sang Z, Wang K, Wang H, Wang H, Ma Q, Han X, Ye M, Yu L, Liu W.: Design, synthesis and biological evaluation of 2-acetyl-5-O-(amino-alkyl)phenol derivatives as multifunctional agents for the treatment of Alzheimer's disease. Bioorg Med Chem Lett, Volume 27 (22), 2017";ChEMBL
Piroxicam;MM00682;CN1C(C(=O)Nc2ccccn2)=C(O)c2ccccc2S1(=O)=O;QYSPLQLAKJAUJT-UHFFFAOYSA-N;331.35;1.58;54676228;DB00554;;CHEMBL527;BBB;EPAM;25;0;"<a href=https://www.ebi.ac.uk/chembl/assay_report_card/CHEMBL1936479/  target=_blank>CHEMBL1936479</a>";;;;;;;;;-6.4;;;;;;;;;;;;"Chiriano G, De Simone A, Mancini F, Perez DI, Cavalli A, Bolognesi ML, Legname G, Martinez A, Andrisano V, Carloni P, Roberti M.: A small chemical library of 2-aminoimidazole derivatives as BACE-1 inhibitors: Structure-based design, synthesis, and biological evaluation. Eur J Med Chem, Volume 48, 2012";ChEMBL
Piroxicam;MM00682;CN1C(C(=O)Nc2ccccn2)=C(O)c2ccccc2S1(=O)=O;QYSPLQLAKJAUJT-UHFFFAOYSA-N;331.35;1.58;54676228;DB00554;;CHEMBL527;BBB;EPAM;25;0;"<a href=https://www.ebi.ac.uk/chembl/assay_report_card/CHEMBL2162575/  target=_blank>CHEMBL2162575</a>";;;;;;;;;-5.8;;;;;;;;;;;;"Chavarría C, Perez DI, Pérez C, Morales Garcia JA, Alonso-Gil S, Pérez-Castillo A, Gil C, Souza JM, Porcal W.: Microwave-assisted synthesis of hydroxyphenyl nitrones with protective action against oxidative stress. Eur J Med Chem, Volume 58, 2012";ChEMBL
Piroxicam;MM00682;CN1C(C(=O)Nc2ccccn2)=C(O)c2ccccc2S1(=O)=O;QYSPLQLAKJAUJT-UHFFFAOYSA-N;331.35;1.58;54676228;DB00554;;CHEMBL527;BBB;EPAM;25;0;"<a href=https://www.ebi.ac.uk/chembl/assay_report_card/CHEMBL3364959/  target=_blank>CHEMBL3364959</a>";;;;;;;;;-5.74;;;;;;;;;;;;"Di Pietro O, Pérez-Areales FJ, Juárez-Jiménez J, Espargaró A, Clos MV, Pérez B, Lavilla R, Sabaté R, Luque FJ, Muñoz-Torrero D.: Tetrahydrobenzo[h][1,6]naphthyridine-6-chlorotacrine hybrids as a new family of anti-Alzheimer agents targeting β-amyloid, tau, and cholinesterase pathologies. Eur J Med Chem, Volume 84, 2014";ChEMBL
Piroxicam;MM00682;CN1C(C(=O)Nc2ccccn2)=C(O)c2ccccc2S1(=O)=O;QYSPLQLAKJAUJT-UHFFFAOYSA-N;331.35;1.58;54676228;DB00554;;CHEMBL527;BBB;EPAM;25;0;"<a href=https://www.ebi.ac.uk/chembl/assay_report_card/CHEMBL3412995/  target=_blank>CHEMBL3412995</a>";;;;;;;;;-6.22;;;;;;;;;;;;"Xie SS, Lan JS, Wang XB, Jiang N, Dong G, Li ZR, Wang KD, Guo PP, Kong LY.: Multifunctional tacrine-trolox hybrids for the treatment of Alzheimer's disease with cholinergic, antioxidant, neuroprotective and hepatoprotective properties. Eur J Med Chem, Volume 93, 2015";ChEMBL
Piroxicam;MM00682;CN1C(C(=O)Nc2ccccn2)=C(O)c2ccccc2S1(=O)=O;QYSPLQLAKJAUJT-UHFFFAOYSA-N;331.35;1.58;54676228;DB00554;;CHEMBL527;BBB;EPAM;25;0;"<a href=https://www.ebi.ac.uk/chembl/assay_report_card/CHEMBL3418564/  target=_blank>CHEMBL3418564</a>";;;;;;;;;-5.6;;;;;;;;;;;;"Xie SS, Wang X, Jiang N, Yu W, Wang KD, Lan JS, Li ZR, Kong LY.: Multi-target tacrine-coumarin hybrids: cholinesterase and monoamine oxidase B inhibition properties against Alzheimer's disease. Eur J Med Chem, Volume 95, 2015";ChEMBL
Piroxicam;MM00682;CN1C(C(=O)Nc2ccccn2)=C(O)c2ccccc2S1(=O)=O;QYSPLQLAKJAUJT-UHFFFAOYSA-N;331.35;1.58;54676228;DB00554;;CHEMBL527;BBB;EPAM;25;0;"<a href=https://www.ebi.ac.uk/chembl/assay_report_card/CHEMBL3743403/  target=_blank>CHEMBL3743403</a>";;;;;;;;;-5.6;;;;;;;;;;;;"Di Pietro O, Vicente-García E, Taylor MC, Berenguer D, Viayna E, Lanzoni A, Sola I, Sayago H, Riera C, Fisa R, Clos MV, Pérez B, Kelly JM, Lavilla R, Muñoz-Torrero D.: Multicomponent reaction-based synthesis and biological evaluation of tricyclic heterofused quinolines with multi-trypanosomatid activity. Eur J Med Chem, Volume 105, 2015";ChEMBL
Piroxicam;MM00682;CN1C(C(=O)Nc2ccccn2)=C(O)c2ccccc2S1(=O)=O;QYSPLQLAKJAUJT-UHFFFAOYSA-N;331.35;1.58;54676228;DB00554;;CHEMBL527;BBB;EPAM;25;0;"<a href=https://www.ebi.ac.uk/chembl/assay_report_card/CHEMBL3870528/  target=_blank>CHEMBL3870528</a>";;;;;;;;;-5.74;;;;;;;;;;;;"Wang ZM, Cai P, Liu QH, Xu DQ, Yang XL, Wu JJ, Kong LY, Wang XB.: Rational modification of donepezil as multifunctional acetylcholinesterase inhibitors for the treatment of Alzheimer's disease. Eur J Med Chem, Volume 123, 2016";ChEMBL
Piroxicam;MM00682;CN1C(C(=O)Nc2ccccn2)=C(O)c2ccccc2S1(=O)=O;QYSPLQLAKJAUJT-UHFFFAOYSA-N;331.35;1.58;54676228;DB00554;;CHEMBL527;BBB;EPAM;25;0;"<a href=https://www.ebi.ac.uk/chembl/assay_report_card/CHEMBL3870551/  target=_blank>CHEMBL3870551</a>";;;;;;;;;-5.6;;;;;;;;;;;;"Wang ZM, Cai P, Liu QH, Xu DQ, Yang XL, Wu JJ, Kong LY, Wang XB.: Rational modification of donepezil as multifunctional acetylcholinesterase inhibitors for the treatment of Alzheimer's disease. Eur J Med Chem, Volume 123, 2016";ChEMBL
Piroxicam;MM00682;CN1C(C(=O)Nc2ccccn2)=C(O)c2ccccc2S1(=O)=O;QYSPLQLAKJAUJT-UHFFFAOYSA-N;331.35;1.58;54676228;DB00554;;CHEMBL527;BBB;EPAM;25;0;"<a href=https://www.ebi.ac.uk/chembl/assay_report_card/CHEMBL3878269/  target=_blank>CHEMBL3878269</a>";;;;;;;;;-5.66;;;;;;;;;;;;"Panek D, Więckowska A, Wichur T, Bajda M, Godyń J, Jończyk J, Mika K, Janockova J, Soukup O, Knez D, Korabecny J, Gobec S, Malawska B.: Design, synthesis and biological evaluation of new phthalimide and saccharin derivatives with alicyclic amines targeting cholinesterases, beta-secretase and amyloid beta aggregation. Eur J Med Chem, Volume 125, 2017";ChEMBL
Piroxicam;MM00682;CN1C(C(=O)Nc2ccccn2)=C(O)c2ccccc2S1(=O)=O;QYSPLQLAKJAUJT-UHFFFAOYSA-N;331.35;1.58;54676228;DB00554;;CHEMBL527;BBB;EPAM;25;0;"<a href=https://www.ebi.ac.uk/chembl/assay_report_card/CHEMBL4003401/  target=_blank>CHEMBL4003401</a>";;;;;;;;;-6.14;;;;;;;;;;;;"Li Y, Qiang X, Luo L, Yang X, Xiao G, Liu Q, Ai J, Tan Z, Deng Y.: Aurone Mannich base derivatives as promising multifunctional agents with acetylcholinesterase inhibition, anti-β-amyloid aggragation and neuroprotective properties for the treatment of Alzheimer's disease. Eur J Med Chem, Volume 126, 2017";ChEMBL
Piroxicam;MM00682;CN1C(C(=O)Nc2ccccn2)=C(O)c2ccccc2S1(=O)=O;QYSPLQLAKJAUJT-UHFFFAOYSA-N;331.35;1.58;54676228;DB00554;;CHEMBL527;BBB;EPAM;25;0;"<a href=https://www.ebi.ac.uk/chembl/assay_report_card/CHEMBL4003402/  target=_blank>CHEMBL4003402</a>";;;;;;;;;-5.6;;;;;;;;;;;;"Li Y, Qiang X, Luo L, Yang X, Xiao G, Liu Q, Ai J, Tan Z, Deng Y.: Aurone Mannich base derivatives as promising multifunctional agents with acetylcholinesterase inhibition, anti-β-amyloid aggragation and neuroprotective properties for the treatment of Alzheimer's disease. Eur J Med Chem, Volume 126, 2017";ChEMBL
Piroxicam;MM00682;CN1C(C(=O)Nc2ccccn2)=C(O)c2ccccc2S1(=O)=O;QYSPLQLAKJAUJT-UHFFFAOYSA-N;331.35;1.58;54676228;DB00554;;CHEMBL527;BBB;EPAM;25;0;"<a href=https://www.ebi.ac.uk/chembl/assay_report_card/CHEMBL4192184/  target=_blank>CHEMBL4192184</a>";;;;;;;;;-5.6;;;;;;;;;;;;"Salado IG, Zaldivar-Diez J, Sebastián-Pérez V, Li L, Geiger L, González S, Campillo NE, Gil C, Morales AV, Perez DI, Martinez A.: Leucine rich repeat kinase 2 (LRRK2) inhibitors based on indolinone scaffold: Potential pro-neurogenic agents. Eur J Med Chem, Volume 138, 2017";ChEMBL
Piroxicam;MM00682;CN1C(C(=O)Nc2ccccn2)=C(O)c2ccccc2S1(=O)=O;QYSPLQLAKJAUJT-UHFFFAOYSA-N;331.35;1.58;54676228;DB00554;;CHEMBL527;BBB;EPAM;25;0;"<a href=https://www.ebi.ac.uk/chembl/assay_report_card/CHEMBL4192765/  target=_blank>CHEMBL4192765</a>";;;;;;;;;-5.82;;;;;;;;;;;;"Yang HL, Cai P, Liu QH, Yang XL, Li F, Wang J, Wu JJ, Wang XB, Kong LY.: Design, synthesis and evaluation of coumarin-pargyline hybrids as novel dual inhibitors of monoamine oxidases and amyloid-β aggregation for the treatment of Alzheimer's disease. Eur J Med Chem, Volume 138, 2017";ChEMBL
Piroxicam;MM00682;CN1C(C(=O)Nc2ccccn2)=C(O)c2ccccc2S1(=O)=O;QYSPLQLAKJAUJT-UHFFFAOYSA-N;331.35;1.58;54676228;DB00554;;CHEMBL527;BBB;EPAM;25;0;"<a href=https://www.ebi.ac.uk/chembl/assay_report_card/CHEMBL4192766/  target=_blank>CHEMBL4192766</a>";;;;;;;;;-5.6;;;;;;;;;;;;"Yang HL, Cai P, Liu QH, Yang XL, Li F, Wang J, Wu JJ, Wang XB, Kong LY.: Design, synthesis and evaluation of coumarin-pargyline hybrids as novel dual inhibitors of monoamine oxidases and amyloid-β aggregation for the treatment of Alzheimer's disease. Eur J Med Chem, Volume 138, 2017";ChEMBL
Piroxicam;MM00682;CN1C(C(=O)Nc2ccccn2)=C(O)c2ccccc2S1(=O)=O;QYSPLQLAKJAUJT-UHFFFAOYSA-N;331.35;1.58;54676228;DB00554;;CHEMBL527;BBB;EPAM;25;0;"<a href=https://www.ebi.ac.uk/chembl/assay_report_card/CHEMBL4132647/  target=_blank>CHEMBL4132647</a>";;;;;;;;;-5.66;;;;;;;;;;;;"De Simone A, Bartolini M, Baschieri A, Apperley KYP, Chen HH, Guardigni M, Montanari S, Kobrlova T, Soukup O, Valgimigli L, Andrisano V, Keillor JW, Basso M, Milelli A.: Hydroxy-substituted trans-cinnamoyl derivatives as multifunctional tools in the context of Alzheimer's disease. Eur J Med Chem, Volume 139, 2017";ChEMBL
Piroxicam;MM00682;CN1C(C(=O)Nc2ccccn2)=C(O)c2ccccc2S1(=O)=O;QYSPLQLAKJAUJT-UHFFFAOYSA-N;331.35;1.58;54676228;DB00554;;CHEMBL527;BBB;EPAM;25;0;"<a href=https://www.ebi.ac.uk/chembl/assay_report_card/CHEMBL4147571/  target=_blank>CHEMBL4147571</a>";;;;;;;;;-5.35;;;;;;;;;;;;"Jiang N, Huang Q, Liu J, Liang N, Li Q, Li Q, Xie SS.: Design, synthesis and biological evaluation of new coumarin-dithiocarbamate hybrids as multifunctional agents for the treatment of Alzheimer's disease. Eur J Med Chem, Volume 146, 2018";ChEMBL
Piroxicam;MM00682;CN1C(C(=O)Nc2ccccn2)=C(O)c2ccccc2S1(=O)=O;QYSPLQLAKJAUJT-UHFFFAOYSA-N;331.35;1.58;54676228;DB00554;;CHEMBL527;BBB;EPAM;25;0;"<a href=https://www.ebi.ac.uk/chembl/assay_report_card/CHEMBL4147572/  target=_blank>CHEMBL4147572</a>";;;;;;;;;-5.6;;;;;;;;;;;;"Jiang N, Huang Q, Liu J, Liang N, Li Q, Li Q, Xie SS.: Design, synthesis and biological evaluation of new coumarin-dithiocarbamate hybrids as multifunctional agents for the treatment of Alzheimer's disease. Eur J Med Chem, Volume 146, 2018";ChEMBL
Piroxicam;MM00682;CN1C(C(=O)Nc2ccccn2)=C(O)c2ccccc2S1(=O)=O;QYSPLQLAKJAUJT-UHFFFAOYSA-N;331.35;1.58;54676228;DB00554;;CHEMBL527;BBB;EPAM;25;0;"<a href=https://www.ebi.ac.uk/chembl/assay_report_card/CHEMBL4198703/  target=_blank>CHEMBL4198703</a>";;;;;;;;;-5.82;;;;;;;;;;;;"Hepnarova V, Korabecny J, Matouskova L, Jost P, Muckova L, Hrabinova M, Vykoukalova N, Kerhartova M, Kucera T, Dolezal R, Nepovimova E, Spilovska K, Mezeiova E, Pham NL, Jun D, Staud F, Kaping D, Kuca K, Soukup O.: The concept of hybrid molecules of tacrine and benzyl quinolone carboxylic acid (BQCA) as multifunctional agents for Alzheimer's disease. Eur J Med Chem, Volume 150, 2018";ChEMBL
Piroxicam;MM00682;CN1C(C(=O)Nc2ccccn2)=C(O)c2ccccc2S1(=O)=O;QYSPLQLAKJAUJT-UHFFFAOYSA-N;331.35;1.58;54676228;DB00554;;CHEMBL527;BBB;EPAM;25;0;"<a href=https://www.ebi.ac.uk/chembl/assay_report_card/CHEMBL4198704/  target=_blank>CHEMBL4198704</a>";;;;;;;;;-5.66;;;;;;;;;;;;"Hepnarova V, Korabecny J, Matouskova L, Jost P, Muckova L, Hrabinova M, Vykoukalova N, Kerhartova M, Kucera T, Dolezal R, Nepovimova E, Spilovska K, Mezeiova E, Pham NL, Jun D, Staud F, Kaping D, Kuca K, Soukup O.: The concept of hybrid molecules of tacrine and benzyl quinolone carboxylic acid (BQCA) as multifunctional agents for Alzheimer's disease. Eur J Med Chem, Volume 150, 2018";ChEMBL
Piroxicam;MM00682;CN1C(C(=O)Nc2ccccn2)=C(O)c2ccccc2S1(=O)=O;QYSPLQLAKJAUJT-UHFFFAOYSA-N;331.35;1.58;54676228;DB00554;;CHEMBL527;BBB;EPAM;25;0;"<a href=https://www.ebi.ac.uk/chembl/assay_report_card/CHEMBL4260726/  target=_blank>CHEMBL4260726</a>";;;;;;;;;-5.66;;;;;;;;;;;;"Zorbaz T, Malinak D, Maraković N, Maček Hrvat N, Zandona A, Novotny M, Skarka A, Andrys R, Benkova M, Soukup O, Katalinić M, Kuca K, Kovarik Z, Musilek K.: Pyridinium Oximes with Ortho-Positioned Chlorine Moiety Exhibit Improved Physicochemical Properties and Efficient Reactivation of Human Acetylcholinesterase Inhibited by Several Nerve Agents. J Med Chem, Volume 61 (23), 2018";ChEMBL
Piroxicam;MM00682;CN1C(C(=O)Nc2ccccn2)=C(O)c2ccccc2S1(=O)=O;QYSPLQLAKJAUJT-UHFFFAOYSA-N;331.35;1.58;54676228;DB00554;;CHEMBL527;BBB;EPAM;25;0;"<a href=https://www.ebi.ac.uk/chembl/assay_report_card/CHEMBL3239333/  target=_blank>CHEMBL3239333</a>";;;;;;;;;-6.3;;;;;;;;;;;;"Salado IG, Redondo M, Bello ML, Perez C, Liachko NF, Kraemer BC, Miguel L, Lecourtois M, Gil C, Martinez A, Perez DI.: Protein kinase CK-1 inhibitors as new potential drugs for amyotrophic lateral sclerosis. J Med Chem, Volume 57 (6), 2014";ChEMBL
Piroxicam;MM00682;CN1C(C(=O)Nc2ccccn2)=C(O)c2ccccc2S1(=O)=O;QYSPLQLAKJAUJT-UHFFFAOYSA-N;331.35;1.58;54676228;DB00554;;CHEMBL527;BBB;EPAM;25;0;"<a href=https://www.ebi.ac.uk/chembl/assay_report_card/CHEMBL1105051/  target=_blank>CHEMBL1105051</a>";;;;;;;;;-5.43;;;;;;;;;;;;"Arce MP, Rodríguez-Franco MI, González-Muñoz GC, Pérez C, López B, Villarroya M, López MG, García AG, Conde S.: Neuroprotective and cholinergic properties of multifunctional glutamic acid derivatives for the treatment of Alzheimer's disease. J Med Chem, Volume 52 (22), 2009";ChEMBL
Piroxicam;MM00682;CN1C(C(=O)Nc2ccccn2)=C(O)c2ccccc2S1(=O)=O;QYSPLQLAKJAUJT-UHFFFAOYSA-N;331.35;1.58;54676228;DB00554;;CHEMBL527;BBB;EPAM;25;0;"<a href=https://www.ebi.ac.uk/chembl/assay_report_card/CHEMBL4259691/  target=_blank>CHEMBL4259691</a>";;;;;;;;;-5.6;;;;;;;;;;;;"Nath C, Badavath VN, Thakur A, Ucar G, Acevedo O, Mohd Siddique MU, Jayaprakash V.: Curcumin-based pyrazoline analogues as selective inhibitors of human monoamine oxidase A. Medchemcomm, Volume 9 (7), 2018";ChEMBL
Piroxicam;MM00682;CN1C(C(=O)Nc2ccccn2)=C(O)c2ccccc2S1(=O)=O;QYSPLQLAKJAUJT-UHFFFAOYSA-N;331.35;1.58;54676228;DB00554;;CHEMBL527;BBB;EPAM;25;0;"<a href=https://www.ebi.ac.uk/chembl/assay_report_card/CHEMBL4259692/  target=_blank>CHEMBL4259692</a>";;;;;;;;;-5.58;;;;;;;;;;;;"Nath C, Badavath VN, Thakur A, Ucar G, Acevedo O, Mohd Siddique MU, Jayaprakash V.: Curcumin-based pyrazoline analogues as selective inhibitors of human monoamine oxidase A. Medchemcomm, Volume 9 (7), 2018";ChEMBL
MM474176;MM474176;O=C(Nc1cccc(OC(F)F)c1)c1ccccn1;DVMQKRGCWAAYQR-UHFFFAOYSA-N;264.23;2.94;44189740;;;CHEMBL541754;BBB;EPAM;25;0;"<a href=https://www.ebi.ac.uk/chembl/assay_report_card/CHEMBL3610664/  target=_blank>CHEMBL3610664</a>";;;;;;;;;-3.67;;;;;;;;;;;;"Zhang Z, Kil KE, Poutiainen P, Choi JK, Kang HJ, Huang XP, Roth BL, Brownell AL.: Re-exploring the N-phenylpicolinamide derivatives to develop mGlu4 ligands with improved affinity and in vitro microsomal stability. Bioorg Med Chem Lett, Volume 25 (18), 2015";ChEMBL
Lomefloxacin;MM00764;CCn1cc(C(=O)O)c(=O)c2cc(F)c(N3CCNC(C)C3)c(F)c21;ZEKZLJVOYLTDKK-UHFFFAOYSA-N;351.35;1.8;3948;DB00978;;CHEMBL561;BBB;EPAM;25;0;"ph = 7.4, <a href=https://www.ebi.ac.uk/chembl/assay_report_card/CHEMBL3767515/  target=_blank>CHEMBL3767515</a>";;;;;;;;;-5.74;;;;;;;;;;;;"Xie SS, Lan JS, Wang X, Wang ZM, Jiang N, Li F, Wu JJ, Wang J, Kong LY.: Design, synthesis and biological evaluation of novel donepezil-coumarin hybrids as multi-target agents for the treatment of Alzheimer's disease. Bioorg Med Chem, Volume 24 (7), 2016";ChEMBL
Lomefloxacin;MM00764;CCn1cc(C(=O)O)c(=O)c2cc(F)c(N3CCNC(C)C3)c(F)c21;ZEKZLJVOYLTDKK-UHFFFAOYSA-N;351.35;1.8;3948;DB00978;;CHEMBL561;BBB;EPAM;25;0;"ph = 7.4, <a href=https://www.ebi.ac.uk/chembl/assay_report_card/CHEMBL3767688/  target=_blank>CHEMBL3767688</a>";;;;;;;;;-5.96;;;;;;;;;;;;"Xie SS, Lan JS, Wang X, Wang ZM, Jiang N, Li F, Wu JJ, Wang J, Kong LY.: Design, synthesis and biological evaluation of novel donepezil-coumarin hybrids as multi-target agents for the treatment of Alzheimer's disease. Bioorg Med Chem, Volume 24 (7), 2016";ChEMBL
Lomefloxacin;MM00764;CCn1cc(C(=O)O)c(=O)c2cc(F)c(N3CCNC(C)C3)c(F)c21;ZEKZLJVOYLTDKK-UHFFFAOYSA-N;351.35;1.8;3948;DB00978;;CHEMBL561;BBB;EPAM;25;0;"<a href=https://www.ebi.ac.uk/chembl/assay_report_card/CHEMBL3859151/  target=_blank>CHEMBL3859151</a>";;;;;;;;;-5.96;;;;;;;;;;;;"Sola I, Artigas A, Taylor MC, Pérez-Areales FJ, Viayna E, Clos MV, Pérez B, Wright CW, Kelly JM, Muñoz-Torrero D.: Synthesis and biological evaluation of N-cyanoalkyl-, N-aminoalkyl-, and N-guanidinoalkyl-substituted 4-aminoquinoline derivatives as potent, selective, brain permeable antitrypanosomal agents. Bioorg Med Chem, Volume 24 (21), 2016";ChEMBL
Lomefloxacin;MM00764;CCn1cc(C(=O)O)c(=O)c2cc(F)c(N3CCNC(C)C3)c(F)c21;ZEKZLJVOYLTDKK-UHFFFAOYSA-N;351.35;1.8;3948;DB00978;;CHEMBL561;BBB;EPAM;25;0;"<a href=https://www.ebi.ac.uk/chembl/assay_report_card/CHEMBL4224295/  target=_blank>CHEMBL4224295</a>";;;;;;;;;-5.96;;;;;;;;;;;;"Yang X, Cai P, Liu Q, Wu J, Yin Y, Wang X, Kong L.: Novel 8-hydroxyquinoline derivatives targeting β-amyloid aggregation, metal chelation and oxidative stress against Alzheimer's disease. Bioorg Med Chem, Volume 26 (12), 2018";ChEMBL
Lomefloxacin;MM00764;CCn1cc(C(=O)O)c(=O)c2cc(F)c(N3CCNC(C)C3)c(F)c21;ZEKZLJVOYLTDKK-UHFFFAOYSA-N;351.35;1.8;3948;DB00978;;CHEMBL561;BBB;EPAM;25;0;"<a href=https://www.ebi.ac.uk/chembl/assay_report_card/CHEMBL4224296/  target=_blank>CHEMBL4224296</a>";;;;;;;;;-5.8;;;;;;;;;;;;"Yang X, Cai P, Liu Q, Wu J, Yin Y, Wang X, Kong L.: Novel 8-hydroxyquinoline derivatives targeting β-amyloid aggregation, metal chelation and oxidative stress against Alzheimer's disease. Bioorg Med Chem, Volume 26 (12), 2018";ChEMBL
Lomefloxacin;MM00764;CCn1cc(C(=O)O)c(=O)c2cc(F)c(N3CCNC(C)C3)c(F)c21;ZEKZLJVOYLTDKK-UHFFFAOYSA-N;351.35;1.8;3948;DB00978;;CHEMBL561;BBB;EPAM;25;0;"<a href=https://www.ebi.ac.uk/chembl/assay_report_card/CHEMBL3383778/  target=_blank>CHEMBL3383778</a>";;;;;;;;;-6.12;;;;;;;;;;;;"Sola I, Artigas A, Taylor MC, Gbedema SY, Pérez B, Clos MV, Wright CW, Kelly JM, Muñoz-Torrero D.: Synthesis and antiprotozoal activity of oligomethylene- and  p-phenylene-bis(methylene)-linked bis(+)-huprines. Bioorg Med Chem Lett, Volume 24 (23), 2014";ChEMBL
Lomefloxacin;MM00764;CCn1cc(C(=O)O)c(=O)c2cc(F)c(N3CCNC(C)C3)c(F)c21;ZEKZLJVOYLTDKK-UHFFFAOYSA-N;351.35;1.8;3948;DB00978;;CHEMBL561;BBB;EPAM;25;0;"<a href=https://www.ebi.ac.uk/chembl/assay_report_card/CHEMBL3396583/  target=_blank>CHEMBL3396583</a>";;;;;;;;;-6.51;;;;;;;;;;;;"Huang M, Xie SS, Jiang N, Lan JS, Kong LY, Wang XB.: Multifunctional coumarin derivatives: monoamine oxidase B (MAO-B) inhibition, anti-β-amyloid (Aβ) aggregation and metal chelation properties against Alzheimer's disease. Bioorg Med Chem Lett, Volume 25 (3), 2015";ChEMBL
Lomefloxacin;MM00764;CCn1cc(C(=O)O)c(=O)c2cc(F)c(N3CCNC(C)C3)c(F)c21;ZEKZLJVOYLTDKK-UHFFFAOYSA-N;351.35;1.8;3948;DB00978;;CHEMBL561;BBB;EPAM;25;0;"<a href=https://www.ebi.ac.uk/chembl/assay_report_card/CHEMBL3364959/  target=_blank>CHEMBL3364959</a>";;;;;;;;;-6.12;;;;;;;;;;;;"Di Pietro O, Pérez-Areales FJ, Juárez-Jiménez J, Espargaró A, Clos MV, Pérez B, Lavilla R, Sabaté R, Luque FJ, Muñoz-Torrero D.: Tetrahydrobenzo[h][1,6]naphthyridine-6-chlorotacrine hybrids as a new family of anti-Alzheimer agents targeting β-amyloid, tau, and cholinesterase pathologies. Eur J Med Chem, Volume 84, 2014";ChEMBL
Lomefloxacin;MM00764;CCn1cc(C(=O)O)c(=O)c2cc(F)c(N3CCNC(C)C3)c(F)c21;ZEKZLJVOYLTDKK-UHFFFAOYSA-N;351.35;1.8;3948;DB00978;;CHEMBL561;BBB;EPAM;25;0;"<a href=https://www.ebi.ac.uk/chembl/assay_report_card/CHEMBL3412995/  target=_blank>CHEMBL3412995</a>";;;;;;;;;-6.1;;;;;;;;;;;;"Xie SS, Lan JS, Wang XB, Jiang N, Dong G, Li ZR, Wang KD, Guo PP, Kong LY.: Multifunctional tacrine-trolox hybrids for the treatment of Alzheimer's disease with cholinergic, antioxidant, neuroprotective and hepatoprotective properties. Eur J Med Chem, Volume 93, 2015";ChEMBL
Lomefloxacin;MM00764;CCn1cc(C(=O)O)c(=O)c2cc(F)c(N3CCNC(C)C3)c(F)c21;ZEKZLJVOYLTDKK-UHFFFAOYSA-N;351.35;1.8;3948;DB00978;;CHEMBL561;BBB;EPAM;25;0;"<a href=https://www.ebi.ac.uk/chembl/assay_report_card/CHEMBL3743403/  target=_blank>CHEMBL3743403</a>";;;;;;;;;-5.96;;;;;;;;;;;;"Di Pietro O, Vicente-García E, Taylor MC, Berenguer D, Viayna E, Lanzoni A, Sola I, Sayago H, Riera C, Fisa R, Clos MV, Pérez B, Kelly JM, Lavilla R, Muñoz-Torrero D.: Multicomponent reaction-based synthesis and biological evaluation of tricyclic heterofused quinolines with multi-trypanosomatid activity. Eur J Med Chem, Volume 105, 2015";ChEMBL
Lomefloxacin;MM00764;CCn1cc(C(=O)O)c(=O)c2cc(F)c(N3CCNC(C)C3)c(F)c21;ZEKZLJVOYLTDKK-UHFFFAOYSA-N;351.35;1.8;3948;DB00978;;CHEMBL561;BBB;EPAM;25;0;"<a href=https://www.ebi.ac.uk/chembl/assay_report_card/CHEMBL4192765/  target=_blank>CHEMBL4192765</a>";;;;;;;;;-5.98;;;;;;;;;;;;"Yang HL, Cai P, Liu QH, Yang XL, Li F, Wang J, Wu JJ, Wang XB, Kong LY.: Design, synthesis and evaluation of coumarin-pargyline hybrids as novel dual inhibitors of monoamine oxidases and amyloid-β aggregation for the treatment of Alzheimer's disease. Eur J Med Chem, Volume 138, 2017";ChEMBL
Lomefloxacin;MM00764;CCn1cc(C(=O)O)c(=O)c2cc(F)c(N3CCNC(C)C3)c(F)c21;ZEKZLJVOYLTDKK-UHFFFAOYSA-N;351.35;1.8;3948;DB00978;;CHEMBL561;BBB;EPAM;25;0;"<a href=https://www.ebi.ac.uk/chembl/assay_report_card/CHEMBL4192766/  target=_blank>CHEMBL4192766</a>";;;;;;;;;-5.96;;;;;;;;;;;;"Yang HL, Cai P, Liu QH, Yang XL, Li F, Wang J, Wu JJ, Wang XB, Kong LY.: Design, synthesis and evaluation of coumarin-pargyline hybrids as novel dual inhibitors of monoamine oxidases and amyloid-β aggregation for the treatment of Alzheimer's disease. Eur J Med Chem, Volume 138, 2017";ChEMBL
Lomefloxacin;MM00764;CCn1cc(C(=O)O)c(=O)c2cc(F)c(N3CCNC(C)C3)c(F)c21;ZEKZLJVOYLTDKK-UHFFFAOYSA-N;351.35;1.8;3948;DB00978;;CHEMBL561;BBB;EPAM;25;0;"<a href=https://www.ebi.ac.uk/chembl/assay_report_card/CHEMBL4147571/  target=_blank>CHEMBL4147571</a>";;;;;;;;;-5.54;;;;;;;;;;;;"Jiang N, Huang Q, Liu J, Liang N, Li Q, Li Q, Xie SS.: Design, synthesis and biological evaluation of new coumarin-dithiocarbamate hybrids as multifunctional agents for the treatment of Alzheimer's disease. Eur J Med Chem, Volume 146, 2018";ChEMBL
Lomefloxacin;MM00764;CCn1cc(C(=O)O)c(=O)c2cc(F)c(N3CCNC(C)C3)c(F)c21;ZEKZLJVOYLTDKK-UHFFFAOYSA-N;351.35;1.8;3948;DB00978;;CHEMBL561;BBB;EPAM;25;0;"<a href=https://www.ebi.ac.uk/chembl/assay_report_card/CHEMBL4147572/  target=_blank>CHEMBL4147572</a>";;;;;;;;;-5.96;;;;;;;;;;;;"Jiang N, Huang Q, Liu J, Liang N, Li Q, Li Q, Xie SS.: Design, synthesis and biological evaluation of new coumarin-dithiocarbamate hybrids as multifunctional agents for the treatment of Alzheimer's disease. Eur J Med Chem, Volume 146, 2018";ChEMBL
Lomefloxacin;MM00764;CCn1cc(C(=O)O)c(=O)c2cc(F)c(N3CCNC(C)C3)c(F)c21;ZEKZLJVOYLTDKK-UHFFFAOYSA-N;351.35;1.8;3948;DB00978;;CHEMBL561;BBB;EPAM;25;0;"<a href=https://www.ebi.ac.uk/chembl/assay_report_card/CHEMBL4330470/  target=_blank>CHEMBL4330470</a>";;;;;;;;;-5.96;;;;;;;;;;;;"Srivastava P, Tripathi PN, Sharma P, Rai SN, Singh SP, Srivastava RK, Shankar S, Shrivastava SK.: Design and development of some phenyl benzoxazole derivatives as a potent acetylcholinesterase inhibitor with antioxidant property to enhance learning and memory. Eur J Med Chem, Volume 163, 2019";ChEMBL
Lomefloxacin;MM00764;CCn1cc(C(=O)O)c(=O)c2cc(F)c(N3CCNC(C)C3)c(F)c21;ZEKZLJVOYLTDKK-UHFFFAOYSA-N;351.35;1.8;3948;DB00978;;CHEMBL561;BBB;EPAM;25;0;"<a href=https://www.ebi.ac.uk/chembl/assay_report_card/CHEMBL1004514/  target=_blank>CHEMBL1004514</a>";;;;;;;;;-6.3;;;;;;;;;;;;"Marco-Contelles J, León R, de los Ríos C, Samadi A, Bartolini M, Andrisano V, Huertas O, Barril X, Luque FJ, Rodríguez-Franco MI, López B, López MG, García AG, Carreiras Mdo C, Villarroya M.: Tacripyrines, the first tacrine-dihydropyridine hybrids, as multitarget-directed ligands for the treatment of Alzheimer's disease. J Med Chem, Volume 52 (9), 2009";ChEMBL
Lomefloxacin;MM00764;CCn1cc(C(=O)O)c(=O)c2cc(F)c(N3CCNC(C)C3)c(F)c21;ZEKZLJVOYLTDKK-UHFFFAOYSA-N;351.35;1.8;3948;DB00978;;CHEMBL561;BBB;EPAM;25;0;"<a href=https://www.ebi.ac.uk/chembl/assay_report_card/CHEMBL1105051/  target=_blank>CHEMBL1105051</a>";;;;;;;;;-5.6;;;;;;;;;;;;"Arce MP, Rodríguez-Franco MI, González-Muñoz GC, Pérez C, López B, Villarroya M, López MG, García AG, Conde S.: Neuroprotective and cholinergic properties of multifunctional glutamic acid derivatives for the treatment of Alzheimer's disease. J Med Chem, Volume 52 (22), 2009";ChEMBL
Lomefloxacin;MM00764;CCn1cc(C(=O)O)c(=O)c2cc(F)c(N3CCNC(C)C3)c(F)c21;ZEKZLJVOYLTDKK-UHFFFAOYSA-N;351.35;1.8;3948;DB00978;;CHEMBL561;BBB;EPAM;25;0;"<a href=https://www.ebi.ac.uk/chembl/assay_report_card/CHEMBL4259691/  target=_blank>CHEMBL4259691</a>";;;;;;;;;-5.96;;;;;;;;;;;;"Nath C, Badavath VN, Thakur A, Ucar G, Acevedo O, Mohd Siddique MU, Jayaprakash V.: Curcumin-based pyrazoline analogues as selective inhibitors of human monoamine oxidase A. Medchemcomm, Volume 9 (7), 2018";ChEMBL
Lomefloxacin;MM00764;CCn1cc(C(=O)O)c(=O)c2cc(F)c(N3CCNC(C)C3)c(F)c21;ZEKZLJVOYLTDKK-UHFFFAOYSA-N;351.35;1.8;3948;DB00978;;CHEMBL561;BBB;EPAM;25;0;"<a href=https://www.ebi.ac.uk/chembl/assay_report_card/CHEMBL4259692/  target=_blank>CHEMBL4259692</a>";;;;;;;;;-5.91;;;;;;;;;;;;"Nath C, Badavath VN, Thakur A, Ucar G, Acevedo O, Mohd Siddique MU, Jayaprakash V.: Curcumin-based pyrazoline analogues as selective inhibitors of human monoamine oxidase A. Medchemcomm, Volume 9 (7), 2018";ChEMBL
MM474175;MM474175;COc1cc(NC(=O)c2ccccn2)ccc1Cl;ARYUXFNGXHNNDM-UHFFFAOYSA-N;262.7;3;44191096;;;CHEMBL562551;BBB;EPAM;25;0;"<a href=https://www.ebi.ac.uk/chembl/assay_report_card/CHEMBL3610664/  target=_blank>CHEMBL3610664</a>";;;;;;;;;-3.59;;;;;;;;;;;;"Zhang Z, Kil KE, Poutiainen P, Choi JK, Kang HJ, Huang XP, Roth BL, Brownell AL.: Re-exploring the N-phenylpicolinamide derivatives to develop mGlu4 ligands with improved affinity and in vitro microsomal stability. Bioorg Med Chem Lett, Volume 25 (18), 2015";ChEMBL
Promazine;MM00780;CN(C)CCCN1c2ccccc2Sc2ccccc21;ZGUGWUXLJSTTMA-UHFFFAOYSA-N;284.43;4.24;4926;DB00420;P2Z;CHEMBL564;BBB;EPAM;25;0;"<a href=https://www.ebi.ac.uk/chembl/assay_report_card/CHEMBL3859151/  target=_blank>CHEMBL3859151</a>";;;;;;;;;-5.06;;;;;;;;;;;;"Sola I, Artigas A, Taylor MC, Pérez-Areales FJ, Viayna E, Clos MV, Pérez B, Wright CW, Kelly JM, Muñoz-Torrero D.: Synthesis and biological evaluation of N-cyanoalkyl-, N-aminoalkyl-, and N-guanidinoalkyl-substituted 4-aminoquinoline derivatives as potent, selective, brain permeable antitrypanosomal agents. Bioorg Med Chem, Volume 24 (21), 2016";ChEMBL
Promazine;MM00780;CN(C)CCCN1c2ccccc2Sc2ccccc21;ZGUGWUXLJSTTMA-UHFFFAOYSA-N;284.43;4.24;4926;DB00420;P2Z;CHEMBL564;BBB;EPAM;25;0;"<a href=https://www.ebi.ac.uk/chembl/assay_report_card/CHEMBL1960718/  target=_blank>CHEMBL1960718</a>";;;;;;;;;-5.09;;;;;;;;;;;;"Tang H, Zhao HT, Zhong SM, Wang ZY, Chen ZF, Liang H.: Novel oxoisoaporphine-based inhibitors of acetyl- and butyrylcholinesterase and acetylcholinesterase-induced beta-amyloid aggregation. Bioorg Med Chem Lett, Volume 22 (6), 2012";ChEMBL
Promazine;MM00780;CN(C)CCCN1c2ccccc2Sc2ccccc21;ZGUGWUXLJSTTMA-UHFFFAOYSA-N;284.43;4.24;4926;DB00420;P2Z;CHEMBL564;BBB;EPAM;25;0;"<a href=https://www.ebi.ac.uk/chembl/assay_report_card/CHEMBL3383778/  target=_blank>CHEMBL3383778</a>";;;;;;;;;-4.86;;;;;;;;;;;;"Sola I, Artigas A, Taylor MC, Gbedema SY, Pérez B, Clos MV, Wright CW, Kelly JM, Muñoz-Torrero D.: Synthesis and antiprotozoal activity of oligomethylene- and  p-phenylene-bis(methylene)-linked bis(+)-huprines. Bioorg Med Chem Lett, Volume 24 (23), 2014";ChEMBL
Promazine;MM00780;CN(C)CCCN1c2ccccc2Sc2ccccc21;ZGUGWUXLJSTTMA-UHFFFAOYSA-N;284.43;4.24;4926;DB00420;P2Z;CHEMBL564;BBB;EPAM;25;0;"<a href=https://www.ebi.ac.uk/chembl/assay_report_card/CHEMBL1936479/  target=_blank>CHEMBL1936479</a>";;;;;;;;;-4.94;;;;;;;;;;;;"Chiriano G, De Simone A, Mancini F, Perez DI, Cavalli A, Bolognesi ML, Legname G, Martinez A, Andrisano V, Carloni P, Roberti M.: A small chemical library of 2-aminoimidazole derivatives as BACE-1 inhibitors: Structure-based design, synthesis, and biological evaluation. Eur J Med Chem, Volume 48, 2012";ChEMBL
Promazine;MM00780;CN(C)CCCN1c2ccccc2Sc2ccccc21;ZGUGWUXLJSTTMA-UHFFFAOYSA-N;284.43;4.24;4926;DB00420;P2Z;CHEMBL564;BBB;EPAM;25;0;"<a href=https://www.ebi.ac.uk/chembl/assay_report_card/CHEMBL2162575/  target=_blank>CHEMBL2162575</a>";;;;;;;;;-5.06;;;;;;;;;;;;"Chavarría C, Perez DI, Pérez C, Morales Garcia JA, Alonso-Gil S, Pérez-Castillo A, Gil C, Souza JM, Porcal W.: Microwave-assisted synthesis of hydroxyphenyl nitrones with protective action against oxidative stress. Eur J Med Chem, Volume 58, 2012";ChEMBL
Promazine;MM00780;CN(C)CCCN1c2ccccc2Sc2ccccc21;ZGUGWUXLJSTTMA-UHFFFAOYSA-N;284.43;4.24;4926;DB00420;P2Z;CHEMBL564;BBB;EPAM;25;0;"<a href=https://www.ebi.ac.uk/chembl/assay_report_card/CHEMBL3364959/  target=_blank>CHEMBL3364959</a>";;;;;;;;;-4.86;;;;;;;;;;;;"Di Pietro O, Pérez-Areales FJ, Juárez-Jiménez J, Espargaró A, Clos MV, Pérez B, Lavilla R, Sabaté R, Luque FJ, Muñoz-Torrero D.: Tetrahydrobenzo[h][1,6]naphthyridine-6-chlorotacrine hybrids as a new family of anti-Alzheimer agents targeting β-amyloid, tau, and cholinesterase pathologies. Eur J Med Chem, Volume 84, 2014";ChEMBL
Promazine;MM00780;CN(C)CCCN1c2ccccc2Sc2ccccc21;ZGUGWUXLJSTTMA-UHFFFAOYSA-N;284.43;4.24;4926;DB00420;P2Z;CHEMBL564;BBB;EPAM;25;0;"<a href=https://www.ebi.ac.uk/chembl/assay_report_card/CHEMBL3418564/  target=_blank>CHEMBL3418564</a>";;;;;;;;;-5.06;;;;;;;;;;;;"Xie SS, Wang X, Jiang N, Yu W, Wang KD, Lan JS, Li ZR, Kong LY.: Multi-target tacrine-coumarin hybrids: cholinesterase and monoamine oxidase B inhibition properties against Alzheimer's disease. Eur J Med Chem, Volume 95, 2015";ChEMBL
Promazine;MM00780;CN(C)CCCN1c2ccccc2Sc2ccccc21;ZGUGWUXLJSTTMA-UHFFFAOYSA-N;284.43;4.24;4926;DB00420;P2Z;CHEMBL564;BBB;EPAM;25;0;"<a href=https://www.ebi.ac.uk/chembl/assay_report_card/CHEMBL3743403/  target=_blank>CHEMBL3743403</a>";;;;;;;;;-5.06;;;;;;;;;;;;"Di Pietro O, Vicente-García E, Taylor MC, Berenguer D, Viayna E, Lanzoni A, Sola I, Sayago H, Riera C, Fisa R, Clos MV, Pérez B, Kelly JM, Lavilla R, Muñoz-Torrero D.: Multicomponent reaction-based synthesis and biological evaluation of tricyclic heterofused quinolines with multi-trypanosomatid activity. Eur J Med Chem, Volume 105, 2015";ChEMBL
Promazine;MM00780;CN(C)CCCN1c2ccccc2Sc2ccccc21;ZGUGWUXLJSTTMA-UHFFFAOYSA-N;284.43;4.24;4926;DB00420;P2Z;CHEMBL564;BBB;EPAM;25;0;"<a href=https://www.ebi.ac.uk/chembl/assay_report_card/CHEMBL4192184/  target=_blank>CHEMBL4192184</a>";;;;;;;;;-5.06;;;;;;;;;;;;"Salado IG, Zaldivar-Diez J, Sebastián-Pérez V, Li L, Geiger L, González S, Campillo NE, Gil C, Morales AV, Perez DI, Martinez A.: Leucine rich repeat kinase 2 (LRRK2) inhibitors based on indolinone scaffold: Potential pro-neurogenic agents. Eur J Med Chem, Volume 138, 2017";ChEMBL
Promazine;MM00780;CN(C)CCCN1c2ccccc2Sc2ccccc21;ZGUGWUXLJSTTMA-UHFFFAOYSA-N;284.43;4.24;4926;DB00420;P2Z;CHEMBL564;BBB;EPAM;25;0;"<a href=https://www.ebi.ac.uk/chembl/assay_report_card/CHEMBL4198703/  target=_blank>CHEMBL4198703</a>";;;;;;;;;-5.18;;;;;;;;;;;;"Hepnarova V, Korabecny J, Matouskova L, Jost P, Muckova L, Hrabinova M, Vykoukalova N, Kerhartova M, Kucera T, Dolezal R, Nepovimova E, Spilovska K, Mezeiova E, Pham NL, Jun D, Staud F, Kaping D, Kuca K, Soukup O.: The concept of hybrid molecules of tacrine and benzyl quinolone carboxylic acid (BQCA) as multifunctional agents for Alzheimer's disease. Eur J Med Chem, Volume 150, 2018";ChEMBL
Promazine;MM00780;CN(C)CCCN1c2ccccc2Sc2ccccc21;ZGUGWUXLJSTTMA-UHFFFAOYSA-N;284.43;4.24;4926;DB00420;P2Z;CHEMBL564;BBB;EPAM;25;0;"<a href=https://www.ebi.ac.uk/chembl/assay_report_card/CHEMBL4198704/  target=_blank>CHEMBL4198704</a>";;;;;;;;;-5.03;;;;;;;;;;;;"Hepnarova V, Korabecny J, Matouskova L, Jost P, Muckova L, Hrabinova M, Vykoukalova N, Kerhartova M, Kucera T, Dolezal R, Nepovimova E, Spilovska K, Mezeiova E, Pham NL, Jun D, Staud F, Kaping D, Kuca K, Soukup O.: The concept of hybrid molecules of tacrine and benzyl quinolone carboxylic acid (BQCA) as multifunctional agents for Alzheimer's disease. Eur J Med Chem, Volume 150, 2018";ChEMBL
Promazine;MM00780;CN(C)CCCN1c2ccccc2Sc2ccccc21;ZGUGWUXLJSTTMA-UHFFFAOYSA-N;284.43;4.24;4926;DB00420;P2Z;CHEMBL564;BBB;EPAM;25;0;"<a href=https://www.ebi.ac.uk/chembl/assay_report_card/CHEMBL3239333/  target=_blank>CHEMBL3239333</a>";;;;;;;;;-4.9;;;;;;;;;;;;"Salado IG, Redondo M, Bello ML, Perez C, Liachko NF, Kraemer BC, Miguel L, Lecourtois M, Gil C, Martinez A, Perez DI.: Protein kinase CK-1 inhibitors as new potential drugs for amyotrophic lateral sclerosis. J Med Chem, Volume 57 (6), 2014";ChEMBL
Promazine;MM00780;CN(C)CCCN1c2ccccc2Sc2ccccc21;ZGUGWUXLJSTTMA-UHFFFAOYSA-N;284.43;4.24;4926;DB00420;P2Z;CHEMBL564;BBB;EPAM;25;0;"<a href=https://www.ebi.ac.uk/chembl/assay_report_card/CHEMBL1105051/  target=_blank>CHEMBL1105051</a>";;;;;;;;;-4.81;;;;;;;;;;;;"Arce MP, Rodríguez-Franco MI, González-Muñoz GC, Pérez C, López B, Villarroya M, López MG, García AG, Conde S.: Neuroprotective and cholinergic properties of multifunctional glutamic acid derivatives for the treatment of Alzheimer's disease. J Med Chem, Volume 52 (22), 2009";ChEMBL
MM472770;MM472770;COc1ccc(NC(=S)NCCCn2cncc2C)cc1OC;AYTMAWUKURFAAB-UHFFFAOYSA-N;334.45;2.59;25022550;;;CHEMBL566563;BBB;EPAM;25;0;"<a href=https://www.ebi.ac.uk/chembl/assay_report_card/CHEMBL4009734/  target=_blank>CHEMBL4009734</a>";;;;;;;;;-6.3;;;;;;;;;;;;"Hoang VH, Tran PT, Cui M, Ngo VT, Ann J, Park J, Lee J, Choi K, Cho H, Kim H, Ha HJ, Hong HS, Choi S, Kim YH, Lee J.: Discovery of Potent Human Glutaminyl Cyclase Inhibitors as Anti-Alzheimer's Agents Based on Rational Design. J Med Chem, Volume 60 (6), 2017";ChEMBL
MM471006;MM471006;O=C1Nc2ccc(Cl)cc2C(c2ccccc2)=NC1O;;286.72;2.45;;;;CHEMBL568;BBB;EPAM;25;0;"<a href=https://www.ebi.ac.uk/chembl/assay_report_card/CHEMBL3406060/  target=_blank>CHEMBL3406060</a>";;;;;;;;;-5;;;;;;;;;;;;"Sang Z, Li Y, Qiang X, Xiao G, Liu Q, Tan Z, Deng Y.: Multifunctional scutellarin-rivastigmine hybrids with cholinergic, antioxidant, biometal chelating and neuroprotective properties for the treatment of Alzheimer's disease. Bioorg Med Chem, Volume 23 (4), 2015";ChEMBL
MM471006;MM471006;O=C1Nc2ccc(Cl)cc2C(c2ccccc2)=NC1O;;286.72;2.45;;;;CHEMBL568;BBB;EPAM;25;0;"<a href=https://www.ebi.ac.uk/chembl/assay_report_card/CHEMBL3406061/  target=_blank>CHEMBL3406061</a>";;;;;;;;;-5.02;;;;;;;;;;;;"Sang Z, Li Y, Qiang X, Xiao G, Liu Q, Tan Z, Deng Y.: Multifunctional scutellarin-rivastigmine hybrids with cholinergic, antioxidant, biometal chelating and neuroprotective properties for the treatment of Alzheimer's disease. Bioorg Med Chem, Volume 23 (4), 2015";ChEMBL
MM471006;MM471006;O=C1Nc2ccc(Cl)cc2C(c2ccccc2)=NC1O;;286.72;2.45;;;;CHEMBL568;BBB;EPAM;25;0;"<a href=https://www.ebi.ac.uk/chembl/assay_report_card/CHEMBL3787917/  target=_blank>CHEMBL3787917</a>";;;;;;;;;-5.02;;;;;;;;;;;;"Li Y, Qiang X, Luo L, Li Y, Xiao G, Tan Z, Deng Y.: Synthesis and evaluation of 4-hydroxyl aurone derivatives as multifunctional agents for the treatment of Alzheimer's disease. Bioorg Med Chem, Volume 24 (10), 2016";ChEMBL
MM471006;MM471006;O=C1Nc2ccc(Cl)cc2C(c2ccccc2)=NC1O;;286.72;2.45;;;;CHEMBL568;BBB;EPAM;25;0;"<a href=https://www.ebi.ac.uk/chembl/assay_report_card/CHEMBL3787919/  target=_blank>CHEMBL3787919</a>";;;;;;;;;-5;;;;;;;;;;;;"Li Y, Qiang X, Luo L, Li Y, Xiao G, Tan Z, Deng Y.: Synthesis and evaluation of 4-hydroxyl aurone derivatives as multifunctional agents for the treatment of Alzheimer's disease. Bioorg Med Chem, Volume 24 (10), 2016";ChEMBL
MM471006;MM471006;O=C1Nc2ccc(Cl)cc2C(c2ccccc2)=NC1O;;286.72;2.45;;;;CHEMBL568;BBB;EPAM;25;0;"<a href=https://www.ebi.ac.uk/chembl/assay_report_card/CHEMBL3874684/  target=_blank>CHEMBL3874684</a>";;;;;;;;;-5.02;;;;;;;;;;;;"Li Y, Qiang X, Luo L, Yang X, Xiao G, Zheng Y, Cao Z, Sang Z, Su F, Deng Y.: Multitarget drug design strategy against Alzheimer's disease: Homoisoflavonoid Mannich base derivatives serve as acetylcholinesterase and monoamine oxidase B dual inhibitors with multifunctional properties. Bioorg Med Chem, Volume 25 (2), 2017";ChEMBL
MM471006;MM471006;O=C1Nc2ccc(Cl)cc2C(c2ccccc2)=NC1O;;286.72;2.45;;;;CHEMBL568;BBB;EPAM;25;0;"<a href=https://www.ebi.ac.uk/chembl/assay_report_card/CHEMBL3874685/  target=_blank>CHEMBL3874685</a>";;;;;;;;;-5;;;;;;;;;;;;"Li Y, Qiang X, Luo L, Yang X, Xiao G, Zheng Y, Cao Z, Sang Z, Su F, Deng Y.: Multitarget drug design strategy against Alzheimer's disease: Homoisoflavonoid Mannich base derivatives serve as acetylcholinesterase and monoamine oxidase B dual inhibitors with multifunctional properties. Bioorg Med Chem, Volume 25 (2), 2017";ChEMBL
MM471006;MM471006;O=C1Nc2ccc(Cl)cc2C(c2ccccc2)=NC1O;;286.72;2.45;;;;CHEMBL568;BBB;EPAM;25;0;"<a href=https://www.ebi.ac.uk/chembl/assay_report_card/CHEMBL3876767/  target=_blank>CHEMBL3876767</a>";;;;;;;;;-5.04;;;;;;;;;;;;"Xiao G, Li Y, Qiang X, Xu R, Zheng Y, Cao Z, Luo L, Yang X, Sang Z, Su F, Deng Y.: Design, synthesis and biological evaluation of 4'-aminochalcone-rivastigmine hybrids as multifunctional agents for the treatment of Alzheimer's disease. Bioorg Med Chem, Volume 25 (3), 2017";ChEMBL
MM471006;MM471006;O=C1Nc2ccc(Cl)cc2C(c2ccccc2)=NC1O;;286.72;2.45;;;;CHEMBL568;BBB;EPAM;25;0;"<a href=https://www.ebi.ac.uk/chembl/assay_report_card/CHEMBL3994367/  target=_blank>CHEMBL3994367</a>";;;;;;;;;-5.04;;;;;;;;;;;;"Luo L, Li Y, Qiang X, Cao Z, Xu R, Yang X, Xiao G, Song Q, Tan Z, Deng Y.: Multifunctional thioxanthone derivatives with acetylcholinesterase, monoamine oxidases and β-amyloid aggregation inhibitory activities as potential agents against Alzheimer's disease. Bioorg Med Chem, Volume 25 (6), 2017";ChEMBL
MM471006;MM471006;O=C1Nc2ccc(Cl)cc2C(c2ccccc2)=NC1O;;286.72;2.45;;;;CHEMBL568;BBB;EPAM;25;0;"ph = 7.4, <a href=https://www.ebi.ac.uk/chembl/assay_report_card/CHEMBL3994366/  target=_blank>CHEMBL3994366</a>";;;;;;;;;-5;;;;;;;;;;;;"Luo L, Li Y, Qiang X, Cao Z, Xu R, Yang X, Xiao G, Song Q, Tan Z, Deng Y.: Multifunctional thioxanthone derivatives with acetylcholinesterase, monoamine oxidases and β-amyloid aggregation inhibitory activities as potential agents against Alzheimer's disease. Bioorg Med Chem, Volume 25 (6), 2017";ChEMBL
MM471006;MM471006;O=C1Nc2ccc(Cl)cc2C(c2ccccc2)=NC1O;;286.72;2.45;;;;CHEMBL568;BBB;EPAM;25;0;"<a href=https://www.ebi.ac.uk/chembl/assay_report_card/CHEMBL4035435/  target=_blank>CHEMBL4035435</a>";;;;;;;;;-5.02;;;;;;;;;;;;"Sang Z, Pan W, Wang K, Ma Q, Yu L, Liu W.: Design, synthesis and biological evaluation of 3,4-dihydro-2(1H)-quinoline-O-alkylamine derivatives as new multipotent cholinesterase/monoamine oxidase inhibitors for the treatment of Alzheimer's disease. Bioorg Med Chem, Volume 25 (12), 2017";ChEMBL
MM471006;MM471006;O=C1Nc2ccc(Cl)cc2C(c2ccccc2)=NC1O;;286.72;2.45;;;;CHEMBL568;BBB;EPAM;25;0;"<a href=https://www.ebi.ac.uk/chembl/assay_report_card/CHEMBL4188381/  target=_blank>CHEMBL4188381</a>";;;;;;;;;-5;;;;;;;;;;;;"Cao Z, Yang J, Xu R, Song Q, Zhang X, Liu H, Qiang X, Li Y, Tan Z, Deng Y.: Design, synthesis and evaluation of 4'-OH-flurbiprofen-chalcone hybrids as potential multifunctional agents for Alzheimer's disease treatment. Bioorg Med Chem, Volume 26 (5), 2018";ChEMBL
MM471006;MM471006;O=C1Nc2ccc(Cl)cc2C(c2ccccc2)=NC1O;;286.72;2.45;;;;CHEMBL568;BBB;EPAM;25;0;"<a href=https://www.ebi.ac.uk/chembl/assay_report_card/CHEMBL4188382/  target=_blank>CHEMBL4188382</a>";;;;;;;;;-5.04;;;;;;;;;;;;"Cao Z, Yang J, Xu R, Song Q, Zhang X, Liu H, Qiang X, Li Y, Tan Z, Deng Y.: Design, synthesis and evaluation of 4'-OH-flurbiprofen-chalcone hybrids as potential multifunctional agents for Alzheimer's disease treatment. Bioorg Med Chem, Volume 26 (5), 2018";ChEMBL
MM471006;MM471006;O=C1Nc2ccc(Cl)cc2C(c2ccccc2)=NC1O;;286.72;2.45;;;;CHEMBL568;BBB;EPAM;25;0;"<a href=https://www.ebi.ac.uk/chembl/assay_report_card/CHEMBL4221603/  target=_blank>CHEMBL4221603</a>";;;;;;;;;-5.02;;;;;;;;;;;;"Xu R, Xiao G, Li Y, Liu H, Song Q, Zhang X, Yang Z, Zheng Y, Tan Z, Deng Y.: Multifunctional 5,6-dimethoxybenzo[d]isothiazol-3(2H)-one-N-alkylbenzylamine derivatives with acetylcholinesterase, monoamine oxidases and β-amyloid aggregation inhibitory activities as potential agents against Alzheimer's disease. Bioorg Med Chem, Volume 26 (8), 2018";ChEMBL
MM471006;MM471006;O=C1Nc2ccc(Cl)cc2C(c2ccccc2)=NC1O;;286.72;2.45;;;;CHEMBL568;BBB;EPAM;25;0;"<a href=https://www.ebi.ac.uk/chembl/assay_report_card/CHEMBL4221605/  target=_blank>CHEMBL4221605</a>";;;;;;;;;-5;;;;;;;;;;;;"Xu R, Xiao G, Li Y, Liu H, Song Q, Zhang X, Yang Z, Zheng Y, Tan Z, Deng Y.: Multifunctional 5,6-dimethoxybenzo[d]isothiazol-3(2H)-one-N-alkylbenzylamine derivatives with acetylcholinesterase, monoamine oxidases and β-amyloid aggregation inhibitory activities as potential agents against Alzheimer's disease. Bioorg Med Chem, Volume 26 (8), 2018";ChEMBL
MM471006;MM471006;O=C1Nc2ccc(Cl)cc2C(c2ccccc2)=NC1O;;286.72;2.45;;;;CHEMBL568;BBB;EPAM;25;0;"<a href=https://www.ebi.ac.uk/chembl/assay_report_card/CHEMBL4004497/  target=_blank>CHEMBL4004497</a>";;;;;;;;;-5.02;;;;;;;;;;;;"Qiang X, Li Y, Yang X, Luo L, Xu R, Zheng Y, Cao Z, Tan Z, Deng Y.: DL-3-n-butylphthalide-Edaravone hybrids as novel dual inhibitors of amyloid-β aggregation and monoamine oxidases with high antioxidant potency for Alzheimer's therapy. Bioorg Med Chem Lett, Volume 27 (4), 2017";ChEMBL
MM471006;MM471006;O=C1Nc2ccc(Cl)cc2C(c2ccccc2)=NC1O;;286.72;2.45;;;;CHEMBL568;BBB;EPAM;25;0;"<a href=https://www.ebi.ac.uk/chembl/assay_report_card/CHEMBL4048094/  target=_blank>CHEMBL4048094</a>";;;;;;;;;-5.02;;;;;;;;;;;;"Sang Z, Wang K, Wang H, Yu L, Wang H, Ma Q, Ye M, Han X, Liu W.: Design, synthesis and biological evaluation of phthalimide-alkylamine derivatives as balanced multifunctional cholinesterase and monoamine oxidase-B inhibitors for the treatment of Alzheimer's disease. Bioorg Med Chem Lett, Volume 27 (22), 2017";ChEMBL
MM471006;MM471006;O=C1Nc2ccc(Cl)cc2C(c2ccccc2)=NC1O;;286.72;2.45;;;;CHEMBL568;BBB;EPAM;25;0;"<a href=https://www.ebi.ac.uk/chembl/assay_report_card/CHEMBL4048115/  target=_blank>CHEMBL4048115</a>";;;;;;;;;-5.02;;;;;;;;;;;;"Sang Z, Wang K, Wang H, Wang H, Ma Q, Han X, Ye M, Yu L, Liu W.: Design, synthesis and biological evaluation of 2-acetyl-5-O-(amino-alkyl)phenol derivatives as multifunctional agents for the treatment of Alzheimer's disease. Bioorg Med Chem Lett, Volume 27 (22), 2017";ChEMBL
MM471006;MM471006;O=C1Nc2ccc(Cl)cc2C(c2ccccc2)=NC1O;;286.72;2.45;;;;CHEMBL568;BBB;EPAM;25;0;"<a href=https://www.ebi.ac.uk/chembl/assay_report_card/CHEMBL4122775/  target=_blank>CHEMBL4122775</a>";;;;;;;;;-5.02;;;;;;;;;;;;"Wang T, Tang Y, Yang Y, An Q, Sang Z, Yang T, Liu P, Zhang T, Deng Y, Luo Y.: Discovery of novel anti-tuberculosis agents with pyrrolo[1,2-a]quinoxaline-based scaffold. Bioorg Med Chem Lett, Volume 28 (11), 2018";ChEMBL
MM471006;MM471006;O=C1Nc2ccc(Cl)cc2C(c2ccccc2)=NC1O;;286.72;2.45;;;;CHEMBL568;BBB;EPAM;25;0;"<a href=https://www.ebi.ac.uk/chembl/assay_report_card/CHEMBL4122776/  target=_blank>CHEMBL4122776</a>";;;;;;;;;-5;;;;;;;;;;;;"Wang T, Tang Y, Yang Y, An Q, Sang Z, Yang T, Liu P, Zhang T, Deng Y, Luo Y.: Discovery of novel anti-tuberculosis agents with pyrrolo[1,2-a]quinoxaline-based scaffold. Bioorg Med Chem Lett, Volume 28 (11), 2018";ChEMBL
MM471006;MM471006;O=C1Nc2ccc(Cl)cc2C(c2ccccc2)=NC1O;;286.72;2.45;;;;CHEMBL568;BBB;EPAM;25;0;"<a href=https://www.ebi.ac.uk/chembl/assay_report_card/CHEMBL4354765/  target=_blank>CHEMBL4354765</a>";;;;;;;;;-5.02;;;;;;;;;;;;"Zhu G, Wang K, Shi J, Zhang P, Yang D, Fan X, Zhang Z, Liu W, Sang Z.: The development of 2-acetylphenol-donepezil hybrids as multifunctional agents for the treatment of Alzheimer's disease. Bioorg Med Chem Lett, Volume 29 (19), 2019";ChEMBL
MM471006;MM471006;O=C1Nc2ccc(Cl)cc2C(c2ccccc2)=NC1O;;286.72;2.45;;;;CHEMBL568;BBB;EPAM;25;0;"<a href=https://www.ebi.ac.uk/chembl/assay_report_card/CHEMBL4354771/  target=_blank>CHEMBL4354771</a>";;;;;;;;;-5;;;;;;;;;;;;"Zhu G, Wang K, Shi J, Zhang P, Yang D, Fan X, Zhang Z, Liu W, Sang Z.: The development of 2-acetylphenol-donepezil hybrids as multifunctional agents for the treatment of Alzheimer's disease. Bioorg Med Chem Lett, Volume 29 (19), 2019";ChEMBL
MM471006;MM471006;O=C1Nc2ccc(Cl)cc2C(c2ccccc2)=NC1O;;286.72;2.45;;;;CHEMBL568;BBB;EPAM;25;0;"<a href=https://www.ebi.ac.uk/chembl/assay_report_card/CHEMBL4003401/  target=_blank>CHEMBL4003401</a>";;;;;;;;;-5.02;;;;;;;;;;;;"Li Y, Qiang X, Luo L, Yang X, Xiao G, Liu Q, Ai J, Tan Z, Deng Y.: Aurone Mannich base derivatives as promising multifunctional agents with acetylcholinesterase inhibition, anti-β-amyloid aggragation and neuroprotective properties for the treatment of Alzheimer's disease. Eur J Med Chem, Volume 126, 2017";ChEMBL
MM471006;MM471006;O=C1Nc2ccc(Cl)cc2C(c2ccccc2)=NC1O;;286.72;2.45;;;;CHEMBL568;BBB;EPAM;25;0;"<a href=https://www.ebi.ac.uk/chembl/assay_report_card/CHEMBL4003402/  target=_blank>CHEMBL4003402</a>";;;;;;;;;-5;;;;;;;;;;;;"Li Y, Qiang X, Luo L, Yang X, Xiao G, Liu Q, Ai J, Tan Z, Deng Y.: Aurone Mannich base derivatives as promising multifunctional agents with acetylcholinesterase inhibition, anti-β-amyloid aggragation and neuroprotective properties for the treatment of Alzheimer's disease. Eur J Med Chem, Volume 126, 2017";ChEMBL
MM471006;MM471006;O=C1Nc2ccc(Cl)cc2C(c2ccccc2)=NC1O;;286.72;2.45;;;;CHEMBL568;BBB;EPAM;25;0;"<a href=https://www.ebi.ac.uk/chembl/assay_report_card/CHEMBL4011777/  target=_blank>CHEMBL4011777</a>";;;;;;;;;-5.02;;;;;;;;;;;;"Sang Z, Pan W, Wang K, Ma Q, Yu L, Yang Y, Bai P, Leng C, Xu Q, Li X, Tan Z, Liu W.: Design, synthesis and evaluation of novel ferulic acid-O-alkylamine derivatives as potential multifunctional agents for the treatment of Alzheimer's disease. Eur J Med Chem, Volume 130, 2017";ChEMBL
MM471006;MM471006;O=C1Nc2ccc(Cl)cc2C(c2ccccc2)=NC1O;;286.72;2.45;;;;CHEMBL568;BBB;EPAM;25;0;"ph = 7.4, <a href=https://www.ebi.ac.uk/chembl/assay_report_card/CHEMBL4011778/  target=_blank>CHEMBL4011778</a>";;;;;;;;;-5;;;;;;;;;;;;"Sang Z, Pan W, Wang K, Ma Q, Yu L, Yang Y, Bai P, Leng C, Xu Q, Li X, Tan Z, Liu W.: Design, synthesis and evaluation of novel ferulic acid-O-alkylamine derivatives as potential multifunctional agents for the treatment of Alzheimer's disease. Eur J Med Chem, Volume 130, 2017";ChEMBL
MM471006;MM471006;O=C1Nc2ccc(Cl)cc2C(c2ccccc2)=NC1O;;286.72;2.45;;;;CHEMBL568;BBB;EPAM;25;0;"<a href=https://www.ebi.ac.uk/chembl/assay_report_card/CHEMBL4330470/  target=_blank>CHEMBL4330470</a>";;;;;;;;;-5;;;;;;;;;;;;"Srivastava P, Tripathi PN, Sharma P, Rai SN, Singh SP, Srivastava RK, Shankar S, Shrivastava SK.: Design and development of some phenyl benzoxazole derivatives as a potent acetylcholinesterase inhibitor with antioxidant property to enhance learning and memory. Eur J Med Chem, Volume 163, 2019";ChEMBL
MM471006;MM471006;O=C1Nc2ccc(Cl)cc2C(c2ccccc2)=NC1O;;286.72;2.45;;;;CHEMBL568;BBB;EPAM;25;0;"ph = 7.4, <a href=https://www.ebi.ac.uk/chembl/assay_report_card/CHEMBL4330471/  target=_blank>CHEMBL4330471</a>";;;;;;;;;-5.07;;;;;;;;;;;;"Srivastava P, Tripathi PN, Sharma P, Rai SN, Singh SP, Srivastava RK, Shankar S, Shrivastava SK.: Design and development of some phenyl benzoxazole derivatives as a potent acetylcholinesterase inhibitor with antioxidant property to enhance learning and memory. Eur J Med Chem, Volume 163, 2019";ChEMBL
MM471006;MM471006;O=C1Nc2ccc(Cl)cc2C(c2ccccc2)=NC1O;;286.72;2.45;;;;CHEMBL568;BBB;EPAM;25;0;"<a href=https://www.ebi.ac.uk/chembl/assay_report_card/CHEMBL4314243/  target=_blank>CHEMBL4314243</a>";;;;;;;;;-5.02;;;;;;;;;;;;"Bai P, Wang K, Zhang P, Shi J, Cheng X, Zhang Q, Zheng C, Cheng Y, Yang J, Lu X, Sang Z.: Development of chalcone-O-alkylamine derivatives as multifunctional agents against Alzheimer's disease. Eur J Med Chem, Volume 183, 2019";ChEMBL
MM471006;MM471006;O=C1Nc2ccc(Cl)cc2C(c2ccccc2)=NC1O;;286.72;2.45;;;;CHEMBL568;BBB;EPAM;25;0;"<a href=https://www.ebi.ac.uk/chembl/assay_report_card/CHEMBL4314272/  target=_blank>CHEMBL4314272</a>";;;;;;;;;-5;;;;;;;;;;;;"Bai P, Wang K, Zhang P, Shi J, Cheng X, Zhang Q, Zheng C, Cheng Y, Yang J, Lu X, Sang Z.: Development of chalcone-O-alkylamine derivatives as multifunctional agents against Alzheimer's disease. Eur J Med Chem, Volume 183, 2019";ChEMBL
Ketoprofen;MM00662;CC(C(=O)O)c1cccc(C(=O)c2ccccc2)c1;DKYWVDODHFEZIM-UHFFFAOYSA-N;254.29;3.11;3825;DB01009;;CHEMBL571;BBB;EPAM;25;0;"<a href=https://www.ebi.ac.uk/chembl/assay_report_card/CHEMBL3637355/  target=_blank>CHEMBL3637355</a>";;;;;;;;;-5.35;;;;;;;;;;;;"Feng T, Li D, Wang H, Zhuang J, Liu F, Bao Q, Lei Y, Chen W, Zhang X, Xu X, Sun H, You Q, Guo X.: Novel 5-carboxy-8-HQ based histone demethylase JMJD2A inhibitors: introduction of an additional carboxyl group at the C-2 position of quinoline. Eur J Med Chem, Volume 105, 2015";ChEMBL
Ketoprofen;MM00662;CC(C(=O)O)c1cccc(C(=O)c2ccccc2)c1;DKYWVDODHFEZIM-UHFFFAOYSA-N;254.29;3.11;3825;DB01009;;CHEMBL571;BBB;EPAM;25;0;"ph = 7.4, <a href=https://www.ebi.ac.uk/chembl/assay_report_card/CHEMBL4130770/  target=_blank>CHEMBL4130770</a>";;;;;;;;;-5.35;;;;;;;;;;;;"Xu XL, Yang YR, Mo XF, Wei JL, Zhang XJ, You QD.: Design, synthesis, and evaluation of benzofuran derivatives as novel anti-pancreatic carcinoma agents via interfering the hypoxia environment by targeting HIF-1α pathway. Eur J Med Chem, Volume 137, 2017";ChEMBL
MM471074;MM471074;CN1C(=O)C(C2CCCCC2)(C2CCCCC2)N=C1N;IAMIFCZOYVOTFD-UHFFFAOYSA-N;277.41;2.67;;;;;BBB;EPAM;25;0;"<a href=https://www.ebi.ac.uk/chembl/assay_report_card/CHEMBL1042920/  target=_blank>CHEMBL1042920</a>";;;;;;;;;-5.11;;;;;;;;;;;;"Nowak P, Cole DC, Aulabaugh A, Bard J, Chopra R, Cowling R, Fan KY, Hu B, Jacobsen S, Jani M, Jin G, Lo MC, Malamas MS, Manas ES, Narasimhan R, Reinhart P, Robichaud AJ, Stock JR, Subrath J, Svenson K, Turner J, Wagner E, Zhou P, Ellingboe JW.: Discovery and initial optimization of 5,5'-disubstituted aminohydantoins as potent beta-secretase (BACE1) inhibitors. Bioorg Med Chem Lett, Volume 20 (2), 2010";ChEMBL
L-dopamine;MM00483;NCCc1ccc(O)c(O)c1;VYFYYTLLBUKUHU-UHFFFAOYSA-N;153.18;0.6;681;DB00988;LDP;CHEMBL59;BBB;EPAM;25;0;"<a href=https://www.ebi.ac.uk/chembl/assay_report_card/CHEMBL3384483/  target=_blank>CHEMBL3384483</a>";;;;;;;;;-6.82;;;;;;;;;;;;"Lan JS, Xie SS, Li SY, Pan LF, Wang XB, Kong LY.: Design, synthesis and evaluation of novel tacrine-(β-carboline) hybrids as multifunctional agents for the treatment of Alzheimer's disease. Bioorg Med Chem, Volume 22 (21), 2014";ChEMBL
L-dopamine;MM00483;NCCc1ccc(O)c(O)c1;VYFYYTLLBUKUHU-UHFFFAOYSA-N;153.18;0.6;681;DB00988;LDP;CHEMBL59;BBB;EPAM;25;0;"<a href=https://www.ebi.ac.uk/chembl/assay_report_card/CHEMBL3396583/  target=_blank>CHEMBL3396583</a>";;;;;;;;;-6.08;;;;;;;;;;;;"Huang M, Xie SS, Jiang N, Lan JS, Kong LY, Wang XB.: Multifunctional coumarin derivatives: monoamine oxidase B (MAO-B) inhibition, anti-β-amyloid (Aβ) aggregation and metal chelation properties against Alzheimer's disease. Bioorg Med Chem Lett, Volume 25 (3), 2015";ChEMBL
L-dopamine;MM00483;NCCc1ccc(O)c(O)c1;VYFYYTLLBUKUHU-UHFFFAOYSA-N;153.18;0.6;681;DB00988;LDP;CHEMBL59;BBB;EPAM;25;0;"<a href=https://www.ebi.ac.uk/chembl/assay_report_card/CHEMBL3412995/  target=_blank>CHEMBL3412995</a>";;;;;;;;;-7;;;;;;;;;;;;"Xie SS, Lan JS, Wang XB, Jiang N, Dong G, Li ZR, Wang KD, Guo PP, Kong LY.: Multifunctional tacrine-trolox hybrids for the treatment of Alzheimer's disease with cholinergic, antioxidant, neuroprotective and hepatoprotective properties. Eur J Med Chem, Volume 93, 2015";ChEMBL
L-dopamine;MM00483;NCCc1ccc(O)c(O)c1;VYFYYTLLBUKUHU-UHFFFAOYSA-N;153.18;0.6;681;DB00988;LDP;CHEMBL59;BBB;EPAM;25;0;"<a href=https://www.ebi.ac.uk/chembl/assay_report_card/CHEMBL3418564/  target=_blank>CHEMBL3418564</a>";;;;;;;;;-6.7;;;;;;;;;;;;"Xie SS, Wang X, Jiang N, Yu W, Wang KD, Lan JS, Li ZR, Kong LY.: Multi-target tacrine-coumarin hybrids: cholinesterase and monoamine oxidase B inhibition properties against Alzheimer's disease. Eur J Med Chem, Volume 95, 2015";ChEMBL
L-dopamine;MM00483;NCCc1ccc(O)c(O)c1;VYFYYTLLBUKUHU-UHFFFAOYSA-N;153.18;0.6;681;DB00988;LDP;CHEMBL59;BBB;EPAM;25;0;"<a href=https://www.ebi.ac.uk/chembl/assay_report_card/CHEMBL3870528/  target=_blank>CHEMBL3870528</a>";;;;;;;;;-6.92;;;;;;;;;;;;"Wang ZM, Cai P, Liu QH, Xu DQ, Yang XL, Wu JJ, Kong LY, Wang XB.: Rational modification of donepezil as multifunctional acetylcholinesterase inhibitors for the treatment of Alzheimer's disease. Eur J Med Chem, Volume 123, 2016";ChEMBL
L-dopamine;MM00483;NCCc1ccc(O)c(O)c1;VYFYYTLLBUKUHU-UHFFFAOYSA-N;153.18;0.6;681;DB00988;LDP;CHEMBL59;BBB;EPAM;25;0;"<a href=https://www.ebi.ac.uk/chembl/assay_report_card/CHEMBL3870551/  target=_blank>CHEMBL3870551</a>";;;;;;;;;-6.7;;;;;;;;;;;;"Wang ZM, Cai P, Liu QH, Xu DQ, Yang XL, Wu JJ, Kong LY, Wang XB.: Rational modification of donepezil as multifunctional acetylcholinesterase inhibitors for the treatment of Alzheimer's disease. Eur J Med Chem, Volume 123, 2016";ChEMBL
L-dopamine;MM00483;NCCc1ccc(O)c(O)c1;VYFYYTLLBUKUHU-UHFFFAOYSA-N;153.18;0.6;681;DB00988;LDP;CHEMBL59;BBB;EPAM;25;0;"<a href=https://www.ebi.ac.uk/chembl/assay_report_card/CHEMBL4330470/  target=_blank>CHEMBL4330470</a>";;;;;;;;;-6.7;;;;;;;;;;;;"Srivastava P, Tripathi PN, Sharma P, Rai SN, Singh SP, Srivastava RK, Shankar S, Shrivastava SK.: Design and development of some phenyl benzoxazole derivatives as a potent acetylcholinesterase inhibitor with antioxidant property to enhance learning and memory. Eur J Med Chem, Volume 163, 2019";ChEMBL
L-dopamine;MM00483;NCCc1ccc(O)c(O)c1;VYFYYTLLBUKUHU-UHFFFAOYSA-N;153.18;0.6;681;DB00988;LDP;CHEMBL59;BBB;EPAM;25;0;"<a href=https://www.ebi.ac.uk/chembl/assay_report_card/CHEMBL4259691/  target=_blank>CHEMBL4259691</a>";;;;;;;;;-6.7;;;;;;;;;;;;"Nath C, Badavath VN, Thakur A, Ucar G, Acevedo O, Mohd Siddique MU, Jayaprakash V.: Curcumin-based pyrazoline analogues as selective inhibitors of human monoamine oxidase A. Medchemcomm, Volume 9 (7), 2018";ChEMBL
L-dopamine;MM00483;NCCc1ccc(O)c(O)c1;VYFYYTLLBUKUHU-UHFFFAOYSA-N;153.18;0.6;681;DB00988;LDP;CHEMBL59;BBB;EPAM;25;0;"<a href=https://www.ebi.ac.uk/chembl/assay_report_card/CHEMBL4259692/  target=_blank>CHEMBL4259692</a>";;;;;;;;;-6.66;;;;;;;;;;;;"Nath C, Badavath VN, Thakur A, Ucar G, Acevedo O, Mohd Siddique MU, Jayaprakash V.: Curcumin-based pyrazoline analogues as selective inhibitors of human monoamine oxidase A. Medchemcomm, Volume 9 (7), 2018";ChEMBL
MM473793;MM473793;CN(C(=O)CCC(=O)CN)C(Cc1ccccc1)C(=O)N(C)C(Cc1ccccc1)C(=O)N(C)C(Cc1ccccc1)C(=O)N(C)C(Cc1ccccc1)C(N)=O;OKDSNTCCQRCVQB-YKKXUYLKSA-N;774.96;3.06;45379054;;;CHEMBL591266;BBB;EPAM;25;0;"<a href=https://www.ebi.ac.uk/chembl/assay_report_card/CHEMBL1067589/  target=_blank>CHEMBL1067589</a>";;;;;;;;;-6;;;;;;;;;;;;"Malakoutikhah M, Prades R, Teixidó M, Giralt E.: N-methyl phenylalanine-rich peptides as highly versatile blood-brain barrier shuttles. J Med Chem, Volume 53 (6), 2010";ChEMBL
MM473788;MM473788;CN(C(=O)C1CCCNC1)C(Cc1ccccc1)C(=O)N(C)C(Cc1ccccc1)C(=O)N(C)C(Cc1ccccc1)C(=O)N(C)C(Cc1ccccc1)C(N)=O;RHDVLLJJSIYHGH-MPLVUSNBSA-N;772.99;3.75;45378909;;;CHEMBL591375;BBB;EPAM;25;0;"<a href=https://www.ebi.ac.uk/chembl/assay_report_card/CHEMBL1067589/  target=_blank>CHEMBL1067589</a>";;;;;;;;;-5.85;;;;;;;;;;;;"Malakoutikhah M, Prades R, Teixidó M, Giralt E.: N-methyl phenylalanine-rich peptides as highly versatile blood-brain barrier shuttles. J Med Chem, Volume 53 (6), 2010";ChEMBL
MM473790;MM473790;CN(C(=O)C(CC1CCCCC1)NC(=O)CCCN)C(Cc1ccccc1)C(=O)N(C)C(Cc1ccccc1)C(=O)N(C)C(Cc1ccccc1)C(N)=O;FGYAEPVHOPQYNO-ZQWQDMLBSA-N;738.97;3.87;45378772;;;CHEMBL591867;BBB;EPAM;25;0;"<a href=https://www.ebi.ac.uk/chembl/assay_report_card/CHEMBL1067589/  target=_blank>CHEMBL1067589</a>";;;;;;;;;-6.4;;;;;;;;;;;;"Malakoutikhah M, Prades R, Teixidó M, Giralt E.: N-methyl phenylalanine-rich peptides as highly versatile blood-brain barrier shuttles. J Med Chem, Volume 53 (6), 2010";ChEMBL
MM473795;MM473795;CN(C(=O)C(Cc1ccc2ccccc2c1)NC(=O)CCCN)C(Cc1ccccc1)C(=O)N(C)C(Cc1ccccc1)C(=O)N(C)C(Cc1ccccc1)C(N)=O;BMUQXJDFCFJWEG-IWWWZYECSA-N;782.99;4.3;45378773;;;CHEMBL591888;BBB;EPAM;25;0;"<a href=https://www.ebi.ac.uk/chembl/assay_report_card/CHEMBL1067589/  target=_blank>CHEMBL1067589</a>";;;;;;;;;-6.7;;;;;;;;;;;;"Malakoutikhah M, Prades R, Teixidó M, Giralt E.: N-methyl phenylalanine-rich peptides as highly versatile blood-brain barrier shuttles. J Med Chem, Volume 53 (6), 2010";ChEMBL
MM473789;MM473789;CN(C(=O)C(CC1CCCCC1)NC(=O)C1CCCNC1)C(Cc1ccccc1)C(=O)N(C)C(Cc1ccccc1)C(=O)N(C)C(Cc1ccccc1)C(N)=O;GPTOBNXZQVILMY-PCRAGSOASA-N;765.01;4.14;45378910;;;CHEMBL591892;BBB;EPAM;25;0;"<a href=https://www.ebi.ac.uk/chembl/assay_report_card/CHEMBL1067589/  target=_blank>CHEMBL1067589</a>";;;;;;;;;-5.92;;;;;;;;;;;;"Malakoutikhah M, Prades R, Teixidó M, Giralt E.: N-methyl phenylalanine-rich peptides as highly versatile blood-brain barrier shuttles. J Med Chem, Volume 53 (6), 2010";ChEMBL
MM473792;MM473792;CN(C(=O)CCCN)C(Cc1ccccc1)C(=O)N(C)C(Cc1ccccc1)C(=O)N(C)C(Cc1ccccc1)C(=O)N(C)C(Cc1ccccc1)C(N)=O;XNOPYMNHSRFUGD-GTKRZRNESA-N;746.95;3.49;45378771;;;CHEMBL591902;BBB;EPAM;25;0;"<a href=https://www.ebi.ac.uk/chembl/assay_report_card/CHEMBL1067589/  target=_blank>CHEMBL1067589</a>";;;;;;;;;-6.4;;;;;;;;;;;;"Malakoutikhah M, Prades R, Teixidó M, Giralt E.: N-methyl phenylalanine-rich peptides as highly versatile blood-brain barrier shuttles. J Med Chem, Volume 53 (6), 2010";ChEMBL
MM473791;MM473791;CN(C(=O)C(Cc1ccc2ccccc2c1)NC(=O)C1CCCNC1)C(Cc1ccccc1)C(=O)N(C)C(Cc1ccccc1)C(=O)N(C)C(Cc1ccccc1)C(N)=O;FOPKLEIYZNUJNY-SXNPXYAQSA-N;809.02;4.56;45378911;;;CHEMBL591903;BBB;EPAM;25;0;"<a href=https://www.ebi.ac.uk/chembl/assay_report_card/CHEMBL1067589/  target=_blank>CHEMBL1067589</a>";;;;;;;;;-5.96;;;;;;;;;;;;"Malakoutikhah M, Prades R, Teixidó M, Giralt E.: N-methyl phenylalanine-rich peptides as highly versatile blood-brain barrier shuttles. J Med Chem, Volume 53 (6), 2010";ChEMBL
MM473794;MM473794;CN(C(=O)C(CC1CCCCC1)NC(=O)CCC(=O)CN)C(Cc1ccccc1)C(=O)N(C)C(Cc1ccccc1)C(=O)N(C)C(Cc1ccccc1)C(N)=O;QMFBKQDNYZRVBO-GTKRZRNESA-N;766.98;3.44;45379055;;;CHEMBL591904;BBB;EPAM;25;0;"<a href=https://www.ebi.ac.uk/chembl/assay_report_card/CHEMBL1067589/  target=_blank>CHEMBL1067589</a>";;;;;;;;;-6.52;;;;;;;;;;;;"Malakoutikhah M, Prades R, Teixidó M, Giralt E.: N-methyl phenylalanine-rich peptides as highly versatile blood-brain barrier shuttles. J Med Chem, Volume 53 (6), 2010";ChEMBL
MM471073;MM471073;CN1C(=O)C(c2ccccc2)(C2CCCCC2)N=C1N;FEZQZQTWDYTJPE-UHFFFAOYSA-N;271.36;2.25;;;;;BBB;EPAM;25;0;"<a href=https://www.ebi.ac.uk/chembl/assay_report_card/CHEMBL1042920/  target=_blank>CHEMBL1042920</a>";;;;;;;;;-4.89;;;;;;;;;;;;"Nowak P, Cole DC, Aulabaugh A, Bard J, Chopra R, Cowling R, Fan KY, Hu B, Jacobsen S, Jani M, Jin G, Lo MC, Malamas MS, Manas ES, Narasimhan R, Reinhart P, Robichaud AJ, Stock JR, Subrath J, Svenson K, Turner J, Wagner E, Zhou P, Ellingboe JW.: Discovery and initial optimization of 5,5'-disubstituted aminohydantoins as potent beta-secretase (BACE1) inhibitors. Bioorg Med Chem Lett, Volume 20 (2), 2010";ChEMBL
MM471028;MM471028;CCN(C)C(=O)Oc1cccc(C(C)N(C)C)c1;XSVMFMHYUFZWBK-NSHDSACASA-N;250.34;2.76;77991;;;CHEMBL636;BBB;EPAM;25;0;"ph = 7.4, <a href=https://www.ebi.ac.uk/chembl/assay_report_card/CHEMBL3826274/  target=_blank>CHEMBL3826274</a>";;;;;;;;;-5.18;;;;;;;;;;;;"Hroch L, Benek O, Guest P, Aitken L, Soukup O, Janockova J, Musil K, Dohnal V, Dolezal R, Kuca K, Smith TK, Gunn-Moore F, Musilek K.: Design, synthesis and in vitro evaluation of benzothiazole-based ureas as potential ABAD/17β-HSD10 modulators for Alzheimer's disease treatment. Bioorg Med Chem Lett, Volume 26 (15), 2016";ChEMBL
MM471028;MM471028;CCN(C)C(=O)Oc1cccc(C(C)N(C)C)c1;XSVMFMHYUFZWBK-NSHDSACASA-N;250.34;2.76;77991;;;CHEMBL636;BBB;EPAM;25;0;"<a href=https://www.ebi.ac.uk/chembl/assay_report_card/CHEMBL3878269/  target=_blank>CHEMBL3878269</a>";;;;;;;;;-5.18;;;;;;;;;;;;"Panek D, Więckowska A, Wichur T, Bajda M, Godyń J, Jończyk J, Mika K, Janockova J, Soukup O, Knez D, Korabecny J, Gobec S, Malawska B.: Design, synthesis and biological evaluation of new phthalimide and saccharin derivatives with alicyclic amines targeting cholinesterases, beta-secretase and amyloid beta aggregation. Eur J Med Chem, Volume 125, 2017";ChEMBL
MM471028;MM471028;CCN(C)C(=O)Oc1cccc(C(C)N(C)C)c1;XSVMFMHYUFZWBK-NSHDSACASA-N;250.34;2.76;77991;;;CHEMBL636;BBB;EPAM;25;0;"<a href=https://www.ebi.ac.uk/chembl/assay_report_card/CHEMBL4132647/  target=_blank>CHEMBL4132647</a>";;;;;;;;;-5.18;;;;;;;;;;;;"De Simone A, Bartolini M, Baschieri A, Apperley KYP, Chen HH, Guardigni M, Montanari S, Kobrlova T, Soukup O, Valgimigli L, Andrisano V, Keillor JW, Basso M, Milelli A.: Hydroxy-substituted trans-cinnamoyl derivatives as multifunctional tools in the context of Alzheimer's disease. Eur J Med Chem, Volume 139, 2017";ChEMBL
MM471028;MM471028;CCN(C)C(=O)Oc1cccc(C(C)N(C)C)c1;XSVMFMHYUFZWBK-NSHDSACASA-N;250.34;2.76;77991;;;CHEMBL636;BBB;EPAM;25;0;"<a href=https://www.ebi.ac.uk/chembl/assay_report_card/CHEMBL4135322/  target=_blank>CHEMBL4135322</a>";;;;;;;;;-4.79;;;;;;;;;;;;"Nesi G, Chen Q, Sestito S, Digiacomo M, Yang X, Wang S, Pi R, Rapposelli S.: Nature-based molecules combined with rivastigmine: A symbiotic approach for the synthesis of new agents against Alzheimer's disease. Eur J Med Chem, Volume 141, 2017";ChEMBL
Alprazolam;MM00329;Cc1nnc2n1-c1ccc(Cl)cc1C(c1ccccc1)=NC2;IYQBGWNRKQNSIE-LQAWEQHXSA-N;314.82;2.62;2118;DB00404;08H;CHEMBL661;BBB;EPAM;25;0;"<a href=https://www.ebi.ac.uk/chembl/assay_report_card/CHEMBL4330470/  target=_blank>CHEMBL4330470</a>";;;;;;;;;-5.27;;;;;;;;;;;;"Srivastava P, Tripathi PN, Sharma P, Rai SN, Singh SP, Srivastava RK, Shankar S, Shrivastava SK.: Design and development of some phenyl benzoxazole derivatives as a potent acetylcholinesterase inhibitor with antioxidant property to enhance learning and memory. Eur J Med Chem, Volume 163, 2019";ChEMBL
Verapamil;MM00585;COc1ccc(CCN(C)CCCC(C#N)(c2ccc(OC)c(OC)c2)C(C)C)cc1OC;SGTNSNPWRIOYBX-UHFFFAOYSA-N;454.61;5.09;2520;DB00661;;CHEMBL6966;BBB;EPAM;25;0;"<a href=https://www.ebi.ac.uk/chembl/assay_report_card/CHEMBL2415138/  target=_blank>CHEMBL2415138</a>";;;;;;;;;-4.77;;;;;;;;;;;;"Ning X, Guo Y, Ma X, Zhu R, Tian C, Zhang Z, Wang X, Ma Z, Liu J.: Design, synthesis and pharmacological evaluation of (E)-3,4-dihydroxy styryl sulfonamides derivatives as multifunctional neuroprotective agents against oxidative and inflammatory injury. Bioorg Med Chem, Volume 21 (17), 2013";ChEMBL
Verapamil;MM00585;COc1ccc(CCN(C)CCCC(C#N)(c2ccc(OC)c(OC)c2)C(C)C)cc1OC;SGTNSNPWRIOYBX-UHFFFAOYSA-N;454.61;5.09;2520;DB00661;;CHEMBL6966;BBB;EPAM;25;0;"<a href=https://www.ebi.ac.uk/chembl/assay_report_card/CHEMBL3384483/  target=_blank>CHEMBL3384483</a>";;;;;;;;;-4.91;;;;;;;;;;;;"Lan JS, Xie SS, Li SY, Pan LF, Wang XB, Kong LY.: Design, synthesis and evaluation of novel tacrine-(β-carboline) hybrids as multifunctional agents for the treatment of Alzheimer's disease. Bioorg Med Chem, Volume 22 (21), 2014";ChEMBL
Verapamil;MM00585;COc1ccc(CCN(C)CCCC(C#N)(c2ccc(OC)c(OC)c2)C(C)C)cc1OC;SGTNSNPWRIOYBX-UHFFFAOYSA-N;454.61;5.09;2520;DB00661;;CHEMBL6966;BBB;EPAM;25;0;"<a href=https://www.ebi.ac.uk/chembl/assay_report_card/CHEMBL3406060/  target=_blank>CHEMBL3406060</a>";;;;;;;;;-4.8;;;;;;;;;;;;"Sang Z, Li Y, Qiang X, Xiao G, Liu Q, Tan Z, Deng Y.: Multifunctional scutellarin-rivastigmine hybrids with cholinergic, antioxidant, biometal chelating and neuroprotective properties for the treatment of Alzheimer's disease. Bioorg Med Chem, Volume 23 (4), 2015";ChEMBL
Verapamil;MM00585;COc1ccc(CCN(C)CCCC(C#N)(c2ccc(OC)c(OC)c2)C(C)C)cc1OC;SGTNSNPWRIOYBX-UHFFFAOYSA-N;454.61;5.09;2520;DB00661;;CHEMBL6966;BBB;EPAM;25;0;"<a href=https://www.ebi.ac.uk/chembl/assay_report_card/CHEMBL3406061/  target=_blank>CHEMBL3406061</a>";;;;;;;;;-4.77;;;;;;;;;;;;"Sang Z, Li Y, Qiang X, Xiao G, Liu Q, Tan Z, Deng Y.: Multifunctional scutellarin-rivastigmine hybrids with cholinergic, antioxidant, biometal chelating and neuroprotective properties for the treatment of Alzheimer's disease. Bioorg Med Chem, Volume 23 (4), 2015";ChEMBL
Verapamil;MM00585;COc1ccc(CCN(C)CCCC(C#N)(c2ccc(OC)c(OC)c2)C(C)C)cc1OC;SGTNSNPWRIOYBX-UHFFFAOYSA-N;454.61;5.09;2520;DB00661;;CHEMBL6966;BBB;EPAM;25;0;"ph = 7.4, <a href=https://www.ebi.ac.uk/chembl/assay_report_card/CHEMBL3767515/  target=_blank>CHEMBL3767515</a>";;;;;;;;;-4.68;;;;;;;;;;;;"Xie SS, Lan JS, Wang X, Wang ZM, Jiang N, Li F, Wu JJ, Wang J, Kong LY.: Design, synthesis and biological evaluation of novel donepezil-coumarin hybrids as multi-target agents for the treatment of Alzheimer's disease. Bioorg Med Chem, Volume 24 (7), 2016";ChEMBL
Verapamil;MM00585;COc1ccc(CCN(C)CCCC(C#N)(c2ccc(OC)c(OC)c2)C(C)C)cc1OC;SGTNSNPWRIOYBX-UHFFFAOYSA-N;454.61;5.09;2520;DB00661;;CHEMBL6966;BBB;EPAM;25;0;"ph = 7.4, <a href=https://www.ebi.ac.uk/chembl/assay_report_card/CHEMBL3767688/  target=_blank>CHEMBL3767688</a>";;;;;;;;;-4.8;;;;;;;;;;;;"Xie SS, Lan JS, Wang X, Wang ZM, Jiang N, Li F, Wu JJ, Wang J, Kong LY.: Design, synthesis and biological evaluation of novel donepezil-coumarin hybrids as multi-target agents for the treatment of Alzheimer's disease. Bioorg Med Chem, Volume 24 (7), 2016";ChEMBL
Verapamil;MM00585;COc1ccc(CCN(C)CCCC(C#N)(c2ccc(OC)c(OC)c2)C(C)C)cc1OC;SGTNSNPWRIOYBX-UHFFFAOYSA-N;454.61;5.09;2520;DB00661;;CHEMBL6966;BBB;EPAM;25;0;"<a href=https://www.ebi.ac.uk/chembl/assay_report_card/CHEMBL3859151/  target=_blank>CHEMBL3859151</a>";;;;;;;;;-4.8;;;;;;;;;;;;"Sola I, Artigas A, Taylor MC, Pérez-Areales FJ, Viayna E, Clos MV, Pérez B, Wright CW, Kelly JM, Muñoz-Torrero D.: Synthesis and biological evaluation of N-cyanoalkyl-, N-aminoalkyl-, and N-guanidinoalkyl-substituted 4-aminoquinoline derivatives as potent, selective, brain permeable antitrypanosomal agents. Bioorg Med Chem, Volume 24 (21), 2016";ChEMBL
Verapamil;MM00585;COc1ccc(CCN(C)CCCC(C#N)(c2ccc(OC)c(OC)c2)C(C)C)cc1OC;SGTNSNPWRIOYBX-UHFFFAOYSA-N;454.61;5.09;2520;DB00661;;CHEMBL6966;BBB;EPAM;25;0;"<a href=https://www.ebi.ac.uk/chembl/assay_report_card/CHEMBL3874684/  target=_blank>CHEMBL3874684</a>";;;;;;;;;-4.77;;;;;;;;;;;;"Li Y, Qiang X, Luo L, Yang X, Xiao G, Zheng Y, Cao Z, Sang Z, Su F, Deng Y.: Multitarget drug design strategy against Alzheimer's disease: Homoisoflavonoid Mannich base derivatives serve as acetylcholinesterase and monoamine oxidase B dual inhibitors with multifunctional properties. Bioorg Med Chem, Volume 25 (2), 2017";ChEMBL
Verapamil;MM00585;COc1ccc(CCN(C)CCCC(C#N)(c2ccc(OC)c(OC)c2)C(C)C)cc1OC;SGTNSNPWRIOYBX-UHFFFAOYSA-N;454.61;5.09;2520;DB00661;;CHEMBL6966;BBB;EPAM;25;0;"<a href=https://www.ebi.ac.uk/chembl/assay_report_card/CHEMBL3874685/  target=_blank>CHEMBL3874685</a>";;;;;;;;;-4.8;;;;;;;;;;;;"Li Y, Qiang X, Luo L, Yang X, Xiao G, Zheng Y, Cao Z, Sang Z, Su F, Deng Y.: Multitarget drug design strategy against Alzheimer's disease: Homoisoflavonoid Mannich base derivatives serve as acetylcholinesterase and monoamine oxidase B dual inhibitors with multifunctional properties. Bioorg Med Chem, Volume 25 (2), 2017";ChEMBL
Verapamil;MM00585;COc1ccc(CCN(C)CCCC(C#N)(c2ccc(OC)c(OC)c2)C(C)C)cc1OC;SGTNSNPWRIOYBX-UHFFFAOYSA-N;454.61;5.09;2520;DB00661;;CHEMBL6966;BBB;EPAM;25;0;"<a href=https://www.ebi.ac.uk/chembl/assay_report_card/CHEMBL3876767/  target=_blank>CHEMBL3876767</a>";;;;;;;;;-4.79;;;;;;;;;;;;"Xiao G, Li Y, Qiang X, Xu R, Zheng Y, Cao Z, Luo L, Yang X, Sang Z, Su F, Deng Y.: Design, synthesis and biological evaluation of 4'-aminochalcone-rivastigmine hybrids as multifunctional agents for the treatment of Alzheimer's disease. Bioorg Med Chem, Volume 25 (3), 2017";ChEMBL
Verapamil;MM00585;COc1ccc(CCN(C)CCCC(C#N)(c2ccc(OC)c(OC)c2)C(C)C)cc1OC;SGTNSNPWRIOYBX-UHFFFAOYSA-N;454.61;5.09;2520;DB00661;;CHEMBL6966;BBB;EPAM;25;0;"<a href=https://www.ebi.ac.uk/chembl/assay_report_card/CHEMBL3994367/  target=_blank>CHEMBL3994367</a>";;;;;;;;;-4.79;;;;;;;;;;;;"Luo L, Li Y, Qiang X, Cao Z, Xu R, Yang X, Xiao G, Song Q, Tan Z, Deng Y.: Multifunctional thioxanthone derivatives with acetylcholinesterase, monoamine oxidases and β-amyloid aggregation inhibitory activities as potential agents against Alzheimer's disease. Bioorg Med Chem, Volume 25 (6), 2017";ChEMBL
Verapamil;MM00585;COc1ccc(CCN(C)CCCC(C#N)(c2ccc(OC)c(OC)c2)C(C)C)cc1OC;SGTNSNPWRIOYBX-UHFFFAOYSA-N;454.61;5.09;2520;DB00661;;CHEMBL6966;BBB;EPAM;25;0;"ph = 7.4, <a href=https://www.ebi.ac.uk/chembl/assay_report_card/CHEMBL3994366/  target=_blank>CHEMBL3994366</a>";;;;;;;;;-4.8;;;;;;;;;;;;"Luo L, Li Y, Qiang X, Cao Z, Xu R, Yang X, Xiao G, Song Q, Tan Z, Deng Y.: Multifunctional thioxanthone derivatives with acetylcholinesterase, monoamine oxidases and β-amyloid aggregation inhibitory activities as potential agents against Alzheimer's disease. Bioorg Med Chem, Volume 25 (6), 2017";ChEMBL
Verapamil;MM00585;COc1ccc(CCN(C)CCCC(C#N)(c2ccc(OC)c(OC)c2)C(C)C)cc1OC;SGTNSNPWRIOYBX-UHFFFAOYSA-N;454.61;5.09;2520;DB00661;;CHEMBL6966;BBB;EPAM;25;0;"<a href=https://www.ebi.ac.uk/chembl/assay_report_card/CHEMBL4224295/  target=_blank>CHEMBL4224295</a>";;;;;;;;;-4.8;;;;;;;;;;;;"Yang X, Cai P, Liu Q, Wu J, Yin Y, Wang X, Kong L.: Novel 8-hydroxyquinoline derivatives targeting β-amyloid aggregation, metal chelation and oxidative stress against Alzheimer's disease. Bioorg Med Chem, Volume 26 (12), 2018";ChEMBL
Verapamil;MM00585;COc1ccc(CCN(C)CCCC(C#N)(c2ccc(OC)c(OC)c2)C(C)C)cc1OC;SGTNSNPWRIOYBX-UHFFFAOYSA-N;454.61;5.09;2520;DB00661;;CHEMBL6966;BBB;EPAM;25;0;"<a href=https://www.ebi.ac.uk/chembl/assay_report_card/CHEMBL4224296/  target=_blank>CHEMBL4224296</a>";;;;;;;;;-4.87;;;;;;;;;;;;"Yang X, Cai P, Liu Q, Wu J, Yin Y, Wang X, Kong L.: Novel 8-hydroxyquinoline derivatives targeting β-amyloid aggregation, metal chelation and oxidative stress against Alzheimer's disease. Bioorg Med Chem, Volume 26 (12), 2018";ChEMBL
Verapamil;MM00585;COc1ccc(CCN(C)CCCC(C#N)(c2ccc(OC)c(OC)c2)C(C)C)cc1OC;SGTNSNPWRIOYBX-UHFFFAOYSA-N;454.61;5.09;2520;DB00661;;CHEMBL6966;BBB;EPAM;25;0;"<a href=https://www.ebi.ac.uk/chembl/assay_report_card/CHEMBL3383778/  target=_blank>CHEMBL3383778</a>";;;;;;;;;-4.6;;;;;;;;;;;;"Sola I, Artigas A, Taylor MC, Gbedema SY, Pérez B, Clos MV, Wright CW, Kelly JM, Muñoz-Torrero D.: Synthesis and antiprotozoal activity of oligomethylene- and  p-phenylene-bis(methylene)-linked bis(+)-huprines. Bioorg Med Chem Lett, Volume 24 (23), 2014";ChEMBL
Verapamil;MM00585;COc1ccc(CCN(C)CCCC(C#N)(c2ccc(OC)c(OC)c2)C(C)C)cc1OC;SGTNSNPWRIOYBX-UHFFFAOYSA-N;454.61;5.09;2520;DB00661;;CHEMBL6966;BBB;EPAM;25;0;"<a href=https://www.ebi.ac.uk/chembl/assay_report_card/CHEMBL3396583/  target=_blank>CHEMBL3396583</a>";;;;;;;;;-4.88;;;;;;;;;;;;"Huang M, Xie SS, Jiang N, Lan JS, Kong LY, Wang XB.: Multifunctional coumarin derivatives: monoamine oxidase B (MAO-B) inhibition, anti-β-amyloid (Aβ) aggregation and metal chelation properties against Alzheimer's disease. Bioorg Med Chem Lett, Volume 25 (3), 2015";ChEMBL
Verapamil;MM00585;COc1ccc(CCN(C)CCCC(C#N)(c2ccc(OC)c(OC)c2)C(C)C)cc1OC;SGTNSNPWRIOYBX-UHFFFAOYSA-N;454.61;5.09;2520;DB00661;;CHEMBL6966;BBB;EPAM;25;0;"<a href=https://www.ebi.ac.uk/chembl/assay_report_card/CHEMBL4004497/  target=_blank>CHEMBL4004497</a>";;;;;;;;;-4.77;;;;;;;;;;;;"Qiang X, Li Y, Yang X, Luo L, Xu R, Zheng Y, Cao Z, Tan Z, Deng Y.: DL-3-n-butylphthalide-Edaravone hybrids as novel dual inhibitors of amyloid-β aggregation and monoamine oxidases with high antioxidant potency for Alzheimer's therapy. Bioorg Med Chem Lett, Volume 27 (4), 2017";ChEMBL
Verapamil;MM00585;COc1ccc(CCN(C)CCCC(C#N)(c2ccc(OC)c(OC)c2)C(C)C)cc1OC;SGTNSNPWRIOYBX-UHFFFAOYSA-N;454.61;5.09;2520;DB00661;;CHEMBL6966;BBB;EPAM;25;0;"<a href=https://www.ebi.ac.uk/chembl/assay_report_card/CHEMBL4004498/  target=_blank>CHEMBL4004498</a>";;;;;;;;;-4.8;;;;;;;;;;;;"Qiang X, Li Y, Yang X, Luo L, Xu R, Zheng Y, Cao Z, Tan Z, Deng Y.: DL-3-n-butylphthalide-Edaravone hybrids as novel dual inhibitors of amyloid-β aggregation and monoamine oxidases with high antioxidant potency for Alzheimer's therapy. Bioorg Med Chem Lett, Volume 27 (4), 2017";ChEMBL
Verapamil;MM00585;COc1ccc(CCN(C)CCCC(C#N)(c2ccc(OC)c(OC)c2)C(C)C)cc1OC;SGTNSNPWRIOYBX-UHFFFAOYSA-N;454.61;5.09;2520;DB00661;;CHEMBL6966;BBB;EPAM;25;0;"<a href=https://www.ebi.ac.uk/chembl/assay_report_card/CHEMBL4048115/  target=_blank>CHEMBL4048115</a>";;;;;;;;;-4.8;;;;;;;;;;;;"Sang Z, Wang K, Wang H, Wang H, Ma Q, Han X, Ye M, Yu L, Liu W.: Design, synthesis and biological evaluation of 2-acetyl-5-O-(amino-alkyl)phenol derivatives as multifunctional agents for the treatment of Alzheimer's disease. Bioorg Med Chem Lett, Volume 27 (22), 2017";ChEMBL
Verapamil;MM00585;COc1ccc(CCN(C)CCCC(C#N)(c2ccc(OC)c(OC)c2)C(C)C)cc1OC;SGTNSNPWRIOYBX-UHFFFAOYSA-N;454.61;5.09;2520;DB00661;;CHEMBL6966;BBB;EPAM;25;0;"<a href=https://www.ebi.ac.uk/chembl/assay_report_card/CHEMBL1943846/  target=_blank>CHEMBL1943846</a>";;;;;;;;;-4.69;;;;;;;;;;;;"González-Muñoz GC, Arce MP, López B, Pérez C, Romero A, del Barrio L, Martín-de-Saavedra MD, Egea J, León R, Villarroya M, López MG, García AG, Conde S, Rodríguez-Franco MI.: N-acylaminophenothiazines: neuroprotective agents displaying multifunctional activities for a potential treatment of Alzheimer's disease. Eur J Med Chem, Volume 46 (6), 2011";ChEMBL
Verapamil;MM00585;COc1ccc(CCN(C)CCCC(C#N)(c2ccc(OC)c(OC)c2)C(C)C)cc1OC;SGTNSNPWRIOYBX-UHFFFAOYSA-N;454.61;5.09;2520;DB00661;;CHEMBL6966;BBB;EPAM;25;0;"<a href=https://www.ebi.ac.uk/chembl/assay_report_card/CHEMBL1936479/  target=_blank>CHEMBL1936479</a>";;;;;;;;;-4.81;;;;;;;;;;;;"Chiriano G, De Simone A, Mancini F, Perez DI, Cavalli A, Bolognesi ML, Legname G, Martinez A, Andrisano V, Carloni P, Roberti M.: A small chemical library of 2-aminoimidazole derivatives as BACE-1 inhibitors: Structure-based design, synthesis, and biological evaluation. Eur J Med Chem, Volume 48, 2012";ChEMBL
Verapamil;MM00585;COc1ccc(CCN(C)CCCC(C#N)(c2ccc(OC)c(OC)c2)C(C)C)cc1OC;SGTNSNPWRIOYBX-UHFFFAOYSA-N;454.61;5.09;2520;DB00661;;CHEMBL6966;BBB;EPAM;25;0;"<a href=https://www.ebi.ac.uk/chembl/assay_report_card/CHEMBL2162575/  target=_blank>CHEMBL2162575</a>";;;;;;;;;-4.81;;;;;;;;;;;;"Chavarría C, Perez DI, Pérez C, Morales Garcia JA, Alonso-Gil S, Pérez-Castillo A, Gil C, Souza JM, Porcal W.: Microwave-assisted synthesis of hydroxyphenyl nitrones with protective action against oxidative stress. Eur J Med Chem, Volume 58, 2012";ChEMBL
Verapamil;MM00585;COc1ccc(CCN(C)CCCC(C#N)(c2ccc(OC)c(OC)c2)C(C)C)cc1OC;SGTNSNPWRIOYBX-UHFFFAOYSA-N;454.61;5.09;2520;DB00661;;CHEMBL6966;BBB;EPAM;25;0;"<a href=https://www.ebi.ac.uk/chembl/assay_report_card/CHEMBL3364959/  target=_blank>CHEMBL3364959</a>";;;;;;;;;-4.6;;;;;;;;;;;;"Di Pietro O, Pérez-Areales FJ, Juárez-Jiménez J, Espargaró A, Clos MV, Pérez B, Lavilla R, Sabaté R, Luque FJ, Muñoz-Torrero D.: Tetrahydrobenzo[h][1,6]naphthyridine-6-chlorotacrine hybrids as a new family of anti-Alzheimer agents targeting β-amyloid, tau, and cholinesterase pathologies. Eur J Med Chem, Volume 84, 2014";ChEMBL
Verapamil;MM00585;COc1ccc(CCN(C)CCCC(C#N)(c2ccc(OC)c(OC)c2)C(C)C)cc1OC;SGTNSNPWRIOYBX-UHFFFAOYSA-N;454.61;5.09;2520;DB00661;;CHEMBL6966;BBB;EPAM;25;0;"<a href=https://www.ebi.ac.uk/chembl/assay_report_card/CHEMBL3412995/  target=_blank>CHEMBL3412995</a>";;;;;;;;;-4.89;;;;;;;;;;;;"Xie SS, Lan JS, Wang XB, Jiang N, Dong G, Li ZR, Wang KD, Guo PP, Kong LY.: Multifunctional tacrine-trolox hybrids for the treatment of Alzheimer's disease with cholinergic, antioxidant, neuroprotective and hepatoprotective properties. Eur J Med Chem, Volume 93, 2015";ChEMBL
Verapamil;MM00585;COc1ccc(CCN(C)CCCC(C#N)(c2ccc(OC)c(OC)c2)C(C)C)cc1OC;SGTNSNPWRIOYBX-UHFFFAOYSA-N;454.61;5.09;2520;DB00661;;CHEMBL6966;BBB;EPAM;25;0;"<a href=https://www.ebi.ac.uk/chembl/assay_report_card/CHEMBL3418564/  target=_blank>CHEMBL3418564</a>";;;;;;;;;-4.8;;;;;;;;;;;;"Xie SS, Wang X, Jiang N, Yu W, Wang KD, Lan JS, Li ZR, Kong LY.: Multi-target tacrine-coumarin hybrids: cholinesterase and monoamine oxidase B inhibition properties against Alzheimer's disease. Eur J Med Chem, Volume 95, 2015";ChEMBL
Verapamil;MM00585;COc1ccc(CCN(C)CCCC(C#N)(c2ccc(OC)c(OC)c2)C(C)C)cc1OC;SGTNSNPWRIOYBX-UHFFFAOYSA-N;454.61;5.09;2520;DB00661;;CHEMBL6966;BBB;EPAM;25;0;"<a href=https://www.ebi.ac.uk/chembl/assay_report_card/CHEMBL3744986/  target=_blank>CHEMBL3744986</a>";;;;;;;;;-4.87;;;;;;;;;;;;"Wang YY, Gao YX, Gao W, Xu Y, Xu YZ, Wang YJ, Chang S, Yu LG, Zhang LY, Liao H, Yang LF, Pang T, Qiu WW.: Design, synthesis and biological evaluation of tricyclic diterpene derivatives as novel neuroprotective agents against ischemic brain injury. Eur J Med Chem, Volume 103, 2015";ChEMBL
Verapamil;MM00585;COc1ccc(CCN(C)CCCC(C#N)(c2ccc(OC)c(OC)c2)C(C)C)cc1OC;SGTNSNPWRIOYBX-UHFFFAOYSA-N;454.61;5.09;2520;DB00661;;CHEMBL6966;BBB;EPAM;25;0;"<a href=https://www.ebi.ac.uk/chembl/assay_report_card/CHEMBL3743403/  target=_blank>CHEMBL3743403</a>";;;;;;;;;-4.8;;;;;;;;;;;;"Di Pietro O, Vicente-García E, Taylor MC, Berenguer D, Viayna E, Lanzoni A, Sola I, Sayago H, Riera C, Fisa R, Clos MV, Pérez B, Kelly JM, Lavilla R, Muñoz-Torrero D.: Multicomponent reaction-based synthesis and biological evaluation of tricyclic heterofused quinolines with multi-trypanosomatid activity. Eur J Med Chem, Volume 105, 2015";ChEMBL
Verapamil;MM00585;COc1ccc(CCN(C)CCCC(C#N)(c2ccc(OC)c(OC)c2)C(C)C)cc1OC;SGTNSNPWRIOYBX-UHFFFAOYSA-N;454.61;5.09;2520;DB00661;;CHEMBL6966;BBB;EPAM;25;0;"<a href=https://www.ebi.ac.uk/chembl/assay_report_card/CHEMBL3870528/  target=_blank>CHEMBL3870528</a>";;;;;;;;;-4.88;;;;;;;;;;;;"Wang ZM, Cai P, Liu QH, Xu DQ, Yang XL, Wu JJ, Kong LY, Wang XB.: Rational modification of donepezil as multifunctional acetylcholinesterase inhibitors for the treatment of Alzheimer's disease. Eur J Med Chem, Volume 123, 2016";ChEMBL
Verapamil;MM00585;COc1ccc(CCN(C)CCCC(C#N)(c2ccc(OC)c(OC)c2)C(C)C)cc1OC;SGTNSNPWRIOYBX-UHFFFAOYSA-N;454.61;5.09;2520;DB00661;;CHEMBL6966;BBB;EPAM;25;0;"<a href=https://www.ebi.ac.uk/chembl/assay_report_card/CHEMBL3870551/  target=_blank>CHEMBL3870551</a>";;;;;;;;;-4.8;;;;;;;;;;;;"Wang ZM, Cai P, Liu QH, Xu DQ, Yang XL, Wu JJ, Kong LY, Wang XB.: Rational modification of donepezil as multifunctional acetylcholinesterase inhibitors for the treatment of Alzheimer's disease. Eur J Med Chem, Volume 123, 2016";ChEMBL
Verapamil;MM00585;COc1ccc(CCN(C)CCCC(C#N)(c2ccc(OC)c(OC)c2)C(C)C)cc1OC;SGTNSNPWRIOYBX-UHFFFAOYSA-N;454.61;5.09;2520;DB00661;;CHEMBL6966;BBB;EPAM;25;0;"<a href=https://www.ebi.ac.uk/chembl/assay_report_card/CHEMBL4003401/  target=_blank>CHEMBL4003401</a>";;;;;;;;;-4.77;;;;;;;;;;;;"Li Y, Qiang X, Luo L, Yang X, Xiao G, Liu Q, Ai J, Tan Z, Deng Y.: Aurone Mannich base derivatives as promising multifunctional agents with acetylcholinesterase inhibition, anti-β-amyloid aggragation and neuroprotective properties for the treatment of Alzheimer's disease. Eur J Med Chem, Volume 126, 2017";ChEMBL
Verapamil;MM00585;COc1ccc(CCN(C)CCCC(C#N)(c2ccc(OC)c(OC)c2)C(C)C)cc1OC;SGTNSNPWRIOYBX-UHFFFAOYSA-N;454.61;5.09;2520;DB00661;;CHEMBL6966;BBB;EPAM;25;0;"<a href=https://www.ebi.ac.uk/chembl/assay_report_card/CHEMBL4003402/  target=_blank>CHEMBL4003402</a>";;;;;;;;;-4.8;;;;;;;;;;;;"Li Y, Qiang X, Luo L, Yang X, Xiao G, Liu Q, Ai J, Tan Z, Deng Y.: Aurone Mannich base derivatives as promising multifunctional agents with acetylcholinesterase inhibition, anti-β-amyloid aggragation and neuroprotective properties for the treatment of Alzheimer's disease. Eur J Med Chem, Volume 126, 2017";ChEMBL
Verapamil;MM00585;COc1ccc(CCN(C)CCCC(C#N)(c2ccc(OC)c(OC)c2)C(C)C)cc1OC;SGTNSNPWRIOYBX-UHFFFAOYSA-N;454.61;5.09;2520;DB00661;;CHEMBL6966;BBB;EPAM;25;0;"<a href=https://www.ebi.ac.uk/chembl/assay_report_card/CHEMBL4119593/  target=_blank>CHEMBL4119593</a>";;;;;;;;;-4.79;;;;;;;;;;;;"Yan G, Hao L, Niu Y, Huang W, Wang W, Xu F, Liang L, Wang C, Jin H, Xu P.: 2-Substituted-thio-N-(4-substituted-thiazol/1H-imidazol-2-yl)acetamides as BACE1 inhibitors: Synthesis, biological evaluation and docking studies. Eur J Med Chem, Volume 137, 2017";ChEMBL
Verapamil;MM00585;COc1ccc(CCN(C)CCCC(C#N)(c2ccc(OC)c(OC)c2)C(C)C)cc1OC;SGTNSNPWRIOYBX-UHFFFAOYSA-N;454.61;5.09;2520;DB00661;;CHEMBL6966;BBB;EPAM;25;0;"<a href=https://www.ebi.ac.uk/chembl/assay_report_card/CHEMBL4192184/  target=_blank>CHEMBL4192184</a>";;;;;;;;;-4.8;;;;;;;;;;;;"Salado IG, Zaldivar-Diez J, Sebastián-Pérez V, Li L, Geiger L, González S, Campillo NE, Gil C, Morales AV, Perez DI, Martinez A.: Leucine rich repeat kinase 2 (LRRK2) inhibitors based on indolinone scaffold: Potential pro-neurogenic agents. Eur J Med Chem, Volume 138, 2017";ChEMBL
Verapamil;MM00585;COc1ccc(CCN(C)CCCC(C#N)(c2ccc(OC)c(OC)c2)C(C)C)cc1OC;SGTNSNPWRIOYBX-UHFFFAOYSA-N;454.61;5.09;2520;DB00661;;CHEMBL6966;BBB;EPAM;25;0;"<a href=https://www.ebi.ac.uk/chembl/assay_report_card/CHEMBL4192765/  target=_blank>CHEMBL4192765</a>";;;;;;;;;-5;;;;;;;;;;;;"Yang HL, Cai P, Liu QH, Yang XL, Li F, Wang J, Wu JJ, Wang XB, Kong LY.: Design, synthesis and evaluation of coumarin-pargyline hybrids as novel dual inhibitors of monoamine oxidases and amyloid-β aggregation for the treatment of Alzheimer's disease. Eur J Med Chem, Volume 138, 2017";ChEMBL
Verapamil;MM00585;COc1ccc(CCN(C)CCCC(C#N)(c2ccc(OC)c(OC)c2)C(C)C)cc1OC;SGTNSNPWRIOYBX-UHFFFAOYSA-N;454.61;5.09;2520;DB00661;;CHEMBL6966;BBB;EPAM;25;0;"<a href=https://www.ebi.ac.uk/chembl/assay_report_card/CHEMBL4192766/  target=_blank>CHEMBL4192766</a>";;;;;;;;;-4.8;;;;;;;;;;;;"Yang HL, Cai P, Liu QH, Yang XL, Li F, Wang J, Wu JJ, Wang XB, Kong LY.: Design, synthesis and evaluation of coumarin-pargyline hybrids as novel dual inhibitors of monoamine oxidases and amyloid-β aggregation for the treatment of Alzheimer's disease. Eur J Med Chem, Volume 138, 2017";ChEMBL
Verapamil;MM00585;COc1ccc(CCN(C)CCCC(C#N)(c2ccc(OC)c(OC)c2)C(C)C)cc1OC;SGTNSNPWRIOYBX-UHFFFAOYSA-N;454.61;5.09;2520;DB00661;;CHEMBL6966;BBB;EPAM;25;0;"<a href=https://www.ebi.ac.uk/chembl/assay_report_card/CHEMBL4147571/  target=_blank>CHEMBL4147571</a>";;;;;;;;;-4.7;;;;;;;;;;;;"Jiang N, Huang Q, Liu J, Liang N, Li Q, Li Q, Xie SS.: Design, synthesis and biological evaluation of new coumarin-dithiocarbamate hybrids as multifunctional agents for the treatment of Alzheimer's disease. Eur J Med Chem, Volume 146, 2018";ChEMBL
Verapamil;MM00585;COc1ccc(CCN(C)CCCC(C#N)(c2ccc(OC)c(OC)c2)C(C)C)cc1OC;SGTNSNPWRIOYBX-UHFFFAOYSA-N;454.61;5.09;2520;DB00661;;CHEMBL6966;BBB;EPAM;25;0;"<a href=https://www.ebi.ac.uk/chembl/assay_report_card/CHEMBL4147572/  target=_blank>CHEMBL4147572</a>";;;;;;;;;-4.8;;;;;;;;;;;;"Jiang N, Huang Q, Liu J, Liang N, Li Q, Li Q, Xie SS.: Design, synthesis and biological evaluation of new coumarin-dithiocarbamate hybrids as multifunctional agents for the treatment of Alzheimer's disease. Eur J Med Chem, Volume 146, 2018";ChEMBL
Verapamil;MM00585;COc1ccc(CCN(C)CCCC(C#N)(c2ccc(OC)c(OC)c2)C(C)C)cc1OC;SGTNSNPWRIOYBX-UHFFFAOYSA-N;454.61;5.09;2520;DB00661;;CHEMBL6966;BBB;EPAM;25;0;"<a href=https://www.ebi.ac.uk/chembl/assay_report_card/CHEMBL4330470/  target=_blank>CHEMBL4330470</a>";;;;;;;;;-4.8;;;;;;;;;;;;"Srivastava P, Tripathi PN, Sharma P, Rai SN, Singh SP, Srivastava RK, Shankar S, Shrivastava SK.: Design and development of some phenyl benzoxazole derivatives as a potent acetylcholinesterase inhibitor with antioxidant property to enhance learning and memory. Eur J Med Chem, Volume 163, 2019";ChEMBL
Verapamil;MM00585;COc1ccc(CCN(C)CCCC(C#N)(c2ccc(OC)c(OC)c2)C(C)C)cc1OC;SGTNSNPWRIOYBX-UHFFFAOYSA-N;454.61;5.09;2520;DB00661;;CHEMBL6966;BBB;EPAM;25;0;"<a href=https://www.ebi.ac.uk/chembl/assay_report_card/CHEMBL3266342/  target=_blank>CHEMBL3266342</a>";;;;;;;;;-4.77;;;;;;;;;;;;"Ning X, Guo Y, Wang X, Ma X, Tian C, Shi X, Zhu R, Cheng C, Du Y, Ma Z, Zhang Z, Liu J.: Design, synthesis, and biological evaluation of (e)-3,4-dihydroxystyryl aralkyl sulfones and sulfoxides as novel multifunctional neuroprotective agents. J Med Chem, Volume 57 (10), 2014";ChEMBL
Verapamil;MM00585;COc1ccc(CCN(C)CCCC(C#N)(c2ccc(OC)c(OC)c2)C(C)C)cc1OC;SGTNSNPWRIOYBX-UHFFFAOYSA-N;454.61;5.09;2520;DB00661;;CHEMBL6966;BBB;EPAM;25;0;"<a href=https://www.ebi.ac.uk/chembl/assay_report_card/CHEMBL1105051/  target=_blank>CHEMBL1105051</a>";;;;;;;;;-4.69;;;;;;;;;;;;"Arce MP, Rodríguez-Franco MI, González-Muñoz GC, Pérez C, López B, Villarroya M, López MG, García AG, Conde S.: Neuroprotective and cholinergic properties of multifunctional glutamic acid derivatives for the treatment of Alzheimer's disease. J Med Chem, Volume 52 (22), 2009";ChEMBL
Verapamil;MM00585;COc1ccc(CCN(C)CCCC(C#N)(c2ccc(OC)c(OC)c2)C(C)C)cc1OC;SGTNSNPWRIOYBX-UHFFFAOYSA-N;454.61;5.09;2520;DB00661;;CHEMBL6966;BBB;EPAM;25;0;"<a href=https://www.ebi.ac.uk/chembl/assay_report_card/CHEMBL4259691/  target=_blank>CHEMBL4259691</a>";;;;;;;;;-4.8;;;;;;;;;;;;"Nath C, Badavath VN, Thakur A, Ucar G, Acevedo O, Mohd Siddique MU, Jayaprakash V.: Curcumin-based pyrazoline analogues as selective inhibitors of human monoamine oxidase A. Medchemcomm, Volume 9 (7), 2018";ChEMBL
Verapamil;MM00585;COc1ccc(CCN(C)CCCC(C#N)(c2ccc(OC)c(OC)c2)C(C)C)cc1OC;SGTNSNPWRIOYBX-UHFFFAOYSA-N;454.61;5.09;2520;DB00661;;CHEMBL6966;BBB;EPAM;25;0;"<a href=https://www.ebi.ac.uk/chembl/assay_report_card/CHEMBL4259692/  target=_blank>CHEMBL4259692</a>";;;;;;;;;-4.82;;;;;;;;;;;;"Nath C, Badavath VN, Thakur A, Ucar G, Acevedo O, Mohd Siddique MU, Jayaprakash V.: Curcumin-based pyrazoline analogues as selective inhibitors of human monoamine oxidase A. Medchemcomm, Volume 9 (7), 2018";ChEMBL
Chlorpromazine;MM00461;CN(C)CCCN1c2ccccc2Sc2ccc(Cl)cc21;ZPEIMTDSQAKGNT-UHFFFAOYSA-N;318.87;4.89;2726;DB00477;Z80;CHEMBL71;BBB;EPAM;25;0;"<a href=https://www.ebi.ac.uk/chembl/assay_report_card/CHEMBL1960718/  target=_blank>CHEMBL1960718</a>";;;;;;;;;-5.06;;;;;;;;;;;;"Tang H, Zhao HT, Zhong SM, Wang ZY, Chen ZF, Liang H.: Novel oxoisoaporphine-based inhibitors of acetyl- and butyrylcholinesterase and acetylcholinesterase-induced beta-amyloid aggregation. Bioorg Med Chem Lett, Volume 22 (6), 2012";ChEMBL
Chlorpromazine;MM00461;CN(C)CCCN1c2ccccc2Sc2ccc(Cl)cc21;ZPEIMTDSQAKGNT-UHFFFAOYSA-N;318.87;4.89;2726;DB00477;Z80;CHEMBL71;BBB;EPAM;25;0;"ph = 7.4, <a href=https://www.ebi.ac.uk/chembl/assay_report_card/CHEMBL3826274/  target=_blank>CHEMBL3826274</a>";;;;;;;;;-5.25;;;;;;;;;;;;"Hroch L, Benek O, Guest P, Aitken L, Soukup O, Janockova J, Musil K, Dohnal V, Dolezal R, Kuca K, Smith TK, Gunn-Moore F, Musilek K.: Design, synthesis and in vitro evaluation of benzothiazole-based ureas as potential ABAD/17β-HSD10 modulators for Alzheimer's disease treatment. Bioorg Med Chem Lett, Volume 26 (15), 2016";ChEMBL
Chlorpromazine;MM00461;CN(C)CCCN1c2ccccc2Sc2ccc(Cl)cc21;ZPEIMTDSQAKGNT-UHFFFAOYSA-N;318.87;4.89;2726;DB00477;Z80;CHEMBL71;BBB;EPAM;25;0;"<a href=https://www.ebi.ac.uk/chembl/assay_report_card/CHEMBL1833719/  target=_blank>CHEMBL1833719</a>";;;;;;;;;-5.06;;;;;;;;;;;;"Tang H, Zhao LZ, Zhao HT, Huang SL, Zhong SM, Qin JK, Chen ZF, Huang ZS, Liang H.: Hybrids of oxoisoaporphine-tacrine congeners: novel acetylcholinesterase and acetylcholinesterase-induced β-amyloid aggregation inhibitors. Eur J Med Chem, Volume 46 (10), 2011";ChEMBL
Chlorpromazine;MM00461;CN(C)CCCN1c2ccccc2Sc2ccc(Cl)cc21;ZPEIMTDSQAKGNT-UHFFFAOYSA-N;318.87;4.89;2726;DB00477;Z80;CHEMBL71;BBB;EPAM;25;0;"<a href=https://www.ebi.ac.uk/chembl/assay_report_card/CHEMBL3418564/  target=_blank>CHEMBL3418564</a>";;;;;;;;;-5.19;;;;;;;;;;;;"Xie SS, Wang X, Jiang N, Yu W, Wang KD, Lan JS, Li ZR, Kong LY.: Multi-target tacrine-coumarin hybrids: cholinesterase and monoamine oxidase B inhibition properties against Alzheimer's disease. Eur J Med Chem, Volume 95, 2015";ChEMBL
Chlorpromazine;MM00461;CN(C)CCCN1c2ccccc2Sc2ccc(Cl)cc21;ZPEIMTDSQAKGNT-UHFFFAOYSA-N;318.87;4.89;2726;DB00477;Z80;CHEMBL71;BBB;EPAM;25;0;"<a href=https://www.ebi.ac.uk/chembl/assay_report_card/CHEMBL3878269/  target=_blank>CHEMBL3878269</a>";;;;;;;;;-5.25;;;;;;;;;;;;"Panek D, Więckowska A, Wichur T, Bajda M, Godyń J, Jończyk J, Mika K, Janockova J, Soukup O, Knez D, Korabecny J, Gobec S, Malawska B.: Design, synthesis and biological evaluation of new phthalimide and saccharin derivatives with alicyclic amines targeting cholinesterases, beta-secretase and amyloid beta aggregation. Eur J Med Chem, Volume 125, 2017";ChEMBL
Chlorpromazine;MM00461;CN(C)CCCN1c2ccccc2Sc2ccc(Cl)cc21;ZPEIMTDSQAKGNT-UHFFFAOYSA-N;318.87;4.89;2726;DB00477;Z80;CHEMBL71;BBB;EPAM;25;0;"<a href=https://www.ebi.ac.uk/chembl/assay_report_card/CHEMBL4132647/  target=_blank>CHEMBL4132647</a>";;;;;;;;;-5.25;;;;;;;;;;;;"De Simone A, Bartolini M, Baschieri A, Apperley KYP, Chen HH, Guardigni M, Montanari S, Kobrlova T, Soukup O, Valgimigli L, Andrisano V, Keillor JW, Basso M, Milelli A.: Hydroxy-substituted trans-cinnamoyl derivatives as multifunctional tools in the context of Alzheimer's disease. Eur J Med Chem, Volume 139, 2017";ChEMBL
Chlorpromazine;MM00461;CN(C)CCCN1c2ccccc2Sc2ccc(Cl)cc21;ZPEIMTDSQAKGNT-UHFFFAOYSA-N;318.87;4.89;2726;DB00477;Z80;CHEMBL71;BBB;EPAM;25;0;"<a href=https://www.ebi.ac.uk/chembl/assay_report_card/CHEMBL4198703/  target=_blank>CHEMBL4198703</a>";;;;;;;;;-5.34;;;;;;;;;;;;"Hepnarova V, Korabecny J, Matouskova L, Jost P, Muckova L, Hrabinova M, Vykoukalova N, Kerhartova M, Kucera T, Dolezal R, Nepovimova E, Spilovska K, Mezeiova E, Pham NL, Jun D, Staud F, Kaping D, Kuca K, Soukup O.: The concept of hybrid molecules of tacrine and benzyl quinolone carboxylic acid (BQCA) as multifunctional agents for Alzheimer's disease. Eur J Med Chem, Volume 150, 2018";ChEMBL
Chlorpromazine;MM00461;CN(C)CCCN1c2ccccc2Sc2ccc(Cl)cc21;ZPEIMTDSQAKGNT-UHFFFAOYSA-N;318.87;4.89;2726;DB00477;Z80;CHEMBL71;BBB;EPAM;25;0;"<a href=https://www.ebi.ac.uk/chembl/assay_report_card/CHEMBL4198704/  target=_blank>CHEMBL4198704</a>";;;;;;;;;-5.33;;;;;;;;;;;;"Hepnarova V, Korabecny J, Matouskova L, Jost P, Muckova L, Hrabinova M, Vykoukalova N, Kerhartova M, Kucera T, Dolezal R, Nepovimova E, Spilovska K, Mezeiova E, Pham NL, Jun D, Staud F, Kaping D, Kuca K, Soukup O.: The concept of hybrid molecules of tacrine and benzyl quinolone carboxylic acid (BQCA) as multifunctional agents for Alzheimer's disease. Eur J Med Chem, Volume 150, 2018";ChEMBL
Chlorpromazine;MM00461;CN(C)CCCN1c2ccccc2Sc2ccc(Cl)cc21;ZPEIMTDSQAKGNT-UHFFFAOYSA-N;318.87;4.89;2726;DB00477;Z80;CHEMBL71;BBB;EPAM;25;0;"<a href=https://www.ebi.ac.uk/chembl/assay_report_card/CHEMBL4330470/  target=_blank>CHEMBL4330470</a>";;;;;;;;;-5.19;;;;;;;;;;;;"Srivastava P, Tripathi PN, Sharma P, Rai SN, Singh SP, Srivastava RK, Shankar S, Shrivastava SK.: Design and development of some phenyl benzoxazole derivatives as a potent acetylcholinesterase inhibitor with antioxidant property to enhance learning and memory. Eur J Med Chem, Volume 163, 2019";ChEMBL
Chlorpromazine;MM00461;CN(C)CCCN1c2ccccc2Sc2ccc(Cl)cc21;ZPEIMTDSQAKGNT-UHFFFAOYSA-N;318.87;4.89;2726;DB00477;Z80;CHEMBL71;BBB;EPAM;25;0;"<a href=https://www.ebi.ac.uk/chembl/assay_report_card/CHEMBL3089055/  target=_blank>CHEMBL3089055</a>";;;;;;;;;-5.22;;;;;;;;;;;;"Luo Z, Sheng J, Sun Y, Lu C, Yan J, Liu A, Luo HB, Huang L, Li X.: Synthesis and evaluation of multi-target-directed ligands against Alzheimer's disease based on the fusion of donepezil and ebselen. J Med Chem, Volume 56 (22), 2013";ChEMBL
Chlorpromazine;MM00461;CN(C)CCCN1c2ccccc2Sc2ccc(Cl)cc21;ZPEIMTDSQAKGNT-UHFFFAOYSA-N;318.87;4.89;2726;DB00477;Z80;CHEMBL71;BBB;EPAM;25;0;"<a href=https://www.ebi.ac.uk/chembl/assay_report_card/CHEMBL1105051/  target=_blank>CHEMBL1105051</a>";;;;;;;;;-4.96;;;;;;;;;;;;"Arce MP, Rodríguez-Franco MI, González-Muñoz GC, Pérez C, López B, Villarroya M, López MG, García AG, Conde S.: Neuroprotective and cholinergic properties of multifunctional glutamic acid derivatives for the treatment of Alzheimer's disease. J Med Chem, Volume 52 (22), 2009";ChEMBL
Desipramine;MM00474;CNCCCN1c2ccccc2CCc2ccccc21;HCYAFALTSJYZDH-UHFFFAOYSA-N;266.39;3.53;2995;DB01151;DSM;CHEMBL72;BBB;EPAM;25;0;"<a href=https://www.ebi.ac.uk/chembl/assay_report_card/CHEMBL3859151/  target=_blank>CHEMBL3859151</a>";;;;;;;;;-4.92;;;;;;;;;;;;"Sola I, Artigas A, Taylor MC, Pérez-Areales FJ, Viayna E, Clos MV, Pérez B, Wright CW, Kelly JM, Muñoz-Torrero D.: Synthesis and biological evaluation of N-cyanoalkyl-, N-aminoalkyl-, and N-guanidinoalkyl-substituted 4-aminoquinoline derivatives as potent, selective, brain permeable antitrypanosomal agents. Bioorg Med Chem, Volume 24 (21), 2016";ChEMBL
Desipramine;MM00474;CNCCCN1c2ccccc2CCc2ccccc21;HCYAFALTSJYZDH-UHFFFAOYSA-N;266.39;3.53;2995;DB01151;DSM;CHEMBL72;BBB;EPAM;25;0;"<a href=https://www.ebi.ac.uk/chembl/assay_report_card/CHEMBL1960718/  target=_blank>CHEMBL1960718</a>";;;;;;;;;-5;;;;;;;;;;;;"Tang H, Zhao HT, Zhong SM, Wang ZY, Chen ZF, Liang H.: Novel oxoisoaporphine-based inhibitors of acetyl- and butyrylcholinesterase and acetylcholinesterase-induced beta-amyloid aggregation. Bioorg Med Chem Lett, Volume 22 (6), 2012";ChEMBL
Desipramine;MM00474;CNCCCN1c2ccccc2CCc2ccccc21;HCYAFALTSJYZDH-UHFFFAOYSA-N;266.39;3.53;2995;DB01151;DSM;CHEMBL72;BBB;EPAM;25;0;"<a href=https://www.ebi.ac.uk/chembl/assay_report_card/CHEMBL3383778/  target=_blank>CHEMBL3383778</a>";;;;;;;;;-4.75;;;;;;;;;;;;"Sola I, Artigas A, Taylor MC, Gbedema SY, Pérez B, Clos MV, Wright CW, Kelly JM, Muñoz-Torrero D.: Synthesis and antiprotozoal activity of oligomethylene- and  p-phenylene-bis(methylene)-linked bis(+)-huprines. Bioorg Med Chem Lett, Volume 24 (23), 2014";ChEMBL
Desipramine;MM00474;CNCCCN1c2ccccc2CCc2ccccc21;HCYAFALTSJYZDH-UHFFFAOYSA-N;266.39;3.53;2995;DB01151;DSM;CHEMBL72;BBB;EPAM;25;0;"<a href=https://www.ebi.ac.uk/chembl/assay_report_card/CHEMBL1833719/  target=_blank>CHEMBL1833719</a>";;;;;;;;;-5;;;;;;;;;;;;"Tang H, Zhao LZ, Zhao HT, Huang SL, Zhong SM, Qin JK, Chen ZF, Huang ZS, Liang H.: Hybrids of oxoisoaporphine-tacrine congeners: novel acetylcholinesterase and acetylcholinesterase-induced β-amyloid aggregation inhibitors. Eur J Med Chem, Volume 46 (10), 2011";ChEMBL
Desipramine;MM00474;CNCCCN1c2ccccc2CCc2ccccc21;HCYAFALTSJYZDH-UHFFFAOYSA-N;266.39;3.53;2995;DB01151;DSM;CHEMBL72;BBB;EPAM;25;0;"<a href=https://www.ebi.ac.uk/chembl/assay_report_card/CHEMBL1936479/  target=_blank>CHEMBL1936479</a>";;;;;;;;;-4.91;;;;;;;;;;;;"Chiriano G, De Simone A, Mancini F, Perez DI, Cavalli A, Bolognesi ML, Legname G, Martinez A, Andrisano V, Carloni P, Roberti M.: A small chemical library of 2-aminoimidazole derivatives as BACE-1 inhibitors: Structure-based design, synthesis, and biological evaluation. Eur J Med Chem, Volume 48, 2012";ChEMBL
Desipramine;MM00474;CNCCCN1c2ccccc2CCc2ccccc21;HCYAFALTSJYZDH-UHFFFAOYSA-N;266.39;3.53;2995;DB01151;DSM;CHEMBL72;BBB;EPAM;25;0;"<a href=https://www.ebi.ac.uk/chembl/assay_report_card/CHEMBL2162575/  target=_blank>CHEMBL2162575</a>";;;;;;;;;-4.84;;;;;;;;;;;;"Chavarría C, Perez DI, Pérez C, Morales Garcia JA, Alonso-Gil S, Pérez-Castillo A, Gil C, Souza JM, Porcal W.: Microwave-assisted synthesis of hydroxyphenyl nitrones with protective action against oxidative stress. Eur J Med Chem, Volume 58, 2012";ChEMBL
Desipramine;MM00474;CNCCCN1c2ccccc2CCc2ccccc21;HCYAFALTSJYZDH-UHFFFAOYSA-N;266.39;3.53;2995;DB01151;DSM;CHEMBL72;BBB;EPAM;25;0;"<a href=https://www.ebi.ac.uk/chembl/assay_report_card/CHEMBL3364959/  target=_blank>CHEMBL3364959</a>";;;;;;;;;-4.75;;;;;;;;;;;;"Di Pietro O, Pérez-Areales FJ, Juárez-Jiménez J, Espargaró A, Clos MV, Pérez B, Lavilla R, Sabaté R, Luque FJ, Muñoz-Torrero D.: Tetrahydrobenzo[h][1,6]naphthyridine-6-chlorotacrine hybrids as a new family of anti-Alzheimer agents targeting β-amyloid, tau, and cholinesterase pathologies. Eur J Med Chem, Volume 84, 2014";ChEMBL
Desipramine;MM00474;CNCCCN1c2ccccc2CCc2ccccc21;HCYAFALTSJYZDH-UHFFFAOYSA-N;266.39;3.53;2995;DB01151;DSM;CHEMBL72;BBB;EPAM;25;0;"<a href=https://www.ebi.ac.uk/chembl/assay_report_card/CHEMBL3743403/  target=_blank>CHEMBL3743403</a>";;;;;;;;;-4.92;;;;;;;;;;;;"Di Pietro O, Vicente-García E, Taylor MC, Berenguer D, Viayna E, Lanzoni A, Sola I, Sayago H, Riera C, Fisa R, Clos MV, Pérez B, Kelly JM, Lavilla R, Muñoz-Torrero D.: Multicomponent reaction-based synthesis and biological evaluation of tricyclic heterofused quinolines with multi-trypanosomatid activity. Eur J Med Chem, Volume 105, 2015";ChEMBL
Desipramine;MM00474;CNCCCN1c2ccccc2CCc2ccccc21;HCYAFALTSJYZDH-UHFFFAOYSA-N;266.39;3.53;2995;DB01151;DSM;CHEMBL72;BBB;EPAM;25;0;"<a href=https://www.ebi.ac.uk/chembl/assay_report_card/CHEMBL4192184/  target=_blank>CHEMBL4192184</a>";;;;;;;;;-4.92;;;;;;;;;;;;"Salado IG, Zaldivar-Diez J, Sebastián-Pérez V, Li L, Geiger L, González S, Campillo NE, Gil C, Morales AV, Perez DI, Martinez A.: Leucine rich repeat kinase 2 (LRRK2) inhibitors based on indolinone scaffold: Potential pro-neurogenic agents. Eur J Med Chem, Volume 138, 2017";ChEMBL
Desipramine;MM00474;CNCCCN1c2ccccc2CCc2ccccc21;HCYAFALTSJYZDH-UHFFFAOYSA-N;266.39;3.53;2995;DB01151;DSM;CHEMBL72;BBB;EPAM;25;0;"<a href=https://www.ebi.ac.uk/chembl/assay_report_card/CHEMBL4198703/  target=_blank>CHEMBL4198703</a>";;;;;;;;;-5.3;;;;;;;;;;;;"Hepnarova V, Korabecny J, Matouskova L, Jost P, Muckova L, Hrabinova M, Vykoukalova N, Kerhartova M, Kucera T, Dolezal R, Nepovimova E, Spilovska K, Mezeiova E, Pham NL, Jun D, Staud F, Kaping D, Kuca K, Soukup O.: The concept of hybrid molecules of tacrine and benzyl quinolone carboxylic acid (BQCA) as multifunctional agents for Alzheimer's disease. Eur J Med Chem, Volume 150, 2018";ChEMBL
Desipramine;MM00474;CNCCCN1c2ccccc2CCc2ccccc21;HCYAFALTSJYZDH-UHFFFAOYSA-N;266.39;3.53;2995;DB01151;DSM;CHEMBL72;BBB;EPAM;25;0;"<a href=https://www.ebi.ac.uk/chembl/assay_report_card/CHEMBL4198704/  target=_blank>CHEMBL4198704</a>";;;;;;;;;-5.24;;;;;;;;;;;;"Hepnarova V, Korabecny J, Matouskova L, Jost P, Muckova L, Hrabinova M, Vykoukalova N, Kerhartova M, Kucera T, Dolezal R, Nepovimova E, Spilovska K, Mezeiova E, Pham NL, Jun D, Staud F, Kaping D, Kuca K, Soukup O.: The concept of hybrid molecules of tacrine and benzyl quinolone carboxylic acid (BQCA) as multifunctional agents for Alzheimer's disease. Eur J Med Chem, Volume 150, 2018";ChEMBL
Desipramine;MM00474;CNCCCN1c2ccccc2CCc2ccccc21;HCYAFALTSJYZDH-UHFFFAOYSA-N;266.39;3.53;2995;DB01151;DSM;CHEMBL72;BBB;EPAM;25;0;"<a href=https://www.ebi.ac.uk/chembl/assay_report_card/CHEMBL3858482/  target=_blank>CHEMBL3858482</a>";;;;;;;;;-4.78;;;;;;;;;;;;"Li X, Wang H, Lu Z, Zheng X, Ni W, Zhu J, Fu Y, Lian F, Zhang N, Li J, Zhang H, Mao F.: Development of Multifunctional Pyrimidinylthiourea Derivatives as Potential Anti-Alzheimer Agents. J Med Chem, Volume 59 (18), 2016";ChEMBL
Desipramine;MM00474;CNCCCN1c2ccccc2CCc2ccccc21;HCYAFALTSJYZDH-UHFFFAOYSA-N;266.39;3.53;2995;DB01151;DSM;CHEMBL72;BBB;EPAM;25;0;"<a href=https://www.ebi.ac.uk/chembl/assay_report_card/CHEMBL3239333/  target=_blank>CHEMBL3239333</a>";;;;;;;;;-4.84;;;;;;;;;;;;"Salado IG, Redondo M, Bello ML, Perez C, Liachko NF, Kraemer BC, Miguel L, Lecourtois M, Gil C, Martinez A, Perez DI.: Protein kinase CK-1 inhibitors as new potential drugs for amyotrophic lateral sclerosis. J Med Chem, Volume 57 (6), 2014";ChEMBL
Desipramine;MM00474;CNCCCN1c2ccccc2CCc2ccccc21;HCYAFALTSJYZDH-UHFFFAOYSA-N;266.39;3.53;2995;DB01151;DSM;CHEMBL72;BBB;EPAM;25;0;"<a href=https://www.ebi.ac.uk/chembl/assay_report_card/CHEMBL1105051/  target=_blank>CHEMBL1105051</a>";;;;;;;;;-4.79;;;;;;;;;;;;"Arce MP, Rodríguez-Franco MI, González-Muñoz GC, Pérez C, López B, Villarroya M, López MG, García AG, Conde S.: Neuroprotective and cholinergic properties of multifunctional glutamic acid derivatives for the treatment of Alzheimer's disease. J Med Chem, Volume 52 (22), 2009";ChEMBL
MM474575;MM474575;CN1CC(=O)N2[C@H](c3ccc4c(c3)OCO4)c3[nH]c4ccccc4c3C[C@@H]2C1=O;;389.41;2.21;;;;CHEMBL779;BBB;EPAM;25;0;"<a href=https://www.ebi.ac.uk/chembl/assay_report_card/CHEMBL4198925/  target=_blank>CHEMBL4198925</a>";;;;;;;;;-5.57;;;;;;;;;;;;"Rabal O, Sánchez-Arias JA, Cuadrado-Tejedor M, de Miguel I, Pérez-González M, García-Barroso C, Ugarte A, Estella-Hermoso de Mendoza A, Sáez E, Espelosin M, Ursua S, Haizhong T, Wei W, Musheng X, Garcia-Osta A, Oyarzabal J.: Design, synthesis, biological evaluation and in vivo testing of dual phosphodiesterase 5 (PDE5) and histone deacetylase 6 (HDAC6)-selective inhibitors for the treatment of Alzheimer's disease. Eur J Med Chem, Volume 150, 2018";ChEMBL
MM474575;MM474575;CN1CC(=O)N2[C@H](c3ccc4c(c3)OCO4)c3[nH]c4ccccc4c3C[C@@H]2C1=O;;389.41;2.21;;;;CHEMBL779;BBB;EPAM;25;0;"<a href=https://www.ebi.ac.uk/chembl/assay_report_card/CHEMBL3861001/  target=_blank>CHEMBL3861001</a>";;;;;;;;;-5.57;;;;;;;;;;;;"Rabal O, Sánchez-Arias JA, Cuadrado-Tejedor M, de Miguel I, Pérez-González M, García-Barroso C, Ugarte A, Estella-Hermoso de Mendoza A, Sáez E, Espelosin M, Ursua S, Haizhong T, Wei W, Musheng X, Garcia-Osta A, Oyarzabal J.: Design, Synthesis, and Biological Evaluation of First-in-Class Dual Acting Histone Deacetylases (HDACs) and Phosphodiesterase 5 (PDE5) Inhibitors for the Treatment of Alzheimer's Disease. J Med Chem, Volume 59 (19), 2016";ChEMBL
Lidocaine;MM00092;CCN(CC)CC(=O)Nc1c(C)cccc1C;NNJVILVZKWQKPM-UHFFFAOYSA-N;234.34;2.58;3676;DB00281;LQZ;CHEMBL79;BBB;EPAM;25;0;"ph = 7.4, <a href=https://www.ebi.ac.uk/chembl/assay_report_card/CHEMBL4005804/  target=_blank>CHEMBL4005804</a>";;;;;;;;;-4.58;;;;;;;;;;;;"Elkamhawy A, Park JE, Hassan AHE, Ra H, Pae AN, Lee J, Park BG, Moon B, Park HM, Roh EJ.: Discovery of 1-(3-(benzyloxy)pyridin-2-yl)-3-(2-(piperazin-1-yl)ethyl)urea: A new modulator for amyloid beta-induced mitochondrial dysfunction. Eur J Med Chem, Volume 128, 2017";ChEMBL
Enoxacin;MM00733;CCn1cc(C(=O)O)c(=O)c2cc(F)c(N3CCNCC3)nc21;IDYZIJYBMGIQMJ-UHFFFAOYSA-N;320.32;0.66;3229;DB00467;;CHEMBL826;BBB;EPAM;25;0;"<a href=https://www.ebi.ac.uk/chembl/assay_report_card/CHEMBL3406060/  target=_blank>CHEMBL3406060</a>";;;;;;;;;-6.05;;;;;;;;;;;;"Sang Z, Li Y, Qiang X, Xiao G, Liu Q, Tan Z, Deng Y.: Multifunctional scutellarin-rivastigmine hybrids with cholinergic, antioxidant, biometal chelating and neuroprotective properties for the treatment of Alzheimer's disease. Bioorg Med Chem, Volume 23 (4), 2015";ChEMBL
Enoxacin;MM00733;CCn1cc(C(=O)O)c(=O)c2cc(F)c(N3CCNCC3)nc21;IDYZIJYBMGIQMJ-UHFFFAOYSA-N;320.32;0.66;3229;DB00467;;CHEMBL826;BBB;EPAM;25;0;"<a href=https://www.ebi.ac.uk/chembl/assay_report_card/CHEMBL3406061/  target=_blank>CHEMBL3406061</a>";;;;;;;;;-6.33;;;;;;;;;;;;"Sang Z, Li Y, Qiang X, Xiao G, Liu Q, Tan Z, Deng Y.: Multifunctional scutellarin-rivastigmine hybrids with cholinergic, antioxidant, biometal chelating and neuroprotective properties for the treatment of Alzheimer's disease. Bioorg Med Chem, Volume 23 (4), 2015";ChEMBL
Enoxacin;MM00733;CCn1cc(C(=O)O)c(=O)c2cc(F)c(N3CCNCC3)nc21;IDYZIJYBMGIQMJ-UHFFFAOYSA-N;320.32;0.66;3229;DB00467;;CHEMBL826;BBB;EPAM;25;0;"<a href=https://www.ebi.ac.uk/chembl/assay_report_card/CHEMBL3874684/  target=_blank>CHEMBL3874684</a>";;;;;;;;;-6.33;;;;;;;;;;;;"Li Y, Qiang X, Luo L, Yang X, Xiao G, Zheng Y, Cao Z, Sang Z, Su F, Deng Y.: Multitarget drug design strategy against Alzheimer's disease: Homoisoflavonoid Mannich base derivatives serve as acetylcholinesterase and monoamine oxidase B dual inhibitors with multifunctional properties. Bioorg Med Chem, Volume 25 (2), 2017";ChEMBL
Enoxacin;MM00733;CCn1cc(C(=O)O)c(=O)c2cc(F)c(N3CCNCC3)nc21;IDYZIJYBMGIQMJ-UHFFFAOYSA-N;320.32;0.66;3229;DB00467;;CHEMBL826;BBB;EPAM;25;0;"<a href=https://www.ebi.ac.uk/chembl/assay_report_card/CHEMBL3874685/  target=_blank>CHEMBL3874685</a>";;;;;;;;;-6.05;;;;;;;;;;;;"Li Y, Qiang X, Luo L, Yang X, Xiao G, Zheng Y, Cao Z, Sang Z, Su F, Deng Y.: Multitarget drug design strategy against Alzheimer's disease: Homoisoflavonoid Mannich base derivatives serve as acetylcholinesterase and monoamine oxidase B dual inhibitors with multifunctional properties. Bioorg Med Chem, Volume 25 (2), 2017";ChEMBL
Enoxacin;MM00733;CCn1cc(C(=O)O)c(=O)c2cc(F)c(N3CCNCC3)nc21;IDYZIJYBMGIQMJ-UHFFFAOYSA-N;320.32;0.66;3229;DB00467;;CHEMBL826;BBB;EPAM;25;0;"<a href=https://www.ebi.ac.uk/chembl/assay_report_card/CHEMBL3876767/  target=_blank>CHEMBL3876767</a>";;;;;;;;;-6.26;;;;;;;;;;;;"Xiao G, Li Y, Qiang X, Xu R, Zheng Y, Cao Z, Luo L, Yang X, Sang Z, Su F, Deng Y.: Design, synthesis and biological evaluation of 4'-aminochalcone-rivastigmine hybrids as multifunctional agents for the treatment of Alzheimer's disease. Bioorg Med Chem, Volume 25 (3), 2017";ChEMBL
Enoxacin;MM00733;CCn1cc(C(=O)O)c(=O)c2cc(F)c(N3CCNCC3)nc21;IDYZIJYBMGIQMJ-UHFFFAOYSA-N;320.32;0.66;3229;DB00467;;CHEMBL826;BBB;EPAM;25;0;"<a href=https://www.ebi.ac.uk/chembl/assay_report_card/CHEMBL1960718/  target=_blank>CHEMBL1960718</a>";;;;;;;;;-6.3;;;;;;;;;;;;"Tang H, Zhao HT, Zhong SM, Wang ZY, Chen ZF, Liang H.: Novel oxoisoaporphine-based inhibitors of acetyl- and butyrylcholinesterase and acetylcholinesterase-induced beta-amyloid aggregation. Bioorg Med Chem Lett, Volume 22 (6), 2012";ChEMBL
Enoxacin;MM00733;CCn1cc(C(=O)O)c(=O)c2cc(F)c(N3CCNCC3)nc21;IDYZIJYBMGIQMJ-UHFFFAOYSA-N;320.32;0.66;3229;DB00467;;CHEMBL826;BBB;EPAM;25;0;"<a href=https://www.ebi.ac.uk/chembl/assay_report_card/CHEMBL4004497/  target=_blank>CHEMBL4004497</a>";;;;;;;;;-6.33;;;;;;;;;;;;"Qiang X, Li Y, Yang X, Luo L, Xu R, Zheng Y, Cao Z, Tan Z, Deng Y.: DL-3-n-butylphthalide-Edaravone hybrids as novel dual inhibitors of amyloid-β aggregation and monoamine oxidases with high antioxidant potency for Alzheimer's therapy. Bioorg Med Chem Lett, Volume 27 (4), 2017";ChEMBL
Enoxacin;MM00733;CCn1cc(C(=O)O)c(=O)c2cc(F)c(N3CCNCC3)nc21;IDYZIJYBMGIQMJ-UHFFFAOYSA-N;320.32;0.66;3229;DB00467;;CHEMBL826;BBB;EPAM;25;0;"<a href=https://www.ebi.ac.uk/chembl/assay_report_card/CHEMBL4048115/  target=_blank>CHEMBL4048115</a>";;;;;;;;;-6.33;;;;;;;;;;;;"Sang Z, Wang K, Wang H, Wang H, Ma Q, Han X, Ye M, Yu L, Liu W.: Design, synthesis and biological evaluation of 2-acetyl-5-O-(amino-alkyl)phenol derivatives as multifunctional agents for the treatment of Alzheimer's disease. Bioorg Med Chem Lett, Volume 27 (22), 2017";ChEMBL
Enoxacin;MM00733;CCn1cc(C(=O)O)c(=O)c2cc(F)c(N3CCNCC3)nc21;IDYZIJYBMGIQMJ-UHFFFAOYSA-N;320.32;0.66;3229;DB00467;;CHEMBL826;BBB;EPAM;25;0;"<a href=https://www.ebi.ac.uk/chembl/assay_report_card/CHEMBL1833719/  target=_blank>CHEMBL1833719</a>";;;;;;;;;-6.3;;;;;;;;;;;;"Tang H, Zhao LZ, Zhao HT, Huang SL, Zhong SM, Qin JK, Chen ZF, Huang ZS, Liang H.: Hybrids of oxoisoaporphine-tacrine congeners: novel acetylcholinesterase and acetylcholinesterase-induced β-amyloid aggregation inhibitors. Eur J Med Chem, Volume 46 (10), 2011";ChEMBL
Enoxacin;MM00733;CCn1cc(C(=O)O)c(=O)c2cc(F)c(N3CCNCC3)nc21;IDYZIJYBMGIQMJ-UHFFFAOYSA-N;320.32;0.66;3229;DB00467;;CHEMBL826;BBB;EPAM;25;0;"<a href=https://www.ebi.ac.uk/chembl/assay_report_card/CHEMBL1936479/  target=_blank>CHEMBL1936479</a>";;;;;;;;;-6.52;;;;;;;;;;;;"Chiriano G, De Simone A, Mancini F, Perez DI, Cavalli A, Bolognesi ML, Legname G, Martinez A, Andrisano V, Carloni P, Roberti M.: A small chemical library of 2-aminoimidazole derivatives as BACE-1 inhibitors: Structure-based design, synthesis, and biological evaluation. Eur J Med Chem, Volume 48, 2012";ChEMBL
Enoxacin;MM00733;CCn1cc(C(=O)O)c(=O)c2cc(F)c(N3CCNCC3)nc21;IDYZIJYBMGIQMJ-UHFFFAOYSA-N;320.32;0.66;3229;DB00467;;CHEMBL826;BBB;EPAM;25;0;"<a href=https://www.ebi.ac.uk/chembl/assay_report_card/CHEMBL2162575/  target=_blank>CHEMBL2162575</a>";;;;;;;;;-5.77;;;;;;;;;;;;"Chavarría C, Perez DI, Pérez C, Morales Garcia JA, Alonso-Gil S, Pérez-Castillo A, Gil C, Souza JM, Porcal W.: Microwave-assisted synthesis of hydroxyphenyl nitrones with protective action against oxidative stress. Eur J Med Chem, Volume 58, 2012";ChEMBL
Enoxacin;MM00733;CCn1cc(C(=O)O)c(=O)c2cc(F)c(N3CCNCC3)nc21;IDYZIJYBMGIQMJ-UHFFFAOYSA-N;320.32;0.66;3229;DB00467;;CHEMBL826;BBB;EPAM;25;0;"<a href=https://www.ebi.ac.uk/chembl/assay_report_card/CHEMBL4003401/  target=_blank>CHEMBL4003401</a>";;;;;;;;;-6.33;;;;;;;;;;;;"Li Y, Qiang X, Luo L, Yang X, Xiao G, Liu Q, Ai J, Tan Z, Deng Y.: Aurone Mannich base derivatives as promising multifunctional agents with acetylcholinesterase inhibition, anti-β-amyloid aggragation and neuroprotective properties for the treatment of Alzheimer's disease. Eur J Med Chem, Volume 126, 2017";ChEMBL
Enoxacin;MM00733;CCn1cc(C(=O)O)c(=O)c2cc(F)c(N3CCNCC3)nc21;IDYZIJYBMGIQMJ-UHFFFAOYSA-N;320.32;0.66;3229;DB00467;;CHEMBL826;BBB;EPAM;25;0;"<a href=https://www.ebi.ac.uk/chembl/assay_report_card/CHEMBL4003402/  target=_blank>CHEMBL4003402</a>";;;;;;;;;-6.05;;;;;;;;;;;;"Li Y, Qiang X, Luo L, Yang X, Xiao G, Liu Q, Ai J, Tan Z, Deng Y.: Aurone Mannich base derivatives as promising multifunctional agents with acetylcholinesterase inhibition, anti-β-amyloid aggragation and neuroprotective properties for the treatment of Alzheimer's disease. Eur J Med Chem, Volume 126, 2017";ChEMBL
Enoxacin;MM00733;CCn1cc(C(=O)O)c(=O)c2cc(F)c(N3CCNCC3)nc21;IDYZIJYBMGIQMJ-UHFFFAOYSA-N;320.32;0.66;3229;DB00467;;CHEMBL826;BBB;EPAM;25;0;"<a href=https://www.ebi.ac.uk/chembl/assay_report_card/CHEMBL4192184/  target=_blank>CHEMBL4192184</a>";;;;;;;;;-6.05;;;;;;;;;;;;"Salado IG, Zaldivar-Diez J, Sebastián-Pérez V, Li L, Geiger L, González S, Campillo NE, Gil C, Morales AV, Perez DI, Martinez A.: Leucine rich repeat kinase 2 (LRRK2) inhibitors based on indolinone scaffold: Potential pro-neurogenic agents. Eur J Med Chem, Volume 138, 2017";ChEMBL
Enoxacin;MM00733;CCn1cc(C(=O)O)c(=O)c2cc(F)c(N3CCNCC3)nc21;IDYZIJYBMGIQMJ-UHFFFAOYSA-N;320.32;0.66;3229;DB00467;;CHEMBL826;BBB;EPAM;25;0;"<a href=https://www.ebi.ac.uk/chembl/assay_report_card/CHEMBL3239333/  target=_blank>CHEMBL3239333</a>";;;;;;;;;-6.7;;;;;;;;;;;;"Salado IG, Redondo M, Bello ML, Perez C, Liachko NF, Kraemer BC, Miguel L, Lecourtois M, Gil C, Martinez A, Perez DI.: Protein kinase CK-1 inhibitors as new potential drugs for amyotrophic lateral sclerosis. J Med Chem, Volume 57 (6), 2014";ChEMBL
Enoxacin;MM00733;CCn1cc(C(=O)O)c(=O)c2cc(F)c(N3CCNCC3)nc21;IDYZIJYBMGIQMJ-UHFFFAOYSA-N;320.32;0.66;3229;DB00467;;CHEMBL826;BBB;EPAM;25;0;"<a href=https://www.ebi.ac.uk/chembl/assay_report_card/CHEMBL1004514/  target=_blank>CHEMBL1004514</a>";;;;;;;;;-6.22;;;;;;;;;;;;"Marco-Contelles J, León R, de los Ríos C, Samadi A, Bartolini M, Andrisano V, Huertas O, Barril X, Luque FJ, Rodríguez-Franco MI, López B, López MG, García AG, Carreiras Mdo C, Villarroya M.: Tacripyrines, the first tacrine-dihydropyridine hybrids, as multitarget-directed ligands for the treatment of Alzheimer's disease. J Med Chem, Volume 52 (9), 2009";ChEMBL
Enoxacin;MM00733;CCn1cc(C(=O)O)c(=O)c2cc(F)c(N3CCNCC3)nc21;IDYZIJYBMGIQMJ-UHFFFAOYSA-N;320.32;0.66;3229;DB00467;;CHEMBL826;BBB;EPAM;25;0;"<a href=https://www.ebi.ac.uk/chembl/assay_report_card/CHEMBL1105051/  target=_blank>CHEMBL1105051</a>";;;;;;;;;-5.59;;;;;;;;;;;;"Arce MP, Rodríguez-Franco MI, González-Muñoz GC, Pérez C, López B, Villarroya M, López MG, García AG, Conde S.: Neuroprotective and cholinergic properties of multifunctional glutamic acid derivatives for the treatment of Alzheimer's disease. J Med Chem, Volume 52 (22), 2009";ChEMBL
Norfloxacin;MM00768;CCn1cc(C(=O)O)c(=O)c2cc(F)c(N3CCNCC3)cc21;OGJPXUAPXNRGGI-UHFFFAOYSA-N;319.34;1.27;4539;DB01059;;CHEMBL9;BBB;EPAM;25;0;"<a href=https://www.ebi.ac.uk/chembl/assay_report_card/CHEMBL3406060/  target=_blank>CHEMBL3406060</a>";;;;;;;;;-7;;;;;;;;;;;;"Sang Z, Li Y, Qiang X, Xiao G, Liu Q, Tan Z, Deng Y.: Multifunctional scutellarin-rivastigmine hybrids with cholinergic, antioxidant, biometal chelating and neuroprotective properties for the treatment of Alzheimer's disease. Bioorg Med Chem, Volume 23 (4), 2015";ChEMBL
Norfloxacin;MM00768;CCn1cc(C(=O)O)c(=O)c2cc(F)c(N3CCNCC3)cc21;OGJPXUAPXNRGGI-UHFFFAOYSA-N;319.34;1.27;4539;DB01059;;CHEMBL9;BBB;EPAM;25;0;"<a href=https://www.ebi.ac.uk/chembl/assay_report_card/CHEMBL3406061/  target=_blank>CHEMBL3406061</a>";;;;;;;;;-6.38;;;;;;;;;;;;"Sang Z, Li Y, Qiang X, Xiao G, Liu Q, Tan Z, Deng Y.: Multifunctional scutellarin-rivastigmine hybrids with cholinergic, antioxidant, biometal chelating and neuroprotective properties for the treatment of Alzheimer's disease. Bioorg Med Chem, Volume 23 (4), 2015";ChEMBL
Norfloxacin;MM00768;CCn1cc(C(=O)O)c(=O)c2cc(F)c(N3CCNCC3)cc21;OGJPXUAPXNRGGI-UHFFFAOYSA-N;319.34;1.27;4539;DB01059;;CHEMBL9;BBB;EPAM;25;0;"<a href=https://www.ebi.ac.uk/chembl/assay_report_card/CHEMBL3859151/  target=_blank>CHEMBL3859151</a>";;;;;;;;;-7;;;;;;;;;;;;"Sola I, Artigas A, Taylor MC, Pérez-Areales FJ, Viayna E, Clos MV, Pérez B, Wright CW, Kelly JM, Muñoz-Torrero D.: Synthesis and biological evaluation of N-cyanoalkyl-, N-aminoalkyl-, and N-guanidinoalkyl-substituted 4-aminoquinoline derivatives as potent, selective, brain permeable antitrypanosomal agents. Bioorg Med Chem, Volume 24 (21), 2016";ChEMBL
Norfloxacin;MM00768;CCn1cc(C(=O)O)c(=O)c2cc(F)c(N3CCNCC3)cc21;OGJPXUAPXNRGGI-UHFFFAOYSA-N;319.34;1.27;4539;DB01059;;CHEMBL9;BBB;EPAM;25;0;"<a href=https://www.ebi.ac.uk/chembl/assay_report_card/CHEMBL3874684/  target=_blank>CHEMBL3874684</a>";;;;;;;;;-6.38;;;;;;;;;;;;"Li Y, Qiang X, Luo L, Yang X, Xiao G, Zheng Y, Cao Z, Sang Z, Su F, Deng Y.: Multitarget drug design strategy against Alzheimer's disease: Homoisoflavonoid Mannich base derivatives serve as acetylcholinesterase and monoamine oxidase B dual inhibitors with multifunctional properties. Bioorg Med Chem, Volume 25 (2), 2017";ChEMBL
Norfloxacin;MM00768;CCn1cc(C(=O)O)c(=O)c2cc(F)c(N3CCNCC3)cc21;OGJPXUAPXNRGGI-UHFFFAOYSA-N;319.34;1.27;4539;DB01059;;CHEMBL9;BBB;EPAM;25;0;"<a href=https://www.ebi.ac.uk/chembl/assay_report_card/CHEMBL3874685/  target=_blank>CHEMBL3874685</a>";;;;;;;;;-7;;;;;;;;;;;;"Li Y, Qiang X, Luo L, Yang X, Xiao G, Zheng Y, Cao Z, Sang Z, Su F, Deng Y.: Multitarget drug design strategy against Alzheimer's disease: Homoisoflavonoid Mannich base derivatives serve as acetylcholinesterase and monoamine oxidase B dual inhibitors with multifunctional properties. Bioorg Med Chem, Volume 25 (2), 2017";ChEMBL
Norfloxacin;MM00768;CCn1cc(C(=O)O)c(=O)c2cc(F)c(N3CCNCC3)cc21;OGJPXUAPXNRGGI-UHFFFAOYSA-N;319.34;1.27;4539;DB01059;;CHEMBL9;BBB;EPAM;25;0;"<a href=https://www.ebi.ac.uk/chembl/assay_report_card/CHEMBL3876767/  target=_blank>CHEMBL3876767</a>";;;;;;;;;-6.48;;;;;;;;;;;;"Xiao G, Li Y, Qiang X, Xu R, Zheng Y, Cao Z, Luo L, Yang X, Sang Z, Su F, Deng Y.: Design, synthesis and biological evaluation of 4'-aminochalcone-rivastigmine hybrids as multifunctional agents for the treatment of Alzheimer's disease. Bioorg Med Chem, Volume 25 (3), 2017";ChEMBL
Norfloxacin;MM00768;CCn1cc(C(=O)O)c(=O)c2cc(F)c(N3CCNCC3)cc21;OGJPXUAPXNRGGI-UHFFFAOYSA-N;319.34;1.27;4539;DB01059;;CHEMBL9;BBB;EPAM;25;0;"<a href=https://www.ebi.ac.uk/chembl/assay_report_card/CHEMBL3994367/  target=_blank>CHEMBL3994367</a>";;;;;;;;;-6.48;;;;;;;;;;;;"Luo L, Li Y, Qiang X, Cao Z, Xu R, Yang X, Xiao G, Song Q, Tan Z, Deng Y.: Multifunctional thioxanthone derivatives with acetylcholinesterase, monoamine oxidases and β-amyloid aggregation inhibitory activities as potential agents against Alzheimer's disease. Bioorg Med Chem, Volume 25 (6), 2017";ChEMBL
Norfloxacin;MM00768;CCn1cc(C(=O)O)c(=O)c2cc(F)c(N3CCNCC3)cc21;OGJPXUAPXNRGGI-UHFFFAOYSA-N;319.34;1.27;4539;DB01059;;CHEMBL9;BBB;EPAM;25;0;"ph = 7.4, <a href=https://www.ebi.ac.uk/chembl/assay_report_card/CHEMBL3994366/  target=_blank>CHEMBL3994366</a>";;;;;;;;;-7;;;;;;;;;;;;"Luo L, Li Y, Qiang X, Cao Z, Xu R, Yang X, Xiao G, Song Q, Tan Z, Deng Y.: Multifunctional thioxanthone derivatives with acetylcholinesterase, monoamine oxidases and β-amyloid aggregation inhibitory activities as potential agents against Alzheimer's disease. Bioorg Med Chem, Volume 25 (6), 2017";ChEMBL
Norfloxacin;MM00768;CCn1cc(C(=O)O)c(=O)c2cc(F)c(N3CCNCC3)cc21;OGJPXUAPXNRGGI-UHFFFAOYSA-N;319.34;1.27;4539;DB01059;;CHEMBL9;BBB;EPAM;25;0;"<a href=https://www.ebi.ac.uk/chembl/assay_report_card/CHEMBL3383778/  target=_blank>CHEMBL3383778</a>";;;;;;;;;-6.05;;;;;;;;;;;;"Sola I, Artigas A, Taylor MC, Gbedema SY, Pérez B, Clos MV, Wright CW, Kelly JM, Muñoz-Torrero D.: Synthesis and antiprotozoal activity of oligomethylene- and  p-phenylene-bis(methylene)-linked bis(+)-huprines. Bioorg Med Chem Lett, Volume 24 (23), 2014";ChEMBL
Norfloxacin;MM00768;CCn1cc(C(=O)O)c(=O)c2cc(F)c(N3CCNCC3)cc21;OGJPXUAPXNRGGI-UHFFFAOYSA-N;319.34;1.27;4539;DB01059;;CHEMBL9;BBB;EPAM;25;0;"<a href=https://www.ebi.ac.uk/chembl/assay_report_card/CHEMBL4004497/  target=_blank>CHEMBL4004497</a>";;;;;;;;;-6.38;;;;;;;;;;;;"Qiang X, Li Y, Yang X, Luo L, Xu R, Zheng Y, Cao Z, Tan Z, Deng Y.: DL-3-n-butylphthalide-Edaravone hybrids as novel dual inhibitors of amyloid-β aggregation and monoamine oxidases with high antioxidant potency for Alzheimer's therapy. Bioorg Med Chem Lett, Volume 27 (4), 2017";ChEMBL
Norfloxacin;MM00768;CCn1cc(C(=O)O)c(=O)c2cc(F)c(N3CCNCC3)cc21;OGJPXUAPXNRGGI-UHFFFAOYSA-N;319.34;1.27;4539;DB01059;;CHEMBL9;BBB;EPAM;25;0;"<a href=https://www.ebi.ac.uk/chembl/assay_report_card/CHEMBL4048115/  target=_blank>CHEMBL4048115</a>";;;;;;;;;-7;;;;;;;;;;;;"Sang Z, Wang K, Wang H, Wang H, Ma Q, Han X, Ye M, Yu L, Liu W.: Design, synthesis and biological evaluation of 2-acetyl-5-O-(amino-alkyl)phenol derivatives as multifunctional agents for the treatment of Alzheimer's disease. Bioorg Med Chem Lett, Volume 27 (22), 2017";ChEMBL
Norfloxacin;MM00768;CCn1cc(C(=O)O)c(=O)c2cc(F)c(N3CCNCC3)cc21;OGJPXUAPXNRGGI-UHFFFAOYSA-N;319.34;1.27;4539;DB01059;;CHEMBL9;BBB;EPAM;25;0;"<a href=https://www.ebi.ac.uk/chembl/assay_report_card/CHEMBL4188678/  target=_blank>CHEMBL4188678</a>";;;;;;;;;-6.02;;;;;;;;;;;;"Latacz G, Lubelska A, Jastrzębska-Więsek M, Partyka A, Kucwaj-Brysz K, Wesołowska A, Kieć-Kononowicz K, Handzlik J.: MF-8, a novel promising arylpiperazine-hydantoin based 5-HT7 receptor antagonist: In vitro drug-likeness studies and in vivo pharmacological evaluation. Bioorg Med Chem Lett, Volume 28 (5), 2018";ChEMBL
Norfloxacin;MM00768;CCn1cc(C(=O)O)c(=O)c2cc(F)c(N3CCNCC3)cc21;OGJPXUAPXNRGGI-UHFFFAOYSA-N;319.34;1.27;4539;DB01059;;CHEMBL9;BBB;EPAM;25;0;"<a href=https://www.ebi.ac.uk/chembl/assay_report_card/CHEMBL3364959/  target=_blank>CHEMBL3364959</a>";;;;;;;;;-6.05;;;;;;;;;;;;"Di Pietro O, Pérez-Areales FJ, Juárez-Jiménez J, Espargaró A, Clos MV, Pérez B, Lavilla R, Sabaté R, Luque FJ, Muñoz-Torrero D.: Tetrahydrobenzo[h][1,6]naphthyridine-6-chlorotacrine hybrids as a new family of anti-Alzheimer agents targeting β-amyloid, tau, and cholinesterase pathologies. Eur J Med Chem, Volume 84, 2014";ChEMBL
Norfloxacin;MM00768;CCn1cc(C(=O)O)c(=O)c2cc(F)c(N3CCNCC3)cc21;OGJPXUAPXNRGGI-UHFFFAOYSA-N;319.34;1.27;4539;DB01059;;CHEMBL9;BBB;EPAM;25;0;"<a href=https://www.ebi.ac.uk/chembl/assay_report_card/CHEMBL3743403/  target=_blank>CHEMBL3743403</a>";;;;;;;;;-7;;;;;;;;;;;;"Di Pietro O, Vicente-García E, Taylor MC, Berenguer D, Viayna E, Lanzoni A, Sola I, Sayago H, Riera C, Fisa R, Clos MV, Pérez B, Kelly JM, Lavilla R, Muñoz-Torrero D.: Multicomponent reaction-based synthesis and biological evaluation of tricyclic heterofused quinolines with multi-trypanosomatid activity. Eur J Med Chem, Volume 105, 2015";ChEMBL
Norfloxacin;MM00768;CCn1cc(C(=O)O)c(=O)c2cc(F)c(N3CCNCC3)cc21;OGJPXUAPXNRGGI-UHFFFAOYSA-N;319.34;1.27;4539;DB01059;;CHEMBL9;BBB;EPAM;25;0;"<a href=https://www.ebi.ac.uk/chembl/assay_report_card/CHEMBL4003401/  target=_blank>CHEMBL4003401</a>";;;;;;;;;-6.38;;;;;;;;;;;;"Li Y, Qiang X, Luo L, Yang X, Xiao G, Liu Q, Ai J, Tan Z, Deng Y.: Aurone Mannich base derivatives as promising multifunctional agents with acetylcholinesterase inhibition, anti-β-amyloid aggragation and neuroprotective properties for the treatment of Alzheimer's disease. Eur J Med Chem, Volume 126, 2017";ChEMBL
Norfloxacin;MM00768;CCn1cc(C(=O)O)c(=O)c2cc(F)c(N3CCNCC3)cc21;OGJPXUAPXNRGGI-UHFFFAOYSA-N;319.34;1.27;4539;DB01059;;CHEMBL9;BBB;EPAM;25;0;"<a href=https://www.ebi.ac.uk/chembl/assay_report_card/CHEMBL4003402/  target=_blank>CHEMBL4003402</a>";;;;;;;;;-7;;;;;;;;;;;;"Li Y, Qiang X, Luo L, Yang X, Xiao G, Liu Q, Ai J, Tan Z, Deng Y.: Aurone Mannich base derivatives as promising multifunctional agents with acetylcholinesterase inhibition, anti-β-amyloid aggragation and neuroprotective properties for the treatment of Alzheimer's disease. Eur J Med Chem, Volume 126, 2017";ChEMBL
Tacrine;MM00305;Nc1c2c(nc3ccccc13)CCCC2;YLJREFDVOIBQDA-UHFFFAOYSA-N;198.27;2.7;1935;DB00382;THA;CHEMBL95;BBB;EPAM;25;0;"ph = 7.4, <a href=https://www.ebi.ac.uk/chembl/assay_report_card/CHEMBL3826274/  target=_blank>CHEMBL3826274</a>";;;;;;;;;-5.28;;;;;;;;;;;;"Hroch L, Benek O, Guest P, Aitken L, Soukup O, Janockova J, Musil K, Dohnal V, Dolezal R, Kuca K, Smith TK, Gunn-Moore F, Musilek K.: Design, synthesis and in vitro evaluation of benzothiazole-based ureas as potential ABAD/17β-HSD10 modulators for Alzheimer's disease treatment. Bioorg Med Chem Lett, Volume 26 (15), 2016";ChEMBL
Tacrine;MM00305;Nc1c2c(nc3ccccc13)CCCC2;YLJREFDVOIBQDA-UHFFFAOYSA-N;198.27;2.7;1935;DB00382;THA;CHEMBL95;BBB;EPAM;25;0;"<a href=https://www.ebi.ac.uk/chembl/assay_report_card/CHEMBL3878269/  target=_blank>CHEMBL3878269</a>";;;;;;;;;-5.28;;;;;;;;;;;;"Panek D, Więckowska A, Wichur T, Bajda M, Godyń J, Jończyk J, Mika K, Janockova J, Soukup O, Knez D, Korabecny J, Gobec S, Malawska B.: Design, synthesis and biological evaluation of new phthalimide and saccharin derivatives with alicyclic amines targeting cholinesterases, beta-secretase and amyloid beta aggregation. Eur J Med Chem, Volume 125, 2017";ChEMBL
Tacrine;MM00305;Nc1c2c(nc3ccccc13)CCCC2;YLJREFDVOIBQDA-UHFFFAOYSA-N;198.27;2.7;1935;DB00382;THA;CHEMBL95;BBB;EPAM;25;0;"<a href=https://www.ebi.ac.uk/chembl/assay_report_card/CHEMBL4132647/  target=_blank>CHEMBL4132647</a>";;;;;;;;;-5.28;;;;;;;;;;;;"De Simone A, Bartolini M, Baschieri A, Apperley KYP, Chen HH, Guardigni M, Montanari S, Kobrlova T, Soukup O, Valgimigli L, Andrisano V, Keillor JW, Basso M, Milelli A.: Hydroxy-substituted trans-cinnamoyl derivatives as multifunctional tools in the context of Alzheimer's disease. Eur J Med Chem, Volume 139, 2017";ChEMBL
Tacrine;MM00305;Nc1c2c(nc3ccccc13)CCCC2;YLJREFDVOIBQDA-UHFFFAOYSA-N;198.27;2.7;1935;DB00382;THA;CHEMBL95;BBB;EPAM;25;0;"<a href=https://www.ebi.ac.uk/chembl/assay_report_card/CHEMBL4260726/  target=_blank>CHEMBL4260726</a>";;;;;;;;;-5.28;;;;;;;;;;;;"Zorbaz T, Malinak D, Maraković N, Maček Hrvat N, Zandona A, Novotny M, Skarka A, Andrys R, Benkova M, Soukup O, Katalinić M, Kuca K, Kovarik Z, Musilek K.: Pyridinium Oximes with Ortho-Positioned Chlorine Moiety Exhibit Improved Physicochemical Properties and Efficient Reactivation of Human Acetylcholinesterase Inhibited by Several Nerve Agents. J Med Chem, Volume 61 (23), 2018";ChEMBL
MM474576;MM474576;O=C(CCCCCCC(=O)Nc1ccccc1)NO;;264.33;2.47;;;;CHEMBL98;BBB;EPAM;25;0;"<a href=https://www.ebi.ac.uk/chembl/assay_report_card/CHEMBL4198925/  target=_blank>CHEMBL4198925</a>";;;;;;;;;-6.63;;;;;;;;;;;;"Rabal O, Sánchez-Arias JA, Cuadrado-Tejedor M, de Miguel I, Pérez-González M, García-Barroso C, Ugarte A, Estella-Hermoso de Mendoza A, Sáez E, Espelosin M, Ursua S, Haizhong T, Wei W, Musheng X, Garcia-Osta A, Oyarzabal J.: Design, synthesis, biological evaluation and in vivo testing of dual phosphodiesterase 5 (PDE5) and histone deacetylase 6 (HDAC6)-selective inhibitors for the treatment of Alzheimer's disease. Eur J Med Chem, Volume 150, 2018";ChEMBL
MM474576;MM474576;O=C(CCCCCCC(=O)Nc1ccccc1)NO;;264.33;2.47;;;;CHEMBL98;BBB;EPAM;25;0;"<a href=https://www.ebi.ac.uk/chembl/assay_report_card/CHEMBL3861001/  target=_blank>CHEMBL3861001</a>";;;;;;;;;-6.64;;;;;;;;;;;;"Rabal O, Sánchez-Arias JA, Cuadrado-Tejedor M, de Miguel I, Pérez-González M, García-Barroso C, Ugarte A, Estella-Hermoso de Mendoza A, Sáez E, Espelosin M, Ursua S, Haizhong T, Wei W, Musheng X, Garcia-Osta A, Oyarzabal J.: Design, Synthesis, and Biological Evaluation of First-in-Class Dual Acting Histone Deacetylases (HDACs) and Phosphodiesterase 5 (PDE5) Inhibitors for the Treatment of Alzheimer's Disease. J Med Chem, Volume 59 (19), 2016";ChEMBL
MM471052;MM471052;O=c1cc(-c2ccccc2)oc2cc(O)c(O)c(O)c12;;270.24;2.58;;;;CHEMBL8260;BBB;EPAM;25;0;"<a href=https://www.ebi.ac.uk/chembl/assay_report_card/CHEMBL974562/  target=_blank>CHEMBL974562</a>, mean logPerm value";;;;;;;;;-5.28;;;;;;;;;;;;"Tarragó T, Kichik N, Claasen B, Prades R, Teixidó M, Giralt E.: Baicalin, a prodrug able to reach the CNS, is a prolyl oligopeptidase inhibitor. Bioorg Med Chem, Volume 16 (15), 2008";ChEMBL
Warfarin;MM00095;CC(=O)CC(c1ccccc1)c1c(O)c2ccccc2oc1=O;PJVWKTKQMONHTI-UHFFFAOYSA-N;308.33;3.61;54678486;DB00682;;CHEMBL1464;LEC;EPAM;25;0;"<a href=https://www.ebi.ac.uk/chembl/assay_report_card/CHEMBL1044750/  target=_blank>CHEMBL1044750</a>";;;;;;;;;-6;;;;;;;;;;;;"Jeong HC, Park NJ, Chae CH, Musilek K, Kassa J, Kuca K, Jung YS.: Fluorinated pyridinium oximes as potential reactivators for acetylcholinesterases inhibited by paraoxon organophosphorus agent. Bioorg Med Chem, Volume 17 (17), 2009";ChEMBL
9-hyroxyethoxymethylguanine;MM00074;Nc1nc(=O)c2ncn(COCCO)c2[nH]1;MKUXAQIIEYXACX-UHFFFAOYSA-N;225.21;-1.33;2022;DB00787;AC2;CHEMBL184;LEC;EPAM;25;0;"<a href=https://www.ebi.ac.uk/chembl/assay_report_card/CHEMBL901113/  target=_blank>CHEMBL901113</a>";;;;;;;;;-8;;;;;;;;;;;;"Hess S, Ovadia O, Shalev DE, Senderovich H, Qadri B, Yehezkel T, Salitra Y, Sheynis T, Jelinek R, Gilon C, Hoffman A.: Effect of structural and conformation modifications, including backbone cyclization, of hydrophilic hexapeptides on their intestinal permeability and enzymatic stability. J Med Chem, Volume 50 (24), 2007";ChEMBL
Propranolol;MM00085;CC(C)NCC(O)COc1cccc2ccccc12;AQHHHDLHHXJYJD-UHFFFAOYSA-N;259.35;2.58;4946;DB00571;;CHEMBL27;LEC;EPAM;25;0;"<a href=https://www.ebi.ac.uk/chembl/assay_report_card/CHEMBL1044750/  target=_blank>CHEMBL1044750</a>";;;;;;;;;-5.1;;;;;;;;;;;;"Jeong HC, Park NJ, Chae CH, Musilek K, Kassa J, Kuca K, Jung YS.: Fluorinated pyridinium oximes as potential reactivators for acetylcholinesterases inhibited by paraoxon organophosphorus agent. Bioorg Med Chem, Volume 17 (17), 2009";ChEMBL
Propranolol;MM00085;CC(C)NCC(O)COc1cccc2ccccc12;AQHHHDLHHXJYJD-UHFFFAOYSA-N;259.35;2.58;4946;DB00571;;CHEMBL27;LEC;EPAM;25;0;"<a href=https://www.ebi.ac.uk/chembl/assay_report_card/CHEMBL3580062/  target=_blank>CHEMBL3580062</a>";;;;;;;;;-4.85;;;;;;;;;;;;"Bockus AT, Lexa KW, Pye CR, Kalgutkar AS, Gardner JW, Hund KC, Hewitt WM, Schwochert JA, Glassey E, Price DA, Mathiowetz AM, Liras S, Jacobson MP, Lokey RS.: Probing the Physicochemical Boundaries of Cell Permeability and Oral Bioavailability in Lipophilic Macrocycles Inspired by Natural Products. J Med Chem, Volume 58 (11), 2015";ChEMBL
Antipyrine;MM00333;Cc1cc(=O)n(-c2ccccc2)n1C;VEQOALNAAJBPNY-UHFFFAOYSA-N;188.23;1.48;2206;DB01435;;CHEMBL277474;LEC;EPAM;25;0;"<a href=https://www.ebi.ac.uk/chembl/assay_report_card/CHEMBL901113/  target=_blank>CHEMBL901113</a>";;;;;;;;;-5.93;;;;;;;;;;;;"Hess S, Ovadia O, Shalev DE, Senderovich H, Qadri B, Yehezkel T, Salitra Y, Sheynis T, Jelinek R, Gilon C, Hoffman A.: Effect of structural and conformation modifications, including backbone cyclization, of hydrophilic hexapeptides on their intestinal permeability and enzymatic stability. J Med Chem, Volume 50 (24), 2007";ChEMBL
MM472730;MM472730;CC(C)CC1NC(=O)C(Cc2ccc(O)cc2)N(C)C(=O)C2CCCN2C(=O)C(CC(C)C)NC(=O)C(CC(C)C)N(C)C(=O)C(CC(C)C)N(C)C1=O;;755.01;3.57;53356537;;;CHEMBL3221410;LEC;EPAM;25;0;"<a href=https://www.ebi.ac.uk/chembl/assay_report_card/CHEMBL3580063/  target=_blank>CHEMBL3580063</a>";;;;;;;;;-5.52;;;;;;;;;;;;"Bockus AT, Lexa KW, Pye CR, Kalgutkar AS, Gardner JW, Hund KC, Hewitt WM, Schwochert JA, Glassey E, Price DA, Mathiowetz AM, Liras S, Jacobson MP, Lokey RS.: Probing the Physicochemical Boundaries of Cell Permeability and Oral Bioavailability in Lipophilic Macrocycles Inspired by Natural Products. J Med Chem, Volume 58 (11), 2015";ChEMBL
MM474157;MM474157;CC(C)CC1NC(=O)C(CC(C)C)N(C)C(=O)C(CC(C)C)N(C)C(=O)CC(O)C(CC(C)C)NC(=O)C2CCCN2C(=O)C(CC(C)C)N(C)C(=O)CC1O;GQRZGXQUKPLNJS-AVXDTYAOSA-N;793.1;3.17;122177356;;;CHEMBL3576959;LEC;EPAM;25;0;"<a href=https://www.ebi.ac.uk/chembl/assay_report_card/CHEMBL3580062/  target=_blank>CHEMBL3580062</a>";;;;;;;;;-6;;;;;;;;;;;;"Bockus AT, Lexa KW, Pye CR, Kalgutkar AS, Gardner JW, Hund KC, Hewitt WM, Schwochert JA, Glassey E, Price DA, Mathiowetz AM, Liras S, Jacobson MP, Lokey RS.: Probing the Physicochemical Boundaries of Cell Permeability and Oral Bioavailability in Lipophilic Macrocycles Inspired by Natural Products. J Med Chem, Volume 58 (11), 2015";ChEMBL
MM474158;MM474158;CC(C)C[C@@H]1NC(=O)[C@H](CC(C)C)N(C)C(=O)[C@H](CC(C)C)N(C)C(=O)C[C@H](O)[C@H](CC(C)C)NC(=O)[C@@H]2CCCN2C(=O)[C@H](CC(C)C)N(C)C(=O)C[C@@H]1O;GQRZGXQUKPLNJS-VTGDPKQBSA-N;793.1;3.17;;;;;LEC;EPAM;25;0;"<a href=https://www.ebi.ac.uk/chembl/assay_report_card/CHEMBL3580062/  target=_blank>CHEMBL3580062</a>";;;;;;;;;-5.1;;;;;;;;;;;;"Bockus AT, Lexa KW, Pye CR, Kalgutkar AS, Gardner JW, Hund KC, Hewitt WM, Schwochert JA, Glassey E, Price DA, Mathiowetz AM, Liras S, Jacobson MP, Lokey RS.: Probing the Physicochemical Boundaries of Cell Permeability and Oral Bioavailability in Lipophilic Macrocycles Inspired by Natural Products. J Med Chem, Volume 58 (11), 2015";ChEMBL
MM474159;MM474159;CC(C)C[C@@H]1NC(=O)[C@H](CC(C)C)N(C)C(=O)[C@H](CC(C)C)N(C)C(=O)C[C@@H](O)[C@@H](CC(C)C)NC(=O)[C@H]2CCCN2C(=O)[C@H](CC(C)C)N(C)C(=O)C[C@@H]1O;GQRZGXQUKPLNJS-QZTRYRPESA-N;793.1;3.17;;;;;LEC;EPAM;25;0;"<a href=https://www.ebi.ac.uk/chembl/assay_report_card/CHEMBL3580062/  target=_blank>CHEMBL3580062</a>";;;;;;;;;-4.92;;;;;;;;;;;;"Bockus AT, Lexa KW, Pye CR, Kalgutkar AS, Gardner JW, Hund KC, Hewitt WM, Schwochert JA, Glassey E, Price DA, Mathiowetz AM, Liras S, Jacobson MP, Lokey RS.: Probing the Physicochemical Boundaries of Cell Permeability and Oral Bioavailability in Lipophilic Macrocycles Inspired by Natural Products. J Med Chem, Volume 58 (11), 2015";ChEMBL
MM474160;MM474160;CC(C)C[C@@H]1NC(=O)[C@H]2CCCN2C(=O)[C@H](CC(C)C)N(C)C(=O)C[C@H](O)[C@H](CC(C)C)NC(=O)[C@H](CC(C)C)N(C)C(=O)[C@@H](CC(C)C)N(C)C(=O)C[C@@H]1O;GQRZGXQUKPLNJS-GWYBMRKGSA-N;793.1;3.17;;;;;LEC;EPAM;25;0;"<a href=https://www.ebi.ac.uk/chembl/assay_report_card/CHEMBL3580062/  target=_blank>CHEMBL3580062</a>";;;;;;;;;-5.15;;;;;;;;;;;;"Bockus AT, Lexa KW, Pye CR, Kalgutkar AS, Gardner JW, Hund KC, Hewitt WM, Schwochert JA, Glassey E, Price DA, Mathiowetz AM, Liras S, Jacobson MP, Lokey RS.: Probing the Physicochemical Boundaries of Cell Permeability and Oral Bioavailability in Lipophilic Macrocycles Inspired by Natural Products. J Med Chem, Volume 58 (11), 2015";ChEMBL
MM474161;MM474161;CC(C)C[C@@H]1NC(=O)[C@@H](CC(C)C)N(C)C(=O)[C@H](CC(C)C)N(C)C(=O)C[C@H](O)[C@H](CC(C)C)NC(=O)[C@H]2CCCN2C(=O)[C@H](CC(C)C)N(C)C(=O)C[C@@H]1O;GQRZGXQUKPLNJS-GTOQBJDISA-N;793.1;3.17;;;;;LEC;EPAM;25;0;"<a href=https://www.ebi.ac.uk/chembl/assay_report_card/CHEMBL3580062/  target=_blank>CHEMBL3580062</a>";;;;;;;;;-5.7;;;;;;;;;;;;"Bockus AT, Lexa KW, Pye CR, Kalgutkar AS, Gardner JW, Hund KC, Hewitt WM, Schwochert JA, Glassey E, Price DA, Mathiowetz AM, Liras S, Jacobson MP, Lokey RS.: Probing the Physicochemical Boundaries of Cell Permeability and Oral Bioavailability in Lipophilic Macrocycles Inspired by Natural Products. J Med Chem, Volume 58 (11), 2015";ChEMBL
MM474162;MM474162;CC(C)C[C@@H]1NC(=O)[C@H]2CCCN2C(=O)[C@H](CC(C)C)N(C)C(=O)C[C@@H](O)[C@@H](CC(C)C)NC(=O)[C@H](CC(C)C)N(C)C(=O)[C@H](CC(C)C)N(C)C(=O)C[C@@H]1O;GQRZGXQUKPLNJS-MUISJDQHSA-N;793.1;3.17;;;;;LEC;EPAM;25;0;"<a href=https://www.ebi.ac.uk/chembl/assay_report_card/CHEMBL3580062/  target=_blank>CHEMBL3580062</a>";;;;;;;;;-4.7;;;;;;;;;;;;"Bockus AT, Lexa KW, Pye CR, Kalgutkar AS, Gardner JW, Hund KC, Hewitt WM, Schwochert JA, Glassey E, Price DA, Mathiowetz AM, Liras S, Jacobson MP, Lokey RS.: Probing the Physicochemical Boundaries of Cell Permeability and Oral Bioavailability in Lipophilic Macrocycles Inspired by Natural Products. J Med Chem, Volume 58 (11), 2015";ChEMBL
MM474163;MM474163;CC(C)C[C@@H]1NC(=O)[C@H]2CCCN2C(=O)[C@@H](CC(C)C)N(C)C(=O)C[C@H](O)[C@H](CC(C)C)NC(=O)[C@H](CC(C)C)N(C)C(=O)[C@H](CC(C)C)N(C)C(=O)C[C@@H]1O;GQRZGXQUKPLNJS-FZGOKCJASA-N;793.1;3.17;;;;;LEC;EPAM;25;0;"<a href=https://www.ebi.ac.uk/chembl/assay_report_card/CHEMBL3580062/  target=_blank>CHEMBL3580062</a>";;;;;;;;;-5.22;;;;;;;;;;;;"Bockus AT, Lexa KW, Pye CR, Kalgutkar AS, Gardner JW, Hund KC, Hewitt WM, Schwochert JA, Glassey E, Price DA, Mathiowetz AM, Liras S, Jacobson MP, Lokey RS.: Probing the Physicochemical Boundaries of Cell Permeability and Oral Bioavailability in Lipophilic Macrocycles Inspired by Natural Products. J Med Chem, Volume 58 (11), 2015";ChEMBL
MM474164;MM474164;CC(C)C[C@H]1NC(=O)[C@H]2CCCN2C(=O)[C@H](CC(C)C)N(C)C(=O)C[C@@H](O)[C@@H](CC(C)C)NC(=O)[C@H](CC(C)C)N(C)C(=O)[C@H](CC(C)C)N(C)C(=O)C[C@H]1O;GQRZGXQUKPLNJS-NIVRRFDCSA-N;793.1;3.17;;;;;LEC;EPAM;25;0;"<a href=https://www.ebi.ac.uk/chembl/assay_report_card/CHEMBL3580062/  target=_blank>CHEMBL3580062</a>";;;;;;;;;-5.4;;;;;;;;;;;;"Bockus AT, Lexa KW, Pye CR, Kalgutkar AS, Gardner JW, Hund KC, Hewitt WM, Schwochert JA, Glassey E, Price DA, Mathiowetz AM, Liras S, Jacobson MP, Lokey RS.: Probing the Physicochemical Boundaries of Cell Permeability and Oral Bioavailability in Lipophilic Macrocycles Inspired by Natural Products. J Med Chem, Volume 58 (11), 2015";ChEMBL
MM474165;MM474165;CC(C)C[C@@H]1NC(=O)[C@@H](CC(C)C)N(C)C(=O)[C@@H](CC(C)C)N(C)C(=O)C[C@@H](O)[C@@H](CC(C)C)NC(=O)[C@H]2CCCN2C(=O)[C@@H](CC(C)C)N(C)C(=O)C[C@@H]1O;GQRZGXQUKPLNJS-UCIOJSPUSA-N;793.1;3.17;;;;;LEC;EPAM;25;0;"<a href=https://www.ebi.ac.uk/chembl/assay_report_card/CHEMBL3580062/  target=_blank>CHEMBL3580062</a>";;;;;;;;;-5.52;;;;;;;;;;;;"Bockus AT, Lexa KW, Pye CR, Kalgutkar AS, Gardner JW, Hund KC, Hewitt WM, Schwochert JA, Glassey E, Price DA, Mathiowetz AM, Liras S, Jacobson MP, Lokey RS.: Probing the Physicochemical Boundaries of Cell Permeability and Oral Bioavailability in Lipophilic Macrocycles Inspired by Natural Products. J Med Chem, Volume 58 (11), 2015";ChEMBL
MM474166;MM474166;CC(C)C[C@@H]1NC(=O)[C@H]2CCCN2C(=O)[C@@H](CC(C)C)N(C)C(=O)C[C@@H](O)[C@@H](CC(C)C)NC(=O)[C@@H](CC(C)C)N(C)C(=O)[C@@H](CC(C)C)N(C)C(=O)C[C@@H]1O;GQRZGXQUKPLNJS-YWNYESAZSA-N;793.1;3.17;;;;;LEC;EPAM;25;0;"<a href=https://www.ebi.ac.uk/chembl/assay_report_card/CHEMBL3580062/  target=_blank>CHEMBL3580062</a>";;;;;;;;;-5.15;;;;;;;;;;;;"Bockus AT, Lexa KW, Pye CR, Kalgutkar AS, Gardner JW, Hund KC, Hewitt WM, Schwochert JA, Glassey E, Price DA, Mathiowetz AM, Liras S, Jacobson MP, Lokey RS.: Probing the Physicochemical Boundaries of Cell Permeability and Oral Bioavailability in Lipophilic Macrocycles Inspired by Natural Products. J Med Chem, Volume 58 (11), 2015";ChEMBL
MM474167;MM474167;"C/C1=C\[C@H](CC(C)C)NC(=O)[C@@H]2CCCN2C(=O)[C@H](CC(C)C)N(C)C(=O)C[C@@H](O)[C@@H](CC(C)C)NC(=O)[C@H](CC(C)C)N(C)C(=O)[C@H](CC(C)C)N(C)C1=O";MBKSSZAQPAQEDO-BFMADXGOSA-N;789.12;4.37;;;;;LEC;EPAM;25;0;"<a href=https://www.ebi.ac.uk/chembl/assay_report_card/CHEMBL3580062/  target=_blank>CHEMBL3580062</a>";;;;;;;;;-5.52;;;;;;;;;;;;"Bockus AT, Lexa KW, Pye CR, Kalgutkar AS, Gardner JW, Hund KC, Hewitt WM, Schwochert JA, Glassey E, Price DA, Mathiowetz AM, Liras S, Jacobson MP, Lokey RS.: Probing the Physicochemical Boundaries of Cell Permeability and Oral Bioavailability in Lipophilic Macrocycles Inspired by Natural Products. J Med Chem, Volume 58 (11), 2015";ChEMBL
MM474168;MM474168;CC1=CC(CC(C)C)NC(=O)C2CCCN2C(=O)C(CC(C)C)N(C)C(=O)CC(O)C(CC(C)C)NC(=O)C(CC(C)C)N(C)C(=O)C(CC(C)C)N(C)C1=O;MBKSSZAQPAQEDO-YODRVHRQSA-N;789.12;4.37;122177367;;;CHEMBL3576970;LEC;EPAM;25;0;"<a href=https://www.ebi.ac.uk/chembl/assay_report_card/CHEMBL3580062/  target=_blank>CHEMBL3580062</a>";;;;;;;;;-4.96;;;;;;;;;;;;"Bockus AT, Lexa KW, Pye CR, Kalgutkar AS, Gardner JW, Hund KC, Hewitt WM, Schwochert JA, Glassey E, Price DA, Mathiowetz AM, Liras S, Jacobson MP, Lokey RS.: Probing the Physicochemical Boundaries of Cell Permeability and Oral Bioavailability in Lipophilic Macrocycles Inspired by Natural Products. J Med Chem, Volume 58 (11), 2015";ChEMBL
MM474169;MM474169;"C/C1=C\[C@H](CC(C)C)NC(=O)[C@@H]2CCCN2C(=O)[C@@H](CC(C)C)N(C)C(=O)C[C@H](O)[C@H](CC(C)C)NC(=O)[C@@H](CC(C)C)N(C)C(=O)[C@@H](CC(C)C)N(C)C1=O";MBKSSZAQPAQEDO-HBHUAFJWSA-N;789.12;4.37;;;;;LEC;EPAM;25;0;"<a href=https://www.ebi.ac.uk/chembl/assay_report_card/CHEMBL3580062/  target=_blank>CHEMBL3580062</a>";;;;;;;;;-5.52;;;;;;;;;;;;"Bockus AT, Lexa KW, Pye CR, Kalgutkar AS, Gardner JW, Hund KC, Hewitt WM, Schwochert JA, Glassey E, Price DA, Mathiowetz AM, Liras S, Jacobson MP, Lokey RS.: Probing the Physicochemical Boundaries of Cell Permeability and Oral Bioavailability in Lipophilic Macrocycles Inspired by Natural Products. J Med Chem, Volume 58 (11), 2015";ChEMBL
MM474170;MM474170;"C/C1=C\[C@@H](CC(C)C)NC(=O)[C@@H]2CCCN2C(=O)[C@@H](CC(C)C)N(C)C(=O)C[C@H](O)[C@H](CC(C)C)NC(=O)[C@@H](CC(C)C)N(C)C(=O)[C@@H](CC(C)C)N(C)C1=O";MBKSSZAQPAQEDO-GUPKISLBSA-N;789.12;4.37;;;;;LEC;EPAM;25;0;"<a href=https://www.ebi.ac.uk/chembl/assay_report_card/CHEMBL3580062/  target=_blank>CHEMBL3580062</a>";;;;;;;;;-5;;;;;;;;;;;;"Bockus AT, Lexa KW, Pye CR, Kalgutkar AS, Gardner JW, Hund KC, Hewitt WM, Schwochert JA, Glassey E, Price DA, Mathiowetz AM, Liras S, Jacobson MP, Lokey RS.: Probing the Physicochemical Boundaries of Cell Permeability and Oral Bioavailability in Lipophilic Macrocycles Inspired by Natural Products. J Med Chem, Volume 58 (11), 2015";ChEMBL
Testosterone;MM00423;CC12CCC(=O)C=C1CCC1C2CCC2(C)C(O)CCC12;MUMGGOZAMZWBJJ-UHFFFAOYSA-N;288.43;3.88;6013;DB00624;TES;CHEMBL386630;LEC;EPAM;25;0;"<a href=https://www.ebi.ac.uk/chembl/assay_report_card/CHEMBL901113/  target=_blank>CHEMBL901113</a>";;;;;;;;;-5.06;;;;;;;;;;;;"Hess S, Ovadia O, Shalev DE, Senderovich H, Qadri B, Yehezkel T, Salitra Y, Sheynis T, Jelinek R, Gilon C, Hoffman A.: Effect of structural and conformation modifications, including backbone cyclization, of hydrophilic hexapeptides on their intestinal permeability and enzymatic stability. J Med Chem, Volume 50 (24), 2007";ChEMBL
Verapamil;MM00585;COc1ccc(CCN(C)CCCC(C#N)(c2ccc(OC)c(OC)c2)C(C)C)cc1OC;SGTNSNPWRIOYBX-UHFFFAOYSA-N;454.61;5.09;2520;DB00661;;CHEMBL6966;LEC;EPAM;25;0;"<a href=https://www.ebi.ac.uk/chembl/assay_report_card/CHEMBL2379911/  target=_blank>CHEMBL2379911</a>";;;;;;;;;-4.99;;;;;;;;;;;;"Ramanujulu PM, Yang T, Yap SQ, Wong FC, Casey PJ, Wang M, Go ML.: Functionalized indoleamines as potent, drug-like inhibitors of isoprenylcysteine carboxyl methyltransferase (Icmt). Eur J Med Chem, Volume 63, 2013";ChEMBL
MM474184;MM474184;O=C(O)c1ccc(O)c2ncccc12;JGRPKOGHYBAVMW-UHFFFAOYSA-N;189.17;1.64;;;;;GIT-0;EPAM;25;0;"<a href=https://www.ebi.ac.uk/chembl/assay_report_card/CHEMBL3637355/  target=_blank>CHEMBL3637355</a>";;;;;;;;;-5.7;;;;;;;;;;;;"Feng T, Li D, Wang H, Zhuang J, Liu F, Bao Q, Lei Y, Chen W, Zhang X, Xu X, Sun H, You Q, Guo X.: Novel 5-carboxy-8-HQ based histone demethylase JMJD2A inhibitors: introduction of an additional carboxyl group at the C-2 position of quinoline. Eur J Med Chem, Volume 105, 2015";ChEMBL
MM470973;MM470973;COc1cc(C=CC(=O)CC(=O)C=Cc2ccc(O)c(OC)c2)ccc1O;;368.39;3.37;969516;;;CHEMBL140;GIT-0;EPAM;25;0;"ph = 7.4, <a href=https://www.ebi.ac.uk/chembl/assay_report_card/CHEMBL3795358/  target=_blank>CHEMBL3795358</a>";;;;;;;;;-4.3;;;;;;;;;;;;"Jourdan JP, Since M, El Kihel L, Lecoutey C, Corvaisier S, Legay R, Sopkova-de Oliveira Santos J, Cresteil T, Malzert-Fréon A, Rochais C, Dallemagne P.: Novel benzylidenephenylpyrrolizinones with pleiotropic activities potentially useful in Alzheimer's disease treatment. Eur J Med Chem, Volume 114, 2016";ChEMBL
Digoxin;MM00357;CC1OC(OC2C(O)CC(OC3C(O)CC(OC4CCC5(C)C(CCC6C5CC(O)C5(C)C(C7=CC(=O)OC7)CCC65O)C4)OC3C)OC2C)CC(O)C1O;LTMHDMANZUZIPE-UHFFFAOYSA-N;780.95;2.22;2724385;DB00390;DGX;CHEMBL1751;GIT-0;EPAM;25;0;"ph = 7.4, <a href=https://www.ebi.ac.uk/chembl/assay_report_card/CHEMBL2342435/  target=_blank>CHEMBL2342435</a>";;;;;;;;;-4.52;;;;;;;;;;;;"Zhang X, Li X, Sun H, Wang X, Zhao L, Gao Y, Liu X, Zhang S, Wang Y, Yang Y, Zeng S, Guo Q, You Q.: Garcinia  xanthones as orally active antitumor agents. J Med Chem, Volume 56 (1), 2013";ChEMBL
MM471873;MM471873;CC(C)=CCC12OCC3C(CN(C)C)C(C=C4C(=O)c5c(O)cccc5OC431)C2=O;DGSALVZLMXELPV-LPIQBNQASA-N;409.48;2.76;71720706;;;CHEMBL2335649;GIT-0;EPAM;25;0;"ph = 7.4, <a href=https://www.ebi.ac.uk/chembl/assay_report_card/CHEMBL2342435/  target=_blank>CHEMBL2342435</a>";;;;;;;;;-3.72;;;;;;;;;;;;"Zhang X, Li X, Sun H, Wang X, Zhao L, Gao Y, Liu X, Zhang S, Wang Y, Yang Y, Zeng S, Guo Q, You Q.: Garcinia  xanthones as orally active antitumor agents. J Med Chem, Volume 56 (1), 2013";ChEMBL
MM471883;MM471883;CCCCN(CCCC)CC1C2C=C3C(=O)c4c(O)cccc4OC34C1COC4(CC=C(C)C)C2=O;AKMLVNWGCVAXDQ-HQCJEUBQSA-N;493.64;5.1;71717024;;;CHEMBL2335653;GIT-0;EPAM;25;0;"ph = 7.4, <a href=https://www.ebi.ac.uk/chembl/assay_report_card/CHEMBL2342435/  target=_blank>CHEMBL2342435</a>";;;;;;;;;-4.3;;;;;;;;;;;;"Zhang X, Li X, Sun H, Wang X, Zhao L, Gao Y, Liu X, Zhang S, Wang Y, Yang Y, Zeng S, Guo Q, You Q.: Garcinia  xanthones as orally active antitumor agents. J Med Chem, Volume 56 (1), 2013";ChEMBL
MM471872;MM471872;CC(C)=CCC12OC[C@@H]3[C@@H](CN(CCO)CCO)[C@@H](C=C4C(=O)c5c(O)cccc5O[C@]431)C2=O;SQCQXQYVRPHUJV-RRADVTQGSA-N;469.53;1.49;;;;;GIT-0;EPAM;25;0;"ph = 7.4, <a href=https://www.ebi.ac.uk/chembl/assay_report_card/CHEMBL2342435/  target=_blank>CHEMBL2342435</a>";;;;;;;;;-3.71;;;;;;;;;;;;"Zhang X, Li X, Sun H, Wang X, Zhao L, Gao Y, Liu X, Zhang S, Wang Y, Yang Y, Zeng S, Guo Q, You Q.: Garcinia  xanthones as orally active antitumor agents. J Med Chem, Volume 56 (1), 2013";ChEMBL
MM471877;MM471877;CC(C)=CCC12OCC3C(COC(C)C)C(C=C4C(=O)c5c(O)cccc5OC431)C2=O;YGVBIDJABJLVOL-DGTITLQCSA-N;424.49;3.63;71720708;;;CHEMBL2335656;GIT-0;EPAM;25;0;"ph = 7.4, <a href=https://www.ebi.ac.uk/chembl/assay_report_card/CHEMBL2342435/  target=_blank>CHEMBL2342435</a>";;;;;;;;;-3.91;;;;;;;;;;;;"Zhang X, Li X, Sun H, Wang X, Zhao L, Gao Y, Liu X, Zhang S, Wang Y, Yang Y, Zeng S, Guo Q, You Q.: Garcinia  xanthones as orally active antitumor agents. J Med Chem, Volume 56 (1), 2013";ChEMBL
MM471879;MM471879;CC(C)=CCC12OCC3C(COCc4ccccc4)C(C=C4C(=O)c5c(O)cccc5OC431)C2=O;XTBWCIYKONYIDG-AQOIPSNVSA-N;472.54;4.42;71720068;;;CHEMBL2335657;GIT-0;EPAM;25;0;"ph = 7.4, <a href=https://www.ebi.ac.uk/chembl/assay_report_card/CHEMBL2342435/  target=_blank>CHEMBL2342435</a>";;;;;;;;;-4.08;;;;;;;;;;;;"Zhang X, Li X, Sun H, Wang X, Zhao L, Gao Y, Liu X, Zhang S, Wang Y, Yang Y, Zeng S, Guo Q, You Q.: Garcinia  xanthones as orally active antitumor agents. J Med Chem, Volume 56 (1), 2013";ChEMBL
MM471876;MM471876;CC(=O)OCC1C2C=C3C(=O)c4c(O)cccc4OC34C1COC4(CC=C(C)C)C2=O;PJRSCTLUXRMVLG-LPIQBNQASA-N;424.45;2.77;71717025;;;CHEMBL2335659;GIT-0;EPAM;25;0;"ph = 7.4, <a href=https://www.ebi.ac.uk/chembl/assay_report_card/CHEMBL2342435/  target=_blank>CHEMBL2342435</a>";;;;;;;;;-3.84;;;;;;;;;;;;"Zhang X, Li X, Sun H, Wang X, Zhao L, Gao Y, Liu X, Zhang S, Wang Y, Yang Y, Zeng S, Guo Q, You Q.: Garcinia  xanthones as orally active antitumor agents. J Med Chem, Volume 56 (1), 2013";ChEMBL
MM471882;MM471882;CC(C)=CCC12OCC3C(COC(=O)Cc4ccccc4)C(C=C4C(=O)c5c(O)cccc5OC431)C2=O;VZIUOBFNNRUPAK-QBELJZEMSA-N;500.55;3.99;71717656;;;CHEMBL2335661;GIT-0;EPAM;25;0;"ph = 7.4, <a href=https://www.ebi.ac.uk/chembl/assay_report_card/CHEMBL2342435/  target=_blank>CHEMBL2342435</a>";;;;;;;;;-4.17;;;;;;;;;;;;"Zhang X, Li X, Sun H, Wang X, Zhao L, Gao Y, Liu X, Zhang S, Wang Y, Yang Y, Zeng S, Guo Q, You Q.: Garcinia  xanthones as orally active antitumor agents. J Med Chem, Volume 56 (1), 2013";ChEMBL
MM471881;MM471881;CC(C)=CCC12OCC3C(CN4CCN(c5ccccc5)CC4)C(C=C4C(=O)c5c(O)cccc5OC431)C2=O;FDQCMNZJDZSNSO-AKVKRZPISA-N;526.63;4.02;71718260;;;CHEMBL2335663;GIT-0;EPAM;25;0;"ph = 7.4, <a href=https://www.ebi.ac.uk/chembl/assay_report_card/CHEMBL2342435/  target=_blank>CHEMBL2342435</a>";;;;;;;;;-4.11;;;;;;;;;;;;"Zhang X, Li X, Sun H, Wang X, Zhao L, Gao Y, Liu X, Zhang S, Wang Y, Yang Y, Zeng S, Guo Q, You Q.: Garcinia  xanthones as orally active antitumor agents. J Med Chem, Volume 56 (1), 2013";ChEMBL
MM471884;MM471884;CC(C)=CCc1c(O)cc(O)c2c1OC13C(=CC4C(=O)C1(CC=C(C)C)OCC3C4CN(C)C)C2=O;BFWOATMLPBMAGZ-RGAUDQMMSA-N;493.6;3.98;71718870;;;CHEMBL2335676;GIT-0;EPAM;25;0;"ph = 7.4, <a href=https://www.ebi.ac.uk/chembl/assay_report_card/CHEMBL2342435/  target=_blank>CHEMBL2342435</a>";;;;;;;;;-4.38;;;;;;;;;;;;"Zhang X, Li X, Sun H, Wang X, Zhao L, Gao Y, Liu X, Zhang S, Wang Y, Yang Y, Zeng S, Guo Q, You Q.: Garcinia  xanthones as orally active antitumor agents. J Med Chem, Volume 56 (1), 2013";ChEMBL
MM471887;MM471887;CC(=O)OCC1C2C=C3C(=O)c4c(O)cc(O)c(CC=C(C)C)c4OC34C1COC4(CC=C(C)C)C2=O;XAUUFNQHVHEWRB-RGAUDQMMSA-N;508.57;3.98;71720718;;;CHEMBL2336095;GIT-0;EPAM;25;0;"ph = 7.4, <a href=https://www.ebi.ac.uk/chembl/assay_report_card/CHEMBL2342435/  target=_blank>CHEMBL2342435</a>";;;;;;;;;-4.47;;;;;;;;;;;;"Zhang X, Li X, Sun H, Wang X, Zhao L, Gao Y, Liu X, Zhang S, Wang Y, Yang Y, Zeng S, Guo Q, You Q.: Garcinia  xanthones as orally active antitumor agents. J Med Chem, Volume 56 (1), 2013";ChEMBL
MM471878;MM471878;CC(C)=CCC12OCC3C(CN4CCCC4)C(C=C4C(=O)c5c(O)cccc5OC431)C2=O;WHJWIMGVRAXDAG-RRADVTQGSA-N;435.52;3.3;71719478;;;CHEMBL2336103;GIT-0;EPAM;25;0;"ph = 7.4, <a href=https://www.ebi.ac.uk/chembl/assay_report_card/CHEMBL2342435/  target=_blank>CHEMBL2342435</a>";;;;;;;;;-3.97;;;;;;;;;;;;"Zhang X, Li X, Sun H, Wang X, Zhao L, Gao Y, Liu X, Zhang S, Wang Y, Yang Y, Zeng S, Guo Q, You Q.: Garcinia  xanthones as orally active antitumor agents. J Med Chem, Volume 56 (1), 2013";ChEMBL
MM471875;MM471875;CC(C)=CCC12OCC3C(CN4CCOCC4)C(C=C4C(=O)c5c(O)cccc5OC431)C2=O;OKZLQEMFGUVIIO-RRADVTQGSA-N;451.52;2.53;71719479;;;CHEMBL2336105;GIT-0;EPAM;25;0;"ph = 7.4, <a href=https://www.ebi.ac.uk/chembl/assay_report_card/CHEMBL2342435/  target=_blank>CHEMBL2342435</a>";;;;;;;;;-3.81;;;;;;;;;;;;"Zhang X, Li X, Sun H, Wang X, Zhao L, Gao Y, Liu X, Zhang S, Wang Y, Yang Y, Zeng S, Guo Q, You Q.: Garcinia  xanthones as orally active antitumor agents. J Med Chem, Volume 56 (1), 2013";ChEMBL
MM471885;MM471885;CC(C)=CCC12OCC3C(CN4CCNCC4)C(C=C4C(=O)c5c(O)cccc5OC431)C2=O;ZWUIYHCRZFZHSZ-RRADVTQGSA-N;450.54;2.11;71718274;;;CHEMBL2336106;GIT-0;EPAM;25;0;"ph = 7.4, <a href=https://www.ebi.ac.uk/chembl/assay_report_card/CHEMBL2342435/  target=_blank>CHEMBL2342435</a>";;;;;;;;;-4.43;;;;;;;;;;;;"Zhang X, Li X, Sun H, Wang X, Zhao L, Gao Y, Liu X, Zhang S, Wang Y, Yang Y, Zeng S, Guo Q, You Q.: Garcinia  xanthones as orally active antitumor agents. J Med Chem, Volume 56 (1), 2013";ChEMBL
MM471874;MM471874;CC(C)=CCC12OCC3C(CN4CCN(C)CC4)C(C=C4C(=O)c5c(O)cccc5OC431)C2=O;ZHNYTCAVYDPJHL-FAJRVWBFSA-N;464.56;2.45;71717670;;;CHEMBL2336107;GIT-0;EPAM;25;0;"ph = 7.4, <a href=https://www.ebi.ac.uk/chembl/assay_report_card/CHEMBL2342435/  target=_blank>CHEMBL2342435</a>";;;;;;;;;-3.81;;;;;;;;;;;;"Zhang X, Li X, Sun H, Wang X, Zhao L, Gao Y, Liu X, Zhang S, Wang Y, Yang Y, Zeng S, Guo Q, You Q.: Garcinia  xanthones as orally active antitumor agents. J Med Chem, Volume 56 (1), 2013";ChEMBL
MM471886;MM471886;CC(C)=CCC12OCC3C(CN4CCOCC4)C(C=C4C(=O)c5c(O)cc6c(c5OC431)C=CC(C)(C)O6)C2=O;CNZPDAQEGUHBIG-GPLVRGGGSA-N;533.62;3.72;71716437;;;CHEMBL2336111;GIT-0;EPAM;25;0;"ph = 7.4, <a href=https://www.ebi.ac.uk/chembl/assay_report_card/CHEMBL2342435/  target=_blank>CHEMBL2342435</a>";;;;;;;;;-4.44;;;;;;;;;;;;"Zhang X, Li X, Sun H, Wang X, Zhao L, Gao Y, Liu X, Zhang S, Wang Y, Yang Y, Zeng S, Guo Q, You Q.: Garcinia  xanthones as orally active antitumor agents. J Med Chem, Volume 56 (1), 2013";ChEMBL
MM471889;MM471889;CC(C)=CCc1c(O)cc2c(c1O)C(=O)C1=CC3C(=O)C4(CC=C(C)C)OCC(C3CN3CCOCC3)C14O2;XWMXKRFKQNHZRZ-BSIBGSSKSA-N;535.64;3.75;71720721;;;CHEMBL2336118;GIT-0;EPAM;25;0;"ph = 7.4, <a href=https://www.ebi.ac.uk/chembl/assay_report_card/CHEMBL2342435/  target=_blank>CHEMBL2342435</a>";;;;;;;;;-4.55;;;;;;;;;;;;"Zhang X, Li X, Sun H, Wang X, Zhao L, Gao Y, Liu X, Zhang S, Wang Y, Yang Y, Zeng S, Guo Q, You Q.: Garcinia  xanthones as orally active antitumor agents. J Med Chem, Volume 56 (1), 2013";ChEMBL
MM471880;MM471880;CC(C)=CCC12OC(C)(C)C3CC(C=C4C(=O)c5c(O)cccc5OC431)C2=O;XZPYBDPGHSLINX-OHTINKFRSA-N;380.44;3.76;71720741;;;CHEMBL2336600;GIT-0;EPAM;25;0;"ph = 7.4, <a href=https://www.ebi.ac.uk/chembl/assay_report_card/CHEMBL2342435/  target=_blank>CHEMBL2342435</a>";;;;;;;;;-4.11;;;;;;;;;;;;"Zhang X, Li X, Sun H, Wang X, Zhao L, Gao Y, Liu X, Zhang S, Wang Y, Yang Y, Zeng S, Guo Q, You Q.: Garcinia  xanthones as orally active antitumor agents. J Med Chem, Volume 56 (1), 2013";ChEMBL
MM471888;MM471888;CC(C)=CCC12OC(C)(C)C3CC(C=C4C(=O)c5ccccc5OC431)C2=O;ZWXWLIRGVCGFJK-PUVDAUEISA-N;364.44;4.05;71719494;;;CHEMBL2336601;GIT-0;EPAM;25;0;"ph = 7.4, <a href=https://www.ebi.ac.uk/chembl/assay_report_card/CHEMBL2342435/  target=_blank>CHEMBL2342435</a>";;;;;;;;;-4.53;;;;;;;;;;;;"Zhang X, Li X, Sun H, Wang X, Zhao L, Gao Y, Liu X, Zhang S, Wang Y, Yang Y, Zeng S, Guo Q, You Q.: Garcinia  xanthones as orally active antitumor agents. J Med Chem, Volume 56 (1), 2013";ChEMBL
MM474767;MM474767;CCCCCCCCn1cc(CN(CC)CC)c2cc(-c3cnc(N)nc3)ccc21;HKAUEDVXIIXVGY-UHFFFAOYSA-N;407.61;5.88;;;;;GIT-0;EPAM;25;0;"<a href=https://www.ebi.ac.uk/chembl/assay_report_card/CHEMBL2379914/  target=_blank>CHEMBL2379914</a>";;;;;;;;;-4.85;;;;;;;;;;;;"Ramanujulu PM, Yang T, Yap SQ, Wong FC, Casey PJ, Wang M, Go ML.: Functionalized indoleamines as potent, drug-like inhibitors of isoprenylcysteine carboxyl methyltransferase (Icmt). Eur J Med Chem, Volume 63, 2013";ChEMBL
Propranolol;MM00085;CC(C)NCC(O)COc1cccc2ccccc12;AQHHHDLHHXJYJD-UHFFFAOYSA-N;259.35;2.58;4946;DB00571;;CHEMBL27;GIT-0;EPAM;25;0;"<a href=https://www.ebi.ac.uk/chembl/assay_report_card/CHEMBL3637355/  target=_blank>CHEMBL3637355</a>";;;;;;;;;-3.95;;;;;;;;;;;;"Feng T, Li D, Wang H, Zhuang J, Liu F, Bao Q, Lei Y, Chen W, Zhang X, Xu X, Sun H, You Q, Guo X.: Novel 5-carboxy-8-HQ based histone demethylase JMJD2A inhibitors: introduction of an additional carboxyl group at the C-2 position of quinoline. Eur J Med Chem, Volume 105, 2015";ChEMBL
Propranolol;MM00085;CC(C)NCC(O)COc1cccc2ccccc12;AQHHHDLHHXJYJD-UHFFFAOYSA-N;259.35;2.58;4946;DB00571;;CHEMBL27;GIT-0;EPAM;25;0;"ph = 7.4, <a href=https://www.ebi.ac.uk/chembl/assay_report_card/CHEMBL4130770/  target=_blank>CHEMBL4130770</a>";;;;;;;;;-3.95;;;;;;;;;;;;"Xu XL, Yang YR, Mo XF, Wei JL, Zhang XJ, You QD.: Design, synthesis, and evaluation of benzofuran derivatives as novel anti-pancreatic carcinoma agents via interfering the hypoxia environment by targeting HIF-1α pathway. Eur J Med Chem, Volume 137, 2017";ChEMBL
Propranolol;MM00085;CC(C)NCC(O)COc1cccc2ccccc12;AQHHHDLHHXJYJD-UHFFFAOYSA-N;259.35;2.58;4946;DB00571;;CHEMBL27;GIT-0;EPAM;25;0;"ph = 7.4, <a href=https://www.ebi.ac.uk/chembl/assay_report_card/CHEMBL2342435/  target=_blank>CHEMBL2342435</a>";;;;;;;;;-3.27;;;;;;;;;;;;"Zhang X, Li X, Sun H, Wang X, Zhao L, Gao Y, Liu X, Zhang S, Wang Y, Yang Y, Zeng S, Guo Q, You Q.: Garcinia  xanthones as orally active antitumor agents. J Med Chem, Volume 56 (1), 2013";ChEMBL
Antipyrine;MM00333;Cc1cc(=O)n(-c2ccccc2)n1C;VEQOALNAAJBPNY-UHFFFAOYSA-N;188.23;1.48;2206;DB01435;;CHEMBL277474;GIT-0;EPAM;25;0;"ph = 7.4, <a href=https://www.ebi.ac.uk/chembl/assay_report_card/CHEMBL3795358/  target=_blank>CHEMBL3795358</a>";;;;;;;;;-5.8;;;;;;;;;;;;"Jourdan JP, Since M, El Kihel L, Lecoutey C, Corvaisier S, Legay R, Sopkova-de Oliveira Santos J, Cresteil T, Malzert-Fréon A, Rochais C, Dallemagne P.: Novel benzylidenephenylpyrrolizinones with pleiotropic activities potentially useful in Alzheimer's disease treatment. Eur J Med Chem, Volume 114, 2016";ChEMBL
MM474075;MM474075;CN1c2c(C(=O)Nc3ccc(NS(C)(=O)=O)cc3)nn(-c3cccc(Cl)c3)c2-c2ccccc2S1(=O)=O;;558.04;3.96;86578575;;;CHEMBL3233234;GIT-0;EPAM;25;0;"<a href=https://www.ebi.ac.uk/chembl/assay_report_card/CHEMBL3241273/  target=_blank>CHEMBL3241273</a>";;;;;;;;;-5.64;;;;;;;;;;;;"Manfroni G, Manvar D, Barreca ML, Kaushik-Basu N, Leyssen P, Paeshuyse J, Cannalire R, Iraci N, Basu A, Chudaev M, Zamperini C, Dreassi E, Sabatini S, Tabarrini O, Neyts J, Cecchetti V.: New pyrazolobenzothiazine derivatives as hepatitis C virus NS5B polymerase palm site I inhibitors. J Med Chem, Volume 57 (8), 2014";ChEMBL
MM474075;MM474075;CN1c2c(C(=O)Nc3ccc(NS(C)(=O)=O)cc3)nn(-c3cccc(Cl)c3)c2-c2ccccc2S1(=O)=O;;558.04;3.96;86578575;;;CHEMBL3233234;GIT-0;EPAM;25;0;"<a href=https://www.ebi.ac.uk/chembl/assay_report_card/CHEMBL3241274/  target=_blank>CHEMBL3241274</a>";;;;;;;;;-5.38;;;;;;;;;;;;"Manfroni G, Manvar D, Barreca ML, Kaushik-Basu N, Leyssen P, Paeshuyse J, Cannalire R, Iraci N, Basu A, Chudaev M, Zamperini C, Dreassi E, Sabatini S, Tabarrini O, Neyts J, Cecchetti V.: New pyrazolobenzothiazine derivatives as hepatitis C virus NS5B polymerase palm site I inhibitors. J Med Chem, Volume 57 (8), 2014";ChEMBL
MM471047;MM471047;Cn1ncc2cc(C(=O)Nc3ccc(Cl)c(Cl)c3)ccc21;OIDIFCINLNNUKU-UHFFFAOYSA-N;320.18;4.13;;;;;GIT-0;EPAM;25;0;"ph = 2, <a href=https://www.ebi.ac.uk/chembl/assay_report_card/CHEMBL3996835/  target=_blank>CHEMBL3996835</a>";;;;;;;;;-4.74;;;;;;;;;;;;"Tzvetkov NT, Stammler HG, Neumann B, Hristova S, Antonov L, Gastreich M.: Crystal structures, binding interactions, and ADME evaluation of brain penetrant N-substituted indazole-5-carboxamides as subnanomolar, selective monoamine oxidase B and dual MAO-A/B inhibitors. Eur J Med Chem, Volume 127, 2017";ChEMBL
MM471047;MM471047;Cn1ncc2cc(C(=O)Nc3ccc(Cl)c(Cl)c3)ccc21;OIDIFCINLNNUKU-UHFFFAOYSA-N;320.18;4.13;;;;;GIT-0;EPAM;25;0;"ph = 5.5, <a href=https://www.ebi.ac.uk/chembl/assay_report_card/CHEMBL3996836/  target=_blank>CHEMBL3996836</a>";;;;;;;;;-4.77;;;;;;;;;;;;"Tzvetkov NT, Stammler HG, Neumann B, Hristova S, Antonov L, Gastreich M.: Crystal structures, binding interactions, and ADME evaluation of brain penetrant N-substituted indazole-5-carboxamides as subnanomolar, selective monoamine oxidase B and dual MAO-A/B inhibitors. Eur J Med Chem, Volume 127, 2017";ChEMBL
MM471047;MM471047;Cn1ncc2cc(C(=O)Nc3ccc(Cl)c(Cl)c3)ccc21;OIDIFCINLNNUKU-UHFFFAOYSA-N;320.18;4.13;;;;;GIT-0;EPAM;25;0;"ph = 7.4, <a href=https://www.ebi.ac.uk/chembl/assay_report_card/CHEMBL3996837/  target=_blank>CHEMBL3996837</a>";;;;;;;;;-4.73;;;;;;;;;;;;"Tzvetkov NT, Stammler HG, Neumann B, Hristova S, Antonov L, Gastreich M.: Crystal structures, binding interactions, and ADME evaluation of brain penetrant N-substituted indazole-5-carboxamides as subnanomolar, selective monoamine oxidase B and dual MAO-A/B inhibitors. Eur J Med Chem, Volume 127, 2017";ChEMBL
MM471048;MM471048;Cn1cc2cc(C(=O)Nc3ccc(Cl)c(Cl)c3)ccc2n1;IJGQJSMRACUEMU-UHFFFAOYSA-N;320.18;4.13;;;;;GIT-0;EPAM;25;0;"ph = 2, <a href=https://www.ebi.ac.uk/chembl/assay_report_card/CHEMBL3996835/  target=_blank>CHEMBL3996835</a>";;;;;;;;;-4.84;;;;;;;;;;;;"Tzvetkov NT, Stammler HG, Neumann B, Hristova S, Antonov L, Gastreich M.: Crystal structures, binding interactions, and ADME evaluation of brain penetrant N-substituted indazole-5-carboxamides as subnanomolar, selective monoamine oxidase B and dual MAO-A/B inhibitors. Eur J Med Chem, Volume 127, 2017";ChEMBL
MM471048;MM471048;Cn1cc2cc(C(=O)Nc3ccc(Cl)c(Cl)c3)ccc2n1;IJGQJSMRACUEMU-UHFFFAOYSA-N;320.18;4.13;;;;;GIT-0;EPAM;25;0;"ph = 5.5, <a href=https://www.ebi.ac.uk/chembl/assay_report_card/CHEMBL3996836/  target=_blank>CHEMBL3996836</a>";;;;;;;;;-4.79;;;;;;;;;;;;"Tzvetkov NT, Stammler HG, Neumann B, Hristova S, Antonov L, Gastreich M.: Crystal structures, binding interactions, and ADME evaluation of brain penetrant N-substituted indazole-5-carboxamides as subnanomolar, selective monoamine oxidase B and dual MAO-A/B inhibitors. Eur J Med Chem, Volume 127, 2017";ChEMBL
MM471048;MM471048;Cn1cc2cc(C(=O)Nc3ccc(Cl)c(Cl)c3)ccc2n1;IJGQJSMRACUEMU-UHFFFAOYSA-N;320.18;4.13;;;;;GIT-0;EPAM;25;0;"ph = 7.4, <a href=https://www.ebi.ac.uk/chembl/assay_report_card/CHEMBL3996837/  target=_blank>CHEMBL3996837</a>";;;;;;;;;-4.75;;;;;;;;;;;;"Tzvetkov NT, Stammler HG, Neumann B, Hristova S, Antonov L, Gastreich M.: Crystal structures, binding interactions, and ADME evaluation of brain penetrant N-substituted indazole-5-carboxamides as subnanomolar, selective monoamine oxidase B and dual MAO-A/B inhibitors. Eur J Med Chem, Volume 127, 2017";ChEMBL
MM474762;MM474762;"COc1ccc(C(=O)NC(=O)Nc2ccc3c(c2)NC(=O)/C3=C\c2ccc[nH]2)cc1";LBAGNMNWIAWTLK-WQRHYEAKSA-N;402.41;3.48;;;;;GIT-0;EPAM;25;0;"ph = 7.4, <a href=https://www.ebi.ac.uk/chembl/assay_report_card/CHEMBL3380445/  target=_blank>CHEMBL3380445</a>";;;;;;;;;-6.17;;;;;;;;;;;;"Jagtap AD, Chang PT, Liu JR, Wang HC, Kondekar NB, Shen LJ, Tseng HW, Chen GS, Chern JW.: Novel acylureidoindolin-2-one derivatives as dual Aurora B/FLT3 inhibitors for the treatment of acute myeloid leukemia. Eur J Med Chem, Volume 85, 2014";ChEMBL
MM474763;MM474763;"COc1ccc(C(=O)NC(=O)Nc2ccc3c(c2)NC(=O)/C3=C\c2[nH]c(C)c(C(=O)O)c2C)cc1";MUEJCYLSAWKRDN-WQRHYEAKSA-N;474.47;3.79;;;;;GIT-0;EPAM;25;0;"ph = 7.4, <a href=https://www.ebi.ac.uk/chembl/assay_report_card/CHEMBL3380445/  target=_blank>CHEMBL3380445</a>";;;;;;;;;-6.64;;;;;;;;;;;;"Jagtap AD, Chang PT, Liu JR, Wang HC, Kondekar NB, Shen LJ, Tseng HW, Chen GS, Chern JW.: Novel acylureidoindolin-2-one derivatives as dual Aurora B/FLT3 inhibitors for the treatment of acute myeloid leukemia. Eur J Med Chem, Volume 85, 2014";ChEMBL
MM474764;MM474764;COc1ccc(C(=O)NC(=O)Nc2cc3c(cc2F)/C(=C/c2[nH]c(C)c(C(=O)O)c2C)C(=O)N3)cc1;BGVHRAAMOSNTDT-SXGWCWSVSA-N;492.46;3.93;;;;;GIT-0;EPAM;25;0;"ph = 7.4, <a href=https://www.ebi.ac.uk/chembl/assay_report_card/CHEMBL3380445/  target=_blank>CHEMBL3380445</a>";;;;;;;;;-5.61;;;;;;;;;;;;"Jagtap AD, Chang PT, Liu JR, Wang HC, Kondekar NB, Shen LJ, Tseng HW, Chen GS, Chern JW.: Novel acylureidoindolin-2-one derivatives as dual Aurora B/FLT3 inhibitors for the treatment of acute myeloid leukemia. Eur J Med Chem, Volume 85, 2014";ChEMBL
MM474765;MM474765;"COc1ccc(C(=O)NC(=O)Nc2ccc3c(c2)NC(=O)/C3=C\c2[nH]c(C)c(C(=O)O)c2C)c(F)c1";RVVGEXZEXCMBCG-YVLHZVERSA-N;492.46;3.93;;;;;GIT-0;EPAM;25;0;"ph = 7.4, <a href=https://www.ebi.ac.uk/chembl/assay_report_card/CHEMBL3380445/  target=_blank>CHEMBL3380445</a>";;;;;;;;;-5.6;;;;;;;;;;;;"Jagtap AD, Chang PT, Liu JR, Wang HC, Kondekar NB, Shen LJ, Tseng HW, Chen GS, Chern JW.: Novel acylureidoindolin-2-one derivatives as dual Aurora B/FLT3 inhibitors for the treatment of acute myeloid leukemia. Eur J Med Chem, Volume 85, 2014";ChEMBL
MM474766;MM474766;"COc1ccc(C(=O)NC(=O)Nc2ccc3c(c2)NC(=O)/C3=C\c2[nH]c(C)c(C(=O)NCCN3CCCC3)c2C)c(F)c1";NKKNQMFHKZEGQU-KQWNVCNZSA-N;588.64;4.06;;;;;GIT-0;EPAM;25;0;"ph = 7.4, <a href=https://www.ebi.ac.uk/chembl/assay_report_card/CHEMBL3380445/  target=_blank>CHEMBL3380445</a>";;;;;;;;;-5.75;;;;;;;;;;;;"Jagtap AD, Chang PT, Liu JR, Wang HC, Kondekar NB, Shen LJ, Tseng HW, Chen GS, Chern JW.: Novel acylureidoindolin-2-one derivatives as dual Aurora B/FLT3 inhibitors for the treatment of acute myeloid leukemia. Eur J Med Chem, Volume 85, 2014";ChEMBL
MM474185;MM474185;O=C(Nc1ccccn1)c1ccc2c(C(=O)O)ccc(O)c2n1;KWECDLRNPWIXNI-UHFFFAOYSA-N;309.28;2.29;;;;;GIT-0;EPAM;25;0;"<a href=https://www.ebi.ac.uk/chembl/assay_report_card/CHEMBL3637355/  target=_blank>CHEMBL3637355</a>";;;;;;;;;-5.54;;;;;;;;;;;;"Feng T, Li D, Wang H, Zhuang J, Liu F, Bao Q, Lei Y, Chen W, Zhang X, Xu X, Sun H, You Q, Guo X.: Novel 5-carboxy-8-HQ based histone demethylase JMJD2A inhibitors: introduction of an additional carboxyl group at the C-2 position of quinoline. Eur J Med Chem, Volume 105, 2015";ChEMBL
MM474186;MM474186;CN(C)C(=O)c1ccc2c(C(=O)O)ccc(O)c2n1;RTCKZHLVNQLLSJ-UHFFFAOYSA-N;260.25;1.34;;;;;GIT-0;EPAM;25;0;"<a href=https://www.ebi.ac.uk/chembl/assay_report_card/CHEMBL3637355/  target=_blank>CHEMBL3637355</a>";;;;;;;;;-5.52;;;;;;;;;;;;"Feng T, Li D, Wang H, Zhuang J, Liu F, Bao Q, Lei Y, Chen W, Zhang X, Xu X, Sun H, You Q, Guo X.: Novel 5-carboxy-8-HQ based histone demethylase JMJD2A inhibitors: introduction of an additional carboxyl group at the C-2 position of quinoline. Eur J Med Chem, Volume 105, 2015";ChEMBL
MM474187;MM474187;Cc1ccccc1NC(=O)c1ccc2c(C(=O)O)ccc(O)c2n1;QXFOWWOUEVOISF-UHFFFAOYSA-N;322.32;3.2;;;;;GIT-0;EPAM;25;0;"<a href=https://www.ebi.ac.uk/chembl/assay_report_card/CHEMBL3637355/  target=_blank>CHEMBL3637355</a>";;;;;;;;;-5.41;;;;;;;;;;;;"Feng T, Li D, Wang H, Zhuang J, Liu F, Bao Q, Lei Y, Chen W, Zhang X, Xu X, Sun H, You Q, Guo X.: Novel 5-carboxy-8-HQ based histone demethylase JMJD2A inhibitors: introduction of an additional carboxyl group at the C-2 position of quinoline. Eur J Med Chem, Volume 105, 2015";ChEMBL
MM474188;MM474188;O=C(Nc1nc2ccccc2[nH]1)c1ccc2c(C(=O)O)ccc(O)c2n1;RKWHBQTUWVMODN-UHFFFAOYSA-N;348.32;2.77;;;;;GIT-0;EPAM;25;0;"<a href=https://www.ebi.ac.uk/chembl/assay_report_card/CHEMBL3637355/  target=_blank>CHEMBL3637355</a>";;;;;;;;;-5.17;;;;;;;;;;;;"Feng T, Li D, Wang H, Zhuang J, Liu F, Bao Q, Lei Y, Chen W, Zhang X, Xu X, Sun H, You Q, Guo X.: Novel 5-carboxy-8-HQ based histone demethylase JMJD2A inhibitors: introduction of an additional carboxyl group at the C-2 position of quinoline. Eur J Med Chem, Volume 105, 2015";ChEMBL
MM474189;MM474189;O=C(NCCc1c[nH]c2ccccc12)c1ccc2c(C(=O)O)ccc(O)c2n1;DDWKDMPRLULLKO-UHFFFAOYSA-N;375.38;3.09;;;;;GIT-0;EPAM;25;0;"<a href=https://www.ebi.ac.uk/chembl/assay_report_card/CHEMBL3637355/  target=_blank>CHEMBL3637355</a>";;;;;;;;;-5.44;;;;;;;;;;;;"Feng T, Li D, Wang H, Zhuang J, Liu F, Bao Q, Lei Y, Chen W, Zhang X, Xu X, Sun H, You Q, Guo X.: Novel 5-carboxy-8-HQ based histone demethylase JMJD2A inhibitors: introduction of an additional carboxyl group at the C-2 position of quinoline. Eur J Med Chem, Volume 105, 2015";ChEMBL
MM474190;MM474190;CCN(CC)C(=O)c1ccc2c(C(=O)O)ccc(O)c2n1;PCFYPROHAZLTDW-UHFFFAOYSA-N;288.3;2.12;;;;;GIT-0;EPAM;25;0;"<a href=https://www.ebi.ac.uk/chembl/assay_report_card/CHEMBL3637355/  target=_blank>CHEMBL3637355</a>";;;;;;;;;-5.64;;;;;;;;;;;;"Feng T, Li D, Wang H, Zhuang J, Liu F, Bao Q, Lei Y, Chen W, Zhang X, Xu X, Sun H, You Q, Guo X.: Novel 5-carboxy-8-HQ based histone demethylase JMJD2A inhibitors: introduction of an additional carboxyl group at the C-2 position of quinoline. Eur J Med Chem, Volume 105, 2015";ChEMBL
MM474191;MM474191;CN1CCN(C(=O)c2ccc3c(C(=O)O)ccc(O)c3n2)CC1;ZBSRPBAAJNLOAH-UHFFFAOYSA-N;315.33;1.03;;;;;GIT-0;EPAM;25;0;"<a href=https://www.ebi.ac.uk/chembl/assay_report_card/CHEMBL3637355/  target=_blank>CHEMBL3637355</a>";;;;;;;;;-5.48;;;;;;;;;;;;"Feng T, Li D, Wang H, Zhuang J, Liu F, Bao Q, Lei Y, Chen W, Zhang X, Xu X, Sun H, You Q, Guo X.: Novel 5-carboxy-8-HQ based histone demethylase JMJD2A inhibitors: introduction of an additional carboxyl group at the C-2 position of quinoline. Eur J Med Chem, Volume 105, 2015";ChEMBL
MM470981;MM470981;"COc1cc(C2/C(=C\c3ccc(O)c(O)c3)C(=O)c3cccn32)ccc1O";BNQCNHAVQQYUDU-NTEUORMPSA-N;363.37;3.48;;;;;GIT-0;EPAM;25;0;"ph = 7.4, <a href=https://www.ebi.ac.uk/chembl/assay_report_card/CHEMBL3795358/  target=_blank>CHEMBL3795358</a>";;;;;;;;;-4.9;;;;;;;;;;;;"Jourdan JP, Since M, El Kihel L, Lecoutey C, Corvaisier S, Legay R, Sopkova-de Oliveira Santos J, Cresteil T, Malzert-Fréon A, Rochais C, Dallemagne P.: Novel benzylidenephenylpyrrolizinones with pleiotropic activities potentially useful in Alzheimer's disease treatment. Eur J Med Chem, Volume 114, 2016";ChEMBL
MM470980;MM470980;"COc1ccc(C2/C(=C\c3ccc(O)c(OC)c3)C(=O)c3cccn32)cc1O";NQNCYUCZJVGCAV-XNTDXEJSSA-N;377.4;3.79;;;;;GIT-0;EPAM;25;0;"ph = 7.4, <a href=https://www.ebi.ac.uk/chembl/assay_report_card/CHEMBL3795358/  target=_blank>CHEMBL3795358</a>";;;;;;;;;-3.9;;;;;;;;;;;;"Jourdan JP, Since M, El Kihel L, Lecoutey C, Corvaisier S, Legay R, Sopkova-de Oliveira Santos J, Cresteil T, Malzert-Fréon A, Rochais C, Dallemagne P.: Novel benzylidenephenylpyrrolizinones with pleiotropic activities potentially useful in Alzheimer's disease treatment. Eur J Med Chem, Volume 114, 2016";ChEMBL
MM470985;MM470985;"COc1cc(C2/C(=C\c3cc(OC)c(OC)c(OC)c3)C(=O)c3cccn32)ccc1O";NOOLFHUGTFEHAD-MHWRWJLKSA-N;421.45;4.1;;;;;GIT-0;EPAM;25;0;"ph = 7.4, <a href=https://www.ebi.ac.uk/chembl/assay_report_card/CHEMBL3795358/  target=_blank>CHEMBL3795358</a>";;;;;;;;;-3.9;;;;;;;;;;;;"Jourdan JP, Since M, El Kihel L, Lecoutey C, Corvaisier S, Legay R, Sopkova-de Oliveira Santos J, Cresteil T, Malzert-Fréon A, Rochais C, Dallemagne P.: Novel benzylidenephenylpyrrolizinones with pleiotropic activities potentially useful in Alzheimer's disease treatment. Eur J Med Chem, Volume 114, 2016";ChEMBL
MM470977;MM470977;COc1cc(/C=C2/C(=O)c3cccn3C2c2ccccc2)ccc1O;DWJJQMLNNOGQQT-FOWTUZBSSA-N;331.37;4.07;;;;;GIT-0;EPAM;25;0;"ph = 7.4, <a href=https://www.ebi.ac.uk/chembl/assay_report_card/CHEMBL3795358/  target=_blank>CHEMBL3795358</a>";;;;;;;;;-3.9;;;;;;;;;;;;"Jourdan JP, Since M, El Kihel L, Lecoutey C, Corvaisier S, Legay R, Sopkova-de Oliveira Santos J, Cresteil T, Malzert-Fréon A, Rochais C, Dallemagne P.: Novel benzylidenephenylpyrrolizinones with pleiotropic activities potentially useful in Alzheimer's disease treatment. Eur J Med Chem, Volume 114, 2016";ChEMBL
MM470974;MM470974;O=C1/C(=C/c2ccccc2)C(c2ccccc2)n2cccc21;DSBKTCLJBPZYKV-SAPNQHFASA-N;285.35;4.36;;;;;GIT-0;EPAM;25;0;"ph = 7.4, <a href=https://www.ebi.ac.uk/chembl/assay_report_card/CHEMBL3795358/  target=_blank>CHEMBL3795358</a>";;;;;;;;;-4;;;;;;;;;;;;"Jourdan JP, Since M, El Kihel L, Lecoutey C, Corvaisier S, Legay R, Sopkova-de Oliveira Santos J, Cresteil T, Malzert-Fréon A, Rochais C, Dallemagne P.: Novel benzylidenephenylpyrrolizinones with pleiotropic activities potentially useful in Alzheimer's disease treatment. Eur J Med Chem, Volume 114, 2016";ChEMBL
MM470979;MM470979;COc1ccc(/C=C2/C(=O)c3cccn3C2c2ccc(OC)c(O)c2)cc1O;COQUAHWYJYLREY-XNTDXEJSSA-N;377.4;3.79;;;;;GIT-0;EPAM;25;0;"ph = 7.4, <a href=https://www.ebi.ac.uk/chembl/assay_report_card/CHEMBL3795358/  target=_blank>CHEMBL3795358</a>";;;;;;;;;-3.9;;;;;;;;;;;;"Jourdan JP, Since M, El Kihel L, Lecoutey C, Corvaisier S, Legay R, Sopkova-de Oliveira Santos J, Cresteil T, Malzert-Fréon A, Rochais C, Dallemagne P.: Novel benzylidenephenylpyrrolizinones with pleiotropic activities potentially useful in Alzheimer's disease treatment. Eur J Med Chem, Volume 114, 2016";ChEMBL
MM470986;MM470986;"COc1cc(C2/C(=C\c3cc(OC)c(O)c(OC)c3)C(=O)c3cccn32)ccc1O";VXLIXBPEBAEVIJ-OQLLNIDSSA-N;407.42;3.79;;;;;GIT-0;EPAM;25;0;"ph = 7.4, <a href=https://www.ebi.ac.uk/chembl/assay_report_card/CHEMBL3795358/  target=_blank>CHEMBL3795358</a>";;;;;;;;;-3.9;;;;;;;;;;;;"Jourdan JP, Since M, El Kihel L, Lecoutey C, Corvaisier S, Legay R, Sopkova-de Oliveira Santos J, Cresteil T, Malzert-Fréon A, Rochais C, Dallemagne P.: Novel benzylidenephenylpyrrolizinones with pleiotropic activities potentially useful in Alzheimer's disease treatment. Eur J Med Chem, Volume 114, 2016";ChEMBL
MM470987;MM470987;O=C1/C(=C/c2ccc(O)c(O)c2)C(c2ccc(O)c(O)c2)n2cccc21;QRRWGDQOWXRNRP-MDWZMJQESA-N;349.34;3.18;;;;;GIT-0;EPAM;25;0;"ph = 7.4, <a href=https://www.ebi.ac.uk/chembl/assay_report_card/CHEMBL3795358/  target=_blank>CHEMBL3795358</a>";;;;;;;;;-5.7;;;;;;;;;;;;"Jourdan JP, Since M, El Kihel L, Lecoutey C, Corvaisier S, Legay R, Sopkova-de Oliveira Santos J, Cresteil T, Malzert-Fréon A, Rochais C, Dallemagne P.: Novel benzylidenephenylpyrrolizinones with pleiotropic activities potentially useful in Alzheimer's disease treatment. Eur J Med Chem, Volume 114, 2016";ChEMBL
MM470975;MM470975;"COc1cc(C2/C(=C\c3ccc(OCc4ccccc4)c(OCc4ccccc4)c3)C(=O)c3cccn32)ccc1OCc1ccccc1";UGHISKUKVIUYBA-JWHWKPFMSA-N;633.74;9.1;;;;;GIT-0;EPAM;25;0;"ph = 7.4, <a href=https://www.ebi.ac.uk/chembl/assay_report_card/CHEMBL3795358/  target=_blank>CHEMBL3795358</a>";;;;;;;;;-10;;;;;;;;;;;;"Jourdan JP, Since M, El Kihel L, Lecoutey C, Corvaisier S, Legay R, Sopkova-de Oliveira Santos J, Cresteil T, Malzert-Fréon A, Rochais C, Dallemagne P.: Novel benzylidenephenylpyrrolizinones with pleiotropic activities potentially useful in Alzheimer's disease treatment. Eur J Med Chem, Volume 114, 2016";ChEMBL
MM470982;MM470982;COc1ccc(/C=C2/C(=O)c3cccn3C2c2ccc(O)c(OC)c2)cc1O;DMVCNOVKHNEBEL-XNTDXEJSSA-N;377.4;3.79;;;;;GIT-0;EPAM;25;0;"ph = 7.4, <a href=https://www.ebi.ac.uk/chembl/assay_report_card/CHEMBL3795358/  target=_blank>CHEMBL3795358</a>";;;;;;;;;-4.4;;;;;;;;;;;;"Jourdan JP, Since M, El Kihel L, Lecoutey C, Corvaisier S, Legay R, Sopkova-de Oliveira Santos J, Cresteil T, Malzert-Fréon A, Rochais C, Dallemagne P.: Novel benzylidenephenylpyrrolizinones with pleiotropic activities potentially useful in Alzheimer's disease treatment. Eur J Med Chem, Volume 114, 2016";ChEMBL
MM470978;MM470978;"COc1ccc(C2/C(=C\c3ccc(O)c(O)c3)C(=O)c3cccn32)cc1O";YSSULCVGNRKDCX-NTEUORMPSA-N;363.37;3.48;;;;;GIT-0;EPAM;25;0;"ph = 7.4, <a href=https://www.ebi.ac.uk/chembl/assay_report_card/CHEMBL3795358/  target=_blank>CHEMBL3795358</a>";;;;;;;;;-4.4;;;;;;;;;;;;"Jourdan JP, Since M, El Kihel L, Lecoutey C, Corvaisier S, Legay R, Sopkova-de Oliveira Santos J, Cresteil T, Malzert-Fréon A, Rochais C, Dallemagne P.: Novel benzylidenephenylpyrrolizinones with pleiotropic activities potentially useful in Alzheimer's disease treatment. Eur J Med Chem, Volume 114, 2016";ChEMBL
MM470983;MM470983;COc1cc(/C=C2/C(=O)c3cccn3C2c2ccc(O)c(OC)c2)ccc1O;WTMOQRUSGZWIBR-XNTDXEJSSA-N;377.4;3.79;;;;;GIT-0;EPAM;25;0;"ph = 7.4, <a href=https://www.ebi.ac.uk/chembl/assay_report_card/CHEMBL3795358/  target=_blank>CHEMBL3795358</a>";;;;;;;;;-3.9;;;;;;;;;;;;"Jourdan JP, Since M, El Kihel L, Lecoutey C, Corvaisier S, Legay R, Sopkova-de Oliveira Santos J, Cresteil T, Malzert-Fréon A, Rochais C, Dallemagne P.: Novel benzylidenephenylpyrrolizinones with pleiotropic activities potentially useful in Alzheimer's disease treatment. Eur J Med Chem, Volume 114, 2016";ChEMBL
MM470984;MM470984;COc1ccc(/C=C2/C(=O)c3cccn3C2c2ccc(O)c(OC)c2)c(OC)c1;XICZBHZGTCROHM-GZTJUZNOSA-N;391.42;4.09;;;;;GIT-0;EPAM;25;0;"ph = 7.4, <a href=https://www.ebi.ac.uk/chembl/assay_report_card/CHEMBL3795358/  target=_blank>CHEMBL3795358</a>";;;;;;;;;-3.9;;;;;;;;;;;;"Jourdan JP, Since M, El Kihel L, Lecoutey C, Corvaisier S, Legay R, Sopkova-de Oliveira Santos J, Cresteil T, Malzert-Fréon A, Rochais C, Dallemagne P.: Novel benzylidenephenylpyrrolizinones with pleiotropic activities potentially useful in Alzheimer's disease treatment. Eur J Med Chem, Volume 114, 2016";ChEMBL
MM470976;MM470976;O=C1/C(=C/c2ccc(O)c(O)c2)C(c2ccccc2)n2cccc21;FNDVAELMPYVSGS-RVDMUPIBSA-N;317.34;3.77;;;;;GIT-0;EPAM;25;0;"ph = 7.4, <a href=https://www.ebi.ac.uk/chembl/assay_report_card/CHEMBL3795358/  target=_blank>CHEMBL3795358</a>";;;;;;;;;-3.9;;;;;;;;;;;;"Jourdan JP, Since M, El Kihel L, Lecoutey C, Corvaisier S, Legay R, Sopkova-de Oliveira Santos J, Cresteil T, Malzert-Fréon A, Rochais C, Dallemagne P.: Novel benzylidenephenylpyrrolizinones with pleiotropic activities potentially useful in Alzheimer's disease treatment. Eur J Med Chem, Volume 114, 2016";ChEMBL
MM471049;MM471049;Cn1ncc2cc(C(=O)Nc3ccc(F)c(Cl)c3)ccc21;ISZVIYGCASWHFG-UHFFFAOYSA-N;303.72;3.62;;;;;GIT-0;EPAM;25;0;"ph = 2, <a href=https://www.ebi.ac.uk/chembl/assay_report_card/CHEMBL3996835/  target=_blank>CHEMBL3996835</a>";;;;;;;;;-4.57;;;;;;;;;;;;"Tzvetkov NT, Stammler HG, Neumann B, Hristova S, Antonov L, Gastreich M.: Crystal structures, binding interactions, and ADME evaluation of brain penetrant N-substituted indazole-5-carboxamides as subnanomolar, selective monoamine oxidase B and dual MAO-A/B inhibitors. Eur J Med Chem, Volume 127, 2017";ChEMBL
MM471049;MM471049;Cn1ncc2cc(C(=O)Nc3ccc(F)c(Cl)c3)ccc21;ISZVIYGCASWHFG-UHFFFAOYSA-N;303.72;3.62;;;;;GIT-0;EPAM;25;0;"ph = 5.5, <a href=https://www.ebi.ac.uk/chembl/assay_report_card/CHEMBL3996836/  target=_blank>CHEMBL3996836</a>";;;;;;;;;-4.53;;;;;;;;;;;;"Tzvetkov NT, Stammler HG, Neumann B, Hristova S, Antonov L, Gastreich M.: Crystal structures, binding interactions, and ADME evaluation of brain penetrant N-substituted indazole-5-carboxamides as subnanomolar, selective monoamine oxidase B and dual MAO-A/B inhibitors. Eur J Med Chem, Volume 127, 2017";ChEMBL
MM471049;MM471049;Cn1ncc2cc(C(=O)Nc3ccc(F)c(Cl)c3)ccc21;ISZVIYGCASWHFG-UHFFFAOYSA-N;303.72;3.62;;;;;GIT-0;EPAM;25;0;"ph = 7.4, <a href=https://www.ebi.ac.uk/chembl/assay_report_card/CHEMBL3996837/  target=_blank>CHEMBL3996837</a>";;;;;;;;;-4.5;;;;;;;;;;;;"Tzvetkov NT, Stammler HG, Neumann B, Hristova S, Antonov L, Gastreich M.: Crystal structures, binding interactions, and ADME evaluation of brain penetrant N-substituted indazole-5-carboxamides as subnanomolar, selective monoamine oxidase B and dual MAO-A/B inhibitors. Eur J Med Chem, Volume 127, 2017";ChEMBL
MM471050;MM471050;Cn1cc2cc(C(=O)Nc3ccc(F)c(Cl)c3)ccc2n1;BAPSXXUHQQELCY-UHFFFAOYSA-N;303.72;3.62;;;;;GIT-0;EPAM;25;0;"ph = 2, <a href=https://www.ebi.ac.uk/chembl/assay_report_card/CHEMBL3996835/  target=_blank>CHEMBL3996835</a>";;;;;;;;;-5.09;;;;;;;;;;;;"Tzvetkov NT, Stammler HG, Neumann B, Hristova S, Antonov L, Gastreich M.: Crystal structures, binding interactions, and ADME evaluation of brain penetrant N-substituted indazole-5-carboxamides as subnanomolar, selective monoamine oxidase B and dual MAO-A/B inhibitors. Eur J Med Chem, Volume 127, 2017";ChEMBL
MM471050;MM471050;Cn1cc2cc(C(=O)Nc3ccc(F)c(Cl)c3)ccc2n1;BAPSXXUHQQELCY-UHFFFAOYSA-N;303.72;3.62;;;;;GIT-0;EPAM;25;0;"ph = 5.5, <a href=https://www.ebi.ac.uk/chembl/assay_report_card/CHEMBL3996836/  target=_blank>CHEMBL3996836</a>";;;;;;;;;-5.04;;;;;;;;;;;;"Tzvetkov NT, Stammler HG, Neumann B, Hristova S, Antonov L, Gastreich M.: Crystal structures, binding interactions, and ADME evaluation of brain penetrant N-substituted indazole-5-carboxamides as subnanomolar, selective monoamine oxidase B and dual MAO-A/B inhibitors. Eur J Med Chem, Volume 127, 2017";ChEMBL
MM471050;MM471050;Cn1cc2cc(C(=O)Nc3ccc(F)c(Cl)c3)ccc2n1;BAPSXXUHQQELCY-UHFFFAOYSA-N;303.72;3.62;;;;;GIT-0;EPAM;25;0;"ph = 7.4, <a href=https://www.ebi.ac.uk/chembl/assay_report_card/CHEMBL3996837/  target=_blank>CHEMBL3996837</a>";;;;;;;;;-5.03;;;;;;;;;;;;"Tzvetkov NT, Stammler HG, Neumann B, Hristova S, Antonov L, Gastreich M.: Crystal structures, binding interactions, and ADME evaluation of brain penetrant N-substituted indazole-5-carboxamides as subnanomolar, selective monoamine oxidase B and dual MAO-A/B inhibitors. Eur J Med Chem, Volume 127, 2017";ChEMBL
MM472009;MM472009;Cc1c(C(=O)NC2CCN(C)CC2)oc2ccc(N(Cc3ccc(Br)cc3)S(=O)(=O)c3ccc(Br)cc3)cc12;SHUUTVAUPGSLJQ-UHFFFAOYSA-N;675.44;6.49;;;;;GIT-0;EPAM;25;0;"ph = 7.4, <a href=https://www.ebi.ac.uk/chembl/assay_report_card/CHEMBL4130770/  target=_blank>CHEMBL4130770</a>";;;;;;;;;-5.18;;;;;;;;;;;;"Xu XL, Yang YR, Mo XF, Wei JL, Zhang XJ, You QD.: Design, synthesis, and evaluation of benzofuran derivatives as novel anti-pancreatic carcinoma agents via interfering the hypoxia environment by targeting HIF-1α pathway. Eur J Med Chem, Volume 137, 2017";ChEMBL
MM472008;MM472008;CCN(CC)CCNC(=O)c1oc2ccc(N(Cc3ccc(Br)cc3)S(=O)(=O)c3ccc(Br)cc3)cc2c1C;MKSIQLOFEKFGAN-UHFFFAOYSA-N;677.46;6.73;;;;;GIT-0;EPAM;25;0;"ph = 7.4, <a href=https://www.ebi.ac.uk/chembl/assay_report_card/CHEMBL4130770/  target=_blank>CHEMBL4130770</a>";;;;;;;;;-5.6;;;;;;;;;;;;"Xu XL, Yang YR, Mo XF, Wei JL, Zhang XJ, You QD.: Design, synthesis, and evaluation of benzofuran derivatives as novel anti-pancreatic carcinoma agents via interfering the hypoxia environment by targeting HIF-1α pathway. Eur J Med Chem, Volume 137, 2017";ChEMBL
Ketoprofen;MM00662;CC(C(=O)O)c1cccc(C(=O)c2ccccc2)c1;DKYWVDODHFEZIM-UHFFFAOYSA-N;254.29;3.11;3825;DB01009;;CHEMBL571;GIT-0;EPAM;25;0;"<a href=https://www.ebi.ac.uk/chembl/assay_report_card/CHEMBL3637355/  target=_blank>CHEMBL3637355</a>";;;;;;;;;-5.35;;;;;;;;;;;;"Feng T, Li D, Wang H, Zhuang J, Liu F, Bao Q, Lei Y, Chen W, Zhang X, Xu X, Sun H, You Q, Guo X.: Novel 5-carboxy-8-HQ based histone demethylase JMJD2A inhibitors: introduction of an additional carboxyl group at the C-2 position of quinoline. Eur J Med Chem, Volume 105, 2015";ChEMBL
Ketoprofen;MM00662;CC(C(=O)O)c1cccc(C(=O)c2ccccc2)c1;DKYWVDODHFEZIM-UHFFFAOYSA-N;254.29;3.11;3825;DB01009;;CHEMBL571;GIT-0;EPAM;25;0;"ph = 7.4, <a href=https://www.ebi.ac.uk/chembl/assay_report_card/CHEMBL3795358/  target=_blank>CHEMBL3795358</a>";;;;;;;;;-5.8;;;;;;;;;;;;"Jourdan JP, Since M, El Kihel L, Lecoutey C, Corvaisier S, Legay R, Sopkova-de Oliveira Santos J, Cresteil T, Malzert-Fréon A, Rochais C, Dallemagne P.: Novel benzylidenephenylpyrrolizinones with pleiotropic activities potentially useful in Alzheimer's disease treatment. Eur J Med Chem, Volume 114, 2016";ChEMBL
Ketoprofen;MM00662;CC(C(=O)O)c1cccc(C(=O)c2ccccc2)c1;DKYWVDODHFEZIM-UHFFFAOYSA-N;254.29;3.11;3825;DB01009;;CHEMBL571;GIT-0;EPAM;25;0;"ph = 7.4, <a href=https://www.ebi.ac.uk/chembl/assay_report_card/CHEMBL4130770/  target=_blank>CHEMBL4130770</a>";;;;;;;;;-5.35;;;;;;;;;;;;"Xu XL, Yang YR, Mo XF, Wei JL, Zhang XJ, You QD.: Design, synthesis, and evaluation of benzofuran derivatives as novel anti-pancreatic carcinoma agents via interfering the hypoxia environment by targeting HIF-1α pathway. Eur J Med Chem, Volume 137, 2017";ChEMBL
Verapamil;MM00585;COc1ccc(CCN(C)CCCC(C#N)(c2ccc(OC)c(OC)c2)C(C)C)cc1OC;SGTNSNPWRIOYBX-UHFFFAOYSA-N;454.61;5.09;2520;DB00661;;CHEMBL6966;GIT-0;EPAM;25;0;"ph = 7.4, <a href=https://www.ebi.ac.uk/chembl/assay_report_card/CHEMBL3996837/  target=_blank>CHEMBL3996837</a>";;;;;;;;;-4.61;;;;;;;;;;;;"Tzvetkov NT, Stammler HG, Neumann B, Hristova S, Antonov L, Gastreich M.: Crystal structures, binding interactions, and ADME evaluation of brain penetrant N-substituted indazole-5-carboxamides as subnanomolar, selective monoamine oxidase B and dual MAO-A/B inhibitors. Eur J Med Chem, Volume 127, 2017";ChEMBL
MM471052;MM471052;O=c1cc(-c2ccccc2)oc2cc(O)c(O)c(O)c12;;270.24;2.58;;;;CHEMBL8260;GIT-0;EPAM;25;0;"<a href=https://www.ebi.ac.uk/chembl/assay_report_card/CHEMBL974561/  target=_blank>CHEMBL974561</a>";;;;;;;;;-6.42;;;;;;;;;;;;"Tarragó T, Kichik N, Claasen B, Prades R, Teixidó M, Giralt E.: Baicalin, a prodrug able to reach the CNS, is a prolyl oligopeptidase inhibitor. Bioorg Med Chem, Volume 16 (15), 2008";ChEMBL
MM471051;MM471051;O=C(O)[C@H]1O[C@@H](Oc2cc3oc(-c4ccccc4)cc(=O)c3c(O)c2O)[C@H](O)[C@@H](O)[C@@H]1O;;446.36;0.14;;;;CHEMBL485818;GIT-0;EPAM;25;0;"<a href=https://www.ebi.ac.uk/chembl/assay_report_card/CHEMBL974561/  target=_blank>CHEMBL974561</a>, mean logPerm value";;;;;;;;;-5.78;;;;;;;;;;;;"Tarragó T, Kichik N, Claasen B, Prades R, Teixidó M, Giralt E.: Baicalin, a prodrug able to reach the CNS, is a prolyl oligopeptidase inhibitor. Bioorg Med Chem, Volume 16 (15), 2008";ChEMBL
Caffeine;MM00040;Cn1c(=O)c2c(ncn2C)n(C)c1=O;RYYVLZVUVIJVGH-UHFFFAOYSA-N;194.19;-1.03;2519;DB00201;CFF;CHEMBL113;BBB;EPAM;25;0;"<a href=https://www.ebi.ac.uk/chembl/assay_report_card/CHEMBL4255024/  target=_blank>CHEMBL4255024</a>";;;;;;;;;-7;;;;;;;;;;;;"Chierrito TPC, Pedersoli-Mantoani S, Roca C, Sebastian-Pérez V, Martínez-Gonzalez L, Pérez DI, Perez C, Canales A, Cañada FJ, Campillo NE, Carvalho I, Martinez A, Martinez A.: Chameleon-like behavior of indolylpiperidines in complex with cholinesterases targets: Potent butyrylcholinesterase inhibitors. Eur J Med Chem, Volume 145, 2018";ChEMBL
Atenolol;MM00078;CC(C)NCC(O)COc1ccc(CC(N)=O)cc1;METKIMKYRPQLGS-GFCCVEGCSA-N;266.34;0.45;2249;DB00335;;CHEMBL24;BBB;EPAM;25;0;"<a href=https://www.ebi.ac.uk/chembl/assay_report_card/CHEMBL4255024/  target=_blank>CHEMBL4255024</a>";;;;;;;;;-6.3;;;;;;;;;;;;"Chierrito TPC, Pedersoli-Mantoani S, Roca C, Sebastian-Pérez V, Martínez-Gonzalez L, Pérez DI, Perez C, Canales A, Cañada FJ, Campillo NE, Carvalho I, Martinez A, Martinez A.: Chameleon-like behavior of indolylpiperidines in complex with cholinesterases targets: Potent butyrylcholinesterase inhibitors. Eur J Med Chem, Volume 145, 2018";ChEMBL
MM471113;MM471113;O=C(CCc1c[nH]c2ccccc12)NCCC1CCN(Cc2ccccc2)CC1;WXTKBXGKRLFVQP-UHFFFAOYSA-N;389.54;4.52;11625278;;;CHEMBL3824248;BBB;EPAM;25;0;"<a href=https://www.ebi.ac.uk/chembl/assay_report_card/CHEMBL4255024/  target=_blank>CHEMBL4255024</a>";;;;;;;;;-5.66;;;;;;;;;;;;"Chierrito TPC, Pedersoli-Mantoani S, Roca C, Sebastian-Pérez V, Martínez-Gonzalez L, Pérez DI, Perez C, Canales A, Cañada FJ, Campillo NE, Carvalho I, Martinez A, Martinez A.: Chameleon-like behavior of indolylpiperidines in complex with cholinesterases targets: Potent butyrylcholinesterase inhibitors. Eur J Med Chem, Volume 145, 2018";ChEMBL
Testosterone;MM00423;CC12CCC(=O)C=C1CCC1C2CCC2(C)C(O)CCC12;MUMGGOZAMZWBJJ-UHFFFAOYSA-N;288.43;3.88;6013;DB00624;TES;CHEMBL386630;BBB;EPAM;25;0;"<a href=https://www.ebi.ac.uk/chembl/assay_report_card/CHEMBL4255024/  target=_blank>CHEMBL4255024</a>";;;;;;;;;-4.77;;;;;;;;;;;;"Chierrito TPC, Pedersoli-Mantoani S, Roca C, Sebastian-Pérez V, Martínez-Gonzalez L, Pérez DI, Perez C, Canales A, Cañada FJ, Campillo NE, Carvalho I, Martinez A, Martinez A.: Chameleon-like behavior of indolylpiperidines in complex with cholinesterases targets: Potent butyrylcholinesterase inhibitors. Eur J Med Chem, Volume 145, 2018";ChEMBL
Hydrocortisone;MM00044;CC12CCC(=O)C=C1CCC1C2C(O)CC2(C)C1CCC2(O)C(=O)CO;JYGXADMDTFJGBT-UHFFFAOYSA-N;362.47;1.78;5754;DB00741;HCY;CHEMBL389621;BBB;EPAM;25;0;"<a href=https://www.ebi.ac.uk/chembl/assay_report_card/CHEMBL4255024/  target=_blank>CHEMBL4255024</a>";;;;;;;;;-6.4;;;;;;;;;;;;"Chierrito TPC, Pedersoli-Mantoani S, Roca C, Sebastian-Pérez V, Martínez-Gonzalez L, Pérez DI, Perez C, Canales A, Cañada FJ, Campillo NE, Carvalho I, Martinez A, Martinez A.: Chameleon-like behavior of indolylpiperidines in complex with cholinesterases targets: Potent butyrylcholinesterase inhibitors. Eur J Med Chem, Volume 145, 2018";ChEMBL
Ofloxacin;MM00769;CC1COc2c(N3CCN(C)CC3)c(F)cc3c(=O)c(C(=O)O)cn1c23;GSDSWSVVBLHKDQ-UHFFFAOYSA-N;361.37;1.54;4583;DB01165;;CHEMBL4;BBB;EPAM;25;0;"<a href=https://www.ebi.ac.uk/chembl/assay_report_card/CHEMBL4255024/  target=_blank>CHEMBL4255024</a>";;;;;;;;;-6.1;;;;;;;;;;;;"Chierrito TPC, Pedersoli-Mantoani S, Roca C, Sebastian-Pérez V, Martínez-Gonzalez L, Pérez DI, Perez C, Canales A, Cañada FJ, Campillo NE, Carvalho I, Martinez A, Martinez A.: Chameleon-like behavior of indolylpiperidines in complex with cholinesterases targets: Potent butyrylcholinesterase inhibitors. Eur J Med Chem, Volume 145, 2018";ChEMBL
MM474355;MM474355;Cc1[nH]c2ccccc2c1CC(=O)NCCC1CCN(Cc2ccccc2)CC1;;389.54;4.44;;;;CHEMBL4277879;BBB;EPAM;25;0;"<a href=https://www.ebi.ac.uk/chembl/assay_report_card/CHEMBL4255024/  target=_blank>CHEMBL4255024</a>";;;;;;;;;-5.64;;;;;;;;;;;;"Chierrito TPC, Pedersoli-Mantoani S, Roca C, Sebastian-Pérez V, Martínez-Gonzalez L, Pérez DI, Perez C, Canales A, Cañada FJ, Campillo NE, Carvalho I, Martinez A, Martinez A.: Chameleon-like behavior of indolylpiperidines in complex with cholinesterases targets: Potent butyrylcholinesterase inhibitors. Eur J Med Chem, Volume 145, 2018";ChEMBL
MM474356;MM474356;Cn1cc(C(=O)NCCC2CCN(Cc3ccccc3)CC2)c2ccccc21;;375.52;4.21;;;;CHEMBL4282414;BBB;EPAM;25;0;"<a href=https://www.ebi.ac.uk/chembl/assay_report_card/CHEMBL4255024/  target=_blank>CHEMBL4255024</a>";;;;;;;;;-5.32;;;;;;;;;;;;"Chierrito TPC, Pedersoli-Mantoani S, Roca C, Sebastian-Pérez V, Martínez-Gonzalez L, Pérez DI, Perez C, Canales A, Cañada FJ, Campillo NE, Carvalho I, Martinez A, Martinez A.: Chameleon-like behavior of indolylpiperidines in complex with cholinesterases targets: Potent butyrylcholinesterase inhibitors. Eur J Med Chem, Volume 145, 2018";ChEMBL
MM474358;MM474358;O=C(Cc1c[nH]c2ccccc12)NCCC1CCN(Cc2ccccc2)CC1;;375.52;4.13;;;;CHEMBL4283651;BBB;EPAM;25;0;"<a href=https://www.ebi.ac.uk/chembl/assay_report_card/CHEMBL4255024/  target=_blank>CHEMBL4255024</a>";;;;;;;;;-5.62;;;;;;;;;;;;"Chierrito TPC, Pedersoli-Mantoani S, Roca C, Sebastian-Pérez V, Martínez-Gonzalez L, Pérez DI, Perez C, Canales A, Cañada FJ, Campillo NE, Carvalho I, Martinez A, Martinez A.: Chameleon-like behavior of indolylpiperidines in complex with cholinesterases targets: Potent butyrylcholinesterase inhibitors. Eur J Med Chem, Volume 145, 2018";ChEMBL
MM474354;MM474354;O=C(Cc1c[nH]c2ccc(Br)cc12)NCCC1CCN(Cc2ccccc2)CC1;;454.41;4.89;;;;CHEMBL4285818;BBB;EPAM;25;0;"<a href=https://www.ebi.ac.uk/chembl/assay_report_card/CHEMBL4255024/  target=_blank>CHEMBL4255024</a>";;;;;;;;;-5.24;;;;;;;;;;;;"Chierrito TPC, Pedersoli-Mantoani S, Roca C, Sebastian-Pérez V, Martínez-Gonzalez L, Pérez DI, Perez C, Canales A, Cañada FJ, Campillo NE, Carvalho I, Martinez A, Martinez A.: Chameleon-like behavior of indolylpiperidines in complex with cholinesterases targets: Potent butyrylcholinesterase inhibitors. Eur J Med Chem, Volume 145, 2018";ChEMBL
MM474357;MM474357;Cn1cc(CC(=O)NCCC2CCN(Cc3ccccc3)CC2)c2ccccc21;;389.54;4.14;;;;CHEMBL4293015;BBB;EPAM;25;0;"<a href=https://www.ebi.ac.uk/chembl/assay_report_card/CHEMBL4255024/  target=_blank>CHEMBL4255024</a>";;;;;;;;;-5.14;;;;;;;;;;;;"Chierrito TPC, Pedersoli-Mantoani S, Roca C, Sebastian-Pérez V, Martínez-Gonzalez L, Pérez DI, Perez C, Canales A, Cañada FJ, Campillo NE, Carvalho I, Martinez A, Martinez A.: Chameleon-like behavior of indolylpiperidines in complex with cholinesterases targets: Potent butyrylcholinesterase inhibitors. Eur J Med Chem, Volume 145, 2018";ChEMBL
MM474353;MM474353;O=C(CCCc1c[nH]c2ccccc12)NCCC1CCN(Cc2ccccc2)CC1;;403.57;4.91;;;;CHEMBL4294109;BBB;EPAM;25;0;"<a href=https://www.ebi.ac.uk/chembl/assay_report_card/CHEMBL4255024/  target=_blank>CHEMBL4255024</a>";;;;;;;;;-5.41;;;;;;;;;;;;"Chierrito TPC, Pedersoli-Mantoani S, Roca C, Sebastian-Pérez V, Martínez-Gonzalez L, Pérez DI, Perez C, Canales A, Cañada FJ, Campillo NE, Carvalho I, Martinez A, Martinez A.: Chameleon-like behavior of indolylpiperidines in complex with cholinesterases targets: Potent butyrylcholinesterase inhibitors. Eur J Med Chem, Volume 145, 2018";ChEMBL
Piroxicam;MM00682;CN1C(C(=O)Nc2ccccn2)=C(O)c2ccccc2S1(=O)=O;QYSPLQLAKJAUJT-UHFFFAOYSA-N;331.35;1.58;54676228;DB00554;;CHEMBL527;BBB;EPAM;25;0;"<a href=https://www.ebi.ac.uk/chembl/assay_report_card/CHEMBL4255024/  target=_blank>CHEMBL4255024</a>";;;;;;;;;-7;;;;;;;;;;;;"Chierrito TPC, Pedersoli-Mantoani S, Roca C, Sebastian-Pérez V, Martínez-Gonzalez L, Pérez DI, Perez C, Canales A, Cañada FJ, Campillo NE, Carvalho I, Martinez A, Martinez A.: Chameleon-like behavior of indolylpiperidines in complex with cholinesterases targets: Potent butyrylcholinesterase inhibitors. Eur J Med Chem, Volume 145, 2018";ChEMBL
Promazine;MM00780;CN(C)CCCN1c2ccccc2Sc2ccccc21;ZGUGWUXLJSTTMA-UHFFFAOYSA-N;284.43;4.24;4926;DB00420;P2Z;CHEMBL564;BBB;EPAM;25;0;"<a href=https://www.ebi.ac.uk/chembl/assay_report_card/CHEMBL4255024/  target=_blank>CHEMBL4255024</a>";;;;;;;;;-4.93;;;;;;;;;;;;"Chierrito TPC, Pedersoli-Mantoani S, Roca C, Sebastian-Pérez V, Martínez-Gonzalez L, Pérez DI, Perez C, Canales A, Cañada FJ, Campillo NE, Carvalho I, Martinez A, Martinez A.: Chameleon-like behavior of indolylpiperidines in complex with cholinesterases targets: Potent butyrylcholinesterase inhibitors. Eur J Med Chem, Volume 145, 2018";ChEMBL
Verapamil;MM00585;COc1ccc(CCN(C)CCCC(C#N)(c2ccc(OC)c(OC)c2)C(C)C)cc1OC;SGTNSNPWRIOYBX-UHFFFAOYSA-N;454.61;5.09;2520;DB00661;;CHEMBL6966;BBB;EPAM;25;0;"<a href=https://www.ebi.ac.uk/chembl/assay_report_card/CHEMBL4255024/  target=_blank>CHEMBL4255024</a>";;;;;;;;;-4.77;;;;;;;;;;;;"Chierrito TPC, Pedersoli-Mantoani S, Roca C, Sebastian-Pérez V, Martínez-Gonzalez L, Pérez DI, Perez C, Canales A, Cañada FJ, Campillo NE, Carvalho I, Martinez A, Martinez A.: Chameleon-like behavior of indolylpiperidines in complex with cholinesterases targets: Potent butyrylcholinesterase inhibitors. Eur J Med Chem, Volume 145, 2018";ChEMBL
Desipramine;MM00474;CNCCCN1c2ccccc2CCc2ccccc21;HCYAFALTSJYZDH-UHFFFAOYSA-N;266.39;3.53;2995;DB01151;DSM;CHEMBL72;BBB;EPAM;25;0;"<a href=https://www.ebi.ac.uk/chembl/assay_report_card/CHEMBL4255024/  target=_blank>CHEMBL4255024</a>";;;;;;;;;-4.94;;;;;;;;;;;;"Chierrito TPC, Pedersoli-Mantoani S, Roca C, Sebastian-Pérez V, Martínez-Gonzalez L, Pérez DI, Perez C, Canales A, Cañada FJ, Campillo NE, Carvalho I, Martinez A, Martinez A.: Chameleon-like behavior of indolylpiperidines in complex with cholinesterases targets: Potent butyrylcholinesterase inhibitors. Eur J Med Chem, Volume 145, 2018";ChEMBL
Enoxacin;MM00733;CCn1cc(C(=O)O)c(=O)c2cc(F)c(N3CCNCC3)nc21;IDYZIJYBMGIQMJ-UHFFFAOYSA-N;320.32;0.66;3229;DB00467;;CHEMBL826;BBB;EPAM;25;0;"<a href=https://www.ebi.ac.uk/chembl/assay_report_card/CHEMBL4255024/  target=_blank>CHEMBL4255024</a>";;;;;;;;;-6.3;;;;;;;;;;;;"Chierrito TPC, Pedersoli-Mantoani S, Roca C, Sebastian-Pérez V, Martínez-Gonzalez L, Pérez DI, Perez C, Canales A, Cañada FJ, Campillo NE, Carvalho I, Martinez A, Martinez A.: Chameleon-like behavior of indolylpiperidines in complex with cholinesterases targets: Potent butyrylcholinesterase inhibitors. Eur J Med Chem, Volume 145, 2018";ChEMBL
Carbamazepine;MM00341;NC(=O)N1c2ccccc2C=Cc2ccccc21;FFGPTBGBLSHEPO-UHFFFAOYSA-N;236.27;3.39;2554;DB00564;;CHEMBL108;PL-A;EPAM;25;0;"<a href=https://www.ebi.ac.uk/chembl/assay_report_card/CHEMBL4255025/  target=_blank>CHEMBL4255025</a>";;;;;;;;;-4.95;;;;;;;;;;;;"Chierrito TPC, Pedersoli-Mantoani S, Roca C, Sebastian-Pérez V, Martínez-Gonzalez L, Pérez DI, Perez C, Canales A, Cañada FJ, Campillo NE, Carvalho I, Martinez A, Martinez A.: Chameleon-like behavior of indolylpiperidines in complex with cholinesterases targets: Potent butyrylcholinesterase inhibitors. Eur J Med Chem, Volume 145, 2018";ChEMBL
Carbamazepine;MM00341;NC(=O)N1c2ccccc2C=Cc2ccccc21;FFGPTBGBLSHEPO-UHFFFAOYSA-N;236.27;3.39;2554;DB00564;;CHEMBL108;PL-A;EPAM;25;0;"<a href=https://www.ebi.ac.uk/chembl/assay_report_card/CHEMBL4255026/  target=_blank>CHEMBL4255026</a>";;;;;;;;;-4.95;;;;;;;;;;;;"Chierrito TPC, Pedersoli-Mantoani S, Roca C, Sebastian-Pérez V, Martínez-Gonzalez L, Pérez DI, Perez C, Canales A, Cañada FJ, Campillo NE, Carvalho I, Martinez A, Martinez A.: Chameleon-like behavior of indolylpiperidines in complex with cholinesterases targets: Potent butyrylcholinesterase inhibitors. Eur J Med Chem, Volume 145, 2018";ChEMBL
Diclofenac;MM00090;O=C(O)Cc1ccccc1Nc1c(Cl)cccc1Cl;DCOPUUMXTXDBNB-UHFFFAOYSA-N;296.15;4.36;3033;DB00586;DIF;CHEMBL139;PL-A;EPAM;25;0;"<a href=https://www.ebi.ac.uk/chembl/assay_report_card/CHEMBL4255025/  target=_blank>CHEMBL4255025</a>";;;;;;;;;-4.9;;;;;;;;;;;;"Chierrito TPC, Pedersoli-Mantoani S, Roca C, Sebastian-Pérez V, Martínez-Gonzalez L, Pérez DI, Perez C, Canales A, Cañada FJ, Campillo NE, Carvalho I, Martinez A, Martinez A.: Chameleon-like behavior of indolylpiperidines in complex with cholinesterases targets: Potent butyrylcholinesterase inhibitors. Eur J Med Chem, Volume 145, 2018";ChEMBL
Diclofenac;MM00090;O=C(O)Cc1ccccc1Nc1c(Cl)cccc1Cl;DCOPUUMXTXDBNB-UHFFFAOYSA-N;296.15;4.36;3033;DB00586;DIF;CHEMBL139;PL-A;EPAM;25;0;"<a href=https://www.ebi.ac.uk/chembl/assay_report_card/CHEMBL4255026/  target=_blank>CHEMBL4255026</a>";;;;;;;;;-4.93;;;;;;;;;;;;"Chierrito TPC, Pedersoli-Mantoani S, Roca C, Sebastian-Pérez V, Martínez-Gonzalez L, Pérez DI, Perez C, Canales A, Cañada FJ, Campillo NE, Carvalho I, Martinez A, Martinez A.: Chameleon-like behavior of indolylpiperidines in complex with cholinesterases targets: Potent butyrylcholinesterase inhibitors. Eur J Med Chem, Volume 145, 2018";ChEMBL
MM474359;MM474359;"CO/N=C(\C(=O)N[C@@H]1C(=O)N2C(C(=O)O)=C(CSc3nc(=O)c(O)nn3C)CS[C@H]12)c1csc(N)n1";VAAUVRVFOQPIGI-SPQHTLEESA-N;554.59;-1.2;;;;;PL-A;EPAM;25;0;"<a href=https://www.ebi.ac.uk/chembl/assay_report_card/CHEMBL4255026/  target=_blank>CHEMBL4255026</a>";;;;;;;;;-7;;;;;;;;;;;;"Chierrito TPC, Pedersoli-Mantoani S, Roca C, Sebastian-Pérez V, Martínez-Gonzalez L, Pérez DI, Perez C, Canales A, Cañada FJ, Campillo NE, Carvalho I, Martinez A, Martinez A.: Chameleon-like behavior of indolylpiperidines in complex with cholinesterases targets: Potent butyrylcholinesterase inhibitors. Eur J Med Chem, Volume 145, 2018";ChEMBL
9-hyroxyethoxymethylguanine;MM00074;Nc1nc(=O)c2ncn(COCCO)c2[nH]1;MKUXAQIIEYXACX-UHFFFAOYSA-N;225.21;-1.33;2022;DB00787;AC2;CHEMBL184;PL-A;EPAM;25;0;"<a href=https://www.ebi.ac.uk/chembl/assay_report_card/CHEMBL4255026/  target=_blank>CHEMBL4255026</a>";;;;;;;;;-7;;;;;;;;;;;;"Chierrito TPC, Pedersoli-Mantoani S, Roca C, Sebastian-Pérez V, Martínez-Gonzalez L, Pérez DI, Perez C, Canales A, Cañada FJ, Campillo NE, Carvalho I, Martinez A, Martinez A.: Chameleon-like behavior of indolylpiperidines in complex with cholinesterases targets: Potent butyrylcholinesterase inhibitors. Eur J Med Chem, Volume 145, 2018";ChEMBL
Atenolol;MM00078;CC(C)NCC(O)COc1ccc(CC(N)=O)cc1;METKIMKYRPQLGS-GFCCVEGCSA-N;266.34;0.45;2249;DB00335;;CHEMBL24;PL-A;EPAM;25;0;"<a href=https://www.ebi.ac.uk/chembl/assay_report_card/CHEMBL4255026/  target=_blank>CHEMBL4255026</a>";;;;;;;;;-7;;;;;;;;;;;;"Chierrito TPC, Pedersoli-Mantoani S, Roca C, Sebastian-Pérez V, Martínez-Gonzalez L, Pérez DI, Perez C, Canales A, Cañada FJ, Campillo NE, Carvalho I, Martinez A, Martinez A.: Chameleon-like behavior of indolylpiperidines in complex with cholinesterases targets: Potent butyrylcholinesterase inhibitors. Eur J Med Chem, Volume 145, 2018";ChEMBL
MM471113;MM471113;O=C(CCc1c[nH]c2ccccc12)NCCC1CCN(Cc2ccccc2)CC1;WXTKBXGKRLFVQP-UHFFFAOYSA-N;389.54;4.52;11625278;;;CHEMBL3824248;PL-A;EPAM;25;0;"<a href=https://www.ebi.ac.uk/chembl/assay_report_card/CHEMBL4255026/  target=_blank>CHEMBL4255026</a>";;;;;;;;;-6.15;;;;;;;;;;;;"Chierrito TPC, Pedersoli-Mantoani S, Roca C, Sebastian-Pérez V, Martínez-Gonzalez L, Pérez DI, Perez C, Canales A, Cañada FJ, Campillo NE, Carvalho I, Martinez A, Martinez A.: Chameleon-like behavior of indolylpiperidines in complex with cholinesterases targets: Potent butyrylcholinesterase inhibitors. Eur J Med Chem, Volume 145, 2018";ChEMBL
Hydrocortisone;MM00044;CC12CCC(=O)C=C1CCC1C2C(O)CC2(C)C1CCC2(O)C(=O)CO;JYGXADMDTFJGBT-UHFFFAOYSA-N;362.47;1.78;5754;DB00741;HCY;CHEMBL389621;PL-A;EPAM;25;0;"<a href=https://www.ebi.ac.uk/chembl/assay_report_card/CHEMBL4255025/  target=_blank>CHEMBL4255025</a>";;;;;;;;;-5.47;;;;;;;;;;;;"Chierrito TPC, Pedersoli-Mantoani S, Roca C, Sebastian-Pérez V, Martínez-Gonzalez L, Pérez DI, Perez C, Canales A, Cañada FJ, Campillo NE, Carvalho I, Martinez A, Martinez A.: Chameleon-like behavior of indolylpiperidines in complex with cholinesterases targets: Potent butyrylcholinesterase inhibitors. Eur J Med Chem, Volume 145, 2018";ChEMBL
Hydrocortisone;MM00044;CC12CCC(=O)C=C1CCC1C2C(O)CC2(C)C1CCC2(O)C(=O)CO;JYGXADMDTFJGBT-UHFFFAOYSA-N;362.47;1.78;5754;DB00741;HCY;CHEMBL389621;PL-A;EPAM;25;0;"<a href=https://www.ebi.ac.uk/chembl/assay_report_card/CHEMBL4255026/  target=_blank>CHEMBL4255026</a>";;;;;;;;;-6.52;;;;;;;;;;;;"Chierrito TPC, Pedersoli-Mantoani S, Roca C, Sebastian-Pérez V, Martínez-Gonzalez L, Pérez DI, Perez C, Canales A, Cañada FJ, Campillo NE, Carvalho I, Martinez A, Martinez A.: Chameleon-like behavior of indolylpiperidines in complex with cholinesterases targets: Potent butyrylcholinesterase inhibitors. Eur J Med Chem, Volume 145, 2018";ChEMBL
Sulfasalazine;MM00690;O=C(O)c1cc(N=Nc2ccc(S(=O)(=O)Nc3ccccn3)cc2)ccc1O;NCEXYHBECQHGNR-UHFFFAOYSA-N;398.4;3.7;5359476;DB00795;SAS;CHEMBL421;PL-A;EPAM;25;0;"<a href=https://www.ebi.ac.uk/chembl/assay_report_card/CHEMBL4255025/  target=_blank>CHEMBL4255025</a>";;;;;;;;;-7;;;;;;;;;;;;"Chierrito TPC, Pedersoli-Mantoani S, Roca C, Sebastian-Pérez V, Martínez-Gonzalez L, Pérez DI, Perez C, Canales A, Cañada FJ, Campillo NE, Carvalho I, Martinez A, Martinez A.: Chameleon-like behavior of indolylpiperidines in complex with cholinesterases targets: Potent butyrylcholinesterase inhibitors. Eur J Med Chem, Volume 145, 2018";ChEMBL
Sulfasalazine;MM00690;O=C(O)c1cc(N=Nc2ccc(S(=O)(=O)Nc3ccccn3)cc2)ccc1O;NCEXYHBECQHGNR-UHFFFAOYSA-N;398.4;3.7;5359476;DB00795;SAS;CHEMBL421;PL-A;EPAM;25;0;"<a href=https://www.ebi.ac.uk/chembl/assay_report_card/CHEMBL4255026/  target=_blank>CHEMBL4255026</a>";;;;;;;;;-7;;;;;;;;;;;;"Chierrito TPC, Pedersoli-Mantoani S, Roca C, Sebastian-Pérez V, Martínez-Gonzalez L, Pérez DI, Perez C, Canales A, Cañada FJ, Campillo NE, Carvalho I, Martinez A, Martinez A.: Chameleon-like behavior of indolylpiperidines in complex with cholinesterases targets: Potent butyrylcholinesterase inhibitors. Eur J Med Chem, Volume 145, 2018";ChEMBL
MM474355;MM474355;Cc1[nH]c2ccccc2c1CC(=O)NCCC1CCN(Cc2ccccc2)CC1;;389.54;4.44;;;;CHEMBL4277879;PL-A;EPAM;25;0;"<a href=https://www.ebi.ac.uk/chembl/assay_report_card/CHEMBL4255026/  target=_blank>CHEMBL4255026</a>";;;;;;;;;-6.15;;;;;;;;;;;;"Chierrito TPC, Pedersoli-Mantoani S, Roca C, Sebastian-Pérez V, Martínez-Gonzalez L, Pérez DI, Perez C, Canales A, Cañada FJ, Campillo NE, Carvalho I, Martinez A, Martinez A.: Chameleon-like behavior of indolylpiperidines in complex with cholinesterases targets: Potent butyrylcholinesterase inhibitors. Eur J Med Chem, Volume 145, 2018";ChEMBL
MM474356;MM474356;Cn1cc(C(=O)NCCC2CCN(Cc3ccccc3)CC2)c2ccccc21;;375.52;4.21;;;;CHEMBL4282414;PL-A;EPAM;25;0;"<a href=https://www.ebi.ac.uk/chembl/assay_report_card/CHEMBL4255026/  target=_blank>CHEMBL4255026</a>";;;;;;;;;-5.34;;;;;;;;;;;;"Chierrito TPC, Pedersoli-Mantoani S, Roca C, Sebastian-Pérez V, Martínez-Gonzalez L, Pérez DI, Perez C, Canales A, Cañada FJ, Campillo NE, Carvalho I, Martinez A, Martinez A.: Chameleon-like behavior of indolylpiperidines in complex with cholinesterases targets: Potent butyrylcholinesterase inhibitors. Eur J Med Chem, Volume 145, 2018";ChEMBL
MM474358;MM474358;O=C(Cc1c[nH]c2ccccc12)NCCC1CCN(Cc2ccccc2)CC1;;375.52;4.13;;;;CHEMBL4283651;PL-A;EPAM;25;0;"<a href=https://www.ebi.ac.uk/chembl/assay_report_card/CHEMBL4255026/  target=_blank>CHEMBL4255026</a>";;;;;;;;;-7;;;;;;;;;;;;"Chierrito TPC, Pedersoli-Mantoani S, Roca C, Sebastian-Pérez V, Martínez-Gonzalez L, Pérez DI, Perez C, Canales A, Cañada FJ, Campillo NE, Carvalho I, Martinez A, Martinez A.: Chameleon-like behavior of indolylpiperidines in complex with cholinesterases targets: Potent butyrylcholinesterase inhibitors. Eur J Med Chem, Volume 145, 2018";ChEMBL
MM474354;MM474354;O=C(Cc1c[nH]c2ccc(Br)cc12)NCCC1CCN(Cc2ccccc2)CC1;;454.41;4.89;;;;CHEMBL4285818;PL-A;EPAM;25;0;"<a href=https://www.ebi.ac.uk/chembl/assay_report_card/CHEMBL4255026/  target=_blank>CHEMBL4255026</a>";;;;;;;;;-6.3;;;;;;;;;;;;"Chierrito TPC, Pedersoli-Mantoani S, Roca C, Sebastian-Pérez V, Martínez-Gonzalez L, Pérez DI, Perez C, Canales A, Cañada FJ, Campillo NE, Carvalho I, Martinez A, Martinez A.: Chameleon-like behavior of indolylpiperidines in complex with cholinesterases targets: Potent butyrylcholinesterase inhibitors. Eur J Med Chem, Volume 145, 2018";ChEMBL
MM474357;MM474357;Cn1cc(CC(=O)NCCC2CCN(Cc3ccccc3)CC2)c2ccccc21;;389.54;4.14;;;;CHEMBL4293015;PL-A;EPAM;25;0;"<a href=https://www.ebi.ac.uk/chembl/assay_report_card/CHEMBL4255026/  target=_blank>CHEMBL4255026</a>";;;;;;;;;-5.26;;;;;;;;;;;;"Chierrito TPC, Pedersoli-Mantoani S, Roca C, Sebastian-Pérez V, Martínez-Gonzalez L, Pérez DI, Perez C, Canales A, Cañada FJ, Campillo NE, Carvalho I, Martinez A, Martinez A.: Chameleon-like behavior of indolylpiperidines in complex with cholinesterases targets: Potent butyrylcholinesterase inhibitors. Eur J Med Chem, Volume 145, 2018";ChEMBL
MM474353;MM474353;O=C(CCCc1c[nH]c2ccccc12)NCCC1CCN(Cc2ccccc2)CC1;;403.57;4.91;;;;CHEMBL4294109;PL-A;EPAM;25;0;"<a href=https://www.ebi.ac.uk/chembl/assay_report_card/CHEMBL4255026/  target=_blank>CHEMBL4255026</a>";;;;;;;;;-7;;;;;;;;;;;;"Chierrito TPC, Pedersoli-Mantoani S, Roca C, Sebastian-Pérez V, Martínez-Gonzalez L, Pérez DI, Perez C, Canales A, Cañada FJ, Campillo NE, Carvalho I, Martinez A, Martinez A.: Chameleon-like behavior of indolylpiperidines in complex with cholinesterases targets: Potent butyrylcholinesterase inhibitors. Eur J Med Chem, Volume 145, 2018";ChEMBL
MM471029;MM471029;"CN/C(=C\[N+](=O)[O-])NCCSCc1ccc(CN(C)C)o1";VMXUWOKSQNHOCA-UKTHLTGXSA-N;314.41;1.46;;;;;PL-A;EPAM;25;+1,-1;"<a href=https://www.ebi.ac.uk/chembl/assay_report_card/CHEMBL4255025/  target=_blank>CHEMBL4255025</a>";;;;;;;;;-6.3;;;;;;;;;;;;"Chierrito TPC, Pedersoli-Mantoani S, Roca C, Sebastian-Pérez V, Martínez-Gonzalez L, Pérez DI, Perez C, Canales A, Cañada FJ, Campillo NE, Carvalho I, Martinez A, Martinez A.: Chameleon-like behavior of indolylpiperidines in complex with cholinesterases targets: Potent butyrylcholinesterase inhibitors. Eur J Med Chem, Volume 145, 2018";ChEMBL
MM471029;MM471029;"CN/C(=C\[N+](=O)[O-])NCCSCc1ccc(CN(C)C)o1";VMXUWOKSQNHOCA-UKTHLTGXSA-N;314.41;1.46;;;;;PL-A;EPAM;25;+1,-1;"<a href=https://www.ebi.ac.uk/chembl/assay_report_card/CHEMBL4255026/  target=_blank>CHEMBL4255026</a>";;;;;;;;;-7;;;;;;;;;;;;"Chierrito TPC, Pedersoli-Mantoani S, Roca C, Sebastian-Pérez V, Martínez-Gonzalez L, Pérez DI, Perez C, Canales A, Cañada FJ, Campillo NE, Carvalho I, Martinez A, Martinez A.: Chameleon-like behavior of indolylpiperidines in complex with cholinesterases targets: Potent butyrylcholinesterase inhibitors. Eur J Med Chem, Volume 145, 2018";ChEMBL
Coumarin;MM00042;O=c1ccc2ccccc2o1;ZYGHJZDHTFUPRJ-UHFFFAOYSA-N;146.15;1.79;323;DB04665;COU;CHEMBL6466;PL-A;EPAM;25;0;"<a href=https://www.ebi.ac.uk/chembl/assay_report_card/CHEMBL4255025/  target=_blank>CHEMBL4255025</a>";;;;;;;;;-4.66;;;;;;;;;;;;"Chierrito TPC, Pedersoli-Mantoani S, Roca C, Sebastian-Pérez V, Martínez-Gonzalez L, Pérez DI, Perez C, Canales A, Cañada FJ, Campillo NE, Carvalho I, Martinez A, Martinez A.: Chameleon-like behavior of indolylpiperidines in complex with cholinesterases targets: Potent butyrylcholinesterase inhibitors. Eur J Med Chem, Volume 145, 2018";ChEMBL
Coumarin;MM00042;O=c1ccc2ccccc2o1;ZYGHJZDHTFUPRJ-UHFFFAOYSA-N;146.15;1.79;323;DB04665;COU;CHEMBL6466;PL-A;EPAM;25;0;"<a href=https://www.ebi.ac.uk/chembl/assay_report_card/CHEMBL4255026/  target=_blank>CHEMBL4255026</a>";;;;;;;;;-4.71;;;;;;;;;;;;"Chierrito TPC, Pedersoli-Mantoani S, Roca C, Sebastian-Pérez V, Martínez-Gonzalez L, Pérez DI, Perez C, Canales A, Cañada FJ, Campillo NE, Carvalho I, Martinez A, Martinez A.: Chameleon-like behavior of indolylpiperidines in complex with cholinesterases targets: Potent butyrylcholinesterase inhibitors. Eur J Med Chem, Volume 145, 2018";ChEMBL
Verapamil;MM00585;COc1ccc(CCN(C)CCCC(C#N)(c2ccc(OC)c(OC)c2)C(C)C)cc1OC;SGTNSNPWRIOYBX-UHFFFAOYSA-N;454.61;5.09;2520;DB00661;;CHEMBL6966;PL-A;EPAM;25;0;"<a href=https://www.ebi.ac.uk/chembl/assay_report_card/CHEMBL4255025/  target=_blank>CHEMBL4255025</a>";;;;;;;;;-5.13;;;;;;;;;;;;"Chierrito TPC, Pedersoli-Mantoani S, Roca C, Sebastian-Pérez V, Martínez-Gonzalez L, Pérez DI, Perez C, Canales A, Cañada FJ, Campillo NE, Carvalho I, Martinez A, Martinez A.: Chameleon-like behavior of indolylpiperidines in complex with cholinesterases targets: Potent butyrylcholinesterase inhibitors. Eur J Med Chem, Volume 145, 2018";ChEMBL
Verapamil;MM00585;COc1ccc(CCN(C)CCCC(C#N)(c2ccc(OC)c(OC)c2)C(C)C)cc1OC;SGTNSNPWRIOYBX-UHFFFAOYSA-N;454.61;5.09;2520;DB00661;;CHEMBL6966;PL-A;EPAM;25;0;"<a href=https://www.ebi.ac.uk/chembl/assay_report_card/CHEMBL4255026/  target=_blank>CHEMBL4255026</a>";;;;;;;;;-5.19;;;;;;;;;;;;"Chierrito TPC, Pedersoli-Mantoani S, Roca C, Sebastian-Pérez V, Martínez-Gonzalez L, Pérez DI, Perez C, Canales A, Cañada FJ, Campillo NE, Carvalho I, Martinez A, Martinez A.: Chameleon-like behavior of indolylpiperidines in complex with cholinesterases targets: Potent butyrylcholinesterase inhibitors. Eur J Med Chem, Volume 145, 2018";ChEMBL
Norfloxacin;MM00768;CCn1cc(C(=O)O)c(=O)c2cc(F)c(N3CCNCC3)cc21;OGJPXUAPXNRGGI-UHFFFAOYSA-N;319.34;1.27;4539;DB01059;;CHEMBL9;PL-A;EPAM;25;0;"<a href=https://www.ebi.ac.uk/chembl/assay_report_card/CHEMBL4255025/  target=_blank>CHEMBL4255025</a>";;;;;;;;;-6.05;;;;;;;;;;;;"Chierrito TPC, Pedersoli-Mantoani S, Roca C, Sebastian-Pérez V, Martínez-Gonzalez L, Pérez DI, Perez C, Canales A, Cañada FJ, Campillo NE, Carvalho I, Martinez A, Martinez A.: Chameleon-like behavior of indolylpiperidines in complex with cholinesterases targets: Potent butyrylcholinesterase inhibitors. Eur J Med Chem, Volume 145, 2018";ChEMBL
Norfloxacin;MM00768;CCn1cc(C(=O)O)c(=O)c2cc(F)c(N3CCNCC3)cc21;OGJPXUAPXNRGGI-UHFFFAOYSA-N;319.34;1.27;4539;DB01059;;CHEMBL9;PL-A;EPAM;25;0;"<a href=https://www.ebi.ac.uk/chembl/assay_report_card/CHEMBL4255026/  target=_blank>CHEMBL4255026</a>";;;;;;;;;-7;;;;;;;;;;;;"Chierrito TPC, Pedersoli-Mantoani S, Roca C, Sebastian-Pérez V, Martínez-Gonzalez L, Pérez DI, Perez C, Canales A, Cañada FJ, Campillo NE, Carvalho I, Martinez A, Martinez A.: Chameleon-like behavior of indolylpiperidines in complex with cholinesterases targets: Potent butyrylcholinesterase inhibitors. Eur J Med Chem, Volume 145, 2018";ChEMBL
N-(4-Chloro-2,5-dimethoxyphenyl)-5-cyclopropyl-1,2-oxazole-3-carboxamide;MM01219;COc1cc(NC(=O)c2cc(C3CC3)on2)c(OC)cc1Cl;FMWABCRYNLCXOJ-UHFFFAOYSA-N;322.75;3.47;6619100;;;;GIT-0;EPAM;25;;"pH = 7.4, <a href=https://pubchem.ncbi.nlm.nih.gov/bioassay/624339  target=_blank>624339</a>";;;;;;;;;-3.14;;;;;;;;;;;;"AID 624339 - Parallel artificial membrane permeability assay at pH 7.4 - PubChem";"Parallel artificial membrane permeability assay at pH 7.4. National Center for Biotechnology Information. PubChem BioAssay Database; AID=624339, https://pubchem.ncbi.nlm.nih.gov/bioassay/624339"
2-(4,6-Dimethylpyrimidin-2-yl)-4-(4-fluorophenyl)sulfanyl-5-methylpyrazol-3-amine;MM01193;Cc1cc(C)nc(-n2nc(C)c(Sc3ccc(F)cc3)c2N)n1;UHKSHIBWGZYKCL-UHFFFAOYSA-N;329.4;3.46;2321431;;;;GIT-0;EPAM;25;;"pH = 7.4, <a href=https://pubchem.ncbi.nlm.nih.gov/bioassay/624339  target=_blank>624339</a>";;;;;;;;;-2.99;;;;;;;;;;;;"AID 624339 - Parallel artificial membrane permeability assay at pH 7.4 - PubChem";"Parallel artificial membrane permeability assay at pH 7.4. National Center for Biotechnology Information. PubChem BioAssay Database; AID=624339, https://pubchem.ncbi.nlm.nih.gov/bioassay/624339"
"1-(4-Methoxyphenyl)-N-(naphthalen-1-ylmethyl)methanamine;oxalic Acid";MM01256;COc1ccc(CNCc2cccc3ccccc23)cc1.O=C(O)C(=O)O;GIFYKGIODMXYNT-UHFFFAOYSA-N;277.37;4.14;17367817;;;;GIT-0;EPAM;25;;"pH = 7.4, <a href=https://pubchem.ncbi.nlm.nih.gov/bioassay/624339  target=_blank>624339</a>";;;;;;;;;-2.95;;;;;;;;;;;;"AID 624339 - Parallel artificial membrane permeability assay at pH 7.4 - PubChem";"Parallel artificial membrane permeability assay at pH 7.4. National Center for Biotechnology Information. PubChem BioAssay Database; AID=624339, https://pubchem.ncbi.nlm.nih.gov/bioassay/624339"
(E)-2-(1H-Benzimidazol-2-yl)-3-(5-nitrofuran-2-yl)prop-2-enenitrile;MM01231;"N#C/C(=C\c1ccc([N+](=O)[O-])o1)c1nc2ccccc2[nH]1";LISLUXJODLGWGJ-UHFFFAOYSA-N;280.24;3.13;5904441;;;;GIT-0;EPAM;25;;"pH = 7.4, <a href=https://pubchem.ncbi.nlm.nih.gov/bioassay/624339  target=_blank>624339</a>";;;;;;;;;-3.84;;;;;;;;;;;;"AID 624339 - Parallel artificial membrane permeability assay at pH 7.4 - PubChem";"Parallel artificial membrane permeability assay at pH 7.4. National Center for Biotechnology Information. PubChem BioAssay Database; AID=624339, https://pubchem.ncbi.nlm.nih.gov/bioassay/624339"
"[2-(Furan-2-ylmethylamino)-2-oxoethyl] Adamantane-1-carboxylate";MM01265;O=C(COC(=O)C12CC3CC(CC(C3)C1)C2)NCc1ccco1;MOSOSUPDUHNNDQ-UHFFFAOYSA-N;317.39;2.66;2998659;;;;GIT-0;EPAM;25;;"pH = 7.4, <a href=https://pubchem.ncbi.nlm.nih.gov/bioassay/624339  target=_blank>624339</a>";;;;;;;;;-3.71;;;;;;;;;;;;"AID 624339 - Parallel artificial membrane permeability assay at pH 7.4 - PubChem";"Parallel artificial membrane permeability assay at pH 7.4. National Center for Biotechnology Information. PubChem BioAssay Database; AID=624339, https://pubchem.ncbi.nlm.nih.gov/bioassay/624339"
"Cyclohexyl Cyano[3-(4-ethylpiperazin-1-yl)quinoxalin-2-yl]acetate";MM01189;CCN1CCN(c2nc3ccccc3nc2C(C#N)C(=O)OC2CCCCC2)CC1;KKTOITAISCXMHG-UHFFFAOYSA-N;407.52;3.25;663281;;;;GIT-0;EPAM;25;;"pH = 7.4, <a href=https://pubchem.ncbi.nlm.nih.gov/bioassay/624339  target=_blank>624339</a>";;;;;;;;;-2.67;;;;;;;;;;;;"AID 624339 - Parallel artificial membrane permeability assay at pH 7.4 - PubChem";"Parallel artificial membrane permeability assay at pH 7.4. National Center for Biotechnology Information. PubChem BioAssay Database; AID=624339, https://pubchem.ncbi.nlm.nih.gov/bioassay/624339"
N-(3,4-Dimethylphenyl)-2-oxo-3,4-dihydro-1H-quinoline-6-sulfonamide;MM01237;Cc1ccc(NS(=O)(=O)c2ccc3c(c2)CCC(=O)N3)cc1C;SNFROMRRGGKYTF-UHFFFAOYSA-N;330.41;2.99;4547230;;;CHEMBL1509101;GIT-0;EPAM;25;;"pH = 7.4, <a href=https://pubchem.ncbi.nlm.nih.gov/bioassay/624339  target=_blank>624339</a>";;;;;;;;;-3.21;;;;;;;;;;;;"AID 624339 - Parallel artificial membrane permeability assay at pH 7.4 - PubChem";"Parallel artificial membrane permeability assay at pH 7.4. National Center for Biotechnology Information. PubChem BioAssay Database; AID=624339, https://pubchem.ncbi.nlm.nih.gov/bioassay/624339"
2-phenyl-1,2-benzoselenazol-3-one;MM495743;O=c1c2ccccc2[se]n1-c1ccccc1;DYEFUKCXAQOFHX-UHFFFAOYSA-N;274.18;2.05;3194;;;;GIT-0;EPAM;25;;"pH = 7.4, <a href=https://pubchem.ncbi.nlm.nih.gov/bioassay/624339  target=_blank>624339</a>";;;;;;;;;-3.35;;;;;;;;;;;;"AID 624339 - Parallel artificial membrane permeability assay at pH 7.4 - PubChem";"Parallel artificial membrane permeability assay at pH 7.4. National Center for Biotechnology Information. PubChem BioAssay Database; AID=624339, https://pubchem.ncbi.nlm.nih.gov/bioassay/624339"
"Emetine Hydrochloride";MM01186;CC[C@H]1CN2CCc3cc(OC)c(OC)cc3[C@@H]2C[C@@H]1C[C@H]1NCCc2cc(OC)c(OC)cc21.Cl;HUEYSSLYFJVUIS-UHFFFAOYSA-N;517.11;5.37;6603320;;;;GIT-0;EPAM;25;;"pH = 7.4, <a href=https://pubchem.ncbi.nlm.nih.gov/bioassay/624339  target=_blank>624339</a>";;;;;;;;;-2.99;;;;;;;;;;;;"AID 624339 - Parallel artificial membrane permeability assay at pH 7.4 - PubChem";"Parallel artificial membrane permeability assay at pH 7.4. National Center for Biotechnology Information. PubChem BioAssay Database; AID=624339, https://pubchem.ncbi.nlm.nih.gov/bioassay/624339"
3,5-dimethyl-1,3,5-thiadiazinane-2-thione;MM01214;CN1CSC(=S)N(C)C1;QAYICIQNSGETAS-UHFFFAOYSA-N;162.28;0.8;10788;;;;GIT-0;EPAM;25;;"pH = 7.4, <a href=https://pubchem.ncbi.nlm.nih.gov/bioassay/624339  target=_blank>624339</a>";;;;;;;;;-4.74;;;;;;;;;;;;"AID 624339 - Parallel artificial membrane permeability assay at pH 7.4 - PubChem";"Parallel artificial membrane permeability assay at pH 7.4. National Center for Biotechnology Information. PubChem BioAssay Database; AID=624339, https://pubchem.ncbi.nlm.nih.gov/bioassay/624339"
3-[[2-(3,5-dimethyl-1-pyrazolyl)-5,6,7,8-tetrahydro-[1]benzothiolo[2,3-d]pyrimidin-4-yl]amino]-1-propanol;MM01267;Cc1cc(C)n(-c2nc(NCCCO)c3c4c(sc3n2)CCCC4)n1;WEAXENWHNHWGBP-UHFFFAOYSA-N;357.48;3.17;665518;;;;GIT-0;EPAM;25;;"pH = 7.4, <a href=https://pubchem.ncbi.nlm.nih.gov/bioassay/624339  target=_blank>624339</a>";;;;;;;;;-2.95;;;;;;;;;;;;"AID 624339 - Parallel artificial membrane permeability assay at pH 7.4 - PubChem";"Parallel artificial membrane permeability assay at pH 7.4. National Center for Biotechnology Information. PubChem BioAssay Database; AID=624339, https://pubchem.ncbi.nlm.nih.gov/bioassay/624339"
Azathioprine;MM17112;Cn1cnc([N+](=O)[O-])c1Sc1ncnc2nc[nH]c12;LMEKQMALGUDUQG-UHFFFAOYSA-N;277.27;1.15;2265;;;;GIT-0;EPAM;25;;"pH = 7.4, <a href=https://pubchem.ncbi.nlm.nih.gov/bioassay/624339  target=_blank>624339</a>";;;;;;;;;-5.52;;;;;;;;;;;;"AID 624339 - Parallel artificial membrane permeability assay at pH 7.4 - PubChem";"Parallel artificial membrane permeability assay at pH 7.4. National Center for Biotechnology Information. PubChem BioAssay Database; AID=624339, https://pubchem.ncbi.nlm.nih.gov/bioassay/624339"
"2-[(2-Bromophenyl)methoxy]benzoic Acid";MM01249;O=C(O)c1ccccc1OCc1ccccc1Br;IYPKPTAZUPMKGH-UHFFFAOYSA-N;307.14;3.73;2160985;;;;GIT-0;EPAM;25;;"pH = 7.4, <a href=https://pubchem.ncbi.nlm.nih.gov/bioassay/624339  target=_blank>624339</a>";;;;;;;;;-4.66;;;;;;;;;;;;"AID 624339 - Parallel artificial membrane permeability assay at pH 7.4 - PubChem";"Parallel artificial membrane permeability assay at pH 7.4. National Center for Biotechnology Information. PubChem BioAssay Database; AID=624339, https://pubchem.ncbi.nlm.nih.gov/bioassay/624339"
4-[(E)-2-(3,5-dihydroxyphenyl)ethenyl]benzene-1,2-diol;MM495744;Oc1cc(O)cc(/C=C/c2ccc(O)c(O)c2)c1;CDRPUGZCRXZLFL-OWOJBTEDSA-N;244.25;2.68;667639;;;;GIT-0;EPAM;25;;"pH = 7.4, <a href=https://pubchem.ncbi.nlm.nih.gov/bioassay/624339  target=_blank>624339</a>";;;;;;;;;-5.92;;;;;;;;;;;;"AID 624339 - Parallel artificial membrane permeability assay at pH 7.4 - PubChem";"Parallel artificial membrane permeability assay at pH 7.4. National Center for Biotechnology Information. PubChem BioAssay Database; AID=624339, https://pubchem.ncbi.nlm.nih.gov/bioassay/624339"
7,13-Bis[(4-nitrophenyl)methyl]-1,4,10-trioxa-7,13-diazacyclopentadecane;MM01230;O=[N+]([O-])c1ccc(CN2CCOCCOCCN(Cc3ccc([N+](=O)[O-])cc3)CCOCC2)cc1;UKMHVECLTZDSBD-UHFFFAOYSA-N;488.54;2.87;4536383;;;;GIT-0;EPAM;25;;"pH = 7.4, <a href=https://pubchem.ncbi.nlm.nih.gov/bioassay/624339  target=_blank>624339</a>";;;;;;;;;-2.97;;;;;;;;;;;;"AID 624339 - Parallel artificial membrane permeability assay at pH 7.4 - PubChem";"Parallel artificial membrane permeability assay at pH 7.4. National Center for Biotechnology Information. PubChem BioAssay Database; AID=624339, https://pubchem.ncbi.nlm.nih.gov/bioassay/624339"
Carbazol-9-yl-(4-methylphenyl)methanone;MM01218;Cc1ccc(C(=O)n2c3ccccc3c3ccccc32)cc1;AWZNVFKAFFHLEY-UHFFFAOYSA-N;285.35;4.79;576989;;;;GIT-0;EPAM;25;;"pH = 7.4, <a href=https://pubchem.ncbi.nlm.nih.gov/bioassay/624339  target=_blank>624339</a>";;;;;;;;;-3.45;;;;;;;;;;;;"AID 624339 - Parallel artificial membrane permeability assay at pH 7.4 - PubChem";"Parallel artificial membrane permeability assay at pH 7.4. National Center for Biotechnology Information. PubChem BioAssay Database; AID=624339, https://pubchem.ncbi.nlm.nih.gov/bioassay/624339"
"5H-Quinolino[8,7-c][1,2]benzothiazine 6,6-dioxide";MM01188;O=S1(=O)Nc2c(ccc3cccnc23)-c2ccccc21;CYSOFAOLQAYKGU-UHFFFAOYSA-N;282.32;3.02;659101;;;;GIT-0;EPAM;25;;"pH = 7.4, <a href=https://pubchem.ncbi.nlm.nih.gov/bioassay/624339  target=_blank>624339</a>";;;;;;;;;-4.12;;;;;;;;;;;;"AID 624339 - Parallel artificial membrane permeability assay at pH 7.4 - PubChem";"Parallel artificial membrane permeability assay at pH 7.4. National Center for Biotechnology Information. PubChem BioAssay Database; AID=624339, https://pubchem.ncbi.nlm.nih.gov/bioassay/624339"
4-(5,6-Diphenyl-1,2,4-triazin-3-yl)morpholine;MM01215;c1ccc(-c2nnc(N3CCOCC3)nc2-c2ccccc2)cc1;XAYFWWVZSYKDIS-UHFFFAOYSA-N;318.38;3.04;2842253;;;;GIT-0;EPAM;25;;"pH = 7.4, <a href=https://pubchem.ncbi.nlm.nih.gov/bioassay/624339  target=_blank>624339</a>";;;;;;;;;-2.83;;;;;;;;;;;;"AID 624339 - Parallel artificial membrane permeability assay at pH 7.4 - PubChem";"Parallel artificial membrane permeability assay at pH 7.4. National Center for Biotechnology Information. PubChem BioAssay Database; AID=624339, https://pubchem.ncbi.nlm.nih.gov/bioassay/624339"
N-(4-Ethoxyphenyl)-4-[hydroxy(diphenyl)methyl]piperidine-1-carbothioamide;MM01229;CCOc1ccc(NC(=S)N2CCC(C(O)(c3ccccc3)c3ccccc3)CC2)cc1;PMEQBGAGFZDWQX-UHFFFAOYSA-N;446.62;5.43;2936384;;;;GIT-0;EPAM;25;;"pH = 7.4, <a href=https://pubchem.ncbi.nlm.nih.gov/bioassay/624339  target=_blank>624339</a>";;;;;;;;;-3.17;;;;;;;;;;;;"AID 624339 - Parallel artificial membrane permeability assay at pH 7.4 - PubChem";"Parallel artificial membrane permeability assay at pH 7.4. National Center for Biotechnology Information. PubChem BioAssay Database; AID=624339, https://pubchem.ncbi.nlm.nih.gov/bioassay/624339"
2,5-Dimethoxy-N-quinolin-3-ylbenzenesulfonamide;MM01208;COc1ccc(OC)c(S(=O)(=O)Nc2cnc3ccccc3c2)c1;JZSPHTPWUXNQGB-UHFFFAOYSA-N;344.39;3.05;2931238;;;;GIT-0;EPAM;25;;"pH = 7.4, <a href=https://pubchem.ncbi.nlm.nih.gov/bioassay/624339  target=_blank>624339</a>";;;;;;;;;-3.15;;;;;;;;;;;;"AID 624339 - Parallel artificial membrane permeability assay at pH 7.4 - PubChem";"Parallel artificial membrane permeability assay at pH 7.4. National Center for Biotechnology Information. PubChem BioAssay Database; AID=624339, https://pubchem.ncbi.nlm.nih.gov/bioassay/624339"
4-[3-(4-Methoxyphenyl)-5-phenyl-3,4-dihydropyrazol-2-yl]benzenesulfonamide;MM01239;COc1ccc(C2CC(c3ccccc3)=NN2c2ccc(S(N)(=O)=O)cc2)cc1;QBNZBMVRFYREHK-UHFFFAOYSA-N;407.5;3.7;2950007;;;;GIT-0;EPAM;25;;"pH = 7.4, <a href=https://pubchem.ncbi.nlm.nih.gov/bioassay/624339  target=_blank>624339</a>";;;;;;;;;-3.56;;;;;;;;;;;;"AID 624339 - Parallel artificial membrane permeability assay at pH 7.4 - PubChem";"Parallel artificial membrane permeability assay at pH 7.4. National Center for Biotechnology Information. PubChem BioAssay Database; AID=624339, https://pubchem.ncbi.nlm.nih.gov/bioassay/624339"
1-[4-(4-Bromophenyl)-1,3-thiazol-2-yl]piperidine-4-carboxamide;MM01232;NC(=O)C1CCN(c2nc(-c3ccc(Br)cc3)cs2)CC1;YWCKNSAYJDPHQO-UHFFFAOYSA-N;366.28;3.27;990823;;;CHEMBL1375425;GIT-0;EPAM;25;;"pH = 7.4, <a href=https://pubchem.ncbi.nlm.nih.gov/bioassay/624339  target=_blank>624339</a>";;;;;;;;;-3.55;;;;;;;;;;;;"AID 624339 - Parallel artificial membrane permeability assay at pH 7.4 - PubChem";"Parallel artificial membrane permeability assay at pH 7.4. National Center for Biotechnology Information. PubChem BioAssay Database; AID=624339, https://pubchem.ncbi.nlm.nih.gov/bioassay/624339"
1-(2,4-Dimethylphenyl)-4-piperidin-1-ylsulfonylpiperazine;MM01236;Cc1ccc(N2CCN(S(=O)(=O)N3CCCCC3)CC2)c(C)c1;WPBRWZIGDANJAJ-UHFFFAOYSA-N;337.49;2.16;701237;;;;GIT-0;EPAM;25;;"pH = 7.4, <a href=https://pubchem.ncbi.nlm.nih.gov/bioassay/624339  target=_blank>624339</a>";;;;;;;;;-3.58;;;;;;;;;;;;"AID 624339 - Parallel artificial membrane permeability assay at pH 7.4 - PubChem";"Parallel artificial membrane permeability assay at pH 7.4. National Center for Biotechnology Information. PubChem BioAssay Database; AID=624339, https://pubchem.ncbi.nlm.nih.gov/bioassay/624339"
4-(1-Methyl-2-oxoquinolin-4-yl)oxy-N-(4-methylpyridin-2-yl)butanamide;MM01199;Cc1ccnc(NC(=O)CCCOc2cc(=O)n(C)c3ccccc23)c1;KRZBWKRPRKNWHY-UHFFFAOYSA-N;351.41;3.04;3237904;;;;GIT-0;EPAM;25;;"pH = 7.4, <a href=https://pubchem.ncbi.nlm.nih.gov/bioassay/624339  target=_blank>624339</a>";;;;;;;;;-3.29;;;;;;;;;;;;"AID 624339 - Parallel artificial membrane permeability assay at pH 7.4 - PubChem";"Parallel artificial membrane permeability assay at pH 7.4. National Center for Biotechnology Information. PubChem BioAssay Database; AID=624339, https://pubchem.ncbi.nlm.nih.gov/bioassay/624339"
N-[3-Oxo-3-(4-pyridin-2-ylpiperazin-1-yl)propyl]-2,1,3-benzothiadiazole-4-sulfonamide;MM01201;O=C(CCNS(=O)(=O)c1cccc2nsnc12)N1CCN(c2ccccn2)CC1;PAUICUBCWHEEDI-UHFFFAOYSA-N;432.53;1.1;3242997;;;;GIT-0;EPAM;25;;"pH = 7.4, <a href=https://pubchem.ncbi.nlm.nih.gov/bioassay/624339  target=_blank>624339</a>";;;;;;;;;-3.84;;;;;;;;;;;;"AID 624339 - Parallel artificial membrane permeability assay at pH 7.4 - PubChem";"Parallel artificial membrane permeability assay at pH 7.4. National Center for Biotechnology Information. PubChem BioAssay Database; AID=624339, https://pubchem.ncbi.nlm.nih.gov/bioassay/624339"
2-Chloro-N-[3-cyano-4-(4-methoxyphenyl)sulfanylphenyl]benzamide;MM01224;COc1ccc(Sc2ccc(NC(=O)c3ccccc3Cl)cc2C#N)cc1;YZMLAJBOSVHFEW-UHFFFAOYSA-N;394.88;5.62;2769229;;;;GIT-0;EPAM;25;;"pH = 7.4, <a href=https://pubchem.ncbi.nlm.nih.gov/bioassay/624339  target=_blank>624339</a>";;;;;;;;;-3.31;;;;;;;;;;;;"AID 624339 - Parallel artificial membrane permeability assay at pH 7.4 - PubChem";"Parallel artificial membrane permeability assay at pH 7.4. National Center for Biotechnology Information. PubChem BioAssay Database; AID=624339, https://pubchem.ncbi.nlm.nih.gov/bioassay/624339"
N-[Furan-2-yl-(8-hydroxyquinolin-7-yl)methyl]-2-methylpropanamide;MM01212;CC(C)C(=O)NC(c1ccco1)c1ccc2cccnc2c1O;PBZYAPZLINAHET-UHFFFAOYSA-N;310.35;3.4;2876959;;;;GIT-0;EPAM;25;;"pH = 7.4, <a href=https://pubchem.ncbi.nlm.nih.gov/bioassay/624339  target=_blank>624339</a>";;;;;;;;;-3.54;;;;;;;;;;;;"AID 624339 - Parallel artificial membrane permeability assay at pH 7.4 - PubChem";"Parallel artificial membrane permeability assay at pH 7.4. National Center for Biotechnology Information. PubChem BioAssay Database; AID=624339, https://pubchem.ncbi.nlm.nih.gov/bioassay/624339"
(3-Isopropoxyphenyl)(1-((5-methyl-1-propyl-1H-pyrazol-4-yl)methyl)piperidin-3-yl)methanone;MM01240;CCCn1ncc(CN2CCCC(C(=O)c3cccc(OC(C)C)c3)C2)c1C;TXMPMEQLXDHGQS-UHFFFAOYSA-N;383.54;4.48;16190867;;;;GIT-0;EPAM;25;;"pH = 7.4, <a href=https://pubchem.ncbi.nlm.nih.gov/bioassay/624339  target=_blank>624339</a>";;;;;;;;;-2.88;;;;;;;;;;;;"AID 624339 - Parallel artificial membrane permeability assay at pH 7.4 - PubChem";"Parallel artificial membrane permeability assay at pH 7.4. National Center for Biotechnology Information. PubChem BioAssay Database; AID=624339, https://pubchem.ncbi.nlm.nih.gov/bioassay/624339"
N-Naphthalen-1-yl-5-pyridin-4-yl-1,3,4-thiadiazol-2-amine;MM01225;c1ccc2c(Nc3nnc(-c4ccncc4)s3)cccc2c1;FNNACNWDEVQPDH-UHFFFAOYSA-N;304.38;4.5;1090779;;;;GIT-0;EPAM;25;;"pH = 7.4, <a href=https://pubchem.ncbi.nlm.nih.gov/bioassay/624339  target=_blank>624339</a>";;;;;;;;;-3.68;;;;;;;;;;;;"AID 624339 - Parallel artificial membrane permeability assay at pH 7.4 - PubChem";"Parallel artificial membrane permeability assay at pH 7.4. National Center for Biotechnology Information. PubChem BioAssay Database; AID=624339, https://pubchem.ncbi.nlm.nih.gov/bioassay/624339"
"1-[2-(2,5-Dimethylphenoxy)ethyl]-3-indolecarboxylic Acid";MM01246;Cc1ccc(C)c(OCCn2cc(C(=O)O)c3ccccc32)c1;LILIWWFBJKBUCO-UHFFFAOYSA-N;309.37;4.04;7345532;;;;GIT-0;EPAM;25;;"pH = 7.4, <a href=https://pubchem.ncbi.nlm.nih.gov/bioassay/624339  target=_blank>624339</a>";;;;;;;;;-3.59;;;;;;;;;;;;"AID 624339 - Parallel artificial membrane permeability assay at pH 7.4 - PubChem";"Parallel artificial membrane permeability assay at pH 7.4. National Center for Biotechnology Information. PubChem BioAssay Database; AID=624339, https://pubchem.ncbi.nlm.nih.gov/bioassay/624339"
2-(Dichloromethyl)-4-(4-methylphenyl)-6-methylsulfanyl-1,3,5-triazine;MM01223;CSc1nc(-c2ccc(C)cc2)nc(C(Cl)Cl)n1;VRYFPFHGCPTRHR-UHFFFAOYSA-N;300.21;4.05;3380841;;;;GIT-0;EPAM;25;;"pH = 7.4, <a href=https://pubchem.ncbi.nlm.nih.gov/bioassay/624339  target=_blank>624339</a>";;;;;;;;;-3.81;;;;;;;;;;;;"AID 624339 - Parallel artificial membrane permeability assay at pH 7.4 - PubChem";"Parallel artificial membrane permeability assay at pH 7.4. National Center for Biotechnology Information. PubChem BioAssay Database; AID=624339, https://pubchem.ncbi.nlm.nih.gov/bioassay/624339"
2-(5-Phenyl-2H-[1,2,4]triazol-3-yl)-3a,4,7,7a-tetrahydro-isoindole-1,3-dione;MM01217;O=C1C2CC=CCC2C(=O)N1c1n[nH]c(-c2ccccc2)n1;MIQGMTKINBACMG-UHFFFAOYSA-N;294.31;1.93;2946732;;;;GIT-0;EPAM;25;;"pH = 7.4, <a href=https://pubchem.ncbi.nlm.nih.gov/bioassay/624339  target=_blank>624339</a>";;;;;;;;;-4.2;;;;;;;;;;;;"AID 624339 - Parallel artificial membrane permeability assay at pH 7.4 - PubChem";"Parallel artificial membrane permeability assay at pH 7.4. National Center for Biotechnology Information. PubChem BioAssay Database; AID=624339, https://pubchem.ncbi.nlm.nih.gov/bioassay/624339"
5-(3,4-Diethoxyphenyl)-3-pyridin-4-yl-1,2,4-oxadiazole;MM01206;CCOc1ccc(-c2nc(-c3ccncc3)no2)cc1OCC;MMKXHTDCKLZHIM-UHFFFAOYSA-N;311.34;3.6;976135;;;;GIT-0;EPAM;25;;"pH = 7.4, <a href=https://pubchem.ncbi.nlm.nih.gov/bioassay/624339  target=_blank>624339</a>";;;;;;;;;-2.99;;;;;;;;;;;;"AID 624339 - Parallel artificial membrane permeability assay at pH 7.4 - PubChem";"Parallel artificial membrane permeability assay at pH 7.4. National Center for Biotechnology Information. PubChem BioAssay Database; AID=624339, https://pubchem.ncbi.nlm.nih.gov/bioassay/624339"
2-[(4-chlorophenyl)methylsulfanyl]-3,5,6,7-tetrahydrocyclopenta[d]pyrimidin-4-one;MM495745;O=c1[nH]c(SCc2ccc(Cl)cc2)nc2c1CCC2;HKDAECHYHSQLRG-UHFFFAOYSA-N;292.79;3.2;135412054;;;;GIT-0;EPAM;25;;"pH = 7.4, <a href=https://pubchem.ncbi.nlm.nih.gov/bioassay/624339  target=_blank>624339</a>";;;;;;;;;-3.2;;;;;;;;;;;;"AID 624339 - Parallel artificial membrane permeability assay at pH 7.4 - PubChem";"Parallel artificial membrane permeability assay at pH 7.4. National Center for Biotechnology Information. PubChem BioAssay Database; AID=624339, https://pubchem.ncbi.nlm.nih.gov/bioassay/624339"
Myricetin;MM17247;O=c1c(O)c(-c2cc(O)c(O)c(O)c2)oc2cc(O)cc(O)c12;IKMDFBPHZNJCSN-UHFFFAOYSA-N;318.24;1.69;5281672;;;;GIT-0;EPAM;25;;"pH = 7.4, <a href=https://pubchem.ncbi.nlm.nih.gov/bioassay/624339  target=_blank>624339</a>";;;;;;;;;-5.77;;;;;;;;;;;;"AID 624339 - Parallel artificial membrane permeability assay at pH 7.4 - PubChem";"Parallel artificial membrane permeability assay at pH 7.4. National Center for Biotechnology Information. PubChem BioAssay Database; AID=624339, https://pubchem.ncbi.nlm.nih.gov/bioassay/624339"
N-(3,4-Dimethylphenyl)-N'-[(E)-(5-nitrofuran-2-yl)methylideneamino]butanediamide;MM01251;Cc1ccc(NC(=O)CCC(=O)N/N=C/c2ccc([N+](=O)[O-])o2)cc1C;UKQWTRJZFLXIQL-UHFFFAOYSA-N;358.35;2.67;6875690;;;;GIT-0;EPAM;25;;"pH = 7.4, <a href=https://pubchem.ncbi.nlm.nih.gov/bioassay/624339  target=_blank>624339</a>";;;;;;;;;-4.43;;;;;;;;;;;;"AID 624339 - Parallel artificial membrane permeability assay at pH 7.4 - PubChem";"Parallel artificial membrane permeability assay at pH 7.4. National Center for Biotechnology Information. PubChem BioAssay Database; AID=624339, https://pubchem.ncbi.nlm.nih.gov/bioassay/624339"
3-Chloro-1-(3,4-dichlorophenyl)-4-(dimethylamino)pyrrole-2,5-dione;MM01242;CN(C)C1=C(Cl)C(=O)N(c2ccc(Cl)c(Cl)c2)C1=O;UJVSRUOVYSHYAG-UHFFFAOYSA-N;319.58;2.88;779754;;;;GIT-0;EPAM;25;;"pH = 7.4, <a href=https://pubchem.ncbi.nlm.nih.gov/bioassay/624339  target=_blank>624339</a>";;;;;;;;;-3.42;;;;;;;;;;;;"AID 624339 - Parallel artificial membrane permeability assay at pH 7.4 - PubChem";"Parallel artificial membrane permeability assay at pH 7.4. National Center for Biotechnology Information. PubChem BioAssay Database; AID=624339, https://pubchem.ncbi.nlm.nih.gov/bioassay/624339"
1-[(4-Chlorophenyl)methyl]-4-[4-(2-methylphenyl)piperazin-1-yl]pyrazolo[3,4-d]pyrimidine;MM01259;Cc1ccccc1N1CCN(c2ncnc3c2cnn3Cc2ccc(Cl)cc2)CC1;ODKPRIUYEYROGE-UHFFFAOYSA-N;418.93;4.16;1542103;;;;GIT-0;EPAM;25;;"pH = 7.4, <a href=https://pubchem.ncbi.nlm.nih.gov/bioassay/624339  target=_blank>624339</a>";;;;;;;;;-2.96;;;;;;;;;;;;"AID 624339 - Parallel artificial membrane permeability assay at pH 7.4 - PubChem";"Parallel artificial membrane permeability assay at pH 7.4. National Center for Biotechnology Information. PubChem BioAssay Database; AID=624339, https://pubchem.ncbi.nlm.nih.gov/bioassay/624339"
N-[2-(1H-Benzimidazol-2-yl)ethyl]-2-(2-bromophenoxy)acetamide;MM01234;O=C(COc1ccccc1Br)NCCc1nc2ccccc2[nH]1;XWFRNTHGPRGCNS-UHFFFAOYSA-N;374.24;3.06;1183113;;;;GIT-0;EPAM;25;;"pH = 7.4, <a href=https://pubchem.ncbi.nlm.nih.gov/bioassay/624339  target=_blank>624339</a>";;;;;;;;;-3.1;;;;;;;;;;;;"AID 624339 - Parallel artificial membrane permeability assay at pH 7.4 - PubChem";"Parallel artificial membrane permeability assay at pH 7.4. National Center for Biotechnology Information. PubChem BioAssay Database; AID=624339, https://pubchem.ncbi.nlm.nih.gov/bioassay/624339"
2-Amino-1-(4-methylphenyl)-6-oxo-4-phenylpyridine-3,5-dicarbonitrile;MM01222;Cc1ccc(-n2c(N)c(C#N)c(-c3ccccc3)c(C#N)c2=O)cc1;DWDWEGGEKMILES-UHFFFAOYSA-N;326.36;3.14;824820;;;;GIT-0;EPAM;25;;"pH = 7.4, <a href=https://pubchem.ncbi.nlm.nih.gov/bioassay/624339  target=_blank>624339</a>";;;;;;;;;-4.17;;;;;;;;;;;;"AID 624339 - Parallel artificial membrane permeability assay at pH 7.4 - PubChem";"Parallel artificial membrane permeability assay at pH 7.4. National Center for Biotechnology Information. PubChem BioAssay Database; AID=624339, https://pubchem.ncbi.nlm.nih.gov/bioassay/624339"
3-(2,5-dimethoxyphenyl)-6-(3,4-dimethoxyphenyl)-7H-[1,2,4]triazolo[3,4-b][1,3,4]thiadiazine;MM01263;COc1ccc(OC)c(-c2nnc3n2N=C(c2ccc(OC)c(OC)c2)CS3)c1;DZAUSKKPHXFGNN-UHFFFAOYSA-N;412.47;3.34;17757146;;;;GIT-0;EPAM;25;;"pH = 7.4, <a href=https://pubchem.ncbi.nlm.nih.gov/bioassay/624339  target=_blank>624339</a>";;;;;;;;;-3.23;;;;;;;;;;;;"AID 624339 - Parallel artificial membrane permeability assay at pH 7.4 - PubChem";"Parallel artificial membrane permeability assay at pH 7.4. National Center for Biotechnology Information. PubChem BioAssay Database; AID=624339, https://pubchem.ncbi.nlm.nih.gov/bioassay/624339"
"12-(3,4-Dimethoxy-phenyl)-10-(2-morpholin-4-yl-ethyl)-10,12-dihydro-7-oxa-8,10-diaza-benzo[a]anthra Cen-11-ylideneamine";MM01220;COc1ccc(C2c3c(ncn(CCN4CCOCC4)c3=N)Oc3ccc4ccccc4c32)cc1OC;HTAQOIIMDZRODK-UHFFFAOYSA-N;498.58;4.15;3719993;;;;GIT-0;EPAM;25;;"pH = 7.4, <a href=https://pubchem.ncbi.nlm.nih.gov/bioassay/624339  target=_blank>624339</a>";;;;;;;;;-2.84;;;;;;;;;;;;"AID 624339 - Parallel artificial membrane permeability assay at pH 7.4 - PubChem";"Parallel artificial membrane permeability assay at pH 7.4. National Center for Biotechnology Information. PubChem BioAssay Database; AID=624339, https://pubchem.ncbi.nlm.nih.gov/bioassay/624339"
7-Bromo-1,2,3,9-tetrahydropyrrolo[2,1-b]quinazoline;MM01257;Brc1ccc2c(c1)CN1CCCC1=N2;IXRIYMMZXPUXNJ-UHFFFAOYSA-N;251.13;3.09;928277;;;;GIT-0;EPAM;25;;"pH = 7.4, <a href=https://pubchem.ncbi.nlm.nih.gov/bioassay/624339  target=_blank>624339</a>";;;;;;;;;-3.1;;;;;;;;;;;;"AID 624339 - Parallel artificial membrane permeability assay at pH 7.4 - PubChem";"Parallel artificial membrane permeability assay at pH 7.4. National Center for Biotechnology Information. PubChem BioAssay Database; AID=624339, https://pubchem.ncbi.nlm.nih.gov/bioassay/624339"
4-(1-Methyltetrazol-5-yl)sulfanyl-5-phenylthieno[2,3-d]pyrimidine;MM01194;Cn1nnnc1Sc1ncnc2scc(-c3ccccc3)c12;HIPMWEIBNDUPSH-UHFFFAOYSA-N;326.41;3.03;2432214;;;;GIT-0;EPAM;25;;"pH = 7.4, <a href=https://pubchem.ncbi.nlm.nih.gov/bioassay/624339  target=_blank>624339</a>";;;;;;;;;-3.01;;;;;;;;;;;;"AID 624339 - Parallel artificial membrane permeability assay at pH 7.4 - PubChem";"Parallel artificial membrane permeability assay at pH 7.4. National Center for Biotechnology Information. PubChem BioAssay Database; AID=624339, https://pubchem.ncbi.nlm.nih.gov/bioassay/624339"
Benzbromarone;MM16894;CCc1oc2ccccc2c1C(=O)c1cc(Br)c(O)c(Br)c1;WHQCHUCQKNIQEC-UHFFFAOYSA-N;424.09;5.46;2333;;;;GIT-0;EPAM;25;;"pH = 7.4, <a href=https://pubchem.ncbi.nlm.nih.gov/bioassay/624339  target=_blank>624339</a>";;;;;;;;;-4.15;;;;;;;;;;;;"AID 624339 - Parallel artificial membrane permeability assay at pH 7.4 - PubChem";"Parallel artificial membrane permeability assay at pH 7.4. National Center for Biotechnology Information. PubChem BioAssay Database; AID=624339, https://pubchem.ncbi.nlm.nih.gov/bioassay/624339"
7-[(E)-But-2-enyl]-3-methyl-8-(3-phenylpropylsulfanyl)purine-2,6-dione;MM01211;C/C=C/Cn1c(SCCCc2ccccc2)nc2c1c(=O)[nH]c(=O)n2C;MGHRGGHCCMMDND-UHFFFAOYSA-N;370.48;2.72;5310346;;;;GIT-0;EPAM;25;;"pH = 7.4, <a href=https://pubchem.ncbi.nlm.nih.gov/bioassay/624339  target=_blank>624339</a>";;;;;;;;;-2.87;;;;;;;;;;;;"AID 624339 - Parallel artificial membrane permeability assay at pH 7.4 - PubChem";"Parallel artificial membrane permeability assay at pH 7.4. National Center for Biotechnology Information. PubChem BioAssay Database; AID=624339, https://pubchem.ncbi.nlm.nih.gov/bioassay/624339"
2-N,2-N-Dimethyl-6-[(1-naphthalen-1-yltetrazol-5-yl)sulfanylmethyl]-1,3,5-triazine-2,4-diamine;MM01264;CN(C)c1nc(N)nc(CSc2nnnn2-c2cccc3ccccc23)n1;KEGAOGGMAQQKFO-UHFFFAOYSA-N;379.45;1.94;1517919;;;;GIT-0;EPAM;25;;"pH = 7.4, <a href=https://pubchem.ncbi.nlm.nih.gov/bioassay/624339  target=_blank>624339</a>";;;;;;;;;-3.57;;;;;;;;;;;;"AID 624339 - Parallel artificial membrane permeability assay at pH 7.4 - PubChem";"Parallel artificial membrane permeability assay at pH 7.4. National Center for Biotechnology Information. PubChem BioAssay Database; AID=624339, https://pubchem.ncbi.nlm.nih.gov/bioassay/624339"
N,N-Dicyclohexyl-5-propyl-1,2-oxazole-3-carboxamide;MM01210;CCCc1cc(C(=O)N(C2CCCCC2)C2CCCCC2)no1;XTUSMJNHGPASSE-UHFFFAOYSA-N;318.46;4.73;5309153;;;;GIT-0;EPAM;25;;"pH = 7.4, <a href=https://pubchem.ncbi.nlm.nih.gov/bioassay/624339  target=_blank>624339</a>";;;;;;;;;-8;;;;;;;;;;;;"AID 624339 - Parallel artificial membrane permeability assay at pH 7.4 - PubChem";"Parallel artificial membrane permeability assay at pH 7.4. National Center for Biotechnology Information. PubChem BioAssay Database; AID=624339, https://pubchem.ncbi.nlm.nih.gov/bioassay/624339"
2-[(4-methoxyphenyl)methylsulfanyl]-4-methyl-1H-pyrimidin-6-one;MM495746;COc1ccc(CSc2nc(C)cc(=O)[nH]2)cc1;XMFWHLZTTUUQHL-UHFFFAOYSA-N;262.33;2.38;135438809;;;;GIT-0;EPAM;25;;"pH = 7.4, <a href=https://pubchem.ncbi.nlm.nih.gov/bioassay/624339  target=_blank>624339</a>";;;;;;;;;-3.78;;;;;;;;;;;;"AID 624339 - Parallel artificial membrane permeability assay at pH 7.4 - PubChem";"Parallel artificial membrane permeability assay at pH 7.4. National Center for Biotechnology Information. PubChem BioAssay Database; AID=624339, https://pubchem.ncbi.nlm.nih.gov/bioassay/624339"
4-(6-Bromo-1,3-benzodioxol-5-yl)-3a,4,5,9b-tetrahydro-3H-cyclopenta[c]quinoline;MM01228;Brc1cc2c(cc1C1Nc3ccccc3C3C=CCC31)OCO2;YOLTZIVRJAPVPH-UHFFFAOYSA-N;370.25;5;3136844;;;;GIT-0;EPAM;25;;"pH = 7.4, <a href=https://pubchem.ncbi.nlm.nih.gov/bioassay/624339  target=_blank>624339</a>";;;;;;;;;-4.43;;;;;;;;;;;;"AID 624339 - Parallel artificial membrane permeability assay at pH 7.4 - PubChem";"Parallel artificial membrane permeability assay at pH 7.4. National Center for Biotechnology Information. PubChem BioAssay Database; AID=624339, https://pubchem.ncbi.nlm.nih.gov/bioassay/624339"
5-[[4-(4-acetylphenyl)-1-piperazinyl]sulfonyl]-1,3-dihydroindol-2-one;MM01258;CC(=O)c1ccc(N2CCN(S(=O)(=O)c3ccc4c(c3)CC(=O)N4)CC2)cc1;IOWHNNUEAIMNRP-UHFFFAOYSA-N;399.47;1.89;20969430;;;CHEMBL1603014;GIT-0;EPAM;25;;"pH = 7.4, <a href=https://pubchem.ncbi.nlm.nih.gov/bioassay/624339  target=_blank>624339</a>";;;;;;;;;-3.71;;;;;;;;;;;;"AID 624339 - Parallel artificial membrane permeability assay at pH 7.4 - PubChem";"Parallel artificial membrane permeability assay at pH 7.4. National Center for Biotechnology Information. PubChem BioAssay Database; AID=624339, https://pubchem.ncbi.nlm.nih.gov/bioassay/624339"
"[5-Amino-1-(4-methoxyphenyl)sulfonylpyrazol-3-yl] Benzoate";MM01184;COc1ccc(S(=O)(=O)n2nc(OC(=O)c3ccccc3)cc2N)cc1;FQICFDBMQBCJDT-UHFFFAOYSA-N;373.39;1.93;655490;;;;GIT-0;EPAM;25;;"pH = 7.4, <a href=https://pubchem.ncbi.nlm.nih.gov/bioassay/624339  target=_blank>624339</a>";;;;;;;;;-3.34;;;;;;;;;;;;"AID 624339 - Parallel artificial membrane permeability assay at pH 7.4 - PubChem";"Parallel artificial membrane permeability assay at pH 7.4. National Center for Biotechnology Information. PubChem BioAssay Database; AID=624339, https://pubchem.ncbi.nlm.nih.gov/bioassay/624339"
4-Benzenesulfonamido-N-(5-ethyl-1,3,4-thiadiazol-2-yl)benzamide;MM01209;CCc1nnc(NC(=O)c2ccc(NS(=O)(=O)c3ccccc3)cc2)s1;YMGXUJCEBOCIIT-UHFFFAOYSA-N;388.47;3.15;2210290;;;;GIT-0;EPAM;25;;"pH = 7.4, <a href=https://pubchem.ncbi.nlm.nih.gov/bioassay/624339  target=_blank>624339</a>";;;;;;;;;-3.79;;;;;;;;;;;;"AID 624339 - Parallel artificial membrane permeability assay at pH 7.4 - PubChem";"Parallel artificial membrane permeability assay at pH 7.4. National Center for Biotechnology Information. PubChem BioAssay Database; AID=624339, https://pubchem.ncbi.nlm.nih.gov/bioassay/624339"
7-Hydroxy-2,3,4,5-tetrahydro-[1]benzofuro[2,3-c]azepin-1-one;MM01198;O=C1NCCCc2c1oc1ccc(O)cc21;AACFPJSJOWQNBN-UHFFFAOYSA-N;217.22;1.81;755673;;;;GIT-0;EPAM;25;;"pH = 7.4, <a href=https://pubchem.ncbi.nlm.nih.gov/bioassay/624339  target=_blank>624339</a>";;;;;;;;;-4.89;;;;;;;;;;;;"AID 624339 - Parallel artificial membrane permeability assay at pH 7.4 - PubChem";"Parallel artificial membrane permeability assay at pH 7.4. National Center for Biotechnology Information. PubChem BioAssay Database; AID=624339, https://pubchem.ncbi.nlm.nih.gov/bioassay/624339"
1-(3,4-Dihydroxyphenyl)-2-[[5-(2-methoxyphenyl)-4-prop-2-enyl-1,2,4-triazol-3-yl]sulfanyl]ethanone;MM01192;C=CCn1c(SCC(=O)c2ccc(O)c(O)c2)nnc1-c1ccccc1OC;HDLQKEKTQTTWGA-UHFFFAOYSA-N;397.46;3.53;665093;;;;GIT-0;EPAM;25;;"pH = 7.4, <a href=https://pubchem.ncbi.nlm.nih.gov/bioassay/624339  target=_blank>624339</a>";;;;;;;;;-4.06;;;;;;;;;;;;"AID 624339 - Parallel artificial membrane permeability assay at pH 7.4 - PubChem";"Parallel artificial membrane permeability assay at pH 7.4. National Center for Biotechnology Information. PubChem BioAssay Database; AID=624339, https://pubchem.ncbi.nlm.nih.gov/bioassay/624339"
2'-(1,3-benzoxazol-2-ylamino)-7',8'-dihydro-1'H-spiro[cyclopentane-1,4'-quinazolin]-5'(6'H)-one;MM01191;O=C1CCCC2=C1C1(CCCC1)N=C(Nc1nc3ccccc3o1)N2;FDNVTCDQGOVLPM-UHFFFAOYSA-N;336.4;3.52;664331;;;;GIT-0;EPAM;25;;"pH = 7.4, <a href=https://pubchem.ncbi.nlm.nih.gov/bioassay/624339  target=_blank>624339</a>";;;;;;;;;-3.36;;;;;;;;;;;;"AID 624339 - Parallel artificial membrane permeability assay at pH 7.4 - PubChem";"Parallel artificial membrane permeability assay at pH 7.4. National Center for Biotechnology Information. PubChem BioAssay Database; AID=624339, https://pubchem.ncbi.nlm.nih.gov/bioassay/624339"
4-Methoxy-2-(4-propoxyphenyl)quinazoline;MM01221;CCCOc1ccc(-c2nc(OC)c3ccccc3n2)cc1;YWKHKRITRQRVIW-UHFFFAOYSA-N;294.35;4.09;1612038;;;;GIT-0;EPAM;25;;"pH = 7.4, <a href=https://pubchem.ncbi.nlm.nih.gov/bioassay/624339  target=_blank>624339</a>";;;;;;;;;-4.59;;;;;;;;;;;;"AID 624339 - Parallel artificial membrane permeability assay at pH 7.4 - PubChem";"Parallel artificial membrane permeability assay at pH 7.4. National Center for Biotechnology Information. PubChem BioAssay Database; AID=624339, https://pubchem.ncbi.nlm.nih.gov/bioassay/624339"
1-Pyrrolidin-1-yl-2-quinolin-8-ylsulfanylethanone;MM01207;O=C(CSc1cccc2cccnc12)N1CCCC1;RQGNWRSISVFFMW-UHFFFAOYSA-N;272.37;2.95;975656;;;;GIT-0;EPAM;25;;"pH = 7.4, <a href=https://pubchem.ncbi.nlm.nih.gov/bioassay/624339  target=_blank>624339</a>";;;;;;;;;-4;;;;;;;;;;;;"AID 624339 - Parallel artificial membrane permeability assay at pH 7.4 - PubChem";"Parallel artificial membrane permeability assay at pH 7.4. National Center for Biotechnology Information. PubChem BioAssay Database; AID=624339, https://pubchem.ncbi.nlm.nih.gov/bioassay/624339"
"Ethyl 2-[[2-[2-[(2,3-Dihydro-1,4-benzodioxin-6-yl)amino]-2-oxoethyl]-1,2-dihydro-1-oxo-5-isoquinolinyl]oxy]propanoate";MM01260;CCOC(=O)C(C)Oc1cccc2c(=O)n(CC(=O)Nc3ccc4c(c3)OCCO4)ccc12;KWMBIIQCLUIHDI-UHFFFAOYSA-N;452.46;2.74;4076092;;;;GIT-0;EPAM;25;;"pH = 7.4, <a href=https://pubchem.ncbi.nlm.nih.gov/bioassay/624339  target=_blank>624339</a>";;;;;;;;;-3.36;;;;;;;;;;;;"AID 624339 - Parallel artificial membrane permeability assay at pH 7.4 - PubChem";"Parallel artificial membrane permeability assay at pH 7.4. National Center for Biotechnology Information. PubChem BioAssay Database; AID=624339, https://pubchem.ncbi.nlm.nih.gov/bioassay/624339"
2-[(6-Bromo-1H-imidazo[4,5-b]pyridin-2-yl)sulfanylmethyl]benzonitrile;MM01203;N#Cc1ccccc1CSc1nc2ncc(Br)cc2[nH]1;DEYMHFHACXKPOV-UHFFFAOYSA-N;345.23;3.88;3245059;;;;GIT-0;EPAM;25;;"pH = 7.4, <a href=https://pubchem.ncbi.nlm.nih.gov/bioassay/624339  target=_blank>624339</a>";;;;;;;;;-3.84;;;;;;;;;;;;"AID 624339 - Parallel artificial membrane permeability assay at pH 7.4 - PubChem";"Parallel artificial membrane permeability assay at pH 7.4. National Center for Biotechnology Information. PubChem BioAssay Database; AID=624339, https://pubchem.ncbi.nlm.nih.gov/bioassay/624339"
4-Chloro-3-[(2,5-dimethylphenyl)sulfamoyl]-N-(2-phenylphenyl)benzamide;MM01227;Cc1ccc(C)c(NS(=O)(=O)c2cc(C(=O)Nc3ccccc3-c3ccccc3)ccc2Cl)c1;ZQJTYJZLKBRKPC-UHFFFAOYSA-N;491.01;6.68;2228302;;;;GIT-0;EPAM;25;;"pH = 7.4, <a href=https://pubchem.ncbi.nlm.nih.gov/bioassay/624339  target=_blank>624339</a>";;;;;;;;;-3.6;;;;;;;;;;;;"AID 624339 - Parallel artificial membrane permeability assay at pH 7.4 - PubChem";"Parallel artificial membrane permeability assay at pH 7.4. National Center for Biotechnology Information. PubChem BioAssay Database; AID=624339, https://pubchem.ncbi.nlm.nih.gov/bioassay/624339"
N-(2,3-Dihydro-1,4-benzodioxin-6-yl)-2-(3-methylpiperidin-1-yl)-2-phenylacetamide;MM01200;CC1CCCN(C(C(=O)Nc2ccc3c(c2)OCCO3)c2ccccc2)C1;ZPVUAOURUGLWNO-UHFFFAOYSA-N;366.46;3.87;3240990;;;;GIT-0;EPAM;25;;"pH = 7.4, <a href=https://pubchem.ncbi.nlm.nih.gov/bioassay/624339  target=_blank>624339</a>";;;;;;;;;-2.7;;;;;;;;;;;;"AID 624339 - Parallel artificial membrane permeability assay at pH 7.4 - PubChem";"Parallel artificial membrane permeability assay at pH 7.4. National Center for Biotechnology Information. PubChem BioAssay Database; AID=624339, https://pubchem.ncbi.nlm.nih.gov/bioassay/624339"
2-(2-Methoxyphenyl)-N-[4-[5-(3-methoxyphenyl)-1,2,4-oxadiazol-3-yl]phenyl]acetamide;MM01197;COc1cccc(-c2nc(-c3ccc(NC(=O)Cc4ccccc4OC)cc3)no2)c1;FCERKWLJIGNRPV-UHFFFAOYSA-N;415.45;4.6;3236979;;;;GIT-0;EPAM;25;;"pH = 7.4, <a href=https://pubchem.ncbi.nlm.nih.gov/bioassay/624339  target=_blank>624339</a>";;;;;;;;;-3.06;;;;;;;;;;;;"AID 624339 - Parallel artificial membrane permeability assay at pH 7.4 - PubChem";"Parallel artificial membrane permeability assay at pH 7.4. National Center for Biotechnology Information. PubChem BioAssay Database; AID=624339, https://pubchem.ncbi.nlm.nih.gov/bioassay/624339"
N-[1-(Cyclohexylcarbamoyl)cyclohexyl]-N-(thiophen-2-ylmethyl)pyridine-2-carboxamide;MM01243;O=C(c1ccccn1)N(Cc1cccs1)C1(C(=O)NC2CCCCC2)CCCCC1;FIFDVZFCMSONTO-UHFFFAOYSA-N;425.6;4.94;5236771;;;;GIT-0;EPAM;25;;"pH = 7.4, <a href=https://pubchem.ncbi.nlm.nih.gov/bioassay/624339  target=_blank>624339</a>";;;;;;;;;-2.8;;;;;;;;;;;;"AID 624339 - Parallel artificial membrane permeability assay at pH 7.4 - PubChem";"Parallel artificial membrane permeability assay at pH 7.4. National Center for Biotechnology Information. PubChem BioAssay Database; AID=624339, https://pubchem.ncbi.nlm.nih.gov/bioassay/624339"
"Methyl 2-[(4-fluorobenzoyl)amino]benzoate";MM01244;COC(=O)c1ccccc1NC(=O)c1ccc(F)cc1;KIAPWMKFHIKQOZ-UHFFFAOYSA-N;273.26;2.86;310557;;;;GIT-0;EPAM;25;;"pH = 7.4, <a href=https://pubchem.ncbi.nlm.nih.gov/bioassay/624339  target=_blank>624339</a>";;;;;;;;;-3.2;;;;;;;;;;;;"AID 624339 - Parallel artificial membrane permeability assay at pH 7.4 - PubChem";"Parallel artificial membrane permeability assay at pH 7.4. National Center for Biotechnology Information. PubChem BioAssay Database; AID=624339, https://pubchem.ncbi.nlm.nih.gov/bioassay/624339"
MM495747;MM495747;Cc1cc2c(s1)c1cnn(Cc3ccccc3F)c(=O)c1n2C;IEWYEWDDQWYJLU-UHFFFAOYSA-N;327.38;3.45;654376;;;;GIT-0;EPAM;25;;"pH = 7.4, <a href=https://pubchem.ncbi.nlm.nih.gov/bioassay/624339  target=_blank>624339</a>";;;;;;;;;-3.04;;;;;;;;;;;;"AID 624339 - Parallel artificial membrane permeability assay at pH 7.4 - PubChem";"Parallel artificial membrane permeability assay at pH 7.4. National Center for Biotechnology Information. PubChem BioAssay Database; AID=624339, https://pubchem.ncbi.nlm.nih.gov/bioassay/624339"
1-(2,3-dihydro-1,4-benzodioxin-6-ylsulfonyl)-4-(4-methoxyphenyl)sulfonylpiperazine;MM495748;COc1ccc(S(=O)(=O)N2CCN(S(=O)(=O)c3ccc4c(c3)OCCO4)CC2)cc1;HMGDKYUJSFVHIY-UHFFFAOYSA-N;454.53;1.16;650361;;;;GIT-0;EPAM;25;;"pH = 7.4, <a href=https://pubchem.ncbi.nlm.nih.gov/bioassay/624339  target=_blank>624339</a>";;;;;;;;;-3.25;;;;;;;;;;;;"AID 624339 - Parallel artificial membrane permeability assay at pH 7.4 - PubChem";"Parallel artificial membrane permeability assay at pH 7.4. National Center for Biotechnology Information. PubChem BioAssay Database; AID=624339, https://pubchem.ncbi.nlm.nih.gov/bioassay/624339"
2-Bromo-N-[3-(butanoylamino)phenyl]benzamide;MM01226;CCCC(=O)Nc1cccc(NC(=O)c2ccccc2Br)c1;DFOVLSMXPWPCFH-UHFFFAOYSA-N;361.24;4.44;1048267;;;;GIT-0;EPAM;25;;"pH = 7.4, <a href=https://pubchem.ncbi.nlm.nih.gov/bioassay/624339  target=_blank>624339</a>";;;;;;;;;-3.72;;;;;;;;;;;;"AID 624339 - Parallel artificial membrane permeability assay at pH 7.4 - PubChem";"Parallel artificial membrane permeability assay at pH 7.4. National Center for Biotechnology Information. PubChem BioAssay Database; AID=624339, https://pubchem.ncbi.nlm.nih.gov/bioassay/624339"
4-(4-Benzylpiperidin-1-yl)thieno[2,3-d]pyrimidine;MM01248;c1ccc(CC2CCN(c3ncnc4sccc34)CC2)cc1;AJQCKNBBHOVJGO-UHFFFAOYSA-N;309.44;4.15;2100018;;;;GIT-0;EPAM;25;;"pH = 7.4, <a href=https://pubchem.ncbi.nlm.nih.gov/bioassay/624339  target=_blank>624339</a>";;;;;;;;;-2.99;;;;;;;;;;;;"AID 624339 - Parallel artificial membrane permeability assay at pH 7.4 - PubChem";"Parallel artificial membrane permeability assay at pH 7.4. National Center for Biotechnology Information. PubChem BioAssay Database; AID=624339, https://pubchem.ncbi.nlm.nih.gov/bioassay/624339"
N-[2-[Benzyl(propan-2-yl)amino]ethyl]-4-[[(4-methylphenyl)sulfonylamino]methyl]benzamide;MM01245;Cc1ccc(S(=O)(=O)NCc2ccc(C(=O)NCCN(Cc3ccccc3)C(C)C)cc2)cc1;JEJWQCTZDAJWOX-UHFFFAOYSA-N;479.65;4.11;3342390;;;;GIT-0;EPAM;25;;"pH = 7.4, <a href=https://pubchem.ncbi.nlm.nih.gov/bioassay/624339  target=_blank>624339</a>";;;;;;;;;-2.83;;;;;;;;;;;;"AID 624339 - Parallel artificial membrane permeability assay at pH 7.4 - PubChem";"Parallel artificial membrane permeability assay at pH 7.4. National Center for Biotechnology Information. PubChem BioAssay Database; AID=624339, https://pubchem.ncbi.nlm.nih.gov/bioassay/624339"
N-[(3-Ketobenzothiophen-2-ylidene)amino]-N-(2-methoxyphenyl)acetamide;MM01252;"COc1ccccc1N(/N=C1\Sc2ccccc2C1=O)C(C)=O";QYEYTJAHIFEBPH-UHFFFAOYSA-N;326.38;3.35;5401876;;;;GIT-0;EPAM;25;;"pH = 7.4, <a href=https://pubchem.ncbi.nlm.nih.gov/bioassay/624339  target=_blank>624339</a>";;;;;;;;;-3.08;;;;;;;;;;;;"AID 624339 - Parallel artificial membrane permeability assay at pH 7.4 - PubChem";"Parallel artificial membrane permeability assay at pH 7.4. National Center for Biotechnology Information. PubChem BioAssay Database; AID=624339, https://pubchem.ncbi.nlm.nih.gov/bioassay/624339"
2-[3-Chloro(2-chloroacetyl)-4-methoxyanilino]-N-phenethyl-2-(2-thienyl)acetamide;MM01266;COc1ccc(N(C(=O)CCl)C(C(=O)NCCc2ccccc2)c2cccs2)cc1Cl;UNVKYJSNMVDZJE-UHFFFAOYSA-N;477.41;5.08;3689413;;;;GIT-0;EPAM;25;;"pH = 7.4, <a href=https://pubchem.ncbi.nlm.nih.gov/bioassay/624339  target=_blank>624339</a>";;;;;;;;;-3.25;;;;;;;;;;;;"AID 624339 - Parallel artificial membrane permeability assay at pH 7.4 - PubChem";"Parallel artificial membrane permeability assay at pH 7.4. National Center for Biotechnology Information. PubChem BioAssay Database; AID=624339, https://pubchem.ncbi.nlm.nih.gov/bioassay/624339"
9-(Pyridin-3-yl)-3,4a,5,6,7,8,8a,9-octahydro-2H-5,8-methanothiochromeno[2,3-d][1,3]thiazol-2-one;MM01238;O=c1[nH]c2c(s1)C(c1cccnc1)C1C3CCC(C3)C1S2;RRGJAKVGOZYHOQ-UHFFFAOYSA-N;316.45;3.48;4870494;;;;GIT-0;EPAM;25;;"pH = 7.4, <a href=https://pubchem.ncbi.nlm.nih.gov/bioassay/624339  target=_blank>624339</a>";;;;;;;;;-3.08;;;;;;;;;;;;"AID 624339 - Parallel artificial membrane permeability assay at pH 7.4 - PubChem";"Parallel artificial membrane permeability assay at pH 7.4. National Center for Biotechnology Information. PubChem BioAssay Database; AID=624339, https://pubchem.ncbi.nlm.nih.gov/bioassay/624339"
1-[2-(1-Benzyl-2,5-dimethylpyrrol-3-yl)-2-oxoethyl]pyrrolidine-2,5-dione;MM01195;Cc1cc(C(=O)CN2C(=O)CCC2=O)c(C)n1Cc1ccccc1;JRESCQKIRPOOEM-UHFFFAOYSA-N;324.38;2.48;2113511;;;;GIT-0;EPAM;25;;"pH = 7.4, <a href=https://pubchem.ncbi.nlm.nih.gov/bioassay/624339  target=_blank>624339</a>";;;;;;;;;-3.6;;;;;;;;;;;;"AID 624339 - Parallel artificial membrane permeability assay at pH 7.4 - PubChem";"Parallel artificial membrane permeability assay at pH 7.4. National Center for Biotechnology Information. PubChem BioAssay Database; AID=624339, https://pubchem.ncbi.nlm.nih.gov/bioassay/624339"
"2-[(2-Phenylethyl)thio]nicotinic Acid";MM01205;O=C(O)c1cccnc1SCCc1ccccc1;UZERZZRWECLIKE-UHFFFAOYSA-N;259.33;3.11;888706;;;;GIT-0;EPAM;25;;"pH = 7.4, <a href=https://pubchem.ncbi.nlm.nih.gov/bioassay/624339  target=_blank>624339</a>";;;;;;;;;-4.77;;;;;;;;;;;;"AID 624339 - Parallel artificial membrane permeability assay at pH 7.4 - PubChem";"Parallel artificial membrane permeability assay at pH 7.4. National Center for Biotechnology Information. PubChem BioAssay Database; AID=624339, https://pubchem.ncbi.nlm.nih.gov/bioassay/624339"
4-(1H-Benzimidazol-2-ylmethylsulfanyl)-2-methyl-[1]benzofuro[3,2-d]pyrimidine;MM01190;Cc1nc(SCc2nc3ccccc3[nH]2)c2oc3ccccc3c2n1;FSHFRKKIBVABAJ-UHFFFAOYSA-N;346.42;4.85;664279;;;;GIT-0;EPAM;25;;"pH = 7.4, <a href=https://pubchem.ncbi.nlm.nih.gov/bioassay/624339  target=_blank>624339</a>";;;;;;;;;-3.14;;;;;;;;;;;;"AID 624339 - Parallel artificial membrane permeability assay at pH 7.4 - PubChem";"Parallel artificial membrane permeability assay at pH 7.4. National Center for Biotechnology Information. PubChem BioAssay Database; AID=624339, https://pubchem.ncbi.nlm.nih.gov/bioassay/624339"
2-{4-[(4-Chlorobenzyl)oxy]phenyl}-5-(dimethylamino)-1,3-oxazole-4-carbonitrile;MM01268;CN(C)c1oc(-c2ccc(OCc3ccc(Cl)cc3)cc2)nc1C#N;CMVJGSUPZYIDHO-UHFFFAOYSA-N;353.81;4.51;663459;;;;GIT-0;EPAM;25;;"pH = 7.4, <a href=https://pubchem.ncbi.nlm.nih.gov/bioassay/624339  target=_blank>624339</a>";;;;;;;;;-3.68;;;;;;;;;;;;"AID 624339 - Parallel artificial membrane permeability assay at pH 7.4 - PubChem";"Parallel artificial membrane permeability assay at pH 7.4. National Center for Biotechnology Information. PubChem BioAssay Database; AID=624339, https://pubchem.ncbi.nlm.nih.gov/bioassay/624339"
4-Chloro-N-(2-morpholin-4-ylcyclohexyl)benzenesulfonamide;MM01241;O=S(=O)(NC1CCCCC1N1CCOCC1)c1ccc(Cl)cc1;AYQCZQKMGKDZPS-UHFFFAOYSA-N;358.89;2.26;2911646;;;;GIT-0;EPAM;25;;"pH = 7.4, <a href=https://pubchem.ncbi.nlm.nih.gov/bioassay/624339  target=_blank>624339</a>";;;;;;;;;-3.09;;;;;;;;;;;;"AID 624339 - Parallel artificial membrane permeability assay at pH 7.4 - PubChem";"Parallel artificial membrane permeability assay at pH 7.4. National Center for Biotechnology Information. PubChem BioAssay Database; AID=624339, https://pubchem.ncbi.nlm.nih.gov/bioassay/624339"
1-[2-(3,4-dimethoxyphenyl)ethyl]-6-propyl-2-thioxo-2,3,5,6,7,8-hexahydropyrimido[4,5-d]pyrimidin-4(1H)-one;MM01235;CCCN1CNc2c(c(=O)[nH]c(=S)n2CCc2ccc(OC)c(OC)c2)C1;DNWDRRNPHSEMMW-UHFFFAOYSA-N;390.51;2.76;1512045;;;;GIT-0;EPAM;25;;"pH = 7.4, <a href=https://pubchem.ncbi.nlm.nih.gov/bioassay/624339  target=_blank>624339</a>";;;;;;;;;-4.12;;;;;;;;;;;;"AID 624339 - Parallel artificial membrane permeability assay at pH 7.4 - PubChem";"Parallel artificial membrane permeability assay at pH 7.4. National Center for Biotechnology Information. PubChem BioAssay Database; AID=624339, https://pubchem.ncbi.nlm.nih.gov/bioassay/624339"
MM495749;MM495749;O=c1oc2c(O)c(O)cc3c(=O)oc4c(O)c(O)cc1c4c23;AFSDNFLWKVMVRB-UHFFFAOYSA-N;302.19;1.31;5281855;;;;GIT-0;EPAM;25;;"pH = 7.4, <a href=https://pubchem.ncbi.nlm.nih.gov/bioassay/624339  target=_blank>624339</a>";;;;;;;;;-5.51;;;;;;;;;;;;"AID 624339 - Parallel artificial membrane permeability assay at pH 7.4 - PubChem";"Parallel artificial membrane permeability assay at pH 7.4. National Center for Biotechnology Information. PubChem BioAssay Database; AID=624339, https://pubchem.ncbi.nlm.nih.gov/bioassay/624339"
5-Methoxy-3,6-diphenyl-1,2,4-triazine;MM01247;COc1nc(-c2ccccc2)nnc1-c1ccccc1;YPJMIXQBDVYQRG-UHFFFAOYSA-N;263.3;3.21;6404603;;;;GIT-0;EPAM;25;;"pH = 7.4, <a href=https://pubchem.ncbi.nlm.nih.gov/bioassay/624339  target=_blank>624339</a>";;;;;;;;;-2.91;;;;;;;;;;;;"AID 624339 - Parallel artificial membrane permeability assay at pH 7.4 - PubChem";"Parallel artificial membrane permeability assay at pH 7.4. National Center for Biotechnology Information. PubChem BioAssay Database; AID=624339, https://pubchem.ncbi.nlm.nih.gov/bioassay/624339"
1-{[2-(4-chlorophenyl)-5-methyl-1,3-oxazol-4-yl]methyl}-N-[2-(dipropylamino)ethyl]piperidine-4-carboxamide;MM01250;CCCN(CCC)CCNC(=O)C1CCN(Cc2nc(-c3ccc(Cl)cc3)oc2C)CC1;DJAFUYUUNCOPGL-UHFFFAOYSA-N;461.05;4.75;3240581;;;;GIT-0;EPAM;25;;"pH = 7.4, <a href=https://pubchem.ncbi.nlm.nih.gov/bioassay/624339  target=_blank>624339</a>";;;;;;;;;-2.73;;;;;;;;;;;;"AID 624339 - Parallel artificial membrane permeability assay at pH 7.4 - PubChem";"Parallel artificial membrane permeability assay at pH 7.4. National Center for Biotechnology Information. PubChem BioAssay Database; AID=624339, https://pubchem.ncbi.nlm.nih.gov/bioassay/624339"
MM472151;MM472151;CNC(=O)c1c(-c2ccc(F)cc2)oc2ccc(-c3cc(C(=O)NC4(c5ncccn5)CC4)ccc3C)c(F)c12;LZAUGCMVNLZVJV-UHFFFAOYSA-N;538.55;5.92;59275404;;;CHEMBL4093031;GENER;EPAMOL;25;;"pH = 7.4";;;;;;;;;-4.01;;;;;;;;;;;;"Yeung KS, Beno BR, Parcella K, Bender JA, Grant-Young KA, Nickel A, Gunaga P, Anjanappa P, Bora RO, Selvakumar K, Rigat K, Wang YK, Liu M, Lemm J, Mosure K, Sheriff S, Wan C, Witmer M, Kish K, Hanumegowda U, Zhuo X, Shu YZ, Parker D, Haskell R, Ng A, Gao Q, Colston E, Raybon J, Grasela DM, Santone K, Gao M, Meanwell NA, Sinz M, Soars MG, Knipe JO, Roberts SB, Kadow JF.: Discovery of a Hepatitis C Virus NS5B Replicase Palm Site Allosteric Inhibitor (BMS-929075) Advanced to Phase 1 Clinical Studies. J Med Chem, Volume 60 (10), 2017";"Yeung KS, Beno BR, Parcella K, Bender JA, Grant-Young KA, Nickel A, Gunaga P, Anjanappa P, Bora RO, Selvakumar K, Rigat K, Wang YK, Liu M, Lemm J, Mosure K, Sheriff S, Wan C, Witmer M, Kish K, Hanumegowda U, Zhuo X, Shu YZ, Parker D, Haskell R, Ng A, Gao Q, Colston E, Raybon J, Grasela DM, Santone K, Gao M, Meanwell NA, Sinz M, Soars MG, Knipe JO, Roberts SB, Kadow JF.: Discovery of a Hepatitis C Virus NS5B Replicase Palm Site Allosteric Inhibitor (BMS-929075) Advanced to Phase 1 Clinical Studies. J Med Chem, Volume 60 (10), 2017"
MM472152;MM472152;CNC(=O)c1c(-c2ccc(F)cc2)oc2ccc(-c3cc(C(=O)NC4(c5ncccn5)CC4)ccc3C)cc12;LUIDEMBRIXHMJX-UHFFFAOYSA-N;520.56;5.78;46178246;;;CHEMBL4104000;GENER;EPAMOL;25;;"pH = 7.4";;;;;;;;;-4.11;;;;;;;;;;;;"Yeung KS, Beno BR, Parcella K, Bender JA, Grant-Young KA, Nickel A, Gunaga P, Anjanappa P, Bora RO, Selvakumar K, Rigat K, Wang YK, Liu M, Lemm J, Mosure K, Sheriff S, Wan C, Witmer M, Kish K, Hanumegowda U, Zhuo X, Shu YZ, Parker D, Haskell R, Ng A, Gao Q, Colston E, Raybon J, Grasela DM, Santone K, Gao M, Meanwell NA, Sinz M, Soars MG, Knipe JO, Roberts SB, Kadow JF.: Discovery of a Hepatitis C Virus NS5B Replicase Palm Site Allosteric Inhibitor (BMS-929075) Advanced to Phase 1 Clinical Studies. J Med Chem, Volume 60 (10), 2017";"Yeung KS, Beno BR, Parcella K, Bender JA, Grant-Young KA, Nickel A, Gunaga P, Anjanappa P, Bora RO, Selvakumar K, Rigat K, Wang YK, Liu M, Lemm J, Mosure K, Sheriff S, Wan C, Witmer M, Kish K, Hanumegowda U, Zhuo X, Shu YZ, Parker D, Haskell R, Ng A, Gao Q, Colston E, Raybon J, Grasela DM, Santone K, Gao M, Meanwell NA, Sinz M, Soars MG, Knipe JO, Roberts SB, Kadow JF.: Discovery of a Hepatitis C Virus NS5B Replicase Palm Site Allosteric Inhibitor (BMS-929075) Advanced to Phase 1 Clinical Studies. J Med Chem, Volume 60 (10), 2017"
MM472153;MM472153;CNC(=O)c1c(-c2ccc(F)cc2)oc2ccc(-c3cc(C(=O)NC4(c5ccccn5)CC4)ccc3C)cc12;KCWQOCLBLVNNLJ-UHFFFAOYSA-N;519.58;6.39;59275242;;;CHEMBL4078188;GENER;EPAMOL;25;;"pH = 7.4";;;;;;;;;-4;;;;;;;;;;;;"Yeung KS, Beno BR, Parcella K, Bender JA, Grant-Young KA, Nickel A, Gunaga P, Anjanappa P, Bora RO, Selvakumar K, Rigat K, Wang YK, Liu M, Lemm J, Mosure K, Sheriff S, Wan C, Witmer M, Kish K, Hanumegowda U, Zhuo X, Shu YZ, Parker D, Haskell R, Ng A, Gao Q, Colston E, Raybon J, Grasela DM, Santone K, Gao M, Meanwell NA, Sinz M, Soars MG, Knipe JO, Roberts SB, Kadow JF.: Discovery of a Hepatitis C Virus NS5B Replicase Palm Site Allosteric Inhibitor (BMS-929075) Advanced to Phase 1 Clinical Studies. J Med Chem, Volume 60 (10), 2017";"Yeung KS, Beno BR, Parcella K, Bender JA, Grant-Young KA, Nickel A, Gunaga P, Anjanappa P, Bora RO, Selvakumar K, Rigat K, Wang YK, Liu M, Lemm J, Mosure K, Sheriff S, Wan C, Witmer M, Kish K, Hanumegowda U, Zhuo X, Shu YZ, Parker D, Haskell R, Ng A, Gao Q, Colston E, Raybon J, Grasela DM, Santone K, Gao M, Meanwell NA, Sinz M, Soars MG, Knipe JO, Roberts SB, Kadow JF.: Discovery of a Hepatitis C Virus NS5B Replicase Palm Site Allosteric Inhibitor (BMS-929075) Advanced to Phase 1 Clinical Studies. J Med Chem, Volume 60 (10), 2017"
N-(3,4-Dimethylphenyl)-N'-[(E)-(5-nitrofuran-2-yl)methylideneamino]butanediamide;MM01251;Cc1ccc(NC(=O)CCC(=O)N/N=C/c2ccc([N+](=O)[O-])o2)cc1C;UKQWTRJZFLXIQL-UHFFFAOYSA-N;358.35;2.67;6875690;;;;DOPC;CCM18;25;0;;;;;;;;2.85;;-1.92;;;;;;;;;;;;"in-house calculations";"in-house calculations"
